smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CO[C@@H](C)C[NH+]1CC(NC(=O)[C@H](C)NS(C)(=O)=O)C1 ZINC001421068801 890484903 /nfs/dbraw/zinc/48/49/03/890484903.db2.gz RCQCDJYVCYGXKF-IUCAKERBSA-N 1 2 293.389 -1.241 20 0 CAADLO C[C@@H](F)CC[NH+]1CC(O)(CNC(=O)c2nnn(C)n2)C1 ZINC001421464004 890513350 /nfs/dbraw/zinc/51/33/50/890513350.db2.gz JQVOPZSEDUXUCN-MRVPVSSYSA-N 1 2 286.311 -1.265 20 0 CAADLO O=C(NCC1(O)C[NH+](CCCO)C1)c1csnn1 ZINC001421476383 890514142 /nfs/dbraw/zinc/51/41/42/890514142.db2.gz SWYOHSTVQICDKS-UHFFFAOYSA-N 1 2 272.330 -1.303 20 0 CAADLO CNC(=O)C[N@H+](C)CCN(C)C(=O)c1cnc[nH]c1=O ZINC001422170063 890552763 /nfs/dbraw/zinc/55/27/63/890552763.db2.gz MHZQRFUBBQCMIT-UHFFFAOYSA-N 1 2 281.316 -1.068 20 0 CAADLO CNC(=O)C[N@@H+](C)CCN(C)C(=O)c1cnc[nH]c1=O ZINC001422170063 890552775 /nfs/dbraw/zinc/55/27/75/890552775.db2.gz MHZQRFUBBQCMIT-UHFFFAOYSA-N 1 2 281.316 -1.068 20 0 CAADLO CNC(=O)C[N@H+](C)CCN(C)C(=O)c1c[nH]c(=O)n1C ZINC001422184227 890555078 /nfs/dbraw/zinc/55/50/78/890555078.db2.gz XCIAOAFENMEKLN-UHFFFAOYSA-N 1 2 283.332 -1.125 20 0 CAADLO CNC(=O)C[N@@H+](C)CCN(C)C(=O)c1c[nH]c(=O)n1C ZINC001422184227 890555091 /nfs/dbraw/zinc/55/50/91/890555091.db2.gz XCIAOAFENMEKLN-UHFFFAOYSA-N 1 2 283.332 -1.125 20 0 CAADLO C[C@H](C[NH2+]Cc1csnn1)NC(=O)Cn1cnnn1 ZINC001422453078 890590696 /nfs/dbraw/zinc/59/06/96/890590696.db2.gz IDWMSWJLEBMDIN-SSDOTTSWSA-N 1 2 282.333 -1.181 20 0 CAADLO C[C@H](C[NH2+]Cc1csnn1)NC(=O)[C@@H]1CNC(=O)N1 ZINC001422546586 890600489 /nfs/dbraw/zinc/60/04/89/890600489.db2.gz AJMYEKGYAGRQFY-SVRRBLITSA-N 1 2 284.345 -1.186 20 0 CAADLO Cn1c[nH+]cc1CC(=O)NC1(CCO)CN(CCO)C1 ZINC001422652050 890606181 /nfs/dbraw/zinc/60/61/81/890606181.db2.gz ORHXRGSWXPFUMB-UHFFFAOYSA-N 1 2 282.344 -1.492 20 0 CAADLO CNC(=O)NCC(=O)NC[C@H]1CC[N@@H+]1[C@H]1CCNC1=O ZINC001423093439 890626706 /nfs/dbraw/zinc/62/67/06/890626706.db2.gz OCKNGBFRAYRMMX-BDAKNGLRSA-N 1 2 283.332 -2.006 20 0 CAADLO CNC(=O)NCC(=O)NC[C@H]1CC[N@H+]1[C@H]1CCNC1=O ZINC001423093439 890626716 /nfs/dbraw/zinc/62/67/16/890626716.db2.gz OCKNGBFRAYRMMX-BDAKNGLRSA-N 1 2 283.332 -2.006 20 0 CAADLO Cn1cnnc1C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCCO1 ZINC001423193974 890638288 /nfs/dbraw/zinc/63/82/88/890638288.db2.gz LDYFDETUARMPSA-ZJUUUORDSA-N 1 2 283.332 -1.439 20 0 CAADLO CC[C@H](OC)C(=O)NC[C@H](CO)[NH2+]Cc1cn(C)nn1 ZINC001423207412 890641064 /nfs/dbraw/zinc/64/10/64/890641064.db2.gz PCWZJEDAYOGEGU-MNOVXSKESA-N 1 2 285.348 -1.193 20 0 CAADLO CC[C@@H](NC(C)=O)C(=O)NCC1(O)C[NH+](CCCO)C1 ZINC001423877295 890711370 /nfs/dbraw/zinc/71/13/70/890711370.db2.gz JMYBCVVJSWJRIZ-LLVKDONJSA-N 1 2 287.360 -1.554 20 0 CAADLO COCC[N@H+](CCNC(=O)C1CC1)CC(=O)NC(N)=O ZINC001426159594 890854043 /nfs/dbraw/zinc/85/40/43/890854043.db2.gz IYHPDXUIGJXNFS-UHFFFAOYSA-N 1 2 286.332 -1.344 20 0 CAADLO COCC[N@@H+](CCNC(=O)C1CC1)CC(=O)NC(N)=O ZINC001426159594 890854058 /nfs/dbraw/zinc/85/40/58/890854058.db2.gz IYHPDXUIGJXNFS-UHFFFAOYSA-N 1 2 286.332 -1.344 20 0 CAADLO COCC(=O)NC[C@@H](O)CNC(=O)CCc1c[nH]c[nH+]1 ZINC001433227826 891018944 /nfs/dbraw/zinc/01/89/44/891018944.db2.gz ZNNYVJQBUWUXCW-JTQLQIEISA-N 1 2 284.316 -1.418 20 0 CAADLO COCC(=O)NC[C@@H](O)CNC(=O)CCc1c[nH+]c[nH]1 ZINC001433227826 891018955 /nfs/dbraw/zinc/01/89/55/891018955.db2.gz ZNNYVJQBUWUXCW-JTQLQIEISA-N 1 2 284.316 -1.418 20 0 CAADLO O=C(N1CCO[C@H](C[NH+]2CCOCC2)C1)C1(O)COC1 ZINC001434237940 891091183 /nfs/dbraw/zinc/09/11/83/891091183.db2.gz QCUAXXOXZGADBL-LLVKDONJSA-N 1 2 286.328 -1.693 20 0 CAADLO C[C@@H]1CO[C@@H](CO)CN1S(=O)(=O)N1CC[NH+](C)CC1 ZINC001434553853 891127700 /nfs/dbraw/zinc/12/77/00/891127700.db2.gz VCHXHGKDUSMQSN-GHMZBOCLSA-N 1 2 293.389 -1.440 20 0 CAADLO C[C@@H](NS(=O)(=O)N1CC[NH+](C)CC1)c1ncnn1C ZINC001434568046 891127051 /nfs/dbraw/zinc/12/70/51/891127051.db2.gz SAWMRPBDCDTUQZ-SECBINFHSA-N 1 2 288.377 -1.042 20 0 CAADLO O=S(=O)(CCn1cc[nH+]c1)NCCn1ncnn1 ZINC001434556688 891128301 /nfs/dbraw/zinc/12/83/01/891128301.db2.gz KRTMWGCISHXVQV-UHFFFAOYSA-N 1 2 271.306 -1.511 20 0 CAADLO C[C@H]1OCC[C@]1(O)CNS(=O)(=O)N1CC[NH+](C)CC1 ZINC001434567215 891128348 /nfs/dbraw/zinc/12/83/48/891128348.db2.gz GUGIUMRIFIFIAI-MNOVXSKESA-N 1 2 293.389 -1.392 20 0 CAADLO O=S(=O)(CCC[NH+]1CCOCC1)N[C@@H]1COC[C@@H]1O ZINC001434585525 891131027 /nfs/dbraw/zinc/13/10/27/891131027.db2.gz CVPHSNYBXPJMPX-MNOVXSKESA-N 1 2 294.373 -1.612 20 0 CAADLO C[C@H]1C(=O)NCCCN1S(=O)(=O)N1CC[NH+](C)CC1 ZINC001434653821 891133249 /nfs/dbraw/zinc/13/32/49/891133249.db2.gz INDGNMLDQQZXCM-JTQLQIEISA-N 1 2 290.389 -1.311 20 0 CAADLO CC(=O)NCC[NH+]1CCN(CCN2CCNC2=O)CC1 ZINC001436697717 891153058 /nfs/dbraw/zinc/15/30/58/891153058.db2.gz DSXJESSVJSYFCS-UHFFFAOYSA-N 1 2 283.376 -1.235 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cc2cc[nH]n2)C1 ZINC001010404453 884009839 /nfs/dbraw/zinc/00/98/39/884009839.db2.gz KFPPHMLZFVWYPA-SNVBAGLBSA-N 1 2 265.317 -1.111 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)Cc2cc[nH]n2)C1 ZINC001010404453 884009853 /nfs/dbraw/zinc/00/98/53/884009853.db2.gz KFPPHMLZFVWYPA-SNVBAGLBSA-N 1 2 265.317 -1.111 20 0 CAADLO C[C@H](CC(=O)N[C@@H]1C[N@H+](CCF)C[C@H]1O)NC(N)=O ZINC001192940548 884070496 /nfs/dbraw/zinc/07/04/96/884070496.db2.gz OKPLNAHYBLIJMH-IWSPIJDZSA-N 1 2 276.312 -1.436 20 0 CAADLO C[C@H](CC(=O)N[C@@H]1C[N@@H+](CCF)C[C@H]1O)NC(N)=O ZINC001192940548 884070512 /nfs/dbraw/zinc/07/05/12/884070512.db2.gz OKPLNAHYBLIJMH-IWSPIJDZSA-N 1 2 276.312 -1.436 20 0 CAADLO NC(=O)CC(=O)NC[C@@H]1C[N@H+](CC(N)=O)CCC1(F)F ZINC001278740878 884108565 /nfs/dbraw/zinc/10/85/65/884108565.db2.gz JKYGJWJNWASFDT-SSDOTTSWSA-N 1 2 292.286 -1.580 20 0 CAADLO NC(=O)CC(=O)NC[C@@H]1C[N@@H+](CC(N)=O)CCC1(F)F ZINC001278740878 884108572 /nfs/dbraw/zinc/10/85/72/884108572.db2.gz JKYGJWJNWASFDT-SSDOTTSWSA-N 1 2 292.286 -1.580 20 0 CAADLO C[C@]1(CO)C[C@@H](O)C[N@@H+]1Cc1cn(CC(N)=O)nn1 ZINC001308873054 884130830 /nfs/dbraw/zinc/13/08/30/884130830.db2.gz WALSMHHBXHPHNS-MWLCHTKSSA-N 1 2 269.305 -1.919 20 0 CAADLO C[C@]1(CO)C[C@@H](O)C[N@H+]1Cc1cn(CC(N)=O)nn1 ZINC001308873054 884130832 /nfs/dbraw/zinc/13/08/32/884130832.db2.gz WALSMHHBXHPHNS-MWLCHTKSSA-N 1 2 269.305 -1.919 20 0 CAADLO CN1CC[N@H+](CCCOC(=O)NC(N)=O)C[C@H]1CO ZINC001307990943 884128858 /nfs/dbraw/zinc/12/88/58/884128858.db2.gz ZYJAPIGKQMENTB-VIFPVBQESA-N 1 2 274.321 -1.210 20 0 CAADLO CN1CC[N@@H+](CCCOC(=O)NC(N)=O)C[C@H]1CO ZINC001307990943 884128866 /nfs/dbraw/zinc/12/88/66/884128866.db2.gz ZYJAPIGKQMENTB-VIFPVBQESA-N 1 2 274.321 -1.210 20 0 CAADLO NC(=O)C(=O)N[C@H]1CCC[N@H+](CCNC(=O)C2CC2)C1 ZINC001316948655 884156016 /nfs/dbraw/zinc/15/60/16/884156016.db2.gz HHKVLFJWGBTMGM-JTQLQIEISA-N 1 2 282.344 -1.422 20 0 CAADLO NC(=O)C(=O)N[C@H]1CCC[N@@H+](CCNC(=O)C2CC2)C1 ZINC001316948655 884156028 /nfs/dbraw/zinc/15/60/28/884156028.db2.gz HHKVLFJWGBTMGM-JTQLQIEISA-N 1 2 282.344 -1.422 20 0 CAADLO CC[C@@H](C(N)=O)[NH+]1CCN(CCNC(=O)C(N)=O)CC1 ZINC001316967066 884162922 /nfs/dbraw/zinc/16/29/22/884162922.db2.gz PMXWIRPIVJSFJZ-VIFPVBQESA-N 1 2 285.348 -2.531 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)CCCCNC(N)=O)C1 ZINC001316982050 884163093 /nfs/dbraw/zinc/16/30/93/884163093.db2.gz ZHHGLCMZPJPLCL-SECBINFHSA-N 1 2 285.348 -1.499 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)CCCCNC(N)=O)C1 ZINC001316982050 884163103 /nfs/dbraw/zinc/16/31/03/884163103.db2.gz ZHHGLCMZPJPLCL-SECBINFHSA-N 1 2 285.348 -1.499 20 0 CAADLO C[C@@H](CNC(=O)[C@@H]1CCC(=O)N1)[NH2+]Cc1cnon1 ZINC001317279856 884184123 /nfs/dbraw/zinc/18/41/23/884184123.db2.gz NQRNFVCEXVJMQW-CBAPKCEASA-N 1 2 267.289 -1.058 20 0 CAADLO NC(=O)C(=O)NCC[N@H+](CC(=O)NC1CC1)C1CC1 ZINC001317556303 884212401 /nfs/dbraw/zinc/21/24/01/884212401.db2.gz FJQGWWSYDNDBOW-UHFFFAOYSA-N 1 2 268.317 -1.669 20 0 CAADLO NC(=O)C(=O)NCC[N@@H+](CC(=O)NC1CC1)C1CC1 ZINC001317556303 884212422 /nfs/dbraw/zinc/21/24/22/884212422.db2.gz FJQGWWSYDNDBOW-UHFFFAOYSA-N 1 2 268.317 -1.669 20 0 CAADLO O=C(N[C@H]1CC[N@@H+](CCOCCO)C1)c1nc[nH]n1 ZINC001318291464 884266072 /nfs/dbraw/zinc/26/60/72/884266072.db2.gz NXJZLVVJNIBJPH-VIFPVBQESA-N 1 2 269.305 -1.382 20 0 CAADLO O=C(N[C@H]1CC[N@H+](CCOCCO)C1)c1nc[nH]n1 ZINC001318291464 884266083 /nfs/dbraw/zinc/26/60/83/884266083.db2.gz NXJZLVVJNIBJPH-VIFPVBQESA-N 1 2 269.305 -1.382 20 0 CAADLO C[NH+]1CCN(CC(=O)N2CCS(=O)CC2)CC1 ZINC001318717239 884292543 /nfs/dbraw/zinc/29/25/43/884292543.db2.gz LUJPMWFFMHPBNF-UHFFFAOYSA-N 1 2 259.375 -1.175 20 0 CAADLO CNS(=O)(=O)CC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC001319125209 884312177 /nfs/dbraw/zinc/31/21/77/884312177.db2.gz DNKXQQMMHYEUPD-QMMMGPOBSA-N 1 2 260.319 -1.063 20 0 CAADLO NC(=O)C(=O)NC[C@@H]1C[N@H+](CCOCCO)CCO1 ZINC001319318450 884321999 /nfs/dbraw/zinc/32/19/99/884321999.db2.gz KBBNVSPEYGXJGO-SECBINFHSA-N 1 2 275.305 -2.702 20 0 CAADLO NC(=O)C(=O)NC[C@@H]1C[N@@H+](CCOCCO)CCO1 ZINC001319318450 884322016 /nfs/dbraw/zinc/32/20/16/884322016.db2.gz KBBNVSPEYGXJGO-SECBINFHSA-N 1 2 275.305 -2.702 20 0 CAADLO CC(C)(O)CC(=O)NC[C@H]1C[N@H+](CCO)CCO1 ZINC001319305854 884322871 /nfs/dbraw/zinc/32/28/71/884322871.db2.gz PTSOAIXDLHEMOX-JTQLQIEISA-N 1 2 260.334 -1.043 20 0 CAADLO CC(C)(O)CC(=O)NC[C@H]1C[N@@H+](CCO)CCO1 ZINC001319305854 884322889 /nfs/dbraw/zinc/32/28/89/884322889.db2.gz PTSOAIXDLHEMOX-JTQLQIEISA-N 1 2 260.334 -1.043 20 0 CAADLO NC(=O)C(=O)NC[C@@H]1C[N@H+](CCOCC2CC2)CCO1 ZINC001319319408 884324268 /nfs/dbraw/zinc/32/42/68/884324268.db2.gz QWVUGJNORPUYLX-LLVKDONJSA-N 1 2 285.344 -1.285 20 0 CAADLO NC(=O)C(=O)NC[C@@H]1C[N@@H+](CCOCC2CC2)CCO1 ZINC001319319408 884324285 /nfs/dbraw/zinc/32/42/85/884324285.db2.gz QWVUGJNORPUYLX-LLVKDONJSA-N 1 2 285.344 -1.285 20 0 CAADLO Cc1noc(C[NH2+]C[C@H](C)N(C)C(=O)C(N)=O)n1 ZINC001319525849 884335291 /nfs/dbraw/zinc/33/52/91/884335291.db2.gz SBFADDRFJHZHBM-LURJTMIESA-N 1 2 255.278 -1.200 20 0 CAADLO O=C(CO[C@H]1CCOC1)NC[C@H]1C[NH+]2CCN1CC2 ZINC001319982124 884367181 /nfs/dbraw/zinc/36/71/81/884367181.db2.gz PQGLUQBNSDRNQQ-RYUDHWBXSA-N 1 2 269.345 -1.092 20 0 CAADLO O=C1NC[C@@H]2C[N@@H+]([C@H]3CCC(=O)NC3=O)CCN12 ZINC001320389863 884420350 /nfs/dbraw/zinc/42/03/50/884420350.db2.gz OJAZDZXSPDYSAN-SFYZADRCSA-N 1 2 252.274 -1.499 20 0 CAADLO O=C1NC[C@@H]2C[N@H+]([C@H]3CCC(=O)NC3=O)CCN12 ZINC001320389863 884420357 /nfs/dbraw/zinc/42/03/57/884420357.db2.gz OJAZDZXSPDYSAN-SFYZADRCSA-N 1 2 252.274 -1.499 20 0 CAADLO CNC(=O)[C@H](C)[N@H+](C)C[C@@H](C)NC(=O)c1cn[nH]n1 ZINC001322191102 884541803 /nfs/dbraw/zinc/54/18/03/884541803.db2.gz AAFFLJOLEOJWMC-SFYZADRCSA-N 1 2 268.321 -1.011 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+](C)C[C@@H](C)NC(=O)c1cn[nH]n1 ZINC001322191102 884541811 /nfs/dbraw/zinc/54/18/11/884541811.db2.gz AAFFLJOLEOJWMC-SFYZADRCSA-N 1 2 268.321 -1.011 20 0 CAADLO CNC(=O)[C@H](C)[N@H+](C)C[C@@H](C)NC(=O)c1cnn[nH]1 ZINC001322191102 884541818 /nfs/dbraw/zinc/54/18/18/884541818.db2.gz AAFFLJOLEOJWMC-SFYZADRCSA-N 1 2 268.321 -1.011 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+](C)C[C@@H](C)NC(=O)c1cnn[nH]1 ZINC001322191102 884541829 /nfs/dbraw/zinc/54/18/29/884541829.db2.gz AAFFLJOLEOJWMC-SFYZADRCSA-N 1 2 268.321 -1.011 20 0 CAADLO C[C@H](C[N@H+](C)[C@@H]1CCNC1=O)NC(=O)c1cn[nH]n1 ZINC001322192247 884542095 /nfs/dbraw/zinc/54/20/95/884542095.db2.gz GGTUVEVCRBDLTR-VXNVDRBHSA-N 1 2 266.305 -1.257 20 0 CAADLO C[C@H](C[N@@H+](C)[C@@H]1CCNC1=O)NC(=O)c1cn[nH]n1 ZINC001322192247 884542099 /nfs/dbraw/zinc/54/20/99/884542099.db2.gz GGTUVEVCRBDLTR-VXNVDRBHSA-N 1 2 266.305 -1.257 20 0 CAADLO C[C@H](C[N@H+](C)[C@@H]1CCNC1=O)NC(=O)c1cnn[nH]1 ZINC001322192247 884542110 /nfs/dbraw/zinc/54/21/10/884542110.db2.gz GGTUVEVCRBDLTR-VXNVDRBHSA-N 1 2 266.305 -1.257 20 0 CAADLO C[C@H](C[N@@H+](C)[C@@H]1CCNC1=O)NC(=O)c1cnn[nH]1 ZINC001322192247 884542114 /nfs/dbraw/zinc/54/21/14/884542114.db2.gz GGTUVEVCRBDLTR-VXNVDRBHSA-N 1 2 266.305 -1.257 20 0 CAADLO CN(C(=O)C(C)(C)C(N)=O)C1C[NH+](CCOCCO)C1 ZINC001323947238 884645075 /nfs/dbraw/zinc/64/50/75/884645075.db2.gz YNXULFBWJPHJMU-UHFFFAOYSA-N 1 2 287.360 -1.351 20 0 CAADLO CNS(=O)(=O)C1CC[NH+]([C@@H]2CCNC2=O)CC1 ZINC001324459284 884671983 /nfs/dbraw/zinc/67/19/83/884671983.db2.gz HBZBZHJJBQGRBL-SECBINFHSA-N 1 2 261.347 -1.112 20 0 CAADLO NC(=O)C(=O)NCC1([NH2+]Cc2cnsn2)CCOCC1 ZINC001325019255 884701473 /nfs/dbraw/zinc/70/14/73/884701473.db2.gz ZIQPHUFXJSBNCU-UHFFFAOYSA-N 1 2 299.356 -1.222 20 0 CAADLO CN(CC[NH+](C)C)C(=O)C(=O)NCCS(C)(=O)=O ZINC001325771877 884741432 /nfs/dbraw/zinc/74/14/32/884741432.db2.gz SZGBTGGCGKPZCT-UHFFFAOYSA-N 1 2 279.362 -1.833 20 0 CAADLO COC(=O)[C@@H](Cn1cc[nH+]c1)NC(=O)c1cn[nH]n1 ZINC001326205433 884774293 /nfs/dbraw/zinc/77/42/93/884774293.db2.gz XOQLJNVUCYGYLY-MRVPVSSYSA-N 1 2 264.245 -1.027 20 0 CAADLO C[C@@H]([NH3+])[C@@H](C)NC(=O)Cn1[nH]cc2c(=O)ncnc1-2 ZINC001326289334 884781438 /nfs/dbraw/zinc/78/14/38/884781438.db2.gz RLTWHYKXAABPKZ-RNFRBKRXSA-N 1 2 264.289 -1.077 20 0 CAADLO CC[N@@H+]1CCOC[C@H]1CNC(=O)Cn1cnnn1 ZINC001326610733 884814974 /nfs/dbraw/zinc/81/49/74/884814974.db2.gz GBINLZSZFYTHEU-SECBINFHSA-N 1 2 254.294 -1.490 20 0 CAADLO CC[N@H+]1CCOC[C@H]1CNC(=O)Cn1cnnn1 ZINC001326610733 884814978 /nfs/dbraw/zinc/81/49/78/884814978.db2.gz GBINLZSZFYTHEU-SECBINFHSA-N 1 2 254.294 -1.490 20 0 CAADLO COC(=O)[C@@H]([NH3+])Cc1cn(-c2cnnn2C)nn1 ZINC001326917634 884847350 /nfs/dbraw/zinc/84/73/50/884847350.db2.gz KGTKOTKSGLAHBZ-ZETCQYMHSA-N 1 2 251.250 -1.561 20 0 CAADLO O=C1CC[C@@H](C[N@@H+]2CCN3C(=O)NC(=O)[C@H]3C2)N1 ZINC001327221226 884871631 /nfs/dbraw/zinc/87/16/31/884871631.db2.gz CLSKVWCJXUMUOH-JGVFFNPUSA-N 1 2 252.274 -1.499 20 0 CAADLO O=C1CC[C@@H](C[N@H+]2CCN3C(=O)NC(=O)[C@H]3C2)N1 ZINC001327221226 884871651 /nfs/dbraw/zinc/87/16/51/884871651.db2.gz CLSKVWCJXUMUOH-JGVFFNPUSA-N 1 2 252.274 -1.499 20 0 CAADLO Cc1nn[nH]c1C(=O)N(C)CCC[N@H+](C)CC(N)=O ZINC001327245186 884872614 /nfs/dbraw/zinc/87/26/14/884872614.db2.gz HCHSJTFBVYRDRG-UHFFFAOYSA-N 1 2 268.321 -1.008 20 0 CAADLO Cc1nn[nH]c1C(=O)N(C)CCC[N@@H+](C)CC(N)=O ZINC001327245186 884872626 /nfs/dbraw/zinc/87/26/26/884872626.db2.gz HCHSJTFBVYRDRG-UHFFFAOYSA-N 1 2 268.321 -1.008 20 0 CAADLO CCN1C[C@H](C[N@@H+]2C[C@H](O)C[C@H]2C(N)=O)OC1=O ZINC001328758446 885019525 /nfs/dbraw/zinc/01/95/25/885019525.db2.gz VHWKHAZLIDJBJE-HLTSFMKQSA-N 1 2 257.290 -1.252 20 0 CAADLO CCN1C[C@H](C[N@H+]2C[C@H](O)C[C@H]2C(N)=O)OC1=O ZINC001328758446 885019548 /nfs/dbraw/zinc/01/95/48/885019548.db2.gz VHWKHAZLIDJBJE-HLTSFMKQSA-N 1 2 257.290 -1.252 20 0 CAADLO CCN1C[C@@H](C[N@@H+]2C[C@H](O)C[C@H]2C(N)=O)OC1=O ZINC001328758448 885020474 /nfs/dbraw/zinc/02/04/74/885020474.db2.gz VHWKHAZLIDJBJE-VGMNWLOBSA-N 1 2 257.290 -1.252 20 0 CAADLO CCN1C[C@@H](C[N@H+]2C[C@H](O)C[C@H]2C(N)=O)OC1=O ZINC001328758448 885020492 /nfs/dbraw/zinc/02/04/92/885020492.db2.gz VHWKHAZLIDJBJE-VGMNWLOBSA-N 1 2 257.290 -1.252 20 0 CAADLO NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)CCn1cc[nH+]c1 ZINC001329536962 885114941 /nfs/dbraw/zinc/11/49/41/885114941.db2.gz GFRBONZLSXEKAV-BDAKNGLRSA-N 1 2 252.274 -1.280 20 0 CAADLO C[C@@H](CNC(=O)c1cn[nH]n1)[N@H+](C)CC(=O)N(C)C ZINC001329486002 885111582 /nfs/dbraw/zinc/11/15/82/885111582.db2.gz HMCRWWMBUCVCGA-QMMMGPOBSA-N 1 2 268.321 -1.057 20 0 CAADLO C[C@@H](CNC(=O)c1cn[nH]n1)[N@@H+](C)CC(=O)N(C)C ZINC001329486002 885111590 /nfs/dbraw/zinc/11/15/90/885111590.db2.gz HMCRWWMBUCVCGA-QMMMGPOBSA-N 1 2 268.321 -1.057 20 0 CAADLO C[C@@H](CNC(=O)c1cnn[nH]1)[N@H+](C)CC(=O)N(C)C ZINC001329486002 885111599 /nfs/dbraw/zinc/11/15/99/885111599.db2.gz HMCRWWMBUCVCGA-QMMMGPOBSA-N 1 2 268.321 -1.057 20 0 CAADLO C[C@@H](CNC(=O)c1cnn[nH]1)[N@@H+](C)CC(=O)N(C)C ZINC001329486002 885111609 /nfs/dbraw/zinc/11/16/09/885111609.db2.gz HMCRWWMBUCVCGA-QMMMGPOBSA-N 1 2 268.321 -1.057 20 0 CAADLO Cn1nnc(CNC(=O)/C=C\C[NH+]2CCOCC2)n1 ZINC001329551265 885113978 /nfs/dbraw/zinc/11/39/78/885113978.db2.gz DYXNQFXUPBRKNK-IHWYPQMZSA-N 1 2 266.305 -1.285 20 0 CAADLO C[C@H]1C[N@H+](CCO)CCN1C(=O)CCc1nn[nH]n1 ZINC001329526392 885114703 /nfs/dbraw/zinc/11/47/03/885114703.db2.gz LWKYUPKKMWSQEU-VIFPVBQESA-N 1 2 268.321 -1.343 20 0 CAADLO C[C@H]1C[N@@H+](CCO)CCN1C(=O)CCc1nn[nH]n1 ZINC001329526392 885114707 /nfs/dbraw/zinc/11/47/07/885114707.db2.gz LWKYUPKKMWSQEU-VIFPVBQESA-N 1 2 268.321 -1.343 20 0 CAADLO CN(C)[C@@H](C(=O)N(C)CC(N)=O)c1c[nH+]cn1C ZINC001329608938 885119412 /nfs/dbraw/zinc/11/94/12/885119412.db2.gz YHDLQNBEMOVJFS-SNVBAGLBSA-N 1 2 253.306 -1.034 20 0 CAADLO O=C(NCC[N@H+]1CC[C@@H](O)C1)C1CS(=O)(=O)C1 ZINC001329594507 885120714 /nfs/dbraw/zinc/12/07/14/885120714.db2.gz QTSRCFPRBUSAMU-SECBINFHSA-N 1 2 262.331 -1.786 20 0 CAADLO O=C(NCC[N@@H+]1CC[C@@H](O)C1)C1CS(=O)(=O)C1 ZINC001329594507 885120723 /nfs/dbraw/zinc/12/07/23/885120723.db2.gz QTSRCFPRBUSAMU-SECBINFHSA-N 1 2 262.331 -1.786 20 0 CAADLO C[C@H]1NC(=O)N(CC[N@@H+]2CCO[C@@H](CC(N)=O)C2)C1=O ZINC001329929152 885155375 /nfs/dbraw/zinc/15/53/75/885155375.db2.gz JEUYHCJMJBVFLD-BDAKNGLRSA-N 1 2 284.316 -1.497 20 0 CAADLO C[C@H]1NC(=O)N(CC[N@H+]2CCO[C@@H](CC(N)=O)C2)C1=O ZINC001329929152 885155383 /nfs/dbraw/zinc/15/53/83/885155383.db2.gz JEUYHCJMJBVFLD-BDAKNGLRSA-N 1 2 284.316 -1.497 20 0 CAADLO C[C@@H]1NC(=O)N(CC[N@@H+]2CCO[C@H](CC(N)=O)C2)C1=O ZINC001329929157 885156592 /nfs/dbraw/zinc/15/65/92/885156592.db2.gz JEUYHCJMJBVFLD-DTWKUNHWSA-N 1 2 284.316 -1.497 20 0 CAADLO C[C@@H]1NC(=O)N(CC[N@H+]2CCO[C@H](CC(N)=O)C2)C1=O ZINC001329929157 885156605 /nfs/dbraw/zinc/15/66/05/885156605.db2.gz JEUYHCJMJBVFLD-DTWKUNHWSA-N 1 2 284.316 -1.497 20 0 CAADLO CN1CC(C(=O)NCC[N@@H+]2CC[C@@H](O)C2)=NC1=O ZINC001330149139 885179738 /nfs/dbraw/zinc/17/97/38/885179738.db2.gz FXLRRNYNFCBPSX-MRVPVSSYSA-N 1 2 254.290 -1.078 20 0 CAADLO CN1CC(C(=O)NCC[N@H+]2CC[C@@H](O)C2)=NC1=O ZINC001330149139 885179748 /nfs/dbraw/zinc/17/97/48/885179748.db2.gz FXLRRNYNFCBPSX-MRVPVSSYSA-N 1 2 254.290 -1.078 20 0 CAADLO COCC[C@@H](NC(=O)/C=C\C[NH+]1CCOCC1)C(N)=O ZINC001330380258 885191915 /nfs/dbraw/zinc/19/19/15/885191915.db2.gz VMFIJERIFNKFTE-OTDNITJGSA-N 1 2 285.344 -1.119 20 0 CAADLO O=C1NC(=O)[C@]2(CCC[N@H+](Cc3nnc[nH]3)C2)N1 ZINC001330568054 885208091 /nfs/dbraw/zinc/20/80/91/885208091.db2.gz RNLDZRXQLWTQHW-SNVBAGLBSA-N 1 2 250.262 -1.021 20 0 CAADLO O=C1NC(=O)[C@]2(CCC[N@@H+](Cc3nnc[nH]3)C2)N1 ZINC001330568054 885208105 /nfs/dbraw/zinc/20/81/05/885208105.db2.gz RNLDZRXQLWTQHW-SNVBAGLBSA-N 1 2 250.262 -1.021 20 0 CAADLO Cn1nnc(C(=O)NCCC[NH+]2CCOCC2)n1 ZINC001330659294 885218138 /nfs/dbraw/zinc/21/81/38/885218138.db2.gz YDVGZEIYTIVDNC-UHFFFAOYSA-N 1 2 254.294 -1.338 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CC(=O)N2)C1 ZINC001330885330 885236606 /nfs/dbraw/zinc/23/66/06/885236606.db2.gz HJVYZCZIWLWZQN-SFYZADRCSA-N 1 2 254.290 -2.059 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CC(=O)N2)C1 ZINC001330885330 885236621 /nfs/dbraw/zinc/23/66/21/885236621.db2.gz HJVYZCZIWLWZQN-SFYZADRCSA-N 1 2 254.290 -2.059 20 0 CAADLO COCC(=O)NC[C@H](CO)[NH2+]Cc1cn(C)nn1 ZINC001331662305 885305384 /nfs/dbraw/zinc/30/53/84/885305384.db2.gz GWHKZFMGINJLHJ-SECBINFHSA-N 1 2 257.294 -1.972 20 0 CAADLO Cc1nc(C[NH2+][C@@H](CO)CNC(=O)C(N)=O)cs1 ZINC001331775364 885343846 /nfs/dbraw/zinc/34/38/46/885343846.db2.gz SSGMDVSCXNABEC-SSDOTTSWSA-N 1 2 272.330 -1.496 20 0 CAADLO C[N@@H+]1CCN(C(=O)c2cc(CO)on2)[C@H](CO)C1 ZINC001332258344 885394043 /nfs/dbraw/zinc/39/40/43/885394043.db2.gz GOLCUYSAFOZUSY-QMMMGPOBSA-N 1 2 255.274 -1.085 20 0 CAADLO C[N@H+]1CCN(C(=O)c2cc(CO)on2)[C@H](CO)C1 ZINC001332258344 885394063 /nfs/dbraw/zinc/39/40/63/885394063.db2.gz GOLCUYSAFOZUSY-QMMMGPOBSA-N 1 2 255.274 -1.085 20 0 CAADLO Cn1c[nH+]cc1CNC(=O)CN1CC(=O)N(C)C1=O ZINC001332914605 885447203 /nfs/dbraw/zinc/44/72/03/885447203.db2.gz QIBJYSYXRIRATC-UHFFFAOYSA-N 1 2 265.273 -1.070 20 0 CAADLO COCC[N@@H+](CCNC(=O)[C@@H]1CCNC1=O)CC(N)=O ZINC001332922709 885447633 /nfs/dbraw/zinc/44/76/33/885447633.db2.gz JVTHZLNUAYAWBM-SECBINFHSA-N 1 2 286.332 -2.328 20 0 CAADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)C[C@@H]1CC(=O)NC1=O ZINC001333238511 885463435 /nfs/dbraw/zinc/46/34/35/885463435.db2.gz NUQWSIQKCGLJPW-NXEZZACHSA-N 1 2 283.328 -1.124 20 0 CAADLO C[C@@H]1COCC[N@H+]1CCNC(=O)C[C@@H]1CC(=O)NC1=O ZINC001333238511 885463446 /nfs/dbraw/zinc/46/34/46/885463446.db2.gz NUQWSIQKCGLJPW-NXEZZACHSA-N 1 2 283.328 -1.124 20 0 CAADLO OC[C@@H](O)CN1CC[NH+](CCc2cnccn2)CC1 ZINC001333187702 885463584 /nfs/dbraw/zinc/46/35/84/885463584.db2.gz FOBUMJSVRYIOFZ-ZDUSSCGKSA-N 1 2 266.345 -1.010 20 0 CAADLO Cn1ncc(Cn2cc(C[N@H+](C)CCO)nn2)n1 ZINC001333123061 885460518 /nfs/dbraw/zinc/46/05/18/885460518.db2.gz VKMALSUKEZWAEX-UHFFFAOYSA-N 1 2 251.294 -1.121 20 0 CAADLO Cn1ncc(Cn2cc(C[N@@H+](C)CCO)nn2)n1 ZINC001333123061 885460528 /nfs/dbraw/zinc/46/05/28/885460528.db2.gz VKMALSUKEZWAEX-UHFFFAOYSA-N 1 2 251.294 -1.121 20 0 CAADLO CCS(=O)(=O)CCN1C(=O)N[C@@H](C[NH+](C)C)C1=O ZINC001334355025 885539917 /nfs/dbraw/zinc/53/99/17/885539917.db2.gz DQQKARNGQARADV-QMMMGPOBSA-N 1 2 277.346 -1.097 20 0 CAADLO COC(=O)COCC(=O)N1CC[N@H+](C)[C@@H](CO)C1 ZINC001334252825 885532962 /nfs/dbraw/zinc/53/29/62/885532962.db2.gz MUJQIBJFLLETCY-SECBINFHSA-N 1 2 260.290 -1.689 20 0 CAADLO COC(=O)COCC(=O)N1CC[N@@H+](C)[C@@H](CO)C1 ZINC001334252825 885532977 /nfs/dbraw/zinc/53/29/77/885532977.db2.gz MUJQIBJFLLETCY-SECBINFHSA-N 1 2 260.290 -1.689 20 0 CAADLO CC(C)[C@H](NC=O)C(=O)N[C@@H]1CCC[N@H+](CC(N)=O)C1 ZINC001335011082 885576597 /nfs/dbraw/zinc/57/65/97/885576597.db2.gz WJLTZDINXJURPP-PWSUYJOCSA-N 1 2 284.360 -1.177 20 0 CAADLO CC(C)[C@H](NC=O)C(=O)N[C@@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001335011082 885576600 /nfs/dbraw/zinc/57/66/00/885576600.db2.gz WJLTZDINXJURPP-PWSUYJOCSA-N 1 2 284.360 -1.177 20 0 CAADLO C[N@@H+]1CC[C@@H]1CNC(=O)C(=O)N1C[C@@H]2C[C@H]1C[S@@]2=O ZINC001335074798 885580854 /nfs/dbraw/zinc/58/08/54/885580854.db2.gz IKTSNDILFAMAMY-YITVBPOHSA-N 1 2 285.369 -1.462 20 0 CAADLO C[N@H+]1CC[C@@H]1CNC(=O)C(=O)N1C[C@@H]2C[C@H]1C[S@@]2=O ZINC001335074798 885580862 /nfs/dbraw/zinc/58/08/62/885580862.db2.gz IKTSNDILFAMAMY-YITVBPOHSA-N 1 2 285.369 -1.462 20 0 CAADLO COC[C@@H](NC(=O)/C=C/C[NH+]1CCOCC1)C(N)=O ZINC001335529187 885620239 /nfs/dbraw/zinc/62/02/39/885620239.db2.gz NGQUKNHSKKYKMG-VMZHVLLKSA-N 1 2 271.317 -1.509 20 0 CAADLO C[N@H+]1CC[C@@](O)(C[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)C1 ZINC001336000072 885643420 /nfs/dbraw/zinc/64/34/20/885643420.db2.gz JKBQWWPTJQVGDP-UONOGXRCSA-N 1 2 286.420 -1.749 20 0 CAADLO CO[C@H](C[NH+]1CC2(C1)NC(=O)NC2=O)[C@@H]1CCOC1 ZINC001336872326 885683899 /nfs/dbraw/zinc/68/38/99/885683899.db2.gz DJDSJSXEPXANQR-RKDXNWHRSA-N 1 2 269.301 -1.068 20 0 CAADLO CC(=O)NC[C@H](O)CN(C)C(=O)Cn1cc[nH+]c1 ZINC001338548562 885748118 /nfs/dbraw/zinc/74/81/18/885748118.db2.gz NBHXOLFCPAAMLU-JTQLQIEISA-N 1 2 254.290 -1.162 20 0 CAADLO C[C@H](O)C[N@H+](Cc1nc(N)nc(N)n1)[C@@H](C)CO ZINC001338723554 885754692 /nfs/dbraw/zinc/75/46/92/885754692.db2.gz IAEKJTPRCNBZJN-BQBZGAKWSA-N 1 2 256.310 -1.400 20 0 CAADLO C[C@H](O)C[N@@H+](Cc1nc(N)nc(N)n1)[C@@H](C)CO ZINC001338723554 885754701 /nfs/dbraw/zinc/75/47/01/885754701.db2.gz IAEKJTPRCNBZJN-BQBZGAKWSA-N 1 2 256.310 -1.400 20 0 CAADLO CC[S@](=O)CCNC(=O)C(=O)NCCn1cc[nH+]c1 ZINC001340228025 885796882 /nfs/dbraw/zinc/79/68/82/885796882.db2.gz UFAROBUBGXWMNZ-IBGZPJMESA-N 1 2 286.357 -1.116 20 0 CAADLO O=C(NCCCn1cc[nH+]c1)[C@@H]1CNCCS1(=O)=O ZINC001340013924 885787098 /nfs/dbraw/zinc/78/70/98/885787098.db2.gz YUBVMYLFQQKJSL-JTQLQIEISA-N 1 2 286.357 -1.224 20 0 CAADLO C[C@@H](C(=O)NCCO[C@H]1CCOC1)N1CC[NH2+]CC1=O ZINC001341327731 885833984 /nfs/dbraw/zinc/83/39/84/885833984.db2.gz MUJTWPQZOJYSIL-QWRGUYRKSA-N 1 2 285.344 -1.272 20 0 CAADLO CNC(=O)[C@H]1C[N@@H+](CCN2C(=O)CCC2=O)CCO1 ZINC001342105637 885873401 /nfs/dbraw/zinc/87/34/01/885873401.db2.gz JWBSPZWFOSQUMX-SECBINFHSA-N 1 2 269.301 -1.418 20 0 CAADLO C[N@H+](CCNS(C)(=O)=O)[C@@H]1CCC(=O)NC1=O ZINC001344557142 885944418 /nfs/dbraw/zinc/94/44/18/885944418.db2.gz RJQCIKNFXDICSN-SSDOTTSWSA-N 1 2 263.319 -1.727 20 0 CAADLO C[N@@H+](CCNS(C)(=O)=O)[C@@H]1CCC(=O)NC1=O ZINC001344557142 885944436 /nfs/dbraw/zinc/94/44/36/885944436.db2.gz RJQCIKNFXDICSN-SSDOTTSWSA-N 1 2 263.319 -1.727 20 0 CAADLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)Cn1ncnn1 ZINC001346808029 886016968 /nfs/dbraw/zinc/01/69/68/886016968.db2.gz WLLJSXCIYXKTFN-SNVBAGLBSA-N 1 2 268.321 -1.148 20 0 CAADLO C[C@H](C[NH3+])CNC(=O)Cn1[nH]cc2c(=O)ncnc1-2 ZINC001349403604 886125612 /nfs/dbraw/zinc/12/56/12/886125612.db2.gz OABQPHCFMIXMQB-SSDOTTSWSA-N 1 2 264.289 -1.218 20 0 CAADLO C[C@H]1CN(CCO)CC[N@@H+]1CCc1nnnn1C ZINC001349646444 886142164 /nfs/dbraw/zinc/14/21/64/886142164.db2.gz JXSGUPZVPGOBGU-JTQLQIEISA-N 1 2 254.338 -1.249 20 0 CAADLO C[C@H]1CN(CCO)CC[N@H+]1CCc1nnnn1C ZINC001349646444 886142173 /nfs/dbraw/zinc/14/21/73/886142173.db2.gz JXSGUPZVPGOBGU-JTQLQIEISA-N 1 2 254.338 -1.249 20 0 CAADLO C[N@@H+]1CCN(C(=O)CCc2nnc[nH]2)[C@@H](CO)C1 ZINC001350824724 886185099 /nfs/dbraw/zinc/18/50/99/886185099.db2.gz LKYKPINIUTVDNE-SECBINFHSA-N 1 2 253.306 -1.128 20 0 CAADLO C[N@H+]1CCN(C(=O)CCc2nnc[nH]2)[C@@H](CO)C1 ZINC001350824724 886185110 /nfs/dbraw/zinc/18/51/10/886185110.db2.gz LKYKPINIUTVDNE-SECBINFHSA-N 1 2 253.306 -1.128 20 0 CAADLO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)Cn1ncnn1 ZINC001351165897 886200329 /nfs/dbraw/zinc/20/03/29/886200329.db2.gz QZICFEHYDHRMAR-JTQLQIEISA-N 1 2 267.337 -1.575 20 0 CAADLO COCCOCCN1CC[NH+](CCn2cnnn2)CC1 ZINC001352912838 886253356 /nfs/dbraw/zinc/25/33/56/886253356.db2.gz PYNMULXXQXVWFI-UHFFFAOYSA-N 1 2 284.364 -1.046 20 0 CAADLO CC[N@@H+]1CCO[C@H](C(=O)OCCn2cnnn2)C1 ZINC001353227364 886271326 /nfs/dbraw/zinc/27/13/26/886271326.db2.gz AIEQUBXPVXDQKK-VIFPVBQESA-N 1 2 255.278 -1.063 20 0 CAADLO CC[N@H+]1CCO[C@H](C(=O)OCCn2cnnn2)C1 ZINC001353227364 886271345 /nfs/dbraw/zinc/27/13/45/886271345.db2.gz AIEQUBXPVXDQKK-VIFPVBQESA-N 1 2 255.278 -1.063 20 0 CAADLO C[C@@H](NC(=O)Cn1cnnn1)[C@@H]1CN(C)CC[N@@H+]1C ZINC001353888478 886291106 /nfs/dbraw/zinc/29/11/06/886291106.db2.gz VGZGOMQZSSPDKC-ZJUUUORDSA-N 1 2 267.337 -1.576 20 0 CAADLO C[C@@H](NC(=O)Cn1cnnn1)[C@@H]1CN(C)CC[N@H+]1C ZINC001353888478 886291125 /nfs/dbraw/zinc/29/11/25/886291125.db2.gz VGZGOMQZSSPDKC-ZJUUUORDSA-N 1 2 267.337 -1.576 20 0 CAADLO C[N@@H+]1CCN(C(=O)c2cc(CO)on2)C[C@H]1CO ZINC001354111472 886300820 /nfs/dbraw/zinc/30/08/20/886300820.db2.gz OLCOHACDCMJPPT-QMMMGPOBSA-N 1 2 255.274 -1.085 20 0 CAADLO C[N@H+]1CCN(C(=O)c2cc(CO)on2)C[C@H]1CO ZINC001354111472 886300831 /nfs/dbraw/zinc/30/08/31/886300831.db2.gz OLCOHACDCMJPPT-QMMMGPOBSA-N 1 2 255.274 -1.085 20 0 CAADLO C[C@@H](CNC(=O)C(N)=O)NC(=O)CCc1[nH]cc[nH+]1 ZINC001354685603 886322253 /nfs/dbraw/zinc/32/22/53/886322253.db2.gz LPVDZVVDDVRZRV-ZETCQYMHSA-N 1 2 267.289 -1.552 20 0 CAADLO CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)[C@H]1CCCNC1=O ZINC001356632052 886373233 /nfs/dbraw/zinc/37/32/33/886373233.db2.gz TUOXRSGUTAEMPI-VHSXEESVSA-N 1 2 283.328 -1.124 20 0 CAADLO CCC(=O)NC[C@@H](O)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001357361140 886401284 /nfs/dbraw/zinc/40/12/84/886401284.db2.gz KUQDLNZNACQALF-MRVPVSSYSA-N 1 2 254.290 -1.045 20 0 CAADLO Cc1[nH+]c[nH]c1CNC(=O)[C@@H]1CN(C)C(=O)CN1 ZINC001357428798 886407172 /nfs/dbraw/zinc/40/71/72/886407172.db2.gz RQGZCJUJHIIGPJ-VIFPVBQESA-N 1 2 251.290 -1.235 20 0 CAADLO CC1(C)COCC[N@@H+]1CCNC(=O)[C@@H](CO)NC(N)=O ZINC001361755129 886481973 /nfs/dbraw/zinc/48/19/73/886481973.db2.gz QBTUHHNMOMNHMU-SECBINFHSA-N 1 2 288.348 -1.757 20 0 CAADLO CC1(C)COCC[N@H+]1CCNC(=O)[C@@H](CO)NC(N)=O ZINC001361755129 886481982 /nfs/dbraw/zinc/48/19/82/886481982.db2.gz QBTUHHNMOMNHMU-SECBINFHSA-N 1 2 288.348 -1.757 20 0 CAADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)c1nnn(C)n1 ZINC001362067834 886526516 /nfs/dbraw/zinc/52/65/16/886526516.db2.gz JPEAAEDDUFUOIQ-SECBINFHSA-N 1 2 284.320 -2.025 20 0 CAADLO C[NH+](C)C[C@H](CO)NC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001362623392 886662383 /nfs/dbraw/zinc/66/23/83/886662383.db2.gz FGHIMSVASGRPLP-SFYZADRCSA-N 1 2 293.345 -3.062 20 0 CAADLO C[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@@H](CO)[C@H]2CO)C1 ZINC001362968322 886757763 /nfs/dbraw/zinc/75/77/63/886757763.db2.gz LJXZQJORPXKXDQ-QJPTWQEYSA-N 1 2 272.345 -1.091 20 0 CAADLO C[N@H+]1CCO[C@@H](C(=O)N2CCC[C@@H](CO)[C@H]2CO)C1 ZINC001362968322 886757769 /nfs/dbraw/zinc/75/77/69/886757769.db2.gz LJXZQJORPXKXDQ-QJPTWQEYSA-N 1 2 272.345 -1.091 20 0 CAADLO CS(=O)(=O)C[C@@H](O)CNC(=O)CCn1cc[nH+]c1 ZINC001363019689 886770609 /nfs/dbraw/zinc/77/06/09/886770609.db2.gz IYOLAWDREUPDDL-VIFPVBQESA-N 1 2 275.330 -1.205 20 0 CAADLO NS(=O)(=O)[C@@H]1CC[N@H+](C[C@@H]2CCS(=O)(=O)C2)C1 ZINC001363213301 886829730 /nfs/dbraw/zinc/82/97/30/886829730.db2.gz VEKHLDJOUAFRRV-DTWKUNHWSA-N 1 2 282.387 -1.216 20 0 CAADLO NS(=O)(=O)[C@@H]1CC[N@@H+](C[C@@H]2CCS(=O)(=O)C2)C1 ZINC001363213301 886829739 /nfs/dbraw/zinc/82/97/39/886829739.db2.gz VEKHLDJOUAFRRV-DTWKUNHWSA-N 1 2 282.387 -1.216 20 0 CAADLO Cn1c[nH+]cc1CC(=O)NC[C@]1(O)CCS(=O)(=O)C1 ZINC001363255220 886844220 /nfs/dbraw/zinc/84/42/20/886844220.db2.gz UBZPMJXFMWVEMF-LLVKDONJSA-N 1 2 287.341 -1.372 20 0 CAADLO CC[N@@H+]1CC[C@H]1C(=O)N(CC(=O)NC)CC(=O)NC ZINC001363560565 886937105 /nfs/dbraw/zinc/93/71/05/886937105.db2.gz RDXGBJOETFZXPU-VIFPVBQESA-N 1 2 270.333 -1.599 20 0 CAADLO CC[N@H+]1CC[C@H]1C(=O)N(CC(=O)NC)CC(=O)NC ZINC001363560565 886937113 /nfs/dbraw/zinc/93/71/13/886937113.db2.gz RDXGBJOETFZXPU-VIFPVBQESA-N 1 2 270.333 -1.599 20 0 CAADLO CN(C)S(=O)(=O)CC(=O)N[C@H](CO)Cc1c[nH]c[nH+]1 ZINC001363654340 886956407 /nfs/dbraw/zinc/95/64/07/886956407.db2.gz DMKVHMMIMNHVHX-VIFPVBQESA-N 1 2 290.345 -1.679 20 0 CAADLO CN(C)S(=O)(=O)CC(=O)N[C@H](CO)Cc1c[nH+]c[nH]1 ZINC001363654340 886956420 /nfs/dbraw/zinc/95/64/20/886956420.db2.gz DMKVHMMIMNHVHX-VIFPVBQESA-N 1 2 290.345 -1.679 20 0 CAADLO O=S(=O)(CCn1cc[nH+]c1)N1C[C@@H](CO)[C@H](CO)C1 ZINC001364008061 887018593 /nfs/dbraw/zinc/01/85/93/887018593.db2.gz GJEADWMXJACMDO-QWRGUYRKSA-N 1 2 289.357 -1.255 20 0 CAADLO CNS(=O)(=O)CC[N@@H+]1CC[C@H]2OCC(=O)N[C@@H]2C1 ZINC001364420465 887083964 /nfs/dbraw/zinc/08/39/64/887083964.db2.gz HUWNMZZMWGRXLV-RKDXNWHRSA-N 1 2 277.346 -1.875 20 0 CAADLO CNS(=O)(=O)CC[N@H+]1CC[C@H]2OCC(=O)N[C@@H]2C1 ZINC001364420465 887083976 /nfs/dbraw/zinc/08/39/76/887083976.db2.gz HUWNMZZMWGRXLV-RKDXNWHRSA-N 1 2 277.346 -1.875 20 0 CAADLO CNC(=O)Cc1noc(C[NH+]2[C@H](CO)CC[C@H]2CO)n1 ZINC001364458416 887091016 /nfs/dbraw/zinc/09/10/16/887091016.db2.gz YLLLZFJJRDABHH-IUCAKERBSA-N 1 2 284.316 -1.324 20 0 CAADLO C[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+]Cc1cn(CC(N)=O)nn1 ZINC001364909877 887154519 /nfs/dbraw/zinc/15/45/19/887154519.db2.gz DXKIOHJGMVPVJK-APPZFPTMSA-N 1 2 287.345 -1.714 20 0 CAADLO C[C@@H]1CN(S(=O)(=O)N2CC[NH+](C)CC2)CC(=O)N1C ZINC001364854581 887145742 /nfs/dbraw/zinc/14/57/42/887145742.db2.gz MULWMYSNKFUGAN-SNVBAGLBSA-N 1 2 290.389 -1.359 20 0 CAADLO C[C@@H](NS(=O)(=O)N1CC[NH+](C)CC1)c1nncn1C ZINC001365037835 887163642 /nfs/dbraw/zinc/16/36/42/887163642.db2.gz FEZPEKKHFUFMAN-SECBINFHSA-N 1 2 288.377 -1.042 20 0 CAADLO NC(=O)Cn1cc(C[NH2+][C@H]2CCCS(=O)(=O)C2)nn1 ZINC001365362452 887198371 /nfs/dbraw/zinc/19/83/71/887198371.db2.gz MOZUJRUJJIOLGM-QMMMGPOBSA-N 1 2 287.345 -1.570 20 0 CAADLO O=S(=O)([C@@H]1COC[C@H]1O)N1CCn2c[nH+]cc2C1 ZINC001365412495 887205393 /nfs/dbraw/zinc/20/53/93/887205393.db2.gz HDBJZRKRLYHRTB-NXEZZACHSA-N 1 2 273.314 -1.212 20 0 CAADLO C[C@@H]1COCC[N@H+]1CCNC(=O)N1C[C@H](CO)[C@H](O)C1 ZINC001365556608 887222244 /nfs/dbraw/zinc/22/22/44/887222244.db2.gz YCHRFNHGTRQCHT-IJLUTSLNSA-N 1 2 287.360 -1.298 20 0 CAADLO CCN(C)C(=O)[C@@H](C)NS(=O)(=O)N1CC[NH+](C)CC1 ZINC001365704503 887238270 /nfs/dbraw/zinc/23/82/70/887238270.db2.gz PFNQRWPMWITEQA-SNVBAGLBSA-N 1 2 292.405 -1.065 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)CN(C)C(C)=O)C1 ZINC001365974022 887256613 /nfs/dbraw/zinc/25/66/13/887256613.db2.gz MOESXINQPTZUQE-JTQLQIEISA-N 1 2 270.333 -1.599 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)CN(C)C(C)=O)C1 ZINC001365974022 887256628 /nfs/dbraw/zinc/25/66/28/887256628.db2.gz MOESXINQPTZUQE-JTQLQIEISA-N 1 2 270.333 -1.599 20 0 CAADLO CCN(C)C(=O)C[N@@H+](C)CCNC(=O)[C@H]1COC(=O)N1 ZINC001366525134 887309585 /nfs/dbraw/zinc/30/95/85/887309585.db2.gz QYYGYELYOOBDSS-SECBINFHSA-N 1 2 286.332 -1.379 20 0 CAADLO CCNC(=O)C[N@@H+](C)CCNC(=O)[C@@H]1CC(=O)N(C)C1 ZINC001366533468 887310871 /nfs/dbraw/zinc/31/08/71/887310871.db2.gz CHZZDSNFSMPXIV-SNVBAGLBSA-N 1 2 284.360 -1.351 20 0 CAADLO CN(C)C(=O)C[N@H+](C)CCNC(=O)[C@H]1CNC(=O)N1 ZINC001366567610 887314921 /nfs/dbraw/zinc/31/49/21/887314921.db2.gz XDPTXDMKTNPYAT-MRVPVSSYSA-N 1 2 271.321 -2.196 20 0 CAADLO CN(C)C(=O)C[N@@H+](C)CCNC(=O)[C@H]1CNC(=O)N1 ZINC001366567610 887314933 /nfs/dbraw/zinc/31/49/33/887314933.db2.gz XDPTXDMKTNPYAT-MRVPVSSYSA-N 1 2 271.321 -2.196 20 0 CAADLO CN(C)C(=O)C[N@H+](C)CCNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001366563818 887317435 /nfs/dbraw/zinc/31/74/35/887317435.db2.gz OUOMWLBAPWGNBV-BDAKNGLRSA-N 1 2 270.333 -1.756 20 0 CAADLO CN(C)C(=O)C[N@@H+](C)CCNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001366563818 887317453 /nfs/dbraw/zinc/31/74/53/887317453.db2.gz OUOMWLBAPWGNBV-BDAKNGLRSA-N 1 2 270.333 -1.756 20 0 CAADLO C[C@H](CC(N)=O)C(=O)NCC[N@H+](C)CC(=O)NC1CC1 ZINC001366561255 887317480 /nfs/dbraw/zinc/31/74/80/887317480.db2.gz RBKPBLGUKYIWQQ-SECBINFHSA-N 1 2 284.360 -1.176 20 0 CAADLO C[C@H](CC(N)=O)C(=O)NCC[N@@H+](C)CC(=O)NC1CC1 ZINC001366561255 887317491 /nfs/dbraw/zinc/31/74/91/887317491.db2.gz RBKPBLGUKYIWQQ-SECBINFHSA-N 1 2 284.360 -1.176 20 0 CAADLO CN(CC(=O)N[C@H]1CC[N@H+](CC(N)=O)C1)S(C)(=O)=O ZINC001367006138 887360782 /nfs/dbraw/zinc/36/07/82/887360782.db2.gz FTUQVGDOLJBACM-QMMMGPOBSA-N 1 2 292.361 -2.446 20 0 CAADLO CN(CC(=O)N[C@H]1CC[N@@H+](CC(N)=O)C1)S(C)(=O)=O ZINC001367006138 887360795 /nfs/dbraw/zinc/36/07/95/887360795.db2.gz FTUQVGDOLJBACM-QMMMGPOBSA-N 1 2 292.361 -2.446 20 0 CAADLO CCOCC(=O)N[C@@H]1CC[N@H+](CC(=O)NC(=O)NC)C1 ZINC001367024517 887363263 /nfs/dbraw/zinc/36/32/63/887363263.db2.gz RPANNIOOTKEYQP-SECBINFHSA-N 1 2 286.332 -1.331 20 0 CAADLO CCOCC(=O)N[C@@H]1CC[N@@H+](CC(=O)NC(=O)NC)C1 ZINC001367024517 887363267 /nfs/dbraw/zinc/36/32/67/887363267.db2.gz RPANNIOOTKEYQP-SECBINFHSA-N 1 2 286.332 -1.331 20 0 CAADLO CNC(=O)C[N@H+](C)CCN(C)C(=O)CO[C@H]1CCOC1 ZINC001367517331 887386564 /nfs/dbraw/zinc/38/65/64/887386564.db2.gz SSYMUVSCORXOCN-NSHDSACASA-N 1 2 287.360 -1.072 20 0 CAADLO CNC(=O)C[N@@H+](C)CCN(C)C(=O)CO[C@H]1CCOC1 ZINC001367517331 887386572 /nfs/dbraw/zinc/38/65/72/887386572.db2.gz SSYMUVSCORXOCN-NSHDSACASA-N 1 2 287.360 -1.072 20 0 CAADLO CNC(=O)C[N@H+](C)CCN(C)C(=O)CO[C@@H]1CCOC1 ZINC001367517327 887386596 /nfs/dbraw/zinc/38/65/96/887386596.db2.gz SSYMUVSCORXOCN-LLVKDONJSA-N 1 2 287.360 -1.072 20 0 CAADLO CNC(=O)C[N@@H+](C)CCN(C)C(=O)CO[C@@H]1CCOC1 ZINC001367517327 887386609 /nfs/dbraw/zinc/38/66/09/887386609.db2.gz SSYMUVSCORXOCN-LLVKDONJSA-N 1 2 287.360 -1.072 20 0 CAADLO COC[C@H](O)C[NH+]1CC(N(C)C(=O)[C@@H]2CCC(=O)N2)C1 ZINC001368088656 887453396 /nfs/dbraw/zinc/45/33/96/887453396.db2.gz QKACLSVRBCNAEK-MNOVXSKESA-N 1 2 285.344 -1.585 20 0 CAADLO COCC[NH+]1CC(O)(CNC(=O)c2[nH]c(=O)[nH]c2C)C1 ZINC001368304844 887476151 /nfs/dbraw/zinc/47/61/51/887476151.db2.gz QHJMGGDULDRVLK-UHFFFAOYSA-N 1 2 284.316 -1.153 20 0 CAADLO COC[C@@H](C)[NH+]1CC(O)(CNC(=O)[C@H](C)CC(N)=O)C1 ZINC001368303408 887474098 /nfs/dbraw/zinc/47/40/98/887474098.db2.gz NOHCLLKZKFTJSJ-NXEZZACHSA-N 1 2 287.360 -1.304 20 0 CAADLO COC[C@@H](C)[NH+]1CC(O)(CNC(=O)[C@H](C)NC(N)=O)C1 ZINC001368291810 887474286 /nfs/dbraw/zinc/47/42/86/887474286.db2.gz PMILPRZBQBQXAB-BDAKNGLRSA-N 1 2 288.348 -1.759 20 0 CAADLO COC[C@H](O)C[NH+]1CC(O)(CNC(=O)[C@@H]2CC2(F)F)C1 ZINC001368295396 887474431 /nfs/dbraw/zinc/47/44/31/887474431.db2.gz HMTHJIRLPHIBHD-BDAKNGLRSA-N 1 2 294.298 -1.188 20 0 CAADLO Cn1cc(CC(=O)NC2(CCO)C[NH+](CCO)C2)cn1 ZINC001369016283 887516283 /nfs/dbraw/zinc/51/62/83/887516283.db2.gz QJZQIIBHIWNRHC-UHFFFAOYSA-N 1 2 282.344 -1.492 20 0 CAADLO C[C@H](NC(=O)C[C@@H]1CCC(=O)N1)C1C[NH+](CC(N)=O)C1 ZINC001369092765 887521229 /nfs/dbraw/zinc/52/12/29/887521229.db2.gz UPILWQFVQGZKQW-WPRPVWTQSA-N 1 2 282.344 -1.423 20 0 CAADLO CCn1ncc(C[NH2+][C@H](CO)CNC(=O)[C@H](C)OC)n1 ZINC001369304218 887527589 /nfs/dbraw/zinc/52/75/89/887527589.db2.gz GPLFVUJSKJEMNG-ONGXEEELSA-N 1 2 285.348 -1.100 20 0 CAADLO CO[C@@H](C)C(=O)NC[C@@H](CO)[NH2+]Cc1cnn(C)n1 ZINC001369312121 887536062 /nfs/dbraw/zinc/53/60/62/887536062.db2.gz VITVRDFEFKBVDF-WPRPVWTQSA-N 1 2 271.321 -1.583 20 0 CAADLO CCS(=O)(=O)NCC(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001369973627 887599974 /nfs/dbraw/zinc/59/99/74/887599974.db2.gz CRZQBLBBDBCQDF-MRVPVSSYSA-N 1 2 292.361 -2.399 20 0 CAADLO Cn1c[nH+]cc1CC(=O)NC[C@H](CO)NC(=O)C(F)F ZINC001370752597 887632482 /nfs/dbraw/zinc/63/24/82/887632482.db2.gz YGIODICTWZILGB-SSDOTTSWSA-N 1 2 290.270 -1.179 20 0 CAADLO CCNC(=O)C[N@H+](C)CCNC(=O)[C@H]1CCNC(=O)C1 ZINC001371946239 887677217 /nfs/dbraw/zinc/67/72/17/887677217.db2.gz OZGOAHVMPSZTLN-JTQLQIEISA-N 1 2 284.360 -1.303 20 0 CAADLO CCNC(=O)C[N@@H+](C)CCNC(=O)[C@H]1CCNC(=O)C1 ZINC001371946239 887677230 /nfs/dbraw/zinc/67/72/30/887677230.db2.gz OZGOAHVMPSZTLN-JTQLQIEISA-N 1 2 284.360 -1.303 20 0 CAADLO COC[C@H](C)C(=O)NCC[N@H+](C)Cc1nc(=O)n(C)[nH]1 ZINC001371926252 887677292 /nfs/dbraw/zinc/67/72/92/887677292.db2.gz MAIHQEYUMHDJFI-VIFPVBQESA-N 1 2 285.348 -1.061 20 0 CAADLO COC[C@H](C)C(=O)NCC[N@@H+](C)Cc1nc(=O)n(C)[nH]1 ZINC001371926252 887677300 /nfs/dbraw/zinc/67/73/00/887677300.db2.gz MAIHQEYUMHDJFI-VIFPVBQESA-N 1 2 285.348 -1.061 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H](COC)OC)C1 ZINC001373680893 887759892 /nfs/dbraw/zinc/75/98/92/887759892.db2.gz HSTSHUAXJVBKCY-WDEREUQCSA-N 1 2 287.360 -1.074 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](N(C)C(=O)[C@@H](COC)OC)C1 ZINC001373680893 887759900 /nfs/dbraw/zinc/75/99/00/887759900.db2.gz HSTSHUAXJVBKCY-WDEREUQCSA-N 1 2 287.360 -1.074 20 0 CAADLO CCC(=O)N[C@@H](C)C(=O)N(C)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001373671939 887760767 /nfs/dbraw/zinc/76/07/67/887760767.db2.gz ITOJHFXYSGGXQH-VHSXEESVSA-N 1 2 284.360 -1.081 20 0 CAADLO CCC(=O)N[C@@H](C)C(=O)N(C)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001373671939 887760781 /nfs/dbraw/zinc/76/07/81/887760781.db2.gz ITOJHFXYSGGXQH-VHSXEESVSA-N 1 2 284.360 -1.081 20 0 CAADLO CC(=O)NC(C)(C)C(=O)N[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001373648203 887760871 /nfs/dbraw/zinc/76/08/71/887760871.db2.gz XHNFMRNLNROPEX-SECBINFHSA-N 1 2 270.333 -1.423 20 0 CAADLO CC(=O)NC(C)(C)C(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001373648203 887760878 /nfs/dbraw/zinc/76/08/78/887760878.db2.gz XHNFMRNLNROPEX-SECBINFHSA-N 1 2 270.333 -1.423 20 0 CAADLO CCC(=O)N[C@H](C)C(=O)N(C)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001373671941 887760901 /nfs/dbraw/zinc/76/09/01/887760901.db2.gz ITOJHFXYSGGXQH-ZJUUUORDSA-N 1 2 284.360 -1.081 20 0 CAADLO CCC(=O)N[C@H](C)C(=O)N(C)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001373671941 887760916 /nfs/dbraw/zinc/76/09/16/887760916.db2.gz ITOJHFXYSGGXQH-ZJUUUORDSA-N 1 2 284.360 -1.081 20 0 CAADLO CS(=O)(=O)CC[N@@H+]1CC[C@@](O)(CNC(=O)C2CC2)C1 ZINC001375999472 887891872 /nfs/dbraw/zinc/89/18/72/887891872.db2.gz TWWGFORSOKBVGO-GFCCVEGCSA-N 1 2 290.385 -1.006 20 0 CAADLO CS(=O)(=O)CC[N@H+]1CC[C@@](O)(CNC(=O)C2CC2)C1 ZINC001375999472 887891884 /nfs/dbraw/zinc/89/18/84/887891884.db2.gz TWWGFORSOKBVGO-GFCCVEGCSA-N 1 2 290.385 -1.006 20 0 CAADLO COC[C@H](O)C[N@@H+]1CC[C@@H](NC(=O)CS(C)(=O)=O)C1 ZINC001376115074 887901528 /nfs/dbraw/zinc/90/15/28/887901528.db2.gz KAZSCFRQLGEEQU-NXEZZACHSA-N 1 2 294.373 -1.771 20 0 CAADLO COC[C@H](O)C[N@H+]1CC[C@@H](NC(=O)CS(C)(=O)=O)C1 ZINC001376115074 887901536 /nfs/dbraw/zinc/90/15/36/887901536.db2.gz KAZSCFRQLGEEQU-NXEZZACHSA-N 1 2 294.373 -1.771 20 0 CAADLO CCC(=O)NCC1(O)C[NH+](C[C@H](O)Cn2cccn2)C1 ZINC001376111014 887903354 /nfs/dbraw/zinc/90/33/54/887903354.db2.gz JLOLTORBIVKSLT-NSHDSACASA-N 1 2 282.344 -1.183 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)CNC(=O)NC)C1 ZINC001376127536 887905816 /nfs/dbraw/zinc/90/58/16/887905816.db2.gz INTFBASHFGGBJB-QMMMGPOBSA-N 1 2 271.321 -2.148 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)CNC(=O)NC)C1 ZINC001376127536 887905819 /nfs/dbraw/zinc/90/58/19/887905819.db2.gz INTFBASHFGGBJB-QMMMGPOBSA-N 1 2 271.321 -2.148 20 0 CAADLO CC(=O)NC(C)(C)C(=O)NCC1(O)C[NH+](CCCO)C1 ZINC001376256881 887918604 /nfs/dbraw/zinc/91/86/04/887918604.db2.gz JSFMBBCGIVXVPT-UHFFFAOYSA-N 1 2 287.360 -1.554 20 0 CAADLO C[C@H](CNC(=O)[C@@H]1CNC(=O)N1)[NH2+]Cc1cnsn1 ZINC001376808492 887961019 /nfs/dbraw/zinc/96/10/19/887961019.db2.gz URSSISBSAAPECV-SVRRBLITSA-N 1 2 284.345 -1.186 20 0 CAADLO C[C@H](CNC(=O)CC(C)(C)O)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001376716456 887952998 /nfs/dbraw/zinc/95/29/98/887952998.db2.gz OTECTPLMDHUILD-MRVPVSSYSA-N 1 2 285.348 -1.136 20 0 CAADLO CC[N@H+](CCNC(C)=O)CC(=O)N1CCNC(=O)C1 ZINC001377290073 887989729 /nfs/dbraw/zinc/98/97/29/887989729.db2.gz XDAYIJWXXDJPHX-UHFFFAOYSA-N 1 2 270.333 -1.597 20 0 CAADLO CC[N@@H+](CCNC(C)=O)CC(=O)N1CCNC(=O)C1 ZINC001377290073 887989735 /nfs/dbraw/zinc/98/97/35/887989735.db2.gz XDAYIJWXXDJPHX-UHFFFAOYSA-N 1 2 270.333 -1.597 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CC[C@H](CNC(=O)CS(C)(=O)=O)C1 ZINC001377436615 887996630 /nfs/dbraw/zinc/99/66/30/887996630.db2.gz RZMVJYZLOADIBT-DTWKUNHWSA-N 1 2 291.373 -1.657 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CC[C@H](CNC(=O)CS(C)(=O)=O)C1 ZINC001377436615 887996632 /nfs/dbraw/zinc/99/66/32/887996632.db2.gz RZMVJYZLOADIBT-DTWKUNHWSA-N 1 2 291.373 -1.657 20 0 CAADLO CO[C@H](C)CC(=O)NC1(CO)CC[NH+](CC(N)=O)CC1 ZINC001377552101 888001389 /nfs/dbraw/zinc/00/13/89/888001389.db2.gz SSPRUCADMQFVKH-SNVBAGLBSA-N 1 2 287.360 -1.160 20 0 CAADLO CC(=O)N[C@@H](CC(=O)NCC1C[NH+](CCF)C1)C(N)=O ZINC001377996726 888026868 /nfs/dbraw/zinc/02/68/68/888026868.db2.gz JKVXVKCUMXELCO-JTQLQIEISA-N 1 2 288.323 -1.616 20 0 CAADLO COC[C@@H](C)C(=O)NCC1C[NH+](CC(=O)NC(N)=O)C1 ZINC001377962196 888026908 /nfs/dbraw/zinc/02/69/08/888026908.db2.gz ZSALIXORSAKVMT-MRVPVSSYSA-N 1 2 286.332 -1.488 20 0 CAADLO CNC(=O)C[NH2+][C@@H](CO)CNC(=O)CCc1cnn[nH]1 ZINC001379473491 888149419 /nfs/dbraw/zinc/14/94/19/888149419.db2.gz BIYWWASWUJRWQK-SECBINFHSA-N 1 2 284.320 -2.450 20 0 CAADLO CC(=O)N[C@H](C)C[N@H+](C)CC(=O)N1CCNC(=O)C1 ZINC001379625465 888166379 /nfs/dbraw/zinc/16/63/79/888166379.db2.gz XEPAGPVAZXVBAL-SECBINFHSA-N 1 2 270.333 -1.599 20 0 CAADLO CC(=O)N[C@H](C)C[N@@H+](C)CC(=O)N1CCNC(=O)C1 ZINC001379625465 888166388 /nfs/dbraw/zinc/16/63/88/888166388.db2.gz XEPAGPVAZXVBAL-SECBINFHSA-N 1 2 270.333 -1.599 20 0 CAADLO CNC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)CCc1cn[nH]n1 ZINC001379754389 888170976 /nfs/dbraw/zinc/17/09/76/888170976.db2.gz VPOGTAMLDJIJIU-SECBINFHSA-N 1 2 282.348 -1.080 20 0 CAADLO CC(C)C(=O)NC[C@@H](CO)[NH2+][C@H](C)c1nnnn1C ZINC001379350495 888123872 /nfs/dbraw/zinc/12/38/72/888123872.db2.gz NTBGHBCAVYMAEE-BDAKNGLRSA-N 1 2 270.337 -1.006 20 0 CAADLO CNC(=O)C[N@H+](C)C[C@@H](C)NC(=O)CCc1c[nH]nn1 ZINC001379754389 888170988 /nfs/dbraw/zinc/17/09/88/888170988.db2.gz VPOGTAMLDJIJIU-SECBINFHSA-N 1 2 282.348 -1.080 20 0 CAADLO CNC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)CCc1c[nH]nn1 ZINC001379754389 888170998 /nfs/dbraw/zinc/17/09/98/888170998.db2.gz VPOGTAMLDJIJIU-SECBINFHSA-N 1 2 282.348 -1.080 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(N(C)C(=O)[C@@H](C)NC(C)=O)C1 ZINC001380205679 888197776 /nfs/dbraw/zinc/19/77/76/888197776.db2.gz CJUWYMMOPWNNRE-SKDRFNHKSA-N 1 2 287.360 -1.339 20 0 CAADLO CO[C@H](C)C[NH+]1CC(O)(CNC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001380634396 888225083 /nfs/dbraw/zinc/22/50/83/888225083.db2.gz KTJVBDORBXMNCY-ZJUUUORDSA-N 1 2 285.344 -1.537 20 0 CAADLO Cn1c[nH+]cc1CC(=O)NCC1(O)CN(CC(N)=O)C1 ZINC001380640407 888225125 /nfs/dbraw/zinc/22/51/25/888225125.db2.gz HNHOLTJJKYVLTK-UHFFFAOYSA-N 1 2 281.316 -2.389 20 0 CAADLO CCn1ncc(C[NH2+][C@H](CO)CNC(=O)COC)n1 ZINC001382162957 888278347 /nfs/dbraw/zinc/27/83/47/888278347.db2.gz GEXJAFKMBABWIC-JTQLQIEISA-N 1 2 271.321 -1.489 20 0 CAADLO COCCC(=O)NC[C@H](CO)NC(=O)Cn1cc[nH+]c1 ZINC001382276543 888325497 /nfs/dbraw/zinc/32/54/97/888325497.db2.gz SGVLIVCRYMUUGH-SNVBAGLBSA-N 1 2 284.316 -1.487 20 0 CAADLO COCC[N@@H+](CCNC(=O)C(F)F)CC(=O)NC(N)=O ZINC001382536865 888365266 /nfs/dbraw/zinc/36/52/66/888365266.db2.gz BICJENLQVRNEOG-UHFFFAOYSA-N 1 2 296.274 -1.489 20 0 CAADLO COCC(=O)NC[C@H](CO)NC(=O)CCc1[nH]cc[nH+]1 ZINC001383849619 888394199 /nfs/dbraw/zinc/39/41/99/888394199.db2.gz ASFWULBNEFRXIL-SECBINFHSA-N 1 2 284.316 -1.418 20 0 CAADLO C[C@H](CNC(=O)c1nnn(C)n1)[NH2+]Cc1cnsn1 ZINC001390452337 888581229 /nfs/dbraw/zinc/58/12/29/888581229.db2.gz IUKDQIDDQYIMSF-ZCFIWIBFSA-N 1 2 282.333 -1.030 20 0 CAADLO CNC(=O)NCC(=O)NCC[N@H+](C)CC(=O)N1CCCC1 ZINC001390767554 888600380 /nfs/dbraw/zinc/60/03/80/888600380.db2.gz SOTCLLPOCWNRFE-UHFFFAOYSA-N 1 2 299.375 -1.414 20 0 CAADLO CNC(=O)NCC(=O)NCC[N@@H+](C)CC(=O)N1CCCC1 ZINC001390767554 888600391 /nfs/dbraw/zinc/60/03/91/888600391.db2.gz SOTCLLPOCWNRFE-UHFFFAOYSA-N 1 2 299.375 -1.414 20 0 CAADLO CS(=O)(=O)CC(=O)NCC[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001391297477 888618923 /nfs/dbraw/zinc/61/89/23/888618923.db2.gz LJHMVFNKIYMABE-VIFPVBQESA-N 1 2 291.373 -1.656 20 0 CAADLO CS(=O)(=O)CC(=O)NCC[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001391297477 888618941 /nfs/dbraw/zinc/61/89/41/888618941.db2.gz LJHMVFNKIYMABE-VIFPVBQESA-N 1 2 291.373 -1.656 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(NC(=O)[C@H](C)NC(C)=O)C1 ZINC001391405623 888622791 /nfs/dbraw/zinc/62/27/91/888622791.db2.gz BQZAMHYYLHUONA-KWQFWETISA-N 1 2 273.333 -1.681 20 0 CAADLO CC[C@H](NC(C)=O)C(=O)N(C)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001391616426 888640428 /nfs/dbraw/zinc/64/04/28/888640428.db2.gz BXADDYITFNVCGG-QWRGUYRKSA-N 1 2 284.360 -1.081 20 0 CAADLO CC[C@H](NC(C)=O)C(=O)N(C)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001391616426 888640435 /nfs/dbraw/zinc/64/04/35/888640435.db2.gz BXADDYITFNVCGG-QWRGUYRKSA-N 1 2 284.360 -1.081 20 0 CAADLO CCOCC(=O)NC[C@H](O)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001392007141 888656085 /nfs/dbraw/zinc/65/60/85/888656085.db2.gz SVHCPYBRHDKTGO-SECBINFHSA-N 1 2 284.316 -1.418 20 0 CAADLO CCC(=O)N[C@@H](C)C(=O)N(C)CC[N@H+](C)CC(N)=O ZINC001392277389 888672825 /nfs/dbraw/zinc/67/28/25/888672825.db2.gz NQOMRMHYTJAIHP-VIFPVBQESA-N 1 2 272.349 -1.223 20 0 CAADLO CCC(=O)N[C@@H](C)C(=O)N(C)CC[N@@H+](C)CC(N)=O ZINC001392277389 888672829 /nfs/dbraw/zinc/67/28/29/888672829.db2.gz NQOMRMHYTJAIHP-VIFPVBQESA-N 1 2 272.349 -1.223 20 0 CAADLO NC(=O)C[NH2+]C[C@H](O)CNC(=O)C(F)C(F)(F)F ZINC001392375367 888687849 /nfs/dbraw/zinc/68/78/49/888687849.db2.gz IGTIZVBDBSKFFV-UJURSFKZSA-N 1 2 275.202 -1.561 20 0 CAADLO NC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@@H](F)C(F)(F)F ZINC001392375367 888687853 /nfs/dbraw/zinc/68/78/53/888687853.db2.gz IGTIZVBDBSKFFV-UJURSFKZSA-N 1 2 275.202 -1.561 20 0 CAADLO C[C@@H](C[N@H+](C)CC(N)=O)NC(=O)c1cn(C)ccc1=O ZINC001392679942 888733855 /nfs/dbraw/zinc/73/38/55/888733855.db2.gz VYQUKDZZWVSRHP-VIFPVBQESA-N 1 2 280.328 -1.079 20 0 CAADLO C[C@@H](C[N@@H+](C)CC(N)=O)NC(=O)c1cn(C)ccc1=O ZINC001392679942 888733861 /nfs/dbraw/zinc/73/38/61/888733861.db2.gz VYQUKDZZWVSRHP-VIFPVBQESA-N 1 2 280.328 -1.079 20 0 CAADLO CNC(=O)NC(=O)C[N@H+]1CC[C@](C)(NC(=O)COC)C1 ZINC001393091885 888754393 /nfs/dbraw/zinc/75/43/93/888754393.db2.gz BPOBTTACALKEJJ-LBPRGKRZSA-N 1 2 286.332 -1.331 20 0 CAADLO COC[C@H](O)C[NH+]1CC(O)(CNC(=O)[C@H]2CCOC2)C1 ZINC001393294037 888770818 /nfs/dbraw/zinc/77/08/18/888770818.db2.gz GKIAZGSYLFDUJH-WDEREUQCSA-N 1 2 288.344 -1.807 20 0 CAADLO CO[C@@H](C)C[NH+]1CC(O)(CNC(=O)c2nnn(C)n2)C1 ZINC001393331964 888779833 /nfs/dbraw/zinc/77/98/33/888779833.db2.gz JDQLGHTVVMCISX-QMMMGPOBSA-N 1 2 284.320 -1.979 20 0 CAADLO CC(C)[C@@H](O)C(=O)NC1(CCO)C[NH+](C[C@H](C)O)C1 ZINC001394147517 888817679 /nfs/dbraw/zinc/81/76/79/888817679.db2.gz MXTDWQUVVOZEFJ-WDEREUQCSA-N 1 2 274.361 -1.063 20 0 CAADLO COC[C@H](C)[NH+]1CC(CCO)(NC(=O)CNC(C)=O)C1 ZINC001394136623 888817704 /nfs/dbraw/zinc/81/77/04/888817704.db2.gz HQNXSUPSCPYPDF-JTQLQIEISA-N 1 2 287.360 -1.290 20 0 CAADLO CCCCC(=O)NC[C@H](CO)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001394569203 888832877 /nfs/dbraw/zinc/83/28/77/888832877.db2.gz FWNXYJQRJYWMOB-SECBINFHSA-N 1 2 285.348 -1.135 20 0 CAADLO CCO[C@H](C)C(=O)NC[C@@H](CO)[NH2+]Cc1ncnn1C ZINC001394573158 888837705 /nfs/dbraw/zinc/83/77/05/888837705.db2.gz MGCRUOCWWUZLDY-ZJUUUORDSA-N 1 2 285.348 -1.193 20 0 CAADLO COC(=O)NCC(=O)NCC[N@H+](C)CC(=O)NC1CC1 ZINC001399431810 889042656 /nfs/dbraw/zinc/04/26/56/889042656.db2.gz IILNPEDUHXRGDE-UHFFFAOYSA-N 1 2 286.332 -1.331 20 0 CAADLO COC(=O)NCC(=O)NCC[N@@H+](C)CC(=O)NC1CC1 ZINC001399431810 889042667 /nfs/dbraw/zinc/04/26/67/889042667.db2.gz IILNPEDUHXRGDE-UHFFFAOYSA-N 1 2 286.332 -1.331 20 0 CAADLO CNC(=O)NCC(=O)NCC[N@H+](C)CC(=O)N(C)C ZINC001399485754 889046380 /nfs/dbraw/zinc/04/63/80/889046380.db2.gz JQYBCPGEWOORQV-UHFFFAOYSA-N 1 2 273.337 -1.948 20 0 CAADLO CNC(=O)NCC(=O)NCC[N@@H+](C)CC(=O)N(C)C ZINC001399485754 889046390 /nfs/dbraw/zinc/04/63/90/889046390.db2.gz JQYBCPGEWOORQV-UHFFFAOYSA-N 1 2 273.337 -1.948 20 0 CAADLO CNC(=O)C[N@H+](C)CCNC(=O)CCNC(=O)NC ZINC001399484777 889046418 /nfs/dbraw/zinc/04/64/18/889046418.db2.gz ICHQAXSPWGDSGJ-UHFFFAOYSA-N 1 2 273.337 -1.901 20 0 CAADLO CNC(=O)C[N@@H+](C)CCNC(=O)CCNC(=O)NC ZINC001399484777 889046431 /nfs/dbraw/zinc/04/64/31/889046431.db2.gz ICHQAXSPWGDSGJ-UHFFFAOYSA-N 1 2 273.337 -1.901 20 0 CAADLO COC[C@H](O)C[N@H+](C)CCNC(=O)C1CS(=O)(=O)C1 ZINC001399494014 889049539 /nfs/dbraw/zinc/04/95/39/889049539.db2.gz SHYWATVFXZXEJO-SNVBAGLBSA-N 1 2 294.373 -1.914 20 0 CAADLO COC[C@H](O)C[N@@H+](C)CCNC(=O)C1CS(=O)(=O)C1 ZINC001399494014 889049552 /nfs/dbraw/zinc/04/95/52/889049552.db2.gz SHYWATVFXZXEJO-SNVBAGLBSA-N 1 2 294.373 -1.914 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CCC[C@H](NC(=O)[C@H](C)NC(N)=O)C1 ZINC001400290652 889100444 /nfs/dbraw/zinc/10/04/44/889100444.db2.gz AYWDBPZTNADIDC-YIZRAAEISA-N 1 2 285.348 -1.502 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CCC[C@H](NC(=O)[C@H](C)NC(N)=O)C1 ZINC001400290652 889100450 /nfs/dbraw/zinc/10/04/50/889100450.db2.gz AYWDBPZTNADIDC-YIZRAAEISA-N 1 2 285.348 -1.502 20 0 CAADLO CNC(=O)NCCC(=O)NC1C[NH+](C[C@H](O)COC)C1 ZINC001400346073 889101849 /nfs/dbraw/zinc/10/18/49/889101849.db2.gz NLYXBKHRRZSMOT-JTQLQIEISA-N 1 2 288.348 -1.887 20 0 CAADLO CC(C)OCC[NH+]1CC(NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001400389573 889105719 /nfs/dbraw/zinc/10/57/19/889105719.db2.gz DLXXDFJEPWIKJS-JTQLQIEISA-N 1 2 270.333 -1.107 20 0 CAADLO CCN1C[C@@H](C(=O)N(C)CC[N@H+](C)CC(N)=O)CC1=O ZINC001401373192 889135273 /nfs/dbraw/zinc/13/52/73/889135273.db2.gz VRBKZFSIMXUURK-JTQLQIEISA-N 1 2 284.360 -1.270 20 0 CAADLO CCN1C[C@@H](C(=O)N(C)CC[N@@H+](C)CC(N)=O)CC1=O ZINC001401373192 889135281 /nfs/dbraw/zinc/13/52/81/889135281.db2.gz VRBKZFSIMXUURK-JTQLQIEISA-N 1 2 284.360 -1.270 20 0 CAADLO CC(=O)NCC(=O)NC[C@H]1CC[N@H+]1[C@@H]1CCN(C)C1=O ZINC001401869552 889190601 /nfs/dbraw/zinc/19/06/01/889190601.db2.gz PMRDOKLTFNVDSD-GHMZBOCLSA-N 1 2 282.344 -1.456 20 0 CAADLO CC(=O)NCC(=O)NC[C@H]1CC[N@@H+]1[C@@H]1CCN(C)C1=O ZINC001401869552 889190609 /nfs/dbraw/zinc/19/06/09/889190609.db2.gz PMRDOKLTFNVDSD-GHMZBOCLSA-N 1 2 282.344 -1.456 20 0 CAADLO Cc1ncncc1C(=O)NCC1(O)C[NH+](CCCO)C1 ZINC001402311804 889219949 /nfs/dbraw/zinc/21/99/49/889219949.db2.gz STERIAOYFPEDCS-UHFFFAOYSA-N 1 2 280.328 -1.056 20 0 CAADLO CC(C)[C@@H](O)C(=O)N[C@H]1CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001402163896 889207004 /nfs/dbraw/zinc/20/70/04/889207004.db2.gz GIIVITDXXLVIML-WCBMZHEXSA-N 1 2 286.332 -1.611 20 0 CAADLO CC(C)[C@@H](O)C(=O)N[C@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001402163896 889207024 /nfs/dbraw/zinc/20/70/24/889207024.db2.gz GIIVITDXXLVIML-WCBMZHEXSA-N 1 2 286.332 -1.611 20 0 CAADLO CCO[C@@H]1C[C@@H]1C(=O)NC1(CCO)C[NH+](CCO)C1 ZINC001403200881 889290254 /nfs/dbraw/zinc/29/02/54/889290254.db2.gz IBMDBMKPKUBKRB-WDEREUQCSA-N 1 2 272.345 -1.043 20 0 CAADLO C[C@@H](O)C[NH+]1CC(CCO)(NC(=O)Cc2nc[nH]n2)C1 ZINC001403240605 889295809 /nfs/dbraw/zinc/29/58/09/889295809.db2.gz WYSSIBXZOSLVKQ-SECBINFHSA-N 1 2 283.332 -1.719 20 0 CAADLO CCNC(=O)C[N@@H+](C)CCNC(=O)CNC(=O)NC ZINC001403566501 889319368 /nfs/dbraw/zinc/31/93/68/889319368.db2.gz MRCGDWWWJDNUGB-UHFFFAOYSA-N 1 2 273.337 -1.901 20 0 CAADLO Cn1[nH]c(C[NH2+][C@@H](CO)CNC(=O)C(C)(C)F)nc1=O ZINC001403660782 889336745 /nfs/dbraw/zinc/33/67/45/889336745.db2.gz XWYLYWVKYAAUJY-SSDOTTSWSA-N 1 2 289.311 -1.577 20 0 CAADLO CC(C)[C@@H](F)C(=O)NC[C@@H](CO)[NH2+]Cc1nnnn1C ZINC001403712373 889358107 /nfs/dbraw/zinc/35/81/07/889358107.db2.gz TUVQLOBJIJVGGS-WCBMZHEXSA-N 1 2 288.327 -1.229 20 0 CAADLO CCC(=O)NCC[N@@H+](CC)CC(=O)N1CCNC(=O)C1 ZINC001403799094 889365788 /nfs/dbraw/zinc/36/57/88/889365788.db2.gz DTJBQRFMBLVVCC-UHFFFAOYSA-N 1 2 284.360 -1.207 20 0 CAADLO CCC(=O)NCC[N@H+](CC)CC(=O)N1CCNC(=O)C1 ZINC001403799094 889365798 /nfs/dbraw/zinc/36/57/98/889365798.db2.gz DTJBQRFMBLVVCC-UHFFFAOYSA-N 1 2 284.360 -1.207 20 0 CAADLO CNC(=O)C[N@H+](CCNC(=O)[C@@H]1CCCO1)CCOC ZINC001403959449 889390066 /nfs/dbraw/zinc/39/00/66/889390066.db2.gz XPNZAYABASAPLE-NSHDSACASA-N 1 2 287.360 -1.024 20 0 CAADLO CNC(=O)C[N@@H+](CCNC(=O)[C@@H]1CCCO1)CCOC ZINC001403959449 889390073 /nfs/dbraw/zinc/39/00/73/889390073.db2.gz XPNZAYABASAPLE-NSHDSACASA-N 1 2 287.360 -1.024 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(NC(=O)Cn2nccc2C)C1 ZINC001404813300 889418089 /nfs/dbraw/zinc/41/80/89/889418089.db2.gz CKJCLLREAMQZDI-LBPRGKRZSA-N 1 2 282.344 -1.001 20 0 CAADLO COC(=O)NCC(=O)NCC1C[NH+]([C@H]2CCNC2=O)C1 ZINC001404851580 889418746 /nfs/dbraw/zinc/41/87/46/889418746.db2.gz DWHVEQZSFJEHKF-VIFPVBQESA-N 1 2 284.316 -1.721 20 0 CAADLO CC(=O)N(C)CC(=O)NCC1C[NH+]([C@H](C)C(N)=O)C1 ZINC001404860332 889419282 /nfs/dbraw/zinc/41/92/82/889419282.db2.gz SDGDESFOYCWRGM-MRVPVSSYSA-N 1 2 270.333 -1.614 20 0 CAADLO Cc1nn(CC(=O)NCC2C[NH+](CCF)C2)c(=O)n1C ZINC001404939718 889420473 /nfs/dbraw/zinc/42/04/73/889420473.db2.gz YDXOAKYMDLMTLF-UHFFFAOYSA-N 1 2 285.323 -1.092 20 0 CAADLO CCNC(=O)C[NH+]1CC(CNC(=O)c2cnn(C)n2)C1 ZINC001404913162 889422125 /nfs/dbraw/zinc/42/21/25/889422125.db2.gz UFNDESVYPUNULD-UHFFFAOYSA-N 1 2 280.332 -1.387 20 0 CAADLO COCC(=O)N[C@H](CO)CNC(=O)CCn1cc[nH+]c1 ZINC001405335839 889449823 /nfs/dbraw/zinc/44/98/23/889449823.db2.gz CCULUOVRKCJCMJ-JTQLQIEISA-N 1 2 284.316 -1.487 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)c2csnn2)C1 ZINC001407363393 889562810 /nfs/dbraw/zinc/56/28/10/889562810.db2.gz NIORDJOXOFXCCP-SNVBAGLBSA-N 1 2 285.329 -1.810 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)c2csnn2)C1 ZINC001407363393 889562819 /nfs/dbraw/zinc/56/28/19/889562819.db2.gz NIORDJOXOFXCCP-SNVBAGLBSA-N 1 2 285.329 -1.810 20 0 CAADLO CN1C[C@H](C(=O)NCC2(O)C[NH+](CCCF)C2)NC1=O ZINC001407426317 889576273 /nfs/dbraw/zinc/57/62/73/889576273.db2.gz BTUGZVCJYLFHBO-SECBINFHSA-N 1 2 288.323 -1.468 20 0 CAADLO C[C@@H](F)CC[NH+]1CC(O)(CNC(=O)CCNC(N)=O)C1 ZINC001407467924 889576758 /nfs/dbraw/zinc/57/67/58/889576758.db2.gz TWJRQPRXRPSCCC-SECBINFHSA-N 1 2 290.339 -1.044 20 0 CAADLO COCC[NH+]1CC(CCO)(NC(=O)CN(C)C(C)=O)C1 ZINC001409707087 889644357 /nfs/dbraw/zinc/64/43/57/889644357.db2.gz RQGDEVVXQDNQCQ-UHFFFAOYSA-N 1 2 287.360 -1.336 20 0 CAADLO CC[NH+]1CC(CCO)(NC(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001409759643 889644383 /nfs/dbraw/zinc/64/43/83/889644383.db2.gz YPHRJFFHTCTMLF-VIFPVBQESA-N 1 2 291.373 -1.749 20 0 CAADLO Cn1c(C(=O)NC2(CCO)C[NH+](CCO)C2)c[nH]c1=O ZINC001409734401 889645974 /nfs/dbraw/zinc/64/59/74/889645974.db2.gz CNYLDMHKAGTFAD-UHFFFAOYSA-N 1 2 284.316 -1.715 20 0 CAADLO COCC[NH+]1CC(CCO)(NC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001409748797 889646780 /nfs/dbraw/zinc/64/67/80/889646780.db2.gz ZBTBFGCZZXAYFO-ZJUUUORDSA-N 1 2 285.344 -1.693 20 0 CAADLO COCC(=O)NC[C@H](O)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001410058522 889655845 /nfs/dbraw/zinc/65/58/45/889655845.db2.gz QFVAYYGHOOLTRZ-MRVPVSSYSA-N 1 2 270.289 -1.808 20 0 CAADLO COCC(=O)NC[C@@H](O)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001410058943 889655915 /nfs/dbraw/zinc/65/59/15/889655915.db2.gz QFVAYYGHOOLTRZ-QMMMGPOBSA-N 1 2 270.289 -1.808 20 0 CAADLO CC(=O)NCC(=O)NC[C@H](CO)[NH2+]Cc1ccon1 ZINC001410557509 889679407 /nfs/dbraw/zinc/67/94/07/889679407.db2.gz FFGJOQKEAYWTEQ-SNVBAGLBSA-N 1 2 270.289 -1.623 20 0 CAADLO COC[C@@H](C)C(=O)NC[C@@H](CO)[NH2+]Cc1nncn1C ZINC001410587492 889687410 /nfs/dbraw/zinc/68/74/10/889687410.db2.gz PLDKTDIVWQVMQF-ZJUUUORDSA-N 1 2 285.348 -1.336 20 0 CAADLO CS(=O)(=O)C[C@H](O)CNC(=O)CCc1[nH]cc[nH+]1 ZINC001412744099 889879405 /nfs/dbraw/zinc/87/94/05/889879405.db2.gz PXUYLWOFKACJEP-MRVPVSSYSA-N 1 2 275.330 -1.136 20 0 CAADLO O=C(NCC[NH+]1CCC(O)CC1)C1=CCS(=O)(=O)C1 ZINC001412969359 889916883 /nfs/dbraw/zinc/91/68/83/889916883.db2.gz KNDGXASMSLKINW-UHFFFAOYSA-N 1 2 288.369 -1.086 20 0 CAADLO CS(=O)(=O)[C@H]1C[C@H]([NH2+]Cc2cn(CC(N)=O)nn2)C1 ZINC001413158184 889944351 /nfs/dbraw/zinc/94/43/51/889944351.db2.gz BTHVJLLVOMZFAG-XWEPSHTISA-N 1 2 287.345 -1.571 20 0 CAADLO C[C@@H]1CC(=O)NCCN1S(=O)(=O)N1CC[NH+](C)CC1 ZINC001413289394 889957706 /nfs/dbraw/zinc/95/77/06/889957706.db2.gz DITLJVXZOZSTMT-SNVBAGLBSA-N 1 2 290.389 -1.311 20 0 CAADLO C[C@H](NC(=O)C[N@@H+]1CCC(CO)(CO)C1)C(=O)N(C)C ZINC001414017502 890040210 /nfs/dbraw/zinc/04/02/10/890040210.db2.gz PHSZVGSCQOIHJQ-JTQLQIEISA-N 1 2 287.360 -1.744 20 0 CAADLO C[C@H](NC(=O)C[N@H+]1CCC(CO)(CO)C1)C(=O)N(C)C ZINC001414017502 890040227 /nfs/dbraw/zinc/04/02/27/890040227.db2.gz PHSZVGSCQOIHJQ-JTQLQIEISA-N 1 2 287.360 -1.744 20 0 CAADLO COC[C@@H](NS(=O)(=O)CCn1cc[nH+]c1)C(N)=O ZINC001414231026 890050835 /nfs/dbraw/zinc/05/08/35/890050835.db2.gz GAVYGSDXPSFQDS-MRVPVSSYSA-N 1 2 276.318 -1.697 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)[C@H](C)CC(N)=O ZINC001417745462 890168378 /nfs/dbraw/zinc/16/83/78/890168378.db2.gz UZFAQKYFTXYXHK-ZJUUUORDSA-N 1 2 284.360 -1.223 20 0 CAADLO CC(=O)N[C@@H](C)C(=O)NC[C@@H]1CCCC[N@@H+]1CC(N)=O ZINC001418153709 890192836 /nfs/dbraw/zinc/19/28/36/890192836.db2.gz SDQPTQSMZVSJMY-ONGXEEELSA-N 1 2 284.360 -1.033 20 0 CAADLO CC(=O)N[C@@H](C)C(=O)NC[C@@H]1CCCC[N@H+]1CC(N)=O ZINC001418153709 890192848 /nfs/dbraw/zinc/19/28/48/890192848.db2.gz SDQPTQSMZVSJMY-ONGXEEELSA-N 1 2 284.360 -1.033 20 0 CAADLO C[C@@H](C(=O)N1CCC(O)(CO)CC1)[NH+]1CCN(C)CC1 ZINC001418387340 890217193 /nfs/dbraw/zinc/21/71/93/890217193.db2.gz NWSUPHYDFNBCNX-LBPRGKRZSA-N 1 2 285.388 -1.032 20 0 CAADLO C[N@H+](CCNC(=O)[C@H]1C[C@H]1C(N)=O)CC(=O)N1CCC1 ZINC001418495198 890227002 /nfs/dbraw/zinc/22/70/02/890227002.db2.gz JUIGCUCSYWQDNK-ZJUUUORDSA-N 1 2 282.344 -1.612 20 0 CAADLO C[N@@H+](CCNC(=O)[C@H]1C[C@H]1C(N)=O)CC(=O)N1CCC1 ZINC001418495198 890227014 /nfs/dbraw/zinc/22/70/14/890227014.db2.gz JUIGCUCSYWQDNK-ZJUUUORDSA-N 1 2 282.344 -1.612 20 0 CAADLO CCS(=O)(=O)CC(=O)NC[C@H]1CCC[N@@H+]1CCO ZINC001418637134 890248355 /nfs/dbraw/zinc/24/83/55/890248355.db2.gz IALNOESFEAEXAG-SNVBAGLBSA-N 1 2 278.374 -1.006 20 0 CAADLO CCS(=O)(=O)CC(=O)NC[C@H]1CCC[N@H+]1CCO ZINC001418637134 890248371 /nfs/dbraw/zinc/24/83/71/890248371.db2.gz IALNOESFEAEXAG-SNVBAGLBSA-N 1 2 278.374 -1.006 20 0 CAADLO CCC(=O)N[C@@H](C)C(=O)N[C@H]1CCC[N@H+](CC(N)=O)C1 ZINC001418959199 890275572 /nfs/dbraw/zinc/27/55/72/890275572.db2.gz LZLAYAIEWAWDLX-UWVGGRQHSA-N 1 2 284.360 -1.033 20 0 CAADLO CCC(=O)N[C@@H](C)C(=O)N[C@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001418959199 890275583 /nfs/dbraw/zinc/27/55/83/890275583.db2.gz LZLAYAIEWAWDLX-UWVGGRQHSA-N 1 2 284.360 -1.033 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(NC(=O)Cc2nnc(C)[nH]2)C1 ZINC001418974731 890279588 /nfs/dbraw/zinc/27/95/88/890279588.db2.gz ZFYAJWMFNGVLKA-JTQLQIEISA-N 1 2 283.332 -1.537 20 0 CAADLO CNC(=O)C[NH+]1CC(CNC(=O)[C@H](C)NC(N)=O)C1 ZINC001419018193 890292322 /nfs/dbraw/zinc/29/23/22/890292322.db2.gz UHHHTGZRYIVUIQ-ZETCQYMHSA-N 1 2 271.321 -2.163 20 0 CAADLO CCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H](C)CC(N)=O)C1 ZINC001419064016 890293990 /nfs/dbraw/zinc/29/39/90/890293990.db2.gz XRRZABDOSJRUGR-UWVGGRQHSA-N 1 2 284.360 -1.176 20 0 CAADLO COCC[N@H+]1CCO[C@@H](CNC(=O)Cn2cnnn2)C1 ZINC001419561655 890335847 /nfs/dbraw/zinc/33/58/47/890335847.db2.gz AFXUDJYTUYVLPS-JTQLQIEISA-N 1 2 284.320 -1.864 20 0 CAADLO C[C@@H](CNC(=O)CN1CCOCC1)[NH2+]Cc1cnon1 ZINC001419733295 890349419 /nfs/dbraw/zinc/34/94/19/890349419.db2.gz WTBLOBLQONQCOO-JTQLQIEISA-N 1 2 283.332 -1.004 20 0 CAADLO C[N@H+](CCNC(=O)c1cnn(CCF)c1)CC(N)=O ZINC001420256721 890421488 /nfs/dbraw/zinc/42/14/88/890421488.db2.gz GUQSXHXOMGEXLB-UHFFFAOYSA-N 1 2 271.296 -1.001 20 0 CAADLO C[N@@H+](CCNC(=O)c1cnn(CCF)c1)CC(N)=O ZINC001420256721 890421497 /nfs/dbraw/zinc/42/14/97/890421497.db2.gz GUQSXHXOMGEXLB-UHFFFAOYSA-N 1 2 271.296 -1.001 20 0 CAADLO COC(=O)[C@@]1(NS(=O)(=O)C2C[NH2+]C2)CCOC1 ZINC000923629117 883996481 /nfs/dbraw/zinc/99/64/81/883996481.db2.gz WMLQQMUWXVHLDN-SECBINFHSA-N 1 2 264.303 -1.790 20 0 CAADLO COC(=O)[C@]1(NS(=O)(=O)C2C[NH2+]C2)CCOC1 ZINC000923629118 883996832 /nfs/dbraw/zinc/99/68/32/883996832.db2.gz WMLQQMUWXVHLDN-VIFPVBQESA-N 1 2 264.303 -1.790 20 0 CAADLO O=C(N[C@@H]1C[N@H+](CCO)C[C@H]1O)c1ccns1 ZINC001077079149 884024390 /nfs/dbraw/zinc/02/43/90/884024390.db2.gz RVRHIPICPUKBNV-HTQZYQBOSA-N 1 2 257.315 -1.090 20 0 CAADLO O=C(N[C@@H]1C[N@@H+](CCO)C[C@H]1O)c1ccns1 ZINC001077079149 884024404 /nfs/dbraw/zinc/02/44/04/884024404.db2.gz RVRHIPICPUKBNV-HTQZYQBOSA-N 1 2 257.315 -1.090 20 0 CAADLO C[C@H]1[C@@H]([NH2+]Cc2nnn(C)n2)CCN1C(=O)c1nc[nH]n1 ZINC000987192084 884007993 /nfs/dbraw/zinc/00/79/93/884007993.db2.gz YNAXQDQHLMXQOA-YUMQZZPRSA-N 1 2 291.319 -1.279 20 0 CAADLO C[C@H]1[C@H]([NH2+]Cc2nnn(C)n2)CCN1C(=O)c1cnon1 ZINC000987207787 884008017 /nfs/dbraw/zinc/00/80/17/884008017.db2.gz QQLLZAVHSTZQSE-JGVFFNPUSA-N 1 2 292.303 -1.014 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001015774122 884010433 /nfs/dbraw/zinc/01/04/33/884010433.db2.gz VMTAWDKCGALSID-RQJHMYQMSA-N 1 2 283.288 -2.740 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001015774122 884010446 /nfs/dbraw/zinc/01/04/46/884010446.db2.gz VMTAWDKCGALSID-RQJHMYQMSA-N 1 2 283.288 -2.740 20 0 CAADLO Cn1nnc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3COC(=O)N3)C2)n1 ZINC001022033559 884014032 /nfs/dbraw/zinc/01/40/32/884014032.db2.gz CSLFZZSQRJLMMZ-GJMOJQLCSA-N 1 2 295.303 -1.945 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCC(=O)N2)C1 ZINC001032827302 884016503 /nfs/dbraw/zinc/01/65/03/884016503.db2.gz IHBWBBXJFVPGQP-KXUCPTDWSA-N 1 2 282.344 -1.281 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)[C@H]2CCCC(=O)N2)C1 ZINC001032827302 884016519 /nfs/dbraw/zinc/01/65/19/884016519.db2.gz IHBWBBXJFVPGQP-KXUCPTDWSA-N 1 2 282.344 -1.281 20 0 CAADLO CCN1C[C@@H](C(=O)N[C@@H]2C[N@H+](CCF)C[C@H]2O)CC1=O ZINC001077086280 884028303 /nfs/dbraw/zinc/02/83/03/884028303.db2.gz RJLJAXNMRARMHK-HBNTYKKESA-N 1 2 287.335 -1.014 20 0 CAADLO CCN1C[C@@H](C(=O)N[C@@H]2C[N@@H+](CCF)C[C@H]2O)CC1=O ZINC001077086280 884028316 /nfs/dbraw/zinc/02/83/16/884028316.db2.gz RJLJAXNMRARMHK-HBNTYKKESA-N 1 2 287.335 -1.014 20 0 CAADLO O=C(C[N@@H+]1C[C@@H](NC(=O)C2CC2)[C@@H](O)C1)N1CCC1 ZINC001083298840 884028432 /nfs/dbraw/zinc/02/84/32/884028432.db2.gz VKSOVTDFCSSZNA-MNOVXSKESA-N 1 2 267.329 -1.210 20 0 CAADLO O=C(C[N@H+]1C[C@@H](NC(=O)C2CC2)[C@@H](O)C1)N1CCC1 ZINC001083298840 884028449 /nfs/dbraw/zinc/02/84/49/884028449.db2.gz VKSOVTDFCSSZNA-MNOVXSKESA-N 1 2 267.329 -1.210 20 0 CAADLO O=C(N[C@@H]1C[N@@H+](CCF)C[C@@H]1O)[C@H]1CCNC1=O ZINC001083698767 884029759 /nfs/dbraw/zinc/02/97/59/884029759.db2.gz WFUOSZUOUWNGOF-YIZRAAEISA-N 1 2 259.281 -1.747 20 0 CAADLO O=C(N[C@@H]1C[N@H+](CCF)C[C@@H]1O)[C@H]1CCNC1=O ZINC001083698767 884029767 /nfs/dbraw/zinc/02/97/67/884029767.db2.gz WFUOSZUOUWNGOF-YIZRAAEISA-N 1 2 259.281 -1.747 20 0 CAADLO CN(C)C(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1COC(=O)N1 ZINC001085575856 884030354 /nfs/dbraw/zinc/03/03/54/884030354.db2.gz GFOXCOHTZAJVIH-NXEZZACHSA-N 1 2 298.343 -1.284 20 0 CAADLO CN(C)C(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1COC(=O)N1 ZINC001085575856 884030368 /nfs/dbraw/zinc/03/03/68/884030368.db2.gz GFOXCOHTZAJVIH-NXEZZACHSA-N 1 2 298.343 -1.284 20 0 CAADLO COc1c[nH]c(C(=O)N[C@@H]2C[N@H+](CCO)C[C@@H]2O)cc1=O ZINC001083643430 884030905 /nfs/dbraw/zinc/03/09/05/884030905.db2.gz IQQMEENBKMXFDD-KOLCDFICSA-N 1 2 297.311 -1.849 20 0 CAADLO COc1c[nH]c(C(=O)N[C@@H]2C[N@@H+](CCO)C[C@@H]2O)cc1=O ZINC001083643430 884030923 /nfs/dbraw/zinc/03/09/23/884030923.db2.gz IQQMEENBKMXFDD-KOLCDFICSA-N 1 2 297.311 -1.849 20 0 CAADLO CCn1cc(C(=O)N[C@H]2CC[N@H+](CC(N)=O)[C@@H]2C)nn1 ZINC001088947035 884035263 /nfs/dbraw/zinc/03/52/63/884035263.db2.gz FOJHKJJDCJUXIW-BDAKNGLRSA-N 1 2 280.332 -1.024 20 0 CAADLO CCn1cc(C(=O)N[C@H]2CC[N@@H+](CC(N)=O)[C@@H]2C)nn1 ZINC001088947035 884035278 /nfs/dbraw/zinc/03/52/78/884035278.db2.gz FOJHKJJDCJUXIW-BDAKNGLRSA-N 1 2 280.332 -1.024 20 0 CAADLO C[C@@H]1[C@@H](NC(=O)c2cnnn2C)CC[N@@H+]1CC(N)=O ZINC001088548764 884036031 /nfs/dbraw/zinc/03/60/31/884036031.db2.gz FQAGZXPVFCEGPZ-SFYZADRCSA-N 1 2 266.305 -1.507 20 0 CAADLO C[C@@H]1[C@@H](NC(=O)c2cnnn2C)CC[N@H+]1CC(N)=O ZINC001088548764 884036041 /nfs/dbraw/zinc/03/60/41/884036041.db2.gz FQAGZXPVFCEGPZ-SFYZADRCSA-N 1 2 266.305 -1.507 20 0 CAADLO Cc1nonc1CC(=O)N[C@H]1CC[N@H+](CC(N)=O)[C@@H]1C ZINC001088950640 884036676 /nfs/dbraw/zinc/03/66/76/884036676.db2.gz ADVIMBJVLAINCN-BDAKNGLRSA-N 1 2 281.316 -1.015 20 0 CAADLO Cc1nonc1CC(=O)N[C@H]1CC[N@@H+](CC(N)=O)[C@@H]1C ZINC001088950640 884036695 /nfs/dbraw/zinc/03/66/95/884036695.db2.gz ADVIMBJVLAINCN-BDAKNGLRSA-N 1 2 281.316 -1.015 20 0 CAADLO C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](CC(N)=O)[C@@H]2C)C1 ZINC001088967855 884036860 /nfs/dbraw/zinc/03/68/60/884036860.db2.gz WCMSPVDECADJSK-MXWKQRLJSA-N 1 2 296.371 -1.081 20 0 CAADLO C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](CC(N)=O)[C@@H]2C)C1 ZINC001088967855 884036879 /nfs/dbraw/zinc/03/68/79/884036879.db2.gz WCMSPVDECADJSK-MXWKQRLJSA-N 1 2 296.371 -1.081 20 0 CAADLO C[C@@H]1C[C@H]1C(=O)N1CC(n2cc(C[NH2+]CC(N)=O)nn2)C1 ZINC001105145217 884038060 /nfs/dbraw/zinc/03/80/60/884038060.db2.gz RWCBZSZXRJVSMY-LDYMZIIASA-N 1 2 292.343 -1.108 20 0 CAADLO Cc1nc(N(C)C)nc(NC[C@H](O)CNC(=O)C(N)=O)[nH+]1 ZINC001106078312 884039365 /nfs/dbraw/zinc/03/93/65/884039365.db2.gz ZIARSBKTUWRRGU-SSDOTTSWSA-N 1 2 297.319 -2.380 20 0 CAADLO Cc1nc(N(C)C)nc(NC[C@@H](O)CNC(=O)C(N)=O)[nH+]1 ZINC001106078313 884040552 /nfs/dbraw/zinc/04/05/52/884040552.db2.gz ZIARSBKTUWRRGU-ZETCQYMHSA-N 1 2 297.319 -2.380 20 0 CAADLO CCS(=O)(=O)CC(=O)NCC[NH2+]Cc1cnon1 ZINC001152376956 884063524 /nfs/dbraw/zinc/06/35/24/884063524.db2.gz OWIFLLKYKARXQF-UHFFFAOYSA-N 1 2 276.318 -1.290 20 0 CAADLO C[C@@H](CC(=O)N[C@@H]1C[N@H+](CCF)C[C@H]1O)NC(N)=O ZINC001192940547 884071855 /nfs/dbraw/zinc/07/18/55/884071855.db2.gz OKPLNAHYBLIJMH-DJLDLDEBSA-N 1 2 276.312 -1.436 20 0 CAADLO C[C@@H](CC(=O)N[C@@H]1C[N@@H+](CCF)C[C@H]1O)NC(N)=O ZINC001192940547 884071868 /nfs/dbraw/zinc/07/18/68/884071868.db2.gz OKPLNAHYBLIJMH-DJLDLDEBSA-N 1 2 276.312 -1.436 20 0 CAADLO Cn1cc[nH+]c1CCNC(=O)c1cn(C)c(=O)n(C)c1=O ZINC001195550368 884074267 /nfs/dbraw/zinc/07/42/67/884074267.db2.gz SCKQXTMGZZLHAY-UHFFFAOYSA-N 1 2 291.311 -1.210 20 0 CAADLO Cc1c(NC[C@@H](O)C[NH+]2CCOCC2)c(C(N)=O)nn1C ZINC001251005359 884081161 /nfs/dbraw/zinc/08/11/61/884081161.db2.gz AVUVROUSGAPTAE-SNVBAGLBSA-N 1 2 297.359 -1.068 20 0 CAADLO NC(=O)c1ncc(NC[C@@H](O)C[NH+]2CCOCC2)cn1 ZINC001251005689 884081251 /nfs/dbraw/zinc/08/12/51/884081251.db2.gz DYEVODLJWANTBG-SNVBAGLBSA-N 1 2 281.316 -1.320 20 0 CAADLO O=S1CC2(C[NH+](C[C@@H](O)CN3CCOCC3)C2)C1 ZINC001251008956 884081410 /nfs/dbraw/zinc/08/14/10/884081410.db2.gz IHBQWJCZDRDIFL-NSHDSACASA-N 1 2 274.386 -1.256 20 0 CAADLO O=C1CN(C[C@@H](O)C[NH+]2CCOCC2)CCCN1 ZINC001251009842 884081656 /nfs/dbraw/zinc/08/16/56/884081656.db2.gz QQWKMECODBQWJS-NSHDSACASA-N 1 2 257.334 -1.499 20 0 CAADLO Cc1n[nH]nc1C(=O)N(C)CC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001266798750 884087424 /nfs/dbraw/zinc/08/74/24/884087424.db2.gz VZOYDEJGNSWFNS-UHFFFAOYSA-N 1 2 294.319 -1.603 20 0 CAADLO CN(CC[NH2+]Cc1cnon1)C(=O)CN1CCNC(=O)C1 ZINC001266799938 884088543 /nfs/dbraw/zinc/08/85/43/884088543.db2.gz IPIINDHYZGBGHP-UHFFFAOYSA-N 1 2 296.331 -1.951 20 0 CAADLO CN(C(=O)C[C@@H]1CCC(=O)N1)C1C[NH+](CCOCCO)C1 ZINC001269861139 884096856 /nfs/dbraw/zinc/09/68/56/884096856.db2.gz CIJHYMLIOMPBOI-NSHDSACASA-N 1 2 299.371 -1.193 20 0 CAADLO Cn1nnnc1C[NH2+]CC=CCNC(=O)[C@@H]1COC(=O)N1 ZINC001273991910 884101212 /nfs/dbraw/zinc/10/12/12/884101212.db2.gz WGODNNXUXSFZSJ-SGJFDWMWSA-N 1 2 295.303 -1.920 20 0 CAADLO CC[NH+]1CC(O)(CNC(=O)c2nnn(C)c2C)C1 ZINC001278851164 884108021 /nfs/dbraw/zinc/10/80/21/884108021.db2.gz PYGNGEJITZYQCT-UHFFFAOYSA-N 1 2 253.306 -1.080 20 0 CAADLO O=C(Cc1[nH]cc[nH+]1)NCCNC(=O)[C@@H]1CNC(=O)N1 ZINC001283151229 884110111 /nfs/dbraw/zinc/11/01/11/884110111.db2.gz LBEWBULRTJEPJN-ZETCQYMHSA-N 1 2 280.288 -2.134 20 0 CAADLO Cn1c[nH+]cc1CC(=O)NC[C@H]1CCCN1C(=O)C(N)=O ZINC001284680119 884111783 /nfs/dbraw/zinc/11/17/83/884111783.db2.gz COTISEULICGOHN-SECBINFHSA-N 1 2 293.327 -1.445 20 0 CAADLO O=C(CCn1cnnn1)NCCNC(=O)Cn1cc[nH+]c1 ZINC001292935100 884113450 /nfs/dbraw/zinc/11/34/50/884113450.db2.gz ACZSKJLXQIOBDH-UHFFFAOYSA-N 1 2 292.303 -1.808 20 0 CAADLO C[C@]1(NC(=O)C(N)=O)CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001299575923 884114549 /nfs/dbraw/zinc/11/45/49/884114549.db2.gz PTLRXSZBXZMLEQ-LBPRGKRZSA-N 1 2 279.300 -1.455 20 0 CAADLO C[C@@]1(NC(=O)C(N)=O)CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001299575921 884114605 /nfs/dbraw/zinc/11/46/05/884114605.db2.gz PTLRXSZBXZMLEQ-GFCCVEGCSA-N 1 2 279.300 -1.455 20 0 CAADLO CON1CC[C@H]([N@@H+]2CC[C@H]3OCC(=O)N[C@@H]3C2)C1=O ZINC001307821897 884123362 /nfs/dbraw/zinc/12/33/62/884123362.db2.gz RIICRRYPKXTTTD-KXUCPTDWSA-N 1 2 269.301 -1.262 20 0 CAADLO CON1CC[C@H]([N@H+]2CC[C@H]3OCC(=O)N[C@@H]3C2)C1=O ZINC001307821897 884123370 /nfs/dbraw/zinc/12/33/70/884123370.db2.gz RIICRRYPKXTTTD-KXUCPTDWSA-N 1 2 269.301 -1.262 20 0 CAADLO Cn1ncc2c1nc(C[NH+](CCO)CCO)[nH]c2=O ZINC001307455285 884124468 /nfs/dbraw/zinc/12/44/68/884124468.db2.gz CZBAFFDRBDSSQU-UHFFFAOYSA-N 1 2 267.289 -1.145 20 0 CAADLO Cn1[nH]c(C[NH+]2CCC3(CC2)NC(=O)NC3=O)nc1=O ZINC001307655008 884125128 /nfs/dbraw/zinc/12/51/28/884125128.db2.gz JGAHVRCEYHPNHX-UHFFFAOYSA-N 1 2 280.288 -1.718 20 0 CAADLO CCNC(=O)[C@@H](C)[NH2+]Cc1cn(CC(N)=O)nn1 ZINC001308190885 884132822 /nfs/dbraw/zinc/13/28/22/884132822.db2.gz YGMHIFHXTAUHRS-SSDOTTSWSA-N 1 2 254.294 -1.622 20 0 CAADLO C[C@@H]1[C@@H](NC(=O)C(N)=O)CC[N@@H+]1CCCS(C)(=O)=O ZINC001316790523 884153136 /nfs/dbraw/zinc/15/31/36/884153136.db2.gz GUIYLILRDSJVED-BDAKNGLRSA-N 1 2 291.373 -1.515 20 0 CAADLO C[C@@H]1[C@@H](NC(=O)C(N)=O)CC[N@H+]1CCCS(C)(=O)=O ZINC001316790523 884153141 /nfs/dbraw/zinc/15/31/41/884153141.db2.gz GUIYLILRDSJVED-BDAKNGLRSA-N 1 2 291.373 -1.515 20 0 CAADLO CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)C(N)=O)[C@H]1C ZINC001316790859 884153825 /nfs/dbraw/zinc/15/38/25/884153825.db2.gz PMRVGUIEQBGTQC-SFYZADRCSA-N 1 2 256.306 -1.813 20 0 CAADLO CCNC(=O)C[N@H+]1CC[C@H](NC(=O)C(N)=O)[C@H]1C ZINC001316790859 884153836 /nfs/dbraw/zinc/15/38/36/884153836.db2.gz PMRVGUIEQBGTQC-SFYZADRCSA-N 1 2 256.306 -1.813 20 0 CAADLO CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCNC2=O)C1 ZINC001316946427 884157625 /nfs/dbraw/zinc/15/76/25/884157625.db2.gz BDSAWGHVCCOBFV-WDEREUQCSA-N 1 2 296.371 -1.161 20 0 CAADLO CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCNC2=O)C1 ZINC001316946427 884157635 /nfs/dbraw/zinc/15/76/35/884157635.db2.gz BDSAWGHVCCOBFV-WDEREUQCSA-N 1 2 296.371 -1.161 20 0 CAADLO CC[N@H+](CCCNC(=O)C(N)=O)Cc1nnc(C)[nH]1 ZINC001316901626 884157738 /nfs/dbraw/zinc/15/77/38/884157738.db2.gz PTVNTAGXCIGEPR-UHFFFAOYSA-N 1 2 268.321 -1.073 20 0 CAADLO CC[N@@H+](CCCNC(=O)C(N)=O)Cc1nnc(C)[nH]1 ZINC001316901626 884157745 /nfs/dbraw/zinc/15/77/45/884157745.db2.gz PTVNTAGXCIGEPR-UHFFFAOYSA-N 1 2 268.321 -1.073 20 0 CAADLO Cn1[nH]c(C[N@H+](C)CCCNC(=O)c2cn[nH]n2)nc1=O ZINC001316834260 884158420 /nfs/dbraw/zinc/15/84/20/884158420.db2.gz YGKNQRGQIFLYNS-UHFFFAOYSA-N 1 2 294.319 -1.522 20 0 CAADLO Cn1[nH]c(C[N@@H+](C)CCCNC(=O)c2cn[nH]n2)nc1=O ZINC001316834260 884158428 /nfs/dbraw/zinc/15/84/28/884158428.db2.gz YGKNQRGQIFLYNS-UHFFFAOYSA-N 1 2 294.319 -1.522 20 0 CAADLO CC[N@H+](CCCNC(=O)C(N)=O)[C@@H](C)c1nnnn1C ZINC001316901231 884160829 /nfs/dbraw/zinc/16/08/29/884160829.db2.gz CHGRSBMYIRLFTI-QMMMGPOBSA-N 1 2 283.336 -1.415 20 0 CAADLO CC[N@@H+](CCCNC(=O)C(N)=O)[C@@H](C)c1nnnn1C ZINC001316901231 884160843 /nfs/dbraw/zinc/16/08/43/884160843.db2.gz CHGRSBMYIRLFTI-QMMMGPOBSA-N 1 2 283.336 -1.415 20 0 CAADLO CNC(=O)[C@H](C)[NH+]1CCN(CCNC(C)=O)CC1 ZINC001316966087 884163541 /nfs/dbraw/zinc/16/35/41/884163541.db2.gz JIVOEMYSBRAGKI-JTQLQIEISA-N 1 2 256.350 -1.125 20 0 CAADLO CC[C@H](C(N)=O)[NH+]1CCN(CCNC(=O)C(N)=O)CC1 ZINC001316967065 884164781 /nfs/dbraw/zinc/16/47/81/884164781.db2.gz PMXWIRPIVJSFJZ-SECBINFHSA-N 1 2 285.348 -2.531 20 0 CAADLO CC(=O)NCCN1CC[NH+](CC(=O)N(C)C)CC1 ZINC001316965872 884165553 /nfs/dbraw/zinc/16/55/53/884165553.db2.gz DZEZTPLSLUKRIY-UHFFFAOYSA-N 1 2 256.350 -1.172 20 0 CAADLO NC(=O)C(=O)NC[C@@H]1CCCC[N@@H+]1CC(=O)NCC1CC1 ZINC001317179464 884175275 /nfs/dbraw/zinc/17/52/75/884175275.db2.gz SVYRCJWLGGZNMU-NSHDSACASA-N 1 2 296.371 -1.031 20 0 CAADLO NC(=O)C(=O)NC[C@@H]1CCCC[N@H+]1CC(=O)NCC1CC1 ZINC001317179464 884175279 /nfs/dbraw/zinc/17/52/79/884175279.db2.gz SVYRCJWLGGZNMU-NSHDSACASA-N 1 2 296.371 -1.031 20 0 CAADLO C[C@@H](CNC(=O)[C@H]1CCNC1=O)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001317255960 884180963 /nfs/dbraw/zinc/18/09/63/884180963.db2.gz KNRKCUZALIFURQ-YUMQZZPRSA-N 1 2 296.331 -2.161 20 0 CAADLO C[C@H](CNC(=O)C(N)=O)[NH2+]Cc1cc(=O)n2[nH]ccc2n1 ZINC001317262954 884182003 /nfs/dbraw/zinc/18/20/03/884182003.db2.gz AKIHLCADRULWDK-SSDOTTSWSA-N 1 2 292.299 -1.898 20 0 CAADLO C[N@H+](CCNC(=O)[C@@H]1CCC(=O)NC1)CC(N)=O ZINC001317452482 884194522 /nfs/dbraw/zinc/19/45/22/884194522.db2.gz DNMOXHMNAYGXGC-MRVPVSSYSA-N 1 2 256.306 -1.954 20 0 CAADLO C[N@@H+](CCNC(=O)[C@@H]1CCC(=O)NC1)CC(N)=O ZINC001317452482 884194532 /nfs/dbraw/zinc/19/45/32/884194532.db2.gz DNMOXHMNAYGXGC-MRVPVSSYSA-N 1 2 256.306 -1.954 20 0 CAADLO C[N@H+](CCNC(=O)CCN1C(=O)CCC1=O)CC(N)=O ZINC001317450039 884195127 /nfs/dbraw/zinc/19/51/27/884195127.db2.gz ALCHILLYZJVLLC-UHFFFAOYSA-N 1 2 284.316 -1.941 20 0 CAADLO C[N@@H+](CCNC(=O)CCN1C(=O)CCC1=O)CC(N)=O ZINC001317450039 884195133 /nfs/dbraw/zinc/19/51/33/884195133.db2.gz ALCHILLYZJVLLC-UHFFFAOYSA-N 1 2 284.316 -1.941 20 0 CAADLO C[N@H+](CCNC(=O)C[C@H]1COC(=O)C1)CC(N)=O ZINC001317441958 884195244 /nfs/dbraw/zinc/19/52/44/884195244.db2.gz CQNMZTIXBZRZLE-MRVPVSSYSA-N 1 2 257.290 -1.527 20 0 CAADLO C[N@@H+](CCNC(=O)C[C@H]1COC(=O)C1)CC(N)=O ZINC001317441958 884195249 /nfs/dbraw/zinc/19/52/49/884195249.db2.gz CQNMZTIXBZRZLE-MRVPVSSYSA-N 1 2 257.290 -1.527 20 0 CAADLO C[C@@H](C(=O)N(C)C)[N@H+](C)CCNC(=O)c1cn[nH]n1 ZINC001317452675 884196866 /nfs/dbraw/zinc/19/68/66/884196866.db2.gz GWJYBDMQAFXBME-QMMMGPOBSA-N 1 2 268.321 -1.057 20 0 CAADLO C[C@@H](C(=O)N(C)C)[N@@H+](C)CCNC(=O)c1cn[nH]n1 ZINC001317452675 884196872 /nfs/dbraw/zinc/19/68/72/884196872.db2.gz GWJYBDMQAFXBME-QMMMGPOBSA-N 1 2 268.321 -1.057 20 0 CAADLO C[C@@H](C(=O)N(C)C)[N@H+](C)CCNC(=O)c1cnn[nH]1 ZINC001317452675 884196880 /nfs/dbraw/zinc/19/68/80/884196880.db2.gz GWJYBDMQAFXBME-QMMMGPOBSA-N 1 2 268.321 -1.057 20 0 CAADLO C[C@@H](C(=O)N(C)C)[N@@H+](C)CCNC(=O)c1cnn[nH]1 ZINC001317452675 884196888 /nfs/dbraw/zinc/19/68/88/884196888.db2.gz GWJYBDMQAFXBME-QMMMGPOBSA-N 1 2 268.321 -1.057 20 0 CAADLO CN(C)C(=O)C[N@H+](C)CCNC(=O)C(=O)NCC(F)F ZINC001317452621 884197483 /nfs/dbraw/zinc/19/74/83/884197483.db2.gz GOXJAFJXPZOKCF-UHFFFAOYSA-N 1 2 294.302 -1.496 20 0 CAADLO CN(C)C(=O)C[N@@H+](C)CCNC(=O)C(=O)NCC(F)F ZINC001317452621 884197488 /nfs/dbraw/zinc/19/74/88/884197488.db2.gz GOXJAFJXPZOKCF-UHFFFAOYSA-N 1 2 294.302 -1.496 20 0 CAADLO COc1nn(C)cc1C(=O)NCC[N@H+](C)CC(N)=O ZINC001317460202 884199117 /nfs/dbraw/zinc/19/91/17/884199117.db2.gz YYDBJKILSOEFQK-UHFFFAOYSA-N 1 2 269.305 -1.424 20 0 CAADLO COc1nn(C)cc1C(=O)NCC[N@@H+](C)CC(N)=O ZINC001317460202 884199129 /nfs/dbraw/zinc/19/91/29/884199129.db2.gz YYDBJKILSOEFQK-UHFFFAOYSA-N 1 2 269.305 -1.424 20 0 CAADLO C[C@H](C[N@H+](C)CCNC(=O)C(N)=O)CS(C)(=O)=O ZINC001317459819 884199716 /nfs/dbraw/zinc/19/97/16/884199716.db2.gz RAKNDTDKSDCYEO-MRVPVSSYSA-N 1 2 279.362 -1.800 20 0 CAADLO C[C@H](C[N@@H+](C)CCNC(=O)C(N)=O)CS(C)(=O)=O ZINC001317459819 884199719 /nfs/dbraw/zinc/19/97/19/884199719.db2.gz RAKNDTDKSDCYEO-MRVPVSSYSA-N 1 2 279.362 -1.800 20 0 CAADLO C[N@H+](CCNC(=O)C(N)=O)C[C@H]1CCCS(=O)(=O)C1 ZINC001317459263 884200925 /nfs/dbraw/zinc/20/09/25/884200925.db2.gz LKBZHUHDEFPTLQ-SECBINFHSA-N 1 2 291.373 -1.656 20 0 CAADLO C[N@@H+](CCNC(=O)C(N)=O)C[C@H]1CCCS(=O)(=O)C1 ZINC001317459263 884200948 /nfs/dbraw/zinc/20/09/48/884200948.db2.gz LKBZHUHDEFPTLQ-SECBINFHSA-N 1 2 291.373 -1.656 20 0 CAADLO CN1C(=O)C(=O)N(CC(=O)NCC[N@H+](C)CC(N)=O)C1=O ZINC001317464031 884202562 /nfs/dbraw/zinc/20/25/62/884202562.db2.gz QFLRBXMQZQIERD-UHFFFAOYSA-N 1 2 299.287 -3.060 20 0 CAADLO CN1C(=O)C(=O)N(CC(=O)NCC[N@@H+](C)CC(N)=O)C1=O ZINC001317464031 884202578 /nfs/dbraw/zinc/20/25/78/884202578.db2.gz QFLRBXMQZQIERD-UHFFFAOYSA-N 1 2 299.287 -3.060 20 0 CAADLO C[N@H+](CCNC(=O)C(N)=O)CC(=O)N1CCCCCC1 ZINC001317458838 884204937 /nfs/dbraw/zinc/20/49/37/884204937.db2.gz IBVKWXIEKJFAPW-UHFFFAOYSA-N 1 2 284.360 -1.078 20 0 CAADLO C[N@@H+](CCNC(=O)C(N)=O)CC(=O)N1CCCCCC1 ZINC001317458838 884204956 /nfs/dbraw/zinc/20/49/56/884204956.db2.gz IBVKWXIEKJFAPW-UHFFFAOYSA-N 1 2 284.360 -1.078 20 0 CAADLO CN(C)C(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)C(N)=O ZINC001317506703 884210865 /nfs/dbraw/zinc/21/08/65/884210865.db2.gz CUZRHDYUEFFNMS-MRVPVSSYSA-N 1 2 256.306 -1.860 20 0 CAADLO CN(C)C(=O)C[N@H+]1CCC[C@@H]1CNC(=O)C(N)=O ZINC001317506703 884210881 /nfs/dbraw/zinc/21/08/81/884210881.db2.gz CUZRHDYUEFFNMS-MRVPVSSYSA-N 1 2 256.306 -1.860 20 0 CAADLO CC[N@H+](CCNC(=O)C(N)=O)Cc1nc(=O)n(C)[nH]1 ZINC001317483876 884211088 /nfs/dbraw/zinc/21/10/88/884211088.db2.gz MIVLHZBEDXJFMF-UHFFFAOYSA-N 1 2 270.293 -2.468 20 0 CAADLO CC[N@@H+](CCNC(=O)C(N)=O)Cc1nc(=O)n(C)[nH]1 ZINC001317483876 884211102 /nfs/dbraw/zinc/21/11/02/884211102.db2.gz MIVLHZBEDXJFMF-UHFFFAOYSA-N 1 2 270.293 -2.468 20 0 CAADLO CNC(=O)C[N@H+](CCNC(=O)C(=O)NCC1CC1)C1CC1 ZINC001317557817 884214100 /nfs/dbraw/zinc/21/41/00/884214100.db2.gz MRRLGSONMFWFDZ-UHFFFAOYSA-N 1 2 296.371 -1.161 20 0 CAADLO CNC(=O)C[N@@H+](CCNC(=O)C(=O)NCC1CC1)C1CC1 ZINC001317557817 884214122 /nfs/dbraw/zinc/21/41/22/884214122.db2.gz MRRLGSONMFWFDZ-UHFFFAOYSA-N 1 2 296.371 -1.161 20 0 CAADLO NC(=O)C[N@H+](CCNC(=O)C(=O)NCC1CC1)C1CC1 ZINC001317557739 884217373 /nfs/dbraw/zinc/21/73/73/884217373.db2.gz JNNHKQAGZJJCBK-UHFFFAOYSA-N 1 2 282.344 -1.422 20 0 CAADLO NC(=O)C[N@@H+](CCNC(=O)C(=O)NCC1CC1)C1CC1 ZINC001317557739 884217392 /nfs/dbraw/zinc/21/73/92/884217392.db2.gz JNNHKQAGZJJCBK-UHFFFAOYSA-N 1 2 282.344 -1.422 20 0 CAADLO CNC(=O)Cc1noc(C[NH2+]CCN(C)C(C)=O)n1 ZINC001317562487 884217763 /nfs/dbraw/zinc/21/77/63/884217763.db2.gz RXRPSYMCQGVNIT-UHFFFAOYSA-N 1 2 269.305 -1.074 20 0 CAADLO Cc1noc(C[N@@H+]2CC[C@H](CNC(=O)C(N)=O)C2)n1 ZINC001317538651 884218328 /nfs/dbraw/zinc/21/83/28/884218328.db2.gz XYTLLAWIHVNDQZ-MRVPVSSYSA-N 1 2 267.289 -1.199 20 0 CAADLO Cc1noc(C[N@H+]2CC[C@H](CNC(=O)C(N)=O)C2)n1 ZINC001317538651 884218348 /nfs/dbraw/zinc/21/83/48/884218348.db2.gz XYTLLAWIHVNDQZ-MRVPVSSYSA-N 1 2 267.289 -1.199 20 0 CAADLO CN(CC[NH2+]Cc1nc(=O)n(C)[nH]1)C(=O)CC1(O)CCC1 ZINC001317585884 884222419 /nfs/dbraw/zinc/22/24/19/884222419.db2.gz ONLFDYFXUUODDD-UHFFFAOYSA-N 1 2 297.359 -1.039 20 0 CAADLO CN(CC[NH2+]Cc1nc(=O)n(C)[nH]1)C(=O)CC(N)=O ZINC001317578153 884222518 /nfs/dbraw/zinc/22/25/18/884222518.db2.gz YUKAKUDPFDPKIY-UHFFFAOYSA-N 1 2 270.293 -2.468 20 0 CAADLO CN(CC[NH2+]Cc1ncccn1)C(=O)c1nnn(C)n1 ZINC001317619801 884224558 /nfs/dbraw/zinc/22/45/58/884224558.db2.gz JRCMNOUGKPISAU-UHFFFAOYSA-N 1 2 276.304 -1.138 20 0 CAADLO Cc1noc(C[NH2+]CCN(C)C(=O)c2nnn(C)n2)n1 ZINC001317619602 884225159 /nfs/dbraw/zinc/22/51/59/884225159.db2.gz DPLIICYOVFEBDU-UHFFFAOYSA-N 1 2 280.292 -1.237 20 0 CAADLO CN(CC[NH2+]Cc1nnnn1C(C)(C)C)C(=O)C(N)=O ZINC001317627569 884229946 /nfs/dbraw/zinc/22/99/46/884229946.db2.gz PCBATYUAAVFTFX-UHFFFAOYSA-N 1 2 283.336 -1.539 20 0 CAADLO CN(CC[NH2+]Cc1cnn(C)n1)C(=O)C(=O)NCC1CC1 ZINC001317645990 884231895 /nfs/dbraw/zinc/23/18/95/884231895.db2.gz QYWSQBRPELUJSW-UHFFFAOYSA-N 1 2 294.359 -1.111 20 0 CAADLO CN(CCNCc1nnn(C)n1)C(=O)Cc1c[nH+]cn1C ZINC001317654087 884232463 /nfs/dbraw/zinc/23/24/63/884232463.db2.gz IAHCKHAALBDIOT-UHFFFAOYSA-N 1 2 292.347 -1.266 20 0 CAADLO CN(CC[NH2+]Cc1cnon1)C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001317636239 884233518 /nfs/dbraw/zinc/23/35/18/884233518.db2.gz NRWQVHUIDCICEN-QMMMGPOBSA-N 1 2 296.287 -1.784 20 0 CAADLO CN(CC[NH2+]Cc1nc(=O)n(C)[nH]1)C(=O)c1n[nH]cc1F ZINC001317632928 884233724 /nfs/dbraw/zinc/23/37/24/884233724.db2.gz NFESMHUKFIISLK-UHFFFAOYSA-N 1 2 297.294 -1.168 20 0 CAADLO CNC(=O)C[N@H+](C)Cc1cc(=O)n(C)c(=O)n1C ZINC001317899603 884242086 /nfs/dbraw/zinc/24/20/86/884242086.db2.gz ANIULILQPPYOOD-UHFFFAOYSA-N 1 2 254.290 -1.738 20 0 CAADLO CNC(=O)C[N@@H+](C)Cc1cc(=O)n(C)c(=O)n1C ZINC001317899603 884242101 /nfs/dbraw/zinc/24/21/01/884242101.db2.gz ANIULILQPPYOOD-UHFFFAOYSA-N 1 2 254.290 -1.738 20 0 CAADLO CNC(=O)C1(C(=O)N[C@@H]2CCC[N@@H+]([C@H](C)C(N)=O)C2)CC1 ZINC001317947533 884242621 /nfs/dbraw/zinc/24/26/21/884242621.db2.gz BGCWJYFIRSMQBO-NXEZZACHSA-N 1 2 296.371 -1.033 20 0 CAADLO CNC(=O)C1(C(=O)N[C@@H]2CCC[N@H+]([C@H](C)C(N)=O)C2)CC1 ZINC001317947533 884242641 /nfs/dbraw/zinc/24/26/41/884242641.db2.gz BGCWJYFIRSMQBO-NXEZZACHSA-N 1 2 296.371 -1.033 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(NC(=O)c2cnccn2)C1 ZINC001317995976 884244830 /nfs/dbraw/zinc/24/48/30/884244830.db2.gz YXZYCFPVMZPCAH-JTQLQIEISA-N 1 2 266.301 -1.102 20 0 CAADLO CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)C2(C(N)=O)CC2)C1 ZINC001317981815 884244422 /nfs/dbraw/zinc/24/44/22/884244422.db2.gz SEWQLALHXRYPDP-JTQLQIEISA-N 1 2 296.371 -1.031 20 0 CAADLO CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)C2(C(N)=O)CC2)C1 ZINC001317981815 884244437 /nfs/dbraw/zinc/24/44/37/884244437.db2.gz SEWQLALHXRYPDP-JTQLQIEISA-N 1 2 296.371 -1.031 20 0 CAADLO COCCOCC[NH+]1CC(NC(=O)CNC(C)=O)C1 ZINC001317995889 884244719 /nfs/dbraw/zinc/24/47/19/884244719.db2.gz XLDSYTYYLJGBOY-UHFFFAOYSA-N 1 2 273.333 -1.414 20 0 CAADLO CC(C)NC(=O)C[N@@H+]1CC[C@@H](NC(=O)C(N)=O)C1 ZINC001318351715 884270134 /nfs/dbraw/zinc/27/01/34/884270134.db2.gz QWDIQFUEKDDGPE-MRVPVSSYSA-N 1 2 256.306 -1.813 20 0 CAADLO CC(C)NC(=O)C[N@H+]1CC[C@@H](NC(=O)C(N)=O)C1 ZINC001318351715 884270149 /nfs/dbraw/zinc/27/01/49/884270149.db2.gz QWDIQFUEKDDGPE-MRVPVSSYSA-N 1 2 256.306 -1.813 20 0 CAADLO COCC(=O)NC1C[NH+](C[C@@H](O)Cn2cccn2)C1 ZINC001317995715 884246405 /nfs/dbraw/zinc/24/64/05/884246405.db2.gz UMYJQTHSZICHDX-LLVKDONJSA-N 1 2 268.317 -1.309 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(NC(=O)Cc2cc[nH]n2)C1 ZINC001318011802 884246652 /nfs/dbraw/zinc/24/66/52/884246652.db2.gz QRCMGTLSURIYIC-NSHDSACASA-N 1 2 268.317 -1.240 20 0 CAADLO O=C(C[C@@H]1CCC(=O)NC1)NC1C[NH+](CCOCCO)C1 ZINC001318030905 884247257 /nfs/dbraw/zinc/24/72/57/884247257.db2.gz GISKBHXPFOZPHT-NSHDSACASA-N 1 2 299.371 -1.288 20 0 CAADLO CNC(=O)NCC(=O)NC1C[NH+]([C@@H](C)COC)C1 ZINC001318031022 884247490 /nfs/dbraw/zinc/24/74/90/884247490.db2.gz HYXXKRJAIVZIMO-QMMMGPOBSA-N 1 2 258.322 -1.249 20 0 CAADLO Cn1cc(C(=O)NC2C[NH+](CCOCCO)C2)[nH]c1=O ZINC001318059628 884247945 /nfs/dbraw/zinc/24/79/45/884247945.db2.gz RKOWGANIOAYPOH-UHFFFAOYSA-N 1 2 284.316 -1.451 20 0 CAADLO O=C(C[C@H]1CCC(=O)NC1)NC1C[NH+](CCOCCO)C1 ZINC001318030903 884248332 /nfs/dbraw/zinc/24/83/32/884248332.db2.gz GISKBHXPFOZPHT-LLVKDONJSA-N 1 2 299.371 -1.288 20 0 CAADLO CC[C@]1(C(=O)NC2C[NH+](C[C@@H](O)COC)C2)CCNC1=O ZINC001318032088 884248815 /nfs/dbraw/zinc/24/88/15/884248815.db2.gz HZDYRVQPECYKAF-RISCZKNCSA-N 1 2 299.371 -1.290 20 0 CAADLO CCOCC[NH+]1CC(NC(=O)CN2CCNC(=O)C2)C1 ZINC001318051725 884249145 /nfs/dbraw/zinc/24/91/45/884249145.db2.gz OQVNJDAQRRGGHQ-UHFFFAOYSA-N 1 2 284.360 -1.745 20 0 CAADLO O=C(C[C@@H]1CCCC(=O)N1)NC1C[NH+](CCOCCO)C1 ZINC001318042139 884249269 /nfs/dbraw/zinc/24/92/69/884249269.db2.gz QMMUIPMPLAXAEG-NSHDSACASA-N 1 2 299.371 -1.146 20 0 CAADLO O=C(NC1C[NH+](CCOCCO)C1)[C@@H]1CCNC(=O)CC1 ZINC001318046748 884249330 /nfs/dbraw/zinc/24/93/30/884249330.db2.gz DONJTZJRYCZVRD-NSHDSACASA-N 1 2 299.371 -1.288 20 0 CAADLO COCC[NH+]1CC(NC(=O)CCN2C(=O)CCC2=O)C1 ZINC001318041938 884250112 /nfs/dbraw/zinc/25/01/12/884250112.db2.gz NWPQMMSRXJRRTR-UHFFFAOYSA-N 1 2 283.328 -1.028 20 0 CAADLO NC(=O)[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)CCO1 ZINC001318084802 884250664 /nfs/dbraw/zinc/25/06/64/884250664.db2.gz LOJFWQLQAUANFG-QMMMGPOBSA-N 1 2 255.274 -1.679 20 0 CAADLO NC(=O)[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)CCO1 ZINC001318084802 884250677 /nfs/dbraw/zinc/25/06/77/884250677.db2.gz LOJFWQLQAUANFG-QMMMGPOBSA-N 1 2 255.274 -1.679 20 0 CAADLO CC(C)NC(=O)C[NH+]1CC(CNC(=O)CC(N)=O)C1 ZINC001318110354 884250862 /nfs/dbraw/zinc/25/08/62/884250862.db2.gz PRIURRHNHDYNFZ-UHFFFAOYSA-N 1 2 270.333 -1.566 20 0 CAADLO COC[C@H](O)C[NH+]1CC(NC(=O)C[C@H]2CC(=O)NC2=O)C1 ZINC001318099821 884251769 /nfs/dbraw/zinc/25/17/69/884251769.db2.gz YEAWHDVMULJDIA-WCBMZHEXSA-N 1 2 299.327 -2.153 20 0 CAADLO NC(=O)[C@H]1C[N@H+](CCCS(N)(=O)=O)CCO1 ZINC001318681747 884293012 /nfs/dbraw/zinc/29/30/12/884293012.db2.gz KFPFHDUAIOHWEU-SSDOTTSWSA-N 1 2 251.308 -2.149 20 0 CAADLO NC(=O)[C@H]1C[N@@H+](CCCS(N)(=O)=O)CCO1 ZINC001318681747 884293029 /nfs/dbraw/zinc/29/30/29/884293029.db2.gz KFPFHDUAIOHWEU-SSDOTTSWSA-N 1 2 251.308 -2.149 20 0 CAADLO COC[C@H](O)C[NH+]1CC(NC(=O)c2ncccn2)C1 ZINC001318070475 884252369 /nfs/dbraw/zinc/25/23/69/884252369.db2.gz AGTQRMNOTZUKDI-SNVBAGLBSA-N 1 2 266.301 -1.102 20 0 CAADLO COC[C@H](O)C[NH+]1CC(NC(=O)C[C@@H]2CC(=O)NC2=O)C1 ZINC001318099816 884252448 /nfs/dbraw/zinc/25/24/48/884252448.db2.gz YEAWHDVMULJDIA-PSASIEDQSA-N 1 2 299.327 -2.153 20 0 CAADLO Cn1nccc1C[NH+]1CC(CNC(=O)C(N)=O)C1 ZINC001318148915 884255471 /nfs/dbraw/zinc/25/54/71/884255471.db2.gz MKHNYWLCKWWSFQ-UHFFFAOYSA-N 1 2 251.290 -1.547 20 0 CAADLO CNC(=O)C[NH+]1CC(CNC(=O)C[C@@H]2CC(=O)NC2=O)C1 ZINC001318184713 884255883 /nfs/dbraw/zinc/25/58/83/884255883.db2.gz MEFLMRPPEJOQLU-SECBINFHSA-N 1 2 296.327 -2.167 20 0 CAADLO CNC(=O)C[NH+]1CC(CNC(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001318128879 884258010 /nfs/dbraw/zinc/25/80/10/884258010.db2.gz ZKZAHRXIFZRUTR-QMMMGPOBSA-N 1 2 297.315 -2.622 20 0 CAADLO NC(=O)C[NH+]1CC(CNC(=O)CC2(O)CCC2)C1 ZINC001318118968 884258592 /nfs/dbraw/zinc/25/85/92/884258592.db2.gz IQYDJIPGQFGVSO-UHFFFAOYSA-N 1 2 255.318 -1.175 20 0 CAADLO COCCOCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(N)=O ZINC001318216344 884260573 /nfs/dbraw/zinc/26/05/73/884260573.db2.gz MZJHCEOWBGRKJK-UWVGGRQHSA-N 1 2 271.317 -1.580 20 0 CAADLO COCCOCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(N)=O ZINC001318216344 884260563 /nfs/dbraw/zinc/26/05/63/884260563.db2.gz MZJHCEOWBGRKJK-UWVGGRQHSA-N 1 2 271.317 -1.580 20 0 CAADLO COCCNC(=O)CN1CC[NH+](CCn2cncn2)CC1 ZINC001318189916 884262812 /nfs/dbraw/zinc/26/28/12/884262812.db2.gz RSXSASGRLCARHK-UHFFFAOYSA-N 1 2 296.375 -1.342 20 0 CAADLO CC(C)CNC(=O)C[N@@H+]1CC[C@H](NC(=O)CC(N)=O)C1 ZINC001318244733 884263735 /nfs/dbraw/zinc/26/37/35/884263735.db2.gz MOZCVKBCCSVPMV-JTQLQIEISA-N 1 2 284.360 -1.176 20 0 CAADLO CC(C)CNC(=O)C[N@H+]1CC[C@H](NC(=O)CC(N)=O)C1 ZINC001318244733 884263757 /nfs/dbraw/zinc/26/37/57/884263757.db2.gz MOZCVKBCCSVPMV-JTQLQIEISA-N 1 2 284.360 -1.176 20 0 CAADLO O=C(N[C@H]1CC[N@@H+](CCOCCO)C1)c1ncn[nH]1 ZINC001318291464 884266051 /nfs/dbraw/zinc/26/60/51/884266051.db2.gz NXJZLVVJNIBJPH-VIFPVBQESA-N 1 2 269.305 -1.382 20 0 CAADLO O=C(N[C@H]1CC[N@H+](CCOCCO)C1)c1ncn[nH]1 ZINC001318291464 884266061 /nfs/dbraw/zinc/26/60/61/884266061.db2.gz NXJZLVVJNIBJPH-VIFPVBQESA-N 1 2 269.305 -1.382 20 0 CAADLO CCS(=O)(=O)NCC[N@@H+]1CC[C@H](NC(=O)C(N)=O)C1 ZINC001318273495 884266690 /nfs/dbraw/zinc/26/66/90/884266690.db2.gz UETPIJBTDKTZEY-QMMMGPOBSA-N 1 2 292.361 -2.399 20 0 CAADLO CCS(=O)(=O)NCC[N@H+]1CC[C@H](NC(=O)C(N)=O)C1 ZINC001318273495 884266709 /nfs/dbraw/zinc/26/67/09/884266709.db2.gz UETPIJBTDKTZEY-QMMMGPOBSA-N 1 2 292.361 -2.399 20 0 CAADLO C[N@H+](CCCN1C(=O)CNC1=O)CCS(C)(=O)=O ZINC001318305124 884267328 /nfs/dbraw/zinc/26/73/28/884267328.db2.gz WNNDUEVHTQGFQA-UHFFFAOYSA-N 1 2 277.346 -1.095 20 0 CAADLO C[N@@H+](CCCN1C(=O)CNC1=O)CCS(C)(=O)=O ZINC001318305124 884267345 /nfs/dbraw/zinc/26/73/45/884267345.db2.gz WNNDUEVHTQGFQA-UHFFFAOYSA-N 1 2 277.346 -1.095 20 0 CAADLO CCCCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](NC(=O)C(N)=O)C1 ZINC001318351176 884269385 /nfs/dbraw/zinc/26/93/85/884269385.db2.gz CKTRKMNABISQEN-VHSXEESVSA-N 1 2 284.360 -1.033 20 0 CAADLO CCCCNC(=O)[C@H](C)[N@H+]1CC[C@@H](NC(=O)C(N)=O)C1 ZINC001318351176 884269400 /nfs/dbraw/zinc/26/94/00/884269400.db2.gz CKTRKMNABISQEN-VHSXEESVSA-N 1 2 284.360 -1.033 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)COCCCOC)C1 ZINC001318366212 884272288 /nfs/dbraw/zinc/27/22/88/884272288.db2.gz XGMYBZQCDJEYAH-LLVKDONJSA-N 1 2 287.360 -1.024 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)COCCCOC)C1 ZINC001318366212 884272308 /nfs/dbraw/zinc/27/23/08/884272308.db2.gz XGMYBZQCDJEYAH-LLVKDONJSA-N 1 2 287.360 -1.024 20 0 CAADLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)Cn1cnnn1 ZINC001318375395 884272981 /nfs/dbraw/zinc/27/29/81/884272981.db2.gz LKPKRZYCKUMGOP-SNVBAGLBSA-N 1 2 267.337 -1.575 20 0 CAADLO C[N@H+](CCN1C(=O)CNC1=O)[C@@H]1CCS(=O)(=O)C1 ZINC001318365490 884273182 /nfs/dbraw/zinc/27/31/82/884273182.db2.gz MPUYKOHIRWIYGA-MRVPVSSYSA-N 1 2 275.330 -1.343 20 0 CAADLO C[N@@H+](CCN1C(=O)CNC1=O)[C@@H]1CCS(=O)(=O)C1 ZINC001318365490 884273192 /nfs/dbraw/zinc/27/31/92/884273192.db2.gz MPUYKOHIRWIYGA-MRVPVSSYSA-N 1 2 275.330 -1.343 20 0 CAADLO CC(C)NC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)C(N)=O)C1 ZINC001318423330 884274221 /nfs/dbraw/zinc/27/42/21/884274221.db2.gz DXMFSJGLKHWSDZ-SECBINFHSA-N 1 2 270.333 -1.471 20 0 CAADLO CC(C)NC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)C(N)=O)C1 ZINC001318423330 884274237 /nfs/dbraw/zinc/27/42/37/884274237.db2.gz DXMFSJGLKHWSDZ-SECBINFHSA-N 1 2 270.333 -1.471 20 0 CAADLO CN(C)C(=O)CNC(=S)NC[C@H]1CN(C)CC[N@@H+]1C ZINC001318409931 884274400 /nfs/dbraw/zinc/27/44/00/884274400.db2.gz SMIUDZPGDDXMGD-JTQLQIEISA-N 1 2 287.433 -1.216 20 0 CAADLO CN(C)C(=O)CNC(=S)NC[C@H]1CN(C)CC[N@H+]1C ZINC001318409931 884274413 /nfs/dbraw/zinc/27/44/13/884274413.db2.gz SMIUDZPGDDXMGD-JTQLQIEISA-N 1 2 287.433 -1.216 20 0 CAADLO O=C(CCn1cc[nH]c(=O)c1=O)NCCn1cc[nH+]c1 ZINC001318451414 884274745 /nfs/dbraw/zinc/27/47/45/884274745.db2.gz MUEMTTXEAZNFPB-UHFFFAOYSA-N 1 2 277.284 -1.060 20 0 CAADLO CCNC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)C(N)=O)C1 ZINC001318425959 884278766 /nfs/dbraw/zinc/27/87/66/884278766.db2.gz RHOCGVPTUMNISW-MRVPVSSYSA-N 1 2 256.306 -1.860 20 0 CAADLO CCNC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)C(N)=O)C1 ZINC001318425959 884278785 /nfs/dbraw/zinc/27/87/85/884278785.db2.gz RHOCGVPTUMNISW-MRVPVSSYSA-N 1 2 256.306 -1.860 20 0 CAADLO CCN(C)C(=O)C[N@@H+]1CC[C@@H](N(CC)C(=O)C(N)=O)C1 ZINC001318483745 884279666 /nfs/dbraw/zinc/27/96/66/884279666.db2.gz SVKRPDBLFLUUNW-SNVBAGLBSA-N 1 2 284.360 -1.127 20 0 CAADLO CCN(C)C(=O)C[N@H+]1CC[C@@H](N(CC)C(=O)C(N)=O)C1 ZINC001318483745 884279682 /nfs/dbraw/zinc/27/96/82/884279682.db2.gz SVKRPDBLFLUUNW-SNVBAGLBSA-N 1 2 284.360 -1.127 20 0 CAADLO CCN(C(=O)C(N)=O)[C@H]1CC[N@@H+]([C@@H](C)C(N)=O)C1 ZINC001318484809 884280357 /nfs/dbraw/zinc/28/03/57/884280357.db2.gz ZHGIZWAPEYWGRW-YUMQZZPRSA-N 1 2 256.306 -1.732 20 0 CAADLO CCN(C(=O)C(N)=O)[C@H]1CC[N@H+]([C@@H](C)C(N)=O)C1 ZINC001318484809 884280371 /nfs/dbraw/zinc/28/03/71/884280371.db2.gz ZHGIZWAPEYWGRW-YUMQZZPRSA-N 1 2 256.306 -1.732 20 0 CAADLO CC[C@H](CNC(=O)CC(N)=O)[NH2+]Cc1nnn(C)n1 ZINC001318511889 884280833 /nfs/dbraw/zinc/28/08/33/884280833.db2.gz LRNSYIFWQBJFTA-SSDOTTSWSA-N 1 2 269.309 -1.930 20 0 CAADLO CCN(C(=O)C(N)=O)[C@@H]1CC[N@@H+]([C@H](C)C(N)=O)C1 ZINC001318484798 884281469 /nfs/dbraw/zinc/28/14/69/884281469.db2.gz ZHGIZWAPEYWGRW-HTQZYQBOSA-N 1 2 256.306 -1.732 20 0 CAADLO CCN(C(=O)C(N)=O)[C@@H]1CC[N@H+]([C@H](C)C(N)=O)C1 ZINC001318484798 884281486 /nfs/dbraw/zinc/28/14/86/884281486.db2.gz ZHGIZWAPEYWGRW-HTQZYQBOSA-N 1 2 256.306 -1.732 20 0 CAADLO C[C@H](CNC(=O)CN1C(=O)CNC1=O)[NH+]1CCN(C)CC1 ZINC001318604773 884287804 /nfs/dbraw/zinc/28/78/04/884287804.db2.gz MNLBOBWLRVMDAS-SNVBAGLBSA-N 1 2 297.359 -1.710 20 0 CAADLO C[C@@H](CNC(=O)CN1C(=O)CNC1=O)[NH+]1CCN(C)CC1 ZINC001318604753 884288677 /nfs/dbraw/zinc/28/86/77/884288677.db2.gz MNLBOBWLRVMDAS-JTQLQIEISA-N 1 2 297.359 -1.710 20 0 CAADLO Cn1nnc(C[NH2+]C[C@](C)(NC(=O)CC(N)=O)C2CC2)n1 ZINC001318687858 884293971 /nfs/dbraw/zinc/29/39/71/884293971.db2.gz QORVKPXQJZVLCV-LBPRGKRZSA-N 1 2 295.347 -1.540 20 0 CAADLO CN1C(=O)C(=O)N(CC(=O)N2CC(n3cc[nH+]c3)C2)C1=O ZINC001318832734 884295612 /nfs/dbraw/zinc/29/56/12/884295612.db2.gz GPXDAELCMLVJNO-UHFFFAOYSA-N 1 2 291.267 -1.313 20 0 CAADLO C[C@H](NC(=O)C[NH+](CCO)CCO)C(=O)N(C)C ZINC001319181270 884315155 /nfs/dbraw/zinc/31/51/55/884315155.db2.gz IDMWVPXDFZZPBX-VIFPVBQESA-N 1 2 261.322 -2.134 20 0 CAADLO O=C(Cn1cccn1)NC[C@@H]1C[N@H+](CCO)CCO1 ZINC001319295195 884318093 /nfs/dbraw/zinc/31/80/93/884318093.db2.gz LICQJUZWIKAMLZ-LLVKDONJSA-N 1 2 268.317 -1.308 20 0 CAADLO O=C(Cn1cccn1)NC[C@@H]1C[N@@H+](CCO)CCO1 ZINC001319295195 884318107 /nfs/dbraw/zinc/31/81/07/884318107.db2.gz LICQJUZWIKAMLZ-LLVKDONJSA-N 1 2 268.317 -1.308 20 0 CAADLO C[C@@H](C(=O)NC(N)=O)[N@H+](C)CCNS(C)(=O)=O ZINC001319424920 884326058 /nfs/dbraw/zinc/32/60/58/884326058.db2.gz WHPZHNHEASJPOE-LURJTMIESA-N 1 2 266.323 -1.949 20 0 CAADLO C[C@@H](C(=O)NC(N)=O)[N@@H+](C)CCNS(C)(=O)=O ZINC001319424920 884326075 /nfs/dbraw/zinc/32/60/75/884326075.db2.gz WHPZHNHEASJPOE-LURJTMIESA-N 1 2 266.323 -1.949 20 0 CAADLO C[C@H](C(=O)NC(N)=O)[N@@H+](C)CCNS(C)(=O)=O ZINC001319424923 884327472 /nfs/dbraw/zinc/32/74/72/884327472.db2.gz WHPZHNHEASJPOE-ZCFIWIBFSA-N 1 2 266.323 -1.949 20 0 CAADLO NC(=O)CC(=O)NC[C@H]1C[N@H+](CCn2cccn2)CCO1 ZINC001319299214 884324622 /nfs/dbraw/zinc/32/46/22/884324622.db2.gz ZDDVDQYUDRDMJM-NSHDSACASA-N 1 2 295.343 -1.425 20 0 CAADLO NC(=O)CC(=O)NC[C@H]1C[N@@H+](CCn2cccn2)CCO1 ZINC001319299214 884324641 /nfs/dbraw/zinc/32/46/41/884324641.db2.gz ZDDVDQYUDRDMJM-NSHDSACASA-N 1 2 295.343 -1.425 20 0 CAADLO C[C@H](C(=O)NC(N)=O)[N@H+](C)CCNS(C)(=O)=O ZINC001319424923 884327453 /nfs/dbraw/zinc/32/74/53/884327453.db2.gz WHPZHNHEASJPOE-ZCFIWIBFSA-N 1 2 266.323 -1.949 20 0 CAADLO C[NH+](C)CCNC(=O)Cn1[nH]cc2c(=O)ncnc1-2 ZINC001319411061 884328666 /nfs/dbraw/zinc/32/86/66/884328666.db2.gz TWWHIFPOKVESAQ-UHFFFAOYSA-N 1 2 264.289 -1.251 20 0 CAADLO Cc1noc(C[NH2+]C[C@@H](C)N(C)C(=O)C(N)=O)n1 ZINC001319525850 884333245 /nfs/dbraw/zinc/33/32/45/884333245.db2.gz SBFADDRFJHZHBM-ZCFIWIBFSA-N 1 2 255.278 -1.200 20 0 CAADLO C[C@@H](C(=O)N(C)C)[N@H+](C)CCNS(C)(=O)=O ZINC001319534367 884336323 /nfs/dbraw/zinc/33/63/23/884336323.db2.gz HMBLQMKYLYLKGF-QMMMGPOBSA-N 1 2 251.352 -1.056 20 0 CAADLO C[C@@H](C(=O)N(C)C)[N@@H+](C)CCNS(C)(=O)=O ZINC001319534367 884336338 /nfs/dbraw/zinc/33/63/38/884336338.db2.gz HMBLQMKYLYLKGF-QMMMGPOBSA-N 1 2 251.352 -1.056 20 0 CAADLO NC(=O)NCCCCC(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC001319567354 884338505 /nfs/dbraw/zinc/33/85/05/884338505.db2.gz KEPBAJQSNGMZTR-NSHDSACASA-N 1 2 283.376 -1.059 20 0 CAADLO CC(C)(CNC(=O)C[C@@H]1NC(=O)NC1=O)[NH+]1CCOCC1 ZINC001319617882 884343742 /nfs/dbraw/zinc/34/37/42/884343742.db2.gz VQJOKWKGLFNHPS-VIFPVBQESA-N 1 2 298.343 -1.189 20 0 CAADLO O=C(NCCC[N@@H+]1CCNC(=O)C1)c1ccc(=O)[nH]n1 ZINC001319823760 884351762 /nfs/dbraw/zinc/35/17/62/884351762.db2.gz GVZHYTGAYTUJPB-UHFFFAOYSA-N 1 2 279.300 -1.266 20 0 CAADLO O=C(NCCC[N@H+]1CCNC(=O)C1)c1ccc(=O)[nH]n1 ZINC001319823760 884351773 /nfs/dbraw/zinc/35/17/73/884351773.db2.gz GVZHYTGAYTUJPB-UHFFFAOYSA-N 1 2 279.300 -1.266 20 0 CAADLO NS(=O)(=O)CCC[N@@H+]1CCN2C(=O)NC(=O)[C@H]2C1 ZINC001319901528 884359755 /nfs/dbraw/zinc/35/97/55/884359755.db2.gz FOTANZJYHGQIIQ-SSDOTTSWSA-N 1 2 276.318 -2.099 20 0 CAADLO NS(=O)(=O)CCC[N@H+]1CCN2C(=O)NC(=O)[C@H]2C1 ZINC001319901528 884359772 /nfs/dbraw/zinc/35/97/72/884359772.db2.gz FOTANZJYHGQIIQ-SSDOTTSWSA-N 1 2 276.318 -2.099 20 0 CAADLO O=C1CCC(=O)N1CC[N@@H+]1CCN2C(=O)NC(=O)[C@H]2C1 ZINC001319902349 884359894 /nfs/dbraw/zinc/35/98/94/884359894.db2.gz AQWLNNCBUUIVMI-MRVPVSSYSA-N 1 2 280.284 -1.629 20 0 CAADLO O=C1CCC(=O)N1CC[N@H+]1CCN2C(=O)NC(=O)[C@H]2C1 ZINC001319902349 884359903 /nfs/dbraw/zinc/35/99/03/884359903.db2.gz AQWLNNCBUUIVMI-MRVPVSSYSA-N 1 2 280.284 -1.629 20 0 CAADLO NS(=O)(=O)CCC[N@@H+]1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC001319901529 884360541 /nfs/dbraw/zinc/36/05/41/884360541.db2.gz FOTANZJYHGQIIQ-ZETCQYMHSA-N 1 2 276.318 -2.099 20 0 CAADLO NS(=O)(=O)CCC[N@H+]1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC001319901529 884360551 /nfs/dbraw/zinc/36/05/51/884360551.db2.gz FOTANZJYHGQIIQ-ZETCQYMHSA-N 1 2 276.318 -2.099 20 0 CAADLO CC(C)[C@@H](CNC(=O)C(N)=O)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001319942596 884362384 /nfs/dbraw/zinc/36/23/84/884362384.db2.gz FAVQQMSNGGOCFP-SSDOTTSWSA-N 1 2 284.320 -2.176 20 0 CAADLO O=C(CO[C@H]1CCOC1)NC[C@@H]1C[NH+]2CCN1CC2 ZINC001319982121 884368578 /nfs/dbraw/zinc/36/85/78/884368578.db2.gz PQGLUQBNSDRNQQ-NEPJUHHUSA-N 1 2 269.345 -1.092 20 0 CAADLO Cc1nonc1C(=O)N(C)CC[N@H+](C)CC(N)=O ZINC001320090721 884375352 /nfs/dbraw/zinc/37/53/52/884375352.db2.gz PEHGJHHDDZWGKB-UHFFFAOYSA-N 1 2 255.278 -1.133 20 0 CAADLO Cc1nonc1C(=O)N(C)CC[N@@H+](C)CC(N)=O ZINC001320090721 884375371 /nfs/dbraw/zinc/37/53/71/884375371.db2.gz PEHGJHHDDZWGKB-UHFFFAOYSA-N 1 2 255.278 -1.133 20 0 CAADLO O=C1NC(=O)N2CC[N@@H+](CCn3cncn3)C[C@H]12 ZINC001320160880 884378615 /nfs/dbraw/zinc/37/86/15/884378615.db2.gz ZXDJAJBNHGLAJZ-MRVPVSSYSA-N 1 2 250.262 -1.486 20 0 CAADLO O=C1NC(=O)N2CC[N@H+](CCn3cncn3)C[C@H]12 ZINC001320160880 884378595 /nfs/dbraw/zinc/37/85/95/884378595.db2.gz ZXDJAJBNHGLAJZ-MRVPVSSYSA-N 1 2 250.262 -1.486 20 0 CAADLO NC(=O)CC(=O)NC[C@H](O)C[NH2+]Cc1csnn1 ZINC001320202506 884387474 /nfs/dbraw/zinc/38/74/74/884387474.db2.gz OXSSNNKMHGGHPY-SSDOTTSWSA-N 1 2 273.318 -2.020 20 0 CAADLO Cc1noc(C[NH2+]C[C@@H](O)CNC(=O)[C@H]2CCNC2=O)n1 ZINC001320256774 884402480 /nfs/dbraw/zinc/40/24/80/884402480.db2.gz JNZXPDRKTHFQIW-BDAKNGLRSA-N 1 2 297.315 -1.919 20 0 CAADLO Cc1noc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2CCNC2=O)n1 ZINC001320256781 884403079 /nfs/dbraw/zinc/40/30/79/884403079.db2.gz JNZXPDRKTHFQIW-RKDXNWHRSA-N 1 2 297.315 -1.919 20 0 CAADLO Cc1noc(C[NH2+]C[C@H](O)CNC(=O)[C@@H]2CCNC2=O)n1 ZINC001320256778 884403174 /nfs/dbraw/zinc/40/31/74/884403174.db2.gz JNZXPDRKTHFQIW-DTWKUNHWSA-N 1 2 297.315 -1.919 20 0 CAADLO O=C1NC[C@@H]2C[N@@H+]([C@@H]3CCC(=O)NC3=O)CCN12 ZINC001320389861 884421168 /nfs/dbraw/zinc/42/11/68/884421168.db2.gz OJAZDZXSPDYSAN-HTQZYQBOSA-N 1 2 252.274 -1.499 20 0 CAADLO O=C1NC[C@@H]2C[N@H+]([C@@H]3CCC(=O)NC3=O)CCN12 ZINC001320389861 884421172 /nfs/dbraw/zinc/42/11/72/884421172.db2.gz OJAZDZXSPDYSAN-HTQZYQBOSA-N 1 2 252.274 -1.499 20 0 CAADLO CN(Cc1cnnn1C)C[C@H](O)C[NH+]1CCOCC1 ZINC001320509778 884426726 /nfs/dbraw/zinc/42/67/26/884426726.db2.gz RSSZURGKPSTSJP-LBPRGKRZSA-N 1 2 269.349 -1.060 20 0 CAADLO Cn1nncc1C[N@H+](C)C[C@H](O)CN1CCOCC1 ZINC001320509778 884426739 /nfs/dbraw/zinc/42/67/39/884426739.db2.gz RSSZURGKPSTSJP-LBPRGKRZSA-N 1 2 269.349 -1.060 20 0 CAADLO Cn1nncc1C[N@@H+](C)C[C@H](O)CN1CCOCC1 ZINC001320509778 884426749 /nfs/dbraw/zinc/42/67/49/884426749.db2.gz RSSZURGKPSTSJP-LBPRGKRZSA-N 1 2 269.349 -1.060 20 0 CAADLO COCCc1nc(C[NH2+]CC[C@H](C)NC(=O)C(N)=O)no1 ZINC001320535773 884428582 /nfs/dbraw/zinc/42/85/82/884428582.db2.gz RSIHAGIBLLZARX-QMMMGPOBSA-N 1 2 299.331 -1.272 20 0 CAADLO COC(=O)[C@@H]1C[C@@H](O)C[N@H+]1CCCN1C(=O)CNC1=O ZINC001320783962 884449409 /nfs/dbraw/zinc/44/94/09/884449409.db2.gz YGANPCPVHHJTSP-BDAKNGLRSA-N 1 2 285.300 -1.464 20 0 CAADLO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+]1CCCN1C(=O)CNC1=O ZINC001320783962 884449398 /nfs/dbraw/zinc/44/93/98/884449398.db2.gz YGANPCPVHHJTSP-BDAKNGLRSA-N 1 2 285.300 -1.464 20 0 CAADLO Cn1ncc(C[NH2+]C/C=C\CNC(=O)[C@H]2COCCO2)n1 ZINC001320980720 884457365 /nfs/dbraw/zinc/45/73/65/884457365.db2.gz VMGVXUIXAPYWLB-ZZKXABKFSA-N 1 2 295.343 -1.008 20 0 CAADLO CS(=O)(=O)NCC[N@@H+]1CCC[C@]2(C1)NC(=O)NC2=O ZINC001320963908 884457999 /nfs/dbraw/zinc/45/79/99/884457999.db2.gz KTVKDJGYKNQPJH-SNVBAGLBSA-N 1 2 290.345 -1.790 20 0 CAADLO CS(=O)(=O)NCC[N@H+]1CCC[C@]2(C1)NC(=O)NC2=O ZINC001320963908 884458007 /nfs/dbraw/zinc/45/80/07/884458007.db2.gz KTVKDJGYKNQPJH-SNVBAGLBSA-N 1 2 290.345 -1.790 20 0 CAADLO CS(=O)(=O)NCC[N@@H+]1CCC[C@@]2(C1)NC(=O)NC2=O ZINC001320963907 884458498 /nfs/dbraw/zinc/45/84/98/884458498.db2.gz KTVKDJGYKNQPJH-JTQLQIEISA-N 1 2 290.345 -1.790 20 0 CAADLO CS(=O)(=O)NCC[N@H+]1CCC[C@@]2(C1)NC(=O)NC2=O ZINC001320963907 884458512 /nfs/dbraw/zinc/45/85/12/884458512.db2.gz KTVKDJGYKNQPJH-JTQLQIEISA-N 1 2 290.345 -1.790 20 0 CAADLO Cn1ncc(C[NH2+]C/C=C/CNC(=O)[C@@H]2COCCO2)n1 ZINC001320980716 884458693 /nfs/dbraw/zinc/45/86/93/884458693.db2.gz VMGVXUIXAPYWLB-JDGPPOGSSA-N 1 2 295.343 -1.008 20 0 CAADLO Cn1nnnc1C[NH2+]CC=CCNC(=O)c1cn[nH]n1 ZINC001321135182 884472038 /nfs/dbraw/zinc/47/20/38/884472038.db2.gz JGNCUSXJMKJPRX-IHWYPQMZSA-N 1 2 277.292 -1.596 20 0 CAADLO O=C(NCC=CC[NH2+]Cc1cnon1)[C@H]1CNC(=O)N1 ZINC001321219686 884480406 /nfs/dbraw/zinc/48/04/06/884480406.db2.gz HIQXNBPXNPKUMY-JKERVTFKSA-N 1 2 280.288 -1.487 20 0 CAADLO O=C(NCC=CC[NH2+]Cc1cnon1)[C@@H]1CNC(=O)N1 ZINC001321219687 884480887 /nfs/dbraw/zinc/48/08/87/884480887.db2.gz HIQXNBPXNPKUMY-VWCDRPFISA-N 1 2 280.288 -1.487 20 0 CAADLO O=C(NCC=CC[NH2+]Cc1csnn1)[C@@H]1CNC(=O)N1 ZINC001321224395 884481533 /nfs/dbraw/zinc/48/15/33/884481533.db2.gz ZKPMIQAKSOKDNN-IYABHPQVSA-N 1 2 296.356 -1.019 20 0 CAADLO NS(=O)(=O)[C@@H]1CCC[N@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001321339148 884487365 /nfs/dbraw/zinc/48/73/65/884487365.db2.gz JXEJFILDLAMJGI-SFYZADRCSA-N 1 2 275.330 -1.456 20 0 CAADLO Cn1nnnc1C[NH2+]C/C=C/CNC(=O)Cc1ncc[nH]1 ZINC001321306037 884486988 /nfs/dbraw/zinc/48/69/88/884486988.db2.gz FWKNGSDTRCKOJB-NSCUHMNNSA-N 1 2 290.331 -1.062 20 0 CAADLO NS(=O)(=O)[C@@H]1CCC[N@@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001321339148 884487360 /nfs/dbraw/zinc/48/73/60/884487360.db2.gz JXEJFILDLAMJGI-SFYZADRCSA-N 1 2 275.330 -1.456 20 0 CAADLO NS(=O)(=O)[C@H]1CCC[N@@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001321339147 884487806 /nfs/dbraw/zinc/48/78/06/884487806.db2.gz JXEJFILDLAMJGI-JGVFFNPUSA-N 1 2 275.330 -1.456 20 0 CAADLO NS(=O)(=O)[C@H]1CCC[N@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001321339147 884487811 /nfs/dbraw/zinc/48/78/11/884487811.db2.gz JXEJFILDLAMJGI-JGVFFNPUSA-N 1 2 275.330 -1.456 20 0 CAADLO CN(CCCO)C(=O)C(=O)NCCn1cc[nH+]c1 ZINC001321359498 884489298 /nfs/dbraw/zinc/48/92/98/884489298.db2.gz RAOFMAUDYHIQBQ-UHFFFAOYSA-N 1 2 254.290 -1.160 20 0 CAADLO CN1C[C@H](NC(=O)C(=O)NCCn2cc[nH+]c2)CC1=O ZINC001321404755 884492434 /nfs/dbraw/zinc/49/24/34/884492434.db2.gz WGDPRXBEOFBHAF-SECBINFHSA-N 1 2 279.300 -1.654 20 0 CAADLO O=C(NCCn1cc[nH+]c1)C(=O)N1C[C@@H]2COC[C@H](C1)O2 ZINC001321411407 884493174 /nfs/dbraw/zinc/49/31/74/884493174.db2.gz FOMXUJWPQHJEHZ-PHIMTYICSA-N 1 2 294.311 -1.375 20 0 CAADLO Cc1nnc(C[NH2+]C[C@@H](C)NC(=O)CC(N)=O)o1 ZINC001321478286 884496417 /nfs/dbraw/zinc/49/64/17/884496417.db2.gz GETXQBFRUHRZDC-ZCFIWIBFSA-N 1 2 255.278 -1.152 20 0 CAADLO Nc1cc(N2CCN(C(=O)C(=O)NC3CC3)CC2)[nH+]cn1 ZINC001321567130 884502401 /nfs/dbraw/zinc/50/24/01/884502401.db2.gz ZNXUFKKNHWFSRI-UHFFFAOYSA-N 1 2 290.327 -1.014 20 0 CAADLO C[C@H](C[NH2+]Cc1cn(C)nn1)NC(=O)c1cn[nH]n1 ZINC001321567483 884503979 /nfs/dbraw/zinc/50/39/79/884503979.db2.gz HMGYBCOMXWYXPL-SSDOTTSWSA-N 1 2 264.293 -1.159 20 0 CAADLO C[C@H](C[NH2+]Cc1cn(C)nn1)NC(=O)c1cnn[nH]1 ZINC001321567483 884503990 /nfs/dbraw/zinc/50/39/90/884503990.db2.gz HMGYBCOMXWYXPL-SSDOTTSWSA-N 1 2 264.293 -1.159 20 0 CAADLO C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)NC[C@H]1COCCO1 ZINC001321630513 884505520 /nfs/dbraw/zinc/50/55/20/884505520.db2.gz HTAGHDQMLUGGQS-MNOVXSKESA-N 1 2 296.327 -1.081 20 0 CAADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)N[C@H]1CCN(C)C1=O ZINC001321632099 884506117 /nfs/dbraw/zinc/50/61/17/884506117.db2.gz YBVKYCFHCBBPSK-UWVGGRQHSA-N 1 2 293.327 -1.265 20 0 CAADLO C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)N[C@H]1CCN(C)C1=O ZINC001321632101 884507104 /nfs/dbraw/zinc/50/71/04/884507104.db2.gz YBVKYCFHCBBPSK-ZJUUUORDSA-N 1 2 293.327 -1.265 20 0 CAADLO C[C@H](C[NH2+][C@H](C)c1nnnn1C1CC1)NC(=O)C(N)=O ZINC001321641076 884507790 /nfs/dbraw/zinc/50/77/90/884507790.db2.gz MVSMBDUJGMGUGU-RNFRBKRXSA-N 1 2 281.320 -1.351 20 0 CAADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)N(C)[C@H]1CCNC1=O ZINC001321689670 884509141 /nfs/dbraw/zinc/50/91/41/884509141.db2.gz PGYDDKSCIJYIIQ-UWVGGRQHSA-N 1 2 293.327 -1.265 20 0 CAADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)NCCn1cncn1 ZINC001321689675 884509406 /nfs/dbraw/zinc/50/94/06/884509406.db2.gz PJCCPAHCWQPZEI-JTQLQIEISA-N 1 2 291.315 -1.204 20 0 CAADLO CNC(=O)CCN(C)C(=O)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC001321690210 884513449 /nfs/dbraw/zinc/51/34/49/884513449.db2.gz WHXHAYZTPYMKFG-JTQLQIEISA-N 1 2 295.343 -1.018 20 0 CAADLO NC(=O)CSCC(=O)N1CC[NH+](CCO)CC1 ZINC001322325337 884549662 /nfs/dbraw/zinc/54/96/62/884549662.db2.gz MFFMHHRSRYDEPC-UHFFFAOYSA-N 1 2 261.347 -1.659 20 0 CAADLO CCCCn1nnnc1C[NH2+]C[C@H](C)NC(=O)C(N)=O ZINC001321968192 884530862 /nfs/dbraw/zinc/53/08/62/884530862.db2.gz GNQXANYFWRMAME-QMMMGPOBSA-N 1 2 283.336 -1.447 20 0 CAADLO NS(=O)(=O)[C@@H]1CC[N@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001322600600 884566933 /nfs/dbraw/zinc/56/69/33/884566933.db2.gz MJJNHIKNNKQIQU-RNFRBKRXSA-N 1 2 261.303 -1.846 20 0 CAADLO NS(=O)(=O)[C@H]1CC[N@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001322600599 884567537 /nfs/dbraw/zinc/56/75/37/884567537.db2.gz MJJNHIKNNKQIQU-NKWVEPMBSA-N 1 2 261.303 -1.846 20 0 CAADLO CNC(=O)C[N@H+](C)C[C@@H](C)NC(=O)c1nnc[nH]1 ZINC001322269974 884546345 /nfs/dbraw/zinc/54/63/45/884546345.db2.gz UQMZQADIOUKYMN-SSDOTTSWSA-N 1 2 254.294 -1.399 20 0 CAADLO CNC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)c1nnc[nH]1 ZINC001322269974 884546359 /nfs/dbraw/zinc/54/63/59/884546359.db2.gz UQMZQADIOUKYMN-SSDOTTSWSA-N 1 2 254.294 -1.399 20 0 CAADLO CCC(=O)NCC(=O)N(C)CCC[NH2+]Cc1nnn(C)n1 ZINC001322442088 884552421 /nfs/dbraw/zinc/55/24/21/884552421.db2.gz IPJCMYANSKCFTP-UHFFFAOYSA-N 1 2 297.363 -1.326 20 0 CAADLO C[S@@](=O)CCNC(=O)C(=O)NCCCn1cc[nH+]c1 ZINC001322539421 884560923 /nfs/dbraw/zinc/56/09/23/884560923.db2.gz DWJAILDVANSFHN-LJQANCHMSA-N 1 2 286.357 -1.116 20 0 CAADLO CC[NH+]1CCN(C(=O)C(=O)N[C@H]2CC(=O)N(C)C2)CC1 ZINC001322588932 884562834 /nfs/dbraw/zinc/56/28/34/884562834.db2.gz AIQVEOVFQNGTCI-JTQLQIEISA-N 1 2 282.344 -1.503 20 0 CAADLO CC[NH+]1CCN(C(=O)C(=O)N[C@@H]2CC(=O)N(C)C2)CC1 ZINC001322588936 884564613 /nfs/dbraw/zinc/56/46/13/884564613.db2.gz AIQVEOVFQNGTCI-SNVBAGLBSA-N 1 2 282.344 -1.503 20 0 CAADLO NS(=O)(=O)[C@@H]1CC[N@@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001322600600 884566923 /nfs/dbraw/zinc/56/69/23/884566923.db2.gz MJJNHIKNNKQIQU-RNFRBKRXSA-N 1 2 261.303 -1.846 20 0 CAADLO NS(=O)(=O)[C@H]1CC[N@@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001322600599 884567528 /nfs/dbraw/zinc/56/75/28/884567528.db2.gz MJJNHIKNNKQIQU-NKWVEPMBSA-N 1 2 261.303 -1.846 20 0 CAADLO O=C(C[N@@H+]1C[C@@H](O)[C@@H](O)C1)NCc1cccnc1 ZINC001322786237 884577034 /nfs/dbraw/zinc/57/70/34/884577034.db2.gz LORPQTWQOGCCOE-PHIMTYICSA-N 1 2 251.286 -1.265 20 0 CAADLO O=C(C[N@H+]1C[C@@H](O)[C@@H](O)C1)NCc1cccnc1 ZINC001322786237 884577047 /nfs/dbraw/zinc/57/70/47/884577047.db2.gz LORPQTWQOGCCOE-PHIMTYICSA-N 1 2 251.286 -1.265 20 0 CAADLO Cn1c[nH+]cc1CC(=O)N1CCN2C(=O)NC(=O)[C@H]2C1 ZINC001322950978 884589326 /nfs/dbraw/zinc/58/93/26/884589326.db2.gz APLFPJWKWHNWQD-SECBINFHSA-N 1 2 277.284 -1.275 20 0 CAADLO Cn1c[nH+]cc1CC(=O)N1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC001322950979 884590784 /nfs/dbraw/zinc/59/07/84/884590784.db2.gz APLFPJWKWHNWQD-VIFPVBQESA-N 1 2 277.284 -1.275 20 0 CAADLO C[C@@H](C(=O)N(C)CCC(N)=O)[NH+]1CCN(C)CC1 ZINC001323206338 884598956 /nfs/dbraw/zinc/59/89/56/884598956.db2.gz OSQRVNBZBNXBRD-JTQLQIEISA-N 1 2 256.350 -1.044 20 0 CAADLO CN1CC[C@@H]([N@@H+]2CC[C@@H]2CNC(=O)CC(N)=O)C1=O ZINC001323208946 884600010 /nfs/dbraw/zinc/60/00/10/884600010.db2.gz DMLPFOJXOJBXRW-RKDXNWHRSA-N 1 2 268.317 -1.717 20 0 CAADLO CN1CC[C@@H]([N@H+]2CC[C@@H]2CNC(=O)CC(N)=O)C1=O ZINC001323208946 884600016 /nfs/dbraw/zinc/60/00/16/884600016.db2.gz DMLPFOJXOJBXRW-RKDXNWHRSA-N 1 2 268.317 -1.717 20 0 CAADLO CN1CC[C@@H]([N@@H+]2CC[C@H]2CNC(=O)CC(N)=O)C1=O ZINC001323208943 884600103 /nfs/dbraw/zinc/60/01/03/884600103.db2.gz DMLPFOJXOJBXRW-DTWKUNHWSA-N 1 2 268.317 -1.717 20 0 CAADLO CN1CC[C@@H]([N@H+]2CC[C@H]2CNC(=O)CC(N)=O)C1=O ZINC001323208943 884600111 /nfs/dbraw/zinc/60/01/11/884600111.db2.gz DMLPFOJXOJBXRW-DTWKUNHWSA-N 1 2 268.317 -1.717 20 0 CAADLO CN1CC[C@H]([N@@H+]2CC[C@@H]2CNC(=O)CC(N)=O)C1=O ZINC001323208921 884601078 /nfs/dbraw/zinc/60/10/78/884601078.db2.gz DMLPFOJXOJBXRW-BDAKNGLRSA-N 1 2 268.317 -1.717 20 0 CAADLO CN1CC[C@H]([N@H+]2CC[C@@H]2CNC(=O)CC(N)=O)C1=O ZINC001323208921 884601084 /nfs/dbraw/zinc/60/10/84/884601084.db2.gz DMLPFOJXOJBXRW-BDAKNGLRSA-N 1 2 268.317 -1.717 20 0 CAADLO CN1CC[C@@H]([N@@H+]2CC[C@H]2CNC(=O)C2(C(N)=O)CC2)C1=O ZINC001323293055 884609951 /nfs/dbraw/zinc/60/99/51/884609951.db2.gz JZEDGHDUQCSTOS-VHSXEESVSA-N 1 2 294.355 -1.327 20 0 CAADLO CN1CC[C@@H]([N@H+]2CC[C@H]2CNC(=O)C2(C(N)=O)CC2)C1=O ZINC001323293055 884609961 /nfs/dbraw/zinc/60/99/61/884609961.db2.gz JZEDGHDUQCSTOS-VHSXEESVSA-N 1 2 294.355 -1.327 20 0 CAADLO CC[C@H](C(N)=O)[N@@H+]1CC[C@H]1CNC(=O)C1(C(=O)NC)CC1 ZINC001323319950 884610560 /nfs/dbraw/zinc/61/05/60/884610560.db2.gz UJNMGPVWAVJLEO-VHSXEESVSA-N 1 2 296.371 -1.033 20 0 CAADLO CC[C@H](C(N)=O)[N@H+]1CC[C@H]1CNC(=O)C1(C(=O)NC)CC1 ZINC001323319950 884610564 /nfs/dbraw/zinc/61/05/64/884610564.db2.gz UJNMGPVWAVJLEO-VHSXEESVSA-N 1 2 296.371 -1.033 20 0 CAADLO O=C(NC[C@H]1CC[N@H+]1CCOCCO)c1nnc[nH]1 ZINC001323323162 884610695 /nfs/dbraw/zinc/61/06/95/884610695.db2.gz GWZHAVLOSUCBQQ-SECBINFHSA-N 1 2 269.305 -1.382 20 0 CAADLO O=C(NC[C@H]1CC[N@@H+]1CCOCCO)c1nnc[nH]1 ZINC001323323162 884610698 /nfs/dbraw/zinc/61/06/98/884610698.db2.gz GWZHAVLOSUCBQQ-SECBINFHSA-N 1 2 269.305 -1.382 20 0 CAADLO CC[C@@H](C(N)=O)[N@@H+]1CC[C@H]1CNC(=O)C1(C(=O)NC)CC1 ZINC001323319949 884611296 /nfs/dbraw/zinc/61/12/96/884611296.db2.gz UJNMGPVWAVJLEO-UWVGGRQHSA-N 1 2 296.371 -1.033 20 0 CAADLO CC[C@@H](C(N)=O)[N@H+]1CC[C@H]1CNC(=O)C1(C(=O)NC)CC1 ZINC001323319949 884611303 /nfs/dbraw/zinc/61/13/03/884611303.db2.gz UJNMGPVWAVJLEO-UWVGGRQHSA-N 1 2 296.371 -1.033 20 0 CAADLO Cn1c[nH+]cc1CN1CC[C@H]1CNC(=O)C(N)=O ZINC001323293136 884611695 /nfs/dbraw/zinc/61/16/95/884611695.db2.gz KKBLBSWYVGREJV-QMMMGPOBSA-N 1 2 251.290 -1.404 20 0 CAADLO NC(=O)CC(=O)NCC1([NH2+]Cc2cnon2)CC1 ZINC001323411439 884618647 /nfs/dbraw/zinc/61/86/47/884618647.db2.gz LEDIUEIXNNFQBV-UHFFFAOYSA-N 1 2 253.262 -1.317 20 0 CAADLO CN1C(=O)C(=O)N(C[NH+]2CCC(OCC(N)=O)CC2)C1=O ZINC001323608460 884625949 /nfs/dbraw/zinc/62/59/49/884625949.db2.gz OJBCISOVXOIXNF-UHFFFAOYSA-N 1 2 298.299 -1.669 20 0 CAADLO COCC[NH+]1CC(N(C)C(=O)[C@H](C)NC(N)=O)C1 ZINC001323910906 884641618 /nfs/dbraw/zinc/64/16/18/884641618.db2.gz ZXEFHFRAXBPPGI-QMMMGPOBSA-N 1 2 258.322 -1.168 20 0 CAADLO O=C(NCCN1C(=O)CNC1=O)N1CCn2c[nH+]cc2C1 ZINC001323975803 884643298 /nfs/dbraw/zinc/64/32/98/884643298.db2.gz VLABKDKITGAJBT-UHFFFAOYSA-N 1 2 292.299 -1.040 20 0 CAADLO C[C@H](O)C[NH+]1CC(N(C)C(=O)C(=O)NCC(F)F)C1 ZINC001323945295 884643258 /nfs/dbraw/zinc/64/32/58/884643258.db2.gz KQDCUVJAUOEFCS-ZETCQYMHSA-N 1 2 279.287 -1.109 20 0 CAADLO O=C1NCCN1CC[N@@H+]1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC001324133382 884649781 /nfs/dbraw/zinc/64/97/81/884649781.db2.gz MHLWQFJUSFSWEB-SECBINFHSA-N 1 2 281.316 -2.346 20 0 CAADLO O=C1NCCN1CC[N@H+]1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC001324133382 884649786 /nfs/dbraw/zinc/64/97/86/884649786.db2.gz MHLWQFJUSFSWEB-SECBINFHSA-N 1 2 281.316 -2.346 20 0 CAADLO CNC(=O)[C@@H]1C[N@H+](CCN2CCNC2=O)CCO1 ZINC001324134987 884651238 /nfs/dbraw/zinc/65/12/38/884651238.db2.gz ZVNZVDRNNMGWOG-VIFPVBQESA-N 1 2 256.306 -1.542 20 0 CAADLO CNC(=O)[C@@H]1C[N@@H+](CCN2CCNC2=O)CCO1 ZINC001324134987 884651252 /nfs/dbraw/zinc/65/12/52/884651252.db2.gz ZVNZVDRNNMGWOG-VIFPVBQESA-N 1 2 256.306 -1.542 20 0 CAADLO O=C1NCCN1CC[N@@H+]1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC001324133383 884652031 /nfs/dbraw/zinc/65/20/31/884652031.db2.gz MHLWQFJUSFSWEB-VIFPVBQESA-N 1 2 281.316 -2.346 20 0 CAADLO O=C1NCCN1CC[N@H+]1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC001324133383 884652035 /nfs/dbraw/zinc/65/20/35/884652035.db2.gz MHLWQFJUSFSWEB-VIFPVBQESA-N 1 2 281.316 -2.346 20 0 CAADLO CN(C)C(=O)CNC(=O)C(=O)NCCCn1cc[nH+]c1 ZINC001324307162 884661027 /nfs/dbraw/zinc/66/10/27/884661027.db2.gz WTJVDQIKQVNEAL-UHFFFAOYSA-N 1 2 281.316 -1.406 20 0 CAADLO C[C@H](C(N)=O)N1CC[N@@H+]([C@H](C)C(N)=O)CC(O)C1 ZINC001324467117 884675053 /nfs/dbraw/zinc/67/50/53/884675053.db2.gz OTGWAOXYIQCTCV-HTQZYQBOSA-N 1 2 258.322 -2.288 20 0 CAADLO C[C@H](C(N)=O)N1CC[N@H+]([C@H](C)C(N)=O)CC(O)C1 ZINC001324467117 884675060 /nfs/dbraw/zinc/67/50/60/884675060.db2.gz OTGWAOXYIQCTCV-HTQZYQBOSA-N 1 2 258.322 -2.288 20 0 CAADLO O=C1CC[C@H](C[N@@H+]2CCN3C(=O)C(=O)NC[C@@H]3C2)O1 ZINC001324630243 884681638 /nfs/dbraw/zinc/68/16/38/884681638.db2.gz KSAHJHQBKOJISC-RKDXNWHRSA-N 1 2 267.285 -1.665 20 0 CAADLO O=C1CC[C@H](C[N@H+]2CCN3C(=O)C(=O)NC[C@@H]3C2)O1 ZINC001324630243 884681645 /nfs/dbraw/zinc/68/16/45/884681645.db2.gz KSAHJHQBKOJISC-RKDXNWHRSA-N 1 2 267.285 -1.665 20 0 CAADLO COC[C@@H](C(N)=O)N(C)C(=O)Cc1c[nH+]cn1C ZINC001324601461 884681821 /nfs/dbraw/zinc/68/18/21/884681821.db2.gz OYHVNQHHOXVTLL-VIFPVBQESA-N 1 2 254.290 -1.079 20 0 CAADLO O=C1NC(=O)[C@]2(CCC[N@@H+]([C@H]3CCOC3=O)C2)N1 ZINC001324884160 884694974 /nfs/dbraw/zinc/69/49/74/884694974.db2.gz LACXTGMCIBZTMV-WRWORJQWSA-N 1 2 253.258 -1.024 20 0 CAADLO O=C1NC(=O)[C@]2(CCC[N@H+]([C@H]3CCOC3=O)C2)N1 ZINC001324884160 884694981 /nfs/dbraw/zinc/69/49/81/884694981.db2.gz LACXTGMCIBZTMV-WRWORJQWSA-N 1 2 253.258 -1.024 20 0 CAADLO COC1(C)CN(C(=O)C(=O)N2CC[NH+](C[C@H](C)O)CC2)C1 ZINC001324975520 884697845 /nfs/dbraw/zinc/69/78/45/884697845.db2.gz HNVJOCXKNHYCQM-NSHDSACASA-N 1 2 299.371 -1.241 20 0 CAADLO CN1C[C@@H](C[N@H+](C)CCNS(C)(=O)=O)OC1=O ZINC001324926957 884698348 /nfs/dbraw/zinc/69/83/48/884698348.db2.gz CYWBLFXJSAXBON-MRVPVSSYSA-N 1 2 265.335 -1.082 20 0 CAADLO CN1C[C@@H](C[N@@H+](C)CCNS(C)(=O)=O)OC1=O ZINC001324926957 884698362 /nfs/dbraw/zinc/69/83/62/884698362.db2.gz CYWBLFXJSAXBON-MRVPVSSYSA-N 1 2 265.335 -1.082 20 0 CAADLO Cc1nonc1C[N@@H+]1CC[C@@](O)(CNC(=O)CC(N)=O)C1 ZINC001325087170 884703924 /nfs/dbraw/zinc/70/39/24/884703924.db2.gz UCCGKQHCFHGQFS-GFCCVEGCSA-N 1 2 297.315 -1.694 20 0 CAADLO Cc1nonc1C[N@H+]1CC[C@@](O)(CNC(=O)CC(N)=O)C1 ZINC001325087170 884703929 /nfs/dbraw/zinc/70/39/29/884703929.db2.gz UCCGKQHCFHGQFS-GFCCVEGCSA-N 1 2 297.315 -1.694 20 0 CAADLO Cc1nnc([C@@H](C)[N@@H+]2CC[C@](O)(CNC(=O)C(N)=O)C2)o1 ZINC001325126497 884708181 /nfs/dbraw/zinc/70/81/81/884708181.db2.gz PBKYQEDQQCPEAX-KRTXAFLBSA-N 1 2 297.315 -1.523 20 0 CAADLO Cc1nnc([C@@H](C)[N@H+]2CC[C@](O)(CNC(=O)C(N)=O)C2)o1 ZINC001325126497 884708196 /nfs/dbraw/zinc/70/81/96/884708196.db2.gz PBKYQEDQQCPEAX-KRTXAFLBSA-N 1 2 297.315 -1.523 20 0 CAADLO NC(=O)C(=O)NC[C@]1(O)CC[N@H+](Cc2ncccn2)C1 ZINC001325126833 884709255 /nfs/dbraw/zinc/70/92/55/884709255.db2.gz RQOCHLJGERWWCP-GFCCVEGCSA-N 1 2 279.300 -1.985 20 0 CAADLO NC(=O)C(=O)NC[C@]1(O)CC[N@@H+](Cc2ncccn2)C1 ZINC001325126833 884709262 /nfs/dbraw/zinc/70/92/62/884709262.db2.gz RQOCHLJGERWWCP-GFCCVEGCSA-N 1 2 279.300 -1.985 20 0 CAADLO Cc1ncc(C(=O)NCC2(O)C[NH+](C[C@H](C)O)C2)[nH]1 ZINC001325188443 884717159 /nfs/dbraw/zinc/71/71/59/884717159.db2.gz BPOGRHSIWYGHHE-QMMMGPOBSA-N 1 2 268.317 -1.125 20 0 CAADLO C[C@H](O)C[NH+]1CC(O)(CNC(=O)c2cn(C)cn2)C1 ZINC001325201624 884718894 /nfs/dbraw/zinc/71/88/94/884718894.db2.gz QTAZIGIILKMOAW-VIFPVBQESA-N 1 2 268.317 -1.423 20 0 CAADLO CC(C)=CC[NH+]1CC(O)(CNC(=O)Cn2cnnn2)C1 ZINC001325174446 884719087 /nfs/dbraw/zinc/71/90/87/884719087.db2.gz SJDUJXICFZMYIG-UHFFFAOYSA-N 1 2 280.332 -1.198 20 0 CAADLO CNC(=O)CN1[C@H](C)C[N@@H+](CC(=O)NC)C[C@@H]1C ZINC001325178927 884719551 /nfs/dbraw/zinc/71/95/51/884719551.db2.gz SRSYYEINYLNCGF-AOOOYVTPSA-N 1 2 256.350 -1.127 20 0 CAADLO CNC(=O)CN1[C@H](C)C[N@H+](CC(=O)NC)C[C@@H]1C ZINC001325178927 884719570 /nfs/dbraw/zinc/71/95/70/884719570.db2.gz SRSYYEINYLNCGF-AOOOYVTPSA-N 1 2 256.350 -1.127 20 0 CAADLO C[C@H](O)CCC[NH+]1CC(O)(CNC(=O)[C@H]2CCNC2=O)C1 ZINC001325245384 884722742 /nfs/dbraw/zinc/72/27/42/884722742.db2.gz AVXGIPBOEFOLBF-QWRGUYRKSA-N 1 2 299.371 -1.554 20 0 CAADLO C[C@@H](O)C[NH+]1CC(O)(CNC(=O)c2cncn2C)C1 ZINC001325236293 884722914 /nfs/dbraw/zinc/72/29/14/884722914.db2.gz LISKHDCYWVVLAF-SECBINFHSA-N 1 2 268.317 -1.423 20 0 CAADLO CCOCC[NH+]1CC(O)(CNC(=O)[C@H]2CC(=O)N(C)C2)C1 ZINC001325216880 884723107 /nfs/dbraw/zinc/72/31/07/884723107.db2.gz JOAWAKUPGLJUDJ-NSHDSACASA-N 1 2 299.371 -1.336 20 0 CAADLO NC(=O)C(=O)NCC1(O)C[NH+](C[C@@H]2CCc3ncnn32)C1 ZINC001325258996 884725573 /nfs/dbraw/zinc/72/55/73/884725573.db2.gz KOTXVTPHIBGKIP-QMMMGPOBSA-N 1 2 294.315 -2.586 20 0 CAADLO CC(C)OCC[NH+]1CC(O)(CNC(=O)C(N)=O)C1 ZINC001325258619 884725992 /nfs/dbraw/zinc/72/59/92/884725992.db2.gz FZQQIMPZCZHNCE-UHFFFAOYSA-N 1 2 259.306 -1.940 20 0 CAADLO CCOCC[NH+]1CC(O)(CNC(=O)CCNC(N)=O)C1 ZINC001325307259 884728780 /nfs/dbraw/zinc/72/87/80/884728780.db2.gz AXDJXJBHMDTITN-UHFFFAOYSA-N 1 2 288.348 -1.756 20 0 CAADLO CN1C[C@@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C(=O)N1 ZINC001325346461 884729921 /nfs/dbraw/zinc/72/99/21/884729921.db2.gz QAFKDTUHULEKAN-RKDXNWHRSA-N 1 2 263.301 -1.093 20 0 CAADLO C[C@@H](O)C[NH+]1CC(O)(CNC(=O)CN2C(=O)CCC2=O)C1 ZINC001325309100 884730059 /nfs/dbraw/zinc/73/00/59/884730059.db2.gz UGSAGRKYLVVBFB-SECBINFHSA-N 1 2 299.327 -2.321 20 0 CAADLO O=C(NCCn1cc[nH+]c1)C(=O)N1CC[C@H](CO)C1 ZINC001325400294 884731381 /nfs/dbraw/zinc/73/13/81/884731381.db2.gz XBPYSNHLCBQGSY-JTQLQIEISA-N 1 2 266.301 -1.160 20 0 CAADLO CN(C(=O)C(=O)N1CC[NH+](C)CC1)C1CC(O)C1 ZINC001325395931 884732381 /nfs/dbraw/zinc/73/23/81/884732381.db2.gz WJMDVNWDMWUQDZ-UHFFFAOYSA-N 1 2 255.318 -1.258 20 0 CAADLO CN1C[C@@H](NC(=O)C(=O)NCCn2cc[nH+]c2)CCC1=O ZINC001325389382 884733077 /nfs/dbraw/zinc/73/30/77/884733077.db2.gz WNKSCGXFFHNZDG-JTQLQIEISA-N 1 2 293.327 -1.264 20 0 CAADLO CO[C@]1(CNC(=O)C(=O)NCCn2cc[nH+]c2)CCOC1 ZINC001325387429 884733471 /nfs/dbraw/zinc/73/34/71/884733471.db2.gz SNPZDSFUTYZHKH-ZDUSSCGKSA-N 1 2 296.327 -1.079 20 0 CAADLO C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)NCCC(=O)N(C)C ZINC001325676055 884735971 /nfs/dbraw/zinc/73/59/71/884735971.db2.gz BVVWTMSGLOJLNJ-SNVBAGLBSA-N 1 2 295.343 -1.018 20 0 CAADLO O=C([C@H]1CCC(=O)N1)N(CCO)CC[NH2+]Cc1cnon1 ZINC001325989089 884753785 /nfs/dbraw/zinc/75/37/85/884753785.db2.gz KNUFZIZIXXLLCA-SNVBAGLBSA-N 1 2 297.315 -1.741 20 0 CAADLO Cc1noc([C@@H](C)[NH2+]CCN(CCO)C(=O)CC(N)=O)n1 ZINC001325996999 884754920 /nfs/dbraw/zinc/75/49/20/884754920.db2.gz AIZBASGUISONGD-MRVPVSSYSA-N 1 2 299.331 -1.275 20 0 CAADLO O=C([C@H]1COC(=O)N1)N(CCO)CC[NH2+]Cc1cnon1 ZINC001326012113 884755900 /nfs/dbraw/zinc/75/59/00/884755900.db2.gz LAEXREPHZMPQED-SECBINFHSA-N 1 2 299.287 -1.912 20 0 CAADLO CC[NH+]1CCN(C(=O)C(=O)NCC2(CC(N)=O)CC2)CC1 ZINC001326018005 884758594 /nfs/dbraw/zinc/75/85/94/884758594.db2.gz IQKQVBMMPYMBLP-UHFFFAOYSA-N 1 2 296.371 -1.078 20 0 CAADLO C[C@H](C[NH3+])NC(=O)Cn1[nH]cc2c(=O)ncnc1-2 ZINC001326057695 884762224 /nfs/dbraw/zinc/76/22/24/884762224.db2.gz KGNZJLJYWPODNA-ZCFIWIBFSA-N 1 2 250.262 -1.465 20 0 CAADLO CC(C)(C(N)=O)C(=O)N(CCO)CC[NH2+]Cc1cnon1 ZINC001326042102 884763014 /nfs/dbraw/zinc/76/30/14/884763014.db2.gz PQDLNGXHQRDXPQ-UHFFFAOYSA-N 1 2 299.331 -1.508 20 0 CAADLO Nc1ccnc(CNC(=O)CN2CC[NH2+]CC2=O)n1 ZINC001326339624 884783273 /nfs/dbraw/zinc/78/32/73/884783273.db2.gz AJZWQPQTJFCISR-UHFFFAOYSA-N 1 2 264.289 -1.893 20 0 CAADLO CC[N@@H+]1CCOC[C@@H]1CNC(=O)Cn1cnnn1 ZINC001326610737 884815875 /nfs/dbraw/zinc/81/58/75/884815875.db2.gz GBINLZSZFYTHEU-VIFPVBQESA-N 1 2 254.294 -1.490 20 0 CAADLO CC[N@H+]1CCOC[C@@H]1CNC(=O)Cn1cnnn1 ZINC001326610737 884815883 /nfs/dbraw/zinc/81/58/83/884815883.db2.gz GBINLZSZFYTHEU-VIFPVBQESA-N 1 2 254.294 -1.490 20 0 CAADLO Cn1cc(N2C(=O)C[C@H]([NH2+]CC(N)=O)C2=O)cn1 ZINC001326654978 884817720 /nfs/dbraw/zinc/81/77/20/884817720.db2.gz QJFCXSIGAHOGDR-ZETCQYMHSA-N 1 2 251.246 -1.873 20 0 CAADLO CNC(=O)NC(=O)C[N@@H+]1CCC[C@@]2(C1)NC(=O)NC2=O ZINC001326720318 884825049 /nfs/dbraw/zinc/82/50/49/884825049.db2.gz JSUJRTHDGSJILX-NSHDSACASA-N 1 2 283.288 -1.884 20 0 CAADLO CNC(=O)NC(=O)C[N@H+]1CCC[C@@]2(C1)NC(=O)NC2=O ZINC001326720318 884825056 /nfs/dbraw/zinc/82/50/56/884825056.db2.gz JSUJRTHDGSJILX-NSHDSACASA-N 1 2 283.288 -1.884 20 0 CAADLO COC[C@H]1C[C@@H](O)CN1C(=O)C(=O)N1CC[NH+](C)CC1 ZINC001326844473 884838819 /nfs/dbraw/zinc/83/88/19/884838819.db2.gz FCNSAVJFCUAJJR-GHMZBOCLSA-N 1 2 285.344 -1.631 20 0 CAADLO CC(=O)NCCN(C)C(=O)C(=O)NCCCn1cc[nH+]c1 ZINC001326848152 884842651 /nfs/dbraw/zinc/84/26/51/884842651.db2.gz YRJIFIAKYGSHKL-UHFFFAOYSA-N 1 2 295.343 -1.016 20 0 CAADLO COC(=O)[C@@H]([NH3+])Cc1cn(C2(C(=O)OC)CC2)nn1 ZINC001326956342 884849286 /nfs/dbraw/zinc/84/92/86/884849286.db2.gz MBWKJBPTKHAXRF-QMMMGPOBSA-N 1 2 268.273 -1.017 20 0 CAADLO COC(=O)C1(O)CC[NH+]([C@H]2CCC(=O)NC2=O)CC1 ZINC001327011781 884854431 /nfs/dbraw/zinc/85/44/31/884854431.db2.gz BFCUEVRQGUFFAS-QMMMGPOBSA-N 1 2 270.285 -1.209 20 0 CAADLO O=C(Cn1[nH]cc2c(=O)ncnc1-2)NCC[NH2+]C1CC1 ZINC001327060669 884859064 /nfs/dbraw/zinc/85/90/64/884859064.db2.gz VQDWRFBQUTURGG-UHFFFAOYSA-N 1 2 276.300 -1.061 20 0 CAADLO C[C@@H](CC[NH3+])NC(=O)Cn1[nH]cc2c(=O)ncnc1-2 ZINC001327105136 884863415 /nfs/dbraw/zinc/86/34/15/884863415.db2.gz OYLMGHBWAGDZAO-ZETCQYMHSA-N 1 2 264.289 -1.075 20 0 CAADLO CC[NH+]1CCN(C(=O)C(=O)N2CC(NC(=O)OC)C2)CC1 ZINC001327243411 884871220 /nfs/dbraw/zinc/87/12/20/884871220.db2.gz LRPXASJTARQEHW-UHFFFAOYSA-N 1 2 298.343 -1.283 20 0 CAADLO CN(CCC[N@@H+](C)Cc1cnn(C)n1)C(=O)C(N)=O ZINC001327252450 884872851 /nfs/dbraw/zinc/87/28/51/884872851.db2.gz QMNUCLWFNCTJHA-UHFFFAOYSA-N 1 2 268.321 -1.419 20 0 CAADLO CN(CCC[N@H+](C)Cc1cnn(C)n1)C(=O)C(N)=O ZINC001327252450 884872836 /nfs/dbraw/zinc/87/28/36/884872836.db2.gz QMNUCLWFNCTJHA-UHFFFAOYSA-N 1 2 268.321 -1.419 20 0 CAADLO CC[NH+]1CCN(C(=O)C(=O)N2CCC(O)(CO)CC2)CC1 ZINC001327286640 884875544 /nfs/dbraw/zinc/87/55/44/884875544.db2.gz DAAZDQZJDVNQAP-UHFFFAOYSA-N 1 2 299.371 -1.504 20 0 CAADLO O=C(NCCc1[nH]cc[nH+]1)[C@H]1CCS(=O)(=O)N1 ZINC001327280025 884876536 /nfs/dbraw/zinc/87/65/36/884876536.db2.gz ZYQBMLMYAGTKLG-SSDOTTSWSA-N 1 2 258.303 -1.240 20 0 CAADLO CN(C)C(=O)C[NH+]1CCC(NS(N)(=O)=O)CC1 ZINC001327396910 884882309 /nfs/dbraw/zinc/88/23/09/884882309.db2.gz RODFXODCOKKZDJ-UHFFFAOYSA-N 1 2 264.351 -1.668 20 0 CAADLO COC[C@H](O)C[NH+]1CC2(C1)C[C@H](NC(C)=O)CO2 ZINC001327373972 884883901 /nfs/dbraw/zinc/88/39/01/884883901.db2.gz XIOOIUQUELFBFG-WDEREUQCSA-N 1 2 258.318 -1.027 20 0 CAADLO CC[NH+]1CCN(C(=O)C(=O)N2CCC(=O)N(C)CC2)CC1 ZINC001327415504 884887015 /nfs/dbraw/zinc/88/70/15/884887015.db2.gz MSBHVDJBGBJRIV-UHFFFAOYSA-N 1 2 296.371 -1.159 20 0 CAADLO C[C@H](C(=O)NCCNS(=O)(=O)N(C)C)n1cc[nH+]c1 ZINC001327448991 884891029 /nfs/dbraw/zinc/89/10/29/884891029.db2.gz LLVFJPFTBLMRSD-SECBINFHSA-N 1 2 289.361 -1.044 20 0 CAADLO O=C1C[C@@H]([N@@H+]2CC[C@@H]3OCC(=O)N[C@H]3C2)C(=O)N1 ZINC001327468007 884891271 /nfs/dbraw/zinc/89/12/71/884891271.db2.gz ISQWNUYTIKHBKL-RNJXMRFFSA-N 1 2 253.258 -2.009 20 0 CAADLO O=C1C[C@@H]([N@H+]2CC[C@@H]3OCC(=O)N[C@H]3C2)C(=O)N1 ZINC001327468007 884891287 /nfs/dbraw/zinc/89/12/87/884891287.db2.gz ISQWNUYTIKHBKL-RNJXMRFFSA-N 1 2 253.258 -2.009 20 0 CAADLO NC(=O)[C@@]1([NH2+]CC(=O)Nc2cnccn2)CCOC1 ZINC001327535835 884898578 /nfs/dbraw/zinc/89/85/78/884898578.db2.gz STVHWVBHFLMKST-LLVKDONJSA-N 1 2 265.273 -1.351 20 0 CAADLO CN(C)C(=O)CNC(=O)C(=O)NCCCCn1cc[nH+]c1 ZINC001327579968 884906920 /nfs/dbraw/zinc/90/69/20/884906920.db2.gz NJUCVBHXWPJHFR-UHFFFAOYSA-N 1 2 295.343 -1.016 20 0 CAADLO C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)NCC[S@](C)=O ZINC001327657971 884918262 /nfs/dbraw/zinc/91/82/62/884918262.db2.gz OZVDHJLDDDBXSN-HOGDKLEQSA-N 1 2 286.357 -1.118 20 0 CAADLO CN(C[C@H]1COCCO1)C(=O)C(=O)NCCn1cc[nH+]c1 ZINC001327900480 884939848 /nfs/dbraw/zinc/93/98/48/884939848.db2.gz KZVNDHLAQDIWMB-NSHDSACASA-N 1 2 296.327 -1.127 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCCN2C=O)C1 ZINC001327934030 884945081 /nfs/dbraw/zinc/94/50/81/884945081.db2.gz HYVYHRBUPSCIQQ-GHMZBOCLSA-N 1 2 282.344 -1.327 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCCN2C=O)C1 ZINC001327934030 884945101 /nfs/dbraw/zinc/94/51/01/884945101.db2.gz HYVYHRBUPSCIQQ-GHMZBOCLSA-N 1 2 282.344 -1.327 20 0 CAADLO O=C(CN1CC[NH2+]CC1=O)NCCN1C(=O)CNC1=O ZINC001328181682 884959828 /nfs/dbraw/zinc/95/98/28/884959828.db2.gz QDWRVIFWQXNHFE-UHFFFAOYSA-N 1 2 283.288 -2.914 20 0 CAADLO O=C(CCn1cc[nH+]c1)NCCN1C(=O)CNC1=O ZINC001328176311 884960905 /nfs/dbraw/zinc/96/09/05/884960905.db2.gz DHOMBEJQEJSYCQ-UHFFFAOYSA-N 1 2 265.273 -1.059 20 0 CAADLO CN1CCN(C(=O)C(=O)N2CC[NH+](C)CC2)CCC1=O ZINC001328297220 884962458 /nfs/dbraw/zinc/96/24/58/884962458.db2.gz BCZUKERIWDWEGK-UHFFFAOYSA-N 1 2 282.344 -1.549 20 0 CAADLO O=C(CN1C(=O)CNC1=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC001328430372 884987457 /nfs/dbraw/zinc/98/74/57/884987457.db2.gz CSIFYHWFSGLBEI-JTQLQIEISA-N 1 2 296.327 -1.529 20 0 CAADLO CNS(=O)(=O)CC[N@@H+]1CCCN(C(N)=O)CC1 ZINC001328481279 884990731 /nfs/dbraw/zinc/99/07/31/884990731.db2.gz CIRBYXFULWUVCM-UHFFFAOYSA-N 1 2 264.351 -1.378 20 0 CAADLO CNS(=O)(=O)CC[N@H+]1CCCN(C(N)=O)CC1 ZINC001328481279 884990748 /nfs/dbraw/zinc/99/07/48/884990748.db2.gz CIRBYXFULWUVCM-UHFFFAOYSA-N 1 2 264.351 -1.378 20 0 CAADLO O=C(NCCC[N@@H+]1CCNC(=O)C1)c1cn[nH]c(=O)c1 ZINC001328468695 884991198 /nfs/dbraw/zinc/99/11/98/884991198.db2.gz DFRGBOUUQVYJCF-UHFFFAOYSA-N 1 2 279.300 -1.266 20 0 CAADLO O=C(NCCC[N@H+]1CCNC(=O)C1)c1cn[nH]c(=O)c1 ZINC001328468695 884991214 /nfs/dbraw/zinc/99/12/14/884991214.db2.gz DFRGBOUUQVYJCF-UHFFFAOYSA-N 1 2 279.300 -1.266 20 0 CAADLO O=C(Cc1[nH]cc[nH+]1)N1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC001328515696 884993961 /nfs/dbraw/zinc/99/39/61/884993961.db2.gz YSBKQUQCNYTGQO-ZETCQYMHSA-N 1 2 263.257 -1.285 20 0 CAADLO NC(=O)C[NH+]1CCC(CO)(NC(=O)[C@@H]2CCNC2=O)CC1 ZINC001328540602 884994915 /nfs/dbraw/zinc/99/49/15/884994915.db2.gz BJDHKGDPXXQFQR-SECBINFHSA-N 1 2 298.343 -2.449 20 0 CAADLO NC(=O)C[NH+]1CCC(CO)(NC(=O)[C@H]2CCNC2=O)CC1 ZINC001328540604 884996461 /nfs/dbraw/zinc/99/64/61/884996461.db2.gz BJDHKGDPXXQFQR-VIFPVBQESA-N 1 2 298.343 -2.449 20 0 CAADLO O=C(CCn1cc[nH]c(=O)c1=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC001328656227 885008701 /nfs/dbraw/zinc/00/87/01/885008701.db2.gz JCGZUYSRJNYVBL-SECBINFHSA-N 1 2 289.295 -1.136 20 0 CAADLO O=C(CCn1cc[nH]c(=O)c1=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC001328656228 885009994 /nfs/dbraw/zinc/00/99/94/885009994.db2.gz JCGZUYSRJNYVBL-VIFPVBQESA-N 1 2 289.295 -1.136 20 0 CAADLO CCNC(=O)C[NH+]1CCC(NS(N)(=O)=O)CC1 ZINC001328891650 885033317 /nfs/dbraw/zinc/03/33/17/885033317.db2.gz HCBQGWLGEGHUHM-UHFFFAOYSA-N 1 2 264.351 -1.620 20 0 CAADLO COC(=O)[C@@H]1C[C@H](N2C(=O)CNC2=O)C[N@@H+]1CC[C@@H](C)O ZINC001328904667 885033975 /nfs/dbraw/zinc/03/39/75/885033975.db2.gz JSZYTKFQGYAVIT-UTLUCORTSA-N 1 2 299.327 -1.075 20 0 CAADLO COC(=O)[C@@H]1C[C@H](N2C(=O)CNC2=O)C[N@H+]1CC[C@@H](C)O ZINC001328904667 885033987 /nfs/dbraw/zinc/03/39/87/885033987.db2.gz JSZYTKFQGYAVIT-UTLUCORTSA-N 1 2 299.327 -1.075 20 0 CAADLO COC(=O)[C@@H]1C[C@H](N2C(=O)CNC2=O)C[N@@H+]1CCCCO ZINC001328905984 885034603 /nfs/dbraw/zinc/03/46/03/885034603.db2.gz PGILDVPEHDQZTJ-UWVGGRQHSA-N 1 2 299.327 -1.073 20 0 CAADLO COC(=O)[C@@H]1C[C@H](N2C(=O)CNC2=O)C[N@H+]1CCCCO ZINC001328905984 885034612 /nfs/dbraw/zinc/03/46/12/885034612.db2.gz PGILDVPEHDQZTJ-UWVGGRQHSA-N 1 2 299.327 -1.073 20 0 CAADLO O=C1CNC(=O)N1CC[NH+]1CCN(c2nccnn2)CC1 ZINC001328908166 885035349 /nfs/dbraw/zinc/03/53/49/885035349.db2.gz NQNQJYUGFBPUHZ-UHFFFAOYSA-N 1 2 291.315 -1.455 20 0 CAADLO Cn1c[nH+]cc1CCNC(=O)CN1CC(=O)N(C)C1=O ZINC001328937187 885036974 /nfs/dbraw/zinc/03/69/74/885036974.db2.gz NNQDLUUCWLBZCT-UHFFFAOYSA-N 1 2 279.300 -1.027 20 0 CAADLO CN(C(=O)C(=O)N1CC[NH+](C)CC1)[C@H]1C[C@@H](C(N)=O)C1 ZINC001328954425 885038699 /nfs/dbraw/zinc/03/86/99/885038699.db2.gz VLVJOAXQVMGXCG-AOOOYVTPSA-N 1 2 282.344 -1.517 20 0 CAADLO NC(=O)C[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)CCO1 ZINC001328976711 885041273 /nfs/dbraw/zinc/04/12/73/885041273.db2.gz FUGBZWTWGPGFSH-SECBINFHSA-N 1 2 269.301 -1.288 20 0 CAADLO NC(=O)C[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)CCO1 ZINC001328976711 885041286 /nfs/dbraw/zinc/04/12/86/885041286.db2.gz FUGBZWTWGPGFSH-SECBINFHSA-N 1 2 269.301 -1.288 20 0 CAADLO CC(C)(C[NH+]1CCOCC1)NC(=O)CN1C(=O)CNC1=O ZINC001329009248 885046495 /nfs/dbraw/zinc/04/64/95/885046495.db2.gz QHDNPJJYFKOCKW-UHFFFAOYSA-N 1 2 298.343 -1.235 20 0 CAADLO CS(=O)(=O)CCC(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC001329166479 885073435 /nfs/dbraw/zinc/07/34/35/885073435.db2.gz MLPPWAHRIAWSLQ-VIFPVBQESA-N 1 2 264.347 -1.396 20 0 CAADLO CS(=O)(=O)CCC(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC001329166479 885073450 /nfs/dbraw/zinc/07/34/50/885073450.db2.gz MLPPWAHRIAWSLQ-VIFPVBQESA-N 1 2 264.347 -1.396 20 0 CAADLO CC(=O)NCCN(C)C(=O)C(=O)NCCn1cc[nH+]c1 ZINC001329314427 885089136 /nfs/dbraw/zinc/08/91/36/885089136.db2.gz KPUHWWRGIRNELF-UHFFFAOYSA-N 1 2 281.316 -1.406 20 0 CAADLO O=C(/C=C\C[NH+]1CCOCC1)NCCN1C(=O)CNC1=O ZINC001329360351 885092069 /nfs/dbraw/zinc/09/20/69/885092069.db2.gz OWLRMWPHPAHCRQ-UPHRSURJSA-N 1 2 296.327 -1.457 20 0 CAADLO Nc1nc(N)nc(C[N@@H+]2C[C@@H]3COC(=O)[C@@H]3C2)n1 ZINC001329374158 885094941 /nfs/dbraw/zinc/09/49/41/885094941.db2.gz ZWVNDCWOQGLVDG-PHDIDXHHSA-N 1 2 250.262 -1.359 20 0 CAADLO Nc1nc(N)nc(C[N@H+]2C[C@@H]3COC(=O)[C@@H]3C2)n1 ZINC001329374158 885094958 /nfs/dbraw/zinc/09/49/58/885094958.db2.gz ZWVNDCWOQGLVDG-PHDIDXHHSA-N 1 2 250.262 -1.359 20 0 CAADLO O=C(Cn1[nH]cc2c(=O)ncnc1-2)N1CC[NH2+]CC1 ZINC001329465681 885107547 /nfs/dbraw/zinc/10/75/47/885107547.db2.gz QBTGDUAURLZZKU-UHFFFAOYSA-N 1 2 262.273 -1.497 20 0 CAADLO O=C(CO[C@H]1CCC[NH2+]C1)NCc1n[nH]c(=O)[nH]1 ZINC001329514055 885111136 /nfs/dbraw/zinc/11/11/36/885111136.db2.gz PQCVFJNHRDKXTP-ZETCQYMHSA-N 1 2 255.278 -1.105 20 0 CAADLO CCN(CC)C(=O)C[N@H+](C)[C@@H](C)CNC(=O)C(N)=O ZINC001329530207 885113548 /nfs/dbraw/zinc/11/35/48/885113548.db2.gz DZGUAHJEWAKWRB-VIFPVBQESA-N 1 2 272.349 -1.223 20 0 CAADLO CCN(CC)C(=O)C[N@@H+](C)[C@@H](C)CNC(=O)C(N)=O ZINC001329530207 885113557 /nfs/dbraw/zinc/11/35/57/885113557.db2.gz DZGUAHJEWAKWRB-VIFPVBQESA-N 1 2 272.349 -1.223 20 0 CAADLO C[C@H](CNC(=O)C(N)=O)[N@H+](C)CC(=O)N1CCOCC1 ZINC001329529499 885113919 /nfs/dbraw/zinc/11/39/19/885113919.db2.gz BWGGJPFCRFTCIM-SECBINFHSA-N 1 2 286.332 -2.233 20 0 CAADLO C[C@H](CNC(=O)C(N)=O)[N@@H+](C)CC(=O)N1CCOCC1 ZINC001329529499 885113927 /nfs/dbraw/zinc/11/39/27/885113927.db2.gz BWGGJPFCRFTCIM-SECBINFHSA-N 1 2 286.332 -2.233 20 0 CAADLO CCN(CC)C(=O)C[N@H+](C)[C@H](C)CNC(=O)C(N)=O ZINC001329530206 885114569 /nfs/dbraw/zinc/11/45/69/885114569.db2.gz DZGUAHJEWAKWRB-SECBINFHSA-N 1 2 272.349 -1.223 20 0 CAADLO CCN(CC)C(=O)C[N@@H+](C)[C@H](C)CNC(=O)C(N)=O ZINC001329530206 885114578 /nfs/dbraw/zinc/11/45/78/885114578.db2.gz DZGUAHJEWAKWRB-SECBINFHSA-N 1 2 272.349 -1.223 20 0 CAADLO Cn1nnc(CNC(=O)/C=C/C[NH+]2CCOCC2)n1 ZINC001329551266 885115023 /nfs/dbraw/zinc/11/50/23/885115023.db2.gz DYXNQFXUPBRKNK-NSCUHMNNSA-N 1 2 266.305 -1.285 20 0 CAADLO O=C(Cc1[nH]cc[nH+]1)NN1CCS(=O)(=O)CC1 ZINC001329545073 885115380 /nfs/dbraw/zinc/11/53/80/885115380.db2.gz RTJMMJWLADSOPJ-UHFFFAOYSA-N 1 2 258.303 -1.286 20 0 CAADLO O=C(/C=C\C[NH+]1CCOCC1)NC[C@H](O)Cn1ccnn1 ZINC001329578501 885117666 /nfs/dbraw/zinc/11/76/66/885117666.db2.gz SDLKTLQUHRGUFJ-BIOMNHJASA-N 1 2 295.343 -1.356 20 0 CAADLO O=C1CC[C@@H](C[N@@H+]2CCN3C(=O)C(=O)NC[C@H]3C2)N1 ZINC001329598091 885119918 /nfs/dbraw/zinc/11/99/18/885119918.db2.gz XCVLFBPCLUSZBR-IUCAKERBSA-N 1 2 266.301 -2.092 20 0 CAADLO O=C1CC[C@@H](C[N@H+]2CCN3C(=O)C(=O)NC[C@H]3C2)N1 ZINC001329598091 885119926 /nfs/dbraw/zinc/11/99/26/885119926.db2.gz XCVLFBPCLUSZBR-IUCAKERBSA-N 1 2 266.301 -2.092 20 0 CAADLO COC[C@H](O)C[NH+]1CC(CCO)(NC(=O)CC(N)=O)C1 ZINC001329641860 885126366 /nfs/dbraw/zinc/12/63/66/885126366.db2.gz MOMPQRCGDFYXKU-SECBINFHSA-N 1 2 289.332 -2.578 20 0 CAADLO COCC[NH+]1CC(CCO)(NC(=O)[C@@H]2CCCNC2=O)C1 ZINC001329669605 885130635 /nfs/dbraw/zinc/13/06/35/885130635.db2.gz YEMMSLZFRJIHGW-LLVKDONJSA-N 1 2 299.371 -1.288 20 0 CAADLO COC[C@H](C)[NH+]1CC(CCO)(NC(=O)[C@@H]2CCNC2=O)C1 ZINC001329682364 885132433 /nfs/dbraw/zinc/13/24/33/885132433.db2.gz SXWKRNKHISKCTQ-WDEREUQCSA-N 1 2 299.371 -1.290 20 0 CAADLO Cn1c[nH+]cc1CN1CC(CCO)(NC(=O)C(N)=O)C1 ZINC001329692243 885133748 /nfs/dbraw/zinc/13/37/48/885133748.db2.gz AFXSNXBUINZQIA-UHFFFAOYSA-N 1 2 281.316 -2.042 20 0 CAADLO O=C(NCCn1cc[nH+]c1)C(=O)NCCN1CCCC1=O ZINC001329785004 885139630 /nfs/dbraw/zinc/13/96/30/885139630.db2.gz HHFGBQJMMSPTPC-UHFFFAOYSA-N 1 2 293.327 -1.262 20 0 CAADLO Cn1cc(CC[N@@H+]2CCN3C(=O)C(=O)NC[C@H]3C2)nn1 ZINC001329793718 885139855 /nfs/dbraw/zinc/13/98/55/885139855.db2.gz WOKZPZYVIFAWAU-JTQLQIEISA-N 1 2 278.316 -2.000 20 0 CAADLO Cn1cc(CC[N@H+]2CCN3C(=O)C(=O)NC[C@H]3C2)nn1 ZINC001329793718 885139862 /nfs/dbraw/zinc/13/98/62/885139862.db2.gz WOKZPZYVIFAWAU-JTQLQIEISA-N 1 2 278.316 -2.000 20 0 CAADLO O=C1CC[C@H](C[N@@H+]2CCN3C(=O)NC(=O)[C@@H]3C2)O1 ZINC001329878174 885150085 /nfs/dbraw/zinc/15/00/85/885150085.db2.gz YXVMIUZRRMKHKR-SFYZADRCSA-N 1 2 253.258 -1.072 20 0 CAADLO O=C1CC[C@H](C[N@H+]2CCN3C(=O)NC(=O)[C@@H]3C2)O1 ZINC001329878174 885150095 /nfs/dbraw/zinc/15/00/95/885150095.db2.gz YXVMIUZRRMKHKR-SFYZADRCSA-N 1 2 253.258 -1.072 20 0 CAADLO NC(=O)[C@]1(O)CC[N@H+](CC(=O)Nc2cnccn2)C1 ZINC001329894176 885152847 /nfs/dbraw/zinc/15/28/47/885152847.db2.gz DSLCBSSUBYJLHE-NSHDSACASA-N 1 2 265.273 -1.663 20 0 CAADLO NC(=O)[C@]1(O)CC[N@@H+](CC(=O)Nc2cnccn2)C1 ZINC001329894176 885152857 /nfs/dbraw/zinc/15/28/57/885152857.db2.gz DSLCBSSUBYJLHE-NSHDSACASA-N 1 2 265.273 -1.663 20 0 CAADLO NS(=O)(=O)c1cc(C[N@@H+]2C[C@@H]3C(=O)NC(=O)[C@@H]3C2)co1 ZINC001329890812 885154082 /nfs/dbraw/zinc/15/40/82/885154082.db2.gz HBTMJMHSJMLALY-OCAPTIKFSA-N 1 2 299.308 -1.369 20 0 CAADLO NS(=O)(=O)c1cc(C[N@H+]2C[C@@H]3C(=O)NC(=O)[C@@H]3C2)co1 ZINC001329890812 885154091 /nfs/dbraw/zinc/15/40/91/885154091.db2.gz HBTMJMHSJMLALY-OCAPTIKFSA-N 1 2 299.308 -1.369 20 0 CAADLO C[N@@H+]1CCO[C@H](C(=O)N[C@]2(C(N)=O)CCOC2)C1 ZINC001329925759 885155678 /nfs/dbraw/zinc/15/56/78/885155678.db2.gz UUPJKSKXQROLKU-GZMMTYOYSA-N 1 2 257.290 -1.922 20 0 CAADLO C[N@H+]1CCO[C@H](C(=O)N[C@]2(C(N)=O)CCOC2)C1 ZINC001329925759 885155687 /nfs/dbraw/zinc/15/56/87/885155687.db2.gz UUPJKSKXQROLKU-GZMMTYOYSA-N 1 2 257.290 -1.922 20 0 CAADLO C[N@@H+]1CCO[C@@H](C(=O)N[C@@]2(C(N)=O)CCOC2)C1 ZINC001329925760 885157594 /nfs/dbraw/zinc/15/75/94/885157594.db2.gz UUPJKSKXQROLKU-KCJUWKMLSA-N 1 2 257.290 -1.922 20 0 CAADLO C[N@H+]1CCO[C@@H](C(=O)N[C@@]2(C(N)=O)CCOC2)C1 ZINC001329925760 885157598 /nfs/dbraw/zinc/15/75/98/885157598.db2.gz UUPJKSKXQROLKU-KCJUWKMLSA-N 1 2 257.290 -1.922 20 0 CAADLO C[C@@H](NC(=O)C(C)(C)C(N)=O)C1C[NH+](CC(N)=O)C1 ZINC001330021728 885165971 /nfs/dbraw/zinc/16/59/71/885165971.db2.gz NRPWBZQZZRFEPK-SSDOTTSWSA-N 1 2 270.333 -1.580 20 0 CAADLO COc1cncc(C[NH+]2CC([C@H](C)NC(=O)C(N)=O)C2)n1 ZINC001330045419 885168971 /nfs/dbraw/zinc/16/89/71/885168971.db2.gz CBWDZZRNLKBDBK-QMMMGPOBSA-N 1 2 293.327 -1.093 20 0 CAADLO COc1nccc(C[NH+]2CC([C@@H](C)NC(=O)C(N)=O)C2)n1 ZINC001330046260 885169127 /nfs/dbraw/zinc/16/91/27/885169127.db2.gz FVZGTNMKIXNZLV-MRVPVSSYSA-N 1 2 293.327 -1.093 20 0 CAADLO C[C@@H](NC(=O)C(=O)NCC1CC1)C1C[NH+](CC(N)=O)C1 ZINC001330059493 885172735 /nfs/dbraw/zinc/17/27/35/885172735.db2.gz FNHXIDOXYHSHRC-MRVPVSSYSA-N 1 2 282.344 -1.566 20 0 CAADLO C[C@H](NC(=O)C(=O)NCC1CC1)C1C[NH+](CC(N)=O)C1 ZINC001330059495 885173279 /nfs/dbraw/zinc/17/32/79/885173279.db2.gz FNHXIDOXYHSHRC-QMMMGPOBSA-N 1 2 282.344 -1.566 20 0 CAADLO O=C(Cn1cc[nH+]c1)N1CCN2C(=O)NC(=O)[C@H]2C1 ZINC001330122493 885176439 /nfs/dbraw/zinc/17/64/39/885176439.db2.gz GKVACUMNYNYZIV-MRVPVSSYSA-N 1 2 263.257 -1.354 20 0 CAADLO O=C(CNC(=O)[C@H]1CCc2[nH+]ccn2C1)NCCO ZINC001330166670 885178878 /nfs/dbraw/zinc/17/88/78/885178878.db2.gz FGVQEFIHLJILDE-VIFPVBQESA-N 1 2 266.301 -1.330 20 0 CAADLO O=C(CNC(=O)[C@@H]1CCc2[nH+]ccn2C1)NCCO ZINC001330166669 885179991 /nfs/dbraw/zinc/17/99/91/885179991.db2.gz FGVQEFIHLJILDE-SECBINFHSA-N 1 2 266.301 -1.330 20 0 CAADLO CN(Cc1cn(C)nn1)C(=O)C(=O)N1CC[NH+](C)CC1 ZINC001330473675 885196851 /nfs/dbraw/zinc/19/68/51/885196851.db2.gz OFCPYXRHBTWLHJ-UHFFFAOYSA-N 1 2 280.332 -1.453 20 0 CAADLO COC(=O)CC[C@H](C(=O)OC)[N@@H+]1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC001330566979 885205903 /nfs/dbraw/zinc/20/59/03/885205903.db2.gz MCRMNGWTXPQEGL-HRDYMLBCSA-N 1 2 298.295 -1.314 20 0 CAADLO COC(=O)CC[C@H](C(=O)OC)[N@H+]1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC001330566979 885205919 /nfs/dbraw/zinc/20/59/19/885205919.db2.gz MCRMNGWTXPQEGL-HRDYMLBCSA-N 1 2 298.295 -1.314 20 0 CAADLO CNC(=O)[C@H]1C[N@H+](CCc2nnnn2C)CCO1 ZINC001330671200 885217999 /nfs/dbraw/zinc/21/79/99/885217999.db2.gz DFHBEHSLZOFISL-MRVPVSSYSA-N 1 2 254.294 -1.801 20 0 CAADLO CNC(=O)[C@H]1C[N@@H+](CCc2nnnn2C)CCO1 ZINC001330671200 885218017 /nfs/dbraw/zinc/21/80/17/885218017.db2.gz DFHBEHSLZOFISL-MRVPVSSYSA-N 1 2 254.294 -1.801 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CC(=O)N2)C1 ZINC001330885328 885237789 /nfs/dbraw/zinc/23/77/89/885237789.db2.gz HJVYZCZIWLWZQN-HTQZYQBOSA-N 1 2 254.290 -2.059 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@@H](NC(=O)[C@H]2CC(=O)N2)C1 ZINC001330885328 885237793 /nfs/dbraw/zinc/23/77/93/885237793.db2.gz HJVYZCZIWLWZQN-HTQZYQBOSA-N 1 2 254.290 -2.059 20 0 CAADLO O=C(CN1CC[NH2+]CC1=O)NCCN1CCNC1=O ZINC001331017327 885243894 /nfs/dbraw/zinc/24/38/94/885243894.db2.gz WGSOHGXTKSSVES-UHFFFAOYSA-N 1 2 269.305 -2.440 20 0 CAADLO Cn1c[nH+]cc1CNC(=O)N1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC001331012465 885245854 /nfs/dbraw/zinc/24/58/54/885245854.db2.gz DOUXNLNPCRTPHT-DTORHVGOSA-N 1 2 277.284 -1.166 20 0 CAADLO C[N@H+](CCOCCNC(=O)C(N)=O)CCS(C)(=O)=O ZINC001331144056 885252349 /nfs/dbraw/zinc/25/23/49/885252349.db2.gz FTBLARABHHHQOU-UHFFFAOYSA-N 1 2 295.361 -2.419 20 0 CAADLO C[N@@H+](CCOCCNC(=O)C(N)=O)CCS(C)(=O)=O ZINC001331144056 885252364 /nfs/dbraw/zinc/25/23/64/885252364.db2.gz FTBLARABHHHQOU-UHFFFAOYSA-N 1 2 295.361 -2.419 20 0 CAADLO Cn1cc(NC(=O)C(=O)N2CC[NH+](C)CC2)nn1 ZINC001331266573 885267683 /nfs/dbraw/zinc/26/76/83/885267683.db2.gz BWWOZOVTDNSKIP-UHFFFAOYSA-N 1 2 252.278 -1.472 20 0 CAADLO COCC[NH+]1CCN(C(=O)C(=O)Nc2cn(C)nn2)CC1 ZINC001331243533 885268287 /nfs/dbraw/zinc/26/82/87/885268287.db2.gz BSKRGQCXUAMPQE-UHFFFAOYSA-N 1 2 296.331 -1.456 20 0 CAADLO CN(C(=O)C(N)=O)[C@@H](C[NH2+]Cc1nc(=O)n(C)[nH]1)C1CC1 ZINC001331319110 885270926 /nfs/dbraw/zinc/27/09/26/885270926.db2.gz NJCOMULJHOLIOX-QMMMGPOBSA-N 1 2 296.331 -2.080 20 0 CAADLO CN(C(=O)C(N)=O)[C@H](C[NH2+]Cc1nc(=O)n(C)[nH]1)C1CC1 ZINC001331319109 885271021 /nfs/dbraw/zinc/27/10/21/885271021.db2.gz NJCOMULJHOLIOX-MRVPVSSYSA-N 1 2 296.331 -2.080 20 0 CAADLO CN1CC(=O)N(CC(=O)N[C@H]2Cc3c[nH+]cn3C2)C1=O ZINC001331479314 885279791 /nfs/dbraw/zinc/27/97/91/885279791.db2.gz SORZOMILGUYBMG-QMMMGPOBSA-N 1 2 277.284 -1.182 20 0 CAADLO C[C@@H]1C[C@H]1NC(=O)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC001331527473 885284191 /nfs/dbraw/zinc/28/41/91/885284191.db2.gz HHPRZUUSBOALSX-GRYCIOLGSA-N 1 2 299.371 -1.338 20 0 CAADLO C[C@@H]1C[C@H]1NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC001331527476 885284476 /nfs/dbraw/zinc/28/44/76/885284476.db2.gz HHPRZUUSBOALSX-IJLUTSLNSA-N 1 2 299.371 -1.338 20 0 CAADLO CCS(=O)(=O)NCCC[N@@H+]1C[C@H](O)C[C@H]1C(N)=O ZINC001331499923 885285359 /nfs/dbraw/zinc/28/53/59/885285359.db2.gz XLXBWYBDFGVXPG-BDAKNGLRSA-N 1 2 279.362 -1.764 20 0 CAADLO CCS(=O)(=O)NCCC[N@H+]1C[C@H](O)C[C@H]1C(N)=O ZINC001331499923 885285377 /nfs/dbraw/zinc/28/53/77/885285377.db2.gz XLXBWYBDFGVXPG-BDAKNGLRSA-N 1 2 279.362 -1.764 20 0 CAADLO C[C@H](NC(=O)[C@H]1CCNC1=O)[C@H]1CN(C)CC[N@@H+]1C ZINC001331578901 885290269 /nfs/dbraw/zinc/29/02/69/885290269.db2.gz GAGMYWKNHOYGTI-GARJFASQSA-N 1 2 268.361 -1.127 20 0 CAADLO C[C@H](NC(=O)[C@H]1CCNC1=O)[C@H]1CN(C)CC[N@H+]1C ZINC001331578901 885290285 /nfs/dbraw/zinc/29/02/85/885290285.db2.gz GAGMYWKNHOYGTI-GARJFASQSA-N 1 2 268.361 -1.127 20 0 CAADLO C[C@H](NC(=O)[C@@H]1CCNC1=O)[C@@H]1CN(C)CC[N@@H+]1C ZINC001331578899 885291277 /nfs/dbraw/zinc/29/12/77/885291277.db2.gz GAGMYWKNHOYGTI-AXFHLTTASA-N 1 2 268.361 -1.127 20 0 CAADLO C[C@H](NC(=O)[C@@H]1CCNC1=O)[C@@H]1CN(C)CC[N@H+]1C ZINC001331578899 885291301 /nfs/dbraw/zinc/29/13/01/885291301.db2.gz GAGMYWKNHOYGTI-AXFHLTTASA-N 1 2 268.361 -1.127 20 0 CAADLO Cc1ccnc(C[NH2+][C@H](CO)CNC(=O)CC(N)=O)n1 ZINC001331685972 885310206 /nfs/dbraw/zinc/31/02/06/885310206.db2.gz UGAZKYPCEVJJER-VIFPVBQESA-N 1 2 281.316 -1.773 20 0 CAADLO Cc1nnc(C[NH2+][C@H](CO)CNC(=O)CC(N)=O)s1 ZINC001331684292 885310440 /nfs/dbraw/zinc/31/04/40/885310440.db2.gz OKZXJJCPQKREMN-ZETCQYMHSA-N 1 2 287.345 -1.711 20 0 CAADLO Cn1ncc(C[NH2+][C@H](CO)CNC(=O)C(=O)C(C)(C)C)n1 ZINC001331683986 885310554 /nfs/dbraw/zinc/31/05/54/885310554.db2.gz NCYLVDGXTRGBCZ-JTQLQIEISA-N 1 2 297.359 -1.003 20 0 CAADLO Cn1nnnc1C[NH2+][C@@H](CO)CNC(=O)C=C1CCC1 ZINC001331695450 885315862 /nfs/dbraw/zinc/31/58/62/885315862.db2.gz HUOUQCIEWMFCIJ-SNVBAGLBSA-N 1 2 280.332 -1.113 20 0 CAADLO O=C(CN1C(=O)CNC1=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC001331715796 885322159 /nfs/dbraw/zinc/32/21/59/885322159.db2.gz PJDUMMYTJFRWCP-QMMMGPOBSA-N 1 2 277.284 -1.134 20 0 CAADLO CONC(=O)C1CCN(C(=O)CN2CC[NH2+]CC2=O)CC1 ZINC001331729549 885327629 /nfs/dbraw/zinc/32/76/29/885327629.db2.gz XCGMZJQLWKOVIR-UHFFFAOYSA-N 1 2 298.343 -1.666 20 0 CAADLO CC(C)n1cc(C[NH2+][C@@H](CO)CNC(=O)C(N)=O)nn1 ZINC001331773486 885338576 /nfs/dbraw/zinc/33/85/76/885338576.db2.gz GJTABNGBGZWLEW-SECBINFHSA-N 1 2 284.320 -2.089 20 0 CAADLO C[C@@H](O)[C@@H]1C[N@H+](CCCS(N)(=O)=O)CCO1 ZINC001331769932 885338642 /nfs/dbraw/zinc/33/86/42/885338642.db2.gz HIAKEIYLBSYSAY-BDAKNGLRSA-N 1 2 252.336 -1.253 20 0 CAADLO C[C@@H](O)[C@@H]1C[N@@H+](CCCS(N)(=O)=O)CCO1 ZINC001331769932 885338657 /nfs/dbraw/zinc/33/86/57/885338657.db2.gz HIAKEIYLBSYSAY-BDAKNGLRSA-N 1 2 252.336 -1.253 20 0 CAADLO CO[C@@H]1COC[C@@H]1[NH2+]Cc1nnc2c(=O)[nH]ccn12 ZINC001331772129 885339004 /nfs/dbraw/zinc/33/90/04/885339004.db2.gz VUHGUPYSQJSCGM-JGVFFNPUSA-N 1 2 265.273 -1.079 20 0 CAADLO C[C@H](O)[C@H]1C[N@H+](CCCS(N)(=O)=O)CCO1 ZINC001331769935 885341829 /nfs/dbraw/zinc/34/18/29/885341829.db2.gz HIAKEIYLBSYSAY-DTWKUNHWSA-N 1 2 252.336 -1.253 20 0 CAADLO C[C@H](O)[C@H]1C[N@@H+](CCCS(N)(=O)=O)CCO1 ZINC001331769935 885341845 /nfs/dbraw/zinc/34/18/45/885341845.db2.gz HIAKEIYLBSYSAY-DTWKUNHWSA-N 1 2 252.336 -1.253 20 0 CAADLO COc1cc(C[NH2+][C@@H](CO)CNC(=O)C(N)=O)on1 ZINC001331774343 885344225 /nfs/dbraw/zinc/34/42/25/885344225.db2.gz LGPCMIVQCMAKCP-ZCFIWIBFSA-N 1 2 272.261 -2.265 20 0 CAADLO NC(=O)C(=O)NC[C@@H](CO)[NH2+]Cc1cnns1 ZINC001331775996 885344810 /nfs/dbraw/zinc/34/48/10/885344810.db2.gz WLVGRKPWQMLXCA-YFKPBYRVSA-N 1 2 259.291 -2.410 20 0 CAADLO O=C1NCC[C@@H]1NS(=O)(=O)CCn1cc[nH+]c1 ZINC001331910806 885365440 /nfs/dbraw/zinc/36/54/40/885365440.db2.gz HYTRQYIUPXBNRK-QMMMGPOBSA-N 1 2 258.303 -1.309 20 0 CAADLO C/C(=C/C(=O)NCC(=O)NCCO)C[NH+]1CCOCC1 ZINC001331929264 885368267 /nfs/dbraw/zinc/36/82/67/885368267.db2.gz OMWKBSLBTRURLB-FLIBITNWSA-N 1 2 285.344 -1.510 20 0 CAADLO O=C(CO)NCCC(=O)N1CCn2c[nH+]cc2C1 ZINC001332096900 885376811 /nfs/dbraw/zinc/37/68/11/885376811.db2.gz HEEBVFVBZUYBHU-UHFFFAOYSA-N 1 2 252.274 -1.276 20 0 CAADLO O=C(CNC(=O)[C@H]1CCC[NH2+]1)NCCCc1n[nH]c(=O)[nH]1 ZINC001332141186 885381883 /nfs/dbraw/zinc/38/18/83/885381883.db2.gz CLFZYWJAFRIGAW-MRVPVSSYSA-N 1 2 296.331 -1.573 20 0 CAADLO Cc1c(C(=O)N2CC[N@H+](C)C[C@H]2CO)nnn1C ZINC001332258016 885392626 /nfs/dbraw/zinc/39/26/26/885392626.db2.gz BYOPTCWAQNBFMX-VIFPVBQESA-N 1 2 253.306 -1.128 20 0 CAADLO Cc1c(C(=O)N2CC[N@@H+](C)C[C@H]2CO)nnn1C ZINC001332258016 885392647 /nfs/dbraw/zinc/39/26/47/885392647.db2.gz BYOPTCWAQNBFMX-VIFPVBQESA-N 1 2 253.306 -1.128 20 0 CAADLO COC[C@@](C)(O)C(=O)N[C@H](CO)c1c[nH+]cn1C ZINC001332244385 885394996 /nfs/dbraw/zinc/39/49/96/885394996.db2.gz HYDUERXAUZNSNN-LDYMZIIASA-N 1 2 257.290 -1.033 20 0 CAADLO Cn1cnc(CCCNC(=O)CN2CC[NH2+]CC2=O)n1 ZINC001332452733 885410128 /nfs/dbraw/zinc/41/01/28/885410128.db2.gz ZOUVNXRKZQYTAV-UHFFFAOYSA-N 1 2 280.332 -1.704 20 0 CAADLO C[C@H](C(=O)NC[C@@]1(O)CCS(=O)(=O)C1)[NH+](C)C ZINC001332470158 885410619 /nfs/dbraw/zinc/41/06/19/885410619.db2.gz OLNDKTHENGTPHP-SCZZXKLOSA-N 1 2 264.347 -1.398 20 0 CAADLO C[C@@H](C(=O)N1CCC(O)(c2nn[nH]n2)CC1)[NH+](C)C ZINC001332562902 885421267 /nfs/dbraw/zinc/42/12/67/885421267.db2.gz HJPAOHANJNKFTN-QMMMGPOBSA-N 1 2 268.321 -1.040 20 0 CAADLO CN(C)S(=O)(=O)NCCNC(=O)Cn1cc[nH+]c1 ZINC001332610572 885427162 /nfs/dbraw/zinc/42/71/62/885427162.db2.gz KZGDCQBEMFDBKL-UHFFFAOYSA-N 1 2 275.334 -1.605 20 0 CAADLO Cn1cc([C@@H]2CN(C(=O)CC(N)=O)CC[NH2+]2)cn1 ZINC001332707986 885437081 /nfs/dbraw/zinc/43/70/81/885437081.db2.gz SJMAXYITUJRDJG-VIFPVBQESA-N 1 2 251.290 -1.232 20 0 CAADLO C[C@@H](CS(C)(=O)=O)N1C(=O)N[C@H](C[NH+](C)C)C1=O ZINC001332832081 885443039 /nfs/dbraw/zinc/44/30/39/885443039.db2.gz BLKDAOSQECCPNF-JGVFFNPUSA-N 1 2 277.346 -1.099 20 0 CAADLO COCC[N@H+](CCNC(=O)[C@H]1CCNC1=O)CC(N)=O ZINC001332922736 885446479 /nfs/dbraw/zinc/44/64/79/885446479.db2.gz JVTHZLNUAYAWBM-VIFPVBQESA-N 1 2 286.332 -2.328 20 0 CAADLO COCC[N@@H+](CCNC(=O)[C@H]1CCNC1=O)CC(N)=O ZINC001332922736 885446490 /nfs/dbraw/zinc/44/64/90/885446490.db2.gz JVTHZLNUAYAWBM-VIFPVBQESA-N 1 2 286.332 -2.328 20 0 CAADLO COCC[N@H+](CCNC(=O)[C@@H]1CCNC1=O)CC(N)=O ZINC001332922709 885447627 /nfs/dbraw/zinc/44/76/27/885447627.db2.gz JVTHZLNUAYAWBM-SECBINFHSA-N 1 2 286.332 -2.328 20 0 CAADLO NS(=O)(=O)C1C[NH+](C[C@H]2CCNC(=O)CC2)C1 ZINC001333117365 885457782 /nfs/dbraw/zinc/45/77/82/885457782.db2.gz KPWHHENYYMHBEL-MRVPVSSYSA-N 1 2 261.347 -1.125 20 0 CAADLO COCC[N@H+](C)Cc1cn(Cc2nnn(C)n2)nn1 ZINC001333123268 885460675 /nfs/dbraw/zinc/46/06/75/885460675.db2.gz XLVBNQFUVFWSCY-UHFFFAOYSA-N 1 2 266.309 -1.072 20 0 CAADLO COCC[N@@H+](C)Cc1cn(Cc2nnn(C)n2)nn1 ZINC001333123268 885460685 /nfs/dbraw/zinc/46/06/85/885460685.db2.gz XLVBNQFUVFWSCY-UHFFFAOYSA-N 1 2 266.309 -1.072 20 0 CAADLO C[C@H]1COCC[N@@H+]1CCNC(=O)C[C@@H]1CC(=O)NC1=O ZINC001333238513 885464005 /nfs/dbraw/zinc/46/40/05/885464005.db2.gz NUQWSIQKCGLJPW-VHSXEESVSA-N 1 2 283.328 -1.124 20 0 CAADLO C[C@H]1COCC[N@H+]1CCNC(=O)C[C@@H]1CC(=O)NC1=O ZINC001333238513 885464010 /nfs/dbraw/zinc/46/40/10/885464010.db2.gz NUQWSIQKCGLJPW-VHSXEESVSA-N 1 2 283.328 -1.124 20 0 CAADLO O=C(CO)NCCC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC001333315064 885472230 /nfs/dbraw/zinc/47/22/30/885472230.db2.gz FNKOOQUGODPMNJ-QMMMGPOBSA-N 1 2 252.274 -1.577 20 0 CAADLO COCC[NH+]1CCN(C(=O)C(=O)NC[C@H](C)OC)CC1 ZINC001333353774 885475342 /nfs/dbraw/zinc/47/53/42/885475342.db2.gz YXDOBKRKIPVZKC-NSHDSACASA-N 1 2 287.360 -1.072 20 0 CAADLO CCNC(=O)CN1CC[NH+](CCn2cnnn2)CC1 ZINC001333395062 885476905 /nfs/dbraw/zinc/47/69/05/885476905.db2.gz VONNAFHSUVUSKD-UHFFFAOYSA-N 1 2 267.337 -1.573 20 0 CAADLO O=C([C@H]1CCc2c[nH+]cn2C1)N1CC2(C1)NC(=O)NC2=O ZINC001333559969 885491056 /nfs/dbraw/zinc/49/10/56/885491056.db2.gz KVHZOTNFMYHYEY-QMMMGPOBSA-N 1 2 289.295 -1.134 20 0 CAADLO COC[C@H]1NC(=O)N(C[C@H]2CN(C)CC[N@@H+]2C)C1=O ZINC001333574320 885493022 /nfs/dbraw/zinc/49/30/22/885493022.db2.gz NNUZMVQEUBGAAO-NXEZZACHSA-N 1 2 270.333 -1.201 20 0 CAADLO COC[C@H]1NC(=O)N(C[C@H]2CN(C)CC[N@H+]2C)C1=O ZINC001333574320 885493028 /nfs/dbraw/zinc/49/30/28/885493028.db2.gz NNUZMVQEUBGAAO-NXEZZACHSA-N 1 2 270.333 -1.201 20 0 CAADLO O=C(NCCn1cc[nH+]c1)C(=O)N1CC=C[C@@H]1CO ZINC001333750950 885503508 /nfs/dbraw/zinc/50/35/08/885503508.db2.gz HFRWDLWGHRFUGC-SNVBAGLBSA-N 1 2 264.285 -1.241 20 0 CAADLO NC(=O)C(=O)NC1CC(CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001333767795 885507530 /nfs/dbraw/zinc/50/75/30/885507530.db2.gz FVNPLVGWVPXRRW-UHFFFAOYSA-N 1 2 279.300 -1.552 20 0 CAADLO CCn1cc(C[NH2+]CCNS(=O)(=O)N(C)C)nn1 ZINC001333813670 885508456 /nfs/dbraw/zinc/50/84/56/885508456.db2.gz LCWVUNWNWVCXKM-UHFFFAOYSA-N 1 2 276.366 -1.216 20 0 CAADLO O=C1NC(=O)N2CC[N@H+](C[C@H]3COCCO3)C[C@@H]12 ZINC001333874956 885509829 /nfs/dbraw/zinc/50/98/29/885509829.db2.gz VMBXLDUPLXMGKO-IUCAKERBSA-N 1 2 255.274 -1.362 20 0 CAADLO O=C1NC(=O)N2CC[N@@H+](C[C@H]3COCCO3)C[C@@H]12 ZINC001333874956 885509837 /nfs/dbraw/zinc/50/98/37/885509837.db2.gz VMBXLDUPLXMGKO-IUCAKERBSA-N 1 2 255.274 -1.362 20 0 CAADLO O=C(C[C@H]1CC(=O)NC1=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC001333972288 885518242 /nfs/dbraw/zinc/51/82/42/885518242.db2.gz LKVLHPBZPQBMMX-YUMQZZPRSA-N 1 2 262.269 -1.023 20 0 CAADLO Cn1c[nH+]cc1CCNC(=O)CN1CCNC(=O)C1 ZINC001334138060 885528272 /nfs/dbraw/zinc/52/82/72/885528272.db2.gz ZJOKWUJWSKVJPU-UHFFFAOYSA-N 1 2 265.317 -1.489 20 0 CAADLO COCC(COC)N1CC[NH+](C[C@H](O)CO)CC1 ZINC001334280109 885535402 /nfs/dbraw/zinc/53/54/02/885535402.db2.gz NGDLNCSMNRYAJD-LBPRGKRZSA-N 1 2 262.350 -1.381 20 0 CAADLO C[C@H]1C[N@H+](CCNC(=O)CN2C(=O)CNC2=O)[C@@H](C)CO1 ZINC001334500011 885551247 /nfs/dbraw/zinc/55/12/47/885551247.db2.gz PEBPKCFZGRHQTE-UWVGGRQHSA-N 1 2 298.343 -1.236 20 0 CAADLO C[C@H]1C[N@@H+](CCNC(=O)CN2C(=O)CNC2=O)[C@@H](C)CO1 ZINC001334500011 885551257 /nfs/dbraw/zinc/55/12/57/885551257.db2.gz PEBPKCFZGRHQTE-UWVGGRQHSA-N 1 2 298.343 -1.236 20 0 CAADLO Cc1[nH+]c[nH]c1CC(=O)N(C)[C@H](C)CNC(=O)C(N)=O ZINC001334500215 885551488 /nfs/dbraw/zinc/55/14/88/885551488.db2.gz JCVJLBLZLUTKTJ-SSDOTTSWSA-N 1 2 281.316 -1.291 20 0 CAADLO CC[NH+](CC)CC(=O)NC[C@H](O)CS(C)(=O)=O ZINC001334742589 885560222 /nfs/dbraw/zinc/56/02/22/885560222.db2.gz MAASIUYDRVFWHZ-VIFPVBQESA-N 1 2 266.363 -1.150 20 0 CAADLO CC(C)(C[NH+]1CCOCC1)NC(=O)C[C@@H]1NC(=O)NC1=O ZINC001334741017 885561449 /nfs/dbraw/zinc/56/14/49/885561449.db2.gz XVUCYNHJOOVCDH-VIFPVBQESA-N 1 2 298.343 -1.189 20 0 CAADLO C[C@H](C(=O)NCCOCCS(N)(=O)=O)n1cc[nH+]c1 ZINC001334722862 885561976 /nfs/dbraw/zinc/56/19/76/885561976.db2.gz KGHLUKQMVWBFJP-SECBINFHSA-N 1 2 290.345 -1.135 20 0 CAADLO CN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC001334823187 885566974 /nfs/dbraw/zinc/56/69/74/885566974.db2.gz XVRPXKUGNNDNHV-SECBINFHSA-N 1 2 291.373 -1.690 20 0 CAADLO CN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC001334823188 885567932 /nfs/dbraw/zinc/56/79/32/885567932.db2.gz XVRPXKUGNNDNHV-VIFPVBQESA-N 1 2 291.373 -1.690 20 0 CAADLO Nc1ncc2c(n1)C[N@@H+](CCN1C(=O)CNC1=O)CC2 ZINC001334857202 885569432 /nfs/dbraw/zinc/56/94/32/885569432.db2.gz DSIOUKSJWFVRKH-UHFFFAOYSA-N 1 2 276.300 -1.031 20 0 CAADLO Nc1ncc2c(n1)C[N@H+](CCN1C(=O)CNC1=O)CC2 ZINC001334857202 885569437 /nfs/dbraw/zinc/56/94/37/885569437.db2.gz DSIOUKSJWFVRKH-UHFFFAOYSA-N 1 2 276.300 -1.031 20 0 CAADLO OC[C@H](O)CN1CC[NH+](CCc2cnccn2)CC1 ZINC001335044748 885576589 /nfs/dbraw/zinc/57/65/89/885576589.db2.gz FOBUMJSVRYIOFZ-CYBMUJFWSA-N 1 2 266.345 -1.010 20 0 CAADLO O=C(CO)NCCC(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC001335075597 885579158 /nfs/dbraw/zinc/57/91/58/885579158.db2.gz DLEZZUFLDZJTLK-MRVPVSSYSA-N 1 2 252.274 -1.057 20 0 CAADLO C[N@@H+]1CC[C@H]1CNC(=O)C(=O)N1C[C@@H]2C[C@H]1C[S@]2=O ZINC001335074797 885580129 /nfs/dbraw/zinc/58/01/29/885580129.db2.gz IKTSNDILFAMAMY-GCUBYJBVSA-N 1 2 285.369 -1.462 20 0 CAADLO C[N@H+]1CC[C@H]1CNC(=O)C(=O)N1C[C@@H]2C[C@H]1C[S@]2=O ZINC001335074797 885580139 /nfs/dbraw/zinc/58/01/39/885580139.db2.gz IKTSNDILFAMAMY-GCUBYJBVSA-N 1 2 285.369 -1.462 20 0 CAADLO C[C@H](NC(=O)C(N)=O)C1CN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001335119389 885583945 /nfs/dbraw/zinc/58/39/45/885583945.db2.gz WBQGHWWYTUKOEH-ZETCQYMHSA-N 1 2 279.300 -1.599 20 0 CAADLO C[C@H](CN1C(=O)N[C@@H](C[NH+](C)C)C1=O)S(C)(=O)=O ZINC001335254907 885602772 /nfs/dbraw/zinc/60/27/72/885602772.db2.gz YPLMRLRCOHJBKY-SFYZADRCSA-N 1 2 277.346 -1.099 20 0 CAADLO C[C@@H](CN1C(=O)N[C@H](C[NH+](C)C)C1=O)S(C)(=O)=O ZINC001335254905 885602795 /nfs/dbraw/zinc/60/27/95/885602795.db2.gz YPLMRLRCOHJBKY-JGVFFNPUSA-N 1 2 277.346 -1.099 20 0 CAADLO CCC[N@H+](C)CC(=O)NC[C@@H](O)CS(C)(=O)=O ZINC001335311196 885609447 /nfs/dbraw/zinc/60/94/47/885609447.db2.gz SHXURIHVUFKCFV-SECBINFHSA-N 1 2 266.363 -1.150 20 0 CAADLO CCC[N@@H+](C)CC(=O)NC[C@@H](O)CS(C)(=O)=O ZINC001335311196 885609457 /nfs/dbraw/zinc/60/94/57/885609457.db2.gz SHXURIHVUFKCFV-SECBINFHSA-N 1 2 266.363 -1.150 20 0 CAADLO COC[C@@H](NC(=O)/C=C\C[NH+]1CCOCC1)C(N)=O ZINC001335529185 885620904 /nfs/dbraw/zinc/62/09/04/885620904.db2.gz NGQUKNHSKKYKMG-MXQLGCADSA-N 1 2 271.317 -1.509 20 0 CAADLO COC[C@H](NC(=O)/C=C/C[NH+]1CCOCC1)C(N)=O ZINC001335529186 885620946 /nfs/dbraw/zinc/62/09/46/885620946.db2.gz NGQUKNHSKKYKMG-PBKGFPTLSA-N 1 2 271.317 -1.509 20 0 CAADLO NC(=O)C(=O)N[C@H]1C[C@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001335759814 885634180 /nfs/dbraw/zinc/63/41/80/885634180.db2.gz GGXDIVQBAOVOAW-KYZUINATSA-N 1 2 279.300 -1.621 20 0 CAADLO C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@H]1CNOC1 ZINC001335930116 885638702 /nfs/dbraw/zinc/63/87/02/885638702.db2.gz REYKOFXIRXOEDK-ZJUUUORDSA-N 1 2 258.322 -1.090 20 0 CAADLO C[N@H+]1CC[C@](O)(C[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)C1 ZINC001336000071 885643354 /nfs/dbraw/zinc/64/33/54/885643354.db2.gz JKBQWWPTJQVGDP-KGLIPLIRSA-N 1 2 286.420 -1.749 20 0 CAADLO C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)N1CCCNC(=O)C1 ZINC001336259660 885653551 /nfs/dbraw/zinc/65/35/51/885653551.db2.gz SSLFAZZBHCOAJK-SNVBAGLBSA-N 1 2 293.327 -1.264 20 0 CAADLO C[C@H](C(=O)NC[C@H](O)CS(C)(=O)=O)[NH+](C)C ZINC001336530508 885662717 /nfs/dbraw/zinc/66/27/17/885662717.db2.gz KMZQDAZDYZTXGD-SFYZADRCSA-N 1 2 252.336 -1.542 20 0 CAADLO C[C@H](C(=O)NC[C@@H](O)CS(C)(=O)=O)[NH+](C)C ZINC001336530505 885662840 /nfs/dbraw/zinc/66/28/40/885662840.db2.gz KMZQDAZDYZTXGD-HTQZYQBOSA-N 1 2 252.336 -1.542 20 0 CAADLO O=C1CNC(=O)N1CC[N@@H+]1CCC[C@@H]2OCCNC(=O)[C@H]21 ZINC001336817826 885685766 /nfs/dbraw/zinc/68/57/66/885685766.db2.gz VBKJUSRTKFQTDP-ONGXEEELSA-N 1 2 296.327 -1.482 20 0 CAADLO O=C1CNC(=O)N1CC[N@H+]1CCC[C@@H]2OCCNC(=O)[C@H]21 ZINC001336817826 885685771 /nfs/dbraw/zinc/68/57/71/885685771.db2.gz VBKJUSRTKFQTDP-ONGXEEELSA-N 1 2 296.327 -1.482 20 0 CAADLO CNC(=O)[C@H](C)NS(=O)(=O)CCn1cc[nH+]c1 ZINC001336918041 885687985 /nfs/dbraw/zinc/68/79/85/885687985.db2.gz HDWKAWVTEFSALV-QMMMGPOBSA-N 1 2 260.319 -1.063 20 0 CAADLO C[C@@H](CN(C)C(=O)Cc1c[nH+]cn1C)NC(=O)CC(N)=O ZINC001337311327 885694229 /nfs/dbraw/zinc/69/42/29/885694229.db2.gz BVDHLPOUDZEIBR-VIFPVBQESA-N 1 2 295.343 -1.199 20 0 CAADLO COC(=O)[C@@H]1C[C@@H]1CNC(=O)CN1CC[NH2+]CC1=O ZINC001337140980 885694624 /nfs/dbraw/zinc/69/46/24/885694624.db2.gz SYWOMDMSBANSAB-RKDXNWHRSA-N 1 2 269.301 -1.657 20 0 CAADLO C[C@H](CN(C)C(=O)Cc1c[nH+]cn1C)NC(=O)CC(N)=O ZINC001337311326 885695873 /nfs/dbraw/zinc/69/58/73/885695873.db2.gz BVDHLPOUDZEIBR-SECBINFHSA-N 1 2 295.343 -1.199 20 0 CAADLO C[C@@H](NC(=O)c1nnn(C)n1)[C@@H]1C[N@H+](C)CCO1 ZINC001337637827 885716174 /nfs/dbraw/zinc/71/61/74/885716174.db2.gz ROOXLLNUPVSGNO-SFYZADRCSA-N 1 2 254.294 -1.341 20 0 CAADLO C[C@@H](NC(=O)c1nnn(C)n1)[C@@H]1C[N@@H+](C)CCO1 ZINC001337637827 885716179 /nfs/dbraw/zinc/71/61/79/885716179.db2.gz ROOXLLNUPVSGNO-SFYZADRCSA-N 1 2 254.294 -1.341 20 0 CAADLO C[C@]12C[N@@H+]([C@H]3CC(=O)NC3=O)C[C@H]1CS(=O)(=O)C2 ZINC001337681920 885718983 /nfs/dbraw/zinc/71/89/83/885718983.db2.gz OHZAKYKHKDQZJC-DKCNOQQISA-N 1 2 272.326 -1.232 20 0 CAADLO C[C@]12C[N@H+]([C@H]3CC(=O)NC3=O)C[C@H]1CS(=O)(=O)C2 ZINC001337681920 885718992 /nfs/dbraw/zinc/71/89/92/885718992.db2.gz OHZAKYKHKDQZJC-DKCNOQQISA-N 1 2 272.326 -1.232 20 0 CAADLO C[C@H](C[NH+]1CCOCC1)NC(=O)CN1C(=O)CNC1=O ZINC001337819736 885721245 /nfs/dbraw/zinc/72/12/45/885721245.db2.gz JWFATDNYUJNKIA-SECBINFHSA-N 1 2 284.316 -1.625 20 0 CAADLO COC(=O)c1cn([C@H]2CC[N@H+](CC(N)=O)C2)nn1 ZINC001337874198 885728076 /nfs/dbraw/zinc/72/80/76/885728076.db2.gz UECRFEVDAOFGHP-ZETCQYMHSA-N 1 2 253.262 -1.203 20 0 CAADLO COC(=O)c1cn([C@H]2CC[N@@H+](CC(N)=O)C2)nn1 ZINC001337874198 885728092 /nfs/dbraw/zinc/72/80/92/885728092.db2.gz UECRFEVDAOFGHP-ZETCQYMHSA-N 1 2 253.262 -1.203 20 0 CAADLO CN(C[C@H](O)CNC(=O)CCn1cc[nH+]c1)C(=O)C(N)=O ZINC001338595586 885749021 /nfs/dbraw/zinc/74/90/21/885749021.db2.gz ODROZBHQFYPROX-SECBINFHSA-N 1 2 297.315 -2.306 20 0 CAADLO CN(C[C@@H](O)CN(C)C(=O)C(N)=O)C(=O)Cn1cc[nH+]c1 ZINC001338664315 885753188 /nfs/dbraw/zinc/75/31/88/885753188.db2.gz JCQBTDKXASJOHX-SECBINFHSA-N 1 2 297.315 -2.354 20 0 CAADLO C[C@@H](O)C[N@H+](Cc1nc(N)nc(N)n1)[C@@H](C)CO ZINC001338723557 885754883 /nfs/dbraw/zinc/75/48/83/885754883.db2.gz IAEKJTPRCNBZJN-NKWVEPMBSA-N 1 2 256.310 -1.400 20 0 CAADLO C[C@@H](O)C[N@@H+](Cc1nc(N)nc(N)n1)[C@@H](C)CO ZINC001338723557 885754898 /nfs/dbraw/zinc/75/48/98/885754898.db2.gz IAEKJTPRCNBZJN-NKWVEPMBSA-N 1 2 256.310 -1.400 20 0 CAADLO C[N@@H+]1C[C@@H](O)C[C@@]1(C)C(=O)NCCc1nc[nH]n1 ZINC001339085423 885761982 /nfs/dbraw/zinc/76/19/82/885761982.db2.gz CYQBRKYBYQWCBW-KWQFWETISA-N 1 2 253.306 -1.082 20 0 CAADLO C[N@H+]1C[C@@H](O)C[C@@]1(C)C(=O)NCCc1nc[nH]n1 ZINC001339085423 885761993 /nfs/dbraw/zinc/76/19/93/885761993.db2.gz CYQBRKYBYQWCBW-KWQFWETISA-N 1 2 253.306 -1.082 20 0 CAADLO O=C(NCc1nn[nH]n1)C1C[NH+]([C@@H]2CCOC2)C1 ZINC001339070436 885764034 /nfs/dbraw/zinc/76/40/34/885764034.db2.gz SEJKOMABGSBXRM-MRVPVSSYSA-N 1 2 252.278 -1.463 20 0 CAADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)CCn1cnnn1 ZINC001339332761 885765604 /nfs/dbraw/zinc/76/56/04/885765604.db2.gz IMYOJMUIXODCAX-JTQLQIEISA-N 1 2 268.321 -1.100 20 0 CAADLO CN(C(=O)CC(N)=O)C1CC(NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001339164108 885767162 /nfs/dbraw/zinc/76/71/62/885767162.db2.gz GNUBWISNKAPFNC-UHFFFAOYSA-N 1 2 293.327 -1.067 20 0 CAADLO C[N@@H+]1CCO[C@H](C(=O)Nc2cnn(CC(N)=O)c2)C1 ZINC001339760690 885777147 /nfs/dbraw/zinc/77/71/47/885777147.db2.gz XPQQDKKZPAWZOK-VIFPVBQESA-N 1 2 267.289 -1.363 20 0 CAADLO C[N@H+]1CCO[C@H](C(=O)Nc2cnn(CC(N)=O)c2)C1 ZINC001339760690 885777163 /nfs/dbraw/zinc/77/71/63/885777163.db2.gz XPQQDKKZPAWZOK-VIFPVBQESA-N 1 2 267.289 -1.363 20 0 CAADLO Cn1ncnc1C1(O)CN(C(=O)Cn2cc[nH+]c2)C1 ZINC001339856231 885780990 /nfs/dbraw/zinc/78/09/90/885780990.db2.gz HXAIVRLEMXPYOT-UHFFFAOYSA-N 1 2 262.273 -1.258 20 0 CAADLO C[C@H](Cn1cc[nH+]c1)NC(=O)[C@H]1CN(C)C(=O)CN1 ZINC001340171058 885794912 /nfs/dbraw/zinc/79/49/12/885794912.db2.gz AGQDOXBZCOKVEH-NXEZZACHSA-N 1 2 265.317 -1.182 20 0 CAADLO CN(C(=O)C(=O)NCCn1cc[nH+]c1)[C@@H]1CCNC1=O ZINC001340226488 885799884 /nfs/dbraw/zinc/79/98/84/885799884.db2.gz HNGRRAIITXPXKD-SECBINFHSA-N 1 2 279.300 -1.654 20 0 CAADLO CN(C(=O)C(=O)NCCn1cc[nH+]c1)[C@H]1CCNC1=O ZINC001340226489 885799793 /nfs/dbraw/zinc/79/97/93/885799793.db2.gz HNGRRAIITXPXKD-VIFPVBQESA-N 1 2 279.300 -1.654 20 0 CAADLO CO[C@@H]1CN(C(=O)C(=O)NCCn2cc[nH+]c2)C[C@@H]1OC ZINC001340227667 885800079 /nfs/dbraw/zinc/80/00/79/885800079.db2.gz QCHIRTNKRLTEOY-PHIMTYICSA-N 1 2 296.327 -1.129 20 0 CAADLO O=C(NCCn1cc[nH+]c1)C(=O)N1C[C@@H]2C[C@]2(CO)C1 ZINC001340228611 885800169 /nfs/dbraw/zinc/80/01/69/885800169.db2.gz ZAMCXAKHAMKQSX-GXFFZTMASA-N 1 2 278.312 -1.160 20 0 CAADLO NC(=O)C(=O)NCC1(CCNC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001340598582 885806607 /nfs/dbraw/zinc/80/66/07/885806607.db2.gz FOOPGNDNHAFNGX-UHFFFAOYSA-N 1 2 293.327 -1.160 20 0 CAADLO O=C(CN1CC[NH2+]CC1=O)N1C[C@H](O)C2(CC2)C1 ZINC001340887985 885820136 /nfs/dbraw/zinc/82/01/36/885820136.db2.gz IFLKQIAJCJJQOJ-VIFPVBQESA-N 1 2 253.302 -1.599 20 0 CAADLO O=C(CN1CC[NH2+]CC1=O)NCCOC1CCOCC1 ZINC001341217702 885831032 /nfs/dbraw/zinc/83/10/32/885831032.db2.gz IBSNRFUZZHWBNG-UHFFFAOYSA-N 1 2 285.344 -1.270 20 0 CAADLO C[C@H](C(=O)NCCO[C@H]1CCOC1)N1CC[NH2+]CC1=O ZINC001341327730 885834300 /nfs/dbraw/zinc/83/43/00/885834300.db2.gz MUJTWPQZOJYSIL-MNOVXSKESA-N 1 2 285.344 -1.272 20 0 CAADLO O=C(CN1CC[NH2+]CC1=O)N[C@H]1COC[C@@H]1C1CC1 ZINC001341500227 885841524 /nfs/dbraw/zinc/84/15/24/885841524.db2.gz SSBBQTFKJOZXBW-MNOVXSKESA-N 1 2 267.329 -1.041 20 0 CAADLO O=C(CN1CC[NH2+]CC1=O)N[C@H]1COC[C@H]1C1CC1 ZINC001341500230 885842071 /nfs/dbraw/zinc/84/20/71/885842071.db2.gz SSBBQTFKJOZXBW-QWRGUYRKSA-N 1 2 267.329 -1.041 20 0 CAADLO NC(=O)[C@H]1CN(C(=O)C[C@H]([NH3+])C(F)F)CCO1 ZINC001341520693 885845697 /nfs/dbraw/zinc/84/56/97/885845697.db2.gz JRBYZFHSDOZORI-NTSWFWBYSA-N 1 2 251.233 -1.318 20 0 CAADLO O=C([C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)N1CCNNCC1 ZINC001342042017 885869743 /nfs/dbraw/zinc/86/97/43/885869743.db2.gz NZISCMYZHQIROE-OLZOCXBDSA-N 1 2 298.387 -1.197 20 0 CAADLO CNC(=O)[C@H]1C[N@H+](CCN2C(=O)CCC2=O)CCO1 ZINC001342105637 885873389 /nfs/dbraw/zinc/87/33/89/885873389.db2.gz JWBSPZWFOSQUMX-SECBINFHSA-N 1 2 269.301 -1.418 20 0 CAADLO COCCOCC[NH+]1CCN(C(=O)CON)CC1 ZINC001342158780 885874647 /nfs/dbraw/zinc/87/46/47/885874647.db2.gz CPADKKFKBOTAHZ-UHFFFAOYSA-N 1 2 261.322 -1.316 20 0 CAADLO CC[NH+]1CCN(C(=O)C(=O)NCc2nnc(C)[nH]2)CC1 ZINC001342274569 885879472 /nfs/dbraw/zinc/87/94/72/885879472.db2.gz SRTFPXPOOFBKFM-UHFFFAOYSA-N 1 2 280.332 -1.107 20 0 CAADLO O=C([C@H]1CCc2[nH+]ccn2C1)N1CC2(C1)NC(=O)NC2=O ZINC001342657742 885894123 /nfs/dbraw/zinc/89/41/23/885894123.db2.gz CVUVXSDYBXNVRV-QMMMGPOBSA-N 1 2 289.295 -1.134 20 0 CAADLO CCOCCOCCNC(=O)CN1CC[NH2+]CC1=O ZINC001342720608 885896955 /nfs/dbraw/zinc/89/69/55/885896955.db2.gz DJSAAFGUILEPQG-UHFFFAOYSA-N 1 2 273.333 -1.413 20 0 CAADLO NC(=O)CC(=O)N[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1O ZINC001343270223 885911392 /nfs/dbraw/zinc/91/13/92/885911392.db2.gz FSZCREJOKNZKTK-BDAKNGLRSA-N 1 2 295.299 -2.554 20 0 CAADLO CN(C[C@H]1CCN1C(=O)C(N)=O)C(=O)Cc1c[nH+]cn1C ZINC001344173078 885938484 /nfs/dbraw/zinc/93/84/84/885938484.db2.gz LQOHCHPEOQPGIL-SECBINFHSA-N 1 2 293.327 -1.493 20 0 CAADLO CN(C[C@H]1CCN1C(=O)C(N)=O)C(=O)Cc1c[nH+]c[nH]1 ZINC001344190084 885938540 /nfs/dbraw/zinc/93/85/40/885938540.db2.gz HDATTZGOKUBYNQ-SECBINFHSA-N 1 2 279.300 -1.503 20 0 CAADLO C[N@H+](CCNS(C)(=O)=O)[C@H]1CCC(=O)NC1=O ZINC001344557144 885943872 /nfs/dbraw/zinc/94/38/72/885943872.db2.gz RJQCIKNFXDICSN-ZETCQYMHSA-N 1 2 263.319 -1.727 20 0 CAADLO C[N@@H+](CCNS(C)(=O)=O)[C@H]1CCC(=O)NC1=O ZINC001344557144 885943889 /nfs/dbraw/zinc/94/38/89/885943889.db2.gz RJQCIKNFXDICSN-ZETCQYMHSA-N 1 2 263.319 -1.727 20 0 CAADLO COC(=O)[C@@H]1CCN(C(=O)C(=O)N2CC[NH+](C)CC2)C1 ZINC001344709147 885949022 /nfs/dbraw/zinc/94/90/22/885949022.db2.gz XGWDLYWPVXBCJQ-SNVBAGLBSA-N 1 2 283.328 -1.218 20 0 CAADLO CC[NH+]1CCN(C(=O)C(=O)N2CCN(C)C(=O)[C@H]2C)CC1 ZINC001344775015 885952896 /nfs/dbraw/zinc/95/28/96/885952896.db2.gz AEWXJJDRMVBCNO-LLVKDONJSA-N 1 2 296.371 -1.160 20 0 CAADLO O=C(CNC(=O)C(=O)NCCn1cc[nH+]c1)N1CCCC1 ZINC001344843468 885953240 /nfs/dbraw/zinc/95/32/40/885953240.db2.gz TWHJGMPJHFTIAH-UHFFFAOYSA-N 1 2 293.327 -1.262 20 0 CAADLO CNC(=O)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC001345145295 885956112 /nfs/dbraw/zinc/95/61/12/885956112.db2.gz CSABFQKYMWHHTE-VIFPVBQESA-N 1 2 259.306 -2.116 20 0 CAADLO CC(C)(C[NH3+])NC(=O)Cn1[nH]cc2c(=O)ncnc1-2 ZINC001345597762 885962427 /nfs/dbraw/zinc/96/24/27/885962427.db2.gz VBTYUQXFNDBOAV-UHFFFAOYSA-N 1 2 264.289 -1.075 20 0 CAADLO C[C@H]1CCN1C(=O)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC001345750871 885966067 /nfs/dbraw/zinc/96/60/67/885966067.db2.gz GPNUWEUFJSIHNO-NWDGAFQWSA-N 1 2 299.371 -1.241 20 0 CAADLO [NH3+]CCN(CCO)Cc1cc(=O)n2[nH]ccc2n1 ZINC001346018679 885982877 /nfs/dbraw/zinc/98/28/77/885982877.db2.gz YWCBVYIJMVLQNY-UHFFFAOYSA-N 1 2 251.290 -1.224 20 0 CAADLO O=C(c1cnn(CCO)c1)N1CC[NH+](CCO)CC1 ZINC001346164516 885989632 /nfs/dbraw/zinc/98/96/32/885989632.db2.gz SIWGRKFLLCRMBC-UHFFFAOYSA-N 1 2 268.317 -1.375 20 0 CAADLO C[C@H](C[NH+]1CCOCC1)NC(=O)Cn1ncnn1 ZINC001346181975 885989759 /nfs/dbraw/zinc/98/97/59/885989759.db2.gz VNRVWPNEWBTLTB-SECBINFHSA-N 1 2 254.294 -1.490 20 0 CAADLO NS(=O)(=O)CCOCCNC(=O)Cn1cc[nH+]c1 ZINC001346207579 885991875 /nfs/dbraw/zinc/99/18/75/885991875.db2.gz KXGYVQVPUJPBBB-UHFFFAOYSA-N 1 2 276.318 -1.696 20 0 CAADLO C[C@H]1C[N@H+](CCNC(=O)CN2C(=O)CCC2=O)CCO1 ZINC001346274763 885996658 /nfs/dbraw/zinc/99/66/58/885996658.db2.gz YLQGAJHIROXXDE-JTQLQIEISA-N 1 2 283.328 -1.028 20 0 CAADLO C[C@H]1C[N@@H+](CCNC(=O)CN2C(=O)CCC2=O)CCO1 ZINC001346274763 885996667 /nfs/dbraw/zinc/99/66/67/885996667.db2.gz YLQGAJHIROXXDE-JTQLQIEISA-N 1 2 283.328 -1.028 20 0 CAADLO C[C@H](NC(=O)Cn1ncnn1)[C@H](C)[NH+]1CCOCC1 ZINC001346411044 886003575 /nfs/dbraw/zinc/00/35/75/886003575.db2.gz OQUWZLINSAHJBP-UWVGGRQHSA-N 1 2 268.321 -1.102 20 0 CAADLO C[C@@H](NC(=O)Cn1ncnn1)[C@H](C)[NH+]1CCOCC1 ZINC001346411046 886004351 /nfs/dbraw/zinc/00/43/51/886004351.db2.gz OQUWZLINSAHJBP-ZJUUUORDSA-N 1 2 268.321 -1.102 20 0 CAADLO OCC(CO)[NH2+]Cc1nnnn1CC(F)(F)F ZINC001346428184 886005198 /nfs/dbraw/zinc/00/51/98/886005198.db2.gz VQXXARDXSCHWOF-UHFFFAOYSA-N 1 2 255.200 -1.322 20 0 CAADLO C[C@H]([C@H](C)NC(=O)Cn1ncnn1)[NH+]1CCOCC1 ZINC001346411045 886005634 /nfs/dbraw/zinc/00/56/34/886005634.db2.gz OQUWZLINSAHJBP-VHSXEESVSA-N 1 2 268.321 -1.102 20 0 CAADLO C[C@H](NC(=O)C(=O)N1CC[NH+](C2CC2)CC1)C(=O)N(C)C ZINC001346756595 886015402 /nfs/dbraw/zinc/01/54/02/886015402.db2.gz BQXFUTBYHIXJIW-JTQLQIEISA-N 1 2 296.371 -1.114 20 0 CAADLO C[C@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NCc1n[nH]c(=O)[nH]1 ZINC001346871527 886019933 /nfs/dbraw/zinc/01/99/33/886019933.db2.gz QWISOYUHAFLAIK-JGVFFNPUSA-N 1 2 266.305 -1.485 20 0 CAADLO C[C@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NCc1n[nH]c(=O)[nH]1 ZINC001346871527 886019945 /nfs/dbraw/zinc/01/99/45/886019945.db2.gz QWISOYUHAFLAIK-JGVFFNPUSA-N 1 2 266.305 -1.485 20 0 CAADLO C[C@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N(C)c1nn[nH]n1 ZINC001347324693 886036025 /nfs/dbraw/zinc/03/60/25/886036025.db2.gz BJMPOTMNYGVIMV-YUMQZZPRSA-N 1 2 251.294 -1.449 20 0 CAADLO C[C@H]1CN2CC[N@H+]1C[C@H]2C(=O)N(C)c1nn[nH]n1 ZINC001347324693 886036036 /nfs/dbraw/zinc/03/60/36/886036036.db2.gz BJMPOTMNYGVIMV-YUMQZZPRSA-N 1 2 251.294 -1.449 20 0 CAADLO C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N(C)c1nn[nH]n1 ZINC001347324692 886037390 /nfs/dbraw/zinc/03/73/90/886037390.db2.gz BJMPOTMNYGVIMV-SFYZADRCSA-N 1 2 251.294 -1.449 20 0 CAADLO C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)N(C)c1nn[nH]n1 ZINC001347324692 886037397 /nfs/dbraw/zinc/03/73/97/886037397.db2.gz BJMPOTMNYGVIMV-SFYZADRCSA-N 1 2 251.294 -1.449 20 0 CAADLO O=C(Cn1cc[nH+]c1)NCC(=O)N1CCOCC1 ZINC001347484535 886041030 /nfs/dbraw/zinc/04/10/30/886041030.db2.gz MLDGTPIFSMABTF-UHFFFAOYSA-N 1 2 252.274 -1.142 20 0 CAADLO Cc1nc(NC(=O)C(=O)N2CC[NH+](C)CC2)nn1C ZINC001347658190 886049405 /nfs/dbraw/zinc/04/94/05/886049405.db2.gz OHIHUJRFDZTQDI-UHFFFAOYSA-N 1 2 266.305 -1.164 20 0 CAADLO Cn1cnn(CC(=O)N[C@@H]2Cc3c[nH+]cn3C2)c1=O ZINC001348059609 886062524 /nfs/dbraw/zinc/06/25/24/886062524.db2.gz JFGWREFDZYFIPV-MRVPVSSYSA-N 1 2 262.273 -1.481 20 0 CAADLO Cn1cnn(CC(=O)N[C@H]2Cc3c[nH+]cn3C2)c1=O ZINC001348059611 886062580 /nfs/dbraw/zinc/06/25/80/886062580.db2.gz JFGWREFDZYFIPV-QMMMGPOBSA-N 1 2 262.273 -1.481 20 0 CAADLO Cn1cc(CC[N@@H+]2CCN3C(=O)NC(=O)[C@@H]3C2)nn1 ZINC001348154158 886065364 /nfs/dbraw/zinc/06/53/64/886065364.db2.gz QAACIJHYSDZBKW-VIFPVBQESA-N 1 2 264.289 -1.406 20 0 CAADLO Cn1cc(CC[N@H+]2CCN3C(=O)NC(=O)[C@@H]3C2)nn1 ZINC001348154158 886065372 /nfs/dbraw/zinc/06/53/72/886065372.db2.gz QAACIJHYSDZBKW-VIFPVBQESA-N 1 2 264.289 -1.406 20 0 CAADLO C[C@H]1C(=O)N(C)CCN1C(=O)C(=O)N1CC[NH+](C)CC1 ZINC001348238899 886065544 /nfs/dbraw/zinc/06/55/44/886065544.db2.gz JAYXEQKGHXEWCR-JTQLQIEISA-N 1 2 282.344 -1.551 20 0 CAADLO C[C@@H]1C(=O)N(C)CCN1C(=O)C(=O)N1CC[NH+](C)CC1 ZINC001348238902 886065741 /nfs/dbraw/zinc/06/57/41/886065741.db2.gz JAYXEQKGHXEWCR-SNVBAGLBSA-N 1 2 282.344 -1.551 20 0 CAADLO NC(=O)C[C@H]1C[N@H+](CCCS(N)(=O)=O)CCO1 ZINC001348247155 886065785 /nfs/dbraw/zinc/06/57/85/886065785.db2.gz JJNLHIORDVCOKC-QMMMGPOBSA-N 1 2 265.335 -1.759 20 0 CAADLO NC(=O)C[C@H]1C[N@@H+](CCCS(N)(=O)=O)CCO1 ZINC001348247155 886065789 /nfs/dbraw/zinc/06/57/89/886065789.db2.gz JJNLHIORDVCOKC-QMMMGPOBSA-N 1 2 265.335 -1.759 20 0 CAADLO COC(=O)N1CCN(C(=O)C(=O)N2CC[NH+](C)CC2)CC1 ZINC001348185763 886065865 /nfs/dbraw/zinc/06/58/65/886065865.db2.gz VIBSXEWBJSDQDG-UHFFFAOYSA-N 1 2 298.343 -1.329 20 0 CAADLO O=C(Cn1cc[nH+]c1)NN1CCS(=O)(=O)CC1 ZINC001348399961 886081905 /nfs/dbraw/zinc/08/19/05/886081905.db2.gz LRCOIXSXYTYGBQ-UHFFFAOYSA-N 1 2 258.303 -1.355 20 0 CAADLO O=C(Cn1cc[nH+]c1)NCCNC(=O)Cn1cnnn1 ZINC001348434586 886085543 /nfs/dbraw/zinc/08/55/43/886085543.db2.gz YWSFGUQLHOLSGY-UHFFFAOYSA-N 1 2 278.276 -2.198 20 0 CAADLO Cc1[nH+]c[nH]c1CC(=O)NCCNC(=O)[C@H]1COCCO1 ZINC001348515170 886087482 /nfs/dbraw/zinc/08/74/82/886087482.db2.gz OAPKHMNXGZUPFO-LLVKDONJSA-N 1 2 296.327 -1.092 20 0 CAADLO CC(=O)N(C)CC(=O)NCCNC(=O)Cn1cc[nH+]c1 ZINC001348504793 886088598 /nfs/dbraw/zinc/08/85/98/886088598.db2.gz LGNJBOOHPAWOPH-UHFFFAOYSA-N 1 2 281.316 -1.406 20 0 CAADLO C[S@](=O)CC[N@@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC001349082668 886113103 /nfs/dbraw/zinc/11/31/03/886113103.db2.gz YRYQBWBGLJLUGS-CLAHSXSESA-N 1 2 254.377 -1.012 20 0 CAADLO C[S@](=O)CC[N@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC001349082668 886113107 /nfs/dbraw/zinc/11/31/07/886113107.db2.gz YRYQBWBGLJLUGS-CLAHSXSESA-N 1 2 254.377 -1.012 20 0 CAADLO Cn1c[nH+]cc1CNC(=O)NCCN1C(=O)CNC1=O ZINC001348615743 886094820 /nfs/dbraw/zinc/09/48/20/886094820.db2.gz CSGQYAPYUQEONX-UHFFFAOYSA-N 1 2 280.288 -1.229 20 0 CAADLO NC(=O)CC(=O)NCCNC(=O)CCc1c[nH]c[nH+]1 ZINC001348680761 886098391 /nfs/dbraw/zinc/09/83/91/886098391.db2.gz QCISWQYVXSBIDF-UHFFFAOYSA-N 1 2 267.289 -1.550 20 0 CAADLO NC(=O)CC(=O)NCCNC(=O)CCc1c[nH+]c[nH]1 ZINC001348680761 886098398 /nfs/dbraw/zinc/09/83/98/886098398.db2.gz QCISWQYVXSBIDF-UHFFFAOYSA-N 1 2 267.289 -1.550 20 0 CAADLO O=C(NC1CC1)C(=O)N1CCO[C@@H](C[NH+]2CCOCC2)C1 ZINC001348742440 886101091 /nfs/dbraw/zinc/10/10/91/886101091.db2.gz URPNRCZVNNODFL-LBPRGKRZSA-N 1 2 297.355 -1.175 20 0 CAADLO CCNC(=O)CC(=O)NCCNC(=O)Cc1[nH]cc[nH+]1 ZINC001348827542 886102870 /nfs/dbraw/zinc/10/28/70/886102870.db2.gz LZKCCWCSPFXJCR-UHFFFAOYSA-N 1 2 281.316 -1.289 20 0 CAADLO O=C(CCc1c[nH]c[nH+]1)NCCNC(=O)[C@@H]1COC(=O)N1 ZINC001348891872 886105842 /nfs/dbraw/zinc/10/58/42/886105842.db2.gz CYIBSELQJXXSAJ-VIFPVBQESA-N 1 2 295.299 -1.317 20 0 CAADLO O=C(CCc1c[nH+]c[nH]1)NCCNC(=O)[C@@H]1COC(=O)N1 ZINC001348891872 886105851 /nfs/dbraw/zinc/10/58/51/886105851.db2.gz CYIBSELQJXXSAJ-VIFPVBQESA-N 1 2 295.299 -1.317 20 0 CAADLO Cc1[nH+]c[nH]c1CC(=O)NCCNC(=O)[C@H]1COC(=O)N1 ZINC001348886575 886106073 /nfs/dbraw/zinc/10/60/73/886106073.db2.gz HICSUPSWYPIOHM-SECBINFHSA-N 1 2 295.299 -1.399 20 0 CAADLO Cn1cnc(C(=O)NCCNC(=O)CCn2cc[nH+]c2)n1 ZINC001348906842 886106753 /nfs/dbraw/zinc/10/67/53/886106753.db2.gz GKIPCYZEPFINIV-UHFFFAOYSA-N 1 2 291.315 -1.052 20 0 CAADLO C[N@@H+]1CCN(C(=O)c2cnn(CCO)c2)[C@H](CO)C1 ZINC001348887302 886106824 /nfs/dbraw/zinc/10/68/24/886106824.db2.gz HYDZZNJNZKULGE-NSHDSACASA-N 1 2 268.317 -1.376 20 0 CAADLO C[N@H+]1CCN(C(=O)c2cnn(CCO)c2)[C@H](CO)C1 ZINC001348887302 886106826 /nfs/dbraw/zinc/10/68/26/886106826.db2.gz HYDZZNJNZKULGE-NSHDSACASA-N 1 2 268.317 -1.376 20 0 CAADLO Cn1nncc1C1(O)CN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001349056435 886112395 /nfs/dbraw/zinc/11/23/95/886112395.db2.gz NXQJIASKJVJPNQ-UHFFFAOYSA-N 1 2 262.273 -1.189 20 0 CAADLO O=C(CCc1c[nH]c[nH+]1)NCCNC(=O)[C@@H]1CCC(=O)N1 ZINC001349202654 886118875 /nfs/dbraw/zinc/11/88/75/886118875.db2.gz PGMHRYRNJARPFH-JTQLQIEISA-N 1 2 293.327 -1.147 20 0 CAADLO O=C(CCc1c[nH+]c[nH]1)NCCNC(=O)[C@@H]1CCC(=O)N1 ZINC001349202654 886118879 /nfs/dbraw/zinc/11/88/79/886118879.db2.gz PGMHRYRNJARPFH-JTQLQIEISA-N 1 2 293.327 -1.147 20 0 CAADLO O=C(Cn1cc[nH+]c1)NCCNC(=O)[C@@H]1CCC(=O)N1 ZINC001349261640 886119359 /nfs/dbraw/zinc/11/93/59/886119359.db2.gz FXOGKXQATHKCTE-VIFPVBQESA-N 1 2 279.300 -1.606 20 0 CAADLO CNC(=O)C1(C(=O)NCCNC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001349310933 886121954 /nfs/dbraw/zinc/12/19/54/886121954.db2.gz QJIFHZJBEJXXIN-UHFFFAOYSA-N 1 2 293.327 -1.289 20 0 CAADLO CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)C(=O)c1cnn(C)c1 ZINC001349386573 886125134 /nfs/dbraw/zinc/12/51/34/886125134.db2.gz QTMCLFUVMRZVAA-JTQLQIEISA-N 1 2 294.311 -1.034 20 0 CAADLO C[C@@H](C[NH3+])CNC(=O)Cn1[nH]cc2c(=O)ncnc1-2 ZINC001349403605 886125958 /nfs/dbraw/zinc/12/59/58/886125958.db2.gz OABQPHCFMIXMQB-ZETCQYMHSA-N 1 2 264.289 -1.218 20 0 CAADLO C[C@@]1(C(=O)NCCNC(=O)Cc2c[nH]c[nH+]2)CCC(=O)N1 ZINC001349557591 886135271 /nfs/dbraw/zinc/13/52/71/886135271.db2.gz DTSIQXKFMREFAR-ZDUSSCGKSA-N 1 2 293.327 -1.147 20 0 CAADLO COC(=O)C1(NC(=O)[C@H](C)N2CC[NH2+]CC2=O)CC1 ZINC001349600127 886138041 /nfs/dbraw/zinc/13/80/41/886138041.db2.gz RMZUWEIYVUKZIA-QMMMGPOBSA-N 1 2 269.301 -1.372 20 0 CAADLO CC[NH+]1CCN(C(=O)C(=O)N2C[C@H](O)C[C@H]2COC)CC1 ZINC001349612009 886139093 /nfs/dbraw/zinc/13/90/93/886139093.db2.gz AZOBMDXXAWBGMW-NWDGAFQWSA-N 1 2 299.371 -1.241 20 0 CAADLO CCn1ncnc1C[NH2+]CCNS(=O)(=O)N(C)C ZINC001349624771 886141442 /nfs/dbraw/zinc/14/14/42/886141442.db2.gz KTNHVUNGBYQJTA-UHFFFAOYSA-N 1 2 276.366 -1.216 20 0 CAADLO NC(=O)CC(=O)NCCCNC(=O)Cn1cc[nH+]c1 ZINC001349843638 886153655 /nfs/dbraw/zinc/15/36/55/886153655.db2.gz NHCQCPLWYOAZPG-UHFFFAOYSA-N 1 2 267.289 -1.619 20 0 CAADLO O=C(Cn1cc[nH+]c1)NCCCNC(=O)[C@H]1COC(=O)N1 ZINC001349972738 886154983 /nfs/dbraw/zinc/15/49/83/886154983.db2.gz WETYYVKVUDHOJD-SECBINFHSA-N 1 2 295.299 -1.386 20 0 CAADLO O=C(Cn1cc[nH+]c1)NCCCNC(=O)[C@@H]1COC(=O)N1 ZINC001349972740 886155058 /nfs/dbraw/zinc/15/50/58/886155058.db2.gz WETYYVKVUDHOJD-VIFPVBQESA-N 1 2 295.299 -1.386 20 0 CAADLO CNC(=O)NCC(=O)NCCCNC(=O)Cc1[nH]cc[nH+]1 ZINC001350163436 886161328 /nfs/dbraw/zinc/16/13/28/886161328.db2.gz AAFUNRCTNACQGE-UHFFFAOYSA-N 1 2 296.331 -1.496 20 0 CAADLO O=C(Cc1[nH]cc[nH+]1)NCCCNC(=O)[C@@H]1CCC(=O)N1 ZINC001350330474 886163867 /nfs/dbraw/zinc/16/38/67/886163867.db2.gz DDOYPFGWHCRVIR-VIFPVBQESA-N 1 2 293.327 -1.147 20 0 CAADLO NS(=O)(=O)c1cc(C[NH+](CCO)CCO)co1 ZINC001350363321 886169699 /nfs/dbraw/zinc/16/96/99/886169699.db2.gz CXMHKQLVTWJHEE-UHFFFAOYSA-N 1 2 264.303 -1.286 20 0 CAADLO C/C=C\[C@H](O)C(=O)N[C@@H]1CCC[N@H+](CC(N)=O)C1 ZINC001350585414 886176659 /nfs/dbraw/zinc/17/66/59/886176659.db2.gz KIEVREYYVCPUSY-IMDSDMBUSA-N 1 2 255.318 -1.011 20 0 CAADLO C/C=C\[C@H](O)C(=O)N[C@@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001350585414 886176668 /nfs/dbraw/zinc/17/66/68/886176668.db2.gz KIEVREYYVCPUSY-IMDSDMBUSA-N 1 2 255.318 -1.011 20 0 CAADLO CN(C(=O)CCc1[nH]cc[nH+]1)[C@H]1CCN(C(=O)C(N)=O)C1 ZINC001350743454 886183184 /nfs/dbraw/zinc/18/31/84/886183184.db2.gz JYEXXQRVAJBWDX-VIFPVBQESA-N 1 2 293.327 -1.113 20 0 CAADLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)Cn1ncnn1 ZINC001351165904 886201220 /nfs/dbraw/zinc/20/12/20/886201220.db2.gz QZICFEHYDHRMAR-SNVBAGLBSA-N 1 2 267.337 -1.575 20 0 CAADLO COC(=O)[C@@H](O)CCNC(=O)/C=C\C[NH+]1CCOCC1 ZINC001351156474 886201438 /nfs/dbraw/zinc/20/14/38/886201438.db2.gz KYVYVUDBHFKASP-QUCGXOGASA-N 1 2 286.328 -1.085 20 0 CAADLO C[C@H]1C[N@H+](C[C@H](O)CO)CCN1S(C)(=O)=O ZINC001351184282 886201465 /nfs/dbraw/zinc/20/14/65/886201465.db2.gz SRRLICQXBQXBNM-IUCAKERBSA-N 1 2 252.336 -1.695 20 0 CAADLO C[C@H]1C[N@@H+](C[C@H](O)CO)CCN1S(C)(=O)=O ZINC001351184282 886201478 /nfs/dbraw/zinc/20/14/78/886201478.db2.gz SRRLICQXBQXBNM-IUCAKERBSA-N 1 2 252.336 -1.695 20 0 CAADLO CO[C@@H]1CCOC[C@H]1NC(=O)C(=O)NCCn1cc[nH+]c1 ZINC001351091838 886201500 /nfs/dbraw/zinc/20/15/00/886201500.db2.gz RYAQOEYNPFOKKH-GHMZBOCLSA-N 1 2 296.327 -1.081 20 0 CAADLO C[N@@H+]1CC[C@H]1CNC(=O)C(=O)NCC[S@](C)=O ZINC001351250395 886204630 /nfs/dbraw/zinc/20/46/30/886204630.db2.gz RFJSIOZETPGLNK-QPFGOUBPSA-N 1 2 261.347 -1.699 20 0 CAADLO C[N@H+]1CC[C@H]1CNC(=O)C(=O)NCC[S@](C)=O ZINC001351250395 886204645 /nfs/dbraw/zinc/20/46/45/886204645.db2.gz RFJSIOZETPGLNK-QPFGOUBPSA-N 1 2 261.347 -1.699 20 0 CAADLO C[C@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NN1CC(=O)N(C)C1=O ZINC001351720438 886227074 /nfs/dbraw/zinc/22/70/74/886227074.db2.gz PKHJDOXZLWYJDS-DTWKUNHWSA-N 1 2 281.316 -1.700 20 0 CAADLO C[C@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NN1CC(=O)N(C)C1=O ZINC001351720438 886227086 /nfs/dbraw/zinc/22/70/86/886227086.db2.gz PKHJDOXZLWYJDS-DTWKUNHWSA-N 1 2 281.316 -1.700 20 0 CAADLO Cn1nncc1C1(O)CN(C(=O)Cn2cc[nH+]c2)C1 ZINC001352636111 886243713 /nfs/dbraw/zinc/24/37/13/886243713.db2.gz BILNKPKZDRTUJS-UHFFFAOYSA-N 1 2 262.273 -1.258 20 0 CAADLO Cn1nnnc1CC[N@@H+]1CC[C@H](S(C)(=O)=O)C1 ZINC001352889078 886251403 /nfs/dbraw/zinc/25/14/03/886251403.db2.gz CGOGUTMMTYPZGB-QMMMGPOBSA-N 1 2 259.335 -1.129 20 0 CAADLO Cn1nnnc1CC[N@H+]1CC[C@H](S(C)(=O)=O)C1 ZINC001352889078 886251419 /nfs/dbraw/zinc/25/14/19/886251419.db2.gz CGOGUTMMTYPZGB-QMMMGPOBSA-N 1 2 259.335 -1.129 20 0 CAADLO Cn1nnnc1CC[N@@H+]1CC[C@@H](S(C)(=O)=O)C1 ZINC001352889074 886252709 /nfs/dbraw/zinc/25/27/09/886252709.db2.gz CGOGUTMMTYPZGB-MRVPVSSYSA-N 1 2 259.335 -1.129 20 0 CAADLO Cn1nnnc1CC[N@H+]1CC[C@@H](S(C)(=O)=O)C1 ZINC001352889074 886252725 /nfs/dbraw/zinc/25/27/25/886252725.db2.gz CGOGUTMMTYPZGB-MRVPVSSYSA-N 1 2 259.335 -1.129 20 0 CAADLO CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)[C@H]1OCCN(C)C1=O ZINC001353002681 886257051 /nfs/dbraw/zinc/25/70/51/886257051.db2.gz ADVVSWJUQLZRES-UWVGGRQHSA-N 1 2 299.327 -1.793 20 0 CAADLO NC(=O)C(=O)NC[C@H](NC(=O)CCc1c[nH]c[nH+]1)C1CC1 ZINC001353192377 886267333 /nfs/dbraw/zinc/26/73/33/886267333.db2.gz HCHBGKXFDIFWLL-JTQLQIEISA-N 1 2 293.327 -1.161 20 0 CAADLO NC(=O)C(=O)NC[C@H](NC(=O)CCc1c[nH+]c[nH]1)C1CC1 ZINC001353192377 886267351 /nfs/dbraw/zinc/26/73/51/886267351.db2.gz HCHBGKXFDIFWLL-JTQLQIEISA-N 1 2 293.327 -1.161 20 0 CAADLO NC(=O)CC(=O)N[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)C1CC1 ZINC001353225887 886272155 /nfs/dbraw/zinc/27/21/55/886272155.db2.gz OLEJAOFVSMTIED-JTQLQIEISA-N 1 2 293.327 -1.161 20 0 CAADLO C[C@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2cn(C)nn2)CC1 ZINC001353372918 886274949 /nfs/dbraw/zinc/27/49/49/886274949.db2.gz DBWCMRBTFFLGPM-VIFPVBQESA-N 1 2 296.331 -1.721 20 0 CAADLO CN1CCC[C@H](C(=O)N[C@@H]2CCC[N@H+](CC(N)=O)C2)C1=O ZINC001353888830 886293879 /nfs/dbraw/zinc/29/38/79/886293879.db2.gz XTAGNSQMJKYNLX-GHMZBOCLSA-N 1 2 296.371 -1.079 20 0 CAADLO CN1CCC[C@H](C(=O)N[C@@H]2CCC[N@@H+](CC(N)=O)C2)C1=O ZINC001353888830 886293898 /nfs/dbraw/zinc/29/38/98/886293898.db2.gz XTAGNSQMJKYNLX-GHMZBOCLSA-N 1 2 296.371 -1.079 20 0 CAADLO C[C@H](NC(=O)Cn1cnnn1)[C@H]1CN(C)CC[N@@H+]1C ZINC001353888476 886294489 /nfs/dbraw/zinc/29/44/89/886294489.db2.gz VGZGOMQZSSPDKC-VHSXEESVSA-N 1 2 267.337 -1.576 20 0 CAADLO C[C@H](NC(=O)Cn1cnnn1)[C@H]1CN(C)CC[N@H+]1C ZINC001353888476 886294508 /nfs/dbraw/zinc/29/45/08/886294508.db2.gz VGZGOMQZSSPDKC-VHSXEESVSA-N 1 2 267.337 -1.576 20 0 CAADLO C[N@@H+]1C[C@@H](O)C[C@@]1(C)C(=O)NCCCS(C)(=O)=O ZINC001353876065 886294895 /nfs/dbraw/zinc/29/48/95/886294895.db2.gz KRLJJIVULSJJDC-ONGXEEELSA-N 1 2 278.374 -1.008 20 0 CAADLO C[N@H+]1C[C@@H](O)C[C@@]1(C)C(=O)NCCCS(C)(=O)=O ZINC001353876065 886294914 /nfs/dbraw/zinc/29/49/14/886294914.db2.gz KRLJJIVULSJJDC-ONGXEEELSA-N 1 2 278.374 -1.008 20 0 CAADLO COC(=O)COCC(=O)N1CC[N@H+](C)C[C@H]1CO ZINC001354102653 886297204 /nfs/dbraw/zinc/29/72/04/886297204.db2.gz SSAODCVTPYEBPA-VIFPVBQESA-N 1 2 260.290 -1.689 20 0 CAADLO COC(=O)COCC(=O)N1CC[N@@H+](C)C[C@H]1CO ZINC001354102653 886297222 /nfs/dbraw/zinc/29/72/22/886297222.db2.gz SSAODCVTPYEBPA-VIFPVBQESA-N 1 2 260.290 -1.689 20 0 CAADLO CCn1ncc(C[NH2+]C[C@H](O)CS(C)(=O)=O)n1 ZINC001354181083 886302207 /nfs/dbraw/zinc/30/22/07/886302207.db2.gz KKPANLCVJLATLU-VIFPVBQESA-N 1 2 262.335 -1.207 20 0 CAADLO C[N@H+](CCNC(=O)CS(C)(=O)=O)CCOCCO ZINC001354172243 886302282 /nfs/dbraw/zinc/30/22/82/886302282.db2.gz XMMZIHSPHPTGAX-UHFFFAOYSA-N 1 2 282.362 -1.912 20 0 CAADLO C[N@@H+](CCNC(=O)CS(C)(=O)=O)CCOCCO ZINC001354172243 886302292 /nfs/dbraw/zinc/30/22/92/886302292.db2.gz XMMZIHSPHPTGAX-UHFFFAOYSA-N 1 2 282.362 -1.912 20 0 CAADLO O=C(CN1CCNC(=O)C1)N[C@H]1CCn2c[nH+]cc21 ZINC001354102965 886303797 /nfs/dbraw/zinc/30/37/97/886303797.db2.gz YAVVYQLCHRQZHU-VIFPVBQESA-N 1 2 263.301 -1.124 20 0 CAADLO C[C@H](CNC(=O)[C@H]1CCc2[nH+]ccn2C1)NC(=O)C(N)=O ZINC001354504849 886312427 /nfs/dbraw/zinc/31/24/27/886312427.db2.gz FFZDUVQHMJSVGS-BDAKNGLRSA-N 1 2 293.327 -1.448 20 0 CAADLO C[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)NC(=O)CC(N)=O ZINC001354676910 886322619 /nfs/dbraw/zinc/32/26/19/886322619.db2.gz WJXFBLKJNLQMQJ-ZETCQYMHSA-N 1 2 267.289 -1.552 20 0 CAADLO COCC(COC)N1CC[NH+](C[C@@H](O)CO)CC1 ZINC001354763327 886326136 /nfs/dbraw/zinc/32/61/36/886326136.db2.gz NGDLNCSMNRYAJD-GFCCVEGCSA-N 1 2 262.350 -1.381 20 0 CAADLO NC(=O)C(=O)N1CC[C@@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001354934423 886330167 /nfs/dbraw/zinc/33/01/67/886330167.db2.gz INTLLDNDMPZJFX-QMMMGPOBSA-N 1 2 279.300 -1.598 20 0 CAADLO O=C(CN1CC[NH2+]CC1=O)NCCO[C@H]1CCOC1 ZINC001355170026 886335987 /nfs/dbraw/zinc/33/59/87/886335987.db2.gz LBHPPNAFJOUSMP-JTQLQIEISA-N 1 2 271.317 -1.660 20 0 CAADLO O=C(CN1CC[NH2+]CC1=O)NCCO[C@@H]1CCOC1 ZINC001355170027 886337839 /nfs/dbraw/zinc/33/78/39/886337839.db2.gz LBHPPNAFJOUSMP-SNVBAGLBSA-N 1 2 271.317 -1.660 20 0 CAADLO C[C@H](CCNC(=O)CCc1[nH+]ccn1C)NC(=O)C(N)=O ZINC001355255344 886338544 /nfs/dbraw/zinc/33/85/44/886338544.db2.gz UWKCKIAYINIEHQ-SECBINFHSA-N 1 2 295.343 -1.151 20 0 CAADLO CN(CCNC(=O)[C@@H]1CCn2cc[nH+]c2C1)C(=O)C(N)=O ZINC001355699964 886343183 /nfs/dbraw/zinc/34/31/83/886343183.db2.gz BFBBAUHIQWAWAT-SECBINFHSA-N 1 2 293.327 -1.495 20 0 CAADLO CN(CCNC(=O)[C@H]1CCn2cc[nH+]c2C1)C(=O)C(N)=O ZINC001355699965 886346151 /nfs/dbraw/zinc/34/61/51/886346151.db2.gz BFBBAUHIQWAWAT-VIFPVBQESA-N 1 2 293.327 -1.495 20 0 CAADLO Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@H]1CNC(=O)C(N)=O ZINC001356394904 886362516 /nfs/dbraw/zinc/36/25/16/886362516.db2.gz OULWBIPIPOVWJJ-VIFPVBQESA-N 1 2 293.327 -1.147 20 0 CAADLO CCCN(CCNC(=O)C(N)=O)C(=O)Cc1[nH]cc[nH+]1 ZINC001356529025 886371954 /nfs/dbraw/zinc/37/19/54/886371954.db2.gz UMVSXBYMQUDCED-UHFFFAOYSA-N 1 2 281.316 -1.208 20 0 CAADLO CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)[C@@H]1CCCNC1=O ZINC001356632053 886372998 /nfs/dbraw/zinc/37/29/98/886372998.db2.gz TUOXRSGUTAEMPI-ZJUUUORDSA-N 1 2 283.328 -1.124 20 0 CAADLO CC(=O)N(C)CC[NH+]1CCN(C(=O)CC(N)=O)CC1 ZINC001356698215 886375280 /nfs/dbraw/zinc/37/52/80/886375280.db2.gz FJBSRAWTJNRRJT-UHFFFAOYSA-N 1 2 270.333 -1.516 20 0 CAADLO NC(=O)CC(=O)N1CC(NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001356769571 886380365 /nfs/dbraw/zinc/38/03/65/886380365.db2.gz AOYIJXNDNMHEOG-UHFFFAOYSA-N 1 2 279.300 -1.455 20 0 CAADLO NC(=O)CC(=O)N1CC(NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001356769571 886380384 /nfs/dbraw/zinc/38/03/84/886380384.db2.gz AOYIJXNDNMHEOG-UHFFFAOYSA-N 1 2 279.300 -1.455 20 0 CAADLO NC(=O)C1(C(=O)NC2CN(C(=O)Cc3[nH]cc[nH+]3)C2)CC1 ZINC001356788506 886382117 /nfs/dbraw/zinc/38/21/17/886382117.db2.gz NOIUVILSRMJWHU-UHFFFAOYSA-N 1 2 291.311 -1.455 20 0 CAADLO CCN(C(=O)C(N)=O)[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001356860388 886385681 /nfs/dbraw/zinc/38/56/81/886385681.db2.gz FWZDRRRYFHWZNQ-SECBINFHSA-N 1 2 293.327 -1.113 20 0 CAADLO CC[C@@H](CNC(=O)CCc1c[nH+]cn1C)NC(=O)C(N)=O ZINC001356913708 886389398 /nfs/dbraw/zinc/38/93/98/886389398.db2.gz OCCOBELYTLPALR-VIFPVBQESA-N 1 2 295.343 -1.151 20 0 CAADLO C[C@H](CNC(=O)C(N)=O)CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001357026153 886393324 /nfs/dbraw/zinc/39/33/24/886393324.db2.gz QKSXKRJAQACYGN-IUCAKERBSA-N 1 2 295.343 -1.058 20 0 CAADLO C[C@H](CNC(=O)C(N)=O)CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001357026153 886393338 /nfs/dbraw/zinc/39/33/38/886393338.db2.gz QKSXKRJAQACYGN-IUCAKERBSA-N 1 2 295.343 -1.058 20 0 CAADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(C)CCN(C)C(=O)C(N)=O ZINC001357235161 886395372 /nfs/dbraw/zinc/39/53/72/886395372.db2.gz KDNGSAKIVPTKBU-VIFPVBQESA-N 1 2 295.343 -1.010 20 0 CAADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N(C)CCN(C)C(=O)C(N)=O ZINC001357235161 886395390 /nfs/dbraw/zinc/39/53/90/886395390.db2.gz KDNGSAKIVPTKBU-VIFPVBQESA-N 1 2 295.343 -1.010 20 0 CAADLO CC(C)[C@@H](CNC(=O)Cn1cc[nH+]c1)NC(=O)C(N)=O ZINC001357103100 886395503 /nfs/dbraw/zinc/39/55/03/886395503.db2.gz CAZKMUIVMCAWOQ-SECBINFHSA-N 1 2 281.316 -1.375 20 0 CAADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(C)CCN(C)C(=O)C(N)=O ZINC001357235160 886398210 /nfs/dbraw/zinc/39/82/10/886398210.db2.gz KDNGSAKIVPTKBU-SECBINFHSA-N 1 2 295.343 -1.010 20 0 CAADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(C)CCN(C)C(=O)C(N)=O ZINC001357235160 886398229 /nfs/dbraw/zinc/39/82/29/886398229.db2.gz KDNGSAKIVPTKBU-SECBINFHSA-N 1 2 295.343 -1.010 20 0 CAADLO NC(=O)C(=O)N[C@H]1CCC[C@H]1CNC(=O)Cc1c[nH]c[nH+]1 ZINC001357357945 886399251 /nfs/dbraw/zinc/39/92/51/886399251.db2.gz YCVRQKALQUPWGU-WPRPVWTQSA-N 1 2 293.327 -1.161 20 0 CAADLO NC(=O)C(=O)N[C@@H]1CCC[C@@H]1CNC(=O)Cc1c[nH]c[nH+]1 ZINC001357357939 886401354 /nfs/dbraw/zinc/40/13/54/886401354.db2.gz YCVRQKALQUPWGU-PSASIEDQSA-N 1 2 293.327 -1.161 20 0 CAADLO C[C@H](CNC(=O)C(N)=O)NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001358184305 886420441 /nfs/dbraw/zinc/42/04/41/886420441.db2.gz UEUGRLPDTITWJI-JGVFFNPUSA-N 1 2 281.316 -1.306 20 0 CAADLO C[C@H](CNC(=O)C(N)=O)NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001358184305 886420445 /nfs/dbraw/zinc/42/04/45/886420445.db2.gz UEUGRLPDTITWJI-JGVFFNPUSA-N 1 2 281.316 -1.306 20 0 CAADLO O=C(CN1CC[NH2+]CC1=O)NCC[C@@H]1CNC(=O)C1 ZINC001358202054 886420848 /nfs/dbraw/zinc/42/08/48/886420848.db2.gz KBYCYWWBWGUXHG-VIFPVBQESA-N 1 2 268.317 -1.939 20 0 CAADLO NC(=O)CC(=O)NC[C@@H]1CCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001358595440 886433211 /nfs/dbraw/zinc/43/32/11/886433211.db2.gz NUPMIWSQEDHFBX-VIFPVBQESA-N 1 2 279.300 -1.455 20 0 CAADLO NC(=O)CC(=O)NC[C@@H]1CCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001358595033 886433249 /nfs/dbraw/zinc/43/32/49/886433249.db2.gz FAYNCQCBLUFTPY-JTQLQIEISA-N 1 2 293.327 -1.065 20 0 CAADLO NC(=O)CC(=O)NC[C@@H]1CCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001358595033 886433265 /nfs/dbraw/zinc/43/32/65/886433265.db2.gz FAYNCQCBLUFTPY-JTQLQIEISA-N 1 2 293.327 -1.065 20 0 CAADLO Cn1cc[nH+]c1CCC(=O)NCC1(NC(=O)C(N)=O)CC1 ZINC001358683605 886440577 /nfs/dbraw/zinc/44/05/77/886440577.db2.gz FEAVIVFIPDSVLF-UHFFFAOYSA-N 1 2 293.327 -1.397 20 0 CAADLO C[C@]1(NC(=O)Cc2[nH]cc[nH+]2)CCN(C(=O)CC(N)=O)C1 ZINC001358803738 886443076 /nfs/dbraw/zinc/44/30/76/886443076.db2.gz GZZSYRVZRNZYTC-ZDUSSCGKSA-N 1 2 293.327 -1.065 20 0 CAADLO CN(C(=O)CC(N)=O)C1CN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001358724411 886443319 /nfs/dbraw/zinc/44/33/19/886443319.db2.gz WVVAVCNRHVNZPO-UHFFFAOYSA-N 1 2 293.327 -1.113 20 0 CAADLO C[C@@H](CC(=O)N(C)C1CN(C(=O)C(N)=O)C1)n1cc[nH+]c1 ZINC001358731420 886443402 /nfs/dbraw/zinc/44/34/02/886443402.db2.gz LIQWNYOPJUQKBG-VIFPVBQESA-N 1 2 293.327 -1.011 20 0 CAADLO C[C@@]1(CNC(=O)Cn2cc[nH+]c2)CCN(C(=O)C(N)=O)C1 ZINC001358832708 886445271 /nfs/dbraw/zinc/44/52/71/886445271.db2.gz NXUPTSARZVCGIL-ZDUSSCGKSA-N 1 2 293.327 -1.277 20 0 CAADLO Cc1cc(NC(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)c(C)c[nH+]1 ZINC001361403134 886455673 /nfs/dbraw/zinc/45/56/73/886455673.db2.gz DZQMERKFFSJFPL-JTQLQIEISA-N 1 2 297.336 -1.028 20 0 CAADLO NC(=O)CNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001361446950 886456283 /nfs/dbraw/zinc/45/62/83/886456283.db2.gz JOWOKOZJYLIQAR-ZJUUUORDSA-N 1 2 271.317 -1.532 20 0 CAADLO O=C(N[C@H]1CCNC1=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001361569109 886465335 /nfs/dbraw/zinc/46/53/35/886465335.db2.gz RVZXGAADXFQHFU-WOPDTQHZSA-N 1 2 297.355 -1.129 20 0 CAADLO Nc1c(=O)[nH]c(=O)[nH]c1C(=O)N1CC[NH+](CCO)CC1 ZINC001361786480 886486777 /nfs/dbraw/zinc/48/67/77/886486777.db2.gz GOQBKWJCXUDUHG-UHFFFAOYSA-N 1 2 283.288 -1.780 20 0 CAADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)C2(O)COC2)CC1 ZINC001361880697 886495824 /nfs/dbraw/zinc/49/58/24/886495824.db2.gz PXZBNLCJRLHKFW-UHFFFAOYSA-N 1 2 285.344 -1.582 20 0 CAADLO CCNC(=O)C[N@H+]1CCCN(C(=O)C2(O)COC2)CC1 ZINC001361880697 886495836 /nfs/dbraw/zinc/49/58/36/886495836.db2.gz PXZBNLCJRLHKFW-UHFFFAOYSA-N 1 2 285.344 -1.582 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@@H](NC(=O)Cc2nnc(N)s2)C1 ZINC001361928371 886505440 /nfs/dbraw/zinc/50/54/40/886505440.db2.gz AUHZDFMTJMEFNX-SSDOTTSWSA-N 1 2 298.372 -1.271 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@@H](NC(=O)Cc2nnc(N)s2)C1 ZINC001361928371 886505452 /nfs/dbraw/zinc/50/54/52/886505452.db2.gz AUHZDFMTJMEFNX-SSDOTTSWSA-N 1 2 298.372 -1.271 20 0 CAADLO C[C@H](NC(=O)Cn1nnc(N)n1)[C@@H]1CN(C)CC[N@@H+]1C ZINC001361980710 886511425 /nfs/dbraw/zinc/51/14/25/886511425.db2.gz MILCQLUJKYAVBY-IUCAKERBSA-N 1 2 282.352 -1.994 20 0 CAADLO C[C@H](NC(=O)Cn1nnc(N)n1)[C@@H]1CN(C)CC[N@H+]1C ZINC001361980710 886511439 /nfs/dbraw/zinc/51/14/39/886511439.db2.gz MILCQLUJKYAVBY-IUCAKERBSA-N 1 2 282.352 -1.994 20 0 CAADLO C[C@@H](NC(=O)Cn1nnc(N)n1)[C@H]1CN(C)CC[N@@H+]1C ZINC001361980714 886511788 /nfs/dbraw/zinc/51/17/88/886511788.db2.gz MILCQLUJKYAVBY-RKDXNWHRSA-N 1 2 282.352 -1.994 20 0 CAADLO C[C@@H](NC(=O)Cn1nnc(N)n1)[C@H]1CN(C)CC[N@H+]1C ZINC001361980714 886511795 /nfs/dbraw/zinc/51/17/95/886511795.db2.gz MILCQLUJKYAVBY-RKDXNWHRSA-N 1 2 282.352 -1.994 20 0 CAADLO C[C@H](NC(=O)Cn1nnc(N)n1)[C@H]1CN(C)CC[N@@H+]1C ZINC001361980705 886511922 /nfs/dbraw/zinc/51/19/22/886511922.db2.gz MILCQLUJKYAVBY-DTWKUNHWSA-N 1 2 282.352 -1.994 20 0 CAADLO C[C@H](NC(=O)Cn1nnc(N)n1)[C@H]1CN(C)CC[N@H+]1C ZINC001361980705 886511929 /nfs/dbraw/zinc/51/19/29/886511929.db2.gz MILCQLUJKYAVBY-DTWKUNHWSA-N 1 2 282.352 -1.994 20 0 CAADLO Cc1cc(NC(=O)[C@@H](C)NC(=O)Cn2cnnn2)cc[nH+]1 ZINC001361970959 886511947 /nfs/dbraw/zinc/51/19/47/886511947.db2.gz ZFJCXKWVCWYXQQ-SECBINFHSA-N 1 2 289.299 -1.058 20 0 CAADLO NS(=O)(=O)c1cnn(CC(=O)NCCc2[nH]cc[nH+]2)c1 ZINC001361977659 886512524 /nfs/dbraw/zinc/51/25/24/886512524.db2.gz DMJYKMHLGNGJQP-UHFFFAOYSA-N 1 2 298.328 -1.388 20 0 CAADLO NC(=O)CN(CC(N)=O)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001362034733 886518729 /nfs/dbraw/zinc/51/87/29/886518729.db2.gz CSGDKHAAWQNTDC-MRVPVSSYSA-N 1 2 279.300 -1.755 20 0 CAADLO CNC(=O)C[NH+]1CCC(NC(=O)CCc2nn[nH]n2)CC1 ZINC001362027638 886520250 /nfs/dbraw/zinc/52/02/50/886520250.db2.gz DBZXBHPQVOHAQA-UHFFFAOYSA-N 1 2 295.347 -1.541 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@@H](NC(=O)CN2CCOC2=O)C1 ZINC001362053812 886523813 /nfs/dbraw/zinc/52/38/13/886523813.db2.gz MAJNEEYOMUSFSG-SECBINFHSA-N 1 2 284.316 -1.496 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@@H](NC(=O)CN2CCOC2=O)C1 ZINC001362053812 886523827 /nfs/dbraw/zinc/52/38/27/886523827.db2.gz MAJNEEYOMUSFSG-SECBINFHSA-N 1 2 284.316 -1.496 20 0 CAADLO CC(C)[C@H](NC(N)=O)C(=O)N1CCC[N@H+](CC(N)=O)CC1 ZINC001362056504 886527634 /nfs/dbraw/zinc/52/76/34/886527634.db2.gz JAXWSZHAZCHTQV-NSHDSACASA-N 1 2 299.375 -1.301 20 0 CAADLO CC(C)[C@H](NC(N)=O)C(=O)N1CCC[N@@H+](CC(N)=O)CC1 ZINC001362056504 886527641 /nfs/dbraw/zinc/52/76/41/886527641.db2.gz JAXWSZHAZCHTQV-NSHDSACASA-N 1 2 299.375 -1.301 20 0 CAADLO CCOC(=O)CN(CC(N)=O)C(=O)[C@@H]1CC[N@@H+]1CC ZINC001362159059 886547172 /nfs/dbraw/zinc/54/71/72/886547172.db2.gz HVNFEVUKBLLGKJ-VIFPVBQESA-N 1 2 271.317 -1.042 20 0 CAADLO CCOC(=O)CN(CC(N)=O)C(=O)[C@@H]1CC[N@H+]1CC ZINC001362159059 886547183 /nfs/dbraw/zinc/54/71/83/886547183.db2.gz HVNFEVUKBLLGKJ-VIFPVBQESA-N 1 2 271.317 -1.042 20 0 CAADLO COC(=O)C[C@H](C)[NH+]1CCN(C(=O)C2(O)COC2)CC1 ZINC001362214464 886557103 /nfs/dbraw/zinc/55/71/03/886557103.db2.gz SGUODAACOHTXDT-JTQLQIEISA-N 1 2 286.328 -1.157 20 0 CAADLO COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)C2(O)COC2)CC1 ZINC001362214499 886557990 /nfs/dbraw/zinc/55/79/90/886557990.db2.gz SGUODAACOHTXDT-SNVBAGLBSA-N 1 2 286.328 -1.157 20 0 CAADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C1(O)COC1 ZINC001362202142 886558302 /nfs/dbraw/zinc/55/83/02/886558302.db2.gz GAGOKWHTYWBIHE-SNVBAGLBSA-N 1 2 274.317 -2.101 20 0 CAADLO C[C@@H](NC(=O)Cn1cnc(N)n1)[C@H]1CN(C)CC[N@@H+]1C ZINC001362238674 886565389 /nfs/dbraw/zinc/56/53/89/886565389.db2.gz YUOHSCAZDWMTIL-NXEZZACHSA-N 1 2 281.364 -1.389 20 0 CAADLO C[C@@H](NC(=O)Cn1cnc(N)n1)[C@H]1CN(C)CC[N@H+]1C ZINC001362238674 886565394 /nfs/dbraw/zinc/56/53/94/886565394.db2.gz YUOHSCAZDWMTIL-NXEZZACHSA-N 1 2 281.364 -1.389 20 0 CAADLO NC(=O)N[C@H](CO)C(=O)N1CC(Oc2cc[nH+]cc2)C1 ZINC001362239295 886565618 /nfs/dbraw/zinc/56/56/18/886565618.db2.gz OFYQSWTXWXFKEK-SNVBAGLBSA-N 1 2 280.284 -1.300 20 0 CAADLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)[C@H](CO)NC(N)=O ZINC001362262855 886571749 /nfs/dbraw/zinc/57/17/49/886571749.db2.gz NRBVJHLJRCFSFY-ZJUUUORDSA-N 1 2 287.364 -2.232 20 0 CAADLO CNS(=O)(=O)NCC(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC001362328514 886587153 /nfs/dbraw/zinc/58/71/53/886587153.db2.gz NIKQLJRLPCCTNF-VIFPVBQESA-N 1 2 289.361 -1.311 20 0 CAADLO COC(=O)CNC(=O)CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001362406226 886607310 /nfs/dbraw/zinc/60/73/10/886607310.db2.gz ZTOIAENCMQYRMY-HTQZYQBOSA-N 1 2 280.284 -1.081 20 0 CAADLO COC(=O)CNC(=O)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001362406226 886607317 /nfs/dbraw/zinc/60/73/17/886607317.db2.gz ZTOIAENCMQYRMY-HTQZYQBOSA-N 1 2 280.284 -1.081 20 0 CAADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CCNC(=O)CO ZINC001362418288 886611465 /nfs/dbraw/zinc/61/14/65/886611465.db2.gz CXUAKDAOHSKXSW-VIFPVBQESA-N 1 2 298.299 -1.891 20 0 CAADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CCNC(=O)CO ZINC001362418288 886611474 /nfs/dbraw/zinc/61/14/74/886611474.db2.gz CXUAKDAOHSKXSW-VIFPVBQESA-N 1 2 298.299 -1.891 20 0 CAADLO Nc1nnn(CC(=O)N2CCC[C@@H]([NH+]3CCOCC3)C2)n1 ZINC001362452816 886616716 /nfs/dbraw/zinc/61/67/16/886616716.db2.gz FKXHYFLXNHGWTE-SNVBAGLBSA-N 1 2 295.347 -1.422 20 0 CAADLO CC[NH+](CC)CC(=O)NC[C@@]1(O)CCS(=O)(=O)C1 ZINC001362456283 886621039 /nfs/dbraw/zinc/62/10/39/886621039.db2.gz VAGNPOBUPKXISM-NSHDSACASA-N 1 2 278.374 -1.006 20 0 CAADLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)Cn1nnc(N)n1 ZINC001362478337 886624310 /nfs/dbraw/zinc/62/43/10/886624310.db2.gz HPCHJAAWPNPAAQ-SECBINFHSA-N 1 2 283.336 -1.566 20 0 CAADLO O=C(N[C@H]1Cc2c[nH+]cn2C1)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001362473108 886624530 /nfs/dbraw/zinc/62/45/30/886624530.db2.gz FQDSUOZOKMXOEU-CBAPKCEASA-N 1 2 298.324 -2.163 20 0 CAADLO CC(=O)NCC(=O)NCC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC001362522500 886636158 /nfs/dbraw/zinc/63/61/58/886636158.db2.gz SJFLKNVXGWHNEI-JTQLQIEISA-N 1 2 293.327 -1.434 20 0 CAADLO NS(=O)(=O)CCCC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC001362609559 886655537 /nfs/dbraw/zinc/65/55/37/886655537.db2.gz HWGQQUNPUKEYPV-MRVPVSSYSA-N 1 2 272.330 -1.007 20 0 CAADLO NS(=O)(=O)CCCC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC001362609563 886656344 /nfs/dbraw/zinc/65/63/44/886656344.db2.gz HWGQQUNPUKEYPV-QMMMGPOBSA-N 1 2 272.330 -1.007 20 0 CAADLO Cn1c[nH+]c(CCNC(=O)c2c[nH]nc2S(N)(=O)=O)c1 ZINC001362699188 886679636 /nfs/dbraw/zinc/67/96/36/886679636.db2.gz ZEPLNPVHXQPRIS-UHFFFAOYSA-N 1 2 298.328 -1.237 20 0 CAADLO NC(=O)[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1C(N)=O ZINC001362701108 886680430 /nfs/dbraw/zinc/68/04/30/886680430.db2.gz CZAAUARUZHQMLS-RKDXNWHRSA-N 1 2 279.300 -1.613 20 0 CAADLO NC(=O)[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1C(N)=O ZINC001362701108 886680438 /nfs/dbraw/zinc/68/04/38/886680438.db2.gz CZAAUARUZHQMLS-RKDXNWHRSA-N 1 2 279.300 -1.613 20 0 CAADLO Cn1c[nH+]cc1[C@H](CO)NC(=O)CN1CCC(=O)NC1=O ZINC001362719953 886685042 /nfs/dbraw/zinc/68/50/42/886685042.db2.gz OJQRNJFOYYDKJJ-QMMMGPOBSA-N 1 2 295.299 -1.488 20 0 CAADLO C[C@H](NS(C)(=O)=O)C(=O)N[C@H](CO)c1c[nH+]cn1C ZINC001362717476 886685628 /nfs/dbraw/zinc/68/56/28/886685628.db2.gz HLSDXXHXJVNTEP-JGVFFNPUSA-N 1 2 290.345 -1.493 20 0 CAADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC(NS(N)(=O)=O)C1 ZINC001362731408 886690685 /nfs/dbraw/zinc/69/06/85/886690685.db2.gz XIKPRBCAOGWTTK-SSDOTTSWSA-N 1 2 287.345 -1.408 20 0 CAADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC(NS(N)(=O)=O)C1 ZINC001362731408 886690690 /nfs/dbraw/zinc/69/06/90/886690690.db2.gz XIKPRBCAOGWTTK-SSDOTTSWSA-N 1 2 287.345 -1.408 20 0 CAADLO O=C([C@@H]1CC(=O)NC(=O)N1)N1CC[NH2+][C@@H](c2cn[nH]c2)C1 ZINC001362734391 886690814 /nfs/dbraw/zinc/69/08/14/886690814.db2.gz ATKZOMPNBZVOOO-DTWKUNHWSA-N 1 2 292.299 -1.519 20 0 CAADLO COc1c(=O)[nH]c(=O)[nH]c1C(=O)N1CC[N@H+](C)[C@@H](CO)C1 ZINC001362771806 886701766 /nfs/dbraw/zinc/70/17/66/886701766.db2.gz RMZYOHIELBGTRT-SSDOTTSWSA-N 1 2 298.299 -1.355 20 0 CAADLO COc1c(=O)[nH]c(=O)[nH]c1C(=O)N1CC[N@@H+](C)[C@@H](CO)C1 ZINC001362771806 886701782 /nfs/dbraw/zinc/70/17/82/886701782.db2.gz RMZYOHIELBGTRT-SSDOTTSWSA-N 1 2 298.299 -1.355 20 0 CAADLO O=C(NC[C@@]1(CO)COCC[NH2+]1)[C@H]1CCCc2n[nH]nc21 ZINC001362776234 886703742 /nfs/dbraw/zinc/70/37/42/886703742.db2.gz PCGUNQYWYYKBMV-TVQRCGJNSA-N 1 2 295.343 -1.308 20 0 CAADLO C[N@@H+]1C[C@@H](O)C[C@@]1(C)C(=O)N[C@H](CO)Cc1cnc[nH]1 ZINC001362794513 886708621 /nfs/dbraw/zinc/70/86/21/886708621.db2.gz HYYDTAKQZXDDDS-GVXVVHGQSA-N 1 2 282.344 -1.116 20 0 CAADLO C[N@H+]1C[C@@H](O)C[C@@]1(C)C(=O)N[C@H](CO)Cc1cnc[nH]1 ZINC001362794513 886708628 /nfs/dbraw/zinc/70/86/28/886708628.db2.gz HYYDTAKQZXDDDS-GVXVVHGQSA-N 1 2 282.344 -1.116 20 0 CAADLO C[N@@H+]1C[C@@H](O)C[C@]1(C)C(=O)N[C@H](CO)Cc1cnc[nH]1 ZINC001362794511 886709219 /nfs/dbraw/zinc/70/92/19/886709219.db2.gz HYYDTAKQZXDDDS-GMXVVIOVSA-N 1 2 282.344 -1.116 20 0 CAADLO C[N@H+]1C[C@@H](O)C[C@]1(C)C(=O)N[C@H](CO)Cc1cnc[nH]1 ZINC001362794511 886709232 /nfs/dbraw/zinc/70/92/32/886709232.db2.gz HYYDTAKQZXDDDS-GMXVVIOVSA-N 1 2 282.344 -1.116 20 0 CAADLO C[C@@H](C(=O)N[C@H](CO)Cc1c[nH+]c[nH]1)S(C)(=O)=O ZINC001362795871 886710745 /nfs/dbraw/zinc/71/07/45/886710745.db2.gz OZBSXJPCRXKMQZ-CBAPKCEASA-N 1 2 275.330 -1.138 20 0 CAADLO C[C@@H](C(=O)N[C@H](CO)Cc1c[nH]c[nH+]1)S(C)(=O)=O ZINC001362795871 886710734 /nfs/dbraw/zinc/71/07/34/886710734.db2.gz OZBSXJPCRXKMQZ-CBAPKCEASA-N 1 2 275.330 -1.138 20 0 CAADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CO[C@@H]1CCOC1 ZINC001362833577 886722675 /nfs/dbraw/zinc/72/26/75/886722675.db2.gz PEIJYWUTVGMTJR-MNOVXSKESA-N 1 2 296.327 -1.012 20 0 CAADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CO[C@@H]1CCOC1 ZINC001362833577 886722694 /nfs/dbraw/zinc/72/26/94/886722694.db2.gz PEIJYWUTVGMTJR-MNOVXSKESA-N 1 2 296.327 -1.012 20 0 CAADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CO[C@H]1CCOC1 ZINC001362833579 886723126 /nfs/dbraw/zinc/72/31/26/886723126.db2.gz PEIJYWUTVGMTJR-QWRGUYRKSA-N 1 2 296.327 -1.012 20 0 CAADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CO[C@H]1CCOC1 ZINC001362833579 886723139 /nfs/dbraw/zinc/72/31/39/886723139.db2.gz PEIJYWUTVGMTJR-QWRGUYRKSA-N 1 2 296.327 -1.012 20 0 CAADLO CN1CCn2c(CNC(=O)Cc3[nH]cc[nH+]3)nnc2C1=O ZINC001362858455 886730605 /nfs/dbraw/zinc/73/06/05/886730605.db2.gz KDYWTBCEGDNZLL-UHFFFAOYSA-N 1 2 289.299 -1.054 20 0 CAADLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)Cn1nnc(N)n1 ZINC001362895043 886737475 /nfs/dbraw/zinc/73/74/75/886737475.db2.gz PBLGAUAEPUSKEC-UWVGGRQHSA-N 1 2 295.347 -1.423 20 0 CAADLO CNC(=O)C[N@@H+]1CCCN(C(=O)c2ns[nH]c2=O)CC1 ZINC001362947185 886751065 /nfs/dbraw/zinc/75/10/65/886751065.db2.gz WHINJLALJBPCRW-UHFFFAOYSA-N 1 2 299.356 -1.275 20 0 CAADLO CNC(=O)C[N@H+]1CCCN(C(=O)c2ns[nH]c2=O)CC1 ZINC001362947185 886751081 /nfs/dbraw/zinc/75/10/81/886751081.db2.gz WHINJLALJBPCRW-UHFFFAOYSA-N 1 2 299.356 -1.275 20 0 CAADLO CNC(=O)NCC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC001362969671 886756079 /nfs/dbraw/zinc/75/60/79/886756079.db2.gz VQIPPONURLHQGV-AOOOYVTPSA-N 1 2 270.333 -1.105 20 0 CAADLO CNC(=O)NCC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC001362969671 886756087 /nfs/dbraw/zinc/75/60/87/886756087.db2.gz VQIPPONURLHQGV-AOOOYVTPSA-N 1 2 270.333 -1.105 20 0 CAADLO C[N@@H+]1CCO[C@H](C(=O)N2CCC[C@@H](CO)[C@H]2CO)C1 ZINC001362968326 886757791 /nfs/dbraw/zinc/75/77/91/886757791.db2.gz LJXZQJORPXKXDQ-TUAOUCFPSA-N 1 2 272.345 -1.091 20 0 CAADLO C[N@H+]1CCO[C@H](C(=O)N2CCC[C@@H](CO)[C@H]2CO)C1 ZINC001362968326 886757796 /nfs/dbraw/zinc/75/77/96/886757796.db2.gz LJXZQJORPXKXDQ-TUAOUCFPSA-N 1 2 272.345 -1.091 20 0 CAADLO COC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H](O)C(C)(C)O ZINC001362988149 886760615 /nfs/dbraw/zinc/76/06/15/886760615.db2.gz QWOMQFQLMKYIQD-BDAKNGLRSA-N 1 2 285.300 -1.258 20 0 CAADLO COC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H](O)C(C)(C)O ZINC001362988149 886760624 /nfs/dbraw/zinc/76/06/24/886760624.db2.gz QWOMQFQLMKYIQD-BDAKNGLRSA-N 1 2 285.300 -1.258 20 0 CAADLO Nc1ncn(CC(=O)NCC[N@@H+]2CCC3(C2)OCCO3)n1 ZINC001362997314 886764744 /nfs/dbraw/zinc/76/47/44/886764744.db2.gz HGCWAMDSMFNZTP-UHFFFAOYSA-N 1 2 296.331 -1.575 20 0 CAADLO Nc1ncn(CC(=O)NCC[N@H+]2CCC3(C2)OCCO3)n1 ZINC001362997314 886764750 /nfs/dbraw/zinc/76/47/50/886764750.db2.gz HGCWAMDSMFNZTP-UHFFFAOYSA-N 1 2 296.331 -1.575 20 0 CAADLO C[C@H]1C[N@H+](CCO)CCN1C(=O)CC1C(=O)N=CNC1=O ZINC001363030189 886772666 /nfs/dbraw/zinc/77/26/66/886772666.db2.gz IHUWUVZKLNHEFS-VIFPVBQESA-N 1 2 296.327 -1.045 20 0 CAADLO C[C@H]1C[N@@H+](CCO)CCN1C(=O)CC1C(=O)N=CNC1=O ZINC001363030189 886772679 /nfs/dbraw/zinc/77/26/79/886772679.db2.gz IHUWUVZKLNHEFS-VIFPVBQESA-N 1 2 296.327 -1.045 20 0 CAADLO C[C@@H]1C[N@H+](CCO)CCN1C(=O)CC1C(=O)N=CNC1=O ZINC001363030187 886773578 /nfs/dbraw/zinc/77/35/78/886773578.db2.gz IHUWUVZKLNHEFS-SECBINFHSA-N 1 2 296.327 -1.045 20 0 CAADLO C[C@@H]1C[N@@H+](CCO)CCN1C(=O)CC1C(=O)N=CNC1=O ZINC001363030187 886773593 /nfs/dbraw/zinc/77/35/93/886773593.db2.gz IHUWUVZKLNHEFS-SECBINFHSA-N 1 2 296.327 -1.045 20 0 CAADLO CC[N@@H+]1CC[C@H]1C(=O)N1CC(=O)N(C)C[C@@H]1C(=O)OC ZINC001363043035 886776556 /nfs/dbraw/zinc/77/65/56/886776556.db2.gz VIRKKIPCAORSGH-VHSXEESVSA-N 1 2 283.328 -1.077 20 0 CAADLO CC[N@H+]1CC[C@H]1C(=O)N1CC(=O)N(C)C[C@@H]1C(=O)OC ZINC001363043035 886776569 /nfs/dbraw/zinc/77/65/69/886776569.db2.gz VIRKKIPCAORSGH-VHSXEESVSA-N 1 2 283.328 -1.077 20 0 CAADLO CC(=O)N[C@@H](CC(=O)N[C@H]1CCn2c[nH+]cc21)C(N)=O ZINC001363045413 886776807 /nfs/dbraw/zinc/77/68/07/886776807.db2.gz GBMAYLVLHDIONF-IUCAKERBSA-N 1 2 279.300 -1.176 20 0 CAADLO C[N@@H+]1CCN(C(=O)c2cnn(C[C@H](O)CO)c2)[C@@H](CO)C1 ZINC001363039229 886777091 /nfs/dbraw/zinc/77/70/91/886777091.db2.gz IYNGUHYMBYADIF-NEPJUHHUSA-N 1 2 298.343 -2.015 20 0 CAADLO C[N@H+]1CCN(C(=O)c2cnn(C[C@H](O)CO)c2)[C@@H](CO)C1 ZINC001363039229 886777094 /nfs/dbraw/zinc/77/70/94/886777094.db2.gz IYNGUHYMBYADIF-NEPJUHHUSA-N 1 2 298.343 -2.015 20 0 CAADLO Cn1c[nH+]cc1[C@H](CO)NC(=O)c1ccc(=O)n(C)n1 ZINC001363047266 886779096 /nfs/dbraw/zinc/77/90/96/886779096.db2.gz FWWPXRJTYRWRRX-VIFPVBQESA-N 1 2 277.284 -1.023 20 0 CAADLO NC(=O)c1ncn(CC(=O)N[C@H]2CCn3c[nH+]cc32)n1 ZINC001363048705 886779766 /nfs/dbraw/zinc/77/97/66/886779766.db2.gz MLTCZDKDXIETLT-ZETCQYMHSA-N 1 2 275.272 -1.165 20 0 CAADLO C[C@H](CC(=O)N1C[C@H](C(N)=O)[C@@H](C(N)=O)C1)n1cc[nH+]c1 ZINC001363052420 886779850 /nfs/dbraw/zinc/77/98/50/886779850.db2.gz UEESQFWIUPWRJP-UTLUCORTSA-N 1 2 293.327 -1.121 20 0 CAADLO C[C@@H](CC(=O)N1C[C@H](C(N)=O)[C@H](C(N)=O)C1)n1cc[nH+]c1 ZINC001363052416 886779932 /nfs/dbraw/zinc/77/99/32/886779932.db2.gz UEESQFWIUPWRJP-LPEHRKFASA-N 1 2 293.327 -1.121 20 0 CAADLO NC(=O)c1ncn(CC(=O)N[C@@H]2CCn3c[nH+]cc32)n1 ZINC001363048702 886779968 /nfs/dbraw/zinc/77/99/68/886779968.db2.gz MLTCZDKDXIETLT-SSDOTTSWSA-N 1 2 275.272 -1.165 20 0 CAADLO Cc1nn(CC(=O)N[C@@H](CO)c2c[nH+]cn2C)c(=O)n1C ZINC001363137413 886802148 /nfs/dbraw/zinc/80/21/48/886802148.db2.gz BBGXSMQUZYKJAG-VIFPVBQESA-N 1 2 294.315 -1.526 20 0 CAADLO Cn1c[nH+]cc1CC(=O)N1C[C@@H](C(N)=O)[C@H](C(N)=O)C1 ZINC001363143290 886804660 /nfs/dbraw/zinc/80/46/60/886804660.db2.gz MHHMWPGZNWQGKN-RKDXNWHRSA-N 1 2 279.300 -1.992 20 0 CAADLO Cn1c[nH+]cc1CC(=O)N1C[C@H](C(N)=O)[C@H](C(N)=O)C1 ZINC001363143274 886805528 /nfs/dbraw/zinc/80/55/28/886805528.db2.gz MHHMWPGZNWQGKN-DTORHVGOSA-N 1 2 279.300 -1.992 20 0 CAADLO Cn1cc[nH+]c1CCC(=O)N[C@@H]1CS(=O)(=O)C[C@H]1O ZINC001363185673 886820935 /nfs/dbraw/zinc/82/09/35/886820935.db2.gz FTWAEVDCTOBRGY-RKDXNWHRSA-N 1 2 287.341 -1.373 20 0 CAADLO O=C(N[C@H](CO)Cc1c[nH]c[nH+]1)[C@H]1CCS(=O)(=O)C1 ZINC001363195096 886822102 /nfs/dbraw/zinc/82/21/02/886822102.db2.gz LIWHFAAUUGBYMY-WPRPVWTQSA-N 1 2 287.341 -1.136 20 0 CAADLO O=C(N[C@H](CO)Cc1c[nH+]c[nH]1)[C@H]1CCS(=O)(=O)C1 ZINC001363195096 886822127 /nfs/dbraw/zinc/82/21/27/886822127.db2.gz LIWHFAAUUGBYMY-WPRPVWTQSA-N 1 2 287.341 -1.136 20 0 CAADLO CCOC(=O)C[C@@H](O)C(=O)N[C@H](CO)Cc1c[nH]c[nH+]1 ZINC001363194712 886822195 /nfs/dbraw/zinc/82/21/95/886822195.db2.gz GPXVIZWDYWPNRK-VHSXEESVSA-N 1 2 285.300 -1.257 20 0 CAADLO CCOC(=O)C[C@@H](O)C(=O)N[C@H](CO)Cc1c[nH+]c[nH]1 ZINC001363194712 886822216 /nfs/dbraw/zinc/82/22/16/886822216.db2.gz GPXVIZWDYWPNRK-VHSXEESVSA-N 1 2 285.300 -1.257 20 0 CAADLO Cn1cc([C@H](O)C(=O)N[C@H](CO)Cc2c[nH]c[nH+]2)cn1 ZINC001363193433 886822390 /nfs/dbraw/zinc/82/23/90/886822390.db2.gz ADXPNLUTCHYKRM-QWRGUYRKSA-N 1 2 279.300 -1.104 20 0 CAADLO Cn1cc([C@H](O)C(=O)N[C@H](CO)Cc2c[nH+]c[nH]2)cn1 ZINC001363193433 886822405 /nfs/dbraw/zinc/82/24/05/886822405.db2.gz ADXPNLUTCHYKRM-QWRGUYRKSA-N 1 2 279.300 -1.104 20 0 CAADLO NS(=O)(=O)C1(C(=O)N2CC[NH2+][C@H](c3cn[nH]c3)C2)CC1 ZINC001363193608 886824854 /nfs/dbraw/zinc/82/48/54/886824854.db2.gz AAJILGXSMGRCDD-VIFPVBQESA-N 1 2 299.356 -1.296 20 0 CAADLO NS(=O)(=O)[C@H]1CC[N@H+](C[C@H]2CCS(=O)(=O)C2)C1 ZINC001363213296 886830848 /nfs/dbraw/zinc/83/08/48/886830848.db2.gz VEKHLDJOUAFRRV-BDAKNGLRSA-N 1 2 282.387 -1.216 20 0 CAADLO NS(=O)(=O)[C@H]1CC[N@@H+](C[C@H]2CCS(=O)(=O)C2)C1 ZINC001363213296 886830864 /nfs/dbraw/zinc/83/08/64/886830864.db2.gz VEKHLDJOUAFRRV-BDAKNGLRSA-N 1 2 282.387 -1.216 20 0 CAADLO Nc1nnn(CC(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)n1 ZINC001363218668 886832055 /nfs/dbraw/zinc/83/20/55/886832055.db2.gz NGODPFKSQWEVGY-SECBINFHSA-N 1 2 281.320 -1.812 20 0 CAADLO COC[C@@H](O)C[NH+]1CCN(S(=O)(=O)NC(C)C)CC1 ZINC001363235778 886834199 /nfs/dbraw/zinc/83/41/99/886834199.db2.gz MTRGOJBRQVINMT-NSHDSACASA-N 1 2 295.405 -1.146 20 0 CAADLO CNC(=O)[C@@H]1CC[N@H+](Cc2nnc3c(=O)[nH]ccn23)C1 ZINC001363259188 886845360 /nfs/dbraw/zinc/84/53/60/886845360.db2.gz NFUXSGQKQOLGHA-MRVPVSSYSA-N 1 2 276.300 -1.015 20 0 CAADLO CNC(=O)[C@@H]1CC[N@@H+](Cc2nnc3c(=O)[nH]ccn23)C1 ZINC001363259188 886845374 /nfs/dbraw/zinc/84/53/74/886845374.db2.gz NFUXSGQKQOLGHA-MRVPVSSYSA-N 1 2 276.300 -1.015 20 0 CAADLO CNC(=O)Cc1noc(C[NH+]2C[C@@H](CO)[C@H](CO)C2)n1 ZINC001363263883 886846433 /nfs/dbraw/zinc/84/64/33/886846433.db2.gz AEGIBQYVUBCMPW-IUCAKERBSA-N 1 2 284.316 -1.609 20 0 CAADLO CNC(=O)Cc1noc(C[N@@H+]2C[C@H](O)C[C@@H]2COC)n1 ZINC001363267489 886850723 /nfs/dbraw/zinc/85/07/23/886850723.db2.gz GZLZEWKNBLHWCN-RKDXNWHRSA-N 1 2 284.316 -1.060 20 0 CAADLO CNC(=O)Cc1noc(C[N@H+]2C[C@H](O)C[C@@H]2COC)n1 ZINC001363267489 886850732 /nfs/dbraw/zinc/85/07/32/886850732.db2.gz GZLZEWKNBLHWCN-RKDXNWHRSA-N 1 2 284.316 -1.060 20 0 CAADLO C[C@H]1C[N@H+](CCO)CCN1C(=O)c1cn(CC(N)=O)nn1 ZINC001363285738 886854345 /nfs/dbraw/zinc/85/43/45/886854345.db2.gz ABFZLIHJTPSREK-VIFPVBQESA-N 1 2 296.331 -2.098 20 0 CAADLO C[C@H]1C[N@@H+](CCO)CCN1C(=O)c1cn(CC(N)=O)nn1 ZINC001363285738 886854365 /nfs/dbraw/zinc/85/43/65/886854365.db2.gz ABFZLIHJTPSREK-VIFPVBQESA-N 1 2 296.331 -2.098 20 0 CAADLO COC(=O)CNC(=O)[C@@H](C)[N@@H+]1CC[C@H](c2nn[nH]n2)C1 ZINC001363288784 886857640 /nfs/dbraw/zinc/85/76/40/886857640.db2.gz AUBGQDFMWOKREB-SFYZADRCSA-N 1 2 282.304 -1.333 20 0 CAADLO COC(=O)CNC(=O)[C@@H](C)[N@H+]1CC[C@H](c2nn[nH]n2)C1 ZINC001363288784 886857655 /nfs/dbraw/zinc/85/76/55/886857655.db2.gz AUBGQDFMWOKREB-SFYZADRCSA-N 1 2 282.304 -1.333 20 0 CAADLO NC(=O)c1ncn(CC(=O)N[C@@H]2Cc3c[nH+]cn3C2)n1 ZINC001363300394 886862355 /nfs/dbraw/zinc/86/23/55/886862355.db2.gz UHHSFTJDQXQZRM-SSDOTTSWSA-N 1 2 275.272 -1.685 20 0 CAADLO Cc1nnc(CC[N@@H+]2CCN3[C@H](CNS3(=O)=O)C2)o1 ZINC001363327803 886868550 /nfs/dbraw/zinc/86/85/50/886868550.db2.gz OBJVFLUXBRUHIK-SECBINFHSA-N 1 2 287.345 -1.245 20 0 CAADLO Cc1nnc(CC[N@H+]2CCN3[C@H](CNS3(=O)=O)C2)o1 ZINC001363327803 886868566 /nfs/dbraw/zinc/86/85/66/886868566.db2.gz OBJVFLUXBRUHIK-SECBINFHSA-N 1 2 287.345 -1.245 20 0 CAADLO Cc1nnc(CC[N@@H+]2CCN3[C@@H](CNS3(=O)=O)C2)o1 ZINC001363327862 886868660 /nfs/dbraw/zinc/86/86/60/886868660.db2.gz OBJVFLUXBRUHIK-VIFPVBQESA-N 1 2 287.345 -1.245 20 0 CAADLO Cc1nnc(CC[N@H+]2CCN3[C@@H](CNS3(=O)=O)C2)o1 ZINC001363327862 886868676 /nfs/dbraw/zinc/86/86/76/886868676.db2.gz OBJVFLUXBRUHIK-VIFPVBQESA-N 1 2 287.345 -1.245 20 0 CAADLO O=C(CCc1[nH]cc[nH+]1)NCc1nnc2n1CCNC2=O ZINC001363321684 886868793 /nfs/dbraw/zinc/86/87/93/886868793.db2.gz JYLBICWRLNZGMV-UHFFFAOYSA-N 1 2 289.299 -1.006 20 0 CAADLO CN1CC[NH+](CC2CN(C(=O)CCc3nn[nH]n3)C2)CC1 ZINC001363335797 886874810 /nfs/dbraw/zinc/87/48/10/886874810.db2.gz CJISAKFDWUPEHO-UHFFFAOYSA-N 1 2 293.375 -1.162 20 0 CAADLO CNS(=O)(=O)CC[N@@H+]1CCN2CCOC[C@]2(CO)C1 ZINC001363334623 886875199 /nfs/dbraw/zinc/87/51/99/886875199.db2.gz UPXDXEPJUXANKM-LLVKDONJSA-N 1 2 293.389 -2.086 20 0 CAADLO CNS(=O)(=O)CC[N@H+]1CCN2CCOC[C@]2(CO)C1 ZINC001363334623 886875215 /nfs/dbraw/zinc/87/52/15/886875215.db2.gz UPXDXEPJUXANKM-LLVKDONJSA-N 1 2 293.389 -2.086 20 0 CAADLO Cn1c[nH+]cc1[C@H](CO)NC(=O)C1(n2cnnn2)CC1 ZINC001363329706 886875283 /nfs/dbraw/zinc/87/52/83/886875283.db2.gz UWSOEMDTAUXGFG-QMMMGPOBSA-N 1 2 277.288 -1.255 20 0 CAADLO CN(C)c1nc(N)nc(C[N@@H+]2C[C@@H](CO)[C@H](CCO)C2)n1 ZINC001363334773 886875904 /nfs/dbraw/zinc/87/59/04/886875904.db2.gz SWWWGBGYSVPWDN-ZJUUUORDSA-N 1 2 296.375 -1.058 20 0 CAADLO CN(C)c1nc(N)nc(C[N@H+]2C[C@@H](CO)[C@H](CCO)C2)n1 ZINC001363334773 886875919 /nfs/dbraw/zinc/87/59/19/886875919.db2.gz SWWWGBGYSVPWDN-ZJUUUORDSA-N 1 2 296.375 -1.058 20 0 CAADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CNC(=O)C1CC1 ZINC001363352854 886877809 /nfs/dbraw/zinc/87/78/09/886877809.db2.gz CBMMWDVXRYLRCG-JTQLQIEISA-N 1 2 293.327 -1.291 20 0 CAADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CNC(=O)C1CC1 ZINC001363352854 886877831 /nfs/dbraw/zinc/87/78/31/886877831.db2.gz CBMMWDVXRYLRCG-JTQLQIEISA-N 1 2 293.327 -1.291 20 0 CAADLO Cn1cc[nH+]c1CCNC(=O)C1(S(N)(=O)=O)CC1 ZINC001363343100 886877898 /nfs/dbraw/zinc/87/78/98/886877898.db2.gz NHPRFZXOJGCLAO-UHFFFAOYSA-N 1 2 272.330 -1.100 20 0 CAADLO C[C@@H](C(=O)N1CC(NS(N)(=O)=O)C1)n1cc[nH+]c1 ZINC001363353830 886878075 /nfs/dbraw/zinc/87/80/75/886878075.db2.gz AOLNMGVRLWGHFX-ZETCQYMHSA-N 1 2 273.318 -1.552 20 0 CAADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CCn1ccnn1 ZINC001363361947 886880582 /nfs/dbraw/zinc/88/05/82/886880582.db2.gz XQTGVJDNTSXYOE-JTQLQIEISA-N 1 2 291.315 -1.135 20 0 CAADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CCn1ccnn1 ZINC001363361947 886880600 /nfs/dbraw/zinc/88/06/00/886880600.db2.gz XQTGVJDNTSXYOE-JTQLQIEISA-N 1 2 291.315 -1.135 20 0 CAADLO C[C@H](CS(C)(=O)=O)[NH2+]Cc1cn(CC(N)=O)nn1 ZINC001363362685 886882065 /nfs/dbraw/zinc/88/20/65/886882065.db2.gz ZXWQGVYAFFBEQV-SSDOTTSWSA-N 1 2 275.334 -1.714 20 0 CAADLO NC(=O)CN1CCN(C(=O)CCCn2cc[nH+]c2)CC1=O ZINC001363427970 886899455 /nfs/dbraw/zinc/89/94/55/886899455.db2.gz GVXZQASVDVISPX-UHFFFAOYSA-N 1 2 293.327 -1.181 20 0 CAADLO NC(=O)CN1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1=O ZINC001363434899 886901615 /nfs/dbraw/zinc/90/16/15/886901615.db2.gz XJIBHDCWMFSCKW-UHFFFAOYSA-N 1 2 279.300 -1.502 20 0 CAADLO NC(=O)CN1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1=O ZINC001363434899 886901622 /nfs/dbraw/zinc/90/16/22/886901622.db2.gz XJIBHDCWMFSCKW-UHFFFAOYSA-N 1 2 279.300 -1.502 20 0 CAADLO Cn1c[nH+]cc1[C@H](CO)NC(=O)c1cn(C)c(=O)n1C ZINC001363489593 886915069 /nfs/dbraw/zinc/91/50/69/886915069.db2.gz LXQHSAREULIPQY-QMMMGPOBSA-N 1 2 279.300 -1.079 20 0 CAADLO C[C@H](NC(=O)Cn1cnnn1)C(=O)NCc1c[nH+]cn1C ZINC001363530228 886928061 /nfs/dbraw/zinc/92/80/61/886928061.db2.gz DHVSLCNELBPBOR-QMMMGPOBSA-N 1 2 292.303 -1.772 20 0 CAADLO CC(C)(CNS(N)(=O)=O)NC(=O)CCn1cc[nH+]c1 ZINC001363539048 886932220 /nfs/dbraw/zinc/93/22/20/886932220.db2.gz GDYMFJKSNSGRLR-UHFFFAOYSA-N 1 2 289.361 -1.039 20 0 CAADLO O=C(Cc1[nH]cc[nH+]1)N1CCS(=O)(=O)C[C@H]1CCO ZINC001363573341 886937483 /nfs/dbraw/zinc/93/74/83/886937483.db2.gz GECOEOPLSBEGJD-SECBINFHSA-N 1 2 287.341 -1.040 20 0 CAADLO COC[C@H](NC(=O)C[N@H+](C)[C@@H]1CCC[C@H]1O)c1nn[nH]n1 ZINC001363594654 886944066 /nfs/dbraw/zinc/94/40/66/886944066.db2.gz YAYYGSAXLBDEAZ-IVZWLZJFSA-N 1 2 298.347 -1.151 20 0 CAADLO COC[C@H](NC(=O)C[N@@H+](C)[C@@H]1CCC[C@H]1O)c1nn[nH]n1 ZINC001363594654 886944072 /nfs/dbraw/zinc/94/40/72/886944072.db2.gz YAYYGSAXLBDEAZ-IVZWLZJFSA-N 1 2 298.347 -1.151 20 0 CAADLO C[NH+](C)Cc1nc(CNC(=O)[C@H](CO)NC(N)=O)co1 ZINC001363631894 886950370 /nfs/dbraw/zinc/95/03/70/886950370.db2.gz NSOBTJBPZGZJIX-QMMMGPOBSA-N 1 2 285.304 -1.618 20 0 CAADLO Cn1c(CNC(=O)C[NH+]2CCC(CO)CC2)n[nH]c1=O ZINC001363633084 886954123 /nfs/dbraw/zinc/95/41/23/886954123.db2.gz NQOHETWEEQTWLN-UHFFFAOYSA-N 1 2 283.332 -1.159 20 0 CAADLO Cn1nc(C(=O)N[C@H](CO)Cc2c[nH]c[nH+]2)ccc1=O ZINC001363655350 886955851 /nfs/dbraw/zinc/95/58/51/886955851.db2.gz GDPBPGZHFMSNJN-VIFPVBQESA-N 1 2 277.284 -1.163 20 0 CAADLO Cn1nc(C(=O)N[C@H](CO)Cc2c[nH+]c[nH]2)ccc1=O ZINC001363655350 886955855 /nfs/dbraw/zinc/95/58/55/886955855.db2.gz GDPBPGZHFMSNJN-VIFPVBQESA-N 1 2 277.284 -1.163 20 0 CAADLO CCS(=O)(=O)NCC(=O)N[C@H](CO)Cc1c[nH]c[nH+]1 ZINC001363659502 886956526 /nfs/dbraw/zinc/95/65/26/886956526.db2.gz NEFQPHFPTBJXFT-VIFPVBQESA-N 1 2 290.345 -1.631 20 0 CAADLO CCS(=O)(=O)NCC(=O)N[C@H](CO)Cc1c[nH+]c[nH]1 ZINC001363659502 886956539 /nfs/dbraw/zinc/95/65/39/886956539.db2.gz NEFQPHFPTBJXFT-VIFPVBQESA-N 1 2 290.345 -1.631 20 0 CAADLO COC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@]1(O)CCOC1 ZINC001363676527 886958570 /nfs/dbraw/zinc/95/85/70/886958570.db2.gz REUHLZAZWWFCCH-BXKDBHETSA-N 1 2 283.284 -1.239 20 0 CAADLO COC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@]1(O)CCOC1 ZINC001363676527 886958579 /nfs/dbraw/zinc/95/85/79/886958579.db2.gz REUHLZAZWWFCCH-BXKDBHETSA-N 1 2 283.284 -1.239 20 0 CAADLO C[NH+]1CCN(C(=O)CNC(=O)CCCc2nn[nH]n2)CC1 ZINC001363688989 886962351 /nfs/dbraw/zinc/96/23/51/886962351.db2.gz KCIFTQVJTSGKDH-UHFFFAOYSA-N 1 2 295.347 -1.587 20 0 CAADLO CC(=O)c1cn(CC(=O)NC[C@H]2C[NH+]3CCN2CC3)nn1 ZINC001363704336 886962425 /nfs/dbraw/zinc/96/24/25/886962425.db2.gz DBMNKJZPJJMXDB-NSHDSACASA-N 1 2 292.343 -1.403 20 0 CAADLO CC(=O)c1cn(CC(=O)NC[C@@H]2C[NH+]3CCN2CC3)nn1 ZINC001363704331 886963276 /nfs/dbraw/zinc/96/32/76/886963276.db2.gz DBMNKJZPJJMXDB-LLVKDONJSA-N 1 2 292.343 -1.403 20 0 CAADLO COC(=O)[C@H](Cn1cncn1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001363713215 886965526 /nfs/dbraw/zinc/96/55/26/886965526.db2.gz WJTVHFOFVIGKDB-VIFPVBQESA-N 1 2 278.272 -1.098 20 0 CAADLO COC(=O)[C@@H](Cn1cncn1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001363713238 886965559 /nfs/dbraw/zinc/96/55/59/886965559.db2.gz WVQHIUYFKSGTAD-MRVPVSSYSA-N 1 2 278.272 -1.098 20 0 CAADLO COC(=O)[C@H](Cn1cncn1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001363713239 886967147 /nfs/dbraw/zinc/96/71/47/886967147.db2.gz WVQHIUYFKSGTAD-QMMMGPOBSA-N 1 2 278.272 -1.098 20 0 CAADLO CC[C@@H]1C(=O)NCCN1S(=O)(=O)N1CC[NH+](C)CC1 ZINC001363761539 886976165 /nfs/dbraw/zinc/97/61/65/886976165.db2.gz JCTHSBOFYYNHCA-SNVBAGLBSA-N 1 2 290.389 -1.311 20 0 CAADLO Cn1cc[nH+]c1CCC(=O)NC[C@H](O)CS(C)(=O)=O ZINC001363787241 886980355 /nfs/dbraw/zinc/98/03/55/886980355.db2.gz ZWVPKOUNQKWYMO-VIFPVBQESA-N 1 2 289.357 -1.126 20 0 CAADLO CNC(=O)CCC[N@H+](C)Cc1cc(=O)n2[nH]c(N)nc2n1 ZINC001363785437 886980864 /nfs/dbraw/zinc/98/08/64/886980864.db2.gz XIXAYQIDUZJHEF-UHFFFAOYSA-N 1 2 293.331 -1.042 20 0 CAADLO CNC(=O)CCC[N@@H+](C)Cc1cc(=O)n2[nH]c(N)nc2n1 ZINC001363785437 886980875 /nfs/dbraw/zinc/98/08/75/886980875.db2.gz XIXAYQIDUZJHEF-UHFFFAOYSA-N 1 2 293.331 -1.042 20 0 CAADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@]1(O)CCOC1 ZINC001363806355 886983497 /nfs/dbraw/zinc/98/34/97/886983497.db2.gz RQHPDMXWOPYJRT-CABZTGNLSA-N 1 2 282.300 -1.666 20 0 CAADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@]1(O)CCOC1 ZINC001363806355 886983510 /nfs/dbraw/zinc/98/35/10/886983510.db2.gz RQHPDMXWOPYJRT-CABZTGNLSA-N 1 2 282.300 -1.666 20 0 CAADLO CC(C)c1nnc(C[NH+]2C[C@H](C(N)=O)[C@@H](C(N)=O)C2)[nH]1 ZINC001363806854 886983716 /nfs/dbraw/zinc/98/37/16/886983716.db2.gz KWSSZZGNNKEIKL-YUMQZZPRSA-N 1 2 280.332 -1.053 20 0 CAADLO CNC(=O)[C@@H]([NH2+]Cc1cc(=O)n2[nH]c(N)nc2n1)C(C)C ZINC001363801361 886984515 /nfs/dbraw/zinc/98/45/15/886984515.db2.gz TZEJQUXDUMNIMQ-VIFPVBQESA-N 1 2 293.331 -1.140 20 0 CAADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H]1CN(C)C(=O)N1 ZINC001363799092 886985000 /nfs/dbraw/zinc/98/50/00/886985000.db2.gz GQLFYBWRRRORAY-DTWKUNHWSA-N 1 2 294.315 -1.793 20 0 CAADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H]1CN(C)C(=O)N1 ZINC001363799092 886985012 /nfs/dbraw/zinc/98/50/12/886985012.db2.gz GQLFYBWRRRORAY-DTWKUNHWSA-N 1 2 294.315 -1.793 20 0 CAADLO CNC(=O)C(C)(C)CNS(=O)(=O)N1CC[NH+](C)CC1 ZINC001363831886 886991350 /nfs/dbraw/zinc/99/13/50/886991350.db2.gz RFHACAMXVMWSPF-UHFFFAOYSA-N 1 2 292.405 -1.160 20 0 CAADLO CNC(=O)Cc1noc(C[NH+]2CCC(CO)(CO)CC2)n1 ZINC001363843046 886996006 /nfs/dbraw/zinc/99/60/06/886996006.db2.gz XOKJXTCFOOAOPM-UHFFFAOYSA-N 1 2 298.343 -1.075 20 0 CAADLO CNC(=O)NC1CC[NH+](Cc2cn(CC(N)=O)nn2)CC1 ZINC001363918754 887005272 /nfs/dbraw/zinc/00/52/72/887005272.db2.gz UEZNMKGCLPWACG-UHFFFAOYSA-N 1 2 295.347 -1.343 20 0 CAADLO Cn1ccn2c(C[NH2+]C3COCCOC3)nnc2c1=O ZINC001363933596 887005843 /nfs/dbraw/zinc/00/58/43/887005843.db2.gz BFEXNWIKOTZVNX-UHFFFAOYSA-N 1 2 279.300 -1.067 20 0 CAADLO COC[C@@](C)(O)CNS(=O)(=O)N1CC[NH+](C)CC1 ZINC001363971797 887011087 /nfs/dbraw/zinc/01/10/87/887011087.db2.gz CVKRDJASYCJJCP-JTQLQIEISA-N 1 2 281.378 -1.534 20 0 CAADLO COC[C@H](CNS(=O)(=O)N1CC[NH+](C)CC1)OC ZINC001363974314 887011721 /nfs/dbraw/zinc/01/17/21/887011721.db2.gz XLXLLGSDTHLNQD-JTQLQIEISA-N 1 2 281.378 -1.270 20 0 CAADLO COC[C@@H](CNS(=O)(=O)N1CC[NH+](C)CC1)OC ZINC001363974321 887012108 /nfs/dbraw/zinc/01/21/08/887012108.db2.gz XLXLLGSDTHLNQD-SNVBAGLBSA-N 1 2 281.378 -1.270 20 0 CAADLO C[N@@H+]1CC[C@@H]2CN(S(=O)(=O)CCS(C)(=O)=O)C[C@@H]21 ZINC001363980177 887012540 /nfs/dbraw/zinc/01/25/40/887012540.db2.gz HVFOSCUEGZIAMK-ZJUUUORDSA-N 1 2 296.414 -1.003 20 0 CAADLO C[N@H+]1CC[C@@H]2CN(S(=O)(=O)CCS(C)(=O)=O)C[C@@H]21 ZINC001363980177 887012551 /nfs/dbraw/zinc/01/25/51/887012551.db2.gz HVFOSCUEGZIAMK-ZJUUUORDSA-N 1 2 296.414 -1.003 20 0 CAADLO C[C@H]1C[C@H](NS(=O)(=O)N2CC[NH+](C)CC2)C(=O)O1 ZINC001363997703 887016371 /nfs/dbraw/zinc/01/63/71/887016371.db2.gz KRUUZIQNDACGTR-IUCAKERBSA-N 1 2 277.346 -1.228 20 0 CAADLO C[C@@H]1C[C@H](NS(=O)(=O)N2CC[NH+](C)CC2)C(=O)O1 ZINC001363997696 887016956 /nfs/dbraw/zinc/01/69/56/887016956.db2.gz KRUUZIQNDACGTR-BDAKNGLRSA-N 1 2 277.346 -1.228 20 0 CAADLO COC(=O)[C@](C)(CO)NS(=O)(=O)CCn1cc[nH+]c1 ZINC001363999271 887016978 /nfs/dbraw/zinc/01/69/78/887016978.db2.gz GWHBGSVRZZPQCI-JTQLQIEISA-N 1 2 291.329 -1.274 20 0 CAADLO COC[C@@H](NC(=O)C1CN(C)CC[N@H+](C)C1)c1nn[nH]n1 ZINC001364025645 887022067 /nfs/dbraw/zinc/02/20/67/887022067.db2.gz IDDMBBXNEVEVAI-SNVBAGLBSA-N 1 2 297.363 -1.503 20 0 CAADLO COC[C@@H](NC(=O)C1CN(C)CC[N@@H+](C)C1)c1nn[nH]n1 ZINC001364025645 887022074 /nfs/dbraw/zinc/02/20/74/887022074.db2.gz IDDMBBXNEVEVAI-SNVBAGLBSA-N 1 2 297.363 -1.503 20 0 CAADLO Cn1c[nH+]cc1[C@@H](CO)NC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001364190534 887043094 /nfs/dbraw/zinc/04/30/94/887043094.db2.gz DWQPPEOBIWMPDI-HTQZYQBOSA-N 1 2 288.329 -1.739 20 0 CAADLO CN(C)c1nc(N)nc(C(=O)N2CC[N@H+](C)C[C@H]2CO)n1 ZINC001364224125 887046562 /nfs/dbraw/zinc/04/65/62/887046562.db2.gz GKYAOPZPSGGIKK-QMMMGPOBSA-N 1 2 295.347 -1.732 20 0 CAADLO CN(C)c1nc(N)nc(C(=O)N2CC[N@@H+](C)C[C@H]2CO)n1 ZINC001364224125 887046569 /nfs/dbraw/zinc/04/65/69/887046569.db2.gz GKYAOPZPSGGIKK-QMMMGPOBSA-N 1 2 295.347 -1.732 20 0 CAADLO Cn1ncc2c1nc[nH+]c2N1C[C@H](C(N)=O)[C@H](C(N)=O)C1 ZINC001364233975 887049480 /nfs/dbraw/zinc/04/94/80/887049480.db2.gz ZSRADARYXYMYTQ-OCAPTIKFSA-N 1 2 289.299 -1.614 20 0 CAADLO Cn1c[nH+]c(CCNC(=O)N2CCO[C@H](C(N)=O)C2)c1 ZINC001364288451 887055855 /nfs/dbraw/zinc/05/58/55/887055855.db2.gz PIDCAENAYUKULJ-JTQLQIEISA-N 1 2 281.316 -1.142 20 0 CAADLO Cn1c[nH+]c(CCNC(=O)N2CCO[C@@H](C(N)=O)C2)c1 ZINC001364288454 887056486 /nfs/dbraw/zinc/05/64/86/887056486.db2.gz PIDCAENAYUKULJ-SNVBAGLBSA-N 1 2 281.316 -1.142 20 0 CAADLO NS(=O)(=O)CCN1CC[NH+](C[C@H]2CCC(=O)O2)CC1 ZINC001364358244 887068960 /nfs/dbraw/zinc/06/89/60/887068960.db2.gz NMVAGDOLIRGGEG-SNVBAGLBSA-N 1 2 291.373 -1.402 20 0 CAADLO NS(=O)(=O)CCN1CC[NH+](C[C@@H]2CCC(=O)O2)CC1 ZINC001364358240 887069834 /nfs/dbraw/zinc/06/98/34/887069834.db2.gz NMVAGDOLIRGGEG-JTQLQIEISA-N 1 2 291.373 -1.402 20 0 CAADLO CS(=O)(=O)[C@@H]1CC[N@H+](CC2CN(S(C)(=O)=O)C2)C1 ZINC001364388531 887075105 /nfs/dbraw/zinc/07/51/05/887075105.db2.gz UUSHWDQTQFXMCD-SNVBAGLBSA-N 1 2 296.414 -1.003 20 0 CAADLO CS(=O)(=O)[C@@H]1CC[N@@H+](CC2CN(S(C)(=O)=O)C2)C1 ZINC001364388531 887075116 /nfs/dbraw/zinc/07/51/16/887075116.db2.gz UUSHWDQTQFXMCD-SNVBAGLBSA-N 1 2 296.414 -1.003 20 0 CAADLO CO[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+][C@H](CO)c1cnn(C)c1 ZINC001364389195 887075827 /nfs/dbraw/zinc/07/58/27/887075827.db2.gz IZNTUUZQKOCZKD-OUAUKWLOSA-N 1 2 289.357 -1.145 20 0 CAADLO CNS(=O)(=O)N1CC[NH+](C[C@](C)(O)C(C)=O)CC1 ZINC001364414842 887080494 /nfs/dbraw/zinc/08/04/94/887080494.db2.gz JFQNBVZZFVLJKG-JTQLQIEISA-N 1 2 279.362 -1.592 20 0 CAADLO NC(=O)C1(O)CC[NH+](CC(=O)Nc2ccncc2)CC1 ZINC001364404715 887080808 /nfs/dbraw/zinc/08/08/08/887080808.db2.gz IEEGUJRJTZMDMF-UHFFFAOYSA-N 1 2 278.312 -1.246 20 0 CAADLO CN(C)c1nc(N)nc(C(=O)N2CC[N@H+](C)[C@H](CO)C2)n1 ZINC001364420702 887081859 /nfs/dbraw/zinc/08/18/59/887081859.db2.gz MFVBEMYRDSOHQR-QMMMGPOBSA-N 1 2 295.347 -1.732 20 0 CAADLO CN(C)c1nc(N)nc(C(=O)N2CC[N@@H+](C)[C@H](CO)C2)n1 ZINC001364420702 887081872 /nfs/dbraw/zinc/08/18/72/887081872.db2.gz MFVBEMYRDSOHQR-QMMMGPOBSA-N 1 2 295.347 -1.732 20 0 CAADLO CN(C)c1nc(N)nc(C(=O)N2CC[N@H+](C)[C@@H](CO)C2)n1 ZINC001364420689 887082144 /nfs/dbraw/zinc/08/21/44/887082144.db2.gz MFVBEMYRDSOHQR-MRVPVSSYSA-N 1 2 295.347 -1.732 20 0 CAADLO CN(C)c1nc(N)nc(C(=O)N2CC[N@@H+](C)[C@@H](CO)C2)n1 ZINC001364420689 887082153 /nfs/dbraw/zinc/08/21/53/887082153.db2.gz MFVBEMYRDSOHQR-MRVPVSSYSA-N 1 2 295.347 -1.732 20 0 CAADLO C[C@H](c1nc(N)nc(N(C)C)n1)[N@@H+]1C[C@@H](O)[C@H](CO)C1 ZINC001364434455 887082980 /nfs/dbraw/zinc/08/29/80/887082980.db2.gz DZODPRBRLXOQMH-HRDYMLBCSA-N 1 2 282.348 -1.134 20 0 CAADLO C[C@H](c1nc(N)nc(N(C)C)n1)[N@H+]1C[C@@H](O)[C@H](CO)C1 ZINC001364434455 887082992 /nfs/dbraw/zinc/08/29/92/887082992.db2.gz DZODPRBRLXOQMH-HRDYMLBCSA-N 1 2 282.348 -1.134 20 0 CAADLO CNC(=O)Cc1noc(C[N@@H+]2C[C@H](O)C[C@]2(C)CO)n1 ZINC001364450210 887087244 /nfs/dbraw/zinc/08/72/44/887087244.db2.gz MTZZJABJRUPSMK-PRHODGIISA-N 1 2 284.316 -1.324 20 0 CAADLO CNC(=O)Cc1noc(C[N@H+]2C[C@H](O)C[C@]2(C)CO)n1 ZINC001364450210 887087253 /nfs/dbraw/zinc/08/72/53/887087253.db2.gz MTZZJABJRUPSMK-PRHODGIISA-N 1 2 284.316 -1.324 20 0 CAADLO O=C(C[N@@H+]1CC[C@H](O)[C@@H](CO)C1)NCC(=O)N1CCCC1 ZINC001364437873 887088190 /nfs/dbraw/zinc/08/81/90/887088190.db2.gz JLFSWAAATFATRQ-NEPJUHHUSA-N 1 2 299.371 -1.600 20 0 CAADLO O=C(C[N@H+]1CC[C@H](O)[C@@H](CO)C1)NCC(=O)N1CCCC1 ZINC001364437873 887088200 /nfs/dbraw/zinc/08/82/00/887088200.db2.gz JLFSWAAATFATRQ-NEPJUHHUSA-N 1 2 299.371 -1.600 20 0 CAADLO Cn1ncnc1C1(O)CC[NH+](CC(=O)NC(N)=O)CC1 ZINC001364498729 887098922 /nfs/dbraw/zinc/09/89/22/887098922.db2.gz FOHWJEJDIRQFNW-UHFFFAOYSA-N 1 2 282.304 -1.707 20 0 CAADLO COC(=O)[C@@H](Cn1cc[nH+]c1)NC(=O)c1cnn(C)n1 ZINC001364507105 887100378 /nfs/dbraw/zinc/10/03/78/887100378.db2.gz ROSTVTQNWDHRJH-SECBINFHSA-N 1 2 278.272 -1.017 20 0 CAADLO C[N@@H+](Cc1nnc2c(=O)[nH]ccn12)C[C@H]1CNC(=O)C1 ZINC001364513654 887102695 /nfs/dbraw/zinc/10/26/95/887102695.db2.gz LJIMPGCPHWRBFJ-MRVPVSSYSA-N 1 2 276.300 -1.015 20 0 CAADLO C[N@H+](Cc1nnc2c(=O)[nH]ccn12)C[C@H]1CNC(=O)C1 ZINC001364513654 887102702 /nfs/dbraw/zinc/10/27/02/887102702.db2.gz LJIMPGCPHWRBFJ-MRVPVSSYSA-N 1 2 276.300 -1.015 20 0 CAADLO CCN(C)C(=O)C[N@@H+]1CCN2CCOC[C@]2(CO)C1 ZINC001364526947 887103041 /nfs/dbraw/zinc/10/30/41/887103041.db2.gz ASNXSKBWQYKXTL-CYBMUJFWSA-N 1 2 271.361 -1.156 20 0 CAADLO CCN(C)C(=O)C[N@H+]1CCN2CCOC[C@]2(CO)C1 ZINC001364526947 887103048 /nfs/dbraw/zinc/10/30/48/887103048.db2.gz ASNXSKBWQYKXTL-CYBMUJFWSA-N 1 2 271.361 -1.156 20 0 CAADLO CN(CCS(N)(=O)=O)C(=O)NCCn1cc[nH+]c1 ZINC001364519821 887103130 /nfs/dbraw/zinc/10/31/30/887103130.db2.gz VVLLTSZTFCVBBD-UHFFFAOYSA-N 1 2 275.334 -1.187 20 0 CAADLO COC(=O)[C@@H]1C[NH+](Cc2nc(=O)n(C)[nH]2)C[C@H]1C(=O)OC ZINC001364544730 887105318 /nfs/dbraw/zinc/10/53/18/887105318.db2.gz CZWJHNOYYJXMOK-HTQZYQBOSA-N 1 2 298.299 -1.498 20 0 CAADLO CC(C)N1CC[C@H]([NH2+]Cc2cn(CC(N)=O)nn2)C1=O ZINC001364609655 887113466 /nfs/dbraw/zinc/11/34/66/887113466.db2.gz ZPZADZORYNMMAQ-JTQLQIEISA-N 1 2 280.332 -1.138 20 0 CAADLO CC(C)N1CC[C@@H]([NH2+]Cc2cn(CC(N)=O)nn2)C1=O ZINC001364609656 887114587 /nfs/dbraw/zinc/11/45/87/887114587.db2.gz ZPZADZORYNMMAQ-SNVBAGLBSA-N 1 2 280.332 -1.138 20 0 CAADLO O=C(Cc1[nH]cc[nH+]1)NCc1nnc2n1CCNC2=O ZINC001364620891 887114993 /nfs/dbraw/zinc/11/49/93/887114993.db2.gz VZPGYTFHRTZVSS-UHFFFAOYSA-N 1 2 275.272 -1.397 20 0 CAADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1cn[nH]c(=O)c1 ZINC001364651360 887116724 /nfs/dbraw/zinc/11/67/24/887116724.db2.gz LDKANCIGHNLZAH-VIFPVBQESA-N 1 2 290.283 -1.008 20 0 CAADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1cn[nH]c(=O)c1 ZINC001364651360 887116729 /nfs/dbraw/zinc/11/67/29/887116729.db2.gz LDKANCIGHNLZAH-VIFPVBQESA-N 1 2 290.283 -1.008 20 0 CAADLO Nc1nc2nc(CN3C[C@H]4C[NH2+]C[C@H]4C3)cc(=O)n2[nH]1 ZINC001364624055 887117932 /nfs/dbraw/zinc/11/79/32/887117932.db2.gz QMDVJEBKNBNPTR-OCAPTIKFSA-N 1 2 275.316 -1.349 20 0 CAADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1cnnn1C ZINC001364650904 887118063 /nfs/dbraw/zinc/11/80/63/887118063.db2.gz JGFYMHVWUAFOMZ-QMMMGPOBSA-N 1 2 277.288 -1.375 20 0 CAADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1cnnn1C ZINC001364650904 887118068 /nfs/dbraw/zinc/11/80/68/887118068.db2.gz JGFYMHVWUAFOMZ-QMMMGPOBSA-N 1 2 277.288 -1.375 20 0 CAADLO NC(=O)Cn1cc(C[N@@H+]2CCN3CCOC[C@@H]3C2)nn1 ZINC001364665883 887121002 /nfs/dbraw/zinc/12/10/02/887121002.db2.gz PXFGSZADMRAJOW-NSHDSACASA-N 1 2 280.332 -1.720 20 0 CAADLO NC(=O)Cn1cc(C[N@H+]2CCN3CCOC[C@@H]3C2)nn1 ZINC001364665883 887121010 /nfs/dbraw/zinc/12/10/10/887121010.db2.gz PXFGSZADMRAJOW-NSHDSACASA-N 1 2 280.332 -1.720 20 0 CAADLO C[C@@]1(C(N)=O)CC[N@H+](Cc2cc(=O)n3[nH]c(N)nc3n2)C1 ZINC001364689822 887123675 /nfs/dbraw/zinc/12/36/75/887123675.db2.gz HGNAWUOHERXADO-GFCCVEGCSA-N 1 2 291.315 -1.303 20 0 CAADLO C[C@@]1(C(N)=O)CC[N@@H+](Cc2cc(=O)n3[nH]c(N)nc3n2)C1 ZINC001364689822 887123681 /nfs/dbraw/zinc/12/36/81/887123681.db2.gz HGNAWUOHERXADO-GFCCVEGCSA-N 1 2 291.315 -1.303 20 0 CAADLO CS(=O)(=O)NCC[N@H+]1CC[C@H]2OCC(=O)N[C@@H]2C1 ZINC001364717590 887125863 /nfs/dbraw/zinc/12/58/63/887125863.db2.gz IUAPHXAZHZVUJS-RKDXNWHRSA-N 1 2 277.346 -1.875 20 0 CAADLO CC[C@@H]1COCC[N@H+]1CCNC(=O)[C@H](CO)NC(N)=O ZINC001364716662 887125683 /nfs/dbraw/zinc/12/56/83/887125683.db2.gz FELDTWOXSDKYRS-ZJUUUORDSA-N 1 2 288.348 -1.757 20 0 CAADLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)[C@H](CO)NC(N)=O ZINC001364716662 887125677 /nfs/dbraw/zinc/12/56/77/887125677.db2.gz FELDTWOXSDKYRS-ZJUUUORDSA-N 1 2 288.348 -1.757 20 0 CAADLO CS(=O)(=O)NCC[N@@H+]1CC[C@H]2OCC(=O)N[C@@H]2C1 ZINC001364717590 887125858 /nfs/dbraw/zinc/12/58/58/887125858.db2.gz IUAPHXAZHZVUJS-RKDXNWHRSA-N 1 2 277.346 -1.875 20 0 CAADLO Cn1c[nH+]cc1CNC(=O)NC[C@H](O)Cn1ccnn1 ZINC001364730363 887127100 /nfs/dbraw/zinc/12/71/00/887127100.db2.gz UNZSGIDAKIZJJR-JTQLQIEISA-N 1 2 279.304 -1.128 20 0 CAADLO CO[C@H](C)c1noc(C[N@@H+]2C[C@H](C(N)=O)[C@H](C(N)=O)C2)n1 ZINC001364758278 887131887 /nfs/dbraw/zinc/13/18/87/887131887.db2.gz UBMSXFYLOXWCMV-PRJMDXOYSA-N 1 2 297.315 -1.204 20 0 CAADLO CO[C@H](C)c1noc(C[N@H+]2C[C@H](C(N)=O)[C@H](C(N)=O)C2)n1 ZINC001364758278 887131894 /nfs/dbraw/zinc/13/18/94/887131894.db2.gz UBMSXFYLOXWCMV-PRJMDXOYSA-N 1 2 297.315 -1.204 20 0 CAADLO CCn1cnnc1CNS(=O)(=O)N1CC[NH+](C)CC1 ZINC001364756628 887131950 /nfs/dbraw/zinc/13/19/50/887131950.db2.gz IHGBQWKJHUTLFJ-UHFFFAOYSA-N 1 2 288.377 -1.120 20 0 CAADLO Cn1nncc1C[NH2+]C1(C(N)=O)CCS(=O)(=O)CC1 ZINC001364783396 887133633 /nfs/dbraw/zinc/13/36/33/887133633.db2.gz KJFKMFXGSNIBGH-UHFFFAOYSA-N 1 2 287.345 -1.663 20 0 CAADLO NC(=O)NC(=O)CN1CC[NH+](CCc2cnccn2)CC1 ZINC001364786933 887134839 /nfs/dbraw/zinc/13/48/39/887134839.db2.gz YCMKXNDNSKFSJC-UHFFFAOYSA-N 1 2 292.343 -1.168 20 0 CAADLO NS(=O)(=O)CCC[N@@H+]1CCC[C@H]2OCCNC(=O)[C@H]21 ZINC001364786328 887134876 /nfs/dbraw/zinc/13/48/76/887134876.db2.gz WCQCMKYXXNFSFU-ZJUUUORDSA-N 1 2 291.373 -1.356 20 0 CAADLO NS(=O)(=O)CCC[N@H+]1CCC[C@H]2OCCNC(=O)[C@H]21 ZINC001364786328 887134880 /nfs/dbraw/zinc/13/48/80/887134880.db2.gz WCQCMKYXXNFSFU-ZJUUUORDSA-N 1 2 291.373 -1.356 20 0 CAADLO C[C@H]1C(=O)NCCN1S(=O)(=O)N1CC[NH+](C)CC1 ZINC001364798996 887135241 /nfs/dbraw/zinc/13/52/41/887135241.db2.gz RYHIDUGGPLCZDO-VIFPVBQESA-N 1 2 276.362 -1.701 20 0 CAADLO Cn1c[nH+]cc1CC(=O)N1CC2(C1)C[C@H](O)CNC2=O ZINC001364795520 887136072 /nfs/dbraw/zinc/13/60/72/887136072.db2.gz PSYCCKLLBVJMRG-JTQLQIEISA-N 1 2 278.312 -1.328 20 0 CAADLO C[N@H+](CC[C@H]1CCNC1=O)Cc1nnc2n1CCNC2=O ZINC001364803097 887136513 /nfs/dbraw/zinc/13/65/13/887136513.db2.gz LLPPNCOWIAHRMV-SECBINFHSA-N 1 2 292.343 -1.021 20 0 CAADLO C[N@@H+](CC[C@H]1CCNC1=O)Cc1nnc2n1CCNC2=O ZINC001364803097 887136520 /nfs/dbraw/zinc/13/65/20/887136520.db2.gz LLPPNCOWIAHRMV-SECBINFHSA-N 1 2 292.343 -1.021 20 0 CAADLO COC[C@@H](NC(=O)[C@@H](C)N1CC[NH+](C)CC1)c1nn[nH]n1 ZINC001364813812 887138417 /nfs/dbraw/zinc/13/84/17/887138417.db2.gz KEBNIWKRDPUURW-NXEZZACHSA-N 1 2 297.363 -1.361 20 0 CAADLO COC[C@H](NC(=O)[C@H](C)N1CC[NH+](C)CC1)c1nn[nH]n1 ZINC001364813829 887139119 /nfs/dbraw/zinc/13/91/19/887139119.db2.gz KEBNIWKRDPUURW-UWVGGRQHSA-N 1 2 297.363 -1.361 20 0 CAADLO COC[C@@H](O)CCNS(=O)(=O)N1CC[NH+](C)CC1 ZINC001364814274 887139168 /nfs/dbraw/zinc/13/91/68/887139168.db2.gz LUBVBEKBSIBJIB-JTQLQIEISA-N 1 2 281.378 -1.534 20 0 CAADLO COC(=O)CNC(=O)[C@H](C)[NH2+][C@H](C)c1nnnn1C ZINC001364834502 887141733 /nfs/dbraw/zinc/14/17/33/887141733.db2.gz CKXQBFCGWVMDIV-RQJHMYQMSA-N 1 2 270.293 -1.462 20 0 CAADLO COC[C@@H](NS(=O)(=O)N1CC[NH+](C)CC1)C(N)=O ZINC001364828800 887141911 /nfs/dbraw/zinc/14/19/11/887141911.db2.gz NPHISLZHFRBRQY-MRVPVSSYSA-N 1 2 280.350 -2.432 20 0 CAADLO CC(C)N(C[C@@H](O)CO)S(=O)(=O)N1CC[NH+](C)CC1 ZINC001364892625 887151802 /nfs/dbraw/zinc/15/18/02/887151802.db2.gz XFFHUYCGVGFPFE-LLVKDONJSA-N 1 2 295.405 -1.458 20 0 CAADLO CCn1ncnc1C[NH2+]C[C@]1(O)CCS(=O)(=O)C1 ZINC001364896027 887152270 /nfs/dbraw/zinc/15/22/70/887152270.db2.gz VGJPYGHZSDCHRZ-SNVBAGLBSA-N 1 2 274.346 -1.063 20 0 CAADLO O=S(=O)(CCn1cc[nH+]c1)N[C@@H]1CCOC[C@H]1O ZINC001364915105 887155215 /nfs/dbraw/zinc/15/52/15/887155215.db2.gz MMADDMNKRROGMR-NXEZZACHSA-N 1 2 275.330 -1.048 20 0 CAADLO NC(=O)Cn1cc(C[N@@H+]2CC[C@@H](N3CCCC3=O)C2)nn1 ZINC001364954675 887157225 /nfs/dbraw/zinc/15/72/25/887157225.db2.gz KDXIZGNVCMIPRD-LLVKDONJSA-N 1 2 292.343 -1.040 20 0 CAADLO NC(=O)Cn1cc(C[N@H+]2CC[C@@H](N3CCCC3=O)C2)nn1 ZINC001364954675 887157227 /nfs/dbraw/zinc/15/72/27/887157227.db2.gz KDXIZGNVCMIPRD-LLVKDONJSA-N 1 2 292.343 -1.040 20 0 CAADLO COC[C@@H]1COCCN1S(=O)(=O)N1CC[NH+](C)CC1 ZINC001364943019 887157373 /nfs/dbraw/zinc/15/73/73/887157373.db2.gz LGWDWYXMVXNTIK-LLVKDONJSA-N 1 2 293.389 -1.174 20 0 CAADLO COC[C@H]1COCCN1S(=O)(=O)N1CC[NH+](C)CC1 ZINC001364943024 887158946 /nfs/dbraw/zinc/15/89/46/887158946.db2.gz LGWDWYXMVXNTIK-NSHDSACASA-N 1 2 293.389 -1.174 20 0 CAADLO COC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)C1(NC(N)=O)CC1 ZINC001364998740 887164087 /nfs/dbraw/zinc/16/40/87/887164087.db2.gz ZFQGUINPMFHRFV-MRVPVSSYSA-N 1 2 295.299 -1.189 20 0 CAADLO COC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)C1(NC(N)=O)CC1 ZINC001364998740 887164093 /nfs/dbraw/zinc/16/40/93/887164093.db2.gz ZFQGUINPMFHRFV-MRVPVSSYSA-N 1 2 295.299 -1.189 20 0 CAADLO C[C@H](NS(=O)(=O)N1CC[NH+](C)CC1)c1nncn1C ZINC001365037837 887164740 /nfs/dbraw/zinc/16/47/40/887164740.db2.gz FEZPEKKHFUFMAN-VIFPVBQESA-N 1 2 288.377 -1.042 20 0 CAADLO Cn1c[nH+]cc1CC(=O)NC[C@@H](O)CS(C)(=O)=O ZINC001365064952 887168032 /nfs/dbraw/zinc/16/80/32/887168032.db2.gz KUABDFHBZMBYGN-SECBINFHSA-N 1 2 275.330 -1.516 20 0 CAADLO NC(=O)C1(O)CCN(C(=O)NCCn2cc[nH+]c2)CC1 ZINC001365100971 887170117 /nfs/dbraw/zinc/17/01/17/887170117.db2.gz NRAHGJCTFLCDKR-UHFFFAOYSA-N 1 2 281.316 -1.095 20 0 CAADLO C[C@H](C[NH+]1CCOCC1)NC(=O)N1C[C@@H](O)[C@H](CO)C1 ZINC001365304644 887191483 /nfs/dbraw/zinc/19/14/83/887191483.db2.gz SKPFXNHKZUHJQP-GRYCIOLGSA-N 1 2 287.360 -1.298 20 0 CAADLO COC(=O)Cn1cc(CC[N@@H+]2C[C@H](O)C[C@H]2C(N)=O)nn1 ZINC001365316382 887191707 /nfs/dbraw/zinc/19/17/07/887191707.db2.gz FQNRKPRRKUNFRL-ZJUUUORDSA-N 1 2 297.315 -2.086 20 0 CAADLO COC(=O)Cn1cc(CC[N@H+]2C[C@H](O)C[C@H]2C(N)=O)nn1 ZINC001365316382 887191712 /nfs/dbraw/zinc/19/17/12/887191712.db2.gz FQNRKPRRKUNFRL-ZJUUUORDSA-N 1 2 297.315 -2.086 20 0 CAADLO COc1nnc(C[NH+]2C[C@H](C(N)=O)[C@@H](C(N)=O)C2)s1 ZINC001365319099 887194057 /nfs/dbraw/zinc/19/40/57/887194057.db2.gz UZAJKHKSMMCZTB-WDSKDSINSA-N 1 2 285.329 -1.435 20 0 CAADLO Cn1[nH]c(C[NH+]2CCC(C(=O)NCCO)CC2)nc1=O ZINC001365320495 887194535 /nfs/dbraw/zinc/19/45/35/887194535.db2.gz QKJJBBPLKQSNOJ-UHFFFAOYSA-N 1 2 283.332 -1.571 20 0 CAADLO CO[C@@H]1COC[C@H]1NS(=O)(=O)N1CC[NH+](C)CC1 ZINC001365425090 887208820 /nfs/dbraw/zinc/20/88/20/887208820.db2.gz KIRQXEORVFAZSO-NXEZZACHSA-N 1 2 279.362 -1.518 20 0 CAADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)NCc1nc(N)n[nH]1 ZINC001365425281 887208900 /nfs/dbraw/zinc/20/89/00/887208900.db2.gz FYLSLPCSRHOCFK-QMMMGPOBSA-N 1 2 283.336 -1.093 20 0 CAADLO NS(=O)(=O)c1cccc(C[N@H+]2C[C@@H](O)[C@@H](O)C2)c1 ZINC001365540436 887220552 /nfs/dbraw/zinc/22/05/52/887220552.db2.gz IQNOXKGSFVVLON-PHIMTYICSA-N 1 2 272.326 -1.129 20 0 CAADLO NS(=O)(=O)c1cccc(C[N@@H+]2C[C@@H](O)[C@@H](O)C2)c1 ZINC001365540436 887220564 /nfs/dbraw/zinc/22/05/64/887220564.db2.gz IQNOXKGSFVVLON-PHIMTYICSA-N 1 2 272.326 -1.129 20 0 CAADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)N1C[C@H](CO)[C@H](O)C1 ZINC001365556608 887222228 /nfs/dbraw/zinc/22/22/28/887222228.db2.gz YCHRFNHGTRQCHT-IJLUTSLNSA-N 1 2 287.360 -1.298 20 0 CAADLO C[C@H](Cn1cncn1)[NH2+]Cc1nnc2n1CCNC2=O ZINC001365612651 887227286 /nfs/dbraw/zinc/22/72/86/887227286.db2.gz LGSQBAZNMWZTMN-MRVPVSSYSA-N 1 2 276.304 -1.209 20 0 CAADLO Cn1c[nH+]cc1CNC(=O)N1CC(O)(c2ncnn2C)C1 ZINC001365662924 887235463 /nfs/dbraw/zinc/23/54/63/887235463.db2.gz PJGRVVFDQSIHJX-UHFFFAOYSA-N 1 2 291.315 -1.038 20 0 CAADLO O=C([C@H]1CCC(=O)N1)N1CC[NH+](CCn2cncn2)CC1 ZINC001365689268 887237499 /nfs/dbraw/zinc/23/74/99/887237499.db2.gz VLEDZFRXRWEGSX-LLVKDONJSA-N 1 2 292.343 -1.299 20 0 CAADLO O=S(=O)([C@@H]1COC[C@H]1O)N1CC(n2cc[nH+]c2)C1 ZINC001365699997 887237700 /nfs/dbraw/zinc/23/77/00/887237700.db2.gz YAZGHCUFNNOQCV-NXEZZACHSA-N 1 2 273.314 -1.171 20 0 CAADLO CNC(=O)[C@H](O)CNS(=O)(=O)CCn1cc[nH+]c1 ZINC001365699590 887239716 /nfs/dbraw/zinc/23/97/16/887239716.db2.gz LOJPKZDTXIPBTJ-MRVPVSSYSA-N 1 2 276.318 -2.091 20 0 CAADLO Cc1nnc(CNS(=O)(=O)N2CC[NH+](C)CC2)[nH]1 ZINC001365746120 887245476 /nfs/dbraw/zinc/24/54/76/887245476.db2.gz OWMBGTCGRVZVLL-UHFFFAOYSA-N 1 2 274.350 -1.305 20 0 CAADLO COC[C@@H](O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)Cc1ncn[nH]1 ZINC001365798681 887247449 /nfs/dbraw/zinc/24/74/49/887247449.db2.gz ATWJJLIKIOJKII-MNOVXSKESA-N 1 2 297.359 -1.113 20 0 CAADLO COC[C@@H](O)C[N@H+]1CC[C@@H]1CN(C)C(=O)Cc1ncn[nH]1 ZINC001365798681 887247465 /nfs/dbraw/zinc/24/74/65/887247465.db2.gz ATWJJLIKIOJKII-MNOVXSKESA-N 1 2 297.359 -1.113 20 0 CAADLO CC[C@](C)(NS(=O)(=O)N1CC[NH+](C)CC1)C(N)=O ZINC001365742541 887247584 /nfs/dbraw/zinc/24/75/84/887247584.db2.gz ALLILLAXJUCVKS-JTQLQIEISA-N 1 2 278.378 -1.278 20 0 CAADLO CNS(=O)(=O)N1CC([NH+](CCOC)CCOC)C1 ZINC001365739567 887247741 /nfs/dbraw/zinc/24/77/41/887247741.db2.gz RBBXQMXZNXLFAH-UHFFFAOYSA-N 1 2 281.378 -1.270 20 0 CAADLO COC[C@@H](O)C[N@@H+]1CC[C@H]1CN(C)C(=O)Cc1ncn[nH]1 ZINC001365798682 887247825 /nfs/dbraw/zinc/24/78/25/887247825.db2.gz ATWJJLIKIOJKII-QWRGUYRKSA-N 1 2 297.359 -1.113 20 0 CAADLO COC[C@@H](O)C[N@H+]1CC[C@H]1CN(C)C(=O)Cc1ncn[nH]1 ZINC001365798682 887247840 /nfs/dbraw/zinc/24/78/40/887247840.db2.gz ATWJJLIKIOJKII-QWRGUYRKSA-N 1 2 297.359 -1.113 20 0 CAADLO CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)Cn2ncnn2)C1 ZINC001365933393 887250707 /nfs/dbraw/zinc/25/07/07/887250707.db2.gz DHGZKLBMSKHLIU-SNVBAGLBSA-N 1 2 295.347 -1.610 20 0 CAADLO CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)Cn2ncnn2)C1 ZINC001365933393 887250721 /nfs/dbraw/zinc/25/07/21/887250721.db2.gz DHGZKLBMSKHLIU-SNVBAGLBSA-N 1 2 295.347 -1.610 20 0 CAADLO CCC(=O)NCC(=O)N[C@H]1CCC[N@H+](CC(N)=O)C1 ZINC001365924814 887251435 /nfs/dbraw/zinc/25/14/35/887251435.db2.gz DSLVXRFECXVFFV-VIFPVBQESA-N 1 2 270.333 -1.422 20 0 CAADLO CCC(=O)NCC(=O)N[C@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001365924814 887251449 /nfs/dbraw/zinc/25/14/49/887251449.db2.gz DSLVXRFECXVFFV-VIFPVBQESA-N 1 2 270.333 -1.422 20 0 CAADLO CNC(=O)CCCC(=O)N[C@@H]1CCC[N@H+](CC(N)=O)C1 ZINC001365941986 887254184 /nfs/dbraw/zinc/25/41/84/887254184.db2.gz LPPPANZSBUTVRE-SNVBAGLBSA-N 1 2 284.360 -1.031 20 0 CAADLO CNC(=O)CCCC(=O)N[C@@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001365941986 887254202 /nfs/dbraw/zinc/25/42/02/887254202.db2.gz LPPPANZSBUTVRE-SNVBAGLBSA-N 1 2 284.360 -1.031 20 0 CAADLO CC(C)NC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001365971703 887255979 /nfs/dbraw/zinc/25/59/79/887255979.db2.gz BLOCOAWFGKLQRE-NXEZZACHSA-N 1 2 297.359 -1.617 20 0 CAADLO CC(C)NC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001365971703 887255991 /nfs/dbraw/zinc/25/59/91/887255991.db2.gz BLOCOAWFGKLQRE-NXEZZACHSA-N 1 2 297.359 -1.617 20 0 CAADLO Cn1nccc1C(=O)N[C@H]1CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001365969711 887256016 /nfs/dbraw/zinc/25/60/16/887256016.db2.gz GQHFMNZEVLOFCH-QMMMGPOBSA-N 1 2 294.315 -1.581 20 0 CAADLO Cn1nccc1C(=O)N[C@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001365969711 887256027 /nfs/dbraw/zinc/25/60/27/887256027.db2.gz GQHFMNZEVLOFCH-QMMMGPOBSA-N 1 2 294.315 -1.581 20 0 CAADLO CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@H](C)NC(C)=O)C1 ZINC001365968911 887256055 /nfs/dbraw/zinc/25/60/55/887256055.db2.gz JQCWCKJTPCRTOW-GXSJLCMTSA-N 1 2 284.360 -1.162 20 0 CAADLO CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@H](C)NC(C)=O)C1 ZINC001365968911 887256064 /nfs/dbraw/zinc/25/60/64/887256064.db2.gz JQCWCKJTPCRTOW-GXSJLCMTSA-N 1 2 284.360 -1.162 20 0 CAADLO CNC(=O)CCCC(=O)N[C@H]1CCC[N@H+](CC(N)=O)C1 ZINC001365941981 887257040 /nfs/dbraw/zinc/25/70/40/887257040.db2.gz LPPPANZSBUTVRE-JTQLQIEISA-N 1 2 284.360 -1.031 20 0 CAADLO CNC(=O)CCCC(=O)N[C@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001365941981 887257056 /nfs/dbraw/zinc/25/70/56/887257056.db2.gz LPPPANZSBUTVRE-JTQLQIEISA-N 1 2 284.360 -1.031 20 0 CAADLO Cn1nncc1C(=O)N[C@H]1CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001365987354 887259721 /nfs/dbraw/zinc/25/97/21/887259721.db2.gz YRGCATMUJNNASN-ZETCQYMHSA-N 1 2 295.303 -2.186 20 0 CAADLO Cn1nncc1C(=O)N[C@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001365987354 887259739 /nfs/dbraw/zinc/25/97/39/887259739.db2.gz YRGCATMUJNNASN-ZETCQYMHSA-N 1 2 295.303 -2.186 20 0 CAADLO NC(=O)NC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCOC2)C1 ZINC001365978109 887259834 /nfs/dbraw/zinc/25/98/34/887259834.db2.gz ULJITEZAXATKLS-IUCAKERBSA-N 1 2 284.316 -1.592 20 0 CAADLO NC(=O)NC(=O)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCOC2)C1 ZINC001365978109 887259849 /nfs/dbraw/zinc/25/98/49/887259849.db2.gz ULJITEZAXATKLS-IUCAKERBSA-N 1 2 284.316 -1.592 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CCc2nnc[nH]2)C1 ZINC001365977038 887260320 /nfs/dbraw/zinc/26/03/20/887260320.db2.gz TWHVDROVMBTWDP-SECBINFHSA-N 1 2 280.332 -1.326 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)CCc2nnc[nH]2)C1 ZINC001365977038 887260331 /nfs/dbraw/zinc/26/03/31/887260331.db2.gz TWHVDROVMBTWDP-SECBINFHSA-N 1 2 280.332 -1.326 20 0 CAADLO CO[C@@H](C)C(=O)N[C@@H]1CC[N@H+](CCNS(C)(=O)=O)C1 ZINC001365985871 887261120 /nfs/dbraw/zinc/26/11/20/887261120.db2.gz NTWFPMBYSZOJAO-VHSXEESVSA-N 1 2 293.389 -1.239 20 0 CAADLO CO[C@@H](C)C(=O)N[C@@H]1CC[N@@H+](CCNS(C)(=O)=O)C1 ZINC001365985871 887261137 /nfs/dbraw/zinc/26/11/37/887261137.db2.gz NTWFPMBYSZOJAO-VHSXEESVSA-N 1 2 293.389 -1.239 20 0 CAADLO Cn1nncc1C(=O)N[C@@H]1CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001365987334 887261680 /nfs/dbraw/zinc/26/16/80/887261680.db2.gz YRGCATMUJNNASN-SSDOTTSWSA-N 1 2 295.303 -2.186 20 0 CAADLO Cn1nncc1C(=O)N[C@@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001365987334 887261692 /nfs/dbraw/zinc/26/16/92/887261692.db2.gz YRGCATMUJNNASN-SSDOTTSWSA-N 1 2 295.303 -2.186 20 0 CAADLO CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2c[nH]c(=O)cn2)C1 ZINC001365982740 887263038 /nfs/dbraw/zinc/26/30/38/887263038.db2.gz NAGWXFJCXKMDJX-SECBINFHSA-N 1 2 293.327 -1.290 20 0 CAADLO CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2c[nH]c(=O)cn2)C1 ZINC001365982740 887263052 /nfs/dbraw/zinc/26/30/52/887263052.db2.gz NAGWXFJCXKMDJX-SECBINFHSA-N 1 2 293.327 -1.290 20 0 CAADLO C[C@@H](C(=O)NC(N)=O)[N@@H+]1CC[C@H](NC(=O)c2ncc[nH]2)C1 ZINC001365976069 887263709 /nfs/dbraw/zinc/26/37/09/887263709.db2.gz LQVPLEFYSKZAFT-YUMQZZPRSA-N 1 2 294.315 -1.203 20 0 CAADLO C[C@@H](C(=O)NC(N)=O)[N@H+]1CC[C@H](NC(=O)c2ncc[nH]2)C1 ZINC001365976069 887263726 /nfs/dbraw/zinc/26/37/26/887263726.db2.gz LQVPLEFYSKZAFT-YUMQZZPRSA-N 1 2 294.315 -1.203 20 0 CAADLO COC[C@H](OC)C(=O)N[C@H]1CC[N@H+](CC(=O)N(C)C)C1 ZINC001365997364 887264442 /nfs/dbraw/zinc/26/44/42/887264442.db2.gz NUVQWACVHAVOMN-QWRGUYRKSA-N 1 2 287.360 -1.074 20 0 CAADLO COC[C@H](OC)C(=O)N[C@H]1CC[N@@H+](CC(=O)N(C)C)C1 ZINC001365997364 887264458 /nfs/dbraw/zinc/26/44/58/887264458.db2.gz NUVQWACVHAVOMN-QWRGUYRKSA-N 1 2 287.360 -1.074 20 0 CAADLO COC[C@H](OC)C(=O)N[C@H]1C[C@H]([NH2+]Cc2nnn(C)n2)C1 ZINC001366125237 887270849 /nfs/dbraw/zinc/27/08/49/887270849.db2.gz IENWGUYZCCVVIT-GUBZILKMSA-N 1 2 298.347 -1.392 20 0 CAADLO COC[C@@H](OC)C(=O)N[C@H]1C[C@H]([NH2+]Cc2nnn(C)n2)C1 ZINC001366125247 887273110 /nfs/dbraw/zinc/27/31/10/887273110.db2.gz IENWGUYZCCVVIT-OPRDCNLKSA-N 1 2 298.347 -1.392 20 0 CAADLO Cc1nnc(C[NH2+][C@@H](C)CNC(=O)Cn2cnnn2)o1 ZINC001366255124 887278011 /nfs/dbraw/zinc/27/80/11/887278011.db2.gz ZILYXIFZCJMJED-ZETCQYMHSA-N 1 2 280.292 -1.341 20 0 CAADLO C[C@H](CNC(=O)[C@H](C)NC(N)=O)[NH2+]Cc1cnon1 ZINC001366259658 887278996 /nfs/dbraw/zinc/27/89/96/887278996.db2.gz KGYWVUOBOWYBMY-RQJHMYQMSA-N 1 2 270.293 -1.279 20 0 CAADLO Cc1nnc(C[NH2+][C@H](C)CNC(=O)Cn2cnnn2)o1 ZINC001366255123 887279424 /nfs/dbraw/zinc/27/94/24/887279424.db2.gz ZILYXIFZCJMJED-SSDOTTSWSA-N 1 2 280.292 -1.341 20 0 CAADLO C[C@@H](CNC(=O)[C@H](C)NC(N)=O)[NH2+]Cc1cnon1 ZINC001366259656 887280162 /nfs/dbraw/zinc/28/01/62/887280162.db2.gz KGYWVUOBOWYBMY-BQBZGAKWSA-N 1 2 270.293 -1.279 20 0 CAADLO COCC(=O)N(C)CC(=O)NC[C@@H](C)[NH2+]Cc1cnon1 ZINC001366283943 887284336 /nfs/dbraw/zinc/28/43/36/887284336.db2.gz QUDGTQUAZUTYMA-SECBINFHSA-N 1 2 299.331 -1.231 20 0 CAADLO C[C@@H](CNC(=O)Cc1c[nH+]cn1C)NCc1nnn(C)n1 ZINC001366342354 887288516 /nfs/dbraw/zinc/28/85/16/887288516.db2.gz HQQWUVKCXHDJIU-VIFPVBQESA-N 1 2 292.347 -1.219 20 0 CAADLO C[C@H](CNC(=O)CCn1cnnn1)[NH2+]Cc1cnon1 ZINC001366337110 887289401 /nfs/dbraw/zinc/28/94/01/887289401.db2.gz FYXBAMDMIXBDKD-MRVPVSSYSA-N 1 2 280.292 -1.259 20 0 CAADLO C[C@@H](CNC(=O)CCn1cnnn1)[NH2+]Cc1cnon1 ZINC001366337117 887289476 /nfs/dbraw/zinc/28/94/76/887289476.db2.gz FYXBAMDMIXBDKD-QMMMGPOBSA-N 1 2 280.292 -1.259 20 0 CAADLO C[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)NCc1nc(=O)n(C)[nH]1 ZINC001366360345 887294460 /nfs/dbraw/zinc/29/44/60/887294460.db2.gz UKDKQXOWLJCBLA-ZJUUUORDSA-N 1 2 296.375 -1.346 20 0 CAADLO C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)NCc1nc(=O)n(C)[nH]1 ZINC001366360345 887294470 /nfs/dbraw/zinc/29/44/70/887294470.db2.gz UKDKQXOWLJCBLA-ZJUUUORDSA-N 1 2 296.375 -1.346 20 0 CAADLO Cc1nonc1C(=O)NC[C@H](C)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001366372818 887297084 /nfs/dbraw/zinc/29/70/84/887297084.db2.gz MJRUPUUBBGWIMB-LURJTMIESA-N 1 2 295.303 -1.292 20 0 CAADLO C[C@H](CCNC(=O)c1cn[nH]n1)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001366481357 887302698 /nfs/dbraw/zinc/30/26/98/887302698.db2.gz WBJOQNLACBLVCP-SSDOTTSWSA-N 1 2 294.319 -1.475 20 0 CAADLO C[C@H](CCNC(=O)c1cnn[nH]1)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001366481357 887302709 /nfs/dbraw/zinc/30/27/09/887302709.db2.gz WBJOQNLACBLVCP-SSDOTTSWSA-N 1 2 294.319 -1.475 20 0 CAADLO C[N@H+](CCNC(=O)C(F)F)CC(=O)N1CCNC(=O)C1 ZINC001366504948 887304187 /nfs/dbraw/zinc/30/41/87/887304187.db2.gz IGARCVGDIBZUCA-UHFFFAOYSA-N 1 2 292.286 -1.742 20 0 CAADLO C[N@@H+](CCNC(=O)C(F)F)CC(=O)N1CCNC(=O)C1 ZINC001366504948 887304197 /nfs/dbraw/zinc/30/41/97/887304197.db2.gz IGARCVGDIBZUCA-UHFFFAOYSA-N 1 2 292.286 -1.742 20 0 CAADLO CCN(CC)C(=O)C[N@H+](C)CCNC(=O)Cn1cnnn1 ZINC001366502541 887306119 /nfs/dbraw/zinc/30/61/19/887306119.db2.gz CAEGQLXGPCMMSZ-UHFFFAOYSA-N 1 2 297.363 -1.411 20 0 CAADLO CCN(CC)C(=O)C[N@@H+](C)CCNC(=O)Cn1cnnn1 ZINC001366502541 887306136 /nfs/dbraw/zinc/30/61/36/887306136.db2.gz CAEGQLXGPCMMSZ-UHFFFAOYSA-N 1 2 297.363 -1.411 20 0 CAADLO CCN(C)C(=O)C[N@H+](C)CCNC(=O)[C@H]1COC(=O)N1 ZINC001366525134 887309572 /nfs/dbraw/zinc/30/95/72/887309572.db2.gz QYYGYELYOOBDSS-SECBINFHSA-N 1 2 286.332 -1.379 20 0 CAADLO CCNC(=O)C[N@H+](C)CCNC(=O)[C@@H]1CC(=O)N(C)C1 ZINC001366533468 887310859 /nfs/dbraw/zinc/31/08/59/887310859.db2.gz CHZZDSNFSMPXIV-SNVBAGLBSA-N 1 2 284.360 -1.351 20 0 CAADLO COC[C@@H](O)C[N@H+](C)CCNC(=O)CS(C)(=O)=O ZINC001366523660 887311000 /nfs/dbraw/zinc/31/10/00/887311000.db2.gz XOBVDTNEENLVEB-VIFPVBQESA-N 1 2 282.362 -1.914 20 0 CAADLO COC[C@@H](O)C[N@@H+](C)CCNC(=O)CS(C)(=O)=O ZINC001366523660 887311017 /nfs/dbraw/zinc/31/10/17/887311017.db2.gz XOBVDTNEENLVEB-VIFPVBQESA-N 1 2 282.362 -1.914 20 0 CAADLO COCCn1cc(C(=O)NCC[N@H+](C)CC(N)=O)cn1 ZINC001366584031 887313660 /nfs/dbraw/zinc/31/36/60/887313660.db2.gz DNHXJHQVYDGEGT-UHFFFAOYSA-N 1 2 283.332 -1.324 20 0 CAADLO COCCn1cc(C(=O)NCC[N@@H+](C)CC(N)=O)cn1 ZINC001366584031 887313673 /nfs/dbraw/zinc/31/36/73/887313673.db2.gz DNHXJHQVYDGEGT-UHFFFAOYSA-N 1 2 283.332 -1.324 20 0 CAADLO CNC(=O)C[N@H+](C)CCNC(=O)[C@@H](C)NS(C)(=O)=O ZINC001366567050 887313999 /nfs/dbraw/zinc/31/39/99/887313999.db2.gz JGGHAUULSQAJEH-MRVPVSSYSA-N 1 2 294.377 -2.282 20 0 CAADLO CNC(=O)C[N@@H+](C)CCNC(=O)[C@@H](C)NS(C)(=O)=O ZINC001366567050 887314016 /nfs/dbraw/zinc/31/40/16/887314016.db2.gz JGGHAUULSQAJEH-MRVPVSSYSA-N 1 2 294.377 -2.282 20 0 CAADLO C[N@H+](CCNC(=O)c1c[nH]c(=O)cn1)CC(=O)N1CCC1 ZINC001366561939 887314944 /nfs/dbraw/zinc/31/49/44/887314944.db2.gz LUBPMYUZZDGRPR-UHFFFAOYSA-N 1 2 293.327 -1.336 20 0 CAADLO C[N@@H+](CCNC(=O)c1c[nH]c(=O)cn1)CC(=O)N1CCC1 ZINC001366561939 887314954 /nfs/dbraw/zinc/31/49/54/887314954.db2.gz LUBPMYUZZDGRPR-UHFFFAOYSA-N 1 2 293.327 -1.336 20 0 CAADLO Cn1[nH]c(C[N@H+](C)CCNC(=O)[C@H]2[C@@H]3COC[C@@H]32)nc1=O ZINC001366557180 887317941 /nfs/dbraw/zinc/31/79/41/887317941.db2.gz FSENBGQMGGKVAD-JZYVYDRUSA-N 1 2 295.343 -1.451 20 0 CAADLO Cn1[nH]c(C[N@@H+](C)CCNC(=O)[C@H]2[C@@H]3COC[C@@H]32)nc1=O ZINC001366557180 887317954 /nfs/dbraw/zinc/31/79/54/887317954.db2.gz FSENBGQMGGKVAD-JZYVYDRUSA-N 1 2 295.343 -1.451 20 0 CAADLO CS(=O)(=O)CC(=O)NC[C@H]1CCC[N@@H+]1CCCO ZINC001366648038 887319521 /nfs/dbraw/zinc/31/95/21/887319521.db2.gz FUIYCPYJGQGDSS-SNVBAGLBSA-N 1 2 278.374 -1.006 20 0 CAADLO CS(=O)(=O)CC(=O)NC[C@H]1CCC[N@H+]1CCCO ZINC001366648038 887319532 /nfs/dbraw/zinc/31/95/32/887319532.db2.gz FUIYCPYJGQGDSS-SNVBAGLBSA-N 1 2 278.374 -1.006 20 0 CAADLO CC(=O)N1CCC[C@@H]1C(=O)NCC[N@@H+](C)CC(N)=O ZINC001366597048 887321560 /nfs/dbraw/zinc/32/15/60/887321560.db2.gz UTTQVEPREWIQSS-SNVBAGLBSA-N 1 2 270.333 -1.469 20 0 CAADLO CC(=O)N1CCC[C@@H]1C(=O)NCC[N@H+](C)CC(N)=O ZINC001366597048 887321575 /nfs/dbraw/zinc/32/15/75/887321575.db2.gz UTTQVEPREWIQSS-SNVBAGLBSA-N 1 2 270.333 -1.469 20 0 CAADLO CC[N@H+](CCNC(=O)Cc1nnc[nH]1)[C@H]1CCNC1=O ZINC001366640517 887324530 /nfs/dbraw/zinc/32/45/30/887324530.db2.gz YAURGGUPWBXLEY-VIFPVBQESA-N 1 2 280.332 -1.326 20 0 CAADLO CC[N@@H+](CCNC(=O)Cc1nnc[nH]1)[C@H]1CCNC1=O ZINC001366640517 887324536 /nfs/dbraw/zinc/32/45/36/887324536.db2.gz YAURGGUPWBXLEY-VIFPVBQESA-N 1 2 280.332 -1.326 20 0 CAADLO CCNC(=O)C[N@@H+]1CC[C@H](CNC(=O)Cc2nnc[nH]2)C1 ZINC001366710705 887328652 /nfs/dbraw/zinc/32/86/52/887328652.db2.gz OZZXKFNPIJHFSB-SNVBAGLBSA-N 1 2 294.359 -1.079 20 0 CAADLO CCNC(=O)C[N@H+]1CC[C@H](CNC(=O)Cc2nnc[nH]2)C1 ZINC001366710705 887328666 /nfs/dbraw/zinc/32/86/66/887328666.db2.gz OZZXKFNPIJHFSB-SNVBAGLBSA-N 1 2 294.359 -1.079 20 0 CAADLO C[C@@H](CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC(N)=O)NC(N)=O ZINC001366793580 887338386 /nfs/dbraw/zinc/33/83/86/887338386.db2.gz SKKCNRJGKXUTSF-LPEHRKFASA-N 1 2 297.359 -1.406 20 0 CAADLO C[C@@H](CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(N)=O)NC(N)=O ZINC001366793580 887338396 /nfs/dbraw/zinc/33/83/96/887338396.db2.gz SKKCNRJGKXUTSF-LPEHRKFASA-N 1 2 297.359 -1.406 20 0 CAADLO NC(=O)NC(=O)C[N@@H+]1CCC[C@@H](NC(=O)c2ncc[nH]2)C1 ZINC001366888397 887339974 /nfs/dbraw/zinc/33/99/74/887339974.db2.gz MPMYTVCXNAOZJC-MRVPVSSYSA-N 1 2 294.315 -1.201 20 0 CAADLO NC(=O)NC(=O)C[N@H+]1CCC[C@@H](NC(=O)c2ncc[nH]2)C1 ZINC001366888397 887339986 /nfs/dbraw/zinc/33/99/86/887339986.db2.gz MPMYTVCXNAOZJC-MRVPVSSYSA-N 1 2 294.315 -1.201 20 0 CAADLO CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)Cn2cncn2)C1 ZINC001366899527 887340504 /nfs/dbraw/zinc/34/05/04/887340504.db2.gz YYJPJVWASHAASF-LLVKDONJSA-N 1 2 294.359 -1.005 20 0 CAADLO CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)Cn2cncn2)C1 ZINC001366899527 887340515 /nfs/dbraw/zinc/34/05/15/887340515.db2.gz YYJPJVWASHAASF-LLVKDONJSA-N 1 2 294.359 -1.005 20 0 CAADLO NC(=O)NC(=O)C[N@@H+]1CCC[C@@H](NC(=O)c2cn[nH]c2)C1 ZINC001366887364 887341284 /nfs/dbraw/zinc/34/12/84/887341284.db2.gz CEDGVSPGCUVNMW-SECBINFHSA-N 1 2 294.315 -1.201 20 0 CAADLO NC(=O)NC(=O)C[N@H+]1CCC[C@@H](NC(=O)c2cn[nH]c2)C1 ZINC001366887364 887341291 /nfs/dbraw/zinc/34/12/91/887341291.db2.gz CEDGVSPGCUVNMW-SECBINFHSA-N 1 2 294.315 -1.201 20 0 CAADLO CN(CC(=O)N[C@@H]1CCC[N@H+](CC(N)=O)C1)C(=O)C1CC1 ZINC001366891191 887341377 /nfs/dbraw/zinc/34/13/77/887341377.db2.gz HPYQOQVKZDZKOW-LLVKDONJSA-N 1 2 296.371 -1.079 20 0 CAADLO CN(CC(=O)N[C@@H]1CCC[N@@H+](CC(N)=O)C1)C(=O)C1CC1 ZINC001366891191 887341391 /nfs/dbraw/zinc/34/13/91/887341391.db2.gz HPYQOQVKZDZKOW-LLVKDONJSA-N 1 2 296.371 -1.079 20 0 CAADLO C[C@H](O)C[NH+]1CC(NC(=O)CNC(=O)c2ccncc2)C1 ZINC001366918119 887344047 /nfs/dbraw/zinc/34/40/47/887344047.db2.gz CGMVIWAEGHHMKU-JTQLQIEISA-N 1 2 292.339 -1.007 20 0 CAADLO CCS(=O)(=O)N[C@@H](C)C(=O)NC1C[NH+](C[C@H](C)O)C1 ZINC001366921688 887344765 /nfs/dbraw/zinc/34/47/65/887344765.db2.gz NPIIGYPSGNABHR-IUCAKERBSA-N 1 2 293.389 -1.505 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(NC(=O)C[C@@H]2CCC(=O)NC2)C1 ZINC001366926962 887344793 /nfs/dbraw/zinc/34/47/93/887344793.db2.gz OGZIITJDIYEPRQ-JQWIXIFHSA-N 1 2 299.371 -1.290 20 0 CAADLO CCS(=O)(=O)N[C@H](C)C(=O)NC1C[NH+](C[C@H](C)O)C1 ZINC001366921687 887345446 /nfs/dbraw/zinc/34/54/46/887345446.db2.gz NPIIGYPSGNABHR-DTWKUNHWSA-N 1 2 293.389 -1.505 20 0 CAADLO COC[C@@H](OC)C(=O)NC1C[NH+](C[C@H](O)COC)C1 ZINC001366939911 887347082 /nfs/dbraw/zinc/34/70/82/887347082.db2.gz IRCKNLYRJASOHV-WDEREUQCSA-N 1 2 276.333 -1.545 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(NC(=O)Cn2ncn(C)c2=O)C1 ZINC001366929636 887347710 /nfs/dbraw/zinc/34/77/10/887347710.db2.gz WYVVOCZJWPTDNE-JTQLQIEISA-N 1 2 299.331 -2.611 20 0 CAADLO CC(C)OCC[NH+]1CC(NC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001366934336 887348786 /nfs/dbraw/zinc/34/87/86/887348786.db2.gz FDDDSEQQTOZDAN-JTQLQIEISA-N 1 2 298.343 -1.190 20 0 CAADLO Cn1c[nH+]cc1CN1CC(NC(=O)CCNC(N)=O)C1 ZINC001366948589 887348849 /nfs/dbraw/zinc/34/88/49/887348849.db2.gz IVSGAUWBNHFIDF-UHFFFAOYSA-N 1 2 280.332 -1.221 20 0 CAADLO Cn1cc(C(=O)NCC2C[NH+](CC(=O)NC(N)=O)C2)nn1 ZINC001366964770 887350196 /nfs/dbraw/zinc/35/01/96/887350196.db2.gz PDQSTLRNLUTHDJ-UHFFFAOYSA-N 1 2 295.303 -2.328 20 0 CAADLO CCNC(=O)C[NH+]1CC(CNC(=O)[C@H]2CC[C@@H]2C(N)=O)C1 ZINC001366970802 887350695 /nfs/dbraw/zinc/35/06/95/887350695.db2.gz FMQCJZNNCZSPDL-QWRGUYRKSA-N 1 2 296.371 -1.318 20 0 CAADLO CCNC(=O)C[NH+]1CC(CNC(=O)Cn2cnnn2)C1 ZINC001366955454 887351342 /nfs/dbraw/zinc/35/13/42/887351342.db2.gz MBNWIDCNZBYZNK-UHFFFAOYSA-N 1 2 281.320 -2.143 20 0 CAADLO CCNC(=O)C[NH+]1CC(CNC(=O)C2CN(C(C)=O)C2)C1 ZINC001366959701 887351633 /nfs/dbraw/zinc/35/16/33/887351633.db2.gz IMENNUMSHGUGHA-UHFFFAOYSA-N 1 2 296.371 -1.351 20 0 CAADLO COCC(=O)NCC1C[NH+](CCNS(C)(=O)=O)C1 ZINC001366958230 887351666 /nfs/dbraw/zinc/35/16/66/887351666.db2.gz VDENJPUBARLARA-UHFFFAOYSA-N 1 2 279.362 -1.770 20 0 CAADLO CCNC(=O)C[NH+]1CC(CNC(=O)[C@@H]2CC[C@H]2C(N)=O)C1 ZINC001366970796 887351746 /nfs/dbraw/zinc/35/17/46/887351746.db2.gz FMQCJZNNCZSPDL-GHMZBOCLSA-N 1 2 296.371 -1.318 20 0 CAADLO CCNC(=O)C[NH+]1CC(CNC(=O)c2nccnc2N)C1 ZINC001366965097 887351771 /nfs/dbraw/zinc/35/17/71/887351771.db2.gz ZJZVGCZGWQXNTG-UHFFFAOYSA-N 1 2 292.343 -1.144 20 0 CAADLO Cn1cnn(CC(=O)NCC2C[NH+](CC(N)=O)C2)c1=O ZINC001366968957 887352074 /nfs/dbraw/zinc/35/20/74/887352074.db2.gz CKGCUAOCOXTOIF-UHFFFAOYSA-N 1 2 282.304 -2.885 20 0 CAADLO CC(=O)N[C@H](C)C(=O)NCC1C[NH+](CC(=O)N(C)C)C1 ZINC001366961633 887352266 /nfs/dbraw/zinc/35/22/66/887352266.db2.gz HJQAUKMDHQMGRS-SECBINFHSA-N 1 2 284.360 -1.353 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(NC(=O)c2c[nH]c(C(N)=O)c2)C1 ZINC001366952512 887352346 /nfs/dbraw/zinc/35/23/46/887352346.db2.gz YVRQUMJMSKZQKK-JTQLQIEISA-N 1 2 296.327 -1.465 20 0 CAADLO C[C@@H](C(N)=O)[NH+]1CC(CNC(=O)CN2CCOCC2=O)C1 ZINC001366968560 887352443 /nfs/dbraw/zinc/35/24/43/887352443.db2.gz FBYQHZCUTOKFPT-VIFPVBQESA-N 1 2 298.343 -2.233 20 0 CAADLO CC(=O)N[C@@H](C)C(=O)NCC1C[NH+](CC(=O)N(C)C)C1 ZINC001366961638 887352629 /nfs/dbraw/zinc/35/26/29/887352629.db2.gz HJQAUKMDHQMGRS-VIFPVBQESA-N 1 2 284.360 -1.353 20 0 CAADLO CCNC(=O)C[NH+]1CC(CNC(=O)[C@H]2COCCO2)C1 ZINC001366957030 887352981 /nfs/dbraw/zinc/35/29/81/887352981.db2.gz FAJPQCRIODYTJE-LLVKDONJSA-N 1 2 285.344 -1.414 20 0 CAADLO COCC(=O)NCC1C[NH+](CC(=O)N2CCO[C@H](C)C2)C1 ZINC001366956593 887353296 /nfs/dbraw/zinc/35/32/96/887353296.db2.gz KMSFGDYNJJQKFX-LLVKDONJSA-N 1 2 299.371 -1.072 20 0 CAADLO CNC(=O)C[NH+]1CC(CNC(=O)CNC(=O)C2CC2)C1 ZINC001366958929 887353328 /nfs/dbraw/zinc/35/33/28/887353328.db2.gz ZZNUNOYVCXXQIV-UHFFFAOYSA-N 1 2 282.344 -1.693 20 0 CAADLO COC(=O)NCC(=O)NCC1C[NH+](CC(=O)N2CCC2)C1 ZINC001366958613 887353697 /nfs/dbraw/zinc/35/36/97/887353697.db2.gz UXWGEKKKGOINTO-UHFFFAOYSA-N 1 2 298.343 -1.377 20 0 CAADLO CCNC(=O)C[NH+]1CC(CNC(=O)[C@H]2CC[C@H]2C(N)=O)C1 ZINC001366970800 887353754 /nfs/dbraw/zinc/35/37/54/887353754.db2.gz FMQCJZNNCZSPDL-MNOVXSKESA-N 1 2 296.371 -1.318 20 0 CAADLO CNC(=O)NC(=O)C[N@@H+]1CC[C@H](NC(=O)CNC(C)=O)C1 ZINC001367002760 887354637 /nfs/dbraw/zinc/35/46/37/887354637.db2.gz KHWDAMLWUSVHNA-VIFPVBQESA-N 1 2 299.331 -2.231 20 0 CAADLO CNC(=O)NC(=O)C[N@H+]1CC[C@H](NC(=O)CNC(C)=O)C1 ZINC001367002760 887354651 /nfs/dbraw/zinc/35/46/51/887354651.db2.gz KHWDAMLWUSVHNA-VIFPVBQESA-N 1 2 299.331 -2.231 20 0 CAADLO NC(=O)CCCC(=O)NCC1C[NH+]([C@@H]2CCNC2=O)C1 ZINC001366994149 887354675 /nfs/dbraw/zinc/35/46/75/887354675.db2.gz YJDSBTGFDURIRR-SNVBAGLBSA-N 1 2 282.344 -1.422 20 0 CAADLO CO[C@H]1COCC[C@@H]1CC(=O)NCC1C[NH+](CC(N)=O)C1 ZINC001366972865 887355001 /nfs/dbraw/zinc/35/50/01/887355001.db2.gz KOFJXXYOLUEQFB-NEPJUHHUSA-N 1 2 299.371 -1.039 20 0 CAADLO CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CN2CCOCC2)C1 ZINC001367005112 887355684 /nfs/dbraw/zinc/35/56/84/887355684.db2.gz BBUIYKJKXDWDQN-LBPRGKRZSA-N 1 2 298.387 -1.355 20 0 CAADLO CCNC(=O)C[N@H+]1CC[C@H](NC(=O)CN2CCOCC2)C1 ZINC001367005112 887355688 /nfs/dbraw/zinc/35/56/88/887355688.db2.gz BBUIYKJKXDWDQN-LBPRGKRZSA-N 1 2 298.387 -1.355 20 0 CAADLO Cc1cc(C(=O)N[C@H]2CC[N@H+](CC(=O)NC(N)=O)C2)[nH]n1 ZINC001367004852 887356015 /nfs/dbraw/zinc/35/60/15/887356015.db2.gz ZJAFTWFUKBSTBP-QMMMGPOBSA-N 1 2 294.315 -1.283 20 0 CAADLO Cc1cc(C(=O)N[C@H]2CC[N@@H+](CC(=O)NC(N)=O)C2)[nH]n1 ZINC001367004852 887356026 /nfs/dbraw/zinc/35/60/26/887356026.db2.gz ZJAFTWFUKBSTBP-QMMMGPOBSA-N 1 2 294.315 -1.283 20 0 CAADLO CC[C@H](C(N)=O)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CNC(=O)NC ZINC001366997695 887356065 /nfs/dbraw/zinc/35/60/65/887356065.db2.gz KONFXHDAMRXSAB-LPEHRKFASA-N 1 2 297.359 -1.536 20 0 CAADLO CC[C@H](C(N)=O)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CNC(=O)NC ZINC001366997695 887356075 /nfs/dbraw/zinc/35/60/75/887356075.db2.gz KONFXHDAMRXSAB-LPEHRKFASA-N 1 2 297.359 -1.536 20 0 CAADLO C[C@H](CC(N)=O)C(=O)NCC1C[NH+](CC(=O)NC2CC2)C1 ZINC001366976647 887356502 /nfs/dbraw/zinc/35/65/02/887356502.db2.gz UJZKNDDXUVSYJA-SECBINFHSA-N 1 2 296.371 -1.176 20 0 CAADLO CC(=O)N(C)CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@H]1CCNC1=O ZINC001367000248 887356675 /nfs/dbraw/zinc/35/66/75/887356675.db2.gz HYQMBTFENOPTIE-SRVKXCTJSA-N 1 2 294.355 -1.362 20 0 CAADLO CC(=O)N(C)CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2[C@H]1CCNC1=O ZINC001367000248 887356691 /nfs/dbraw/zinc/35/66/91/887356691.db2.gz HYQMBTFENOPTIE-SRVKXCTJSA-N 1 2 294.355 -1.362 20 0 CAADLO CNC(=O)C[NH+]1CC(CNC(=O)COC[C@@H]2CCCO2)C1 ZINC001366989976 887357271 /nfs/dbraw/zinc/35/72/71/887357271.db2.gz CFCWIRFQZKJBRF-LBPRGKRZSA-N 1 2 299.371 -1.024 20 0 CAADLO CC(C)NC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H]2COC(=O)N2)C1 ZINC001367003623 887357331 /nfs/dbraw/zinc/35/73/31/887357331.db2.gz BJLRGKWROVSBMZ-VHSXEESVSA-N 1 2 298.343 -1.190 20 0 CAADLO CC(C)NC(=O)C[N@H+]1CC[C@H](NC(=O)[C@H]2COC(=O)N2)C1 ZINC001367003623 887357350 /nfs/dbraw/zinc/35/73/50/887357350.db2.gz BJLRGKWROVSBMZ-VHSXEESVSA-N 1 2 298.343 -1.190 20 0 CAADLO CCCNC(=O)C[NH+]1CC(CNC(=O)Cn2cncn2)C1 ZINC001366990438 887357506 /nfs/dbraw/zinc/35/75/06/887357506.db2.gz PWLWIYUJHMWLSH-UHFFFAOYSA-N 1 2 294.359 -1.148 20 0 CAADLO CCO[C@H](C(=O)NCC1C[NH+](CC(N)=O)C1)[C@H]1CCOC1 ZINC001366973092 887357546 /nfs/dbraw/zinc/35/75/46/887357546.db2.gz PMSAYQYLZCJILP-AAEUAGOBSA-N 1 2 299.371 -1.039 20 0 CAADLO C[C@@H](C(N)=O)[NH+]1CC(CNC(=O)CCc2cn(C)nn2)C1 ZINC001366989744 887357832 /nfs/dbraw/zinc/35/78/32/887357832.db2.gz AKARNRZTHXKKKI-VIFPVBQESA-N 1 2 294.359 -1.331 20 0 CAADLO CC[C@@H](C(N)=O)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CNC(=O)NC ZINC001366997689 887358326 /nfs/dbraw/zinc/35/83/26/887358326.db2.gz KONFXHDAMRXSAB-GUBZILKMSA-N 1 2 297.359 -1.536 20 0 CAADLO CC[C@@H](C(N)=O)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CNC(=O)NC ZINC001366997689 887358336 /nfs/dbraw/zinc/35/83/36/887358336.db2.gz KONFXHDAMRXSAB-GUBZILKMSA-N 1 2 297.359 -1.536 20 0 CAADLO C[C@H](C(N)=O)[NH+]1CC(CNC(=O)CCCn2cncn2)C1 ZINC001366986604 887358594 /nfs/dbraw/zinc/35/85/94/887358594.db2.gz KKNRZQOPQWUWIY-SNVBAGLBSA-N 1 2 294.359 -1.020 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)CCc2nnc[nH]2)C1 ZINC001367008533 887359212 /nfs/dbraw/zinc/35/92/12/887359212.db2.gz JADMCVBMTAZTHC-IUCAKERBSA-N 1 2 280.332 -1.198 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)CCc2nnc[nH]2)C1 ZINC001367008533 887359229 /nfs/dbraw/zinc/35/92/29/887359229.db2.gz JADMCVBMTAZTHC-IUCAKERBSA-N 1 2 280.332 -1.198 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)CCn2cnccc2=O)C1 ZINC001367019977 887359587 /nfs/dbraw/zinc/35/95/87/887359587.db2.gz RXUNJIMFQYVXPA-JTQLQIEISA-N 1 2 293.327 -1.691 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)CCn2cnccc2=O)C1 ZINC001367019977 887359601 /nfs/dbraw/zinc/35/96/01/887359601.db2.gz RXUNJIMFQYVXPA-JTQLQIEISA-N 1 2 293.327 -1.691 20 0 CAADLO CCCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CNC(=O)NC)C1 ZINC001367011255 887361317 /nfs/dbraw/zinc/36/13/17/887361317.db2.gz SIEDOZWHECZTDE-JTQLQIEISA-N 1 2 299.375 -1.368 20 0 CAADLO CCCNC(=O)C[N@H+]1CC[C@H](NC(=O)CNC(=O)NC)C1 ZINC001367011255 887361334 /nfs/dbraw/zinc/36/13/34/887361334.db2.gz SIEDOZWHECZTDE-JTQLQIEISA-N 1 2 299.375 -1.368 20 0 CAADLO CC(=O)NCC(=O)N[C@@H]1CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001367024239 887362121 /nfs/dbraw/zinc/36/21/21/887362121.db2.gz OBSFNKBSQYOMKS-MRVPVSSYSA-N 1 2 285.304 -2.492 20 0 CAADLO CC(=O)NCC(=O)N[C@@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001367024239 887362126 /nfs/dbraw/zinc/36/21/26/887362126.db2.gz OBSFNKBSQYOMKS-MRVPVSSYSA-N 1 2 285.304 -2.492 20 0 CAADLO Cn1cncc1C(=O)N[C@@H]1CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001367030219 887362330 /nfs/dbraw/zinc/36/23/30/887362330.db2.gz OZSPVFNDXDYFLT-MRVPVSSYSA-N 1 2 294.315 -1.581 20 0 CAADLO Cn1cncc1C(=O)N[C@@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001367030219 887362340 /nfs/dbraw/zinc/36/23/40/887362340.db2.gz OZSPVFNDXDYFLT-MRVPVSSYSA-N 1 2 294.315 -1.581 20 0 CAADLO CCNC(=O)NC(=O)C[N@@H+]1CC[C@@H](NC(=O)COC)C1 ZINC001367022456 887363025 /nfs/dbraw/zinc/36/30/25/887363025.db2.gz IDHRJOFWBQLKLJ-SECBINFHSA-N 1 2 286.332 -1.331 20 0 CAADLO CCNC(=O)NC(=O)C[N@H+]1CC[C@@H](NC(=O)COC)C1 ZINC001367022456 887363037 /nfs/dbraw/zinc/36/30/37/887363037.db2.gz IDHRJOFWBQLKLJ-SECBINFHSA-N 1 2 286.332 -1.331 20 0 CAADLO CC(=O)NCC(=O)NC[C@@H](C)C[NH2+]CC(=O)NC(C)C ZINC001367232188 887369306 /nfs/dbraw/zinc/36/93/06/887369306.db2.gz VBGKKNWLHIAMMI-JTQLQIEISA-N 1 2 286.376 -1.011 20 0 CAADLO C[C@@H](O)C[NH2+]C[C@H]1CCCN1C(=O)C1CS(=O)(=O)C1 ZINC001367215509 887369057 /nfs/dbraw/zinc/36/90/57/887369057.db2.gz OLHNXBLJISJSAI-MWLCHTKSSA-N 1 2 290.385 -1.008 20 0 CAADLO CNC(=O)C[NH2+]CC1(NC(=O)[C@H]2COC(=O)N2)CCCC1 ZINC001367149043 887369129 /nfs/dbraw/zinc/36/91/29/887369129.db2.gz CLIVPOKNQIEDJK-SECBINFHSA-N 1 2 298.343 -1.141 20 0 CAADLO CC(=O)NCC(=O)NC[C@@H](C)C[NH2+][C@H]1CCCNC1=O ZINC001367231558 887369145 /nfs/dbraw/zinc/36/91/45/887369145.db2.gz RYALVHKBQJNLNG-ONGXEEELSA-N 1 2 284.360 -1.257 20 0 CAADLO C[C@@H](CNC(=O)[C@H]1CCC(=O)N1)C[NH2+]Cc1ncnn1C ZINC001367232028 887369194 /nfs/dbraw/zinc/36/91/94/887369194.db2.gz HBPRIFZJLYINCZ-NXEZZACHSA-N 1 2 294.359 -1.064 20 0 CAADLO CNC(=O)C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CNC(=O)N1 ZINC001367219697 887369265 /nfs/dbraw/zinc/36/92/65/887369265.db2.gz HIZPRJOYUBENOH-BDAKNGLRSA-N 1 2 283.332 -2.006 20 0 CAADLO CCNC(=O)C[NH2+]C[C@H]1CCCN1C(=O)CCNC(N)=O ZINC001367225879 887369282 /nfs/dbraw/zinc/36/92/82/887369282.db2.gz HYUPQDWQGWHANK-SNVBAGLBSA-N 1 2 299.375 -1.239 20 0 CAADLO CC[C@H](CNC(=O)CCn1cnnn1)[NH2+]CC(=O)N(C)C ZINC001367142826 887369291 /nfs/dbraw/zinc/36/92/91/887369291.db2.gz SHJOQGZKDWBENI-SNVBAGLBSA-N 1 2 297.363 -1.364 20 0 CAADLO C[C@H](CNC(=O)c1nccnc1N)C[NH2+][C@H]1CCNC1=O ZINC001367235300 887369357 /nfs/dbraw/zinc/36/93/57/887369357.db2.gz AJEKQVJUAXDZAP-IUCAKERBSA-N 1 2 292.343 -1.097 20 0 CAADLO CNC(=O)C[NH2+]C[C@H]1CCCN1C(=O)CCn1cncn1 ZINC001367214542 887369435 /nfs/dbraw/zinc/36/94/35/887369435.db2.gz FZXJJNPGHUIJKZ-LLVKDONJSA-N 1 2 294.359 -1.005 20 0 CAADLO CC[C@H](CNC(=O)[C@@H]1CCC(=O)N1)[NH2+]C[C@@H](O)COC ZINC001367133066 887369469 /nfs/dbraw/zinc/36/94/69/887369469.db2.gz NGWYSBGUQZEVTD-MXWKQRLJSA-N 1 2 287.360 -1.243 20 0 CAADLO C[C@@H](CC(N)=O)C(=O)N1CCC[C@@H]1C[NH2+]CC(N)=O ZINC001367221412 887369506 /nfs/dbraw/zinc/36/95/06/887369506.db2.gz IFNUKHZEDDYERF-DTWKUNHWSA-N 1 2 270.333 -1.436 20 0 CAADLO C[C@@H]([NH2+]C[C@](C)(NC(=O)Cn1ncnn1)C1CC1)C(N)=O ZINC001367186787 887369675 /nfs/dbraw/zinc/36/96/75/887369675.db2.gz OPCMIUIGFCPZIX-PELKAZGASA-N 1 2 295.347 -1.579 20 0 CAADLO C[C@@](C[NH2+]CC(N)=O)(NC(=O)[C@@H]1CNC(=O)N1)C1CC1 ZINC001367191418 887370120 /nfs/dbraw/zinc/37/01/20/887370120.db2.gz OHLYRNZKPVDZHK-UFBFGSQYSA-N 1 2 283.332 -1.972 20 0 CAADLO C[C@H](O)C[NH2+]C[C@@](C)(NC(=O)Cn1ncnn1)C1CC1 ZINC001367182628 887369849 /nfs/dbraw/zinc/36/98/49/887369849.db2.gz KZLBQODFAWYSEJ-JOYOIKCWSA-N 1 2 282.348 -1.072 20 0 CAADLO CO[C@H](C)CC(=O)NC[C@@H](C)C[NH2+]CC(=O)NC(N)=O ZINC001367233266 887369867 /nfs/dbraw/zinc/36/98/67/887369867.db2.gz JUJUDIWVMPHEAT-DTWKUNHWSA-N 1 2 288.348 -1.052 20 0 CAADLO CCn1nncc1C(=O)N1CCC[C@@H]1C[NH2+]CC(N)=O ZINC001367214465 887369904 /nfs/dbraw/zinc/36/99/04/887369904.db2.gz JZUPUEIMSNIBHI-SECBINFHSA-N 1 2 280.332 -1.023 20 0 CAADLO COC[C@H](O)C[NH2+]C[C@H]1CCCN1C(=O)Cc1nnc[nH]1 ZINC001367224353 887369935 /nfs/dbraw/zinc/36/99/35/887369935.db2.gz FBHSDOVDYBCMJF-GHMZBOCLSA-N 1 2 297.359 -1.065 20 0 CAADLO COC[C@H](O)C[NH2+]C[C@H]1CCCN1C(=O)Cc1ncn[nH]1 ZINC001367224353 887369951 /nfs/dbraw/zinc/36/99/51/887369951.db2.gz FBHSDOVDYBCMJF-GHMZBOCLSA-N 1 2 297.359 -1.065 20 0 CAADLO CC(=O)NCC(=O)N1CCC2(CC[N@H+](CC(N)=O)C2)CC1 ZINC001367226851 887370001 /nfs/dbraw/zinc/37/00/01/887370001.db2.gz RNPQXQPVOIXBHA-UHFFFAOYSA-N 1 2 296.371 -1.078 20 0 CAADLO CC(=O)NCC(=O)N1CCC2(CC[N@@H+](CC(N)=O)C2)CC1 ZINC001367226851 887370016 /nfs/dbraw/zinc/37/00/16/887370016.db2.gz RNPQXQPVOIXBHA-UHFFFAOYSA-N 1 2 296.371 -1.078 20 0 CAADLO CC(C)OCC(=O)NC[C@H](C)C[NH2+]CC(=O)NC(N)=O ZINC001367238222 887370050 /nfs/dbraw/zinc/37/00/50/887370050.db2.gz MLQPFQAFTLYVBS-SECBINFHSA-N 1 2 288.348 -1.052 20 0 CAADLO CNC(=O)C[NH2+]C[C@](C)(NC(=O)Cn1cnnn1)C1CC1 ZINC001367167185 887370070 /nfs/dbraw/zinc/37/00/70/887370070.db2.gz SQFJYAGFYZDOHF-LBPRGKRZSA-N 1 2 295.347 -1.706 20 0 CAADLO CC(C)OCC(=O)NC[C@@H](C)C[NH2+]CC(=O)NC(N)=O ZINC001367238226 887370109 /nfs/dbraw/zinc/37/01/09/887370109.db2.gz MLQPFQAFTLYVBS-VIFPVBQESA-N 1 2 288.348 -1.052 20 0 CAADLO CNC(=O)C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1COCCO1 ZINC001367217988 887370153 /nfs/dbraw/zinc/37/01/53/887370153.db2.gz UYBFMUCGHBUNCU-MNOVXSKESA-N 1 2 285.344 -1.272 20 0 CAADLO CC[C@@H](CNC(=O)CCc1cn(C)nn1)[NH2+]CC(=O)NC ZINC001367152808 887370255 /nfs/dbraw/zinc/37/02/55/887370255.db2.gz NAABFURWRLAEAO-JTQLQIEISA-N 1 2 296.375 -1.022 20 0 CAADLO CC[C@@H](CNC(=O)CCNC(N)=O)[NH2+][C@H]1CCN(C)C1=O ZINC001367136886 887370376 /nfs/dbraw/zinc/37/03/76/887370376.db2.gz KZTAIUPIKVMTNR-UWVGGRQHSA-N 1 2 299.375 -1.240 20 0 CAADLO CC[C@H]([NH2+]C[C@H]1CCCN1C(=O)Cn1cnnn1)C(N)=O ZINC001367215462 887370491 /nfs/dbraw/zinc/37/04/91/887370491.db2.gz IUPKWILEXDWCQY-ZJUUUORDSA-N 1 2 295.347 -1.482 20 0 CAADLO CCC(=O)NC[C@@H](C)C[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001367231620 887370561 /nfs/dbraw/zinc/37/05/61/887370561.db2.gz WIBBDEUAOHVJLB-JTQLQIEISA-N 1 2 284.360 -1.303 20 0 CAADLO CC(=O)NCC(=O)NC[C@@H](C)C[NH2+][C@@H]1CCCNC1=O ZINC001367231552 887370572 /nfs/dbraw/zinc/37/05/72/887370572.db2.gz RYALVHKBQJNLNG-GXSJLCMTSA-N 1 2 284.360 -1.257 20 0 CAADLO CNC(=O)C[NH2+]CC1(NC(=O)[C@@H]2COC(=O)N2)CCCC1 ZINC001367149045 887370586 /nfs/dbraw/zinc/37/05/86/887370586.db2.gz CLIVPOKNQIEDJK-VIFPVBQESA-N 1 2 298.343 -1.141 20 0 CAADLO CC[C@@H](CNC(=O)CCNC(N)=O)[NH2+][C@@H]1CCN(C)C1=O ZINC001367136894 887370607 /nfs/dbraw/zinc/37/06/07/887370607.db2.gz KZTAIUPIKVMTNR-VHSXEESVSA-N 1 2 299.375 -1.240 20 0 CAADLO CC(=O)NCC(=O)N1CCC[C@@H]1C[NH2+]Cc1nnn(C)n1 ZINC001367216130 887370636 /nfs/dbraw/zinc/37/06/36/887370636.db2.gz JGDROZXDSLEIBA-SNVBAGLBSA-N 1 2 295.347 -1.573 20 0 CAADLO CC[C@H](CNC(=O)[C@]1(C)CCC(=O)NC1)[NH2+]CC(N)=O ZINC001367154625 887370662 /nfs/dbraw/zinc/37/06/62/887370662.db2.gz CPYQAVSJBCXIMH-NOZJJQNGSA-N 1 2 284.360 -1.128 20 0 CAADLO CC[C@@H](CNC(=O)c1nnc[nH]1)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001367125385 887370692 /nfs/dbraw/zinc/37/06/92/887370692.db2.gz QMMAQCFLAGMQIZ-ZETCQYMHSA-N 1 2 294.319 -1.475 20 0 CAADLO CC[C@@H](CNC(=O)c1ncn[nH]1)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001367125385 887370700 /nfs/dbraw/zinc/37/07/00/887370700.db2.gz QMMAQCFLAGMQIZ-ZETCQYMHSA-N 1 2 294.319 -1.475 20 0 CAADLO CC[C@@H](CNC(=O)Cn1cncn1)[NH2+][C@H](C)C(=O)NC ZINC001367142568 887370713 /nfs/dbraw/zinc/37/07/13/887370713.db2.gz VSXOIWLWSHBWJL-ZJUUUORDSA-N 1 2 282.348 -1.103 20 0 CAADLO CC[C@H](CNC(=O)c1cn(CC(N)=O)nn1)[NH2+]C[C@@H](C)O ZINC001367151285 887370759 /nfs/dbraw/zinc/37/07/59/887370759.db2.gz SFZQAXGGUJZXRL-RKDXNWHRSA-N 1 2 298.347 -1.758 20 0 CAADLO CN(C)C(=O)C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CNC(=O)N1 ZINC001367219650 887370769 /nfs/dbraw/zinc/37/07/69/887370769.db2.gz FXGOPKBLSACYQW-ZJUUUORDSA-N 1 2 297.359 -1.663 20 0 CAADLO NC(=O)C[NH+]1CCC(CCNC(=O)[C@@H]2COC(=O)N2)CC1 ZINC001367208434 887370780 /nfs/dbraw/zinc/37/07/80/887370780.db2.gz RGLDBYQJHLGHHZ-JTQLQIEISA-N 1 2 298.343 -1.202 20 0 CAADLO CC[C@@H](CNC(=O)CCn1cnnn1)[NH2+]CC(=O)N(C)C ZINC001367142825 887370817 /nfs/dbraw/zinc/37/08/17/887370817.db2.gz SHJOQGZKDWBENI-JTQLQIEISA-N 1 2 297.363 -1.364 20 0 CAADLO C[C@@H](CNC(=O)c1nccnc1N)C[NH2+][C@H]1CCNC1=O ZINC001367235286 887370893 /nfs/dbraw/zinc/37/08/93/887370893.db2.gz AJEKQVJUAXDZAP-BDAKNGLRSA-N 1 2 292.343 -1.097 20 0 CAADLO CC[C@@H](CNC(=O)[C@@H]1CCC(=O)N1)[NH2+]C[C@H](O)COC ZINC001367133064 887370914 /nfs/dbraw/zinc/37/09/14/887370914.db2.gz NGWYSBGUQZEVTD-DCAQKATOSA-N 1 2 287.360 -1.243 20 0 CAADLO COC[C@@H](O)C[NH2+]C[C@H]1CCCN1C(=O)Cn1ncnn1 ZINC001367216714 887371051 /nfs/dbraw/zinc/37/10/51/887371051.db2.gz WVGDUXSGFRERJX-MNOVXSKESA-N 1 2 298.347 -1.739 20 0 CAADLO C[C@@H](O)C[N@@H+]1CCO[C@H](CNC(=O)Cc2nc[nH]n2)C1 ZINC001367322392 887375314 /nfs/dbraw/zinc/37/53/14/887375314.db2.gz ZNNSVCPBHNIASI-NXEZZACHSA-N 1 2 283.332 -1.455 20 0 CAADLO C[C@@H](O)C[N@H+]1CCO[C@H](CNC(=O)Cc2nc[nH]n2)C1 ZINC001367322392 887375327 /nfs/dbraw/zinc/37/53/27/887375327.db2.gz ZNNSVCPBHNIASI-NXEZZACHSA-N 1 2 283.332 -1.455 20 0 CAADLO O=C(NC[C@@H]1C[N@H+](CCO)CCO1)[C@@]1(F)CCOC1 ZINC001367300572 887375824 /nfs/dbraw/zinc/37/58/24/887375824.db2.gz FAGYGQIKWQYSLD-ZYHUDNBSSA-N 1 2 276.308 -1.076 20 0 CAADLO O=C(NC[C@@H]1C[N@@H+](CCO)CCO1)[C@@]1(F)CCOC1 ZINC001367300572 887375837 /nfs/dbraw/zinc/37/58/37/887375837.db2.gz FAGYGQIKWQYSLD-ZYHUDNBSSA-N 1 2 276.308 -1.076 20 0 CAADLO O=C(NC[C@H]1C[N@H+](CCO)CCO1)[C@@]1(F)CCOC1 ZINC001367300444 887376447 /nfs/dbraw/zinc/37/64/47/887376447.db2.gz FAGYGQIKWQYSLD-CMPLNLGQSA-N 1 2 276.308 -1.076 20 0 CAADLO O=C(NC[C@H]1C[N@@H+](CCO)CCO1)[C@@]1(F)CCOC1 ZINC001367300444 887376455 /nfs/dbraw/zinc/37/64/55/887376455.db2.gz FAGYGQIKWQYSLD-CMPLNLGQSA-N 1 2 276.308 -1.076 20 0 CAADLO C[C@H](C(N)=O)N1CCO[C@@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001367305532 887376929 /nfs/dbraw/zinc/37/69/29/887376929.db2.gz FHMKUBVVMMLASP-MNOVXSKESA-N 1 2 295.343 -1.426 20 0 CAADLO C[C@H](O)C[N@@H+]1CCO[C@@H](CNC(=O)Cc2nc[nH]n2)C1 ZINC001367322395 887377551 /nfs/dbraw/zinc/37/75/51/887377551.db2.gz ZNNSVCPBHNIASI-UWVGGRQHSA-N 1 2 283.332 -1.455 20 0 CAADLO C[C@H](O)C[N@H+]1CCO[C@@H](CNC(=O)Cc2nc[nH]n2)C1 ZINC001367322395 887377564 /nfs/dbraw/zinc/37/75/64/887377564.db2.gz ZNNSVCPBHNIASI-UWVGGRQHSA-N 1 2 283.332 -1.455 20 0 CAADLO C[C@H](C(N)=O)N1CCO[C@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001367305527 887378746 /nfs/dbraw/zinc/37/87/46/887378746.db2.gz FHMKUBVVMMLASP-GHMZBOCLSA-N 1 2 295.343 -1.426 20 0 CAADLO C[C@@H](C[NH2+]Cc1nc(=O)n(C)[nH]1)N(C)C(=O)c1cn[nH]n1 ZINC001367366537 887381768 /nfs/dbraw/zinc/38/17/68/887381768.db2.gz DWQNVVQTUDICLE-ZETCQYMHSA-N 1 2 294.319 -1.523 20 0 CAADLO CN(CC[N@H+](C)CC(N)=O)C(=O)C[C@H]1COC(=O)C1 ZINC001367506952 887384834 /nfs/dbraw/zinc/38/48/34/887384834.db2.gz KQNHJTCKFLYKSJ-SECBINFHSA-N 1 2 271.317 -1.185 20 0 CAADLO CN(CC[N@@H+](C)CC(N)=O)C(=O)C[C@H]1COC(=O)C1 ZINC001367506952 887384844 /nfs/dbraw/zinc/38/48/44/887384844.db2.gz KQNHJTCKFLYKSJ-SECBINFHSA-N 1 2 271.317 -1.185 20 0 CAADLO COc1cc(C(=O)N(C)CC[N@H+](C)CC(N)=O)ncn1 ZINC001367519265 887385975 /nfs/dbraw/zinc/38/59/75/887385975.db2.gz WGPONTXOWKENNE-UHFFFAOYSA-N 1 2 281.316 -1.026 20 0 CAADLO COc1cc(C(=O)N(C)CC[N@@H+](C)CC(N)=O)ncn1 ZINC001367519265 887385988 /nfs/dbraw/zinc/38/59/88/887385988.db2.gz WGPONTXOWKENNE-UHFFFAOYSA-N 1 2 281.316 -1.026 20 0 CAADLO CNC(=O)C[N@H+](C)CCN(C)C(=O)CCn1ccnn1 ZINC001367513708 887386024 /nfs/dbraw/zinc/38/60/24/887386024.db2.gz YJKWWTVSFKAEPC-UHFFFAOYSA-N 1 2 282.348 -1.196 20 0 CAADLO CNC(=O)C[N@@H+](C)CCN(C)C(=O)CCn1ccnn1 ZINC001367513708 887386034 /nfs/dbraw/zinc/38/60/34/887386034.db2.gz YJKWWTVSFKAEPC-UHFFFAOYSA-N 1 2 282.348 -1.196 20 0 CAADLO CNC(=O)C[N@H+](C)CCN(C)C(=O)[C@@H](C)NC(C)=O ZINC001367499497 887386725 /nfs/dbraw/zinc/38/67/25/887386725.db2.gz RACVHCXQYDOUMI-SECBINFHSA-N 1 2 272.349 -1.353 20 0 CAADLO CNC(=O)C[N@@H+](C)CCN(C)C(=O)[C@@H](C)NC(C)=O ZINC001367499497 887386729 /nfs/dbraw/zinc/38/67/29/887386729.db2.gz RACVHCXQYDOUMI-SECBINFHSA-N 1 2 272.349 -1.353 20 0 CAADLO COCCc1noc(C[NH2+]C[C@H](O)CNC(C)=O)n1 ZINC001367559351 887388155 /nfs/dbraw/zinc/38/81/55/887388155.db2.gz GKIJQADNUUUGDQ-VIFPVBQESA-N 1 2 272.305 -1.155 20 0 CAADLO CCOCC(=O)NC[C@@H](O)C[NH2+]Cc1nnc(C)o1 ZINC001367566177 887389776 /nfs/dbraw/zinc/38/97/76/887389776.db2.gz DBIBDGUDESYZBN-VIFPVBQESA-N 1 2 272.305 -1.019 20 0 CAADLO CC(=O)NCC(=O)NC[C@@H](O)C[NH2+]Cc1csnn1 ZINC001367568167 887391455 /nfs/dbraw/zinc/39/14/55/887391455.db2.gz RVJGBKHQXRKEDM-VIFPVBQESA-N 1 2 287.345 -1.759 20 0 CAADLO CC(=O)NCC(=O)NC[C@H](O)C[NH2+]Cc1nnc(C)o1 ZINC001367571016 887396987 /nfs/dbraw/zinc/39/69/87/887396987.db2.gz XLMYUFRKIDCOQD-SECBINFHSA-N 1 2 285.304 -1.919 20 0 CAADLO Cc1noc(C[NH2+]C[C@@H](O)CNC(=O)[C@H](O)C(C)C)n1 ZINC001367580678 887400863 /nfs/dbraw/zinc/40/08/63/887400863.db2.gz HCOSYZKSAZNBIL-MWLCHTKSSA-N 1 2 286.332 -1.038 20 0 CAADLO Cc1cc(C[NH2+]C[C@@H](O)CNC(=O)c2cnn[nH]2)on1 ZINC001367601073 887406050 /nfs/dbraw/zinc/40/60/50/887406050.db2.gz DSMJLCSTMIULDA-MRVPVSSYSA-N 1 2 280.288 -1.018 20 0 CAADLO Cc1cnc(C[NH2+]C[C@H](O)CNC(=O)Cc2nc[nH]n2)o1 ZINC001367625432 887412002 /nfs/dbraw/zinc/41/20/02/887412002.db2.gz QNKHJKHGOIIQMY-VIFPVBQESA-N 1 2 294.315 -1.089 20 0 CAADLO CCc1nnc(C[NH2+]C[C@H](O)CNC(=O)c2cnon2)o1 ZINC001367616187 887413505 /nfs/dbraw/zinc/41/35/05/887413505.db2.gz SWSSEUFYALMVAP-ZETCQYMHSA-N 1 2 296.287 -1.105 20 0 CAADLO Cc1ncc(C[NH2+]C[C@H](O)CNC(=O)Cc2nnc[nH]2)o1 ZINC001367627320 887416577 /nfs/dbraw/zinc/41/65/77/887416577.db2.gz VCRIOKZDNLOMJA-VIFPVBQESA-N 1 2 294.315 -1.089 20 0 CAADLO C[C@@H]([NH2+]C[C@H](O)CNC(=O)c1nnc[nH]1)c1nncn1C ZINC001367662516 887419772 /nfs/dbraw/zinc/41/97/72/887419772.db2.gz MQZRAYJRUZGTAL-SFYZADRCSA-N 1 2 294.319 -1.625 20 0 CAADLO C[C@@H]([NH2+]C[C@H](O)CNC(=O)c1ncn[nH]1)c1nncn1C ZINC001367662516 887419781 /nfs/dbraw/zinc/41/97/81/887419781.db2.gz MQZRAYJRUZGTAL-SFYZADRCSA-N 1 2 294.319 -1.625 20 0 CAADLO C[C@@H]([NH2+]C[C@H](O)CNC(=O)c1nc[nH]n1)c1nncn1C ZINC001367662516 887419789 /nfs/dbraw/zinc/41/97/89/887419789.db2.gz MQZRAYJRUZGTAL-SFYZADRCSA-N 1 2 294.319 -1.625 20 0 CAADLO Cc1noc(C[NH2+]C[C@@H](C)NC(=O)c2nnn(C)n2)n1 ZINC001367691747 887424291 /nfs/dbraw/zinc/42/42/91/887424291.db2.gz KFIPTMSRYXRUQH-ZCFIWIBFSA-N 1 2 280.292 -1.190 20 0 CAADLO Cc1nnc(C[NH2+]C[C@@H](C)NC(=O)[C@@H]2CN(C)C(=O)N2)o1 ZINC001367688143 887424516 /nfs/dbraw/zinc/42/45/16/887424516.db2.gz BYFGDUYBSFCZQX-APPZFPTMSA-N 1 2 296.331 -1.004 20 0 CAADLO C[C@@H](C[N@H+](C)Cc1cnnn1C)NC(=O)[C@H]1COC(=O)N1 ZINC001367810006 887435232 /nfs/dbraw/zinc/43/52/32/887435232.db2.gz RFNZCGSERPPQHN-WCBMZHEXSA-N 1 2 296.331 -1.140 20 0 CAADLO C[C@@H](C[N@@H+](C)Cc1cnnn1C)NC(=O)[C@H]1COC(=O)N1 ZINC001367810006 887435238 /nfs/dbraw/zinc/43/52/38/887435238.db2.gz RFNZCGSERPPQHN-WCBMZHEXSA-N 1 2 296.331 -1.140 20 0 CAADLO CC(=O)NCC(=O)N[C@@H](C[NH2+]Cc1nnn(C)n1)C1CC1 ZINC001367876358 887439008 /nfs/dbraw/zinc/43/90/08/887439008.db2.gz MSFQMMQCLOACFL-JTQLQIEISA-N 1 2 295.347 -1.669 20 0 CAADLO CC[C@H](C(N)=O)[N@@H+]1CC[C@@H]1CNC(=O)CNC(=O)NC ZINC001367948807 887441627 /nfs/dbraw/zinc/44/16/27/887441627.db2.gz KHZQVUGKZJABQZ-RKDXNWHRSA-N 1 2 285.348 -1.630 20 0 CAADLO CCNC(=O)CCC(=O)NC[C@@H]1CC[N@@H+]1[C@@H](C)C(N)=O ZINC001367934249 887441012 /nfs/dbraw/zinc/44/10/12/887441012.db2.gz KLKONFXAFKGYFO-UWVGGRQHSA-N 1 2 284.360 -1.033 20 0 CAADLO CCNC(=O)CCC(=O)NC[C@@H]1CC[N@H+]1[C@@H](C)C(N)=O ZINC001367934249 887441019 /nfs/dbraw/zinc/44/10/19/887441019.db2.gz KLKONFXAFKGYFO-UWVGGRQHSA-N 1 2 284.360 -1.033 20 0 CAADLO CC[C@H](C(N)=O)[N@H+]1CC[C@@H]1CNC(=O)CNC(=O)NC ZINC001367948807 887441634 /nfs/dbraw/zinc/44/16/34/887441634.db2.gz KHZQVUGKZJABQZ-RKDXNWHRSA-N 1 2 285.348 -1.630 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+]1CC[C@@H]1CNC(=O)CN1CCCC1=O ZINC001367931111 887441423 /nfs/dbraw/zinc/44/14/23/887441423.db2.gz LULCBXLKHCNZQJ-WDEREUQCSA-N 1 2 296.371 -1.066 20 0 CAADLO CNC(=O)[C@H](C)[N@H+]1CC[C@@H]1CNC(=O)CN1CCCC1=O ZINC001367931111 887441431 /nfs/dbraw/zinc/44/14/31/887441431.db2.gz LULCBXLKHCNZQJ-WDEREUQCSA-N 1 2 296.371 -1.066 20 0 CAADLO CC[C@H](C(N)=O)[N@@H+]1CC[C@@H]1CNC(=O)CN1CCOCC1 ZINC001367942372 887441454 /nfs/dbraw/zinc/44/14/54/887441454.db2.gz MWRODERFZGUKLY-VXGBXAGGSA-N 1 2 298.387 -1.227 20 0 CAADLO CC[C@H](C(N)=O)[N@H+]1CC[C@@H]1CNC(=O)CN1CCOCC1 ZINC001367942372 887441465 /nfs/dbraw/zinc/44/14/65/887441465.db2.gz MWRODERFZGUKLY-VXGBXAGGSA-N 1 2 298.387 -1.227 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+]1CC[C@@H]1CNC(=O)Cn1cnnn1 ZINC001367935338 887441922 /nfs/dbraw/zinc/44/19/22/887441922.db2.gz VBPXARQXKBKAKB-RKDXNWHRSA-N 1 2 281.320 -2.002 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+]1CC[C@@H]1CNC(=O)Cn1cnnn1 ZINC001367935338 887441928 /nfs/dbraw/zinc/44/19/28/887441928.db2.gz VBPXARQXKBKAKB-RKDXNWHRSA-N 1 2 281.320 -2.002 20 0 CAADLO COC(=O)NCC(=O)NC[C@H]1CC[N@@H+]1[C@H]1CCNC1=O ZINC001367933998 887442210 /nfs/dbraw/zinc/44/22/10/887442210.db2.gz DVZMBHRPTBQEOD-BDAKNGLRSA-N 1 2 284.316 -1.579 20 0 CAADLO COC(=O)NCC(=O)NC[C@H]1CC[N@H+]1[C@H]1CCNC1=O ZINC001367933998 887442215 /nfs/dbraw/zinc/44/22/15/887442215.db2.gz DVZMBHRPTBQEOD-BDAKNGLRSA-N 1 2 284.316 -1.579 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+]1CC[C@@H]1CNC(=O)CN1CCOCC1 ZINC001367940528 887442330 /nfs/dbraw/zinc/44/23/30/887442330.db2.gz LQXFHHABQXONGY-NWDGAFQWSA-N 1 2 298.387 -1.356 20 0 CAADLO CNC(=O)[C@H](C)[N@H+]1CC[C@@H]1CNC(=O)CN1CCOCC1 ZINC001367940528 887442339 /nfs/dbraw/zinc/44/23/39/887442339.db2.gz LQXFHHABQXONGY-NWDGAFQWSA-N 1 2 298.387 -1.356 20 0 CAADLO CCC(=O)NCC(=O)NC[C@@H]1CC[N@@H+]1[C@@H]1CCN(C)C1=O ZINC001367936355 887442453 /nfs/dbraw/zinc/44/24/53/887442453.db2.gz OWLAXRJYOHIOMQ-WDEREUQCSA-N 1 2 296.371 -1.066 20 0 CAADLO CCC(=O)NCC(=O)NC[C@@H]1CC[N@H+]1[C@@H]1CCN(C)C1=O ZINC001367936355 887442460 /nfs/dbraw/zinc/44/24/60/887442460.db2.gz OWLAXRJYOHIOMQ-WDEREUQCSA-N 1 2 296.371 -1.066 20 0 CAADLO CCC(=O)NCC(=O)NC[C@H]1CC[N@@H+]1[C@@H]1CCN(C)C1=O ZINC001367936329 887442476 /nfs/dbraw/zinc/44/24/76/887442476.db2.gz OWLAXRJYOHIOMQ-GHMZBOCLSA-N 1 2 296.371 -1.066 20 0 CAADLO CCC(=O)NCC(=O)NC[C@H]1CC[N@H+]1[C@@H]1CCN(C)C1=O ZINC001367936329 887442482 /nfs/dbraw/zinc/44/24/82/887442482.db2.gz OWLAXRJYOHIOMQ-GHMZBOCLSA-N 1 2 296.371 -1.066 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+]1CC[C@H]1CNC(=O)CN1CCCC1=O ZINC001367931107 887442495 /nfs/dbraw/zinc/44/24/95/887442495.db2.gz LULCBXLKHCNZQJ-QWRGUYRKSA-N 1 2 296.371 -1.066 20 0 CAADLO CNC(=O)[C@H](C)[N@H+]1CC[C@H]1CNC(=O)CN1CCCC1=O ZINC001367931107 887442504 /nfs/dbraw/zinc/44/25/04/887442504.db2.gz LULCBXLKHCNZQJ-QWRGUYRKSA-N 1 2 296.371 -1.066 20 0 CAADLO Cn1ncnc1C[NH2+]C1(CNC(=O)c2cnnn2C)CC1 ZINC001367997471 887444309 /nfs/dbraw/zinc/44/43/09/887444309.db2.gz MKYPIAHHDGRTFY-UHFFFAOYSA-N 1 2 290.331 -1.004 20 0 CAADLO CN1CC[C@H]([N@@H+]2CC[C@H]2CNC(=O)Cn2cncn2)C1=O ZINC001367978415 887445201 /nfs/dbraw/zinc/44/52/01/887445201.db2.gz VDKNLONPLIHPQY-QWRGUYRKSA-N 1 2 292.343 -1.301 20 0 CAADLO CN1CC[C@H]([N@H+]2CC[C@H]2CNC(=O)Cn2cncn2)C1=O ZINC001367978415 887445206 /nfs/dbraw/zinc/44/52/06/887445206.db2.gz VDKNLONPLIHPQY-QWRGUYRKSA-N 1 2 292.343 -1.301 20 0 CAADLO Cn1nnnc1C[NH2+]C1(CNC(=O)c2cn[nH]c2)CC1 ZINC001367987206 887445387 /nfs/dbraw/zinc/44/53/87/887445387.db2.gz IOOIRNQTVCBDJF-UHFFFAOYSA-N 1 2 276.304 -1.015 20 0 CAADLO CCS(=O)(=O)NCC(=O)N(C)C1C[NH+](CCO)C1 ZINC001368070078 887450441 /nfs/dbraw/zinc/45/04/41/887450441.db2.gz BLWRUFVBOGOKMO-UHFFFAOYSA-N 1 2 279.362 -1.939 20 0 CAADLO CC(=O)NCC(=O)NCC(=O)N(C)C1C[NH+](CCO)C1 ZINC001368070866 887448848 /nfs/dbraw/zinc/44/88/48/887448848.db2.gz DMTUFSZEWRAUNA-UHFFFAOYSA-N 1 2 286.332 -2.626 20 0 CAADLO Cn1nnc(C(=O)NCC2([NH2+]Cc3cnon3)CC2)n1 ZINC001368018255 887450190 /nfs/dbraw/zinc/45/01/90/887450190.db2.gz ZNGONEBFMQJWLR-UHFFFAOYSA-N 1 2 278.276 -1.355 20 0 CAADLO CNC(=O)NCC(=O)N(C)C1C[NH+](CCn2cccn2)C1 ZINC001368070820 887450241 /nfs/dbraw/zinc/45/02/41/887450241.db2.gz GITJGQOQBFNEJW-UHFFFAOYSA-N 1 2 294.359 -1.045 20 0 CAADLO O=C(NCC1([NH2+]Cc2cnon2)CC1)[C@H]1CNC(=O)N1 ZINC001368019493 887450783 /nfs/dbraw/zinc/45/07/83/887450783.db2.gz DCBIHZRNAUSQBN-MRVPVSSYSA-N 1 2 280.288 -1.511 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(N(C)C(=O)[C@H](C)n2cncn2)C1 ZINC001368069131 887450869 /nfs/dbraw/zinc/45/08/69/887450869.db2.gz QUDVHQDKFQDQRL-JQWIXIFHSA-N 1 2 297.359 -1.011 20 0 CAADLO Cn1nnnc1CNC1(CNC(=O)Cn2cc[nH+]c2)CC1 ZINC001368043564 887450991 /nfs/dbraw/zinc/45/09/91/887450991.db2.gz WJKFPAJNEMMYPS-UHFFFAOYSA-N 1 2 290.331 -1.155 20 0 CAADLO Cc1nonc1C[NH2+]C1(CNC(=O)Cn2ncnn2)CC1 ZINC001368003649 887451022 /nfs/dbraw/zinc/45/10/22/887451022.db2.gz RNTZDQSUMBNOOK-UHFFFAOYSA-N 1 2 292.303 -1.197 20 0 CAADLO CC(=O)NCC(=O)N1CCC[C@H]1C[NH2+]Cc1nnn(C)n1 ZINC001368099599 887453640 /nfs/dbraw/zinc/45/36/40/887453640.db2.gz JGDROZXDSLEIBA-JTQLQIEISA-N 1 2 295.347 -1.573 20 0 CAADLO C[C@]1(NC(=O)CCc2cn[nH]n2)CC[N@H+](CC(N)=O)C1 ZINC001368167533 887457416 /nfs/dbraw/zinc/45/74/16/887457416.db2.gz CTGPPDZJFZYKKY-LBPRGKRZSA-N 1 2 280.332 -1.197 20 0 CAADLO C[C@]1(NC(=O)CCc2cn[nH]n2)CC[N@@H+](CC(N)=O)C1 ZINC001368167533 887457429 /nfs/dbraw/zinc/45/74/29/887457429.db2.gz CTGPPDZJFZYKKY-LBPRGKRZSA-N 1 2 280.332 -1.197 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(O)(CNC(=O)Cn2cccn2)C1 ZINC001368280521 887466927 /nfs/dbraw/zinc/46/69/27/887466927.db2.gz JSIOBOAHGXZXSB-NSHDSACASA-N 1 2 298.343 -1.947 20 0 CAADLO CO[C@@H](C)C[NH+]1CC(O)(CNC(=O)[C@H](C)NC(N)=O)C1 ZINC001368291043 887469728 /nfs/dbraw/zinc/46/97/28/887469728.db2.gz NTBBOBDIEBNXCY-IUCAKERBSA-N 1 2 288.348 -1.759 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CC[C@](O)(CNC(=O)Cc2nnc[nH]2)C1 ZINC001368281982 887469865 /nfs/dbraw/zinc/46/98/65/887469865.db2.gz RXNJIYAVOPZFMJ-UFBFGSQYSA-N 1 2 296.331 -2.226 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CC[C@](O)(CNC(=O)Cc2nnc[nH]2)C1 ZINC001368281982 887469872 /nfs/dbraw/zinc/46/98/72/887469872.db2.gz RXNJIYAVOPZFMJ-UFBFGSQYSA-N 1 2 296.331 -2.226 20 0 CAADLO COC[C@H](C)[NH+]1CC(O)(CNC(=O)[C@H](C)NC(C)=O)C1 ZINC001368282737 887470420 /nfs/dbraw/zinc/47/04/20/887470420.db2.gz XONHHBAKMXEGOV-UWVGGRQHSA-N 1 2 287.360 -1.291 20 0 CAADLO C[C@H](O)C[NH+]1CC(O)(CNC(=O)CC2OCCCO2)C1 ZINC001368287325 887470887 /nfs/dbraw/zinc/47/08/87/887470887.db2.gz BYJKQLHBGWLXLI-JTQLQIEISA-N 1 2 288.344 -1.317 20 0 CAADLO COC[C@H](O)C[NH+]1CC(O)(CNC(=O)c2ccn(C)c2)C1 ZINC001368288139 887471397 /nfs/dbraw/zinc/47/13/97/887471397.db2.gz JCBVPFGTQPGMTF-GFCCVEGCSA-N 1 2 297.355 -1.191 20 0 CAADLO COC[C@H](O)C[NH+]1CC(O)(CNC(=O)c2n[nH]cc2C)C1 ZINC001368296932 887472623 /nfs/dbraw/zinc/47/26/23/887472623.db2.gz UIKZXDFTJPHRRE-SNVBAGLBSA-N 1 2 298.343 -1.498 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(O)(CNC(=O)[C@H]2CC2(F)F)C1 ZINC001368295397 887472971 /nfs/dbraw/zinc/47/29/71/887472971.db2.gz HMTHJIRLPHIBHD-DTWKUNHWSA-N 1 2 294.298 -1.188 20 0 CAADLO C[C@H](O)C[NH+]1CC(O)(CNC(=O)[C@H]2CCNC(=O)CC2)C1 ZINC001368299114 887473106 /nfs/dbraw/zinc/47/31/06/887473106.db2.gz CXFPPWPIGXPTHM-WDEREUQCSA-N 1 2 299.371 -1.554 20 0 CAADLO C[C@@H](O)C[NH+]1CC(O)(CNC(=O)[C@@H]2CCNC(=O)CC2)C1 ZINC001368299108 887473506 /nfs/dbraw/zinc/47/35/06/887473506.db2.gz CXFPPWPIGXPTHM-MNOVXSKESA-N 1 2 299.371 -1.554 20 0 CAADLO Cc1nnc(CC(=O)NCC2(O)C[NH+](CCCO)C2)[nH]1 ZINC001368296961 887473643 /nfs/dbraw/zinc/47/36/43/887473643.db2.gz UUNBGEINXIKOEJ-UHFFFAOYSA-N 1 2 283.332 -1.799 20 0 CAADLO C[C@@H](O)C[NH+]1CC(O)(CNC(=O)[C@H]2COC(=O)N2)C1 ZINC001368296729 887473801 /nfs/dbraw/zinc/47/38/01/887473801.db2.gz JBTMRAHHTRFZIA-HTQZYQBOSA-N 1 2 273.289 -2.362 20 0 CAADLO COC[C@H](O)C[NH+]1CC(O)(CNC(=O)c2cnnn2C)C1 ZINC001368297363 887473884 /nfs/dbraw/zinc/47/38/84/887473884.db2.gz PSEHRGUGDUXPDA-SECBINFHSA-N 1 2 299.331 -2.401 20 0 CAADLO C[C@@H](O)C[NH+]1CC(O)(CNC(=O)[C@@H]2COC(=O)N2)C1 ZINC001368296732 887473992 /nfs/dbraw/zinc/47/39/92/887473992.db2.gz JBTMRAHHTRFZIA-SFYZADRCSA-N 1 2 273.289 -2.362 20 0 CAADLO Cc1ccnc(C(=O)NCC2(O)C[NH+](C[C@H](C)O)C2)n1 ZINC001368298221 887474014 /nfs/dbraw/zinc/47/40/14/887474014.db2.gz TZCZVUDCHKLHEE-JTQLQIEISA-N 1 2 280.328 -1.058 20 0 CAADLO COC[C@H](C)[NH+]1CC(O)(CNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001368304216 887475741 /nfs/dbraw/zinc/47/57/41/887475741.db2.gz ABOPLENZAZKFOZ-IUCAKERBSA-N 1 2 286.332 -2.134 20 0 CAADLO COC[C@@H](C)[NH+]1CC(O)(CNC(=O)[C@H](COC)OC)C1 ZINC001368314529 887475820 /nfs/dbraw/zinc/47/58/20/887475820.db2.gz IDEHIKQQMCAYBI-MNOVXSKESA-N 1 2 290.360 -1.154 20 0 CAADLO COC[C@@H](C)[NH+]1CC(O)(CNC(=O)Cc2nc[nH]n2)C1 ZINC001368320550 887475958 /nfs/dbraw/zinc/47/59/58/887475958.db2.gz IBYVSJWMBSIWKE-SECBINFHSA-N 1 2 283.332 -1.455 20 0 CAADLO C[C@@H](C(N)=O)N1CC(O)(CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001368318070 887476242 /nfs/dbraw/zinc/47/62/42/887476242.db2.gz OBDDEOMWZUDSRD-QMMMGPOBSA-N 1 2 281.316 -2.011 20 0 CAADLO C[C@H](C(N)=O)N1CC(O)(CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001368318069 887476474 /nfs/dbraw/zinc/47/64/74/887476474.db2.gz OBDDEOMWZUDSRD-MRVPVSSYSA-N 1 2 281.316 -2.011 20 0 CAADLO CO[C@@H](C)C[NH+]1CC(O)(CNC(=O)c2cn(C)c(=O)[nH]2)C1 ZINC001368308955 887477087 /nfs/dbraw/zinc/47/70/87/887477087.db2.gz XMFOODMISIYCMN-VIFPVBQESA-N 1 2 298.343 -1.063 20 0 CAADLO O=C(NCC1(O)C[NH+](CCCO)C1)[C@@]1(F)CCOC1 ZINC001368307807 887477104 /nfs/dbraw/zinc/47/71/04/887477104.db2.gz OVHZBHYSRKRBSB-GFCCVEGCSA-N 1 2 276.308 -1.340 20 0 CAADLO C[C@@H](O)C[NH+]1CC(O)(CNC(=O)c2cccc(=O)n2C)C1 ZINC001368317337 887477396 /nfs/dbraw/zinc/47/73/96/887477396.db2.gz ZYISYYSHIKPJQB-SNVBAGLBSA-N 1 2 295.339 -1.457 20 0 CAADLO COC[C@H](O)CN1CC(O)(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001368319639 887477412 /nfs/dbraw/zinc/47/74/12/887477412.db2.gz BMPRFNACMGXCFH-LLVKDONJSA-N 1 2 298.343 -1.947 20 0 CAADLO COC[C@H](C)[NH+]1CC(O)(CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001368304214 887477734 /nfs/dbraw/zinc/47/77/34/887477734.db2.gz ABOPLENZAZKFOZ-DTWKUNHWSA-N 1 2 286.332 -2.134 20 0 CAADLO CNC(=O)C[NH2+][C@H](C)[C@@H]1CCN(C(=O)Cc2ncn[nH]2)C1 ZINC001368332435 887479239 /nfs/dbraw/zinc/47/92/39/887479239.db2.gz COVYCACCKXPESP-NXEZZACHSA-N 1 2 294.359 -1.080 20 0 CAADLO CC(C)[NH+]1CC(O)(CNC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001368329934 887479457 /nfs/dbraw/zinc/47/94/57/887479457.db2.gz POKYQDIJNRCGNZ-UHFFFAOYSA-N 1 2 296.331 -2.052 20 0 CAADLO CC(=O)N[C@]1(CO)CCC[N@H+](CC(=O)NC(N)=O)C1 ZINC001368363823 887479783 /nfs/dbraw/zinc/47/97/83/887479783.db2.gz KLDAUKDAANZAKG-LLVKDONJSA-N 1 2 272.305 -1.856 20 0 CAADLO CC(=O)N[C@]1(CO)CCC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001368363823 887479791 /nfs/dbraw/zinc/47/97/91/887479791.db2.gz KLDAUKDAANZAKG-LLVKDONJSA-N 1 2 272.305 -1.856 20 0 CAADLO C[C@H]1CN(C(=O)Cc2ncn[nH]2)C[C@@H]1C[NH2+]CC(N)=O ZINC001368349222 887479843 /nfs/dbraw/zinc/47/98/43/887479843.db2.gz JNJVRUHSRGWMNE-IUCAKERBSA-N 1 2 280.332 -1.483 20 0 CAADLO CC[NH+]1CC(O)(CNC(=O)c2nccnc2C(N)=O)C1 ZINC001368323327 887480021 /nfs/dbraw/zinc/48/00/21/887480021.db2.gz PUSDNPUSDUUNTC-UHFFFAOYSA-N 1 2 279.300 -1.628 20 0 CAADLO CCOCC(=O)N[C@@]1(CO)CCC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001368367765 887480400 /nfs/dbraw/zinc/48/04/00/887480400.db2.gz KGNLOZJPQBHCLD-RISCZKNCSA-N 1 2 299.371 -1.146 20 0 CAADLO CCOCC(=O)N[C@@]1(CO)CCC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001368367765 887480412 /nfs/dbraw/zinc/48/04/12/887480412.db2.gz KGNLOZJPQBHCLD-RISCZKNCSA-N 1 2 299.371 -1.146 20 0 CAADLO CCOCC(=O)N[C@]1(CO)CCC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001368367756 887480893 /nfs/dbraw/zinc/48/08/93/887480893.db2.gz KGNLOZJPQBHCLD-BXUZGUMPSA-N 1 2 299.371 -1.146 20 0 CAADLO CCOCC(=O)N[C@]1(CO)CCC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001368367756 887480900 /nfs/dbraw/zinc/48/09/00/887480900.db2.gz KGNLOZJPQBHCLD-BXUZGUMPSA-N 1 2 299.371 -1.146 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@@](CO)(NC(=O)C[C@H]2CCOC2)C1 ZINC001368376967 887482546 /nfs/dbraw/zinc/48/25/46/887482546.db2.gz VDVGRSSWGUBWFO-BXUZGUMPSA-N 1 2 299.371 -1.159 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@@](CO)(NC(=O)C[C@H]2CCOC2)C1 ZINC001368376967 887482552 /nfs/dbraw/zinc/48/25/52/887482552.db2.gz VDVGRSSWGUBWFO-BXUZGUMPSA-N 1 2 299.371 -1.159 20 0 CAADLO O=C(Cn1ncnn1)N[C@]1(CO)CCC[N@H+](CCF)C1 ZINC001368386446 887483945 /nfs/dbraw/zinc/48/39/45/887483945.db2.gz XBDHOZNTPVXDPB-LLVKDONJSA-N 1 2 286.311 -1.414 20 0 CAADLO O=C(Cn1ncnn1)N[C@]1(CO)CCC[N@@H+](CCF)C1 ZINC001368386446 887483963 /nfs/dbraw/zinc/48/39/63/887483963.db2.gz XBDHOZNTPVXDPB-LLVKDONJSA-N 1 2 286.311 -1.414 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@@](CO)(NC(=O)C[C@@H]2CCOC2)C1 ZINC001368376988 887484489 /nfs/dbraw/zinc/48/44/89/887484489.db2.gz VDVGRSSWGUBWFO-SMDDNHRTSA-N 1 2 299.371 -1.159 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@@](CO)(NC(=O)C[C@@H]2CCOC2)C1 ZINC001368376988 887484498 /nfs/dbraw/zinc/48/44/98/887484498.db2.gz VDVGRSSWGUBWFO-SMDDNHRTSA-N 1 2 299.371 -1.159 20 0 CAADLO CNC(=O)[C@@H](C)[NH2+]CCN(CCO)C(=O)Cc1ncn[nH]1 ZINC001368402926 887488229 /nfs/dbraw/zinc/48/82/29/887488229.db2.gz ZJVKRJFLVDFVRY-SECBINFHSA-N 1 2 298.347 -2.108 20 0 CAADLO CN(C)C(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)Cn1cncn1 ZINC001368437822 887488389 /nfs/dbraw/zinc/48/83/89/887488389.db2.gz MZUJSTWVCNSOPY-LLVKDONJSA-N 1 2 294.359 -1.101 20 0 CAADLO CN(C)C(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)Cn1cncn1 ZINC001368437822 887488395 /nfs/dbraw/zinc/48/83/95/887488395.db2.gz MZUJSTWVCNSOPY-LLVKDONJSA-N 1 2 294.359 -1.101 20 0 CAADLO CC[NH+]1CC2(C1)CN(C(=O)CCNC(N)=O)CCO2 ZINC001368587509 887493094 /nfs/dbraw/zinc/49/30/94/887493094.db2.gz MIRSRXKAKDLQFB-UHFFFAOYSA-N 1 2 270.333 -1.022 20 0 CAADLO CC(=O)NCC(=O)N[C@H]1COC2(C[NH+](CCO)C2)C1 ZINC001368578358 887493639 /nfs/dbraw/zinc/49/36/39/887493639.db2.gz INPPQEGGBXMIQN-SNVBAGLBSA-N 1 2 271.317 -1.926 20 0 CAADLO CC1([NH2+]CC(N)=O)CCN(C(=O)Cc2ncn[nH]2)CC1 ZINC001368662911 887496479 /nfs/dbraw/zinc/49/64/79/887496479.db2.gz JAQRGFZKSOPWQS-UHFFFAOYSA-N 1 2 280.332 -1.197 20 0 CAADLO CNC(=O)C[NH2+][C@H]1CN(C(=O)Cc2ncn[nH]2)C[C@H]1C ZINC001368664337 887498068 /nfs/dbraw/zinc/49/80/68/887498068.db2.gz XDGVGXSCTDOMSU-BDAKNGLRSA-N 1 2 280.332 -1.470 20 0 CAADLO CNC(=O)C[NH2+][C@H]1CN(C(=O)Cc2ncn[nH]2)C[C@@H]1C ZINC001368664345 887498191 /nfs/dbraw/zinc/49/81/91/887498191.db2.gz XDGVGXSCTDOMSU-IUCAKERBSA-N 1 2 280.332 -1.470 20 0 CAADLO NC(=O)C[NH+]1CCC(CO)(NC(=O)Cc2ccc[nH]2)CC1 ZINC001368775765 887500414 /nfs/dbraw/zinc/50/04/14/887500414.db2.gz DEYLDRPOAMYSPK-UHFFFAOYSA-N 1 2 294.355 -1.014 20 0 CAADLO CNC(=O)C[NH+]1CCC(CO)(NC(=O)c2cocn2)CC1 ZINC001368767185 887500626 /nfs/dbraw/zinc/50/06/26/887500626.db2.gz ZAZUILHRKCKOJG-UHFFFAOYSA-N 1 2 296.327 -1.023 20 0 CAADLO NC(=O)C[NH+]1CCC(CO)(NC(=O)[C@@H]2CNC(=O)N2)CC1 ZINC001368771870 887500714 /nfs/dbraw/zinc/50/07/14/887500714.db2.gz YCDOIZCNCCDTPL-QMMMGPOBSA-N 1 2 299.331 -2.904 20 0 CAADLO CS(=O)(=O)CC(=O)NC1(CO)CC[NH+](CCO)CC1 ZINC001368759009 887501212 /nfs/dbraw/zinc/50/12/12/887501212.db2.gz JLJKZYINCKMIKT-UHFFFAOYSA-N 1 2 294.373 -2.034 20 0 CAADLO CNC(=O)NC(=O)C[NH+]1CCC(CO)(NC(C)=O)CC1 ZINC001368753843 887501455 /nfs/dbraw/zinc/50/14/55/887501455.db2.gz VLFOHUUHAGGAPF-UHFFFAOYSA-N 1 2 286.332 -1.595 20 0 CAADLO CC(=O)NCC(=O)N[C@@H](C)[C@H](C)[NH2+]Cc1nnn(C)n1 ZINC001368832902 887506951 /nfs/dbraw/zinc/50/69/51/887506951.db2.gz LHKASGJKFVZYHM-YUMQZZPRSA-N 1 2 283.336 -1.671 20 0 CAADLO CC(=O)NCC(=O)N[C@H](C)[C@@H](C)[NH2+]Cc1nnn(C)n1 ZINC001368832893 887507299 /nfs/dbraw/zinc/50/72/99/887507299.db2.gz LHKASGJKFVZYHM-HTQZYQBOSA-N 1 2 283.336 -1.671 20 0 CAADLO C[C@@H](O)C[NH+]1CC(CCO)(NC(=O)Cc2cnn(C)c2)C1 ZINC001369014589 887514279 /nfs/dbraw/zinc/51/42/79/887514279.db2.gz ANXMKWRHMBHEJV-LLVKDONJSA-N 1 2 296.371 -1.104 20 0 CAADLO O=C(NC1(CCO)C[NH+](CCCO)C1)[C@H]1COC(=O)N1 ZINC001369018130 887514699 /nfs/dbraw/zinc/51/46/99/887514699.db2.gz KRTMHUJQDDFRCQ-SECBINFHSA-N 1 2 287.316 -1.970 20 0 CAADLO C[C@@H](O)C[NH+]1CC(CCO)(NC(=O)Cn2cnnn2)C1 ZINC001369014319 887515977 /nfs/dbraw/zinc/51/59/77/887515977.db2.gz IUBDQWGFQPMAJX-SECBINFHSA-N 1 2 284.320 -2.393 20 0 CAADLO C[C@H](O)C[NH+]1CC(CCO)(NC(=O)Cn2cnnn2)C1 ZINC001369014320 887515886 /nfs/dbraw/zinc/51/58/86/887515886.db2.gz IUBDQWGFQPMAJX-VIFPVBQESA-N 1 2 284.320 -2.393 20 0 CAADLO COC[C@@H](C)[NH+]1CC(CCO)(NC(=O)Cn2cnnn2)C1 ZINC001369014539 887516032 /nfs/dbraw/zinc/51/60/32/887516032.db2.gz LSXKPUZGCUDADY-SNVBAGLBSA-N 1 2 298.347 -1.739 20 0 CAADLO CNC(=O)C[N@H+](C)[C@@H](C)CNC(=O)CCc1cn[nH]n1 ZINC001368991504 887516126 /nfs/dbraw/zinc/51/61/26/887516126.db2.gz ROUUYAKLBMIYLV-VIFPVBQESA-N 1 2 282.348 -1.080 20 0 CAADLO CNC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)CCc1cn[nH]n1 ZINC001368991504 887516137 /nfs/dbraw/zinc/51/61/37/887516137.db2.gz ROUUYAKLBMIYLV-VIFPVBQESA-N 1 2 282.348 -1.080 20 0 CAADLO CNC(=O)C[N@H+](C)[C@@H](C)CNC(=O)CCc1c[nH]nn1 ZINC001368991504 887516142 /nfs/dbraw/zinc/51/61/42/887516142.db2.gz ROUUYAKLBMIYLV-VIFPVBQESA-N 1 2 282.348 -1.080 20 0 CAADLO CNC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)CCc1c[nH]nn1 ZINC001368991504 887516152 /nfs/dbraw/zinc/51/61/52/887516152.db2.gz ROUUYAKLBMIYLV-VIFPVBQESA-N 1 2 282.348 -1.080 20 0 CAADLO COCC[NH+]1CC(CCO)(NC(=O)[C@@H]2CCC(=O)N2C)C1 ZINC001369031272 887517066 /nfs/dbraw/zinc/51/70/66/887517066.db2.gz YHYFAFZAIGSDRG-NSHDSACASA-N 1 2 299.371 -1.193 20 0 CAADLO C[C@@H](O)C[NH+]1CC(CCO)(NC(=O)CNC(=O)C2CC2)C1 ZINC001369023130 887517505 /nfs/dbraw/zinc/51/75/05/887517505.db2.gz SANJBYADEKNDBQ-SNVBAGLBSA-N 1 2 299.371 -1.554 20 0 CAADLO O=C(NC1(CCO)C[NH+](CCO)C1)c1cn[nH]c(=O)c1 ZINC001369020870 887517559 /nfs/dbraw/zinc/51/75/59/887517559.db2.gz CETKVQYPESAZJL-UHFFFAOYSA-N 1 2 282.300 -1.659 20 0 CAADLO C[C@H](O)C[NH+]1CC(CCO)(NC(=O)CNC(=O)C2CC2)C1 ZINC001369023126 887517789 /nfs/dbraw/zinc/51/77/89/887517789.db2.gz SANJBYADEKNDBQ-JTQLQIEISA-N 1 2 299.371 -1.554 20 0 CAADLO Cc1[nH]c(=O)[nH]c1C(=O)NC1(CCO)C[NH+](C[C@@H](C)O)C1 ZINC001369021502 887517902 /nfs/dbraw/zinc/51/79/02/887517902.db2.gz GLGKUOLFXABANL-MRVPVSSYSA-N 1 2 298.343 -1.029 20 0 CAADLO CCNC(=O)C[NH+]1CC([C@@H](C)NC(=O)Cn2cnnn2)C1 ZINC001369072690 887517946 /nfs/dbraw/zinc/51/79/46/887517946.db2.gz PZMDOYMAGKDHHA-SECBINFHSA-N 1 2 295.347 -1.754 20 0 CAADLO O=C(CNC(=O)C1CC1)NC1(CCO)C[NH+](CCCO)C1 ZINC001369022530 887518024 /nfs/dbraw/zinc/51/80/24/887518024.db2.gz PXMJNCOIDVXSGS-UHFFFAOYSA-N 1 2 299.371 -1.552 20 0 CAADLO O=C(NC1(CCO)C[NH+](CCO)C1)[C@@H]1C[C@]12CCOC2 ZINC001369037653 887518485 /nfs/dbraw/zinc/51/84/85/887518485.db2.gz JMXRHMRIOVEUSL-AAEUAGOBSA-N 1 2 284.356 -1.042 20 0 CAADLO O=C(NC1(CCO)C[NH+](CCCO)C1)[C@@H]1CCC(=O)NC1 ZINC001369022180 887518600 /nfs/dbraw/zinc/51/86/00/887518600.db2.gz VHVDXHCXIPERKE-LLVKDONJSA-N 1 2 299.371 -1.552 20 0 CAADLO CNC(=O)C[NH+]1CC([C@@H](C)NC(=O)CN2CCCC2=O)C1 ZINC001369067932 887519635 /nfs/dbraw/zinc/51/96/35/887519635.db2.gz FNTUXUKGJKLYLS-SNVBAGLBSA-N 1 2 296.371 -1.209 20 0 CAADLO O=C(NC1(CCO)C[NH+](CCCO)C1)[C@@H]1CCC(=O)N1 ZINC001369035537 887519751 /nfs/dbraw/zinc/51/97/51/887519751.db2.gz LWFIIPORWOXDCU-JTQLQIEISA-N 1 2 285.344 -1.800 20 0 CAADLO Cn1c(=O)cccc1C(=O)NC1(CCO)C[NH+](CCO)C1 ZINC001369028000 887519883 /nfs/dbraw/zinc/51/98/83/887519883.db2.gz HTSQPHCEHQAMHL-UHFFFAOYSA-N 1 2 295.339 -1.456 20 0 CAADLO O=C(C[C@@H]1CCNC1=O)NC1(CCO)C[NH+](CCO)C1 ZINC001369024536 887520036 /nfs/dbraw/zinc/52/00/36/887520036.db2.gz DAMRAKNPIJTCMX-JTQLQIEISA-N 1 2 285.344 -1.942 20 0 CAADLO CCNC(=O)C[NH+]1CC([C@H](C)NC(=O)Cn2cnnn2)C1 ZINC001369072694 887520845 /nfs/dbraw/zinc/52/08/45/887520845.db2.gz PZMDOYMAGKDHHA-VIFPVBQESA-N 1 2 295.347 -1.754 20 0 CAADLO C[C@H](NC(=O)CCn1cnnn1)C1C[NH+](CC(N)=O)C1 ZINC001369093513 887521525 /nfs/dbraw/zinc/52/15/25/887521525.db2.gz CFNMZAYKYQZEON-QMMMGPOBSA-N 1 2 281.320 -2.015 20 0 CAADLO C[C@@H](NC(=O)CCn1cnnn1)C1C[NH+](CC(N)=O)C1 ZINC001369093508 887521842 /nfs/dbraw/zinc/52/18/42/887521842.db2.gz CFNMZAYKYQZEON-MRVPVSSYSA-N 1 2 281.320 -2.015 20 0 CAADLO C[C@H](NC(=O)C[C@H]1CCC(=O)N1)C1C[NH+](CC(N)=O)C1 ZINC001369092762 887523480 /nfs/dbraw/zinc/52/34/80/887523480.db2.gz UPILWQFVQGZKQW-WCBMZHEXSA-N 1 2 282.344 -1.423 20 0 CAADLO CCNC(=O)C[NH+]1CC([C@H](C)NC(=O)[C@H]2COC(=O)N2)C1 ZINC001369075496 887523527 /nfs/dbraw/zinc/52/35/27/887523527.db2.gz JKVUYGGDRPDNGE-WCBMZHEXSA-N 1 2 298.343 -1.333 20 0 CAADLO Cn1ncc(C[NH2+][C@@H](CO)CNC(=O)c2cn[nH]c2)n1 ZINC001369308739 887531838 /nfs/dbraw/zinc/53/18/38/887531838.db2.gz OSRMMHXQCLNGER-SNVBAGLBSA-N 1 2 279.304 -1.581 20 0 CAADLO C[C@@H]([NH2+][C@H](CO)CNC(=O)c1cocn1)c1nnnn1C ZINC001369306340 887531939 /nfs/dbraw/zinc/53/19/39/887531939.db2.gz BLNWMQHZJGHYQY-SFYZADRCSA-N 1 2 295.303 -1.360 20 0 CAADLO CO[C@H](C)C(=O)NC[C@H](CO)[NH2+]Cc1nnnn1C ZINC001369307135 887532165 /nfs/dbraw/zinc/53/21/65/887532165.db2.gz LSRRBTJFODTNBH-HTQZYQBOSA-N 1 2 272.309 -2.188 20 0 CAADLO Cn1ncnc1C[NH2+][C@@H](CO)CNC(=O)c1ccon1 ZINC001369305599 887532367 /nfs/dbraw/zinc/53/23/67/887532367.db2.gz JCARDJNCDPHGMJ-MRVPVSSYSA-N 1 2 280.288 -1.316 20 0 CAADLO Cn1ncc(C[NH2+][C@H](CO)CNC(=O)c2cn[nH]c2)n1 ZINC001369308737 887532545 /nfs/dbraw/zinc/53/25/45/887532545.db2.gz OSRMMHXQCLNGER-JTQLQIEISA-N 1 2 279.304 -1.581 20 0 CAADLO Cn1cc(C[NH2+][C@@H](CO)CNC(=O)c2cn[nH]c2)nn1 ZINC001369305779 887532648 /nfs/dbraw/zinc/53/26/48/887532648.db2.gz JFPMVVSUVRBJOL-SNVBAGLBSA-N 1 2 279.304 -1.581 20 0 CAADLO CO[C@@H](C)C(=O)NC[C@@H](CO)[NH2+]Cc1nnnn1C ZINC001369307457 887532838 /nfs/dbraw/zinc/53/28/38/887532838.db2.gz LSRRBTJFODTNBH-YUMQZZPRSA-N 1 2 272.309 -2.188 20 0 CAADLO Cc1nonc1C[NH2+][C@@H](CO)CNC(=O)c1ccn[nH]1 ZINC001369309527 887533115 /nfs/dbraw/zinc/53/31/15/887533115.db2.gz QDZLASZFMKOYHD-MRVPVSSYSA-N 1 2 280.288 -1.018 20 0 CAADLO O=C(Cn1cnnn1)NC[C@H](CO)[NH2+]Cc1cscn1 ZINC001369307814 887533425 /nfs/dbraw/zinc/53/34/25/887533425.db2.gz GVPQOOOFXYXNQR-MRVPVSSYSA-N 1 2 297.344 -1.604 20 0 CAADLO Cn1[nH]c(C[NH2+][C@H](CO)CNC(=O)CC2CCC2)nc1=O ZINC001369315547 887534950 /nfs/dbraw/zinc/53/49/50/887534950.db2.gz VRYOPOOPTLNSJG-JTQLQIEISA-N 1 2 297.359 -1.135 20 0 CAADLO Cc1nonc1C[NH2+][C@@H](CO)CNC(=O)c1ccnn1C ZINC001369313000 887535132 /nfs/dbraw/zinc/53/51/32/887535132.db2.gz PZYWRUOULRFXBT-SECBINFHSA-N 1 2 294.315 -1.008 20 0 CAADLO Cn1nnnc1C[NH2+][C@H](CO)CNC(=O)C(C)(F)F ZINC001369313190 887535201 /nfs/dbraw/zinc/53/52/01/887535201.db2.gz VAPYGZBQWDGPNA-LURJTMIESA-N 1 2 278.263 -1.568 20 0 CAADLO CC(=O)N[C@H](C)C(=O)NC[C@H](CO)[NH2+]Cc1nnc(C)[nH]1 ZINC001369312502 887535445 /nfs/dbraw/zinc/53/54/45/887535445.db2.gz NTRWEVRCOJMLJG-GMSGAONNSA-N 1 2 298.347 -1.796 20 0 CAADLO CC(=O)N[C@@H](C)C(=O)NC[C@H](CO)[NH2+]Cc1nnc(C)[nH]1 ZINC001369312503 887535588 /nfs/dbraw/zinc/53/55/88/887535588.db2.gz NTRWEVRCOJMLJG-OIBJUYFYSA-N 1 2 298.347 -1.796 20 0 CAADLO Cn1[nH]c(C[NH2+][C@@H](CO)CNC(=O)c2ccc[nH]2)nc1=O ZINC001369311521 887535633 /nfs/dbraw/zinc/53/56/33/887535633.db2.gz LJTIMGFZUNUKPT-MRVPVSSYSA-N 1 2 294.315 -1.683 20 0 CAADLO Cn1nnnc1C[NH2+][C@@H](CO)CNC(=O)C(C)(F)F ZINC001369313206 887535730 /nfs/dbraw/zinc/53/57/30/887535730.db2.gz VAPYGZBQWDGPNA-ZCFIWIBFSA-N 1 2 278.263 -1.568 20 0 CAADLO Cn1[nH]c(C[NH2+][C@@H](CO)CNC(=O)[C@H]2CCOC2)nc1=O ZINC001369311163 887535872 /nfs/dbraw/zinc/53/58/72/887535872.db2.gz LVELNMPSHRDTOD-DTWKUNHWSA-N 1 2 299.331 -2.288 20 0 CAADLO CCOCC(=O)NC[C@@H](CO)[NH2+]Cc1cnn(C)n1 ZINC001369316849 887537095 /nfs/dbraw/zinc/53/70/95/887537095.db2.gz YAZOICHTDPKLPX-JTQLQIEISA-N 1 2 271.321 -1.582 20 0 CAADLO Cn1ncc(C[NH2+][C@H](CO)CNC(=O)c2ccon2)n1 ZINC001369311401 887537429 /nfs/dbraw/zinc/53/74/29/887537429.db2.gz UOSRAQUPSPEPJQ-VIFPVBQESA-N 1 2 280.288 -1.316 20 0 CAADLO Cn1[nH]c(C[NH2+][C@H](CO)CNC(=O)c2ccc[nH]2)nc1=O ZINC001369311522 887537601 /nfs/dbraw/zinc/53/76/01/887537601.db2.gz LJTIMGFZUNUKPT-QMMMGPOBSA-N 1 2 294.315 -1.683 20 0 CAADLO Cn1nnnc1C[NH2+][C@@H](CO)CNC(=O)CCC1CC1 ZINC001369319830 887538670 /nfs/dbraw/zinc/53/86/70/887538670.db2.gz MUKLUCWXXLIMGA-SNVBAGLBSA-N 1 2 282.348 -1.033 20 0 CAADLO Cn1nnnc1C[NH2+][C@H](CO)CNC(=O)CCC1CC1 ZINC001369319827 887538821 /nfs/dbraw/zinc/53/88/21/887538821.db2.gz MUKLUCWXXLIMGA-JTQLQIEISA-N 1 2 282.348 -1.033 20 0 CAADLO Cc1[nH]ccc1C(=O)NC[C@H](CO)[NH2+]Cc1nnnn1C ZINC001369320167 887540018 /nfs/dbraw/zinc/54/00/18/887540018.db2.gz XWKBFCSXLZGAOO-SECBINFHSA-N 1 2 293.331 -1.273 20 0 CAADLO Cn1cnnc1C[NH2+][C@@H](CO)CNC(=O)Cc1ccon1 ZINC001369318974 887540646 /nfs/dbraw/zinc/54/06/46/887540646.db2.gz IUSURHXQGGASMG-SNVBAGLBSA-N 1 2 294.315 -1.388 20 0 CAADLO Cn1cc(C[NH2+][C@@H](CO)CNC(=O)c2cnnn2C)nn1 ZINC001369322292 887540691 /nfs/dbraw/zinc/54/06/91/887540691.db2.gz LNSJMOAMJOLYHN-SECBINFHSA-N 1 2 294.319 -2.176 20 0 CAADLO Cn1ncc(C[NH2+][C@H](CO)CNC(=O)c2cnnn2C)n1 ZINC001369324912 887542723 /nfs/dbraw/zinc/54/27/23/887542723.db2.gz VKKKIKBOQFIWIK-VIFPVBQESA-N 1 2 294.319 -2.176 20 0 CAADLO COC1CC(C(=O)NC[C@@H](CO)[NH2+]Cc2nnnn2C)C1 ZINC001369329711 887544202 /nfs/dbraw/zinc/54/42/02/887544202.db2.gz BTXLMOOXIYVMHW-KYHHOPLUSA-N 1 2 298.347 -1.798 20 0 CAADLO Cc1nc(C[NH2+][C@H](CO)CNC(=O)[C@H]2CNC(=O)N2)co1 ZINC001369335646 887546005 /nfs/dbraw/zinc/54/60/05/887546005.db2.gz IWZQNMIVBQOXMW-WCBMZHEXSA-N 1 2 297.315 -1.769 20 0 CAADLO Cn1cncc1C(=O)NC[C@@H](CO)[NH2+]Cc1ncnn1C ZINC001369338526 887546601 /nfs/dbraw/zinc/54/66/01/887546601.db2.gz IETYAQKHHXWVEZ-VIFPVBQESA-N 1 2 293.331 -1.571 20 0 CAADLO Cc1nc(C[NH2+][C@H](CO)CNC(=O)[C@@H]2CNC(=O)N2)co1 ZINC001369335659 887547835 /nfs/dbraw/zinc/54/78/35/887547835.db2.gz IWZQNMIVBQOXMW-WPRPVWTQSA-N 1 2 297.315 -1.769 20 0 CAADLO Cc1nc(C[NH2+][C@@H](CO)CNC(=O)[C@H]2CNC(=O)N2)co1 ZINC001369335623 887548310 /nfs/dbraw/zinc/54/83/10/887548310.db2.gz IWZQNMIVBQOXMW-PSASIEDQSA-N 1 2 297.315 -1.769 20 0 CAADLO Cn1[nH]c(C[NH2+][C@@H](CO)CNC(=O)CCCF)nc1=O ZINC001369349292 887550391 /nfs/dbraw/zinc/55/03/91/887550391.db2.gz DTQMJEDGTAMICS-MRVPVSSYSA-N 1 2 289.311 -1.575 20 0 CAADLO Cn1nnnc1C[NH2+][C@H](CO)CNC(=O)c1ccnnc1 ZINC001369360553 887552470 /nfs/dbraw/zinc/55/24/70/887552470.db2.gz PTPXMTFHGRDJBY-VIFPVBQESA-N 1 2 292.303 -2.119 20 0 CAADLO C[C@H]1C[C@@H]1C(=O)NC[C@H](CO)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001369354818 887552618 /nfs/dbraw/zinc/55/26/18/887552618.db2.gz PFZMYKCSGZXZBN-YIZRAAEISA-N 1 2 283.332 -1.669 20 0 CAADLO CNC(=O)NCC(=O)NC[C@@H](CO)[NH2+]Cc1cn(C)nn1 ZINC001369351119 887553015 /nfs/dbraw/zinc/55/30/15/887553015.db2.gz ZYGWGONCLKPNOZ-VIFPVBQESA-N 1 2 299.335 -2.689 20 0 CAADLO CN1C(=O)CC[C@H]1C(=O)NC[C@H](CO)[NH2+]Cc1ccon1 ZINC001369356617 887553591 /nfs/dbraw/zinc/55/35/91/887553591.db2.gz WSTDGILJSLKEJM-MNOVXSKESA-N 1 2 296.327 -1.138 20 0 CAADLO CN1C[C@@H](C(=O)NC[C@@H](CO)[NH2+]Cc2ccon2)CC1=O ZINC001369350702 887553851 /nfs/dbraw/zinc/55/38/51/887553851.db2.gz YNFRQEOFJOVUIT-ONGXEEELSA-N 1 2 296.327 -1.280 20 0 CAADLO CN1C[C@H](C(=O)NC[C@@H](CO)[NH2+]Cc2ccon2)CC1=O ZINC001369350670 887554079 /nfs/dbraw/zinc/55/40/79/887554079.db2.gz YNFRQEOFJOVUIT-KOLCDFICSA-N 1 2 296.327 -1.280 20 0 CAADLO CC(C)[C@H](C)C(=O)NC[C@H](CO)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001369365876 887556253 /nfs/dbraw/zinc/55/62/53/887556253.db2.gz SHLQYXIFLZWDOU-VHSXEESVSA-N 1 2 299.375 -1.033 20 0 CAADLO Cc1cc(C[NH2+][C@@H](CO)CNC(=O)[C@H]2C[C@H]2C(N)=O)no1 ZINC001369364901 887557287 /nfs/dbraw/zinc/55/72/87/887557287.db2.gz ODOKCPAZDOEABG-MXWKQRLJSA-N 1 2 296.327 -1.329 20 0 CAADLO Cc1nonc1C[NH2+][C@@H](CO)CNC(=O)c1cnn(C)n1 ZINC001369364671 887557508 /nfs/dbraw/zinc/55/75/08/887557508.db2.gz SILTWXZZUVBDJW-MRVPVSSYSA-N 1 2 295.303 -1.613 20 0 CAADLO Cn1cc(C[NH2+][C@@H](CO)CNC(=O)[C@]2(C)CCOC2)nn1 ZINC001369378522 887560851 /nfs/dbraw/zinc/56/08/51/887560851.db2.gz ZADWLLUDJIBHFL-DGCLKSJQSA-N 1 2 297.359 -1.192 20 0 CAADLO Cn1c[nH+]cc1CC(=O)NC[C@H](CO)NCc1cnon1 ZINC001369378730 887561170 /nfs/dbraw/zinc/56/11/70/887561170.db2.gz IQSBBTBHRAKGCU-SNVBAGLBSA-N 1 2 294.315 -1.388 20 0 CAADLO Cn1ncc(C[NH2+][C@@H](CO)CNC(=O)Cc2ccc[nH]2)n1 ZINC001369378552 887561788 /nfs/dbraw/zinc/56/17/88/887561788.db2.gz OCPRNLHHJBIUCC-GFCCVEGCSA-N 1 2 292.343 -1.047 20 0 CAADLO O=C(Cn1cc[nH+]c1)NC[C@@H](CO)NCc1ncccn1 ZINC001369370126 887562307 /nfs/dbraw/zinc/56/23/07/887562307.db2.gz CDSUQXLSJXRNTJ-NSHDSACASA-N 1 2 290.327 -1.060 20 0 CAADLO Cn1ccc(C(=O)NC[C@H](CO)[NH2+]Cc2ncnn2C)n1 ZINC001369378202 887562974 /nfs/dbraw/zinc/56/29/74/887562974.db2.gz BLHNOLJWDQFVES-SECBINFHSA-N 1 2 293.331 -1.571 20 0 CAADLO Cc1cnoc1C(=O)NC[C@@H](CO)[NH2+]Cc1ncnn1C ZINC001369370502 887563189 /nfs/dbraw/zinc/56/31/89/887563189.db2.gz VYULRFROXKFSFI-VIFPVBQESA-N 1 2 294.315 -1.008 20 0 CAADLO CNC(=O)C[NH2+][C@H]1C[C@@H](C)N(C(=O)Cc2ncn[nH]2)C1 ZINC001369395629 887564317 /nfs/dbraw/zinc/56/43/17/887564317.db2.gz FDJXPIXATUPOPG-BDAKNGLRSA-N 1 2 280.332 -1.328 20 0 CAADLO CNC(=O)C[NH2+][C@H]1C[C@H](C)N(C(=O)Cc2ncn[nH]2)C1 ZINC001369395636 887564632 /nfs/dbraw/zinc/56/46/32/887564632.db2.gz FDJXPIXATUPOPG-IUCAKERBSA-N 1 2 280.332 -1.328 20 0 CAADLO CNC(=O)C[NH2+][C@@H]1C[C@H](C)N(C(=O)Cc2ncn[nH]2)C1 ZINC001369395631 887565263 /nfs/dbraw/zinc/56/52/63/887565263.db2.gz FDJXPIXATUPOPG-DTWKUNHWSA-N 1 2 280.332 -1.328 20 0 CAADLO CC(=O)N(C)C[C@H](O)C[NH2+]Cc1cc(=O)n2[nH]ccc2n1 ZINC001369447384 887568248 /nfs/dbraw/zinc/56/82/48/887568248.db2.gz ZAMRATZGYYCBLN-LLVKDONJSA-N 1 2 293.327 -1.049 20 0 CAADLO Cc1nnc(C[NH2+]C[C@H](O)CN(C)C(=O)c2cnon2)o1 ZINC001369467305 887575000 /nfs/dbraw/zinc/57/50/00/887575000.db2.gz AEPKZFCAYUEQPU-QMMMGPOBSA-N 1 2 296.287 -1.016 20 0 CAADLO COCC[N@H+](CCNC(=O)c1ccnc(C)n1)CC(N)=O ZINC001369549555 887581158 /nfs/dbraw/zinc/58/11/58/887581158.db2.gz AWMXETQGXHSLKW-UHFFFAOYSA-N 1 2 295.343 -1.051 20 0 CAADLO COCC[N@@H+](CCNC(=O)c1ccnc(C)n1)CC(N)=O ZINC001369549555 887581166 /nfs/dbraw/zinc/58/11/66/887581166.db2.gz AWMXETQGXHSLKW-UHFFFAOYSA-N 1 2 295.343 -1.051 20 0 CAADLO CNC(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)Cc1ccn[nH]1 ZINC001369500554 887581804 /nfs/dbraw/zinc/58/18/04/887581804.db2.gz UEYGMSZVIGYCOE-LLVKDONJSA-N 1 2 297.359 -1.551 20 0 CAADLO CNC(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)Cc1ccn[nH]1 ZINC001369500554 887581815 /nfs/dbraw/zinc/58/18/15/887581815.db2.gz UEYGMSZVIGYCOE-LLVKDONJSA-N 1 2 297.359 -1.551 20 0 CAADLO COCC[N@H+](CCNC(=O)c1cnon1)CC(=O)N(C)C ZINC001369556962 887586650 /nfs/dbraw/zinc/58/66/50/887586650.db2.gz RGMJEVPYWIFUEF-UHFFFAOYSA-N 1 2 299.331 -1.164 20 0 CAADLO COCC[N@@H+](CCNC(=O)c1cnon1)CC(=O)N(C)C ZINC001369556962 887586662 /nfs/dbraw/zinc/58/66/62/887586662.db2.gz RGMJEVPYWIFUEF-UHFFFAOYSA-N 1 2 299.331 -1.164 20 0 CAADLO CCNC(=O)CCC(=O)N[C@H]1CCC[N@H+](CC(N)=O)C1 ZINC001369803418 887590536 /nfs/dbraw/zinc/59/05/36/887590536.db2.gz QCIBTFKKPQWAJI-JTQLQIEISA-N 1 2 284.360 -1.031 20 0 CAADLO CCNC(=O)CCC(=O)N[C@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001369803418 887590548 /nfs/dbraw/zinc/59/05/48/887590548.db2.gz QCIBTFKKPQWAJI-JTQLQIEISA-N 1 2 284.360 -1.031 20 0 CAADLO Cn1ncc(CCC(=O)N[C@H]2CCC[N@H+](CC(N)=O)C2)n1 ZINC001369860660 887590932 /nfs/dbraw/zinc/59/09/32/887590932.db2.gz WHWVSHQKKAAPKQ-NSHDSACASA-N 1 2 294.359 -1.186 20 0 CAADLO Cn1ncc(CCC(=O)N[C@H]2CCC[N@@H+](CC(N)=O)C2)n1 ZINC001369860660 887590937 /nfs/dbraw/zinc/59/09/37/887590937.db2.gz WHWVSHQKKAAPKQ-NSHDSACASA-N 1 2 294.359 -1.186 20 0 CAADLO Cn1ncc(CCC(=O)N[C@@H]2CCC[N@H+](CC(N)=O)C2)n1 ZINC001369860647 887591123 /nfs/dbraw/zinc/59/11/23/887591123.db2.gz WHWVSHQKKAAPKQ-LLVKDONJSA-N 1 2 294.359 -1.186 20 0 CAADLO Cn1ncc(CCC(=O)N[C@@H]2CCC[N@@H+](CC(N)=O)C2)n1 ZINC001369860647 887591130 /nfs/dbraw/zinc/59/11/30/887591130.db2.gz WHWVSHQKKAAPKQ-LLVKDONJSA-N 1 2 294.359 -1.186 20 0 CAADLO CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)CNC(=O)NC)C1 ZINC001369816005 887591455 /nfs/dbraw/zinc/59/14/55/887591455.db2.gz HKFUZVSKBKFHHL-SNVBAGLBSA-N 1 2 299.375 -1.368 20 0 CAADLO CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)CNC(=O)NC)C1 ZINC001369816005 887591456 /nfs/dbraw/zinc/59/14/56/887591456.db2.gz HKFUZVSKBKFHHL-SNVBAGLBSA-N 1 2 299.375 -1.368 20 0 CAADLO CC[C@@H](C(N)=O)[NH+]1CCN(CCNC(=O)COC)CC1 ZINC001369866652 887591976 /nfs/dbraw/zinc/59/19/76/887591976.db2.gz GQPBASQVODSNJM-NSHDSACASA-N 1 2 286.376 -1.370 20 0 CAADLO Cn1nnnc1CN1CC[NH+](CCNC(=O)C2CC2)CC1 ZINC001369866270 887592703 /nfs/dbraw/zinc/59/27/03/887592703.db2.gz DWZRDNSXWDFDBX-UHFFFAOYSA-N 1 2 293.375 -1.146 20 0 CAADLO COCCC(=O)NCCN1CC[NH+]([C@@H](C)C(N)=O)CC1 ZINC001369868563 887592726 /nfs/dbraw/zinc/59/27/26/887592726.db2.gz MBABTJMCFKCHJN-NSHDSACASA-N 1 2 286.376 -1.370 20 0 CAADLO CNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)CCn2ccnn2)C1 ZINC001369800170 887592749 /nfs/dbraw/zinc/59/27/49/887592749.db2.gz NCUXCJIAQSKCRM-LLVKDONJSA-N 1 2 294.359 -1.005 20 0 CAADLO CNC(=O)C[N@H+]1CCC[C@@H](NC(=O)CCn2ccnn2)C1 ZINC001369800170 887592757 /nfs/dbraw/zinc/59/27/57/887592757.db2.gz NCUXCJIAQSKCRM-LLVKDONJSA-N 1 2 294.359 -1.005 20 0 CAADLO Cn1c[nH+]c(CCNC(=O)NC[C@@H]2CC(C(N)=O)=NO2)c1 ZINC001369844777 887592807 /nfs/dbraw/zinc/59/28/07/887592807.db2.gz BKAKLULWKAPZMW-VIFPVBQESA-N 1 2 294.315 -1.108 20 0 CAADLO Cn1c[nH+]c(CCNC(=O)NC[C@H]2CC(C(N)=O)=NO2)c1 ZINC001369844773 887592907 /nfs/dbraw/zinc/59/29/07/887592907.db2.gz BKAKLULWKAPZMW-SECBINFHSA-N 1 2 294.315 -1.108 20 0 CAADLO O=C(CCn1cnnn1)NCC[NH+]1CCN(CCF)CC1 ZINC001369924702 887594327 /nfs/dbraw/zinc/59/43/27/887594327.db2.gz COONDTMPAQILJH-UHFFFAOYSA-N 1 2 299.354 -1.234 20 0 CAADLO NC(=O)NC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCOC2)C1 ZINC001369966863 887594355 /nfs/dbraw/zinc/59/43/55/887594355.db2.gz ONHMBYJXSDWTNY-UWVGGRQHSA-N 1 2 298.343 -1.202 20 0 CAADLO NC(=O)NC(=O)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCCOC2)C1 ZINC001369966863 887594358 /nfs/dbraw/zinc/59/43/58/887594358.db2.gz ONHMBYJXSDWTNY-UWVGGRQHSA-N 1 2 298.343 -1.202 20 0 CAADLO NC(=O)NC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCOC2)C1 ZINC001369966881 887594543 /nfs/dbraw/zinc/59/45/43/887594543.db2.gz ONHMBYJXSDWTNY-ZJUUUORDSA-N 1 2 298.343 -1.202 20 0 CAADLO NC(=O)NC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCOC2)C1 ZINC001369966881 887594552 /nfs/dbraw/zinc/59/45/52/887594552.db2.gz ONHMBYJXSDWTNY-ZJUUUORDSA-N 1 2 298.343 -1.202 20 0 CAADLO NC(=O)NC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCOC2)C1 ZINC001369966848 887594970 /nfs/dbraw/zinc/59/49/70/887594970.db2.gz ONHMBYJXSDWTNY-NXEZZACHSA-N 1 2 298.343 -1.202 20 0 CAADLO NC(=O)NC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCOC2)C1 ZINC001369966848 887594978 /nfs/dbraw/zinc/59/49/78/887594978.db2.gz ONHMBYJXSDWTNY-NXEZZACHSA-N 1 2 298.343 -1.202 20 0 CAADLO CNC(=O)NC(=O)C[N@@H+]1CC[C@@H](NC(=O)COC)C1 ZINC001369941160 887595551 /nfs/dbraw/zinc/59/55/51/887595551.db2.gz WFGOCVFNXALBOZ-MRVPVSSYSA-N 1 2 272.305 -1.721 20 0 CAADLO CNC(=O)NC(=O)C[N@H+]1CC[C@@H](NC(=O)COC)C1 ZINC001369941160 887595564 /nfs/dbraw/zinc/59/55/64/887595564.db2.gz WFGOCVFNXALBOZ-MRVPVSSYSA-N 1 2 272.305 -1.721 20 0 CAADLO CCS(=O)(=O)NCC[N@@H+]1CC[C@@H](NC(=O)COC)C1 ZINC001369944128 887596635 /nfs/dbraw/zinc/59/66/35/887596635.db2.gz XOYKNCQUYQMQDO-SNVBAGLBSA-N 1 2 293.389 -1.237 20 0 CAADLO CCS(=O)(=O)NCC[N@H+]1CC[C@@H](NC(=O)COC)C1 ZINC001369944128 887596640 /nfs/dbraw/zinc/59/66/40/887596640.db2.gz XOYKNCQUYQMQDO-SNVBAGLBSA-N 1 2 293.389 -1.237 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)CNC(=O)N2CCCC2)C1 ZINC001369988467 887597783 /nfs/dbraw/zinc/59/77/83/887597783.db2.gz SCNWVNSVAHHKCW-JTQLQIEISA-N 1 2 297.359 -1.532 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)CNC(=O)N2CCCC2)C1 ZINC001369988467 887597790 /nfs/dbraw/zinc/59/77/90/887597790.db2.gz SCNWVNSVAHHKCW-JTQLQIEISA-N 1 2 297.359 -1.532 20 0 CAADLO CCS(=O)(=O)CC(=O)N[C@H]1CC[N@H+](C[C@@H](C)O)C1 ZINC001370057277 887598737 /nfs/dbraw/zinc/59/87/37/887598737.db2.gz CCPYBMQMHGFOPP-ZJUUUORDSA-N 1 2 278.374 -1.008 20 0 CAADLO CCS(=O)(=O)CC(=O)N[C@H]1CC[N@@H+](C[C@@H](C)O)C1 ZINC001370057277 887598749 /nfs/dbraw/zinc/59/87/49/887598749.db2.gz CCPYBMQMHGFOPP-ZJUUUORDSA-N 1 2 278.374 -1.008 20 0 CAADLO CCS(=O)(=O)CC(=O)N[C@H]1CC[N@H+](C[C@H](C)O)C1 ZINC001370057273 887598774 /nfs/dbraw/zinc/59/87/74/887598774.db2.gz CCPYBMQMHGFOPP-UWVGGRQHSA-N 1 2 278.374 -1.008 20 0 CAADLO CCS(=O)(=O)CC(=O)N[C@H]1CC[N@@H+](C[C@H](C)O)C1 ZINC001370057273 887598786 /nfs/dbraw/zinc/59/87/86/887598786.db2.gz CCPYBMQMHGFOPP-UWVGGRQHSA-N 1 2 278.374 -1.008 20 0 CAADLO CCN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)c2nnn(C)n2)C1 ZINC001370002228 887599318 /nfs/dbraw/zinc/59/93/18/887599318.db2.gz DUJJIRXSHWIMPN-VIFPVBQESA-N 1 2 295.347 -1.508 20 0 CAADLO CCN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)c2nnn(C)n2)C1 ZINC001370002228 887599332 /nfs/dbraw/zinc/59/93/32/887599332.db2.gz DUJJIRXSHWIMPN-VIFPVBQESA-N 1 2 295.347 -1.508 20 0 CAADLO CCS(=O)(=O)NCC(=O)N[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001369973627 887599961 /nfs/dbraw/zinc/59/99/61/887599961.db2.gz CRZQBLBBDBCQDF-MRVPVSSYSA-N 1 2 292.361 -2.399 20 0 CAADLO CCS(=O)(=O)CC(=O)N[C@@H]1CC[N@H+](C[C@@H](C)O)C1 ZINC001370057272 887600787 /nfs/dbraw/zinc/60/07/87/887600787.db2.gz CCPYBMQMHGFOPP-NXEZZACHSA-N 1 2 278.374 -1.008 20 0 CAADLO CCS(=O)(=O)CC(=O)N[C@@H]1CC[N@@H+](C[C@@H](C)O)C1 ZINC001370057272 887600791 /nfs/dbraw/zinc/60/07/91/887600791.db2.gz CCPYBMQMHGFOPP-NXEZZACHSA-N 1 2 278.374 -1.008 20 0 CAADLO CC(=O)NC(C)(C)C(=O)N[C@H]1CC[N@@H+]([C@@H](C)C(N)=O)C1 ZINC001370029110 887600882 /nfs/dbraw/zinc/60/08/82/887600882.db2.gz HLFSAUVEVFNFHR-WPRPVWTQSA-N 1 2 284.360 -1.035 20 0 CAADLO CC(=O)NC(C)(C)C(=O)N[C@H]1CC[N@H+]([C@@H](C)C(N)=O)C1 ZINC001370029110 887600886 /nfs/dbraw/zinc/60/08/86/887600886.db2.gz HLFSAUVEVFNFHR-WPRPVWTQSA-N 1 2 284.360 -1.035 20 0 CAADLO CCCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CNC(=O)NC)C1 ZINC001369978833 887600896 /nfs/dbraw/zinc/60/08/96/887600896.db2.gz SIEDOZWHECZTDE-SNVBAGLBSA-N 1 2 299.375 -1.368 20 0 CAADLO CCCNC(=O)C[N@H+]1CC[C@@H](NC(=O)CNC(=O)NC)C1 ZINC001369978833 887600899 /nfs/dbraw/zinc/60/08/99/887600899.db2.gz SIEDOZWHECZTDE-SNVBAGLBSA-N 1 2 299.375 -1.368 20 0 CAADLO CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ncn(C)n2)C1 ZINC001369980414 887600969 /nfs/dbraw/zinc/60/09/69/887600969.db2.gz YNGPYYTVSHQKGT-SECBINFHSA-N 1 2 280.332 -1.245 20 0 CAADLO CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2ncn(C)n2)C1 ZINC001369980414 887600973 /nfs/dbraw/zinc/60/09/73/887600973.db2.gz YNGPYYTVSHQKGT-SECBINFHSA-N 1 2 280.332 -1.245 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)CO[C@@H]2CCOC2)C1 ZINC001369979923 887601091 /nfs/dbraw/zinc/60/10/91/887601091.db2.gz AXDPFYLZGNFRBI-WDEREUQCSA-N 1 2 285.344 -1.272 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)CO[C@@H]2CCOC2)C1 ZINC001369979923 887601096 /nfs/dbraw/zinc/60/10/96/887601096.db2.gz AXDPFYLZGNFRBI-WDEREUQCSA-N 1 2 285.344 -1.272 20 0 CAADLO CC(=O)NCC(=O)N(C)C[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001370433904 887607943 /nfs/dbraw/zinc/60/79/43/887607943.db2.gz PKWPQRHRKGNHFX-JTQLQIEISA-N 1 2 295.343 -1.018 20 0 CAADLO CC(=O)NCC(=O)N(C)C[C@@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001370433907 887609754 /nfs/dbraw/zinc/60/97/54/887609754.db2.gz PKWPQRHRKGNHFX-SNVBAGLBSA-N 1 2 295.343 -1.018 20 0 CAADLO COCC(=O)NC[C@@H](CO)NC(=O)CCn1cc[nH+]c1 ZINC001370636870 887618340 /nfs/dbraw/zinc/61/83/40/887618340.db2.gz JOPMCCCIIJBTTA-JTQLQIEISA-N 1 2 284.316 -1.487 20 0 CAADLO COCC(=O)NC[C@H](CO)NC(=O)CCn1cc[nH+]c1 ZINC001370636875 887618749 /nfs/dbraw/zinc/61/87/49/887618749.db2.gz JOPMCCCIIJBTTA-SNVBAGLBSA-N 1 2 284.316 -1.487 20 0 CAADLO COCC(=O)NC[C@@H](CO)NC(=O)Cc1[nH]cc[nH+]1 ZINC001370644556 887618841 /nfs/dbraw/zinc/61/88/41/887618841.db2.gz VDQBWVTZZXLWBW-QMMMGPOBSA-N 1 2 270.289 -1.808 20 0 CAADLO O=C(Cn1cc[nH+]c1)N[C@H](CO)CNC(=O)[C@H]1CCCO1 ZINC001370649016 887620862 /nfs/dbraw/zinc/62/08/62/887620862.db2.gz QZOCCCQBNMYYTN-WDEREUQCSA-N 1 2 296.327 -1.345 20 0 CAADLO CC[C@H](OC)C(=O)NC[C@H](CO)NC(=O)Cc1[nH]cc[nH+]1 ZINC001370664483 887623386 /nfs/dbraw/zinc/62/33/86/887623386.db2.gz UOOIHOBPRISXIG-ZJUUUORDSA-N 1 2 298.343 -1.030 20 0 CAADLO CC[C@@H](OC)C(=O)NC[C@H](CO)NC(=O)Cc1[nH]cc[nH+]1 ZINC001370664475 887623430 /nfs/dbraw/zinc/62/34/30/887623430.db2.gz UOOIHOBPRISXIG-NXEZZACHSA-N 1 2 298.343 -1.030 20 0 CAADLO CC[C@@H](OC)C(=O)NC[C@@H](CO)NC(=O)Cc1[nH]cc[nH+]1 ZINC001370664481 887623801 /nfs/dbraw/zinc/62/38/01/887623801.db2.gz UOOIHOBPRISXIG-VHSXEESVSA-N 1 2 298.343 -1.030 20 0 CAADLO CCOCC(=O)N[C@@H](CO)CNC(=O)Cn1cc[nH+]c1 ZINC001370729610 887634052 /nfs/dbraw/zinc/63/40/52/887634052.db2.gz YBMKDZOFKKUHHB-SNVBAGLBSA-N 1 2 284.316 -1.487 20 0 CAADLO CCO[C@@H](C)C(=O)N[C@H](CO)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001370770678 887635173 /nfs/dbraw/zinc/63/51/73/887635173.db2.gz HDGRRFALZBQXSX-UWVGGRQHSA-N 1 2 298.343 -1.030 20 0 CAADLO CC[C@H](OC)C(=O)N[C@@H](CO)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001370795792 887635609 /nfs/dbraw/zinc/63/56/09/887635609.db2.gz CDAUOJBUHKLAGI-MNOVXSKESA-N 1 2 298.343 -1.030 20 0 CAADLO CC[C@@H](OC)C(=O)N[C@@H](CO)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001370795786 887636620 /nfs/dbraw/zinc/63/66/20/887636620.db2.gz CDAUOJBUHKLAGI-GHMZBOCLSA-N 1 2 298.343 -1.030 20 0 CAADLO CCO[C@H](C)C(=O)N[C@@H](CO)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001370770677 887636718 /nfs/dbraw/zinc/63/67/18/887636718.db2.gz HDGRRFALZBQXSX-NXEZZACHSA-N 1 2 298.343 -1.030 20 0 CAADLO COCC(=O)NC[C@H](O)CN(C)C(=O)Cn1cc[nH+]c1 ZINC001371006482 887645122 /nfs/dbraw/zinc/64/51/22/887645122.db2.gz WZAOXOQVIHCQRC-JTQLQIEISA-N 1 2 284.316 -1.535 20 0 CAADLO COCCC(=O)NC[C@@H](O)CN(C)C(=O)Cn1cc[nH+]c1 ZINC001371001808 887646001 /nfs/dbraw/zinc/64/60/01/887646001.db2.gz MIWHUPUPNOBWPD-LLVKDONJSA-N 1 2 298.343 -1.145 20 0 CAADLO CNC(=O)Cc1noc(C[NH2+][C@@H](C)CNC(=O)COC)n1 ZINC001371085451 887647124 /nfs/dbraw/zinc/64/71/24/887647124.db2.gz HORACYYXZIROPA-QMMMGPOBSA-N 1 2 299.331 -1.401 20 0 CAADLO C[C@@H](CNC(=O)CS(C)(=O)=O)[NH2+]Cc1cnon1 ZINC001371130603 887648094 /nfs/dbraw/zinc/64/80/94/887648094.db2.gz VBYVLRYHQIZSEE-ZETCQYMHSA-N 1 2 276.318 -1.292 20 0 CAADLO C[C@@H](CNC(=O)Cn1cnnn1)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001371101460 887648532 /nfs/dbraw/zinc/64/85/32/887648532.db2.gz HGZAQFJSGOWXSV-ZETCQYMHSA-N 1 2 295.307 -2.611 20 0 CAADLO C[C@@H](CNC(=O)CN1CCOCC1=O)[NH2+]Cc1cnon1 ZINC001371213839 887651945 /nfs/dbraw/zinc/65/19/45/887651945.db2.gz RMTCWLGHLDFJHU-VIFPVBQESA-N 1 2 297.315 -1.477 20 0 CAADLO C[C@@H](CNC(=O)[C@]12C[C@H]1COC2)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001371183839 887653428 /nfs/dbraw/zinc/65/34/28/887653428.db2.gz FAGKWHLNIZFYDW-RVBZMBCESA-N 1 2 295.343 -1.261 20 0 CAADLO C[C@@H](CNC(=O)[C@@H]1CNC(=O)N1)[NH2+]Cc1nncs1 ZINC001371342755 887655107 /nfs/dbraw/zinc/65/51/07/887655107.db2.gz HIESPZIXRLJIHO-BQBZGAKWSA-N 1 2 284.345 -1.186 20 0 CAADLO C[C@H](CNC(=O)[C@@H]1CNC(=O)N1)[NH2+]Cc1nncs1 ZINC001371342758 887656882 /nfs/dbraw/zinc/65/68/82/887656882.db2.gz HIESPZIXRLJIHO-RQJHMYQMSA-N 1 2 284.345 -1.186 20 0 CAADLO COCCC(=O)N1C[C@@H](NC(=O)Cc2c[nH]c[nH+]2)[C@@H](O)C1 ZINC001371545727 887669122 /nfs/dbraw/zinc/66/91/22/887669122.db2.gz ZCDREDHWANRIIZ-MNOVXSKESA-N 1 2 296.327 -1.323 20 0 CAADLO COCC(=O)NCC[N@H+](C)CC(=O)NC[C@@H]1CCCO1 ZINC001371894114 887674848 /nfs/dbraw/zinc/67/48/48/887674848.db2.gz HLHHELMTYJGQIZ-NSHDSACASA-N 1 2 287.360 -1.024 20 0 CAADLO COCC(=O)NCC[N@@H+](C)CC(=O)NC[C@@H]1CCCO1 ZINC001371894114 887674852 /nfs/dbraw/zinc/67/48/52/887674852.db2.gz HLHHELMTYJGQIZ-NSHDSACASA-N 1 2 287.360 -1.024 20 0 CAADLO COCC(=O)NCC[N@H+](C)CC(=O)NC[C@H]1CCCO1 ZINC001371894112 887675039 /nfs/dbraw/zinc/67/50/39/887675039.db2.gz HLHHELMTYJGQIZ-LLVKDONJSA-N 1 2 287.360 -1.024 20 0 CAADLO COCC(=O)NCC[N@@H+](C)CC(=O)NC[C@H]1CCCO1 ZINC001371894112 887675044 /nfs/dbraw/zinc/67/50/44/887675044.db2.gz HLHHELMTYJGQIZ-LLVKDONJSA-N 1 2 287.360 -1.024 20 0 CAADLO CCS(=O)(=O)NCC(=O)NCC[N@H+](C)CC(N)=O ZINC001371984460 887677143 /nfs/dbraw/zinc/67/71/43/887677143.db2.gz VYWHLIMBPXWYPU-UHFFFAOYSA-N 1 2 280.350 -2.541 20 0 CAADLO CCS(=O)(=O)NCC(=O)NCC[N@@H+](C)CC(N)=O ZINC001371984460 887677148 /nfs/dbraw/zinc/67/71/48/887677148.db2.gz VYWHLIMBPXWYPU-UHFFFAOYSA-N 1 2 280.350 -2.541 20 0 CAADLO CN(C)C(=O)C[N@H+](C)CCNC(=O)c1nccnc1N ZINC001371935783 887677709 /nfs/dbraw/zinc/67/77/09/887677709.db2.gz VSFLHLWSWUVCHV-UHFFFAOYSA-N 1 2 280.332 -1.191 20 0 CAADLO CN(C)C(=O)C[N@@H+](C)CCNC(=O)c1nccnc1N ZINC001371935783 887677711 /nfs/dbraw/zinc/67/77/11/887677711.db2.gz VSFLHLWSWUVCHV-UHFFFAOYSA-N 1 2 280.332 -1.191 20 0 CAADLO Cn1[nH]c(C[N@H+](C)CCNC(=O)c2ncc[nH]2)nc1=O ZINC001371965030 887679689 /nfs/dbraw/zinc/67/96/89/887679689.db2.gz PVGQYFQQQNTDAD-UHFFFAOYSA-N 1 2 279.304 -1.307 20 0 CAADLO Cn1[nH]c(C[N@@H+](C)CCNC(=O)c2ncc[nH]2)nc1=O ZINC001371965030 887679696 /nfs/dbraw/zinc/67/96/96/887679696.db2.gz PVGQYFQQQNTDAD-UHFFFAOYSA-N 1 2 279.304 -1.307 20 0 CAADLO C[N@H+](CCNC(=O)c1ccn2nnnc2c1)CC(N)=O ZINC001372059673 887681374 /nfs/dbraw/zinc/68/13/74/887681374.db2.gz OLJBHTVGPDAQEP-UHFFFAOYSA-N 1 2 277.288 -1.729 20 0 CAADLO C[N@@H+](CCNC(=O)c1ccn2nnnc2c1)CC(N)=O ZINC001372059673 887681379 /nfs/dbraw/zinc/68/13/79/887681379.db2.gz OLJBHTVGPDAQEP-UHFFFAOYSA-N 1 2 277.288 -1.729 20 0 CAADLO CNC(=O)C[N@H+](C)CCNC(=O)c1cn(C)nc1COC ZINC001372032783 887681392 /nfs/dbraw/zinc/68/13/92/887681392.db2.gz VKIOOAKRIDYPSV-UHFFFAOYSA-N 1 2 297.359 -1.026 20 0 CAADLO CNC(=O)C[N@@H+](C)CCNC(=O)c1cn(C)nc1COC ZINC001372032783 887681398 /nfs/dbraw/zinc/68/13/98/887681398.db2.gz VKIOOAKRIDYPSV-UHFFFAOYSA-N 1 2 297.359 -1.026 20 0 CAADLO Cc1cnc2nc(C(=O)NCC[N@@H+](C)CC(N)=O)nn2c1 ZINC001372004199 887682280 /nfs/dbraw/zinc/68/22/80/887682280.db2.gz HHNTVYUVBGFZOW-UHFFFAOYSA-N 1 2 291.315 -1.420 20 0 CAADLO Cc1cnc2nc(C(=O)NCC[N@H+](C)CC(N)=O)nn2c1 ZINC001372004199 887682283 /nfs/dbraw/zinc/68/22/83/887682283.db2.gz HHNTVYUVBGFZOW-UHFFFAOYSA-N 1 2 291.315 -1.420 20 0 CAADLO C[N@H+](CCNC(=O)c1cn[nH]n1)CCNS(C)(=O)=O ZINC001372029835 887682560 /nfs/dbraw/zinc/68/25/60/887682560.db2.gz SOVNQGPCHSLBQC-UHFFFAOYSA-N 1 2 290.349 -1.985 20 0 CAADLO C[N@@H+](CCNC(=O)c1cn[nH]n1)CCNS(C)(=O)=O ZINC001372029835 887682564 /nfs/dbraw/zinc/68/25/64/887682564.db2.gz SOVNQGPCHSLBQC-UHFFFAOYSA-N 1 2 290.349 -1.985 20 0 CAADLO CN1C[C@@H](C(=O)NCC[N@H+](C)CC(=O)N2CCC2)CC1=O ZINC001371997914 887682587 /nfs/dbraw/zinc/68/25/87/887682587.db2.gz UAKGHXAACKONSM-NSHDSACASA-N 1 2 296.371 -1.255 20 0 CAADLO CN1C[C@@H](C(=O)NCC[N@@H+](C)CC(=O)N2CCC2)CC1=O ZINC001371997914 887682596 /nfs/dbraw/zinc/68/25/96/887682596.db2.gz UAKGHXAACKONSM-NSHDSACASA-N 1 2 296.371 -1.255 20 0 CAADLO C[C@@H]1C[C@H]1C(=O)NCC[N@H+](C)CC(=O)N1CCNC(=O)C1 ZINC001372059790 887682904 /nfs/dbraw/zinc/68/29/04/887682904.db2.gz OZOSDJYHEBJNAQ-GHMZBOCLSA-N 1 2 296.371 -1.351 20 0 CAADLO C[C@@H]1C[C@H]1C(=O)NCC[N@@H+](C)CC(=O)N1CCNC(=O)C1 ZINC001372059790 887682909 /nfs/dbraw/zinc/68/29/09/887682909.db2.gz OZOSDJYHEBJNAQ-GHMZBOCLSA-N 1 2 296.371 -1.351 20 0 CAADLO CNC(=O)C[N@H+](C)CCNC(=O)C[C@@H]1CCCC(=O)N1 ZINC001372031902 887682941 /nfs/dbraw/zinc/68/29/41/887682941.db2.gz YOVVHZNQQDVUJE-JTQLQIEISA-N 1 2 284.360 -1.161 20 0 CAADLO CNC(=O)C[N@@H+](C)CCNC(=O)C[C@@H]1CCCC(=O)N1 ZINC001372031902 887682952 /nfs/dbraw/zinc/68/29/52/887682952.db2.gz YOVVHZNQQDVUJE-JTQLQIEISA-N 1 2 284.360 -1.161 20 0 CAADLO CNC(=O)C[N@H+](C)CCNC(=O)CN1CCNC(=O)C1 ZINC001372058115 887683145 /nfs/dbraw/zinc/68/31/45/887683145.db2.gz JDPZLBUUGWYPKW-UHFFFAOYSA-N 1 2 285.348 -2.788 20 0 CAADLO CNC(=O)C[N@@H+](C)CCNC(=O)CN1CCNC(=O)C1 ZINC001372058115 887683153 /nfs/dbraw/zinc/68/31/53/887683153.db2.gz JDPZLBUUGWYPKW-UHFFFAOYSA-N 1 2 285.348 -2.788 20 0 CAADLO C[N@H+](CCNC(=O)c1ccc2nnnn2c1)CC(N)=O ZINC001372038940 887683381 /nfs/dbraw/zinc/68/33/81/887683381.db2.gz HXGXUQILMAFXMG-UHFFFAOYSA-N 1 2 277.288 -1.729 20 0 CAADLO C[N@@H+](CCNC(=O)c1ccc2nnnn2c1)CC(N)=O ZINC001372038940 887683385 /nfs/dbraw/zinc/68/33/85/887683385.db2.gz HXGXUQILMAFXMG-UHFFFAOYSA-N 1 2 277.288 -1.729 20 0 CAADLO Cn1nnc(C(=O)NCC[N@H+](C)CC(=O)N2CCCC2)n1 ZINC001372135081 887684958 /nfs/dbraw/zinc/68/49/58/887684958.db2.gz PRFJVRRNQLAEGX-UHFFFAOYSA-N 1 2 295.347 -1.506 20 0 CAADLO Cn1nnc(C(=O)NCC[N@@H+](C)CC(=O)N2CCCC2)n1 ZINC001372135081 887684972 /nfs/dbraw/zinc/68/49/72/887684972.db2.gz PRFJVRRNQLAEGX-UHFFFAOYSA-N 1 2 295.347 -1.506 20 0 CAADLO CC(C)NC(=O)C[N@H+](C)CCNC(=O)[C@@H]1CNC(=O)N1 ZINC001372094021 887685115 /nfs/dbraw/zinc/68/51/15/887685115.db2.gz UOLDVARZAWZPFV-VIFPVBQESA-N 1 2 285.348 -1.760 20 0 CAADLO CC(C)NC(=O)C[N@@H+](C)CCNC(=O)[C@@H]1CNC(=O)N1 ZINC001372094021 887685121 /nfs/dbraw/zinc/68/51/21/887685121.db2.gz UOLDVARZAWZPFV-VIFPVBQESA-N 1 2 285.348 -1.760 20 0 CAADLO Cn1cncc1CC(=O)NCC[N@H+](C)CC(=O)NC(N)=O ZINC001372181114 887685291 /nfs/dbraw/zinc/68/52/91/887685291.db2.gz ARUJLVVZGWUIPC-UHFFFAOYSA-N 1 2 296.331 -1.795 20 0 CAADLO Cn1cncc1CC(=O)NCC[N@@H+](C)CC(=O)NC(N)=O ZINC001372181114 887685300 /nfs/dbraw/zinc/68/53/00/887685300.db2.gz ARUJLVVZGWUIPC-UHFFFAOYSA-N 1 2 296.331 -1.795 20 0 CAADLO CC(C)CNC(=O)C[N@H+](C)CCNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001372109407 887686058 /nfs/dbraw/zinc/68/60/58/887686058.db2.gz MLQLEPIUUGXLQG-MNOVXSKESA-N 1 2 298.387 -1.072 20 0 CAADLO CC(C)CNC(=O)C[N@@H+](C)CCNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001372109407 887686059 /nfs/dbraw/zinc/68/60/59/887686059.db2.gz MLQLEPIUUGXLQG-MNOVXSKESA-N 1 2 298.387 -1.072 20 0 CAADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)NCc1nc(N)n[nH]1 ZINC001372133580 887686096 /nfs/dbraw/zinc/68/60/96/887686096.db2.gz RXKGWCXXTBNZBI-MRVPVSSYSA-N 1 2 283.336 -1.093 20 0 CAADLO C[C@@H]1COCC[N@H+]1CCNC(=O)NCc1nc(N)n[nH]1 ZINC001372133580 887686102 /nfs/dbraw/zinc/68/61/02/887686102.db2.gz RXKGWCXXTBNZBI-MRVPVSSYSA-N 1 2 283.336 -1.093 20 0 CAADLO C[N@H+](CCNC(=O)[C@]1(C)CCC(=O)N1)CC(=O)N1CCC1 ZINC001372114797 887686112 /nfs/dbraw/zinc/68/61/12/887686112.db2.gz ODBQOVKSBYEWJQ-AWEZNQCLSA-N 1 2 296.371 -1.065 20 0 CAADLO C[N@@H+](CCNC(=O)[C@]1(C)CCC(=O)N1)CC(=O)N1CCC1 ZINC001372114797 887686113 /nfs/dbraw/zinc/68/61/13/887686113.db2.gz ODBQOVKSBYEWJQ-AWEZNQCLSA-N 1 2 296.371 -1.065 20 0 CAADLO CC(C)NC(=O)C[N@H+](C)CCNC(=O)[C@H]1CNC(=O)N1 ZINC001372094018 887686510 /nfs/dbraw/zinc/68/65/10/887686510.db2.gz UOLDVARZAWZPFV-SECBINFHSA-N 1 2 285.348 -1.760 20 0 CAADLO CC(C)NC(=O)C[N@@H+](C)CCNC(=O)[C@H]1CNC(=O)N1 ZINC001372094018 887686516 /nfs/dbraw/zinc/68/65/16/887686516.db2.gz UOLDVARZAWZPFV-SECBINFHSA-N 1 2 285.348 -1.760 20 0 CAADLO C[N@H+](CCNC(=O)c1nccn2ccnc12)CC(N)=O ZINC001372116174 887686783 /nfs/dbraw/zinc/68/67/83/887686783.db2.gz JHIWSALYRPUYON-UHFFFAOYSA-N 1 2 276.300 -1.124 20 0 CAADLO C[N@@H+](CCNC(=O)c1nccn2ccnc12)CC(N)=O ZINC001372116174 887686792 /nfs/dbraw/zinc/68/67/92/887686792.db2.gz JHIWSALYRPUYON-UHFFFAOYSA-N 1 2 276.300 -1.124 20 0 CAADLO CCC(=O)N1CC[C@@H](C(=O)NCC[N@H+](C)CC(N)=O)C1 ZINC001372187310 887686867 /nfs/dbraw/zinc/68/68/67/887686867.db2.gz ZLWKMVRMVPSTOZ-SNVBAGLBSA-N 1 2 284.360 -1.222 20 0 CAADLO CCC(=O)N1CC[C@@H](C(=O)NCC[N@@H+](C)CC(N)=O)C1 ZINC001372187310 887686882 /nfs/dbraw/zinc/68/68/82/887686882.db2.gz ZLWKMVRMVPSTOZ-SNVBAGLBSA-N 1 2 284.360 -1.222 20 0 CAADLO C[C@H]1COCC[N@@H+]1CCNC(=O)NCc1nc(N)n[nH]1 ZINC001372133582 887687512 /nfs/dbraw/zinc/68/75/12/887687512.db2.gz RXKGWCXXTBNZBI-QMMMGPOBSA-N 1 2 283.336 -1.093 20 0 CAADLO C[C@H]1COCC[N@H+]1CCNC(=O)NCc1nc(N)n[nH]1 ZINC001372133582 887687521 /nfs/dbraw/zinc/68/75/21/887687521.db2.gz RXKGWCXXTBNZBI-QMMMGPOBSA-N 1 2 283.336 -1.093 20 0 CAADLO CN(C)C(=O)C[N@H+](C)CCNC(=O)c1ccc(=O)n(C)n1 ZINC001372209140 887688800 /nfs/dbraw/zinc/68/88/00/887688800.db2.gz SWZRBIYYSVALNB-UHFFFAOYSA-N 1 2 295.343 -1.470 20 0 CAADLO CN(C)C(=O)C[N@@H+](C)CCNC(=O)c1ccc(=O)n(C)n1 ZINC001372209140 887688808 /nfs/dbraw/zinc/68/88/08/887688808.db2.gz SWZRBIYYSVALNB-UHFFFAOYSA-N 1 2 295.343 -1.470 20 0 CAADLO C[N@H+](CCNC(=O)[C@@H]1CCS(=O)(=O)N1)CC(N)=O ZINC001372221884 887689248 /nfs/dbraw/zinc/68/92/48/887689248.db2.gz IPFJPDHZUCBRMT-ZETCQYMHSA-N 1 2 278.334 -2.789 20 0 CAADLO C[N@@H+](CCNC(=O)[C@@H]1CCS(=O)(=O)N1)CC(N)=O ZINC001372221884 887689255 /nfs/dbraw/zinc/68/92/55/887689255.db2.gz IPFJPDHZUCBRMT-ZETCQYMHSA-N 1 2 278.334 -2.789 20 0 CAADLO CNC(=O)C[N@H+](C)CCNC(=O)c1cccnc1C(N)=O ZINC001372236284 887690046 /nfs/dbraw/zinc/69/00/46/887690046.db2.gz HOVFLKHGESYUFB-UHFFFAOYSA-N 1 2 293.327 -1.412 20 0 CAADLO CNC(=O)C[N@@H+](C)CCNC(=O)c1cccnc1C(N)=O ZINC001372236284 887690051 /nfs/dbraw/zinc/69/00/51/887690051.db2.gz HOVFLKHGESYUFB-UHFFFAOYSA-N 1 2 293.327 -1.412 20 0 CAADLO C[N@H+](CCNC(=O)Cc1nc2ncccn2n1)CC(N)=O ZINC001372221908 887690142 /nfs/dbraw/zinc/69/01/42/887690142.db2.gz TWISLHIKQBMDJD-UHFFFAOYSA-N 1 2 291.315 -1.800 20 0 CAADLO C[N@@H+](CCNC(=O)Cc1nc2ncccn2n1)CC(N)=O ZINC001372221908 887690148 /nfs/dbraw/zinc/69/01/48/887690148.db2.gz TWISLHIKQBMDJD-UHFFFAOYSA-N 1 2 291.315 -1.800 20 0 CAADLO CNC(=O)C[N@H+](C)CCNC(=O)[C@@H]1CCc2nncn2C1 ZINC001372245838 887690188 /nfs/dbraw/zinc/69/01/88/887690188.db2.gz XEOGURQSZQPTTG-SNVBAGLBSA-N 1 2 294.359 -1.366 20 0 CAADLO CNC(=O)C[N@@H+](C)CCNC(=O)[C@@H]1CCc2nncn2C1 ZINC001372245838 887690194 /nfs/dbraw/zinc/69/01/94/887690194.db2.gz XEOGURQSZQPTTG-SNVBAGLBSA-N 1 2 294.359 -1.366 20 0 CAADLO CNC(=O)C[N@H+](C)CCNC(=O)COC[C@H]1CCCO1 ZINC001372250285 887690221 /nfs/dbraw/zinc/69/02/21/887690221.db2.gz BYQNXEFDKPTADD-LLVKDONJSA-N 1 2 287.360 -1.024 20 0 CAADLO CNC(=O)C[N@@H+](C)CCNC(=O)COC[C@H]1CCCO1 ZINC001372250285 887690228 /nfs/dbraw/zinc/69/02/28/887690228.db2.gz BYQNXEFDKPTADD-LLVKDONJSA-N 1 2 287.360 -1.024 20 0 CAADLO CC(=O)NCC(=O)N[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001372245951 887690435 /nfs/dbraw/zinc/69/04/35/887690435.db2.gz VTZQDLUOBBKLAP-SNVBAGLBSA-N 1 2 293.327 -1.195 20 0 CAADLO CC[N@H+](CCNC(=O)c1nnn(C)n1)Cc1cnnn1C ZINC001372391120 887696716 /nfs/dbraw/zinc/69/67/16/887696716.db2.gz JGZWBEGVRMPEMB-UHFFFAOYSA-N 1 2 293.335 -1.410 20 0 CAADLO CC[N@@H+](CCNC(=O)c1nnn(C)n1)Cc1cnnn1C ZINC001372391120 887696723 /nfs/dbraw/zinc/69/67/23/887696723.db2.gz JGZWBEGVRMPEMB-UHFFFAOYSA-N 1 2 293.335 -1.410 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)CCc1cn[nH]n1 ZINC001372556730 887701278 /nfs/dbraw/zinc/70/12/78/887701278.db2.gz UMDMKVFAHZWMMZ-SNVBAGLBSA-N 1 2 280.332 -1.197 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)CCc1cn[nH]n1 ZINC001372556730 887701285 /nfs/dbraw/zinc/70/12/85/887701285.db2.gz UMDMKVFAHZWMMZ-SNVBAGLBSA-N 1 2 280.332 -1.197 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)CCc1c[nH]nn1 ZINC001372556730 887701296 /nfs/dbraw/zinc/70/12/96/887701296.db2.gz UMDMKVFAHZWMMZ-SNVBAGLBSA-N 1 2 280.332 -1.197 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)CCc1c[nH]nn1 ZINC001372556730 887701303 /nfs/dbraw/zinc/70/13/03/887701303.db2.gz UMDMKVFAHZWMMZ-SNVBAGLBSA-N 1 2 280.332 -1.197 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](CNC(=O)CCc2cnn[nH]2)C1 ZINC001372658672 887702015 /nfs/dbraw/zinc/70/20/15/887702015.db2.gz HVAIXGFRGXKMCI-VIFPVBQESA-N 1 2 280.332 -1.339 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](CNC(=O)CCc2cnn[nH]2)C1 ZINC001372658672 887702022 /nfs/dbraw/zinc/70/20/22/887702022.db2.gz HVAIXGFRGXKMCI-VIFPVBQESA-N 1 2 280.332 -1.339 20 0 CAADLO CC(=O)NCC[N@H+](CC(=O)N1CCNC(=O)C1)C1CC1 ZINC001372754886 887704156 /nfs/dbraw/zinc/70/41/56/887704156.db2.gz YLJASCZKRWFNMR-UHFFFAOYSA-N 1 2 282.344 -1.455 20 0 CAADLO CC(=O)NCC[N@@H+](CC(=O)N1CCNC(=O)C1)C1CC1 ZINC001372754886 887704165 /nfs/dbraw/zinc/70/41/65/887704165.db2.gz YLJASCZKRWFNMR-UHFFFAOYSA-N 1 2 282.344 -1.455 20 0 CAADLO C[C@H](CNC(=O)[C@H]1CCC(=O)N1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001372810981 887711930 /nfs/dbraw/zinc/71/19/30/887711930.db2.gz JADZJWCXPSXZAO-RKDXNWHRSA-N 1 2 293.327 -1.148 20 0 CAADLO C[C@H](CNC(=O)[C@@H]1CCC(=O)N1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001373003653 887720435 /nfs/dbraw/zinc/72/04/35/887720435.db2.gz JADZJWCXPSXZAO-BDAKNGLRSA-N 1 2 293.327 -1.148 20 0 CAADLO C[C@@H](CNC(=O)Cn1cc[nH+]c1)NC(=O)[C@@H]1COCCO1 ZINC001372962151 887721599 /nfs/dbraw/zinc/72/15/99/887721599.db2.gz ZRJQWANDASKHDC-QWRGUYRKSA-N 1 2 296.327 -1.081 20 0 CAADLO C[C@H](CNC(=O)c1cn[nH]n1)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001372959216 887721636 /nfs/dbraw/zinc/72/16/36/887721636.db2.gz NHRGSEVQTKTCTD-SCZZXKLOSA-N 1 2 296.331 -1.630 20 0 CAADLO C[C@H](CNC(=O)c1cn[nH]n1)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001372959216 887721646 /nfs/dbraw/zinc/72/16/46/887721646.db2.gz NHRGSEVQTKTCTD-SCZZXKLOSA-N 1 2 296.331 -1.630 20 0 CAADLO C[C@@H](CNC(=O)Cn1cc[nH+]c1)NC(=O)[C@H]1COCCO1 ZINC001372962154 887721904 /nfs/dbraw/zinc/72/19/04/887721904.db2.gz ZRJQWANDASKHDC-WDEREUQCSA-N 1 2 296.327 -1.081 20 0 CAADLO CC(=O)NCC(=O)N[C@@H](C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001373059876 887723625 /nfs/dbraw/zinc/72/36/25/887723625.db2.gz QIWUYAMCCATRNW-QMMMGPOBSA-N 1 2 281.316 -1.291 20 0 CAADLO C[N@@H+](CC(N)=O)C[C@H]1CCN(C(=O)CS(C)(=O)=O)C1 ZINC001373279171 887730189 /nfs/dbraw/zinc/73/01/89/887730189.db2.gz NLXSVAGIYHTBFK-SECBINFHSA-N 1 2 291.373 -1.703 20 0 CAADLO C[N@H+](CC(N)=O)C[C@H]1CCN(C(=O)CS(C)(=O)=O)C1 ZINC001373279171 887730200 /nfs/dbraw/zinc/73/02/00/887730200.db2.gz NLXSVAGIYHTBFK-SECBINFHSA-N 1 2 291.373 -1.703 20 0 CAADLO CO[C@@H](C)C(=O)N[C@@H]1CCC[N@H+](CC(=O)NC(N)=O)C1 ZINC001373364497 887731826 /nfs/dbraw/zinc/73/18/26/887731826.db2.gz HWNANKCODWQLJZ-DTWKUNHWSA-N 1 2 286.332 -1.203 20 0 CAADLO CO[C@@H](C)C(=O)N[C@@H]1CCC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001373364497 887731840 /nfs/dbraw/zinc/73/18/40/887731840.db2.gz HWNANKCODWQLJZ-DTWKUNHWSA-N 1 2 286.332 -1.203 20 0 CAADLO C[C@@H](CC(N)=O)C(=O)N[C@@H]1CCC[N@H+](CC(N)=O)C1 ZINC001373377547 887735181 /nfs/dbraw/zinc/73/51/81/887735181.db2.gz UQJXBIUJEGROOZ-DTWKUNHWSA-N 1 2 270.333 -1.436 20 0 CAADLO C[C@@H](CC(N)=O)C(=O)N[C@@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001373377547 887735197 /nfs/dbraw/zinc/73/51/97/887735197.db2.gz UQJXBIUJEGROOZ-DTWKUNHWSA-N 1 2 270.333 -1.436 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@H](NC(=O)CCn2cnnn2)C1 ZINC001373401399 887735327 /nfs/dbraw/zinc/73/53/27/887735327.db2.gz QWKMWHZZRQHRAE-VIFPVBQESA-N 1 2 281.320 -1.871 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@H](NC(=O)CCn2cnnn2)C1 ZINC001373401399 887735338 /nfs/dbraw/zinc/73/53/38/887735338.db2.gz QWKMWHZZRQHRAE-VIFPVBQESA-N 1 2 281.320 -1.871 20 0 CAADLO CC(=O)N(C)CC(=O)N[C@H]1CCC[N@H+](CC(N)=O)C1 ZINC001373389745 887736553 /nfs/dbraw/zinc/73/65/53/887736553.db2.gz XJJDBZTZXYRDPO-JTQLQIEISA-N 1 2 270.333 -1.469 20 0 CAADLO CC(=O)N(C)CC(=O)N[C@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001373389745 887736564 /nfs/dbraw/zinc/73/65/64/887736564.db2.gz XJJDBZTZXYRDPO-JTQLQIEISA-N 1 2 270.333 -1.469 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(NC(=O)[C@@]2(C)CCC(=O)NC2)C1 ZINC001373447298 887739213 /nfs/dbraw/zinc/73/92/13/887739213.db2.gz KPFFVOVYXGFVJG-FZMZJTMJSA-N 1 2 299.371 -1.290 20 0 CAADLO COC[C@H](O)CN1CC(NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001373423090 887739576 /nfs/dbraw/zinc/73/95/76/887739576.db2.gz QVYIYPGAQBATSC-NEPJUHHUSA-N 1 2 287.360 -1.875 20 0 CAADLO COC[C@H](O)CN1CC(NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001373423090 887739591 /nfs/dbraw/zinc/73/95/91/887739591.db2.gz QVYIYPGAQBATSC-NEPJUHHUSA-N 1 2 287.360 -1.875 20 0 CAADLO O=C(CCn1cc[nH+]c1)NC1CN([C@H]2CCNC2=O)C1 ZINC001373442785 887739864 /nfs/dbraw/zinc/73/98/64/887739864.db2.gz BIRZHPUWFWOHCX-NSHDSACASA-N 1 2 277.328 -1.038 20 0 CAADLO C[C@@H](O)C[NH+]1CC(NC(=O)CCNS(C)(=O)=O)C1 ZINC001373433308 887740172 /nfs/dbraw/zinc/74/01/72/887740172.db2.gz UKYRBRXUWBIJGK-MRVPVSSYSA-N 1 2 279.362 -1.893 20 0 CAADLO COC[C@H](O)C[NH+]1CC(NC(=O)[C@]23C[C@H]2COC3)C1 ZINC001373429022 887740344 /nfs/dbraw/zinc/74/03/44/887740344.db2.gz VBGFAFKBGCKRAO-NDMJEZRESA-N 1 2 270.329 -1.169 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(NC(=O)[C@H](C)NC(N)=O)C1 ZINC001373423848 887740388 /nfs/dbraw/zinc/74/03/88/887740388.db2.gz SMTRDHRGMHVTTG-CBAPKCEASA-N 1 2 274.321 -2.149 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(NC(=O)c2c[nH]c(=O)n2C)C1 ZINC001373451460 887742029 /nfs/dbraw/zinc/74/20/29/887742029.db2.gz URYDVLRKDJJJCT-VIFPVBQESA-N 1 2 284.316 -1.453 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(NC(=O)[C@H](C)CC(N)=O)C1 ZINC001373447676 887742427 /nfs/dbraw/zinc/74/24/27/887742427.db2.gz BNEJFRWIDHZKSH-SCZZXKLOSA-N 1 2 273.333 -1.694 20 0 CAADLO O=C(CCn1cnnn1)NC1C[NH+](CCn2cccn2)C1 ZINC001373469099 887742744 /nfs/dbraw/zinc/74/27/44/887742744.db2.gz SOZYEWAQZBEABT-UHFFFAOYSA-N 1 2 290.331 -1.240 20 0 CAADLO CC[C@H](NC(C)=O)C(=O)NC1C[NH+](C[C@@H](O)COC)C1 ZINC001373457881 887743558 /nfs/dbraw/zinc/74/35/58/887743558.db2.gz UKINFNLDTRWQMF-NEPJUHHUSA-N 1 2 287.360 -1.291 20 0 CAADLO Cn1cncc1C(=O)NCC1C[NH+](CC(=O)NC(N)=O)C1 ZINC001373518159 887745329 /nfs/dbraw/zinc/74/53/29/887745329.db2.gz DRRNCQQKHRSUFY-UHFFFAOYSA-N 1 2 294.315 -1.723 20 0 CAADLO CC(C)NC(=O)C[NH+]1CC(CNC(=O)[C@@H]2COCCO2)C1 ZINC001373497244 887745401 /nfs/dbraw/zinc/74/54/01/887745401.db2.gz KWYJTKFEMUEZLV-LBPRGKRZSA-N 1 2 299.371 -1.026 20 0 CAADLO CN(CC(=O)NCC1C[NH+](CC(N)=O)C1)S(C)(=O)=O ZINC001373508718 887745566 /nfs/dbraw/zinc/74/55/66/887745566.db2.gz FSMJNFUJAVUKRW-UHFFFAOYSA-N 1 2 292.361 -2.589 20 0 CAADLO CNC(=O)C[NH+]1CC(CNC(=O)CO[C@@H]2CCOC2)C1 ZINC001373509033 887746167 /nfs/dbraw/zinc/74/61/67/887746167.db2.gz VQIYIGBWPUGKJW-LLVKDONJSA-N 1 2 285.344 -1.414 20 0 CAADLO CC(=O)NCC(=O)NCC1C[NH+]([C@@H](C)C(=O)NC(N)=O)C1 ZINC001373493043 887746347 /nfs/dbraw/zinc/74/63/47/887746347.db2.gz UHMSTIYSNQZICU-ZETCQYMHSA-N 1 2 299.331 -2.246 20 0 CAADLO C[C@H](CC(=O)NCC1C[NH+]([C@@H](C)C(N)=O)C1)NC(N)=O ZINC001373508421 887746438 /nfs/dbraw/zinc/74/64/38/887746438.db2.gz OOYXJLHQEVNTQD-SFYZADRCSA-N 1 2 285.348 -1.645 20 0 CAADLO CCS(=O)(=O)NCC(=O)NCC1C[NH+](CCF)C1 ZINC001373509845 887747627 /nfs/dbraw/zinc/74/76/27/887747627.db2.gz MYAAPMPFDCSLCP-UHFFFAOYSA-N 1 2 281.353 -1.057 20 0 CAADLO CNC(=O)C[NH+]1CC(CNC(=O)CN2CCOCC2)C1 ZINC001373503332 887747826 /nfs/dbraw/zinc/74/78/26/887747826.db2.gz LKOXTHDARITPQJ-UHFFFAOYSA-N 1 2 284.360 -1.887 20 0 CAADLO CCCNC(=O)C[NH+]1CC(CNC(=O)Cn2ncnn2)C1 ZINC001373507548 887747853 /nfs/dbraw/zinc/74/78/53/887747853.db2.gz IEXZYYGIWHWGOW-UHFFFAOYSA-N 1 2 295.347 -1.753 20 0 CAADLO CC(=O)N[C@@H](C)C(=O)NCC1C[NH+](CC(=O)NC(N)=O)C1 ZINC001373497721 887747995 /nfs/dbraw/zinc/74/79/95/887747995.db2.gz QFEZXSKPEGDJAL-ZETCQYMHSA-N 1 2 299.331 -2.246 20 0 CAADLO CN(CCNC(=O)Cn1cc[nH+]c1)C(=O)Cc1nnc[nH]1 ZINC001373535263 887749173 /nfs/dbraw/zinc/74/91/73/887749173.db2.gz ZJTLJFLNCFDHMI-UHFFFAOYSA-N 1 2 291.315 -1.182 20 0 CAADLO CNC(=O)C[NH+]1CC(CNC(=O)CCCn2cncn2)C1 ZINC001373545848 887749217 /nfs/dbraw/zinc/74/92/17/887749217.db2.gz XXHAWDQTSFUQBE-UHFFFAOYSA-N 1 2 294.359 -1.148 20 0 CAADLO NC(=O)NC(=O)C[N@@H+]1CC[C@H](NC(=O)C[C@@H]2CCCO2)C1 ZINC001373588366 887750700 /nfs/dbraw/zinc/75/07/00/887750700.db2.gz RHQKKXUTGRFMPJ-UWVGGRQHSA-N 1 2 298.343 -1.059 20 0 CAADLO NC(=O)NC(=O)C[N@H+]1CC[C@H](NC(=O)C[C@@H]2CCCO2)C1 ZINC001373588366 887750712 /nfs/dbraw/zinc/75/07/12/887750712.db2.gz RHQKKXUTGRFMPJ-UWVGGRQHSA-N 1 2 298.343 -1.059 20 0 CAADLO CNC(=O)C[NH+]1CC(CNC(=O)[C@]2(C)CCC(=O)NC2)C1 ZINC001373531698 887750824 /nfs/dbraw/zinc/75/08/24/887750824.db2.gz RSKTVOJPRGJLCM-CQSZACIVSA-N 1 2 296.371 -1.303 20 0 CAADLO C[C@H]1C[C@@H](C(=O)NCC2C[NH+](CC(=O)NC(N)=O)C2)CO1 ZINC001373519143 887751190 /nfs/dbraw/zinc/75/11/90/887751190.db2.gz LBYVWYYRYZEEGX-WCBMZHEXSA-N 1 2 298.343 -1.346 20 0 CAADLO COCCC(=O)N[C@H]1CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001373580290 887751571 /nfs/dbraw/zinc/75/15/71/887751571.db2.gz ARPLSGOOJFSXPE-QMMMGPOBSA-N 1 2 272.305 -1.592 20 0 CAADLO COCCC(=O)N[C@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001373580290 887751587 /nfs/dbraw/zinc/75/15/87/887751587.db2.gz ARPLSGOOJFSXPE-QMMMGPOBSA-N 1 2 272.305 -1.592 20 0 CAADLO CNC(=O)C[NH+]1CC(CNC(=O)[C@@]2(C)CCC(=O)NC2)C1 ZINC001373531695 887751835 /nfs/dbraw/zinc/75/18/35/887751835.db2.gz RSKTVOJPRGJLCM-AWEZNQCLSA-N 1 2 296.371 -1.303 20 0 CAADLO CCNC(=O)C[NH+]1CC(CNC(=O)c2nnn(C)n2)C1 ZINC001373530019 887752049 /nfs/dbraw/zinc/75/20/49/887752049.db2.gz KCFFJMPORNQJKF-UHFFFAOYSA-N 1 2 281.320 -1.992 20 0 CAADLO CCCNC(=O)CCC(=O)NCC1C[NH+](CC(N)=O)C1 ZINC001373549889 887752525 /nfs/dbraw/zinc/75/25/25/887752525.db2.gz LTVCTRDUGUCFAU-UHFFFAOYSA-N 1 2 284.360 -1.174 20 0 CAADLO CCNC(=O)CCC(=O)N[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001373586199 887752586 /nfs/dbraw/zinc/75/25/86/887752586.db2.gz XGMGGTFQIQDDEK-VIFPVBQESA-N 1 2 270.333 -1.422 20 0 CAADLO CCNC(=O)CCC(=O)N[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001373586199 887752596 /nfs/dbraw/zinc/75/25/96/887752596.db2.gz XGMGGTFQIQDDEK-VIFPVBQESA-N 1 2 270.333 -1.422 20 0 CAADLO Cn1cc(CCC(=O)NCC2C[NH+](CC(N)=O)C2)cn1 ZINC001373562522 887752634 /nfs/dbraw/zinc/75/26/34/887752634.db2.gz YHHBTYBILCBVEQ-UHFFFAOYSA-N 1 2 279.344 -1.114 20 0 CAADLO Cc1nn(CC(=O)NCC2C[NH+](CC(N)=O)C2)c(=O)n1C ZINC001373553478 887753335 /nfs/dbraw/zinc/75/33/35/887753335.db2.gz RWIJHUAKSLNMHR-UHFFFAOYSA-N 1 2 296.331 -2.576 20 0 CAADLO CN(CCNC(=O)c1nnn(C)n1)C(=O)Cc1c[nH+]c[nH]1 ZINC001373616897 887755020 /nfs/dbraw/zinc/75/50/20/887755020.db2.gz YZOKFKATLVSGIF-UHFFFAOYSA-N 1 2 292.303 -1.636 20 0 CAADLO COC1CC(C(=O)N[C@H]2CC[N@H+](CC(=O)NC(N)=O)C2)C1 ZINC001373593685 887755562 /nfs/dbraw/zinc/75/55/62/887755562.db2.gz DNEDALGJRATKBJ-KYHHOPLUSA-N 1 2 298.343 -1.203 20 0 CAADLO COC1CC(C(=O)N[C@H]2CC[N@@H+](CC(=O)NC(N)=O)C2)C1 ZINC001373593685 887755578 /nfs/dbraw/zinc/75/55/78/887755578.db2.gz DNEDALGJRATKBJ-KYHHOPLUSA-N 1 2 298.343 -1.203 20 0 CAADLO CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2COC(=O)N2)C1 ZINC001373626535 887756675 /nfs/dbraw/zinc/75/66/75/887756675.db2.gz VXXPOKDSCGBDMU-RKDXNWHRSA-N 1 2 284.316 -1.579 20 0 CAADLO CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@H]2COC(=O)N2)C1 ZINC001373626535 887756690 /nfs/dbraw/zinc/75/66/90/887756690.db2.gz VXXPOKDSCGBDMU-RKDXNWHRSA-N 1 2 284.316 -1.579 20 0 CAADLO NC(=O)NC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCO2)C1 ZINC001373621145 887757139 /nfs/dbraw/zinc/75/71/39/887757139.db2.gz XMSPWVIWPRILOJ-BDAKNGLRSA-N 1 2 284.316 -1.449 20 0 CAADLO NC(=O)NC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCO2)C1 ZINC001373621145 887757126 /nfs/dbraw/zinc/75/71/26/887757126.db2.gz XMSPWVIWPRILOJ-BDAKNGLRSA-N 1 2 284.316 -1.449 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@@H](C)NC(C)=O)C1 ZINC001373621303 887757485 /nfs/dbraw/zinc/75/74/85/887757485.db2.gz ZQMONSCAMPKHBF-PSASIEDQSA-N 1 2 270.333 -1.553 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@@H](C)NC(C)=O)C1 ZINC001373621303 887757499 /nfs/dbraw/zinc/75/74/99/887757499.db2.gz ZQMONSCAMPKHBF-PSASIEDQSA-N 1 2 270.333 -1.553 20 0 CAADLO NC(=O)NC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001373613932 887757923 /nfs/dbraw/zinc/75/79/23/887757923.db2.gz UMRNIEAWIKJTPZ-YUMQZZPRSA-N 1 2 297.315 -2.350 20 0 CAADLO NC(=O)NC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001373613932 887757933 /nfs/dbraw/zinc/75/79/33/887757933.db2.gz UMRNIEAWIKJTPZ-YUMQZZPRSA-N 1 2 297.315 -2.350 20 0 CAADLO CN(CCNC(=O)Cc1[nH]cc[nH+]1)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001373632532 887758630 /nfs/dbraw/zinc/75/86/30/887758630.db2.gz CTQZVHMQWPNDSB-BDAKNGLRSA-N 1 2 293.327 -1.352 20 0 CAADLO CN(CCNC(=O)Cc1[nH]cc[nH+]1)C(=O)[C@@H]1COCCO1 ZINC001373635213 887759523 /nfs/dbraw/zinc/75/95/23/887759523.db2.gz RNLJQRSHCUKHDA-JTQLQIEISA-N 1 2 296.327 -1.058 20 0 CAADLO C[C@@H](CC(N)=O)C(=O)N(C)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001373678839 887761187 /nfs/dbraw/zinc/76/11/87/887761187.db2.gz RIMHCYPAQYWDCB-DTWKUNHWSA-N 1 2 270.333 -1.484 20 0 CAADLO C[C@@H](CC(N)=O)C(=O)N(C)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001373678839 887761194 /nfs/dbraw/zinc/76/11/94/887761194.db2.gz RIMHCYPAQYWDCB-DTWKUNHWSA-N 1 2 270.333 -1.484 20 0 CAADLO Cn1nncc1C[N@@H+]1CC[C@@H](NC(=O)CCNC(N)=O)C1 ZINC001373649242 887761672 /nfs/dbraw/zinc/76/16/72/887761672.db2.gz DEAWGENGMBAQHH-SECBINFHSA-N 1 2 295.347 -1.436 20 0 CAADLO Cn1nncc1C[N@H+]1CC[C@@H](NC(=O)CCNC(N)=O)C1 ZINC001373649242 887761683 /nfs/dbraw/zinc/76/16/83/887761683.db2.gz DEAWGENGMBAQHH-SECBINFHSA-N 1 2 295.347 -1.436 20 0 CAADLO CN(C(=O)CO[C@H]1CCOC1)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001373663297 887761959 /nfs/dbraw/zinc/76/19/59/887761959.db2.gz GPZNVZUZHYVPIL-MNOVXSKESA-N 1 2 285.344 -1.190 20 0 CAADLO CN(C(=O)CO[C@H]1CCOC1)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001373663297 887761970 /nfs/dbraw/zinc/76/19/70/887761970.db2.gz GPZNVZUZHYVPIL-MNOVXSKESA-N 1 2 285.344 -1.190 20 0 CAADLO NC(=O)NC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001373639104 887762299 /nfs/dbraw/zinc/76/22/99/887762299.db2.gz XXEQVKXOYFMCTA-REIXXSIJSA-N 1 2 296.327 -1.736 20 0 CAADLO NC(=O)NC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001373639104 887762305 /nfs/dbraw/zinc/76/23/05/887762305.db2.gz XXEQVKXOYFMCTA-REIXXSIJSA-N 1 2 296.327 -1.736 20 0 CAADLO NC(=O)NC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cn2cncn2)C1 ZINC001373649046 887762688 /nfs/dbraw/zinc/76/26/88/887762688.db2.gz ALNMEOAAUUKTDQ-MRVPVSSYSA-N 1 2 295.303 -2.337 20 0 CAADLO NC(=O)NC(=O)C[N@H+]1CC[C@@H](NC(=O)Cn2cncn2)C1 ZINC001373649046 887762695 /nfs/dbraw/zinc/76/26/95/887762695.db2.gz ALNMEOAAUUKTDQ-MRVPVSSYSA-N 1 2 295.303 -2.337 20 0 CAADLO CN(C(=O)c1cc[nH]n1)[C@@H]1CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001373657701 887763255 /nfs/dbraw/zinc/76/32/55/887763255.db2.gz QHBDDOAOWNJFIM-MRVPVSSYSA-N 1 2 294.315 -1.249 20 0 CAADLO CN(C(=O)c1cc[nH]n1)[C@@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001373657701 887763276 /nfs/dbraw/zinc/76/32/76/887763276.db2.gz QHBDDOAOWNJFIM-MRVPVSSYSA-N 1 2 294.315 -1.249 20 0 CAADLO CN(C(=O)c1ccn[nH]1)[C@@H]1CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001373657701 887763291 /nfs/dbraw/zinc/76/32/91/887763291.db2.gz QHBDDOAOWNJFIM-MRVPVSSYSA-N 1 2 294.315 -1.249 20 0 CAADLO CN(C(=O)c1ccn[nH]1)[C@@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001373657701 887763311 /nfs/dbraw/zinc/76/33/11/887763311.db2.gz QHBDDOAOWNJFIM-MRVPVSSYSA-N 1 2 294.315 -1.249 20 0 CAADLO CN(C)C(=O)CCCC(=O)N[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001373646360 887763911 /nfs/dbraw/zinc/76/39/11/887763911.db2.gz RLEWLJCKAPNPGP-SNVBAGLBSA-N 1 2 284.360 -1.079 20 0 CAADLO CN(C)C(=O)CCCC(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001373646360 887763926 /nfs/dbraw/zinc/76/39/26/887763926.db2.gz RLEWLJCKAPNPGP-SNVBAGLBSA-N 1 2 284.360 -1.079 20 0 CAADLO CCC[C@@H](NC(N)=O)C(=O)N(C)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001373691762 887766212 /nfs/dbraw/zinc/76/62/12/887766212.db2.gz WOLRUHPWFYFMNJ-VHSXEESVSA-N 1 2 299.375 -1.159 20 0 CAADLO CCC[C@@H](NC(N)=O)C(=O)N(C)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001373691762 887766217 /nfs/dbraw/zinc/76/62/17/887766217.db2.gz WOLRUHPWFYFMNJ-VHSXEESVSA-N 1 2 299.375 -1.159 20 0 CAADLO CC[C@H](CNC(=O)c1cnnn1C)[NH2+]Cc1nnn(C)n1 ZINC001373751248 887767136 /nfs/dbraw/zinc/76/71/36/887767136.db2.gz ULENZUIVXXEQKF-MRVPVSSYSA-N 1 2 293.335 -1.363 20 0 CAADLO CC[C@@H](CNC(=O)CCNC(N)=O)[NH2+]Cc1nnn(C)n1 ZINC001373824116 887769544 /nfs/dbraw/zinc/76/95/44/887769544.db2.gz CKXJWKHPEBWUKB-QMMMGPOBSA-N 1 2 298.351 -1.747 20 0 CAADLO COC[C@H](O)C[N@@H+]1CCO[C@@H](CNC(=O)c2ncc[nH]2)C1 ZINC001374127430 887775879 /nfs/dbraw/zinc/77/58/79/887775879.db2.gz YZXFFPYBLPZYDX-MNOVXSKESA-N 1 2 298.343 -1.152 20 0 CAADLO COC[C@H](O)C[N@H+]1CCO[C@@H](CNC(=O)c2ncc[nH]2)C1 ZINC001374127430 887775891 /nfs/dbraw/zinc/77/58/91/887775891.db2.gz YZXFFPYBLPZYDX-MNOVXSKESA-N 1 2 298.343 -1.152 20 0 CAADLO O=C(CCc1nnc[nH]1)NC[C@H]1C[N@H+](CCO)CCO1 ZINC001374121601 887776353 /nfs/dbraw/zinc/77/63/53/887776353.db2.gz GSDQIQFLGFZOQR-JTQLQIEISA-N 1 2 283.332 -1.453 20 0 CAADLO O=C(CCc1nnc[nH]1)NC[C@H]1C[N@@H+](CCO)CCO1 ZINC001374121601 887776367 /nfs/dbraw/zinc/77/63/67/887776367.db2.gz GSDQIQFLGFZOQR-JTQLQIEISA-N 1 2 283.332 -1.453 20 0 CAADLO COC[C@H](O)C[N@@H+]1CCO[C@@H](CNC(=O)c2cn[nH]n2)C1 ZINC001374132181 887776704 /nfs/dbraw/zinc/77/67/04/887776704.db2.gz PSHJOMHAYZJHCQ-ZJUUUORDSA-N 1 2 299.331 -1.757 20 0 CAADLO COC[C@H](O)C[N@H+]1CCO[C@@H](CNC(=O)c2cn[nH]n2)C1 ZINC001374132181 887776716 /nfs/dbraw/zinc/77/67/16/887776716.db2.gz PSHJOMHAYZJHCQ-ZJUUUORDSA-N 1 2 299.331 -1.757 20 0 CAADLO COC[C@@H](O)C[N@@H+]1CCO[C@H](CNC(=O)c2cn[nH]n2)C1 ZINC001374132179 887778748 /nfs/dbraw/zinc/77/87/48/887778748.db2.gz PSHJOMHAYZJHCQ-VHSXEESVSA-N 1 2 299.331 -1.757 20 0 CAADLO COC[C@@H](O)C[N@H+]1CCO[C@H](CNC(=O)c2cn[nH]n2)C1 ZINC001374132179 887778762 /nfs/dbraw/zinc/77/87/62/887778762.db2.gz PSHJOMHAYZJHCQ-VHSXEESVSA-N 1 2 299.331 -1.757 20 0 CAADLO C[C@@H](C[NH2+]Cc1nc(=O)n(C)[nH]1)N(C)C(=O)c1nc[nH]n1 ZINC001374297913 887781663 /nfs/dbraw/zinc/78/16/63/887781663.db2.gz CGXXVJFPVUDPGQ-ZETCQYMHSA-N 1 2 294.319 -1.523 20 0 CAADLO C[C@H](C[NH2+]Cc1nc(=O)n(C)[nH]1)N(C)C(=O)c1nc[nH]n1 ZINC001374297911 887782439 /nfs/dbraw/zinc/78/24/39/887782439.db2.gz CGXXVJFPVUDPGQ-SSDOTTSWSA-N 1 2 294.319 -1.523 20 0 CAADLO CNC(=O)C[N@H+](C)CCN(C)C(=O)CNC(=O)C1CC1 ZINC001374466696 887785077 /nfs/dbraw/zinc/78/50/77/887785077.db2.gz FQKTVKSMKISHRZ-UHFFFAOYSA-N 1 2 284.360 -1.351 20 0 CAADLO CNC(=O)C[N@@H+](C)CCN(C)C(=O)CNC(=O)C1CC1 ZINC001374466696 887785093 /nfs/dbraw/zinc/78/50/93/887785093.db2.gz FQKTVKSMKISHRZ-UHFFFAOYSA-N 1 2 284.360 -1.351 20 0 CAADLO CC(=O)N(C)CC[NH+]1CCN(C(=O)[C@@H]2CNC(=O)N2)CC1 ZINC001374435185 887785414 /nfs/dbraw/zinc/78/54/14/887785414.db2.gz HHUDTRIXINTWPT-NSHDSACASA-N 1 2 297.359 -1.710 20 0 CAADLO CC(=O)NCC(=O)N(C)CC[NH+]1CCN(C(C)=O)CC1 ZINC001374436725 887785525 /nfs/dbraw/zinc/78/55/25/887785525.db2.gz FGYLTERAODMQKN-UHFFFAOYSA-N 1 2 284.360 -1.255 20 0 CAADLO CN(CC[N@H+](C)CC(N)=O)C(=O)CNC(=O)C1CC1 ZINC001374469134 887785920 /nfs/dbraw/zinc/78/59/20/887785920.db2.gz RKOYDRFIAGRXOL-UHFFFAOYSA-N 1 2 270.333 -1.612 20 0 CAADLO CN(CC[N@@H+](C)CC(N)=O)C(=O)CNC(=O)C1CC1 ZINC001374469134 887785934 /nfs/dbraw/zinc/78/59/34/887785934.db2.gz RKOYDRFIAGRXOL-UHFFFAOYSA-N 1 2 270.333 -1.612 20 0 CAADLO CC(=O)N1CC[NH+](CCN(C)C(=O)Cn2cnnn2)CC1 ZINC001374485048 887786252 /nfs/dbraw/zinc/78/62/52/887786252.db2.gz OJLLSLLFVHGJFC-UHFFFAOYSA-N 1 2 295.347 -1.704 20 0 CAADLO CN(CC[N@H+](C)Cc1cnnn1C)C(=O)[C@H]1COC(=O)N1 ZINC001374484517 887787581 /nfs/dbraw/zinc/78/75/81/887787581.db2.gz OTMPBDSLOJXSAM-SNVBAGLBSA-N 1 2 296.331 -1.186 20 0 CAADLO CN(CC[N@@H+](C)Cc1cnnn1C)C(=O)[C@H]1COC(=O)N1 ZINC001374484517 887787594 /nfs/dbraw/zinc/78/75/94/887787594.db2.gz OTMPBDSLOJXSAM-SNVBAGLBSA-N 1 2 296.331 -1.186 20 0 CAADLO CNC(=O)C[N@H+](C)CCN(C)C(=O)CCn1cncn1 ZINC001374464202 887788115 /nfs/dbraw/zinc/78/81/15/887788115.db2.gz LWANCGFHFURCQU-UHFFFAOYSA-N 1 2 282.348 -1.196 20 0 CAADLO CNC(=O)C[N@@H+](C)CCN(C)C(=O)CCn1cncn1 ZINC001374464202 887788128 /nfs/dbraw/zinc/78/81/28/887788128.db2.gz LWANCGFHFURCQU-UHFFFAOYSA-N 1 2 282.348 -1.196 20 0 CAADLO COc1ncc(C(=O)N(C)CC[N@H+](C)CC(N)=O)cn1 ZINC001374548187 887790007 /nfs/dbraw/zinc/79/00/07/887790007.db2.gz PZPPRCIVUXYBCQ-UHFFFAOYSA-N 1 2 281.316 -1.026 20 0 CAADLO COc1ncc(C(=O)N(C)CC[N@@H+](C)CC(N)=O)cn1 ZINC001374548187 887790027 /nfs/dbraw/zinc/79/00/27/887790027.db2.gz PZPPRCIVUXYBCQ-UHFFFAOYSA-N 1 2 281.316 -1.026 20 0 CAADLO CCNC(=O)C[N@H+](C)CCN(C)C(=O)c1cn(C)nn1 ZINC001374488012 887790112 /nfs/dbraw/zinc/79/01/12/887790112.db2.gz WJCGSVFDNNISAE-UHFFFAOYSA-N 1 2 282.348 -1.045 20 0 CAADLO CCNC(=O)C[N@@H+](C)CCN(C)C(=O)c1cn(C)nn1 ZINC001374488012 887790120 /nfs/dbraw/zinc/79/01/20/887790120.db2.gz WJCGSVFDNNISAE-UHFFFAOYSA-N 1 2 282.348 -1.045 20 0 CAADLO CCCNC(=O)C[N@H+](C)CCN(C)C(=O)c1nnn(C)n1 ZINC001374525966 887790892 /nfs/dbraw/zinc/79/08/92/887790892.db2.gz VATQIMFRLCABEO-UHFFFAOYSA-N 1 2 297.363 -1.260 20 0 CAADLO CCCNC(=O)C[N@@H+](C)CCN(C)C(=O)c1nnn(C)n1 ZINC001374525966 887790903 /nfs/dbraw/zinc/79/09/03/887790903.db2.gz VATQIMFRLCABEO-UHFFFAOYSA-N 1 2 297.363 -1.260 20 0 CAADLO CCc1nnc(C[NH2+]C[C@H](O)CNC(=O)COC)o1 ZINC001374566509 887791590 /nfs/dbraw/zinc/79/15/90/887791590.db2.gz FMKBJVNVDOUIRR-QMMMGPOBSA-N 1 2 272.305 -1.155 20 0 CAADLO CN(CC[N@H+](C)CC(N)=O)C(=O)[C@@H]1CCCN(C(N)=O)C1 ZINC001374518362 887791724 /nfs/dbraw/zinc/79/17/24/887791724.db2.gz SOFMNDXUJZCDOX-SNVBAGLBSA-N 1 2 299.375 -1.347 20 0 CAADLO CN(CC[N@@H+](C)CC(N)=O)C(=O)[C@@H]1CCCN(C(N)=O)C1 ZINC001374518362 887791743 /nfs/dbraw/zinc/79/17/43/887791743.db2.gz SOFMNDXUJZCDOX-SNVBAGLBSA-N 1 2 299.375 -1.347 20 0 CAADLO CCC(=O)NC[C@@H](O)C[NH2+]Cc1nc(CC(=O)NC)no1 ZINC001374564664 887791854 /nfs/dbraw/zinc/79/18/54/887791854.db2.gz AZMLHOBAPIDXBM-QMMMGPOBSA-N 1 2 299.331 -1.665 20 0 CAADLO CN(CC[N@H+](C)CC(N)=O)C(=O)CCn1ncn(C)c1=O ZINC001374522820 887792149 /nfs/dbraw/zinc/79/21/49/887792149.db2.gz VQXZCRJATRJTGA-UHFFFAOYSA-N 1 2 298.347 -2.153 20 0 CAADLO CN(CC[N@@H+](C)CC(N)=O)C(=O)CCn1ncn(C)c1=O ZINC001374522820 887792164 /nfs/dbraw/zinc/79/21/64/887792164.db2.gz VQXZCRJATRJTGA-UHFFFAOYSA-N 1 2 298.347 -2.153 20 0 CAADLO CNC(=O)C[N@H+](C)CCN(C)C(=O)CCNC(N)=O ZINC001374558274 887792490 /nfs/dbraw/zinc/79/24/90/887792490.db2.gz MMVQKQDLCJXVLS-UHFFFAOYSA-N 1 2 273.337 -1.819 20 0 CAADLO CNC(=O)C[N@@H+](C)CCN(C)C(=O)CCNC(N)=O ZINC001374558274 887792497 /nfs/dbraw/zinc/79/24/97/887792497.db2.gz MMVQKQDLCJXVLS-UHFFFAOYSA-N 1 2 273.337 -1.819 20 0 CAADLO CNC(=O)C[N@H+](C)CCN(C)C(=O)c1cc(C(N)=O)c[nH]1 ZINC001374547957 887793038 /nfs/dbraw/zinc/79/30/38/887793038.db2.gz YZJQZUMNOCBIMV-UHFFFAOYSA-N 1 2 295.343 -1.137 20 0 CAADLO CNC(=O)C[N@@H+](C)CCN(C)C(=O)c1cc(C(N)=O)c[nH]1 ZINC001374547957 887793047 /nfs/dbraw/zinc/79/30/47/887793047.db2.gz YZJQZUMNOCBIMV-UHFFFAOYSA-N 1 2 295.343 -1.137 20 0 CAADLO CC(=O)NCC(=O)NC[C@@H](O)C[NH2+][C@@H](C)c1nnc(C)o1 ZINC001374571937 887794791 /nfs/dbraw/zinc/79/47/91/887794791.db2.gz JKYISYSBJNHFMH-XVKPBYJWSA-N 1 2 299.331 -1.358 20 0 CAADLO CC(=O)NCC(=O)NC[C@H](O)C[NH2+][C@H](C)c1nnc(C)o1 ZINC001374571934 887796059 /nfs/dbraw/zinc/79/60/59/887796059.db2.gz JKYISYSBJNHFMH-GMSGAONNSA-N 1 2 299.331 -1.358 20 0 CAADLO CO[C@@H](C)C(=O)NC[C@H](O)C[NH2+]Cc1nnc(C)o1 ZINC001374582681 887799296 /nfs/dbraw/zinc/79/92/96/887799296.db2.gz IMEJHGJFGIKSEM-IONNQARKSA-N 1 2 272.305 -1.020 20 0 CAADLO CS(=O)(=O)CC(=O)NC[C@H](O)C[NH2+]Cc1cnon1 ZINC001374585009 887801660 /nfs/dbraw/zinc/80/16/60/887801660.db2.gz QIPICQQKJGNTFE-MRVPVSSYSA-N 1 2 292.317 -2.319 20 0 CAADLO Cn1cc(C(=O)NC[C@H](O)C[NH2+]Cc2csnn2)nn1 ZINC001374604433 887812677 /nfs/dbraw/zinc/81/26/77/887812677.db2.gz RLSCVLMQOUONQZ-MRVPVSSYSA-N 1 2 297.344 -1.453 20 0 CAADLO Cn1cc(C(=O)NC[C@H](O)C[NH2+]Cc2cnsn2)nn1 ZINC001374603872 887813367 /nfs/dbraw/zinc/81/33/67/887813367.db2.gz PXMYHXSFNDIOHR-MRVPVSSYSA-N 1 2 297.344 -1.453 20 0 CAADLO O=C(NC[C@H](O)C[NH2+]Cc1ncccn1)c1nnc[nH]1 ZINC001374660081 887826637 /nfs/dbraw/zinc/82/66/37/887826637.db2.gz PSMFFFPLBNJIHY-MRVPVSSYSA-N 1 2 277.288 -1.525 20 0 CAADLO NC(=O)C[NH2+]C[C@H](O)CNC(=O)c1cccc2nc[nH]c21 ZINC001374662153 887826777 /nfs/dbraw/zinc/82/67/77/887826777.db2.gz UHMPIRBMEDZDES-QMMMGPOBSA-N 1 2 291.311 -1.272 20 0 CAADLO Cn1cnnc1C[NH2+]C[C@@H](O)CNC(=O)Cc1nnc[nH]1 ZINC001374666524 887826924 /nfs/dbraw/zinc/82/69/24/887826924.db2.gz MSJIKAQXLIAEHX-MRVPVSSYSA-N 1 2 294.319 -2.257 20 0 CAADLO C[C@H](C[NH2+]Cc1n[nH]c(=O)[n-]1)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001374746848 887839351 /nfs/dbraw/zinc/83/93/51/887839351.db2.gz XREIVJYZUVBCBW-RKDXNWHRSA-N 1 2 298.347 -1.565 20 0 CAADLO C[C@H](C[NH2+]Cc1n[nH]c(=O)[n-]1)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001374746848 887839362 /nfs/dbraw/zinc/83/93/62/887839362.db2.gz XREIVJYZUVBCBW-RKDXNWHRSA-N 1 2 298.347 -1.565 20 0 CAADLO C[C@H](CC(N)=O)C(=O)N1CC(NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001374744957 887840385 /nfs/dbraw/zinc/84/03/85/887840385.db2.gz MXXBETANDHKHAK-MRVPVSSYSA-N 1 2 293.327 -1.209 20 0 CAADLO C[C@H](C[NH2+]Cc1nnnn1C)NC(=O)CCc1nnc[nH]1 ZINC001374741336 887840537 /nfs/dbraw/zinc/84/05/37/887840537.db2.gz KARAMPNQKVGPFJ-MRVPVSSYSA-N 1 2 293.335 -1.445 20 0 CAADLO CC(=O)N(C)CC(=O)N1CC(NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001374743885 887841754 /nfs/dbraw/zinc/84/17/54/887841754.db2.gz GQYYAGSLZAHXJA-UHFFFAOYSA-N 1 2 293.327 -1.243 20 0 CAADLO CNC(=O)NCC(=O)N1CC(NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001374744225 887841794 /nfs/dbraw/zinc/84/17/94/887841794.db2.gz HTZZQHOLULJSNO-UHFFFAOYSA-N 1 2 294.315 -1.792 20 0 CAADLO Cc1noc(C[NH2+]C[C@@H](C)NC(=O)[C@@H]2CNC(=O)N2)n1 ZINC001374808570 887845554 /nfs/dbraw/zinc/84/55/54/887845554.db2.gz NPIXZPUALLWWHR-SVRRBLITSA-N 1 2 282.304 -1.346 20 0 CAADLO C[C@@H](C[N@H+](C)Cc1cnnn1C)NC(=O)Cn1cnnn1 ZINC001374999303 887857308 /nfs/dbraw/zinc/85/73/08/887857308.db2.gz BCTREHZDAAZBBA-VIFPVBQESA-N 1 2 293.335 -1.562 20 0 CAADLO C[C@@H](C[N@@H+](C)Cc1cnnn1C)NC(=O)Cn1cnnn1 ZINC001374999303 887857313 /nfs/dbraw/zinc/85/73/13/887857313.db2.gz BCTREHZDAAZBBA-VIFPVBQESA-N 1 2 293.335 -1.562 20 0 CAADLO C[C@@H](C(=O)N(C)C)[N@@H+]1CC[C@H]1CNC(=O)Cn1ncnn1 ZINC001375312729 887867754 /nfs/dbraw/zinc/86/77/54/887867754.db2.gz JVJWOTIQIIFNDW-UWVGGRQHSA-N 1 2 295.347 -1.660 20 0 CAADLO C[C@@H](C(=O)N(C)C)[N@H+]1CC[C@H]1CNC(=O)Cn1ncnn1 ZINC001375312729 887867767 /nfs/dbraw/zinc/86/77/67/887867767.db2.gz JVJWOTIQIIFNDW-UWVGGRQHSA-N 1 2 295.347 -1.660 20 0 CAADLO C[C@H](C(=O)N(C)C)[N@@H+]1CC[C@@H]1CNC(=O)Cn1ncnn1 ZINC001375312728 887867828 /nfs/dbraw/zinc/86/78/28/887867828.db2.gz JVJWOTIQIIFNDW-NXEZZACHSA-N 1 2 295.347 -1.660 20 0 CAADLO C[C@H](C(=O)N(C)C)[N@H+]1CC[C@@H]1CNC(=O)Cn1ncnn1 ZINC001375312728 887867836 /nfs/dbraw/zinc/86/78/36/887867836.db2.gz JVJWOTIQIIFNDW-NXEZZACHSA-N 1 2 295.347 -1.660 20 0 CAADLO CC[C@@H](C(N)=O)[N@@H+]1CC[C@@H]1CNC(=O)CCNC(=O)NC ZINC001375308822 887868129 /nfs/dbraw/zinc/86/81/29/887868129.db2.gz WTYQTLAPQHETFC-ZJUUUORDSA-N 1 2 299.375 -1.240 20 0 CAADLO CC[C@@H](C(N)=O)[N@H+]1CC[C@@H]1CNC(=O)CCNC(=O)NC ZINC001375308822 887868144 /nfs/dbraw/zinc/86/81/44/887868144.db2.gz WTYQTLAPQHETFC-ZJUUUORDSA-N 1 2 299.375 -1.240 20 0 CAADLO O=C(Cn1ncnn1)NC[C@@H]1CC[N@@H+]1[C@H]1CCCNC1=O ZINC001375313506 887869147 /nfs/dbraw/zinc/86/91/47/887869147.db2.gz LOPRWXLJXPBRAB-UWVGGRQHSA-N 1 2 293.331 -1.858 20 0 CAADLO O=C(Cn1ncnn1)NC[C@@H]1CC[N@H+]1[C@H]1CCCNC1=O ZINC001375313506 887869152 /nfs/dbraw/zinc/86/91/52/887869152.db2.gz LOPRWXLJXPBRAB-UWVGGRQHSA-N 1 2 293.331 -1.858 20 0 CAADLO O=C(CNC(=O)C1CC1)NC[C@@H]1CC[N@@H+]1[C@H]1CCNC1=O ZINC001375299444 887869305 /nfs/dbraw/zinc/86/93/05/887869305.db2.gz XAGKKNCUNGRJGP-QWRGUYRKSA-N 1 2 294.355 -1.408 20 0 CAADLO O=C(CNC(=O)C1CC1)NC[C@@H]1CC[N@H+]1[C@H]1CCNC1=O ZINC001375299444 887869318 /nfs/dbraw/zinc/86/93/18/887869318.db2.gz XAGKKNCUNGRJGP-QWRGUYRKSA-N 1 2 294.355 -1.408 20 0 CAADLO O=C(Cn1ncnn1)NC[C@H]1CC[N@H+]1[C@H]1CCNC1=O ZINC001375312036 887869851 /nfs/dbraw/zinc/86/98/51/887869851.db2.gz ISNVXKAHQAXGEQ-BDAKNGLRSA-N 1 2 279.304 -2.248 20 0 CAADLO O=C(Cn1ncnn1)NC[C@H]1CC[N@@H+]1[C@H]1CCNC1=O ZINC001375312036 887869837 /nfs/dbraw/zinc/86/98/37/887869837.db2.gz ISNVXKAHQAXGEQ-BDAKNGLRSA-N 1 2 279.304 -2.248 20 0 CAADLO CNC(=O)CCCC(=O)NC[C@@H]1CC[N@H+]1[C@H](C)C(N)=O ZINC001375309113 887870250 /nfs/dbraw/zinc/87/02/50/887870250.db2.gz KJJUSDQBZOBWRK-ZJUUUORDSA-N 1 2 284.360 -1.033 20 0 CAADLO O=C(Cn1ncnn1)NC[C@@H]1CC[N@@H+]1[C@@H]1CCCNC1=O ZINC001375313507 887870169 /nfs/dbraw/zinc/87/01/69/887870169.db2.gz LOPRWXLJXPBRAB-VHSXEESVSA-N 1 2 293.331 -1.858 20 0 CAADLO O=C(Cn1ncnn1)NC[C@@H]1CC[N@H+]1[C@@H]1CCCNC1=O ZINC001375313507 887870177 /nfs/dbraw/zinc/87/01/77/887870177.db2.gz LOPRWXLJXPBRAB-VHSXEESVSA-N 1 2 293.331 -1.858 20 0 CAADLO C[C@H](C(=O)N(C)C)[N@@H+]1CC[C@H]1CNC(=O)Cn1ncnn1 ZINC001375312731 887870204 /nfs/dbraw/zinc/87/02/04/887870204.db2.gz JVJWOTIQIIFNDW-ZJUUUORDSA-N 1 2 295.347 -1.660 20 0 CAADLO C[C@H](C(=O)N(C)C)[N@H+]1CC[C@H]1CNC(=O)Cn1ncnn1 ZINC001375312731 887870216 /nfs/dbraw/zinc/87/02/16/887870216.db2.gz JVJWOTIQIIFNDW-ZJUUUORDSA-N 1 2 295.347 -1.660 20 0 CAADLO CNC(=O)CCCC(=O)NC[C@@H]1CC[N@@H+]1[C@H](C)C(N)=O ZINC001375309113 887870241 /nfs/dbraw/zinc/87/02/41/887870241.db2.gz KJJUSDQBZOBWRK-ZJUUUORDSA-N 1 2 284.360 -1.033 20 0 CAADLO COC(=O)NCC(=O)NC[C@@H]1CC[N@@H+]1CC(=O)N1CCC1 ZINC001375295914 887870679 /nfs/dbraw/zinc/87/06/79/887870679.db2.gz JYWXQMUQYJTQKK-JTQLQIEISA-N 1 2 298.343 -1.235 20 0 CAADLO COC(=O)NCC(=O)NC[C@@H]1CC[N@H+]1CC(=O)N1CCC1 ZINC001375295914 887870689 /nfs/dbraw/zinc/87/06/89/887870689.db2.gz JYWXQMUQYJTQKK-JTQLQIEISA-N 1 2 298.343 -1.235 20 0 CAADLO CCNC(=O)CCC(=O)NC[C@@H]1CC[N@@H+]1[C@H]1CCNC1=O ZINC001375291180 887870747 /nfs/dbraw/zinc/87/07/47/887870747.db2.gz AUHQSQALNRSPDJ-QWRGUYRKSA-N 1 2 296.371 -1.018 20 0 CAADLO CCNC(=O)CCC(=O)NC[C@@H]1CC[N@H+]1[C@H]1CCNC1=O ZINC001375291180 887870755 /nfs/dbraw/zinc/87/07/55/887870755.db2.gz AUHQSQALNRSPDJ-QWRGUYRKSA-N 1 2 296.371 -1.018 20 0 CAADLO O=C(Cn1ncnn1)NC[C@H]1CC[N@@H+]1[C@H]1CCCNC1=O ZINC001375313508 887870853 /nfs/dbraw/zinc/87/08/53/887870853.db2.gz LOPRWXLJXPBRAB-ZJUUUORDSA-N 1 2 293.331 -1.858 20 0 CAADLO O=C(Cn1ncnn1)NC[C@H]1CC[N@H+]1[C@H]1CCCNC1=O ZINC001375313508 887870862 /nfs/dbraw/zinc/87/08/62/887870862.db2.gz LOPRWXLJXPBRAB-ZJUUUORDSA-N 1 2 293.331 -1.858 20 0 CAADLO O=C(CNC(=O)C1CC1)NC[C@H]1CC[N@@H+]1[C@@H]1CCNC1=O ZINC001375299442 887871214 /nfs/dbraw/zinc/87/12/14/887871214.db2.gz XAGKKNCUNGRJGP-GHMZBOCLSA-N 1 2 294.355 -1.408 20 0 CAADLO O=C(CNC(=O)C1CC1)NC[C@H]1CC[N@H+]1[C@@H]1CCNC1=O ZINC001375299442 887871230 /nfs/dbraw/zinc/87/12/30/887871230.db2.gz XAGKKNCUNGRJGP-GHMZBOCLSA-N 1 2 294.355 -1.408 20 0 CAADLO CC[C@H](C(N)=O)[N@@H+]1CC[C@H]1CNC(=O)Cc1nc[nH]n1 ZINC001375360228 887873141 /nfs/dbraw/zinc/87/31/41/887873141.db2.gz YUPWWGXNQSYINB-DTWKUNHWSA-N 1 2 280.332 -1.198 20 0 CAADLO CC[C@H](C(N)=O)[N@H+]1CC[C@H]1CNC(=O)Cc1nc[nH]n1 ZINC001375360228 887873151 /nfs/dbraw/zinc/87/31/51/887873151.db2.gz YUPWWGXNQSYINB-DTWKUNHWSA-N 1 2 280.332 -1.198 20 0 CAADLO CC[C@@H](C(N)=O)[N@@H+]1CC[C@@H]1CNC(=O)Cc1nc[nH]n1 ZINC001375360226 887873278 /nfs/dbraw/zinc/87/32/78/887873278.db2.gz YUPWWGXNQSYINB-BDAKNGLRSA-N 1 2 280.332 -1.198 20 0 CAADLO CC[C@@H](C(N)=O)[N@H+]1CC[C@@H]1CNC(=O)Cc1nc[nH]n1 ZINC001375360226 887873285 /nfs/dbraw/zinc/87/32/85/887873285.db2.gz YUPWWGXNQSYINB-BDAKNGLRSA-N 1 2 280.332 -1.198 20 0 CAADLO COC[C@H](O)C[N@@H+]1CC[C@H]1CNC(=O)Cc1nnc[nH]1 ZINC001375357871 887874268 /nfs/dbraw/zinc/87/42/68/887874268.db2.gz QBIYVQVSIHAWTD-VHSXEESVSA-N 1 2 283.332 -1.455 20 0 CAADLO COC[C@H](O)C[N@H+]1CC[C@H]1CNC(=O)Cc1nnc[nH]1 ZINC001375357871 887874284 /nfs/dbraw/zinc/87/42/84/887874284.db2.gz QBIYVQVSIHAWTD-VHSXEESVSA-N 1 2 283.332 -1.455 20 0 CAADLO C[C@@H](O)C[N@@H+]1CC[C@H]1CNC(=O)CCS(C)(=O)=O ZINC001375321449 887874994 /nfs/dbraw/zinc/87/49/94/887874994.db2.gz OHHWAQQTTAKUAP-ZJUUUORDSA-N 1 2 278.374 -1.008 20 0 CAADLO C[C@@H](O)C[N@H+]1CC[C@H]1CNC(=O)CCS(C)(=O)=O ZINC001375321449 887875004 /nfs/dbraw/zinc/87/50/04/887875004.db2.gz OHHWAQQTTAKUAP-ZJUUUORDSA-N 1 2 278.374 -1.008 20 0 CAADLO COC[C@H](O)C[N@@H+]1CC[C@@H]1CNC(=O)Cc1nnc[nH]1 ZINC001375357869 887875233 /nfs/dbraw/zinc/87/52/33/887875233.db2.gz QBIYVQVSIHAWTD-NXEZZACHSA-N 1 2 283.332 -1.455 20 0 CAADLO COC[C@H](O)C[N@H+]1CC[C@@H]1CNC(=O)Cc1nnc[nH]1 ZINC001375357869 887875247 /nfs/dbraw/zinc/87/52/47/887875247.db2.gz QBIYVQVSIHAWTD-NXEZZACHSA-N 1 2 283.332 -1.455 20 0 CAADLO C[C@H](O)C[N@@H+]1CC[C@H]1CNC(=O)CCS(C)(=O)=O ZINC001375321439 887876010 /nfs/dbraw/zinc/87/60/10/887876010.db2.gz OHHWAQQTTAKUAP-UWVGGRQHSA-N 1 2 278.374 -1.008 20 0 CAADLO C[C@H](O)C[N@H+]1CC[C@H]1CNC(=O)CCS(C)(=O)=O ZINC001375321439 887876025 /nfs/dbraw/zinc/87/60/25/887876025.db2.gz OHHWAQQTTAKUAP-UWVGGRQHSA-N 1 2 278.374 -1.008 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CC[C@H]1CN(C)C(=O)Cc1nnc[nH]1 ZINC001375477704 887879109 /nfs/dbraw/zinc/87/91/09/887879109.db2.gz UEVRHCWLYKPPES-IUCAKERBSA-N 1 2 280.332 -1.246 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CC[C@H]1CN(C)C(=O)Cc1nnc[nH]1 ZINC001375477704 887879126 /nfs/dbraw/zinc/87/91/26/887879126.db2.gz UEVRHCWLYKPPES-IUCAKERBSA-N 1 2 280.332 -1.246 20 0 CAADLO Cn1cnnc1C[NH2+]C1(CNC(=O)Cn2ncnn2)CC1 ZINC001375419080 887880100 /nfs/dbraw/zinc/88/01/00/887880100.db2.gz BEABJSJYJUKLLW-UHFFFAOYSA-N 1 2 291.319 -1.760 20 0 CAADLO COC[C@H](O)C[NH+]1CC(N(C)C(=O)[C@H]2CCC(=O)N2C)C1 ZINC001375695231 887886187 /nfs/dbraw/zinc/88/61/87/887886187.db2.gz DRJMTAGEWVZICM-VXGBXAGGSA-N 1 2 299.371 -1.243 20 0 CAADLO CNS(=O)(=O)CC(=O)N[C@H]1CC[N@H+](CC(N)=O)[C@@H]1C ZINC001375668074 887887776 /nfs/dbraw/zinc/88/77/76/887887776.db2.gz FYMZOCVCAUNROO-SFYZADRCSA-N 1 2 292.361 -2.400 20 0 CAADLO CNS(=O)(=O)CC(=O)N[C@H]1CC[N@@H+](CC(N)=O)[C@@H]1C ZINC001375668074 887887784 /nfs/dbraw/zinc/88/77/84/887887784.db2.gz FYMZOCVCAUNROO-SFYZADRCSA-N 1 2 292.361 -2.400 20 0 CAADLO CNC(=O)C[N@@H+]1CCC[C@H](NC(=O)CCCC(N)=O)C1 ZINC001376069062 887899436 /nfs/dbraw/zinc/89/94/36/887899436.db2.gz KMYGCMMIVQGFQA-JTQLQIEISA-N 1 2 284.360 -1.031 20 0 CAADLO CNC(=O)C[N@H+]1CCC[C@H](NC(=O)CCCC(N)=O)C1 ZINC001376069062 887899439 /nfs/dbraw/zinc/89/94/39/887899439.db2.gz KMYGCMMIVQGFQA-JTQLQIEISA-N 1 2 284.360 -1.031 20 0 CAADLO CNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)CCn2cncn2)C1 ZINC001376026890 887899538 /nfs/dbraw/zinc/89/95/38/887899538.db2.gz DYMJYVWGFKIFPW-LLVKDONJSA-N 1 2 294.359 -1.005 20 0 CAADLO CNC(=O)C[N@H+]1CCC[C@@H](NC(=O)CCn2cncn2)C1 ZINC001376026890 887899548 /nfs/dbraw/zinc/89/95/48/887899548.db2.gz DYMJYVWGFKIFPW-LLVKDONJSA-N 1 2 294.359 -1.005 20 0 CAADLO C[C@@H](CC(N)=O)C(=O)N[C@H]1CCC[N@H+](CC(N)=O)C1 ZINC001376062149 887900041 /nfs/dbraw/zinc/90/00/41/887900041.db2.gz UQJXBIUJEGROOZ-IUCAKERBSA-N 1 2 270.333 -1.436 20 0 CAADLO C[C@@H](CC(N)=O)C(=O)N[C@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001376062149 887900045 /nfs/dbraw/zinc/90/00/45/887900045.db2.gz UQJXBIUJEGROOZ-IUCAKERBSA-N 1 2 270.333 -1.436 20 0 CAADLO NC(=O)NC(=O)C[N@H+]1CCC[C@H](NC(=O)[C@H]2CCOC2)C1 ZINC001376030774 887900222 /nfs/dbraw/zinc/90/02/22/887900222.db2.gz LNTDGZPNKDSTAP-UWVGGRQHSA-N 1 2 298.343 -1.202 20 0 CAADLO NC(=O)NC(=O)C[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCOC2)C1 ZINC001376030774 887900214 /nfs/dbraw/zinc/90/02/14/887900214.db2.gz LNTDGZPNKDSTAP-UWVGGRQHSA-N 1 2 298.343 -1.202 20 0 CAADLO CCC(=O)NCC1(O)C[NH+](C[C@@H](O)Cn2cccn2)C1 ZINC001376111007 887901701 /nfs/dbraw/zinc/90/17/01/887901701.db2.gz JLOLTORBIVKSLT-LLVKDONJSA-N 1 2 282.344 -1.183 20 0 CAADLO COC[C@@H](O)C[N@@H+]1CC[C@@H](NC(=O)CS(C)(=O)=O)C1 ZINC001376115088 887901943 /nfs/dbraw/zinc/90/19/43/887901943.db2.gz KAZSCFRQLGEEQU-ZJUUUORDSA-N 1 2 294.373 -1.771 20 0 CAADLO COC[C@@H](O)C[N@H+]1CC[C@@H](NC(=O)CS(C)(=O)=O)C1 ZINC001376115088 887901962 /nfs/dbraw/zinc/90/19/62/887901962.db2.gz KAZSCFRQLGEEQU-ZJUUUORDSA-N 1 2 294.373 -1.771 20 0 CAADLO COC[C@H](O)C[N@@H+]1CC[C@H](NC(=O)CS(C)(=O)=O)C1 ZINC001376115084 887903384 /nfs/dbraw/zinc/90/33/84/887903384.db2.gz KAZSCFRQLGEEQU-VHSXEESVSA-N 1 2 294.373 -1.771 20 0 CAADLO COC[C@H](O)C[N@H+]1CC[C@H](NC(=O)CS(C)(=O)=O)C1 ZINC001376115084 887903390 /nfs/dbraw/zinc/90/33/90/887903390.db2.gz KAZSCFRQLGEEQU-VHSXEESVSA-N 1 2 294.373 -1.771 20 0 CAADLO C[C@@H](C(N)=O)[NH+]1CCN(CCNC(=O)c2ncc[nH]2)CC1 ZINC001376077413 887903744 /nfs/dbraw/zinc/90/37/44/887903744.db2.gz PCYYDAHPEFSLHP-JTQLQIEISA-N 1 2 294.359 -1.369 20 0 CAADLO COC[C@H](C)[NH+]1CC(O)(CNC(=O)Cn2cnnn2)C1 ZINC001376128495 887906104 /nfs/dbraw/zinc/90/61/04/887906104.db2.gz JNVFXXHDXVCQNY-VIFPVBQESA-N 1 2 284.320 -2.129 20 0 CAADLO O=C(CCn1cncn1)NCC1(O)C[NH+](CCCO)C1 ZINC001376130542 887906155 /nfs/dbraw/zinc/90/61/55/887906155.db2.gz LQRLJOPQNNGTFX-UHFFFAOYSA-N 1 2 283.332 -1.787 20 0 CAADLO CC(=O)N[C@H](C)C(=O)N[C@@H]1CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001376123403 887906234 /nfs/dbraw/zinc/90/62/34/887906234.db2.gz PISTXKHXNWMHCP-VXNVDRBHSA-N 1 2 299.331 -2.104 20 0 CAADLO CC(=O)N[C@H](C)C(=O)N[C@@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001376123403 887906235 /nfs/dbraw/zinc/90/62/35/887906235.db2.gz PISTXKHXNWMHCP-VXNVDRBHSA-N 1 2 299.331 -2.104 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(O)(CNC(=O)c2cc(C)n[nH]2)C1 ZINC001376130581 887906242 /nfs/dbraw/zinc/90/62/42/887906242.db2.gz JNCCXEDWCWXSBD-JTQLQIEISA-N 1 2 298.343 -1.498 20 0 CAADLO CCCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cn2ncnn2)C1 ZINC001376122631 887906259 /nfs/dbraw/zinc/90/62/59/887906259.db2.gz GQJHPXBFLAVCHA-SNVBAGLBSA-N 1 2 295.347 -1.610 20 0 CAADLO CCCNC(=O)C[N@H+]1CC[C@@H](NC(=O)Cn2ncnn2)C1 ZINC001376122631 887906260 /nfs/dbraw/zinc/90/62/60/887906260.db2.gz GQJHPXBFLAVCHA-SNVBAGLBSA-N 1 2 295.347 -1.610 20 0 CAADLO CC(C)NC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cn2cnnn2)C1 ZINC001376115789 887906264 /nfs/dbraw/zinc/90/62/64/887906264.db2.gz DNZSFMDZLGKGIO-SNVBAGLBSA-N 1 2 295.347 -1.612 20 0 CAADLO CC(C)NC(=O)C[N@H+]1CC[C@@H](NC(=O)Cn2cnnn2)C1 ZINC001376115789 887906266 /nfs/dbraw/zinc/90/62/66/887906266.db2.gz DNZSFMDZLGKGIO-SNVBAGLBSA-N 1 2 295.347 -1.612 20 0 CAADLO C[C@H](O)C[NH+]1CC(O)(CNC(=O)c2cnns2)C1 ZINC001376129706 887906315 /nfs/dbraw/zinc/90/63/15/887906315.db2.gz FOWUHIUTFUPCHR-ZETCQYMHSA-N 1 2 272.330 -1.305 20 0 CAADLO CCO[C@@H]1C[C@H]1C(=O)NCC1(O)C[NH+](CCCO)C1 ZINC001376134730 887906320 /nfs/dbraw/zinc/90/63/20/887906320.db2.gz ZBBBNSCVKVEXQV-GHMZBOCLSA-N 1 2 272.345 -1.043 20 0 CAADLO CCCNC(=O)C[N@@H+]1CC[C@H](NC(=O)Cn2ncnn2)C1 ZINC001376122629 887906461 /nfs/dbraw/zinc/90/64/61/887906461.db2.gz GQJHPXBFLAVCHA-JTQLQIEISA-N 1 2 295.347 -1.610 20 0 CAADLO CCCNC(=O)C[N@H+]1CC[C@H](NC(=O)Cn2ncnn2)C1 ZINC001376122629 887906466 /nfs/dbraw/zinc/90/64/66/887906466.db2.gz GQJHPXBFLAVCHA-JTQLQIEISA-N 1 2 295.347 -1.610 20 0 CAADLO C[C@H](O)CCC[NH+]1CC(O)(CNC(=O)Cn2cnnn2)C1 ZINC001376130332 887906949 /nfs/dbraw/zinc/90/69/49/887906949.db2.gz SPNJLPDFAQVMEY-JTQLQIEISA-N 1 2 298.347 -2.003 20 0 CAADLO CCC(=O)NCC(=O)NCC1(O)C[NH+](CCCO)C1 ZINC001376143417 887909263 /nfs/dbraw/zinc/90/92/63/887909263.db2.gz RLRDPWSVGACYEA-UHFFFAOYSA-N 1 2 273.333 -1.942 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(O)(CNC(=O)c2ccn[nH]2)C1 ZINC001376144986 887908797 /nfs/dbraw/zinc/90/87/97/887908797.db2.gz YHUJILPLBDQLPY-VIFPVBQESA-N 1 2 284.316 -1.807 20 0 CAADLO C[C@H](NS(C)(=O)=O)C(=O)N[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001376144029 887908894 /nfs/dbraw/zinc/90/88/94/887908894.db2.gz BKSQFLPDULCPAW-YUMQZZPRSA-N 1 2 292.361 -2.400 20 0 CAADLO C[C@H](NS(C)(=O)=O)C(=O)N[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001376144029 887908895 /nfs/dbraw/zinc/90/88/95/887908895.db2.gz BKSQFLPDULCPAW-YUMQZZPRSA-N 1 2 292.361 -2.400 20 0 CAADLO CC[C@@H](OC)C(=O)NCC1(O)C[NH+](C[C@@H](O)COC)C1 ZINC001376139793 887909146 /nfs/dbraw/zinc/90/91/46/887909146.db2.gz SZTLPFXWMJCLPG-GHMZBOCLSA-N 1 2 290.360 -1.418 20 0 CAADLO C[C@H](O)C[NH+]1CC(O)(CNC(=O)C[C@H](C)NC(N)=O)C1 ZINC001376174677 887912185 /nfs/dbraw/zinc/91/21/85/887912185.db2.gz MEWHIOYLALJJCZ-IUCAKERBSA-N 1 2 288.348 -2.023 20 0 CAADLO CCC(=O)N[C@@H](C)C(=O)NCC1(O)C[NH+](C[C@@H](C)O)C1 ZINC001376171203 887912204 /nfs/dbraw/zinc/91/22/04/887912204.db2.gz BQSSUJJXKLRDNJ-ZJUUUORDSA-N 1 2 287.360 -1.555 20 0 CAADLO COC[C@H](C)[NH+]1CC(O)(CNC(=O)Cn2ncnn2)C1 ZINC001376168200 887912209 /nfs/dbraw/zinc/91/22/09/887912209.db2.gz GYMZTJHRPPXLTL-VIFPVBQESA-N 1 2 284.320 -2.129 20 0 CAADLO Cc1ccc(C(=O)NCC2(O)C[NH+](CCCO)C2)nn1 ZINC001376174686 887912692 /nfs/dbraw/zinc/91/26/92/887912692.db2.gz MJEOUMFZODRTPN-UHFFFAOYSA-N 1 2 280.328 -1.056 20 0 CAADLO Cc1cn(C)nc1C(=O)NCC1(O)C[NH+](CCCO)C1 ZINC001376177245 887912913 /nfs/dbraw/zinc/91/29/13/887912913.db2.gz UBHZVXJGZUKCPB-UHFFFAOYSA-N 1 2 282.344 -1.113 20 0 CAADLO CC[NH+]1CC(O)(CNC(=O)CN(C)S(C)(=O)=O)C1 ZINC001376181070 887913246 /nfs/dbraw/zinc/91/32/46/887913246.db2.gz BRSWYGXZZQCJEN-UHFFFAOYSA-N 1 2 279.362 -1.939 20 0 CAADLO COC[C@H](C)[NH+]1CC(O)(CNC(=O)C[C@H]2CCNC2=O)C1 ZINC001376188047 887913446 /nfs/dbraw/zinc/91/34/46/887913446.db2.gz WBANJQYTEUOMSA-WDEREUQCSA-N 1 2 299.371 -1.290 20 0 CAADLO CCC(=O)N[C@H](C)C(=O)NCC1(O)C[NH+](C[C@H](C)O)C1 ZINC001376171201 887913552 /nfs/dbraw/zinc/91/35/52/887913552.db2.gz BQSSUJJXKLRDNJ-VHSXEESVSA-N 1 2 287.360 -1.555 20 0 CAADLO C[C@H](O)C[NH+]1CC(O)(CNC(=O)[C@@H]2CCNC(=O)C2)C1 ZINC001376159983 887913617 /nfs/dbraw/zinc/91/36/17/887913617.db2.gz OCQYEHARYCKXCG-VHSXEESVSA-N 1 2 285.344 -1.944 20 0 CAADLO COC[C@@H](C)[NH+]1CC(O)(CNC(=O)[C@@H]2CCC(=O)NC2)C1 ZINC001376202193 887915336 /nfs/dbraw/zinc/91/53/36/887915336.db2.gz WMAAPPCIPCGKBZ-GHMZBOCLSA-N 1 2 299.371 -1.290 20 0 CAADLO Cn1nnc(C(=O)NCC2(O)C[NH+](CCCF)C2)n1 ZINC001376226958 887915754 /nfs/dbraw/zinc/91/57/54/887915754.db2.gz NMKUNDGEWDLFOC-UHFFFAOYSA-N 1 2 272.284 -1.654 20 0 CAADLO Cc1cnn(C)c1C(=O)NCC1(O)C[NH+](CCCO)C1 ZINC001376228373 887915838 /nfs/dbraw/zinc/91/58/38/887915838.db2.gz DGJADMVTHVHXJY-UHFFFAOYSA-N 1 2 282.344 -1.113 20 0 CAADLO C[C@@H](O)C[NH+]1CC(O)(CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001376232444 887915878 /nfs/dbraw/zinc/91/58/78/887915878.db2.gz OZAOBIYOWCSURC-HTQZYQBOSA-N 1 2 272.305 -2.789 20 0 CAADLO C[C@H](O)C[NH+]1CC(O)(CNC(=O)CCc2cnccn2)C1 ZINC001376268343 887918292 /nfs/dbraw/zinc/91/82/92/887918292.db2.gz OZUGSJWAPQOADM-NSHDSACASA-N 1 2 294.355 -1.047 20 0 CAADLO COc1ncc(C(=O)NCC2(O)C[NH+](C[C@@H](C)O)C2)cn1 ZINC001376264796 887918534 /nfs/dbraw/zinc/91/85/34/887918534.db2.gz DFZIGXXFQCDASU-SECBINFHSA-N 1 2 296.327 -1.358 20 0 CAADLO COC[C@H](O)C[NH+]1CC(O)(CNC(=O)Cn2cncn2)C1 ZINC001376285543 887918647 /nfs/dbraw/zinc/91/86/47/887918647.db2.gz HTMGRKWSBFMVNH-SNVBAGLBSA-N 1 2 299.331 -2.552 20 0 CAADLO COC[C@@H](C)[NH+]1CC(O)(CNC(=O)c2cnn(C)n2)C1 ZINC001376252990 887918835 /nfs/dbraw/zinc/91/88/35/887918835.db2.gz AVXGNIWAURKWCZ-SECBINFHSA-N 1 2 283.332 -1.374 20 0 CAADLO COc1ncc(C(=O)NCC2(O)C[NH+](C[C@H](C)O)C2)cn1 ZINC001376264812 887918967 /nfs/dbraw/zinc/91/89/67/887918967.db2.gz DFZIGXXFQCDASU-VIFPVBQESA-N 1 2 296.327 -1.358 20 0 CAADLO COC[C@H](C)[NH+]1CC(O)(CNC(=O)c2cnn(C)n2)C1 ZINC001376253032 887919317 /nfs/dbraw/zinc/91/93/17/887919317.db2.gz AVXGNIWAURKWCZ-VIFPVBQESA-N 1 2 283.332 -1.374 20 0 CAADLO C[C@@H](O)C[NH+]1CC(O)(CNC(=O)CCCC(N)=O)C1 ZINC001376292533 887921712 /nfs/dbraw/zinc/92/17/12/887921712.db2.gz BHFGWLBEBGORME-SECBINFHSA-N 1 2 273.333 -1.814 20 0 CAADLO C[C@H](O)C[NH+]1CC(O)(CNC(=O)CCCC(N)=O)C1 ZINC001376292534 887922403 /nfs/dbraw/zinc/92/24/03/887922403.db2.gz BHFGWLBEBGORME-VIFPVBQESA-N 1 2 273.333 -1.814 20 0 CAADLO COC[C@H](C)[NH+]1CC(O)(CNC(=O)CCCC(N)=O)C1 ZINC001376292815 887922445 /nfs/dbraw/zinc/92/24/45/887922445.db2.gz FKEZCHNLCMNSPO-JTQLQIEISA-N 1 2 287.360 -1.160 20 0 CAADLO CNC(=O)C[N@@H+]1CCC[C@](CO)(NC(=O)COC)C1 ZINC001376446424 887928557 /nfs/dbraw/zinc/92/85/57/887928557.db2.gz YICOQQJHWVMLHD-LBPRGKRZSA-N 1 2 273.333 -1.678 20 0 CAADLO CNC(=O)C[N@H+]1CCC[C@](CO)(NC(=O)COC)C1 ZINC001376446424 887928560 /nfs/dbraw/zinc/92/85/60/887928560.db2.gz YICOQQJHWVMLHD-LBPRGKRZSA-N 1 2 273.333 -1.678 20 0 CAADLO CO[C@@H](C)CC(=O)N[C@@]1(CO)CCC[N@H+](CC(N)=O)C1 ZINC001376450411 887930791 /nfs/dbraw/zinc/93/07/91/887930791.db2.gz HLZWHMZOQYLNSW-GWCFXTLKSA-N 1 2 287.360 -1.160 20 0 CAADLO CO[C@@H](C)CC(=O)N[C@@]1(CO)CCC[N@@H+](CC(N)=O)C1 ZINC001376450411 887930803 /nfs/dbraw/zinc/93/08/03/887930803.db2.gz HLZWHMZOQYLNSW-GWCFXTLKSA-N 1 2 287.360 -1.160 20 0 CAADLO CC(C)(O)CC(=O)N[C@@]1(CO)CCC[N@H+](CC(N)=O)C1 ZINC001376466105 887932071 /nfs/dbraw/zinc/93/20/71/887932071.db2.gz WDBGFOJEWOWZOX-ZDUSSCGKSA-N 1 2 287.360 -1.424 20 0 CAADLO CC(C)(O)CC(=O)N[C@@]1(CO)CCC[N@@H+](CC(N)=O)C1 ZINC001376466105 887932077 /nfs/dbraw/zinc/93/20/77/887932077.db2.gz WDBGFOJEWOWZOX-ZDUSSCGKSA-N 1 2 287.360 -1.424 20 0 CAADLO CO[C@@H](C)C(=O)NC[C@H](O)CNC(=O)CCn1cc[nH+]c1 ZINC001376520597 887937516 /nfs/dbraw/zinc/93/75/16/887937516.db2.gz JSJJAPKPIKCWMZ-WDEREUQCSA-N 1 2 298.343 -1.099 20 0 CAADLO O=C(Cc1c[nH]c[nH+]1)NC[C@@H](O)CNC(=O)c1ccon1 ZINC001376518305 887939998 /nfs/dbraw/zinc/93/99/98/887939998.db2.gz GCVCZNWZPFVYBD-SECBINFHSA-N 1 2 293.283 -1.153 20 0 CAADLO COC[C@@H](C)C(=O)NC[C@@H](O)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001376549486 887941920 /nfs/dbraw/zinc/94/19/20/887941920.db2.gz NOYMXPGZLXLQSH-ZJUUUORDSA-N 1 2 298.343 -1.172 20 0 CAADLO C[C@@H](O)C[N@@H+]1CCOC[C@@H]1CNC(=O)CNC(=O)C1CC1 ZINC001376635861 887945008 /nfs/dbraw/zinc/94/50/08/887945008.db2.gz LUFVZLGZMMRNIB-PWSUYJOCSA-N 1 2 299.371 -1.290 20 0 CAADLO C[C@@H](O)C[N@H+]1CCOC[C@@H]1CNC(=O)CNC(=O)C1CC1 ZINC001376635861 887945018 /nfs/dbraw/zinc/94/50/18/887945018.db2.gz LUFVZLGZMMRNIB-PWSUYJOCSA-N 1 2 299.371 -1.290 20 0 CAADLO CO[C@@H](C)C[N@@H+]1CCOC[C@@H]1CNC(=O)Cn1cnnn1 ZINC001376635570 887946152 /nfs/dbraw/zinc/94/61/52/887946152.db2.gz MVQNMAYBHZOKFG-QWRGUYRKSA-N 1 2 298.347 -1.475 20 0 CAADLO CO[C@@H](C)C[N@H+]1CCOC[C@@H]1CNC(=O)Cn1cnnn1 ZINC001376635570 887946162 /nfs/dbraw/zinc/94/61/62/887946162.db2.gz MVQNMAYBHZOKFG-QWRGUYRKSA-N 1 2 298.347 -1.475 20 0 CAADLO CO[C@H](C)C[N@@H+]1CCOC[C@H]1CNC(=O)Cn1cnnn1 ZINC001376635565 887946254 /nfs/dbraw/zinc/94/62/54/887946254.db2.gz MVQNMAYBHZOKFG-GHMZBOCLSA-N 1 2 298.347 -1.475 20 0 CAADLO CO[C@H](C)C[N@H+]1CCOC[C@H]1CNC(=O)Cn1cnnn1 ZINC001376635565 887946265 /nfs/dbraw/zinc/94/62/65/887946265.db2.gz MVQNMAYBHZOKFG-GHMZBOCLSA-N 1 2 298.347 -1.475 20 0 CAADLO C[C@H](O)C[N@@H+]1CCOC[C@@H]1CNC(=O)CNC(=O)C1CC1 ZINC001376635859 887946601 /nfs/dbraw/zinc/94/66/01/887946601.db2.gz LUFVZLGZMMRNIB-JQWIXIFHSA-N 1 2 299.371 -1.290 20 0 CAADLO C[C@H](O)C[N@H+]1CCOC[C@@H]1CNC(=O)CNC(=O)C1CC1 ZINC001376635859 887946606 /nfs/dbraw/zinc/94/66/06/887946606.db2.gz LUFVZLGZMMRNIB-JQWIXIFHSA-N 1 2 299.371 -1.290 20 0 CAADLO CO[C@H](C)C[N@@H+]1CCOC[C@@H]1CNC(=O)Cn1cnnn1 ZINC001376635568 887946761 /nfs/dbraw/zinc/94/67/61/887946761.db2.gz MVQNMAYBHZOKFG-MNOVXSKESA-N 1 2 298.347 -1.475 20 0 CAADLO CO[C@H](C)C[N@H+]1CCOC[C@@H]1CNC(=O)Cn1cnnn1 ZINC001376635568 887946764 /nfs/dbraw/zinc/94/67/64/887946764.db2.gz MVQNMAYBHZOKFG-MNOVXSKESA-N 1 2 298.347 -1.475 20 0 CAADLO CC[N@@H+]1CCOC[C@@H]1CNC(=O)CN1CCNC(=O)C1 ZINC001376646370 887946852 /nfs/dbraw/zinc/94/68/52/887946852.db2.gz KDYJRGYCYZPEEI-NSHDSACASA-N 1 2 284.360 -1.745 20 0 CAADLO CC[N@H+]1CCOC[C@@H]1CNC(=O)CN1CCNC(=O)C1 ZINC001376646370 887946854 /nfs/dbraw/zinc/94/68/54/887946854.db2.gz KDYJRGYCYZPEEI-NSHDSACASA-N 1 2 284.360 -1.745 20 0 CAADLO C[C@@H](CNC(=O)[C@H]1CCC(=O)N1)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001376698721 887951946 /nfs/dbraw/zinc/95/19/46/887951946.db2.gz HKMVXBDXDWZLMS-JGVFFNPUSA-N 1 2 296.331 -2.019 20 0 CAADLO C[C@H](CNC(=O)[C@H]1CCC(=O)N1)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001376698719 887953223 /nfs/dbraw/zinc/95/32/23/887953223.db2.gz HKMVXBDXDWZLMS-HTQZYQBOSA-N 1 2 296.331 -2.019 20 0 CAADLO C[C@@H](CNC(=O)CC(C)(C)O)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001376716460 887953896 /nfs/dbraw/zinc/95/38/96/887953896.db2.gz OTECTPLMDHUILD-QMMMGPOBSA-N 1 2 285.348 -1.136 20 0 CAADLO C[C@@H](CNC(=O)[C@@H]1CNC(=O)N1)[NH2+]Cc1cnsn1 ZINC001376808501 887960787 /nfs/dbraw/zinc/96/07/87/887960787.db2.gz URSSISBSAAPECV-XPUUQOCRSA-N 1 2 284.345 -1.186 20 0 CAADLO C[C@@H](CNC(=O)[C@H]1CNC(=O)N1)[NH2+]Cc1cnsn1 ZINC001376808486 887961169 /nfs/dbraw/zinc/96/11/69/887961169.db2.gz URSSISBSAAPECV-POYBYMJQSA-N 1 2 284.345 -1.186 20 0 CAADLO CC(=O)N[C@@H](C)C(=O)N[C@@H]1COC2(C[NH+](CCO)C2)C1 ZINC001377061591 887971992 /nfs/dbraw/zinc/97/19/92/887971992.db2.gz PHPIWKANMCJNOA-ONGXEEELSA-N 1 2 285.344 -1.537 20 0 CAADLO CC(=O)N[C@@H](C)C(=O)N[C@H]1COC2(C[NH+](CCO)C2)C1 ZINC001377061573 887972229 /nfs/dbraw/zinc/97/22/29/887972229.db2.gz PHPIWKANMCJNOA-GXSJLCMTSA-N 1 2 285.344 -1.537 20 0 CAADLO CCCNC(=O)C[N@H+](C)CCNC(=O)[C@@H]1COCCO1 ZINC001377124964 887975595 /nfs/dbraw/zinc/97/55/95/887975595.db2.gz AYJKWSREOFGJGC-NSHDSACASA-N 1 2 287.360 -1.024 20 0 CAADLO CCCNC(=O)C[N@@H+](C)CCNC(=O)[C@@H]1COCCO1 ZINC001377124964 887975599 /nfs/dbraw/zinc/97/55/99/887975599.db2.gz AYJKWSREOFGJGC-NSHDSACASA-N 1 2 287.360 -1.024 20 0 CAADLO COCC(=O)NCC[N@H+](C)CC(=O)NC1CCOCC1 ZINC001377106909 887975987 /nfs/dbraw/zinc/97/59/87/887975987.db2.gz IXYXZQMMYVKNLU-UHFFFAOYSA-N 1 2 287.360 -1.024 20 0 CAADLO COCC(=O)NCC[N@@H+](C)CC(=O)NC1CCOCC1 ZINC001377106909 887975996 /nfs/dbraw/zinc/97/59/96/887975996.db2.gz IXYXZQMMYVKNLU-UHFFFAOYSA-N 1 2 287.360 -1.024 20 0 CAADLO C[C@H](CNC(=O)Cc1nc[nH]n1)NC(=O)Cn1cc[nH+]c1 ZINC001377102529 887976374 /nfs/dbraw/zinc/97/63/74/887976374.db2.gz WTYYFSPLFKWFQQ-SECBINFHSA-N 1 2 291.315 -1.135 20 0 CAADLO NC(=O)CCCC(=O)N[C@@H]1COC2(C[NH+](CCCO)C2)C1 ZINC001377082418 887976731 /nfs/dbraw/zinc/97/67/31/887976731.db2.gz JMFOALDKXCBGMV-NSHDSACASA-N 1 2 299.371 -1.016 20 0 CAADLO Cn1[nH]c(C[N@H+](C)CCNC(=O)c2cnsn2)nc1=O ZINC001377125931 887976815 /nfs/dbraw/zinc/97/68/15/887976815.db2.gz CPGGWBFKYFYNCO-UHFFFAOYSA-N 1 2 297.344 -1.178 20 0 CAADLO Cn1[nH]c(C[N@@H+](C)CCNC(=O)c2cnsn2)nc1=O ZINC001377125931 887976817 /nfs/dbraw/zinc/97/68/17/887976817.db2.gz CPGGWBFKYFYNCO-UHFFFAOYSA-N 1 2 297.344 -1.178 20 0 CAADLO C[N@H+](CCNC(=O)C[C@H]1CCNC1=O)CC(=O)NC1CC1 ZINC001377167129 887977823 /nfs/dbraw/zinc/97/78/23/887977823.db2.gz NMGNRVDWCRYCQI-SNVBAGLBSA-N 1 2 296.371 -1.161 20 0 CAADLO C[N@@H+](CCNC(=O)C[C@H]1CCNC1=O)CC(=O)NC1CC1 ZINC001377167129 887977834 /nfs/dbraw/zinc/97/78/34/887977834.db2.gz NMGNRVDWCRYCQI-SNVBAGLBSA-N 1 2 296.371 -1.161 20 0 CAADLO CC(=O)NC1(C[NH2+]Cc2nn(C)c(=O)[nH]2)CCOCC1 ZINC001377175526 887978268 /nfs/dbraw/zinc/97/82/68/887978268.db2.gz GUQYKQOMUFMOML-UHFFFAOYSA-N 1 2 283.332 -1.117 20 0 CAADLO Cn1cc(C(=O)NCC[N@H+](C)CC(=O)NC2CC2)nn1 ZINC001377145714 887978176 /nfs/dbraw/zinc/97/81/76/887978176.db2.gz QJWFFTORYWYHQF-UHFFFAOYSA-N 1 2 280.332 -1.245 20 0 CAADLO Cn1cc(C(=O)NCC[N@@H+](C)CC(=O)NC2CC2)nn1 ZINC001377145714 887978183 /nfs/dbraw/zinc/97/81/83/887978183.db2.gz QJWFFTORYWYHQF-UHFFFAOYSA-N 1 2 280.332 -1.245 20 0 CAADLO Cn1cc(C(=O)NCC[N@H+](C)Cc2nc(=O)n(C)[nH]2)nn1 ZINC001377145608 887978541 /nfs/dbraw/zinc/97/85/41/887978541.db2.gz PNALYROYFWQEIW-UHFFFAOYSA-N 1 2 294.319 -1.901 20 0 CAADLO Cn1cc(C(=O)NCC[N@@H+](C)Cc2nc(=O)n(C)[nH]2)nn1 ZINC001377145608 887978549 /nfs/dbraw/zinc/97/85/49/887978549.db2.gz PNALYROYFWQEIW-UHFFFAOYSA-N 1 2 294.319 -1.901 20 0 CAADLO Cn1[nH]c(C[N@H+](C)CCNC(=O)[C@H]2COC(=O)N2)nc1=O ZINC001377143171 887978690 /nfs/dbraw/zinc/97/86/90/887978690.db2.gz HFUDUQVPZBEIPS-SSDOTTSWSA-N 1 2 298.303 -2.235 20 0 CAADLO Cn1[nH]c(C[N@@H+](C)CCNC(=O)[C@H]2COC(=O)N2)nc1=O ZINC001377143171 887978695 /nfs/dbraw/zinc/97/86/95/887978695.db2.gz HFUDUQVPZBEIPS-SSDOTTSWSA-N 1 2 298.303 -2.235 20 0 CAADLO CNC(=O)NCC(=O)NCC[N@H+](C)CC(=O)NC(C)C ZINC001377165273 887978765 /nfs/dbraw/zinc/97/87/65/887978765.db2.gz VBQUBVLFPCLFFV-UHFFFAOYSA-N 1 2 287.364 -1.512 20 0 CAADLO CNC(=O)NCC(=O)NCC[N@@H+](C)CC(=O)NC(C)C ZINC001377165273 887978766 /nfs/dbraw/zinc/97/87/66/887978766.db2.gz VBQUBVLFPCLFFV-UHFFFAOYSA-N 1 2 287.364 -1.512 20 0 CAADLO CCN(C)C(=O)C[N@H+](C)CCNC(=O)[C@H]1CC(=O)N(C)C1 ZINC001377167540 887978837 /nfs/dbraw/zinc/97/88/37/887978837.db2.gz WIIHWNDDOKTOJL-NSHDSACASA-N 1 2 298.387 -1.009 20 0 CAADLO CCN(C)C(=O)C[N@@H+](C)CCNC(=O)[C@H]1CC(=O)N(C)C1 ZINC001377167540 887978840 /nfs/dbraw/zinc/97/88/40/887978840.db2.gz WIIHWNDDOKTOJL-NSHDSACASA-N 1 2 298.387 -1.009 20 0 CAADLO Cn1cnc(C(=O)NCC[N@H+](C)Cc2nc(=O)n(C)[nH]2)c1 ZINC001377145944 887978848 /nfs/dbraw/zinc/97/88/48/887978848.db2.gz XQJUVXYSXXDUPP-UHFFFAOYSA-N 1 2 293.331 -1.296 20 0 CAADLO Cn1cnc(C(=O)NCC[N@@H+](C)Cc2nc(=O)n(C)[nH]2)c1 ZINC001377145944 887978851 /nfs/dbraw/zinc/97/88/51/887978851.db2.gz XQJUVXYSXXDUPP-UHFFFAOYSA-N 1 2 293.331 -1.296 20 0 CAADLO CCNC(=O)C[N@H+](C)CCNC(=O)[C@H]1CCCC(=O)N1 ZINC001377172827 887978924 /nfs/dbraw/zinc/97/89/24/887978924.db2.gz URWVCQGCYGQRTR-SNVBAGLBSA-N 1 2 284.360 -1.161 20 0 CAADLO CCNC(=O)C[N@@H+](C)CCNC(=O)[C@H]1CCCC(=O)N1 ZINC001377172827 887978930 /nfs/dbraw/zinc/97/89/30/887978930.db2.gz URWVCQGCYGQRTR-SNVBAGLBSA-N 1 2 284.360 -1.161 20 0 CAADLO CCNC(=O)C[N@H+](C)CCNC(=O)Cc1nnc(C)[nH]1 ZINC001377153047 887978970 /nfs/dbraw/zinc/97/89/70/887978970.db2.gz ZLGYBRHUDCJIGE-UHFFFAOYSA-N 1 2 282.348 -1.160 20 0 CAADLO CCNC(=O)C[N@@H+](C)CCNC(=O)Cc1nnc(C)[nH]1 ZINC001377153047 887978973 /nfs/dbraw/zinc/97/89/73/887978973.db2.gz ZLGYBRHUDCJIGE-UHFFFAOYSA-N 1 2 282.348 -1.160 20 0 CAADLO CN(C(=O)C[N@H+](C)CCNC(=O)[C@@H]1COC(=O)N1)C1CC1 ZINC001377141619 887979117 /nfs/dbraw/zinc/97/91/17/887979117.db2.gz BJDUUAMNAFWOGJ-JTQLQIEISA-N 1 2 298.343 -1.236 20 0 CAADLO CN(C(=O)C[N@@H+](C)CCNC(=O)[C@@H]1COC(=O)N1)C1CC1 ZINC001377141619 887979120 /nfs/dbraw/zinc/97/91/20/887979120.db2.gz BJDUUAMNAFWOGJ-JTQLQIEISA-N 1 2 298.343 -1.236 20 0 CAADLO Cn1[nH]c(C[N@H+](C)CCNC(=O)[C@@H]2COC(=O)N2)nc1=O ZINC001377143172 887979173 /nfs/dbraw/zinc/97/91/73/887979173.db2.gz HFUDUQVPZBEIPS-ZETCQYMHSA-N 1 2 298.303 -2.235 20 0 CAADLO Cn1[nH]c(C[N@@H+](C)CCNC(=O)[C@@H]2COC(=O)N2)nc1=O ZINC001377143172 887979175 /nfs/dbraw/zinc/97/91/75/887979175.db2.gz HFUDUQVPZBEIPS-ZETCQYMHSA-N 1 2 298.303 -2.235 20 0 CAADLO C[C@H](CC(=O)NCC[N@H+](C)CC(=O)N1CCC1)NC(N)=O ZINC001377148823 887979303 /nfs/dbraw/zinc/97/93/03/887979303.db2.gz AXOYDNKOWGPJQO-SNVBAGLBSA-N 1 2 299.375 -1.286 20 0 CAADLO C[C@H](CC(=O)NCC[N@@H+](C)CC(=O)N1CCC1)NC(N)=O ZINC001377148823 887979305 /nfs/dbraw/zinc/97/93/05/887979305.db2.gz AXOYDNKOWGPJQO-SNVBAGLBSA-N 1 2 299.375 -1.286 20 0 CAADLO C[N@H+](CCNC(=O)[C@H]1CNC(=O)N1)CC(=O)NCC1CC1 ZINC001377211061 887980990 /nfs/dbraw/zinc/98/09/90/887980990.db2.gz KFIPFWRXBJVUSL-SNVBAGLBSA-N 1 2 297.359 -1.758 20 0 CAADLO C[N@@H+](CCNC(=O)[C@H]1CNC(=O)N1)CC(=O)NCC1CC1 ZINC001377211061 887980998 /nfs/dbraw/zinc/98/09/98/887980998.db2.gz KFIPFWRXBJVUSL-SNVBAGLBSA-N 1 2 297.359 -1.758 20 0 CAADLO CNC(=O)C[N@H+](C)CCNC(=O)[C@@H]1CCCN(C(N)=O)C1 ZINC001377189187 887981191 /nfs/dbraw/zinc/98/11/91/887981191.db2.gz DDKVYVUARNVWPO-SNVBAGLBSA-N 1 2 299.375 -1.429 20 0 CAADLO CNC(=O)C[N@@H+](C)CCNC(=O)[C@@H]1CCCN(C(N)=O)C1 ZINC001377189187 887981196 /nfs/dbraw/zinc/98/11/96/887981196.db2.gz DDKVYVUARNVWPO-SNVBAGLBSA-N 1 2 299.375 -1.429 20 0 CAADLO CNC(=O)C[N@H+](C)CCNC(=O)CCCS(N)(=O)=O ZINC001377215396 887981247 /nfs/dbraw/zinc/98/12/47/887981247.db2.gz ZOUZIZGXIOEKRX-UHFFFAOYSA-N 1 2 294.377 -2.151 20 0 CAADLO CNC(=O)C[N@@H+](C)CCNC(=O)CCCS(N)(=O)=O ZINC001377215396 887981258 /nfs/dbraw/zinc/98/12/58/887981258.db2.gz ZOUZIZGXIOEKRX-UHFFFAOYSA-N 1 2 294.377 -2.151 20 0 CAADLO C[N@H+](CCNC(=O)[C@@H]1CNC(=O)N1)CC(=O)NCC1CC1 ZINC001377211059 887981659 /nfs/dbraw/zinc/98/16/59/887981659.db2.gz KFIPFWRXBJVUSL-JTQLQIEISA-N 1 2 297.359 -1.758 20 0 CAADLO C[N@@H+](CCNC(=O)[C@@H]1CNC(=O)N1)CC(=O)NCC1CC1 ZINC001377211059 887981666 /nfs/dbraw/zinc/98/16/66/887981666.db2.gz KFIPFWRXBJVUSL-JTQLQIEISA-N 1 2 297.359 -1.758 20 0 CAADLO CNC(=O)C[N@H+](C)CCNC(=O)[C@H]1CCNC(=O)CC1 ZINC001377202382 887982680 /nfs/dbraw/zinc/98/26/80/887982680.db2.gz FKUZLQVXRBSQFL-SNVBAGLBSA-N 1 2 284.360 -1.303 20 0 CAADLO CNC(=O)C[N@@H+](C)CCNC(=O)[C@H]1CCNC(=O)CC1 ZINC001377202382 887982695 /nfs/dbraw/zinc/98/26/95/887982695.db2.gz FKUZLQVXRBSQFL-SNVBAGLBSA-N 1 2 284.360 -1.303 20 0 CAADLO C[N@H+](CCNC(=O)CCNC(N)=O)CC(=O)NC1CC1 ZINC001377256630 887984989 /nfs/dbraw/zinc/98/49/89/887984989.db2.gz NMQKIFUXOPECLE-UHFFFAOYSA-N 1 2 285.348 -1.629 20 0 CAADLO C[N@@H+](CCNC(=O)CCNC(N)=O)CC(=O)NC1CC1 ZINC001377256630 887984997 /nfs/dbraw/zinc/98/49/97/887984997.db2.gz NMQKIFUXOPECLE-UHFFFAOYSA-N 1 2 285.348 -1.629 20 0 CAADLO C[C@H](CNC(=O)Cc1[nH]cc[nH+]1)NC(=O)c1nnn(C)n1 ZINC001377233369 887985933 /nfs/dbraw/zinc/98/59/33/887985933.db2.gz XNYGPBIICPTTSE-SSDOTTSWSA-N 1 2 292.303 -1.590 20 0 CAADLO CNC(=O)C[N@H+](C)CCNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001377266396 887986307 /nfs/dbraw/zinc/98/63/07/887986307.db2.gz NCSTZFZLLFGSSQ-QMMMGPOBSA-N 1 2 292.361 -2.528 20 0 CAADLO CNC(=O)C[N@@H+](C)CCNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001377266396 887986314 /nfs/dbraw/zinc/98/63/14/887986314.db2.gz NCSTZFZLLFGSSQ-QMMMGPOBSA-N 1 2 292.361 -2.528 20 0 CAADLO Cc1nc(C)c(CC(=O)NCC[N@@H+](C)CC(N)=O)c(=O)[nH]1 ZINC001377265584 887986500 /nfs/dbraw/zinc/98/65/00/887986500.db2.gz LNLBNBRLXKXEOV-UHFFFAOYSA-N 1 2 295.343 -1.125 20 0 CAADLO Cc1nc(C)c(CC(=O)NCC[N@H+](C)CC(N)=O)c(=O)[nH]1 ZINC001377265584 887986508 /nfs/dbraw/zinc/98/65/08/887986508.db2.gz LNLBNBRLXKXEOV-UHFFFAOYSA-N 1 2 295.343 -1.125 20 0 CAADLO CN(C)C(=O)C[N@H+](C)CCNC(=O)C[C@@H]1CCC(=O)N1 ZINC001377231955 887987757 /nfs/dbraw/zinc/98/77/57/887987757.db2.gz HSYKQEFUAKUTON-JTQLQIEISA-N 1 2 284.360 -1.209 20 0 CAADLO CN(C)C(=O)C[N@@H+](C)CCNC(=O)C[C@@H]1CCC(=O)N1 ZINC001377231955 887987775 /nfs/dbraw/zinc/98/77/75/887987775.db2.gz HSYKQEFUAKUTON-JTQLQIEISA-N 1 2 284.360 -1.209 20 0 CAADLO C[N@@H+](CCNC(=O)COC[C@H]1CCCO1)CC(N)=O ZINC001377272929 887988286 /nfs/dbraw/zinc/98/82/86/887988286.db2.gz HXZMKYLLOPZQQS-SNVBAGLBSA-N 1 2 273.333 -1.285 20 0 CAADLO C[N@H+](CCNC(=O)COC[C@H]1CCCO1)CC(N)=O ZINC001377272929 887988283 /nfs/dbraw/zinc/98/82/83/887988283.db2.gz HXZMKYLLOPZQQS-SNVBAGLBSA-N 1 2 273.333 -1.285 20 0 CAADLO C[C@H](CNC(=O)[C@@H]1CNC(=O)N1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001377253211 887988340 /nfs/dbraw/zinc/98/83/40/887988340.db2.gz GBBUONQOTNBOPG-SFYZADRCSA-N 1 2 294.315 -1.746 20 0 CAADLO CN(C)C(=O)C[N@H+](C)CCNC(=O)c1cn(C)c(=O)n1C ZINC001377277195 887991304 /nfs/dbraw/zinc/99/13/04/887991304.db2.gz OUGNFEDLVMEGMM-UHFFFAOYSA-N 1 2 297.359 -1.526 20 0 CAADLO CN(C)C(=O)C[N@@H+](C)CCNC(=O)c1cn(C)c(=O)n1C ZINC001377277195 887991309 /nfs/dbraw/zinc/99/13/09/887991309.db2.gz OUGNFEDLVMEGMM-UHFFFAOYSA-N 1 2 297.359 -1.526 20 0 CAADLO NC(=O)NC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cn[nH]c1 ZINC001377388520 887993672 /nfs/dbraw/zinc/99/36/72/887993672.db2.gz YIPOEDYOVUKLPK-SECBINFHSA-N 1 2 294.315 -1.201 20 0 CAADLO NC(=O)NC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)c1cn[nH]c1 ZINC001377388520 887993679 /nfs/dbraw/zinc/99/36/79/887993679.db2.gz YIPOEDYOVUKLPK-SECBINFHSA-N 1 2 294.315 -1.201 20 0 CAADLO NC(=O)NC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)c1cn[nH]c1 ZINC001377388524 887994815 /nfs/dbraw/zinc/99/48/15/887994815.db2.gz YIPOEDYOVUKLPK-VIFPVBQESA-N 1 2 294.315 -1.201 20 0 CAADLO NC(=O)NC(=O)C[N@H+]1CCC[C@H]1CNC(=O)c1cn[nH]c1 ZINC001377388524 887994823 /nfs/dbraw/zinc/99/48/23/887994823.db2.gz YIPOEDYOVUKLPK-VIFPVBQESA-N 1 2 294.315 -1.201 20 0 CAADLO O=C(Cn1cnnn1)NC[C@@H]1CC[N@H+](Cc2cnon2)C1 ZINC001377422625 887995000 /nfs/dbraw/zinc/99/50/00/887995000.db2.gz LZXXXUMFIPZGLY-VIFPVBQESA-N 1 2 292.303 -1.306 20 0 CAADLO O=C(Cn1cnnn1)NC[C@@H]1CC[N@@H+](Cc2cnon2)C1 ZINC001377422625 887995006 /nfs/dbraw/zinc/99/50/06/887995006.db2.gz LZXXXUMFIPZGLY-VIFPVBQESA-N 1 2 292.303 -1.306 20 0 CAADLO NC(=O)C[NH+]1CCC(CO)(NC(=O)c2ccnnc2)CC1 ZINC001377564713 887999984 /nfs/dbraw/zinc/99/99/84/887999984.db2.gz FOSRYDXDAIBQGU-UHFFFAOYSA-N 1 2 293.327 -1.481 20 0 CAADLO NC(=O)C[NH+]1CCC(CO)(NC(=O)Cc2ccon2)CC1 ZINC001377547794 888002411 /nfs/dbraw/zinc/00/24/11/888002411.db2.gz CEZOVVGXNCRLTN-UHFFFAOYSA-N 1 2 296.327 -1.355 20 0 CAADLO CO[C@@H](C)CC(=O)NC1(CO)CC[NH+](CC(N)=O)CC1 ZINC001377552098 888002917 /nfs/dbraw/zinc/00/29/17/888002917.db2.gz SSPRUCADMQFVKH-JTQLQIEISA-N 1 2 287.360 -1.160 20 0 CAADLO CNC(=O)NCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H](C)C(N)=O ZINC001377627111 888008118 /nfs/dbraw/zinc/00/81/18/888008118.db2.gz SBRRJZNXAWBBJK-LPEHRKFASA-N 1 2 297.359 -1.536 20 0 CAADLO CNC(=O)NCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H](C)C(N)=O ZINC001377627111 888008126 /nfs/dbraw/zinc/00/81/26/888008126.db2.gz SBRRJZNXAWBBJK-LPEHRKFASA-N 1 2 297.359 -1.536 20 0 CAADLO C[C@H](CC(=O)N[C@H]1CCC[N@H+](CC(N)=O)C1)NC(N)=O ZINC001377835697 888010900 /nfs/dbraw/zinc/01/09/00/888010900.db2.gz KMFQLFRJZCQCRQ-BDAKNGLRSA-N 1 2 285.348 -1.501 20 0 CAADLO C[C@H](CC(=O)N[C@H]1CCC[N@@H+](CC(N)=O)C1)NC(N)=O ZINC001377835697 888010906 /nfs/dbraw/zinc/01/09/06/888010906.db2.gz KMFQLFRJZCQCRQ-BDAKNGLRSA-N 1 2 285.348 -1.501 20 0 CAADLO COC(=O)NCC(=O)NC[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001377742406 888013656 /nfs/dbraw/zinc/01/36/56/888013656.db2.gz FVKYEZYATXXVDO-VIFPVBQESA-N 1 2 297.315 -1.140 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(NC(=O)c2ccc(=O)[nH]n2)C1 ZINC001377858467 888015135 /nfs/dbraw/zinc/01/51/35/888015135.db2.gz NUZWDEOMMWHQOJ-VIFPVBQESA-N 1 2 282.300 -1.397 20 0 CAADLO CC[C@@H](NC(C)=O)C(=O)N[C@H]1CCC[N@H+](CC(N)=O)C1 ZINC001377847994 888015485 /nfs/dbraw/zinc/01/54/85/888015485.db2.gz HJRHTRQJOYVRFI-WDEREUQCSA-N 1 2 284.360 -1.033 20 0 CAADLO CC[C@@H](NC(C)=O)C(=O)N[C@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001377847994 888015494 /nfs/dbraw/zinc/01/54/94/888015494.db2.gz HJRHTRQJOYVRFI-WDEREUQCSA-N 1 2 284.360 -1.033 20 0 CAADLO COC[C@H](O)C[NH+]1CC(NC(=O)CN2CCCC2=O)C1 ZINC001377863036 888016719 /nfs/dbraw/zinc/01/67/19/888016719.db2.gz UWFGPIKUOCLJDA-LLVKDONJSA-N 1 2 285.344 -1.584 20 0 CAADLO COC[C@H](O)C[NH+]1CC(NC(=O)c2nnn(C)c2C)C1 ZINC001377872933 888016801 /nfs/dbraw/zinc/01/68/01/888016801.db2.gz OKRZTFZUKJDXLF-SNVBAGLBSA-N 1 2 283.332 -1.455 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(NC(=O)Cc2cnn(C)c2)C1 ZINC001377873123 888016884 /nfs/dbraw/zinc/01/68/84/888016884.db2.gz QXBJCYKHLRIKIF-LBPRGKRZSA-N 1 2 282.344 -1.230 20 0 CAADLO NC(=O)NC(=O)CN1CC(NC(=O)CCn2cc[nH+]c2)C1 ZINC001377909011 888017835 /nfs/dbraw/zinc/01/78/35/888017835.db2.gz WQBCWYGZRKCGSF-UHFFFAOYSA-N 1 2 294.315 -1.732 20 0 CAADLO CNC(=O)C[NH+]1CC(CNC(=O)[C@@H](C)NC(C)=O)C1 ZINC001377953603 888021641 /nfs/dbraw/zinc/02/16/41/888021641.db2.gz HEGCVJCNGOQXHH-MRVPVSSYSA-N 1 2 270.333 -1.695 20 0 CAADLO COCC(=O)NCCC(=O)NC1C[NH+](C[C@@H](C)O)C1 ZINC001377882472 888019383 /nfs/dbraw/zinc/01/93/83/888019383.db2.gz DYWOWYACMPTJHU-SECBINFHSA-N 1 2 273.333 -1.680 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(NC(=O)c2cnc[nH]c2=O)C1 ZINC001377889243 888019796 /nfs/dbraw/zinc/01/97/96/888019796.db2.gz MPKNGSQQTWIFKR-VIFPVBQESA-N 1 2 282.300 -1.397 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(NC(=O)c2cn(C)nc2OC)C1 ZINC001377905238 888019826 /nfs/dbraw/zinc/01/98/26/888019826.db2.gz KVCGXYHOQSMXOL-JTQLQIEISA-N 1 2 298.343 -1.150 20 0 CAADLO C[C@@H](C(N)=O)[NH+]1CC(CNC(=O)CN2CCCC2=O)C1 ZINC001377955725 888021684 /nfs/dbraw/zinc/02/16/84/888021684.db2.gz NUMKVRBWBGWLTK-VIFPVBQESA-N 1 2 282.344 -1.469 20 0 CAADLO CO[C@@H](C)C(=O)NCC1C[NH+](CC(=O)N2CCOCC2)C1 ZINC001377956242 888020582 /nfs/dbraw/zinc/02/05/82/888020582.db2.gz OBBCKDXEKFKOCM-NSHDSACASA-N 1 2 299.371 -1.072 20 0 CAADLO CNC(=O)NC(=O)CN1CC(NC(=O)Cn2cc[nH+]c2)C1 ZINC001377950923 888021336 /nfs/dbraw/zinc/02/13/36/888021336.db2.gz SZEIFRDWURYNLR-UHFFFAOYSA-N 1 2 294.315 -1.861 20 0 CAADLO CC(=O)N[C@@H](C)C(=O)NCC1C[NH+](CC(=O)NC2CC2)C1 ZINC001377957263 888022304 /nfs/dbraw/zinc/02/23/04/888022304.db2.gz SWSAZUAWXMFFKM-VIFPVBQESA-N 1 2 296.371 -1.162 20 0 CAADLO CO[C@H](C)C(=O)NCC1C[NH+](CC(=O)N2CCOCC2)C1 ZINC001377956240 888022378 /nfs/dbraw/zinc/02/23/78/888022378.db2.gz OBBCKDXEKFKOCM-LLVKDONJSA-N 1 2 299.371 -1.072 20 0 CAADLO C[C@@H](O)C[NH+]1CC(NC(=O)COCc2nncn2C)C1 ZINC001377924942 888022624 /nfs/dbraw/zinc/02/26/24/888022624.db2.gz ATQOTRFOVTVBCK-SECBINFHSA-N 1 2 283.332 -1.487 20 0 CAADLO CN(C)C(=O)C[NH+]1CC(CNC(=O)C[C@@H]2CCNC2=O)C1 ZINC001377977432 888024443 /nfs/dbraw/zinc/02/44/43/888024443.db2.gz URYCAVCYDLIQQR-NSHDSACASA-N 1 2 296.371 -1.351 20 0 CAADLO Cc1nnc(CC(=O)NCC2C[NH+]([C@@H]3CCNC3=O)C2)o1 ZINC001377969515 888024527 /nfs/dbraw/zinc/02/45/27/888024527.db2.gz LNIWTUDDEGBOQJ-SNVBAGLBSA-N 1 2 293.327 -1.143 20 0 CAADLO C[C@H](CC(N)=O)C(=O)NCC1C[NH+]([C@@H](C)C(N)=O)C1 ZINC001377989484 888025142 /nfs/dbraw/zinc/02/51/42/888025142.db2.gz ZIQXPQLXCCELJP-SFYZADRCSA-N 1 2 270.333 -1.580 20 0 CAADLO CCNC(=O)C[NH+]1CC(CNC(=O)c2[nH]nnc2C)C1 ZINC001377984855 888025241 /nfs/dbraw/zinc/02/52/41/888025241.db2.gz MITLLAIIMQTBGH-UHFFFAOYSA-N 1 2 280.332 -1.089 20 0 CAADLO C[C@H](CC(=O)NCC1C[NH+]([C@H]2CCNC2=O)C1)NC(N)=O ZINC001377971464 888025501 /nfs/dbraw/zinc/02/55/01/888025501.db2.gz MZUPOLUBTZHSTM-SCZZXKLOSA-N 1 2 297.359 -1.630 20 0 CAADLO C[C@H](CNC(=O)C1CC1)[N@H+](C)CC(=O)N1CCNC(=O)C1 ZINC001377975601 888025674 /nfs/dbraw/zinc/02/56/74/888025674.db2.gz AMWLXUMIEALQOR-SNVBAGLBSA-N 1 2 296.371 -1.209 20 0 CAADLO C[C@H](CNC(=O)C1CC1)[N@@H+](C)CC(=O)N1CCNC(=O)C1 ZINC001377975601 888025679 /nfs/dbraw/zinc/02/56/79/888025679.db2.gz AMWLXUMIEALQOR-SNVBAGLBSA-N 1 2 296.371 -1.209 20 0 CAADLO CN(C)C(=O)C[NH+]1CC(CNC(=O)CCn2cncn2)C1 ZINC001377960507 888025708 /nfs/dbraw/zinc/02/57/08/888025708.db2.gz HOLMFJWNCZNEQY-UHFFFAOYSA-N 1 2 294.359 -1.196 20 0 CAADLO Cc1nnc(CC(=O)NCC2C[NH+]([C@H]3CCNC3=O)C2)o1 ZINC001377969513 888025835 /nfs/dbraw/zinc/02/58/35/888025835.db2.gz LNIWTUDDEGBOQJ-JTQLQIEISA-N 1 2 293.327 -1.143 20 0 CAADLO CNC(=O)C[NH+]1CC(CNC(=O)Cn2nccc2C)C1 ZINC001378000228 888025988 /nfs/dbraw/zinc/02/59/88/888025988.db2.gz JZYYPXQZCDRNSU-UHFFFAOYSA-N 1 2 279.344 -1.014 20 0 CAADLO C[C@@H](C(N)=O)[NH+]1CC(CNC(=O)Cc2ccn(C)n2)C1 ZINC001377972771 888026071 /nfs/dbraw/zinc/02/60/71/888026071.db2.gz RFDHOTSPBQUWCV-VIFPVBQESA-N 1 2 279.344 -1.116 20 0 CAADLO NC(=O)NC(=O)C[NH+]1CC(CNC(=O)C[C@H]2CCOC2)C1 ZINC001377960540 888026169 /nfs/dbraw/zinc/02/61/69/888026169.db2.gz ZFRSDCYINZEIRN-SECBINFHSA-N 1 2 298.343 -1.344 20 0 CAADLO C[C@H](C(N)=O)[NH+]1CC(CNC(=O)Cc2ccn(C)n2)C1 ZINC001377972768 888026307 /nfs/dbraw/zinc/02/63/07/888026307.db2.gz RFDHOTSPBQUWCV-SECBINFHSA-N 1 2 279.344 -1.116 20 0 CAADLO O=C(CCc1nnc[nH]1)NCC1C[NH+]([C@@H]2CCNC2=O)C1 ZINC001377960809 888026346 /nfs/dbraw/zinc/02/63/46/888026346.db2.gz XDXPCBBVOPIROD-SNVBAGLBSA-N 1 2 292.343 -1.326 20 0 CAADLO CNC(=O)C[NH+]1CC(CNC(=O)[C@@]2(C)CCNC(=O)C2)C1 ZINC001377973216 888026508 /nfs/dbraw/zinc/02/65/08/888026508.db2.gz ADASHLDXFAYJRQ-AWEZNQCLSA-N 1 2 296.371 -1.303 20 0 CAADLO NC(=O)C[NH+]1CC(CNC(=O)Cn2cc(C3CC3)nn2)C1 ZINC001377976581 888026773 /nfs/dbraw/zinc/02/67/73/888026773.db2.gz PPDLKNZWXDSFGV-UHFFFAOYSA-N 1 2 292.343 -1.311 20 0 CAADLO COCC(=O)N(C)CC(=O)NCC1C[NH+](CC(N)=O)C1 ZINC001377974070 888026967 /nfs/dbraw/zinc/02/69/67/888026967.db2.gz SNOPKKKCXVLSRK-UHFFFAOYSA-N 1 2 286.332 -2.376 20 0 CAADLO NC(=O)C[NH+]1CC(CNC(=O)CN2CCCCC2=O)C1 ZINC001377983433 888027227 /nfs/dbraw/zinc/02/72/27/888027227.db2.gz MRMRQDLHMLWTKB-UHFFFAOYSA-N 1 2 282.344 -1.468 20 0 CAADLO CN(C)C(=O)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCNC(N)=O ZINC001378046709 888030178 /nfs/dbraw/zinc/03/01/78/888030178.db2.gz QZAKULYHCMZBHP-UWVGGRQHSA-N 1 2 297.359 -1.582 20 0 CAADLO CN(C)C(=O)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCNC(N)=O ZINC001378046709 888030187 /nfs/dbraw/zinc/03/01/87/888030187.db2.gz QZAKULYHCMZBHP-UWVGGRQHSA-N 1 2 297.359 -1.582 20 0 CAADLO CC(=O)NCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@@H]1CCCNC1=O ZINC001378028148 888030273 /nfs/dbraw/zinc/03/02/73/888030273.db2.gz REGLOULXKCTJQP-SDDRHHMPSA-N 1 2 294.355 -1.314 20 0 CAADLO CC(=O)NCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2[C@@H]1CCCNC1=O ZINC001378028148 888030281 /nfs/dbraw/zinc/03/02/81/888030281.db2.gz REGLOULXKCTJQP-SDDRHHMPSA-N 1 2 294.355 -1.314 20 0 CAADLO CCn1cc(CC(=O)NCC2C[NH+](CC(N)=O)C2)cn1 ZINC001378013672 888030467 /nfs/dbraw/zinc/03/04/67/888030467.db2.gz CRWBDZUVOGXKSK-UHFFFAOYSA-N 1 2 279.344 -1.021 20 0 CAADLO C[C@H]1OCC[C@H]1C(=O)NCC1C[NH+](CC(=O)NC(N)=O)C1 ZINC001378005277 888030857 /nfs/dbraw/zinc/03/08/57/888030857.db2.gz KVKZQYFXEYWTLI-PSASIEDQSA-N 1 2 298.343 -1.346 20 0 CAADLO CCCNC(=O)C[NH+]1CC(CNC(=O)CCNC(N)=O)C1 ZINC001378016455 888030963 /nfs/dbraw/zinc/03/09/63/888030963.db2.gz QHNNDVOCTSMDMK-UHFFFAOYSA-N 1 2 299.375 -1.381 20 0 CAADLO C[C@H](C(N)=O)[NH+]1CC(CNC(=O)CCn2cnnn2)C1 ZINC001378004071 888031186 /nfs/dbraw/zinc/03/11/86/888031186.db2.gz HHSDWUAYICEKOC-MRVPVSSYSA-N 1 2 281.320 -2.015 20 0 CAADLO CC[C@@H](C(N)=O)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CNC(=O)OC ZINC001378025542 888031607 /nfs/dbraw/zinc/03/16/07/888031607.db2.gz NDVKNJFBSFOESO-GUBZILKMSA-N 1 2 298.343 -1.109 20 0 CAADLO CC[C@@H](C(N)=O)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CNC(=O)OC ZINC001378025542 888031617 /nfs/dbraw/zinc/03/16/17/888031617.db2.gz NDVKNJFBSFOESO-GUBZILKMSA-N 1 2 298.343 -1.109 20 0 CAADLO C[C@@H](C(N)=O)[NH+]1CC(CNC(=O)CCn2cnnn2)C1 ZINC001378004074 888032036 /nfs/dbraw/zinc/03/20/36/888032036.db2.gz HHSDWUAYICEKOC-QMMMGPOBSA-N 1 2 281.320 -2.015 20 0 CAADLO CC(=O)NC(C)(C)C(=O)NCC1C[NH+]([C@H]2CCNC2=O)C1 ZINC001378009542 888032079 /nfs/dbraw/zinc/03/20/79/888032079.db2.gz XHURAGTUGXGOFF-NSHDSACASA-N 1 2 296.371 -1.162 20 0 CAADLO CC(=O)N[C@@H](C)C(=O)N[C@@H]1CC[N@H+](CC(=O)NC2CC2)C1 ZINC001378099883 888032953 /nfs/dbraw/zinc/03/29/53/888032953.db2.gz LCHJPNTUTPOAGA-JOYOIKCWSA-N 1 2 296.371 -1.020 20 0 CAADLO CC(=O)N[C@@H](C)C(=O)N[C@@H]1CC[N@@H+](CC(=O)NC2CC2)C1 ZINC001378099883 888032966 /nfs/dbraw/zinc/03/29/66/888032966.db2.gz LCHJPNTUTPOAGA-JOYOIKCWSA-N 1 2 296.371 -1.020 20 0 CAADLO C[C@@H](CNC(=O)[C@@H]1CCC(=O)N1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001378075179 888034241 /nfs/dbraw/zinc/03/42/41/888034241.db2.gz WICIAQMXMPMHQW-WPRPVWTQSA-N 1 2 293.327 -1.148 20 0 CAADLO CCC(=O)N[C@H](C)C(=O)N[C@@H]1CC[N@H+](CC(=O)NC)C1 ZINC001378108816 888034347 /nfs/dbraw/zinc/03/43/47/888034347.db2.gz SQGMJCZRQMYZDT-NXEZZACHSA-N 1 2 284.360 -1.162 20 0 CAADLO CCC(=O)N[C@H](C)C(=O)N[C@@H]1CC[N@@H+](CC(=O)NC)C1 ZINC001378108816 888034359 /nfs/dbraw/zinc/03/43/59/888034359.db2.gz SQGMJCZRQMYZDT-NXEZZACHSA-N 1 2 284.360 -1.162 20 0 CAADLO Cc1nc[nH]c1C(=O)N[C@H]1CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001378088514 888035348 /nfs/dbraw/zinc/03/53/48/888035348.db2.gz IMGDGLSDWKWODP-QMMMGPOBSA-N 1 2 294.315 -1.283 20 0 CAADLO Cc1nc[nH]c1C(=O)N[C@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001378088514 888035367 /nfs/dbraw/zinc/03/53/67/888035367.db2.gz IMGDGLSDWKWODP-QMMMGPOBSA-N 1 2 294.315 -1.283 20 0 CAADLO CC(C)NC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2COC(=O)N2)C1 ZINC001378105172 888036191 /nfs/dbraw/zinc/03/61/91/888036191.db2.gz BJLRGKWROVSBMZ-ZJUUUORDSA-N 1 2 298.343 -1.190 20 0 CAADLO CC(C)NC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2COC(=O)N2)C1 ZINC001378105172 888036198 /nfs/dbraw/zinc/03/61/98/888036198.db2.gz BJLRGKWROVSBMZ-ZJUUUORDSA-N 1 2 298.343 -1.190 20 0 CAADLO CC(C)(O)CC(=O)N[C@@H]1CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001378105870 888036496 /nfs/dbraw/zinc/03/64/96/888036496.db2.gz JDSHQPSKJAMTHC-MRVPVSSYSA-N 1 2 286.332 -1.467 20 0 CAADLO CC(C)(O)CC(=O)N[C@@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001378105870 888036510 /nfs/dbraw/zinc/03/65/10/888036510.db2.gz JDSHQPSKJAMTHC-MRVPVSSYSA-N 1 2 286.332 -1.467 20 0 CAADLO CN(C(=O)c1ncc[nH]1)[C@H]1CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001378160234 888037960 /nfs/dbraw/zinc/03/79/60/888037960.db2.gz YTLVFLNUYIXFAK-QMMMGPOBSA-N 1 2 294.315 -1.249 20 0 CAADLO CN(C(=O)c1ncc[nH]1)[C@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001378160234 888037967 /nfs/dbraw/zinc/03/79/67/888037967.db2.gz YTLVFLNUYIXFAK-QMMMGPOBSA-N 1 2 294.315 -1.249 20 0 CAADLO CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC001378116733 888038737 /nfs/dbraw/zinc/03/87/37/888038737.db2.gz PLVWOLADEKYJSJ-ZJUUUORDSA-N 1 2 297.359 -1.663 20 0 CAADLO CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC001378116733 888038750 /nfs/dbraw/zinc/03/87/50/888038750.db2.gz PLVWOLADEKYJSJ-ZJUUUORDSA-N 1 2 297.359 -1.663 20 0 CAADLO CCN(C(=O)CN1CCOCC1)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001378185950 888044532 /nfs/dbraw/zinc/04/45/32/888044532.db2.gz CZBDEUVTMRMGCQ-LBPRGKRZSA-N 1 2 298.387 -1.273 20 0 CAADLO CCN(C(=O)CN1CCOCC1)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001378185950 888044546 /nfs/dbraw/zinc/04/45/46/888044546.db2.gz CZBDEUVTMRMGCQ-LBPRGKRZSA-N 1 2 298.387 -1.273 20 0 CAADLO CCN(C(=O)CNC(=O)C1CC1)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001378180462 888045107 /nfs/dbraw/zinc/04/51/07/888045107.db2.gz QIVMSCKRZKCEBM-LLVKDONJSA-N 1 2 296.371 -1.079 20 0 CAADLO CCN(C(=O)CNC(=O)C1CC1)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001378180462 888045116 /nfs/dbraw/zinc/04/51/16/888045116.db2.gz QIVMSCKRZKCEBM-LLVKDONJSA-N 1 2 296.371 -1.079 20 0 CAADLO CN(C(=O)c1cnon1)[C@H]1CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001378184932 888045266 /nfs/dbraw/zinc/04/52/66/888045266.db2.gz QDPBRTRPTNPMDO-ZETCQYMHSA-N 1 2 296.287 -1.589 20 0 CAADLO CN(C(=O)c1cnon1)[C@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001378184932 888045274 /nfs/dbraw/zinc/04/52/74/888045274.db2.gz QDPBRTRPTNPMDO-ZETCQYMHSA-N 1 2 296.287 -1.589 20 0 CAADLO CC[C@H](CNC(=O)CNC(C)=O)[NH2+]Cc1nnn(C)n1 ZINC001378208814 888046120 /nfs/dbraw/zinc/04/61/20/888046120.db2.gz BPSJFKJMLBEWGZ-SECBINFHSA-N 1 2 283.336 -1.669 20 0 CAADLO CCC(=O)NCC(=O)NC[C@H](CC)[NH2+]Cc1nnn(C)n1 ZINC001378248936 888047561 /nfs/dbraw/zinc/04/75/61/888047561.db2.gz NFHXEKUDNWVTCO-VIFPVBQESA-N 1 2 297.363 -1.279 20 0 CAADLO CC[C@H](CNC(=O)[C@H](C)CC(N)=O)[NH2+]Cc1nnn(C)n1 ZINC001378290419 888048459 /nfs/dbraw/zinc/04/84/59/888048459.db2.gz QJYDFIOYZMFXHQ-RKDXNWHRSA-N 1 2 297.363 -1.294 20 0 CAADLO O=C(NC1(CCO)C[NH+](CCCO)C1)[C@H]1CNC(=O)N1 ZINC001378328251 888051038 /nfs/dbraw/zinc/05/10/38/888051038.db2.gz QCJXNHHIBCOMQM-SECBINFHSA-N 1 2 286.332 -2.397 20 0 CAADLO CC[NH+]1CC(CCO)(NC(=O)[C@H](C)NS(C)(=O)=O)C1 ZINC001378332662 888051414 /nfs/dbraw/zinc/05/14/14/888051414.db2.gz UUZVMWAOZSYHKB-VIFPVBQESA-N 1 2 293.389 -1.503 20 0 CAADLO O=C(CN1CCCC1=O)NC1(CCO)C[NH+](CCCO)C1 ZINC001378249865 888049112 /nfs/dbraw/zinc/04/91/12/888049112.db2.gz PNAPNJILXATSNQ-UHFFFAOYSA-N 1 2 299.371 -1.456 20 0 CAADLO C[C@H](O)C[NH+]1CC(CCO)(NC(=O)c2cn(C)c(=O)[nH]2)C1 ZINC001378345130 888050476 /nfs/dbraw/zinc/05/04/76/888050476.db2.gz ZSDMDLVIFUDGIY-VIFPVBQESA-N 1 2 298.343 -1.327 20 0 CAADLO CC[NH+]1CC(CCO)(NC(=O)[C@@H](C)NS(C)(=O)=O)C1 ZINC001378332658 888050553 /nfs/dbraw/zinc/05/05/53/888050553.db2.gz UUZVMWAOZSYHKB-SECBINFHSA-N 1 2 293.389 -1.503 20 0 CAADLO NC(=O)[C@@H]1CC[C@@H]1C(=O)NC1(CCO)C[NH+](CCCO)C1 ZINC001378313866 888050895 /nfs/dbraw/zinc/05/08/95/888050895.db2.gz GLLSODZIHARGHN-MNOVXSKESA-N 1 2 299.371 -1.567 20 0 CAADLO NC(=O)CN1CC(CCO)(NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001378333797 888051657 /nfs/dbraw/zinc/05/16/57/888051657.db2.gz HQOWEIBRNBGBOB-UHFFFAOYSA-N 1 2 281.316 -2.010 20 0 CAADLO CO[C@@H](C)C[NH+]1CC(CCO)(NC(=O)Cn2cncn2)C1 ZINC001378354650 888052744 /nfs/dbraw/zinc/05/27/44/888052744.db2.gz KTPUHNPHDCGAOZ-NSHDSACASA-N 1 2 297.359 -1.134 20 0 CAADLO CNC(=O)C[NH+]1CC([C@@H](C)NC(=O)[C@H](C)NC(N)=O)C1 ZINC001378497897 888053885 /nfs/dbraw/zinc/05/38/85/888053885.db2.gz NFFKGEYWFHOHQP-SFYZADRCSA-N 1 2 285.348 -1.774 20 0 CAADLO CNC(=O)C[NH+]1CC([C@@H](C)NC(=O)CO[C@@H]2CCOC2)C1 ZINC001378516087 888055176 /nfs/dbraw/zinc/05/51/76/888055176.db2.gz RSGCQHUIQVRHMY-ZYHUDNBSSA-N 1 2 299.371 -1.026 20 0 CAADLO C[C@@H](NC(=O)c1ccon1)C1C[NH+](CC(=O)NC(N)=O)C1 ZINC001378497678 888056125 /nfs/dbraw/zinc/05/61/25/888056125.db2.gz WZHPOJHEBSXJQI-SSDOTTSWSA-N 1 2 295.299 -1.080 20 0 CAADLO COCC(=O)N[C@H](C)C1C[NH+](CC(=O)NC(N)=O)C1 ZINC001378478096 888057484 /nfs/dbraw/zinc/05/74/84/888057484.db2.gz QKTJQJOUGKBLCL-SSDOTTSWSA-N 1 2 272.305 -1.736 20 0 CAADLO C[C@H](NC(=O)CCc1cnn(C)n1)C1C[NH+](CC(N)=O)C1 ZINC001378542002 888058039 /nfs/dbraw/zinc/05/80/39/888058039.db2.gz QVEWCJIYIFSOJC-VIFPVBQESA-N 1 2 294.359 -1.331 20 0 CAADLO COC[C@@H](O)C[N@@H+]1CCO[C@@H](CNC(=O)c2cn[nH]c2)C1 ZINC001378644543 888061299 /nfs/dbraw/zinc/06/12/99/888061299.db2.gz NXHSSRBWGMKERS-RYUDHWBXSA-N 1 2 298.343 -1.152 20 0 CAADLO COC[C@@H](O)C[N@H+]1CCO[C@@H](CNC(=O)c2cn[nH]c2)C1 ZINC001378644543 888061313 /nfs/dbraw/zinc/06/13/13/888061313.db2.gz NXHSSRBWGMKERS-RYUDHWBXSA-N 1 2 298.343 -1.152 20 0 CAADLO COCC[N@@H+]1CCO[C@H](CNC(=O)C[C@@H]2CCNC2=O)C1 ZINC001378651730 888061703 /nfs/dbraw/zinc/06/17/03/888061703.db2.gz LTFVQHNQAKFHSG-NWDGAFQWSA-N 1 2 299.371 -1.024 20 0 CAADLO COCC[N@H+]1CCO[C@H](CNC(=O)C[C@@H]2CCNC2=O)C1 ZINC001378651730 888061713 /nfs/dbraw/zinc/06/17/13/888061713.db2.gz LTFVQHNQAKFHSG-NWDGAFQWSA-N 1 2 299.371 -1.024 20 0 CAADLO CNC(=O)C[NH+]1CC([C@H](C)NC(=O)Cn2cncn2)C1 ZINC001378584207 888061799 /nfs/dbraw/zinc/06/17/99/888061799.db2.gz CTMFCTOTJGXQET-VIFPVBQESA-N 1 2 280.332 -1.539 20 0 CAADLO COCC[N@@H+]1CCO[C@H](CNC(=O)C[C@H]2CCNC2=O)C1 ZINC001378651752 888063171 /nfs/dbraw/zinc/06/31/71/888063171.db2.gz LTFVQHNQAKFHSG-VXGBXAGGSA-N 1 2 299.371 -1.024 20 0 CAADLO COCC[N@H+]1CCO[C@H](CNC(=O)C[C@H]2CCNC2=O)C1 ZINC001378651752 888063180 /nfs/dbraw/zinc/06/31/80/888063180.db2.gz LTFVQHNQAKFHSG-VXGBXAGGSA-N 1 2 299.371 -1.024 20 0 CAADLO COC[C@@H](O)C[N@@H+]1CCO[C@H](CNC(=O)c2cn[nH]c2)C1 ZINC001378644541 888063423 /nfs/dbraw/zinc/06/34/23/888063423.db2.gz NXHSSRBWGMKERS-NWDGAFQWSA-N 1 2 298.343 -1.152 20 0 CAADLO COC[C@@H](O)C[N@H+]1CCO[C@H](CNC(=O)c2cn[nH]c2)C1 ZINC001378644541 888063438 /nfs/dbraw/zinc/06/34/38/888063438.db2.gz NXHSSRBWGMKERS-NWDGAFQWSA-N 1 2 298.343 -1.152 20 0 CAADLO CCOCC(=O)NC[C@@H]1C[N@H+](C[C@H](O)COC)CCO1 ZINC001378640851 888063592 /nfs/dbraw/zinc/06/35/92/888063592.db2.gz SUHDMNXLXMHAJW-NWDGAFQWSA-N 1 2 290.360 -1.153 20 0 CAADLO CCOCC(=O)NC[C@@H]1C[N@@H+](C[C@H](O)COC)CCO1 ZINC001378640851 888063606 /nfs/dbraw/zinc/06/36/06/888063606.db2.gz SUHDMNXLXMHAJW-NWDGAFQWSA-N 1 2 290.360 -1.153 20 0 CAADLO COCC[N@@H+]1CCO[C@@H](CNC(=O)C[C@H]2CCNC2=O)C1 ZINC001378651718 888064508 /nfs/dbraw/zinc/06/45/08/888064508.db2.gz LTFVQHNQAKFHSG-NEPJUHHUSA-N 1 2 299.371 -1.024 20 0 CAADLO COCC[N@H+]1CCO[C@@H](CNC(=O)C[C@H]2CCNC2=O)C1 ZINC001378651718 888064522 /nfs/dbraw/zinc/06/45/22/888064522.db2.gz LTFVQHNQAKFHSG-NEPJUHHUSA-N 1 2 299.371 -1.024 20 0 CAADLO O=C(C[C@H]1CCC(=O)N1)NC[C@H]1C[N@H+](CCO)CCO1 ZINC001378671020 888065156 /nfs/dbraw/zinc/06/51/56/888065156.db2.gz LUMSFSDCSQARGY-MNOVXSKESA-N 1 2 285.344 -1.536 20 0 CAADLO O=C(C[C@H]1CCC(=O)N1)NC[C@H]1C[N@@H+](CCO)CCO1 ZINC001378671020 888065170 /nfs/dbraw/zinc/06/51/70/888065170.db2.gz LUMSFSDCSQARGY-MNOVXSKESA-N 1 2 285.344 -1.536 20 0 CAADLO COC[C@@H](OC)C(=O)N[C@H]1C[N@H+](CC(N)=O)CC1(C)C ZINC001378652934 888066039 /nfs/dbraw/zinc/06/60/39/888066039.db2.gz MRPIANMSAPQCBZ-ZJUUUORDSA-N 1 2 287.360 -1.040 20 0 CAADLO COC[C@@H](OC)C(=O)N[C@H]1C[N@@H+](CC(N)=O)CC1(C)C ZINC001378652934 888066051 /nfs/dbraw/zinc/06/60/51/888066051.db2.gz MRPIANMSAPQCBZ-ZJUUUORDSA-N 1 2 287.360 -1.040 20 0 CAADLO CNS(=O)(=O)CC(=O)NC[C@@H]1C[N@H+](CCO)CCO1 ZINC001378673425 888066632 /nfs/dbraw/zinc/06/66/32/888066632.db2.gz UXRAJDFXSZTQFB-SECBINFHSA-N 1 2 295.361 -2.655 20 0 CAADLO CNS(=O)(=O)CC(=O)NC[C@@H]1C[N@@H+](CCO)CCO1 ZINC001378673425 888066649 /nfs/dbraw/zinc/06/66/49/888066649.db2.gz UXRAJDFXSZTQFB-SECBINFHSA-N 1 2 295.361 -2.655 20 0 CAADLO O=C(CCN1CCCC1=O)NC[C@H]1C[N@H+](CCO)CCO1 ZINC001378666215 888067125 /nfs/dbraw/zinc/06/71/25/888067125.db2.gz HGRHJKJEYLDEHH-LBPRGKRZSA-N 1 2 299.371 -1.192 20 0 CAADLO O=C(CCN1CCCC1=O)NC[C@H]1C[N@@H+](CCO)CCO1 ZINC001378666215 888067137 /nfs/dbraw/zinc/06/71/37/888067137.db2.gz HGRHJKJEYLDEHH-LBPRGKRZSA-N 1 2 299.371 -1.192 20 0 CAADLO CNC(=O)CN1CCO[C@@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001378665527 888067351 /nfs/dbraw/zinc/06/73/51/888067351.db2.gz DPVAITDMTRPHRC-NSHDSACASA-N 1 2 295.343 -1.554 20 0 CAADLO COC[C@H](OC)C(=O)N[C@@H]1C[N@H+](CC(N)=O)CC1(C)C ZINC001378652933 888067442 /nfs/dbraw/zinc/06/74/42/888067442.db2.gz MRPIANMSAPQCBZ-VHSXEESVSA-N 1 2 287.360 -1.040 20 0 CAADLO COC[C@H](OC)C(=O)N[C@@H]1C[N@@H+](CC(N)=O)CC1(C)C ZINC001378652933 888067448 /nfs/dbraw/zinc/06/74/48/888067448.db2.gz MRPIANMSAPQCBZ-VHSXEESVSA-N 1 2 287.360 -1.040 20 0 CAADLO CNS(=O)(=O)CC(=O)NC[C@H]1C[N@H+](CCO)CCO1 ZINC001378673432 888067526 /nfs/dbraw/zinc/06/75/26/888067526.db2.gz UXRAJDFXSZTQFB-VIFPVBQESA-N 1 2 295.361 -2.655 20 0 CAADLO CNS(=O)(=O)CC(=O)NC[C@H]1C[N@@H+](CCO)CCO1 ZINC001378673432 888067536 /nfs/dbraw/zinc/06/75/36/888067536.db2.gz UXRAJDFXSZTQFB-VIFPVBQESA-N 1 2 295.361 -2.655 20 0 CAADLO O=C(C[C@@H]1CCC(=O)N1)NC[C@H]1C[N@H+](CCO)CCO1 ZINC001378671023 888067659 /nfs/dbraw/zinc/06/76/59/888067659.db2.gz LUMSFSDCSQARGY-QWRGUYRKSA-N 1 2 285.344 -1.536 20 0 CAADLO O=C(C[C@@H]1CCC(=O)N1)NC[C@H]1C[N@@H+](CCO)CCO1 ZINC001378671023 888067674 /nfs/dbraw/zinc/06/76/74/888067674.db2.gz LUMSFSDCSQARGY-QWRGUYRKSA-N 1 2 285.344 -1.536 20 0 CAADLO CC(=O)NCC(=O)N1CCC2(C[NH+](CC(N)=O)C2)CC1 ZINC001378732951 888067712 /nfs/dbraw/zinc/06/77/12/888067712.db2.gz VNYTWXNLSSMOEH-UHFFFAOYSA-N 1 2 282.344 -1.468 20 0 CAADLO C[C@@H](C(N)=O)N1CCO[C@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001378684979 888068256 /nfs/dbraw/zinc/06/82/56/888068256.db2.gz LHLGZRSWUTXVCA-GXSJLCMTSA-N 1 2 295.343 -1.357 20 0 CAADLO CNC(=O)C[N@@H+](C)CCN(C)C(=O)[C@H]1C[C@@H]1C(=O)OC ZINC001379030610 888077004 /nfs/dbraw/zinc/07/70/04/888077004.db2.gz WQOAMUWRZLYUGZ-UWVGGRQHSA-N 1 2 285.344 -1.068 20 0 CAADLO CNC(=O)C[N@@H+](C)CCN(C)C(=O)[C@@H]1C[C@H]1C(=O)OC ZINC001379030605 888079260 /nfs/dbraw/zinc/07/92/60/888079260.db2.gz WQOAMUWRZLYUGZ-NXEZZACHSA-N 1 2 285.344 -1.068 20 0 CAADLO CNC(=O)C[N@H+](C)CCN(C)C(=O)[C@H]1C[C@@H]1C(=O)OC ZINC001379030610 888076992 /nfs/dbraw/zinc/07/69/92/888076992.db2.gz WQOAMUWRZLYUGZ-UWVGGRQHSA-N 1 2 285.344 -1.068 20 0 CAADLO CNC(=O)CCCC(=O)N(C)CC[N@H+](C)CC(N)=O ZINC001379045745 888077374 /nfs/dbraw/zinc/07/73/74/888077374.db2.gz ZOTJPRWPIUKXSL-UHFFFAOYSA-N 1 2 272.349 -1.222 20 0 CAADLO CNC(=O)CCCC(=O)N(C)CC[N@@H+](C)CC(N)=O ZINC001379045745 888077381 /nfs/dbraw/zinc/07/73/81/888077381.db2.gz ZOTJPRWPIUKXSL-UHFFFAOYSA-N 1 2 272.349 -1.222 20 0 CAADLO CN(CC[N@H+](C)CC(N)=O)C(=O)C[C@@H]1CCC(=O)NC1 ZINC001379054783 888077536 /nfs/dbraw/zinc/07/75/36/888077536.db2.gz YWXRJYYMJROBPC-JTQLQIEISA-N 1 2 284.360 -1.222 20 0 CAADLO CN(CC[N@@H+](C)CC(N)=O)C(=O)C[C@@H]1CCC(=O)NC1 ZINC001379054783 888077547 /nfs/dbraw/zinc/07/75/47/888077547.db2.gz YWXRJYYMJROBPC-JTQLQIEISA-N 1 2 284.360 -1.222 20 0 CAADLO CN(CC[N@H+](C)CC(N)=O)C(=O)[C@@H]1CC(=O)N(C)C1 ZINC001379054331 888078424 /nfs/dbraw/zinc/07/84/24/888078424.db2.gz ODZFTUUYVFBHBF-SECBINFHSA-N 1 2 270.333 -1.660 20 0 CAADLO CN(CC[N@@H+](C)CC(N)=O)C(=O)[C@@H]1CC(=O)N(C)C1 ZINC001379054331 888078440 /nfs/dbraw/zinc/07/84/40/888078440.db2.gz ODZFTUUYVFBHBF-SECBINFHSA-N 1 2 270.333 -1.660 20 0 CAADLO CNC(=O)C[N@H+](C)CCN(C)C(=O)[C@@H]1C[C@H]1C(=O)OC ZINC001379030605 888079245 /nfs/dbraw/zinc/07/92/45/888079245.db2.gz WQOAMUWRZLYUGZ-NXEZZACHSA-N 1 2 285.344 -1.068 20 0 CAADLO CN(CC[N@H+](C)CC(N)=O)C(=O)[C@H]1CC(=O)N(C)C1 ZINC001379054337 888080495 /nfs/dbraw/zinc/08/04/95/888080495.db2.gz ODZFTUUYVFBHBF-VIFPVBQESA-N 1 2 270.333 -1.660 20 0 CAADLO CN(CC[N@@H+](C)CC(N)=O)C(=O)[C@H]1CC(=O)N(C)C1 ZINC001379054337 888080513 /nfs/dbraw/zinc/08/05/13/888080513.db2.gz ODZFTUUYVFBHBF-VIFPVBQESA-N 1 2 270.333 -1.660 20 0 CAADLO CNC(=O)C[N@H+](C)CCN(C)C(=O)[C@H]1CCC(=O)N1C ZINC001379087774 888082107 /nfs/dbraw/zinc/08/21/07/888082107.db2.gz MCHSWAMHGMYFIW-SNVBAGLBSA-N 1 2 284.360 -1.257 20 0 CAADLO CNC(=O)C[N@@H+](C)CCN(C)C(=O)[C@H]1CCC(=O)N1C ZINC001379087774 888082113 /nfs/dbraw/zinc/08/21/13/888082113.db2.gz MCHSWAMHGMYFIW-SNVBAGLBSA-N 1 2 284.360 -1.257 20 0 CAADLO CN(CC[N@H+](C)CC(N)=O)C(=O)c1cnc2n[nH]nc2c1 ZINC001379067680 888083694 /nfs/dbraw/zinc/08/36/94/888083694.db2.gz TYSLKFHVXSPZDD-UHFFFAOYSA-N 1 2 291.315 -1.158 20 0 CAADLO CN(CC[N@@H+](C)CC(N)=O)C(=O)c1cnc2n[nH]nc2c1 ZINC001379067680 888083709 /nfs/dbraw/zinc/08/37/09/888083709.db2.gz TYSLKFHVXSPZDD-UHFFFAOYSA-N 1 2 291.315 -1.158 20 0 CAADLO CNC(=O)C[N@H+](C)CCN(C)C(=O)CS(=O)(=O)NC ZINC001379129950 888085878 /nfs/dbraw/zinc/08/58/78/888085878.db2.gz JLSXAFVSNSRNEF-UHFFFAOYSA-N 1 2 294.377 -2.328 20 0 CAADLO CNC(=O)C[N@@H+](C)CCN(C)C(=O)CS(=O)(=O)NC ZINC001379129950 888085890 /nfs/dbraw/zinc/08/58/90/888085890.db2.gz JLSXAFVSNSRNEF-UHFFFAOYSA-N 1 2 294.377 -2.328 20 0 CAADLO Cc1nnc(C[NH2+]C[C@@H](O)CNC(=O)c2ccnn2C)o1 ZINC001379171148 888093840 /nfs/dbraw/zinc/09/38/40/888093840.db2.gz TUGUHLKBQNHOCP-SECBINFHSA-N 1 2 294.315 -1.008 20 0 CAADLO Cn1cnnc1C[NH2+]C[C@@H](O)CNC(=O)c1cn[nH]n1 ZINC001379204675 888105395 /nfs/dbraw/zinc/10/53/95/888105395.db2.gz HIOKBZWAPJCGIB-SSDOTTSWSA-N 1 2 280.292 -2.186 20 0 CAADLO Cn1cnnc1C[NH2+]C[C@@H](O)CNC(=O)c1cnn[nH]1 ZINC001379204675 888105410 /nfs/dbraw/zinc/10/54/10/888105410.db2.gz HIOKBZWAPJCGIB-SSDOTTSWSA-N 1 2 280.292 -2.186 20 0 CAADLO Cc1cnc(C[NH2+]C[C@H](O)CNC(=O)c2cn[nH]n2)nc1 ZINC001379208892 888105853 /nfs/dbraw/zinc/10/58/53/888105853.db2.gz RMXVBYPWVIPKAR-VIFPVBQESA-N 1 2 291.315 -1.216 20 0 CAADLO Cc1nn[nH]c1C(=O)NC[C@@H](O)C[NH2+]Cc1csnn1 ZINC001379225390 888109314 /nfs/dbraw/zinc/10/93/14/888109314.db2.gz SVSFOUSMGWRXJO-QMMMGPOBSA-N 1 2 297.344 -1.155 20 0 CAADLO CCn1ccc(C[NH2+]C[C@H](O)CNC(=O)c2ncn[nH]2)n1 ZINC001379254847 888114913 /nfs/dbraw/zinc/11/49/13/888114913.db2.gz AXXMCPQEISGXHA-JTQLQIEISA-N 1 2 293.331 -1.098 20 0 CAADLO CCn1ccc(C[NH2+]C[C@H](O)CNC(=O)c2nc[nH]n2)n1 ZINC001379254847 888114919 /nfs/dbraw/zinc/11/49/19/888114919.db2.gz AXXMCPQEISGXHA-JTQLQIEISA-N 1 2 293.331 -1.098 20 0 CAADLO Cc1noc(C[NH2+]C[C@@H](O)CNC(=O)c2ccn(C)n2)n1 ZINC001379295424 888122830 /nfs/dbraw/zinc/12/28/30/888122830.db2.gz YRUXVQFSFVYCBA-SECBINFHSA-N 1 2 294.315 -1.008 20 0 CAADLO COCC(=O)NC[C@@H](CO)[NH2+]Cc1cc(OC)no1 ZINC001379337641 888124456 /nfs/dbraw/zinc/12/44/56/888124456.db2.gz WFYJVFIWJRTFRX-QMMMGPOBSA-N 1 2 273.289 -1.104 20 0 CAADLO Cn1nnnc1C[NH2+][C@@H](CO)CNC(=O)c1ccoc1 ZINC001379347762 888123977 /nfs/dbraw/zinc/12/39/77/888123977.db2.gz FYNXZDAKDZLQAY-SECBINFHSA-N 1 2 280.288 -1.316 20 0 CAADLO CC(C)C(=O)NC[C@H](CO)[NH2+][C@@H](C)c1nnnn1C ZINC001379350497 888124246 /nfs/dbraw/zinc/12/42/46/888124246.db2.gz NTBGHBCAVYMAEE-DTWKUNHWSA-N 1 2 270.337 -1.006 20 0 CAADLO Cn1cccc1C(=O)NC[C@H](CO)[NH2+]Cc1nnnn1C ZINC001379347089 888125358 /nfs/dbraw/zinc/12/53/58/888125358.db2.gz ACNHLWCSQQEIIU-SECBINFHSA-N 1 2 293.331 -1.571 20 0 CAADLO CC(=O)NCC(=O)NC[C@H](CO)[NH2+][C@@H](C)c1nncn1C ZINC001379346860 888125956 /nfs/dbraw/zinc/12/59/56/888125956.db2.gz DRWPTGPWORDCSB-WCBMZHEXSA-N 1 2 298.347 -1.921 20 0 CAADLO COC[C@@H](C)C(=O)NC[C@@H](CO)[NH2+]Cc1cnn(C)n1 ZINC001379359872 888127419 /nfs/dbraw/zinc/12/74/19/888127419.db2.gz GLMLGQCFJWVXAP-KOLCDFICSA-N 1 2 285.348 -1.336 20 0 CAADLO Cc1cc(C(=O)NC[C@H](CO)[NH2+]Cc2nnnn2C)on1 ZINC001379362384 888128558 /nfs/dbraw/zinc/12/85/58/888128558.db2.gz VASKJHMUTMSIQI-MRVPVSSYSA-N 1 2 295.303 -1.613 20 0 CAADLO Cc1cc(C(=O)NC[C@@H](CO)[NH2+]Cc2nnnn2C)on1 ZINC001379362392 888128951 /nfs/dbraw/zinc/12/89/51/888128951.db2.gz VASKJHMUTMSIQI-QMMMGPOBSA-N 1 2 295.303 -1.613 20 0 CAADLO CO[C@H](C)C(=O)NC[C@@H](CO)[NH2+]Cc1nnnn1C1CC1 ZINC001379365082 888130667 /nfs/dbraw/zinc/13/06/67/888130667.db2.gz RFXBVVBDDYGROX-BDAKNGLRSA-N 1 2 298.347 -1.390 20 0 CAADLO CCO[C@H](C)C(=O)NC[C@@H](CO)[NH2+]Cc1cnn(C)n1 ZINC001379372815 888130712 /nfs/dbraw/zinc/13/07/12/888130712.db2.gz YEAPHXDIBVYPSB-KOLCDFICSA-N 1 2 285.348 -1.193 20 0 CAADLO Cn1cnnc1C[NH2+][C@H](CO)CNC(=O)[C@H]1COCCO1 ZINC001379365052 888130747 /nfs/dbraw/zinc/13/07/47/888130747.db2.gz PRKCYPZBWSSVQI-VHSXEESVSA-N 1 2 299.331 -2.203 20 0 CAADLO Cn1nnnc1C[NH2+][C@H](CO)CNC(=O)Cc1cc[nH]n1 ZINC001379366151 888130990 /nfs/dbraw/zinc/13/09/90/888130990.db2.gz FKVAKZNGWTWQNH-VIFPVBQESA-N 1 2 294.319 -2.257 20 0 CAADLO CC[C@@H](OC)C(=O)NC[C@H](CO)[NH2+]Cc1cnn(C)n1 ZINC001379373718 888131193 /nfs/dbraw/zinc/13/11/93/888131193.db2.gz ZUURHLBROCCIRE-GHMZBOCLSA-N 1 2 285.348 -1.193 20 0 CAADLO Cn1cnnc1C[NH2+][C@H](CO)CNC(=O)[C@@H]1COCCO1 ZINC001379365045 888131720 /nfs/dbraw/zinc/13/17/20/888131720.db2.gz PRKCYPZBWSSVQI-UWVGGRQHSA-N 1 2 299.331 -2.203 20 0 CAADLO Cn1nccc1C(=O)NC[C@@H](CO)[NH2+]Cc1nnnn1C ZINC001379368824 888131872 /nfs/dbraw/zinc/13/18/72/888131872.db2.gz RWBNWCLXFIIOEX-QMMMGPOBSA-N 1 2 294.319 -2.176 20 0 CAADLO Cc1nnc(C[NH2+][C@@H](CO)CNC(=O)[C@@H]2CCOC2)[nH]1 ZINC001379365742 888132197 /nfs/dbraw/zinc/13/21/97/888132197.db2.gz OBNRKMYXYAANCE-NXEZZACHSA-N 1 2 283.332 -1.284 20 0 CAADLO CC[C@@H](OC)C(=O)NC[C@@H](CO)[NH2+]Cc1ncnn1C ZINC001379368724 888132212 /nfs/dbraw/zinc/13/22/12/888132212.db2.gz QZTFDVAMBBAKMV-VHSXEESVSA-N 1 2 285.348 -1.193 20 0 CAADLO Cc1ncoc1C(=O)NC[C@H](CO)[NH2+]Cc1nncn1C ZINC001379374410 888133331 /nfs/dbraw/zinc/13/33/31/888133331.db2.gz OCIZMTWWNKOCIE-SECBINFHSA-N 1 2 294.315 -1.008 20 0 CAADLO CC(C)[C@@H](O)C(=O)NC[C@H](CO)[NH2+]Cc1ncnn1C ZINC001379392002 888134403 /nfs/dbraw/zinc/13/44/03/888134403.db2.gz CFPLMOWGASDKKG-MWLCHTKSSA-N 1 2 285.348 -1.601 20 0 CAADLO Cn1cc(C[NH2+][C@@H](CO)CNC(=O)CC(C)(C)O)nn1 ZINC001379387083 888134631 /nfs/dbraw/zinc/13/46/31/888134631.db2.gz FQNHILNXQVRZDP-SNVBAGLBSA-N 1 2 285.348 -1.457 20 0 CAADLO CC[C@H](OC)C(=O)NC[C@@H](CO)[NH2+]Cc1cnn(C)n1 ZINC001379373727 888134943 /nfs/dbraw/zinc/13/49/43/888134943.db2.gz ZUURHLBROCCIRE-QWRGUYRKSA-N 1 2 285.348 -1.193 20 0 CAADLO Cn1cc(C[NH2+][C@H](CO)CNC(=O)CC(C)(C)O)nn1 ZINC001379387050 888135468 /nfs/dbraw/zinc/13/54/68/888135468.db2.gz FQNHILNXQVRZDP-JTQLQIEISA-N 1 2 285.348 -1.457 20 0 CAADLO C[C@@H]([NH2+][C@@H](CO)CNC(=O)c1ncc[nH]1)c1nnnn1C ZINC001379398033 888136445 /nfs/dbraw/zinc/13/64/45/888136445.db2.gz AJGPQXQUYOWAAZ-HTQZYQBOSA-N 1 2 294.319 -1.625 20 0 CAADLO Cc1nnc(C[NH2+][C@H](CO)CNC(=O)[C@]23C[C@H]2COC3)[nH]1 ZINC001379393233 888136768 /nfs/dbraw/zinc/13/67/68/888136768.db2.gz DFTKLMYBHVLKEV-KWBADKCTSA-N 1 2 295.343 -1.284 20 0 CAADLO Cn1[nH]c(C[NH2+][C@H](CO)CNC(=O)C2(C)CC2)nc1=O ZINC001379401485 888137449 /nfs/dbraw/zinc/13/74/49/888137449.db2.gz RAOSKRVZYPMRDY-QMMMGPOBSA-N 1 2 283.332 -1.525 20 0 CAADLO CCn1ncnc1C[NH2+][C@H](CO)CNC(=O)[C@H](O)C(C)C ZINC001379395861 888138361 /nfs/dbraw/zinc/13/83/61/888138361.db2.gz KNGRQJPGELNEGX-CMPLNLGQSA-N 1 2 299.375 -1.118 20 0 CAADLO O=C(NC[C@@H](CO)[NH2+]Cc1ccon1)[C@H]1CCC(=O)NC1 ZINC001379435002 888143642 /nfs/dbraw/zinc/14/36/42/888143642.db2.gz NRJYREXUAZJXSQ-ONGXEEELSA-N 1 2 296.327 -1.233 20 0 CAADLO Cn1ncc(C[NH2+][C@@H](CO)CNC(=O)c2cncn2C)n1 ZINC001379437915 888144042 /nfs/dbraw/zinc/14/40/42/888144042.db2.gz QURPAHAHSBSFJK-SNVBAGLBSA-N 1 2 293.331 -1.571 20 0 CAADLO Cn1ncc(C[NH2+][C@H](CO)CNC(=O)c2cncn2C)n1 ZINC001379437872 888144308 /nfs/dbraw/zinc/14/43/08/888144308.db2.gz QURPAHAHSBSFJK-JTQLQIEISA-N 1 2 293.331 -1.571 20 0 CAADLO Cc1nn[nH]c1C(=O)NC[C@@H](CO)[NH2+]Cc1nncn1C ZINC001379445598 888146487 /nfs/dbraw/zinc/14/64/87/888146487.db2.gz GHOBNPDVOQLSSQ-QMMMGPOBSA-N 1 2 294.319 -1.878 20 0 CAADLO Cc1nn[nH]c1C(=O)NC[C@H](CO)[NH2+]Cc1cn(C)nn1 ZINC001379446660 888146588 /nfs/dbraw/zinc/14/65/88/888146588.db2.gz HVBKBNLUCCCGCJ-SECBINFHSA-N 1 2 294.319 -1.878 20 0 CAADLO CNC(=O)C[NH2+][C@H](CO)CNC(=O)CCc1cnn[nH]1 ZINC001379473501 888148973 /nfs/dbraw/zinc/14/89/73/888148973.db2.gz BIYWWASWUJRWQK-VIFPVBQESA-N 1 2 284.320 -2.450 20 0 CAADLO Cn1ncnc1C[NH2+][C@H](CO)CNC(=O)c1ccnnc1 ZINC001379478204 888149596 /nfs/dbraw/zinc/14/95/96/888149596.db2.gz WHGNYCJIKVLZDO-JTQLQIEISA-N 1 2 291.315 -1.514 20 0 CAADLO Cn1cc(C[NH2+][C@@H](CO)CNC(=O)Cc2cnoc2)nn1 ZINC001379471156 888149689 /nfs/dbraw/zinc/14/96/89/888149689.db2.gz KOMLLHPCTDNLFJ-LLVKDONJSA-N 1 2 294.315 -1.388 20 0 CAADLO C[C@@H](CC(N)=O)C(=O)NC[C@@H](CO)[NH2+]Cc1nncn1C ZINC001379469645 888150404 /nfs/dbraw/zinc/15/04/04/888150404.db2.gz TVMIEFHTPPCUSN-IUCAKERBSA-N 1 2 298.347 -2.107 20 0 CAADLO Cn1ncc(C[NH2+][C@H](CO)CNC(=O)c2ccnnc2)n1 ZINC001379478860 888150518 /nfs/dbraw/zinc/15/05/18/888150518.db2.gz YOKZFPGFJNCPJL-NSHDSACASA-N 1 2 291.315 -1.514 20 0 CAADLO Cn1nnnc1C[NH2+][C@H](CO)CNC(=O)Cc1ccco1 ZINC001379498748 888152854 /nfs/dbraw/zinc/15/28/54/888152854.db2.gz SHBGNJROGZYWGH-VIFPVBQESA-N 1 2 294.315 -1.388 20 0 CAADLO Cn1nnnc1C[NH2+][C@@H](CO)CNC(=O)Cc1ccco1 ZINC001379498746 888154090 /nfs/dbraw/zinc/15/40/90/888154090.db2.gz SHBGNJROGZYWGH-SECBINFHSA-N 1 2 294.315 -1.388 20 0 CAADLO Cc1nn(C)cc1C[NH2+][C@H](CO)CNC(=O)c1ncn[nH]1 ZINC001379495621 888154295 /nfs/dbraw/zinc/15/42/95/888154295.db2.gz AGDVKCQLHHLPDX-JTQLQIEISA-N 1 2 293.331 -1.273 20 0 CAADLO Cc1nn(C)cc1C[NH2+][C@H](CO)CNC(=O)c1nc[nH]n1 ZINC001379495621 888154298 /nfs/dbraw/zinc/15/42/98/888154298.db2.gz AGDVKCQLHHLPDX-JTQLQIEISA-N 1 2 293.331 -1.273 20 0 CAADLO Cn1ncc(C(=O)NC[C@@H](CO)[NH2+]Cc2nncn2C)n1 ZINC001379493601 888154663 /nfs/dbraw/zinc/15/46/63/888154663.db2.gz AZWJZVJKPJEXNU-QMMMGPOBSA-N 1 2 294.319 -2.176 20 0 CAADLO Cc1cc(C[NH2+][C@@H](CO)CNC(=O)[C@@H]2CCC(=O)N2)no1 ZINC001379508545 888156703 /nfs/dbraw/zinc/15/67/03/888156703.db2.gz ZRQXORUVNBBMPN-MNOVXSKESA-N 1 2 296.327 -1.172 20 0 CAADLO Cn1cnnc1C[NH2+][C@H](CO)CNC(=O)[C@@H]1CCC(=O)N1 ZINC001379502512 888157471 /nfs/dbraw/zinc/15/74/71/888157471.db2.gz FYIGZWNVJVUDFG-IUCAKERBSA-N 1 2 296.331 -2.340 20 0 CAADLO Cc1nocc1C[NH2+][C@@H](CO)CNC(=O)Cc1nnc[nH]1 ZINC001379510744 888157637 /nfs/dbraw/zinc/15/76/37/888157637.db2.gz SVLJEJRNKCVNLA-SNVBAGLBSA-N 1 2 294.315 -1.089 20 0 CAADLO Cn1cnnc1C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCC(=O)N1 ZINC001379502506 888157687 /nfs/dbraw/zinc/15/76/87/888157687.db2.gz FYIGZWNVJVUDFG-BDAKNGLRSA-N 1 2 296.331 -2.340 20 0 CAADLO Cc1nocc1C[NH2+][C@H](CO)CNC(=O)Cc1nnc[nH]1 ZINC001379510737 888157928 /nfs/dbraw/zinc/15/79/28/888157928.db2.gz SVLJEJRNKCVNLA-JTQLQIEISA-N 1 2 294.315 -1.089 20 0 CAADLO Cc1nonc1C[NH2+][C@@H](CO)CNC(=O)Cn1cncn1 ZINC001379526847 888160297 /nfs/dbraw/zinc/16/02/97/888160297.db2.gz ONQIQCLROOPUHQ-SECBINFHSA-N 1 2 295.303 -1.764 20 0 CAADLO Cn1ncnc1C[NH2+][C@@H](CO)CNC(=O)Cc1nc[nH]n1 ZINC001379513788 888161182 /nfs/dbraw/zinc/16/11/82/888161182.db2.gz YCNIFISAVUCHKU-MRVPVSSYSA-N 1 2 294.319 -2.257 20 0 CAADLO CCc1nnc(C[NH2+]C[C@H](C)NC(=O)[C@@H]2CNC(=O)N2)o1 ZINC001379548856 888163764 /nfs/dbraw/zinc/16/37/64/888163764.db2.gz QMJCFCSIKRNPEN-YUMQZZPRSA-N 1 2 296.331 -1.092 20 0 CAADLO CNC(=O)NC(=O)C[N@H+](C)C[C@H](C)NC(=O)c1cn[nH]n1 ZINC001379699613 888170483 /nfs/dbraw/zinc/17/04/83/888170483.db2.gz COEOVLGIXDQYNW-ZETCQYMHSA-N 1 2 297.319 -1.690 20 0 CAADLO CNC(=O)NC(=O)C[N@@H+](C)C[C@H](C)NC(=O)c1cn[nH]n1 ZINC001379699613 888170489 /nfs/dbraw/zinc/17/04/89/888170489.db2.gz COEOVLGIXDQYNW-ZETCQYMHSA-N 1 2 297.319 -1.690 20 0 CAADLO CNC(=O)NC(=O)C[N@H+](C)C[C@H](C)NC(=O)c1cnn[nH]1 ZINC001379699613 888170494 /nfs/dbraw/zinc/17/04/94/888170494.db2.gz COEOVLGIXDQYNW-ZETCQYMHSA-N 1 2 297.319 -1.690 20 0 CAADLO CNC(=O)NC(=O)C[N@@H+](C)C[C@H](C)NC(=O)c1cnn[nH]1 ZINC001379699613 888170502 /nfs/dbraw/zinc/17/05/02/888170502.db2.gz COEOVLGIXDQYNW-ZETCQYMHSA-N 1 2 297.319 -1.690 20 0 CAADLO CNC(=O)C[N@H+](C)C[C@@H](C)NC(=O)CCc1cn[nH]n1 ZINC001379754389 888170968 /nfs/dbraw/zinc/17/09/68/888170968.db2.gz VPOGTAMLDJIJIU-SECBINFHSA-N 1 2 282.348 -1.080 20 0 CAADLO C[C@H](C[N@H+](C)Cc1cnnn1C)NC(=O)[C@H]1CNC(=O)N1 ZINC001379745858 888171827 /nfs/dbraw/zinc/17/18/27/888171827.db2.gz UOXSIHMNPJMLKC-PSASIEDQSA-N 1 2 295.347 -1.567 20 0 CAADLO C[C@H](C[N@@H+](C)Cc1cnnn1C)NC(=O)[C@H]1CNC(=O)N1 ZINC001379745858 888171831 /nfs/dbraw/zinc/17/18/31/888171831.db2.gz UOXSIHMNPJMLKC-PSASIEDQSA-N 1 2 295.347 -1.567 20 0 CAADLO CC[C@H]([NH2+]C[C@@H](O)CN(C)C(=O)Cc1ncn[nH]1)C(N)=O ZINC001379852351 888176079 /nfs/dbraw/zinc/17/60/79/888176079.db2.gz GMKPPBSKKDREEK-BDAKNGLRSA-N 1 2 298.347 -1.980 20 0 CAADLO CCc1cc(C(=O)N(C)C[C@H](O)C[N@H+](C)CC(N)=O)n[nH]1 ZINC001379910788 888180251 /nfs/dbraw/zinc/18/02/51/888180251.db2.gz NNRSLVBPLYFMFZ-SNVBAGLBSA-N 1 2 297.359 -1.178 20 0 CAADLO CCc1cc(C(=O)N(C)C[C@H](O)C[N@@H+](C)CC(N)=O)n[nH]1 ZINC001379910788 888180256 /nfs/dbraw/zinc/18/02/56/888180256.db2.gz NNRSLVBPLYFMFZ-SNVBAGLBSA-N 1 2 297.359 -1.178 20 0 CAADLO O=C(CCn1ccnn1)NC[C@@H]1CC[N@@H+]1[C@H]1CCNC1=O ZINC001379949341 888181801 /nfs/dbraw/zinc/18/18/01/888181801.db2.gz DVFIJFWGIKCZFX-QWRGUYRKSA-N 1 2 292.343 -1.253 20 0 CAADLO O=C(CCn1ccnn1)NC[C@@H]1CC[N@H+]1[C@H]1CCNC1=O ZINC001379949341 888181804 /nfs/dbraw/zinc/18/18/04/888181804.db2.gz DVFIJFWGIKCZFX-QWRGUYRKSA-N 1 2 292.343 -1.253 20 0 CAADLO CC(=O)NCC(=O)NC[C@H]1CC[N@H+]1CC(=O)N(C)C1CC1 ZINC001379940395 888181814 /nfs/dbraw/zinc/18/18/14/888181814.db2.gz QSIRTTNRIMOHTR-GFCCVEGCSA-N 1 2 296.371 -1.066 20 0 CAADLO CC(=O)NCC(=O)NC[C@H]1CC[N@@H+]1CC(=O)N(C)C1CC1 ZINC001379940395 888181818 /nfs/dbraw/zinc/18/18/18/888181818.db2.gz QSIRTTNRIMOHTR-GFCCVEGCSA-N 1 2 296.371 -1.066 20 0 CAADLO CNC(=O)NCC(=O)NC[C@H]1CC[N@@H+]1[C@H]1CCN(C)C1=O ZINC001379958241 888182970 /nfs/dbraw/zinc/18/29/70/888182970.db2.gz FCIUZBSLFLUXLL-ZJUUUORDSA-N 1 2 297.359 -1.663 20 0 CAADLO CNC(=O)NCC(=O)NC[C@H]1CC[N@H+]1[C@H]1CCN(C)C1=O ZINC001379958241 888182979 /nfs/dbraw/zinc/18/29/79/888182979.db2.gz FCIUZBSLFLUXLL-ZJUUUORDSA-N 1 2 297.359 -1.663 20 0 CAADLO CC(=O)NCC(=O)NC[C@H]1CC[N@@H+]1[C@@H]1CCCNC1=O ZINC001379937531 888183537 /nfs/dbraw/zinc/18/35/37/888183537.db2.gz LJVHXTVXRRLRDZ-GHMZBOCLSA-N 1 2 282.344 -1.408 20 0 CAADLO CC(=O)NCC(=O)NC[C@H]1CC[N@H+]1[C@@H]1CCCNC1=O ZINC001379937531 888183540 /nfs/dbraw/zinc/18/35/40/888183540.db2.gz LJVHXTVXRRLRDZ-GHMZBOCLSA-N 1 2 282.344 -1.408 20 0 CAADLO CNC(=O)NCC(=O)NC[C@@H]1CC[N@@H+]1[C@H]1CCN(C)C1=O ZINC001379958237 888184313 /nfs/dbraw/zinc/18/43/13/888184313.db2.gz FCIUZBSLFLUXLL-UWVGGRQHSA-N 1 2 297.359 -1.663 20 0 CAADLO CNC(=O)NCC(=O)NC[C@@H]1CC[N@H+]1[C@H]1CCN(C)C1=O ZINC001379958237 888184323 /nfs/dbraw/zinc/18/43/23/888184323.db2.gz FCIUZBSLFLUXLL-UWVGGRQHSA-N 1 2 297.359 -1.663 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CC[C@H]1CNC(=O)CN1CCCC1=O ZINC001379947375 888184475 /nfs/dbraw/zinc/18/44/75/888184475.db2.gz WZTPMONHDCZHJK-ZJUUUORDSA-N 1 2 282.344 -1.327 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CC[C@H]1CNC(=O)CN1CCCC1=O ZINC001379947375 888184482 /nfs/dbraw/zinc/18/44/82/888184482.db2.gz WZTPMONHDCZHJK-ZJUUUORDSA-N 1 2 282.344 -1.327 20 0 CAADLO CCN(C)C(=O)C[N@@H+]1CC[C@H]1CNC(=O)Cn1cnnn1 ZINC001379941316 888184716 /nfs/dbraw/zinc/18/47/16/888184716.db2.gz KRFOXJMZFAZUEW-JTQLQIEISA-N 1 2 295.347 -1.658 20 0 CAADLO CCN(C)C(=O)C[N@H+]1CC[C@H]1CNC(=O)Cn1cnnn1 ZINC001379941316 888184721 /nfs/dbraw/zinc/18/47/21/888184721.db2.gz KRFOXJMZFAZUEW-JTQLQIEISA-N 1 2 295.347 -1.658 20 0 CAADLO COC[C@H](O)C[N@@H+]1CC[C@@H]1CNC(=O)C1=NC(=O)N(C)C1 ZINC001380015671 888186075 /nfs/dbraw/zinc/18/60/75/888186075.db2.gz PQSHBZIWUWYSIE-NXEZZACHSA-N 1 2 298.343 -1.063 20 0 CAADLO COC[C@H](O)C[N@H+]1CC[C@@H]1CNC(=O)C1=NC(=O)N(C)C1 ZINC001380015671 888186085 /nfs/dbraw/zinc/18/60/85/888186085.db2.gz PQSHBZIWUWYSIE-NXEZZACHSA-N 1 2 298.343 -1.063 20 0 CAADLO Cn1ncnc1C[NH2+]C1(CNC(=O)Cn2cnnn2)CC1 ZINC001380048392 888186398 /nfs/dbraw/zinc/18/63/98/888186398.db2.gz DQICOHQQNAJUJA-UHFFFAOYSA-N 1 2 291.319 -1.760 20 0 CAADLO O=C(Cn1cncn1)NC[C@@H]1CC[N@@H+]1[C@H]1CCNC1=O ZINC001380034745 888186909 /nfs/dbraw/zinc/18/69/09/888186909.db2.gz GQZMNBSZLAMQPO-UWVGGRQHSA-N 1 2 278.316 -1.643 20 0 CAADLO O=C(Cn1cncn1)NC[C@@H]1CC[N@H+]1[C@H]1CCNC1=O ZINC001380034745 888186918 /nfs/dbraw/zinc/18/69/18/888186918.db2.gz GQZMNBSZLAMQPO-UWVGGRQHSA-N 1 2 278.316 -1.643 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CC[C@H]1CNC(=O)CN1CCNC(=O)C1 ZINC001380003658 888187155 /nfs/dbraw/zinc/18/71/55/888187155.db2.gz ZLIXACJNGDNQDZ-ZJUUUORDSA-N 1 2 297.359 -2.518 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CC[C@H]1CNC(=O)CN1CCNC(=O)C1 ZINC001380003658 888187160 /nfs/dbraw/zinc/18/71/60/888187160.db2.gz ZLIXACJNGDNQDZ-ZJUUUORDSA-N 1 2 297.359 -2.518 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CC[C@@H]1CNC(=O)CCn1cnnn1 ZINC001380018686 888187475 /nfs/dbraw/zinc/18/74/75/888187475.db2.gz IZHLZNDFBCPTRA-DTWKUNHWSA-N 1 2 281.320 -1.873 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CC[C@@H]1CNC(=O)CCn1cnnn1 ZINC001380018686 888187480 /nfs/dbraw/zinc/18/74/80/888187480.db2.gz IZHLZNDFBCPTRA-DTWKUNHWSA-N 1 2 281.320 -1.873 20 0 CAADLO O=C(CCn1cnnn1)NC[C@@H]1CC[N@@H+]1[C@H]1CCNC1=O ZINC001380026748 888187497 /nfs/dbraw/zinc/18/74/97/888187497.db2.gz ZFUOGUFWCOSUMC-UWVGGRQHSA-N 1 2 293.331 -1.858 20 0 CAADLO O=C(CCn1cnnn1)NC[C@@H]1CC[N@H+]1[C@H]1CCNC1=O ZINC001380026748 888187503 /nfs/dbraw/zinc/18/75/03/888187503.db2.gz ZFUOGUFWCOSUMC-UWVGGRQHSA-N 1 2 293.331 -1.858 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CC[C@H]1CNC(=O)CCn1cnnn1 ZINC001380018684 888188019 /nfs/dbraw/zinc/18/80/19/888188019.db2.gz IZHLZNDFBCPTRA-BDAKNGLRSA-N 1 2 281.320 -1.873 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CC[C@H]1CNC(=O)CCn1cnnn1 ZINC001380018684 888188043 /nfs/dbraw/zinc/18/80/43/888188043.db2.gz IZHLZNDFBCPTRA-BDAKNGLRSA-N 1 2 281.320 -1.873 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CC[C@@H]1CNC(=O)CN1CCNC(=O)C1 ZINC001380003650 888188736 /nfs/dbraw/zinc/18/87/36/888188736.db2.gz ZLIXACJNGDNQDZ-NXEZZACHSA-N 1 2 297.359 -2.518 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CC[C@@H]1CNC(=O)CN1CCNC(=O)C1 ZINC001380003650 888188741 /nfs/dbraw/zinc/18/87/41/888188741.db2.gz ZLIXACJNGDNQDZ-NXEZZACHSA-N 1 2 297.359 -2.518 20 0 CAADLO Cn1nnnc1C[NH2+]C1(CNC(=O)C2=COCCO2)CC1 ZINC001380055111 888190640 /nfs/dbraw/zinc/19/06/40/888190640.db2.gz VEPNRWRQAFOVHG-UHFFFAOYSA-N 1 2 294.315 -1.163 20 0 CAADLO Cn1nnnc1C[NH2+]C1(CNC(=O)[C@@H]2COC(=O)N2)CC1 ZINC001380086032 888191110 /nfs/dbraw/zinc/19/11/10/888191110.db2.gz PWRHBVYFCPUGPU-ZETCQYMHSA-N 1 2 295.303 -1.943 20 0 CAADLO Cn1ncc(C[NH2+]C2(CNC(=O)[C@H]3COCCO3)CC2)n1 ZINC001380063761 888192059 /nfs/dbraw/zinc/19/20/59/888192059.db2.gz XRCIKFMNCMNIPU-LLVKDONJSA-N 1 2 295.343 -1.031 20 0 CAADLO COCC[N@H+](CCNC(=O)[C@@H]1CCC(=O)N1)CC(N)=O ZINC001380113508 888193312 /nfs/dbraw/zinc/19/33/12/888193312.db2.gz GJLBNQWJVXRIKH-VIFPVBQESA-N 1 2 286.332 -2.185 20 0 CAADLO COCC[N@@H+](CCNC(=O)[C@@H]1CCC(=O)N1)CC(N)=O ZINC001380113508 888193318 /nfs/dbraw/zinc/19/33/18/888193318.db2.gz GJLBNQWJVXRIKH-VIFPVBQESA-N 1 2 286.332 -2.185 20 0 CAADLO COCC[N@H+](CCNC(=O)c1ccn(C)n1)[C@@H](C)C(N)=O ZINC001380111974 888193449 /nfs/dbraw/zinc/19/34/49/888193449.db2.gz CKXQGSSSIZEOOW-JTQLQIEISA-N 1 2 297.359 -1.028 20 0 CAADLO COCC[N@@H+](CCNC(=O)c1ccn(C)n1)[C@@H](C)C(N)=O ZINC001380111974 888193460 /nfs/dbraw/zinc/19/34/60/888193460.db2.gz CKXQGSSSIZEOOW-JTQLQIEISA-N 1 2 297.359 -1.028 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+](CCNC(=O)c1cnon1)CCOC ZINC001380113762 888194091 /nfs/dbraw/zinc/19/40/91/888194091.db2.gz TXAIWBVDAPWDDY-SECBINFHSA-N 1 2 299.331 -1.118 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+](CCNC(=O)c1cnon1)CCOC ZINC001380113762 888194100 /nfs/dbraw/zinc/19/41/00/888194100.db2.gz TXAIWBVDAPWDDY-SECBINFHSA-N 1 2 299.331 -1.118 20 0 CAADLO CNC(=O)C[N@H+](CCNC(=O)c1cnn(C)n1)CCOC ZINC001380112383 888194244 /nfs/dbraw/zinc/19/42/44/888194244.db2.gz PCPLXJJCVIRGDV-UHFFFAOYSA-N 1 2 298.347 -1.761 20 0 CAADLO CNC(=O)C[N@@H+](CCNC(=O)c1cnn(C)n1)CCOC ZINC001380112383 888194250 /nfs/dbraw/zinc/19/42/50/888194250.db2.gz PCPLXJJCVIRGDV-UHFFFAOYSA-N 1 2 298.347 -1.761 20 0 CAADLO COCC[N@H+](CCNC(=O)c1cn(C)cn1)[C@@H](C)C(N)=O ZINC001380106646 888194654 /nfs/dbraw/zinc/19/46/54/888194654.db2.gz YHAXRWHFEXMMKS-JTQLQIEISA-N 1 2 297.359 -1.028 20 0 CAADLO COCC[N@@H+](CCNC(=O)c1cn(C)cn1)[C@@H](C)C(N)=O ZINC001380106646 888194662 /nfs/dbraw/zinc/19/46/62/888194662.db2.gz YHAXRWHFEXMMKS-JTQLQIEISA-N 1 2 297.359 -1.028 20 0 CAADLO COCC[N@H+](CCNC(=O)c1ccn(C)n1)[C@H](C)C(N)=O ZINC001380111979 888195537 /nfs/dbraw/zinc/19/55/37/888195537.db2.gz CKXQGSSSIZEOOW-SNVBAGLBSA-N 1 2 297.359 -1.028 20 0 CAADLO COCC[N@@H+](CCNC(=O)c1ccn(C)n1)[C@H](C)C(N)=O ZINC001380111979 888195542 /nfs/dbraw/zinc/19/55/42/888195542.db2.gz CKXQGSSSIZEOOW-SNVBAGLBSA-N 1 2 297.359 -1.028 20 0 CAADLO CCC(=O)NCC(=O)N(C)C1C[NH+](CCn2cncn2)C1 ZINC001380219225 888197947 /nfs/dbraw/zinc/19/79/47/888197947.db2.gz DYCAYWGIHWDUOC-UHFFFAOYSA-N 1 2 294.359 -1.053 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(N(C)C(=O)c2cnn(C)n2)C1 ZINC001380242650 888197968 /nfs/dbraw/zinc/19/79/68/888197968.db2.gz LCBPQPJQDFFKKL-JTQLQIEISA-N 1 2 283.332 -1.421 20 0 CAADLO CC[C@H](C[NH+]1CC(O)(CNC(=O)Cn2cnnn2)C1)OC ZINC001380568968 888208115 /nfs/dbraw/zinc/20/81/15/888208115.db2.gz GAQSZZMINQQZBP-SNVBAGLBSA-N 1 2 298.347 -1.739 20 0 CAADLO COC[C@H](O)C[NH+]1CC(O)(CNC(=O)[C@@H](C)SC)C1 ZINC001380568996 888210102 /nfs/dbraw/zinc/21/01/02/888210102.db2.gz HGUUGQKLJADZCX-NXEZZACHSA-N 1 2 292.401 -1.092 20 0 CAADLO C[C@@H](C(=O)NCC1(O)C[NH+](CCCO)C1)n1cccn1 ZINC001380569175 888210171 /nfs/dbraw/zinc/21/01/71/888210171.db2.gz IUUBSZYOTLZOLP-NSHDSACASA-N 1 2 282.344 -1.011 20 0 CAADLO CCO[C@@H](C)C(=O)NCC1(O)C[NH+](C[C@H](O)COC)C1 ZINC001380571737 888214593 /nfs/dbraw/zinc/21/45/93/888214593.db2.gz PJGZLTTWJYNZBD-QWRGUYRKSA-N 1 2 290.360 -1.418 20 0 CAADLO C[C@H](C(=O)NCC1(O)C[NH+](CCCO)C1)n1cccn1 ZINC001380569174 888211948 /nfs/dbraw/zinc/21/19/48/888211948.db2.gz IUUBSZYOTLZOLP-LLVKDONJSA-N 1 2 282.344 -1.011 20 0 CAADLO O=C(CO[C@H]1CCOC1)NCC1(O)C[NH+](CCCO)C1 ZINC001380597589 888216289 /nfs/dbraw/zinc/21/62/89/888216289.db2.gz UKVGVYVSRHWPAA-NSHDSACASA-N 1 2 288.344 -1.663 20 0 CAADLO CCO[C@H](C)C(=O)NCC1(O)C[NH+](C[C@H](O)COC)C1 ZINC001380571732 888212579 /nfs/dbraw/zinc/21/25/79/888212579.db2.gz PJGZLTTWJYNZBD-MNOVXSKESA-N 1 2 290.360 -1.418 20 0 CAADLO Cc1c(C(=O)NCC2(O)C[NH+](CCCO)C2)nnn1C ZINC001380576752 888212781 /nfs/dbraw/zinc/21/27/81/888212781.db2.gz FYDBSXAYAQJFJE-UHFFFAOYSA-N 1 2 283.332 -1.718 20 0 CAADLO Cc1c(C(=O)NCC2(O)C[NH+](C[C@H](C)O)C2)cnn1C ZINC001380574960 888213110 /nfs/dbraw/zinc/21/31/10/888213110.db2.gz BNTZWQIITUTCIF-VIFPVBQESA-N 1 2 282.344 -1.114 20 0 CAADLO C[C@@H](O)C[NH+]1CC(O)(CNC(=O)C2CCOCC2)C1 ZINC001380576040 888213485 /nfs/dbraw/zinc/21/34/85/888213485.db2.gz WAJDRDBKOXVGKH-SNVBAGLBSA-N 1 2 272.345 -1.043 20 0 CAADLO COC[C@H](O)C[NH+]1CC(O)(CNC(=O)CC2CC2)C1 ZINC001380576078 888213667 /nfs/dbraw/zinc/21/36/67/888213667.db2.gz WMOXUQYKBWZWOR-LLVKDONJSA-N 1 2 272.345 -1.043 20 0 CAADLO COCC(=O)NCC1(O)C[NH+](C[C@H](O)Cn2cccn2)C1 ZINC001380578871 888213904 /nfs/dbraw/zinc/21/39/04/888213904.db2.gz YOQPSSGHZSSHMI-NSHDSACASA-N 1 2 298.343 -1.947 20 0 CAADLO COC[C@H](O)C[NH+]1CC(O)(CNC(=O)c2cc(C)on2)C1 ZINC001380572576 888214563 /nfs/dbraw/zinc/21/45/63/888214563.db2.gz VFOYVULFUQYULS-SNVBAGLBSA-N 1 2 299.327 -1.233 20 0 CAADLO C[C@@H](O)C[NH+]1CC(O)(CNC(=O)CO[C@H]2CCOC2)C1 ZINC001380595520 888216674 /nfs/dbraw/zinc/21/66/74/888216674.db2.gz AATDHWBWLOHDKE-MNOVXSKESA-N 1 2 288.344 -1.664 20 0 CAADLO O=C(CC1(O)CCC1)NCC1(O)C[NH+](CCCO)C1 ZINC001380596165 888216113 /nfs/dbraw/zinc/21/61/13/888216113.db2.gz HKQNJKNTFAYEGZ-UHFFFAOYSA-N 1 2 272.345 -1.163 20 0 CAADLO CN1C[C@@H](C(=O)NCC2(O)C[NH+](CCCO)C2)CC1=O ZINC001380596522 888216468 /nfs/dbraw/zinc/21/64/68/888216468.db2.gz AHUVNHPSZOAIAC-JTQLQIEISA-N 1 2 285.344 -1.990 20 0 CAADLO CCn1ccc(CC(=O)NCC2(O)C[NH+](CCCO)C2)n1 ZINC001380595212 888216619 /nfs/dbraw/zinc/21/66/19/888216619.db2.gz VXKWPSHBBHJMEO-UHFFFAOYSA-N 1 2 296.371 -1.009 20 0 CAADLO COC[C@H](C)[NH+]1CC(O)(CNC(=O)[C@H]2CCNC(=O)C2)C1 ZINC001380584295 888217305 /nfs/dbraw/zinc/21/73/05/888217305.db2.gz ZQZHDWDSCMLMNA-QWRGUYRKSA-N 1 2 299.371 -1.290 20 0 CAADLO CO[C@H](C)C[NH+]1CC(O)(CNC(=O)c2cnn(C)c2N)C1 ZINC001380588425 888217589 /nfs/dbraw/zinc/21/75/89/888217589.db2.gz LLNGMQFLEBVRGT-SECBINFHSA-N 1 2 297.359 -1.186 20 0 CAADLO CO[C@@H](C)C[NH+]1CC(O)(CNC(=O)c2cnn(C)c2N)C1 ZINC001380588426 888218103 /nfs/dbraw/zinc/21/81/03/888218103.db2.gz LLNGMQFLEBVRGT-VIFPVBQESA-N 1 2 297.359 -1.186 20 0 CAADLO O=C(NCC1(O)CN(CCO)C1)[C@@H]1CCn2c[nH+]cc2C1 ZINC001380596546 888218179 /nfs/dbraw/zinc/21/81/79/888218179.db2.gz CPRWJCCZZBLTRJ-LLVKDONJSA-N 1 2 294.355 -1.399 20 0 CAADLO O=C(NCC1(O)C[NH+](CCCO)C1)[C@]12C[C@H]1COC2 ZINC001380593441 888218249 /nfs/dbraw/zinc/21/82/49/888218249.db2.gz MZAXMDMSFUQJOP-GWCFXTLKSA-N 1 2 270.329 -1.432 20 0 CAADLO COC[C@@H](C)[NH+]1CC(O)(CNC(=O)[C@H]2CCNC(=O)C2)C1 ZINC001380584294 888218446 /nfs/dbraw/zinc/21/84/46/888218446.db2.gz ZQZHDWDSCMLMNA-MNOVXSKESA-N 1 2 299.371 -1.290 20 0 CAADLO COC[C@@H](C)[NH+]1CC(O)(CNC(=O)c2cnn(C)c2N)C1 ZINC001380586146 888218597 /nfs/dbraw/zinc/21/85/97/888218597.db2.gz AFDBIVOAZBMYBL-SECBINFHSA-N 1 2 297.359 -1.186 20 0 CAADLO CNC(=O)NCC(=O)NCC1(O)C[NH+]([C@@H](C)COC)C1 ZINC001380597119 888218941 /nfs/dbraw/zinc/21/89/41/888218941.db2.gz HCDCUXFHHZXDFQ-VIFPVBQESA-N 1 2 288.348 -1.887 20 0 CAADLO CO[C@H](C)C[NH+]1CC(O)(CNC(=O)c2cnc[nH]c2=O)C1 ZINC001380599026 888219561 /nfs/dbraw/zinc/21/95/61/888219561.db2.gz OBCGXZKWBQFCFA-SECBINFHSA-N 1 2 296.327 -1.006 20 0 CAADLO CC[C@@H](F)C(=O)NCC1(O)C[NH+](C[C@H](O)COC)C1 ZINC001380612727 888220164 /nfs/dbraw/zinc/22/01/64/888220164.db2.gz FRNGQKXMPOBQMT-VHSXEESVSA-N 1 2 278.324 -1.095 20 0 CAADLO C[C@@H]1CO[C@H](C(=O)NCC2(O)C[NH+](CCCO)C2)C1 ZINC001380607100 888220479 /nfs/dbraw/zinc/22/04/79/888220479.db2.gz OOPHXOWJDOHBII-QWRGUYRKSA-N 1 2 272.345 -1.043 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(O)(CNC(=O)c2conc2C)C1 ZINC001380624040 888221398 /nfs/dbraw/zinc/22/13/98/888221398.db2.gz INWRPKKIFKMBDS-JTQLQIEISA-N 1 2 299.327 -1.233 20 0 CAADLO C[C@@H](O)C[NH+]1CC(O)(CNC(=O)c2cnc3n2CCC3)C1 ZINC001380599380 888221431 /nfs/dbraw/zinc/22/14/31/888221431.db2.gz CMKOFIVTDMKZSE-SNVBAGLBSA-N 1 2 294.355 -1.013 20 0 CAADLO Cn1ccc(C(=O)NCC2(O)C[NH+](CCCO)C2)cc1=O ZINC001380600884 888221603 /nfs/dbraw/zinc/22/16/03/888221603.db2.gz OLDGAVXRSVHFJN-UHFFFAOYSA-N 1 2 295.339 -1.456 20 0 CAADLO O=C(CN1CCCCC1=O)NCC1(O)C[NH+](CCCO)C1 ZINC001380599246 888221940 /nfs/dbraw/zinc/22/19/40/888221940.db2.gz RVNFGAMRADDWPE-UHFFFAOYSA-N 1 2 299.371 -1.456 20 0 CAADLO CO[C@@H](C)C[NH+]1CC(O)(CNC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001380634395 888222758 /nfs/dbraw/zinc/22/27/58/888222758.db2.gz KTJVBDORBXMNCY-UWVGGRQHSA-N 1 2 285.344 -1.537 20 0 CAADLO CNS(=O)(=O)CC(=O)NCC1(O)C[NH+](C[C@H](C)O)C1 ZINC001380641039 888222996 /nfs/dbraw/zinc/22/29/96/888222996.db2.gz GPWXZZPPDGOGFE-QMMMGPOBSA-N 1 2 295.361 -2.921 20 0 CAADLO COC[C@H](O)C[NH+]1CC(O)(CNC(=O)[C@H]2CC23CC3)C1 ZINC001380627598 888223145 /nfs/dbraw/zinc/22/31/45/888223145.db2.gz QVTRQGRBTVPXPJ-GHMZBOCLSA-N 1 2 284.356 -1.043 20 0 CAADLO CC[NH+]1CC(O)(CNC(=O)CCn2cnccc2=O)C1 ZINC001380639379 888223605 /nfs/dbraw/zinc/22/36/05/888223605.db2.gz ZQMHRJXPJKIEQQ-UHFFFAOYSA-N 1 2 280.328 -1.184 20 0 CAADLO CCNC(=O)CN1CC(O)(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001380643622 888224763 /nfs/dbraw/zinc/22/47/63/888224763.db2.gz OJFGFAJEPVHONU-UHFFFAOYSA-N 1 2 295.343 -1.818 20 0 CAADLO O=C(NCC1(O)C[NH+](C[C@@H]2CCOC2)C1)c1nnc[nH]1 ZINC001380627373 888224788 /nfs/dbraw/zinc/22/47/88/888224788.db2.gz FBSKLCDBXQZEDL-VIFPVBQESA-N 1 2 281.316 -1.382 20 0 CAADLO O=C(NCC1(O)C[NH+](C[C@@H]2CCOC2)C1)c1ncn[nH]1 ZINC001380627373 888224800 /nfs/dbraw/zinc/22/48/00/888224800.db2.gz FBSKLCDBXQZEDL-VIFPVBQESA-N 1 2 281.316 -1.382 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@@](CO)(NC(=O)C[C@@H]2CCCO2)C1 ZINC001380738504 888226596 /nfs/dbraw/zinc/22/65/96/888226596.db2.gz XXMRJPHGOIYBMX-SMDDNHRTSA-N 1 2 299.371 -1.016 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@@](CO)(NC(=O)C[C@@H]2CCCO2)C1 ZINC001380738504 888226611 /nfs/dbraw/zinc/22/66/11/888226611.db2.gz XXMRJPHGOIYBMX-SMDDNHRTSA-N 1 2 299.371 -1.016 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@@](CO)(NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001380748997 888227803 /nfs/dbraw/zinc/22/78/03/888227803.db2.gz MYSHNKCYMWRUDL-QPUJVOFHSA-N 1 2 299.331 -2.904 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@@](CO)(NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001380748997 888227814 /nfs/dbraw/zinc/22/78/14/888227814.db2.gz MYSHNKCYMWRUDL-QPUJVOFHSA-N 1 2 299.331 -2.904 20 0 CAADLO CC[N@@H+]1CCOC[C@H]1CNC(=O)Cn1ncn(C)c1=O ZINC001380814749 888230595 /nfs/dbraw/zinc/23/05/95/888230595.db2.gz YVPVOSVUXPSPEN-SNVBAGLBSA-N 1 2 283.332 -1.581 20 0 CAADLO CC[N@H+]1CCOC[C@H]1CNC(=O)Cn1ncn(C)c1=O ZINC001380814749 888230608 /nfs/dbraw/zinc/23/06/08/888230608.db2.gz YVPVOSVUXPSPEN-SNVBAGLBSA-N 1 2 283.332 -1.581 20 0 CAADLO COC(=O)NCC(=O)NC[C@@H]1COCC[N@@H+]1C[C@@H](C)O ZINC001380818718 888233047 /nfs/dbraw/zinc/23/30/47/888233047.db2.gz VOEPUAUPUYSIMH-NXEZZACHSA-N 1 2 289.332 -1.460 20 0 CAADLO COC(=O)NCC(=O)NC[C@@H]1COCC[N@H+]1C[C@@H](C)O ZINC001380818718 888233061 /nfs/dbraw/zinc/23/30/61/888233061.db2.gz VOEPUAUPUYSIMH-NXEZZACHSA-N 1 2 289.332 -1.460 20 0 CAADLO CC(=O)N1CC[C@@H]([NH+]2CCN(CC(=O)NC(N)=O)CC2)C1 ZINC001380908823 888235792 /nfs/dbraw/zinc/23/57/92/888235792.db2.gz ASPYDIHELZUJBP-LLVKDONJSA-N 1 2 297.359 -1.580 20 0 CAADLO CC(=O)NCC(=O)NC[C@@H]1CCC2(C[NH+](CCO)C2)O1 ZINC001380994981 888239988 /nfs/dbraw/zinc/23/99/88/888239988.db2.gz NUGYNZGPRBMDSI-NSHDSACASA-N 1 2 285.344 -1.536 20 0 CAADLO CC(=O)NCC(=O)N1C[C@H]([NH2+]Cc2nnn(C)n2)[C@@H](C)C1 ZINC001381104198 888244600 /nfs/dbraw/zinc/24/46/00/888244600.db2.gz MQQIKXJBYDPBJW-WPRPVWTQSA-N 1 2 295.347 -1.717 20 0 CAADLO NC(=O)C[NH+]1CCC(CO)(NC(=O)[C@]23C[C@H]2COC3)CC1 ZINC001381245695 888246675 /nfs/dbraw/zinc/24/66/75/888246675.db2.gz HEJSZTWIPMFLIH-HZMBPMFUSA-N 1 2 297.355 -1.549 20 0 CAADLO Cn1ccc(C(=O)NC2(CO)CC[NH+](CC(N)=O)CC2)n1 ZINC001381269151 888249466 /nfs/dbraw/zinc/24/94/66/888249466.db2.gz UMYLNNFAOIFCND-UHFFFAOYSA-N 1 2 295.343 -1.538 20 0 CAADLO O=C(C[C@H]1CCCC(=O)N1)NC1(CCO)C[NH+](CCO)C1 ZINC001381650851 888260585 /nfs/dbraw/zinc/26/05/85/888260585.db2.gz CTBBWPJVSSPPPG-LLVKDONJSA-N 1 2 299.371 -1.410 20 0 CAADLO O=C(C[C@@H]1CCCC(=O)N1)NC1(CCO)C[NH+](CCO)C1 ZINC001381650852 888261120 /nfs/dbraw/zinc/26/11/20/888261120.db2.gz CTBBWPJVSSPPPG-NSHDSACASA-N 1 2 299.371 -1.410 20 0 CAADLO COCC[NH+]1CC(CCO)(NC(=O)C[C@H]2CCNC2=O)C1 ZINC001381667039 888261216 /nfs/dbraw/zinc/26/12/16/888261216.db2.gz YMXVFUYTIRNPRS-LLVKDONJSA-N 1 2 299.371 -1.288 20 0 CAADLO COCC[NH+]1CC(CCO)(NC(=O)Cc2nnc(C)[nH]2)C1 ZINC001381664150 888261483 /nfs/dbraw/zinc/26/14/83/888261483.db2.gz ZNAXDPUUHOJGAE-UHFFFAOYSA-N 1 2 297.359 -1.145 20 0 CAADLO C[C@H](O)C[NH+]1CC(CCO)(NC(=O)[C@H]2CCCC(=O)N2)C1 ZINC001381654595 888261562 /nfs/dbraw/zinc/26/15/62/888261562.db2.gz ALXRESAUOIKRRV-WDEREUQCSA-N 1 2 299.371 -1.411 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(CCO)(NC(=O)[C@H](C)OC)C1 ZINC001381641210 888261915 /nfs/dbraw/zinc/26/19/15/888261915.db2.gz DCPCUWBYSCSTKX-QWRGUYRKSA-N 1 2 290.360 -1.418 20 0 CAADLO O=C(NC1(CCO)C[NH+](CCCO)C1)[C@H]1CCCC(=O)N1 ZINC001381659543 888263287 /nfs/dbraw/zinc/26/32/87/888263287.db2.gz LCHPXOKSDSRNFM-LLVKDONJSA-N 1 2 299.371 -1.410 20 0 CAADLO CNC(=O)CN1CC(CCO)(NC(=O)Cn2cc[nH+]c2)C1 ZINC001381685322 888263883 /nfs/dbraw/zinc/26/38/83/888263883.db2.gz INZKRHVGFOYEKC-UHFFFAOYSA-N 1 2 295.343 -1.818 20 0 CAADLO CNC(=O)CCCC(=O)N[C@@H](C)C1C[NH+](CC(N)=O)C1 ZINC001381787033 888264843 /nfs/dbraw/zinc/26/48/43/888264843.db2.gz GLWFQJWMPMHZQE-VIFPVBQESA-N 1 2 284.360 -1.176 20 0 CAADLO C[C@H](NC(=O)CN1CCOCC1=O)C1C[NH+](CC(N)=O)C1 ZINC001381784171 888264971 /nfs/dbraw/zinc/26/49/71/888264971.db2.gz HSFMNZPYFKGCEU-VIFPVBQESA-N 1 2 298.343 -2.233 20 0 CAADLO CC(=O)N(C)CC(=O)N[C@@H](C)C1C[NH+](CC(N)=O)C1 ZINC001381780253 888265776 /nfs/dbraw/zinc/26/57/76/888265776.db2.gz GYTDAARSGAEQIH-QMMMGPOBSA-N 1 2 270.333 -1.614 20 0 CAADLO C[C@@H](NC(=O)C[C@H](C)NC(N)=O)C1C[NH+](CC(N)=O)C1 ZINC001381778000 888265812 /nfs/dbraw/zinc/26/58/12/888265812.db2.gz NGXKOCFURTWTEI-JGVFFNPUSA-N 1 2 285.348 -1.645 20 0 CAADLO C[C@H](NC(=O)C[C@@H]1CCCC(=O)N1)C1C[NH+](CC(N)=O)C1 ZINC001381796884 888265901 /nfs/dbraw/zinc/26/59/01/888265901.db2.gz BZQJLLHEGKZUEF-ONGXEEELSA-N 1 2 296.371 -1.033 20 0 CAADLO C[C@@H](NC(=O)Cc1nc[nH]n1)C1C[NH+]([C@H]2CCNC2=O)C1 ZINC001381808273 888266034 /nfs/dbraw/zinc/26/60/34/888266034.db2.gz IEHXKSJGSDGDEC-SCZZXKLOSA-N 1 2 292.343 -1.328 20 0 CAADLO CC(=O)N(C)CC(=O)N[C@H](C)C1C[NH+](CC(N)=O)C1 ZINC001381780252 888266731 /nfs/dbraw/zinc/26/67/31/888266731.db2.gz GYTDAARSGAEQIH-MRVPVSSYSA-N 1 2 270.333 -1.614 20 0 CAADLO C[C@H](NC(=O)C[C@@H]1COC(=O)C1)C1C[NH+](CC(N)=O)C1 ZINC001381783824 888266939 /nfs/dbraw/zinc/26/69/39/888266939.db2.gz GFIUMRPUJSQYKL-IUCAKERBSA-N 1 2 283.328 -1.139 20 0 CAADLO CNC(=O)NCCC(=O)N[C@@H](C)C1C[NH+](CC(N)=O)C1 ZINC001381770621 888267481 /nfs/dbraw/zinc/26/74/81/888267481.db2.gz AEBJMEDTZBUDCV-QMMMGPOBSA-N 1 2 285.348 -1.773 20 0 CAADLO Cn1cc(C(=O)NC2(CCO)C[NH+](CCO)C2)n(C)c1=O ZINC001381699268 888267596 /nfs/dbraw/zinc/26/75/96/888267596.db2.gz NNFRNKWLAIXVNV-UHFFFAOYSA-N 1 2 298.343 -2.117 20 0 CAADLO CNC(=O)C[NH+]1CC([C@H](C)NC(=O)[C@@H](C)CC(N)=O)C1 ZINC001381806094 888267999 /nfs/dbraw/zinc/26/79/99/888267999.db2.gz QEDRQWQPOQKMIB-IUCAKERBSA-N 1 2 284.360 -1.320 20 0 CAADLO C[C@@H](NC(=O)[C@@H]1CCCO1)C1C[NH+](CC(=O)NC(N)=O)C1 ZINC001381771973 888268443 /nfs/dbraw/zinc/26/84/43/888268443.db2.gz WQDHQFNICBCDCJ-SCZZXKLOSA-N 1 2 298.343 -1.203 20 0 CAADLO C[C@H](NC(=O)[C@@H]1CCOC1)C1C[NH+](CC(=O)NC(N)=O)C1 ZINC001381774963 888268751 /nfs/dbraw/zinc/26/87/51/888268751.db2.gz TVTSRZQPSXQZQA-DTWKUNHWSA-N 1 2 298.343 -1.346 20 0 CAADLO C[C@H](NC(=O)[C@H]1CCOC1)C1C[NH+](CC(=O)NC(N)=O)C1 ZINC001381774966 888268803 /nfs/dbraw/zinc/26/88/03/888268803.db2.gz TVTSRZQPSXQZQA-IUCAKERBSA-N 1 2 298.343 -1.346 20 0 CAADLO CC(=O)NCC(=O)N(C)C[C@@H](C)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001382044857 888276559 /nfs/dbraw/zinc/27/65/59/888276559.db2.gz VNUNJEVBHPHURQ-MRVPVSSYSA-N 1 2 298.347 -1.819 20 0 CAADLO CC(=O)N[C@@H](C)C(=O)NC[C@@H](CO)[NH2+]Cc1nonc1C ZINC001382169506 888279660 /nfs/dbraw/zinc/27/96/60/888279660.db2.gz CJHDSQOCWMLHAC-WPRPVWTQSA-N 1 2 299.331 -1.531 20 0 CAADLO CC(=O)NC[C@@H](CO)[NH2+]Cc1cn(C[C@H]2CCOC2)nn1 ZINC001382168560 888282277 /nfs/dbraw/zinc/28/22/77/888282277.db2.gz OWQDJYMHPOIYPU-YPMHNXCESA-N 1 2 297.359 -1.099 20 0 CAADLO CC[C@H](C)C(=O)NC[C@H](CO)[NH2+]Cc1nnnn1C ZINC001382179414 888284148 /nfs/dbraw/zinc/28/41/48/888284148.db2.gz QBWJKXCTKCKAMG-DTWKUNHWSA-N 1 2 270.337 -1.177 20 0 CAADLO CC[C@@H](C)C(=O)NC[C@H](CO)[NH2+]Cc1nnnn1C ZINC001382179430 888284350 /nfs/dbraw/zinc/28/43/50/888284350.db2.gz QBWJKXCTKCKAMG-RKDXNWHRSA-N 1 2 270.337 -1.177 20 0 CAADLO CCOCC(=O)NC[C@H](CO)[NH2+]Cc1ncnn1C ZINC001382178000 888286165 /nfs/dbraw/zinc/28/61/65/888286165.db2.gz RIQHFQFVHIBJFV-SECBINFHSA-N 1 2 271.321 -1.582 20 0 CAADLO CC[C@@H](OC)C(=O)NC[C@@H](CO)[NH2+]Cc1nnnn1C ZINC001382179428 888287024 /nfs/dbraw/zinc/28/70/24/888287024.db2.gz DIZOUQMNTOERNM-DTWKUNHWSA-N 1 2 286.336 -1.798 20 0 CAADLO O=C(NC[C@@H](CO)[NH2+]Cc1ccon1)[C@@H]1COC(=O)N1 ZINC001382186901 888288275 /nfs/dbraw/zinc/28/82/75/888288275.db2.gz GXCOFAAVXQEOHB-IUCAKERBSA-N 1 2 284.272 -1.650 20 0 CAADLO Cn1nnnc1C[NH2+][C@@H](CO)CNC(=O)C[C@H]1CCCO1 ZINC001382185455 888288567 /nfs/dbraw/zinc/28/85/67/888288567.db2.gz KGMPNSDGIGNQSQ-NXEZZACHSA-N 1 2 298.347 -1.654 20 0 CAADLO Cn1ncnc1C[NH2+][C@H](CO)CNC(=O)[C@@H]1COCCO1 ZINC001382185419 888289484 /nfs/dbraw/zinc/28/94/84/888289484.db2.gz KBLUHTBYXODLBM-UWVGGRQHSA-N 1 2 299.331 -2.203 20 0 CAADLO Cn1ncnc1C[NH2+][C@H](CO)CNC(=O)C[C@@H]1CCOC1 ZINC001382193763 888292637 /nfs/dbraw/zinc/29/26/37/888292637.db2.gz OALGZILSKKCERO-QWRGUYRKSA-N 1 2 297.359 -1.192 20 0 CAADLO Cn1ncnc1C[NH2+][C@@H](CO)CNC(=O)C[C@H]1CCOC1 ZINC001382193761 888292700 /nfs/dbraw/zinc/29/27/00/888292700.db2.gz OALGZILSKKCERO-GHMZBOCLSA-N 1 2 297.359 -1.192 20 0 CAADLO Cn1ncc(C[NH2+][C@H](CO)CNC(=O)CC(C)(C)O)n1 ZINC001382190953 888294078 /nfs/dbraw/zinc/29/40/78/888294078.db2.gz RLVHUKIUCBNWOT-JTQLQIEISA-N 1 2 285.348 -1.457 20 0 CAADLO CO[C@H](C)CC(=O)NC[C@@H](CO)[NH2+]Cc1cn(C)nn1 ZINC001382188380 888296164 /nfs/dbraw/zinc/29/61/64/888296164.db2.gz VEXYHJKUNMWJOV-KOLCDFICSA-N 1 2 285.348 -1.193 20 0 CAADLO Cn1ncnc1C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCCCO1 ZINC001382201994 888297866 /nfs/dbraw/zinc/29/78/66/888297866.db2.gz YCXUPGGZFKRCPE-MNOVXSKESA-N 1 2 297.359 -1.049 20 0 CAADLO Cn1ncnc1C[NH2+][C@H](CO)CNC(=O)[C@H]1CCCCO1 ZINC001382201996 888298108 /nfs/dbraw/zinc/29/81/08/888298108.db2.gz YCXUPGGZFKRCPE-WDEREUQCSA-N 1 2 297.359 -1.049 20 0 CAADLO Cc1nonc1C[NH2+][C@H](CO)CNC(=O)c1cn(C)nn1 ZINC001382203739 888299318 /nfs/dbraw/zinc/29/93/18/888299318.db2.gz PCKXBOGFPMCTCM-QMMMGPOBSA-N 1 2 295.303 -1.613 20 0 CAADLO Cn1cnnc1C[NH2+][C@@H](CO)CNC(=O)CC1(O)CCC1 ZINC001382201552 888299641 /nfs/dbraw/zinc/29/96/41/888299641.db2.gz ISVUNZHSZAQYTD-SNVBAGLBSA-N 1 2 297.359 -1.313 20 0 CAADLO Cn1ncnc1C[NH2+][C@H](CO)CNC(=O)[C@@H]1CCCCO1 ZINC001382201995 888300185 /nfs/dbraw/zinc/30/01/85/888300185.db2.gz YCXUPGGZFKRCPE-QWRGUYRKSA-N 1 2 297.359 -1.049 20 0 CAADLO Cn1cnc(C(=O)NC[C@@H](CO)[NH2+]Cc2ncnn2C)n1 ZINC001382211103 888302781 /nfs/dbraw/zinc/30/27/81/888302781.db2.gz ZSPADQFYTMULRV-QMMMGPOBSA-N 1 2 294.319 -2.176 20 0 CAADLO COC1CC(C(=O)NC[C@H](CO)[NH2+]Cc2nncn2C)C1 ZINC001382215569 888303721 /nfs/dbraw/zinc/30/37/21/888303721.db2.gz UIWBVGLEWJTIOD-HSOILSAZSA-N 1 2 297.359 -1.193 20 0 CAADLO Cn1nnnc1C[NH2+][C@@H](CO)CNC(=O)C1(C2CC2)CC1 ZINC001382215559 888305450 /nfs/dbraw/zinc/30/54/50/888305450.db2.gz UIOGVYNOVZKYEI-SNVBAGLBSA-N 1 2 294.359 -1.033 20 0 CAADLO Cn1cnc(C(=O)NC[C@H](CO)[NH2+]Cc2ncnn2C)n1 ZINC001382211095 888306410 /nfs/dbraw/zinc/30/64/10/888306410.db2.gz ZSPADQFYTMULRV-MRVPVSSYSA-N 1 2 294.319 -2.176 20 0 CAADLO Cc1nonc1C[NH2+][C@@H](CO)CNC(=O)c1cncn1C ZINC001382228021 888310000 /nfs/dbraw/zinc/31/00/00/888310000.db2.gz OTZKLASJIPNHKC-SECBINFHSA-N 1 2 294.315 -1.008 20 0 CAADLO Cc1n[nH]cc1C(=O)NC[C@H](CO)[NH2+]Cc1cnn(C)n1 ZINC001382244779 888312070 /nfs/dbraw/zinc/31/20/70/888312070.db2.gz LOCISZCWFSQXSB-SNVBAGLBSA-N 1 2 293.331 -1.273 20 0 CAADLO Cn1[nH]c(C[NH2+][C@@H](CO)CNC(=O)c2cnco2)nc1=O ZINC001382244778 888312126 /nfs/dbraw/zinc/31/21/26/888312126.db2.gz YSDFWZISIYGHSZ-SSDOTTSWSA-N 1 2 296.287 -2.023 20 0 CAADLO Cn1cc(C[NH2+][C@H](CO)CNC(=O)Cc2nnc[nH]2)cn1 ZINC001382254637 888314629 /nfs/dbraw/zinc/31/46/29/888314629.db2.gz HLOAESSYEXZTJD-JTQLQIEISA-N 1 2 293.331 -1.652 20 0 CAADLO Cc1n[nH]cc1C(=O)NC[C@@H](CO)[NH2+]Cc1cnn(C)n1 ZINC001382244774 888314678 /nfs/dbraw/zinc/31/46/78/888314678.db2.gz LOCISZCWFSQXSB-JTQLQIEISA-N 1 2 293.331 -1.273 20 0 CAADLO Cn1ncc(C[NH2+][C@@H](CO)CNC(=O)[C@H]2C[C@H]2C(N)=O)n1 ZINC001382248231 888315253 /nfs/dbraw/zinc/31/52/53/888315253.db2.gz KWZPRFZSFVHFBT-BBBLOLIVSA-N 1 2 296.331 -2.497 20 0 CAADLO Cn1cc(C[NH2+][C@@H](CO)CNC(=O)Cc2nnc[nH]2)cn1 ZINC001382254638 888315508 /nfs/dbraw/zinc/31/55/08/888315508.db2.gz HLOAESSYEXZTJD-SNVBAGLBSA-N 1 2 293.331 -1.652 20 0 CAADLO CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)C1=NC(=O)N(C)C1 ZINC001382258078 888320370 /nfs/dbraw/zinc/32/03/70/888320370.db2.gz UPEKJXHUUFYOKE-MRVPVSSYSA-N 1 2 299.331 -2.058 20 0 CAADLO NC(=O)C[NH2+][C@H](CO)CNC(=O)c1n[nH]c2ccccc21 ZINC001382286502 888327027 /nfs/dbraw/zinc/32/70/27/888327027.db2.gz PXWJDGPJPVRVGE-QMMMGPOBSA-N 1 2 291.311 -1.272 20 0 CAADLO CC(=O)NCC(=O)N1CC[C@H]([NH2+]Cc2nnn(C)n2)[C@@H]1C ZINC001382286157 888327215 /nfs/dbraw/zinc/32/72/15/888327215.db2.gz KMOHDUAEPKWMQE-WPRPVWTQSA-N 1 2 295.347 -1.575 20 0 CAADLO O=C(Cn1cc[nH+]c1)N[C@@H](CO)CNC(=O)c1cocn1 ZINC001382355118 888341152 /nfs/dbraw/zinc/34/11/52/888341152.db2.gz DQZBAYKDNNRIIT-SECBINFHSA-N 1 2 293.283 -1.222 20 0 CAADLO CCC(=O)N(C)C[C@@H](O)C[N@H+](C)Cc1nc(=O)n(C)[nH]1 ZINC001382434589 888355082 /nfs/dbraw/zinc/35/50/82/888355082.db2.gz XXCFRSACSMVQIK-VIFPVBQESA-N 1 2 285.348 -1.231 20 0 CAADLO CCC(=O)N(C)C[C@@H](O)C[N@@H+](C)Cc1nc(=O)n(C)[nH]1 ZINC001382434589 888355101 /nfs/dbraw/zinc/35/51/01/888355101.db2.gz XXCFRSACSMVQIK-VIFPVBQESA-N 1 2 285.348 -1.231 20 0 CAADLO Cc1nn[nH]c1C(=O)N(C)C[C@@H](O)C[N@@H+](C)[C@H](C)C(N)=O ZINC001382479724 888364850 /nfs/dbraw/zinc/36/48/50/888364850.db2.gz WDTJWFYNOROPBW-BDAKNGLRSA-N 1 2 298.347 -1.648 20 0 CAADLO Cc1nn[nH]c1C(=O)N(C)C[C@@H](O)C[N@H+](C)[C@H](C)C(N)=O ZINC001382479724 888364854 /nfs/dbraw/zinc/36/48/54/888364854.db2.gz WDTJWFYNOROPBW-BDAKNGLRSA-N 1 2 298.347 -1.648 20 0 CAADLO COCC[N@H+](CCNC(=O)C(F)F)CC(=O)NC(N)=O ZINC001382536865 888365249 /nfs/dbraw/zinc/36/52/49/888365249.db2.gz BICJENLQVRNEOG-UHFFFAOYSA-N 1 2 296.274 -1.489 20 0 CAADLO COCC[N@H+](CCNC(=O)c1cnc(C)cn1)CC(N)=O ZINC001382525839 888367264 /nfs/dbraw/zinc/36/72/64/888367264.db2.gz HCJYXTKJKFVIDH-UHFFFAOYSA-N 1 2 295.343 -1.051 20 0 CAADLO COCC[N@@H+](CCNC(=O)c1cnc(C)cn1)CC(N)=O ZINC001382525839 888367279 /nfs/dbraw/zinc/36/72/79/888367279.db2.gz HCJYXTKJKFVIDH-UHFFFAOYSA-N 1 2 295.343 -1.051 20 0 CAADLO O=C(Cn1cc[nH+]c1)NC[C@@H](CO)NC(=O)c1ccn[nH]1 ZINC001382500034 888368075 /nfs/dbraw/zinc/36/80/75/888368075.db2.gz TXXCPWUQZUJDGL-VIFPVBQESA-N 1 2 292.299 -1.487 20 0 CAADLO COCC[N@H+](CCNC(=O)[C@@H]1CCOC1)[C@H](C)C(N)=O ZINC001382545182 888370411 /nfs/dbraw/zinc/37/04/11/888370411.db2.gz RRMIOBVPLIQISM-GHMZBOCLSA-N 1 2 287.360 -1.039 20 0 CAADLO COCC[N@@H+](CCNC(=O)[C@@H]1CCOC1)[C@H](C)C(N)=O ZINC001382545182 888370425 /nfs/dbraw/zinc/37/04/25/888370425.db2.gz RRMIOBVPLIQISM-GHMZBOCLSA-N 1 2 287.360 -1.039 20 0 CAADLO CC(C)(O)CC(=O)N[C@H](CO)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001382577463 888371243 /nfs/dbraw/zinc/37/12/43/888371243.db2.gz IOQUTBNREHNYDS-VIFPVBQESA-N 1 2 298.343 -1.294 20 0 CAADLO COCC[N@H+](CCNC(=O)c1nonc1C)[C@H](C)C(N)=O ZINC001382552553 888371340 /nfs/dbraw/zinc/37/13/40/888371340.db2.gz BKFNLJMDRDYNQU-SECBINFHSA-N 1 2 299.331 -1.070 20 0 CAADLO COCC[N@@H+](CCNC(=O)c1nonc1C)[C@H](C)C(N)=O ZINC001382552553 888371352 /nfs/dbraw/zinc/37/13/52/888371352.db2.gz BKFNLJMDRDYNQU-SECBINFHSA-N 1 2 299.331 -1.070 20 0 CAADLO COCC[N@H+](CCNC(=O)c1ccc(=O)[nH]c1)CC(N)=O ZINC001382555524 888371549 /nfs/dbraw/zinc/37/15/49/888371549.db2.gz SNVLOTDBXWRCSD-UHFFFAOYSA-N 1 2 296.327 -1.049 20 0 CAADLO COCC[N@@H+](CCNC(=O)c1ccc(=O)[nH]c1)CC(N)=O ZINC001382555524 888371560 /nfs/dbraw/zinc/37/15/60/888371560.db2.gz SNVLOTDBXWRCSD-UHFFFAOYSA-N 1 2 296.327 -1.049 20 0 CAADLO CO[C@H](C)CC(=O)N[C@@H](CO)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001382659623 888378277 /nfs/dbraw/zinc/37/82/77/888378277.db2.gz QOOAMKQHIBVZNJ-MWLCHTKSSA-N 1 2 298.343 -1.030 20 0 CAADLO O=C(Cc1c[nH]c[nH+]1)NC[C@@H](CO)NC(=O)c1cn[nH]c1 ZINC001382647251 888378562 /nfs/dbraw/zinc/37/85/62/888378562.db2.gz GQVBCPWTRLEAAN-JTQLQIEISA-N 1 2 292.299 -1.418 20 0 CAADLO O=C(Cc1c[nH]c[nH+]1)NC[C@H](CO)NC(=O)c1cn[nH]c1 ZINC001382647257 888379158 /nfs/dbraw/zinc/37/91/58/888379158.db2.gz GQVBCPWTRLEAAN-SNVBAGLBSA-N 1 2 292.299 -1.418 20 0 CAADLO CO[C@@H](C)C(=O)N[C@@H](CO)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001382659600 888379361 /nfs/dbraw/zinc/37/93/61/888379361.db2.gz QJRPZWHCJTVLME-WCBMZHEXSA-N 1 2 284.316 -1.420 20 0 CAADLO CO[C@@H](C)C(=O)N(C)C[C@@H](O)CNC(=O)Cn1cc[nH+]c1 ZINC001382948681 888380739 /nfs/dbraw/zinc/38/07/39/888380739.db2.gz RFISLBXSDASKJS-QWRGUYRKSA-N 1 2 298.343 -1.147 20 0 CAADLO COCC(=O)N(C)C[C@H](O)CN(C)C(=O)Cn1cc[nH+]c1 ZINC001383107481 888387200 /nfs/dbraw/zinc/38/72/00/888387200.db2.gz XVKJKDZUUAMHFA-LLVKDONJSA-N 1 2 298.343 -1.193 20 0 CAADLO CCOCC(=O)NC[C@H](CO)NC(=O)Cc1c[nH+]cn1C ZINC001383859926 888397416 /nfs/dbraw/zinc/39/74/16/888397416.db2.gz FTAFLQOURKFYLC-SNVBAGLBSA-N 1 2 298.343 -1.408 20 0 CAADLO CO[C@H](C)C(=O)NC[C@@H](CO)NC(=O)CCc1[nH]cc[nH+]1 ZINC001383869029 888398550 /nfs/dbraw/zinc/39/85/50/888398550.db2.gz BOXNTCLZAMGUSS-ZJUUUORDSA-N 1 2 298.343 -1.030 20 0 CAADLO CO[C@@H](C)C(=O)NC[C@@H](CO)NC(=O)CCc1[nH]cc[nH+]1 ZINC001383869027 888399753 /nfs/dbraw/zinc/39/97/53/888399753.db2.gz BOXNTCLZAMGUSS-UWVGGRQHSA-N 1 2 298.343 -1.030 20 0 CAADLO CO[C@H](C)C(=O)NC[C@H](CO)NC(=O)CCc1c[nH]c[nH+]1 ZINC001383869109 888400359 /nfs/dbraw/zinc/40/03/59/888400359.db2.gz CNTQNYXGSZVNTE-MWLCHTKSSA-N 1 2 298.343 -1.030 20 0 CAADLO CO[C@H](C)C(=O)NC[C@H](CO)NC(=O)CCc1c[nH+]c[nH]1 ZINC001383869109 888400364 /nfs/dbraw/zinc/40/03/64/888400364.db2.gz CNTQNYXGSZVNTE-MWLCHTKSSA-N 1 2 298.343 -1.030 20 0 CAADLO O=C(Cn1cc[nH+]c1)N[C@@H](CO)CNC(=O)c1ccn[nH]1 ZINC001383883192 888403778 /nfs/dbraw/zinc/40/37/78/888403778.db2.gz ZAPLVRIBJKXYJH-SECBINFHSA-N 1 2 292.299 -1.487 20 0 CAADLO O=C(Cn1cc[nH+]c1)N[C@H](CO)CNC(=O)c1ncc[nH]1 ZINC001383910703 888405841 /nfs/dbraw/zinc/40/58/41/888405841.db2.gz HHZCPGHYWWHKRQ-VIFPVBQESA-N 1 2 292.299 -1.487 20 0 CAADLO O=C(Cc1[nH]cc[nH+]1)NC[C@@H](CO)NC(=O)c1cn[nH]c1 ZINC001384008664 888413940 /nfs/dbraw/zinc/41/39/40/888413940.db2.gz WXRBACVPHJYEIP-VIFPVBQESA-N 1 2 292.299 -1.418 20 0 CAADLO CO[C@@H](C)CC(=O)N[C@@H](CO)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001384002227 888414663 /nfs/dbraw/zinc/41/46/63/888414663.db2.gz AVFZYIICAWQOFJ-VHSXEESVSA-N 1 2 298.343 -1.030 20 0 CAADLO CO[C@H](C)CC(=O)N[C@@H](CO)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001384002223 888414853 /nfs/dbraw/zinc/41/48/53/888414853.db2.gz AVFZYIICAWQOFJ-NXEZZACHSA-N 1 2 298.343 -1.030 20 0 CAADLO CO[C@@H](C)C(=O)N[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1O ZINC001384211960 888421916 /nfs/dbraw/zinc/42/19/16/888421916.db2.gz NLRFRUWIWXGDKW-AEJSXWLSSA-N 1 2 296.327 -1.325 20 0 CAADLO COCC(=O)N(C)C[C@H](O)CN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001384268383 888426374 /nfs/dbraw/zinc/42/63/74/888426374.db2.gz AGHMXUPEIAMTHK-SNVBAGLBSA-N 1 2 298.343 -1.124 20 0 CAADLO COCC(=O)N[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1OC ZINC001384779248 888431354 /nfs/dbraw/zinc/43/13/54/888431354.db2.gz BINUVFWYTRMXEQ-GHMZBOCLSA-N 1 2 296.327 -1.129 20 0 CAADLO CC(=O)NCC(=O)N1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001385828793 888446418 /nfs/dbraw/zinc/44/64/18/888446418.db2.gz OQTOPHUICMWRKR-JTQLQIEISA-N 1 2 293.327 -1.195 20 0 CAADLO CC(=O)NCC(=O)NC[C@@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001386148620 888451194 /nfs/dbraw/zinc/45/11/94/888451194.db2.gz GJEBMWXGHJDDFP-MRVPVSSYSA-N 1 2 281.316 -1.291 20 0 CAADLO CC(=O)NCC(=O)NC[C@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001386148622 888452024 /nfs/dbraw/zinc/45/20/24/888452024.db2.gz GJEBMWXGHJDDFP-QMMMGPOBSA-N 1 2 281.316 -1.291 20 0 CAADLO C[C@@H](CNC(=O)Cn1cc[nH+]c1)NC(=O)Cn1ncnn1 ZINC001386339297 888459062 /nfs/dbraw/zinc/45/90/62/888459062.db2.gz RMBLKNIYQSHHQN-VIFPVBQESA-N 1 2 292.303 -1.809 20 0 CAADLO C[C@@H](CNC(=O)Cn1cc[nH+]c1)NC(=O)c1ncn(C)n1 ZINC001386341945 888459264 /nfs/dbraw/zinc/45/92/64/888459264.db2.gz YLWOMVQKHURUPT-VIFPVBQESA-N 1 2 291.315 -1.054 20 0 CAADLO C[C@H](CNC(=O)Cn1cc[nH+]c1)NC(=O)c1cnnn1C ZINC001386337625 888460003 /nfs/dbraw/zinc/46/00/03/888460003.db2.gz MNSPYBFLSARYHW-SECBINFHSA-N 1 2 291.315 -1.054 20 0 CAADLO C[C@H](CNC(=O)Cn1cc[nH+]c1)NC(=O)Cn1ncnn1 ZINC001386339294 888460192 /nfs/dbraw/zinc/46/01/92/888460192.db2.gz RMBLKNIYQSHHQN-SECBINFHSA-N 1 2 292.303 -1.809 20 0 CAADLO C[C@H](CNC(=O)Cc1[nH]cc[nH+]1)NC(=O)[C@H]1COC(=O)N1 ZINC001386443943 888462897 /nfs/dbraw/zinc/46/28/97/888462897.db2.gz PEMMRBBPMXRVGI-HTQZYQBOSA-N 1 2 295.299 -1.319 20 0 CAADLO COC(=O)NCC(=O)N[C@@H](C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001386515866 888463218 /nfs/dbraw/zinc/46/32/18/888463218.db2.gz ZFUFIHIQYSDPRF-QMMMGPOBSA-N 1 2 297.315 -1.071 20 0 CAADLO C[C@H](CNC(=O)Cc1[nH]cc[nH+]1)NC(=O)[C@@H]1COC(=O)N1 ZINC001386443958 888463651 /nfs/dbraw/zinc/46/36/51/888463651.db2.gz PEMMRBBPMXRVGI-SFYZADRCSA-N 1 2 295.299 -1.319 20 0 CAADLO CN(CCNC(=O)[C@H]1C[N@H+](C)CCO1)C(=O)c1ccn[nH]1 ZINC001386840449 888473219 /nfs/dbraw/zinc/47/32/19/888473219.db2.gz UOFKNOWZEVAKKW-LLVKDONJSA-N 1 2 295.343 -1.072 20 0 CAADLO CN(CCNC(=O)[C@H]1C[N@@H+](C)CCO1)C(=O)c1ccn[nH]1 ZINC001386840449 888473228 /nfs/dbraw/zinc/47/32/28/888473228.db2.gz UOFKNOWZEVAKKW-LLVKDONJSA-N 1 2 295.343 -1.072 20 0 CAADLO CN(CCNC(=O)c1cnnn1C)C(=O)Cc1c[nH+]c[nH]1 ZINC001386867571 888473420 /nfs/dbraw/zinc/47/34/20/888473420.db2.gz SMBFRKPMECBELR-UHFFFAOYSA-N 1 2 291.315 -1.031 20 0 CAADLO CN(CCNC(=O)Cn1ncnn1)C(=O)Cc1[nH]cc[nH+]1 ZINC001386899918 888474562 /nfs/dbraw/zinc/47/45/62/888474562.db2.gz KYCOGNIMXUMIPW-UHFFFAOYSA-N 1 2 292.303 -1.787 20 0 CAADLO CN(CCNC(=O)c1cnn(C)n1)C(=O)Cc1[nH]cc[nH+]1 ZINC001387003311 888476389 /nfs/dbraw/zinc/47/63/89/888476389.db2.gz XZCZKUYACWRDJA-UHFFFAOYSA-N 1 2 291.315 -1.031 20 0 CAADLO C[C@H](CNC(=O)Cn1cc[nH+]c1)NC(=O)[C@H](C)NC(N)=O ZINC001386908153 888476523 /nfs/dbraw/zinc/47/65/23/888476523.db2.gz BKVWEVGDNJWCBY-BDAKNGLRSA-N 1 2 296.331 -1.439 20 0 CAADLO CNC(=O)NCC(=O)NCCN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001386939655 888477086 /nfs/dbraw/zinc/47/70/86/888477086.db2.gz XPQQJBWDNLZBHC-UHFFFAOYSA-N 1 2 296.331 -1.544 20 0 CAADLO CN(CCNC(=O)Cc1c[nH+]cn1C)C(=O)c1cn[nH]n1 ZINC001387008212 888478103 /nfs/dbraw/zinc/47/81/03/888478103.db2.gz KLMZDCMKBKSXNQ-UHFFFAOYSA-N 1 2 291.315 -1.031 20 0 CAADLO C[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)NC(=O)Cn1cncn1 ZINC001387070230 888479495 /nfs/dbraw/zinc/47/94/95/888479495.db2.gz HVKWPKAPPMOOGF-VIFPVBQESA-N 1 2 291.315 -1.135 20 0 CAADLO CN(CCNC(=O)Cc1[nH]cc[nH+]1)C(=O)c1nnn(C)n1 ZINC001387069600 888479882 /nfs/dbraw/zinc/47/98/82/888479882.db2.gz RJRHOEAVLGXJQO-UHFFFAOYSA-N 1 2 292.303 -1.636 20 0 CAADLO COC(=O)NCC(=O)N[C@H](C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001387068481 888480237 /nfs/dbraw/zinc/48/02/37/888480237.db2.gz CCOOIUARWSDOJP-MRVPVSSYSA-N 1 2 297.315 -1.071 20 0 CAADLO CC(=O)N(C)CC[NH+]1CCN(C(=O)[C@H](C)NC(N)=O)CC1 ZINC001387591874 888484468 /nfs/dbraw/zinc/48/44/68/888484468.db2.gz UEPUDUOYWLKVGD-JTQLQIEISA-N 1 2 299.375 -1.334 20 0 CAADLO CNC(=O)NCC(=O)N(C)CC[NH+]1CCN(C(C)=O)CC1 ZINC001387593149 888486405 /nfs/dbraw/zinc/48/64/05/888486405.db2.gz ZDUSCLWMDIDZGE-UHFFFAOYSA-N 1 2 299.375 -1.462 20 0 CAADLO CC(=O)N[C@H](C)C(=O)NC1CN(C(=O)Cn2cc[nH+]c2)C1 ZINC001387689435 888489118 /nfs/dbraw/zinc/48/91/18/888489118.db2.gz HMRHDLMNLMPSAF-SECBINFHSA-N 1 2 293.327 -1.265 20 0 CAADLO CN(CCNC(=O)[C@H]1CCC(=O)N1)C(=O)Cn1cc[nH+]c1 ZINC001387663818 888489245 /nfs/dbraw/zinc/48/92/45/888489245.db2.gz APNNZBAXIOPWIY-SNVBAGLBSA-N 1 2 293.327 -1.264 20 0 CAADLO CC(=O)N[C@H](C)C(=O)NC1CN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001387692065 888491534 /nfs/dbraw/zinc/49/15/34/888491534.db2.gz QGAGOMGPYKBVOE-MRVPVSSYSA-N 1 2 293.327 -1.196 20 0 CAADLO CC(=O)N[C@@H](C)C(=O)N1CC(NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001387804917 888495647 /nfs/dbraw/zinc/49/56/47/888495647.db2.gz WYYKCMLIMOAPAB-QMMMGPOBSA-N 1 2 293.327 -1.196 20 0 CAADLO NC(=O)NCCC(=O)N1CC(NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001387830197 888496207 /nfs/dbraw/zinc/49/62/07/888496207.db2.gz DAFYKUXATUOTRD-UHFFFAOYSA-N 1 2 294.315 -1.662 20 0 CAADLO CNC(=O)NCC(=O)NCCN(C)C(=O)Cn1cc[nH+]c1 ZINC001387804817 888496619 /nfs/dbraw/zinc/49/66/19/888496619.db2.gz RCBJVZOPRPJRAP-UHFFFAOYSA-N 1 2 296.331 -1.613 20 0 CAADLO C[C@@H](CC(N)=O)C(=O)N1CC(NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001387830747 888499580 /nfs/dbraw/zinc/49/95/80/888499580.db2.gz KFWBPKLHFRAJOZ-QMMMGPOBSA-N 1 2 293.327 -1.209 20 0 CAADLO C[C@@H](CC(N)=O)C(=O)NCCN(C)C(=O)Cn1cc[nH+]c1 ZINC001387953945 888501744 /nfs/dbraw/zinc/50/17/44/888501744.db2.gz CCFOQFSQPZARGQ-JTQLQIEISA-N 1 2 295.343 -1.031 20 0 CAADLO CN(C[C@@H]1CC[N@@H+]1[C@@H]1CCNC1=O)C(=O)Cc1nnc[nH]1 ZINC001388651904 888509717 /nfs/dbraw/zinc/50/97/17/888509717.db2.gz GPDRLEFRYCTBQD-VHSXEESVSA-N 1 2 292.343 -1.232 20 0 CAADLO CN(C[C@@H]1CC[N@H+]1[C@@H]1CCNC1=O)C(=O)Cc1nnc[nH]1 ZINC001388651904 888509721 /nfs/dbraw/zinc/50/97/21/888509721.db2.gz GPDRLEFRYCTBQD-VHSXEESVSA-N 1 2 292.343 -1.232 20 0 CAADLO COC[C@@H](OC)C(=O)N[C@H]1CC[N@H+](CC(N)=O)[C@@H]1C ZINC001388811020 888511553 /nfs/dbraw/zinc/51/15/53/888511553.db2.gz RRHXUOCRTBDADS-KXUCPTDWSA-N 1 2 273.333 -1.288 20 0 CAADLO COC[C@@H](OC)C(=O)N[C@H]1CC[N@@H+](CC(N)=O)[C@@H]1C ZINC001388811020 888511564 /nfs/dbraw/zinc/51/15/64/888511564.db2.gz RRHXUOCRTBDADS-KXUCPTDWSA-N 1 2 273.333 -1.288 20 0 CAADLO Cn1c[nH+]cc1CC(=O)NC[C@@H](O)CNC(=O)C1CC1 ZINC001389032814 888512393 /nfs/dbraw/zinc/51/23/93/888512393.db2.gz BTQSDLMNGIGEER-LLVKDONJSA-N 1 2 280.328 -1.034 20 0 CAADLO Cn1c[nH+]cc1CC(=O)NC[C@H](O)CNC(=O)C1CC1 ZINC001389032816 888512577 /nfs/dbraw/zinc/51/25/77/888512577.db2.gz BTQSDLMNGIGEER-NSHDSACASA-N 1 2 280.328 -1.034 20 0 CAADLO CC(=O)N1CC[NH+](CCN(C)C(=O)[C@H]2COC(=O)N2)CC1 ZINC001388796369 888512657 /nfs/dbraw/zinc/51/26/57/888512657.db2.gz LYKHXPBUPHIXQT-LLVKDONJSA-N 1 2 298.343 -1.283 20 0 CAADLO CC(=O)N1CC[NH+](CCN(C)C(=O)[C@@H]2COC(=O)N2)CC1 ZINC001388796396 888512940 /nfs/dbraw/zinc/51/29/40/888512940.db2.gz LYKHXPBUPHIXQT-NSHDSACASA-N 1 2 298.343 -1.283 20 0 CAADLO COCC(=O)N[C@H]1CC[N@H+](Cc2nc(=O)n(C)[nH]2)[C@@H]1C ZINC001388789136 888513344 /nfs/dbraw/zinc/51/33/44/888513344.db2.gz CWQQVFAKIYKEBU-BDAKNGLRSA-N 1 2 283.332 -1.166 20 0 CAADLO COCC(=O)N[C@H]1CC[N@@H+](Cc2nc(=O)n(C)[nH]2)[C@@H]1C ZINC001388789136 888513354 /nfs/dbraw/zinc/51/33/54/888513354.db2.gz CWQQVFAKIYKEBU-BDAKNGLRSA-N 1 2 283.332 -1.166 20 0 CAADLO O=C(Cc1c[nH]c[nH+]1)NC[C@H](O)CNC(=O)[C@@H]1CCOC1 ZINC001389071588 888523046 /nfs/dbraw/zinc/52/30/46/888523046.db2.gz CKUWGGLJJDTTBV-KOLCDFICSA-N 1 2 296.327 -1.418 20 0 CAADLO C[C@H](CNC(=O)c1cn[nH]n1)NC(=O)Cn1cc[nH+]c1 ZINC001389212756 888534755 /nfs/dbraw/zinc/53/47/55/888534755.db2.gz DNQGCLOCCNVDIR-MRVPVSSYSA-N 1 2 277.288 -1.064 20 0 CAADLO C[C@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)NC(=O)c1cn[nH]n1 ZINC001389218262 888535487 /nfs/dbraw/zinc/53/54/87/888535487.db2.gz OYXWSHAZJKYXGN-SCZZXKLOSA-N 1 2 296.331 -1.630 20 0 CAADLO C[C@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)NC(=O)c1cn[nH]n1 ZINC001389218262 888535500 /nfs/dbraw/zinc/53/55/00/888535500.db2.gz OYXWSHAZJKYXGN-SCZZXKLOSA-N 1 2 296.331 -1.630 20 0 CAADLO C[C@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)NC(=O)c1cn[nH]n1 ZINC001389218256 888536138 /nfs/dbraw/zinc/53/61/38/888536138.db2.gz OYXWSHAZJKYXGN-PSASIEDQSA-N 1 2 296.331 -1.630 20 0 CAADLO C[C@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)NC(=O)c1cn[nH]n1 ZINC001389218256 888536147 /nfs/dbraw/zinc/53/61/47/888536147.db2.gz OYXWSHAZJKYXGN-PSASIEDQSA-N 1 2 296.331 -1.630 20 0 CAADLO CNC(=O)NCC(=O)N[C@H](C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001389194774 888536276 /nfs/dbraw/zinc/53/62/76/888536276.db2.gz JWTJOICNUWSZBC-MRVPVSSYSA-N 1 2 296.331 -1.498 20 0 CAADLO CC(=O)N(C)CC(=O)NC[C@@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001389213088 888536338 /nfs/dbraw/zinc/53/63/38/888536338.db2.gz HDNJDUQTKSKJCD-SNVBAGLBSA-N 1 2 295.343 -1.018 20 0 CAADLO C[C@H](CNC(=O)c1cnnn1C)NC(=O)Cn1cc[nH+]c1 ZINC001389216270 888536359 /nfs/dbraw/zinc/53/63/59/888536359.db2.gz XJWGODOCEGPULS-SECBINFHSA-N 1 2 291.315 -1.054 20 0 CAADLO NC(=O)CCCC(=O)NC1CN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001389279872 888538170 /nfs/dbraw/zinc/53/81/70/888538170.db2.gz UQLGSTWTIOENIM-UHFFFAOYSA-N 1 2 293.327 -1.065 20 0 CAADLO C[C@H](CNC(=O)Cn1ncnn1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001389285357 888538911 /nfs/dbraw/zinc/53/89/11/888538911.db2.gz IGMSVMXNNXJNEB-MRVPVSSYSA-N 1 2 292.303 -1.740 20 0 CAADLO C[C@H](CNC(=O)[C@@H]1COC(=O)N1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001389288169 888539874 /nfs/dbraw/zinc/53/98/74/888539874.db2.gz WZOHMZVYEKMALK-APPZFPTMSA-N 1 2 295.299 -1.319 20 0 CAADLO CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)Cn2cnnn2)C1 ZINC001389346536 888541019 /nfs/dbraw/zinc/54/10/19/888541019.db2.gz OFXJNGYOGJYGTN-JTQLQIEISA-N 1 2 295.347 -1.610 20 0 CAADLO CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)Cn2cnnn2)C1 ZINC001389346536 888541033 /nfs/dbraw/zinc/54/10/33/888541033.db2.gz OFXJNGYOGJYGTN-JTQLQIEISA-N 1 2 295.347 -1.610 20 0 CAADLO C[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)NC(=O)Cn1ncnn1 ZINC001389360583 888542535 /nfs/dbraw/zinc/54/25/35/888542535.db2.gz IQAYACSQKLTPBJ-QMMMGPOBSA-N 1 2 292.303 -1.740 20 0 CAADLO CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2COC(=O)N2)C1 ZINC001389358189 888543011 /nfs/dbraw/zinc/54/30/11/888543011.db2.gz LPSQUDBDGZTRBE-NXEZZACHSA-N 1 2 298.343 -1.189 20 0 CAADLO CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)[C@H]2COC(=O)N2)C1 ZINC001389358189 888543017 /nfs/dbraw/zinc/54/30/17/888543017.db2.gz LPSQUDBDGZTRBE-NXEZZACHSA-N 1 2 298.343 -1.189 20 0 CAADLO COCC(=O)NCCN1CC[NH+]([C@@H]2CCN(C)C2=O)CC1 ZINC001389400496 888544429 /nfs/dbraw/zinc/54/44/29/888544429.db2.gz KOWYTXXTHITQRS-GFCCVEGCSA-N 1 2 298.387 -1.403 20 0 CAADLO COCC(=O)NCC[NH+]1CCN(Cc2cn(C)nn2)CC1 ZINC001389398315 888544754 /nfs/dbraw/zinc/54/47/54/888544754.db2.gz FXQHFPUQDYNABA-UHFFFAOYSA-N 1 2 296.375 -1.305 20 0 CAADLO C[C@@H](C(N)=O)[NH+]1CCN(CCNC(=O)c2ccon2)CC1 ZINC001389412985 888544819 /nfs/dbraw/zinc/54/48/19/888544819.db2.gz VEEAJLZSRMJMJR-JTQLQIEISA-N 1 2 295.343 -1.104 20 0 CAADLO C[C@@H](CNC(=O)[C@@H]1CCC(=O)N1)NC(=O)Cn1cc[nH+]c1 ZINC001389417703 888545308 /nfs/dbraw/zinc/54/53/08/888545308.db2.gz PITFHNDUPRCGRD-UWVGGRQHSA-N 1 2 293.327 -1.217 20 0 CAADLO CC(=O)N(C)CC(=O)NC[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001389416272 888546141 /nfs/dbraw/zinc/54/61/41/888546141.db2.gz HDNJDUQTKSKJCD-JTQLQIEISA-N 1 2 295.343 -1.018 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@@H](NC(=O)CCNC(N)=O)C1 ZINC001389400104 888547107 /nfs/dbraw/zinc/54/71/07/888547107.db2.gz NGAFHZAHZWHDNR-MRVPVSSYSA-N 1 2 271.321 -1.889 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@@H](NC(=O)CCNC(N)=O)C1 ZINC001389400104 888547118 /nfs/dbraw/zinc/54/71/18/888547118.db2.gz NGAFHZAHZWHDNR-MRVPVSSYSA-N 1 2 271.321 -1.889 20 0 CAADLO CO[C@@H](C)CC(=O)N[C@H]1CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001389456743 888548232 /nfs/dbraw/zinc/54/82/32/888548232.db2.gz UBGZGAOTTNCVFB-IUCAKERBSA-N 1 2 286.332 -1.203 20 0 CAADLO CO[C@@H](C)CC(=O)N[C@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001389456743 888548244 /nfs/dbraw/zinc/54/82/44/888548244.db2.gz UBGZGAOTTNCVFB-IUCAKERBSA-N 1 2 286.332 -1.203 20 0 CAADLO CCCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001389480417 888549750 /nfs/dbraw/zinc/54/97/50/888549750.db2.gz LNTZVNJNUXYFIY-VHSXEESVSA-N 1 2 297.359 -1.616 20 0 CAADLO CCCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001389480417 888549760 /nfs/dbraw/zinc/54/97/60/888549760.db2.gz LNTZVNJNUXYFIY-VHSXEESVSA-N 1 2 297.359 -1.616 20 0 CAADLO Cn1nccc1COCC(=O)N[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001389464309 888550460 /nfs/dbraw/zinc/55/04/60/888550460.db2.gz KBBUBKYZWWKIFB-SNVBAGLBSA-N 1 2 295.343 -1.388 20 0 CAADLO Cn1nccc1COCC(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001389464309 888550473 /nfs/dbraw/zinc/55/04/73/888550473.db2.gz KBBUBKYZWWKIFB-SNVBAGLBSA-N 1 2 295.343 -1.388 20 0 CAADLO CO[C@H](C)CC(=O)N[C@H]1CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001389456741 888550588 /nfs/dbraw/zinc/55/05/88/888550588.db2.gz UBGZGAOTTNCVFB-BDAKNGLRSA-N 1 2 286.332 -1.203 20 0 CAADLO CO[C@H](C)CC(=O)N[C@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001389456741 888550600 /nfs/dbraw/zinc/55/06/00/888550600.db2.gz UBGZGAOTTNCVFB-BDAKNGLRSA-N 1 2 286.332 -1.203 20 0 CAADLO CCCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001389480405 888551740 /nfs/dbraw/zinc/55/17/40/888551740.db2.gz LNTZVNJNUXYFIY-NXEZZACHSA-N 1 2 297.359 -1.616 20 0 CAADLO CCCNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001389480405 888551748 /nfs/dbraw/zinc/55/17/48/888551748.db2.gz LNTZVNJNUXYFIY-NXEZZACHSA-N 1 2 297.359 -1.616 20 0 CAADLO C[C@@H](CNC(=O)c1nnn(C)n1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001389515829 888552946 /nfs/dbraw/zinc/55/29/46/888552946.db2.gz BRLGBOOMAIUPDR-ZETCQYMHSA-N 1 2 292.303 -1.590 20 0 CAADLO CCC(=O)NCC(=O)N[C@H]1C[C@H]([NH2+]Cc2nnn(C)n2)C1 ZINC001389837993 888564374 /nfs/dbraw/zinc/56/43/74/888564374.db2.gz QAPFDWVUDYTGIK-KYZUINATSA-N 1 2 295.347 -1.527 20 0 CAADLO COCC(=O)NC[C@@H]1CCCC[N@@H+]1CC(=O)NC(N)=O ZINC001390108513 888570948 /nfs/dbraw/zinc/57/09/48/888570948.db2.gz PRTUKKMNQPDDQE-VIFPVBQESA-N 1 2 286.332 -1.202 20 0 CAADLO COCC(=O)NC[C@@H]1CCCC[N@H+]1CC(=O)NC(N)=O ZINC001390108513 888570956 /nfs/dbraw/zinc/57/09/56/888570956.db2.gz PRTUKKMNQPDDQE-VIFPVBQESA-N 1 2 286.332 -1.202 20 0 CAADLO CNC(=O)NCC(=O)NC[C@@H](C)[NH2+]Cc1nnc(C)o1 ZINC001390411578 888580715 /nfs/dbraw/zinc/58/07/15/888580715.db2.gz XVGSYZSTIVXAPI-SSDOTTSWSA-N 1 2 284.320 -1.099 20 0 CAADLO C[C@@H](CNC(=O)[C@H]1C[C@H]1C(N)=O)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001390488079 888584110 /nfs/dbraw/zinc/58/41/10/888584110.db2.gz ZEEMWUJOAHXLLB-RNJXMRFFSA-N 1 2 296.331 -2.176 20 0 CAADLO C[C@@H](CNC(=O)c1nnc[nH]1)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001390487901 888586308 /nfs/dbraw/zinc/58/63/08/888586308.db2.gz IPTVYZICKDFYRC-LURJTMIESA-N 1 2 280.292 -1.865 20 0 CAADLO C[C@H](CNC(=O)Cn1[nH]cc2c(=O)ncnc1-2)[NH2+]CCO ZINC001390492007 888586528 /nfs/dbraw/zinc/58/65/28/888586528.db2.gz WKNGIUUWWBBYNU-MRVPVSSYSA-N 1 2 294.315 -1.842 20 0 CAADLO C[N@H+](CCNC(=O)[C@H]1CCC(=O)N1)CC(=O)NC1CC1 ZINC001390742714 888596449 /nfs/dbraw/zinc/59/64/49/888596449.db2.gz QNTSAOGQLWNYLL-SNVBAGLBSA-N 1 2 282.344 -1.408 20 0 CAADLO C[N@@H+](CCNC(=O)[C@H]1CCC(=O)N1)CC(=O)NC1CC1 ZINC001390742714 888596454 /nfs/dbraw/zinc/59/64/54/888596454.db2.gz QNTSAOGQLWNYLL-SNVBAGLBSA-N 1 2 282.344 -1.408 20 0 CAADLO Cn1cnc(C(=O)NCC[N@H+](C)Cc2nc(=O)n(C)[nH]2)n1 ZINC001390760294 888596927 /nfs/dbraw/zinc/59/69/27/888596927.db2.gz SJZIEZNRKSSDIR-UHFFFAOYSA-N 1 2 294.319 -1.901 20 0 CAADLO Cn1cnc(C(=O)NCC[N@@H+](C)Cc2nc(=O)n(C)[nH]2)n1 ZINC001390760294 888596937 /nfs/dbraw/zinc/59/69/37/888596937.db2.gz SJZIEZNRKSSDIR-UHFFFAOYSA-N 1 2 294.319 -1.901 20 0 CAADLO Cn1[nH]c(C[N@H+](C)CCNC(=O)Cc2cc[nH]n2)nc1=O ZINC001390740874 888597463 /nfs/dbraw/zinc/59/74/63/888597463.db2.gz IABBWPYRHHOZMR-UHFFFAOYSA-N 1 2 293.331 -1.378 20 0 CAADLO Cn1[nH]c(C[N@@H+](C)CCNC(=O)Cc2cc[nH]n2)nc1=O ZINC001390740874 888597481 /nfs/dbraw/zinc/59/74/81/888597481.db2.gz IABBWPYRHHOZMR-UHFFFAOYSA-N 1 2 293.331 -1.378 20 0 CAADLO CCNC(=O)C[N@H+](C)CCNC(=O)CO[C@H]1CCOC1 ZINC001390756432 888597813 /nfs/dbraw/zinc/59/78/13/888597813.db2.gz KUKSZOJJFHUQPL-NSHDSACASA-N 1 2 287.360 -1.024 20 0 CAADLO CCNC(=O)C[N@@H+](C)CCNC(=O)CO[C@H]1CCOC1 ZINC001390756432 888597826 /nfs/dbraw/zinc/59/78/26/888597826.db2.gz KUKSZOJJFHUQPL-NSHDSACASA-N 1 2 287.360 -1.024 20 0 CAADLO CCC(=O)NCC[N@H+](C)CC(=O)N1CCNC(=O)C1 ZINC001390723163 888597882 /nfs/dbraw/zinc/59/78/82/888597882.db2.gz XDRPNHKACICWIZ-UHFFFAOYSA-N 1 2 270.333 -1.597 20 0 CAADLO CCC(=O)NCC[N@@H+](C)CC(=O)N1CCNC(=O)C1 ZINC001390723163 888597887 /nfs/dbraw/zinc/59/78/87/888597887.db2.gz XDRPNHKACICWIZ-UHFFFAOYSA-N 1 2 270.333 -1.597 20 0 CAADLO CCC(=O)NCC(=O)NCC[N@H+](C)Cc1nc(=O)n(C)[nH]1 ZINC001390740255 888598386 /nfs/dbraw/zinc/59/83/86/888598386.db2.gz DMCQHWKBLKXUSQ-UHFFFAOYSA-N 1 2 298.347 -1.817 20 0 CAADLO CCC(=O)NCC(=O)NCC[N@@H+](C)Cc1nc(=O)n(C)[nH]1 ZINC001390740255 888598393 /nfs/dbraw/zinc/59/83/93/888598393.db2.gz DMCQHWKBLKXUSQ-UHFFFAOYSA-N 1 2 298.347 -1.817 20 0 CAADLO CC(=O)N[C@H](C)C(=O)NCC[N@H+](C)Cc1nc(=O)n(C)[nH]1 ZINC001390729462 888598440 /nfs/dbraw/zinc/59/84/40/888598440.db2.gz DJUSQCICNWBMFJ-MRVPVSSYSA-N 1 2 298.347 -1.819 20 0 CAADLO CC(=O)N[C@H](C)C(=O)NCC[N@@H+](C)Cc1nc(=O)n(C)[nH]1 ZINC001390729462 888598443 /nfs/dbraw/zinc/59/84/43/888598443.db2.gz DJUSQCICNWBMFJ-MRVPVSSYSA-N 1 2 298.347 -1.819 20 0 CAADLO CNC(=O)NC(=O)[C@H](C)[N@H+](C)CCNC(=O)c1cn[nH]n1 ZINC001390780154 888599217 /nfs/dbraw/zinc/59/92/17/888599217.db2.gz QQTPGTDRYHLPQH-ZETCQYMHSA-N 1 2 297.319 -1.690 20 0 CAADLO CNC(=O)NC(=O)[C@H](C)[N@@H+](C)CCNC(=O)c1cn[nH]n1 ZINC001390780154 888599232 /nfs/dbraw/zinc/59/92/32/888599232.db2.gz QQTPGTDRYHLPQH-ZETCQYMHSA-N 1 2 297.319 -1.690 20 0 CAADLO CNC(=O)NC(=O)[C@H](C)[N@H+](C)CCNC(=O)c1cnn[nH]1 ZINC001390780154 888599241 /nfs/dbraw/zinc/59/92/41/888599241.db2.gz QQTPGTDRYHLPQH-ZETCQYMHSA-N 1 2 297.319 -1.690 20 0 CAADLO CNC(=O)NC(=O)[C@H](C)[N@@H+](C)CCNC(=O)c1cnn[nH]1 ZINC001390780154 888599255 /nfs/dbraw/zinc/59/92/55/888599255.db2.gz QQTPGTDRYHLPQH-ZETCQYMHSA-N 1 2 297.319 -1.690 20 0 CAADLO COc1c[nH]c(C(=O)NCC[N@H+](C)[C@H](C)C(N)=O)cc1=O ZINC001390786779 888599526 /nfs/dbraw/zinc/59/95/26/888599526.db2.gz XSSGBOXKHKNVEK-MRVPVSSYSA-N 1 2 296.327 -1.081 20 0 CAADLO COc1c[nH]c(C(=O)NCC[N@@H+](C)[C@H](C)C(N)=O)cc1=O ZINC001390786779 888599550 /nfs/dbraw/zinc/59/95/50/888599550.db2.gz XSSGBOXKHKNVEK-MRVPVSSYSA-N 1 2 296.327 -1.081 20 0 CAADLO Cn1nccc1C[N@H+](C)CCNC(=O)[C@H]1CNC(=O)N1 ZINC001390810035 888601068 /nfs/dbraw/zinc/60/10/68/888601068.db2.gz UKAVDLOXLZKOGU-SNVBAGLBSA-N 1 2 280.332 -1.351 20 0 CAADLO Cn1nccc1C[N@@H+](C)CCNC(=O)[C@H]1CNC(=O)N1 ZINC001390810035 888601078 /nfs/dbraw/zinc/60/10/78/888601078.db2.gz UKAVDLOXLZKOGU-SNVBAGLBSA-N 1 2 280.332 -1.351 20 0 CAADLO CN(C)C(=O)C[N@H+](C)CCNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001390821923 888601397 /nfs/dbraw/zinc/60/13/97/888601397.db2.gz FXIWSMQTZDRLAZ-QMMMGPOBSA-N 1 2 299.331 -2.279 20 0 CAADLO CN(C)C(=O)C[N@@H+](C)CCNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001390821923 888601403 /nfs/dbraw/zinc/60/14/03/888601403.db2.gz FXIWSMQTZDRLAZ-QMMMGPOBSA-N 1 2 299.331 -2.279 20 0 CAADLO C[N@H+](CCNC(=O)c1cnn2c1OCCC2)CC(N)=O ZINC001390780695 888601414 /nfs/dbraw/zinc/60/14/14/888601414.db2.gz DPULFTMPURHFNC-UHFFFAOYSA-N 1 2 281.316 -1.188 20 0 CAADLO C[N@@H+](CCNC(=O)c1cnn2c1OCCC2)CC(N)=O ZINC001390780695 888601418 /nfs/dbraw/zinc/60/14/18/888601418.db2.gz DPULFTMPURHFNC-UHFFFAOYSA-N 1 2 281.316 -1.188 20 0 CAADLO C[C@H](NC(=O)c1ccoc1)C(=O)NCC[N@H+](C)CC(N)=O ZINC001390771864 888601449 /nfs/dbraw/zinc/60/14/49/888601449.db2.gz VEINHWOASWDRML-VIFPVBQESA-N 1 2 296.327 -1.069 20 0 CAADLO C[C@H](NC(=O)c1ccoc1)C(=O)NCC[N@@H+](C)CC(N)=O ZINC001390771864 888601454 /nfs/dbraw/zinc/60/14/54/888601454.db2.gz VEINHWOASWDRML-VIFPVBQESA-N 1 2 296.327 -1.069 20 0 CAADLO CCN(CC)C(=O)C[N@H+](C)CCNC(=O)c1nnn(C)n1 ZINC001390805420 888601469 /nfs/dbraw/zinc/60/14/69/888601469.db2.gz RDYYCAUSGLWJDT-UHFFFAOYSA-N 1 2 297.363 -1.260 20 0 CAADLO CCN(CC)C(=O)C[N@@H+](C)CCNC(=O)c1nnn(C)n1 ZINC001390805420 888601475 /nfs/dbraw/zinc/60/14/75/888601475.db2.gz RDYYCAUSGLWJDT-UHFFFAOYSA-N 1 2 297.363 -1.260 20 0 CAADLO C[N@H+](CCNC(=O)[C@@H]1CCC(=O)NC1)CC(=O)NC1CC1 ZINC001390778910 888602156 /nfs/dbraw/zinc/60/21/56/888602156.db2.gz BKNHXDJTBXTZJT-SNVBAGLBSA-N 1 2 296.371 -1.161 20 0 CAADLO C[N@@H+](CCNC(=O)[C@@H]1CCC(=O)NC1)CC(=O)NC1CC1 ZINC001390778910 888602168 /nfs/dbraw/zinc/60/21/68/888602168.db2.gz BKNHXDJTBXTZJT-SNVBAGLBSA-N 1 2 296.371 -1.161 20 0 CAADLO Cn1c(=O)ccn(CC(=O)NCC[N@H+](C)CC(N)=O)c1=O ZINC001390769016 888602395 /nfs/dbraw/zinc/60/23/95/888602395.db2.gz XBAKEZPCUNVPQK-UHFFFAOYSA-N 1 2 297.315 -2.920 20 0 CAADLO Cn1c(=O)ccn(CC(=O)NCC[N@@H+](C)CC(N)=O)c1=O ZINC001390769016 888602417 /nfs/dbraw/zinc/60/24/17/888602417.db2.gz XBAKEZPCUNVPQK-UHFFFAOYSA-N 1 2 297.315 -2.920 20 0 CAADLO CCCN1C[C@@H](C(=O)NCC[N@H+](C)CC(N)=O)CC1=O ZINC001390822064 888602664 /nfs/dbraw/zinc/60/26/64/888602664.db2.gz GWKTWNZZSZBRLL-JTQLQIEISA-N 1 2 284.360 -1.222 20 0 CAADLO CCCN1C[C@@H](C(=O)NCC[N@@H+](C)CC(N)=O)CC1=O ZINC001390822064 888602671 /nfs/dbraw/zinc/60/26/71/888602671.db2.gz GWKTWNZZSZBRLL-JTQLQIEISA-N 1 2 284.360 -1.222 20 0 CAADLO CCn1nc(C(=O)NCC[N@H+](C)CC(N)=O)ccc1=O ZINC001390830130 888605715 /nfs/dbraw/zinc/60/57/15/888605715.db2.gz MRZHMSHRGBXJAL-UHFFFAOYSA-N 1 2 281.316 -1.590 20 0 CAADLO CCn1nc(C(=O)NCC[N@@H+](C)CC(N)=O)ccc1=O ZINC001390830130 888605722 /nfs/dbraw/zinc/60/57/22/888605722.db2.gz MRZHMSHRGBXJAL-UHFFFAOYSA-N 1 2 281.316 -1.590 20 0 CAADLO CCC[C@@H](NC(N)=O)C(=O)NCC[N@H+](C)CC(N)=O ZINC001390853233 888606471 /nfs/dbraw/zinc/60/64/71/888606471.db2.gz AWSZVUVNKBAICS-MRVPVSSYSA-N 1 2 273.337 -1.643 20 0 CAADLO CCC[C@@H](NC(N)=O)C(=O)NCC[N@@H+](C)CC(N)=O ZINC001390853233 888606482 /nfs/dbraw/zinc/60/64/82/888606482.db2.gz AWSZVUVNKBAICS-MRVPVSSYSA-N 1 2 273.337 -1.643 20 0 CAADLO C[N@H+](CCNC(=O)CCn1cnnn1)CC(=O)N1CCC1 ZINC001390836833 888606705 /nfs/dbraw/zinc/60/67/05/888606705.db2.gz LZWSVUDFKOIYHP-UHFFFAOYSA-N 1 2 295.347 -1.657 20 0 CAADLO C[N@@H+](CCNC(=O)CCn1cnnn1)CC(=O)N1CCC1 ZINC001390836833 888606712 /nfs/dbraw/zinc/60/67/12/888606712.db2.gz LZWSVUDFKOIYHP-UHFFFAOYSA-N 1 2 295.347 -1.657 20 0 CAADLO CCNC(=O)C[N@H+](C)CCNC(=O)CCn1cnnn1 ZINC001390835753 888606943 /nfs/dbraw/zinc/60/69/43/888606943.db2.gz KOEMIPZIRIELCD-UHFFFAOYSA-N 1 2 283.336 -1.753 20 0 CAADLO CCNC(=O)C[N@@H+](C)CCNC(=O)CCn1cnnn1 ZINC001390835753 888606948 /nfs/dbraw/zinc/60/69/48/888606948.db2.gz KOEMIPZIRIELCD-UHFFFAOYSA-N 1 2 283.336 -1.753 20 0 CAADLO CCC[C@@H](NC(N)=O)C(=O)NCC[N@H+](C)CC(=O)NC ZINC001390853469 888607866 /nfs/dbraw/zinc/60/78/66/888607866.db2.gz BVDQNZXNJVPAFR-SECBINFHSA-N 1 2 287.364 -1.383 20 0 CAADLO CCC[C@@H](NC(N)=O)C(=O)NCC[N@@H+](C)CC(=O)NC ZINC001390853469 888607876 /nfs/dbraw/zinc/60/78/76/888607876.db2.gz BVDQNZXNJVPAFR-SECBINFHSA-N 1 2 287.364 -1.383 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CCC[C@@H]1CNC(=O)Cc1nnc[nH]1 ZINC001391067158 888609992 /nfs/dbraw/zinc/60/99/92/888609992.db2.gz IOGXZXJJXJJMAE-RKDXNWHRSA-N 1 2 280.332 -1.198 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CCC[C@@H]1CNC(=O)Cc1nnc[nH]1 ZINC001391067158 888610003 /nfs/dbraw/zinc/61/00/03/888610003.db2.gz IOGXZXJJXJJMAE-RKDXNWHRSA-N 1 2 280.332 -1.198 20 0 CAADLO CC[N@H+](CCNC(=O)[C@H]1C[C@H]1C(N)=O)Cc1cnnn1C ZINC001390962761 888610834 /nfs/dbraw/zinc/61/08/34/888610834.db2.gz NPNAICMYJMCWMQ-MNOVXSKESA-N 1 2 294.359 -1.125 20 0 CAADLO CC[N@@H+](CCNC(=O)[C@H]1C[C@H]1C(N)=O)Cc1cnnn1C ZINC001390962761 888610843 /nfs/dbraw/zinc/61/08/43/888610843.db2.gz NPNAICMYJMCWMQ-MNOVXSKESA-N 1 2 294.359 -1.125 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CCC[C@@H]1CNC(=O)Cc1nnc[nH]1 ZINC001391067156 888612413 /nfs/dbraw/zinc/61/24/13/888612413.db2.gz IOGXZXJJXJJMAE-DTWKUNHWSA-N 1 2 280.332 -1.198 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CCC[C@@H]1CNC(=O)Cc1nnc[nH]1 ZINC001391067156 888612414 /nfs/dbraw/zinc/61/24/14/888612414.db2.gz IOGXZXJJXJJMAE-DTWKUNHWSA-N 1 2 280.332 -1.198 20 0 CAADLO CNC(=O)C[N@H+](CCNC(=O)Cc1nnc(C)[nH]1)C1CC1 ZINC001391162671 888616685 /nfs/dbraw/zinc/61/66/85/888616685.db2.gz ZOCDXVTYQSQLTJ-UHFFFAOYSA-N 1 2 294.359 -1.018 20 0 CAADLO CNC(=O)C[N@@H+](CCNC(=O)Cc1nnc(C)[nH]1)C1CC1 ZINC001391162671 888616694 /nfs/dbraw/zinc/61/66/94/888616694.db2.gz ZOCDXVTYQSQLTJ-UHFFFAOYSA-N 1 2 294.359 -1.018 20 0 CAADLO C[C@H]([NH2+]CCN(C)C(=O)Cc1ncn[nH]1)C(=O)N(C)C ZINC001391219916 888619741 /nfs/dbraw/zinc/61/97/41/888619741.db2.gz DXZYXTPCCHITQO-VIFPVBQESA-N 1 2 282.348 -1.128 20 0 CAADLO COCC(=O)N(C)CCN1CC[NH+]([C@@H]2CCNC2=O)CC1 ZINC001391332123 888622692 /nfs/dbraw/zinc/62/26/92/888622692.db2.gz NJACVBFZAOUYLR-GFCCVEGCSA-N 1 2 298.387 -1.403 20 0 CAADLO COCC(=O)N(C)CC[NH+]1CCN([C@@H]2CCNC2=O)CC1 ZINC001391332123 888622701 /nfs/dbraw/zinc/62/27/01/888622701.db2.gz NJACVBFZAOUYLR-GFCCVEGCSA-N 1 2 298.387 -1.403 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(NC(=O)Cc2nnc(C)o2)C1 ZINC001391408802 888622832 /nfs/dbraw/zinc/62/28/32/888622832.db2.gz CDSAMQOCYFPXSG-JTQLQIEISA-N 1 2 284.316 -1.272 20 0 CAADLO CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001391381736 888622853 /nfs/dbraw/zinc/62/28/53/888622853.db2.gz XCBBDCYEIKLVOF-NXEZZACHSA-N 1 2 297.359 -1.616 20 0 CAADLO CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001391381736 888622862 /nfs/dbraw/zinc/62/28/62/888622862.db2.gz XCBBDCYEIKLVOF-NXEZZACHSA-N 1 2 297.359 -1.616 20 0 CAADLO CNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)C[C@@H](C)NC(N)=O)C1 ZINC001391376466 888623238 /nfs/dbraw/zinc/62/32/38/888623238.db2.gz YUPZPGNOVACARH-NXEZZACHSA-N 1 2 299.375 -1.240 20 0 CAADLO CNC(=O)C[N@H+]1CCC[C@@H](NC(=O)C[C@@H](C)NC(N)=O)C1 ZINC001391376466 888623249 /nfs/dbraw/zinc/62/32/49/888623249.db2.gz YUPZPGNOVACARH-NXEZZACHSA-N 1 2 299.375 -1.240 20 0 CAADLO CNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)C[C@H](C)NC(N)=O)C1 ZINC001391376467 888623900 /nfs/dbraw/zinc/62/39/00/888623900.db2.gz YUPZPGNOVACARH-VHSXEESVSA-N 1 2 299.375 -1.240 20 0 CAADLO CNC(=O)C[N@H+]1CCC[C@@H](NC(=O)C[C@H](C)NC(N)=O)C1 ZINC001391376467 888623909 /nfs/dbraw/zinc/62/39/09/888623909.db2.gz YUPZPGNOVACARH-VHSXEESVSA-N 1 2 299.375 -1.240 20 0 CAADLO COCC(=O)N[C@@H]1CCC[N@H+](CCNS(C)(=O)=O)C1 ZINC001391370090 888625345 /nfs/dbraw/zinc/62/53/45/888625345.db2.gz FDGDMUANMCXPMY-SNVBAGLBSA-N 1 2 293.389 -1.237 20 0 CAADLO COCC(=O)N[C@@H]1CCC[N@@H+](CCNS(C)(=O)=O)C1 ZINC001391370090 888625361 /nfs/dbraw/zinc/62/53/61/888625361.db2.gz FDGDMUANMCXPMY-SNVBAGLBSA-N 1 2 293.389 -1.237 20 0 CAADLO COC[C@H](O)C[NH+]1CC(NC(=O)c2cc(OC)n(C)n2)C1 ZINC001391434819 888627846 /nfs/dbraw/zinc/62/78/46/888627846.db2.gz XWWXEICIXCEYHR-SNVBAGLBSA-N 1 2 298.343 -1.150 20 0 CAADLO COC[C@H](O)C[NH+]1CC(NC(=O)[C@H](C)NC(N)=O)C1 ZINC001391411411 888628035 /nfs/dbraw/zinc/62/80/35/888628035.db2.gz SMTRDHRGMHVTTG-IONNQARKSA-N 1 2 274.321 -2.149 20 0 CAADLO COC[C@@H](C)[NH+]1CC(NC(=O)CN(C)S(C)(=O)=O)C1 ZINC001391432052 888628061 /nfs/dbraw/zinc/62/80/61/888628061.db2.gz RJXZESVGERDYMC-SECBINFHSA-N 1 2 293.389 -1.287 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(NC(=O)c2cc3n(n2)CCO3)C1 ZINC001391419504 888628341 /nfs/dbraw/zinc/62/83/41/888628341.db2.gz AXPMGLSJIHQCOT-JTQLQIEISA-N 1 2 296.327 -1.303 20 0 CAADLO COC[C@H](O)C[NH+]1CC(NC(=O)CN2CCCCC2=O)C1 ZINC001391429905 888628537 /nfs/dbraw/zinc/62/85/37/888628537.db2.gz PJZXHYYEABIXRZ-GFCCVEGCSA-N 1 2 299.371 -1.193 20 0 CAADLO COCC(=O)N(C)CC(=O)NC1C[NH+](C[C@@H](C)O)C1 ZINC001391432416 888628803 /nfs/dbraw/zinc/62/88/03/888628803.db2.gz UNYQAUDRMYPGPE-SECBINFHSA-N 1 2 273.333 -1.728 20 0 CAADLO CC(=O)N[C@@H](C)C(=O)NCC1C[NH+]([C@@H](C)C(N)=O)C1 ZINC001391466745 888631129 /nfs/dbraw/zinc/63/11/29/888631129.db2.gz IMZNKTHCIYUVMD-YUMQZZPRSA-N 1 2 270.333 -1.567 20 0 CAADLO COCC[NH+]1CC(NC(=O)[C@H](C)NS(C)(=O)=O)C1 ZINC001391451230 888631862 /nfs/dbraw/zinc/63/18/62/888631862.db2.gz XEVVMVGHIDQXLR-QMMMGPOBSA-N 1 2 279.362 -1.629 20 0 CAADLO NC(=O)NC(=O)C[NH+]1CC(CNC(=O)[C@H]2CCCCO2)C1 ZINC001391476553 888631747 /nfs/dbraw/zinc/63/17/47/888631747.db2.gz VXKJHUAHXFEEEE-SNVBAGLBSA-N 1 2 298.343 -1.202 20 0 CAADLO O=C(CNC(=O)C1CC1)NCC1C[NH+]([C@H]2CCNC2=O)C1 ZINC001391466913 888631799 /nfs/dbraw/zinc/63/17/99/888631799.db2.gz HFMSBPCWVQWFKI-NSHDSACASA-N 1 2 294.355 -1.551 20 0 CAADLO NC(=O)NC(=O)C[NH+]1CC(CNC(=O)[C@H]2CCOC2)C1 ZINC001391475373 888631843 /nfs/dbraw/zinc/63/18/43/888631843.db2.gz ISCSMRWRHSDASS-VIFPVBQESA-N 1 2 284.316 -1.734 20 0 CAADLO NC(=O)NC(=O)C[NH+]1CC(CNC(=O)[C@H]2CC2(F)F)C1 ZINC001391476877 888631987 /nfs/dbraw/zinc/63/19/87/888631987.db2.gz UHCGKODZUKGZBP-SSDOTTSWSA-N 1 2 290.270 -1.116 20 0 CAADLO CCC(=O)NCC(=O)NCC1C[NH+](CC(=O)NC)C1 ZINC001391478677 888632294 /nfs/dbraw/zinc/63/22/94/888632294.db2.gz SHTOLELUGABLSE-UHFFFAOYSA-N 1 2 270.333 -1.693 20 0 CAADLO CNC(=O)C[NH+]1CC(CNC(=O)CN2CCCC2=O)C1 ZINC001391467895 888633045 /nfs/dbraw/zinc/63/30/45/888633045.db2.gz RQXURBQZETYCIP-UHFFFAOYSA-N 1 2 282.344 -1.597 20 0 CAADLO O=C(CNC(=O)C1CC1)NCC1C[NH+]([C@@H]2CCNC2=O)C1 ZINC001391466911 888632597 /nfs/dbraw/zinc/63/25/97/888632597.db2.gz HFMSBPCWVQWFKI-LLVKDONJSA-N 1 2 294.355 -1.551 20 0 CAADLO CC(=O)N[C@H](C)C(=O)NCC1C[NH+]([C@H](C)C(N)=O)C1 ZINC001391466740 888633071 /nfs/dbraw/zinc/63/30/71/888633071.db2.gz IMZNKTHCIYUVMD-HTQZYQBOSA-N 1 2 270.333 -1.567 20 0 CAADLO C[C@@H](C(N)=O)[NH+]1CC(CNC(=O)CNC(=O)C2CC2)C1 ZINC001391468520 888633102 /nfs/dbraw/zinc/63/31/02/888633102.db2.gz QYOGWIUAUNUCLW-QMMMGPOBSA-N 1 2 282.344 -1.566 20 0 CAADLO C[C@H](O)C[NH+]1CC(NC(=O)C(C)(C)NS(C)(=O)=O)C1 ZINC001391443958 888633129 /nfs/dbraw/zinc/63/31/29/888633129.db2.gz MWFOZMJWSOLRPU-QMMMGPOBSA-N 1 2 293.389 -1.505 20 0 CAADLO CO[C@@H](C)C(=O)NCC1C[NH+](CC(=O)NC(N)=O)C1 ZINC001391473946 888633177 /nfs/dbraw/zinc/63/31/77/888633177.db2.gz FKIKTLTWXCXDNE-ZETCQYMHSA-N 1 2 272.305 -1.736 20 0 CAADLO CCNC(=O)C[NH+]1CC(CNC(=O)c2cnnn2C)C1 ZINC001391475155 888633210 /nfs/dbraw/zinc/63/32/10/888633210.db2.gz MPGAEQMNJVLOET-UHFFFAOYSA-N 1 2 280.332 -1.387 20 0 CAADLO NC(=O)NC(=O)C[NH+]1CC(CNC(=O)[C@@H]2CCCCO2)C1 ZINC001391476549 888633364 /nfs/dbraw/zinc/63/33/64/888633364.db2.gz VXKJHUAHXFEEEE-JTQLQIEISA-N 1 2 298.343 -1.202 20 0 CAADLO Cn1ccc(CC(=O)NCC2C[NH+]([C@H]3CCNC3=O)C2)n1 ZINC001391484350 888633429 /nfs/dbraw/zinc/63/34/29/888633429.db2.gz VAOKSMZUXQKIDZ-LBPRGKRZSA-N 1 2 291.355 -1.101 20 0 CAADLO C[C@H](NC(N)=O)C(=O)N[C@H]1CC[N@H+](CC(=O)NC2CC2)C1 ZINC001391549357 888634567 /nfs/dbraw/zinc/63/45/67/888634567.db2.gz LOYIILPJSJDSRE-WPRPVWTQSA-N 1 2 297.359 -1.488 20 0 CAADLO C[C@H](NC(N)=O)C(=O)N[C@H]1CC[N@@H+](CC(=O)NC2CC2)C1 ZINC001391549357 888634577 /nfs/dbraw/zinc/63/45/77/888634577.db2.gz LOYIILPJSJDSRE-WPRPVWTQSA-N 1 2 297.359 -1.488 20 0 CAADLO CC(C)NC(=O)C[NH+]1CC(CNC(=O)CCNC(N)=O)C1 ZINC001391517736 888634676 /nfs/dbraw/zinc/63/46/76/888634676.db2.gz INKOWFVQXMSUBH-UHFFFAOYSA-N 1 2 299.375 -1.383 20 0 CAADLO CNC(=O)C[NH+]1CC(CNC(=O)Cn2ncn(C)c2=O)C1 ZINC001391493842 888634706 /nfs/dbraw/zinc/63/47/06/888634706.db2.gz TVCIAJSKZCHQOT-UHFFFAOYSA-N 1 2 296.331 -2.624 20 0 CAADLO O=C(CC1CS(=O)(=O)C1)NCC1C[NH+](CCO)C1 ZINC001391488489 888634796 /nfs/dbraw/zinc/63/47/96/888634796.db2.gz GCOWHQOTKUETGX-UHFFFAOYSA-N 1 2 276.358 -1.539 20 0 CAADLO Cc1nonc1CC(=O)NCC1C[NH+]([C@@H](C)C(N)=O)C1 ZINC001391512838 888634893 /nfs/dbraw/zinc/63/48/93/888634893.db2.gz VIGDUDIJFYSFBA-QMMMGPOBSA-N 1 2 281.316 -1.158 20 0 CAADLO Cc1nonc1CC(=O)NCC1C[NH+]([C@H](C)C(N)=O)C1 ZINC001391512832 888635374 /nfs/dbraw/zinc/63/53/74/888635374.db2.gz VIGDUDIJFYSFBA-MRVPVSSYSA-N 1 2 281.316 -1.158 20 0 CAADLO CNC(=O)C[NH+]1CC(CNC(=O)Cc2cncn2C)C1 ZINC001391507444 888635402 /nfs/dbraw/zinc/63/54/02/888635402.db2.gz AAHSFNDZWVVAJZ-UHFFFAOYSA-N 1 2 279.344 -1.243 20 0 CAADLO C[C@H](C(N)=O)[NH+]1CC(CNC(=O)[C@@]2(C)CCC(=O)NC2)C1 ZINC001391500589 888635469 /nfs/dbraw/zinc/63/54/69/888635469.db2.gz IIMVXHKHGOYGIR-OTYXRUKQSA-N 1 2 296.371 -1.176 20 0 CAADLO CCC(=O)NCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC(=O)N(C)C ZINC001391526994 888635546 /nfs/dbraw/zinc/63/55/46/888635546.db2.gz NBSYCIGVLNNOHH-QWRGUYRKSA-N 1 2 296.371 -1.114 20 0 CAADLO CCC(=O)NCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC(=O)N(C)C ZINC001391526994 888635551 /nfs/dbraw/zinc/63/55/51/888635551.db2.gz NBSYCIGVLNNOHH-QWRGUYRKSA-N 1 2 296.371 -1.114 20 0 CAADLO CC(C)OCC(=O)N[C@H]1CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001391545267 888635788 /nfs/dbraw/zinc/63/57/88/888635788.db2.gz ALUQPEOBYOICIW-VIFPVBQESA-N 1 2 286.332 -1.203 20 0 CAADLO CC(C)OCC(=O)N[C@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001391545267 888635793 /nfs/dbraw/zinc/63/57/93/888635793.db2.gz ALUQPEOBYOICIW-VIFPVBQESA-N 1 2 286.332 -1.203 20 0 CAADLO CS(=O)(=O)CCC(=O)NCC1C[NH+](CCCO)C1 ZINC001391489152 888635969 /nfs/dbraw/zinc/63/59/69/888635969.db2.gz PKHYZUJCXDEANC-UHFFFAOYSA-N 1 2 278.374 -1.149 20 0 CAADLO CCNC(=O)C[NH+]1CC(CNC(=O)Cn2cncn2)C1 ZINC001391515977 888636006 /nfs/dbraw/zinc/63/60/06/888636006.db2.gz GSGKZHUTGDNOKZ-UHFFFAOYSA-N 1 2 280.332 -1.538 20 0 CAADLO NC(=O)NCCC(=O)NCC1C[NH+]([C@@H]2CCNC2=O)C1 ZINC001391522341 888636503 /nfs/dbraw/zinc/63/65/03/888636503.db2.gz SHIOCCSRHVBQMM-SECBINFHSA-N 1 2 283.332 -2.019 20 0 CAADLO CCCS(=O)(=O)CC(=O)NCC1C[NH+](CCO)C1 ZINC001391516521 888636550 /nfs/dbraw/zinc/63/65/50/888636550.db2.gz FOWALQDRSVFDKD-UHFFFAOYSA-N 1 2 278.374 -1.149 20 0 CAADLO CC[C@@H](CNC(=O)CN(C)C(C)=O)[NH2+]Cc1nnn(C)n1 ZINC001391672158 888638233 /nfs/dbraw/zinc/63/82/33/888638233.db2.gz MFOVFUZDZNOIKQ-JTQLQIEISA-N 1 2 297.363 -1.327 20 0 CAADLO CC[C@@H](NC(C)=O)C(=O)N(C)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001391616418 888639204 /nfs/dbraw/zinc/63/92/04/888639204.db2.gz BXADDYITFNVCGG-GHMZBOCLSA-N 1 2 284.360 -1.081 20 0 CAADLO CC[C@@H](NC(C)=O)C(=O)N(C)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001391616418 888639213 /nfs/dbraw/zinc/63/92/13/888639213.db2.gz BXADDYITFNVCGG-GHMZBOCLSA-N 1 2 284.360 -1.081 20 0 CAADLO CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CN2CCOCC2)C1 ZINC001391584424 888639694 /nfs/dbraw/zinc/63/96/94/888639694.db2.gz BBUIYKJKXDWDQN-GFCCVEGCSA-N 1 2 298.387 -1.355 20 0 CAADLO CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)CN2CCOCC2)C1 ZINC001391584424 888639706 /nfs/dbraw/zinc/63/97/06/888639706.db2.gz BBUIYKJKXDWDQN-GFCCVEGCSA-N 1 2 298.387 -1.355 20 0 CAADLO CNS(=O)(=O)CC(=O)N[C@@H]1CC[N@@H+]([C@H](C)C(N)=O)C1 ZINC001391603999 888640188 /nfs/dbraw/zinc/64/01/88/888640188.db2.gz SJQCSQRPPPKCLY-HTQZYQBOSA-N 1 2 292.361 -2.400 20 0 CAADLO CNS(=O)(=O)CC(=O)N[C@@H]1CC[N@H+]([C@H](C)C(N)=O)C1 ZINC001391603999 888640195 /nfs/dbraw/zinc/64/01/95/888640195.db2.gz SJQCSQRPPPKCLY-HTQZYQBOSA-N 1 2 292.361 -2.400 20 0 CAADLO C[C@]1(C(=O)N[C@@H]2CC[N@H+](CC(=O)NC(N)=O)C2)CCOC1 ZINC001391592473 888640608 /nfs/dbraw/zinc/64/06/08/888640608.db2.gz NGRGOCPMQYYDNY-RNCFNFMXSA-N 1 2 298.343 -1.202 20 0 CAADLO C[C@]1(C(=O)N[C@@H]2CC[N@@H+](CC(=O)NC(N)=O)C2)CCOC1 ZINC001391592473 888640615 /nfs/dbraw/zinc/64/06/15/888640615.db2.gz NGRGOCPMQYYDNY-RNCFNFMXSA-N 1 2 298.343 -1.202 20 0 CAADLO CC[C@@H](NC(C)=O)C(=O)N[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001391563092 888640661 /nfs/dbraw/zinc/64/06/61/888640661.db2.gz GVKPMAMRIDQDOS-VHSXEESVSA-N 1 2 270.333 -1.423 20 0 CAADLO CC[C@@H](NC(C)=O)C(=O)N[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001391563092 888640667 /nfs/dbraw/zinc/64/06/67/888640667.db2.gz GVKPMAMRIDQDOS-VHSXEESVSA-N 1 2 270.333 -1.423 20 0 CAADLO CC[C@H](CNC(=O)[C@H](C)NC(C)=O)[NH2+]Cc1nnn(C)n1 ZINC001391660071 888641286 /nfs/dbraw/zinc/64/12/86/888641286.db2.gz QLLSZRFLCRFLFG-WCBMZHEXSA-N 1 2 297.363 -1.281 20 0 CAADLO CC[C@@H](CNC(=O)[C@@H]1CNC(=O)N1)[NH2+]Cc1nnn(C)n1 ZINC001391723077 888643277 /nfs/dbraw/zinc/64/32/77/888643277.db2.gz YUAHHGRILAAFSG-YUMQZZPRSA-N 1 2 296.335 -2.124 20 0 CAADLO COCC[N@@H+]1CCO[C@@H](CNC(=O)[C@H](C)CC(N)=O)C1 ZINC001391987964 888654530 /nfs/dbraw/zinc/65/45/30/888654530.db2.gz OOIJQHZBIAULQD-MNOVXSKESA-N 1 2 287.360 -1.039 20 0 CAADLO COCC[N@H+]1CCO[C@@H](CNC(=O)[C@H](C)CC(N)=O)C1 ZINC001391987964 888654539 /nfs/dbraw/zinc/65/45/39/888654539.db2.gz OOIJQHZBIAULQD-MNOVXSKESA-N 1 2 287.360 -1.039 20 0 CAADLO COCC[N@@H+]1CCO[C@@H](CNC(=O)[C@@H](C)CC(N)=O)C1 ZINC001391987968 888654637 /nfs/dbraw/zinc/65/46/37/888654637.db2.gz OOIJQHZBIAULQD-QWRGUYRKSA-N 1 2 287.360 -1.039 20 0 CAADLO COCC[N@H+]1CCO[C@@H](CNC(=O)[C@@H](C)CC(N)=O)C1 ZINC001391987968 888654649 /nfs/dbraw/zinc/65/46/49/888654649.db2.gz OOIJQHZBIAULQD-QWRGUYRKSA-N 1 2 287.360 -1.039 20 0 CAADLO O=C(CN1CCCCC1=O)NC[C@@H]1C[N@H+](CCO)CCO1 ZINC001391982425 888656642 /nfs/dbraw/zinc/65/66/42/888656642.db2.gz UBFTXRNMEAHJGU-GFCCVEGCSA-N 1 2 299.371 -1.192 20 0 CAADLO O=C(CN1CCCCC1=O)NC[C@@H]1C[N@@H+](CCO)CCO1 ZINC001391982425 888656646 /nfs/dbraw/zinc/65/66/46/888656646.db2.gz UBFTXRNMEAHJGU-GFCCVEGCSA-N 1 2 299.371 -1.192 20 0 CAADLO CC(C)OCC(=O)NC[C@@H](O)CNC(=O)Cn1cc[nH+]c1 ZINC001392034859 888659090 /nfs/dbraw/zinc/65/90/90/888659090.db2.gz OAEHAMGSGWXBFU-NSHDSACASA-N 1 2 298.343 -1.099 20 0 CAADLO CC(C)OCC(=O)NC[C@@H](O)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001392037985 888659537 /nfs/dbraw/zinc/65/95/37/888659537.db2.gz QVECZDFLESYAHL-NSHDSACASA-N 1 2 298.343 -1.030 20 0 CAADLO CN(CC[N@H+](C)CC(N)=O)C(=O)CN1CCN(C)C(=O)C1 ZINC001392288395 888674367 /nfs/dbraw/zinc/67/43/67/888674367.db2.gz KUOVIWWXPWMHJP-UHFFFAOYSA-N 1 2 299.375 -2.364 20 0 CAADLO CN(CC[N@@H+](C)CC(N)=O)C(=O)CN1CCN(C)C(=O)C1 ZINC001392288395 888674377 /nfs/dbraw/zinc/67/43/77/888674377.db2.gz KUOVIWWXPWMHJP-UHFFFAOYSA-N 1 2 299.375 -2.364 20 0 CAADLO CC(=O)NCC(=O)NC[C@H](O)C[NH2+]Cc1cnsn1 ZINC001392348867 888678394 /nfs/dbraw/zinc/67/83/94/888678394.db2.gz ZXTZXUOSVDUMFU-SECBINFHSA-N 1 2 287.345 -1.759 20 0 CAADLO Cn1nncc1C(=O)NC[C@@H](O)C[NH2+]Cc1cnsn1 ZINC001392364779 888684661 /nfs/dbraw/zinc/68/46/61/888684661.db2.gz BSKWYKHFXXFPDV-QMMMGPOBSA-N 1 2 297.344 -1.453 20 0 CAADLO Cc1noc(C[NH2+]C[C@H](O)CNC(=O)c2ncc[nH]2)n1 ZINC001392369493 888688206 /nfs/dbraw/zinc/68/82/06/888688206.db2.gz LXDRQHFQVZCUMF-QMMMGPOBSA-N 1 2 280.288 -1.018 20 0 CAADLO O=C(NC[C@H](O)C[NH2+]Cc1cnsn1)c1cn[nH]n1 ZINC001392382750 888690737 /nfs/dbraw/zinc/69/07/37/888690737.db2.gz DBPPXMLZTJFSRV-SSDOTTSWSA-N 1 2 283.317 -1.463 20 0 CAADLO Cc1noc(C[NH2+]C[C@H](O)CNC(=O)c2cncn2C)n1 ZINC001392392189 888692846 /nfs/dbraw/zinc/69/28/46/888692846.db2.gz UMBZEXHWMVOGIT-VIFPVBQESA-N 1 2 294.315 -1.008 20 0 CAADLO Cn1ccnc1C[NH2+]C[C@H](O)CNC(=O)Cc1nnc[nH]1 ZINC001392418290 888702758 /nfs/dbraw/zinc/70/27/58/888702758.db2.gz FZBMUWZYQIXDLW-VIFPVBQESA-N 1 2 293.331 -1.652 20 0 CAADLO Cc1conc1C[NH2+]C[C@@H](O)CNC(=O)Cc1nnc[nH]1 ZINC001392428479 888704900 /nfs/dbraw/zinc/70/49/00/888704900.db2.gz SCSIGDUEZKFPSH-SECBINFHSA-N 1 2 294.315 -1.089 20 0 CAADLO Cn1nnc(CNC[C@@H](O)CNC(=O)Cn2cc[nH+]c2)n1 ZINC001392426644 888705672 /nfs/dbraw/zinc/70/56/72/888705672.db2.gz KIQDIKJVRSGQJU-SECBINFHSA-N 1 2 294.319 -2.327 20 0 CAADLO Cc1conc1C[NH2+]C[C@H](O)CNC(=O)Cc1nnc[nH]1 ZINC001392428480 888707875 /nfs/dbraw/zinc/70/78/75/888707875.db2.gz SCSIGDUEZKFPSH-VIFPVBQESA-N 1 2 294.315 -1.089 20 0 CAADLO COCc1noc(C[NH2+]C[C@@H](C)NC(=O)CNC(C)=O)n1 ZINC001392456588 888709907 /nfs/dbraw/zinc/70/99/07/888709907.db2.gz HVTGFJPAEUBNJT-MRVPVSSYSA-N 1 2 299.331 -1.054 20 0 CAADLO C[C@@H](C[NH2+]Cc1csnn1)NC(=O)[C@H]1CNC(=O)N1 ZINC001392588305 888723725 /nfs/dbraw/zinc/72/37/25/888723725.db2.gz AJMYEKGYAGRQFY-POYBYMJQSA-N 1 2 284.345 -1.186 20 0 CAADLO CNC(=O)NCC(=O)N[C@@H](C)C[NH2+]Cc1nnc(C)o1 ZINC001392559964 888724391 /nfs/dbraw/zinc/72/43/91/888724391.db2.gz DQGGLQQYUYYSRO-ZETCQYMHSA-N 1 2 284.320 -1.099 20 0 CAADLO CNC(=O)[C@H](C)[N@H+](C)C[C@H](C)NC(=O)Cc1nnc[nH]1 ZINC001392727742 888738075 /nfs/dbraw/zinc/73/80/75/888738075.db2.gz UFZCTCPHBSLNCH-IUCAKERBSA-N 1 2 282.348 -1.082 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+](C)C[C@H](C)NC(=O)Cc1nnc[nH]1 ZINC001392727742 888738086 /nfs/dbraw/zinc/73/80/86/888738086.db2.gz UFZCTCPHBSLNCH-IUCAKERBSA-N 1 2 282.348 -1.082 20 0 CAADLO CCC(=O)NCC(=O)NC[C@@H]1CC[N@H+]1[C@H](CC)C(N)=O ZINC001392825470 888739205 /nfs/dbraw/zinc/73/92/05/888739205.db2.gz SIHYTANKTPDUDS-VHSXEESVSA-N 1 2 284.360 -1.033 20 0 CAADLO CCC(=O)NCC(=O)NC[C@@H]1CC[N@@H+]1[C@H](CC)C(N)=O ZINC001392825470 888739219 /nfs/dbraw/zinc/73/92/19/888739219.db2.gz SIHYTANKTPDUDS-VHSXEESVSA-N 1 2 284.360 -1.033 20 0 CAADLO COC[C@@H](O)C[N@@H+]1CC[C@H]1CNC(=O)CCc1cnn[nH]1 ZINC001392855111 888743341 /nfs/dbraw/zinc/74/33/41/888743341.db2.gz XVHMPGLZBIUTOZ-RYUDHWBXSA-N 1 2 297.359 -1.065 20 0 CAADLO COC[C@@H](O)C[N@H+]1CC[C@H]1CNC(=O)CCc1cnn[nH]1 ZINC001392855111 888743355 /nfs/dbraw/zinc/74/33/55/888743355.db2.gz XVHMPGLZBIUTOZ-RYUDHWBXSA-N 1 2 297.359 -1.065 20 0 CAADLO O=C(Cn1ncnn1)NC[C@H]1CC[N@@H+]1CC(=O)N1CCC1 ZINC001392836869 888743951 /nfs/dbraw/zinc/74/39/51/888743951.db2.gz PCUIWRZTGKTQPU-SNVBAGLBSA-N 1 2 293.331 -1.904 20 0 CAADLO O=C(Cn1ncnn1)NC[C@H]1CC[N@H+]1CC(=O)N1CCC1 ZINC001392836869 888743964 /nfs/dbraw/zinc/74/39/64/888743964.db2.gz PCUIWRZTGKTQPU-SNVBAGLBSA-N 1 2 293.331 -1.904 20 0 CAADLO CC(=O)NCC(=O)NCC(=O)NC[C@@H]1CC[N@@H+]1CCF ZINC001392835377 888744357 /nfs/dbraw/zinc/74/43/57/888744357.db2.gz IFZFFMKCAVVSQN-JTQLQIEISA-N 1 2 288.323 -1.601 20 0 CAADLO CC(=O)NCC(=O)NCC(=O)NC[C@@H]1CC[N@H+]1CCF ZINC001392835377 888744360 /nfs/dbraw/zinc/74/43/60/888744360.db2.gz IFZFFMKCAVVSQN-JTQLQIEISA-N 1 2 288.323 -1.601 20 0 CAADLO O=C(CN1CCNC(=O)C1)NC[C@@H]1CC[N@H+]1CCF ZINC001392851724 888744702 /nfs/dbraw/zinc/74/47/02/888744702.db2.gz GEDDINFRERGEAJ-JTQLQIEISA-N 1 2 272.324 -1.422 20 0 CAADLO O=C(CN1CCNC(=O)C1)NC[C@@H]1CC[N@@H+]1CCF ZINC001392851724 888744711 /nfs/dbraw/zinc/74/47/11/888744711.db2.gz GEDDINFRERGEAJ-JTQLQIEISA-N 1 2 272.324 -1.422 20 0 CAADLO COC(=O)NCC(=O)NCC1([NH2+]Cc2cnn(C)n2)CC1 ZINC001392894328 888745174 /nfs/dbraw/zinc/74/51/74/888745174.db2.gz ZKGMUORYBGTMEL-UHFFFAOYSA-N 1 2 296.331 -1.091 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+]1CC[C@H]1CNC(=O)CCn1ccnn1 ZINC001392835882 888745934 /nfs/dbraw/zinc/74/59/34/888745934.db2.gz YQDXJAFIGZGPQB-QWRGUYRKSA-N 1 2 294.359 -1.007 20 0 CAADLO CNC(=O)[C@H](C)[N@H+]1CC[C@H]1CNC(=O)CCn1ccnn1 ZINC001392835882 888745947 /nfs/dbraw/zinc/74/59/47/888745947.db2.gz YQDXJAFIGZGPQB-QWRGUYRKSA-N 1 2 294.359 -1.007 20 0 CAADLO NC(=O)NCCC(=O)NCC1([NH2+]Cc2cnon2)CC1 ZINC001392954336 888747929 /nfs/dbraw/zinc/74/79/29/888747929.db2.gz KFOZJFGQFIOPFG-UHFFFAOYSA-N 1 2 282.304 -1.134 20 0 CAADLO Cn1cc(C(=O)NCC2([NH2+]Cc3nnnn3C)CC2)nn1 ZINC001392899226 888748358 /nfs/dbraw/zinc/74/83/58/888748358.db2.gz MABDMKJOEOUZAS-UHFFFAOYSA-N 1 2 291.319 -1.609 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(N(C)C(=O)c2nccnc2N)C1 ZINC001392994133 888751949 /nfs/dbraw/zinc/75/19/49/888751949.db2.gz GALRHUFMNJMVGK-JTQLQIEISA-N 1 2 295.343 -1.178 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(N(C)C(=O)[C@H]2COC(=O)N2)C1 ZINC001392996895 888752378 /nfs/dbraw/zinc/75/23/78/888752378.db2.gz IBADMXRVDJHQQE-VHSXEESVSA-N 1 2 287.316 -1.755 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(N(C)C(=O)Cc2nnc[nH]2)C1 ZINC001393023270 888752933 /nfs/dbraw/zinc/75/29/33/888752933.db2.gz XDPPYCJPZQKHFG-JTQLQIEISA-N 1 2 283.332 -1.503 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(N(C)C(=O)[C@H](COC)OC)C1 ZINC001393015314 888753323 /nfs/dbraw/zinc/75/33/23/888753323.db2.gz PDJDZFDHMIMFIT-RYUDHWBXSA-N 1 2 290.360 -1.202 20 0 CAADLO CNC(=O)NC(=O)C[N@@H+]1CC[C@](C)(NC(=O)COC)C1 ZINC001393091885 888754386 /nfs/dbraw/zinc/75/43/86/888754386.db2.gz BPOBTTACALKEJJ-LBPRGKRZSA-N 1 2 286.332 -1.331 20 0 CAADLO C[C@@H](C(=O)N[C@@]1(C)CC[N@H+](CC(N)=O)C1)n1cncn1 ZINC001393098765 888755228 /nfs/dbraw/zinc/75/52/28/888755228.db2.gz SYIHSIRDGABYCA-CABZTGNLSA-N 1 2 280.332 -1.095 20 0 CAADLO C[C@@H](C(=O)N[C@@]1(C)CC[N@@H+](CC(N)=O)C1)n1cncn1 ZINC001393098765 888755244 /nfs/dbraw/zinc/75/52/44/888755244.db2.gz SYIHSIRDGABYCA-CABZTGNLSA-N 1 2 280.332 -1.095 20 0 CAADLO C[C@@H](C(=O)N[C@]1(C)CC[N@H+](CC(N)=O)C1)n1cncn1 ZINC001393098768 888756013 /nfs/dbraw/zinc/75/60/13/888756013.db2.gz SYIHSIRDGABYCA-JOYOIKCWSA-N 1 2 280.332 -1.095 20 0 CAADLO C[C@@H](C(=O)N[C@]1(C)CC[N@@H+](CC(N)=O)C1)n1cncn1 ZINC001393098768 888756026 /nfs/dbraw/zinc/75/60/26/888756026.db2.gz SYIHSIRDGABYCA-JOYOIKCWSA-N 1 2 280.332 -1.095 20 0 CAADLO C[C@]1(NC(=O)[C@H]2CCCO2)CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001393100836 888758351 /nfs/dbraw/zinc/75/83/51/888758351.db2.gz WMHOQKBABPTNLZ-RNCFNFMXSA-N 1 2 298.343 -1.059 20 0 CAADLO C[C@]1(NC(=O)[C@H]2CCCO2)CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001393100836 888758357 /nfs/dbraw/zinc/75/83/57/888758357.db2.gz WMHOQKBABPTNLZ-RNCFNFMXSA-N 1 2 298.343 -1.059 20 0 CAADLO COC[C@@H](OC)C(=O)N[C@]1(C)CC[N@H+](CC(N)=O)C1 ZINC001393121210 888759861 /nfs/dbraw/zinc/75/98/61/888759861.db2.gz YORPADLMPIWFST-BXKDBHETSA-N 1 2 273.333 -1.286 20 0 CAADLO COC[C@@H](OC)C(=O)N[C@]1(C)CC[N@@H+](CC(N)=O)C1 ZINC001393121210 888759871 /nfs/dbraw/zinc/75/98/71/888759871.db2.gz YORPADLMPIWFST-BXKDBHETSA-N 1 2 273.333 -1.286 20 0 CAADLO COC[C@@H](OC)C(=O)N[C@@]1(C)CC[N@H+](CC(N)=O)C1 ZINC001393121220 888759984 /nfs/dbraw/zinc/75/99/84/888759984.db2.gz YORPADLMPIWFST-SKDRFNHKSA-N 1 2 273.333 -1.286 20 0 CAADLO COC[C@@H](OC)C(=O)N[C@@]1(C)CC[N@@H+](CC(N)=O)C1 ZINC001393121220 888759991 /nfs/dbraw/zinc/75/99/91/888759991.db2.gz YORPADLMPIWFST-SKDRFNHKSA-N 1 2 273.333 -1.286 20 0 CAADLO COCC(=O)NC[C@]1(O)CC[N@H+](Cc2cn(C)nn2)C1 ZINC001393243925 888763050 /nfs/dbraw/zinc/76/30/50/888763050.db2.gz ROQHMUAUVVPUNE-GFCCVEGCSA-N 1 2 283.332 -1.486 20 0 CAADLO COCC(=O)NC[C@]1(O)CC[N@@H+](Cc2cn(C)nn2)C1 ZINC001393243925 888763063 /nfs/dbraw/zinc/76/30/63/888763063.db2.gz ROQHMUAUVVPUNE-GFCCVEGCSA-N 1 2 283.332 -1.486 20 0 CAADLO C[C@H](O)C[NH+]1CC(O)(CNC(=O)c2ccc(=O)[nH]n2)C1 ZINC001393291866 888770584 /nfs/dbraw/zinc/77/05/84/888770584.db2.gz YOQCDOIXXYTNKY-QMMMGPOBSA-N 1 2 282.300 -1.661 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(O)(CNC(=O)c2cc(C)on2)C1 ZINC001393291476 888771665 /nfs/dbraw/zinc/77/16/65/888771665.db2.gz VFOYVULFUQYULS-JTQLQIEISA-N 1 2 299.327 -1.233 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(O)(CNC(=O)[C@H]2CCOC2)C1 ZINC001393294034 888771927 /nfs/dbraw/zinc/77/19/27/888771927.db2.gz GKIAZGSYLFDUJH-QWRGUYRKSA-N 1 2 288.344 -1.807 20 0 CAADLO COC[C@H](O)C[NH+]1CC(O)(CNC(=O)[C@@H]2CCOC2)C1 ZINC001393294026 888771966 /nfs/dbraw/zinc/77/19/66/888771966.db2.gz GKIAZGSYLFDUJH-GHMZBOCLSA-N 1 2 288.344 -1.807 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(O)(CNC(=O)c2ccnn2C)C1 ZINC001393294283 888772016 /nfs/dbraw/zinc/77/20/16/888772016.db2.gz HDZGOJAHOUERHL-JTQLQIEISA-N 1 2 298.343 -1.796 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(O)(CNC(=O)[C@@H]2CCOC2)C1 ZINC001393294031 888773244 /nfs/dbraw/zinc/77/32/44/888773244.db2.gz GKIAZGSYLFDUJH-MNOVXSKESA-N 1 2 288.344 -1.807 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(O)(CNC(=O)[C@H](C)SC)C1 ZINC001393295299 888773261 /nfs/dbraw/zinc/77/32/61/888773261.db2.gz HGUUGQKLJADZCX-UWVGGRQHSA-N 1 2 292.401 -1.092 20 0 CAADLO COC[C@@H](C)[NH+]1CC(O)(CNC(=O)[C@H]2COCCO2)C1 ZINC001393295322 888773412 /nfs/dbraw/zinc/77/34/12/888773412.db2.gz HNKWVOHXZISDHN-GHMZBOCLSA-N 1 2 288.344 -1.400 20 0 CAADLO COC[C@H](C)[NH+]1CC(O)(CNC(=O)[C@@H]2COCCO2)C1 ZINC001393295396 888773636 /nfs/dbraw/zinc/77/36/36/888773636.db2.gz HNKWVOHXZISDHN-QWRGUYRKSA-N 1 2 288.344 -1.400 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(O)(CNC(=O)c2ncoc2C)C1 ZINC001393299090 888774142 /nfs/dbraw/zinc/77/41/42/888774142.db2.gz ZTFHLLPHLDTNFE-JTQLQIEISA-N 1 2 299.327 -1.233 20 0 CAADLO Cn1nncc1C(=O)NCC1(O)C[NH+](CCCF)C1 ZINC001393308814 888774782 /nfs/dbraw/zinc/77/47/82/888774782.db2.gz OQVRYFVGACHOCH-UHFFFAOYSA-N 1 2 271.296 -1.049 20 0 CAADLO O=C(C[C@@H]1COC(=O)C1)NCC1(O)C[NH+](CCCO)C1 ZINC001393314821 888775368 /nfs/dbraw/zinc/77/53/68/888775368.db2.gz UQWGEMMDRPPQCI-JTQLQIEISA-N 1 2 286.328 -1.515 20 0 CAADLO COC[C@H](O)C[NH+]1CC(O)(CNC(=O)c2ncoc2C)C1 ZINC001393299092 888775644 /nfs/dbraw/zinc/77/56/44/888775644.db2.gz ZTFHLLPHLDTNFE-SNVBAGLBSA-N 1 2 299.327 -1.233 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(O)(CNC(=O)c2ocnc2C)C1 ZINC001393309751 888775948 /nfs/dbraw/zinc/77/59/48/888775948.db2.gz PBXJOEYDQSBNMT-JTQLQIEISA-N 1 2 299.327 -1.233 20 0 CAADLO COC[C@H](C)[NH+]1CC(O)(CNC(=O)CN(C)C(C)=O)C1 ZINC001393299474 888775998 /nfs/dbraw/zinc/77/59/98/888775998.db2.gz WFUVLSLTFLNITD-JTQLQIEISA-N 1 2 287.360 -1.338 20 0 CAADLO C[C@H](O)C[NH+]1CC(O)(CNC(=O)CC2(O)CCC2)C1 ZINC001393313922 888776118 /nfs/dbraw/zinc/77/61/18/888776118.db2.gz FEUHFPDCZLAWHD-JTQLQIEISA-N 1 2 272.345 -1.165 20 0 CAADLO C[C@H](O)CCC[NH+]1CC(O)(CNC(=O)c2ncn(C)n2)C1 ZINC001393307279 888776169 /nfs/dbraw/zinc/77/61/69/888776169.db2.gz XBYRAQHYXRZQGQ-JTQLQIEISA-N 1 2 297.359 -1.247 20 0 CAADLO C[C@H](O)CCC[NH+]1CC(O)(CNC(=O)[C@H]2CCC(=O)N2)C1 ZINC001393300311 888776198 /nfs/dbraw/zinc/77/61/98/888776198.db2.gz FQSIHHJIUVKHST-WDEREUQCSA-N 1 2 299.371 -1.411 20 0 CAADLO COC[C@H](C)[NH+]1CC(O)(CNC(=O)[C@H]2CC(=O)N(C)C2)C1 ZINC001393313099 888776534 /nfs/dbraw/zinc/77/65/34/888776534.db2.gz BBOXAYTUULPHFU-QWRGUYRKSA-N 1 2 299.371 -1.338 20 0 CAADLO C[C@@H](O)C[NH+]1CC(O)(CNC(=O)CCc2ccn(C)n2)C1 ZINC001393320967 888777442 /nfs/dbraw/zinc/77/74/42/888777442.db2.gz UHVJVMVWUQYQCA-LLVKDONJSA-N 1 2 296.371 -1.104 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(O)(CNC(=O)c2[nH]nnc2C)C1 ZINC001393326086 888777877 /nfs/dbraw/zinc/77/78/77/888777877.db2.gz JOPAAGYMTXJJGW-VIFPVBQESA-N 1 2 299.331 -2.103 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(O)(CNC(=O)c2c[nH]nc2C)C1 ZINC001393332561 888778411 /nfs/dbraw/zinc/77/84/11/888778411.db2.gz XPYYFMAPPLFMEZ-JTQLQIEISA-N 1 2 298.343 -1.498 20 0 CAADLO C[C@H](O)C[NH+]1CC(O)(CNC(=O)COCC(F)F)C1 ZINC001393328595 888778717 /nfs/dbraw/zinc/77/87/17/888778717.db2.gz ZUFBQZVNHKPXFP-QMMMGPOBSA-N 1 2 282.287 -1.188 20 0 CAADLO C[C@H](O)CCC[NH+]1CC(O)(CNC(=O)c2cn[nH]n2)C1 ZINC001393327794 888778783 /nfs/dbraw/zinc/77/87/83/888778783.db2.gz NXZYVDRHECODHH-VIFPVBQESA-N 1 2 283.332 -1.258 20 0 CAADLO NC(=O)[C@H]1CC[C@H]1C(=O)NCC1(O)C[NH+](CCCO)C1 ZINC001393325588 888779117 /nfs/dbraw/zinc/77/91/17/888779117.db2.gz HIGCZZVSGLNKMQ-VHSXEESVSA-N 1 2 285.344 -1.957 20 0 CAADLO CC[NH+]1CC(O)(CNC(=O)CNC(=O)CNC(C)=O)C1 ZINC001393327629 888779747 /nfs/dbraw/zinc/77/97/47/888779747.db2.gz IGGUOYNVAUGIQQ-UHFFFAOYSA-N 1 2 286.332 -2.579 20 0 CAADLO CCC[C@@H](C(=O)NCC1(O)C[NH+](CC)C1)S(N)(=O)=O ZINC001393322359 888780215 /nfs/dbraw/zinc/78/02/15/888780215.db2.gz BZUQAXAYFSBFEV-VIFPVBQESA-N 1 2 293.389 -1.374 20 0 CAADLO CO[C@@H](C)C[NH+]1CC(O)(CNC(=O)[C@@H]2CC(=O)N(C)C2)C1 ZINC001393316081 888779926 /nfs/dbraw/zinc/77/99/26/888779926.db2.gz NRFMWVYHNYCPFA-WDEREUQCSA-N 1 2 299.371 -1.338 20 0 CAADLO COC[C@H](O)C[NH+]1CC(O)(CNC(=O)c2c[nH]nc2C)C1 ZINC001393332564 888780007 /nfs/dbraw/zinc/78/00/07/888780007.db2.gz XPYYFMAPPLFMEZ-SNVBAGLBSA-N 1 2 298.343 -1.498 20 0 CAADLO C[C@H](O)CN1CC(O)(CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001393355592 888781005 /nfs/dbraw/zinc/78/10/05/888781005.db2.gz OSSZTSURVAZQJR-JTQLQIEISA-N 1 2 282.344 -1.494 20 0 CAADLO C[C@H](O)C[NH+]1CC(O)(CNC(=O)Cc2cncn2C)C1 ZINC001393355592 888781018 /nfs/dbraw/zinc/78/10/18/888781018.db2.gz OSSZTSURVAZQJR-JTQLQIEISA-N 1 2 282.344 -1.494 20 0 CAADLO COC[C@H](C)[NH+]1CC(O)(CNC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001393336583 888781090 /nfs/dbraw/zinc/78/10/90/888781090.db2.gz ASJHEDYGJDDHOE-AEJSXWLSSA-N 1 2 285.344 -1.694 20 0 CAADLO COC[C@@H](C)[NH+]1CC(O)(CNC(=O)CCn2cnnn2)C1 ZINC001393337026 888781566 /nfs/dbraw/zinc/78/15/66/888781566.db2.gz BFNYSDUAXGYDMF-SNVBAGLBSA-N 1 2 298.347 -1.739 20 0 CAADLO C[C@H](O)C[NH+]1CC(O)(CNC(=O)[C@]2(C)CCC(=O)N2)C1 ZINC001393344260 888781984 /nfs/dbraw/zinc/78/19/84/888781984.db2.gz OWGADYGGAUEFQX-CABZTGNLSA-N 1 2 285.344 -1.801 20 0 CAADLO CNS(=O)(=O)CC(=O)NCC1(O)C[NH+](CCCO)C1 ZINC001393360113 888782448 /nfs/dbraw/zinc/78/24/48/888782448.db2.gz NIBHIEVRTYDCGH-UHFFFAOYSA-N 1 2 295.361 -2.919 20 0 CAADLO COC[C@H](O)C[NH+]1CC(O)(CNC(=O)c2oncc2C)C1 ZINC001393352158 888782476 /nfs/dbraw/zinc/78/24/76/888782476.db2.gz ZHQAIYABUJIGTI-SNVBAGLBSA-N 1 2 299.327 -1.233 20 0 CAADLO Cc1nonc1C(=O)NCC1(O)C[NH+](CCCO)C1 ZINC001393363854 888782917 /nfs/dbraw/zinc/78/29/17/888782917.db2.gz AKNOHGRVWNBMSX-UHFFFAOYSA-N 1 2 270.289 -1.463 20 0 CAADLO Cc1[nH+]c[nH]c1CC(=O)NCC1(O)CN([C@@H](C)C(N)=O)C1 ZINC001393355529 888783031 /nfs/dbraw/zinc/78/30/31/888783031.db2.gz MOZGZMWEJKTEEQ-VIFPVBQESA-N 1 2 295.343 -1.703 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(O)(CNC(=O)c2cnn(C)n2)C1 ZINC001393343081 888783305 /nfs/dbraw/zinc/78/33/05/888783305.db2.gz BRQVFJIXLOQHJC-VIFPVBQESA-N 1 2 299.331 -2.401 20 0 CAADLO O=C(NCC1(O)C[NH+](CCCO)C1)c1ccc(=O)[nH]c1 ZINC001393354976 888783571 /nfs/dbraw/zinc/78/35/71/888783571.db2.gz VJXXOCWBXOGJEM-UHFFFAOYSA-N 1 2 281.312 -1.054 20 0 CAADLO CNC(=O)C[N@@H+]1CCC[C@@](CO)(NC(=O)[C@H]2CCCO2)C1 ZINC001393441125 888785618 /nfs/dbraw/zinc/78/56/18/888785618.db2.gz UTLWDJUJBCQDJL-BXUZGUMPSA-N 1 2 299.371 -1.146 20 0 CAADLO CNC(=O)C[N@H+]1CCC[C@@](CO)(NC(=O)[C@H]2CCCO2)C1 ZINC001393441125 888785631 /nfs/dbraw/zinc/78/56/31/888785631.db2.gz UTLWDJUJBCQDJL-BXUZGUMPSA-N 1 2 299.371 -1.146 20 0 CAADLO CNC(=O)C[N@@H+]1CCC[C@@](CO)(NC(=O)c2ccn[nH]2)C1 ZINC001393430419 888786352 /nfs/dbraw/zinc/78/63/52/888786352.db2.gz AMFNLZZZXXZIBP-CYBMUJFWSA-N 1 2 295.343 -1.288 20 0 CAADLO CNC(=O)C[N@H+]1CCC[C@@](CO)(NC(=O)c2ccn[nH]2)C1 ZINC001393430419 888786360 /nfs/dbraw/zinc/78/63/60/888786360.db2.gz AMFNLZZZXXZIBP-CYBMUJFWSA-N 1 2 295.343 -1.288 20 0 CAADLO C[C@@H]([NH2+]CC(N)=O)[C@H]1CCN(C(=O)Cc2ncn[nH]2)C1 ZINC001393380310 888787328 /nfs/dbraw/zinc/78/73/28/888787328.db2.gz DOEJZFNKQQOZSJ-BDAKNGLRSA-N 1 2 280.332 -1.341 20 0 CAADLO C[C@H]([NH2+]CC(N)=O)[C@@H]1CCN(C(=O)Cc2ncn[nH]2)C1 ZINC001393380312 888787381 /nfs/dbraw/zinc/78/73/81/888787381.db2.gz DOEJZFNKQQOZSJ-DTWKUNHWSA-N 1 2 280.332 -1.341 20 0 CAADLO COCCC(=O)N[C@]1(CO)CCC[N@H+](CC(N)=O)C1 ZINC001393426997 888787692 /nfs/dbraw/zinc/78/76/92/888787692.db2.gz WSBVWNNWKDFJIS-GFCCVEGCSA-N 1 2 273.333 -1.549 20 0 CAADLO COCCC(=O)N[C@]1(CO)CCC[N@@H+](CC(N)=O)C1 ZINC001393426997 888787699 /nfs/dbraw/zinc/78/76/99/888787699.db2.gz WSBVWNNWKDFJIS-GFCCVEGCSA-N 1 2 273.333 -1.549 20 0 CAADLO O=C(C[C@H]1CCC(=O)N1)NC[C@@H]1COCC[N@H+]1CCCO ZINC001393528584 888789511 /nfs/dbraw/zinc/78/95/11/888789511.db2.gz VTIWILSEYHJKFY-VXGBXAGGSA-N 1 2 299.371 -1.146 20 0 CAADLO O=C(C[C@H]1CCC(=O)N1)NC[C@@H]1COCC[N@@H+]1CCCO ZINC001393528584 888789514 /nfs/dbraw/zinc/78/95/14/888789514.db2.gz VTIWILSEYHJKFY-VXGBXAGGSA-N 1 2 299.371 -1.146 20 0 CAADLO Cn1c[nH+]cc1CC(=O)NC[C@@H]1COCCN1CC(N)=O ZINC001393526364 888789684 /nfs/dbraw/zinc/78/96/84/888789684.db2.gz WUQZNPGBAIITIX-LLVKDONJSA-N 1 2 295.343 -1.735 20 0 CAADLO CC[N@H+]1CCOC[C@H]1CNC(=O)[C@@H](C)NS(C)(=O)=O ZINC001393522744 888790836 /nfs/dbraw/zinc/79/08/36/888790836.db2.gz FHKDWFZBBHNTLO-NXEZZACHSA-N 1 2 293.389 -1.239 20 0 CAADLO CC[N@@H+]1CCOC[C@H]1CNC(=O)CN1CCN(C)C(=O)C1 ZINC001393508193 888789894 /nfs/dbraw/zinc/78/98/94/888789894.db2.gz TXEMSGVAHHZEDN-GFCCVEGCSA-N 1 2 298.387 -1.403 20 0 CAADLO CC[N@H+]1CCOC[C@H]1CNC(=O)CN1CCN(C)C(=O)C1 ZINC001393508193 888789906 /nfs/dbraw/zinc/78/99/06/888789906.db2.gz TXEMSGVAHHZEDN-GFCCVEGCSA-N 1 2 298.387 -1.403 20 0 CAADLO CC[N@@H+]1CCOC[C@H]1CNC(=O)[C@@H](C)NS(C)(=O)=O ZINC001393522744 888790825 /nfs/dbraw/zinc/79/08/25/888790825.db2.gz FHKDWFZBBHNTLO-NXEZZACHSA-N 1 2 293.389 -1.239 20 0 CAADLO CC[N@@H+]1CCOC[C@H]1CNC(=O)CNS(=O)(=O)NC ZINC001393510128 888790721 /nfs/dbraw/zinc/79/07/21/888790721.db2.gz MPLKLKWZYHXLOJ-SECBINFHSA-N 1 2 294.377 -2.123 20 0 CAADLO CC[N@H+]1CCOC[C@H]1CNC(=O)CNS(=O)(=O)NC ZINC001393510128 888790728 /nfs/dbraw/zinc/79/07/28/888790728.db2.gz MPLKLKWZYHXLOJ-SECBINFHSA-N 1 2 294.377 -2.123 20 0 CAADLO CC[N@@H+]1CCOC[C@@H]1CNC(=O)CCn1ncn(C)c1=O ZINC001393509911 888791704 /nfs/dbraw/zinc/79/17/04/888791704.db2.gz LDAYUKFQBCIITQ-NSHDSACASA-N 1 2 297.359 -1.191 20 0 CAADLO CC[N@H+]1CCOC[C@@H]1CNC(=O)CCn1ncn(C)c1=O ZINC001393509911 888791715 /nfs/dbraw/zinc/79/17/15/888791715.db2.gz LDAYUKFQBCIITQ-NSHDSACASA-N 1 2 297.359 -1.191 20 0 CAADLO O=C(C[C@@H]1CCC(=O)N1)NC[C@H]1COCC[N@H+]1CCCO ZINC001393528581 888791738 /nfs/dbraw/zinc/79/17/38/888791738.db2.gz VTIWILSEYHJKFY-RYUDHWBXSA-N 1 2 299.371 -1.146 20 0 CAADLO O=C(C[C@@H]1CCC(=O)N1)NC[C@H]1COCC[N@@H+]1CCCO ZINC001393528581 888791744 /nfs/dbraw/zinc/79/17/44/888791744.db2.gz VTIWILSEYHJKFY-RYUDHWBXSA-N 1 2 299.371 -1.146 20 0 CAADLO C[C@H](O)C[N@@H+]1CCOC[C@@H]1CNC(=O)CCNC(N)=O ZINC001393512310 888791838 /nfs/dbraw/zinc/79/18/38/888791838.db2.gz MMDVOWRYJKMEOA-UWVGGRQHSA-N 1 2 288.348 -1.757 20 0 CAADLO C[C@H](O)C[N@H+]1CCOC[C@@H]1CNC(=O)CCNC(N)=O ZINC001393512310 888791850 /nfs/dbraw/zinc/79/18/50/888791850.db2.gz MMDVOWRYJKMEOA-UWVGGRQHSA-N 1 2 288.348 -1.757 20 0 CAADLO C[C@@H](O)C[N@@H+]1CCOC[C@@H]1CNC(=O)CCNC(N)=O ZINC001393512314 888792342 /nfs/dbraw/zinc/79/23/42/888792342.db2.gz MMDVOWRYJKMEOA-ZJUUUORDSA-N 1 2 288.348 -1.757 20 0 CAADLO C[C@@H](O)C[N@H+]1CCOC[C@@H]1CNC(=O)CCNC(N)=O ZINC001393512314 888792352 /nfs/dbraw/zinc/79/23/52/888792352.db2.gz MMDVOWRYJKMEOA-ZJUUUORDSA-N 1 2 288.348 -1.757 20 0 CAADLO O=C(Cn1ncnn1)NC[C@@H]1CCC2(C[NH+](CCO)C2)O1 ZINC001393653744 888801166 /nfs/dbraw/zinc/80/11/66/888801166.db2.gz FHEHDVUMJCZGOO-JTQLQIEISA-N 1 2 296.331 -1.985 20 0 CAADLO C[C@H]1CN(C(=O)Cc2ncn[nH]2)C[C@@H]1[NH2+]CC(=O)N(C)C ZINC001393751882 888803004 /nfs/dbraw/zinc/80/30/04/888803004.db2.gz SYPHUNUMWKZHCF-UWVGGRQHSA-N 1 2 294.359 -1.128 20 0 CAADLO CCO[C@H]1C[C@@H]1C(=O)NC1(CO)CC[NH+](CC(N)=O)CC1 ZINC001393837942 888806324 /nfs/dbraw/zinc/80/63/24/888806324.db2.gz OZIYHXLRNNDJGG-QWRGUYRKSA-N 1 2 299.371 -1.160 20 0 CAADLO CCO[C@@H]1C[C@H]1C(=O)NC1(CO)CC[NH+](CC(N)=O)CC1 ZINC001393837935 888808885 /nfs/dbraw/zinc/80/88/85/888808885.db2.gz OZIYHXLRNNDJGG-GHMZBOCLSA-N 1 2 299.371 -1.160 20 0 CAADLO CNC(=O)C[NH+]1CCC(CO)(NC(=O)c2cnon2)CC1 ZINC001393847290 888808939 /nfs/dbraw/zinc/80/89/39/888808939.db2.gz NZUWTCGVTVNEAH-UHFFFAOYSA-N 1 2 297.315 -1.628 20 0 CAADLO Cc1nc[nH]c1C(=O)NC1(CO)CC[NH+](CC(N)=O)CC1 ZINC001393849127 888809099 /nfs/dbraw/zinc/80/90/99/888809099.db2.gz FTXIHCGDKZPYQQ-UHFFFAOYSA-N 1 2 295.343 -1.240 20 0 CAADLO C[C@@H](NC(=O)Cn1cncn1)[C@@H](C)[NH2+]Cc1nnn(C)n1 ZINC001394000207 888810818 /nfs/dbraw/zinc/81/08/18/888810818.db2.gz SLIMXHODRYOLCQ-RKDXNWHRSA-N 1 2 293.335 -1.515 20 0 CAADLO C[C@@H](NC(=O)Cn1cncn1)[C@H](C)[NH2+]Cc1nnn(C)n1 ZINC001394000204 888811044 /nfs/dbraw/zinc/81/10/44/888811044.db2.gz SLIMXHODRYOLCQ-DTWKUNHWSA-N 1 2 293.335 -1.515 20 0 CAADLO C[C@H](O)C[NH+]1CC(CCO)(NC(=O)[C@H]2CCC(=O)N2)C1 ZINC001394146139 888816273 /nfs/dbraw/zinc/81/62/73/888816273.db2.gz HEESOKHXWPUVIJ-VHSXEESVSA-N 1 2 285.344 -1.801 20 0 CAADLO Nc1nccnc1C(=O)NC1(CCO)C[NH+](CCCO)C1 ZINC001394145524 888819371 /nfs/dbraw/zinc/81/93/71/888819371.db2.gz ANQCLCPMLGLYTA-UHFFFAOYSA-N 1 2 295.343 -1.392 20 0 CAADLO Cc1c(C(=O)NC2(CCO)C[NH+](C[C@H](C)O)C2)nnn1C ZINC001394145548 888819399 /nfs/dbraw/zinc/81/93/99/888819399.db2.gz BEOXOCZIJZSRTR-VIFPVBQESA-N 1 2 297.359 -1.329 20 0 CAADLO C[C@@H]1OCC[C@H]1C(=O)NC1(CCO)C[NH+](CCO)C1 ZINC001394160824 888820417 /nfs/dbraw/zinc/82/04/17/888820417.db2.gz JDNGKISJZJOJLH-WDEREUQCSA-N 1 2 272.345 -1.043 20 0 CAADLO C[C@H](NC(=O)Cc1ccn(C)n1)C1C[NH+](CC(N)=O)C1 ZINC001394231428 888820549 /nfs/dbraw/zinc/82/05/49/888820549.db2.gz JNWAIFIHJOWPRM-VIFPVBQESA-N 1 2 279.344 -1.116 20 0 CAADLO Cc1nnc(CC(=O)N[C@@H](C)C2C[NH+](CC(N)=O)C2)o1 ZINC001394235559 888820971 /nfs/dbraw/zinc/82/09/71/888820971.db2.gz STTILJVUQRCARB-ZETCQYMHSA-N 1 2 281.316 -1.158 20 0 CAADLO NC(=O)[C@@H]1CC[C@H](C(=O)NC2(CCO)C[NH+](CCO)C2)C1 ZINC001394160956 888821024 /nfs/dbraw/zinc/82/10/24/888821024.db2.gz SRSOXOMPLZSIHX-MNOVXSKESA-N 1 2 299.371 -1.567 20 0 CAADLO O=C(CCc1cncnc1)NC1(CCO)C[NH+](CCO)C1 ZINC001394158311 888821087 /nfs/dbraw/zinc/82/10/87/888821087.db2.gz WWAJYGUSEWTAJK-UHFFFAOYSA-N 1 2 294.355 -1.046 20 0 CAADLO CCC(=O)N[C@H](C)C1C[NH+](CC(=O)N2CCNC(=O)C2)C1 ZINC001394211835 888821174 /nfs/dbraw/zinc/82/11/74/888821174.db2.gz QQDJSJCJVJPPLJ-SNVBAGLBSA-N 1 2 296.371 -1.209 20 0 CAADLO Cc1nonc1CC(=O)NC1(CCO)C[NH+](C[C@H](C)O)C1 ZINC001394161934 888821215 /nfs/dbraw/zinc/82/12/15/888821215.db2.gz QTHZHUJBFHMTHB-VIFPVBQESA-N 1 2 298.343 -1.146 20 0 CAADLO CCC(=O)N[C@@H](C)C1C[NH+](CC(=O)N2CCNC(=O)C2)C1 ZINC001394211834 888821533 /nfs/dbraw/zinc/82/15/33/888821533.db2.gz QQDJSJCJVJPPLJ-JTQLQIEISA-N 1 2 296.371 -1.209 20 0 CAADLO CC[NH+]1CC(CCO)(NC(=O)CN2CCNC(=O)C2)C1 ZINC001394158361 888822005 /nfs/dbraw/zinc/82/20/05/888822005.db2.gz STZRFCXPXGWKLF-UHFFFAOYSA-N 1 2 284.360 -2.009 20 0 CAADLO COCC[NH+]1CC(CCO)(NC(=O)[C@H]2CCC(=O)NC2)C1 ZINC001394156533 888822384 /nfs/dbraw/zinc/82/23/84/888822384.db2.gz UTIYWBHRTXIMIK-NSHDSACASA-N 1 2 299.371 -1.288 20 0 CAADLO CNC(=O)C[NH+]1CC([C@@H](C)NC(=O)Cn2ncnn2)C1 ZINC001394236505 888822596 /nfs/dbraw/zinc/82/25/96/888822596.db2.gz WIOBSFDSLCQOKJ-MRVPVSSYSA-N 1 2 281.320 -2.144 20 0 CAADLO CCOCC(=O)N[C@H](C)C1C[NH+](CC(=O)NC(N)=O)C1 ZINC001394220193 888823275 /nfs/dbraw/zinc/82/32/75/888823275.db2.gz RNXSJKMQWDRMEY-MRVPVSSYSA-N 1 2 286.332 -1.346 20 0 CAADLO O=C(NC1(CCO)C[NH+](CCO)C1)[C@H]1CCNC(=O)CC1 ZINC001394156762 888823413 /nfs/dbraw/zinc/82/34/13/888823413.db2.gz QMIZHXSHNZCDAN-LLVKDONJSA-N 1 2 299.371 -1.552 20 0 CAADLO CNC(=O)CN1CC(CCO)(NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001394156690 888823688 /nfs/dbraw/zinc/82/36/88/888823688.db2.gz ABWCBZRLPGFFBM-UHFFFAOYSA-N 1 2 295.343 -1.749 20 0 CAADLO C[C@@H](C(N)=O)N1CC(CCO)(NC(=O)Cn2cc[nH+]c2)C1 ZINC001394171109 888824032 /nfs/dbraw/zinc/82/40/32/888824032.db2.gz SRJKPDYTDDPKTG-JTQLQIEISA-N 1 2 295.343 -1.690 20 0 CAADLO O=C(NC[C@H](CO)[NH2+]Cc1nnc2n1CCOC2)C1CC1 ZINC001394565274 888833111 /nfs/dbraw/zinc/83/31/11/888833111.db2.gz OUXRRCJHPGMYPW-SNVBAGLBSA-N 1 2 295.343 -1.215 20 0 CAADLO Cn1cc(C[NH2+][C@@H](CO)CNC(=O)[C@@H]2COCCO2)nn1 ZINC001394568276 888834275 /nfs/dbraw/zinc/83/42/75/888834275.db2.gz CBEFPYRNMNZXHO-MNOVXSKESA-N 1 2 299.331 -2.203 20 0 CAADLO CNC(=O)[C@@H](C)[NH2+][C@H](C)CN(C)C(=O)Cc1ncn[nH]1 ZINC001394545292 888835190 /nfs/dbraw/zinc/83/51/90/888835190.db2.gz OCAQIMAYCOCEBE-RKDXNWHRSA-N 1 2 282.348 -1.082 20 0 CAADLO Cn1cc(C[NH2+][C@@H](CO)CNC(=O)[C@H]2COCCO2)nn1 ZINC001394568275 888835589 /nfs/dbraw/zinc/83/55/89/888835589.db2.gz CBEFPYRNMNZXHO-GHMZBOCLSA-N 1 2 299.331 -2.203 20 0 CAADLO COCC(=O)NC[C@@H](CO)[NH2+]Cc1nnc2n1CCCC2 ZINC001394561606 888835798 /nfs/dbraw/zinc/83/57/98/888835798.db2.gz ICWIBHPJWGLFEW-JTQLQIEISA-N 1 2 297.359 -1.173 20 0 CAADLO CCCCC(=O)NC[C@@H](CO)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001394569205 888835940 /nfs/dbraw/zinc/83/59/40/888835940.db2.gz FWNXYJQRJYWMOB-VIFPVBQESA-N 1 2 285.348 -1.135 20 0 CAADLO Cc1nnc(C[NH2+][C@H](CO)CNC(=O)c2ccnn2C)[nH]1 ZINC001394571679 888837838 /nfs/dbraw/zinc/83/78/38/888837838.db2.gz CTHDVEQHPIUKHL-VIFPVBQESA-N 1 2 293.331 -1.273 20 0 CAADLO Cn1cc(C(=O)NC[C@@H](CO)[NH2+]Cc2nncn2C)cn1 ZINC001394574725 888839203 /nfs/dbraw/zinc/83/92/03/888839203.db2.gz JQQDHKWQSIGXRG-JTQLQIEISA-N 1 2 293.331 -1.571 20 0 CAADLO Cn1ncc(C[NH2+][C@@H](CO)CNC(=O)C[C@H]2CCCO2)n1 ZINC001394572482 888840731 /nfs/dbraw/zinc/84/07/31/888840731.db2.gz LWMHRYGKSLYCTB-VXGBXAGGSA-N 1 2 297.359 -1.049 20 0 CAADLO CCn1ncc(C[NH2+][C@@H](CO)CNC(=O)[C@H]2CCOC2)n1 ZINC001394578195 888842184 /nfs/dbraw/zinc/84/21/84/888842184.db2.gz RNZLPDVERNFFRT-CMPLNLGQSA-N 1 2 297.359 -1.099 20 0 CAADLO Cn1cc(C(=O)NC[C@@H](CO)[NH2+]Cc2ncnn2C)nn1 ZINC001394576552 888842578 /nfs/dbraw/zinc/84/25/78/888842578.db2.gz ASPPDYSTDPNERA-QMMMGPOBSA-N 1 2 294.319 -2.176 20 0 CAADLO Cn1cnnc1C[NH2+][C@@H](CO)CNC(=O)c1cn[nH]c1 ZINC001394577037 888842670 /nfs/dbraw/zinc/84/26/70/888842670.db2.gz WHUMDFJJEKCEKT-SECBINFHSA-N 1 2 279.304 -1.581 20 0 CAADLO Cn1nnnc1C[NH2+][C@H](CO)CNC(=O)[C@@H]1CCCO1 ZINC001394576698 888843097 /nfs/dbraw/zinc/84/30/97/888843097.db2.gz MFASSRKJDYRHLV-IUCAKERBSA-N 1 2 284.320 -2.044 20 0 CAADLO O=C(CNC(=O)C1CC1)NC[C@H](CO)[NH2+]Cc1ccon1 ZINC001394577596 888842747 /nfs/dbraw/zinc/84/27/47/888842747.db2.gz YIHZSOYDEDJZGM-LLVKDONJSA-N 1 2 296.327 -1.233 20 0 CAADLO Cc1nnc(C[NH2+][C@@H](CO)CNC(=O)Cc2ccon2)[nH]1 ZINC001394578139 888842815 /nfs/dbraw/zinc/84/28/15/888842815.db2.gz KUYTXDSSDNSKMS-SNVBAGLBSA-N 1 2 294.315 -1.089 20 0 CAADLO Cn1cnnc1C[NH2+][C@H](CO)CNC(=O)c1cn[nH]c1 ZINC001394577038 888844180 /nfs/dbraw/zinc/84/41/80/888844180.db2.gz WHUMDFJJEKCEKT-VIFPVBQESA-N 1 2 279.304 -1.581 20 0 CAADLO COC[C@H](C)C(=O)NC[C@@H](CO)[NH2+]Cc1ncnn1C ZINC001394585183 888846410 /nfs/dbraw/zinc/84/64/10/888846410.db2.gz XYOOYMJBGYVIPK-UWVGGRQHSA-N 1 2 285.348 -1.336 20 0 CAADLO Cn1cc(C(=O)NC[C@@H](CO)[NH2+]Cc2cnn(C)n2)nn1 ZINC001394581050 888848246 /nfs/dbraw/zinc/84/82/46/888848246.db2.gz MFTQRRVOTONELQ-VIFPVBQESA-N 1 2 294.319 -2.176 20 0 CAADLO COC[C@H](C)C(=O)NC[C@H](CO)[NH2+]Cc1ncnn1C ZINC001394585185 888849496 /nfs/dbraw/zinc/84/94/96/888849496.db2.gz XYOOYMJBGYVIPK-VHSXEESVSA-N 1 2 285.348 -1.336 20 0 CAADLO Cn1cc(C[NH2+][C@H](CO)CNC(=O)[C@]23C[C@H]2COC3)nn1 ZINC001394590465 888852108 /nfs/dbraw/zinc/85/21/08/888852108.db2.gz MWENMNNIDKJUQZ-GAFUQQFSSA-N 1 2 295.343 -1.582 20 0 CAADLO Cn1cc(C[NH2+][C@@H](CO)CNC(=O)[C@]23C[C@H]2COC3)nn1 ZINC001394590468 888853941 /nfs/dbraw/zinc/85/39/41/888853941.db2.gz MWENMNNIDKJUQZ-NDMJEZRESA-N 1 2 295.343 -1.582 20 0 CAADLO CO[C@H](C(=O)NC[C@@H](CO)[NH2+]Cc1nncn1C)C1CC1 ZINC001394586655 888854246 /nfs/dbraw/zinc/85/42/46/888854246.db2.gz YDRDZJZLAISYDZ-JQWIXIFHSA-N 1 2 297.359 -1.193 20 0 CAADLO Cn1nnnc1C[NH2+][C@@H](CO)CNC(=O)c1cc[nH]c1 ZINC001394594362 888858047 /nfs/dbraw/zinc/85/80/47/888858047.db2.gz WUPVEWQODAJPNS-SECBINFHSA-N 1 2 279.304 -1.581 20 0 CAADLO Cn1cnnc1C[NH2+][C@@H](CO)CNC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001394607969 888858108 /nfs/dbraw/zinc/85/81/08/888858108.db2.gz BGCARJIYZZPBPD-SVDPJWKOSA-N 1 2 295.343 -1.726 20 0 CAADLO CC[C@@H](F)C(=O)NC[C@@H](CO)[NH2+]Cc1nnnn1C ZINC001394615069 888859557 /nfs/dbraw/zinc/85/95/57/888859557.db2.gz LFMMDQWBKOMNGA-JGVFFNPUSA-N 1 2 274.300 -1.475 20 0 CAADLO COCC1(C(=O)NC[C@@H](CO)[NH2+]Cc2cn(C)nn2)CC1 ZINC001394612783 888860084 /nfs/dbraw/zinc/86/00/84/888860084.db2.gz FCZIBVKVJGQJQJ-NSHDSACASA-N 1 2 297.359 -1.192 20 0 CAADLO Cn1nnnc1C[NH2+][C@H](CO)CNC(=O)[C@]12C[C@H]1CCC2 ZINC001394620391 888861975 /nfs/dbraw/zinc/86/19/75/888861975.db2.gz XMLCSVIMZOBUHK-GBIKHYSHSA-N 1 2 294.359 -1.033 20 0 CAADLO CC[C@H](F)C(=O)NC[C@@H](CO)[NH2+]Cc1nnnn1C ZINC001394615073 888862498 /nfs/dbraw/zinc/86/24/98/888862498.db2.gz LFMMDQWBKOMNGA-YUMQZZPRSA-N 1 2 274.300 -1.475 20 0 CAADLO Cn1nnc(C(=O)NC[C@@H](CO)[NH2+]Cc2nccs2)n1 ZINC001394628374 888863359 /nfs/dbraw/zinc/86/33/59/888863359.db2.gz XRJCJJCHXANTQH-ZETCQYMHSA-N 1 2 297.344 -1.453 20 0 CAADLO NC(=O)[C@@H]1C[C@@H]1C(=O)NC[C@H](CO)[NH2+]Cc1cscn1 ZINC001394636658 888863482 /nfs/dbraw/zinc/86/34/82/888863482.db2.gz NUNNHHXPVHDAGQ-QNSHHTMESA-N 1 2 298.368 -1.169 20 0 CAADLO Cn1cnnc1C[NH2+][C@@H](CO)CNC(=O)[C@H]1CNC(=O)N1 ZINC001394625786 888863591 /nfs/dbraw/zinc/86/35/91/888863591.db2.gz ZTZHBCSKIFSIOJ-HTQZYQBOSA-N 1 2 297.319 -2.937 20 0 CAADLO Cc1nc(C[NH2+][C@@H](CO)CNC(=O)c2nnn(C)n2)co1 ZINC001394623327 888863642 /nfs/dbraw/zinc/86/36/42/888863642.db2.gz MFMAIYNSGSEFEN-MRVPVSSYSA-N 1 2 295.303 -1.613 20 0 CAADLO CN1CC(C(=O)NC[C@@H](CO)[NH2+][C@H]2CCNC2=O)=NC1=O ZINC001394621682 888863923 /nfs/dbraw/zinc/86/39/23/888863923.db2.gz QAGVMQHVOYBPFI-YUMQZZPRSA-N 1 2 297.315 -2.306 20 0 CAADLO CN1CC(C(=O)NC[C@@H](CO)[NH2+][C@@H]2CCNC2=O)=NC1=O ZINC001394621678 888864638 /nfs/dbraw/zinc/86/46/38/888864638.db2.gz QAGVMQHVOYBPFI-JGVFFNPUSA-N 1 2 297.315 -2.306 20 0 CAADLO Cn1cnnc1C[NH2+][C@@H](CO)CNC(=O)c1ccnnc1 ZINC001394629741 888865677 /nfs/dbraw/zinc/86/56/77/888865677.db2.gz IFJKWWFJNLAUHU-SNVBAGLBSA-N 1 2 291.315 -1.514 20 0 CAADLO Cn1nnnc1C[NH2+][C@@H](CO)CNC(=O)[C@]1(C)CCOC1 ZINC001394640538 888868037 /nfs/dbraw/zinc/86/80/37/888868037.db2.gz DDUUFOGYJUGTTB-BXKDBHETSA-N 1 2 298.347 -1.797 20 0 CAADLO CN1CC[C@H]([NH2+][C@H](CO)CNC(=O)Cc2nnc[nH]2)C1=O ZINC001394642650 888868273 /nfs/dbraw/zinc/86/82/73/888868273.db2.gz HALRKONDEQLWSU-IUCAKERBSA-N 1 2 296.331 -2.355 20 0 CAADLO Cn1nnnc1C[NH2+][C@H](CO)CNC(=O)[C@]1(C)CCOC1 ZINC001394640542 888870344 /nfs/dbraw/zinc/87/03/44/888870344.db2.gz DDUUFOGYJUGTTB-JOYOIKCWSA-N 1 2 298.347 -1.797 20 0 CAADLO Cc1nnc(C[NH2+][C@@H](CO)CNC(=O)c2ccncn2)[nH]1 ZINC001394650637 888874033 /nfs/dbraw/zinc/87/40/33/888874033.db2.gz LMMPADYOOBRZRP-SECBINFHSA-N 1 2 291.315 -1.216 20 0 CAADLO Cn1ncnc1C[NH2+][C@@H](CO)CNC(=O)c1cnon1 ZINC001394654191 888874208 /nfs/dbraw/zinc/87/42/08/888874208.db2.gz WTMLFFBUCJSJCW-SSDOTTSWSA-N 1 2 281.276 -1.921 20 0 CAADLO Cn1ncnc1C[NH2+][C@H](CO)CNC(=O)c1ncccn1 ZINC001394653982 888875723 /nfs/dbraw/zinc/87/57/23/888875723.db2.gz VSGMLCLVQKICFI-VIFPVBQESA-N 1 2 291.315 -1.514 20 0 CAADLO CC(=O)NCC(=O)NC[C@@H](C)N(C)C(=O)Cn1cc[nH+]c1 ZINC001395032225 888904016 /nfs/dbraw/zinc/90/40/16/888904016.db2.gz RNJWRFYXCQWOAS-SNVBAGLBSA-N 1 2 295.343 -1.018 20 0 CAADLO Cn1c[nH+]cc1CC(=O)N[C@@H](CO)CNC(=O)C(F)F ZINC001395683967 888917003 /nfs/dbraw/zinc/91/70/03/888917003.db2.gz ZKKBXRSXYMAUQW-SSDOTTSWSA-N 1 2 290.270 -1.179 20 0 CAADLO CC(C)OCC(=O)NC[C@@H](CO)NC(=O)Cc1c[nH]c[nH+]1 ZINC001395694003 888919857 /nfs/dbraw/zinc/91/98/57/888919857.db2.gz AXSZBYPSYADFQU-NSHDSACASA-N 1 2 298.343 -1.030 20 0 CAADLO CC(C)OCC(=O)NC[C@H](CO)NC(=O)Cn1cc[nH+]c1 ZINC001395697076 888920365 /nfs/dbraw/zinc/92/03/65/888920365.db2.gz HVTKULLUFFGUAL-LLVKDONJSA-N 1 2 298.343 -1.099 20 0 CAADLO CO[C@H](C)CC(=O)NC[C@H](CO)NC(=O)Cn1cc[nH+]c1 ZINC001395696211 888920391 /nfs/dbraw/zinc/92/03/91/888920391.db2.gz JOGPOFXEIUXWOU-GHMZBOCLSA-N 1 2 298.343 -1.099 20 0 CAADLO CO[C@H](C)CC(=O)NC[C@@H](CO)NC(=O)Cn1cc[nH+]c1 ZINC001395696239 888920519 /nfs/dbraw/zinc/92/05/19/888920519.db2.gz JOGPOFXEIUXWOU-MNOVXSKESA-N 1 2 298.343 -1.099 20 0 CAADLO CC(C)[C@@H](O)C(=O)NC[C@@H](CO)NC(=O)Cc1[nH]cc[nH+]1 ZINC001395728823 888925152 /nfs/dbraw/zinc/92/51/52/888925152.db2.gz ZNRRVUBAIAIGPZ-JOYOIKCWSA-N 1 2 298.343 -1.438 20 0 CAADLO CO[C@H](C)C(=O)N[C@H](CO)CNC(=O)Cc1[nH]c[nH+]c1C ZINC001395777497 888930584 /nfs/dbraw/zinc/93/05/84/888930584.db2.gz LMKBKMXMKFMXCA-ZJUUUORDSA-N 1 2 298.343 -1.111 20 0 CAADLO COC[C@H](C)C(=O)N[C@@H](CO)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001395791851 888930743 /nfs/dbraw/zinc/93/07/43/888930743.db2.gz PEQJDUBLPLUBKP-VHSXEESVSA-N 1 2 298.343 -1.172 20 0 CAADLO COC[C@H](C)C(=O)N[C@H](CO)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001395791849 888930794 /nfs/dbraw/zinc/93/07/94/888930794.db2.gz PEQJDUBLPLUBKP-UWVGGRQHSA-N 1 2 298.343 -1.172 20 0 CAADLO CC(C)[C@@H](O)C(=O)N[C@@H](CO)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001395785906 888930891 /nfs/dbraw/zinc/93/08/91/888930891.db2.gz DBCLUFGZANMYSZ-BXKDBHETSA-N 1 2 298.343 -1.438 20 0 CAADLO CO[C@H](C)C(=O)NC[C@@H](O)CN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001396046900 888940928 /nfs/dbraw/zinc/94/09/28/888940928.db2.gz IZULNFLQPRSFDA-NXEZZACHSA-N 1 2 298.343 -1.077 20 0 CAADLO CO[C@@H](C)C(=O)NC[C@H](O)CN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001396046904 888940980 /nfs/dbraw/zinc/94/09/80/888940980.db2.gz IZULNFLQPRSFDA-UWVGGRQHSA-N 1 2 298.343 -1.077 20 0 CAADLO COCC(=O)N[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@@H]1O ZINC001396420456 888946387 /nfs/dbraw/zinc/94/63/87/888946387.db2.gz NWICOOPUTKTVQP-MNOVXSKESA-N 1 2 296.327 -1.323 20 0 CAADLO COCC(=O)N[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@@H]1O ZINC001396420456 888946396 /nfs/dbraw/zinc/94/63/96/888946396.db2.gz NWICOOPUTKTVQP-MNOVXSKESA-N 1 2 296.327 -1.323 20 0 CAADLO NC(=O)NCC(=O)N[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001396767152 888950229 /nfs/dbraw/zinc/95/02/29/888950229.db2.gz DATZNQLLAQHIDD-MRVPVSSYSA-N 1 2 294.315 -1.662 20 0 CAADLO COCCC(=O)N[C@@H]1C[N@@H+]([C@H]2CCCNC2=O)C[C@@H]1O ZINC001396926209 888952412 /nfs/dbraw/zinc/95/24/12/888952412.db2.gz MQZRIQUEEHEWPL-VWYCJHECSA-N 1 2 285.344 -1.537 20 0 CAADLO COCCC(=O)N[C@@H]1C[N@H+]([C@H]2CCCNC2=O)C[C@@H]1O ZINC001396926209 888952422 /nfs/dbraw/zinc/95/24/22/888952422.db2.gz MQZRIQUEEHEWPL-VWYCJHECSA-N 1 2 285.344 -1.537 20 0 CAADLO C[C@H](O)C[N@H+]1C[C@@H](NC(=O)CCS(C)(=O)=O)[C@@H](O)C1 ZINC001396926090 888953644 /nfs/dbraw/zinc/95/36/44/888953644.db2.gz HNNNONZPPHIQLP-AEJSXWLSSA-N 1 2 294.373 -2.037 20 0 CAADLO C[C@H](O)C[N@@H+]1C[C@@H](NC(=O)CCS(C)(=O)=O)[C@@H](O)C1 ZINC001396926090 888953649 /nfs/dbraw/zinc/95/36/49/888953649.db2.gz HNNNONZPPHIQLP-AEJSXWLSSA-N 1 2 294.373 -2.037 20 0 CAADLO COC[C@H](O)C[N@@H+]1CC[C@H]1CN(C)C(=O)Cc1ncn[nH]1 ZINC001397033949 888955108 /nfs/dbraw/zinc/95/51/08/888955108.db2.gz ATWJJLIKIOJKII-WDEREUQCSA-N 1 2 297.359 -1.113 20 0 CAADLO COC[C@H](O)C[N@H+]1CC[C@H]1CN(C)C(=O)Cc1ncn[nH]1 ZINC001397033949 888955118 /nfs/dbraw/zinc/95/51/18/888955118.db2.gz ATWJJLIKIOJKII-WDEREUQCSA-N 1 2 297.359 -1.113 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+]1CC[C@H]1CN(C)C(=O)Cn1cncn1 ZINC001397042598 888956383 /nfs/dbraw/zinc/95/63/83/888956383.db2.gz XHPIMSJCJFOFJJ-MNOVXSKESA-N 1 2 294.359 -1.055 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+]1CC[C@H]1CN(C)C(=O)Cn1cncn1 ZINC001397042598 888956393 /nfs/dbraw/zinc/95/63/93/888956393.db2.gz XHPIMSJCJFOFJJ-MNOVXSKESA-N 1 2 294.359 -1.055 20 0 CAADLO NC(=O)C[N@H+](CCO)[C@@H]1CCCN(C(=O)c2ccn[nH]2)C1 ZINC001397220599 888958417 /nfs/dbraw/zinc/95/84/17/888958417.db2.gz RYAAGIVCOMQQMU-SNVBAGLBSA-N 1 2 295.343 -1.206 20 0 CAADLO NC(=O)C[N@@H+](CCO)[C@@H]1CCCN(C(=O)c2ccn[nH]2)C1 ZINC001397220599 888958424 /nfs/dbraw/zinc/95/84/24/888958424.db2.gz RYAAGIVCOMQQMU-SNVBAGLBSA-N 1 2 295.343 -1.206 20 0 CAADLO CC[C@H](NC(C)=O)C(=O)N[C@H]1CC[N@H+](CC(N)=O)[C@@H]1C ZINC001397268033 888959464 /nfs/dbraw/zinc/95/94/64/888959464.db2.gz BOGKAZCCSJPDHI-MIMYLULJSA-N 1 2 284.360 -1.035 20 0 CAADLO CC[C@H](NC(C)=O)C(=O)N[C@H]1CC[N@@H+](CC(N)=O)[C@@H]1C ZINC001397268033 888959471 /nfs/dbraw/zinc/95/94/71/888959471.db2.gz BOGKAZCCSJPDHI-MIMYLULJSA-N 1 2 284.360 -1.035 20 0 CAADLO NC(=O)C[N@H+](CCO)[C@H]1CCCN(C(=O)c2ccn[nH]2)C1 ZINC001397220593 888959714 /nfs/dbraw/zinc/95/97/14/888959714.db2.gz RYAAGIVCOMQQMU-JTQLQIEISA-N 1 2 295.343 -1.206 20 0 CAADLO NC(=O)C[N@@H+](CCO)[C@H]1CCCN(C(=O)c2ccn[nH]2)C1 ZINC001397220593 888959727 /nfs/dbraw/zinc/95/97/27/888959727.db2.gz RYAAGIVCOMQQMU-JTQLQIEISA-N 1 2 295.343 -1.206 20 0 CAADLO C[C@H](CNC(=O)Cc1[nH]cc[nH+]1)NC(=O)[C@@H]1CCC(=O)N1 ZINC001397549273 888968213 /nfs/dbraw/zinc/96/82/13/888968213.db2.gz VTJRGGDNCQOFEJ-BDAKNGLRSA-N 1 2 293.327 -1.148 20 0 CAADLO CC(=O)NCC(=O)N[C@@H](C)CNC(=O)Cc1c[nH+]cn1C ZINC001397504497 888968731 /nfs/dbraw/zinc/96/87/31/888968731.db2.gz PTUMZXFVIGBYCG-VIFPVBQESA-N 1 2 295.343 -1.280 20 0 CAADLO C[C@H](CNC(=O)Cc1c[nH]c[nH+]1)NC(=O)[C@H]1CNC(=O)N1 ZINC001397618392 888972088 /nfs/dbraw/zinc/97/20/88/888972088.db2.gz FAMDNHNGEYOBDI-VXNVDRBHSA-N 1 2 294.315 -1.746 20 0 CAADLO C[C@@H](CNC(=O)Cn1cncn1)NC(=O)Cn1cc[nH+]c1 ZINC001397610888 888973521 /nfs/dbraw/zinc/97/35/21/888973521.db2.gz KYOBCFKRDBZMKK-JTQLQIEISA-N 1 2 291.315 -1.204 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)Cn1cncn1 ZINC001397564796 888973662 /nfs/dbraw/zinc/97/36/62/888973662.db2.gz FUOPGKPPZGTGAP-SNVBAGLBSA-N 1 2 280.332 -1.443 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)Cn1cncn1 ZINC001397564796 888973667 /nfs/dbraw/zinc/97/36/67/888973667.db2.gz FUOPGKPPZGTGAP-SNVBAGLBSA-N 1 2 280.332 -1.443 20 0 CAADLO C[C@H](NC(N)=O)C(=O)NCCN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001397898508 888980116 /nfs/dbraw/zinc/98/01/16/888980116.db2.gz MBQUZTOLSZCELJ-QMMMGPOBSA-N 1 2 296.331 -1.416 20 0 CAADLO CN(CCNC(=O)Cn1cc[nH+]c1)C(=O)[C@@H]1COCCO1 ZINC001397949687 888983128 /nfs/dbraw/zinc/98/31/28/888983128.db2.gz KOCFFFRKLOQBOT-NSHDSACASA-N 1 2 296.327 -1.127 20 0 CAADLO CN(CCNC(=O)[C@H]1CNC(=O)N1)C(=O)Cc1c[nH+]c[nH]1 ZINC001398014326 888985793 /nfs/dbraw/zinc/98/57/93/888985793.db2.gz PKLJQCIYAPFSKN-SECBINFHSA-N 1 2 294.315 -1.792 20 0 CAADLO CN(CCNC(=O)[C@@H]1CNC(=O)N1)C(=O)Cn1cc[nH+]c1 ZINC001398017155 888986035 /nfs/dbraw/zinc/98/60/35/888986035.db2.gz VNEWZUFEHVRYRT-VIFPVBQESA-N 1 2 294.315 -1.861 20 0 CAADLO CNC(=O)C[N@@H+]1CCC[C@H](NC(=O)CCNC(=O)NC)C1 ZINC001398235959 888987849 /nfs/dbraw/zinc/98/78/49/888987849.db2.gz SHMXLYSYBFGQDU-JTQLQIEISA-N 1 2 299.375 -1.368 20 0 CAADLO CNC(=O)C[N@H+]1CCC[C@H](NC(=O)CCNC(=O)NC)C1 ZINC001398235959 888987866 /nfs/dbraw/zinc/98/78/66/888987866.db2.gz SHMXLYSYBFGQDU-JTQLQIEISA-N 1 2 299.375 -1.368 20 0 CAADLO C[C@H](C(=O)NC(N)=O)[N@@H+]1CC[C@H](NC(=O)c2cn[nH]c2)C1 ZINC001398283101 888988421 /nfs/dbraw/zinc/98/84/21/888988421.db2.gz BQERKXYGHXSUBX-APPZFPTMSA-N 1 2 294.315 -1.203 20 0 CAADLO C[C@H](C(=O)NC(N)=O)[N@H+]1CC[C@H](NC(=O)c2cn[nH]c2)C1 ZINC001398283101 888988434 /nfs/dbraw/zinc/98/84/34/888988434.db2.gz BQERKXYGHXSUBX-APPZFPTMSA-N 1 2 294.315 -1.203 20 0 CAADLO C[C@@H](C(N)=O)[NH+]1CCN(CCNC(=O)[C@H]2CCCO2)CC1 ZINC001398253667 888988730 /nfs/dbraw/zinc/98/87/30/888988730.db2.gz FCAPBSOJWGFSSA-NWDGAFQWSA-N 1 2 298.387 -1.227 20 0 CAADLO CNC(=O)NC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ccn[nH]2)C1 ZINC001398294057 888988791 /nfs/dbraw/zinc/98/87/91/888988791.db2.gz SDTZQCHBQQQGKM-MRVPVSSYSA-N 1 2 294.315 -1.331 20 0 CAADLO CNC(=O)NC(=O)C[N@H+]1CC[C@@H](NC(=O)c2ccn[nH]2)C1 ZINC001398294057 888988796 /nfs/dbraw/zinc/98/87/96/888988796.db2.gz SDTZQCHBQQQGKM-MRVPVSSYSA-N 1 2 294.315 -1.331 20 0 CAADLO CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2nccnc2N)C1 ZINC001398296205 888989491 /nfs/dbraw/zinc/98/94/91/888989491.db2.gz UMOFJLADZWMWEO-VIFPVBQESA-N 1 2 292.343 -1.001 20 0 CAADLO CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2nccnc2N)C1 ZINC001398296205 888989502 /nfs/dbraw/zinc/98/95/02/888989502.db2.gz UMOFJLADZWMWEO-VIFPVBQESA-N 1 2 292.343 -1.001 20 0 CAADLO CNC(=O)C[N@@H+]1CCC[C@H](NC(=O)[C@H](C)CC(N)=O)C1 ZINC001398221924 888989748 /nfs/dbraw/zinc/98/97/48/888989748.db2.gz AXDDLQABPJCAFH-ZJUUUORDSA-N 1 2 284.360 -1.176 20 0 CAADLO CNC(=O)C[N@H+]1CCC[C@H](NC(=O)[C@H](C)CC(N)=O)C1 ZINC001398221924 888989755 /nfs/dbraw/zinc/98/97/55/888989755.db2.gz AXDDLQABPJCAFH-ZJUUUORDSA-N 1 2 284.360 -1.176 20 0 CAADLO CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cn2ncnn2)C1 ZINC001398301704 888989841 /nfs/dbraw/zinc/98/98/41/888989841.db2.gz MMKWEGSZVHBKGC-SECBINFHSA-N 1 2 281.320 -2.000 20 0 CAADLO CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)Cn2ncnn2)C1 ZINC001398301704 888989851 /nfs/dbraw/zinc/98/98/51/888989851.db2.gz MMKWEGSZVHBKGC-SECBINFHSA-N 1 2 281.320 -2.000 20 0 CAADLO CC(=O)N[C@@H]1CC[N@@H+](CC(=O)N[C@H](C)C(=O)N(C)C)C1 ZINC001398265271 888990410 /nfs/dbraw/zinc/99/04/10/888990410.db2.gz CTDUAMAEHUAOHX-MWLCHTKSSA-N 1 2 284.360 -1.210 20 0 CAADLO CC(=O)N[C@@H]1CC[N@H+](CC(=O)N[C@H](C)C(=O)N(C)C)C1 ZINC001398265271 888990421 /nfs/dbraw/zinc/99/04/21/888990421.db2.gz CTDUAMAEHUAOHX-MWLCHTKSSA-N 1 2 284.360 -1.210 20 0 CAADLO O=C(NCC[NH+]1CCN(CCF)CC1)[C@H]1CNC(=O)N1 ZINC001398271876 888990650 /nfs/dbraw/zinc/99/06/50/888990650.db2.gz GIPWTJLJTZZJPY-SNVBAGLBSA-N 1 2 287.339 -1.629 20 0 CAADLO CNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)[C@H](C)NC(N)=O)C1 ZINC001398224763 888991725 /nfs/dbraw/zinc/99/17/25/888991725.db2.gz DTEOXNLLGVAZGF-DTWKUNHWSA-N 1 2 285.348 -1.630 20 0 CAADLO CNC(=O)C[N@H+]1CCC[C@@H](NC(=O)[C@H](C)NC(N)=O)C1 ZINC001398224763 888991729 /nfs/dbraw/zinc/99/17/29/888991729.db2.gz DTEOXNLLGVAZGF-DTWKUNHWSA-N 1 2 285.348 -1.630 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@@H](COC)OC)C1 ZINC001398322921 888992662 /nfs/dbraw/zinc/99/26/62/888992662.db2.gz BBVYSGIITDBSTE-NXEZZACHSA-N 1 2 273.333 -1.416 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@@H](COC)OC)C1 ZINC001398322921 888992670 /nfs/dbraw/zinc/99/26/70/888992670.db2.gz BBVYSGIITDBSTE-NXEZZACHSA-N 1 2 273.333 -1.416 20 0 CAADLO NC(=O)NC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ccnnc2)C1 ZINC001398314222 888995651 /nfs/dbraw/zinc/99/56/51/888995651.db2.gz VJRGIEWGNDTEJU-SECBINFHSA-N 1 2 292.299 -1.524 20 0 CAADLO NC(=O)NC(=O)C[N@H+]1CC[C@@H](NC(=O)c2ccnnc2)C1 ZINC001398314222 888995662 /nfs/dbraw/zinc/99/56/62/888995662.db2.gz VJRGIEWGNDTEJU-SECBINFHSA-N 1 2 292.299 -1.524 20 0 CAADLO CC(=O)N[C@H](C)C(=O)N1CC(NC(=O)Cn2cc[nH+]c2)C1 ZINC001398624997 889006747 /nfs/dbraw/zinc/00/67/47/889006747.db2.gz WSYMGOWNNMJINR-SECBINFHSA-N 1 2 293.327 -1.265 20 0 CAADLO C[C@H](CNC(=O)CS(C)(=O)=O)[NH2+]Cc1cnn(C)n1 ZINC001398903029 889017666 /nfs/dbraw/zinc/01/76/66/889017666.db2.gz YDYVJCDJVWRXNF-MRVPVSSYSA-N 1 2 289.361 -1.546 20 0 CAADLO CC(=O)N[C@H](C)C(=O)NC[C@@H](C)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001398871026 889018238 /nfs/dbraw/zinc/01/82/38/889018238.db2.gz YLGWMUCFHHVKQT-HTQZYQBOSA-N 1 2 298.347 -1.773 20 0 CAADLO CC(=O)N[C@@H](C)C(=O)NC[C@@H](C)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001398871035 889018547 /nfs/dbraw/zinc/01/85/47/889018547.db2.gz YLGWMUCFHHVKQT-SFYZADRCSA-N 1 2 298.347 -1.773 20 0 CAADLO C[C@@H](CNC(=O)CS(C)(=O)=O)[NH2+]Cc1cnn(C)n1 ZINC001398903034 889019619 /nfs/dbraw/zinc/01/96/19/889019619.db2.gz YDYVJCDJVWRXNF-QMMMGPOBSA-N 1 2 289.361 -1.546 20 0 CAADLO C[C@@H](CNC(=O)c1cncnc1)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001398908186 889023386 /nfs/dbraw/zinc/02/33/86/889023386.db2.gz NCRYAJRZQJODMF-QMMMGPOBSA-N 1 2 291.315 -1.194 20 0 CAADLO C[C@@H](CNC(=O)[C@@H]1CNC(=O)N1)[NH2+]Cc1csnn1 ZINC001399049311 889026991 /nfs/dbraw/zinc/02/69/91/889026991.db2.gz ZJLQRBHMIXTHSV-XPUUQOCRSA-N 1 2 284.345 -1.186 20 0 CAADLO C[C@@H]([NH2+][C@@H](C)CNC(=O)c1nnc[nH]1)c1nnnn1C ZINC001399080484 889031989 /nfs/dbraw/zinc/03/19/89/889031989.db2.gz FUIANLMQXIVJLJ-NKWVEPMBSA-N 1 2 279.308 -1.203 20 0 CAADLO C[C@H](CNC(=O)c1nnc[nH]1)[NH2+][C@@H](C)c1nnnn1C ZINC001399080487 889033181 /nfs/dbraw/zinc/03/31/81/889033181.db2.gz FUIANLMQXIVJLJ-RQJHMYQMSA-N 1 2 279.308 -1.203 20 0 CAADLO CNC(=O)C[N@@H+](C)CCNC(=O)CN(C)S(C)(=O)=O ZINC001399491731 889046775 /nfs/dbraw/zinc/04/67/75/889046775.db2.gz XKARZYYRMHWIHT-UHFFFAOYSA-N 1 2 294.377 -2.328 20 0 CAADLO CNC(=O)NCC(=O)N1CC[C@H]([NH2+]Cc2nnc(C)o2)C1 ZINC001399161653 889036800 /nfs/dbraw/zinc/03/68/00/889036800.db2.gz LTJMXAHQVKJNSN-VIFPVBQESA-N 1 2 296.331 -1.002 20 0 CAADLO CCNC(=O)C[N@H+](C)CCNC(=O)[C@H](C)NC(N)=O ZINC001399448601 889041737 /nfs/dbraw/zinc/04/17/37/889041737.db2.gz KMEDUIMTJXLWAL-QMMMGPOBSA-N 1 2 273.337 -1.773 20 0 CAADLO CCNC(=O)C[N@@H+](C)CCNC(=O)[C@H](C)NC(N)=O ZINC001399448601 889041749 /nfs/dbraw/zinc/04/17/49/889041749.db2.gz KMEDUIMTJXLWAL-QMMMGPOBSA-N 1 2 273.337 -1.773 20 0 CAADLO C[N@H+](CCNC(=O)C1CCC1)CC(=O)N1CCNC(=O)C1 ZINC001399438179 889042252 /nfs/dbraw/zinc/04/22/52/889042252.db2.gz KZUQCVVKNTTWAB-UHFFFAOYSA-N 1 2 296.371 -1.207 20 0 CAADLO C[N@@H+](CCNC(=O)C1CCC1)CC(=O)N1CCNC(=O)C1 ZINC001399438179 889042261 /nfs/dbraw/zinc/04/22/61/889042261.db2.gz KZUQCVVKNTTWAB-UHFFFAOYSA-N 1 2 296.371 -1.207 20 0 CAADLO CCNC(=O)C[N@H+](C)CCNC(=O)CCn1cncn1 ZINC001399433298 889042338 /nfs/dbraw/zinc/04/23/38/889042338.db2.gz CXQSZGPJBJVMAC-UHFFFAOYSA-N 1 2 282.348 -1.148 20 0 CAADLO CCNC(=O)C[N@@H+](C)CCNC(=O)CCn1cncn1 ZINC001399433298 889042345 /nfs/dbraw/zinc/04/23/45/889042345.db2.gz CXQSZGPJBJVMAC-UHFFFAOYSA-N 1 2 282.348 -1.148 20 0 CAADLO Cn1[nH]c(C[N@H+](C)CCNC(=O)c2cncnc2)nc1=O ZINC001399450345 889042709 /nfs/dbraw/zinc/04/27/09/889042709.db2.gz PDXSEXOXIHAJTL-UHFFFAOYSA-N 1 2 291.315 -1.240 20 0 CAADLO Cn1[nH]c(C[N@@H+](C)CCNC(=O)c2cncnc2)nc1=O ZINC001399450345 889042727 /nfs/dbraw/zinc/04/27/27/889042727.db2.gz PDXSEXOXIHAJTL-UHFFFAOYSA-N 1 2 291.315 -1.240 20 0 CAADLO CNC(=O)C[N@H+](C)CCNC(=O)[C@H]1C[C@@H]1C(=O)OC ZINC001399438726 889043490 /nfs/dbraw/zinc/04/34/90/889043490.db2.gz PLXRRWNYWBERIM-IUCAKERBSA-N 1 2 271.317 -1.411 20 0 CAADLO CNC(=O)C[N@@H+](C)CCNC(=O)[C@H]1C[C@@H]1C(=O)OC ZINC001399438726 889043502 /nfs/dbraw/zinc/04/35/02/889043502.db2.gz PLXRRWNYWBERIM-IUCAKERBSA-N 1 2 271.317 -1.411 20 0 CAADLO CCNC(=O)C[N@H+](C)CCNC(=O)[C@@H]1COCCO1 ZINC001399432973 889044573 /nfs/dbraw/zinc/04/45/73/889044573.db2.gz CBIXLQHGFCRBKR-JTQLQIEISA-N 1 2 273.333 -1.414 20 0 CAADLO CCNC(=O)C[N@@H+](C)CCNC(=O)[C@@H]1COCCO1 ZINC001399432973 889044581 /nfs/dbraw/zinc/04/45/81/889044581.db2.gz CBIXLQHGFCRBKR-JTQLQIEISA-N 1 2 273.333 -1.414 20 0 CAADLO CCNC(=O)C[N@H+](C)CCNC(=O)[C@H]1COCCO1 ZINC001399432975 889044794 /nfs/dbraw/zinc/04/47/94/889044794.db2.gz CBIXLQHGFCRBKR-SNVBAGLBSA-N 1 2 273.333 -1.414 20 0 CAADLO CCNC(=O)C[N@@H+](C)CCNC(=O)[C@H]1COCCO1 ZINC001399432975 889044799 /nfs/dbraw/zinc/04/47/99/889044799.db2.gz CBIXLQHGFCRBKR-SNVBAGLBSA-N 1 2 273.333 -1.414 20 0 CAADLO CN(C)C(=O)C[N@H+](C)CCNC(=O)[C@@H]1CCC(=O)NC1 ZINC001399508428 889045983 /nfs/dbraw/zinc/04/59/83/889045983.db2.gz DFUFLDBLVVZDSA-SNVBAGLBSA-N 1 2 284.360 -1.351 20 0 CAADLO CN(C)C(=O)C[N@@H+](C)CCNC(=O)[C@@H]1CCC(=O)NC1 ZINC001399508428 889045994 /nfs/dbraw/zinc/04/59/94/889045994.db2.gz DFUFLDBLVVZDSA-SNVBAGLBSA-N 1 2 284.360 -1.351 20 0 CAADLO CNC(=O)C[N@H+](C)CCNC(=O)CN(C)S(C)(=O)=O ZINC001399491731 889046773 /nfs/dbraw/zinc/04/67/73/889046773.db2.gz XKARZYYRMHWIHT-UHFFFAOYSA-N 1 2 294.377 -2.328 20 0 CAADLO CO[C@H](C(=O)NCC[N@H+](C)CC(N)=O)c1cnn(C)c1 ZINC001399537377 889047119 /nfs/dbraw/zinc/04/71/19/889047119.db2.gz XXHWYOYBBDOVCA-NSHDSACASA-N 1 2 283.332 -1.359 20 0 CAADLO CO[C@H](C(=O)NCC[N@@H+](C)CC(N)=O)c1cnn(C)c1 ZINC001399537377 889047128 /nfs/dbraw/zinc/04/71/28/889047128.db2.gz XXHWYOYBBDOVCA-NSHDSACASA-N 1 2 283.332 -1.359 20 0 CAADLO COc1cc(OC)nc(C(=O)NCC[N@H+](C)CC(N)=O)n1 ZINC001399499099 889048504 /nfs/dbraw/zinc/04/85/04/889048504.db2.gz RFERUIBZVPJKDO-UHFFFAOYSA-N 1 2 297.315 -1.359 20 0 CAADLO COc1cc(OC)nc(C(=O)NCC[N@@H+](C)CC(N)=O)n1 ZINC001399499099 889048514 /nfs/dbraw/zinc/04/85/14/889048514.db2.gz RFERUIBZVPJKDO-UHFFFAOYSA-N 1 2 297.315 -1.359 20 0 CAADLO C[N@H+](CCNC(=O)[C@@H]1COC(=O)N1)CC(=O)NC1CC1 ZINC001399480712 889048830 /nfs/dbraw/zinc/04/88/30/889048830.db2.gz DGVSYJKDZYFNBV-VIFPVBQESA-N 1 2 284.316 -1.579 20 0 CAADLO C[N@@H+](CCNC(=O)[C@@H]1COC(=O)N1)CC(=O)NC1CC1 ZINC001399480712 889048845 /nfs/dbraw/zinc/04/88/45/889048845.db2.gz DGVSYJKDZYFNBV-VIFPVBQESA-N 1 2 284.316 -1.579 20 0 CAADLO CO[C@@H](C(=O)NCC[N@H+](C)CC(N)=O)c1cnn(C)c1 ZINC001399537372 889049015 /nfs/dbraw/zinc/04/90/15/889049015.db2.gz XXHWYOYBBDOVCA-LLVKDONJSA-N 1 2 283.332 -1.359 20 0 CAADLO CO[C@@H](C(=O)NCC[N@@H+](C)CC(N)=O)c1cnn(C)c1 ZINC001399537372 889049025 /nfs/dbraw/zinc/04/90/25/889049025.db2.gz XXHWYOYBBDOVCA-LLVKDONJSA-N 1 2 283.332 -1.359 20 0 CAADLO C[N@H+](CCNC(=O)C1(C)CC1)CC(=O)N1CCNC(=O)C1 ZINC001399487700 889049187 /nfs/dbraw/zinc/04/91/87/889049187.db2.gz YAKMGVOHRIDDJL-UHFFFAOYSA-N 1 2 296.371 -1.207 20 0 CAADLO C[N@@H+](CCNC(=O)C1(C)CC1)CC(=O)N1CCNC(=O)C1 ZINC001399487700 889049200 /nfs/dbraw/zinc/04/92/00/889049200.db2.gz YAKMGVOHRIDDJL-UHFFFAOYSA-N 1 2 296.371 -1.207 20 0 CAADLO C[C@@H](CC(=O)NCC[N@H+](C)CC(=O)NC1CC1)NC(N)=O ZINC001399498071 889049228 /nfs/dbraw/zinc/04/92/28/889049228.db2.gz OENJWXPEONRCMQ-VIFPVBQESA-N 1 2 299.375 -1.240 20 0 CAADLO C[C@@H](CC(=O)NCC[N@@H+](C)CC(=O)NC1CC1)NC(N)=O ZINC001399498071 889049243 /nfs/dbraw/zinc/04/92/43/889049243.db2.gz OENJWXPEONRCMQ-VIFPVBQESA-N 1 2 299.375 -1.240 20 0 CAADLO CN1CC[C@@H](C(=O)NCC[N@H+](C)CC(N)=O)CC1=O ZINC001399498426 889049628 /nfs/dbraw/zinc/04/96/28/889049628.db2.gz SWZVPPIFPMMFNP-SECBINFHSA-N 1 2 270.333 -1.612 20 0 CAADLO CN1CC[C@@H](C(=O)NCC[N@@H+](C)CC(N)=O)CC1=O ZINC001399498426 889049639 /nfs/dbraw/zinc/04/96/39/889049639.db2.gz SWZVPPIFPMMFNP-SECBINFHSA-N 1 2 270.333 -1.612 20 0 CAADLO CNC(=O)C[N@H+](C)CCNC(=O)[C@@H]1CC(=O)N(C)C1 ZINC001399490239 889049665 /nfs/dbraw/zinc/04/96/65/889049665.db2.gz RLZPDOKKYQNKON-SECBINFHSA-N 1 2 270.333 -1.741 20 0 CAADLO CNC(=O)C[N@@H+](C)CCNC(=O)[C@@H]1CC(=O)N(C)C1 ZINC001399490239 889049679 /nfs/dbraw/zinc/04/96/79/889049679.db2.gz RLZPDOKKYQNKON-SECBINFHSA-N 1 2 270.333 -1.741 20 0 CAADLO C[N@H+](CCNC(=O)c1cnn2ncccc12)CC(N)=O ZINC001399500572 889049757 /nfs/dbraw/zinc/04/97/57/889049757.db2.gz DJXALGUYEGCJOG-UHFFFAOYSA-N 1 2 276.300 -1.124 20 0 CAADLO C[N@@H+](CCNC(=O)c1cnn2ncccc12)CC(N)=O ZINC001399500572 889049774 /nfs/dbraw/zinc/04/97/74/889049774.db2.gz DJXALGUYEGCJOG-UHFFFAOYSA-N 1 2 276.300 -1.124 20 0 CAADLO CCN(C)C(=O)C[N@H+](C)CCNC(=O)CNC(=O)NC ZINC001399488982 889049890 /nfs/dbraw/zinc/04/98/90/889049890.db2.gz QVZRZGRIIJKGDH-UHFFFAOYSA-N 1 2 287.364 -1.558 20 0 CAADLO CCN(C)C(=O)C[N@@H+](C)CCNC(=O)CNC(=O)NC ZINC001399488982 889049914 /nfs/dbraw/zinc/04/99/14/889049914.db2.gz QVZRZGRIIJKGDH-UHFFFAOYSA-N 1 2 287.364 -1.558 20 0 CAADLO COCC1(C(=O)NCC[N@H+](C)CC(N)=O)CCOCC1 ZINC001399480864 889050044 /nfs/dbraw/zinc/05/00/44/889050044.db2.gz IQNGSLHWWXGYAD-UHFFFAOYSA-N 1 2 287.360 -1.037 20 0 CAADLO COCC1(C(=O)NCC[N@@H+](C)CC(N)=O)CCOCC1 ZINC001399480864 889050060 /nfs/dbraw/zinc/05/00/60/889050060.db2.gz IQNGSLHWWXGYAD-UHFFFAOYSA-N 1 2 287.360 -1.037 20 0 CAADLO CN1CC[C@H](C(=O)NCC[N@H+](C)CC(N)=O)CC1=O ZINC001399498427 889050638 /nfs/dbraw/zinc/05/06/38/889050638.db2.gz SWZVPPIFPMMFNP-VIFPVBQESA-N 1 2 270.333 -1.612 20 0 CAADLO CN1CC[C@H](C(=O)NCC[N@@H+](C)CC(N)=O)CC1=O ZINC001399498427 889050647 /nfs/dbraw/zinc/05/06/47/889050647.db2.gz SWZVPPIFPMMFNP-VIFPVBQESA-N 1 2 270.333 -1.612 20 0 CAADLO C[N@H+](CCNC(=O)[C@@H]1CCc2nccn2C1)CC(N)=O ZINC001399501575 889051094 /nfs/dbraw/zinc/05/10/94/889051094.db2.gz HJXQTVYGKWAOMI-SNVBAGLBSA-N 1 2 279.344 -1.021 20 0 CAADLO C[N@@H+](CCNC(=O)[C@@H]1CCc2nccn2C1)CC(N)=O ZINC001399501575 889051108 /nfs/dbraw/zinc/05/11/08/889051108.db2.gz HJXQTVYGKWAOMI-SNVBAGLBSA-N 1 2 279.344 -1.021 20 0 CAADLO CNC(=O)C[N@H+](C)CCNC(=O)[C@@H]1CC[C@H]1C(N)=O ZINC001399560220 889053250 /nfs/dbraw/zinc/05/32/50/889053250.db2.gz OMVRCSZDJSKVMO-RKDXNWHRSA-N 1 2 270.333 -1.708 20 0 CAADLO CNC(=O)C[N@@H+](C)CCNC(=O)[C@@H]1CC[C@H]1C(N)=O ZINC001399560220 889053262 /nfs/dbraw/zinc/05/32/62/889053262.db2.gz OMVRCSZDJSKVMO-RKDXNWHRSA-N 1 2 270.333 -1.708 20 0 CAADLO C[N@H+](CCNC(=O)c1cc2ncccn2n1)CC(N)=O ZINC001399594204 889053450 /nfs/dbraw/zinc/05/34/50/889053450.db2.gz LYTCUHWYZGTOBD-UHFFFAOYSA-N 1 2 276.300 -1.124 20 0 CAADLO C[N@@H+](CCNC(=O)c1cc2ncccn2n1)CC(N)=O ZINC001399594204 889053463 /nfs/dbraw/zinc/05/34/63/889053463.db2.gz LYTCUHWYZGTOBD-UHFFFAOYSA-N 1 2 276.300 -1.124 20 0 CAADLO CCNC(=O)C[N@H+](C)CCNC(=O)[C@@H](C)CC(N)=O ZINC001399558596 889053779 /nfs/dbraw/zinc/05/37/79/889053779.db2.gz KTCLYHPAFDMVKD-VIFPVBQESA-N 1 2 272.349 -1.318 20 0 CAADLO CCNC(=O)C[N@@H+](C)CCNC(=O)[C@@H](C)CC(N)=O ZINC001399558596 889053797 /nfs/dbraw/zinc/05/37/97/889053797.db2.gz KTCLYHPAFDMVKD-VIFPVBQESA-N 1 2 272.349 -1.318 20 0 CAADLO CCNC(=O)C[N@H+](C)CCNC(=O)[C@H](C)CC(N)=O ZINC001399558595 889053885 /nfs/dbraw/zinc/05/38/85/889053885.db2.gz KTCLYHPAFDMVKD-SECBINFHSA-N 1 2 272.349 -1.318 20 0 CAADLO CCNC(=O)C[N@@H+](C)CCNC(=O)[C@H](C)CC(N)=O ZINC001399558595 889053900 /nfs/dbraw/zinc/05/39/00/889053900.db2.gz KTCLYHPAFDMVKD-SECBINFHSA-N 1 2 272.349 -1.318 20 0 CAADLO CCCNC(=O)C[N@H+](C)CCNC(=O)c1nnn(C)n1 ZINC001399572290 889054837 /nfs/dbraw/zinc/05/48/37/889054837.db2.gz UXZHMYNWQISVKD-UHFFFAOYSA-N 1 2 283.336 -1.602 20 0 CAADLO CCCNC(=O)C[N@@H+](C)CCNC(=O)c1nnn(C)n1 ZINC001399572290 889054851 /nfs/dbraw/zinc/05/48/51/889054851.db2.gz UXZHMYNWQISVKD-UHFFFAOYSA-N 1 2 283.336 -1.602 20 0 CAADLO CNC(=O)C[N@H+](C)CCNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001399576511 889055052 /nfs/dbraw/zinc/05/50/52/889055052.db2.gz DRJJTYNEEDJYPD-ZETCQYMHSA-N 1 2 285.304 -2.622 20 0 CAADLO CNC(=O)C[N@@H+](C)CCNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001399576511 889055068 /nfs/dbraw/zinc/05/50/68/889055068.db2.gz DRJJTYNEEDJYPD-ZETCQYMHSA-N 1 2 285.304 -2.622 20 0 CAADLO C[N@H+](CCNC(=O)c1nc2ncccn2n1)CC(N)=O ZINC001399590622 889055122 /nfs/dbraw/zinc/05/51/22/889055122.db2.gz FFXXPOYYFITPMI-UHFFFAOYSA-N 1 2 277.288 -1.729 20 0 CAADLO C[N@@H+](CCNC(=O)c1nc2ncccn2n1)CC(N)=O ZINC001399590622 889055140 /nfs/dbraw/zinc/05/51/40/889055140.db2.gz FFXXPOYYFITPMI-UHFFFAOYSA-N 1 2 277.288 -1.729 20 0 CAADLO CCNC(=O)C[N@H+](C)CCNC(=O)[C@]1(C)CCC(=O)N1 ZINC001399568682 889055415 /nfs/dbraw/zinc/05/54/15/889055415.db2.gz OXWRAMSSQJIDME-ZDUSSCGKSA-N 1 2 284.360 -1.161 20 0 CAADLO CCNC(=O)C[N@@H+](C)CCNC(=O)[C@]1(C)CCC(=O)N1 ZINC001399568682 889055433 /nfs/dbraw/zinc/05/54/33/889055433.db2.gz OXWRAMSSQJIDME-ZDUSSCGKSA-N 1 2 284.360 -1.161 20 0 CAADLO CN1C[C@@H](C(=O)NCC[N@H+](C)CC(=O)N2CCC2)NC1=O ZINC001399561494 889055900 /nfs/dbraw/zinc/05/59/00/889055900.db2.gz SAFZJJGAYIKDKP-JTQLQIEISA-N 1 2 297.359 -1.710 20 0 CAADLO CN1C[C@@H](C(=O)NCC[N@@H+](C)CC(=O)N2CCC2)NC1=O ZINC001399561494 889055910 /nfs/dbraw/zinc/05/59/10/889055910.db2.gz SAFZJJGAYIKDKP-JTQLQIEISA-N 1 2 297.359 -1.710 20 0 CAADLO CNC(=O)C[N@H+](C)CCNC(=O)[C@H]1CC[C@@H]1C(N)=O ZINC001399560218 889056229 /nfs/dbraw/zinc/05/62/29/889056229.db2.gz OMVRCSZDJSKVMO-IUCAKERBSA-N 1 2 270.333 -1.708 20 0 CAADLO CNC(=O)C[N@@H+](C)CCNC(=O)[C@H]1CC[C@@H]1C(N)=O ZINC001399560218 889056237 /nfs/dbraw/zinc/05/62/37/889056237.db2.gz OMVRCSZDJSKVMO-IUCAKERBSA-N 1 2 270.333 -1.708 20 0 CAADLO CN(CCNC(=O)Cc1[nH]cc[nH+]1)Cc1nnnn1C ZINC001399591866 889056337 /nfs/dbraw/zinc/05/63/37/889056337.db2.gz KKVUTSYSCHCYHD-UHFFFAOYSA-N 1 2 278.320 -1.276 20 0 CAADLO C[N@H+](CCNC(=O)[C@@H]1CNC(=O)N1)CC(=O)N1CCCC1 ZINC001399574521 889056510 /nfs/dbraw/zinc/05/65/10/889056510.db2.gz VSBFNPAKJQXIIF-JTQLQIEISA-N 1 2 297.359 -1.662 20 0 CAADLO C[N@@H+](CCNC(=O)[C@@H]1CNC(=O)N1)CC(=O)N1CCCC1 ZINC001399574521 889056525 /nfs/dbraw/zinc/05/65/25/889056525.db2.gz VSBFNPAKJQXIIF-JTQLQIEISA-N 1 2 297.359 -1.662 20 0 CAADLO COCCC(=O)NC[C@@H](O)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001399741524 889059102 /nfs/dbraw/zinc/05/91/02/889059102.db2.gz HTGRYYPIYSYNHA-SNVBAGLBSA-N 1 2 284.316 -1.418 20 0 CAADLO CC(=O)NCC(=O)NC[C@@H](O)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001399763482 889061826 /nfs/dbraw/zinc/06/18/26/889061826.db2.gz KXTKEMAGNGCDST-VIFPVBQESA-N 1 2 297.315 -2.318 20 0 CAADLO CC(=O)NCC(=O)NC[C@H](O)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001399763479 889064205 /nfs/dbraw/zinc/06/42/05/889064205.db2.gz KXTKEMAGNGCDST-SECBINFHSA-N 1 2 297.315 -2.318 20 0 CAADLO O=C(Cc1[nH]cc[nH+]1)NC[C@H](O)CNC(=O)c1cocn1 ZINC001399789742 889068257 /nfs/dbraw/zinc/06/82/57/889068257.db2.gz FFLDUQWLGUWOAO-QMMMGPOBSA-N 1 2 293.283 -1.153 20 0 CAADLO O=C(Cn1cc[nH+]c1)NC[C@@H](O)CNC(=O)[C@H]1CCOC1 ZINC001399807204 889070034 /nfs/dbraw/zinc/07/00/34/889070034.db2.gz RPDHAVYJYRWYPD-WDEREUQCSA-N 1 2 296.327 -1.487 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)CCc1nnc[nH]1 ZINC001399836493 889072177 /nfs/dbraw/zinc/07/21/77/889072177.db2.gz PCMKNHQPMXRDCS-VIFPVBQESA-N 1 2 280.332 -1.197 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@H]1CNC(=O)CCc1nnc[nH]1 ZINC001399836493 889072191 /nfs/dbraw/zinc/07/21/91/889072191.db2.gz PCMKNHQPMXRDCS-VIFPVBQESA-N 1 2 280.332 -1.197 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)CCc1nnc[nH]1 ZINC001399836476 889072767 /nfs/dbraw/zinc/07/27/67/889072767.db2.gz PCMKNHQPMXRDCS-SECBINFHSA-N 1 2 280.332 -1.197 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)CCc1nnc[nH]1 ZINC001399836476 889072777 /nfs/dbraw/zinc/07/27/77/889072777.db2.gz PCMKNHQPMXRDCS-SECBINFHSA-N 1 2 280.332 -1.197 20 0 CAADLO C[C@H](CNC(=O)Cc1c[nH]c[nH+]1)NC(=O)Cn1ncnn1 ZINC001399968366 889080427 /nfs/dbraw/zinc/08/04/27/889080427.db2.gz HECKFAYTRQAEGS-MRVPVSSYSA-N 1 2 292.303 -1.740 20 0 CAADLO CC(=O)NCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2[C@H](C)C(N)=O ZINC001400095525 889091572 /nfs/dbraw/zinc/09/15/72/889091572.db2.gz GSONDVXORDJQFO-IEBDPFPHSA-N 1 2 282.344 -1.329 20 0 CAADLO CC(=O)NCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H](C)C(N)=O ZINC001400095525 889091588 /nfs/dbraw/zinc/09/15/88/889091588.db2.gz GSONDVXORDJQFO-IEBDPFPHSA-N 1 2 282.344 -1.329 20 0 CAADLO CCCN(C(=O)Cn1ncnn1)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001400125474 889092110 /nfs/dbraw/zinc/09/21/10/889092110.db2.gz BZGUPMQPOCOVKW-SNVBAGLBSA-N 1 2 295.347 -1.529 20 0 CAADLO CCCN(C(=O)Cn1ncnn1)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001400125474 889092123 /nfs/dbraw/zinc/09/21/23/889092123.db2.gz BZGUPMQPOCOVKW-SNVBAGLBSA-N 1 2 295.347 -1.529 20 0 CAADLO NC(=O)NC(=O)C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCCO2)C1 ZINC001400267275 889094423 /nfs/dbraw/zinc/09/44/23/889094423.db2.gz MTPRSKGKEABRBZ-NXEZZACHSA-N 1 2 298.343 -1.059 20 0 CAADLO NC(=O)NC(=O)C[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCCO2)C1 ZINC001400267275 889094432 /nfs/dbraw/zinc/09/44/32/889094432.db2.gz MTPRSKGKEABRBZ-NXEZZACHSA-N 1 2 298.343 -1.059 20 0 CAADLO C[C@@H](CNC(=O)Cn1nccn1)NC(=O)Cn1cc[nH+]c1 ZINC001400241284 889095615 /nfs/dbraw/zinc/09/56/15/889095615.db2.gz JMDYESGORWGSME-JTQLQIEISA-N 1 2 291.315 -1.204 20 0 CAADLO CNC(=O)NCC(=O)NC1C[NH+](CCc2ccnn2C)C1 ZINC001400335921 889098182 /nfs/dbraw/zinc/09/81/82/889098182.db2.gz PLMWVKSRSZPKLG-UHFFFAOYSA-N 1 2 294.359 -1.308 20 0 CAADLO NC(=O)NC(=O)C[N@@H+]1CCC[C@H](NC(=O)c2cn[nH]c2)C1 ZINC001400291516 889098401 /nfs/dbraw/zinc/09/84/01/889098401.db2.gz CEDGVSPGCUVNMW-VIFPVBQESA-N 1 2 294.315 -1.201 20 0 CAADLO NC(=O)NC(=O)C[N@H+]1CCC[C@H](NC(=O)c2cn[nH]c2)C1 ZINC001400291516 889098416 /nfs/dbraw/zinc/09/84/16/889098416.db2.gz CEDGVSPGCUVNMW-VIFPVBQESA-N 1 2 294.315 -1.201 20 0 CAADLO CC(=O)NCC(=O)NC1C[NH+](C[C@@H](O)Cn2cccn2)C1 ZINC001400323543 889099034 /nfs/dbraw/zinc/09/90/34/889099034.db2.gz XOVVCVBKCYNJAW-GFCCVEGCSA-N 1 2 295.343 -1.820 20 0 CAADLO CNC(=O)NCC(=O)NC1C[NH+](C[C@H](O)COC)C1 ZINC001400337724 889099612 /nfs/dbraw/zinc/09/96/12/889099612.db2.gz SROGAIHPAIBYMU-VIFPVBQESA-N 1 2 274.321 -2.277 20 0 CAADLO COC[C@H](O)C[NH+]1CC(NC(=O)Cn2cc(C)cn2)C1 ZINC001400324508 889099686 /nfs/dbraw/zinc/09/96/86/889099686.db2.gz NWXANKBPUKHSDZ-GFCCVEGCSA-N 1 2 282.344 -1.001 20 0 CAADLO C[C@H](NC(N)=O)C(=O)N[C@H]1CCC[N@@H+]([C@@H](C)C(N)=O)C1 ZINC001400290648 889100023 /nfs/dbraw/zinc/10/00/23/889100023.db2.gz AYWDBPZTNADIDC-CIUDSAMLSA-N 1 2 285.348 -1.502 20 0 CAADLO C[C@H](NC(N)=O)C(=O)N[C@H]1CCC[N@H+]([C@@H](C)C(N)=O)C1 ZINC001400290648 889100032 /nfs/dbraw/zinc/10/00/32/889100032.db2.gz AYWDBPZTNADIDC-CIUDSAMLSA-N 1 2 285.348 -1.502 20 0 CAADLO C[C@@H](O)C[NH+]1CC(NC(=O)CC[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001400382309 889101226 /nfs/dbraw/zinc/10/12/26/889101226.db2.gz SJDPAUOQEHQGFA-JLLWLGSASA-N 1 2 299.371 -1.019 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(NC(=O)c2cc(OC)n(C)n2)C1 ZINC001400380317 889102109 /nfs/dbraw/zinc/10/21/09/889102109.db2.gz XWWXEICIXCEYHR-JTQLQIEISA-N 1 2 298.343 -1.150 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(NC(=O)CO[C@H]2CCOC2)C1 ZINC001400342554 889102301 /nfs/dbraw/zinc/10/23/01/889102301.db2.gz AEMTUKVQQXCHIW-RYUDHWBXSA-N 1 2 288.344 -1.400 20 0 CAADLO CCC(=O)N[C@@H](C)C(=O)NC1C[NH+](C[C@H](O)COC)C1 ZINC001400338981 889102777 /nfs/dbraw/zinc/10/27/77/889102777.db2.gz CYBJYSVEUFMFHU-ONGXEEELSA-N 1 2 287.360 -1.291 20 0 CAADLO COC[C@H](O)C[NH+]1CC(NC(=O)C(C)(C)NC(C)=O)C1 ZINC001400409213 889104786 /nfs/dbraw/zinc/10/47/86/889104786.db2.gz KLWZOTNAKAZYKQ-LLVKDONJSA-N 1 2 287.360 -1.291 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(NC(=O)c2ccc(C(N)=O)[nH]2)C1 ZINC001400423448 889104896 /nfs/dbraw/zinc/10/48/96/889104896.db2.gz OVOIAJNBXAHFHP-VIFPVBQESA-N 1 2 296.327 -1.465 20 0 CAADLO COCC[NH+]1CC(NC(=O)C[C@H](NC(C)=O)C(N)=O)C1 ZINC001400405542 889104995 /nfs/dbraw/zinc/10/49/95/889104995.db2.gz UNRMGMLADPYMQL-JTQLQIEISA-N 1 2 286.332 -2.187 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(NC(=O)c2cccc(=O)n2C)C1 ZINC001400387923 889105378 /nfs/dbraw/zinc/10/53/78/889105378.db2.gz JKGGPMPDHIQMOJ-NSHDSACASA-N 1 2 295.339 -1.193 20 0 CAADLO COC[C@H](O)C[NH+]1CC(NC(=O)[C@]2(C)CCC(=O)N2)C1 ZINC001400389645 889105483 /nfs/dbraw/zinc/10/54/83/889105483.db2.gz MBXWTJAQDISZKE-MFKMUULPSA-N 1 2 285.344 -1.537 20 0 CAADLO COC[C@H](O)C[NH+]1CC(NC(=O)Cc2cncn2C)C1 ZINC001400421973 889105625 /nfs/dbraw/zinc/10/56/25/889105625.db2.gz NXNWYKDXIWHDQQ-GFCCVEGCSA-N 1 2 282.344 -1.230 20 0 CAADLO CNC(=O)C[NH+]1CC(CNC(=O)CCNC(=O)NC)C1 ZINC001400475882 889107199 /nfs/dbraw/zinc/10/71/99/889107199.db2.gz SHKOWZOZXLLGDU-UHFFFAOYSA-N 1 2 285.348 -1.901 20 0 CAADLO CCNC(=O)C[NH+]1CC(CNC(=O)c2cnn(C)c2N)C1 ZINC001400469578 889107488 /nfs/dbraw/zinc/10/74/88/889107488.db2.gz XRPHTCLNHJBBRT-UHFFFAOYSA-N 1 2 294.359 -1.200 20 0 CAADLO O=C(CCn1ccnn1)NCC1C[NH+]([C@@H]2CCNC2=O)C1 ZINC001400469689 889107837 /nfs/dbraw/zinc/10/78/37/889107837.db2.gz DEQWBHIKRVZQJR-LLVKDONJSA-N 1 2 292.343 -1.395 20 0 CAADLO O=C(CCC(=O)N1CCOCC1)NC1C[NH+](CCCO)C1 ZINC001400443033 889107870 /nfs/dbraw/zinc/10/78/70/889107870.db2.gz BFISZIKRNGUQKK-UHFFFAOYSA-N 1 2 299.371 -1.192 20 0 CAADLO C[C@H](C(=O)NC(N)=O)[NH+]1CC(CNC(=O)c2cn[nH]c2)C1 ZINC001400463239 889107928 /nfs/dbraw/zinc/10/79/28/889107928.db2.gz JTGYMUPNWDGOSJ-SSDOTTSWSA-N 1 2 294.315 -1.345 20 0 CAADLO NC(=O)NC(=O)CN1CC(NC(=O)Cn2cc[nH+]c2)C1 ZINC001400476215 889108023 /nfs/dbraw/zinc/10/80/23/889108023.db2.gz YWDOBHJYOLXVSG-UHFFFAOYSA-N 1 2 280.288 -2.122 20 0 CAADLO CNC(=O)C[NH+]1CC(CNC(=O)CN(C)C(=O)C2CC2)C1 ZINC001400470499 889108233 /nfs/dbraw/zinc/10/82/33/889108233.db2.gz LMBSRXSZYMHWEA-UHFFFAOYSA-N 1 2 296.371 -1.351 20 0 CAADLO CC(=O)NCC(=O)NCC1C[NH+](CC(=O)NCC(C)C)C1 ZINC001400459071 889108458 /nfs/dbraw/zinc/10/84/58/889108458.db2.gz BTSYJKQLWZOKMH-UHFFFAOYSA-N 1 2 298.387 -1.057 20 0 CAADLO CCNC(=O)C[NH+]1CC(CNC(=O)CO[C@H]2CCOC2)C1 ZINC001400468013 889108553 /nfs/dbraw/zinc/10/85/53/889108553.db2.gz HYIAPRVEOIYRKB-LBPRGKRZSA-N 1 2 299.371 -1.024 20 0 CAADLO CCOCC(=O)NCC1C[NH+](CC(=O)NC(=O)NC)C1 ZINC001400464666 889108629 /nfs/dbraw/zinc/10/86/29/889108629.db2.gz PVYSHLKDOFDZGC-UHFFFAOYSA-N 1 2 286.332 -1.474 20 0 CAADLO NC(=O)NC(=O)C[NH+]1CC(CNC(=O)c2cscn2)C1 ZINC001400475148 889108904 /nfs/dbraw/zinc/10/89/04/889108904.db2.gz POZHOCOLQHLTKI-UHFFFAOYSA-N 1 2 297.340 -1.000 20 0 CAADLO COC[C@@H](OC)C(=O)NCC1C[NH+]([C@@H](C)C(N)=O)C1 ZINC001400533531 889110112 /nfs/dbraw/zinc/11/01/12/889110112.db2.gz PTTQSQLWFZADSX-WCBMZHEXSA-N 1 2 273.333 -1.430 20 0 CAADLO Cc1nonc1CC(=O)NCC1C[NH+]([C@H]2CCNC2=O)C1 ZINC001400539432 889110179 /nfs/dbraw/zinc/11/01/79/889110179.db2.gz IWKZZSNZXWRFBP-NSHDSACASA-N 1 2 293.327 -1.143 20 0 CAADLO Cc1nonc1CC(=O)NCC1C[NH+]([C@@H]2CCNC2=O)C1 ZINC001400539425 889110302 /nfs/dbraw/zinc/11/03/02/889110302.db2.gz IWKZZSNZXWRFBP-LLVKDONJSA-N 1 2 293.327 -1.143 20 0 CAADLO C[C@@H](C(N)=O)[NH+]1CC(CNC(=O)C[C@@H]2CCCC(=O)N2)C1 ZINC001400518039 889110543 /nfs/dbraw/zinc/11/05/43/889110543.db2.gz ZJDOQXDTDMGPGS-ONGXEEELSA-N 1 2 296.371 -1.033 20 0 CAADLO CNC(=O)C[NH+]1CC(CNC(=O)[C@@H](C)CC(N)=O)C1 ZINC001400509516 889110620 /nfs/dbraw/zinc/11/06/20/889110620.db2.gz CVMLPWFBCCWCHW-QMMMGPOBSA-N 1 2 270.333 -1.708 20 0 CAADLO C[C@H](C(N)=O)[NH+]1CC(CNC(=O)C[C@@H]2CCCC(=O)N2)C1 ZINC001400518025 889111394 /nfs/dbraw/zinc/11/13/94/889111394.db2.gz ZJDOQXDTDMGPGS-KOLCDFICSA-N 1 2 296.371 -1.033 20 0 CAADLO CCCNC(=O)C[NH+]1CC(CNC(=O)c2nnn(C)n2)C1 ZINC001400510142 889111530 /nfs/dbraw/zinc/11/15/30/889111530.db2.gz GGBLXCPFRYOYGD-UHFFFAOYSA-N 1 2 295.347 -1.602 20 0 CAADLO CNC(=O)C[NH+]1CC(CNC(=O)CCN2CCCC2=O)C1 ZINC001400564492 889111739 /nfs/dbraw/zinc/11/17/39/889111739.db2.gz OCYYOIGKRXOJHH-UHFFFAOYSA-N 1 2 296.371 -1.207 20 0 CAADLO CC[C@H](C(N)=O)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCNC(N)=O ZINC001400591961 889113936 /nfs/dbraw/zinc/11/39/36/889113936.db2.gz PZJTZQZRTAQPIK-LPEHRKFASA-N 1 2 297.359 -1.406 20 0 CAADLO CC[C@H](C(N)=O)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCNC(N)=O ZINC001400591961 889113941 /nfs/dbraw/zinc/11/39/41/889113941.db2.gz PZJTZQZRTAQPIK-LPEHRKFASA-N 1 2 297.359 -1.406 20 0 CAADLO CC(=O)N(C)CC(=O)N[C@H]1CC[N@H+](Cc2cnnn2C)C1 ZINC001400592259 889114105 /nfs/dbraw/zinc/11/41/05/889114105.db2.gz SNLGKMSTKUGAEF-NSHDSACASA-N 1 2 294.359 -1.016 20 0 CAADLO CC(=O)N(C)CC(=O)N[C@H]1CC[N@@H+](Cc2cnnn2C)C1 ZINC001400592259 889114112 /nfs/dbraw/zinc/11/41/12/889114112.db2.gz SNLGKMSTKUGAEF-NSHDSACASA-N 1 2 294.359 -1.016 20 0 CAADLO CCNC(=O)CCCC(=O)N[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001400687680 889114322 /nfs/dbraw/zinc/11/43/22/889114322.db2.gz AHZYNBUOJTWRGM-SNVBAGLBSA-N 1 2 284.360 -1.031 20 0 CAADLO CCNC(=O)CCCC(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001400687680 889114331 /nfs/dbraw/zinc/11/43/31/889114331.db2.gz AHZYNBUOJTWRGM-SNVBAGLBSA-N 1 2 284.360 -1.031 20 0 CAADLO CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2COCCO2)C1 ZINC001400593335 889114382 /nfs/dbraw/zinc/11/43/82/889114382.db2.gz ZGHOGHUNPKNYBX-QWRGUYRKSA-N 1 2 285.344 -1.272 20 0 CAADLO CCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H]2COCCO2)C1 ZINC001400593335 889114389 /nfs/dbraw/zinc/11/43/89/889114389.db2.gz ZGHOGHUNPKNYBX-QWRGUYRKSA-N 1 2 285.344 -1.272 20 0 CAADLO Cn1cnc(C(=O)N[C@@H]2CC[N@H+](CC(=O)NC(N)=O)C2)c1 ZINC001400649080 889114732 /nfs/dbraw/zinc/11/47/32/889114732.db2.gz KFPOGUWAKFOVFG-MRVPVSSYSA-N 1 2 294.315 -1.581 20 0 CAADLO Cn1cnc(C(=O)N[C@@H]2CC[N@@H+](CC(=O)NC(N)=O)C2)c1 ZINC001400649080 889114734 /nfs/dbraw/zinc/11/47/34/889114734.db2.gz KFPOGUWAKFOVFG-MRVPVSSYSA-N 1 2 294.315 -1.581 20 0 CAADLO CNC(=O)NC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCO2)C1 ZINC001400647397 889115018 /nfs/dbraw/zinc/11/50/18/889115018.db2.gz BYHGGUIQUIABEN-ZJUUUORDSA-N 1 2 298.343 -1.189 20 0 CAADLO CNC(=O)NC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCO2)C1 ZINC001400647397 889115023 /nfs/dbraw/zinc/11/50/23/889115023.db2.gz BYHGGUIQUIABEN-ZJUUUORDSA-N 1 2 298.343 -1.189 20 0 CAADLO CNC(=O)NC(=O)C[N@@H+]1CC[C@H](NC(=O)CCOC)C1 ZINC001400589705 889116245 /nfs/dbraw/zinc/11/62/45/889116245.db2.gz LCNACDDEWWTISZ-VIFPVBQESA-N 1 2 286.332 -1.331 20 0 CAADLO CNC(=O)NC(=O)C[N@H+]1CC[C@H](NC(=O)CCOC)C1 ZINC001400589705 889116251 /nfs/dbraw/zinc/11/62/51/889116251.db2.gz LCNACDDEWWTISZ-VIFPVBQESA-N 1 2 286.332 -1.331 20 0 CAADLO CO[C@@H](C)C(=O)N[C@H]1CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001400605692 889116281 /nfs/dbraw/zinc/11/62/81/889116281.db2.gz NOZBYVIKVLCQLB-YUMQZZPRSA-N 1 2 272.305 -1.593 20 0 CAADLO CO[C@@H](C)C(=O)N[C@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001400605692 889116289 /nfs/dbraw/zinc/11/62/89/889116289.db2.gz NOZBYVIKVLCQLB-YUMQZZPRSA-N 1 2 272.305 -1.593 20 0 CAADLO C[C@]1(C(=O)N[C@H]2CC[N@H+](CC(=O)NC(N)=O)C2)CCOC1 ZINC001400630794 889116352 /nfs/dbraw/zinc/11/63/52/889116352.db2.gz NGRGOCPMQYYDNY-ZANVPECISA-N 1 2 298.343 -1.202 20 0 CAADLO C[C@]1(C(=O)N[C@H]2CC[N@@H+](CC(=O)NC(N)=O)C2)CCOC1 ZINC001400630794 889116358 /nfs/dbraw/zinc/11/63/58/889116358.db2.gz NGRGOCPMQYYDNY-ZANVPECISA-N 1 2 298.343 -1.202 20 0 CAADLO COCC(=O)NCCC(=O)N[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001400621096 889116462 /nfs/dbraw/zinc/11/64/62/889116462.db2.gz AEAFFTSGQMBDAM-VIFPVBQESA-N 1 2 286.332 -2.185 20 0 CAADLO COCC(=O)NCCC(=O)N[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001400621096 889116470 /nfs/dbraw/zinc/11/64/70/889116470.db2.gz AEAFFTSGQMBDAM-VIFPVBQESA-N 1 2 286.332 -2.185 20 0 CAADLO CN(C(=O)C(F)F)[C@@H]1CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001400693106 889119454 /nfs/dbraw/zinc/11/94/54/889119454.db2.gz VZHALNQNAORFFP-ZCFIWIBFSA-N 1 2 278.259 -1.021 20 0 CAADLO CN(C(=O)C(F)F)[C@@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001400693106 889119460 /nfs/dbraw/zinc/11/94/60/889119460.db2.gz VZHALNQNAORFFP-ZCFIWIBFSA-N 1 2 278.259 -1.021 20 0 CAADLO CC(=O)NCC(=O)N1CC(N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC001400760688 889119876 /nfs/dbraw/zinc/11/98/76/889119876.db2.gz QZUKELOCUFUAJG-UHFFFAOYSA-N 1 2 293.327 -1.312 20 0 CAADLO C[C@@]1(C(=O)NC[C@H]2C[N@H+](CCO)CCO2)CCC(=O)N1 ZINC001401166069 889127382 /nfs/dbraw/zinc/12/73/82/889127382.db2.gz QGFPHLMLZVLVRY-GWCFXTLKSA-N 1 2 285.344 -1.536 20 0 CAADLO C[C@@]1(C(=O)NC[C@H]2C[N@@H+](CCO)CCO2)CCC(=O)N1 ZINC001401166069 889127388 /nfs/dbraw/zinc/12/73/88/889127388.db2.gz QGFPHLMLZVLVRY-GWCFXTLKSA-N 1 2 285.344 -1.536 20 0 CAADLO C[C@@]1(C(=O)NC[C@@H]2C[N@H+](CCO)CCO2)CCC(=O)N1 ZINC001401166074 889127460 /nfs/dbraw/zinc/12/74/60/889127460.db2.gz QGFPHLMLZVLVRY-MFKMUULPSA-N 1 2 285.344 -1.536 20 0 CAADLO C[C@@]1(C(=O)NC[C@@H]2C[N@@H+](CCO)CCO2)CCC(=O)N1 ZINC001401166074 889127468 /nfs/dbraw/zinc/12/74/68/889127468.db2.gz QGFPHLMLZVLVRY-MFKMUULPSA-N 1 2 285.344 -1.536 20 0 CAADLO CNC(=O)C[N@H+](C)CCN(C)C(=O)[C@@H](COC)OC ZINC001401383025 889134042 /nfs/dbraw/zinc/13/40/42/889134042.db2.gz LPYJMUXIESYVCY-SNVBAGLBSA-N 1 2 275.349 -1.216 20 0 CAADLO CNC(=O)C[N@@H+](C)CCN(C)C(=O)[C@@H](COC)OC ZINC001401383025 889134051 /nfs/dbraw/zinc/13/40/51/889134051.db2.gz LPYJMUXIESYVCY-SNVBAGLBSA-N 1 2 275.349 -1.216 20 0 CAADLO CN(CC[N@H+](C)Cc1cnnn1C)C(=O)[C@H]1CNC(=O)N1 ZINC001401387533 889134866 /nfs/dbraw/zinc/13/48/66/889134866.db2.gz YWRKDUGCJBQSHJ-SNVBAGLBSA-N 1 2 295.347 -1.613 20 0 CAADLO CN(CC[N@@H+](C)Cc1cnnn1C)C(=O)[C@H]1CNC(=O)N1 ZINC001401387533 889134876 /nfs/dbraw/zinc/13/48/76/889134876.db2.gz YWRKDUGCJBQSHJ-SNVBAGLBSA-N 1 2 295.347 -1.613 20 0 CAADLO CN(CC[N@H+](C)CC(N)=O)C(=O)c1cn(C)c(=O)[nH]c1=O ZINC001401432837 889134967 /nfs/dbraw/zinc/13/49/67/889134967.db2.gz BRYGJFDNLZBKHJ-UHFFFAOYSA-N 1 2 297.315 -2.025 20 0 CAADLO CN(CC[N@@H+](C)CC(N)=O)C(=O)c1cn(C)c(=O)[nH]c1=O ZINC001401432837 889134977 /nfs/dbraw/zinc/13/49/77/889134977.db2.gz BRYGJFDNLZBKHJ-UHFFFAOYSA-N 1 2 297.315 -2.025 20 0 CAADLO CNC(=O)C[N@H+](C)CCN(C)C(=O)c1ccc(C(N)=O)[nH]1 ZINC001401399249 889136231 /nfs/dbraw/zinc/13/62/31/889136231.db2.gz SZRODKMKTNCICO-UHFFFAOYSA-N 1 2 295.343 -1.137 20 0 CAADLO CNC(=O)C[N@@H+](C)CCN(C)C(=O)c1ccc(C(N)=O)[nH]1 ZINC001401399249 889136241 /nfs/dbraw/zinc/13/62/41/889136241.db2.gz SZRODKMKTNCICO-UHFFFAOYSA-N 1 2 295.343 -1.137 20 0 CAADLO CN(CC[N@H+](C)CC(N)=O)C(=O)c1ccoc1CC(N)=O ZINC001401389864 889136733 /nfs/dbraw/zinc/13/67/33/889136733.db2.gz NYANPUIWDFPXMQ-UHFFFAOYSA-N 1 2 296.327 -1.204 20 0 CAADLO CN(CC[N@@H+](C)CC(N)=O)C(=O)c1ccoc1CC(N)=O ZINC001401389864 889136737 /nfs/dbraw/zinc/13/67/37/889136737.db2.gz NYANPUIWDFPXMQ-UHFFFAOYSA-N 1 2 296.327 -1.204 20 0 CAADLO CCc1nnc(C[NH2+]C[C@@H](O)CNC(=O)CNC(C)=O)o1 ZINC001401487152 889140630 /nfs/dbraw/zinc/14/06/30/889140630.db2.gz PONDKVXBOCBBMD-SECBINFHSA-N 1 2 299.331 -1.665 20 0 CAADLO Cc1noc(C[NH2+]C[C@@H](O)CNC(=O)c2ncn(C)n2)n1 ZINC001401501529 889147053 /nfs/dbraw/zinc/14/70/53/889147053.db2.gz DZTUCBPLWKMYSE-MRVPVSSYSA-N 1 2 295.303 -1.613 20 0 CAADLO Cc1nnc(C[NH2+]C[C@@H](O)CNC(=O)c2cn(C)nn2)o1 ZINC001401498277 889147171 /nfs/dbraw/zinc/14/71/71/889147171.db2.gz BBAYQJRKPZLRGL-MRVPVSSYSA-N 1 2 295.303 -1.613 20 0 CAADLO CN(C)S(=O)(=O)CC(=O)N(C)CC[N@H+](C)CC(N)=O ZINC001401537379 889153150 /nfs/dbraw/zinc/15/31/50/889153150.db2.gz YQVFSMOLVIRCKW-UHFFFAOYSA-N 1 2 294.377 -2.247 20 0 CAADLO CN(C)S(=O)(=O)CC(=O)N(C)CC[N@@H+](C)CC(N)=O ZINC001401537379 889153156 /nfs/dbraw/zinc/15/31/56/889153156.db2.gz YQVFSMOLVIRCKW-UHFFFAOYSA-N 1 2 294.377 -2.247 20 0 CAADLO Cc1nnc(C[NH2+]C[C@H](O)CNC(=O)c2cnon2)o1 ZINC001401569182 889161539 /nfs/dbraw/zinc/16/15/39/889161539.db2.gz BRYVPVVJBNRUFQ-ZETCQYMHSA-N 1 2 282.260 -1.358 20 0 CAADLO O=C(NC[C@@H](O)C[NH2+]Cc1cnns1)c1cnn[nH]1 ZINC001401569845 889161605 /nfs/dbraw/zinc/16/16/05/889161605.db2.gz SGOUWTKJNNFJKW-LURJTMIESA-N 1 2 283.317 -1.463 20 0 CAADLO CCn1ncc(C[NH2+]C[C@H](O)CNC(=O)c2cn[nH]n2)n1 ZINC001401567631 889161751 /nfs/dbraw/zinc/16/17/51/889161751.db2.gz RIAPXLMQUUYFQQ-VIFPVBQESA-N 1 2 294.319 -1.703 20 0 CAADLO CCn1ncc(C[NH2+]C[C@H](O)CNC(=O)c2cnn[nH]2)n1 ZINC001401567631 889161761 /nfs/dbraw/zinc/16/17/61/889161761.db2.gz RIAPXLMQUUYFQQ-VIFPVBQESA-N 1 2 294.319 -1.703 20 0 CAADLO Cc1cnc(C[NH2+]C[C@H](O)CNC(=O)c2nnc[nH]2)nc1 ZINC001401580919 889163741 /nfs/dbraw/zinc/16/37/41/889163741.db2.gz NNTCYYYYHYCKJE-VIFPVBQESA-N 1 2 291.315 -1.216 20 0 CAADLO Cc1cc(C[NH2+]C[C@@H](O)CNC(=O)c2nnc[nH]2)no1 ZINC001401577910 889165196 /nfs/dbraw/zinc/16/51/96/889165196.db2.gz KJOPDNDBPYRBGC-SECBINFHSA-N 1 2 280.288 -1.018 20 0 CAADLO O=C(NC[C@H](O)C[NH2+]Cc1ncccn1)c1cn[nH]n1 ZINC001401577222 889165512 /nfs/dbraw/zinc/16/55/12/889165512.db2.gz YNXUPLMJJQQDHG-MRVPVSSYSA-N 1 2 277.288 -1.525 20 0 CAADLO Cn1cnnc1C[NH2+]C[C@@H](O)CNC(=O)c1nnc[nH]1 ZINC001401582807 889165800 /nfs/dbraw/zinc/16/58/00/889165800.db2.gz PDJPPGBJDWVBLG-SSDOTTSWSA-N 1 2 280.292 -2.186 20 0 CAADLO Cn1cnnc1C[NH2+]C[C@@H](O)CNC(=O)c1ncn[nH]1 ZINC001401582807 889165814 /nfs/dbraw/zinc/16/58/14/889165814.db2.gz PDJPPGBJDWVBLG-SSDOTTSWSA-N 1 2 280.292 -2.186 20 0 CAADLO CC(=O)NC[C@H](O)C[NH2+]Cc1cc(=O)n2[nH]ccc2n1 ZINC001401618499 889170874 /nfs/dbraw/zinc/17/08/74/889170874.db2.gz OFOSNSGIHPUWNU-SNVBAGLBSA-N 1 2 279.300 -1.391 20 0 CAADLO C[C@H](C[NH2+]Cc1nncn1C)NC(=O)Cc1nnc[nH]1 ZINC001401658143 889173940 /nfs/dbraw/zinc/17/39/40/889173940.db2.gz USBCWOOKSMFELR-MRVPVSSYSA-N 1 2 278.320 -1.230 20 0 CAADLO COC[C@H](O)C[N@@H+]1CC[C@@H]1CNC(=O)CCc1nc[nH]n1 ZINC001401879556 889188705 /nfs/dbraw/zinc/18/87/05/889188705.db2.gz RXIHZZBQMMNANB-GHMZBOCLSA-N 1 2 297.359 -1.065 20 0 CAADLO COC[C@H](O)C[N@H+]1CC[C@@H]1CNC(=O)CCc1nc[nH]n1 ZINC001401879556 889188715 /nfs/dbraw/zinc/18/87/15/889188715.db2.gz RXIHZZBQMMNANB-GHMZBOCLSA-N 1 2 297.359 -1.065 20 0 CAADLO CC[C@H](C(N)=O)[N@@H+]1CC[C@H]1CNC(=O)CN(C)C(C)=O ZINC001401872282 889189250 /nfs/dbraw/zinc/18/92/50/889189250.db2.gz CRVMWGJPXXMVQF-WDEREUQCSA-N 1 2 284.360 -1.081 20 0 CAADLO CC[C@H](C(N)=O)[N@H+]1CC[C@H]1CNC(=O)CN(C)C(C)=O ZINC001401872282 889189262 /nfs/dbraw/zinc/18/92/62/889189262.db2.gz CRVMWGJPXXMVQF-WDEREUQCSA-N 1 2 284.360 -1.081 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+]1CC[C@@H]1CNC(=O)CNC(=O)C1CC1 ZINC001401868976 889189793 /nfs/dbraw/zinc/18/97/93/889189793.db2.gz MQSLMXDOWVYDCT-GXSJLCMTSA-N 1 2 296.371 -1.162 20 0 CAADLO CNC(=O)[C@H](C)[N@H+]1CC[C@@H]1CNC(=O)CNC(=O)C1CC1 ZINC001401868976 889189805 /nfs/dbraw/zinc/18/98/05/889189805.db2.gz MQSLMXDOWVYDCT-GXSJLCMTSA-N 1 2 296.371 -1.162 20 0 CAADLO Cn1c[nH+]cc1CN1CC[C@H]1CNC(=O)Cn1ncnn1 ZINC001401890644 889190248 /nfs/dbraw/zinc/19/02/48/889190248.db2.gz MQNOXWFYQFYDED-JTQLQIEISA-N 1 2 290.331 -1.203 20 0 CAADLO CC[C@H](C(N)=O)[N@@H+]1CC[C@H]1CNC(=O)Cn1ncnn1 ZINC001401885638 889190308 /nfs/dbraw/zinc/19/03/08/889190308.db2.gz FVZYPQCNWGFKCY-DTWKUNHWSA-N 1 2 281.320 -1.873 20 0 CAADLO CC[C@H](C(N)=O)[N@H+]1CC[C@H]1CNC(=O)Cn1ncnn1 ZINC001401885638 889190311 /nfs/dbraw/zinc/19/03/11/889190311.db2.gz FVZYPQCNWGFKCY-DTWKUNHWSA-N 1 2 281.320 -1.873 20 0 CAADLO CC[C@H](C(N)=O)[N@@H+]1CC[C@@H]1CNC(=O)CN(C)C(C)=O ZINC001401872275 889190447 /nfs/dbraw/zinc/19/04/47/889190447.db2.gz CRVMWGJPXXMVQF-GHMZBOCLSA-N 1 2 284.360 -1.081 20 0 CAADLO CC[C@H](C(N)=O)[N@H+]1CC[C@@H]1CNC(=O)CN(C)C(C)=O ZINC001401872275 889190449 /nfs/dbraw/zinc/19/04/49/889190449.db2.gz CRVMWGJPXXMVQF-GHMZBOCLSA-N 1 2 284.360 -1.081 20 0 CAADLO C[C@H](NC(N)=O)C(=O)NC[C@@H]1CC[N@@H+]1CC(=O)N(C)C ZINC001401897722 889190917 /nfs/dbraw/zinc/19/09/17/889190917.db2.gz QZWNWNSGLKDXQD-IUCAKERBSA-N 1 2 285.348 -1.678 20 0 CAADLO C[C@H](NC(N)=O)C(=O)NC[C@@H]1CC[N@H+]1CC(=O)N(C)C ZINC001401897722 889190925 /nfs/dbraw/zinc/19/09/25/889190925.db2.gz QZWNWNSGLKDXQD-IUCAKERBSA-N 1 2 285.348 -1.678 20 0 CAADLO CN(C)C(=O)C[N@@H+]1CC[C@@H]1CNC(=O)Cn1cnnn1 ZINC001401874594 889191289 /nfs/dbraw/zinc/19/12/89/889191289.db2.gz UYSQXNPXPUXOTM-SECBINFHSA-N 1 2 281.320 -2.048 20 0 CAADLO CN(C)C(=O)C[N@H+]1CC[C@@H]1CNC(=O)Cn1cnnn1 ZINC001401874594 889191302 /nfs/dbraw/zinc/19/13/02/889191302.db2.gz UYSQXNPXPUXOTM-SECBINFHSA-N 1 2 281.320 -2.048 20 0 CAADLO CC[C@@H](C(N)=O)[N@@H+]1CC[C@H]1CNC(=O)CN(C)C(C)=O ZINC001401872281 889191618 /nfs/dbraw/zinc/19/16/18/889191618.db2.gz CRVMWGJPXXMVQF-QWRGUYRKSA-N 1 2 284.360 -1.081 20 0 CAADLO CC[C@@H](C(N)=O)[N@H+]1CC[C@H]1CNC(=O)CN(C)C(C)=O ZINC001401872281 889191631 /nfs/dbraw/zinc/19/16/31/889191631.db2.gz CRVMWGJPXXMVQF-QWRGUYRKSA-N 1 2 284.360 -1.081 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CC[C@H]1CNC(=O)CCc1cn(C)nn1 ZINC001401913498 889193069 /nfs/dbraw/zinc/19/30/69/889193069.db2.gz IPMZBKYKCBSKCM-ONGXEEELSA-N 1 2 294.359 -1.188 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CC[C@H]1CNC(=O)CCc1cn(C)nn1 ZINC001401913498 889193077 /nfs/dbraw/zinc/19/30/77/889193077.db2.gz IPMZBKYKCBSKCM-ONGXEEELSA-N 1 2 294.359 -1.188 20 0 CAADLO CN(C)C(=O)C[N@@H+]1CC[C@H]1CNC(=O)CCn1cnnn1 ZINC001401932900 889193385 /nfs/dbraw/zinc/19/33/85/889193385.db2.gz ZJXREZMEQRTULJ-JTQLQIEISA-N 1 2 295.347 -1.658 20 0 CAADLO CN(C)C(=O)C[N@H+]1CC[C@H]1CNC(=O)CCn1cnnn1 ZINC001401932900 889193395 /nfs/dbraw/zinc/19/33/95/889193395.db2.gz ZJXREZMEQRTULJ-JTQLQIEISA-N 1 2 295.347 -1.658 20 0 CAADLO CCC[C@H](C(=O)NC[C@H]1CC[N@@H+]1CCO)S(N)(=O)=O ZINC001401901004 889194412 /nfs/dbraw/zinc/19/44/12/889194412.db2.gz SEEYASRBEVDQIC-NXEZZACHSA-N 1 2 293.389 -1.374 20 0 CAADLO CCC[C@H](C(=O)NC[C@H]1CC[N@H+]1CCO)S(N)(=O)=O ZINC001401901004 889194417 /nfs/dbraw/zinc/19/44/17/889194417.db2.gz SEEYASRBEVDQIC-NXEZZACHSA-N 1 2 293.389 -1.374 20 0 CAADLO COC[C@@H](O)C[N@@H+]1CC[C@@H]1CNC(=O)Cc1nnc[nH]1 ZINC001401930060 889194520 /nfs/dbraw/zinc/19/45/20/889194520.db2.gz QBIYVQVSIHAWTD-ZJUUUORDSA-N 1 2 283.332 -1.455 20 0 CAADLO COC[C@@H](O)C[N@H+]1CC[C@@H]1CNC(=O)Cc1nnc[nH]1 ZINC001401930060 889194524 /nfs/dbraw/zinc/19/45/24/889194524.db2.gz QBIYVQVSIHAWTD-ZJUUUORDSA-N 1 2 283.332 -1.455 20 0 CAADLO CCC[C@H](C(=O)NC[C@@H]1CC[N@@H+]1CCO)S(N)(=O)=O ZINC001401901007 889194911 /nfs/dbraw/zinc/19/49/11/889194911.db2.gz SEEYASRBEVDQIC-VHSXEESVSA-N 1 2 293.389 -1.374 20 0 CAADLO CCC[C@H](C(=O)NC[C@@H]1CC[N@H+]1CCO)S(N)(=O)=O ZINC001401901007 889194914 /nfs/dbraw/zinc/19/49/14/889194914.db2.gz SEEYASRBEVDQIC-VHSXEESVSA-N 1 2 293.389 -1.374 20 0 CAADLO CC(=O)N(C)CC(=O)N(C)C1C[NH+](CCn2cncn2)C1 ZINC001401996342 889195790 /nfs/dbraw/zinc/19/57/90/889195790.db2.gz HGTJVSZDARAMPY-UHFFFAOYSA-N 1 2 294.359 -1.101 20 0 CAADLO Cn1ncc(C[NH2+]C2(CNC(=O)[C@H]3CNC(=O)N3)CC2)n1 ZINC001402016562 889196477 /nfs/dbraw/zinc/19/64/77/889196477.db2.gz DEFCPMDQWUBXDW-SECBINFHSA-N 1 2 293.331 -1.765 20 0 CAADLO Cc1nnc(C[NH2+]C2(CNC(=O)[C@H]3C[C@H]3C(N)=O)CC2)[nH]1 ZINC001401969833 889196660 /nfs/dbraw/zinc/19/66/60/889196660.db2.gz ZDWORQPNNZYDRL-BDAKNGLRSA-N 1 2 292.343 -1.027 20 0 CAADLO CN1C[C@H](C(=O)NCC2([NH2+]Cc3cnon3)CC2)NC1=O ZINC001401972095 889197582 /nfs/dbraw/zinc/19/75/82/889197582.db2.gz MJIJLJNTPYAROU-SECBINFHSA-N 1 2 294.315 -1.168 20 0 CAADLO CNS(=O)(=O)CC(=O)N(C)C1C[NH+](C[C@H](C)O)C1 ZINC001402032709 889199462 /nfs/dbraw/zinc/19/94/62/889199462.db2.gz JYUMKQFFPVYFRW-QMMMGPOBSA-N 1 2 279.362 -1.941 20 0 CAADLO CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001402094524 889199951 /nfs/dbraw/zinc/19/99/51/889199951.db2.gz QEHLIJNPPTWNSV-AXFHLTTASA-N 1 2 296.371 -1.176 20 0 CAADLO CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001402094524 889199963 /nfs/dbraw/zinc/19/99/63/889199963.db2.gz QEHLIJNPPTWNSV-AXFHLTTASA-N 1 2 296.371 -1.176 20 0 CAADLO CCC(=O)NCC[NH+]1CCN(Cc2nnn(C)n2)CC1 ZINC001402097573 889200215 /nfs/dbraw/zinc/20/02/15/889200215.db2.gz RABPNQGWJURVTA-UHFFFAOYSA-N 1 2 281.364 -1.146 20 0 CAADLO C[C@@]1(NC(=O)CCc2nnc[nH]2)CC[N@H+](CC(N)=O)C1 ZINC001402146555 889203993 /nfs/dbraw/zinc/20/39/93/889203993.db2.gz XEBKASONKYSOSW-GFCCVEGCSA-N 1 2 280.332 -1.197 20 0 CAADLO C[C@@]1(NC(=O)CCc2nnc[nH]2)CC[N@@H+](CC(N)=O)C1 ZINC001402146555 889204007 /nfs/dbraw/zinc/20/40/07/889204007.db2.gz XEBKASONKYSOSW-GFCCVEGCSA-N 1 2 280.332 -1.197 20 0 CAADLO CNS(=O)(=O)NCC(=O)N[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001402180482 889204321 /nfs/dbraw/zinc/20/43/21/889204321.db2.gz AQJQMFUDSUBNQB-SSDOTTSWSA-N 1 2 293.349 -3.284 20 0 CAADLO CNS(=O)(=O)NCC(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001402180482 889204330 /nfs/dbraw/zinc/20/43/30/889204330.db2.gz AQJQMFUDSUBNQB-SSDOTTSWSA-N 1 2 293.349 -3.284 20 0 CAADLO CC(C)NC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC(=O)N2)C1 ZINC001402169303 889204483 /nfs/dbraw/zinc/20/44/83/889204483.db2.gz CTLQLFIDMPFUQY-WDEREUQCSA-N 1 2 296.371 -1.020 20 0 CAADLO CC(C)NC(=O)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCC(=O)N2)C1 ZINC001402169303 889204494 /nfs/dbraw/zinc/20/44/94/889204494.db2.gz CTLQLFIDMPFUQY-WDEREUQCSA-N 1 2 296.371 -1.020 20 0 CAADLO Cc1nc(CC(=O)NCCN2CC[NH+](CCO)CC2)n[nH]1 ZINC001402122960 889204857 /nfs/dbraw/zinc/20/48/57/889204857.db2.gz ZPAVPGNFAVRVOB-UHFFFAOYSA-N 1 2 296.375 -1.618 20 0 CAADLO NC(=O)NC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cn[nH]c2)C1 ZINC001402152076 889207291 /nfs/dbraw/zinc/20/72/91/889207291.db2.gz AIMSJNRGDSAJIT-MRVPVSSYSA-N 1 2 280.288 -1.591 20 0 CAADLO NC(=O)NC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cn[nH]c2)C1 ZINC001402152076 889207306 /nfs/dbraw/zinc/20/73/06/889207306.db2.gz AIMSJNRGDSAJIT-MRVPVSSYSA-N 1 2 280.288 -1.591 20 0 CAADLO NC(=O)NC(=O)C[N@@H+]1CC[C@H](NC(=O)C2=CCOCC2)C1 ZINC001402164035 889207836 /nfs/dbraw/zinc/20/78/36/889207836.db2.gz HFNBVFMRYIZACZ-JTQLQIEISA-N 1 2 296.327 -1.282 20 0 CAADLO NC(=O)NC(=O)C[N@H+]1CC[C@H](NC(=O)C2=CCOCC2)C1 ZINC001402164035 889207851 /nfs/dbraw/zinc/20/78/51/889207851.db2.gz HFNBVFMRYIZACZ-JTQLQIEISA-N 1 2 296.327 -1.282 20 0 CAADLO COCCC(=O)NC[C@@]1(O)CC[N@H+](Cc2cn(C)nn2)C1 ZINC001402249373 889212087 /nfs/dbraw/zinc/21/20/87/889212087.db2.gz PRXAXCZHFUBAMQ-ZDUSSCGKSA-N 1 2 297.359 -1.095 20 0 CAADLO COCCC(=O)NC[C@@]1(O)CC[N@@H+](Cc2cn(C)nn2)C1 ZINC001402249373 889212106 /nfs/dbraw/zinc/21/21/06/889212106.db2.gz PRXAXCZHFUBAMQ-ZDUSSCGKSA-N 1 2 297.359 -1.095 20 0 CAADLO CCC(=O)NC[C@]1(O)CC[N@H+](CCS(C)(=O)=O)C1 ZINC001402249697 889212139 /nfs/dbraw/zinc/21/21/39/889212139.db2.gz UHWMHBABDXTHQT-LLVKDONJSA-N 1 2 278.374 -1.006 20 0 CAADLO CCC(=O)NC[C@]1(O)CC[N@@H+](CCS(C)(=O)=O)C1 ZINC001402249697 889212159 /nfs/dbraw/zinc/21/21/59/889212159.db2.gz UHWMHBABDXTHQT-LLVKDONJSA-N 1 2 278.374 -1.006 20 0 CAADLO COC[C@H](C)OC[C@@H](O)C[NH+]1CC(O)(CNC(C)=O)C1 ZINC001402284789 889215909 /nfs/dbraw/zinc/21/59/09/889215909.db2.gz LCBKZNZHWFLOSZ-JQWIXIFHSA-N 1 2 290.360 -1.418 20 0 CAADLO CO[C@@H](C)C[NH+]1CC(O)(CNC(=O)CNC(C)=O)C1 ZINC001402280125 889216999 /nfs/dbraw/zinc/21/69/99/889216999.db2.gz JLYHNEMIJLBMLZ-VIFPVBQESA-N 1 2 273.333 -1.680 20 0 CAADLO COC[C@H](O)C[NH+]1CC(O)(CNC(=O)c2ccccn2)C1 ZINC001402274869 889218027 /nfs/dbraw/zinc/21/80/27/889218027.db2.gz BGSOPHIFFHRUEW-LLVKDONJSA-N 1 2 295.339 -1.135 20 0 CAADLO O=C(C[C@H]1CCOC1)NCC1(O)C[NH+](CCCO)C1 ZINC001402311330 889220113 /nfs/dbraw/zinc/22/01/13/889220113.db2.gz VVBWAZYDMGXNKR-LLVKDONJSA-N 1 2 272.345 -1.042 20 0 CAADLO COC[C@H](O)C[NH+]1CC(O)(CNC(=O)[C@@H]2CCCO2)C1 ZINC001402298043 889220196 /nfs/dbraw/zinc/22/01/96/889220196.db2.gz YSGCVRPDUDBYKC-MNOVXSKESA-N 1 2 288.344 -1.664 20 0 CAADLO COCC[NH+]1CC(O)(CNC(=O)C2=COCCO2)C1 ZINC001402297993 889220355 /nfs/dbraw/zinc/22/03/55/889220355.db2.gz YLDLXPIIILRNPB-UHFFFAOYSA-N 1 2 272.301 -1.316 20 0 CAADLO C[C@H](O)C[NH+]1CC(O)(CNC(=O)C[C@H]2CCOC2)C1 ZINC001402302699 889221085 /nfs/dbraw/zinc/22/10/85/889221085.db2.gz DVZWYGYHLFXASB-WDEREUQCSA-N 1 2 272.345 -1.043 20 0 CAADLO COC[C@H](O)C[NH+]1CC(O)(CNC(=O)c2ccon2)C1 ZINC001402301722 889223283 /nfs/dbraw/zinc/22/32/83/889223283.db2.gz CTWPUKPNEMYDII-SECBINFHSA-N 1 2 285.300 -1.542 20 0 CAADLO CNC(=O)NCC(=O)NCC1(O)C[NH+](CCCO)C1 ZINC001402339170 889228004 /nfs/dbraw/zinc/22/80/04/889228004.db2.gz UDCWZSBASUSLBK-UHFFFAOYSA-N 1 2 274.321 -2.539 20 0 CAADLO C[C@H](O)C[NH+]1CC(O)(CNC(=O)CN2CCCCC2=O)C1 ZINC001402346823 889228137 /nfs/dbraw/zinc/22/81/37/889228137.db2.gz SZJLESBREBACFV-NSHDSACASA-N 1 2 299.371 -1.457 20 0 CAADLO CC[NH+]1CC(O)(CNC(=O)[C@@H]2CC(=O)N(CCOC)C2)C1 ZINC001402328604 889228396 /nfs/dbraw/zinc/22/83/96/889228396.db2.gz CGHRCSACDAREQJ-LLVKDONJSA-N 1 2 299.371 -1.336 20 0 CAADLO Cn1ccc(CC(=O)NCC2(O)C[NH+](CCCO)C2)n1 ZINC001402345025 889228574 /nfs/dbraw/zinc/22/85/74/889228574.db2.gz WRYDDISXMXXFPH-UHFFFAOYSA-N 1 2 282.344 -1.492 20 0 CAADLO O=C(NCC1(O)C[NH+](CCCO)C1)c1cn[nH]c(=O)c1 ZINC001402329132 889229091 /nfs/dbraw/zinc/22/90/91/889229091.db2.gz BCTDSIIESNYCFY-UHFFFAOYSA-N 1 2 282.300 -1.659 20 0 CAADLO C[C@@H](O)CCC[NH+]1CC(O)(CNC(=O)Cn2ncnn2)C1 ZINC001402345172 889229753 /nfs/dbraw/zinc/22/97/53/889229753.db2.gz ZFGXEJWIXHSIOE-SNVBAGLBSA-N 1 2 298.347 -2.003 20 0 CAADLO CO[C@@H](C)C[NH+]1CC(O)(CNC(=O)c2cn(C)nn2)C1 ZINC001402340777 889229869 /nfs/dbraw/zinc/22/98/69/889229869.db2.gz NKFFLUKVHDLJMA-VIFPVBQESA-N 1 2 283.332 -1.374 20 0 CAADLO O=C(NCC1(O)C[NH+](C[C@@H]2CCOC2)C1)c1cn[nH]n1 ZINC001402346927 889230198 /nfs/dbraw/zinc/23/01/98/889230198.db2.gz TZFYVZIGKFQLHX-VIFPVBQESA-N 1 2 281.316 -1.382 20 0 CAADLO O=C(NCC1(O)C[NH+](C[C@@H]2CCOC2)C1)c1cnn[nH]1 ZINC001402346927 889230216 /nfs/dbraw/zinc/23/02/16/889230216.db2.gz TZFYVZIGKFQLHX-VIFPVBQESA-N 1 2 281.316 -1.382 20 0 CAADLO O=C(NCC1(O)C[NH+](CCCO)C1)[C@@H]1CCNC(=O)CC1 ZINC001402335024 889231040 /nfs/dbraw/zinc/23/10/40/889231040.db2.gz MAINSWSOLWAEFT-NSHDSACASA-N 1 2 299.371 -1.552 20 0 CAADLO NC(=O)[C@@H]1C[C@@H]1C(=O)NCC1(O)C[NH+](CCCO)C1 ZINC001402358069 889232015 /nfs/dbraw/zinc/23/20/15/889232015.db2.gz ULEHTMQXQFYXIF-BDAKNGLRSA-N 1 2 271.317 -2.347 20 0 CAADLO CCNC(=O)CN1CC(O)(CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001402363980 889232281 /nfs/dbraw/zinc/23/22/81/889232281.db2.gz ZOJSLFOMAYDNLV-UHFFFAOYSA-N 1 2 295.343 -1.749 20 0 CAADLO C[C@@H](CC(=O)NCC1(O)CN(CC(N)=O)C1)n1cc[nH+]c1 ZINC001402358941 889232675 /nfs/dbraw/zinc/23/26/75/889232675.db2.gz MQFGVJRRMDZDEH-JTQLQIEISA-N 1 2 295.343 -1.518 20 0 CAADLO C[C@H](CC(=O)NCC1(O)CN(CC(N)=O)C1)n1cc[nH+]c1 ZINC001402358956 889232707 /nfs/dbraw/zinc/23/27/07/889232707.db2.gz MQFGVJRRMDZDEH-SNVBAGLBSA-N 1 2 295.343 -1.518 20 0 CAADLO COC[C@@H](C)[NH+]1CC(O)(CNC(=O)c2c[nH]c(=O)cn2)C1 ZINC001402349206 889232784 /nfs/dbraw/zinc/23/27/84/889232784.db2.gz HIJBYFVZUIUSLQ-SECBINFHSA-N 1 2 296.327 -1.419 20 0 CAADLO C[C@@H](O)C[NH+]1CC(O)(CNC(=O)c2c[nH]c(=O)n2C)C1 ZINC001402354314 889232868 /nfs/dbraw/zinc/23/28/68/889232868.db2.gz PYFNZVIXENXCLC-MRVPVSSYSA-N 1 2 284.316 -1.717 20 0 CAADLO CNC(=O)CN1CC(O)(CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001402353312 889233156 /nfs/dbraw/zinc/23/31/56/889233156.db2.gz CGNDSCDLQUCJIK-UHFFFAOYSA-N 1 2 281.316 -2.139 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(O)(CNC(=O)[C@H]2CC23CC3)C1 ZINC001402362606 889234393 /nfs/dbraw/zinc/23/43/93/889234393.db2.gz QVTRQGRBTVPXPJ-WDEREUQCSA-N 1 2 284.356 -1.043 20 0 CAADLO CC[NH+]1CC(O)(CNC(=O)CN(C)S(=O)(=O)CC)C1 ZINC001402362151 889234443 /nfs/dbraw/zinc/23/44/43/889234443.db2.gz WBTXEFMXYGCVNQ-UHFFFAOYSA-N 1 2 293.389 -1.549 20 0 CAADLO CO[C@H](C)C[NH+]1CC(O)(CNC(=O)c2[nH]nnc2C)C1 ZINC001402357421 889234615 /nfs/dbraw/zinc/23/46/15/889234615.db2.gz UZFJDRZSOLVPAI-MRVPVSSYSA-N 1 2 283.332 -1.075 20 0 CAADLO C[C@@H](O)C[NH+]1CC(O)(CNC(=O)C[C@@H]2CCC(=O)N2)C1 ZINC001402351886 889234911 /nfs/dbraw/zinc/23/49/11/889234911.db2.gz IUSDNMRDEYKCCM-ZJUUUORDSA-N 1 2 285.344 -1.801 20 0 CAADLO CC[C@@H](C[NH+]1CC(O)(CNC(=O)Cc2nc[nH]n2)C1)OC ZINC001402365973 889236538 /nfs/dbraw/zinc/23/65/38/889236538.db2.gz AQPFYRAGEDUZEM-JTQLQIEISA-N 1 2 297.359 -1.065 20 0 CAADLO NC(=O)NCCC(=O)NCC1(O)C[NH+](CCCO)C1 ZINC001402372110 889237872 /nfs/dbraw/zinc/23/78/72/889237872.db2.gz WUOXFUXTGARLOQ-UHFFFAOYSA-N 1 2 274.321 -2.410 20 0 CAADLO C[C@@H](O)C[NH+]1CC(O)(CNC(=O)CCNC(N)=O)C1 ZINC001402366160 889238276 /nfs/dbraw/zinc/23/82/76/889238276.db2.gz AVULJUMKLSUJMK-MRVPVSSYSA-N 1 2 274.321 -2.412 20 0 CAADLO O=C(N[C@]1(CO)CCC[N@H+](CCF)C1)[C@@H]1CNC(=O)N1 ZINC001402463708 889240221 /nfs/dbraw/zinc/24/02/21/889240221.db2.gz LBKMVHZRBDWFPQ-JOYOIKCWSA-N 1 2 288.323 -1.420 20 0 CAADLO O=C(N[C@]1(CO)CCC[N@@H+](CCF)C1)[C@@H]1CNC(=O)N1 ZINC001402463708 889240239 /nfs/dbraw/zinc/24/02/39/889240239.db2.gz LBKMVHZRBDWFPQ-JOYOIKCWSA-N 1 2 288.323 -1.420 20 0 CAADLO C[C@@H]([NH2+]CCN(CCO)C(=O)Cc1ncn[nH]1)C(N)=O ZINC001402474719 889240893 /nfs/dbraw/zinc/24/08/93/889240893.db2.gz PJPMEHPIMIAMRT-MRVPVSSYSA-N 1 2 284.320 -2.369 20 0 CAADLO O=C(N[C@@]1(CO)CCC[N@H+](CCF)C1)[C@H]1CNC(=O)N1 ZINC001402463722 889241109 /nfs/dbraw/zinc/24/11/09/889241109.db2.gz LBKMVHZRBDWFPQ-SKDRFNHKSA-N 1 2 288.323 -1.420 20 0 CAADLO O=C(N[C@@]1(CO)CCC[N@@H+](CCF)C1)[C@H]1CNC(=O)N1 ZINC001402463722 889241122 /nfs/dbraw/zinc/24/11/22/889241122.db2.gz LBKMVHZRBDWFPQ-SKDRFNHKSA-N 1 2 288.323 -1.420 20 0 CAADLO CC(=O)N[C@@H](C)C(=O)N[C@H]1C[C@H]([NH2+]Cc2nnn(C)n2)C1 ZINC001402476416 889241953 /nfs/dbraw/zinc/24/19/53/889241953.db2.gz PTQAUXPZMYVGAH-HGNGGELXSA-N 1 2 295.347 -1.529 20 0 CAADLO CC(=O)NCC(=O)NC[C@H]1COCC[N@H+]1C[C@H](C)O ZINC001402523566 889244398 /nfs/dbraw/zinc/24/43/98/889244398.db2.gz UMXDXKUODRWXAT-ONGXEEELSA-N 1 2 273.333 -1.680 20 0 CAADLO CC(=O)NCC(=O)NC[C@H]1COCC[N@@H+]1C[C@H](C)O ZINC001402523566 889244414 /nfs/dbraw/zinc/24/44/14/889244414.db2.gz UMXDXKUODRWXAT-ONGXEEELSA-N 1 2 273.333 -1.680 20 0 CAADLO O=C(CN1CCCC1=O)NC[C@@H]1COCC[N@H+]1CCCO ZINC001402525032 889244624 /nfs/dbraw/zinc/24/46/24/889244624.db2.gz VEWWDTQJNNGAJV-GFCCVEGCSA-N 1 2 299.371 -1.192 20 0 CAADLO O=C(CN1CCCC1=O)NC[C@@H]1COCC[N@@H+]1CCCO ZINC001402525032 889244637 /nfs/dbraw/zinc/24/46/37/889244637.db2.gz VEWWDTQJNNGAJV-GFCCVEGCSA-N 1 2 299.371 -1.192 20 0 CAADLO CC[N@@H+]1CCOC[C@H]1CNC(=O)CCCS(N)(=O)=O ZINC001402522585 889245290 /nfs/dbraw/zinc/24/52/90/889245290.db2.gz WMOCPKBIRIZEKO-SNVBAGLBSA-N 1 2 293.389 -1.108 20 0 CAADLO CC[N@H+]1CCOC[C@H]1CNC(=O)CCCS(N)(=O)=O ZINC001402522585 889245303 /nfs/dbraw/zinc/24/53/03/889245303.db2.gz WMOCPKBIRIZEKO-SNVBAGLBSA-N 1 2 293.389 -1.108 20 0 CAADLO NC(=O)CN1CCOC[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001402524551 889246950 /nfs/dbraw/zinc/24/69/50/889246950.db2.gz LQKDVLWMEWMHNB-SNVBAGLBSA-N 1 2 281.316 -1.815 20 0 CAADLO CC(=O)NCC(=O)NC[C@H]1COCC[N@H+]1C[C@@H](C)O ZINC001402523553 889247232 /nfs/dbraw/zinc/24/72/32/889247232.db2.gz UMXDXKUODRWXAT-KOLCDFICSA-N 1 2 273.333 -1.680 20 0 CAADLO CC(=O)NCC(=O)NC[C@H]1COCC[N@@H+]1C[C@@H](C)O ZINC001402523553 889247245 /nfs/dbraw/zinc/24/72/45/889247245.db2.gz UMXDXKUODRWXAT-KOLCDFICSA-N 1 2 273.333 -1.680 20 0 CAADLO CC[NH+]1CC2(C1)CN(C(=O)CS(=O)(=O)NC)CCO2 ZINC001402689172 889258942 /nfs/dbraw/zinc/25/89/42/889258942.db2.gz XTPOZUQAWVLMKC-UHFFFAOYSA-N 1 2 291.373 -1.531 20 0 CAADLO NC(=O)C[N@@H+]1CCCC[C@H]1CNC(=O)Cc1nc[nH]n1 ZINC001402735839 889258744 /nfs/dbraw/zinc/25/87/44/889258744.db2.gz HQSUZZBMQTYTQR-VIFPVBQESA-N 1 2 280.332 -1.197 20 0 CAADLO NC(=O)C[N@H+]1CCCC[C@H]1CNC(=O)Cc1nc[nH]n1 ZINC001402735839 889258754 /nfs/dbraw/zinc/25/87/54/889258754.db2.gz HQSUZZBMQTYTQR-VIFPVBQESA-N 1 2 280.332 -1.197 20 0 CAADLO CCNC(=O)CCC(=O)N[C@@H]1COC2(C[NH+](CCO)C2)C1 ZINC001402704931 889259777 /nfs/dbraw/zinc/25/97/77/889259777.db2.gz QBAAFLIQKWSQDJ-NSHDSACASA-N 1 2 299.371 -1.146 20 0 CAADLO COCC(=O)NC1(C[NH2+]Cc2nnn(C)n2)CCOCC1 ZINC001402744240 889260137 /nfs/dbraw/zinc/26/01/37/889260137.db2.gz VRDKBCCYJRCEEF-UHFFFAOYSA-N 1 2 298.347 -1.389 20 0 CAADLO C[C@@H](CCNC(=O)c1cn[nH]n1)[NH2+]Cc1nnn(C)n1 ZINC001402841390 889261633 /nfs/dbraw/zinc/26/16/33/889261633.db2.gz MXHORXJXMPWGJL-ZETCQYMHSA-N 1 2 279.308 -1.374 20 0 CAADLO Cc1noc(C[NH2+][C@H](C)CNC(=O)Cn2cnnn2)n1 ZINC001402844123 889263633 /nfs/dbraw/zinc/26/36/33/889263633.db2.gz PBYSYSUHSOSRLI-SSDOTTSWSA-N 1 2 280.292 -1.341 20 0 CAADLO NC(=O)C[NH+]1CCC(CO)(NC(=O)Cc2cc[nH]n2)CC1 ZINC001402859765 889265653 /nfs/dbraw/zinc/26/56/53/889265653.db2.gz HLHAVNULGNPXLG-UHFFFAOYSA-N 1 2 295.343 -1.619 20 0 CAADLO COC[C@@H](O)C[N@H+](C)CCNC(=O)[C@@H](C)S(C)(=O)=O ZINC001403602583 889316338 /nfs/dbraw/zinc/31/63/38/889316338.db2.gz AMDIKYOEQULAQZ-ZJUUUORDSA-N 1 2 296.389 -1.525 20 0 CAADLO C[C@@H](CNC(=O)Cn1ncnn1)[NH2+]Cc1csnn1 ZINC001402875300 889266279 /nfs/dbraw/zinc/26/62/79/889266279.db2.gz ADIAPVXLZITKIV-ZETCQYMHSA-N 1 2 282.333 -1.181 20 0 CAADLO COC[C@@H](O)C[N@@H+](C)CCNC(=O)[C@@H](C)S(C)(=O)=O ZINC001403602583 889316347 /nfs/dbraw/zinc/31/63/47/889316347.db2.gz AMDIKYOEQULAQZ-ZJUUUORDSA-N 1 2 296.389 -1.525 20 0 CAADLO Cc1cc(C(=O)NC2(CO)CC[NH+](CC(N)=O)CC2)[nH]n1 ZINC001402856543 889267702 /nfs/dbraw/zinc/26/77/02/889267702.db2.gz DZSYOGCMKFKZIV-UHFFFAOYSA-N 1 2 295.343 -1.240 20 0 CAADLO CC(C)[C@@H](O)C(=O)NC[C@H](C)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001402880657 889269370 /nfs/dbraw/zinc/26/93/70/889269370.db2.gz UQCOLZSKVSJSBH-WCBMZHEXSA-N 1 2 285.348 -1.280 20 0 CAADLO C[C@H](CNC(=O)c1cnon1)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001403090785 889283691 /nfs/dbraw/zinc/28/36/91/889283691.db2.gz WLEWQRNLZSKUKI-ZCFIWIBFSA-N 1 2 281.276 -1.601 20 0 CAADLO Cc1cnn(CC(=O)NC2(CCO)C[NH+](CCO)C2)c1 ZINC001403197737 889289646 /nfs/dbraw/zinc/28/96/46/889289646.db2.gz BOEMFCHSEKSIPD-UHFFFAOYSA-N 1 2 282.344 -1.263 20 0 CAADLO COCC[NH+]1CC(CCO)(NC(=O)CN2CCCC2=O)C1 ZINC001403192905 889291043 /nfs/dbraw/zinc/29/10/43/889291043.db2.gz FUOIPTPQGAHQBV-UHFFFAOYSA-N 1 2 299.371 -1.192 20 0 CAADLO O=C(NC1(CCO)C[NH+](CCO)C1)C1CCOCC1 ZINC001403201998 889291256 /nfs/dbraw/zinc/29/12/56/889291256.db2.gz RGPXQMIOXCMQGN-UHFFFAOYSA-N 1 2 272.345 -1.042 20 0 CAADLO COCC[NH+]1CC(CCO)(NC(=O)c2ccc(=O)[nH]n2)C1 ZINC001403206080 889292221 /nfs/dbraw/zinc/29/22/21/889292221.db2.gz QYBRZCCILKESMU-UHFFFAOYSA-N 1 2 296.327 -1.005 20 0 CAADLO O=C(NC1(CCO)C[NH+](CCCO)C1)[C@H]1COCCO1 ZINC001403220849 889293288 /nfs/dbraw/zinc/29/32/88/889293288.db2.gz QATJJVMDIMQEOV-LLVKDONJSA-N 1 2 288.344 -1.663 20 0 CAADLO COCC[NH+]1CC(CCO)(NC(=O)[C@H]2CCCC(=O)N2)C1 ZINC001403220018 889293418 /nfs/dbraw/zinc/29/34/18/889293418.db2.gz LRIDCHRTKMEPNU-LLVKDONJSA-N 1 2 299.371 -1.146 20 0 CAADLO O=C(CC1OCCCO1)NC1(CCO)C[NH+](CCO)C1 ZINC001403229513 889293474 /nfs/dbraw/zinc/29/34/74/889293474.db2.gz SOFPNBHGTSRQNO-UHFFFAOYSA-N 1 2 288.344 -1.315 20 0 CAADLO O=C(NC1(CCO)C[NH+](CCCO)C1)[C@@H]1COCCO1 ZINC001403220896 889293634 /nfs/dbraw/zinc/29/36/34/889293634.db2.gz QATJJVMDIMQEOV-NSHDSACASA-N 1 2 288.344 -1.663 20 0 CAADLO C[C@H](C(=O)NC1(CCO)C[NH+](CCCO)C1)n1cncn1 ZINC001403223952 889293786 /nfs/dbraw/zinc/29/37/86/889293786.db2.gz FQWHVFMHKYHAKA-LLVKDONJSA-N 1 2 297.359 -1.226 20 0 CAADLO C[C@H](O)C[NH+]1CC(CCO)(NC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001403239724 889294718 /nfs/dbraw/zinc/29/47/18/889294718.db2.gz HEESOKHXWPUVIJ-UWVGGRQHSA-N 1 2 285.344 -1.801 20 0 CAADLO Cn1c(C(=O)NC2(CCO)C[NH+](CCCO)C2)c[nH]c1=O ZINC001403221988 889294878 /nfs/dbraw/zinc/29/48/78/889294878.db2.gz IBIIBGBTKJMCBV-UHFFFAOYSA-N 1 2 298.343 -1.325 20 0 CAADLO O=C(C[C@@H]1CCC(=O)N1)NC1(CCO)C[NH+](CCO)C1 ZINC001403247184 889295281 /nfs/dbraw/zinc/29/52/81/889295281.db2.gz PDHKQDXHOQBHOH-JTQLQIEISA-N 1 2 285.344 -1.800 20 0 CAADLO C[C@@H](NC(=O)CCc1nnc[nH]1)C1C[NH+](CC(N)=O)C1 ZINC001403305519 889296665 /nfs/dbraw/zinc/29/66/65/889296665.db2.gz XYASSWSJNXTKAE-MRVPVSSYSA-N 1 2 280.332 -1.341 20 0 CAADLO C[C@@H](NC(=O)C[C@@H]1CCN(C)C1=O)C1C[NH+](CC(N)=O)C1 ZINC001403314283 889297062 /nfs/dbraw/zinc/29/70/62/889297062.db2.gz DSKZZMCRHKRODW-ZJUUUORDSA-N 1 2 296.371 -1.223 20 0 CAADLO C[C@H](NC(=O)Cc1nc[nH]n1)C1C[NH+](CC(=O)N(C)C)C1 ZINC001403339801 889298188 /nfs/dbraw/zinc/29/81/88/889298188.db2.gz WUAZGUPAHRSERN-VIFPVBQESA-N 1 2 294.359 -1.128 20 0 CAADLO CNC(=O)C[NH+]1CC([C@H](C)NC(=O)C[C@H]2CCNC2=O)C1 ZINC001403302229 889298483 /nfs/dbraw/zinc/29/84/83/889298483.db2.gz LZZSIAOTGKCPBI-VHSXEESVSA-N 1 2 296.371 -1.305 20 0 CAADLO CC(=O)NCC(=O)N[C@@H](C)C1C[NH+](CC(=O)NC(N)=O)C1 ZINC001403301733 889299634 /nfs/dbraw/zinc/29/96/34/889299634.db2.gz SVNAWQMAOWECLQ-ZETCQYMHSA-N 1 2 299.331 -2.246 20 0 CAADLO C[C@H](NC(=O)C[C@@H]1CCC(=O)NC1)C1C[NH+](CC(N)=O)C1 ZINC001403298005 889299961 /nfs/dbraw/zinc/29/99/61/889299961.db2.gz FSIMTCPMZPJLTE-UWVGGRQHSA-N 1 2 296.371 -1.176 20 0 CAADLO C[C@@H](NC(=O)Cc1nc[nH]n1)C1C[NH+](CC(=O)N(C)C)C1 ZINC001403339786 889300255 /nfs/dbraw/zinc/30/02/55/889300255.db2.gz WUAZGUPAHRSERN-SECBINFHSA-N 1 2 294.359 -1.128 20 0 CAADLO C[C@H](NC(=O)c1ccn[nH]1)C1C[NH+](CC(=O)NC(N)=O)C1 ZINC001403285083 889300460 /nfs/dbraw/zinc/30/04/60/889300460.db2.gz FXTJXOUWPGTRGS-ZETCQYMHSA-N 1 2 294.315 -1.345 20 0 CAADLO CN(C)C(=O)C[N@H+](C)CCNC(=O)CN1CCOCC1 ZINC001403531697 889305113 /nfs/dbraw/zinc/30/51/13/889305113.db2.gz BZCBPAXGYBNKFE-UHFFFAOYSA-N 1 2 286.376 -1.545 20 0 CAADLO CN(C)C(=O)C[N@@H+](C)CCNC(=O)CN1CCOCC1 ZINC001403531697 889305128 /nfs/dbraw/zinc/30/51/28/889305128.db2.gz BZCBPAXGYBNKFE-UHFFFAOYSA-N 1 2 286.376 -1.545 20 0 CAADLO COCCC(=O)NCC[N@H+](C)CC(=O)N1CCOCC1 ZINC001403483387 889306493 /nfs/dbraw/zinc/30/64/93/889306493.db2.gz KJMALDIRMXBJFQ-UHFFFAOYSA-N 1 2 287.360 -1.070 20 0 CAADLO COCCC(=O)NCC[N@@H+](C)CC(=O)N1CCOCC1 ZINC001403483387 889306506 /nfs/dbraw/zinc/30/65/06/889306506.db2.gz KJMALDIRMXBJFQ-UHFFFAOYSA-N 1 2 287.360 -1.070 20 0 CAADLO CC(=O)NCC(=O)NCC[N@@H+](C)CC(=O)NC1CC1 ZINC001403485406 889308628 /nfs/dbraw/zinc/30/86/28/889308628.db2.gz JAAVKOZQNUIJHP-UHFFFAOYSA-N 1 2 270.333 -1.551 20 0 CAADLO CC(=O)NCC(=O)NCC[N@H+](C)CC(=O)NC1CC1 ZINC001403485406 889308638 /nfs/dbraw/zinc/30/86/38/889308638.db2.gz JAAVKOZQNUIJHP-UHFFFAOYSA-N 1 2 270.333 -1.551 20 0 CAADLO COCC(=O)NCC[N@H+](C)CC(=O)N1CCNC(=O)C1 ZINC001403489462 889309026 /nfs/dbraw/zinc/30/90/26/889309026.db2.gz QECRDIUMEKDIDP-UHFFFAOYSA-N 1 2 286.332 -2.361 20 0 CAADLO COCC(=O)NCC[N@@H+](C)CC(=O)N1CCNC(=O)C1 ZINC001403489462 889309030 /nfs/dbraw/zinc/30/90/30/889309030.db2.gz QECRDIUMEKDIDP-UHFFFAOYSA-N 1 2 286.332 -2.361 20 0 CAADLO C[N@H+](CCNC(=O)c1nccnc1N)CC(=O)NC1CC1 ZINC001403549600 889313010 /nfs/dbraw/zinc/31/30/10/889313010.db2.gz WZGFLZOAOPJKBC-UHFFFAOYSA-N 1 2 292.343 -1.001 20 0 CAADLO C[N@@H+](CCNC(=O)c1nccnc1N)CC(=O)NC1CC1 ZINC001403549600 889313028 /nfs/dbraw/zinc/31/30/28/889313028.db2.gz WZGFLZOAOPJKBC-UHFFFAOYSA-N 1 2 292.343 -1.001 20 0 CAADLO C[N@H+](CCNC(=O)CCNS(C)(=O)=O)CC(N)=O ZINC001403561039 889313615 /nfs/dbraw/zinc/31/36/15/889313615.db2.gz FEQVGZYRPLEGBP-UHFFFAOYSA-N 1 2 280.350 -2.541 20 0 CAADLO C[N@@H+](CCNC(=O)CCNS(C)(=O)=O)CC(N)=O ZINC001403561039 889313627 /nfs/dbraw/zinc/31/36/27/889313627.db2.gz FEQVGZYRPLEGBP-UHFFFAOYSA-N 1 2 280.350 -2.541 20 0 CAADLO C[C@H](CN(C)C(=O)c1nc[nH]n1)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001403604894 889316106 /nfs/dbraw/zinc/31/61/06/889316106.db2.gz GESKOFQOEHMNJR-SSDOTTSWSA-N 1 2 294.319 -1.523 20 0 CAADLO COC[C@@H](O)C[N@H+](C)CCNC(=O)[C@H](C)S(C)(=O)=O ZINC001403602577 889316609 /nfs/dbraw/zinc/31/66/09/889316609.db2.gz AMDIKYOEQULAQZ-UWVGGRQHSA-N 1 2 296.389 -1.525 20 0 CAADLO COC[C@@H](O)C[N@@H+](C)CCNC(=O)[C@H](C)S(C)(=O)=O ZINC001403602577 889316622 /nfs/dbraw/zinc/31/66/22/889316622.db2.gz AMDIKYOEQULAQZ-UWVGGRQHSA-N 1 2 296.389 -1.525 20 0 CAADLO CCNC(=O)C[N@H+](C)CCNC(=O)[C@H]1CCC(=O)NC1 ZINC001403610895 889318654 /nfs/dbraw/zinc/31/86/54/889318654.db2.gz PXWDVGJCERQVRA-JTQLQIEISA-N 1 2 284.360 -1.303 20 0 CAADLO CCNC(=O)C[N@@H+](C)CCNC(=O)[C@H]1CCC(=O)NC1 ZINC001403610895 889318663 /nfs/dbraw/zinc/31/86/63/889318663.db2.gz PXWDVGJCERQVRA-JTQLQIEISA-N 1 2 284.360 -1.303 20 0 CAADLO CCNC(=O)C[N@H+](C)CCNC(=O)CNC(=O)NC ZINC001403566501 889319352 /nfs/dbraw/zinc/31/93/52/889319352.db2.gz MRCGDWWWJDNUGB-UHFFFAOYSA-N 1 2 273.337 -1.901 20 0 CAADLO CCn1cc(C[NH2+][C@H](CO)CNC(=O)COC)nn1 ZINC001403617259 889321059 /nfs/dbraw/zinc/32/10/59/889321059.db2.gz GDQOSYBLDZVVFC-JTQLQIEISA-N 1 2 271.321 -1.489 20 0 CAADLO CCNC(=O)C[N@H+](C)CCNC(=O)CN1CCCNC1=O ZINC001403623316 889321632 /nfs/dbraw/zinc/32/16/32/889321632.db2.gz VNEHFRBYVOYCMF-UHFFFAOYSA-N 1 2 299.375 -1.414 20 0 CAADLO CCNC(=O)C[N@@H+](C)CCNC(=O)CN1CCCNC1=O ZINC001403623316 889321648 /nfs/dbraw/zinc/32/16/48/889321648.db2.gz VNEHFRBYVOYCMF-UHFFFAOYSA-N 1 2 299.375 -1.414 20 0 CAADLO COCCC(=O)NC[C@H](CO)[NH2+]Cc1cn(C)nn1 ZINC001403623880 889321890 /nfs/dbraw/zinc/32/18/90/889321890.db2.gz NJNPDJWVVOBUCL-SNVBAGLBSA-N 1 2 271.321 -1.582 20 0 CAADLO CCn1cc(C[NH2+][C@@H](CO)CNC(=O)COC)nn1 ZINC001403617262 889322599 /nfs/dbraw/zinc/32/25/99/889322599.db2.gz GDQOSYBLDZVVFC-SNVBAGLBSA-N 1 2 271.321 -1.489 20 0 CAADLO CNC(=O)C[N@H+](C)CCNC(=O)c1ccnc2n[nH]nc21 ZINC001403632184 889323534 /nfs/dbraw/zinc/32/35/34/889323534.db2.gz VSTDYPIEMOQHGF-UHFFFAOYSA-N 1 2 291.315 -1.240 20 0 CAADLO CNC(=O)C[N@@H+](C)CCNC(=O)c1ccnc2n[nH]nc21 ZINC001403632184 889323545 /nfs/dbraw/zinc/32/35/45/889323545.db2.gz VSTDYPIEMOQHGF-UHFFFAOYSA-N 1 2 291.315 -1.240 20 0 CAADLO C[N@H+](CCNC(=O)c1cnc2nccn2c1)CC(N)=O ZINC001403639569 889326348 /nfs/dbraw/zinc/32/63/48/889326348.db2.gz RGKYIUGYKDGSSV-UHFFFAOYSA-N 1 2 276.300 -1.124 20 0 CAADLO C[N@@H+](CCNC(=O)c1cnc2nccn2c1)CC(N)=O ZINC001403639569 889326358 /nfs/dbraw/zinc/32/63/58/889326358.db2.gz RGKYIUGYKDGSSV-UHFFFAOYSA-N 1 2 276.300 -1.124 20 0 CAADLO CO[C@@H](C)C(=O)NC[C@H](CO)[NH2+]Cc1nncn1C ZINC001403643953 889328153 /nfs/dbraw/zinc/32/81/53/889328153.db2.gz JMXRVNPSKYFPBB-DTWKUNHWSA-N 1 2 271.321 -1.583 20 0 CAADLO Cn1cnnc1C[NH2+][C@@H](CO)CNC(=O)c1cnccn1 ZINC001403646846 889328286 /nfs/dbraw/zinc/32/82/86/889328286.db2.gz XQTWPUVEHZYHAU-SECBINFHSA-N 1 2 291.315 -1.514 20 0 CAADLO Cn1ncnc1C[NH2+][C@@H](CO)CNC(=O)c1cncnc1 ZINC001403645188 889328537 /nfs/dbraw/zinc/32/85/37/889328537.db2.gz LVISDVKRNSZWMH-SNVBAGLBSA-N 1 2 291.315 -1.514 20 0 CAADLO C[N@H+](CCNC(=O)CNC(=O)C(C)(C)C)CC(N)=O ZINC001403778547 889365177 /nfs/dbraw/zinc/36/51/77/889365177.db2.gz MTXKSWWIMWONTE-UHFFFAOYSA-N 1 2 272.349 -1.318 20 0 CAADLO CO[C@H](C)C(=O)NC[C@H](CO)[NH2+]Cc1nncn1C ZINC001403643972 889329027 /nfs/dbraw/zinc/32/90/27/889329027.db2.gz JMXRVNPSKYFPBB-RKDXNWHRSA-N 1 2 271.321 -1.583 20 0 CAADLO Cn1ncc(C[NH2+][C@H](CO)CNC(=O)c2ccn[nH]2)n1 ZINC001403638683 889329070 /nfs/dbraw/zinc/32/90/70/889329070.db2.gz AEKCHSRDEBHMCJ-VIFPVBQESA-N 1 2 279.304 -1.581 20 0 CAADLO C[N@@H+](CCNC(=O)CNC(=O)C(C)(C)C)CC(N)=O ZINC001403778547 889365188 /nfs/dbraw/zinc/36/51/88/889365188.db2.gz MTXKSWWIMWONTE-UHFFFAOYSA-N 1 2 272.349 -1.318 20 0 CAADLO Cn1cnc(C(=O)NC[C@@H](CO)[NH2+]Cc2ccon2)n1 ZINC001403652048 889330542 /nfs/dbraw/zinc/33/05/42/889330542.db2.gz KWEDPSUTRVFHDO-VIFPVBQESA-N 1 2 280.288 -1.316 20 0 CAADLO O=C(NC[C@H](CO)[NH2+]Cc1ccon1)[C@@H]1COCCO1 ZINC001403649220 889330705 /nfs/dbraw/zinc/33/07/05/889330705.db2.gz JNPRVVDGIAYGDI-MNOVXSKESA-N 1 2 285.300 -1.343 20 0 CAADLO O=C(NC[C@@H](CO)[NH2+]Cc1ccon1)[C@H]1COCCO1 ZINC001403649225 889331066 /nfs/dbraw/zinc/33/10/66/889331066.db2.gz JNPRVVDGIAYGDI-WDEREUQCSA-N 1 2 285.300 -1.343 20 0 CAADLO Cn1ncc(C[NH2+][C@@H](CO)CNC(=O)C2CCOCC2)n1 ZINC001403651847 889332397 /nfs/dbraw/zinc/33/23/97/889332397.db2.gz ONUHHUASLMSEHH-GFCCVEGCSA-N 1 2 297.359 -1.192 20 0 CAADLO Cn1ncc(C[NH2+][C@H](CO)CNC(=O)[C@@H]2CCCO2)n1 ZINC001403655336 889334374 /nfs/dbraw/zinc/33/43/74/889334374.db2.gz RVPSTGNDPUHUAF-QWRGUYRKSA-N 1 2 283.332 -1.439 20 0 CAADLO Cc1nonc1C[NH2+][C@H](CO)CNC(=O)Cn1cccn1 ZINC001403663805 889334530 /nfs/dbraw/zinc/33/45/30/889334530.db2.gz QYSPKDOUWIFONZ-JTQLQIEISA-N 1 2 294.315 -1.159 20 0 CAADLO Cn1ncnc1C[NH2+][C@H](CO)CNC(=O)c1ccn[nH]1 ZINC001403657942 889334696 /nfs/dbraw/zinc/33/46/96/889334696.db2.gz RIKUXUBCKPZZLR-QMMMGPOBSA-N 1 2 279.304 -1.581 20 0 CAADLO Cn1cc(C[NH2+][C@@H](CO)CNC(=O)c2ccn[nH]2)nn1 ZINC001403656016 889335806 /nfs/dbraw/zinc/33/58/06/889335806.db2.gz QBVIXZJDGBWLDG-SECBINFHSA-N 1 2 279.304 -1.581 20 0 CAADLO Cc1nonc1C[NH2+][C@@H](CO)CNC(=O)Cn1cccn1 ZINC001403663821 889337157 /nfs/dbraw/zinc/33/71/57/889337157.db2.gz QYSPKDOUWIFONZ-SNVBAGLBSA-N 1 2 294.315 -1.159 20 0 CAADLO CCO[C@H](C)C(=O)NC[C@@H](CO)[NH2+]Cc1cn(C)nn1 ZINC001403665171 889338668 /nfs/dbraw/zinc/33/86/68/889338668.db2.gz WZFPDTUDMRYSBH-KOLCDFICSA-N 1 2 285.348 -1.193 20 0 CAADLO C[C@@H]([NH2+][C@@H](CO)CNC(=O)c1cc[nH]c1)c1nnnn1C ZINC001403665604 889339369 /nfs/dbraw/zinc/33/93/69/889339369.db2.gz JEESFSKFNLMOLR-PSASIEDQSA-N 1 2 293.331 -1.020 20 0 CAADLO COC[C@@H](C)C(=O)NC[C@@H](CO)[NH2+]Cc1nnnn1C ZINC001403670249 889339506 /nfs/dbraw/zinc/33/95/06/889339506.db2.gz DLJJEZOHANZWIG-BDAKNGLRSA-N 1 2 286.336 -1.941 20 0 CAADLO CN(C(=O)C[N@H+](C)CCNC(=O)[C@H]1CNC(=O)N1)C1CC1 ZINC001403666030 889339544 /nfs/dbraw/zinc/33/95/44/889339544.db2.gz GZTSKWWWDQRCSJ-SNVBAGLBSA-N 1 2 297.359 -1.663 20 0 CAADLO CN(C(=O)C[N@@H+](C)CCNC(=O)[C@H]1CNC(=O)N1)C1CC1 ZINC001403666030 889339553 /nfs/dbraw/zinc/33/95/53/889339553.db2.gz GZTSKWWWDQRCSJ-SNVBAGLBSA-N 1 2 297.359 -1.663 20 0 CAADLO Cn1nnnc1C[NH2+][C@H](CO)CNC(=O)[C@H]1CCCOC1 ZINC001403670880 889341421 /nfs/dbraw/zinc/34/14/21/889341421.db2.gz DYSVTSVCNQKJQW-UWVGGRQHSA-N 1 2 298.347 -1.797 20 0 CAADLO CC(=O)N1CC(C(=O)NC[C@H](CO)[NH2+]Cc2ccon2)C1 ZINC001403681810 889343327 /nfs/dbraw/zinc/34/33/27/889343327.db2.gz WXTVEFFQZQHMAE-GFCCVEGCSA-N 1 2 296.327 -1.280 20 0 CAADLO O=C(Cn1ncnn1)NC[C@H](CO)[NH2+]Cc1ccon1 ZINC001403675661 889344994 /nfs/dbraw/zinc/34/49/94/889344994.db2.gz QJJQQZVPZSHCJN-SECBINFHSA-N 1 2 281.276 -2.072 20 0 CAADLO Cn1[nH]c(C[N@H+](C)CCNC(=O)[C@H]2CNC(=O)N2)nc1=O ZINC001403677674 889345303 /nfs/dbraw/zinc/34/53/03/889345303.db2.gz XDNSGOARNDFQLC-SSDOTTSWSA-N 1 2 297.319 -2.662 20 0 CAADLO Cn1[nH]c(C[N@@H+](C)CCNC(=O)[C@H]2CNC(=O)N2)nc1=O ZINC001403677674 889345318 /nfs/dbraw/zinc/34/53/18/889345318.db2.gz XDNSGOARNDFQLC-SSDOTTSWSA-N 1 2 297.319 -2.662 20 0 CAADLO O=C(Cn1ncnn1)NC[C@@H](CO)[NH2+]Cc1ccon1 ZINC001403675663 889345736 /nfs/dbraw/zinc/34/57/36/889345736.db2.gz QJJQQZVPZSHCJN-VIFPVBQESA-N 1 2 281.276 -2.072 20 0 CAADLO NC(=O)[C@@H]1C[C@@H]1C(=O)NC[C@H](CO)[NH2+]Cc1ccon1 ZINC001403694455 889348225 /nfs/dbraw/zinc/34/82/25/889348225.db2.gz BNYFGPCWGFGQPY-BBBLOLIVSA-N 1 2 282.300 -1.637 20 0 CAADLO COC[C@@H](C)C(=O)NC[C@@H](CO)[NH2+]Cc1cn(C)nn1 ZINC001403693102 889349530 /nfs/dbraw/zinc/34/95/30/889349530.db2.gz ZTHPKQPLUVXXCO-KOLCDFICSA-N 1 2 285.348 -1.336 20 0 CAADLO CCn1nncc1C[NH2+][C@H](CO)CNC(=O)c1nnc[nH]1 ZINC001403708738 889351465 /nfs/dbraw/zinc/35/14/65/889351465.db2.gz QUKRRVHATQWLAA-QMMMGPOBSA-N 1 2 294.319 -1.703 20 0 CAADLO CCn1nncc1C[NH2+][C@H](CO)CNC(=O)c1ncn[nH]1 ZINC001403708738 889351473 /nfs/dbraw/zinc/35/14/73/889351473.db2.gz QUKRRVHATQWLAA-QMMMGPOBSA-N 1 2 294.319 -1.703 20 0 CAADLO CCn1nncc1C[NH2+][C@H](CO)CNC(=O)c1nc[nH]n1 ZINC001403708738 889351485 /nfs/dbraw/zinc/35/14/85/889351485.db2.gz QUKRRVHATQWLAA-QMMMGPOBSA-N 1 2 294.319 -1.703 20 0 CAADLO C[N@H+](CCNC(=O)C(C)(C)NS(C)(=O)=O)CC(N)=O ZINC001403700268 889351967 /nfs/dbraw/zinc/35/19/67/889351967.db2.gz UJIQEKCLFXYPBG-UHFFFAOYSA-N 1 2 294.377 -2.153 20 0 CAADLO C[N@@H+](CCNC(=O)C(C)(C)NS(C)(=O)=O)CC(N)=O ZINC001403700268 889351976 /nfs/dbraw/zinc/35/19/76/889351976.db2.gz UJIQEKCLFXYPBG-UHFFFAOYSA-N 1 2 294.377 -2.153 20 0 CAADLO Cn1cnnc1C[NH2+][C@@H](CO)CNC(=O)Cc1cnoc1 ZINC001403703889 889352052 /nfs/dbraw/zinc/35/20/52/889352052.db2.gz LJAGMLSZDMDORA-SNVBAGLBSA-N 1 2 294.315 -1.388 20 0 CAADLO Cn1cnnc1C[NH2+][C@H](CO)CNC(=O)Cc1cnoc1 ZINC001403703888 889352077 /nfs/dbraw/zinc/35/20/77/889352077.db2.gz LJAGMLSZDMDORA-JTQLQIEISA-N 1 2 294.315 -1.388 20 0 CAADLO CCn1nncc1C[NH2+][C@@H](CO)CNC(=O)c1nnc[nH]1 ZINC001403708715 889352303 /nfs/dbraw/zinc/35/23/03/889352303.db2.gz QUKRRVHATQWLAA-MRVPVSSYSA-N 1 2 294.319 -1.703 20 0 CAADLO CCn1nncc1C[NH2+][C@@H](CO)CNC(=O)c1ncn[nH]1 ZINC001403708715 889352312 /nfs/dbraw/zinc/35/23/12/889352312.db2.gz QUKRRVHATQWLAA-MRVPVSSYSA-N 1 2 294.319 -1.703 20 0 CAADLO CCn1nncc1C[NH2+][C@@H](CO)CNC(=O)c1nc[nH]n1 ZINC001403708715 889352320 /nfs/dbraw/zinc/35/23/20/889352320.db2.gz QUKRRVHATQWLAA-MRVPVSSYSA-N 1 2 294.319 -1.703 20 0 CAADLO Cc1cnoc1C(=O)NC[C@@H](CO)[NH2+]Cc1cn(C)nn1 ZINC001403719151 889355747 /nfs/dbraw/zinc/35/57/47/889355747.db2.gz FLJWZCQJNYUEDD-JTQLQIEISA-N 1 2 294.315 -1.008 20 0 CAADLO CC(C)[C@@H](F)C(=O)NC[C@H](CO)[NH2+]Cc1nnnn1C ZINC001403712274 889356020 /nfs/dbraw/zinc/35/60/20/889356020.db2.gz TUVQLOBJIJVGGS-PSASIEDQSA-N 1 2 288.327 -1.229 20 0 CAADLO Cc1nnc(C[NH2+][C@H](CO)CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)[nH]1 ZINC001403712223 889357937 /nfs/dbraw/zinc/35/79/37/889357937.db2.gz SYILRPIRPULMIZ-UXCLJVHYSA-N 1 2 295.343 -1.428 20 0 CAADLO CN1C(=O)CC[C@@H]1C(=O)NC[C@@H](CO)[NH2+]Cc1ccon1 ZINC001403715655 889358132 /nfs/dbraw/zinc/35/81/32/889358132.db2.gz WSTDGILJSLKEJM-WDEREUQCSA-N 1 2 296.327 -1.138 20 0 CAADLO C[C@H](CC(N)=O)C(=O)NC[C@@H](CO)[NH2+]Cc1ncnn1C ZINC001403728649 889360113 /nfs/dbraw/zinc/36/01/13/889360113.db2.gz ZQTBHZTXTDFIAO-BDAKNGLRSA-N 1 2 298.347 -2.107 20 0 CAADLO Cc1conc1C(=O)NC[C@H](CO)[NH2+]Cc1ncnn1C ZINC001403729370 889361917 /nfs/dbraw/zinc/36/19/17/889361917.db2.gz PMNLSTYSLLZURA-SECBINFHSA-N 1 2 294.315 -1.008 20 0 CAADLO C[C@@H](CC(N)=O)C(=O)NC[C@@H](CO)[NH2+]Cc1ncnn1C ZINC001403728653 889361978 /nfs/dbraw/zinc/36/19/78/889361978.db2.gz ZQTBHZTXTDFIAO-IUCAKERBSA-N 1 2 298.347 -2.107 20 0 CAADLO C[C@@H](CC(N)=O)C(=O)NC[C@H](CO)[NH2+]Cc1ncnn1C ZINC001403728651 889362159 /nfs/dbraw/zinc/36/21/59/889362159.db2.gz ZQTBHZTXTDFIAO-DTWKUNHWSA-N 1 2 298.347 -2.107 20 0 CAADLO Cc1conc1C(=O)NC[C@@H](CO)[NH2+]Cc1ncnn1C ZINC001403729373 889362666 /nfs/dbraw/zinc/36/26/66/889362666.db2.gz PMNLSTYSLLZURA-VIFPVBQESA-N 1 2 294.315 -1.008 20 0 CAADLO CCN(C)C(=O)C[N@H+](C)CCNC(=O)Cn1cncn1 ZINC001403768899 889365141 /nfs/dbraw/zinc/36/51/41/889365141.db2.gz VOIGAAYJDFFGJD-UHFFFAOYSA-N 1 2 282.348 -1.196 20 0 CAADLO CCN(C)C(=O)C[N@@H+](C)CCNC(=O)Cn1cncn1 ZINC001403768899 889365151 /nfs/dbraw/zinc/36/51/51/889365151.db2.gz VOIGAAYJDFFGJD-UHFFFAOYSA-N 1 2 282.348 -1.196 20 0 CAADLO CN1C(=O)CCC[C@H]1C(=O)NCC[N@H+](C)CC(N)=O ZINC001403761571 889365273 /nfs/dbraw/zinc/36/52/73/889365273.db2.gz VCICKFPMSMPGJX-VIFPVBQESA-N 1 2 270.333 -1.469 20 0 CAADLO CN1C(=O)CCC[C@H]1C(=O)NCC[N@@H+](C)CC(N)=O ZINC001403761571 889365283 /nfs/dbraw/zinc/36/52/83/889365283.db2.gz VCICKFPMSMPGJX-VIFPVBQESA-N 1 2 270.333 -1.469 20 0 CAADLO C[N@H+](CCNC(=O)c1cccc(C(N)=O)n1)CC(N)=O ZINC001403788460 889366359 /nfs/dbraw/zinc/36/63/59/889366359.db2.gz HETZHYFPLBTVDQ-UHFFFAOYSA-N 1 2 279.300 -1.673 20 0 CAADLO C[N@@H+](CCNC(=O)c1cccc(C(N)=O)n1)CC(N)=O ZINC001403788460 889366372 /nfs/dbraw/zinc/36/63/72/889366372.db2.gz HETZHYFPLBTVDQ-UHFFFAOYSA-N 1 2 279.300 -1.673 20 0 CAADLO CNC(=O)C[NH2+][C@@H]1CCN(C(=O)Cc2ncn[nH]2)[C@@H]1C ZINC001403780826 889367460 /nfs/dbraw/zinc/36/74/60/889367460.db2.gz XXYNBJBMMUIWPL-RKDXNWHRSA-N 1 2 280.332 -1.328 20 0 CAADLO COCC[N@H+](CCNC(=O)c1cncn1C)CC(N)=O ZINC001403966747 889388393 /nfs/dbraw/zinc/38/83/93/889388393.db2.gz BXDZTYLZIMRAKY-UHFFFAOYSA-N 1 2 283.332 -1.416 20 0 CAADLO COCC[N@@H+](CCNC(=O)c1cncn1C)CC(N)=O ZINC001403966747 889388403 /nfs/dbraw/zinc/38/84/03/889388403.db2.gz BXDZTYLZIMRAKY-UHFFFAOYSA-N 1 2 283.332 -1.416 20 0 CAADLO CNC(=O)C[N@H+](CCNC(=O)c1cncnc1)CCOC ZINC001403958898 889390275 /nfs/dbraw/zinc/39/02/75/889390275.db2.gz TXGCCTJMASERET-UHFFFAOYSA-N 1 2 295.343 -1.099 20 0 CAADLO CNC(=O)C[N@@H+](CCNC(=O)c1cncnc1)CCOC ZINC001403958898 889390281 /nfs/dbraw/zinc/39/02/81/889390281.db2.gz TXGCCTJMASERET-UHFFFAOYSA-N 1 2 295.343 -1.099 20 0 CAADLO CNC(=O)C[N@H+](CCNC(=O)[C@H]1CCCO1)CCOC ZINC001403959438 889390304 /nfs/dbraw/zinc/39/03/04/889390304.db2.gz XPNZAYABASAPLE-LLVKDONJSA-N 1 2 287.360 -1.024 20 0 CAADLO CNC(=O)C[N@@H+](CCNC(=O)[C@H]1CCCO1)CCOC ZINC001403959438 889390309 /nfs/dbraw/zinc/39/03/09/889390309.db2.gz XPNZAYABASAPLE-LLVKDONJSA-N 1 2 287.360 -1.024 20 0 CAADLO CCNC(=O)NC(=O)C[N@H+](CCNC(C)=O)CCOC ZINC001403958240 889392221 /nfs/dbraw/zinc/39/22/21/889392221.db2.gz OCMBXTULBIFJCR-UHFFFAOYSA-N 1 2 288.348 -1.083 20 0 CAADLO CCNC(=O)NC(=O)C[N@@H+](CCNC(C)=O)CCOC ZINC001403958240 889392230 /nfs/dbraw/zinc/39/22/30/889392230.db2.gz OCMBXTULBIFJCR-UHFFFAOYSA-N 1 2 288.348 -1.083 20 0 CAADLO C[C@]1(C(=O)NC[C@@H]2CCC[N@@H+]2CC(N)=O)CCC(=O)NC1 ZINC001403997133 889394761 /nfs/dbraw/zinc/39/47/61/889394761.db2.gz IMOGCXRGPHDJJO-HZMBPMFUSA-N 1 2 296.371 -1.031 20 0 CAADLO C[C@]1(C(=O)NC[C@@H]2CCC[N@H+]2CC(N)=O)CCC(=O)NC1 ZINC001403997133 889394773 /nfs/dbraw/zinc/39/47/73/889394773.db2.gz IMOGCXRGPHDJJO-HZMBPMFUSA-N 1 2 296.371 -1.031 20 0 CAADLO CNC(=O)C[N@H+](C)CCN(C(=O)c1nnn(C)n1)C(C)C ZINC001404030423 889398334 /nfs/dbraw/zinc/39/83/34/889398334.db2.gz ZDPIRBHSENTICP-UHFFFAOYSA-N 1 2 297.363 -1.262 20 0 CAADLO CNC(=O)C[N@@H+](C)CCN(C(=O)c1nnn(C)n1)C(C)C ZINC001404030423 889398344 /nfs/dbraw/zinc/39/83/44/889398344.db2.gz ZDPIRBHSENTICP-UHFFFAOYSA-N 1 2 297.363 -1.262 20 0 CAADLO C[C@]1(C(=O)NC[C@H]2CCC[N@@H+]2CC(N)=O)CCC(=O)NC1 ZINC001403997141 889398891 /nfs/dbraw/zinc/39/88/91/889398891.db2.gz IMOGCXRGPHDJJO-YGRLFVJLSA-N 1 2 296.371 -1.031 20 0 CAADLO C[C@]1(C(=O)NC[C@H]2CCC[N@H+]2CC(N)=O)CCC(=O)NC1 ZINC001403997141 889398903 /nfs/dbraw/zinc/39/89/03/889398903.db2.gz IMOGCXRGPHDJJO-YGRLFVJLSA-N 1 2 296.371 -1.031 20 0 CAADLO CCC(=O)NCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC(N)=O ZINC001404409915 889403003 /nfs/dbraw/zinc/40/30/03/889403003.db2.gz XCWQNDLZUJTXQF-AOOOYVTPSA-N 1 2 282.344 -1.327 20 0 CAADLO CCC(=O)NCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(N)=O ZINC001404409915 889403008 /nfs/dbraw/zinc/40/30/08/889403008.db2.gz XCWQNDLZUJTXQF-AOOOYVTPSA-N 1 2 282.344 -1.327 20 0 CAADLO C[C@@H](CNC(=O)Cn1cc[nH+]c1)N(C)C(=O)CNC(N)=O ZINC001404393995 889404734 /nfs/dbraw/zinc/40/47/34/889404734.db2.gz NKTZDVXRSCKNDB-VIFPVBQESA-N 1 2 296.331 -1.486 20 0 CAADLO C[C@H](CNC(=O)Cn1cc[nH+]c1)N(C)C(=O)CNC(N)=O ZINC001404393989 889405029 /nfs/dbraw/zinc/40/50/29/889405029.db2.gz NKTZDVXRSCKNDB-SECBINFHSA-N 1 2 296.331 -1.486 20 0 CAADLO CC(=O)NCC(=O)NC1C[NH+](C[C@H]2CCc3ncnn32)C1 ZINC001404709815 889412161 /nfs/dbraw/zinc/41/21/61/889412161.db2.gz LVNCYBOKEWPFQL-LLVKDONJSA-N 1 2 292.343 -1.298 20 0 CAADLO COC[C@H](O)C[NH+]1CC(NC(=O)[C@H]2CCN(C)C(=O)C2)C1 ZINC001404786956 889413953 /nfs/dbraw/zinc/41/39/53/889413953.db2.gz RLLBTTOEMCCZEM-CMPLNLGQSA-N 1 2 299.371 -1.338 20 0 CAADLO Cn1nnnc1CN1CC(NC(=O)CCn2cc[nH+]c2)C1 ZINC001404784915 889413990 /nfs/dbraw/zinc/41/39/90/889413990.db2.gz DFBNPZHNCFCHDO-UHFFFAOYSA-N 1 2 290.331 -1.203 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(NC(=O)[C@]23C[C@H]2COC3)C1 ZINC001404777361 889414035 /nfs/dbraw/zinc/41/40/35/889414035.db2.gz VBGFAFKBGCKRAO-GAFUQQFSSA-N 1 2 270.329 -1.169 20 0 CAADLO COCC[NH+]1CC(NC(=O)CN(C)C(=O)COC)C1 ZINC001404768548 889414210 /nfs/dbraw/zinc/41/42/10/889414210.db2.gz NERRJNBLJLRPBP-UHFFFAOYSA-N 1 2 273.333 -1.462 20 0 CAADLO C[C@H](O)C[NH+]1CC(NC(=O)CCCS(N)(=O)=O)C1 ZINC001404801646 889414683 /nfs/dbraw/zinc/41/46/83/889414683.db2.gz AZKDVNVGSRWFRG-QMMMGPOBSA-N 1 2 279.362 -1.764 20 0 CAADLO CCC(=O)N[C@@H](C)C(=O)NC1C[NH+](C[C@@H](O)COC)C1 ZINC001404763317 889415344 /nfs/dbraw/zinc/41/53/44/889415344.db2.gz CYBJYSVEUFMFHU-GXSJLCMTSA-N 1 2 287.360 -1.291 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(NC(=O)[C@H]2CCN(C)C(=O)C2)C1 ZINC001404786963 889415670 /nfs/dbraw/zinc/41/56/70/889415670.db2.gz RLLBTTOEMCCZEM-JQWIXIFHSA-N 1 2 299.371 -1.338 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(NC(=O)C[C@H]2CCC(=O)N2)C1 ZINC001404808030 889415854 /nfs/dbraw/zinc/41/58/54/889415854.db2.gz GAZYYQQXWLBWAK-KOLCDFICSA-N 1 2 285.344 -1.537 20 0 CAADLO COC[C@H](O)C[NH+]1CC(NC(=O)CO[C@@H]2CCOC2)C1 ZINC001404761895 889415908 /nfs/dbraw/zinc/41/59/08/889415908.db2.gz AEMTUKVQQXCHIW-VXGBXAGGSA-N 1 2 288.344 -1.400 20 0 CAADLO COC[C@H](O)C[NH+]1CC(NC(=O)Cn2nccc2C)C1 ZINC001404812999 889417017 /nfs/dbraw/zinc/41/70/17/889417017.db2.gz CKJCLLREAMQZDI-GFCCVEGCSA-N 1 2 282.344 -1.001 20 0 CAADLO COC[C@H](O)C[NH+]1CC(CNC(=O)CS(C)(=O)=O)C1 ZINC001404868780 889417160 /nfs/dbraw/zinc/41/71/60/889417160.db2.gz AORLHRWSBSPPJF-SNVBAGLBSA-N 1 2 294.373 -1.914 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(CNC(=O)CS(C)(=O)=O)C1 ZINC001404868769 889417178 /nfs/dbraw/zinc/41/71/78/889417178.db2.gz AORLHRWSBSPPJF-JTQLQIEISA-N 1 2 294.373 -1.914 20 0 CAADLO CCNC(=O)C[NH+]1CC(CNC(=O)c2ncn(C)n2)C1 ZINC001404868828 889417414 /nfs/dbraw/zinc/41/74/14/889417414.db2.gz PSNKSZCRZMVRLZ-UHFFFAOYSA-N 1 2 280.332 -1.387 20 0 CAADLO CC(=O)N[C@@H](CC(=O)NC1C[NH+](C[C@@H](C)O)C1)C(N)=O ZINC001404813286 889417432 /nfs/dbraw/zinc/41/74/32/889417432.db2.gz WHYOHPUGKSFTDS-XCBNKYQSSA-N 1 2 286.332 -2.452 20 0 CAADLO O=C(Cn1cnnn1)NCC1C[NH+]([C@@H]2CCNC2=O)C1 ZINC001404851319 889417968 /nfs/dbraw/zinc/41/79/68/889417968.db2.gz JOKSGGFJYGLUAU-SECBINFHSA-N 1 2 279.304 -2.390 20 0 CAADLO C[C@H](C(N)=O)[NH+]1CC(CNC(=O)CCc2nnc[nH]2)C1 ZINC001404870121 889418287 /nfs/dbraw/zinc/41/82/87/889418287.db2.gz XWUIGGSZZRUPSH-MRVPVSSYSA-N 1 2 280.332 -1.341 20 0 CAADLO COC[C@H](O)C[NH+]1CC(NC(=O)[C@H]2CCCN2C(C)=O)C1 ZINC001404842646 889418589 /nfs/dbraw/zinc/41/85/89/889418589.db2.gz CPWJDKIURQPLQM-CHWSQXEVSA-N 1 2 299.371 -1.195 20 0 CAADLO C[C@@H](O)C[NH+]1CC(CNC(=O)[C@@H](C)S(C)(=O)=O)C1 ZINC001404886233 889420363 /nfs/dbraw/zinc/42/03/63/889420363.db2.gz CQFQTTFBVDRYCU-RKDXNWHRSA-N 1 2 278.374 -1.152 20 0 CAADLO CCNC(=O)C[NH+]1CC(CNC(=O)C[C@H]2CCC(=O)N2)C1 ZINC001404907740 889420389 /nfs/dbraw/zinc/42/03/89/889420389.db2.gz DPQOBPWYGXEDGS-LLVKDONJSA-N 1 2 296.371 -1.161 20 0 CAADLO C[C@@H](C(=O)NC(N)=O)[NH+]1CC(CNC(=O)[C@@H]2CCOC2)C1 ZINC001404881096 889420534 /nfs/dbraw/zinc/42/05/34/889420534.db2.gz USBMKEBARBUSLX-WCBMZHEXSA-N 1 2 298.343 -1.346 20 0 CAADLO C[C@@H](C(N)=O)[NH+]1CC(CNC(=O)C[C@H]2CCC(=O)N2)C1 ZINC001404907842 889420716 /nfs/dbraw/zinc/42/07/16/889420716.db2.gz FSEQYYXPWZVZEJ-WCBMZHEXSA-N 1 2 282.344 -1.423 20 0 CAADLO O=C(Cc1ncc[nH]1)NCC1C[NH+]([C@@H]2CCNC2=O)C1 ZINC001404933884 889420743 /nfs/dbraw/zinc/42/07/43/889420743.db2.gz RRJOTLGFOTWQLG-SNVBAGLBSA-N 1 2 277.328 -1.111 20 0 CAADLO C[C@H](CC(N)=O)C(=O)NCC1C[NH+]([C@H]2CCNC2=O)C1 ZINC001404898444 889420898 /nfs/dbraw/zinc/42/08/98/889420898.db2.gz IKJQXQYEDDQDHT-SCZZXKLOSA-N 1 2 282.344 -1.566 20 0 CAADLO C[C@H](NS(C)(=O)=O)C(=O)NCC1C[NH+](CCF)C1 ZINC001404887486 889420952 /nfs/dbraw/zinc/42/09/52/889420952.db2.gz ATNLHYQTUQFLKF-QMMMGPOBSA-N 1 2 281.353 -1.058 20 0 CAADLO Cc1cnoc1C(=O)NCC1C[NH+](CC(=O)NC(N)=O)C1 ZINC001404919387 889421466 /nfs/dbraw/zinc/42/14/66/889421466.db2.gz NMDLYEUWMJXCFC-UHFFFAOYSA-N 1 2 295.299 -1.160 20 0 CAADLO Cc1nn(C)cc1CC(=O)NCC1C[NH+](CC(N)=O)C1 ZINC001404892235 889421531 /nfs/dbraw/zinc/42/15/31/889421531.db2.gz NDWZBQFLURAVGC-UHFFFAOYSA-N 1 2 279.344 -1.196 20 0 CAADLO CC[C@H](OC)C(=O)NCC1C[NH+](CC(=O)NC(N)=O)C1 ZINC001404879720 889422034 /nfs/dbraw/zinc/42/20/34/889422034.db2.gz SVJZAMAWJWXCID-VIFPVBQESA-N 1 2 286.332 -1.346 20 0 CAADLO CN(C)C(=O)CCCC(=O)NCC1C[NH+](CC(N)=O)C1 ZINC001404921383 889422059 /nfs/dbraw/zinc/42/20/59/889422059.db2.gz MGJNAGRPQSZEJO-UHFFFAOYSA-N 1 2 284.360 -1.222 20 0 CAADLO C[C@H](C(N)=O)[NH+]1CC(CNC(=O)CCNC(N)=O)C1 ZINC001404954010 889422199 /nfs/dbraw/zinc/42/21/99/889422199.db2.gz WCJYDMZJSRLODF-SSDOTTSWSA-N 1 2 271.321 -2.033 20 0 CAADLO C[C@H](C(=O)NC(N)=O)[NH+]1CC(CNC(=O)[C@H]2CCOC2)C1 ZINC001404881094 889422635 /nfs/dbraw/zinc/42/26/35/889422635.db2.gz USBMKEBARBUSLX-SCZZXKLOSA-N 1 2 298.343 -1.346 20 0 CAADLO Cc1ncc(C(=O)N[C@H]2CC[N@H+](CC(=O)NC(N)=O)C2)[nH]1 ZINC001404990411 889423819 /nfs/dbraw/zinc/42/38/19/889423819.db2.gz VZEPWVIXLXYGSM-QMMMGPOBSA-N 1 2 294.315 -1.283 20 0 CAADLO Cc1ncc(C(=O)N[C@H]2CC[N@@H+](CC(=O)NC(N)=O)C2)[nH]1 ZINC001404990411 889423824 /nfs/dbraw/zinc/42/38/24/889423824.db2.gz VZEPWVIXLXYGSM-QMMMGPOBSA-N 1 2 294.315 -1.283 20 0 CAADLO CCO[C@H](C)C(=O)N[C@@H]1CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001405056252 889423834 /nfs/dbraw/zinc/42/38/34/889423834.db2.gz PJZQGVWRKFAIKA-RKDXNWHRSA-N 1 2 286.332 -1.203 20 0 CAADLO CCO[C@H](C)C(=O)N[C@@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001405056252 889423838 /nfs/dbraw/zinc/42/38/38/889423838.db2.gz PJZQGVWRKFAIKA-RKDXNWHRSA-N 1 2 286.332 -1.203 20 0 CAADLO Cn1ncc(CCC(=O)N[C@H]2CC[N@H+](CC(N)=O)C2)n1 ZINC001405022786 889423855 /nfs/dbraw/zinc/42/38/55/889423855.db2.gz CCYJISGQDWYKHR-JTQLQIEISA-N 1 2 280.332 -1.577 20 0 CAADLO Cn1ncc(CCC(=O)N[C@H]2CC[N@@H+](CC(N)=O)C2)n1 ZINC001405022786 889423862 /nfs/dbraw/zinc/42/38/62/889423862.db2.gz CCYJISGQDWYKHR-JTQLQIEISA-N 1 2 280.332 -1.577 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCCC(N)=O ZINC001404991688 889424708 /nfs/dbraw/zinc/42/47/08/889424708.db2.gz WQHCRSRQAYPZOD-GUBZILKMSA-N 1 2 282.344 -1.199 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCCC(N)=O ZINC001404991688 889424718 /nfs/dbraw/zinc/42/47/18/889424718.db2.gz WQHCRSRQAYPZOD-GUBZILKMSA-N 1 2 282.344 -1.199 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H](C)NC(C)=O)C1 ZINC001404989039 889425440 /nfs/dbraw/zinc/42/54/40/889425440.db2.gz ZQMONSCAMPKHBF-SCZZXKLOSA-N 1 2 270.333 -1.553 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H](C)NC(C)=O)C1 ZINC001404989039 889425449 /nfs/dbraw/zinc/42/54/49/889425449.db2.gz ZQMONSCAMPKHBF-SCZZXKLOSA-N 1 2 270.333 -1.553 20 0 CAADLO CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC(=O)NC2)C1 ZINC001405015473 889425501 /nfs/dbraw/zinc/42/55/01/889425501.db2.gz CXGLQFOGGZTGTR-QWRGUYRKSA-N 1 2 296.371 -1.161 20 0 CAADLO CCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCC(=O)NC2)C1 ZINC001405015473 889425508 /nfs/dbraw/zinc/42/55/08/889425508.db2.gz CXGLQFOGGZTGTR-QWRGUYRKSA-N 1 2 296.371 -1.161 20 0 CAADLO CN(C(=O)c1nc[nH]n1)[C@H]1CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001405125861 889428251 /nfs/dbraw/zinc/42/82/51/889428251.db2.gz SKPHAAJARHKLQT-ZETCQYMHSA-N 1 2 295.303 -1.854 20 0 CAADLO CN(C(=O)c1nc[nH]n1)[C@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001405125861 889428256 /nfs/dbraw/zinc/42/82/56/889428256.db2.gz SKPHAAJARHKLQT-ZETCQYMHSA-N 1 2 295.303 -1.854 20 0 CAADLO CN(C(=O)[C@H]1CCCO1)[C@H]1CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001405091454 889428280 /nfs/dbraw/zinc/42/82/80/889428280.db2.gz ARLMURBDOQFEBT-VHSXEESVSA-N 1 2 298.343 -1.107 20 0 CAADLO CN(C(=O)[C@H]1CCCO1)[C@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001405091454 889428291 /nfs/dbraw/zinc/42/82/91/889428291.db2.gz ARLMURBDOQFEBT-VHSXEESVSA-N 1 2 298.343 -1.107 20 0 CAADLO CN(C(=O)c1nc[nH]n1)[C@@H]1CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001405125852 889428454 /nfs/dbraw/zinc/42/84/54/889428454.db2.gz SKPHAAJARHKLQT-SSDOTTSWSA-N 1 2 295.303 -1.854 20 0 CAADLO CN(C(=O)c1nc[nH]n1)[C@@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001405125852 889428463 /nfs/dbraw/zinc/42/84/63/889428463.db2.gz SKPHAAJARHKLQT-SSDOTTSWSA-N 1 2 295.303 -1.854 20 0 CAADLO CCC(=O)NCC(=O)N(CC)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001405176077 889428486 /nfs/dbraw/zinc/42/84/86/889428486.db2.gz LWTIFZGRBAXREL-JTQLQIEISA-N 1 2 284.360 -1.079 20 0 CAADLO CCC(=O)NCC(=O)N(CC)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001405176077 889428492 /nfs/dbraw/zinc/42/84/92/889428492.db2.gz LWTIFZGRBAXREL-JTQLQIEISA-N 1 2 284.360 -1.079 20 0 CAADLO COCC(=O)NC[C@H](CO)NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001405187598 889429442 /nfs/dbraw/zinc/42/94/42/889429442.db2.gz HYOGVZRYEAGHEW-GXSJLCMTSA-N 1 2 298.343 -1.172 20 0 CAADLO COCC(=O)NC[C@H](CO)NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001405187598 889429447 /nfs/dbraw/zinc/42/94/47/889429447.db2.gz HYOGVZRYEAGHEW-GXSJLCMTSA-N 1 2 298.343 -1.172 20 0 CAADLO CCN(C(=O)Cc1nnc[nH]1)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001405174738 889429605 /nfs/dbraw/zinc/42/96/05/889429605.db2.gz MWFKRAWALMSFJJ-SECBINFHSA-N 1 2 280.332 -1.245 20 0 CAADLO CCN(C(=O)Cc1nnc[nH]1)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001405174738 889429614 /nfs/dbraw/zinc/42/96/14/889429614.db2.gz MWFKRAWALMSFJJ-SECBINFHSA-N 1 2 280.332 -1.245 20 0 CAADLO CC[C@H](CNC(=O)[C@@H]1COCCO1)[NH2+]Cc1nnn(C)n1 ZINC001405210081 889435373 /nfs/dbraw/zinc/43/53/73/889435373.db2.gz SKYPJQMHNBXRJT-ZJUUUORDSA-N 1 2 298.347 -1.390 20 0 CAADLO CC[C@@H](CNC(=O)[C@@H]1COCCO1)[NH2+]Cc1nnn(C)n1 ZINC001405210059 889435415 /nfs/dbraw/zinc/43/54/15/889435415.db2.gz SKYPJQMHNBXRJT-UWVGGRQHSA-N 1 2 298.347 -1.390 20 0 CAADLO O=C(Cn1cc[nH+]c1)N[C@H](CO)CNC(=O)[C@H]1CCOC1 ZINC001405229902 889439715 /nfs/dbraw/zinc/43/97/15/889439715.db2.gz PMJWXJJENRQTSS-QWRGUYRKSA-N 1 2 296.327 -1.487 20 0 CAADLO O=C(Cn1cc[nH+]c1)N[C@@H](CO)CNC(=O)[C@@H]1CCOC1 ZINC001405229886 889440343 /nfs/dbraw/zinc/44/03/43/889440343.db2.gz PMJWXJJENRQTSS-GHMZBOCLSA-N 1 2 296.327 -1.487 20 0 CAADLO CC[C@@H](CNC(=O)c1cn[nH]n1)[NH2+]Cc1nnnn1C ZINC001405268723 889442237 /nfs/dbraw/zinc/44/22/37/889442237.db2.gz ORTKWXDJKVLXBZ-ZETCQYMHSA-N 1 2 279.308 -1.374 20 0 CAADLO CC[C@@H](CNC(=O)c1cnn[nH]1)[NH2+]Cc1nnnn1C ZINC001405268723 889442251 /nfs/dbraw/zinc/44/22/51/889442251.db2.gz ORTKWXDJKVLXBZ-ZETCQYMHSA-N 1 2 279.308 -1.374 20 0 CAADLO CO[C@@H](C)C(=O)N[C@@H](CO)CNC(=O)CCc1c[nH]c[nH+]1 ZINC001405299007 889446619 /nfs/dbraw/zinc/44/66/19/889446619.db2.gz GFJZEDBHGGLYMF-GXSJLCMTSA-N 1 2 298.343 -1.030 20 0 CAADLO CO[C@@H](C)C(=O)N[C@@H](CO)CNC(=O)CCc1c[nH+]c[nH]1 ZINC001405299007 889446624 /nfs/dbraw/zinc/44/66/24/889446624.db2.gz GFJZEDBHGGLYMF-GXSJLCMTSA-N 1 2 298.343 -1.030 20 0 CAADLO CO[C@@H](C)C(=O)N[C@H](CO)CNC(=O)CCc1c[nH]c[nH+]1 ZINC001405299038 889446971 /nfs/dbraw/zinc/44/69/71/889446971.db2.gz GFJZEDBHGGLYMF-ONGXEEELSA-N 1 2 298.343 -1.030 20 0 CAADLO CO[C@@H](C)C(=O)N[C@H](CO)CNC(=O)CCc1c[nH+]c[nH]1 ZINC001405299038 889446976 /nfs/dbraw/zinc/44/69/76/889446976.db2.gz GFJZEDBHGGLYMF-ONGXEEELSA-N 1 2 298.343 -1.030 20 0 CAADLO CO[C@H](C)C(=O)N[C@H](CO)CNC(=O)CCc1c[nH]c[nH+]1 ZINC001405299016 889447332 /nfs/dbraw/zinc/44/73/32/889447332.db2.gz GFJZEDBHGGLYMF-KOLCDFICSA-N 1 2 298.343 -1.030 20 0 CAADLO CO[C@H](C)C(=O)N[C@H](CO)CNC(=O)CCc1c[nH+]c[nH]1 ZINC001405299016 889447339 /nfs/dbraw/zinc/44/73/39/889447339.db2.gz GFJZEDBHGGLYMF-KOLCDFICSA-N 1 2 298.343 -1.030 20 0 CAADLO O=C(Cn1cc[nH+]c1)NC[C@H](CO)NC(=O)c1ccon1 ZINC001405308947 889448424 /nfs/dbraw/zinc/44/84/24/889448424.db2.gz PXVHZTWYFFAIDY-SECBINFHSA-N 1 2 293.283 -1.222 20 0 CAADLO O=C(Cn1cc[nH+]c1)NC[C@@H](CO)NC(=O)c1ccon1 ZINC001405308951 889448940 /nfs/dbraw/zinc/44/89/40/889448940.db2.gz PXVHZTWYFFAIDY-VIFPVBQESA-N 1 2 293.283 -1.222 20 0 CAADLO O=C(Cc1c[nH]c[nH+]1)NC[C@@H](CO)NC(=O)[C@H]1CCCO1 ZINC001405399810 889455083 /nfs/dbraw/zinc/45/50/83/889455083.db2.gz IGMLQJJONDMUIE-WDEREUQCSA-N 1 2 296.327 -1.276 20 0 CAADLO O=C(Cc1[nH]cc[nH+]1)NC[C@@H](CO)NC(=O)C(F)F ZINC001405379228 889455375 /nfs/dbraw/zinc/45/53/75/889455375.db2.gz DGYGQYMXTQNXJE-LURJTMIESA-N 1 2 276.243 -1.189 20 0 CAADLO O=C(Cc1c[nH]c[nH+]1)NC[C@H](CO)NC(=O)[C@H]1CCCO1 ZINC001405399767 889455789 /nfs/dbraw/zinc/45/57/89/889455789.db2.gz IGMLQJJONDMUIE-GHMZBOCLSA-N 1 2 296.327 -1.276 20 0 CAADLO CC(=O)NCC(=O)N[C@H](CO)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001405390585 889456449 /nfs/dbraw/zinc/45/64/49/889456449.db2.gz AFKAAVHVHVLDMS-JTQLQIEISA-N 1 2 297.315 -2.318 20 0 CAADLO CCOCC(=O)N(C)C[C@H](O)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001405555000 889458322 /nfs/dbraw/zinc/45/83/22/889458322.db2.gz XNCVWVKULCOZKH-SNVBAGLBSA-N 1 2 298.343 -1.076 20 0 CAADLO CO[C@@H](C)C(=O)N(C)C[C@H](O)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001405580333 889462005 /nfs/dbraw/zinc/46/20/05/889462005.db2.gz JWDBXEJUQVKSRC-VHSXEESVSA-N 1 2 298.343 -1.077 20 0 CAADLO CO[C@H](C)C(=O)N(C)C[C@@H](O)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001405580337 889462211 /nfs/dbraw/zinc/46/22/11/889462211.db2.gz JWDBXEJUQVKSRC-ZJUUUORDSA-N 1 2 298.343 -1.077 20 0 CAADLO COCCC(=O)NC[C@@H](O)CN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001405648753 889465080 /nfs/dbraw/zinc/46/50/80/889465080.db2.gz IAIZIMOOOOVXBT-LLVKDONJSA-N 1 2 298.343 -1.076 20 0 CAADLO C[C@H](CNC(=O)c1nnc[nH]1)C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001405700636 889466386 /nfs/dbraw/zinc/46/63/86/889466386.db2.gz HUYGXBYQEZNIBO-ZETCQYMHSA-N 1 2 294.319 -1.618 20 0 CAADLO C[C@H](CNC(=O)c1ncn[nH]1)C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001405700636 889466396 /nfs/dbraw/zinc/46/63/96/889466396.db2.gz HUYGXBYQEZNIBO-ZETCQYMHSA-N 1 2 294.319 -1.618 20 0 CAADLO C[C@H](CNC(=O)c1nc[nH]n1)C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001405700636 889466400 /nfs/dbraw/zinc/46/64/00/889466400.db2.gz HUYGXBYQEZNIBO-ZETCQYMHSA-N 1 2 294.319 -1.618 20 0 CAADLO O=C(CCn1cncn1)NC[C@@H]1C[N@H+](CCO)CCO1 ZINC001405730940 889466958 /nfs/dbraw/zinc/46/69/58/889466958.db2.gz NEICOZJIBARHTF-LLVKDONJSA-N 1 2 283.332 -1.523 20 0 CAADLO O=C(CCn1cncn1)NC[C@@H]1C[N@@H+](CCO)CCO1 ZINC001405730940 889466967 /nfs/dbraw/zinc/46/69/67/889466967.db2.gz NEICOZJIBARHTF-LLVKDONJSA-N 1 2 283.332 -1.523 20 0 CAADLO CNC(=O)[C@@H](C)[NH2+]C[C@H](C)N(C)C(=O)Cc1ncn[nH]1 ZINC001405889922 889470395 /nfs/dbraw/zinc/47/03/95/889470395.db2.gz RKMGSGUMIJLWRA-DTWKUNHWSA-N 1 2 282.348 -1.082 20 0 CAADLO CNC(=O)[C@H](C)[NH2+]C[C@@H](C)N(C)C(=O)Cc1ncn[nH]1 ZINC001405889911 889470512 /nfs/dbraw/zinc/47/05/12/889470512.db2.gz RKMGSGUMIJLWRA-BDAKNGLRSA-N 1 2 282.348 -1.082 20 0 CAADLO C[C@@H](C[NH2+]CC(=O)N(C)C)N(C)C(=O)Cc1ncn[nH]1 ZINC001405876169 889470772 /nfs/dbraw/zinc/47/07/72/889470772.db2.gz BFRVZQXTMYNKGZ-VIFPVBQESA-N 1 2 282.348 -1.128 20 0 CAADLO CNC(=O)C[N@H+](C)CCN(C)C(=O)[C@@H](C)n1cncn1 ZINC001406098947 889473335 /nfs/dbraw/zinc/47/33/35/889473335.db2.gz OOZXJPDRPOXWGI-SNVBAGLBSA-N 1 2 282.348 -1.025 20 0 CAADLO CNC(=O)C[N@@H+](C)CCN(C)C(=O)[C@@H](C)n1cncn1 ZINC001406098947 889473344 /nfs/dbraw/zinc/47/33/44/889473344.db2.gz OOZXJPDRPOXWGI-SNVBAGLBSA-N 1 2 282.348 -1.025 20 0 CAADLO CNC(=O)C[N@H+](C)CCN(C)C(=O)C[C@H](C)NC(N)=O ZINC001406106034 889474360 /nfs/dbraw/zinc/47/43/60/889474360.db2.gz LZVBOMYBGNYLCB-VIFPVBQESA-N 1 2 287.364 -1.431 20 0 CAADLO CNC(=O)C[N@@H+](C)CCN(C)C(=O)C[C@H](C)NC(N)=O ZINC001406106034 889474369 /nfs/dbraw/zinc/47/43/69/889474369.db2.gz LZVBOMYBGNYLCB-VIFPVBQESA-N 1 2 287.364 -1.431 20 0 CAADLO CNC(=O)NCCC(=O)N(C)CC[N@H+](C)CC(N)=O ZINC001406089513 889474563 /nfs/dbraw/zinc/47/45/63/889474563.db2.gz IPRXQMKQPHOLCJ-UHFFFAOYSA-N 1 2 273.337 -1.819 20 0 CAADLO CNC(=O)NCCC(=O)N(C)CC[N@@H+](C)CC(N)=O ZINC001406089513 889474573 /nfs/dbraw/zinc/47/45/73/889474573.db2.gz IPRXQMKQPHOLCJ-UHFFFAOYSA-N 1 2 273.337 -1.819 20 0 CAADLO CN(CC[N@H+](C)CC(N)=O)C(=O)c1ccc(=O)n(C)c1 ZINC001406127776 889474687 /nfs/dbraw/zinc/47/46/87/889474687.db2.gz YOHPGXLTLHMAGT-UHFFFAOYSA-N 1 2 280.328 -1.126 20 0 CAADLO CN(CC[N@@H+](C)CC(N)=O)C(=O)c1ccc(=O)n(C)c1 ZINC001406127776 889474694 /nfs/dbraw/zinc/47/46/94/889474694.db2.gz YOHPGXLTLHMAGT-UHFFFAOYSA-N 1 2 280.328 -1.126 20 0 CAADLO CC(=O)NCC(=O)NC[C@H]([NH2+]Cc1nnn(C)n1)C(C)C ZINC001405991535 889474821 /nfs/dbraw/zinc/47/48/21/889474821.db2.gz QCPHLWCWLXPKHZ-JTQLQIEISA-N 1 2 297.363 -1.423 20 0 CAADLO CCNC(=O)C[N@H+](C)CCN(C)C(=O)c1cnnn1C ZINC001406096132 889475848 /nfs/dbraw/zinc/47/58/48/889475848.db2.gz LNQYUJJGNWDCCV-UHFFFAOYSA-N 1 2 282.348 -1.045 20 0 CAADLO CCNC(=O)C[N@@H+](C)CCN(C)C(=O)c1cnnn1C ZINC001406096132 889475852 /nfs/dbraw/zinc/47/58/52/889475852.db2.gz LNQYUJJGNWDCCV-UHFFFAOYSA-N 1 2 282.348 -1.045 20 0 CAADLO COc1cc(C(=O)N(C)CC[N@H+](C)CC(N)=O)nn1C ZINC001406113087 889476180 /nfs/dbraw/zinc/47/61/80/889476180.db2.gz IWDJYFIRNHHSFN-UHFFFAOYSA-N 1 2 283.332 -1.082 20 0 CAADLO COc1cc(C(=O)N(C)CC[N@@H+](C)CC(N)=O)nn1C ZINC001406113087 889476186 /nfs/dbraw/zinc/47/61/86/889476186.db2.gz IWDJYFIRNHHSFN-UHFFFAOYSA-N 1 2 283.332 -1.082 20 0 CAADLO Cc1nnc(C[NH2+]C[C@@H](O)CNC(=O)Cn2cccn2)o1 ZINC001406190004 889478060 /nfs/dbraw/zinc/47/80/60/889478060.db2.gz SROUHNOBVKOHOW-SNVBAGLBSA-N 1 2 294.315 -1.159 20 0 CAADLO CN(CC[N@H+](C)CC(N)=O)C(=O)c1cn(C)c(=O)n1C ZINC001406175880 889479279 /nfs/dbraw/zinc/47/92/79/889479279.db2.gz XJWUSGHTOPODFD-UHFFFAOYSA-N 1 2 283.332 -1.787 20 0 CAADLO CN(CC[N@@H+](C)CC(N)=O)C(=O)c1cn(C)c(=O)n1C ZINC001406175880 889479289 /nfs/dbraw/zinc/47/92/89/889479289.db2.gz XJWUSGHTOPODFD-UHFFFAOYSA-N 1 2 283.332 -1.787 20 0 CAADLO CN(CC[N@H+](C)CC(N)=O)C(=O)COCc1nncn1C ZINC001406150292 889479594 /nfs/dbraw/zinc/47/95/94/889479594.db2.gz BSQNYSAMMMROJH-UHFFFAOYSA-N 1 2 298.347 -1.793 20 0 CAADLO CN(CC[N@@H+](C)CC(N)=O)C(=O)COCc1nncn1C ZINC001406150292 889479602 /nfs/dbraw/zinc/47/96/02/889479602.db2.gz BSQNYSAMMMROJH-UHFFFAOYSA-N 1 2 298.347 -1.793 20 0 CAADLO CO[C@H](C)C(=O)NC[C@H](O)C[NH2+]Cc1nc(C)no1 ZINC001406197916 889481591 /nfs/dbraw/zinc/48/15/91/889481591.db2.gz AUYOVDANPUEBQV-VXNVDRBHSA-N 1 2 272.305 -1.020 20 0 CAADLO CO[C@@H](C)C(=O)NC[C@H](O)C[NH2+]Cc1nc(C)no1 ZINC001406197908 889483353 /nfs/dbraw/zinc/48/33/53/889483353.db2.gz AUYOVDANPUEBQV-IONNQARKSA-N 1 2 272.305 -1.020 20 0 CAADLO NC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCCc2[nH]ncc21 ZINC001406208544 889485508 /nfs/dbraw/zinc/48/55/08/889485508.db2.gz GOEXOYOMZFZDGC-RKDXNWHRSA-N 1 2 295.343 -1.618 20 0 CAADLO Cc1noc(C[NH2+]C[C@@H](O)CNC(=O)Cc2cc[nH]n2)n1 ZINC001406219965 889488940 /nfs/dbraw/zinc/48/89/40/889488940.db2.gz USXHIGKWHVEQCX-SNVBAGLBSA-N 1 2 294.315 -1.089 20 0 CAADLO CCOCC(=O)N[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1O ZINC001406232738 889491660 /nfs/dbraw/zinc/49/16/60/889491660.db2.gz CNBSXVDKGIKVFS-GHMZBOCLSA-N 1 2 296.327 -1.393 20 0 CAADLO CCn1ccc(C[NH2+]C[C@@H](O)CNC(=O)c2cnn[nH]2)n1 ZINC001406241899 889495390 /nfs/dbraw/zinc/49/53/90/889495390.db2.gz BYMRSCSAMNXCJI-SNVBAGLBSA-N 1 2 293.331 -1.098 20 0 CAADLO Cn1cc(C[NH2+]C[C@H](O)CNC(=O)c2cn[nH]n2)nn1 ZINC001406242655 889496020 /nfs/dbraw/zinc/49/60/20/889496020.db2.gz CTPAFQXULYHYSK-QMMMGPOBSA-N 1 2 280.292 -2.186 20 0 CAADLO Cn1cc(C[NH2+]C[C@H](O)CNC(=O)c2cnn[nH]2)nn1 ZINC001406242655 889496026 /nfs/dbraw/zinc/49/60/26/889496026.db2.gz CTPAFQXULYHYSK-QMMMGPOBSA-N 1 2 280.292 -2.186 20 0 CAADLO O=C(NC[C@@H](O)C[NH2+]Cc1cnsn1)c1cnon1 ZINC001406282991 889507252 /nfs/dbraw/zinc/50/72/52/889507252.db2.gz SCNGGHZYTANDKO-ZETCQYMHSA-N 1 2 284.301 -1.198 20 0 CAADLO Cc1ncoc1C[NH2+]C[C@H](O)CNC(=O)c1ncn[nH]1 ZINC001406288895 889507943 /nfs/dbraw/zinc/50/79/43/889507943.db2.gz ZRIDCCISGHWBLE-QMMMGPOBSA-N 1 2 280.288 -1.018 20 0 CAADLO Cc1ncoc1C[NH2+]C[C@H](O)CNC(=O)c1nc[nH]n1 ZINC001406288895 889507951 /nfs/dbraw/zinc/50/79/51/889507951.db2.gz ZRIDCCISGHWBLE-QMMMGPOBSA-N 1 2 280.288 -1.018 20 0 CAADLO COCCC(=O)N[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1O ZINC001406362467 889513673 /nfs/dbraw/zinc/51/36/73/889513673.db2.gz HLDDQAWSPYSAFF-MNOVXSKESA-N 1 2 296.327 -1.323 20 0 CAADLO Cc1noc(C[NH2+]C[C@H](C)NC(=O)[C@@H]2CN(C)C(=O)N2)n1 ZINC001406517084 889524866 /nfs/dbraw/zinc/52/48/66/889524866.db2.gz MTCALNBGKITWGF-CBAPKCEASA-N 1 2 296.331 -1.004 20 0 CAADLO Cc1noc(C[NH2+]C[C@H](C)NC(=O)[C@H]2CN(C)C(=O)N2)n1 ZINC001406517092 889525064 /nfs/dbraw/zinc/52/50/64/889525064.db2.gz MTCALNBGKITWGF-IONNQARKSA-N 1 2 296.331 -1.004 20 0 CAADLO CC(=O)NCC(=O)N[C@@H](C)C[N@H+](C)Cc1cnnn1C ZINC001406573321 889531510 /nfs/dbraw/zinc/53/15/10/889531510.db2.gz NHRHOUATUWRDRM-VIFPVBQESA-N 1 2 282.348 -1.112 20 0 CAADLO CC(=O)NCC(=O)N[C@@H](C)C[N@@H+](C)Cc1cnnn1C ZINC001406573321 889531516 /nfs/dbraw/zinc/53/15/16/889531516.db2.gz NHRHOUATUWRDRM-VIFPVBQESA-N 1 2 282.348 -1.112 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+]1CC[C@@H]1CNC(=O)CNC(=O)OC ZINC001406821238 889538739 /nfs/dbraw/zinc/53/87/39/889538739.db2.gz PJTLRQZHRXWYOT-RKDXNWHRSA-N 1 2 286.332 -1.333 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+]1CC[C@@H]1CNC(=O)CNC(=O)OC ZINC001406821238 889538750 /nfs/dbraw/zinc/53/87/50/889538750.db2.gz PJTLRQZHRXWYOT-RKDXNWHRSA-N 1 2 286.332 -1.333 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+]1CC[C@H]1CNC(=O)CNC(=O)OC ZINC001406821214 889538959 /nfs/dbraw/zinc/53/89/59/889538959.db2.gz PJTLRQZHRXWYOT-BDAKNGLRSA-N 1 2 286.332 -1.333 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+]1CC[C@H]1CNC(=O)CNC(=O)OC ZINC001406821214 889538966 /nfs/dbraw/zinc/53/89/66/889538966.db2.gz PJTLRQZHRXWYOT-BDAKNGLRSA-N 1 2 286.332 -1.333 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CC[C@H]1CNC(=O)CCn1ccnn1 ZINC001406838006 889541373 /nfs/dbraw/zinc/54/13/73/889541373.db2.gz OECZZLKIPPGQJA-UWVGGRQHSA-N 1 2 280.332 -1.268 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CC[C@H]1CNC(=O)CCn1ccnn1 ZINC001406838006 889541386 /nfs/dbraw/zinc/54/13/86/889541386.db2.gz OECZZLKIPPGQJA-UWVGGRQHSA-N 1 2 280.332 -1.268 20 0 CAADLO CNC(=O)NCC(=O)NC[C@H]1CC[N@@H+]1[C@H]1CCCNC1=O ZINC001406849321 889542184 /nfs/dbraw/zinc/54/21/84/889542184.db2.gz GPALIAWJSXQCAI-ZJUUUORDSA-N 1 2 297.359 -1.616 20 0 CAADLO CNC(=O)NCC(=O)NC[C@H]1CC[N@H+]1[C@H]1CCCNC1=O ZINC001406849321 889542194 /nfs/dbraw/zinc/54/21/94/889542194.db2.gz GPALIAWJSXQCAI-ZJUUUORDSA-N 1 2 297.359 -1.616 20 0 CAADLO CN(C)C(=O)C[N@@H+]1CC[C@H]1CNC(=O)Cn1ncnn1 ZINC001406836847 889543038 /nfs/dbraw/zinc/54/30/38/889543038.db2.gz WWPHBLCGTSZUPO-VIFPVBQESA-N 1 2 281.320 -2.048 20 0 CAADLO CN(C)C(=O)C[N@H+]1CC[C@H]1CNC(=O)Cn1ncnn1 ZINC001406836847 889543048 /nfs/dbraw/zinc/54/30/48/889543048.db2.gz WWPHBLCGTSZUPO-VIFPVBQESA-N 1 2 281.320 -2.048 20 0 CAADLO CNC(=O)NCC(=O)NC[C@H]1CC[N@@H+]1[C@@H]1CCCNC1=O ZINC001406849294 889543237 /nfs/dbraw/zinc/54/32/37/889543237.db2.gz GPALIAWJSXQCAI-NXEZZACHSA-N 1 2 297.359 -1.616 20 0 CAADLO CNC(=O)NCC(=O)NC[C@H]1CC[N@H+]1[C@@H]1CCCNC1=O ZINC001406849294 889543255 /nfs/dbraw/zinc/54/32/55/889543255.db2.gz GPALIAWJSXQCAI-NXEZZACHSA-N 1 2 297.359 -1.616 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+]1CC[C@H]1CNC(=O)CCNC(N)=O ZINC001406887723 889544260 /nfs/dbraw/zinc/54/42/60/889544260.db2.gz JYVNISOFTHCPKO-IUCAKERBSA-N 1 2 285.348 -1.630 20 0 CAADLO CNC(=O)[C@H](C)[N@H+]1CC[C@H]1CNC(=O)CCNC(N)=O ZINC001406887723 889544267 /nfs/dbraw/zinc/54/42/67/889544267.db2.gz JYVNISOFTHCPKO-IUCAKERBSA-N 1 2 285.348 -1.630 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CC[C@@H]1CNC(=O)Cn1ccccc1=O ZINC001406887592 889544464 /nfs/dbraw/zinc/54/44/64/889544464.db2.gz IDKHEYYLYJZJDW-WDEREUQCSA-N 1 2 292.339 -1.087 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CC[C@@H]1CNC(=O)Cn1ccccc1=O ZINC001406887592 889544473 /nfs/dbraw/zinc/54/44/73/889544473.db2.gz IDKHEYYLYJZJDW-WDEREUQCSA-N 1 2 292.339 -1.087 20 0 CAADLO O=C(Cn1ncnn1)NCC1([NH2+]Cc2cnon2)CC1 ZINC001406914268 889545928 /nfs/dbraw/zinc/54/59/28/889545928.db2.gz CMVVFZPNPQFLKF-UHFFFAOYSA-N 1 2 278.276 -1.505 20 0 CAADLO Cn1cnc(C(=O)NCC2([NH2+]Cc3nnnn3C)CC2)n1 ZINC001406926419 889545948 /nfs/dbraw/zinc/54/59/48/889545948.db2.gz XPDXIPRVUXKKQI-UHFFFAOYSA-N 1 2 291.319 -1.609 20 0 CAADLO Cn1nnnc1CN1CC[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001406890439 889546121 /nfs/dbraw/zinc/54/61/21/889546121.db2.gz FYSJNGUCQZLSER-JTQLQIEISA-N 1 2 290.331 -1.203 20 0 CAADLO CC(=O)NCC(=O)NCC1([NH2+]Cc2cnn(C)n2)CC1 ZINC001406891726 889546495 /nfs/dbraw/zinc/54/64/95/889546495.db2.gz GXDWQTYXJPRSNH-UHFFFAOYSA-N 1 2 280.332 -1.310 20 0 CAADLO Cn1nnnc1CN1CC[C@@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001406890447 889547241 /nfs/dbraw/zinc/54/72/41/889547241.db2.gz FYSJNGUCQZLSER-SNVBAGLBSA-N 1 2 290.331 -1.203 20 0 CAADLO Cn1nncc1C[NH2+]C1(CNC(=O)c2ncn[nH]2)CC1 ZINC001406971225 889548213 /nfs/dbraw/zinc/54/82/13/889548213.db2.gz AJQOOPCZCRIJDW-UHFFFAOYSA-N 1 2 276.304 -1.015 20 0 CAADLO Cn1nncc1C[NH2+]C1(CNC(=O)c2nc[nH]n2)CC1 ZINC001406971225 889548224 /nfs/dbraw/zinc/54/82/24/889548224.db2.gz AJQOOPCZCRIJDW-UHFFFAOYSA-N 1 2 276.304 -1.015 20 0 CAADLO Cn1nnnc1C[NH2+]C1(CNC(=O)Cc2nc[nH]n2)CC1 ZINC001406983225 889548528 /nfs/dbraw/zinc/54/85/28/889548528.db2.gz QVBOAWUTEKSWFV-UHFFFAOYSA-N 1 2 291.319 -1.691 20 0 CAADLO Cn1ncc(C(=O)NCC2([NH2+]Cc3nnnn3C)CC2)n1 ZINC001406976921 889548557 /nfs/dbraw/zinc/54/85/57/889548557.db2.gz KJOQYQCEUBWIEB-UHFFFAOYSA-N 1 2 291.319 -1.609 20 0 CAADLO Cn1nnc(CNC2(CNC(=O)Cc3c[nH]c[nH+]3)CC2)n1 ZINC001406971053 889550069 /nfs/dbraw/zinc/55/00/69/889550069.db2.gz JFIQVHYKSBCLQE-UHFFFAOYSA-N 1 2 290.331 -1.086 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(N(C)C(=O)[C@H]2CNC(=O)N2)C1 ZINC001407061819 889552085 /nfs/dbraw/zinc/55/20/85/889552085.db2.gz WJIZVTNZKVYAIR-VHSXEESVSA-N 1 2 286.332 -2.182 20 0 CAADLO C[C@H](CC(N)=O)C(=O)N(C)C1C[NH+](CCn2cncn2)C1 ZINC001407066445 889552572 /nfs/dbraw/zinc/55/25/72/889552572.db2.gz VWAOLLQPJMHFLI-SNVBAGLBSA-N 1 2 294.359 -1.068 20 0 CAADLO CN(C(=O)CNC(=O)N1CCCC1)C1C[NH+](CCO)C1 ZINC001407050042 889553550 /nfs/dbraw/zinc/55/35/50/889553550.db2.gz HBHZHLYMJVKGPI-UHFFFAOYSA-N 1 2 284.360 -1.073 20 0 CAADLO CC(=O)NCC(=O)NC[C@@]1(O)CC[N@H+](Cc2ccon2)C1 ZINC001407314757 889555959 /nfs/dbraw/zinc/55/59/59/889555959.db2.gz IZOCPUIRUXTHDS-ZDUSSCGKSA-N 1 2 296.327 -1.136 20 0 CAADLO CC(=O)NCC(=O)NC[C@@]1(O)CC[N@@H+](Cc2ccon2)C1 ZINC001407314757 889555969 /nfs/dbraw/zinc/55/59/69/889555969.db2.gz IZOCPUIRUXTHDS-ZDUSSCGKSA-N 1 2 296.327 -1.136 20 0 CAADLO O=C(NCC1(O)C[NH+](C[C@@H](O)Cn2cccn2)C1)C1CC1 ZINC001407382075 889564286 /nfs/dbraw/zinc/56/42/86/889564286.db2.gz NTORDYFAMTVBKG-GFCCVEGCSA-N 1 2 294.355 -1.183 20 0 CAADLO CC(=O)N[C@H](C)C(=O)NCC1(O)C[NH+](C[C@H](C)O)C1 ZINC001407386050 889564946 /nfs/dbraw/zinc/56/49/46/889564946.db2.gz TYAAEOLPOKUORN-DTWKUNHWSA-N 1 2 273.333 -1.945 20 0 CAADLO CO[C@@H](C)C[NH+]1CC(O)(CNC(=O)Cn2cnnn2)C1 ZINC001407381060 889565347 /nfs/dbraw/zinc/56/53/47/889565347.db2.gz HTYGEQAUUVJZEQ-VIFPVBQESA-N 1 2 284.320 -2.129 20 0 CAADLO C[C@@H](O)C[NH+]1CC(O)(CNC(=O)Cn2cnnn2)C1 ZINC001407376751 889565795 /nfs/dbraw/zinc/56/57/95/889565795.db2.gz DECNRQVBXWEJOQ-MRVPVSSYSA-N 1 2 270.293 -2.783 20 0 CAADLO CC(=O)N[C@@H](C)C(=O)NCC1(O)C[NH+](C[C@@H](C)O)C1 ZINC001407386043 889566856 /nfs/dbraw/zinc/56/68/56/889566856.db2.gz TYAAEOLPOKUORN-BDAKNGLRSA-N 1 2 273.333 -1.945 20 0 CAADLO CC[C@H](C[NH+]1CC(O)(CNC(=O)Cn2ncnn2)C1)OC ZINC001407402625 889568190 /nfs/dbraw/zinc/56/81/90/889568190.db2.gz ACWNMYDPBXEXNU-SNVBAGLBSA-N 1 2 298.347 -1.739 20 0 CAADLO Cn1cc(CC(=O)NCC2(O)C[NH+](CCCO)C2)cn1 ZINC001407398919 889568865 /nfs/dbraw/zinc/56/88/65/889568865.db2.gz MREDQQIZZGZDOE-UHFFFAOYSA-N 1 2 282.344 -1.492 20 0 CAADLO CCC(=O)NCC(=O)NCC1(O)C[NH+](C[C@H](C)O)C1 ZINC001407396086 889570456 /nfs/dbraw/zinc/57/04/56/889570456.db2.gz FVOVKRRXZKLDGF-VIFPVBQESA-N 1 2 273.333 -1.944 20 0 CAADLO CO[C@H](C(=O)NCC1(O)C[NH+](C[C@H](C)O)C1)C1CC1 ZINC001407401736 889570487 /nfs/dbraw/zinc/57/04/87/889570487.db2.gz DCSYQWQVKHLUDG-ONGXEEELSA-N 1 2 272.345 -1.045 20 0 CAADLO CC[NH+]1CC(O)(CNC(=O)Cn2ccc(=O)n(C)c2=O)C1 ZINC001407401619 889570826 /nfs/dbraw/zinc/57/08/26/889570826.db2.gz DIWYOLZNXFRIPX-UHFFFAOYSA-N 1 2 296.327 -2.270 20 0 CAADLO Cc1nn(C)cc1CC(=O)NCC1(O)C[NH+](C[C@H](C)O)C1 ZINC001407403330 889571967 /nfs/dbraw/zinc/57/19/67/889571967.db2.gz GHEHHCHCOJDRMD-JTQLQIEISA-N 1 2 296.371 -1.185 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(O)(CNC(=O)Cc2ccoc2)C1 ZINC001407404270 889572264 /nfs/dbraw/zinc/57/22/64/889572264.db2.gz FPHGSSNTQGGWGU-LBPRGKRZSA-N 1 2 298.339 -1.008 20 0 CAADLO C[C@H](O)C[NH+]1CC(O)(CNC(=O)c2cn[nH]c(=O)c2)C1 ZINC001407418345 889572347 /nfs/dbraw/zinc/57/23/47/889572347.db2.gz ZITNNFZCDNGJHT-QMMMGPOBSA-N 1 2 282.300 -1.661 20 0 CAADLO C[C@H](O)C[NH+]1CC(O)(CNC(=O)c2cc3n(n2)CCO3)C1 ZINC001407408453 889572679 /nfs/dbraw/zinc/57/26/79/889572679.db2.gz YVTUOHWTPKYTRF-VIFPVBQESA-N 1 2 296.327 -1.567 20 0 CAADLO COc1nccc(C(=O)NCC2(O)C[NH+](C[C@H](C)O)C2)n1 ZINC001407406825 889572874 /nfs/dbraw/zinc/57/28/74/889572874.db2.gz CUWOGIQZKRLLTL-VIFPVBQESA-N 1 2 296.327 -1.358 20 0 CAADLO Cc1nnc(CC(=O)NCC2(O)C[NH+](C[C@H](C)O)C2)[nH]1 ZINC001407410579 889572960 /nfs/dbraw/zinc/57/29/60/889572960.db2.gz RTUJBKBEXSLXTC-QMMMGPOBSA-N 1 2 283.332 -1.801 20 0 CAADLO CO[C@@H](C)C[NH+]1CC(O)(CNC(=O)[C@H]2CCC(=O)N2C)C1 ZINC001407421909 889572990 /nfs/dbraw/zinc/57/29/90/889572990.db2.gz QNCFQMBGWXBAMN-WDEREUQCSA-N 1 2 299.371 -1.195 20 0 CAADLO CO[C@H](C)C[NH+]1CC(O)(CNC(=O)CCn2ccnn2)C1 ZINC001407404346 889573643 /nfs/dbraw/zinc/57/36/43/889573643.db2.gz HSXZNSKYFWVESB-LLVKDONJSA-N 1 2 297.359 -1.134 20 0 CAADLO CC[NH+]1CC(O)(CNC(=O)CNS(=O)(=O)CC)C1 ZINC001407402746 889573911 /nfs/dbraw/zinc/57/39/11/889573911.db2.gz HLMSZWRXKUYAEA-UHFFFAOYSA-N 1 2 279.362 -1.892 20 0 CAADLO COC[C@H](O)C[NH+]1CC(O)(CNC(=O)c2ncc[nH]2)C1 ZINC001407407934 889573945 /nfs/dbraw/zinc/57/39/45/889573945.db2.gz VUSBVDPSIMNVDU-SECBINFHSA-N 1 2 284.316 -1.807 20 0 CAADLO COC[C@H](C)[NH+]1CC(O)(CNC(=O)[C@H]2CCC(=O)N2C)C1 ZINC001407418027 889574021 /nfs/dbraw/zinc/57/40/21/889574021.db2.gz CDILEFCPGASPEI-WDEREUQCSA-N 1 2 299.371 -1.195 20 0 CAADLO COC[C@H](C)[NH+]1CC(O)(CNC(=O)[C@@H]2CCC(=O)N2C)C1 ZINC001407465620 889575240 /nfs/dbraw/zinc/57/52/40/889575240.db2.gz CDILEFCPGASPEI-QWRGUYRKSA-N 1 2 299.371 -1.195 20 0 CAADLO CO[C@H](C)C[NH+]1CC(O)(CNC(=O)Cn2cncn2)C1 ZINC001407466398 889575989 /nfs/dbraw/zinc/57/59/89/889575989.db2.gz RHRBUCYRSVDRAW-SNVBAGLBSA-N 1 2 283.332 -1.524 20 0 CAADLO Cc1nonc1CC(=O)NCC1(O)C[NH+](C[C@H](C)O)C1 ZINC001407471741 889576369 /nfs/dbraw/zinc/57/63/69/889576369.db2.gz VSIHYCGTVNVXTA-QMMMGPOBSA-N 1 2 284.316 -1.536 20 0 CAADLO CC[C@@H](C[NH+]1CC(O)(CNC(=O)[C@H]2C[C@H]2C(N)=O)C1)OC ZINC001407424552 889576712 /nfs/dbraw/zinc/57/67/12/889576712.db2.gz DMXZXOAVRVFMFI-AXFHLTTASA-N 1 2 299.371 -1.304 20 0 CAADLO CC[NH+]1CC(O)(CNC(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001407470971 889576886 /nfs/dbraw/zinc/57/68/86/889576886.db2.gz DYUYDWJOVLTXCF-QMMMGPOBSA-N 1 2 277.346 -2.139 20 0 CAADLO CC[NH+]1CC(O)(CNC(=O)Cn2nc(C)n(C)c2=O)C1 ZINC001407468431 889577503 /nfs/dbraw/zinc/57/75/03/889577503.db2.gz AZQMWBLEFVDWSH-UHFFFAOYSA-N 1 2 283.332 -1.927 20 0 CAADLO COC[C@H](O)C[NH+]1CC(O)(CNC(=O)c2ccnnc2)C1 ZINC001407426528 889577337 /nfs/dbraw/zinc/57/73/37/889577337.db2.gz BRBKJCHVUJTNBN-LLVKDONJSA-N 1 2 296.327 -1.740 20 0 CAADLO C[C@H](O)C[NH+]1CC(O)(CNC(=O)CCCn2cncn2)C1 ZINC001407482691 889578571 /nfs/dbraw/zinc/57/85/71/889578571.db2.gz VFLHSUQEONPKFV-NSHDSACASA-N 1 2 297.359 -1.398 20 0 CAADLO Cn1cnn(CC(=O)NC[C@@H]2C[N@H+](CCO)CCO2)c1=O ZINC001407488587 889579006 /nfs/dbraw/zinc/57/90/06/889579006.db2.gz JRDLRVUSKZIRGQ-SNVBAGLBSA-N 1 2 299.331 -2.609 20 0 CAADLO Cn1cnn(CC(=O)NC[C@@H]2C[N@@H+](CCO)CCO2)c1=O ZINC001407488587 889579012 /nfs/dbraw/zinc/57/90/12/889579012.db2.gz JRDLRVUSKZIRGQ-SNVBAGLBSA-N 1 2 299.331 -2.609 20 0 CAADLO C[C@@]1(C(=O)NC[C@H]2C[N@H+](CCO)CCO2)CCNC(=O)C1 ZINC001407492654 889579075 /nfs/dbraw/zinc/57/90/75/889579075.db2.gz NSUCRNLSLLDFGX-SMDDNHRTSA-N 1 2 299.371 -1.288 20 0 CAADLO C[C@@]1(C(=O)NC[C@H]2C[N@@H+](CCO)CCO2)CCNC(=O)C1 ZINC001407492654 889579082 /nfs/dbraw/zinc/57/90/82/889579082.db2.gz NSUCRNLSLLDFGX-SMDDNHRTSA-N 1 2 299.371 -1.288 20 0 CAADLO C[C@@H](O)C[NH+]1CC(O)(CNC(=O)CCCn2cncn2)C1 ZINC001407482668 889579154 /nfs/dbraw/zinc/57/91/54/889579154.db2.gz VFLHSUQEONPKFV-LLVKDONJSA-N 1 2 297.359 -1.398 20 0 CAADLO CO[C@@H](C)C[NH+]1CC(O)(CNC(=O)[C@@H]2CCC(=O)N2C)C1 ZINC001407493441 889579455 /nfs/dbraw/zinc/57/94/55/889579455.db2.gz QNCFQMBGWXBAMN-QWRGUYRKSA-N 1 2 299.371 -1.195 20 0 CAADLO O=C(C[C@H]1CCCC(=O)N1)NC[C@@H]1C[N@H+](CCO)CCO1 ZINC001407495927 889579850 /nfs/dbraw/zinc/57/98/50/889579850.db2.gz SDPYXIKQIYUSKU-VXGBXAGGSA-N 1 2 299.371 -1.146 20 0 CAADLO O=C(C[C@H]1CCCC(=O)N1)NC[C@@H]1C[N@@H+](CCO)CCO1 ZINC001407495927 889579856 /nfs/dbraw/zinc/57/98/56/889579856.db2.gz SDPYXIKQIYUSKU-VXGBXAGGSA-N 1 2 299.371 -1.146 20 0 CAADLO COC[C@H](C)[NH+]1CC(O)(CNC(=O)c2nnn(C)n2)C1 ZINC001407507608 889580982 /nfs/dbraw/zinc/58/09/82/889580982.db2.gz XSGLPJAXPMHALT-QMMMGPOBSA-N 1 2 284.320 -1.979 20 0 CAADLO CNC(=O)C[N@@H+]1CCC[C@](CO)(NC(=O)[C@@H](C)OC)C1 ZINC001407620265 889583694 /nfs/dbraw/zinc/58/36/94/889583694.db2.gz SYVQKLODOPGGSD-MFKMUULPSA-N 1 2 287.360 -1.290 20 0 CAADLO CNC(=O)C[N@H+]1CCC[C@](CO)(NC(=O)[C@@H](C)OC)C1 ZINC001407620265 889583699 /nfs/dbraw/zinc/58/36/99/889583699.db2.gz SYVQKLODOPGGSD-MFKMUULPSA-N 1 2 287.360 -1.290 20 0 CAADLO O=C(Cn1cnnn1)N[C@@]1(CO)CCC[N@H+](CCF)C1 ZINC001407606723 889583906 /nfs/dbraw/zinc/58/39/06/889583906.db2.gz GADWFQSVYCVUOJ-NSHDSACASA-N 1 2 286.311 -1.414 20 0 CAADLO O=C(Cn1cnnn1)N[C@@]1(CO)CCC[N@@H+](CCF)C1 ZINC001407606723 889583922 /nfs/dbraw/zinc/58/39/22/889583922.db2.gz GADWFQSVYCVUOJ-NSHDSACASA-N 1 2 286.311 -1.414 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@@](CO)(NC(=O)Cc2cc[nH]n2)C1 ZINC001407608896 889584797 /nfs/dbraw/zinc/58/47/97/889584797.db2.gz AHGUVNSLCUMRMX-CYBMUJFWSA-N 1 2 295.343 -1.619 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@@](CO)(NC(=O)Cc2cc[nH]n2)C1 ZINC001407608896 889584807 /nfs/dbraw/zinc/58/48/07/889584807.db2.gz AHGUVNSLCUMRMX-CYBMUJFWSA-N 1 2 295.343 -1.619 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@@](CO)(NC(=O)C2=COCCO2)C1 ZINC001407616162 889585160 /nfs/dbraw/zinc/58/51/60/889585160.db2.gz QBVLXPOWYPGWMF-CYBMUJFWSA-N 1 2 299.327 -1.697 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@@](CO)(NC(=O)C2=COCCO2)C1 ZINC001407616162 889585169 /nfs/dbraw/zinc/58/51/69/889585169.db2.gz QBVLXPOWYPGWMF-CYBMUJFWSA-N 1 2 299.327 -1.697 20 0 CAADLO CNC(=O)C[N@@H+]1CCC[C@@](CO)(NC(=O)[C@@H](C)OC)C1 ZINC001407620277 889585273 /nfs/dbraw/zinc/58/52/73/889585273.db2.gz SYVQKLODOPGGSD-ZWNOBZJWSA-N 1 2 287.360 -1.290 20 0 CAADLO CNC(=O)C[N@H+]1CCC[C@@](CO)(NC(=O)[C@@H](C)OC)C1 ZINC001407620277 889585279 /nfs/dbraw/zinc/58/52/79/889585279.db2.gz SYVQKLODOPGGSD-ZWNOBZJWSA-N 1 2 287.360 -1.290 20 0 CAADLO CC[N@@H+]1CCOC[C@@H]1CNC(=O)CN1CCOCC1=O ZINC001407735655 889586363 /nfs/dbraw/zinc/58/63/63/889586363.db2.gz FAGSWFNJPVBXAF-NSHDSACASA-N 1 2 285.344 -1.318 20 0 CAADLO CC[N@H+]1CCOC[C@@H]1CNC(=O)CN1CCOCC1=O ZINC001407735655 889586375 /nfs/dbraw/zinc/58/63/75/889586375.db2.gz FAGSWFNJPVBXAF-NSHDSACASA-N 1 2 285.344 -1.318 20 0 CAADLO CC[N@@H+]1CCOC[C@H]1CNC(=O)CN1CCOCC1=O ZINC001407735652 889586996 /nfs/dbraw/zinc/58/69/96/889586996.db2.gz FAGSWFNJPVBXAF-LLVKDONJSA-N 1 2 285.344 -1.318 20 0 CAADLO CC[N@H+]1CCOC[C@H]1CNC(=O)CN1CCOCC1=O ZINC001407735652 889587010 /nfs/dbraw/zinc/58/70/10/889587010.db2.gz FAGSWFNJPVBXAF-LLVKDONJSA-N 1 2 285.344 -1.318 20 0 CAADLO CCC(=O)NCC(=O)NC[C@H]1COCC[N@@H+]1C[C@@H](C)O ZINC001407736347 889587896 /nfs/dbraw/zinc/58/78/96/889587896.db2.gz HGGPPSMZXVIJFA-MNOVXSKESA-N 1 2 287.360 -1.290 20 0 CAADLO CCC(=O)NCC(=O)NC[C@H]1COCC[N@H+]1C[C@@H](C)O ZINC001407736347 889587905 /nfs/dbraw/zinc/58/79/05/889587905.db2.gz HGGPPSMZXVIJFA-MNOVXSKESA-N 1 2 287.360 -1.290 20 0 CAADLO CC(=O)N(C)CC(=O)NC[C@@H]1CCC2(C[NH+](CCO)C2)O1 ZINC001407990561 889596455 /nfs/dbraw/zinc/59/64/55/889596455.db2.gz YKPDKZHTGZBVDU-LBPRGKRZSA-N 1 2 299.371 -1.193 20 0 CAADLO CC[C@H](OC)C(=O)NC1(CO)CC[NH+](CC(N)=O)CC1 ZINC001408264954 889607362 /nfs/dbraw/zinc/60/73/62/889607362.db2.gz JHZINZAMLUWENE-JTQLQIEISA-N 1 2 287.360 -1.160 20 0 CAADLO NC(=O)C[NH+]1CCC(CO)(NC(=O)[C@H]2CCCOC2)CC1 ZINC001408260142 889608114 /nfs/dbraw/zinc/60/81/14/889608114.db2.gz BQCBZZHFLULIAE-NSHDSACASA-N 1 2 299.371 -1.159 20 0 CAADLO NC(=O)C[NH+]1CCC(CO)(NC(=O)Cc2cnoc2)CC1 ZINC001408282437 889608594 /nfs/dbraw/zinc/60/85/94/889608594.db2.gz XTKMGDIEOLWGRV-UHFFFAOYSA-N 1 2 296.327 -1.355 20 0 CAADLO C[C@H](CNC(=O)Cc1c[nH]c[nH+]1)NC(=O)[C@@H]1CCC(=O)N1 ZINC001408360897 889609941 /nfs/dbraw/zinc/60/99/41/889609941.db2.gz KMRZGFVCQQBWHM-SCZZXKLOSA-N 1 2 293.327 -1.148 20 0 CAADLO CC(=O)N(C)CC[NH+]1CCN(C(=O)Cn2nccn2)CC1 ZINC001408977120 889620342 /nfs/dbraw/zinc/62/03/42/889620342.db2.gz QFXBXWCGSDONBL-UHFFFAOYSA-N 1 2 294.359 -1.099 20 0 CAADLO CN(CCNC(=O)[C@H]1C[C@H]1C(N)=O)C(=O)Cc1[nH]cc[nH+]1 ZINC001408693774 889620588 /nfs/dbraw/zinc/62/05/88/889620588.db2.gz OLNBFXMSWGDANV-BDAKNGLRSA-N 1 2 293.327 -1.352 20 0 CAADLO C[C@@H]([NH2+]Cc1nnn(C)n1)[C@H](C)NC(=O)CCNC(N)=O ZINC001409470324 889636986 /nfs/dbraw/zinc/63/69/86/889636986.db2.gz MGOLYYOONZZLSX-SFYZADRCSA-N 1 2 298.351 -1.749 20 0 CAADLO C[C@H](O)C[NH+]1CC(CCO)(NC(=O)Cn2cccn2)C1 ZINC001409691606 889642738 /nfs/dbraw/zinc/64/27/38/889642738.db2.gz NOKRCXKSLMGKPC-NSHDSACASA-N 1 2 282.344 -1.183 20 0 CAADLO COCC[NH+]1CC(CCO)(NC(=O)c2c[nH]c(=O)cn2)C1 ZINC001409746449 889644456 /nfs/dbraw/zinc/64/44/56/889644456.db2.gz NSBLUOCFZGROBJ-UHFFFAOYSA-N 1 2 296.327 -1.417 20 0 CAADLO C[C@@H](O)C[NH+]1CC(CCO)(NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001409744920 889644837 /nfs/dbraw/zinc/64/48/37/889644837.db2.gz JRQWYDIJOIAXAT-BDAKNGLRSA-N 1 2 286.332 -2.398 20 0 CAADLO C[C@H](O)C[NH+]1CC(CCO)(NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001409744923 889645088 /nfs/dbraw/zinc/64/50/88/889645088.db2.gz JRQWYDIJOIAXAT-DTWKUNHWSA-N 1 2 286.332 -2.398 20 0 CAADLO C[C@H](O)C[NH+]1CC(CCO)(NC(=O)c2ccn(C)n2)C1 ZINC001409755425 889646105 /nfs/dbraw/zinc/64/61/05/889646105.db2.gz NTHQIMMASDLYQX-JTQLQIEISA-N 1 2 282.344 -1.033 20 0 CAADLO O=C(NC1(CCO)C[NH+](CCO)C1)c1cccc(=O)[nH]1 ZINC001409725124 889646582 /nfs/dbraw/zinc/64/65/82/889646582.db2.gz OYIQTUYBECKPPS-UHFFFAOYSA-N 1 2 281.312 -1.054 20 0 CAADLO O=C(Cc1nc[nH]n1)NC1(CCO)C[NH+](CCCO)C1 ZINC001409747209 889646615 /nfs/dbraw/zinc/64/66/15/889646615.db2.gz QCJRZSPHCKACDH-UHFFFAOYSA-N 1 2 283.332 -1.717 20 0 CAADLO C[C@@H](CC(=O)N[C@H]1C[N@H+](CC(N)=O)CC1(C)C)NC(N)=O ZINC001410021833 889647850 /nfs/dbraw/zinc/64/78/50/889647850.db2.gz PVKKBTAWYLNBDL-IUCAKERBSA-N 1 2 299.375 -1.255 20 0 CAADLO C[C@@H](CC(=O)N[C@H]1C[N@@H+](CC(N)=O)CC1(C)C)NC(N)=O ZINC001410021833 889647858 /nfs/dbraw/zinc/64/78/58/889647858.db2.gz PVKKBTAWYLNBDL-IUCAKERBSA-N 1 2 299.375 -1.255 20 0 CAADLO CCC(=O)NCC(=O)N[C@H]1C[N@H+](CC(N)=O)CC1(C)C ZINC001410012658 889648641 /nfs/dbraw/zinc/64/86/41/889648641.db2.gz KYMMFFDBXODWNB-VIFPVBQESA-N 1 2 284.360 -1.176 20 0 CAADLO CCC(=O)NCC(=O)N[C@H]1C[N@@H+](CC(N)=O)CC1(C)C ZINC001410012658 889648647 /nfs/dbraw/zinc/64/86/47/889648647.db2.gz KYMMFFDBXODWNB-VIFPVBQESA-N 1 2 284.360 -1.176 20 0 CAADLO COCC(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3nc(=O)n(C)[nH]3)C[C@H]21 ZINC001410021626 889649354 /nfs/dbraw/zinc/64/93/54/889649354.db2.gz BUOHRWHHMZNMLY-OWUUHHOZSA-N 1 2 295.343 -1.451 20 0 CAADLO COCC(=O)NC[C@@H]1[C@H]2C[N@H+](Cc3nc(=O)n(C)[nH]3)C[C@H]21 ZINC001410021626 889649362 /nfs/dbraw/zinc/64/93/62/889649362.db2.gz BUOHRWHHMZNMLY-OWUUHHOZSA-N 1 2 295.343 -1.451 20 0 CAADLO CC1(C)C[N@H+](CC(N)=O)C[C@@H]1NC(=O)CCNC(N)=O ZINC001410017142 889649897 /nfs/dbraw/zinc/64/98/97/889649897.db2.gz JCQZEWUNJPCEHF-QMMMGPOBSA-N 1 2 285.348 -1.643 20 0 CAADLO CC1(C)C[N@@H+](CC(N)=O)C[C@@H]1NC(=O)CCNC(N)=O ZINC001410017142 889649902 /nfs/dbraw/zinc/64/99/02/889649902.db2.gz JCQZEWUNJPCEHF-QMMMGPOBSA-N 1 2 285.348 -1.643 20 0 CAADLO CC[C@@H](NC(C)=O)C(=O)N[C@H](C)C1C[NH+](CC(N)=O)C1 ZINC001409927272 889650213 /nfs/dbraw/zinc/65/02/13/889650213.db2.gz RABYVJBCWIMOFN-LDYMZIIASA-N 1 2 284.360 -1.177 20 0 CAADLO CNC(=O)C[NH+]1CC([C@@H](C)NC(=O)CCn2cnnn2)C1 ZINC001409924847 889650229 /nfs/dbraw/zinc/65/02/29/889650229.db2.gz HPIFUBMXGUEAFI-SECBINFHSA-N 1 2 295.347 -1.754 20 0 CAADLO CCNC(=O)C[NH+]1CC([C@H](C)NC(=O)Cn2ncnn2)C1 ZINC001409901054 889650251 /nfs/dbraw/zinc/65/02/51/889650251.db2.gz GYBJKPVIZONDKR-VIFPVBQESA-N 1 2 295.347 -1.754 20 0 CAADLO C[C@@H](CC(=O)N[C@@H]1C[N@H+](CC(N)=O)CC1(C)C)NC(N)=O ZINC001410021825 889650266 /nfs/dbraw/zinc/65/02/66/889650266.db2.gz PVKKBTAWYLNBDL-DTWKUNHWSA-N 1 2 299.375 -1.255 20 0 CAADLO C[C@@H](CC(=O)N[C@@H]1C[N@@H+](CC(N)=O)CC1(C)C)NC(N)=O ZINC001410021825 889650273 /nfs/dbraw/zinc/65/02/73/889650273.db2.gz PVKKBTAWYLNBDL-DTWKUNHWSA-N 1 2 299.375 -1.255 20 0 CAADLO C[C@H](CC(=O)N[C@@H]1C[N@H+](CC(N)=O)CC1(C)C)NC(N)=O ZINC001410021867 889650282 /nfs/dbraw/zinc/65/02/82/889650282.db2.gz PVKKBTAWYLNBDL-RKDXNWHRSA-N 1 2 299.375 -1.255 20 0 CAADLO C[C@H](CC(=O)N[C@@H]1C[N@@H+](CC(N)=O)CC1(C)C)NC(N)=O ZINC001410021867 889650289 /nfs/dbraw/zinc/65/02/89/889650289.db2.gz PVKKBTAWYLNBDL-RKDXNWHRSA-N 1 2 299.375 -1.255 20 0 CAADLO CC(C)(O)CC(=O)NC[C@H](O)CNC(=O)Cn1cc[nH+]c1 ZINC001410098264 889661667 /nfs/dbraw/zinc/66/16/67/889661667.db2.gz GPRLMEJKSGDKFH-JTQLQIEISA-N 1 2 298.343 -1.363 20 0 CAADLO C[C@H](CNC(=O)Cn1nccn1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001410296824 889671608 /nfs/dbraw/zinc/67/16/08/889671608.db2.gz JJUDEUSZUULLEM-SECBINFHSA-N 1 2 291.315 -1.135 20 0 CAADLO COCCC(=O)NC[C@@H](CO)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001410508548 889677371 /nfs/dbraw/zinc/67/73/71/889677371.db2.gz CFFOXFJFYSVDER-QMMMGPOBSA-N 1 2 287.320 -2.288 20 0 CAADLO Cn1ncc(C[NH2+][C@@H](CO)CNC(=O)c2cnccn2)n1 ZINC001410561408 889679822 /nfs/dbraw/zinc/67/98/22/889679822.db2.gz QPIKSLSQQAQUKO-SNVBAGLBSA-N 1 2 291.315 -1.514 20 0 CAADLO Cn1ncnc1C[NH2+][C@@H](CO)CNC(=O)c1cnccn1 ZINC001410563816 889679959 /nfs/dbraw/zinc/67/99/59/889679959.db2.gz UNQKUBCOOLBPPX-SECBINFHSA-N 1 2 291.315 -1.514 20 0 CAADLO Cc1cc(C(=O)NC[C@H](CO)[NH2+]Cc2cn(C)nn2)on1 ZINC001410559000 889680368 /nfs/dbraw/zinc/68/03/68/889680368.db2.gz BFLQVJCWKABLPX-SNVBAGLBSA-N 1 2 294.315 -1.008 20 0 CAADLO CCOCC(=O)NC[C@H](CO)[NH2+]Cc1nnc(C)[nH]1 ZINC001410556809 889680867 /nfs/dbraw/zinc/68/08/67/889680867.db2.gz MVLDJWYOIXQSCY-SECBINFHSA-N 1 2 271.321 -1.284 20 0 CAADLO CC(=O)N[C@H](C)C(=O)NC[C@@H](CO)[NH2+]Cc1ncnn1C ZINC001410554165 889680957 /nfs/dbraw/zinc/68/09/57/889680957.db2.gz LLHSASJXNYXXIJ-SCZZXKLOSA-N 1 2 298.347 -2.094 20 0 CAADLO Cn1cc(C(=O)NC[C@@H](CO)[NH2+]Cc2cnn(C)n2)cn1 ZINC001410572775 889682630 /nfs/dbraw/zinc/68/26/30/889682630.db2.gz MSSXRCDDAHFGGY-NSHDSACASA-N 1 2 293.331 -1.571 20 0 CAADLO Cn1cc(C[NH2+][C@H](CO)CNC(=O)[C@H]2CCCOC2)nn1 ZINC001410578155 889683113 /nfs/dbraw/zinc/68/31/13/889683113.db2.gz ILTCPDDSWDPYFD-JQWIXIFHSA-N 1 2 297.359 -1.192 20 0 CAADLO C[C@@H](C(=O)NC[C@H](CO)[NH2+]Cc1nnnn1C)C1CC1 ZINC001410580172 889683955 /nfs/dbraw/zinc/68/39/55/889683955.db2.gz LXCKGVFYAUJPAO-PSASIEDQSA-N 1 2 282.348 -1.177 20 0 CAADLO Cc1nonc1C[NH2+][C@@H](CO)CNC(=O)Cc1cc[nH]n1 ZINC001410579920 889684020 /nfs/dbraw/zinc/68/40/20/889684020.db2.gz LMDXXXBRJVXLRK-SNVBAGLBSA-N 1 2 294.315 -1.089 20 0 CAADLO Cc1ncc(C(=O)NC[C@H](CO)[NH2+]Cc2nncn2C)[nH]1 ZINC001410579849 889684042 /nfs/dbraw/zinc/68/40/42/889684042.db2.gz DIZHXXKIZOXJIF-SECBINFHSA-N 1 2 293.331 -1.273 20 0 CAADLO Cn1ncc(C[NH2+][C@H](CO)CNC(=O)Cc2ccon2)n1 ZINC001410577478 889684169 /nfs/dbraw/zinc/68/41/69/889684169.db2.gz AMKFBOGEOKCFAE-NSHDSACASA-N 1 2 294.315 -1.388 20 0 CAADLO CCOCC(=O)NC[C@@H](CO)[NH2+]Cc1nonc1C ZINC001410566972 889684525 /nfs/dbraw/zinc/68/45/25/889684525.db2.gz XADUNYDIFXPAKB-VIFPVBQESA-N 1 2 272.305 -1.019 20 0 CAADLO C[C@H](C(=O)NC[C@H](CO)[NH2+]Cc1nnnn1C)C1CC1 ZINC001410580185 889684629 /nfs/dbraw/zinc/68/46/29/889684629.db2.gz LXCKGVFYAUJPAO-WCBMZHEXSA-N 1 2 282.348 -1.177 20 0 CAADLO CO[C@H](C)C(=O)NC[C@@H](CO)[NH2+]Cc1nnc(C)[nH]1 ZINC001410572721 889684922 /nfs/dbraw/zinc/68/49/22/889684922.db2.gz AXUABKGGBVUHES-APPZFPTMSA-N 1 2 271.321 -1.285 20 0 CAADLO C[C@@H](C(=O)NC[C@H](CO)[NH2+]Cc1nc(=O)n(C)[nH]1)C1CC1 ZINC001410585123 889686159 /nfs/dbraw/zinc/68/61/59/889686159.db2.gz SCPMDLPWKJKZAB-PSASIEDQSA-N 1 2 297.359 -1.279 20 0 CAADLO Cn1cc(C[NH2+][C@@H](CO)CNC(=O)c2ccnn2C)nn1 ZINC001410589537 889686512 /nfs/dbraw/zinc/68/65/12/889686512.db2.gz RQNJRDOMUXVCFR-SNVBAGLBSA-N 1 2 293.331 -1.571 20 0 CAADLO Cc1nc(C(=O)NC[C@H](CO)[NH2+]Cc2nncn2C)co1 ZINC001410591033 889686577 /nfs/dbraw/zinc/68/65/77/889686577.db2.gz ISIQZVZETZVVMC-SECBINFHSA-N 1 2 294.315 -1.008 20 0 CAADLO Cn1nnnc1C[NH2+][C@@H](CO)CNC(=O)c1cncs1 ZINC001410586278 889686785 /nfs/dbraw/zinc/68/67/85/889686785.db2.gz QLBUTNAVJHKQGD-SSDOTTSWSA-N 1 2 297.344 -1.453 20 0 CAADLO Cn1cc(C[NH2+][C@H](CO)CNC(=O)[C@H]2CCOC2)nn1 ZINC001410585286 889686853 /nfs/dbraw/zinc/68/68/53/889686853.db2.gz NJBDIRIDRDBETL-ONGXEEELSA-N 1 2 283.332 -1.582 20 0 CAADLO Cn1cc(C[NH2+][C@@H](CO)CNC(=O)[C@@H]2CCOC2)nn1 ZINC001410585281 889687837 /nfs/dbraw/zinc/68/78/37/889687837.db2.gz NJBDIRIDRDBETL-MWLCHTKSSA-N 1 2 283.332 -1.582 20 0 CAADLO Cc1nnc(C[NH2+][C@@H](CO)CNC(=O)c2cnsn2)[nH]1 ZINC001410590214 889688098 /nfs/dbraw/zinc/68/80/98/889688098.db2.gz UBGCMJSPEICRPB-SSDOTTSWSA-N 1 2 297.344 -1.155 20 0 CAADLO Cc1nc(C(=O)NC[C@@H](CO)[NH2+]Cc2nncn2C)co1 ZINC001410591040 889688160 /nfs/dbraw/zinc/68/81/60/889688160.db2.gz ISIQZVZETZVVMC-VIFPVBQESA-N 1 2 294.315 -1.008 20 0 CAADLO Cc1c[nH]nc1C(=O)NC[C@H](CO)[NH2+]Cc1nncn1C ZINC001410614694 889689655 /nfs/dbraw/zinc/68/96/55/889689655.db2.gz FQTYLPSZTBCXFU-SECBINFHSA-N 1 2 293.331 -1.273 20 0 CAADLO CCn1cc(C[NH2+][C@@H](CO)CNC(=O)[C@@H]2CCOC2)nn1 ZINC001410597624 889689786 /nfs/dbraw/zinc/68/97/86/889689786.db2.gz ZYGGVTJJHDVVMN-ZYHUDNBSSA-N 1 2 297.359 -1.099 20 0 CAADLO Cn1cc(C(=O)NC[C@H](CO)[NH2+]Cc2nncn2C)nn1 ZINC001410630612 889689822 /nfs/dbraw/zinc/68/98/22/889689822.db2.gz IEPJDZHUJHYQLQ-MRVPVSSYSA-N 1 2 294.319 -2.176 20 0 CAADLO Cn1ncc(C[NH2+][C@@H](CO)CNC(=O)[C@H]2CCCOC2)n1 ZINC001410596753 889690535 /nfs/dbraw/zinc/69/05/35/889690535.db2.gz ZBAHOBDNYAUJLW-CMPLNLGQSA-N 1 2 297.359 -1.192 20 0 CAADLO CCn1cc(C[NH2+][C@@H](CO)CNC(=O)[C@H]2CCOC2)nn1 ZINC001410597621 889690689 /nfs/dbraw/zinc/69/06/89/889690689.db2.gz ZYGGVTJJHDVVMN-CMPLNLGQSA-N 1 2 297.359 -1.099 20 0 CAADLO Cn1ncc(C[NH2+][C@@H](CO)CNC(=O)[C@@H]2CCCOC2)n1 ZINC001410596875 889690887 /nfs/dbraw/zinc/69/08/87/889690887.db2.gz ZBAHOBDNYAUJLW-ZYHUDNBSSA-N 1 2 297.359 -1.192 20 0 CAADLO Cc1c[nH]nc1C(=O)NC[C@@H](CO)[NH2+]Cc1nncn1C ZINC001410614704 889691417 /nfs/dbraw/zinc/69/14/17/889691417.db2.gz FQTYLPSZTBCXFU-VIFPVBQESA-N 1 2 293.331 -1.273 20 0 CAADLO CC(C)[C@@H](O)C(=O)NC[C@@H](CO)[NH2+]Cc1nnnn1C ZINC001410622826 889692567 /nfs/dbraw/zinc/69/25/67/889692567.db2.gz BQGXNWUMYVDCNA-WCBMZHEXSA-N 1 2 286.336 -2.206 20 0 CAADLO CNC(=O)NCC(=O)NC[C@H](CO)[NH2+]Cc1cnn(C)n1 ZINC001410656696 889695521 /nfs/dbraw/zinc/69/55/21/889695521.db2.gz SMBAWLZHWXVKDF-SECBINFHSA-N 1 2 299.335 -2.689 20 0 CAADLO Cc1nnsc1C[NH2+][C@H](CO)CNC(=O)c1cn[nH]n1 ZINC001410687822 889699331 /nfs/dbraw/zinc/69/93/31/889699331.db2.gz MROTVBLWCCYIGK-ZETCQYMHSA-N 1 2 297.344 -1.155 20 0 CAADLO Cc1nnsc1C[NH2+][C@H](CO)CNC(=O)c1cnn[nH]1 ZINC001410687822 889699340 /nfs/dbraw/zinc/69/93/40/889699340.db2.gz MROTVBLWCCYIGK-ZETCQYMHSA-N 1 2 297.344 -1.155 20 0 CAADLO C[C@@H]1C[C@H]1C(=O)NC[C@@H](CO)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001410706161 889700881 /nfs/dbraw/zinc/70/08/81/889700881.db2.gz PFZMYKCSGZXZBN-HRDYMLBCSA-N 1 2 283.332 -1.669 20 0 CAADLO Cc1n[nH]cc1C(=O)NC[C@@H](CO)[NH2+]Cc1nnnn1C ZINC001410695811 889702953 /nfs/dbraw/zinc/70/29/53/889702953.db2.gz HMINARQNKDGEMN-QMMMGPOBSA-N 1 2 294.319 -1.878 20 0 CAADLO Cn1nnnc1C[NH2+][C@@H](CO)CNC(=O)CCC(F)F ZINC001410696508 889703536 /nfs/dbraw/zinc/70/35/36/889703536.db2.gz HDMAHNYRYXTKKT-SSDOTTSWSA-N 1 2 292.290 -1.178 20 0 CAADLO O=C(CCn1cc[nH+]c1)NC[C@@H](CO)NCc1cnon1 ZINC001410712568 889703713 /nfs/dbraw/zinc/70/37/13/889703713.db2.gz WMRIIJIHKGRYSA-NSHDSACASA-N 1 2 294.315 -1.077 20 0 CAADLO CCn1nncc1C[NH2+][C@H](CO)CNC(=O)c1cn[nH]n1 ZINC001410692449 889703745 /nfs/dbraw/zinc/70/37/45/889703745.db2.gz RGTHZPVKJBEMEX-QMMMGPOBSA-N 1 2 294.319 -1.703 20 0 CAADLO CCn1nncc1C[NH2+][C@H](CO)CNC(=O)c1cnn[nH]1 ZINC001410692449 889703748 /nfs/dbraw/zinc/70/37/48/889703748.db2.gz RGTHZPVKJBEMEX-QMMMGPOBSA-N 1 2 294.319 -1.703 20 0 CAADLO Cc1n[nH]cc1C(=O)NC[C@@H](CO)[NH2+]Cc1ncnn1C ZINC001410696237 889703790 /nfs/dbraw/zinc/70/37/90/889703790.db2.gz IKJBGEKBPIXXIJ-VIFPVBQESA-N 1 2 293.331 -1.273 20 0 CAADLO Cn1cc(C[NH2+][C@@H](CO)CNC(=O)[C@H]2CNC(=O)N2)nn1 ZINC001410729280 889705422 /nfs/dbraw/zinc/70/54/22/889705422.db2.gz PDECFMUGKUBOHL-RKDXNWHRSA-N 1 2 297.319 -2.937 20 0 CAADLO CN1C[C@H](C(=O)NC[C@@H](CO)[NH2+]Cc2ccon2)NC1=O ZINC001410715230 889705447 /nfs/dbraw/zinc/70/54/47/889705447.db2.gz WZPQVJDPVCSNFU-VHSXEESVSA-N 1 2 297.315 -1.735 20 0 CAADLO Cn1cnnc1C[NH2+][C@@H](CO)CNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001410722145 889705456 /nfs/dbraw/zinc/70/54/56/889705456.db2.gz KITBVTMTTULQDX-HLTSFMKQSA-N 1 2 296.331 -2.497 20 0 CAADLO Cn1cnnc1C[NH2+][C@H](CO)CNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001410722148 889705526 /nfs/dbraw/zinc/70/55/26/889705526.db2.gz KITBVTMTTULQDX-YIZRAAEISA-N 1 2 296.331 -2.497 20 0 CAADLO Cc1c[nH]c(C(=O)NC[C@H](CO)[NH2+]Cc2nnnn2C)n1 ZINC001410717716 889705560 /nfs/dbraw/zinc/70/55/60/889705560.db2.gz CBXVRHYPDGGQHA-MRVPVSSYSA-N 1 2 294.319 -1.878 20 0 CAADLO Cc1nnc(C[NH2+][C@H](CO)CNC(=O)c2ccnnc2)[nH]1 ZINC001410728234 889706950 /nfs/dbraw/zinc/70/69/50/889706950.db2.gz QNQDWGDBNPGZCI-JTQLQIEISA-N 1 2 291.315 -1.216 20 0 CAADLO Cc1nnc(C[NH2+][C@@H](CO)CNC(=O)c2ccnnc2)[nH]1 ZINC001410728236 889707277 /nfs/dbraw/zinc/70/72/77/889707277.db2.gz QNQDWGDBNPGZCI-SNVBAGLBSA-N 1 2 291.315 -1.216 20 0 CAADLO Cn1ncnc1C[NH2+][C@@H](CO)CNC(=O)[C@H]1CNC(=O)N1 ZINC001410736543 889710317 /nfs/dbraw/zinc/71/03/17/889710317.db2.gz VNJGKOQQDKPPAR-HTQZYQBOSA-N 1 2 297.319 -2.937 20 0 CAADLO CNC(=O)[C@H](C)[NH2+][C@@H](CO)CNC(=O)CCc1cnn[nH]1 ZINC001410738043 889710713 /nfs/dbraw/zinc/71/07/13/889710713.db2.gz ZZMKGOSAQZYERD-WCBMZHEXSA-N 1 2 298.347 -2.062 20 0 CAADLO Cn1ncnc1C[NH2+][C@H](CO)CNC(=O)[C@H]1CNC(=O)N1 ZINC001410736551 889711166 /nfs/dbraw/zinc/71/11/66/889711166.db2.gz VNJGKOQQDKPPAR-JGVFFNPUSA-N 1 2 297.319 -2.937 20 0 CAADLO CC(C)NC(=O)C[NH2+][C@@H](CO)CNC(=O)Cc1nnc[nH]1 ZINC001410768254 889712905 /nfs/dbraw/zinc/71/29/05/889712905.db2.gz LNSRNVMZDRJKLH-SECBINFHSA-N 1 2 298.347 -2.062 20 0 CAADLO Cc1nnc(C[NH2+][C@@H](CO)CNC(=O)c2ccn(C)n2)[nH]1 ZINC001410783183 889713139 /nfs/dbraw/zinc/71/31/39/889713139.db2.gz HTPRVJPHXHMTGN-SECBINFHSA-N 1 2 293.331 -1.273 20 0 CAADLO O=C(Cc1nnc[nH]1)NC[C@@H](CO)[NH2+][C@@H]1CCNC1=O ZINC001410773234 889714337 /nfs/dbraw/zinc/71/43/37/889714337.db2.gz RQQHCDFRGQBVET-JGVFFNPUSA-N 1 2 282.304 -2.698 20 0 CAADLO O=C(Cc1nnc[nH]1)NC[C@H](CO)[NH2+][C@H]1CCNC1=O ZINC001410773242 889714405 /nfs/dbraw/zinc/71/44/05/889714405.db2.gz RQQHCDFRGQBVET-SFYZADRCSA-N 1 2 282.304 -2.698 20 0 CAADLO O=C(Cc1nnc[nH]1)NC[C@H](CO)[NH2+][C@@H]1CCNC1=O ZINC001410773006 889714973 /nfs/dbraw/zinc/71/49/73/889714973.db2.gz RQQHCDFRGQBVET-HTQZYQBOSA-N 1 2 282.304 -2.698 20 0 CAADLO Cc1cc(C[NH2+][C@@H](CO)CNC(=O)Cc2nc[nH]n2)no1 ZINC001410770519 889715179 /nfs/dbraw/zinc/71/51/79/889715179.db2.gz OEDOFOBVRMMTRW-SNVBAGLBSA-N 1 2 294.315 -1.089 20 0 CAADLO O=C(Cn1cc[nH+]c1)NC[C@H](CO)NCc1cnon1 ZINC001410806252 889718968 /nfs/dbraw/zinc/71/89/68/889718968.db2.gz AKVKFFJTOAEGSF-SNVBAGLBSA-N 1 2 280.288 -1.467 20 0 CAADLO Cc1nnc(C[NH2+]C[C@@H](O)CN(C)C(=O)c2nc[nH]n2)o1 ZINC001411122170 889734917 /nfs/dbraw/zinc/73/49/17/889734917.db2.gz HEOJXQQYIFVODB-MRVPVSSYSA-N 1 2 295.303 -1.281 20 0 CAADLO Cc1ncc(C(=O)N(C)C[C@@H](O)C[N@@H+](C)[C@@H](C)C(N)=O)[nH]1 ZINC001411162169 889737075 /nfs/dbraw/zinc/73/70/75/889737075.db2.gz HZBNHSBHFKHVDP-WPRPVWTQSA-N 1 2 297.359 -1.043 20 0 CAADLO Cc1ncc(C(=O)N(C)C[C@@H](O)C[N@H+](C)[C@@H](C)C(N)=O)[nH]1 ZINC001411162169 889737079 /nfs/dbraw/zinc/73/70/79/889737079.db2.gz HZBNHSBHFKHVDP-WPRPVWTQSA-N 1 2 297.359 -1.043 20 0 CAADLO Cc1ncc(C(=O)N(C)C[C@H](O)C[N@@H+](C)[C@@H](C)C(N)=O)[nH]1 ZINC001411162164 889737852 /nfs/dbraw/zinc/73/78/52/889737852.db2.gz HZBNHSBHFKHVDP-WCBMZHEXSA-N 1 2 297.359 -1.043 20 0 CAADLO Cc1ncc(C(=O)N(C)C[C@H](O)C[N@H+](C)[C@@H](C)C(N)=O)[nH]1 ZINC001411162164 889737864 /nfs/dbraw/zinc/73/78/64/889737864.db2.gz HZBNHSBHFKHVDP-WCBMZHEXSA-N 1 2 297.359 -1.043 20 0 CAADLO CNC(=O)C[N@H+](C)CCN(C(=O)Cn1ncnn1)C(C)C ZINC001411187293 889742889 /nfs/dbraw/zinc/74/28/89/889742889.db2.gz MPAPTRROWHRWJE-UHFFFAOYSA-N 1 2 297.363 -1.412 20 0 CAADLO CNC(=O)C[N@@H+](C)CCN(C(=O)Cn1ncnn1)C(C)C ZINC001411187293 889742897 /nfs/dbraw/zinc/74/28/97/889742897.db2.gz MPAPTRROWHRWJE-UHFFFAOYSA-N 1 2 297.363 -1.412 20 0 CAADLO CC(=O)NCC(=O)N(CC[N@H+](C)CC(N)=O)C(C)C ZINC001411188138 889743058 /nfs/dbraw/zinc/74/30/58/889743058.db2.gz JWXIKTPIHVXSEC-UHFFFAOYSA-N 1 2 272.349 -1.223 20 0 CAADLO CC(=O)NCC(=O)N(CC[N@@H+](C)CC(N)=O)C(C)C ZINC001411188138 889743063 /nfs/dbraw/zinc/74/30/63/889743063.db2.gz JWXIKTPIHVXSEC-UHFFFAOYSA-N 1 2 272.349 -1.223 20 0 CAADLO CNC(=O)C[N@H+](CCNC(=O)c1cn(C)nn1)CCOC ZINC001411227983 889743981 /nfs/dbraw/zinc/74/39/81/889743981.db2.gz YSKDKDVMIXFMDG-UHFFFAOYSA-N 1 2 298.347 -1.761 20 0 CAADLO CNC(=O)C[N@@H+](CCNC(=O)c1cn(C)nn1)CCOC ZINC001411227983 889743993 /nfs/dbraw/zinc/74/39/93/889743993.db2.gz YSKDKDVMIXFMDG-UHFFFAOYSA-N 1 2 298.347 -1.761 20 0 CAADLO CC(C)N(CC[N@H+](C)CC(N)=O)C(=O)Cn1cncn1 ZINC001411195172 889744255 /nfs/dbraw/zinc/74/42/55/889744255.db2.gz MOWFYBCKZDKTPV-UHFFFAOYSA-N 1 2 282.348 -1.068 20 0 CAADLO CC(C)N(CC[N@@H+](C)CC(N)=O)C(=O)Cn1cncn1 ZINC001411195172 889744267 /nfs/dbraw/zinc/74/42/67/889744267.db2.gz MOWFYBCKZDKTPV-UHFFFAOYSA-N 1 2 282.348 -1.068 20 0 CAADLO CC(=O)N[C@@H](CC(=O)N[C@H](C)Cn1cc[nH+]c1)C(N)=O ZINC001411645760 889757441 /nfs/dbraw/zinc/75/74/41/889757441.db2.gz NPQSJCZKOGGVOT-SCZZXKLOSA-N 1 2 281.316 -1.232 20 0 CAADLO CC(=O)N[C@@H](CC(=O)N[C@@H](C)Cn1cc[nH+]c1)C(N)=O ZINC001411645770 889758005 /nfs/dbraw/zinc/75/80/05/889758005.db2.gz NPQSJCZKOGGVOT-WPRPVWTQSA-N 1 2 281.316 -1.232 20 0 CAADLO Cc1cc(NC(=O)[C@H](C)NC(=O)Cn2cnnn2)cc[nH+]1 ZINC001411797519 889764420 /nfs/dbraw/zinc/76/44/20/889764420.db2.gz ZFJCXKWVCWYXQQ-VIFPVBQESA-N 1 2 289.299 -1.058 20 0 CAADLO C[NH+]1CCN(C(=O)CCNC(=O)CCc2nn[nH]n2)CC1 ZINC001411777057 889765179 /nfs/dbraw/zinc/76/51/79/889765179.db2.gz NOVRYUVAIRSTLD-UHFFFAOYSA-N 1 2 295.347 -1.587 20 0 CAADLO Cc1[nH+]c[nH]c1CNC(=O)[C@H](C)NC(=O)Cn1cnnn1 ZINC001411852385 889767767 /nfs/dbraw/zinc/76/77/67/889767767.db2.gz ILQALDJOSNFJIK-QMMMGPOBSA-N 1 2 292.303 -1.474 20 0 CAADLO C[C@H](NC(=O)[C@@H](CO)NC(N)=O)[C@@H]1CN(C)CC[N@@H+]1C ZINC001411819480 889767835 /nfs/dbraw/zinc/76/78/35/889767835.db2.gz ZBKVUQOGACSYCO-AEJSXWLSSA-N 1 2 287.364 -2.234 20 0 CAADLO C[C@H](NC(=O)[C@@H](CO)NC(N)=O)[C@@H]1CN(C)CC[N@H+]1C ZINC001411819480 889767845 /nfs/dbraw/zinc/76/78/45/889767845.db2.gz ZBKVUQOGACSYCO-AEJSXWLSSA-N 1 2 287.364 -2.234 20 0 CAADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)c1cn[nH]c(=O)c1 ZINC001411877785 889769345 /nfs/dbraw/zinc/76/93/45/889769345.db2.gz IMIMDCOLIJPFTJ-LLVKDONJSA-N 1 2 296.327 -1.053 20 0 CAADLO NC(=O)NCCC(=O)NC1CC[NH+]([C@@H]2CCOC2=O)CC1 ZINC001411954562 889776892 /nfs/dbraw/zinc/77/68/92/889776892.db2.gz ONAQZMASGACDLD-SNVBAGLBSA-N 1 2 298.343 -1.059 20 0 CAADLO C[C@H](NC(N)=O)C(=O)NC1CC[NH+]([C@H]2CCOC2=O)CC1 ZINC001411954769 889777657 /nfs/dbraw/zinc/77/76/57/889777657.db2.gz QALKQQNVWUFTPK-WPRPVWTQSA-N 1 2 298.343 -1.061 20 0 CAADLO C[NH+](C)C[C@@H](CO)NC(=O)C1CC2(C1)CS(=O)(=O)C2 ZINC001412109599 889793377 /nfs/dbraw/zinc/79/33/77/889793377.db2.gz MHMZKRLHKPHEAR-JTQLQIEISA-N 1 2 290.385 -1.150 20 0 CAADLO Cc1[nH+]c2c(n1CCO)CC[C@@H](NC(=O)C1(O)COC1)C2 ZINC001412114829 889793992 /nfs/dbraw/zinc/79/39/92/889793992.db2.gz GDTOJDQCMHQOAG-SNVBAGLBSA-N 1 2 295.339 -1.081 20 0 CAADLO CC[C@@H](C(=O)NC[C@]1(O)CCS(=O)(=O)C1)[NH+](C)C ZINC001412137159 889794216 /nfs/dbraw/zinc/79/42/16/889794216.db2.gz LAVWULWCXIVZPM-GXSJLCMTSA-N 1 2 278.374 -1.008 20 0 CAADLO CC(=O)NCC(=O)NCC(=O)NCCc1cn(C)c[nH+]1 ZINC001412218840 889802856 /nfs/dbraw/zinc/80/28/56/889802856.db2.gz TXGGAJLYGXZUDP-UHFFFAOYSA-N 1 2 281.316 -1.669 20 0 CAADLO Cn1c[nH+]cc1CNC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001412275311 889808281 /nfs/dbraw/zinc/80/82/81/889808281.db2.gz OXOAQXFPICFGCP-QMMMGPOBSA-N 1 2 286.313 -2.051 20 0 CAADLO O=C(CC1C(=O)N=CNC1=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC001412311976 889810943 /nfs/dbraw/zinc/81/09/43/889810943.db2.gz PGRAOXZLJLIIJG-SECBINFHSA-N 1 2 294.311 -1.292 20 0 CAADLO O=C(CC1C(=O)N=CNC1=O)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC001412311976 889810953 /nfs/dbraw/zinc/81/09/53/889810953.db2.gz PGRAOXZLJLIIJG-SECBINFHSA-N 1 2 294.311 -1.292 20 0 CAADLO C[C@H](C(=O)NCc1nc(CO)n[nH]1)N1CC[NH+](C)CC1 ZINC001412362667 889816319 /nfs/dbraw/zinc/81/63/19/889816319.db2.gz HRCGBLVEGZKSLT-SECBINFHSA-N 1 2 282.348 -1.451 20 0 CAADLO C[N@@H+]1CCN(C(=O)c2cn(CC(N)=O)nn2)[C@H](CO)C1 ZINC001412381283 889817168 /nfs/dbraw/zinc/81/71/68/889817168.db2.gz WEYJFROAWVEOOL-QMMMGPOBSA-N 1 2 282.304 -2.488 20 0 CAADLO C[N@H+]1CCN(C(=O)c2cn(CC(N)=O)nn2)[C@H](CO)C1 ZINC001412381283 889817173 /nfs/dbraw/zinc/81/71/73/889817173.db2.gz WEYJFROAWVEOOL-QMMMGPOBSA-N 1 2 282.304 -2.488 20 0 CAADLO Cn1c[nH+]cc1[C@H](CO)NC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001412378330 889817328 /nfs/dbraw/zinc/81/73/28/889817328.db2.gz WZSAMRTXOMPDPG-UJNFCWOMSA-N 1 2 282.300 -1.397 20 0 CAADLO C[N@@H+]1C[C@@H](O)C[C@]1(C)C(=O)NCc1nc(O)cc(=O)[nH]1 ZINC001412373950 889817951 /nfs/dbraw/zinc/81/79/51/889817951.db2.gz GBDDKDCMWFVKPN-JVXZTZIISA-N 1 2 282.300 -1.041 20 0 CAADLO C[N@H+]1C[C@@H](O)C[C@]1(C)C(=O)NCc1nc(O)cc(=O)[nH]1 ZINC001412373950 889817967 /nfs/dbraw/zinc/81/79/67/889817967.db2.gz GBDDKDCMWFVKPN-JVXZTZIISA-N 1 2 282.300 -1.041 20 0 CAADLO C[N@@H+]1CCN(C(=O)c2cn(CC(N)=O)nn2)[C@@H](CO)C1 ZINC001412381277 889818163 /nfs/dbraw/zinc/81/81/63/889818163.db2.gz WEYJFROAWVEOOL-MRVPVSSYSA-N 1 2 282.304 -2.488 20 0 CAADLO C[N@H+]1CCN(C(=O)c2cn(CC(N)=O)nn2)[C@@H](CO)C1 ZINC001412381277 889818179 /nfs/dbraw/zinc/81/81/79/889818179.db2.gz WEYJFROAWVEOOL-MRVPVSSYSA-N 1 2 282.304 -2.488 20 0 CAADLO C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)NCc1nc(O)cc(=O)[nH]1 ZINC001412373955 889818439 /nfs/dbraw/zinc/81/84/39/889818439.db2.gz GBDDKDCMWFVKPN-KRTXAFLBSA-N 1 2 282.300 -1.041 20 0 CAADLO C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)NCc1nc(O)cc(=O)[nH]1 ZINC001412373955 889818451 /nfs/dbraw/zinc/81/84/51/889818451.db2.gz GBDDKDCMWFVKPN-KRTXAFLBSA-N 1 2 282.300 -1.041 20 0 CAADLO C[N@@H+]1CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)[C@@H](CO)C1 ZINC001412378305 889818655 /nfs/dbraw/zinc/81/86/55/889818655.db2.gz LHQMTSJDUXWSAO-KXUCPTDWSA-N 1 2 271.317 -1.846 20 0 CAADLO C[N@H+]1CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)[C@@H](CO)C1 ZINC001412378305 889818658 /nfs/dbraw/zinc/81/86/58/889818658.db2.gz LHQMTSJDUXWSAO-KXUCPTDWSA-N 1 2 271.317 -1.846 20 0 CAADLO Cn1c[nH+]cc1[C@H](CO)NC(=O)c1cc(=O)n(C)cn1 ZINC001412374025 889818705 /nfs/dbraw/zinc/81/87/05/889818705.db2.gz GFFPKXQBCLGOGX-VIFPVBQESA-N 1 2 277.284 -1.023 20 0 CAADLO NC(=O)[C@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@@H]1C(N)=O ZINC001412384862 889818775 /nfs/dbraw/zinc/81/87/75/889818775.db2.gz OGVVCKLLBVYISW-UWVGGRQHSA-N 1 2 293.327 -1.292 20 0 CAADLO C[N@@H+]1C[C@@H](O)C[C@@]1(C)C(=O)NCc1nc(O)cc(=O)[nH]1 ZINC001412373957 889818807 /nfs/dbraw/zinc/81/88/07/889818807.db2.gz GBDDKDCMWFVKPN-MADCSZMMSA-N 1 2 282.300 -1.041 20 0 CAADLO C[N@H+]1C[C@@H](O)C[C@@]1(C)C(=O)NCc1nc(O)cc(=O)[nH]1 ZINC001412373957 889818812 /nfs/dbraw/zinc/81/88/12/889818812.db2.gz GBDDKDCMWFVKPN-MADCSZMMSA-N 1 2 282.300 -1.041 20 0 CAADLO NC(=O)[C@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@@H]1C(N)=O ZINC001412401289 889822419 /nfs/dbraw/zinc/82/24/19/889822419.db2.gz NOQGEJPMALPMHK-IUCAKERBSA-N 1 2 279.300 -1.682 20 0 CAADLO NS(=O)(=O)NC1CN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001412423512 889827191 /nfs/dbraw/zinc/82/71/91/889827191.db2.gz XYZRRCMGWFVFRU-UHFFFAOYSA-N 1 2 295.324 -1.048 20 0 CAADLO NC(=O)N[C@@H](CO)C(=O)N1CC[NH2+][C@@H](c2cn[nH]c2)C1 ZINC001412419078 889827299 /nfs/dbraw/zinc/82/72/99/889827299.db2.gz PNDZGYMKBMKTMY-BDAKNGLRSA-N 1 2 282.304 -2.088 20 0 CAADLO O=C([C@@H]1CCS(=O)(=O)N1)N1CC[NH2+][C@@H](c2cn[nH]c2)C1 ZINC001412419030 889827921 /nfs/dbraw/zinc/82/79/21/889827921.db2.gz PEBZCTWMCTWIBF-VHSXEESVSA-N 1 2 299.356 -1.426 20 0 CAADLO O=C([C@@H]1CCS(=O)(=O)N1)N1CC[NH2+][C@H](c2cn[nH]c2)C1 ZINC001412419019 889828011 /nfs/dbraw/zinc/82/80/11/889828011.db2.gz PEBZCTWMCTWIBF-UWVGGRQHSA-N 1 2 299.356 -1.426 20 0 CAADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H]1CCC(=O)NC1 ZINC001412535576 889844479 /nfs/dbraw/zinc/84/44/79/889844479.db2.gz CDQQXZTWPNQJQU-SCZZXKLOSA-N 1 2 293.327 -1.291 20 0 CAADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H]1CCC(=O)NC1 ZINC001412535576 889844490 /nfs/dbraw/zinc/84/44/90/889844490.db2.gz CDQQXZTWPNQJQU-SCZZXKLOSA-N 1 2 293.327 -1.291 20 0 CAADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H]1C[C@H]1C(=O)OC ZINC001412535210 889845450 /nfs/dbraw/zinc/84/54/50/889845450.db2.gz AQECOVFAWQIINI-AEJSXWLSSA-N 1 2 294.311 -1.008 20 0 CAADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H]1C[C@H]1C(=O)OC ZINC001412535210 889845456 /nfs/dbraw/zinc/84/54/56/889845456.db2.gz AQECOVFAWQIINI-AEJSXWLSSA-N 1 2 294.311 -1.008 20 0 CAADLO NC(=O)C[N@@H+]1CCCN(C(=O)CCNC(=O)CO)CC1 ZINC001412526739 889845549 /nfs/dbraw/zinc/84/55/49/889845549.db2.gz DGSFDYYVKWUHKT-UHFFFAOYSA-N 1 2 286.332 -2.495 20 0 CAADLO NC(=O)C[N@H+]1CCCN(C(=O)CCNC(=O)CO)CC1 ZINC001412526739 889845551 /nfs/dbraw/zinc/84/55/51/889845551.db2.gz DGSFDYYVKWUHKT-UHFFFAOYSA-N 1 2 286.332 -2.495 20 0 CAADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H]1COCCO1 ZINC001412544525 889848370 /nfs/dbraw/zinc/84/83/70/889848370.db2.gz NRACKCYAMOOYPT-VHSXEESVSA-N 1 2 282.300 -1.402 20 0 CAADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H]1COCCO1 ZINC001412544525 889848375 /nfs/dbraw/zinc/84/83/75/889848375.db2.gz NRACKCYAMOOYPT-VHSXEESVSA-N 1 2 282.300 -1.402 20 0 CAADLO CN1CC[N@H+](C)C[C@H]1CNC(=O)CC1C(=O)N=CNC1=O ZINC001412542156 889848596 /nfs/dbraw/zinc/84/85/96/889848596.db2.gz NGVSWFPWOAEOPO-SECBINFHSA-N 1 2 295.343 -1.208 20 0 CAADLO CN1CC[N@@H+](C)C[C@H]1CNC(=O)CC1C(=O)N=CNC1=O ZINC001412542156 889848598 /nfs/dbraw/zinc/84/85/98/889848598.db2.gz NGVSWFPWOAEOPO-SECBINFHSA-N 1 2 295.343 -1.208 20 0 CAADLO CNC(=O)CN(CC(=O)NC)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001412545337 889848693 /nfs/dbraw/zinc/84/86/93/889848693.db2.gz AEKPTEAKODXGNT-VIFPVBQESA-N 1 2 295.343 -1.091 20 0 CAADLO CNC(=O)CN(CC(=O)NC)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001412545337 889848698 /nfs/dbraw/zinc/84/86/98/889848698.db2.gz AEKPTEAKODXGNT-VIFPVBQESA-N 1 2 295.343 -1.091 20 0 CAADLO O=C([C@@H]1CS(=O)(=O)CC(=O)N1)N1CC(n2cc[nH+]c2)C1 ZINC001412574819 889851579 /nfs/dbraw/zinc/85/15/79/889851579.db2.gz WGLAKNWDLFVVJX-VIFPVBQESA-N 1 2 298.324 -1.820 20 0 CAADLO CN(C)C(=O)C[N@@H+]1CCCN(C(=O)[C@@]2(O)CCOC2)CC1 ZINC001412586166 889851767 /nfs/dbraw/zinc/85/17/67/889851767.db2.gz BJNSRZJEPIANQY-CQSZACIVSA-N 1 2 299.371 -1.240 20 0 CAADLO CN(C)C(=O)C[N@H+]1CCCN(C(=O)[C@@]2(O)CCOC2)CC1 ZINC001412586166 889851782 /nfs/dbraw/zinc/85/17/82/889851782.db2.gz BJNSRZJEPIANQY-CQSZACIVSA-N 1 2 299.371 -1.240 20 0 CAADLO Cn1cc[nH+]c1CCNC(=O)c1cn(CC(N)=O)nn1 ZINC001412566891 889852492 /nfs/dbraw/zinc/85/24/92/889852492.db2.gz KRWJGNIMWMTCOJ-UHFFFAOYSA-N 1 2 277.288 -1.531 20 0 CAADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001412645897 889863157 /nfs/dbraw/zinc/86/31/57/889863157.db2.gz UGVIPKKBEQOPOB-AXFHLTTASA-N 1 2 285.344 -1.741 20 0 CAADLO COC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)CCNC(=O)CO ZINC001412682899 889865887 /nfs/dbraw/zinc/86/58/87/889865887.db2.gz CXUAKDAOHSKXSW-SECBINFHSA-N 1 2 298.299 -1.891 20 0 CAADLO COC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)CCNC(=O)CO ZINC001412682899 889865892 /nfs/dbraw/zinc/86/58/92/889865892.db2.gz CXUAKDAOHSKXSW-SECBINFHSA-N 1 2 298.299 -1.891 20 0 CAADLO COC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)CCNC(N)=O ZINC001412688591 889866504 /nfs/dbraw/zinc/86/65/04/889866504.db2.gz QUEDDENRIMVURQ-MRVPVSSYSA-N 1 2 283.288 -1.332 20 0 CAADLO COC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)CCNC(N)=O ZINC001412688591 889866518 /nfs/dbraw/zinc/86/65/18/889866518.db2.gz QUEDDENRIMVURQ-MRVPVSSYSA-N 1 2 283.288 -1.332 20 0 CAADLO C[C@H]1CN(C(=O)c2cn(CC(N)=O)nn2)CC[N@@H+]1CCO ZINC001412846479 889900023 /nfs/dbraw/zinc/90/00/23/889900023.db2.gz POSMJFQDWGULMA-VIFPVBQESA-N 1 2 296.331 -2.098 20 0 CAADLO C[C@H]1CN(C(=O)c2cn(CC(N)=O)nn2)CC[N@H+]1CCO ZINC001412846479 889900035 /nfs/dbraw/zinc/90/00/35/889900035.db2.gz POSMJFQDWGULMA-VIFPVBQESA-N 1 2 296.331 -2.098 20 0 CAADLO O=C(Cn1cc[nH+]c1)NC[C@H](CO)NC(=O)[C@H]1CCOC1 ZINC001412911034 889906690 /nfs/dbraw/zinc/90/66/90/889906690.db2.gz YKSHWIMATNGRFY-WDEREUQCSA-N 1 2 296.327 -1.487 20 0 CAADLO CCO[C@@H](C)C(=O)N[C@H](CO)CNC(=O)Cn1cc[nH+]c1 ZINC001412899374 889906985 /nfs/dbraw/zinc/90/69/85/889906985.db2.gz JMHLYXJRIVSIEX-QWRGUYRKSA-N 1 2 298.343 -1.099 20 0 CAADLO O=C(Cn1cc[nH+]c1)NC[C@H](CO)NC(=O)[C@@H]1CCOC1 ZINC001412911028 889907721 /nfs/dbraw/zinc/90/77/21/889907721.db2.gz YKSHWIMATNGRFY-GHMZBOCLSA-N 1 2 296.327 -1.487 20 0 CAADLO O=C(Cn1cc[nH+]c1)N[C@H](CO)CNC(=O)c1cn[nH]n1 ZINC001412908621 889908900 /nfs/dbraw/zinc/90/89/00/889908900.db2.gz FAXGGLRZHDTHTE-QMMMGPOBSA-N 1 2 293.287 -2.092 20 0 CAADLO COCC(=O)N[C@H](CO)CNC(=O)CCc1[nH+]ccn1C ZINC001412947913 889915495 /nfs/dbraw/zinc/91/54/95/889915495.db2.gz VQQUGARBAFZTNM-JTQLQIEISA-N 1 2 298.343 -1.408 20 0 CAADLO C[N@@H+]1CCC[C@@H]1c1cc(C(=O)N[C@@H](CO)C(N)=O)[nH]n1 ZINC001412938148 889916028 /nfs/dbraw/zinc/91/60/28/889916028.db2.gz GJTGZHNYZXUING-VHSXEESVSA-N 1 2 281.316 -1.248 20 0 CAADLO C[N@H+]1CCC[C@@H]1c1cc(C(=O)N[C@@H](CO)C(N)=O)[nH]n1 ZINC001412938148 889916040 /nfs/dbraw/zinc/91/60/40/889916040.db2.gz GJTGZHNYZXUING-VHSXEESVSA-N 1 2 281.316 -1.248 20 0 CAADLO CCCNC(=O)CNS(=O)(=O)N1CC[NH+](C)CC1 ZINC001413264030 889954797 /nfs/dbraw/zinc/95/47/97/889954797.db2.gz DLBFBDXBJUUKIC-UHFFFAOYSA-N 1 2 278.378 -1.406 20 0 CAADLO O=C(Cc1[nH]cc[nH+]1)NC[C@@]1(O)CCS(=O)(=O)C1 ZINC001412964616 889917601 /nfs/dbraw/zinc/91/76/01/889917601.db2.gz DEHSMJQYALSFKY-JTQLQIEISA-N 1 2 273.314 -1.382 20 0 CAADLO CC(=O)NCC(=O)N[C@H](CO)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001412963170 889918614 /nfs/dbraw/zinc/91/86/14/889918614.db2.gz GPFVVBOHHYIUSP-VIFPVBQESA-N 1 2 297.315 -2.318 20 0 CAADLO O=C(Cc1[nH]cc[nH+]1)NC[C@H](CO)NC(=O)[C@H]1CCCO1 ZINC001412952763 889918919 /nfs/dbraw/zinc/91/89/19/889918919.db2.gz FDIRJFDAYAAYFD-NXEZZACHSA-N 1 2 296.327 -1.276 20 0 CAADLO C[C@@H]1COCCN1CC[NH+]1CCN(CC(N)=O)CC1 ZINC001412972160 889921557 /nfs/dbraw/zinc/92/15/57/889921557.db2.gz MPFCKEYADSVIBT-GFCCVEGCSA-N 1 2 270.377 -1.190 20 0 CAADLO NC(=O)[C@]1([NH2+]CC(=O)NCC(=O)N2CCCC2)CCOC1 ZINC001413008278 889923810 /nfs/dbraw/zinc/92/38/10/889923810.db2.gz BMSCTXASXWTUKD-ZDUSSCGKSA-N 1 2 298.343 -2.041 20 0 CAADLO C[C@H](NC(=O)C[N@@H+]1CC[C@H](c2nn[nH]n2)C1)C(=O)N(C)C ZINC001413051703 889933195 /nfs/dbraw/zinc/93/31/95/889933195.db2.gz WBILXZPQOKMDRF-IUCAKERBSA-N 1 2 295.347 -1.418 20 0 CAADLO C[C@H](NC(=O)C[N@H+]1CC[C@H](c2nn[nH]n2)C1)C(=O)N(C)C ZINC001413051703 889933207 /nfs/dbraw/zinc/93/32/07/889933207.db2.gz WBILXZPQOKMDRF-IUCAKERBSA-N 1 2 295.347 -1.418 20 0 CAADLO CCOC(=O)CN(C)C(=O)C[NH2+][C@H](C)c1nnnn1C ZINC001413090334 889939637 /nfs/dbraw/zinc/93/96/37/889939637.db2.gz YPPBYEVLRCOEEA-MRVPVSSYSA-N 1 2 284.320 -1.118 20 0 CAADLO NC(=O)Cn1cc(C(=O)N[C@H]2CCc3c[nH+]cn3C2)nn1 ZINC001413185422 889943472 /nfs/dbraw/zinc/94/34/72/889943472.db2.gz HPARYFFFBIAWLV-QMMMGPOBSA-N 1 2 289.299 -1.295 20 0 CAADLO COCC(=O)N(C)C[C@H](O)CNC(=O)Cc1c[nH+]cn1C ZINC001413204638 889946450 /nfs/dbraw/zinc/94/64/50/889946450.db2.gz VONYXUHGALJPPU-LLVKDONJSA-N 1 2 298.343 -1.456 20 0 CAADLO NC(=O)NC1(C(=O)NCC[N@@H+]2CCC3(C2)OCCO3)CC1 ZINC001413294562 889955998 /nfs/dbraw/zinc/95/59/98/889955998.db2.gz CGHGHOUCIJGFKX-UHFFFAOYSA-N 1 2 298.343 -1.248 20 0 CAADLO NC(=O)NC1(C(=O)NCC[N@H+]2CCC3(C2)OCCO3)CC1 ZINC001413294562 889956015 /nfs/dbraw/zinc/95/60/15/889956015.db2.gz CGHGHOUCIJGFKX-UHFFFAOYSA-N 1 2 298.343 -1.248 20 0 CAADLO O=S(=O)(CCn1cc[nH+]c1)NCC1(CO)COC1 ZINC001413316379 889961672 /nfs/dbraw/zinc/96/16/72/889961672.db2.gz GRLRMWPZSKXWBQ-UHFFFAOYSA-N 1 2 275.330 -1.189 20 0 CAADLO CCOCC(=O)NC[C@@H](O)CN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001413316332 889961718 /nfs/dbraw/zinc/96/17/18/889961718.db2.gz SSHOXKIAIYZQQB-SNVBAGLBSA-N 1 2 298.343 -1.076 20 0 CAADLO COCC[C@@H](NS(=O)(=O)N1CC[NH+](C)CC1)C(N)=O ZINC001413323509 889962666 /nfs/dbraw/zinc/96/26/66/889962666.db2.gz RIZQMVLSXGZISX-SECBINFHSA-N 1 2 294.377 -2.041 20 0 CAADLO C[C@H](O)c1cn(CC(=O)N[C@@H](CO)c2c[nH+]cn2C)nn1 ZINC001413330308 889963271 /nfs/dbraw/zinc/96/32/71/889963271.db2.gz YQSHLKLDBNLGCG-WPRPVWTQSA-N 1 2 294.315 -1.085 20 0 CAADLO CCOC(=O)C[C@H](O)C(=O)N[C@H](CO)c1c[nH+]cn1C ZINC001413330361 889964377 /nfs/dbraw/zinc/96/43/77/889964377.db2.gz ZBVPVGRIIZYZJQ-SCZZXKLOSA-N 1 2 285.300 -1.116 20 0 CAADLO C[C@@H](NS(=O)(=O)N1CC[NH+](C)CC1)c1ncn(C)n1 ZINC001413327801 889964529 /nfs/dbraw/zinc/96/45/29/889964529.db2.gz MMNDHGXRMPPAIU-SECBINFHSA-N 1 2 288.377 -1.042 20 0 CAADLO C[C@@H](O)c1cn(CC(=O)N[C@@H](CO)c2c[nH+]cn2C)nn1 ZINC001413330297 889965032 /nfs/dbraw/zinc/96/50/32/889965032.db2.gz YQSHLKLDBNLGCG-SCZZXKLOSA-N 1 2 294.315 -1.085 20 0 CAADLO O=C(CCCn1cc[nH+]c1)N[C@@H]1CS(=O)(=O)C[C@H]1O ZINC001413373640 889972973 /nfs/dbraw/zinc/97/29/73/889972973.db2.gz VQCFHYHQHFINND-NXEZZACHSA-N 1 2 287.341 -1.063 20 0 CAADLO Cn1cc([C@@H]2CN(C(=O)[C@H](CO)NC(N)=O)CC[NH2+]2)cn1 ZINC001413374845 889976589 /nfs/dbraw/zinc/97/65/89/889976589.db2.gz GNIPCJGOCBWHBB-UWVGGRQHSA-N 1 2 296.331 -2.078 20 0 CAADLO NC(=O)[C@@H]1CC[C@H](C(=O)N2CC[NH2+][C@@H](c3cn[nH]c3)C2)O1 ZINC001413380647 889977350 /nfs/dbraw/zinc/97/73/50/889977350.db2.gz UYEGDDFSUPIRBV-OUAUKWLOSA-N 1 2 293.327 -1.085 20 0 CAADLO O=C(CCc1nn[nH]n1)NC[C@]1(CO)COCC[NH2+]1 ZINC001413417373 889979458 /nfs/dbraw/zinc/97/94/58/889979458.db2.gz BFMOFKJXSWVJJN-JTQLQIEISA-N 1 2 270.293 -2.401 20 0 CAADLO CC(=O)c1cn(CC(=O)N[C@H](CO)Cc2c[nH]c[nH+]2)nn1 ZINC001413423945 889981580 /nfs/dbraw/zinc/98/15/80/889981580.db2.gz BRTAZIYWZMTGCY-JTQLQIEISA-N 1 2 292.299 -1.076 20 0 CAADLO CC(=O)c1cn(CC(=O)N[C@H](CO)Cc2c[nH+]c[nH]2)nn1 ZINC001413423945 889981594 /nfs/dbraw/zinc/98/15/94/889981594.db2.gz BRTAZIYWZMTGCY-JTQLQIEISA-N 1 2 292.299 -1.076 20 0 CAADLO C[NH+]1CCN(C2CCN(C(=O)Cn3ncnn3)CC2)CC1 ZINC001413418049 889982127 /nfs/dbraw/zinc/98/21/27/889982127.db2.gz PPFAGVXGTBGJGQ-UHFFFAOYSA-N 1 2 293.375 -1.089 20 0 CAADLO COC(=O)[C@@H](NS(=O)(=O)N1CC[NH+](C)CC1)[C@@H](C)O ZINC001413439474 889982750 /nfs/dbraw/zinc/98/27/50/889982750.db2.gz UZUVZGVOQNFOQD-BDAKNGLRSA-N 1 2 295.361 -2.009 20 0 CAADLO NS(=O)(=O)CCCC(=O)N[C@H](CO)Cc1c[nH]c[nH+]1 ZINC001413431104 889983140 /nfs/dbraw/zinc/98/31/40/889983140.db2.gz DWMJKULOYQQHDL-VIFPVBQESA-N 1 2 290.345 -1.502 20 0 CAADLO NS(=O)(=O)CCCC(=O)N[C@H](CO)Cc1c[nH+]c[nH]1 ZINC001413431104 889983151 /nfs/dbraw/zinc/98/31/51/889983151.db2.gz DWMJKULOYQQHDL-VIFPVBQESA-N 1 2 290.345 -1.502 20 0 CAADLO O=C(CC1CS(=O)(=O)C1)N[C@H](CO)Cc1c[nH]c[nH+]1 ZINC001413436950 889984145 /nfs/dbraw/zinc/98/41/45/889984145.db2.gz OKBINXURSMHHRL-JTQLQIEISA-N 1 2 287.341 -1.136 20 0 CAADLO O=C(CC1CS(=O)(=O)C1)N[C@H](CO)Cc1c[nH+]c[nH]1 ZINC001413436950 889984157 /nfs/dbraw/zinc/98/41/57/889984157.db2.gz OKBINXURSMHHRL-JTQLQIEISA-N 1 2 287.341 -1.136 20 0 CAADLO C[C@H](O)[C@H](C)[N@@H+](C)CC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC001413949286 890029861 /nfs/dbraw/zinc/02/98/61/890029861.db2.gz BIALLBSEDWAFEE-GUBZILKMSA-N 1 2 278.374 -1.009 20 0 CAADLO CN1CCN(S(=O)(=O)CCn2cc[nH+]c2)C[C@H]1CO ZINC001413453119 889986472 /nfs/dbraw/zinc/98/64/72/889986472.db2.gz QQRQHGDBRSKDJH-NSHDSACASA-N 1 2 288.373 -1.179 20 0 CAADLO CCOC(=O)NCC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC ZINC001413501718 889990117 /nfs/dbraw/zinc/99/01/17/889990117.db2.gz GGSNKINAFQOTFD-VIFPVBQESA-N 1 2 297.315 -1.071 20 0 CAADLO CCOC(=O)NCC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC ZINC001413501718 889990125 /nfs/dbraw/zinc/99/01/25/889990125.db2.gz GGSNKINAFQOTFD-VIFPVBQESA-N 1 2 297.315 -1.071 20 0 CAADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H]1CCOC(=O)N1 ZINC001413506293 889992332 /nfs/dbraw/zinc/99/23/32/889992332.db2.gz ORYLHDWYVQUTBK-IUCAKERBSA-N 1 2 295.299 -1.319 20 0 CAADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H]1CCOC(=O)N1 ZINC001413506293 889992342 /nfs/dbraw/zinc/99/23/42/889992342.db2.gz ORYLHDWYVQUTBK-IUCAKERBSA-N 1 2 295.299 -1.319 20 0 CAADLO Cc1[nH+]c[nH]c1CC(=O)NCc1nnc2n1CCNC2=O ZINC001413473414 889992478 /nfs/dbraw/zinc/99/24/78/889992478.db2.gz DIJWZINTVLMUHS-UHFFFAOYSA-N 1 2 289.299 -1.088 20 0 CAADLO CC(C)(CNS(N)(=O)=O)NC(=O)Cc1[nH]cc[nH+]1 ZINC001413510314 889995226 /nfs/dbraw/zinc/99/52/26/889995226.db2.gz TZJAUMWAEAOQML-UHFFFAOYSA-N 1 2 275.334 -1.360 20 0 CAADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H]1CCC(=O)O1 ZINC001413511504 889995441 /nfs/dbraw/zinc/99/54/41/889995441.db2.gz ZBCKKWQJEJQSPL-DTWKUNHWSA-N 1 2 280.284 -1.111 20 0 CAADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H]1CCC(=O)O1 ZINC001413511504 889995457 /nfs/dbraw/zinc/99/54/57/889995457.db2.gz ZBCKKWQJEJQSPL-DTWKUNHWSA-N 1 2 280.284 -1.111 20 0 CAADLO O=C(CCc1[nH]cc[nH+]1)N1CCN2[C@@H](CNS2(=O)=O)C1 ZINC001413647497 890004535 /nfs/dbraw/zinc/00/45/35/890004535.db2.gz JFUJBQGPOYNMGR-VIFPVBQESA-N 1 2 299.356 -1.297 20 0 CAADLO CS(=O)(=O)C[C@H](O)CNC(=O)CCc1c[nH]c[nH+]1 ZINC001413735689 890007805 /nfs/dbraw/zinc/00/78/05/890007805.db2.gz CPSUFPCWZDBZTQ-SECBINFHSA-N 1 2 275.330 -1.136 20 0 CAADLO CS(=O)(=O)C[C@H](O)CNC(=O)CCc1c[nH+]c[nH]1 ZINC001413735689 890007818 /nfs/dbraw/zinc/00/78/18/890007818.db2.gz CPSUFPCWZDBZTQ-SECBINFHSA-N 1 2 275.330 -1.136 20 0 CAADLO Cn1c[nH+]cc1CC(=O)N1CC[C@H](S(N)(=O)=O)C1 ZINC001413847448 890022640 /nfs/dbraw/zinc/02/26/40/890022640.db2.gz KAWJUVSSYSPYLD-VIFPVBQESA-N 1 2 272.330 -1.148 20 0 CAADLO Cn1c[nH+]cc1CC(=O)N1CC[C@@H](S(N)(=O)=O)C1 ZINC001413847447 890023256 /nfs/dbraw/zinc/02/32/56/890023256.db2.gz KAWJUVSSYSPYLD-SECBINFHSA-N 1 2 272.330 -1.148 20 0 CAADLO C[C@H](CNC(=O)NCc1nc(N)n[nH]1)[NH+]1CCN(C)CC1 ZINC001413909660 890024863 /nfs/dbraw/zinc/02/48/63/890024863.db2.gz ZVFCXMSCVDMMJD-SECBINFHSA-N 1 2 296.379 -1.178 20 0 CAADLO C[C@@H](CNC(=O)NCc1nc(N)n[nH]1)[NH+]1CCN(C)CC1 ZINC001413909662 890025124 /nfs/dbraw/zinc/02/51/24/890025124.db2.gz ZVFCXMSCVDMMJD-VIFPVBQESA-N 1 2 296.379 -1.178 20 0 CAADLO COCC(=O)N[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1O ZINC001413946136 890028501 /nfs/dbraw/zinc/02/85/01/890028501.db2.gz NWICOOPUTKTVQP-GHMZBOCLSA-N 1 2 296.327 -1.323 20 0 CAADLO COCC(=O)N[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1O ZINC001413946136 890028519 /nfs/dbraw/zinc/02/85/19/890028519.db2.gz NWICOOPUTKTVQP-GHMZBOCLSA-N 1 2 296.327 -1.323 20 0 CAADLO C[C@H]([C@H](C)O)[N@H+](C)CC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC001413949298 890028801 /nfs/dbraw/zinc/02/88/01/890028801.db2.gz BIALLBSEDWAFEE-UTLUCORTSA-N 1 2 278.374 -1.009 20 0 CAADLO C[C@H]([C@H](C)O)[N@@H+](C)CC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC001413949298 890028816 /nfs/dbraw/zinc/02/88/16/890028816.db2.gz BIALLBSEDWAFEE-UTLUCORTSA-N 1 2 278.374 -1.009 20 0 CAADLO COCC(=O)N[C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1O ZINC001413949628 890029155 /nfs/dbraw/zinc/02/91/55/890029155.db2.gz URPJASCMLHSASS-GHMZBOCLSA-N 1 2 296.327 -1.405 20 0 CAADLO C[C@H]([C@H](C)O)[N@H+](C)CC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC001413949289 890029695 /nfs/dbraw/zinc/02/96/95/890029695.db2.gz BIALLBSEDWAFEE-KXUCPTDWSA-N 1 2 278.374 -1.009 20 0 CAADLO C[C@H]([C@H](C)O)[N@@H+](C)CC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC001413949289 890029712 /nfs/dbraw/zinc/02/97/12/890029712.db2.gz BIALLBSEDWAFEE-KXUCPTDWSA-N 1 2 278.374 -1.009 20 0 CAADLO C[C@H](O)[C@H](C)[N@H+](C)CC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC001413949286 890029847 /nfs/dbraw/zinc/02/98/47/890029847.db2.gz BIALLBSEDWAFEE-GUBZILKMSA-N 1 2 278.374 -1.009 20 0 CAADLO C[C@H](O)[C@H](C)[N@H+](C)CC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC001413949294 890030106 /nfs/dbraw/zinc/03/01/06/890030106.db2.gz BIALLBSEDWAFEE-LPEHRKFASA-N 1 2 278.374 -1.009 20 0 CAADLO C[C@H](O)[C@H](C)[N@@H+](C)CC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC001413949294 890030120 /nfs/dbraw/zinc/03/01/20/890030120.db2.gz BIALLBSEDWAFEE-LPEHRKFASA-N 1 2 278.374 -1.009 20 0 CAADLO COCC(=O)N[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1O ZINC001413941254 890030335 /nfs/dbraw/zinc/03/03/35/890030335.db2.gz DNYRAEAFAWOXFA-NXEZZACHSA-N 1 2 282.300 -1.714 20 0 CAADLO CNC(=O)Cc1noc(C[N@@H+]2C[C@H](O)C[C@H]2COC)n1 ZINC001414010992 890036060 /nfs/dbraw/zinc/03/60/60/890036060.db2.gz GZLZEWKNBLHWCN-DTWKUNHWSA-N 1 2 284.316 -1.060 20 0 CAADLO CNC(=O)Cc1noc(C[N@H+]2C[C@H](O)C[C@H]2COC)n1 ZINC001414010992 890036077 /nfs/dbraw/zinc/03/60/77/890036077.db2.gz GZLZEWKNBLHWCN-DTWKUNHWSA-N 1 2 284.316 -1.060 20 0 CAADLO C[C@@H](NC(=O)C[N@@H+]1CCC(CO)(CO)C1)C(=O)N(C)C ZINC001414017503 890036254 /nfs/dbraw/zinc/03/62/54/890036254.db2.gz PHSZVGSCQOIHJQ-SNVBAGLBSA-N 1 2 287.360 -1.744 20 0 CAADLO C[C@@H](NC(=O)C[N@H+]1CCC(CO)(CO)C1)C(=O)N(C)C ZINC001414017503 890036272 /nfs/dbraw/zinc/03/62/72/890036272.db2.gz PHSZVGSCQOIHJQ-SNVBAGLBSA-N 1 2 287.360 -1.744 20 0 CAADLO CN(C)S(=O)(=O)CCC[N@@H+]1CCOC[C@@H]1CC(N)=O ZINC001413997654 890036520 /nfs/dbraw/zinc/03/65/20/890036520.db2.gz DYILIBLQDMGGFA-JTQLQIEISA-N 1 2 293.389 -1.156 20 0 CAADLO CN(C)S(=O)(=O)CCC[N@H+]1CCOC[C@@H]1CC(N)=O ZINC001413997654 890036529 /nfs/dbraw/zinc/03/65/29/890036529.db2.gz DYILIBLQDMGGFA-JTQLQIEISA-N 1 2 293.389 -1.156 20 0 CAADLO CS(=O)(=O)NCC[N@@H+]1CCCC[C@H]1CS(N)(=O)=O ZINC001414032136 890040959 /nfs/dbraw/zinc/04/09/59/890040959.db2.gz FSWVFNLBNWMXTH-VIFPVBQESA-N 1 2 299.418 -1.321 20 0 CAADLO CS(=O)(=O)NCC[N@H+]1CCCC[C@H]1CS(N)(=O)=O ZINC001414032136 890040979 /nfs/dbraw/zinc/04/09/79/890040979.db2.gz FSWVFNLBNWMXTH-VIFPVBQESA-N 1 2 299.418 -1.321 20 0 CAADLO CNC(=O)Cc1noc(C[N@@H+]2CC[C@H](c3nn[nH]n3)C2)n1 ZINC001414031386 890041722 /nfs/dbraw/zinc/04/17/22/890041722.db2.gz AFODUEZTEHEQBW-ZETCQYMHSA-N 1 2 292.303 -1.139 20 0 CAADLO CNC(=O)Cc1noc(C[N@H+]2CC[C@H](c3nn[nH]n3)C2)n1 ZINC001414031386 890041736 /nfs/dbraw/zinc/04/17/36/890041736.db2.gz AFODUEZTEHEQBW-ZETCQYMHSA-N 1 2 292.303 -1.139 20 0 CAADLO CS(=O)(=O)N1CC(C[N@@H+]2C[C@H](O)C[C@H]2C(N)=O)C1 ZINC001414021674 890043877 /nfs/dbraw/zinc/04/38/77/890043877.db2.gz FESLDUHOIDUBRD-BDAKNGLRSA-N 1 2 277.346 -2.202 20 0 CAADLO CS(=O)(=O)N1CC(C[N@H+]2C[C@H](O)C[C@H]2C(N)=O)C1 ZINC001414021674 890043885 /nfs/dbraw/zinc/04/38/85/890043885.db2.gz FESLDUHOIDUBRD-BDAKNGLRSA-N 1 2 277.346 -2.202 20 0 CAADLO CC(C)(CS(C)(=O)=O)[NH2+]Cc1cn(CC(N)=O)nn1 ZINC001414130823 890044941 /nfs/dbraw/zinc/04/49/41/890044941.db2.gz IXRYMMLGOWFCHC-UHFFFAOYSA-N 1 2 289.361 -1.324 20 0 CAADLO CCS(=O)(=O)C[C@H](C)[NH2+]Cc1cn(CC(N)=O)nn1 ZINC001414083966 890045193 /nfs/dbraw/zinc/04/51/93/890045193.db2.gz FOMPNVPTRWWBCI-QMMMGPOBSA-N 1 2 289.361 -1.324 20 0 CAADLO NC(=O)Cn1cc(C[NH+]2CCC3(CNC(=O)O3)CC2)nn1 ZINC001414184633 890045523 /nfs/dbraw/zinc/04/55/23/890045523.db2.gz IRIYDPVBZHAYOA-UHFFFAOYSA-N 1 2 294.315 -1.162 20 0 CAADLO NC(=O)COC1CC[NH+](Cc2cn(CC(N)=O)nn2)CC1 ZINC001414129596 890046178 /nfs/dbraw/zinc/04/61/78/890046178.db2.gz QRUNIPYDWQYJSY-UHFFFAOYSA-N 1 2 296.331 -1.770 20 0 CAADLO COC(=O)Cn1cc(C[N@@H+]2CC[C@H](O)[C@@H](CO)C2)nn1 ZINC001414177664 890046256 /nfs/dbraw/zinc/04/62/56/890046256.db2.gz SMLZNXTZFRXPIV-KOLCDFICSA-N 1 2 284.316 -1.374 20 0 CAADLO COC(=O)Cn1cc(C[N@H+]2CC[C@H](O)[C@@H](CO)C2)nn1 ZINC001414177664 890046269 /nfs/dbraw/zinc/04/62/69/890046269.db2.gz SMLZNXTZFRXPIV-KOLCDFICSA-N 1 2 284.316 -1.374 20 0 CAADLO NC(=O)Cn1cc(C[N@@H+]2CCCn3nncc3C2)nn1 ZINC001414185807 890046409 /nfs/dbraw/zinc/04/64/09/890046409.db2.gz IYMKAHDRFDIWMX-UHFFFAOYSA-N 1 2 276.304 -1.239 20 0 CAADLO NC(=O)Cn1cc(C[N@H+]2CCCn3nncc3C2)nn1 ZINC001414185807 890046416 /nfs/dbraw/zinc/04/64/16/890046416.db2.gz IYMKAHDRFDIWMX-UHFFFAOYSA-N 1 2 276.304 -1.239 20 0 CAADLO C[N@H+](Cc1cc(=O)n2nc(N)[nH]c2n1)[C@@H]1COC[C@H]1O ZINC001414043553 890047118 /nfs/dbraw/zinc/04/71/18/890047118.db2.gz YBRBKZOUPVFJRK-HTQZYQBOSA-N 1 2 280.288 -1.809 20 0 CAADLO C[N@@H+](Cc1cc(=O)n2nc(N)[nH]c2n1)[C@@H]1COC[C@H]1O ZINC001414043553 890047128 /nfs/dbraw/zinc/04/71/28/890047128.db2.gz YBRBKZOUPVFJRK-HTQZYQBOSA-N 1 2 280.288 -1.809 20 0 CAADLO COC(=O)Cn1cc(C[N@@H+]2CC[C@@H](O)[C@@H](CO)C2)nn1 ZINC001414177681 890048418 /nfs/dbraw/zinc/04/84/18/890048418.db2.gz SMLZNXTZFRXPIV-MWLCHTKSSA-N 1 2 284.316 -1.374 20 0 CAADLO COC(=O)Cn1cc(C[N@H+]2CC[C@@H](O)[C@@H](CO)C2)nn1 ZINC001414177681 890048428 /nfs/dbraw/zinc/04/84/28/890048428.db2.gz SMLZNXTZFRXPIV-MWLCHTKSSA-N 1 2 284.316 -1.374 20 0 CAADLO CNS(=O)(=O)CCNS(=O)(=O)CCn1cc[nH+]c1 ZINC001414246676 890051304 /nfs/dbraw/zinc/05/13/04/890051304.db2.gz IJDXASRJYBMXTK-UHFFFAOYSA-N 1 2 296.374 -1.648 20 0 CAADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NS(=O)(=O)C1COC1 ZINC001414338620 890056988 /nfs/dbraw/zinc/05/69/88/890056988.db2.gz HOHBJJRAWDGBSI-VIFPVBQESA-N 1 2 288.329 -1.615 20 0 CAADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NS(=O)(=O)C1COC1 ZINC001414338620 890057000 /nfs/dbraw/zinc/05/70/00/890057000.db2.gz HOHBJJRAWDGBSI-VIFPVBQESA-N 1 2 288.329 -1.615 20 0 CAADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NS(=O)(=O)NC(C)C ZINC001414340596 890059032 /nfs/dbraw/zinc/05/90/32/890059032.db2.gz POXBDGNAEDOVCK-VIFPVBQESA-N 1 2 289.361 -1.101 20 0 CAADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NS(=O)(=O)NC(C)C ZINC001414340596 890059017 /nfs/dbraw/zinc/05/90/17/890059017.db2.gz POXBDGNAEDOVCK-VIFPVBQESA-N 1 2 289.361 -1.101 20 0 CAADLO C[C@H]1COCC[N@@H+]1CCNC(=O)N[C@@H]1COC[C@H]1O ZINC001414558124 890068566 /nfs/dbraw/zinc/06/85/66/890068566.db2.gz DXFHLMQMUWDDOC-HBNTYKKESA-N 1 2 273.333 -1.234 20 0 CAADLO C[C@H]1COCC[N@H+]1CCNC(=O)N[C@@H]1COC[C@H]1O ZINC001414558124 890068581 /nfs/dbraw/zinc/06/85/81/890068581.db2.gz DXFHLMQMUWDDOC-HBNTYKKESA-N 1 2 273.333 -1.234 20 0 CAADLO C[C@@H]1C[N@H+](CCNC(=O)NCc2nc(N)n[nH]2)CCO1 ZINC001414712470 890073108 /nfs/dbraw/zinc/07/31/08/890073108.db2.gz AFIZJCJAKKWOHB-MRVPVSSYSA-N 1 2 283.336 -1.093 20 0 CAADLO C[C@@H]1C[N@@H+](CCNC(=O)NCc2nc(N)n[nH]2)CCO1 ZINC001414712470 890073120 /nfs/dbraw/zinc/07/31/20/890073120.db2.gz AFIZJCJAKKWOHB-MRVPVSSYSA-N 1 2 283.336 -1.093 20 0 CAADLO C[C@H]1C[N@H+](CCNC(=O)NCc2nc(N)n[nH]2)CCO1 ZINC001414712473 890074590 /nfs/dbraw/zinc/07/45/90/890074590.db2.gz AFIZJCJAKKWOHB-QMMMGPOBSA-N 1 2 283.336 -1.093 20 0 CAADLO C[C@H]1C[N@@H+](CCNC(=O)NCc2nc(N)n[nH]2)CCO1 ZINC001414712473 890074608 /nfs/dbraw/zinc/07/46/08/890074608.db2.gz AFIZJCJAKKWOHB-QMMMGPOBSA-N 1 2 283.336 -1.093 20 0 CAADLO C[C@@H](CNC(=O)[C@H]1COCCO1)NC(=O)Cn1cc[nH+]c1 ZINC001415111793 890084150 /nfs/dbraw/zinc/08/41/50/890084150.db2.gz DHEXKBICQFMNJC-WDEREUQCSA-N 1 2 296.327 -1.081 20 0 CAADLO C[C@@H](CNC(=O)[C@@H]1COCCO1)NC(=O)Cn1cc[nH+]c1 ZINC001415111711 890084529 /nfs/dbraw/zinc/08/45/29/890084529.db2.gz DHEXKBICQFMNJC-QWRGUYRKSA-N 1 2 296.327 -1.081 20 0 CAADLO CN(CCNC(=O)Cn1cc[nH+]c1)C(=O)c1nc[nH]n1 ZINC001415538181 890096896 /nfs/dbraw/zinc/09/68/96/890096896.db2.gz RCXANGLQVVPQCI-UHFFFAOYSA-N 1 2 277.288 -1.110 20 0 CAADLO NC(=O)NCC(=O)N1CC(NC(=O)CCn2cc[nH+]c2)C1 ZINC001416025664 890109244 /nfs/dbraw/zinc/10/92/44/890109244.db2.gz AUBYIAZRUNXAOL-UHFFFAOYSA-N 1 2 294.315 -1.732 20 0 CAADLO COCC(=O)NC[C@@H](O)CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001416703254 890116344 /nfs/dbraw/zinc/11/63/44/890116344.db2.gz DQCHDWRHBGYMEB-MWLCHTKSSA-N 1 2 298.343 -1.172 20 0 CAADLO COCC(=O)NC[C@@H](O)CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001416703254 890116357 /nfs/dbraw/zinc/11/63/57/890116357.db2.gz DQCHDWRHBGYMEB-MWLCHTKSSA-N 1 2 298.343 -1.172 20 0 CAADLO COCC(=O)NC[C@H](O)CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001416703253 890116554 /nfs/dbraw/zinc/11/65/54/890116554.db2.gz DQCHDWRHBGYMEB-KOLCDFICSA-N 1 2 298.343 -1.172 20 0 CAADLO COCC(=O)NC[C@H](O)CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001416703253 890116561 /nfs/dbraw/zinc/11/65/61/890116561.db2.gz DQCHDWRHBGYMEB-KOLCDFICSA-N 1 2 298.343 -1.172 20 0 CAADLO COCC(=O)NC[C@H](O)CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001416703255 890116832 /nfs/dbraw/zinc/11/68/32/890116832.db2.gz DQCHDWRHBGYMEB-ONGXEEELSA-N 1 2 298.343 -1.172 20 0 CAADLO COCC(=O)NC[C@H](O)CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001416703255 890116839 /nfs/dbraw/zinc/11/68/39/890116839.db2.gz DQCHDWRHBGYMEB-ONGXEEELSA-N 1 2 298.343 -1.172 20 0 CAADLO COCC(=O)NC[C@H](O)CNC(=O)CCc1[nH+]ccn1C ZINC001416709951 890118670 /nfs/dbraw/zinc/11/86/70/890118670.db2.gz NOUMUMMRFNVJKY-SNVBAGLBSA-N 1 2 298.343 -1.408 20 0 CAADLO COCC(=O)NC[C@@H](O)CNC(=O)CCc1[nH+]ccn1C ZINC001416709945 890118901 /nfs/dbraw/zinc/11/89/01/890118901.db2.gz NOUMUMMRFNVJKY-JTQLQIEISA-N 1 2 298.343 -1.408 20 0 CAADLO CCOCC(=O)NC[C@@H](O)CNC(=O)Cc1[nH]c[nH+]c1C ZINC001416723874 890122250 /nfs/dbraw/zinc/12/22/50/890122250.db2.gz NQLJLTWUCSHKJY-JTQLQIEISA-N 1 2 298.343 -1.110 20 0 CAADLO O=C(Cc1[nH]cc[nH+]1)NC[C@H](O)CNC(=O)c1cnco1 ZINC001416778052 890126526 /nfs/dbraw/zinc/12/65/26/890126526.db2.gz ODJNSTJAHXPVKS-QMMMGPOBSA-N 1 2 293.283 -1.153 20 0 CAADLO C[C@H](CNC(=O)Cc1c[nH]c[nH+]1)NC(=O)[C@H]1CCC(=O)N1 ZINC001416797005 890129334 /nfs/dbraw/zinc/12/93/34/890129334.db2.gz KMRZGFVCQQBWHM-PSASIEDQSA-N 1 2 293.327 -1.148 20 0 CAADLO C[C@H](CNC(=O)[C@H]1COC(=O)N1)NC(=O)Cn1cc[nH+]c1 ZINC001416828042 890130566 /nfs/dbraw/zinc/13/05/66/890130566.db2.gz AAPKGQBNAPOOEK-RKDXNWHRSA-N 1 2 295.299 -1.388 20 0 CAADLO C[C@@H](CNC(=O)[C@H]1COC(=O)N1)NC(=O)Cn1cc[nH+]c1 ZINC001416909341 890132842 /nfs/dbraw/zinc/13/28/42/890132842.db2.gz AAPKGQBNAPOOEK-DTWKUNHWSA-N 1 2 295.299 -1.388 20 0 CAADLO C[C@@H](CNC(=O)Cn1cc[nH+]c1)NC(=O)c1cnn(C)n1 ZINC001416918657 890133248 /nfs/dbraw/zinc/13/32/48/890133248.db2.gz HPVDBIWZGXLRMX-VIFPVBQESA-N 1 2 291.315 -1.054 20 0 CAADLO C[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)NC(=O)[C@H]1CCC(=O)N1 ZINC001416879486 890133474 /nfs/dbraw/zinc/13/34/74/890133474.db2.gz KMRZGFVCQQBWHM-WCBMZHEXSA-N 1 2 293.327 -1.148 20 0 CAADLO C[C@@H](CNC(=O)Cn1nccn1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001416951413 890134504 /nfs/dbraw/zinc/13/45/04/890134504.db2.gz JJUDEUSZUULLEM-VIFPVBQESA-N 1 2 291.315 -1.135 20 0 CAADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)CCCS(N)(=O)=O ZINC001417611045 890144861 /nfs/dbraw/zinc/14/48/61/890144861.db2.gz LPIXJZSQXFFAEN-JTQLQIEISA-N 1 2 293.389 -1.108 20 0 CAADLO NS(=O)(=O)CCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001417613102 890145296 /nfs/dbraw/zinc/14/52/96/890145296.db2.gz SMQIXOXOMUMXHU-QMMMGPOBSA-N 1 2 272.330 -1.150 20 0 CAADLO O=C(C1=C2CCCN=C2NN1)N1CC[NH+](CCO)CC1 ZINC001417607311 890145749 /nfs/dbraw/zinc/14/57/49/890145749.db2.gz VZBHDZRKFYFYJV-UHFFFAOYSA-N 1 2 279.344 -1.323 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H](C)CC(N)=O ZINC001417745462 890168368 /nfs/dbraw/zinc/16/83/68/890168368.db2.gz UZFAQKYFTXYXHK-ZJUUUORDSA-N 1 2 284.360 -1.223 20 0 CAADLO COCC(=O)N[C@H]1CC[N@H+](CC(=O)NC(N)=O)[C@@H]1C ZINC001417835921 890173620 /nfs/dbraw/zinc/17/36/20/890173620.db2.gz DYHLDKYBFIISPU-SFYZADRCSA-N 1 2 272.305 -1.593 20 0 CAADLO COCC(=O)N[C@H]1CC[N@@H+](CC(=O)NC(N)=O)[C@@H]1C ZINC001417835921 890173622 /nfs/dbraw/zinc/17/36/22/890173622.db2.gz DYHLDKYBFIISPU-SFYZADRCSA-N 1 2 272.305 -1.593 20 0 CAADLO C[C@@H]1[C@@H](NC(=O)[C@@H]2CCCO2)CC[N@@H+]1CC(=O)NC(N)=O ZINC001417835907 890173800 /nfs/dbraw/zinc/17/38/00/890173800.db2.gz DGRCMWUEDLPLIE-UTLUCORTSA-N 1 2 298.343 -1.061 20 0 CAADLO C[C@@H]1[C@@H](NC(=O)[C@@H]2CCCO2)CC[N@H+]1CC(=O)NC(N)=O ZINC001417835907 890173802 /nfs/dbraw/zinc/17/38/02/890173802.db2.gz DGRCMWUEDLPLIE-UTLUCORTSA-N 1 2 298.343 -1.061 20 0 CAADLO C[C@H](C(N)=O)[NH+]1CCN(CCNC(=O)c2cn[nH]c2)CC1 ZINC001417914580 890178152 /nfs/dbraw/zinc/17/81/52/890178152.db2.gz AAZIPYYCMZWKIY-SNVBAGLBSA-N 1 2 294.359 -1.369 20 0 CAADLO C[C@H](C(=O)NC(N)=O)[N@@H+]1CC[C@H](NC(=O)c2ccn[nH]2)C1 ZINC001417933340 890179099 /nfs/dbraw/zinc/17/90/99/890179099.db2.gz GNPXZVIDYGWUNK-SFYZADRCSA-N 1 2 294.315 -1.203 20 0 CAADLO C[C@H](C(=O)NC(N)=O)[N@H+]1CC[C@H](NC(=O)c2ccn[nH]2)C1 ZINC001417933340 890179105 /nfs/dbraw/zinc/17/91/05/890179105.db2.gz GNPXZVIDYGWUNK-SFYZADRCSA-N 1 2 294.315 -1.203 20 0 CAADLO CCNC(=O)NC(=O)C[N@@H+]1CC[C@H](NC(=O)COC)C1 ZINC001417927446 890179165 /nfs/dbraw/zinc/17/91/65/890179165.db2.gz IDHRJOFWBQLKLJ-VIFPVBQESA-N 1 2 286.332 -1.331 20 0 CAADLO CCNC(=O)NC(=O)C[N@H+]1CC[C@H](NC(=O)COC)C1 ZINC001417927446 890179170 /nfs/dbraw/zinc/17/91/70/890179170.db2.gz IDHRJOFWBQLKLJ-VIFPVBQESA-N 1 2 286.332 -1.331 20 0 CAADLO CCO[C@H](C)C(=O)N[C@H]1CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001417931823 890179477 /nfs/dbraw/zinc/17/94/77/890179477.db2.gz PJZQGVWRKFAIKA-BDAKNGLRSA-N 1 2 286.332 -1.203 20 0 CAADLO CCO[C@H](C)C(=O)N[C@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001417931823 890179483 /nfs/dbraw/zinc/17/94/83/890179483.db2.gz PJZQGVWRKFAIKA-BDAKNGLRSA-N 1 2 286.332 -1.203 20 0 CAADLO Cc1cc(C(=O)N[C@@H]2CC[N@H+](CC(=O)NC(N)=O)C2)[nH]n1 ZINC001417933025 890179581 /nfs/dbraw/zinc/17/95/81/890179581.db2.gz ZJAFTWFUKBSTBP-MRVPVSSYSA-N 1 2 294.315 -1.283 20 0 CAADLO Cc1cc(C(=O)N[C@@H]2CC[N@@H+](CC(=O)NC(N)=O)C2)[nH]n1 ZINC001417933025 890179588 /nfs/dbraw/zinc/17/95/88/890179588.db2.gz ZJAFTWFUKBSTBP-MRVPVSSYSA-N 1 2 294.315 -1.283 20 0 CAADLO C[C@@H](C(=O)NC(N)=O)[N@@H+]1CC[C@@H](NC(=O)c2ccn[nH]2)C1 ZINC001417933338 890179952 /nfs/dbraw/zinc/17/99/52/890179952.db2.gz GNPXZVIDYGWUNK-JGVFFNPUSA-N 1 2 294.315 -1.203 20 0 CAADLO C[C@@H](C(=O)NC(N)=O)[N@H+]1CC[C@@H](NC(=O)c2ccn[nH]2)C1 ZINC001417933338 890179955 /nfs/dbraw/zinc/17/99/55/890179955.db2.gz GNPXZVIDYGWUNK-JGVFFNPUSA-N 1 2 294.315 -1.203 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)CCCS(N)(=O)=O)C1 ZINC001417943781 890181538 /nfs/dbraw/zinc/18/15/38/890181538.db2.gz LBFUAOZTQQXRPH-QMMMGPOBSA-N 1 2 292.361 -2.269 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)CCCS(N)(=O)=O)C1 ZINC001417943781 890181543 /nfs/dbraw/zinc/18/15/43/890181543.db2.gz LBFUAOZTQQXRPH-QMMMGPOBSA-N 1 2 292.361 -2.269 20 0 CAADLO CCC[C@@H](NC(N)=O)C(=O)N[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001417947550 890181710 /nfs/dbraw/zinc/18/17/10/890181710.db2.gz RRVAYXTUKAEGCV-RKDXNWHRSA-N 1 2 285.348 -1.501 20 0 CAADLO CCC[C@@H](NC(N)=O)C(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001417947550 890181714 /nfs/dbraw/zinc/18/17/14/890181714.db2.gz RRVAYXTUKAEGCV-RKDXNWHRSA-N 1 2 285.348 -1.501 20 0 CAADLO CCCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001417948388 890181727 /nfs/dbraw/zinc/18/17/27/890181727.db2.gz ZMQMEQDJTLSLPG-QWRGUYRKSA-N 1 2 296.371 -1.018 20 0 CAADLO CCCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001417948388 890181732 /nfs/dbraw/zinc/18/17/32/890181732.db2.gz ZMQMEQDJTLSLPG-QWRGUYRKSA-N 1 2 296.371 -1.018 20 0 CAADLO Cn1nnc(C[NH2+][C@H](CNC(=O)c2cnon2)C2CC2)n1 ZINC001418003840 890184512 /nfs/dbraw/zinc/18/45/12/890184512.db2.gz SFFRRADTFIXJOB-MRVPVSSYSA-N 1 2 292.303 -1.109 20 0 CAADLO NC(=O)c1ncn(CC(=O)N[C@H]2CCn3c[nH+]cc3C2)n1 ZINC001418163760 890192503 /nfs/dbraw/zinc/19/25/03/890192503.db2.gz VTZMOYITLBAFFX-QMMMGPOBSA-N 1 2 289.299 -1.295 20 0 CAADLO CCC(=O)NCC(=O)NCC[N@@H+](C)CC(=O)N(C)C ZINC001418449912 890219942 /nfs/dbraw/zinc/21/99/42/890219942.db2.gz XSAPMZXTUNPJHD-UHFFFAOYSA-N 1 2 272.349 -1.351 20 0 CAADLO COC[C@H](C)C(=O)NC[C@H](C)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001418199226 890195888 /nfs/dbraw/zinc/19/58/88/890195888.db2.gz DNWBMZYUGVWTTA-IUCAKERBSA-N 1 2 285.348 -1.015 20 0 CAADLO COC[C@H](C)C(=O)NC[C@@H](C)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001418199225 890196306 /nfs/dbraw/zinc/19/63/06/890196306.db2.gz DNWBMZYUGVWTTA-DTWKUNHWSA-N 1 2 285.348 -1.015 20 0 CAADLO C[C@H](CNC(=O)Cn1ncnn1)[NH2+]Cc1cnsn1 ZINC001418228258 890201112 /nfs/dbraw/zinc/20/11/12/890201112.db2.gz QODREWXUBQRPQW-SSDOTTSWSA-N 1 2 282.333 -1.181 20 0 CAADLO C[C@H](C(=O)N1CCC(O)(CO)CC1)[NH+]1CCN(C)CC1 ZINC001418387334 890215146 /nfs/dbraw/zinc/21/51/46/890215146.db2.gz NWSUPHYDFNBCNX-GFCCVEGCSA-N 1 2 285.388 -1.032 20 0 CAADLO CCN(C)C(=O)C[N@H+](C)CCNC(=O)CN(C)C(C)=O ZINC001418438119 890215758 /nfs/dbraw/zinc/21/57/58/890215758.db2.gz GQBFRBOKJMETOA-UHFFFAOYSA-N 1 2 286.376 -1.009 20 0 CAADLO CCN(C)C(=O)C[N@@H+](C)CCNC(=O)CN(C)C(C)=O ZINC001418438119 890215775 /nfs/dbraw/zinc/21/57/75/890215775.db2.gz GQBFRBOKJMETOA-UHFFFAOYSA-N 1 2 286.376 -1.009 20 0 CAADLO CN(C(=O)C[N@H+](C)CCNC(=O)Cn1cnnn1)C1CC1 ZINC001418435164 890216317 /nfs/dbraw/zinc/21/63/17/890216317.db2.gz KWLWYNHJKYXFDH-UHFFFAOYSA-N 1 2 295.347 -1.658 20 0 CAADLO CN(C(=O)C[N@@H+](C)CCNC(=O)Cn1cnnn1)C1CC1 ZINC001418435164 890216328 /nfs/dbraw/zinc/21/63/28/890216328.db2.gz KWLWYNHJKYXFDH-UHFFFAOYSA-N 1 2 295.347 -1.658 20 0 CAADLO CC(=O)N[C@H](C)C(=O)NCC[N@H+](C)CC(=O)N1CCC1 ZINC001418437695 890218263 /nfs/dbraw/zinc/21/82/63/890218263.db2.gz CXPFRMMRYPKGJW-SNVBAGLBSA-N 1 2 284.360 -1.209 20 0 CAADLO CC(=O)N[C@H](C)C(=O)NCC[N@@H+](C)CC(=O)N1CCC1 ZINC001418437695 890218275 /nfs/dbraw/zinc/21/82/75/890218275.db2.gz CXPFRMMRYPKGJW-SNVBAGLBSA-N 1 2 284.360 -1.209 20 0 CAADLO CCCNC(=O)C[N@H+](C)CCNC(=O)[C@H]1CCC(=O)N1 ZINC001418449199 890219213 /nfs/dbraw/zinc/21/92/13/890219213.db2.gz RPXWMSBIULTQMM-SNVBAGLBSA-N 1 2 284.360 -1.161 20 0 CAADLO CCCNC(=O)C[N@@H+](C)CCNC(=O)[C@H]1CCC(=O)N1 ZINC001418449199 890219232 /nfs/dbraw/zinc/21/92/32/890219232.db2.gz RPXWMSBIULTQMM-SNVBAGLBSA-N 1 2 284.360 -1.161 20 0 CAADLO CCC(=O)NCC(=O)NCC[N@H+](C)CC(=O)N(C)C ZINC001418449912 890219930 /nfs/dbraw/zinc/21/99/30/890219930.db2.gz XSAPMZXTUNPJHD-UHFFFAOYSA-N 1 2 272.349 -1.351 20 0 CAADLO NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001418447812 890220355 /nfs/dbraw/zinc/22/03/55/890220355.db2.gz QZCYSRCFJOHVGD-IEBDPFPHSA-N 1 2 278.312 -1.107 20 0 CAADLO C[N@H+](CCNC(=O)c1cccn2nnnc12)CC(N)=O ZINC001418463449 890221036 /nfs/dbraw/zinc/22/10/36/890221036.db2.gz SMYHYGOONIDLMM-UHFFFAOYSA-N 1 2 277.288 -1.729 20 0 CAADLO C[N@@H+](CCNC(=O)c1cccn2nnnc12)CC(N)=O ZINC001418463449 890221046 /nfs/dbraw/zinc/22/10/46/890221046.db2.gz SMYHYGOONIDLMM-UHFFFAOYSA-N 1 2 277.288 -1.729 20 0 CAADLO CN(C)c1cnc(C(=O)NCC[N@H+](C)CC(N)=O)cn1 ZINC001418460055 890221393 /nfs/dbraw/zinc/22/13/93/890221393.db2.gz ITNFQMXSFRKNBZ-UHFFFAOYSA-N 1 2 280.332 -1.311 20 0 CAADLO CN(C)c1cnc(C(=O)NCC[N@@H+](C)CC(N)=O)cn1 ZINC001418460055 890221410 /nfs/dbraw/zinc/22/14/10/890221410.db2.gz ITNFQMXSFRKNBZ-UHFFFAOYSA-N 1 2 280.332 -1.311 20 0 CAADLO C[N@H+](CCNC(=O)CC1CC1)CC(=O)N1CCNC(=O)C1 ZINC001418441894 890221705 /nfs/dbraw/zinc/22/17/05/890221705.db2.gz YHQPSCLUNFLXBK-UHFFFAOYSA-N 1 2 296.371 -1.207 20 0 CAADLO C[N@@H+](CCNC(=O)CC1CC1)CC(=O)N1CCNC(=O)C1 ZINC001418441894 890221720 /nfs/dbraw/zinc/22/17/20/890221720.db2.gz YHQPSCLUNFLXBK-UHFFFAOYSA-N 1 2 296.371 -1.207 20 0 CAADLO CCNC(=O)C[N@H+](C)CCNC(=O)c1cnn(C)c1N ZINC001418458499 890221750 /nfs/dbraw/zinc/22/17/50/890221750.db2.gz YRQJSAYSHXRPKB-UHFFFAOYSA-N 1 2 282.348 -1.200 20 0 CAADLO CCNC(=O)C[N@@H+](C)CCNC(=O)c1cnn(C)c1N ZINC001418458499 890221764 /nfs/dbraw/zinc/22/17/64/890221764.db2.gz YRQJSAYSHXRPKB-UHFFFAOYSA-N 1 2 282.348 -1.200 20 0 CAADLO CCC(=O)N[C@@H](C)C(=O)NCC[N@H+](C)CC(=O)NC ZINC001418464359 890222580 /nfs/dbraw/zinc/22/25/80/890222580.db2.gz YQMLFBQZKBESRT-VIFPVBQESA-N 1 2 272.349 -1.305 20 0 CAADLO CCC(=O)N[C@@H](C)C(=O)NCC[N@@H+](C)CC(=O)NC ZINC001418464359 890222595 /nfs/dbraw/zinc/22/25/95/890222595.db2.gz YQMLFBQZKBESRT-VIFPVBQESA-N 1 2 272.349 -1.305 20 0 CAADLO C[C@H](NC(N)=O)C(=O)NCC[N@H+](C)CC(=O)N1CCC1 ZINC001418457547 890222960 /nfs/dbraw/zinc/22/29/60/890222960.db2.gz JKRVUTBNNBYEAM-VIFPVBQESA-N 1 2 285.348 -1.677 20 0 CAADLO C[C@H](NC(N)=O)C(=O)NCC[N@@H+](C)CC(=O)N1CCC1 ZINC001418457547 890222979 /nfs/dbraw/zinc/22/29/79/890222979.db2.gz JKRVUTBNNBYEAM-VIFPVBQESA-N 1 2 285.348 -1.677 20 0 CAADLO CNC(=O)[C@H](C)[N@H+](C)CCNC(=O)CCc1nnc[nH]1 ZINC001418451225 890223188 /nfs/dbraw/zinc/22/31/88/890223188.db2.gz MPCWBIVLKSTSSK-VIFPVBQESA-N 1 2 282.348 -1.080 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)CCc1nnc[nH]1 ZINC001418451225 890223201 /nfs/dbraw/zinc/22/32/01/890223201.db2.gz MPCWBIVLKSTSSK-VIFPVBQESA-N 1 2 282.348 -1.080 20 0 CAADLO C[C@H](CC(N)=O)C(=O)NCC[N@H+](C)Cc1nc(=O)n(C)[nH]1 ZINC001418485616 890225024 /nfs/dbraw/zinc/22/50/24/890225024.db2.gz BOUWHMDDZCKFND-MRVPVSSYSA-N 1 2 298.347 -1.832 20 0 CAADLO C[C@H](CC(N)=O)C(=O)NCC[N@@H+](C)Cc1nc(=O)n(C)[nH]1 ZINC001418485616 890225041 /nfs/dbraw/zinc/22/50/41/890225041.db2.gz BOUWHMDDZCKFND-MRVPVSSYSA-N 1 2 298.347 -1.832 20 0 CAADLO CCN1CCOC[C@@H]1C(=O)NCC[N@H+](C)CC(N)=O ZINC001418473790 890225159 /nfs/dbraw/zinc/22/51/59/890225159.db2.gz MWZKKZWZYJRRAJ-SNVBAGLBSA-N 1 2 272.349 -1.760 20 0 CAADLO CCN1CCOC[C@@H]1C(=O)NCC[N@@H+](C)CC(N)=O ZINC001418473790 890225171 /nfs/dbraw/zinc/22/51/71/890225171.db2.gz MWZKKZWZYJRRAJ-SNVBAGLBSA-N 1 2 272.349 -1.760 20 0 CAADLO CN(CC(=O)NCC[N@H+](C)CC(N)=O)S(C)(=O)=O ZINC001418467003 890225838 /nfs/dbraw/zinc/22/58/38/890225838.db2.gz UMHHPDNIQKQPCT-UHFFFAOYSA-N 1 2 280.350 -2.589 20 0 CAADLO CN(CC(=O)NCC[N@@H+](C)CC(N)=O)S(C)(=O)=O ZINC001418467003 890225855 /nfs/dbraw/zinc/22/58/55/890225855.db2.gz UMHHPDNIQKQPCT-UHFFFAOYSA-N 1 2 280.350 -2.589 20 0 CAADLO CN1C(=O)CC[C@H]1C(=O)NCC[N@H+](C)CC(=O)N1CCC1 ZINC001418491508 890226000 /nfs/dbraw/zinc/22/60/00/890226000.db2.gz VYTUQQMINIRZIY-NSHDSACASA-N 1 2 296.371 -1.113 20 0 CAADLO CN1C(=O)CC[C@H]1C(=O)NCC[N@@H+](C)CC(=O)N1CCC1 ZINC001418491508 890226015 /nfs/dbraw/zinc/22/60/15/890226015.db2.gz VYTUQQMINIRZIY-NSHDSACASA-N 1 2 296.371 -1.113 20 0 CAADLO CNC(=O)C[N@H+](C)CCNC(=O)c1ccn(CCOC)n1 ZINC001418477081 890226805 /nfs/dbraw/zinc/22/68/05/890226805.db2.gz YFYCSDAFTZDFHP-UHFFFAOYSA-N 1 2 297.359 -1.063 20 0 CAADLO CNC(=O)C[N@@H+](C)CCNC(=O)c1ccn(CCOC)n1 ZINC001418477081 890226819 /nfs/dbraw/zinc/22/68/19/890226819.db2.gz YFYCSDAFTZDFHP-UHFFFAOYSA-N 1 2 297.359 -1.063 20 0 CAADLO C[N@H+](CCNC(=O)[C@@H]1CCCc2nn[nH]c21)CC(N)=O ZINC001418491184 890227084 /nfs/dbraw/zinc/22/70/84/890227084.db2.gz WKJCZAVJKOAQCK-MRVPVSSYSA-N 1 2 280.332 -1.242 20 0 CAADLO C[N@@H+](CCNC(=O)[C@@H]1CCCc2nn[nH]c21)CC(N)=O ZINC001418491184 890227096 /nfs/dbraw/zinc/22/70/96/890227096.db2.gz WKJCZAVJKOAQCK-MRVPVSSYSA-N 1 2 280.332 -1.242 20 0 CAADLO C[C@@H](CC(N)=O)C(=O)NCC[N@H+](C)Cc1nc(=O)n(C)[nH]1 ZINC001418485617 890228722 /nfs/dbraw/zinc/22/87/22/890228722.db2.gz BOUWHMDDZCKFND-QMMMGPOBSA-N 1 2 298.347 -1.832 20 0 CAADLO C[C@@H](CC(N)=O)C(=O)NCC[N@@H+](C)Cc1nc(=O)n(C)[nH]1 ZINC001418485617 890228739 /nfs/dbraw/zinc/22/87/39/890228739.db2.gz BOUWHMDDZCKFND-QMMMGPOBSA-N 1 2 298.347 -1.832 20 0 CAADLO CNC(=O)[C@H](C)[N@H+](C)CCNC(=O)CCc1cn[nH]n1 ZINC001418495259 890229380 /nfs/dbraw/zinc/22/93/80/890229380.db2.gz LAOBZCXEVCZHEG-VIFPVBQESA-N 1 2 282.348 -1.080 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)CCc1cn[nH]n1 ZINC001418495259 890229393 /nfs/dbraw/zinc/22/93/93/890229393.db2.gz LAOBZCXEVCZHEG-VIFPVBQESA-N 1 2 282.348 -1.080 20 0 CAADLO CNC(=O)[C@H](C)[N@H+](C)CCNC(=O)CCc1c[nH]nn1 ZINC001418495259 890229410 /nfs/dbraw/zinc/22/94/10/890229410.db2.gz LAOBZCXEVCZHEG-VIFPVBQESA-N 1 2 282.348 -1.080 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)CCc1c[nH]nn1 ZINC001418495259 890229421 /nfs/dbraw/zinc/22/94/21/890229421.db2.gz LAOBZCXEVCZHEG-VIFPVBQESA-N 1 2 282.348 -1.080 20 0 CAADLO C[N@H+](CCNC(=O)CN1CCOCC1=O)CC(N)=O ZINC001418467551 890230200 /nfs/dbraw/zinc/23/02/00/890230200.db2.gz DHGCLMUMNNLOCI-UHFFFAOYSA-N 1 2 272.305 -2.622 20 0 CAADLO C[N@@H+](CCNC(=O)CN1CCOCC1=O)CC(N)=O ZINC001418467551 890230216 /nfs/dbraw/zinc/23/02/16/890230216.db2.gz DHGCLMUMNNLOCI-UHFFFAOYSA-N 1 2 272.305 -2.622 20 0 CAADLO C[N@H+](CCNC(=O)Cn1cncn1)CC(=O)N1CCCC1 ZINC001418518646 890231976 /nfs/dbraw/zinc/23/19/76/890231976.db2.gz GNZBLVZZKKCZGX-UHFFFAOYSA-N 1 2 294.359 -1.052 20 0 CAADLO C[N@@H+](CCNC(=O)Cn1cncn1)CC(=O)N1CCCC1 ZINC001418518646 890231991 /nfs/dbraw/zinc/23/19/91/890231991.db2.gz GNZBLVZZKKCZGX-UHFFFAOYSA-N 1 2 294.359 -1.052 20 0 CAADLO C[N@H+](CCNC(=O)[C@@H]1CCC(=O)N1)CC(=O)NCC1CC1 ZINC001418512413 890233025 /nfs/dbraw/zinc/23/30/25/890233025.db2.gz BWQSOFJCSZCIGQ-NSHDSACASA-N 1 2 296.371 -1.161 20 0 CAADLO C[N@@H+](CCNC(=O)[C@@H]1CCC(=O)N1)CC(=O)NCC1CC1 ZINC001418512413 890233037 /nfs/dbraw/zinc/23/30/37/890233037.db2.gz BWQSOFJCSZCIGQ-NSHDSACASA-N 1 2 296.371 -1.161 20 0 CAADLO C[N@H+](CCNC(=O)[C@@H]1CCC(=O)N1)CC(=O)NC1CC1 ZINC001418514220 890235171 /nfs/dbraw/zinc/23/51/71/890235171.db2.gz QNTSAOGQLWNYLL-JTQLQIEISA-N 1 2 282.344 -1.408 20 0 CAADLO C[N@@H+](CCNC(=O)[C@@H]1CCC(=O)N1)CC(=O)NC1CC1 ZINC001418514220 890235187 /nfs/dbraw/zinc/23/51/87/890235187.db2.gz QNTSAOGQLWNYLL-JTQLQIEISA-N 1 2 282.344 -1.408 20 0 CAADLO Cn1[nH]c(C[N@H+](C)CCNC(=O)c2n[nH]cc2F)nc1=O ZINC001418497221 890235288 /nfs/dbraw/zinc/23/52/88/890235288.db2.gz PHEVXDSVZIWESB-UHFFFAOYSA-N 1 2 297.294 -1.168 20 0 CAADLO Cn1[nH]c(C[N@@H+](C)CCNC(=O)c2n[nH]cc2F)nc1=O ZINC001418497221 890235293 /nfs/dbraw/zinc/23/52/93/890235293.db2.gz PHEVXDSVZIWESB-UHFFFAOYSA-N 1 2 297.294 -1.168 20 0 CAADLO C[N@H+](CCNC(=O)Cc1ccc(C(N)=O)cc1)CC(N)=O ZINC001418529343 890239734 /nfs/dbraw/zinc/23/97/34/890239734.db2.gz LDMRSVHOSYMIEN-UHFFFAOYSA-N 1 2 292.339 -1.139 20 0 CAADLO C[N@@H+](CCNC(=O)Cc1ccc(C(N)=O)cc1)CC(N)=O ZINC001418529343 890239752 /nfs/dbraw/zinc/23/97/52/890239752.db2.gz LDMRSVHOSYMIEN-UHFFFAOYSA-N 1 2 292.339 -1.139 20 0 CAADLO C[C@H](C(=O)N1C[C@H](C(N)=O)[C@@H](C(N)=O)C1)n1cc[nH+]c1 ZINC001418592136 890245112 /nfs/dbraw/zinc/24/51/12/890245112.db2.gz QGDKCZVKZGNXTM-VGMNWLOBSA-N 1 2 279.300 -1.511 20 0 CAADLO COCC(=O)NC[C@@H]1CCC[N@@H+]1Cc1nc(=O)n(C)[nH]1 ZINC001418592388 890245564 /nfs/dbraw/zinc/24/55/64/890245564.db2.gz SUZOQBVOMQVRLV-VIFPVBQESA-N 1 2 283.332 -1.165 20 0 CAADLO COCC(=O)NC[C@@H]1CCC[N@H+]1Cc1nc(=O)n(C)[nH]1 ZINC001418592388 890245579 /nfs/dbraw/zinc/24/55/79/890245579.db2.gz SUZOQBVOMQVRLV-VIFPVBQESA-N 1 2 283.332 -1.165 20 0 CAADLO CCNC(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCC(=O)N1 ZINC001418617298 890247733 /nfs/dbraw/zinc/24/77/33/890247733.db2.gz PGZQGNQIYCSNII-MNOVXSKESA-N 1 2 296.371 -1.066 20 0 CAADLO CCNC(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCC(=O)N1 ZINC001418617298 890247747 /nfs/dbraw/zinc/24/77/47/890247747.db2.gz PGZQGNQIYCSNII-MNOVXSKESA-N 1 2 296.371 -1.066 20 0 CAADLO Cn1cc([C@@H]2CN(C(=O)Cn3cnc(N)n3)CC[NH2+]2)cn1 ZINC001418837877 890266425 /nfs/dbraw/zinc/26/64/25/890266425.db2.gz GSQLHLZVZVDBIA-JTQLQIEISA-N 1 2 290.331 -1.233 20 0 CAADLO CCCN(C(=O)[C@@H]1CNC(=O)N1)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001418871996 890269595 /nfs/dbraw/zinc/26/95/95/890269595.db2.gz CJIGEFVGJWFBGD-UWVGGRQHSA-N 1 2 297.359 -1.534 20 0 CAADLO CCCN(C(=O)[C@@H]1CNC(=O)N1)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001418871996 890269610 /nfs/dbraw/zinc/26/96/10/890269610.db2.gz CJIGEFVGJWFBGD-UWVGGRQHSA-N 1 2 297.359 -1.534 20 0 CAADLO CCCN(C(=O)[C@@H]1CNC(=O)N1)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001418872003 890270891 /nfs/dbraw/zinc/27/08/91/890270891.db2.gz CJIGEFVGJWFBGD-ZJUUUORDSA-N 1 2 297.359 -1.534 20 0 CAADLO CCCN(C(=O)[C@@H]1CNC(=O)N1)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001418872003 890270902 /nfs/dbraw/zinc/27/09/02/890270902.db2.gz CJIGEFVGJWFBGD-ZJUUUORDSA-N 1 2 297.359 -1.534 20 0 CAADLO CCC(=O)N(C)CC[NH+]1CCN(CC(=O)NC(N)=O)CC1 ZINC001418905008 890271798 /nfs/dbraw/zinc/27/17/98/890271798.db2.gz GLXCBLGTWSNYIO-UHFFFAOYSA-N 1 2 299.375 -1.333 20 0 CAADLO CCCN(C(=O)[C@H]1C[C@H]1C(N)=O)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001418874044 890272101 /nfs/dbraw/zinc/27/21/01/890272101.db2.gz KMTWLGJJERRFFS-AXFHLTTASA-N 1 2 296.371 -1.094 20 0 CAADLO CCCN(C(=O)[C@H]1C[C@H]1C(N)=O)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001418874044 890272115 /nfs/dbraw/zinc/27/21/15/890272115.db2.gz KMTWLGJJERRFFS-AXFHLTTASA-N 1 2 296.371 -1.094 20 0 CAADLO CC(=O)NCC(=O)NC1C[NH+](CCc2cnn(C)c2)C1 ZINC001418965101 890276730 /nfs/dbraw/zinc/27/67/30/890276730.db2.gz WKACYOXIVUVDIW-UHFFFAOYSA-N 1 2 279.344 -1.101 20 0 CAADLO COCC(=O)N(C)CC(=O)NC1C[NH+]([C@H](C)COC)C1 ZINC001418973350 890277992 /nfs/dbraw/zinc/27/79/92/890277992.db2.gz GWZMIOJQVSABND-SNVBAGLBSA-N 1 2 287.360 -1.074 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(NC(=O)[C@H](C)n2cncn2)C1 ZINC001418967342 890280308 /nfs/dbraw/zinc/28/03/08/890280308.db2.gz XITFXKHDEOJMMO-ONGXEEELSA-N 1 2 283.332 -1.353 20 0 CAADLO CCS(=O)(=O)NCC(=O)NC1C[NH+](C[C@@H](C)O)C1 ZINC001418973365 890280376 /nfs/dbraw/zinc/28/03/76/890280376.db2.gz GXLHOGUMZLYYQW-MRVPVSSYSA-N 1 2 279.362 -1.893 20 0 CAADLO COC[C@H](O)C[NH+]1CC(NC(=O)Cc2ccn(C)n2)C1 ZINC001418970433 890280534 /nfs/dbraw/zinc/28/05/34/890280534.db2.gz AXXDNMCKNBXREN-GFCCVEGCSA-N 1 2 282.344 -1.230 20 0 CAADLO CN(C)S(=O)(=O)NCC(=O)NC1C[NH+](CCO)C1 ZINC001418988232 890281224 /nfs/dbraw/zinc/28/12/24/890281224.db2.gz GXGLMLKGZZRZRH-UHFFFAOYSA-N 1 2 280.350 -2.825 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(NC(=O)c2ncc(OC)cn2)C1 ZINC001418980765 890281944 /nfs/dbraw/zinc/28/19/44/890281944.db2.gz XKHVYKPBIWIFOV-JTQLQIEISA-N 1 2 296.327 -1.094 20 0 CAADLO CNS(=O)(=O)NCC(=O)NC1C[NH+](C[C@@H](C)O)C1 ZINC001418986597 890282417 /nfs/dbraw/zinc/28/24/17/890282417.db2.gz ADYWBBPGEXFTKO-SSDOTTSWSA-N 1 2 280.350 -2.779 20 0 CAADLO COC[C@H](O)C[NH+]1CC(NC(=O)c2ncc(OC)cn2)C1 ZINC001418980767 890282668 /nfs/dbraw/zinc/28/26/68/890282668.db2.gz XKHVYKPBIWIFOV-SNVBAGLBSA-N 1 2 296.327 -1.094 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(NC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001418984499 890282843 /nfs/dbraw/zinc/28/28/43/890282843.db2.gz IHSUGGNPFOAFPW-AEJSXWLSSA-N 1 2 271.317 -2.085 20 0 CAADLO CCC(=O)NCC(=O)NCC1C[NH+]([C@H](C)C(N)=O)C1 ZINC001419009954 890285229 /nfs/dbraw/zinc/28/52/29/890285229.db2.gz ICYITOVJRDKCAC-MRVPVSSYSA-N 1 2 270.333 -1.566 20 0 CAADLO CNC(=O)CN1CC(NC(=O)CCc2c[nH+]cn2C)C1 ZINC001419006741 890285944 /nfs/dbraw/zinc/28/59/44/890285944.db2.gz IPDUBSPZGFEERD-UHFFFAOYSA-N 1 2 279.344 -1.101 20 0 CAADLO CCO[C@@H]1C[C@H]1C(=O)NCC1C[NH+](CC(=O)NC(N)=O)C1 ZINC001419011099 890286334 /nfs/dbraw/zinc/28/63/34/890286334.db2.gz XZVIXQZVAGNPNW-NXEZZACHSA-N 1 2 298.343 -1.346 20 0 CAADLO CCC(=O)NCC(=O)NCC1C[NH+](CC(=O)N2CCC2)C1 ZINC001419009938 890286466 /nfs/dbraw/zinc/28/64/66/890286466.db2.gz HWUBVLKXCKJRQF-UHFFFAOYSA-N 1 2 296.371 -1.207 20 0 CAADLO O=C(N[C@H](CO)Cc1c[nH]c[nH+]1)[C@@H]1CSCC(=O)N1 ZINC001418997402 890286675 /nfs/dbraw/zinc/28/66/75/890286675.db2.gz LJOCEDUHIXMIEU-IUCAKERBSA-N 1 2 284.341 -1.339 20 0 CAADLO O=C(N[C@H](CO)Cc1c[nH+]c[nH]1)[C@@H]1CSCC(=O)N1 ZINC001418997402 890286690 /nfs/dbraw/zinc/28/66/90/890286690.db2.gz LJOCEDUHIXMIEU-IUCAKERBSA-N 1 2 284.341 -1.339 20 0 CAADLO CCC(=O)NCC(=O)NCC1C[NH+]([C@@H](C)C(N)=O)C1 ZINC001419009955 890286936 /nfs/dbraw/zinc/28/69/36/890286936.db2.gz ICYITOVJRDKCAC-QMMMGPOBSA-N 1 2 270.333 -1.566 20 0 CAADLO NC(=O)NC(=O)C[NH+]1CC(CNC(=O)[C@@H]2CCCOC2)C1 ZINC001419011786 890287215 /nfs/dbraw/zinc/28/72/15/890287215.db2.gz CGXMBXZROYUBLI-SNVBAGLBSA-N 1 2 298.343 -1.344 20 0 CAADLO Cn1cnnc1COCC(=O)NC1C[NH+](CCCO)C1 ZINC001418999053 890287252 /nfs/dbraw/zinc/28/72/52/890287252.db2.gz RGIYRMBKFULOBA-UHFFFAOYSA-N 1 2 283.332 -1.486 20 0 CAADLO NC(=O)NC(=O)C[NH+]1CC(CNC(=O)[C@H]2CCCOC2)C1 ZINC001419011783 890287412 /nfs/dbraw/zinc/28/74/12/890287412.db2.gz CGXMBXZROYUBLI-JTQLQIEISA-N 1 2 298.343 -1.344 20 0 CAADLO COCC(=O)N(C)CC(=O)N[C@H](CO)Cc1c[nH]c[nH+]1 ZINC001418997095 890287483 /nfs/dbraw/zinc/28/74/83/890287483.db2.gz FMXPPXSKQCGFNJ-JTQLQIEISA-N 1 2 284.316 -1.466 20 0 CAADLO COCC(=O)N(C)CC(=O)N[C@H](CO)Cc1c[nH+]c[nH]1 ZINC001418997095 890287501 /nfs/dbraw/zinc/28/75/01/890287501.db2.gz FMXPPXSKQCGFNJ-JTQLQIEISA-N 1 2 284.316 -1.466 20 0 CAADLO CC(=O)NC(C)(C)C(=O)NCC1C[NH+]([C@H](C)C(N)=O)C1 ZINC001419036168 890288558 /nfs/dbraw/zinc/28/85/58/890288558.db2.gz JDWCBEFOVAMDIK-MRVPVSSYSA-N 1 2 284.360 -1.177 20 0 CAADLO C[C@@]1(C(=O)NCC2C[NH+](CC(=O)NC(N)=O)C2)CCOC1 ZINC001419034893 890289343 /nfs/dbraw/zinc/28/93/43/890289343.db2.gz HMGSMSVKYUCTIH-CYBMUJFWSA-N 1 2 298.343 -1.344 20 0 CAADLO CCNC(=O)C[NH+]1CC(CNC(=O)C[C@H](C)NC(N)=O)C1 ZINC001419023093 890289208 /nfs/dbraw/zinc/28/92/08/890289208.db2.gz SPEBAAIEXRRQQW-VIFPVBQESA-N 1 2 299.375 -1.383 20 0 CAADLO Cc1nnc(CC(=O)NCC2C[NH+]([C@H]3CCNC3=O)C2)[nH]1 ZINC001419021866 890289562 /nfs/dbraw/zinc/28/95/62/890289562.db2.gz NIHPXIRIFAIGSL-JTQLQIEISA-N 1 2 292.343 -1.408 20 0 CAADLO Cn1cncc1C[NH+]1CC(CNC(=O)Cn2cnnn2)C1 ZINC001419014073 890290040 /nfs/dbraw/zinc/29/00/40/890290040.db2.gz PUQAXBRDFMDOJU-UHFFFAOYSA-N 1 2 290.331 -1.345 20 0 CAADLO COC[C@H](OC)C(=O)NCC1C[NH+](CC(=O)N(C)C)C1 ZINC001419031250 890290146 /nfs/dbraw/zinc/29/01/46/890290146.db2.gz KLDBUQQHPBWKOA-NSHDSACASA-N 1 2 287.360 -1.216 20 0 CAADLO CNC(=O)C[NH+]1CC(CNC(=O)CCc2cnn(C)n2)C1 ZINC001419034732 890290333 /nfs/dbraw/zinc/29/03/33/890290333.db2.gz DGFFSCWPTABQMA-UHFFFAOYSA-N 1 2 294.359 -1.458 20 0 CAADLO CNC(=O)C[NH+]1CC(CNC(=O)C[C@@H]2CCCC(=O)N2)C1 ZINC001419021477 890290529 /nfs/dbraw/zinc/29/05/29/890290529.db2.gz GMFVFSWZIRYQTB-NSHDSACASA-N 1 2 296.371 -1.161 20 0 CAADLO CO[C@@H](C(=O)NCC1C[NH+](CC(=O)NC(N)=O)C1)C1CC1 ZINC001419018812 890290674 /nfs/dbraw/zinc/29/06/74/890290674.db2.gz ZRSGWKVSRXKPJR-LLVKDONJSA-N 1 2 298.343 -1.346 20 0 CAADLO CC(C)(O)CC(=O)NCC1C[NH+](CC(=O)NC(N)=O)C1 ZINC001419018185 890291786 /nfs/dbraw/zinc/29/17/86/890291786.db2.gz XGLZMYTULXWVIE-UHFFFAOYSA-N 1 2 286.332 -1.610 20 0 CAADLO CNC(=O)C[NH+]1CC(CNC(=O)C[C@H]2COC(=O)C2)C1 ZINC001419016766 890292146 /nfs/dbraw/zinc/29/21/46/890292146.db2.gz QROQXWINQVGNOY-SECBINFHSA-N 1 2 283.328 -1.266 20 0 CAADLO CCN(C)C(=O)C[NH+]1CC(CNC(=O)c2cnnn2C)C1 ZINC001419015462 890292352 /nfs/dbraw/zinc/29/23/52/890292352.db2.gz DQLUJFFCNDVABC-UHFFFAOYSA-N 1 2 294.359 -1.045 20 0 CAADLO CNC(=O)C[NH+]1CC(CNC(=O)CNC(=O)C(C)(C)C)C1 ZINC001419046995 890293630 /nfs/dbraw/zinc/29/36/30/890293630.db2.gz ZINDOFJERJCEPL-UHFFFAOYSA-N 1 2 298.387 -1.057 20 0 CAADLO CC(=O)NCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC(=O)N(C)C ZINC001419047988 890293666 /nfs/dbraw/zinc/29/36/66/890293666.db2.gz YELYFXNOEWDZFA-QWRGUYRKSA-N 1 2 282.344 -1.504 20 0 CAADLO CC(=O)NCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC(=O)N(C)C ZINC001419047988 890293679 /nfs/dbraw/zinc/29/36/79/890293679.db2.gz YELYFXNOEWDZFA-QWRGUYRKSA-N 1 2 282.344 -1.504 20 0 CAADLO CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H](C)CC(N)=O)C1 ZINC001419064016 890293972 /nfs/dbraw/zinc/29/39/72/890293972.db2.gz XRRZABDOSJRUGR-UWVGGRQHSA-N 1 2 284.360 -1.176 20 0 CAADLO CC[C@H](NC(C)=O)C(=O)NCC1C[NH+]([C@@H]2CCNC2=O)C1 ZINC001419039606 890294575 /nfs/dbraw/zinc/29/45/75/890294575.db2.gz RYEHQYUAEJOJDK-NWDGAFQWSA-N 1 2 296.371 -1.162 20 0 CAADLO CC(=O)N[C@@H](C)C(=O)N[C@H]1CC[N@H+](CC(=O)NC2CC2)C1 ZINC001419056261 890294692 /nfs/dbraw/zinc/29/46/92/890294692.db2.gz LCHJPNTUTPOAGA-CABZTGNLSA-N 1 2 296.371 -1.020 20 0 CAADLO CC(=O)N[C@@H](C)C(=O)N[C@H]1CC[N@@H+](CC(=O)NC2CC2)C1 ZINC001419056261 890294708 /nfs/dbraw/zinc/29/47/08/890294708.db2.gz LCHJPNTUTPOAGA-CABZTGNLSA-N 1 2 296.371 -1.020 20 0 CAADLO CC(C)NC(=O)C[N@@H+]1CC[C@H](NC(=O)c2nnn(C)n2)C1 ZINC001419062941 890296066 /nfs/dbraw/zinc/29/60/66/890296066.db2.gz GQWZPYSNFABZSG-VIFPVBQESA-N 1 2 295.347 -1.461 20 0 CAADLO CC(C)NC(=O)C[N@H+]1CC[C@H](NC(=O)c2nnn(C)n2)C1 ZINC001419062941 890296078 /nfs/dbraw/zinc/29/60/78/890296078.db2.gz GQWZPYSNFABZSG-VIFPVBQESA-N 1 2 295.347 -1.461 20 0 CAADLO CCCC[C@H](NC(N)=O)C(=O)NCC1C[NH+](CC(N)=O)C1 ZINC001419049079 890296333 /nfs/dbraw/zinc/29/63/33/890296333.db2.gz UPFBEVLXDWSIJY-JTQLQIEISA-N 1 2 299.375 -1.253 20 0 CAADLO NC(=O)CCCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@H]1CCNC1=O ZINC001419053313 890296841 /nfs/dbraw/zinc/29/68/41/890296841.db2.gz AXXVEFGZYLKGRI-DCAQKATOSA-N 1 2 294.355 -1.184 20 0 CAADLO NC(=O)CCCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2[C@H]1CCNC1=O ZINC001419053313 890296859 /nfs/dbraw/zinc/29/68/59/890296859.db2.gz AXXVEFGZYLKGRI-DCAQKATOSA-N 1 2 294.355 -1.184 20 0 CAADLO COCC(=O)NCC[NH+]1CCN(Cc2nnc(C)[nH]2)CC1 ZINC001419107165 890297622 /nfs/dbraw/zinc/29/76/22/890297622.db2.gz XRKZJDYMKWZZNK-UHFFFAOYSA-N 1 2 296.375 -1.007 20 0 CAADLO CCOCC(=O)N[C@@H]1CC[N@H+](CCNS(C)(=O)=O)C1 ZINC001419072655 890297791 /nfs/dbraw/zinc/29/77/91/890297791.db2.gz JWFPSFPAVKQWDG-SNVBAGLBSA-N 1 2 293.389 -1.237 20 0 CAADLO CCOCC(=O)N[C@@H]1CC[N@@H+](CCNS(C)(=O)=O)C1 ZINC001419072655 890297808 /nfs/dbraw/zinc/29/78/08/890297808.db2.gz JWFPSFPAVKQWDG-SNVBAGLBSA-N 1 2 293.389 -1.237 20 0 CAADLO CNC(=O)NCC(=O)N[C@H]1CCC[N@H+](CC(N)=O)C1 ZINC001419094637 890299429 /nfs/dbraw/zinc/29/94/29/890299429.db2.gz BEPJMJBUHHWGCQ-QMMMGPOBSA-N 1 2 271.321 -2.019 20 0 CAADLO CNC(=O)NCC(=O)N[C@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001419094637 890299442 /nfs/dbraw/zinc/29/94/42/890299442.db2.gz BEPJMJBUHHWGCQ-QMMMGPOBSA-N 1 2 271.321 -2.019 20 0 CAADLO C[C@H](NC(N)=O)C(=O)N[C@@H]1CC[N@H+](Cc2cnnn2C)C1 ZINC001419077769 890299694 /nfs/dbraw/zinc/29/96/94/890299694.db2.gz HZCGEQLHMSVAQT-DTWKUNHWSA-N 1 2 295.347 -1.438 20 0 CAADLO C[C@H](NC(N)=O)C(=O)N[C@@H]1CC[N@@H+](Cc2cnnn2C)C1 ZINC001419077769 890299705 /nfs/dbraw/zinc/29/97/05/890299705.db2.gz HZCGEQLHMSVAQT-DTWKUNHWSA-N 1 2 295.347 -1.438 20 0 CAADLO COCC(=O)N[C@@H]1CCC[N@H+](CC(=O)NC(N)=O)C1 ZINC001419089644 890301211 /nfs/dbraw/zinc/30/12/11/890301211.db2.gz NWPCGNKVHLBPOE-MRVPVSSYSA-N 1 2 272.305 -1.592 20 0 CAADLO COCC(=O)N[C@@H]1CCC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001419089644 890301220 /nfs/dbraw/zinc/30/12/20/890301220.db2.gz NWPCGNKVHLBPOE-MRVPVSSYSA-N 1 2 272.305 -1.592 20 0 CAADLO CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CC(=O)N(C)C2)C1 ZINC001419082638 890301850 /nfs/dbraw/zinc/30/18/50/890301850.db2.gz YQRTXYBLTBPSIF-GHMZBOCLSA-N 1 2 296.371 -1.209 20 0 CAADLO CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CC(=O)N(C)C2)C1 ZINC001419082638 890301869 /nfs/dbraw/zinc/30/18/69/890301869.db2.gz YQRTXYBLTBPSIF-GHMZBOCLSA-N 1 2 296.371 -1.209 20 0 CAADLO CCN(C(=O)Cn1cncn1)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001419152545 890302765 /nfs/dbraw/zinc/30/27/65/890302765.db2.gz WTWPPJLNGMDPAL-SNVBAGLBSA-N 1 2 280.332 -1.314 20 0 CAADLO CCN(C(=O)Cn1cncn1)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001419152545 890302781 /nfs/dbraw/zinc/30/27/81/890302781.db2.gz WTWPPJLNGMDPAL-SNVBAGLBSA-N 1 2 280.332 -1.314 20 0 CAADLO COC(=O)NCC(=O)N[C@H]1CC[N@H+](Cc2cnnn2C)C1 ZINC001419143316 890303098 /nfs/dbraw/zinc/30/30/98/890303098.db2.gz PMBLBYJDBGFPBU-VIFPVBQESA-N 1 2 296.331 -1.138 20 0 CAADLO COC(=O)NCC(=O)N[C@H]1CC[N@@H+](Cc2cnnn2C)C1 ZINC001419143316 890303115 /nfs/dbraw/zinc/30/31/15/890303115.db2.gz PMBLBYJDBGFPBU-VIFPVBQESA-N 1 2 296.331 -1.138 20 0 CAADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H](COC)OC ZINC001419139617 890305011 /nfs/dbraw/zinc/30/50/11/890305011.db2.gz WJNYMNHOESDOHO-UWVGGRQHSA-N 1 2 284.316 -1.156 20 0 CAADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H](COC)OC ZINC001419139617 890305026 /nfs/dbraw/zinc/30/50/26/890305026.db2.gz WJNYMNHOESDOHO-UWVGGRQHSA-N 1 2 284.316 -1.156 20 0 CAADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1ccc(=O)[nH]n1 ZINC001419140162 890305334 /nfs/dbraw/zinc/30/53/34/890305334.db2.gz ZKCQJMPNGDOJSU-VIFPVBQESA-N 1 2 290.283 -1.008 20 0 CAADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1ccc(=O)[nH]n1 ZINC001419140162 890305353 /nfs/dbraw/zinc/30/53/53/890305353.db2.gz ZKCQJMPNGDOJSU-VIFPVBQESA-N 1 2 290.283 -1.008 20 0 CAADLO CCCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CNC(C)=O)C1 ZINC001419145339 890306430 /nfs/dbraw/zinc/30/64/30/890306430.db2.gz XWXVDWJXBGMBPQ-LLVKDONJSA-N 1 2 284.360 -1.161 20 0 CAADLO CCCNC(=O)C[N@H+]1CC[C@@H](NC(=O)CNC(C)=O)C1 ZINC001419145339 890306449 /nfs/dbraw/zinc/30/64/49/890306449.db2.gz XWXVDWJXBGMBPQ-LLVKDONJSA-N 1 2 284.360 -1.161 20 0 CAADLO O=C(Cn1ncnn1)NCC[NH+]1CCN(CCF)CC1 ZINC001419113587 890306970 /nfs/dbraw/zinc/30/69/70/890306970.db2.gz JFOLMORLIZLYRA-UHFFFAOYSA-N 1 2 285.327 -1.624 20 0 CAADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C[C@@H]1CCC(=O)N1 ZINC001419138552 890307403 /nfs/dbraw/zinc/30/74/03/890307403.db2.gz QMIKRGOGLWGAPL-WPRPVWTQSA-N 1 2 293.327 -1.148 20 0 CAADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C[C@@H]1CCC(=O)N1 ZINC001419138552 890307424 /nfs/dbraw/zinc/30/74/24/890307424.db2.gz QMIKRGOGLWGAPL-WPRPVWTQSA-N 1 2 293.327 -1.148 20 0 CAADLO COCC(=O)N[C@@H]1CC[N@H+](CCNS(C)(=O)=O)C1 ZINC001419142531 890307925 /nfs/dbraw/zinc/30/79/25/890307925.db2.gz GTTBONADROIVDA-SECBINFHSA-N 1 2 279.362 -1.628 20 0 CAADLO COCC(=O)N[C@@H]1CC[N@@H+](CCNS(C)(=O)=O)C1 ZINC001419142531 890307944 /nfs/dbraw/zinc/30/79/44/890307944.db2.gz GTTBONADROIVDA-SECBINFHSA-N 1 2 279.362 -1.628 20 0 CAADLO O=C(CCc1cn[nH]n1)N[C@@H]1CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001419174579 890308440 /nfs/dbraw/zinc/30/84/40/890308440.db2.gz VXTPIZKNVHSWFX-MNOVXSKESA-N 1 2 292.343 -1.184 20 0 CAADLO O=C(CCc1cn[nH]n1)N[C@@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001419174579 890308448 /nfs/dbraw/zinc/30/84/48/890308448.db2.gz VXTPIZKNVHSWFX-MNOVXSKESA-N 1 2 292.343 -1.184 20 0 CAADLO O=C(CCc1c[nH]nn1)N[C@@H]1CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001419174579 890308458 /nfs/dbraw/zinc/30/84/58/890308458.db2.gz VXTPIZKNVHSWFX-MNOVXSKESA-N 1 2 292.343 -1.184 20 0 CAADLO O=C(CCc1c[nH]nn1)N[C@@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001419174579 890308470 /nfs/dbraw/zinc/30/84/70/890308470.db2.gz VXTPIZKNVHSWFX-MNOVXSKESA-N 1 2 292.343 -1.184 20 0 CAADLO CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@]2(C)CCC(=O)N2)C1 ZINC001419171265 890308548 /nfs/dbraw/zinc/30/85/48/890308548.db2.gz BMIQAOJBJRGNLD-YGRLFVJLSA-N 1 2 296.371 -1.018 20 0 CAADLO CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@]2(C)CCC(=O)N2)C1 ZINC001419171265 890308561 /nfs/dbraw/zinc/30/85/61/890308561.db2.gz BMIQAOJBJRGNLD-YGRLFVJLSA-N 1 2 296.371 -1.018 20 0 CAADLO NC(=O)NC(=O)C[N@@H+]1CC[C@H](NC(=O)c2ccncn2)C1 ZINC001419182927 890309596 /nfs/dbraw/zinc/30/95/96/890309596.db2.gz WPAHZLJODFGGMG-QMMMGPOBSA-N 1 2 292.299 -1.524 20 0 CAADLO NC(=O)NC(=O)C[N@H+]1CC[C@H](NC(=O)c2ccncn2)C1 ZINC001419182927 890309607 /nfs/dbraw/zinc/30/96/07/890309607.db2.gz WPAHZLJODFGGMG-QMMMGPOBSA-N 1 2 292.299 -1.524 20 0 CAADLO C[C@@H](CC(=O)N[C@H]1CC[N@H+](CC(N)=O)C1)NC(N)=O ZINC001419159537 890310911 /nfs/dbraw/zinc/31/09/11/890310911.db2.gz IDHXRTJSFSHHIK-YUMQZZPRSA-N 1 2 271.321 -1.891 20 0 CAADLO C[C@@H](CC(=O)N[C@H]1CC[N@@H+](CC(N)=O)C1)NC(N)=O ZINC001419159537 890310927 /nfs/dbraw/zinc/31/09/27/890310927.db2.gz IDHXRTJSFSHHIK-YUMQZZPRSA-N 1 2 271.321 -1.891 20 0 CAADLO C[C@H](CC(=O)N[C@H]1CC[N@H+](CC(N)=O)C1)NC(N)=O ZINC001419159534 890311849 /nfs/dbraw/zinc/31/18/49/890311849.db2.gz IDHXRTJSFSHHIK-SFYZADRCSA-N 1 2 271.321 -1.891 20 0 CAADLO C[C@H](CC(=O)N[C@H]1CC[N@@H+](CC(N)=O)C1)NC(N)=O ZINC001419159534 890311859 /nfs/dbraw/zinc/31/18/59/890311859.db2.gz IDHXRTJSFSHHIK-SFYZADRCSA-N 1 2 271.321 -1.891 20 0 CAADLO Cc1c[nH]nc1C(=O)N[C@@H]1CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001419165409 890313081 /nfs/dbraw/zinc/31/30/81/890313081.db2.gz UDZGFKPWVNAQCB-MRVPVSSYSA-N 1 2 294.315 -1.283 20 0 CAADLO Cc1c[nH]nc1C(=O)N[C@@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001419165409 890313092 /nfs/dbraw/zinc/31/30/92/890313092.db2.gz UDZGFKPWVNAQCB-MRVPVSSYSA-N 1 2 294.315 -1.283 20 0 CAADLO CNC(=O)CN(CC(=O)NC)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001419288158 890313931 /nfs/dbraw/zinc/31/39/31/890313931.db2.gz JBRAFOWAZMGTFB-RKDXNWHRSA-N 1 2 293.327 -1.166 20 0 CAADLO CNC(=O)CN(CC(=O)NC)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001419288158 890313953 /nfs/dbraw/zinc/31/39/53/890313953.db2.gz JBRAFOWAZMGTFB-RKDXNWHRSA-N 1 2 293.327 -1.166 20 0 CAADLO CCCC[C@@H](NC(N)=O)C(=O)N[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001419212418 890314232 /nfs/dbraw/zinc/31/42/32/890314232.db2.gz KDFBRHIZTLZIJE-NXEZZACHSA-N 1 2 299.375 -1.111 20 0 CAADLO CCCC[C@@H](NC(N)=O)C(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001419212418 890314247 /nfs/dbraw/zinc/31/42/47/890314247.db2.gz KDFBRHIZTLZIJE-NXEZZACHSA-N 1 2 299.375 -1.111 20 0 CAADLO C[C@H](CS(C)(=O)=O)C(=O)N[C@@H]1CC[N@H+](CCO)C1 ZINC001419219598 890314279 /nfs/dbraw/zinc/31/42/79/890314279.db2.gz XWWYVYVMSCZBOE-NXEZZACHSA-N 1 2 278.374 -1.150 20 0 CAADLO C[C@H](CS(C)(=O)=O)C(=O)N[C@@H]1CC[N@@H+](CCO)C1 ZINC001419219598 890314294 /nfs/dbraw/zinc/31/42/94/890314294.db2.gz XWWYVYVMSCZBOE-NXEZZACHSA-N 1 2 278.374 -1.150 20 0 CAADLO CCCC[C@H](NC(N)=O)C(=O)N[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001419212422 890315650 /nfs/dbraw/zinc/31/56/50/890315650.db2.gz KDFBRHIZTLZIJE-ZJUUUORDSA-N 1 2 299.375 -1.111 20 0 CAADLO CCCC[C@H](NC(N)=O)C(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001419212422 890315671 /nfs/dbraw/zinc/31/56/71/890315671.db2.gz KDFBRHIZTLZIJE-ZJUUUORDSA-N 1 2 299.375 -1.111 20 0 CAADLO CC(=O)NCC(=O)N1CC[C@H]([NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001419354164 890322289 /nfs/dbraw/zinc/32/22/89/890322289.db2.gz VPAJTVKPVSUEGG-VIFPVBQESA-N 1 2 296.331 -2.065 20 0 CAADLO CCC(=O)NCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2nnn(C)n2)C1 ZINC001419462558 890326722 /nfs/dbraw/zinc/32/67/22/890326722.db2.gz QAPFDWVUDYTGIK-DTORHVGOSA-N 1 2 295.347 -1.527 20 0 CAADLO COCC(=O)NC[C@@H]1C[N@H+](C[C@H](O)COC)CCO1 ZINC001419547863 890330747 /nfs/dbraw/zinc/33/07/47/890330747.db2.gz OFGWWIVLGUOZNQ-WDEREUQCSA-N 1 2 276.333 -1.543 20 0 CAADLO COCC(=O)NC[C@@H]1C[N@@H+](C[C@H](O)COC)CCO1 ZINC001419547863 890330761 /nfs/dbraw/zinc/33/07/61/890330761.db2.gz OFGWWIVLGUOZNQ-WDEREUQCSA-N 1 2 276.333 -1.543 20 0 CAADLO O=C(Cn1cnnn1)NC[C@H]1C[N@H+](CCO)CCO1 ZINC001419572802 890333624 /nfs/dbraw/zinc/33/36/24/890333624.db2.gz PEDNXUOHDKFVDN-VIFPVBQESA-N 1 2 270.293 -2.518 20 0 CAADLO O=C(Cn1cnnn1)NC[C@H]1C[N@@H+](CCO)CCO1 ZINC001419572802 890333637 /nfs/dbraw/zinc/33/36/37/890333637.db2.gz PEDNXUOHDKFVDN-VIFPVBQESA-N 1 2 270.293 -2.518 20 0 CAADLO NC(=O)C[N@@H+]1CCCC[C@H]1CNC(=O)Cn1cnnn1 ZINC001419596938 890334050 /nfs/dbraw/zinc/33/40/50/890334050.db2.gz YFZSANHIJDFACL-VIFPVBQESA-N 1 2 281.320 -1.871 20 0 CAADLO NC(=O)C[N@H+]1CCCC[C@H]1CNC(=O)Cn1cnnn1 ZINC001419596938 890334066 /nfs/dbraw/zinc/33/40/66/890334066.db2.gz YFZSANHIJDFACL-VIFPVBQESA-N 1 2 281.320 -1.871 20 0 CAADLO O=C(CC1OCCCO1)NC[C@@H]1C[N@H+](CCO)CCO1 ZINC001419573922 890334524 /nfs/dbraw/zinc/33/45/24/890334524.db2.gz UMJMUTWVZJVNPG-LLVKDONJSA-N 1 2 288.344 -1.051 20 0 CAADLO O=C(CC1OCCCO1)NC[C@@H]1C[N@@H+](CCO)CCO1 ZINC001419573922 890334542 /nfs/dbraw/zinc/33/45/42/890334542.db2.gz UMJMUTWVZJVNPG-LLVKDONJSA-N 1 2 288.344 -1.051 20 0 CAADLO Cc1nnc(CC(=O)NC[C@H]2C[N@H+](CCO)CCO2)o1 ZINC001419572251 890334746 /nfs/dbraw/zinc/33/47/46/890334746.db2.gz PZZKJELSAUHVJT-JTQLQIEISA-N 1 2 284.316 -1.270 20 0 CAADLO Cc1nnc(CC(=O)NC[C@H]2C[N@@H+](CCO)CCO2)o1 ZINC001419572251 890334769 /nfs/dbraw/zinc/33/47/69/890334769.db2.gz PZZKJELSAUHVJT-JTQLQIEISA-N 1 2 284.316 -1.270 20 0 CAADLO CC[C@@H](NC(C)=O)C(=O)NC[C@H]1C[N@H+](CCO)CCO1 ZINC001419581896 890335711 /nfs/dbraw/zinc/33/57/11/890335711.db2.gz OWPWNFYGQPNBFL-NWDGAFQWSA-N 1 2 287.360 -1.290 20 0 CAADLO CC[C@@H](NC(C)=O)C(=O)NC[C@H]1C[N@@H+](CCO)CCO1 ZINC001419581896 890335722 /nfs/dbraw/zinc/33/57/22/890335722.db2.gz OWPWNFYGQPNBFL-NWDGAFQWSA-N 1 2 287.360 -1.290 20 0 CAADLO COCC[N@@H+]1CCO[C@@H](CNC(=O)Cn2cnnn2)C1 ZINC001419561655 890335822 /nfs/dbraw/zinc/33/58/22/890335822.db2.gz AFXUDJYTUYVLPS-JTQLQIEISA-N 1 2 284.320 -1.864 20 0 CAADLO CNC(=O)CN1CCO[C@@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001419579815 890336000 /nfs/dbraw/zinc/33/60/00/890336000.db2.gz KHCAYJXDXPTDPB-NSHDSACASA-N 1 2 295.343 -1.485 20 0 CAADLO CC[C@H](NC(C)=O)C(=O)NC[C@H]1C[N@H+](CCO)CCO1 ZINC001419581899 890337303 /nfs/dbraw/zinc/33/73/03/890337303.db2.gz OWPWNFYGQPNBFL-RYUDHWBXSA-N 1 2 287.360 -1.290 20 0 CAADLO CC[C@H](NC(C)=O)C(=O)NC[C@H]1C[N@@H+](CCO)CCO1 ZINC001419581899 890337317 /nfs/dbraw/zinc/33/73/17/890337317.db2.gz OWPWNFYGQPNBFL-RYUDHWBXSA-N 1 2 287.360 -1.290 20 0 CAADLO CC[C@@H](NC(C)=O)C(=O)NC[C@@H]1C[N@H+](CCO)CCO1 ZINC001419581901 890337424 /nfs/dbraw/zinc/33/74/24/890337424.db2.gz OWPWNFYGQPNBFL-VXGBXAGGSA-N 1 2 287.360 -1.290 20 0 CAADLO CC[C@@H](NC(C)=O)C(=O)NC[C@@H]1C[N@@H+](CCO)CCO1 ZINC001419581901 890337441 /nfs/dbraw/zinc/33/74/41/890337441.db2.gz OWPWNFYGQPNBFL-VXGBXAGGSA-N 1 2 287.360 -1.290 20 0 CAADLO Cc1noc(C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]2CNC(=O)N2)n1 ZINC001419709382 890343236 /nfs/dbraw/zinc/34/32/36/890343236.db2.gz KYIKHEUUSQTSHY-CBAPKCEASA-N 1 2 296.331 -1.004 20 0 CAADLO C[C@H](CNC(=O)[C@H]1COCCO1)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001419699008 890344493 /nfs/dbraw/zinc/34/44/93/890344493.db2.gz FFIKYEBALRCONJ-RKDXNWHRSA-N 1 2 299.331 -1.882 20 0 CAADLO Cc1noc(C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]2CNC(=O)N2)n1 ZINC001419709379 890345815 /nfs/dbraw/zinc/34/58/15/890345815.db2.gz KYIKHEUUSQTSHY-APPZFPTMSA-N 1 2 296.331 -1.004 20 0 CAADLO C[C@H](CNC(=O)c1cn[nH]n1)[NH2+][C@H](C)c1nnnn1C ZINC001419783025 890356271 /nfs/dbraw/zinc/35/62/71/890356271.db2.gz GSOXGQDMPYKOQO-RNFRBKRXSA-N 1 2 279.308 -1.203 20 0 CAADLO C[C@H](CNC(=O)c1cnn[nH]1)[NH2+][C@H](C)c1nnnn1C ZINC001419783025 890356285 /nfs/dbraw/zinc/35/62/85/890356285.db2.gz GSOXGQDMPYKOQO-RNFRBKRXSA-N 1 2 279.308 -1.203 20 0 CAADLO C[C@H](CNC(=O)[C@@H](C)CC(N)=O)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001419825017 890358429 /nfs/dbraw/zinc/35/84/29/890358429.db2.gz KHMFCHGLVDJQNI-JGVFFNPUSA-N 1 2 298.347 -1.786 20 0 CAADLO CCc1nnc(C[NH2+][C@@H](C)CNC(=O)[C@H]2CNC(=O)N2)o1 ZINC001419826187 890359495 /nfs/dbraw/zinc/35/94/95/890359495.db2.gz USCOPVWGIRUBPA-JGVFFNPUSA-N 1 2 296.331 -1.092 20 0 CAADLO CN(CC[N@H+](C)CC(N)=O)C(=O)[C@@H]1CCC(=O)NC1 ZINC001419979560 890366697 /nfs/dbraw/zinc/36/66/97/890366697.db2.gz GZRVXGCIAMZBDN-SECBINFHSA-N 1 2 270.333 -1.612 20 0 CAADLO CN(CC[N@@H+](C)CC(N)=O)C(=O)[C@@H]1CCC(=O)NC1 ZINC001419979560 890366710 /nfs/dbraw/zinc/36/67/10/890366710.db2.gz GZRVXGCIAMZBDN-SECBINFHSA-N 1 2 270.333 -1.612 20 0 CAADLO CN(CC[N@H+](C)CC(N)=O)C(=O)CO[C@H]1CCOC1 ZINC001419963824 890366821 /nfs/dbraw/zinc/36/68/21/890366821.db2.gz FNGQJLXGNQFEQP-JTQLQIEISA-N 1 2 273.333 -1.333 20 0 CAADLO CN(CC[N@@H+](C)CC(N)=O)C(=O)CO[C@H]1CCOC1 ZINC001419963824 890366837 /nfs/dbraw/zinc/36/68/37/890366837.db2.gz FNGQJLXGNQFEQP-JTQLQIEISA-N 1 2 273.333 -1.333 20 0 CAADLO C[C@@H](C(=O)NC(N)=O)[N@H+](C)CCN(C)C(=O)c1ccn[nH]1 ZINC001419948839 890368437 /nfs/dbraw/zinc/36/84/37/890368437.db2.gz JISCYXTYYZOOKG-QMMMGPOBSA-N 1 2 296.331 -1.003 20 0 CAADLO C[C@@H](C(=O)NC(N)=O)[N@@H+](C)CCN(C)C(=O)c1ccn[nH]1 ZINC001419948839 890368451 /nfs/dbraw/zinc/36/84/51/890368451.db2.gz JISCYXTYYZOOKG-QMMMGPOBSA-N 1 2 296.331 -1.003 20 0 CAADLO CC(=O)N(C)CC[N@@H+](C)CC(=O)N[C@H](C)C(=O)N(C)C ZINC001419933788 890369500 /nfs/dbraw/zinc/36/95/00/890369500.db2.gz GFSIQFGQJXDQIS-SNVBAGLBSA-N 1 2 286.376 -1.011 20 0 CAADLO CC(=O)N(C)CC[N@H+](C)CC(=O)N[C@H](C)C(=O)N(C)C ZINC001419933788 890369516 /nfs/dbraw/zinc/36/95/16/890369516.db2.gz GFSIQFGQJXDQIS-SNVBAGLBSA-N 1 2 286.376 -1.011 20 0 CAADLO Cc1cc(C(=O)N(C)CC[N@H+](C)CC(=O)NC(N)=O)[nH]n1 ZINC001419955809 890369562 /nfs/dbraw/zinc/36/95/62/890369562.db2.gz XSGPTYDABXVHFX-UHFFFAOYSA-N 1 2 296.331 -1.083 20 0 CAADLO Cc1cc(C(=O)N(C)CC[N@@H+](C)CC(=O)NC(N)=O)[nH]n1 ZINC001419955809 890369577 /nfs/dbraw/zinc/36/95/77/890369577.db2.gz XSGPTYDABXVHFX-UHFFFAOYSA-N 1 2 296.331 -1.083 20 0 CAADLO Cc1cc(C(=O)N(C)CC[N@H+](C)CC(=O)NC(N)=O)n[nH]1 ZINC001419955809 890369591 /nfs/dbraw/zinc/36/95/91/890369591.db2.gz XSGPTYDABXVHFX-UHFFFAOYSA-N 1 2 296.331 -1.083 20 0 CAADLO Cc1cc(C(=O)N(C)CC[N@@H+](C)CC(=O)NC(N)=O)n[nH]1 ZINC001419955809 890369603 /nfs/dbraw/zinc/36/96/03/890369603.db2.gz XSGPTYDABXVHFX-UHFFFAOYSA-N 1 2 296.331 -1.083 20 0 CAADLO CC(=O)N(C)CC[N@@H+](C)CC(=O)N[C@@H](C)C(=O)N(C)C ZINC001419933785 890369672 /nfs/dbraw/zinc/36/96/72/890369672.db2.gz GFSIQFGQJXDQIS-JTQLQIEISA-N 1 2 286.376 -1.011 20 0 CAADLO CC(=O)N(C)CC[N@H+](C)CC(=O)N[C@@H](C)C(=O)N(C)C ZINC001419933785 890369683 /nfs/dbraw/zinc/36/96/83/890369683.db2.gz GFSIQFGQJXDQIS-JTQLQIEISA-N 1 2 286.376 -1.011 20 0 CAADLO CN(CC[N@H+](C)CC(N)=O)C(=O)[C@H]1CCC(=O)NC1 ZINC001419979569 890370218 /nfs/dbraw/zinc/37/02/18/890370218.db2.gz GZRVXGCIAMZBDN-VIFPVBQESA-N 1 2 270.333 -1.612 20 0 CAADLO CN(CC[N@@H+](C)CC(N)=O)C(=O)[C@H]1CCC(=O)NC1 ZINC001419979569 890370233 /nfs/dbraw/zinc/37/02/33/890370233.db2.gz GZRVXGCIAMZBDN-VIFPVBQESA-N 1 2 270.333 -1.612 20 0 CAADLO CCCNC(=O)C[N@H+](C)CCN(C)C(=O)Cn1ncnn1 ZINC001419965203 890371227 /nfs/dbraw/zinc/37/12/27/890371227.db2.gz DJNWTUNHBSEJBB-UHFFFAOYSA-N 1 2 297.363 -1.411 20 0 CAADLO CCCNC(=O)C[N@@H+](C)CCN(C)C(=O)Cn1ncnn1 ZINC001419965203 890371245 /nfs/dbraw/zinc/37/12/45/890371245.db2.gz DJNWTUNHBSEJBB-UHFFFAOYSA-N 1 2 297.363 -1.411 20 0 CAADLO CN(CC[N@H+](C)CC(N)=O)C(=O)[C@]1(C)CCC(=O)N1 ZINC001420009950 890372025 /nfs/dbraw/zinc/37/20/25/890372025.db2.gz SGLJDJWUVCDZNJ-LBPRGKRZSA-N 1 2 270.333 -1.469 20 0 CAADLO CN(CC[N@@H+](C)CC(N)=O)C(=O)[C@]1(C)CCC(=O)N1 ZINC001420009950 890372039 /nfs/dbraw/zinc/37/20/39/890372039.db2.gz SGLJDJWUVCDZNJ-LBPRGKRZSA-N 1 2 270.333 -1.469 20 0 CAADLO CN(CC[N@H+](C)Cc1cncn1C)C(=O)Cn1cnnn1 ZINC001419938936 890371681 /nfs/dbraw/zinc/37/16/81/890371681.db2.gz HIHYPKBMBUPGHG-UHFFFAOYSA-N 1 2 292.347 -1.003 20 0 CAADLO CN(CC[N@@H+](C)Cc1cncn1C)C(=O)Cn1cnnn1 ZINC001419938936 890371697 /nfs/dbraw/zinc/37/16/97/890371697.db2.gz HIHYPKBMBUPGHG-UHFFFAOYSA-N 1 2 292.347 -1.003 20 0 CAADLO CN(CC[N@H+](C)CC(N)=O)C(=O)[C@H]1CCNC(=O)CC1 ZINC001420001272 890372322 /nfs/dbraw/zinc/37/23/22/890372322.db2.gz YRFYTUCFWIFBTE-SNVBAGLBSA-N 1 2 284.360 -1.222 20 0 CAADLO CN(CC[N@@H+](C)CC(N)=O)C(=O)[C@H]1CCNC(=O)CC1 ZINC001420001272 890372334 /nfs/dbraw/zinc/37/23/34/890372334.db2.gz YRFYTUCFWIFBTE-SNVBAGLBSA-N 1 2 284.360 -1.222 20 0 CAADLO CNC(=O)C[N@H+](C)CCN(C)C(=O)[C@H]1CC[C@H]1C(N)=O ZINC001419993219 890372810 /nfs/dbraw/zinc/37/28/10/890372810.db2.gz LWHZIKVVQHERQH-ZJUUUORDSA-N 1 2 284.360 -1.366 20 0 CAADLO CNC(=O)C[N@@H+](C)CCN(C)C(=O)[C@H]1CC[C@H]1C(N)=O ZINC001419993219 890372826 /nfs/dbraw/zinc/37/28/26/890372826.db2.gz LWHZIKVVQHERQH-ZJUUUORDSA-N 1 2 284.360 -1.366 20 0 CAADLO CN(CC[N@H+](C)CC(=O)NC1CC1)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001420002768 890373004 /nfs/dbraw/zinc/37/30/04/890373004.db2.gz HFEVZRCNGWBDEQ-MNOVXSKESA-N 1 2 296.371 -1.223 20 0 CAADLO CN(CC[N@@H+](C)CC(=O)NC1CC1)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001420002768 890373019 /nfs/dbraw/zinc/37/30/19/890373019.db2.gz HFEVZRCNGWBDEQ-MNOVXSKESA-N 1 2 296.371 -1.223 20 0 CAADLO CCNC(=O)C[N@H+](C)CCN(C)C(=O)CCn1cnnn1 ZINC001420040143 890375693 /nfs/dbraw/zinc/37/56/93/890375693.db2.gz DGSIUMYKOVEIFN-UHFFFAOYSA-N 1 2 297.363 -1.411 20 0 CAADLO CCNC(=O)C[N@@H+](C)CCN(C)C(=O)CCn1cnnn1 ZINC001420040143 890375711 /nfs/dbraw/zinc/37/57/11/890375711.db2.gz DGSIUMYKOVEIFN-UHFFFAOYSA-N 1 2 297.363 -1.411 20 0 CAADLO CN(CC[N@H+](C)CC(N)=O)C(=O)Cn1ccccc1=O ZINC001420054165 890379819 /nfs/dbraw/zinc/37/98/19/890379819.db2.gz ITZCHGOUBIXOPA-UHFFFAOYSA-N 1 2 280.328 -1.276 20 0 CAADLO CN(CC[N@@H+](C)CC(N)=O)C(=O)Cn1ccccc1=O ZINC001420054165 890379836 /nfs/dbraw/zinc/37/98/36/890379836.db2.gz ITZCHGOUBIXOPA-UHFFFAOYSA-N 1 2 280.328 -1.276 20 0 CAADLO CNC(=O)[C@H](C)[NH2+]C[C@H](O)CNC(=O)c1[nH]nc(C)c1C ZINC001420114629 890386669 /nfs/dbraw/zinc/38/66/69/890386669.db2.gz QQRUIYWWCRUVES-UWVGGRQHSA-N 1 2 297.359 -1.159 20 0 CAADLO Cc1n[nH]c(C(=O)NC[C@@H](O)C[NH2+][C@H](C)C(N)=O)c1C ZINC001420117112 890389819 /nfs/dbraw/zinc/38/98/19/890389819.db2.gz WDYVJQVPCXKOOU-BDAKNGLRSA-N 1 2 283.332 -1.419 20 0 CAADLO Cn1cncc1C[N@H+](C)CCNC(=O)Cn1cnnn1 ZINC001420181999 890407613 /nfs/dbraw/zinc/40/76/13/890407613.db2.gz SFVCRWNOQPOLGQ-UHFFFAOYSA-N 1 2 278.320 -1.345 20 0 CAADLO Cn1cncc1C[N@@H+](C)CCNC(=O)Cn1cnnn1 ZINC001420181999 890407618 /nfs/dbraw/zinc/40/76/18/890407618.db2.gz SFVCRWNOQPOLGQ-UHFFFAOYSA-N 1 2 278.320 -1.345 20 0 CAADLO C[C@@H](C(=O)NCC[N@H+](C)CC(=O)N(C)C)n1cncn1 ZINC001420194470 890410145 /nfs/dbraw/zinc/41/01/45/890410145.db2.gz QZXPPRFQEHEPGZ-JTQLQIEISA-N 1 2 282.348 -1.025 20 0 CAADLO C[C@@H](C(=O)NCC[N@@H+](C)CC(=O)N(C)C)n1cncn1 ZINC001420194470 890410148 /nfs/dbraw/zinc/41/01/48/890410148.db2.gz QZXPPRFQEHEPGZ-JTQLQIEISA-N 1 2 282.348 -1.025 20 0 CAADLO O=C(Cn1cncn1)NC[C@@H](O)C[NH2+]Cc1cnsn1 ZINC001420210019 890414315 /nfs/dbraw/zinc/41/43/15/890414315.db2.gz YUHKGBSJSZUFDF-VIFPVBQESA-N 1 2 297.344 -1.604 20 0 CAADLO O=C(Cn1cncn1)NC[C@H](O)C[NH2+]Cc1cnsn1 ZINC001420210014 890414505 /nfs/dbraw/zinc/41/45/05/890414505.db2.gz YUHKGBSJSZUFDF-SECBINFHSA-N 1 2 297.344 -1.604 20 0 CAADLO Cn1[nH]c(C[N@H+](C)CCNC(=O)[C@H]2CCOC2)nc1=O ZINC001420197781 890414800 /nfs/dbraw/zinc/41/48/00/890414800.db2.gz NWZFLWOZYZEILX-VIFPVBQESA-N 1 2 283.332 -1.307 20 0 CAADLO Cn1[nH]c(C[N@@H+](C)CCNC(=O)[C@H]2CCOC2)nc1=O ZINC001420197781 890414814 /nfs/dbraw/zinc/41/48/14/890414814.db2.gz NWZFLWOZYZEILX-VIFPVBQESA-N 1 2 283.332 -1.307 20 0 CAADLO CCCNC(=O)C[N@H+](C)CCNC(=O)[C@H](C)NC(N)=O ZINC001420211454 890417879 /nfs/dbraw/zinc/41/78/79/890417879.db2.gz FZFPHWZTXRMQEZ-VIFPVBQESA-N 1 2 287.364 -1.383 20 0 CAADLO CCCNC(=O)C[N@@H+](C)CCNC(=O)[C@H](C)NC(N)=O ZINC001420211454 890417885 /nfs/dbraw/zinc/41/78/85/890417885.db2.gz FZFPHWZTXRMQEZ-VIFPVBQESA-N 1 2 287.364 -1.383 20 0 CAADLO CNC(=O)C[N@H+](C)CCNC(=O)[C@H]1CCN(C)C(=O)C1 ZINC001420254725 890421624 /nfs/dbraw/zinc/42/16/24/890421624.db2.gz NHCIVZIUOIDJNU-JTQLQIEISA-N 1 2 284.360 -1.351 20 0 CAADLO CNC(=O)C[N@@H+](C)CCNC(=O)[C@H]1CCN(C)C(=O)C1 ZINC001420254725 890421634 /nfs/dbraw/zinc/42/16/34/890421634.db2.gz NHCIVZIUOIDJNU-JTQLQIEISA-N 1 2 284.360 -1.351 20 0 CAADLO C[N@H+](CCNC(=O)[C@H]1CCn2ccnc2C1)CC(N)=O ZINC001420251537 890422683 /nfs/dbraw/zinc/42/26/83/890422683.db2.gz GSZUNHDHHFENCW-JTQLQIEISA-N 1 2 279.344 -1.021 20 0 CAADLO C[N@@H+](CCNC(=O)[C@H]1CCn2ccnc2C1)CC(N)=O ZINC001420251537 890422689 /nfs/dbraw/zinc/42/26/89/890422689.db2.gz GSZUNHDHHFENCW-JTQLQIEISA-N 1 2 279.344 -1.021 20 0 CAADLO CNC(=O)C[N@H+](C)CCNC(=O)c1ccoc1CC(N)=O ZINC001420285437 890424619 /nfs/dbraw/zinc/42/46/19/890424619.db2.gz UXHWZJYWGOARHT-UHFFFAOYSA-N 1 2 296.327 -1.285 20 0 CAADLO CNC(=O)C[N@@H+](C)CCNC(=O)c1ccoc1CC(N)=O ZINC001420285437 890424633 /nfs/dbraw/zinc/42/46/33/890424633.db2.gz UXHWZJYWGOARHT-UHFFFAOYSA-N 1 2 296.327 -1.285 20 0 CAADLO CN1C[C@H](C(=O)NCC[N@H+](C)Cc2ccnn2C)NC1=O ZINC001420286233 890425529 /nfs/dbraw/zinc/42/55/29/890425529.db2.gz PUIBACDMAAJLQR-LLVKDONJSA-N 1 2 294.359 -1.008 20 0 CAADLO CN1C[C@H](C(=O)NCC[N@@H+](C)Cc2ccnn2C)NC1=O ZINC001420286233 890425538 /nfs/dbraw/zinc/42/55/38/890425538.db2.gz PUIBACDMAAJLQR-LLVKDONJSA-N 1 2 294.359 -1.008 20 0 CAADLO CN1C[C@@H](C(=O)NCC[N@H+](C)Cc2ccnn2C)NC1=O ZINC001420286238 890425662 /nfs/dbraw/zinc/42/56/62/890425662.db2.gz PUIBACDMAAJLQR-NSHDSACASA-N 1 2 294.359 -1.008 20 0 CAADLO CN1C[C@@H](C(=O)NCC[N@@H+](C)Cc2ccnn2C)NC1=O ZINC001420286238 890425675 /nfs/dbraw/zinc/42/56/75/890425675.db2.gz PUIBACDMAAJLQR-NSHDSACASA-N 1 2 294.359 -1.008 20 0 CAADLO C[C@H](C[NH2+]Cc1cnon1)NC(=O)C1CS(=O)(=O)C1 ZINC001420292639 890426077 /nfs/dbraw/zinc/42/60/77/890426077.db2.gz RMIIXKZLJYRIHE-SSDOTTSWSA-N 1 2 288.329 -1.292 20 0 CAADLO Cc1nn[nH]c1C(=O)NCC[N@@H+](C)Cc1nc(=O)n(C)[nH]1 ZINC001420287634 890426832 /nfs/dbraw/zinc/42/68/32/890426832.db2.gz MOLYEXYSPWYMRA-UHFFFAOYSA-N 1 2 294.319 -1.603 20 0 CAADLO Cc1nn[nH]c1C(=O)NCC[N@H+](C)Cc1nc(=O)n(C)[nH]1 ZINC001420287634 890426837 /nfs/dbraw/zinc/42/68/37/890426837.db2.gz MOLYEXYSPWYMRA-UHFFFAOYSA-N 1 2 294.319 -1.603 20 0 CAADLO C[N@H+](CCNC(=O)c1ccc(C(N)=O)s1)CC(N)=O ZINC001420308732 890428357 /nfs/dbraw/zinc/42/83/57/890428357.db2.gz DUBVARWGWDRIIN-UHFFFAOYSA-N 1 2 284.341 -1.006 20 0 CAADLO C[N@@H+](CCNC(=O)c1ccc(C(N)=O)s1)CC(N)=O ZINC001420308732 890428365 /nfs/dbraw/zinc/42/83/65/890428365.db2.gz DUBVARWGWDRIIN-UHFFFAOYSA-N 1 2 284.341 -1.006 20 0 CAADLO CNC(=O)C[N@H+](C)CCNC(=O)c1ccc(OC)nn1 ZINC001420324889 890428441 /nfs/dbraw/zinc/42/84/41/890428441.db2.gz PPSCUCHRMWHOMX-UHFFFAOYSA-N 1 2 281.316 -1.107 20 0 CAADLO CNC(=O)C[N@@H+](C)CCNC(=O)c1ccc(OC)nn1 ZINC001420324889 890428448 /nfs/dbraw/zinc/42/84/48/890428448.db2.gz PPSCUCHRMWHOMX-UHFFFAOYSA-N 1 2 281.316 -1.107 20 0 CAADLO CN(C(=O)C[N@H+](C)CCNC(=O)[C@@H]1CCC(=O)N1)C1CC1 ZINC001420332797 890428799 /nfs/dbraw/zinc/42/87/99/890428799.db2.gz GHLCLRBPXDBOTD-NSHDSACASA-N 1 2 296.371 -1.066 20 0 CAADLO CN(C(=O)C[N@@H+](C)CCNC(=O)[C@@H]1CCC(=O)N1)C1CC1 ZINC001420332797 890428803 /nfs/dbraw/zinc/42/88/03/890428803.db2.gz GHLCLRBPXDBOTD-NSHDSACASA-N 1 2 296.371 -1.066 20 0 CAADLO CCN(CC)C(=O)C[N@H+](C)CCNC(=O)[C@@H]1CNC(=O)N1 ZINC001420296341 890428860 /nfs/dbraw/zinc/42/88/60/890428860.db2.gz XVOKDCPUSFQBDX-JTQLQIEISA-N 1 2 299.375 -1.416 20 0 CAADLO CCN(CC)C(=O)C[N@@H+](C)CCNC(=O)[C@@H]1CNC(=O)N1 ZINC001420296341 890428866 /nfs/dbraw/zinc/42/88/66/890428866.db2.gz XVOKDCPUSFQBDX-JTQLQIEISA-N 1 2 299.375 -1.416 20 0 CAADLO CC(=O)NCC(C)(C)C(=O)NCC[N@@H+](C)CC(N)=O ZINC001420313935 890429189 /nfs/dbraw/zinc/42/91/89/890429189.db2.gz NRSPYICMGZPCQY-UHFFFAOYSA-N 1 2 272.349 -1.318 20 0 CAADLO CC(=O)NCC(C)(C)C(=O)NCC[N@H+](C)CC(N)=O ZINC001420313935 890429194 /nfs/dbraw/zinc/42/91/94/890429194.db2.gz NRSPYICMGZPCQY-UHFFFAOYSA-N 1 2 272.349 -1.318 20 0 CAADLO Cn1[nH]c(C[N@H+](C)CCNC(=O)c2cccnn2)nc1=O ZINC001420320321 890429623 /nfs/dbraw/zinc/42/96/23/890429623.db2.gz WIYFQBQDZRDXMJ-UHFFFAOYSA-N 1 2 291.315 -1.240 20 0 CAADLO Cn1[nH]c(C[N@@H+](C)CCNC(=O)c2cccnn2)nc1=O ZINC001420320321 890429628 /nfs/dbraw/zinc/42/96/28/890429628.db2.gz WIYFQBQDZRDXMJ-UHFFFAOYSA-N 1 2 291.315 -1.240 20 0 CAADLO CNC(=O)C[N@H+](C)CCNC(=O)c1ccc(C(N)=O)nc1 ZINC001420357029 890431837 /nfs/dbraw/zinc/43/18/37/890431837.db2.gz BIHJXLPIZYOOLR-UHFFFAOYSA-N 1 2 293.327 -1.412 20 0 CAADLO CNC(=O)C[N@@H+](C)CCNC(=O)c1ccc(C(N)=O)nc1 ZINC001420357029 890431841 /nfs/dbraw/zinc/43/18/41/890431841.db2.gz BIHJXLPIZYOOLR-UHFFFAOYSA-N 1 2 293.327 -1.412 20 0 CAADLO CNC(=O)C[N@H+](C)CCNC(=O)c1nccnc1C(N)=O ZINC001420347321 890433080 /nfs/dbraw/zinc/43/30/80/890433080.db2.gz WEMILDMICLUUTO-UHFFFAOYSA-N 1 2 294.315 -2.017 20 0 CAADLO CNC(=O)C[N@@H+](C)CCNC(=O)c1nccnc1C(N)=O ZINC001420347321 890433088 /nfs/dbraw/zinc/43/30/88/890433088.db2.gz WEMILDMICLUUTO-UHFFFAOYSA-N 1 2 294.315 -2.017 20 0 CAADLO C[N@H+](CCNC(=O)Cn1cncn1)CC(=O)NCC1CC1 ZINC001420341960 890433568 /nfs/dbraw/zinc/43/35/68/890433568.db2.gz PXORPPGNYDHCSD-UHFFFAOYSA-N 1 2 294.359 -1.148 20 0 CAADLO C[N@@H+](CCNC(=O)Cn1cncn1)CC(=O)NCC1CC1 ZINC001420341960 890433578 /nfs/dbraw/zinc/43/35/78/890433578.db2.gz PXORPPGNYDHCSD-UHFFFAOYSA-N 1 2 294.359 -1.148 20 0 CAADLO C[N@H+](CCNC(=O)Cn1cncn1)CC(=O)NC1CC1 ZINC001420341415 890433659 /nfs/dbraw/zinc/43/36/59/890433659.db2.gz MWEAAHCTXWDQEB-UHFFFAOYSA-N 1 2 280.332 -1.395 20 0 CAADLO C[N@@H+](CCNC(=O)Cn1cncn1)CC(=O)NC1CC1 ZINC001420341415 890433673 /nfs/dbraw/zinc/43/36/73/890433673.db2.gz MWEAAHCTXWDQEB-UHFFFAOYSA-N 1 2 280.332 -1.395 20 0 CAADLO C[C@@]1(C(=O)NC[C@H]2CCC[N@@H+]2CC(N)=O)CCC(=O)N1 ZINC001420482918 890446318 /nfs/dbraw/zinc/44/63/18/890446318.db2.gz FBXXKTOUTSFVNO-RNCFNFMXSA-N 1 2 282.344 -1.279 20 0 CAADLO C[C@@]1(C(=O)NC[C@H]2CCC[N@H+]2CC(N)=O)CCC(=O)N1 ZINC001420482918 890446323 /nfs/dbraw/zinc/44/63/23/890446323.db2.gz FBXXKTOUTSFVNO-RNCFNFMXSA-N 1 2 282.344 -1.279 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](CNC(=O)CCc2nc[nH]n2)C1 ZINC001420516001 890448229 /nfs/dbraw/zinc/44/82/29/890448229.db2.gz KRJAPBNNEIUKGI-SECBINFHSA-N 1 2 280.332 -1.339 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](CNC(=O)CCc2nc[nH]n2)C1 ZINC001420516001 890448231 /nfs/dbraw/zinc/44/82/31/890448231.db2.gz KRJAPBNNEIUKGI-SECBINFHSA-N 1 2 280.332 -1.339 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](CNC(=O)CCc2nc[nH]n2)C1 ZINC001420516006 890448838 /nfs/dbraw/zinc/44/88/38/890448838.db2.gz KRJAPBNNEIUKGI-VIFPVBQESA-N 1 2 280.332 -1.339 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](CNC(=O)CCc2nc[nH]n2)C1 ZINC001420516006 890448845 /nfs/dbraw/zinc/44/88/45/890448845.db2.gz KRJAPBNNEIUKGI-VIFPVBQESA-N 1 2 280.332 -1.339 20 0 CAADLO CC(=O)NCC(=O)NC[C@@H]1CC[N@@H+](Cc2cnn(C)n2)C1 ZINC001420504113 890449390 /nfs/dbraw/zinc/44/93/90/890449390.db2.gz OXGQGTGTQFDKJN-NSHDSACASA-N 1 2 294.359 -1.111 20 0 CAADLO CC(=O)NCC(=O)NC[C@@H]1CC[N@H+](Cc2cnn(C)n2)C1 ZINC001420504113 890449397 /nfs/dbraw/zinc/44/93/97/890449397.db2.gz OXGQGTGTQFDKJN-NSHDSACASA-N 1 2 294.359 -1.111 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+]1CC[C@@H]1CNC(=O)CNC(C)=O ZINC001420796057 890463656 /nfs/dbraw/zinc/46/36/56/890463656.db2.gz MNCHRECCXUZQLQ-WCBMZHEXSA-N 1 2 270.333 -1.553 20 0 CAADLO CNC(=O)[C@H](C)[N@H+]1CC[C@@H]1CNC(=O)CNC(C)=O ZINC001420796057 890463664 /nfs/dbraw/zinc/46/36/64/890463664.db2.gz MNCHRECCXUZQLQ-WCBMZHEXSA-N 1 2 270.333 -1.553 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CC[C@@H]1CNC(=O)CN1CCOCC1 ZINC001420816502 890463989 /nfs/dbraw/zinc/46/39/89/890463989.db2.gz WFECTOFJJPLKBU-WDEREUQCSA-N 1 2 284.360 -1.617 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CC[C@@H]1CNC(=O)CN1CCOCC1 ZINC001420816502 890463999 /nfs/dbraw/zinc/46/39/99/890463999.db2.gz WFECTOFJJPLKBU-WDEREUQCSA-N 1 2 284.360 -1.617 20 0 CAADLO CC(=O)N(C)CC(=O)NC[C@H]1CC[N@H+]1CC(=O)N(C)C ZINC001420822754 890464983 /nfs/dbraw/zinc/46/49/83/890464983.db2.gz WAVPFFIYEJPKKM-LLVKDONJSA-N 1 2 284.360 -1.257 20 0 CAADLO CC(=O)N(C)CC(=O)NC[C@H]1CC[N@@H+]1CC(=O)N(C)C ZINC001420822754 890464989 /nfs/dbraw/zinc/46/49/89/890464989.db2.gz WAVPFFIYEJPKKM-LLVKDONJSA-N 1 2 284.360 -1.257 20 0 CAADLO CC[C@H](C(N)=O)[N@@H+]1CC[C@H]1CNC(=O)CNC(=O)C1CC1 ZINC001420802174 890465773 /nfs/dbraw/zinc/46/57/73/890465773.db2.gz JTKOXNOAVAFXFN-WDEREUQCSA-N 1 2 296.371 -1.033 20 0 CAADLO CC[C@H](C(N)=O)[N@H+]1CC[C@H]1CNC(=O)CNC(=O)C1CC1 ZINC001420802174 890465781 /nfs/dbraw/zinc/46/57/81/890465781.db2.gz JTKOXNOAVAFXFN-WDEREUQCSA-N 1 2 296.371 -1.033 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+]1CC[C@H]1CNC(=O)CNC(C)=O ZINC001420796062 890466017 /nfs/dbraw/zinc/46/60/17/890466017.db2.gz MNCHRECCXUZQLQ-WPRPVWTQSA-N 1 2 270.333 -1.553 20 0 CAADLO CNC(=O)[C@H](C)[N@H+]1CC[C@H]1CNC(=O)CNC(C)=O ZINC001420796062 890466021 /nfs/dbraw/zinc/46/60/21/890466021.db2.gz MNCHRECCXUZQLQ-WPRPVWTQSA-N 1 2 270.333 -1.553 20 0 CAADLO CCN(C)C(=O)C[N@@H+]1CC[C@H]1CNC(=O)Cn1ncnn1 ZINC001420832828 890467660 /nfs/dbraw/zinc/46/76/60/890467660.db2.gz JYQFFYTWFQMCIE-JTQLQIEISA-N 1 2 295.347 -1.658 20 0 CAADLO CCN(C)C(=O)C[N@H+]1CC[C@H]1CNC(=O)Cn1ncnn1 ZINC001420832828 890467666 /nfs/dbraw/zinc/46/76/66/890467666.db2.gz JYQFFYTWFQMCIE-JTQLQIEISA-N 1 2 295.347 -1.658 20 0 CAADLO CO[C@H](C)C(=O)N(C)CC[NH+]1CCN(CC(N)=O)CC1 ZINC001420893164 890468439 /nfs/dbraw/zinc/46/84/39/890468439.db2.gz DECJGOHLVHBQKT-LLVKDONJSA-N 1 2 286.376 -1.417 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CC[C@H]1CNC(=O)CCc1cnn(C)n1 ZINC001420852039 890468722 /nfs/dbraw/zinc/46/87/22/890468722.db2.gz BTQXRLKMKJKQFG-ONGXEEELSA-N 1 2 294.359 -1.188 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CC[C@H]1CNC(=O)CCc1cnn(C)n1 ZINC001420852039 890468730 /nfs/dbraw/zinc/46/87/30/890468730.db2.gz BTQXRLKMKJKQFG-ONGXEEELSA-N 1 2 294.359 -1.188 20 0 CAADLO CC[C@@H](C(N)=O)[N@@H+]1CC[C@@H]1CNC(=O)Cn1cncn1 ZINC001420896788 890471628 /nfs/dbraw/zinc/47/16/28/890471628.db2.gz IHWHIIJJVMDICA-ZJUUUORDSA-N 1 2 280.332 -1.268 20 0 CAADLO CC[C@@H](C(N)=O)[N@H+]1CC[C@@H]1CNC(=O)Cn1cncn1 ZINC001420896788 890471637 /nfs/dbraw/zinc/47/16/37/890471637.db2.gz IHWHIIJJVMDICA-ZJUUUORDSA-N 1 2 280.332 -1.268 20 0 CAADLO Cn1cnnc1C[NH2+]C1(CNC(=O)[C@H]2COC(=O)N2)CC1 ZINC001420934403 890471704 /nfs/dbraw/zinc/47/17/04/890471704.db2.gz YPMCRYVYOOKAMT-MRVPVSSYSA-N 1 2 294.315 -1.338 20 0 CAADLO O=C(Cn1cnnn1)NCC1([NH2+]Cc2ncccn2)CC1 ZINC001420909743 890472385 /nfs/dbraw/zinc/47/23/85/890472385.db2.gz HYXSWMWNDPUFEL-UHFFFAOYSA-N 1 2 288.315 -1.098 20 0 CAADLO CCN(C)C(=O)C[N@@H+]1CC[C@H]1CNC(=O)Cn1cncn1 ZINC001420896746 890472507 /nfs/dbraw/zinc/47/25/07/890472507.db2.gz IFMBUYFOWHFBBX-NSHDSACASA-N 1 2 294.359 -1.053 20 0 CAADLO CCN(C)C(=O)C[N@H+]1CC[C@H]1CNC(=O)Cn1cncn1 ZINC001420896746 890472519 /nfs/dbraw/zinc/47/25/19/890472519.db2.gz IFMBUYFOWHFBBX-NSHDSACASA-N 1 2 294.359 -1.053 20 0 CAADLO C[C@H](C(=O)N(C)C)[N@@H+]1CC[C@H]1CNC(=O)CCNC(N)=O ZINC001420901702 890473246 /nfs/dbraw/zinc/47/32/46/890473246.db2.gz TYGWGSXPKDYTGB-ZJUUUORDSA-N 1 2 299.375 -1.288 20 0 CAADLO C[C@H](C(=O)N(C)C)[N@H+]1CC[C@H]1CNC(=O)CCNC(N)=O ZINC001420901702 890473253 /nfs/dbraw/zinc/47/32/53/890473253.db2.gz TYGWGSXPKDYTGB-ZJUUUORDSA-N 1 2 299.375 -1.288 20 0 CAADLO CC(=O)NCC(=O)NCC1([NH2+]Cc2nnc(C)[nH]2)CC1 ZINC001420906479 890473568 /nfs/dbraw/zinc/47/35/68/890473568.db2.gz YOXOUYWFUWUCSJ-UHFFFAOYSA-N 1 2 280.332 -1.012 20 0 CAADLO CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)[C@H](C)NC(N)=O)C1 ZINC001420981274 890474607 /nfs/dbraw/zinc/47/46/07/890474607.db2.gz RVECYXWHNAZZBF-VHSXEESVSA-N 1 2 299.375 -1.240 20 0 CAADLO CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)[C@H](C)NC(N)=O)C1 ZINC001420981274 890474619 /nfs/dbraw/zinc/47/46/19/890474619.db2.gz RVECYXWHNAZZBF-VHSXEESVSA-N 1 2 299.375 -1.240 20 0 CAADLO Cn1nnc(C(=O)NCC2([NH2+]Cc3ncnn3C)CC2)n1 ZINC001420970015 890476345 /nfs/dbraw/zinc/47/63/45/890476345.db2.gz MDGGKGSAONLVKI-UHFFFAOYSA-N 1 2 291.319 -1.609 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@H](NC(=O)CCn2cncn2)C1 ZINC001420991008 890477296 /nfs/dbraw/zinc/47/72/96/890477296.db2.gz DORVFFCCFXWPOT-JTQLQIEISA-N 1 2 280.332 -1.266 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@H](NC(=O)CCn2cncn2)C1 ZINC001420991008 890477310 /nfs/dbraw/zinc/47/73/10/890477310.db2.gz DORVFFCCFXWPOT-JTQLQIEISA-N 1 2 280.332 -1.266 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(NC(=O)C2CN(C(C)=O)C2)C1 ZINC001421034307 890478697 /nfs/dbraw/zinc/47/86/97/890478697.db2.gz VXMFYOXLLSMLCG-LBPRGKRZSA-N 1 2 285.344 -1.728 20 0 CAADLO C[C@H](NC(N)=O)C(=O)NC1CN(Cc2c[nH+]cn2C)C1 ZINC001421030251 890479307 /nfs/dbraw/zinc/47/93/07/890479307.db2.gz LXLJLGJZMXYRII-QMMMGPOBSA-N 1 2 280.332 -1.223 20 0 CAADLO CC(=O)NCC(=O)NCC(=O)NC1C[NH+](CCCO)C1 ZINC001421042476 890482162 /nfs/dbraw/zinc/48/21/62/890482162.db2.gz DCPFKCSWWBBWNC-UHFFFAOYSA-N 1 2 286.332 -2.579 20 0 CAADLO COC[C@H](O)C[NH+]1CC(NC(=O)c2cn[nH]c(=O)c2)C1 ZINC001421050753 890482378 /nfs/dbraw/zinc/48/23/78/890482378.db2.gz GDXNNMHSJBVLNY-SNVBAGLBSA-N 1 2 282.300 -1.397 20 0 CAADLO Cn1nnc(CN2CC(NC(=O)CCc3c[nH]c[nH+]3)C2)n1 ZINC001421037537 890482537 /nfs/dbraw/zinc/48/25/37/890482537.db2.gz YGUZLWKIRSNGGM-UHFFFAOYSA-N 1 2 290.331 -1.134 20 0 CAADLO Cn1nnc(CN2CC(NC(=O)CCc3c[nH+]c[nH]3)C2)n1 ZINC001421037537 890482540 /nfs/dbraw/zinc/48/25/40/890482540.db2.gz YGUZLWKIRSNGGM-UHFFFAOYSA-N 1 2 290.331 -1.134 20 0 CAADLO COC[C@H](O)C[NH+]1CC(NC(=O)c2c[nH]c(=O)cn2)C1 ZINC001421065798 890482597 /nfs/dbraw/zinc/48/25/97/890482597.db2.gz VYYUNYFRFCBKRP-SECBINFHSA-N 1 2 282.300 -1.809 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(NC(=O)c2cn[nH]c(=O)c2)C1 ZINC001421050752 890482618 /nfs/dbraw/zinc/48/26/18/890482618.db2.gz GDXNNMHSJBVLNY-JTQLQIEISA-N 1 2 282.300 -1.397 20 0 CAADLO COC(=O)NCC(=O)N(C)C1C[NH+](CCn2cncn2)C1 ZINC001421051544 890482647 /nfs/dbraw/zinc/48/26/47/890482647.db2.gz MQZQUBMOYDDGPP-UHFFFAOYSA-N 1 2 296.331 -1.223 20 0 CAADLO COC[C@H](O)C[NH+]1CC(NC(=O)CCCn2cncn2)C1 ZINC001421084693 890483884 /nfs/dbraw/zinc/48/38/84/890483884.db2.gz QFPWLVLLBOJSNW-GFCCVEGCSA-N 1 2 297.359 -1.134 20 0 CAADLO COC[C@H](O)C[NH+]1CC(NC(=O)Cc2nonc2C)C1 ZINC001421074211 890484225 /nfs/dbraw/zinc/48/42/25/890484225.db2.gz CFNSFBVUAALSJJ-SNVBAGLBSA-N 1 2 284.316 -1.272 20 0 CAADLO C[C@H](C(N)=O)[NH+]1CC(CNC(=O)CCn2cncn2)C1 ZINC001421108037 890484257 /nfs/dbraw/zinc/48/42/57/890484257.db2.gz ZVWGRFHGRLZVOF-SECBINFHSA-N 1 2 280.332 -1.410 20 0 CAADLO CCS(=O)(=O)NCC[NH+]1CC(CNC(=O)COC)C1 ZINC001421106951 890484337 /nfs/dbraw/zinc/48/43/37/890484337.db2.gz WTWRLPZXWSMZBL-UHFFFAOYSA-N 1 2 293.389 -1.380 20 0 CAADLO C[C@]1(CC(=O)NC2C[NH+](CCO)C2)CCS(=O)(=O)N1 ZINC001421092163 890484359 /nfs/dbraw/zinc/48/43/59/890484359.db2.gz DOWZCDGLOUMNNL-LLVKDONJSA-N 1 2 291.373 -1.749 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(NC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001421091057 890484484 /nfs/dbraw/zinc/48/44/84/890484484.db2.gz JEQPGSGIHPXGLY-UWVGGRQHSA-N 1 2 271.317 -1.927 20 0 CAADLO CN(C(=O)COCc1nncn1C)C1C[NH+](CCO)C1 ZINC001421078393 890485142 /nfs/dbraw/zinc/48/51/42/890485142.db2.gz HKXAUDNERVXBPP-UHFFFAOYSA-N 1 2 283.332 -1.533 20 0 CAADLO CCNC(=O)C[NH+]1CC(CNC(=O)CNC(C)=O)C1 ZINC001421106359 890485236 /nfs/dbraw/zinc/48/52/36/890485236.db2.gz XYSFJWJCKHQJQI-UHFFFAOYSA-N 1 2 270.333 -1.693 20 0 CAADLO C[C@@H](C(N)=O)[NH+]1CC(CNC(=O)CCn2cncn2)C1 ZINC001421108040 890485374 /nfs/dbraw/zinc/48/53/74/890485374.db2.gz ZVWGRFHGRLZVOF-VIFPVBQESA-N 1 2 280.332 -1.410 20 0 CAADLO NC(=O)NC(=O)C[NH+]1CC(CNC(=O)c2cccnc2)C1 ZINC001421103799 890485485 /nfs/dbraw/zinc/48/54/85/890485485.db2.gz NWDDEEMGQQYJOH-UHFFFAOYSA-N 1 2 291.311 -1.062 20 0 CAADLO CN(C)S(=O)(=O)CCC(=O)NC1C[NH+](CCCO)C1 ZINC001421099528 890485719 /nfs/dbraw/zinc/48/57/19/890485719.db2.gz KEDLYFLNYIRNEM-UHFFFAOYSA-N 1 2 293.389 -1.549 20 0 CAADLO CNC(=O)C[NH+]1CC(CNC(=O)[C@H](COC)OC)C1 ZINC001421156080 890486833 /nfs/dbraw/zinc/48/68/33/890486833.db2.gz AZIMDAJPXYOPBX-JTQLQIEISA-N 1 2 273.333 -1.558 20 0 CAADLO NC(=O)NC(=O)C[NH+]1CC(CNC(=O)Cc2ncc[nH]2)C1 ZINC001421163770 890487017 /nfs/dbraw/zinc/48/70/17/890487017.db2.gz BMAQXVOQHKMAHN-UHFFFAOYSA-N 1 2 294.315 -1.805 20 0 CAADLO CCNC(=O)C[NH+]1CC(CNC(=O)c2nnn(C)c2C)C1 ZINC001421125870 890487095 /nfs/dbraw/zinc/48/70/95/890487095.db2.gz CBWVHLDJSXNUTD-UHFFFAOYSA-N 1 2 294.359 -1.079 20 0 CAADLO CNC(=O)NCC(=O)NCC1C[NH+]([C@H]2CCNC2=O)C1 ZINC001421141488 890487162 /nfs/dbraw/zinc/48/71/62/890487162.db2.gz ZTJSDRXWUSPDBH-VIFPVBQESA-N 1 2 283.332 -2.148 20 0 CAADLO CCNC(=O)C[NH+]1CC(CNC(=O)CN2CCOCC2)C1 ZINC001421128465 890487372 /nfs/dbraw/zinc/48/73/72/890487372.db2.gz XKVGQRUXXDUYDB-UHFFFAOYSA-N 1 2 298.387 -1.497 20 0 CAADLO CNC(=O)C[NH+]1CC(CNC(=O)Cc2nnc(C)o2)C1 ZINC001421129193 890487468 /nfs/dbraw/zinc/48/74/68/890487468.db2.gz PHHGCLFSFJOHOU-UHFFFAOYSA-N 1 2 281.316 -1.285 20 0 CAADLO CNC(=O)C[NH+]1CC(CNC(=O)CNC(=O)OC)C1 ZINC001421109640 890487789 /nfs/dbraw/zinc/48/77/89/890487789.db2.gz BCSBXMGIOJSGCI-UHFFFAOYSA-N 1 2 272.305 -1.864 20 0 CAADLO CCNC(=O)C[NH+]1CC(CNC(=O)[C@H](C)NC(N)=O)C1 ZINC001421129262 890487673 /nfs/dbraw/zinc/48/76/73/890487673.db2.gz YAYPCWNNIDOFQC-QMMMGPOBSA-N 1 2 285.348 -1.773 20 0 CAADLO CNC(=O)CCCC(=O)NCC1C[NH+]([C@@H]2CCNC2=O)C1 ZINC001421128133 890487979 /nfs/dbraw/zinc/48/79/79/890487979.db2.gz VGHMXEJJBXIKLC-LLVKDONJSA-N 1 2 296.371 -1.161 20 0 CAADLO C[C@H]1CO[C@H](C(=O)NCC2C[NH+](CC(=O)NC(N)=O)C2)C1 ZINC001421145870 890488117 /nfs/dbraw/zinc/48/81/17/890488117.db2.gz UALUSVQMKHLXII-SCZZXKLOSA-N 1 2 298.343 -1.346 20 0 CAADLO O=C(C[C@@H]1CCC(=O)N1)NCC1C[NH+]([C@H]2CCNC2=O)C1 ZINC001421176232 890489895 /nfs/dbraw/zinc/48/98/95/890489895.db2.gz XKAZAPUASNGUSN-QWRGUYRKSA-N 1 2 294.355 -1.408 20 0 CAADLO CC(C)NC(=O)C[NH+]1CC(CNC(=O)Cc2nc[nH]n2)C1 ZINC001421176257 890490580 /nfs/dbraw/zinc/49/05/80/890490580.db2.gz XYNQHZWQTAWVCV-UHFFFAOYSA-N 1 2 294.359 -1.080 20 0 CAADLO Cn1cnnc1COCC(=O)N[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001421244517 890490669 /nfs/dbraw/zinc/49/06/69/890490669.db2.gz MOKOWUSGKNBREL-VIFPVBQESA-N 1 2 296.331 -1.993 20 0 CAADLO Cn1cnnc1COCC(=O)N[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001421244517 890490677 /nfs/dbraw/zinc/49/06/77/890490677.db2.gz MOKOWUSGKNBREL-VIFPVBQESA-N 1 2 296.331 -1.993 20 0 CAADLO CCNC(=O)CCCC(=O)NCC1C[NH+](CC(N)=O)C1 ZINC001421178816 890492574 /nfs/dbraw/zinc/49/25/74/890492574.db2.gz GJHUMGGZTPIMCI-UHFFFAOYSA-N 1 2 284.360 -1.174 20 0 CAADLO NC(=O)NC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCC(=O)N2)C1 ZINC001421260827 890493862 /nfs/dbraw/zinc/49/38/62/890493862.db2.gz UMRNIEAWIKJTPZ-HTQZYQBOSA-N 1 2 297.315 -2.350 20 0 CAADLO NC(=O)NC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CCC(=O)N2)C1 ZINC001421260827 890493867 /nfs/dbraw/zinc/49/38/67/890493867.db2.gz UMRNIEAWIKJTPZ-HTQZYQBOSA-N 1 2 297.315 -2.350 20 0 CAADLO CCNC(=O)CCCC(=O)N[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001421258446 890495315 /nfs/dbraw/zinc/49/53/15/890495315.db2.gz AHZYNBUOJTWRGM-JTQLQIEISA-N 1 2 284.360 -1.031 20 0 CAADLO CCNC(=O)CCCC(=O)N[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001421258446 890495326 /nfs/dbraw/zinc/49/53/26/890495326.db2.gz AHZYNBUOJTWRGM-JTQLQIEISA-N 1 2 284.360 -1.031 20 0 CAADLO CCN(C(=O)[C@@H](C)NC(C)=O)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001421361062 890497634 /nfs/dbraw/zinc/49/76/34/890497634.db2.gz WHUGRRWSTQIKNJ-MWLCHTKSSA-N 1 2 284.360 -1.081 20 0 CAADLO CCN(C(=O)[C@@H](C)NC(C)=O)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001421361062 890497638 /nfs/dbraw/zinc/49/76/38/890497638.db2.gz WHUGRRWSTQIKNJ-MWLCHTKSSA-N 1 2 284.360 -1.081 20 0 CAADLO COc1cc(C(=O)NC[C@@]2(O)CC[N@H+](CC(N)=O)C2)on1 ZINC001421352225 890500356 /nfs/dbraw/zinc/50/03/56/890500356.db2.gz WPYYWENODWOPSE-LBPRGKRZSA-N 1 2 298.299 -1.665 20 0 CAADLO COc1cc(C(=O)NC[C@@]2(O)CC[N@@H+](CC(N)=O)C2)on1 ZINC001421352225 890500364 /nfs/dbraw/zinc/50/03/64/890500364.db2.gz WPYYWENODWOPSE-LBPRGKRZSA-N 1 2 298.299 -1.665 20 0 CAADLO CC[C@@H](CNC(=O)[C@H]1CCC(=O)N1)[NH2+]Cc1nnn(C)n1 ZINC001421381576 890502061 /nfs/dbraw/zinc/50/20/61/890502061.db2.gz MUTNIUDNLCHANV-DTWKUNHWSA-N 1 2 295.347 -1.527 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(O)(CNC(=O)c2cccn2C)C1 ZINC001421410869 890506587 /nfs/dbraw/zinc/50/65/87/890506587.db2.gz AWWLYSKOCIFMQO-NSHDSACASA-N 1 2 297.355 -1.191 20 0 CAADLO COC[C@H](O)C[NH+]1CC(O)(CNC(=O)c2cnn(C)c2)C1 ZINC001421410080 890506703 /nfs/dbraw/zinc/50/67/03/890506703.db2.gz JTXURRIYTNUNTC-LLVKDONJSA-N 1 2 298.343 -1.796 20 0 CAADLO O=C(CNC(=O)C1CC1)NCC1(O)C[NH+](CCCO)C1 ZINC001421414429 890507096 /nfs/dbraw/zinc/50/70/96/890507096.db2.gz MVTPXYIMUSVKFV-UHFFFAOYSA-N 1 2 285.344 -1.942 20 0 CAADLO CC[C@H](CNC(=O)CNC(=O)OC)[NH2+]Cc1nnn(C)n1 ZINC001421398180 890507157 /nfs/dbraw/zinc/50/71/57/890507157.db2.gz WSCIVTOBHCGWQT-MRVPVSSYSA-N 1 2 299.335 -1.450 20 0 CAADLO COC[C@H](O)C[NH+]1CC(O)(CNC(=O)[C@H](C)COC)C1 ZINC001421415663 890507407 /nfs/dbraw/zinc/50/74/07/890507407.db2.gz CSGSSADFPDSOCQ-GHMZBOCLSA-N 1 2 290.360 -1.561 20 0 CAADLO COC[C@H](O)C[NH+]1CC(O)(CNC(=O)[C@@H](C)COC)C1 ZINC001421415677 890508271 /nfs/dbraw/zinc/50/82/71/890508271.db2.gz CSGSSADFPDSOCQ-WDEREUQCSA-N 1 2 290.360 -1.561 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(O)(CNC(=O)[C@@H](C)COC)C1 ZINC001421415673 890508335 /nfs/dbraw/zinc/50/83/35/890508335.db2.gz CSGSSADFPDSOCQ-QWRGUYRKSA-N 1 2 290.360 -1.561 20 0 CAADLO CO[C@H](C)C[NH+]1CC(O)(CNC(=O)CN2CCCC2=O)C1 ZINC001421411654 890508388 /nfs/dbraw/zinc/50/83/88/890508388.db2.gz UAANLMCWJLUBCB-LLVKDONJSA-N 1 2 299.371 -1.193 20 0 CAADLO C[C@@H](O)C[NH+]1CC(O)(CNC(=O)[C@@H](C)n2cncn2)C1 ZINC001421429362 890509800 /nfs/dbraw/zinc/50/98/00/890509800.db2.gz YWAPECQRSMTUQS-NXEZZACHSA-N 1 2 283.332 -1.617 20 0 CAADLO Cc1c(C(=O)NCC2(O)C[NH+](C[C@H](C)O)C2)nnn1C ZINC001421422688 890510394 /nfs/dbraw/zinc/51/03/94/890510394.db2.gz HNERFRPKXPOOPF-QMMMGPOBSA-N 1 2 283.332 -1.719 20 0 CAADLO O=C(NCC1(O)C[NH+](CCCF)C1)[C@H]1CCC(=O)N1 ZINC001421417546 890510517 /nfs/dbraw/zinc/51/05/17/890510517.db2.gz LLDJTUUWDKUTBD-SECBINFHSA-N 1 2 273.308 -1.213 20 0 CAADLO CO[C@@H](C)C[NH+]1CC(O)(CNC(=O)C2CN(C(C)=O)C2)C1 ZINC001421422340 890511162 /nfs/dbraw/zinc/51/11/62/890511162.db2.gz CXIKINBPBHQQPK-JTQLQIEISA-N 1 2 299.371 -1.338 20 0 CAADLO O=C(Cc1c[nH]c[nH+]1)NCC1(O)CN([C@@H]2CCNC2=O)C1 ZINC001421471800 890512616 /nfs/dbraw/zinc/51/26/16/890512616.db2.gz AHMMFZAIHLUOEG-SNVBAGLBSA-N 1 2 293.327 -1.996 20 0 CAADLO O=C(NCC1(O)C[NH+](CCCO)C1)c1n[nH]cc1F ZINC001421488899 890512686 /nfs/dbraw/zinc/51/26/86/890512686.db2.gz UUNDXWCNQFCOOA-UHFFFAOYSA-N 1 2 272.280 -1.292 20 0 CAADLO CC[NH+]1CC(O)(CNC(=O)Cn2nnnc2C(C)C)C1 ZINC001421479628 890512944 /nfs/dbraw/zinc/51/29/44/890512944.db2.gz VOKYPWPZSUCYPH-UHFFFAOYSA-N 1 2 282.348 -1.021 20 0 CAADLO C[C@@H](C(N)=O)N1CC(O)(CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001421491327 890513372 /nfs/dbraw/zinc/51/33/72/890513372.db2.gz NDQDNNHRRCVZEC-VIFPVBQESA-N 1 2 295.343 -2.001 20 0 CAADLO C[C@@H](O)C[NH+]1CC(O)(CNC(=O)C[C@H]2CCCC(=O)N2)C1 ZINC001421464339 890513883 /nfs/dbraw/zinc/51/38/83/890513883.db2.gz RWWIWNPQWYVMAB-GHMZBOCLSA-N 1 2 299.371 -1.411 20 0 CAADLO COC[C@H](C)[NH+]1CC(O)(CNC(=O)[C@]2(C)CCC(=O)N2)C1 ZINC001421478402 890513942 /nfs/dbraw/zinc/51/39/42/890513942.db2.gz UCEULFDMKCTQTH-GWCFXTLKSA-N 1 2 299.371 -1.147 20 0 CAADLO CO[C@H](C)C[NH+]1CC(O)(CNC(=O)[C@]2(C)CCC(=O)N2)C1 ZINC001421472202 890514017 /nfs/dbraw/zinc/51/40/17/890514017.db2.gz HBJKPJHLUAYASI-MFKMUULPSA-N 1 2 299.371 -1.147 20 0 CAADLO C[C@@]1(C(=O)NCC2(O)C[NH+](CCCO)C2)CCC(=O)NC1 ZINC001421476232 890514763 /nfs/dbraw/zinc/51/47/63/890514763.db2.gz GJTBQKSKKRVWMI-CYBMUJFWSA-N 1 2 299.371 -1.552 20 0 CAADLO CO[C@H](C)C[NH+]1CC(O)(CNC(=O)c2c[nH]c(=O)cn2)C1 ZINC001421474201 890515104 /nfs/dbraw/zinc/51/51/04/890515104.db2.gz BEDFRAZITDPIQV-SECBINFHSA-N 1 2 296.327 -1.419 20 0 CAADLO C[C@@H](O)C[NH+]1CC(O)(CNC(=O)c2cc(C(N)=O)c[nH]2)C1 ZINC001421493761 890517479 /nfs/dbraw/zinc/51/74/79/890517479.db2.gz GDNJVZVBGUGPTN-MRVPVSSYSA-N 1 2 296.327 -1.729 20 0 CAADLO Cn1c[nH+]cc1CCC(=O)NCC1(O)CN(CCO)C1 ZINC001421492346 890518535 /nfs/dbraw/zinc/51/85/35/890518535.db2.gz DEHMLJMUYHVTMJ-UHFFFAOYSA-N 1 2 282.344 -1.492 20 0 CAADLO C[S@](=O)CC[NH+]1CCN(CCC(=O)NC(N)=O)CC1 ZINC001421577212 890519573 /nfs/dbraw/zinc/51/95/73/890519573.db2.gz DVNHHPLNGJYSFK-IBGZPJMESA-N 1 2 290.389 -1.433 20 0 CAADLO C[C@H](NC(N)=O)C(=O)N[C@@]1(CO)CCC[N@H+](CCF)C1 ZINC001421591526 890519789 /nfs/dbraw/zinc/51/97/89/890519789.db2.gz GHMCCBMHVYUSTB-CABZTGNLSA-N 1 2 290.339 -1.044 20 0 CAADLO C[C@H](NC(N)=O)C(=O)N[C@@]1(CO)CCC[N@@H+](CCF)C1 ZINC001421591526 890519793 /nfs/dbraw/zinc/51/97/93/890519793.db2.gz GHMCCBMHVYUSTB-CABZTGNLSA-N 1 2 290.339 -1.044 20 0 CAADLO C[S@@](=O)CC[NH+]1CCN(CCC(=O)NC(N)=O)CC1 ZINC001421577217 890522294 /nfs/dbraw/zinc/52/22/94/890522294.db2.gz DVNHHPLNGJYSFK-LJQANCHMSA-N 1 2 290.389 -1.433 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@](CO)(NC(=O)Cc2ccc[nH]2)C1 ZINC001421617387 890522584 /nfs/dbraw/zinc/52/25/84/890522584.db2.gz KYELLGPZAMMTQS-AWEZNQCLSA-N 1 2 294.355 -1.014 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@](CO)(NC(=O)Cc2ccc[nH]2)C1 ZINC001421617387 890522590 /nfs/dbraw/zinc/52/25/90/890522590.db2.gz KYELLGPZAMMTQS-AWEZNQCLSA-N 1 2 294.355 -1.014 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@](CO)(NC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001421617456 890522601 /nfs/dbraw/zinc/52/26/01/890522601.db2.gz MDCVZKUFVFITBY-SVBLFDIKSA-N 1 2 297.355 -1.693 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@](CO)(NC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001421617456 890522606 /nfs/dbraw/zinc/52/26/06/890522606.db2.gz MDCVZKUFVFITBY-SVBLFDIKSA-N 1 2 297.355 -1.693 20 0 CAADLO CC[N@@H+]1CCOC[C@@H]1CNC(=O)CN1CCC(=O)NC1=O ZINC001421702464 890527508 /nfs/dbraw/zinc/52/75/08/890527508.db2.gz NLZRQSOTAGWMED-JTQLQIEISA-N 1 2 298.343 -1.235 20 0 CAADLO CC[N@H+]1CCOC[C@@H]1CNC(=O)CN1CCC(=O)NC1=O ZINC001421702464 890527514 /nfs/dbraw/zinc/52/75/14/890527514.db2.gz NLZRQSOTAGWMED-JTQLQIEISA-N 1 2 298.343 -1.235 20 0 CAADLO CC[N@@H+]1CCOC[C@H]1CNC(=O)CN(C)S(C)(=O)=O ZINC001421714844 890528639 /nfs/dbraw/zinc/52/86/39/890528639.db2.gz XMGCTNRGFYNWJF-SNVBAGLBSA-N 1 2 293.389 -1.285 20 0 CAADLO CC[N@H+]1CCOC[C@H]1CNC(=O)CN(C)S(C)(=O)=O ZINC001421714844 890528648 /nfs/dbraw/zinc/52/86/48/890528648.db2.gz XMGCTNRGFYNWJF-SNVBAGLBSA-N 1 2 293.389 -1.285 20 0 CAADLO CC[N@@H+]1CCOC[C@@H]1CNC(=O)Cn1ccc(=O)[nH]c1=O ZINC001421713000 890528941 /nfs/dbraw/zinc/52/89/41/890528941.db2.gz UIUYPPUBTJWBJT-JTQLQIEISA-N 1 2 296.327 -1.214 20 0 CAADLO CC[N@H+]1CCOC[C@@H]1CNC(=O)Cn1ccc(=O)[nH]c1=O ZINC001421713000 890528945 /nfs/dbraw/zinc/52/89/45/890528945.db2.gz UIUYPPUBTJWBJT-JTQLQIEISA-N 1 2 296.327 -1.214 20 0 CAADLO NC(=O)CN1CCOC[C@H]1CNC(=O)Cc1c[nH]c[nH+]1 ZINC001421701990 890529284 /nfs/dbraw/zinc/52/92/84/890529284.db2.gz OWUVOURTCNWOJA-SNVBAGLBSA-N 1 2 281.316 -1.746 20 0 CAADLO NC(=O)CN1CCOC[C@@H]1CNC(=O)Cc1c[nH]c[nH+]1 ZINC001421701987 890529385 /nfs/dbraw/zinc/52/93/85/890529385.db2.gz OWUVOURTCNWOJA-JTQLQIEISA-N 1 2 281.316 -1.746 20 0 CAADLO CNC(=O)CCCC(=O)NC[C@H]1C[N@H+](CCO)CCO1 ZINC001421775837 890531250 /nfs/dbraw/zinc/53/12/50/890531250.db2.gz HMNDUZXFPICSBG-NSHDSACASA-N 1 2 287.360 -1.288 20 0 CAADLO CNC(=O)CCCC(=O)NC[C@H]1C[N@@H+](CCO)CCO1 ZINC001421775837 890531260 /nfs/dbraw/zinc/53/12/60/890531260.db2.gz HMNDUZXFPICSBG-NSHDSACASA-N 1 2 287.360 -1.288 20 0 CAADLO COCC(=O)NC[C@@H]1C[N@H+](C[C@@H](O)COC)CCO1 ZINC001421788260 890533064 /nfs/dbraw/zinc/53/30/64/890533064.db2.gz OFGWWIVLGUOZNQ-GHMZBOCLSA-N 1 2 276.333 -1.543 20 0 CAADLO COCC(=O)NC[C@@H]1C[N@@H+](C[C@@H](O)COC)CCO1 ZINC001421788260 890533075 /nfs/dbraw/zinc/53/30/75/890533075.db2.gz OFGWWIVLGUOZNQ-GHMZBOCLSA-N 1 2 276.333 -1.543 20 0 CAADLO C[C@@H](CC(N)=O)C(=O)N1CCC2(C[NH+](CC(N)=O)C2)CC1 ZINC001421852942 890536775 /nfs/dbraw/zinc/53/67/75/890536775.db2.gz QLTSIDFSJUTTDQ-JTQLQIEISA-N 1 2 296.371 -1.092 20 0 CAADLO NC(=O)CN1CCN(CC[N@H+]2C[C@H]3CC[C@@H](C2)O3)CC1=O ZINC001421904890 890540990 /nfs/dbraw/zinc/54/09/90/890540990.db2.gz KDVPZAUBNGDRAE-TXEJJXNPSA-N 1 2 296.371 -1.521 20 0 CAADLO NC(=O)CN1CCN(CC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)CC1=O ZINC001421904890 890540997 /nfs/dbraw/zinc/54/09/97/890540997.db2.gz KDVPZAUBNGDRAE-TXEJJXNPSA-N 1 2 296.371 -1.521 20 0 CAADLO COCC(=O)N1CCC[C@@](CO)([NH2+]Cc2nnnn2C)C1 ZINC001421958408 890542092 /nfs/dbraw/zinc/54/20/92/890542092.db2.gz PBTVSBMMICRXML-GFCCVEGCSA-N 1 2 298.347 -1.700 20 0 CAADLO CNC(=O)[C@@H]1CC[N@H+](Cc2cc(=O)n3[nH]c(N)nc3n2)C1 ZINC001421946381 890543269 /nfs/dbraw/zinc/54/32/69/890543269.db2.gz FQBFDOTYAWEJFH-SSDOTTSWSA-N 1 2 291.315 -1.432 20 0 CAADLO CNC(=O)[C@@H]1CC[N@@H+](Cc2cc(=O)n3[nH]c(N)nc3n2)C1 ZINC001421946381 890543278 /nfs/dbraw/zinc/54/32/78/890543278.db2.gz FQBFDOTYAWEJFH-SSDOTTSWSA-N 1 2 291.315 -1.432 20 0 CAADLO O=C(CNC(=O)C1CC1)N[C@@H]1COC2(C[NH+](CCO)C2)C1 ZINC001421948266 890544594 /nfs/dbraw/zinc/54/45/94/890544594.db2.gz RFVCPPPNZCSNHH-NSHDSACASA-N 1 2 297.355 -1.536 20 0 CAADLO NC(=O)[C@H]1C[NH+](Cc2nnc3n2CCOC3)C[C@@H]1C(N)=O ZINC001422044375 890546540 /nfs/dbraw/zinc/54/65/40/890546540.db2.gz DCOMHLVGJLKCMY-YUMQZZPRSA-N 1 2 294.315 -2.173 20 0 CAADLO NC(=O)C1([NH2+]Cc2nnc3n2CCOC3)CCOCC1 ZINC001422015196 890546714 /nfs/dbraw/zinc/54/67/14/890546714.db2.gz YZZUPLIRWRHQTJ-UHFFFAOYSA-N 1 2 281.316 -1.068 20 0 CAADLO NC(=O)[C@H]1C[N@H+](Cc2nnc3n2CCOC3)C[C@H]1C(N)=O ZINC001422044368 890547698 /nfs/dbraw/zinc/54/76/98/890547698.db2.gz DCOMHLVGJLKCMY-OCAPTIKFSA-N 1 2 294.315 -2.173 20 0 CAADLO NC(=O)[C@H]1C[N@@H+](Cc2nnc3n2CCOC3)C[C@H]1C(N)=O ZINC001422044368 890547719 /nfs/dbraw/zinc/54/77/19/890547719.db2.gz DCOMHLVGJLKCMY-OCAPTIKFSA-N 1 2 294.315 -2.173 20 0 CAADLO COC(=O)[C@@H]1OCC[C@@H]1[NH2+]Cc1nnc2c(=O)[nH]ccn12 ZINC001422012914 890548316 /nfs/dbraw/zinc/54/83/16/890548316.db2.gz PSUJJRKYUQNNPA-IONNQARKSA-N 1 2 293.283 -1.162 20 0 CAADLO CC(C)[C@H](CNC(=O)c1cn[nH]n1)[NH2+]Cc1nnnn1C ZINC001422098702 890550946 /nfs/dbraw/zinc/55/09/46/890550946.db2.gz JTMZLWOJSNOEAW-QMMMGPOBSA-N 1 2 293.335 -1.128 20 0 CAADLO CC(C)[C@H](CNC(=O)c1cnn[nH]1)[NH2+]Cc1nnnn1C ZINC001422098702 890550959 /nfs/dbraw/zinc/55/09/59/890550959.db2.gz JTMZLWOJSNOEAW-QMMMGPOBSA-N 1 2 293.335 -1.128 20 0 CAADLO CNC(=O)Cc1noc(C[N@H+]2C[C@@H]3C(=O)OC[C@@H]3C2)n1 ZINC001422143654 890551150 /nfs/dbraw/zinc/55/11/50/890551150.db2.gz PQBSWVQLBJPWGZ-YUMQZZPRSA-N 1 2 280.284 -1.037 20 0 CAADLO CNC(=O)Cc1noc(C[N@@H+]2C[C@@H]3C(=O)OC[C@@H]3C2)n1 ZINC001422143654 890551158 /nfs/dbraw/zinc/55/11/58/890551158.db2.gz PQBSWVQLBJPWGZ-YUMQZZPRSA-N 1 2 280.284 -1.037 20 0 CAADLO NC(=O)C[NH+]1CCC(CO)(NC(=O)c2cccnn2)CC1 ZINC001422196391 890553119 /nfs/dbraw/zinc/55/31/19/890553119.db2.gz ZAORNMHWHUKAQF-UHFFFAOYSA-N 1 2 293.327 -1.481 20 0 CAADLO CN(CC[N@H+](C)Cc1cnnn1C)C(=O)Cn1ncnn1 ZINC001422163166 890553944 /nfs/dbraw/zinc/55/39/44/890553944.db2.gz SKMQTLQWNYJXBM-UHFFFAOYSA-N 1 2 293.335 -1.608 20 0 CAADLO CN(CC[N@@H+](C)Cc1cnnn1C)C(=O)Cn1ncnn1 ZINC001422163166 890553952 /nfs/dbraw/zinc/55/39/52/890553952.db2.gz SKMQTLQWNYJXBM-UHFFFAOYSA-N 1 2 293.335 -1.608 20 0 CAADLO NC(=O)C[NH+]1CCC(CO)(NC(=O)c2cnsn2)CC1 ZINC001422199358 890554019 /nfs/dbraw/zinc/55/40/19/890554019.db2.gz RHZHGOKJVMPJEJ-UHFFFAOYSA-N 1 2 299.356 -1.420 20 0 CAADLO Cn1nncc1C(=O)NC1(CO)CC[NH+](CC(N)=O)CC1 ZINC001422195557 890554081 /nfs/dbraw/zinc/55/40/81/890554081.db2.gz JWORCDUOAKMZPQ-UHFFFAOYSA-N 1 2 296.331 -2.143 20 0 CAADLO CNC(=O)C[N@H+](C)CCN(C)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001422201615 890554845 /nfs/dbraw/zinc/55/48/45/890554845.db2.gz SJSHUJRQULJUBE-BDAKNGLRSA-N 1 2 270.333 -1.756 20 0 CAADLO CNC(=O)C[N@@H+](C)CCN(C)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001422201615 890554864 /nfs/dbraw/zinc/55/48/64/890554864.db2.gz SJSHUJRQULJUBE-BDAKNGLRSA-N 1 2 270.333 -1.756 20 0 CAADLO CS(=O)(=O)CC[N@@H+]1CC[C@H](CNS(C)(=O)=O)C1 ZINC001422210850 890556582 /nfs/dbraw/zinc/55/65/82/890556582.db2.gz BPJNBMUTNNNZEN-SECBINFHSA-N 1 2 284.403 -1.098 20 0 CAADLO CS(=O)(=O)CC[N@H+]1CC[C@H](CNS(C)(=O)=O)C1 ZINC001422210850 890556587 /nfs/dbraw/zinc/55/65/87/890556587.db2.gz BPJNBMUTNNNZEN-SECBINFHSA-N 1 2 284.403 -1.098 20 0 CAADLO CC[C@@H]([NH2+]C[C@@H](O)CNC(=O)c1[nH]nc(C)c1C)C(N)=O ZINC001422262124 890557231 /nfs/dbraw/zinc/55/72/31/890557231.db2.gz DYHYMQAITLAIAC-NXEZZACHSA-N 1 2 297.359 -1.029 20 0 CAADLO C[N@@H+](Cc1nnc2n1CCNC2=O)C[C@H]1CNC(=O)C1 ZINC001422234765 890557308 /nfs/dbraw/zinc/55/73/08/890557308.db2.gz MMUCEMIERQWNRC-MRVPVSSYSA-N 1 2 278.316 -1.411 20 0 CAADLO C[N@H+](Cc1nnc2n1CCNC2=O)C[C@H]1CNC(=O)C1 ZINC001422234765 890557318 /nfs/dbraw/zinc/55/73/18/890557318.db2.gz MMUCEMIERQWNRC-MRVPVSSYSA-N 1 2 278.316 -1.411 20 0 CAADLO CS(=O)(=O)CC[N@@H+]1CC[C@@H](CNS(C)(=O)=O)C1 ZINC001422210854 890557950 /nfs/dbraw/zinc/55/79/50/890557950.db2.gz BPJNBMUTNNNZEN-VIFPVBQESA-N 1 2 284.403 -1.098 20 0 CAADLO CS(=O)(=O)CC[N@H+]1CC[C@@H](CNS(C)(=O)=O)C1 ZINC001422210854 890557959 /nfs/dbraw/zinc/55/79/59/890557959.db2.gz BPJNBMUTNNNZEN-VIFPVBQESA-N 1 2 284.403 -1.098 20 0 CAADLO CN(CC[N@H+](C)CC(N)=O)C(=O)[C@@H]1CCCCN1C(N)=O ZINC001422236297 890558187 /nfs/dbraw/zinc/55/81/87/890558187.db2.gz WMPSXBOFQCKKCN-JTQLQIEISA-N 1 2 299.375 -1.205 20 0 CAADLO CN(CC[N@@H+](C)CC(N)=O)C(=O)[C@@H]1CCCCN1C(N)=O ZINC001422236297 890558193 /nfs/dbraw/zinc/55/81/93/890558193.db2.gz WMPSXBOFQCKKCN-JTQLQIEISA-N 1 2 299.375 -1.205 20 0 CAADLO CC[C@H]([NH2+]C[C@H](O)CNC(=O)c1[nH]nc(C)c1C)C(N)=O ZINC001422262126 890558804 /nfs/dbraw/zinc/55/88/04/890558804.db2.gz DYHYMQAITLAIAC-UWVGGRQHSA-N 1 2 297.359 -1.029 20 0 CAADLO CNC(=O)C[N@H+](C)CCN(C)C(=O)Cn1ccccc1=O ZINC001422223370 890559063 /nfs/dbraw/zinc/55/90/63/890559063.db2.gz IBNTZHYZYOXXFS-UHFFFAOYSA-N 1 2 294.355 -1.016 20 0 CAADLO CNC(=O)C[N@@H+](C)CCN(C)C(=O)Cn1ccccc1=O ZINC001422223370 890559074 /nfs/dbraw/zinc/55/90/74/890559074.db2.gz IBNTZHYZYOXXFS-UHFFFAOYSA-N 1 2 294.355 -1.016 20 0 CAADLO Cc1noc(C[NH2+]C[C@H](O)CNC(=O)c2cn(C)cn2)n1 ZINC001422277351 890566129 /nfs/dbraw/zinc/56/61/29/890566129.db2.gz AASDCINCBNWZOT-VIFPVBQESA-N 1 2 294.315 -1.008 20 0 CAADLO CC(=O)NCC(=O)NC[C@@H](O)C[NH2+]Cc1nc(C)no1 ZINC001422283561 890566216 /nfs/dbraw/zinc/56/62/16/890566216.db2.gz MTAVRMDAFAIMKB-VIFPVBQESA-N 1 2 285.304 -1.919 20 0 CAADLO Cc1noc(C[NH2+]C[C@@H](O)CNC(=O)[C@H]2CCOC2)n1 ZINC001422286962 890569850 /nfs/dbraw/zinc/56/98/50/890569850.db2.gz LWNBLACHSXXTMN-VHSXEESVSA-N 1 2 284.316 -1.019 20 0 CAADLO Cc1nnc(C[NH2+]C[C@H](O)CNC(=O)c2ncn(C)n2)o1 ZINC001422311760 890571716 /nfs/dbraw/zinc/57/17/16/890571716.db2.gz QQWIUMNLGVUANR-QMMMGPOBSA-N 1 2 295.303 -1.613 20 0 CAADLO Cc1nnc(C[NH2+]C[C@@H](O)CNC(=O)c2ncn(C)n2)o1 ZINC001422311754 890572450 /nfs/dbraw/zinc/57/24/50/890572450.db2.gz QQWIUMNLGVUANR-MRVPVSSYSA-N 1 2 295.303 -1.613 20 0 CAADLO Cc1cc(C[NH2+]C[C@@H](O)CNC(=O)c2cnn[nH]2)nn1C ZINC001422335516 890576067 /nfs/dbraw/zinc/57/60/67/890576067.db2.gz XWUCTTGWMVPNMP-SNVBAGLBSA-N 1 2 293.331 -1.273 20 0 CAADLO Cc1cc(C[NH2+]C[C@H](O)CNC(=O)c2cnn[nH]2)nn1C ZINC001422335512 890577496 /nfs/dbraw/zinc/57/74/96/890577496.db2.gz XWUCTTGWMVPNMP-JTQLQIEISA-N 1 2 293.331 -1.273 20 0 CAADLO O=C(NC[C@H](O)C[NH2+]Cc1csnn1)[C@H]1[C@@H]2COC[C@@H]21 ZINC001422367008 890582606 /nfs/dbraw/zinc/58/26/06/890582606.db2.gz XSIOBEBTQFQRAP-ZNSHCXBVSA-N 1 2 298.368 -1.003 20 0 CAADLO O=C(Cc1nnc[nH]1)NC[C@H](O)C[NH2+]Cc1cnns1 ZINC001422395355 890587107 /nfs/dbraw/zinc/58/71/07/890587107.db2.gz GRHJKWVVZUGDKC-SSDOTTSWSA-N 1 2 297.344 -1.534 20 0 CAADLO C[C@@H](NC(=O)c1nnc[nH]1)[C@H](C)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001422384679 890588643 /nfs/dbraw/zinc/58/86/43/890588643.db2.gz VGDIIGGYJHBMMD-NKWVEPMBSA-N 1 2 294.319 -1.477 20 0 CAADLO C[C@@H](NC(=O)c1ncn[nH]1)[C@H](C)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001422384679 890588647 /nfs/dbraw/zinc/58/86/47/890588647.db2.gz VGDIIGGYJHBMMD-NKWVEPMBSA-N 1 2 294.319 -1.477 20 0 CAADLO O=C(Cn1cncn1)NC[C@@H](O)C[NH2+]Cc1csnn1 ZINC001422415081 890590426 /nfs/dbraw/zinc/59/04/26/890590426.db2.gz VPDKJCQSKVXUID-VIFPVBQESA-N 1 2 297.344 -1.604 20 0 CAADLO Cc1noc(C[NH2+]C[C@H](O)CNC(=O)[C@@H]2CCC(=O)N2)n1 ZINC001422409711 890590740 /nfs/dbraw/zinc/59/07/40/890590740.db2.gz RKDNVEUFNPOPGO-IUCAKERBSA-N 1 2 297.315 -1.777 20 0 CAADLO C[C@H](C[NH2+]Cc1csnn1)NC(=O)[C@H]1CNC(=O)N1 ZINC001422546580 890599597 /nfs/dbraw/zinc/59/95/97/890599597.db2.gz AJMYEKGYAGRQFY-HTRCEHHLSA-N 1 2 284.345 -1.186 20 0 CAADLO C[C@H](C[NH2+]Cc1nc(=O)n(C)[nH]1)NC(=O)Cc1c[nH]cn1 ZINC001422567890 890601082 /nfs/dbraw/zinc/60/10/82/890601082.db2.gz PBUKIFDGWKKMFC-MRVPVSSYSA-N 1 2 293.331 -1.332 20 0 CAADLO COCC[NH+]1CC(CCO)(NC(=O)[C@H]2CCNC(=O)C2)C1 ZINC001422621268 890602804 /nfs/dbraw/zinc/60/28/04/890602804.db2.gz BGTQTPDVDPQCEF-NSHDSACASA-N 1 2 299.371 -1.288 20 0 CAADLO CO[C@@H](C)C[NH+]1CC(CCO)(NC(=O)[C@H]2CCC(=O)N2)C1 ZINC001422606324 890603959 /nfs/dbraw/zinc/60/39/59/890603959.db2.gz RBGFFABRPFLJOH-WDEREUQCSA-N 1 2 299.371 -1.147 20 0 CAADLO O=C(NC1(CCO)C[NH+](CCCO)C1)[C@H]1[C@@H]2COC[C@@H]21 ZINC001422638631 890605756 /nfs/dbraw/zinc/60/57/56/890605756.db2.gz DLBUIEDMZTXPNQ-GDNZZTSVSA-N 1 2 284.356 -1.186 20 0 CAADLO C[C@H](O)C[NH+]1CC(CCO)(NC(=O)Cc2cncn2C)C1 ZINC001422649240 890605789 /nfs/dbraw/zinc/60/57/89/890605789.db2.gz KJIHPBPLPBVSPU-NSHDSACASA-N 1 2 296.371 -1.104 20 0 CAADLO CCC(=O)N[C@H](C)C(=O)NC1(CCO)C[NH+](CCO)C1 ZINC001422636119 890608005 /nfs/dbraw/zinc/60/80/05/890608005.db2.gz SWKBDSICKRSJCG-SNVBAGLBSA-N 1 2 287.360 -1.554 20 0 CAADLO CCNC(=O)C[NH+]1CC([C@H](C)NC(=O)CCNC(N)=O)C1 ZINC001422753908 890612344 /nfs/dbraw/zinc/61/23/44/890612344.db2.gz QCNSBPLTCPGACA-VIFPVBQESA-N 1 2 299.375 -1.383 20 0 CAADLO C[C@H](C[NH2+]Cc1cn(CC(N)=O)nn1)S(C)(=O)=O ZINC001422739776 890612587 /nfs/dbraw/zinc/61/25/87/890612587.db2.gz PVFXNNBZQVNDAP-SSDOTTSWSA-N 1 2 275.334 -1.714 20 0 CAADLO C[C@H](C(=O)N[C@@H](C)C1C[NH+](CCO)C1)S(C)(=O)=O ZINC001422744118 890613266 /nfs/dbraw/zinc/61/32/66/890613266.db2.gz VGOKDBVAMDXQCD-DTWKUNHWSA-N 1 2 278.374 -1.152 20 0 CAADLO C[C@H](NC(=O)[C@H](C)S(C)(=O)=O)C1C[NH+](CCO)C1 ZINC001422744119 890614447 /nfs/dbraw/zinc/61/44/47/890614447.db2.gz VGOKDBVAMDXQCD-IUCAKERBSA-N 1 2 278.374 -1.152 20 0 CAADLO CC(=O)N(C)CC(=O)NC[C@H]1CC[N@@H+]1[C@@H]1CCN(C)C1=O ZINC001423052891 890621937 /nfs/dbraw/zinc/62/19/37/890621937.db2.gz ARSRPYBYZSFDLU-VXGBXAGGSA-N 1 2 296.371 -1.114 20 0 CAADLO CC(=O)N(C)CC(=O)NC[C@H]1CC[N@H+]1[C@@H]1CCN(C)C1=O ZINC001423052891 890621946 /nfs/dbraw/zinc/62/19/46/890621946.db2.gz ARSRPYBYZSFDLU-VXGBXAGGSA-N 1 2 296.371 -1.114 20 0 CAADLO CC(=O)N[C@@H](C)C(=O)NC[C@H]1CC[N@@H+]1CC(=O)N(C)C ZINC001423050797 890622782 /nfs/dbraw/zinc/62/27/82/890622782.db2.gz ROEHOUSGJNNAFT-GXSJLCMTSA-N 1 2 284.360 -1.210 20 0 CAADLO CC(=O)N[C@@H](C)C(=O)NC[C@H]1CC[N@H+]1CC(=O)N(C)C ZINC001423050797 890622787 /nfs/dbraw/zinc/62/27/87/890622787.db2.gz ROEHOUSGJNNAFT-GXSJLCMTSA-N 1 2 284.360 -1.210 20 0 CAADLO CC(=O)NCC(=O)NC[C@@H]1CC[N@H+]1[C@@H](C)C(=O)NC1CC1 ZINC001423052010 890624267 /nfs/dbraw/zinc/62/42/67/890624267.db2.gz UDSNTTQWCALMAV-CABZTGNLSA-N 1 2 296.371 -1.020 20 0 CAADLO CC(=O)NCC(=O)NC[C@@H]1CC[N@@H+]1[C@@H](C)C(=O)NC1CC1 ZINC001423052010 890624270 /nfs/dbraw/zinc/62/42/70/890624270.db2.gz UDSNTTQWCALMAV-CABZTGNLSA-N 1 2 296.371 -1.020 20 0 CAADLO Cc1noc(C[NH2+][C@H](C)CN(C)C(=O)[C@@H]2CNC(=O)N2)n1 ZINC001423103289 890625866 /nfs/dbraw/zinc/62/58/66/890625866.db2.gz DPHCJWZKLIEQHS-APPZFPTMSA-N 1 2 296.331 -1.004 20 0 CAADLO Cc1noc(C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]2CNC(=O)N2)n1 ZINC001423103298 890625985 /nfs/dbraw/zinc/62/59/85/890625985.db2.gz DPHCJWZKLIEQHS-CBAPKCEASA-N 1 2 296.331 -1.004 20 0 CAADLO Cc1noc(C[NH2+][C@@H](C)CN(C)C(=O)[C@H]2CNC(=O)N2)n1 ZINC001423103302 890626357 /nfs/dbraw/zinc/62/63/57/890626357.db2.gz DPHCJWZKLIEQHS-IONNQARKSA-N 1 2 296.331 -1.004 20 0 CAADLO CNC(=O)NCC(=O)NC[C@H]1CC[N@@H+]1[C@@H]1CCNC1=O ZINC001423093551 890627072 /nfs/dbraw/zinc/62/70/72/890627072.db2.gz OCKNGBFRAYRMMX-RKDXNWHRSA-N 1 2 283.332 -2.006 20 0 CAADLO CNC(=O)NCC(=O)NC[C@H]1CC[N@H+]1[C@@H]1CCNC1=O ZINC001423093551 890627079 /nfs/dbraw/zinc/62/70/79/890627079.db2.gz OCKNGBFRAYRMMX-RKDXNWHRSA-N 1 2 283.332 -2.006 20 0 CAADLO C[C@@H](C(=O)N(C)C)[N@@H+]1CC[C@@H]1CNC(=O)Cn1cnnn1 ZINC001423077806 890627436 /nfs/dbraw/zinc/62/74/36/890627436.db2.gz KDWJEAHMDYIXFC-VHSXEESVSA-N 1 2 295.347 -1.660 20 0 CAADLO C[C@@H](C(=O)N(C)C)[N@H+]1CC[C@@H]1CNC(=O)Cn1cnnn1 ZINC001423077806 890627447 /nfs/dbraw/zinc/62/74/47/890627447.db2.gz KDWJEAHMDYIXFC-VHSXEESVSA-N 1 2 295.347 -1.660 20 0 CAADLO O=C(Cn1cncn1)NC[C@@H]1CC[N@@H+]1[C@H]1CCCNC1=O ZINC001423156219 890628554 /nfs/dbraw/zinc/62/85/54/890628554.db2.gz DJHAWUQVTGSVKC-QWRGUYRKSA-N 1 2 292.343 -1.253 20 0 CAADLO O=C(Cn1cncn1)NC[C@@H]1CC[N@H+]1[C@H]1CCCNC1=O ZINC001423156219 890628555 /nfs/dbraw/zinc/62/85/55/890628555.db2.gz DJHAWUQVTGSVKC-QWRGUYRKSA-N 1 2 292.343 -1.253 20 0 CAADLO NC(=O)Cn1cc(C[N@@H+]2CC[C@@H](n3cncn3)C2)nn1 ZINC001423141449 890629814 /nfs/dbraw/zinc/62/98/14/890629814.db2.gz LWWFNNGGBXNVER-SNVBAGLBSA-N 1 2 276.304 -1.198 20 0 CAADLO NC(=O)Cn1cc(C[N@H+]2CC[C@@H](n3cncn3)C2)nn1 ZINC001423141449 890629823 /nfs/dbraw/zinc/62/98/23/890629823.db2.gz LWWFNNGGBXNVER-SNVBAGLBSA-N 1 2 276.304 -1.198 20 0 CAADLO NC(=O)Cn1cc(C[N@@H+]2CC[C@H](n3cncn3)C2)nn1 ZINC001423141445 890630513 /nfs/dbraw/zinc/63/05/13/890630513.db2.gz LWWFNNGGBXNVER-JTQLQIEISA-N 1 2 276.304 -1.198 20 0 CAADLO NC(=O)Cn1cc(C[N@H+]2CC[C@H](n3cncn3)C2)nn1 ZINC001423141445 890630518 /nfs/dbraw/zinc/63/05/18/890630518.db2.gz LWWFNNGGBXNVER-JTQLQIEISA-N 1 2 276.304 -1.198 20 0 CAADLO CN(C)S(=O)(=O)NCC(=O)NC[C@H]1CC[N@@H+]1CCF ZINC001423121468 890630531 /nfs/dbraw/zinc/63/05/31/890630531.db2.gz TWWWXUJMHSPVEU-SECBINFHSA-N 1 2 296.368 -1.458 20 0 CAADLO CN(C)S(=O)(=O)NCC(=O)NC[C@H]1CC[N@H+]1CCF ZINC001423121468 890630537 /nfs/dbraw/zinc/63/05/37/890630537.db2.gz TWWWXUJMHSPVEU-SECBINFHSA-N 1 2 296.368 -1.458 20 0 CAADLO CC(C)CC(=O)NC[C@@H](CO)[NH2+]Cc1nnnn1C ZINC001423179694 890633393 /nfs/dbraw/zinc/63/33/93/890633393.db2.gz RUFIJLHAAQBFPA-VIFPVBQESA-N 1 2 270.337 -1.177 20 0 CAADLO CCC(=O)NCC(=O)NC[C@H](CO)[NH2+]Cc1ccon1 ZINC001423188718 890634887 /nfs/dbraw/zinc/63/48/87/890634887.db2.gz HOFYNCKSMLMBIG-SNVBAGLBSA-N 1 2 284.316 -1.233 20 0 CAADLO COCCC(=O)NC[C@H](CO)[NH2+]Cc1nnnn1C ZINC001423184363 890634940 /nfs/dbraw/zinc/63/49/40/890634940.db2.gz LGIKIPGLUKBBIU-MRVPVSSYSA-N 1 2 272.309 -2.187 20 0 CAADLO Cc1ncc(C(=O)NC[C@H](CO)[NH2+]Cc2cnn(C)n2)[nH]1 ZINC001423188738 890635145 /nfs/dbraw/zinc/63/51/45/890635145.db2.gz HQWMJEFZUNMHFJ-SNVBAGLBSA-N 1 2 293.331 -1.273 20 0 CAADLO CC(=O)NC[C@@H](CO)[NH2+]Cc1nnnn1C1CCOCC1 ZINC001423185034 890635277 /nfs/dbraw/zinc/63/52/77/890635277.db2.gz NIZHFCFSUSZGNV-JTQLQIEISA-N 1 2 298.347 -1.389 20 0 CAADLO COCC(=O)NC[C@@H](CO)[NH2+]Cc1nnnn1C1CC1 ZINC001423188877 890635574 /nfs/dbraw/zinc/63/55/74/890635574.db2.gz WLNPQELCOQZCAW-QMMMGPOBSA-N 1 2 284.320 -1.779 20 0 CAADLO NC(=O)CCCC(=O)NC[C@H]1CC[N@@H+]1[C@@H]1CCNC1=O ZINC001423182694 890635800 /nfs/dbraw/zinc/63/58/00/890635800.db2.gz OJHJXAQNLQYEAZ-NXEZZACHSA-N 1 2 282.344 -1.279 20 0 CAADLO NC(=O)CCCC(=O)NC[C@H]1CC[N@H+]1[C@@H]1CCNC1=O ZINC001423182694 890635808 /nfs/dbraw/zinc/63/58/08/890635808.db2.gz OJHJXAQNLQYEAZ-NXEZZACHSA-N 1 2 282.344 -1.279 20 0 CAADLO NC(=O)CCCC(=O)NC[C@@H]1CC[N@@H+]1[C@H]1CCNC1=O ZINC001423182700 890635859 /nfs/dbraw/zinc/63/58/59/890635859.db2.gz OJHJXAQNLQYEAZ-UWVGGRQHSA-N 1 2 282.344 -1.279 20 0 CAADLO NC(=O)CCCC(=O)NC[C@@H]1CC[N@H+]1[C@H]1CCNC1=O ZINC001423182700 890635872 /nfs/dbraw/zinc/63/58/72/890635872.db2.gz OJHJXAQNLQYEAZ-UWVGGRQHSA-N 1 2 282.344 -1.279 20 0 CAADLO C[C@@H]([NH2+][C@H](CO)CNC(=O)c1cn[nH]c1)c1nnnn1C ZINC001423187416 890636214 /nfs/dbraw/zinc/63/62/14/890636214.db2.gz IDPKCWGPZJCGHB-APPZFPTMSA-N 1 2 294.319 -1.625 20 0 CAADLO Cc1cc(C(=O)NC[C@H](CO)[NH2+]Cc2nncn2C)no1 ZINC001423187085 890636626 /nfs/dbraw/zinc/63/66/26/890636626.db2.gz AGRVPJZEVACIBK-SECBINFHSA-N 1 2 294.315 -1.008 20 0 CAADLO COCC(=O)NC[C@H](CO)[NH2+]Cc1nnnn1C1CC1 ZINC001423188856 890637000 /nfs/dbraw/zinc/63/70/00/890637000.db2.gz WLNPQELCOQZCAW-MRVPVSSYSA-N 1 2 284.320 -1.779 20 0 CAADLO Cn1cc(C[NH2+][C@@H](CO)CNC(=O)C[C@@H]2CCOC2)nn1 ZINC001423198691 890638243 /nfs/dbraw/zinc/63/82/43/890638243.db2.gz UONJVXBUDJQJAD-CMPLNLGQSA-N 1 2 297.359 -1.192 20 0 CAADLO O=C(Cn1cnnn1)NC[C@@H](CO)[NH2+]Cc1nccs1 ZINC001423200758 890638471 /nfs/dbraw/zinc/63/84/71/890638471.db2.gz WWNGIZIWYBORQA-QMMMGPOBSA-N 1 2 297.344 -1.604 20 0 CAADLO Cn1ncc(C[NH2+][C@@H](CO)CNC(=O)[C@H]2CCOC2)n1 ZINC001423197133 890638562 /nfs/dbraw/zinc/63/85/62/890638562.db2.gz ALFUAGZPDBWZMG-GXSJLCMTSA-N 1 2 283.332 -1.582 20 0 CAADLO Cn1cnnc1C[NH2+][C@H](CO)CNC(=O)Cc1cc[nH]n1 ZINC001423198277 890638786 /nfs/dbraw/zinc/63/87/86/890638786.db2.gz RZEHZLXCEYRCGT-JTQLQIEISA-N 1 2 293.331 -1.652 20 0 CAADLO CC(=O)N[C@@H](C)C(=O)NC[C@H](CO)[NH2+]Cc1nnnn1C ZINC001423200655 890638793 /nfs/dbraw/zinc/63/87/93/890638793.db2.gz WAODRUILGVUASO-IONNQARKSA-N 1 2 299.335 -2.699 20 0 CAADLO O=C(Cn1cnnn1)NC[C@H](CO)[NH2+]Cc1nccs1 ZINC001423200755 890639009 /nfs/dbraw/zinc/63/90/09/890639009.db2.gz WWNGIZIWYBORQA-MRVPVSSYSA-N 1 2 297.344 -1.604 20 0 CAADLO CC(=O)N[C@@H](C)C(=O)NC[C@@H](CO)[NH2+]Cc1nnnn1C ZINC001423200653 890639395 /nfs/dbraw/zinc/63/93/95/890639395.db2.gz WAODRUILGVUASO-CBAPKCEASA-N 1 2 299.335 -2.699 20 0 CAADLO Cn1ncc(C[NH2+][C@@H](CO)CNC(=O)[C@@H]2CCOC2)n1 ZINC001423197140 890640013 /nfs/dbraw/zinc/64/00/13/890640013.db2.gz ALFUAGZPDBWZMG-MWLCHTKSSA-N 1 2 283.332 -1.582 20 0 CAADLO Cc1nonc1C[NH2+][C@H](CO)CNC(=O)c1cn(C)cn1 ZINC001423209024 890641619 /nfs/dbraw/zinc/64/16/19/890641619.db2.gz CQKTXXIGGLTTKY-VIFPVBQESA-N 1 2 294.315 -1.008 20 0 CAADLO Cn1ncnc1C[NH2+][C@@H](CO)CNC(=O)[C@]12C[C@H]1COC2 ZINC001423210952 890641445 /nfs/dbraw/zinc/64/14/45/890641445.db2.gz LDOMGAXAVKVGHL-CWSCBRNRSA-N 1 2 295.343 -1.582 20 0 CAADLO CC[C@@H](OC)C(=O)NC[C@@H](CO)[NH2+]Cc1cn(C)nn1 ZINC001423207416 890641518 /nfs/dbraw/zinc/64/15/18/890641518.db2.gz PCWZJEDAYOGEGU-WDEREUQCSA-N 1 2 285.348 -1.193 20 0 CAADLO Cc1c[nH]nc1C(=O)NC[C@H](CO)[NH2+]Cc1cnn(C)n1 ZINC001423211069 890641730 /nfs/dbraw/zinc/64/17/30/890641730.db2.gz OTBYSJLZPXUVST-SNVBAGLBSA-N 1 2 293.331 -1.273 20 0 CAADLO Cc1c[nH]nc1C(=O)NC[C@H](CO)[NH2+]Cc1ncnn1C ZINC001423202883 890642147 /nfs/dbraw/zinc/64/21/47/890642147.db2.gz AECBYYKCIXAYSR-SECBINFHSA-N 1 2 293.331 -1.273 20 0 CAADLO Cc1ocnc1C(=O)NC[C@@H](CO)[NH2+]Cc1cnn(C)n1 ZINC001423208092 890642604 /nfs/dbraw/zinc/64/26/04/890642604.db2.gz PQSNTADJUOLVJV-JTQLQIEISA-N 1 2 294.315 -1.008 20 0 CAADLO Cc1nnc(C[NH2+][C@H](CO)CNC(=O)c2ncn(C)n2)[nH]1 ZINC001423215173 890644462 /nfs/dbraw/zinc/64/44/62/890644462.db2.gz URZDPDPHULXZET-QMMMGPOBSA-N 1 2 294.319 -1.878 20 0 CAADLO Cn1nnnc1C[NH2+][C@@H](CO)CNC(=O)Cc1ccoc1 ZINC001423216970 890644495 /nfs/dbraw/zinc/64/44/95/890644495.db2.gz WXGQRWCTPAJUCB-SNVBAGLBSA-N 1 2 294.315 -1.388 20 0 CAADLO Cc1ncoc1C(=O)NC[C@H](CO)[NH2+]Cc1ncnn1C ZINC001423217851 890644791 /nfs/dbraw/zinc/64/47/91/890644791.db2.gz FOEANIOQDMNOFJ-SECBINFHSA-N 1 2 294.315 -1.008 20 0 CAADLO Cn1cnnc1C[NH2+][C@@H](CO)CNC(=O)[C@H]1CCCOC1 ZINC001423217792 890644888 /nfs/dbraw/zinc/64/48/88/890644888.db2.gz YVAOCRPFPDELDZ-WDEREUQCSA-N 1 2 297.359 -1.192 20 0 CAADLO Cc1nnc(C[NH2+][C@@H](CO)CNC(=O)c2ncn(C)n2)[nH]1 ZINC001423215170 890646405 /nfs/dbraw/zinc/64/64/05/890646405.db2.gz URZDPDPHULXZET-MRVPVSSYSA-N 1 2 294.319 -1.878 20 0 CAADLO O=C(Cn1ncnn1)NC[C@H](CO)[NH2+]Cc1cscn1 ZINC001423223077 890648484 /nfs/dbraw/zinc/64/84/84/890648484.db2.gz ZVZZRRZUUWEREK-MRVPVSSYSA-N 1 2 297.344 -1.604 20 0 CAADLO Cc1cc(C[NH2+][C@@H](CO)CNC(=O)Cn2ncnn2)no1 ZINC001423221830 890649116 /nfs/dbraw/zinc/64/91/16/890649116.db2.gz UTXRFBJLESXOKP-SNVBAGLBSA-N 1 2 295.303 -1.764 20 0 CAADLO Cc1cc(C[NH2+][C@H](CO)CNC(=O)Cn2ncnn2)no1 ZINC001423221829 890649232 /nfs/dbraw/zinc/64/92/32/890649232.db2.gz UTXRFBJLESXOKP-JTQLQIEISA-N 1 2 295.303 -1.764 20 0 CAADLO Cn1cc(C[NH2+][C@H](CO)CNC(=O)C2=CCOCC2)nn1 ZINC001423228798 890649492 /nfs/dbraw/zinc/64/94/92/890649492.db2.gz JBZUNUQFHMEEJH-LBPRGKRZSA-N 1 2 295.343 -1.272 20 0 CAADLO Cc1nc(C(=O)NC[C@@H](CO)[NH2+]Cc2nnnn2C)co1 ZINC001423240415 890650434 /nfs/dbraw/zinc/65/04/34/890650434.db2.gz YJEKLDDOJBQDOW-QMMMGPOBSA-N 1 2 295.303 -1.613 20 0 CAADLO Cn1ncc(C[NH2+]C2(CNC(=O)c3cn[nH]n3)CC2)n1 ZINC001423239256 890650580 /nfs/dbraw/zinc/65/05/80/890650580.db2.gz NXQDODQOIIQIIL-UHFFFAOYSA-N 1 2 276.304 -1.015 20 0 CAADLO CNC(=O)NCC(=O)NC[C@H](CO)[NH2+]Cc1nncn1C ZINC001423242651 890650741 /nfs/dbraw/zinc/65/07/41/890650741.db2.gz RJDFSYAIHSQRNX-MRVPVSSYSA-N 1 2 299.335 -2.689 20 0 CAADLO CNC(=O)NCC(=O)NC[C@@H](CO)[NH2+]Cc1nncn1C ZINC001423242652 890651475 /nfs/dbraw/zinc/65/14/75/890651475.db2.gz RJDFSYAIHSQRNX-QMMMGPOBSA-N 1 2 299.335 -2.689 20 0 CAADLO Cc1cc(C[NH2+][C@H](CO)CNC(=O)c2cn[nH]n2)nn1C ZINC001423235144 890652468 /nfs/dbraw/zinc/65/24/68/890652468.db2.gz ZYDYPOWZVGGKKO-JTQLQIEISA-N 1 2 293.331 -1.273 20 0 CAADLO Cc1nnc(C[NH2+][C@@H](CO)CNC(=O)c2cnco2)[nH]1 ZINC001423251601 890654358 /nfs/dbraw/zinc/65/43/58/890654358.db2.gz NSRYLQPQTCZPJI-MRVPVSSYSA-N 1 2 280.288 -1.018 20 0 CAADLO Cc1nnc(C[NH2+][C@H](CO)CNC(=O)c2cnco2)[nH]1 ZINC001423251602 890654426 /nfs/dbraw/zinc/65/44/26/890654426.db2.gz NSRYLQPQTCZPJI-QMMMGPOBSA-N 1 2 280.288 -1.018 20 0 CAADLO C[C@H](CC(N)=O)C(=O)NC[C@H](CO)[NH2+]Cc1cn(C)nn1 ZINC001423258712 890654546 /nfs/dbraw/zinc/65/45/46/890654546.db2.gz FUENMYLNSTYOHZ-PSASIEDQSA-N 1 2 298.347 -2.107 20 0 CAADLO Cn1[nH]c(C[NH2+][C@@H](CO)CNC(=O)[C@H]2CC23CC3)nc1=O ZINC001423275547 890656327 /nfs/dbraw/zinc/65/63/27/890656327.db2.gz VYTKGZZNYOJRMC-RKDXNWHRSA-N 1 2 295.343 -1.525 20 0 CAADLO Cc1nocc1C(=O)NC[C@H](CO)[NH2+]Cc1cnn(C)n1 ZINC001423262912 890656691 /nfs/dbraw/zinc/65/66/91/890656691.db2.gz YVGKXFUYVMOZPR-SNVBAGLBSA-N 1 2 294.315 -1.008 20 0 CAADLO Cn1nnc(C(=O)NC[C@@H](CO)[NH2+]Cc2cscn2)n1 ZINC001423261831 890656738 /nfs/dbraw/zinc/65/67/38/890656738.db2.gz OIRABHPLGJWDSD-ZETCQYMHSA-N 1 2 297.344 -1.453 20 0 CAADLO Cc1nocc1C(=O)NC[C@H](CO)[NH2+]Cc1ncnn1C ZINC001423263052 890656926 /nfs/dbraw/zinc/65/69/26/890656926.db2.gz ZYUZFTNNAMRTOZ-SECBINFHSA-N 1 2 294.315 -1.008 20 0 CAADLO C[C@H](CC(N)=O)C(=O)NC[C@@H](CO)[NH2+]Cc1cnn(C)n1 ZINC001423273191 890657589 /nfs/dbraw/zinc/65/75/89/890657589.db2.gz YOFPRWXWRBZVHB-SCZZXKLOSA-N 1 2 298.347 -2.107 20 0 CAADLO Cn1[nH]c(C[NH2+][C@H](CO)CNC(=O)[C@H]2CC23CC3)nc1=O ZINC001423275540 890657973 /nfs/dbraw/zinc/65/79/73/890657973.db2.gz VYTKGZZNYOJRMC-DTWKUNHWSA-N 1 2 295.343 -1.525 20 0 CAADLO O=C(NCC1([NH2+]Cc2nncs2)CC1)[C@@H]1CNC(=O)N1 ZINC001423260049 890658794 /nfs/dbraw/zinc/65/87/94/890658794.db2.gz OKKPPDZUYJIWQQ-ZETCQYMHSA-N 1 2 296.356 -1.042 20 0 CAADLO Cn1cncc1C[NH2+][C@@H](CO)CNC(=O)Cc1nnc[nH]1 ZINC001423277492 890659721 /nfs/dbraw/zinc/65/97/21/890659721.db2.gz CPZKJYXPBXWPHM-SECBINFHSA-N 1 2 293.331 -1.652 20 0 CAADLO Cn1nncc1C[NH2+][C@@H](CO)CNC(=O)Cc1nnc[nH]1 ZINC001423278350 890659904 /nfs/dbraw/zinc/65/99/04/890659904.db2.gz ICRDFDOQHLFMQM-MRVPVSSYSA-N 1 2 294.319 -2.257 20 0 CAADLO Cn1nncc1C[NH2+][C@H](CO)CNC(=O)Cc1nnc[nH]1 ZINC001423278353 890660789 /nfs/dbraw/zinc/66/07/89/890660789.db2.gz ICRDFDOQHLFMQM-QMMMGPOBSA-N 1 2 294.319 -2.257 20 0 CAADLO CS(=O)(=O)CC[NH2+][C@H](CO)CNC(=O)c1ncn[nH]1 ZINC001423293884 890661683 /nfs/dbraw/zinc/66/16/83/890661683.db2.gz UNUCVNQJFLCINZ-ZETCQYMHSA-N 1 2 291.333 -2.470 20 0 CAADLO CS(=O)(=O)CC[NH2+][C@H](CO)CNC(=O)c1nc[nH]n1 ZINC001423293884 890661689 /nfs/dbraw/zinc/66/16/89/890661689.db2.gz UNUCVNQJFLCINZ-ZETCQYMHSA-N 1 2 291.333 -2.470 20 0 CAADLO Cn1cc(C[NH2+][C@H](CO)CNC(=O)c2ncccn2)nn1 ZINC001423295677 890661877 /nfs/dbraw/zinc/66/18/77/890661877.db2.gz XCXFFJQZGZCAOQ-JTQLQIEISA-N 1 2 291.315 -1.514 20 0 CAADLO Cc1nonc1C[NH2+][C@@H](CO)CNC(=O)c1ccn(C)n1 ZINC001423299505 890664540 /nfs/dbraw/zinc/66/45/40/890664540.db2.gz DLNMWEXYBJUQIY-SECBINFHSA-N 1 2 294.315 -1.008 20 0 CAADLO CC(=O)NCC(=O)N(C)C1C[NH+](CCN2CCCC2=O)C1 ZINC001423366774 890667791 /nfs/dbraw/zinc/66/77/91/890667791.db2.gz JXFIWJLBRSVZKB-UHFFFAOYSA-N 1 2 296.371 -1.113 20 0 CAADLO COC[C@H](O)C[NH+]1CC(N(C)C(=O)[C@H]2CCC(=O)N2)C1 ZINC001423379037 890668134 /nfs/dbraw/zinc/66/81/34/890668134.db2.gz QKACLSVRBCNAEK-GHMZBOCLSA-N 1 2 285.344 -1.585 20 0 CAADLO Cc1nonc1C(=O)NC[C@H](CO)[NH2+]Cc1cn(C)nn1 ZINC001423311490 890668407 /nfs/dbraw/zinc/66/84/07/890668407.db2.gz SXXCFVXXLYIPFJ-SECBINFHSA-N 1 2 295.303 -1.613 20 0 CAADLO Cc1nonc1C(=O)NC[C@@H](CO)[NH2+]Cc1cn(C)nn1 ZINC001423311491 890668596 /nfs/dbraw/zinc/66/85/96/890668596.db2.gz SXXCFVXXLYIPFJ-VIFPVBQESA-N 1 2 295.303 -1.613 20 0 CAADLO COC[C@H](O)C[NH+]1CC(N(C)C(=O)c2nccnc2N)C1 ZINC001423397233 890670194 /nfs/dbraw/zinc/67/01/94/890670194.db2.gz GALRHUFMNJMVGK-SNVBAGLBSA-N 1 2 295.343 -1.178 20 0 CAADLO CC(=O)NCC(=O)N(C)C[C@@H](O)C[NH2+]Cc1nnc(C)o1 ZINC001423424599 890671535 /nfs/dbraw/zinc/67/15/35/890671535.db2.gz BUISILPWJYMNTI-JTQLQIEISA-N 1 2 299.331 -1.577 20 0 CAADLO CNS(=O)(=O)NCC(=O)N(C)C1C[NH+](CCO)C1 ZINC001423401552 890671877 /nfs/dbraw/zinc/67/18/77/890671877.db2.gz WGCZDYWSXRQMHM-UHFFFAOYSA-N 1 2 280.350 -2.825 20 0 CAADLO CN(C[C@@H](O)C[NH2+][C@H]1CCNC1=O)C(=O)Cc1ncn[nH]1 ZINC001423475341 890676350 /nfs/dbraw/zinc/67/63/50/890676350.db2.gz JJRJZYBKGCSOLQ-IUCAKERBSA-N 1 2 296.331 -2.355 20 0 CAADLO CN(C[C@@H](O)C[NH2+][C@@H]1CCNC1=O)C(=O)Cc1ncn[nH]1 ZINC001423475338 890677067 /nfs/dbraw/zinc/67/70/67/890677067.db2.gz JJRJZYBKGCSOLQ-DTWKUNHWSA-N 1 2 296.331 -2.355 20 0 CAADLO CN(C[C@H](O)C[NH2+][C@H]1CCNC1=O)C(=O)Cc1ncn[nH]1 ZINC001423475335 890678166 /nfs/dbraw/zinc/67/81/66/890678166.db2.gz JJRJZYBKGCSOLQ-BDAKNGLRSA-N 1 2 296.331 -2.355 20 0 CAADLO CN(C[C@H](O)C[NH2+]Cc1csnn1)C(=O)c1nc[nH]n1 ZINC001423480610 890680204 /nfs/dbraw/zinc/68/02/04/890680204.db2.gz FKOLVTGJCJVNGS-MRVPVSSYSA-N 1 2 297.344 -1.121 20 0 CAADLO CN(C[C@H](O)C[N@H+](C)CC(N)=O)C(=O)Cc1ccn[nH]1 ZINC001423499587 890680244 /nfs/dbraw/zinc/68/02/44/890680244.db2.gz AVOQITNWPVJTSS-SNVBAGLBSA-N 1 2 283.332 -1.811 20 0 CAADLO CN(C[C@H](O)C[N@@H+](C)CC(N)=O)C(=O)Cc1ccn[nH]1 ZINC001423499587 890680251 /nfs/dbraw/zinc/68/02/51/890680251.db2.gz AVOQITNWPVJTSS-SNVBAGLBSA-N 1 2 283.332 -1.811 20 0 CAADLO CN(C[C@H](O)C[NH2+][C@@H]1CCNC1=O)C(=O)Cc1ncn[nH]1 ZINC001423475344 890680287 /nfs/dbraw/zinc/68/02/87/890680287.db2.gz JJRJZYBKGCSOLQ-RKDXNWHRSA-N 1 2 296.331 -2.355 20 0 CAADLO C[C@@]1(NC(=O)c2cn[nH]c2)CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001423559268 890684557 /nfs/dbraw/zinc/68/45/57/890684557.db2.gz OXCROMPKNHYFIV-GFCCVEGCSA-N 1 2 294.315 -1.201 20 0 CAADLO C[C@@]1(NC(=O)c2cn[nH]c2)CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001423559268 890684564 /nfs/dbraw/zinc/68/45/64/890684564.db2.gz OXCROMPKNHYFIV-GFCCVEGCSA-N 1 2 294.315 -1.201 20 0 CAADLO C[C@]1(NC(=O)c2cn[nH]c2)CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001423559270 890685904 /nfs/dbraw/zinc/68/59/04/890685904.db2.gz OXCROMPKNHYFIV-LBPRGKRZSA-N 1 2 294.315 -1.201 20 0 CAADLO C[C@]1(NC(=O)c2cn[nH]c2)CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001423559270 890685911 /nfs/dbraw/zinc/68/59/11/890685911.db2.gz OXCROMPKNHYFIV-LBPRGKRZSA-N 1 2 294.315 -1.201 20 0 CAADLO CNC(=O)C[N@H+](CCNC(=O)c1ccn[nH]1)CCOC ZINC001423639090 890688901 /nfs/dbraw/zinc/68/89/01/890688901.db2.gz ZIBDGPSFADXQDP-UHFFFAOYSA-N 1 2 283.332 -1.166 20 0 CAADLO CNC(=O)C[N@@H+](CCNC(=O)c1ccn[nH]1)CCOC ZINC001423639090 890688907 /nfs/dbraw/zinc/68/89/07/890688907.db2.gz ZIBDGPSFADXQDP-UHFFFAOYSA-N 1 2 283.332 -1.166 20 0 CAADLO COCC[N@H+](CCNC(=O)[C@H]1CCO[C@H]1C)CC(N)=O ZINC001423653515 890689105 /nfs/dbraw/zinc/68/91/05/890689105.db2.gz ZSTFBDUAKBYTSY-QWRGUYRKSA-N 1 2 287.360 -1.039 20 0 CAADLO COCC[N@@H+](CCNC(=O)[C@H]1CCO[C@H]1C)CC(N)=O ZINC001423653515 890689110 /nfs/dbraw/zinc/68/91/10/890689110.db2.gz ZSTFBDUAKBYTSY-QWRGUYRKSA-N 1 2 287.360 -1.039 20 0 CAADLO COCC[N@H+](CCNC(=O)c1cncnc1C)CC(N)=O ZINC001423627936 890689239 /nfs/dbraw/zinc/68/92/39/890689239.db2.gz BUBKJOCCBHTCPJ-UHFFFAOYSA-N 1 2 295.343 -1.051 20 0 CAADLO COCC[N@@H+](CCNC(=O)c1cncnc1C)CC(N)=O ZINC001423627936 890689248 /nfs/dbraw/zinc/68/92/48/890689248.db2.gz BUBKJOCCBHTCPJ-UHFFFAOYSA-N 1 2 295.343 -1.051 20 0 CAADLO COCC[N@H+](CCNC(=O)c1nn(C)cc1C)CC(N)=O ZINC001423629496 890689298 /nfs/dbraw/zinc/68/92/98/890689298.db2.gz VUZHZIXCUFRLJA-UHFFFAOYSA-N 1 2 297.359 -1.108 20 0 CAADLO COCC[N@@H+](CCNC(=O)c1nn(C)cc1C)CC(N)=O ZINC001423629496 890689307 /nfs/dbraw/zinc/68/93/07/890689307.db2.gz VUZHZIXCUFRLJA-UHFFFAOYSA-N 1 2 297.359 -1.108 20 0 CAADLO COCC[N@H+](CCNC(=O)[C@H]1C[C@@]12CCOC2)CC(N)=O ZINC001423643568 890690760 /nfs/dbraw/zinc/69/07/60/890690760.db2.gz UCEVAPJKMVQJBZ-BXUZGUMPSA-N 1 2 299.371 -1.037 20 0 CAADLO COCC[N@@H+](CCNC(=O)[C@H]1C[C@@]12CCOC2)CC(N)=O ZINC001423643568 890690768 /nfs/dbraw/zinc/69/07/68/890690768.db2.gz UCEVAPJKMVQJBZ-BXUZGUMPSA-N 1 2 299.371 -1.037 20 0 CAADLO CNC(=O)CCCC(=O)NCC1(O)C[NH+](CCCO)C1 ZINC001423818620 890701406 /nfs/dbraw/zinc/70/14/06/890701406.db2.gz APAUXFGQRPZCFO-UHFFFAOYSA-N 1 2 287.360 -1.552 20 0 CAADLO Cc1c(C(=O)NCC2(O)C[NH+](CCCO)C2)cnn1C ZINC001423804958 890702026 /nfs/dbraw/zinc/70/20/26/890702026.db2.gz DBDSGORBRFBEIQ-UHFFFAOYSA-N 1 2 282.344 -1.113 20 0 CAADLO C[C@@H](O)C[NH+]1CC(O)(CNC(=O)CCn2cccn2)C1 ZINC001423805534 890702052 /nfs/dbraw/zinc/70/20/52/890702052.db2.gz GGQJXLFDHMXJBH-LLVKDONJSA-N 1 2 282.344 -1.183 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(O)(CNC(=O)c2cn(C)nn2)C1 ZINC001423823341 890702299 /nfs/dbraw/zinc/70/22/99/890702299.db2.gz FOVJGQWWVVGOQI-VIFPVBQESA-N 1 2 299.331 -2.401 20 0 CAADLO Cn1cnc(C(=O)NCC2(O)C[NH+](CCCO)C2)cc1=O ZINC001423835186 890703243 /nfs/dbraw/zinc/70/32/43/890703243.db2.gz OUUIRQCPRTZSFX-UHFFFAOYSA-N 1 2 296.327 -2.061 20 0 CAADLO C[C@@H](O)C[NH+]1CC(O)(CNC(=O)CCc2ccncn2)C1 ZINC001423826617 890704081 /nfs/dbraw/zinc/70/40/81/890704081.db2.gz RKPGPTAFVJZGKK-LLVKDONJSA-N 1 2 294.355 -1.047 20 0 CAADLO O=C(CCc1ccncn1)NCC1(O)C[NH+](CCCO)C1 ZINC001423825656 890704541 /nfs/dbraw/zinc/70/45/41/890704541.db2.gz OJFWHXQIPGXZGV-UHFFFAOYSA-N 1 2 294.355 -1.046 20 0 CAADLO CN(CC(=O)NCC1(O)C[NH+](CCCO)C1)C(=O)C1CC1 ZINC001423828095 890705265 /nfs/dbraw/zinc/70/52/65/890705265.db2.gz WWNKMQNWGZBRHW-UHFFFAOYSA-N 1 2 299.371 -1.600 20 0 CAADLO CCn1ncc(C(=O)NCC2(O)C[NH+](C[C@H](C)O)C2)n1 ZINC001423827392 890705387 /nfs/dbraw/zinc/70/53/87/890705387.db2.gz VCCPRVNMMRBHAN-VIFPVBQESA-N 1 2 283.332 -1.545 20 0 CAADLO CN1CC[C@@H](CC(=O)NCC2(O)C[NH+](CCCO)C2)C1=O ZINC001423832340 890705614 /nfs/dbraw/zinc/70/56/14/890705614.db2.gz KGYKGKZUQPVAEB-NSHDSACASA-N 1 2 299.371 -1.600 20 0 CAADLO CC[NH+]1CC(O)(CNC(=O)c2cccn3nnnc23)C1 ZINC001423826847 890705807 /nfs/dbraw/zinc/70/58/07/890705807.db2.gz SKBYXLFJFJTUME-UHFFFAOYSA-N 1 2 276.300 -1.079 20 0 CAADLO COC[C@@H](C)[NH+]1CC(O)(CNC(=O)c2ncn(C)n2)C1 ZINC001423826787 890705826 /nfs/dbraw/zinc/70/58/26/890705826.db2.gz PSQPKCQLNGTPDY-SECBINFHSA-N 1 2 283.332 -1.374 20 0 CAADLO COC[C@@H](C)[NH+]1CC(O)(CNC(=O)c2c[nH]c(=O)n2C)C1 ZINC001423860935 890706864 /nfs/dbraw/zinc/70/68/64/890706864.db2.gz QQUYZDPVDIOSDJ-SECBINFHSA-N 1 2 298.343 -1.063 20 0 CAADLO O=C(CCn1cc[nH+]c1)NCC1(O)CN(CCCO)C1 ZINC001423863375 890707394 /nfs/dbraw/zinc/70/73/94/890707394.db2.gz YORFZALOTPBCHF-UHFFFAOYSA-N 1 2 282.344 -1.182 20 0 CAADLO CC[NH+]1CC(O)(CNC(=O)CC[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001423872383 890707925 /nfs/dbraw/zinc/70/79/25/890707925.db2.gz WQAUFTPNUOUAOX-MNOVXSKESA-N 1 2 299.371 -1.018 20 0 CAADLO Cn1cc[nH+]c1CCC(=O)NCC1(O)CN(CC(N)=O)C1 ZINC001423863270 890708275 /nfs/dbraw/zinc/70/82/75/890708275.db2.gz ANQDOIRFKJAUNH-UHFFFAOYSA-N 1 2 295.343 -1.999 20 0 CAADLO C[C@@H](O)C[NH+]1CC(O)(CNC(=O)[C@H]2CC[C@@H](C(N)=O)C2)C1 ZINC001423872135 890708994 /nfs/dbraw/zinc/70/89/94/890708994.db2.gz RPRJEIDKZXYEJX-MXWKQRLJSA-N 1 2 299.371 -1.568 20 0 CAADLO COC[C@H](O)C[NH+]1CC(O)(CNC(=O)c2nocc2C)C1 ZINC001423901119 890711727 /nfs/dbraw/zinc/71/17/27/890711727.db2.gz IXCVLYDZCZFKOE-SNVBAGLBSA-N 1 2 299.327 -1.233 20 0 CAADLO COC[C@@H](C)[NH+]1CC(O)(CNC(=O)Cn2cncn2)C1 ZINC001423902549 890711822 /nfs/dbraw/zinc/71/18/22/890711822.db2.gz GVXYRTJNUNFFSH-SNVBAGLBSA-N 1 2 283.332 -1.524 20 0 CAADLO CCN1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1=O ZINC001423897064 890712964 /nfs/dbraw/zinc/71/29/64/890712964.db2.gz DEBBHPCYIRVINZ-UHFFFAOYSA-N 1 2 290.389 -1.357 20 0 CAADLO CC(C)[NH+]1CC(O)(CNC(=O)c2nccnc2C(N)=O)C1 ZINC001423912273 890715607 /nfs/dbraw/zinc/71/56/07/890715607.db2.gz SNLDXLZNOGOHOQ-UHFFFAOYSA-N 1 2 293.327 -1.240 20 0 CAADLO CNC(=O)C[N@@H+]1CCC[C@](CO)(NC(=O)c2cn[nH]c2)C1 ZINC001424001895 890715746 /nfs/dbraw/zinc/71/57/46/890715746.db2.gz LQEBSBFFYHYFLR-ZDUSSCGKSA-N 1 2 295.343 -1.288 20 0 CAADLO CNC(=O)C[N@H+]1CCC[C@](CO)(NC(=O)c2cn[nH]c2)C1 ZINC001424001895 890715762 /nfs/dbraw/zinc/71/57/62/890715762.db2.gz LQEBSBFFYHYFLR-ZDUSSCGKSA-N 1 2 295.343 -1.288 20 0 CAADLO COCC[C@@H](CO)NS(=O)(=O)N1CC[NH+](C)CC1 ZINC001423985713 890715993 /nfs/dbraw/zinc/71/59/93/890715993.db2.gz VMKGAUCWGBPDAW-JTQLQIEISA-N 1 2 281.378 -1.534 20 0 CAADLO CCNC(=O)C[N@@H+]1CCC[C@@](CO)(NC(=O)COC)C1 ZINC001424006758 890716471 /nfs/dbraw/zinc/71/64/71/890716471.db2.gz JJRNRHLWABFJOQ-CYBMUJFWSA-N 1 2 287.360 -1.288 20 0 CAADLO CCNC(=O)C[N@@H+]1CCC[C@](CO)(NC(=O)COC)C1 ZINC001424006765 890716380 /nfs/dbraw/zinc/71/63/80/890716380.db2.gz JJRNRHLWABFJOQ-ZDUSSCGKSA-N 1 2 287.360 -1.288 20 0 CAADLO CCNC(=O)C[N@H+]1CCC[C@](CO)(NC(=O)COC)C1 ZINC001424006765 890716392 /nfs/dbraw/zinc/71/63/92/890716392.db2.gz JJRNRHLWABFJOQ-ZDUSSCGKSA-N 1 2 287.360 -1.288 20 0 CAADLO CCNC(=O)C[N@H+]1CCC[C@@](CO)(NC(=O)COC)C1 ZINC001424006758 890716484 /nfs/dbraw/zinc/71/64/84/890716484.db2.gz JJRNRHLWABFJOQ-CYBMUJFWSA-N 1 2 287.360 -1.288 20 0 CAADLO O=C(Cn1cnnn1)NC[C@H]1COCC[N@H+]1CCCF ZINC001424107937 890719270 /nfs/dbraw/zinc/71/92/70/890719270.db2.gz QZLGRBPHXLBWLP-JTQLQIEISA-N 1 2 286.311 -1.150 20 0 CAADLO O=C(Cn1cnnn1)NC[C@H]1COCC[N@@H+]1CCCF ZINC001424107937 890719277 /nfs/dbraw/zinc/71/92/77/890719277.db2.gz QZLGRBPHXLBWLP-JTQLQIEISA-N 1 2 286.311 -1.150 20 0 CAADLO CC(=O)N(C)CC(=O)NC[C@@H]1COCC[N@H+]1C[C@@H](C)O ZINC001424097128 890720501 /nfs/dbraw/zinc/72/05/01/890720501.db2.gz DJMFOYMGCLCTRF-ZYHUDNBSSA-N 1 2 287.360 -1.338 20 0 CAADLO CC(=O)N(C)CC(=O)NC[C@@H]1COCC[N@@H+]1C[C@@H](C)O ZINC001424097128 890720511 /nfs/dbraw/zinc/72/05/11/890720511.db2.gz DJMFOYMGCLCTRF-ZYHUDNBSSA-N 1 2 287.360 -1.338 20 0 CAADLO C[C@H](O)C[N@@H+]1CCOC[C@H]1CNC(=O)CCn1cnnn1 ZINC001424127727 890722642 /nfs/dbraw/zinc/72/26/42/890722642.db2.gz KQLBQFWJJHCEFX-WDEREUQCSA-N 1 2 298.347 -1.739 20 0 CAADLO C[C@H](O)C[N@H+]1CCOC[C@H]1CNC(=O)CCn1cnnn1 ZINC001424127727 890722661 /nfs/dbraw/zinc/72/26/61/890722661.db2.gz KQLBQFWJJHCEFX-WDEREUQCSA-N 1 2 298.347 -1.739 20 0 CAADLO COC(=O)[C@](C)(CO)NS(=O)(=O)N1CC[NH+](C)CC1 ZINC001424194038 890723313 /nfs/dbraw/zinc/72/33/13/890723313.db2.gz DCJHYNKTSKKBFZ-JTQLQIEISA-N 1 2 295.361 -2.008 20 0 CAADLO CC(=O)N[C@H]1CCN(S(=O)(=O)N2CC[NH+](C)CC2)C1 ZINC001424256886 890726656 /nfs/dbraw/zinc/72/66/56/890726656.db2.gz HKLTZJXCJJFFIU-NSHDSACASA-N 1 2 290.389 -1.311 20 0 CAADLO CC(=O)N[C@@H]1CCN(S(=O)(=O)N2CC[NH+](C)CC2)C1 ZINC001424256880 890727776 /nfs/dbraw/zinc/72/77/76/890727776.db2.gz HKLTZJXCJJFFIU-LLVKDONJSA-N 1 2 290.389 -1.311 20 0 CAADLO C[C@H](CC(N)=O)C(=O)N[C@H]1COC2(C[NH+](CCCO)C2)C1 ZINC001424369136 890729100 /nfs/dbraw/zinc/72/91/00/890729100.db2.gz QOEKVBNZKVLEBV-GHMZBOCLSA-N 1 2 299.371 -1.160 20 0 CAADLO C[C@H](O)C[NH+]1CC2(C1)C[C@H](NC(=O)CCCC(N)=O)CO2 ZINC001424361821 890729266 /nfs/dbraw/zinc/72/92/66/890729266.db2.gz KPMRDCWZHHYDDH-QWRGUYRKSA-N 1 2 299.371 -1.018 20 0 CAADLO C[C@H](NC(N)=O)C(=O)N[C@@H]1COC2(C[NH+](CCO)C2)C1 ZINC001424356347 890730593 /nfs/dbraw/zinc/73/05/93/890730593.db2.gz JVSKGHQSQRJIII-IUCAKERBSA-N 1 2 286.332 -2.005 20 0 CAADLO COC(=O)[C@@H](F)CNS(=O)(=O)N1CC[NH+](C)CC1 ZINC001424621455 890736170 /nfs/dbraw/zinc/73/61/70/890736170.db2.gz VVXKZTZAZBBAOO-QMMMGPOBSA-N 1 2 283.325 -1.421 20 0 CAADLO CCC(=O)NCC(=O)N[C@H](C)[C@H](C)[NH2+]Cc1nnn(C)n1 ZINC001424746935 890739225 /nfs/dbraw/zinc/73/92/25/890739225.db2.gz FDAMWFWEXNPQRB-DTWKUNHWSA-N 1 2 297.363 -1.281 20 0 CAADLO NC(=O)C[NH+]1CCC(CO)(NC(=O)c2cnccn2)CC1 ZINC001424638632 890741429 /nfs/dbraw/zinc/74/14/29/890741429.db2.gz NRVSAAMUSHNTNG-UHFFFAOYSA-N 1 2 293.327 -1.481 20 0 CAADLO Cn1ncc(C(=O)NC2(CO)CC[NH+](CC(N)=O)CC2)n1 ZINC001424651348 890741837 /nfs/dbraw/zinc/74/18/37/890741837.db2.gz GJMYNNRRTQNQTR-UHFFFAOYSA-N 1 2 296.331 -2.143 20 0 CAADLO C[C@H](NC(=O)c1cn(C)nn1)[C@H](C)[NH2+]Cc1nnn(C)n1 ZINC001424767191 890742761 /nfs/dbraw/zinc/74/27/61/890742761.db2.gz WENLEMNYWQQYQV-YUMQZZPRSA-N 1 2 293.335 -1.365 20 0 CAADLO C[C@@H](NC(=O)c1cn[nH]n1)[C@H](C)[NH2+]Cc1nnnn1C ZINC001424795309 890744125 /nfs/dbraw/zinc/74/41/25/890744125.db2.gz VHOMDKATADDBQP-NKWVEPMBSA-N 1 2 279.308 -1.375 20 0 CAADLO C[C@@H](NC(=O)c1cnn[nH]1)[C@H](C)[NH2+]Cc1nnnn1C ZINC001424795309 890744141 /nfs/dbraw/zinc/74/41/41/890744141.db2.gz VHOMDKATADDBQP-NKWVEPMBSA-N 1 2 279.308 -1.375 20 0 CAADLO C[C@@H]([NH2+]Cc1nnn(C)n1)[C@H](C)NC(=O)c1cnon1 ZINC001424839960 890745563 /nfs/dbraw/zinc/74/55/63/890745563.db2.gz SIZULDJMRVKGJU-RQJHMYQMSA-N 1 2 280.292 -1.110 20 0 CAADLO COCC[NH+]1CC(CCO)(NC(=O)C[C@H]2CCC(=O)N2)C1 ZINC001425129131 890754356 /nfs/dbraw/zinc/75/43/56/890754356.db2.gz WGMYYESVGWLVSB-LLVKDONJSA-N 1 2 299.371 -1.146 20 0 CAADLO C[C@H](O)C[NH+]1CC(CCO)(NC(=O)[C@H]2CCOC2)C1 ZINC001425092825 890754410 /nfs/dbraw/zinc/75/44/10/890754410.db2.gz OCWUZMCUTSSXTI-QWRGUYRKSA-N 1 2 272.345 -1.043 20 0 CAADLO Cn1nccc1CCC(=O)NC1(CCO)C[NH+](CCO)C1 ZINC001425100578 890754429 /nfs/dbraw/zinc/75/44/29/890754429.db2.gz CFOQWBPVQDNDCI-UHFFFAOYSA-N 1 2 296.371 -1.102 20 0 CAADLO C[C@H](CC(=O)NC1(CCO)C[NH+](CCO)C1)NC(N)=O ZINC001425096115 890754735 /nfs/dbraw/zinc/75/47/35/890754735.db2.gz HNNQYFWCXLLEPB-SECBINFHSA-N 1 2 288.348 -2.021 20 0 CAADLO COC[C@@H](C)[NH+]1CC(CCO)(NC(=O)Cn2ncnn2)C1 ZINC001425096720 890755301 /nfs/dbraw/zinc/75/53/01/890755301.db2.gz NZQDGCNIYRKIHQ-SNVBAGLBSA-N 1 2 298.347 -1.739 20 0 CAADLO C[C@H](O)C[NH+]1CC(CCO)(NC(=O)C[C@H]2CCC(=O)N2)C1 ZINC001425125290 890755327 /nfs/dbraw/zinc/75/53/27/890755327.db2.gz GBJXTQVLYPUKBL-WDEREUQCSA-N 1 2 299.371 -1.411 20 0 CAADLO C[C@H](NC(=O)CO[C@@H]1CCOC1)C1C[NH+](CC(N)=O)C1 ZINC001425217222 890755442 /nfs/dbraw/zinc/75/54/42/890755442.db2.gz CVMOQARZYVSAMR-GXSJLCMTSA-N 1 2 285.344 -1.286 20 0 CAADLO C[C@@H](O)C[NH+]1CC(CCO)(NC(=O)C[C@H]2CCC(=O)N2)C1 ZINC001425125285 890755877 /nfs/dbraw/zinc/75/58/77/890755877.db2.gz GBJXTQVLYPUKBL-GHMZBOCLSA-N 1 2 299.371 -1.411 20 0 CAADLO C[C@@H](O)C[NH+]1CC(CCO)(NC(=O)[C@H]2CCOC2)C1 ZINC001425092823 890755921 /nfs/dbraw/zinc/75/59/21/890755921.db2.gz OCWUZMCUTSSXTI-MNOVXSKESA-N 1 2 272.345 -1.043 20 0 CAADLO O=C(NC1(CCO)C[NH+](CCCO)C1)[C@H]1CCNC(=O)C1 ZINC001425098173 890756046 /nfs/dbraw/zinc/75/60/46/890756046.db2.gz KYFPZBZGBFHRES-NSHDSACASA-N 1 2 299.371 -1.552 20 0 CAADLO COCC[NH+]1CC(CCO)(NC(=O)C[C@@H]2CCC(=O)N2)C1 ZINC001425129132 890756320 /nfs/dbraw/zinc/75/63/20/890756320.db2.gz WGMYYESVGWLVSB-NSHDSACASA-N 1 2 299.371 -1.146 20 0 CAADLO C[C@@H](NC(=O)CO[C@H]1CCOC1)C1C[NH+](CC(N)=O)C1 ZINC001425217224 890756440 /nfs/dbraw/zinc/75/64/40/890756440.db2.gz CVMOQARZYVSAMR-KOLCDFICSA-N 1 2 285.344 -1.286 20 0 CAADLO CNC(=O)C[NH+]1CC([C@@H](C)NC(=O)CNC(C)=O)C1 ZINC001425209640 890756536 /nfs/dbraw/zinc/75/65/36/890756536.db2.gz YDJHKYOFCLQOFF-MRVPVSSYSA-N 1 2 270.333 -1.695 20 0 CAADLO O=C(NC1(CCO)C[NH+](CCCO)C1)[C@H]1CCOC1 ZINC001425094918 890756582 /nfs/dbraw/zinc/75/65/82/890756582.db2.gz ZUWYZEXCIXLYFZ-NSHDSACASA-N 1 2 272.345 -1.042 20 0 CAADLO C[C@H]1C[C@@H](C(=O)NC2(CCO)C[NH+](CCO)C2)CO1 ZINC001425120558 890756945 /nfs/dbraw/zinc/75/69/45/890756945.db2.gz RHUPLYAAIZXHAF-WDEREUQCSA-N 1 2 272.345 -1.043 20 0 CAADLO COCC[NH+]1CC(CCO)(NC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001425136327 890757000 /nfs/dbraw/zinc/75/70/00/890757000.db2.gz YTTFRVWFIBAUCE-JTQLQIEISA-N 1 2 285.344 -1.536 20 0 CAADLO C[C@@H](O)C[NH+]1CC(CCO)(NC(=O)[C@@H]2CCOC2)C1 ZINC001425092821 890757085 /nfs/dbraw/zinc/75/70/85/890757085.db2.gz OCWUZMCUTSSXTI-GHMZBOCLSA-N 1 2 272.345 -1.043 20 0 CAADLO C[C@@H]1C[C@@H](C(=O)NC2(CCO)C[NH+](CCO)C2)CO1 ZINC001425120533 890757109 /nfs/dbraw/zinc/75/71/09/890757109.db2.gz RHUPLYAAIZXHAF-GHMZBOCLSA-N 1 2 272.345 -1.043 20 0 CAADLO COCCC(=O)NC[C@H](CO)NC(=O)Cc1c[nH]c[nH+]1 ZINC001425253208 890758422 /nfs/dbraw/zinc/75/84/22/890758422.db2.gz HPCKLRGHAVPOFQ-SNVBAGLBSA-N 1 2 284.316 -1.418 20 0 CAADLO C[C@H](NC(=O)CCCn1cncn1)C1C[NH+](CC(N)=O)C1 ZINC001425242651 890759829 /nfs/dbraw/zinc/75/98/29/890759829.db2.gz DIAGDVNGXXEZKM-JTQLQIEISA-N 1 2 294.359 -1.020 20 0 CAADLO C[C@@H](NC(=O)Cc1cncn1C)C1C[NH+](CC(N)=O)C1 ZINC001425260670 890760044 /nfs/dbraw/zinc/76/00/44/890760044.db2.gz AYTJZYCKYHPTAP-SECBINFHSA-N 1 2 279.344 -1.116 20 0 CAADLO CCO[C@@H](C)C(=O)NC[C@H](CO)NC(=O)Cc1[nH]cc[nH+]1 ZINC001425293454 890766244 /nfs/dbraw/zinc/76/62/44/890766244.db2.gz XASPCKOROWWQQF-VHSXEESVSA-N 1 2 298.343 -1.030 20 0 CAADLO CO[C@@H](C)C(=O)NC[C@H](CO)NC(=O)Cc1c[nH]c[nH+]1 ZINC001425321939 890767755 /nfs/dbraw/zinc/76/77/55/890767755.db2.gz SOFDCGJJYJNWKK-WCBMZHEXSA-N 1 2 284.316 -1.420 20 0 CAADLO CO[C@@H](C)C(=O)NC[C@H](CO)NC(=O)Cc1[nH]c[nH+]c1C ZINC001425312511 890768570 /nfs/dbraw/zinc/76/85/70/890768570.db2.gz IRLWLDFDLNXNTM-VHSXEESVSA-N 1 2 298.343 -1.111 20 0 CAADLO CO[C@H](C)C(=O)NC[C@H](CO)NC(=O)Cc1c[nH]c[nH+]1 ZINC001425321931 890769298 /nfs/dbraw/zinc/76/92/98/890769298.db2.gz SOFDCGJJYJNWKK-PSASIEDQSA-N 1 2 284.316 -1.420 20 0 CAADLO CO[C@@H](C)C(=O)NC[C@@H](CO)NC(=O)Cc1[nH]c[nH+]c1C ZINC001425312509 890769408 /nfs/dbraw/zinc/76/94/08/890769408.db2.gz IRLWLDFDLNXNTM-UWVGGRQHSA-N 1 2 298.343 -1.111 20 0 CAADLO O=C(Cc1[nH]cc[nH+]1)N[C@@H](CO)CNC(=O)c1cocn1 ZINC001425332082 890770339 /nfs/dbraw/zinc/77/03/39/890770339.db2.gz JRFXKUSWRCJUDO-MRVPVSSYSA-N 1 2 293.283 -1.153 20 0 CAADLO COC[C@@H](C)C(=O)N[C@@H](CO)CNC(=O)Cn1cc[nH+]c1 ZINC001425426927 890776639 /nfs/dbraw/zinc/77/66/39/890776639.db2.gz MJUFJQHLSBWXTK-GHMZBOCLSA-N 1 2 298.343 -1.241 20 0 CAADLO O=C(Cn1cc[nH+]c1)NC[C@@H](CO)NC(=O)c1ncc[nH]1 ZINC001425427223 890777673 /nfs/dbraw/zinc/77/76/73/890777673.db2.gz NJOGRNRQVLTVGK-VIFPVBQESA-N 1 2 292.299 -1.487 20 0 CAADLO O=C(Cn1cc[nH+]c1)NC[C@@H](CO)NC(=O)c1cn[nH]n1 ZINC001425430637 890777798 /nfs/dbraw/zinc/77/77/98/890777798.db2.gz VRHLBNNLUIKVQU-QMMMGPOBSA-N 1 2 293.287 -2.092 20 0 CAADLO COC[C@H](C)C(=O)N[C@H](CO)CNC(=O)Cn1cc[nH+]c1 ZINC001425426930 890777832 /nfs/dbraw/zinc/77/78/32/890777832.db2.gz MJUFJQHLSBWXTK-QWRGUYRKSA-N 1 2 298.343 -1.241 20 0 CAADLO O=C(Cc1[nH]cc[nH+]1)NC[C@H](CO)NC(=O)c1cnco1 ZINC001425483025 890781984 /nfs/dbraw/zinc/78/19/84/890781984.db2.gz FCGVDFHMWKVLCJ-MRVPVSSYSA-N 1 2 293.283 -1.153 20 0 CAADLO CCn1ncc(C[NH2+][C@@H](CO)CNC(=O)c2cn[nH]c2)n1 ZINC001425702624 890796184 /nfs/dbraw/zinc/79/61/84/890796184.db2.gz CTOCUAXSEHQTQW-LLVKDONJSA-N 1 2 293.331 -1.098 20 0 CAADLO Cn1cnnc1C[NH2+][C@@H](CO)CNC(=O)C[C@@H]1CCCO1 ZINC001425701129 890797301 /nfs/dbraw/zinc/79/73/01/890797301.db2.gz BJFBFFHVVJVINI-MNOVXSKESA-N 1 2 297.359 -1.049 20 0 CAADLO CCn1nc(C)c(C[NH2+][C@H](CO)CNC(=O)COC)n1 ZINC001425716095 890798645 /nfs/dbraw/zinc/79/86/45/890798645.db2.gz TYEUFVRSKPNXRD-JTQLQIEISA-N 1 2 285.348 -1.180 20 0 CAADLO Cc1cc(C[NH2+][C@H](CO)CNC(=O)[C@H]2CCC(=O)N2)no1 ZINC001425717896 890798775 /nfs/dbraw/zinc/79/87/75/890798775.db2.gz ZRQXORUVNBBMPN-WDEREUQCSA-N 1 2 296.327 -1.172 20 0 CAADLO CC(=O)N[C@@H](C)C(=O)NC[C@H](CO)[NH2+]Cc1cn(C)nn1 ZINC001425716561 890798966 /nfs/dbraw/zinc/79/89/66/890798966.db2.gz UMNCTHMJMVACHQ-GZMMTYOYSA-N 1 2 298.347 -2.094 20 0 CAADLO Cc1cc(C(=O)NC[C@@H](CO)[NH2+]Cc2nnnn2C)no1 ZINC001425715648 890799012 /nfs/dbraw/zinc/79/90/12/890799012.db2.gz SRYQCOQRCBXFNX-QMMMGPOBSA-N 1 2 295.303 -1.613 20 0 CAADLO CC(=O)N[C@H](C)C(=O)NC[C@@H](CO)[NH2+]Cc1cn(C)nn1 ZINC001425716569 890799105 /nfs/dbraw/zinc/79/91/05/890799105.db2.gz UMNCTHMJMVACHQ-KCJUWKMLSA-N 1 2 298.347 -2.094 20 0 CAADLO COCCC(=O)NC[C@@H](CO)[NH2+]Cc1nonc1C ZINC001425719160 890799725 /nfs/dbraw/zinc/79/97/25/890799725.db2.gz PBDUBZXWFCHNDY-VIFPVBQESA-N 1 2 272.305 -1.019 20 0 CAADLO Cn1cc(C[NH2+][C@H](CO)CNC(=O)C2=COCCO2)nn1 ZINC001425717964 890799960 /nfs/dbraw/zinc/79/99/60/890799960.db2.gz WHUBBODSMSWUTP-JTQLQIEISA-N 1 2 297.315 -1.730 20 0 CAADLO CCn1cc(C[NH2+][C@@H](CO)CNC(=O)c2cn[nH]c2)nn1 ZINC001425719584 890800293 /nfs/dbraw/zinc/80/02/93/890800293.db2.gz VVNJRUYCYWRUDG-LLVKDONJSA-N 1 2 293.331 -1.098 20 0 CAADLO Cn1ncnc1C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCOC1 ZINC001425722744 890802239 /nfs/dbraw/zinc/80/22/39/890802239.db2.gz LWSIQTKODJQIMU-NXEZZACHSA-N 1 2 283.332 -1.582 20 0 CAADLO Cc1cc(C(=O)NC[C@@H](CO)[NH2+]Cc2nnnn2C)co1 ZINC001425727317 890802298 /nfs/dbraw/zinc/80/22/98/890802298.db2.gz FXVGOILAADPPEE-JTQLQIEISA-N 1 2 294.315 -1.008 20 0 CAADLO Cn1ncnc1C[NH2+][C@H](CO)CNC(=O)[C@@H]1CCOC1 ZINC001425722754 890804252 /nfs/dbraw/zinc/80/42/52/890804252.db2.gz LWSIQTKODJQIMU-ZJUUUORDSA-N 1 2 283.332 -1.582 20 0 CAADLO CC(C)C(=O)NC[C@H](CO)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001425728169 890804663 /nfs/dbraw/zinc/80/46/63/890804663.db2.gz BTGFYGWWCQEULS-MRVPVSSYSA-N 1 2 271.321 -1.669 20 0 CAADLO Cn1cnc(C(=O)NC[C@H](CO)[NH2+]Cc2nnnn2C)c1 ZINC001425740595 890806073 /nfs/dbraw/zinc/80/60/73/890806073.db2.gz KUMPHAJJVZIZKO-MRVPVSSYSA-N 1 2 294.319 -2.176 20 0 CAADLO CO[C@@H](C(=O)NC[C@@H](CO)[NH2+]Cc1ncnn1C)C1CC1 ZINC001425738182 890806473 /nfs/dbraw/zinc/80/64/73/890806473.db2.gz DFCFOECOEKTAQC-CMPLNLGQSA-N 1 2 297.359 -1.193 20 0 CAADLO CO[C@H](C(=O)NC[C@@H](CO)[NH2+]Cc1ncnn1C)C1CC1 ZINC001425738190 890807071 /nfs/dbraw/zinc/80/70/71/890807071.db2.gz DFCFOECOEKTAQC-JQWIXIFHSA-N 1 2 297.359 -1.193 20 0 CAADLO Cn1cc(C[NH2+][C@H](CO)CNC(=O)Cc2cc[nH]n2)nn1 ZINC001425739642 890807390 /nfs/dbraw/zinc/80/73/90/890807390.db2.gz TVUKMTSMLVCUAK-NSHDSACASA-N 1 2 293.331 -1.652 20 0 CAADLO CO[C@H](C(=O)NC[C@H](CO)[NH2+]Cc1ncnn1C)C1CC1 ZINC001425738197 890807481 /nfs/dbraw/zinc/80/74/81/890807481.db2.gz DFCFOECOEKTAQC-PWSUYJOCSA-N 1 2 297.359 -1.193 20 0 CAADLO Cc1nc(C(=O)NC[C@H](CO)[NH2+]Cc2cn(C)nn2)co1 ZINC001425735126 890808184 /nfs/dbraw/zinc/80/81/84/890808184.db2.gz MOQYLXUBVMVRBI-SNVBAGLBSA-N 1 2 294.315 -1.008 20 0 CAADLO Cn1nnnc1C[NH2+][C@H](CO)CNC(=O)[C@@H]1CC1(F)F ZINC001425749054 890809470 /nfs/dbraw/zinc/80/94/70/890809470.db2.gz VMDCBLPCRJQELR-BQBZGAKWSA-N 1 2 290.274 -1.568 20 0 CAADLO O=C(CCn1cncn1)NC[C@H](CO)[NH2+]Cc1ccon1 ZINC001425743489 890809617 /nfs/dbraw/zinc/80/96/17/890809617.db2.gz UETDRNUJPKDJIL-LLVKDONJSA-N 1 2 294.315 -1.077 20 0 CAADLO CCn1ncc(C[NH2+][C@H](CO)CNC(=O)[C@H](O)C(C)C)n1 ZINC001425740924 890810594 /nfs/dbraw/zinc/81/05/94/890810594.db2.gz IECNNVTZQGZRQW-NWDGAFQWSA-N 1 2 299.375 -1.118 20 0 CAADLO Cc1nonc1C[NH2+][C@@H](CO)CNC(=O)c1ncc[nH]1 ZINC001425749042 890811008 /nfs/dbraw/zinc/81/10/08/890811008.db2.gz VJVDLWQONQSTDN-MRVPVSSYSA-N 1 2 280.288 -1.018 20 0 CAADLO Cc1c[nH]nc1C(=O)NC[C@H](CO)[NH2+]Cc1nnnn1C ZINC001425751616 890810934 /nfs/dbraw/zinc/81/09/34/890810934.db2.gz ZXKXCZBKEZIVDR-MRVPVSSYSA-N 1 2 294.319 -1.878 20 0 CAADLO Cc1nc(C(=O)NC[C@@H](CO)[NH2+]Cc2ncnn2C)co1 ZINC001425741879 890811080 /nfs/dbraw/zinc/81/10/80/890811080.db2.gz WJFYXTQDGNKHGV-VIFPVBQESA-N 1 2 294.315 -1.008 20 0 CAADLO Cc1c[nH]nc1C(=O)NC[C@@H](CO)[NH2+]Cc1nnnn1C ZINC001425751618 890811125 /nfs/dbraw/zinc/81/11/25/890811125.db2.gz ZXKXCZBKEZIVDR-QMMMGPOBSA-N 1 2 294.319 -1.878 20 0 CAADLO Cc1nnc(C[NH2+][C@@H](CO)CNC(=O)[C@H]2COCCO2)[nH]1 ZINC001425745815 890811757 /nfs/dbraw/zinc/81/17/57/890811757.db2.gz XLBZYIGCTRNKON-NXEZZACHSA-N 1 2 299.331 -1.905 20 0 CAADLO Cc1nnc(C[NH2+][C@@H](CO)CNC(=O)c2cncn2C)[nH]1 ZINC001425764275 890813676 /nfs/dbraw/zinc/81/36/76/890813676.db2.gz CNZCELHZPQAZFH-SECBINFHSA-N 1 2 293.331 -1.273 20 0 CAADLO COCC1(C(=O)NC[C@@H](CO)[NH2+]Cc2cnn(C)n2)CC1 ZINC001425772914 890817353 /nfs/dbraw/zinc/81/73/53/890817353.db2.gz FGKFKLWNRXWIQW-NSHDSACASA-N 1 2 297.359 -1.192 20 0 CAADLO CNC(=O)CN[C@H](CO)CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001425772755 890817585 /nfs/dbraw/zinc/81/75/85/890817585.db2.gz RQJUCMRACHLCFF-WDEREUQCSA-N 1 2 286.376 -1.717 20 0 CAADLO CNC(=O)CN[C@H](CO)CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001425772755 890817596 /nfs/dbraw/zinc/81/75/96/890817596.db2.gz RQJUCMRACHLCFF-WDEREUQCSA-N 1 2 286.376 -1.717 20 0 CAADLO COC1CC(C(=O)NC[C@H](CO)[NH2+]Cc2ncnn2C)C1 ZINC001425770932 890818343 /nfs/dbraw/zinc/81/83/43/890818343.db2.gz YXWLFZUXSHTDBT-HSOILSAZSA-N 1 2 297.359 -1.193 20 0 CAADLO COCC1(C(=O)NC[C@H](CO)[NH2+]Cc2cnn(C)n2)CC1 ZINC001425772907 890819217 /nfs/dbraw/zinc/81/92/17/890819217.db2.gz FGKFKLWNRXWIQW-LLVKDONJSA-N 1 2 297.359 -1.192 20 0 CAADLO Cc1conc1C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CNC(=O)N1 ZINC001425795757 890821140 /nfs/dbraw/zinc/82/11/40/890821140.db2.gz JYNLEIRENWSLKK-SCZZXKLOSA-N 1 2 297.315 -1.769 20 0 CAADLO Cc1conc1C[NH2+][C@H](CO)CNC(=O)[C@@H]1CNC(=O)N1 ZINC001425795767 890822950 /nfs/dbraw/zinc/82/29/50/890822950.db2.gz JYNLEIRENWSLKK-WPRPVWTQSA-N 1 2 297.315 -1.769 20 0 CAADLO Cn1cnnc1C[NH2+][C@H](CO)CNC(=O)c1ccncn1 ZINC001425819535 890823978 /nfs/dbraw/zinc/82/39/78/890823978.db2.gz IZCSTPQLDCDUEI-VIFPVBQESA-N 1 2 291.315 -1.514 20 0 CAADLO Cn1nnnc1C[NH2+][C@@H](CO)CNC(=O)c1nccs1 ZINC001425822697 890824281 /nfs/dbraw/zinc/82/42/81/890824281.db2.gz OIJIOXGBSIFPBB-SSDOTTSWSA-N 1 2 297.344 -1.453 20 0 CAADLO Cn1nnnc1C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CC12CC2 ZINC001425820180 890824959 /nfs/dbraw/zinc/82/49/59/890824959.db2.gz IHNAEVGWWYIHGO-BDAKNGLRSA-N 1 2 280.332 -1.423 20 0 CAADLO O=C(NC[C@@H](CO)[NH2+]Cc1nccs1)[C@@H]1CCC(=O)N1 ZINC001425838875 890827668 /nfs/dbraw/zinc/82/76/68/890827668.db2.gz KVEKAJJGPCPDTC-IUCAKERBSA-N 1 2 298.368 -1.012 20 0 CAADLO O=C(Cc1nc[nH]n1)NC[C@H](CO)[NH2+]Cc1ccon1 ZINC001425836913 890828377 /nfs/dbraw/zinc/82/83/77/890828377.db2.gz WNEUESNVJIQIHC-SECBINFHSA-N 1 2 280.288 -1.398 20 0 CAADLO Cn1cnnc1C[NH2+][C@@H](CO)CNC(=O)[C@]1(C)CCOC1 ZINC001425829823 890828508 /nfs/dbraw/zinc/82/85/08/890828508.db2.gz YMMRCOXTFKOSDU-ZWNOBZJWSA-N 1 2 297.359 -1.192 20 0 CAADLO Cn1ccnc1C[NH2+][C@@H](CO)CNC(=O)Cc1nc[nH]n1 ZINC001425838268 890828545 /nfs/dbraw/zinc/82/85/45/890828545.db2.gz YGYLXAACFCFKAK-SECBINFHSA-N 1 2 293.331 -1.652 20 0 CAADLO Cn1ccnc1C[NH2+][C@H](CO)CNC(=O)Cc1nc[nH]n1 ZINC001425838276 890829223 /nfs/dbraw/zinc/82/92/23/890829223.db2.gz YGYLXAACFCFKAK-VIFPVBQESA-N 1 2 293.331 -1.652 20 0 CAADLO CNC(=O)C[NH2+][C@@H](CO)CNC(=O)Cc1nnc[nH]1 ZINC001425830315 890829971 /nfs/dbraw/zinc/82/99/71/890829971.db2.gz LEFKOZJDVMYVSH-SSDOTTSWSA-N 1 2 270.293 -2.840 20 0 CAADLO Cn1nnnc1C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CC12CCC2 ZINC001425829619 890830406 /nfs/dbraw/zinc/83/04/06/890830406.db2.gz UGDGSHURPBGIKQ-ZJUUUORDSA-N 1 2 294.359 -1.033 20 0 CAADLO Cn1ncnc1CN[C@@H](CO)CNC(=O)Cn1cc[nH+]c1 ZINC001425851195 890833398 /nfs/dbraw/zinc/83/33/98/890833398.db2.gz SJOKKRACZMOKSY-SNVBAGLBSA-N 1 2 293.331 -1.722 20 0 CAADLO CNC(=O)C[NH2+][C@H]1CN(C(=O)Cc2ncn[nH]2)CC1(C)C ZINC001425975726 890839611 /nfs/dbraw/zinc/83/96/11/890839611.db2.gz RIYFEFQMTCPIJG-VIFPVBQESA-N 1 2 294.359 -1.080 20 0 CAADLO CNC(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)c1ccn[nH]1 ZINC001426065602 890848736 /nfs/dbraw/zinc/84/87/36/890848736.db2.gz ZWHQOCNRJKWPFR-VIFPVBQESA-N 1 2 283.332 -1.480 20 0 CAADLO CNC(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)c1ccn[nH]1 ZINC001426065602 890848750 /nfs/dbraw/zinc/84/87/50/890848750.db2.gz ZWHQOCNRJKWPFR-VIFPVBQESA-N 1 2 283.332 -1.480 20 0 CAADLO CC(C)N(CC[N@H+](C)CC(N)=O)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001426119759 890853433 /nfs/dbraw/zinc/85/34/33/890853433.db2.gz UYZOUYQDHNYCCS-ZJUUUORDSA-N 1 2 284.360 -1.238 20 0 CAADLO CC(C)N(CC[N@@H+](C)CC(N)=O)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001426119759 890853440 /nfs/dbraw/zinc/85/34/40/890853440.db2.gz UYZOUYQDHNYCCS-ZJUUUORDSA-N 1 2 284.360 -1.238 20 0 CAADLO CNC(=O)c1n[nH]nc1NC(=O)N1CC[NH+](CCO)CC1 ZINC001426249041 890858512 /nfs/dbraw/zinc/85/85/12/890858512.db2.gz XAHORGJAPLPLBD-UHFFFAOYSA-N 1 2 297.319 -1.694 20 0 CAADLO CO[C@@H](C)C(=O)N[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1O ZINC001426646638 890864333 /nfs/dbraw/zinc/86/43/33/890864333.db2.gz UMGQEGYZJUKCRP-GDPRMGEGSA-N 1 2 296.327 -1.325 20 0 CAADLO COCC(=O)N[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C[C@H]1O ZINC001427078809 890868681 /nfs/dbraw/zinc/86/86/81/890868681.db2.gz AIAIVQVJYRLJGD-GHMZBOCLSA-N 1 2 296.327 -1.393 20 0 CAADLO Nc1[nH+]cccc1CNC(=O)NCCN1CCNC(=O)C1 ZINC001427350510 890870975 /nfs/dbraw/zinc/87/09/75/890870975.db2.gz ZZQKMODKXRLCLQ-UHFFFAOYSA-N 1 2 292.343 -1.105 20 0 CAADLO CO[C@@H](C)C(=O)NC[C@H](CO)NC(=O)Cc1c[nH+]cn1C ZINC001427756556 890884767 /nfs/dbraw/zinc/88/47/67/890884767.db2.gz FEGHYTSZRNKDKM-VHSXEESVSA-N 1 2 298.343 -1.409 20 0 CAADLO O=C(Cc1c[nH]c[nH+]1)N[C@@H](CO)CNC(=O)[C@@H]1CCOC1 ZINC001427762624 890885028 /nfs/dbraw/zinc/88/50/28/890885028.db2.gz HAFDGKVNZGQYJD-MWLCHTKSSA-N 1 2 296.327 -1.418 20 0 CAADLO CO[C@H](C)C(=O)NC[C@@H](CO)NC(=O)Cc1c[nH+]cn1C ZINC001427756559 890886065 /nfs/dbraw/zinc/88/60/65/890886065.db2.gz FEGHYTSZRNKDKM-ZJUUUORDSA-N 1 2 298.343 -1.409 20 0 CAADLO O=C(Cc1c[nH]c[nH+]1)N[C@@H](CO)CNC(=O)[C@H]1CCOC1 ZINC001427762621 890886161 /nfs/dbraw/zinc/88/61/61/890886161.db2.gz HAFDGKVNZGQYJD-GXSJLCMTSA-N 1 2 296.327 -1.418 20 0 CAADLO CC(C)[C@@H](O)C(=O)NC[C@H](CO)NC(=O)Cc1c[nH]c[nH+]1 ZINC001427800762 890891121 /nfs/dbraw/zinc/89/11/21/890891121.db2.gz XSJALZUTDDMGRK-ZYHUDNBSSA-N 1 2 298.343 -1.438 20 0 CAADLO COCCC(=O)N[C@H](CO)CNC(=O)Cn1cc[nH+]c1 ZINC001427854624 890893393 /nfs/dbraw/zinc/89/33/93/890893393.db2.gz TWVPIYKOIJKGKA-JTQLQIEISA-N 1 2 284.316 -1.487 20 0 CAADLO CO[C@H](C)C(=O)N[C@H](CO)CNC(=O)Cc1c[nH+]cn1C ZINC001427904862 890897722 /nfs/dbraw/zinc/89/77/22/890897722.db2.gz ZVKIEAGMCRBHCP-ZJUUUORDSA-N 1 2 298.343 -1.409 20 0 CAADLO COCC(=O)N[C@@H](CO)CNC(=O)Cc1c[nH+]cn1C ZINC001427891352 890898775 /nfs/dbraw/zinc/89/87/75/890898775.db2.gz IECRAQGPGBHUOJ-SECBINFHSA-N 1 2 284.316 -1.798 20 0 CAADLO COCC(=O)N(C)C[C@@H](O)CNC(=O)CCc1[nH]cc[nH+]1 ZINC001428140697 890905978 /nfs/dbraw/zinc/90/59/78/890905978.db2.gz DLWOMGUATKOQAC-JTQLQIEISA-N 1 2 298.343 -1.076 20 0 CAADLO Cn1c(CNC(=O)NCC[N@@H+]2CC[C@@H](O)C2)n[nH]c1=O ZINC001428165290 890907053 /nfs/dbraw/zinc/90/70/53/890907053.db2.gz AWKRETNCGBPINJ-MRVPVSSYSA-N 1 2 284.320 -1.614 20 0 CAADLO Cn1c(CNC(=O)NCC[N@H+]2CC[C@@H](O)C2)n[nH]c1=O ZINC001428165290 890907063 /nfs/dbraw/zinc/90/70/63/890907063.db2.gz AWKRETNCGBPINJ-MRVPVSSYSA-N 1 2 284.320 -1.614 20 0 CAADLO CCOCC(=O)N(C)C[C@@H](O)CNC(=O)Cn1cc[nH+]c1 ZINC001428153802 890907276 /nfs/dbraw/zinc/90/72/76/890907276.db2.gz FUIDMRGMGUZYER-NSHDSACASA-N 1 2 298.343 -1.145 20 0 CAADLO CC(=O)NCC(=O)N[C@H]1C[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001428169691 890910142 /nfs/dbraw/zinc/91/01/42/890910142.db2.gz PCLSMBRAKITOCV-MGCOHNPYSA-N 1 2 293.327 -1.148 20 0 CAADLO C[C@@H](CNC(=O)c1cn[nH]n1)NC(=O)Cn1cc[nH+]c1 ZINC001428697962 890922755 /nfs/dbraw/zinc/92/27/55/890922755.db2.gz DNQGCLOCCNVDIR-QMMMGPOBSA-N 1 2 277.288 -1.064 20 0 CAADLO COCCC(=O)N1C[C@@H](O)[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001428801545 890923940 /nfs/dbraw/zinc/92/39/40/890923940.db2.gz FYKUPPUTSVYBOZ-NXEZZACHSA-N 1 2 296.327 -1.323 20 0 CAADLO COCCC(=O)N1C[C@@H](NC(=O)Cc2[nH]cc[nH+]2)[C@@H](O)C1 ZINC001428925820 890931083 /nfs/dbraw/zinc/93/10/83/890931083.db2.gz FYKUPPUTSVYBOZ-ZJUUUORDSA-N 1 2 296.327 -1.323 20 0 CAADLO CN(CCNC(=O)c1cnnn1C)C(=O)Cn1cc[nH+]c1 ZINC001429233808 890932965 /nfs/dbraw/zinc/93/29/65/890932965.db2.gz DZXZEEXQUQSRGX-UHFFFAOYSA-N 1 2 291.315 -1.100 20 0 CAADLO CN(CCNC(=O)c1cn[nH]n1)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001429351070 890935195 /nfs/dbraw/zinc/93/51/95/890935195.db2.gz CRAHSNJZNABHKC-JTQLQIEISA-N 1 2 296.331 -1.677 20 0 CAADLO CN(CCNC(=O)c1cn[nH]n1)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001429351070 890935201 /nfs/dbraw/zinc/93/52/01/890935201.db2.gz CRAHSNJZNABHKC-JTQLQIEISA-N 1 2 296.331 -1.677 20 0 CAADLO CN(CCNC(=O)c1cn[nH]n1)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001429351074 890936290 /nfs/dbraw/zinc/93/62/90/890936290.db2.gz CRAHSNJZNABHKC-SNVBAGLBSA-N 1 2 296.331 -1.677 20 0 CAADLO CN(CCNC(=O)c1cn[nH]n1)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001429351074 890936305 /nfs/dbraw/zinc/93/63/05/890936305.db2.gz CRAHSNJZNABHKC-SNVBAGLBSA-N 1 2 296.331 -1.677 20 0 CAADLO CN(CCNC(=O)Cc1c[nH]c[nH+]1)C(=O)[C@H]1CCC(=O)N1 ZINC001429519252 890941300 /nfs/dbraw/zinc/94/13/00/890941300.db2.gz LLCSEAZSDVOPEZ-SNVBAGLBSA-N 1 2 293.327 -1.195 20 0 CAADLO CC(=O)N(C)CC(=O)NC1CN(C(=O)Cn2cc[nH+]c2)C1 ZINC001430152472 890945623 /nfs/dbraw/zinc/94/56/23/890945623.db2.gz STRMZEOOSKIZOA-UHFFFAOYSA-N 1 2 293.327 -1.312 20 0 CAADLO NC(=O)NCCC(=O)NC1CN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001430188103 890947868 /nfs/dbraw/zinc/94/78/68/890947868.db2.gz AGJNFXOKKDZMOV-UHFFFAOYSA-N 1 2 294.315 -1.662 20 0 CAADLO NC(=O)NCC(=O)N1CC(NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001430232232 890950027 /nfs/dbraw/zinc/95/00/27/890950027.db2.gz VSRAZXUKMXQSKY-UHFFFAOYSA-N 1 2 294.315 -1.662 20 0 CAADLO NC(=O)NCC(=O)N1CC(NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001430232232 890950042 /nfs/dbraw/zinc/95/00/42/890950042.db2.gz VSRAZXUKMXQSKY-UHFFFAOYSA-N 1 2 294.315 -1.662 20 0 CAADLO COC[C@@H](OC)C(=O)NC1CN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001430297664 890950299 /nfs/dbraw/zinc/95/02/99/890950299.db2.gz CULYUKFWFXDZMH-LLVKDONJSA-N 1 2 296.327 -1.059 20 0 CAADLO NC(=O)NCC(=O)N1CC(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001430385095 890953058 /nfs/dbraw/zinc/95/30/58/890953058.db2.gz DUPQHUIOLDTRKI-UHFFFAOYSA-N 1 2 294.315 -1.874 20 0 CAADLO C[C@@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)NC(=O)c1cn[nH]n1 ZINC001430484728 890955880 /nfs/dbraw/zinc/95/58/80/890955880.db2.gz OYXWSHAZJKYXGN-WPRPVWTQSA-N 1 2 296.331 -1.630 20 0 CAADLO C[C@@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)NC(=O)c1cn[nH]n1 ZINC001430484728 890955897 /nfs/dbraw/zinc/95/58/97/890955897.db2.gz OYXWSHAZJKYXGN-WPRPVWTQSA-N 1 2 296.331 -1.630 20 0 CAADLO C[C@H](CNC(=O)Cn1cc[nH+]c1)NC(=O)[C@@H]1CCC(=O)N1 ZINC001430627171 890959432 /nfs/dbraw/zinc/95/94/32/890959432.db2.gz KNHBNMIULMZNGM-ZJUUUORDSA-N 1 2 293.327 -1.217 20 0 CAADLO C[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)NC(=O)[C@H]1CCC(=O)N1 ZINC001430746055 890959701 /nfs/dbraw/zinc/95/97/01/890959701.db2.gz VTJRGGDNCQOFEJ-DTWKUNHWSA-N 1 2 293.327 -1.148 20 0 CAADLO C[C@H](CNC(=O)Cn1cncn1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001430788100 890960397 /nfs/dbraw/zinc/96/03/97/890960397.db2.gz CNURLTPIGIVLAK-SECBINFHSA-N 1 2 291.315 -1.135 20 0 CAADLO CC(=O)NCC(=O)NC[C@@H](C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001430961811 890962372 /nfs/dbraw/zinc/96/23/72/890962372.db2.gz TZTOMTPIQQRQGR-VIFPVBQESA-N 1 2 295.343 -1.043 20 0 CAADLO CN(CCNC(=O)[C@H]1COCCO1)C(=O)Cc1c[nH+]c[nH]1 ZINC001431138421 890964257 /nfs/dbraw/zinc/96/42/57/890964257.db2.gz ZEYXZAKZMMBLFL-LLVKDONJSA-N 1 2 296.327 -1.058 20 0 CAADLO CN(CCNC(=O)[C@@H]1COCCO1)C(=O)Cc1[nH]cc[nH+]1 ZINC001431137524 890964381 /nfs/dbraw/zinc/96/43/81/890964381.db2.gz RRFNISFHCIBXIH-JTQLQIEISA-N 1 2 296.327 -1.058 20 0 CAADLO CN(CCNC(=O)Cn1cnnn1)C(=O)Cc1[nH]cc[nH+]1 ZINC001431130476 890964648 /nfs/dbraw/zinc/96/46/48/890964648.db2.gz FIBXXJJPNOKWFJ-UHFFFAOYSA-N 1 2 292.303 -1.787 20 0 CAADLO CN(CCNC(=O)[C@H]1COCCO1)C(=O)Cc1[nH]cc[nH+]1 ZINC001431137525 890965987 /nfs/dbraw/zinc/96/59/87/890965987.db2.gz RRFNISFHCIBXIH-SNVBAGLBSA-N 1 2 296.327 -1.058 20 0 CAADLO CN(CCNC(=O)CCc1c[nH]c[nH+]1)C(=O)CNC(N)=O ZINC001431315071 890966602 /nfs/dbraw/zinc/96/66/02/890966602.db2.gz IAMNJYGJUYDHJP-UHFFFAOYSA-N 1 2 296.331 -1.415 20 0 CAADLO CN(CCNC(=O)CCc1c[nH+]c[nH]1)C(=O)CNC(N)=O ZINC001431315071 890966615 /nfs/dbraw/zinc/96/66/15/890966615.db2.gz IAMNJYGJUYDHJP-UHFFFAOYSA-N 1 2 296.331 -1.415 20 0 CAADLO CN(CCNC(=O)Cn1cc[nH+]c1)C(=O)CNC(N)=O ZINC001431338971 890966929 /nfs/dbraw/zinc/96/69/29/890966929.db2.gz ZFRDUCCHKUCQRU-UHFFFAOYSA-N 1 2 282.304 -1.874 20 0 CAADLO CN(CCNC(=O)Cn1cc[nH+]c1)C(=O)c1cn[nH]n1 ZINC001431338204 890967157 /nfs/dbraw/zinc/96/71/57/890967157.db2.gz SKRKGDTZBYUPFZ-UHFFFAOYSA-N 1 2 277.288 -1.110 20 0 CAADLO CN(CCNC(=O)c1cnn(C)n1)C(=O)Cn1cc[nH+]c1 ZINC001431369756 890968097 /nfs/dbraw/zinc/96/80/97/890968097.db2.gz CJOWUQXGKWOPCH-UHFFFAOYSA-N 1 2 291.315 -1.100 20 0 CAADLO COCCC(=O)NC[C@H](O)CNC(=O)Cc1[nH]c[nH+]c1C ZINC001431454225 890972064 /nfs/dbraw/zinc/97/20/64/890972064.db2.gz FYCVQSMRSFJGIA-JTQLQIEISA-N 1 2 298.343 -1.110 20 0 CAADLO CO[C@@H](C)CC(=O)NC[C@@H](O)CNC(=O)Cn1cc[nH+]c1 ZINC001431495070 890978866 /nfs/dbraw/zinc/97/88/66/890978866.db2.gz MVPXGZUVNOJOKK-WDEREUQCSA-N 1 2 298.343 -1.099 20 0 CAADLO O=C(Cn1cc[nH+]c1)NC[C@@H](O)CNC(=O)c1cn[nH]c1 ZINC001431496696 890979592 /nfs/dbraw/zinc/97/95/92/890979592.db2.gz SNQNZQQDROYDCM-SNVBAGLBSA-N 1 2 292.299 -1.487 20 0 CAADLO CCO[C@@H](C)C(=O)NC[C@H](O)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001431496667 890980396 /nfs/dbraw/zinc/98/03/96/890980396.db2.gz MIGXKSSNTLULMX-GXSJLCMTSA-N 1 2 298.343 -1.030 20 0 CAADLO CC(C)OCC(=O)NC[C@@H](O)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001431505581 890980431 /nfs/dbraw/zinc/98/04/31/890980431.db2.gz MOOFHZNDLUKPIG-JTQLQIEISA-N 1 2 298.343 -1.030 20 0 CAADLO CN(CCNC(=O)Cc1nc[nH]n1)C(=O)Cc1c[nH+]c[nH]1 ZINC001431554412 890982695 /nfs/dbraw/zinc/98/26/95/890982695.db2.gz GIXYCHPKHFRLMR-UHFFFAOYSA-N 1 2 291.315 -1.112 20 0 CAADLO CN(CCNC(=O)Cc1c[nH]c[nH+]1)C(=O)[C@H]1COCCO1 ZINC001431554684 890982759 /nfs/dbraw/zinc/98/27/59/890982759.db2.gz CZMPXVYJKRSKAN-LLVKDONJSA-N 1 2 296.327 -1.058 20 0 CAADLO C[C@@H](CNC(=O)Cn1nccn1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001431896432 890990970 /nfs/dbraw/zinc/99/09/70/890990970.db2.gz NFYFFNOEUUQBPB-VIFPVBQESA-N 1 2 291.315 -1.135 20 0 CAADLO CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC(NC(C)=O)C1 ZINC001432183914 890992872 /nfs/dbraw/zinc/99/28/72/890992872.db2.gz KSEIFDPVGZLNMG-LBPRGKRZSA-N 1 2 293.327 -1.196 20 0 CAADLO CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC(NC(C)=O)C1 ZINC001432183914 890992860 /nfs/dbraw/zinc/99/28/60/890992860.db2.gz KSEIFDPVGZLNMG-LBPRGKRZSA-N 1 2 293.327 -1.196 20 0 CAADLO CC(=O)NCC(=O)N1CC[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001432049553 890993414 /nfs/dbraw/zinc/99/34/14/890993414.db2.gz PSLOYVRMFGHAOQ-NSHDSACASA-N 1 2 293.327 -1.264 20 0 CAADLO NC(=O)CCCC(=O)NC1CN(C(=O)Cn2cc[nH+]c2)C1 ZINC001432281213 890999494 /nfs/dbraw/zinc/99/94/94/890999494.db2.gz DEHUHCZFVJDEJE-UHFFFAOYSA-N 1 2 293.327 -1.134 20 0 CAADLO CC(=O)NCC(=O)NCC1CN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001432366589 891003318 /nfs/dbraw/zinc/00/33/18/891003318.db2.gz UZBSOVIWECEGBR-UHFFFAOYSA-N 1 2 293.327 -1.337 20 0 CAADLO COCC(=O)NC[C@@]1(O)CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001432773820 891009005 /nfs/dbraw/zinc/00/90/05/891009005.db2.gz ICPOHQNSIUOYGV-ZDUSSCGKSA-N 1 2 296.327 -1.391 20 0 CAADLO CO[C@H](C)C(=O)NC[C@H](O)CNC(=O)Cc1[nH]c[nH+]c1C ZINC001433263297 891023321 /nfs/dbraw/zinc/02/33/21/891023321.db2.gz ZWTFKSYYSBOJRS-NXEZZACHSA-N 1 2 298.343 -1.111 20 0 CAADLO CO[C@@H](C)C(=O)NC[C@H](O)CNC(=O)Cc1[nH]c[nH+]c1C ZINC001433263302 891023611 /nfs/dbraw/zinc/02/36/11/891023611.db2.gz ZWTFKSYYSBOJRS-VHSXEESVSA-N 1 2 298.343 -1.111 20 0 CAADLO CO[C@@H](C)C(=O)NC[C@@H](O)CNC(=O)CCc1c[nH]c[nH+]1 ZINC001433256762 891024070 /nfs/dbraw/zinc/02/40/70/891024070.db2.gz NGZYQRQBDHFHKP-ONGXEEELSA-N 1 2 298.343 -1.030 20 0 CAADLO CO[C@@H](C)C(=O)NC[C@@H](O)CNC(=O)CCc1c[nH+]c[nH]1 ZINC001433256762 891024078 /nfs/dbraw/zinc/02/40/78/891024078.db2.gz NGZYQRQBDHFHKP-ONGXEEELSA-N 1 2 298.343 -1.030 20 0 CAADLO CC(C)[C@@H](O)C(=O)NC[C@H](O)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001433281390 891024891 /nfs/dbraw/zinc/02/48/91/891024891.db2.gz NDDBPDHBWLDRES-ZYHUDNBSSA-N 1 2 298.343 -1.438 20 0 CAADLO C[C@H](CNC(=O)Cc1[nH]cc[nH+]1)NC(=O)Cn1cnnn1 ZINC001433352249 891026723 /nfs/dbraw/zinc/02/67/23/891026723.db2.gz DPPLUGVJSFDNDZ-MRVPVSSYSA-N 1 2 292.303 -1.740 20 0 CAADLO O=C(Cn1cc[nH+]c1)NC[C@H](O)CNC(=O)c1cnco1 ZINC001433314758 891026759 /nfs/dbraw/zinc/02/67/59/891026759.db2.gz IMXHSDJDPDKGBR-VIFPVBQESA-N 1 2 293.283 -1.222 20 0 CAADLO C[C@H](CNC(=O)Cn1cc[nH+]c1)NC(=O)[C@H]1CNC(=O)N1 ZINC001433487386 891032084 /nfs/dbraw/zinc/03/20/84/891032084.db2.gz MJHONFYVAOXJDJ-RKDXNWHRSA-N 1 2 294.315 -1.815 20 0 CAADLO C[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)NC(=O)[C@H]1COCCO1 ZINC001433515396 891036336 /nfs/dbraw/zinc/03/63/36/891036336.db2.gz JFDJOVPCPMCNBY-VHSXEESVSA-N 1 2 296.327 -1.012 20 0 CAADLO C[NH+]1CCN(C(=O)c2c[nH]nc2S(N)(=O)=O)CC1 ZINC001433588545 891038478 /nfs/dbraw/zinc/03/84/78/891038478.db2.gz ITMMVNSEGJOMFD-UHFFFAOYSA-N 1 2 273.318 -1.555 20 0 CAADLO C[C@@H](NC(=O)Cn1cnnn1)C(=O)NCCn1cc[nH+]c1 ZINC001433609136 891038633 /nfs/dbraw/zinc/03/86/33/891038633.db2.gz KTBUSVQKLYLRIR-SECBINFHSA-N 1 2 292.303 -1.809 20 0 CAADLO C[C@@H]1OC(=O)N[C@@H]1C(=O)N[C@@H]1CCC[N@H+](CC(N)=O)C1 ZINC001433662909 891042505 /nfs/dbraw/zinc/04/25/05/891042505.db2.gz CBDGYOHEUMEKMQ-XKSSXDPKSA-N 1 2 284.316 -1.451 20 0 CAADLO C[C@@H]1OC(=O)N[C@@H]1C(=O)N[C@@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001433662909 891042515 /nfs/dbraw/zinc/04/25/15/891042515.db2.gz CBDGYOHEUMEKMQ-XKSSXDPKSA-N 1 2 284.316 -1.451 20 0 CAADLO CC(C)(O)[C@H](O)C(=O)N[C@@H]1CCC[N@H+](CC(N)=O)C1 ZINC001433665035 891043249 /nfs/dbraw/zinc/04/32/49/891043249.db2.gz NJQXDNXDRRZFIQ-PSASIEDQSA-N 1 2 273.333 -1.816 20 0 CAADLO CC(C)(O)[C@H](O)C(=O)N[C@@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001433665035 891043256 /nfs/dbraw/zinc/04/32/56/891043256.db2.gz NJQXDNXDRRZFIQ-PSASIEDQSA-N 1 2 273.333 -1.816 20 0 CAADLO C[C@@H]1OC(=O)N[C@H]1C(=O)N[C@H]1CCC[N@H+](CC(N)=O)C1 ZINC001433662904 891044511 /nfs/dbraw/zinc/04/45/11/891044511.db2.gz CBDGYOHEUMEKMQ-OYNCUSHFSA-N 1 2 284.316 -1.451 20 0 CAADLO C[C@@H]1OC(=O)N[C@H]1C(=O)N[C@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001433662904 891044518 /nfs/dbraw/zinc/04/45/18/891044518.db2.gz CBDGYOHEUMEKMQ-OYNCUSHFSA-N 1 2 284.316 -1.451 20 0 CAADLO C[C@H]1CN(C(=O)c2c[nH]nc2S(N)(=O)=O)CC[N@@H+]1C ZINC001433701074 891045920 /nfs/dbraw/zinc/04/59/20/891045920.db2.gz NQEFPGIXZJELBG-ZETCQYMHSA-N 1 2 287.345 -1.167 20 0 CAADLO C[C@H]1CN(C(=O)c2c[nH]nc2S(N)(=O)=O)CC[N@H+]1C ZINC001433701074 891045930 /nfs/dbraw/zinc/04/59/30/891045930.db2.gz NQEFPGIXZJELBG-ZETCQYMHSA-N 1 2 287.345 -1.167 20 0 CAADLO O=C(CN1CCOCC1=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC001433992466 891069910 /nfs/dbraw/zinc/06/99/10/891069910.db2.gz LSZZIVFBYYWWRL-TXEJJXNPSA-N 1 2 297.355 -1.175 20 0 CAADLO O=C(CN1CCOCC1=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC001433992466 891069926 /nfs/dbraw/zinc/06/99/26/891069926.db2.gz LSZZIVFBYYWWRL-TXEJJXNPSA-N 1 2 297.355 -1.175 20 0 CAADLO COCC(COC)[NH+]1CCN(C(=O)Cn2cnnn2)CC1 ZINC001434090453 891076650 /nfs/dbraw/zinc/07/66/50/891076650.db2.gz VLUKHYZCPXHIDG-UHFFFAOYSA-N 1 2 298.347 -1.521 20 0 CAADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@H](C(N)=O)[C@H](C(N)=O)C1 ZINC001434232259 891089756 /nfs/dbraw/zinc/08/97/56/891089756.db2.gz XVZDKPWKSPJMST-QNSHHTMESA-N 1 2 293.327 -1.367 20 0 CAADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@H](C(N)=O)[C@H](C(N)=O)C1 ZINC001434232259 891089768 /nfs/dbraw/zinc/08/97/68/891089768.db2.gz XVZDKPWKSPJMST-QNSHHTMESA-N 1 2 293.327 -1.367 20 0 CAADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@@H](C(N)=O)[C@H](C(N)=O)C1 ZINC001434232260 891090036 /nfs/dbraw/zinc/09/00/36/891090036.db2.gz XVZDKPWKSPJMST-SZEHBUNVSA-N 1 2 293.327 -1.367 20 0 CAADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@@H](C(N)=O)[C@H](C(N)=O)C1 ZINC001434232260 891090049 /nfs/dbraw/zinc/09/00/49/891090049.db2.gz XVZDKPWKSPJMST-SZEHBUNVSA-N 1 2 293.327 -1.367 20 0 CAADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@H](C(N)=O)[C@H](C(N)=O)C1 ZINC001434232261 891090189 /nfs/dbraw/zinc/09/01/89/891090189.db2.gz XVZDKPWKSPJMST-UJNFCWOMSA-N 1 2 293.327 -1.367 20 0 CAADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@H](C(N)=O)[C@H](C(N)=O)C1 ZINC001434232261 891090200 /nfs/dbraw/zinc/09/02/00/891090200.db2.gz XVZDKPWKSPJMST-UJNFCWOMSA-N 1 2 293.327 -1.367 20 0 CAADLO CC(=O)N[C@@H](CC(=O)N[C@H](CO)c1c[nH+]cn1C)C(N)=O ZINC001434222640 891090707 /nfs/dbraw/zinc/09/07/07/891090707.db2.gz GFVZNWXYXXUPDF-DTWKUNHWSA-N 1 2 297.315 -2.050 20 0 CAADLO CC(=O)NCC(=O)NCC(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC001434225901 891091030 /nfs/dbraw/zinc/09/10/30/891091030.db2.gz RSJHFRYODCRKCP-SECBINFHSA-N 1 2 279.300 -1.304 20 0 CAADLO COC(=O)COCC(=O)N[C@@H](CO)c1c[nH+]cn1C ZINC001434231590 891091631 /nfs/dbraw/zinc/09/16/31/891091631.db2.gz UCPXXZZLDZCSCK-QMMMGPOBSA-N 1 2 271.273 -1.241 20 0 CAADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@H](C(N)=O)[C@@H](C(N)=O)C1 ZINC001434232258 891091840 /nfs/dbraw/zinc/09/18/40/891091840.db2.gz XVZDKPWKSPJMST-JEZHCXPESA-N 1 2 293.327 -1.367 20 0 CAADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@H](C(N)=O)[C@@H](C(N)=O)C1 ZINC001434232258 891091850 /nfs/dbraw/zinc/09/18/50/891091850.db2.gz XVZDKPWKSPJMST-JEZHCXPESA-N 1 2 293.327 -1.367 20 0 CAADLO O=C(NCC[N@H+]1CC[C@@H](O)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001434276487 891096030 /nfs/dbraw/zinc/09/60/30/891096030.db2.gz OJQURZJDOQLFIL-NXEZZACHSA-N 1 2 276.358 -1.396 20 0 CAADLO O=C(NCC[N@@H+]1CC[C@@H](O)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001434276487 891096047 /nfs/dbraw/zinc/09/60/47/891096047.db2.gz OJQURZJDOQLFIL-NXEZZACHSA-N 1 2 276.358 -1.396 20 0 CAADLO CNS(=O)(=O)NCC(=O)N1CCc2cc[nH+]c(N)c2C1 ZINC001434254687 891096078 /nfs/dbraw/zinc/09/60/78/891096078.db2.gz BGKMLCPAOROJCL-UHFFFAOYSA-N 1 2 299.356 -1.398 20 0 CAADLO Cn1cnn(CCC(=O)N[C@H](CO)Cc2c[nH]c[nH+]2)c1=O ZINC001434302537 891099520 /nfs/dbraw/zinc/09/95/20/891099520.db2.gz UWUQNRCQZQSTRM-JTQLQIEISA-N 1 2 294.315 -1.585 20 0 CAADLO Cn1cnn(CCC(=O)N[C@H](CO)Cc2c[nH+]c[nH]2)c1=O ZINC001434302537 891099534 /nfs/dbraw/zinc/09/95/34/891099534.db2.gz UWUQNRCQZQSTRM-JTQLQIEISA-N 1 2 294.315 -1.585 20 0 CAADLO O=C(N[C@H](CO)Cc1c[nH]c[nH+]1)[C@@H]1CCS(=O)(=O)N1 ZINC001434300267 891100143 /nfs/dbraw/zinc/10/01/43/891100143.db2.gz KAIACFIGTBNPTK-IUCAKERBSA-N 1 2 288.329 -1.879 20 0 CAADLO O=C(N[C@H](CO)Cc1c[nH+]c[nH]1)[C@@H]1CCS(=O)(=O)N1 ZINC001434300267 891100149 /nfs/dbraw/zinc/10/01/49/891100149.db2.gz KAIACFIGTBNPTK-IUCAKERBSA-N 1 2 288.329 -1.879 20 0 CAADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CN(C)C(=O)OC ZINC001434338730 891103988 /nfs/dbraw/zinc/10/39/88/891103988.db2.gz JALIHTBYGILGGR-VIFPVBQESA-N 1 2 297.315 -1.119 20 0 CAADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CN(C)C(=O)OC ZINC001434338730 891103993 /nfs/dbraw/zinc/10/39/93/891103993.db2.gz JALIHTBYGILGGR-VIFPVBQESA-N 1 2 297.315 -1.119 20 0 CAADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H](C)CC(N)=O ZINC001434335880 891104411 /nfs/dbraw/zinc/10/44/11/891104411.db2.gz AEWDBCCYWKYHGH-APPZFPTMSA-N 1 2 281.316 -1.306 20 0 CAADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H](C)CC(N)=O ZINC001434335880 891104417 /nfs/dbraw/zinc/10/44/17/891104417.db2.gz AEWDBCCYWKYHGH-APPZFPTMSA-N 1 2 281.316 -1.306 20 0 CAADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1cc(=O)[nH]cn1 ZINC001434338293 891104607 /nfs/dbraw/zinc/10/46/07/891104607.db2.gz FXYFCQSAWSZXJT-VIFPVBQESA-N 1 2 290.283 -1.008 20 0 CAADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1cc(=O)[nH]cn1 ZINC001434338293 891104613 /nfs/dbraw/zinc/10/46/13/891104613.db2.gz FXYFCQSAWSZXJT-VIFPVBQESA-N 1 2 290.283 -1.008 20 0 CAADLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)[C@@H](CO)NC(N)=O ZINC001434370616 891108585 /nfs/dbraw/zinc/10/85/85/891108585.db2.gz NKMVATJJWNPDMM-VHSXEESVSA-N 1 2 288.348 -1.757 20 0 CAADLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)[C@H](CO)NC(N)=O ZINC001434370614 891109757 /nfs/dbraw/zinc/10/97/57/891109757.db2.gz NKMVATJJWNPDMM-UWVGGRQHSA-N 1 2 288.348 -1.757 20 0 CAADLO COC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001434387089 891111070 /nfs/dbraw/zinc/11/10/70/891111070.db2.gz PJYHHTYRZYMBHI-BDAKNGLRSA-N 1 2 295.299 -1.366 20 0 CAADLO COC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001434387089 891111079 /nfs/dbraw/zinc/11/10/79/891111079.db2.gz PJYHHTYRZYMBHI-BDAKNGLRSA-N 1 2 295.299 -1.366 20 0 CAADLO O=C(NC[C@@H](O)CO)c1cccn1CC[NH+]1CCOCC1 ZINC001434401972 891113892 /nfs/dbraw/zinc/11/38/92/891113892.db2.gz NAYFDKGTETYPDO-GFCCVEGCSA-N 1 2 297.355 -1.097 20 0 CAADLO NC(=O)CN1CC[N@H+](C[C@H]2CCNC(=O)CC2)CC1=O ZINC001434472554 891120219 /nfs/dbraw/zinc/12/02/19/891120219.db2.gz LKBYGRUPUWSIKK-SNVBAGLBSA-N 1 2 282.344 -1.468 20 0 CAADLO NC(=O)CN1CC[N@@H+](C[C@H]2CCNC(=O)CC2)CC1=O ZINC001434472554 891120220 /nfs/dbraw/zinc/12/02/20/891120220.db2.gz LKBYGRUPUWSIKK-SNVBAGLBSA-N 1 2 282.344 -1.468 20 0 CAADLO CCOc1nnc(C[NH+]2C[C@H](C(N)=O)[C@@H](C(N)=O)C2)s1 ZINC001434482265 891120320 /nfs/dbraw/zinc/12/03/20/891120320.db2.gz IUVHBVNBYWVUFX-BQBZGAKWSA-N 1 2 299.356 -1.045 20 0 CAADLO C[N@@H+](Cc1cc(=O)n2[nH]c(N)nc2n1)[C@H]1C[C@@H](C(N)=O)C1 ZINC001434481864 891120345 /nfs/dbraw/zinc/12/03/45/891120345.db2.gz MQALTHYPVVXRFV-WRXNHJIOSA-N 1 2 291.315 -1.305 20 0 CAADLO CCOc1nnc(C[N@@H+]2C[C@H](C(N)=O)[C@H](C(N)=O)C2)s1 ZINC001434482269 891120452 /nfs/dbraw/zinc/12/04/52/891120452.db2.gz IUVHBVNBYWVUFX-KNVOCYPGSA-N 1 2 299.356 -1.045 20 0 CAADLO CCOc1nnc(C[N@H+]2C[C@H](C(N)=O)[C@H](C(N)=O)C2)s1 ZINC001434482269 891120461 /nfs/dbraw/zinc/12/04/61/891120461.db2.gz IUVHBVNBYWVUFX-KNVOCYPGSA-N 1 2 299.356 -1.045 20 0 CAADLO NC(=O)CN1CC[N@H+](C[C@@H]2CCNC(=O)CC2)CC1=O ZINC001434472552 891120848 /nfs/dbraw/zinc/12/08/48/891120848.db2.gz LKBYGRUPUWSIKK-JTQLQIEISA-N 1 2 282.344 -1.468 20 0 CAADLO NC(=O)CN1CC[N@@H+](C[C@@H]2CCNC(=O)CC2)CC1=O ZINC001434472552 891120857 /nfs/dbraw/zinc/12/08/57/891120857.db2.gz LKBYGRUPUWSIKK-JTQLQIEISA-N 1 2 282.344 -1.468 20 0 CAADLO Nc1nc2nc(C[N@H+]3C[C@@H]4C(=O)OC[C@@H]4C3)cc(=O)n2[nH]1 ZINC001434479627 891122017 /nfs/dbraw/zinc/12/20/17/891122017.db2.gz CEOYGYRYTLULIY-XPUUQOCRSA-N 1 2 290.283 -1.395 20 0 CAADLO Nc1nc2nc(C[N@@H+]3C[C@@H]4C(=O)OC[C@@H]4C3)cc(=O)n2[nH]1 ZINC001434479627 891122021 /nfs/dbraw/zinc/12/20/21/891122021.db2.gz CEOYGYRYTLULIY-XPUUQOCRSA-N 1 2 290.283 -1.395 20 0 CAADLO CO[C@@H]1CS(=O)(=O)C[C@@H]1[NH+]1CCC(CO)(CO)CC1 ZINC001434483908 891124765 /nfs/dbraw/zinc/12/47/65/891124765.db2.gz FGYKEDAWOISTDB-WDEREUQCSA-N 1 2 293.385 -1.135 20 0 CAADLO COC[C@](C)(CO)[NH2+]Cc1nnc2c(=O)n(C)ccn12 ZINC001434498308 891125489 /nfs/dbraw/zinc/12/54/89/891125489.db2.gz GBZNNVOTZVMUJC-LBPRGKRZSA-N 1 2 281.316 -1.085 20 0 CAADLO Cn1c[nH+]cc1CNC(=O)NC[C@@H](O)CS(C)(=O)=O ZINC001434831673 891143471 /nfs/dbraw/zinc/14/34/71/891143471.db2.gz VOLFSLLTNRDESC-SECBINFHSA-N 1 2 290.345 -1.375 20 0 CAADLO CO[C@@H](C)C(=O)N[C@H]1CC[N@H+](CC(=O)NC(N)=O)[C@@H]1C ZINC001436468568 891150393 /nfs/dbraw/zinc/15/03/93/891150393.db2.gz AITXKBYAQJOBOB-VGMNWLOBSA-N 1 2 286.332 -1.205 20 0 CAADLO CO[C@@H](C)C(=O)N[C@H]1CC[N@@H+](CC(=O)NC(N)=O)[C@@H]1C ZINC001436468568 891150397 /nfs/dbraw/zinc/15/03/97/891150397.db2.gz AITXKBYAQJOBOB-VGMNWLOBSA-N 1 2 286.332 -1.205 20 0 CAADLO NC(=O)NC(=O)C[N@@H+]1CC[C@H](NC(=O)Cn2cccn2)C1 ZINC001436719542 891152775 /nfs/dbraw/zinc/15/27/75/891152775.db2.gz OSXNRVNPZCEKEM-VIFPVBQESA-N 1 2 294.315 -1.732 20 0 CAADLO NC(=O)NC(=O)C[N@H+]1CC[C@H](NC(=O)Cn2cccn2)C1 ZINC001436719542 891152781 /nfs/dbraw/zinc/15/27/81/891152781.db2.gz OSXNRVNPZCEKEM-VIFPVBQESA-N 1 2 294.315 -1.732 20 0 CAADLO CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cn(C)nn2)C1 ZINC001436724704 891152950 /nfs/dbraw/zinc/15/29/50/891152950.db2.gz MVACQRNQBLLFQR-VIFPVBQESA-N 1 2 280.332 -1.245 20 0 CAADLO CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cn(C)nn2)C1 ZINC001436724704 891152956 /nfs/dbraw/zinc/15/29/56/891152956.db2.gz MVACQRNQBLLFQR-VIFPVBQESA-N 1 2 280.332 -1.245 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)CCc2nnc[nH]2)C1 ZINC001436722412 891153261 /nfs/dbraw/zinc/15/32/61/891153261.db2.gz JADMCVBMTAZTHC-RKDXNWHRSA-N 1 2 280.332 -1.198 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)CCc2nnc[nH]2)C1 ZINC001436722412 891153270 /nfs/dbraw/zinc/15/32/70/891153270.db2.gz JADMCVBMTAZTHC-RKDXNWHRSA-N 1 2 280.332 -1.198 20 0 CAADLO COC(=O)NCC(=O)N[C@@H]1CCC[N@H+](CC(N)=O)C1 ZINC001436684755 891153510 /nfs/dbraw/zinc/15/35/10/891153510.db2.gz KXFGSROTURJNCI-MRVPVSSYSA-N 1 2 272.305 -1.592 20 0 CAADLO COC(=O)NCC(=O)N[C@@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001436684755 891153519 /nfs/dbraw/zinc/15/35/19/891153519.db2.gz KXFGSROTURJNCI-MRVPVSSYSA-N 1 2 272.305 -1.592 20 0 CAADLO CC(=O)N(C)CC(=O)N[C@@H]1CC[N@H+](Cc2cnnn2C)C1 ZINC001436720478 891153939 /nfs/dbraw/zinc/15/39/39/891153939.db2.gz SNLGKMSTKUGAEF-LLVKDONJSA-N 1 2 294.359 -1.016 20 0 CAADLO CC(=O)N(C)CC(=O)N[C@@H]1CC[N@@H+](Cc2cnnn2C)C1 ZINC001436720478 891153949 /nfs/dbraw/zinc/15/39/49/891153949.db2.gz SNLGKMSTKUGAEF-LLVKDONJSA-N 1 2 294.359 -1.016 20 0 CAADLO COCC(=O)N[C@H]1CC[N@H+](CC(=O)N2CCOCC2)C1 ZINC001436718842 891154404 /nfs/dbraw/zinc/15/44/04/891154404.db2.gz CUBDGZCABAKUJD-NSHDSACASA-N 1 2 285.344 -1.318 20 0 CAADLO COCC(=O)N[C@H]1CC[N@@H+](CC(=O)N2CCOCC2)C1 ZINC001436718842 891154412 /nfs/dbraw/zinc/15/44/12/891154412.db2.gz CUBDGZCABAKUJD-NSHDSACASA-N 1 2 285.344 -1.318 20 0 CAADLO CCC(=O)NCC[NH+]1CCN(Cc2nnnn2C)CC1 ZINC001436701382 891154664 /nfs/dbraw/zinc/15/46/64/891154664.db2.gz YJGQCPIHMIDLCK-UHFFFAOYSA-N 1 2 281.364 -1.146 20 0 CAADLO C[C@H](NC(N)=O)C(=O)NC[C@@H]1CCCC[N@@H+]1CC(N)=O ZINC001437040325 891161328 /nfs/dbraw/zinc/16/13/28/891161328.db2.gz VEWJJEGWJSSAQQ-IUCAKERBSA-N 1 2 285.348 -1.501 20 0 CAADLO C[C@H](CNC(=O)[C@H]1CCCO1)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001437101450 891161418 /nfs/dbraw/zinc/16/14/18/891161418.db2.gz PXMGAOIASSXWSN-RKDXNWHRSA-N 1 2 283.332 -1.118 20 0 CAADLO C[C@H](NC(N)=O)C(=O)NC[C@@H]1CCCC[N@H+]1CC(N)=O ZINC001437040325 891161334 /nfs/dbraw/zinc/16/13/34/891161334.db2.gz VEWJJEGWJSSAQQ-IUCAKERBSA-N 1 2 285.348 -1.501 20 0 CAADLO C[C@H](CNC(=O)c1cnns1)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001437114330 891162825 /nfs/dbraw/zinc/16/28/25/891162825.db2.gz UXMUWCQGZYEHIZ-ZCFIWIBFSA-N 1 2 297.344 -1.132 20 0 CAADLO C[C@@H](CNC(=O)[C@@H]1CNC(=O)N1)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001437197033 891166974 /nfs/dbraw/zinc/16/69/74/891166974.db2.gz PRHWIPWCUVXFSD-BQBZGAKWSA-N 1 2 297.319 -2.616 20 0 CAADLO C[C@H](CNC(=O)[C@H]1CNC(=O)N1)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001437197212 891167347 /nfs/dbraw/zinc/16/73/47/891167347.db2.gz PRHWIPWCUVXFSD-RNFRBKRXSA-N 1 2 297.319 -2.616 20 0 CAADLO C[C@H](CNC(=O)[C@@H]1CNC(=O)N1)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001437197215 891168253 /nfs/dbraw/zinc/16/82/53/891168253.db2.gz PRHWIPWCUVXFSD-RQJHMYQMSA-N 1 2 297.319 -2.616 20 0 CAADLO C[C@H](CNC(=O)c1cccnn1)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001437224818 891170956 /nfs/dbraw/zinc/17/09/56/891170956.db2.gz OGZWKVCBEHBGQR-MRVPVSSYSA-N 1 2 291.315 -1.194 20 0 CAADLO C[C@H](CCNC(=O)c1ncn[nH]1)[NH2+]Cc1nnnn1C ZINC001437401306 891175793 /nfs/dbraw/zinc/17/57/93/891175793.db2.gz HJIRBAMPPAREHI-SSDOTTSWSA-N 1 2 279.308 -1.374 20 0 CAADLO C[C@H](CCNC(=O)c1nc[nH]n1)[NH2+]Cc1nnnn1C ZINC001437401306 891175802 /nfs/dbraw/zinc/17/58/02/891175802.db2.gz HJIRBAMPPAREHI-SSDOTTSWSA-N 1 2 279.308 -1.374 20 0 CAADLO C[N@H+](CCNC(=O)[C@@H]1CCNC(=O)C1)CC(=O)N1CCC1 ZINC001437459847 891176202 /nfs/dbraw/zinc/17/62/02/891176202.db2.gz UBEZKTBDGNGHGZ-LLVKDONJSA-N 1 2 296.371 -1.207 20 0 CAADLO C[N@@H+](CCNC(=O)[C@@H]1CCNC(=O)C1)CC(=O)N1CCC1 ZINC001437459847 891176209 /nfs/dbraw/zinc/17/62/09/891176209.db2.gz UBEZKTBDGNGHGZ-LLVKDONJSA-N 1 2 296.371 -1.207 20 0 CAADLO C[N@H+](CCNC(=O)[C@@H]1CCOC1)CC(=O)N1CCOCC1 ZINC001437448940 891176249 /nfs/dbraw/zinc/17/62/49/891176249.db2.gz TVDCXXLEQAINLV-GFCCVEGCSA-N 1 2 299.371 -1.070 20 0 CAADLO C[N@@H+](CCNC(=O)[C@@H]1CCOC1)CC(=O)N1CCOCC1 ZINC001437448940 891176256 /nfs/dbraw/zinc/17/62/56/891176256.db2.gz TVDCXXLEQAINLV-GFCCVEGCSA-N 1 2 299.371 -1.070 20 0 CAADLO CC(=O)N(C)CC(=O)NCC[N@H+](C)CC(=O)NC1CC1 ZINC001437437043 891177095 /nfs/dbraw/zinc/17/70/95/891177095.db2.gz CPDBHAHRXGFGCR-UHFFFAOYSA-N 1 2 284.360 -1.209 20 0 CAADLO CC(=O)N(C)CC(=O)NCC[N@@H+](C)CC(=O)NC1CC1 ZINC001437437043 891177101 /nfs/dbraw/zinc/17/71/01/891177101.db2.gz CPDBHAHRXGFGCR-UHFFFAOYSA-N 1 2 284.360 -1.209 20 0 CAADLO CCN(C)C(=O)C[N@H+](C)CCNC(=O)Cn1ncnn1 ZINC001437461331 891177604 /nfs/dbraw/zinc/17/76/04/891177604.db2.gz ZEMUHHCZMRXFNT-UHFFFAOYSA-N 1 2 283.336 -1.801 20 0 CAADLO CCN(C)C(=O)C[N@@H+](C)CCNC(=O)Cn1ncnn1 ZINC001437461331 891177613 /nfs/dbraw/zinc/17/76/13/891177613.db2.gz ZEMUHHCZMRXFNT-UHFFFAOYSA-N 1 2 283.336 -1.801 20 0 CAADLO CC(C)NC(=O)C[N@H+](C)CCNC(=O)[C@@H]1COCCO1 ZINC001437436998 891178027 /nfs/dbraw/zinc/17/80/27/891178027.db2.gz BQHQNKHCWCAVJG-NSHDSACASA-N 1 2 287.360 -1.026 20 0 CAADLO CC(C)NC(=O)C[N@@H+](C)CCNC(=O)[C@@H]1COCCO1 ZINC001437436998 891178033 /nfs/dbraw/zinc/17/80/33/891178033.db2.gz BQHQNKHCWCAVJG-NSHDSACASA-N 1 2 287.360 -1.026 20 0 CAADLO COC(=O)[C@H]1C[C@H]1C(=O)NCC[N@H+](C)CC(=O)N(C)C ZINC001437451718 891178103 /nfs/dbraw/zinc/17/81/03/891178103.db2.gz QPIBGTSGTQHTCZ-ZJUUUORDSA-N 1 2 285.344 -1.068 20 0 CAADLO COC(=O)[C@H]1C[C@H]1C(=O)NCC[N@@H+](C)CC(=O)N(C)C ZINC001437451718 891178108 /nfs/dbraw/zinc/17/81/08/891178108.db2.gz QPIBGTSGTQHTCZ-ZJUUUORDSA-N 1 2 285.344 -1.068 20 0 CAADLO CC(C)NC(=O)C[N@H+](C)CCNC(=O)c1nnn(C)n1 ZINC001437500129 891179546 /nfs/dbraw/zinc/17/95/46/891179546.db2.gz BXPUPCJUZIWPDU-UHFFFAOYSA-N 1 2 283.336 -1.604 20 0 CAADLO CC(C)NC(=O)C[N@@H+](C)CCNC(=O)c1nnn(C)n1 ZINC001437500129 891179553 /nfs/dbraw/zinc/17/95/53/891179553.db2.gz BXPUPCJUZIWPDU-UHFFFAOYSA-N 1 2 283.336 -1.604 20 0 CAADLO CNC(=O)C[N@H+](C)CCNC(=O)CN(C)C(=O)COC ZINC001437473793 891179594 /nfs/dbraw/zinc/17/95/94/891179594.db2.gz VTSJPFGWONDTBJ-UHFFFAOYSA-N 1 2 288.348 -2.115 20 0 CAADLO CNC(=O)C[N@@H+](C)CCNC(=O)CN(C)C(=O)COC ZINC001437473793 891179602 /nfs/dbraw/zinc/17/96/02/891179602.db2.gz VTSJPFGWONDTBJ-UHFFFAOYSA-N 1 2 288.348 -2.115 20 0 CAADLO CNC(=O)C[N@H+](C)CCNC(=O)CCNS(C)(=O)=O ZINC001437473001 891179680 /nfs/dbraw/zinc/17/96/80/891179680.db2.gz RUNZAVFZMDYRPM-UHFFFAOYSA-N 1 2 294.377 -2.280 20 0 CAADLO CNC(=O)C[N@@H+](C)CCNC(=O)CCNS(C)(=O)=O ZINC001437473001 891179686 /nfs/dbraw/zinc/17/96/86/891179686.db2.gz RUNZAVFZMDYRPM-UHFFFAOYSA-N 1 2 294.377 -2.280 20 0 CAADLO CCN1C[C@H](C(=O)NCC[N@H+](C)CC(=O)NC)CC1=O ZINC001437469583 891180202 /nfs/dbraw/zinc/18/02/02/891180202.db2.gz CMMILKZCWVHKIH-SNVBAGLBSA-N 1 2 284.360 -1.351 20 0 CAADLO CCN1C[C@H](C(=O)NCC[N@@H+](C)CC(=O)NC)CC1=O ZINC001437469583 891180207 /nfs/dbraw/zinc/18/02/07/891180207.db2.gz CMMILKZCWVHKIH-SNVBAGLBSA-N 1 2 284.360 -1.351 20 0 CAADLO CNC(=O)C[N@H+](C)CCNC(=O)[C@@]1(C)CCNC(=O)C1 ZINC001437479552 891180345 /nfs/dbraw/zinc/18/03/45/891180345.db2.gz ABCCPTDFTJGDIT-ZDUSSCGKSA-N 1 2 284.360 -1.303 20 0 CAADLO CNC(=O)C[N@@H+](C)CCNC(=O)[C@@]1(C)CCNC(=O)C1 ZINC001437479552 891180354 /nfs/dbraw/zinc/18/03/54/891180354.db2.gz ABCCPTDFTJGDIT-ZDUSSCGKSA-N 1 2 284.360 -1.303 20 0 CAADLO CN(C)C(=O)C[N@H+](C)CCNC(=O)[C@H]1CC[C@H]1C(N)=O ZINC001437512198 891180419 /nfs/dbraw/zinc/18/04/19/891180419.db2.gz ULFJCZNQJVMPQY-ZJUUUORDSA-N 1 2 284.360 -1.366 20 0 CAADLO CN(C)C(=O)C[N@@H+](C)CCNC(=O)[C@H]1CC[C@H]1C(N)=O ZINC001437512198 891180426 /nfs/dbraw/zinc/18/04/26/891180426.db2.gz ULFJCZNQJVMPQY-ZJUUUORDSA-N 1 2 284.360 -1.366 20 0 CAADLO Cn1cnn(CC(=O)NCC[N@H+](C)CC(N)=O)c1=O ZINC001437487890 891180628 /nfs/dbraw/zinc/18/06/28/891180628.db2.gz LPRKYXMJOUPWNZ-UHFFFAOYSA-N 1 2 270.293 -2.885 20 0 CAADLO Cn1cnn(CC(=O)NCC[N@@H+](C)CC(N)=O)c1=O ZINC001437487890 891180632 /nfs/dbraw/zinc/18/06/32/891180632.db2.gz LPRKYXMJOUPWNZ-UHFFFAOYSA-N 1 2 270.293 -2.885 20 0 CAADLO CNC(=O)C[N@H+](C)CCNC(=O)c1coc(C(N)=O)c1 ZINC001437497162 891180652 /nfs/dbraw/zinc/18/06/52/891180652.db2.gz AKWHPURUDPIFHL-UHFFFAOYSA-N 1 2 282.300 -1.214 20 0 CAADLO CNC(=O)C[N@@H+](C)CCNC(=O)c1coc(C(N)=O)c1 ZINC001437497162 891180659 /nfs/dbraw/zinc/18/06/59/891180659.db2.gz AKWHPURUDPIFHL-UHFFFAOYSA-N 1 2 282.300 -1.214 20 0 CAADLO CN(C)C(=O)C[N@H+](C)CCNC(=O)CO[C@@H]1CCOC1 ZINC001437465086 891180873 /nfs/dbraw/zinc/18/08/73/891180873.db2.gz XYPSXVRGOYRCKU-LLVKDONJSA-N 1 2 287.360 -1.072 20 0 CAADLO CN(C)C(=O)C[N@@H+](C)CCNC(=O)CO[C@@H]1CCOC1 ZINC001437465086 891180879 /nfs/dbraw/zinc/18/08/79/891180879.db2.gz XYPSXVRGOYRCKU-LLVKDONJSA-N 1 2 287.360 -1.072 20 0 CAADLO COC[C@H](OC)C(=O)NCC[N@H+](C)CC(=O)N(C)C ZINC001437513959 891181046 /nfs/dbraw/zinc/18/10/46/891181046.db2.gz DTAXFQHHBITUEF-JTQLQIEISA-N 1 2 275.349 -1.216 20 0 CAADLO COC[C@H](OC)C(=O)NCC[N@@H+](C)CC(=O)N(C)C ZINC001437513959 891181048 /nfs/dbraw/zinc/18/10/48/891181048.db2.gz DTAXFQHHBITUEF-JTQLQIEISA-N 1 2 275.349 -1.216 20 0 CAADLO CCCNC(=O)C[N@H+](C)CCNC(=O)CNC(=O)NC ZINC001437471429 891181091 /nfs/dbraw/zinc/18/10/91/891181091.db2.gz PCJDENSKLFEABB-UHFFFAOYSA-N 1 2 287.364 -1.510 20 0 CAADLO CCCNC(=O)C[N@@H+](C)CCNC(=O)CNC(=O)NC ZINC001437471429 891181098 /nfs/dbraw/zinc/18/10/98/891181098.db2.gz PCJDENSKLFEABB-UHFFFAOYSA-N 1 2 287.364 -1.510 20 0 CAADLO CC(C)N(C)C(=O)C[N@H+](C)CCNC(=O)c1nnn(C)n1 ZINC001437501417 891181296 /nfs/dbraw/zinc/18/12/96/891181296.db2.gz NWDRIGKMAXDANB-UHFFFAOYSA-N 1 2 297.363 -1.262 20 0 CAADLO CC(C)N(C)C(=O)C[N@@H+](C)CCNC(=O)c1nnn(C)n1 ZINC001437501417 891181302 /nfs/dbraw/zinc/18/13/02/891181302.db2.gz NWDRIGKMAXDANB-UHFFFAOYSA-N 1 2 297.363 -1.262 20 0 CAADLO CCCNC(=O)C[N@H+](C)CCNC(=O)c1c[nH]c(=O)cn1 ZINC001437505218 891181352 /nfs/dbraw/zinc/18/13/52/891181352.db2.gz JTXKWCZAUSTDKQ-UHFFFAOYSA-N 1 2 295.343 -1.042 20 0 CAADLO CCCNC(=O)C[N@@H+](C)CCNC(=O)c1c[nH]c(=O)cn1 ZINC001437505218 891181359 /nfs/dbraw/zinc/18/13/59/891181359.db2.gz JTXKWCZAUSTDKQ-UHFFFAOYSA-N 1 2 295.343 -1.042 20 0 CAADLO CN1C[C@@H](C(=O)NCC[N@H+](C)CC(=O)NC2CC2)CC1=O ZINC001437474025 891181485 /nfs/dbraw/zinc/18/14/85/891181485.db2.gz XMUAOWCTCFECGE-JTQLQIEISA-N 1 2 296.371 -1.209 20 0 CAADLO CN1C[C@@H](C(=O)NCC[N@@H+](C)CC(=O)NC2CC2)CC1=O ZINC001437474025 891181491 /nfs/dbraw/zinc/18/14/91/891181491.db2.gz XMUAOWCTCFECGE-JTQLQIEISA-N 1 2 296.371 -1.209 20 0 CAADLO C[N@H+](CCNC(=O)c1cnn2cccnc12)CC(N)=O ZINC001437500374 891181857 /nfs/dbraw/zinc/18/18/57/891181857.db2.gz ZMMMUXVDUYXFFP-UHFFFAOYSA-N 1 2 276.300 -1.124 20 0 CAADLO C[N@@H+](CCNC(=O)c1cnn2cccnc12)CC(N)=O ZINC001437500374 891181865 /nfs/dbraw/zinc/18/18/65/891181865.db2.gz ZMMMUXVDUYXFFP-UHFFFAOYSA-N 1 2 276.300 -1.124 20 0 CAADLO C[C@@H](C(=O)NCC[N@H+](C)CC(N)=O)[C@H]1CCC(=O)N1 ZINC001437518097 891183361 /nfs/dbraw/zinc/18/33/61/891183361.db2.gz KHUQRMHEXMPTBR-RKDXNWHRSA-N 1 2 270.333 -1.566 20 0 CAADLO C[C@@H](C(=O)NCC[N@@H+](C)CC(N)=O)[C@H]1CCC(=O)N1 ZINC001437518097 891183363 /nfs/dbraw/zinc/18/33/63/891183363.db2.gz KHUQRMHEXMPTBR-RKDXNWHRSA-N 1 2 270.333 -1.566 20 0 CAADLO CNC(=O)C[N@H+](C)CCNC(=O)C(C)(C)CNC(C)=O ZINC001437529700 891183434 /nfs/dbraw/zinc/18/34/34/891183434.db2.gz HWZSFUSMKKLFMT-UHFFFAOYSA-N 1 2 286.376 -1.057 20 0 CAADLO CNC(=O)C[N@@H+](C)CCNC(=O)C(C)(C)CNC(C)=O ZINC001437529700 891183440 /nfs/dbraw/zinc/18/34/40/891183440.db2.gz HWZSFUSMKKLFMT-UHFFFAOYSA-N 1 2 286.376 -1.057 20 0 CAADLO C[N@H+](CCNC(=O)[C@@H]1CC(=O)NC(=O)N1)CC(N)=O ZINC001437527303 891183810 /nfs/dbraw/zinc/18/38/10/891183810.db2.gz PDSFBTSDKVVTIK-LURJTMIESA-N 1 2 271.277 -2.882 20 0 CAADLO C[N@@H+](CCNC(=O)[C@@H]1CC(=O)NC(=O)N1)CC(N)=O ZINC001437527303 891183816 /nfs/dbraw/zinc/18/38/16/891183816.db2.gz PDSFBTSDKVVTIK-LURJTMIESA-N 1 2 271.277 -2.882 20 0 CAADLO CNC(=O)C[N@H+](C)CCNC(=O)c1cn(C)c(=O)n1C ZINC001437571770 891184915 /nfs/dbraw/zinc/18/49/15/891184915.db2.gz YOEMVLNURNRVET-UHFFFAOYSA-N 1 2 283.332 -1.869 20 0 CAADLO CNC(=O)C[N@@H+](C)CCNC(=O)c1cn(C)c(=O)n1C ZINC001437571770 891184924 /nfs/dbraw/zinc/18/49/24/891184924.db2.gz YOEMVLNURNRVET-UHFFFAOYSA-N 1 2 283.332 -1.869 20 0 CAADLO C[N@H+](CCNC(=O)CN1CCC(=O)NC1=O)CC(N)=O ZINC001437544945 891185172 /nfs/dbraw/zinc/18/51/72/891185172.db2.gz PJFRYLKKICIDJY-UHFFFAOYSA-N 1 2 285.304 -2.538 20 0 CAADLO C[N@@H+](CCNC(=O)CN1CCC(=O)NC1=O)CC(N)=O ZINC001437544945 891185174 /nfs/dbraw/zinc/18/51/74/891185174.db2.gz PJFRYLKKICIDJY-UHFFFAOYSA-N 1 2 285.304 -2.538 20 0 CAADLO CC[N@H+](CCNC(=O)Cc1nnc[nH]1)[C@H](C)C(=O)NC ZINC001437647192 891187573 /nfs/dbraw/zinc/18/75/73/891187573.db2.gz SWIFAQZDMSEZIB-SECBINFHSA-N 1 2 282.348 -1.080 20 0 CAADLO CC[N@@H+](CCNC(=O)Cc1nnc[nH]1)[C@H](C)C(=O)NC ZINC001437647192 891187578 /nfs/dbraw/zinc/18/75/78/891187578.db2.gz SWIFAQZDMSEZIB-SECBINFHSA-N 1 2 282.348 -1.080 20 0 CAADLO C[C@@]1(C(=O)NC[C@H]2CCC[N@@H+]2CC(N)=O)CCNC(=O)C1 ZINC001437678700 891187628 /nfs/dbraw/zinc/18/76/28/891187628.db2.gz KLPKOAHFUMMBRV-QMTHXVAHSA-N 1 2 296.371 -1.031 20 0 CAADLO C[C@@]1(C(=O)NC[C@H]2CCC[N@H+]2CC(N)=O)CCNC(=O)C1 ZINC001437678700 891187632 /nfs/dbraw/zinc/18/76/32/891187632.db2.gz KLPKOAHFUMMBRV-QMTHXVAHSA-N 1 2 296.371 -1.031 20 0 CAADLO CNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)Cc1nnc[nH]1 ZINC001437689522 891188545 /nfs/dbraw/zinc/18/85/45/891188545.db2.gz WISNJNDHVDCGJO-VIFPVBQESA-N 1 2 280.332 -1.326 20 0 CAADLO CNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)Cc1nnc[nH]1 ZINC001437689522 891188555 /nfs/dbraw/zinc/18/85/55/891188555.db2.gz WISNJNDHVDCGJO-VIFPVBQESA-N 1 2 280.332 -1.326 20 0 CAADLO CCNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)c1nnn(C)n1 ZINC001437670943 891189776 /nfs/dbraw/zinc/18/97/76/891189776.db2.gz ZDOUZQSBQCTAGW-SECBINFHSA-N 1 2 295.347 -1.460 20 0 CAADLO CCNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)c1nnn(C)n1 ZINC001437670943 891189780 /nfs/dbraw/zinc/18/97/80/891189780.db2.gz ZDOUZQSBQCTAGW-SECBINFHSA-N 1 2 295.347 -1.460 20 0 CAADLO CCS(=O)(=O)N[C@@H](C)C(=O)NC1C[NH+](CCCO)C1 ZINC001438051070 891198788 /nfs/dbraw/zinc/19/87/88/891198788.db2.gz IGTGAAXAJMTWTG-VIFPVBQESA-N 1 2 293.389 -1.503 20 0 CAADLO CCS(=O)(=O)N[C@H](C)C(=O)NC1C[NH+](CCOC)C1 ZINC001438050903 891198733 /nfs/dbraw/zinc/19/87/33/891198733.db2.gz GZZLSSDIFXUBAZ-SECBINFHSA-N 1 2 293.389 -1.239 20 0 CAADLO CCC(=O)N[C@H](C)C(=O)N[C@@H]1CCC[N@H+](CC(N)=O)C1 ZINC001438014298 891199297 /nfs/dbraw/zinc/19/92/97/891199297.db2.gz LZLAYAIEWAWDLX-NXEZZACHSA-N 1 2 284.360 -1.033 20 0 CAADLO CCC(=O)N[C@H](C)C(=O)N[C@@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001438014298 891199308 /nfs/dbraw/zinc/19/93/08/891199308.db2.gz LZLAYAIEWAWDLX-NXEZZACHSA-N 1 2 284.360 -1.033 20 0 CAADLO CCS(=O)(=O)N[C@H](C)C(=O)NC1C[NH+](CCCO)C1 ZINC001438051069 891199877 /nfs/dbraw/zinc/19/98/77/891199877.db2.gz IGTGAAXAJMTWTG-SECBINFHSA-N 1 2 293.389 -1.503 20 0 CAADLO COCC(=O)N[C@H]1CCC[N@H+](CCNS(C)(=O)=O)C1 ZINC001438024831 891200203 /nfs/dbraw/zinc/20/02/03/891200203.db2.gz FDGDMUANMCXPMY-JTQLQIEISA-N 1 2 293.389 -1.237 20 0 CAADLO COCC(=O)N[C@H]1CCC[N@@H+](CCNS(C)(=O)=O)C1 ZINC001438024831 891200213 /nfs/dbraw/zinc/20/02/13/891200213.db2.gz FDGDMUANMCXPMY-JTQLQIEISA-N 1 2 293.389 -1.237 20 0 CAADLO CCC(=O)N[C@@H](C)C(=O)N[C@@H]1CCC[N@H+](CC(N)=O)C1 ZINC001438014302 891200666 /nfs/dbraw/zinc/20/06/66/891200666.db2.gz LZLAYAIEWAWDLX-VHSXEESVSA-N 1 2 284.360 -1.033 20 0 CAADLO CCC(=O)N[C@@H](C)C(=O)N[C@@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001438014302 891200681 /nfs/dbraw/zinc/20/06/81/891200681.db2.gz LZLAYAIEWAWDLX-VHSXEESVSA-N 1 2 284.360 -1.033 20 0 CAADLO COC[C@H](O)C[NH+]1CC(NC(=O)[C@@H]2CCNC(=O)CC2)C1 ZINC001438066678 891201960 /nfs/dbraw/zinc/20/19/60/891201960.db2.gz LLTFQTFHSQKZHX-CMPLNLGQSA-N 1 2 299.371 -1.290 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(NC(=O)[C@H]2CCC(=O)N2C)C1 ZINC001438079579 891202420 /nfs/dbraw/zinc/20/24/20/891202420.db2.gz XVQRGKKOPJMVKB-WDEREUQCSA-N 1 2 285.344 -1.585 20 0 CAADLO COC[C@H](O)C[NH+]1CC(NC(=O)C[C@@H]2CCC(=O)NC2)C1 ZINC001438054231 891202964 /nfs/dbraw/zinc/20/29/64/891202964.db2.gz OGZIITJDIYEPRQ-CMPLNLGQSA-N 1 2 299.371 -1.290 20 0 CAADLO C[C@@H](O)C[NH+]1CC(NC(=O)CNS(=O)(=O)N(C)C)C1 ZINC001438078893 891203447 /nfs/dbraw/zinc/20/34/47/891203447.db2.gz BKZQGZPBXSZNKK-MRVPVSSYSA-N 1 2 294.377 -2.436 20 0 CAADLO COC[C@H](O)C[NH+]1CC(NC(=O)[C@H]2CCC(=O)N2C)C1 ZINC001438079561 891203542 /nfs/dbraw/zinc/20/35/42/891203542.db2.gz XVQRGKKOPJMVKB-GHMZBOCLSA-N 1 2 285.344 -1.585 20 0 CAADLO COC[C@H](O)C[NH+]1CC(NC(=O)c2cn(C)c(=O)[nH]2)C1 ZINC001438077540 891203843 /nfs/dbraw/zinc/20/38/43/891203843.db2.gz QJSRCQBYCPFNEX-SECBINFHSA-N 1 2 284.316 -1.453 20 0 CAADLO COC[C@H](O)C[NH+]1CC(NC(=O)c2cnn(C)c2OC)C1 ZINC001438092273 891204001 /nfs/dbraw/zinc/20/40/01/891204001.db2.gz SUQPOCZPRNJJDX-SNVBAGLBSA-N 1 2 298.343 -1.150 20 0 CAADLO COC[C@H](O)C[NH+]1CC(NC(=O)C[C@H]2CCCC(=O)N2)C1 ZINC001438060793 891204382 /nfs/dbraw/zinc/20/43/82/891204382.db2.gz UTWTUJZXBAYVST-ZYHUDNBSSA-N 1 2 299.371 -1.147 20 0 CAADLO C[C@H](C(=O)NC(N)=O)[NH+]1CC(CNC(=O)c2cnco2)C1 ZINC001438132140 891205401 /nfs/dbraw/zinc/20/54/01/891205401.db2.gz DUPOXQSFPKZUGC-SSDOTTSWSA-N 1 2 295.299 -1.080 20 0 CAADLO C[C@H](C(N)=O)[NH+]1CC(CNC(=O)C[C@H]2CCC(=O)NC2)C1 ZINC001438117638 891205744 /nfs/dbraw/zinc/20/57/44/891205744.db2.gz DTPGRBOHRBFPEY-NXEZZACHSA-N 1 2 296.371 -1.176 20 0 CAADLO NC(=O)C[NH+]1CC(CNC(=O)C[C@H]2CCC(=O)NC2)C1 ZINC001438119747 891205802 /nfs/dbraw/zinc/20/58/02/891205802.db2.gz OAHGUYFVPAQRDK-SECBINFHSA-N 1 2 282.344 -1.564 20 0 CAADLO NC(=O)C[NH+]1CC(CNC(=O)CCCS(N)(=O)=O)C1 ZINC001438133516 891206029 /nfs/dbraw/zinc/20/60/29/891206029.db2.gz LDGXESSORWEXCC-UHFFFAOYSA-N 1 2 292.361 -2.412 20 0 CAADLO C[C@H](C(=O)NCC1C[NH+]([C@H]2CCNC2=O)C1)n1cncn1 ZINC001438109490 891206297 /nfs/dbraw/zinc/20/62/97/891206297.db2.gz CTHLZRXYUNPWTH-KOLCDFICSA-N 1 2 292.343 -1.224 20 0 CAADLO CC(=O)N1CC[C@](C)(C(=O)NCC2C[NH+](CC(N)=O)C2)C1 ZINC001438144077 891206813 /nfs/dbraw/zinc/20/68/13/891206813.db2.gz CWTNEDMSGDQBNI-AWEZNQCLSA-N 1 2 296.371 -1.222 20 0 CAADLO NC(=O)C[NH+]1CC(CNC(=O)CO[C@@H]2CCOC2)C1 ZINC001438125178 891207696 /nfs/dbraw/zinc/20/76/96/891207696.db2.gz RNEQQBSKNRIYAO-SNVBAGLBSA-N 1 2 271.317 -1.675 20 0 CAADLO C[C@@H](C(N)=O)[NH+]1CC(CNC(=O)[C@]2(C)CCC(=O)N2)C1 ZINC001438133990 891207863 /nfs/dbraw/zinc/20/78/63/891207863.db2.gz ABWZPLRROBNOFN-SDBXPKJASA-N 1 2 282.344 -1.423 20 0 CAADLO NC(=O)C[NH+]1CC(CNC(=O)CCn2cnccc2=O)C1 ZINC001438146611 891208581 /nfs/dbraw/zinc/20/85/81/891208581.db2.gz HJBOKDBYTATKLV-UHFFFAOYSA-N 1 2 293.327 -1.833 20 0 CAADLO CNC(=O)C[NH+]1CC(CNC(=O)C[C@@H](C)NC(N)=O)C1 ZINC001438119757 891208947 /nfs/dbraw/zinc/20/89/47/891208947.db2.gz BILUYILJHLEGMB-MRVPVSSYSA-N 1 2 285.348 -1.773 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)[C@H](C)NC(N)=O)C1 ZINC001438183638 891210147 /nfs/dbraw/zinc/21/01/47/891210147.db2.gz LWVUVYOUXWWMBZ-RNJXMRFFSA-N 1 2 271.321 -1.893 20 0 CAADLO CNC(=O)NCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@@H]1CCNC1=O ZINC001438166887 891209420 /nfs/dbraw/zinc/20/94/20/891209420.db2.gz BXEQTUJZPKUMNH-LPEHRKFASA-N 1 2 295.343 -1.911 20 0 CAADLO CNC(=O)NCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2[C@@H]1CCNC1=O ZINC001438166887 891209437 /nfs/dbraw/zinc/20/94/37/891209437.db2.gz BXEQTUJZPKUMNH-LPEHRKFASA-N 1 2 295.343 -1.911 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)[C@H](C)NC(N)=O)C1 ZINC001438183638 891210162 /nfs/dbraw/zinc/21/01/62/891210162.db2.gz LWVUVYOUXWWMBZ-RNJXMRFFSA-N 1 2 271.321 -1.893 20 0 CAADLO CN(C)S(=O)(=O)CC(=O)NCC1C[NH+](CC(N)=O)C1 ZINC001438160396 891211513 /nfs/dbraw/zinc/21/15/13/891211513.db2.gz ZBNBNMNPHVYCFT-UHFFFAOYSA-N 1 2 292.361 -2.589 20 0 CAADLO CNC(=O)NCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@H]1CCNC1=O ZINC001438166837 891211650 /nfs/dbraw/zinc/21/16/50/891211650.db2.gz BXEQTUJZPKUMNH-GUBZILKMSA-N 1 2 295.343 -1.911 20 0 CAADLO CNC(=O)NCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2[C@H]1CCNC1=O ZINC001438166837 891211663 /nfs/dbraw/zinc/21/16/63/891211663.db2.gz BXEQTUJZPKUMNH-GUBZILKMSA-N 1 2 295.343 -1.911 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CNC(C)=O ZINC001438156366 891212660 /nfs/dbraw/zinc/21/26/60/891212660.db2.gz NLFNICVBGPBUOS-LSJOCFKGSA-N 1 2 282.344 -1.458 20 0 CAADLO CNC(=O)[C@H](C)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CNC(C)=O ZINC001438156366 891212673 /nfs/dbraw/zinc/21/26/73/891212673.db2.gz NLFNICVBGPBUOS-LSJOCFKGSA-N 1 2 282.344 -1.458 20 0 CAADLO NC(=O)C[NH+]1CC(CNC(=O)CCN2CCCC2=O)C1 ZINC001438163070 891214064 /nfs/dbraw/zinc/21/40/64/891214064.db2.gz QFAREZNBHGCCME-UHFFFAOYSA-N 1 2 282.344 -1.468 20 0 CAADLO CCNC(=O)C[NH+]1CC(CNC(=O)CCCC(N)=O)C1 ZINC001438158064 891214141 /nfs/dbraw/zinc/21/41/41/891214141.db2.gz GPKIZWOUKQBUEW-UHFFFAOYSA-N 1 2 284.360 -1.174 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CNC(C)=O ZINC001438156367 891214674 /nfs/dbraw/zinc/21/46/74/891214674.db2.gz NLFNICVBGPBUOS-MIMYLULJSA-N 1 2 282.344 -1.458 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CNC(C)=O ZINC001438156367 891214692 /nfs/dbraw/zinc/21/46/92/891214692.db2.gz NLFNICVBGPBUOS-MIMYLULJSA-N 1 2 282.344 -1.458 20 0 CAADLO CC(C)NC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cn2cncn2)C1 ZINC001438214361 891214759 /nfs/dbraw/zinc/21/47/59/891214759.db2.gz BXHSGXASMUPESC-LLVKDONJSA-N 1 2 294.359 -1.007 20 0 CAADLO CC(C)NC(=O)C[N@H+]1CC[C@@H](NC(=O)Cn2cncn2)C1 ZINC001438214361 891214774 /nfs/dbraw/zinc/21/47/74/891214774.db2.gz BXHSGXASMUPESC-LLVKDONJSA-N 1 2 294.359 -1.007 20 0 CAADLO CC[C@@H](CNC(=O)[C@@H]1CCC(=O)N1)[NH2+]Cc1nnn(C)n1 ZINC001438377197 891217435 /nfs/dbraw/zinc/21/74/35/891217435.db2.gz MUTNIUDNLCHANV-IUCAKERBSA-N 1 2 295.347 -1.527 20 0 CAADLO COC[C@@H](O)C[N@@H+]1CCO[C@@H](CNC(=O)[C@H](C)OC)C1 ZINC001438559585 891225021 /nfs/dbraw/zinc/22/50/21/891225021.db2.gz LUVMPUULEGIQGS-SRVKXCTJSA-N 1 2 290.360 -1.154 20 0 CAADLO COC[C@@H](O)C[N@H+]1CCO[C@@H](CNC(=O)[C@H](C)OC)C1 ZINC001438559585 891225039 /nfs/dbraw/zinc/22/50/39/891225039.db2.gz LUVMPUULEGIQGS-SRVKXCTJSA-N 1 2 290.360 -1.154 20 0 CAADLO O=C(CCn1ccnn1)NC[C@H]1C[N@H+](CCO)CCO1 ZINC001438569090 891225136 /nfs/dbraw/zinc/22/51/36/891225136.db2.gz VHRMMIHUUKMVKE-NSHDSACASA-N 1 2 283.332 -1.523 20 0 CAADLO O=C(CCn1ccnn1)NC[C@H]1C[N@@H+](CCO)CCO1 ZINC001438569090 891225154 /nfs/dbraw/zinc/22/51/54/891225154.db2.gz VHRMMIHUUKMVKE-NSHDSACASA-N 1 2 283.332 -1.523 20 0 CAADLO O=C(CCn1ccnn1)NC[C@@H]1C[N@H+](CCO)CCO1 ZINC001438569089 891225320 /nfs/dbraw/zinc/22/53/20/891225320.db2.gz VHRMMIHUUKMVKE-LLVKDONJSA-N 1 2 283.332 -1.523 20 0 CAADLO O=C(CCn1ccnn1)NC[C@@H]1C[N@@H+](CCO)CCO1 ZINC001438569089 891225337 /nfs/dbraw/zinc/22/53/37/891225337.db2.gz VHRMMIHUUKMVKE-LLVKDONJSA-N 1 2 283.332 -1.523 20 0 CAADLO CCC(=O)NCC(=O)NC[C@@H]1C[N@H+](CCO)CCO1 ZINC001438562881 891225454 /nfs/dbraw/zinc/22/54/54/891225454.db2.gz SKXXYMBTAMREFM-SNVBAGLBSA-N 1 2 273.333 -1.678 20 0 CAADLO CCC(=O)NCC(=O)NC[C@@H]1C[N@@H+](CCO)CCO1 ZINC001438562881 891225470 /nfs/dbraw/zinc/22/54/70/891225470.db2.gz SKXXYMBTAMREFM-SNVBAGLBSA-N 1 2 273.333 -1.678 20 0 CAADLO Cc1nnc(CC(=O)NC[C@@H]2C[N@H+](CCCO)CCO2)[nH]1 ZINC001438567912 891226032 /nfs/dbraw/zinc/22/60/32/891226032.db2.gz ODKPENVLOJERRP-LLVKDONJSA-N 1 2 297.359 -1.145 20 0 CAADLO Cc1nnc(CC(=O)NC[C@@H]2C[N@@H+](CCCO)CCO2)[nH]1 ZINC001438567912 891226046 /nfs/dbraw/zinc/22/60/46/891226046.db2.gz ODKPENVLOJERRP-LLVKDONJSA-N 1 2 297.359 -1.145 20 0 CAADLO CN(CC[N@H+](C)CC(N)=O)C(=O)CNC(=O)N1CCCC1 ZINC001438877855 891232661 /nfs/dbraw/zinc/23/26/61/891232661.db2.gz SSTFJUXFTVUHLN-UHFFFAOYSA-N 1 2 299.375 -1.333 20 0 CAADLO CN(CC[N@@H+](C)CC(N)=O)C(=O)CNC(=O)N1CCCC1 ZINC001438877855 891232678 /nfs/dbraw/zinc/23/26/78/891232678.db2.gz SSTFJUXFTVUHLN-UHFFFAOYSA-N 1 2 299.375 -1.333 20 0 CAADLO CCNC(=O)C[N@H+](C)CCN(C)C(=O)CNC(=O)NC ZINC001438871199 891233487 /nfs/dbraw/zinc/23/34/87/891233487.db2.gz FPWYZWVYKMRXIX-UHFFFAOYSA-N 1 2 287.364 -1.558 20 0 CAADLO CCNC(=O)C[N@@H+](C)CCN(C)C(=O)CNC(=O)NC ZINC001438871199 891233500 /nfs/dbraw/zinc/23/35/00/891233500.db2.gz FPWYZWVYKMRXIX-UHFFFAOYSA-N 1 2 287.364 -1.558 20 0 CAADLO CN(CC[N@H+](C)CC(N)=O)C(=O)CCCn1cncn1 ZINC001438920258 891233766 /nfs/dbraw/zinc/23/37/66/891233766.db2.gz FASOUDGEDCYZIN-UHFFFAOYSA-N 1 2 282.348 -1.066 20 0 CAADLO CN(CC[N@@H+](C)CC(N)=O)C(=O)CCCn1cncn1 ZINC001438920258 891233783 /nfs/dbraw/zinc/23/37/83/891233783.db2.gz FASOUDGEDCYZIN-UHFFFAOYSA-N 1 2 282.348 -1.066 20 0 CAADLO COC(=O)[C@H]1C[C@H]1C(=O)N(C)CC[N@H+](C)CC(N)=O ZINC001438861534 891234117 /nfs/dbraw/zinc/23/41/17/891234117.db2.gz MQZRAFXZRRHYLX-BDAKNGLRSA-N 1 2 271.317 -1.329 20 0 CAADLO COC(=O)[C@H]1C[C@H]1C(=O)N(C)CC[N@@H+](C)CC(N)=O ZINC001438861534 891234133 /nfs/dbraw/zinc/23/41/33/891234133.db2.gz MQZRAFXZRRHYLX-BDAKNGLRSA-N 1 2 271.317 -1.329 20 0 CAADLO CNC(=O)C[N@H+](C)CCN(C)C(=O)[C@H]1COC(=O)N1 ZINC001438871434 891236354 /nfs/dbraw/zinc/23/63/54/891236354.db2.gz HRYRLMVOFOQZIQ-MRVPVSSYSA-N 1 2 272.305 -1.769 20 0 CAADLO CNC(=O)C[N@@H+](C)CCN(C)C(=O)[C@H]1COC(=O)N1 ZINC001438871434 891236369 /nfs/dbraw/zinc/23/63/69/891236369.db2.gz HRYRLMVOFOQZIQ-MRVPVSSYSA-N 1 2 272.305 -1.769 20 0 CAADLO CO[C@H](C(=O)N(C)CC[N@H+](C)CC(N)=O)[C@H]1CCOC1 ZINC001438891571 891237033 /nfs/dbraw/zinc/23/70/33/891237033.db2.gz CRICRQURNZTSNM-JQWIXIFHSA-N 1 2 287.360 -1.087 20 0 CAADLO CO[C@H](C(=O)N(C)CC[N@@H+](C)CC(N)=O)[C@H]1CCOC1 ZINC001438891571 891237050 /nfs/dbraw/zinc/23/70/50/891237050.db2.gz CRICRQURNZTSNM-JQWIXIFHSA-N 1 2 287.360 -1.087 20 0 CAADLO CNC(=O)C[N@H+](C)CCN(C)C(=O)CNC(=O)NC ZINC001438872176 891237420 /nfs/dbraw/zinc/23/74/20/891237420.db2.gz JJMHBDGFARICPV-UHFFFAOYSA-N 1 2 273.337 -1.948 20 0 CAADLO CNC(=O)C[N@@H+](C)CCN(C)C(=O)CNC(=O)NC ZINC001438872176 891237437 /nfs/dbraw/zinc/23/74/37/891237437.db2.gz JJMHBDGFARICPV-UHFFFAOYSA-N 1 2 273.337 -1.948 20 0 CAADLO CN(CCN(C)C(=O)Cn1cc[nH+]c1)Cc1nnn(C)n1 ZINC001438940759 891238612 /nfs/dbraw/zinc/23/86/12/891238612.db2.gz OUWCJTDPDCVJEV-UHFFFAOYSA-N 1 2 292.347 -1.003 20 0 CAADLO CN(CC[N@H+](C)CC(N)=O)C(=O)c1cccn(C)c1=O ZINC001438925912 891240804 /nfs/dbraw/zinc/24/08/04/891240804.db2.gz CHMURCGLEVMJME-UHFFFAOYSA-N 1 2 280.328 -1.126 20 0 CAADLO CN(CC[N@@H+](C)CC(N)=O)C(=O)c1cccn(C)c1=O ZINC001438925912 891240819 /nfs/dbraw/zinc/24/08/19/891240819.db2.gz CHMURCGLEVMJME-UHFFFAOYSA-N 1 2 280.328 -1.126 20 0 CAADLO CN(CC[N@H+](C)CC(=O)NC1CC1)C(=O)Cn1cncn1 ZINC001438936109 891241073 /nfs/dbraw/zinc/24/10/73/891241073.db2.gz MEWWVARFBAIBDV-UHFFFAOYSA-N 1 2 294.359 -1.053 20 0 CAADLO CN(CC[N@@H+](C)CC(=O)NC1CC1)C(=O)Cn1cncn1 ZINC001438936109 891241089 /nfs/dbraw/zinc/24/10/89/891241089.db2.gz MEWWVARFBAIBDV-UHFFFAOYSA-N 1 2 294.359 -1.053 20 0 CAADLO COCCC(=O)NC[C@H](O)C[NH2+]Cc1nnc(C)o1 ZINC001438963420 891246000 /nfs/dbraw/zinc/24/60/00/891246000.db2.gz OOEUQJHASOAHJC-SECBINFHSA-N 1 2 272.305 -1.019 20 0 CAADLO Cc1nnc(C[NH2+]C[C@H](O)CNC(=O)C2=COCCO2)o1 ZINC001438960736 891246039 /nfs/dbraw/zinc/24/60/39/891246039.db2.gz VSTGSDZQDMNGBJ-VIFPVBQESA-N 1 2 298.299 -1.167 20 0 CAADLO COCCC(=O)NC[C@@H](O)C[NH2+]Cc1nnc(C)o1 ZINC001438963614 891246302 /nfs/dbraw/zinc/24/63/02/891246302.db2.gz OOEUQJHASOAHJC-VIFPVBQESA-N 1 2 272.305 -1.019 20 0 CAADLO Cc1nnc(C[NH2+]C[C@@H](O)CNC(=O)[C@H]2CCOC2)o1 ZINC001438973860 891252461 /nfs/dbraw/zinc/25/24/61/891252461.db2.gz VLOXICZSOWAQSA-VHSXEESVSA-N 1 2 284.316 -1.019 20 0 CAADLO CCn1ncnc1C[NH2+]C[C@H](O)CNC(=O)c1nnc[nH]1 ZINC001439046454 891275136 /nfs/dbraw/zinc/27/51/36/891275136.db2.gz WYSZLKQUMYAEJK-QMMMGPOBSA-N 1 2 294.319 -1.703 20 0 CAADLO Cc1nnc(C[NH2+]C[C@@H](O)CNC(=O)c2nonc2C)o1 ZINC001439066994 891277951 /nfs/dbraw/zinc/27/79/51/891277951.db2.gz XQLQCGCSMBMYGH-MRVPVSSYSA-N 1 2 296.287 -1.050 20 0 CAADLO Cc1nnc(C[NH2+]C[C@H](O)CNC(=O)Cn2cncn2)o1 ZINC001439052936 891278237 /nfs/dbraw/zinc/27/82/37/891278237.db2.gz NNCDSZINSRKOFG-VIFPVBQESA-N 1 2 295.303 -1.764 20 0 CAADLO Cc1nnc(C[NH2+]C[C@@H](O)CNC(=O)Cn2cncn2)o1 ZINC001439052931 891280788 /nfs/dbraw/zinc/28/07/88/891280788.db2.gz NNCDSZINSRKOFG-SECBINFHSA-N 1 2 295.303 -1.764 20 0 CAADLO C[C@H](C[NH2+]Cc1nc(=O)n(C)[nH]1)NC(=O)Cn1ccnc1 ZINC001439184484 891289745 /nfs/dbraw/zinc/28/97/45/891289745.db2.gz JCRFGUMWKHHWQQ-SECBINFHSA-N 1 2 293.331 -1.401 20 0 CAADLO C[C@H](C[NH2+]Cc1cnsn1)NC(=O)[C@H]1CNC(=O)N1 ZINC001439144951 891290238 /nfs/dbraw/zinc/29/02/38/891290238.db2.gz BVLVJROSFKIHFE-HTRCEHHLSA-N 1 2 284.345 -1.186 20 0 CAADLO C[C@@H](C[NH2+]Cc1nc(=O)n(C)[nH]1)NC(=O)Cc1c[nH]cn1 ZINC001439252570 891295563 /nfs/dbraw/zinc/29/55/63/891295563.db2.gz PBUKIFDGWKKMFC-QMMMGPOBSA-N 1 2 293.331 -1.332 20 0 CAADLO C[C@H](C[N@H+](C)CC(=O)N1CCNC(=O)C1)NC(=O)C1CC1 ZINC001439291137 891299436 /nfs/dbraw/zinc/29/94/36/891299436.db2.gz RQZGRESUPCUEFS-SNVBAGLBSA-N 1 2 296.371 -1.209 20 0 CAADLO C[C@H](C[N@@H+](C)CC(=O)N1CCNC(=O)C1)NC(=O)C1CC1 ZINC001439291137 891299455 /nfs/dbraw/zinc/29/94/55/891299455.db2.gz RQZGRESUPCUEFS-SNVBAGLBSA-N 1 2 296.371 -1.209 20 0 CAADLO C[C@@H](C[N@H+](C)CC(=O)N1CCNC(=O)C1)NC(=O)C1CC1 ZINC001439291136 891299820 /nfs/dbraw/zinc/29/98/20/891299820.db2.gz RQZGRESUPCUEFS-JTQLQIEISA-N 1 2 296.371 -1.209 20 0 CAADLO C[C@@H](C[N@@H+](C)CC(=O)N1CCNC(=O)C1)NC(=O)C1CC1 ZINC001439291136 891299832 /nfs/dbraw/zinc/29/98/32/891299832.db2.gz RQZGRESUPCUEFS-JTQLQIEISA-N 1 2 296.371 -1.209 20 0 CAADLO C[C@H](C[N@H+](C)[C@H]1CCNC1=O)NC(=O)Cc1nnc[nH]1 ZINC001439385275 891301884 /nfs/dbraw/zinc/30/18/84/891301884.db2.gz BZISOPJLEDFEEI-BDAKNGLRSA-N 1 2 280.332 -1.328 20 0 CAADLO C[C@H](C[N@@H+](C)[C@H]1CCNC1=O)NC(=O)Cc1nnc[nH]1 ZINC001439385275 891301896 /nfs/dbraw/zinc/30/18/96/891301896.db2.gz BZISOPJLEDFEEI-BDAKNGLRSA-N 1 2 280.332 -1.328 20 0 CAADLO C[C@@H](C[N@H+](C)[C@@H]1CCNC1=O)NC(=O)Cc1nnc[nH]1 ZINC001439385428 891302003 /nfs/dbraw/zinc/30/20/03/891302003.db2.gz BZISOPJLEDFEEI-DTWKUNHWSA-N 1 2 280.332 -1.328 20 0 CAADLO C[C@@H](C[N@@H+](C)[C@@H]1CCNC1=O)NC(=O)Cc1nnc[nH]1 ZINC001439385428 891302020 /nfs/dbraw/zinc/30/20/20/891302020.db2.gz BZISOPJLEDFEEI-DTWKUNHWSA-N 1 2 280.332 -1.328 20 0 CAADLO C[C@H](C[N@H+](C)[C@@H]1CCNC1=O)NC(=O)Cc1nnc[nH]1 ZINC001439385439 891304791 /nfs/dbraw/zinc/30/47/91/891304791.db2.gz BZISOPJLEDFEEI-RKDXNWHRSA-N 1 2 280.332 -1.328 20 0 CAADLO C[C@H](C[N@@H+](C)[C@@H]1CCNC1=O)NC(=O)Cc1nnc[nH]1 ZINC001439385439 891304810 /nfs/dbraw/zinc/30/48/10/891304810.db2.gz BZISOPJLEDFEEI-RKDXNWHRSA-N 1 2 280.332 -1.328 20 0 CAADLO CC[C@@H](C(N)=O)[N@@H+]1CC[C@@H]1CNC(=O)Cn1cnnn1 ZINC001439512931 891309232 /nfs/dbraw/zinc/30/92/32/891309232.db2.gz JEDXJFSHMNZDDG-BDAKNGLRSA-N 1 2 281.320 -1.873 20 0 CAADLO CC[C@@H](C(N)=O)[N@H+]1CC[C@@H]1CNC(=O)Cn1cnnn1 ZINC001439512931 891309256 /nfs/dbraw/zinc/30/92/56/891309256.db2.gz JEDXJFSHMNZDDG-BDAKNGLRSA-N 1 2 281.320 -1.873 20 0 CAADLO CC[C@H](C(N)=O)[N@@H+]1CC[C@H]1CNC(=O)Cn1cnnn1 ZINC001439512946 891309874 /nfs/dbraw/zinc/30/98/74/891309874.db2.gz JEDXJFSHMNZDDG-DTWKUNHWSA-N 1 2 281.320 -1.873 20 0 CAADLO CC[C@H](C(N)=O)[N@H+]1CC[C@H]1CNC(=O)Cn1cnnn1 ZINC001439512946 891309889 /nfs/dbraw/zinc/30/98/89/891309889.db2.gz JEDXJFSHMNZDDG-DTWKUNHWSA-N 1 2 281.320 -1.873 20 0 CAADLO CNC(=O)NCC(=O)NC[C@@H]1CC[N@@H+]1[C@H](C)C(=O)NC ZINC001439531844 891310006 /nfs/dbraw/zinc/31/00/06/891310006.db2.gz CENYPTXEDRURLG-BDAKNGLRSA-N 1 2 285.348 -1.760 20 0 CAADLO CNC(=O)NCC(=O)NC[C@@H]1CC[N@H+]1[C@H](C)C(=O)NC ZINC001439531844 891310023 /nfs/dbraw/zinc/31/00/23/891310023.db2.gz CENYPTXEDRURLG-BDAKNGLRSA-N 1 2 285.348 -1.760 20 0 CAADLO CNC(=O)CN1CC[C@@H]1CNC(=O)Cc1c[nH+]cn1C ZINC001439568623 891311630 /nfs/dbraw/zinc/31/16/30/891311630.db2.gz FELPHVPPBOVUGT-SNVBAGLBSA-N 1 2 279.344 -1.101 20 0 CAADLO CNC(=O)CN1CC[C@H]1CNC(=O)Cc1c[nH+]cn1C ZINC001439568620 891313658 /nfs/dbraw/zinc/31/36/58/891313658.db2.gz FELPHVPPBOVUGT-JTQLQIEISA-N 1 2 279.344 -1.101 20 0 CAADLO COC[C@H](O)C[NH+]1CC(N(C)C(=O)[C@H](C)n2cncn2)C1 ZINC001439717349 891316701 /nfs/dbraw/zinc/31/67/01/891316701.db2.gz QUDVHQDKFQDQRL-CMPLNLGQSA-N 1 2 297.359 -1.011 20 0 CAADLO Cn1nnc(CNC2(CNC(=O)Cn3cc[nH+]c3)CC2)n1 ZINC001439686630 891316937 /nfs/dbraw/zinc/31/69/37/891316937.db2.gz MSOQEDGPZOYOBA-UHFFFAOYSA-N 1 2 290.331 -1.155 20 0 CAADLO Cn1cnnc1C[NH2+]C1(CNC(=O)[C@H]2C[C@H]2C(N)=O)CC1 ZINC001439643543 891317605 /nfs/dbraw/zinc/31/76/05/891317605.db2.gz DAMULPQLBZYRBZ-BDAKNGLRSA-N 1 2 292.343 -1.325 20 0 CAADLO Cc1nonc1C[NH2+]C1(CNC(=O)c2nnn(C)n2)CC1 ZINC001439637538 891317674 /nfs/dbraw/zinc/31/76/74/891317674.db2.gz KEILQTAAKUPKQP-UHFFFAOYSA-N 1 2 292.303 -1.046 20 0 CAADLO Cn1ncc(C[NH2+]C2(CNC(=O)Cc3nc[nH]n3)CC2)n1 ZINC001439660724 891318611 /nfs/dbraw/zinc/31/86/11/891318611.db2.gz HHAJKYOJGAVSAV-UHFFFAOYSA-N 1 2 290.331 -1.086 20 0 CAADLO COC[C@@H](OC)C(=O)NCC1([NH2+]Cc2nnnn2C)CC1 ZINC001439649611 891319014 /nfs/dbraw/zinc/31/90/14/891319014.db2.gz RSHYNPFQMIKVPZ-SECBINFHSA-N 1 2 298.347 -1.390 20 0 CAADLO COCC[NH+]1CC(N(C)C(=O)CCn2ncn(C)c2=O)C1 ZINC001439732995 891320840 /nfs/dbraw/zinc/32/08/40/891320840.db2.gz NAKIOHQHSSJRQB-UHFFFAOYSA-N 1 2 297.359 -1.239 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)c2ncccc2O)C1 ZINC001439970361 891328481 /nfs/dbraw/zinc/32/84/81/891328481.db2.gz DNVZUESOPODGHW-CYBMUJFWSA-N 1 2 294.311 -1.561 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)c2ncccc2O)C1 ZINC001439970361 891328496 /nfs/dbraw/zinc/32/84/96/891328496.db2.gz DNVZUESOPODGHW-CYBMUJFWSA-N 1 2 294.311 -1.561 20 0 CAADLO CNS(=O)(=O)CC(=O)N[C@@]1(C)CC[N@H+](CC(N)=O)C1 ZINC001439876058 891328916 /nfs/dbraw/zinc/32/89/16/891328916.db2.gz XCEQDIUMMDEJKX-JTQLQIEISA-N 1 2 292.361 -2.399 20 0 CAADLO CNS(=O)(=O)CC(=O)N[C@@]1(C)CC[N@@H+](CC(N)=O)C1 ZINC001439876058 891328934 /nfs/dbraw/zinc/32/89/34/891328934.db2.gz XCEQDIUMMDEJKX-JTQLQIEISA-N 1 2 292.361 -2.399 20 0 CAADLO C[C@@]1(C[NH2+]CC(N)=O)CCN(C(=O)Cc2ncn[nH]2)C1 ZINC001439907197 891330620 /nfs/dbraw/zinc/33/06/20/891330620.db2.gz UIOIPQWWGMNKTM-LBPRGKRZSA-N 1 2 280.332 -1.339 20 0 CAADLO CCOCC(=O)NC[C@@]1(O)CC[N@H+](Cc2cn(C)nn2)C1 ZINC001439981499 891337491 /nfs/dbraw/zinc/33/74/91/891337491.db2.gz VRHXXIIQCVWSRK-ZDUSSCGKSA-N 1 2 297.359 -1.095 20 0 CAADLO CCOCC(=O)NC[C@@]1(O)CC[N@@H+](Cc2cn(C)nn2)C1 ZINC001439981499 891337508 /nfs/dbraw/zinc/33/75/08/891337508.db2.gz VRHXXIIQCVWSRK-ZDUSSCGKSA-N 1 2 297.359 -1.095 20 0 CAADLO COC[C@H](O)C[NH+]1CC(O)(CNC(=O)C2CCC2)C1 ZINC001440026314 891340005 /nfs/dbraw/zinc/34/00/05/891340005.db2.gz ZULRPLOLCZEQCR-LLVKDONJSA-N 1 2 272.345 -1.043 20 0 CAADLO CC(=O)N(C)CC(=O)NCC1(O)C[NH+](C[C@H](C)O)C1 ZINC001440029659 891342676 /nfs/dbraw/zinc/34/26/76/891342676.db2.gz BGAORBRFVAOHCN-VIFPVBQESA-N 1 2 273.333 -1.992 20 0 CAADLO O=C(Cn1cnnn1)NCC1(O)C[NH+](CCCF)C1 ZINC001440026607 891343851 /nfs/dbraw/zinc/34/38/51/891343851.db2.gz HCBOJBVUILUBCE-UHFFFAOYSA-N 1 2 272.284 -1.804 20 0 CAADLO COC[C@H](O)C[NH+]1CC(O)(CNC(=O)c2cn(C)nn2)C1 ZINC001440042815 891345010 /nfs/dbraw/zinc/34/50/10/891345010.db2.gz FOVJGQWWVVGOQI-SECBINFHSA-N 1 2 299.331 -2.401 20 0 CAADLO Cc1ccc(C(=O)NCC2(O)C[NH+](C[C@@H](C)O)C2)nn1 ZINC001440041600 891345487 /nfs/dbraw/zinc/34/54/87/891345487.db2.gz BEYIYWZCYRPZLH-SNVBAGLBSA-N 1 2 280.328 -1.058 20 0 CAADLO COC[C@H](C)[NH+]1CC(O)(CNC(=O)CCn2ccnn2)C1 ZINC001440040250 891346360 /nfs/dbraw/zinc/34/63/60/891346360.db2.gz CPDUEAFVDUEZIV-NSHDSACASA-N 1 2 297.359 -1.134 20 0 CAADLO COCC(=O)NCC1(O)C[NH+](C[C@H]2CCc3ncnn32)C1 ZINC001440036653 891346867 /nfs/dbraw/zinc/34/68/67/891346867.db2.gz XGUPQGVTSKXJJY-SNVBAGLBSA-N 1 2 295.343 -1.425 20 0 CAADLO CO[C@@H](C)C[NH+]1CC(O)(CNC(=O)[C@@H]2CCNC(=O)C2)C1 ZINC001440040510 891347215 /nfs/dbraw/zinc/34/72/15/891347215.db2.gz FLNROFXRXYMRSC-WDEREUQCSA-N 1 2 299.371 -1.290 20 0 CAADLO C[C@@H](CC(=O)NCC1(O)C[NH+](CCCF)C1)NC(N)=O ZINC001440052510 891348115 /nfs/dbraw/zinc/34/81/15/891348115.db2.gz ODGRZLXVASXXHV-VIFPVBQESA-N 1 2 290.339 -1.044 20 0 CAADLO C[C@@H](O)C[NH+]1CC(O)(CNC(=O)[C@@]2(C)CCNC(=O)C2)C1 ZINC001440051333 891348536 /nfs/dbraw/zinc/34/85/36/891348536.db2.gz GWOPUNHWXZQFGV-MFKMUULPSA-N 1 2 299.371 -1.554 20 0 CAADLO C[C@@H](O)C[NH+]1CC(O)(CNC(=O)c2cccc(=O)[nH]2)C1 ZINC001440045657 891349432 /nfs/dbraw/zinc/34/94/32/891349432.db2.gz YGMNRPWSCOOODW-SECBINFHSA-N 1 2 281.312 -1.056 20 0 CAADLO O=C(NCC1(O)C[NH+](CCCO)C1)c1cc[nH]c(=O)c1 ZINC001440047410 891350070 /nfs/dbraw/zinc/35/00/70/891350070.db2.gz PXLXUDFEUMUICC-UHFFFAOYSA-N 1 2 281.312 -1.054 20 0 CAADLO C[C@H](O)C[NH+]1CC(O)(CNC(=O)c2csnn2)C1 ZINC001440061734 891350226 /nfs/dbraw/zinc/35/02/26/891350226.db2.gz AKRXZDFJHDJQCO-ZETCQYMHSA-N 1 2 272.330 -1.305 20 0 CAADLO CC[NH+]1CC(O)(CNC(=O)CN(C)C(=O)COC)C1 ZINC001440054042 891350371 /nfs/dbraw/zinc/35/03/71/891350371.db2.gz LQAVPYVWHFTAGI-UHFFFAOYSA-N 1 2 273.333 -1.726 20 0 CAADLO C[C@H](O)C[NH+]1CC(O)(CNC(=O)[C@H]2CCC(=O)NC2)C1 ZINC001440060625 891350475 /nfs/dbraw/zinc/35/04/75/891350475.db2.gz FPIXXFLGBGAEDE-UWVGGRQHSA-N 1 2 285.344 -1.944 20 0 CAADLO CC[NH+]1CC(O)(CNC(=O)c2ccn3nnnc3c2)C1 ZINC001440066811 891350795 /nfs/dbraw/zinc/35/07/95/891350795.db2.gz RQXZYMLXZGATGT-UHFFFAOYSA-N 1 2 276.300 -1.079 20 0 CAADLO C[C@H](O)C[NH+]1CC(O)(CNC(=O)[C@@H]2CCC(=O)NC2)C1 ZINC001440060626 891350824 /nfs/dbraw/zinc/35/08/24/891350824.db2.gz FPIXXFLGBGAEDE-VHSXEESVSA-N 1 2 285.344 -1.944 20 0 CAADLO C[C@H](O)C[NH+]1CC(O)(CNC(=O)[C@@]2(C)CCNC(=O)C2)C1 ZINC001440051331 891351115 /nfs/dbraw/zinc/35/11/15/891351115.db2.gz GWOPUNHWXZQFGV-GWCFXTLKSA-N 1 2 299.371 -1.554 20 0 CAADLO C[C@@H](O)C[NH+]1CC(O)(CNC(=O)c2ccc(=O)n(C)c2)C1 ZINC001440063243 891351142 /nfs/dbraw/zinc/35/11/42/891351142.db2.gz QGGDOLOJPCPKPW-SNVBAGLBSA-N 1 2 295.339 -1.457 20 0 CAADLO C[C@H](O)C[NH+]1CC(O)(CNC(=O)[C@]2(C)CCNC(=O)C2)C1 ZINC001440051332 891351288 /nfs/dbraw/zinc/35/12/88/891351288.db2.gz GWOPUNHWXZQFGV-GXFFZTMASA-N 1 2 299.371 -1.554 20 0 CAADLO C[C@@H](O)C[NH+]1CC(O)(CNC(=O)[C@@H]2CCCC(=O)N2C)C1 ZINC001440091316 891352238 /nfs/dbraw/zinc/35/22/38/891352238.db2.gz ZYKPIYJYNAHFTK-MNOVXSKESA-N 1 2 299.371 -1.459 20 0 CAADLO CO[C@@H](C)C[NH+]1CC(O)(CNC(=O)C[C@H]2CCC(=O)N2)C1 ZINC001440085254 891352280 /nfs/dbraw/zinc/35/22/80/891352280.db2.gz NDBCESLOYLLVSI-WDEREUQCSA-N 1 2 299.371 -1.147 20 0 CAADLO CCCn1cc(C(=O)NCC2(O)C[NH+](C[C@@H](C)O)C2)nn1 ZINC001440089421 891352826 /nfs/dbraw/zinc/35/28/26/891352826.db2.gz PAVOMHQEJDHPBO-SNVBAGLBSA-N 1 2 297.359 -1.155 20 0 CAADLO CO[C@@H](C)C[NH+]1CC(O)(CNC(=O)c2cnn(C)n2)C1 ZINC001440083149 891353057 /nfs/dbraw/zinc/35/30/57/891353057.db2.gz BFHPBDRUJVYENJ-VIFPVBQESA-N 1 2 283.332 -1.374 20 0 CAADLO CC(C)OCC[NH+]1CC(O)(CNC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001440088591 891354283 /nfs/dbraw/zinc/35/42/83/891354283.db2.gz NZMRNLAJFLKADK-NSHDSACASA-N 1 2 299.371 -1.147 20 0 CAADLO C[C@H](O)C[NH+]1CC(O)(CNC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001440088674 891354746 /nfs/dbraw/zinc/35/47/46/891354746.db2.gz PJGGUWBWQKLAIR-IUCAKERBSA-N 1 2 271.317 -2.191 20 0 CAADLO C[C@H](O)C[NH+]1CC(O)(CNC(=O)CCn2cnnn2)C1 ZINC001440084375 891354896 /nfs/dbraw/zinc/35/48/96/891354896.db2.gz UKRATWMTHQTVEB-VIFPVBQESA-N 1 2 284.320 -2.393 20 0 CAADLO CC[NH+]1CC(O)(CNC(=O)CS(=O)(=O)N(C)C)C1 ZINC001440089362 891354922 /nfs/dbraw/zinc/35/49/22/891354922.db2.gz NVSOSNNTVNKXTK-UHFFFAOYSA-N 1 2 279.362 -1.939 20 0 CAADLO O=C(Cc1cnc[nH]1)N[C@@]1(CO)CCC[N@@H+](CCO)C1 ZINC001440187918 891355566 /nfs/dbraw/zinc/35/55/66/891355566.db2.gz MQNUKEBHLJHHIO-ZDUSSCGKSA-N 1 2 282.344 -1.112 20 0 CAADLO O=C(Cc1cnc[nH]1)N[C@@]1(CO)CCC[N@H+](CCO)C1 ZINC001440187918 891355578 /nfs/dbraw/zinc/35/55/78/891355578.db2.gz MQNUKEBHLJHHIO-ZDUSSCGKSA-N 1 2 282.344 -1.112 20 0 CAADLO NC(=O)NCCC(=O)NCC1(O)C[NH+](CCCF)C1 ZINC001440092196 891357077 /nfs/dbraw/zinc/35/70/77/891357077.db2.gz APMLRUOIYPDMCA-UHFFFAOYSA-N 1 2 276.312 -1.433 20 0 CAADLO NC(=O)CN1CC(O)(CNC(=O)CCCn2cc[nH+]c2)C1 ZINC001440102543 891357101 /nfs/dbraw/zinc/35/71/01/891357101.db2.gz VXTQNGCPMYDBOD-UHFFFAOYSA-N 1 2 295.343 -1.689 20 0 CAADLO COCC(=O)N[C@@]1(CO)CCC[N@H+](CC(=O)N2CCC2)C1 ZINC001440155922 891357874 /nfs/dbraw/zinc/35/78/74/891357874.db2.gz GDOYIMWMMBXTEU-AWEZNQCLSA-N 1 2 299.371 -1.192 20 0 CAADLO COCC(=O)N[C@@]1(CO)CCC[N@@H+](CC(=O)N2CCC2)C1 ZINC001440155922 891357889 /nfs/dbraw/zinc/35/78/89/891357889.db2.gz GDOYIMWMMBXTEU-AWEZNQCLSA-N 1 2 299.371 -1.192 20 0 CAADLO O=C(Cn1cc[nH+]c1)NCC1(O)CN([C@@H]2CCNC2=O)C1 ZINC001440098341 891358066 /nfs/dbraw/zinc/35/80/66/891358066.db2.gz CUZJYTFVHNHZHH-SNVBAGLBSA-N 1 2 293.327 -2.066 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@@](CO)(NC(=O)Cn2cnnn2)C1 ZINC001440171739 891358405 /nfs/dbraw/zinc/35/84/05/891358405.db2.gz DMDMOBGNHAFDCY-LLVKDONJSA-N 1 2 297.319 -2.899 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@@](CO)(NC(=O)Cn2cnnn2)C1 ZINC001440171739 891358418 /nfs/dbraw/zinc/35/84/18/891358418.db2.gz DMDMOBGNHAFDCY-LLVKDONJSA-N 1 2 297.319 -2.899 20 0 CAADLO CC[NH+]1CC(O)(CNC(=O)Cc2nc3ncccn3n2)C1 ZINC001440093858 891359278 /nfs/dbraw/zinc/35/92/78/891359278.db2.gz FDPCHIRMOSVJAI-UHFFFAOYSA-N 1 2 290.327 -1.150 20 0 CAADLO C[C@@H](O)C[N@@H+]1CCOC[C@H]1CNC(=O)CCCC(N)=O ZINC001440267529 891363093 /nfs/dbraw/zinc/36/30/93/891363093.db2.gz CWNBRQMMFCJWNC-GHMZBOCLSA-N 1 2 287.360 -1.160 20 0 CAADLO C[C@@H](O)C[N@H+]1CCOC[C@H]1CNC(=O)CCCC(N)=O ZINC001440267529 891363106 /nfs/dbraw/zinc/36/31/06/891363106.db2.gz CWNBRQMMFCJWNC-GHMZBOCLSA-N 1 2 287.360 -1.160 20 0 CAADLO C[C@H](O)C[N@@H+]1CCOC[C@H]1CNC(=O)CCCC(N)=O ZINC001440267537 891364250 /nfs/dbraw/zinc/36/42/50/891364250.db2.gz CWNBRQMMFCJWNC-WDEREUQCSA-N 1 2 287.360 -1.160 20 0 CAADLO C[C@H](O)C[N@H+]1CCOC[C@H]1CNC(=O)CCCC(N)=O ZINC001440267537 891364262 /nfs/dbraw/zinc/36/42/62/891364262.db2.gz CWNBRQMMFCJWNC-WDEREUQCSA-N 1 2 287.360 -1.160 20 0 CAADLO CC[NH+]1CC2(C1)CN(C(=O)CNC(=O)NC)CCO2 ZINC001440483464 891368188 /nfs/dbraw/zinc/36/81/88/891368188.db2.gz LUDMOMQENYYQLQ-UHFFFAOYSA-N 1 2 270.333 -1.152 20 0 CAADLO C[C@@H]1[C@@H](NC(=O)c2cn[nH]c2)CC[N@@H+]1CC(=O)NC(N)=O ZINC001440477846 891372260 /nfs/dbraw/zinc/37/22/60/891372260.db2.gz IHKSMVXQWVIIHX-APPZFPTMSA-N 1 2 294.315 -1.203 20 0 CAADLO C[C@@H]1[C@@H](NC(=O)c2cn[nH]c2)CC[N@H+]1CC(=O)NC(N)=O ZINC001440477846 891372263 /nfs/dbraw/zinc/37/22/63/891372263.db2.gz IHKSMVXQWVIIHX-APPZFPTMSA-N 1 2 294.315 -1.203 20 0 CAADLO CC(C)[C@@H](O)C(=O)N[C@@H]1COC2(C[NH+](CCO)C2)C1 ZINC001440509578 891373659 /nfs/dbraw/zinc/37/36/59/891373659.db2.gz SWZUVQYVXRHITO-WDEREUQCSA-N 1 2 272.345 -1.045 20 0 CAADLO CC(=O)N[C@H](C)C(=O)NC[C@@H]1CCC2(C[NH+](CCO)C2)O1 ZINC001440501858 891374950 /nfs/dbraw/zinc/37/49/50/891374950.db2.gz USSHNUHFFXLDAN-PWSUYJOCSA-N 1 2 299.371 -1.147 20 0 CAADLO CC(=O)NC1(CO)CC[NH+](CCS(C)(=O)=O)CC1 ZINC001440689732 891376792 /nfs/dbraw/zinc/37/67/92/891376792.db2.gz CLOXNKBWWCUUKV-UHFFFAOYSA-N 1 2 278.374 -1.006 20 0 CAADLO NC(=O)C[NH+]1CCC(CO)(NC(=O)[C@@H]2CCCO2)CC1 ZINC001440689541 891377747 /nfs/dbraw/zinc/37/77/47/891377747.db2.gz ODCUTILOAYCNTL-JTQLQIEISA-N 1 2 285.344 -1.406 20 0 CAADLO Cc1ncc(C(=O)NC2(CO)CC[NH+](CC(N)=O)CC2)[nH]1 ZINC001440697219 891378077 /nfs/dbraw/zinc/37/80/77/891378077.db2.gz MKTVKLJDJLUBNU-UHFFFAOYSA-N 1 2 295.343 -1.240 20 0 CAADLO C[C@@H](NC(=O)c1ncn(C)n1)[C@H](C)[NH2+]Cc1nnn(C)n1 ZINC001440801762 891381026 /nfs/dbraw/zinc/38/10/26/891381026.db2.gz PSGPLIORTFMTPQ-JGVFFNPUSA-N 1 2 293.335 -1.365 20 0 CAADLO C[C@@H](NC(=O)c1ncn(C)n1)[C@@H](C)[NH2+]Cc1nnn(C)n1 ZINC001440801760 891382128 /nfs/dbraw/zinc/38/21/28/891382128.db2.gz PSGPLIORTFMTPQ-HTQZYQBOSA-N 1 2 293.335 -1.365 20 0 CAADLO CC(=O)N(C)CC(=O)N[C@H](C)[C@@H](C)[NH2+]Cc1nnn(C)n1 ZINC001440786745 891382697 /nfs/dbraw/zinc/38/26/97/891382697.db2.gz QMOOUUMPHZTXDJ-RKDXNWHRSA-N 1 2 297.363 -1.329 20 0 CAADLO CNC(=O)NCC(=O)N[C@H](C)[C@@H](C)[NH2+]Cc1nnn(C)n1 ZINC001440793378 891383403 /nfs/dbraw/zinc/38/34/03/891383403.db2.gz WOSHXKZCUBDMPJ-HTQZYQBOSA-N 1 2 298.351 -1.878 20 0 CAADLO CNC(=O)NCC(=O)N[C@@H](C)[C@H](C)[NH2+]Cc1nnn(C)n1 ZINC001440793386 891383469 /nfs/dbraw/zinc/38/34/69/891383469.db2.gz WOSHXKZCUBDMPJ-YUMQZZPRSA-N 1 2 298.351 -1.878 20 0 CAADLO C[C@H](NC(=O)c1nnc[nH]1)[C@H](C)[NH2+]Cc1nnnn1C ZINC001440835606 891385242 /nfs/dbraw/zinc/38/52/42/891385242.db2.gz JCSXUDAUJNHZBY-BQBZGAKWSA-N 1 2 279.308 -1.375 20 0 CAADLO NC(=O)C(NC(=O)[C@H]1CCc2[nH+]ccn2C1)C(N)=O ZINC001440863483 891385360 /nfs/dbraw/zinc/38/53/60/891385360.db2.gz RNWMFOXHNFKCQI-LURJTMIESA-N 1 2 265.273 -2.099 20 0 CAADLO C[C@@H]([NH2+]Cc1nnnn1C)[C@H](C)NC(=O)c1nnc[nH]1 ZINC001440835615 891387292 /nfs/dbraw/zinc/38/72/92/891387292.db2.gz JCSXUDAUJNHZBY-RQJHMYQMSA-N 1 2 279.308 -1.375 20 0 CAADLO C[C@@H](O)C[NH+]1CC(CCO)(NC(=O)C2=COCCO2)C1 ZINC001441020365 891396089 /nfs/dbraw/zinc/39/60/89/891396089.db2.gz KQKOZVWPEOHANE-SNVBAGLBSA-N 1 2 286.328 -1.192 20 0 CAADLO CC(=O)NCC(=O)NCCN1CC[NH+]([C@H](C)C(N)=O)CC1 ZINC001441037851 891396204 /nfs/dbraw/zinc/39/62/04/891396204.db2.gz HNVSVPADFYGNAJ-SNVBAGLBSA-N 1 2 299.375 -2.270 20 0 CAADLO CNC(=O)C[N@@H+]1CCC[C@H](NC(=O)[C@H](COC)OC)C1 ZINC001441035887 891397030 /nfs/dbraw/zinc/39/70/30/891397030.db2.gz ONFXMFFXRYTIPC-QWRGUYRKSA-N 1 2 287.360 -1.026 20 0 CAADLO CNC(=O)C[N@H+]1CCC[C@H](NC(=O)[C@H](COC)OC)C1 ZINC001441035887 891397047 /nfs/dbraw/zinc/39/70/47/891397047.db2.gz ONFXMFFXRYTIPC-QWRGUYRKSA-N 1 2 287.360 -1.026 20 0 CAADLO CC(=O)NCC(=O)NCCN1CC[NH+]([C@@H](C)C(N)=O)CC1 ZINC001441037847 891397101 /nfs/dbraw/zinc/39/71/01/891397101.db2.gz HNVSVPADFYGNAJ-JTQLQIEISA-N 1 2 299.375 -2.270 20 0 CAADLO CC(=O)N(C)CC(=O)NC1(CCO)C[NH+](CCO)C1 ZINC001441038236 891397254 /nfs/dbraw/zinc/39/72/54/891397254.db2.gz SULKWXLCBWRBGM-UHFFFAOYSA-N 1 2 273.333 -1.990 20 0 CAADLO CC(=O)N(C)CC(=O)NC1(CCO)C[NH+](CCCO)C1 ZINC001441036196 891397508 /nfs/dbraw/zinc/39/75/08/891397508.db2.gz NTAVFZRMGBBQOG-UHFFFAOYSA-N 1 2 287.360 -1.600 20 0 CAADLO CCNC(=O)CCC(=O)NC1(CCO)C[NH+](CCO)C1 ZINC001441034574 891397820 /nfs/dbraw/zinc/39/78/20/891397820.db2.gz FCNMWZBGIUKUGN-UHFFFAOYSA-N 1 2 287.360 -1.552 20 0 CAADLO COCC[NH+]1CC(CCO)(NC(=O)CCn2ccnn2)C1 ZINC001441040176 891400353 /nfs/dbraw/zinc/40/03/53/891400353.db2.gz YFHDGMDRTLHYBX-UHFFFAOYSA-N 1 2 297.359 -1.132 20 0 CAADLO COCC(=O)N[C@H]1CC[N@H+](CC(=O)N2CCNC(=O)C2)C1 ZINC001441080893 891400478 /nfs/dbraw/zinc/40/04/78/891400478.db2.gz CWWDWCBERTYJAZ-JTQLQIEISA-N 1 2 298.343 -2.218 20 0 CAADLO COCC(=O)N[C@H]1CC[N@@H+](CC(=O)N2CCNC(=O)C2)C1 ZINC001441080893 891400489 /nfs/dbraw/zinc/40/04/89/891400489.db2.gz CWWDWCBERTYJAZ-JTQLQIEISA-N 1 2 298.343 -2.218 20 0 CAADLO O=C(Cn1cncn1)NCC[NH+]1CCN(CCF)CC1 ZINC001441080373 891400652 /nfs/dbraw/zinc/40/06/52/891400652.db2.gz QOYIGQFKJAQPJG-UHFFFAOYSA-N 1 2 284.339 -1.019 20 0 CAADLO O=C(NC1(CCO)C[NH+](CCO)C1)[C@H]1CNC(=O)N1 ZINC001441063802 891400663 /nfs/dbraw/zinc/40/06/63/891400663.db2.gz JEKICEVTPVHNEB-MRVPVSSYSA-N 1 2 272.305 -2.787 20 0 CAADLO NC(=O)[C@@H]1C[C@@H]1C(=O)NC1(CCO)C[NH+](CCO)C1 ZINC001441068863 891400712 /nfs/dbraw/zinc/40/07/12/891400712.db2.gz QZKNPXTWNMLDBD-BDAKNGLRSA-N 1 2 271.317 -2.347 20 0 CAADLO CCOCC(=O)N[C@H]1CC[N@H+](CCNS(C)(=O)=O)C1 ZINC001441080607 891400737 /nfs/dbraw/zinc/40/07/37/891400737.db2.gz JWFPSFPAVKQWDG-JTQLQIEISA-N 1 2 293.389 -1.237 20 0 CAADLO CCOCC(=O)N[C@H]1CC[N@@H+](CCNS(C)(=O)=O)C1 ZINC001441080607 891400742 /nfs/dbraw/zinc/40/07/42/891400742.db2.gz JWFPSFPAVKQWDG-JTQLQIEISA-N 1 2 293.389 -1.237 20 0 CAADLO CO[C@H](C)C(=O)NCCN1CC[NH+]([C@@H]2CCNC2=O)CC1 ZINC001441050941 891400897 /nfs/dbraw/zinc/40/08/97/891400897.db2.gz RGUUELVTKYIGGS-VXGBXAGGSA-N 1 2 298.387 -1.356 20 0 CAADLO CC[NH+]1CC(CCO)(NC(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC001441054621 891401002 /nfs/dbraw/zinc/40/10/02/891401002.db2.gz MVPLGSSUUPJIOM-VIFPVBQESA-N 1 2 270.333 -1.417 20 0 CAADLO CC(=O)N1CC(C(=O)NC2(CCO)C[NH+](CCCO)C2)C1 ZINC001441039174 891401055 /nfs/dbraw/zinc/40/10/55/891401055.db2.gz TXVOOVYPVZYGHM-UHFFFAOYSA-N 1 2 299.371 -1.600 20 0 CAADLO COC[C@H](C)[NH+]1CC(CCO)(NC(=O)Cc2nc[nH]n2)C1 ZINC001441068097 891401232 /nfs/dbraw/zinc/40/12/32/891401232.db2.gz KCTANEHVFRFOKE-JTQLQIEISA-N 1 2 297.359 -1.065 20 0 CAADLO CCOCC(=O)NCCN1CC[NH+]([C@H]2CCNC2=O)CC1 ZINC001441040856 891401568 /nfs/dbraw/zinc/40/15/68/891401568.db2.gz YQGMFMYPESSQNQ-LBPRGKRZSA-N 1 2 298.387 -1.355 20 0 CAADLO C[C@H](O)C[NH+]1CC(CCO)(NC(=O)Cn2cncn2)C1 ZINC001441067725 891401627 /nfs/dbraw/zinc/40/16/27/891401627.db2.gz BDYQRUPNHNKXAH-JTQLQIEISA-N 1 2 283.332 -1.788 20 0 CAADLO CC[NH+]1CC(CCO)(NC(=O)Cn2ncn(C)c2=O)C1 ZINC001441046256 891401652 /nfs/dbraw/zinc/40/16/52/891401652.db2.gz XDKZHTFONHWDNR-UHFFFAOYSA-N 1 2 283.332 -1.845 20 0 CAADLO C[C@H](NC(=O)[C@@]1(C)CCC(=O)NC1)C1C[NH+](CC(N)=O)C1 ZINC001441177741 891403345 /nfs/dbraw/zinc/40/33/45/891403345.db2.gz QHIOXZJKGXGLIN-XPTSAGLGSA-N 1 2 296.371 -1.176 20 0 CAADLO CNC(=O)C[NH+]1CC([C@@H](C)NC(=O)CNC(=O)NC)C1 ZINC001441150705 891403517 /nfs/dbraw/zinc/40/35/17/891403517.db2.gz PIBHVFSWADSCBM-MRVPVSSYSA-N 1 2 285.348 -1.902 20 0 CAADLO C[C@H](CC(N)=O)C(=O)N[C@@H](C)C1C[NH+](CC(N)=O)C1 ZINC001441170655 891403586 /nfs/dbraw/zinc/40/35/86/891403586.db2.gz VAMCUHZLSITYNM-SFYZADRCSA-N 1 2 270.333 -1.580 20 0 CAADLO CNC(=O)C[NH+]1CC([C@@H](C)NC(=O)CNC(=O)OC)C1 ZINC001441152100 891404676 /nfs/dbraw/zinc/40/46/76/891404676.db2.gz HGXNVNHOPHAATG-MRVPVSSYSA-N 1 2 286.332 -1.475 20 0 CAADLO CNC(=O)C[NH+]1CC([C@H](C)NC(=O)CNC(=O)NC)C1 ZINC001441150719 891404878 /nfs/dbraw/zinc/40/48/78/891404878.db2.gz PIBHVFSWADSCBM-QMMMGPOBSA-N 1 2 285.348 -1.902 20 0 CAADLO C[C@@H](NC(=O)[C@@H](C)CC(N)=O)C1C[NH+](CC(N)=O)C1 ZINC001441170654 891405202 /nfs/dbraw/zinc/40/52/02/891405202.db2.gz VAMCUHZLSITYNM-JGVFFNPUSA-N 1 2 270.333 -1.580 20 0 CAADLO CNC(=O)NCCC(=O)N[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001441098027 891405433 /nfs/dbraw/zinc/40/54/33/891405433.db2.gz TVDCMDKZGIFDRG-QMMMGPOBSA-N 1 2 271.321 -2.019 20 0 CAADLO CNC(=O)NCCC(=O)N[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001441098027 891405439 /nfs/dbraw/zinc/40/54/39/891405439.db2.gz TVDCMDKZGIFDRG-QMMMGPOBSA-N 1 2 271.321 -2.019 20 0 CAADLO CNC(=O)NCCC(=O)N[C@@H]1C[N@H+](CC(N)=O)CC1(C)C ZINC001441245351 891406369 /nfs/dbraw/zinc/40/63/69/891406369.db2.gz MRPULYAXPPAOEH-SECBINFHSA-N 1 2 299.375 -1.383 20 0 CAADLO CNC(=O)NCCC(=O)N[C@@H]1C[N@@H+](CC(N)=O)CC1(C)C ZINC001441245351 891406380 /nfs/dbraw/zinc/40/63/80/891406380.db2.gz MRPULYAXPPAOEH-SECBINFHSA-N 1 2 299.375 -1.383 20 0 CAADLO COC(=O)C[C@@H]1C(=O)NCCN1C(=O)Cc1c[nH+]cn1C ZINC001441253929 891406845 /nfs/dbraw/zinc/40/68/45/891406845.db2.gz USFOYMPNRCHGAO-SNVBAGLBSA-N 1 2 294.311 -1.147 20 0 CAADLO CNC(=O)NCCC(=O)N[C@H]1C[N@H+](CC(N)=O)CC1(C)C ZINC001441245357 891407765 /nfs/dbraw/zinc/40/77/65/891407765.db2.gz MRPULYAXPPAOEH-VIFPVBQESA-N 1 2 299.375 -1.383 20 0 CAADLO CNC(=O)NCCC(=O)N[C@H]1C[N@@H+](CC(N)=O)CC1(C)C ZINC001441245357 891407771 /nfs/dbraw/zinc/40/77/71/891407771.db2.gz MRPULYAXPPAOEH-VIFPVBQESA-N 1 2 299.375 -1.383 20 0 CAADLO CC(=O)N[C@H](C)C(=O)N[C@H]1C[N@H+](CC(N)=O)CC1(C)C ZINC001441230088 891408402 /nfs/dbraw/zinc/40/84/02/891408402.db2.gz PYGPSGFQTVBMNQ-SCZZXKLOSA-N 1 2 284.360 -1.177 20 0 CAADLO CC(=O)N[C@H](C)C(=O)N[C@H]1C[N@@H+](CC(N)=O)CC1(C)C ZINC001441230088 891408410 /nfs/dbraw/zinc/40/84/10/891408410.db2.gz PYGPSGFQTVBMNQ-SCZZXKLOSA-N 1 2 284.360 -1.177 20 0 CAADLO COCC(=O)NC[C@H](CO)[NH2+][C@@H](C)c1nncn1C ZINC001441651389 891419190 /nfs/dbraw/zinc/41/91/90/891419190.db2.gz QXVAADFPSZXIQW-DTWKUNHWSA-N 1 2 271.321 -1.411 20 0 CAADLO O=C(NC[C@H](CO)[NH2+]Cc1nnnn1C1CC1)C1CC1 ZINC001441653334 891419628 /nfs/dbraw/zinc/41/96/28/891419628.db2.gz KPGCJXAHQCDYES-SECBINFHSA-N 1 2 280.332 -1.015 20 0 CAADLO CC(=O)NCC(=O)NC[C@H](CO)[NH2+][C@@H](C)c1nnc(C)[nH]1 ZINC001441656297 891420163 /nfs/dbraw/zinc/42/01/63/891420163.db2.gz CHNIHAGBJNKULY-OIBJUYFYSA-N 1 2 298.347 -1.623 20 0 CAADLO COCC(=O)NC[C@@H](CO)[NH2+][C@@H](C)c1nncn1C ZINC001441651391 891420264 /nfs/dbraw/zinc/42/02/64/891420264.db2.gz QXVAADFPSZXIQW-IUCAKERBSA-N 1 2 271.321 -1.411 20 0 CAADLO COCCC(=O)NC[C@@H](CO)[NH2+]Cc1nncn1C ZINC001441647699 891420710 /nfs/dbraw/zinc/42/07/10/891420710.db2.gz BOYIZWUXJMKAPI-VIFPVBQESA-N 1 2 271.321 -1.582 20 0 CAADLO COCC(=O)NC[C@H](CO)[NH2+][C@H](C)c1nncn1C ZINC001441651392 891421123 /nfs/dbraw/zinc/42/11/23/891421123.db2.gz QXVAADFPSZXIQW-RKDXNWHRSA-N 1 2 271.321 -1.411 20 0 CAADLO C[C@H](CC(N)=O)C(=O)NC[C@H]1CCCC[N@@H+]1CC(N)=O ZINC001441641021 891421262 /nfs/dbraw/zinc/42/12/62/891421262.db2.gz HWKSVONOJVKBIE-NXEZZACHSA-N 1 2 284.360 -1.046 20 0 CAADLO C[C@H](CC(N)=O)C(=O)NC[C@H]1CCCC[N@H+]1CC(N)=O ZINC001441641021 891421269 /nfs/dbraw/zinc/42/12/69/891421269.db2.gz HWKSVONOJVKBIE-NXEZZACHSA-N 1 2 284.360 -1.046 20 0 CAADLO CCOCC(=O)NC[C@H](CO)[NH2+][C@H](C)c1nncn1C ZINC001441663000 891422912 /nfs/dbraw/zinc/42/29/12/891422912.db2.gz GXMIUAPUXQYBAD-NXEZZACHSA-N 1 2 285.348 -1.021 20 0 CAADLO CC(=O)NCC(=O)NC[C@H](CO)[NH2+]Cc1ncc(C)cn1 ZINC001441664686 891423425 /nfs/dbraw/zinc/42/34/25/891423425.db2.gz VNGLZZGLIUGBHI-LLVKDONJSA-N 1 2 295.343 -1.512 20 0 CAADLO CC(=O)NCC(=O)NC[C@H](CO)[NH2+][C@H](C)c1nnnn1C ZINC001441663224 891423804 /nfs/dbraw/zinc/42/38/04/891423804.db2.gz SUOLFGARVCKCLQ-VXNVDRBHSA-N 1 2 299.335 -2.526 20 0 CAADLO CC(=O)N[C@@H](C)C(=O)NC[C@@H](CO)[NH2+]Cc1ccon1 ZINC001441660941 891424054 /nfs/dbraw/zinc/42/40/54/891424054.db2.gz CXDZNFPTKRVWLX-KWQFWETISA-N 1 2 284.316 -1.234 20 0 CAADLO CC(=O)NCC(=O)NC[C@@H](CO)[NH2+]Cc1ncc(C)cn1 ZINC001441664687 891424223 /nfs/dbraw/zinc/42/42/23/891424223.db2.gz VNGLZZGLIUGBHI-NSHDSACASA-N 1 2 295.343 -1.512 20 0 CAADLO O=C(Cn1cnnn1)NC[C@@H](CO)[NH2+]Cc1ccon1 ZINC001441663576 891424357 /nfs/dbraw/zinc/42/43/57/891424357.db2.gz ICZKZRGLNHKEPL-VIFPVBQESA-N 1 2 281.276 -2.072 20 0 CAADLO Cc1occc1C(=O)NC[C@@H](CO)[NH2+]Cc1nnnn1C ZINC001441669794 891426366 /nfs/dbraw/zinc/42/63/66/891426366.db2.gz QWLVCMUKSUJNQY-VIFPVBQESA-N 1 2 294.315 -1.008 20 0 CAADLO Cn1cnnc1C[NH2+][C@@H](CO)CNC(=O)[C@H]1CCC(=O)N1 ZINC001441677578 891427601 /nfs/dbraw/zinc/42/76/01/891427601.db2.gz FYIGZWNVJVUDFG-RKDXNWHRSA-N 1 2 296.331 -2.340 20 0 CAADLO Cn1[nH]c(C[NH2+][C@@H](CO)CNC(=O)c2ccon2)nc1=O ZINC001441671575 891428085 /nfs/dbraw/zinc/42/80/85/891428085.db2.gz TXDDAXFRDSVLOC-SSDOTTSWSA-N 1 2 296.287 -2.023 20 0 CAADLO Cn1[nH]c(C[NH2+][C@H](CO)CNC(=O)c2ccon2)nc1=O ZINC001441671580 891428140 /nfs/dbraw/zinc/42/81/40/891428140.db2.gz TXDDAXFRDSVLOC-ZETCQYMHSA-N 1 2 296.287 -2.023 20 0 CAADLO Cc1ocnc1C(=O)NC[C@@H](CO)[NH2+]Cc1cn(C)nn1 ZINC001441670581 891428197 /nfs/dbraw/zinc/42/81/97/891428197.db2.gz INKCTSGOFLRESB-JTQLQIEISA-N 1 2 294.315 -1.008 20 0 CAADLO Cc1cc(C(=O)NC[C@H](CO)[NH2+]Cc2cnn(C)n2)no1 ZINC001441669479 891428201 /nfs/dbraw/zinc/42/82/01/891428201.db2.gz PPMLVFCUHGVJDM-SNVBAGLBSA-N 1 2 294.315 -1.008 20 0 CAADLO CC(C)OCC(=O)NC[C@H](CO)[NH2+]Cc1ncnn1C ZINC001441676395 891428207 /nfs/dbraw/zinc/42/82/07/891428207.db2.gz RRXVKESWDNXCGU-SNVBAGLBSA-N 1 2 285.348 -1.193 20 0 CAADLO O=C(NC[C@H](CO)[NH2+]Cc1cscn1)[C@H]1CCC(=O)N1 ZINC001441677909 891428228 /nfs/dbraw/zinc/42/82/28/891428228.db2.gz GPTCYANSJDOUPX-PSASIEDQSA-N 1 2 298.368 -1.012 20 0 CAADLO Cc1cc(C(=O)NC[C@@H](CO)[NH2+]Cc2ncnn2C)no1 ZINC001441669310 891428238 /nfs/dbraw/zinc/42/82/38/891428238.db2.gz PGEMJBWKKBVNNS-VIFPVBQESA-N 1 2 294.315 -1.008 20 0 CAADLO O=C(NC[C@H](CO)[NH2+]Cc1ccon1)[C@H]1CCC(=O)N1 ZINC001441683854 891429426 /nfs/dbraw/zinc/42/94/26/891429426.db2.gz URFWDJQIKIMVHG-NXEZZACHSA-N 1 2 282.300 -1.480 20 0 CAADLO Cn1nnnc1C[NH2+][C@@H](CO)CNC(=O)CC(C)(C)O ZINC001441693174 891430867 /nfs/dbraw/zinc/43/08/67/891430867.db2.gz GEOWTZFEWUMLBI-MRVPVSSYSA-N 1 2 286.336 -2.062 20 0 CAADLO Cn1nnnc1C[NH2+][C@H](CO)CNC(=O)[C@@H]1CC1(C)C ZINC001441686221 891430907 /nfs/dbraw/zinc/43/09/07/891430907.db2.gz SBAVUDPNEVQNBU-IUCAKERBSA-N 1 2 282.348 -1.177 20 0 CAADLO Cn1cc(C[NH2+][C@H](CO)CNC(=O)[C@H]2CCC(=O)N2)nn1 ZINC001441678805 891431172 /nfs/dbraw/zinc/43/11/72/891431172.db2.gz IKQHAINDRXYDFH-VHSXEESVSA-N 1 2 296.331 -2.340 20 0 CAADLO Cn1cnnc1C[NH2+][C@H](CO)CNC(=O)[C@H]1COC(=O)N1 ZINC001441700524 891433659 /nfs/dbraw/zinc/43/36/59/891433659.db2.gz SMURHONKHRMLJD-JGVFFNPUSA-N 1 2 298.303 -2.510 20 0 CAADLO Cn1cnnc1C[NH2+][C@H](CO)CNC(=O)[C@@H]1COC(=O)N1 ZINC001441700527 891435134 /nfs/dbraw/zinc/43/51/34/891435134.db2.gz SMURHONKHRMLJD-YUMQZZPRSA-N 1 2 298.303 -2.510 20 0 CAADLO Cn1cnnc1C[NH2+][C@H](CO)CNC(=O)c1ncc[nH]1 ZINC001441702557 891435143 /nfs/dbraw/zinc/43/51/43/891435143.db2.gz LFPPUBOGPSYVDW-QMMMGPOBSA-N 1 2 279.304 -1.581 20 0 CAADLO Cc1cnc(C[NH2+][C@@H](CO)CNC(=O)c2cn[nH]n2)cn1 ZINC001441707124 891436082 /nfs/dbraw/zinc/43/60/82/891436082.db2.gz BIFUQSUNCAEHJG-SNVBAGLBSA-N 1 2 291.315 -1.216 20 0 CAADLO Cc1cnc(C[NH2+][C@@H](CO)CNC(=O)c2cnn[nH]2)cn1 ZINC001441707124 891436088 /nfs/dbraw/zinc/43/60/88/891436088.db2.gz BIFUQSUNCAEHJG-SNVBAGLBSA-N 1 2 291.315 -1.216 20 0 CAADLO Cc1cnc(C[NH2+][C@H](CO)CNC(=O)c2cn[nH]n2)cn1 ZINC001441707121 891436486 /nfs/dbraw/zinc/43/64/86/891436486.db2.gz BIFUQSUNCAEHJG-JTQLQIEISA-N 1 2 291.315 -1.216 20 0 CAADLO Cc1cnc(C[NH2+][C@H](CO)CNC(=O)c2cnn[nH]2)cn1 ZINC001441707121 891436496 /nfs/dbraw/zinc/43/64/96/891436496.db2.gz BIFUQSUNCAEHJG-JTQLQIEISA-N 1 2 291.315 -1.216 20 0 CAADLO Cc1nonc1C[NH2+][C@H](CO)CNC(=O)c1ncn(C)n1 ZINC001441708147 891437144 /nfs/dbraw/zinc/43/71/44/891437144.db2.gz WVZPJLKETOVIDI-QMMMGPOBSA-N 1 2 295.303 -1.613 20 0 CAADLO Cn1nnnc1C[NH2+][C@@H](CO)CNC(=O)c1cc(F)c[nH]1 ZINC001441713046 891437364 /nfs/dbraw/zinc/43/73/64/891437364.db2.gz CELNVAIZPPRNNR-MRVPVSSYSA-N 1 2 297.294 -1.442 20 0 CAADLO Cc1nn[nH]c1C(=O)NC[C@@H](CO)[NH2+]Cc1ccon1 ZINC001441733074 891440116 /nfs/dbraw/zinc/44/01/16/891440116.db2.gz PQLYTZLOOQEVCT-VIFPVBQESA-N 1 2 280.288 -1.018 20 0 CAADLO Cn1nnnc1C[NH2+][C@@H](CO)CNC(=O)C1(C)CCC1 ZINC001441734405 891440720 /nfs/dbraw/zinc/44/07/20/891440720.db2.gz SIICESXGIYEGKY-SECBINFHSA-N 1 2 282.348 -1.033 20 0 CAADLO Cc1n[nH]cc1C(=O)NC[C@@H](CO)[NH2+]Cc1cn(C)nn1 ZINC001441721069 891441074 /nfs/dbraw/zinc/44/10/74/891441074.db2.gz FVVDGFNCEIYBJJ-JTQLQIEISA-N 1 2 293.331 -1.273 20 0 CAADLO Cc1nnc(C[NH2+][C@@H](CO)CNC(=O)Cc2cnoc2)[nH]1 ZINC001441742076 891441554 /nfs/dbraw/zinc/44/15/54/891441554.db2.gz UZRIVQOQEPHKRO-SNVBAGLBSA-N 1 2 294.315 -1.089 20 0 CAADLO Cc1nocc1C(=O)NC[C@@H](CO)[NH2+]Cc1cn(C)nn1 ZINC001441746116 891443680 /nfs/dbraw/zinc/44/36/80/891443680.db2.gz PIYMRSCBRMDVQS-JTQLQIEISA-N 1 2 294.315 -1.008 20 0 CAADLO Cn1ncc(C(=O)NC[C@H](CO)[NH2+]Cc2ccon2)n1 ZINC001441752940 891443793 /nfs/dbraw/zinc/44/37/93/891443793.db2.gz MSSLXHOYGWURQE-SECBINFHSA-N 1 2 280.288 -1.316 20 0 CAADLO Cc1nocc1C(=O)NC[C@H](CO)[NH2+]Cc1cn(C)nn1 ZINC001441746117 891444324 /nfs/dbraw/zinc/44/43/24/891444324.db2.gz PIYMRSCBRMDVQS-SNVBAGLBSA-N 1 2 294.315 -1.008 20 0 CAADLO Cn1cc(C[NH2+][C@H](CO)CNC(=O)c2ccnnc2)nn1 ZINC001441750935 891445231 /nfs/dbraw/zinc/44/52/31/891445231.db2.gz NOPCIDFLLWCHQS-NSHDSACASA-N 1 2 291.315 -1.514 20 0 CAADLO Cn1ncc(C[NH2+][C@@H](CO)CNC(=O)Cc2nc[nH]n2)n1 ZINC001441780621 891450097 /nfs/dbraw/zinc/45/00/97/891450097.db2.gz RXRUUILMPPBHMO-SECBINFHSA-N 1 2 294.319 -2.257 20 0 CAADLO Cn1ncc(C[NH2+][C@H](CO)CNC(=O)Cc2nc[nH]n2)n1 ZINC001441780625 891450570 /nfs/dbraw/zinc/45/05/70/891450570.db2.gz RXRUUILMPPBHMO-VIFPVBQESA-N 1 2 294.319 -2.257 20 0 CAADLO O=C(Cc1nnc[nH]1)NC[C@@H](CO)[NH2+]CC(=O)N1CCC1 ZINC001441777855 891450788 /nfs/dbraw/zinc/45/07/88/891450788.db2.gz PBBNEXIIZLYUMI-VIFPVBQESA-N 1 2 296.331 -2.354 20 0 CAADLO CO[C@@H](C)C(=O)NC[C@H](C)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001441791399 891454769 /nfs/dbraw/zinc/45/47/69/891454769.db2.gz MPXRATJXKJWREI-YUMQZZPRSA-N 1 2 271.321 -1.262 20 0 CAADLO Cc1nonc1C[NH2+][C@@H](CO)CNC(=O)c1nonc1C ZINC001441793944 891456211 /nfs/dbraw/zinc/45/62/11/891456211.db2.gz GQLIZMZLPLIOCJ-MRVPVSSYSA-N 1 2 296.287 -1.050 20 0 CAADLO C[C@H](CNC(=O)C1CS(=O)(=O)C1)[NH2+]Cc1cnon1 ZINC001441843853 891459125 /nfs/dbraw/zinc/45/91/25/891459125.db2.gz KZIRQJAYLOVWPW-SSDOTTSWSA-N 1 2 288.329 -1.292 20 0 CAADLO C[C@@H](CNC(=O)c1nnn(C)n1)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001441910154 891461443 /nfs/dbraw/zinc/46/14/43/891461443.db2.gz FFUFXMZPFKKWOS-LURJTMIESA-N 1 2 295.307 -2.460 20 0 CAADLO CNC(=O)NCC(=O)NC[C@H](C)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001441876031 891462928 /nfs/dbraw/zinc/46/29/28/891462928.db2.gz YETFLOXKSPUQTE-ZETCQYMHSA-N 1 2 299.335 -2.368 20 0 CAADLO C[C@H](CNC(=O)c1cnn(C)n1)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001441991426 891471834 /nfs/dbraw/zinc/47/18/34/891471834.db2.gz RXBBIUSYJJNZQU-SSDOTTSWSA-N 1 2 294.319 -1.855 20 0 CAADLO Cc1noc(C[NH2+]C[C@H](O)CN(C)C(=O)c2nc[nH]n2)n1 ZINC001442029538 891475291 /nfs/dbraw/zinc/47/52/91/891475291.db2.gz ZOHQTAYWEHPVAM-QMMMGPOBSA-N 1 2 295.303 -1.281 20 0 CAADLO CN(C)C(=O)C[NH2+]C[C@H](O)CN(C)C(=O)Cc1ncn[nH]1 ZINC001442037334 891476263 /nfs/dbraw/zinc/47/62/63/891476263.db2.gz JJARAHXPQPKHOR-VIFPVBQESA-N 1 2 298.347 -2.156 20 0 CAADLO COCC[N@H+](CCNC(=O)[C@@]1(C)CCOC1)CC(N)=O ZINC001442181133 891483457 /nfs/dbraw/zinc/48/34/57/891483457.db2.gz CZLXSBZNILSGMB-ZDUSSCGKSA-N 1 2 287.360 -1.037 20 0 CAADLO COCC[N@@H+](CCNC(=O)[C@@]1(C)CCOC1)CC(N)=O ZINC001442181133 891483467 /nfs/dbraw/zinc/48/34/67/891483467.db2.gz CZLXSBZNILSGMB-ZDUSSCGKSA-N 1 2 287.360 -1.037 20 0 CAADLO CCNC(=O)C[NH2+][C@H]1CCN(C(=O)Cc2ncn[nH]2)C1 ZINC001442108544 891483792 /nfs/dbraw/zinc/48/37/92/891483792.db2.gz CZPVRIOZVZRNNX-VIFPVBQESA-N 1 2 280.332 -1.326 20 0 CAADLO COCC[N@H+](CCNC(=O)c1cccnn1)CC(N)=O ZINC001442183782 891484038 /nfs/dbraw/zinc/48/40/38/891484038.db2.gz KJOGWNTUVQELAK-UHFFFAOYSA-N 1 2 281.316 -1.360 20 0 CAADLO COCC[N@@H+](CCNC(=O)c1cccnn1)CC(N)=O ZINC001442183782 891484042 /nfs/dbraw/zinc/48/40/42/891484042.db2.gz KJOGWNTUVQELAK-UHFFFAOYSA-N 1 2 281.316 -1.360 20 0 CAADLO CNC(=O)C[N@H+](CCNC(=O)c1cnccn1)CCOC ZINC001442167196 891484106 /nfs/dbraw/zinc/48/41/06/891484106.db2.gz IEJCFYLGSOHPNG-UHFFFAOYSA-N 1 2 295.343 -1.099 20 0 CAADLO CNC(=O)C[N@@H+](CCNC(=O)c1cnccn1)CCOC ZINC001442167196 891484110 /nfs/dbraw/zinc/48/41/10/891484110.db2.gz IEJCFYLGSOHPNG-UHFFFAOYSA-N 1 2 295.343 -1.099 20 0 CAADLO COCC[N@H+](CCNC(=O)[C@@H]1CCCOC1)CC(N)=O ZINC001442170777 891484427 /nfs/dbraw/zinc/48/44/27/891484427.db2.gz HHHCCCMLLMAUOI-LLVKDONJSA-N 1 2 287.360 -1.037 20 0 CAADLO COCC[N@@H+](CCNC(=O)[C@@H]1CCCOC1)CC(N)=O ZINC001442170777 891484439 /nfs/dbraw/zinc/48/44/39/891484439.db2.gz HHHCCCMLLMAUOI-LLVKDONJSA-N 1 2 287.360 -1.037 20 0 CAADLO COCC[N@H+](CCNC(=O)c1cnn(C)n1)CC(N)=O ZINC001442194635 891484585 /nfs/dbraw/zinc/48/45/85/891484585.db2.gz GCCJPCGHQHMNRG-UHFFFAOYSA-N 1 2 284.320 -2.021 20 0 CAADLO COCC[N@@H+](CCNC(=O)c1cnn(C)n1)CC(N)=O ZINC001442194635 891484593 /nfs/dbraw/zinc/48/45/93/891484593.db2.gz GCCJPCGHQHMNRG-UHFFFAOYSA-N 1 2 284.320 -2.021 20 0 CAADLO COCC[N@H+](CCNC(=O)c1cncn1C)[C@@H](C)C(N)=O ZINC001442177855 891484737 /nfs/dbraw/zinc/48/47/37/891484737.db2.gz HPTLYGDOJSKPCY-JTQLQIEISA-N 1 2 297.359 -1.028 20 0 CAADLO COCC[N@@H+](CCNC(=O)c1cncn1C)[C@@H](C)C(N)=O ZINC001442177855 891484752 /nfs/dbraw/zinc/48/47/52/891484752.db2.gz HPTLYGDOJSKPCY-JTQLQIEISA-N 1 2 297.359 -1.028 20 0 CAADLO COCC[N@H+](CCNC(=O)c1c(C)ncn1C)CC(N)=O ZINC001442176411 891485053 /nfs/dbraw/zinc/48/50/53/891485053.db2.gz BXYJYQFEGYGKRR-UHFFFAOYSA-N 1 2 297.359 -1.108 20 0 CAADLO COCC[N@@H+](CCNC(=O)c1c(C)ncn1C)CC(N)=O ZINC001442176411 891485069 /nfs/dbraw/zinc/48/50/69/891485069.db2.gz BXYJYQFEGYGKRR-UHFFFAOYSA-N 1 2 297.359 -1.108 20 0 CAADLO CN(C)C(=O)C[N@H+](C)CCNC(=O)c1ccc(=O)[nH]n1 ZINC001442350561 891487792 /nfs/dbraw/zinc/48/77/92/891487792.db2.gz YLIBUFSAMJAXNQ-UHFFFAOYSA-N 1 2 281.316 -1.068 20 0 CAADLO CN(C)C(=O)C[N@@H+](C)CCNC(=O)c1ccc(=O)[nH]n1 ZINC001442350561 891487801 /nfs/dbraw/zinc/48/78/01/891487801.db2.gz YLIBUFSAMJAXNQ-UHFFFAOYSA-N 1 2 281.316 -1.068 20 0 CAADLO C[N@H+](CCNC(=O)[C@@H]1CCNC(=O)C1)CC(=O)NC1CC1 ZINC001442379242 891490953 /nfs/dbraw/zinc/49/09/53/891490953.db2.gz RMFYGFGLQDINFH-SNVBAGLBSA-N 1 2 296.371 -1.161 20 0 CAADLO C[N@@H+](CCNC(=O)[C@@H]1CCNC(=O)C1)CC(=O)NC1CC1 ZINC001442379242 891490957 /nfs/dbraw/zinc/49/09/57/891490957.db2.gz RMFYGFGLQDINFH-SNVBAGLBSA-N 1 2 296.371 -1.161 20 0 CAADLO C[N@H+](CCNC(=O)[C@H]1CCNC(=O)C1)CC(=O)NC1CC1 ZINC001442379238 891491050 /nfs/dbraw/zinc/49/10/50/891491050.db2.gz RMFYGFGLQDINFH-JTQLQIEISA-N 1 2 296.371 -1.161 20 0 CAADLO C[N@@H+](CCNC(=O)[C@H]1CCNC(=O)C1)CC(=O)NC1CC1 ZINC001442379238 891491059 /nfs/dbraw/zinc/49/10/59/891491059.db2.gz RMFYGFGLQDINFH-JTQLQIEISA-N 1 2 296.371 -1.161 20 0 CAADLO CN1C(=O)CC[C@@H]1C(=O)NCC[N@H+](C)CC(=O)NC1CC1 ZINC001442481464 891495513 /nfs/dbraw/zinc/49/55/13/891495513.db2.gz CKRDSFOCSNIQTL-LLVKDONJSA-N 1 2 296.371 -1.066 20 0 CAADLO CN1C(=O)CC[C@@H]1C(=O)NCC[N@@H+](C)CC(=O)NC1CC1 ZINC001442481464 891495517 /nfs/dbraw/zinc/49/55/17/891495517.db2.gz CKRDSFOCSNIQTL-LLVKDONJSA-N 1 2 296.371 -1.066 20 0 CAADLO COC[C@H](O)C[N@H+](C)CCNC(=O)[C@H](C)S(C)(=O)=O ZINC001442423751 891495647 /nfs/dbraw/zinc/49/56/47/891495647.db2.gz AMDIKYOEQULAQZ-VHSXEESVSA-N 1 2 296.389 -1.525 20 0 CAADLO COC[C@H](O)C[N@@H+](C)CCNC(=O)[C@H](C)S(C)(=O)=O ZINC001442423751 891495654 /nfs/dbraw/zinc/49/56/54/891495654.db2.gz AMDIKYOEQULAQZ-VHSXEESVSA-N 1 2 296.389 -1.525 20 0 CAADLO C[N@H+](CCNC(=O)[C@H]1CCC2N=NC(=O)N2C1)CC(N)=O ZINC001442438809 891495771 /nfs/dbraw/zinc/49/57/71/891495771.db2.gz QZIKNGNPJYOCGS-QMMMGPOBSA-N 1 2 296.331 -1.921 20 0 CAADLO C[N@@H+](CCNC(=O)[C@H]1CCC2N=NC(=O)N2C1)CC(N)=O ZINC001442438809 891495779 /nfs/dbraw/zinc/49/57/79/891495779.db2.gz QZIKNGNPJYOCGS-QMMMGPOBSA-N 1 2 296.331 -1.921 20 0 CAADLO C[N@H+](CCNC(=O)[C@@H]1CC[C@@H]1C(N)=O)CC(=O)N1CCC1 ZINC001442485973 891495870 /nfs/dbraw/zinc/49/58/70/891495870.db2.gz HXCGIXCPLIQURN-WDEREUQCSA-N 1 2 296.371 -1.222 20 0 CAADLO C[N@@H+](CCNC(=O)[C@@H]1CC[C@@H]1C(N)=O)CC(=O)N1CCC1 ZINC001442485973 891495881 /nfs/dbraw/zinc/49/58/81/891495881.db2.gz HXCGIXCPLIQURN-WDEREUQCSA-N 1 2 296.371 -1.222 20 0 CAADLO CNC(=O)C[N@H+](C)CCNC(=O)[C@@H](OC)c1cnn(C)c1 ZINC001442487196 891496212 /nfs/dbraw/zinc/49/62/12/891496212.db2.gz KXSJMHMURMYHDS-LBPRGKRZSA-N 1 2 297.359 -1.098 20 0 CAADLO CNC(=O)C[N@@H+](C)CCNC(=O)[C@@H](OC)c1cnn(C)c1 ZINC001442487196 891496217 /nfs/dbraw/zinc/49/62/17/891496217.db2.gz KXSJMHMURMYHDS-LBPRGKRZSA-N 1 2 297.359 -1.098 20 0 CAADLO CNC(=O)C[N@H+](C)CCNC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001442524028 891498481 /nfs/dbraw/zinc/49/84/81/891498481.db2.gz XGAPGXRFWYWRFL-DTWKUNHWSA-N 1 2 286.332 -2.187 20 0 CAADLO CNC(=O)C[N@@H+](C)CCNC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001442524028 891498485 /nfs/dbraw/zinc/49/84/85/891498485.db2.gz XGAPGXRFWYWRFL-DTWKUNHWSA-N 1 2 286.332 -2.187 20 0 CAADLO C[N@H+](CCNC(=O)CCNC(N)=O)CC(=O)N1CCCC1 ZINC001442588144 891498702 /nfs/dbraw/zinc/49/87/02/891498702.db2.gz DDLWFNOZIUXVGO-UHFFFAOYSA-N 1 2 299.375 -1.285 20 0 CAADLO C[N@@H+](CCNC(=O)CCNC(N)=O)CC(=O)N1CCCC1 ZINC001442588144 891498707 /nfs/dbraw/zinc/49/87/07/891498707.db2.gz DDLWFNOZIUXVGO-UHFFFAOYSA-N 1 2 299.375 -1.285 20 0 CAADLO CNC(=O)C[N@H+](C)CCNC(=O)[C@H](NC(C)=O)C(C)C ZINC001442574718 891499430 /nfs/dbraw/zinc/49/94/30/891499430.db2.gz GAVGUUUPJXWZNH-GFCCVEGCSA-N 1 2 286.376 -1.059 20 0 CAADLO CNC(=O)C[N@@H+](C)CCNC(=O)[C@H](NC(C)=O)C(C)C ZINC001442574718 891499435 /nfs/dbraw/zinc/49/94/35/891499435.db2.gz GAVGUUUPJXWZNH-GFCCVEGCSA-N 1 2 286.376 -1.059 20 0 CAADLO C[N@H+](CCNC(=O)[C@H]1CCC[C@H](C(N)=O)C1)CC(N)=O ZINC001442538580 891499834 /nfs/dbraw/zinc/49/98/34/891499834.db2.gz QMRITXSUVKLTFA-UWVGGRQHSA-N 1 2 284.360 -1.189 20 0 CAADLO C[N@@H+](CCNC(=O)[C@H]1CCC[C@H](C(N)=O)C1)CC(N)=O ZINC001442538580 891499844 /nfs/dbraw/zinc/49/98/44/891499844.db2.gz QMRITXSUVKLTFA-UWVGGRQHSA-N 1 2 284.360 -1.189 20 0 CAADLO CC(=O)N1CCC(C(=O)NCC[N@@H+](C)CC(N)=O)CC1 ZINC001442589495 891500412 /nfs/dbraw/zinc/50/04/12/891500412.db2.gz FQGNONORRQGQQQ-UHFFFAOYSA-N 1 2 284.360 -1.222 20 0 CAADLO CC(=O)N1CCC(C(=O)NCC[N@H+](C)CC(N)=O)CC1 ZINC001442589495 891500418 /nfs/dbraw/zinc/50/04/18/891500418.db2.gz FQGNONORRQGQQQ-UHFFFAOYSA-N 1 2 284.360 -1.222 20 0 CAADLO CC(=O)N1CC[C@@](C)(C(=O)NCC[N@@H+](C)CC(N)=O)C1 ZINC001442580003 891500464 /nfs/dbraw/zinc/50/04/64/891500464.db2.gz TUFTXOWWRSNFIQ-CYBMUJFWSA-N 1 2 284.360 -1.222 20 0 CAADLO CC(=O)N1CC[C@@](C)(C(=O)NCC[N@H+](C)CC(N)=O)C1 ZINC001442580003 891500476 /nfs/dbraw/zinc/50/04/76/891500476.db2.gz TUFTXOWWRSNFIQ-CYBMUJFWSA-N 1 2 284.360 -1.222 20 0 CAADLO CNC(=O)NC(=O)[C@H](C)[N@H+](C)CCNC(=O)c1nnc[nH]1 ZINC001442549480 891501143 /nfs/dbraw/zinc/50/11/43/891501143.db2.gz LMVUREJVYIHLJF-ZETCQYMHSA-N 1 2 297.319 -1.690 20 0 CAADLO CNC(=O)NC(=O)[C@H](C)[N@@H+](C)CCNC(=O)c1nnc[nH]1 ZINC001442549480 891501152 /nfs/dbraw/zinc/50/11/52/891501152.db2.gz LMVUREJVYIHLJF-ZETCQYMHSA-N 1 2 297.319 -1.690 20 0 CAADLO CC(C)NC(=O)C[N@H+](C)CCNC(=O)[C@@H]1CCC(=O)N1 ZINC001442583343 891501290 /nfs/dbraw/zinc/50/12/90/891501290.db2.gz ZOSMFNVMRBFTFW-JTQLQIEISA-N 1 2 284.360 -1.162 20 0 CAADLO CC(C)NC(=O)C[N@@H+](C)CCNC(=O)[C@@H]1CCC(=O)N1 ZINC001442583343 891501293 /nfs/dbraw/zinc/50/12/93/891501293.db2.gz ZOSMFNVMRBFTFW-JTQLQIEISA-N 1 2 284.360 -1.162 20 0 CAADLO C[N@H+](CCNC(=O)CN1CCCCCC1=O)CC(N)=O ZINC001442589357 891501516 /nfs/dbraw/zinc/50/15/16/891501516.db2.gz DXTLKCIDFSFALE-UHFFFAOYSA-N 1 2 284.360 -1.078 20 0 CAADLO C[N@@H+](CCNC(=O)CN1CCCCCC1=O)CC(N)=O ZINC001442589357 891501519 /nfs/dbraw/zinc/50/15/19/891501519.db2.gz DXTLKCIDFSFALE-UHFFFAOYSA-N 1 2 284.360 -1.078 20 0 CAADLO Cn1cnnc1COCC(=O)NCC[N@H+](C)CC(N)=O ZINC001442563101 891501637 /nfs/dbraw/zinc/50/16/37/891501637.db2.gz UDDNBTNRZXHBHS-UHFFFAOYSA-N 1 2 284.320 -2.135 20 0 CAADLO Cn1cnnc1COCC(=O)NCC[N@@H+](C)CC(N)=O ZINC001442563101 891501646 /nfs/dbraw/zinc/50/16/46/891501646.db2.gz UDDNBTNRZXHBHS-UHFFFAOYSA-N 1 2 284.320 -2.135 20 0 CAADLO CNC(=O)C[N@H+](C)CCNC(=O)[C@H]1CCCC(=O)N1C ZINC001442586662 891501722 /nfs/dbraw/zinc/50/17/22/891501722.db2.gz FVPQFSWZMAJYQD-SNVBAGLBSA-N 1 2 284.360 -1.209 20 0 CAADLO CNC(=O)C[N@@H+](C)CCNC(=O)[C@H]1CCCC(=O)N1C ZINC001442586662 891501733 /nfs/dbraw/zinc/50/17/33/891501733.db2.gz FVPQFSWZMAJYQD-SNVBAGLBSA-N 1 2 284.360 -1.209 20 0 CAADLO C[N@H+](CCNC(=O)c1cc(C(N)=O)cs1)CC(N)=O ZINC001442614428 891503669 /nfs/dbraw/zinc/50/36/69/891503669.db2.gz DRIMGWFFSDDKAA-UHFFFAOYSA-N 1 2 284.341 -1.006 20 0 CAADLO C[N@@H+](CCNC(=O)c1cc(C(N)=O)cs1)CC(N)=O ZINC001442614428 891503683 /nfs/dbraw/zinc/50/36/83/891503683.db2.gz DRIMGWFFSDDKAA-UHFFFAOYSA-N 1 2 284.341 -1.006 20 0 CAADLO C[C@@H](O)C[N@@H+]1CCC[C@H]1CNC(=O)CS(C)(=O)=O ZINC001442777271 891508349 /nfs/dbraw/zinc/50/83/49/891508349.db2.gz HXYRNESDNLGWRH-ZJUUUORDSA-N 1 2 278.374 -1.008 20 0 CAADLO C[C@@H](O)C[N@H+]1CCC[C@H]1CNC(=O)CS(C)(=O)=O ZINC001442777271 891508361 /nfs/dbraw/zinc/50/83/61/891508361.db2.gz HXYRNESDNLGWRH-ZJUUUORDSA-N 1 2 278.374 -1.008 20 0 CAADLO C[C@@H](O)C[N@@H+]1CCC[C@@H]1CNC(=O)CS(C)(=O)=O ZINC001442776130 891508618 /nfs/dbraw/zinc/50/86/18/891508618.db2.gz HXYRNESDNLGWRH-NXEZZACHSA-N 1 2 278.374 -1.008 20 0 CAADLO C[C@@H](O)C[N@H+]1CCC[C@@H]1CNC(=O)CS(C)(=O)=O ZINC001442776130 891508627 /nfs/dbraw/zinc/50/86/27/891508627.db2.gz HXYRNESDNLGWRH-NXEZZACHSA-N 1 2 278.374 -1.008 20 0 CAADLO COC[C@@H](OC)C(=O)NC[C@H]1CCC[N@@H+]1CC(N)=O ZINC001442809005 891508763 /nfs/dbraw/zinc/50/87/63/891508763.db2.gz BRZJZKZLRVPQMC-NXEZZACHSA-N 1 2 273.333 -1.286 20 0 CAADLO COC[C@@H](OC)C(=O)NC[C@H]1CCC[N@H+]1CC(N)=O ZINC001442809005 891508769 /nfs/dbraw/zinc/50/87/69/891508769.db2.gz BRZJZKZLRVPQMC-NXEZZACHSA-N 1 2 273.333 -1.286 20 0 CAADLO C[C@@H](C(N)=O)[N@H+](CCNC(=O)Cc1nnc[nH]1)C1CC1 ZINC001443046834 891516475 /nfs/dbraw/zinc/51/64/75/891516475.db2.gz XATGZZQLOOCIDW-QMMMGPOBSA-N 1 2 280.332 -1.198 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+](CCNC(=O)Cc1nnc[nH]1)C1CC1 ZINC001443046834 891516477 /nfs/dbraw/zinc/51/64/77/891516477.db2.gz XATGZZQLOOCIDW-QMMMGPOBSA-N 1 2 280.332 -1.198 20 0 CAADLO Cc1nn[nH]c1C(=O)N(C)CCN1CC[NH+](CCO)CC1 ZINC001443281410 891518538 /nfs/dbraw/zinc/51/85/38/891518538.db2.gz AWUJEVBUKZHLBN-UHFFFAOYSA-N 1 2 296.375 -1.205 20 0 CAADLO COC[C@H](O)C[NH+]1CC(NC(=O)Cc2nnc(C)o2)C1 ZINC001443477436 891524814 /nfs/dbraw/zinc/52/48/14/891524814.db2.gz CDSAMQOCYFPXSG-SNVBAGLBSA-N 1 2 284.316 -1.272 20 0 CAADLO CCn1cc(C(=O)NC2C[NH+](C[C@@H](O)COC)C2)nn1 ZINC001443526311 891527642 /nfs/dbraw/zinc/52/76/42/891527642.db2.gz SSFPERJJPFZWCD-SNVBAGLBSA-N 1 2 283.332 -1.281 20 0 CAADLO CC(C)[C@H](NS(C)(=O)=O)C(=O)NC1C[NH+](CCO)C1 ZINC001443519622 891527909 /nfs/dbraw/zinc/52/79/09/891527909.db2.gz DEPYLGGXCSGOTK-JTQLQIEISA-N 1 2 293.389 -1.647 20 0 CAADLO CC[NH+]1CC(NC(=O)[C@H](C)NC(=O)Cn2cnnn2)C1 ZINC001443523310 891527950 /nfs/dbraw/zinc/52/79/50/891527950.db2.gz FQCGZUBCFZGRHV-QMMMGPOBSA-N 1 2 281.320 -2.002 20 0 CAADLO CN(C)S(=O)(=O)CCC(=O)NC1C[NH+](CCO)C1 ZINC001443556792 891530397 /nfs/dbraw/zinc/53/03/97/891530397.db2.gz NTEGWZVBEKFVIP-UHFFFAOYSA-N 1 2 279.362 -1.939 20 0 CAADLO CCC(=O)N[C@@H](C)C(=O)NCC1C[NH+](CC(=O)NC)C1 ZINC001443575074 891530525 /nfs/dbraw/zinc/53/05/25/891530525.db2.gz AVMSEMPYKYVLSK-VIFPVBQESA-N 1 2 284.360 -1.305 20 0 CAADLO C[C@@H](CC(=O)NCC1C[NH+](CC(N)=O)C1)NC(N)=O ZINC001443584230 891531729 /nfs/dbraw/zinc/53/17/29/891531729.db2.gz UONQOTBHAZPMSO-ZETCQYMHSA-N 1 2 271.321 -2.033 20 0 CAADLO C[C@H](CC(=O)NCC1C[NH+](CC(N)=O)C1)NC(N)=O ZINC001443584185 891531149 /nfs/dbraw/zinc/53/11/49/891531149.db2.gz UONQOTBHAZPMSO-SSDOTTSWSA-N 1 2 271.321 -2.033 20 0 CAADLO Cn1nccc1C(=O)NCC1C[NH+](CC(=O)NC(N)=O)C1 ZINC001443586470 891531610 /nfs/dbraw/zinc/53/16/10/891531610.db2.gz LIHOIUQYEIZIDI-UHFFFAOYSA-N 1 2 294.315 -1.723 20 0 CAADLO C[C@H](C(=O)NC(N)=O)[NH+]1CC(CNC(=O)c2ccn[nH]2)C1 ZINC001443560997 891532312 /nfs/dbraw/zinc/53/23/12/891532312.db2.gz CNCZZKBXPSKIKO-SSDOTTSWSA-N 1 2 294.315 -1.345 20 0 CAADLO CCNC(=O)C[NH+]1CC(CNC(=O)CCNC(=O)NC)C1 ZINC001443579663 891532355 /nfs/dbraw/zinc/53/23/55/891532355.db2.gz MLPBWLXMEUTGSS-UHFFFAOYSA-N 1 2 299.375 -1.510 20 0 CAADLO C[C@@H]1OC(=O)N[C@H]1C(=O)N1CCC[N@H+](CC(N)=O)CC1 ZINC001443566277 891532403 /nfs/dbraw/zinc/53/24/03/891532403.db2.gz FZCVHTWQUMUMJC-WCBMZHEXSA-N 1 2 284.316 -1.497 20 0 CAADLO C[C@@H]1OC(=O)N[C@H]1C(=O)N1CCC[N@@H+](CC(N)=O)CC1 ZINC001443566277 891532411 /nfs/dbraw/zinc/53/24/11/891532411.db2.gz FZCVHTWQUMUMJC-WCBMZHEXSA-N 1 2 284.316 -1.497 20 0 CAADLO COCC(=O)NCC1C[NH+](CC(=O)NC[C@H]2CCCO2)C1 ZINC001443554543 891532464 /nfs/dbraw/zinc/53/24/64/891532464.db2.gz JNGNESCLHJZTCG-GFCCVEGCSA-N 1 2 299.371 -1.024 20 0 CAADLO CO[C@H](C(=O)NCC1C[NH+](CC(N)=O)C1)[C@@H]1CCOC1 ZINC001443613165 891534068 /nfs/dbraw/zinc/53/40/68/891534068.db2.gz AAGBWVPSJNZQBO-PWSUYJOCSA-N 1 2 285.344 -1.429 20 0 CAADLO CCNC(=O)C[NH+]1CC(CNC(=O)[C@H]2CCC(=O)NC2)C1 ZINC001443603895 891534299 /nfs/dbraw/zinc/53/42/99/891534299.db2.gz OGCUBYKZNAIZQX-NSHDSACASA-N 1 2 296.371 -1.303 20 0 CAADLO Cn1ncc(CCC(=O)NCC2C[NH+](CC(N)=O)C2)n1 ZINC001443616582 891534427 /nfs/dbraw/zinc/53/44/27/891534427.db2.gz TVBNIUMYEBHXNI-UHFFFAOYSA-N 1 2 280.332 -1.719 20 0 CAADLO CC(=O)N[C@@H](C(=O)NCC1C[NH+](CC(N)=O)C1)C(C)C ZINC001443637161 891534510 /nfs/dbraw/zinc/53/45/10/891534510.db2.gz WACSMXZPRBBUTG-GFCCVEGCSA-N 1 2 284.360 -1.320 20 0 CAADLO CNC(=O)C[NH+]1CC(CNC(=O)CCc2cn(C)nn2)C1 ZINC001443665267 891534609 /nfs/dbraw/zinc/53/46/09/891534609.db2.gz IYEUFAKNSUCCMA-UHFFFAOYSA-N 1 2 294.359 -1.458 20 0 CAADLO C[C@H](NC(=O)C1(O)COC1)[C@H](C)[NH+]1CCOCC1 ZINC001443683504 891534654 /nfs/dbraw/zinc/53/46/54/891534654.db2.gz ZOLRDNIYKAQRGU-UWVGGRQHSA-N 1 2 258.318 -1.027 20 0 CAADLO C[C@@H](NC(=O)C1(O)COC1)[C@@H](C)[NH+]1CCOCC1 ZINC001443683501 891534718 /nfs/dbraw/zinc/53/47/18/891534718.db2.gz ZOLRDNIYKAQRGU-NXEZZACHSA-N 1 2 258.318 -1.027 20 0 CAADLO CCNC(=O)C[NH+]1CC(CNC(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC001443604072 891534777 /nfs/dbraw/zinc/53/47/77/891534777.db2.gz VQNYWARNGUZSCY-SNVBAGLBSA-N 1 2 297.359 -1.806 20 0 CAADLO CNC(=O)C[NH+]1CC(CNC(=O)C[C@@H]2CCC(=O)N2)C1 ZINC001443620499 891535049 /nfs/dbraw/zinc/53/50/49/891535049.db2.gz ZOXUFTSXENSXBT-JTQLQIEISA-N 1 2 282.344 -1.551 20 0 CAADLO CCNC(=O)C[NH+]1CC(CNC(=O)c2cn[nH]c(=O)c2)C1 ZINC001443592815 891535371 /nfs/dbraw/zinc/53/53/71/891535371.db2.gz WUWREYBSFMOVLQ-UHFFFAOYSA-N 1 2 293.327 -1.020 20 0 CAADLO CNC(=O)C[NH+]1CC(CNC(=O)CCCC(N)=O)C1 ZINC001443672229 891535455 /nfs/dbraw/zinc/53/54/55/891535455.db2.gz YJPAJAKOJYWFJW-UHFFFAOYSA-N 1 2 270.333 -1.564 20 0 CAADLO C[C@@H](CC(N)=O)C(=O)NCC1C[NH+](CC(=O)N2CCC2)C1 ZINC001443600083 891535695 /nfs/dbraw/zinc/53/56/95/891535695.db2.gz LYWLBZDRVUWJIV-JTQLQIEISA-N 1 2 296.371 -1.222 20 0 CAADLO C[C@@H](C(N)=O)[NH+]1CC(CNC(=O)CCc2cnn(C)n2)C1 ZINC001443618969 891535887 /nfs/dbraw/zinc/53/58/87/891535887.db2.gz YTMCEIUAXRGSCL-VIFPVBQESA-N 1 2 294.359 -1.331 20 0 CAADLO CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001443765943 891537288 /nfs/dbraw/zinc/53/72/88/891537288.db2.gz LKIWSSAPQKXCIP-RKDXNWHRSA-N 1 2 283.332 -2.006 20 0 CAADLO CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001443765943 891537295 /nfs/dbraw/zinc/53/72/95/891537295.db2.gz LKIWSSAPQKXCIP-RKDXNWHRSA-N 1 2 283.332 -2.006 20 0 CAADLO CCC(=O)NCC(=O)N(C)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001443804241 891538202 /nfs/dbraw/zinc/53/82/02/891538202.db2.gz ZWZFWBAVIGNXDQ-VIFPVBQESA-N 1 2 270.333 -1.469 20 0 CAADLO CCC(=O)NCC(=O)N(C)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001443804241 891538217 /nfs/dbraw/zinc/53/82/17/891538217.db2.gz ZWZFWBAVIGNXDQ-VIFPVBQESA-N 1 2 270.333 -1.469 20 0 CAADLO CN(C(=O)[C@H]1CCOC1)[C@@H]1CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001443819081 891538430 /nfs/dbraw/zinc/53/84/30/891538430.db2.gz RNRFRTMJONKKQC-VHSXEESVSA-N 1 2 298.343 -1.250 20 0 CAADLO CN(C(=O)[C@H]1CCOC1)[C@@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001443819081 891538441 /nfs/dbraw/zinc/53/84/41/891538441.db2.gz RNRFRTMJONKKQC-VHSXEESVSA-N 1 2 298.343 -1.250 20 0 CAADLO CO[C@H](C)C(=O)N[C@H]1CC[N@@H+]([C@H](C)C(=O)NC(N)=O)C1 ZINC001443697369 891538573 /nfs/dbraw/zinc/53/85/73/891538573.db2.gz ZOMOBYSMAQHTTR-HLTSFMKQSA-N 1 2 286.332 -1.205 20 0 CAADLO CO[C@H](C)C(=O)N[C@H]1CC[N@H+]([C@H](C)C(=O)NC(N)=O)C1 ZINC001443697369 891538583 /nfs/dbraw/zinc/53/85/83/891538583.db2.gz ZOMOBYSMAQHTTR-HLTSFMKQSA-N 1 2 286.332 -1.205 20 0 CAADLO CO[C@@H](C)C(=O)N(C)[C@H]1CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001443800450 891538636 /nfs/dbraw/zinc/53/86/36/891538636.db2.gz DNVFVHUGMQEROC-IUCAKERBSA-N 1 2 286.332 -1.251 20 0 CAADLO CO[C@@H](C)C(=O)N(C)[C@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001443800450 891538644 /nfs/dbraw/zinc/53/86/44/891538644.db2.gz DNVFVHUGMQEROC-IUCAKERBSA-N 1 2 286.332 -1.251 20 0 CAADLO C[C@H](NC(N)=O)C(=O)N(C)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001443816530 891538741 /nfs/dbraw/zinc/53/87/41/891538741.db2.gz WUUXODQACIOOTN-JGVFFNPUSA-N 1 2 271.321 -1.939 20 0 CAADLO CC[C@@H](OC)C(=O)N[C@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001443705078 891538932 /nfs/dbraw/zinc/53/89/32/891538932.db2.gz VXTQPMXPQKKMJS-DTWKUNHWSA-N 1 2 286.332 -1.203 20 0 CAADLO C[C@H](NC(N)=O)C(=O)N(C)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001443816530 891538749 /nfs/dbraw/zinc/53/87/49/891538749.db2.gz WUUXODQACIOOTN-JGVFFNPUSA-N 1 2 271.321 -1.939 20 0 CAADLO COC[C@@H](OC)C(=O)N(C)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001443822913 891538900 /nfs/dbraw/zinc/53/89/00/891538900.db2.gz SALCDQJPKAVRTL-VHSXEESVSA-N 1 2 273.333 -1.334 20 0 CAADLO COC[C@@H](OC)C(=O)N(C)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001443822913 891538910 /nfs/dbraw/zinc/53/89/10/891538910.db2.gz SALCDQJPKAVRTL-VHSXEESVSA-N 1 2 273.333 -1.334 20 0 CAADLO CC[C@@H](OC)C(=O)N[C@H]1CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001443705078 891538925 /nfs/dbraw/zinc/53/89/25/891538925.db2.gz VXTQPMXPQKKMJS-DTWKUNHWSA-N 1 2 286.332 -1.203 20 0 CAADLO CCC(=O)NCC(=O)N(C)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001443804236 891539017 /nfs/dbraw/zinc/53/90/17/891539017.db2.gz ZWZFWBAVIGNXDQ-SECBINFHSA-N 1 2 270.333 -1.469 20 0 CAADLO CCC(=O)NCC(=O)N(C)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001443804236 891539026 /nfs/dbraw/zinc/53/90/26/891539026.db2.gz ZWZFWBAVIGNXDQ-SECBINFHSA-N 1 2 270.333 -1.469 20 0 CAADLO CO[C@@H](C)C(=O)N[C@H]1CC[N@@H+]([C@@H](C)C(=O)NC(N)=O)C1 ZINC001443697366 891539973 /nfs/dbraw/zinc/53/99/73/891539973.db2.gz ZOMOBYSMAQHTTR-CIUDSAMLSA-N 1 2 286.332 -1.205 20 0 CAADLO CO[C@@H](C)C(=O)N[C@H]1CC[N@H+]([C@@H](C)C(=O)NC(N)=O)C1 ZINC001443697366 891539985 /nfs/dbraw/zinc/53/99/85/891539985.db2.gz ZOMOBYSMAQHTTR-CIUDSAMLSA-N 1 2 286.332 -1.205 20 0 CAADLO CC(=O)NCC(=O)N(C)[C@@H]1CC[N@H+](Cc2cnnn2C)C1 ZINC001443797355 891540354 /nfs/dbraw/zinc/54/03/54/891540354.db2.gz FZCGYDYWFZYHIT-LLVKDONJSA-N 1 2 294.359 -1.016 20 0 CAADLO CC(=O)NCC(=O)N(C)[C@@H]1CC[N@@H+](Cc2cnnn2C)C1 ZINC001443797355 891540359 /nfs/dbraw/zinc/54/03/59/891540359.db2.gz FZCGYDYWFZYHIT-LLVKDONJSA-N 1 2 294.359 -1.016 20 0 CAADLO CC(=O)NCC(=O)NC[C@@H](CO)NC(=O)Cc1[nH]cc[nH+]1 ZINC001444068961 891552063 /nfs/dbraw/zinc/55/20/63/891552063.db2.gz HZYSYYLQIJPQLS-VIFPVBQESA-N 1 2 297.315 -2.318 20 0 CAADLO COC[C@@H](C)C(=O)NC[C@@H](CO)NC(=O)Cc1c[nH]c[nH+]1 ZINC001444102267 891555106 /nfs/dbraw/zinc/55/51/06/891555106.db2.gz GXUKWIYLAMGMGC-KOLCDFICSA-N 1 2 298.343 -1.172 20 0 CAADLO COCC(=O)N[C@H](CO)CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001444189004 891560384 /nfs/dbraw/zinc/56/03/84/891560384.db2.gz QSUDJKCPJQDGNV-ONGXEEELSA-N 1 2 298.343 -1.172 20 0 CAADLO COCC(=O)N[C@H](CO)CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001444189004 891560400 /nfs/dbraw/zinc/56/04/00/891560400.db2.gz QSUDJKCPJQDGNV-ONGXEEELSA-N 1 2 298.343 -1.172 20 0 CAADLO COCC(=O)N[C@@H](CO)CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001444188996 891561188 /nfs/dbraw/zinc/56/11/88/891561188.db2.gz QSUDJKCPJQDGNV-GXSJLCMTSA-N 1 2 298.343 -1.172 20 0 CAADLO COCC(=O)N[C@@H](CO)CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001444188996 891561196 /nfs/dbraw/zinc/56/11/96/891561196.db2.gz QSUDJKCPJQDGNV-GXSJLCMTSA-N 1 2 298.343 -1.172 20 0 CAADLO O=C(Cn1cc[nH+]c1)NC[C@@H](CO)NC(=O)c1cocn1 ZINC001444221266 891561373 /nfs/dbraw/zinc/56/13/73/891561373.db2.gz MUZSOLSYHOQOOX-VIFPVBQESA-N 1 2 293.283 -1.222 20 0 CAADLO O=C(Cn1cc[nH+]c1)NC[C@@H](CO)NC(=O)[C@H]1CCCO1 ZINC001444225617 891563717 /nfs/dbraw/zinc/56/37/17/891563717.db2.gz WRZCIMMTDDBARH-WDEREUQCSA-N 1 2 296.327 -1.345 20 0 CAADLO O=C(Cn1cc[nH+]c1)NC[C@@H](CO)NC(=O)c1cnon1 ZINC001444222660 891563737 /nfs/dbraw/zinc/56/37/37/891563737.db2.gz QUDUSMPJZQFSEW-QMMMGPOBSA-N 1 2 294.271 -1.827 20 0 CAADLO O=C(Cn1cc[nH+]c1)NC[C@H](CO)NC(=O)[C@@H]1CCCO1 ZINC001444225611 891564277 /nfs/dbraw/zinc/56/42/77/891564277.db2.gz WRZCIMMTDDBARH-MNOVXSKESA-N 1 2 296.327 -1.345 20 0 CAADLO O=C(Cc1c[nH]c[nH+]1)N[C@@H](CO)CNC(=O)c1cnco1 ZINC001444275711 891568235 /nfs/dbraw/zinc/56/82/35/891568235.db2.gz VJXULTVFZUPNKH-SECBINFHSA-N 1 2 293.283 -1.153 20 0 CAADLO CCOCC(=O)N[C@@H](CO)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001444361522 891573590 /nfs/dbraw/zinc/57/35/90/891573590.db2.gz KVRRUIKFEGLTJQ-SNVBAGLBSA-N 1 2 284.316 -1.418 20 0 CAADLO O=C(CO[C@@H]1CCOC1)NC[C@H]1C[N@H+](CCO)CCO1 ZINC001444453989 891576516 /nfs/dbraw/zinc/57/65/16/891576516.db2.gz IUSACFWZFKNNHW-NEPJUHHUSA-N 1 2 288.344 -1.399 20 0 CAADLO O=C(CO[C@@H]1CCOC1)NC[C@H]1C[N@@H+](CCO)CCO1 ZINC001444453989 891576528 /nfs/dbraw/zinc/57/65/28/891576528.db2.gz IUSACFWZFKNNHW-NEPJUHHUSA-N 1 2 288.344 -1.399 20 0 CAADLO O=C(Cc1nc[nH]n1)NC[C@@H]1C[N@H+](CCCO)CCO1 ZINC001444492904 891576591 /nfs/dbraw/zinc/57/65/91/891576591.db2.gz YOCAENCALUJFLS-SNVBAGLBSA-N 1 2 283.332 -1.453 20 0 CAADLO O=C(Cc1nc[nH]n1)NC[C@@H]1C[N@@H+](CCCO)CCO1 ZINC001444492904 891576604 /nfs/dbraw/zinc/57/66/04/891576604.db2.gz YOCAENCALUJFLS-SNVBAGLBSA-N 1 2 283.332 -1.453 20 0 CAADLO CC(=O)N[C@H](C)C(=O)N1CCC2(C[NH+](CC(N)=O)C2)CC1 ZINC001444544523 891578249 /nfs/dbraw/zinc/57/82/49/891578249.db2.gz KLGMUCAFYXLPOT-SNVBAGLBSA-N 1 2 296.371 -1.079 20 0 CAADLO CNC(=O)NCC(=O)NC[C@@H]1C[N@H+](CCO)CCO1 ZINC001444451990 891578572 /nfs/dbraw/zinc/57/85/72/891578572.db2.gz RGMWXPJEXGCJCV-SECBINFHSA-N 1 2 274.321 -2.275 20 0 CAADLO CNC(=O)NCC(=O)NC[C@@H]1C[N@@H+](CCO)CCO1 ZINC001444451990 891578578 /nfs/dbraw/zinc/57/85/78/891578578.db2.gz RGMWXPJEXGCJCV-SECBINFHSA-N 1 2 274.321 -2.275 20 0 CAADLO O=C(CO[C@H]1CCOC1)NC[C@@H]1C[N@H+](CCO)CCO1 ZINC001444454000 891578912 /nfs/dbraw/zinc/57/89/12/891578912.db2.gz IUSACFWZFKNNHW-NWDGAFQWSA-N 1 2 288.344 -1.399 20 0 CAADLO O=C(CO[C@H]1CCOC1)NC[C@@H]1C[N@@H+](CCO)CCO1 ZINC001444454000 891578921 /nfs/dbraw/zinc/57/89/21/891578921.db2.gz IUSACFWZFKNNHW-NWDGAFQWSA-N 1 2 288.344 -1.399 20 0 CAADLO CC(C)[C@@H](CNC(=O)c1nnc[nH]1)[NH2+]Cc1nnnn1C ZINC001444920485 891591567 /nfs/dbraw/zinc/59/15/67/891591567.db2.gz KBOLFHSZGNVEKX-MRVPVSSYSA-N 1 2 293.335 -1.128 20 0 CAADLO CC(C)[C@@H](CNC(=O)c1ncn[nH]1)[NH2+]Cc1nnnn1C ZINC001444920485 891591574 /nfs/dbraw/zinc/59/15/74/891591574.db2.gz KBOLFHSZGNVEKX-MRVPVSSYSA-N 1 2 293.335 -1.128 20 0 CAADLO CC(C)[C@@H](CNC(=O)c1nc[nH]n1)[NH2+]Cc1nnnn1C ZINC001444920485 891591585 /nfs/dbraw/zinc/59/15/85/891591585.db2.gz KBOLFHSZGNVEKX-MRVPVSSYSA-N 1 2 293.335 -1.128 20 0 CAADLO CN(CC[N@H+](C)CC(N)=O)C(=O)c1ccc(C(N)=O)[nH]1 ZINC001445026061 891592433 /nfs/dbraw/zinc/59/24/33/891592433.db2.gz DYKCMLXHYCDIIV-UHFFFAOYSA-N 1 2 281.316 -1.397 20 0 CAADLO CN(CC[N@@H+](C)CC(N)=O)C(=O)c1ccc(C(N)=O)[nH]1 ZINC001445026061 891592441 /nfs/dbraw/zinc/59/24/41/891592441.db2.gz DYKCMLXHYCDIIV-UHFFFAOYSA-N 1 2 281.316 -1.397 20 0 CAADLO CNC(=O)C[N@H+](C)CCN(C)C(=O)[C@@H]1CNC(=O)N1 ZINC001445034476 891593310 /nfs/dbraw/zinc/59/33/10/891593310.db2.gz KUHXFNUUFJLGFI-QMMMGPOBSA-N 1 2 271.321 -2.196 20 0 CAADLO CNC(=O)C[N@@H+](C)CCN(C)C(=O)[C@@H]1CNC(=O)N1 ZINC001445034476 891593318 /nfs/dbraw/zinc/59/33/18/891593318.db2.gz KUHXFNUUFJLGFI-QMMMGPOBSA-N 1 2 271.321 -2.196 20 0 CAADLO CC(C)NC(=O)C[N@H+](C)CCN(C)C(=O)[C@@H]1CNC(=O)N1 ZINC001445036271 891595027 /nfs/dbraw/zinc/59/50/27/891595027.db2.gz NNVAUJRROLLSED-JTQLQIEISA-N 1 2 299.375 -1.417 20 0 CAADLO CC(C)NC(=O)C[N@@H+](C)CCN(C)C(=O)[C@@H]1CNC(=O)N1 ZINC001445036271 891595032 /nfs/dbraw/zinc/59/50/32/891595032.db2.gz NNVAUJRROLLSED-JTQLQIEISA-N 1 2 299.375 -1.417 20 0 CAADLO CN(CC[N@H+](C)CC(N)=O)C(=O)c1ccc2nnnn2c1 ZINC001445015647 891595166 /nfs/dbraw/zinc/59/51/66/891595166.db2.gz YXMZGYPBODPZOS-UHFFFAOYSA-N 1 2 291.315 -1.387 20 0 CAADLO CN(CC[N@@H+](C)CC(N)=O)C(=O)c1ccc2nnnn2c1 ZINC001445015647 891595177 /nfs/dbraw/zinc/59/51/77/891595177.db2.gz YXMZGYPBODPZOS-UHFFFAOYSA-N 1 2 291.315 -1.387 20 0 CAADLO CCN1C[C@@H](C(=O)N(C)CC[N@H+](C)CC(=O)NC)CC1=O ZINC001444983023 891596079 /nfs/dbraw/zinc/59/60/79/891596079.db2.gz AXAWGHPSSSRSCB-NSHDSACASA-N 1 2 298.387 -1.009 20 0 CAADLO CCN1C[C@@H](C(=O)N(C)CC[N@@H+](C)CC(=O)NC)CC1=O ZINC001444983023 891596096 /nfs/dbraw/zinc/59/60/96/891596096.db2.gz AXAWGHPSSSRSCB-NSHDSACASA-N 1 2 298.387 -1.009 20 0 CAADLO CN(CC[N@@H+](C)CC(N)=O)C(=O)[C@H]1CCS(=O)(=O)N1 ZINC001445096074 891599751 /nfs/dbraw/zinc/59/97/51/891599751.db2.gz ZCWPGBLNSRMNEB-MRVPVSSYSA-N 1 2 292.361 -2.446 20 0 CAADLO CN(CC[N@H+](C)CC(N)=O)C(=O)[C@H]1CCS(=O)(=O)N1 ZINC001445096074 891599743 /nfs/dbraw/zinc/59/97/43/891599743.db2.gz ZCWPGBLNSRMNEB-MRVPVSSYSA-N 1 2 292.361 -2.446 20 0 CAADLO CC(=O)N(C)CC(=O)NC[C@@H](O)C[NH2+]Cc1nc(C)no1 ZINC001445135707 891604066 /nfs/dbraw/zinc/60/40/66/891604066.db2.gz LESNAXDJQUVOEV-JTQLQIEISA-N 1 2 299.331 -1.577 20 0 CAADLO Cc1nnc(C[NH2+]C[C@H](O)CNC(=O)c2cn(C)cn2)o1 ZINC001445147641 891607797 /nfs/dbraw/zinc/60/77/97/891607797.db2.gz CFSQJRHDFCUCRW-VIFPVBQESA-N 1 2 294.315 -1.008 20 0 CAADLO Cc1nnc(C[NH2+]C[C@H](O)CNC(=O)[C@H]2CCC(=O)N2)o1 ZINC001445156143 891609602 /nfs/dbraw/zinc/60/96/02/891609602.db2.gz MLUPOSXDUYDQGC-DTWKUNHWSA-N 1 2 297.315 -1.777 20 0 CAADLO CCn1ncnc1C[NH2+]C[C@@H](O)CNC(=O)c1cn[nH]n1 ZINC001445201378 891617633 /nfs/dbraw/zinc/61/76/33/891617633.db2.gz KMPDQZCBJOAKMC-MRVPVSSYSA-N 1 2 294.319 -1.703 20 0 CAADLO CCn1ncnc1C[NH2+]C[C@@H](O)CNC(=O)c1cnn[nH]1 ZINC001445201378 891617640 /nfs/dbraw/zinc/61/76/40/891617640.db2.gz KMPDQZCBJOAKMC-MRVPVSSYSA-N 1 2 294.319 -1.703 20 0 CAADLO Cn1ncc(C(=O)NC[C@@H](O)C[NH2+]Cc2csnn2)n1 ZINC001445258705 891624500 /nfs/dbraw/zinc/62/45/00/891624500.db2.gz SSNLPOVTAOSUNY-QMMMGPOBSA-N 1 2 297.344 -1.453 20 0 CAADLO COc1cc(C[NH2+]C[C@H](O)CNC(=O)c2nnc[nH]2)on1 ZINC001445244133 891625090 /nfs/dbraw/zinc/62/50/90/891625090.db2.gz AUJCZWOYXNUAFF-ZETCQYMHSA-N 1 2 296.287 -1.318 20 0 CAADLO COc1cc(C[NH2+]C[C@H](O)CNC(=O)c2ncn[nH]2)on1 ZINC001445244133 891625096 /nfs/dbraw/zinc/62/50/96/891625096.db2.gz AUJCZWOYXNUAFF-ZETCQYMHSA-N 1 2 296.287 -1.318 20 0 CAADLO COc1cc(C[NH2+]C[C@H](O)CNC(=O)c2nc[nH]n2)on1 ZINC001445244133 891625104 /nfs/dbraw/zinc/62/51/04/891625104.db2.gz AUJCZWOYXNUAFF-ZETCQYMHSA-N 1 2 296.287 -1.318 20 0 CAADLO Cn1ccnc1C[NH2+]C[C@H](O)CNC(=O)c1nnc[nH]1 ZINC001445256212 891625292 /nfs/dbraw/zinc/62/52/92/891625292.db2.gz QAEQLACXAZBKKH-QMMMGPOBSA-N 1 2 279.304 -1.581 20 0 CAADLO Cn1ccnc1C[NH2+]C[C@H](O)CNC(=O)c1nc[nH]n1 ZINC001445256212 891625306 /nfs/dbraw/zinc/62/53/06/891625306.db2.gz QAEQLACXAZBKKH-QMMMGPOBSA-N 1 2 279.304 -1.581 20 0 CAADLO Cn1ccnc1C[NH2+]C[C@H](O)CNC(=O)c1ncn[nH]1 ZINC001445256212 891625314 /nfs/dbraw/zinc/62/53/14/891625314.db2.gz QAEQLACXAZBKKH-QMMMGPOBSA-N 1 2 279.304 -1.581 20 0 CAADLO Cc1noc(C[NH2+]C[C@@H](O)CNC(=O)Cc2ncc[nH]2)n1 ZINC001445283518 891628149 /nfs/dbraw/zinc/62/81/49/891628149.db2.gz ZTZCVWOQKRSJNZ-SECBINFHSA-N 1 2 294.315 -1.089 20 0 CAADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)c1ccc(=O)[nH]n1 ZINC001445374074 891633081 /nfs/dbraw/zinc/63/30/81/891633081.db2.gz PQRGZMLXMBQIAE-SNVBAGLBSA-N 1 2 296.327 -1.053 20 0 CAADLO CO[C@@H](C)C(=O)N[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1O ZINC001445504419 891639559 /nfs/dbraw/zinc/63/95/59/891639559.db2.gz LPWOHCUOMMNXEP-HBNTYKKESA-N 1 2 296.327 -1.394 20 0 CAADLO CNC(=O)Cc1noc(C[NH2+]C[C@H](C)NC(=O)COC)n1 ZINC001445502187 891640189 /nfs/dbraw/zinc/64/01/89/891640189.db2.gz CODTUQFPNQETAQ-QMMMGPOBSA-N 1 2 299.331 -1.401 20 0 CAADLO CCc1nnc(C[NH2+]C[C@H](C)NC(=O)Cn2cnnn2)o1 ZINC001445509826 891640480 /nfs/dbraw/zinc/64/04/80/891640480.db2.gz FUCAKARHXPALOO-QMMMGPOBSA-N 1 2 294.319 -1.087 20 0 CAADLO O=C(CNC(=O)[C@H]1CCn2cc[nH+]c2C1)NCCO ZINC001445660357 891650780 /nfs/dbraw/zinc/65/07/80/891650780.db2.gz UOSLJVVYBTVNTE-VIFPVBQESA-N 1 2 266.301 -1.330 20 0 CAADLO CNC(=O)NCC(=O)N[C@H](C)C[N@H+](C)Cc1cnnn1C ZINC001445726139 891653097 /nfs/dbraw/zinc/65/30/97/891653097.db2.gz CQEXZWFVVNHJSX-SECBINFHSA-N 1 2 297.363 -1.319 20 0 CAADLO CNC(=O)NCC(=O)N[C@H](C)C[N@@H+](C)Cc1cnnn1C ZINC001445726139 891653103 /nfs/dbraw/zinc/65/31/03/891653103.db2.gz CQEXZWFVVNHJSX-SECBINFHSA-N 1 2 297.363 -1.319 20 0 CAADLO C[C@H](C[N@H+](C)Cc1cnnn1C)NC(=O)CCNC(N)=O ZINC001445867214 891656932 /nfs/dbraw/zinc/65/69/32/891656932.db2.gz UJAMJNFJHBHSRN-SECBINFHSA-N 1 2 297.363 -1.190 20 0 CAADLO C[C@H](C[N@@H+](C)Cc1cnnn1C)NC(=O)CCNC(N)=O ZINC001445867214 891656937 /nfs/dbraw/zinc/65/69/37/891656937.db2.gz UJAMJNFJHBHSRN-SECBINFHSA-N 1 2 297.363 -1.190 20 0 CAADLO CNC(=O)NCCC(=O)NC[C@@H]1CC[N@@H+]1[C@@H](C)C(N)=O ZINC001446029327 891658908 /nfs/dbraw/zinc/65/89/08/891658908.db2.gz FKXHMHDHFKOVIY-IUCAKERBSA-N 1 2 285.348 -1.630 20 0 CAADLO CNC(=O)NCCC(=O)NC[C@@H]1CC[N@H+]1[C@@H](C)C(N)=O ZINC001446029327 891658923 /nfs/dbraw/zinc/65/89/23/891658923.db2.gz FKXHMHDHFKOVIY-IUCAKERBSA-N 1 2 285.348 -1.630 20 0 CAADLO CNC(=O)NCCC(=O)NC[C@H]1CC[N@@H+]1[C@@H](C)C(N)=O ZINC001446029322 891659059 /nfs/dbraw/zinc/65/90/59/891659059.db2.gz FKXHMHDHFKOVIY-DTWKUNHWSA-N 1 2 285.348 -1.630 20 0 CAADLO CNC(=O)NCCC(=O)NC[C@H]1CC[N@H+]1[C@@H](C)C(N)=O ZINC001446029322 891659069 /nfs/dbraw/zinc/65/90/69/891659069.db2.gz FKXHMHDHFKOVIY-DTWKUNHWSA-N 1 2 285.348 -1.630 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+]1CC[C@H]1CNC(=O)CN(C)C(C)=O ZINC001446020048 891659679 /nfs/dbraw/zinc/65/96/79/891659679.db2.gz RRNOXBDOPSOWJF-KOLCDFICSA-N 1 2 284.360 -1.210 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+]1CC[C@H]1CNC(=O)CN(C)C(C)=O ZINC001446020048 891659686 /nfs/dbraw/zinc/65/96/86/891659686.db2.gz RRNOXBDOPSOWJF-KOLCDFICSA-N 1 2 284.360 -1.210 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CC[C@@H]1CNC(=O)CNC(=O)C1CC1 ZINC001446048187 891661738 /nfs/dbraw/zinc/66/17/38/891661738.db2.gz VXNIXBACRYZHHM-PSASIEDQSA-N 1 2 282.344 -1.423 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CC[C@@H]1CNC(=O)CNC(=O)C1CC1 ZINC001446048187 891661748 /nfs/dbraw/zinc/66/17/48/891661748.db2.gz VXNIXBACRYZHHM-PSASIEDQSA-N 1 2 282.344 -1.423 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CC[C@H]1CNC(=O)CNC(=O)C1CC1 ZINC001446048224 891661811 /nfs/dbraw/zinc/66/18/11/891661811.db2.gz VXNIXBACRYZHHM-SCZZXKLOSA-N 1 2 282.344 -1.423 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CC[C@H]1CNC(=O)CNC(=O)C1CC1 ZINC001446048224 891661817 /nfs/dbraw/zinc/66/18/17/891661817.db2.gz VXNIXBACRYZHHM-SCZZXKLOSA-N 1 2 282.344 -1.423 20 0 CAADLO COC(=O)NCC(=O)NC[C@H]1CC[N@@H+]1[C@@H](C)C(N)=O ZINC001446048563 891661944 /nfs/dbraw/zinc/66/19/44/891661944.db2.gz WNBRXLRQWGHXBB-JGVFFNPUSA-N 1 2 272.305 -1.593 20 0 CAADLO COC(=O)NCC(=O)NC[C@H]1CC[N@H+]1[C@@H](C)C(N)=O ZINC001446048563 891661954 /nfs/dbraw/zinc/66/19/54/891661954.db2.gz WNBRXLRQWGHXBB-JGVFFNPUSA-N 1 2 272.305 -1.593 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CC[C@H]1CNC(=O)CN1CCCNC1=O ZINC001446048116 891662016 /nfs/dbraw/zinc/66/20/16/891662016.db2.gz HBANYTQYULUMJT-ZJUUUORDSA-N 1 2 297.359 -1.534 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CC[C@H]1CNC(=O)CN1CCCNC1=O ZINC001446048116 891662023 /nfs/dbraw/zinc/66/20/23/891662023.db2.gz HBANYTQYULUMJT-ZJUUUORDSA-N 1 2 297.359 -1.534 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CC[C@@H]1CNC(=O)CN1CCCNC1=O ZINC001446048084 891662436 /nfs/dbraw/zinc/66/24/36/891662436.db2.gz HBANYTQYULUMJT-NXEZZACHSA-N 1 2 297.359 -1.534 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CC[C@@H]1CNC(=O)CN1CCCNC1=O ZINC001446048084 891662447 /nfs/dbraw/zinc/66/24/47/891662447.db2.gz HBANYTQYULUMJT-NXEZZACHSA-N 1 2 297.359 -1.534 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CC[C@@H]1CNC(=O)CN1CCCNC1=O ZINC001446048109 891662751 /nfs/dbraw/zinc/66/27/51/891662751.db2.gz HBANYTQYULUMJT-VHSXEESVSA-N 1 2 297.359 -1.534 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CC[C@@H]1CNC(=O)CN1CCCNC1=O ZINC001446048109 891662757 /nfs/dbraw/zinc/66/27/57/891662757.db2.gz HBANYTQYULUMJT-VHSXEESVSA-N 1 2 297.359 -1.534 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+]1CC[C@H]1CNC(=O)Cc1nnc(C)[nH]1 ZINC001446039941 891663007 /nfs/dbraw/zinc/66/30/07/891663007.db2.gz LYQXAPZLDOFLFT-SCZZXKLOSA-N 1 2 294.359 -1.019 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+]1CC[C@H]1CNC(=O)Cc1nnc(C)[nH]1 ZINC001446039941 891663015 /nfs/dbraw/zinc/66/30/15/891663015.db2.gz LYQXAPZLDOFLFT-SCZZXKLOSA-N 1 2 294.359 -1.019 20 0 CAADLO CCN(C)C(=O)C[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CNC(=O)N1 ZINC001446069929 891663493 /nfs/dbraw/zinc/66/34/93/891663493.db2.gz FHZVDDGHJALFTF-ZJUUUORDSA-N 1 2 297.359 -1.663 20 0 CAADLO CCN(C)C(=O)C[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CNC(=O)N1 ZINC001446069929 891663501 /nfs/dbraw/zinc/66/35/01/891663501.db2.gz FHZVDDGHJALFTF-ZJUUUORDSA-N 1 2 297.359 -1.663 20 0 CAADLO COC[C@@H](O)C[N@@H+]1CC[C@H]1CNC(=O)Cc1n[nH]c(C)n1 ZINC001446048668 891663584 /nfs/dbraw/zinc/66/35/84/891663584.db2.gz UEWBFJFBOIKMOH-QWRGUYRKSA-N 1 2 297.359 -1.147 20 0 CAADLO COC[C@@H](O)C[N@H+]1CC[C@H]1CNC(=O)Cc1n[nH]c(C)n1 ZINC001446048668 891663595 /nfs/dbraw/zinc/66/35/95/891663595.db2.gz UEWBFJFBOIKMOH-QWRGUYRKSA-N 1 2 297.359 -1.147 20 0 CAADLO Cn1nnnc1CN1CC[C@@H]1CNC(=O)Cc1[nH]cc[nH+]1 ZINC001446089534 891664226 /nfs/dbraw/zinc/66/42/26/891664226.db2.gz DQYMVQUWPFXBKC-SECBINFHSA-N 1 2 290.331 -1.134 20 0 CAADLO CN1CC[C@H]([N@@H+]2CC[C@@H]2CNC(=O)Cc2nc[nH]n2)C1=O ZINC001446126901 891666090 /nfs/dbraw/zinc/66/60/90/891666090.db2.gz KBZKQGWHCRMBCO-ZJUUUORDSA-N 1 2 292.343 -1.232 20 0 CAADLO CN1CC[C@H]([N@H+]2CC[C@@H]2CNC(=O)Cc2nc[nH]n2)C1=O ZINC001446126901 891666098 /nfs/dbraw/zinc/66/60/98/891666098.db2.gz KBZKQGWHCRMBCO-ZJUUUORDSA-N 1 2 292.343 -1.232 20 0 CAADLO O=C(Cc1nc[nH]n1)NC[C@@H]1CC[N@@H+]1[C@@H]1CCCNC1=O ZINC001446133092 891666543 /nfs/dbraw/zinc/66/65/43/891666543.db2.gz VWPNHBUYMINGBC-VHSXEESVSA-N 1 2 292.343 -1.184 20 0 CAADLO O=C(Cc1nc[nH]n1)NC[C@@H]1CC[N@H+]1[C@@H]1CCCNC1=O ZINC001446133092 891666544 /nfs/dbraw/zinc/66/65/44/891666544.db2.gz VWPNHBUYMINGBC-VHSXEESVSA-N 1 2 292.343 -1.184 20 0 CAADLO Cn1ncnc1C[NH2+]C1(CNC(=O)[C@@H]2COC(=O)N2)CC1 ZINC001446168270 891666722 /nfs/dbraw/zinc/66/67/22/891666722.db2.gz HPJMQRAOACMVFP-QMMMGPOBSA-N 1 2 294.315 -1.338 20 0 CAADLO CS(=O)(=O)CC[NH2+]C1(CNC(=O)c2nc[nH]n2)CC1 ZINC001446258626 891669555 /nfs/dbraw/zinc/66/95/55/891669555.db2.gz OEQQYQDHDOZPDT-UHFFFAOYSA-N 1 2 287.345 -1.299 20 0 CAADLO Cn1ccc(C(=O)NCC2([NH2+]Cc3nnnn3C)CC2)n1 ZINC001446277897 891670263 /nfs/dbraw/zinc/67/02/63/891670263.db2.gz PCXVATNKCWTECT-UHFFFAOYSA-N 1 2 290.331 -1.004 20 0 CAADLO COC[C@H](O)C[NH+]1CC(N(C)C(=O)c2cnnn2C)C1 ZINC001446362901 891674694 /nfs/dbraw/zinc/67/46/94/891674694.db2.gz FMNDDGCHDCQCTG-SNVBAGLBSA-N 1 2 283.332 -1.421 20 0 CAADLO CCS(=O)(=O)NCC(=O)N(C)C1C[NH+](CCOC)C1 ZINC001446375981 891674755 /nfs/dbraw/zinc/67/47/55/891674755.db2.gz NKMHIAHQPKQKFB-UHFFFAOYSA-N 1 2 293.389 -1.285 20 0 CAADLO CN(C(=O)CC[C@H]1CC[C@@H](C(N)=O)O1)C1C[NH+](CCO)C1 ZINC001446370066 891675601 /nfs/dbraw/zinc/67/56/01/891675601.db2.gz KPXIOHQGKBJAPQ-NEPJUHHUSA-N 1 2 299.371 -1.066 20 0 CAADLO NC(=O)CC(=O)NC1CC[NH+]([C@H]2CCOC2=O)CC1 ZINC001446596488 891682100 /nfs/dbraw/zinc/68/21/00/891682100.db2.gz OLIKCCGWMHOMPE-VIFPVBQESA-N 1 2 269.301 -1.242 20 0 CAADLO CO[C@H](C)C(=O)NC[C@]1(O)CC[N@H+](Cc2cn(C)nn2)C1 ZINC001446746120 891685424 /nfs/dbraw/zinc/68/54/24/891685424.db2.gz HZGPGILFFALDPN-ZWNOBZJWSA-N 1 2 297.359 -1.097 20 0 CAADLO CO[C@H](C)C(=O)NC[C@]1(O)CC[N@@H+](Cc2cn(C)nn2)C1 ZINC001446746120 891685431 /nfs/dbraw/zinc/68/54/31/891685431.db2.gz HZGPGILFFALDPN-ZWNOBZJWSA-N 1 2 297.359 -1.097 20 0 CAADLO CO[C@@H](C)C(=O)NC[C@@]1(O)CC[N@H+](Cc2cn(C)nn2)C1 ZINC001446746116 891687541 /nfs/dbraw/zinc/68/75/41/891687541.db2.gz HZGPGILFFALDPN-GWCFXTLKSA-N 1 2 297.359 -1.097 20 0 CAADLO CO[C@@H](C)C(=O)NC[C@@]1(O)CC[N@@H+](Cc2cn(C)nn2)C1 ZINC001446746116 891687547 /nfs/dbraw/zinc/68/75/47/891687547.db2.gz HZGPGILFFALDPN-GWCFXTLKSA-N 1 2 297.359 -1.097 20 0 CAADLO C[C@H](O)C[NH+]1CC(O)(CNC(=O)[C@H](C)n2cccn2)C1 ZINC001446821537 891693552 /nfs/dbraw/zinc/69/35/52/891693552.db2.gz IPRNUSGHPGHHIX-QWRGUYRKSA-N 1 2 282.344 -1.012 20 0 CAADLO C[C@@H](O)C[NH+]1CC(O)(CNC(=O)[C@@H](C)n2cccn2)C1 ZINC001446821532 891693699 /nfs/dbraw/zinc/69/36/99/891693699.db2.gz IPRNUSGHPGHHIX-GHMZBOCLSA-N 1 2 282.344 -1.012 20 0 CAADLO CO[C@H](C(=O)NCC1(O)C[NH+](CCCO)C1)C1CC1 ZINC001446836248 891696010 /nfs/dbraw/zinc/69/60/10/891696010.db2.gz HGLPDUSIQBKLNJ-NSHDSACASA-N 1 2 272.345 -1.043 20 0 CAADLO COC[C@H](C)[NH+]1CC(O)(CNC(=O)Cc2nnc(C)[nH]2)C1 ZINC001446841683 891696550 /nfs/dbraw/zinc/69/65/50/891696550.db2.gz HEWIGKHDLFADSF-VIFPVBQESA-N 1 2 297.359 -1.147 20 0 CAADLO CO[C@@H](C(=O)NCC1(O)C[NH+](CCCO)C1)C1CC1 ZINC001446836245 891696631 /nfs/dbraw/zinc/69/66/31/891696631.db2.gz HGLPDUSIQBKLNJ-LLVKDONJSA-N 1 2 272.345 -1.043 20 0 CAADLO C[C@H](O)C[NH+]1CC(O)(CNC(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC001446859237 891699270 /nfs/dbraw/zinc/69/92/70/891699270.db2.gz ZVGRDGQGWVCWFP-IUCAKERBSA-N 1 2 286.332 -2.446 20 0 CAADLO CC[NH+]1CC(O)(CNC(=O)CNS(=O)(=O)NC)C1 ZINC001446857074 891699296 /nfs/dbraw/zinc/69/92/96/891699296.db2.gz QFAADGDEWHQIAO-UHFFFAOYSA-N 1 2 280.350 -2.777 20 0 CAADLO C[C@@H](O)C[NH+]1CC(O)(CNC(=O)c2cnn3c2CCC3)C1 ZINC001446853569 891699382 /nfs/dbraw/zinc/69/93/82/891699382.db2.gz FUYSZBUKPXNZDI-SNVBAGLBSA-N 1 2 294.355 -1.013 20 0 CAADLO C[C@H](O)C[NH+]1CC(O)(CNC(=O)c2cn(C)c(=O)[nH]2)C1 ZINC001446870125 891699607 /nfs/dbraw/zinc/69/96/07/891699607.db2.gz SVNSYNAWTHRZRT-QMMMGPOBSA-N 1 2 284.316 -1.717 20 0 CAADLO COC[C@@H](C)[NH+]1CC(O)(CNC(=O)c2[nH]nnc2C)C1 ZINC001446858300 891699803 /nfs/dbraw/zinc/69/98/03/891699803.db2.gz VMPPDMJTUUCHHW-MRVPVSSYSA-N 1 2 283.332 -1.075 20 0 CAADLO C[C@H](O)C[NH+]1CC(O)(CNC(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC001446859236 891699916 /nfs/dbraw/zinc/69/99/16/891699916.db2.gz ZVGRDGQGWVCWFP-DTWKUNHWSA-N 1 2 286.332 -2.446 20 0 CAADLO Cc1noc(CCC(=O)NCC2(O)C[NH+](C[C@H](C)O)C2)n1 ZINC001446854848 891700152 /nfs/dbraw/zinc/70/01/52/891700152.db2.gz JLIBXRHYXRKWNX-VIFPVBQESA-N 1 2 298.343 -1.146 20 0 CAADLO CC[NH+]1CC(O)(CNC(=O)CCCS(N)(=O)=O)C1 ZINC001446862068 891700820 /nfs/dbraw/zinc/70/08/20/891700820.db2.gz OCIAEYHJYWQHKN-UHFFFAOYSA-N 1 2 279.362 -1.762 20 0 CAADLO C[C@@H](O)C[NH+]1CC(O)(CNC(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC001446859238 891701122 /nfs/dbraw/zinc/70/11/22/891701122.db2.gz ZVGRDGQGWVCWFP-RKDXNWHRSA-N 1 2 286.332 -2.446 20 0 CAADLO Cn1ccnc1CCC(=O)NCC1(O)C[NH+](CCCO)C1 ZINC001446868423 891701148 /nfs/dbraw/zinc/70/11/48/891701148.db2.gz QTXXMUFBLKYLKH-UHFFFAOYSA-N 1 2 296.371 -1.102 20 0 CAADLO COCC[NH+]1CC(O)(CNC(=O)c2ccc(=O)n(C)n2)C1 ZINC001446894318 891702687 /nfs/dbraw/zinc/70/26/87/891702687.db2.gz BQDAUHXKDGNTFX-UHFFFAOYSA-N 1 2 296.327 -1.797 20 0 CAADLO COC[C@H](OC)C(=O)NCC1(O)C[NH+](C[C@@H](C)O)C1 ZINC001446876543 891702814 /nfs/dbraw/zinc/70/28/14/891702814.db2.gz NLLQTUQPQVDOTO-ZJUUUORDSA-N 1 2 276.333 -1.809 20 0 CAADLO O=C(NCC1(O)C[NH+](CCCO)C1)[C@@H]1C[C@]12CCOC2 ZINC001446902023 891703305 /nfs/dbraw/zinc/70/33/05/891703305.db2.gz UDLVOKWQYQKZLV-AAEUAGOBSA-N 1 2 284.356 -1.042 20 0 CAADLO O=C(NCC1(O)C[NH+](CCCO)C1)[C@@H]1C[C@@]12CCOC2 ZINC001446902026 891703937 /nfs/dbraw/zinc/70/39/37/891703937.db2.gz UDLVOKWQYQKZLV-WCQYABFASA-N 1 2 284.356 -1.042 20 0 CAADLO CNC(=O)[C@H](C)N1CC(O)(CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001446883560 891705188 /nfs/dbraw/zinc/70/51/88/891705188.db2.gz BQWNZYQWLAISBG-VIFPVBQESA-N 1 2 295.343 -1.750 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CCC[C@@](CO)(NC(=O)c2ncc[nH]2)C1 ZINC001447006635 891708886 /nfs/dbraw/zinc/70/88/86/891708886.db2.gz ROEINRLLCBDWPJ-TVQRCGJNSA-N 1 2 295.343 -1.160 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CCC[C@@](CO)(NC(=O)c2ncc[nH]2)C1 ZINC001447006635 891708880 /nfs/dbraw/zinc/70/88/80/891708880.db2.gz ROEINRLLCBDWPJ-TVQRCGJNSA-N 1 2 295.343 -1.160 20 0 CAADLO NC(=O)CN1CCOC[C@@H]1CNC(=O)CCc1c[nH]c[nH+]1 ZINC001447149639 891717736 /nfs/dbraw/zinc/71/77/36/891717736.db2.gz DIFXNZNZOVYNPM-NSHDSACASA-N 1 2 295.343 -1.355 20 0 CAADLO NC(=O)CN1CCOC[C@@H]1CNC(=O)CCc1c[nH+]c[nH]1 ZINC001447149639 891717746 /nfs/dbraw/zinc/71/77/46/891717746.db2.gz DIFXNZNZOVYNPM-NSHDSACASA-N 1 2 295.343 -1.355 20 0 CAADLO NC(=O)CN1CCOC[C@H]1CNC(=O)CCc1c[nH]c[nH+]1 ZINC001447149636 891717933 /nfs/dbraw/zinc/71/79/33/891717933.db2.gz DIFXNZNZOVYNPM-LLVKDONJSA-N 1 2 295.343 -1.355 20 0 CAADLO NC(=O)CN1CCOC[C@H]1CNC(=O)CCc1c[nH+]c[nH]1 ZINC001447149636 891717942 /nfs/dbraw/zinc/71/79/42/891717942.db2.gz DIFXNZNZOVYNPM-LLVKDONJSA-N 1 2 295.343 -1.355 20 0 CAADLO C[C@@H]([NH2+]C[C@@H]1CN(C(=O)Cc2ncn[nH]2)CCO1)C(N)=O ZINC001447315822 891719975 /nfs/dbraw/zinc/71/99/75/891719975.db2.gz VWFIJYSRGKUXGS-RKDXNWHRSA-N 1 2 296.331 -1.962 20 0 CAADLO C[C@@H]([NH2+]C[C@H]1CN(C(=O)Cc2ncn[nH]2)CCO1)C(N)=O ZINC001447315809 891722376 /nfs/dbraw/zinc/72/23/76/891722376.db2.gz VWFIJYSRGKUXGS-BDAKNGLRSA-N 1 2 296.331 -1.962 20 0 CAADLO CC(=O)NCC(=O)N[C@H]1COC2(C[NH+](C[C@@H](C)O)C2)C1 ZINC001447400475 891723631 /nfs/dbraw/zinc/72/36/31/891723631.db2.gz MHGHUORVEZCFCG-MWLCHTKSSA-N 1 2 285.344 -1.537 20 0 CAADLO CC(=O)NCC(=O)N[C@H]1C[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001447382910 891724966 /nfs/dbraw/zinc/72/49/66/891724966.db2.gz FSSPSXNBEBPTTE-MGCOHNPYSA-N 1 2 293.327 -1.148 20 0 CAADLO CC(=O)NC(C)(C)C(=O)N[C@H]1COC2(C[NH+](CCO)C2)C1 ZINC001447391265 891725984 /nfs/dbraw/zinc/72/59/84/891725984.db2.gz YDOMOBZCPRKNEQ-LLVKDONJSA-N 1 2 299.371 -1.147 20 0 CAADLO Cn1c[nH+]cc1CCNC(=O)Cn1cnc(C(N)=O)n1 ZINC001447625112 891734193 /nfs/dbraw/zinc/73/41/93/891734193.db2.gz AELVRBAYTYEUDT-UHFFFAOYSA-N 1 2 277.288 -1.531 20 0 CAADLO C[C@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)NC(=O)c1nnc[nH]1 ZINC001447857934 891742075 /nfs/dbraw/zinc/74/20/75/891742075.db2.gz WLUMXEWMILXYTD-RKDXNWHRSA-N 1 2 296.331 -1.630 20 0 CAADLO C[C@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)NC(=O)c1nnc[nH]1 ZINC001447857934 891742082 /nfs/dbraw/zinc/74/20/82/891742082.db2.gz WLUMXEWMILXYTD-RKDXNWHRSA-N 1 2 296.331 -1.630 20 0 CAADLO CCC(=O)NC[C@@H](C)[N@H+](C)CC(=O)N1CCNC(=O)C1 ZINC001447972865 891744686 /nfs/dbraw/zinc/74/46/86/891744686.db2.gz JNUUBBYWOKEVRG-SNVBAGLBSA-N 1 2 284.360 -1.209 20 0 CAADLO CCC(=O)NC[C@@H](C)[N@@H+](C)CC(=O)N1CCNC(=O)C1 ZINC001447972865 891744695 /nfs/dbraw/zinc/74/46/95/891744695.db2.gz JNUUBBYWOKEVRG-SNVBAGLBSA-N 1 2 284.360 -1.209 20 0 CAADLO CC(=O)N(C)CC(=O)N[C@@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001448029217 891747225 /nfs/dbraw/zinc/74/72/25/891747225.db2.gz RMLBCXOHGCHNJH-JTQLQIEISA-N 1 2 295.343 -1.018 20 0 CAADLO NC(=O)N[C@@H](CO)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC001448022517 891749416 /nfs/dbraw/zinc/74/94/16/891749416.db2.gz JNQNSMMGUXMIJE-YUMQZZPRSA-N 1 2 267.289 -1.657 20 0 CAADLO O=C(NC1(CCO)C[NH+](CCO)C1)[C@H]1CCCOC1 ZINC001448151760 891753000 /nfs/dbraw/zinc/75/30/00/891753000.db2.gz SBRUEIVWCHNAHR-NSHDSACASA-N 1 2 272.345 -1.042 20 0 CAADLO O=C(NC1(CCO)C[NH+](CCO)C1)[C@H]1CCNC(=O)C1 ZINC001448169167 891753338 /nfs/dbraw/zinc/75/33/38/891753338.db2.gz QKPVBGIHFHMSPJ-JTQLQIEISA-N 1 2 285.344 -1.942 20 0 CAADLO C[C@@H](O)C[NH+]1CC(CCO)(NC(=O)[C@H]2CC(=O)N(C)C2)C1 ZINC001448175281 891754013 /nfs/dbraw/zinc/75/40/13/891754013.db2.gz JNNZHDGWXUDGKH-MNOVXSKESA-N 1 2 299.371 -1.602 20 0 CAADLO C[C@H](O)C[NH+]1CC(CCO)(NC(=O)[C@@H]2CC(=O)N(C)C2)C1 ZINC001448175287 891754257 /nfs/dbraw/zinc/75/42/57/891754257.db2.gz JNNZHDGWXUDGKH-WDEREUQCSA-N 1 2 299.371 -1.602 20 0 CAADLO CN1CC[C@H](CC(=O)NC2(CCO)C[NH+](CCO)C2)C1=O ZINC001448174384 891754561 /nfs/dbraw/zinc/75/45/61/891754561.db2.gz IOPNBJZOSZBKEY-LLVKDONJSA-N 1 2 299.371 -1.600 20 0 CAADLO O=C(NC1(CCO)C[NH+](CCO)C1)[C@@H]1CCNC(=O)C1 ZINC001448169168 891754875 /nfs/dbraw/zinc/75/48/75/891754875.db2.gz QKPVBGIHFHMSPJ-SNVBAGLBSA-N 1 2 285.344 -1.942 20 0 CAADLO CC[NH+]1CC(CCO)(NC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001448173257 891754896 /nfs/dbraw/zinc/75/48/96/891754896.db2.gz WVEGMHYUFVGJHZ-UHFFFAOYSA-N 1 2 296.331 -2.050 20 0 CAADLO COC[C@@H](OC)C(=O)NC1(CCO)C[NH+](C[C@@H](C)O)C1 ZINC001448184546 891756894 /nfs/dbraw/zinc/75/68/94/891756894.db2.gz ABTRJSQZBIKZNB-GHMZBOCLSA-N 1 2 290.360 -1.418 20 0 CAADLO Cn1ccc(C(=O)NC2(CCO)C[NH+](CCCO)C2)n1 ZINC001448206476 891757265 /nfs/dbraw/zinc/75/72/65/891757265.db2.gz WGSPUQJWGAUQGJ-UHFFFAOYSA-N 1 2 282.344 -1.031 20 0 CAADLO CO[C@@H](C)C[NH+]1CC(CCO)(NC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001448201871 891757869 /nfs/dbraw/zinc/75/78/69/891757869.db2.gz RBGFFABRPFLJOH-QWRGUYRKSA-N 1 2 299.371 -1.147 20 0 CAADLO Cc1noc(CCC(=O)NC2(CCO)C[NH+](CCO)C2)n1 ZINC001448180195 891758321 /nfs/dbraw/zinc/75/83/21/891758321.db2.gz QRCQBOZJDBTGIJ-UHFFFAOYSA-N 1 2 298.343 -1.144 20 0 CAADLO C[C@H](NC(=O)c1ncc[nH]1)C1C[NH+](CC(=O)NC(N)=O)C1 ZINC001448278614 891758398 /nfs/dbraw/zinc/75/83/98/891758398.db2.gz DHBYAYDGZVSMEE-ZETCQYMHSA-N 1 2 294.315 -1.345 20 0 CAADLO CO[C@@H](C)C[NH+]1CC(CCO)(NC(=O)Cc2nc[nH]n2)C1 ZINC001448197000 891758438 /nfs/dbraw/zinc/75/84/38/891758438.db2.gz HBFIYUHBJACMJR-JTQLQIEISA-N 1 2 297.359 -1.065 20 0 CAADLO COC[C@@H](C)[NH+]1CC(CCO)(NC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001448204324 891758641 /nfs/dbraw/zinc/75/86/41/891758641.db2.gz WKNZMUFCMBHACG-MNOVXSKESA-N 1 2 299.371 -1.147 20 0 CAADLO COCC[NH+]1CC(CCO)(NC(=O)[C@H]2CC[C@@H]2C(N)=O)C1 ZINC001448179695 891758657 /nfs/dbraw/zinc/75/86/57/891758657.db2.gz IQXNMIKGLSXFAQ-QWRGUYRKSA-N 1 2 299.371 -1.303 20 0 CAADLO C[C@H](O)C[NH+]1CC(CCO)(NC(=O)c2c[nH]c(=O)n2C)C1 ZINC001448180976 891758671 /nfs/dbraw/zinc/75/86/71/891758671.db2.gz XMCFKHOVIKCWAZ-VIFPVBQESA-N 1 2 298.343 -1.327 20 0 CAADLO C[C@H](NC(=O)[C@]1(C)CCNC(=O)C1)C1C[NH+](CC(N)=O)C1 ZINC001448313988 891760646 /nfs/dbraw/zinc/76/06/46/891760646.db2.gz ILHSRBCXZAJNRV-LKFCYVNXSA-N 1 2 296.371 -1.176 20 0 CAADLO Cc1nonc1CC(=O)N[C@@H](C)C1C[NH+](CC(N)=O)C1 ZINC001448335812 891761163 /nfs/dbraw/zinc/76/11/63/891761163.db2.gz GPMLECOTRMDGBO-ZETCQYMHSA-N 1 2 281.316 -1.158 20 0 CAADLO CCNC(=O)C[NH+]1CC([C@H](C)NC(=O)Cn2cncn2)C1 ZINC001448336118 891761933 /nfs/dbraw/zinc/76/19/33/891761933.db2.gz FTWSPNJKMNVIOS-JTQLQIEISA-N 1 2 294.359 -1.149 20 0 CAADLO CCNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)Cc1ncn[nH]1 ZINC001448756080 891773042 /nfs/dbraw/zinc/77/30/42/891773042.db2.gz SXQOZMLZMKNLHK-VIFPVBQESA-N 1 2 282.348 -1.080 20 0 CAADLO C[C@H](CN(C)C(=O)Cc1ncn[nH]1)[NH2+][C@H]1CCNC1=O ZINC001448756946 891774336 /nfs/dbraw/zinc/77/43/36/891774336.db2.gz VENDBFGEERLZJO-BDAKNGLRSA-N 1 2 280.332 -1.328 20 0 CAADLO C[C@H]([NH2+][C@@H](CO)CNC(=O)C(C)(F)F)c1nnnn1C ZINC001448805704 891776334 /nfs/dbraw/zinc/77/63/34/891776334.db2.gz YRNRIDWSYZRWPZ-NKWVEPMBSA-N 1 2 292.290 -1.007 20 0 CAADLO CCOCC(=O)NC[C@@H](CO)[NH2+][C@@H](C)c1nnnn1C ZINC001448787928 891776874 /nfs/dbraw/zinc/77/68/74/891776874.db2.gz BODLVLCIZGYUNM-IUCAKERBSA-N 1 2 286.336 -1.626 20 0 CAADLO CCOCC(=O)NC[C@H](CO)[NH2+]Cc1cn(C)nn1 ZINC001448796418 891776906 /nfs/dbraw/zinc/77/69/06/891776906.db2.gz UQOLDCWFLMWGNL-SNVBAGLBSA-N 1 2 271.321 -1.582 20 0 CAADLO CCOCC(=O)NC[C@@H](CO)[NH2+]Cc1cn(C)nn1 ZINC001448796408 891776963 /nfs/dbraw/zinc/77/69/63/891776963.db2.gz UQOLDCWFLMWGNL-JTQLQIEISA-N 1 2 271.321 -1.582 20 0 CAADLO C[C@@H]([NH2+][C@H](CO)CNC(=O)C(C)(F)F)c1nnnn1C ZINC001448805711 891777629 /nfs/dbraw/zinc/77/76/29/891777629.db2.gz YRNRIDWSYZRWPZ-RQJHMYQMSA-N 1 2 292.290 -1.007 20 0 CAADLO CCCC(=O)NC[C@H](CO)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001448791004 891778559 /nfs/dbraw/zinc/77/85/59/891778559.db2.gz CDIQJQGWZTZSLV-MRVPVSSYSA-N 1 2 271.321 -1.525 20 0 CAADLO CCOCC(=O)NC[C@H](CO)[NH2+][C@@H](C)c1nnnn1C ZINC001448787926 891778660 /nfs/dbraw/zinc/77/86/60/891778660.db2.gz BODLVLCIZGYUNM-DTWKUNHWSA-N 1 2 286.336 -1.626 20 0 CAADLO CCn1cc(C[NH2+][C@@H](CO)CNC(=O)c2ccn[nH]2)nn1 ZINC001448808535 891779708 /nfs/dbraw/zinc/77/97/08/891779708.db2.gz ADQYVLYFDAJDPO-SNVBAGLBSA-N 1 2 293.331 -1.098 20 0 CAADLO Cn1cc(C[NH2+][C@H](CO)CNC(=O)C[C@H]2CCCO2)nn1 ZINC001448815424 891779804 /nfs/dbraw/zinc/77/98/04/891779804.db2.gz JYUAIPCINNPNLB-NWDGAFQWSA-N 1 2 297.359 -1.049 20 0 CAADLO CC(=O)N[C@H](C)C(=O)NC[C@@H](CO)[NH2+]Cc1cnn(C)n1 ZINC001448808066 891780966 /nfs/dbraw/zinc/78/09/66/891780966.db2.gz KRKIKQUELOBTEY-KCJUWKMLSA-N 1 2 298.347 -2.094 20 0 CAADLO CC[C@H](C)C(=O)NC[C@H](CO)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001448814733 891781177 /nfs/dbraw/zinc/78/11/77/891781177.db2.gz JRTUCQGNIODNCA-DTWKUNHWSA-N 1 2 285.348 -1.279 20 0 CAADLO CC(=O)N(C)CC(=O)NC[C@H](CO)[NH2+]Cc1cn(C)nn1 ZINC001448809040 891781199 /nfs/dbraw/zinc/78/11/99/891781199.db2.gz BEEIFUZTFQOLKK-LLVKDONJSA-N 1 2 298.347 -2.140 20 0 CAADLO Cc1cc(C[NH2+][C@@H](CO)CNC(=O)Cn2cnnn2)no1 ZINC001448807804 891781288 /nfs/dbraw/zinc/78/12/88/891781288.db2.gz KOSPEGAVDMKVKR-SNVBAGLBSA-N 1 2 295.303 -1.764 20 0 CAADLO Cn1cnnc1C[NH2+][C@H](CO)CNC(=O)c1cnns1 ZINC001448816892 891781582 /nfs/dbraw/zinc/78/15/82/891781582.db2.gz MVJBQFJINXGYRP-ZETCQYMHSA-N 1 2 297.344 -1.453 20 0 CAADLO Cn1ncc(C[NH2+][C@H](CO)CNC(=O)[C@H]2CCC(=O)N2)n1 ZINC001448816992 891781623 /nfs/dbraw/zinc/78/16/23/891781623.db2.gz BFLFXOZQLFOAST-VHSXEESVSA-N 1 2 296.331 -2.340 20 0 CAADLO CCn1cc(C[NH2+][C@H](CO)CNC(=O)c2ccn[nH]2)nn1 ZINC001448808533 891781783 /nfs/dbraw/zinc/78/17/83/891781783.db2.gz ADQYVLYFDAJDPO-JTQLQIEISA-N 1 2 293.331 -1.098 20 0 CAADLO Cn1ncc(C[NH2+][C@@H](CO)CNC(=O)Cn2cccn2)n1 ZINC001448806983 891781821 /nfs/dbraw/zinc/78/18/21/891781821.db2.gz OOXMPMVJLFGBPY-LLVKDONJSA-N 1 2 293.331 -1.722 20 0 CAADLO CC(=O)N[C@H](C)C(=O)NC[C@H](CO)[NH2+]Cc1cnn(C)n1 ZINC001448808078 891782071 /nfs/dbraw/zinc/78/20/71/891782071.db2.gz KRKIKQUELOBTEY-LDYMZIIASA-N 1 2 298.347 -2.094 20 0 CAADLO CC[C@@H](C)C(=O)NC[C@@H](CO)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001448814728 891782525 /nfs/dbraw/zinc/78/25/25/891782525.db2.gz JRTUCQGNIODNCA-BDAKNGLRSA-N 1 2 285.348 -1.279 20 0 CAADLO Cn1[nH]c(C[NH2+][C@H](CO)CNC(=O)c2cc[nH]c2)nc1=O ZINC001448818314 891783593 /nfs/dbraw/zinc/78/35/93/891783593.db2.gz BRFCDQXSBUBSCG-VIFPVBQESA-N 1 2 294.315 -1.683 20 0 CAADLO Cn1cnnc1C[NH2+][C@@H](CO)CNC(=O)CC(C)(C)O ZINC001448818995 891784610 /nfs/dbraw/zinc/78/46/10/891784610.db2.gz AGKFFRZXNJMDMJ-SECBINFHSA-N 1 2 285.348 -1.457 20 0 CAADLO Cn1cnnc1C[NH2+][C@H](CO)CNC(=O)CC(C)(C)O ZINC001448819011 891784625 /nfs/dbraw/zinc/78/46/25/891784625.db2.gz AGKFFRZXNJMDMJ-VIFPVBQESA-N 1 2 285.348 -1.457 20 0 CAADLO CCC(=O)NCC(=O)NC[C@@H](CO)[NH2+]Cc1nnc(C)[nH]1 ZINC001448820697 891784811 /nfs/dbraw/zinc/78/48/11/891784811.db2.gz GSXSQTKWKNHPIQ-VIFPVBQESA-N 1 2 298.347 -1.794 20 0 CAADLO Cn1[nH]c(C[NH2+][C@@H](CO)CNC(=O)c2cc[nH]c2)nc1=O ZINC001448818288 891786185 /nfs/dbraw/zinc/78/61/85/891786185.db2.gz BRFCDQXSBUBSCG-SECBINFHSA-N 1 2 294.315 -1.683 20 0 CAADLO CC(C)OCC(=O)NC[C@H](CO)[NH2+]Cc1cn(C)nn1 ZINC001448827107 891787314 /nfs/dbraw/zinc/78/73/14/891787314.db2.gz LSIJSAGDJOHWCS-LLVKDONJSA-N 1 2 285.348 -1.193 20 0 CAADLO Cn1ncc(C[NH2+][C@H](CO)CNC(=O)c2ncc[nH]2)n1 ZINC001448832615 891787387 /nfs/dbraw/zinc/78/73/87/891787387.db2.gz MJLUMPWSNANBHW-VIFPVBQESA-N 1 2 279.304 -1.581 20 0 CAADLO Cn1cnc(C(=O)NC[C@@H](CO)[NH2+]Cc2nncn2C)n1 ZINC001448827394 891787870 /nfs/dbraw/zinc/78/78/70/891787870.db2.gz GDNBTDIDROIQMN-QMMMGPOBSA-N 1 2 294.319 -2.176 20 0 CAADLO CC(C)OCC(=O)NC[C@@H](CO)[NH2+]Cc1cn(C)nn1 ZINC001448827140 891788590 /nfs/dbraw/zinc/78/85/90/891788590.db2.gz LSIJSAGDJOHWCS-NSHDSACASA-N 1 2 285.348 -1.193 20 0 CAADLO Cn1ncc(C[NH2+][C@@H](CO)CNC(=O)C2=CCOCC2)n1 ZINC001448827678 891789417 /nfs/dbraw/zinc/78/94/17/891789417.db2.gz UWZVPQPQYWXWJF-GFCCVEGCSA-N 1 2 295.343 -1.272 20 0 CAADLO CO[C@@H](C(=O)NC[C@@H](CO)[NH2+]Cc1cnn(C)n1)C1CC1 ZINC001448837804 891791703 /nfs/dbraw/zinc/79/17/03/891791703.db2.gz XMOIQLJHIKYELV-NWDGAFQWSA-N 1 2 297.359 -1.193 20 0 CAADLO Cc1nnc(C[NH2+][C@H](CO)CNC(=O)Cc2cc[nH]n2)[nH]1 ZINC001448841731 891792691 /nfs/dbraw/zinc/79/26/91/891792691.db2.gz VKGZKSAATKUSKW-JTQLQIEISA-N 1 2 293.331 -1.354 20 0 CAADLO Cc1nccnc1C[NH2+][C@H](CO)CNC(=O)c1cn[nH]n1 ZINC001448868503 891798210 /nfs/dbraw/zinc/79/82/10/891798210.db2.gz VUILFAZKMZWDJV-VIFPVBQESA-N 1 2 291.315 -1.216 20 0 CAADLO Cc1nccnc1C[NH2+][C@H](CO)CNC(=O)c1cnn[nH]1 ZINC001448868503 891798219 /nfs/dbraw/zinc/79/82/19/891798219.db2.gz VUILFAZKMZWDJV-VIFPVBQESA-N 1 2 291.315 -1.216 20 0 CAADLO Cn1cc(C[NH2+][C@H](CO)CNC(=O)c2cnco2)nn1 ZINC001448877611 891799536 /nfs/dbraw/zinc/79/95/36/891799536.db2.gz QRRIUETXBBVEAX-VIFPVBQESA-N 1 2 280.288 -1.316 20 0 CAADLO Cn1cc(C[NH2+][C@@H](CO)CNC(=O)c2cnco2)nn1 ZINC001448877609 891799622 /nfs/dbraw/zinc/79/96/22/891799622.db2.gz QRRIUETXBBVEAX-SECBINFHSA-N 1 2 280.288 -1.316 20 0 CAADLO Cn1ncc(C[NH2+][C@@H](CO)CNC(=O)c2cnco2)n1 ZINC001448874664 891799636 /nfs/dbraw/zinc/79/96/36/891799636.db2.gz KZOQVKXEJYZMMH-SECBINFHSA-N 1 2 280.288 -1.316 20 0 CAADLO Cc1nccnc1C[NH2+][C@@H](CO)CNC(=O)c1cn[nH]n1 ZINC001448868500 891800473 /nfs/dbraw/zinc/80/04/73/891800473.db2.gz VUILFAZKMZWDJV-SECBINFHSA-N 1 2 291.315 -1.216 20 0 CAADLO Cc1nccnc1C[NH2+][C@@H](CO)CNC(=O)c1cnn[nH]1 ZINC001448868500 891800487 /nfs/dbraw/zinc/80/04/87/891800487.db2.gz VUILFAZKMZWDJV-SECBINFHSA-N 1 2 291.315 -1.216 20 0 CAADLO Cn1c(=O)[nH]cc1C(=O)NC[C@@H](CO)[NH2+]Cc1ccon1 ZINC001448888646 891802312 /nfs/dbraw/zinc/80/23/12/891802312.db2.gz NFKRJTWPWYBWIH-VIFPVBQESA-N 1 2 295.299 -1.006 20 0 CAADLO Cn1ncc(C[NH2+][C@@H](CO)CNC(=O)[C@@]2(C)CCOC2)n1 ZINC001448913356 891807270 /nfs/dbraw/zinc/80/72/70/891807270.db2.gz BOAAMRYFRWIHMF-YPMHNXCESA-N 1 2 297.359 -1.192 20 0 CAADLO Cn1cnnc1C[NH2+][C@@H](CO)CNC(=O)c1cccnn1 ZINC001448915221 891807449 /nfs/dbraw/zinc/80/74/49/891807449.db2.gz AMZVOPVIASYXJO-SECBINFHSA-N 1 2 291.315 -1.514 20 0 CAADLO Cn1cnnc1C[NH2+][C@H](CO)CNC(=O)c1cccnn1 ZINC001448915226 891807791 /nfs/dbraw/zinc/80/77/91/891807791.db2.gz AMZVOPVIASYXJO-VIFPVBQESA-N 1 2 291.315 -1.514 20 0 CAADLO Cn1ncc(C(=O)NC[C@H](CO)[NH2+]Cc2ncnn2C)n1 ZINC001448930817 891809553 /nfs/dbraw/zinc/80/95/53/891809553.db2.gz UMHOKOKYFMGBMX-MRVPVSSYSA-N 1 2 294.319 -2.176 20 0 CAADLO O=C(C[C@@H]1CCC(=O)N1)NC[C@H](CO)[NH2+]Cc1ccon1 ZINC001448918784 891809949 /nfs/dbraw/zinc/80/99/49/891809949.db2.gz GRQJCSWLJSUHAJ-GXSJLCMTSA-N 1 2 296.327 -1.090 20 0 CAADLO Cn1ncc(C[NH2+][C@@H](CO)CNC(=O)c2ccncn2)n1 ZINC001448923077 891810155 /nfs/dbraw/zinc/81/01/55/891810155.db2.gz NLBPPIGMWRLWIZ-SNVBAGLBSA-N 1 2 291.315 -1.514 20 0 CAADLO Cn1cnnc1C[NH2+][C@@H](CO)CNC(=O)Cc1ccc[nH]1 ZINC001448946481 891815956 /nfs/dbraw/zinc/81/59/56/891815956.db2.gz DPVOMFISQFLIOM-LLVKDONJSA-N 1 2 292.343 -1.047 20 0 CAADLO Cn1ncc(CN[C@@H](CO)CNC(=O)Cn2cc[nH+]c2)n1 ZINC001448948222 891816187 /nfs/dbraw/zinc/81/61/87/891816187.db2.gz ALZYWNVDTWSYPZ-LLVKDONJSA-N 1 2 293.331 -1.722 20 0 CAADLO Cc1nc(C[NH2+][C@@H](CO)CNC(=O)Cn2cncn2)co1 ZINC001448958881 891816671 /nfs/dbraw/zinc/81/66/71/891816671.db2.gz ZJJHNGQKLRFASE-SNVBAGLBSA-N 1 2 294.315 -1.159 20 0 CAADLO CC(=O)NCC(=O)N(C)CCNC(=O)Cc1c[nH+]cn1C ZINC001449053047 891820095 /nfs/dbraw/zinc/82/00/95/891820095.db2.gz UVCIJKYOENNKQQ-UHFFFAOYSA-N 1 2 295.343 -1.327 20 0 CAADLO CC(C)N(CC[N@H+](C)CC(N)=O)C(=O)[C@H]1COC(=O)N1 ZINC001449251873 891840841 /nfs/dbraw/zinc/84/08/41/891840841.db2.gz IQWVBDORYZXECB-SECBINFHSA-N 1 2 286.332 -1.251 20 0 CAADLO CC(C)N(CC[N@@H+](C)CC(N)=O)C(=O)[C@H]1COC(=O)N1 ZINC001449251873 891840850 /nfs/dbraw/zinc/84/08/50/891840850.db2.gz IQWVBDORYZXECB-SECBINFHSA-N 1 2 286.332 -1.251 20 0 CAADLO CC(C)N(CC[N@H+](C)CC(N)=O)C(=O)[C@@H]1COC(=O)N1 ZINC001449251874 891842765 /nfs/dbraw/zinc/84/27/65/891842765.db2.gz IQWVBDORYZXECB-VIFPVBQESA-N 1 2 286.332 -1.251 20 0 CAADLO CC(C)N(CC[N@@H+](C)CC(N)=O)C(=O)[C@@H]1COC(=O)N1 ZINC001449251874 891842777 /nfs/dbraw/zinc/84/27/77/891842777.db2.gz IQWVBDORYZXECB-VIFPVBQESA-N 1 2 286.332 -1.251 20 0 CAADLO C[C@@H](C(N)=O)[N@H+](C)C[C@@H](O)CN(C)C(=O)Cc1ccn[nH]1 ZINC001449192770 891844331 /nfs/dbraw/zinc/84/43/31/891844331.db2.gz VGMJZURZNCEVLY-GXSJLCMTSA-N 1 2 297.359 -1.423 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+](C)C[C@@H](O)CN(C)C(=O)Cc1ccn[nH]1 ZINC001449192770 891844338 /nfs/dbraw/zinc/84/43/38/891844338.db2.gz VGMJZURZNCEVLY-GXSJLCMTSA-N 1 2 297.359 -1.423 20 0 CAADLO CNC(=O)C[N@H+](CCNC(=O)c1ccn(C)n1)CCOC ZINC001449343356 891847250 /nfs/dbraw/zinc/84/72/50/891847250.db2.gz KHQWQUFPGDAZDF-UHFFFAOYSA-N 1 2 297.359 -1.156 20 0 CAADLO CNC(=O)C[N@@H+](CCNC(=O)c1ccn(C)n1)CCOC ZINC001449343356 891847262 /nfs/dbraw/zinc/84/72/62/891847262.db2.gz KHQWQUFPGDAZDF-UHFFFAOYSA-N 1 2 297.359 -1.156 20 0 CAADLO COCC[N@H+](CCNC(=O)[C@H]1CCOC1)CC(N)=O ZINC001449323946 891847452 /nfs/dbraw/zinc/84/74/52/891847452.db2.gz HOXVKLSJKKOLRD-JTQLQIEISA-N 1 2 273.333 -1.427 20 0 CAADLO COCC[N@@H+](CCNC(=O)[C@H]1CCOC1)CC(N)=O ZINC001449323946 891847458 /nfs/dbraw/zinc/84/74/58/891847458.db2.gz HOXVKLSJKKOLRD-JTQLQIEISA-N 1 2 273.333 -1.427 20 0 CAADLO COCC[N@H+](CCNC(=O)c1cn(C)cn1)CC(N)=O ZINC001449328370 891847488 /nfs/dbraw/zinc/84/74/88/891847488.db2.gz PWGQEYRNWJRHEW-UHFFFAOYSA-N 1 2 283.332 -1.416 20 0 CAADLO COCC[N@@H+](CCNC(=O)c1cn(C)cn1)CC(N)=O ZINC001449328370 891847497 /nfs/dbraw/zinc/84/74/97/891847497.db2.gz PWGQEYRNWJRHEW-UHFFFAOYSA-N 1 2 283.332 -1.416 20 0 CAADLO COCC[N@H+](CCNC(=O)[C@@H]1CCOC1)CC(N)=O ZINC001449323948 891848752 /nfs/dbraw/zinc/84/87/52/891848752.db2.gz HOXVKLSJKKOLRD-SNVBAGLBSA-N 1 2 273.333 -1.427 20 0 CAADLO COCC[N@@H+](CCNC(=O)[C@@H]1CCOC1)CC(N)=O ZINC001449323948 891848756 /nfs/dbraw/zinc/84/87/56/891848756.db2.gz HOXVKLSJKKOLRD-SNVBAGLBSA-N 1 2 273.333 -1.427 20 0 CAADLO COCC[N@H+](CCNC(=O)c1[nH]cnc1C)CC(N)=O ZINC001449345045 891849082 /nfs/dbraw/zinc/84/90/82/891849082.db2.gz MKWDPZCZZTVGKH-UHFFFAOYSA-N 1 2 283.332 -1.118 20 0 CAADLO COCC[N@@H+](CCNC(=O)c1[nH]cnc1C)CC(N)=O ZINC001449345045 891849091 /nfs/dbraw/zinc/84/90/91/891849091.db2.gz MKWDPZCZZTVGKH-UHFFFAOYSA-N 1 2 283.332 -1.118 20 0 CAADLO CN(CCNC(=O)Cc1c[nH]c[nH+]1)C(=O)c1nc[nH]n1 ZINC001449273951 891849719 /nfs/dbraw/zinc/84/97/19/891849719.db2.gz VHNRBGTUPOSVFG-UHFFFAOYSA-N 1 2 277.288 -1.041 20 0 CAADLO COCC[N@H+](CCO)CCNC(=O)C1CS(=O)(=O)C1 ZINC001449334279 891849972 /nfs/dbraw/zinc/84/99/72/891849972.db2.gz YVUGORGWUHJWOM-UHFFFAOYSA-N 1 2 294.373 -1.912 20 0 CAADLO COCC[N@@H+](CCO)CCNC(=O)C1CS(=O)(=O)C1 ZINC001449334279 891849990 /nfs/dbraw/zinc/84/99/90/891849990.db2.gz YVUGORGWUHJWOM-UHFFFAOYSA-N 1 2 294.373 -1.912 20 0 CAADLO COCC[N@H+](CCNC(=O)c1c[nH]c(=O)n1C)CC(N)=O ZINC001449337032 891850032 /nfs/dbraw/zinc/85/00/32/891850032.db2.gz JSPRASIDNMOWKU-UHFFFAOYSA-N 1 2 299.331 -1.711 20 0 CAADLO COCC[N@@H+](CCNC(=O)c1c[nH]c(=O)n1C)CC(N)=O ZINC001449337032 891850050 /nfs/dbraw/zinc/85/00/50/891850050.db2.gz JSPRASIDNMOWKU-UHFFFAOYSA-N 1 2 299.331 -1.711 20 0 CAADLO CC(=O)NCC(=O)N(C)[C@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001449984492 891859653 /nfs/dbraw/zinc/85/96/53/891859653.db2.gz REEKRTAXTQVBPD-SNVBAGLBSA-N 1 2 295.343 -1.018 20 0 CAADLO CC(=O)NCC(=O)N1CC(NC(=O)Cc2c[nH+]cn2C)C1 ZINC001450441411 891872582 /nfs/dbraw/zinc/87/25/82/891872582.db2.gz AVLSNLKMWXTJRD-UHFFFAOYSA-N 1 2 293.327 -1.574 20 0 CAADLO NC(=O)N[C@@H](CO)C(=O)N1CCn2c[nH+]cc2C1 ZINC001450723536 891879253 /nfs/dbraw/zinc/87/92/53/891879253.db2.gz XDUQUCKBHMFYKE-QMMMGPOBSA-N 1 2 253.262 -1.746 20 0 CAADLO COC[C@@H](C)C(=O)NC[C@@H](CO)NC(=O)Cn1cc[nH+]c1 ZINC001451345359 891899584 /nfs/dbraw/zinc/89/95/84/891899584.db2.gz VDEIHEWACHGXRE-MNOVXSKESA-N 1 2 298.343 -1.241 20 0 CAADLO CO[C@@H](C)C(=O)NC[C@@H](CO)NC(=O)Cn1cc[nH+]c1 ZINC001451349934 891902598 /nfs/dbraw/zinc/90/25/98/891902598.db2.gz XLEVMKIFZYEGCK-UWVGGRQHSA-N 1 2 284.316 -1.489 20 0 CAADLO CC[C@@H](OC)C(=O)N[C@@H](CO)CNC(=O)Cn1cc[nH+]c1 ZINC001451428333 891908237 /nfs/dbraw/zinc/90/82/37/891908237.db2.gz QMERROIPPYJFKO-GHMZBOCLSA-N 1 2 298.343 -1.099 20 0 CAADLO CO[C@H](C)C(=O)N[C@@H](CO)CNC(=O)Cn1cc[nH+]c1 ZINC001451427864 891909106 /nfs/dbraw/zinc/90/91/06/891909106.db2.gz OWEDSUMJDZAJFC-NXEZZACHSA-N 1 2 284.316 -1.489 20 0 CAADLO O=C(Cn1cc[nH+]c1)NC[C@H](CO)NC(=O)c1cnco1 ZINC001451425438 891909350 /nfs/dbraw/zinc/90/93/50/891909350.db2.gz KEEHGXQCYYQXBD-SECBINFHSA-N 1 2 293.283 -1.222 20 0 CAADLO O=C(Cn1cc[nH+]c1)NC[C@@H](CO)NC(=O)C(F)F ZINC001451424627 891910750 /nfs/dbraw/zinc/91/07/50/891910750.db2.gz IHNQWSQSMACGDT-ZETCQYMHSA-N 1 2 276.243 -1.259 20 0 CAADLO CC[C@@H](OC)C(=O)N[C@H](CO)CNC(=O)Cn1cc[nH+]c1 ZINC001451428346 891910791 /nfs/dbraw/zinc/91/07/91/891910791.db2.gz QMERROIPPYJFKO-WDEREUQCSA-N 1 2 298.343 -1.099 20 0 CAADLO O=C(Cc1c[nH]c[nH+]1)NC[C@H](CO)NC(=O)[C@@H]1CCOC1 ZINC001451601068 891919041 /nfs/dbraw/zinc/91/90/41/891919041.db2.gz HGBFAVPWTQXSNW-MWLCHTKSSA-N 1 2 296.327 -1.418 20 0 CAADLO O=C(Cc1c[nH]c[nH+]1)NC[C@H](CO)NC(=O)[C@H]1CCOC1 ZINC001451601047 891921002 /nfs/dbraw/zinc/92/10/02/891921002.db2.gz HGBFAVPWTQXSNW-GXSJLCMTSA-N 1 2 296.327 -1.418 20 0 CAADLO COCCC(=O)NC[C@H](O)CN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001451919259 891928948 /nfs/dbraw/zinc/92/89/48/891928948.db2.gz NYVOXTYQEDEWHS-JTQLQIEISA-N 1 2 298.343 -1.076 20 0 CAADLO COCC(=O)NC[C@H](O)CNC(=O)Cc1c[nH+]cn1C ZINC001452235149 891939035 /nfs/dbraw/zinc/93/90/35/891939035.db2.gz QYXIRSIXKJNAFY-SNVBAGLBSA-N 1 2 284.316 -1.798 20 0 CAADLO COCC(=O)NC[C@H](O)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001452228076 891940023 /nfs/dbraw/zinc/94/00/23/891940023.db2.gz HSNULANEWUKGSL-SECBINFHSA-N 1 2 270.289 -1.808 20 0 CAADLO COCC(=O)NC[C@@H](O)CNC(=O)Cc1c[nH+]cn1C ZINC001452235147 891940365 /nfs/dbraw/zinc/94/03/65/891940365.db2.gz QYXIRSIXKJNAFY-JTQLQIEISA-N 1 2 284.316 -1.798 20 0 CAADLO COCC(=O)NC[C@@H](O)CNC(=O)CCc1c[nH+]cn1C ZINC001452241005 891940636 /nfs/dbraw/zinc/94/06/36/891940636.db2.gz XLZBVSIJRNAFIC-NSHDSACASA-N 1 2 298.343 -1.408 20 0 CAADLO CO[C@H](C)C(=O)NC[C@@H](O)CNC(=O)Cc1c[nH+]cn1C ZINC001452288145 891941851 /nfs/dbraw/zinc/94/18/51/891941851.db2.gz RPAQOCMRTWPWRU-KOLCDFICSA-N 1 2 298.343 -1.409 20 0 CAADLO CO[C@H](C)C(=O)NC[C@H](O)CNC(=O)Cc1c[nH+]cn1C ZINC001452288157 891941941 /nfs/dbraw/zinc/94/19/41/891941941.db2.gz RPAQOCMRTWPWRU-MWLCHTKSSA-N 1 2 298.343 -1.409 20 0 CAADLO CO[C@@H](C)C(=O)NC[C@@H](O)CNC(=O)Cc1c[nH+]cn1C ZINC001452288170 891944301 /nfs/dbraw/zinc/94/43/01/891944301.db2.gz RPAQOCMRTWPWRU-ONGXEEELSA-N 1 2 298.343 -1.409 20 0 CAADLO O=C(Cc1[nH]cc[nH+]1)NC[C@H](O)CNC(=O)[C@H]1CCOC1 ZINC001452307888 891946928 /nfs/dbraw/zinc/94/69/28/891946928.db2.gz PJRWULGNSCSZNN-UWVGGRQHSA-N 1 2 296.327 -1.418 20 0 CAADLO COCC(=O)N[C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@@H]1O ZINC001452741407 891960741 /nfs/dbraw/zinc/96/07/41/891960741.db2.gz URPJASCMLHSASS-MNOVXSKESA-N 1 2 296.327 -1.405 20 0 CAADLO CCOCC(=O)N[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1O ZINC001452734991 891961017 /nfs/dbraw/zinc/96/10/17/891961017.db2.gz CNBSXVDKGIKVFS-MNOVXSKESA-N 1 2 296.327 -1.393 20 0 CAADLO COCC(=O)N1C[C@@H](NC(=O)CCn2cc[nH+]c2)[C@@H](O)C1 ZINC001452763026 891961108 /nfs/dbraw/zinc/96/11/08/891961108.db2.gz QFOQCTKWSBDSMP-MNOVXSKESA-N 1 2 296.327 -1.393 20 0 CAADLO NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)CCc1[nH]cc[nH+]1 ZINC001453438652 891976891 /nfs/dbraw/zinc/97/68/91/891976891.db2.gz MFPMVANYDTXRKU-SFYZADRCSA-N 1 2 252.274 -1.211 20 0 CAADLO C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)CCC(N)=O ZINC001453597359 891978992 /nfs/dbraw/zinc/97/89/92/891978992.db2.gz NYXLCHYPHXLJJM-AWEZNQCLSA-N 1 2 299.371 -1.016 20 0 CAADLO C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)CCC(N)=O ZINC001453597359 891979001 /nfs/dbraw/zinc/97/90/01/891979001.db2.gz NYXLCHYPHXLJJM-AWEZNQCLSA-N 1 2 299.371 -1.016 20 0 CAADLO CC(=O)NCC(=O)N1CC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001454013126 891986286 /nfs/dbraw/zinc/98/62/86/891986286.db2.gz UWNJUUNOXWSRLD-LLVKDONJSA-N 1 2 293.327 -1.264 20 0 CAADLO Cn1cnn(CC(=O)N[C@H](CO)c2c[nH+]cn2C)c1=O ZINC001454166996 891988354 /nfs/dbraw/zinc/98/83/54/891988354.db2.gz MBVIHHOEFZXKJP-MRVPVSSYSA-N 1 2 280.288 -1.835 20 0 CAADLO Cn1cc[nH+]c1CCC(=O)N1C[C@H](C(N)=O)[C@H](C(N)=O)C1 ZINC001454157528 891989148 /nfs/dbraw/zinc/98/91/48/891989148.db2.gz DREUVGAWFQDMKN-DTORHVGOSA-N 1 2 293.327 -1.602 20 0 CAADLO Cn1cc[nH+]c1CCC(=O)N1C[C@@H](C(N)=O)[C@H](C(N)=O)C1 ZINC001454157664 891990833 /nfs/dbraw/zinc/99/08/33/891990833.db2.gz DREUVGAWFQDMKN-RKDXNWHRSA-N 1 2 293.327 -1.602 20 0 CAADLO CC(C)(C(=O)N1C[C@H](C(N)=O)[C@@H](C(N)=O)C1)c1c[nH+]c[nH]1 ZINC001454168150 891993163 /nfs/dbraw/zinc/99/31/63/891993163.db2.gz OIHQGNFMWZBZJY-YUMQZZPRSA-N 1 2 293.327 -1.268 20 0 CAADLO Cn1c[nH+]cc1CCC(=O)N1C[C@H](C(N)=O)[C@@H](C(N)=O)C1 ZINC001454170576 891994199 /nfs/dbraw/zinc/99/41/99/891994199.db2.gz RAYZUXPNILKDLV-UWVGGRQHSA-N 1 2 293.327 -1.602 20 0 CAADLO CC(=O)NCC(=O)N[C@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001454355404 892001223 /nfs/dbraw/zinc/00/12/23/892001223.db2.gz ZFDZJULJUIXJNL-PHIMTYICSA-N 1 2 293.327 -1.217 20 0 CAADLO O=C(CC[N@@H+]1CC[C@H](F)C1)N[C@@H]1CS(=O)(=O)C[C@H]1O ZINC001454436245 892004842 /nfs/dbraw/zinc/00/48/42/892004842.db2.gz YYTHPUVTIGQJMZ-IVZWLZJFSA-N 1 2 294.348 -1.306 20 0 CAADLO O=C(CC[N@H+]1CC[C@H](F)C1)N[C@@H]1CS(=O)(=O)C[C@H]1O ZINC001454436245 892004857 /nfs/dbraw/zinc/00/48/57/892004857.db2.gz YYTHPUVTIGQJMZ-IVZWLZJFSA-N 1 2 294.348 -1.306 20 0 CAADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1CS(=O)(=O)C[C@H]1O ZINC001454428635 892005043 /nfs/dbraw/zinc/00/50/43/892005043.db2.gz DQCWJQTXYMIBPW-SZEHBUNVSA-N 1 2 287.341 -1.138 20 0 CAADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1CS(=O)(=O)C[C@H]1O ZINC001454428635 892005055 /nfs/dbraw/zinc/00/50/55/892005055.db2.gz DQCWJQTXYMIBPW-SZEHBUNVSA-N 1 2 287.341 -1.138 20 0 CAADLO CCn1cc(CC(=O)N2CC[N@H+](C)[C@H](CO)C2)nn1 ZINC001454663125 892015353 /nfs/dbraw/zinc/01/53/53/892015353.db2.gz MPZRPBNGQNAOEN-NSHDSACASA-N 1 2 267.333 -1.025 20 0 CAADLO CCn1cc(CC(=O)N2CC[N@@H+](C)[C@H](CO)C2)nn1 ZINC001454663125 892015365 /nfs/dbraw/zinc/01/53/65/892015365.db2.gz MPZRPBNGQNAOEN-NSHDSACASA-N 1 2 267.333 -1.025 20 0 CAADLO O=C(N[C@H](CO)Cc1c[nH]c[nH+]1)C1(O)CCOCC1 ZINC001455029085 892020508 /nfs/dbraw/zinc/02/05/08/892020508.db2.gz VWFKVQBVQMIQIR-JTQLQIEISA-N 1 2 269.301 -1.029 20 0 CAADLO O=C(N[C@H](CO)Cc1c[nH+]c[nH]1)C1(O)CCOCC1 ZINC001455029085 892020522 /nfs/dbraw/zinc/02/05/22/892020522.db2.gz VWFKVQBVQMIQIR-JTQLQIEISA-N 1 2 269.301 -1.029 20 0 CAADLO CN1C[C@H](C(=O)N[C@H](CO)Cc2c[nH]c[nH+]2)CC1=O ZINC001455028106 892021216 /nfs/dbraw/zinc/02/12/16/892021216.db2.gz UHMWRBKFUDSOPE-SCZZXKLOSA-N 1 2 266.301 -1.092 20 0 CAADLO CN1C[C@H](C(=O)N[C@H](CO)Cc2c[nH+]c[nH]2)CC1=O ZINC001455028106 892021233 /nfs/dbraw/zinc/02/12/33/892021233.db2.gz UHMWRBKFUDSOPE-SCZZXKLOSA-N 1 2 266.301 -1.092 20 0 CAADLO CS(=O)(=O)CCC(=O)N[C@H](CO)Cc1c[nH]c[nH+]1 ZINC001455027107 892021859 /nfs/dbraw/zinc/02/18/59/892021859.db2.gz QKRPOBGCYVYMFQ-VIFPVBQESA-N 1 2 275.330 -1.136 20 0 CAADLO CS(=O)(=O)CCC(=O)N[C@H](CO)Cc1c[nH+]c[nH]1 ZINC001455027107 892021875 /nfs/dbraw/zinc/02/18/75/892021875.db2.gz QKRPOBGCYVYMFQ-VIFPVBQESA-N 1 2 275.330 -1.136 20 0 CAADLO O=C(N[C@H](CO)Cc1c[nH]c[nH+]1)C1(n2cnnn2)CC1 ZINC001455024797 892022465 /nfs/dbraw/zinc/02/24/65/892022465.db2.gz HQUTWGQCUKPZBV-VIFPVBQESA-N 1 2 277.288 -1.395 20 0 CAADLO O=C(N[C@H](CO)Cc1c[nH+]c[nH]1)C1(n2cnnn2)CC1 ZINC001455024797 892022481 /nfs/dbraw/zinc/02/24/81/892022481.db2.gz HQUTWGQCUKPZBV-VIFPVBQESA-N 1 2 277.288 -1.395 20 0 CAADLO O=C(CCN1C(=O)CCC1=O)N[C@H](CO)Cc1c[nH]c[nH+]1 ZINC001455029122 892023514 /nfs/dbraw/zinc/02/35/14/892023514.db2.gz WAZUJNRCBRFCJW-JTQLQIEISA-N 1 2 294.311 -1.032 20 0 CAADLO O=C(CCN1C(=O)CCC1=O)N[C@H](CO)Cc1c[nH+]c[nH]1 ZINC001455029122 892023527 /nfs/dbraw/zinc/02/35/27/892023527.db2.gz WAZUJNRCBRFCJW-JTQLQIEISA-N 1 2 294.311 -1.032 20 0 CAADLO CC(=O)NCC(=O)NCC(=O)N[C@H](CO)Cc1c[nH]c[nH+]1 ZINC001455029333 892023991 /nfs/dbraw/zinc/02/39/91/892023991.db2.gz XDERSJAOFISENV-JTQLQIEISA-N 1 2 297.315 -2.318 20 0 CAADLO CC(=O)NCC(=O)NCC(=O)N[C@H](CO)Cc1c[nH+]c[nH]1 ZINC001455029333 892024009 /nfs/dbraw/zinc/02/40/09/892024009.db2.gz XDERSJAOFISENV-JTQLQIEISA-N 1 2 297.315 -2.318 20 0 CAADLO NS(=O)(=O)N1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001455224051 892031975 /nfs/dbraw/zinc/03/19/75/892031975.db2.gz RTARLWLSJCJCCW-UHFFFAOYSA-N 1 2 273.318 -1.700 20 0 CAADLO CN(CCNC(=O)[C@H]1COC(=O)N1)C(=O)Cn1cc[nH+]c1 ZINC001455220802 892033160 /nfs/dbraw/zinc/03/31/60/892033160.db2.gz IDXINARJQISNMS-SECBINFHSA-N 1 2 295.299 -1.434 20 0 CAADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)Cn1cnnn1 ZINC001455319537 892035756 /nfs/dbraw/zinc/03/57/56/892035756.db2.gz FBKUMIJOWRJATH-QMMMGPOBSA-N 1 2 278.276 -2.130 20 0 CAADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)Cn1cnnn1 ZINC001455319537 892035772 /nfs/dbraw/zinc/03/57/72/892035772.db2.gz FBKUMIJOWRJATH-QMMMGPOBSA-N 1 2 278.276 -2.130 20 0 CAADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C(C)(C)O ZINC001455320648 892036045 /nfs/dbraw/zinc/03/60/45/892036045.db2.gz AWCCGUQFYJPCNB-QMMMGPOBSA-N 1 2 254.290 -1.046 20 0 CAADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C(C)(C)O ZINC001455320648 892036064 /nfs/dbraw/zinc/03/60/64/892036064.db2.gz AWCCGUQFYJPCNB-QMMMGPOBSA-N 1 2 254.290 -1.046 20 0 CAADLO CN(CCNC(=O)Cn1cc[nH+]c1)C(=O)[C@@H]1CCC(=O)N1 ZINC001455314682 892036358 /nfs/dbraw/zinc/03/63/58/892036358.db2.gz HTHBYWCGSHORLZ-JTQLQIEISA-N 1 2 293.327 -1.264 20 0 CAADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C1(C(=O)NC)CC1 ZINC001455320681 892037086 /nfs/dbraw/zinc/03/70/86/892037086.db2.gz BRJNIRYJWDXMIB-VIFPVBQESA-N 1 2 293.327 -1.291 20 0 CAADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C1(C(=O)NC)CC1 ZINC001455320681 892037101 /nfs/dbraw/zinc/03/71/01/892037101.db2.gz BRJNIRYJWDXMIB-VIFPVBQESA-N 1 2 293.327 -1.291 20 0 CAADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CCCC(N)=O ZINC001455323941 892037524 /nfs/dbraw/zinc/03/75/24/892037524.db2.gz SARQERXFMIKUEK-VIFPVBQESA-N 1 2 281.316 -1.161 20 0 CAADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CCCC(N)=O ZINC001455323941 892037543 /nfs/dbraw/zinc/03/75/43/892037543.db2.gz SARQERXFMIKUEK-VIFPVBQESA-N 1 2 281.316 -1.161 20 0 CAADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H]1CCC(=O)N1C ZINC001455322768 892038054 /nfs/dbraw/zinc/03/80/54/892038054.db2.gz NQOQCPKDVCTFKM-UWVGGRQHSA-N 1 2 293.327 -1.196 20 0 CAADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H]1CCC(=O)N1C ZINC001455322768 892038072 /nfs/dbraw/zinc/03/80/72/892038072.db2.gz NQOQCPKDVCTFKM-UWVGGRQHSA-N 1 2 293.327 -1.196 20 0 CAADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1cn(C)nn1 ZINC001455325830 892038122 /nfs/dbraw/zinc/03/81/22/892038122.db2.gz YHNLUSPUPVUXEO-QMMMGPOBSA-N 1 2 277.288 -1.375 20 0 CAADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1cn(C)nn1 ZINC001455325830 892038136 /nfs/dbraw/zinc/03/81/36/892038136.db2.gz YHNLUSPUPVUXEO-QMMMGPOBSA-N 1 2 277.288 -1.375 20 0 CAADLO CCN(CCNC(=O)Cc1[nH]cc[nH+]1)C(=O)CNC(N)=O ZINC001455658218 892047470 /nfs/dbraw/zinc/04/74/70/892047470.db2.gz CEXQKENJAZDGER-UHFFFAOYSA-N 1 2 296.331 -1.415 20 0 CAADLO C[N@H+](CCO)CCNC(=O)C[C@@H]1SC(=N)NC1=O ZINC001455781168 892058289 /nfs/dbraw/zinc/05/82/89/892058289.db2.gz MJJIBYCVNBOXGJ-ZETCQYMHSA-N 1 2 274.346 -1.417 20 0 CAADLO C[N@@H+](CCO)CCNC(=O)C[C@@H]1SC(=N)NC1=O ZINC001455781168 892058303 /nfs/dbraw/zinc/05/83/03/892058303.db2.gz MJJIBYCVNBOXGJ-ZETCQYMHSA-N 1 2 274.346 -1.417 20 0 CAADLO C[N@H+](CCO)CCNC(=O)C[C@H]1SC(=N)NC1=O ZINC001455781152 892056586 /nfs/dbraw/zinc/05/65/86/892056586.db2.gz MJJIBYCVNBOXGJ-SSDOTTSWSA-N 1 2 274.346 -1.417 20 0 CAADLO C[N@@H+](CCO)CCNC(=O)C[C@H]1SC(=N)NC1=O ZINC001455781152 892056602 /nfs/dbraw/zinc/05/66/02/892056602.db2.gz MJJIBYCVNBOXGJ-SSDOTTSWSA-N 1 2 274.346 -1.417 20 0 CAADLO CNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2CC(=O)N2)CC1 ZINC001456041698 892059535 /nfs/dbraw/zinc/05/95/35/892059535.db2.gz SXWGYCXMCJFOOI-VIFPVBQESA-N 1 2 268.317 -1.845 20 0 CAADLO CNC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2CC(=O)N2)CC1 ZINC001456041698 892059543 /nfs/dbraw/zinc/05/95/43/892059543.db2.gz SXWGYCXMCJFOOI-VIFPVBQESA-N 1 2 268.317 -1.845 20 0 CAADLO CC(=O)N1CC[NH+](CCN(C)C(=O)Cn2ncnn2)CC1 ZINC001456066655 892063291 /nfs/dbraw/zinc/06/32/91/892063291.db2.gz XEKJFHXZCLVBEC-UHFFFAOYSA-N 1 2 295.347 -1.704 20 0 CAADLO CC(=O)NCC(=O)NC1CN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001456207704 892064089 /nfs/dbraw/zinc/06/40/89/892064089.db2.gz LUXPBATYSHPLJR-UHFFFAOYSA-N 1 2 293.327 -1.574 20 0 CAADLO C[C@@H](CC(N)=O)C(=O)N1CC(NC(=O)Cn2cc[nH+]c2)C1 ZINC001456320941 892070795 /nfs/dbraw/zinc/07/07/95/892070795.db2.gz ZUMPEZXCCOODLJ-VIFPVBQESA-N 1 2 293.327 -1.278 20 0 CAADLO COC(=O)COCC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)OC ZINC001456310935 892071496 /nfs/dbraw/zinc/07/14/96/892071496.db2.gz NCAZOUSHFMKCCE-SECBINFHSA-N 1 2 299.283 -1.200 20 0 CAADLO COC(=O)COCC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)OC ZINC001456310935 892071517 /nfs/dbraw/zinc/07/15/17/892071517.db2.gz NCAZOUSHFMKCCE-SECBINFHSA-N 1 2 299.283 -1.200 20 0 CAADLO CNC(=O)NCC(=O)N1CC(NC(=O)Cn2cc[nH+]c2)C1 ZINC001456318666 892073348 /nfs/dbraw/zinc/07/33/48/892073348.db2.gz OCVUDAQKEPIQLC-UHFFFAOYSA-N 1 2 294.315 -1.861 20 0 CAADLO CCC(=O)NCC(=O)N1CC(NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001456369437 892077321 /nfs/dbraw/zinc/07/73/21/892077321.db2.gz YZEDGRRGVVNWGT-UHFFFAOYSA-N 1 2 293.327 -1.195 20 0 CAADLO CC[C@@H](CNC(=O)Cn1cc[nH+]c1)NC(=O)CNC(N)=O ZINC001456841033 892087069 /nfs/dbraw/zinc/08/70/69/892087069.db2.gz GTYVZSYNQLASTG-VIFPVBQESA-N 1 2 296.331 -1.438 20 0 CAADLO O=C(NC[C@H]1C[NH+]2CCN1CC2)c1ns[nH]c1=O ZINC001457715069 892099206 /nfs/dbraw/zinc/09/92/06/892099206.db2.gz CCUWGMAEHOUCDN-ZETCQYMHSA-N 1 2 269.330 -1.027 20 0 CAADLO O=C(Cn1ncnn1)NC[C@H]1C[NH+]2CCN1CC2 ZINC001457711065 892099708 /nfs/dbraw/zinc/09/97/08/892099708.db2.gz MFKTULOMGLKGFT-VIFPVBQESA-N 1 2 251.294 -2.211 20 0 CAADLO O=C(NC[C@@H]1C[NH+]2CCN1CC2)c1ns[nH]c1=O ZINC001457715066 892100150 /nfs/dbraw/zinc/10/01/50/892100150.db2.gz CCUWGMAEHOUCDN-SSDOTTSWSA-N 1 2 269.330 -1.027 20 0 CAADLO CO[C@@H](C)C(=O)NC[C@H](O)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001457923699 892107969 /nfs/dbraw/zinc/10/79/69/892107969.db2.gz CRYUADCYPXQPNA-WCBMZHEXSA-N 1 2 284.316 -1.420 20 0 CAADLO CCOCC(=O)NC[C@H](O)CNC(=O)Cc1c[nH+]cn1C ZINC001457900891 892108200 /nfs/dbraw/zinc/10/82/00/892108200.db2.gz DXKIUOYIOWKXNE-LLVKDONJSA-N 1 2 298.343 -1.408 20 0 CAADLO O=C(Cc1[nH]cc[nH+]1)NC[C@@H](O)CNC(=O)[C@@H]1CCCO1 ZINC001457920615 892108607 /nfs/dbraw/zinc/10/86/07/892108607.db2.gz VYOHHSIOUWFAQE-ZJUUUORDSA-N 1 2 296.327 -1.276 20 0 CAADLO O=C(Cc1[nH]cc[nH+]1)NC[C@H](O)CNC(=O)[C@H]1CCCO1 ZINC001457920611 892109125 /nfs/dbraw/zinc/10/91/25/892109125.db2.gz VYOHHSIOUWFAQE-VHSXEESVSA-N 1 2 296.327 -1.276 20 0 CAADLO O=C(Cc1[nH]cc[nH+]1)NC[C@H](O)CNC(=O)c1ccn[nH]1 ZINC001457912695 892109423 /nfs/dbraw/zinc/10/94/23/892109423.db2.gz GMYPSAIIQUMKFX-QMMMGPOBSA-N 1 2 292.299 -1.418 20 0 CAADLO O=C(Cc1[nH]cc[nH+]1)NC[C@@H](O)CNC(=O)c1ccn[nH]1 ZINC001457912685 892110041 /nfs/dbraw/zinc/11/00/41/892110041.db2.gz GMYPSAIIQUMKFX-MRVPVSSYSA-N 1 2 292.299 -1.418 20 0 CAADLO O=C(Cc1[nH]cc[nH+]1)NC[C@H](O)CNC(=O)c1ccon1 ZINC001457932767 892111437 /nfs/dbraw/zinc/11/14/37/892111437.db2.gz UJKHQGQPIUBJAB-QMMMGPOBSA-N 1 2 293.283 -1.153 20 0 CAADLO COC[C@H](C)C(=O)NC[C@H](O)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001457946762 892112494 /nfs/dbraw/zinc/11/24/94/892112494.db2.gz UBJDIECQIRIFTB-GXSJLCMTSA-N 1 2 298.343 -1.172 20 0 CAADLO COCC(=O)NC[C@H](O)CNC(=O)CCc1[nH]cc[nH+]1 ZINC001457987220 892114226 /nfs/dbraw/zinc/11/42/26/892114226.db2.gz WMQGRPOTIQUBIT-SECBINFHSA-N 1 2 284.316 -1.418 20 0 CAADLO COCC(=O)NC[C@@H](O)CNC(=O)CCc1[nH]cc[nH+]1 ZINC001457987237 892116326 /nfs/dbraw/zinc/11/63/26/892116326.db2.gz WMQGRPOTIQUBIT-VIFPVBQESA-N 1 2 284.316 -1.418 20 0 CAADLO CC(=O)NCC(=O)NC[C@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001458559970 892123262 /nfs/dbraw/zinc/12/32/62/892123262.db2.gz DMIGEWIQCDFFIE-QMMMGPOBSA-N 1 2 281.316 -1.291 20 0 CAADLO CC(=O)NCC(=O)NCC1(NC(=O)Cn2cc[nH+]c2)CC1 ZINC001458844407 892128812 /nfs/dbraw/zinc/12/88/12/892128812.db2.gz VQSRAMRCLMMUCG-UHFFFAOYSA-N 1 2 293.327 -1.216 20 0 CAADLO CC(=O)NCC(=O)N1CC[C@H]1CNC(=O)Cc1c[nH]c[nH+]1 ZINC001458834693 892129075 /nfs/dbraw/zinc/12/90/75/892129075.db2.gz LWKRNOHFSHUJCI-NSHDSACASA-N 1 2 293.327 -1.195 20 0 CAADLO Cn1[nH]c(C[N@@H+]2CC[C@@]3(CNC(=O)C3)C2)nc1=O ZINC001460030586 892139293 /nfs/dbraw/zinc/13/92/93/892139293.db2.gz PRNPPYPTKNGJSP-LLVKDONJSA-N 1 2 251.290 -1.180 20 0 CAADLO Cn1[nH]c(C[N@H+]2CC[C@@]3(CNC(=O)C3)C2)nc1=O ZINC001460030586 892139299 /nfs/dbraw/zinc/13/92/99/892139299.db2.gz PRNPPYPTKNGJSP-LLVKDONJSA-N 1 2 251.290 -1.180 20 0 CAADLO O=C1NC(=O)N2CC[N@@H+](C[C@H](O)C[C@]3(O)CCOC3)C[C@H]12 ZINC001459877045 892140784 /nfs/dbraw/zinc/14/07/84/892140784.db2.gz QFVATIYRXKQZGW-GIPNMCIBSA-N 1 2 299.327 -1.875 20 0 CAADLO O=C1NC(=O)N2CC[N@H+](C[C@H](O)C[C@]3(O)CCOC3)C[C@H]12 ZINC001459877045 892140794 /nfs/dbraw/zinc/14/07/94/892140794.db2.gz QFVATIYRXKQZGW-GIPNMCIBSA-N 1 2 299.327 -1.875 20 0 CAADLO COC[C@](C)(CO)[NH2+]Cc1nnc2c(=O)[nH]ccn12 ZINC001460619544 892147791 /nfs/dbraw/zinc/14/77/91/892147791.db2.gz OWZVHZIZCFNPRA-NSHDSACASA-N 1 2 267.289 -1.095 20 0 CAADLO CNC(=O)Cc1noc(C[N@@H+]2CCC[C@@H](CO)[C@H]2CO)n1 ZINC001460561656 892148311 /nfs/dbraw/zinc/14/83/11/892148311.db2.gz WPUJMHHKXXDRCI-VHSXEESVSA-N 1 2 298.343 -1.077 20 0 CAADLO CNC(=O)Cc1noc(C[N@H+]2CCC[C@@H](CO)[C@H]2CO)n1 ZINC001460561656 892148316 /nfs/dbraw/zinc/14/83/16/892148316.db2.gz WPUJMHHKXXDRCI-VHSXEESVSA-N 1 2 298.343 -1.077 20 0 CAADLO COC(=O)[C@]1(O)CC[N@H+](Cc2nc(=O)n(C)[nH]2)C1 ZINC001460696289 892148397 /nfs/dbraw/zinc/14/83/97/892148397.db2.gz RSOXXYLPOCMMQK-JTQLQIEISA-N 1 2 256.262 -1.782 20 0 CAADLO COC(=O)[C@]1(O)CC[N@@H+](Cc2nc(=O)n(C)[nH]2)C1 ZINC001460696289 892148400 /nfs/dbraw/zinc/14/84/00/892148400.db2.gz RSOXXYLPOCMMQK-JTQLQIEISA-N 1 2 256.262 -1.782 20 0 CAADLO O=c1[nH]ccn2c(C[NH+]3C[C@@H](CO)[C@H](CO)C3)nnc12 ZINC001460522435 892149017 /nfs/dbraw/zinc/14/90/17/892149017.db2.gz UUQRPKZXIXKVST-IUCAKERBSA-N 1 2 279.300 -1.550 20 0 CAADLO COC(=O)[C@@]1(O)CC[N@H+](Cc2nc(=O)n(C)[nH]2)C1 ZINC001460696292 892149963 /nfs/dbraw/zinc/14/99/63/892149963.db2.gz RSOXXYLPOCMMQK-SNVBAGLBSA-N 1 2 256.262 -1.782 20 0 CAADLO COC(=O)[C@@]1(O)CC[N@@H+](Cc2nc(=O)n(C)[nH]2)C1 ZINC001460696292 892149966 /nfs/dbraw/zinc/14/99/66/892149966.db2.gz RSOXXYLPOCMMQK-SNVBAGLBSA-N 1 2 256.262 -1.782 20 0 CAADLO C[C@@H]1C[N@H+](Cc2nc(=O)n(C)[nH]2)C[C@H]1CS(N)(=O)=O ZINC001460858151 892151767 /nfs/dbraw/zinc/15/17/67/892151767.db2.gz GCSGETZDRCJAEF-SFYZADRCSA-N 1 2 289.361 -1.535 20 0 CAADLO C[C@@H]1C[N@@H+](Cc2nc(=O)n(C)[nH]2)C[C@H]1CS(N)(=O)=O ZINC001460858151 892151773 /nfs/dbraw/zinc/15/17/73/892151773.db2.gz GCSGETZDRCJAEF-SFYZADRCSA-N 1 2 289.361 -1.535 20 0 CAADLO CN1CCn2c(C[N@H+](C)C[C@H]3CNC(=O)C3)nnc2C1=O ZINC001460772106 892153400 /nfs/dbraw/zinc/15/34/00/892153400.db2.gz BEHWDLQVJBDUMC-SECBINFHSA-N 1 2 292.343 -1.068 20 0 CAADLO CN1CCn2c(C[N@@H+](C)C[C@H]3CNC(=O)C3)nnc2C1=O ZINC001460772106 892153405 /nfs/dbraw/zinc/15/34/05/892153405.db2.gz BEHWDLQVJBDUMC-SECBINFHSA-N 1 2 292.343 -1.068 20 0 CAADLO Cn1[nH]c(C[NH+]2CCC3(CC2)C[C@H](O)CNC3=O)nc1=O ZINC001460882697 892153762 /nfs/dbraw/zinc/15/37/62/892153762.db2.gz YXALBDNTYGVSDJ-VIFPVBQESA-N 1 2 295.343 -1.429 20 0 CAADLO O=c1[nH]ccn2c(C[N@@H+]3C[C@H](CO)[C@H](CCO)C3)nnc12 ZINC001460968756 892155174 /nfs/dbraw/zinc/15/51/74/892155174.db2.gz YIRFDQPEAJIYIN-NXEZZACHSA-N 1 2 293.327 -1.160 20 0 CAADLO O=c1[nH]ccn2c(C[N@H+]3C[C@H](CO)[C@H](CCO)C3)nnc12 ZINC001460968756 892155183 /nfs/dbraw/zinc/15/51/83/892155183.db2.gz YIRFDQPEAJIYIN-NXEZZACHSA-N 1 2 293.327 -1.160 20 0 CAADLO CC(C)NC(=O)[C@@H](C)[NH2+]Cc1cn(CC(N)=O)nn1 ZINC001461581473 892155409 /nfs/dbraw/zinc/15/54/09/892155409.db2.gz HVXBROJKEMPHNH-MRVPVSSYSA-N 1 2 268.321 -1.234 20 0 CAADLO CS(=O)(=O)CC[NH2+]Cc1cn(CC(N)=O)nn1 ZINC001461114821 892155746 /nfs/dbraw/zinc/15/57/46/892155746.db2.gz NQQAXQRTVSHCGT-UHFFFAOYSA-N 1 2 261.307 -2.102 20 0 CAADLO CC[C@@H]([NH2+]Cc1cn(CC(N)=O)nn1)C(=O)NC ZINC001461576591 892156264 /nfs/dbraw/zinc/15/62/64/892156264.db2.gz IOOZQETVQLFLMV-MRVPVSSYSA-N 1 2 254.294 -1.622 20 0 CAADLO O=c1[nH]ccn2c(C[N@@H+]3C[C@@H](CO)[C@H](CCO)C3)nnc12 ZINC001460968767 892157430 /nfs/dbraw/zinc/15/74/30/892157430.db2.gz YIRFDQPEAJIYIN-ZJUUUORDSA-N 1 2 293.327 -1.160 20 0 CAADLO O=c1[nH]ccn2c(C[N@H+]3C[C@@H](CO)[C@H](CCO)C3)nnc12 ZINC001460968767 892157439 /nfs/dbraw/zinc/15/74/39/892157439.db2.gz YIRFDQPEAJIYIN-ZJUUUORDSA-N 1 2 293.327 -1.160 20 0 CAADLO CC(C)CNC(=O)C[NH2+]Cc1cn(CC(N)=O)nn1 ZINC001461163372 892157662 /nfs/dbraw/zinc/15/76/62/892157662.db2.gz YDRTVELWTPKPHS-UHFFFAOYSA-N 1 2 268.321 -1.375 20 0 CAADLO Cn1nncc1C[NH2+]CCS(=O)(=O)N=S(C)(C)=O ZINC001461773615 892160530 /nfs/dbraw/zinc/16/05/30/892160530.db2.gz GCEGPRIAFYRXSP-UHFFFAOYSA-N 1 2 295.390 -1.038 20 0 CAADLO COC(=O)[C@@H]1CC[N@H+](Cc2cn(CC(N)=O)nn2)C1 ZINC001461868755 892161990 /nfs/dbraw/zinc/16/19/90/892161990.db2.gz FGKFCOWIBFRBJW-MRVPVSSYSA-N 1 2 267.289 -1.242 20 0 CAADLO COC(=O)[C@@H]1CC[N@@H+](Cc2cn(CC(N)=O)nn2)C1 ZINC001461868755 892161999 /nfs/dbraw/zinc/16/19/99/892161999.db2.gz FGKFCOWIBFRBJW-MRVPVSSYSA-N 1 2 267.289 -1.242 20 0 CAADLO NC(=O)[C@@H]1CN(S(=O)(=O)CCn2cc[nH+]c2)CCO1 ZINC001462943064 892165689 /nfs/dbraw/zinc/16/56/89/892165689.db2.gz ARJYZNQVPGMDTA-VIFPVBQESA-N 1 2 288.329 -1.601 20 0 CAADLO CN1CC[N@H+](C)C[C@H]1CNS(=O)(=O)[C@@H]1COC[C@H]1O ZINC001463076781 892165758 /nfs/dbraw/zinc/16/57/58/892165758.db2.gz NOPVSBNCWAPEBB-GMTAPVOTSA-N 1 2 293.389 -2.089 20 0 CAADLO CN1CC[N@@H+](C)C[C@H]1CNS(=O)(=O)[C@@H]1COC[C@H]1O ZINC001463076781 892165761 /nfs/dbraw/zinc/16/57/61/892165761.db2.gz NOPVSBNCWAPEBB-GMTAPVOTSA-N 1 2 293.389 -2.089 20 0 CAADLO C[C@@H]1CN(S(=O)(=O)N2CC[NH+](C)CC2)C[C@H](CO)O1 ZINC001463525105 892166983 /nfs/dbraw/zinc/16/69/83/892166983.db2.gz DRQZRDNRONGZEL-GHMZBOCLSA-N 1 2 293.389 -1.440 20 0 CAADLO CNC(=O)CCCN(C)S(=O)(=O)N1CC[NH+](C)CC1 ZINC001463349948 892169048 /nfs/dbraw/zinc/16/90/48/892169048.db2.gz UCWBBTVICDRHEB-UHFFFAOYSA-N 1 2 292.405 -1.063 20 0 CAADLO COCCCN(CCO)S(=O)(=O)N1CC[NH+](C)CC1 ZINC001463544105 892171913 /nfs/dbraw/zinc/17/19/13/892171913.db2.gz WLFPAZGMECLZGQ-UHFFFAOYSA-N 1 2 295.405 -1.191 20 0 CAADLO CNC(=O)[C@@H]1CCN(S(=O)(=O)N2CC[NH+](C)CC2)C1 ZINC001463933174 892174728 /nfs/dbraw/zinc/17/47/28/892174728.db2.gz YCVGRELFCZZDSS-SNVBAGLBSA-N 1 2 290.389 -1.454 20 0 CAADLO COC(=O)C[C@@H]1C(=O)NCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001464127433 892180545 /nfs/dbraw/zinc/18/05/45/892180545.db2.gz UEVPZPHGZMNQLZ-SECBINFHSA-N 1 2 280.284 -1.158 20 0 CAADLO Cn1c[nH+]cc1CNS(=O)(=O)c1cn(C)c(=O)[nH]c1=O ZINC001464340895 892184938 /nfs/dbraw/zinc/18/49/38/892184938.db2.gz SWUSJJCQUFSSDY-UHFFFAOYSA-N 1 2 299.312 -1.302 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@H](NC(=O)CCNC(=O)CO)C1 ZINC001464927530 892199418 /nfs/dbraw/zinc/19/94/18/892199418.db2.gz UGJPMSONWJHUOI-VIFPVBQESA-N 1 2 286.332 -2.449 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@H](NC(=O)CCNC(=O)CO)C1 ZINC001464927530 892199431 /nfs/dbraw/zinc/19/94/31/892199431.db2.gz UGJPMSONWJHUOI-VIFPVBQESA-N 1 2 286.332 -2.449 20 0 CAADLO Cc1[nH]c(CNC(=O)[C@H](CO)NC(N)=O)[nH+]c1C ZINC001465749140 892208237 /nfs/dbraw/zinc/20/82/37/892208237.db2.gz NCMYICOFQFYPFU-ZETCQYMHSA-N 1 2 255.278 -1.328 20 0 CAADLO Cc1[nH]c(CNC(=O)[C@@H](CO)NC(N)=O)[nH+]c1C ZINC001465749139 892209542 /nfs/dbraw/zinc/20/95/42/892209542.db2.gz NCMYICOFQFYPFU-SSDOTTSWSA-N 1 2 255.278 -1.328 20 0 CAADLO C[C@@H](CNC(=O)/C=C/C[NH+]1CCOCC1)S(N)(=O)=O ZINC001466148300 892219418 /nfs/dbraw/zinc/21/94/18/892219418.db2.gz ISXRLXDUQWMKCB-PBKGFPTLSA-N 1 2 291.373 -1.332 20 0 CAADLO CN(C)[C@H](C(=O)N[C@H]1CN(C)NC1=O)c1c[nH+]cn1C ZINC001466409385 892225781 /nfs/dbraw/zinc/22/57/81/892225781.db2.gz DBXCLJNCDNJVKQ-WPRPVWTQSA-N 1 2 280.332 -1.516 20 0 CAADLO CN(C)[C@@H](C(=O)N[C@H]1CN(C)NC1=O)c1c[nH+]cn1C ZINC001466409384 892226663 /nfs/dbraw/zinc/22/66/63/892226663.db2.gz DBXCLJNCDNJVKQ-WCBMZHEXSA-N 1 2 280.332 -1.516 20 0 CAADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)Nc1ncn(C)n1 ZINC001466720982 892231478 /nfs/dbraw/zinc/23/14/78/892231478.db2.gz YRTNKYWOWMPAPM-JTQLQIEISA-N 1 2 298.347 -1.028 20 0 CAADLO O=C(CN1C(=O)CNC1=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC001467288477 892244307 /nfs/dbraw/zinc/24/43/07/892244307.db2.gz CSEGWAMPTLFLPW-MRVPVSSYSA-N 1 2 277.284 -1.134 20 0 CAADLO NS(=O)(=O)CCOCCNC(=O)CCc1c[nH]c[nH+]1 ZINC001467851716 892256812 /nfs/dbraw/zinc/25/68/12/892256812.db2.gz JZUIVVGRSPCEDB-UHFFFAOYSA-N 1 2 290.345 -1.236 20 0 CAADLO NS(=O)(=O)CCOCCNC(=O)CCc1c[nH+]c[nH]1 ZINC001467851716 892256824 /nfs/dbraw/zinc/25/68/24/892256824.db2.gz JZUIVVGRSPCEDB-UHFFFAOYSA-N 1 2 290.345 -1.236 20 0 CAADLO CC(C)[N@H+](C)CC(=O)NC[C@@]1(O)CCS(=O)(=O)C1 ZINC001468108277 892260260 /nfs/dbraw/zinc/26/02/60/892260260.db2.gz HKEMGMXPFDTOQE-NSHDSACASA-N 1 2 278.374 -1.008 20 0 CAADLO CC(C)[N@@H+](C)CC(=O)NC[C@@]1(O)CCS(=O)(=O)C1 ZINC001468108277 892260277 /nfs/dbraw/zinc/26/02/77/892260277.db2.gz HKEMGMXPFDTOQE-NSHDSACASA-N 1 2 278.374 -1.008 20 0 CAADLO O=C(NCCn1cc[nH+]c1)NC[C@@H](O)Cn1ccnn1 ZINC001468288502 892267129 /nfs/dbraw/zinc/26/71/29/892267129.db2.gz QYBLJSVCHQQFKG-SNVBAGLBSA-N 1 2 279.304 -1.165 20 0 CAADLO CC(=O)NCC(=O)NCC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC001468259374 892269059 /nfs/dbraw/zinc/26/90/59/892269059.db2.gz YYLIVAHEUPCXMC-VIFPVBQESA-N 1 2 279.300 -1.824 20 0 CAADLO COCC[N@H+](C)CCNC(=O)NCc1n[nH]c(=O)n1C ZINC001468512539 892272503 /nfs/dbraw/zinc/27/25/03/892272503.db2.gz IMGSTKIYFIVPPD-UHFFFAOYSA-N 1 2 286.336 -1.102 20 0 CAADLO COCC[N@@H+](C)CCNC(=O)NCc1n[nH]c(=O)n1C ZINC001468512539 892272521 /nfs/dbraw/zinc/27/25/21/892272521.db2.gz IMGSTKIYFIVPPD-UHFFFAOYSA-N 1 2 286.336 -1.102 20 0 CAADLO NC(=O)c1ncn(CC(=O)N2CCn3c[nH+]cc3C2)n1 ZINC001468669520 892274791 /nfs/dbraw/zinc/27/47/91/892274791.db2.gz SSWHGRGAFORBAG-UHFFFAOYSA-N 1 2 275.272 -1.384 20 0 CAADLO O=C(N[C@@H]1CCn2c[nH+]cc21)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001470554988 892317471 /nfs/dbraw/zinc/31/74/71/892317471.db2.gz QLZNJOCSLWOGDY-SFYZADRCSA-N 1 2 298.324 -1.643 20 0 CAADLO Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](C(N)=O)[C@H](C(N)=O)C1 ZINC001470562154 892317949 /nfs/dbraw/zinc/31/79/49/892317949.db2.gz MMXHCSYIRLRNTG-HTQZYQBOSA-N 1 2 279.300 -1.694 20 0 CAADLO Cn1c[nH+]cc1[C@H](CO)NC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001470567536 892320578 /nfs/dbraw/zinc/32/05/78/892320578.db2.gz BIIBQYXJWNHYKY-BQBZGAKWSA-N 1 2 281.272 -1.832 20 0 CAADLO Cn1c[nH+]cc1[C@H](CO)NC(=O)CN1C(=O)CN(C)C1=O ZINC001470571589 892320890 /nfs/dbraw/zinc/32/08/90/892320890.db2.gz SMJXCCGUDBSXFY-QMMMGPOBSA-N 1 2 295.299 -1.536 20 0 CAADLO Cn1c[nH+]cc1[C@H](CO)NC(=O)C1(C(N)=O)CC1 ZINC001470573328 892321091 /nfs/dbraw/zinc/32/10/91/892321091.db2.gz YSEZDYRMSLUQKM-ZETCQYMHSA-N 1 2 252.274 -1.165 20 0 CAADLO CC(C)(CNC(=O)[C@H](CO)NC(N)=O)n1cc[nH+]c1 ZINC001470568501 892321339 /nfs/dbraw/zinc/32/13/39/892321339.db2.gz VAOUOFZLTNGISE-QMMMGPOBSA-N 1 2 269.305 -1.236 20 0 CAADLO Cn1c[nH+]cc1[C@H](CO)NC(=O)[C@@H]1CCC(=O)N1 ZINC001470566445 892321973 /nfs/dbraw/zinc/32/19/73/892321973.db2.gz CWNZKGBYSOPSPW-YUMQZZPRSA-N 1 2 252.274 -1.152 20 0 CAADLO Cn1c[nH+]cc1[C@@H](CO)NC(=O)[C@@H]1CCC(=O)N1 ZINC001470566442 892323540 /nfs/dbraw/zinc/32/35/40/892323540.db2.gz CWNZKGBYSOPSPW-JGVFFNPUSA-N 1 2 252.274 -1.152 20 0 CAADLO Cn1c[nH+]cc1[C@@H](CO)NC(=O)[C@H]1CCNC1=O ZINC001470568440 892324554 /nfs/dbraw/zinc/32/45/54/892324554.db2.gz UUFPBLYHUXGPQW-JGVFFNPUSA-N 1 2 252.274 -1.294 20 0 CAADLO O=C(Cc1c[nH]c[nH+]1)N[C@@H]1CS(=O)(=O)C[C@H]1O ZINC001470807917 892332164 /nfs/dbraw/zinc/33/21/64/892332164.db2.gz UCQXGTYYSKNPEC-HTQZYQBOSA-N 1 2 259.287 -1.774 20 0 CAADLO C[C@@H](C(=O)N[C@@H]1CS(=O)(=O)C[C@H]1O)n1cc[nH+]c1 ZINC001470806215 892334779 /nfs/dbraw/zinc/33/47/79/892334779.db2.gz VGZATJXVJLQPBQ-DJLDLDEBSA-N 1 2 273.314 -1.282 20 0 CAADLO Cn1cnn(CC(=O)N2CC[NH2+][C@H](c3cn[nH]c3)C2)c1=O ZINC001470885776 892335903 /nfs/dbraw/zinc/33/59/03/892335903.db2.gz CETPOJIZKQIREF-JTQLQIEISA-N 1 2 291.315 -1.522 20 0 CAADLO O=C(N[C@@H]1CS(=O)(=O)C[C@H]1O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001470808256 892336811 /nfs/dbraw/zinc/33/68/11/892336811.db2.gz YBYMFPJMRSZZDQ-OPRDCNLKSA-N 1 2 299.352 -1.280 20 0 CAADLO O=C(CCCc1nn[nH]n1)NCC[N@H+]1CC[C@H](O)C1 ZINC001470844506 892338413 /nfs/dbraw/zinc/33/84/13/892338413.db2.gz JDMCZRQJABISNJ-VIFPVBQESA-N 1 2 268.321 -1.295 20 0 CAADLO O=C(CCCc1nn[nH]n1)NCC[N@@H+]1CC[C@H](O)C1 ZINC001470844506 892338433 /nfs/dbraw/zinc/33/84/33/892338433.db2.gz JDMCZRQJABISNJ-VIFPVBQESA-N 1 2 268.321 -1.295 20 0 CAADLO C[N@@H+]1CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C[C@@H]1CO ZINC001471063474 892340996 /nfs/dbraw/zinc/34/09/96/892340996.db2.gz DAUAWTIYRXWXHM-KXUCPTDWSA-N 1 2 271.317 -1.846 20 0 CAADLO C[N@H+]1CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C[C@@H]1CO ZINC001471063474 892341014 /nfs/dbraw/zinc/34/10/14/892341014.db2.gz DAUAWTIYRXWXHM-KXUCPTDWSA-N 1 2 271.317 -1.846 20 0 CAADLO O=C(Cn1cc[nH+]c1)NCc1nnc2n1CCNC2=O ZINC001471588476 892360635 /nfs/dbraw/zinc/36/06/35/892360635.db2.gz MLNVQJVJPZNTGQ-UHFFFAOYSA-N 1 2 275.272 -1.466 20 0 CAADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H]1CC[C@H]1C(N)=O ZINC001471646959 892363460 /nfs/dbraw/zinc/36/34/60/892363460.db2.gz GKVFCKZVFOQVOD-UTLUCORTSA-N 1 2 293.327 -1.306 20 0 CAADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H]1CC[C@H]1C(N)=O ZINC001471646959 892363476 /nfs/dbraw/zinc/36/34/76/892363476.db2.gz GKVFCKZVFOQVOD-UTLUCORTSA-N 1 2 293.327 -1.306 20 0 CAADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H]1CC[C@@H]1C(N)=O ZINC001471646958 892365625 /nfs/dbraw/zinc/36/56/25/892365625.db2.gz GKVFCKZVFOQVOD-GUBZILKMSA-N 1 2 293.327 -1.306 20 0 CAADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H]1CC[C@@H]1C(N)=O ZINC001471646958 892365643 /nfs/dbraw/zinc/36/56/43/892365643.db2.gz GKVFCKZVFOQVOD-GUBZILKMSA-N 1 2 293.327 -1.306 20 0 CAADLO COC[C@H](NC(=O)[C@@H](C)C[NH+]1CCOCC1)c1nn[nH]n1 ZINC001471846868 892371882 /nfs/dbraw/zinc/37/18/82/892371882.db2.gz YSXHUEGPUYPLFI-UWVGGRQHSA-N 1 2 298.347 -1.028 20 0 CAADLO COC[C@@H](NC(=O)[C@@H](C)C[NH+]1CCOCC1)c1nn[nH]n1 ZINC001471846870 892373200 /nfs/dbraw/zinc/37/32/00/892373200.db2.gz YSXHUEGPUYPLFI-VHSXEESVSA-N 1 2 298.347 -1.028 20 0 CAADLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)Cn1nnc(N)n1 ZINC001471937885 892377232 /nfs/dbraw/zinc/37/72/32/892377232.db2.gz VDCJJMABOSOFEF-VIFPVBQESA-N 1 2 283.336 -1.518 20 0 CAADLO CCc1[nH]c(CNC(=O)CNS(=O)(=O)N(C)C)c[nH+]1 ZINC001472021019 892380132 /nfs/dbraw/zinc/38/01/32/892380132.db2.gz OLYMPBYKTKBFPT-UHFFFAOYSA-N 1 2 289.361 -1.016 20 0 CAADLO CCc1[nH]cc(CNC(=O)CNS(=O)(=O)N(C)C)[nH+]1 ZINC001472021019 892380157 /nfs/dbraw/zinc/38/01/57/892380157.db2.gz OLYMPBYKTKBFPT-UHFFFAOYSA-N 1 2 289.361 -1.016 20 0 CAADLO COC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)C[C@@H]1CC(=O)N1 ZINC001472085879 892385176 /nfs/dbraw/zinc/38/51/76/892385176.db2.gz BQRYLAVLFHAMIZ-IONNQARKSA-N 1 2 280.284 -1.111 20 0 CAADLO COC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)C[C@@H]1CC(=O)N1 ZINC001472085879 892385197 /nfs/dbraw/zinc/38/51/97/892385197.db2.gz BQRYLAVLFHAMIZ-IONNQARKSA-N 1 2 280.284 -1.111 20 0 CAADLO O=C([C@H]1CCCS1(=O)=O)N1CC([NH2+]C2COC2)C1 ZINC001472156988 892389148 /nfs/dbraw/zinc/38/91/48/892389148.db2.gz GYQOWLCNCONXTJ-SNVBAGLBSA-N 1 2 274.342 -1.237 20 0 CAADLO O=C([C@@H]1CCn2cc[nH+]c2C1)N1CC2(C1)NC(=O)NC2=O ZINC001472358185 892398270 /nfs/dbraw/zinc/39/82/70/892398270.db2.gz LKPVQDDAAYEEGP-MRVPVSSYSA-N 1 2 289.295 -1.134 20 0 CAADLO O=C([C@@H]1CCn2c[nH+]cc2C1)N1CC2(C1)NC(=O)NC2=O ZINC001472358339 892398877 /nfs/dbraw/zinc/39/88/77/892398877.db2.gz RNKNLRAFMZMSPO-MRVPVSSYSA-N 1 2 289.295 -1.134 20 0 CAADLO O=C([C@H]1CCn2cc[nH+]c2C1)N1CC2(C1)NC(=O)NC2=O ZINC001472358186 892399175 /nfs/dbraw/zinc/39/91/75/892399175.db2.gz LKPVQDDAAYEEGP-QMMMGPOBSA-N 1 2 289.295 -1.134 20 0 CAADLO CNC(=O)[C@H](O)CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001472544544 892399625 /nfs/dbraw/zinc/39/96/25/892399625.db2.gz AJYDUBDLVUGBFS-WCBMZHEXSA-N 1 2 266.301 -1.331 20 0 CAADLO C[C@H](O)[C@H](O)CN1CC[NH+](CC[S@@](C)=O)CC1 ZINC001473226408 892414051 /nfs/dbraw/zinc/41/40/51/892414051.db2.gz TXDZWAABYFZAJF-WVQJBOLRSA-N 1 2 264.391 -1.276 20 0 CAADLO C[S@](=O)CC[NH+]1CCN(CCNS(C)(=O)=O)CC1 ZINC001473226300 892414786 /nfs/dbraw/zinc/41/47/86/892414786.db2.gz QYGNHHZYJGOIRN-KRWDZBQOSA-N 1 2 297.446 -1.468 20 0 CAADLO NS(=O)(=O)[C@@H]1CC[N@H+](CCNC(=O)C2CC2)C1 ZINC001473284704 892415469 /nfs/dbraw/zinc/41/54/69/892415469.db2.gz OXYNAISISXXTTH-SECBINFHSA-N 1 2 261.347 -1.125 20 0 CAADLO NS(=O)(=O)[C@@H]1CC[N@@H+](CCNC(=O)C2CC2)C1 ZINC001473284704 892415481 /nfs/dbraw/zinc/41/54/81/892415481.db2.gz OXYNAISISXXTTH-SECBINFHSA-N 1 2 261.347 -1.125 20 0 CAADLO C[C@@H]1CCNC(=O)[C@@H]1[NH2+]Cc1cc(=O)n2[nH]c(N)nc2n1 ZINC001473420728 892416314 /nfs/dbraw/zinc/41/63/14/892416314.db2.gz WFHDDQUDBXJNFN-HZGVNTEJSA-N 1 2 291.315 -1.386 20 0 CAADLO C[C@H]1CN(CCO)CC[N@@H+]1CC1CN(S(C)(=O)=O)C1 ZINC001473546172 892417432 /nfs/dbraw/zinc/41/74/32/892417432.db2.gz CVZHVVPYTRNQBK-NSHDSACASA-N 1 2 291.417 -1.124 20 0 CAADLO C[C@H]1CN(CCO)CC[N@H+]1CC1CN(S(C)(=O)=O)C1 ZINC001473546172 892417448 /nfs/dbraw/zinc/41/74/48/892417448.db2.gz CVZHVVPYTRNQBK-NSHDSACASA-N 1 2 291.417 -1.124 20 0 CAADLO C[C@H](NC(=O)C[N@@H+]1C[C@H](O)[C@H](CO)C1)C(=O)N(C)C ZINC001473538065 892418001 /nfs/dbraw/zinc/41/80/01/892418001.db2.gz DHZAKHVAATVBBQ-GUBZILKMSA-N 1 2 273.333 -2.136 20 0 CAADLO C[C@H](NC(=O)C[N@H+]1C[C@H](O)[C@H](CO)C1)C(=O)N(C)C ZINC001473538065 892418010 /nfs/dbraw/zinc/41/80/10/892418010.db2.gz DHZAKHVAATVBBQ-GUBZILKMSA-N 1 2 273.333 -2.136 20 0 CAADLO C[C@@H]1CN(CCO)CC[N@@H+]1CC1CN(S(C)(=O)=O)C1 ZINC001473546171 892419051 /nfs/dbraw/zinc/41/90/51/892419051.db2.gz CVZHVVPYTRNQBK-LLVKDONJSA-N 1 2 291.417 -1.124 20 0 CAADLO C[C@@H]1CN(CCO)CC[N@H+]1CC1CN(S(C)(=O)=O)C1 ZINC001473546171 892419063 /nfs/dbraw/zinc/41/90/63/892419063.db2.gz CVZHVVPYTRNQBK-LLVKDONJSA-N 1 2 291.417 -1.124 20 0 CAADLO CCS(=O)(=O)NCCC[N@@H+]1CCOC[C@@H]1CC(N)=O ZINC001473557605 892420147 /nfs/dbraw/zinc/42/01/47/892420147.db2.gz AHTMEQWZEHNQHZ-JTQLQIEISA-N 1 2 293.389 -1.108 20 0 CAADLO CCS(=O)(=O)NCCC[N@H+]1CCOC[C@@H]1CC(N)=O ZINC001473557605 892420151 /nfs/dbraw/zinc/42/01/51/892420151.db2.gz AHTMEQWZEHNQHZ-JTQLQIEISA-N 1 2 293.389 -1.108 20 0 CAADLO C[C@H](NC(=O)C[N@@H+]1CC[C@H](O)[C@@H](CO)C1)C(=O)N(C)C ZINC001473555723 892420306 /nfs/dbraw/zinc/42/03/06/892420306.db2.gz GVPMCCHOKOTGEI-AXFHLTTASA-N 1 2 287.360 -1.746 20 0 CAADLO C[C@H](NC(=O)C[N@H+]1CC[C@H](O)[C@@H](CO)C1)C(=O)N(C)C ZINC001473555723 892420314 /nfs/dbraw/zinc/42/03/14/892420314.db2.gz GVPMCCHOKOTGEI-AXFHLTTASA-N 1 2 287.360 -1.746 20 0 CAADLO NS(=O)(=O)NC1CC[NH+]([C@H]2CCNC2=O)CC1 ZINC001473705228 892421460 /nfs/dbraw/zinc/42/14/60/892421460.db2.gz WKFHOECIXGIRAK-QMMMGPOBSA-N 1 2 262.335 -1.868 20 0 CAADLO NC(=O)[C@H]1C[N@H+](Cc2cnsn2)C[C@H]1C(N)=O ZINC001473642180 892422249 /nfs/dbraw/zinc/42/22/49/892422249.db2.gz FVLFJGAHOPBTCI-KNVOCYPGSA-N 1 2 255.303 -1.443 20 0 CAADLO NC(=O)[C@H]1C[N@@H+](Cc2cnsn2)C[C@H]1C(N)=O ZINC001473642180 892422260 /nfs/dbraw/zinc/42/22/60/892422260.db2.gz FVLFJGAHOPBTCI-KNVOCYPGSA-N 1 2 255.303 -1.443 20 0 CAADLO CCc1nnc(C[NH+]2C[C@@H](C(N)=O)[C@H](C(N)=O)C2)[nH]1 ZINC001473642682 892424116 /nfs/dbraw/zinc/42/41/16/892424116.db2.gz MLBQFJDFGKHTLF-RNFRBKRXSA-N 1 2 266.305 -1.614 20 0 CAADLO COCCOC[C@@H](O)C[NH+]1CCN(S(N)(=O)=O)CC1 ZINC001473755800 892427849 /nfs/dbraw/zinc/42/78/49/892427849.db2.gz UBYSIBCHWJFIBL-JTQLQIEISA-N 1 2 297.377 -2.169 20 0 CAADLO C[N@H+](CCn1cnnc1)CC(=O)NCC(=O)N1CCCC1 ZINC001473765326 892427921 /nfs/dbraw/zinc/42/79/21/892427921.db2.gz FURLCWQXXHPQCM-UHFFFAOYSA-N 1 2 294.359 -1.052 20 0 CAADLO C[N@@H+](CCn1cnnc1)CC(=O)NCC(=O)N1CCCC1 ZINC001473765326 892427929 /nfs/dbraw/zinc/42/79/29/892427929.db2.gz FURLCWQXXHPQCM-UHFFFAOYSA-N 1 2 294.359 -1.052 20 0 CAADLO CS(=O)(=O)NCC[NH2+]Cc1cn(CC(N)=O)nn1 ZINC001473981656 892430024 /nfs/dbraw/zinc/43/00/24/892430024.db2.gz KCGXVTUGOPKYRV-UHFFFAOYSA-N 1 2 276.322 -2.598 20 0 CAADLO COCCn1cc(C[NH2+]Cc2cn(CC(N)=O)nn2)cn1 ZINC001474122484 892430047 /nfs/dbraw/zinc/43/00/47/892430047.db2.gz HMVFGXHCCOJLDH-UHFFFAOYSA-N 1 2 293.331 -1.104 20 0 CAADLO CN1C[C@H]([NH2+]Cc2cn(CC(N)=O)nn2)CC1=O ZINC001473981792 892430447 /nfs/dbraw/zinc/43/04/47/892430447.db2.gz NNUADEKMMOUSKK-SSDOTTSWSA-N 1 2 252.278 -1.916 20 0 CAADLO CO[C@@H]1COC[C@@H]1[NH2+]Cc1cn(CC(N)=O)nn1 ZINC001474174653 892431046 /nfs/dbraw/zinc/43/10/46/892431046.db2.gz MMVMMTYBVGBMBN-DTWKUNHWSA-N 1 2 255.278 -1.733 20 0 CAADLO Cn1ncc(C[NH2+]C[C@@]2(O)CCS(=O)(=O)C2)n1 ZINC001474149675 892431844 /nfs/dbraw/zinc/43/18/44/892431844.db2.gz QKPNOUWBCCNUDE-VIFPVBQESA-N 1 2 260.319 -1.546 20 0 CAADLO CNC(=O)CNS(=O)(=O)N1CC[NH+](C)CC1 ZINC001474816572 892434724 /nfs/dbraw/zinc/43/47/24/892434724.db2.gz UNORQZBYBVUOOX-UHFFFAOYSA-N 1 2 250.324 -2.186 20 0 CAADLO O=C1NCCn2c(C[NH2+]C3CCS(=O)(=O)CC3)nnc21 ZINC001474687222 892435531 /nfs/dbraw/zinc/43/55/31/892435531.db2.gz MWIFEHKPTDOMMK-UHFFFAOYSA-N 1 2 299.356 -1.312 20 0 CAADLO C[C@@H]1CN(S(=O)(=O)N2CC[NH+](C)CC2)C[C@@H]1O ZINC001475112449 892437834 /nfs/dbraw/zinc/43/78/34/892437834.db2.gz WTFFQXCMGQPUBU-ZJUUUORDSA-N 1 2 263.363 -1.209 20 0 CAADLO CCN([C@H]1CCNC1=O)S(=O)(=O)N1CC[NH+](C)CC1 ZINC001475237575 892438811 /nfs/dbraw/zinc/43/88/11/892438811.db2.gz TYVTXQMIWSIPGL-JTQLQIEISA-N 1 2 290.389 -1.311 20 0 CAADLO C[C@H]1CCNC(=O)[C@H]1NS(=O)(=O)N1CC[NH+](C)CC1 ZINC001475234756 892439016 /nfs/dbraw/zinc/43/90/16/892439016.db2.gz KQLNWJMGGKAJRE-UWVGGRQHSA-N 1 2 290.389 -1.407 20 0 CAADLO C[C@H](O)[C@H]1CN(S(=O)(=O)N2CC[NH+](C)CC2)CCO1 ZINC001475382510 892442379 /nfs/dbraw/zinc/44/23/79/892442379.db2.gz DIWWHUHWFDSQAU-WDEREUQCSA-N 1 2 293.389 -1.440 20 0 CAADLO CON(C)CCNS(=O)(=O)N1CC[NH+](C)CC1 ZINC001475488023 892444840 /nfs/dbraw/zinc/44/48/40/892444840.db2.gz LVCDGDJOQWNSRY-UHFFFAOYSA-N 1 2 266.367 -1.439 20 0 CAADLO O=S(=O)(CCn1cc[nH+]c1)N1CC[C@@H](O)[C@@H](O)C1 ZINC001475586817 892445755 /nfs/dbraw/zinc/44/57/55/892445755.db2.gz GQXWBXFDJHULGX-ZJUUUORDSA-N 1 2 275.330 -1.360 20 0 CAADLO COC(=O)C[C@@H](O)CNS(=O)(=O)N1CC[NH+](C)CC1 ZINC001475556344 892446799 /nfs/dbraw/zinc/44/67/99/892446799.db2.gz SUQFCEQUFHOEAD-SECBINFHSA-N 1 2 295.361 -2.008 20 0 CAADLO CCNS(=O)(=O)N1CCC[N@H+](CC(=O)NC)CC1 ZINC001475705911 892448340 /nfs/dbraw/zinc/44/83/40/892448340.db2.gz WYXZXZGSPDDPPC-UHFFFAOYSA-N 1 2 278.378 -1.406 20 0 CAADLO CCNS(=O)(=O)N1CCC[N@@H+](CC(=O)NC)CC1 ZINC001475705911 892448345 /nfs/dbraw/zinc/44/83/45/892448345.db2.gz WYXZXZGSPDDPPC-UHFFFAOYSA-N 1 2 278.378 -1.406 20 0 CAADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NS(=O)(=O)NC1CC1 ZINC001475680897 892448952 /nfs/dbraw/zinc/44/89/52/892448952.db2.gz UQLPSPJUGUOXMY-VIFPVBQESA-N 1 2 287.345 -1.347 20 0 CAADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NS(=O)(=O)NC1CC1 ZINC001475680897 892448957 /nfs/dbraw/zinc/44/89/57/892448957.db2.gz UQLPSPJUGUOXMY-VIFPVBQESA-N 1 2 287.345 -1.347 20 0 CAADLO C[C@@H]1C[N@H+](CCNC(=O)N2C[C@@H](O)[C@H](CO)C2)CCO1 ZINC001477728956 892453950 /nfs/dbraw/zinc/45/39/50/892453950.db2.gz NUUVKSUEAIZZGL-GRYCIOLGSA-N 1 2 287.360 -1.298 20 0 CAADLO C[C@@H]1C[N@@H+](CCNC(=O)N2C[C@@H](O)[C@H](CO)C2)CCO1 ZINC001477728956 892453962 /nfs/dbraw/zinc/45/39/62/892453962.db2.gz NUUVKSUEAIZZGL-GRYCIOLGSA-N 1 2 287.360 -1.298 20 0 CAADLO C[C@@H]1C[N@H+](CCNC(=O)N2C[C@H](O)[C@@H](CO)C2)CCO1 ZINC001477728958 892455354 /nfs/dbraw/zinc/45/53/54/892455354.db2.gz NUUVKSUEAIZZGL-UTUOFQBUSA-N 1 2 287.360 -1.298 20 0 CAADLO C[C@@H]1C[N@@H+](CCNC(=O)N2C[C@H](O)[C@@H](CO)C2)CCO1 ZINC001477728958 892455362 /nfs/dbraw/zinc/45/53/62/892455362.db2.gz NUUVKSUEAIZZGL-UTUOFQBUSA-N 1 2 287.360 -1.298 20 0 CAADLO CCNC(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)Cn1cncn1 ZINC001479265671 892473107 /nfs/dbraw/zinc/47/31/07/892473107.db2.gz OATSMPRLFDGITI-LLVKDONJSA-N 1 2 294.359 -1.053 20 0 CAADLO CCNC(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)Cn1cncn1 ZINC001479265671 892473117 /nfs/dbraw/zinc/47/31/17/892473117.db2.gz OATSMPRLFDGITI-LLVKDONJSA-N 1 2 294.359 -1.053 20 0 CAADLO Cc1nn[nH]c1C(=O)N1CC2(C1)CC[N@H+](CC(N)=O)C2 ZINC001479760537 892481302 /nfs/dbraw/zinc/48/13/02/892481302.db2.gz WCOGOMLLDREBHB-UHFFFAOYSA-N 1 2 278.316 -1.254 20 0 CAADLO Cc1nn[nH]c1C(=O)N1CC2(C1)CC[N@@H+](CC(N)=O)C2 ZINC001479760537 892481304 /nfs/dbraw/zinc/48/13/04/892481304.db2.gz WCOGOMLLDREBHB-UHFFFAOYSA-N 1 2 278.316 -1.254 20 0 CAADLO C[N@H+](CCCNC(=O)C(N)=O)Cc1ncccn1 ZINC001479794345 892483593 /nfs/dbraw/zinc/48/35/93/892483593.db2.gz ZERYKPSRLBYKBQ-UHFFFAOYSA-N 1 2 251.290 -1.100 20 0 CAADLO C[N@@H+](CCCNC(=O)C(N)=O)Cc1ncccn1 ZINC001479794345 892483600 /nfs/dbraw/zinc/48/36/00/892483600.db2.gz ZERYKPSRLBYKBQ-UHFFFAOYSA-N 1 2 251.290 -1.100 20 0 CAADLO Cc1nnc(C[N@H+](C)CCCNC(=O)C(N)=O)o1 ZINC001479793441 892483728 /nfs/dbraw/zinc/48/37/28/892483728.db2.gz IOQFIQPPVWMLKJ-UHFFFAOYSA-N 1 2 255.278 -1.199 20 0 CAADLO Cc1nnc(C[N@@H+](C)CCCNC(=O)C(N)=O)o1 ZINC001479793441 892483732 /nfs/dbraw/zinc/48/37/32/892483732.db2.gz IOQFIQPPVWMLKJ-UHFFFAOYSA-N 1 2 255.278 -1.199 20 0 CAADLO CC[N@H+](CCCNC(=O)C(N)=O)Cc1cnon1 ZINC001479853738 892484601 /nfs/dbraw/zinc/48/46/01/892484601.db2.gz UXPFGBCUXJMGMH-UHFFFAOYSA-N 1 2 255.278 -1.117 20 0 CAADLO CC[N@@H+](CCCNC(=O)C(N)=O)Cc1cnon1 ZINC001479853738 892484608 /nfs/dbraw/zinc/48/46/08/892484608.db2.gz UXPFGBCUXJMGMH-UHFFFAOYSA-N 1 2 255.278 -1.117 20 0 CAADLO CC[N@H+](CCCNC(=O)CS(C)(=O)=O)CC(=O)NC ZINC001479838319 892484630 /nfs/dbraw/zinc/48/46/30/892484630.db2.gz CKUNTOICXNSLRW-UHFFFAOYSA-N 1 2 293.389 -1.395 20 0 CAADLO CC[N@@H+](CCCNC(=O)CS(C)(=O)=O)CC(=O)NC ZINC001479838319 892484640 /nfs/dbraw/zinc/48/46/40/892484640.db2.gz CKUNTOICXNSLRW-UHFFFAOYSA-N 1 2 293.389 -1.395 20 0 CAADLO CNC(=O)C[N@@H+]1CCC[C@H](NC(=O)CCNC(N)=O)C1 ZINC001479914621 892485996 /nfs/dbraw/zinc/48/59/96/892485996.db2.gz XNROYHVPVPLIJV-VIFPVBQESA-N 1 2 285.348 -1.629 20 0 CAADLO CNC(=O)C[N@H+]1CCC[C@H](NC(=O)CCNC(N)=O)C1 ZINC001479914621 892486005 /nfs/dbraw/zinc/48/60/05/892486005.db2.gz XNROYHVPVPLIJV-VIFPVBQESA-N 1 2 285.348 -1.629 20 0 CAADLO COCC(=O)NCCN1CC[NH+]([C@H]2CCCNC2=O)CC1 ZINC001479923063 892486289 /nfs/dbraw/zinc/48/62/89/892486289.db2.gz OLTKXKMNNDYWMX-LBPRGKRZSA-N 1 2 298.387 -1.355 20 0 CAADLO CC(C)(C(N)=O)C(=O)N[C@@H]1CCC[N@H+](CC(N)=O)C1 ZINC001479905420 892486345 /nfs/dbraw/zinc/48/63/45/892486345.db2.gz GRIGJJMINQESHO-MRVPVSSYSA-N 1 2 270.333 -1.436 20 0 CAADLO CC(C)(C(N)=O)C(=O)N[C@@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001479905420 892486347 /nfs/dbraw/zinc/48/63/47/892486347.db2.gz GRIGJJMINQESHO-MRVPVSSYSA-N 1 2 270.333 -1.436 20 0 CAADLO COCC(=O)NCC[NH+]1CCN(Cc2nnnn2C)CC1 ZINC001479923441 892486705 /nfs/dbraw/zinc/48/67/05/892486705.db2.gz YWYUXJAPKOANIV-UHFFFAOYSA-N 1 2 297.363 -1.910 20 0 CAADLO CCCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCNC2=O)C1 ZINC001479961072 892489298 /nfs/dbraw/zinc/48/92/98/892489298.db2.gz ZBMXPRLNIHRCEF-GHMZBOCLSA-N 1 2 296.371 -1.161 20 0 CAADLO CCCNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCNC2=O)C1 ZINC001479961072 892489312 /nfs/dbraw/zinc/48/93/12/892489312.db2.gz ZBMXPRLNIHRCEF-GHMZBOCLSA-N 1 2 296.371 -1.161 20 0 CAADLO O=C(NCC[NH+]1CCN(CCF)CC1)[C@@H]1CCNC1=O ZINC001479934806 892491393 /nfs/dbraw/zinc/49/13/93/892491393.db2.gz SGEUXPCQWLCKKA-LLVKDONJSA-N 1 2 286.351 -1.174 20 0 CAADLO O=C(NCC1CC1)C(=O)N[C@@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001479966402 892495001 /nfs/dbraw/zinc/49/50/01/892495001.db2.gz OHHBONWMRHRVLL-GHMZBOCLSA-N 1 2 294.355 -1.408 20 0 CAADLO O=C(NCC1CC1)C(=O)N[C@@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001479966402 892495007 /nfs/dbraw/zinc/49/50/07/892495007.db2.gz OHHBONWMRHRVLL-GHMZBOCLSA-N 1 2 294.355 -1.408 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)C(=O)NCC2CC2)C1 ZINC001479966103 892495592 /nfs/dbraw/zinc/49/55/92/892495592.db2.gz AAXNDXMBIXFVPQ-MWLCHTKSSA-N 1 2 296.371 -1.162 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+]1CC[C@@H](NC(=O)C(=O)NCC2CC2)C1 ZINC001479966103 892495598 /nfs/dbraw/zinc/49/55/98/892495598.db2.gz AAXNDXMBIXFVPQ-MWLCHTKSSA-N 1 2 296.371 -1.162 20 0 CAADLO COCCC(=O)N1CC[C@H]([NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001480104374 892498299 /nfs/dbraw/zinc/49/82/99/892498299.db2.gz PVCBTHAQJGGZGX-VIFPVBQESA-N 1 2 283.332 -1.165 20 0 CAADLO COCCn1cc(C(=O)N2CC[NH+](CCO)CC2)nn1 ZINC001480357206 892510835 /nfs/dbraw/zinc/51/08/35/892510835.db2.gz UMONJZMKWPSFJV-UHFFFAOYSA-N 1 2 283.332 -1.325 20 0 CAADLO C[C@H](CNC(=O)Cn1cccn1)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001480423226 892514083 /nfs/dbraw/zinc/51/40/83/892514083.db2.gz BSTXSQTWBNZLGH-SECBINFHSA-N 1 2 293.331 -1.401 20 0 CAADLO C[C@@H](CNC(=O)c1cn(C)cn1)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001480445744 892517705 /nfs/dbraw/zinc/51/77/05/892517705.db2.gz FUBWWILRPSGAGG-QMMMGPOBSA-N 1 2 293.331 -1.250 20 0 CAADLO C[C@H](CNC(=O)[C@H]1[C@@H]2COC[C@@H]21)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001480518226 892525311 /nfs/dbraw/zinc/52/53/11/892525311.db2.gz NSABQCWERYYQPG-REIXXSIJSA-N 1 2 295.343 -1.405 20 0 CAADLO C[C@@H]([NH2+][C@@H](C)CNC(=O)C(N)=O)c1nnnn1C ZINC001480529910 892529401 /nfs/dbraw/zinc/52/94/01/892529401.db2.gz VZJZHKPWBYJAQC-NTSWFWBYSA-N 1 2 255.282 -2.149 20 0 CAADLO C[C@H](CNC(=O)C1(C(N)=O)CC1)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001480528975 892530325 /nfs/dbraw/zinc/53/03/25/892530325.db2.gz UAJNDVCAQIBLMJ-SSDOTTSWSA-N 1 2 296.331 -2.032 20 0 CAADLO C[C@@H](CNC(=O)C1(C(N)=O)CC1)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001480528977 892530381 /nfs/dbraw/zinc/53/03/81/892530381.db2.gz UAJNDVCAQIBLMJ-ZETCQYMHSA-N 1 2 296.331 -2.032 20 0 CAADLO C[C@H](CNC(=O)CN1C(=O)CNC1=O)[NH2+]Cc1cnon1 ZINC001480587314 892532992 /nfs/dbraw/zinc/53/29/92/892532992.db2.gz QYTMWHPWFDJYQQ-SSDOTTSWSA-N 1 2 296.287 -1.784 20 0 CAADLO C[C@H](CNC(=O)Cc1ncc[nH]1)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001480563631 892534621 /nfs/dbraw/zinc/53/46/21/892534621.db2.gz ZILLJWGMEGZHPP-MRVPVSSYSA-N 1 2 293.331 -1.332 20 0 CAADLO CC(=O)N[C@@H](C)C(=O)NCC[N@H+](C)CC(=O)NC1CC1 ZINC001480838271 892545724 /nfs/dbraw/zinc/54/57/24/892545724.db2.gz GWYPCFOTQINCAM-VIFPVBQESA-N 1 2 284.360 -1.162 20 0 CAADLO CC(=O)N[C@@H](C)C(=O)NCC[N@@H+](C)CC(=O)NC1CC1 ZINC001480838271 892545729 /nfs/dbraw/zinc/54/57/29/892545729.db2.gz GWYPCFOTQINCAM-VIFPVBQESA-N 1 2 284.360 -1.162 20 0 CAADLO C[N@H+](CCNC(=O)[C@@H]1COCCO1)CC(=O)NC1CC1 ZINC001480844310 892547245 /nfs/dbraw/zinc/54/72/45/892547245.db2.gz JATCWNDGPNUPIW-NSHDSACASA-N 1 2 285.344 -1.272 20 0 CAADLO C[N@@H+](CCNC(=O)[C@@H]1COCCO1)CC(=O)NC1CC1 ZINC001480844310 892547257 /nfs/dbraw/zinc/54/72/57/892547257.db2.gz JATCWNDGPNUPIW-NSHDSACASA-N 1 2 285.344 -1.272 20 0 CAADLO C[N@H+](CCNC(=O)[C@H]1COCCO1)CC(=O)NCC1CC1 ZINC001480845293 892548090 /nfs/dbraw/zinc/54/80/90/892548090.db2.gz ZHBNPVOIPHWLAO-GFCCVEGCSA-N 1 2 299.371 -1.024 20 0 CAADLO C[N@@H+](CCNC(=O)[C@H]1COCCO1)CC(=O)NCC1CC1 ZINC001480845293 892548103 /nfs/dbraw/zinc/54/81/03/892548103.db2.gz ZHBNPVOIPHWLAO-GFCCVEGCSA-N 1 2 299.371 -1.024 20 0 CAADLO C[N@H+](CCNC(=O)[C@@H]1COCCO1)CC(=O)NCC1CC1 ZINC001480845294 892548361 /nfs/dbraw/zinc/54/83/61/892548361.db2.gz ZHBNPVOIPHWLAO-LBPRGKRZSA-N 1 2 299.371 -1.024 20 0 CAADLO C[N@@H+](CCNC(=O)[C@@H]1COCCO1)CC(=O)NCC1CC1 ZINC001480845294 892548366 /nfs/dbraw/zinc/54/83/66/892548366.db2.gz ZHBNPVOIPHWLAO-LBPRGKRZSA-N 1 2 299.371 -1.024 20 0 CAADLO C[N@H+](CCNC(=O)CN1CCCC1=O)CC(=O)N1CCC1 ZINC001480839661 892548460 /nfs/dbraw/zinc/54/84/60/892548460.db2.gz KEHYRVUYALRGHG-UHFFFAOYSA-N 1 2 296.371 -1.111 20 0 CAADLO C[N@@H+](CCNC(=O)CN1CCCC1=O)CC(=O)N1CCC1 ZINC001480839661 892548465 /nfs/dbraw/zinc/54/84/65/892548465.db2.gz KEHYRVUYALRGHG-UHFFFAOYSA-N 1 2 296.371 -1.111 20 0 CAADLO CCNC(=O)C[N@H+](C)CCNC(=O)c1nccnc1N ZINC001480850174 892548489 /nfs/dbraw/zinc/54/84/89/892548489.db2.gz PZBDAQUVMNAABF-UHFFFAOYSA-N 1 2 280.332 -1.144 20 0 CAADLO CCNC(=O)C[N@@H+](C)CCNC(=O)c1nccnc1N ZINC001480850174 892548493 /nfs/dbraw/zinc/54/84/93/892548493.db2.gz PZBDAQUVMNAABF-UHFFFAOYSA-N 1 2 280.332 -1.144 20 0 CAADLO CCN(C)C(=O)C[N@H+](C)CCNC(=O)[C@H]1CCC(=O)N1 ZINC001480849214 892548584 /nfs/dbraw/zinc/54/85/84/892548584.db2.gz QVJXTAKEJDKPMS-SNVBAGLBSA-N 1 2 284.360 -1.209 20 0 CAADLO CCN(C)C(=O)C[N@@H+](C)CCNC(=O)[C@H]1CCC(=O)N1 ZINC001480849214 892548586 /nfs/dbraw/zinc/54/85/86/892548586.db2.gz QVJXTAKEJDKPMS-SNVBAGLBSA-N 1 2 284.360 -1.209 20 0 CAADLO CCNC(=O)C[N@H+](C)CCNC(=O)C1CN(C(C)=O)C1 ZINC001480857947 892549182 /nfs/dbraw/zinc/54/91/82/892549182.db2.gz FYEQNEYDUOKWPP-UHFFFAOYSA-N 1 2 284.360 -1.351 20 0 CAADLO CCNC(=O)C[N@@H+](C)CCNC(=O)C1CN(C(C)=O)C1 ZINC001480857947 892549194 /nfs/dbraw/zinc/54/91/94/892549194.db2.gz FYEQNEYDUOKWPP-UHFFFAOYSA-N 1 2 284.360 -1.351 20 0 CAADLO CCC(=O)NCC(=O)NCC[N@H+](C)CC(=O)NC ZINC001480850923 892549250 /nfs/dbraw/zinc/54/92/50/892549250.db2.gz MZUOMBAMJWCYPE-UHFFFAOYSA-N 1 2 258.322 -1.693 20 0 CAADLO CCC(=O)NCC(=O)NCC[N@@H+](C)CC(=O)NC ZINC001480850923 892549265 /nfs/dbraw/zinc/54/92/65/892549265.db2.gz MZUOMBAMJWCYPE-UHFFFAOYSA-N 1 2 258.322 -1.693 20 0 CAADLO Cn1nccc1C(=O)NCC[N@@H+](C)Cc1nc(=O)n(C)[nH]1 ZINC001480846781 892549592 /nfs/dbraw/zinc/54/95/92/892549592.db2.gz OWJXEAVCCBSPEH-UHFFFAOYSA-N 1 2 293.331 -1.296 20 0 CAADLO Cn1nccc1C(=O)NCC[N@H+](C)Cc1nc(=O)n(C)[nH]1 ZINC001480846781 892549604 /nfs/dbraw/zinc/54/96/04/892549604.db2.gz OWJXEAVCCBSPEH-UHFFFAOYSA-N 1 2 293.331 -1.296 20 0 CAADLO C[N@H+](CCNC(=O)Cn1cnnn1)CC(=O)NC1CC1 ZINC001480840442 892549686 /nfs/dbraw/zinc/54/96/86/892549686.db2.gz VFCMBHQFJAISOE-UHFFFAOYSA-N 1 2 281.320 -2.000 20 0 CAADLO C[N@@H+](CCNC(=O)Cn1cnnn1)CC(=O)NC1CC1 ZINC001480840442 892549696 /nfs/dbraw/zinc/54/96/96/892549696.db2.gz VFCMBHQFJAISOE-UHFFFAOYSA-N 1 2 281.320 -2.000 20 0 CAADLO C[N@H+](CCCS(C)(=O)=O)CCNC(=O)c1cn[nH]n1 ZINC001480884027 892551805 /nfs/dbraw/zinc/55/18/05/892551805.db2.gz CXANLHNETOQHTE-UHFFFAOYSA-N 1 2 289.361 -1.099 20 0 CAADLO C[N@@H+](CCCS(C)(=O)=O)CCNC(=O)c1cn[nH]n1 ZINC001480884027 892551812 /nfs/dbraw/zinc/55/18/12/892551812.db2.gz CXANLHNETOQHTE-UHFFFAOYSA-N 1 2 289.361 -1.099 20 0 CAADLO CCNC(=O)C[N@H+](C)CCNC(=O)c1ncn(C)n1 ZINC001480861051 892553535 /nfs/dbraw/zinc/55/35/35/892553535.db2.gz ZIOGTFBPHPIQEL-UHFFFAOYSA-N 1 2 268.321 -1.387 20 0 CAADLO CCNC(=O)C[N@@H+](C)CCNC(=O)c1ncn(C)n1 ZINC001480861051 892553543 /nfs/dbraw/zinc/55/35/43/892553543.db2.gz ZIOGTFBPHPIQEL-UHFFFAOYSA-N 1 2 268.321 -1.387 20 0 CAADLO CNC(=O)C[N@H+](C)CCNC(=O)[C@H](C)N1C(=O)CCC1=O ZINC001480872082 892553565 /nfs/dbraw/zinc/55/35/65/892553565.db2.gz VQXHNKQDNWSLRS-VIFPVBQESA-N 1 2 298.343 -1.682 20 0 CAADLO CNC(=O)C[N@@H+](C)CCNC(=O)[C@H](C)N1C(=O)CCC1=O ZINC001480872082 892553571 /nfs/dbraw/zinc/55/35/71/892553571.db2.gz VQXHNKQDNWSLRS-VIFPVBQESA-N 1 2 298.343 -1.682 20 0 CAADLO CN(C)C(=O)C[N@H+](C)CCNC(=O)Cn1ncn(C)c1=O ZINC001480882496 892554299 /nfs/dbraw/zinc/55/42/99/892554299.db2.gz MRMWRQYVHZUVEH-UHFFFAOYSA-N 1 2 298.347 -2.282 20 0 CAADLO CN(C)C(=O)C[N@@H+](C)CCNC(=O)Cn1ncn(C)c1=O ZINC001480882496 892554311 /nfs/dbraw/zinc/55/43/11/892554311.db2.gz MRMWRQYVHZUVEH-UHFFFAOYSA-N 1 2 298.347 -2.282 20 0 CAADLO C[N@H+](CCNC(=O)c1cn[nH]n1)[C@@H]1CCNC1=O ZINC001480885307 892555014 /nfs/dbraw/zinc/55/50/14/892555014.db2.gz WUCXGULYOOJBNW-MRVPVSSYSA-N 1 2 252.278 -1.645 20 0 CAADLO C[N@@H+](CCNC(=O)c1cn[nH]n1)[C@@H]1CCNC1=O ZINC001480885307 892555032 /nfs/dbraw/zinc/55/50/32/892555032.db2.gz WUCXGULYOOJBNW-MRVPVSSYSA-N 1 2 252.278 -1.645 20 0 CAADLO C[N@H+](CCNC(=O)c1cnn[nH]1)[C@@H]1CCNC1=O ZINC001480885307 892555044 /nfs/dbraw/zinc/55/50/44/892555044.db2.gz WUCXGULYOOJBNW-MRVPVSSYSA-N 1 2 252.278 -1.645 20 0 CAADLO C[N@@H+](CCNC(=O)c1cnn[nH]1)[C@@H]1CCNC1=O ZINC001480885307 892555058 /nfs/dbraw/zinc/55/50/58/892555058.db2.gz WUCXGULYOOJBNW-MRVPVSSYSA-N 1 2 252.278 -1.645 20 0 CAADLO CN(CC(=O)NCC[N@H+](C)CC(N)=O)C(=O)C1CC1 ZINC001480870498 892555429 /nfs/dbraw/zinc/55/54/29/892555429.db2.gz PHYZRWXVNIDREI-UHFFFAOYSA-N 1 2 270.333 -1.612 20 0 CAADLO CN(CC(=O)NCC[N@@H+](C)CC(N)=O)C(=O)C1CC1 ZINC001480870498 892555437 /nfs/dbraw/zinc/55/54/37/892555437.db2.gz PHYZRWXVNIDREI-UHFFFAOYSA-N 1 2 270.333 -1.612 20 0 CAADLO C[N@H+](CCNC(=O)[C@H]1CC[C@@H](C(N)=O)C1)CC(N)=O ZINC001480913637 892557616 /nfs/dbraw/zinc/55/76/16/892557616.db2.gz CPSMJVZHSGLTFL-BDAKNGLRSA-N 1 2 270.333 -1.579 20 0 CAADLO C[N@@H+](CCNC(=O)[C@H]1CC[C@@H](C(N)=O)C1)CC(N)=O ZINC001480913637 892557625 /nfs/dbraw/zinc/55/76/25/892557625.db2.gz CPSMJVZHSGLTFL-BDAKNGLRSA-N 1 2 270.333 -1.579 20 0 CAADLO C[N@H+](CCNC(=O)[C@]1(C)CCC(=O)N1)CC(=O)NC1CC1 ZINC001480910184 892557978 /nfs/dbraw/zinc/55/79/78/892557978.db2.gz RGGSLVIOVBJMTC-AWEZNQCLSA-N 1 2 296.371 -1.018 20 0 CAADLO C[N@@H+](CCNC(=O)[C@]1(C)CCC(=O)N1)CC(=O)NC1CC1 ZINC001480910184 892557986 /nfs/dbraw/zinc/55/79/86/892557986.db2.gz RGGSLVIOVBJMTC-AWEZNQCLSA-N 1 2 296.371 -1.018 20 0 CAADLO CN(C)C(=O)C[N@H+](C)CCNC(=O)[C@H]1CCNC1=O ZINC001480899059 892558490 /nfs/dbraw/zinc/55/84/90/892558490.db2.gz YWUJGXTVZAIMOT-VIFPVBQESA-N 1 2 270.333 -1.741 20 0 CAADLO CN(C)C(=O)C[N@@H+](C)CCNC(=O)[C@H]1CCNC1=O ZINC001480899059 892558496 /nfs/dbraw/zinc/55/84/96/892558496.db2.gz YWUJGXTVZAIMOT-VIFPVBQESA-N 1 2 270.333 -1.741 20 0 CAADLO C[N@H+](CCNC(=O)[C@]1(C)CCC(=O)NC1)CC(N)=O ZINC001480905566 892559335 /nfs/dbraw/zinc/55/93/35/892559335.db2.gz YMGVKPZCHSDJPB-GFCCVEGCSA-N 1 2 270.333 -1.564 20 0 CAADLO C[N@@H+](CCNC(=O)[C@]1(C)CCC(=O)NC1)CC(N)=O ZINC001480905566 892559347 /nfs/dbraw/zinc/55/93/47/892559347.db2.gz YMGVKPZCHSDJPB-GFCCVEGCSA-N 1 2 270.333 -1.564 20 0 CAADLO CN(C)C(=O)C[N@H+](C)CCNC(=O)[C@@H]1CCNC1=O ZINC001480899058 892559517 /nfs/dbraw/zinc/55/95/17/892559517.db2.gz YWUJGXTVZAIMOT-SECBINFHSA-N 1 2 270.333 -1.741 20 0 CAADLO CN(C)C(=O)C[N@@H+](C)CCNC(=O)[C@@H]1CCNC1=O ZINC001480899058 892559525 /nfs/dbraw/zinc/55/95/25/892559525.db2.gz YWUJGXTVZAIMOT-SECBINFHSA-N 1 2 270.333 -1.741 20 0 CAADLO CCN(C)C(=O)C[N@H+](C)CCNC(=O)CCNC(N)=O ZINC001480945283 892561567 /nfs/dbraw/zinc/56/15/67/892561567.db2.gz YLXMOOJPDNIKSD-UHFFFAOYSA-N 1 2 287.364 -1.429 20 0 CAADLO CCN(C)C(=O)C[N@@H+](C)CCNC(=O)CCNC(N)=O ZINC001480945283 892561577 /nfs/dbraw/zinc/56/15/77/892561577.db2.gz YLXMOOJPDNIKSD-UHFFFAOYSA-N 1 2 287.364 -1.429 20 0 CAADLO CNC(=O)C[N@H+](C)CCNC(=O)[C@H](C)[C@H]1CCC(=O)N1 ZINC001480915340 892562318 /nfs/dbraw/zinc/56/23/18/892562318.db2.gz WAAYADIAOXOURF-NXEZZACHSA-N 1 2 284.360 -1.305 20 0 CAADLO CNC(=O)C[N@@H+](C)CCNC(=O)[C@H](C)[C@H]1CCC(=O)N1 ZINC001480915340 892562331 /nfs/dbraw/zinc/56/23/31/892562331.db2.gz WAAYADIAOXOURF-NXEZZACHSA-N 1 2 284.360 -1.305 20 0 CAADLO C[N@H+](CCNC(=O)[C@@H](NC(N)=O)C(C)(C)C)CC(N)=O ZINC001480935946 892562826 /nfs/dbraw/zinc/56/28/26/892562826.db2.gz UDASIAQTNPLZMM-SECBINFHSA-N 1 2 287.364 -1.397 20 0 CAADLO C[N@@H+](CCNC(=O)[C@@H](NC(N)=O)C(C)(C)C)CC(N)=O ZINC001480935946 892562834 /nfs/dbraw/zinc/56/28/34/892562834.db2.gz UDASIAQTNPLZMM-SECBINFHSA-N 1 2 287.364 -1.397 20 0 CAADLO CN(C)C(=O)C[N@H+](C)CCNC(=O)C(=O)NCC1CC1 ZINC001480929037 892563600 /nfs/dbraw/zinc/56/36/00/892563600.db2.gz BBJOPQTZMLRWQR-UHFFFAOYSA-N 1 2 284.360 -1.351 20 0 CAADLO CN(C)C(=O)C[N@@H+](C)CCNC(=O)C(=O)NCC1CC1 ZINC001480929037 892563602 /nfs/dbraw/zinc/56/36/02/892563602.db2.gz BBJOPQTZMLRWQR-UHFFFAOYSA-N 1 2 284.360 -1.351 20 0 CAADLO C[N@H+](CCNC(=O)c1noc2c1COCC2)CC(N)=O ZINC001480950134 892563792 /nfs/dbraw/zinc/56/37/92/892563792.db2.gz PWISMTJKFYLDFL-UHFFFAOYSA-N 1 2 282.300 -1.106 20 0 CAADLO C[N@@H+](CCNC(=O)c1noc2c1COCC2)CC(N)=O ZINC001480950134 892563799 /nfs/dbraw/zinc/56/37/99/892563799.db2.gz PWISMTJKFYLDFL-UHFFFAOYSA-N 1 2 282.300 -1.106 20 0 CAADLO Cc1cc(NC(=O)C(=O)NCC[N@@H+](C)CC(N)=O)no1 ZINC001480945865 892563940 /nfs/dbraw/zinc/56/39/40/892563940.db2.gz DSELULWRLWIFTP-UHFFFAOYSA-N 1 2 283.288 -1.545 20 0 CAADLO Cc1cc(NC(=O)C(=O)NCC[N@H+](C)CC(N)=O)no1 ZINC001480945865 892563949 /nfs/dbraw/zinc/56/39/49/892563949.db2.gz DSELULWRLWIFTP-UHFFFAOYSA-N 1 2 283.288 -1.545 20 0 CAADLO CCCNC(=O)C[N@H+](C)CCNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001480914745 892563990 /nfs/dbraw/zinc/56/39/90/892563990.db2.gz ZSAIVCVCZLBZSO-ZJUUUORDSA-N 1 2 284.360 -1.318 20 0 CAADLO CCCNC(=O)C[N@@H+](C)CCNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001480914745 892563995 /nfs/dbraw/zinc/56/39/95/892563995.db2.gz ZSAIVCVCZLBZSO-ZJUUUORDSA-N 1 2 284.360 -1.318 20 0 CAADLO CNC(=O)C[N@H+](C)CCNC(=O)[C@@H](C)[C@H]1CCC(=O)N1 ZINC001480915342 892564082 /nfs/dbraw/zinc/56/40/82/892564082.db2.gz WAAYADIAOXOURF-VHSXEESVSA-N 1 2 284.360 -1.305 20 0 CAADLO CNC(=O)C[N@@H+](C)CCNC(=O)[C@@H](C)[C@H]1CCC(=O)N1 ZINC001480915342 892564094 /nfs/dbraw/zinc/56/40/94/892564094.db2.gz WAAYADIAOXOURF-VHSXEESVSA-N 1 2 284.360 -1.305 20 0 CAADLO Cn1[nH]c(C[N@H+](C)CCNC(=O)c2cnon2)nc1=O ZINC001480926570 892564172 /nfs/dbraw/zinc/56/41/72/892564172.db2.gz YHKAXULTHYCPIH-UHFFFAOYSA-N 1 2 281.276 -1.647 20 0 CAADLO Cn1[nH]c(C[N@@H+](C)CCNC(=O)c2cnon2)nc1=O ZINC001480926570 892564181 /nfs/dbraw/zinc/56/41/81/892564181.db2.gz YHKAXULTHYCPIH-UHFFFAOYSA-N 1 2 281.276 -1.647 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)C(=O)NCC1CC1 ZINC001480930796 892564932 /nfs/dbraw/zinc/56/49/32/892564932.db2.gz VNQIWNSXUJAZII-VIFPVBQESA-N 1 2 284.360 -1.305 20 0 CAADLO CNC(=O)[C@H](C)[N@H+](C)CCNC(=O)C(=O)NCC1CC1 ZINC001480930796 892564927 /nfs/dbraw/zinc/56/49/27/892564927.db2.gz VNQIWNSXUJAZII-VIFPVBQESA-N 1 2 284.360 -1.305 20 0 CAADLO CC[N@H+](CCNC(=O)C(N)=O)Cc1ccnn1C ZINC001480997820 892566968 /nfs/dbraw/zinc/56/69/68/892566968.db2.gz MKSSIGVFYFPUEA-UHFFFAOYSA-N 1 2 253.306 -1.157 20 0 CAADLO CC[N@@H+](CCNC(=O)C(N)=O)Cc1ccnn1C ZINC001480997820 892566979 /nfs/dbraw/zinc/56/69/79/892566979.db2.gz MKSSIGVFYFPUEA-UHFFFAOYSA-N 1 2 253.306 -1.157 20 0 CAADLO CC[N@H+](CCNC(=O)COC)Cc1nc(=O)n(C)[nH]1 ZINC001480956791 892568425 /nfs/dbraw/zinc/56/84/25/892568425.db2.gz COBROMJBTMTRJS-UHFFFAOYSA-N 1 2 271.321 -1.307 20 0 CAADLO CC[N@@H+](CCNC(=O)COC)Cc1nc(=O)n(C)[nH]1 ZINC001480956791 892568441 /nfs/dbraw/zinc/56/84/41/892568441.db2.gz COBROMJBTMTRJS-UHFFFAOYSA-N 1 2 271.321 -1.307 20 0 CAADLO CC[N@H+](CCNC(=O)[C@@H]1COC(=O)N1)Cc1cnnn1C ZINC001480972241 892569430 /nfs/dbraw/zinc/56/94/30/892569430.db2.gz HUHCAMNKEGSUQU-JTQLQIEISA-N 1 2 296.331 -1.138 20 0 CAADLO CC[N@@H+](CCNC(=O)[C@@H]1COC(=O)N1)Cc1cnnn1C ZINC001480972241 892569437 /nfs/dbraw/zinc/56/94/37/892569437.db2.gz HUHCAMNKEGSUQU-JTQLQIEISA-N 1 2 296.331 -1.138 20 0 CAADLO CC[N@H+](CCNC(=O)Cn1cnnn1)Cc1cnnn1C ZINC001480962123 892569648 /nfs/dbraw/zinc/56/96/48/892569648.db2.gz ZBRVJHSVGZGMMG-UHFFFAOYSA-N 1 2 293.335 -1.560 20 0 CAADLO CC[N@@H+](CCNC(=O)Cn1cnnn1)Cc1cnnn1C ZINC001480962123 892569654 /nfs/dbraw/zinc/56/96/54/892569654.db2.gz ZBRVJHSVGZGMMG-UHFFFAOYSA-N 1 2 293.335 -1.560 20 0 CAADLO CCNC(=O)NC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)C(N)=O ZINC001481055314 892571730 /nfs/dbraw/zinc/57/17/30/892571730.db2.gz CVSODGIBFVYKFZ-QMMMGPOBSA-N 1 2 299.331 -2.102 20 0 CAADLO CCNC(=O)NC(=O)C[N@H+]1CCC[C@H]1CNC(=O)C(N)=O ZINC001481055314 892571744 /nfs/dbraw/zinc/57/17/44/892571744.db2.gz CVSODGIBFVYKFZ-QMMMGPOBSA-N 1 2 299.331 -2.102 20 0 CAADLO CC[C@@H](C)NC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)C(N)=O ZINC001481055563 892572193 /nfs/dbraw/zinc/57/21/93/892572193.db2.gz IQPZZCNKRIXKOG-NXEZZACHSA-N 1 2 284.360 -1.033 20 0 CAADLO CC[C@@H](C)NC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)C(N)=O ZINC001481055563 892572196 /nfs/dbraw/zinc/57/21/96/892572196.db2.gz IQPZZCNKRIXKOG-NXEZZACHSA-N 1 2 284.360 -1.033 20 0 CAADLO CC[C@@H](C)NC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)C(N)=O ZINC001481055566 892572399 /nfs/dbraw/zinc/57/23/99/892572399.db2.gz IQPZZCNKRIXKOG-ZJUUUORDSA-N 1 2 284.360 -1.033 20 0 CAADLO CC[C@@H](C)NC(=O)C[N@H+]1CCC[C@H]1CNC(=O)C(N)=O ZINC001481055566 892572407 /nfs/dbraw/zinc/57/24/07/892572407.db2.gz IQPZZCNKRIXKOG-ZJUUUORDSA-N 1 2 284.360 -1.033 20 0 CAADLO CCNC(=O)NC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)C(N)=O ZINC001481055313 892572519 /nfs/dbraw/zinc/57/25/19/892572519.db2.gz CVSODGIBFVYKFZ-MRVPVSSYSA-N 1 2 299.331 -2.102 20 0 CAADLO CCNC(=O)NC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)C(N)=O ZINC001481055313 892572524 /nfs/dbraw/zinc/57/25/24/892572524.db2.gz CVSODGIBFVYKFZ-MRVPVSSYSA-N 1 2 299.331 -2.102 20 0 CAADLO CC(=O)NCC(=O)NC[C@@H]1CC[N@@H+](Cc2nnnn2C)C1 ZINC001481076329 892573787 /nfs/dbraw/zinc/57/37/87/892573787.db2.gz ORQDFASRUHWDCS-JTQLQIEISA-N 1 2 295.347 -1.716 20 0 CAADLO CC(=O)NCC(=O)NC[C@@H]1CC[N@H+](Cc2nnnn2C)C1 ZINC001481076329 892573796 /nfs/dbraw/zinc/57/37/96/892573796.db2.gz ORQDFASRUHWDCS-JTQLQIEISA-N 1 2 295.347 -1.716 20 0 CAADLO Cn1nncc1C[N@H+](CCNC(=O)CC(N)=O)C1CC1 ZINC001481162826 892577403 /nfs/dbraw/zinc/57/74/03/892577403.db2.gz AIAOCNHZOFRQOO-UHFFFAOYSA-N 1 2 280.332 -1.229 20 0 CAADLO Cn1nncc1C[N@@H+](CCNC(=O)CC(N)=O)C1CC1 ZINC001481162826 892577409 /nfs/dbraw/zinc/57/74/09/892577409.db2.gz AIAOCNHZOFRQOO-UHFFFAOYSA-N 1 2 280.332 -1.229 20 0 CAADLO CN(CC[NH2+]Cc1cnon1)C(=O)CS(C)(=O)=O ZINC001481211653 892581649 /nfs/dbraw/zinc/58/16/49/892581649.db2.gz LBHIHJJBPAYWFN-UHFFFAOYSA-N 1 2 276.318 -1.338 20 0 CAADLO NC(=O)C(=O)NCC[N@H+](CC(=O)NCC1CC1)C1CC1 ZINC001481183647 892582183 /nfs/dbraw/zinc/58/21/83/892582183.db2.gz RDACKKDVZXRYJS-UHFFFAOYSA-N 1 2 282.344 -1.422 20 0 CAADLO NC(=O)C(=O)NCC[N@@H+](CC(=O)NCC1CC1)C1CC1 ZINC001481183647 892582191 /nfs/dbraw/zinc/58/21/91/892582191.db2.gz RDACKKDVZXRYJS-UHFFFAOYSA-N 1 2 282.344 -1.422 20 0 CAADLO CC(=O)NCC(=O)N(C)CC[NH2+]Cc1nc(N(C)C)no1 ZINC001481202152 892584250 /nfs/dbraw/zinc/58/42/50/892584250.db2.gz LJJYYAOSUPXEOQ-UHFFFAOYSA-N 1 2 298.347 -1.180 20 0 CAADLO CN(CC[NH2+]Cc1n[nH]c(=O)[n-]1)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001481217543 892587943 /nfs/dbraw/zinc/58/79/43/892587943.db2.gz OJFBCQKDELHTJW-SECBINFHSA-N 1 2 298.347 -1.611 20 0 CAADLO CN(CC[NH2+]Cc1n[nH]c(=O)[n-]1)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001481217543 892587952 /nfs/dbraw/zinc/58/79/52/892587952.db2.gz OJFBCQKDELHTJW-SECBINFHSA-N 1 2 298.347 -1.611 20 0 CAADLO CN(CC[NH2+]Cc1ncccn1)C(=O)[C@H]1CNC(=O)N1 ZINC001481274259 892593068 /nfs/dbraw/zinc/59/30/68/892593068.db2.gz MYMHNRNBZSPUPH-SECBINFHSA-N 1 2 278.316 -1.294 20 0 CAADLO CN(CC[NH2+]Cc1nc(=O)n(C)[nH]1)C(=O)Cc1cnoc1 ZINC001481269787 892593315 /nfs/dbraw/zinc/59/33/15/892593315.db2.gz MDFBGUNVQVDPRT-UHFFFAOYSA-N 1 2 294.315 -1.113 20 0 CAADLO CCCCn1nnnc1C[NH2+]CCN(C)C(=O)C(N)=O ZINC001481272538 892593566 /nfs/dbraw/zinc/59/35/66/892593566.db2.gz FFNQWXOWHIGGQC-UHFFFAOYSA-N 1 2 283.336 -1.494 20 0 CAADLO Cc1nnc(C[NH2+]CCN(C)C(=O)[C@@H]2CNC(=O)N2)o1 ZINC001481274154 892593935 /nfs/dbraw/zinc/59/39/35/892593935.db2.gz KZIRBLDPMLZYRJ-QMMMGPOBSA-N 1 2 282.304 -1.393 20 0 CAADLO Cc1nnc(C[NH2+]CCN(C)C(=O)[C@H]2CNC(=O)N2)o1 ZINC001481274153 892595042 /nfs/dbraw/zinc/59/50/42/892595042.db2.gz KZIRBLDPMLZYRJ-MRVPVSSYSA-N 1 2 282.304 -1.393 20 0 CAADLO NC(=O)NC(=O)C[N@@H+]1CCC[C@H](NC(=O)c2ccn[nH]2)C1 ZINC001481531512 892601261 /nfs/dbraw/zinc/60/12/61/892601261.db2.gz AHDHJYKJCAIPAP-QMMMGPOBSA-N 1 2 294.315 -1.201 20 0 CAADLO NC(=O)NC(=O)C[N@H+]1CCC[C@H](NC(=O)c2ccn[nH]2)C1 ZINC001481531512 892601265 /nfs/dbraw/zinc/60/12/65/892601265.db2.gz AHDHJYKJCAIPAP-QMMMGPOBSA-N 1 2 294.315 -1.201 20 0 CAADLO CNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)COCCOC)C1 ZINC001481524102 892601473 /nfs/dbraw/zinc/60/14/73/892601473.db2.gz PGJUUJHMICUILH-LLVKDONJSA-N 1 2 287.360 -1.024 20 0 CAADLO CNC(=O)C[N@H+]1CCC[C@@H](NC(=O)COCCOC)C1 ZINC001481524102 892601476 /nfs/dbraw/zinc/60/14/76/892601476.db2.gz PGJUUJHMICUILH-LLVKDONJSA-N 1 2 287.360 -1.024 20 0 CAADLO COC[C@H](OC)C(=O)N[C@@H]1CCC[N@H+](CC(N)=O)C1 ZINC001481528668 892601782 /nfs/dbraw/zinc/60/17/82/892601782.db2.gz WHSZTPKNGPBBFQ-ZJUUUORDSA-N 1 2 273.333 -1.286 20 0 CAADLO COC[C@H](OC)C(=O)N[C@@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001481528668 892601789 /nfs/dbraw/zinc/60/17/89/892601789.db2.gz WHSZTPKNGPBBFQ-ZJUUUORDSA-N 1 2 273.333 -1.286 20 0 CAADLO CC(=O)N(C)CC[NH+]1CCN(Cc2nnn(C)n2)CC1 ZINC001481463493 892601844 /nfs/dbraw/zinc/60/18/44/892601844.db2.gz GTPJTZJKLHRDTN-UHFFFAOYSA-N 1 2 281.364 -1.194 20 0 CAADLO CC[C@H](NC(C)=O)C(=O)N[C@@H]1CCC[N@H+](CC(N)=O)C1 ZINC001481528310 892602095 /nfs/dbraw/zinc/60/20/95/892602095.db2.gz HJRHTRQJOYVRFI-MNOVXSKESA-N 1 2 284.360 -1.033 20 0 CAADLO CC[C@H](NC(C)=O)C(=O)N[C@@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001481528310 892602103 /nfs/dbraw/zinc/60/21/03/892602103.db2.gz HJRHTRQJOYVRFI-MNOVXSKESA-N 1 2 284.360 -1.033 20 0 CAADLO CC(=O)NCC(=O)NC1C[NH+](Cc2ccn(C)c(=O)c2)C1 ZINC001481542070 892603492 /nfs/dbraw/zinc/60/34/92/892603492.db2.gz RMVIAJKNNQEHMC-UHFFFAOYSA-N 1 2 292.339 -1.178 20 0 CAADLO O=C(NC1C[NH+](CCOCCO)C1)[C@@H]1CCOC1 ZINC001481548241 892605037 /nfs/dbraw/zinc/60/50/37/892605037.db2.gz YPPMRFVXPQOXTD-SNVBAGLBSA-N 1 2 258.318 -1.168 20 0 CAADLO O=C(NC1C[NH+](CCOCCO)C1)[C@H]1CCOC1 ZINC001481548234 892605530 /nfs/dbraw/zinc/60/55/30/892605530.db2.gz YPPMRFVXPQOXTD-JTQLQIEISA-N 1 2 258.318 -1.168 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(NC(=O)[C@H]2COC(=O)N2)C1 ZINC001481556413 892606908 /nfs/dbraw/zinc/60/69/08/892606908.db2.gz VILMZZMWTHAPRP-DTWKUNHWSA-N 1 2 273.289 -2.098 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(NC(=O)[C@@H]2COC(=O)N2)C1 ZINC001481556414 892607138 /nfs/dbraw/zinc/60/71/38/892607138.db2.gz VILMZZMWTHAPRP-IUCAKERBSA-N 1 2 273.289 -2.098 20 0 CAADLO COC[C@H](O)C[NH+]1CC(NC(=O)[C@H]2COC(=O)N2)C1 ZINC001481556415 892607820 /nfs/dbraw/zinc/60/78/20/892607820.db2.gz VILMZZMWTHAPRP-RKDXNWHRSA-N 1 2 273.289 -2.098 20 0 CAADLO CN(C)S(=O)(=O)N(C)CC(=O)NC1C[NH+](CCO)C1 ZINC001481559412 892608318 /nfs/dbraw/zinc/60/83/18/892608318.db2.gz QYFWKGOKNYEMIA-UHFFFAOYSA-N 1 2 294.377 -2.483 20 0 CAADLO COCCOCC[NH+]1CC(NC(=O)[C@H]2CCN(C)C2=O)C1 ZINC001481576328 892610106 /nfs/dbraw/zinc/61/01/06/892610106.db2.gz AUEMDGQUFGSKMX-GFCCVEGCSA-N 1 2 299.371 -1.072 20 0 CAADLO O=C(NC1C[NH+](CCOCCO)C1)[C@H]1CCC(=O)NC1 ZINC001481568515 892610734 /nfs/dbraw/zinc/61/07/34/892610734.db2.gz COJHMFQKIPPTLG-JTQLQIEISA-N 1 2 285.344 -1.678 20 0 CAADLO NC(=O)[C@@H]1CC[C@H]1C(=O)NC1C[NH+](CCOCCO)C1 ZINC001481573586 892611515 /nfs/dbraw/zinc/61/15/15/892611515.db2.gz DCONZPBOSVQZIW-GHMZBOCLSA-N 1 2 285.344 -1.693 20 0 CAADLO CC(=O)N[C@@H](C)C(=O)NCC1C[NH+](CC(=O)N2CCC2)C1 ZINC001481610550 892612588 /nfs/dbraw/zinc/61/25/88/892612588.db2.gz NVAMOSKRXISJJG-JTQLQIEISA-N 1 2 296.371 -1.209 20 0 CAADLO CNC(=O)C[NH+]1CC(CNC(=O)COCCOC)C1 ZINC001481617866 892613060 /nfs/dbraw/zinc/61/30/60/892613060.db2.gz SPSIFQISNGQPMK-UHFFFAOYSA-N 1 2 273.333 -1.557 20 0 CAADLO CCCOCC(=O)NCC1C[NH+](CC(=O)NC(N)=O)C1 ZINC001481614365 892612736 /nfs/dbraw/zinc/61/27/36/892612736.db2.gz PHSSIQPIGKHMNB-UHFFFAOYSA-N 1 2 286.332 -1.344 20 0 CAADLO CNC(=O)[C@@H](C)[NH+]1CC(CNC(=O)CCc2nnc[nH]2)C1 ZINC001481619767 892613347 /nfs/dbraw/zinc/61/33/47/892613347.db2.gz UQSGDBRLYJSITM-SECBINFHSA-N 1 2 294.359 -1.080 20 0 CAADLO CC(=O)N[C@@H](C)C(=O)NCC1C[NH+]([C@@H]2CCNC2=O)C1 ZINC001481610244 892613454 /nfs/dbraw/zinc/61/34/54/892613454.db2.gz GXRKVLWCIVXICO-GZMMTYOYSA-N 1 2 282.344 -1.553 20 0 CAADLO CCNC(=O)C[NH+]1CC(CNC(=O)CNC(=O)C2CC2)C1 ZINC001481616693 892613936 /nfs/dbraw/zinc/61/39/36/892613936.db2.gz YPVFCKIFNHSYFE-UHFFFAOYSA-N 1 2 296.371 -1.303 20 0 CAADLO CCCNC(=O)C[NH+]1CC(CNC(=O)[C@H]2COC(=O)N2)C1 ZINC001481622978 892614848 /nfs/dbraw/zinc/61/48/48/892614848.db2.gz HYDRARINHPBTIT-SNVBAGLBSA-N 1 2 298.343 -1.331 20 0 CAADLO CNC(=O)[C@H](C)[NH+]1CC(CNC(=O)Cc2nnc(C)[nH]2)C1 ZINC001481625188 892615034 /nfs/dbraw/zinc/61/50/34/892615034.db2.gz VAWXBOKJQTWAJI-QMMMGPOBSA-N 1 2 294.359 -1.162 20 0 CAADLO C[C@H]1CCCN(C(=O)C(=O)NCC2C[NH+](CC(N)=O)C2)C1 ZINC001481647842 892616012 /nfs/dbraw/zinc/61/60/12/892616012.db2.gz HTCYDRHGWRWQTO-JTQLQIEISA-N 1 2 296.371 -1.222 20 0 CAADLO C[C@H](C(N)=O)[NH+]1CC(CNC(=O)CCCCC(N)=O)C1 ZINC001481653822 892616856 /nfs/dbraw/zinc/61/68/56/892616856.db2.gz YOEQGBJIBHEGOR-SECBINFHSA-N 1 2 284.360 -1.046 20 0 CAADLO C[C@@H](C(N)=O)[NH+]1CC(CNC(=O)C[C@H]2CCN(C)C2=O)C1 ZINC001481632506 892616881 /nfs/dbraw/zinc/61/68/81/892616881.db2.gz HHKFYDKUEVVUIA-GXSJLCMTSA-N 1 2 296.371 -1.223 20 0 CAADLO NC(=O)C[NH+]1CC(CNC(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001481633948 892617150 /nfs/dbraw/zinc/61/71/50/892617150.db2.gz ICCDAEMYLFRTOT-UHFFFAOYSA-N 1 2 295.299 -2.518 20 0 CAADLO C[C@H](CC(N)=O)C(=O)NCC1C[NH+](CC(=O)N(C)C)C1 ZINC001481638250 892617488 /nfs/dbraw/zinc/61/74/88/892617488.db2.gz IXOZGQMNLZNNAR-SECBINFHSA-N 1 2 284.360 -1.366 20 0 CAADLO CN(C)C(=O)C[NH+]1CC(CNC(=O)[C@]2(C)CCC(=O)N2)C1 ZINC001481643989 892618186 /nfs/dbraw/zinc/61/81/86/892618186.db2.gz UTBYQGIEPIOWPI-AWEZNQCLSA-N 1 2 296.371 -1.209 20 0 CAADLO Cc1ccnn1CC(=O)NCC1C[NH+](CC(N)=O)C1 ZINC001481648159 892618206 /nfs/dbraw/zinc/61/82/06/892618206.db2.gz LONZAUOCBPTWIB-UHFFFAOYSA-N 1 2 265.317 -1.275 20 0 CAADLO CCNC(=O)C[NH+]1CC(CNC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001481644277 892618298 /nfs/dbraw/zinc/61/82/98/892618298.db2.gz FERPRGNNJAYLLU-ZJUUUORDSA-N 1 2 282.344 -1.708 20 0 CAADLO CCS(=O)(=O)CC(=O)NCC1C[NH+](CCO)C1 ZINC001481669216 892619835 /nfs/dbraw/zinc/61/98/35/892619835.db2.gz FCTOFHYNYSALSE-UHFFFAOYSA-N 1 2 264.347 -1.539 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)COCCOC)C1 ZINC001481686823 892620579 /nfs/dbraw/zinc/62/05/79/892620579.db2.gz HKPHZYUEEAISLX-JTQLQIEISA-N 1 2 273.333 -1.414 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)COCCOC)C1 ZINC001481686823 892620582 /nfs/dbraw/zinc/62/05/82/892620582.db2.gz HKPHZYUEEAISLX-JTQLQIEISA-N 1 2 273.333 -1.414 20 0 CAADLO CC[C@H](OC)C(=O)N[C@@H]1CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001481699403 892620950 /nfs/dbraw/zinc/62/09/50/892620950.db2.gz VXTQPMXPQKKMJS-BDAKNGLRSA-N 1 2 286.332 -1.203 20 0 CAADLO CC[C@H](OC)C(=O)N[C@@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001481699403 892620955 /nfs/dbraw/zinc/62/09/55/892620955.db2.gz VXTQPMXPQKKMJS-BDAKNGLRSA-N 1 2 286.332 -1.203 20 0 CAADLO CCS(=O)(=O)CC(=O)NCC1C[NH+](C[C@@H](C)O)C1 ZINC001481671700 892620968 /nfs/dbraw/zinc/62/09/68/892620968.db2.gz XSUJIZBGJOSKSR-SECBINFHSA-N 1 2 278.374 -1.150 20 0 CAADLO CC(C)C[C@H](C(N)=O)C(=O)NCC1C[NH+](CC(N)=O)C1 ZINC001481662871 892621313 /nfs/dbraw/zinc/62/13/13/892621313.db2.gz MWGLKIBKNCJQBB-SNVBAGLBSA-N 1 2 284.360 -1.333 20 0 CAADLO CCN(C(=O)C(N)=O)[C@@H]1CC[N@@H+]([C@H](C)C(=O)NC)C1 ZINC001481775584 892623402 /nfs/dbraw/zinc/62/34/02/892623402.db2.gz WYUVGXIWTUCLCW-RKDXNWHRSA-N 1 2 270.333 -1.471 20 0 CAADLO CCN(C(=O)C(N)=O)[C@@H]1CC[N@H+]([C@H](C)C(=O)NC)C1 ZINC001481775584 892623406 /nfs/dbraw/zinc/62/34/06/892623406.db2.gz WYUVGXIWTUCLCW-RKDXNWHRSA-N 1 2 270.333 -1.471 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)NCC2CC2)C1 ZINC001481743778 892623485 /nfs/dbraw/zinc/62/34/85/892623485.db2.gz QEZIEVDXFHIZSU-LLVKDONJSA-N 1 2 296.371 -1.209 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)C(=O)NCC2CC2)C1 ZINC001481743778 892623488 /nfs/dbraw/zinc/62/34/88/892623488.db2.gz QEZIEVDXFHIZSU-LLVKDONJSA-N 1 2 296.371 -1.209 20 0 CAADLO CN(C(=O)Cc1ncn[nH]1)[C@H]1CC[N@H+](CCOCCO)C1 ZINC001481747780 892623501 /nfs/dbraw/zinc/62/35/01/892623501.db2.gz SVKCSZJTNUHMDZ-NSHDSACASA-N 1 2 297.359 -1.111 20 0 CAADLO CN(C(=O)Cc1ncn[nH]1)[C@H]1CC[N@@H+](CCOCCO)C1 ZINC001481747780 892623503 /nfs/dbraw/zinc/62/35/03/892623503.db2.gz SVKCSZJTNUHMDZ-NSHDSACASA-N 1 2 297.359 -1.111 20 0 CAADLO CN(C(=O)CCc1nnc[nH]1)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001481719748 892623572 /nfs/dbraw/zinc/62/35/72/892623572.db2.gz KVDMVKWCEXBKDV-SECBINFHSA-N 1 2 280.332 -1.245 20 0 CAADLO CN(C(=O)CCc1nnc[nH]1)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001481719748 892623575 /nfs/dbraw/zinc/62/35/75/892623575.db2.gz KVDMVKWCEXBKDV-SECBINFHSA-N 1 2 280.332 -1.245 20 0 CAADLO C[C@@H](O)C[N@@H+]1CC[C@@H](N(C)C(=O)CS(C)(=O)=O)C1 ZINC001481715912 892623582 /nfs/dbraw/zinc/62/35/82/892623582.db2.gz BYHFLOGLZAADJO-NXEZZACHSA-N 1 2 278.374 -1.056 20 0 CAADLO C[C@@H](O)C[N@H+]1CC[C@@H](N(C)C(=O)CS(C)(=O)=O)C1 ZINC001481715912 892623584 /nfs/dbraw/zinc/62/35/84/892623584.db2.gz BYHFLOGLZAADJO-NXEZZACHSA-N 1 2 278.374 -1.056 20 0 CAADLO CN(CC1CC1)C(=O)C[N@@H+]1CC[C@H](N(C)C(=O)C(N)=O)C1 ZINC001481738499 892623793 /nfs/dbraw/zinc/62/37/93/892623793.db2.gz MROXVSKFDKEIKX-NSHDSACASA-N 1 2 296.371 -1.127 20 0 CAADLO CN(CC1CC1)C(=O)C[N@H+]1CC[C@H](N(C)C(=O)C(N)=O)C1 ZINC001481738499 892623798 /nfs/dbraw/zinc/62/37/98/892623798.db2.gz MROXVSKFDKEIKX-NSHDSACASA-N 1 2 296.371 -1.127 20 0 CAADLO Cn1ccc(C[N@@H+]2CC[C@@H](NC(=O)CC(N)=O)C2)n1 ZINC001481700235 892624160 /nfs/dbraw/zinc/62/41/60/892624160.db2.gz RRAYQUAAGAKCGP-SECBINFHSA-N 1 2 265.317 -1.014 20 0 CAADLO Cn1ccc(C[N@H+]2CC[C@@H](NC(=O)CC(N)=O)C2)n1 ZINC001481700235 892624169 /nfs/dbraw/zinc/62/41/69/892624169.db2.gz RRAYQUAAGAKCGP-SECBINFHSA-N 1 2 265.317 -1.014 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)NCC2CC2)C1 ZINC001481743557 892624594 /nfs/dbraw/zinc/62/45/94/892624594.db2.gz OIEHGTFKRBRVOA-MWLCHTKSSA-N 1 2 296.371 -1.081 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CC[C@@H](N(C)C(=O)C(=O)NCC2CC2)C1 ZINC001481743557 892624604 /nfs/dbraw/zinc/62/46/04/892624604.db2.gz OIEHGTFKRBRVOA-MWLCHTKSSA-N 1 2 296.371 -1.081 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)CC[C@@H]2NC(=O)NC2=O)C1 ZINC001481708707 892624727 /nfs/dbraw/zinc/62/47/27/892624727.db2.gz JJESLMCIUDHWKF-SFYZADRCSA-N 1 2 297.315 -2.350 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)CC[C@@H]2NC(=O)NC2=O)C1 ZINC001481708707 892624736 /nfs/dbraw/zinc/62/47/36/892624736.db2.gz JJESLMCIUDHWKF-SFYZADRCSA-N 1 2 297.315 -2.350 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)CC[C@H]2NC(=O)NC2=O)C1 ZINC001481708706 892624854 /nfs/dbraw/zinc/62/48/54/892624854.db2.gz JJESLMCIUDHWKF-HTQZYQBOSA-N 1 2 297.315 -2.350 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)CC[C@H]2NC(=O)NC2=O)C1 ZINC001481708706 892624861 /nfs/dbraw/zinc/62/48/61/892624861.db2.gz JJESLMCIUDHWKF-HTQZYQBOSA-N 1 2 297.315 -2.350 20 0 CAADLO CCN(C(=O)C(N)=O)[C@H]1CC[N@@H+]([C@@H](C)C(=O)NC)C1 ZINC001481775583 892624906 /nfs/dbraw/zinc/62/49/06/892624906.db2.gz WYUVGXIWTUCLCW-IUCAKERBSA-N 1 2 270.333 -1.471 20 0 CAADLO CCN(C(=O)C(N)=O)[C@H]1CC[N@H+]([C@@H](C)C(=O)NC)C1 ZINC001481775583 892624913 /nfs/dbraw/zinc/62/49/13/892624913.db2.gz WYUVGXIWTUCLCW-IUCAKERBSA-N 1 2 270.333 -1.471 20 0 CAADLO CN(C(=O)C1(C(N)=O)CC1)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001481737588 892625359 /nfs/dbraw/zinc/62/53/59/892625359.db2.gz ABFCJQMSJKTHGR-QMMMGPOBSA-N 1 2 268.317 -1.730 20 0 CAADLO CN(C(=O)C1(C(N)=O)CC1)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001481737588 892625365 /nfs/dbraw/zinc/62/53/65/892625365.db2.gz ABFCJQMSJKTHGR-QMMMGPOBSA-N 1 2 268.317 -1.730 20 0 CAADLO CCN(C(=O)C(N)=O)[C@H]1CC[N@@H+]([C@H](C)C(=O)NC)C1 ZINC001481775578 892625522 /nfs/dbraw/zinc/62/55/22/892625522.db2.gz WYUVGXIWTUCLCW-BDAKNGLRSA-N 1 2 270.333 -1.471 20 0 CAADLO CCN(C(=O)C(N)=O)[C@H]1CC[N@H+]([C@H](C)C(=O)NC)C1 ZINC001481775578 892625524 /nfs/dbraw/zinc/62/55/24/892625524.db2.gz WYUVGXIWTUCLCW-BDAKNGLRSA-N 1 2 270.333 -1.471 20 0 CAADLO CN(C(=O)CCc1nnc[nH]1)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001481719750 892625790 /nfs/dbraw/zinc/62/57/90/892625790.db2.gz KVDMVKWCEXBKDV-VIFPVBQESA-N 1 2 280.332 -1.245 20 0 CAADLO CN(C(=O)CCc1nnc[nH]1)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001481719750 892625795 /nfs/dbraw/zinc/62/57/95/892625795.db2.gz KVDMVKWCEXBKDV-VIFPVBQESA-N 1 2 280.332 -1.245 20 0 CAADLO CN(C(=O)C1(C(N)=O)CC1)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001481737581 892625804 /nfs/dbraw/zinc/62/58/04/892625804.db2.gz ABFCJQMSJKTHGR-MRVPVSSYSA-N 1 2 268.317 -1.730 20 0 CAADLO CN(C(=O)C1(C(N)=O)CC1)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001481737581 892625806 /nfs/dbraw/zinc/62/58/06/892625806.db2.gz ABFCJQMSJKTHGR-MRVPVSSYSA-N 1 2 268.317 -1.730 20 0 CAADLO CC[C@H](CNC(=O)c1cn(C)nn1)[NH2+]Cc1nnn(C)n1 ZINC001481808226 892627720 /nfs/dbraw/zinc/62/77/20/892627720.db2.gz STINYXPLRFMUDS-MRVPVSSYSA-N 1 2 293.335 -1.363 20 0 CAADLO CC[C@H](CNC(=O)c1ncn(C)n1)[NH2+]Cc1nnn(C)n1 ZINC001481807598 892628196 /nfs/dbraw/zinc/62/81/96/892628196.db2.gz LRNGACXBWOUDIN-MRVPVSSYSA-N 1 2 293.335 -1.363 20 0 CAADLO CC[C@H](CNC(=O)[C@H]1C[C@H]1C(N)=O)[NH2+]Cc1nnn(C)n1 ZINC001481851965 892632119 /nfs/dbraw/zinc/63/21/19/892632119.db2.gz LIEAPMVILCZDGA-HLTSFMKQSA-N 1 2 295.347 -1.684 20 0 CAADLO O=C(CN1CCOCC1)NC[C@H]1C[N@H+](CCO)CCO1 ZINC001482186205 892638591 /nfs/dbraw/zinc/63/85/91/892638591.db2.gz GHVCSEZZVMKIJM-LBPRGKRZSA-N 1 2 287.360 -1.872 20 0 CAADLO O=C(CN1CCOCC1)NC[C@H]1C[N@@H+](CCO)CCO1 ZINC001482186205 892638594 /nfs/dbraw/zinc/63/85/94/892638594.db2.gz GHVCSEZZVMKIJM-LBPRGKRZSA-N 1 2 287.360 -1.872 20 0 CAADLO O=C(NC[C@@H]1C[N@H+](CCOCCO)CCO1)c1cn[nH]c1 ZINC001482180942 892638771 /nfs/dbraw/zinc/63/87/71/892638771.db2.gz JUQJUXHZWLXKRL-GFCCVEGCSA-N 1 2 298.343 -1.151 20 0 CAADLO O=C(NC[C@@H]1C[N@@H+](CCOCCO)CCO1)c1cn[nH]c1 ZINC001482180942 892638776 /nfs/dbraw/zinc/63/87/76/892638776.db2.gz JUQJUXHZWLXKRL-GFCCVEGCSA-N 1 2 298.343 -1.151 20 0 CAADLO C[C@H](CNC(=O)Cc1nc[nH]n1)C[NH2+]Cc1nnn(C)n1 ZINC001482157349 892639096 /nfs/dbraw/zinc/63/90/96/892639096.db2.gz HCGFONYRXWBANU-QMMMGPOBSA-N 1 2 293.335 -1.587 20 0 CAADLO CCOCC[N@@H+]1CCO[C@H](CNC(=O)CNC(C)=O)C1 ZINC001482177693 892639421 /nfs/dbraw/zinc/63/94/21/892639421.db2.gz AYZMLKOJUFIGRR-GFCCVEGCSA-N 1 2 287.360 -1.024 20 0 CAADLO CCOCC[N@H+]1CCO[C@H](CNC(=O)CNC(C)=O)C1 ZINC001482177693 892639428 /nfs/dbraw/zinc/63/94/28/892639428.db2.gz AYZMLKOJUFIGRR-GFCCVEGCSA-N 1 2 287.360 -1.024 20 0 CAADLO O=C(CCCn1cncn1)NC[C@@H]1C[N@H+](CCO)CCO1 ZINC001482202714 892641949 /nfs/dbraw/zinc/64/19/49/892641949.db2.gz LAYJQZLAYPPEIF-GFCCVEGCSA-N 1 2 297.359 -1.132 20 0 CAADLO O=C(CCCn1cncn1)NC[C@@H]1C[N@@H+](CCO)CCO1 ZINC001482202714 892641955 /nfs/dbraw/zinc/64/19/55/892641955.db2.gz LAYJQZLAYPPEIF-GFCCVEGCSA-N 1 2 297.359 -1.132 20 0 CAADLO COCC[N@@H+]1CCO[C@H](CNC(=O)[C@@]2(C)CCNC2=O)C1 ZINC001482200188 892642147 /nfs/dbraw/zinc/64/21/47/892642147.db2.gz RNCLWHRSHWULIN-RISCZKNCSA-N 1 2 299.371 -1.024 20 0 CAADLO COCC[N@H+]1CCO[C@H](CNC(=O)[C@@]2(C)CCNC2=O)C1 ZINC001482200188 892642154 /nfs/dbraw/zinc/64/21/54/892642154.db2.gz RNCLWHRSHWULIN-RISCZKNCSA-N 1 2 299.371 -1.024 20 0 CAADLO NC(=O)C(=O)NC[C@@H]1C[N@H+](CCn2cncn2)CCO1 ZINC001482199917 892642351 /nfs/dbraw/zinc/64/23/51/892642351.db2.gz UIGWIIAAABCSQI-SECBINFHSA-N 1 2 282.304 -2.420 20 0 CAADLO NC(=O)C(=O)NC[C@@H]1C[N@@H+](CCn2cncn2)CCO1 ZINC001482199917 892642358 /nfs/dbraw/zinc/64/23/58/892642358.db2.gz UIGWIIAAABCSQI-SECBINFHSA-N 1 2 282.304 -2.420 20 0 CAADLO Cn1ccc(CC(=O)NC[C@H]2C[N@H+](CCO)CCO2)n1 ZINC001482193594 892642790 /nfs/dbraw/zinc/64/27/90/892642790.db2.gz XSADLRPZPKMKOL-LBPRGKRZSA-N 1 2 282.344 -1.228 20 0 CAADLO Cn1ccc(CC(=O)NC[C@H]2C[N@@H+](CCO)CCO2)n1 ZINC001482193594 892642797 /nfs/dbraw/zinc/64/27/97/892642797.db2.gz XSADLRPZPKMKOL-LBPRGKRZSA-N 1 2 282.344 -1.228 20 0 CAADLO Cc1nnc(CC(=O)NC[C@@H]2C[N@H+](CCO)CCO2)[nH]1 ZINC001482193757 892643066 /nfs/dbraw/zinc/64/30/66/892643066.db2.gz ZFDLKKUYHQPRRS-SNVBAGLBSA-N 1 2 283.332 -1.535 20 0 CAADLO Cc1nnc(CC(=O)NC[C@@H]2C[N@@H+](CCO)CCO2)[nH]1 ZINC001482193757 892643073 /nfs/dbraw/zinc/64/30/73/892643073.db2.gz ZFDLKKUYHQPRRS-SNVBAGLBSA-N 1 2 283.332 -1.535 20 0 CAADLO COCC[N@@H+]1CCO[C@H](CNC(=O)Cc2nc[nH]n2)C1 ZINC001482204251 892643526 /nfs/dbraw/zinc/64/35/26/892643526.db2.gz YWSBYKCFQHLEHT-SNVBAGLBSA-N 1 2 283.332 -1.189 20 0 CAADLO COCC[N@H+]1CCO[C@H](CNC(=O)Cc2nc[nH]n2)C1 ZINC001482204251 892643529 /nfs/dbraw/zinc/64/35/29/892643529.db2.gz YWSBYKCFQHLEHT-SNVBAGLBSA-N 1 2 283.332 -1.189 20 0 CAADLO CCCn1nnnc1C[NH2+]C[C@@H](C)N(C)C(=O)C(N)=O ZINC001482326143 892646142 /nfs/dbraw/zinc/64/61/42/892646142.db2.gz KBRDXRMHOKFQFG-MRVPVSSYSA-N 1 2 283.336 -1.495 20 0 CAADLO C[C@@H](C[NH2+]Cc1csnn1)N(C)C(=O)C(N)=O ZINC001482326065 892646536 /nfs/dbraw/zinc/64/65/36/892646536.db2.gz POQIOIWQTQEEGO-LURJTMIESA-N 1 2 257.319 -1.040 20 0 CAADLO CNC(=O)C[N@H+](C)CCN(C)C(=O)Cn1ncnn1 ZINC001482599637 892651722 /nfs/dbraw/zinc/65/17/22/892651722.db2.gz XDMRVPFHQGLYQA-UHFFFAOYSA-N 1 2 269.309 -2.191 20 0 CAADLO CNC(=O)C[N@@H+](C)CCN(C)C(=O)Cn1ncnn1 ZINC001482599637 892651728 /nfs/dbraw/zinc/65/17/28/892651728.db2.gz XDMRVPFHQGLYQA-UHFFFAOYSA-N 1 2 269.309 -2.191 20 0 CAADLO CN(CC[N@H+](C)CC(N)=O)C(=O)CN1CCNC(=O)C1 ZINC001482617976 892652650 /nfs/dbraw/zinc/65/26/50/892652650.db2.gz YKXUSZOJUIHPHJ-UHFFFAOYSA-N 1 2 285.348 -2.706 20 0 CAADLO CN(CC[N@@H+](C)CC(N)=O)C(=O)CN1CCNC(=O)C1 ZINC001482617976 892652654 /nfs/dbraw/zinc/65/26/54/892652654.db2.gz YKXUSZOJUIHPHJ-UHFFFAOYSA-N 1 2 285.348 -2.706 20 0 CAADLO CN(CC[N@H+](C)CC(N)=O)C(=O)CN1CCOCC1=O ZINC001482603038 892653633 /nfs/dbraw/zinc/65/36/33/892653633.db2.gz QXSXCXYMRQVVMU-UHFFFAOYSA-N 1 2 286.332 -2.279 20 0 CAADLO CN(CC[N@@H+](C)CC(N)=O)C(=O)CN1CCOCC1=O ZINC001482603038 892653640 /nfs/dbraw/zinc/65/36/40/892653640.db2.gz QXSXCXYMRQVVMU-UHFFFAOYSA-N 1 2 286.332 -2.279 20 0 CAADLO CCNC(=O)C[N@H+](C)CCN(C)C(=O)c1cn[nH]n1 ZINC001482609768 892653878 /nfs/dbraw/zinc/65/38/78/892653878.db2.gz FNILWNZJUOUBFX-UHFFFAOYSA-N 1 2 268.321 -1.055 20 0 CAADLO CCNC(=O)C[N@@H+](C)CCN(C)C(=O)c1cn[nH]n1 ZINC001482609768 892653880 /nfs/dbraw/zinc/65/38/80/892653880.db2.gz FNILWNZJUOUBFX-UHFFFAOYSA-N 1 2 268.321 -1.055 20 0 CAADLO CCN1CCOC[C@H]1C(=O)N(C)CC[N@H+](C)CC(N)=O ZINC001482608945 892654067 /nfs/dbraw/zinc/65/40/67/892654067.db2.gz YYMUADRTZYLEFS-NSHDSACASA-N 1 2 286.376 -1.417 20 0 CAADLO CCN1CCOC[C@H]1C(=O)N(C)CC[N@@H+](C)CC(N)=O ZINC001482608945 892654073 /nfs/dbraw/zinc/65/40/73/892654073.db2.gz YYMUADRTZYLEFS-NSHDSACASA-N 1 2 286.376 -1.417 20 0 CAADLO CN(CC[N@H+](C)CC(=O)NC1CC1)C(=O)[C@@H]1COC(=O)N1 ZINC001482593357 892654464 /nfs/dbraw/zinc/65/44/64/892654464.db2.gz IJKHIFRYFOHJPX-JTQLQIEISA-N 1 2 298.343 -1.236 20 0 CAADLO CN(CC[N@@H+](C)CC(=O)NC1CC1)C(=O)[C@@H]1COC(=O)N1 ZINC001482593357 892654470 /nfs/dbraw/zinc/65/44/70/892654470.db2.gz IJKHIFRYFOHJPX-JTQLQIEISA-N 1 2 298.343 -1.236 20 0 CAADLO CN(CC[N@H+](C)CC(N)=O)C(=O)Cc1cncn1C ZINC001482642611 892655561 /nfs/dbraw/zinc/65/55/61/892655561.db2.gz NCFNEULXNSYEHM-UHFFFAOYSA-N 1 2 267.333 -1.162 20 0 CAADLO CN(CC[N@@H+](C)CC(N)=O)C(=O)Cc1cncn1C ZINC001482642611 892655572 /nfs/dbraw/zinc/65/55/72/892655572.db2.gz NCFNEULXNSYEHM-UHFFFAOYSA-N 1 2 267.333 -1.162 20 0 CAADLO CNC(=O)C[N@H+](C)CCN(C)C(=O)CN1C(=O)CCC1=O ZINC001482647534 892656255 /nfs/dbraw/zinc/65/62/55/892656255.db2.gz LNXLECZNBRQSMO-UHFFFAOYSA-N 1 2 298.343 -1.728 20 0 CAADLO CNC(=O)C[N@@H+](C)CCN(C)C(=O)CN1C(=O)CCC1=O ZINC001482647534 892656266 /nfs/dbraw/zinc/65/62/66/892656266.db2.gz LNXLECZNBRQSMO-UHFFFAOYSA-N 1 2 298.343 -1.728 20 0 CAADLO CNC(=O)C[N@H+](C)CCN(C)C(=O)[C@]1(C)CCC(=O)N1 ZINC001482625585 892656843 /nfs/dbraw/zinc/65/68/43/892656843.db2.gz APOBUUPHHDMFCP-ZDUSSCGKSA-N 1 2 284.360 -1.209 20 0 CAADLO CNC(=O)C[N@@H+](C)CCN(C)C(=O)[C@]1(C)CCC(=O)N1 ZINC001482625585 892656854 /nfs/dbraw/zinc/65/68/54/892656854.db2.gz APOBUUPHHDMFCP-ZDUSSCGKSA-N 1 2 284.360 -1.209 20 0 CAADLO CCNC(=O)C[N@H+](C)CCN(C)C(=O)CCNC(N)=O ZINC001482647501 892656901 /nfs/dbraw/zinc/65/69/01/892656901.db2.gz KPAMKZMVPFXRIF-UHFFFAOYSA-N 1 2 287.364 -1.429 20 0 CAADLO CCNC(=O)C[N@@H+](C)CCN(C)C(=O)CCNC(N)=O ZINC001482647501 892656904 /nfs/dbraw/zinc/65/69/04/892656904.db2.gz KPAMKZMVPFXRIF-UHFFFAOYSA-N 1 2 287.364 -1.429 20 0 CAADLO CCNC(=O)C[N@H+](C)CCN(C)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001482628193 892657321 /nfs/dbraw/zinc/65/73/21/892657321.db2.gz HXHMRHXWDPMKHB-ZJUUUORDSA-N 1 2 284.360 -1.366 20 0 CAADLO CCNC(=O)C[N@@H+](C)CCN(C)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001482628193 892657328 /nfs/dbraw/zinc/65/73/28/892657328.db2.gz HXHMRHXWDPMKHB-ZJUUUORDSA-N 1 2 284.360 -1.366 20 0 CAADLO CN(CC[N@H+](C)Cc1ccn(C)n1)C(=O)[C@H]1CNC(=O)N1 ZINC001482621787 892658233 /nfs/dbraw/zinc/65/82/33/892658233.db2.gz ASURKBCPMUUDPN-LLVKDONJSA-N 1 2 294.359 -1.008 20 0 CAADLO CN(CC[N@@H+](C)Cc1ccn(C)n1)C(=O)[C@H]1CNC(=O)N1 ZINC001482621787 892658238 /nfs/dbraw/zinc/65/82/38/892658238.db2.gz ASURKBCPMUUDPN-LLVKDONJSA-N 1 2 294.359 -1.008 20 0 CAADLO CCS(=O)(=O)NCC[N@H+](C)CCN(C)C(=O)C(N)=O ZINC001482624130 892658331 /nfs/dbraw/zinc/65/83/31/892658331.db2.gz ICDTXQWNJNSIDR-UHFFFAOYSA-N 1 2 294.377 -2.199 20 0 CAADLO CCS(=O)(=O)NCC[N@@H+](C)CCN(C)C(=O)C(N)=O ZINC001482624130 892658335 /nfs/dbraw/zinc/65/83/35/892658335.db2.gz ICDTXQWNJNSIDR-UHFFFAOYSA-N 1 2 294.377 -2.199 20 0 CAADLO CC(=O)NCC(=O)NC[C@@H](O)C[NH2+][C@@H](C)c1nc(C)no1 ZINC001482701972 892660194 /nfs/dbraw/zinc/66/01/94/892660194.db2.gz JYXRQGSXSIYKKC-XVKPBYJWSA-N 1 2 299.331 -1.358 20 0 CAADLO CC(=O)N[C@H](C)C(=O)NC[C@H](O)C[NH2+]Cc1nnc(C)o1 ZINC001482706048 892663987 /nfs/dbraw/zinc/66/39/87/892663987.db2.gz RILDYELHJDJMLC-GMSGAONNSA-N 1 2 299.331 -1.531 20 0 CAADLO CC(=O)N[C@@H](C)C(=O)NC[C@H](O)C[NH2+]Cc1nnc(C)o1 ZINC001482706049 892664566 /nfs/dbraw/zinc/66/45/66/892664566.db2.gz RILDYELHJDJMLC-OIBJUYFYSA-N 1 2 299.331 -1.531 20 0 CAADLO Cc1noc(C[NH2+]C[C@@H](O)CNC(=O)[C@H]2COC(=O)N2)n1 ZINC001482725258 892674955 /nfs/dbraw/zinc/67/49/55/892674955.db2.gz UFOGJWHOHQDWCM-HTQZYQBOSA-N 1 2 299.287 -1.947 20 0 CAADLO O=C(NC[C@H](O)C[NH2+]Cc1ccon1)c1cn[nH]n1 ZINC001482744818 892685599 /nfs/dbraw/zinc/68/55/99/892685599.db2.gz CYDICBDFZXKBOE-MRVPVSSYSA-N 1 2 266.261 -1.327 20 0 CAADLO O=C(NC[C@H](O)C[NH2+]Cc1ccon1)c1cnn[nH]1 ZINC001482744818 892685604 /nfs/dbraw/zinc/68/56/04/892685604.db2.gz CYDICBDFZXKBOE-MRVPVSSYSA-N 1 2 266.261 -1.327 20 0 CAADLO Cn1ccnc1C[NH2+]C[C@@H](O)CNC(=O)c1cn[nH]n1 ZINC001482745700 892686990 /nfs/dbraw/zinc/68/69/90/892686990.db2.gz VMJVAQVGYHWBIX-MRVPVSSYSA-N 1 2 279.304 -1.581 20 0 CAADLO Cn1ccnc1C[NH2+]C[C@@H](O)CNC(=O)c1cnn[nH]1 ZINC001482745700 892686993 /nfs/dbraw/zinc/68/69/93/892686993.db2.gz VMJVAQVGYHWBIX-MRVPVSSYSA-N 1 2 279.304 -1.581 20 0 CAADLO Cc1nnc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2CCNC2=O)o1 ZINC001482758165 892689671 /nfs/dbraw/zinc/68/96/71/892689671.db2.gz XPLMVKWKVFDCNJ-RKDXNWHRSA-N 1 2 297.315 -1.919 20 0 CAADLO Cn1ncc(C[NH2+]C[C@H](O)CNC(=O)c2nnc[nH]2)n1 ZINC001482779127 892699072 /nfs/dbraw/zinc/69/90/72/892699072.db2.gz WCHZYBUDTLVIRC-QMMMGPOBSA-N 1 2 280.292 -2.186 20 0 CAADLO Cn1nnnc1C[NH2+]C/C=C\CNC(=O)[C@@H]1COCCO1 ZINC001482981938 892717242 /nfs/dbraw/zinc/71/72/42/892717242.db2.gz UYSXVCAOIVRZJI-ZMWSMAPVSA-N 1 2 296.331 -1.613 20 0 CAADLO Cn1nnnc1C[NH2+]C/C=C/CNC(=O)[C@H]1COCCO1 ZINC001482981937 892717530 /nfs/dbraw/zinc/71/75/30/892717530.db2.gz UYSXVCAOIVRZJI-VMZHVLLKSA-N 1 2 296.331 -1.613 20 0 CAADLO CCN(CC[NH2+][C@H]1CCNC1=O)C(=O)Cc1ncn[nH]1 ZINC001482961440 892719027 /nfs/dbraw/zinc/71/90/27/892719027.db2.gz HUYPZGZYCOPTMB-VIFPVBQESA-N 1 2 280.332 -1.326 20 0 CAADLO CCC(=O)NCC(=O)NC/C=C/C[NH2+]Cc1nnnn1C ZINC001482990930 892721010 /nfs/dbraw/zinc/72/10/10/892721010.db2.gz JZBWSOBIGVYJEU-SNAWJCMRSA-N 1 2 295.347 -1.502 20 0 CAADLO Cn1ncnc1C[NH2+]C/C=C\CNC(=O)CC(N)=O ZINC001482993454 892721746 /nfs/dbraw/zinc/72/17/46/892721746.db2.gz KUNNQRNGQPDTBY-IHWYPQMZSA-N 1 2 266.305 -1.548 20 0 CAADLO Cn1ncnc1C[NH2+]C/C=C/CNC(=O)CC(N)=O ZINC001482993455 892723403 /nfs/dbraw/zinc/72/34/03/892723403.db2.gz KUNNQRNGQPDTBY-NSCUHMNNSA-N 1 2 266.305 -1.548 20 0 CAADLO CCn1ncc(C[NH2+]C/C=C\CNC(=O)C(N)=O)n1 ZINC001483052127 892726640 /nfs/dbraw/zinc/72/66/40/892726640.db2.gz JJROGXMPLSZXLY-ARJAWSKDSA-N 1 2 266.305 -1.455 20 0 CAADLO Cn1nnnc1C[NH2+]C/C=C\CNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001483060846 892726699 /nfs/dbraw/zinc/72/66/99/892726699.db2.gz PNCICVBZRFQPBL-HVSMVGKISA-N 1 2 293.331 -1.907 20 0 CAADLO Cn1nnnc1C[NH2+]C/C=C/CNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001483060845 892726744 /nfs/dbraw/zinc/72/67/44/892726744.db2.gz PNCICVBZRFQPBL-ALCGYSGWSA-N 1 2 293.331 -1.907 20 0 CAADLO Cn1nnnc1C[NH2+]C/C=C/CNC(=O)Cn1cncn1 ZINC001483090896 892728125 /nfs/dbraw/zinc/72/81/25/892728125.db2.gz FWJNWGLKZPZIDV-NSCUHMNNSA-N 1 2 291.319 -1.736 20 0 CAADLO Cn1nnnc1C[NH2+]C/C=C\CNC(=O)Cn1cncn1 ZINC001483090895 892728814 /nfs/dbraw/zinc/72/88/14/892728814.db2.gz FWJNWGLKZPZIDV-IHWYPQMZSA-N 1 2 291.319 -1.736 20 0 CAADLO Cn1ncc(C[NH2+]C/C=C/CNC(=O)[C@@H]2CCC(=O)N2)n1 ZINC001483085562 892729900 /nfs/dbraw/zinc/72/99/00/892729900.db2.gz AMWRTSAAOPLNLI-VUDBWIFFSA-N 1 2 292.343 -1.144 20 0 CAADLO Cc1nn[nH]c1C(=O)N[C@H](C)C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001483154813 892736879 /nfs/dbraw/zinc/73/68/79/892736879.db2.gz HETUGGJIQAFPHN-ZCFIWIBFSA-N 1 2 294.319 -1.557 20 0 CAADLO COCc1noc(C[NH2+]C[C@H](C)NC(=O)CNC(C)=O)n1 ZINC001483204656 892740819 /nfs/dbraw/zinc/74/08/19/892740819.db2.gz HVTGFJPAEUBNJT-QMMMGPOBSA-N 1 2 299.331 -1.054 20 0 CAADLO C[C@H](C[NH2+]Cc1nnnn1C)NC(=O)CCc1cn[nH]n1 ZINC001483167881 892741088 /nfs/dbraw/zinc/74/10/88/892741088.db2.gz DLMGGXJZMQMNIF-MRVPVSSYSA-N 1 2 293.335 -1.445 20 0 CAADLO C[C@H](C[NH2+]Cc1nnnn1C)NC(=O)CCc1c[nH]nn1 ZINC001483167881 892741098 /nfs/dbraw/zinc/74/10/98/892741098.db2.gz DLMGGXJZMQMNIF-MRVPVSSYSA-N 1 2 293.335 -1.445 20 0 CAADLO Cc1nnc(C[NH2+]C[C@H](C)NC(=O)Cn2ncnn2)o1 ZINC001483228979 892742987 /nfs/dbraw/zinc/74/29/87/892742987.db2.gz UOKKNQAZWNJKMF-ZETCQYMHSA-N 1 2 280.292 -1.341 20 0 CAADLO Cc1nnc(C[NH2+]C[C@H](C)NC(=O)c2nnn(C)n2)o1 ZINC001483257276 892747297 /nfs/dbraw/zinc/74/72/97/892747297.db2.gz ROLSFSPHLPAVNM-LURJTMIESA-N 1 2 280.292 -1.190 20 0 CAADLO C[C@@H](C[NH2+]Cc1cnsn1)NC(=O)c1nnn(C)n1 ZINC001483256967 892747907 /nfs/dbraw/zinc/74/79/07/892747907.db2.gz KRJWZRSFMBGLCK-LURJTMIESA-N 1 2 282.333 -1.030 20 0 CAADLO CNC(=O)NCC(=O)N[C@@H](C)C[NH2+]Cc1nc(C)no1 ZINC001483233019 892749264 /nfs/dbraw/zinc/74/92/64/892749264.db2.gz MJBLQICFXRRZQO-ZETCQYMHSA-N 1 2 284.320 -1.099 20 0 CAADLO C[C@@H](C[NH2+]Cc1nc(=O)n(C)[nH]1)NC(=O)C(N)=O ZINC001483262398 892751620 /nfs/dbraw/zinc/75/16/20/892751620.db2.gz NHAJBWHZMCVSAG-YFKPBYRVSA-N 1 2 256.266 -2.812 20 0 CAADLO C[C@@H](C[NH2+]Cc1cn(C)nn1)NC(=O)Cc1nnc[nH]1 ZINC001483283874 892752119 /nfs/dbraw/zinc/75/21/19/892752119.db2.gz RSAWFMVRTZVIBN-QMMMGPOBSA-N 1 2 278.320 -1.230 20 0 CAADLO C[C@@H](C[NH2+]Cc1nc(=O)n(C)[nH]1)NC(=O)Cc1ncc[nH]1 ZINC001483277934 892752362 /nfs/dbraw/zinc/75/23/62/892752362.db2.gz LJUGBKUSEHCYBM-QMMMGPOBSA-N 1 2 293.331 -1.332 20 0 CAADLO CCC(=O)N[C@H](C)C[N@H+](C)CC(=O)N1CCNC(=O)C1 ZINC001483302900 892757208 /nfs/dbraw/zinc/75/72/08/892757208.db2.gz GFKLFPYSDVZOTG-SNVBAGLBSA-N 1 2 284.360 -1.209 20 0 CAADLO CCC(=O)N[C@H](C)C[N@@H+](C)CC(=O)N1CCNC(=O)C1 ZINC001483302900 892757213 /nfs/dbraw/zinc/75/72/13/892757213.db2.gz GFKLFPYSDVZOTG-SNVBAGLBSA-N 1 2 284.360 -1.209 20 0 CAADLO CNC(=O)NC(=O)C[N@H+](C)C[C@H](C)NC(=O)c1nnc[nH]1 ZINC001483398220 892759616 /nfs/dbraw/zinc/75/96/16/892759616.db2.gz QQMRAOHIOLURBD-ZETCQYMHSA-N 1 2 297.319 -1.690 20 0 CAADLO CNC(=O)NC(=O)C[N@@H+](C)C[C@H](C)NC(=O)c1nnc[nH]1 ZINC001483398220 892759627 /nfs/dbraw/zinc/75/96/27/892759627.db2.gz QQMRAOHIOLURBD-ZETCQYMHSA-N 1 2 297.319 -1.690 20 0 CAADLO CC(C)NC(=O)C[N@H+](C)C[C@H](C)NC(=O)C(N)=O ZINC001483382537 892760030 /nfs/dbraw/zinc/76/00/30/892760030.db2.gz TUIURENYCGBBDZ-QMMMGPOBSA-N 1 2 258.322 -1.567 20 0 CAADLO CC(C)NC(=O)C[N@@H+](C)C[C@H](C)NC(=O)C(N)=O ZINC001483382537 892760040 /nfs/dbraw/zinc/76/00/40/892760040.db2.gz TUIURENYCGBBDZ-QMMMGPOBSA-N 1 2 258.322 -1.567 20 0 CAADLO CCOCCNC(=O)C[N@H+](C)C[C@H](C)NC(=O)C(N)=O ZINC001483380323 892760887 /nfs/dbraw/zinc/76/08/87/892760887.db2.gz BEYMTOOBJLAXBC-VIFPVBQESA-N 1 2 288.348 -1.939 20 0 CAADLO CCOCCNC(=O)C[N@@H+](C)C[C@H](C)NC(=O)C(N)=O ZINC001483380323 892760895 /nfs/dbraw/zinc/76/08/95/892760895.db2.gz BEYMTOOBJLAXBC-VIFPVBQESA-N 1 2 288.348 -1.939 20 0 CAADLO CC(C)NC(=O)C[N@H+](C)C[C@@H](C)NC(=O)C(N)=O ZINC001483382536 892762207 /nfs/dbraw/zinc/76/22/07/892762207.db2.gz TUIURENYCGBBDZ-MRVPVSSYSA-N 1 2 258.322 -1.567 20 0 CAADLO CC(C)NC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)C(N)=O ZINC001483382536 892762214 /nfs/dbraw/zinc/76/22/14/892762214.db2.gz TUIURENYCGBBDZ-MRVPVSSYSA-N 1 2 258.322 -1.567 20 0 CAADLO CN(CCC[NH2+]Cc1nnn(C)n1)C(=O)[C@@H]1COCCO1 ZINC001483453976 892764101 /nfs/dbraw/zinc/76/41/01/892764101.db2.gz MRLVELJIZVDLEV-JTQLQIEISA-N 1 2 298.347 -1.436 20 0 CAADLO CN(CCC[NH2+]Cc1nnn(C)n1)C(=O)[C@@H]1COC(=O)N1 ZINC001483463413 892765103 /nfs/dbraw/zinc/76/51/03/892765103.db2.gz GNGXRNKBCVUMLG-QMMMGPOBSA-N 1 2 297.319 -1.743 20 0 CAADLO Cc1noc(C[NH2+]C[C@@H](NC(=O)C(N)=O)C2CC2)n1 ZINC001483584204 892769641 /nfs/dbraw/zinc/76/96/41/892769641.db2.gz UPSDXVQOGOSTHU-MRVPVSSYSA-N 1 2 267.289 -1.152 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+]1CC[C@@H]1CNC(=O)CCn1cncn1 ZINC001483628613 892772787 /nfs/dbraw/zinc/77/27/87/892772787.db2.gz FVXMREWZYWGBBN-GHMZBOCLSA-N 1 2 294.359 -1.007 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+]1CC[C@@H]1CNC(=O)CCn1cncn1 ZINC001483628613 892772791 /nfs/dbraw/zinc/77/27/91/892772791.db2.gz FVXMREWZYWGBBN-GHMZBOCLSA-N 1 2 294.359 -1.007 20 0 CAADLO O=C(CCn1cncn1)NC[C@H]1CC[N@@H+]1[C@H]1CCNC1=O ZINC001483629347 892772827 /nfs/dbraw/zinc/77/28/27/892772827.db2.gz KGUWQZKSBIZEMC-MNOVXSKESA-N 1 2 292.343 -1.253 20 0 CAADLO O=C(CCn1cncn1)NC[C@H]1CC[N@H+]1[C@H]1CCNC1=O ZINC001483629347 892772832 /nfs/dbraw/zinc/77/28/32/892772832.db2.gz KGUWQZKSBIZEMC-MNOVXSKESA-N 1 2 292.343 -1.253 20 0 CAADLO CC(C)NC(=O)C[N@@H+]1CC[C@H]1CNC(=O)CC(N)=O ZINC001483637819 892772891 /nfs/dbraw/zinc/77/28/91/892772891.db2.gz BYUSMQZAQHZEAP-VIFPVBQESA-N 1 2 270.333 -1.423 20 0 CAADLO CC(C)NC(=O)C[N@H+]1CC[C@H]1CNC(=O)CC(N)=O ZINC001483637819 892772896 /nfs/dbraw/zinc/77/28/96/892772896.db2.gz BYUSMQZAQHZEAP-VIFPVBQESA-N 1 2 270.333 -1.423 20 0 CAADLO COC(=O)NCC(=O)NC[C@@H]1CC[N@@H+]1[C@H]1CCCNC1=O ZINC001483634325 892773053 /nfs/dbraw/zinc/77/30/53/892773053.db2.gz ROKLSSAOKVGSRO-UWVGGRQHSA-N 1 2 298.343 -1.189 20 0 CAADLO COC(=O)NCC(=O)NC[C@@H]1CC[N@H+]1[C@H]1CCCNC1=O ZINC001483634325 892773057 /nfs/dbraw/zinc/77/30/57/892773057.db2.gz ROKLSSAOKVGSRO-UWVGGRQHSA-N 1 2 298.343 -1.189 20 0 CAADLO CCC(=O)NCC(=O)NC[C@@H]1CC[N@@H+]1[C@H]1CCCNC1=O ZINC001483640471 892773142 /nfs/dbraw/zinc/77/31/42/892773142.db2.gz QPJFAROPYPFFFY-QWRGUYRKSA-N 1 2 296.371 -1.018 20 0 CAADLO CCC(=O)NCC(=O)NC[C@@H]1CC[N@H+]1[C@H]1CCCNC1=O ZINC001483640471 892773150 /nfs/dbraw/zinc/77/31/50/892773150.db2.gz QPJFAROPYPFFFY-QWRGUYRKSA-N 1 2 296.371 -1.018 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+]1CC[C@@H]1CNC(=O)CCn1cncn1 ZINC001483628620 892773311 /nfs/dbraw/zinc/77/33/11/892773311.db2.gz FVXMREWZYWGBBN-WDEREUQCSA-N 1 2 294.359 -1.007 20 0 CAADLO CNC(=O)[C@H](C)[N@H+]1CC[C@@H]1CNC(=O)CCn1cncn1 ZINC001483628620 892773320 /nfs/dbraw/zinc/77/33/20/892773320.db2.gz FVXMREWZYWGBBN-WDEREUQCSA-N 1 2 294.359 -1.007 20 0 CAADLO CCC(=O)NCC(=O)NC[C@H]1CC[N@@H+]1[C@H](C)C(=O)NC ZINC001483638982 892773403 /nfs/dbraw/zinc/77/34/03/892773403.db2.gz DAHZKWUYTIXNKS-NXEZZACHSA-N 1 2 284.360 -1.162 20 0 CAADLO CCC(=O)NCC(=O)NC[C@H]1CC[N@H+]1[C@H](C)C(=O)NC ZINC001483638982 892773412 /nfs/dbraw/zinc/77/34/12/892773412.db2.gz DAHZKWUYTIXNKS-NXEZZACHSA-N 1 2 284.360 -1.162 20 0 CAADLO CCC(=O)NCC(=O)NC[C@H]1CC[N@@H+]1[C@H](C)C(N)=O ZINC001483639120 892773550 /nfs/dbraw/zinc/77/35/50/892773550.db2.gz DLXQPSXUKCOAAP-RKDXNWHRSA-N 1 2 270.333 -1.423 20 0 CAADLO CCC(=O)NCC(=O)NC[C@H]1CC[N@H+]1[C@H](C)C(N)=O ZINC001483639120 892773564 /nfs/dbraw/zinc/77/35/64/892773564.db2.gz DLXQPSXUKCOAAP-RKDXNWHRSA-N 1 2 270.333 -1.423 20 0 CAADLO O=C(Cn1cccn1)NC[C@H]1CC[N@@H+]1[C@H]1CCNC1=O ZINC001483630019 892773679 /nfs/dbraw/zinc/77/36/79/892773679.db2.gz SEDYTQLBRKTGNI-MNOVXSKESA-N 1 2 277.328 -1.038 20 0 CAADLO O=C(Cn1cccn1)NC[C@H]1CC[N@H+]1[C@H]1CCNC1=O ZINC001483630019 892773687 /nfs/dbraw/zinc/77/36/87/892773687.db2.gz SEDYTQLBRKTGNI-MNOVXSKESA-N 1 2 277.328 -1.038 20 0 CAADLO CCC(=O)NCC(=O)NC[C@H]1CC[N@@H+]1[C@@H](C)C(=O)NC ZINC001483639038 892774216 /nfs/dbraw/zinc/77/42/16/892774216.db2.gz DAHZKWUYTIXNKS-VHSXEESVSA-N 1 2 284.360 -1.162 20 0 CAADLO CCC(=O)NCC(=O)NC[C@H]1CC[N@H+]1[C@@H](C)C(=O)NC ZINC001483639038 892774231 /nfs/dbraw/zinc/77/42/31/892774231.db2.gz DAHZKWUYTIXNKS-VHSXEESVSA-N 1 2 284.360 -1.162 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+]1CC[C@H]1CNC(=O)CCn1cncn1 ZINC001483628617 892774697 /nfs/dbraw/zinc/77/46/97/892774697.db2.gz FVXMREWZYWGBBN-QWRGUYRKSA-N 1 2 294.359 -1.007 20 0 CAADLO CNC(=O)[C@H](C)[N@H+]1CC[C@H]1CNC(=O)CCn1cncn1 ZINC001483628617 892774707 /nfs/dbraw/zinc/77/47/07/892774707.db2.gz FVXMREWZYWGBBN-QWRGUYRKSA-N 1 2 294.359 -1.007 20 0 CAADLO COC(=O)NCC(=O)NC[C@H]1CC[N@@H+]1[C@@H]1CCCNC1=O ZINC001483634324 892775206 /nfs/dbraw/zinc/77/52/06/892775206.db2.gz ROKLSSAOKVGSRO-NXEZZACHSA-N 1 2 298.343 -1.189 20 0 CAADLO COC(=O)NCC(=O)NC[C@H]1CC[N@H+]1[C@@H]1CCCNC1=O ZINC001483634324 892775210 /nfs/dbraw/zinc/77/52/10/892775210.db2.gz ROKLSSAOKVGSRO-NXEZZACHSA-N 1 2 298.343 -1.189 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+]1CC[C@@H]1CNC(=O)CC(N)=O ZINC001483638469 892775490 /nfs/dbraw/zinc/77/54/90/892775490.db2.gz PTDIFINCHCNSHL-JGVFFNPUSA-N 1 2 256.306 -1.813 20 0 CAADLO CNC(=O)[C@H](C)[N@H+]1CC[C@@H]1CNC(=O)CC(N)=O ZINC001483638469 892775501 /nfs/dbraw/zinc/77/55/01/892775501.db2.gz PTDIFINCHCNSHL-JGVFFNPUSA-N 1 2 256.306 -1.813 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CC[C@H]1CNC(=O)CN1CCOCC1=O ZINC001483657747 892776820 /nfs/dbraw/zinc/77/68/20/892776820.db2.gz JSOGKRGPSSHTTE-ZJUUUORDSA-N 1 2 298.343 -2.091 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CC[C@H]1CNC(=O)CN1CCOCC1=O ZINC001483657747 892776826 /nfs/dbraw/zinc/77/68/26/892776826.db2.gz JSOGKRGPSSHTTE-ZJUUUORDSA-N 1 2 298.343 -2.091 20 0 CAADLO Cc1nnc(CC(=O)NC[C@@H]2CC[N@@H+]2[C@@H]2CCNC2=O)[nH]1 ZINC001483650776 892776939 /nfs/dbraw/zinc/77/69/39/892776939.db2.gz XZWMVDQXZKORFR-VHSXEESVSA-N 1 2 292.343 -1.265 20 0 CAADLO Cc1nnc(CC(=O)NC[C@@H]2CC[N@H+]2[C@@H]2CCNC2=O)[nH]1 ZINC001483650776 892776946 /nfs/dbraw/zinc/77/69/46/892776946.db2.gz XZWMVDQXZKORFR-VHSXEESVSA-N 1 2 292.343 -1.265 20 0 CAADLO COC[C@@H](O)C[N@@H+]1CC[C@@H]1CNC(=O)c1cn[nH]n1 ZINC001483662304 892777690 /nfs/dbraw/zinc/77/76/90/892777690.db2.gz KREFUCUWBKGXFH-BDAKNGLRSA-N 1 2 269.305 -1.384 20 0 CAADLO COC[C@@H](O)C[N@H+]1CC[C@@H]1CNC(=O)c1cn[nH]n1 ZINC001483662304 892777697 /nfs/dbraw/zinc/77/76/97/892777697.db2.gz KREFUCUWBKGXFH-BDAKNGLRSA-N 1 2 269.305 -1.384 20 0 CAADLO COC[C@@H](O)C[N@@H+]1CC[C@@H]1CNC(=O)c1cnn[nH]1 ZINC001483662304 892777707 /nfs/dbraw/zinc/77/77/07/892777707.db2.gz KREFUCUWBKGXFH-BDAKNGLRSA-N 1 2 269.305 -1.384 20 0 CAADLO COC[C@@H](O)C[N@H+]1CC[C@@H]1CNC(=O)c1cnn[nH]1 ZINC001483662304 892777713 /nfs/dbraw/zinc/77/77/13/892777713.db2.gz KREFUCUWBKGXFH-BDAKNGLRSA-N 1 2 269.305 -1.384 20 0 CAADLO CNC(=O)NCCC(=O)NC[C@H]1CC[N@@H+]1[C@H]1CCNC1=O ZINC001483648308 892777868 /nfs/dbraw/zinc/77/78/68/892777868.db2.gz RTCZDXRWYBKRFH-ZJUUUORDSA-N 1 2 297.359 -1.616 20 0 CAADLO CNC(=O)NCCC(=O)NC[C@H]1CC[N@H+]1[C@H]1CCNC1=O ZINC001483648308 892777874 /nfs/dbraw/zinc/77/78/74/892777874.db2.gz RTCZDXRWYBKRFH-ZJUUUORDSA-N 1 2 297.359 -1.616 20 0 CAADLO CNC(=O)NCC(=O)NC[C@H]1CC[N@@H+]1[C@@H](C)C(=O)N(C)C ZINC001483656368 892778269 /nfs/dbraw/zinc/77/82/69/892778269.db2.gz NWGYCGLRMQEYIJ-VHSXEESVSA-N 1 2 299.375 -1.417 20 0 CAADLO CNC(=O)NCC(=O)NC[C@H]1CC[N@H+]1[C@@H](C)C(=O)N(C)C ZINC001483656368 892778279 /nfs/dbraw/zinc/77/82/79/892778279.db2.gz NWGYCGLRMQEYIJ-VHSXEESVSA-N 1 2 299.375 -1.417 20 0 CAADLO Cc1nnc(CC(=O)NC[C@H]2CC[N@@H+]2[C@@H]2CCNC2=O)[nH]1 ZINC001483650774 892778329 /nfs/dbraw/zinc/77/83/29/892778329.db2.gz XZWMVDQXZKORFR-NXEZZACHSA-N 1 2 292.343 -1.265 20 0 CAADLO Cc1nnc(CC(=O)NC[C@H]2CC[N@H+]2[C@@H]2CCNC2=O)[nH]1 ZINC001483650774 892778340 /nfs/dbraw/zinc/77/83/40/892778340.db2.gz XZWMVDQXZKORFR-NXEZZACHSA-N 1 2 292.343 -1.265 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CC[C@H]1CNC(=O)Cn1ncn(C)c1=O ZINC001483662185 892778869 /nfs/dbraw/zinc/77/88/69/892778869.db2.gz RIPQKAYRZFOWJU-BDAKNGLRSA-N 1 2 296.331 -2.354 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CC[C@H]1CNC(=O)Cn1ncn(C)c1=O ZINC001483662185 892778880 /nfs/dbraw/zinc/77/88/80/892778880.db2.gz RIPQKAYRZFOWJU-BDAKNGLRSA-N 1 2 296.331 -2.354 20 0 CAADLO O=C(CC1CS(=O)(=O)C1)NC[C@H]1CC[N@H+]1CCCO ZINC001483661408 892779047 /nfs/dbraw/zinc/77/90/47/892779047.db2.gz KEJPNEUICMLHIV-LLVKDONJSA-N 1 2 290.385 -1.006 20 0 CAADLO O=C(CC1CS(=O)(=O)C1)NC[C@H]1CC[N@@H+]1CCCO ZINC001483661408 892779054 /nfs/dbraw/zinc/77/90/54/892779054.db2.gz KEJPNEUICMLHIV-LLVKDONJSA-N 1 2 290.385 -1.006 20 0 CAADLO CNC(=O)NCC(=O)NC[C@@H]1CC[N@@H+]1[C@@H](C)C(=O)N(C)C ZINC001483656367 892779242 /nfs/dbraw/zinc/77/92/42/892779242.db2.gz NWGYCGLRMQEYIJ-UWVGGRQHSA-N 1 2 299.375 -1.417 20 0 CAADLO CNC(=O)NCC(=O)NC[C@@H]1CC[N@H+]1[C@@H](C)C(=O)N(C)C ZINC001483656367 892779254 /nfs/dbraw/zinc/77/92/54/892779254.db2.gz NWGYCGLRMQEYIJ-UWVGGRQHSA-N 1 2 299.375 -1.417 20 0 CAADLO CNC(=O)NCC(=O)NC[C@H]1CC[N@@H+]1[C@H](C)C(=O)N(C)C ZINC001483656366 892779400 /nfs/dbraw/zinc/77/94/00/892779400.db2.gz NWGYCGLRMQEYIJ-NXEZZACHSA-N 1 2 299.375 -1.417 20 0 CAADLO CNC(=O)NCC(=O)NC[C@H]1CC[N@H+]1[C@H](C)C(=O)N(C)C ZINC001483656366 892779408 /nfs/dbraw/zinc/77/94/08/892779408.db2.gz NWGYCGLRMQEYIJ-NXEZZACHSA-N 1 2 299.375 -1.417 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CC[C@@H]1CNC(=O)Cn1ncn(C)c1=O ZINC001483662189 892779484 /nfs/dbraw/zinc/77/94/84/892779484.db2.gz RIPQKAYRZFOWJU-RKDXNWHRSA-N 1 2 296.331 -2.354 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CC[C@@H]1CNC(=O)Cn1ncn(C)c1=O ZINC001483662189 892779492 /nfs/dbraw/zinc/77/94/92/892779492.db2.gz RIPQKAYRZFOWJU-RKDXNWHRSA-N 1 2 296.331 -2.354 20 0 CAADLO O=C(CC1CS(=O)(=O)C1)NC[C@@H]1CC[N@H+]1CCCO ZINC001483661409 892779529 /nfs/dbraw/zinc/77/95/29/892779529.db2.gz KEJPNEUICMLHIV-NSHDSACASA-N 1 2 290.385 -1.006 20 0 CAADLO O=C(CC1CS(=O)(=O)C1)NC[C@@H]1CC[N@@H+]1CCCO ZINC001483661409 892779533 /nfs/dbraw/zinc/77/95/33/892779533.db2.gz KEJPNEUICMLHIV-NSHDSACASA-N 1 2 290.385 -1.006 20 0 CAADLO COC[C@@H](O)C[N@@H+]1CC[C@H]1CNC(=O)c1nnc[nH]1 ZINC001483687112 892780512 /nfs/dbraw/zinc/78/05/12/892780512.db2.gz ATXLVOLPAYFKHR-IUCAKERBSA-N 1 2 269.305 -1.384 20 0 CAADLO COC[C@@H](O)C[N@H+]1CC[C@H]1CNC(=O)c1nnc[nH]1 ZINC001483687112 892780522 /nfs/dbraw/zinc/78/05/22/892780522.db2.gz ATXLVOLPAYFKHR-IUCAKERBSA-N 1 2 269.305 -1.384 20 0 CAADLO COC[C@@H](O)C[N@@H+]1CC[C@H]1CNC(=O)c1ncn[nH]1 ZINC001483687112 892780531 /nfs/dbraw/zinc/78/05/31/892780531.db2.gz ATXLVOLPAYFKHR-IUCAKERBSA-N 1 2 269.305 -1.384 20 0 CAADLO COC[C@@H](O)C[N@H+]1CC[C@H]1CNC(=O)c1ncn[nH]1 ZINC001483687112 892780548 /nfs/dbraw/zinc/78/05/48/892780548.db2.gz ATXLVOLPAYFKHR-IUCAKERBSA-N 1 2 269.305 -1.384 20 0 CAADLO CC[C@@H](C(N)=O)[N@@H+]1CC[C@H]1CNC(=O)CCn1cnnn1 ZINC001483685929 892781388 /nfs/dbraw/zinc/78/13/88/892781388.db2.gz DVLUXCHRWBOJLD-UWVGGRQHSA-N 1 2 295.347 -1.482 20 0 CAADLO CC[C@@H](C(N)=O)[N@H+]1CC[C@H]1CNC(=O)CCn1cnnn1 ZINC001483685929 892781396 /nfs/dbraw/zinc/78/13/96/892781396.db2.gz DVLUXCHRWBOJLD-UWVGGRQHSA-N 1 2 295.347 -1.482 20 0 CAADLO COC[C@H](O)C[N@@H+]1CC[C@@H]1CNC(=O)c1nnc[nH]1 ZINC001483687113 892781688 /nfs/dbraw/zinc/78/16/88/892781688.db2.gz ATXLVOLPAYFKHR-RKDXNWHRSA-N 1 2 269.305 -1.384 20 0 CAADLO COC[C@H](O)C[N@H+]1CC[C@@H]1CNC(=O)c1nnc[nH]1 ZINC001483687113 892781691 /nfs/dbraw/zinc/78/16/91/892781691.db2.gz ATXLVOLPAYFKHR-RKDXNWHRSA-N 1 2 269.305 -1.384 20 0 CAADLO COC[C@H](O)C[N@@H+]1CC[C@@H]1CNC(=O)c1ncn[nH]1 ZINC001483687113 892781694 /nfs/dbraw/zinc/78/16/94/892781694.db2.gz ATXLVOLPAYFKHR-RKDXNWHRSA-N 1 2 269.305 -1.384 20 0 CAADLO COC[C@H](O)C[N@H+]1CC[C@@H]1CNC(=O)c1ncn[nH]1 ZINC001483687113 892781698 /nfs/dbraw/zinc/78/16/98/892781698.db2.gz ATXLVOLPAYFKHR-RKDXNWHRSA-N 1 2 269.305 -1.384 20 0 CAADLO NC(=O)NCCC(=O)NC[C@H]1CC[N@@H+]1[C@@H]1CCCNC1=O ZINC001483703002 892781739 /nfs/dbraw/zinc/78/17/39/892781739.db2.gz RQKAWAZILFRDKR-NXEZZACHSA-N 1 2 297.359 -1.486 20 0 CAADLO NC(=O)NCCC(=O)NC[C@H]1CC[N@H+]1[C@@H]1CCCNC1=O ZINC001483703002 892781742 /nfs/dbraw/zinc/78/17/42/892781742.db2.gz RQKAWAZILFRDKR-NXEZZACHSA-N 1 2 297.359 -1.486 20 0 CAADLO Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]1CCN1CC(N)=O ZINC001483696193 892781867 /nfs/dbraw/zinc/78/18/67/892781867.db2.gz HPILBBCHJYWNSN-VIFPVBQESA-N 1 2 265.317 -1.064 20 0 CAADLO NC(=O)C(=O)NC[C@@H]1CC[N@@H+]1CCOC[C@@H]1CCCO1 ZINC001483677855 892781998 /nfs/dbraw/zinc/78/19/98/892781998.db2.gz SHILAOMXMKWSSO-QWRGUYRKSA-N 1 2 285.344 -1.142 20 0 CAADLO NC(=O)C(=O)NC[C@@H]1CC[N@H+]1CCOC[C@@H]1CCCO1 ZINC001483677855 892782004 /nfs/dbraw/zinc/78/20/04/892782004.db2.gz SHILAOMXMKWSSO-QWRGUYRKSA-N 1 2 285.344 -1.142 20 0 CAADLO CC(=O)NCC(=O)NCC1([NH2+]Cc2cnon2)CC1 ZINC001483710460 892782027 /nfs/dbraw/zinc/78/20/27/892782027.db2.gz CZQWANDAPMIGTG-UHFFFAOYSA-N 1 2 267.289 -1.056 20 0 CAADLO C[C@H](C(=O)N(C)C)[N@@H+]1CC[C@H]1CNC(=O)Cn1cncn1 ZINC001483701515 892782767 /nfs/dbraw/zinc/78/27/67/892782767.db2.gz IKQIZFMTTCZDHK-MNOVXSKESA-N 1 2 294.359 -1.055 20 0 CAADLO C[C@H](C(=O)N(C)C)[N@H+]1CC[C@H]1CNC(=O)Cn1cncn1 ZINC001483701515 892782784 /nfs/dbraw/zinc/78/27/84/892782784.db2.gz IKQIZFMTTCZDHK-MNOVXSKESA-N 1 2 294.359 -1.055 20 0 CAADLO Cc1nonc1C[NH2+]C1(CNC(=O)CC(N)=O)CC1 ZINC001483722260 892784573 /nfs/dbraw/zinc/78/45/73/892784573.db2.gz GTINBYVWSKRCDT-UHFFFAOYSA-N 1 2 267.289 -1.008 20 0 CAADLO CC(=O)N[C@H](C)C(=O)NCC1([NH2+]Cc2nnnn2C)CC1 ZINC001483715216 892785264 /nfs/dbraw/zinc/78/52/64/892785264.db2.gz OCGZOOPWVGNCNT-MRVPVSSYSA-N 1 2 295.347 -1.527 20 0 CAADLO Cn1ncc(C[NH2+]C2(CNC(=O)[C@@H]3CCC(=O)N3)CC2)n1 ZINC001483785294 892790960 /nfs/dbraw/zinc/79/09/60/892790960.db2.gz CSWSJGRYXNUYIP-JTQLQIEISA-N 1 2 292.343 -1.168 20 0 CAADLO CN(C(=O)[C@@H]1CC(=O)N(C)C1)C1C[NH+](CCOCCO)C1 ZINC001483866025 892792953 /nfs/dbraw/zinc/79/29/53/892792953.db2.gz KSIPZLHTPPZVOK-LLVKDONJSA-N 1 2 299.371 -1.384 20 0 CAADLO C[C@@]1(NC(=O)c2ccn[nH]2)CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001484029964 892796263 /nfs/dbraw/zinc/79/62/63/892796263.db2.gz OPXQIRVDKZJZDG-GFCCVEGCSA-N 1 2 294.315 -1.201 20 0 CAADLO C[C@@]1(NC(=O)c2ccn[nH]2)CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001484029964 892796270 /nfs/dbraw/zinc/79/62/70/892796270.db2.gz OPXQIRVDKZJZDG-GFCCVEGCSA-N 1 2 294.315 -1.201 20 0 CAADLO Cn1cc(C[N@@H+]2CC[C@](C)(NC(=O)CC(N)=O)C2)nn1 ZINC001484037018 892796510 /nfs/dbraw/zinc/79/65/10/892796510.db2.gz RVSQGGVWWPKYOE-LBPRGKRZSA-N 1 2 280.332 -1.229 20 0 CAADLO Cn1cc(C[N@H+]2CC[C@](C)(NC(=O)CC(N)=O)C2)nn1 ZINC001484037018 892796521 /nfs/dbraw/zinc/79/65/21/892796521.db2.gz RVSQGGVWWPKYOE-LBPRGKRZSA-N 1 2 280.332 -1.229 20 0 CAADLO Cn1[nH]c(C[N@@H+]2CC[C@](C)(NC(=O)CC(N)=O)C2)nc1=O ZINC001484036361 892797073 /nfs/dbraw/zinc/79/70/73/892797073.db2.gz JHDXVWKMTQHGAZ-LBPRGKRZSA-N 1 2 296.331 -1.936 20 0 CAADLO Cn1[nH]c(C[N@H+]2CC[C@](C)(NC(=O)CC(N)=O)C2)nc1=O ZINC001484036361 892797083 /nfs/dbraw/zinc/79/70/83/892797083.db2.gz JHDXVWKMTQHGAZ-LBPRGKRZSA-N 1 2 296.331 -1.936 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CC[C@@](C)(NC(=O)Cc2nnc[nH]2)C1 ZINC001484065330 892798850 /nfs/dbraw/zinc/79/88/50/892798850.db2.gz UNROYIKWGRBAHW-PRHODGIISA-N 1 2 280.332 -1.198 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CC[C@@](C)(NC(=O)Cc2nnc[nH]2)C1 ZINC001484065330 892798860 /nfs/dbraw/zinc/79/88/60/892798860.db2.gz UNROYIKWGRBAHW-PRHODGIISA-N 1 2 280.332 -1.198 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CC[C@@](C)(NC(=O)C(=O)NCC2CC2)C1 ZINC001484063442 892798943 /nfs/dbraw/zinc/79/89/43/892798943.db2.gz ROFOMBKLJMGRLK-YMTOWFKASA-N 1 2 296.371 -1.033 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CC[C@@](C)(NC(=O)C(=O)NCC2CC2)C1 ZINC001484063442 892798956 /nfs/dbraw/zinc/79/89/56/892798956.db2.gz ROFOMBKLJMGRLK-YMTOWFKASA-N 1 2 296.371 -1.033 20 0 CAADLO CNC(=O)NC(=O)C[N@@H+]1CC[C@@](C)(NC(=O)C(N)=O)C1 ZINC001484059821 892799567 /nfs/dbraw/zinc/79/95/67/892799567.db2.gz ZXAIDGLLOMFRGZ-LLVKDONJSA-N 1 2 285.304 -2.492 20 0 CAADLO CNC(=O)NC(=O)C[N@H+]1CC[C@@](C)(NC(=O)C(N)=O)C1 ZINC001484059821 892799575 /nfs/dbraw/zinc/79/95/75/892799575.db2.gz ZXAIDGLLOMFRGZ-LLVKDONJSA-N 1 2 285.304 -2.492 20 0 CAADLO C[C@]1(NC(=O)Cc2nc[nH]n2)CC[N@H+](CC(N)=O)C1 ZINC001484063867 892799687 /nfs/dbraw/zinc/79/96/87/892799687.db2.gz GZDPHXJJWGGICO-NSHDSACASA-N 1 2 266.305 -1.587 20 0 CAADLO C[C@]1(NC(=O)Cc2nc[nH]n2)CC[N@@H+](CC(N)=O)C1 ZINC001484063867 892799693 /nfs/dbraw/zinc/79/96/93/892799693.db2.gz GZDPHXJJWGGICO-NSHDSACASA-N 1 2 266.305 -1.587 20 0 CAADLO CNC(=O)NC(=O)C[N@@H+]1CC[C@](C)(NC(=O)C(N)=O)C1 ZINC001484059822 892802056 /nfs/dbraw/zinc/80/20/56/892802056.db2.gz ZXAIDGLLOMFRGZ-NSHDSACASA-N 1 2 285.304 -2.492 20 0 CAADLO CNC(=O)NC(=O)C[N@H+]1CC[C@](C)(NC(=O)C(N)=O)C1 ZINC001484059822 892802070 /nfs/dbraw/zinc/80/20/70/892802070.db2.gz ZXAIDGLLOMFRGZ-NSHDSACASA-N 1 2 285.304 -2.492 20 0 CAADLO CC(=O)NC[C@@]1(O)CC[N@H+](CCS(C)(=O)=O)C1 ZINC001484198019 892803647 /nfs/dbraw/zinc/80/36/47/892803647.db2.gz OKSMRXCJJVYYQI-JTQLQIEISA-N 1 2 264.347 -1.396 20 0 CAADLO CC(=O)NC[C@@]1(O)CC[N@@H+](CCS(C)(=O)=O)C1 ZINC001484198019 892803670 /nfs/dbraw/zinc/80/36/70/892803670.db2.gz OKSMRXCJJVYYQI-JTQLQIEISA-N 1 2 264.347 -1.396 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)c2cnsn2)C1 ZINC001484204644 892810026 /nfs/dbraw/zinc/81/00/26/892810026.db2.gz AUGIPUNHCTXMRX-SNVBAGLBSA-N 1 2 285.329 -1.810 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)c2cnsn2)C1 ZINC001484204644 892810057 /nfs/dbraw/zinc/81/00/57/892810057.db2.gz AUGIPUNHCTXMRX-SNVBAGLBSA-N 1 2 285.329 -1.810 20 0 CAADLO Cc1nonc1C(=O)NC[C@@]1(O)CC[N@H+](CC(N)=O)C1 ZINC001484254062 892823928 /nfs/dbraw/zinc/82/39/28/892823928.db2.gz FBXYCPWSWQTSLO-NSHDSACASA-N 1 2 283.288 -1.970 20 0 CAADLO Cc1nonc1C(=O)NC[C@@]1(O)CC[N@@H+](CC(N)=O)C1 ZINC001484254062 892823947 /nfs/dbraw/zinc/82/39/47/892823947.db2.gz FBXYCPWSWQTSLO-NSHDSACASA-N 1 2 283.288 -1.970 20 0 CAADLO C[C@H](O)C[NH+]1CC(O)(CNC(=O)c2cc[n+]([O-])cc2)C1 ZINC001484258228 892828081 /nfs/dbraw/zinc/82/80/81/892828081.db2.gz XKWQJCBVGKAROU-JTQLQIEISA-N 1 2 281.312 -1.523 20 0 CAADLO O=C(NCC1(O)C[NH+](CCCO)C1)c1ccc(=O)[nH]n1 ZINC001484257543 892828280 /nfs/dbraw/zinc/82/82/80/892828280.db2.gz PXTXQCVTFNTYCI-UHFFFAOYSA-N 1 2 282.300 -1.659 20 0 CAADLO C[C@@H](O)C[NH+]1CC(O)(CNC(=O)c2cc[n+]([O-])cc2)C1 ZINC001484258234 892829839 /nfs/dbraw/zinc/82/98/39/892829839.db2.gz XKWQJCBVGKAROU-SNVBAGLBSA-N 1 2 281.312 -1.523 20 0 CAADLO O=C(Cn1cnnn1)NCC1(O)C[NH+](CCCO)C1 ZINC001484257261 892830130 /nfs/dbraw/zinc/83/01/30/892830130.db2.gz JLKAHGCIDRDRJW-UHFFFAOYSA-N 1 2 270.293 -2.782 20 0 CAADLO COCCCC(=O)NCC1(O)C[NH+](CCCO)C1 ZINC001484261579 892830593 /nfs/dbraw/zinc/83/05/93/892830593.db2.gz RKSVMLUNNHZORH-UHFFFAOYSA-N 1 2 260.334 -1.042 20 0 CAADLO COC[C@@H](C)[NH+]1CC(O)(CNC(=O)CCn2cncn2)C1 ZINC001484259566 892830917 /nfs/dbraw/zinc/83/09/17/892830917.db2.gz GJZXOBYPKYALBU-LLVKDONJSA-N 1 2 297.359 -1.134 20 0 CAADLO CC[NH+]1CC(O)(CNC(=O)[C@@H]2CCNC(=O)C2)C1 ZINC001484267517 892834338 /nfs/dbraw/zinc/83/43/38/892834338.db2.gz IPVBSBUGNUNDJM-SECBINFHSA-N 1 2 255.318 -1.305 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(O)(CNC(=O)C2(C)CC2)C1 ZINC001484274664 892836767 /nfs/dbraw/zinc/83/67/67/892836767.db2.gz LVHXQXXUPQUGHB-JTQLQIEISA-N 1 2 272.345 -1.043 20 0 CAADLO C[C@H](C(=O)NCC1(O)C[NH+](CCCO)C1)n1cncn1 ZINC001484268435 892837215 /nfs/dbraw/zinc/83/72/15/892837215.db2.gz CPEMQAHPMGNJEX-SNVBAGLBSA-N 1 2 283.332 -1.616 20 0 CAADLO CC[NH+]1CC(O)(CNC(=O)CO[C@@H]2CCOC2)C1 ZINC001484272639 892837687 /nfs/dbraw/zinc/83/76/87/892837687.db2.gz QOFZTDFCIGOHHL-SNVBAGLBSA-N 1 2 258.318 -1.025 20 0 CAADLO Cn1cc[nH+]c1CCC(=O)NCC1(O)CN(CCO)C1 ZINC001484285087 892839458 /nfs/dbraw/zinc/83/94/58/892839458.db2.gz CZEXYDJKYYLJPQ-UHFFFAOYSA-N 1 2 282.344 -1.492 20 0 CAADLO COC[C@@H](C)[NH+]1CC(O)(CNC(=O)c2cn[nH]c(=O)c2)C1 ZINC001484278369 892838695 /nfs/dbraw/zinc/83/86/95/892838695.db2.gz VEFJSSFAQFVKKG-SECBINFHSA-N 1 2 296.327 -1.006 20 0 CAADLO C[C@@H](O)C[NH+]1CC(O)(CNC(=O)[C@@H]2CCN(C)C(=O)C2)C1 ZINC001484280147 892839536 /nfs/dbraw/zinc/83/95/36/892839536.db2.gz QLFVDIJSQZLEEZ-GHMZBOCLSA-N 1 2 299.371 -1.602 20 0 CAADLO CCN1CCOC[C@H]1C(=O)NCC1(O)C[NH+](CC)C1 ZINC001484280957 892839945 /nfs/dbraw/zinc/83/99/45/892839945.db2.gz MMVKFDIQTMQPSM-NSHDSACASA-N 1 2 271.361 -1.110 20 0 CAADLO CN1C[C@H](C(=O)NCC2(O)C[NH+](CCCF)C2)CC1=O ZINC001484275771 892841113 /nfs/dbraw/zinc/84/11/13/892841113.db2.gz HPXCRTUQYNKFBL-SNVBAGLBSA-N 1 2 287.335 -1.013 20 0 CAADLO CCN1C[C@@H](C(=O)NCC2(O)C[NH+](C[C@H](C)O)C2)CC1=O ZINC001484276394 892841264 /nfs/dbraw/zinc/84/12/64/892841264.db2.gz SAVPHMRAMFGZKI-QWRGUYRKSA-N 1 2 299.371 -1.602 20 0 CAADLO CC[NH+]1CC(O)(CNC(=O)[C@@H]2CCCNC2=O)C1 ZINC001484277364 892841525 /nfs/dbraw/zinc/84/15/25/892841525.db2.gz DYCYSMZAJXOUJG-SECBINFHSA-N 1 2 255.318 -1.305 20 0 CAADLO CCOCC[NH+]1CC(O)(CNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001484292056 892846062 /nfs/dbraw/zinc/84/60/62/892846062.db2.gz MADUVXGYJMKBMU-VIFPVBQESA-N 1 2 286.332 -2.133 20 0 CAADLO Cn1ncc(C(=O)NCC2(O)C[NH+](CCCO)C2)n1 ZINC001484299963 892846820 /nfs/dbraw/zinc/84/68/20/892846820.db2.gz KRKOUDNTOKWVDN-UHFFFAOYSA-N 1 2 269.305 -2.026 20 0 CAADLO O=C(Cc1[nH]cc[nH+]1)NCC1(O)CN(Cc2cnon2)C1 ZINC001484301083 892847422 /nfs/dbraw/zinc/84/74/22/892847422.db2.gz BIAWKEZAWMYTSM-UHFFFAOYSA-N 1 2 292.299 -1.302 20 0 CAADLO COc1c(C(=O)NCC2(O)C[NH+](C[C@@H](C)O)C2)cnn1C ZINC001484307865 892847476 /nfs/dbraw/zinc/84/74/76/892847476.db2.gz UKSOZWCMQNFBAX-SECBINFHSA-N 1 2 298.343 -1.414 20 0 CAADLO COC[C@H](O)C[NH+]1CC(O)(CNC(=O)Cc2nc[nH]n2)C1 ZINC001484305002 892849311 /nfs/dbraw/zinc/84/93/11/892849311.db2.gz LVAYRXYOLVKZKM-SECBINFHSA-N 1 2 299.331 -2.483 20 0 CAADLO C[C@@H](O)C[NH+]1CC(O)(CNC(=O)[C@@]2(C)CCOC2)C1 ZINC001484304779 892849444 /nfs/dbraw/zinc/84/94/44/892849444.db2.gz ZFMJEWVITPSPHV-PWSUYJOCSA-N 1 2 272.345 -1.043 20 0 CAADLO CC[NH+]1CC(O)(CNC(=O)c2cccnc2C(N)=O)C1 ZINC001484311434 892851085 /nfs/dbraw/zinc/85/10/85/892851085.db2.gz YFHPSBOKHLBIAT-UHFFFAOYSA-N 1 2 278.312 -1.023 20 0 CAADLO C[C@@H](O)C[NH+]1CC(O)(CNC(=O)CCc2cn(C)nn2)C1 ZINC001484313270 892852486 /nfs/dbraw/zinc/85/24/86/892852486.db2.gz PPXDMBQPRJHWOU-SNVBAGLBSA-N 1 2 297.359 -1.709 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@](CO)(NC(=O)[C@H]2CCOC2)C1 ZINC001484429409 892855768 /nfs/dbraw/zinc/85/57/68/892855768.db2.gz AUHBXYURBBJTJO-GWCFXTLKSA-N 1 2 285.344 -1.549 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@](CO)(NC(=O)[C@H]2CCOC2)C1 ZINC001484429409 892855785 /nfs/dbraw/zinc/85/57/85/892855785.db2.gz AUHBXYURBBJTJO-GWCFXTLKSA-N 1 2 285.344 -1.549 20 0 CAADLO COC[C@@H](C)C(=O)N[C@]1(CO)CCC[N@H+](CC(N)=O)C1 ZINC001484430685 892857019 /nfs/dbraw/zinc/85/70/19/892857019.db2.gz KIVIKPIIDCZJHN-ZWNOBZJWSA-N 1 2 287.360 -1.303 20 0 CAADLO COC[C@@H](C)C(=O)N[C@]1(CO)CCC[N@@H+](CC(N)=O)C1 ZINC001484430685 892857035 /nfs/dbraw/zinc/85/70/35/892857035.db2.gz KIVIKPIIDCZJHN-ZWNOBZJWSA-N 1 2 287.360 -1.303 20 0 CAADLO COC[C@H](C)C(=O)N[C@@]1(CO)CCC[N@@H+](CC(N)=O)C1 ZINC001484430682 892859367 /nfs/dbraw/zinc/85/93/67/892859367.db2.gz KIVIKPIIDCZJHN-GWCFXTLKSA-N 1 2 287.360 -1.303 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CCC[C@@](CO)(NC(=O)c2ccn[nH]2)C1 ZINC001484426938 892858959 /nfs/dbraw/zinc/85/89/59/892858959.db2.gz ADECUAOEAZJDOZ-NOZJJQNGSA-N 1 2 295.343 -1.160 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CCC[C@@](CO)(NC(=O)c2ccn[nH]2)C1 ZINC001484426938 892858975 /nfs/dbraw/zinc/85/89/75/892858975.db2.gz ADECUAOEAZJDOZ-NOZJJQNGSA-N 1 2 295.343 -1.160 20 0 CAADLO COC[C@@H](C)C(=O)N[C@@]1(CO)CCC[N@H+](CC(N)=O)C1 ZINC001484430684 892859149 /nfs/dbraw/zinc/85/91/49/892859149.db2.gz KIVIKPIIDCZJHN-MFKMUULPSA-N 1 2 287.360 -1.303 20 0 CAADLO COC[C@@H](C)C(=O)N[C@@]1(CO)CCC[N@@H+](CC(N)=O)C1 ZINC001484430684 892859167 /nfs/dbraw/zinc/85/91/67/892859167.db2.gz KIVIKPIIDCZJHN-MFKMUULPSA-N 1 2 287.360 -1.303 20 0 CAADLO COC[C@H](C)C(=O)N[C@@]1(CO)CCC[N@H+](CC(N)=O)C1 ZINC001484430682 892859354 /nfs/dbraw/zinc/85/93/54/892859354.db2.gz KIVIKPIIDCZJHN-GWCFXTLKSA-N 1 2 287.360 -1.303 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@@](CO)(NC(=O)C2=CCOCC2)C1 ZINC001484433971 892859524 /nfs/dbraw/zinc/85/95/24/892859524.db2.gz JYBAFKWPSHPJBM-CQSZACIVSA-N 1 2 297.355 -1.239 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@@](CO)(NC(=O)C2=CCOCC2)C1 ZINC001484433971 892859541 /nfs/dbraw/zinc/85/95/41/892859541.db2.gz JYBAFKWPSHPJBM-CQSZACIVSA-N 1 2 297.355 -1.239 20 0 CAADLO CCOCC(=O)N[C@]1(CO)CCC[N@@H+]([C@@H](C)C(N)=O)C1 ZINC001484426305 892860026 /nfs/dbraw/zinc/86/00/26/892860026.db2.gz LFFWZVNNAOOCTM-GXFFZTMASA-N 1 2 287.360 -1.160 20 0 CAADLO CCOCC(=O)N[C@]1(CO)CCC[N@H+]([C@@H](C)C(N)=O)C1 ZINC001484426305 892860039 /nfs/dbraw/zinc/86/00/39/892860039.db2.gz LFFWZVNNAOOCTM-GXFFZTMASA-N 1 2 287.360 -1.160 20 0 CAADLO NC(=O)C(=O)N(CCO)CC[NH2+]Cc1coc(C2CC2)n1 ZINC001484492756 892868089 /nfs/dbraw/zinc/86/80/89/892868089.db2.gz MTJNPFTVLYUKPN-UHFFFAOYSA-N 1 2 296.327 -1.052 20 0 CAADLO COCCC[N@@H+]1CCOC[C@H]1CNC(=O)CNC(C)=O ZINC001484583875 892875012 /nfs/dbraw/zinc/87/50/12/892875012.db2.gz GLVUAXARLOKCJM-GFCCVEGCSA-N 1 2 287.360 -1.024 20 0 CAADLO COCCC[N@H+]1CCOC[C@H]1CNC(=O)CNC(C)=O ZINC001484583875 892875018 /nfs/dbraw/zinc/87/50/18/892875018.db2.gz GLVUAXARLOKCJM-GFCCVEGCSA-N 1 2 287.360 -1.024 20 0 CAADLO COC(=O)NCC(=O)NC[C@H]1COCC[N@@H+]1CCCO ZINC001484587516 892875116 /nfs/dbraw/zinc/87/51/16/892875116.db2.gz WWWKCPQNEOTABJ-JTQLQIEISA-N 1 2 289.332 -1.458 20 0 CAADLO COC(=O)NCC(=O)NC[C@H]1COCC[N@H+]1CCCO ZINC001484587516 892875127 /nfs/dbraw/zinc/87/51/27/892875127.db2.gz WWWKCPQNEOTABJ-JTQLQIEISA-N 1 2 289.332 -1.458 20 0 CAADLO CC(=O)NCC(=O)NC[C@@H]1COCC[N@@H+]1CCCO ZINC001484583623 892875994 /nfs/dbraw/zinc/87/59/94/892875994.db2.gz CMGFPUKUWODRSH-LLVKDONJSA-N 1 2 273.333 -1.678 20 0 CAADLO CC(=O)NCC(=O)NC[C@@H]1COCC[N@H+]1CCCO ZINC001484583623 892876013 /nfs/dbraw/zinc/87/60/13/892876013.db2.gz CMGFPUKUWODRSH-LLVKDONJSA-N 1 2 273.333 -1.678 20 0 CAADLO NC(=O)C[NH2+]CC[C@H]1CCN(C(=O)Cc2ncn[nH]2)C1 ZINC001484548738 892877216 /nfs/dbraw/zinc/87/72/16/892877216.db2.gz YENBHEZTPBDRMZ-VIFPVBQESA-N 1 2 280.332 -1.339 20 0 CAADLO Cn1nnnc1C[NH2+]C1(CNC(=O)C(N)=O)CCC1 ZINC001484649353 892879850 /nfs/dbraw/zinc/87/98/50/892879850.db2.gz KMQJCEPFSWHXFP-UHFFFAOYSA-N 1 2 267.293 -2.176 20 0 CAADLO Cn1ncc(C[NH2+]C2(CNC(=O)C(N)=O)CCC2)n1 ZINC001484650249 892880602 /nfs/dbraw/zinc/88/06/02/892880602.db2.gz WZCCESSAVOLQMP-UHFFFAOYSA-N 1 2 266.305 -1.571 20 0 CAADLO COCCOCC(=O)N[C@@H]1COC2(C[NH+](CCO)C2)C1 ZINC001484793941 892888070 /nfs/dbraw/zinc/88/80/70/892888070.db2.gz BPOCUWCWDLJURK-NSHDSACASA-N 1 2 288.344 -1.399 20 0 CAADLO COCCC(=O)N1CC[C@@H]([NH+]2CCN(CC(N)=O)CC2)C1 ZINC001484705966 892888380 /nfs/dbraw/zinc/88/83/80/892888380.db2.gz VMGPQCNUNZXSPB-GFCCVEGCSA-N 1 2 298.387 -1.273 20 0 CAADLO COCC(=O)N[C@@H]1COC2(C[NH+](C[C@@H](C)O)C2)C1 ZINC001484788903 892889737 /nfs/dbraw/zinc/88/97/37/892889737.db2.gz HZUXPGSOHYMIQN-ZJUUUORDSA-N 1 2 258.318 -1.027 20 0 CAADLO COCCOCC(=O)N[C@H]1COC2(C[NH+](CCO)C2)C1 ZINC001484793940 892889618 /nfs/dbraw/zinc/88/96/18/892889618.db2.gz BPOCUWCWDLJURK-LLVKDONJSA-N 1 2 288.344 -1.399 20 0 CAADLO CC(=O)N(C)CC(=O)N[C@@H]1COC2(C[NH+](C[C@H](C)O)C2)C1 ZINC001484790283 892891140 /nfs/dbraw/zinc/89/11/40/892891140.db2.gz FQIDUQYDYQUSRP-JQWIXIFHSA-N 1 2 299.371 -1.195 20 0 CAADLO CCC(=O)N[C@H](C)C(=O)N[C@@H]1COC2(C[NH+](CCO)C2)C1 ZINC001484798509 892892851 /nfs/dbraw/zinc/89/28/51/892892851.db2.gz YSRUIJVHEBQAMN-MNOVXSKESA-N 1 2 299.371 -1.147 20 0 CAADLO CC[NH+]1CC2(C1)C[C@H](NC(=O)CS(=O)(=O)NC)CO2 ZINC001484804009 892893610 /nfs/dbraw/zinc/89/36/10/892893610.db2.gz HPEYDZMDAKNBJT-VIFPVBQESA-N 1 2 291.373 -1.485 20 0 CAADLO NC(=O)CC(=O)N[C@@H]1COC2(C[NH+](CCO)C2)C1 ZINC001484795085 892894476 /nfs/dbraw/zinc/89/44/76/892894476.db2.gz PMIHQKRVVQPKDZ-QMMMGPOBSA-N 1 2 257.290 -2.186 20 0 CAADLO NC(=O)CC(=O)N[C@H]1COC2(C[NH+](CCO)C2)C1 ZINC001484795078 892895461 /nfs/dbraw/zinc/89/54/61/892895461.db2.gz PMIHQKRVVQPKDZ-MRVPVSSYSA-N 1 2 257.290 -2.186 20 0 CAADLO NC(=O)C[NH+]1CCC(CO)(NC(=O)[C@@H]2CCCCO2)CC1 ZINC001485017200 892901741 /nfs/dbraw/zinc/90/17/41/892901741.db2.gz SDXRCMJGONTLNA-NSHDSACASA-N 1 2 299.371 -1.016 20 0 CAADLO COCCc1nc(C[NH2+][C@@H](C)CCNC(=O)C(N)=O)no1 ZINC001484997787 892901851 /nfs/dbraw/zinc/90/18/51/892901851.db2.gz IYZHPDDISPVKAZ-QMMMGPOBSA-N 1 2 299.331 -1.272 20 0 CAADLO NC(=O)C[NH+]1CCC(CO)(NC(=O)[C@H]2[C@@H]3COC[C@@H]32)CC1 ZINC001485022642 892902714 /nfs/dbraw/zinc/90/27/14/892902714.db2.gz HHOLEVKBLATAOJ-IAZYJMLFSA-N 1 2 297.355 -1.693 20 0 CAADLO Cc1c[nH]nc1C(=O)NC1(CO)CC[NH+](CC(N)=O)CC1 ZINC001485018809 892903812 /nfs/dbraw/zinc/90/38/12/892903812.db2.gz WEOKPLHADKUFPX-UHFFFAOYSA-N 1 2 295.343 -1.240 20 0 CAADLO Cc1nnc(C[NH2+][C@H](C)[C@H](C)NC(=O)C(N)=O)o1 ZINC001485186177 892909376 /nfs/dbraw/zinc/90/93/76/892909376.db2.gz CGPBVUPJINWISZ-RITPCOANSA-N 1 2 255.278 -1.154 20 0 CAADLO COCCc1noc(C[NH2+][C@H](C)[C@@H](C)NC(=O)C(N)=O)n1 ZINC001485187306 892909415 /nfs/dbraw/zinc/90/94/15/892909415.db2.gz JYTOFPUYIFRBOC-HTQZYQBOSA-N 1 2 299.331 -1.273 20 0 CAADLO COCCc1noc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)C(N)=O)n1 ZINC001485187307 892909891 /nfs/dbraw/zinc/90/98/91/892909891.db2.gz JYTOFPUYIFRBOC-JGVFFNPUSA-N 1 2 299.331 -1.273 20 0 CAADLO C[C@@H](NC(=O)C(N)=O)[C@@H](C)[NH2+]Cc1ncccn1 ZINC001485191094 892914093 /nfs/dbraw/zinc/91/40/93/892914093.db2.gz QUFGGCQBHGFYHI-HTQZYQBOSA-N 1 2 251.290 -1.055 20 0 CAADLO C[C@@H](NC(=O)C(N)=O)[C@H](C)[NH2+]Cc1ncccn1 ZINC001485191126 892914403 /nfs/dbraw/zinc/91/44/03/892914403.db2.gz QUFGGCQBHGFYHI-JGVFFNPUSA-N 1 2 251.290 -1.055 20 0 CAADLO CC(=O)NC[C@H](C)[N@H+](C)CC(=O)N1CCNC(=O)C1 ZINC001485267743 892914626 /nfs/dbraw/zinc/91/46/26/892914626.db2.gz VZBWRRZDDZANKN-VIFPVBQESA-N 1 2 270.333 -1.599 20 0 CAADLO CC(=O)NC[C@H](C)[N@@H+](C)CC(=O)N1CCNC(=O)C1 ZINC001485267743 892914634 /nfs/dbraw/zinc/91/46/34/892914634.db2.gz VZBWRRZDDZANKN-VIFPVBQESA-N 1 2 270.333 -1.599 20 0 CAADLO C[C@@H]([NH2+]Cc1ncccn1)[C@H](C)NC(=O)C(N)=O ZINC001485191129 892915064 /nfs/dbraw/zinc/91/50/64/892915064.db2.gz QUFGGCQBHGFYHI-SFYZADRCSA-N 1 2 251.290 -1.055 20 0 CAADLO COCC(=O)NC[C@@H](C)[N@H+](C)Cc1nc(=O)n(C)[nH]1 ZINC001485267498 892915469 /nfs/dbraw/zinc/91/54/69/892915469.db2.gz PYTNBYXFIIHQKV-MRVPVSSYSA-N 1 2 271.321 -1.309 20 0 CAADLO COCC(=O)NC[C@@H](C)[N@@H+](C)Cc1nc(=O)n(C)[nH]1 ZINC001485267498 892915473 /nfs/dbraw/zinc/91/54/73/892915473.db2.gz PYTNBYXFIIHQKV-MRVPVSSYSA-N 1 2 271.321 -1.309 20 0 CAADLO C[C@@H](CNC(=O)c1cn[nH]n1)[N@H+](C)[C@@H](C)C(N)=O ZINC001485322310 892919129 /nfs/dbraw/zinc/91/91/29/892919129.db2.gz ADKBVGAYHQLVEY-BQBZGAKWSA-N 1 2 254.294 -1.271 20 0 CAADLO C[C@@H](CNC(=O)c1cn[nH]n1)[N@@H+](C)[C@@H](C)C(N)=O ZINC001485322310 892919139 /nfs/dbraw/zinc/91/91/39/892919139.db2.gz ADKBVGAYHQLVEY-BQBZGAKWSA-N 1 2 254.294 -1.271 20 0 CAADLO C[C@@H](CNC(=O)c1cnn[nH]1)[N@H+](C)[C@@H](C)C(N)=O ZINC001485322310 892919148 /nfs/dbraw/zinc/91/91/48/892919148.db2.gz ADKBVGAYHQLVEY-BQBZGAKWSA-N 1 2 254.294 -1.271 20 0 CAADLO C[C@@H](CNC(=O)c1cnn[nH]1)[N@@H+](C)[C@@H](C)C(N)=O ZINC001485322310 892919158 /nfs/dbraw/zinc/91/91/58/892919158.db2.gz ADKBVGAYHQLVEY-BQBZGAKWSA-N 1 2 254.294 -1.271 20 0 CAADLO C[C@H](CNC(=O)[C@@H]1COC(=O)N1)[N@H+](C)Cc1cnnn1C ZINC001485299073 892919877 /nfs/dbraw/zinc/91/98/77/892919877.db2.gz CLVBVOKKCSAMHI-SCZZXKLOSA-N 1 2 296.331 -1.140 20 0 CAADLO C[C@H](CNC(=O)[C@@H]1COC(=O)N1)[N@@H+](C)Cc1cnnn1C ZINC001485299073 892919889 /nfs/dbraw/zinc/91/98/89/892919889.db2.gz CLVBVOKKCSAMHI-SCZZXKLOSA-N 1 2 296.331 -1.140 20 0 CAADLO C[C@H](CNC(=O)C(N)=O)[N@H+](C)CC(=O)NCC1CC1 ZINC001485345869 892923249 /nfs/dbraw/zinc/92/32/49/892923249.db2.gz PTKMREVIMRRAOT-MRVPVSSYSA-N 1 2 270.333 -1.566 20 0 CAADLO C[C@H](CNC(=O)C(N)=O)[N@@H+](C)CC(=O)NCC1CC1 ZINC001485345869 892923260 /nfs/dbraw/zinc/92/32/60/892923260.db2.gz PTKMREVIMRRAOT-MRVPVSSYSA-N 1 2 270.333 -1.566 20 0 CAADLO C[C@H](CNC(=O)C(N)=O)[N@H+](C)CC(=O)N[C@H](C)C1CC1 ZINC001485345707 892924451 /nfs/dbraw/zinc/92/44/51/892924451.db2.gz OLHHITLNNHVCGP-RKDXNWHRSA-N 1 2 284.360 -1.177 20 0 CAADLO C[C@H](CNC(=O)C(N)=O)[N@@H+](C)CC(=O)N[C@H](C)C1CC1 ZINC001485345707 892924456 /nfs/dbraw/zinc/92/44/56/892924456.db2.gz OLHHITLNNHVCGP-RKDXNWHRSA-N 1 2 284.360 -1.177 20 0 CAADLO C[C@@H](CNC(=O)C(N)=O)[N@H+](C)Cc1nc(=O)n(C)[nH]1 ZINC001485345333 892924508 /nfs/dbraw/zinc/92/45/08/892924508.db2.gz LBGSJGRKOBGJMR-LURJTMIESA-N 1 2 270.293 -2.470 20 0 CAADLO C[C@@H](CNC(=O)C(N)=O)[N@@H+](C)Cc1nc(=O)n(C)[nH]1 ZINC001485345333 892924519 /nfs/dbraw/zinc/92/45/19/892924519.db2.gz LBGSJGRKOBGJMR-LURJTMIESA-N 1 2 270.293 -2.470 20 0 CAADLO CO[C@H](C)C[NH+]1CC(CCO)(NC(=O)CNC(C)=O)C1 ZINC001485395830 892926822 /nfs/dbraw/zinc/92/68/22/892926822.db2.gz XGCUWUGZVSCZFH-SNVBAGLBSA-N 1 2 287.360 -1.290 20 0 CAADLO O=C(CNC(=O)C1CC1)NC1(CCO)C[NH+](CCO)C1 ZINC001485398780 892926991 /nfs/dbraw/zinc/92/69/91/892926991.db2.gz HUZAIHWGYHMIPI-UHFFFAOYSA-N 1 2 285.344 -1.942 20 0 CAADLO C[C@@H](O)C[NH+]1CC(CCO)(NC(=O)C2(C(N)=O)CC2)C1 ZINC001485414981 892927845 /nfs/dbraw/zinc/92/78/45/892927845.db2.gz FAQURPMYWJXJTN-SECBINFHSA-N 1 2 285.344 -1.814 20 0 CAADLO COC(=O)NCC(=O)NC1(CCO)C[NH+](CCCO)C1 ZINC001485399795 892927880 /nfs/dbraw/zinc/92/78/80/892927880.db2.gz UOXYGRAWYBZZOL-UHFFFAOYSA-N 1 2 289.332 -1.722 20 0 CAADLO CO[C@@H](C)C[NH+]1CC(CCO)(NC(=O)CNC(C)=O)C1 ZINC001485395828 892928012 /nfs/dbraw/zinc/92/80/12/892928012.db2.gz XGCUWUGZVSCZFH-JTQLQIEISA-N 1 2 287.360 -1.290 20 0 CAADLO C[C@H](O)C[NH+]1CC(CCO)(NC(=O)C2(C(N)=O)CC2)C1 ZINC001485414982 892928593 /nfs/dbraw/zinc/92/85/93/892928593.db2.gz FAQURPMYWJXJTN-VIFPVBQESA-N 1 2 285.344 -1.814 20 0 CAADLO C[C@@H](O)C[NH+]1CC(CCO)(NC(=O)[C@H](C)n2cncn2)C1 ZINC001485404405 892928212 /nfs/dbraw/zinc/92/82/12/892928212.db2.gz XMOHOWKUCVVEHH-MNOVXSKESA-N 1 2 297.359 -1.227 20 0 CAADLO COC[C@@H](C)[NH+]1CC(CCO)(NC(=O)CC(N)=O)C1 ZINC001485401407 892928366 /nfs/dbraw/zinc/92/83/66/892928366.db2.gz PBPFJUUYXVIEMX-SECBINFHSA-N 1 2 273.333 -1.550 20 0 CAADLO COC[C@H](C)[NH+]1CC(CCO)(NC(=O)CC(N)=O)C1 ZINC001485401408 892928475 /nfs/dbraw/zinc/92/84/75/892928475.db2.gz PBPFJUUYXVIEMX-VIFPVBQESA-N 1 2 273.333 -1.550 20 0 CAADLO CC[NH+]1CC(CCO)(NC(=O)[C@H](C)NC(N)=O)C1 ZINC001485404436 892928547 /nfs/dbraw/zinc/92/85/47/892928547.db2.gz SRCSLNCZOIQINW-QMMMGPOBSA-N 1 2 258.322 -1.384 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(CCO)(NC(=O)CC(N)=O)C1 ZINC001485401323 892928852 /nfs/dbraw/zinc/92/88/52/892928852.db2.gz MOMPQRCGDFYXKU-VIFPVBQESA-N 1 2 289.332 -2.578 20 0 CAADLO CC[NH+]1CC(CCO)(NC(=O)CN2CCCNC2=O)C1 ZINC001485408906 892928889 /nfs/dbraw/zinc/92/88/89/892928889.db2.gz WUCGTAJBAIZPQM-UHFFFAOYSA-N 1 2 284.360 -1.025 20 0 CAADLO CNC(=O)C[NH+]1CC([C@@H](C)NC(=O)CNC(=O)C2CC2)C1 ZINC001485491319 892930225 /nfs/dbraw/zinc/93/02/25/892930225.db2.gz GBYVHOMTHHKTLT-SECBINFHSA-N 1 2 296.371 -1.305 20 0 CAADLO CC(C)[C@@H](O)C(=O)N[C@@H](C)C1C[NH+](CC(N)=O)C1 ZINC001485503276 892930379 /nfs/dbraw/zinc/93/03/79/892930379.db2.gz OPXOYZGEENOXGZ-GZMMTYOYSA-N 1 2 257.334 -1.075 20 0 CAADLO O=C(Cn1cncn1)NC1(CCO)C[NH+](CCCO)C1 ZINC001485423164 892931447 /nfs/dbraw/zinc/93/14/47/892931447.db2.gz GSRWMAIZXMSMIO-UHFFFAOYSA-N 1 2 283.332 -1.787 20 0 CAADLO C[C@H](O)C[NH+]1CC(CCO)(NC(=O)[C@@]2(C)CCNC2=O)C1 ZINC001485419420 892931769 /nfs/dbraw/zinc/93/17/69/892931769.db2.gz ZJEPXWCYGCPNLG-GWCFXTLKSA-N 1 2 299.371 -1.554 20 0 CAADLO C[C@@H](O)C[NH+]1CC(CCO)(NC(=O)[C@@]2(C)CCNC2=O)C1 ZINC001485419422 892932465 /nfs/dbraw/zinc/93/24/65/892932465.db2.gz ZJEPXWCYGCPNLG-MFKMUULPSA-N 1 2 299.371 -1.554 20 0 CAADLO Cn1nc(C(=O)NC2(CCO)C[NH+](CCO)C2)ccc1=O ZINC001485423172 892932766 /nfs/dbraw/zinc/93/27/66/892932766.db2.gz HBKYMMMWUFBWGG-UHFFFAOYSA-N 1 2 296.327 -2.061 20 0 CAADLO C[C@H](O)C[NH+]1CC(CCO)(NC(=O)c2c[nH]c(=O)cn2)C1 ZINC001485415912 892933208 /nfs/dbraw/zinc/93/32/08/892933208.db2.gz PBTYTRPETFUCMM-VIFPVBQESA-N 1 2 296.327 -1.683 20 0 CAADLO CCNC(=O)C[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001485533921 892934264 /nfs/dbraw/zinc/93/42/64/892934264.db2.gz WKBLJSGHHMIWRO-ONGXEEELSA-N 1 2 296.371 -1.162 20 0 CAADLO C[C@H](NC(=O)CCCCC(N)=O)C1C[NH+](CC(N)=O)C1 ZINC001485529439 892936055 /nfs/dbraw/zinc/93/60/55/892936055.db2.gz REUCGLUTTDSUBU-VIFPVBQESA-N 1 2 284.360 -1.046 20 0 CAADLO CNC(=O)C1(C(=O)N[C@H]2C[N@H+](CC(N)=O)CC2(C)C)CC1 ZINC001485576400 892936537 /nfs/dbraw/zinc/93/65/37/892936537.db2.gz AZRDIAGCGQJOKF-VIFPVBQESA-N 1 2 296.371 -1.176 20 0 CAADLO CNC(=O)C1(C(=O)N[C@H]2C[N@@H+](CC(N)=O)CC2(C)C)CC1 ZINC001485576400 892936540 /nfs/dbraw/zinc/93/65/40/892936540.db2.gz AZRDIAGCGQJOKF-VIFPVBQESA-N 1 2 296.371 -1.176 20 0 CAADLO C[C@@H](NC(=O)CCCCC(N)=O)C1C[NH+](CC(N)=O)C1 ZINC001485529438 892936780 /nfs/dbraw/zinc/93/67/80/892936780.db2.gz REUCGLUTTDSUBU-SECBINFHSA-N 1 2 284.360 -1.046 20 0 CAADLO C[C@@H](NC(=O)C[NH+]1CC([C@H](C)NC(=O)C(N)=O)C1)C1CC1 ZINC001485516941 892936902 /nfs/dbraw/zinc/93/69/02/892936902.db2.gz NBQMIDNJNWUHQY-BDAKNGLRSA-N 1 2 296.371 -1.177 20 0 CAADLO NC(=O)CC(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3cnon3)C[C@H]21 ZINC001485592245 892939381 /nfs/dbraw/zinc/93/93/81/892939381.db2.gz MSBFUPJYMZPOKV-OWUUHHOZSA-N 1 2 279.300 -1.261 20 0 CAADLO NC(=O)CC(=O)NC[C@@H]1[C@H]2C[N@H+](Cc3cnon3)C[C@H]21 ZINC001485592245 892939390 /nfs/dbraw/zinc/93/93/90/892939390.db2.gz MSBFUPJYMZPOKV-OWUUHHOZSA-N 1 2 279.300 -1.261 20 0 CAADLO Cn1nnnc1C[NH2+][C@H](CO)CNC(=O)c1cccnc1 ZINC001485969009 892956383 /nfs/dbraw/zinc/95/63/83/892956383.db2.gz KALDZSUJPNPOKV-JTQLQIEISA-N 1 2 291.315 -1.514 20 0 CAADLO Cn1[nH]c(C[NH2+][C@@H](CO)CNC(=O)C(C)(F)F)nc1=O ZINC001485967598 892957201 /nfs/dbraw/zinc/95/72/01/892957201.db2.gz STHRDRNYJIMNIN-ZCFIWIBFSA-N 1 2 293.274 -1.670 20 0 CAADLO CC(=O)NCC(=O)NC[C@@H](CO)[NH2+]Cc1nonc1C ZINC001485969799 892958503 /nfs/dbraw/zinc/95/85/03/892958503.db2.gz PFLFVERBQRPDJO-VIFPVBQESA-N 1 2 285.304 -1.919 20 0 CAADLO CC(=O)NCC(=O)NC[C@@H](CO)[NH2+][C@H](C)c1ncccn1 ZINC001485969473 892959866 /nfs/dbraw/zinc/95/98/66/892959866.db2.gz MVXBCEROMQOHNC-KOLCDFICSA-N 1 2 295.343 -1.260 20 0 CAADLO CC(=O)N(C)CC(=O)NC[C@H](CO)[NH2+]Cc1nnc(C)[nH]1 ZINC001485974958 892960415 /nfs/dbraw/zinc/96/04/15/892960415.db2.gz AVXXVGBLQPIMDP-SNVBAGLBSA-N 1 2 298.347 -1.842 20 0 CAADLO Cn1nnnc1C[NH2+][C@H](CO)CNC(=O)Cn1cccn1 ZINC001485973802 892960454 /nfs/dbraw/zinc/96/04/54/892960454.db2.gz ROWXDLURKMYRGF-VIFPVBQESA-N 1 2 294.319 -2.327 20 0 CAADLO CCn1ncnc1C[NH2+][C@H](CO)CNC(=O)CNC(C)=O ZINC001485970142 892960550 /nfs/dbraw/zinc/96/05/50/892960550.db2.gz RQVGTVKIVBPLBQ-JTQLQIEISA-N 1 2 298.347 -1.999 20 0 CAADLO CC(=O)NCC(=O)NC[C@H](CO)[NH2+]Cc1nnnn1C ZINC001485969856 892960789 /nfs/dbraw/zinc/96/07/89/892960789.db2.gz PZQJDORLYORUPX-MRVPVSSYSA-N 1 2 285.308 -3.087 20 0 CAADLO Cc1nnc(C[NH2+][C@H](CO)CNC(=O)c2cnn(C)c2)[nH]1 ZINC001485973765 892961243 /nfs/dbraw/zinc/96/12/43/892961243.db2.gz XDZORCOAOZJPMN-JTQLQIEISA-N 1 2 293.331 -1.273 20 0 CAADLO Cc1cc(C[NH2+][C@@H](CO)CNC(=O)[C@H]2COCCO2)no1 ZINC001485978016 892962996 /nfs/dbraw/zinc/96/29/96/892962996.db2.gz YGBSEGWHKHMKSJ-VXGBXAGGSA-N 1 2 299.327 -1.035 20 0 CAADLO CC(C)C(=O)NC[C@H](CO)[NH2+]Cc1nnnn1C ZINC001485975477 892963867 /nfs/dbraw/zinc/96/38/67/892963867.db2.gz RJTSOVPNMNPVOB-MRVPVSSYSA-N 1 2 256.310 -1.567 20 0 CAADLO CO[C@@H](C)CC(=O)NC[C@H](CO)[NH2+]Cc1nnnn1C ZINC001485979325 892965822 /nfs/dbraw/zinc/96/58/22/892965822.db2.gz HYNODKFVMHDXDG-DTWKUNHWSA-N 1 2 286.336 -1.798 20 0 CAADLO Cn1ncc(C[NH2+][C@@H](CO)CNC(=O)Cc2cc[nH]n2)n1 ZINC001485981856 892966883 /nfs/dbraw/zinc/96/68/83/892966883.db2.gz GLRUFSSFYNZTTE-LLVKDONJSA-N 1 2 293.331 -1.652 20 0 CAADLO CCn1ncc(C[NH2+][C@H](CO)CNC(=O)CC(N)=O)n1 ZINC001485982506 892967179 /nfs/dbraw/zinc/96/71/79/892967179.db2.gz MAKADJIGZKDCHR-VIFPVBQESA-N 1 2 284.320 -2.260 20 0 CAADLO CCC(=O)NCC(=O)NC[C@H](CO)[NH2+]Cc1nonc1C ZINC001485979735 892967862 /nfs/dbraw/zinc/96/78/62/892967862.db2.gz NRCNHMJLYDDDBD-SECBINFHSA-N 1 2 299.331 -1.529 20 0 CAADLO Cn1cc(C[NH2+][C@@H](CO)CNC(=O)Cc2ccon2)nn1 ZINC001485981953 892967902 /nfs/dbraw/zinc/96/79/02/892967902.db2.gz HLKAZTGXOVDLCB-LLVKDONJSA-N 1 2 294.315 -1.388 20 0 CAADLO Cn1ncc(C[NH2+][C@H](CO)CNC(=O)Cc2cc[nH]n2)n1 ZINC001485981859 892968026 /nfs/dbraw/zinc/96/80/26/892968026.db2.gz GLRUFSSFYNZTTE-NSHDSACASA-N 1 2 293.331 -1.652 20 0 CAADLO Cn1nnnc1C[NH2+][C@@H](CO)CNC(=O)C[C@@H]1CCOC1 ZINC001485982413 892969790 /nfs/dbraw/zinc/96/97/90/892969790.db2.gz LPLDDVQJQGQMGD-VHSXEESVSA-N 1 2 298.347 -1.797 20 0 CAADLO Cc1nc(C[NH2+][C@@H](CO)CNC(=O)[C@H]2CCC(=O)N2)co1 ZINC001485980311 892969980 /nfs/dbraw/zinc/96/99/80/892969980.db2.gz UFYFHYNUYWATHL-MWLCHTKSSA-N 1 2 296.327 -1.172 20 0 CAADLO CO[C@H](C)CC(=O)NC[C@H](CO)[NH2+]Cc1nnnn1C ZINC001485979327 892970150 /nfs/dbraw/zinc/97/01/50/892970150.db2.gz HYNODKFVMHDXDG-RKDXNWHRSA-N 1 2 286.336 -1.798 20 0 CAADLO Cn1cnnc1C[NH2+][C@H](CO)CNC(=O)[C@@H]1CCCCO1 ZINC001485987265 892972570 /nfs/dbraw/zinc/97/25/70/892972570.db2.gz KSOPIPNJRFQTML-QWRGUYRKSA-N 1 2 297.359 -1.049 20 0 CAADLO Cn1cnnc1C[NH2+][C@@H](CO)CNC(=O)[C@H]1CCCCO1 ZINC001485987263 892973030 /nfs/dbraw/zinc/97/30/30/892973030.db2.gz KSOPIPNJRFQTML-GHMZBOCLSA-N 1 2 297.359 -1.049 20 0 CAADLO CC1CC(C(=O)NC[C@@H](CO)[NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001485986243 892973406 /nfs/dbraw/zinc/97/34/06/892973406.db2.gz QNAXVLVMOKYWNN-RTBKNWGFSA-N 1 2 297.359 -1.279 20 0 CAADLO Cn1ncc(C[NH2+][C@H](CO)CNC(=O)[C@H]2CCCCO2)n1 ZINC001485987787 892974147 /nfs/dbraw/zinc/97/41/47/892974147.db2.gz TZJYDSMRKJRSNT-NWDGAFQWSA-N 1 2 297.359 -1.049 20 0 CAADLO Cc1nnc(C[NH2+][C@H](CO)CNC(=O)CC2(O)CCC2)[nH]1 ZINC001485994026 892977703 /nfs/dbraw/zinc/97/77/03/892977703.db2.gz QVZGHSCYKOGTHI-JTQLQIEISA-N 1 2 297.359 -1.015 20 0 CAADLO O=C(C[C@@H]1CCNC1=O)NC[C@@H](CO)[NH2+]Cc1ccon1 ZINC001486002508 892979680 /nfs/dbraw/zinc/97/96/80/892979680.db2.gz RVRXWOUEVYIKJQ-ONGXEEELSA-N 1 2 296.327 -1.233 20 0 CAADLO CNC(=O)NCC(=O)NC[C@H](CO)[NH2+]Cc1ncnn1C ZINC001486002679 892980576 /nfs/dbraw/zinc/98/05/76/892980576.db2.gz RXGHCQBKHDBFMS-MRVPVSSYSA-N 1 2 299.335 -2.689 20 0 CAADLO Cn1cncc1C(=O)NC[C@@H](CO)[NH2+]Cc1nnnn1C ZINC001486014559 892983801 /nfs/dbraw/zinc/98/38/01/892983801.db2.gz YMTBFUZKUTVMLA-QMMMGPOBSA-N 1 2 294.319 -2.176 20 0 CAADLO Cc1nnc(C[NH2+][C@H](CO)CNC(=O)C(N)=O)n1C1CC1 ZINC001486029548 892989902 /nfs/dbraw/zinc/98/99/02/892989902.db2.gz BCPKRGWBYQUYGF-QMMMGPOBSA-N 1 2 296.331 -2.027 20 0 CAADLO Cn1nnnc1C[NH2+][C@H](CO)CNC(=O)Cc1cnoc1 ZINC001486027041 892990401 /nfs/dbraw/zinc/99/04/01/892990401.db2.gz XYLOHACYBSEXLS-VIFPVBQESA-N 1 2 295.303 -1.993 20 0 CAADLO NC(=O)C(=O)NC[C@@H](CO)[NH2+]Cc1nc2ccccc2o1 ZINC001486031612 892994582 /nfs/dbraw/zinc/99/45/82/892994582.db2.gz URIMDQIBMHNMIG-QMMMGPOBSA-N 1 2 292.295 -1.120 20 0 CAADLO NC(=O)[C@@H]1C[C@@H]1C(=O)NC[C@@H](CO)[NH2+]Cc1nccs1 ZINC001486033566 892995836 /nfs/dbraw/zinc/99/58/36/892995836.db2.gz JHSMCTUFBGIJTM-YIZRAAEISA-N 1 2 298.368 -1.169 20 0 CAADLO Cn1cc(C[NH2+][C@@H](CO)CNC(=O)c2cnon2)nn1 ZINC001486043284 892998262 /nfs/dbraw/zinc/99/82/62/892998262.db2.gz JYTVLJFXBCDFJT-MRVPVSSYSA-N 1 2 281.276 -1.921 20 0 CAADLO Cn1ncnc1C[NH2+][C@@H](CO)CNC(=O)[C@]1(C)CCOC1 ZINC001486049309 892998438 /nfs/dbraw/zinc/99/84/38/892998438.db2.gz ZMXDUVWDTTVAHT-ZWNOBZJWSA-N 1 2 297.359 -1.192 20 0 CAADLO Cn1ncnc1C[NH2+][C@@H](CO)CNC(=O)[C@@]1(C)CCOC1 ZINC001486049307 892998725 /nfs/dbraw/zinc/99/87/25/892998725.db2.gz ZMXDUVWDTTVAHT-MFKMUULPSA-N 1 2 297.359 -1.192 20 0 CAADLO Cn1cc(C[NH2+][C@H](CO)CNC(=O)Cc2nc[nH]n2)nn1 ZINC001486050992 893002130 /nfs/dbraw/zinc/00/21/30/893002130.db2.gz VCLDUIBOHZLLSL-VIFPVBQESA-N 1 2 294.319 -2.257 20 0 CAADLO O=C(Cn1cncn1)NC[C@H](CO)[NH2+]Cc1ccon1 ZINC001486060132 893007289 /nfs/dbraw/zinc/00/72/89/893007289.db2.gz XFPGZBWPUJNMQC-SNVBAGLBSA-N 1 2 280.288 -1.467 20 0 CAADLO CN(C[C@H](O)C[NH2+]CC(N)=O)C(=O)C(F)C(F)(F)F ZINC001486276966 893031888 /nfs/dbraw/zinc/03/18/88/893031888.db2.gz BNYKXFVDGKTEQV-IYSWYEEDSA-N 1 2 289.229 -1.219 20 0 CAADLO CN(C[C@H](O)C[NH2+]CC(N)=O)C(=O)[C@@H](F)C(F)(F)F ZINC001486276966 893031907 /nfs/dbraw/zinc/03/19/07/893031907.db2.gz BNYKXFVDGKTEQV-IYSWYEEDSA-N 1 2 289.229 -1.219 20 0 CAADLO CN(C[C@H](O)C[NH2+]Cc1csnn1)C(=O)c1cn[nH]n1 ZINC001486288288 893037290 /nfs/dbraw/zinc/03/72/90/893037290.db2.gz PLIBVJVBUNTCEI-MRVPVSSYSA-N 1 2 297.344 -1.121 20 0 CAADLO CNC(=O)[C@H](C)[NH2+]C[C@H](O)CN(C)C(=O)Cc1ncn[nH]1 ZINC001486310268 893047096 /nfs/dbraw/zinc/04/70/96/893047096.db2.gz SKEDOVQBUJBWNV-IUCAKERBSA-N 1 2 298.347 -2.109 20 0 CAADLO COCC[N@H+](CCNC(=O)c1ccc(C)nn1)CC(N)=O ZINC001486428681 893065192 /nfs/dbraw/zinc/06/51/92/893065192.db2.gz OROMLWWCOULJAD-UHFFFAOYSA-N 1 2 295.343 -1.051 20 0 CAADLO COCC[N@@H+](CCNC(=O)c1ccc(C)nn1)CC(N)=O ZINC001486428681 893065207 /nfs/dbraw/zinc/06/52/07/893065207.db2.gz OROMLWWCOULJAD-UHFFFAOYSA-N 1 2 295.343 -1.051 20 0 CAADLO COCC[N@H+](CCNC(=O)[C@H]1[C@@H]2COC[C@@H]21)[C@H](C)C(N)=O ZINC001486431156 893068226 /nfs/dbraw/zinc/06/82/26/893068226.db2.gz UUNCXZBMWSCKIA-WYUUTHIRSA-N 1 2 299.371 -1.183 20 0 CAADLO COCC[N@@H+](CCNC(=O)[C@H]1[C@@H]2COC[C@@H]21)[C@H](C)C(N)=O ZINC001486431156 893068245 /nfs/dbraw/zinc/06/82/45/893068245.db2.gz UUNCXZBMWSCKIA-WYUUTHIRSA-N 1 2 299.371 -1.183 20 0 CAADLO COCC[N@H+](CCNC(=O)c1cn(C)nn1)[C@H](C)C(N)=O ZINC001486428034 893068927 /nfs/dbraw/zinc/06/89/27/893068927.db2.gz MUTUNQFFXJYYNF-SECBINFHSA-N 1 2 298.347 -1.633 20 0 CAADLO COCC[N@@H+](CCNC(=O)c1cn(C)nn1)[C@H](C)C(N)=O ZINC001486428034 893068942 /nfs/dbraw/zinc/06/89/42/893068942.db2.gz MUTUNQFFXJYYNF-SECBINFHSA-N 1 2 298.347 -1.633 20 0 CAADLO NC(=O)C(=O)NC[C@@H]1[C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]21 ZINC001487331480 893092256 /nfs/dbraw/zinc/09/22/56/893092256.db2.gz GKGFJEFYYINOJY-OWUUHHOZSA-N 1 2 291.311 -1.742 20 0 CAADLO CN(CCOCCNC(=O)Cc1c[nH]c[nH+]1)C(=O)C(N)=O ZINC001487591733 893096646 /nfs/dbraw/zinc/09/66/46/893096646.db2.gz QDRZGFVBTSXRAG-UHFFFAOYSA-N 1 2 297.315 -1.971 20 0 CAADLO CC(=O)NCC(=O)N[C@H](C)CN(C)C(=O)Cn1cc[nH+]c1 ZINC001487821399 893102360 /nfs/dbraw/zinc/10/23/60/893102360.db2.gz KJXWWGVINAFTBY-SNVBAGLBSA-N 1 2 295.343 -1.018 20 0 CAADLO C[C@H](CN(C)C(=O)Cc1c[nH+]c[nH]1)NC(=O)C(N)=O ZINC001487920530 893106478 /nfs/dbraw/zinc/10/64/78/893106478.db2.gz IJLQVSQXEISNHG-SSDOTTSWSA-N 1 2 267.289 -1.599 20 0 CAADLO O=C(Cn1cc[nH+]c1)N[C@H](CO)CNC(=O)C(F)F ZINC001487925609 893108451 /nfs/dbraw/zinc/10/84/51/893108451.db2.gz OUPYDBWHYSHUOP-ZETCQYMHSA-N 1 2 276.243 -1.259 20 0 CAADLO O=C(Cn1cc[nH+]c1)N[C@@H](CO)CNC(=O)C(F)F ZINC001487925608 893109211 /nfs/dbraw/zinc/10/92/11/893109211.db2.gz OUPYDBWHYSHUOP-SSDOTTSWSA-N 1 2 276.243 -1.259 20 0 CAADLO CCOCC(=O)NC[C@@H](CO)NC(=O)Cn1cc[nH+]c1 ZINC001487936350 893114346 /nfs/dbraw/zinc/11/43/46/893114346.db2.gz SXSYZKBOWYUSFP-JTQLQIEISA-N 1 2 284.316 -1.487 20 0 CAADLO CO[C@H](C)C(=O)NC[C@@H](CO)NC(=O)CCn1cc[nH+]c1 ZINC001487953903 893117829 /nfs/dbraw/zinc/11/78/29/893117829.db2.gz BZXPYCZZFUGJRA-MNOVXSKESA-N 1 2 298.343 -1.099 20 0 CAADLO CO[C@@H](C)C(=O)NC[C@H](CO)NC(=O)CCn1cc[nH+]c1 ZINC001487953905 893118459 /nfs/dbraw/zinc/11/84/59/893118459.db2.gz BZXPYCZZFUGJRA-WDEREUQCSA-N 1 2 298.343 -1.099 20 0 CAADLO CC[C@H](OC)C(=O)NC[C@H](CO)NC(=O)Cn1cc[nH+]c1 ZINC001487959386 893120506 /nfs/dbraw/zinc/12/05/06/893120506.db2.gz XSJOXCCQTWATRL-MNOVXSKESA-N 1 2 298.343 -1.099 20 0 CAADLO C[C@@H](CC(=O)NC[C@@H](CO)NC(=O)C(N)=O)n1cc[nH+]c1 ZINC001487994583 893129123 /nfs/dbraw/zinc/12/91/23/893129123.db2.gz AIPFKELNFWFJLX-IUCAKERBSA-N 1 2 297.315 -2.087 20 0 CAADLO CO[C@H](C)CC(=O)N[C@@H](CO)CNC(=O)Cn1cc[nH+]c1 ZINC001488030348 893133086 /nfs/dbraw/zinc/13/30/86/893133086.db2.gz RTBNSFPYQCDZLU-GHMZBOCLSA-N 1 2 298.343 -1.099 20 0 CAADLO O=C(Cn1cc[nH+]c1)NC[C@@H](CO)NC(=O)C1CC1 ZINC001488030012 893133098 /nfs/dbraw/zinc/13/30/98/893133098.db2.gz ODULNSLYJHJKQT-JTQLQIEISA-N 1 2 266.301 -1.114 20 0 CAADLO CCC(=O)N[C@@H](CO)CNC(=O)Cc1c[nH+]cn1C ZINC001488046259 893134277 /nfs/dbraw/zinc/13/42/77/893134277.db2.gz NCWBRZQABFVHJR-SECBINFHSA-N 1 2 268.317 -1.034 20 0 CAADLO NC(=O)C(=O)N[C@H](CO)CNC(=O)CCn1cc[nH+]c1 ZINC001488050142 893134723 /nfs/dbraw/zinc/13/47/23/893134723.db2.gz IHUYDBBKCOEDCJ-QMMMGPOBSA-N 1 2 283.288 -2.648 20 0 CAADLO CCC(=O)N[C@H](CO)CNC(=O)Cc1c[nH+]cn1C ZINC001488046260 893135963 /nfs/dbraw/zinc/13/59/63/893135963.db2.gz NCWBRZQABFVHJR-VIFPVBQESA-N 1 2 268.317 -1.034 20 0 CAADLO C[C@H](CC(=O)N[C@H](CO)CNC(=O)C(N)=O)n1cc[nH+]c1 ZINC001488081395 893140897 /nfs/dbraw/zinc/14/08/97/893140897.db2.gz QZIVMWAHCSTVQS-BDAKNGLRSA-N 1 2 297.315 -2.087 20 0 CAADLO O=C(Cc1[nH]cc[nH+]1)NC[C@H](CO)NC(=O)c1ccn[nH]1 ZINC001488077015 893141125 /nfs/dbraw/zinc/14/11/25/893141125.db2.gz DNRFXZDPNIBDCT-MRVPVSSYSA-N 1 2 292.299 -1.418 20 0 CAADLO C[C@@H](CC(=O)N[C@@H](CO)CNC(=O)C(N)=O)n1cc[nH+]c1 ZINC001488081396 893141481 /nfs/dbraw/zinc/14/14/81/893141481.db2.gz QZIVMWAHCSTVQS-DTWKUNHWSA-N 1 2 297.315 -2.087 20 0 CAADLO CCOCC(=O)N[C@@H](CO)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001488077156 893141730 /nfs/dbraw/zinc/14/17/30/893141730.db2.gz FXFRVXXOSYASCU-SECBINFHSA-N 1 2 284.316 -1.418 20 0 CAADLO O=C(Cc1[nH]cc[nH+]1)NC[C@@H](CO)NC(=O)c1ccon1 ZINC001488077364 893142080 /nfs/dbraw/zinc/14/20/80/893142080.db2.gz HTSDTAXNJPVVHP-QMMMGPOBSA-N 1 2 293.283 -1.153 20 0 CAADLO C[C@H](CC(=O)N[C@@H](CO)CNC(=O)C(N)=O)n1cc[nH+]c1 ZINC001488081398 893142850 /nfs/dbraw/zinc/14/28/50/893142850.db2.gz QZIVMWAHCSTVQS-RKDXNWHRSA-N 1 2 297.315 -2.087 20 0 CAADLO CC(C)(O)CC(=O)N[C@H](CO)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001488109588 893149389 /nfs/dbraw/zinc/14/93/89/893149389.db2.gz DDDMTHBEVXNIIC-JTQLQIEISA-N 1 2 298.343 -1.294 20 0 CAADLO CC(=O)NC[C@@H](O)CN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001488397676 893157759 /nfs/dbraw/zinc/15/77/59/893157759.db2.gz KEWCPCCPXJNACN-SECBINFHSA-N 1 2 254.290 -1.092 20 0 CAADLO CN(C[C@@H]1CC[N@@H+]1[C@H]1CCNC1=O)C(=O)CCNC(N)=O ZINC001488687724 893163279 /nfs/dbraw/zinc/16/32/79/893163279.db2.gz FOSOOMCBCCOZEA-UWVGGRQHSA-N 1 2 297.359 -1.534 20 0 CAADLO CN(C[C@@H]1CC[N@H+]1[C@H]1CCNC1=O)C(=O)CCNC(N)=O ZINC001488687724 893163282 /nfs/dbraw/zinc/16/32/82/893163282.db2.gz FOSOOMCBCCOZEA-UWVGGRQHSA-N 1 2 297.359 -1.534 20 0 CAADLO CN(C[C@H]1CC[N@@H+]1[C@@H]1CCNC1=O)C(=O)CCNC(N)=O ZINC001488687718 893165419 /nfs/dbraw/zinc/16/54/19/893165419.db2.gz FOSOOMCBCCOZEA-NXEZZACHSA-N 1 2 297.359 -1.534 20 0 CAADLO CN(C[C@H]1CC[N@H+]1[C@@H]1CCNC1=O)C(=O)CCNC(N)=O ZINC001488687718 893165424 /nfs/dbraw/zinc/16/54/24/893165424.db2.gz FOSOOMCBCCOZEA-NXEZZACHSA-N 1 2 297.359 -1.534 20 0 CAADLO C[C@@H]1[C@@H](NC(=O)CO[C@H]2CCOC2)CC[N@@H+]1CC(N)=O ZINC001489263037 893174112 /nfs/dbraw/zinc/17/41/12/893174112.db2.gz MWEAGDNBPLPCNK-VWYCJHECSA-N 1 2 285.344 -1.144 20 0 CAADLO C[C@@H]1[C@@H](NC(=O)CO[C@H]2CCOC2)CC[N@H+]1CC(N)=O ZINC001489263037 893174126 /nfs/dbraw/zinc/17/41/26/893174126.db2.gz MWEAGDNBPLPCNK-VWYCJHECSA-N 1 2 285.344 -1.144 20 0 CAADLO CC[C@@H](C)NC(=O)C[N@@H+]1CC[C@H](NC(=O)C(N)=O)[C@H]1C ZINC001489287200 893175059 /nfs/dbraw/zinc/17/50/59/893175059.db2.gz QSGOFNREEYCTKI-BBBLOLIVSA-N 1 2 284.360 -1.035 20 0 CAADLO CC[C@@H](C)NC(=O)C[N@H+]1CC[C@H](NC(=O)C(N)=O)[C@H]1C ZINC001489287200 893175065 /nfs/dbraw/zinc/17/50/65/893175065.db2.gz QSGOFNREEYCTKI-BBBLOLIVSA-N 1 2 284.360 -1.035 20 0 CAADLO COCC(=O)N[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1O ZINC001489282339 893176225 /nfs/dbraw/zinc/17/62/25/893176225.db2.gz RNEHWDSPEOIVFM-NXEZZACHSA-N 1 2 282.300 -1.783 20 0 CAADLO CCC(=O)N[C@@H](C)C(=O)N[C@H]1CC[N@H+](CC(N)=O)[C@@H]1C ZINC001489267277 893176269 /nfs/dbraw/zinc/17/62/69/893176269.db2.gz BKPJRVJJXFIUCL-AEJSXWLSSA-N 1 2 284.360 -1.035 20 0 CAADLO CCC(=O)N[C@@H](C)C(=O)N[C@H]1CC[N@@H+](CC(N)=O)[C@@H]1C ZINC001489267277 893176274 /nfs/dbraw/zinc/17/62/74/893176274.db2.gz BKPJRVJJXFIUCL-AEJSXWLSSA-N 1 2 284.360 -1.035 20 0 CAADLO CN(C[C@H]1CCN1C(=O)C(N)=O)C(=O)CCc1c[nH]c[nH+]1 ZINC001489754432 893184025 /nfs/dbraw/zinc/18/40/25/893184025.db2.gz CBINXAHTCRMMSO-SNVBAGLBSA-N 1 2 293.327 -1.113 20 0 CAADLO CN(C[C@H]1CCN1C(=O)C(N)=O)C(=O)CCc1c[nH+]c[nH]1 ZINC001489754432 893184033 /nfs/dbraw/zinc/18/40/33/893184033.db2.gz CBINXAHTCRMMSO-SNVBAGLBSA-N 1 2 293.327 -1.113 20 0 CAADLO CN(C[C@@H]1CCN1C(=O)C(N)=O)C(=O)CCc1c[nH]c[nH+]1 ZINC001489754431 893184312 /nfs/dbraw/zinc/18/43/12/893184312.db2.gz CBINXAHTCRMMSO-JTQLQIEISA-N 1 2 293.327 -1.113 20 0 CAADLO CN(C[C@@H]1CCN1C(=O)C(N)=O)C(=O)CCc1c[nH+]c[nH]1 ZINC001489754431 893184319 /nfs/dbraw/zinc/18/43/19/893184319.db2.gz CBINXAHTCRMMSO-JTQLQIEISA-N 1 2 293.327 -1.113 20 0 CAADLO Cn1c[nH+]cc1CC(=O)N[C@H]1C[C@@H](CNC(=O)C(N)=O)C1 ZINC001489844953 893187861 /nfs/dbraw/zinc/18/78/61/893187861.db2.gz NCBOYKXKIYRABP-DTORHVGOSA-N 1 2 293.327 -1.541 20 0 CAADLO CN(C[C@@H]1CCN1C(=O)C(N)=O)C(=O)CCn1cc[nH+]c1 ZINC001489766200 893189279 /nfs/dbraw/zinc/18/92/79/893189279.db2.gz BXNVPWUQTCALLQ-JTQLQIEISA-N 1 2 293.327 -1.182 20 0 CAADLO Cn1c[nH+]cc1CC(=O)NC[C@H]1C[C@@H](NC(=O)C(N)=O)C1 ZINC001489834186 893189321 /nfs/dbraw/zinc/18/93/21/893189321.db2.gz XENLWGRSFSFUQH-DTORHVGOSA-N 1 2 293.327 -1.541 20 0 CAADLO CNC(=O)C[N@H+](C)CCCNC(=O)Cc1n[nH]c(C)n1 ZINC001490193805 893190696 /nfs/dbraw/zinc/19/06/96/893190696.db2.gz YQXUAFXXCYZUBA-UHFFFAOYSA-N 1 2 282.348 -1.160 20 0 CAADLO CNC(=O)C[N@@H+](C)CCCNC(=O)Cc1n[nH]c(C)n1 ZINC001490193805 893190700 /nfs/dbraw/zinc/19/07/00/893190700.db2.gz YQXUAFXXCYZUBA-UHFFFAOYSA-N 1 2 282.348 -1.160 20 0 CAADLO Cn1cnnc1C[N@H+](C)CCCNC(=O)CC(N)=O ZINC001490170101 893191770 /nfs/dbraw/zinc/19/17/70/893191770.db2.gz UEVWNIIERNSYCI-UHFFFAOYSA-N 1 2 268.321 -1.371 20 0 CAADLO Cn1cnnc1C[N@@H+](C)CCCNC(=O)CC(N)=O ZINC001490170101 893191778 /nfs/dbraw/zinc/19/17/78/893191778.db2.gz UEVWNIIERNSYCI-UHFFFAOYSA-N 1 2 268.321 -1.371 20 0 CAADLO C[C@@H](c1nncn1C)[N@H+](C)CCCNC(=O)C(N)=O ZINC001490245124 893194137 /nfs/dbraw/zinc/19/41/37/893194137.db2.gz JUZBHKJXBYVDBO-QMMMGPOBSA-N 1 2 268.321 -1.201 20 0 CAADLO C[C@@H](c1nncn1C)[N@@H+](C)CCCNC(=O)C(N)=O ZINC001490245124 893194143 /nfs/dbraw/zinc/19/41/43/893194143.db2.gz JUZBHKJXBYVDBO-QMMMGPOBSA-N 1 2 268.321 -1.201 20 0 CAADLO C[N@H+](CCCNC(=O)Cc1nnc[nH]1)CC(N)=O ZINC001490269119 893194391 /nfs/dbraw/zinc/19/43/91/893194391.db2.gz YBERUUPWBXBXHS-UHFFFAOYSA-N 1 2 254.294 -1.729 20 0 CAADLO C[N@@H+](CCCNC(=O)Cc1nnc[nH]1)CC(N)=O ZINC001490269119 893194397 /nfs/dbraw/zinc/19/43/97/893194397.db2.gz YBERUUPWBXBXHS-UHFFFAOYSA-N 1 2 254.294 -1.729 20 0 CAADLO Cc1noc(C[N@H+](C)CCCNC(=O)[C@@H]2CNC(=O)N2)n1 ZINC001490240017 893194475 /nfs/dbraw/zinc/19/44/75/893194475.db2.gz HZRDWKFTSHPXHL-VIFPVBQESA-N 1 2 296.331 -1.002 20 0 CAADLO Cc1noc(C[N@@H+](C)CCCNC(=O)[C@@H]2CNC(=O)N2)n1 ZINC001490240017 893194479 /nfs/dbraw/zinc/19/44/79/893194479.db2.gz HZRDWKFTSHPXHL-VIFPVBQESA-N 1 2 296.331 -1.002 20 0 CAADLO Cn1ncc(C[N@H+](C)CCCNC(=O)CCNC(N)=O)n1 ZINC001490275890 893196279 /nfs/dbraw/zinc/19/62/79/893196279.db2.gz JDIOEMDKUFMQNR-UHFFFAOYSA-N 1 2 297.363 -1.188 20 0 CAADLO Cn1ncc(C[N@@H+](C)CCCNC(=O)CCNC(N)=O)n1 ZINC001490275890 893196290 /nfs/dbraw/zinc/19/62/90/893196290.db2.gz JDIOEMDKUFMQNR-UHFFFAOYSA-N 1 2 297.363 -1.188 20 0 CAADLO CC(=O)NCC[NH+]1CCN(Cc2nc(=O)n(C)[nH]2)CC1 ZINC001490478993 893198721 /nfs/dbraw/zinc/19/87/21/893198721.db2.gz UDRLNJXPPWIUTM-UHFFFAOYSA-N 1 2 282.348 -1.638 20 0 CAADLO NC(=O)CC(=O)N[C@@H]1CCC[N@H+](CC(=O)NCC2CC2)C1 ZINC001490430860 893199049 /nfs/dbraw/zinc/19/90/49/893199049.db2.gz KWCXOEWVZZZUAU-LLVKDONJSA-N 1 2 296.371 -1.031 20 0 CAADLO NC(=O)CC(=O)N[C@@H]1CCC[N@@H+](CC(=O)NCC2CC2)C1 ZINC001490430860 893199059 /nfs/dbraw/zinc/19/90/59/893199059.db2.gz KWCXOEWVZZZUAU-LLVKDONJSA-N 1 2 296.371 -1.031 20 0 CAADLO CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)[C@H](C)NC(N)=O)C1 ZINC001490435297 893200622 /nfs/dbraw/zinc/20/06/22/893200622.db2.gz RVECYXWHNAZZBF-UWVGGRQHSA-N 1 2 299.375 -1.240 20 0 CAADLO CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)[C@H](C)NC(N)=O)C1 ZINC001490435297 893200640 /nfs/dbraw/zinc/20/06/40/893200640.db2.gz RVECYXWHNAZZBF-UWVGGRQHSA-N 1 2 299.375 -1.240 20 0 CAADLO COC(=O)NCC(=O)N[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001490524037 893206659 /nfs/dbraw/zinc/20/66/59/893206659.db2.gz ASRYEXGTMPMCKU-SSDOTTSWSA-N 1 2 258.278 -1.982 20 0 CAADLO COC(=O)NCC(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001490524037 893206675 /nfs/dbraw/zinc/20/66/75/893206675.db2.gz ASRYEXGTMPMCKU-SSDOTTSWSA-N 1 2 258.278 -1.982 20 0 CAADLO Cn1nnc(CN2CC[NH+](CCNC(=O)C3CC3)CC2)n1 ZINC001490478927 893203893 /nfs/dbraw/zinc/20/38/93/893203893.db2.gz QZYVMCOTHACOQH-UHFFFAOYSA-N 1 2 293.375 -1.146 20 0 CAADLO CCNC(=O)CC(=O)NCC[NH+]1CCN(CC(N)=O)CC1 ZINC001490487730 893206617 /nfs/dbraw/zinc/20/66/17/893206617.db2.gz MOMBMULYLCQOJG-UHFFFAOYSA-N 1 2 299.375 -2.268 20 0 CAADLO NC(=O)[C@@H]1C[C@@H]1C(=O)NCC[NH+]1CCN(CCF)CC1 ZINC001490506022 893207397 /nfs/dbraw/zinc/20/73/97/893207397.db2.gz UECJRWVKELAFPH-MNOVXSKESA-N 1 2 286.351 -1.189 20 0 CAADLO COC(=O)NCC(=O)N[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001490524039 893207604 /nfs/dbraw/zinc/20/76/04/893207604.db2.gz ASRYEXGTMPMCKU-ZETCQYMHSA-N 1 2 258.278 -1.982 20 0 CAADLO COC(=O)NCC(=O)N[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001490524039 893207615 /nfs/dbraw/zinc/20/76/15/893207615.db2.gz ASRYEXGTMPMCKU-ZETCQYMHSA-N 1 2 258.278 -1.982 20 0 CAADLO C[C@@H](C(N)=O)[NH+]1CCN(CCNC(=O)[C@H]2CCOC2)CC1 ZINC001490485019 893207840 /nfs/dbraw/zinc/20/78/40/893207840.db2.gz OTEKEXZZLFOTNH-RYUDHWBXSA-N 1 2 298.387 -1.370 20 0 CAADLO CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)COCCOC)C1 ZINC001490531412 893208007 /nfs/dbraw/zinc/20/80/07/893208007.db2.gz XGVOTKBUSJJKAD-NSHDSACASA-N 1 2 287.360 -1.024 20 0 CAADLO CCNC(=O)C[N@H+]1CC[C@H](NC(=O)COCCOC)C1 ZINC001490531412 893208026 /nfs/dbraw/zinc/20/80/26/893208026.db2.gz XGVOTKBUSJJKAD-NSHDSACASA-N 1 2 287.360 -1.024 20 0 CAADLO CCCNC(=O)[C@H](C)[N@@H+]1CC[C@H](NC(=O)C(N)=O)C1 ZINC001490558155 893210889 /nfs/dbraw/zinc/21/08/89/893210889.db2.gz ATVUWFYNMKPVLL-IUCAKERBSA-N 1 2 270.333 -1.423 20 0 CAADLO CCCNC(=O)[C@H](C)[N@H+]1CC[C@H](NC(=O)C(N)=O)C1 ZINC001490558155 893210910 /nfs/dbraw/zinc/21/09/10/893210910.db2.gz ATVUWFYNMKPVLL-IUCAKERBSA-N 1 2 270.333 -1.423 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)CCN2CCCC2=O)C1 ZINC001490576264 893211214 /nfs/dbraw/zinc/21/12/14/893211214.db2.gz FKKRDQMHDYQJTR-SNVBAGLBSA-N 1 2 282.344 -1.325 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)CCN2CCCC2=O)C1 ZINC001490576264 893211229 /nfs/dbraw/zinc/21/12/29/893211229.db2.gz FKKRDQMHDYQJTR-SNVBAGLBSA-N 1 2 282.344 -1.325 20 0 CAADLO CCCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](NC(=O)C(N)=O)C1 ZINC001490558154 893212151 /nfs/dbraw/zinc/21/21/51/893212151.db2.gz ATVUWFYNMKPVLL-DTWKUNHWSA-N 1 2 270.333 -1.423 20 0 CAADLO CCCNC(=O)[C@H](C)[N@H+]1CC[C@@H](NC(=O)C(N)=O)C1 ZINC001490558154 893212166 /nfs/dbraw/zinc/21/21/66/893212166.db2.gz ATVUWFYNMKPVLL-DTWKUNHWSA-N 1 2 270.333 -1.423 20 0 CAADLO CCN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)C(N)=O)C1 ZINC001490558885 893214034 /nfs/dbraw/zinc/21/40/34/893214034.db2.gz MXPUDGOXMJCVPZ-QMMMGPOBSA-N 1 2 256.306 -1.860 20 0 CAADLO CCN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)C(N)=O)C1 ZINC001490558885 893214049 /nfs/dbraw/zinc/21/40/49/893214049.db2.gz MXPUDGOXMJCVPZ-QMMMGPOBSA-N 1 2 256.306 -1.860 20 0 CAADLO CNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@H](NC(=O)C(N)=O)C1 ZINC001490558124 893214078 /nfs/dbraw/zinc/21/40/78/893214078.db2.gz ADHHSMMKAONQQE-BQBZGAKWSA-N 1 2 285.304 -2.494 20 0 CAADLO CNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@H](NC(=O)C(N)=O)C1 ZINC001490558124 893214090 /nfs/dbraw/zinc/21/40/90/893214090.db2.gz ADHHSMMKAONQQE-BQBZGAKWSA-N 1 2 285.304 -2.494 20 0 CAADLO COCCOCCC(=O)N[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001490581097 893214404 /nfs/dbraw/zinc/21/44/04/893214404.db2.gz VVOFTZZVQUVTGH-SNVBAGLBSA-N 1 2 273.333 -1.285 20 0 CAADLO COCCOCCC(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001490581097 893214423 /nfs/dbraw/zinc/21/44/23/893214423.db2.gz VVOFTZZVQUVTGH-SNVBAGLBSA-N 1 2 273.333 -1.285 20 0 CAADLO CC(=O)NCC(=O)NCCNC(=O)Cn1cc[nH+]c1 ZINC001491072280 893234470 /nfs/dbraw/zinc/23/44/70/893234470.db2.gz WTEGKPQQNPOLID-UHFFFAOYSA-N 1 2 267.289 -1.748 20 0 CAADLO Cn1nnnc1C[N@@H+]1CCC[C@@H](CNC(=O)C(N)=O)C1 ZINC001491120146 893242191 /nfs/dbraw/zinc/24/21/91/893242191.db2.gz LKNQWGSICFVRLA-QMMMGPOBSA-N 1 2 281.320 -1.976 20 0 CAADLO Cn1nnnc1C[N@H+]1CCC[C@@H](CNC(=O)C(N)=O)C1 ZINC001491120146 893242210 /nfs/dbraw/zinc/24/22/10/893242210.db2.gz LKNQWGSICFVRLA-QMMMGPOBSA-N 1 2 281.320 -1.976 20 0 CAADLO CC[C@@H](C(=O)NCCNC(=O)CS(C)(=O)=O)[NH+](C)C ZINC001491155293 893244444 /nfs/dbraw/zinc/24/44/44/893244444.db2.gz CDBOIPSOTIECNB-VIFPVBQESA-N 1 2 293.389 -1.396 20 0 CAADLO O=C(CNC(=O)C1CC1)NCCNC(=O)Cn1cc[nH+]c1 ZINC001491137718 893246125 /nfs/dbraw/zinc/24/61/25/893246125.db2.gz JUKVRRVTRIJVTC-UHFFFAOYSA-N 1 2 293.327 -1.358 20 0 CAADLO COC(=O)[C@@H]1C[C@@H]1C(=O)NCCNC(=O)Cn1cc[nH+]c1 ZINC001491174432 893247419 /nfs/dbraw/zinc/24/74/19/893247419.db2.gz GDPSQCGZZMMWKP-VHSXEESVSA-N 1 2 294.311 -1.075 20 0 CAADLO COC(=O)[C@H]1C[C@H]1C(=O)NCCNC(=O)Cn1cc[nH+]c1 ZINC001491174433 893249940 /nfs/dbraw/zinc/24/99/40/893249940.db2.gz GDPSQCGZZMMWKP-ZJUUUORDSA-N 1 2 294.311 -1.075 20 0 CAADLO CNC(=O)C[N@@H+]1CCCC[C@H]1CNC(=O)C(N)=O ZINC001491223874 893253101 /nfs/dbraw/zinc/25/31/01/893253101.db2.gz FUUDQTILHCQAHM-QMMMGPOBSA-N 1 2 256.306 -1.812 20 0 CAADLO CNC(=O)C[N@H+]1CCCC[C@H]1CNC(=O)C(N)=O ZINC001491223874 893253114 /nfs/dbraw/zinc/25/31/14/893253114.db2.gz FUUDQTILHCQAHM-QMMMGPOBSA-N 1 2 256.306 -1.812 20 0 CAADLO CNC(=O)C[N@@H+]1CCCC[C@@H]1CNC(=O)C(N)=O ZINC001491223872 893253466 /nfs/dbraw/zinc/25/34/66/893253466.db2.gz FUUDQTILHCQAHM-MRVPVSSYSA-N 1 2 256.306 -1.812 20 0 CAADLO CNC(=O)C[N@H+]1CCCC[C@@H]1CNC(=O)C(N)=O ZINC001491223872 893253482 /nfs/dbraw/zinc/25/34/82/893253482.db2.gz FUUDQTILHCQAHM-MRVPVSSYSA-N 1 2 256.306 -1.812 20 0 CAADLO C[C@H](CC(=O)NCCNC(=O)C(N)=O)n1cc[nH+]c1 ZINC001491311367 893262491 /nfs/dbraw/zinc/26/24/91/893262491.db2.gz LVQNTFDPRGFLPU-MRVPVSSYSA-N 1 2 267.289 -1.448 20 0 CAADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCCNC(=O)C(N)=O ZINC001491332216 893265213 /nfs/dbraw/zinc/26/52/13/893265213.db2.gz JUGFOUNRBTUGDY-ZETCQYMHSA-N 1 2 267.289 -1.694 20 0 CAADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCCNC(=O)C(N)=O ZINC001491332216 893265229 /nfs/dbraw/zinc/26/52/29/893265229.db2.gz JUGFOUNRBTUGDY-ZETCQYMHSA-N 1 2 267.289 -1.694 20 0 CAADLO CC(=O)NCC(=O)NC[C@@H](C)[NH2+]Cc1cnon1 ZINC001491379786 893267617 /nfs/dbraw/zinc/26/76/17/893267617.db2.gz RLGUGFSPSCQRSY-SSDOTTSWSA-N 1 2 255.278 -1.200 20 0 CAADLO C[C@@H](CNC(=O)c1cnsn1)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001491400205 893269705 /nfs/dbraw/zinc/26/97/05/893269705.db2.gz BVCPWBHSTBPSAZ-LURJTMIESA-N 1 2 297.344 -1.132 20 0 CAADLO NC(=O)[C@H]1CC[C@H]1C(=O)NCCNC(=O)Cn1cc[nH+]c1 ZINC001491420397 893271364 /nfs/dbraw/zinc/27/13/64/893271364.db2.gz ASJURXQNVOXVBJ-VHSXEESVSA-N 1 2 293.327 -1.373 20 0 CAADLO NC(=O)[C@@H]1CC[C@@H]1C(=O)NCCNC(=O)Cn1cc[nH+]c1 ZINC001491420398 893274712 /nfs/dbraw/zinc/27/47/12/893274712.db2.gz ASJURXQNVOXVBJ-ZJUUUORDSA-N 1 2 293.327 -1.373 20 0 CAADLO Cc1c[nH+]cn1CC(=O)NCCNC(=O)c1nnc[nH]1 ZINC001491461050 893276172 /nfs/dbraw/zinc/27/61/72/893276172.db2.gz CPFYZADFGMLDMP-UHFFFAOYSA-N 1 2 277.288 -1.144 20 0 CAADLO Cc1c[nH+]cn1CC(=O)NCCNC(=O)c1ncn[nH]1 ZINC001491461050 893276191 /nfs/dbraw/zinc/27/61/91/893276191.db2.gz CPFYZADFGMLDMP-UHFFFAOYSA-N 1 2 277.288 -1.144 20 0 CAADLO Cc1c[nH+]cn1CC(=O)NCCNC(=O)c1nc[nH]n1 ZINC001491461050 893276205 /nfs/dbraw/zinc/27/62/05/893276205.db2.gz CPFYZADFGMLDMP-UHFFFAOYSA-N 1 2 277.288 -1.144 20 0 CAADLO Cn1c(C(=O)NCCNC(=O)Cc2c[nH]c[nH+]2)c[nH]c1=O ZINC001491499301 893281216 /nfs/dbraw/zinc/28/12/16/893281216.db2.gz CZVUXNCQRVCWKL-UHFFFAOYSA-N 1 2 292.299 -1.063 20 0 CAADLO CN1C[C@@H](C(=O)NCCNC(=O)Cc2c[nH]c[nH+]2)NC1=O ZINC001491501972 893282563 /nfs/dbraw/zinc/28/25/63/893282563.db2.gz HVLZDUZZTPNRDS-VIFPVBQESA-N 1 2 294.315 -1.792 20 0 CAADLO Cn1cc[nH+]c1CCC(=O)NCCNC(=O)C(N)=O ZINC001491511042 893286084 /nfs/dbraw/zinc/28/60/84/893286084.db2.gz MJWFSOJLCMCDQP-UHFFFAOYSA-N 1 2 267.289 -1.930 20 0 CAADLO CCc1noc(C[NH2+][C@@H](C)CNC(=O)[C@H]2CNC(=O)N2)n1 ZINC001491566455 893293192 /nfs/dbraw/zinc/29/31/92/893293192.db2.gz IZBOFVWGBITONW-JGVFFNPUSA-N 1 2 296.331 -1.092 20 0 CAADLO C[C@H](CNC(=O)C(N)=O)[NH2+][C@H](C)c1nnnn1C1CC1 ZINC001491570672 893295018 /nfs/dbraw/zinc/29/50/18/893295018.db2.gz PRRWUDDXONPJSI-RNFRBKRXSA-N 1 2 281.320 -1.351 20 0 CAADLO C[C@@H]([NH2+][C@@H](C)CNC(=O)C(N)=O)c1nnnn1C1CC1 ZINC001491570671 893295053 /nfs/dbraw/zinc/29/50/53/893295053.db2.gz PRRWUDDXONPJSI-NKWVEPMBSA-N 1 2 281.320 -1.351 20 0 CAADLO C[C@@H](CNC(=O)CC[NH+](C)C)NCc1nc(=O)n(C)[nH]1 ZINC001491567191 893295977 /nfs/dbraw/zinc/29/59/77/893295977.db2.gz DGVPEEQDBCCCHH-VIFPVBQESA-N 1 2 284.364 -1.346 20 0 CAADLO C[C@H](CNC(=O)[C@H]1C[C@H]1C(N)=O)[NH2+]Cc1cnon1 ZINC001491581081 893298049 /nfs/dbraw/zinc/29/80/49/893298049.db2.gz ZGGMCNGOHGFQEW-VDAHYXPESA-N 1 2 267.289 -1.215 20 0 CAADLO C[C@@H](CNC(=O)[C@H]1C[C@H]1C(N)=O)[NH2+]Cc1cnon1 ZINC001491581082 893298752 /nfs/dbraw/zinc/29/87/52/893298752.db2.gz ZGGMCNGOHGFQEW-ZQARSLAVSA-N 1 2 267.289 -1.215 20 0 CAADLO C[C@H](CC(=O)NCCCNC(=O)C(N)=O)n1cc[nH+]c1 ZINC001491709311 893305615 /nfs/dbraw/zinc/30/56/15/893305615.db2.gz JXAYPHPMWSCAPP-SECBINFHSA-N 1 2 281.316 -1.058 20 0 CAADLO NC(=O)C(=O)NCCCNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001491738373 893306481 /nfs/dbraw/zinc/30/64/81/893306481.db2.gz VJCDSIIFCCFONJ-VIFPVBQESA-N 1 2 293.327 -1.447 20 0 CAADLO Cn1nncc1C(=O)NCCCNC(=O)Cn1cc[nH+]c1 ZINC001491684314 893308254 /nfs/dbraw/zinc/30/82/54/893308254.db2.gz JQGYVRWTRNPIOC-UHFFFAOYSA-N 1 2 291.315 -1.052 20 0 CAADLO NC(=O)C(=O)NCCCNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001491738372 893308966 /nfs/dbraw/zinc/30/89/66/893308966.db2.gz VJCDSIIFCCFONJ-SECBINFHSA-N 1 2 293.327 -1.447 20 0 CAADLO O=C(Cc1[nH]cc[nH+]1)NCCCNC(=O)[C@@H]1CNC(=O)N1 ZINC001491769322 893310678 /nfs/dbraw/zinc/31/06/78/893310678.db2.gz QMKJRYNDGRDIEB-QMMMGPOBSA-N 1 2 294.315 -1.744 20 0 CAADLO CNC(=O)CC(=O)N[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001491905265 893317639 /nfs/dbraw/zinc/31/76/39/893317639.db2.gz PPZUBJSVNWQWGH-SECBINFHSA-N 1 2 293.327 -1.195 20 0 CAADLO CN(C(=O)CCn1cc[nH+]c1)[C@@H]1CCN(C(=O)C(N)=O)C1 ZINC001492011390 893321120 /nfs/dbraw/zinc/32/11/20/893321120.db2.gz KOFMSDGUCWRLKR-SNVBAGLBSA-N 1 2 293.327 -1.182 20 0 CAADLO CN(C(=O)CCn1cc[nH+]c1)[C@H]1CCN(C(=O)C(N)=O)C1 ZINC001492011389 893324307 /nfs/dbraw/zinc/32/43/07/893324307.db2.gz KOFMSDGUCWRLKR-JTQLQIEISA-N 1 2 293.327 -1.182 20 0 CAADLO C[C@H](C(=O)NCC[N@H+](C)CC(N)=O)n1cccn1 ZINC001492197296 893324848 /nfs/dbraw/zinc/32/48/48/893324848.db2.gz SLZZRUMSNLVEDK-SECBINFHSA-N 1 2 253.306 -1.023 20 0 CAADLO C[C@H](C(=O)NCC[N@@H+](C)CC(N)=O)n1cccn1 ZINC001492197296 893324866 /nfs/dbraw/zinc/32/48/66/893324866.db2.gz SLZZRUMSNLVEDK-SECBINFHSA-N 1 2 253.306 -1.023 20 0 CAADLO C[N@H+](CCNC(=O)CNC(=O)C1CC1)CC(=O)N1CCC1 ZINC001492197893 893325376 /nfs/dbraw/zinc/32/53/76/893325376.db2.gz IZHMKVGTFWBKFQ-UHFFFAOYSA-N 1 2 296.371 -1.207 20 0 CAADLO C[N@@H+](CCNC(=O)CNC(=O)C1CC1)CC(=O)N1CCC1 ZINC001492197893 893325396 /nfs/dbraw/zinc/32/53/96/893325396.db2.gz IZHMKVGTFWBKFQ-UHFFFAOYSA-N 1 2 296.371 -1.207 20 0 CAADLO CNC(=O)C[N@H+](C)CCNC(=O)CCn1cncn1 ZINC001492194026 893327000 /nfs/dbraw/zinc/32/70/00/893327000.db2.gz CJMUPHZPLMUYLF-UHFFFAOYSA-N 1 2 268.321 -1.538 20 0 CAADLO CNC(=O)C[N@@H+](C)CCNC(=O)CCn1cncn1 ZINC001492194026 893327022 /nfs/dbraw/zinc/32/70/22/893327022.db2.gz CJMUPHZPLMUYLF-UHFFFAOYSA-N 1 2 268.321 -1.538 20 0 CAADLO CC(=O)NCC(=O)NCC[N@@H+](C)CC(=O)NCC1CC1 ZINC001492184202 893327964 /nfs/dbraw/zinc/32/79/64/893327964.db2.gz SOCKMNCGDQRBSP-UHFFFAOYSA-N 1 2 284.360 -1.303 20 0 CAADLO CC(=O)NCC(=O)NCC[N@H+](C)CC(=O)NCC1CC1 ZINC001492184202 893327984 /nfs/dbraw/zinc/32/79/84/893327984.db2.gz SOCKMNCGDQRBSP-UHFFFAOYSA-N 1 2 284.360 -1.303 20 0 CAADLO CCN(C)C(=O)C[N@H+](C)CCNC(=O)c1cn(C)nn1 ZINC001492243824 893333204 /nfs/dbraw/zinc/33/32/04/893333204.db2.gz XDVIXRMTBIMYKB-UHFFFAOYSA-N 1 2 282.348 -1.045 20 0 CAADLO CCN(C)C(=O)C[N@@H+](C)CCNC(=O)c1cn(C)nn1 ZINC001492243824 893333222 /nfs/dbraw/zinc/33/32/22/893333222.db2.gz XDVIXRMTBIMYKB-UHFFFAOYSA-N 1 2 282.348 -1.045 20 0 CAADLO COc1cc(C[N@H+](C)CCNC(=O)Cn2ncnn2)on1 ZINC001492252382 893339207 /nfs/dbraw/zinc/33/92/07/893339207.db2.gz LAJDEDKIIPHOSH-UHFFFAOYSA-N 1 2 295.303 -1.082 20 0 CAADLO COc1cc(C[N@@H+](C)CCNC(=O)Cn2ncnn2)on1 ZINC001492252382 893339225 /nfs/dbraw/zinc/33/92/25/893339225.db2.gz LAJDEDKIIPHOSH-UHFFFAOYSA-N 1 2 295.303 -1.082 20 0 CAADLO CNC(=O)C[N@H+](C)CCNC(=O)C[C@H]1CCC(=O)NC1 ZINC001492278683 893340769 /nfs/dbraw/zinc/34/07/69/893340769.db2.gz SIIAMAQMNBQNTP-SNVBAGLBSA-N 1 2 284.360 -1.303 20 0 CAADLO CNC(=O)C[N@@H+](C)CCNC(=O)C[C@H]1CCC(=O)NC1 ZINC001492278683 893340787 /nfs/dbraw/zinc/34/07/87/893340787.db2.gz SIIAMAQMNBQNTP-SNVBAGLBSA-N 1 2 284.360 -1.303 20 0 CAADLO C[N@H+](CCNC(=O)c1cc2n(n1)CCO2)CC(N)=O ZINC001492284759 893341374 /nfs/dbraw/zinc/34/13/74/893341374.db2.gz IFKLKJGDUXLRKZ-UHFFFAOYSA-N 1 2 267.289 -1.578 20 0 CAADLO C[N@@H+](CCNC(=O)c1cc2n(n1)CCO2)CC(N)=O ZINC001492284759 893341398 /nfs/dbraw/zinc/34/13/98/893341398.db2.gz IFKLKJGDUXLRKZ-UHFFFAOYSA-N 1 2 267.289 -1.578 20 0 CAADLO C[N@H+](CCNC(=O)Cc1nnn(C(C)(C)C)n1)CC(N)=O ZINC001492261213 893343593 /nfs/dbraw/zinc/34/35/93/893343593.db2.gz BJDJNWWHZGIGTB-UHFFFAOYSA-N 1 2 297.363 -1.496 20 0 CAADLO C[N@@H+](CCNC(=O)Cc1nnn(C(C)(C)C)n1)CC(N)=O ZINC001492261213 893343614 /nfs/dbraw/zinc/34/36/14/893343614.db2.gz BJDJNWWHZGIGTB-UHFFFAOYSA-N 1 2 297.363 -1.496 20 0 CAADLO C[N@H+](CCNC(=O)CN1CCCCC1=O)CC(N)=O ZINC001492317679 893345402 /nfs/dbraw/zinc/34/54/02/893345402.db2.gz NCYOSMFKSZXBPG-UHFFFAOYSA-N 1 2 270.333 -1.468 20 0 CAADLO C[N@@H+](CCNC(=O)CN1CCCCC1=O)CC(N)=O ZINC001492317679 893345423 /nfs/dbraw/zinc/34/54/23/893345423.db2.gz NCYOSMFKSZXBPG-UHFFFAOYSA-N 1 2 270.333 -1.468 20 0 CAADLO C[C@@H](CC(N)=O)C(=O)NCC[N@H+](C)CC(=O)N(C)C ZINC001492369298 893345830 /nfs/dbraw/zinc/34/58/30/893345830.db2.gz FDPUBVGWUGDKTD-VIFPVBQESA-N 1 2 272.349 -1.366 20 0 CAADLO C[C@@H](CC(N)=O)C(=O)NCC[N@@H+](C)CC(=O)N(C)C ZINC001492369298 893345847 /nfs/dbraw/zinc/34/58/47/893345847.db2.gz FDPUBVGWUGDKTD-VIFPVBQESA-N 1 2 272.349 -1.366 20 0 CAADLO CCNC(=O)C[N@H+](C)CCNC(=O)[C@@]1(C)CCNC1=O ZINC001492413633 893345974 /nfs/dbraw/zinc/34/59/74/893345974.db2.gz BMNRBDZCZIKFFP-ZDUSSCGKSA-N 1 2 284.360 -1.303 20 0 CAADLO CCNC(=O)C[N@@H+](C)CCNC(=O)[C@@]1(C)CCNC1=O ZINC001492413633 893345994 /nfs/dbraw/zinc/34/59/94/893345994.db2.gz BMNRBDZCZIKFFP-ZDUSSCGKSA-N 1 2 284.360 -1.303 20 0 CAADLO CC[C@H](C)NC(=O)C[N@H+](C)CCNC(=O)c1nnn(C)n1 ZINC001492376494 893346530 /nfs/dbraw/zinc/34/65/30/893346530.db2.gz YXESXNFSSYSKNB-VIFPVBQESA-N 1 2 297.363 -1.214 20 0 CAADLO CC[C@H](C)NC(=O)C[N@@H+](C)CCNC(=O)c1nnn(C)n1 ZINC001492376494 893346553 /nfs/dbraw/zinc/34/65/53/893346553.db2.gz YXESXNFSSYSKNB-VIFPVBQESA-N 1 2 297.363 -1.214 20 0 CAADLO C[C@H](CC(N)=O)C(=O)NCC[N@H+](C)CC(=O)N(C)C ZINC001492369297 893346957 /nfs/dbraw/zinc/34/69/57/893346957.db2.gz FDPUBVGWUGDKTD-SECBINFHSA-N 1 2 272.349 -1.366 20 0 CAADLO C[C@H](CC(N)=O)C(=O)NCC[N@@H+](C)CC(=O)N(C)C ZINC001492369297 893346975 /nfs/dbraw/zinc/34/69/75/893346975.db2.gz FDPUBVGWUGDKTD-SECBINFHSA-N 1 2 272.349 -1.366 20 0 CAADLO CC(C)NC(=O)C[N@H+](C)CCNC(=O)c1c[nH]c(=O)cn1 ZINC001492394998 893347106 /nfs/dbraw/zinc/34/71/06/893347106.db2.gz RTARRENGDMUHKQ-UHFFFAOYSA-N 1 2 295.343 -1.044 20 0 CAADLO CC(C)NC(=O)C[N@@H+](C)CCNC(=O)c1c[nH]c(=O)cn1 ZINC001492394998 893347121 /nfs/dbraw/zinc/34/71/21/893347121.db2.gz RTARRENGDMUHKQ-UHFFFAOYSA-N 1 2 295.343 -1.044 20 0 CAADLO CC(C)N1C(=O)CC[C@H]1C(=O)NCC[N@H+](C)CC(N)=O ZINC001492385309 893349111 /nfs/dbraw/zinc/34/91/11/893349111.db2.gz XVUGDQLAOYATPP-JTQLQIEISA-N 1 2 284.360 -1.081 20 0 CAADLO CC(C)N1C(=O)CC[C@H]1C(=O)NCC[N@@H+](C)CC(N)=O ZINC001492385309 893349131 /nfs/dbraw/zinc/34/91/31/893349131.db2.gz XVUGDQLAOYATPP-JTQLQIEISA-N 1 2 284.360 -1.081 20 0 CAADLO C[N@H+](CCNC(=O)c1ccc2c(n1)OCCO2)CC(N)=O ZINC001492320725 893350892 /nfs/dbraw/zinc/35/08/92/893350892.db2.gz BNVZNBIRAKJDDW-UHFFFAOYSA-N 1 2 294.311 -1.000 20 0 CAADLO C[N@@H+](CCNC(=O)c1ccc2c(n1)OCCO2)CC(N)=O ZINC001492320725 893350908 /nfs/dbraw/zinc/35/09/08/893350908.db2.gz BNVZNBIRAKJDDW-UHFFFAOYSA-N 1 2 294.311 -1.000 20 0 CAADLO C[N@H+](CCNC(=O)C[C@H]1CCC(=O)N1)CC(=O)NC1CC1 ZINC001492453189 893352120 /nfs/dbraw/zinc/35/21/20/893352120.db2.gz COILVRGUZCMEGQ-LLVKDONJSA-N 1 2 296.371 -1.018 20 0 CAADLO C[N@@H+](CCNC(=O)C[C@H]1CCC(=O)N1)CC(=O)NC1CC1 ZINC001492453189 893352140 /nfs/dbraw/zinc/35/21/40/893352140.db2.gz COILVRGUZCMEGQ-LLVKDONJSA-N 1 2 296.371 -1.018 20 0 CAADLO CNC(=O)C[N@H+](C)CCNC(=O)CN1CCC(=O)NC1=O ZINC001492487796 893352345 /nfs/dbraw/zinc/35/23/45/893352345.db2.gz JJSJXMTVAQOZQT-UHFFFAOYSA-N 1 2 299.331 -2.278 20 0 CAADLO CNC(=O)C[N@@H+](C)CCNC(=O)CN1CCC(=O)NC1=O ZINC001492487796 893352362 /nfs/dbraw/zinc/35/23/62/893352362.db2.gz JJSJXMTVAQOZQT-UHFFFAOYSA-N 1 2 299.331 -2.278 20 0 CAADLO CN(CCCNC(=O)CCc1[nH+]ccn1C)C(=O)C(N)=O ZINC001492474626 893352528 /nfs/dbraw/zinc/35/25/28/893352528.db2.gz PBMUWPZMGRHOFD-UHFFFAOYSA-N 1 2 295.343 -1.197 20 0 CAADLO CC[N@H+](CCNC(=O)CNC(C)=O)Cc1nc(=O)n(C)[nH]1 ZINC001492902877 893359618 /nfs/dbraw/zinc/35/96/18/893359618.db2.gz KWSQDWGFHCYVJC-UHFFFAOYSA-N 1 2 298.347 -1.817 20 0 CAADLO CC[N@@H+](CCNC(=O)CNC(C)=O)Cc1nc(=O)n(C)[nH]1 ZINC001492902877 893359634 /nfs/dbraw/zinc/35/96/34/893359634.db2.gz KWSQDWGFHCYVJC-UHFFFAOYSA-N 1 2 298.347 -1.817 20 0 CAADLO C[C@H](NC(=O)c1ccco1)C(=O)NCC[N@H+](C)CC(N)=O ZINC001492867380 893360010 /nfs/dbraw/zinc/36/00/10/893360010.db2.gz OTFPLLUVXKNSLJ-VIFPVBQESA-N 1 2 296.327 -1.069 20 0 CAADLO C[C@H](NC(=O)c1ccco1)C(=O)NCC[N@@H+](C)CC(N)=O ZINC001492867380 893360031 /nfs/dbraw/zinc/36/00/31/893360031.db2.gz OTFPLLUVXKNSLJ-VIFPVBQESA-N 1 2 296.327 -1.069 20 0 CAADLO Cc1[nH+]c[nH]c1CC(=O)N(C)CCCNC(=O)C(N)=O ZINC001492816890 893362040 /nfs/dbraw/zinc/36/20/40/893362040.db2.gz ISWODCXYEFAPCY-UHFFFAOYSA-N 1 2 281.316 -1.289 20 0 CAADLO Cn1cncc1CC(=O)NCC[N@H+](C)CC(N)=O ZINC001492817336 893363176 /nfs/dbraw/zinc/36/31/76/893363176.db2.gz RCCSAWSSBOMFQM-UHFFFAOYSA-N 1 2 253.306 -1.504 20 0 CAADLO Cn1cncc1CC(=O)NCC[N@@H+](C)CC(N)=O ZINC001492817336 893363191 /nfs/dbraw/zinc/36/31/91/893363191.db2.gz RCCSAWSSBOMFQM-UHFFFAOYSA-N 1 2 253.306 -1.504 20 0 CAADLO CC[N@H+](CCNC(=O)Cc1n[nH]c(C)n1)[C@H](C)C(N)=O ZINC001492950423 893370217 /nfs/dbraw/zinc/37/02/17/893370217.db2.gz REHMFFSWRJBNAE-MRVPVSSYSA-N 1 2 282.348 -1.032 20 0 CAADLO CC[N@@H+](CCNC(=O)Cc1n[nH]c(C)n1)[C@H](C)C(N)=O ZINC001492950423 893370232 /nfs/dbraw/zinc/37/02/32/893370232.db2.gz REHMFFSWRJBNAE-MRVPVSSYSA-N 1 2 282.348 -1.032 20 0 CAADLO CO[C@@H](C)C(=O)NC[C@H]1CCC[N@@H+]1CC(=O)NC(N)=O ZINC001493081651 893372801 /nfs/dbraw/zinc/37/28/01/893372801.db2.gz BICNJLCKGSOEPW-DTWKUNHWSA-N 1 2 286.332 -1.203 20 0 CAADLO CO[C@@H](C)C(=O)NC[C@H]1CCC[N@H+]1CC(=O)NC(N)=O ZINC001493081651 893372825 /nfs/dbraw/zinc/37/28/25/893372825.db2.gz BICNJLCKGSOEPW-DTWKUNHWSA-N 1 2 286.332 -1.203 20 0 CAADLO NC(=O)C(=O)NC[C@@H]1CCC[N@@H+]1CC(=O)N1CCOCC1 ZINC001493129407 893374516 /nfs/dbraw/zinc/37/45/16/893374516.db2.gz BANLYFJBZNNQBF-JTQLQIEISA-N 1 2 298.343 -2.089 20 0 CAADLO NC(=O)C(=O)NC[C@@H]1CCC[N@H+]1CC(=O)N1CCOCC1 ZINC001493129407 893374533 /nfs/dbraw/zinc/37/45/33/893374533.db2.gz BANLYFJBZNNQBF-JTQLQIEISA-N 1 2 298.343 -2.089 20 0 CAADLO CNC(=O)CC(=O)N1CC[NH+](CCNC(C)=O)CC1 ZINC001493140764 893378255 /nfs/dbraw/zinc/37/82/55/893378255.db2.gz QNSVUYOBJGWLBH-UHFFFAOYSA-N 1 2 270.333 -1.597 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)Cc1nc[nH]n1 ZINC001493150892 893378359 /nfs/dbraw/zinc/37/83/59/893378359.db2.gz XRQPEAUXAIBQHU-QMMMGPOBSA-N 1 2 266.305 -1.587 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@H]1CNC(=O)Cc1nc[nH]n1 ZINC001493150892 893378373 /nfs/dbraw/zinc/37/83/73/893378373.db2.gz XRQPEAUXAIBQHU-QMMMGPOBSA-N 1 2 266.305 -1.587 20 0 CAADLO CNC(=O)NCC(=O)NC[C@@H]1CC[N@H+](Cc2cnon2)C1 ZINC001493206527 893382284 /nfs/dbraw/zinc/38/22/84/893382284.db2.gz HOVZXQXQYOYXTP-VIFPVBQESA-N 1 2 296.331 -1.063 20 0 CAADLO CNC(=O)NCC(=O)NC[C@@H]1CC[N@@H+](Cc2cnon2)C1 ZINC001493206527 893382304 /nfs/dbraw/zinc/38/23/04/893382304.db2.gz HOVZXQXQYOYXTP-VIFPVBQESA-N 1 2 296.331 -1.063 20 0 CAADLO NC(=O)C(=O)NC[C@H]1CC[N@H+](Cc2ncnn2CCF)C1 ZINC001493228182 893382484 /nfs/dbraw/zinc/38/24/84/893382484.db2.gz AEWOBJQVVJGBLC-SECBINFHSA-N 1 2 298.322 -1.329 20 0 CAADLO NC(=O)C(=O)NC[C@H]1CC[N@@H+](Cc2ncnn2CCF)C1 ZINC001493228182 893382503 /nfs/dbraw/zinc/38/25/03/893382503.db2.gz AEWOBJQVVJGBLC-SECBINFHSA-N 1 2 298.322 -1.329 20 0 CAADLO Cn1cncc1C[N@H+](CCNC(=O)C(N)=O)C1CC1 ZINC001493408047 893394494 /nfs/dbraw/zinc/39/44/94/893394494.db2.gz URVVOYNAFNXDSW-UHFFFAOYSA-N 1 2 265.317 -1.014 20 0 CAADLO Cn1cncc1C[N@@H+](CCNC(=O)C(N)=O)C1CC1 ZINC001493408047 893394507 /nfs/dbraw/zinc/39/45/07/893394507.db2.gz URVVOYNAFNXDSW-UHFFFAOYSA-N 1 2 265.317 -1.014 20 0 CAADLO Cn1c[nH+]cc1CN(CCNC(=O)C(N)=O)C1CC1 ZINC001493408047 893394522 /nfs/dbraw/zinc/39/45/22/893394522.db2.gz URVVOYNAFNXDSW-UHFFFAOYSA-N 1 2 265.317 -1.014 20 0 CAADLO CN(CC[NH2+]Cc1nc(=O)n(C)[nH]1)C(=O)c1cocn1 ZINC001493498092 893401193 /nfs/dbraw/zinc/40/11/93/893401193.db2.gz NQCAKLGLKVJWRV-UHFFFAOYSA-N 1 2 280.288 -1.042 20 0 CAADLO CN(CC[NH2+]Cc1nncs1)C(=O)Cn1ncnn1 ZINC001493549865 893404297 /nfs/dbraw/zinc/40/42/97/893404297.db2.gz KRALVTRLVAGVRR-UHFFFAOYSA-N 1 2 282.333 -1.227 20 0 CAADLO CN(CC[NH2+]Cc1nc(=O)n(C)[nH]1)C(=O)c1ncccn1 ZINC001493736830 893414550 /nfs/dbraw/zinc/41/45/50/893414550.db2.gz MKQCHGFMPKGNFG-UHFFFAOYSA-N 1 2 291.315 -1.240 20 0 CAADLO CN(CC[NH2+][C@H]1CCCNC1=O)C(=O)Cc1ncn[nH]1 ZINC001493758338 893415320 /nfs/dbraw/zinc/41/53/20/893415320.db2.gz GRAJYEPUQBSLHS-VIFPVBQESA-N 1 2 280.332 -1.326 20 0 CAADLO CN(CC[NH2+]Cc1cnon1)C(=O)CCn1cnnn1 ZINC001493742321 893415461 /nfs/dbraw/zinc/41/54/61/893415461.db2.gz OLVFNAJDHPFKMF-UHFFFAOYSA-N 1 2 280.292 -1.306 20 0 CAADLO CN(CC[NH2+][C@@H]1CCC(=O)NC1=O)C(=O)Cc1ncn[nH]1 ZINC001493759047 893415569 /nfs/dbraw/zinc/41/55/69/893415569.db2.gz UWTWUTOPAWBXKV-MRVPVSSYSA-N 1 2 294.315 -1.800 20 0 CAADLO CC(=O)N(C)CC[NH+]1CCN([C@@H](C)C(=O)NC(N)=O)CC1 ZINC001494083926 893420269 /nfs/dbraw/zinc/42/02/69/893420269.db2.gz AUJISMAMMJGCTR-JTQLQIEISA-N 1 2 299.375 -1.334 20 0 CAADLO Cn1nnnc1C[N@@H+]1CC[C@@H](CCNC(=O)CC(N)=O)C1 ZINC001493998479 893422686 /nfs/dbraw/zinc/42/26/86/893422686.db2.gz DTORDBXMEAQKDJ-SECBINFHSA-N 1 2 295.347 -1.586 20 0 CAADLO Cn1nnnc1C[N@H+]1CC[C@@H](CCNC(=O)CC(N)=O)C1 ZINC001493998479 893422693 /nfs/dbraw/zinc/42/26/93/893422693.db2.gz DTORDBXMEAQKDJ-SECBINFHSA-N 1 2 295.347 -1.586 20 0 CAADLO CCCN(C(=O)CCNC(N)=O)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001493972170 893423354 /nfs/dbraw/zinc/42/33/54/893423354.db2.gz BCJTZQWAZHPFSI-SNVBAGLBSA-N 1 2 299.375 -1.157 20 0 CAADLO CCCN(C(=O)CCNC(N)=O)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001493972170 893423358 /nfs/dbraw/zinc/42/33/58/893423358.db2.gz BCJTZQWAZHPFSI-SNVBAGLBSA-N 1 2 299.375 -1.157 20 0 CAADLO CNC(=O)C[N@H+](C)C[C@@H]1CCN(C(=O)Cc2ncn[nH]2)C1 ZINC001494169571 893425141 /nfs/dbraw/zinc/42/51/41/893425141.db2.gz LCHZWXOAANHLRW-JTQLQIEISA-N 1 2 294.359 -1.127 20 0 CAADLO CNC(=O)C[N@@H+](C)C[C@@H]1CCN(C(=O)Cc2ncn[nH]2)C1 ZINC001494169571 893425147 /nfs/dbraw/zinc/42/51/47/893425147.db2.gz LCHZWXOAANHLRW-JTQLQIEISA-N 1 2 294.359 -1.127 20 0 CAADLO NC(=O)C(=O)NC[C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001494307724 893426209 /nfs/dbraw/zinc/42/62/09/893426209.db2.gz QWSJLGODYMGFRT-SECBINFHSA-N 1 2 293.327 -1.208 20 0 CAADLO COCCOC[C@H](O)C[NH+]1CC(NC(=O)c2cn[nH]c2)C1 ZINC001494346218 893428565 /nfs/dbraw/zinc/42/85/65/893428565.db2.gz HNZQDZARIXTLKB-GFCCVEGCSA-N 1 2 298.343 -1.152 20 0 CAADLO NC(=O)CC(=O)NC1C[NH+](CCn2cccn2)C1 ZINC001494361139 893428820 /nfs/dbraw/zinc/42/88/20/893428820.db2.gz DVGHRBFONDBQGF-UHFFFAOYSA-N 1 2 251.290 -1.441 20 0 CAADLO COC[C@H](O)C[NH+]1CC(NC(=O)Cc2cc[nH]n2)C1 ZINC001494362204 893429049 /nfs/dbraw/zinc/42/90/49/893429049.db2.gz QRCMGTLSURIYIC-LLVKDONJSA-N 1 2 268.317 -1.240 20 0 CAADLO CC(=O)NCC(=O)NC1C[NH+](CCOCCO)C1 ZINC001494334943 893430123 /nfs/dbraw/zinc/43/01/23/893430123.db2.gz VZSPDIHTXWGSQQ-UHFFFAOYSA-N 1 2 259.306 -2.068 20 0 CAADLO CC[C@]1(C(=O)NC2C[NH+](CCO)C2)CCNC1=O ZINC001494402378 893431620 /nfs/dbraw/zinc/43/16/20/893431620.db2.gz SNIORZJZBFOSNV-LBPRGKRZSA-N 1 2 255.318 -1.305 20 0 CAADLO O=C(C[C@H]1CCNC1=O)NC1C[NH+](CCOCCO)C1 ZINC001494399320 893431724 /nfs/dbraw/zinc/43/17/24/893431724.db2.gz WQQVILDFJOMBQY-SNVBAGLBSA-N 1 2 285.344 -1.678 20 0 CAADLO CC[C@@]1(C(=O)NC2C[NH+](C[C@H](O)COC)C2)CCNC1=O ZINC001494401356 893433766 /nfs/dbraw/zinc/43/37/66/893433766.db2.gz HZDYRVQPECYKAF-SMDDNHRTSA-N 1 2 299.371 -1.290 20 0 CAADLO COCC[NH+]1CC(NC(=O)CNC(=O)CNC(C)=O)C1 ZINC001494405995 893434951 /nfs/dbraw/zinc/43/49/51/893434951.db2.gz ICHMQZYOAYPOBW-UHFFFAOYSA-N 1 2 286.332 -2.315 20 0 CAADLO CNS(=O)(=O)NCC(=O)NC1C[NH+](CCO)C1 ZINC001494426656 893435792 /nfs/dbraw/zinc/43/57/92/893435792.db2.gz QHFXBXRBVMHUST-UHFFFAOYSA-N 1 2 266.323 -3.167 20 0 CAADLO CCS(=O)(=O)N(C)CC(=O)NC1C[NH+](C[C@@H](C)O)C1 ZINC001494474282 893438312 /nfs/dbraw/zinc/43/83/12/893438312.db2.gz YNWLMIBRQBUYCX-SECBINFHSA-N 1 2 293.389 -1.551 20 0 CAADLO CC(C)(C)[C@@H](NC(N)=O)C(=O)NC1C[NH+](CCO)C1 ZINC001494484055 893439301 /nfs/dbraw/zinc/43/93/01/893439301.db2.gz FEBSTKDHDQWOOA-VIFPVBQESA-N 1 2 272.349 -1.138 20 0 CAADLO CC[NH+]1CC(NC(=O)[C@@H](C)NC(=O)Cn2cnnn2)C1 ZINC001494478599 893439322 /nfs/dbraw/zinc/43/93/22/893439322.db2.gz FQCGZUBCFZGRHV-MRVPVSSYSA-N 1 2 281.320 -2.002 20 0 CAADLO O=C(NC1C[NH+](CCOCCO)C1)C1CC(=O)NC(=O)C1 ZINC001494464339 893439434 /nfs/dbraw/zinc/43/94/34/893439434.db2.gz LGVRHTYHKDKACS-UHFFFAOYSA-N 1 2 299.327 -2.152 20 0 CAADLO COC[C@H](O)C[NH+]1CC(NC(=O)Cc2ncc[nH]2)C1 ZINC001494469326 893439490 /nfs/dbraw/zinc/43/94/90/893439490.db2.gz FPQGHUKZKBPJSF-SNVBAGLBSA-N 1 2 268.317 -1.240 20 0 CAADLO CC(C)(C)[C@H](NC(N)=O)C(=O)NC1C[NH+](CCO)C1 ZINC001494484053 893439622 /nfs/dbraw/zinc/43/96/22/893439622.db2.gz FEBSTKDHDQWOOA-SECBINFHSA-N 1 2 272.349 -1.138 20 0 CAADLO O=C(C[C@@H]1CCC(=O)N1)NC1C[NH+](CCOCCO)C1 ZINC001494466861 893439982 /nfs/dbraw/zinc/43/99/82/893439982.db2.gz YYYCYCAYSXDEJV-JTQLQIEISA-N 1 2 285.344 -1.536 20 0 CAADLO C[C@H](C(=O)NC1C[NH+](CCOCCO)C1)[C@@H]1CCC(=O)N1 ZINC001494452221 893440120 /nfs/dbraw/zinc/44/01/20/893440120.db2.gz LQVWMVPWOOJUPO-JQWIXIFHSA-N 1 2 299.371 -1.290 20 0 CAADLO CNC(=O)C1(C(=O)NC2C[NH+](C[C@H](O)COC)C2)CCC1 ZINC001494488383 893440184 /nfs/dbraw/zinc/44/01/84/893440184.db2.gz SZUJWHROQMRRGS-NSHDSACASA-N 1 2 299.371 -1.290 20 0 CAADLO NC(=O)NC(=O)C[NH+]1CC(CNC(=O)C2=COCCO2)C1 ZINC001494518715 893441367 /nfs/dbraw/zinc/44/13/67/893441367.db2.gz AGBOEUFLUULVIY-UHFFFAOYSA-N 1 2 298.299 -1.883 20 0 CAADLO CC(C)(F)C(=O)NCC1C[NH+](CC(=O)NC(N)=O)C1 ZINC001494518168 893441602 /nfs/dbraw/zinc/44/16/02/893441602.db2.gz VXYCRNWHMQMBSC-UHFFFAOYSA-N 1 2 274.296 -1.023 20 0 CAADLO C[C@H](NC(N)=O)C(=O)NCC1C[NH+](CC(=O)N2CCC2)C1 ZINC001494541278 893441679 /nfs/dbraw/zinc/44/16/79/893441679.db2.gz DVWXFUBSXNAELM-VIFPVBQESA-N 1 2 297.359 -1.677 20 0 CAADLO CO[C@@H](C)C(=O)NCC1C[NH+]([C@@H](C)C(=O)NC(N)=O)C1 ZINC001494528246 893442277 /nfs/dbraw/zinc/44/22/77/893442277.db2.gz RBZIDFLGYKKFOV-YUMQZZPRSA-N 1 2 286.332 -1.347 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(NC(=O)C[C@H]2CC(=O)NC2=O)C1 ZINC001494516086 893442574 /nfs/dbraw/zinc/44/25/74/893442574.db2.gz YEAWHDVMULJDIA-WPRPVWTQSA-N 1 2 299.327 -2.153 20 0 CAADLO COCCOCC(=O)NCC1C[NH+](CC(N)=O)C1 ZINC001494536964 893442713 /nfs/dbraw/zinc/44/27/13/893442713.db2.gz DAELETJFGDUXDC-UHFFFAOYSA-N 1 2 259.306 -1.817 20 0 CAADLO NC(=O)NC(=O)C[NH+]1CC(CNC(=O)c2cocn2)C1 ZINC001494532408 893442865 /nfs/dbraw/zinc/44/28/65/893442865.db2.gz FYWWACTYWOYCEL-UHFFFAOYSA-N 1 2 281.272 -1.469 20 0 CAADLO CO[C@H](C)C(=O)NCC1C[NH+]([C@H](C)C(=O)NC(N)=O)C1 ZINC001494528243 893442906 /nfs/dbraw/zinc/44/29/06/893442906.db2.gz RBZIDFLGYKKFOV-HTQZYQBOSA-N 1 2 286.332 -1.347 20 0 CAADLO COCC[NH+]1CC(CNC(=O)CS(C)(=O)=O)C1 ZINC001494535057 893442934 /nfs/dbraw/zinc/44/29/34/893442934.db2.gz GQPXHNLCYLUQEA-UHFFFAOYSA-N 1 2 264.347 -1.275 20 0 CAADLO CC(C)NC(=O)C[NH+]1CC(CNC(=O)[C@H]2CCC(=O)N2)C1 ZINC001494535022 893443099 /nfs/dbraw/zinc/44/30/99/893443099.db2.gz ZQJBMVVURBLAJC-LLVKDONJSA-N 1 2 296.371 -1.162 20 0 CAADLO CO[C@H](C)C(=O)NCC1C[NH+]([C@@H](C)C(=O)NC(N)=O)C1 ZINC001494528244 893443177 /nfs/dbraw/zinc/44/31/77/893443177.db2.gz RBZIDFLGYKKFOV-JGVFFNPUSA-N 1 2 286.332 -1.347 20 0 CAADLO CC(=O)N[C@@H](C)C(=O)NCC1C[NH+](CC(N)=O)C1 ZINC001494519620 893443239 /nfs/dbraw/zinc/44/32/39/893443239.db2.gz ZWHPLQIMWHRPEC-ZETCQYMHSA-N 1 2 256.306 -1.956 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(NC(=O)C[C@@H]2CC(=O)NC2=O)C1 ZINC001494516069 893443295 /nfs/dbraw/zinc/44/32/95/893443295.db2.gz YEAWHDVMULJDIA-SCZZXKLOSA-N 1 2 299.327 -2.153 20 0 CAADLO CC(=O)N(C)CC(=O)NCC1C[NH+]([C@H]2CCNC2=O)C1 ZINC001494524403 893443709 /nfs/dbraw/zinc/44/37/09/893443709.db2.gz CGMJKDNRHJOUJG-NSHDSACASA-N 1 2 282.344 -1.599 20 0 CAADLO CNC(=O)NC(=O)[C@@H](C)[NH+]1CC(CNC(=O)COC)C1 ZINC001494515405 893443774 /nfs/dbraw/zinc/44/37/74/893443774.db2.gz OKXKQHCWCKKHHP-MRVPVSSYSA-N 1 2 286.332 -1.475 20 0 CAADLO C[C@H](NC(N)=O)C(=O)NCC1C[NH+](CC(=O)N(C)C)C1 ZINC001494542639 893443932 /nfs/dbraw/zinc/44/39/32/893443932.db2.gz PZWADKSIPYPCGL-QMMMGPOBSA-N 1 2 285.348 -1.821 20 0 CAADLO Cn1nccc1C[NH+]1CC(CNC(=O)Cn2cnnn2)C1 ZINC001494524669 893443958 /nfs/dbraw/zinc/44/39/58/893443958.db2.gz XBASEMRXAKGIFK-UHFFFAOYSA-N 1 2 290.331 -1.345 20 0 CAADLO CNC(=O)C[NH+]1CC(CNC(=O)C[C@H]2CCN(C)C2=O)C1 ZINC001494562252 893445237 /nfs/dbraw/zinc/44/52/37/893445237.db2.gz LIUSTTWCWKIMAA-LLVKDONJSA-N 1 2 296.371 -1.351 20 0 CAADLO CCNC(=O)C[NH+]1CC(CNC(=O)C[C@H]2CCNC2=O)C1 ZINC001494559401 893445461 /nfs/dbraw/zinc/44/54/61/893445461.db2.gz YOAVEHORHYBIMS-LLVKDONJSA-N 1 2 296.371 -1.303 20 0 CAADLO CNC(=O)C[NH+]1CC(CNC(=O)C(=O)NCC(F)F)C1 ZINC001494568657 893445551 /nfs/dbraw/zinc/44/55/51/893445551.db2.gz SIWRAPLTBSVARB-UHFFFAOYSA-N 1 2 292.286 -1.838 20 0 CAADLO C[C@@]1(C(=O)NCC2C[NH+](CC(N)=O)C2)CCC(=O)NC1 ZINC001494583136 893447157 /nfs/dbraw/zinc/44/71/57/893447157.db2.gz FCOXICXAILUQQU-CYBMUJFWSA-N 1 2 282.344 -1.564 20 0 CAADLO NC(=O)C[NH+]1CC(CNC(=O)CN2CCCNC2=O)C1 ZINC001494569061 893447351 /nfs/dbraw/zinc/44/73/51/893447351.db2.gz HCIQUAMVCXDUGR-UHFFFAOYSA-N 1 2 283.332 -2.065 20 0 CAADLO C[C@@H]1C[C@H]1C(=O)NCC1C[NH+](CC(=O)NC(N)=O)C1 ZINC001494576049 893447465 /nfs/dbraw/zinc/44/74/65/893447465.db2.gz DJXJGQJDPBARNT-VXNVDRBHSA-N 1 2 268.317 -1.115 20 0 CAADLO C[C@H](C(=O)NC(N)=O)[NH+]1CC(CNC(=O)c2ncc[nH]2)C1 ZINC001494552170 893447630 /nfs/dbraw/zinc/44/76/30/893447630.db2.gz JRCXRIMGQHWXNZ-SSDOTTSWSA-N 1 2 294.315 -1.345 20 0 CAADLO C[C@H](C(N)=O)[NH+]1CC(CNC(=O)[C@]2(C)CCNC2=O)C1 ZINC001494593375 893449438 /nfs/dbraw/zinc/44/94/38/893449438.db2.gz QXKRESQSLFXXCS-AMIZOPFISA-N 1 2 282.344 -1.566 20 0 CAADLO C[C@H](C[NH+]1CC(CNC(=O)C(N)=O)C1)CS(C)(=O)=O ZINC001494586934 893450074 /nfs/dbraw/zinc/45/00/74/893450074.db2.gz OAHZEIPHWLHRPG-MRVPVSSYSA-N 1 2 291.373 -1.800 20 0 CAADLO COC[C@H](OC)C(=O)NCC1C[NH+](CC(=O)N2CCC2)C1 ZINC001494589956 893450177 /nfs/dbraw/zinc/45/01/77/893450177.db2.gz CUYYABFCUKKTOC-LBPRGKRZSA-N 1 2 299.371 -1.072 20 0 CAADLO O=C(CC[C@H]1NC(=O)NC1=O)NCC1C[NH+](CCF)C1 ZINC001494624868 893450572 /nfs/dbraw/zinc/45/05/72/893450572.db2.gz JXAGEJMSVRBSFL-SECBINFHSA-N 1 2 286.307 -1.008 20 0 CAADLO Cc1cnc(C[NH+]2CC(CNC(=O)C(N)=O)C2)cn1 ZINC001494586784 893450717 /nfs/dbraw/zinc/45/07/17/893450717.db2.gz HRAIDMBNVLLMOZ-UHFFFAOYSA-N 1 2 263.301 -1.182 20 0 CAADLO C[C@@H](C[NH+]1CC(CNC(=O)C(N)=O)C1)CS(C)(=O)=O ZINC001494586935 893451131 /nfs/dbraw/zinc/45/11/31/893451131.db2.gz OAHZEIPHWLHRPG-QMMMGPOBSA-N 1 2 291.373 -1.800 20 0 CAADLO CNC(=O)C[NH+]1CC(CNC(=O)[C@H](CC(C)C)C(N)=O)C1 ZINC001494638554 893451150 /nfs/dbraw/zinc/45/11/50/893451150.db2.gz LKDXKXDRPIHPHJ-LLVKDONJSA-N 1 2 298.387 -1.072 20 0 CAADLO NC(=O)C[NH+]1CC(CNC(=O)CN2CCC(=O)NC2=O)C1 ZINC001494611986 893451474 /nfs/dbraw/zinc/45/14/74/893451474.db2.gz SUPJULZPAZXGGP-UHFFFAOYSA-N 1 2 297.315 -2.538 20 0 CAADLO CNC(=O)NCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@@H](C)C(=O)NC ZINC001494659374 893453457 /nfs/dbraw/zinc/45/34/57/893453457.db2.gz PWSIOSHUYBLCAU-GUBZILKMSA-N 1 2 297.359 -1.665 20 0 CAADLO CNC(=O)NCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2[C@@H](C)C(=O)NC ZINC001494659374 893453464 /nfs/dbraw/zinc/45/34/64/893453464.db2.gz PWSIOSHUYBLCAU-GUBZILKMSA-N 1 2 297.359 -1.665 20 0 CAADLO COC(=O)NCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@H]1CCNC1=O ZINC001494645034 893454156 /nfs/dbraw/zinc/45/41/56/893454156.db2.gz JRXXYGGPGSCESU-GUBZILKMSA-N 1 2 296.327 -1.484 20 0 CAADLO COC(=O)NCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2[C@H]1CCNC1=O ZINC001494645034 893454176 /nfs/dbraw/zinc/45/41/76/893454176.db2.gz JRXXYGGPGSCESU-GUBZILKMSA-N 1 2 296.327 -1.484 20 0 CAADLO COC(=O)NCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@@H]1CCNC1=O ZINC001494645044 893455366 /nfs/dbraw/zinc/45/53/66/893455366.db2.gz JRXXYGGPGSCESU-LPEHRKFASA-N 1 2 296.327 -1.484 20 0 CAADLO COC(=O)NCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2[C@@H]1CCNC1=O ZINC001494645044 893455370 /nfs/dbraw/zinc/45/53/70/893455370.db2.gz JRXXYGGPGSCESU-LPEHRKFASA-N 1 2 296.327 -1.484 20 0 CAADLO NC(=O)NCCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@H]1CCNC1=O ZINC001494683940 893455463 /nfs/dbraw/zinc/45/54/63/893455463.db2.gz QCFSDOBSEIPOAF-GUBZILKMSA-N 1 2 295.343 -1.782 20 0 CAADLO NC(=O)NCCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2[C@H]1CCNC1=O ZINC001494683940 893455468 /nfs/dbraw/zinc/45/54/68/893455468.db2.gz QCFSDOBSEIPOAF-GUBZILKMSA-N 1 2 295.343 -1.782 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)C2(C(N)=O)CC2)C1 ZINC001494776097 893460587 /nfs/dbraw/zinc/46/05/87/893460587.db2.gz CKWDSZHLEKHSMF-SSDOTTSWSA-N 1 2 254.290 -2.072 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)C2(C(N)=O)CC2)C1 ZINC001494776097 893460590 /nfs/dbraw/zinc/46/05/90/893460590.db2.gz CKWDSZHLEKHSMF-SSDOTTSWSA-N 1 2 254.290 -2.072 20 0 CAADLO CCN(C(=O)Cn1cnnn1)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001494880938 893460610 /nfs/dbraw/zinc/46/06/10/893460610.db2.gz NTTORHUQPGJYQI-VIFPVBQESA-N 1 2 281.320 -1.919 20 0 CAADLO CCN(C(=O)Cn1cnnn1)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001494880938 893460613 /nfs/dbraw/zinc/46/06/13/893460613.db2.gz NTTORHUQPGJYQI-VIFPVBQESA-N 1 2 281.320 -1.919 20 0 CAADLO CN(C(=O)CC(N)=O)[C@H]1CC[N@H+](Cc2cnnn2C)C1 ZINC001494813236 893460995 /nfs/dbraw/zinc/46/09/95/893460995.db2.gz KCOHXAAUZOQHHV-VIFPVBQESA-N 1 2 280.332 -1.277 20 0 CAADLO CN(C(=O)CC(N)=O)[C@H]1CC[N@@H+](Cc2cnnn2C)C1 ZINC001494813236 893461004 /nfs/dbraw/zinc/46/10/04/893461004.db2.gz KCOHXAAUZOQHHV-VIFPVBQESA-N 1 2 280.332 -1.277 20 0 CAADLO C[C@@H](NC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)C(N)=O)C1)C1CC1 ZINC001494841022 893461752 /nfs/dbraw/zinc/46/17/52/893461752.db2.gz DDSSWLHTQYHYBA-KOLCDFICSA-N 1 2 296.371 -1.081 20 0 CAADLO C[C@@H](NC(=O)C[N@H+]1CC[C@H](N(C)C(=O)C(N)=O)C1)C1CC1 ZINC001494841022 893461766 /nfs/dbraw/zinc/46/17/66/893461766.db2.gz DDSSWLHTQYHYBA-KOLCDFICSA-N 1 2 296.371 -1.081 20 0 CAADLO CC[C@@H](C)NC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)C(N)=O)C1 ZINC001494841067 893462978 /nfs/dbraw/zinc/46/29/78/893462978.db2.gz DWCLOHKHWXKPPX-NXEZZACHSA-N 1 2 284.360 -1.081 20 0 CAADLO CC[C@@H](C)NC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)C(N)=O)C1 ZINC001494841067 893462988 /nfs/dbraw/zinc/46/29/88/893462988.db2.gz DWCLOHKHWXKPPX-NXEZZACHSA-N 1 2 284.360 -1.081 20 0 CAADLO C[C@H](CNC(=O)Cc1[nH]cc[nH+]1)NC(=O)[C@H]1COCCO1 ZINC001494996905 893468071 /nfs/dbraw/zinc/46/80/71/893468071.db2.gz JFDJOVPCPMCNBY-NXEZZACHSA-N 1 2 296.327 -1.012 20 0 CAADLO CC[C@@H](CNC(=O)C(N)=O)[NH2+]Cc1nc(C)no1 ZINC001495051963 893473625 /nfs/dbraw/zinc/47/36/25/893473625.db2.gz WPANBFBMFZAEKN-ZETCQYMHSA-N 1 2 255.278 -1.152 20 0 CAADLO Cn1nnc(C[NH2+]CC[C@H]2CCCN(C(=O)C(N)=O)C2)n1 ZINC001495378185 893478455 /nfs/dbraw/zinc/47/84/55/893478455.db2.gz IBGRJAIRPDWMGI-SECBINFHSA-N 1 2 295.347 -1.586 20 0 CAADLO C[C@H](CCNC(=O)CC(N)=O)NC(=O)Cc1c[nH+]cn1C ZINC001495489150 893479571 /nfs/dbraw/zinc/47/95/71/893479571.db2.gz PHFORHURJPPVCS-SECBINFHSA-N 1 2 295.343 -1.151 20 0 CAADLO C[C@H](CCNC(=O)CCc1c[nH+]cn1C)NC(=O)C(N)=O ZINC001495646764 893481279 /nfs/dbraw/zinc/48/12/79/893481279.db2.gz KJSGGFSWIOZYRX-SECBINFHSA-N 1 2 295.343 -1.151 20 0 CAADLO C[C@H](CCNC(=O)CCn1cc[nH+]c1)NC(=O)C(N)=O ZINC001495615316 893482959 /nfs/dbraw/zinc/48/29/59/893482959.db2.gz LICAZUDQXBGLLM-SECBINFHSA-N 1 2 281.316 -1.231 20 0 CAADLO C[C@@H](CNC(=O)c1cn[nH]n1)C[NH2+]Cc1nnn(C)n1 ZINC001495697105 893485310 /nfs/dbraw/zinc/48/53/10/893485310.db2.gz PFKDOPCLRSEAMA-SSDOTTSWSA-N 1 2 279.308 -1.516 20 0 CAADLO C[C@H](CCNC(=O)C(N)=O)NC(=O)Cc1c[nH]c[nH+]1 ZINC001495675911 893485940 /nfs/dbraw/zinc/48/59/40/893485940.db2.gz ULWCQNJJYOTIHT-SSDOTTSWSA-N 1 2 267.289 -1.552 20 0 CAADLO CC(=O)NCC(=O)NCCN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001495812624 893491217 /nfs/dbraw/zinc/49/12/17/893491217.db2.gz YNEQVVVQCZHHEP-UHFFFAOYSA-N 1 2 281.316 -1.337 20 0 CAADLO C[C@H](O)C[N@@H+]1CCO[C@H](CNC(=O)CCc2nnc[nH]2)C1 ZINC001495840886 893491855 /nfs/dbraw/zinc/49/18/55/893491855.db2.gz QOBKRVKDGXKAGH-WDEREUQCSA-N 1 2 297.359 -1.065 20 0 CAADLO C[C@H](O)C[N@H+]1CCO[C@H](CNC(=O)CCc2nnc[nH]2)C1 ZINC001495840886 893491860 /nfs/dbraw/zinc/49/18/60/893491860.db2.gz QOBKRVKDGXKAGH-WDEREUQCSA-N 1 2 297.359 -1.065 20 0 CAADLO COC(=O)NCC(=O)NC[C@H]1C[N@H+](CCO)CCO1 ZINC001495831417 893491908 /nfs/dbraw/zinc/49/19/08/893491908.db2.gz XCTVIYZJVLPKNC-VIFPVBQESA-N 1 2 275.305 -1.848 20 0 CAADLO COC(=O)NCC(=O)NC[C@H]1C[N@@H+](CCO)CCO1 ZINC001495831417 893491917 /nfs/dbraw/zinc/49/19/17/893491917.db2.gz XCTVIYZJVLPKNC-VIFPVBQESA-N 1 2 275.305 -1.848 20 0 CAADLO CC(=O)NCC(=O)NC[C@H]1C[N@H+](CCO)CCO1 ZINC001495825247 893492009 /nfs/dbraw/zinc/49/20/09/893492009.db2.gz NGCAVFYGNDGPQU-JTQLQIEISA-N 1 2 259.306 -2.068 20 0 CAADLO CC(=O)NCC(=O)NC[C@H]1C[N@@H+](CCO)CCO1 ZINC001495825247 893492016 /nfs/dbraw/zinc/49/20/16/893492016.db2.gz NGCAVFYGNDGPQU-JTQLQIEISA-N 1 2 259.306 -2.068 20 0 CAADLO C[C@H](C(=O)NC[C@H]1C[N@H+](CCO)CCO1)n1cncn1 ZINC001495840620 893492491 /nfs/dbraw/zinc/49/24/91/893492491.db2.gz MKLPGXMRBHCYSZ-MNOVXSKESA-N 1 2 283.332 -1.352 20 0 CAADLO C[C@H](C(=O)NC[C@H]1C[N@@H+](CCO)CCO1)n1cncn1 ZINC001495840620 893492501 /nfs/dbraw/zinc/49/25/01/893492501.db2.gz MKLPGXMRBHCYSZ-MNOVXSKESA-N 1 2 283.332 -1.352 20 0 CAADLO C[C@H](C(=O)NC[C@@H]1C[N@H+](CCO)CCO1)n1cncn1 ZINC001495840619 893492957 /nfs/dbraw/zinc/49/29/57/893492957.db2.gz MKLPGXMRBHCYSZ-GHMZBOCLSA-N 1 2 283.332 -1.352 20 0 CAADLO C[C@H](C(=O)NC[C@@H]1C[N@@H+](CCO)CCO1)n1cncn1 ZINC001495840619 893492966 /nfs/dbraw/zinc/49/29/66/893492966.db2.gz MKLPGXMRBHCYSZ-GHMZBOCLSA-N 1 2 283.332 -1.352 20 0 CAADLO CNC(=O)NCC(=O)NC[C@@H]1C[N@H+](CCOC)CCO1 ZINC001495850147 893495183 /nfs/dbraw/zinc/49/51/83/893495183.db2.gz OXSYBNKERJZZFL-SNVBAGLBSA-N 1 2 288.348 -1.621 20 0 CAADLO CNC(=O)NCC(=O)NC[C@@H]1C[N@@H+](CCOC)CCO1 ZINC001495850147 893495188 /nfs/dbraw/zinc/49/51/88/893495188.db2.gz OXSYBNKERJZZFL-SNVBAGLBSA-N 1 2 288.348 -1.621 20 0 CAADLO NC(=O)CN1CCO[C@@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001495868918 893496285 /nfs/dbraw/zinc/49/62/85/893496285.db2.gz DSLSHDZNAXWHJS-JTQLQIEISA-N 1 2 281.316 -1.746 20 0 CAADLO NC(=O)CN1CCO[C@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001495868931 893496851 /nfs/dbraw/zinc/49/68/51/893496851.db2.gz DSLSHDZNAXWHJS-SNVBAGLBSA-N 1 2 281.316 -1.746 20 0 CAADLO CCOCC[N@@H+]1CCO[C@@H](CNC(=O)C(N)=O)C1 ZINC001495872399 893496985 /nfs/dbraw/zinc/49/69/85/893496985.db2.gz ZNIUUSCBTWXCRJ-VIFPVBQESA-N 1 2 259.306 -1.675 20 0 CAADLO CCOCC[N@H+]1CCO[C@@H](CNC(=O)C(N)=O)C1 ZINC001495872399 893496993 /nfs/dbraw/zinc/49/69/93/893496993.db2.gz ZNIUUSCBTWXCRJ-VIFPVBQESA-N 1 2 259.306 -1.675 20 0 CAADLO CCNC(=O)CC(=O)NCCN(C)C(=O)Cn1cc[nH+]c1 ZINC001495967372 893499556 /nfs/dbraw/zinc/49/95/56/893499556.db2.gz GWFJMIZEHLXFHP-UHFFFAOYSA-N 1 2 295.343 -1.016 20 0 CAADLO Cc1nnc(C[NH2+]C[C@H](C)N(C)C(=O)C(N)=O)o1 ZINC001496149604 893509191 /nfs/dbraw/zinc/50/91/91/893509191.db2.gz MWPGDLUGJKZDHO-LURJTMIESA-N 1 2 255.278 -1.200 20 0 CAADLO CN(CCNC(=O)Cn1cc[nH+]c1)C(=O)Cn1ncnn1 ZINC001496216584 893513849 /nfs/dbraw/zinc/51/38/49/893513849.db2.gz DHTFTCDNEDKUIH-UHFFFAOYSA-N 1 2 292.303 -1.856 20 0 CAADLO CN(CCNC(=O)C(N)=O)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001496491765 893519751 /nfs/dbraw/zinc/51/97/51/893519751.db2.gz PGLOUTVPOFPABZ-SECBINFHSA-N 1 2 293.327 -1.495 20 0 CAADLO CN(CCNC(=O)Cc1[nH]cc[nH+]1)C(=O)C(N)=O ZINC001496458507 893519936 /nfs/dbraw/zinc/51/99/36/893519936.db2.gz AQNSCLIQANTIQN-UHFFFAOYSA-N 1 2 253.262 -1.988 20 0 CAADLO CN(CCNC(=O)Cc1[nH]cc[nH+]1)C(=O)[C@H]1CCNC1=O ZINC001496461216 893521108 /nfs/dbraw/zinc/52/11/08/893521108.db2.gz SENBMULZOMJWFP-VIFPVBQESA-N 1 2 293.327 -1.337 20 0 CAADLO CN(CCNC(=O)Cc1[nH]cc[nH+]1)C(=O)[C@@H]1CCNC1=O ZINC001496461214 893521599 /nfs/dbraw/zinc/52/15/99/893521599.db2.gz SENBMULZOMJWFP-SECBINFHSA-N 1 2 293.327 -1.337 20 0 CAADLO Cc1[nH+]c[nH]c1CC(=O)N(C)CCNC(=O)C(N)=O ZINC001496492054 893523779 /nfs/dbraw/zinc/52/37/79/893523779.db2.gz XCKSWYPKJUQLFW-UHFFFAOYSA-N 1 2 267.289 -1.679 20 0 CAADLO CNC(=O)C[N@H+](C)CCN(C)C(=O)[C@H](C)CC(N)=O ZINC001496757531 893527751 /nfs/dbraw/zinc/52/77/51/893527751.db2.gz VSCGVMXGSJZOFZ-SECBINFHSA-N 1 2 272.349 -1.366 20 0 CAADLO CNC(=O)C[N@@H+](C)CCN(C)C(=O)[C@H](C)CC(N)=O ZINC001496757531 893527763 /nfs/dbraw/zinc/52/77/63/893527763.db2.gz VSCGVMXGSJZOFZ-SECBINFHSA-N 1 2 272.349 -1.366 20 0 CAADLO C[C@@H](C(=O)N(C)CC[N@H+](C)CC(N)=O)N1C(=O)CCC1=O ZINC001496715817 893528940 /nfs/dbraw/zinc/52/89/40/893528940.db2.gz QILZWIHWBGFLBN-VIFPVBQESA-N 1 2 298.343 -1.601 20 0 CAADLO C[C@@H](C(=O)N(C)CC[N@@H+](C)CC(N)=O)N1C(=O)CCC1=O ZINC001496715817 893528950 /nfs/dbraw/zinc/52/89/50/893528950.db2.gz QILZWIHWBGFLBN-VIFPVBQESA-N 1 2 298.343 -1.601 20 0 CAADLO CN(CC[N@H+](C)CC(=O)NC1CC1)C(=O)[C@H]1CNC(=O)N1 ZINC001496770476 893529003 /nfs/dbraw/zinc/52/90/03/893529003.db2.gz HMBHTSHIZQIPAX-SNVBAGLBSA-N 1 2 297.359 -1.663 20 0 CAADLO CN(CC[N@@H+](C)CC(=O)NC1CC1)C(=O)[C@H]1CNC(=O)N1 ZINC001496770476 893529021 /nfs/dbraw/zinc/52/90/21/893529021.db2.gz HMBHTSHIZQIPAX-SNVBAGLBSA-N 1 2 297.359 -1.663 20 0 CAADLO CN(CC[N@H+](C)CC(N)=O)C(=O)c1cn(C)cn1 ZINC001496683885 893529275 /nfs/dbraw/zinc/52/92/75/893529275.db2.gz DIDXNDXFAILROJ-UHFFFAOYSA-N 1 2 253.306 -1.091 20 0 CAADLO CN(CC[N@@H+](C)CC(N)=O)C(=O)c1cn(C)cn1 ZINC001496683885 893529282 /nfs/dbraw/zinc/52/92/82/893529282.db2.gz DIDXNDXFAILROJ-UHFFFAOYSA-N 1 2 253.306 -1.091 20 0 CAADLO CN(CC[N@H+](C)CC(N)=O)C(=O)c1cn(C)nn1 ZINC001496696492 893529440 /nfs/dbraw/zinc/52/94/40/893529440.db2.gz NEOCGPFKYNYRGK-UHFFFAOYSA-N 1 2 254.294 -1.696 20 0 CAADLO CN(CC[N@@H+](C)CC(N)=O)C(=O)c1cn(C)nn1 ZINC001496696492 893529457 /nfs/dbraw/zinc/52/94/57/893529457.db2.gz NEOCGPFKYNYRGK-UHFFFAOYSA-N 1 2 254.294 -1.696 20 0 CAADLO CN(CC[N@H+](C)CC(N)=O)C(=O)C(C)(C)C(N)=O ZINC001496721395 893530449 /nfs/dbraw/zinc/53/04/49/893530449.db2.gz IAEOYSGWZOJVAS-UHFFFAOYSA-N 1 2 258.322 -1.627 20 0 CAADLO CN(CC[N@@H+](C)CC(N)=O)C(=O)C(C)(C)C(N)=O ZINC001496721395 893530464 /nfs/dbraw/zinc/53/04/64/893530464.db2.gz IAEOYSGWZOJVAS-UHFFFAOYSA-N 1 2 258.322 -1.627 20 0 CAADLO CNC(=O)C[N@H+](C)CCN(C)C(=O)C1CN(C(C)=O)C1 ZINC001496692592 893530817 /nfs/dbraw/zinc/53/08/17/893530817.db2.gz KRQVQEPZHWVPIA-UHFFFAOYSA-N 1 2 284.360 -1.399 20 0 CAADLO CNC(=O)C[N@@H+](C)CCN(C)C(=O)C1CN(C(C)=O)C1 ZINC001496692592 893530836 /nfs/dbraw/zinc/53/08/36/893530836.db2.gz KRQVQEPZHWVPIA-UHFFFAOYSA-N 1 2 284.360 -1.399 20 0 CAADLO CCNC(=O)C[N@H+](C)CCN(C)C(=O)[C@@H]1CCN(C)C1=O ZINC001496763203 893531039 /nfs/dbraw/zinc/53/10/39/893531039.db2.gz CQFDKBIXCYKWPW-LLVKDONJSA-N 1 2 298.387 -1.009 20 0 CAADLO CCNC(=O)C[N@@H+](C)CCN(C)C(=O)[C@@H]1CCN(C)C1=O ZINC001496763203 893531058 /nfs/dbraw/zinc/53/10/58/893531058.db2.gz CQFDKBIXCYKWPW-LLVKDONJSA-N 1 2 298.387 -1.009 20 0 CAADLO CN(CC[N@H+](C)CC(N)=O)C(=O)c1cnn(C)c1N ZINC001496689245 893531531 /nfs/dbraw/zinc/53/15/31/893531531.db2.gz MNRYMSZEHCEYQM-UHFFFAOYSA-N 1 2 268.321 -1.509 20 0 CAADLO CN(CC[N@@H+](C)CC(N)=O)C(=O)c1cnn(C)c1N ZINC001496689245 893531549 /nfs/dbraw/zinc/53/15/49/893531549.db2.gz MNRYMSZEHCEYQM-UHFFFAOYSA-N 1 2 268.321 -1.509 20 0 CAADLO CCNC(=O)NC(=O)C[N@H+](C)CCN(C)C(=O)C(N)=O ZINC001496772297 893532170 /nfs/dbraw/zinc/53/21/70/893532170.db2.gz GEKXUHZPRKSOKM-UHFFFAOYSA-N 1 2 287.320 -2.292 20 0 CAADLO CCNC(=O)NC(=O)C[N@@H+](C)CCN(C)C(=O)C(N)=O ZINC001496772297 893532184 /nfs/dbraw/zinc/53/21/84/893532184.db2.gz GEKXUHZPRKSOKM-UHFFFAOYSA-N 1 2 287.320 -2.292 20 0 CAADLO CCNC(=O)C[N@H+](C)CCN(C)C(=O)[C@H]1CCN(C)C1=O ZINC001496763205 893532671 /nfs/dbraw/zinc/53/26/71/893532671.db2.gz CQFDKBIXCYKWPW-NSHDSACASA-N 1 2 298.387 -1.009 20 0 CAADLO CCNC(=O)C[N@@H+](C)CCN(C)C(=O)[C@H]1CCN(C)C1=O ZINC001496763205 893532694 /nfs/dbraw/zinc/53/26/94/893532694.db2.gz CQFDKBIXCYKWPW-NSHDSACASA-N 1 2 298.387 -1.009 20 0 CAADLO CN(CC[N@H+](C)CC(N)=O)C(=O)CN1CC(=O)N(C)C1=O ZINC001496816380 893534332 /nfs/dbraw/zinc/53/43/32/893534332.db2.gz GYPHDYNHCKULCN-UHFFFAOYSA-N 1 2 299.331 -2.244 20 0 CAADLO CN(CC[N@@H+](C)CC(N)=O)C(=O)CN1CC(=O)N(C)C1=O ZINC001496816380 893534341 /nfs/dbraw/zinc/53/43/41/893534341.db2.gz GYPHDYNHCKULCN-UHFFFAOYSA-N 1 2 299.331 -2.244 20 0 CAADLO C[C@@H](C(=O)N(C)CC[N@H+](C)CC(N)=O)[C@H]1CCC(=O)N1 ZINC001496785331 893534681 /nfs/dbraw/zinc/53/46/81/893534681.db2.gz IPXIBMZQJFANHA-NXEZZACHSA-N 1 2 284.360 -1.223 20 0 CAADLO C[C@@H](C(=O)N(C)CC[N@@H+](C)CC(N)=O)[C@H]1CCC(=O)N1 ZINC001496785331 893534687 /nfs/dbraw/zinc/53/46/87/893534687.db2.gz IPXIBMZQJFANHA-NXEZZACHSA-N 1 2 284.360 -1.223 20 0 CAADLO C[C@@H](NS(C)(=O)=O)C(=O)N(C)CC[N@H+](C)CC(N)=O ZINC001496791172 893534856 /nfs/dbraw/zinc/53/48/56/893534856.db2.gz BAQAEZOMDHAEHG-MRVPVSSYSA-N 1 2 294.377 -2.200 20 0 CAADLO C[C@@H](NS(C)(=O)=O)C(=O)N(C)CC[N@@H+](C)CC(N)=O ZINC001496791172 893534871 /nfs/dbraw/zinc/53/48/71/893534871.db2.gz BAQAEZOMDHAEHG-MRVPVSSYSA-N 1 2 294.377 -2.200 20 0 CAADLO C[C@H](NS(C)(=O)=O)C(=O)N(C)CC[N@@H+](C)CC(N)=O ZINC001496791173 893535937 /nfs/dbraw/zinc/53/59/37/893535937.db2.gz BAQAEZOMDHAEHG-QMMMGPOBSA-N 1 2 294.377 -2.200 20 0 CAADLO CN(CC[N@H+](C)CC(N)=O)C(=O)CN1C(=O)CN(C)C1=O ZINC001496831562 893535423 /nfs/dbraw/zinc/53/54/23/893535423.db2.gz COQABWQNSXVFKW-UHFFFAOYSA-N 1 2 299.331 -2.244 20 0 CAADLO CN(CC[N@@H+](C)CC(N)=O)C(=O)CN1C(=O)CN(C)C1=O ZINC001496831562 893535436 /nfs/dbraw/zinc/53/54/36/893535436.db2.gz COQABWQNSXVFKW-UHFFFAOYSA-N 1 2 299.331 -2.244 20 0 CAADLO C[C@H](NS(C)(=O)=O)C(=O)N(C)CC[N@H+](C)CC(N)=O ZINC001496791173 893535917 /nfs/dbraw/zinc/53/59/17/893535917.db2.gz BAQAEZOMDHAEHG-QMMMGPOBSA-N 1 2 294.377 -2.200 20 0 CAADLO C[C@@H](C(=O)N(C)CC[N@H+](C)CC(N)=O)[C@@H]1CCC(=O)N1 ZINC001496785397 893536400 /nfs/dbraw/zinc/53/64/00/893536400.db2.gz IPXIBMZQJFANHA-ZJUUUORDSA-N 1 2 284.360 -1.223 20 0 CAADLO C[C@@H](C(=O)N(C)CC[N@@H+](C)CC(N)=O)[C@@H]1CCC(=O)N1 ZINC001496785397 893536410 /nfs/dbraw/zinc/53/64/10/893536410.db2.gz IPXIBMZQJFANHA-ZJUUUORDSA-N 1 2 284.360 -1.223 20 0 CAADLO CCNC(=O)C[N@H+](C)CCN(C)C(=O)Cc1nnc[nH]1 ZINC001496820010 893536818 /nfs/dbraw/zinc/53/68/18/893536818.db2.gz VPHBSJXPSDJSMO-UHFFFAOYSA-N 1 2 282.348 -1.127 20 0 CAADLO CCNC(=O)C[N@@H+](C)CCN(C)C(=O)Cc1nnc[nH]1 ZINC001496820010 893536841 /nfs/dbraw/zinc/53/68/41/893536841.db2.gz VPHBSJXPSDJSMO-UHFFFAOYSA-N 1 2 282.348 -1.127 20 0 CAADLO CC(C)CNC(=O)C[N@H+](C)CCN(C)C(=O)C(N)=O ZINC001496772591 893537431 /nfs/dbraw/zinc/53/74/31/893537431.db2.gz JQHYQIBTUPULCZ-UHFFFAOYSA-N 1 2 272.349 -1.366 20 0 CAADLO CC(C)CNC(=O)C[N@@H+](C)CCN(C)C(=O)C(N)=O ZINC001496772591 893537450 /nfs/dbraw/zinc/53/74/50/893537450.db2.gz JQHYQIBTUPULCZ-UHFFFAOYSA-N 1 2 272.349 -1.366 20 0 CAADLO CN(CC[N@H+](C)CC(N)=O)C(=O)C1CC(=O)NC(=O)C1 ZINC001496801268 893538102 /nfs/dbraw/zinc/53/81/02/893538102.db2.gz KXHUFTSSKZZURV-UHFFFAOYSA-N 1 2 284.316 -2.085 20 0 CAADLO CN(CC[N@@H+](C)CC(N)=O)C(=O)C1CC(=O)NC(=O)C1 ZINC001496801268 893538117 /nfs/dbraw/zinc/53/81/17/893538117.db2.gz KXHUFTSSKZZURV-UHFFFAOYSA-N 1 2 284.316 -2.085 20 0 CAADLO CCCNC(=O)[C@H](C)[N@H+](C)CCN(C)C(=O)C(N)=O ZINC001496773474 893538578 /nfs/dbraw/zinc/53/85/78/893538578.db2.gz ZTQXLPBQRYRPTK-VIFPVBQESA-N 1 2 272.349 -1.223 20 0 CAADLO CCCNC(=O)[C@H](C)[N@@H+](C)CCN(C)C(=O)C(N)=O ZINC001496773474 893538590 /nfs/dbraw/zinc/53/85/90/893538590.db2.gz ZTQXLPBQRYRPTK-VIFPVBQESA-N 1 2 272.349 -1.223 20 0 CAADLO Cc1noc(C[NH2+]C[C@@H](O)CNC(=O)[C@H]2CCC(=O)N2)n1 ZINC001496950960 893556514 /nfs/dbraw/zinc/55/65/14/893556514.db2.gz RKDNVEUFNPOPGO-RKDXNWHRSA-N 1 2 297.315 -1.777 20 0 CAADLO Cc1nnc(C[NH2+]C[C@@H](O)CNC(=O)c2ncc[nH]2)o1 ZINC001496976612 893568496 /nfs/dbraw/zinc/56/84/96/893568496.db2.gz DUDNZINXOFOQRV-MRVPVSSYSA-N 1 2 280.288 -1.018 20 0 CAADLO Cc1nnc(C[NH2+]C[C@@H](O)CNC(=O)[C@]23C[C@H]2COC3)o1 ZINC001496979541 893570939 /nfs/dbraw/zinc/57/09/39/893570939.db2.gz SGZPRWHUQKGHHU-CWSCBRNRSA-N 1 2 296.327 -1.019 20 0 CAADLO NC(=O)CC(=O)N1CCC[C@H]1CNC(=O)Cc1[nH]cc[nH+]1 ZINC001497150555 893611118 /nfs/dbraw/zinc/61/11/18/893611118.db2.gz MOJTTZGMIOQTIM-VIFPVBQESA-N 1 2 293.327 -1.065 20 0 CAADLO NC(=O)C(=O)NC[C@@H]1CCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001497159685 893611360 /nfs/dbraw/zinc/61/13/60/893611360.db2.gz OOKGUQMPOHXNDF-JTQLQIEISA-N 1 2 293.327 -1.065 20 0 CAADLO NC(=O)C(=O)NC[C@@H]1CCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001497159685 893611364 /nfs/dbraw/zinc/61/13/64/893611364.db2.gz OOKGUQMPOHXNDF-JTQLQIEISA-N 1 2 293.327 -1.065 20 0 CAADLO CCCN(CCNC(=O)C(N)=O)C(=O)Cc1c[nH+]cn1C ZINC001497333452 893617591 /nfs/dbraw/zinc/61/75/91/893617591.db2.gz BDWAUYGHIAMZHD-UHFFFAOYSA-N 1 2 295.343 -1.197 20 0 CAADLO O=C(Cn1cnnn1)NC/C=C/C[NH2+]Cc1nncs1 ZINC001497526608 893619976 /nfs/dbraw/zinc/61/99/76/893619976.db2.gz NTVOQHUASJLUKM-OWOJBTEDSA-N 1 2 294.344 -1.013 20 0 CAADLO O=C(Cn1ncnn1)NC/C=C\C[NH2+]Cc1ncccn1 ZINC001497580047 893622529 /nfs/dbraw/zinc/62/25/29/893622529.db2.gz TWLNUCXUSYARFQ-UPHRSURJSA-N 1 2 288.315 -1.075 20 0 CAADLO Cn1ncnc1C[NH2+]C/C=C\CNC(=O)[C@H]1COCCO1 ZINC001497537022 893622817 /nfs/dbraw/zinc/62/28/17/893622817.db2.gz QCZZUQZAIOBDLG-OTDNITJGSA-N 1 2 295.343 -1.008 20 0 CAADLO C[N@@H+]1CCO[C@H](C(=O)N(CCNC(=O)C(N)=O)C2CC2)C1 ZINC001497540661 893623399 /nfs/dbraw/zinc/62/33/99/893623399.db2.gz LGVDGWYJJWFEKC-JTQLQIEISA-N 1 2 298.343 -2.091 20 0 CAADLO C[N@H+]1CCO[C@H](C(=O)N(CCNC(=O)C(N)=O)C2CC2)C1 ZINC001497540661 893623411 /nfs/dbraw/zinc/62/34/11/893623411.db2.gz LGVDGWYJJWFEKC-JTQLQIEISA-N 1 2 298.343 -2.091 20 0 CAADLO O=C(Cn1ncnn1)NC/C=C/C[NH2+]Cc1ncccn1 ZINC001497580046 893624756 /nfs/dbraw/zinc/62/47/56/893624756.db2.gz TWLNUCXUSYARFQ-OWOJBTEDSA-N 1 2 288.315 -1.075 20 0 CAADLO Cc1nonc1C[NH2+]C/C=C\CNC(=O)c1nnn(C)n1 ZINC001497649523 893626678 /nfs/dbraw/zinc/62/66/78/893626678.db2.gz FOHMXVPGXDDBHJ-ARJAWSKDSA-N 1 2 292.303 -1.023 20 0 CAADLO C[C@H](C[NH2+]Cc1nc(=O)n(C)[nH]1)NC(=O)c1ccn[nH]1 ZINC001497791600 893634795 /nfs/dbraw/zinc/63/47/95/893634795.db2.gz IJPXVJFPYNYDBA-SSDOTTSWSA-N 1 2 279.304 -1.260 20 0 CAADLO CNC(=O)NCC(=O)N[C@H](C)C[NH2+]Cc1nc(C)no1 ZINC001497825373 893637442 /nfs/dbraw/zinc/63/74/42/893637442.db2.gz MJBLQICFXRRZQO-SSDOTTSWSA-N 1 2 284.320 -1.099 20 0 CAADLO CCc1nnc(C[NH2+]C[C@@H](C)NC(=O)[C@H]2CNC(=O)N2)o1 ZINC001497895117 893642238 /nfs/dbraw/zinc/64/22/38/893642238.db2.gz QMJCFCSIKRNPEN-HTQZYQBOSA-N 1 2 296.331 -1.092 20 0 CAADLO C[C@@H](C[NH2+]Cc1cnsn1)NC(=O)Cn1ncnn1 ZINC001498043766 893649816 /nfs/dbraw/zinc/64/98/16/893649816.db2.gz QAEHMRBCEYDAPG-ZETCQYMHSA-N 1 2 282.333 -1.181 20 0 CAADLO COCCOCC(=O)NC1CN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001498136326 893657661 /nfs/dbraw/zinc/65/76/61/893657661.db2.gz SFIWIVBKOOVLQE-UHFFFAOYSA-N 1 2 296.327 -1.058 20 0 CAADLO C[C@H](NC(N)=O)C(=O)NC1CN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001498161042 893661260 /nfs/dbraw/zinc/66/12/60/893661260.db2.gz PDBIVDDINANGAW-ZETCQYMHSA-N 1 2 294.315 -1.664 20 0 CAADLO NC(=O)NCCC(=O)NC1CN(C(=O)Cn2cc[nH+]c2)C1 ZINC001498178534 893663228 /nfs/dbraw/zinc/66/32/28/893663228.db2.gz RVLXRUPYMJBGBX-UHFFFAOYSA-N 1 2 294.315 -1.732 20 0 CAADLO COCC(=O)N[C@@H](C)C[N@H+](C)Cc1nc(=O)n(C)[nH]1 ZINC001498207362 893665017 /nfs/dbraw/zinc/66/50/17/893665017.db2.gz SLAVVMPJUYRQEC-QMMMGPOBSA-N 1 2 271.321 -1.309 20 0 CAADLO COCC(=O)N[C@@H](C)C[N@@H+](C)Cc1nc(=O)n(C)[nH]1 ZINC001498207362 893665025 /nfs/dbraw/zinc/66/50/25/893665025.db2.gz SLAVVMPJUYRQEC-QMMMGPOBSA-N 1 2 271.321 -1.309 20 0 CAADLO C[C@H](C[N@H+](C)Cc1cnnn1C)NC(=O)[C@H](C)NC(N)=O ZINC001498286421 893669162 /nfs/dbraw/zinc/66/91/62/893669162.db2.gz GUPHRSCXBDPIFT-BDAKNGLRSA-N 1 2 297.363 -1.192 20 0 CAADLO C[C@H](C[N@@H+](C)Cc1cnnn1C)NC(=O)[C@H](C)NC(N)=O ZINC001498286421 893669168 /nfs/dbraw/zinc/66/91/68/893669168.db2.gz GUPHRSCXBDPIFT-BDAKNGLRSA-N 1 2 297.363 -1.192 20 0 CAADLO CC(=O)NCC(=O)N1CC(NC(=O)Cn2cc[nH+]c2)C1 ZINC001498266551 893669213 /nfs/dbraw/zinc/66/92/13/893669213.db2.gz KSQSBAIVENMHCE-UHFFFAOYSA-N 1 2 279.300 -1.654 20 0 CAADLO CC(=O)NCC(=O)N1CC(NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001498246379 893669287 /nfs/dbraw/zinc/66/92/87/893669287.db2.gz MKUSFDBSIZVIRO-UHFFFAOYSA-N 1 2 293.327 -1.195 20 0 CAADLO CC(=O)NCC(=O)N1CC(NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001498246379 893669293 /nfs/dbraw/zinc/66/92/93/893669293.db2.gz MKUSFDBSIZVIRO-UHFFFAOYSA-N 1 2 293.327 -1.195 20 0 CAADLO CCNC(=O)C[N@H+](C)C[C@@H](C)NC(=O)c1cn[nH]n1 ZINC001498327804 893672744 /nfs/dbraw/zinc/67/27/44/893672744.db2.gz ZXWMSWARWSHHCB-MRVPVSSYSA-N 1 2 268.321 -1.009 20 0 CAADLO CCNC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)c1cn[nH]n1 ZINC001498327804 893672751 /nfs/dbraw/zinc/67/27/51/893672751.db2.gz ZXWMSWARWSHHCB-MRVPVSSYSA-N 1 2 268.321 -1.009 20 0 CAADLO CCNC(=O)C[N@H+](C)C[C@@H](C)NC(=O)c1cnn[nH]1 ZINC001498327804 893672759 /nfs/dbraw/zinc/67/27/59/893672759.db2.gz ZXWMSWARWSHHCB-MRVPVSSYSA-N 1 2 268.321 -1.009 20 0 CAADLO CCNC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)c1cnn[nH]1 ZINC001498327804 893672766 /nfs/dbraw/zinc/67/27/66/893672766.db2.gz ZXWMSWARWSHHCB-MRVPVSSYSA-N 1 2 268.321 -1.009 20 0 CAADLO CCNC(=O)NC(=O)C[N@H+](C)C[C@@H](C)NC(=O)C(N)=O ZINC001498402851 893680279 /nfs/dbraw/zinc/68/02/79/893680279.db2.gz XWUCXJZWHKCXIL-SSDOTTSWSA-N 1 2 287.320 -2.246 20 0 CAADLO CCNC(=O)NC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)C(N)=O ZINC001498402851 893680283 /nfs/dbraw/zinc/68/02/83/893680283.db2.gz XWUCXJZWHKCXIL-SSDOTTSWSA-N 1 2 287.320 -2.246 20 0 CAADLO CNC(=O)[C@H](C)[NH2+]CCCN(C)C(=O)Cc1ncn[nH]1 ZINC001498638486 893685340 /nfs/dbraw/zinc/68/53/40/893685340.db2.gz GLHZYEBBTGIPGG-VIFPVBQESA-N 1 2 282.348 -1.080 20 0 CAADLO Cc1nonc1C[NH2+]C[C@@H](NC(=O)C(N)=O)C1CC1 ZINC001498814566 893692185 /nfs/dbraw/zinc/69/21/85/893692185.db2.gz KQXSEZMMPNGFJR-SECBINFHSA-N 1 2 267.289 -1.152 20 0 CAADLO CCN(C(=O)C(N)=O)[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001498848250 893692851 /nfs/dbraw/zinc/69/28/51/893692851.db2.gz XJMSPDITONEWEU-SNVBAGLBSA-N 1 2 293.327 -1.113 20 0 CAADLO CC(=O)NCC(=O)NC[C@H]1CC[N@@H+]1CCNC(=O)C1CC1 ZINC001498912172 893693142 /nfs/dbraw/zinc/69/31/42/893693142.db2.gz FCUOUILEWPEVKG-GFCCVEGCSA-N 1 2 296.371 -1.161 20 0 CAADLO CC(=O)NCC(=O)NC[C@H]1CC[N@H+]1CCNC(=O)C1CC1 ZINC001498912172 893693153 /nfs/dbraw/zinc/69/31/53/893693153.db2.gz FCUOUILEWPEVKG-GFCCVEGCSA-N 1 2 296.371 -1.161 20 0 CAADLO Cn1nnnc1C[NH2+]C[C@@H](NC(=O)c1nnc[nH]1)C1CC1 ZINC001498846299 893694077 /nfs/dbraw/zinc/69/40/77/893694077.db2.gz XZXBIPIJAVOUJI-MRVPVSSYSA-N 1 2 291.319 -1.374 20 0 CAADLO CC(=O)NCC(=O)NC[C@H]1CC[N@@H+]1[C@@H]1CCNC1=O ZINC001498911838 893694645 /nfs/dbraw/zinc/69/46/45/893694645.db2.gz AHCGSJZMSMYQRC-NXEZZACHSA-N 1 2 268.317 -1.799 20 0 CAADLO CC(=O)NCC(=O)NC[C@H]1CC[N@H+]1[C@@H]1CCNC1=O ZINC001498911838 893694651 /nfs/dbraw/zinc/69/46/51/893694651.db2.gz AHCGSJZMSMYQRC-NXEZZACHSA-N 1 2 268.317 -1.799 20 0 CAADLO CC[C@@H](C(N)=O)[N@@H+]1CC[C@@H]1CNC(=O)CNC(C)=O ZINC001498913443 893695902 /nfs/dbraw/zinc/69/59/02/893695902.db2.gz UJTKSTSCSLOCIU-ZJUUUORDSA-N 1 2 270.333 -1.423 20 0 CAADLO CC[C@@H](C(N)=O)[N@H+]1CC[C@@H]1CNC(=O)CNC(C)=O ZINC001498913443 893695913 /nfs/dbraw/zinc/69/59/13/893695913.db2.gz UJTKSTSCSLOCIU-ZJUUUORDSA-N 1 2 270.333 -1.423 20 0 CAADLO COC(=O)NCC(=O)NC[C@@H]1CC[N@@H+]1[C@H]1CCN(C)C1=O ZINC001498934708 893696715 /nfs/dbraw/zinc/69/67/15/893696715.db2.gz OPEYWMQNEYPPIV-UWVGGRQHSA-N 1 2 298.343 -1.236 20 0 CAADLO COC(=O)NCC(=O)NC[C@@H]1CC[N@H+]1[C@H]1CCN(C)C1=O ZINC001498934708 893696723 /nfs/dbraw/zinc/69/67/23/893696723.db2.gz OPEYWMQNEYPPIV-UWVGGRQHSA-N 1 2 298.343 -1.236 20 0 CAADLO NC(=O)CC(=O)NC[C@H]1CC[N@@H+]1[C@@H]1CCNC1=O ZINC001498953238 893696773 /nfs/dbraw/zinc/69/67/73/893696773.db2.gz SDIMHBTVQWYISP-HTQZYQBOSA-N 1 2 254.290 -2.059 20 0 CAADLO NC(=O)CC(=O)NC[C@H]1CC[N@H+]1[C@@H]1CCNC1=O ZINC001498953238 893696779 /nfs/dbraw/zinc/69/67/79/893696779.db2.gz SDIMHBTVQWYISP-HTQZYQBOSA-N 1 2 254.290 -2.059 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CC[C@@H]1CNC(=O)CCn1cncn1 ZINC001498929569 893697295 /nfs/dbraw/zinc/69/72/95/893697295.db2.gz SPDDSVOFZMFCPV-NXEZZACHSA-N 1 2 280.332 -1.268 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CC[C@@H]1CNC(=O)CCn1cncn1 ZINC001498929569 893697302 /nfs/dbraw/zinc/69/73/02/893697302.db2.gz SPDDSVOFZMFCPV-NXEZZACHSA-N 1 2 280.332 -1.268 20 0 CAADLO COC(=O)NCC(=O)NC[C@H]1CC[N@@H+]1[C@H]1CCN(C)C1=O ZINC001498934710 893698207 /nfs/dbraw/zinc/69/82/07/893698207.db2.gz OPEYWMQNEYPPIV-ZJUUUORDSA-N 1 2 298.343 -1.236 20 0 CAADLO COC(=O)NCC(=O)NC[C@H]1CC[N@H+]1[C@H]1CCN(C)C1=O ZINC001498934710 893698213 /nfs/dbraw/zinc/69/82/13/893698213.db2.gz OPEYWMQNEYPPIV-ZJUUUORDSA-N 1 2 298.343 -1.236 20 0 CAADLO Cn1cc(C[N@@H+]2CC[C@@H]2CNC(=O)Cn2cnnn2)cn1 ZINC001498920386 893698331 /nfs/dbraw/zinc/69/83/31/893698331.db2.gz LCRBPTWZLJPWRQ-LLVKDONJSA-N 1 2 290.331 -1.203 20 0 CAADLO Cn1cc(C[N@H+]2CC[C@@H]2CNC(=O)Cn2cnnn2)cn1 ZINC001498920386 893698343 /nfs/dbraw/zinc/69/83/43/893698343.db2.gz LCRBPTWZLJPWRQ-LLVKDONJSA-N 1 2 290.331 -1.203 20 0 CAADLO CCN(C)C(=O)C[N@@H+]1CC[C@@H]1CNC(=O)CNC(=O)NC ZINC001498993252 893702461 /nfs/dbraw/zinc/70/24/61/893702461.db2.gz ZBNZWEJVJVFQAD-SNVBAGLBSA-N 1 2 299.375 -1.416 20 0 CAADLO CCN(C)C(=O)C[N@H+]1CC[C@@H]1CNC(=O)CNC(=O)NC ZINC001498993252 893702472 /nfs/dbraw/zinc/70/24/72/893702472.db2.gz ZBNZWEJVJVFQAD-SNVBAGLBSA-N 1 2 299.375 -1.416 20 0 CAADLO Cn1nnnc1CN1CC[C@@H]1CNC(=O)Cc1c[nH]c[nH+]1 ZINC001499072938 893703700 /nfs/dbraw/zinc/70/37/00/893703700.db2.gz ROXGFMIGEUIQJX-SNVBAGLBSA-N 1 2 290.331 -1.134 20 0 CAADLO O=C(CCN1CCOCC1)NC[C@H]1CC[N@H+]1CCO ZINC001499082167 893703965 /nfs/dbraw/zinc/70/39/65/893703965.db2.gz PJGXNWAMMMGMRP-GFCCVEGCSA-N 1 2 271.361 -1.109 20 0 CAADLO O=C(CCN1CCOCC1)NC[C@H]1CC[N@@H+]1CCO ZINC001499082167 893703977 /nfs/dbraw/zinc/70/39/77/893703977.db2.gz PJGXNWAMMMGMRP-GFCCVEGCSA-N 1 2 271.361 -1.109 20 0 CAADLO NC(=O)NCCC(=O)NC[C@@H]1CC[N@@H+]1[C@H]1CCNC1=O ZINC001499114308 893704632 /nfs/dbraw/zinc/70/46/32/893704632.db2.gz KULNHXJKHVNRLQ-IUCAKERBSA-N 1 2 283.332 -1.876 20 0 CAADLO NC(=O)NCCC(=O)NC[C@@H]1CC[N@H+]1[C@H]1CCNC1=O ZINC001499114308 893704654 /nfs/dbraw/zinc/70/46/54/893704654.db2.gz KULNHXJKHVNRLQ-IUCAKERBSA-N 1 2 283.332 -1.876 20 0 CAADLO Cn1cnc(C(=O)NCC2([NH2+]Cc3cnn(C)n3)CC2)n1 ZINC001499217079 893710033 /nfs/dbraw/zinc/71/00/33/893710033.db2.gz QYCRWDLOFRZJCR-UHFFFAOYSA-N 1 2 290.331 -1.004 20 0 CAADLO COC(=O)NCC(=O)NCC1([NH2+]Cc2nncn2C)CC1 ZINC001499165569 893710198 /nfs/dbraw/zinc/71/01/98/893710198.db2.gz OTDABLPLMIPKBD-UHFFFAOYSA-N 1 2 296.331 -1.091 20 0 CAADLO NC(=O)CN1CC[C@@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001499136268 893710621 /nfs/dbraw/zinc/71/06/21/893710621.db2.gz IJIQYEZGGJQDNI-SECBINFHSA-N 1 2 251.290 -1.441 20 0 CAADLO O=C(Cn1cc[nH+]c1)NC[C@@H]1CCN1[C@@H]1CCNC1=O ZINC001499136141 893711056 /nfs/dbraw/zinc/71/10/56/893711056.db2.gz HZBGQALOCXJORK-WDEREUQCSA-N 1 2 277.328 -1.038 20 0 CAADLO NC(=O)CN1CC[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001499136269 893711263 /nfs/dbraw/zinc/71/12/63/893711263.db2.gz IJIQYEZGGJQDNI-VIFPVBQESA-N 1 2 251.290 -1.441 20 0 CAADLO Cn1nnnc1C[NH2+]C1(CNC(=O)[C@@H]2CCNC2=O)CC1 ZINC001499310807 893712758 /nfs/dbraw/zinc/71/27/58/893712758.db2.gz SOUDKCFBCOWENW-MRVPVSSYSA-N 1 2 293.331 -1.915 20 0 CAADLO CC[C@H](CNC(=O)C(N)=O)NC(=O)CCc1c[nH]c[nH+]1 ZINC001499321818 893714319 /nfs/dbraw/zinc/71/43/19/893714319.db2.gz JRCYYUHYUTXPII-MRVPVSSYSA-N 1 2 281.316 -1.161 20 0 CAADLO CC[C@H](CNC(=O)C(N)=O)NC(=O)CCc1c[nH+]c[nH]1 ZINC001499321818 893714330 /nfs/dbraw/zinc/71/43/30/893714330.db2.gz JRCYYUHYUTXPII-MRVPVSSYSA-N 1 2 281.316 -1.161 20 0 CAADLO Cn1ncc(C[NH2+]C2(CNC(=O)c3cnn(C)n3)CC2)n1 ZINC001499383171 893717218 /nfs/dbraw/zinc/71/72/18/893717218.db2.gz SBRZUIZVQDBBQV-UHFFFAOYSA-N 1 2 290.331 -1.004 20 0 CAADLO Cc1nnc(C[NH2+]C2(CNC(=O)[C@@H]3CNC(=O)N3)CC2)[nH]1 ZINC001499335321 893717254 /nfs/dbraw/zinc/71/72/54/893717254.db2.gz SGNBYVWZSJBGTM-QMMMGPOBSA-N 1 2 293.331 -1.467 20 0 CAADLO O=C(CCn1cnnn1)NCC1([NH2+]Cc2cnon2)CC1 ZINC001499398009 893717648 /nfs/dbraw/zinc/71/76/48/893717648.db2.gz HLNJORALQJHXRM-UHFFFAOYSA-N 1 2 292.303 -1.115 20 0 CAADLO Cc1nnc([C@@H](C)[NH2+]C2(CNC(=O)C(N)=O)CC2)[nH]1 ZINC001499336611 893718258 /nfs/dbraw/zinc/71/82/58/893718258.db2.gz ZPSJYMVMXYGXCI-ZCFIWIBFSA-N 1 2 266.305 -1.102 20 0 CAADLO Cn1ncnc1C[NH2+]C1(CNC(=O)[C@@H]2CCC(=O)N2)CC1 ZINC001499425398 893718811 /nfs/dbraw/zinc/71/88/11/893718811.db2.gz FOKPZWMEHWNXML-VIFPVBQESA-N 1 2 292.343 -1.168 20 0 CAADLO CC[C@H](CNC(=O)Cc1c[nH]c[nH+]1)NC(=O)CC(N)=O ZINC001499406767 893719479 /nfs/dbraw/zinc/71/94/79/893719479.db2.gz OHSCZKWEOFSZTF-MRVPVSSYSA-N 1 2 281.316 -1.161 20 0 CAADLO COCC[NH+]1CC(N(C)C(=O)CCNS(C)(=O)=O)C1 ZINC001499683315 893720638 /nfs/dbraw/zinc/72/06/38/893720638.db2.gz JOPGWHLQEYCEEL-UHFFFAOYSA-N 1 2 293.389 -1.285 20 0 CAADLO CNS(=O)(=O)CCC(=O)N(C)C1C[NH+](CCO)C1 ZINC001499666775 893720958 /nfs/dbraw/zinc/72/09/58/893720958.db2.gz DDLUHXHNOQQWEO-UHFFFAOYSA-N 1 2 279.362 -1.939 20 0 CAADLO CC(=O)N[C@@H](C)C(=O)N(C)C1C[NH+](CCn2cncn2)C1 ZINC001499624731 893721456 /nfs/dbraw/zinc/72/14/56/893721456.db2.gz CCLMBWHRBQHYMT-JTQLQIEISA-N 1 2 294.359 -1.055 20 0 CAADLO CC(=O)N[C@H](C)C(=O)N(C)C1C[NH+](CCn2cncn2)C1 ZINC001499624732 893722309 /nfs/dbraw/zinc/72/23/09/893722309.db2.gz CCLMBWHRBQHYMT-SNVBAGLBSA-N 1 2 294.359 -1.055 20 0 CAADLO CN(C(=O)[C@@H]1CNC(=O)N1)C1C[NH+](CCOCCO)C1 ZINC001499737036 893725606 /nfs/dbraw/zinc/72/56/06/893725606.db2.gz DYPUNCYLHKDKHO-JTQLQIEISA-N 1 2 286.332 -2.181 20 0 CAADLO CC(C)(C)NC(=O)C[N@@H+]1CC[C@](C)(NC(=O)C(N)=O)C1 ZINC001500253544 893732558 /nfs/dbraw/zinc/73/25/58/893732558.db2.gz GWKVRTXCAWMASL-ZDUSSCGKSA-N 1 2 284.360 -1.033 20 0 CAADLO CC(C)(C)NC(=O)C[N@H+]1CC[C@](C)(NC(=O)C(N)=O)C1 ZINC001500253544 893732571 /nfs/dbraw/zinc/73/25/71/893732571.db2.gz GWKVRTXCAWMASL-ZDUSSCGKSA-N 1 2 284.360 -1.033 20 0 CAADLO C[C@@]1(NC(=O)CS(C)(=O)=O)CC[N@H+](CCO)C1 ZINC001500192579 893732784 /nfs/dbraw/zinc/73/27/84/893732784.db2.gz PQGVHFFAQYUVBE-SNVBAGLBSA-N 1 2 264.347 -1.396 20 0 CAADLO C[C@@]1(NC(=O)CS(C)(=O)=O)CC[N@@H+](CCO)C1 ZINC001500192579 893732797 /nfs/dbraw/zinc/73/27/97/893732797.db2.gz PQGVHFFAQYUVBE-SNVBAGLBSA-N 1 2 264.347 -1.396 20 0 CAADLO C[C@]1(NC(=O)CS(C)(=O)=O)CC[N@H+](CCO)C1 ZINC001500192578 893733023 /nfs/dbraw/zinc/73/30/23/893733023.db2.gz PQGVHFFAQYUVBE-JTQLQIEISA-N 1 2 264.347 -1.396 20 0 CAADLO C[C@]1(NC(=O)CS(C)(=O)=O)CC[N@@H+](CCO)C1 ZINC001500192578 893733033 /nfs/dbraw/zinc/73/30/33/893733033.db2.gz PQGVHFFAQYUVBE-JTQLQIEISA-N 1 2 264.347 -1.396 20 0 CAADLO CCS(=O)(=O)CC(=O)N[C@@]1(C)CC[N@H+](CCO)C1 ZINC001500293147 893736221 /nfs/dbraw/zinc/73/62/21/893736221.db2.gz RBXZCDHCRZDYHR-NSHDSACASA-N 1 2 278.374 -1.006 20 0 CAADLO CCS(=O)(=O)CC(=O)N[C@@]1(C)CC[N@@H+](CCO)C1 ZINC001500293147 893736228 /nfs/dbraw/zinc/73/62/28/893736228.db2.gz RBXZCDHCRZDYHR-NSHDSACASA-N 1 2 278.374 -1.006 20 0 CAADLO CNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@](C)(NC(=O)C(N)=O)C1 ZINC001500254722 893738050 /nfs/dbraw/zinc/73/80/50/893738050.db2.gz WDOWJZPJQVDHOV-MADCSZMMSA-N 1 2 299.331 -2.104 20 0 CAADLO CNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@](C)(NC(=O)C(N)=O)C1 ZINC001500254722 893738059 /nfs/dbraw/zinc/73/80/59/893738059.db2.gz WDOWJZPJQVDHOV-MADCSZMMSA-N 1 2 299.331 -2.104 20 0 CAADLO Cn1nnnc1C[NH2+]C1(CNC(=O)C(N)=O)CCOCC1 ZINC001500583949 893742155 /nfs/dbraw/zinc/74/21/55/893742155.db2.gz NNYPEJOUGJTZMW-UHFFFAOYSA-N 1 2 297.319 -2.550 20 0 CAADLO NC(=O)C(=O)NC[C@]1(O)CC[N@H+](Cc2cnns2)C1 ZINC001500718052 893750426 /nfs/dbraw/zinc/75/04/26/893750426.db2.gz LKVNQIGRWBULGG-SNVBAGLBSA-N 1 2 285.329 -1.924 20 0 CAADLO NC(=O)C(=O)NC[C@]1(O)CC[N@@H+](Cc2cnns2)C1 ZINC001500718052 893750439 /nfs/dbraw/zinc/75/04/39/893750439.db2.gz LKVNQIGRWBULGG-SNVBAGLBSA-N 1 2 285.329 -1.924 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(O)(CNC(=O)C(F)F)C1 ZINC001500771983 893757545 /nfs/dbraw/zinc/75/75/45/893757545.db2.gz BANNYDRSPYXYOM-ZETCQYMHSA-N 1 2 268.260 -1.578 20 0 CAADLO C[C@H](O)C[NH+]1CC(O)(CNC(=O)[C@H]2CCCOC2)C1 ZINC001500803214 893759428 /nfs/dbraw/zinc/75/94/28/893759428.db2.gz HHANSXQGWURBHN-QWRGUYRKSA-N 1 2 272.345 -1.043 20 0 CAADLO COC[C@@H](C)C(=O)NCC1(O)C[NH+](CCCO)C1 ZINC001500803327 893760191 /nfs/dbraw/zinc/76/01/91/893760191.db2.gz KPOMULCZIYQLLX-SNVBAGLBSA-N 1 2 260.334 -1.186 20 0 CAADLO CCC(=O)NCC(=O)NCC1(O)C[NH+](C[C@H](C)OC)C1 ZINC001500806157 893760474 /nfs/dbraw/zinc/76/04/74/893760474.db2.gz ISQPNSVPKQXYFG-JTQLQIEISA-N 1 2 287.360 -1.290 20 0 CAADLO C[C@@H](O)C[NH+]1CC(O)(CNC(=O)[C@@H]2CCCOC2)C1 ZINC001500803212 893760848 /nfs/dbraw/zinc/76/08/48/893760848.db2.gz HHANSXQGWURBHN-GHMZBOCLSA-N 1 2 272.345 -1.043 20 0 CAADLO C[C@H](O)C[NH+]1CC(O)(CNC(=O)c2cnnn2C)C1 ZINC001500826556 893762500 /nfs/dbraw/zinc/76/25/00/893762500.db2.gz LCWVWVZCXXNZRX-QMMMGPOBSA-N 1 2 269.305 -2.028 20 0 CAADLO Cc1cc(C(=O)NCC2(O)C[NH+](CCCO)C2)ncn1 ZINC001500819488 893762553 /nfs/dbraw/zinc/76/25/53/893762553.db2.gz QRPVYFYMGMOUTI-UHFFFAOYSA-N 1 2 280.328 -1.056 20 0 CAADLO Cn1cnc(C(=O)NCC2(O)C[NH+](CCCO)C2)n1 ZINC001500830720 893763524 /nfs/dbraw/zinc/76/35/24/893763524.db2.gz XRCQIWJEGXFJIA-UHFFFAOYSA-N 1 2 269.305 -2.026 20 0 CAADLO O=C(Cc1ccon1)NCC1(O)C[NH+](CCCO)C1 ZINC001500808856 893763570 /nfs/dbraw/zinc/76/35/70/893763570.db2.gz IFZXXPBEPIVKME-UHFFFAOYSA-N 1 2 269.301 -1.238 20 0 CAADLO CNC(=O)CCCC(=O)NCC1(O)C[NH+](C[C@@H](C)O)C1 ZINC001500821039 893763597 /nfs/dbraw/zinc/76/35/97/893763597.db2.gz HOGYUSFHMQADKG-SNVBAGLBSA-N 1 2 287.360 -1.554 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(O)(CNC(=O)CC(C)(C)O)C1 ZINC001500826416 893764118 /nfs/dbraw/zinc/76/41/18/893764118.db2.gz HJWZJDBZUSWVDA-JTQLQIEISA-N 1 2 290.360 -1.682 20 0 CAADLO O=C(NCC1(O)C[NH+](CCCF)C1)[C@@H]1COC(=O)N1 ZINC001500826626 893764483 /nfs/dbraw/zinc/76/44/83/893764483.db2.gz NEXUDWYKKTYVIK-QMMMGPOBSA-N 1 2 275.280 -1.383 20 0 CAADLO CCOCC[NH+]1CC(O)(CNC(=O)CC(N)=O)C1 ZINC001500808934 893764730 /nfs/dbraw/zinc/76/47/30/893764730.db2.gz LMPAIVCQQVOLGR-UHFFFAOYSA-N 1 2 259.306 -1.939 20 0 CAADLO COCC1(C(=O)NCC2(O)C[NH+](C[C@H](C)O)C2)CC1 ZINC001500881088 893766288 /nfs/dbraw/zinc/76/62/88/893766288.db2.gz FXUBJJXGJWOZKM-JTQLQIEISA-N 1 2 272.345 -1.043 20 0 CAADLO C[C@@H](O)C[NH+]1CC(O)(CNC(=O)c2coc(C(N)=O)c2)C1 ZINC001500887062 893767100 /nfs/dbraw/zinc/76/71/00/893767100.db2.gz UFXNBLXWUFCEBF-MRVPVSSYSA-N 1 2 297.311 -1.464 20 0 CAADLO C[C@H](O)C[NH+]1CC(O)(CNC(=O)c2cc(=O)n(C)cn2)C1 ZINC001500854665 893767123 /nfs/dbraw/zinc/76/71/23/893767123.db2.gz AGWACCGYVNKEEX-VIFPVBQESA-N 1 2 296.327 -2.062 20 0 CAADLO CNC(=O)NCC(=O)NCC1(O)C[NH+](C[C@@H](C)O)C1 ZINC001500848172 893767192 /nfs/dbraw/zinc/76/71/92/893767192.db2.gz LGYQCSNBZZECKW-MRVPVSSYSA-N 1 2 274.321 -2.541 20 0 CAADLO COC[C@@H](C)[NH+]1CC(O)(CNC(=O)C2(C(N)=O)CC2)C1 ZINC001500911965 893770184 /nfs/dbraw/zinc/77/01/84/893770184.db2.gz DXUGCJXSZPAHRB-SECBINFHSA-N 1 2 285.344 -1.550 20 0 CAADLO C[C@H](O)C[NH+]1CC(O)(CNC(=O)[C@@H]2CCC(=O)N2C)C1 ZINC001500902775 893770383 /nfs/dbraw/zinc/77/03/83/893770383.db2.gz TVRKHFBJPNPFFR-UWVGGRQHSA-N 1 2 285.344 -1.849 20 0 CAADLO Cn1c(C(=O)NCC2(O)C[NH+](CCCO)C2)c[nH]c1=O ZINC001500899661 893770567 /nfs/dbraw/zinc/77/05/67/893770567.db2.gz KQZQKMZXIPHLHV-UHFFFAOYSA-N 1 2 284.316 -1.715 20 0 CAADLO CC(C)OCC[NH+]1CC(O)(CNC(=O)C2(C(N)=O)CC2)C1 ZINC001500912357 893771581 /nfs/dbraw/zinc/77/15/81/893771581.db2.gz IHMGIPYVVOPKBS-UHFFFAOYSA-N 1 2 299.371 -1.160 20 0 CAADLO C[C@@H](O)CCC[NH+]1CC(O)(CNC(=O)c2nnn(C)n2)C1 ZINC001500902842 893771866 /nfs/dbraw/zinc/77/18/66/893771866.db2.gz VIIPYBISTLBOGM-SECBINFHSA-N 1 2 298.347 -1.852 20 0 CAADLO C[C@H](O)C[NH+]1CC(O)(CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001500904523 893772155 /nfs/dbraw/zinc/77/21/55/893772155.db2.gz ARNGNNDQHJEYFH-UKKRHICBSA-N 1 2 270.329 -1.578 20 0 CAADLO CCOCC[NH+]1CC(O)(CNC(=O)[C@@H]2CCN(C)C2=O)C1 ZINC001500905509 893772167 /nfs/dbraw/zinc/77/21/67/893772167.db2.gz WJORGPFGYODHQV-NSHDSACASA-N 1 2 299.371 -1.336 20 0 CAADLO C[C@H]1OCC[C@@H]1C(=O)NCC1(O)C[NH+](CCCO)C1 ZINC001500953016 893773588 /nfs/dbraw/zinc/77/35/88/893773588.db2.gz NYFUMQBSYKVZMY-MNOVXSKESA-N 1 2 272.345 -1.043 20 0 CAADLO COCc1nocc1C(=O)NCC1(O)C[NH+](C[C@@H](C)O)C1 ZINC001500962640 893773653 /nfs/dbraw/zinc/77/36/53/893773653.db2.gz MFNZBAVTSOTSBN-SECBINFHSA-N 1 2 299.327 -1.022 20 0 CAADLO COC[C@@H](OC)C(=O)NCC1(O)C[NH+](CCCO)C1 ZINC001500920982 893773732 /nfs/dbraw/zinc/77/37/32/893773732.db2.gz PGBXCWSZHCGKGS-SNVBAGLBSA-N 1 2 276.333 -1.807 20 0 CAADLO CNC(=O)C1(C(=O)NCC2(O)C[NH+](C[C@H](C)OC)C2)CC1 ZINC001500946822 893773832 /nfs/dbraw/zinc/77/38/32/893773832.db2.gz PHBYGZFEPIXYKW-JTQLQIEISA-N 1 2 299.371 -1.290 20 0 CAADLO CC(=O)NC(C)(C)C(=O)NCC1(O)C[NH+](C[C@H](C)O)C1 ZINC001500947098 893774384 /nfs/dbraw/zinc/77/43/84/893774384.db2.gz VURJRXHBPYBLIQ-VIFPVBQESA-N 1 2 287.360 -1.555 20 0 CAADLO CCOCC[NH+]1CC(O)(CNC(=O)C2(C(=O)NC)CC2)C1 ZINC001500947074 893774712 /nfs/dbraw/zinc/77/47/12/893774712.db2.gz VJQOSEFGLVNWOI-UHFFFAOYSA-N 1 2 299.371 -1.288 20 0 CAADLO COCc1cc(C(=O)NCC2(O)C[NH+](C[C@@H](C)O)C2)no1 ZINC001500941759 893774805 /nfs/dbraw/zinc/77/48/05/893774805.db2.gz NAIFBCKKMWGTCC-SECBINFHSA-N 1 2 299.327 -1.022 20 0 CAADLO CCn1nc(C)c(C(=O)NCC2(O)C[NH+](C[C@H](C)O)C2)n1 ZINC001500991903 893776740 /nfs/dbraw/zinc/77/67/40/893776740.db2.gz UEDAIRFXJNCGGV-VIFPVBQESA-N 1 2 297.359 -1.236 20 0 CAADLO C[C@H](O)C[NH+]1CC(O)(CNC(=O)C[C@H]2CC(=O)NC2=O)C1 ZINC001500994373 893776935 /nfs/dbraw/zinc/77/69/35/893776935.db2.gz QTOPVYZBGQASHZ-IUCAKERBSA-N 1 2 299.327 -2.417 20 0 CAADLO C[C@@H](O)C[NH+]1CC(O)(CNC(=O)C[C@H]2CC(=O)NC2=O)C1 ZINC001500994371 893777109 /nfs/dbraw/zinc/77/71/09/893777109.db2.gz QTOPVYZBGQASHZ-BDAKNGLRSA-N 1 2 299.327 -2.417 20 0 CAADLO C[C@@H](O)C[NH+]1CC(O)(CNC(=O)c2c[nH]c(C(N)=O)c2)C1 ZINC001500978214 893777397 /nfs/dbraw/zinc/77/73/97/893777397.db2.gz JWRIFYGRPQYKPQ-MRVPVSSYSA-N 1 2 296.327 -1.729 20 0 CAADLO Cc1nc[nH]c1C(=O)NCC1(O)C[NH+](CCCO)C1 ZINC001500994503 893778079 /nfs/dbraw/zinc/77/80/79/893778079.db2.gz SQTNLYQCMJKGJT-UHFFFAOYSA-N 1 2 268.317 -1.123 20 0 CAADLO CCn1nc(C)c(C(=O)NCC2(O)C[NH+](CCCO)C2)n1 ZINC001500990880 893777994 /nfs/dbraw/zinc/77/79/94/893777994.db2.gz BMYJIYJUYCSOPI-UHFFFAOYSA-N 1 2 297.359 -1.235 20 0 CAADLO NC(=O)C(=O)NC[C@H]1CCC[C@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC001501367003 893783853 /nfs/dbraw/zinc/78/38/53/893783853.db2.gz WGBZQJAMALHXLT-PSASIEDQSA-N 1 2 293.327 -1.161 20 0 CAADLO NC(=O)C(=O)N[C@@]1(CO)CCC[N@H+](CC(=O)N2CCC2)C1 ZINC001501345035 893784326 /nfs/dbraw/zinc/78/43/26/893784326.db2.gz AAOZPVRWQURSCT-ZDUSSCGKSA-N 1 2 298.343 -2.353 20 0 CAADLO NC(=O)C(=O)N[C@@]1(CO)CCC[N@@H+](CC(=O)N2CCC2)C1 ZINC001501345035 893784330 /nfs/dbraw/zinc/78/43/30/893784330.db2.gz AAOZPVRWQURSCT-ZDUSSCGKSA-N 1 2 298.343 -2.353 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@@](CO)(NC(=O)Cc2ncc[nH]2)C1 ZINC001501357549 893784350 /nfs/dbraw/zinc/78/43/50/893784350.db2.gz RROZRNWHLSJSKT-CYBMUJFWSA-N 1 2 295.343 -1.619 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@@](CO)(NC(=O)Cc2ncc[nH]2)C1 ZINC001501357549 893784356 /nfs/dbraw/zinc/78/43/56/893784356.db2.gz RROZRNWHLSJSKT-CYBMUJFWSA-N 1 2 295.343 -1.619 20 0 CAADLO CNC(=O)C[N@@H+]1CCC[C@@](CO)(NC(=O)[C@H]2CCOC2)C1 ZINC001501307522 893784482 /nfs/dbraw/zinc/78/44/82/893784482.db2.gz JRBQAGNJZXDBGX-SMDDNHRTSA-N 1 2 299.371 -1.288 20 0 CAADLO CNC(=O)C[N@H+]1CCC[C@@](CO)(NC(=O)[C@H]2CCOC2)C1 ZINC001501307522 893784487 /nfs/dbraw/zinc/78/44/87/893784487.db2.gz JRBQAGNJZXDBGX-SMDDNHRTSA-N 1 2 299.371 -1.288 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@](CO)(NC(=O)Cc2cnoc2)C1 ZINC001501341639 893786841 /nfs/dbraw/zinc/78/68/41/893786841.db2.gz LXCNGCPANLHROU-ZDUSSCGKSA-N 1 2 296.327 -1.355 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@](CO)(NC(=O)Cc2cnoc2)C1 ZINC001501341639 893786859 /nfs/dbraw/zinc/78/68/59/893786859.db2.gz LXCNGCPANLHROU-ZDUSSCGKSA-N 1 2 296.327 -1.355 20 0 CAADLO CC(=O)NC[C@@H](O)CNC(=O)Cc1c[nH+]cn1C ZINC001501368944 893788726 /nfs/dbraw/zinc/78/87/26/893788726.db2.gz HJYAGFRSEZXRNF-SNVBAGLBSA-N 1 2 254.290 -1.424 20 0 CAADLO O=C(Cc1c[nH]c[nH+]1)NC[C@H](O)CNC(=O)c1ccn[nH]1 ZINC001501435311 893794067 /nfs/dbraw/zinc/79/40/67/893794067.db2.gz JINHZIOBHGKKSV-VIFPVBQESA-N 1 2 292.299 -1.418 20 0 CAADLO O=C(Cc1c[nH]c[nH+]1)NC[C@@H](O)CNC(=O)c1ccn[nH]1 ZINC001501435310 893794569 /nfs/dbraw/zinc/79/45/69/893794569.db2.gz JINHZIOBHGKKSV-SECBINFHSA-N 1 2 292.299 -1.418 20 0 CAADLO O=C(Cc1cc[nH]n1)N(CCO)CC[NH2+]Cc1cnon1 ZINC001501445271 893797219 /nfs/dbraw/zinc/79/72/19/893797219.db2.gz BTOBXYVILGCUIQ-UHFFFAOYSA-N 1 2 294.315 -1.054 20 0 CAADLO COC[C@H](C)C(=O)NC[C@H](O)CNC(=O)Cn1cc[nH+]c1 ZINC001501456321 893799355 /nfs/dbraw/zinc/79/93/55/893799355.db2.gz LHSSIFNRVSYJDH-WDEREUQCSA-N 1 2 298.343 -1.241 20 0 CAADLO CO[C@H](C)CC(=O)NC[C@H](O)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001501453158 893799750 /nfs/dbraw/zinc/79/97/50/893799750.db2.gz SXPAPZYTVNPBKU-ZJUUUORDSA-N 1 2 298.343 -1.030 20 0 CAADLO CO[C@@H](C)CC(=O)NC[C@@H](O)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001501453157 893800324 /nfs/dbraw/zinc/80/03/24/893800324.db2.gz SXPAPZYTVNPBKU-VHSXEESVSA-N 1 2 298.343 -1.030 20 0 CAADLO O=C(c1cn[nH]n1)N(CCO)CC[NH2+]Cc1nncs1 ZINC001501469176 893804483 /nfs/dbraw/zinc/80/44/83/893804483.db2.gz HTWHTQNSGGXLCD-UHFFFAOYSA-N 1 2 297.344 -1.120 20 0 CAADLO CC(C)c1nnc(C[NH2+]CCN(CCO)C(=O)C(N)=O)[nH]1 ZINC001501487489 893808508 /nfs/dbraw/zinc/80/85/08/893808508.db2.gz GDPYOQAVWBCWIP-UHFFFAOYSA-N 1 2 298.347 -1.676 20 0 CAADLO CC(=O)NCC(=O)NC/C=C/CNC(=O)Cn1cc[nH+]c1 ZINC001501646142 893822650 /nfs/dbraw/zinc/82/26/50/893822650.db2.gz JKLYFKGDLGTHIE-NSCUHMNNSA-N 1 2 293.327 -1.192 20 0 CAADLO Cn1c[nH+]cc1CN1CCOC[C@@H]1CNC(=O)C(N)=O ZINC001501821984 893824751 /nfs/dbraw/zinc/82/47/51/893824751.db2.gz NFMDBWVJADVGAZ-JTQLQIEISA-N 1 2 281.316 -1.778 20 0 CAADLO NC(=O)CC(=O)NC/C=C/CNC(=O)CCn1cc[nH+]c1 ZINC001501749801 893825184 /nfs/dbraw/zinc/82/51/84/893825184.db2.gz ATMQLOUDGASLKK-OWOJBTEDSA-N 1 2 293.327 -1.063 20 0 CAADLO NC(=O)CN1CCOC[C@H]1CNC(=O)Cc1[nH]cc[nH+]1 ZINC001501834053 893825308 /nfs/dbraw/zinc/82/53/08/893825308.db2.gz GGAAKXMBCASPGG-SECBINFHSA-N 1 2 281.316 -1.746 20 0 CAADLO CCC(=O)NCC(=O)NC[C@@H]1COCC[N@@H+]1CCCO ZINC001501765418 893825859 /nfs/dbraw/zinc/82/58/59/893825859.db2.gz BSRJNHQWIXXPLD-LLVKDONJSA-N 1 2 287.360 -1.288 20 0 CAADLO CCC(=O)NCC(=O)NC[C@@H]1COCC[N@H+]1CCCO ZINC001501765418 893825883 /nfs/dbraw/zinc/82/58/83/893825883.db2.gz BSRJNHQWIXXPLD-LLVKDONJSA-N 1 2 287.360 -1.288 20 0 CAADLO CC[N@@H+]1CCOC[C@@H]1CNC(=O)CNS(=O)(=O)CC ZINC001501782943 893826480 /nfs/dbraw/zinc/82/64/80/893826480.db2.gz BIQBDLPCJUDHQM-JTQLQIEISA-N 1 2 293.389 -1.237 20 0 CAADLO CC[N@H+]1CCOC[C@@H]1CNC(=O)CNS(=O)(=O)CC ZINC001501782943 893826494 /nfs/dbraw/zinc/82/64/94/893826494.db2.gz BIQBDLPCJUDHQM-JTQLQIEISA-N 1 2 293.389 -1.237 20 0 CAADLO Cn1c[nH+]cc1CN1CCOC[C@H]1CNC(=O)C(N)=O ZINC001501821985 893826536 /nfs/dbraw/zinc/82/65/36/893826536.db2.gz NFMDBWVJADVGAZ-SNVBAGLBSA-N 1 2 281.316 -1.778 20 0 CAADLO Cn1c[nH+]cc1CCC(=O)NC/C=C/CNC(=O)C(N)=O ZINC001501959271 893830198 /nfs/dbraw/zinc/83/01/98/893830198.db2.gz FMZPGHKXKVNCKM-NSCUHMNNSA-N 1 2 293.327 -1.373 20 0 CAADLO Cn1c[nH+]cc1CCC(=O)NC/C=C\CNC(=O)C(N)=O ZINC001501959270 893830593 /nfs/dbraw/zinc/83/05/93/893830593.db2.gz FMZPGHKXKVNCKM-IHWYPQMZSA-N 1 2 293.327 -1.373 20 0 CAADLO COC[C@H](OC)C(=O)N[C@@H]1COC2(C[NH+](CCO)C2)C1 ZINC001502464219 893848514 /nfs/dbraw/zinc/84/85/14/893848514.db2.gz GDPGCPFGQYBULY-QWRGUYRKSA-N 1 2 288.344 -1.400 20 0 CAADLO CCC(=O)NCC(=O)N[C@H]1COC2(C[NH+](CCCO)C2)C1 ZINC001502449867 893848636 /nfs/dbraw/zinc/84/86/36/893848636.db2.gz CDHPMNFVRRKRTE-LLVKDONJSA-N 1 2 299.371 -1.146 20 0 CAADLO CCOCC[NH+]1CC2(C1)C[C@H](NC(=O)C(N)=O)CO2 ZINC001502465138 893849312 /nfs/dbraw/zinc/84/93/12/893849312.db2.gz TVNKDMDYMPVONU-VIFPVBQESA-N 1 2 271.317 -1.532 20 0 CAADLO CCC(=O)NCC(=O)N[C@@H]1COC2(C[NH+](C[C@H](C)O)C2)C1 ZINC001502449975 893850024 /nfs/dbraw/zinc/85/00/24/893850024.db2.gz FKXKSQLCYWJROJ-QWRGUYRKSA-N 1 2 299.371 -1.147 20 0 CAADLO COC[C@H](OC)C(=O)N[C@H]1COC2(C[NH+](CCO)C2)C1 ZINC001502464218 893851237 /nfs/dbraw/zinc/85/12/37/893851237.db2.gz GDPGCPFGQYBULY-MNOVXSKESA-N 1 2 288.344 -1.400 20 0 CAADLO COC[C@@H](OC)C(=O)N[C@@H]1COC2(C[NH+](CCO)C2)C1 ZINC001502464220 893851855 /nfs/dbraw/zinc/85/18/55/893851855.db2.gz GDPGCPFGQYBULY-WDEREUQCSA-N 1 2 288.344 -1.400 20 0 CAADLO CCC(=O)NCC(=O)N[C@@H]1COC2(C[NH+](C[C@@H](C)O)C2)C1 ZINC001502449974 893852120 /nfs/dbraw/zinc/85/21/20/893852120.db2.gz FKXKSQLCYWJROJ-MNOVXSKESA-N 1 2 299.371 -1.147 20 0 CAADLO Cn1ccnc1C[NH2+][C@]1(CO)CCCN(C(=O)C(N)=O)C1 ZINC001502586222 893853617 /nfs/dbraw/zinc/85/36/17/893853617.db2.gz HTTMKKAOWHZRMC-CYBMUJFWSA-N 1 2 295.343 -1.652 20 0 CAADLO NC(=O)C[NH2+][C@]1(CO)CCCN(C(=O)Cc2ncn[nH]2)C1 ZINC001502594918 893854176 /nfs/dbraw/zinc/85/41/76/893854176.db2.gz FUDIBNJVJKLCEL-GFCCVEGCSA-N 1 2 296.331 -2.224 20 0 CAADLO Cn1ccnc1C[NH2+][C@@]1(CO)CCCN(C(=O)C(N)=O)C1 ZINC001502586223 893855059 /nfs/dbraw/zinc/85/50/59/893855059.db2.gz HTTMKKAOWHZRMC-ZDUSSCGKSA-N 1 2 295.343 -1.652 20 0 CAADLO C[C@H](CNC(=O)C[C@H](C)n1cc[nH+]c1)NC(=O)C(N)=O ZINC001502603914 893855574 /nfs/dbraw/zinc/85/55/74/893855574.db2.gz CZYGXSBLSCRXSJ-BDAKNGLRSA-N 1 2 281.316 -1.060 20 0 CAADLO C[C@H](CNC(=O)[C@H]1COCCO1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001502683924 893858090 /nfs/dbraw/zinc/85/80/90/893858090.db2.gz BULVPCXBENDENI-MWLCHTKSSA-N 1 2 296.327 -1.012 20 0 CAADLO C[C@H](CNC(=O)[C@H]1CCNC1=O)NC(=O)Cc1c[nH]c[nH+]1 ZINC001502684023 893859437 /nfs/dbraw/zinc/85/94/37/893859437.db2.gz ORJRSEBOOUILBS-SCZZXKLOSA-N 1 2 293.327 -1.291 20 0 CAADLO CNC(=O)CC(=O)NC[C@@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001502683906 893860182 /nfs/dbraw/zinc/86/01/82/893860182.db2.gz AELWWZOSFZOWCC-MRVPVSSYSA-N 1 2 281.316 -1.291 20 0 CAADLO C[C@H](CNC(=O)[C@@H]1CCNC1=O)NC(=O)Cc1c[nH]c[nH+]1 ZINC001502684022 893861314 /nfs/dbraw/zinc/86/13/14/893861314.db2.gz ORJRSEBOOUILBS-PSASIEDQSA-N 1 2 293.327 -1.291 20 0 CAADLO C[C@@H](C(N)=O)[NH+]1CCC(CO)(NC(=O)c2cn[nH]n2)CC1 ZINC001505383767 893871672 /nfs/dbraw/zinc/87/16/72/893871672.db2.gz VNJWLDXYLDNUFC-QMMMGPOBSA-N 1 2 296.331 -1.765 20 0 CAADLO Cn1nncc1C[NH+]1CCC(CO)(NC(=O)C(N)=O)CC1 ZINC001505387086 893875250 /nfs/dbraw/zinc/87/52/50/893875250.db2.gz CBQGFJFBXQSOHR-UHFFFAOYSA-N 1 2 296.331 -2.257 20 0 CAADLO CC(=O)NCC(=O)N1CC[C@H]1CNC(=O)Cc1[nH]cc[nH+]1 ZINC001505847026 893893497 /nfs/dbraw/zinc/89/34/97/893893497.db2.gz ZNHDRYYUJYKEHV-JTQLQIEISA-N 1 2 293.327 -1.195 20 0 CAADLO C[C@@H](CNC(=O)Cn1cnnn1)[N@H+](C)Cc1cnnn1C ZINC001505866016 893900708 /nfs/dbraw/zinc/90/07/08/893900708.db2.gz DWTFXEBVCKXUTK-VIFPVBQESA-N 1 2 293.335 -1.562 20 0 CAADLO C[C@@H](CNC(=O)Cn1cnnn1)[N@@H+](C)Cc1cnnn1C ZINC001505866016 893900717 /nfs/dbraw/zinc/90/07/17/893900717.db2.gz DWTFXEBVCKXUTK-VIFPVBQESA-N 1 2 293.335 -1.562 20 0 CAADLO C[C@H](CNC(=O)c1nnn(C)n1)[N@H+](C)Cc1cnnn1C ZINC001505981543 893907860 /nfs/dbraw/zinc/90/78/60/893907860.db2.gz QTZAANMUVYYONE-MRVPVSSYSA-N 1 2 293.335 -1.411 20 0 CAADLO C[C@H](CNC(=O)c1nnn(C)n1)[N@@H+](C)Cc1cnnn1C ZINC001505981543 893907869 /nfs/dbraw/zinc/90/78/69/893907869.db2.gz QTZAANMUVYYONE-MRVPVSSYSA-N 1 2 293.335 -1.411 20 0 CAADLO COc1cncc(C[N@H+](C)[C@@H](C)CNC(=O)C(N)=O)n1 ZINC001505991620 893911294 /nfs/dbraw/zinc/91/12/94/893911294.db2.gz WWTVUQPQCOBATN-QMMMGPOBSA-N 1 2 281.316 -1.093 20 0 CAADLO COc1cncc(C[N@@H+](C)[C@@H](C)CNC(=O)C(N)=O)n1 ZINC001505991620 893911302 /nfs/dbraw/zinc/91/13/02/893911302.db2.gz WWTVUQPQCOBATN-QMMMGPOBSA-N 1 2 281.316 -1.093 20 0 CAADLO CCN(C(=O)C[N@H+](C)[C@@H](C)CNC(=O)C(N)=O)C1CC1 ZINC001505993462 893912323 /nfs/dbraw/zinc/91/23/23/893912323.db2.gz XAXNIGQSCZWXHR-VIFPVBQESA-N 1 2 284.360 -1.081 20 0 CAADLO CCN(C(=O)C[N@@H+](C)[C@@H](C)CNC(=O)C(N)=O)C1CC1 ZINC001505993462 893912342 /nfs/dbraw/zinc/91/23/42/893912342.db2.gz XAXNIGQSCZWXHR-VIFPVBQESA-N 1 2 284.360 -1.081 20 0 CAADLO C[C@@H](O)C[NH+]1CC(CCO)(NC(=O)c2cnn(C)c2)C1 ZINC001506077832 893915609 /nfs/dbraw/zinc/91/56/09/893915609.db2.gz ANQOXBMHMKTBHF-SNVBAGLBSA-N 1 2 282.344 -1.033 20 0 CAADLO CC(=O)N[C@@H](C)C(=O)NC1(CCO)C[NH+](C[C@@H](C)O)C1 ZINC001506078296 893916590 /nfs/dbraw/zinc/91/65/90/893916590.db2.gz RFLPUPZPSXAVQQ-ZJUUUORDSA-N 1 2 287.360 -1.555 20 0 CAADLO CC(=O)N[C@H](C)C(=O)NC1(CCO)C[NH+](C[C@H](C)O)C1 ZINC001506078295 893916717 /nfs/dbraw/zinc/91/67/17/893916717.db2.gz RFLPUPZPSXAVQQ-VHSXEESVSA-N 1 2 287.360 -1.555 20 0 CAADLO COCC[NH+]1CC(CCO)(NC(=O)[C@H]2COCCO2)C1 ZINC001506080660 893918008 /nfs/dbraw/zinc/91/80/08/893918008.db2.gz FYEWHVGRDDSUJK-LLVKDONJSA-N 1 2 288.344 -1.399 20 0 CAADLO CC(=O)N(C)CC(=O)NC1(CCO)C[NH+](C[C@H](C)O)C1 ZINC001506080982 893918070 /nfs/dbraw/zinc/91/80/70/893918070.db2.gz PARMAYGUHOSEOL-JTQLQIEISA-N 1 2 287.360 -1.602 20 0 CAADLO COCC[NH+]1CC(CCO)(NC(=O)[C@@H]2COCCO2)C1 ZINC001506080661 893918417 /nfs/dbraw/zinc/91/84/17/893918417.db2.gz FYEWHVGRDDSUJK-NSHDSACASA-N 1 2 288.344 -1.399 20 0 CAADLO C[C@H](CC(N)=O)C(=O)NC1(CCO)C[NH+](CCO)C1 ZINC001506110461 893919402 /nfs/dbraw/zinc/91/94/02/893919402.db2.gz RACCCIZRXOBZGV-SECBINFHSA-N 1 2 273.333 -1.957 20 0 CAADLO COC[C@@H](C)[NH+]1CC(CCO)(NC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001506119268 893919813 /nfs/dbraw/zinc/91/98/13/893919813.db2.gz PSLURHQOLIXOFF-MXWKQRLJSA-N 1 2 299.371 -1.304 20 0 CAADLO COCC[NH+]1CC(CCO)(NC(=O)c2cnc[nH]c2=O)C1 ZINC001506102643 893919930 /nfs/dbraw/zinc/91/99/30/893919930.db2.gz UWNYSSQIWSAETA-UHFFFAOYSA-N 1 2 296.327 -1.005 20 0 CAADLO COCC[NH+]1CC(CCO)(NC(=O)[C@H](C)NC(N)=O)C1 ZINC001506092153 893920060 /nfs/dbraw/zinc/92/00/60/893920060.db2.gz YAAHGMGHUBOQMQ-VIFPVBQESA-N 1 2 288.348 -1.757 20 0 CAADLO C[C@@]1(C(=O)NC2(CCO)C[NH+](CCCO)C2)CCC(=O)N1 ZINC001506118137 893920467 /nfs/dbraw/zinc/92/04/67/893920467.db2.gz HAYSJUOZWBZKRW-ZDUSSCGKSA-N 1 2 299.371 -1.410 20 0 CAADLO C[C@@H](O)C[NH+]1CC(CCO)(NC(=O)[C@@H]2CCC(=O)N2C)C1 ZINC001506111692 893920913 /nfs/dbraw/zinc/92/09/13/893920913.db2.gz LBRQIZUWSIYHRT-MNOVXSKESA-N 1 2 299.371 -1.459 20 0 CAADLO CCOCC[NH+]1CC(CCO)(NC(=O)CC(N)=O)C1 ZINC001506087596 893921570 /nfs/dbraw/zinc/92/15/70/893921570.db2.gz NTSHLUYGAKTOHB-UHFFFAOYSA-N 1 2 273.333 -1.549 20 0 CAADLO O=C(CCn1ccnn1)NC1(CCO)C[NH+](CCCO)C1 ZINC001506092152 893921636 /nfs/dbraw/zinc/92/16/36/893921636.db2.gz XZXJENFCDDHXDD-UHFFFAOYSA-N 1 2 297.359 -1.396 20 0 CAADLO O=C(NC1(CCO)C[NH+](CCO)C1)c1cnc[nH]c1=O ZINC001506102677 893921655 /nfs/dbraw/zinc/92/16/55/893921655.db2.gz VZEBEFBLQAEPFF-UHFFFAOYSA-N 1 2 282.300 -1.659 20 0 CAADLO Cn1ccc(CC(=O)NC2(CCO)C[NH+](CCO)C2)n1 ZINC001506096534 893921813 /nfs/dbraw/zinc/92/18/13/893921813.db2.gz QIBAEDWKEFHJJZ-UHFFFAOYSA-N 1 2 282.344 -1.492 20 0 CAADLO CCC(=O)NCC(=O)NC1(CCO)C[NH+](CCOC)C1 ZINC001506085471 893921902 /nfs/dbraw/zinc/92/19/02/893921902.db2.gz FDOHFIIWBGAASQ-UHFFFAOYSA-N 1 2 287.360 -1.288 20 0 CAADLO NC(=O)C(=O)NCC1(NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001506191461 893923315 /nfs/dbraw/zinc/92/33/15/893923315.db2.gz MQHRTJBSLWEWLT-UHFFFAOYSA-N 1 2 265.273 -1.798 20 0 CAADLO Cn1c[nH+]cc1CC(=O)NCC1(NC(=O)C(N)=O)CC1 ZINC001506150448 893924882 /nfs/dbraw/zinc/92/48/82/893924882.db2.gz PUEJZOKGVPSHEO-UHFFFAOYSA-N 1 2 279.300 -1.787 20 0 CAADLO NC(=O)NCC(=O)NC1(CNC(=O)Cn2cc[nH+]c2)CC1 ZINC001506126009 893925117 /nfs/dbraw/zinc/92/51/17/893925117.db2.gz HRGVLINVXKDUPG-UHFFFAOYSA-N 1 2 294.315 -1.684 20 0 CAADLO NC(=O)C(=O)NC1(CNC(=O)CCCn2cc[nH+]c2)CC1 ZINC001506122119 893925675 /nfs/dbraw/zinc/92/56/75/893925675.db2.gz FCNHGZDKUGDOEV-UHFFFAOYSA-N 1 2 293.327 -1.086 20 0 CAADLO CN(C(=O)C(N)=O)C1CN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001506325845 893927795 /nfs/dbraw/zinc/92/77/95/893927795.db2.gz CNEWMPGLLQEPGL-UHFFFAOYSA-N 1 2 293.327 -1.182 20 0 CAADLO C[C@H](NC(=O)CCn1cncn1)C1C[NH+](CC(N)=O)C1 ZINC001506598189 893934659 /nfs/dbraw/zinc/93/46/59/893934659.db2.gz LMIDNYMMFJIXTE-VIFPVBQESA-N 1 2 280.332 -1.410 20 0 CAADLO C[C@H](NC(=O)C[C@H]1CC(=O)NC1=O)C1C[NH+](CC(N)=O)C1 ZINC001506682410 893936388 /nfs/dbraw/zinc/93/63/88/893936388.db2.gz UIAVLESSHYGRLF-YUMQZZPRSA-N 1 2 296.327 -2.039 20 0 CAADLO C[C@H](NC(=O)C[C@@H]1CC(=O)NC1=O)C1C[NH+](CC(N)=O)C1 ZINC001506682408 893936452 /nfs/dbraw/zinc/93/64/52/893936452.db2.gz UIAVLESSHYGRLF-JGVFFNPUSA-N 1 2 296.327 -2.039 20 0 CAADLO C[C@@H](NC(=O)CN1CCCCC1=O)C1C[NH+](CC(N)=O)C1 ZINC001506640612 893936894 /nfs/dbraw/zinc/93/68/94/893936894.db2.gz KSPUJXBNRLACDD-SNVBAGLBSA-N 1 2 296.371 -1.079 20 0 CAADLO C[C@H](NC(=O)C[C@@H]1CCNC1=O)C1C[NH+](CC(N)=O)C1 ZINC001506628138 893936939 /nfs/dbraw/zinc/93/69/39/893936939.db2.gz UKMGXRWXMCTWRX-IUCAKERBSA-N 1 2 282.344 -1.566 20 0 CAADLO C[C@H](NC(=O)[C@H](C)n1cncn1)C1C[NH+](CC(N)=O)C1 ZINC001506606763 893937173 /nfs/dbraw/zinc/93/71/73/893937173.db2.gz BLMOBJGTOGZZSB-IUCAKERBSA-N 1 2 280.332 -1.239 20 0 CAADLO CNC(=O)C[NH+]1CC([C@@H](C)NC(=O)C2(C(N)=O)CC2)C1 ZINC001506651474 893937205 /nfs/dbraw/zinc/93/72/05/893937205.db2.gz UJLJXZLTSIHEEG-MRVPVSSYSA-N 1 2 282.344 -1.566 20 0 CAADLO CCCNC(=O)C[N@@H+]1C[C@@H](NC(=O)C(N)=O)C(C)(C)C1 ZINC001506747098 893939727 /nfs/dbraw/zinc/93/97/27/893939727.db2.gz DGYKUFAWYWKFDM-SECBINFHSA-N 1 2 284.360 -1.176 20 0 CAADLO CCCNC(=O)C[N@H+]1C[C@@H](NC(=O)C(N)=O)C(C)(C)C1 ZINC001506747098 893939737 /nfs/dbraw/zinc/93/97/37/893939737.db2.gz DGYKUFAWYWKFDM-SECBINFHSA-N 1 2 284.360 -1.176 20 0 CAADLO COCCOCC(=O)N[C@H]1C[N@H+](CC(N)=O)CC1(C)C ZINC001506734643 893940535 /nfs/dbraw/zinc/94/05/35/893940535.db2.gz GTQDZHDFILGMCT-JTQLQIEISA-N 1 2 287.360 -1.039 20 0 CAADLO COCCOCC(=O)N[C@H]1C[N@@H+](CC(N)=O)CC1(C)C ZINC001506734643 893940544 /nfs/dbraw/zinc/94/05/44/893940544.db2.gz GTQDZHDFILGMCT-JTQLQIEISA-N 1 2 287.360 -1.039 20 0 CAADLO CCCNC(=O)C[N@@H+]1C[C@H](NC(=O)C(N)=O)C(C)(C)C1 ZINC001506747099 893940799 /nfs/dbraw/zinc/94/07/99/893940799.db2.gz DGYKUFAWYWKFDM-VIFPVBQESA-N 1 2 284.360 -1.176 20 0 CAADLO CCCNC(=O)C[N@H+]1C[C@H](NC(=O)C(N)=O)C(C)(C)C1 ZINC001506747099 893940807 /nfs/dbraw/zinc/94/08/07/893940807.db2.gz DGYKUFAWYWKFDM-VIFPVBQESA-N 1 2 284.360 -1.176 20 0 CAADLO Cn1nncc1C[N@H+](C)CCOCCNC(=O)C(N)=O ZINC001506975178 893953263 /nfs/dbraw/zinc/95/32/63/893953263.db2.gz VZGIKRKDDCKMGM-UHFFFAOYSA-N 1 2 284.320 -2.135 20 0 CAADLO Cn1nncc1C[N@@H+](C)CCOCCNC(=O)C(N)=O ZINC001506975178 893953268 /nfs/dbraw/zinc/95/32/68/893953268.db2.gz VZGIKRKDDCKMGM-UHFFFAOYSA-N 1 2 284.320 -2.135 20 0 CAADLO CC(=O)NCC(=O)NC[C@@H](CO)[NH2+]Cc1nncn1C ZINC001507166538 893962956 /nfs/dbraw/zinc/96/29/56/893962956.db2.gz GUPGJYLVPZMAQK-VIFPVBQESA-N 1 2 284.320 -2.482 20 0 CAADLO Cn1nnnc1C[NH2+][C@H](CO)CNC(=O)C(F)F ZINC001507168064 893964582 /nfs/dbraw/zinc/96/45/82/893964582.db2.gz NQNRJOLFCRKADC-YFKPBYRVSA-N 1 2 264.236 -1.958 20 0 CAADLO CC(=O)NCC(=O)NC[C@@H](CO)[NH2+]Cc1cnn(C)n1 ZINC001507169225 893965012 /nfs/dbraw/zinc/96/50/12/893965012.db2.gz ZLHSXXJKFYRXIR-JTQLQIEISA-N 1 2 284.320 -2.482 20 0 CAADLO Cn1nnnc1C[NH2+][C@@H](CO)CNC(=O)C(F)F ZINC001507168063 893965043 /nfs/dbraw/zinc/96/50/43/893965043.db2.gz NQNRJOLFCRKADC-RXMQYKEDSA-N 1 2 264.236 -1.958 20 0 CAADLO COCC(=O)NC[C@H](CO)[NH2+][C@@H](C)c1nnc(C)[nH]1 ZINC001507167607 893965168 /nfs/dbraw/zinc/96/51/68/893965168.db2.gz LJAMULAULWVIMP-IONNQARKSA-N 1 2 271.321 -1.113 20 0 CAADLO CC(=O)NCC(=O)NC[C@H](CO)[NH2+]Cc1nocc1C ZINC001507169015 893965238 /nfs/dbraw/zinc/96/52/38/893965238.db2.gz YJDUKGALRQZGDW-SNVBAGLBSA-N 1 2 284.316 -1.314 20 0 CAADLO CC(=O)NCC(=O)NC[C@@H](CO)[NH2+]Cc1nocc1C ZINC001507169013 893966024 /nfs/dbraw/zinc/96/60/24/893966024.db2.gz YJDUKGALRQZGDW-JTQLQIEISA-N 1 2 284.316 -1.314 20 0 CAADLO COCC(=O)NC[C@@H](CO)[NH2+][C@H](C)c1nnc(C)[nH]1 ZINC001507167605 893966391 /nfs/dbraw/zinc/96/63/91/893966391.db2.gz LJAMULAULWVIMP-APPZFPTMSA-N 1 2 271.321 -1.113 20 0 CAADLO Cn1cc(C[NH2+][C@@H](CO)CNC(=O)c2cnccn2)nn1 ZINC001507171493 893966534 /nfs/dbraw/zinc/96/65/34/893966534.db2.gz WNQZCNBXSYLMNS-SNVBAGLBSA-N 1 2 291.315 -1.514 20 0 CAADLO COCC(=O)NC[C@@H](CO)[NH2+][C@@H](C)c1nnc(C)[nH]1 ZINC001507167606 893967123 /nfs/dbraw/zinc/96/71/23/893967123.db2.gz LJAMULAULWVIMP-CBAPKCEASA-N 1 2 271.321 -1.113 20 0 CAADLO C[C@@H]([NH2+][C@H](CO)CNC(=O)c1ccn[nH]1)c1nncn1C ZINC001507177219 893969602 /nfs/dbraw/zinc/96/96/02/893969602.db2.gz MZIUJBJGYSIHKA-BDAKNGLRSA-N 1 2 293.331 -1.020 20 0 CAADLO C[C@@H]([NH2+][C@H](CO)CNC(=O)c1ccc[nH]1)c1nnnn1C ZINC001507173279 893970635 /nfs/dbraw/zinc/97/06/35/893970635.db2.gz RYZVUNYMFKERSD-BDAKNGLRSA-N 1 2 293.331 -1.020 20 0 CAADLO Cc1nonc1C[NH2+][C@H](CO)CNC(=O)c1cnn(C)c1 ZINC001507176255 893971135 /nfs/dbraw/zinc/97/11/35/893971135.db2.gz WYAHPRXPMITVDZ-JTQLQIEISA-N 1 2 294.315 -1.008 20 0 CAADLO Cn1ncnc1C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCCO1 ZINC001507174180 893971219 /nfs/dbraw/zinc/97/12/19/893971219.db2.gz HVTHOTRSAJPJCI-ZJUUUORDSA-N 1 2 283.332 -1.439 20 0 CAADLO Cc1cc(C(=O)NC[C@@H](CO)[NH2+]Cc2cn(C)nn2)no1 ZINC001507174620 893971373 /nfs/dbraw/zinc/97/13/73/893971373.db2.gz JKJABSVVBZOGRE-JTQLQIEISA-N 1 2 294.315 -1.008 20 0 CAADLO Cn1ncnc1C[NH2+][C@H](CO)CNC(=O)[C@H]1CCCOC1 ZINC001507177617 893972722 /nfs/dbraw/zinc/97/27/22/893972722.db2.gz HSAMFVKGWHHVCY-QWRGUYRKSA-N 1 2 297.359 -1.192 20 0 CAADLO C[C@H]([NH2+][C@H](CO)CNC(=O)c1ccn[nH]1)c1nncn1C ZINC001507177222 893973453 /nfs/dbraw/zinc/97/34/53/893973453.db2.gz MZIUJBJGYSIHKA-IUCAKERBSA-N 1 2 293.331 -1.020 20 0 CAADLO Cc1conc1C[NH2+][C@@H](CO)CNC(=O)[C@H]1COCCO1 ZINC001507179374 893973594 /nfs/dbraw/zinc/97/35/94/893973594.db2.gz WRUKCLFNWZRUGL-ZYHUDNBSSA-N 1 2 299.327 -1.035 20 0 CAADLO Cc1nnc(C[NH2+][C@@H](CO)CNC(=O)c2ccn[nH]2)[nH]1 ZINC001507177293 893973686 /nfs/dbraw/zinc/97/36/86/893973686.db2.gz NYBJABXVNGDSOS-MRVPVSSYSA-N 1 2 279.304 -1.283 20 0 CAADLO CCn1cc(C[NH2+][C@H](CO)CNC(=O)[C@H](C)OC)nn1 ZINC001507178070 893973852 /nfs/dbraw/zinc/97/38/52/893973852.db2.gz FIUSCTIVNDSBEQ-ONGXEEELSA-N 1 2 285.348 -1.100 20 0 CAADLO Cc1conc1C[NH2+][C@H](CO)CNC(=O)[C@@H]1COCCO1 ZINC001507179370 893973971 /nfs/dbraw/zinc/97/39/71/893973971.db2.gz WRUKCLFNWZRUGL-JQWIXIFHSA-N 1 2 299.327 -1.035 20 0 CAADLO CCn1cc(C[NH2+][C@@H](CO)CNC(=O)[C@H](C)OC)nn1 ZINC001507178067 893975231 /nfs/dbraw/zinc/97/52/31/893975231.db2.gz FIUSCTIVNDSBEQ-GXSJLCMTSA-N 1 2 285.348 -1.100 20 0 CAADLO Cc1conc1C[NH2+][C@@H](CO)CNC(=O)[C@@H]1COCCO1 ZINC001507179372 893975296 /nfs/dbraw/zinc/97/52/96/893975296.db2.gz WRUKCLFNWZRUGL-PWSUYJOCSA-N 1 2 299.327 -1.035 20 0 CAADLO CN(C)C(=O)C[NH2+][C@@H](CO)CNC(=O)CCc1nc[nH]n1 ZINC001507185037 893982159 /nfs/dbraw/zinc/98/21/59/893982159.db2.gz IBKBBTYGBJBLAM-SECBINFHSA-N 1 2 298.347 -2.108 20 0 CAADLO Cn1cc(C(=O)NC[C@H](CO)[NH2+]Cc2ccon2)nn1 ZINC001507190289 893982966 /nfs/dbraw/zinc/98/29/66/893982966.db2.gz VJPRHEXQYHUZQA-SECBINFHSA-N 1 2 280.288 -1.316 20 0 CAADLO Cn1cc(C(=O)NC[C@@H](CO)[NH2+]Cc2ccon2)nn1 ZINC001507190291 893983286 /nfs/dbraw/zinc/98/32/86/893983286.db2.gz VJPRHEXQYHUZQA-VIFPVBQESA-N 1 2 280.288 -1.316 20 0 CAADLO O=C(NC[C@@H](CO)[NH2+]Cc1ccon1)[C@@H]1CCNC(=O)C1 ZINC001507190499 893983734 /nfs/dbraw/zinc/98/37/34/893983734.db2.gz URDJDLNQLLIGEA-KOLCDFICSA-N 1 2 296.327 -1.233 20 0 CAADLO CNC(=O)C[NH2+][C@H](CO)CNC(=O)C(F)C(F)(F)F ZINC001507197767 893993851 /nfs/dbraw/zinc/99/38/51/893993851.db2.gz GLYUZWUOEAPVDF-CAHLUQPWSA-N 1 2 289.229 -1.301 20 0 CAADLO CNC(=O)C[NH2+][C@H](CO)CNC(=O)[C@@H](F)C(F)(F)F ZINC001507197767 893993868 /nfs/dbraw/zinc/99/38/68/893993868.db2.gz GLYUZWUOEAPVDF-CAHLUQPWSA-N 1 2 289.229 -1.301 20 0 CAADLO Cc1conc1C[NH2+][C@H](CO)CNC(=O)c1nnn(C)n1 ZINC001507224000 894001144 /nfs/dbraw/zinc/00/11/44/894001144.db2.gz BFDBWMWEONVPSI-QMMMGPOBSA-N 1 2 295.303 -1.613 20 0 CAADLO Cc1nonc1C[NH2+][C@H](CO)CNC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001507225659 894004812 /nfs/dbraw/zinc/00/48/12/894004812.db2.gz NYIGUNYTRZXHJI-UXCLJVHYSA-N 1 2 296.327 -1.163 20 0 CAADLO Cn1cnnc1C[NH2+][C@@H](CO)CNC(=O)C1(C(N)=O)CC1 ZINC001507228849 894005258 /nfs/dbraw/zinc/00/52/58/894005258.db2.gz HRHIGASEUUEFBK-MRVPVSSYSA-N 1 2 296.331 -2.353 20 0 CAADLO NC(=O)C(=O)NC[C@@H](CO)[NH2+]Cc1cn(CC2CC2)nn1 ZINC001507233359 894008602 /nfs/dbraw/zinc/00/86/02/894008602.db2.gz TWUDNGGQDRHUEK-JTQLQIEISA-N 1 2 296.331 -2.260 20 0 CAADLO CN(C)C(=O)C[NH2+][C@H](CO)CNC(=O)C1=NC(=O)N(C)C1 ZINC001507234654 894009047 /nfs/dbraw/zinc/00/90/47/894009047.db2.gz AAGVJVGMDKDREG-QMMMGPOBSA-N 1 2 299.331 -2.106 20 0 CAADLO CNC(=O)[C@H](C)[NH2+][C@@H](CO)CNC(=O)C1=NC(=O)N(C)C1 ZINC001507235182 894010220 /nfs/dbraw/zinc/01/02/20/894010220.db2.gz MISMJUOXZOFFKW-JGVFFNPUSA-N 1 2 299.331 -2.060 20 0 CAADLO Cn1cc(C[NH2+][C@@H](CO)CNC(=O)C2(C(N)=O)CC2)nn1 ZINC001507229311 894010780 /nfs/dbraw/zinc/01/07/80/894010780.db2.gz MDFWOWDGKNYDFG-SECBINFHSA-N 1 2 296.331 -2.353 20 0 CAADLO CNC(=O)[C@@H](C)[NH2+][C@@H](CO)CNC(=O)C1=NC(=O)N(C)C1 ZINC001507235181 894012070 /nfs/dbraw/zinc/01/20/70/894012070.db2.gz MISMJUOXZOFFKW-HTQZYQBOSA-N 1 2 299.331 -2.060 20 0 CAADLO Cn1cc(C(=O)NC[C@@H](CO)[NH2+]Cc2ccon2)[nH]c1=O ZINC001507235792 894019486 /nfs/dbraw/zinc/01/94/86/894019486.db2.gz ZXVRBLYWVKXBCL-VIFPVBQESA-N 1 2 295.299 -1.006 20 0 CAADLO Cn1ncc(C[NH2+][C@@H](CO)CNC(=O)c2cnon2)n1 ZINC001507239158 894019545 /nfs/dbraw/zinc/01/95/45/894019545.db2.gz MGJGNKJYDWAHGF-MRVPVSSYSA-N 1 2 281.276 -1.921 20 0 CAADLO Cn1ncc(C[NH2+][C@H](CO)CNC(=O)Cc2ncc[nH]2)n1 ZINC001507249857 894022338 /nfs/dbraw/zinc/02/23/38/894022338.db2.gz RCUGRZQCWSBUID-JTQLQIEISA-N 1 2 293.331 -1.652 20 0 CAADLO Cc1conc1C(=O)NC[C@H](CO)[NH2+]Cc1nncn1C ZINC001507250049 894023456 /nfs/dbraw/zinc/02/34/56/894023456.db2.gz QEBYTHDXUHABOX-SECBINFHSA-N 1 2 294.315 -1.008 20 0 CAADLO Cn1ncc(C[NH2+][C@@H](CO)CNC(=O)Cc2ncc[nH]2)n1 ZINC001507249862 894023624 /nfs/dbraw/zinc/02/36/24/894023624.db2.gz RCUGRZQCWSBUID-SNVBAGLBSA-N 1 2 293.331 -1.652 20 0 CAADLO Cn1ncnc1C[NH2+][C@H](CO)CNC(=O)c1cccnn1 ZINC001507243818 894024544 /nfs/dbraw/zinc/02/45/44/894024544.db2.gz LZBWGIKCJVIZHJ-VIFPVBQESA-N 1 2 291.315 -1.514 20 0 CAADLO Cn1nnnc1C[NH2+][C@H](CO)CNC(=O)[C@@H]1CCC(=O)N1 ZINC001507252910 894026913 /nfs/dbraw/zinc/02/69/13/894026913.db2.gz RMWACGNCWDQKPD-YUMQZZPRSA-N 1 2 297.319 -2.945 20 0 CAADLO Cn1ncnc1C[NH2+][C@H](CO)CNC(=O)Cc1ccc[nH]1 ZINC001507265400 894033314 /nfs/dbraw/zinc/03/33/14/894033314.db2.gz PSTBCONEZSCPIH-NSHDSACASA-N 1 2 292.343 -1.047 20 0 CAADLO Cc1nc[nH]c1C(=O)NC[C@H](CO)[NH2+]Cc1nncn1C ZINC001507276336 894035203 /nfs/dbraw/zinc/03/52/03/894035203.db2.gz UDGRSJWYOBFKHD-SECBINFHSA-N 1 2 293.331 -1.273 20 0 CAADLO CC(C)c1nnc(C[NH2+]C[C@@H](O)CN(C)C(=O)C(N)=O)o1 ZINC001507502895 894064170 /nfs/dbraw/zinc/06/41/70/894064170.db2.gz QLJCYQTXJFVZKS-MRVPVSSYSA-N 1 2 299.331 -1.413 20 0 CAADLO CCNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)Cc1ncn[nH]1 ZINC001507528277 894066809 /nfs/dbraw/zinc/06/68/09/894066809.db2.gz GSJZSHBDUDIWAA-VIFPVBQESA-N 1 2 298.347 -2.108 20 0 CAADLO CCc1cnc(C[N@H+](C)C[C@H](O)CN(C)C(=O)C(N)=O)o1 ZINC001507694496 894073686 /nfs/dbraw/zinc/07/36/86/894073686.db2.gz UTELCIHTKHYNJP-VIFPVBQESA-N 1 2 298.343 -1.027 20 0 CAADLO CCc1cnc(C[N@@H+](C)C[C@H](O)CN(C)C(=O)C(N)=O)o1 ZINC001507694496 894073701 /nfs/dbraw/zinc/07/37/01/894073701.db2.gz UTELCIHTKHYNJP-VIFPVBQESA-N 1 2 298.343 -1.027 20 0 CAADLO C[C@H](NC(=O)C(N)=O)C1CC[NH+](Cc2nnnn2C)CC1 ZINC001508082411 894080162 /nfs/dbraw/zinc/08/01/62/894080162.db2.gz HLSWJCGFNOXVFH-QMMMGPOBSA-N 1 2 295.347 -1.588 20 0 CAADLO COCC[N@H+](CCNC(=O)C(N)=O)[C@H]1CCCNC1=O ZINC001508053764 894081163 /nfs/dbraw/zinc/08/11/63/894081163.db2.gz YNWAFPRYPLUOBQ-VIFPVBQESA-N 1 2 286.332 -2.185 20 0 CAADLO COCC[N@@H+](CCNC(=O)C(N)=O)[C@H]1CCCNC1=O ZINC001508053764 894081182 /nfs/dbraw/zinc/08/11/82/894081182.db2.gz YNWAFPRYPLUOBQ-VIFPVBQESA-N 1 2 286.332 -2.185 20 0 CAADLO COCC[N@H+](CCNC(=O)C(N)=O)[C@@H]1CCCNC1=O ZINC001508053763 894081801 /nfs/dbraw/zinc/08/18/01/894081801.db2.gz YNWAFPRYPLUOBQ-SECBINFHSA-N 1 2 286.332 -2.185 20 0 CAADLO COCC[N@@H+](CCNC(=O)C(N)=O)[C@@H]1CCCNC1=O ZINC001508053763 894081822 /nfs/dbraw/zinc/08/18/22/894081822.db2.gz YNWAFPRYPLUOBQ-SECBINFHSA-N 1 2 286.332 -2.185 20 0 CAADLO CNC(=O)C[N@H+](CCNC(=O)c1cn[nH]c1)CCOC ZINC001508045948 894082182 /nfs/dbraw/zinc/08/21/82/894082182.db2.gz FGWXFIJGQBBGNO-UHFFFAOYSA-N 1 2 283.332 -1.166 20 0 CAADLO CNC(=O)C[N@@H+](CCNC(=O)c1cn[nH]c1)CCOC ZINC001508045948 894082200 /nfs/dbraw/zinc/08/22/00/894082200.db2.gz FGWXFIJGQBBGNO-UHFFFAOYSA-N 1 2 283.332 -1.166 20 0 CAADLO COCC[N@H+](CCNC(=O)[C@H]1[C@@H]2COC[C@@H]21)CC(N)=O ZINC001508049194 894082532 /nfs/dbraw/zinc/08/25/32/894082532.db2.gz GEOHZXVDDHJANM-IAZYJMLFSA-N 1 2 285.344 -1.571 20 0 CAADLO COCC[N@@H+](CCNC(=O)[C@H]1[C@@H]2COC[C@@H]21)CC(N)=O ZINC001508049194 894082546 /nfs/dbraw/zinc/08/25/46/894082546.db2.gz GEOHZXVDDHJANM-IAZYJMLFSA-N 1 2 285.344 -1.571 20 0 CAADLO CC(=O)NCC(=O)N(C)C1CC([NH2+]Cc2nnn(C)n2)C1 ZINC001508094404 894082594 /nfs/dbraw/zinc/08/25/94/894082594.db2.gz YJVGDQAAXANDKA-UHFFFAOYSA-N 1 2 295.347 -1.575 20 0 CAADLO CN(CCOCC[NH2+]Cc1cnsn1)C(=O)C(N)=O ZINC001508180856 894086999 /nfs/dbraw/zinc/08/69/99/894086999.db2.gz VFXCGUITPKSCHF-UHFFFAOYSA-N 1 2 287.345 -1.412 20 0 CAADLO CCc1noc(C[NH2+]CCOCCN(C)C(=O)C(N)=O)n1 ZINC001508181383 894087123 /nfs/dbraw/zinc/08/71/23/894087123.db2.gz YPVQAOWJIUOBFP-UHFFFAOYSA-N 1 2 299.331 -1.318 20 0 CAADLO C[C@H](NC(=O)CC(N)=O)[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001508517805 894090264 /nfs/dbraw/zinc/09/02/64/894090264.db2.gz WRKPYBBRUXOATF-IUCAKERBSA-N 1 2 281.316 -1.232 20 0 CAADLO C[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)N(C)C(=O)C(N)=O ZINC001509123359 894095927 /nfs/dbraw/zinc/09/59/27/894095927.db2.gz JGSKMUSAQVCLCH-ZETCQYMHSA-N 1 2 267.289 -1.599 20 0 CAADLO C[C@@H](CNC(=O)C(N)=O)N(C)C(=O)CCc1c[nH+]cn1C ZINC001509053363 894097539 /nfs/dbraw/zinc/09/75/39/894097539.db2.gz FDZQJWYHCAPTBG-VIFPVBQESA-N 1 2 295.343 -1.199 20 0 CAADLO C[C@H](NC(=O)CCn1cc[nH+]c1)C1CN(C(=O)C(N)=O)C1 ZINC001509474913 894102855 /nfs/dbraw/zinc/10/28/55/894102855.db2.gz UJIAJJPSPGMJFD-VIFPVBQESA-N 1 2 293.327 -1.278 20 0 CAADLO C[C@H](NC(=O)C(N)=O)C1CN(C(=O)CCn2cc[nH+]c2)C1 ZINC001509513501 894102880 /nfs/dbraw/zinc/10/28/80/894102880.db2.gz RVCAMPVWEAYOTD-VIFPVBQESA-N 1 2 293.327 -1.278 20 0 CAADLO NC(=O)C(=O)NC[C@H]1C[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001509914514 894104381 /nfs/dbraw/zinc/10/43/81/894104381.db2.gz ZTCWMBTZTWWCIO-ZKCHVHJHSA-N 1 2 279.300 -1.552 20 0 CAADLO CN(C(=O)Cc1c[nH+]c[nH]1)[C@@H](CNC(=O)C(N)=O)C1CC1 ZINC001510412235 894107698 /nfs/dbraw/zinc/10/76/98/894107698.db2.gz CSRPAGMZJWXNRT-JTQLQIEISA-N 1 2 293.327 -1.209 20 0 CAADLO CCC(=O)NC[C@@H](CO)NC(=O)Cc1[nH]cc[nH+]1 ZINC001510810062 894115077 /nfs/dbraw/zinc/11/50/77/894115077.db2.gz UJQMEVGOBALPCY-QMMMGPOBSA-N 1 2 254.290 -1.045 20 0 CAADLO CCC(=O)NC[C@H](CO)NC(=O)Cc1[nH]cc[nH+]1 ZINC001510810060 894116103 /nfs/dbraw/zinc/11/61/03/894116103.db2.gz UJQMEVGOBALPCY-MRVPVSSYSA-N 1 2 254.290 -1.045 20 0 CAADLO COCC(=O)NC[C@@H](CO)NC(=O)Cc1c[nH+]cn1C ZINC001510823747 894120711 /nfs/dbraw/zinc/12/07/11/894120711.db2.gz VSJOPOAKJINODH-VIFPVBQESA-N 1 2 284.316 -1.798 20 0 CAADLO O=C(Cc1[nH]cc[nH+]1)N[C@@H](CO)CNC(=O)[C@H]1CCCO1 ZINC001510845731 894124699 /nfs/dbraw/zinc/12/46/99/894124699.db2.gz TUASTCYHEPFREV-NXEZZACHSA-N 1 2 296.327 -1.276 20 0 CAADLO O=C(Cc1c[nH]c[nH+]1)N[C@H](CO)CNC(=O)c1cn[nH]c1 ZINC001510862962 894126285 /nfs/dbraw/zinc/12/62/85/894126285.db2.gz XGTPFCPMXMIMHH-JTQLQIEISA-N 1 2 292.299 -1.418 20 0 CAADLO CO[C@@H](C)CC(=O)NC[C@H](CO)NC(=O)Cc1c[nH]c[nH+]1 ZINC001510871057 894128984 /nfs/dbraw/zinc/12/89/84/894128984.db2.gz AOBVHNJYNKNRHL-GXSJLCMTSA-N 1 2 298.343 -1.030 20 0 CAADLO O=C(Cc1c[nH]c[nH+]1)N[C@@H](CO)CNC(=O)c1ncc[nH]1 ZINC001510925369 894135152 /nfs/dbraw/zinc/13/51/52/894135152.db2.gz TXPFMOKAOMJRPN-SECBINFHSA-N 1 2 292.299 -1.418 20 0 CAADLO COCC(=O)N[C@@H](CO)CNC(=O)CCc1c[nH]c[nH+]1 ZINC001510989116 894139401 /nfs/dbraw/zinc/13/94/01/894139401.db2.gz XIWNYFILIUSQGN-SNVBAGLBSA-N 1 2 284.316 -1.418 20 0 CAADLO COCC(=O)N[C@@H](CO)CNC(=O)CCc1c[nH+]c[nH]1 ZINC001510989116 894139409 /nfs/dbraw/zinc/13/94/09/894139409.db2.gz XIWNYFILIUSQGN-SNVBAGLBSA-N 1 2 284.316 -1.418 20 0 CAADLO COCCC(=O)N[C@@H](CO)CNC(=O)Cc1c[nH+]cn1C ZINC001511024876 894139513 /nfs/dbraw/zinc/13/95/13/894139513.db2.gz LZWRDBZDFJJJNN-SNVBAGLBSA-N 1 2 298.343 -1.408 20 0 CAADLO NC(=O)C(=O)N[C@H](CO)CNC(=O)Cn1cc[nH+]c1 ZINC001510996404 894140086 /nfs/dbraw/zinc/14/00/86/894140086.db2.gz GUHZVGJJKGITQB-ZETCQYMHSA-N 1 2 269.261 -3.038 20 0 CAADLO COCC(=O)N[C@H](CO)CNC(=O)CCc1c[nH]c[nH+]1 ZINC001510989111 894141076 /nfs/dbraw/zinc/14/10/76/894141076.db2.gz XIWNYFILIUSQGN-JTQLQIEISA-N 1 2 284.316 -1.418 20 0 CAADLO COCC(=O)N[C@H](CO)CNC(=O)CCc1c[nH+]c[nH]1 ZINC001510989111 894141089 /nfs/dbraw/zinc/14/10/89/894141089.db2.gz XIWNYFILIUSQGN-JTQLQIEISA-N 1 2 284.316 -1.418 20 0 CAADLO O=C(Cc1c[nH]c[nH+]1)NC[C@@H](CO)NC(=O)C1CC1 ZINC001511134725 894151949 /nfs/dbraw/zinc/15/19/49/894151949.db2.gz UREXGHGERIFQQI-JTQLQIEISA-N 1 2 266.301 -1.045 20 0 CAADLO CNC(=O)CC(=O)N[C@H](CO)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001511131464 894152475 /nfs/dbraw/zinc/15/24/75/894152475.db2.gz DBTHZNRUVNLRKL-VIFPVBQESA-N 1 2 297.315 -2.318 20 0 CAADLO NC(=O)C(=O)N[C@@H]1CC[C@@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001511434786 894155114 /nfs/dbraw/zinc/15/51/14/894155114.db2.gz AFGNWSGGRIRCJH-RKDXNWHRSA-N 1 2 293.327 -1.161 20 0 CAADLO NC(=O)C(=O)N[C@H]1CC[C@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001511434773 894155524 /nfs/dbraw/zinc/15/55/24/894155524.db2.gz AFGNWSGGRIRCJH-IUCAKERBSA-N 1 2 293.327 -1.161 20 0 CAADLO CCOCC(=O)NC[C@@H](O)CN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001511631571 894165256 /nfs/dbraw/zinc/16/52/56/894165256.db2.gz BVIQNPDBNPPANH-LLVKDONJSA-N 1 2 298.343 -1.076 20 0 CAADLO COCC(=O)N[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@@H]1O ZINC001513438222 894176897 /nfs/dbraw/zinc/17/68/97/894176897.db2.gz QUNQGCDTCUNTTN-ZJUUUORDSA-N 1 2 296.327 -1.323 20 0 CAADLO CCOCC(=O)N1C[C@@H](NC(=O)Cc2[nH]cc[nH+]2)[C@@H](O)C1 ZINC001513622062 894179581 /nfs/dbraw/zinc/17/95/81/894179581.db2.gz VPHZFNCTDTVEEF-ZJUUUORDSA-N 1 2 296.327 -1.323 20 0 CAADLO Cn1cc[nH+]c1CCNC(=O)CN1CC(=O)N(C)C1=O ZINC001520632643 894195144 /nfs/dbraw/zinc/19/51/44/894195144.db2.gz NSGPDROICUUXDB-UHFFFAOYSA-N 1 2 279.300 -1.027 20 0 CAADLO C[C@H]1CN2CC[N@@H+]1C[C@H]2C(=O)NCc1nn[nH]n1 ZINC001520982013 894198816 /nfs/dbraw/zinc/19/88/16/894198816.db2.gz ONMCHIBEVVSZLK-YUMQZZPRSA-N 1 2 251.294 -1.796 20 0 CAADLO C[C@H]1CN2CC[N@H+]1C[C@H]2C(=O)NCc1nn[nH]n1 ZINC001520982013 894198820 /nfs/dbraw/zinc/19/88/20/894198820.db2.gz ONMCHIBEVVSZLK-YUMQZZPRSA-N 1 2 251.294 -1.796 20 0 CAADLO C[C@H](O)C(C)(C)CNC(=O)CN1CC[NH2+]CC1=O ZINC001523686132 894269383 /nfs/dbraw/zinc/26/93/83/894269383.db2.gz XFTUGTDFGKWNLB-VIFPVBQESA-N 1 2 257.334 -1.059 20 0 CAADLO COC[C@@H](C(N)=O)N(C)C(=O)C[C@@H]([NH3+])C(F)F ZINC001522429939 894218113 /nfs/dbraw/zinc/21/81/13/894218113.db2.gz CEVLWHRZHQQPDX-RITPCOANSA-N 1 2 253.249 -1.072 20 0 CAADLO O=C(CCn1cc[nH+]c1)NCCNC(=O)[C@H]1COCCO1 ZINC001522523248 894226945 /nfs/dbraw/zinc/22/69/45/894226945.db2.gz DDVVGTCHTQFGGK-LLVKDONJSA-N 1 2 296.327 -1.079 20 0 CAADLO CC[C@H](C(=O)NCCNC(=O)CS(C)(=O)=O)[NH+](C)C ZINC001522539895 894230099 /nfs/dbraw/zinc/23/00/99/894230099.db2.gz CDBOIPSOTIECNB-SECBINFHSA-N 1 2 293.389 -1.396 20 0 CAADLO C[C@@H](CC(N)=O)C(=O)NCCNC(=O)Cc1c[nH]c[nH+]1 ZINC001522784072 894250239 /nfs/dbraw/zinc/25/02/39/894250239.db2.gz CVLBGWPHYOXGQB-QMMMGPOBSA-N 1 2 281.316 -1.304 20 0 CAADLO Cn1cc[nH+]c1CCC(=O)NCCCNC(=O)CC(N)=O ZINC001522863105 894254605 /nfs/dbraw/zinc/25/46/05/894254605.db2.gz FUHCOWORZJYWAC-UHFFFAOYSA-N 1 2 295.343 -1.149 20 0 CAADLO O=C(Cc1[nH]cc[nH+]1)NCCCNC(=O)Cn1ncnn1 ZINC001522918993 894259768 /nfs/dbraw/zinc/25/97/68/894259768.db2.gz DCVHFZFPHPTQHE-UHFFFAOYSA-N 1 2 292.303 -1.739 20 0 CAADLO O=C(CN1CC[NH2+]CC1=O)NCC[C@H](O)C1CC1 ZINC001523543129 894269697 /nfs/dbraw/zinc/26/96/97/894269697.db2.gz CGKMSWHFKMTTLG-JTQLQIEISA-N 1 2 255.318 -1.305 20 0 CAADLO Cn1cc[nH+]c1CCC(=O)N[C@H]1CCN(C(=O)C(N)=O)C1 ZINC001524217991 894279547 /nfs/dbraw/zinc/27/95/47/894279547.db2.gz PWXUSZCDSLYKPT-VIFPVBQESA-N 1 2 293.327 -1.445 20 0 CAADLO CC(=O)NCC(=O)N[C@H]1C[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001524842924 894285648 /nfs/dbraw/zinc/28/56/48/894285648.db2.gz ZFDZJULJUIXJNL-XYPYZODXSA-N 1 2 293.327 -1.217 20 0 CAADLO C[C@@H](CNC(=O)[C@H]1COCCO1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001526405682 894295734 /nfs/dbraw/zinc/29/57/34/894295734.db2.gz BULVPCXBENDENI-GXSJLCMTSA-N 1 2 296.327 -1.012 20 0 CAADLO C[C@H](CNC(=O)[C@@H]1CCn2c[nH+]cc2C1)NC(=O)C(N)=O ZINC001526710108 894302281 /nfs/dbraw/zinc/30/22/81/894302281.db2.gz QRQZKXBSRJLXDC-RKDXNWHRSA-N 1 2 293.327 -1.448 20 0 CAADLO C[C@H](CNC(=O)Cc1c[nH]c[nH+]1)NC(=O)C(N)=O ZINC001527051271 894309685 /nfs/dbraw/zinc/30/96/85/894309685.db2.gz VMNPDLLWTDHXRK-ZCFIWIBFSA-N 1 2 253.262 -1.942 20 0 CAADLO CN(CCNC(=O)CC(N)=O)C(=O)CCc1[nH]cc[nH+]1 ZINC001527998308 894321439 /nfs/dbraw/zinc/32/14/39/894321439.db2.gz HBXCFOCUQXJGEX-UHFFFAOYSA-N 1 2 281.316 -1.208 20 0 CAADLO C[C@H](CC(=O)NCCN(C)C(=O)C(N)=O)n1cc[nH+]c1 ZINC001528148834 894325078 /nfs/dbraw/zinc/32/50/78/894325078.db2.gz PEGLDHZFVCPRAU-SECBINFHSA-N 1 2 281.316 -1.106 20 0 CAADLO CC(=O)NCC(=O)N(C)CCNC(=O)Cn1cc[nH+]c1 ZINC001528350794 894326600 /nfs/dbraw/zinc/32/66/00/894326600.db2.gz NLOMSEMXTNOLGT-UHFFFAOYSA-N 1 2 281.316 -1.406 20 0 CAADLO CN(CCNC(=O)[C@@H]1CCc2c[nH+]cn2C1)C(=O)C(N)=O ZINC001528326511 894329309 /nfs/dbraw/zinc/32/93/09/894329309.db2.gz MUJUDZMPFCUZLR-SECBINFHSA-N 1 2 293.327 -1.495 20 0 CAADLO CC(=O)NCC(=O)N(C)CCNC(=O)Cc1[nH]cc[nH+]1 ZINC001528568050 894331438 /nfs/dbraw/zinc/33/14/38/894331438.db2.gz WRFHZLRKCXARHS-UHFFFAOYSA-N 1 2 281.316 -1.337 20 0 CAADLO CN(CCNC(=O)Cc1[nH]cc[nH+]1)C(=O)c1cnnn1C ZINC001528568369 894332530 /nfs/dbraw/zinc/33/25/30/894332530.db2.gz YFHXJKXOEQZRBY-UHFFFAOYSA-N 1 2 291.315 -1.031 20 0 CAADLO CN(CCNC(=O)Cc1[nH]cc[nH+]1)C(=O)Cn1cnnn1 ZINC001528567225 894333547 /nfs/dbraw/zinc/33/35/47/894333547.db2.gz RFTVJVJCGIARIX-UHFFFAOYSA-N 1 2 292.303 -1.787 20 0 CAADLO CN(CCNC(=O)C(N)=O)C(=O)Cc1[nH]cc[nH+]1 ZINC001528595141 894336623 /nfs/dbraw/zinc/33/66/23/894336623.db2.gz QZAUMPSUXZOOCX-UHFFFAOYSA-N 1 2 253.262 -1.988 20 0 CAADLO CNC(=O)CC(=O)N(C)CCNC(=O)Cc1c[nH]c[nH+]1 ZINC001528711353 894340284 /nfs/dbraw/zinc/34/02/84/894340284.db2.gz FDQUEHUBGSMZBA-UHFFFAOYSA-N 1 2 281.316 -1.337 20 0 CAADLO CC[C@H](C[NH+]1CCOCC1)NC(=O)Cn1ncnn1 ZINC001529018261 894344585 /nfs/dbraw/zinc/34/45/85/894344585.db2.gz NNFIPXLYIZIUNN-SNVBAGLBSA-N 1 2 268.321 -1.100 20 0 CAADLO NC(=O)CC(=O)NC1CN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001530387137 894357556 /nfs/dbraw/zinc/35/75/56/894357556.db2.gz JQEOACFHCJDNHW-UHFFFAOYSA-N 1 2 293.327 -1.134 20 0 CAADLO NC(=O)CC(=O)NC1CN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001530386907 894357921 /nfs/dbraw/zinc/35/79/21/894357921.db2.gz HRXIHVIINBVVIB-UHFFFAOYSA-N 1 2 279.300 -1.455 20 0 CAADLO NC(=O)CC(=O)NC1CN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001530386907 894357938 /nfs/dbraw/zinc/35/79/38/894357938.db2.gz HRXIHVIINBVVIB-UHFFFAOYSA-N 1 2 279.300 -1.455 20 0 CAADLO C[C@@H](CC(=O)NC1CN(C(=O)C(N)=O)C1)n1cc[nH+]c1 ZINC001530444052 894358951 /nfs/dbraw/zinc/35/89/51/894358951.db2.gz AGDQXPCTTFSUQG-QMMMGPOBSA-N 1 2 279.300 -1.354 20 0 CAADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC1CN(C(=O)CC(N)=O)C1 ZINC001530466587 894360902 /nfs/dbraw/zinc/36/09/02/894360902.db2.gz PZPQJUABQNEWIC-MRVPVSSYSA-N 1 2 293.327 -1.209 20 0 CAADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC1CN(C(=O)CC(N)=O)C1 ZINC001530466587 894360917 /nfs/dbraw/zinc/36/09/17/894360917.db2.gz PZPQJUABQNEWIC-MRVPVSSYSA-N 1 2 293.327 -1.209 20 0 CAADLO C[C@H](CC(N)=O)C(=O)NC1CN(C(=O)Cn2cc[nH+]c2)C1 ZINC001530571776 894363853 /nfs/dbraw/zinc/36/38/53/894363853.db2.gz CWAMFAJFUCGWJV-SECBINFHSA-N 1 2 293.327 -1.278 20 0 CAADLO COC[C@@H](OC)C(=O)NC1CN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001530636025 894366640 /nfs/dbraw/zinc/36/66/40/894366640.db2.gz OZPCYZZVFIUECC-SNVBAGLBSA-N 1 2 296.327 -1.059 20 0 CAADLO CC(=O)N[C@@H](C)C(=O)N1CC(NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001530671434 894366679 /nfs/dbraw/zinc/36/66/79/894366679.db2.gz SJPRHDLDGBTBOH-QMMMGPOBSA-N 1 2 293.327 -1.196 20 0 CAADLO C[C@H](CC(=O)N1CC(CNC(=O)C(N)=O)C1)n1cc[nH+]c1 ZINC001530882451 894372541 /nfs/dbraw/zinc/37/25/41/894372541.db2.gz RZCCOUZWQLTLLL-SECBINFHSA-N 1 2 293.327 -1.106 20 0 CAADLO Cn1cc[nH+]c1CCC(=O)N1CC(CNC(=O)C(N)=O)C1 ZINC001530881205 894374865 /nfs/dbraw/zinc/37/48/65/894374865.db2.gz FZMGHFWBZJZFCL-UHFFFAOYSA-N 1 2 293.327 -1.587 20 0 CAADLO CC[C@@H](CNC(=O)CC(N)=O)NC(=O)Cn1cc[nH+]c1 ZINC001531118566 894377850 /nfs/dbraw/zinc/37/78/50/894377850.db2.gz UVBNGQULPUAYLL-VIFPVBQESA-N 1 2 281.316 -1.231 20 0 CAADLO C[C@](CNC(=O)Cn1cc[nH+]c1)(NC(=O)C(N)=O)C1CC1 ZINC001531766491 894380550 /nfs/dbraw/zinc/38/05/50/894380550.db2.gz KKXFWJWTGCHDTG-CYBMUJFWSA-N 1 2 293.327 -1.231 20 0 CAADLO C[C@@](CNC(=O)C(N)=O)(NC(=O)Cc1c[nH]c[nH+]1)C1CC1 ZINC001531777822 894382142 /nfs/dbraw/zinc/38/21/42/894382142.db2.gz FECSPOYTJCWTKJ-ZDUSSCGKSA-N 1 2 293.327 -1.161 20 0 CAADLO C[C@@](CNC(=O)Cn1cc[nH+]c1)(NC(=O)C(N)=O)C1CC1 ZINC001531766493 894382356 /nfs/dbraw/zinc/38/23/56/894382356.db2.gz KKXFWJWTGCHDTG-ZDUSSCGKSA-N 1 2 293.327 -1.231 20 0 CAADLO CC(=O)NC[C@H](O)CNC(=O)CCc1c[nH+]cn1C ZINC001533137790 894393306 /nfs/dbraw/zinc/39/33/06/894393306.db2.gz HFBHLQUHXRQNNF-NSHDSACASA-N 1 2 268.317 -1.034 20 0 CAADLO CC(=O)NC[C@H](O)CNC(=O)CCn1cc[nH+]c1 ZINC001533140076 894395472 /nfs/dbraw/zinc/39/54/72/894395472.db2.gz HQSDIVGZFVAHBI-JTQLQIEISA-N 1 2 254.290 -1.114 20 0 CAADLO NC(=O)N[C@@H](CO)C(=O)NCCCn1cc[nH+]c1 ZINC001538656284 894451617 /nfs/dbraw/zinc/45/16/17/894451617.db2.gz NQECOYLSFJXKTC-QMMMGPOBSA-N 1 2 255.278 -1.581 20 0 CAADLO NC(=O)C(NC(=O)/C=C/C[NH+]1CCOCC1)C(N)=O ZINC001540569374 894455826 /nfs/dbraw/zinc/45/58/26/894455826.db2.gz NINGFOWUZAXSLA-OWOJBTEDSA-N 1 2 270.289 -2.670 20 0 CAADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC(C(N)=O)C(N)=O ZINC001540647471 894457123 /nfs/dbraw/zinc/45/71/23/894457123.db2.gz XQRHFUYGESHQAE-PHDIDXHHSA-N 1 2 265.273 -2.021 20 0 CAADLO Cn1c[nH+]cc1CC(=O)N(CC(N)=O)CC(N)=O ZINC001542862616 894463208 /nfs/dbraw/zinc/46/32/08/894463208.db2.gz XBHKMZJLJZGDPX-UHFFFAOYSA-N 1 2 253.262 -2.238 20 0 CAADLO O=C(C[C@@H]1NC(=O)NC1=O)N1CC(n2cc[nH+]c2)C1 ZINC001543797429 894469751 /nfs/dbraw/zinc/46/97/51/894469751.db2.gz RRDVUCVBNAIPKN-QMMMGPOBSA-N 1 2 263.257 -1.136 20 0 CAADLO NC(=O)c1ncn(CC(=O)NCCc2[nH]cc[nH+]2)n1 ZINC001543788567 894470425 /nfs/dbraw/zinc/47/04/25/894470425.db2.gz JPJWVQGSUIFEON-UHFFFAOYSA-N 1 2 263.261 -1.541 20 0 CAADLO CC(=O)N[C@@H](CC(=O)NCCc1[nH]cc[nH+]1)C(N)=O ZINC001543790302 894470795 /nfs/dbraw/zinc/47/07/95/894470795.db2.gz VXMGWNISANNZBX-QMMMGPOBSA-N 1 2 267.289 -1.552 20 0 CAADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC(=O)NCCO ZINC001545512641 894479106 /nfs/dbraw/zinc/47/91/06/894479106.db2.gz LNPBEWZTSYXMRC-RKDXNWHRSA-N 1 2 266.301 -1.252 20 0 CAADLO O=C(NCc1n[nH]c(=O)[nH]1)C1C[NH+]([C@H]2CCOC2)C1 ZINC001545329342 894479490 /nfs/dbraw/zinc/47/94/90/894479490.db2.gz GBJQGNIRCPSCHM-QMMMGPOBSA-N 1 2 267.289 -1.153 20 0 CAADLO C[C@@H](CNC(=O)Cc1c[nH+]cn1C)S(N)(=O)=O ZINC001545867020 894481878 /nfs/dbraw/zinc/48/18/78/894481878.db2.gz RLEYJMFSPBWETM-ZETCQYMHSA-N 1 2 260.319 -1.244 20 0 CAADLO C/C=C/[C@@H](O)C(=O)N1CCO[C@@H](C[N@H+](C)CC(N)=O)C1 ZINC001548437446 894486173 /nfs/dbraw/zinc/48/61/73/894486173.db2.gz PFRJTSWDCBVYKR-MJKAUQOVSA-N 1 2 285.344 -1.432 20 0 CAADLO C/C=C/[C@@H](O)C(=O)N1CCO[C@@H](C[N@@H+](C)CC(N)=O)C1 ZINC001548437446 894486177 /nfs/dbraw/zinc/48/61/77/894486177.db2.gz PFRJTSWDCBVYKR-MJKAUQOVSA-N 1 2 285.344 -1.432 20 0 CAADLO C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N1CCS(=O)CC1 ZINC001548642170 894489223 /nfs/dbraw/zinc/48/92/23/894489223.db2.gz VJSPMXQASXJGTA-GHMZBOCLSA-N 1 2 271.386 -1.034 20 0 CAADLO C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N1CCS(=O)CC1 ZINC001548642170 894489232 /nfs/dbraw/zinc/48/92/32/894489232.db2.gz VJSPMXQASXJGTA-GHMZBOCLSA-N 1 2 271.386 -1.034 20 0 CAADLO COCCN1C(=O)N[C@@H]2C[N@H+]([C@H]3CC(=O)NC3=O)CC[C@@H]21 ZINC001549134365 894509898 /nfs/dbraw/zinc/50/98/98/894509898.db2.gz PHUXIGRGAVEJNL-UTLUCORTSA-N 1 2 296.327 -1.484 20 0 CAADLO COCCN1C(=O)N[C@@H]2C[N@@H+]([C@H]3CC(=O)NC3=O)CC[C@@H]21 ZINC001549134365 894509905 /nfs/dbraw/zinc/50/99/05/894509905.db2.gz PHUXIGRGAVEJNL-UTLUCORTSA-N 1 2 296.327 -1.484 20 0 CAADLO CCNC(=O)C[N@@H+]1C[C@@H](O)[C@@H](Oc2cnn(C)c2)C1 ZINC001549597441 894517450 /nfs/dbraw/zinc/51/74/50/894517450.db2.gz OAFOYKDSDKZIDO-MNOVXSKESA-N 1 2 268.317 -1.020 20 0 CAADLO CCNC(=O)C[N@H+]1C[C@@H](O)[C@@H](Oc2cnn(C)c2)C1 ZINC001549597441 894517458 /nfs/dbraw/zinc/51/74/58/894517458.db2.gz OAFOYKDSDKZIDO-MNOVXSKESA-N 1 2 268.317 -1.020 20 0 CAADLO CNC(=O)C[N@H+]1C[C@@H](Oc2cnn(C)c2)[C@@H](O)C1 ZINC001549595897 894517799 /nfs/dbraw/zinc/51/77/99/894517799.db2.gz HEWSIHHERVLUGA-VHSXEESVSA-N 1 2 254.290 -1.410 20 0 CAADLO CNC(=O)C[N@@H+]1C[C@@H](Oc2cnn(C)c2)[C@@H](O)C1 ZINC001549595897 894517815 /nfs/dbraw/zinc/51/78/15/894517815.db2.gz HEWSIHHERVLUGA-VHSXEESVSA-N 1 2 254.290 -1.410 20 0 CAADLO CN(C)C(=O)C[N@@H+]1C[C@H](O)[C@@H](Oc2cnn(C)c2)C1 ZINC001549596430 894518312 /nfs/dbraw/zinc/51/83/12/894518312.db2.gz JOFNSIHLNKNNCQ-QWRGUYRKSA-N 1 2 268.317 -1.068 20 0 CAADLO CN(C)C(=O)C[N@H+]1C[C@H](O)[C@@H](Oc2cnn(C)c2)C1 ZINC001549596430 894518321 /nfs/dbraw/zinc/51/83/21/894518321.db2.gz JOFNSIHLNKNNCQ-QWRGUYRKSA-N 1 2 268.317 -1.068 20 0 CAADLO C[C@H](C(=O)NC(N)=O)[N@H+]1C[C@@H](Oc2cnn(C)c2)[C@@H](O)C1 ZINC001549598238 894518449 /nfs/dbraw/zinc/51/84/49/894518449.db2.gz TXJFOCWAXPSUHE-FKTZTGRPSA-N 1 2 297.315 -1.573 20 0 CAADLO C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H](Oc2cnn(C)c2)[C@@H](O)C1 ZINC001549598238 894518461 /nfs/dbraw/zinc/51/84/61/894518461.db2.gz TXJFOCWAXPSUHE-FKTZTGRPSA-N 1 2 297.315 -1.573 20 0 CAADLO Cn1cc(O[C@@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@@H]2O)cn1 ZINC001549595093 894519012 /nfs/dbraw/zinc/51/90/12/894519012.db2.gz FYWIDLZCHGKQCR-GARJFASQSA-N 1 2 266.301 -1.268 20 0 CAADLO Cn1cc(O[C@@H]2C[N@H+]([C@H]3CCNC3=O)C[C@@H]2O)cn1 ZINC001549595093 894519021 /nfs/dbraw/zinc/51/90/21/894519021.db2.gz FYWIDLZCHGKQCR-GARJFASQSA-N 1 2 266.301 -1.268 20 0 CAADLO CN(C)C(=O)C[N@@H+]1C[C@@H](O)[C@@H](Oc2cnn(C)c2)C1 ZINC001549596429 894519703 /nfs/dbraw/zinc/51/97/03/894519703.db2.gz JOFNSIHLNKNNCQ-MNOVXSKESA-N 1 2 268.317 -1.068 20 0 CAADLO CN(C)C(=O)C[N@H+]1C[C@@H](O)[C@@H](Oc2cnn(C)c2)C1 ZINC001549596429 894519709 /nfs/dbraw/zinc/51/97/09/894519709.db2.gz JOFNSIHLNKNNCQ-MNOVXSKESA-N 1 2 268.317 -1.068 20 0 CAADLO O=C([C@@H]1CNC(=O)C1)N1CCO[C@H](C[NH+]2CCOCC2)C1 ZINC001549865476 894522503 /nfs/dbraw/zinc/52/25/03/894522503.db2.gz OTTCSBNEDKSREI-NWDGAFQWSA-N 1 2 297.355 -1.318 20 0 CAADLO C[NH+](C)[C@H]1CN(C(=O)Cc2ncn[nH]2)C[C@@H]1n1ccnn1 ZINC001549845117 894523241 /nfs/dbraw/zinc/52/32/41/894523241.db2.gz BRLBMXVFPQSUHC-UWVGGRQHSA-N 1 2 290.331 -1.048 20 0 CAADLO O=C(Cc1ncn[nH]1)N1CC[C@H]2OCC[NH2+][C@H]2C1 ZINC001550061302 894524657 /nfs/dbraw/zinc/52/46/57/894524657.db2.gz YTJNSQCKUSCEMH-DTWKUNHWSA-N 1 2 251.290 -1.064 20 0 CAADLO CN1C(=O)NC[C@@H]1C(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)C1 ZINC001550006139 894525277 /nfs/dbraw/zinc/52/52/77/894525277.db2.gz UZXYXHQTDXCKET-VXGBXAGGSA-N 1 2 295.387 -1.142 20 0 CAADLO NC(=O)[C@@H]1C[C@H]1C(=O)NCC[N@@H+]1CCC2(C1)OCCO2 ZINC001550401111 894531622 /nfs/dbraw/zinc/53/16/22/894531622.db2.gz FILOCWYRQTWTGX-NXEZZACHSA-N 1 2 283.328 -1.327 20 0 CAADLO NC(=O)[C@@H]1C[C@H]1C(=O)NCC[N@H+]1CCC2(C1)OCCO2 ZINC001550401111 894531629 /nfs/dbraw/zinc/53/16/29/894531629.db2.gz FILOCWYRQTWTGX-NXEZZACHSA-N 1 2 283.328 -1.327 20 0 CAADLO CNC(=O)[C@]12C[N@H+](Cn3ncn(C)c3=O)C[C@@H]1COCC2 ZINC001551406285 894536767 /nfs/dbraw/zinc/53/67/67/894536767.db2.gz CBLSDZMHPYKGDJ-ZWNOBZJWSA-N 1 2 295.343 -1.376 20 0 CAADLO CNC(=O)[C@]12C[N@@H+](Cn3ncn(C)c3=O)C[C@@H]1COCC2 ZINC001551406285 894536780 /nfs/dbraw/zinc/53/67/80/894536780.db2.gz CBLSDZMHPYKGDJ-ZWNOBZJWSA-N 1 2 295.343 -1.376 20 0 CAADLO O=C(NC1=NCC(=O)N1)[C@@H]1CC[C@@H](C[NH+]2CCOCC2)O1 ZINC001553191708 894559691 /nfs/dbraw/zinc/55/96/91/894559691.db2.gz ALSFLFOERIGQKH-UWVGGRQHSA-N 1 2 296.327 -1.532 20 0 CAADLO CN1CC[C@]2(C(=O)Nc3nn[nH]n3)C[NH2+]C[C@@H]2C1 ZINC001553365958 894560562 /nfs/dbraw/zinc/56/05/62/894560562.db2.gz NUGDAYSGSFOPOR-XCBNKYQSSA-N 1 2 251.294 -1.321 20 0 CAADLO C[C@H](NC(=O)[C@@H]1CC[C@@H](C[NH+]2CCOCC2)O1)C(N)=O ZINC001553092199 894560719 /nfs/dbraw/zinc/56/07/19/894560719.db2.gz HDIAVELZUCDOSM-DCAQKATOSA-N 1 2 285.344 -1.144 20 0 CAADLO C[C@H](NC(=O)[C@H]1CC[C@H](C[NH+]2CCOCC2)O1)C(N)=O ZINC001553092203 894561676 /nfs/dbraw/zinc/56/16/76/894561676.db2.gz HDIAVELZUCDOSM-HBNTYKKESA-N 1 2 285.344 -1.144 20 0 CAADLO CNC(=O)CNC(=O)[C@H]1CC[C@@H](C[NH+]2CCOCC2)O1 ZINC001553063826 894562013 /nfs/dbraw/zinc/56/20/13/894562013.db2.gz XVRRDPVVDYCEDF-WDEREUQCSA-N 1 2 285.344 -1.272 20 0 CAADLO O=C(N[C@@H]1CNC(=O)C1)[C@H]1CC[C@@H](C[NH+]2CCOCC2)O1 ZINC001553131992 894562065 /nfs/dbraw/zinc/56/20/65/894562065.db2.gz GSFDBDYYEXYRBF-SDDRHHMPSA-N 1 2 297.355 -1.129 20 0 CAADLO NC(=O)[C@@H]1CCN1C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001553638055 894568206 /nfs/dbraw/zinc/56/82/06/894568206.db2.gz ISRDDEYREFNDMP-WOPDTQHZSA-N 1 2 297.355 -1.048 20 0 CAADLO O=C([C@H]1CC[C@H](C[NH+]2CCOCC2)O1)N1CNC(=O)C1 ZINC001553642146 894568771 /nfs/dbraw/zinc/56/87/71/894568771.db2.gz KHVDGPJJYTVFRK-GHMZBOCLSA-N 1 2 283.328 -1.218 20 0 CAADLO O=C([C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)N1CNC(=O)C1 ZINC001553642147 894569471 /nfs/dbraw/zinc/56/94/71/894569471.db2.gz KHVDGPJJYTVFRK-MNOVXSKESA-N 1 2 283.328 -1.218 20 0 CAADLO NC(=O)N[C@@H](CO)C(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC001557151513 894595674 /nfs/dbraw/zinc/59/56/74/894595674.db2.gz QZDSJEGNNCSJKI-APPZFPTMSA-N 1 2 267.289 -1.657 20 0 CAADLO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)CCc1nn[nH]n1 ZINC001557547101 894598252 /nfs/dbraw/zinc/59/82/52/894598252.db2.gz UBUQAGGLTKOUPU-VIFPVBQESA-N 1 2 295.347 -1.412 20 0 CAADLO NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)CCc1nn[nH]n1 ZINC001557547101 894598262 /nfs/dbraw/zinc/59/82/62/894598262.db2.gz UBUQAGGLTKOUPU-VIFPVBQESA-N 1 2 295.347 -1.412 20 0 CAADLO Cn1c[nH+]cc1CCC(=O)N1C[C@H](O)C[C@H]1C(N)=O ZINC001557503268 894599920 /nfs/dbraw/zinc/59/99/20/894599920.db2.gz SGPMESTXMMRILW-ZJUUUORDSA-N 1 2 266.301 -1.200 20 0 CAADLO O=C(CN1C(=O)CNC1=O)N[C@H]1CCn2c[nH+]cc21 ZINC001557690296 894604313 /nfs/dbraw/zinc/60/43/13/894604313.db2.gz ZSZQJQZVSKLDHD-ZETCQYMHSA-N 1 2 263.257 -1.004 20 0 CAADLO Cn1c[nH+]cc1[C@H](CO)NC(=O)[C@]1(O)CCOC1 ZINC001557695420 894604461 /nfs/dbraw/zinc/60/44/61/894604461.db2.gz TVIBOPGYIDFVJV-KWQFWETISA-N 1 2 255.274 -1.279 20 0 CAADLO Cn1c[nH+]cc1[C@@H](CO)NC(=O)[C@@]1(O)CCOC1 ZINC001557695421 894604784 /nfs/dbraw/zinc/60/47/84/894604784.db2.gz TVIBOPGYIDFVJV-LDYMZIIASA-N 1 2 255.274 -1.279 20 0 CAADLO O=C(Cn1cnnn1)N1CC[NH2+][C@@H](c2cn[nH]c2)C1 ZINC001557832338 894609174 /nfs/dbraw/zinc/60/91/74/894609174.db2.gz QMDLPLKKZNTHBS-SECBINFHSA-N 1 2 262.277 -1.431 20 0 CAADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@]1(C)CCNC1=O ZINC001558163878 894616186 /nfs/dbraw/zinc/61/61/86/894616186.db2.gz KWBCAHKFESBMRP-TVQRCGJNSA-N 1 2 293.327 -1.291 20 0 CAADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@]1(C)CCNC1=O ZINC001558163878 894616188 /nfs/dbraw/zinc/61/61/88/894616188.db2.gz KWBCAHKFESBMRP-TVQRCGJNSA-N 1 2 293.327 -1.291 20 0 CAADLO O=C([O-])C[NH2+]Cc1cn(CC[NH+]2CCOCC2)nn1 ZINC001595102875 951867360 /nfs/dbraw/zinc/86/73/60/951867360.db2.gz ZKTIGLNEQPJJAH-UHFFFAOYSA-N 1 2 269.305 -1.216 20 0 CAADLO Cn1ncc(C(=O)[O-])c1C[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC001593780817 954657194 /nfs/dbraw/zinc/65/71/94/954657194.db2.gz GNPHDFRIFGODDP-UHFFFAOYSA-N 1 2 295.343 -1.018 20 0 CAADLO C[NH+]1CCN(C(=O)C[NH2+]C2(C(=O)[O-])CCOCC2)CC1 ZINC001593781117 954663386 /nfs/dbraw/zinc/66/33/86/954663386.db2.gz OOPCBRHKLYYERL-UHFFFAOYSA-N 1 2 285.344 -1.016 20 0 CAADLO C[C@H](C[NH+]1CCOCC1)NC(=O)[C@@H]([NH3+])CC(=O)[O-] ZINC000085812640 957910484 /nfs/dbraw/zinc/91/04/84/957910484.db2.gz UVYABIDNAFIKKP-BDAKNGLRSA-N 1 2 259.306 -1.375 20 0 CAADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@@H]([NH3+])CC(=O)[O-] ZINC000085812637 957910844 /nfs/dbraw/zinc/91/08/44/957910844.db2.gz UVYABIDNAFIKKP-IUCAKERBSA-N 1 2 259.306 -1.375 20 0 CAADLO C[NH+]1CCN(C(=O)C[N@@H+]2C[C@H](O)C[C@H](C(=O)[O-])C2)CC1 ZINC000401900167 973505387 /nfs/dbraw/zinc/50/53/87/973505387.db2.gz DYJNWERESNQLIU-WDEREUQCSA-N 1 2 285.344 -1.472 20 0 CAADLO C[NH+]1CCN(C(=O)C[N@H+]2C[C@H](O)C[C@H](C(=O)[O-])C2)CC1 ZINC000401900167 973505397 /nfs/dbraw/zinc/50/53/97/973505397.db2.gz DYJNWERESNQLIU-WDEREUQCSA-N 1 2 285.344 -1.472 20 0 CAADLO C[NH+]1CCN(C(=O)C[N@H+]2C[C@H](C(=O)[O-])C[C@H](O)C2)CC1 ZINC000401900162 973506059 /nfs/dbraw/zinc/50/60/59/973506059.db2.gz DYJNWERESNQLIU-MNOVXSKESA-N 1 2 285.344 -1.472 20 0 CAADLO C[NH+]1CCN(C(=O)C[N@@H+]2C[C@H](C(=O)[O-])C[C@H](O)C2)CC1 ZINC000401900162 973506070 /nfs/dbraw/zinc/50/60/70/973506070.db2.gz DYJNWERESNQLIU-MNOVXSKESA-N 1 2 285.344 -1.472 20 0 CAADLO COCC[N@H+](C)C[C@H](O)C[NH2+][C@@]1(C(=O)[O-])CCOC1 ZINC001604584422 973676791 /nfs/dbraw/zinc/67/67/91/973676791.db2.gz QAFVANHRKCHMDY-PWSUYJOCSA-N 1 2 276.333 -1.241 20 0 CAADLO COCC[N@@H+](C)C[C@H](O)C[NH2+][C@@]1(C(=O)[O-])CCOC1 ZINC001604584422 973676797 /nfs/dbraw/zinc/67/67/97/973676797.db2.gz QAFVANHRKCHMDY-PWSUYJOCSA-N 1 2 276.333 -1.241 20 0 CAADLO O=C([O-])CS(=O)(=O)CC[NH2+][C@H]1Cc2c[nH+]cn2C1 ZINC001606297516 973705651 /nfs/dbraw/zinc/70/56/51/973705651.db2.gz UYTKHNYBJWOLIA-QMMMGPOBSA-N 1 2 273.314 -1.103 20 0 CAADLO C[N@@H+]1CCO[C@H](C(=O)N2CC[NH+](C)C[C@H](C(=O)[O-])C2)C1 ZINC001598604956 993631214 /nfs/dbraw/zinc/63/12/14/993631214.db2.gz BUMUVSIJVADHOW-QWRGUYRKSA-N 1 2 285.344 -1.208 20 0 CAADLO C[N@H+]1CCO[C@H](C(=O)N2CC[NH+](C)C[C@H](C(=O)[O-])C2)C1 ZINC001598604956 993631221 /nfs/dbraw/zinc/63/12/21/993631221.db2.gz BUMUVSIJVADHOW-QWRGUYRKSA-N 1 2 285.344 -1.208 20 0 CAADLO C[NH+]1CCO[C@H](C(=O)N2CC[N@H+](C)C[C@H](C(=O)[O-])C2)C1 ZINC001598604956 993631228 /nfs/dbraw/zinc/63/12/28/993631228.db2.gz BUMUVSIJVADHOW-QWRGUYRKSA-N 1 2 285.344 -1.208 20 0 CAADLO C[NH+]1CCO[C@H](C(=O)N2CC[N@@H+](C)C[C@H](C(=O)[O-])C2)C1 ZINC001598604956 993631234 /nfs/dbraw/zinc/63/12/34/993631234.db2.gz BUMUVSIJVADHOW-QWRGUYRKSA-N 1 2 285.344 -1.208 20 0 CAADLO C[N@H+](CC(=O)N1CC[NH+](C)CC1)C[C@@](C)(O)C(=O)[O-] ZINC001598605069 993634413 /nfs/dbraw/zinc/63/44/13/993634413.db2.gz VSOGLQOZPBBRKA-GFCCVEGCSA-N 1 2 273.333 -1.472 20 0 CAADLO C[N@@H+](CC(=O)N1CC[NH+](C)CC1)C[C@@](C)(O)C(=O)[O-] ZINC001598605069 993634417 /nfs/dbraw/zinc/63/44/17/993634417.db2.gz VSOGLQOZPBBRKA-GFCCVEGCSA-N 1 2 273.333 -1.472 20 0 CAADLO C[N@@H+]1CCO[C@H](C(=O)N2CC[NH+](CC(=O)[O-])CC2)C1 ZINC001598625678 994086167 /nfs/dbraw/zinc/08/61/67/994086167.db2.gz MLHQENDAOZZRGG-JTQLQIEISA-N 1 2 271.317 -1.454 20 0 CAADLO C[N@H+]1CCO[C@H](C(=O)N2CC[NH+](CC(=O)[O-])CC2)C1 ZINC001598625678 994086176 /nfs/dbraw/zinc/08/61/76/994086176.db2.gz MLHQENDAOZZRGG-JTQLQIEISA-N 1 2 271.317 -1.454 20 0 CAADLO COC(=O)CN1CC[NH2+]CC[N@@H+](CC(=O)[O-])CC1 ZINC001598863810 996697997 /nfs/dbraw/zinc/69/79/97/996697997.db2.gz KDMBNHNKQRJNKJ-UHFFFAOYSA-N 1 2 259.306 -1.549 20 0 CAADLO COC(=O)CN1CC[NH2+]CC[N@H+](CC(=O)[O-])CC1 ZINC001598863810 996697992 /nfs/dbraw/zinc/69/79/92/996697992.db2.gz KDMBNHNKQRJNKJ-UHFFFAOYSA-N 1 2 259.306 -1.549 20 0 CAADLO COCC[NH+]1CCN(C(=O)[C@H]([NH3+])CCC(=O)[O-])CC1 ZINC001599240038 998022067 /nfs/dbraw/zinc/02/20/67/998022067.db2.gz DULRMJVZKXUBCE-SNVBAGLBSA-N 1 2 273.333 -1.031 20 0 CAADLO O=C(C[N@H+]1CC[C@@](O)(C(F)(F)F)C1)N1CCNC(=O)C1 ZINC000081048081 230161832 /nfs/dbraw/zinc/16/18/32/230161832.db2.gz IMKLJGVWFSPJAP-JTQLQIEISA-N 1 2 295.261 -1.056 20 0 CAADLO O=C(C[N@@H+]1CC[C@@](O)(C(F)(F)F)C1)N1CCNC(=O)C1 ZINC000081048081 230161835 /nfs/dbraw/zinc/16/18/35/230161835.db2.gz IMKLJGVWFSPJAP-JTQLQIEISA-N 1 2 295.261 -1.056 20 0 CAADLO C[C@H](CN1CCOCC1)[NH+]1CCN(C(=O)CO)CC1 ZINC000089267298 230164176 /nfs/dbraw/zinc/16/41/76/230164176.db2.gz JEBWTBZJWLDJTL-GFCCVEGCSA-N 1 2 271.361 -1.156 20 0 CAADLO C[C@@H](O)C[N@H+](C)Cc1nc2c([nH]1)n(C)c(=O)n(C)c2=O ZINC000093176127 230167243 /nfs/dbraw/zinc/16/72/43/230167243.db2.gz PHQWIPXKICRAIR-SSDOTTSWSA-N 1 2 281.316 -1.227 20 0 CAADLO C[C@@H](O)C[N@@H+](C)Cc1nc2c([nH]1)n(C)c(=O)n(C)c2=O ZINC000093176127 230167249 /nfs/dbraw/zinc/16/72/49/230167249.db2.gz PHQWIPXKICRAIR-SSDOTTSWSA-N 1 2 281.316 -1.227 20 0 CAADLO CCn1c(N)c(C(=O)C[N@H+](C)[C@H](C)CO)c(=O)[nH]c1=O ZINC000132161065 230175093 /nfs/dbraw/zinc/17/50/93/230175093.db2.gz GYPFQPGLDKWVSX-SSDOTTSWSA-N 1 2 284.316 -1.366 20 0 CAADLO CCn1c(N)c(C(=O)C[N@@H+](C)[C@H](C)CO)c(=O)[nH]c1=O ZINC000132161065 230175099 /nfs/dbraw/zinc/17/50/99/230175099.db2.gz GYPFQPGLDKWVSX-SSDOTTSWSA-N 1 2 284.316 -1.366 20 0 CAADLO CS(=O)(=O)N[C@H]1CC[N@H+](CC(=O)NC2CC2)C1 ZINC000116891184 230173663 /nfs/dbraw/zinc/17/36/63/230173663.db2.gz FXOZCTXOOWECMV-VIFPVBQESA-N 1 2 261.347 -1.112 20 0 CAADLO CS(=O)(=O)N[C@H]1CC[N@@H+](CC(=O)NC2CC2)C1 ZINC000116891184 230173668 /nfs/dbraw/zinc/17/36/68/230173668.db2.gz FXOZCTXOOWECMV-VIFPVBQESA-N 1 2 261.347 -1.112 20 0 CAADLO CCn1c(N)c(C(=O)C[N@@H+]2CC[C@@H](CO)C2)c(=O)[nH]c1=O ZINC000174704597 230188685 /nfs/dbraw/zinc/18/86/85/230188685.db2.gz YORPMZLFJDGTCI-MRVPVSSYSA-N 1 2 296.327 -1.364 20 0 CAADLO CCOCCC(=O)N[C@@H]1C[N@@H+]([C@H]2CCN(C)C2=O)C[C@H]1O ZINC001191734688 781918739 /nfs/dbraw/zinc/91/87/39/781918739.db2.gz SUQSQVCXQRJGHJ-GRYCIOLGSA-N 1 2 299.371 -1.195 20 0 CAADLO O=C(CN1CCNCC1=O)NCCn1cc[nH+]c1 ZINC000163652366 230184745 /nfs/dbraw/zinc/18/47/45/230184745.db2.gz RGOYUOIRPZGMPB-UHFFFAOYSA-N 1 2 251.290 -1.569 20 0 CAADLO O=C(C(=O)N1CC[NH+](CCO)CC1)N1CCCC1 ZINC000170376546 230185990 /nfs/dbraw/zinc/18/59/90/230185990.db2.gz SRAXZNDAFQSEBQ-UHFFFAOYSA-N 1 2 255.318 -1.255 20 0 CAADLO CCOCCC(=O)N[C@@H]1C[N@H+]([C@H]2CCN(C)C2=O)C[C@H]1O ZINC001191734688 781918747 /nfs/dbraw/zinc/91/87/47/781918747.db2.gz SUQSQVCXQRJGHJ-GRYCIOLGSA-N 1 2 299.371 -1.195 20 0 CAADLO C[C@H](C[NH+]1CCOCC1)NC(=O)Cn1ncn(C)c1=O ZINC000179431058 230195694 /nfs/dbraw/zinc/19/56/94/230195694.db2.gz LBPUPTZNBNNEKN-SNVBAGLBSA-N 1 2 283.332 -1.581 20 0 CAADLO Cn1cc(C(N)=O)cc1C(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000178784615 230194119 /nfs/dbraw/zinc/19/41/19/230194119.db2.gz VHMIRFBZIMOWPW-NSHDSACASA-N 1 2 291.355 -1.146 20 0 CAADLO COC[C@H](C)S(=O)(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000179056570 230195094 /nfs/dbraw/zinc/19/50/94/230195094.db2.gz LAQJMEJHPGDAAG-WDEREUQCSA-N 1 2 277.390 -1.060 20 0 CAADLO COC[C@@H](C)S(=O)(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000179056600 230195338 /nfs/dbraw/zinc/19/53/38/230195338.db2.gz LAQJMEJHPGDAAG-MNOVXSKESA-N 1 2 277.390 -1.060 20 0 CAADLO NS(=O)(=O)N1CC[NH+](C[C@H](O)C(F)(F)F)CC1 ZINC000181697181 230198788 /nfs/dbraw/zinc/19/87/88/230198788.db2.gz YMQMCKDIRJUDLO-LURJTMIESA-N 1 2 277.268 -1.269 20 0 CAADLO Cn1cc(C[N@H+]2CCN(C)C(=O)C2)c(=O)n(C)c1=O ZINC000179736323 230199128 /nfs/dbraw/zinc/19/91/28/230199128.db2.gz KAVICCKSQPEPEZ-UHFFFAOYSA-N 1 2 266.301 -1.642 20 0 CAADLO Cn1cc(C[N@@H+]2CCN(C)C(=O)C2)c(=O)n(C)c1=O ZINC000179736323 230199135 /nfs/dbraw/zinc/19/91/35/230199135.db2.gz KAVICCKSQPEPEZ-UHFFFAOYSA-N 1 2 266.301 -1.642 20 0 CAADLO C[C@]1(C(N)=O)CCCC[N@@H+]1CC(=O)N1CCNC(=O)C1 ZINC000185955618 230199960 /nfs/dbraw/zinc/19/99/60/230199960.db2.gz NFMWJUYIQCQNQF-CYBMUJFWSA-N 1 2 282.344 -1.325 20 0 CAADLO C[C@]1(C(N)=O)CCCC[N@H+]1CC(=O)N1CCNC(=O)C1 ZINC000185955618 230199965 /nfs/dbraw/zinc/19/99/65/230199965.db2.gz NFMWJUYIQCQNQF-CYBMUJFWSA-N 1 2 282.344 -1.325 20 0 CAADLO COCCS(=O)(=O)N1CC[N@H+](CCO)[C@@H](C)C1 ZINC000188719393 230204632 /nfs/dbraw/zinc/20/46/32/230204632.db2.gz NPGYXFGYGSEPAC-JTQLQIEISA-N 1 2 266.363 -1.039 20 0 CAADLO COCCS(=O)(=O)N1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000188719393 230204638 /nfs/dbraw/zinc/20/46/38/230204638.db2.gz NPGYXFGYGSEPAC-JTQLQIEISA-N 1 2 266.363 -1.039 20 0 CAADLO COCCS(=O)(=O)N1CC[NH+](C[C@@H](C)O)CC1 ZINC000188286447 230204859 /nfs/dbraw/zinc/20/48/59/230204859.db2.gz NNRSOKBQLRUZKB-SNVBAGLBSA-N 1 2 266.363 -1.039 20 0 CAADLO O=C(NC1C[NH+](C[C@@H](O)CN2CCOCC2)C1)C1CC1 ZINC000187983063 230205128 /nfs/dbraw/zinc/20/51/28/230205128.db2.gz CFKCYMDCJSXEBG-ZDUSSCGKSA-N 1 2 283.372 -1.110 20 0 CAADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)NCCC(N)=O ZINC000193209188 230207464 /nfs/dbraw/zinc/20/74/64/230207464.db2.gz CSDIBPUXFSTTBU-VIFPVBQESA-N 1 2 258.322 -1.118 20 0 CAADLO C[C@@H](C(=O)NC1CC1)[NH+]1CCN(Cc2nnn(C)n2)CC1 ZINC000193229692 230207528 /nfs/dbraw/zinc/20/75/28/230207528.db2.gz POUOPZHURNSVHW-JTQLQIEISA-N 1 2 293.375 -1.005 20 0 CAADLO C[C@@H]1C[N@H+](CC(=O)N2CCNC2=O)C[C@@H](CO)O1 ZINC000230014776 230212656 /nfs/dbraw/zinc/21/26/56/230212656.db2.gz PUFBHXYSYAOXQJ-BDAKNGLRSA-N 1 2 257.290 -1.380 20 0 CAADLO C[C@@H]1C[N@@H+](CC(=O)N2CCNC2=O)C[C@@H](CO)O1 ZINC000230014776 230212664 /nfs/dbraw/zinc/21/26/64/230212664.db2.gz PUFBHXYSYAOXQJ-BDAKNGLRSA-N 1 2 257.290 -1.380 20 0 CAADLO C[C@H](NC(=O)C[N@@H+]1CCC[C@H]1C(N)=O)C(=O)N(C)C ZINC000255895118 230219468 /nfs/dbraw/zinc/21/94/68/230219468.db2.gz WSQKESTYUVQAGN-IUCAKERBSA-N 1 2 270.333 -1.471 20 0 CAADLO C[C@H](NC(=O)C[N@H+]1CCC[C@H]1C(N)=O)C(=O)N(C)C ZINC000255895118 230219473 /nfs/dbraw/zinc/21/94/73/230219473.db2.gz WSQKESTYUVQAGN-IUCAKERBSA-N 1 2 270.333 -1.471 20 0 CAADLO O=C(NCCC[N@@H+]1CCNC(=O)C1)[C@@H]1CCOC1 ZINC000338129088 230237591 /nfs/dbraw/zinc/23/75/91/230237591.db2.gz BRKPYGUHRNRZPR-SNVBAGLBSA-N 1 2 255.318 -1.039 20 0 CAADLO O=C(NCCC[N@H+]1CCNC(=O)C1)[C@@H]1CCOC1 ZINC000338129088 230237593 /nfs/dbraw/zinc/23/75/93/230237593.db2.gz BRKPYGUHRNRZPR-SNVBAGLBSA-N 1 2 255.318 -1.039 20 0 CAADLO COCC[N@H+](CC(=O)NCC(=O)OC)[C@H](C)C(N)=O ZINC000358356887 230244333 /nfs/dbraw/zinc/24/43/33/230244333.db2.gz PYDMMPYXEFLZML-MRVPVSSYSA-N 1 2 275.305 -1.902 20 0 CAADLO COCC[N@@H+](CC(=O)NCC(=O)OC)[C@H](C)C(N)=O ZINC000358356887 230244338 /nfs/dbraw/zinc/24/43/38/230244338.db2.gz PYDMMPYXEFLZML-MRVPVSSYSA-N 1 2 275.305 -1.902 20 0 CAADLO CN(C)C(=O)CNC(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000358767096 230247965 /nfs/dbraw/zinc/24/79/65/230247965.db2.gz ILDKHMSZWFZRBY-UHFFFAOYSA-N 1 2 299.375 -1.334 20 0 CAADLO O=C(CN1CN=NC1=O)N[C@H](CO)C[NH+]1CCOCC1 ZINC000425296849 230286578 /nfs/dbraw/zinc/28/65/78/230286578.db2.gz TVSJVQLCGQTKSP-VIFPVBQESA-N 1 2 285.304 -2.207 20 0 CAADLO CCS(=O)(=O)NCC[NH+]1CCN(CC(=O)OC)CC1 ZINC000429670326 230298759 /nfs/dbraw/zinc/29/87/59/230298759.db2.gz GXMDWWCIXOWSOW-UHFFFAOYSA-N 1 2 293.389 -1.284 20 0 CAADLO O=C(CN1CC[NH2+]CC1=O)N1[C@@H]2CC[C@H]1CNC(=O)C2 ZINC000430019289 230301578 /nfs/dbraw/zinc/30/15/78/230301578.db2.gz WMNHUXWKIGMZLX-ZJUUUORDSA-N 1 2 280.328 -1.702 20 0 CAADLO O=C(CN1CC[NH2+]CC1=O)NCCC(=O)N1CCCCC1 ZINC000430147303 230301614 /nfs/dbraw/zinc/30/16/14/230301614.db2.gz NZTGVCQUXBNTIE-UHFFFAOYSA-N 1 2 296.371 -1.063 20 0 CAADLO C[C@H]1C(=O)NCCN1C(=O)CN1CC[NH2+]CC1=O ZINC000429892523 230301654 /nfs/dbraw/zinc/30/16/54/230301654.db2.gz PEKHHWGIZZAUEB-QMMMGPOBSA-N 1 2 254.290 -2.235 20 0 CAADLO O=C(CN1CC[NH2+]CC1=O)N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000429982694 230302073 /nfs/dbraw/zinc/30/20/73/230302073.db2.gz DLYPTTRZJPGMIL-CQSZACIVSA-N 1 2 294.355 -1.453 20 0 CAADLO O=C(CN1CC[NH2+]CC1=O)NC[C@H]1COCCO1 ZINC000429956919 230302145 /nfs/dbraw/zinc/30/21/45/230302145.db2.gz CWEAMLNMSLHOOR-VIFPVBQESA-N 1 2 257.290 -2.050 20 0 CAADLO O=C(CN1CC[NH2+]CC1=O)NC[C@@H]1COCCO1 ZINC000429956918 230303003 /nfs/dbraw/zinc/30/30/03/230303003.db2.gz CWEAMLNMSLHOOR-SECBINFHSA-N 1 2 257.290 -2.050 20 0 CAADLO COCCOCCCNC(=O)CN1CC[NH2+]CC1=O ZINC000429779060 230303381 /nfs/dbraw/zinc/30/33/81/230303381.db2.gz JQJCIQIPPFUMRB-UHFFFAOYSA-N 1 2 273.333 -1.413 20 0 CAADLO O=C(CN1CC[NH2+]CC1=O)NC[C@@H]1CCC[C@@H]1O ZINC000430276686 230304368 /nfs/dbraw/zinc/30/43/68/230304368.db2.gz COAJDPFRZHEITD-UWVGGRQHSA-N 1 2 255.318 -1.305 20 0 CAADLO O=C(CN1CC[NH2+]CC1=O)NC[C@@H](O)C(F)(F)F ZINC000430309151 230304476 /nfs/dbraw/zinc/30/44/76/230304476.db2.gz VIURBSJLOJLNOR-ZCFIWIBFSA-N 1 2 269.223 -1.542 20 0 CAADLO O=C(CN1CC[NH2+]CC1=O)NCCCO[C@@H]1CCOC1 ZINC000430431846 230304786 /nfs/dbraw/zinc/30/47/86/230304786.db2.gz YHKCBPFLTZZLLX-LLVKDONJSA-N 1 2 285.344 -1.270 20 0 CAADLO O=C(CN1CC[NH2+]CC1=O)NC1(c2nn[nH]n2)CCCC1 ZINC000430391714 230305345 /nfs/dbraw/zinc/30/53/45/230305345.db2.gz GZXCWVLPRLILDL-UHFFFAOYSA-N 1 2 293.331 -1.483 20 0 CAADLO O=C(CN1CC[NH2+]CC1=O)NC[C@H](O)C(F)(F)F ZINC000430309150 230305885 /nfs/dbraw/zinc/30/58/85/230305885.db2.gz VIURBSJLOJLNOR-LURJTMIESA-N 1 2 269.223 -1.542 20 0 CAADLO CN(C(=O)CN1CC[NH2+]CC1=O)c1cnn(C)c1 ZINC000430769564 230307257 /nfs/dbraw/zinc/30/72/57/230307257.db2.gz WGEWVLRKDRHOKO-UHFFFAOYSA-N 1 2 251.290 -1.185 20 0 CAADLO COC[C@H]1CCN(C(=O)CN2CC[NH2+]CC2=O)C1 ZINC000430544061 230307337 /nfs/dbraw/zinc/30/73/37/230307337.db2.gz SQRALWGAYWNPNZ-JTQLQIEISA-N 1 2 255.318 -1.087 20 0 CAADLO C[C@@]1(CNC(=O)CN2CC[NH2+]CC2=O)CCOC1 ZINC000430545842 230309167 /nfs/dbraw/zinc/30/91/67/230309167.db2.gz WHVXCKMSFHBTOQ-LBPRGKRZSA-N 1 2 255.318 -1.039 20 0 CAADLO NC(=O)[C@H]1CC[C@H](CNC(=O)CN2CC[NH2+]CC2=O)O1 ZINC000430855001 230311007 /nfs/dbraw/zinc/31/10/07/230311007.db2.gz PNWQRBJIZZCERJ-RKDXNWHRSA-N 1 2 284.316 -2.433 20 0 CAADLO CC[C@@H](C)[C@@H](O)CNC(=O)CN1CC[NH2+]CC1=O ZINC000157853051 529403217 /nfs/dbraw/zinc/40/32/17/529403217.db2.gz WVMCBFBONKIMAS-ZJUUUORDSA-N 1 2 257.334 -1.059 20 0 CAADLO O[C@H]1CN(c2cc(N3CCOCC3)[nH+]cn2)C[C@@H]1O ZINC000433809706 230316514 /nfs/dbraw/zinc/31/65/14/230316514.db2.gz WLGQRBSBMDWIDR-UWVGGRQHSA-N 1 2 266.301 -1.145 20 0 CAADLO COCCS(=O)(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000433728428 230317321 /nfs/dbraw/zinc/31/73/21/230317321.db2.gz BKNOMRNVFIDELX-NSHDSACASA-N 1 2 296.389 -1.413 20 0 CAADLO COCCCNC(=O)C[N@@H+]1CCC[C@@H]1CS(N)(=O)=O ZINC000440638387 230326677 /nfs/dbraw/zinc/32/66/77/230326677.db2.gz LTSXVSDHUKYIRK-SNVBAGLBSA-N 1 2 293.389 -1.108 20 0 CAADLO COCCCNC(=O)C[N@H+]1CCC[C@@H]1CS(N)(=O)=O ZINC000440638387 230326680 /nfs/dbraw/zinc/32/66/80/230326680.db2.gz LTSXVSDHUKYIRK-SNVBAGLBSA-N 1 2 293.389 -1.108 20 0 CAADLO COCCCS(=O)(=O)NCC[N@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000444702580 230337032 /nfs/dbraw/zinc/33/70/32/230337032.db2.gz INQJAHAJUPBOKP-AOOOYVTPSA-N 1 2 282.362 -2.020 20 0 CAADLO COCCCS(=O)(=O)NCC[N@@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000444702580 230337035 /nfs/dbraw/zinc/33/70/35/230337035.db2.gz INQJAHAJUPBOKP-AOOOYVTPSA-N 1 2 282.362 -2.020 20 0 CAADLO C[C@@H](O)C[NH+]1CCN(C(=O)C(=O)N2CCO[C@@H](C)C2)CC1 ZINC000459905797 230351336 /nfs/dbraw/zinc/35/13/36/230351336.db2.gz VZFCCXXXHWPOMF-NEPJUHHUSA-N 1 2 299.371 -1.241 20 0 CAADLO C[C@H](O)C[NH+]1CCN(C(=O)C(=O)N2CCO[C@@H](C)C2)CC1 ZINC000459905800 230352165 /nfs/dbraw/zinc/35/21/65/230352165.db2.gz VZFCCXXXHWPOMF-RYUDHWBXSA-N 1 2 299.371 -1.241 20 0 CAADLO C[C@H]1COCC[N@@H+]1CCNC(=O)N1C[C@@H](O)C[C@H]1CO ZINC000482975679 230353443 /nfs/dbraw/zinc/35/34/43/230353443.db2.gz CRWHEHFGNVIYOX-SRVKXCTJSA-N 1 2 287.360 -1.156 20 0 CAADLO C[C@H]1COCC[N@H+]1CCNC(=O)N1C[C@@H](O)C[C@H]1CO ZINC000482975679 230353449 /nfs/dbraw/zinc/35/34/49/230353449.db2.gz CRWHEHFGNVIYOX-SRVKXCTJSA-N 1 2 287.360 -1.156 20 0 CAADLO NC(=O)CC(=O)N1CC[C@H](OCC[NH+]2CCOCC2)C1 ZINC000479019474 230353831 /nfs/dbraw/zinc/35/38/31/230353831.db2.gz QCACLVWGEBQGQZ-NSHDSACASA-N 1 2 285.344 -1.189 20 0 CAADLO CO[C@H]1C[NH+](Cc2nc(N)nc(N)n2)C[C@@H]1OC ZINC000487961090 230355723 /nfs/dbraw/zinc/35/57/23/230355723.db2.gz NEGSMXJDIWWUNL-BQBZGAKWSA-N 1 2 254.294 -1.458 20 0 CAADLO O=C(NC[C@H]1C[N@@H+](C2CC2)CCO1)NC(CO)CO ZINC000494221239 230363608 /nfs/dbraw/zinc/36/36/08/230363608.db2.gz WIKYXNDOBLZNSG-NSHDSACASA-N 1 2 273.333 -1.498 20 0 CAADLO O=C(NC[C@H]1C[N@H+](C2CC2)CCO1)NC(CO)CO ZINC000494221239 230363609 /nfs/dbraw/zinc/36/36/09/230363609.db2.gz WIKYXNDOBLZNSG-NSHDSACASA-N 1 2 273.333 -1.498 20 0 CAADLO O=C(C=Cc1c[nH]c[nH+]1)NCCN1CCNC(=O)C1 ZINC000493582640 230363323 /nfs/dbraw/zinc/36/33/23/230363323.db2.gz KVRKKKPYCMBVEL-UPHRSURJSA-N 1 2 263.301 -1.029 20 0 CAADLO O=C1CNC(=O)N1CC[N@@H+]1CCN2C(=O)OC[C@H]2C1 ZINC000493564969 230363369 /nfs/dbraw/zinc/36/33/69/230363369.db2.gz KWPHJQILQUEYJK-MRVPVSSYSA-N 1 2 268.273 -1.325 20 0 CAADLO O=C1CNC(=O)N1CC[N@H+]1CCN2C(=O)OC[C@H]2C1 ZINC000493564969 230363370 /nfs/dbraw/zinc/36/33/70/230363370.db2.gz KWPHJQILQUEYJK-MRVPVSSYSA-N 1 2 268.273 -1.325 20 0 CAADLO COCCN(C)S(=O)(=O)N1CC[N@H+](CCO)[C@@H](C)C1 ZINC000494287260 230363511 /nfs/dbraw/zinc/36/35/11/230363511.db2.gz HUXRIYOCLNHGSR-NSHDSACASA-N 1 2 295.405 -1.192 20 0 CAADLO COCCN(C)S(=O)(=O)N1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000494287260 230363512 /nfs/dbraw/zinc/36/35/12/230363512.db2.gz HUXRIYOCLNHGSR-NSHDSACASA-N 1 2 295.405 -1.192 20 0 CAADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1COC(=O)N1 ZINC000495597416 230363793 /nfs/dbraw/zinc/36/37/93/230363793.db2.gz NFPOPJOSHBXLHB-IUCAKERBSA-N 1 2 257.290 -1.068 20 0 CAADLO NC(CN1CCOCC1)=[NH+]OC[C@@H]1CNC(=O)O1 ZINC000495719870 230364012 /nfs/dbraw/zinc/36/40/12/230364012.db2.gz UCAGMVQRKQSXKZ-QMMMGPOBSA-N 1 2 258.278 -1.075 20 0 CAADLO CCC(=O)NCC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@H]1O ZINC001191802378 781921315 /nfs/dbraw/zinc/92/13/15/781921315.db2.gz POIWWFOIDSZZJC-OPRDCNLKSA-N 1 2 298.343 -2.438 20 0 CAADLO CCC(=O)NCC(=O)N[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@H]1O ZINC001191802378 781921328 /nfs/dbraw/zinc/92/13/28/781921328.db2.gz POIWWFOIDSZZJC-OPRDCNLKSA-N 1 2 298.343 -2.438 20 0 CAADLO C[C@H]1OC(=O)N[C@H]1C(=O)NCC[NH+]1CCOCC1 ZINC000495856683 230364328 /nfs/dbraw/zinc/36/43/28/230364328.db2.gz SYRGWBDZBGWLQY-RKDXNWHRSA-N 1 2 257.290 -1.068 20 0 CAADLO CC[C@@H](Nc1nc(NCCO)[nH+]c(NC(C)C)n1)[C@@H](C)O ZINC000450805204 529569916 /nfs/dbraw/zinc/56/99/16/529569916.db2.gz ZQANYWKFDJGUBL-NXEZZACHSA-N 1 2 298.391 -1.067 20 0 CAADLO CC[C@@H](Nc1nc(NC(C)C)nc(NCCO)[nH+]1)[C@@H](C)O ZINC000450805204 529569924 /nfs/dbraw/zinc/56/99/24/529569924.db2.gz ZQANYWKFDJGUBL-NXEZZACHSA-N 1 2 298.391 -1.067 20 0 CAADLO CC[C@@H](Nc1nc(NCCO)nc(NC(C)C)[nH+]1)[C@@H](C)O ZINC000450805204 529569927 /nfs/dbraw/zinc/56/99/27/529569927.db2.gz ZQANYWKFDJGUBL-NXEZZACHSA-N 1 2 298.391 -1.067 20 0 CAADLO O=C(CN1CC[NH2+]CC1=O)NCCCN1CCOC1=O ZINC000496913065 230365077 /nfs/dbraw/zinc/36/50/77/230365077.db2.gz XJNCNKRAHYDLGM-UHFFFAOYSA-N 1 2 284.316 -1.623 20 0 CAADLO CN(C)C(=O)N1CCN(C(=O)CN2CC[NH2+]CC2=O)CC1 ZINC000573442666 334937873 /nfs/dbraw/zinc/93/78/73/334937873.db2.gz UNWUDEBVCBGOMH-UHFFFAOYSA-N 1 2 297.359 -1.756 20 0 CAADLO CNS(=O)(=O)NCC(=O)NCCCCn1cc[nH+]c1 ZINC000573453624 334938881 /nfs/dbraw/zinc/93/88/81/334938881.db2.gz BENWNRFRQICOFG-UHFFFAOYSA-N 1 2 289.361 -1.167 20 0 CAADLO C[C@@H](C(=O)N(C)C)S(=O)(=O)NCC(F)(F)C[NH3+] ZINC000354139773 295701558 /nfs/dbraw/zinc/70/15/58/295701558.db2.gz UZQXJRYHGFVUON-LURJTMIESA-N 1 2 273.305 -1.024 20 0 CAADLO CN1CCN(S(=O)(=O)N2CC[NH+](CCO)CC2)CC1 ZINC000177723775 529775549 /nfs/dbraw/zinc/77/55/49/529775549.db2.gz MKDMCEXLQRJCCZ-UHFFFAOYSA-N 1 2 292.405 -1.912 20 0 CAADLO CN1CCN(c2cc(N3C[C@@H](O)[C@H](O)C3)[nH+]cn2)CC1=O ZINC000433819525 529776909 /nfs/dbraw/zinc/77/69/09/529776909.db2.gz JONDDJSSHBIVFA-NXEZZACHSA-N 1 2 293.327 -1.703 20 0 CAADLO CN1CCN(c2cc(N3C[C@@H](O)[C@H](O)C3)nc[nH+]2)CC1=O ZINC000433819525 529776911 /nfs/dbraw/zinc/77/69/11/529776911.db2.gz JONDDJSSHBIVFA-NXEZZACHSA-N 1 2 293.327 -1.703 20 0 CAADLO Cn1nc(C(=O)NC[C@H]2C[N@H+](C)CCO2)ccc1=O ZINC000194637900 529784166 /nfs/dbraw/zinc/78/41/66/529784166.db2.gz ILKJKEVPUJGOQB-VIFPVBQESA-N 1 2 266.301 -1.159 20 0 CAADLO Cn1nc(C(=O)NC[C@H]2C[N@@H+](C)CCO2)ccc1=O ZINC000194637900 529784167 /nfs/dbraw/zinc/78/41/67/529784167.db2.gz ILKJKEVPUJGOQB-VIFPVBQESA-N 1 2 266.301 -1.159 20 0 CAADLO C[N@@H+]1CCO[C@@H]2CN(C(=O)C3(CO)COC3)C[C@@H]21 ZINC000330216452 529785839 /nfs/dbraw/zinc/78/58/39/529785839.db2.gz HUOQIJZGHDABQE-VHSXEESVSA-N 1 2 256.302 -1.463 20 0 CAADLO C[N@H+]1CCO[C@@H]2CN(C(=O)C3(CO)COC3)C[C@@H]21 ZINC000330216452 529785840 /nfs/dbraw/zinc/78/58/40/529785840.db2.gz HUOQIJZGHDABQE-VHSXEESVSA-N 1 2 256.302 -1.463 20 0 CAADLO C[N@@H+]1CCO[C@@H]2CN(C(=O)[C@@H]3COCCO3)C[C@H]21 ZINC000329980685 529786063 /nfs/dbraw/zinc/78/60/63/529786063.db2.gz LVBOIEGCPWAGAE-MXWKQRLJSA-N 1 2 256.302 -1.057 20 0 CAADLO C[N@H+]1CCO[C@@H]2CN(C(=O)[C@@H]3COCCO3)C[C@H]21 ZINC000329980685 529786064 /nfs/dbraw/zinc/78/60/64/529786064.db2.gz LVBOIEGCPWAGAE-MXWKQRLJSA-N 1 2 256.302 -1.057 20 0 CAADLO C[N@@H+]1CCO[C@H](C(=O)NC(C)(C)c2nn[nH]n2)C1 ZINC000354778269 529787199 /nfs/dbraw/zinc/78/71/99/529787199.db2.gz UFRFCIHITUXTST-ZETCQYMHSA-N 1 2 254.294 -1.118 20 0 CAADLO C[N@H+]1CCO[C@H](C(=O)NC(C)(C)c2nn[nH]n2)C1 ZINC000354778269 529787200 /nfs/dbraw/zinc/78/72/00/529787200.db2.gz UFRFCIHITUXTST-ZETCQYMHSA-N 1 2 254.294 -1.118 20 0 CAADLO CN1C(=O)CC[C@@H](NC(=O)NC[C@@H]2C[N@H+](C)CCO2)C1=O ZINC000333729206 529789391 /nfs/dbraw/zinc/78/93/91/529789391.db2.gz KSONHGZRZGWZDX-NXEZZACHSA-N 1 2 298.343 -1.236 20 0 CAADLO CN1C(=O)CC[C@@H](NC(=O)NC[C@@H]2C[N@@H+](C)CCO2)C1=O ZINC000333729206 529789393 /nfs/dbraw/zinc/78/93/93/529789393.db2.gz KSONHGZRZGWZDX-NXEZZACHSA-N 1 2 298.343 -1.236 20 0 CAADLO CCC(=O)NCC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(N)=O)C[C@H]1O ZINC001191863076 781922850 /nfs/dbraw/zinc/92/28/50/781922850.db2.gz BMGKPCNGSQYEIV-IWSPIJDZSA-N 1 2 286.332 -2.452 20 0 CAADLO C[N@@H+]1CCO[C@H]2CN(C(=O)Cn3cccnc3=O)C[C@H]21 ZINC000329977176 529790525 /nfs/dbraw/zinc/79/05/25/529790525.db2.gz ZJOKPXOELSYDDX-MNOVXSKESA-N 1 2 278.312 -1.215 20 0 CAADLO C[N@H+]1CCO[C@H]2CN(C(=O)Cn3cccnc3=O)C[C@H]21 ZINC000329977176 529790526 /nfs/dbraw/zinc/79/05/26/529790526.db2.gz ZJOKPXOELSYDDX-MNOVXSKESA-N 1 2 278.312 -1.215 20 0 CAADLO CCC(=O)NCC(=O)N[C@@H]1C[N@H+]([C@H](C)C(N)=O)C[C@H]1O ZINC001191863076 781922859 /nfs/dbraw/zinc/92/28/59/781922859.db2.gz BMGKPCNGSQYEIV-IWSPIJDZSA-N 1 2 286.332 -2.452 20 0 CAADLO CN1CCO[C@H]2C[N@H+](CC(=O)N3CCOCC3)C[C@@H]21 ZINC000121170055 529791104 /nfs/dbraw/zinc/79/11/04/529791104.db2.gz QZPVMVSJBLJDDU-RYUDHWBXSA-N 1 2 269.345 -1.140 20 0 CAADLO CN1CCO[C@H]2C[N@@H+](CC(=O)N3CCOCC3)C[C@@H]21 ZINC000121170055 529791105 /nfs/dbraw/zinc/79/11/05/529791105.db2.gz QZPVMVSJBLJDDU-RYUDHWBXSA-N 1 2 269.345 -1.140 20 0 CAADLO CN1CC[C@H](NC(=O)CN2CC[NH2+]CC2=O)C1=O ZINC000430540825 529805374 /nfs/dbraw/zinc/80/53/74/529805374.db2.gz GPURAMXZITUVJN-QMMMGPOBSA-N 1 2 254.290 -2.235 20 0 CAADLO CN(CC(=O)N1CCC1)C[C@H](O)C[NH+]1CCOCC1 ZINC000332991858 529826818 /nfs/dbraw/zinc/82/68/18/529826818.db2.gz BLJHLJUUFNHNMU-LBPRGKRZSA-N 1 2 271.361 -1.156 20 0 CAADLO CN1CC[C@@H]([N@H+](C)CC(=O)N2CCC[C@@H](C(N)=O)C2)C1=O ZINC000352669623 529827123 /nfs/dbraw/zinc/82/71/23/529827123.db2.gz BHJBOLUAXODTEZ-GHMZBOCLSA-N 1 2 296.371 -1.127 20 0 CAADLO CN1CC[C@@H]([N@@H+](C)CC(=O)N2CCC[C@@H](C(N)=O)C2)C1=O ZINC000352669623 529827125 /nfs/dbraw/zinc/82/71/25/529827125.db2.gz BHJBOLUAXODTEZ-GHMZBOCLSA-N 1 2 296.371 -1.127 20 0 CAADLO CN1CC[C@H]([N@H+](C)CC(=O)N2CCC[C@H](C(N)=O)C2)C1=O ZINC000352669625 529827573 /nfs/dbraw/zinc/82/75/73/529827573.db2.gz BHJBOLUAXODTEZ-QWRGUYRKSA-N 1 2 296.371 -1.127 20 0 CAADLO CN1CC[C@H]([N@@H+](C)CC(=O)N2CCC[C@H](C(N)=O)C2)C1=O ZINC000352669625 529827576 /nfs/dbraw/zinc/82/75/76/529827576.db2.gz BHJBOLUAXODTEZ-QWRGUYRKSA-N 1 2 296.371 -1.127 20 0 CAADLO CN1CC[C@@H]([N@H+](C)CC(=O)N2CCC[C@H](C(N)=O)C2)C1=O ZINC000352669626 529827690 /nfs/dbraw/zinc/82/76/90/529827690.db2.gz BHJBOLUAXODTEZ-WDEREUQCSA-N 1 2 296.371 -1.127 20 0 CAADLO CN1CC[C@@H]([N@@H+](C)CC(=O)N2CCC[C@H](C(N)=O)C2)C1=O ZINC000352669626 529827692 /nfs/dbraw/zinc/82/76/92/529827692.db2.gz BHJBOLUAXODTEZ-WDEREUQCSA-N 1 2 296.371 -1.127 20 0 CAADLO C[N@H+](CC(=O)N1CCNC(=O)C1)[C@@H]1COC[C@H]1O ZINC000329170808 529827954 /nfs/dbraw/zinc/82/79/54/529827954.db2.gz KEROBRWTKUWBLB-RKDXNWHRSA-N 1 2 257.290 -1.523 20 0 CAADLO C[N@@H+](CC(=O)N1CCNC(=O)C1)[C@@H]1COC[C@H]1O ZINC000329170808 529827955 /nfs/dbraw/zinc/82/79/55/529827955.db2.gz KEROBRWTKUWBLB-RKDXNWHRSA-N 1 2 257.290 -1.523 20 0 CAADLO CN1C[C@H](NC(=O)CN2CC[NH2+]CC2=O)CCC1=O ZINC000430527850 529828000 /nfs/dbraw/zinc/82/80/00/529828000.db2.gz VZIXVSLEEMKEHF-SECBINFHSA-N 1 2 268.317 -1.845 20 0 CAADLO CN(CC(=O)N1CCOCC1)C(=O)[C@@H]1COCC[NH2+]1 ZINC000430195589 529828819 /nfs/dbraw/zinc/82/88/19/529828819.db2.gz OJLSAMGVIFMVMD-JTQLQIEISA-N 1 2 271.317 -1.708 20 0 CAADLO CN(CC(=O)N1CCOCC1)C(=O)[C@H]1COCC[NH2+]1 ZINC000430195590 529828918 /nfs/dbraw/zinc/82/89/18/529828918.db2.gz OJLSAMGVIFMVMD-SNVBAGLBSA-N 1 2 271.317 -1.708 20 0 CAADLO CN1C[C@H](NC(=O)[C@H]2COCC[N@@H+]2CC2CCC2)C(=O)N1 ZINC000450620730 529829249 /nfs/dbraw/zinc/82/92/49/529829249.db2.gz VXERRLLYGUNZLY-NWDGAFQWSA-N 1 2 296.371 -1.051 20 0 CAADLO CN1C[C@H](NC(=O)[C@H]2COCC[N@H+]2CC2CCC2)C(=O)N1 ZINC000450620730 529829250 /nfs/dbraw/zinc/82/92/50/529829250.db2.gz VXERRLLYGUNZLY-NWDGAFQWSA-N 1 2 296.371 -1.051 20 0 CAADLO C[N@H+](CC(=O)NCC(=O)NC(C)(C)C)[C@@H]1COC[C@@H]1O ZINC000352797481 529833139 /nfs/dbraw/zinc/83/31/39/529833139.db2.gz ILDXXYVMILBSIG-ZJUUUORDSA-N 1 2 287.360 -1.291 20 0 CAADLO C[N@@H+](CC(=O)NCC(=O)NC(C)(C)C)[C@@H]1COC[C@@H]1O ZINC000352797481 529833140 /nfs/dbraw/zinc/83/31/40/529833140.db2.gz ILDXXYVMILBSIG-ZJUUUORDSA-N 1 2 287.360 -1.291 20 0 CAADLO CNC(=O)C[NH+]1CCN(c2ccc3nncn3n2)CC1 ZINC000331373433 529863391 /nfs/dbraw/zinc/86/33/91/529863391.db2.gz JPVNUBYXJPMHQE-UHFFFAOYSA-N 1 2 275.316 -1.008 20 0 CAADLO CNC(=O)CNC(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000356125207 529863915 /nfs/dbraw/zinc/86/39/15/529863915.db2.gz OXRWZDKXMSGQDS-VIFPVBQESA-N 1 2 258.322 -1.248 20 0 CAADLO CNC(=O)CNC(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000356125207 529863917 /nfs/dbraw/zinc/86/39/17/529863917.db2.gz OXRWZDKXMSGQDS-VIFPVBQESA-N 1 2 258.322 -1.248 20 0 CAADLO Cn1c(N)c(C(=O)C[N@H+](C)CCC(N)=O)c(=O)n(C)c1=O ZINC000353213476 529875173 /nfs/dbraw/zinc/87/51/73/529875173.db2.gz SUSLOHZUMDSZCV-UHFFFAOYSA-N 1 2 297.315 -2.344 20 0 CAADLO Cn1c(N)c(C(=O)C[N@@H+](C)CCC(N)=O)c(=O)n(C)c1=O ZINC000353213476 529875175 /nfs/dbraw/zinc/87/51/75/529875175.db2.gz SUSLOHZUMDSZCV-UHFFFAOYSA-N 1 2 297.315 -2.344 20 0 CAADLO CNC(=O)N1CC[NH+](CCCS(N)(=O)=O)CC1 ZINC000346456041 529878534 /nfs/dbraw/zinc/87/85/34/529878534.db2.gz KSKHWRCUIWWQRF-UHFFFAOYSA-N 1 2 264.351 -1.378 20 0 CAADLO CNC(=O)N1CC[NH+](C[C@](C)(O)C(=O)OC)CC1 ZINC000343787917 529878620 /nfs/dbraw/zinc/87/86/20/529878620.db2.gz FPHMWTCXJDYNSF-NSHDSACASA-N 1 2 259.306 -1.133 20 0 CAADLO CNC(=O)NC(=O)CC[N@@H+]1CCN(C)C(=O)[C@H]1C ZINC000186935531 529878864 /nfs/dbraw/zinc/87/88/64/529878864.db2.gz GXGJHEHPQUYIJX-MRVPVSSYSA-N 1 2 256.306 -1.005 20 0 CAADLO CNC(=O)NC(=O)CC[N@H+]1CCN(C)C(=O)[C@H]1C ZINC000186935531 529878866 /nfs/dbraw/zinc/87/88/66/529878866.db2.gz GXGJHEHPQUYIJX-MRVPVSSYSA-N 1 2 256.306 -1.005 20 0 CAADLO CNC(=O)NC(=O)CC[N@@H+]1CCN(C)C(=O)[C@@H]1C ZINC000186935546 529879031 /nfs/dbraw/zinc/87/90/31/529879031.db2.gz GXGJHEHPQUYIJX-QMMMGPOBSA-N 1 2 256.306 -1.005 20 0 CAADLO CNC(=O)NC(=O)CC[N@H+]1CCN(C)C(=O)[C@@H]1C ZINC000186935546 529879032 /nfs/dbraw/zinc/87/90/32/529879032.db2.gz GXGJHEHPQUYIJX-QMMMGPOBSA-N 1 2 256.306 -1.005 20 0 CAADLO CNC(=O)NC(=O)CC[N@@H+]1CCO[C@H](C(=O)OC)C1 ZINC000112671906 529879190 /nfs/dbraw/zinc/87/91/90/529879190.db2.gz XZXDAIYCSHUREH-QMMMGPOBSA-N 1 2 273.289 -1.294 20 0 CAADLO CNC(=O)NC(=O)CC[N@H+]1CCO[C@H](C(=O)OC)C1 ZINC000112671906 529879191 /nfs/dbraw/zinc/87/91/91/529879191.db2.gz XZXDAIYCSHUREH-QMMMGPOBSA-N 1 2 273.289 -1.294 20 0 CAADLO CNC(=O)NC(=O)CC[N@@H+]1CCO[C@@H](C(=O)OC)C1 ZINC000112671908 529879376 /nfs/dbraw/zinc/87/93/76/529879376.db2.gz XZXDAIYCSHUREH-MRVPVSSYSA-N 1 2 273.289 -1.294 20 0 CAADLO CNC(=O)NC(=O)CC[N@H+]1CCO[C@@H](C(=O)OC)C1 ZINC000112671908 529879377 /nfs/dbraw/zinc/87/93/77/529879377.db2.gz XZXDAIYCSHUREH-MRVPVSSYSA-N 1 2 273.289 -1.294 20 0 CAADLO CNC(=O)NC(=O)C[N@H+](CCOC)[C@@H](C)C(N)=O ZINC000358355407 529879606 /nfs/dbraw/zinc/87/96/06/529879606.db2.gz NFZSIGAZTGUBFV-ZETCQYMHSA-N 1 2 260.294 -1.736 20 0 CAADLO CNC(=O)NC(=O)C[N@@H+](CCOC)[C@@H](C)C(N)=O ZINC000358355407 529879607 /nfs/dbraw/zinc/87/96/07/529879607.db2.gz NFZSIGAZTGUBFV-ZETCQYMHSA-N 1 2 260.294 -1.736 20 0 CAADLO CNC(=O)NC(=O)C[NH+]1CCN(c2cnn(C)c2)CC1 ZINC000174932519 529879776 /nfs/dbraw/zinc/87/97/76/529879776.db2.gz YWDRTAISCFYJSV-UHFFFAOYSA-N 1 2 280.332 -1.002 20 0 CAADLO CNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCc2nn(C)c(=O)cc2C1 ZINC000078620630 529880457 /nfs/dbraw/zinc/88/04/57/529880457.db2.gz DAFBEMGTPLVLSK-MRVPVSSYSA-N 1 2 293.327 -1.018 20 0 CAADLO CNC(=O)NC(=O)[C@@H](C)[N@H+]1CCc2nn(C)c(=O)cc2C1 ZINC000078620630 529880459 /nfs/dbraw/zinc/88/04/59/529880459.db2.gz DAFBEMGTPLVLSK-MRVPVSSYSA-N 1 2 293.327 -1.018 20 0 CAADLO CNC(=O)NC1CN(C(=O)[C@@H](C)[NH+]2CCN(C)CC2)C1 ZINC000332479033 529883505 /nfs/dbraw/zinc/88/35/05/529883505.db2.gz UPXGDFDQKNXENG-SNVBAGLBSA-N 1 2 283.376 -1.238 20 0 CAADLO CNC(=O)NC1CN(C(=O)[C@H](C)[NH+]2CCN(C)CC2)C1 ZINC000332479031 529883910 /nfs/dbraw/zinc/88/39/10/529883910.db2.gz UPXGDFDQKNXENG-JTQLQIEISA-N 1 2 283.376 -1.238 20 0 CAADLO CNC(=O)NCCC(=O)NCC[NH+]1CCN(C(C)=O)CC1 ZINC000432007343 529886000 /nfs/dbraw/zinc/88/60/00/529886000.db2.gz OXYVPHRALQXUTM-UHFFFAOYSA-N 1 2 299.375 -1.414 20 0 CAADLO CNC(=O)[C@@H]1CCCCN1C(=O)CN1CC[NH2+]CC1=O ZINC000430204819 529899186 /nfs/dbraw/zinc/89/91/86/529899186.db2.gz LRDBQZDPJLALNL-JTQLQIEISA-N 1 2 282.344 -1.455 20 0 CAADLO CNC(=O)[C@@H]1CCCC[N@@H+]1CC(=O)N1CCNC(=O)C1 ZINC000104670430 529899467 /nfs/dbraw/zinc/89/94/67/529899467.db2.gz AAOWREQIRZSUKC-JTQLQIEISA-N 1 2 282.344 -1.455 20 0 CAADLO CNC(=O)[C@@H]1CCCC[N@H+]1CC(=O)N1CCNC(=O)C1 ZINC000104670430 529899468 /nfs/dbraw/zinc/89/94/68/529899468.db2.gz AAOWREQIRZSUKC-JTQLQIEISA-N 1 2 282.344 -1.455 20 0 CAADLO CNC(=O)N[C@H]1CC[N@@H+]([C@H](C)C(=O)NCC(=O)OC)C1 ZINC000334048203 529890135 /nfs/dbraw/zinc/89/01/35/529890135.db2.gz PVNPJMVVRXNBIH-BDAKNGLRSA-N 1 2 286.332 -1.333 20 0 CAADLO CNC(=O)N[C@H]1CC[N@H+]([C@H](C)C(=O)NCC(=O)OC)C1 ZINC000334048203 529890137 /nfs/dbraw/zinc/89/01/37/529890137.db2.gz PVNPJMVVRXNBIH-BDAKNGLRSA-N 1 2 286.332 -1.333 20 0 CAADLO Cn1nnnc1C[N@H+](C)CCCOC(=O)NC(N)=O ZINC000494382587 529894330 /nfs/dbraw/zinc/89/43/30/529894330.db2.gz SJAIAKCDFWCKNU-UHFFFAOYSA-N 1 2 271.281 -1.163 20 0 CAADLO Cn1nnnc1C[N@@H+](C)CCCOC(=O)NC(N)=O ZINC000494382587 529894331 /nfs/dbraw/zinc/89/43/31/529894331.db2.gz SJAIAKCDFWCKNU-UHFFFAOYSA-N 1 2 271.281 -1.163 20 0 CAADLO Cn1cc(S(=O)(=O)NCC[N@H+](C)CC(N)=O)cn1 ZINC000441196749 529917242 /nfs/dbraw/zinc/91/72/42/529917242.db2.gz LMKGRQXQDOYDCK-UHFFFAOYSA-N 1 2 275.334 -1.885 20 0 CAADLO Cn1cc(S(=O)(=O)NCC[N@@H+](C)CC(N)=O)cn1 ZINC000441196749 529917243 /nfs/dbraw/zinc/91/72/43/529917243.db2.gz LMKGRQXQDOYDCK-UHFFFAOYSA-N 1 2 275.334 -1.885 20 0 CAADLO CNC(=O)[C@H]1CCCCN1C(=O)CN1CC[NH2+]CC1=O ZINC000430204820 529921005 /nfs/dbraw/zinc/92/10/05/529921005.db2.gz LRDBQZDPJLALNL-SNVBAGLBSA-N 1 2 282.344 -1.455 20 0 CAADLO CN(C[C@@H](O)C[NH+]1CCOCC1)c1ccc(C(N)=O)nn1 ZINC000433780695 529942283 /nfs/dbraw/zinc/94/22/83/529942283.db2.gz CPJYCYBQGIZWNE-SNVBAGLBSA-N 1 2 295.343 -1.295 20 0 CAADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)[C@@H]1COC(=O)N1 ZINC000496771848 529942383 /nfs/dbraw/zinc/94/23/83/529942383.db2.gz DDDSZSPHWKBEGB-ZJUUUORDSA-N 1 2 287.316 -1.754 20 0 CAADLO CN(CC[NH+]1CCOCC1)C(=O)C(=O)N[C@@H]1CCOC1 ZINC000672283993 545593111 /nfs/dbraw/zinc/59/31/11/545593111.db2.gz UKJRTNPGYFZSIH-LLVKDONJSA-N 1 2 285.344 -1.318 20 0 CAADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@H]1CCCC(=O)N1 ZINC000333435056 529959719 /nfs/dbraw/zinc/95/97/19/529959719.db2.gz IMLCZFFVFDNKAQ-NWDGAFQWSA-N 1 2 299.371 -1.193 20 0 CAADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)CN1CCCC1=O ZINC000332559433 529959797 /nfs/dbraw/zinc/95/97/97/529959797.db2.gz NQNYIHUAOZWUSV-LBPRGKRZSA-N 1 2 299.371 -1.240 20 0 CAADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@H]1CC(=O)N(C)C1 ZINC000329038523 529959828 /nfs/dbraw/zinc/95/98/28/529959828.db2.gz SAHUICXEOOHIGN-RYUDHWBXSA-N 1 2 299.371 -1.384 20 0 CAADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@@H]1CC(=O)N(C)C1 ZINC000329038520 529959920 /nfs/dbraw/zinc/95/99/20/529959920.db2.gz SAHUICXEOOHIGN-NEPJUHHUSA-N 1 2 299.371 -1.384 20 0 CAADLO CC[C@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)CC(N)=O)C1 ZINC001191987850 781924442 /nfs/dbraw/zinc/92/44/42/781924442.db2.gz LJSLHXUUKWCKKV-BWZBUEFSSA-N 1 2 272.305 -2.713 20 0 CAADLO CC[C@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC(N)=O)C1 ZINC001191987850 781924437 /nfs/dbraw/zinc/92/44/37/781924437.db2.gz LJSLHXUUKWCKKV-BWZBUEFSSA-N 1 2 272.305 -2.713 20 0 CAADLO CNS(=O)(=O)CCC[N@@H+]1C[C@@H](O)C[C@H]1C(=O)OC ZINC000352204484 530014761 /nfs/dbraw/zinc/01/47/61/530014761.db2.gz GYTNQQVXHIBFIG-IUCAKERBSA-N 1 2 280.346 -1.466 20 0 CAADLO CNS(=O)(=O)CCC[N@H+]1C[C@@H](O)C[C@H]1C(=O)OC ZINC000352204484 530014763 /nfs/dbraw/zinc/01/47/63/530014763.db2.gz GYTNQQVXHIBFIG-IUCAKERBSA-N 1 2 280.346 -1.466 20 0 CAADLO CNS(=O)(=O)CCC[N@@H+]1C[C@H](O)C[C@@H]1C(=O)OC ZINC000352204485 530015084 /nfs/dbraw/zinc/01/50/84/530015084.db2.gz GYTNQQVXHIBFIG-RKDXNWHRSA-N 1 2 280.346 -1.466 20 0 CAADLO CNS(=O)(=O)CCC[N@H+]1C[C@H](O)C[C@@H]1C(=O)OC ZINC000352204485 530015085 /nfs/dbraw/zinc/01/50/85/530015085.db2.gz GYTNQQVXHIBFIG-RKDXNWHRSA-N 1 2 280.346 -1.466 20 0 CAADLO CNS(=O)(=O)CCC[N@@H+]1C[C@@H](O)C[C@@H]1C(=O)OC ZINC000352204483 530015096 /nfs/dbraw/zinc/01/50/96/530015096.db2.gz GYTNQQVXHIBFIG-DTWKUNHWSA-N 1 2 280.346 -1.466 20 0 CAADLO CNS(=O)(=O)CCC[N@H+]1C[C@@H](O)C[C@@H]1C(=O)OC ZINC000352204483 530015097 /nfs/dbraw/zinc/01/50/97/530015097.db2.gz GYTNQQVXHIBFIG-DTWKUNHWSA-N 1 2 280.346 -1.466 20 0 CAADLO CN(Cc1cnccn1)C(=O)CN1CC[NH2+]CC1=O ZINC000431043047 530016538 /nfs/dbraw/zinc/01/65/38/530016538.db2.gz NZLNODRWULOEAS-UHFFFAOYSA-N 1 2 263.301 -1.133 20 0 CAADLO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1CC(=O)NC(N)=O ZINC000426185141 530019181 /nfs/dbraw/zinc/01/91/81/530019181.db2.gz BFMWYAVJDWSQOT-ZETCQYMHSA-N 1 2 278.334 -1.805 20 0 CAADLO CNS(=O)(=O)C[C@@H]1CCC[N@H+]1CC(=O)NC(N)=O ZINC000426185141 530019182 /nfs/dbraw/zinc/01/91/82/530019182.db2.gz BFMWYAVJDWSQOT-ZETCQYMHSA-N 1 2 278.334 -1.805 20 0 CAADLO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1[C@@H](C)C(=O)NC(N)=O ZINC000494713313 530019702 /nfs/dbraw/zinc/01/97/02/530019702.db2.gz XJPSJFRWYVPMQG-YUMQZZPRSA-N 1 2 292.361 -1.417 20 0 CAADLO CNS(=O)(=O)C[C@@H]1CCC[N@H+]1[C@@H](C)C(=O)NC(N)=O ZINC000494713313 530019703 /nfs/dbraw/zinc/01/97/03/530019703.db2.gz XJPSJFRWYVPMQG-YUMQZZPRSA-N 1 2 292.361 -1.417 20 0 CAADLO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1[C@H](C)C(=O)NC(N)=O ZINC000494713312 530019715 /nfs/dbraw/zinc/01/97/15/530019715.db2.gz XJPSJFRWYVPMQG-SFYZADRCSA-N 1 2 292.361 -1.417 20 0 CAADLO CNS(=O)(=O)C[C@@H]1CCC[N@H+]1[C@H](C)C(=O)NC(N)=O ZINC000494713312 530019716 /nfs/dbraw/zinc/01/97/16/530019716.db2.gz XJPSJFRWYVPMQG-SFYZADRCSA-N 1 2 292.361 -1.417 20 0 CAADLO CNS(=O)(=O)C[C@H]1CCC[N@@H+]1[C@@H](C)C(=O)NC(N)=O ZINC000494713311 530020122 /nfs/dbraw/zinc/02/01/22/530020122.db2.gz XJPSJFRWYVPMQG-JGVFFNPUSA-N 1 2 292.361 -1.417 20 0 CAADLO CNS(=O)(=O)C[C@H]1CCC[N@H+]1[C@@H](C)C(=O)NC(N)=O ZINC000494713311 530020123 /nfs/dbraw/zinc/02/01/23/530020123.db2.gz XJPSJFRWYVPMQG-JGVFFNPUSA-N 1 2 292.361 -1.417 20 0 CAADLO CNS(=O)(=O)N1CC[NH+](C[C@H]2COCCO2)CC1 ZINC000351933601 530020913 /nfs/dbraw/zinc/02/09/13/530020913.db2.gz CRFLDTWGVGCNFY-JTQLQIEISA-N 1 2 279.362 -1.516 20 0 CAADLO CNS(=O)(=O)N1CC[NH+](C[C@@H]2COCCO2)CC1 ZINC000351933602 530020997 /nfs/dbraw/zinc/02/09/97/530020997.db2.gz CRFLDTWGVGCNFY-SNVBAGLBSA-N 1 2 279.362 -1.516 20 0 CAADLO CNS(=O)(=O)NC[C@](C)(O)C[NH+]1CCOCC1 ZINC000351945962 530023398 /nfs/dbraw/zinc/02/33/98/530023398.db2.gz WDACKOJXPCQCQP-VIFPVBQESA-N 1 2 267.351 -1.877 20 0 CAADLO Cc1ncc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)CC(N)=O)C2)o1 ZINC001191989056 781924959 /nfs/dbraw/zinc/92/49/59/781924959.db2.gz WNGZMUVRBJJEMQ-NXEZZACHSA-N 1 2 282.300 -1.480 20 0 CAADLO CN1C(=O)CC[C@@H](NC(=O)NCC[NH+]2CCOCC2)C1=O ZINC000333260075 530040883 /nfs/dbraw/zinc/04/08/83/530040883.db2.gz ISISUDSVXRLJEM-SNVBAGLBSA-N 1 2 298.343 -1.235 20 0 CAADLO C[NH+]1CCN(C(=O)C(=O)N2C[C@@H](CO)OC(C)(C)C2)CC1 ZINC000422116375 530066383 /nfs/dbraw/zinc/06/63/83/530066383.db2.gz OCAIOPPIQJPPKX-NSHDSACASA-N 1 2 299.371 -1.241 20 0 CAADLO CN1CCCN(C[C@@H](O)C[NH+]2CCOCC2)CC1=O ZINC000191096268 530053703 /nfs/dbraw/zinc/05/37/03/530053703.db2.gz YEZVIQWJHVXZRV-LBPRGKRZSA-N 1 2 271.361 -1.156 20 0 CAADLO Cc1ncc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)CC(N)=O)C2)o1 ZINC001191989056 781924965 /nfs/dbraw/zinc/92/49/65/781924965.db2.gz WNGZMUVRBJJEMQ-NXEZZACHSA-N 1 2 282.300 -1.480 20 0 CAADLO C[N@@H+]1CCO[C@H]2CCN(CCNS(C)(=O)=O)C[C@@H]21 ZINC000332685545 290113824 /nfs/dbraw/zinc/11/38/24/290113824.db2.gz OKCTZQNJKVEPSH-QWRGUYRKSA-N 1 2 277.390 -1.060 20 0 CAADLO C[N@H+]1CCO[C@H]2CCN(CCNS(C)(=O)=O)C[C@@H]21 ZINC000332685545 290113829 /nfs/dbraw/zinc/11/38/29/290113829.db2.gz OKCTZQNJKVEPSH-QWRGUYRKSA-N 1 2 277.390 -1.060 20 0 CAADLO Cn1nnnc1CC[NH+]1CCN(CC(N)=O)CC1 ZINC001191920649 781925777 /nfs/dbraw/zinc/92/57/77/781925777.db2.gz KWRKGYXXBWPUTQ-UHFFFAOYSA-N 1 2 253.310 -2.145 20 0 CAADLO CC[C@@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC(N)=O)C1 ZINC001191987851 781925878 /nfs/dbraw/zinc/92/58/78/781925878.db2.gz LJSLHXUUKWCKKV-GJMOJQLCSA-N 1 2 272.305 -2.713 20 0 CAADLO CC[C@@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)CC(N)=O)C1 ZINC001191987851 781925884 /nfs/dbraw/zinc/92/58/84/781925884.db2.gz LJSLHXUUKWCKKV-GJMOJQLCSA-N 1 2 272.305 -2.713 20 0 CAADLO CCCCOCC(=O)N[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@H]1O ZINC001191995364 781926923 /nfs/dbraw/zinc/92/69/23/781926923.db2.gz JTIPADLAGIXSHB-GRYCIOLGSA-N 1 2 299.371 -1.147 20 0 CAADLO CCCCOCC(=O)N[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@H]1O ZINC001191995364 781926931 /nfs/dbraw/zinc/92/69/31/781926931.db2.gz JTIPADLAGIXSHB-GRYCIOLGSA-N 1 2 299.371 -1.147 20 0 CAADLO Cn1cncc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC(N)=O)C1 ZINC001191967011 781927507 /nfs/dbraw/zinc/92/75/07/781927507.db2.gz DGUXUKVOKIINAH-NXEZZACHSA-N 1 2 281.316 -2.043 20 0 CAADLO NC(=O)CC(=O)N[C@@H]1C[N@H+](C/C=C\Cl)C[C@H]1O ZINC001191994616 781927380 /nfs/dbraw/zinc/92/73/80/781927380.db2.gz AFAZEACRKLHGTQ-LQKKCHKWSA-N 1 2 261.709 -1.224 20 0 CAADLO NC(=O)CC(=O)N[C@@H]1C[N@@H+](C/C=C\Cl)C[C@H]1O ZINC001191994616 781927391 /nfs/dbraw/zinc/92/73/91/781927391.db2.gz AFAZEACRKLHGTQ-LQKKCHKWSA-N 1 2 261.709 -1.224 20 0 CAADLO Cn1cncc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)CC(N)=O)C1 ZINC001191967011 781927517 /nfs/dbraw/zinc/92/75/17/781927517.db2.gz DGUXUKVOKIINAH-NXEZZACHSA-N 1 2 281.316 -2.043 20 0 CAADLO Cn1c[nH+]cc1CN1C[C@@H](O)[C@H](NC(=O)CC(N)=O)C1 ZINC001191967011 781927521 /nfs/dbraw/zinc/92/75/21/781927521.db2.gz DGUXUKVOKIINAH-NXEZZACHSA-N 1 2 281.316 -2.043 20 0 CAADLO CNC(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC(N)=O)C1 ZINC001191967823 781927666 /nfs/dbraw/zinc/92/76/66/781927666.db2.gz UDEIHSIUFOTWKV-RNFRBKRXSA-N 1 2 258.278 -3.231 20 0 CAADLO CNC(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CC(N)=O)C1 ZINC001191967823 781927674 /nfs/dbraw/zinc/92/76/74/781927674.db2.gz UDEIHSIUFOTWKV-RNFRBKRXSA-N 1 2 258.278 -3.231 20 0 CAADLO COC(C[NH+]1CCN(CCS(N)(=O)=O)CC1)OC ZINC001191968920 781927883 /nfs/dbraw/zinc/92/78/83/781927883.db2.gz KGXPXGIJPHWITG-UHFFFAOYSA-N 1 2 281.378 -1.489 20 0 CAADLO C[C@@H](C(=O)NC1CC1)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC(N)=O)C1 ZINC001191995974 781928088 /nfs/dbraw/zinc/92/80/88/781928088.db2.gz XODCGCGFBFYPNM-FXBDTBDDSA-N 1 2 298.343 -2.310 20 0 CAADLO C[C@@H](C(=O)NC1CC1)[N@H+]1C[C@@H](O)[C@H](NC(=O)CC(N)=O)C1 ZINC001191995974 781928099 /nfs/dbraw/zinc/92/80/99/781928099.db2.gz XODCGCGFBFYPNM-FXBDTBDDSA-N 1 2 298.343 -2.310 20 0 CAADLO CN(C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC(N)=O)C1)C1CC1 ZINC001191967586 781928575 /nfs/dbraw/zinc/92/85/75/781928575.db2.gz NDAPLIAJYODLMD-NXEZZACHSA-N 1 2 298.343 -2.356 20 0 CAADLO CN(C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CC(N)=O)C1)C1CC1 ZINC001191967586 781928580 /nfs/dbraw/zinc/92/85/80/781928580.db2.gz NDAPLIAJYODLMD-NXEZZACHSA-N 1 2 298.343 -2.356 20 0 CAADLO C[C@H](C(=O)N[C@H](CO)C[NH+]1CCCC1)S(C)(=O)=O ZINC000673533839 545595313 /nfs/dbraw/zinc/59/53/13/545595313.db2.gz VQNRHYJNJUXGAT-ZJUUUORDSA-N 1 2 278.374 -1.008 20 0 CAADLO C[NH+](C)C[C@H](CO)NC(=O)CCCS(C)(=O)=O ZINC000673519681 545595038 /nfs/dbraw/zinc/59/50/38/545595038.db2.gz DHTJSPBERACVBL-SECBINFHSA-N 1 2 266.363 -1.150 20 0 CAADLO C[NH+](C)C[C@@H](CO)NC(=O)[C@@H]1CCCCS1(=O)=O ZINC000673521308 545595100 /nfs/dbraw/zinc/59/51/00/545595100.db2.gz PWRFNDXDISOLQA-UWVGGRQHSA-N 1 2 278.374 -1.008 20 0 CAADLO CNC(=O)CCCC(=O)N[C@H](CO)C[NH+]1CCOCC1 ZINC000673441815 545594887 /nfs/dbraw/zinc/59/48/87/545594887.db2.gz CCICLCWPKGWCLS-NSHDSACASA-N 1 2 287.360 -1.288 20 0 CAADLO C[C@H](C(=O)N[C@@H](CO)C[NH+]1CCCC1)S(C)(=O)=O ZINC000673533803 545595203 /nfs/dbraw/zinc/59/52/03/545595203.db2.gz VQNRHYJNJUXGAT-NXEZZACHSA-N 1 2 278.374 -1.008 20 0 CAADLO O=C(N[C@H](CO)C[NH+]1CCOCC1)[C@H]1CCCCC(=O)N1 ZINC000424527323 295836281 /nfs/dbraw/zinc/83/62/81/295836281.db2.gz DXHWMQDMLQTJTL-NWDGAFQWSA-N 1 2 299.371 -1.146 20 0 CAADLO C[NH+](C)C[C@@H](CO)NC(=O)[C@H]1CCCCS1(=O)=O ZINC000673521309 545595718 /nfs/dbraw/zinc/59/57/18/545595718.db2.gz PWRFNDXDISOLQA-VHSXEESVSA-N 1 2 278.374 -1.008 20 0 CAADLO CCCS(=O)(=O)CC(=O)N[C@H](CO)C[NH+](C)C ZINC000673523814 545595660 /nfs/dbraw/zinc/59/56/60/545595660.db2.gz LLNRHBBNWIMAMG-VIFPVBQESA-N 1 2 266.363 -1.150 20 0 CAADLO CN(CC[NH+]1CCOCC1)C(=O)c1nc2n(n1)CCCN2 ZINC000673925908 545596007 /nfs/dbraw/zinc/59/60/07/545596007.db2.gz LTSVNJFYFJBPKP-UHFFFAOYSA-N 1 2 294.359 -1.245 20 0 CAADLO NC(=O)CC(=O)N[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@H]1O ZINC001191978711 781929586 /nfs/dbraw/zinc/92/95/86/781929586.db2.gz NIGHXRIPPATUPN-GJMOJQLCSA-N 1 2 270.289 -3.088 20 0 CAADLO NC(=O)CC(=O)N[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@H]1O ZINC001191978711 781929590 /nfs/dbraw/zinc/92/95/90/781929590.db2.gz NIGHXRIPPATUPN-GJMOJQLCSA-N 1 2 270.289 -3.088 20 0 CAADLO C[N@H+](CC(=O)N1CCNC(=O)C1)Cc1cn[nH]c1 ZINC000673926930 545596789 /nfs/dbraw/zinc/59/67/89/545596789.db2.gz CAIGDRLOVFNAAL-UHFFFAOYSA-N 1 2 251.290 -1.200 20 0 CAADLO C[N@@H+](CC(=O)N1CCNC(=O)C1)Cc1cn[nH]c1 ZINC000673926930 545596790 /nfs/dbraw/zinc/59/67/90/545596790.db2.gz CAIGDRLOVFNAAL-UHFFFAOYSA-N 1 2 251.290 -1.200 20 0 CAADLO C[C@@H](C(=O)NCCN1CCS(=O)(=O)CC1)[NH+](C)C ZINC000674287108 545597230 /nfs/dbraw/zinc/59/72/30/545597230.db2.gz UGMSNVMRXCXMJI-JTQLQIEISA-N 1 2 277.390 -1.217 20 0 CAADLO C[C@H](C(=O)N(C)CC(=O)NC1CC1)[N@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000674306453 545597543 /nfs/dbraw/zinc/59/75/43/545597543.db2.gz XMXOGDJZCSYEGA-IEBDPFPHSA-N 1 2 285.344 -1.851 20 0 CAADLO C[C@H](C(=O)N(C)CC(=O)NC1CC1)[N@@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000674306453 545597547 /nfs/dbraw/zinc/59/75/47/545597547.db2.gz XMXOGDJZCSYEGA-IEBDPFPHSA-N 1 2 285.344 -1.851 20 0 CAADLO C[C@@H](C(=O)N(C)CC(=O)NC1CC1)[N@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000674306454 545597758 /nfs/dbraw/zinc/59/77/58/545597758.db2.gz XMXOGDJZCSYEGA-INTQDDNPSA-N 1 2 285.344 -1.851 20 0 CAADLO C[C@@H](C(=O)N(C)CC(=O)NC1CC1)[N@@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000674306454 545597761 /nfs/dbraw/zinc/59/77/61/545597761.db2.gz XMXOGDJZCSYEGA-INTQDDNPSA-N 1 2 285.344 -1.851 20 0 CAADLO CCN1C(=O)[C@H]2C[N@H+](CC(=O)NC)CCN2C1=O ZINC000674470219 545598494 /nfs/dbraw/zinc/59/84/94/545598494.db2.gz QTIMMSLQWQGJAO-MRVPVSSYSA-N 1 2 254.290 -1.299 20 0 CAADLO CCN1C(=O)[C@H]2C[N@@H+](CC(=O)NC)CCN2C1=O ZINC000674470219 545598504 /nfs/dbraw/zinc/59/85/04/545598504.db2.gz QTIMMSLQWQGJAO-MRVPVSSYSA-N 1 2 254.290 -1.299 20 0 CAADLO CCN1C(=O)[C@@H]2C[N@H+](CC(=O)NC)CCN2C1=O ZINC000674470224 545599017 /nfs/dbraw/zinc/59/90/17/545599017.db2.gz QTIMMSLQWQGJAO-QMMMGPOBSA-N 1 2 254.290 -1.299 20 0 CAADLO CCN1C(=O)[C@@H]2C[N@@H+](CC(=O)NC)CCN2C1=O ZINC000674470224 545599019 /nfs/dbraw/zinc/59/90/19/545599019.db2.gz QTIMMSLQWQGJAO-QMMMGPOBSA-N 1 2 254.290 -1.299 20 0 CAADLO CC(C)(C)NC(=O)CNC(=O)C[N@H+]1C[C@H](O)C[C@H](O)C1 ZINC000674498692 545599268 /nfs/dbraw/zinc/59/92/68/545599268.db2.gz UFPQUIFZPNZDMV-AOOOYVTPSA-N 1 2 287.360 -1.555 20 0 CAADLO CC(C)(C)NC(=O)CNC(=O)C[N@@H+]1C[C@H](O)C[C@H](O)C1 ZINC000674498692 545599270 /nfs/dbraw/zinc/59/92/70/545599270.db2.gz UFPQUIFZPNZDMV-AOOOYVTPSA-N 1 2 287.360 -1.555 20 0 CAADLO CCN1C(=O)[C@H]2C[N@@H+]([C@H](C)C(N)=O)CCN2C1=O ZINC000674470529 545599358 /nfs/dbraw/zinc/59/93/58/545599358.db2.gz XTOBSQCNVVKOEG-HTQZYQBOSA-N 1 2 254.290 -1.172 20 0 CAADLO CCN1C(=O)[C@H]2C[N@H+]([C@H](C)C(N)=O)CCN2C1=O ZINC000674470529 545599362 /nfs/dbraw/zinc/59/93/62/545599362.db2.gz XTOBSQCNVVKOEG-HTQZYQBOSA-N 1 2 254.290 -1.172 20 0 CAADLO O=C(CN1CC(=O)NC1=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000675218626 545599983 /nfs/dbraw/zinc/59/99/83/545599983.db2.gz RCGXKHACYYJGLD-JTQLQIEISA-N 1 2 296.327 -1.529 20 0 CAADLO CC(C)NC(=O)C[N@H+](C)CC(=O)N1C[C@H](O)C[C@H](O)C1 ZINC000674808092 545599802 /nfs/dbraw/zinc/59/98/02/545599802.db2.gz QQGJJOFJNYIRFC-PHIMTYICSA-N 1 2 287.360 -1.603 20 0 CAADLO CC(C)NC(=O)C[N@@H+](C)CC(=O)N1C[C@H](O)C[C@H](O)C1 ZINC000674808092 545599804 /nfs/dbraw/zinc/59/98/04/545599804.db2.gz QQGJJOFJNYIRFC-PHIMTYICSA-N 1 2 287.360 -1.603 20 0 CAADLO COC(=O)CCNC(=O)C[N@@H+]1CCNC(=O)CC1 ZINC000331934451 291038370 /nfs/dbraw/zinc/03/83/70/291038370.db2.gz HVALFSOLYWKRCF-UHFFFAOYSA-N 1 2 257.290 -1.512 20 0 CAADLO COC(=O)CCNC(=O)C[N@H+]1CCNC(=O)CC1 ZINC000331934451 291038372 /nfs/dbraw/zinc/03/83/72/291038372.db2.gz HVALFSOLYWKRCF-UHFFFAOYSA-N 1 2 257.290 -1.512 20 0 CAADLO COC(=O)CCNC(=O)C[N@@H+]1CCC[C@H]2C(=O)NC[C@H]21 ZINC000366907015 291038878 /nfs/dbraw/zinc/03/88/78/291038878.db2.gz AKHGOSDZXMAOSE-NXEZZACHSA-N 1 2 283.328 -1.124 20 0 CAADLO COC(=O)CCNC(=O)C[N@H+]1CCC[C@H]2C(=O)NC[C@H]21 ZINC000366907015 291038879 /nfs/dbraw/zinc/03/88/79/291038879.db2.gz AKHGOSDZXMAOSE-NXEZZACHSA-N 1 2 283.328 -1.124 20 0 CAADLO COC(=O)CCNC(=O)C[N@@H+]1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000347096583 291041050 /nfs/dbraw/zinc/04/10/50/291041050.db2.gz IBDOBSBJRFBNSZ-BDAKNGLRSA-N 1 2 287.316 -1.760 20 0 CAADLO COC(=O)CCNC(=O)C[N@H+]1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000347096583 291041052 /nfs/dbraw/zinc/04/10/52/291041052.db2.gz IBDOBSBJRFBNSZ-BDAKNGLRSA-N 1 2 287.316 -1.760 20 0 CAADLO C[C@H](NS(=O)(=O)N1CCOCC1)[C@@H]1C[N@H+](C)CCO1 ZINC000676237352 545601135 /nfs/dbraw/zinc/60/11/35/545601135.db2.gz JCHSUOCZUGYEGM-QWRGUYRKSA-N 1 2 293.389 -1.128 20 0 CAADLO C[C@H](NS(=O)(=O)N1CCOCC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676237352 545601139 /nfs/dbraw/zinc/60/11/39/545601139.db2.gz JCHSUOCZUGYEGM-QWRGUYRKSA-N 1 2 293.389 -1.128 20 0 CAADLO CCN1C(=O)[C@H]2C[N@@H+]([C@H]3CCNC3=O)CCN2C1=O ZINC000676241220 545601781 /nfs/dbraw/zinc/60/17/81/545601781.db2.gz JDZWPMGVEJEDGY-DTWKUNHWSA-N 1 2 266.301 -1.157 20 0 CAADLO CCN1C(=O)[C@H]2C[N@H+]([C@H]3CCNC3=O)CCN2C1=O ZINC000676241220 545601783 /nfs/dbraw/zinc/60/17/83/545601783.db2.gz JDZWPMGVEJEDGY-DTWKUNHWSA-N 1 2 266.301 -1.157 20 0 CAADLO Cn1ccc(C[N@@H+]2CCN3C(=O)C(=O)NC[C@H]3C2)cc1=O ZINC000675894048 545601548 /nfs/dbraw/zinc/60/15/48/545601548.db2.gz ZDVDNFPOOHBQOT-NSHDSACASA-N 1 2 290.323 -1.472 20 0 CAADLO Cn1ccc(C[N@H+]2CCN3C(=O)C(=O)NC[C@H]3C2)cc1=O ZINC000675894048 545601552 /nfs/dbraw/zinc/60/15/52/545601552.db2.gz ZDVDNFPOOHBQOT-NSHDSACASA-N 1 2 290.323 -1.472 20 0 CAADLO C[C@@H](NS(=O)(=O)N1CCOCC1)[C@H]1C[N@H+](C)CCO1 ZINC000676237350 545601560 /nfs/dbraw/zinc/60/15/60/545601560.db2.gz JCHSUOCZUGYEGM-GHMZBOCLSA-N 1 2 293.389 -1.128 20 0 CAADLO C[C@@H](NS(=O)(=O)N1CCOCC1)[C@H]1C[N@@H+](C)CCO1 ZINC000676237350 545601564 /nfs/dbraw/zinc/60/15/64/545601564.db2.gz JCHSUOCZUGYEGM-GHMZBOCLSA-N 1 2 293.389 -1.128 20 0 CAADLO CCN1C(=O)[C@@H]2C[N@@H+]([C@@H]3CCNC3=O)CCN2C1=O ZINC000676241219 545601655 /nfs/dbraw/zinc/60/16/55/545601655.db2.gz JDZWPMGVEJEDGY-BDAKNGLRSA-N 1 2 266.301 -1.157 20 0 CAADLO CCN1C(=O)[C@@H]2C[N@H+]([C@@H]3CCNC3=O)CCN2C1=O ZINC000676241219 545601660 /nfs/dbraw/zinc/60/16/60/545601660.db2.gz JDZWPMGVEJEDGY-BDAKNGLRSA-N 1 2 266.301 -1.157 20 0 CAADLO CCC[N@H+](CC(=O)NCC(=O)OC)[C@H]1CC(=O)N(C)C1=O ZINC000282489676 283103864 /nfs/dbraw/zinc/10/38/64/283103864.db2.gz MKCNBLWFOIINGI-VIFPVBQESA-N 1 2 299.327 -1.255 20 0 CAADLO CCC[N@@H+](CC(=O)NCC(=O)OC)[C@H]1CC(=O)N(C)C1=O ZINC000282489676 283103866 /nfs/dbraw/zinc/10/38/66/283103866.db2.gz MKCNBLWFOIINGI-VIFPVBQESA-N 1 2 299.327 -1.255 20 0 CAADLO CNS(=O)(=O)CC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000676388954 545601942 /nfs/dbraw/zinc/60/19/42/545601942.db2.gz ZUXTXCQYRCEFSE-SNVBAGLBSA-N 1 2 291.373 -1.531 20 0 CAADLO COC(=O)CNC(=O)C[N@H+](C)[C@@H]1CCCCNC1=O ZINC000363511138 291087934 /nfs/dbraw/zinc/08/79/34/291087934.db2.gz HBTVKUKQHPBHLU-SECBINFHSA-N 1 2 271.317 -1.124 20 0 CAADLO COC(=O)CNC(=O)C[N@@H+](C)[C@@H]1CCCCNC1=O ZINC000363511138 291087935 /nfs/dbraw/zinc/08/79/35/291087935.db2.gz HBTVKUKQHPBHLU-SECBINFHSA-N 1 2 271.317 -1.124 20 0 CAADLO COC(=O)CNC(=O)C[N@@H+]1C[C@@H]2CCC[C@@H]2[C@H]1C(N)=O ZINC000368975380 291089140 /nfs/dbraw/zinc/08/91/40/291089140.db2.gz QYJYIVXMDSUNTI-AUTRQRHGSA-N 1 2 283.328 -1.139 20 0 CAADLO COC(=O)CNC(=O)C[N@H+]1C[C@@H]2CCC[C@@H]2[C@H]1C(N)=O ZINC000368975380 291089144 /nfs/dbraw/zinc/08/91/44/291089144.db2.gz QYJYIVXMDSUNTI-AUTRQRHGSA-N 1 2 283.328 -1.139 20 0 CAADLO COC(=O)CNC(=O)[C@H](C)[N@@H+]1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000268482688 291091627 /nfs/dbraw/zinc/09/16/27/291091627.db2.gz SISMMJSTVMVXJU-VGMNWLOBSA-N 1 2 287.316 -1.761 20 0 CAADLO COC(=O)CNC(=O)[C@H](C)[N@H+]1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000268482688 291091631 /nfs/dbraw/zinc/09/16/31/291091631.db2.gz SISMMJSTVMVXJU-VGMNWLOBSA-N 1 2 287.316 -1.761 20 0 CAADLO O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)c1ncn[nH]1 ZINC000676527937 545603084 /nfs/dbraw/zinc/60/30/84/545603084.db2.gz JFFUGDXPODYFTD-LLVKDONJSA-N 1 2 294.359 -1.059 20 0 CAADLO O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)c1ncn[nH]1 ZINC000676527937 545603094 /nfs/dbraw/zinc/60/30/94/545603094.db2.gz JFFUGDXPODYFTD-LLVKDONJSA-N 1 2 294.359 -1.059 20 0 CAADLO O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)c1nc[nH]n1 ZINC000676527937 545603100 /nfs/dbraw/zinc/60/31/00/545603100.db2.gz JFFUGDXPODYFTD-LLVKDONJSA-N 1 2 294.359 -1.059 20 0 CAADLO O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)c1nc[nH]n1 ZINC000676527937 545603104 /nfs/dbraw/zinc/60/31/04/545603104.db2.gz JFFUGDXPODYFTD-LLVKDONJSA-N 1 2 294.359 -1.059 20 0 CAADLO NC(=O)C1(C(=O)NC[C@H]2C[NH+]3CCN2CC3)CC1 ZINC000676587459 545603450 /nfs/dbraw/zinc/60/34/50/545603450.db2.gz DVQDLFCYGOHTIA-VIFPVBQESA-N 1 2 252.318 -1.632 20 0 CAADLO COC(=O)C[C@@H]1C(=O)NCC[N@H+]1C[C@](C)(O)C(=O)OC ZINC000429711721 291114627 /nfs/dbraw/zinc/11/46/27/291114627.db2.gz AKTBTFXPURFLKZ-PELKAZGASA-N 1 2 288.300 -1.726 20 0 CAADLO COC(=O)C[C@@H]1C(=O)NCC[N@@H+]1C[C@](C)(O)C(=O)OC ZINC000429711721 291114630 /nfs/dbraw/zinc/11/46/30/291114630.db2.gz AKTBTFXPURFLKZ-PELKAZGASA-N 1 2 288.300 -1.726 20 0 CAADLO C[N@H+](CCCS(C)(=O)=O)[C@H]1CCN(C(=O)C(N)=O)C1 ZINC001192072321 781935448 /nfs/dbraw/zinc/93/54/48/781935448.db2.gz DENUJGPRWAVKQE-VIFPVBQESA-N 1 2 291.373 -1.561 20 0 CAADLO C[N@@H+](CCCS(C)(=O)=O)[C@H]1CCN(C(=O)C(N)=O)C1 ZINC001192072321 781935457 /nfs/dbraw/zinc/93/54/57/781935457.db2.gz DENUJGPRWAVKQE-VIFPVBQESA-N 1 2 291.373 -1.561 20 0 CAADLO CN(CC(=O)NC[C@@H]1C[NH+]2CCN1CC2)C(=O)C1CC1 ZINC000676587515 545603627 /nfs/dbraw/zinc/60/36/27/545603627.db2.gz IWLJYSUITNQNDY-GFCCVEGCSA-N 1 2 280.372 -1.029 20 0 CAADLO CNC(=O)NC(=O)CN1CC[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000332701450 283355959 /nfs/dbraw/zinc/35/59/59/283355959.db2.gz VMFYTSZRTUNHOH-VHSXEESVSA-N 1 2 270.333 -1.153 20 0 CAADLO CNC(=O)NC(=O)CN1CC[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000332701450 283355960 /nfs/dbraw/zinc/35/59/60/283355960.db2.gz VMFYTSZRTUNHOH-VHSXEESVSA-N 1 2 270.333 -1.153 20 0 CAADLO CNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCN2C(=O)OC[C@@H]2C1 ZINC000370558389 283360515 /nfs/dbraw/zinc/36/05/15/283360515.db2.gz PEQCYWZONFEEAM-SFYZADRCSA-N 1 2 270.289 -1.033 20 0 CAADLO CNC(=O)NC(=O)[C@@H](C)[N@H+]1CCN2C(=O)OC[C@@H]2C1 ZINC000370558389 283360518 /nfs/dbraw/zinc/36/05/18/283360518.db2.gz PEQCYWZONFEEAM-SFYZADRCSA-N 1 2 270.289 -1.033 20 0 CAADLO C/C=C(\C)C(=O)N[C@@H]1C[N@@H+]([C@H](C)C(N)=O)C[C@H]1O ZINC001192127493 781936015 /nfs/dbraw/zinc/93/60/15/781936015.db2.gz IFSVSVSZPGOBNO-KTMBLFECSA-N 1 2 255.318 -1.012 20 0 CAADLO C/C=C(\C)C(=O)N[C@@H]1C[N@H+]([C@H](C)C(N)=O)C[C@H]1O ZINC001192127493 781936021 /nfs/dbraw/zinc/93/60/21/781936021.db2.gz IFSVSVSZPGOBNO-KTMBLFECSA-N 1 2 255.318 -1.012 20 0 CAADLO CNC(=O)N[C@@H]1CC[N@@H+]([C@@H]2CC(=O)N(C)C2=O)C1 ZINC000342455997 283374629 /nfs/dbraw/zinc/37/46/29/283374629.db2.gz RGOTUOFPZLNUKS-HTQZYQBOSA-N 1 2 254.290 -1.253 20 0 CAADLO CNC(=O)N[C@@H]1CC[N@H+]([C@@H]2CC(=O)N(C)C2=O)C1 ZINC000342455997 283374630 /nfs/dbraw/zinc/37/46/30/283374630.db2.gz RGOTUOFPZLNUKS-HTQZYQBOSA-N 1 2 254.290 -1.253 20 0 CAADLO CCCNS(=O)(=O)NC[C@@](C)(O)C[NH+]1CCOCC1 ZINC000489605575 283393892 /nfs/dbraw/zinc/39/38/92/283393892.db2.gz ZSYGLWNJMILPHD-LLVKDONJSA-N 1 2 295.405 -1.096 20 0 CAADLO C/C=C(\C)C(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(N)=O)C[C@H]1O ZINC001192127491 781937290 /nfs/dbraw/zinc/93/72/90/781937290.db2.gz IFSVSVSZPGOBNO-CAIXSRENSA-N 1 2 255.318 -1.012 20 0 CAADLO C/C=C(\C)C(=O)N[C@@H]1C[N@H+]([C@@H](C)C(N)=O)C[C@H]1O ZINC001192127491 781937298 /nfs/dbraw/zinc/93/72/98/781937298.db2.gz IFSVSVSZPGOBNO-CAIXSRENSA-N 1 2 255.318 -1.012 20 0 CAADLO C/C=C(\C)C(=O)N[C@@H]1C[N@@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1O ZINC001192128563 781937622 /nfs/dbraw/zinc/93/76/22/781937622.db2.gz WRKIUTOXTRICSO-WJTVPULKSA-N 1 2 295.339 -1.081 20 0 CAADLO C/C=C(\C)C(=O)N[C@@H]1C[N@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1O ZINC001192128563 781937631 /nfs/dbraw/zinc/93/76/31/781937631.db2.gz WRKIUTOXTRICSO-WJTVPULKSA-N 1 2 295.339 -1.081 20 0 CAADLO CC(C)(C)OCC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@H]1O ZINC001192382668 781942491 /nfs/dbraw/zinc/94/24/91/781942491.db2.gz QQPMNVKOANTHNC-GMTAPVOTSA-N 1 2 299.371 -1.149 20 0 CAADLO CC(C)(C)OCC(=O)N[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@H]1O ZINC001192382668 781942498 /nfs/dbraw/zinc/94/24/98/781942498.db2.gz QQPMNVKOANTHNC-GMTAPVOTSA-N 1 2 299.371 -1.149 20 0 CAADLO CNC(=O)CC(=O)N[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@H]1O ZINC001192437358 781943973 /nfs/dbraw/zinc/94/39/73/781943973.db2.gz BCEPRVZJZUZBEX-HRDYMLBCSA-N 1 2 284.316 -2.828 20 0 CAADLO CNC(=O)CC(=O)N[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@H]1O ZINC001192437358 781943982 /nfs/dbraw/zinc/94/39/82/781943982.db2.gz BCEPRVZJZUZBEX-HRDYMLBCSA-N 1 2 284.316 -2.828 20 0 CAADLO CNC(=O)CC(=O)N[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]1O ZINC001192437564 781944704 /nfs/dbraw/zinc/94/47/04/781944704.db2.gz FNCOXCWQBXFDGQ-RKDXNWHRSA-N 1 2 286.332 -2.628 20 0 CAADLO CNC(=O)CC(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1O ZINC001192437564 781944707 /nfs/dbraw/zinc/94/47/07/781944707.db2.gz FNCOXCWQBXFDGQ-RKDXNWHRSA-N 1 2 286.332 -2.628 20 0 CAADLO CNC(=O)CC(=O)N[C@@H]1C[N@H+](Cc2cnoc2C)C[C@H]1O ZINC001192453290 781946244 /nfs/dbraw/zinc/94/62/44/781946244.db2.gz KSOYKCYVAUBNCZ-GHMZBOCLSA-N 1 2 296.327 -1.220 20 0 CAADLO CNC(=O)CC(=O)N[C@@H]1C[N@@H+](Cc2cnoc2C)C[C@H]1O ZINC001192453290 781946251 /nfs/dbraw/zinc/94/62/51/781946251.db2.gz KSOYKCYVAUBNCZ-GHMZBOCLSA-N 1 2 296.327 -1.220 20 0 CAADLO CNC(=O)CC(=O)N[C@@H]1C[N@@H+]([C@H]2CCN(C)C2=O)C[C@H]1O ZINC001192463553 781946269 /nfs/dbraw/zinc/94/62/69/781946269.db2.gz WEWPSOWHIWKKIM-KXUCPTDWSA-N 1 2 298.343 -2.486 20 0 CAADLO CNC(=O)CC(=O)N[C@@H]1C[N@H+]([C@H]2CCN(C)C2=O)C[C@H]1O ZINC001192463553 781946275 /nfs/dbraw/zinc/94/62/75/781946275.db2.gz WEWPSOWHIWKKIM-KXUCPTDWSA-N 1 2 298.343 -2.486 20 0 CAADLO CNC(=O)CC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(N)=O)C[C@H]1O ZINC001192453385 781947599 /nfs/dbraw/zinc/94/75/99/781947599.db2.gz LZUBPGZGIGDPGJ-BWZBUEFSSA-N 1 2 272.305 -2.842 20 0 CAADLO CNC(=O)CC(=O)N[C@@H]1C[N@H+]([C@H](C)C(N)=O)C[C@H]1O ZINC001192453385 781947607 /nfs/dbraw/zinc/94/76/07/781947607.db2.gz LZUBPGZGIGDPGJ-BWZBUEFSSA-N 1 2 272.305 -2.842 20 0 CAADLO C[C@H](NC(N)=O)C(=O)N[C@@H]1C[N@H+](C/C=C\Cl)C[C@H]1O ZINC001192445343 781947910 /nfs/dbraw/zinc/94/79/10/781947910.db2.gz VKRQKZMUTILIIP-FUXQNIRESA-N 1 2 290.751 -1.043 20 0 CAADLO C[C@H](NC(N)=O)C(=O)N[C@@H]1C[N@@H+](C/C=C\Cl)C[C@H]1O ZINC001192445343 781947923 /nfs/dbraw/zinc/94/79/23/781947923.db2.gz VKRQKZMUTILIIP-FUXQNIRESA-N 1 2 290.751 -1.043 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC(C)(C)O)C1 ZINC001192581329 781948592 /nfs/dbraw/zinc/94/85/92/781948592.db2.gz YDJVQXOCXHSOPI-IWSPIJDZSA-N 1 2 273.333 -1.818 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)CC(C)(C)O)C1 ZINC001192581329 781948599 /nfs/dbraw/zinc/94/85/99/781948599.db2.gz YDJVQXOCXHSOPI-IWSPIJDZSA-N 1 2 273.333 -1.818 20 0 CAADLO C[C@@H](NC(=O)C[N@H+](C)[C@H]1CCN(C)C1=O)C(=O)N(C)C ZINC000352662353 296046640 /nfs/dbraw/zinc/04/66/40/296046640.db2.gz YNJSYUNGPWTRFM-ZJUUUORDSA-N 1 2 284.360 -1.258 20 0 CAADLO C[C@@H](NC(=O)C[N@@H+](C)[C@H]1CCN(C)C1=O)C(=O)N(C)C ZINC000352662353 296046641 /nfs/dbraw/zinc/04/66/41/296046641.db2.gz YNJSYUNGPWTRFM-ZJUUUORDSA-N 1 2 284.360 -1.258 20 0 CAADLO CC(C)(O)CC(=O)N[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@H]1O ZINC001192607599 781951573 /nfs/dbraw/zinc/95/15/73/781951573.db2.gz PTLRUGIKPANNAM-KXUCPTDWSA-N 1 2 285.344 -1.803 20 0 CAADLO CC(C)(O)CC(=O)N[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@H]1O ZINC001192607599 781951581 /nfs/dbraw/zinc/95/15/81/781951581.db2.gz PTLRUGIKPANNAM-KXUCPTDWSA-N 1 2 285.344 -1.803 20 0 CAADLO CC(C)(O)CC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@H]1O ZINC001192607600 781952075 /nfs/dbraw/zinc/95/20/75/781952075.db2.gz PTLRUGIKPANNAM-OPRDCNLKSA-N 1 2 285.344 -1.803 20 0 CAADLO CC(C)(O)CC(=O)N[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@H]1O ZINC001192607600 781952085 /nfs/dbraw/zinc/95/20/85/781952085.db2.gz PTLRUGIKPANNAM-OPRDCNLKSA-N 1 2 285.344 -1.803 20 0 CAADLO CC(C)(O)CC(=O)N[C@@H]1C[N@@H+]([C@H]2CCCNC2=O)C[C@H]1O ZINC001192607609 781952446 /nfs/dbraw/zinc/95/24/46/781952446.db2.gz QBTRJTYSALESBQ-OUAUKWLOSA-N 1 2 299.371 -1.413 20 0 CAADLO CC(C)(O)CC(=O)N[C@@H]1C[N@H+]([C@H]2CCCNC2=O)C[C@H]1O ZINC001192607609 781952459 /nfs/dbraw/zinc/95/24/59/781952459.db2.gz QBTRJTYSALESBQ-OUAUKWLOSA-N 1 2 299.371 -1.413 20 0 CAADLO CC(C)(O)CC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCCNC2=O)C[C@H]1O ZINC001192607608 781952862 /nfs/dbraw/zinc/95/28/62/781952862.db2.gz QBTRJTYSALESBQ-GMTAPVOTSA-N 1 2 299.371 -1.413 20 0 CAADLO CC(C)(O)CC(=O)N[C@@H]1C[N@H+]([C@@H]2CCCNC2=O)C[C@H]1O ZINC001192607608 781952875 /nfs/dbraw/zinc/95/28/75/781952875.db2.gz QBTRJTYSALESBQ-GMTAPVOTSA-N 1 2 299.371 -1.413 20 0 CAADLO NC(=O)CN1C[C@@H](O)[C@H](NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001192633120 781952893 /nfs/dbraw/zinc/95/28/93/781952893.db2.gz QUCCAVWZJVTBSH-RKDXNWHRSA-N 1 2 281.316 -2.011 20 0 CAADLO [NH3+][C@@H]1NCN(C(=O)c2cc(O)cc(F)c2F)[C@@H]2NCN[C@H]21 ZINC001192684746 781953856 /nfs/dbraw/zinc/95/38/56/781953856.db2.gz VLHDWIULYNUABG-AXFHLTTASA-N 1 2 299.281 -1.197 20 0 CAADLO [NH3+][C@@H]1NCN(C(=O)c2cc(O)cc(F)c2F)[C@@H]2NCN[C@@H]21 ZINC001192684749 781954105 /nfs/dbraw/zinc/95/41/05/781954105.db2.gz VLHDWIULYNUABG-MXWKQRLJSA-N 1 2 299.281 -1.197 20 0 CAADLO CC(C)(NC(=O)C(F)(F)F)C(=O)NCC[NH2+]CC(N)=O ZINC001152054100 781955100 /nfs/dbraw/zinc/95/51/00/781955100.db2.gz PMSMUURIIYZKPH-UHFFFAOYSA-N 1 2 298.265 -1.365 20 0 CAADLO COCC(=O)NC[C@H]1CCC2(C[NH+](CCO)C2)O1 ZINC001273646661 781955769 /nfs/dbraw/zinc/95/57/69/781955769.db2.gz ODTFPVHZRSMWBG-SNVBAGLBSA-N 1 2 258.318 -1.025 20 0 CAADLO O=C(CC1(O)CCC1)N[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@H]1O ZINC001192796511 781955850 /nfs/dbraw/zinc/95/58/50/781955850.db2.gz DCNKHTQYANHABF-OUAUKWLOSA-N 1 2 297.355 -1.659 20 0 CAADLO O=C(CC1(O)CCC1)N[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@H]1O ZINC001192796511 781955856 /nfs/dbraw/zinc/95/58/56/781955856.db2.gz DCNKHTQYANHABF-OUAUKWLOSA-N 1 2 297.355 -1.659 20 0 CAADLO CC[C@@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC2(O)CCC2)C1 ZINC001192784317 781956023 /nfs/dbraw/zinc/95/60/23/781956023.db2.gz JENCTHDOTLPAON-OUAUKWLOSA-N 1 2 299.371 -1.283 20 0 CAADLO CC[C@@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)CC2(O)CCC2)C1 ZINC001192784317 781956030 /nfs/dbraw/zinc/95/60/30/781956030.db2.gz JENCTHDOTLPAON-OUAUKWLOSA-N 1 2 299.371 -1.283 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC2(O)CCC2)C1 ZINC001192785774 781956762 /nfs/dbraw/zinc/95/67/62/781956762.db2.gz YJRNSMQPRFGJRN-GMTAPVOTSA-N 1 2 299.371 -1.413 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CC2(O)CCC2)C1 ZINC001192785774 781956769 /nfs/dbraw/zinc/95/67/69/781956769.db2.gz YJRNSMQPRFGJRN-GMTAPVOTSA-N 1 2 299.371 -1.413 20 0 CAADLO [NH3+][C@@H]1NCN(C(=O)c2c(O)ccc(F)c2F)[C@H]2NCN[C@@H]21 ZINC001192785142 781956898 /nfs/dbraw/zinc/95/68/98/781956898.db2.gz UHSJHPSRLAGTTO-GMTAPVOTSA-N 1 2 299.281 -1.197 20 0 CAADLO C[C@](O)(C[N@@H+]1CCN2C(=O)C(=O)NC[C@H]2C1)C(F)(F)F ZINC000369070962 291341816 /nfs/dbraw/zinc/34/18/16/291341816.db2.gz KYLVTMIDDVDLHI-XVKPBYJWSA-N 1 2 295.261 -1.058 20 0 CAADLO C[C@](O)(C[N@H+]1CCN2C(=O)C(=O)NC[C@H]2C1)C(F)(F)F ZINC000369070962 291341819 /nfs/dbraw/zinc/34/18/19/291341819.db2.gz KYLVTMIDDVDLHI-XVKPBYJWSA-N 1 2 295.261 -1.058 20 0 CAADLO CC(=O)N1CCN(C(=O)C[N@H+]2CCNC(=O)C[C@H]2C)CC1 ZINC000677715381 545605915 /nfs/dbraw/zinc/60/59/15/545605915.db2.gz YQOGNAFJNSUODJ-LLVKDONJSA-N 1 2 296.371 -1.113 20 0 CAADLO CC(=O)N1CCN(C(=O)C[N@@H+]2CCNC(=O)C[C@H]2C)CC1 ZINC000677715381 545605921 /nfs/dbraw/zinc/60/59/21/545605921.db2.gz YQOGNAFJNSUODJ-LLVKDONJSA-N 1 2 296.371 -1.113 20 0 CAADLO CS(=O)(=O)CCCNC(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000677867481 545605748 /nfs/dbraw/zinc/60/57/48/545605748.db2.gz UZCOXAJCDCHSLU-LLVKDONJSA-N 1 2 289.401 -1.073 20 0 CAADLO CS(=O)(=O)CCCNC(=O)[C@H]1C[N@H+]2CCN1CCC2 ZINC000677867481 545605752 /nfs/dbraw/zinc/60/57/52/545605752.db2.gz UZCOXAJCDCHSLU-LLVKDONJSA-N 1 2 289.401 -1.073 20 0 CAADLO CNC(=O)NCC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000677742452 545606058 /nfs/dbraw/zinc/60/60/58/545606058.db2.gz JCMGBVNITIESKD-JTQLQIEISA-N 1 2 270.333 -1.152 20 0 CAADLO C[C@@H](NC(=O)C[N@@H+]1CCNC(=O)C[C@H]1C)C(=O)N(C)C ZINC000677715489 545606578 /nfs/dbraw/zinc/60/65/78/545606578.db2.gz MZAIRNGYEINHDG-NXEZZACHSA-N 1 2 284.360 -1.210 20 0 CAADLO C[C@@H](NC(=O)C[N@H+]1CCNC(=O)C[C@H]1C)C(=O)N(C)C ZINC000677715489 545606581 /nfs/dbraw/zinc/60/65/81/545606581.db2.gz MZAIRNGYEINHDG-NXEZZACHSA-N 1 2 284.360 -1.210 20 0 CAADLO Cn1[nH]cnc1=NC(=O)NC[C@@H]1CN(C)CC[N@@H+]1C ZINC000677797898 545606735 /nfs/dbraw/zinc/60/67/35/545606735.db2.gz KIEQYFVAULCGLW-SECBINFHSA-N 1 2 267.337 -1.396 20 0 CAADLO Cn1[nH]cnc1=NC(=O)NC[C@@H]1CN(C)CC[N@H+]1C ZINC000677797898 545606739 /nfs/dbraw/zinc/60/67/39/545606739.db2.gz KIEQYFVAULCGLW-SECBINFHSA-N 1 2 267.337 -1.396 20 0 CAADLO C[C@H](NC(=O)C[N@@H+]1CCNC(=O)C[C@@H]1C)C(=O)N(C)C ZINC000677715490 545606781 /nfs/dbraw/zinc/60/67/81/545606781.db2.gz MZAIRNGYEINHDG-UWVGGRQHSA-N 1 2 284.360 -1.210 20 0 CAADLO C[C@H](NC(=O)C[N@H+]1CCNC(=O)C[C@@H]1C)C(=O)N(C)C ZINC000677715490 545606786 /nfs/dbraw/zinc/60/67/86/545606786.db2.gz MZAIRNGYEINHDG-UWVGGRQHSA-N 1 2 284.360 -1.210 20 0 CAADLO COC(=O)[C@@H]1CNC(=O)CN1CC[N@@H+]1CCO[C@H](C)C1 ZINC000337362107 284129398 /nfs/dbraw/zinc/12/93/98/284129398.db2.gz HERNPYKWOJLQAN-MNOVXSKESA-N 1 2 285.344 -1.320 20 0 CAADLO COC(=O)[C@@H]1CNC(=O)CN1CC[N@H+]1CCO[C@H](C)C1 ZINC000337362107 284129401 /nfs/dbraw/zinc/12/94/01/284129401.db2.gz HERNPYKWOJLQAN-MNOVXSKESA-N 1 2 285.344 -1.320 20 0 CAADLO COC(=O)[C@@H]1CNC(=O)CN1Cc1[nH+]ccn1C ZINC000447908411 284130805 /nfs/dbraw/zinc/13/08/05/284130805.db2.gz UVMBPTFFNHWJNJ-QMMMGPOBSA-N 1 2 252.274 -1.107 20 0 CAADLO O=C(NCCCc1n[nH]c(=O)[nH]1)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000677903848 545606809 /nfs/dbraw/zinc/60/68/09/545606809.db2.gz YOOUMMMLUVNZKW-JTQLQIEISA-N 1 2 294.359 -1.051 20 0 CAADLO O=C(NCCCc1n[nH]c(=O)[nH]1)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000677903848 545606814 /nfs/dbraw/zinc/60/68/14/545606814.db2.gz YOOUMMMLUVNZKW-JTQLQIEISA-N 1 2 294.359 -1.051 20 0 CAADLO CS(=O)(=O)CCCNC(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000677867482 545606847 /nfs/dbraw/zinc/60/68/47/545606847.db2.gz UZCOXAJCDCHSLU-NSHDSACASA-N 1 2 289.401 -1.073 20 0 CAADLO CS(=O)(=O)CCCNC(=O)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000677867482 545606851 /nfs/dbraw/zinc/60/68/51/545606851.db2.gz UZCOXAJCDCHSLU-NSHDSACASA-N 1 2 289.401 -1.073 20 0 CAADLO COC(=O)[C@@](C)(O)C[N@@H+]1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000330857323 284224968 /nfs/dbraw/zinc/22/49/68/284224968.db2.gz UJWWIDWEPGAFIS-HQJQHLMTSA-N 1 2 271.273 -1.854 20 0 CAADLO COC(=O)[C@@](C)(O)C[N@H+]1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000330857323 284224970 /nfs/dbraw/zinc/22/49/70/284224970.db2.gz UJWWIDWEPGAFIS-HQJQHLMTSA-N 1 2 271.273 -1.854 20 0 CAADLO C[C@@H](O)C(=O)N1CC[NH+]([C@@H]2CCN(C)C2=O)CC1 ZINC000153187740 296168021 /nfs/dbraw/zinc/16/80/21/296168021.db2.gz VGQDFBRIZROFEE-NXEZZACHSA-N 1 2 255.318 -1.258 20 0 CAADLO C[C@@H](O)CN(C(=O)C(=O)N1CC[NH+](C)CC1)[C@H](C)CO ZINC000410865001 296173333 /nfs/dbraw/zinc/17/33/33/296173333.db2.gz NUDBYYRCUIMURB-GHMZBOCLSA-N 1 2 287.360 -1.649 20 0 CAADLO COC(=O)[C@@H]1C[C@@H]1C(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000178609308 291539366 /nfs/dbraw/zinc/53/93/66/291539366.db2.gz FQBMUKZUKXQOPO-OUAUKWLOSA-N 1 2 267.329 -1.089 20 0 CAADLO NC(=O)CN1CCN(C(=O)CCn2cc[nH+]c2)CC1=O ZINC000622691463 372752948 /nfs/dbraw/zinc/75/29/48/372752948.db2.gz MITUYIDRPUHMTI-UHFFFAOYSA-N 1 2 279.300 -1.571 20 0 CAADLO COC[C@H](CCO)NS(=O)(=O)C[C@H]1C[N@H+](C)CCO1 ZINC000632149165 372795920 /nfs/dbraw/zinc/79/59/20/372795920.db2.gz NYRGVZVAYGYMHE-WDEREUQCSA-N 1 2 296.389 -1.366 20 0 CAADLO COC[C@H](CCO)NS(=O)(=O)C[C@H]1C[N@@H+](C)CCO1 ZINC000632149165 372795928 /nfs/dbraw/zinc/79/59/28/372795928.db2.gz NYRGVZVAYGYMHE-WDEREUQCSA-N 1 2 296.389 -1.366 20 0 CAADLO CNC(=O)C[NH+]1CCN(c2ccc(C(=O)NC)nn2)CC1 ZINC000607723148 372776834 /nfs/dbraw/zinc/77/68/34/372776834.db2.gz YUKVTYGOEDAZRD-UHFFFAOYSA-N 1 2 292.343 -1.296 20 0 CAADLO C[N@@H+]1CCOC[C@H]1CNC(=O)NCCN1CCNC(=O)C1 ZINC000624727376 372782153 /nfs/dbraw/zinc/78/21/53/372782153.db2.gz ACBAQCCRWQVYBN-LLVKDONJSA-N 1 2 299.375 -1.952 20 0 CAADLO C[N@H+]1CCOC[C@H]1CNC(=O)NCCN1CCNC(=O)C1 ZINC000624727376 372782164 /nfs/dbraw/zinc/78/21/64/372782164.db2.gz ACBAQCCRWQVYBN-LLVKDONJSA-N 1 2 299.375 -1.952 20 0 CAADLO CN1CCOC[C@H]1CNC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000624732017 372782510 /nfs/dbraw/zinc/78/25/10/372782510.db2.gz NTINTOQUDHKMLK-VXGBXAGGSA-N 1 2 286.376 -1.053 20 0 CAADLO CN1CCOC[C@H]1CNC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000624732017 372782518 /nfs/dbraw/zinc/78/25/18/372782518.db2.gz NTINTOQUDHKMLK-VXGBXAGGSA-N 1 2 286.376 -1.053 20 0 CAADLO CC(C)Nc1nc(NCCO)[nH+]c(NCC2COC2)n1 ZINC000624677213 372782789 /nfs/dbraw/zinc/78/27/89/372782789.db2.gz JKRGJEARMHGKTA-UHFFFAOYSA-N 1 2 282.348 -1.580 20 0 CAADLO CC(C)Nc1nc(NCCO)nc(NCC2COC2)[nH+]1 ZINC000624677213 372782798 /nfs/dbraw/zinc/78/27/98/372782798.db2.gz JKRGJEARMHGKTA-UHFFFAOYSA-N 1 2 282.348 -1.580 20 0 CAADLO CC(C)Nc1nc(NCC2COC2)nc(NCCO)[nH+]1 ZINC000624677213 372782809 /nfs/dbraw/zinc/78/28/09/372782809.db2.gz JKRGJEARMHGKTA-UHFFFAOYSA-N 1 2 282.348 -1.580 20 0 CAADLO C[N@@H+]1CCOC[C@H]1CNC(=O)NCC(=O)NC1CC1 ZINC000624746873 372782832 /nfs/dbraw/zinc/78/28/32/372782832.db2.gz ZPWXJJATAQVMEB-SNVBAGLBSA-N 1 2 270.333 -1.105 20 0 CAADLO C[N@H+]1CCOC[C@H]1CNC(=O)NCC(=O)NC1CC1 ZINC000624746873 372782839 /nfs/dbraw/zinc/78/28/39/372782839.db2.gz ZPWXJJATAQVMEB-SNVBAGLBSA-N 1 2 270.333 -1.105 20 0 CAADLO CC(C)Nc1nc(NCCO)[nH+]c(NC[C@H]2C[C@@H](O)C2)n1 ZINC000624667152 372783147 /nfs/dbraw/zinc/78/31/47/372783147.db2.gz FDNOXWIFNOCJMT-AOOOYVTPSA-N 1 2 296.375 -1.455 20 0 CAADLO CC(C)Nc1nc(NCCO)nc(NC[C@H]2C[C@@H](O)C2)[nH+]1 ZINC000624667152 372783153 /nfs/dbraw/zinc/78/31/53/372783153.db2.gz FDNOXWIFNOCJMT-AOOOYVTPSA-N 1 2 296.375 -1.455 20 0 CAADLO CC(C)Nc1nc(NC[C@H]2C[C@@H](O)C2)nc(NCCO)[nH+]1 ZINC000624667152 372783155 /nfs/dbraw/zinc/78/31/55/372783155.db2.gz FDNOXWIFNOCJMT-AOOOYVTPSA-N 1 2 296.375 -1.455 20 0 CAADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)NCC(=O)NCC(F)F ZINC000624738710 372784357 /nfs/dbraw/zinc/78/43/57/372784357.db2.gz ODZUOOJJYCIECD-QMMMGPOBSA-N 1 2 294.302 -1.003 20 0 CAADLO C[N@H+]1CCOC[C@@H]1CNC(=O)NCC(=O)NCC(F)F ZINC000624738710 372784366 /nfs/dbraw/zinc/78/43/66/372784366.db2.gz ODZUOOJJYCIECD-QMMMGPOBSA-N 1 2 294.302 -1.003 20 0 CAADLO C[C@@H](CNC(=O)NC[C@H]1COCC[N@@H+]1C)S(N)(=O)=O ZINC000624738773 372784423 /nfs/dbraw/zinc/78/44/23/372784423.db2.gz OONJKTKCIAMBRB-IUCAKERBSA-N 1 2 294.377 -1.707 20 0 CAADLO C[C@@H](CNC(=O)NC[C@H]1COCC[N@H+]1C)S(N)(=O)=O ZINC000624738773 372784434 /nfs/dbraw/zinc/78/44/34/372784434.db2.gz OONJKTKCIAMBRB-IUCAKERBSA-N 1 2 294.377 -1.707 20 0 CAADLO Cn1cc(C[N@H+](C)CC(=O)N2CCNC(=O)C2)cn1 ZINC000024240982 372784724 /nfs/dbraw/zinc/78/47/24/372784724.db2.gz DVWBPHRHUATJJL-UHFFFAOYSA-N 1 2 265.317 -1.190 20 0 CAADLO Cn1cc(C[N@@H+](C)CC(=O)N2CCNC(=O)C2)cn1 ZINC000024240982 372784739 /nfs/dbraw/zinc/78/47/39/372784739.db2.gz DVWBPHRHUATJJL-UHFFFAOYSA-N 1 2 265.317 -1.190 20 0 CAADLO CC(C)(C(=O)NC[C@@H](O)Cn1ccnn1)[NH+]1CCOCC1 ZINC000622695134 372785851 /nfs/dbraw/zinc/78/58/51/372785851.db2.gz AWHCNOVNGSQMIR-LLVKDONJSA-N 1 2 297.359 -1.134 20 0 CAADLO C[C@H]1C[N@H+](CCNC(=O)[C@@H]2CC[C@H](C(N)=O)O2)CCO1 ZINC000625027020 372786701 /nfs/dbraw/zinc/78/67/01/372786701.db2.gz PSTLDESRXWPTCH-AXFHLTTASA-N 1 2 285.344 -1.144 20 0 CAADLO C[C@H]1C[N@@H+](CCNC(=O)[C@@H]2CC[C@H](C(N)=O)O2)CCO1 ZINC000625027020 372786706 /nfs/dbraw/zinc/78/67/06/372786706.db2.gz PSTLDESRXWPTCH-AXFHLTTASA-N 1 2 285.344 -1.144 20 0 CAADLO O=C1COCC(=O)N(CCC[NH+]2CCOCC2)N1 ZINC000634616215 372800922 /nfs/dbraw/zinc/80/09/22/372800922.db2.gz DYQJTFQPNITAIA-UHFFFAOYSA-N 1 2 257.290 -1.401 20 0 CAADLO CCOC[C@H](O)C[NH+]1CC(NS(C)(=O)=O)C1 ZINC000634650273 372802751 /nfs/dbraw/zinc/80/27/51/372802751.db2.gz HRSALWKCFWBKFQ-SECBINFHSA-N 1 2 252.336 -1.383 20 0 CAADLO CS(=O)(=O)NC1C[NH+](CC2(O)CCOCC2)C1 ZINC000634650869 372802815 /nfs/dbraw/zinc/80/28/15/372802815.db2.gz XIYJCRFLEHFNCF-UHFFFAOYSA-N 1 2 264.347 -1.239 20 0 CAADLO COCCOC[C@@H](O)C[NH+]1CC(NS(C)(=O)=O)C1 ZINC000634650551 372802859 /nfs/dbraw/zinc/80/28/59/372802859.db2.gz OQKCPVMPYIRUAU-JTQLQIEISA-N 1 2 282.362 -1.756 20 0 CAADLO CS(=O)(=O)NC1C[NH+](C[C@H](O)Cn2cccn2)C1 ZINC000634650936 372802910 /nfs/dbraw/zinc/80/29/10/372802910.db2.gz ZPOPWQCWKBFUPW-JTQLQIEISA-N 1 2 274.346 -1.523 20 0 CAADLO COC[C@@H](C)OC[C@H](O)C[NH+]1CC(NS(C)(=O)=O)C1 ZINC000634650479 372802924 /nfs/dbraw/zinc/80/29/24/372802924.db2.gz MOFXDAZTUVLGRQ-MWLCHTKSSA-N 1 2 296.389 -1.368 20 0 CAADLO CS(=O)(=O)NC1C[NH+](C[C@]2(O)CCCOC2)C1 ZINC000634650622 372803404 /nfs/dbraw/zinc/80/34/04/372803404.db2.gz QMVRQXZYMBRGSU-SNVBAGLBSA-N 1 2 264.347 -1.239 20 0 CAADLO CC(C)N(CC(N)=O)C(=O)CN1CC[NH2+]CC1=O ZINC000236705275 372804670 /nfs/dbraw/zinc/80/46/70/372804670.db2.gz OKHVKHRNQZLOCH-UHFFFAOYSA-N 1 2 256.306 -1.860 20 0 CAADLO Cn1cc(CC[N@@H+]2CCN3C(=O)C(=O)NC[C@@H]3C2)cn1 ZINC000268886902 372804916 /nfs/dbraw/zinc/80/49/16/372804916.db2.gz CGNPVMQGUUGCNI-LLVKDONJSA-N 1 2 277.328 -1.395 20 0 CAADLO Cn1cc(CC[N@H+]2CCN3C(=O)C(=O)NC[C@@H]3C2)cn1 ZINC000268886902 372804921 /nfs/dbraw/zinc/80/49/21/372804921.db2.gz CGNPVMQGUUGCNI-LLVKDONJSA-N 1 2 277.328 -1.395 20 0 CAADLO Cn1cc(CC[N@@H+]2CCN3C(=O)C(=O)NC[C@H]3C2)cn1 ZINC000268886904 372805943 /nfs/dbraw/zinc/80/59/43/372805943.db2.gz CGNPVMQGUUGCNI-NSHDSACASA-N 1 2 277.328 -1.395 20 0 CAADLO Cn1cc(CC[N@H+]2CCN3C(=O)C(=O)NC[C@H]3C2)cn1 ZINC000268886904 372805950 /nfs/dbraw/zinc/80/59/50/372805950.db2.gz CGNPVMQGUUGCNI-NSHDSACASA-N 1 2 277.328 -1.395 20 0 CAADLO NC(=O)[C@@H]1CCC[C@H](NC(=O)CN2CC[NH2+]CC2=O)C1 ZINC000237911259 372810233 /nfs/dbraw/zinc/81/02/33/372810233.db2.gz VGLVMPYFFISDKV-ZJUUUORDSA-N 1 2 282.344 -1.422 20 0 CAADLO NC(=O)NC(=O)C[NH+](CC(=O)NC(N)=O)CC1CCC1 ZINC000031473945 372810675 /nfs/dbraw/zinc/81/06/75/372810675.db2.gz MCMSIPDYWDSCEY-UHFFFAOYSA-N 1 2 285.304 -1.522 20 0 CAADLO COCCOCC[NH+]1CCN(C(=O)[C@H]2CCNC2=O)CC1 ZINC000616580169 372832623 /nfs/dbraw/zinc/83/26/23/372832623.db2.gz ZEQKHLKZAIYHAV-LBPRGKRZSA-N 1 2 299.371 -1.070 20 0 CAADLO CC(=O)N1CC[C@@H](C(=O)N[C@@H](CO)C[NH+]2CCOCC2)C1 ZINC000556804108 372840996 /nfs/dbraw/zinc/84/09/96/372840996.db2.gz IMELRHUWRVFQPG-CHWSQXEVSA-N 1 2 299.371 -1.336 20 0 CAADLO CNC(=O)C[N@H+](C)CC(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000051739722 372847039 /nfs/dbraw/zinc/84/70/39/372847039.db2.gz BRLJUOUPMKHJHX-UHFFFAOYSA-N 1 2 296.371 -1.255 20 0 CAADLO CNC(=O)C[N@@H+](C)CC(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000051739722 372847046 /nfs/dbraw/zinc/84/70/46/372847046.db2.gz BRLJUOUPMKHJHX-UHFFFAOYSA-N 1 2 296.371 -1.255 20 0 CAADLO COC[C@@](C)(O)CNC(=O)C[N@H+](C)CC(=O)NC(C)C ZINC000557711346 372851896 /nfs/dbraw/zinc/85/18/96/372851896.db2.gz INUFCVGIHDSQHV-ZDUSSCGKSA-N 1 2 289.376 -1.044 20 0 CAADLO COC[C@@](C)(O)CNC(=O)C[N@@H+](C)CC(=O)NC(C)C ZINC000557711346 372851907 /nfs/dbraw/zinc/85/19/07/372851907.db2.gz INUFCVGIHDSQHV-ZDUSSCGKSA-N 1 2 289.376 -1.044 20 0 CAADLO COCC[NH+]1CCN(C(=O)CSCC(N)=O)CC1 ZINC000042391330 372863360 /nfs/dbraw/zinc/86/33/60/372863360.db2.gz MRMHFWZVEDLFBN-UHFFFAOYSA-N 1 2 275.374 -1.005 20 0 CAADLO CS(=O)(=O)NCC[N@@H+]1CCC[C@H]1CS(N)(=O)=O ZINC000407950050 372866209 /nfs/dbraw/zinc/86/62/09/372866209.db2.gz SWPNCDVGEGDCMN-QMMMGPOBSA-N 1 2 285.391 -1.712 20 0 CAADLO CS(=O)(=O)NCC[N@H+]1CCC[C@H]1CS(N)(=O)=O ZINC000407950050 372866221 /nfs/dbraw/zinc/86/62/21/372866221.db2.gz SWPNCDVGEGDCMN-QMMMGPOBSA-N 1 2 285.391 -1.712 20 0 CAADLO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1[C@H]1CCNC1=O ZINC000407949872 372866553 /nfs/dbraw/zinc/86/65/53/372866553.db2.gz QQAOWIMQPMZNPG-IUCAKERBSA-N 1 2 261.347 -1.112 20 0 CAADLO CNS(=O)(=O)C[C@@H]1CCC[N@H+]1[C@H]1CCNC1=O ZINC000407949872 372866563 /nfs/dbraw/zinc/86/65/63/372866563.db2.gz QQAOWIMQPMZNPG-IUCAKERBSA-N 1 2 261.347 -1.112 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](Oc2cnn(C)c2)C1 ZINC000625623508 372869903 /nfs/dbraw/zinc/86/99/03/372869903.db2.gz AVSJOURUCAEADI-SZEHBUNVSA-N 1 2 254.290 -1.282 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](Oc2cnn(C)c2)C1 ZINC000625623508 372869934 /nfs/dbraw/zinc/86/99/34/372869934.db2.gz AVSJOURUCAEADI-SZEHBUNVSA-N 1 2 254.290 -1.282 20 0 CAADLO CCNC(=O)C[N@@H+]1C[C@@H](O)[C@H](Oc2cnn(C)c2)C1 ZINC000625622736 372869950 /nfs/dbraw/zinc/86/99/50/372869950.db2.gz OAFOYKDSDKZIDO-GHMZBOCLSA-N 1 2 268.317 -1.020 20 0 CAADLO CCNC(=O)C[N@H+]1C[C@@H](O)[C@H](Oc2cnn(C)c2)C1 ZINC000625622736 372869954 /nfs/dbraw/zinc/86/99/54/372869954.db2.gz OAFOYKDSDKZIDO-GHMZBOCLSA-N 1 2 268.317 -1.020 20 0 CAADLO Cn1cc(O[C@@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@H]2O)cn1 ZINC000625624215 372870080 /nfs/dbraw/zinc/87/00/80/372870080.db2.gz FYWIDLZCHGKQCR-HBNTYKKESA-N 1 2 266.301 -1.268 20 0 CAADLO Cn1cc(O[C@@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]2O)cn1 ZINC000625624215 372870087 /nfs/dbraw/zinc/87/00/87/372870087.db2.gz FYWIDLZCHGKQCR-HBNTYKKESA-N 1 2 266.301 -1.268 20 0 CAADLO Cn1cc(N2CCC[C@@H]([NH+]3C[C@H](O)[C@@H](O)C3)C2=O)cn1 ZINC000625723268 372871772 /nfs/dbraw/zinc/87/17/72/372871772.db2.gz VAENKFDNHKUNKM-WOPDTQHZSA-N 1 2 280.328 -1.047 20 0 CAADLO Cc1cc(N2CC[C@@H]([NH+]3C[C@H](O)[C@@H](O)C3)C2=O)n(C)n1 ZINC000625722547 372871914 /nfs/dbraw/zinc/87/19/14/372871914.db2.gz PMVPQTZFRJPHJP-VWYCJHECSA-N 1 2 280.328 -1.129 20 0 CAADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)N[C@H]1C[C@H](C(N)=O)C1 ZINC000624622975 372874149 /nfs/dbraw/zinc/87/41/49/372874149.db2.gz QRRHCDFBCMTEGQ-GUBZILKMSA-N 1 2 270.333 -1.120 20 0 CAADLO C[N@H+]1CCOC[C@@H]1CNC(=O)N[C@H]1C[C@H](C(N)=O)C1 ZINC000624622975 372874157 /nfs/dbraw/zinc/87/41/57/372874157.db2.gz QRRHCDFBCMTEGQ-GUBZILKMSA-N 1 2 270.333 -1.120 20 0 CAADLO C[N@@H+]1CCOC[C@H]1CNC(=O)N[C@H]1C[C@H](C(N)=O)C1 ZINC000624622976 372874226 /nfs/dbraw/zinc/87/42/26/372874226.db2.gz QRRHCDFBCMTEGQ-OPRDCNLKSA-N 1 2 270.333 -1.120 20 0 CAADLO C[N@H+]1CCOC[C@H]1CNC(=O)N[C@H]1C[C@H](C(N)=O)C1 ZINC000624622976 372874232 /nfs/dbraw/zinc/87/42/32/372874232.db2.gz QRRHCDFBCMTEGQ-OPRDCNLKSA-N 1 2 270.333 -1.120 20 0 CAADLO C[C@@H]1[C@H](Nc2nc(N)nc(N)[nH+]2)CCS1(=O)=O ZINC000624629222 372874406 /nfs/dbraw/zinc/87/44/06/372874406.db2.gz IIKLHDNTQHHJQL-RFZPGFLSSA-N 1 2 258.307 -1.894 20 0 CAADLO CN1CCCC[C@@H]([N@H+](C)CC(=O)N2CCNC(=O)C2)C1=O ZINC000634737259 372876290 /nfs/dbraw/zinc/87/62/90/372876290.db2.gz MSMPUYNCMQVGRS-LLVKDONJSA-N 1 2 296.371 -1.113 20 0 CAADLO CN1CCCC[C@@H]([N@@H+](C)CC(=O)N2CCNC(=O)C2)C1=O ZINC000634737259 372876299 /nfs/dbraw/zinc/87/62/99/372876299.db2.gz MSMPUYNCMQVGRS-LLVKDONJSA-N 1 2 296.371 -1.113 20 0 CAADLO O=C(CN1CC[NH2+]CC1=O)N1CCOCC(F)(F)C1 ZINC000634740175 372878605 /nfs/dbraw/zinc/87/86/05/372878605.db2.gz QNBHRNRFBHKLCM-UHFFFAOYSA-N 1 2 277.271 -1.088 20 0 CAADLO COC1CC(C(=O)NCC(=O)NCC[NH+]2CCOCC2)C1 ZINC000625483620 372861778 /nfs/dbraw/zinc/86/17/78/372861778.db2.gz SHPWNJLEQMWQSE-UHFFFAOYSA-N 1 2 299.371 -1.024 20 0 CAADLO Cn1nc(C(=O)NC[C@@H]2C[NH+]3CCN2CC3)ccc1=O ZINC000090698343 372887979 /nfs/dbraw/zinc/88/79/79/372887979.db2.gz BKMOUQJGJOBIDM-SNVBAGLBSA-N 1 2 277.328 -1.490 20 0 CAADLO CNC(=O)[C@H]1CN(C(=O)[C@H](C)[NH+]2CCOCC2)CCO1 ZINC000408175214 372890395 /nfs/dbraw/zinc/89/03/95/372890395.db2.gz YBXQHAJDCAAEOC-WDEREUQCSA-N 1 2 285.344 -1.320 20 0 CAADLO OCCNc1nc(NCCO)c(Br)c[nH+]1 ZINC000634795860 372894799 /nfs/dbraw/zinc/89/47/99/372894799.db2.gz RQMITLZQYMTONA-UHFFFAOYSA-N 1 2 277.122 -1.109 20 0 CAADLO CS(=O)(=O)NCC[N@@H+]1CCC[C@H](S(N)(=O)=O)C1 ZINC000408197568 372897985 /nfs/dbraw/zinc/89/79/85/372897985.db2.gz ITSFXOFETBLGCD-QMMMGPOBSA-N 1 2 285.391 -1.712 20 0 CAADLO CS(=O)(=O)NCC[N@H+]1CCC[C@H](S(N)(=O)=O)C1 ZINC000408197568 372897992 /nfs/dbraw/zinc/89/79/92/372897992.db2.gz ITSFXOFETBLGCD-QMMMGPOBSA-N 1 2 285.391 -1.712 20 0 CAADLO CO[C@H]1CN(S(=O)(=O)C[C@H]2C[N@H+](C)CCO2)CCO1 ZINC000632260662 372881600 /nfs/dbraw/zinc/88/16/00/372881600.db2.gz RXXILFFWHQAQHV-GHMZBOCLSA-N 1 2 294.373 -1.049 20 0 CAADLO CO[C@H]1CN(S(=O)(=O)C[C@H]2C[N@@H+](C)CCO2)CCO1 ZINC000632260662 372881607 /nfs/dbraw/zinc/88/16/07/372881607.db2.gz RXXILFFWHQAQHV-GHMZBOCLSA-N 1 2 294.373 -1.049 20 0 CAADLO CNC(=O)NC(=O)C[N@@H+]1CCO[C@]2(CCOC2)C1 ZINC000408274066 372901219 /nfs/dbraw/zinc/90/12/19/372901219.db2.gz ITAATUQDMVRAKO-LLVKDONJSA-N 1 2 257.290 -1.067 20 0 CAADLO CNC(=O)NC(=O)C[N@H+]1CCO[C@]2(CCOC2)C1 ZINC000408274066 372901227 /nfs/dbraw/zinc/90/12/27/372901227.db2.gz ITAATUQDMVRAKO-LLVKDONJSA-N 1 2 257.290 -1.067 20 0 CAADLO Cn1ccc(C(=O)NCC(=O)NCC[NH+]2CCOCC2)n1 ZINC000600493664 372883773 /nfs/dbraw/zinc/88/37/73/372883773.db2.gz ZKLKJGBIDDBEQL-UHFFFAOYSA-N 1 2 295.343 -1.402 20 0 CAADLO NS(=O)(=O)C[C@H]1CCC[N@@H+]1CC(=O)N1CCOCC1 ZINC000408167391 372886092 /nfs/dbraw/zinc/88/60/92/372886092.db2.gz DNIRQNJCNJFNJP-SNVBAGLBSA-N 1 2 291.373 -1.402 20 0 CAADLO NS(=O)(=O)C[C@H]1CCC[N@H+]1CC(=O)N1CCOCC1 ZINC000408167391 372886103 /nfs/dbraw/zinc/88/61/03/372886103.db2.gz DNIRQNJCNJFNJP-SNVBAGLBSA-N 1 2 291.373 -1.402 20 0 CAADLO CC(=O)N1CC[NH+](CCNC(=O)c2nccnc2N)CC1 ZINC000078286552 372923713 /nfs/dbraw/zinc/92/37/13/372923713.db2.gz ZICBEBXZNFPTMY-UHFFFAOYSA-N 1 2 292.343 -1.047 20 0 CAADLO CN1CCN(C(=O)CN2CC[NH2+]CC2=O)CC1=O ZINC000158931526 372903505 /nfs/dbraw/zinc/90/35/05/372903505.db2.gz XLAZWHWGHWKPKL-UHFFFAOYSA-N 1 2 254.290 -2.281 20 0 CAADLO C[NH+]1CCN(C(=O)c2nc3n(n2)CCCN3)CC1 ZINC000643767622 372905376 /nfs/dbraw/zinc/90/53/76/372905376.db2.gz AEFVMYHJSVCKLL-UHFFFAOYSA-N 1 2 250.306 -1.261 20 0 CAADLO CNS(=O)(=O)N1CC[NH+](CCC(=O)OC)CC1 ZINC000127708369 372912159 /nfs/dbraw/zinc/91/21/59/372912159.db2.gz HKFXHQPJHPUMDN-UHFFFAOYSA-N 1 2 265.335 -1.369 20 0 CAADLO C[C@@H](O)C[NH+]1CCN(S(=O)(=O)N(C)C)CC1 ZINC000049838906 372916121 /nfs/dbraw/zinc/91/61/21/372916121.db2.gz QHEBTMQCOBFLQC-SECBINFHSA-N 1 2 251.352 -1.209 20 0 CAADLO CCN(CC)C(=O)[C@@H](C)[N@@H+]1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC000152995183 372917451 /nfs/dbraw/zinc/91/74/51/372917451.db2.gz YCHUOGDJCYBKGC-GHMZBOCLSA-N 1 2 296.371 -1.114 20 0 CAADLO CCN(CC)C(=O)[C@@H](C)[N@H+]1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC000152995183 372917460 /nfs/dbraw/zinc/91/74/60/372917460.db2.gz YCHUOGDJCYBKGC-GHMZBOCLSA-N 1 2 296.371 -1.114 20 0 CAADLO NC(=O)[C@@H]1CC[C@H](C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)O1 ZINC000626081384 372917997 /nfs/dbraw/zinc/91/79/97/372917997.db2.gz DBOFMEPIGNCYDT-SDDRHHMPSA-N 1 2 297.355 -1.048 20 0 CAADLO CN(C)S(=O)(=O)CC[N@@H+]1CCO[C@@H](CC(N)=O)C1 ZINC000626076806 372918202 /nfs/dbraw/zinc/91/82/02/372918202.db2.gz WIDACAGPMXPANF-VIFPVBQESA-N 1 2 279.362 -1.546 20 0 CAADLO CN(C)S(=O)(=O)CC[N@H+]1CCO[C@@H](CC(N)=O)C1 ZINC000626076806 372918211 /nfs/dbraw/zinc/91/82/11/372918211.db2.gz WIDACAGPMXPANF-VIFPVBQESA-N 1 2 279.362 -1.546 20 0 CAADLO C[C@H](NC(=O)Cn1cn[nH]c1=O)[C@H](C)[NH+]1CCOCC1 ZINC000152994757 372918556 /nfs/dbraw/zinc/91/85/56/372918556.db2.gz LMQRVARRCAFNDT-UWVGGRQHSA-N 1 2 283.332 -1.203 20 0 CAADLO COC[C@@H](CO)NS(=O)(=O)C[C@H]1C[N@H+](C)CCO1 ZINC000632294459 372925191 /nfs/dbraw/zinc/92/51/91/372925191.db2.gz KBEIDQQSPFLYJM-NXEZZACHSA-N 1 2 282.362 -1.756 20 0 CAADLO COC[C@@H](CO)NS(=O)(=O)C[C@H]1C[N@@H+](C)CCO1 ZINC000632294459 372925199 /nfs/dbraw/zinc/92/51/99/372925199.db2.gz KBEIDQQSPFLYJM-NXEZZACHSA-N 1 2 282.362 -1.756 20 0 CAADLO CN(C)S(=O)(=O)CCC[N@@H+]1CCO[C@@H](CC(N)=O)C1 ZINC000626081052 372918946 /nfs/dbraw/zinc/91/89/46/372918946.db2.gz WWEPTNBAQSLBPO-JTQLQIEISA-N 1 2 293.389 -1.156 20 0 CAADLO CN(C)S(=O)(=O)CCC[N@H+]1CCO[C@@H](CC(N)=O)C1 ZINC000626081052 372918953 /nfs/dbraw/zinc/91/89/53/372918953.db2.gz WWEPTNBAQSLBPO-JTQLQIEISA-N 1 2 293.389 -1.156 20 0 CAADLO NC(=O)[C@@H]1CC[C@H](C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)O1 ZINC000626081383 372919052 /nfs/dbraw/zinc/91/90/52/372919052.db2.gz DBOFMEPIGNCYDT-GRYCIOLGSA-N 1 2 297.355 -1.048 20 0 CAADLO CNC(=O)CCC[N@@H+]1CCOC[C@@H]1CNS(C)(=O)=O ZINC000626096920 372920236 /nfs/dbraw/zinc/92/02/36/372920236.db2.gz GUULOZRTCIZBKE-JTQLQIEISA-N 1 2 293.389 -1.237 20 0 CAADLO CNC(=O)CCC[N@H+]1CCOC[C@@H]1CNS(C)(=O)=O ZINC000626096920 372920244 /nfs/dbraw/zinc/92/02/44/372920244.db2.gz GUULOZRTCIZBKE-JTQLQIEISA-N 1 2 293.389 -1.237 20 0 CAADLO COCC[N@@H+]1CC[C@H](NC(=O)C2CS(=O)(=O)C2)C1 ZINC000631146863 372928251 /nfs/dbraw/zinc/92/82/51/372928251.db2.gz LXNHIXIPGOUFHD-JTQLQIEISA-N 1 2 276.358 -1.132 20 0 CAADLO COCC[N@H+]1CC[C@H](NC(=O)C2CS(=O)(=O)C2)C1 ZINC000631146863 372928261 /nfs/dbraw/zinc/92/82/61/372928261.db2.gz LXNHIXIPGOUFHD-JTQLQIEISA-N 1 2 276.358 -1.132 20 0 CAADLO CNC(=O)NC(=O)C[N@@H+]1CCC[C@H]1CS(=O)(=O)NC ZINC000408367141 372936034 /nfs/dbraw/zinc/93/60/34/372936034.db2.gz RNNBZSOUJUPMBY-QMMMGPOBSA-N 1 2 292.361 -1.544 20 0 CAADLO CNC(=O)NC(=O)C[N@H+]1CCC[C@H]1CS(=O)(=O)NC ZINC000408367141 372936038 /nfs/dbraw/zinc/93/60/38/372936038.db2.gz RNNBZSOUJUPMBY-QMMMGPOBSA-N 1 2 292.361 -1.544 20 0 CAADLO C[C@@]1(C(=O)NCC[NH+]2CCOCC2)CCNC1=O ZINC000635072322 372936337 /nfs/dbraw/zinc/93/63/37/372936337.db2.gz OYZCZJMQSRFTEH-GFCCVEGCSA-N 1 2 255.318 -1.039 20 0 CAADLO C[C@@]1(C(=O)N2CC[NH+](CCO)CC2)CCNC1=O ZINC000635249715 372940842 /nfs/dbraw/zinc/94/08/42/372940842.db2.gz YEKICAKOXBXYEV-GFCCVEGCSA-N 1 2 255.318 -1.351 20 0 CAADLO C[C@H](C(=O)NCCN1CCS(=O)(=O)CC1)[NH+](C)C ZINC000635426956 372943483 /nfs/dbraw/zinc/94/34/83/372943483.db2.gz UGMSNVMRXCXMJI-SNVBAGLBSA-N 1 2 277.390 -1.217 20 0 CAADLO CCN(CC)C(=O)[C@@H](C)[N@@H+]1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC000248199338 372943612 /nfs/dbraw/zinc/94/36/12/372943612.db2.gz YCHUOGDJCYBKGC-MNOVXSKESA-N 1 2 296.371 -1.114 20 0 CAADLO CCN(CC)C(=O)[C@@H](C)[N@H+]1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC000248199338 372943626 /nfs/dbraw/zinc/94/36/26/372943626.db2.gz YCHUOGDJCYBKGC-MNOVXSKESA-N 1 2 296.371 -1.114 20 0 CAADLO CN1C(=O)C[C@H]([NH+]2CCC(NS(C)(=O)=O)CC2)C1=O ZINC000643816305 372944735 /nfs/dbraw/zinc/94/47/35/372944735.db2.gz GVZKYXSEZJZSLZ-VIFPVBQESA-N 1 2 289.357 -1.243 20 0 CAADLO CNC(=O)CCC[N@@H+]1CCNC(=O)[C@@H]1CC(=O)OC ZINC000562478011 372947519 /nfs/dbraw/zinc/94/75/19/372947519.db2.gz SIZBZJRSHGMJHI-VIFPVBQESA-N 1 2 271.317 -1.124 20 0 CAADLO CNC(=O)CCC[N@H+]1CCNC(=O)[C@@H]1CC(=O)OC ZINC000562478011 372947530 /nfs/dbraw/zinc/94/75/30/372947530.db2.gz SIZBZJRSHGMJHI-VIFPVBQESA-N 1 2 271.317 -1.124 20 0 CAADLO CNC(=O)CCC[N@@H+]1CCNC(=O)[C@H]1CC(=O)OC ZINC000562478009 372947806 /nfs/dbraw/zinc/94/78/06/372947806.db2.gz SIZBZJRSHGMJHI-SECBINFHSA-N 1 2 271.317 -1.124 20 0 CAADLO CNC(=O)CCC[N@H+]1CCNC(=O)[C@H]1CC(=O)OC ZINC000562478009 372947815 /nfs/dbraw/zinc/94/78/15/372947815.db2.gz SIZBZJRSHGMJHI-SECBINFHSA-N 1 2 271.317 -1.124 20 0 CAADLO COC[C@]1(C(N)=O)CCC[N@@H+]1CC(=O)N1CCOCC1 ZINC000643826338 372948855 /nfs/dbraw/zinc/94/88/55/372948855.db2.gz KOUAFBFPCLQMRO-ZDUSSCGKSA-N 1 2 285.344 -1.189 20 0 CAADLO COC[C@]1(C(N)=O)CCC[N@H+]1CC(=O)N1CCOCC1 ZINC000643826338 372948863 /nfs/dbraw/zinc/94/88/63/372948863.db2.gz KOUAFBFPCLQMRO-ZDUSSCGKSA-N 1 2 285.344 -1.189 20 0 CAADLO COC[C@@]1(C(N)=O)CCC[N@@H+]1CCNS(C)(=O)=O ZINC000643823823 372950409 /nfs/dbraw/zinc/95/04/09/372950409.db2.gz ARXLULMUPUOFLJ-SNVBAGLBSA-N 1 2 279.362 -1.498 20 0 CAADLO COC[C@@]1(C(N)=O)CCC[N@H+]1CCNS(C)(=O)=O ZINC000643823823 372950412 /nfs/dbraw/zinc/95/04/12/372950412.db2.gz ARXLULMUPUOFLJ-SNVBAGLBSA-N 1 2 279.362 -1.498 20 0 CAADLO CNC(=O)N1CC[NH+](CCCS(=O)(=O)NC)CC1 ZINC000084715451 372951681 /nfs/dbraw/zinc/95/16/81/372951681.db2.gz LPNULFNBYNWSOG-UHFFFAOYSA-N 1 2 278.378 -1.117 20 0 CAADLO CCNS(=O)(=O)N1CCC[N@H+](CC(=O)N(C)C)CC1 ZINC000363559266 372960164 /nfs/dbraw/zinc/96/01/64/372960164.db2.gz QZEUIXKGHGDLLF-UHFFFAOYSA-N 1 2 292.405 -1.063 20 0 CAADLO CCNS(=O)(=O)N1CCC[N@@H+](CC(=O)N(C)C)CC1 ZINC000363559266 372960174 /nfs/dbraw/zinc/96/01/74/372960174.db2.gz QZEUIXKGHGDLLF-UHFFFAOYSA-N 1 2 292.405 -1.063 20 0 CAADLO CC(C)(C(N)=O)[NH+]1CCN(C(=O)[C@]2(C)CCNC2=O)CC1 ZINC000635626496 372962227 /nfs/dbraw/zinc/96/22/27/372962227.db2.gz PJRLKSSGLMYPPV-CQSZACIVSA-N 1 2 296.371 -1.079 20 0 CAADLO CC(=O)NC[C@@H]1CCCC[N@@H+]1CC(=O)N1CCNC(=O)C1 ZINC000626154856 372962695 /nfs/dbraw/zinc/96/26/95/372962695.db2.gz YTLQEWGEEVUBFI-LBPRGKRZSA-N 1 2 296.371 -1.065 20 0 CAADLO CC(=O)NC[C@@H]1CCCC[N@H+]1CC(=O)N1CCNC(=O)C1 ZINC000626154856 372962699 /nfs/dbraw/zinc/96/26/99/372962699.db2.gz YTLQEWGEEVUBFI-LBPRGKRZSA-N 1 2 296.371 -1.065 20 0 CAADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)[C@H]1C[C@@H](O)C1 ZINC000635657981 372964343 /nfs/dbraw/zinc/96/43/43/372964343.db2.gz BXLXWXCVUQGNHD-GRYCIOLGSA-N 1 2 272.345 -1.091 20 0 CAADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)[C@]1(C)CCNC1=O ZINC000635658263 372964578 /nfs/dbraw/zinc/96/45/78/372964578.db2.gz FAYORLWKBNLMSV-BXUZGUMPSA-N 1 2 299.371 -1.336 20 0 CAADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@]1(C)CCNC1=O ZINC000635658266 372964787 /nfs/dbraw/zinc/96/47/87/372964787.db2.gz FAYORLWKBNLMSV-SMDDNHRTSA-N 1 2 299.371 -1.336 20 0 CAADLO COC(=O)[C@H]1CCCCN1C(=O)CN1CC[NH2+]CC1=O ZINC000569694634 372966269 /nfs/dbraw/zinc/96/62/69/372966269.db2.gz GWZXTJUQLFRPTP-SNVBAGLBSA-N 1 2 283.328 -1.028 20 0 CAADLO O=C([C@H]1C[C@@H](O)C1)N(CCO)CC[NH+]1CCOCC1 ZINC000635713334 372967015 /nfs/dbraw/zinc/96/70/15/372967015.db2.gz BUCPBFTVJAQNOI-TXEJJXNPSA-N 1 2 272.345 -1.090 20 0 CAADLO C[C@@]1(C(=O)N[C@@H](CO)C[NH+]2CCOCC2)CCNC1=O ZINC000635892746 372974379 /nfs/dbraw/zinc/97/43/79/372974379.db2.gz BCLXEPUDRRPWPJ-ZWNOBZJWSA-N 1 2 285.344 -1.678 20 0 CAADLO O=C(N[C@@H](CO)C[NH+]1CCOCC1)[C@H]1C[C@@H](O)C1 ZINC000635893310 372974490 /nfs/dbraw/zinc/97/44/90/372974490.db2.gz PWTZZYBLSXLRKP-MXWKQRLJSA-N 1 2 258.318 -1.433 20 0 CAADLO CN1CC[C@](C)(C(=O)N[C@H](CO)C[NH+]2CCOCC2)C1=O ZINC000635893245 372974839 /nfs/dbraw/zinc/97/48/39/372974839.db2.gz OAFHTWTUVSNYLG-SMDDNHRTSA-N 1 2 299.371 -1.336 20 0 CAADLO C[C@H]1C[N@H+](CCNC(=O)CN2CC(=O)NC2=O)CCO1 ZINC000600982675 372954756 /nfs/dbraw/zinc/95/47/56/372954756.db2.gz AUQXBISZEPCHEX-VIFPVBQESA-N 1 2 284.316 -1.625 20 0 CAADLO C[C@H]1C[N@@H+](CCNC(=O)CN2CC(=O)NC2=O)CCO1 ZINC000600982675 372954766 /nfs/dbraw/zinc/95/47/66/372954766.db2.gz AUQXBISZEPCHEX-VIFPVBQESA-N 1 2 284.316 -1.625 20 0 CAADLO CC[C@H](CO)[NH+]1CCN(Cc2n[nH]c(=O)[nH]2)CC1 ZINC000092618899 372954933 /nfs/dbraw/zinc/95/49/33/372954933.db2.gz LELAENDRWIQKFC-SECBINFHSA-N 1 2 255.322 -1.014 20 0 CAADLO C[C@@H](NS(C)(=O)=O)C(=O)NCC[NH+]1CCOCC1 ZINC000141273647 372954971 /nfs/dbraw/zinc/95/49/71/372954971.db2.gz PVYQZTZVECSMLZ-SECBINFHSA-N 1 2 279.362 -1.628 20 0 CAADLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(N)=O)CC1 ZINC000635557341 372957131 /nfs/dbraw/zinc/95/71/31/372957131.db2.gz YFZIRKBRSSSOOI-UHFFFAOYSA-N 1 2 284.360 -1.126 20 0 CAADLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(N)=O)CC1 ZINC000635557341 372957138 /nfs/dbraw/zinc/95/71/38/372957138.db2.gz YFZIRKBRSSSOOI-UHFFFAOYSA-N 1 2 284.360 -1.126 20 0 CAADLO CNC(=O)NC(=O)C[N@H+](C)CC(=O)NCCCOC ZINC000198741501 372957431 /nfs/dbraw/zinc/95/74/31/372957431.db2.gz ZHHHZWPNMBJEIH-UHFFFAOYSA-N 1 2 274.321 -1.474 20 0 CAADLO CNC(=O)NC(=O)C[N@@H+](C)CC(=O)NCCCOC ZINC000198741501 372957434 /nfs/dbraw/zinc/95/74/34/372957434.db2.gz ZHHHZWPNMBJEIH-UHFFFAOYSA-N 1 2 274.321 -1.474 20 0 CAADLO COCCOCC[NH+]1CCN(C(=O)C(N)=O)CC1 ZINC000636127184 372993593 /nfs/dbraw/zinc/99/35/93/372993593.db2.gz KAIQPMCUIURUNO-UHFFFAOYSA-N 1 2 259.306 -1.721 20 0 CAADLO CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)[C@@H](C)[NH+](C)C ZINC000636177661 372997412 /nfs/dbraw/zinc/99/74/12/372997412.db2.gz RCSUJNYCKIBJNN-HLTSFMKQSA-N 1 2 264.347 -1.135 20 0 CAADLO CC(C)C[C@@H]1C(=O)NCCN1C(=O)CN1CC[NH2+]CC1=O ZINC000570567496 372998076 /nfs/dbraw/zinc/99/80/76/372998076.db2.gz CEOZMXOSCPDLID-LLVKDONJSA-N 1 2 296.371 -1.209 20 0 CAADLO CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)[C@@H](C)[NH+](C)C ZINC000636177670 372998418 /nfs/dbraw/zinc/99/84/18/372998418.db2.gz RCSUJNYCKIBJNN-VGMNWLOBSA-N 1 2 264.347 -1.135 20 0 CAADLO C[C@H]1CN(C(=O)C2(S(N)(=O)=O)CC2)CC[N@@H+]1CCO ZINC000570806347 373001960 /nfs/dbraw/zinc/00/19/60/373001960.db2.gz BAKDQQUWSRADLN-VIFPVBQESA-N 1 2 291.373 -1.668 20 0 CAADLO C[C@H]1CN(C(=O)C2(S(N)(=O)=O)CC2)CC[N@H+]1CCO ZINC000570806347 373001965 /nfs/dbraw/zinc/00/19/65/373001965.db2.gz BAKDQQUWSRADLN-VIFPVBQESA-N 1 2 291.373 -1.668 20 0 CAADLO C[C@@H](NC(=O)CN1CC(=O)NC1=O)[C@H](C)[NH+]1CCOCC1 ZINC000332829782 373008114 /nfs/dbraw/zinc/00/81/14/373008114.db2.gz QGZXYWQCCGPJHO-ZJUUUORDSA-N 1 2 298.343 -1.236 20 0 CAADLO O=C(CN1CC[NH2+]CC1=O)N1CCO[C@@H](C(=O)C2CC2)C1 ZINC000569967411 372984848 /nfs/dbraw/zinc/98/48/48/372984848.db2.gz NAMPFLBMPHDKKQ-LLVKDONJSA-N 1 2 295.339 -1.375 20 0 CAADLO C[N@@H+]1CCO[C@@H](CS(=O)(=O)NCC(C)(CO)CO)C1 ZINC000632367876 372986189 /nfs/dbraw/zinc/98/61/89/372986189.db2.gz YBHMRQUZZNSCNQ-SNVBAGLBSA-N 1 2 296.389 -1.773 20 0 CAADLO C[N@H+]1CCO[C@@H](CS(=O)(=O)NCC(C)(CO)CO)C1 ZINC000632367876 372986193 /nfs/dbraw/zinc/98/61/93/372986193.db2.gz YBHMRQUZZNSCNQ-SNVBAGLBSA-N 1 2 296.389 -1.773 20 0 CAADLO C[N@@H+]1CCO[C@H](CS(=O)(=O)N2CCOC[C@H](O)C2)C1 ZINC000632390655 372988077 /nfs/dbraw/zinc/98/80/77/372988077.db2.gz GNLKDELNYPSTMD-MNOVXSKESA-N 1 2 294.373 -1.660 20 0 CAADLO C[N@H+]1CCO[C@H](CS(=O)(=O)N2CCOC[C@H](O)C2)C1 ZINC000632390655 372988083 /nfs/dbraw/zinc/98/80/83/372988083.db2.gz GNLKDELNYPSTMD-MNOVXSKESA-N 1 2 294.373 -1.660 20 0 CAADLO CN1CCN(C(=O)C(=O)NCCCn2cc[nH+]c2)CC1=O ZINC000570054930 372988401 /nfs/dbraw/zinc/98/84/01/372988401.db2.gz GGHQHYHRVUOWDS-UHFFFAOYSA-N 1 2 293.327 -1.310 20 0 CAADLO C[N@@H+]1CCO[C@H](CS(=O)(=O)N2CCOC[C@@H](O)C2)C1 ZINC000632390656 372988620 /nfs/dbraw/zinc/98/86/20/372988620.db2.gz GNLKDELNYPSTMD-QWRGUYRKSA-N 1 2 294.373 -1.660 20 0 CAADLO C[N@H+]1CCO[C@H](CS(=O)(=O)N2CCOC[C@@H](O)C2)C1 ZINC000632390656 372988624 /nfs/dbraw/zinc/98/86/24/372988624.db2.gz GNLKDELNYPSTMD-QWRGUYRKSA-N 1 2 294.373 -1.660 20 0 CAADLO COC(=O)CN(C)S(=O)(=O)C[C@@H]1C[N@H+](C)CCO1 ZINC000601298592 373029439 /nfs/dbraw/zinc/02/94/39/373029439.db2.gz CXAMMWKWBWZCRE-VIFPVBQESA-N 1 2 280.346 -1.248 20 0 CAADLO COC(=O)CN(C)S(=O)(=O)C[C@@H]1C[N@@H+](C)CCO1 ZINC000601298592 373029449 /nfs/dbraw/zinc/02/94/49/373029449.db2.gz CXAMMWKWBWZCRE-VIFPVBQESA-N 1 2 280.346 -1.248 20 0 CAADLO COC(=O)CCNS(=O)(=O)C[C@H]1C[N@H+](C)CCO1 ZINC000601300008 373031250 /nfs/dbraw/zinc/03/12/50/373031250.db2.gz TUFBPGUQHOXCFY-SECBINFHSA-N 1 2 280.346 -1.201 20 0 CAADLO COC(=O)CCNS(=O)(=O)C[C@H]1C[N@@H+](C)CCO1 ZINC000601300008 373031261 /nfs/dbraw/zinc/03/12/61/373031261.db2.gz TUFBPGUQHOXCFY-SECBINFHSA-N 1 2 280.346 -1.201 20 0 CAADLO COc1c(N)[nH+]cnc1N1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000388147594 373031683 /nfs/dbraw/zinc/03/16/83/373031683.db2.gz JAOCFDGBAYGZGP-OLQVQODUSA-N 1 2 263.257 -1.224 20 0 CAADLO COc1c(N)nc[nH+]c1N1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000388147594 373031695 /nfs/dbraw/zinc/03/16/95/373031695.db2.gz JAOCFDGBAYGZGP-OLQVQODUSA-N 1 2 263.257 -1.224 20 0 CAADLO COC(=O)[C@@H](C)NS(=O)(=O)C[C@@H]1C[N@H+](C)CCO1 ZINC000601371840 373035044 /nfs/dbraw/zinc/03/50/44/373035044.db2.gz RGIYJNFYFLLGJG-BDAKNGLRSA-N 1 2 280.346 -1.202 20 0 CAADLO CC[N@@H+]1CCOC[C@@H]1C(=O)N1CC(C(=O)NC)C1 ZINC000364242784 373036844 /nfs/dbraw/zinc/03/68/44/373036844.db2.gz BDVHIZSZTFQDOV-SNVBAGLBSA-N 1 2 255.318 -1.089 20 0 CAADLO CC[N@H+]1CCOC[C@@H]1C(=O)N1CC(C(=O)NC)C1 ZINC000364242784 373036850 /nfs/dbraw/zinc/03/68/50/373036850.db2.gz BDVHIZSZTFQDOV-SNVBAGLBSA-N 1 2 255.318 -1.089 20 0 CAADLO CCN1CCC[N@H+](CC(=O)NC(=O)NC)CC1=O ZINC000190210840 373038235 /nfs/dbraw/zinc/03/82/35/373038235.db2.gz SFPHKQBBRNUMJR-UHFFFAOYSA-N 1 2 256.306 -1.004 20 0 CAADLO CCN1CCC[N@@H+](CC(=O)NC(=O)NC)CC1=O ZINC000190210840 373038241 /nfs/dbraw/zinc/03/82/41/373038241.db2.gz SFPHKQBBRNUMJR-UHFFFAOYSA-N 1 2 256.306 -1.004 20 0 CAADLO COC(=O)c1nccc(N[C@H](CO)C[NH+]2CCOCC2)n1 ZINC000601177237 373013036 /nfs/dbraw/zinc/01/30/36/373013036.db2.gz RNNVSAATZNGRRI-JTQLQIEISA-N 1 2 296.327 -1.210 20 0 CAADLO COC(=O)[C@@H](NC(=O)C[N@H+]1C[C@H](O)C[C@H](O)C1)C(C)C ZINC000589254919 373014917 /nfs/dbraw/zinc/01/49/17/373014917.db2.gz RCVHTXGEAPAIDL-UMNHJUIQSA-N 1 2 288.344 -1.272 20 0 CAADLO COC(=O)[C@@H](NC(=O)C[N@@H+]1C[C@H](O)C[C@H](O)C1)C(C)C ZINC000589254919 373014920 /nfs/dbraw/zinc/01/49/20/373014920.db2.gz RCVHTXGEAPAIDL-UMNHJUIQSA-N 1 2 288.344 -1.272 20 0 CAADLO COC(=O)COCC(=O)N1CC[NH+](CCO)CC1 ZINC000588270982 373015158 /nfs/dbraw/zinc/01/51/58/373015158.db2.gz RLHITEAMMGZZFB-UHFFFAOYSA-N 1 2 260.290 -1.688 20 0 CAADLO CN(C)S(=O)(=O)N1CC[NH+](CCn2cncn2)CC1 ZINC000589150543 373015429 /nfs/dbraw/zinc/01/54/29/373015429.db2.gz AIWXFBFJYYOWCY-UHFFFAOYSA-N 1 2 288.377 -1.298 20 0 CAADLO CN1CCN(C(=O)C(=O)N2CC[NH+](C3CC3)CC2)CC1=O ZINC000580285797 373022103 /nfs/dbraw/zinc/02/21/03/373022103.db2.gz BOVZJBLFQBFTSV-UHFFFAOYSA-N 1 2 294.355 -1.406 20 0 CAADLO CNC(=O)CCNC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000636610089 373051890 /nfs/dbraw/zinc/05/18/90/373051890.db2.gz KNZCQLXKMDYMIM-VIFPVBQESA-N 1 2 258.322 -1.248 20 0 CAADLO CNC(=O)CCNC(=O)NC[C@H]1COCC[N@H+]1C ZINC000636610089 373051896 /nfs/dbraw/zinc/05/18/96/373051896.db2.gz KNZCQLXKMDYMIM-VIFPVBQESA-N 1 2 258.322 -1.248 20 0 CAADLO COCCN1CCC[N@@H+]([C@H](C)C(=O)NC(N)=O)CC1=O ZINC000364953447 373052477 /nfs/dbraw/zinc/05/24/77/373052477.db2.gz HAVUPKFMFKPURR-SECBINFHSA-N 1 2 286.332 -1.250 20 0 CAADLO COCCN1CCC[N@H+]([C@H](C)C(=O)NC(N)=O)CC1=O ZINC000364953447 373052480 /nfs/dbraw/zinc/05/24/80/373052480.db2.gz HAVUPKFMFKPURR-SECBINFHSA-N 1 2 286.332 -1.250 20 0 CAADLO COCCCNC(=O)C[N@H+](C)[C@@H](C)C(=O)NC(N)=O ZINC000198742811 373054698 /nfs/dbraw/zinc/05/46/98/373054698.db2.gz QVRVUDOBOIMDQE-QMMMGPOBSA-N 1 2 274.321 -1.346 20 0 CAADLO COCCCNC(=O)C[N@@H+](C)[C@@H](C)C(=O)NC(N)=O ZINC000198742811 373054706 /nfs/dbraw/zinc/05/47/06/373054706.db2.gz QVRVUDOBOIMDQE-QMMMGPOBSA-N 1 2 274.321 -1.346 20 0 CAADLO CNC(=O)NC(=O)[C@@H](C)[N@H+](C)CC(=O)NCCCOC ZINC000198741533 373055169 /nfs/dbraw/zinc/05/51/69/373055169.db2.gz YTYLOZKRIQOKEA-SECBINFHSA-N 1 2 288.348 -1.085 20 0 CAADLO CNC(=O)NC(=O)[C@@H](C)[N@@H+](C)CC(=O)NCCCOC ZINC000198741533 373055180 /nfs/dbraw/zinc/05/51/80/373055180.db2.gz YTYLOZKRIQOKEA-SECBINFHSA-N 1 2 288.348 -1.085 20 0 CAADLO COC(=O)Cn1cc(C[NH2+][C@@H]2COC[C@H]2OC)nn1 ZINC000592154659 373063773 /nfs/dbraw/zinc/06/37/73/373063773.db2.gz MLFLIUKPMSPETM-NXEZZACHSA-N 1 2 270.289 -1.046 20 0 CAADLO COC(=O)[C@H]1C[C@@H](O)C[N@H+](CC(=O)NC(N)=O)C1 ZINC000592210080 373066101 /nfs/dbraw/zinc/06/61/01/373066101.db2.gz UUXYXVUYJXOSGH-NKWVEPMBSA-N 1 2 259.262 -1.963 20 0 CAADLO COC(=O)[C@H]1C[C@@H](O)C[N@@H+](CC(=O)NC(N)=O)C1 ZINC000592210080 373066107 /nfs/dbraw/zinc/06/61/07/373066107.db2.gz UUXYXVUYJXOSGH-NKWVEPMBSA-N 1 2 259.262 -1.963 20 0 CAADLO COC(=O)[C@H]1C[C@H](O)C[N@H+](CC(=O)NC(=O)NC2CC2)C1 ZINC000592204964 373066782 /nfs/dbraw/zinc/06/67/82/373066782.db2.gz BRGCEORUTGIJCN-WPRPVWTQSA-N 1 2 299.327 -1.170 20 0 CAADLO COC(=O)[C@H]1C[C@H](O)C[N@@H+](CC(=O)NC(=O)NC2CC2)C1 ZINC000592204964 373066786 /nfs/dbraw/zinc/06/67/86/373066786.db2.gz BRGCEORUTGIJCN-WPRPVWTQSA-N 1 2 299.327 -1.170 20 0 CAADLO CCNC(=O)NC(=O)C[N@H+]1C[C@H](C(=O)OC)C[C@H](O)C1 ZINC000592209040 373066996 /nfs/dbraw/zinc/06/69/96/373066996.db2.gz QJNUMVSWQIBDOR-BDAKNGLRSA-N 1 2 287.316 -1.312 20 0 CAADLO CCNC(=O)NC(=O)C[N@@H+]1C[C@H](C(=O)OC)C[C@H](O)C1 ZINC000592209040 373067004 /nfs/dbraw/zinc/06/70/04/373067004.db2.gz QJNUMVSWQIBDOR-BDAKNGLRSA-N 1 2 287.316 -1.312 20 0 CAADLO CNC(=O)NC(=O)C[N@H+]1C[C@H](C(=O)OC)C[C@H](O)C1 ZINC000592206024 373067200 /nfs/dbraw/zinc/06/72/00/373067200.db2.gz FKPZOJRVVJDOGO-SFYZADRCSA-N 1 2 273.289 -1.702 20 0 CAADLO CNC(=O)NC(=O)C[N@@H+]1C[C@H](C(=O)OC)C[C@H](O)C1 ZINC000592206024 373067210 /nfs/dbraw/zinc/06/72/10/373067210.db2.gz FKPZOJRVVJDOGO-SFYZADRCSA-N 1 2 273.289 -1.702 20 0 CAADLO CNC(=O)NC(=O)C[N@@H+]1C[C@H](O)C[C@H](C(=O)OC)C1 ZINC000592206023 373067227 /nfs/dbraw/zinc/06/72/27/373067227.db2.gz FKPZOJRVVJDOGO-JGVFFNPUSA-N 1 2 273.289 -1.702 20 0 CAADLO CNC(=O)NC(=O)C[N@H+]1C[C@H](O)C[C@H](C(=O)OC)C1 ZINC000592206023 373067236 /nfs/dbraw/zinc/06/72/36/373067236.db2.gz FKPZOJRVVJDOGO-JGVFFNPUSA-N 1 2 273.289 -1.702 20 0 CAADLO CCOCCNC(=O)C[N@@H+]1C[C@H](O)C[C@@H](C(=O)OC)C1 ZINC000592200493 373067888 /nfs/dbraw/zinc/06/78/88/373067888.db2.gz SITLTKSPKWXDAD-GHMZBOCLSA-N 1 2 288.344 -1.005 20 0 CAADLO CCOCCNC(=O)C[N@H+]1C[C@H](O)C[C@@H](C(=O)OC)C1 ZINC000592200493 373067898 /nfs/dbraw/zinc/06/78/98/373067898.db2.gz SITLTKSPKWXDAD-GHMZBOCLSA-N 1 2 288.344 -1.005 20 0 CAADLO CCOC(=O)CCS(=O)(=O)N1CC[N@H+](C)C[C@@H]1CO ZINC000601469450 373043062 /nfs/dbraw/zinc/04/30/62/373043062.db2.gz QPFDJOHUYDBSBK-SNVBAGLBSA-N 1 2 294.373 -1.122 20 0 CAADLO CCOC(=O)CCS(=O)(=O)N1CC[N@@H+](C)C[C@@H]1CO ZINC000601469450 373043071 /nfs/dbraw/zinc/04/30/71/373043071.db2.gz QPFDJOHUYDBSBK-SNVBAGLBSA-N 1 2 294.373 -1.122 20 0 CAADLO COCC(COC)[NH+]1CCN(C(=O)[C@H]2CC(=O)N2)CC1 ZINC000616255224 373044674 /nfs/dbraw/zinc/04/46/74/373044674.db2.gz ZVDPGFKVDBHGCG-LLVKDONJSA-N 1 2 285.344 -1.320 20 0 CAADLO CN1C[C@@H](C(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)NC1=O ZINC000616253424 373045747 /nfs/dbraw/zinc/04/57/47/373045747.db2.gz ITQONZGVUQUNMU-AEJSXWLSSA-N 1 2 268.317 -1.449 20 0 CAADLO CN1C[C@@H](C(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)NC1=O ZINC000616253424 373045757 /nfs/dbraw/zinc/04/57/57/373045757.db2.gz ITQONZGVUQUNMU-AEJSXWLSSA-N 1 2 268.317 -1.449 20 0 CAADLO COC(=O)[C@]1(C)CCCN1C(=O)CN1CC[NH2+]CC1=O ZINC000592562623 373078835 /nfs/dbraw/zinc/07/88/35/373078835.db2.gz RDBKSPIZDZYAAX-ZDUSSCGKSA-N 1 2 283.328 -1.028 20 0 CAADLO COC(=O)CCNC(=O)C[N@@H+]1C[C@@H]2C[C@H]1C[S@]2=O ZINC000593094810 373086283 /nfs/dbraw/zinc/08/62/83/373086283.db2.gz LSNVYVPCABOQMO-VXAXSWHGSA-N 1 2 274.342 -1.129 20 0 CAADLO COC(=O)CCNC(=O)C[N@H+]1C[C@@H]2C[C@H]1C[S@]2=O ZINC000593094810 373086295 /nfs/dbraw/zinc/08/62/95/373086295.db2.gz LSNVYVPCABOQMO-VXAXSWHGSA-N 1 2 274.342 -1.129 20 0 CAADLO COC(=O)CNC(=O)C[N@@H+]1C[C@@H]2C[C@H]1C[S@@]2=O ZINC000593099200 373086972 /nfs/dbraw/zinc/08/69/72/373086972.db2.gz FIXLFODDGAOBDN-WFKSXWRXSA-N 1 2 260.315 -1.519 20 0 CAADLO COC(=O)CNC(=O)C[N@H+]1C[C@@H]2C[C@H]1C[S@@]2=O ZINC000593099200 373086979 /nfs/dbraw/zinc/08/69/79/373086979.db2.gz FIXLFODDGAOBDN-WFKSXWRXSA-N 1 2 260.315 -1.519 20 0 CAADLO CS(=O)(=O)NCC[N@@H+]1C[C@@H]2C[C@H]1C[S@@]2=O ZINC000593097597 373087420 /nfs/dbraw/zinc/08/74/20/373087420.db2.gz NZFSWOCMEKMXMQ-FZVNPBSJSA-N 1 2 252.361 -1.259 20 0 CAADLO CS(=O)(=O)NCC[N@H+]1C[C@@H]2C[C@H]1C[S@@]2=O ZINC000593097597 373087429 /nfs/dbraw/zinc/08/74/29/373087429.db2.gz NZFSWOCMEKMXMQ-FZVNPBSJSA-N 1 2 252.361 -1.259 20 0 CAADLO CS(=O)(=O)NCC[N@@H+]1CCC[C@@H](NS(C)(=O)=O)C1 ZINC000593286958 373089543 /nfs/dbraw/zinc/08/95/43/373089543.db2.gz XOKXWHRFYOMUDA-SECBINFHSA-N 1 2 299.418 -1.451 20 0 CAADLO CS(=O)(=O)NCC[N@H+]1CCC[C@@H](NS(C)(=O)=O)C1 ZINC000593286958 373089551 /nfs/dbraw/zinc/08/95/51/373089551.db2.gz XOKXWHRFYOMUDA-SECBINFHSA-N 1 2 299.418 -1.451 20 0 CAADLO CC[N@H+](CCNS(C)(=O)=O)CC(=O)N(C)C ZINC000593435710 373089623 /nfs/dbraw/zinc/08/96/23/373089623.db2.gz NNDPTHCKNRYSGH-UHFFFAOYSA-N 1 2 251.352 -1.054 20 0 CAADLO CC[N@@H+](CCNS(C)(=O)=O)CC(=O)N(C)C ZINC000593435710 373089632 /nfs/dbraw/zinc/08/96/32/373089632.db2.gz NNDPTHCKNRYSGH-UHFFFAOYSA-N 1 2 251.352 -1.054 20 0 CAADLO C[C@H](C(=O)NC(N)=O)[NH+]1CCN(c2nncn2C)CC1 ZINC000594022336 373098285 /nfs/dbraw/zinc/09/82/85/373098285.db2.gz FPUYVXCUZRWLFN-MRVPVSSYSA-N 1 2 281.320 -1.480 20 0 CAADLO CNC(=O)NC(=O)[C@H](C)[NH+]1CCN(c2nncn2C)CC1 ZINC000594026498 373099033 /nfs/dbraw/zinc/09/90/33/373099033.db2.gz KTTQRHLPQAJVNQ-VIFPVBQESA-N 1 2 295.347 -1.219 20 0 CAADLO COC(=O)CCN1CC[C@H]([N@@H+]2CCO[C@H](C(N)=O)C2)C1=O ZINC000595297870 373111387 /nfs/dbraw/zinc/11/13/87/373111387.db2.gz JTKFTJSZFHJDDS-UWVGGRQHSA-N 1 2 299.327 -1.664 20 0 CAADLO COC(=O)CCN1CC[C@H]([N@H+]2CCO[C@H](C(N)=O)C2)C1=O ZINC000595297870 373111397 /nfs/dbraw/zinc/11/13/97/373111397.db2.gz JTKFTJSZFHJDDS-UWVGGRQHSA-N 1 2 299.327 -1.664 20 0 CAADLO COC(=O)CCN1CC[C@H]([N@@H+]2CCNC(=O)CC2)C1=O ZINC000595310083 373112834 /nfs/dbraw/zinc/11/28/34/373112834.db2.gz TUPZJKAOJYBEFH-JTQLQIEISA-N 1 2 283.328 -1.028 20 0 CAADLO COC(=O)CCN1CC[C@H]([N@H+]2CCNC(=O)CC2)C1=O ZINC000595310083 373112841 /nfs/dbraw/zinc/11/28/41/373112841.db2.gz TUPZJKAOJYBEFH-JTQLQIEISA-N 1 2 283.328 -1.028 20 0 CAADLO CNC(=O)C[N@H+](C)[C@H]1CCN(CCC(=O)OC)C1=O ZINC000595297316 373113060 /nfs/dbraw/zinc/11/30/60/373113060.db2.gz LTOWBPRXSYVZQG-VIFPVBQESA-N 1 2 271.317 -1.172 20 0 CAADLO CNC(=O)C[N@@H+](C)[C@H]1CCN(CCC(=O)OC)C1=O ZINC000595297316 373113064 /nfs/dbraw/zinc/11/30/64/373113064.db2.gz LTOWBPRXSYVZQG-VIFPVBQESA-N 1 2 271.317 -1.172 20 0 CAADLO COC(=O)CNC(=O)[C@@H](C)[N@H+](C)Cc1n[nH]c(=O)o1 ZINC000595548267 373114875 /nfs/dbraw/zinc/11/48/75/373114875.db2.gz UYDYYCXFXJYCNW-ZCFIWIBFSA-N 1 2 272.261 -1.115 20 0 CAADLO COC(=O)CNC(=O)[C@@H](C)[N@@H+](C)Cc1n[nH]c(=O)o1 ZINC000595548267 373114889 /nfs/dbraw/zinc/11/48/89/373114889.db2.gz UYDYYCXFXJYCNW-ZCFIWIBFSA-N 1 2 272.261 -1.115 20 0 CAADLO COC(=O)[C@@]1(C)CCN(C(=O)CN2CC[NH2+]CC2=O)C1 ZINC000592220525 373070577 /nfs/dbraw/zinc/07/05/77/373070577.db2.gz JCSNAORGLJYTPZ-ZDUSSCGKSA-N 1 2 283.328 -1.170 20 0 CAADLO CN1CCC[C@@H]([N@@H+]2CCN3C(=O)NC(=O)[C@H]3C2)C1=O ZINC000540912185 373159896 /nfs/dbraw/zinc/15/98/96/373159896.db2.gz ZVWCSBLCOOKZED-RKDXNWHRSA-N 1 2 266.301 -1.157 20 0 CAADLO CN1CCC[C@@H]([N@H+]2CCN3C(=O)NC(=O)[C@H]3C2)C1=O ZINC000540912185 373159907 /nfs/dbraw/zinc/15/99/07/373159907.db2.gz ZVWCSBLCOOKZED-RKDXNWHRSA-N 1 2 266.301 -1.157 20 0 CAADLO CNS(=O)(=O)CC[N@@H+]1C[C@@H]2C[C@H]1C[S@]2=O ZINC000598622957 373161126 /nfs/dbraw/zinc/16/11/26/373161126.db2.gz PNIBJCLSHRKXFV-RDOZXCAGSA-N 1 2 252.361 -1.259 20 0 CAADLO CNS(=O)(=O)CC[N@H+]1C[C@@H]2C[C@H]1C[S@]2=O ZINC000598622957 373161131 /nfs/dbraw/zinc/16/11/31/373161131.db2.gz PNIBJCLSHRKXFV-RDOZXCAGSA-N 1 2 252.361 -1.259 20 0 CAADLO CNS(=O)(=O)CC[N@@H+]1C[C@@H]2C[C@H]1C[S@@]2=O ZINC000598622961 373162026 /nfs/dbraw/zinc/16/20/26/373162026.db2.gz PNIBJCLSHRKXFV-FZVNPBSJSA-N 1 2 252.361 -1.259 20 0 CAADLO CNS(=O)(=O)CC[N@H+]1C[C@@H]2C[C@H]1C[S@@]2=O ZINC000598622961 373162033 /nfs/dbraw/zinc/16/20/33/373162033.db2.gz PNIBJCLSHRKXFV-FZVNPBSJSA-N 1 2 252.361 -1.259 20 0 CAADLO CN1CCC[C@H]([N@@H+]2CCN3C(=O)NC(=O)[C@@H]3C2)C1=O ZINC000540912184 373162147 /nfs/dbraw/zinc/16/21/47/373162147.db2.gz ZVWCSBLCOOKZED-IUCAKERBSA-N 1 2 266.301 -1.157 20 0 CAADLO CN1CCC[C@H]([N@H+]2CCN3C(=O)NC(=O)[C@@H]3C2)C1=O ZINC000540912184 373162153 /nfs/dbraw/zinc/16/21/53/373162153.db2.gz ZVWCSBLCOOKZED-IUCAKERBSA-N 1 2 266.301 -1.157 20 0 CAADLO COCC[N@@H+]1C[C@@H](N2C(=O)CNC2=O)C[C@H]1C(=O)OC ZINC000598633484 373164072 /nfs/dbraw/zinc/16/40/72/373164072.db2.gz AHMDFZBJBQSWQK-IUCAKERBSA-N 1 2 285.300 -1.200 20 0 CAADLO COCC[N@H+]1C[C@@H](N2C(=O)CNC2=O)C[C@H]1C(=O)OC ZINC000598633484 373164080 /nfs/dbraw/zinc/16/40/80/373164080.db2.gz AHMDFZBJBQSWQK-IUCAKERBSA-N 1 2 285.300 -1.200 20 0 CAADLO C[S@](=O)C1(CNc2nc(N)nc(N)[nH+]2)CCC1 ZINC000599074019 373167216 /nfs/dbraw/zinc/16/72/16/373167216.db2.gz JFHUPOBPDMWJIF-KRWDZBQOSA-N 1 2 256.335 -1.168 20 0 CAADLO CCOC(=O)[C@@](C)(O)CNc1nc(N)nc(N)[nH+]1 ZINC000599064817 373167767 /nfs/dbraw/zinc/16/77/67/373167767.db2.gz FECLAHUUYKVCIV-VIFPVBQESA-N 1 2 256.266 -2.155 20 0 CAADLO CN(C)C(=O)N(C)[C@@H]1CC[N@H+](CC(=O)NC(N)=O)C1 ZINC000595829153 373120812 /nfs/dbraw/zinc/12/08/12/373120812.db2.gz WXJSDORZCIZTQM-MRVPVSSYSA-N 1 2 271.321 -1.131 20 0 CAADLO CN(C)C(=O)N(C)[C@@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC000595829153 373120815 /nfs/dbraw/zinc/12/08/15/373120815.db2.gz WXJSDORZCIZTQM-MRVPVSSYSA-N 1 2 271.321 -1.131 20 0 CAADLO CCOC(=O)[C@H](N)C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000595948645 373121789 /nfs/dbraw/zinc/12/17/89/373121789.db2.gz SRCSAGHILMVUKW-NXEZZACHSA-N 1 2 273.333 -1.286 20 0 CAADLO CCOC(=O)[C@H](N)C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000595948645 373121800 /nfs/dbraw/zinc/12/18/00/373121800.db2.gz SRCSAGHILMVUKW-NXEZZACHSA-N 1 2 273.333 -1.286 20 0 CAADLO CCOC(=O)[C@H](N)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000595967289 373124699 /nfs/dbraw/zinc/12/46/99/373124699.db2.gz RGNJORCVVZZNFR-WDEREUQCSA-N 1 2 285.344 -1.190 20 0 CAADLO CCOC(=O)[C@H](N)C(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000595945669 373126494 /nfs/dbraw/zinc/12/64/94/373126494.db2.gz VXYLAZTZBBYYCY-VHSXEESVSA-N 1 2 273.333 -1.286 20 0 CAADLO CCOC(=O)[C@H](N)C(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000595945669 373126495 /nfs/dbraw/zinc/12/64/95/373126495.db2.gz VXYLAZTZBBYYCY-VHSXEESVSA-N 1 2 273.333 -1.286 20 0 CAADLO CCOC(=O)COCC[N@@H+]1C[C@H](O)C[C@H]1C(N)=O ZINC000596619706 373134680 /nfs/dbraw/zinc/13/46/80/373134680.db2.gz VXDXXGWQOWWPDU-BDAKNGLRSA-N 1 2 260.290 -1.513 20 0 CAADLO CCOC(=O)COCC[N@H+]1C[C@H](O)C[C@H]1C(N)=O ZINC000596619706 373134684 /nfs/dbraw/zinc/13/46/84/373134684.db2.gz VXDXXGWQOWWPDU-BDAKNGLRSA-N 1 2 260.290 -1.513 20 0 CAADLO CC[NH+]1CCN(C(=O)C(=O)N2CCN(C)C(=O)C2)CC1 ZINC000581593695 373136971 /nfs/dbraw/zinc/13/69/71/373136971.db2.gz MBXOEEXDYATFLO-UHFFFAOYSA-N 1 2 282.344 -1.549 20 0 CAADLO CC(=O)NCC[N@@H+](C)CC(=O)NCC(=O)N1CCCC1 ZINC000563085903 373170837 /nfs/dbraw/zinc/17/08/37/373170837.db2.gz RSALPCYUOYJGGK-UHFFFAOYSA-N 1 2 284.360 -1.207 20 0 CAADLO CC(=O)NCC[N@H+](C)CC(=O)NCC(=O)N1CCCC1 ZINC000563085903 373170848 /nfs/dbraw/zinc/17/08/48/373170848.db2.gz RSALPCYUOYJGGK-UHFFFAOYSA-N 1 2 284.360 -1.207 20 0 CAADLO COC(=O)CN(CC[NH+]1CCOCC1)C(=O)[C@H]1CC(=O)N1 ZINC000597186143 373140195 /nfs/dbraw/zinc/14/01/95/373140195.db2.gz BVXCPMVCECDYDK-SNVBAGLBSA-N 1 2 299.327 -1.791 20 0 CAADLO CNS(=O)(=O)[C@@H]1CCC[N@@H+]([C@H]2CC(=O)N(C)C2=O)C1 ZINC000603510481 373213582 /nfs/dbraw/zinc/21/35/82/373213582.db2.gz LXJHXIHAFYRKIB-BDAKNGLRSA-N 1 2 289.357 -1.243 20 0 CAADLO CNS(=O)(=O)[C@@H]1CCC[N@H+]([C@H]2CC(=O)N(C)C2=O)C1 ZINC000603510481 373213590 /nfs/dbraw/zinc/21/35/90/373213590.db2.gz LXJHXIHAFYRKIB-BDAKNGLRSA-N 1 2 289.357 -1.243 20 0 CAADLO CN(C)S(=O)(=O)N1CC[NH+](C[C@@H]2COCCO2)CC1 ZINC000603506900 373215152 /nfs/dbraw/zinc/21/51/52/373215152.db2.gz YWKXRHYCLTWBDS-LLVKDONJSA-N 1 2 293.389 -1.174 20 0 CAADLO CCOC[C@@H](O)C[NH+]1CCN(S(=O)(=O)N(C)C)CC1 ZINC000603555423 373215218 /nfs/dbraw/zinc/21/52/18/373215218.db2.gz APFOMLQPKSFBHG-NSHDSACASA-N 1 2 295.405 -1.192 20 0 CAADLO C[C@H](C(=O)NC(N)=O)[N@@H+]1CCC[C@@H](NS(C)(=O)=O)C1 ZINC000603877023 373215835 /nfs/dbraw/zinc/21/58/35/373215835.db2.gz XHLYGHOLNFWUQT-HTQZYQBOSA-N 1 2 292.361 -1.417 20 0 CAADLO C[C@H](C(=O)NC(N)=O)[N@H+]1CCC[C@@H](NS(C)(=O)=O)C1 ZINC000603877023 373215849 /nfs/dbraw/zinc/21/58/49/373215849.db2.gz XHLYGHOLNFWUQT-HTQZYQBOSA-N 1 2 292.361 -1.417 20 0 CAADLO CCNC(=O)C[N@H+](C)[C@@H](C)C(=O)NCC(=O)OC ZINC000603934430 373219589 /nfs/dbraw/zinc/21/95/89/373219589.db2.gz XMERWNMDSWKFLL-QMMMGPOBSA-N 1 2 259.306 -1.268 20 0 CAADLO CCNC(=O)C[N@@H+](C)[C@@H](C)C(=O)NCC(=O)OC ZINC000603934430 373219592 /nfs/dbraw/zinc/21/95/92/373219592.db2.gz XMERWNMDSWKFLL-QMMMGPOBSA-N 1 2 259.306 -1.268 20 0 CAADLO CC[N@H+](CC(=O)N[C@@H](C)C(=O)N(C)C)CC(=O)N(C)C ZINC000051792443 373222538 /nfs/dbraw/zinc/22/25/38/373222538.db2.gz VOUZYUUHKMUYJH-JTQLQIEISA-N 1 2 286.376 -1.011 20 0 CAADLO CC[N@@H+](CC(=O)N[C@@H](C)C(=O)N(C)C)CC(=O)N(C)C ZINC000051792443 373222542 /nfs/dbraw/zinc/22/25/42/373222542.db2.gz VOUZYUUHKMUYJH-JTQLQIEISA-N 1 2 286.376 -1.011 20 0 CAADLO CCOC(=O)C[C@H](O)C[N@@H+]1C[C@@H](O)C[C@H]1C(=O)OC ZINC000599386574 373173580 /nfs/dbraw/zinc/17/35/80/373173580.db2.gz PDSYJCSITPGSDG-GUBZILKMSA-N 1 2 275.301 -1.091 20 0 CAADLO CCOC(=O)C[C@H](O)C[N@H+]1C[C@@H](O)C[C@H]1C(=O)OC ZINC000599386574 373173591 /nfs/dbraw/zinc/17/35/91/373173591.db2.gz PDSYJCSITPGSDG-GUBZILKMSA-N 1 2 275.301 -1.091 20 0 CAADLO CCOC(=O)C[C@H](O)C[N@@H+]1CCO[C@@H](C(=O)NC)C1 ZINC000599356410 373174654 /nfs/dbraw/zinc/17/46/54/373174654.db2.gz DBAOKMZCHXZLRP-VHSXEESVSA-N 1 2 274.317 -1.253 20 0 CAADLO CCOC(=O)C[C@H](O)C[N@H+]1CCO[C@@H](C(=O)NC)C1 ZINC000599356410 373174660 /nfs/dbraw/zinc/17/46/60/373174660.db2.gz DBAOKMZCHXZLRP-VHSXEESVSA-N 1 2 274.317 -1.253 20 0 CAADLO CCOC(=O)C[C@@H](O)C[NH+]1CCN(C(=O)CO)CC1 ZINC000599342693 373174744 /nfs/dbraw/zinc/17/47/44/373174744.db2.gz LDXWGWWMTKJDOJ-SNVBAGLBSA-N 1 2 274.317 -1.563 20 0 CAADLO CCOC(=O)C[C@H](O)C[N@@H+]1CCO[C@H](C(=O)NC)C1 ZINC000599356409 373174771 /nfs/dbraw/zinc/17/47/71/373174771.db2.gz DBAOKMZCHXZLRP-UWVGGRQHSA-N 1 2 274.317 -1.253 20 0 CAADLO CCOC(=O)C[C@H](O)C[N@H+]1CCO[C@H](C(=O)NC)C1 ZINC000599356409 373174775 /nfs/dbraw/zinc/17/47/75/373174775.db2.gz DBAOKMZCHXZLRP-UWVGGRQHSA-N 1 2 274.317 -1.253 20 0 CAADLO CCOC(=O)C[C@@H](O)C[N@@H+]1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC000599319125 373175401 /nfs/dbraw/zinc/17/54/01/373175401.db2.gz KCFFMVBKSOMLPC-NXEZZACHSA-N 1 2 299.327 -2.057 20 0 CAADLO CCOC(=O)C[C@@H](O)C[N@H+]1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC000599319125 373175405 /nfs/dbraw/zinc/17/54/05/373175405.db2.gz KCFFMVBKSOMLPC-NXEZZACHSA-N 1 2 299.327 -2.057 20 0 CAADLO CCOC(=O)C[C@H](O)C[N@@H+]1CCOC[C@H]1CC(N)=O ZINC000599435128 373175421 /nfs/dbraw/zinc/17/54/21/373175421.db2.gz RUHAGWJXMFYASQ-ZJUUUORDSA-N 1 2 274.317 -1.123 20 0 CAADLO CCOC(=O)C[C@H](O)C[N@H+]1CCOC[C@H]1CC(N)=O ZINC000599435128 373175426 /nfs/dbraw/zinc/17/54/26/373175426.db2.gz RUHAGWJXMFYASQ-ZJUUUORDSA-N 1 2 274.317 -1.123 20 0 CAADLO CC[C@@H](C)[C@@H](NC(=O)C[NH+]1C[C@H](O)[C@@H](O)C1)C(=O)OC ZINC000599531173 373179916 /nfs/dbraw/zinc/17/99/16/373179916.db2.gz LNJLIBZADCBDBU-FYLLDIAZSA-N 1 2 288.344 -1.272 20 0 CAADLO COC(=O)[C@]1(OC)CC[N@H+](CC(=O)N2CCNC(=O)C2)C1 ZINC000599569181 373180729 /nfs/dbraw/zinc/18/07/29/373180729.db2.gz MPOAIXPKWLJYHG-ZDUSSCGKSA-N 1 2 299.327 -1.791 20 0 CAADLO COC(=O)[C@]1(OC)CC[N@@H+](CC(=O)N2CCNC(=O)C2)C1 ZINC000599569181 373180738 /nfs/dbraw/zinc/18/07/38/373180738.db2.gz MPOAIXPKWLJYHG-ZDUSSCGKSA-N 1 2 299.327 -1.791 20 0 CAADLO CNC(=O)NC(=O)C[N@@H+]1CC[C@@](OC)(C(=O)OC)C1 ZINC000599568685 373180950 /nfs/dbraw/zinc/18/09/50/373180950.db2.gz HXBVWSSQJDZDDH-NSHDSACASA-N 1 2 273.289 -1.294 20 0 CAADLO CNC(=O)NC(=O)C[N@H+]1CC[C@@](OC)(C(=O)OC)C1 ZINC000599568685 373180956 /nfs/dbraw/zinc/18/09/56/373180956.db2.gz HXBVWSSQJDZDDH-NSHDSACASA-N 1 2 273.289 -1.294 20 0 CAADLO CNC(=O)NC[C@H]1C[N@H+](C[C@](C)(O)C(=O)OC)CCO1 ZINC000599539417 373181073 /nfs/dbraw/zinc/18/10/73/373181073.db2.gz CPWYMDYCIMHBMN-CABZTGNLSA-N 1 2 289.332 -1.460 20 0 CAADLO CNC(=O)NC[C@H]1C[N@@H+](C[C@](C)(O)C(=O)OC)CCO1 ZINC000599539417 373181082 /nfs/dbraw/zinc/18/10/82/373181082.db2.gz CPWYMDYCIMHBMN-CABZTGNLSA-N 1 2 289.332 -1.460 20 0 CAADLO COC(=O)[C@@H]1C[N@H+](CCCS(N)(=O)=O)C[C@@H](C)O1 ZINC000599600516 373181796 /nfs/dbraw/zinc/18/17/96/373181796.db2.gz JYNDTDOWSJCLRY-BDAKNGLRSA-N 1 2 280.346 -1.073 20 0 CAADLO COC(=O)[C@@H]1C[N@@H+](CCCS(N)(=O)=O)C[C@@H](C)O1 ZINC000599600516 373181803 /nfs/dbraw/zinc/18/18/03/373181803.db2.gz JYNDTDOWSJCLRY-BDAKNGLRSA-N 1 2 280.346 -1.073 20 0 CAADLO COC(=O)[C@@]1(OC)CC[N@H+](CC(=O)N2CCNC(=O)C2)C1 ZINC000599569180 373182046 /nfs/dbraw/zinc/18/20/46/373182046.db2.gz MPOAIXPKWLJYHG-CYBMUJFWSA-N 1 2 299.327 -1.791 20 0 CAADLO COC(=O)[C@@]1(OC)CC[N@@H+](CC(=O)N2CCNC(=O)C2)C1 ZINC000599569180 373182057 /nfs/dbraw/zinc/18/20/57/373182057.db2.gz MPOAIXPKWLJYHG-CYBMUJFWSA-N 1 2 299.327 -1.791 20 0 CAADLO COC(=O)[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@@H](C)O1 ZINC000599600483 373182525 /nfs/dbraw/zinc/18/25/25/373182525.db2.gz IAGXGFNDYLUYKU-BDAKNGLRSA-N 1 2 285.300 -1.200 20 0 CAADLO COC(=O)[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@@H](C)O1 ZINC000599600483 373182533 /nfs/dbraw/zinc/18/25/33/373182533.db2.gz IAGXGFNDYLUYKU-BDAKNGLRSA-N 1 2 285.300 -1.200 20 0 CAADLO CN(Cc1[nH]cc[nH+]1)C(=O)NCCN1CCNC(=O)C1 ZINC000637035013 373224487 /nfs/dbraw/zinc/22/44/87/373224487.db2.gz SXJSDXARJDLHKC-UHFFFAOYSA-N 1 2 280.332 -1.017 20 0 CAADLO COC(=O)[C@H](C)[NH+]1CCC(NS(N)(=O)=O)CC1 ZINC000599646732 373183540 /nfs/dbraw/zinc/18/35/40/373183540.db2.gz KJVXPRUPWUGSIK-ZETCQYMHSA-N 1 2 265.335 -1.195 20 0 CAADLO CCOC(=O)[C@@](C)(O)C[N@@H+]1CCO[C@H](CC(N)=O)C1 ZINC000599666614 373183889 /nfs/dbraw/zinc/18/38/89/373183889.db2.gz YPFWFTIOWBDYKE-SKDRFNHKSA-N 1 2 274.317 -1.123 20 0 CAADLO CCOC(=O)[C@@](C)(O)C[N@H+]1CCO[C@H](CC(N)=O)C1 ZINC000599666614 373183892 /nfs/dbraw/zinc/18/38/92/373183892.db2.gz YPFWFTIOWBDYKE-SKDRFNHKSA-N 1 2 274.317 -1.123 20 0 CAADLO CCOC(=O)C[C@@H](O)C[N@@H+]1CCO[C@H](CC(N)=O)C1 ZINC000599658345 373184203 /nfs/dbraw/zinc/18/42/03/373184203.db2.gz ARCABGUSUGXRSI-NXEZZACHSA-N 1 2 274.317 -1.123 20 0 CAADLO CCOC(=O)C[C@@H](O)C[N@H+]1CCO[C@H](CC(N)=O)C1 ZINC000599658345 373184213 /nfs/dbraw/zinc/18/42/13/373184213.db2.gz ARCABGUSUGXRSI-NXEZZACHSA-N 1 2 274.317 -1.123 20 0 CAADLO COC(=O)[C@@H]1CN(C(=O)Cc2ncn[nH]2)CC[N@H+](C)C1 ZINC000601633218 373189968 /nfs/dbraw/zinc/18/99/68/373189968.db2.gz USUFBPLGPWKLGS-VIFPVBQESA-N 1 2 281.316 -1.090 20 0 CAADLO COC(=O)[C@@H]1CN(C(=O)Cc2ncn[nH]2)CC[N@@H+](C)C1 ZINC000601633218 373189974 /nfs/dbraw/zinc/18/99/74/373189974.db2.gz USUFBPLGPWKLGS-VIFPVBQESA-N 1 2 281.316 -1.090 20 0 CAADLO CSC[C@@H](O)C[NH+]1CC(NS(C)(=O)=O)C1 ZINC000601962945 373191242 /nfs/dbraw/zinc/19/12/42/373191242.db2.gz HMNVEARFHWPLFI-QMMMGPOBSA-N 1 2 254.377 -1.056 20 0 CAADLO C[N@@H+]1CCOC[C@H]1CNC(=O)N[C@H]1CCCNC1=O ZINC000636699223 373192351 /nfs/dbraw/zinc/19/23/51/373192351.db2.gz RLGSPSMOQZZRLL-ZJUUUORDSA-N 1 2 270.333 -1.105 20 0 CAADLO C[N@H+]1CCOC[C@H]1CNC(=O)N[C@H]1CCCNC1=O ZINC000636699223 373192358 /nfs/dbraw/zinc/19/23/58/373192358.db2.gz RLGSPSMOQZZRLL-ZJUUUORDSA-N 1 2 270.333 -1.105 20 0 CAADLO COC(=O)C[C@H](C)[NH+]1CCN(C(=O)C(N)=O)CC1 ZINC000602106386 373194778 /nfs/dbraw/zinc/19/47/78/373194778.db2.gz HIMVUORXPUTKTL-QMMMGPOBSA-N 1 2 257.290 -1.433 20 0 CAADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(N)=O)[C@@H](C)C1 ZINC000602134356 373195386 /nfs/dbraw/zinc/19/53/86/373195386.db2.gz VGGHYMKWSGCLJZ-QMMMGPOBSA-N 1 2 257.290 -1.433 20 0 CAADLO COC(=O)CC[N@H+]1CCN(C(=O)C(N)=O)[C@@H](C)C1 ZINC000602134356 373195394 /nfs/dbraw/zinc/19/53/94/373195394.db2.gz VGGHYMKWSGCLJZ-QMMMGPOBSA-N 1 2 257.290 -1.433 20 0 CAADLO CC[C@@H](NC(=O)[C@H](C)N1CC[NH2+]CC1=O)C(=O)OC ZINC000602440630 373196441 /nfs/dbraw/zinc/19/64/41/373196441.db2.gz RROONQHNEYHUAG-DTWKUNHWSA-N 1 2 271.317 -1.126 20 0 CAADLO O=C(NCCC[N@@H+]1CCNC(=O)C1)c1cc(=O)[nH]cn1 ZINC000626250250 373196465 /nfs/dbraw/zinc/19/64/65/373196465.db2.gz DTDRROJPMZWZPV-UHFFFAOYSA-N 1 2 279.300 -1.266 20 0 CAADLO O=C(NCCC[N@H+]1CCNC(=O)C1)c1cc(=O)[nH]cn1 ZINC000626250250 373196472 /nfs/dbraw/zinc/19/64/72/373196472.db2.gz DTDRROJPMZWZPV-UHFFFAOYSA-N 1 2 279.300 -1.266 20 0 CAADLO CCOC(=O)CNC(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000602438459 373197210 /nfs/dbraw/zinc/19/72/10/373197210.db2.gz JHONLEIAQLAGFX-QMMMGPOBSA-N 1 2 257.290 -1.514 20 0 CAADLO CCOC(=O)CCNC(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000602440106 373197920 /nfs/dbraw/zinc/19/79/20/373197920.db2.gz OBIQZVBLYPUBAY-VIFPVBQESA-N 1 2 271.317 -1.124 20 0 CAADLO COC(=O)[C@]1(NC(=O)[C@@H](C)N2CC[NH2+]CC2=O)CCOC1 ZINC000602465680 373199218 /nfs/dbraw/zinc/19/92/18/373199218.db2.gz JXSROTPYMTZFDJ-RNCFNFMXSA-N 1 2 299.327 -1.745 20 0 CAADLO COC(=O)CCCNC(=O)[C@@H](C)N1CC[NH2+]CC1=O ZINC000602433339 373199301 /nfs/dbraw/zinc/19/93/01/373199301.db2.gz LNWZXJCWBDEEMN-SECBINFHSA-N 1 2 271.317 -1.124 20 0 CAADLO COC(=O)[C@H](C)NC(=O)[C@@H](C)N1CC[NH2+]CC1=O ZINC000602444890 373199764 /nfs/dbraw/zinc/19/97/64/373199764.db2.gz RLORZKAYYZLJSG-JGVFFNPUSA-N 1 2 257.290 -1.516 20 0 CAADLO COC(=O)[C@@H]1CN(C(=O)[C@@H](C)N2CC[NH2+]CC2=O)CCO1 ZINC000602519031 373200080 /nfs/dbraw/zinc/20/00/80/373200080.db2.gz DNQRIJBYDVPBJY-ZJUUUORDSA-N 1 2 299.327 -1.793 20 0 CAADLO COC(=O)[C@@H](NC(=O)[C@H](C)N1CC[NH2+]CC1=O)C1CC1 ZINC000602456666 373200183 /nfs/dbraw/zinc/20/01/83/373200183.db2.gz CBSWAYGPFFISRY-KWQFWETISA-N 1 2 283.328 -1.126 20 0 CAADLO COC(=O)[C@H](C)CNC(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000602452629 373200392 /nfs/dbraw/zinc/20/03/92/373200392.db2.gz DUMJSVROLJCEDK-BDAKNGLRSA-N 1 2 271.317 -1.268 20 0 CAADLO COC(=O)[C@H](NC(=O)[C@@H](C)N1CC[NH2+]CC1=O)C1CC1 ZINC000602456667 373200425 /nfs/dbraw/zinc/20/04/25/373200425.db2.gz CBSWAYGPFFISRY-LDYMZIIASA-N 1 2 283.328 -1.126 20 0 CAADLO COC[C@H](NC(=O)[C@H](C)N1CC[NH2+]CC1=O)C(=O)OC ZINC000602504944 373202892 /nfs/dbraw/zinc/20/28/92/373202892.db2.gz OKHCJPIRJAZMNP-IUCAKERBSA-N 1 2 287.316 -1.889 20 0 CAADLO COC[C@@H](NC(=O)[C@H](C)N1CC[NH2+]CC1=O)C(=O)OC ZINC000602504943 373203669 /nfs/dbraw/zinc/20/36/69/373203669.db2.gz OKHCJPIRJAZMNP-DTWKUNHWSA-N 1 2 287.316 -1.889 20 0 CAADLO COC(=O)C1(CNC(=O)[C@@H](C)N2CC[NH2+]CC2=O)CC1 ZINC000602507787 373203876 /nfs/dbraw/zinc/20/38/76/373203876.db2.gz KAXQWQCGPDILTB-SECBINFHSA-N 1 2 283.328 -1.124 20 0 CAADLO COC(=O)[C@H]1C[C@H](NC(=O)[C@H](C)N2CC[NH2+]CC2=O)C1 ZINC000602536187 373203920 /nfs/dbraw/zinc/20/39/20/373203920.db2.gz QSVDPAQILHXTGZ-GUBZILKMSA-N 1 2 283.328 -1.126 20 0 CAADLO CCOC(=O)[C@H](N)C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000602544976 373204339 /nfs/dbraw/zinc/20/43/39/373204339.db2.gz GFMSRMYQSNKWQV-RKDXNWHRSA-N 1 2 259.306 -1.676 20 0 CAADLO CCOC(=O)[C@H](N)C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000602544976 373204348 /nfs/dbraw/zinc/20/43/48/373204348.db2.gz GFMSRMYQSNKWQV-RKDXNWHRSA-N 1 2 259.306 -1.676 20 0 CAADLO COC(=O)CNC(=O)[C@@H]1CCC[N@@H+]1CC(=O)N(C)C ZINC000602845557 373205508 /nfs/dbraw/zinc/20/55/08/373205508.db2.gz KGBPFIWWUUHASH-VIFPVBQESA-N 1 2 271.317 -1.172 20 0 CAADLO COC(=O)CNC(=O)[C@@H]1CCC[N@H+]1CC(=O)N(C)C ZINC000602845557 373205519 /nfs/dbraw/zinc/20/55/19/373205519.db2.gz KGBPFIWWUUHASH-VIFPVBQESA-N 1 2 271.317 -1.172 20 0 CAADLO COC(=O)c1ccn(CC(=O)N2CC[NH+](CCO)CC2)n1 ZINC000602775523 373206480 /nfs/dbraw/zinc/20/64/80/373206480.db2.gz LCTIETJQOPPKIU-UHFFFAOYSA-N 1 2 296.327 -1.194 20 0 CAADLO CC[C@H](C)[C@@H]1CN(CC(N)=O)CC[N@@H+]1CC(N)=O ZINC000337974031 373271652 /nfs/dbraw/zinc/27/16/52/373271652.db2.gz DGBZLAAWBLOOBW-UWVGGRQHSA-N 1 2 256.350 -1.011 20 0 CAADLO CC[C@H](C)[C@@H]1CN(CC(N)=O)CC[N@H+]1CC(N)=O ZINC000337974031 373271663 /nfs/dbraw/zinc/27/16/63/373271663.db2.gz DGBZLAAWBLOOBW-UWVGGRQHSA-N 1 2 256.350 -1.011 20 0 CAADLO CC[C@H](C)[C@@H]1C[N@H+](CC(N)=O)CCN1CC(N)=O ZINC000337974031 373271671 /nfs/dbraw/zinc/27/16/71/373271671.db2.gz DGBZLAAWBLOOBW-UWVGGRQHSA-N 1 2 256.350 -1.011 20 0 CAADLO CC[C@H](C)[C@@H]1C[N@@H+](CC(N)=O)CCN1CC(N)=O ZINC000337974031 373271681 /nfs/dbraw/zinc/27/16/81/373271681.db2.gz DGBZLAAWBLOOBW-UWVGGRQHSA-N 1 2 256.350 -1.011 20 0 CAADLO CCS(=O)(=O)N(C)CC(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000365909799 373272735 /nfs/dbraw/zinc/27/27/35/373272735.db2.gz XMDWNUDDVJLFDQ-JTQLQIEISA-N 1 2 293.389 -1.285 20 0 CAADLO CCS(=O)(=O)N(C)CC(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000365909799 373272739 /nfs/dbraw/zinc/27/27/39/373272739.db2.gz XMDWNUDDVJLFDQ-JTQLQIEISA-N 1 2 293.389 -1.285 20 0 CAADLO COC(=O)[C@@H](O)CNC(=O)C(C)(C)[NH+]1CCOCC1 ZINC000338174563 373274333 /nfs/dbraw/zinc/27/43/33/373274333.db2.gz OQOOYYUFBLIUJT-VIFPVBQESA-N 1 2 274.317 -1.253 20 0 CAADLO COC(=O)[C@@H](CO)NC(=O)C[N@H+](C)CC(=O)NC(C)C ZINC000356028751 373275372 /nfs/dbraw/zinc/27/53/72/373275372.db2.gz LIWNPKPUMMXKLB-SECBINFHSA-N 1 2 289.332 -1.907 20 0 CAADLO COC(=O)[C@@H](CO)NC(=O)C[N@@H+](C)CC(=O)NC(C)C ZINC000356028751 373275381 /nfs/dbraw/zinc/27/53/81/373275381.db2.gz LIWNPKPUMMXKLB-SECBINFHSA-N 1 2 289.332 -1.907 20 0 CAADLO CC[NH+]1CCN(C(=O)C(=O)NC[C@@H]2COCCN2C)CC1 ZINC000637109582 373229253 /nfs/dbraw/zinc/22/92/53/373229253.db2.gz VSIBHCFRBUXDOQ-GFCCVEGCSA-N 1 2 298.387 -1.403 20 0 CAADLO CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)C[NH+](C)C ZINC000617879862 373233579 /nfs/dbraw/zinc/23/35/79/373233579.db2.gz HNWLQDMLICKELT-JGVFFNPUSA-N 1 2 250.320 -1.524 20 0 CAADLO CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)C[NH+](C)C ZINC000617879861 373234002 /nfs/dbraw/zinc/23/40/02/373234002.db2.gz HNWLQDMLICKELT-HTQZYQBOSA-N 1 2 250.320 -1.524 20 0 CAADLO CC[NH+]1CCN(C(=O)C(=O)N[C@H]2CCCN(C)C2=O)CC1 ZINC000354047494 373234067 /nfs/dbraw/zinc/23/40/67/373234067.db2.gz LPCIEBCFHKQRKW-NSHDSACASA-N 1 2 296.371 -1.113 20 0 CAADLO CCN(CC(=O)OC)C(=O)CN1CC[NH2+]CC1=O ZINC000563159469 373234974 /nfs/dbraw/zinc/23/49/74/373234974.db2.gz IOKDLZKVVBIPEM-UHFFFAOYSA-N 1 2 257.290 -1.560 20 0 CAADLO CS(=O)(=O)N1CC[C@H](C[N@@H+]2CCNC(=O)C2)C1 ZINC000338235688 373277627 /nfs/dbraw/zinc/27/76/27/373277627.db2.gz QXUDLKZHUBEQBK-SECBINFHSA-N 1 2 261.347 -1.300 20 0 CAADLO CS(=O)(=O)N1CC[C@H](C[N@H+]2CCNC(=O)C2)C1 ZINC000338235688 373277639 /nfs/dbraw/zinc/27/76/39/373277639.db2.gz QXUDLKZHUBEQBK-SECBINFHSA-N 1 2 261.347 -1.300 20 0 CAADLO CNS(=O)(=O)[C@H]1CCC[N@@H+]([C@H](C)C(=O)NC(N)=O)C1 ZINC000369289015 373239283 /nfs/dbraw/zinc/23/92/83/373239283.db2.gz WKTBTNUFKPVESY-SFYZADRCSA-N 1 2 292.361 -1.417 20 0 CAADLO CNS(=O)(=O)[C@H]1CCC[N@H+]([C@H](C)C(=O)NC(N)=O)C1 ZINC000369289015 373239289 /nfs/dbraw/zinc/23/92/89/373239289.db2.gz WKTBTNUFKPVESY-SFYZADRCSA-N 1 2 292.361 -1.417 20 0 CAADLO CN1C[C@H](C(=O)N2CCC[N@H+](CC(N)=O)CC2)CC1=O ZINC000365584795 373240776 /nfs/dbraw/zinc/24/07/76/373240776.db2.gz GDBPZQYNFYWZAV-SNVBAGLBSA-N 1 2 282.344 -1.516 20 0 CAADLO CN1C[C@H](C(=O)N2CCC[N@@H+](CC(N)=O)CC2)CC1=O ZINC000365584795 373240781 /nfs/dbraw/zinc/24/07/81/373240781.db2.gz GDBPZQYNFYWZAV-SNVBAGLBSA-N 1 2 282.344 -1.516 20 0 CAADLO CCN1C[C@@H](C(=O)N2CCC[N@H+](CC(N)=O)CC2)CC1=O ZINC000365584764 373241902 /nfs/dbraw/zinc/24/19/02/373241902.db2.gz FSCIHAPLARVSPG-NSHDSACASA-N 1 2 296.371 -1.126 20 0 CAADLO CCN1C[C@@H](C(=O)N2CCC[N@@H+](CC(N)=O)CC2)CC1=O ZINC000365584764 373241903 /nfs/dbraw/zinc/24/19/03/373241903.db2.gz FSCIHAPLARVSPG-NSHDSACASA-N 1 2 296.371 -1.126 20 0 CAADLO C[C@@H](O)CCC[NH+]1CCN(S(N)(=O)=O)CC1 ZINC000336660460 373244471 /nfs/dbraw/zinc/24/44/71/373244471.db2.gz NMSXDGAMOIMHGT-SECBINFHSA-N 1 2 251.352 -1.032 20 0 CAADLO CCS(=O)(=O)N1CC[NH+](CCCS(N)(=O)=O)CC1 ZINC000336737412 373245842 /nfs/dbraw/zinc/24/58/42/373245842.db2.gz ZXZWYUBKKWWOFT-UHFFFAOYSA-N 1 2 299.418 -1.368 20 0 CAADLO NS(=O)(=O)CCC[N@@H+]1CCN(C2CC2)C(=O)C1 ZINC000336721581 373246244 /nfs/dbraw/zinc/24/62/44/373246244.db2.gz ZMSKIPZFXYJUCF-UHFFFAOYSA-N 1 2 261.347 -1.028 20 0 CAADLO NS(=O)(=O)CCC[N@H+]1CCN(C2CC2)C(=O)C1 ZINC000336721581 373246254 /nfs/dbraw/zinc/24/62/54/373246254.db2.gz ZMSKIPZFXYJUCF-UHFFFAOYSA-N 1 2 261.347 -1.028 20 0 CAADLO NS(=O)(=O)N1CC[NH+]([C@@H]2CCCNC2=O)CC1 ZINC000336697463 373247418 /nfs/dbraw/zinc/24/74/18/373247418.db2.gz KHOZQEOPXRBIFR-MRVPVSSYSA-N 1 2 262.335 -1.914 20 0 CAADLO CC[N@@H+]1CCOC[C@H]1C(=O)N1CC[C@@H]2OCC(=O)N[C@H]2C1 ZINC000637334050 373247535 /nfs/dbraw/zinc/24/75/35/373247535.db2.gz NDINJODMWQFATI-SRVKXCTJSA-N 1 2 297.355 -1.177 20 0 CAADLO CC[N@H+]1CCOC[C@H]1C(=O)N1CC[C@@H]2OCC(=O)N[C@H]2C1 ZINC000637334050 373247543 /nfs/dbraw/zinc/24/75/43/373247543.db2.gz NDINJODMWQFATI-SRVKXCTJSA-N 1 2 297.355 -1.177 20 0 CAADLO NS(=O)(=O)CCC[NH+]1CCN(S(N)(=O)=O)CC1 ZINC000336687269 373247954 /nfs/dbraw/zinc/24/79/54/373247954.db2.gz GOMZFYILAHIERA-UHFFFAOYSA-N 1 2 286.379 -2.514 20 0 CAADLO Cc1c(C[N@@H+]2CCN3C(=O)C(=O)NC[C@H]3C2)cnn1C ZINC000336825431 373249489 /nfs/dbraw/zinc/24/94/89/373249489.db2.gz YONSDHBTICKHKY-NSHDSACASA-N 1 2 277.328 -1.129 20 0 CAADLO Cc1c(C[N@H+]2CCN3C(=O)C(=O)NC[C@H]3C2)cnn1C ZINC000336825431 373249496 /nfs/dbraw/zinc/24/94/96/373249496.db2.gz YONSDHBTICKHKY-NSHDSACASA-N 1 2 277.328 -1.129 20 0 CAADLO C[N@@H+]1CCOC[C@H]1CNC(=O)N[C@@H]1COCC[C@H]1O ZINC000637439683 373256045 /nfs/dbraw/zinc/25/60/45/373256045.db2.gz CDUDZWZKGMWKLE-GMTAPVOTSA-N 1 2 273.333 -1.234 20 0 CAADLO C[N@H+]1CCOC[C@H]1CNC(=O)N[C@@H]1COCC[C@H]1O ZINC000637439683 373256055 /nfs/dbraw/zinc/25/60/55/373256055.db2.gz CDUDZWZKGMWKLE-GMTAPVOTSA-N 1 2 273.333 -1.234 20 0 CAADLO C[N@@H+]1CCOC[C@H]1CNC(=O)N1CCC[C@](O)(CO)C1 ZINC000637440151 373256120 /nfs/dbraw/zinc/25/61/20/373256120.db2.gz GNAFYZHMSHFNJL-DGCLKSJQSA-N 1 2 287.360 -1.154 20 0 CAADLO C[N@H+]1CCOC[C@H]1CNC(=O)N1CCC[C@](O)(CO)C1 ZINC000637440151 373256127 /nfs/dbraw/zinc/25/61/27/373256127.db2.gz GNAFYZHMSHFNJL-DGCLKSJQSA-N 1 2 287.360 -1.154 20 0 CAADLO C[C@@H]1C(=O)NCCN1C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000637442002 373256201 /nfs/dbraw/zinc/25/62/01/373256201.db2.gz CQTPAJZWOZOZCW-ZJUUUORDSA-N 1 2 270.333 -1.153 20 0 CAADLO C[C@@H]1C(=O)NCCN1C(=O)NC[C@H]1COCC[N@H+]1C ZINC000637442002 373256211 /nfs/dbraw/zinc/25/62/11/373256211.db2.gz CQTPAJZWOZOZCW-ZJUUUORDSA-N 1 2 270.333 -1.153 20 0 CAADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)N1CC[C@@H](NC(N)=O)C1 ZINC000637442071 373256343 /nfs/dbraw/zinc/25/63/43/373256343.db2.gz FKMIPZSPCMCZGA-ZJUUUORDSA-N 1 2 285.348 -1.231 20 0 CAADLO C[N@H+]1CCOC[C@@H]1CNC(=O)N1CC[C@@H](NC(N)=O)C1 ZINC000637442071 373256350 /nfs/dbraw/zinc/25/63/50/373256350.db2.gz FKMIPZSPCMCZGA-ZJUUUORDSA-N 1 2 285.348 -1.231 20 0 CAADLO C[N@@H+]1CCOC[C@H]1CNC(=O)N1CCN2C(=O)N=NC2C1 ZINC000637440909 373256748 /nfs/dbraw/zinc/25/67/48/373256748.db2.gz VZHQATYGXOJVQL-SECBINFHSA-N 1 2 296.331 -1.161 20 0 CAADLO C[N@H+]1CCOC[C@H]1CNC(=O)N1CCN2C(=O)N=NC2C1 ZINC000637440909 373256751 /nfs/dbraw/zinc/25/67/51/373256751.db2.gz VZHQATYGXOJVQL-SECBINFHSA-N 1 2 296.331 -1.161 20 0 CAADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)N1CC[C@H](NC(N)=O)C1 ZINC000637442065 373256791 /nfs/dbraw/zinc/25/67/91/373256791.db2.gz FKMIPZSPCMCZGA-UWVGGRQHSA-N 1 2 285.348 -1.231 20 0 CAADLO C[N@H+]1CCOC[C@@H]1CNC(=O)N1CC[C@H](NC(N)=O)C1 ZINC000637442065 373256795 /nfs/dbraw/zinc/25/67/95/373256795.db2.gz FKMIPZSPCMCZGA-UWVGGRQHSA-N 1 2 285.348 -1.231 20 0 CAADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)N[C@@H]1COC[C@H]1O ZINC000637441199 373257170 /nfs/dbraw/zinc/25/71/70/373257170.db2.gz JOCMTFSSLJMXRC-IVZWLZJFSA-N 1 2 259.306 -1.624 20 0 CAADLO C[N@H+]1CCOC[C@@H]1CNC(=O)N[C@@H]1COC[C@H]1O ZINC000637441199 373257176 /nfs/dbraw/zinc/25/71/76/373257176.db2.gz JOCMTFSSLJMXRC-IVZWLZJFSA-N 1 2 259.306 -1.624 20 0 CAADLO CC[C@@H](NC(=O)NC[C@@H]1COCC[N@@H+]1C)C(N)=O ZINC000637440345 373257223 /nfs/dbraw/zinc/25/72/23/373257223.db2.gz INTSOLXSRWPXMM-RKDXNWHRSA-N 1 2 258.322 -1.120 20 0 CAADLO CC[C@@H](NC(=O)NC[C@@H]1COCC[N@H+]1C)C(N)=O ZINC000637440345 373257230 /nfs/dbraw/zinc/25/72/30/373257230.db2.gz INTSOLXSRWPXMM-RKDXNWHRSA-N 1 2 258.322 -1.120 20 0 CAADLO C[C@H]1CN(C(=O)NC[C@H]2COCC[N@@H+]2C)CC(=O)N1 ZINC000637442217 373257262 /nfs/dbraw/zinc/25/72/62/373257262.db2.gz POIFBGASJXCAAG-UWVGGRQHSA-N 1 2 270.333 -1.153 20 0 CAADLO C[C@H]1CN(C(=O)NC[C@H]2COCC[N@H+]2C)CC(=O)N1 ZINC000637442217 373257266 /nfs/dbraw/zinc/25/72/66/373257266.db2.gz POIFBGASJXCAAG-UWVGGRQHSA-N 1 2 270.333 -1.153 20 0 CAADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)N1CCOC[C@H](O)C1 ZINC000637443333 373258266 /nfs/dbraw/zinc/25/82/66/373258266.db2.gz XKDNGHMDBUHGPX-WDEREUQCSA-N 1 2 273.333 -1.280 20 0 CAADLO C[N@H+]1CCOC[C@@H]1CNC(=O)N1CCOC[C@H](O)C1 ZINC000637443333 373258273 /nfs/dbraw/zinc/25/82/73/373258273.db2.gz XKDNGHMDBUHGPX-WDEREUQCSA-N 1 2 273.333 -1.280 20 0 CAADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)N1CCNC(=O)C1 ZINC000637445334 373259238 /nfs/dbraw/zinc/25/92/38/373259238.db2.gz JNFQVQZMXUVDCY-VIFPVBQESA-N 1 2 256.306 -1.542 20 0 CAADLO C[N@H+]1CCOC[C@@H]1CNC(=O)N1CCNC(=O)C1 ZINC000637445334 373259243 /nfs/dbraw/zinc/25/92/43/373259243.db2.gz JNFQVQZMXUVDCY-VIFPVBQESA-N 1 2 256.306 -1.542 20 0 CAADLO Cn1cc(OCC(=O)NCCC[N@@H+]2CCNC(=O)C2)cn1 ZINC000337485371 373260439 /nfs/dbraw/zinc/26/04/39/373260439.db2.gz YWMJRCJNVGYKES-UHFFFAOYSA-N 1 2 295.343 -1.263 20 0 CAADLO Cn1cc(OCC(=O)NCCC[N@H+]2CCNC(=O)C2)cn1 ZINC000337485371 373260454 /nfs/dbraw/zinc/26/04/54/373260454.db2.gz YWMJRCJNVGYKES-UHFFFAOYSA-N 1 2 295.343 -1.263 20 0 CAADLO CCNC(=O)CCN1CCO[C@@H](C[N@H+](C)CC(N)=O)C1 ZINC000337467963 373260771 /nfs/dbraw/zinc/26/07/71/373260771.db2.gz NWKLFXRQTBAGKN-NSHDSACASA-N 1 2 286.376 -1.370 20 0 CAADLO CCNC(=O)CCN1CCO[C@@H](C[N@@H+](C)CC(N)=O)C1 ZINC000337467963 373260777 /nfs/dbraw/zinc/26/07/77/373260777.db2.gz NWKLFXRQTBAGKN-NSHDSACASA-N 1 2 286.376 -1.370 20 0 CAADLO O=C(CN1CCOCC1=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000365722406 373261981 /nfs/dbraw/zinc/26/19/81/373261981.db2.gz CNJBKLQJPMWVKU-LBPRGKRZSA-N 1 2 297.355 -1.222 20 0 CAADLO Cn1cc(OCC(=O)NC[C@H](O)C[NH+]2CCOCC2)cn1 ZINC000337505800 373262198 /nfs/dbraw/zinc/26/21/98/373262198.db2.gz QHUBCTBDIZACSI-NSHDSACASA-N 1 2 298.343 -1.392 20 0 CAADLO C[N@@H+]1CCOC[C@H]1CNC(=O)N1CCNC(=O)CC1 ZINC000637449246 373262241 /nfs/dbraw/zinc/26/22/41/373262241.db2.gz ZCEWJGSUKWJRPT-SNVBAGLBSA-N 1 2 270.333 -1.152 20 0 CAADLO C[N@H+]1CCOC[C@H]1CNC(=O)N1CCNC(=O)CC1 ZINC000637449246 373262246 /nfs/dbraw/zinc/26/22/46/373262246.db2.gz ZCEWJGSUKWJRPT-SNVBAGLBSA-N 1 2 270.333 -1.152 20 0 CAADLO CN(CCOCCO)C(=O)NCC[NH+]1CCOCC1 ZINC000337646063 373263391 /nfs/dbraw/zinc/26/33/91/373263391.db2.gz HZWMRVJRDVYEEM-UHFFFAOYSA-N 1 2 275.349 -1.031 20 0 CAADLO CC1(C)NC(=O)N(CC[N@@H+]2CCO[C@@H](C(N)=O)C2)C1=O ZINC000051104643 373264089 /nfs/dbraw/zinc/26/40/89/373264089.db2.gz WTDLQUYSUDQKLZ-MRVPVSSYSA-N 1 2 284.316 -1.497 20 0 CAADLO CC1(C)NC(=O)N(CC[N@H+]2CCO[C@@H](C(N)=O)C2)C1=O ZINC000051104643 373264104 /nfs/dbraw/zinc/26/41/04/373264104.db2.gz WTDLQUYSUDQKLZ-MRVPVSSYSA-N 1 2 284.316 -1.497 20 0 CAADLO CC(C)NC(=O)C[N@H+](C)CC(=O)N(C)CCOCCO ZINC000337622941 373264473 /nfs/dbraw/zinc/26/44/73/373264473.db2.gz SMIAEEAFJVFCTD-UHFFFAOYSA-N 1 2 289.376 -1.090 20 0 CAADLO CC(C)NC(=O)C[N@@H+](C)CC(=O)N(C)CCOCCO ZINC000337622941 373264480 /nfs/dbraw/zinc/26/44/80/373264480.db2.gz SMIAEEAFJVFCTD-UHFFFAOYSA-N 1 2 289.376 -1.090 20 0 CAADLO CC1(C)NC(=O)N(CCC[N@@H+]2CCO[C@@H](C(N)=O)C2)C1=O ZINC000051104303 373265076 /nfs/dbraw/zinc/26/50/76/373265076.db2.gz AAONYWIWHNZHRV-SECBINFHSA-N 1 2 298.343 -1.107 20 0 CAADLO CC1(C)NC(=O)N(CCC[N@H+]2CCO[C@@H](C(N)=O)C2)C1=O ZINC000051104303 373265079 /nfs/dbraw/zinc/26/50/79/373265079.db2.gz AAONYWIWHNZHRV-SECBINFHSA-N 1 2 298.343 -1.107 20 0 CAADLO COC(=O)C[C@H]1C(=O)NCC[N@H+]1C[C@H](O)Cn1cccn1 ZINC000051234103 373269402 /nfs/dbraw/zinc/26/94/02/373269402.db2.gz MKJVTQOYZBYFFV-QWRGUYRKSA-N 1 2 296.327 -1.393 20 0 CAADLO COC(=O)C[C@H]1C(=O)NCC[N@@H+]1C[C@H](O)Cn1cccn1 ZINC000051234103 373269410 /nfs/dbraw/zinc/26/94/10/373269410.db2.gz MKJVTQOYZBYFFV-QWRGUYRKSA-N 1 2 296.327 -1.393 20 0 CAADLO C[C@@H](O)CNC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000339188288 373287649 /nfs/dbraw/zinc/28/76/49/373287649.db2.gz IDPKRXFCEUWNFC-VXGBXAGGSA-N 1 2 299.371 -1.336 20 0 CAADLO COC[C@H](CCO)NC(=O)C[N@H+](C)CC(=O)NC(C)C ZINC000339439184 373289103 /nfs/dbraw/zinc/28/91/03/373289103.db2.gz SAQGYWIDEWMPJN-NSHDSACASA-N 1 2 289.376 -1.044 20 0 CAADLO COC[C@H](CCO)NC(=O)C[N@@H+](C)CC(=O)NC(C)C ZINC000339439184 373289113 /nfs/dbraw/zinc/28/91/13/373289113.db2.gz SAQGYWIDEWMPJN-NSHDSACASA-N 1 2 289.376 -1.044 20 0 CAADLO O=C(CNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1)NCCO ZINC000366377390 373289528 /nfs/dbraw/zinc/28/95/28/373289528.db2.gz RPOYHPRPKYHPMX-LBPRGKRZSA-N 1 2 299.371 -1.146 20 0 CAADLO O=C(CNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1)NCCO ZINC000366377390 373289536 /nfs/dbraw/zinc/28/95/36/373289536.db2.gz RPOYHPRPKYHPMX-LBPRGKRZSA-N 1 2 299.371 -1.146 20 0 CAADLO CNS(=O)(=O)CCC[N@H+](C)[C@H](COC)C(N)=O ZINC000339358846 373289826 /nfs/dbraw/zinc/28/98/26/373289826.db2.gz MGDRWFIUBLJYLX-MRVPVSSYSA-N 1 2 267.351 -1.642 20 0 CAADLO CNS(=O)(=O)CCC[N@@H+](C)[C@H](COC)C(N)=O ZINC000339358846 373289835 /nfs/dbraw/zinc/28/98/35/373289835.db2.gz MGDRWFIUBLJYLX-MRVPVSSYSA-N 1 2 267.351 -1.642 20 0 CAADLO COCCCNC(=O)C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000339498636 373291171 /nfs/dbraw/zinc/29/11/71/373291171.db2.gz QLWGLSWRSVOJAU-NSHDSACASA-N 1 2 287.360 -1.024 20 0 CAADLO COCCCNC(=O)C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000339498635 373292155 /nfs/dbraw/zinc/29/21/55/373292155.db2.gz QLWGLSWRSVOJAU-LLVKDONJSA-N 1 2 287.360 -1.024 20 0 CAADLO COCCCNC(=O)C(=O)N1CC[NH+](CCOC)CC1 ZINC000339484563 373292280 /nfs/dbraw/zinc/29/22/80/373292280.db2.gz MFOLCYSUNVQFCM-UHFFFAOYSA-N 1 2 287.360 -1.070 20 0 CAADLO CCN(C)C(=O)CNC(=O)C(=O)NCCCn1cc[nH+]c1 ZINC000339528591 373294433 /nfs/dbraw/zinc/29/44/33/373294433.db2.gz YLRHIJYUOOYNBG-UHFFFAOYSA-N 1 2 295.343 -1.016 20 0 CAADLO C[C@@H]1CN(C(=O)C(=O)NCCn2cc[nH+]c2)C[C@@H](CO)O1 ZINC000339713010 373295670 /nfs/dbraw/zinc/29/56/70/373295670.db2.gz VCNVFBXJWMYUQE-MNOVXSKESA-N 1 2 296.327 -1.393 20 0 CAADLO C[C@H]1CN(C(=O)C(=O)NCCn2cc[nH+]c2)C[C@@H](CO)O1 ZINC000339713011 373295876 /nfs/dbraw/zinc/29/58/76/373295876.db2.gz VCNVFBXJWMYUQE-QWRGUYRKSA-N 1 2 296.327 -1.393 20 0 CAADLO CNC(=O)C(C)(C)CNC(=O)C(=O)NCCn1cc[nH+]c1 ZINC000339712271 373296323 /nfs/dbraw/zinc/29/63/23/373296323.db2.gz MKBBMYOPGJZTBU-UHFFFAOYSA-N 1 2 295.343 -1.112 20 0 CAADLO CC(C)NC(=O)C[N@H+](C)CC(=O)N1CC[C@H](C(N)=O)C1 ZINC000339669906 373296587 /nfs/dbraw/zinc/29/65/87/373296587.db2.gz GPHNDZFTRXUQMP-JTQLQIEISA-N 1 2 284.360 -1.223 20 0 CAADLO CC(C)NC(=O)C[N@@H+](C)CC(=O)N1CC[C@H](C(N)=O)C1 ZINC000339669906 373296597 /nfs/dbraw/zinc/29/65/97/373296597.db2.gz GPHNDZFTRXUQMP-JTQLQIEISA-N 1 2 284.360 -1.223 20 0 CAADLO C[C@@H](O)CN(C(=O)C(=O)NCCn1cc[nH+]c1)[C@@H](C)CO ZINC000339711958 373296711 /nfs/dbraw/zinc/29/67/11/373296711.db2.gz NVVMVXNPRDYBSG-WDEREUQCSA-N 1 2 298.343 -1.411 20 0 CAADLO C[C@@H](O)CN(C(=O)C(=O)NCCn1cc[nH+]c1)[C@H](C)CO ZINC000339711949 373296779 /nfs/dbraw/zinc/29/67/79/373296779.db2.gz NVVMVXNPRDYBSG-GHMZBOCLSA-N 1 2 298.343 -1.411 20 0 CAADLO C[C@@H]1CN(C(=O)C(=O)NCCn2cc[nH+]c2)C[C@H](CO)O1 ZINC000339713009 373296888 /nfs/dbraw/zinc/29/68/88/373296888.db2.gz VCNVFBXJWMYUQE-GHMZBOCLSA-N 1 2 296.327 -1.393 20 0 CAADLO COc1c(N)[nH+]cnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC000563428416 373298601 /nfs/dbraw/zinc/29/86/01/373298601.db2.gz ZEPWKLBEFKNYHP-ZETCQYMHSA-N 1 2 292.299 -1.786 20 0 CAADLO COc1c(N)nc[nH+]c1N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC000563428416 373298609 /nfs/dbraw/zinc/29/86/09/373298609.db2.gz ZEPWKLBEFKNYHP-ZETCQYMHSA-N 1 2 292.299 -1.786 20 0 CAADLO NS(=O)(=O)[C@@H]1CC[N@H+](CC(=O)NC(=O)NC2CC2)C1 ZINC000339839922 373301884 /nfs/dbraw/zinc/30/18/84/373301884.db2.gz HEJJDRCZVAAGDT-MRVPVSSYSA-N 1 2 290.345 -1.663 20 0 CAADLO NS(=O)(=O)[C@@H]1CC[N@@H+](CC(=O)NC(=O)NC2CC2)C1 ZINC000339839922 373301891 /nfs/dbraw/zinc/30/18/91/373301891.db2.gz HEJJDRCZVAAGDT-MRVPVSSYSA-N 1 2 290.345 -1.663 20 0 CAADLO COC[C@@H](C)NC(=O)NC(=O)C[N@H+](C)CC(N)=O ZINC000051826251 373301963 /nfs/dbraw/zinc/30/19/63/373301963.db2.gz DVXLDTAKJJWSDA-SSDOTTSWSA-N 1 2 260.294 -1.736 20 0 CAADLO COC[C@@H](C)NC(=O)NC(=O)C[N@@H+](C)CC(N)=O ZINC000051826251 373301969 /nfs/dbraw/zinc/30/19/69/373301969.db2.gz DVXLDTAKJJWSDA-SSDOTTSWSA-N 1 2 260.294 -1.736 20 0 CAADLO CCOC(=O)CCCNC(=O)C[N@H+](C)CC(N)=O ZINC000051826502 373302691 /nfs/dbraw/zinc/30/26/91/373302691.db2.gz WYWFUAYLOITJDR-UHFFFAOYSA-N 1 2 259.306 -1.137 20 0 CAADLO CCOC(=O)CCCNC(=O)C[N@@H+](C)CC(N)=O ZINC000051826502 373302695 /nfs/dbraw/zinc/30/26/95/373302695.db2.gz WYWFUAYLOITJDR-UHFFFAOYSA-N 1 2 259.306 -1.137 20 0 CAADLO CCS(=O)(=O)N1CC[NH+](CCC(=O)NC(N)=O)CC1 ZINC000052113366 373305695 /nfs/dbraw/zinc/30/56/95/373305695.db2.gz BCACZTBMQDLGSM-UHFFFAOYSA-N 1 2 292.361 -1.461 20 0 CAADLO COCC[N@H+](CCC(=O)NC(N)=O)CC(=O)OC ZINC000264996104 373316419 /nfs/dbraw/zinc/31/64/19/373316419.db2.gz CXMREXZOGQSGNW-UHFFFAOYSA-N 1 2 261.278 -1.307 20 0 CAADLO COCC[N@@H+](CCC(=O)NC(N)=O)CC(=O)OC ZINC000264996104 373316425 /nfs/dbraw/zinc/31/64/25/373316425.db2.gz CXMREXZOGQSGNW-UHFFFAOYSA-N 1 2 261.278 -1.307 20 0 CAADLO COC[C@@H](C)NC(=O)NC(=O)C[N@H+](C)CC(=O)N(C)C ZINC000025794219 373316571 /nfs/dbraw/zinc/31/65/71/373316571.db2.gz RNAOKSXWNDUCDJ-SECBINFHSA-N 1 2 288.348 -1.133 20 0 CAADLO COC[C@@H](C)NC(=O)NC(=O)C[N@@H+](C)CC(=O)N(C)C ZINC000025794219 373316581 /nfs/dbraw/zinc/31/65/81/373316581.db2.gz RNAOKSXWNDUCDJ-SECBINFHSA-N 1 2 288.348 -1.133 20 0 CAADLO COC[C@H](C)NC(=O)NC(=O)C[N@H+](C)CC(=O)N(C)C ZINC000025794223 373317419 /nfs/dbraw/zinc/31/74/19/373317419.db2.gz RNAOKSXWNDUCDJ-VIFPVBQESA-N 1 2 288.348 -1.133 20 0 CAADLO COC[C@H](C)NC(=O)NC(=O)C[N@@H+](C)CC(=O)N(C)C ZINC000025794223 373317424 /nfs/dbraw/zinc/31/74/24/373317424.db2.gz RNAOKSXWNDUCDJ-VIFPVBQESA-N 1 2 288.348 -1.133 20 0 CAADLO COC(=O)NCC(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000266697718 373320785 /nfs/dbraw/zinc/32/07/85/373320785.db2.gz FFHZZAMCQHNXIM-UHFFFAOYSA-N 1 2 286.332 -1.250 20 0 CAADLO COC(=O)CN(CC[NH+]1CCOCC1)C(=O)CC(N)=O ZINC000266821290 373320961 /nfs/dbraw/zinc/32/09/61/373320961.db2.gz IIZKJJUZLCOJNC-UHFFFAOYSA-N 1 2 287.316 -1.804 20 0 CAADLO COC(=O)CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000268482681 373325778 /nfs/dbraw/zinc/32/57/78/373325778.db2.gz SISMMJSTVMVXJU-HLTSFMKQSA-N 1 2 287.316 -1.761 20 0 CAADLO COC(=O)CNC(=O)[C@@H](C)[N@H+]1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000268482681 373325794 /nfs/dbraw/zinc/32/57/94/373325794.db2.gz SISMMJSTVMVXJU-HLTSFMKQSA-N 1 2 287.316 -1.761 20 0 CAADLO CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)[C@H](C)[NH+](C)C ZINC000617885342 373284099 /nfs/dbraw/zinc/28/40/99/373284099.db2.gz RCSUJNYCKIBJNN-CIUDSAMLSA-N 1 2 264.347 -1.135 20 0 CAADLO CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)[C@H](C)[NH+](C)C ZINC000617885344 373284378 /nfs/dbraw/zinc/28/43/78/373284378.db2.gz RCSUJNYCKIBJNN-XHNCKOQMSA-N 1 2 264.347 -1.135 20 0 CAADLO COc1c[nH+]c(N2CC(O)C2)nc1N1CC(O)C1 ZINC000269151008 373328591 /nfs/dbraw/zinc/32/85/91/373328591.db2.gz PYSQBNIINAZCLD-UHFFFAOYSA-N 1 2 252.274 -1.153 20 0 CAADLO O=C(C[N@@H+]1CCN2C(=O)OC[C@@H]2C1)N1CCNC1=O ZINC000366246572 373286451 /nfs/dbraw/zinc/28/64/51/373286451.db2.gz MEIVEYSUTQHZTC-QMMMGPOBSA-N 1 2 268.273 -1.325 20 0 CAADLO O=C(C[N@H+]1CCN2C(=O)OC[C@@H]2C1)N1CCNC1=O ZINC000366246572 373286458 /nfs/dbraw/zinc/28/64/58/373286458.db2.gz MEIVEYSUTQHZTC-QMMMGPOBSA-N 1 2 268.273 -1.325 20 0 CAADLO C[C@H](C(=O)NCCN1CCOCC1)N1CC[NH2+]CC1=O ZINC000638047951 373374718 /nfs/dbraw/zinc/37/47/18/373374718.db2.gz LAKGPSNYDXZTHA-LLVKDONJSA-N 1 2 284.360 -1.745 20 0 CAADLO C[C@H](C(=O)N[C@@H](C)CN1CCOCC1)N1CC[NH2+]CC1=O ZINC000638068500 373375714 /nfs/dbraw/zinc/37/57/14/373375714.db2.gz CDVDUTOJYCOVFV-NWDGAFQWSA-N 1 2 298.387 -1.356 20 0 CAADLO O=C(C=Cc1c[nH]c[nH+]1)NCCN1CCNC(=O)C1 ZINC000283078593 373379288 /nfs/dbraw/zinc/37/92/88/373379288.db2.gz KVRKKKPYCMBVEL-OWOJBTEDSA-N 1 2 263.301 -1.029 20 0 CAADLO Nc1nccnc1C(=O)NCCC[N@@H+]1CCNC(=O)C1 ZINC000269910893 373331052 /nfs/dbraw/zinc/33/10/52/373331052.db2.gz JQODLWZIENQVNS-UHFFFAOYSA-N 1 2 278.316 -1.390 20 0 CAADLO Nc1nccnc1C(=O)NCCC[N@H+]1CCNC(=O)C1 ZINC000269910893 373331061 /nfs/dbraw/zinc/33/10/61/373331061.db2.gz JQODLWZIENQVNS-UHFFFAOYSA-N 1 2 278.316 -1.390 20 0 CAADLO O=C(Cn1ccccc1=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000269576291 373331452 /nfs/dbraw/zinc/33/14/52/373331452.db2.gz WJAHPSIJTCSCDL-LBPRGKRZSA-N 1 2 276.340 -1.036 20 0 CAADLO O=C(CN1CC(=O)NC1=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000269539981 373331750 /nfs/dbraw/zinc/33/17/50/373331750.db2.gz WMYAKLRJWHLRNI-SECBINFHSA-N 1 2 281.316 -2.346 20 0 CAADLO C[C@H](CN1CCOCC1)NC(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000638068499 373377063 /nfs/dbraw/zinc/37/70/63/373377063.db2.gz CDVDUTOJYCOVFV-NEPJUHHUSA-N 1 2 298.387 -1.356 20 0 CAADLO Cn1c2[nH]c(C[N@@H+]3CCC[C@H]3CO)nc2c(=O)n(C)c1=O ZINC000270640131 373334168 /nfs/dbraw/zinc/33/41/68/373334168.db2.gz IVSIQUHPTHEDCI-QMMMGPOBSA-N 1 2 293.327 -1.083 20 0 CAADLO Cn1c2[nH]c(C[N@H+]3CCC[C@H]3CO)nc2c(=O)n(C)c1=O ZINC000270640131 373334173 /nfs/dbraw/zinc/33/41/73/373334173.db2.gz IVSIQUHPTHEDCI-QMMMGPOBSA-N 1 2 293.327 -1.083 20 0 CAADLO C[C@H](C(=O)NCCCn1cncn1)N1CC[NH2+]CC1=O ZINC000638062444 373377171 /nfs/dbraw/zinc/37/71/71/373377171.db2.gz NRQZHTACLMIKJN-SNVBAGLBSA-N 1 2 280.332 -1.395 20 0 CAADLO COCCN1CC[N@H+](CCCC(=O)NC(N)=O)CC1=O ZINC000271106087 373335107 /nfs/dbraw/zinc/33/51/07/373335107.db2.gz WDTUTNMWHSQGHX-UHFFFAOYSA-N 1 2 286.332 -1.248 20 0 CAADLO COCCN1CC[N@@H+](CCCC(=O)NC(N)=O)CC1=O ZINC000271106087 373335116 /nfs/dbraw/zinc/33/51/16/373335116.db2.gz WDTUTNMWHSQGHX-UHFFFAOYSA-N 1 2 286.332 -1.248 20 0 CAADLO COCC[N@H+](CC(=O)OC)Cc1cn(C)c(=O)n(C)c1=O ZINC000271168679 373335243 /nfs/dbraw/zinc/33/52/43/373335243.db2.gz GTMSXPIOFHZZNI-UHFFFAOYSA-N 1 2 299.327 -1.295 20 0 CAADLO COCC[N@@H+](CC(=O)OC)Cc1cn(C)c(=O)n(C)c1=O ZINC000271168679 373335252 /nfs/dbraw/zinc/33/52/52/373335252.db2.gz GTMSXPIOFHZZNI-UHFFFAOYSA-N 1 2 299.327 -1.295 20 0 CAADLO O=C(NCCC[N@@H+]1CCNC(=O)C1)C1=COCCO1 ZINC000271072418 373336647 /nfs/dbraw/zinc/33/66/47/373336647.db2.gz YPPZSONYXBEVNA-UHFFFAOYSA-N 1 2 269.301 -1.187 20 0 CAADLO O=C(NCCC[N@H+]1CCNC(=O)C1)C1=COCCO1 ZINC000271072418 373336651 /nfs/dbraw/zinc/33/66/51/373336651.db2.gz YPPZSONYXBEVNA-UHFFFAOYSA-N 1 2 269.301 -1.187 20 0 CAADLO COC(=O)CNC(=O)C[N@H+](C)CC(=O)N1CCOCC1 ZINC000271803193 373338232 /nfs/dbraw/zinc/33/82/32/373338232.db2.gz JLDPPQBUQPXGGM-UHFFFAOYSA-N 1 2 287.316 -1.934 20 0 CAADLO COC(=O)CNC(=O)C[N@@H+](C)CC(=O)N1CCOCC1 ZINC000271803193 373338239 /nfs/dbraw/zinc/33/82/39/373338239.db2.gz JLDPPQBUQPXGGM-UHFFFAOYSA-N 1 2 287.316 -1.934 20 0 CAADLO CC[N@H+](CCO)Cc1nc2c([nH]1)n(C)c(=O)n(C)c2=O ZINC000271430741 373339278 /nfs/dbraw/zinc/33/92/78/373339278.db2.gz BDYVXHGHVCZPLO-UHFFFAOYSA-N 1 2 281.316 -1.226 20 0 CAADLO CC[N@@H+](CCO)Cc1nc2c([nH]1)n(C)c(=O)n(C)c2=O ZINC000271430741 373339285 /nfs/dbraw/zinc/33/92/85/373339285.db2.gz BDYVXHGHVCZPLO-UHFFFAOYSA-N 1 2 281.316 -1.226 20 0 CAADLO CNC(=O)NC(=O)CC[N@@H+]1CCSC[C@H]1C(N)=O ZINC000271431225 373339345 /nfs/dbraw/zinc/33/93/45/373339345.db2.gz ABLJIWSKJSQSBN-ZETCQYMHSA-N 1 2 274.346 -1.265 20 0 CAADLO CNC(=O)NC(=O)CC[N@H+]1CCSC[C@H]1C(N)=O ZINC000271431225 373339351 /nfs/dbraw/zinc/33/93/51/373339351.db2.gz ABLJIWSKJSQSBN-ZETCQYMHSA-N 1 2 274.346 -1.265 20 0 CAADLO NC(=O)NC(=O)C[N@@H+]1CC[C@H](NC(=O)NC2CC2)C1 ZINC000274082904 373345131 /nfs/dbraw/zinc/34/51/31/373345131.db2.gz WIGNHPNWEYDTIN-QMMMGPOBSA-N 1 2 269.305 -1.283 20 0 CAADLO NC(=O)NC(=O)C[N@H+]1CC[C@H](NC(=O)NC2CC2)C1 ZINC000274082904 373345144 /nfs/dbraw/zinc/34/51/44/373345144.db2.gz WIGNHPNWEYDTIN-QMMMGPOBSA-N 1 2 269.305 -1.283 20 0 CAADLO CCN1CC[N@H+](CCC(=O)NCC(=O)OC)CC1=O ZINC000273521536 373346320 /nfs/dbraw/zinc/34/63/20/373346320.db2.gz PYGNUFUHOYNZDN-UHFFFAOYSA-N 1 2 271.317 -1.170 20 0 CAADLO CCN1CC[N@@H+](CCC(=O)NCC(=O)OC)CC1=O ZINC000273521536 373346323 /nfs/dbraw/zinc/34/63/23/373346323.db2.gz PYGNUFUHOYNZDN-UHFFFAOYSA-N 1 2 271.317 -1.170 20 0 CAADLO Cn1nccc1S(=O)(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000274189223 373349071 /nfs/dbraw/zinc/34/90/71/373349071.db2.gz RBDJDMMZBZGEBE-SNVBAGLBSA-N 1 2 285.373 -1.302 20 0 CAADLO CC(=O)N1CCCN(C(=O)[C@@H](C)N2CC[NH2+]CC2=O)CC1 ZINC000637799089 373350937 /nfs/dbraw/zinc/35/09/37/373350937.db2.gz KCEUXLJFGJEWGV-LLVKDONJSA-N 1 2 296.371 -1.113 20 0 CAADLO CNC(=O)NC(=O)CC[N@@H+]1CCC[C@H](O)[C@H]1C(=O)OC ZINC000275533634 373351610 /nfs/dbraw/zinc/35/16/10/373351610.db2.gz KRYCCDHJYJQXLN-WPRPVWTQSA-N 1 2 287.316 -1.170 20 0 CAADLO CNC(=O)NC(=O)CC[N@H+]1CCC[C@H](O)[C@H]1C(=O)OC ZINC000275533634 373351620 /nfs/dbraw/zinc/35/16/20/373351620.db2.gz KRYCCDHJYJQXLN-WPRPVWTQSA-N 1 2 287.316 -1.170 20 0 CAADLO C[C@H](C(=O)N(C)CC(=O)N(C)C)N1CC[NH2+]CC1=O ZINC000637884805 373357176 /nfs/dbraw/zinc/35/71/76/373357176.db2.gz GJBGWHHFROPKJL-SECBINFHSA-N 1 2 270.333 -1.647 20 0 CAADLO CC(C)NC(=O)CCNC(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000637904354 373359314 /nfs/dbraw/zinc/35/93/14/373359314.db2.gz SAVKBMVKZYZIHI-JTQLQIEISA-N 1 2 284.360 -1.162 20 0 CAADLO C[C@H](C(=O)N[C@H]1CCCCNC1=O)N1CC[NH2+]CC1=O ZINC000637909317 373359352 /nfs/dbraw/zinc/35/93/52/373359352.db2.gz QCTJVYKQYMHXIE-ZJUUUORDSA-N 1 2 282.344 -1.408 20 0 CAADLO C[C@@H](C(=O)N(C)CC(=O)NC1CC1)N1CC[NH2+]CC1=O ZINC000637893962 373359486 /nfs/dbraw/zinc/35/94/86/373359486.db2.gz YWBQSMRUORISCR-VIFPVBQESA-N 1 2 282.344 -1.456 20 0 CAADLO C[C@@H](C(=O)N[C@@H]1CCCCNC1=O)N1CC[NH2+]CC1=O ZINC000637909316 373359680 /nfs/dbraw/zinc/35/96/80/373359680.db2.gz QCTJVYKQYMHXIE-VHSXEESVSA-N 1 2 282.344 -1.408 20 0 CAADLO C[C@H](C(=O)NCC(=O)N1CCCCC1)N1CC[NH2+]CC1=O ZINC000637917141 373359844 /nfs/dbraw/zinc/35/98/44/373359844.db2.gz KGPNMTSJKQETKI-LLVKDONJSA-N 1 2 296.371 -1.065 20 0 CAADLO CCNC(=O)CNC(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000637890012 373359922 /nfs/dbraw/zinc/35/99/22/373359922.db2.gz RRIPOLKNHAVUOV-QMMMGPOBSA-N 1 2 256.306 -1.941 20 0 CAADLO CCCNC(=O)CNC(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000637890040 373359985 /nfs/dbraw/zinc/35/99/85/373359985.db2.gz QUILOKSSJCHRBF-VIFPVBQESA-N 1 2 270.333 -1.551 20 0 CAADLO C[C@@H](C(=O)NCC(=O)N1CCCCC1)N1CC[NH2+]CC1=O ZINC000637917142 373360116 /nfs/dbraw/zinc/36/01/16/373360116.db2.gz KGPNMTSJKQETKI-NSHDSACASA-N 1 2 296.371 -1.065 20 0 CAADLO C[C@H](C(=O)N(C)CC(=O)N1CCCC1)N1CC[NH2+]CC1=O ZINC000637895319 373360190 /nfs/dbraw/zinc/36/01/90/373360190.db2.gz GKTPRTXRIBROBQ-LLVKDONJSA-N 1 2 296.371 -1.113 20 0 CAADLO C[C@H](C(=O)NCc1ccnn1C)N1CC[NH2+]CC1=O ZINC000637926086 373360247 /nfs/dbraw/zinc/36/02/47/373360247.db2.gz BVQXMSCROFMMCR-SECBINFHSA-N 1 2 265.317 -1.143 20 0 CAADLO COCCOCCCNC(=O)[C@@H](C)N1CC[NH2+]CC1=O ZINC000637892671 373360285 /nfs/dbraw/zinc/36/02/85/373360285.db2.gz LSYXFFCGEDYLSJ-LLVKDONJSA-N 1 2 287.360 -1.024 20 0 CAADLO C[C@@H](C(=O)N[C@H]1CCCCNC1=O)N1CC[NH2+]CC1=O ZINC000637909315 373360405 /nfs/dbraw/zinc/36/04/05/373360405.db2.gz QCTJVYKQYMHXIE-UWVGGRQHSA-N 1 2 282.344 -1.408 20 0 CAADLO C[C@H](C(=O)NCC(=O)NC1CC1)N1CC[NH2+]CC1=O ZINC000637893335 373360949 /nfs/dbraw/zinc/36/09/49/373360949.db2.gz HLLOCZRVSKILRM-MRVPVSSYSA-N 1 2 268.317 -1.799 20 0 CAADLO CC(C)CN(CC(N)=O)C(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000637930593 373361690 /nfs/dbraw/zinc/36/16/90/373361690.db2.gz ZVVBIFVZLVJGMN-JTQLQIEISA-N 1 2 284.360 -1.223 20 0 CAADLO C[C@H](C(=O)N[C@H]1CC(=O)N(C)C1)N1CC[NH2+]CC1=O ZINC000637961951 373361857 /nfs/dbraw/zinc/36/18/57/373361857.db2.gz QLUFZNKAYBQLHI-BDAKNGLRSA-N 1 2 268.317 -1.846 20 0 CAADLO CNC(=O)[C@@H]1CCCCN1C(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000637927312 373361873 /nfs/dbraw/zinc/36/18/73/373361873.db2.gz UVWFFHVXYJYZPK-QWRGUYRKSA-N 1 2 296.371 -1.066 20 0 CAADLO C[C@@H](C(=O)N1C[C@@H](C(N)=O)CC[C@H]1C)N1CC[NH2+]CC1=O ZINC000637927594 373361938 /nfs/dbraw/zinc/36/19/38/373361938.db2.gz PVDXTLBMRBQTKL-VWYCJHECSA-N 1 2 296.371 -1.081 20 0 CAADLO CNC(=O)[C@H]1CCCN1C(=O)[C@@H](C)N1CC[NH2+]CC1=O ZINC000637938434 373362005 /nfs/dbraw/zinc/36/20/05/373362005.db2.gz XWJSENPFDCNCRV-NXEZZACHSA-N 1 2 282.344 -1.456 20 0 CAADLO CCCNC(=O)CCNC(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000637945251 373362166 /nfs/dbraw/zinc/36/21/66/373362166.db2.gz RTPWJHRAORXKLA-JTQLQIEISA-N 1 2 284.360 -1.161 20 0 CAADLO C[C@@H](C(=O)N1CCNC(=O)[C@H]1C)N1CC[NH2+]CC1=O ZINC000637963036 373362629 /nfs/dbraw/zinc/36/26/29/373362629.db2.gz JYDKBTAKFTYJNJ-BDAKNGLRSA-N 1 2 268.317 -1.846 20 0 CAADLO C[C@@H](C(=O)NCc1cc[nH]n1)N1CC[NH2+]CC1=O ZINC000637934489 373362723 /nfs/dbraw/zinc/36/27/23/373362723.db2.gz WOYXWOQRAIWOBN-QMMMGPOBSA-N 1 2 251.290 -1.154 20 0 CAADLO C[C@H](Cn1cncn1)NC(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000637934547 373363186 /nfs/dbraw/zinc/36/31/86/373363186.db2.gz JOQWGITWLCXXPZ-ZJUUUORDSA-N 1 2 280.332 -1.397 20 0 CAADLO CCNC(=O)CN(C)C(=O)[C@@H](C)N1CC[NH2+]CC1=O ZINC000637935506 373363203 /nfs/dbraw/zinc/36/32/03/373363203.db2.gz LQFNKQQSRQPQKB-SECBINFHSA-N 1 2 270.333 -1.599 20 0 CAADLO C[C@H](C(=O)NCC(=O)NC1CCCC1)N1CC[NH2+]CC1=O ZINC000637963575 373363291 /nfs/dbraw/zinc/36/32/91/373363291.db2.gz OFMKMKAWTWCZKT-SNVBAGLBSA-N 1 2 296.371 -1.018 20 0 CAADLO C[C@@H](CN1CCCC1=O)NC(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000637939814 373363307 /nfs/dbraw/zinc/36/33/07/373363307.db2.gz RIIGUUGWMMPLNY-QWRGUYRKSA-N 1 2 296.371 -1.066 20 0 CAADLO CNC(=O)CCCNC(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000637937423 373363474 /nfs/dbraw/zinc/36/34/74/373363474.db2.gz KZQOGLJTSLCRSE-VIFPVBQESA-N 1 2 270.333 -1.551 20 0 CAADLO CNC(=O)CCCNC(=O)[C@@H](C)N1CC[NH2+]CC1=O ZINC000637937421 373363516 /nfs/dbraw/zinc/36/35/16/373363516.db2.gz KZQOGLJTSLCRSE-SECBINFHSA-N 1 2 270.333 -1.551 20 0 CAADLO CCCN(CC(=O)NC)C(=O)[C@@H](C)N1CC[NH2+]CC1=O ZINC000637942816 373363582 /nfs/dbraw/zinc/36/35/82/373363582.db2.gz PRMHPSCNZQLYDN-SNVBAGLBSA-N 1 2 284.360 -1.209 20 0 CAADLO CC(C)N1CC[C@H](NC(=O)[C@@H](C)N2CC[NH2+]CC2=O)C1=O ZINC000637999923 373364352 /nfs/dbraw/zinc/36/43/52/373364352.db2.gz LMQXURWJPPDFSZ-MNOVXSKESA-N 1 2 296.371 -1.068 20 0 CAADLO CNC(=O)[C@H]1CCCN(C(=O)[C@@H](C)N2CC[NH2+]CC2=O)C1 ZINC000637993788 373364385 /nfs/dbraw/zinc/36/43/85/373364385.db2.gz SVMBGYOCCZQRND-MNOVXSKESA-N 1 2 296.371 -1.209 20 0 CAADLO CNC(=O)[C@@H]1CCCN(C(=O)[C@H](C)N2CC[NH2+]CC2=O)C1 ZINC000637993790 373364422 /nfs/dbraw/zinc/36/44/22/373364422.db2.gz SVMBGYOCCZQRND-WDEREUQCSA-N 1 2 296.371 -1.209 20 0 CAADLO C[C@H](C(=O)NCC1(CO)CC1)N1CC[NH2+]CC1=O ZINC000637992919 373365123 /nfs/dbraw/zinc/36/51/23/373365123.db2.gz VQOWPBBTOCXGQH-SECBINFHSA-N 1 2 255.318 -1.305 20 0 CAADLO C[C@H](C(=O)NCCOC[C@@H]1CCOC1)N1CC[NH2+]CC1=O ZINC000637983047 373365298 /nfs/dbraw/zinc/36/52/98/373365298.db2.gz KUEKQYUZUSNGQT-VXGBXAGGSA-N 1 2 299.371 -1.024 20 0 CAADLO C[C@@H](C(=O)NCCOC[C@@H]1CCOC1)N1CC[NH2+]CC1=O ZINC000637983045 373365432 /nfs/dbraw/zinc/36/54/32/373365432.db2.gz KUEKQYUZUSNGQT-NWDGAFQWSA-N 1 2 299.371 -1.024 20 0 CAADLO C[C@H](C(=O)NCCOC[C@H]1CCOC1)N1CC[NH2+]CC1=O ZINC000637983044 373365612 /nfs/dbraw/zinc/36/56/12/373365612.db2.gz KUEKQYUZUSNGQT-NEPJUHHUSA-N 1 2 299.371 -1.024 20 0 CAADLO C[C@@H](C(=O)N[C@@H]1CCN(C)C1=O)N1CC[NH2+]CC1=O ZINC000637993555 373365804 /nfs/dbraw/zinc/36/58/04/373365804.db2.gz ZSAOZHKFGOYHJS-DTWKUNHWSA-N 1 2 268.317 -1.846 20 0 CAADLO C[C@H](C(=O)N1CCN(C2CC2)C(=O)C1)N1CC[NH2+]CC1=O ZINC000638000058 373365914 /nfs/dbraw/zinc/36/59/14/373365914.db2.gz JYNZZLVOJOHLAJ-SNVBAGLBSA-N 1 2 294.355 -1.360 20 0 CAADLO CC(C)[C@@H]1C(=O)NCCN1C(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000637981166 373366007 /nfs/dbraw/zinc/36/60/07/373366007.db2.gz XTBCUNXQTFEPGA-CMPLNLGQSA-N 1 2 296.371 -1.210 20 0 CAADLO C[C@@H](CS(C)(=O)=O)NC(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000638001602 373366147 /nfs/dbraw/zinc/36/61/47/373366147.db2.gz WPHQCHJLPWFAPQ-IUCAKERBSA-N 1 2 291.373 -1.644 20 0 CAADLO C[C@@H](C(=O)N1CCN(C)C(=O)C1)N1CC[NH2+]CC1=O ZINC000638004624 373368190 /nfs/dbraw/zinc/36/81/90/373368190.db2.gz SVDAGBOLPNWUGA-VIFPVBQESA-N 1 2 268.317 -1.893 20 0 CAADLO C[C@H](C(=O)N1CCN(C)C(=O)C1(C)C)N1CC[NH2+]CC1=O ZINC000638015362 373368920 /nfs/dbraw/zinc/36/89/20/373368920.db2.gz NIHKHKLRJFWDMW-SNVBAGLBSA-N 1 2 296.371 -1.114 20 0 CAADLO C[C@H](C(=O)N[C@@H]1CC(=O)N(C2CC2)C1)N1CC[NH2+]CC1=O ZINC000638004403 373368933 /nfs/dbraw/zinc/36/89/33/373368933.db2.gz ZBEBHBOIMJLKDX-NXEZZACHSA-N 1 2 294.355 -1.314 20 0 CAADLO CNC(=O)[C@@H](C)NC(=O)[C@@H](C)N1CC[NH2+]CC1=O ZINC000638004433 373368950 /nfs/dbraw/zinc/36/89/50/373368950.db2.gz AJSLYPSBCBAPCH-HTQZYQBOSA-N 1 2 256.306 -1.943 20 0 CAADLO COCCOC[C@H](C)NC(=O)[C@@H](C)N1CC[NH2+]CC1=O ZINC000638019947 373370351 /nfs/dbraw/zinc/37/03/51/373370351.db2.gz DJMPPQZBJUPXLX-WDEREUQCSA-N 1 2 287.360 -1.026 20 0 CAADLO CCC(=O)N1CC[C@@H](NC(=O)[C@H](C)N2CC[NH2+]CC2=O)C1 ZINC000638033061 373370649 /nfs/dbraw/zinc/37/06/49/373370649.db2.gz YGGXGFOZFRTHOG-WDEREUQCSA-N 1 2 296.371 -1.066 20 0 CAADLO COCCOC[C@H](C)NC(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000638019946 373371221 /nfs/dbraw/zinc/37/12/21/373371221.db2.gz DJMPPQZBJUPXLX-QWRGUYRKSA-N 1 2 287.360 -1.026 20 0 CAADLO COCCOC[C@@H](C)NC(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000638019943 373371274 /nfs/dbraw/zinc/37/12/74/373371274.db2.gz DJMPPQZBJUPXLX-MNOVXSKESA-N 1 2 287.360 -1.026 20 0 CAADLO C[C@H](C(=O)N1CCN2C(=O)NC[C@@H]2C1)N1CC[NH2+]CC1=O ZINC000638044342 373371516 /nfs/dbraw/zinc/37/15/16/373371516.db2.gz UGURLUXWVRNTQE-NXEZZACHSA-N 1 2 295.343 -1.957 20 0 CAADLO CNC(=O)[C@@H](C)CN(C)C(=O)[C@@H](C)N1CC[NH2+]CC1=O ZINC000638039909 373371685 /nfs/dbraw/zinc/37/16/85/373371685.db2.gz FVSPJDMLEIPCSB-VHSXEESVSA-N 1 2 284.360 -1.353 20 0 CAADLO C[C@H](C(=O)N1CCN2C(=O)NC[C@H]2C1)N1CC[NH2+]CC1=O ZINC000638044345 373373268 /nfs/dbraw/zinc/37/32/68/373373268.db2.gz UGURLUXWVRNTQE-ZJUUUORDSA-N 1 2 295.343 -1.957 20 0 CAADLO COC[C@H](C)NC(=O)NC(=O)C[N@@H+](C)[C@H]1CCNC1=O ZINC000340225408 373401795 /nfs/dbraw/zinc/40/17/95/373401795.db2.gz ILZSUWCWLUVLRN-IUCAKERBSA-N 1 2 286.332 -1.333 20 0 CAADLO COCCCS(=O)(=O)NCC[N@H+](C)[C@@H]1CCNC1=O ZINC000340223717 373401840 /nfs/dbraw/zinc/40/18/40/373401840.db2.gz XJUBGEDUQVOTIJ-SNVBAGLBSA-N 1 2 293.389 -1.237 20 0 CAADLO COCCCS(=O)(=O)NCC[N@@H+](C)[C@@H]1CCNC1=O ZINC000340223717 373401845 /nfs/dbraw/zinc/40/18/45/373401845.db2.gz XJUBGEDUQVOTIJ-SNVBAGLBSA-N 1 2 293.389 -1.237 20 0 CAADLO COC[C@@H](C)NC(=O)NC(=O)C[N@H+](C)[C@H]1CCNC1=O ZINC000340225406 373402123 /nfs/dbraw/zinc/40/21/23/373402123.db2.gz ILZSUWCWLUVLRN-BDAKNGLRSA-N 1 2 286.332 -1.333 20 0 CAADLO COC[C@@H](C)NC(=O)NC(=O)C[N@@H+](C)[C@H]1CCNC1=O ZINC000340225406 373402130 /nfs/dbraw/zinc/40/21/30/373402130.db2.gz ILZSUWCWLUVLRN-BDAKNGLRSA-N 1 2 286.332 -1.333 20 0 CAADLO CCOC(=O)CN(C)C(=O)C[N@H+](C)[C@@H]1CCNC1=O ZINC000340226755 373403614 /nfs/dbraw/zinc/40/36/14/373403614.db2.gz UDUPRKABJLEWRZ-SECBINFHSA-N 1 2 271.317 -1.172 20 0 CAADLO CCOC(=O)CN(C)C(=O)C[N@@H+](C)[C@@H]1CCNC1=O ZINC000340226755 373403625 /nfs/dbraw/zinc/40/36/25/373403625.db2.gz UDUPRKABJLEWRZ-SECBINFHSA-N 1 2 271.317 -1.172 20 0 CAADLO C[C@@H](C(=O)NCCCn1ccnn1)N1CC[NH2+]CC1=O ZINC000638283239 373408125 /nfs/dbraw/zinc/40/81/25/373408125.db2.gz SZVSATZKRPGENG-JTQLQIEISA-N 1 2 280.332 -1.395 20 0 CAADLO C[C@@H](C(=O)N1CC[C@@H](C)C[C@H]1C(N)=O)N1CC[NH2+]CC1=O ZINC000638281932 373408654 /nfs/dbraw/zinc/40/86/54/373408654.db2.gz AQSAMGIMTXMLOY-VWYCJHECSA-N 1 2 296.371 -1.081 20 0 CAADLO C[C@H](C[NH+]1CCOCC1)NC(=O)C(=O)N1CC[C@@H](CO)C1 ZINC000340252533 373409016 /nfs/dbraw/zinc/40/90/16/373409016.db2.gz UWYHXWXLHQIRKD-VXGBXAGGSA-N 1 2 299.371 -1.336 20 0 CAADLO C[C@H](C[NH+]1CCOCC1)NC(=O)C(=O)N1CC(CO)C1 ZINC000340256579 373409040 /nfs/dbraw/zinc/40/90/40/373409040.db2.gz HFDIKSQSQQNUCU-SNVBAGLBSA-N 1 2 285.344 -1.726 20 0 CAADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)C(=O)N1CC[C@@H](CO)C1 ZINC000340252530 373409103 /nfs/dbraw/zinc/40/91/03/373409103.db2.gz UWYHXWXLHQIRKD-NWDGAFQWSA-N 1 2 299.371 -1.336 20 0 CAADLO CCn1ncnc1CNC(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000638292335 373409400 /nfs/dbraw/zinc/40/94/00/373409400.db2.gz GZWBBOXNKINPOH-VIFPVBQESA-N 1 2 280.332 -1.266 20 0 CAADLO C[C@H](C(=O)N[C@@H](C)C(=O)N(C)C)N1CC[NH2+]CC1=O ZINC000638289139 373409601 /nfs/dbraw/zinc/40/96/01/373409601.db2.gz DPDQICXASVDLQQ-DTWKUNHWSA-N 1 2 270.333 -1.600 20 0 CAADLO C[C@@H](C(=O)N1CCc2n[nH]nc2C1)N1CC[NH2+]CC1=O ZINC000638284162 373409730 /nfs/dbraw/zinc/40/97/30/373409730.db2.gz FCMHEHLAQLLVCB-QMMMGPOBSA-N 1 2 278.316 -1.490 20 0 CAADLO CCN(CCO)C(=O)C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000340254520 373410001 /nfs/dbraw/zinc/41/00/01/373410001.db2.gz OSBXCOBSIFFJAT-LLVKDONJSA-N 1 2 287.360 -1.336 20 0 CAADLO CCN1CCCN(C(=O)[C@H](C)N2CC[NH2+]CC2=O)CC1=O ZINC000638306323 373411042 /nfs/dbraw/zinc/41/10/42/373411042.db2.gz JZFVYGWXGOAZPA-NSHDSACASA-N 1 2 296.371 -1.113 20 0 CAADLO C[C@@H](C(=O)NCC(=O)NCC1CC1)N1CC[NH2+]CC1=O ZINC000638315969 373411587 /nfs/dbraw/zinc/41/15/87/373411587.db2.gz IMHHNYVMZLWGFG-VIFPVBQESA-N 1 2 282.344 -1.551 20 0 CAADLO CCNC(=O)NC(=O)C[N@@H+]1CC[C@H](S(=O)(=O)NC)C1 ZINC000366651604 373411688 /nfs/dbraw/zinc/41/16/88/373411688.db2.gz IRPZPNKGAHGPBX-QMMMGPOBSA-N 1 2 292.361 -1.544 20 0 CAADLO CCNC(=O)NC(=O)C[N@H+]1CC[C@H](S(=O)(=O)NC)C1 ZINC000366651604 373411701 /nfs/dbraw/zinc/41/17/01/373411701.db2.gz IRPZPNKGAHGPBX-QMMMGPOBSA-N 1 2 292.361 -1.544 20 0 CAADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)C(=O)N1CCNC(=O)C1 ZINC000340266299 373411839 /nfs/dbraw/zinc/41/18/39/373411839.db2.gz WWULLGVHVCFGRQ-JTQLQIEISA-N 1 2 298.343 -2.218 20 0 CAADLO C[C@H](CO)N(C)C(=O)C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000340262910 373411866 /nfs/dbraw/zinc/41/18/66/373411866.db2.gz ZRVCNZRUUFSUOY-WDEREUQCSA-N 1 2 287.360 -1.338 20 0 CAADLO CCN1CCCN(C(=O)[C@@H](C)N2CC[NH2+]CC2=O)CC1=O ZINC000638306322 373411999 /nfs/dbraw/zinc/41/19/99/373411999.db2.gz JZFVYGWXGOAZPA-LLVKDONJSA-N 1 2 296.371 -1.113 20 0 CAADLO CCNC(=O)NC(=O)C[N@@H+]1CC[C@@H](S(=O)(=O)NC)C1 ZINC000366651603 373412054 /nfs/dbraw/zinc/41/20/54/373412054.db2.gz IRPZPNKGAHGPBX-MRVPVSSYSA-N 1 2 292.361 -1.544 20 0 CAADLO CCNC(=O)NC(=O)C[N@H+]1CC[C@@H](S(=O)(=O)NC)C1 ZINC000366651603 373412065 /nfs/dbraw/zinc/41/20/65/373412065.db2.gz IRPZPNKGAHGPBX-MRVPVSSYSA-N 1 2 292.361 -1.544 20 0 CAADLO CNC(=O)[C@@H]1CN(C(=O)[C@H](C)N2CC[NH2+]CC2=O)CCO1 ZINC000638304068 373412217 /nfs/dbraw/zinc/41/22/17/373412217.db2.gz KRXOECSRGPLGCE-UWVGGRQHSA-N 1 2 298.343 -2.220 20 0 CAADLO C[C@@H](C(=O)N(C)CCNC(=O)N(C)C)N1CC[NH2+]CC1=O ZINC000638310126 373412326 /nfs/dbraw/zinc/41/23/26/373412326.db2.gz WPYKZFWUGLOXNH-JTQLQIEISA-N 1 2 299.375 -1.464 20 0 CAADLO CNC(=O)C(C)(C)CNC(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000638303593 373412533 /nfs/dbraw/zinc/41/25/33/373412533.db2.gz ZSSKSRSQSAWCNY-VIFPVBQESA-N 1 2 284.360 -1.305 20 0 CAADLO C[C@H](C[NH+]1CCOCC1)NC(=O)C(=O)N(C)[C@H](C)CO ZINC000340262907 373412615 /nfs/dbraw/zinc/41/26/15/373412615.db2.gz ZRVCNZRUUFSUOY-GHMZBOCLSA-N 1 2 287.360 -1.338 20 0 CAADLO Cn1ncc2c1nc(NC[C@H]1CC(C(N)=O)=NO1)[nH+]c2N ZINC000288029917 373412678 /nfs/dbraw/zinc/41/26/78/373412678.db2.gz AMEZKWLDSCCKCZ-RXMQYKEDSA-N 1 2 290.287 -1.012 20 0 CAADLO COC(=O)[C@H]1C[C@H](O)CN1CC[NH+]1CCOCC1 ZINC000163780416 373414004 /nfs/dbraw/zinc/41/40/04/373414004.db2.gz YPNPXWUCZMPIMD-WDEREUQCSA-N 1 2 258.318 -1.073 20 0 CAADLO COC(=O)[C@H]1C[C@H](O)C[N@@H+]1CCN1CCOCC1 ZINC000163780416 373414015 /nfs/dbraw/zinc/41/40/15/373414015.db2.gz YPNPXWUCZMPIMD-WDEREUQCSA-N 1 2 258.318 -1.073 20 0 CAADLO COC(=O)[C@H]1C[C@H](O)C[N@H+]1CCN1CCOCC1 ZINC000163780416 373414023 /nfs/dbraw/zinc/41/40/23/373414023.db2.gz YPNPXWUCZMPIMD-WDEREUQCSA-N 1 2 258.318 -1.073 20 0 CAADLO CCN(C)C(=O)[C@@H](C)NC(=O)[C@@H](C)N1CC[NH2+]CC1=O ZINC000638321747 373415151 /nfs/dbraw/zinc/41/51/51/373415151.db2.gz LSRGEESVOVPIPT-NXEZZACHSA-N 1 2 284.360 -1.210 20 0 CAADLO NS(=O)(=O)N1CC[NH+]([C@@H]2COC[C@H]2O)CC1 ZINC000340293644 373418386 /nfs/dbraw/zinc/41/83/86/373418386.db2.gz ZQHHZZQKACILOM-HTQZYQBOSA-N 1 2 251.308 -2.433 20 0 CAADLO C[C@@H](C(=O)N(C)C[C@@H]1COCCO1)N1CC[NH2+]CC1=O ZINC000638413571 373419916 /nfs/dbraw/zinc/41/99/16/373419916.db2.gz AJOJYPYGIVCQGB-WDEREUQCSA-N 1 2 285.344 -1.320 20 0 CAADLO CCN1C[C@H](CNC(=O)[C@@H](C)N2CC[NH2+]CC2=O)CC1=O ZINC000638391597 373420285 /nfs/dbraw/zinc/42/02/85/373420285.db2.gz UINWTYAKBKUHLH-MNOVXSKESA-N 1 2 296.371 -1.209 20 0 CAADLO CC(=O)N[C@@H]1CCN(C(=O)[C@H](C)N2CC[NH2+]CC2=O)C1 ZINC000638406139 373420318 /nfs/dbraw/zinc/42/03/18/373420318.db2.gz FXQLMQSMYPUUGQ-GXSJLCMTSA-N 1 2 282.344 -1.456 20 0 CAADLO CCN1C[C@H](CNC(=O)[C@H](C)N2CC[NH2+]CC2=O)CC1=O ZINC000638391598 373420491 /nfs/dbraw/zinc/42/04/91/373420491.db2.gz UINWTYAKBKUHLH-QWRGUYRKSA-N 1 2 296.371 -1.209 20 0 CAADLO CO[C@H](CNC(=O)[C@@H](C)N1CC[NH2+]CC1=O)[C@H]1CCOC1 ZINC000638411824 373420735 /nfs/dbraw/zinc/42/07/35/373420735.db2.gz RGGJMXDZMQORFE-GRYCIOLGSA-N 1 2 299.371 -1.026 20 0 CAADLO C[C@@H](C(=O)N[C@H]1CCNC1=O)N1CC[NH2+]CC1=O ZINC000638404038 373421062 /nfs/dbraw/zinc/42/10/62/373421062.db2.gz XOPDGUKPPQWMIJ-YUMQZZPRSA-N 1 2 254.290 -2.189 20 0 CAADLO C[C@H](C(=O)N(C)Cc1cn(C)nn1)N1CC[NH2+]CC1=O ZINC000638418367 373422452 /nfs/dbraw/zinc/42/24/52/373422452.db2.gz JEMPTFKQMQNKRS-SECBINFHSA-N 1 2 280.332 -1.406 20 0 CAADLO C[C@@H](C(=O)NCCOCCF)N1CC[NH2+]CC1=O ZINC000638437052 373422713 /nfs/dbraw/zinc/42/27/13/373422713.db2.gz PRRSFYGZUREWTK-VIFPVBQESA-N 1 2 261.297 -1.091 20 0 CAADLO C[C@@H](C(=O)NC[C@@H]1CCC(=O)N1)N1CC[NH2+]CC1=O ZINC000638421928 373423314 /nfs/dbraw/zinc/42/33/14/373423314.db2.gz AJBDKZRDICNAEX-IUCAKERBSA-N 1 2 268.317 -1.799 20 0 CAADLO C[C@H](CNC(=O)[C@H](C)N1CC[NH2+]CC1=O)S(C)(=O)=O ZINC000638433549 373423368 /nfs/dbraw/zinc/42/33/68/373423368.db2.gz WUWFLKBODGJPER-BDAKNGLRSA-N 1 2 291.373 -1.644 20 0 CAADLO C[C@H](C(=O)N1CC[C@](C)(C(N)=O)C1)N1CC[NH2+]CC1=O ZINC000638426227 373423406 /nfs/dbraw/zinc/42/34/06/373423406.db2.gz IZFBTSMGYGTMQI-RNCFNFMXSA-N 1 2 282.344 -1.469 20 0 CAADLO C[C@@H](C(=O)N(C)Cc1cn(C)nn1)N1CC[NH2+]CC1=O ZINC000638418371 373423495 /nfs/dbraw/zinc/42/34/95/373423495.db2.gz JEMPTFKQMQNKRS-VIFPVBQESA-N 1 2 280.332 -1.406 20 0 CAADLO CC[C@@H](C)[C@H](NC(=O)C[N@H+]1C[C@@H](O)[C@@H](O)C1)C(=O)OC ZINC000093092051 373427921 /nfs/dbraw/zinc/42/79/21/373427921.db2.gz LNJLIBZADCBDBU-SVDPJWKOSA-N 1 2 288.344 -1.272 20 0 CAADLO CC[C@@H](C)[C@H](NC(=O)C[N@@H+]1C[C@@H](O)[C@@H](O)C1)C(=O)OC ZINC000093092051 373427932 /nfs/dbraw/zinc/42/79/32/373427932.db2.gz LNJLIBZADCBDBU-SVDPJWKOSA-N 1 2 288.344 -1.272 20 0 CAADLO C[C@@H](C(=O)NCCN1CCO[C@H](C)C1)N1CC[NH2+]CC1=O ZINC000638091251 373381995 /nfs/dbraw/zinc/38/19/95/373381995.db2.gz SBVZHQUWMWNYNY-NEPJUHHUSA-N 1 2 298.387 -1.356 20 0 CAADLO COC[C@@H]1CN(C(=O)C(=O)NCCn2cc[nH+]c2)CCO1 ZINC000283247433 373382201 /nfs/dbraw/zinc/38/22/01/373382201.db2.gz DGTJNPRKCSMSCA-NSHDSACASA-N 1 2 296.327 -1.127 20 0 CAADLO C[C@H](C(=O)NCCN1CCO[C@@H](C)C1)N1CC[NH2+]CC1=O ZINC000638091252 373382436 /nfs/dbraw/zinc/38/24/36/373382436.db2.gz SBVZHQUWMWNYNY-NWDGAFQWSA-N 1 2 298.387 -1.356 20 0 CAADLO C[C@@H]1C(=O)NCCN1C(=O)C(=O)NCCn1cc[nH+]c1 ZINC000283986530 373384224 /nfs/dbraw/zinc/38/42/24/373384224.db2.gz OJWKIFRUYCKQOJ-SECBINFHSA-N 1 2 279.300 -1.654 20 0 CAADLO C[C@H]1CN(C(=O)C(=O)NCCn2cc[nH+]c2)CC(=O)N1C ZINC000284138662 373384981 /nfs/dbraw/zinc/38/49/81/373384981.db2.gz XGYHTHZZENNCDF-JTQLQIEISA-N 1 2 293.327 -1.312 20 0 CAADLO C[C@H]1C(=O)NCCN1C(=O)C(=O)NCCn1cc[nH+]c1 ZINC000283986534 373385154 /nfs/dbraw/zinc/38/51/54/373385154.db2.gz OJWKIFRUYCKQOJ-VIFPVBQESA-N 1 2 279.300 -1.654 20 0 CAADLO C[C@H](C(=O)NCc1ncc[nH]1)N1CC[NH2+]CC1=O ZINC000638114406 373385404 /nfs/dbraw/zinc/38/54/04/373385404.db2.gz IXZFFRBQCMWQEC-MRVPVSSYSA-N 1 2 251.290 -1.154 20 0 CAADLO Cc1nncn1CCNC(=O)[C@@H](C)N1CC[NH2+]CC1=O ZINC000638122644 373388427 /nfs/dbraw/zinc/38/84/27/373388427.db2.gz NSRQRRLKGXJGIB-SECBINFHSA-N 1 2 280.332 -1.477 20 0 CAADLO Cc1nc2n(n1)CCN(C(=O)[C@@H](C)N1CC[NH2+]CC1=O)C2 ZINC000638118900 373388499 /nfs/dbraw/zinc/38/84/99/373388499.db2.gz ZNEJGMALGJIHFH-SECBINFHSA-N 1 2 292.343 -1.251 20 0 CAADLO Cn1ncc(C(=O)NC[C@@H]2C[NH+]3CCN2CC3)n1 ZINC000284547514 373389020 /nfs/dbraw/zinc/38/90/20/373389020.db2.gz BFHXUMJKMLOWHP-SECBINFHSA-N 1 2 250.306 -1.455 20 0 CAADLO CNC(=O)NC(=O)C[N@@H+]1CCC[C@@H](c2n[nH]c(=O)o2)C1 ZINC000284286993 373389396 /nfs/dbraw/zinc/38/93/96/373389396.db2.gz NSHCYOZXVRTDGR-SSDOTTSWSA-N 1 2 283.288 -1.002 20 0 CAADLO CNC(=O)NC(=O)C[N@H+]1CCC[C@@H](c2n[nH]c(=O)o2)C1 ZINC000284286993 373389403 /nfs/dbraw/zinc/38/94/03/373389403.db2.gz NSHCYOZXVRTDGR-SSDOTTSWSA-N 1 2 283.288 -1.002 20 0 CAADLO C[C@H](C(=O)N1CC[NH+](C)CC1)N1CCNCC1=O ZINC000638149216 373391130 /nfs/dbraw/zinc/39/11/30/373391130.db2.gz GQHRZSGBOPCVMJ-SNVBAGLBSA-N 1 2 254.334 -1.419 20 0 CAADLO COc1c[nH+]c(NC[C@H](O)CO)nc1NC[C@@H](O)CO ZINC000286190353 373397444 /nfs/dbraw/zinc/39/74/44/373397444.db2.gz LPJGRTYFVSGGQA-SFYZADRCSA-N 1 2 288.304 -1.985 20 0 CAADLO COC(=O)CNC(=O)[C@H](C)[N@H+](C)[C@H]1CCNC1=O ZINC000340222506 373397864 /nfs/dbraw/zinc/39/78/64/373397864.db2.gz XYGZTIGVVGCSPV-YUMQZZPRSA-N 1 2 257.290 -1.516 20 0 CAADLO COC(=O)CNC(=O)[C@H](C)[N@@H+](C)[C@H]1CCNC1=O ZINC000340222506 373397868 /nfs/dbraw/zinc/39/78/68/373397868.db2.gz XYGZTIGVVGCSPV-YUMQZZPRSA-N 1 2 257.290 -1.516 20 0 CAADLO CS(=O)(=O)NCC[N@H+](CC(=O)NC(N)=O)C1CC1 ZINC000340217870 373398069 /nfs/dbraw/zinc/39/80/69/373398069.db2.gz SMNRGCOSGZITPE-UHFFFAOYSA-N 1 2 278.334 -1.805 20 0 CAADLO CS(=O)(=O)NCC[N@@H+](CC(=O)NC(N)=O)C1CC1 ZINC000340217870 373398076 /nfs/dbraw/zinc/39/80/76/373398076.db2.gz SMNRGCOSGZITPE-UHFFFAOYSA-N 1 2 278.334 -1.805 20 0 CAADLO C[N@H+](CC(=O)NCC(=O)NC(C)(C)C)[C@@H]1CCNC1=O ZINC000340224523 373400195 /nfs/dbraw/zinc/40/01/95/373400195.db2.gz BFZDTTQWJDCPEJ-SECBINFHSA-N 1 2 284.360 -1.162 20 0 CAADLO C[N@@H+](CC(=O)NCC(=O)NC(C)(C)C)[C@@H]1CCNC1=O ZINC000340224523 373400205 /nfs/dbraw/zinc/40/02/05/373400205.db2.gz BFZDTTQWJDCPEJ-SECBINFHSA-N 1 2 284.360 -1.162 20 0 CAADLO COC[C@H](C)NC(=O)NC(=O)C[N@H+](C)[C@H]1CCNC1=O ZINC000340225408 373401787 /nfs/dbraw/zinc/40/17/87/373401787.db2.gz ILZSUWCWLUVLRN-IUCAKERBSA-N 1 2 286.332 -1.333 20 0 CAADLO NS(=O)(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000340539350 373441640 /nfs/dbraw/zinc/44/16/40/373441640.db2.gz ZXYCNFRGKZIKTQ-UHFFFAOYSA-N 1 2 286.361 -1.608 20 0 CAADLO CN1CCOC[C@@H]1CNC(=O)CN1CC[NH2+]CC1=O ZINC000638611665 373446222 /nfs/dbraw/zinc/44/62/22/373446222.db2.gz PFUNRIMIRNUKSC-JTQLQIEISA-N 1 2 270.333 -2.135 20 0 CAADLO CN1CC(=O)N(CC(=O)NCC[NH+]2CCOCC2)C1=O ZINC000298135320 373452712 /nfs/dbraw/zinc/45/27/12/373452712.db2.gz BMHRQJDVTXOMTM-UHFFFAOYSA-N 1 2 284.316 -1.671 20 0 CAADLO Cn1c2[nH]c(C[N@@H+]3CCC[C@H](O)C3)nc2c(=O)n(C)c1=O ZINC000298304337 373454014 /nfs/dbraw/zinc/45/40/14/373454014.db2.gz WZAYTRQKCJBQHH-QMMMGPOBSA-N 1 2 293.327 -1.083 20 0 CAADLO Cn1c2[nH]c(C[N@H+]3CCC[C@H](O)C3)nc2c(=O)n(C)c1=O ZINC000298304337 373454022 /nfs/dbraw/zinc/45/40/22/373454022.db2.gz WZAYTRQKCJBQHH-QMMMGPOBSA-N 1 2 293.327 -1.083 20 0 CAADLO Cn1c2[nH]c(C[N@@H+]3CCC[C@@H](O)C3)nc2c(=O)n(C)c1=O ZINC000298304327 373454565 /nfs/dbraw/zinc/45/45/65/373454565.db2.gz WZAYTRQKCJBQHH-MRVPVSSYSA-N 1 2 293.327 -1.083 20 0 CAADLO Cn1c2[nH]c(C[N@H+]3CCC[C@@H](O)C3)nc2c(=O)n(C)c1=O ZINC000298304327 373454570 /nfs/dbraw/zinc/45/45/70/373454570.db2.gz WZAYTRQKCJBQHH-MRVPVSSYSA-N 1 2 293.327 -1.083 20 0 CAADLO CNC(=O)C(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000340615648 373455471 /nfs/dbraw/zinc/45/54/71/373455471.db2.gz RANGWYGHNKZTRC-UHFFFAOYSA-N 1 2 251.290 -1.200 20 0 CAADLO CCCC[N@H+](CC(N)=O)CC(=O)NCC(=O)OC ZINC000298717024 373455901 /nfs/dbraw/zinc/45/59/01/373455901.db2.gz JNGPKMMHRPZJKE-UHFFFAOYSA-N 1 2 259.306 -1.137 20 0 CAADLO CCCC[N@@H+](CC(N)=O)CC(=O)NCC(=O)OC ZINC000298717024 373455908 /nfs/dbraw/zinc/45/59/08/373455908.db2.gz JNGPKMMHRPZJKE-UHFFFAOYSA-N 1 2 259.306 -1.137 20 0 CAADLO COC(=O)C[C@H]1C(=O)NCC[N@H+]1C[C@@H](O)Cn1cccn1 ZINC000298725443 373456035 /nfs/dbraw/zinc/45/60/35/373456035.db2.gz MKJVTQOYZBYFFV-MNOVXSKESA-N 1 2 296.327 -1.393 20 0 CAADLO COC(=O)C[C@H]1C(=O)NCC[N@@H+]1C[C@@H](O)Cn1cccn1 ZINC000298725443 373456046 /nfs/dbraw/zinc/45/60/46/373456046.db2.gz MKJVTQOYZBYFFV-MNOVXSKESA-N 1 2 296.327 -1.393 20 0 CAADLO CNC(=O)[C@H]1CCC[N@@H+]1CC(=O)NCCC(=O)OC ZINC000299099185 373458009 /nfs/dbraw/zinc/45/80/09/373458009.db2.gz RDCVUJLOAWXOGK-SECBINFHSA-N 1 2 271.317 -1.124 20 0 CAADLO CNC(=O)[C@H]1CCC[N@H+]1CC(=O)NCCC(=O)OC ZINC000299099185 373458019 /nfs/dbraw/zinc/45/80/19/373458019.db2.gz RDCVUJLOAWXOGK-SECBINFHSA-N 1 2 271.317 -1.124 20 0 CAADLO C[C@H](C(=O)N(C)[C@H]1C[C@@H](C(N)=O)C1)N1CC[NH2+]CC1=O ZINC000638698024 373458301 /nfs/dbraw/zinc/45/83/01/373458301.db2.gz KZLLUHZHRWKJPM-BBBLOLIVSA-N 1 2 282.344 -1.471 20 0 CAADLO CN(C(=O)CN1CC[NH2+]CC1=O)[C@H]1C[C@@H](C(N)=O)C1 ZINC000638697997 373458598 /nfs/dbraw/zinc/45/85/98/373458598.db2.gz KUQPUFJATVFNSV-DTORHVGOSA-N 1 2 268.317 -1.860 20 0 CAADLO C[N@@H+]1CCC[C@@H](NC(=O)CN2CCS(=O)(=O)CC2)C1 ZINC000617414536 373460158 /nfs/dbraw/zinc/46/01/58/373460158.db2.gz KVWJDHRALIWELD-LLVKDONJSA-N 1 2 289.401 -1.073 20 0 CAADLO C[N@H+]1CCC[C@@H](NC(=O)CN2CCS(=O)(=O)CC2)C1 ZINC000617414536 373460166 /nfs/dbraw/zinc/46/01/66/373460166.db2.gz KVWJDHRALIWELD-LLVKDONJSA-N 1 2 289.401 -1.073 20 0 CAADLO CNC(=O)NC(=O)C[N@@H+]1C[C@H](CO)OC(C)(C)C1 ZINC000163873830 373460705 /nfs/dbraw/zinc/46/07/05/373460705.db2.gz IOCRXPKRDOPGJM-MRVPVSSYSA-N 1 2 259.306 -1.086 20 0 CAADLO CNC(=O)NC(=O)C[N@H+]1C[C@H](CO)OC(C)(C)C1 ZINC000163873830 373460708 /nfs/dbraw/zinc/46/07/08/373460708.db2.gz IOCRXPKRDOPGJM-MRVPVSSYSA-N 1 2 259.306 -1.086 20 0 CAADLO C[C@H](NC(=O)NC(CO)CO)[C@H](C)[NH+]1CCOCC1 ZINC000341100778 373464135 /nfs/dbraw/zinc/46/41/35/373464135.db2.gz HBEUNJLYFOLKOO-UWVGGRQHSA-N 1 2 275.349 -1.252 20 0 CAADLO C[C@H](C[NH+]1CCOCC1)NC(=O)NC(CO)CO ZINC000340970973 373464263 /nfs/dbraw/zinc/46/42/63/373464263.db2.gz VYQCBYZROMRGQL-SECBINFHSA-N 1 2 261.322 -1.641 20 0 CAADLO C[C@H]1COCC[N@@H+]1CCNC(=O)NC(CO)CO ZINC000341112433 373465359 /nfs/dbraw/zinc/46/53/59/373465359.db2.gz BKVPDJBOGKLZKK-VIFPVBQESA-N 1 2 261.322 -1.641 20 0 CAADLO C[C@H]1COCC[N@H+]1CCNC(=O)NC(CO)CO ZINC000341112433 373465365 /nfs/dbraw/zinc/46/53/65/373465365.db2.gz BKVPDJBOGKLZKK-VIFPVBQESA-N 1 2 261.322 -1.641 20 0 CAADLO COC(=O)[C@H]1C[C@H](OC)C[N@H+]1CCCS(N)(=O)=O ZINC000341496811 373470197 /nfs/dbraw/zinc/47/01/97/373470197.db2.gz ORQBCMZBGBQCOF-DTWKUNHWSA-N 1 2 280.346 -1.073 20 0 CAADLO COC(=O)[C@H]1C[C@H](OC)C[N@@H+]1CCCS(N)(=O)=O ZINC000341496811 373470202 /nfs/dbraw/zinc/47/02/02/373470202.db2.gz ORQBCMZBGBQCOF-DTWKUNHWSA-N 1 2 280.346 -1.073 20 0 CAADLO COC(=O)CNC(=O)CC[N@H+](C)Cc1nnnn1C ZINC000341563320 373470788 /nfs/dbraw/zinc/47/07/88/373470788.db2.gz JZKKVOOOVGMJLN-UHFFFAOYSA-N 1 2 270.293 -1.679 20 0 CAADLO COC(=O)CNC(=O)CC[N@@H+](C)Cc1nnnn1C ZINC000341563320 373470790 /nfs/dbraw/zinc/47/07/90/373470790.db2.gz JZKKVOOOVGMJLN-UHFFFAOYSA-N 1 2 270.293 -1.679 20 0 CAADLO COCCNC(=O)C[NH+]1CCN(Cc2cn(C)nn2)CC1 ZINC000341603689 373471769 /nfs/dbraw/zinc/47/17/69/373471769.db2.gz ODHIARHVSGIAFJ-UHFFFAOYSA-N 1 2 296.375 -1.305 20 0 CAADLO C[C@](O)(C(=O)NCC(=O)NCC[NH+]1CCOCC1)C1CC1 ZINC000341589178 373472718 /nfs/dbraw/zinc/47/27/18/373472718.db2.gz RYIORBQKQZCBTM-CQSZACIVSA-N 1 2 299.371 -1.288 20 0 CAADLO CCCNC(=O)C[NH+]1CCC(NS(N)(=O)=O)CC1 ZINC000341553715 373472752 /nfs/dbraw/zinc/47/27/52/373472752.db2.gz RJRZUXWEZQGVDP-UHFFFAOYSA-N 1 2 278.378 -1.230 20 0 CAADLO CC(C)NC(=O)C[N@H+](C)CC(=O)N(C)[C@@H]1COC[C@@H]1O ZINC000342349729 373473388 /nfs/dbraw/zinc/47/33/88/373473388.db2.gz VKEGXHZMAWASJJ-MNOVXSKESA-N 1 2 287.360 -1.339 20 0 CAADLO CC(C)NC(=O)C[N@@H+](C)CC(=O)N(C)[C@@H]1COC[C@@H]1O ZINC000342349729 373473401 /nfs/dbraw/zinc/47/34/01/373473401.db2.gz VKEGXHZMAWASJJ-MNOVXSKESA-N 1 2 287.360 -1.339 20 0 CAADLO CC(C)Nc1nc(N[C@H](C)[C@H](C)CO)nc(NCCO)[nH+]1 ZINC000342350490 373473785 /nfs/dbraw/zinc/47/37/85/373473785.db2.gz OPDOUFSYGVHBDP-NXEZZACHSA-N 1 2 298.391 -1.209 20 0 CAADLO CC(C)Nc1nc(NCCO)[nH+]c(N[C@H](C)[C@H](C)CO)n1 ZINC000342350490 373473805 /nfs/dbraw/zinc/47/38/05/373473805.db2.gz OPDOUFSYGVHBDP-NXEZZACHSA-N 1 2 298.391 -1.209 20 0 CAADLO CC(C)Nc1nc(NCCO)nc(N[C@H](C)[C@H](C)CO)[nH+]1 ZINC000342350490 373473816 /nfs/dbraw/zinc/47/38/16/373473816.db2.gz OPDOUFSYGVHBDP-NXEZZACHSA-N 1 2 298.391 -1.209 20 0 CAADLO CC(C)NC(=O)C[N@H+](C)CC(=O)N(C)[C@@H]1COC[C@H]1O ZINC000342349728 373473958 /nfs/dbraw/zinc/47/39/58/373473958.db2.gz VKEGXHZMAWASJJ-GHMZBOCLSA-N 1 2 287.360 -1.339 20 0 CAADLO CC(C)NC(=O)C[N@@H+](C)CC(=O)N(C)[C@@H]1COC[C@H]1O ZINC000342349728 373473968 /nfs/dbraw/zinc/47/39/68/373473968.db2.gz VKEGXHZMAWASJJ-GHMZBOCLSA-N 1 2 287.360 -1.339 20 0 CAADLO CCS(=O)(=O)NCCC[N@@H+]1C[C@H](O)C[C@H]1C(=O)OC ZINC000371032734 373474118 /nfs/dbraw/zinc/47/41/18/373474118.db2.gz CJEDGCDUNIUUPL-ZJUUUORDSA-N 1 2 294.373 -1.076 20 0 CAADLO CCS(=O)(=O)NCCC[N@H+]1C[C@H](O)C[C@H]1C(=O)OC ZINC000371032734 373474139 /nfs/dbraw/zinc/47/41/39/373474139.db2.gz CJEDGCDUNIUUPL-ZJUUUORDSA-N 1 2 294.373 -1.076 20 0 CAADLO COC[C@@]1(C)CN(C(=O)CN2CC[NH2+]CC2=O)CCO1 ZINC000638797078 373476291 /nfs/dbraw/zinc/47/62/91/373476291.db2.gz OOGXDSSORGCOJP-CYBMUJFWSA-N 1 2 285.344 -1.318 20 0 CAADLO CCN1CC[C@H](NC(=O)CN2CC[NH2+]CC2=O)C1=O ZINC000638824534 373479656 /nfs/dbraw/zinc/47/96/56/373479656.db2.gz GTDZGUPCTUZVSK-VIFPVBQESA-N 1 2 268.317 -1.845 20 0 CAADLO CCn1c(N)c(C(=O)C[N@H+](C)CCC(N)=O)c(=O)[nH]c1=O ZINC000353206345 373432989 /nfs/dbraw/zinc/43/29/89/373432989.db2.gz NTHKJEAQHKLSNV-UHFFFAOYSA-N 1 2 297.315 -1.459 20 0 CAADLO CCn1c(N)c(C(=O)C[N@@H+](C)CCC(N)=O)c(=O)[nH]c1=O ZINC000353206345 373432998 /nfs/dbraw/zinc/43/29/98/373432998.db2.gz NTHKJEAQHKLSNV-UHFFFAOYSA-N 1 2 297.315 -1.459 20 0 CAADLO CCn1nncc1C(=O)NCCC[N@@H+]1CCNC(=O)C1 ZINC000293726759 373433130 /nfs/dbraw/zinc/43/31/30/373433130.db2.gz ZNGKKCTYGDCNFN-UHFFFAOYSA-N 1 2 280.332 -1.150 20 0 CAADLO CCn1nncc1C(=O)NCCC[N@H+]1CCNC(=O)C1 ZINC000293726759 373433139 /nfs/dbraw/zinc/43/31/39/373433139.db2.gz ZNGKKCTYGDCNFN-UHFFFAOYSA-N 1 2 280.332 -1.150 20 0 CAADLO C[C@H](O)CNc1cc(N2CCN(CC(N)=O)CC2)nc[nH+]1 ZINC000294404322 373434688 /nfs/dbraw/zinc/43/46/88/373434688.db2.gz NMDRUIMCYSOBIO-JTQLQIEISA-N 1 2 294.359 -1.123 20 0 CAADLO COC(=O)[C@@H]1C[C@H](O)C[N@@H+]1C[C@@](C)(O)C(=O)OC ZINC000330815405 373492479 /nfs/dbraw/zinc/49/24/79/373492479.db2.gz CXYQTIQVJWBEKK-DKCNOQQISA-N 1 2 261.274 -1.481 20 0 CAADLO COC(=O)[C@@H]1C[C@H](O)C[N@H+]1C[C@@](C)(O)C(=O)OC ZINC000330815405 373492489 /nfs/dbraw/zinc/49/24/89/373492489.db2.gz CXYQTIQVJWBEKK-DKCNOQQISA-N 1 2 261.274 -1.481 20 0 CAADLO CNC(=O)N[C@H]1CC[N@@H+]([C@@H](C)C(=O)NCC(=O)OC)C1 ZINC000334048205 373494564 /nfs/dbraw/zinc/49/45/64/373494564.db2.gz PVNPJMVVRXNBIH-IUCAKERBSA-N 1 2 286.332 -1.333 20 0 CAADLO CNC(=O)N[C@H]1CC[N@H+]([C@@H](C)C(=O)NCC(=O)OC)C1 ZINC000334048205 373494571 /nfs/dbraw/zinc/49/45/71/373494571.db2.gz PVNPJMVVRXNBIH-IUCAKERBSA-N 1 2 286.332 -1.333 20 0 CAADLO CCS(=O)(=O)CCCNC(=O)CN1CC[NH2+]CC1=O ZINC000639017348 373495098 /nfs/dbraw/zinc/49/50/98/373495098.db2.gz TWULIHIAUPOOOH-UHFFFAOYSA-N 1 2 291.373 -1.641 20 0 CAADLO C[C@H]1C(=O)N(C)CC[N@H+]1Cc1cn(C)c(=O)n(C)c1=O ZINC000190082989 373496891 /nfs/dbraw/zinc/49/68/91/373496891.db2.gz ZHZBYBAYAHGHFG-VIFPVBQESA-N 1 2 280.328 -1.254 20 0 CAADLO C[C@H]1C(=O)N(C)CC[N@@H+]1Cc1cn(C)c(=O)n(C)c1=O ZINC000190082989 373496898 /nfs/dbraw/zinc/49/68/98/373496898.db2.gz ZHZBYBAYAHGHFG-VIFPVBQESA-N 1 2 280.328 -1.254 20 0 CAADLO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(Cc2n[nH]c(=O)[nH]2)CC1 ZINC000091593916 373497312 /nfs/dbraw/zinc/49/73/12/373497312.db2.gz OVFCBZGKIBSTKE-JTQLQIEISA-N 1 2 294.359 -1.164 20 0 CAADLO C[N@H+]1CCC[C@H]1C(=O)N1CCN(Cc2n[nH]c(=O)[nH]2)CC1 ZINC000091593916 373497319 /nfs/dbraw/zinc/49/73/19/373497319.db2.gz OVFCBZGKIBSTKE-JTQLQIEISA-N 1 2 294.359 -1.164 20 0 CAADLO CC[N@H+](CC(N)=O)CC(=O)N1CCC[C@@H](NC(C)=O)C1 ZINC000191716540 373500359 /nfs/dbraw/zinc/50/03/59/373500359.db2.gz SZRVKXKBXMLGTA-LLVKDONJSA-N 1 2 284.360 -1.079 20 0 CAADLO CC[N@@H+](CC(N)=O)CC(=O)N1CCC[C@@H](NC(C)=O)C1 ZINC000191716540 373500369 /nfs/dbraw/zinc/50/03/69/373500369.db2.gz SZRVKXKBXMLGTA-LLVKDONJSA-N 1 2 284.360 -1.079 20 0 CAADLO CNC(=O)[C@H]1CCC[N@@H+]1CC(=O)NCC(=O)N1CCCC1 ZINC000193978679 373501081 /nfs/dbraw/zinc/50/10/81/373501081.db2.gz DBGNMNDLJGDWRK-LLVKDONJSA-N 1 2 296.371 -1.065 20 0 CAADLO CNC(=O)[C@H]1CCC[N@H+]1CC(=O)NCC(=O)N1CCCC1 ZINC000193978679 373501083 /nfs/dbraw/zinc/50/10/83/373501083.db2.gz DBGNMNDLJGDWRK-LLVKDONJSA-N 1 2 296.371 -1.065 20 0 CAADLO CNC(=O)[C@@H]1CCC[N@@H+]1CC(=O)NCC(=O)N1CCCC1 ZINC000193978664 373501409 /nfs/dbraw/zinc/50/14/09/373501409.db2.gz DBGNMNDLJGDWRK-NSHDSACASA-N 1 2 296.371 -1.065 20 0 CAADLO CNC(=O)[C@@H]1CCC[N@H+]1CC(=O)NCC(=O)N1CCCC1 ZINC000193978664 373501415 /nfs/dbraw/zinc/50/14/15/373501415.db2.gz DBGNMNDLJGDWRK-NSHDSACASA-N 1 2 296.371 -1.065 20 0 CAADLO CN(CC[NH+]1CCOCC1)C(=O)CCNC(N)=O ZINC000066118027 373503554 /nfs/dbraw/zinc/50/35/54/373503554.db2.gz MEMDTHWJOUBHOX-UHFFFAOYSA-N 1 2 258.322 -1.165 20 0 CAADLO CNS(=O)(=O)CC(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000343341005 373504076 /nfs/dbraw/zinc/50/40/76/373504076.db2.gz IDWZXCSPVYFAKE-SNVBAGLBSA-N 1 2 291.373 -1.485 20 0 CAADLO CNS(=O)(=O)CC(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000343341005 373504087 /nfs/dbraw/zinc/50/40/87/373504087.db2.gz IDWZXCSPVYFAKE-SNVBAGLBSA-N 1 2 291.373 -1.485 20 0 CAADLO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+]1C[C@H](O)Cn1cccn1 ZINC000185518159 373504245 /nfs/dbraw/zinc/50/42/45/373504245.db2.gz CAIXBOLMXQPNJR-VWYCJHECSA-N 1 2 269.301 -1.148 20 0 CAADLO COC(=O)[C@@H]1C[C@@H](O)C[N@H+]1C[C@H](O)Cn1cccn1 ZINC000185518159 373504258 /nfs/dbraw/zinc/50/42/58/373504258.db2.gz CAIXBOLMXQPNJR-VWYCJHECSA-N 1 2 269.301 -1.148 20 0 CAADLO C[C@H](CNC(=O)[C@H](C)NC(N)=O)[NH+]1CCOCC1 ZINC000185506163 373504847 /nfs/dbraw/zinc/50/48/47/373504847.db2.gz GGCFUQUMZSBBKS-BDAKNGLRSA-N 1 2 258.322 -1.120 20 0 CAADLO CC1(C)COCC[N@@H+]1CCNC(=O)Cn1cn[nH]c1=O ZINC000186598635 373505884 /nfs/dbraw/zinc/50/58/84/373505884.db2.gz MSMUKKYUXBIBJT-UHFFFAOYSA-N 1 2 283.332 -1.202 20 0 CAADLO CC1(C)COCC[N@H+]1CCNC(=O)Cn1cn[nH]c1=O ZINC000186598635 373505895 /nfs/dbraw/zinc/50/58/95/373505895.db2.gz MSMUKKYUXBIBJT-UHFFFAOYSA-N 1 2 283.332 -1.202 20 0 CAADLO C[C@@H](CS(C)(=O)=O)NC(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000343400778 373506908 /nfs/dbraw/zinc/50/69/08/373506908.db2.gz VXOYCDIDCKZNHO-QWRGUYRKSA-N 1 2 289.401 -1.074 20 0 CAADLO C[C@@H](CS(C)(=O)=O)NC(=O)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000343400778 373506915 /nfs/dbraw/zinc/50/69/15/373506915.db2.gz VXOYCDIDCKZNHO-QWRGUYRKSA-N 1 2 289.401 -1.074 20 0 CAADLO NC(=O)[C@@H]1CC[C@H](C(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)O1 ZINC000343358445 373506939 /nfs/dbraw/zinc/50/69/39/373506939.db2.gz GOYUTWKNWHZLAQ-SDDRHHMPSA-N 1 2 297.355 -1.001 20 0 CAADLO NC(=O)[C@@H]1CC[C@H](C(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)O1 ZINC000343358445 373506952 /nfs/dbraw/zinc/50/69/52/373506952.db2.gz GOYUTWKNWHZLAQ-SDDRHHMPSA-N 1 2 297.355 -1.001 20 0 CAADLO C[C@H](CS(C)(=O)=O)NC(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000343400774 373507361 /nfs/dbraw/zinc/50/73/61/373507361.db2.gz VXOYCDIDCKZNHO-GHMZBOCLSA-N 1 2 289.401 -1.074 20 0 CAADLO C[C@H](CS(C)(=O)=O)NC(=O)[C@H]1C[N@H+]2CCN1CCC2 ZINC000343400774 373507366 /nfs/dbraw/zinc/50/73/66/373507366.db2.gz VXOYCDIDCKZNHO-GHMZBOCLSA-N 1 2 289.401 -1.074 20 0 CAADLO CC1(C)C[N@H+](CCNC(=O)C[C@@H]2NC(=O)NC2=O)CCO1 ZINC000343382620 373507404 /nfs/dbraw/zinc/50/74/04/373507404.db2.gz ZYKFSXTZGOPSLN-VIFPVBQESA-N 1 2 298.343 -1.189 20 0 CAADLO CC1(C)C[N@@H+](CCNC(=O)C[C@@H]2NC(=O)NC2=O)CCO1 ZINC000343382620 373507409 /nfs/dbraw/zinc/50/74/09/373507409.db2.gz ZYKFSXTZGOPSLN-VIFPVBQESA-N 1 2 298.343 -1.189 20 0 CAADLO O=C(C[N@H+]1CCSC[C@H]1CO)N1CCNC1=O ZINC000343762137 373512706 /nfs/dbraw/zinc/51/27/06/373512706.db2.gz KHHAVPYWRNQGBF-MRVPVSSYSA-N 1 2 259.331 -1.052 20 0 CAADLO O=C(C[N@@H+]1CCSC[C@H]1CO)N1CCNC1=O ZINC000343762137 373512713 /nfs/dbraw/zinc/51/27/13/373512713.db2.gz KHHAVPYWRNQGBF-MRVPVSSYSA-N 1 2 259.331 -1.052 20 0 CAADLO C[C@H](O)C(=O)N1CC[NH+](CCN2CCNC2=O)CC1 ZINC000343701481 373512750 /nfs/dbraw/zinc/51/27/50/373512750.db2.gz ZUIHKXRWFAFWLN-JTQLQIEISA-N 1 2 270.333 -1.463 20 0 CAADLO O=C(CO)N1CC[NH+](CCN2CCNC2=O)CC1 ZINC000343699071 373513792 /nfs/dbraw/zinc/51/37/92/373513792.db2.gz VVXGUMFYAUVLET-UHFFFAOYSA-N 1 2 256.306 -1.852 20 0 CAADLO CNc1nc(N2CC[C@@H](O)C2)[nH+]c(N2CC[C@@H](O)C2)n1 ZINC000343816792 373517190 /nfs/dbraw/zinc/51/71/90/373517190.db2.gz BFYWOAVRSVCYQS-RKDXNWHRSA-N 1 2 280.332 -1.523 20 0 CAADLO CNc1nc(N2CC(O)C2)[nH+]c(N2CC(O)C2)n1 ZINC000343823960 373518048 /nfs/dbraw/zinc/51/80/48/373518048.db2.gz IRFHJKGUVUDSFB-UHFFFAOYSA-N 1 2 252.278 -2.303 20 0 CAADLO NC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1Cc1nc(N)nc(N)n1 ZINC000346613922 373535969 /nfs/dbraw/zinc/53/59/69/373535969.db2.gz HESQRDDTQLYCJA-ZKWXMUAHSA-N 1 2 277.332 -1.217 20 0 CAADLO NC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@H+]1Cc1nc(N)nc(N)n1 ZINC000346613922 373535978 /nfs/dbraw/zinc/53/59/78/373535978.db2.gz HESQRDDTQLYCJA-ZKWXMUAHSA-N 1 2 277.332 -1.217 20 0 CAADLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)CNC(N)=O ZINC000344113894 373519441 /nfs/dbraw/zinc/51/94/41/373519441.db2.gz KDUHZEKRLYMWEK-VIFPVBQESA-N 1 2 258.322 -1.166 20 0 CAADLO Cc1nc(N(C)CCC(N)=O)nc(N(C)CCC(N)=O)[nH+]1 ZINC000343928031 373520088 /nfs/dbraw/zinc/52/00/88/373520088.db2.gz CEWSUPYBPZDEJV-UHFFFAOYSA-N 1 2 295.347 -1.197 20 0 CAADLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)CNC(N)=O ZINC000344113892 373520639 /nfs/dbraw/zinc/52/06/39/373520639.db2.gz KDUHZEKRLYMWEK-SECBINFHSA-N 1 2 258.322 -1.166 20 0 CAADLO NC(=O)[C@H]1[C@@H]2CCC[C@H]2C[N@@H+]1Cc1nc(N)nc(N)n1 ZINC000346613918 373536112 /nfs/dbraw/zinc/53/61/12/373536112.db2.gz HESQRDDTQLYCJA-LKEWCRSYSA-N 1 2 277.332 -1.217 20 0 CAADLO NC(=O)[C@H]1[C@@H]2CCC[C@H]2C[N@H+]1Cc1nc(N)nc(N)n1 ZINC000346613918 373536115 /nfs/dbraw/zinc/53/61/15/373536115.db2.gz HESQRDDTQLYCJA-LKEWCRSYSA-N 1 2 277.332 -1.217 20 0 CAADLO C[C@@H](C(=O)N1CCN(C(=O)CO)CC1)[NH+]1CCOCC1 ZINC000345083652 373525297 /nfs/dbraw/zinc/52/52/97/373525297.db2.gz LDOOARRNFPXBJC-NSHDSACASA-N 1 2 285.344 -1.630 20 0 CAADLO C[C@H](C(=O)N1CCN(C(=O)CO)CC1)[NH+]1CCOCC1 ZINC000345083650 373526077 /nfs/dbraw/zinc/52/60/77/373526077.db2.gz LDOOARRNFPXBJC-LLVKDONJSA-N 1 2 285.344 -1.630 20 0 CAADLO C[NH+](C)C1CN(C(=O)CN2CCS(=O)(=O)CC2)C1 ZINC000345299417 373527518 /nfs/dbraw/zinc/52/75/18/373527518.db2.gz IRFOAROKBYSFAW-UHFFFAOYSA-N 1 2 275.374 -1.511 20 0 CAADLO CC(=O)NCC(=O)NCC(=O)Nc1cc[nH+]cc1O ZINC000345378802 373530420 /nfs/dbraw/zinc/53/04/20/373530420.db2.gz LHBBPFZEMDRVPS-UHFFFAOYSA-N 1 2 266.257 -1.600 20 0 CAADLO COC[C@H](O)C[NH+]1CCN(C(=O)C(=O)NC(C)C)CC1 ZINC000346564200 373536865 /nfs/dbraw/zinc/53/68/65/373536865.db2.gz MWRGHNJNXKCEID-LLVKDONJSA-N 1 2 287.360 -1.338 20 0 CAADLO CNC(=O)N1CC[NH+](C[C@H](O)CN2CCOCC2)CC1 ZINC000346501100 373533231 /nfs/dbraw/zinc/53/32/31/373533231.db2.gz ZHKNYXQJMDSBHZ-LBPRGKRZSA-N 1 2 286.376 -1.364 20 0 CAADLO CNC(=O)N1CCN(C[C@H](O)C[NH+]2CCOCC2)CC1 ZINC000346501100 373533243 /nfs/dbraw/zinc/53/32/43/373533243.db2.gz ZHKNYXQJMDSBHZ-LBPRGKRZSA-N 1 2 286.376 -1.364 20 0 CAADLO C[C@@H](C(=O)NC(N)=O)[N@@H+]1CCN2C(=O)CC[C@@H]2C1 ZINC000346492649 373533727 /nfs/dbraw/zinc/53/37/27/373533727.db2.gz QRDKMDIZJBOWIZ-JGVFFNPUSA-N 1 2 254.290 -1.124 20 0 CAADLO C[C@@H](C(=O)NC(N)=O)[N@H+]1CCN2C(=O)CC[C@@H]2C1 ZINC000346492649 373533732 /nfs/dbraw/zinc/53/37/32/373533732.db2.gz QRDKMDIZJBOWIZ-JGVFFNPUSA-N 1 2 254.290 -1.124 20 0 CAADLO C[C@@H](C(=O)N(C)CC(=O)NC1CC1)[N@H+](C)[C@@H]1CCNC1=O ZINC000535382031 373486120 /nfs/dbraw/zinc/48/61/20/373486120.db2.gz KWNRQFGHYZGBCQ-GXSJLCMTSA-N 1 2 296.371 -1.068 20 0 CAADLO C[C@@H](C(=O)N(C)CC(=O)NC1CC1)[N@@H+](C)[C@@H]1CCNC1=O ZINC000535382031 373486124 /nfs/dbraw/zinc/48/61/24/373486124.db2.gz KWNRQFGHYZGBCQ-GXSJLCMTSA-N 1 2 296.371 -1.068 20 0 CAADLO O=C1NC[C@H]2C[N@H+]([C@@H]3CCCNC3=O)CCN2C1=O ZINC000328616742 373486491 /nfs/dbraw/zinc/48/64/91/373486491.db2.gz SUMWCFVFXJKPKC-DTWKUNHWSA-N 1 2 266.301 -1.252 20 0 CAADLO O=C1NC[C@H]2C[N@@H+]([C@@H]3CCCNC3=O)CCN2C1=O ZINC000328616742 373486496 /nfs/dbraw/zinc/48/64/96/373486496.db2.gz SUMWCFVFXJKPKC-DTWKUNHWSA-N 1 2 266.301 -1.252 20 0 CAADLO CNC(=O)[C@H]1CCC[N@@H+]1CC(=O)NCC(=O)OC ZINC000330615453 373488857 /nfs/dbraw/zinc/48/88/57/373488857.db2.gz COKMFJYTQKGOOB-MRVPVSSYSA-N 1 2 257.290 -1.514 20 0 CAADLO CNC(=O)[C@H]1CCC[N@H+]1CC(=O)NCC(=O)OC ZINC000330615453 373488866 /nfs/dbraw/zinc/48/88/66/373488866.db2.gz COKMFJYTQKGOOB-MRVPVSSYSA-N 1 2 257.290 -1.514 20 0 CAADLO CCS(=O)(=O)NCC(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000330515859 373489024 /nfs/dbraw/zinc/48/90/24/373489024.db2.gz LXAZORPWBCUKBQ-JTQLQIEISA-N 1 2 293.389 -1.237 20 0 CAADLO CN(CCNS(C)(=O)=O)CC[NH+]1CCOCC1 ZINC000330364728 373489160 /nfs/dbraw/zinc/48/91/60/373489160.db2.gz VKHUVUZRPQUWFW-UHFFFAOYSA-N 1 2 265.379 -1.200 20 0 CAADLO CCS(=O)(=O)NCC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000330473996 373489319 /nfs/dbraw/zinc/48/93/19/373489319.db2.gz HVHFPUNDSIHXNS-JTQLQIEISA-N 1 2 293.389 -1.237 20 0 CAADLO CN(CC(F)(F)F)C(=O)C[N@@H+]1CC[C@@](O)(C(N)=O)C1 ZINC000351646929 373579473 /nfs/dbraw/zinc/57/94/73/373579473.db2.gz QHFBXDDVPLPQCF-VIFPVBQESA-N 1 2 283.250 -1.071 20 0 CAADLO CN(CC(F)(F)F)C(=O)C[N@H+]1CC[C@@](O)(C(N)=O)C1 ZINC000351646929 373579480 /nfs/dbraw/zinc/57/94/80/373579480.db2.gz QHFBXDDVPLPQCF-VIFPVBQESA-N 1 2 283.250 -1.071 20 0 CAADLO O=C(N[C@@H]1Cc2c[nH+]cn2C1)[C@@H]1CC(=O)NC(=O)N1 ZINC000623258014 373579680 /nfs/dbraw/zinc/57/96/80/373579680.db2.gz DFLBHGQDIYIELU-SVRRBLITSA-N 1 2 263.257 -1.478 20 0 CAADLO COC(=O)[C@H](NC(=O)C[N@H+]1C[C@@H](O)[C@@H](O)C1)C(C)C ZINC000351635884 373580576 /nfs/dbraw/zinc/58/05/76/373580576.db2.gz QVAGURAWQHOMBH-WCABBAIRSA-N 1 2 274.317 -1.662 20 0 CAADLO COC(=O)[C@H](NC(=O)C[N@@H+]1C[C@@H](O)[C@@H](O)C1)C(C)C ZINC000351635884 373580580 /nfs/dbraw/zinc/58/05/80/373580580.db2.gz QVAGURAWQHOMBH-WCABBAIRSA-N 1 2 274.317 -1.662 20 0 CAADLO OCCOCC[NH+]1CCN(Cc2nnc[nH]2)CC1 ZINC000639722182 373596706 /nfs/dbraw/zinc/59/67/06/373596706.db2.gz RGIGCKRIWVVPMP-UHFFFAOYSA-N 1 2 255.322 -1.069 20 0 CAADLO OCCOCC[NH+]1CCN(Cc2nc[nH]n2)CC1 ZINC000639722182 373596712 /nfs/dbraw/zinc/59/67/12/373596712.db2.gz RGIGCKRIWVVPMP-UHFFFAOYSA-N 1 2 255.322 -1.069 20 0 CAADLO C[C@@H]1C[C@H](O)C[N@@H+]1Cc1nc2c([nH]1)n(C)c(=O)n(C)c2=O ZINC000331527833 373582708 /nfs/dbraw/zinc/58/27/08/373582708.db2.gz QODAWUOWCWPSAP-SFYZADRCSA-N 1 2 293.327 -1.085 20 0 CAADLO C[C@@H]1C[C@H](O)C[N@H+]1Cc1nc2c([nH]1)n(C)c(=O)n(C)c2=O ZINC000331527833 373582710 /nfs/dbraw/zinc/58/27/10/373582710.db2.gz QODAWUOWCWPSAP-SFYZADRCSA-N 1 2 293.327 -1.085 20 0 CAADLO CNS(=O)(=O)CC(=O)NCC[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000617730389 373584407 /nfs/dbraw/zinc/58/44/07/373584407.db2.gz LXINDONQQOJBIR-UWVGGRQHSA-N 1 2 293.389 -1.239 20 0 CAADLO CNS(=O)(=O)CC(=O)NCC[N@H+]1C[C@H](C)OC[C@@H]1C ZINC000617730389 373584419 /nfs/dbraw/zinc/58/44/19/373584419.db2.gz LXINDONQQOJBIR-UWVGGRQHSA-N 1 2 293.389 -1.239 20 0 CAADLO CNS(=O)(=O)CC(=O)NCC[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000617730391 373584591 /nfs/dbraw/zinc/58/45/91/373584591.db2.gz LXINDONQQOJBIR-ZJUUUORDSA-N 1 2 293.389 -1.239 20 0 CAADLO CNS(=O)(=O)CC(=O)NCC[N@H+]1C[C@H](C)OC[C@H]1C ZINC000617730391 373584601 /nfs/dbraw/zinc/58/46/01/373584601.db2.gz LXINDONQQOJBIR-ZJUUUORDSA-N 1 2 293.389 -1.239 20 0 CAADLO C[C@H]1C[N@H+](CCNC(=O)CN2CC(=O)NC2=O)[C@@H](C)CO1 ZINC000617732184 373584908 /nfs/dbraw/zinc/58/49/08/373584908.db2.gz BRXPGUOCFZRQDO-UWVGGRQHSA-N 1 2 298.343 -1.236 20 0 CAADLO C[C@H]1C[N@@H+](CCNC(=O)CN2CC(=O)NC2=O)[C@@H](C)CO1 ZINC000617732184 373584914 /nfs/dbraw/zinc/58/49/14/373584914.db2.gz BRXPGUOCFZRQDO-UWVGGRQHSA-N 1 2 298.343 -1.236 20 0 CAADLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC000617723140 373584997 /nfs/dbraw/zinc/58/49/97/373584997.db2.gz JLBWYHGOLHGTTB-UTLUCORTSA-N 1 2 298.343 -1.190 20 0 CAADLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC000617723140 373585008 /nfs/dbraw/zinc/58/50/08/373585008.db2.gz JLBWYHGOLHGTTB-UTLUCORTSA-N 1 2 298.343 -1.190 20 0 CAADLO C[C@@H]1C[N@H+](CCNC(=O)Cn2ncn(C)c2=O)[C@H](C)CO1 ZINC000617728792 373585087 /nfs/dbraw/zinc/58/50/87/373585087.db2.gz YDFOWVJDMKPLLX-GHMZBOCLSA-N 1 2 297.359 -1.193 20 0 CAADLO C[C@@H]1C[N@@H+](CCNC(=O)Cn2ncn(C)c2=O)[C@H](C)CO1 ZINC000617728792 373585094 /nfs/dbraw/zinc/58/50/94/373585094.db2.gz YDFOWVJDMKPLLX-GHMZBOCLSA-N 1 2 297.359 -1.193 20 0 CAADLO CN(C)S(=O)(=O)CC[N@@H+]1CC[C@H](S(C)(=O)=O)C1 ZINC000352376294 373586690 /nfs/dbraw/zinc/58/66/90/373586690.db2.gz NCJXOXFZFFVJNU-VIFPVBQESA-N 1 2 284.403 -1.003 20 0 CAADLO CN(C)S(=O)(=O)CC[N@H+]1CC[C@H](S(C)(=O)=O)C1 ZINC000352376294 373586700 /nfs/dbraw/zinc/58/67/00/373586700.db2.gz NCJXOXFZFFVJNU-VIFPVBQESA-N 1 2 284.403 -1.003 20 0 CAADLO C[NH+](C)CCC[N@H+](C)CCNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000617766001 373586878 /nfs/dbraw/zinc/58/68/78/373586878.db2.gz YSHPHAVMGRAFHB-UHFFFAOYSA-N 1 2 298.347 -1.104 20 0 CAADLO C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000617766001 373586890 /nfs/dbraw/zinc/58/68/90/373586890.db2.gz YSHPHAVMGRAFHB-UHFFFAOYSA-N 1 2 298.347 -1.104 20 0 CAADLO CN(C)S(=O)(=O)CC[N@@H+]1CC[C@@H](S(C)(=O)=O)C1 ZINC000352376293 373587705 /nfs/dbraw/zinc/58/77/05/373587705.db2.gz NCJXOXFZFFVJNU-SECBINFHSA-N 1 2 284.403 -1.003 20 0 CAADLO CN(C)S(=O)(=O)CC[N@H+]1CC[C@@H](S(C)(=O)=O)C1 ZINC000352376293 373587715 /nfs/dbraw/zinc/58/77/15/373587715.db2.gz NCJXOXFZFFVJNU-SECBINFHSA-N 1 2 284.403 -1.003 20 0 CAADLO C[C@@H]1C[N@H+](CCNC(=O)CNC(N)=O)[C@H](C)CO1 ZINC000617744321 373587789 /nfs/dbraw/zinc/58/77/89/373587789.db2.gz WCCRAVJUEVLGOX-RKDXNWHRSA-N 1 2 258.322 -1.120 20 0 CAADLO C[C@@H]1C[N@@H+](CCNC(=O)CNC(N)=O)[C@H](C)CO1 ZINC000617744321 373587802 /nfs/dbraw/zinc/58/78/02/373587802.db2.gz WCCRAVJUEVLGOX-RKDXNWHRSA-N 1 2 258.322 -1.120 20 0 CAADLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)CNC(N)=O ZINC000617744318 373588517 /nfs/dbraw/zinc/58/85/17/373588517.db2.gz WCCRAVJUEVLGOX-BDAKNGLRSA-N 1 2 258.322 -1.120 20 0 CAADLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)CNC(N)=O ZINC000617744318 373588522 /nfs/dbraw/zinc/58/85/22/373588522.db2.gz WCCRAVJUEVLGOX-BDAKNGLRSA-N 1 2 258.322 -1.120 20 0 CAADLO CNC(=O)NC(=O)[C@H](C)[N@H+](C)[C@@H]1CCN(C)C1=O ZINC000352669378 373590274 /nfs/dbraw/zinc/59/02/74/373590274.db2.gz ZKKXLNLGJCPEQG-JGVFFNPUSA-N 1 2 256.306 -1.007 20 0 CAADLO CNC(=O)NC(=O)[C@H](C)[N@@H+](C)[C@@H]1CCN(C)C1=O ZINC000352669378 373590280 /nfs/dbraw/zinc/59/02/80/373590280.db2.gz ZKKXLNLGJCPEQG-JGVFFNPUSA-N 1 2 256.306 -1.007 20 0 CAADLO COC[C@@H](O)C[NH+]1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC000346569283 373537203 /nfs/dbraw/zinc/53/72/03/373537203.db2.gz RENTXMNJAIWZLQ-NSHDSACASA-N 1 2 285.344 -1.584 20 0 CAADLO CCNS(=O)(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000346635924 373539919 /nfs/dbraw/zinc/53/99/19/373539919.db2.gz NUNFSBUAWXAZBZ-UHFFFAOYSA-N 1 2 292.405 -1.017 20 0 CAADLO COC(=O)CNC(=O)[C@@H](C)[N@H+](C)CC(=O)N(C)C ZINC000346741696 373540308 /nfs/dbraw/zinc/54/03/08/373540308.db2.gz SMWVSCQPYGFQTG-MRVPVSSYSA-N 1 2 259.306 -1.316 20 0 CAADLO COC(=O)CNC(=O)[C@@H](C)[N@@H+](C)CC(=O)N(C)C ZINC000346741696 373540314 /nfs/dbraw/zinc/54/03/14/373540314.db2.gz SMWVSCQPYGFQTG-MRVPVSSYSA-N 1 2 259.306 -1.316 20 0 CAADLO COC[C@@H](O)C[N@@H+]1CCNC(=O)[C@@H]1CC(=O)OC ZINC000348036743 373542682 /nfs/dbraw/zinc/54/26/82/373542682.db2.gz JHJXXDPEJOEACX-IUCAKERBSA-N 1 2 260.290 -1.643 20 0 CAADLO COC[C@@H](O)C[N@H+]1CCNC(=O)[C@@H]1CC(=O)OC ZINC000348036743 373542690 /nfs/dbraw/zinc/54/26/90/373542690.db2.gz JHJXXDPEJOEACX-IUCAKERBSA-N 1 2 260.290 -1.643 20 0 CAADLO COC(=O)CN(CC[NH+]1CCOCC1)Cc1nnnn1C ZINC000348081049 373542979 /nfs/dbraw/zinc/54/29/79/373542979.db2.gz HXTCLSFYDSGHLX-UHFFFAOYSA-N 1 2 298.347 -1.483 20 0 CAADLO C[N@@H+]1CCO[C@@H](C(=O)NC2(c3nn[nH]n3)CC2)C1 ZINC000348293767 373544391 /nfs/dbraw/zinc/54/43/91/373544391.db2.gz OXRLVDCDVGKTOM-SSDOTTSWSA-N 1 2 252.278 -1.364 20 0 CAADLO C[N@H+]1CCO[C@@H](C(=O)NC2(c3nn[nH]n3)CC2)C1 ZINC000348293767 373544399 /nfs/dbraw/zinc/54/43/99/373544399.db2.gz OXRLVDCDVGKTOM-SSDOTTSWSA-N 1 2 252.278 -1.364 20 0 CAADLO CC(C)NC(=O)C[N@H+](C)CC(=O)N[C@@]1(CO)CCOC1 ZINC000348192501 373544783 /nfs/dbraw/zinc/54/47/83/373544783.db2.gz KWAQEXWUZRNWSE-CYBMUJFWSA-N 1 2 287.360 -1.290 20 0 CAADLO CC(C)NC(=O)C[N@@H+](C)CC(=O)N[C@@]1(CO)CCOC1 ZINC000348192501 373544792 /nfs/dbraw/zinc/54/47/92/373544792.db2.gz KWAQEXWUZRNWSE-CYBMUJFWSA-N 1 2 287.360 -1.290 20 0 CAADLO O=C(CO)N1CC[NH+](CCN2C(=O)CCC2=O)CC1 ZINC000348288993 373544867 /nfs/dbraw/zinc/54/48/67/373544867.db2.gz RNMLMASACOZSKE-UHFFFAOYSA-N 1 2 269.301 -1.728 20 0 CAADLO CC(C)(C)n1nnnc1C[N@@H+]1CC[C@@](O)(C(N)=O)C1 ZINC000348212757 373545440 /nfs/dbraw/zinc/54/54/40/373545440.db2.gz UUMAXRUPJAZRBG-NSHDSACASA-N 1 2 268.321 -1.150 20 0 CAADLO CC(C)(C)n1nnnc1C[N@H+]1CC[C@@](O)(C(N)=O)C1 ZINC000348212757 373545447 /nfs/dbraw/zinc/54/54/47/373545447.db2.gz UUMAXRUPJAZRBG-NSHDSACASA-N 1 2 268.321 -1.150 20 0 CAADLO CC(C)NC(=O)C[N@H+](C)CC(=O)N[C@]1(CO)CCOC1 ZINC000348192502 373546326 /nfs/dbraw/zinc/54/63/26/373546326.db2.gz KWAQEXWUZRNWSE-ZDUSSCGKSA-N 1 2 287.360 -1.290 20 0 CAADLO CC(C)NC(=O)C[N@@H+](C)CC(=O)N[C@]1(CO)CCOC1 ZINC000348192502 373546333 /nfs/dbraw/zinc/54/63/33/373546333.db2.gz KWAQEXWUZRNWSE-ZDUSSCGKSA-N 1 2 287.360 -1.290 20 0 CAADLO Cn1cc(CCC[N@@H+]2CCN(CC(N)=O)C(=O)C2)cn1 ZINC000639256542 373547338 /nfs/dbraw/zinc/54/73/38/373547338.db2.gz BDISLQHXLREWAY-UHFFFAOYSA-N 1 2 279.344 -1.018 20 0 CAADLO Cn1cc(CCC[N@H+]2CCN(CC(N)=O)C(=O)C2)cn1 ZINC000639256542 373547350 /nfs/dbraw/zinc/54/73/50/373547350.db2.gz BDISLQHXLREWAY-UHFFFAOYSA-N 1 2 279.344 -1.018 20 0 CAADLO COCCN(C)S(=O)(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000348324583 373548514 /nfs/dbraw/zinc/54/85/14/373548514.db2.gz DGZYBKSEHNZVBL-LLVKDONJSA-N 1 2 294.421 -1.355 20 0 CAADLO COCCN(C)S(=O)(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000348324583 373548523 /nfs/dbraw/zinc/54/85/23/373548523.db2.gz DGZYBKSEHNZVBL-LLVKDONJSA-N 1 2 294.421 -1.355 20 0 CAADLO COCCN(C)S(=O)(=O)NC[C@@H]1CN(C)CC[N@@H+]1C ZINC000348324583 373548527 /nfs/dbraw/zinc/54/85/27/373548527.db2.gz DGZYBKSEHNZVBL-LLVKDONJSA-N 1 2 294.421 -1.355 20 0 CAADLO COCCN(C)S(=O)(=O)NC[C@@H]1CN(C)CC[N@H+]1C ZINC000348324583 373548531 /nfs/dbraw/zinc/54/85/31/373548531.db2.gz DGZYBKSEHNZVBL-LLVKDONJSA-N 1 2 294.421 -1.355 20 0 CAADLO CO[C@]1(C[N@@H+]2CCN(CC(N)=O)C(=O)C2)CCOC1 ZINC000639256559 373549004 /nfs/dbraw/zinc/54/90/04/373549004.db2.gz BWFFPWRGHQFHAK-LBPRGKRZSA-N 1 2 271.317 -1.579 20 0 CAADLO CO[C@]1(C[N@H+]2CCN(CC(N)=O)C(=O)C2)CCOC1 ZINC000639256559 373549008 /nfs/dbraw/zinc/54/90/08/373549008.db2.gz BWFFPWRGHQFHAK-LBPRGKRZSA-N 1 2 271.317 -1.579 20 0 CAADLO CCOC(=O)C1(O)CC[NH+]([C@@H](C)C(=O)NC(N)=O)CC1 ZINC000348540839 373550512 /nfs/dbraw/zinc/55/05/12/373550512.db2.gz MHWZLAKZIKFXJL-QMMMGPOBSA-N 1 2 287.316 -1.040 20 0 CAADLO CO[C@H](C(=O)NCC(=O)NCC[NH+]1CCOCC1)C1CC1 ZINC000349711655 373555696 /nfs/dbraw/zinc/55/56/96/373555696.db2.gz IDHCIFAAQYSEMY-ZDUSSCGKSA-N 1 2 299.371 -1.024 20 0 CAADLO CC(C)[N@H+](CC(N)=O)CC(=O)N[C@H](C)C(=O)N(C)C ZINC000051477096 373559059 /nfs/dbraw/zinc/55/90/59/373559059.db2.gz UJPOEPDSQOMIKT-SECBINFHSA-N 1 2 272.349 -1.225 20 0 CAADLO CC(C)[N@@H+](CC(N)=O)CC(=O)N[C@H](C)C(=O)N(C)C ZINC000051477096 373559067 /nfs/dbraw/zinc/55/90/67/373559067.db2.gz UJPOEPDSQOMIKT-SECBINFHSA-N 1 2 272.349 -1.225 20 0 CAADLO Cn1nnc(C[NH+]2C[C@]3(C)C(=O)NC(=O)[C@@]3(C)C2)n1 ZINC000639365502 373561128 /nfs/dbraw/zinc/56/11/28/373561128.db2.gz PKLRFEBTZNTCML-GHMZBOCLSA-N 1 2 264.289 -1.305 20 0 CAADLO CC(=O)NCCNC(=O)C[N@@H+](C)CC(=O)NC(C)C ZINC000011438643 373561156 /nfs/dbraw/zinc/56/11/56/373561156.db2.gz LYASITWAKIOLJU-UHFFFAOYSA-N 1 2 272.349 -1.305 20 0 CAADLO CC(=O)NCCNC(=O)C[N@H+](C)CC(=O)NC(C)C ZINC000011438643 373561164 /nfs/dbraw/zinc/56/11/64/373561164.db2.gz LYASITWAKIOLJU-UHFFFAOYSA-N 1 2 272.349 -1.305 20 0 CAADLO O=C(N[C@H](CO)C[NH+]1CCOCC1)[C@H]1CCCNC1=O ZINC000632855326 373595506 /nfs/dbraw/zinc/59/55/06/373595506.db2.gz QSBZNDZHKMSXQK-QWRGUYRKSA-N 1 2 285.344 -1.678 20 0 CAADLO Cc1nn(CC(=O)N(C)CC[NH+]2CCOCC2)c(=O)o1 ZINC000639655290 373595588 /nfs/dbraw/zinc/59/55/88/373595588.db2.gz MJYHIYIGXCBIPJ-UHFFFAOYSA-N 1 2 284.316 -1.065 20 0 CAADLO CN(C)S(=O)(=O)CC[NH+]1CCN(c2nc[nH]n2)CC1 ZINC000639731778 373595706 /nfs/dbraw/zinc/59/57/06/373595706.db2.gz MDGHIMPZYOIDKM-UHFFFAOYSA-N 1 2 288.377 -1.182 20 0 CAADLO C[N@H+](CC(=O)N1CCNC(=O)C1)[C@@]1(CO)CCOC1 ZINC000329319759 373565657 /nfs/dbraw/zinc/56/56/57/373565657.db2.gz TXVKXFBNVQKDNZ-GFCCVEGCSA-N 1 2 271.317 -1.132 20 0 CAADLO C[N@@H+](CC(=O)N1CCNC(=O)C1)[C@@]1(CO)CCOC1 ZINC000329319759 373565665 /nfs/dbraw/zinc/56/56/65/373565665.db2.gz TXVKXFBNVQKDNZ-GFCCVEGCSA-N 1 2 271.317 -1.132 20 0 CAADLO NC(=O)CN1CC[N@H+](C[C@@H]2CCc3ncnn32)CC1=O ZINC000639670428 373595768 /nfs/dbraw/zinc/59/57/68/373595768.db2.gz JUSSAFHFULSZQP-VIFPVBQESA-N 1 2 278.316 -1.605 20 0 CAADLO NC(=O)CN1CC[N@@H+](C[C@@H]2CCc3ncnn32)CC1=O ZINC000639670428 373595772 /nfs/dbraw/zinc/59/57/72/373595772.db2.gz JUSSAFHFULSZQP-VIFPVBQESA-N 1 2 278.316 -1.605 20 0 CAADLO C[C@@H](CN1CCOCC1)[N@@H+]1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC000329323398 373566331 /nfs/dbraw/zinc/56/63/31/373566331.db2.gz RYIZZAYOBNCGKA-NWDGAFQWSA-N 1 2 296.371 -1.650 20 0 CAADLO C[C@@H](CN1CCOCC1)[N@H+]1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC000329323398 373566338 /nfs/dbraw/zinc/56/63/38/373566338.db2.gz RYIZZAYOBNCGKA-NWDGAFQWSA-N 1 2 296.371 -1.650 20 0 CAADLO Cn1cc(S(=O)(=O)NC[C@@H]2C[N@H+](C)CCN2C)cn1 ZINC000329374922 373567504 /nfs/dbraw/zinc/56/75/04/373567504.db2.gz NPBZLYDHYBSYJO-SNVBAGLBSA-N 1 2 287.389 -1.056 20 0 CAADLO Cn1cc(S(=O)(=O)NC[C@@H]2C[N@@H+](C)CCN2C)cn1 ZINC000329374922 373567512 /nfs/dbraw/zinc/56/75/12/373567512.db2.gz NPBZLYDHYBSYJO-SNVBAGLBSA-N 1 2 287.389 -1.056 20 0 CAADLO CS(=O)(=O)NCC[NH+]1CCN(c2nc[nH]n2)CC1 ZINC000639731228 373595827 /nfs/dbraw/zinc/59/58/27/373595827.db2.gz WJYYZNLYLJSAEB-UHFFFAOYSA-N 1 2 274.350 -1.524 20 0 CAADLO CCS(=O)(=O)NCC[NH+]1CCN(c2nc[nH]n2)CC1 ZINC000639730604 373595876 /nfs/dbraw/zinc/59/58/76/373595876.db2.gz MDNNOOPMUMFWNK-UHFFFAOYSA-N 1 2 288.377 -1.134 20 0 CAADLO O[C@@H](CN1CCN(c2nc[nH]n2)CC1)C[NH+]1CCOCC1 ZINC000639728001 373595966 /nfs/dbraw/zinc/59/59/66/373595966.db2.gz BZIXFWCPYYROCS-LBPRGKRZSA-N 1 2 296.375 -1.380 20 0 CAADLO COCCCOCC(=O)N[C@@H](CO)C[NH+]1CCOCC1 ZINC000351505077 373571355 /nfs/dbraw/zinc/57/13/55/373571355.db2.gz LOXJHVXCJNPLKP-GFCCVEGCSA-N 1 2 290.360 -1.151 20 0 CAADLO COCCOC[C@H](O)C[NH+]1CCN(Cc2nc[nH]n2)CC1 ZINC000639720144 373596104 /nfs/dbraw/zinc/59/61/04/373596104.db2.gz CGGBAOZRGAAOLW-GFCCVEGCSA-N 1 2 299.375 -1.054 20 0 CAADLO COCCOC[C@H](O)C[NH+]1CCN(Cc2nnc[nH]2)CC1 ZINC000639720144 373596108 /nfs/dbraw/zinc/59/61/08/373596108.db2.gz CGGBAOZRGAAOLW-GFCCVEGCSA-N 1 2 299.375 -1.054 20 0 CAADLO CC(C)(C(N)=O)[NH+]1CCN(C(=O)Cn2cncn2)CC1 ZINC000608761606 373571702 /nfs/dbraw/zinc/57/17/02/373571702.db2.gz IQKYMOGQABRNLV-UHFFFAOYSA-N 1 2 280.332 -1.314 20 0 CAADLO CN(C)C(=O)C[NH+]1CCN(c2nccn(C)c2=O)CC1 ZINC000351512666 373573793 /nfs/dbraw/zinc/57/37/93/373573793.db2.gz HWXJDFCIMWDHKQ-UHFFFAOYSA-N 1 2 279.344 -1.010 20 0 CAADLO COC(=O)[C@H](NC(=O)C[N@@H+]1C[C@H](O)C[C@@H]1CO)C(C)C ZINC000351577747 373577378 /nfs/dbraw/zinc/57/73/78/373577378.db2.gz FVSCCDYGAAZDKQ-CKYFFXLPSA-N 1 2 288.344 -1.272 20 0 CAADLO COC(=O)[C@H](NC(=O)C[N@H+]1C[C@H](O)C[C@@H]1CO)C(C)C ZINC000351577747 373577389 /nfs/dbraw/zinc/57/73/89/373577389.db2.gz FVSCCDYGAAZDKQ-CKYFFXLPSA-N 1 2 288.344 -1.272 20 0 CAADLO NC(=O)CN1CC[N@H+](C[C@H]2CCc3ncnn32)CC1=O ZINC000639670427 373596550 /nfs/dbraw/zinc/59/65/50/373596550.db2.gz JUSSAFHFULSZQP-SECBINFHSA-N 1 2 278.316 -1.605 20 0 CAADLO NC(=O)CN1CC[N@@H+](C[C@H]2CCc3ncnn32)CC1=O ZINC000639670427 373596560 /nfs/dbraw/zinc/59/65/60/373596560.db2.gz JUSSAFHFULSZQP-SECBINFHSA-N 1 2 278.316 -1.605 20 0 CAADLO O=C(N[C@H]1Cc2c[nH+]cn2C1)c1nc2n(n1)CCCN2 ZINC000623257966 373578979 /nfs/dbraw/zinc/57/89/79/373578979.db2.gz AHXOMLYBWFQPAV-QMMMGPOBSA-N 1 2 273.300 -1.098 20 0 CAADLO Cn1[nH]cnc1=NC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000626456122 373622379 /nfs/dbraw/zinc/62/23/79/373622379.db2.gz KAKAOHFAXGMXOJ-QMMMGPOBSA-N 1 2 254.294 -1.311 20 0 CAADLO Cn1[nH]cnc1=NC(=O)NC[C@H]1COCC[N@H+]1C ZINC000626456122 373622382 /nfs/dbraw/zinc/62/23/82/373622382.db2.gz KAKAOHFAXGMXOJ-QMMMGPOBSA-N 1 2 254.294 -1.311 20 0 CAADLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)Cn1cnnn1 ZINC000367728132 373622984 /nfs/dbraw/zinc/62/29/84/373622984.db2.gz RDCZZRLJVZGPNR-MNOVXSKESA-N 1 2 280.332 -1.005 20 0 CAADLO COCCN(C)S(=O)(=O)[C@H]1CCC[N@H+](CC(N)=O)C1 ZINC000373801476 373631000 /nfs/dbraw/zinc/63/10/00/373631000.db2.gz UNIVTUCKDUHFGU-JTQLQIEISA-N 1 2 293.389 -1.156 20 0 CAADLO COCCN(C)S(=O)(=O)[C@H]1CCC[N@@H+](CC(N)=O)C1 ZINC000373801476 373631007 /nfs/dbraw/zinc/63/10/07/373631007.db2.gz UNIVTUCKDUHFGU-JTQLQIEISA-N 1 2 293.389 -1.156 20 0 CAADLO CCOC(=O)[C@H](N)C(=O)NCC[NH+]1CCOCC1 ZINC000223891188 373631204 /nfs/dbraw/zinc/63/12/04/373631204.db2.gz OLHZAHZIOPFUCL-SECBINFHSA-N 1 2 259.306 -1.675 20 0 CAADLO CCOC(=O)[C@H](N)C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000223933154 373632582 /nfs/dbraw/zinc/63/25/82/373632582.db2.gz SFDBKYZDDOWKDG-VHSXEESVSA-N 1 2 273.333 -1.286 20 0 CAADLO COC(=O)CN(C)C(=O)CC[N@@H+]1CCN(C)C(=O)C1 ZINC000610133398 373632844 /nfs/dbraw/zinc/63/28/44/373632844.db2.gz JHEIHEXZVCCGMY-UHFFFAOYSA-N 1 2 271.317 -1.218 20 0 CAADLO COC(=O)CN(C)C(=O)CC[N@H+]1CCN(C)C(=O)C1 ZINC000610133398 373632855 /nfs/dbraw/zinc/63/28/55/373632855.db2.gz JHEIHEXZVCCGMY-UHFFFAOYSA-N 1 2 271.317 -1.218 20 0 CAADLO CCOC(=O)[C@H](N)C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000223933263 373633717 /nfs/dbraw/zinc/63/37/17/373633717.db2.gz SFDBKYZDDOWKDG-NXEZZACHSA-N 1 2 273.333 -1.286 20 0 CAADLO C[C@@H](C(=O)NC(C)(C)C)[N@@H+]1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC000177112192 373638157 /nfs/dbraw/zinc/63/81/57/373638157.db2.gz UVHXINYVCPBDIP-VHSXEESVSA-N 1 2 296.371 -1.068 20 0 CAADLO C[C@@H](C(=O)NC(C)(C)C)[N@H+]1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC000177112192 373638164 /nfs/dbraw/zinc/63/81/64/373638164.db2.gz UVHXINYVCPBDIP-VHSXEESVSA-N 1 2 296.371 -1.068 20 0 CAADLO COC[C@H](C)NC(=O)NC(=O)C[N@H+]1C[C@H](O)C[C@H](O)C1 ZINC000610604199 373644920 /nfs/dbraw/zinc/64/49/20/373644920.db2.gz GTLJSBCFHATGRR-LPEHRKFASA-N 1 2 289.332 -1.725 20 0 CAADLO COC[C@H](C)NC(=O)NC(=O)C[N@@H+]1C[C@H](O)C[C@H](O)C1 ZINC000610604199 373644924 /nfs/dbraw/zinc/64/49/24/373644924.db2.gz GTLJSBCFHATGRR-LPEHRKFASA-N 1 2 289.332 -1.725 20 0 CAADLO CCN1C(=O)[C@@H]2C[N@H+](CC(=O)NC(N)=O)CCN2C1=O ZINC000610605688 373644949 /nfs/dbraw/zinc/64/49/49/373644949.db2.gz TWVZJNWLHLWNIO-ZETCQYMHSA-N 1 2 283.288 -1.850 20 0 CAADLO CCN1C(=O)[C@@H]2C[N@@H+](CC(=O)NC(N)=O)CCN2C1=O ZINC000610605688 373644952 /nfs/dbraw/zinc/64/49/52/373644952.db2.gz TWVZJNWLHLWNIO-ZETCQYMHSA-N 1 2 283.288 -1.850 20 0 CAADLO CC(C)CNC(=O)NC(=O)C[N@H+]1C[C@H](O)C[C@H](O)C1 ZINC000610604634 373645912 /nfs/dbraw/zinc/64/59/12/373645912.db2.gz YGRZAWJICPGSQG-AOOOYVTPSA-N 1 2 273.333 -1.104 20 0 CAADLO CC(C)CNC(=O)NC(=O)C[N@@H+]1C[C@H](O)C[C@H](O)C1 ZINC000610604634 373645923 /nfs/dbraw/zinc/64/59/23/373645923.db2.gz YGRZAWJICPGSQG-AOOOYVTPSA-N 1 2 273.333 -1.104 20 0 CAADLO CNC(=O)C[N@H+](C)CC(=O)NC(=O)N[C@@H](C)COC ZINC000053148386 373647281 /nfs/dbraw/zinc/64/72/81/373647281.db2.gz QDSIYMXDRXZBTD-QMMMGPOBSA-N 1 2 274.321 -1.475 20 0 CAADLO CNC(=O)C[N@@H+](C)CC(=O)NC(=O)N[C@@H](C)COC ZINC000053148386 373647282 /nfs/dbraw/zinc/64/72/82/373647282.db2.gz QDSIYMXDRXZBTD-QMMMGPOBSA-N 1 2 274.321 -1.475 20 0 CAADLO CNC(=O)C[N@H+](C)CC(=O)NC(=O)N[C@H](C)COC ZINC000053148388 373648472 /nfs/dbraw/zinc/64/84/72/373648472.db2.gz QDSIYMXDRXZBTD-MRVPVSSYSA-N 1 2 274.321 -1.475 20 0 CAADLO CNC(=O)C[N@@H+](C)CC(=O)NC(=O)N[C@H](C)COC ZINC000053148388 373648480 /nfs/dbraw/zinc/64/84/80/373648480.db2.gz QDSIYMXDRXZBTD-MRVPVSSYSA-N 1 2 274.321 -1.475 20 0 CAADLO CCNC(=O)C[N@H+](C)CC(=O)NC(=O)N[C@@H](C)COC ZINC000052188040 373649997 /nfs/dbraw/zinc/64/99/97/373649997.db2.gz ZENHFAXVPAHKOQ-VIFPVBQESA-N 1 2 288.348 -1.085 20 0 CAADLO CCNC(=O)C[N@@H+](C)CC(=O)NC(=O)N[C@@H](C)COC ZINC000052188040 373650009 /nfs/dbraw/zinc/65/00/09/373650009.db2.gz ZENHFAXVPAHKOQ-VIFPVBQESA-N 1 2 288.348 -1.085 20 0 CAADLO CNC(=O)CCC[NH+]1CCN(S(=O)(=O)NC)CC1 ZINC000584663183 373650654 /nfs/dbraw/zinc/65/06/54/373650654.db2.gz VUVOUQFQZOOYRI-UHFFFAOYSA-N 1 2 278.378 -1.406 20 0 CAADLO CNC(=O)NC[C@@H]1COCC[N@@H+]1C[C@H](O)COC ZINC000640103529 373652451 /nfs/dbraw/zinc/65/24/51/373652451.db2.gz SPOQWJCWSNAOFQ-ZJUUUORDSA-N 1 2 261.322 -1.377 20 0 CAADLO CNC(=O)NC[C@@H]1COCC[N@H+]1C[C@H](O)COC ZINC000640103529 373652457 /nfs/dbraw/zinc/65/24/57/373652457.db2.gz SPOQWJCWSNAOFQ-ZJUUUORDSA-N 1 2 261.322 -1.377 20 0 CAADLO CNC(=O)NC[C@@H]1COCCN1CC[NH+]1CCOCC1 ZINC000640104306 373652522 /nfs/dbraw/zinc/65/25/22/373652522.db2.gz YXLDPLJPGDDSAO-GFCCVEGCSA-N 1 2 286.376 -1.052 20 0 CAADLO CNC(=O)NC[C@@H]1COCC[N@@H+]1CCOCCO ZINC000640101433 373653370 /nfs/dbraw/zinc/65/33/70/373653370.db2.gz FGPAINMWBUDKEZ-SNVBAGLBSA-N 1 2 261.322 -1.375 20 0 CAADLO CNC(=O)NC[C@@H]1COCC[N@H+]1CCOCCO ZINC000640101433 373653385 /nfs/dbraw/zinc/65/33/85/373653385.db2.gz FGPAINMWBUDKEZ-SNVBAGLBSA-N 1 2 261.322 -1.375 20 0 CAADLO COC(=O)CNC(=O)C[N@H+](C)CC(=O)N1CCCC1 ZINC000016433226 373653443 /nfs/dbraw/zinc/65/34/43/373653443.db2.gz UUBHTEJZMLQTFG-UHFFFAOYSA-N 1 2 271.317 -1.170 20 0 CAADLO COC(=O)CNC(=O)C[N@@H+](C)CC(=O)N1CCCC1 ZINC000016433226 373653453 /nfs/dbraw/zinc/65/34/53/373653453.db2.gz UUBHTEJZMLQTFG-UHFFFAOYSA-N 1 2 271.317 -1.170 20 0 CAADLO CNC(=O)NC[C@H]1COCC[N@@H+]1C[C@@H](O)COC ZINC000640103528 373654081 /nfs/dbraw/zinc/65/40/81/373654081.db2.gz SPOQWJCWSNAOFQ-VHSXEESVSA-N 1 2 261.322 -1.377 20 0 CAADLO CNC(=O)NC[C@H]1COCC[N@H+]1C[C@@H](O)COC ZINC000640103528 373654083 /nfs/dbraw/zinc/65/40/83/373654083.db2.gz SPOQWJCWSNAOFQ-VHSXEESVSA-N 1 2 261.322 -1.377 20 0 CAADLO CNC(=O)NC[C@H]1COCC[N@@H+]1C[C@H](O)Cn1cccn1 ZINC000640118282 373654981 /nfs/dbraw/zinc/65/49/81/373654981.db2.gz BGDMDNPBXMOUAO-RYUDHWBXSA-N 1 2 297.359 -1.126 20 0 CAADLO CNC(=O)NC[C@H]1COCC[N@H+]1C[C@H](O)Cn1cccn1 ZINC000640118282 373654989 /nfs/dbraw/zinc/65/49/89/373654989.db2.gz BGDMDNPBXMOUAO-RYUDHWBXSA-N 1 2 297.359 -1.126 20 0 CAADLO CS(=O)(=O)N[C@@H]1CCC[N@H+](CC(=O)NC(N)=O)C1 ZINC000052669408 373655308 /nfs/dbraw/zinc/65/53/08/373655308.db2.gz ZHXLVDUSLWSHJC-SSDOTTSWSA-N 1 2 278.334 -1.805 20 0 CAADLO CS(=O)(=O)N[C@@H]1CCC[N@@H+](CC(=O)NC(N)=O)C1 ZINC000052669408 373655316 /nfs/dbraw/zinc/65/53/16/373655316.db2.gz ZHXLVDUSLWSHJC-SSDOTTSWSA-N 1 2 278.334 -1.805 20 0 CAADLO CN1CCN(C(=O)C(=O)NCCn2cc[nH+]c2)CC1=O ZINC000563968760 373597684 /nfs/dbraw/zinc/59/76/84/373597684.db2.gz FUQATZHSCANNPE-UHFFFAOYSA-N 1 2 279.300 -1.700 20 0 CAADLO CNC(=O)CC[N@@H+]1CCOC[C@H]1CNC(=O)NC ZINC000640125227 373656213 /nfs/dbraw/zinc/65/62/13/373656213.db2.gz SBHGWINMFHTSKY-SECBINFHSA-N 1 2 258.322 -1.248 20 0 CAADLO CNC(=O)CC[N@H+]1CCOC[C@H]1CNC(=O)NC ZINC000640125227 373656222 /nfs/dbraw/zinc/65/62/22/373656222.db2.gz SBHGWINMFHTSKY-SECBINFHSA-N 1 2 258.322 -1.248 20 0 CAADLO CC(C)NC(=O)C[N@H+](C)CC(=O)N[C@@H](C)CC(N)=O ZINC000354087381 373606477 /nfs/dbraw/zinc/60/64/77/373606477.db2.gz ZUGJPDBUGSDAIZ-VIFPVBQESA-N 1 2 272.349 -1.177 20 0 CAADLO CC(C)NC(=O)C[N@@H+](C)CC(=O)N[C@@H](C)CC(N)=O ZINC000354087381 373606485 /nfs/dbraw/zinc/60/64/85/373606485.db2.gz ZUGJPDBUGSDAIZ-VIFPVBQESA-N 1 2 272.349 -1.177 20 0 CAADLO CNC(=O)NC[C@@H]1COCC[N@@H+]1C[C@H](O)Cn1cccn1 ZINC000640118280 373656270 /nfs/dbraw/zinc/65/62/70/373656270.db2.gz BGDMDNPBXMOUAO-NEPJUHHUSA-N 1 2 297.359 -1.126 20 0 CAADLO CNC(=O)NC[C@@H]1COCC[N@H+]1C[C@H](O)Cn1cccn1 ZINC000640118280 373656278 /nfs/dbraw/zinc/65/62/78/373656278.db2.gz BGDMDNPBXMOUAO-NEPJUHHUSA-N 1 2 297.359 -1.126 20 0 CAADLO CNC(=O)NC[C@@H]1COCC[N@@H+]1C[C@@H](O)Cn1cccn1 ZINC000640118283 373656525 /nfs/dbraw/zinc/65/65/25/373656525.db2.gz BGDMDNPBXMOUAO-VXGBXAGGSA-N 1 2 297.359 -1.126 20 0 CAADLO CNC(=O)NC[C@@H]1COCC[N@H+]1C[C@@H](O)Cn1cccn1 ZINC000640118283 373656538 /nfs/dbraw/zinc/65/65/38/373656538.db2.gz BGDMDNPBXMOUAO-VXGBXAGGSA-N 1 2 297.359 -1.126 20 0 CAADLO CO[C@@H]1CN(C[C@@H](O)C[NH+]2CCOCC2)CCO1 ZINC000639833919 373613141 /nfs/dbraw/zinc/61/31/41/373613141.db2.gz KDJYNLCTGIYVBB-RYUDHWBXSA-N 1 2 260.334 -1.016 20 0 CAADLO CO[C@@H]1C[N@H+](C[C@@H](O)CN2CCOCC2)CCO1 ZINC000639833919 373613150 /nfs/dbraw/zinc/61/31/50/373613150.db2.gz KDJYNLCTGIYVBB-RYUDHWBXSA-N 1 2 260.334 -1.016 20 0 CAADLO CO[C@@H]1C[N@@H+](C[C@@H](O)CN2CCOCC2)CCO1 ZINC000639833919 373613157 /nfs/dbraw/zinc/61/31/57/373613157.db2.gz KDJYNLCTGIYVBB-RYUDHWBXSA-N 1 2 260.334 -1.016 20 0 CAADLO CN(C)C(=O)CNC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000623369521 373617759 /nfs/dbraw/zinc/61/77/59/373617759.db2.gz GHQONAQOKLWOQE-VIFPVBQESA-N 1 2 258.322 -1.296 20 0 CAADLO CN(C)C(=O)CNC(=O)NC[C@H]1COCC[N@H+]1C ZINC000623369521 373617762 /nfs/dbraw/zinc/61/77/62/373617762.db2.gz GHQONAQOKLWOQE-VIFPVBQESA-N 1 2 258.322 -1.296 20 0 CAADLO NS(=O)(=O)C[C@H]1CCC[N@@H+]1CC(=O)N1CCNC1=O ZINC000358424807 373618829 /nfs/dbraw/zinc/61/88/29/373618829.db2.gz IVKJRCBUKKOKLP-MRVPVSSYSA-N 1 2 290.345 -1.709 20 0 CAADLO NS(=O)(=O)C[C@H]1CCC[N@H+]1CC(=O)N1CCNC1=O ZINC000358424807 373618838 /nfs/dbraw/zinc/61/88/38/373618838.db2.gz IVKJRCBUKKOKLP-MRVPVSSYSA-N 1 2 290.345 -1.709 20 0 CAADLO CN1C(=O)CN(CC(=O)NCC[NH+]2CCOCC2)C1=O ZINC000623381311 373619825 /nfs/dbraw/zinc/61/98/25/373619825.db2.gz NFAFHBCQCQJBHD-UHFFFAOYSA-N 1 2 284.316 -1.671 20 0 CAADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(C)(C)O ZINC000362350386 373620017 /nfs/dbraw/zinc/62/00/17/373620017.db2.gz ZUGIIFNXHQJCGO-JTQLQIEISA-N 1 2 260.334 -1.091 20 0 CAADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(C)(C)O ZINC000362350389 373620879 /nfs/dbraw/zinc/62/08/79/373620879.db2.gz ZUGIIFNXHQJCGO-SNVBAGLBSA-N 1 2 260.334 -1.091 20 0 CAADLO O=C(NC[C@@H]1C[NH+]2CCN1CC2)c1ccn2nnnc2c1 ZINC000612748179 373709177 /nfs/dbraw/zinc/70/91/77/373709177.db2.gz RRTDVRFGSKJXDW-LLVKDONJSA-N 1 2 287.327 -1.146 20 0 CAADLO O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)[C@@H]1CC(=O)NC(=O)N1 ZINC000612696007 373709989 /nfs/dbraw/zinc/70/99/89/373709989.db2.gz NHKMBOOFQMEKQU-MUWHJKNJSA-N 1 2 277.284 -1.019 20 0 CAADLO O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)[C@@H]1CC(=O)NC(=O)N1 ZINC000612696007 373709996 /nfs/dbraw/zinc/70/99/96/373709996.db2.gz NHKMBOOFQMEKQU-MUWHJKNJSA-N 1 2 277.284 -1.019 20 0 CAADLO C[C@H]1C[N@H+](CCNC(=O)Cn2ncn(C)c2=O)CCO1 ZINC000537609409 373720173 /nfs/dbraw/zinc/72/01/73/373720173.db2.gz VCUSQPFJAFZYGQ-JTQLQIEISA-N 1 2 283.332 -1.581 20 0 CAADLO C[C@H]1C[N@@H+](CCNC(=O)Cn2ncn(C)c2=O)CCO1 ZINC000537609409 373720177 /nfs/dbraw/zinc/72/01/77/373720177.db2.gz VCUSQPFJAFZYGQ-JTQLQIEISA-N 1 2 283.332 -1.581 20 0 CAADLO CO[C@@H](C(=O)NCCC[N@@H+]1CCNC(=O)C1)[C@@H]1CCOC1 ZINC000612879660 373714981 /nfs/dbraw/zinc/71/49/81/373714981.db2.gz BXJROSKJHKSQDS-DGCLKSJQSA-N 1 2 299.371 -1.024 20 0 CAADLO CO[C@@H](C(=O)NCCC[N@H+]1CCNC(=O)C1)[C@@H]1CCOC1 ZINC000612879660 373714987 /nfs/dbraw/zinc/71/49/87/373714987.db2.gz BXJROSKJHKSQDS-DGCLKSJQSA-N 1 2 299.371 -1.024 20 0 CAADLO CN(C)C(=O)CNS(=O)(=O)C[C@@H]1C[N@H+](C)CCO1 ZINC000631669732 373666859 /nfs/dbraw/zinc/66/68/59/373666859.db2.gz NAAWPPDEKQIIAA-VIFPVBQESA-N 1 2 279.362 -1.675 20 0 CAADLO CN(C)C(=O)CNS(=O)(=O)C[C@@H]1C[N@@H+](C)CCO1 ZINC000631669732 373666866 /nfs/dbraw/zinc/66/68/66/373666866.db2.gz NAAWPPDEKQIIAA-VIFPVBQESA-N 1 2 279.362 -1.675 20 0 CAADLO CC(=O)N1CCN(C(=O)C[N@H+]2C[C@H](C)O[C@H](CO)C2)CC1 ZINC000299955479 373668510 /nfs/dbraw/zinc/66/85/10/373668510.db2.gz CJFUFNCPBSIPBW-AAEUAGOBSA-N 1 2 299.371 -1.241 20 0 CAADLO CC(=O)N1CCN(C(=O)C[N@@H+]2C[C@H](C)O[C@H](CO)C2)CC1 ZINC000299955479 373668516 /nfs/dbraw/zinc/66/85/16/373668516.db2.gz CJFUFNCPBSIPBW-AAEUAGOBSA-N 1 2 299.371 -1.241 20 0 CAADLO C[C@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@H](CO)O1 ZINC000299967981 373669930 /nfs/dbraw/zinc/66/99/30/373669930.db2.gz QQYCQEBJWSHMJH-DTWKUNHWSA-N 1 2 257.290 -1.380 20 0 CAADLO C[C@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@H](CO)O1 ZINC000299967981 373669945 /nfs/dbraw/zinc/66/99/45/373669945.db2.gz QQYCQEBJWSHMJH-DTWKUNHWSA-N 1 2 257.290 -1.380 20 0 CAADLO O=C1NC[C@H]2C[N@@H+]([C@@H]3CCCCNC3=O)CCN2C1=O ZINC000245621217 373671042 /nfs/dbraw/zinc/67/10/42/373671042.db2.gz NWASPAXQXNFLNY-VHSXEESVSA-N 1 2 280.328 -1.702 20 0 CAADLO O=C1NC[C@H]2C[N@H+]([C@@H]3CCCCNC3=O)CCN2C1=O ZINC000245621217 373671050 /nfs/dbraw/zinc/67/10/50/373671050.db2.gz NWASPAXQXNFLNY-VHSXEESVSA-N 1 2 280.328 -1.702 20 0 CAADLO O=C1NC[C@H]2C[N@@H+]([C@H]3CCCCNC3=O)CCN2C1=O ZINC000245621206 373672092 /nfs/dbraw/zinc/67/20/92/373672092.db2.gz NWASPAXQXNFLNY-UWVGGRQHSA-N 1 2 280.328 -1.702 20 0 CAADLO O=C1NC[C@H]2C[N@H+]([C@H]3CCCCNC3=O)CCN2C1=O ZINC000245621206 373672101 /nfs/dbraw/zinc/67/21/01/373672101.db2.gz NWASPAXQXNFLNY-UWVGGRQHSA-N 1 2 280.328 -1.702 20 0 CAADLO COC(=O)[C@@H]1C[C@@H]1C(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000246078613 373674198 /nfs/dbraw/zinc/67/41/98/373674198.db2.gz FQBMUKZUKXQOPO-GARJFASQSA-N 1 2 267.329 -1.089 20 0 CAADLO COc1c(N)[nH+]cnc1N1CCN(CC(N)=O)C(=O)C1 ZINC000571776446 373676428 /nfs/dbraw/zinc/67/64/28/373676428.db2.gz CBDFFLWUJDRQAZ-UHFFFAOYSA-N 1 2 280.288 -1.799 20 0 CAADLO COc1c(N)nc[nH+]c1N1CCN(CC(N)=O)C(=O)C1 ZINC000571776446 373676434 /nfs/dbraw/zinc/67/64/34/373676434.db2.gz CBDFFLWUJDRQAZ-UHFFFAOYSA-N 1 2 280.288 -1.799 20 0 CAADLO O=C(C[N@H+]1CC[C@H](CO)[C@@H](O)C1)N1CCNC(=O)C1 ZINC000571857596 373678117 /nfs/dbraw/zinc/67/81/17/373678117.db2.gz LLYINTOVXIPARM-ZJUUUORDSA-N 1 2 271.317 -2.380 20 0 CAADLO O=C(C[N@@H+]1CC[C@H](CO)[C@@H](O)C1)N1CCNC(=O)C1 ZINC000571857596 373678121 /nfs/dbraw/zinc/67/81/21/373678121.db2.gz LLYINTOVXIPARM-ZJUUUORDSA-N 1 2 271.317 -2.380 20 0 CAADLO Cn1ccc(=O)n(CCCNC(=O)Cn2cc[nH+]c2)c1=O ZINC000626680753 373680374 /nfs/dbraw/zinc/68/03/74/373680374.db2.gz GMOUWBFRFRVPEN-UHFFFAOYSA-N 1 2 291.311 -1.050 20 0 CAADLO NS(=O)(=O)c1cccnc1N1CC[NH+](CCO)CC1 ZINC000078524635 373680649 /nfs/dbraw/zinc/68/06/49/373680649.db2.gz WRZHQTUORYSKMI-UHFFFAOYSA-N 1 2 286.357 -1.157 20 0 CAADLO CC(C)(C(=O)N1C[C@H](O)[C@@H](O)C1)[NH+]1CCOCC1 ZINC000628527550 373718540 /nfs/dbraw/zinc/71/85/40/373718540.db2.gz XXVCPIGTWNJZQU-UWVGGRQHSA-N 1 2 258.318 -1.339 20 0 CAADLO CC(C)(C(N)=O)[NH+]1CCN(C(=O)[C@@H]2CCNC2=O)CC1 ZINC000611637518 373683134 /nfs/dbraw/zinc/68/31/34/373683134.db2.gz KIDBMIYDLMBWNL-SECBINFHSA-N 1 2 282.344 -1.469 20 0 CAADLO C[C@@H](C(=O)NCC[NH+]1CCOCC1)N1C(=O)CCC1=O ZINC000611753293 373685388 /nfs/dbraw/zinc/68/53/88/373685388.db2.gz OKNXVTXORJJUOF-JTQLQIEISA-N 1 2 283.328 -1.028 20 0 CAADLO COC(=O)[C@@H](O)CNC(=O)C1([NH+]2CCOCC2)CCC1 ZINC000611857034 373687157 /nfs/dbraw/zinc/68/71/57/373687157.db2.gz XDFPTVMJVKFGAT-JTQLQIEISA-N 1 2 286.328 -1.109 20 0 CAADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@H]1CC(=O)N1 ZINC000612062852 373695265 /nfs/dbraw/zinc/69/52/65/373695265.db2.gz POBXYZFPULPZKX-VHSXEESVSA-N 1 2 271.317 -1.974 20 0 CAADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@@H](O)C1CC1 ZINC000612063772 373695377 /nfs/dbraw/zinc/69/53/77/373695377.db2.gz YVVOZNKHKPCEEW-RYUDHWBXSA-N 1 2 272.345 -1.091 20 0 CAADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@@H]1CC(=O)N1 ZINC000612062851 373695573 /nfs/dbraw/zinc/69/55/73/373695573.db2.gz POBXYZFPULPZKX-UWVGGRQHSA-N 1 2 271.317 -1.974 20 0 CAADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)[C@H]1CC(=O)N1 ZINC000612062850 373695867 /nfs/dbraw/zinc/69/58/67/373695867.db2.gz POBXYZFPULPZKX-NXEZZACHSA-N 1 2 271.317 -1.974 20 0 CAADLO CNC(=O)NC(=O)C[N@@H+]1CCC[C@@]12CCNC2=O ZINC000514870903 373720683 /nfs/dbraw/zinc/72/06/83/373720683.db2.gz NOVKKAHFLRJSQT-NSHDSACASA-N 1 2 254.290 -1.204 20 0 CAADLO CNC(=O)NC(=O)C[N@H+]1CCC[C@@]12CCNC2=O ZINC000514870903 373720692 /nfs/dbraw/zinc/72/06/92/373720692.db2.gz NOVKKAHFLRJSQT-NSHDSACASA-N 1 2 254.290 -1.204 20 0 CAADLO CN1CCC[C@H]([N@@H+]2CCN3C(=O)C(=O)NC[C@H]3C2)C1=O ZINC000537606732 373720717 /nfs/dbraw/zinc/72/07/17/373720717.db2.gz PQYZCDYZMPOZJW-UWVGGRQHSA-N 1 2 280.328 -1.750 20 0 CAADLO CN1CCC[C@H]([N@H+]2CCN3C(=O)C(=O)NC[C@H]3C2)C1=O ZINC000537606732 373720725 /nfs/dbraw/zinc/72/07/25/373720725.db2.gz PQYZCDYZMPOZJW-UWVGGRQHSA-N 1 2 280.328 -1.750 20 0 CAADLO O=C([C@@H]1CCNC1=O)N(CCO)CC[NH+]1CCOCC1 ZINC000612673265 373706870 /nfs/dbraw/zinc/70/68/70/373706870.db2.gz MNDNZXBEYPGDJZ-LLVKDONJSA-N 1 2 285.344 -1.724 20 0 CAADLO COC[C@@H](OC)C(=O)N(CCO)CC[NH+]1CCOCC1 ZINC000612673673 373707116 /nfs/dbraw/zinc/70/71/16/373707116.db2.gz RABDSWZYTSDLEF-GFCCVEGCSA-N 1 2 290.360 -1.199 20 0 CAADLO O=C([C@@H](O)C1CC1)N(CCO)CC[NH+]1CCOCC1 ZINC000612676617 373707142 /nfs/dbraw/zinc/70/71/42/373707142.db2.gz ZMDGMHVNIQWBGS-LBPRGKRZSA-N 1 2 272.345 -1.090 20 0 CAADLO O=C([C@H]1CC(=O)N1)N(CCO)CC[NH+]1CCOCC1 ZINC000612673754 373707790 /nfs/dbraw/zinc/70/77/90/373707790.db2.gz SNMFPTKZJBJMLQ-SNVBAGLBSA-N 1 2 271.317 -1.972 20 0 CAADLO COC(=O)[C@@H]1[C@@H](O)CCC[N@@H+]1CCC(=O)NC(N)=O ZINC000444732811 373771001 /nfs/dbraw/zinc/77/10/01/373771001.db2.gz KKXZBWOUIJQKBT-CBAPKCEASA-N 1 2 273.289 -1.430 20 0 CAADLO COC(=O)[C@@H]1[C@@H](O)CCC[N@H+]1CCC(=O)NC(N)=O ZINC000444732811 373771005 /nfs/dbraw/zinc/77/10/05/373771005.db2.gz KKXZBWOUIJQKBT-CBAPKCEASA-N 1 2 273.289 -1.430 20 0 CAADLO O=C(C[N@H+]1C[C@@H]2C[C@]2(O)C1)NCC(=O)N1CCCC1 ZINC000640479590 373773214 /nfs/dbraw/zinc/77/32/14/373773214.db2.gz YWUSZKLDYOEPRE-GWCFXTLKSA-N 1 2 267.329 -1.208 20 0 CAADLO O=C(C[N@@H+]1C[C@@H]2C[C@]2(O)C1)NCC(=O)N1CCCC1 ZINC000640479590 373773217 /nfs/dbraw/zinc/77/32/17/373773217.db2.gz YWUSZKLDYOEPRE-GWCFXTLKSA-N 1 2 267.329 -1.208 20 0 CAADLO C[C@H](NC(=O)C[N@@H+]1C[C@H]2C[C@@]2(O)C1)C(=O)N(C)C ZINC000640479759 373773753 /nfs/dbraw/zinc/77/37/53/373773753.db2.gz ZRAAOZMMBAKKHA-YGOYTEALSA-N 1 2 255.318 -1.354 20 0 CAADLO C[C@H](NC(=O)C[N@H+]1C[C@H]2C[C@@]2(O)C1)C(=O)N(C)C ZINC000640479759 373773757 /nfs/dbraw/zinc/77/37/57/373773757.db2.gz ZRAAOZMMBAKKHA-YGOYTEALSA-N 1 2 255.318 -1.354 20 0 CAADLO Cn1c2[nH]c(C[N@@H+]3C[C@H]4C[C@@]4(O)C3)nc2c(=O)n(C)c1=O ZINC000640482413 373773912 /nfs/dbraw/zinc/77/39/12/373773912.db2.gz RJCXMHHHGRREHI-FUXBKTLASA-N 1 2 291.311 -1.473 20 0 CAADLO Cn1c2[nH]c(C[N@H+]3C[C@H]4C[C@@]4(O)C3)nc2c(=O)n(C)c1=O ZINC000640482413 373773918 /nfs/dbraw/zinc/77/39/18/373773918.db2.gz RJCXMHHHGRREHI-FUXBKTLASA-N 1 2 291.311 -1.473 20 0 CAADLO CN1CCC[C@@H]([N@@H+]2CCN3C(=O)C(=O)NC[C@@H]3C2)C1=O ZINC000537606723 373721222 /nfs/dbraw/zinc/72/12/22/373721222.db2.gz PQYZCDYZMPOZJW-NXEZZACHSA-N 1 2 280.328 -1.750 20 0 CAADLO CN1CCC[C@@H]([N@H+]2CCN3C(=O)C(=O)NC[C@@H]3C2)C1=O ZINC000537606723 373721232 /nfs/dbraw/zinc/72/12/32/373721232.db2.gz PQYZCDYZMPOZJW-NXEZZACHSA-N 1 2 280.328 -1.750 20 0 CAADLO Cn1cnn(CC(=O)N2CC(n3cc[nH+]c3)C2)c1=O ZINC000537605986 373722030 /nfs/dbraw/zinc/72/20/30/373722030.db2.gz CUNFZDBFGVTDKM-UHFFFAOYSA-N 1 2 262.273 -1.138 20 0 CAADLO O=C(C[N@@H+]1CCC[C@@H]1C(=O)NC1CC1)N1CCNC(=O)C1 ZINC000097258965 373722178 /nfs/dbraw/zinc/72/21/78/373722178.db2.gz QHFJMFSFSUMFRQ-LLVKDONJSA-N 1 2 294.355 -1.312 20 0 CAADLO O=C(C[N@H+]1CCC[C@@H]1C(=O)NC1CC1)N1CCNC(=O)C1 ZINC000097258965 373722185 /nfs/dbraw/zinc/72/21/85/373722185.db2.gz QHFJMFSFSUMFRQ-LLVKDONJSA-N 1 2 294.355 -1.312 20 0 CAADLO O=C(N[C@H](CO)C[NH+]1CCOCC1)c1cc(=O)[nH]cn1 ZINC000626873706 373723781 /nfs/dbraw/zinc/72/37/81/373723781.db2.gz DKWGFNSZEAXJNU-VIFPVBQESA-N 1 2 282.300 -1.395 20 0 CAADLO CC(=O)NCC(=O)NC[C@]1(CO)COCC2(CCC2)[N@H+]1C ZINC000628578786 373734245 /nfs/dbraw/zinc/73/42/45/373734245.db2.gz LHOYGHBBMULOSQ-AWEZNQCLSA-N 1 2 299.371 -1.146 20 0 CAADLO CC(=O)NCC(=O)NC[C@]1(CO)COCC2(CCC2)[N@@H+]1C ZINC000628578786 373734255 /nfs/dbraw/zinc/73/42/55/373734255.db2.gz LHOYGHBBMULOSQ-AWEZNQCLSA-N 1 2 299.371 -1.146 20 0 CAADLO C[C@@H](CC(=O)NC[C@H]1COCC[N@@H+]1C)NC(N)=O ZINC000628912275 373749776 /nfs/dbraw/zinc/74/97/76/373749776.db2.gz HEZSVVJCDXLEHI-IUCAKERBSA-N 1 2 258.322 -1.120 20 0 CAADLO C[C@@H](CC(=O)NC[C@H]1COCC[N@H+]1C)NC(N)=O ZINC000628912275 373749782 /nfs/dbraw/zinc/74/97/82/373749782.db2.gz HEZSVVJCDXLEHI-IUCAKERBSA-N 1 2 258.322 -1.120 20 0 CAADLO CN1CCN(CC(=O)NC[C@H]2COCC[N@@H+]2C)CC1=O ZINC000628915025 373749802 /nfs/dbraw/zinc/74/98/02/373749802.db2.gz OISODCZSWOZFIE-NSHDSACASA-N 1 2 284.360 -1.793 20 0 CAADLO CN1CCN(CC(=O)NC[C@H]2COCC[N@H+]2C)CC1=O ZINC000628915025 373749811 /nfs/dbraw/zinc/74/98/11/373749811.db2.gz OISODCZSWOZFIE-NSHDSACASA-N 1 2 284.360 -1.793 20 0 CAADLO C[C@H](CC(=O)NC[C@H]1COCC[N@@H+]1C)NC(N)=O ZINC000628912273 373749956 /nfs/dbraw/zinc/74/99/56/373749956.db2.gz HEZSVVJCDXLEHI-BDAKNGLRSA-N 1 2 258.322 -1.120 20 0 CAADLO C[C@H](CC(=O)NC[C@H]1COCC[N@H+]1C)NC(N)=O ZINC000628912273 373749964 /nfs/dbraw/zinc/74/99/64/373749964.db2.gz HEZSVVJCDXLEHI-BDAKNGLRSA-N 1 2 258.322 -1.120 20 0 CAADLO COCC(=O)N(C)CC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000628913977 373750209 /nfs/dbraw/zinc/75/02/09/373750209.db2.gz BTJOTHSLVUUVMJ-JTQLQIEISA-N 1 2 273.333 -1.462 20 0 CAADLO COCC(=O)N(C)CC(=O)NC[C@H]1COCC[N@H+]1C ZINC000628913977 373750226 /nfs/dbraw/zinc/75/02/26/373750226.db2.gz BTJOTHSLVUUVMJ-JTQLQIEISA-N 1 2 273.333 -1.462 20 0 CAADLO C[N@@H+]1CCOC[C@H]1CNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC000628914846 373750471 /nfs/dbraw/zinc/75/04/71/373750471.db2.gz QUTSJGXFDVZMSC-SFYZADRCSA-N 1 2 270.289 -1.969 20 0 CAADLO C[N@H+]1CCOC[C@H]1CNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC000628914846 373750476 /nfs/dbraw/zinc/75/04/76/373750476.db2.gz QUTSJGXFDVZMSC-SFYZADRCSA-N 1 2 270.289 -1.969 20 0 CAADLO CC(C)C(=O)N[C@@H](CO)C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000628915816 373750590 /nfs/dbraw/zinc/75/05/90/373750590.db2.gz ZKDOXAVLMPBCJN-QWRGUYRKSA-N 1 2 287.360 -1.434 20 0 CAADLO CC(C)C(=O)N[C@@H](CO)C(=O)NC[C@H]1COCC[N@H+]1C ZINC000628915816 373750601 /nfs/dbraw/zinc/75/06/01/373750601.db2.gz ZKDOXAVLMPBCJN-QWRGUYRKSA-N 1 2 287.360 -1.434 20 0 CAADLO C[N@@H+]1CCOC[C@H]1CNC(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1 ZINC000628912940 373750715 /nfs/dbraw/zinc/75/07/15/373750715.db2.gz ICKFULAXIVPWDY-DDHJBXDOSA-N 1 2 286.328 -2.154 20 0 CAADLO C[N@H+]1CCOC[C@H]1CNC(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1 ZINC000628912940 373750720 /nfs/dbraw/zinc/75/07/20/373750720.db2.gz ICKFULAXIVPWDY-DDHJBXDOSA-N 1 2 286.328 -2.154 20 0 CAADLO CC(=O)N1CC(C(=O)NC[C@@H]2COCC[N@H+]2C)C1 ZINC000628916358 373750845 /nfs/dbraw/zinc/75/08/45/373750845.db2.gz YAUPDEBHSVTPKP-LLVKDONJSA-N 1 2 255.318 -1.089 20 0 CAADLO CC(=O)N1CC(C(=O)NC[C@@H]2COCC[N@@H+]2C)C1 ZINC000628916358 373750851 /nfs/dbraw/zinc/75/08/51/373750851.db2.gz YAUPDEBHSVTPKP-LLVKDONJSA-N 1 2 255.318 -1.089 20 0 CAADLO CCS(=O)(=O)NCC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000628916145 373751024 /nfs/dbraw/zinc/75/10/24/373751024.db2.gz BUKFVZFELQEMHL-SECBINFHSA-N 1 2 279.362 -1.628 20 0 CAADLO CCS(=O)(=O)NCC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000628916145 373751033 /nfs/dbraw/zinc/75/10/33/373751033.db2.gz BUKFVZFELQEMHL-SECBINFHSA-N 1 2 279.362 -1.628 20 0 CAADLO CCS(=O)(=O)N[C@@H](C)C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000628912068 373751160 /nfs/dbraw/zinc/75/11/60/373751160.db2.gz AOQQBPWBQSXMJB-VHSXEESVSA-N 1 2 293.389 -1.239 20 0 CAADLO CCS(=O)(=O)N[C@@H](C)C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000628912068 373751164 /nfs/dbraw/zinc/75/11/64/373751164.db2.gz AOQQBPWBQSXMJB-VHSXEESVSA-N 1 2 293.389 -1.239 20 0 CAADLO CNC(=O)NCCC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000628915116 373751187 /nfs/dbraw/zinc/75/11/87/373751187.db2.gz URLYPSQPXYDIQA-SECBINFHSA-N 1 2 258.322 -1.248 20 0 CAADLO CNC(=O)NCCC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000628915116 373751193 /nfs/dbraw/zinc/75/11/93/373751193.db2.gz URLYPSQPXYDIQA-SECBINFHSA-N 1 2 258.322 -1.248 20 0 CAADLO CN1CC[C@H](C(=O)NC[C@H]2COCC[N@@H+]2C)C1=O ZINC000628914665 373751419 /nfs/dbraw/zinc/75/14/19/373751419.db2.gz LDHUKFIWSDQKJD-VHSXEESVSA-N 1 2 255.318 -1.089 20 0 CAADLO CN1CC[C@H](C(=O)NC[C@H]2COCC[N@H+]2C)C1=O ZINC000628914665 373751421 /nfs/dbraw/zinc/75/14/21/373751421.db2.gz LDHUKFIWSDQKJD-VHSXEESVSA-N 1 2 255.318 -1.089 20 0 CAADLO Cc1nn(CC(=O)NC[C@@H]2COCC[N@@H+]2C)c(=O)n1C ZINC000628912166 373751444 /nfs/dbraw/zinc/75/14/44/373751444.db2.gz FPAKNORXNUPTLK-SNVBAGLBSA-N 1 2 283.332 -1.663 20 0 CAADLO Cc1nn(CC(=O)NC[C@@H]2COCC[N@H+]2C)c(=O)n1C ZINC000628912166 373751448 /nfs/dbraw/zinc/75/14/48/373751448.db2.gz FPAKNORXNUPTLK-SNVBAGLBSA-N 1 2 283.332 -1.663 20 0 CAADLO CN1CC[C@@H](C(=O)NC[C@@H]2COCC[N@@H+]2C)C1=O ZINC000628914667 373751453 /nfs/dbraw/zinc/75/14/53/373751453.db2.gz LDHUKFIWSDQKJD-ZJUUUORDSA-N 1 2 255.318 -1.089 20 0 CAADLO CN1CC[C@@H](C(=O)NC[C@@H]2COCC[N@H+]2C)C1=O ZINC000628914667 373751457 /nfs/dbraw/zinc/75/14/57/373751457.db2.gz LDHUKFIWSDQKJD-ZJUUUORDSA-N 1 2 255.318 -1.089 20 0 CAADLO CN1CCN(CC(=O)NC[C@@H]2COCC[N@@H+]2C)CC1=O ZINC000628915020 373751512 /nfs/dbraw/zinc/75/15/12/373751512.db2.gz OISODCZSWOZFIE-LLVKDONJSA-N 1 2 284.360 -1.793 20 0 CAADLO CN1CCN(CC(=O)NC[C@@H]2COCC[N@H+]2C)CC1=O ZINC000628915020 373751516 /nfs/dbraw/zinc/75/15/16/373751516.db2.gz OISODCZSWOZFIE-LLVKDONJSA-N 1 2 284.360 -1.793 20 0 CAADLO CC(=O)N1CC(OCC(=O)NC[C@H]2COCC[N@H+]2C)C1 ZINC000628912888 373751564 /nfs/dbraw/zinc/75/15/64/373751564.db2.gz KQIWWVBNSIVQGX-NSHDSACASA-N 1 2 285.344 -1.320 20 0 CAADLO CC(=O)N1CC(OCC(=O)NC[C@H]2COCC[N@@H+]2C)C1 ZINC000628912888 373751567 /nfs/dbraw/zinc/75/15/67/373751567.db2.gz KQIWWVBNSIVQGX-NSHDSACASA-N 1 2 285.344 -1.320 20 0 CAADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CC[C@H]1C(N)=O ZINC000628914479 373751575 /nfs/dbraw/zinc/75/15/75/373751575.db2.gz MYVHLDVJESLZSG-IVZWLZJFSA-N 1 2 255.318 -1.055 20 0 CAADLO C[N@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CC[C@H]1C(N)=O ZINC000628914479 373751578 /nfs/dbraw/zinc/75/15/78/373751578.db2.gz MYVHLDVJESLZSG-IVZWLZJFSA-N 1 2 255.318 -1.055 20 0 CAADLO CC(=O)N1CC(C(=O)NC[C@H]2COCC[N@H+]2C)C1 ZINC000628916360 373751653 /nfs/dbraw/zinc/75/16/53/373751653.db2.gz YAUPDEBHSVTPKP-NSHDSACASA-N 1 2 255.318 -1.089 20 0 CAADLO CC(=O)N1CC(C(=O)NC[C@H]2COCC[N@@H+]2C)C1 ZINC000628916360 373751656 /nfs/dbraw/zinc/75/16/56/373751656.db2.gz YAUPDEBHSVTPKP-NSHDSACASA-N 1 2 255.318 -1.089 20 0 CAADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CC[C@@H]1C(N)=O ZINC000628914480 373751713 /nfs/dbraw/zinc/75/17/13/373751713.db2.gz MYVHLDVJESLZSG-LPEHRKFASA-N 1 2 255.318 -1.055 20 0 CAADLO C[N@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CC[C@@H]1C(N)=O ZINC000628914480 373751718 /nfs/dbraw/zinc/75/17/18/373751718.db2.gz MYVHLDVJESLZSG-LPEHRKFASA-N 1 2 255.318 -1.055 20 0 CAADLO C[C@H](C(=O)NC[C@H]1COCC[N@@H+]1C)N1C(=O)CCC1=O ZINC000628920007 373752604 /nfs/dbraw/zinc/75/26/04/373752604.db2.gz ADZRSBGPZUXWTN-ZJUUUORDSA-N 1 2 283.328 -1.029 20 0 CAADLO C[C@H](C(=O)NC[C@H]1COCC[N@H+]1C)N1C(=O)CCC1=O ZINC000628920007 373752610 /nfs/dbraw/zinc/75/26/10/373752610.db2.gz ADZRSBGPZUXWTN-ZJUUUORDSA-N 1 2 283.328 -1.029 20 0 CAADLO Cn1cc(C(=O)NC[C@H]2COCC[N@@H+]2C)c(=O)[nH]c1=O ZINC000628922746 373752633 /nfs/dbraw/zinc/75/26/33/373752633.db2.gz OFTPUMMTCWPZJW-QMMMGPOBSA-N 1 2 282.300 -1.454 20 0 CAADLO Cn1cc(C(=O)NC[C@H]2COCC[N@H+]2C)c(=O)[nH]c1=O ZINC000628922746 373752641 /nfs/dbraw/zinc/75/26/41/373752641.db2.gz OFTPUMMTCWPZJW-QMMMGPOBSA-N 1 2 282.300 -1.454 20 0 CAADLO CN1CCOC[C@@H]1C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000628923687 373752799 /nfs/dbraw/zinc/75/27/99/373752799.db2.gz SDATWMILOOBZSE-WDEREUQCSA-N 1 2 257.334 -1.236 20 0 CAADLO CN1CCOC[C@@H]1C(=O)NC[C@H]1COCC[N@H+]1C ZINC000628923687 373752805 /nfs/dbraw/zinc/75/28/05/373752805.db2.gz SDATWMILOOBZSE-WDEREUQCSA-N 1 2 257.334 -1.236 20 0 CAADLO CN1C[C@H](C(=O)NC[C@H]2COCC[N@@H+]2C)CC1=O ZINC000628920053 373752913 /nfs/dbraw/zinc/75/29/13/373752913.db2.gz AWAUEOUYCTUKKU-ZJUUUORDSA-N 1 2 255.318 -1.089 20 0 CAADLO CN1C[C@H](C(=O)NC[C@H]2COCC[N@H+]2C)CC1=O ZINC000628920053 373752918 /nfs/dbraw/zinc/75/29/18/373752918.db2.gz AWAUEOUYCTUKKU-ZJUUUORDSA-N 1 2 255.318 -1.089 20 0 CAADLO Cn1nc(C(=O)NC[C@@H]2COCC[N@@H+]2C)ccc1=O ZINC000628924994 373752966 /nfs/dbraw/zinc/75/29/66/373752966.db2.gz IETMGRRXHMTIRZ-SECBINFHSA-N 1 2 266.301 -1.159 20 0 CAADLO Cn1nc(C(=O)NC[C@@H]2COCC[N@H+]2C)ccc1=O ZINC000628924994 373752975 /nfs/dbraw/zinc/75/29/75/373752975.db2.gz IETMGRRXHMTIRZ-SECBINFHSA-N 1 2 266.301 -1.159 20 0 CAADLO CN1CC(=O)N(CC(=O)NC[C@@H]2COCC[N@@H+]2C)C1=O ZINC000628924604 373753153 /nfs/dbraw/zinc/75/31/53/373753153.db2.gz DXWZHOJYXFCVDT-SECBINFHSA-N 1 2 284.316 -1.673 20 0 CAADLO CN1CC(=O)N(CC(=O)NC[C@@H]2COCC[N@H+]2C)C1=O ZINC000628924604 373753157 /nfs/dbraw/zinc/75/31/57/373753157.db2.gz DXWZHOJYXFCVDT-SECBINFHSA-N 1 2 284.316 -1.673 20 0 CAADLO Cn1c(=O)ccn(CC(=O)NC[C@H]2COCC[N@@H+]2C)c1=O ZINC000628921685 373753318 /nfs/dbraw/zinc/75/33/18/373753318.db2.gz JPTWQYLSBSSNLG-JTQLQIEISA-N 1 2 296.327 -2.006 20 0 CAADLO Cn1c(=O)ccn(CC(=O)NC[C@H]2COCC[N@H+]2C)c1=O ZINC000628921685 373753323 /nfs/dbraw/zinc/75/33/23/373753323.db2.gz JPTWQYLSBSSNLG-JTQLQIEISA-N 1 2 296.327 -2.006 20 0 CAADLO C[N@@H+]1CCOC[C@H]1CNC(=O)CN1CSCC1=O ZINC000628924961 373753354 /nfs/dbraw/zinc/75/33/54/373753354.db2.gz HXFGUYBHLWPWMA-SECBINFHSA-N 1 2 273.358 -1.034 20 0 CAADLO C[N@H+]1CCOC[C@H]1CNC(=O)CN1CSCC1=O ZINC000628924961 373753358 /nfs/dbraw/zinc/75/33/58/373753358.db2.gz HXFGUYBHLWPWMA-SECBINFHSA-N 1 2 273.358 -1.034 20 0 CAADLO C[C@H](O)[C@H](NC(=O)C1CC1)C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000628920523 373753408 /nfs/dbraw/zinc/75/34/08/373753408.db2.gz XXMAFNJRCICKCN-WCQGTBRESA-N 1 2 299.371 -1.291 20 0 CAADLO C[C@H](O)[C@H](NC(=O)C1CC1)C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000628920523 373753413 /nfs/dbraw/zinc/75/34/13/373753413.db2.gz XXMAFNJRCICKCN-WCQGTBRESA-N 1 2 299.371 -1.291 20 0 CAADLO C[C@H](NS(C)(=O)=O)C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000628919231 373753576 /nfs/dbraw/zinc/75/35/76/373753576.db2.gz SWILQIFQEXVMIG-DTWKUNHWSA-N 1 2 279.362 -1.629 20 0 CAADLO C[C@H](NS(C)(=O)=O)C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000628919231 373753582 /nfs/dbraw/zinc/75/35/82/373753582.db2.gz SWILQIFQEXVMIG-DTWKUNHWSA-N 1 2 279.362 -1.629 20 0 CAADLO CN1CC(=O)N(CC(=O)NC[C@H]2COCC[N@@H+]2C)C1=O ZINC000628924605 373753651 /nfs/dbraw/zinc/75/36/51/373753651.db2.gz DXWZHOJYXFCVDT-VIFPVBQESA-N 1 2 284.316 -1.673 20 0 CAADLO CN1CC(=O)N(CC(=O)NC[C@H]2COCC[N@H+]2C)C1=O ZINC000628924605 373753661 /nfs/dbraw/zinc/75/36/61/373753661.db2.gz DXWZHOJYXFCVDT-VIFPVBQESA-N 1 2 284.316 -1.673 20 0 CAADLO Cn1cnn(CC(=O)NC[C@H]2COCC[N@@H+]2C)c1=O ZINC000628920097 373753676 /nfs/dbraw/zinc/75/36/76/373753676.db2.gz WKOJVXMVYZLNEP-VIFPVBQESA-N 1 2 269.305 -1.971 20 0 CAADLO Cn1cnn(CC(=O)NC[C@H]2COCC[N@H+]2C)c1=O ZINC000628920097 373753682 /nfs/dbraw/zinc/75/36/82/373753682.db2.gz WKOJVXMVYZLNEP-VIFPVBQESA-N 1 2 269.305 -1.971 20 0 CAADLO Cn1cnn(CC(=O)NC[C@@H]2COCC[N@@H+]2C)c1=O ZINC000628920090 373753983 /nfs/dbraw/zinc/75/39/83/373753983.db2.gz WKOJVXMVYZLNEP-SECBINFHSA-N 1 2 269.305 -1.971 20 0 CAADLO Cn1cnn(CC(=O)NC[C@@H]2COCC[N@H+]2C)c1=O ZINC000628920090 373753988 /nfs/dbraw/zinc/75/39/88/373753988.db2.gz WKOJVXMVYZLNEP-SECBINFHSA-N 1 2 269.305 -1.971 20 0 CAADLO CN1CCOC[C@@H]1C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000628923684 373754441 /nfs/dbraw/zinc/75/44/41/373754441.db2.gz SDATWMILOOBZSE-GHMZBOCLSA-N 1 2 257.334 -1.236 20 0 CAADLO CN1CCOC[C@@H]1C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000628923684 373754449 /nfs/dbraw/zinc/75/44/49/373754449.db2.gz SDATWMILOOBZSE-GHMZBOCLSA-N 1 2 257.334 -1.236 20 0 CAADLO C[N@@H+]1CCOC[C@H]1CNC(=O)CNC(=O)C1CC1 ZINC000628921633 373754666 /nfs/dbraw/zinc/75/46/66/373754666.db2.gz RGYKGIODDQGHNY-SNVBAGLBSA-N 1 2 255.318 -1.041 20 0 CAADLO C[N@H+]1CCOC[C@H]1CNC(=O)CNC(=O)C1CC1 ZINC000628921633 373754677 /nfs/dbraw/zinc/75/46/77/373754677.db2.gz RGYKGIODDQGHNY-SNVBAGLBSA-N 1 2 255.318 -1.041 20 0 CAADLO CN1C[C@@H](C(=O)NC[C@@H]2COCC[N@@H+]2C)CC1=O ZINC000628920050 373754768 /nfs/dbraw/zinc/75/47/68/373754768.db2.gz AWAUEOUYCTUKKU-VHSXEESVSA-N 1 2 255.318 -1.089 20 0 CAADLO CN1C[C@@H](C(=O)NC[C@@H]2COCC[N@H+]2C)CC1=O ZINC000628920050 373754778 /nfs/dbraw/zinc/75/47/78/373754778.db2.gz AWAUEOUYCTUKKU-VHSXEESVSA-N 1 2 255.318 -1.089 20 0 CAADLO CC1(C)C(=O)NCCN1C(=O)CN1CC[NH2+]CC1=O ZINC000156165423 373761942 /nfs/dbraw/zinc/76/19/42/373761942.db2.gz PATDYUBEEJHUIU-UHFFFAOYSA-N 1 2 268.317 -1.845 20 0 CAADLO COCCOCCS(=O)(=O)N1CC[N@H+](C)C[C@@H]1CO ZINC000632578078 373764564 /nfs/dbraw/zinc/76/45/64/373764564.db2.gz MWZOLBISEYTRAQ-LLVKDONJSA-N 1 2 296.389 -1.413 20 0 CAADLO COCCOCCS(=O)(=O)N1CC[N@@H+](C)C[C@@H]1CO ZINC000632578078 373764573 /nfs/dbraw/zinc/76/45/73/373764573.db2.gz MWZOLBISEYTRAQ-LLVKDONJSA-N 1 2 296.389 -1.413 20 0 CAADLO Cn1nccc1S(=O)(=O)N1CC[N@H+](C)C[C@H]1CO ZINC000632578200 373764590 /nfs/dbraw/zinc/76/45/90/373764590.db2.gz PKSJRUQKYNVDFZ-VIFPVBQESA-N 1 2 274.346 -1.283 20 0 CAADLO Cn1nccc1S(=O)(=O)N1CC[N@@H+](C)C[C@H]1CO ZINC000632578200 373764600 /nfs/dbraw/zinc/76/46/00/373764600.db2.gz PKSJRUQKYNVDFZ-VIFPVBQESA-N 1 2 274.346 -1.283 20 0 CAADLO CN(C1CC1)S(=O)(=O)N1CC[N@H+](C)C[C@@H]1CO ZINC000632577436 373765261 /nfs/dbraw/zinc/76/52/61/373765261.db2.gz BFPGNXIROXMWLM-SNVBAGLBSA-N 1 2 263.363 -1.066 20 0 CAADLO CN(C1CC1)S(=O)(=O)N1CC[N@@H+](C)C[C@@H]1CO ZINC000632577436 373765267 /nfs/dbraw/zinc/76/52/67/373765267.db2.gz BFPGNXIROXMWLM-SNVBAGLBSA-N 1 2 263.363 -1.066 20 0 CAADLO CCOCCS(=O)(=O)N1CC[N@H+](C)C[C@@H]1CO ZINC000632578372 373765607 /nfs/dbraw/zinc/76/56/07/373765607.db2.gz UFTGQYHMCQMKPY-SNVBAGLBSA-N 1 2 266.363 -1.039 20 0 CAADLO CCOCCS(=O)(=O)N1CC[N@@H+](C)C[C@@H]1CO ZINC000632578372 373765614 /nfs/dbraw/zinc/76/56/14/373765614.db2.gz UFTGQYHMCQMKPY-SNVBAGLBSA-N 1 2 266.363 -1.039 20 0 CAADLO C[N@@H+]1CCN(S(=O)(=O)N2CCCOCC2)[C@@H](CO)C1 ZINC000632576538 373765791 /nfs/dbraw/zinc/76/57/91/373765791.db2.gz TVNIVRSWEWPKFP-LLVKDONJSA-N 1 2 293.389 -1.438 20 0 CAADLO C[N@H+]1CCN(S(=O)(=O)N2CCCOCC2)[C@@H](CO)C1 ZINC000632576538 373765796 /nfs/dbraw/zinc/76/57/96/373765796.db2.gz TVNIVRSWEWPKFP-LLVKDONJSA-N 1 2 293.389 -1.438 20 0 CAADLO CNC(=O)C(=O)NC[C@]1(CO)COCC2(CCC2)[N@@H+]1C ZINC000629433737 373767645 /nfs/dbraw/zinc/76/76/45/373767645.db2.gz SXLQDSUUEHADGW-ZDUSSCGKSA-N 1 2 285.344 -1.536 20 0 CAADLO CNC(=O)C(=O)NC[C@]1(CO)COCC2(CCC2)[N@H+]1C ZINC000629433737 373767652 /nfs/dbraw/zinc/76/76/52/373767652.db2.gz SXLQDSUUEHADGW-ZDUSSCGKSA-N 1 2 285.344 -1.536 20 0 CAADLO CC[N@@H+]1CCOC[C@@H]1C(=O)N1CCO[C@H](CC(N)=O)C1 ZINC000629393522 373768352 /nfs/dbraw/zinc/76/83/52/373768352.db2.gz BLYBMAJIJASEOS-GHMZBOCLSA-N 1 2 285.344 -1.190 20 0 CAADLO CC[N@H+]1CCOC[C@@H]1C(=O)N1CCO[C@H](CC(N)=O)C1 ZINC000629393522 373768359 /nfs/dbraw/zinc/76/83/59/373768359.db2.gz BLYBMAJIJASEOS-GHMZBOCLSA-N 1 2 285.344 -1.190 20 0 CAADLO O=C1NC[C@H]2CN(c3cc(CO)cc[nH+]3)CCN2C1=O ZINC000641420705 373804042 /nfs/dbraw/zinc/80/40/42/373804042.db2.gz DOKBCSRBBFGEOT-JTQLQIEISA-N 1 2 276.296 -1.279 20 0 CAADLO C[C@H](O)CN(CCO)S(=O)(=O)CCn1cc[nH+]c1 ZINC000641500648 373806211 /nfs/dbraw/zinc/80/62/11/373806211.db2.gz UUOGVIGBDDWYJB-JTQLQIEISA-N 1 2 277.346 -1.112 20 0 CAADLO Cn1nnn(CC(=O)NCC(C)(C)[NH+]2CCOCC2)c1=O ZINC000641516984 373806575 /nfs/dbraw/zinc/80/65/75/373806575.db2.gz SMEJXMCVFQEQAX-UHFFFAOYSA-N 1 2 298.347 -1.796 20 0 CAADLO COC(=O)CC[N@@H+]1CCNC(=O)[C@@H]1CC(=O)OC ZINC000053400701 373838679 /nfs/dbraw/zinc/83/86/79/373838679.db2.gz BRVWDZITGHCSJL-QMMMGPOBSA-N 1 2 258.274 -1.087 20 0 CAADLO COC(=O)CC[N@H+]1CCNC(=O)[C@@H]1CC(=O)OC ZINC000053400701 373838690 /nfs/dbraw/zinc/83/86/90/373838690.db2.gz BRVWDZITGHCSJL-QMMMGPOBSA-N 1 2 258.274 -1.087 20 0 CAADLO CNS(=O)(=O)N1CC[NH+](C(COC)COC)CC1 ZINC000641532563 373808101 /nfs/dbraw/zinc/80/81/01/373808101.db2.gz LIITZVSKIHJNLM-UHFFFAOYSA-N 1 2 281.378 -1.270 20 0 CAADLO O=C1C[C@H](CNS(=O)(=O)CCn2cc[nH+]c2)CN1 ZINC000641531826 373808268 /nfs/dbraw/zinc/80/82/68/373808268.db2.gz DJHYUUMNVIEROU-VIFPVBQESA-N 1 2 272.330 -1.061 20 0 CAADLO NC(=O)CN1CCN(c2cc(CO)cc[nH+]2)CC1=O ZINC000641628835 373810098 /nfs/dbraw/zinc/81/00/98/373810098.db2.gz SPTRUFNQXUZALF-UHFFFAOYSA-N 1 2 264.285 -1.292 20 0 CAADLO COCC(COC)S(=O)(=O)N1CC[N@H+](C)C[C@H]1CO ZINC000641621370 373810654 /nfs/dbraw/zinc/81/06/54/373810654.db2.gz PHWJYEDDXHQLLG-JTQLQIEISA-N 1 2 296.389 -1.414 20 0 CAADLO COCC(COC)S(=O)(=O)N1CC[N@@H+](C)C[C@H]1CO ZINC000641621370 373810664 /nfs/dbraw/zinc/81/06/64/373810664.db2.gz PHWJYEDDXHQLLG-JTQLQIEISA-N 1 2 296.389 -1.414 20 0 CAADLO O=S(=O)(CCn1cc[nH+]c1)N1C[C@H](O)[C@@H](O)C1 ZINC000641627236 373810747 /nfs/dbraw/zinc/81/07/47/373810747.db2.gz SZQIWTVFFSVZET-IUCAKERBSA-N 1 2 261.303 -1.750 20 0 CAADLO C[N@@H+]1CCO[C@H](CS(=O)(=O)N2C[C@@H]3C[C@]3(O)C2)C1 ZINC000641693566 373814894 /nfs/dbraw/zinc/81/48/94/373814894.db2.gz WKUCYNSPDKFOCS-DCAQKATOSA-N 1 2 276.358 -1.287 20 0 CAADLO C[N@H+]1CCO[C@H](CS(=O)(=O)N2C[C@@H]3C[C@]3(O)C2)C1 ZINC000641693566 373814902 /nfs/dbraw/zinc/81/49/02/373814902.db2.gz WKUCYNSPDKFOCS-DCAQKATOSA-N 1 2 276.358 -1.287 20 0 CAADLO C[N@@H+]1CCO[C@H](CS(=O)(=O)N2C[C@H]3C[C@@]3(O)C2)C1 ZINC000641693568 373814991 /nfs/dbraw/zinc/81/49/91/373814991.db2.gz WKUCYNSPDKFOCS-OUAUKWLOSA-N 1 2 276.358 -1.287 20 0 CAADLO C[N@H+]1CCO[C@H](CS(=O)(=O)N2C[C@H]3C[C@@]3(O)C2)C1 ZINC000641693568 373815000 /nfs/dbraw/zinc/81/50/00/373815000.db2.gz WKUCYNSPDKFOCS-OUAUKWLOSA-N 1 2 276.358 -1.287 20 0 CAADLO CN1C(=O)C[C@@H]([N@@H+]2CCN3C(=O)OC[C@H]3C2)C1=O ZINC000493538292 373819133 /nfs/dbraw/zinc/81/91/33/373819133.db2.gz IGIWFUABONPRGH-HTQZYQBOSA-N 1 2 253.258 -1.120 20 0 CAADLO CN1C(=O)C[C@@H]([N@H+]2CCN3C(=O)OC[C@H]3C2)C1=O ZINC000493538292 373819137 /nfs/dbraw/zinc/81/91/37/373819137.db2.gz IGIWFUABONPRGH-HTQZYQBOSA-N 1 2 253.258 -1.120 20 0 CAADLO C[C@@H](NC(=O)Cn1cn[nH]c1=O)[C@H](C)[NH+]1CCOCC1 ZINC000152994849 373820043 /nfs/dbraw/zinc/82/00/43/373820043.db2.gz LMQRVARRCAFNDT-ZJUUUORDSA-N 1 2 283.332 -1.203 20 0 CAADLO CN1CC[N@H+](C)[C@H](CNC(=O)N[C@H]2C[C@H](C(N)=O)C2)C1 ZINC000623600653 373825775 /nfs/dbraw/zinc/82/57/75/373825775.db2.gz XAFDSSMLAQSHPM-GMTAPVOTSA-N 1 2 283.376 -1.205 20 0 CAADLO CN1CC[N@@H+](C)[C@H](CNC(=O)N[C@H]2C[C@H](C(N)=O)C2)C1 ZINC000623600653 373825783 /nfs/dbraw/zinc/82/57/83/373825783.db2.gz XAFDSSMLAQSHPM-GMTAPVOTSA-N 1 2 283.376 -1.205 20 0 CAADLO CN1CC[N@H+](C)[C@@H](CNC(=O)N[C@H]2C[C@H](C(N)=O)C2)C1 ZINC000623600652 373826281 /nfs/dbraw/zinc/82/62/81/373826281.db2.gz XAFDSSMLAQSHPM-DCAQKATOSA-N 1 2 283.376 -1.205 20 0 CAADLO CN1CC[N@@H+](C)[C@@H](CNC(=O)N[C@H]2C[C@H](C(N)=O)C2)C1 ZINC000623600652 373826287 /nfs/dbraw/zinc/82/62/87/373826287.db2.gz XAFDSSMLAQSHPM-DCAQKATOSA-N 1 2 283.376 -1.205 20 0 CAADLO CNC(=O)NC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCS(=O)(=O)[C@@H]2C1 ZINC000513045960 373827498 /nfs/dbraw/zinc/82/74/98/373827498.db2.gz IJZZECTZZUOFJT-HRDYMLBCSA-N 1 2 289.357 -1.051 20 0 CAADLO CNC(=O)NC(=O)[C@@H](C)[N@H+]1C[C@@H]2CCS(=O)(=O)[C@@H]2C1 ZINC000513045960 373827501 /nfs/dbraw/zinc/82/75/01/373827501.db2.gz IJZZECTZZUOFJT-HRDYMLBCSA-N 1 2 289.357 -1.051 20 0 CAADLO CN1C[C@H](NC(=O)[C@@H]2CCc3[nH+]c[nH]c3C2)C(=O)N1 ZINC000613255562 373795764 /nfs/dbraw/zinc/79/57/64/373795764.db2.gz ZLQKQGPXHOZNSB-XCBNKYQSSA-N 1 2 263.301 -1.024 20 0 CAADLO CN1C[C@H](NC(=O)[C@@H]2CCc3[nH]c[nH+]c3C2)C(=O)N1 ZINC000613255562 373795771 /nfs/dbraw/zinc/79/57/71/373795771.db2.gz ZLQKQGPXHOZNSB-XCBNKYQSSA-N 1 2 263.301 -1.024 20 0 CAADLO CN1C[C@@H](NC(=O)[C@H]2CCc3[nH+]c[nH]c3C2)C(=O)N1 ZINC000613255561 373796561 /nfs/dbraw/zinc/79/65/61/373796561.db2.gz ZLQKQGPXHOZNSB-OIBJUYFYSA-N 1 2 263.301 -1.024 20 0 CAADLO CN1C[C@@H](NC(=O)[C@H]2CCc3[nH]c[nH+]c3C2)C(=O)N1 ZINC000613255561 373796566 /nfs/dbraw/zinc/79/65/66/373796566.db2.gz ZLQKQGPXHOZNSB-OIBJUYFYSA-N 1 2 263.301 -1.024 20 0 CAADLO CN(C)C(=O)CNS(=O)(=O)CCn1cc[nH+]c1 ZINC000641258578 373800002 /nfs/dbraw/zinc/80/00/02/373800002.db2.gz SOKQLOIYPLGIHE-UHFFFAOYSA-N 1 2 260.319 -1.109 20 0 CAADLO O=C1CN(S(=O)(=O)CCn2cc[nH+]c2)CCN1 ZINC000641253611 373800516 /nfs/dbraw/zinc/80/05/16/373800516.db2.gz JAANBABJKHYLMR-UHFFFAOYSA-N 1 2 258.303 -1.355 20 0 CAADLO COC[C@@H](CS(=O)(=O)N1CC[NH+](CCO)CC1)OC ZINC000641259748 373802014 /nfs/dbraw/zinc/80/20/14/373802014.db2.gz GOROMMJJGHZUPS-NSHDSACASA-N 1 2 296.389 -1.413 20 0 CAADLO CN(C)C(=O)C[NH+]1CCN(c2cc(C(N)=O)ncn2)CC1 ZINC000641264136 373802038 /nfs/dbraw/zinc/80/20/38/373802038.db2.gz TYGHKTKOZUPGSQ-UHFFFAOYSA-N 1 2 292.343 -1.214 20 0 CAADLO O=C(N[C@H](CO)C[NH+]1CCOCC1)C1(n2cnnn2)CC1 ZINC000614414279 373878162 /nfs/dbraw/zinc/87/81/62/373878162.db2.gz VXHDOIOKQRPUQY-JTQLQIEISA-N 1 2 296.331 -2.029 20 0 CAADLO O=C(CN1CCCNC1=O)NC[C@@H]1CN2CC[N@@H+]1CCC2 ZINC000614512040 373881677 /nfs/dbraw/zinc/88/16/77/373881677.db2.gz NFFGMRILXJZXKY-GFCCVEGCSA-N 1 2 295.387 -1.092 20 0 CAADLO O=C(CN1CCCNC1=O)NC[C@@H]1CN2CC[N@H+]1CCC2 ZINC000614512040 373881682 /nfs/dbraw/zinc/88/16/82/373881682.db2.gz NFFGMRILXJZXKY-GFCCVEGCSA-N 1 2 295.387 -1.092 20 0 CAADLO C[C@H](CC(=O)NC[C@@H]1CN2CC[N@@H+]1CCC2)NC(N)=O ZINC000614514221 373882621 /nfs/dbraw/zinc/88/26/21/373882621.db2.gz KHIDGACMKYRKQD-GHMZBOCLSA-N 1 2 283.376 -1.061 20 0 CAADLO C[C@H](CC(=O)NC[C@@H]1CN2CC[N@H+]1CCC2)NC(N)=O ZINC000614514221 373882628 /nfs/dbraw/zinc/88/26/28/373882628.db2.gz KHIDGACMKYRKQD-GHMZBOCLSA-N 1 2 283.376 -1.061 20 0 CAADLO COCC(=O)N(C)CC(=O)NC[C@@H]1CN2CC[N@@H+]1CCC2 ZINC000614504723 373882702 /nfs/dbraw/zinc/88/27/02/373882702.db2.gz YZNYUVCMKGBQKC-GFCCVEGCSA-N 1 2 298.387 -1.403 20 0 CAADLO COCC(=O)N(C)CC(=O)NC[C@@H]1CN2CC[N@H+]1CCC2 ZINC000614504723 373882707 /nfs/dbraw/zinc/88/27/07/373882707.db2.gz YZNYUVCMKGBQKC-GFCCVEGCSA-N 1 2 298.387 -1.403 20 0 CAADLO CC[N@@H+]1CCOC[C@H]1C(=O)NCCn1ncnn1 ZINC000540470234 373903233 /nfs/dbraw/zinc/90/32/33/373903233.db2.gz MNRRPIHLTVJWMR-VIFPVBQESA-N 1 2 254.294 -1.490 20 0 CAADLO CC[N@H+]1CCOC[C@H]1C(=O)NCCn1ncnn1 ZINC000540470234 373903242 /nfs/dbraw/zinc/90/32/42/373903242.db2.gz MNRRPIHLTVJWMR-VIFPVBQESA-N 1 2 254.294 -1.490 20 0 CAADLO O=C(N[C@@H]1CCc2c[nH+]cn2C1)[C@@H]1CC(=O)NC(=O)N1 ZINC000614702740 373892058 /nfs/dbraw/zinc/89/20/58/373892058.db2.gz LMYBJYQJINHGHA-APPZFPTMSA-N 1 2 277.284 -1.088 20 0 CAADLO O=C(N[C@H]1CCc2c[nH+]cn2C1)[C@@H]1CC(=O)NC(=O)N1 ZINC000614702741 373892084 /nfs/dbraw/zinc/89/20/84/373892084.db2.gz LMYBJYQJINHGHA-CBAPKCEASA-N 1 2 277.284 -1.088 20 0 CAADLO C[NH+](C)C[C@H](CO)NC(=O)[C@@H]1CCCS(=O)(=O)C1 ZINC000614847198 373896374 /nfs/dbraw/zinc/89/63/74/373896374.db2.gz KKUOAXPSXWOKQN-NXEZZACHSA-N 1 2 278.374 -1.150 20 0 CAADLO C[NH+](C)C[C@@H](CO)NC(=O)[C@H]1CCCS(=O)(=O)C1 ZINC000614847204 373896879 /nfs/dbraw/zinc/89/68/79/373896879.db2.gz KKUOAXPSXWOKQN-UWVGGRQHSA-N 1 2 278.374 -1.150 20 0 CAADLO C[C@H](CS(C)(=O)=O)C(=O)N[C@H](CO)C[NH+](C)C ZINC000614847649 373896896 /nfs/dbraw/zinc/89/68/96/373896896.db2.gz MWZLYYYKYMYKNU-BDAKNGLRSA-N 1 2 266.363 -1.294 20 0 CAADLO C[NH+](C)C[C@H](CO)NC(=O)[C@H]1CCCS(=O)(=O)C1 ZINC000614847205 373896912 /nfs/dbraw/zinc/89/69/12/373896912.db2.gz KKUOAXPSXWOKQN-VHSXEESVSA-N 1 2 278.374 -1.150 20 0 CAADLO C[NH+](C)C[C@@H](CO)NC(=O)CN1CCS(=O)(=O)CC1 ZINC000614854527 373898952 /nfs/dbraw/zinc/89/89/52/373898952.db2.gz PPNJGSJNNIWWCR-JTQLQIEISA-N 1 2 293.389 -2.245 20 0 CAADLO CC(C)S(=O)(=O)CC(=O)N[C@H](CO)C[NH+](C)C ZINC000614854408 373899147 /nfs/dbraw/zinc/89/91/47/373899147.db2.gz OKDXGPIPPUOSGB-VIFPVBQESA-N 1 2 266.363 -1.152 20 0 CAADLO C[NH+](C)C[C@H](CO)NC(=O)CSc1n[nH]c(=O)[nH]1 ZINC000614851608 373899184 /nfs/dbraw/zinc/89/91/84/373899184.db2.gz JEQXNUXIWHRNTO-ZCFIWIBFSA-N 1 2 275.334 -1.359 20 0 CAADLO C[NH+](C)C[C@H](CO)NC(=O)[C@@H]1CCCS1(=O)=O ZINC000614858889 373900338 /nfs/dbraw/zinc/90/03/38/373900338.db2.gz LYKJVWYZYJQPRX-BDAKNGLRSA-N 1 2 264.347 -1.398 20 0 CAADLO Cc1nn(CC(=O)NC[C@H]2COCC[N@H+]2C)c(=O)o1 ZINC000630087607 373843606 /nfs/dbraw/zinc/84/36/06/373843606.db2.gz DPNQLJYNFQYIDK-VIFPVBQESA-N 1 2 270.289 -1.408 20 0 CAADLO Cc1nn(CC(=O)NC[C@H]2COCC[N@@H+]2C)c(=O)o1 ZINC000630087607 373843612 /nfs/dbraw/zinc/84/36/12/373843612.db2.gz DPNQLJYNFQYIDK-VIFPVBQESA-N 1 2 270.289 -1.408 20 0 CAADLO C[N@@H+]1CCOC[C@H]1CNC(=O)[C@]1(C)CCNC1=O ZINC000630092402 373853960 /nfs/dbraw/zinc/85/39/60/373853960.db2.gz XBXARDSANVMVCW-BXKDBHETSA-N 1 2 255.318 -1.041 20 0 CAADLO C[N@H+]1CCOC[C@H]1CNC(=O)[C@]1(C)CCNC1=O ZINC000630092402 373853969 /nfs/dbraw/zinc/85/39/69/373853969.db2.gz XBXARDSANVMVCW-BXKDBHETSA-N 1 2 255.318 -1.041 20 0 CAADLO C[N@@H+]1CCOC[C@H]1CNC(=O)[C@@]1(C)CCNC1=O ZINC000630092410 373854356 /nfs/dbraw/zinc/85/43/56/373854356.db2.gz XBXARDSANVMVCW-SKDRFNHKSA-N 1 2 255.318 -1.041 20 0 CAADLO C[N@H+]1CCOC[C@H]1CNC(=O)[C@@]1(C)CCNC1=O ZINC000630092410 373854362 /nfs/dbraw/zinc/85/43/62/373854362.db2.gz XBXARDSANVMVCW-SKDRFNHKSA-N 1 2 255.318 -1.041 20 0 CAADLO C[NH+](C)C[C@H](CO)NC(=O)CS(=O)(=O)C1CC1 ZINC000614856771 373901601 /nfs/dbraw/zinc/90/16/01/373901601.db2.gz BMVHQVOLQDMQLC-MRVPVSSYSA-N 1 2 264.347 -1.398 20 0 CAADLO C[C@@H]1CN(C(=O)c2nc3n(n2)CCCN3)CC[N@@H+]1CCO ZINC000613693568 373860303 /nfs/dbraw/zinc/86/03/03/373860303.db2.gz FYPDHIVFPVPJJL-SNVBAGLBSA-N 1 2 294.359 -1.510 20 0 CAADLO C[C@@H]1CN(C(=O)c2nc3n(n2)CCCN3)CC[N@H+]1CCO ZINC000613693568 373860311 /nfs/dbraw/zinc/86/03/11/373860311.db2.gz FYPDHIVFPVPJJL-SNVBAGLBSA-N 1 2 294.359 -1.510 20 0 CAADLO O=C(NCC1([NH+]2CCOCC2)CC1)[C@H]1CC(=O)N1 ZINC000614029584 373867035 /nfs/dbraw/zinc/86/70/35/373867035.db2.gz WZFYQPYUVHKLDK-SECBINFHSA-N 1 2 253.302 -1.144 20 0 CAADLO Cn1nncc1C(=O)N[C@@H](CO)Cc1c[nH]c[nH+]1 ZINC001193138029 781963676 /nfs/dbraw/zinc/96/36/76/781963676.db2.gz XLLSDUBCSHHTSO-MRVPVSSYSA-N 1 2 250.262 -1.128 20 0 CAADLO CC[C@H](C(=O)NC[C@@H](O)C(N)=O)[N@@H+]1CCO[C@H](CC)C1 ZINC000614077918 373870485 /nfs/dbraw/zinc/87/04/85/373870485.db2.gz VGRCYIKXNGZFJF-GMTAPVOTSA-N 1 2 287.360 -1.162 20 0 CAADLO CC[C@H](C(=O)NC[C@@H](O)C(N)=O)[N@H+]1CCO[C@H](CC)C1 ZINC000614077918 373870490 /nfs/dbraw/zinc/87/04/90/373870490.db2.gz VGRCYIKXNGZFJF-GMTAPVOTSA-N 1 2 287.360 -1.162 20 0 CAADLO COCCN(CCO)S(=O)(=O)C[C@@H]1C[N@H+](C)CCO1 ZINC000632006878 373870599 /nfs/dbraw/zinc/87/05/99/373870599.db2.gz RFCSDUXANZTXRX-NSHDSACASA-N 1 2 296.389 -1.413 20 0 CAADLO COCCN(CCO)S(=O)(=O)C[C@@H]1C[N@@H+](C)CCO1 ZINC000632006878 373870602 /nfs/dbraw/zinc/87/06/02/373870602.db2.gz RFCSDUXANZTXRX-NSHDSACASA-N 1 2 296.389 -1.413 20 0 CAADLO O=C(N[C@@H](CO)C[NH+]1CCOCC1)[C@@]1(O)CCOC1 ZINC000614412140 373875690 /nfs/dbraw/zinc/87/56/90/373875690.db2.gz HRCQMAQHCUWTSE-ZYHUDNBSSA-N 1 2 274.317 -2.053 20 0 CAADLO Cn1nncc1C(=O)N[C@@H](CO)Cc1c[nH+]c[nH]1 ZINC001193138029 781963688 /nfs/dbraw/zinc/96/36/88/781963688.db2.gz XLLSDUBCSHHTSO-MRVPVSSYSA-N 1 2 250.262 -1.128 20 0 CAADLO O=C(N[C@H](CO)C[NH+]1CCOCC1)[C@]1(O)CCSC1 ZINC000614409557 373875720 /nfs/dbraw/zinc/87/57/20/373875720.db2.gz HIWSMTYEWLBROS-JQWIXIFHSA-N 1 2 290.385 -1.336 20 0 CAADLO O=C(N[C@@H](CO)C[NH+]1CCOCC1)[C@]1(O)CCSC1 ZINC000614409558 373875853 /nfs/dbraw/zinc/87/58/53/373875853.db2.gz HIWSMTYEWLBROS-PWSUYJOCSA-N 1 2 290.385 -1.336 20 0 CAADLO O=C(Cn1cc[nH+]c1)N[C@@H](CO)CN1CCOCC1 ZINC000614409579 373875943 /nfs/dbraw/zinc/87/59/43/373875943.db2.gz IDNXUBXOXSEMRX-LLVKDONJSA-N 1 2 268.317 -1.308 20 0 CAADLO CC(=O)NC(C)(C)C(=O)N[C@H](CO)C[NH+]1CCOCC1 ZINC000614410181 373876063 /nfs/dbraw/zinc/87/60/63/373876063.db2.gz PPBIALBUWDSQJI-NSHDSACASA-N 1 2 287.360 -1.290 20 0 CAADLO CN1C[C@@H](C(=O)N[C@@H](CO)C[NH+]2CCOCC2)NC1=O ZINC000614412178 373876308 /nfs/dbraw/zinc/87/63/08/373876308.db2.gz IDCGHWJCZHITNQ-ZJUUUORDSA-N 1 2 286.332 -2.181 20 0 CAADLO C[C@@](O)(C(=O)N[C@@H](CO)C[NH+]1CCOCC1)C1CC1 ZINC000614412577 373876388 /nfs/dbraw/zinc/87/63/88/373876388.db2.gz LRBZYGADXLMGMW-YPMHNXCESA-N 1 2 272.345 -1.043 20 0 CAADLO COC[C@](C)(O)C(=O)N[C@H](CO)C[NH+]1CCOCC1 ZINC000614409394 373876453 /nfs/dbraw/zinc/87/64/53/373876453.db2.gz FUZOBDFPBNFHIT-JQWIXIFHSA-N 1 2 276.333 -1.807 20 0 CAADLO C[C@H](CC(=O)N[C@H](CO)C[NH+]1CCOCC1)NC(N)=O ZINC000614414061 373876466 /nfs/dbraw/zinc/87/64/66/373876466.db2.gz SQKYPODOFUPGIK-ZJUUUORDSA-N 1 2 288.348 -1.757 20 0 CAADLO CC[C@@H](O)CC(=O)N[C@@H](CO)C[NH+]1CCOCC1 ZINC000614414062 373876502 /nfs/dbraw/zinc/87/65/02/373876502.db2.gz SQUIDDGIKMOAFO-GHMZBOCLSA-N 1 2 260.334 -1.043 20 0 CAADLO CC(C)[C@H](O)C(=O)N[C@@H](CO)C[NH+]1CCOCC1 ZINC000614412545 373876562 /nfs/dbraw/zinc/87/65/62/373876562.db2.gz LCAJACSFOGYPSO-MNOVXSKESA-N 1 2 260.334 -1.187 20 0 CAADLO O=C(CN1CC[NH2+]CC1=O)NCCn1ncnn1 ZINC000566196935 373943160 /nfs/dbraw/zinc/94/31/60/373943160.db2.gz YVGHZHKMGCTMKA-UHFFFAOYSA-N 1 2 253.266 -2.779 20 0 CAADLO C[C@@H]1[C@@H](C)[S@@](=O)CCN1C(=O)CN1CC[NH2+]CC1=O ZINC000566197120 373944434 /nfs/dbraw/zinc/94/44/34/373944434.db2.gz JUCVYPYXSJINBU-HQVAUKCESA-N 1 2 287.385 -1.214 20 0 CAADLO C[C@@H]1[C@@H](C)[S@](=O)CCN1C(=O)CN1CC[NH2+]CC1=O ZINC000566197123 373944808 /nfs/dbraw/zinc/94/48/08/373944808.db2.gz JUCVYPYXSJINBU-QVMDTKBZSA-N 1 2 287.385 -1.214 20 0 CAADLO C[C@@H]1[C@H](C)[S@@](=O)CCN1C(=O)CN1CC[NH2+]CC1=O ZINC000566197121 373944892 /nfs/dbraw/zinc/94/48/92/373944892.db2.gz JUCVYPYXSJINBU-QGRDJGHBSA-N 1 2 287.385 -1.214 20 0 CAADLO C[C@H]1CN(CCNC(=O)CN2CC[NH2+]CC2=O)CCO1 ZINC000566286758 373945798 /nfs/dbraw/zinc/94/57/98/373945798.db2.gz UAIZDRXHWSRFNA-NSHDSACASA-N 1 2 284.360 -1.745 20 0 CAADLO C[C@@H]1CN(CCNC(=O)CN2CC[NH2+]CC2=O)CCO1 ZINC000566286756 373946591 /nfs/dbraw/zinc/94/65/91/373946591.db2.gz UAIZDRXHWSRFNA-LLVKDONJSA-N 1 2 284.360 -1.745 20 0 CAADLO O=C(CN1CC[NH2+]CC1=O)NCCOC[C@@H]1CCCO1 ZINC000568083301 373964774 /nfs/dbraw/zinc/96/47/74/373964774.db2.gz BUDSAGPXSOAYKT-NSHDSACASA-N 1 2 285.344 -1.270 20 0 CAADLO C[C@@H]1C(=O)NCCN1C(=O)C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000567124774 373953639 /nfs/dbraw/zinc/95/36/39/373953639.db2.gz RUQDNNJHHQHQRX-MRVPVSSYSA-N 1 2 279.300 -1.285 20 0 CAADLO C[C@@H]1C(=O)NCCN1C(=O)C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000567124774 373953646 /nfs/dbraw/zinc/95/36/46/373953646.db2.gz RUQDNNJHHQHQRX-MRVPVSSYSA-N 1 2 279.300 -1.285 20 0 CAADLO NC(=O)[C@@H]1CC[C@H]1C(=O)N1CC[NH+](CCO)CC1 ZINC000566981728 373953849 /nfs/dbraw/zinc/95/38/49/373953849.db2.gz OHTKKPGZQBIPJL-NXEZZACHSA-N 1 2 255.318 -1.366 20 0 CAADLO Cn1ccc(CC(=O)NCCC[N@@H+]2CCNC(=O)C2)n1 ZINC000567017763 373953958 /nfs/dbraw/zinc/95/39/58/373953958.db2.gz GDDBCQXZHIQUDH-UHFFFAOYSA-N 1 2 279.344 -1.099 20 0 CAADLO Cn1ccc(CC(=O)NCCC[N@H+]2CCNC(=O)C2)n1 ZINC000567017763 373953968 /nfs/dbraw/zinc/95/39/68/373953968.db2.gz GDDBCQXZHIQUDH-UHFFFAOYSA-N 1 2 279.344 -1.099 20 0 CAADLO O=C([C@@H]1CCc2nnnn2CC1)N1CC[NH+](CCO)CC1 ZINC000567617552 373958339 /nfs/dbraw/zinc/95/83/39/373958339.db2.gz NWKPAAFZALEWCJ-LLVKDONJSA-N 1 2 294.359 -1.238 20 0 CAADLO COC[C@H](C)S(=O)(=O)N1CC[NH+](CCO)CC1 ZINC000156212367 373960075 /nfs/dbraw/zinc/96/00/75/373960075.db2.gz RFACIOLTJMXKKI-JTQLQIEISA-N 1 2 266.363 -1.039 20 0 CAADLO Cc1nc(=NC(=O)CN2CC[NH2+]CC2=O)s[nH]1 ZINC000567806378 373961442 /nfs/dbraw/zinc/96/14/42/373961442.db2.gz CWAKQRUVYOMHJO-UHFFFAOYSA-N 1 2 255.303 -1.361 20 0 CAADLO CC[N@@H+]1CCOC[C@H]1C(=O)NCCN1CCNC(=O)C1 ZINC000541902202 373906384 /nfs/dbraw/zinc/90/63/84/373906384.db2.gz IYBOYBSHXGKHEC-NSHDSACASA-N 1 2 284.360 -1.745 20 0 CAADLO CC[N@H+]1CCOC[C@H]1C(=O)NCCN1CCNC(=O)C1 ZINC000541902202 373906392 /nfs/dbraw/zinc/90/63/92/373906392.db2.gz IYBOYBSHXGKHEC-NSHDSACASA-N 1 2 284.360 -1.745 20 0 CAADLO COC[C@@H](NC(=O)CN1CC[NH2+]CC1=O)C(=O)OC ZINC000567814880 373962532 /nfs/dbraw/zinc/96/25/32/373962532.db2.gz IFZGRELQUOEUEQ-MRVPVSSYSA-N 1 2 273.289 -2.278 20 0 CAADLO C[C@@H]1C[N@H+](CCNC(=O)CS(=O)(=O)N(C)C)CCO1 ZINC000543282302 373913187 /nfs/dbraw/zinc/91/31/87/373913187.db2.gz CGSQJYKLQQEWGH-SNVBAGLBSA-N 1 2 293.389 -1.285 20 0 CAADLO C[C@@H]1C[N@@H+](CCNC(=O)CS(=O)(=O)N(C)C)CCO1 ZINC000543282302 373913191 /nfs/dbraw/zinc/91/31/91/373913191.db2.gz CGSQJYKLQQEWGH-SNVBAGLBSA-N 1 2 293.389 -1.285 20 0 CAADLO NC(=O)CCNS(=O)(=O)CCC[NH+]1CCOCC1 ZINC000545913250 373914322 /nfs/dbraw/zinc/91/43/22/373914322.db2.gz BTQUICCCGJMTIQ-UHFFFAOYSA-N 1 2 279.362 -1.497 20 0 CAADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@@H]1CCCNC1=O ZINC000631677604 373917222 /nfs/dbraw/zinc/91/72/22/373917222.db2.gz BTSJHKFDTIGYHO-NWDGAFQWSA-N 1 2 299.371 -1.336 20 0 CAADLO CCNC(=O)CNS(=O)(=O)C[C@H]1C[N@H+](C)CCO1 ZINC000631676521 373917652 /nfs/dbraw/zinc/91/76/52/373917652.db2.gz YZUHWLVGWAOSQG-SECBINFHSA-N 1 2 279.362 -1.628 20 0 CAADLO CCNC(=O)CNS(=O)(=O)C[C@H]1C[N@@H+](C)CCO1 ZINC000631676521 373917662 /nfs/dbraw/zinc/91/76/62/373917662.db2.gz YZUHWLVGWAOSQG-SECBINFHSA-N 1 2 279.362 -1.628 20 0 CAADLO C[NH+](C)CC(=O)N1CCN(C(=O)Cc2ncn[nH]2)CC1 ZINC000630720788 373919421 /nfs/dbraw/zinc/91/94/21/373919421.db2.gz YZJRZNJVAFUXDU-UHFFFAOYSA-N 1 2 280.332 -1.420 20 0 CAADLO O=C(N1CC[NH+](CCO)CC1)C1(N2CCOCC2)CC1 ZINC000630708869 373920354 /nfs/dbraw/zinc/92/03/54/373920354.db2.gz HJZRTOAFPMHXMZ-UHFFFAOYSA-N 1 2 283.372 -1.012 20 0 CAADLO CC[N@@H+]1CCOC[C@@H]1C(=O)N1CC[C@@H](CO)[C@@H](O)C1 ZINC000555291433 373926722 /nfs/dbraw/zinc/92/67/22/373926722.db2.gz MJLUEPBWJPJSEZ-TUAOUCFPSA-N 1 2 272.345 -1.091 20 0 CAADLO CC[N@H+]1CCOC[C@@H]1C(=O)N1CC[C@@H](CO)[C@@H](O)C1 ZINC000555291433 373926728 /nfs/dbraw/zinc/92/67/28/373926728.db2.gz MJLUEPBWJPJSEZ-TUAOUCFPSA-N 1 2 272.345 -1.091 20 0 CAADLO CC[N@@H+]1CCOC[C@@H]1C(=O)N1CC[C@H](CO)[C@@H](O)C1 ZINC000555291434 373926913 /nfs/dbraw/zinc/92/69/13/373926913.db2.gz MJLUEPBWJPJSEZ-UTUOFQBUSA-N 1 2 272.345 -1.091 20 0 CAADLO CC[N@H+]1CCOC[C@@H]1C(=O)N1CC[C@H](CO)[C@@H](O)C1 ZINC000555291434 373926919 /nfs/dbraw/zinc/92/69/19/373926919.db2.gz MJLUEPBWJPJSEZ-UTUOFQBUSA-N 1 2 272.345 -1.091 20 0 CAADLO CC[N@@H+]1CCOC[C@@H]1C(=O)N1CC[C@H](CO)[C@H](O)C1 ZINC000555291431 373926949 /nfs/dbraw/zinc/92/69/49/373926949.db2.gz MJLUEPBWJPJSEZ-IJLUTSLNSA-N 1 2 272.345 -1.091 20 0 CAADLO CC[N@H+]1CCOC[C@@H]1C(=O)N1CC[C@H](CO)[C@H](O)C1 ZINC000555291431 373926954 /nfs/dbraw/zinc/92/69/54/373926954.db2.gz MJLUEPBWJPJSEZ-IJLUTSLNSA-N 1 2 272.345 -1.091 20 0 CAADLO CC[C@H]1C[N@H+](CCNC(=O)CN2CC(=O)NC2=O)CCO1 ZINC000555323401 373927442 /nfs/dbraw/zinc/92/74/42/373927442.db2.gz QWERPPBKYVARAR-JTQLQIEISA-N 1 2 298.343 -1.235 20 0 CAADLO CC[C@H]1C[N@@H+](CCNC(=O)CN2CC(=O)NC2=O)CCO1 ZINC000555323401 373927447 /nfs/dbraw/zinc/92/74/47/373927447.db2.gz QWERPPBKYVARAR-JTQLQIEISA-N 1 2 298.343 -1.235 20 0 CAADLO COCC[NH+]1CCN(C(=O)C(=O)NCc2cc[nH]n2)CC1 ZINC000555568856 373930168 /nfs/dbraw/zinc/93/01/68/373930168.db2.gz WIGRAPKGBVJFOS-UHFFFAOYSA-N 1 2 295.343 -1.184 20 0 CAADLO Cn1c([O-])ncc(C(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])c1=O ZINC000568085369 373963673 /nfs/dbraw/zinc/96/36/73/373963673.db2.gz GQAZKGLZBMAVJJ-MRVPVSSYSA-N 1 2 281.316 -1.799 20 0 CAADLO CN(C)[C@@H](C(=O)N1CC(=O)N(C)C(=O)C1)c1c[nH+]cn1C ZINC000565202853 373935607 /nfs/dbraw/zinc/93/56/07/373935607.db2.gz DAILCTKIJYNYQM-GFCCVEGCSA-N 1 2 293.327 -1.150 20 0 CAADLO Cn1c([O-])ncc(C(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])c1=O ZINC000568085369 373963677 /nfs/dbraw/zinc/96/36/77/373963677.db2.gz GQAZKGLZBMAVJJ-MRVPVSSYSA-N 1 2 281.316 -1.799 20 0 CAADLO C[C@@H](C[S@@](C)=O)N(C)C(=O)CN1CC[NH2+]CC1=O ZINC000565891362 373940872 /nfs/dbraw/zinc/94/08/72/373940872.db2.gz BGYDPDVDPRHPNB-NIVTXAMTSA-N 1 2 275.374 -1.356 20 0 CAADLO CC[C@H](C(=O)N[C@@H]1CS(=O)(=O)C[C@H]1O)[NH+](C)C ZINC000565901494 373941023 /nfs/dbraw/zinc/94/10/23/373941023.db2.gz QDIVHTFGLBLWPF-IWSPIJDZSA-N 1 2 264.347 -1.399 20 0 CAADLO COCC[NH+](CCOC)CC(=O)N1CCNC(=O)C1 ZINC000029638381 374022783 /nfs/dbraw/zinc/02/27/83/374022783.db2.gz HHCHSPSRAANBTC-UHFFFAOYSA-N 1 2 273.333 -1.460 20 0 CAADLO COC(=O)[C@@](C)(O)C[N@@H+]1CCSC[C@@H]1C(N)=O ZINC000579034329 373998312 /nfs/dbraw/zinc/99/83/12/373998312.db2.gz FWAHMDYDNPGDNQ-XCBNKYQSSA-N 1 2 262.331 -1.187 20 0 CAADLO COC(=O)[C@@](C)(O)C[N@H+]1CCSC[C@@H]1C(N)=O ZINC000579034329 373998319 /nfs/dbraw/zinc/99/83/19/373998319.db2.gz FWAHMDYDNPGDNQ-XCBNKYQSSA-N 1 2 262.331 -1.187 20 0 CAADLO C[C@H]1C[N@H+](CCOCCO)CCN1S(C)(=O)=O ZINC000181584181 374000101 /nfs/dbraw/zinc/00/01/01/374000101.db2.gz WCDBZRCQQUKXHS-JTQLQIEISA-N 1 2 266.363 -1.039 20 0 CAADLO C[C@H]1C[N@@H+](CCOCCO)CCN1S(C)(=O)=O ZINC000181584181 374000113 /nfs/dbraw/zinc/00/01/13/374000113.db2.gz WCDBZRCQQUKXHS-JTQLQIEISA-N 1 2 266.363 -1.039 20 0 CAADLO CC(C)(C)N1CC[C@H](NC(=O)CN2CC[NH2+]CC2=O)C1=O ZINC000579357007 374001030 /nfs/dbraw/zinc/00/10/30/374001030.db2.gz RNMLHHXRUNQWSX-JTQLQIEISA-N 1 2 296.371 -1.066 20 0 CAADLO CC(C)(C)N1CC[C@@H](NC(=O)CN2CC[NH2+]CC2=O)C1=O ZINC000579357008 374001451 /nfs/dbraw/zinc/00/14/51/374001451.db2.gz RNMLHHXRUNQWSX-SNVBAGLBSA-N 1 2 296.371 -1.066 20 0 CAADLO CS(=O)(=O)N[C@H]1CC[N@@H+]([C@@H]2CC(=O)NC2=O)C1 ZINC000579848991 374005274 /nfs/dbraw/zinc/00/52/74/374005274.db2.gz DBGMYBGNNYWCNS-NKWVEPMBSA-N 1 2 261.303 -1.975 20 0 CAADLO CS(=O)(=O)N[C@H]1CC[N@H+]([C@@H]2CC(=O)NC2=O)C1 ZINC000579848991 374005275 /nfs/dbraw/zinc/00/52/75/374005275.db2.gz DBGMYBGNNYWCNS-NKWVEPMBSA-N 1 2 261.303 -1.975 20 0 CAADLO CS(=O)(=O)N[C@H]1CC[N@@H+]([C@H]2CC(=O)NC2=O)C1 ZINC000579848990 374005651 /nfs/dbraw/zinc/00/56/51/374005651.db2.gz DBGMYBGNNYWCNS-BQBZGAKWSA-N 1 2 261.303 -1.975 20 0 CAADLO CS(=O)(=O)N[C@H]1CC[N@H+]([C@H]2CC(=O)NC2=O)C1 ZINC000579848990 374005655 /nfs/dbraw/zinc/00/56/55/374005655.db2.gz DBGMYBGNNYWCNS-BQBZGAKWSA-N 1 2 261.303 -1.975 20 0 CAADLO Cn1ccc(S(=O)(=O)NC[C@H]2C[N@H+](C)CCN2C)n1 ZINC000579827315 374006491 /nfs/dbraw/zinc/00/64/91/374006491.db2.gz GBPRXKOOTLNDMW-JTQLQIEISA-N 1 2 287.389 -1.056 20 0 CAADLO Cn1ccc(S(=O)(=O)NC[C@H]2C[N@@H+](C)CCN2C)n1 ZINC000579827315 374006496 /nfs/dbraw/zinc/00/64/96/374006496.db2.gz GBPRXKOOTLNDMW-JTQLQIEISA-N 1 2 287.389 -1.056 20 0 CAADLO COc1ccc(N2C(=O)C[C@H]([NH2+]CC(N)=O)C2=O)cn1 ZINC000580782181 374007999 /nfs/dbraw/zinc/00/79/99/374007999.db2.gz XRTFPDQULVOLJI-QMMMGPOBSA-N 1 2 278.268 -1.203 20 0 CAADLO COCC[N@H+](C)CCNC(=O)C1CS(=O)(=O)C1 ZINC000630896512 374009893 /nfs/dbraw/zinc/00/98/93/374009893.db2.gz UEAPGFZJEZPWKQ-UHFFFAOYSA-N 1 2 264.347 -1.275 20 0 CAADLO COCC[N@@H+](C)CCNC(=O)C1CS(=O)(=O)C1 ZINC000630896512 374009897 /nfs/dbraw/zinc/00/98/97/374009897.db2.gz UEAPGFZJEZPWKQ-UHFFFAOYSA-N 1 2 264.347 -1.275 20 0 CAADLO CN(C)[C@@H](C(=O)N1CC(O)(CO)C1)c1c[nH+]cn1C ZINC000615434236 374013815 /nfs/dbraw/zinc/01/38/15/374013815.db2.gz RMHSMSIKESWUCG-SNVBAGLBSA-N 1 2 268.317 -1.412 20 0 CAADLO COC(=O)CNC(=O)C[N@H+](C)CC(=O)NC1CC1 ZINC000016352719 374015568 /nfs/dbraw/zinc/01/55/68/374015568.db2.gz WIJIABCOTNOGKV-UHFFFAOYSA-N 1 2 257.290 -1.514 20 0 CAADLO COC(=O)CNC(=O)C[N@@H+](C)CC(=O)NC1CC1 ZINC000016352719 374015574 /nfs/dbraw/zinc/01/55/74/374015574.db2.gz WIJIABCOTNOGKV-UHFFFAOYSA-N 1 2 257.290 -1.514 20 0 CAADLO C[C@H](O)C[NH+]1CCN(C(=O)Cc2ncn[nH]2)CC1 ZINC000630944381 374017021 /nfs/dbraw/zinc/01/70/21/374017021.db2.gz YOVKHUWMVOLXFX-VIFPVBQESA-N 1 2 253.306 -1.128 20 0 CAADLO COCCNC(=O)C[NH+]1CCN([C@@H](C)C(=O)OC)CC1 ZINC000022807446 374017076 /nfs/dbraw/zinc/01/70/76/374017076.db2.gz HGXSUBVSUJUUMU-NSHDSACASA-N 1 2 287.360 -1.072 20 0 CAADLO COCCNC(=O)C[NH+]1CCN([C@H](C)C(=O)OC)CC1 ZINC000022807452 374017668 /nfs/dbraw/zinc/01/76/68/374017668.db2.gz HGXSUBVSUJUUMU-LLVKDONJSA-N 1 2 287.360 -1.072 20 0 CAADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)CCc1nn[nH]n1 ZINC000630926852 374017716 /nfs/dbraw/zinc/01/77/16/374017716.db2.gz BYKITOUZICSKBQ-SECBINFHSA-N 1 2 268.321 -1.031 20 0 CAADLO C[C@@H]1COCC[N@H+]1CCNC(=O)CCc1nn[nH]n1 ZINC000630926852 374017721 /nfs/dbraw/zinc/01/77/21/374017721.db2.gz BYKITOUZICSKBQ-SECBINFHSA-N 1 2 268.321 -1.031 20 0 CAADLO C[C@@H](O)C[NH+]1CCN(C(=O)Cc2ncn[nH]2)CC1 ZINC000630944373 374017906 /nfs/dbraw/zinc/01/79/06/374017906.db2.gz YOVKHUWMVOLXFX-SECBINFHSA-N 1 2 253.306 -1.128 20 0 CAADLO CC(C)(O)C[NH+]1CCN(C(=O)C2CS(=O)(=O)C2)CC1 ZINC000630946564 374019558 /nfs/dbraw/zinc/01/95/58/374019558.db2.gz YHHZCKRKKQJURR-UHFFFAOYSA-N 1 2 290.385 -1.054 20 0 CAADLO COc1c(N)[nH+]cnc1N1CC[C@H](S(N)(=O)=O)C1 ZINC000568242481 373966904 /nfs/dbraw/zinc/96/69/04/373966904.db2.gz KICVDCKZCUVNOS-LURJTMIESA-N 1 2 273.318 -1.065 20 0 CAADLO COc1c(N)nc[nH+]c1N1CC[C@H](S(N)(=O)=O)C1 ZINC000568242481 373966908 /nfs/dbraw/zinc/96/69/08/373966908.db2.gz KICVDCKZCUVNOS-LURJTMIESA-N 1 2 273.318 -1.065 20 0 CAADLO COc1c(N)[nH+]cnc1N1CCN(CC(N)=O)CC1 ZINC000568242675 373967937 /nfs/dbraw/zinc/96/79/37/373967937.db2.gz RVEWNFFPVPQXRN-UHFFFAOYSA-N 1 2 266.305 -1.325 20 0 CAADLO CN(Cc1c[nH+]c[nH]1)C(=O)C(=O)N1CCN(C)C(=O)C1 ZINC000568281036 373969463 /nfs/dbraw/zinc/96/94/63/373969463.db2.gz VTXPAUSIOLMPQJ-UHFFFAOYSA-N 1 2 279.300 -1.331 20 0 CAADLO CN(Cc1c[nH]c[nH+]1)C(=O)C(=O)N1CCN(C)C(=O)C1 ZINC000568281036 373969471 /nfs/dbraw/zinc/96/94/71/373969471.db2.gz VTXPAUSIOLMPQJ-UHFFFAOYSA-N 1 2 279.300 -1.331 20 0 CAADLO CC(C)NC(=O)NCC[N@@H+]1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC000568387780 373969626 /nfs/dbraw/zinc/96/96/26/373969626.db2.gz PWTJEZZLDKUPQO-SNVBAGLBSA-N 1 2 297.359 -1.663 20 0 CAADLO CC(C)NC(=O)NCC[N@H+]1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC000568387780 373969639 /nfs/dbraw/zinc/96/96/39/373969639.db2.gz PWTJEZZLDKUPQO-SNVBAGLBSA-N 1 2 297.359 -1.663 20 0 CAADLO CC(C)NC(=O)NCC[N@@H+]1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC000568387779 373970082 /nfs/dbraw/zinc/97/00/82/373970082.db2.gz PWTJEZZLDKUPQO-JTQLQIEISA-N 1 2 297.359 -1.663 20 0 CAADLO CC(C)NC(=O)NCC[N@H+]1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC000568387779 373970087 /nfs/dbraw/zinc/97/00/87/373970087.db2.gz PWTJEZZLDKUPQO-JTQLQIEISA-N 1 2 297.359 -1.663 20 0 CAADLO CCNS(=O)(=O)[C@@H]1CC[N@@H+]([C@@H]2CC(=O)NC2=O)C1 ZINC000568409078 373970267 /nfs/dbraw/zinc/97/02/67/373970267.db2.gz XWIOEUBPGQPMIY-HTQZYQBOSA-N 1 2 275.330 -1.585 20 0 CAADLO CCNS(=O)(=O)[C@@H]1CC[N@H+]([C@@H]2CC(=O)NC2=O)C1 ZINC000568409078 373970274 /nfs/dbraw/zinc/97/02/74/373970274.db2.gz XWIOEUBPGQPMIY-HTQZYQBOSA-N 1 2 275.330 -1.585 20 0 CAADLO O=C(Cn1cnnn1)N1CCC[C@H]([NH+]2CCOCC2)C1 ZINC000615557884 374021457 /nfs/dbraw/zinc/02/14/57/374021457.db2.gz VIGIEJHJRNMHJD-NSHDSACASA-N 1 2 280.332 -1.004 20 0 CAADLO NC(=O)CN1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC000572777644 373977615 /nfs/dbraw/zinc/97/76/15/373977615.db2.gz VANWHKSWNZYJDF-UHFFFAOYSA-N 1 2 251.290 -1.487 20 0 CAADLO COC(=O)C[C@@H]1C(=O)NCCN1C(=O)Cn1cc[nH+]c1 ZINC000573177435 373979158 /nfs/dbraw/zinc/97/91/58/373979158.db2.gz RTRSQVNFCMLTJQ-SECBINFHSA-N 1 2 280.284 -1.227 20 0 CAADLO CC1(CS(=O)(=O)NC[C@H]2C[NH+]3CCN2CC3)COC1 ZINC000573056695 373979632 /nfs/dbraw/zinc/97/96/32/373979632.db2.gz ODJPDQHUBVWQAI-NSHDSACASA-N 1 2 289.401 -1.058 20 0 CAADLO C[C@](O)(CNS(=O)(=O)N1CCC1)C[NH+]1CCOCC1 ZINC000573630926 373981971 /nfs/dbraw/zinc/98/19/71/373981971.db2.gz GAKGQNCBFMWYKH-NSHDSACASA-N 1 2 293.389 -1.390 20 0 CAADLO CN(C)c1noc(CNC[C@H](O)C[NH+]2CCOCC2)n1 ZINC000573835369 373985039 /nfs/dbraw/zinc/98/50/39/373985039.db2.gz ZDFVCYQYKNSFAZ-JTQLQIEISA-N 1 2 285.348 -1.082 20 0 CAADLO CN(C)c1noc(C[NH2+]C[C@H](O)CN2CCOCC2)n1 ZINC000573835369 373985052 /nfs/dbraw/zinc/98/50/52/373985052.db2.gz ZDFVCYQYKNSFAZ-JTQLQIEISA-N 1 2 285.348 -1.082 20 0 CAADLO CN(Cc1c[nH+]c[nH]1)C(=O)C(=O)N1CCNC(=O)C1 ZINC000577964299 373988775 /nfs/dbraw/zinc/98/87/75/373988775.db2.gz GGKCEYDIWVRVQT-UHFFFAOYSA-N 1 2 265.273 -1.674 20 0 CAADLO CN(Cc1c[nH]c[nH+]1)C(=O)C(=O)N1CCNC(=O)C1 ZINC000577964299 373988778 /nfs/dbraw/zinc/98/87/78/373988778.db2.gz GGKCEYDIWVRVQT-UHFFFAOYSA-N 1 2 265.273 -1.674 20 0 CAADLO CC(C)[N@H+](C)CC(=O)N[C@@H]1CS(=O)(=O)C[C@H]1O ZINC000578452897 373993621 /nfs/dbraw/zinc/99/36/21/373993621.db2.gz XYDHYDLWHXOARL-RKDXNWHRSA-N 1 2 264.347 -1.399 20 0 CAADLO CC(C)[N@@H+](C)CC(=O)N[C@@H]1CS(=O)(=O)C[C@H]1O ZINC000578452897 373993623 /nfs/dbraw/zinc/99/36/23/373993623.db2.gz XYDHYDLWHXOARL-RKDXNWHRSA-N 1 2 264.347 -1.399 20 0 CAADLO COCC(=O)NC1CN(C(=O)[C@H](C)[NH+]2CCOCC2)C1 ZINC000578641967 373993744 /nfs/dbraw/zinc/99/37/44/373993744.db2.gz QBMACAHSLARCTB-JTQLQIEISA-N 1 2 285.344 -1.320 20 0 CAADLO O=C([C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CCOC1 ZINC000615759368 374025623 /nfs/dbraw/zinc/02/56/23/374025623.db2.gz PHVDFTZVOJUBGI-LBPRGKRZSA-N 1 2 297.355 -1.017 20 0 CAADLO COC(=O)C[C@H]1C(=O)NCC[N@H+]1CCC(=O)N(C)C ZINC000046503181 374031732 /nfs/dbraw/zinc/03/17/32/374031732.db2.gz OXKNHHYKMICBKX-VIFPVBQESA-N 1 2 271.317 -1.172 20 0 CAADLO COC(=O)C[C@H]1C(=O)NCC[N@@H+]1CCC(=O)N(C)C ZINC000046503181 374031739 /nfs/dbraw/zinc/03/17/39/374031739.db2.gz OXKNHHYKMICBKX-VIFPVBQESA-N 1 2 271.317 -1.172 20 0 CAADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)CN1C(=O)CN(C)C1=O ZINC000046888768 374031790 /nfs/dbraw/zinc/03/17/90/374031790.db2.gz PWVSHNKPPIPBEK-JTQLQIEISA-N 1 2 298.343 -1.283 20 0 CAADLO CNC(=O)CC[N@@H+]1CCNC(=O)[C@H]1CC(=O)OC ZINC000046503119 374031830 /nfs/dbraw/zinc/03/18/30/374031830.db2.gz GDECOUIARYNLSL-MRVPVSSYSA-N 1 2 257.290 -1.514 20 0 CAADLO CNC(=O)CC[N@H+]1CCNC(=O)[C@H]1CC(=O)OC ZINC000046503119 374031836 /nfs/dbraw/zinc/03/18/36/374031836.db2.gz GDECOUIARYNLSL-MRVPVSSYSA-N 1 2 257.290 -1.514 20 0 CAADLO C[C@@H](NS(C)(=O)=O)C(=O)N(C)CC[NH+]1CCOCC1 ZINC000066117958 374035635 /nfs/dbraw/zinc/03/56/35/374035635.db2.gz VBJJDYCNZDWNMT-SNVBAGLBSA-N 1 2 293.389 -1.285 20 0 CAADLO CNC(=O)NC(=O)C[N@H+](C)CC(=O)N1CCOCC1 ZINC000060941569 374035920 /nfs/dbraw/zinc/03/59/20/374035920.db2.gz QJTVGFIWIFOHIA-UHFFFAOYSA-N 1 2 272.305 -1.767 20 0 CAADLO CNC(=O)NC(=O)C[N@@H+](C)CC(=O)N1CCOCC1 ZINC000060941569 374035930 /nfs/dbraw/zinc/03/59/30/374035930.db2.gz QJTVGFIWIFOHIA-UHFFFAOYSA-N 1 2 272.305 -1.767 20 0 CAADLO O=C(NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)[C@@H]1CC(=O)NC(=O)N1 ZINC000615859593 374036688 /nfs/dbraw/zinc/03/66/88/374036688.db2.gz JQGHXLQWQNRXOQ-AEJSXWLSSA-N 1 2 296.327 -1.436 20 0 CAADLO O=C(NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)[C@@H]1CC(=O)NC(=O)N1 ZINC000615859593 374036692 /nfs/dbraw/zinc/03/66/92/374036692.db2.gz JQGHXLQWQNRXOQ-AEJSXWLSSA-N 1 2 296.327 -1.436 20 0 CAADLO COCCCNC(=O)C[N@H+](C)CC(=O)N1CCOCC1 ZINC000060941565 374036763 /nfs/dbraw/zinc/03/67/63/374036763.db2.gz PWWXWUGSXDUKLQ-UHFFFAOYSA-N 1 2 287.360 -1.070 20 0 CAADLO COCCCNC(=O)C[N@@H+](C)CC(=O)N1CCOCC1 ZINC000060941565 374036770 /nfs/dbraw/zinc/03/67/70/374036770.db2.gz PWWXWUGSXDUKLQ-UHFFFAOYSA-N 1 2 287.360 -1.070 20 0 CAADLO CCCNC(=O)CN(C)C(=O)C[N@@H+]1CCC[C@H]1C(N)=O ZINC000066864190 374037568 /nfs/dbraw/zinc/03/75/68/374037568.db2.gz SUSVXRNIPJGTHM-JTQLQIEISA-N 1 2 284.360 -1.079 20 0 CAADLO CCCNC(=O)CN(C)C(=O)C[N@H+]1CCC[C@H]1C(N)=O ZINC000066864190 374037576 /nfs/dbraw/zinc/03/75/76/374037576.db2.gz SUSVXRNIPJGTHM-JTQLQIEISA-N 1 2 284.360 -1.079 20 0 CAADLO CCOC(=O)c1n[nH]c(CNC(=O)[C@H]2C[N@H+](C)CCO2)n1 ZINC000615918057 374037623 /nfs/dbraw/zinc/03/76/23/374037623.db2.gz QXAMLGYXPUFPLJ-MRVPVSSYSA-N 1 2 297.315 -1.072 20 0 CAADLO CCOC(=O)c1n[nH]c(CNC(=O)[C@H]2C[N@@H+](C)CCO2)n1 ZINC000615918057 374037638 /nfs/dbraw/zinc/03/76/38/374037638.db2.gz QXAMLGYXPUFPLJ-MRVPVSSYSA-N 1 2 297.315 -1.072 20 0 CAADLO COC(=O)CCNC(=O)C[N@H+](C)CC(=O)N(C)C ZINC000067132934 374037980 /nfs/dbraw/zinc/03/79/80/374037980.db2.gz PACXGMRHKFKTDP-UHFFFAOYSA-N 1 2 259.306 -1.314 20 0 CAADLO COC(=O)CCNC(=O)C[N@@H+](C)CC(=O)N(C)C ZINC000067132934 374037991 /nfs/dbraw/zinc/03/79/91/374037991.db2.gz PACXGMRHKFKTDP-UHFFFAOYSA-N 1 2 259.306 -1.314 20 0 CAADLO CC(=O)NCC(=O)N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000072651000 374039742 /nfs/dbraw/zinc/03/97/42/374039742.db2.gz SATPOQHXBMNSHA-UHFFFAOYSA-N 1 2 296.371 -1.111 20 0 CAADLO COCCNC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000069139881 374039792 /nfs/dbraw/zinc/03/97/92/374039792.db2.gz YXMXWQXUVWIWEA-GFCCVEGCSA-N 1 2 299.371 -1.070 20 0 CAADLO CN1CC[C@@H](NC(=O)NC[C@H]2COCC[N@@H+]2C)C1=O ZINC000623644106 374043568 /nfs/dbraw/zinc/04/35/68/374043568.db2.gz MLWSNZXONUHDHD-VHSXEESVSA-N 1 2 270.333 -1.153 20 0 CAADLO CN1CC[C@@H](NC(=O)NC[C@H]2COCC[N@H+]2C)C1=O ZINC000623644106 374043571 /nfs/dbraw/zinc/04/35/71/374043571.db2.gz MLWSNZXONUHDHD-VHSXEESVSA-N 1 2 270.333 -1.153 20 0 CAADLO CN1CC[C@H](NC(=O)NC[C@H]2COCC[N@@H+]2C)C1=O ZINC000623644105 374044133 /nfs/dbraw/zinc/04/41/33/374044133.db2.gz MLWSNZXONUHDHD-UWVGGRQHSA-N 1 2 270.333 -1.153 20 0 CAADLO CN1CC[C@H](NC(=O)NC[C@H]2COCC[N@H+]2C)C1=O ZINC000623644105 374044139 /nfs/dbraw/zinc/04/41/39/374044139.db2.gz MLWSNZXONUHDHD-UWVGGRQHSA-N 1 2 270.333 -1.153 20 0 CAADLO C[C@@H]1C[N@H+](CCO)CCN1C(=O)c1nc2n(n1)CCCN2 ZINC000616155812 374045612 /nfs/dbraw/zinc/04/56/12/374045612.db2.gz LIDFSECWTWQAJT-SNVBAGLBSA-N 1 2 294.359 -1.510 20 0 CAADLO C[C@@H]1C[N@@H+](CCO)CCN1C(=O)c1nc2n(n1)CCCN2 ZINC000616155812 374045619 /nfs/dbraw/zinc/04/56/19/374045619.db2.gz LIDFSECWTWQAJT-SNVBAGLBSA-N 1 2 294.359 -1.510 20 0 CAADLO CC(C)NC(=O)C[N@H+](C)CC(=O)NC[C@@H]1CCC(=O)N1 ZINC000619141910 374054577 /nfs/dbraw/zinc/05/45/77/374054577.db2.gz BTGAQHKIHLIGHX-JTQLQIEISA-N 1 2 284.360 -1.162 20 0 CAADLO CC(C)NC(=O)C[N@@H+](C)CC(=O)NC[C@@H]1CCC(=O)N1 ZINC000619141910 374054582 /nfs/dbraw/zinc/05/45/82/374054582.db2.gz BTGAQHKIHLIGHX-JTQLQIEISA-N 1 2 284.360 -1.162 20 0 CAADLO CNS(=O)(=O)NCC(=O)N[C@H](C)c1[nH+]ccn1C ZINC000620605804 374063657 /nfs/dbraw/zinc/06/36/57/374063657.db2.gz KKQVDJKNHQLOLC-SSDOTTSWSA-N 1 2 275.334 -1.349 20 0 CAADLO CNS(=O)(=O)NCC(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000620605805 374064280 /nfs/dbraw/zinc/06/42/80/374064280.db2.gz KKQVDJKNHQLOLC-ZETCQYMHSA-N 1 2 275.334 -1.349 20 0 CAADLO CNS(=O)(=O)CC[N@@H+](CC(N)=O)CC(C)C ZINC000621246669 374065243 /nfs/dbraw/zinc/06/52/43/374065243.db2.gz NABKASTUBAIGCD-UHFFFAOYSA-N 1 2 251.352 -1.021 20 0 CAADLO CNS(=O)(=O)CC[N@H+](CC(N)=O)CC(C)C ZINC000621246669 374065252 /nfs/dbraw/zinc/06/52/52/374065252.db2.gz NABKASTUBAIGCD-UHFFFAOYSA-N 1 2 251.352 -1.021 20 0 CAADLO CNS(=O)(=O)CC[N@@H+]1CCC[C@@H](NS(C)(=O)=O)C1 ZINC000621254431 374066534 /nfs/dbraw/zinc/06/65/34/374066534.db2.gz VTDBKPGKDPMBQS-SECBINFHSA-N 1 2 299.418 -1.451 20 0 CAADLO CNS(=O)(=O)CC[N@H+]1CCC[C@@H](NS(C)(=O)=O)C1 ZINC000621254431 374066542 /nfs/dbraw/zinc/06/65/42/374066542.db2.gz VTDBKPGKDPMBQS-SECBINFHSA-N 1 2 299.418 -1.451 20 0 CAADLO CNS(=O)(=O)CC[N@@H+]1CCC[C@H](NS(C)(=O)=O)C1 ZINC000621254432 374066583 /nfs/dbraw/zinc/06/65/83/374066583.db2.gz VTDBKPGKDPMBQS-VIFPVBQESA-N 1 2 299.418 -1.451 20 0 CAADLO CNS(=O)(=O)CC[N@H+]1CCC[C@H](NS(C)(=O)=O)C1 ZINC000621254432 374066589 /nfs/dbraw/zinc/06/65/89/374066589.db2.gz VTDBKPGKDPMBQS-VIFPVBQESA-N 1 2 299.418 -1.451 20 0 CAADLO CNS(=O)(=O)CC[N@@H+]1CCN2C(=O)CC[C@@H]2C1 ZINC000621271754 374067961 /nfs/dbraw/zinc/06/79/61/374067961.db2.gz SEHRZUNLJVGNDT-SECBINFHSA-N 1 2 261.347 -1.158 20 0 CAADLO CNS(=O)(=O)CC[N@H+]1CCN2C(=O)CC[C@@H]2C1 ZINC000621271754 374067968 /nfs/dbraw/zinc/06/79/68/374067968.db2.gz SEHRZUNLJVGNDT-SECBINFHSA-N 1 2 261.347 -1.158 20 0 CAADLO CNS(=O)(=O)CC[N@@H+]1CCN2CCOC[C@@H]2C1 ZINC000621278544 374068091 /nfs/dbraw/zinc/06/80/91/374068091.db2.gz RHLGSOKANUQJFE-JTQLQIEISA-N 1 2 263.363 -1.448 20 0 CAADLO CNS(=O)(=O)CC[N@H+]1CCN2CCOC[C@@H]2C1 ZINC000621278544 374068097 /nfs/dbraw/zinc/06/80/97/374068097.db2.gz RHLGSOKANUQJFE-JTQLQIEISA-N 1 2 263.363 -1.448 20 0 CAADLO CNS(=O)(=O)CC[N@@H+]1CC[C@@H](S(=O)(=O)NC)C1 ZINC000621269310 374068133 /nfs/dbraw/zinc/06/81/33/374068133.db2.gz QEWRLPDVCCEHRD-MRVPVSSYSA-N 1 2 285.391 -1.841 20 0 CAADLO CNS(=O)(=O)CC[N@H+]1CC[C@@H](S(=O)(=O)NC)C1 ZINC000621269310 374068137 /nfs/dbraw/zinc/06/81/37/374068137.db2.gz QEWRLPDVCCEHRD-MRVPVSSYSA-N 1 2 285.391 -1.841 20 0 CAADLO CNS(=O)(=O)CC[N@@H+]1CCN2C(=O)NC[C@H]2C1 ZINC000621262001 374068485 /nfs/dbraw/zinc/06/84/85/374068485.db2.gz LLZMAIDJJNTPHY-QMMMGPOBSA-N 1 2 262.335 -1.755 20 0 CAADLO CNS(=O)(=O)CC[N@H+]1CCN2C(=O)NC[C@H]2C1 ZINC000621262001 374068491 /nfs/dbraw/zinc/06/84/91/374068491.db2.gz LLZMAIDJJNTPHY-QMMMGPOBSA-N 1 2 262.335 -1.755 20 0 CAADLO CCNS(=O)(=O)[C@@H]1CC[N@H+](CCS(=O)(=O)NC)C1 ZINC000621272157 374068607 /nfs/dbraw/zinc/06/86/07/374068607.db2.gz FRLCYBUMSSHRDI-SECBINFHSA-N 1 2 299.418 -1.451 20 0 CAADLO CCNS(=O)(=O)[C@@H]1CC[N@@H+](CCS(=O)(=O)NC)C1 ZINC000621272157 374068613 /nfs/dbraw/zinc/06/86/13/374068613.db2.gz FRLCYBUMSSHRDI-SECBINFHSA-N 1 2 299.418 -1.451 20 0 CAADLO CNS(=O)(=O)CC[N@@H+]1CCSC[C@@H]1CO ZINC000621271332 374068824 /nfs/dbraw/zinc/06/88/24/374068824.db2.gz DGOBDPVKWGBIDM-QMMMGPOBSA-N 1 2 254.377 -1.055 20 0 CAADLO CNS(=O)(=O)CC[N@H+]1CCSC[C@@H]1CO ZINC000621271332 374068830 /nfs/dbraw/zinc/06/88/30/374068830.db2.gz DGOBDPVKWGBIDM-QMMMGPOBSA-N 1 2 254.377 -1.055 20 0 CAADLO CNS(=O)(=O)CC[N@H+]1C[C@H](CO)O[C@@H](C)C1 ZINC000621285383 374069271 /nfs/dbraw/zinc/06/92/71/374069271.db2.gz XGKKZQCOFGAYOL-DTWKUNHWSA-N 1 2 252.336 -1.383 20 0 CAADLO CNS(=O)(=O)CC[N@@H+]1C[C@H](CO)O[C@@H](C)C1 ZINC000621285383 374069281 /nfs/dbraw/zinc/06/92/81/374069281.db2.gz XGKKZQCOFGAYOL-DTWKUNHWSA-N 1 2 252.336 -1.383 20 0 CAADLO CNS(=O)(=O)CC[N@@H+]1CCC[C@@H]1CS(=O)(=O)NC ZINC000621267917 374069614 /nfs/dbraw/zinc/06/96/14/374069614.db2.gz UOZXAVZCZFGJQF-SECBINFHSA-N 1 2 299.418 -1.451 20 0 CAADLO CNS(=O)(=O)CC[N@H+]1CCC[C@@H]1CS(=O)(=O)NC ZINC000621267917 374069621 /nfs/dbraw/zinc/06/96/21/374069621.db2.gz UOZXAVZCZFGJQF-SECBINFHSA-N 1 2 299.418 -1.451 20 0 CAADLO CNS(=O)(=O)CC[N@@H+]1CCC[C@@H](S(N)(=O)=O)C1 ZINC000621272276 374069659 /nfs/dbraw/zinc/06/96/59/374069659.db2.gz KIIXZUJUVMSNKW-MRVPVSSYSA-N 1 2 285.391 -1.712 20 0 CAADLO CNS(=O)(=O)CC[N@H+]1CCC[C@@H](S(N)(=O)=O)C1 ZINC000621272276 374069670 /nfs/dbraw/zinc/06/96/70/374069670.db2.gz KIIXZUJUVMSNKW-MRVPVSSYSA-N 1 2 285.391 -1.712 20 0 CAADLO CN(C)C(=O)C[NH+]1CCN(C(=O)CCCC(N)=O)CC1 ZINC000621506508 374071265 /nfs/dbraw/zinc/07/12/65/374071265.db2.gz AZORZQSBMRFZEO-UHFFFAOYSA-N 1 2 284.360 -1.126 20 0 CAADLO CNC(=O)CCN(C)S(=O)(=O)C[C@@H]1C[N@H+](C)CCO1 ZINC000631894600 374120931 /nfs/dbraw/zinc/12/09/31/374120931.db2.gz YIVKFSNSXUKMJK-JTQLQIEISA-N 1 2 293.389 -1.285 20 0 CAADLO CNC(=O)CCN(C)S(=O)(=O)C[C@@H]1C[N@@H+](C)CCO1 ZINC000631894600 374120943 /nfs/dbraw/zinc/12/09/43/374120943.db2.gz YIVKFSNSXUKMJK-JTQLQIEISA-N 1 2 293.389 -1.285 20 0 CAADLO COc1cc(NC(=O)C(=O)N2CC[NH+](CCO)CC2)[nH]n1 ZINC000627451806 374124059 /nfs/dbraw/zinc/12/40/59/374124059.db2.gz RJEBEYFGQAGZJB-UHFFFAOYSA-N 1 2 297.315 -1.507 20 0 CAADLO CN(C)[C@H](C(=O)N1CCNC(=O)C1)c1c[nH+]cn1C ZINC000622278413 374085268 /nfs/dbraw/zinc/08/52/68/374085268.db2.gz VTETWJZPNINFJY-NSHDSACASA-N 1 2 265.317 -1.019 20 0 CAADLO C[C@H]1C[N@H+](CCNC(=O)[C@@]2(O)CCOC2)CCO1 ZINC000622342004 374087463 /nfs/dbraw/zinc/08/74/63/374087463.db2.gz XKEMXBPGPWMEHO-CMPLNLGQSA-N 1 2 258.318 -1.025 20 0 CAADLO C[C@H]1C[N@@H+](CCNC(=O)[C@@]2(O)CCOC2)CCO1 ZINC000622342004 374087468 /nfs/dbraw/zinc/08/74/68/374087468.db2.gz XKEMXBPGPWMEHO-CMPLNLGQSA-N 1 2 258.318 -1.025 20 0 CAADLO COCC[NH+]1CCN(C(=O)[C@]2(O)CCOC2)CC1 ZINC000622369551 374087476 /nfs/dbraw/zinc/08/74/76/374087476.db2.gz RBIIVPKLLMPOPY-LBPRGKRZSA-N 1 2 258.318 -1.072 20 0 CAADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@@]1(O)CCOC1 ZINC000622418801 374087588 /nfs/dbraw/zinc/08/75/88/374087588.db2.gz UFQUGTQBPUXHEN-WCQYABFASA-N 1 2 288.344 -1.711 20 0 CAADLO C[C@@H]1C[N@H+](CCNC(=O)[C@@]2(O)CCOC2)CCO1 ZINC000622342007 374087624 /nfs/dbraw/zinc/08/76/24/374087624.db2.gz XKEMXBPGPWMEHO-ZYHUDNBSSA-N 1 2 258.318 -1.025 20 0 CAADLO C[C@@H]1C[N@@H+](CCNC(=O)[C@@]2(O)CCOC2)CCO1 ZINC000622342007 374087629 /nfs/dbraw/zinc/08/76/29/374087629.db2.gz XKEMXBPGPWMEHO-ZYHUDNBSSA-N 1 2 258.318 -1.025 20 0 CAADLO CN(C)S(=O)(=O)N1CC([NH2+]Cc2cn(C)nn2)C1 ZINC000623793668 374091682 /nfs/dbraw/zinc/09/16/82/374091682.db2.gz OPRWNISRARHDNV-UHFFFAOYSA-N 1 2 274.350 -1.605 20 0 CAADLO CN1C[C@@H](NC(=O)NC[C@H]2COCC[N@@H+]2C)CC1=O ZINC000623722645 374091787 /nfs/dbraw/zinc/09/17/87/374091787.db2.gz SHNRUZSJRLLYTM-UWVGGRQHSA-N 1 2 270.333 -1.153 20 0 CAADLO CN1C[C@@H](NC(=O)NC[C@H]2COCC[N@H+]2C)CC1=O ZINC000623722645 374091792 /nfs/dbraw/zinc/09/17/92/374091792.db2.gz SHNRUZSJRLLYTM-UWVGGRQHSA-N 1 2 270.333 -1.153 20 0 CAADLO CN(C)S(=O)(=O)N1CC([NH2+]Cc2cnnn2C)C1 ZINC000623793675 374092205 /nfs/dbraw/zinc/09/22/05/374092205.db2.gz PCVGEUCGJXOYEG-UHFFFAOYSA-N 1 2 274.350 -1.605 20 0 CAADLO O=C(C[N@@H+]1C[C@@H](O)[C@@H](O)C1)NC(=O)NC1CCCC1 ZINC000093092806 374095295 /nfs/dbraw/zinc/09/52/95/374095295.db2.gz JDHDCXATJMJZND-AOOOYVTPSA-N 1 2 271.317 -1.208 20 0 CAADLO O=C(C[N@H+]1C[C@@H](O)[C@@H](O)C1)NC(=O)NC1CCCC1 ZINC000093092806 374095303 /nfs/dbraw/zinc/09/53/03/374095303.db2.gz JDHDCXATJMJZND-AOOOYVTPSA-N 1 2 271.317 -1.208 20 0 CAADLO Cn1nnc(CNC(=O)NC[C@@H]2COCC[N@@H+]2C)n1 ZINC000623959288 374097559 /nfs/dbraw/zinc/09/75/59/374097559.db2.gz MIFFKOZYYPNWNF-MRVPVSSYSA-N 1 2 269.309 -1.660 20 0 CAADLO Cn1nnc(CNC(=O)NC[C@@H]2COCC[N@H+]2C)n1 ZINC000623959288 374097564 /nfs/dbraw/zinc/09/75/64/374097564.db2.gz MIFFKOZYYPNWNF-MRVPVSSYSA-N 1 2 269.309 -1.660 20 0 CAADLO Nc1nc(N)[nH+]c(N[C@H]2CCCS(=O)(=O)C2)n1 ZINC000623980398 374098870 /nfs/dbraw/zinc/09/88/70/374098870.db2.gz FSSBMYAWONKTGY-YFKPBYRVSA-N 1 2 258.307 -1.892 20 0 CAADLO C[C@@H](CN(C)c1nc(N)nc(N)[nH+]1)c1nn[nH]n1 ZINC000624100148 374105889 /nfs/dbraw/zinc/10/58/89/374105889.db2.gz LBLGGUCXFGXBNV-BYPYZUCNSA-N 1 2 250.270 -1.550 20 0 CAADLO CN1C(=O)CC[C@H](NC(=O)NC[C@H]2COCC[N@@H+]2C)C1=O ZINC000624247041 374108743 /nfs/dbraw/zinc/10/87/43/374108743.db2.gz OQSWMYPPZNWLAZ-UWVGGRQHSA-N 1 2 298.343 -1.236 20 0 CAADLO CN1C(=O)CC[C@H](NC(=O)NC[C@H]2COCC[N@H+]2C)C1=O ZINC000624247041 374108748 /nfs/dbraw/zinc/10/87/48/374108748.db2.gz OQSWMYPPZNWLAZ-UWVGGRQHSA-N 1 2 298.343 -1.236 20 0 CAADLO NC(=O)[C@@H]1CC[C@H](C(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)O1 ZINC000627636869 374139053 /nfs/dbraw/zinc/13/90/53/374139053.db2.gz IDMZMEIVOPBXQW-WHOHXGKFSA-N 1 2 297.355 -1.001 20 0 CAADLO NC(=O)[C@@H]1CC[C@H](C(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)O1 ZINC000627636869 374139062 /nfs/dbraw/zinc/13/90/62/374139062.db2.gz IDMZMEIVOPBXQW-WHOHXGKFSA-N 1 2 297.355 -1.001 20 0 CAADLO O=C(Nc1ccc2[nH+]ccn2c1)C(=O)N1C[C@H](O)[C@@H](O)C1 ZINC000627737670 374141966 /nfs/dbraw/zinc/14/19/66/374141966.db2.gz IFPNQQHKMFSVOD-UWVGGRQHSA-N 1 2 290.279 -1.163 20 0 CAADLO CC(=O)NCCNS(=O)(=O)C[C@@H]1C[N@H+](C)CCO1 ZINC000631655673 374149132 /nfs/dbraw/zinc/14/91/32/374149132.db2.gz VNLBEDKQZCPMDD-JTQLQIEISA-N 1 2 279.362 -1.628 20 0 CAADLO CC(=O)NCCNS(=O)(=O)C[C@@H]1C[N@@H+](C)CCO1 ZINC000631655673 374149139 /nfs/dbraw/zinc/14/91/39/374149139.db2.gz VNLBEDKQZCPMDD-JTQLQIEISA-N 1 2 279.362 -1.628 20 0 CAADLO C[N@@H+]1CCO[C@@H](CS(=O)(=O)N2CCOCC2)C1 ZINC000631638903 374149453 /nfs/dbraw/zinc/14/94/53/374149453.db2.gz HGJBCFLCQRPMKG-SNVBAGLBSA-N 1 2 264.347 -1.021 20 0 CAADLO C[N@H+]1CCO[C@@H](CS(=O)(=O)N2CCOCC2)C1 ZINC000631638903 374149465 /nfs/dbraw/zinc/14/94/65/374149465.db2.gz HGJBCFLCQRPMKG-SNVBAGLBSA-N 1 2 264.347 -1.021 20 0 CAADLO CNC(=O)CN(C)S(=O)(=O)C[C@H]1C[N@H+](C)CCO1 ZINC000631664561 374149671 /nfs/dbraw/zinc/14/96/71/374149671.db2.gz PNGNFPRZISUGFA-SECBINFHSA-N 1 2 279.362 -1.675 20 0 CAADLO CNC(=O)CN(C)S(=O)(=O)C[C@H]1C[N@@H+](C)CCO1 ZINC000631664561 374149674 /nfs/dbraw/zinc/14/96/74/374149674.db2.gz PNGNFPRZISUGFA-SECBINFHSA-N 1 2 279.362 -1.675 20 0 CAADLO C[C@H]1C(=O)NCCN1S(=O)(=O)C[C@H]1C[N@H+](C)CCO1 ZINC000631900428 374150772 /nfs/dbraw/zinc/15/07/72/374150772.db2.gz SRTOBSFOWGRMMB-VHSXEESVSA-N 1 2 291.373 -1.533 20 0 CAADLO C[C@H]1C(=O)NCCN1S(=O)(=O)C[C@H]1C[N@@H+](C)CCO1 ZINC000631900428 374150781 /nfs/dbraw/zinc/15/07/81/374150781.db2.gz SRTOBSFOWGRMMB-VHSXEESVSA-N 1 2 291.373 -1.533 20 0 CAADLO Cn1c(=O)[nH]cc1C(=O)N(CCO)CC[NH+]1CCOCC1 ZINC000631985754 374158055 /nfs/dbraw/zinc/15/80/55/374158055.db2.gz BPIPSXYJKQYJQI-UHFFFAOYSA-N 1 2 298.343 -1.108 20 0 CAADLO CC[C@H](CO)[NH+]1CCN(C(=O)C2CS(=O)(=O)C2)CC1 ZINC000631989264 374158266 /nfs/dbraw/zinc/15/82/66/374158266.db2.gz QHNQJSOPEZVISX-LLVKDONJSA-N 1 2 290.385 -1.054 20 0 CAADLO C[C@@H](O)CNS(=O)(=O)C[C@H]1C[N@H+](C)CCO1 ZINC000631999919 374158432 /nfs/dbraw/zinc/15/84/32/374158432.db2.gz WAAIZZSFNYZFKH-RKDXNWHRSA-N 1 2 252.336 -1.383 20 0 CAADLO C[C@@H](O)CNS(=O)(=O)C[C@H]1C[N@@H+](C)CCO1 ZINC000631999919 374158434 /nfs/dbraw/zinc/15/84/34/374158434.db2.gz WAAIZZSFNYZFKH-RKDXNWHRSA-N 1 2 252.336 -1.383 20 0 CAADLO C[C@@H](O)CNS(=O)(=O)C[C@@H]1C[N@H+](C)CCO1 ZINC000631999916 374158464 /nfs/dbraw/zinc/15/84/64/374158464.db2.gz WAAIZZSFNYZFKH-BDAKNGLRSA-N 1 2 252.336 -1.383 20 0 CAADLO C[C@@H](O)CNS(=O)(=O)C[C@@H]1C[N@@H+](C)CCO1 ZINC000631999916 374158466 /nfs/dbraw/zinc/15/84/66/374158466.db2.gz WAAIZZSFNYZFKH-BDAKNGLRSA-N 1 2 252.336 -1.383 20 0 CAADLO CN(CCO)S(=O)(=O)C[C@@H]1C[N@H+](C)CCO1 ZINC000631998819 374158558 /nfs/dbraw/zinc/15/85/58/374158558.db2.gz MPOHIXLDQKCLCY-VIFPVBQESA-N 1 2 252.336 -1.429 20 0 CAADLO CN(CCO)S(=O)(=O)C[C@@H]1C[N@@H+](C)CCO1 ZINC000631998819 374158563 /nfs/dbraw/zinc/15/85/63/374158563.db2.gz MPOHIXLDQKCLCY-VIFPVBQESA-N 1 2 252.336 -1.429 20 0 CAADLO O=C([C@@H]1CCCNC1=O)N(CCO)CC[NH+]1CCOCC1 ZINC000631986198 374158735 /nfs/dbraw/zinc/15/87/35/374158735.db2.gz UDOVVLBBGVTJJL-GFCCVEGCSA-N 1 2 299.371 -1.334 20 0 CAADLO O=C([C@H]1CCCNC1=O)N(CCO)CC[NH+]1CCOCC1 ZINC000631986199 374158856 /nfs/dbraw/zinc/15/88/56/374158856.db2.gz UDOVVLBBGVTJJL-LBPRGKRZSA-N 1 2 299.371 -1.334 20 0 CAADLO CCN(CCO)S(=O)(=O)C[C@@H]1C[N@H+](C)CCO1 ZINC000631999821 374160421 /nfs/dbraw/zinc/16/04/21/374160421.db2.gz RYRWHESRHRFPRY-JTQLQIEISA-N 1 2 266.363 -1.039 20 0 CAADLO CCN(CCO)S(=O)(=O)C[C@@H]1C[N@@H+](C)CCO1 ZINC000631999821 374160427 /nfs/dbraw/zinc/16/04/27/374160427.db2.gz RYRWHESRHRFPRY-JTQLQIEISA-N 1 2 266.363 -1.039 20 0 CAADLO CC[C@H](NC(C)=O)C(=O)NCCC[N@@H+]1CCNC(=O)C1 ZINC000632075817 374160499 /nfs/dbraw/zinc/16/04/99/374160499.db2.gz VEODXJBVDKGBOA-NSHDSACASA-N 1 2 284.360 -1.161 20 0 CAADLO CC[C@H](NC(C)=O)C(=O)NCCC[N@H+]1CCNC(=O)C1 ZINC000632075817 374160504 /nfs/dbraw/zinc/16/05/04/374160504.db2.gz VEODXJBVDKGBOA-NSHDSACASA-N 1 2 284.360 -1.161 20 0 CAADLO C[C@@H](CO)CNS(=O)(=O)C[C@@H]1C[N@H+](C)CCO1 ZINC000632003955 374160563 /nfs/dbraw/zinc/16/05/63/374160563.db2.gz TVFCJKVCBBIWFN-ZJUUUORDSA-N 1 2 266.363 -1.135 20 0 CAADLO C[C@@H](CO)CNS(=O)(=O)C[C@@H]1C[N@@H+](C)CCO1 ZINC000632003955 374160567 /nfs/dbraw/zinc/16/05/67/374160567.db2.gz TVFCJKVCBBIWFN-ZJUUUORDSA-N 1 2 266.363 -1.135 20 0 CAADLO C[C@H](CO)N(C)S(=O)(=O)C[C@H]1C[N@H+](C)CCO1 ZINC000632139563 374160890 /nfs/dbraw/zinc/16/08/90/374160890.db2.gz SVBXRXZDUNDMGI-NXEZZACHSA-N 1 2 266.363 -1.041 20 0 CAADLO C[C@H](CO)N(C)S(=O)(=O)C[C@H]1C[N@@H+](C)CCO1 ZINC000632139563 374160895 /nfs/dbraw/zinc/16/08/95/374160895.db2.gz SVBXRXZDUNDMGI-NXEZZACHSA-N 1 2 266.363 -1.041 20 0 CAADLO C[C@@H](NS(=O)(=O)C[C@@H]1C[N@H+](C)CCO1)C(=O)N(C)C ZINC000632074664 374160968 /nfs/dbraw/zinc/16/09/68/374160968.db2.gz CQYORKDEHGRYQY-ZJUUUORDSA-N 1 2 293.389 -1.287 20 0 CAADLO C[C@@H](NS(=O)(=O)C[C@@H]1C[N@@H+](C)CCO1)C(=O)N(C)C ZINC000632074664 374160977 /nfs/dbraw/zinc/16/09/77/374160977.db2.gz CQYORKDEHGRYQY-ZJUUUORDSA-N 1 2 293.389 -1.287 20 0 CAADLO C[C@H](CO)N(C)S(=O)(=O)C[C@@H]1C[N@H+](C)CCO1 ZINC000632139566 374161516 /nfs/dbraw/zinc/16/15/16/374161516.db2.gz SVBXRXZDUNDMGI-ZJUUUORDSA-N 1 2 266.363 -1.041 20 0 CAADLO C[C@H](CO)N(C)S(=O)(=O)C[C@@H]1C[N@@H+](C)CCO1 ZINC000632139566 374161522 /nfs/dbraw/zinc/16/15/22/374161522.db2.gz SVBXRXZDUNDMGI-ZJUUUORDSA-N 1 2 266.363 -1.041 20 0 CAADLO CN1CCN(S(=O)(=O)C[C@H]2C[N@H+](C)CCO2)CC1=O ZINC000632017675 374161662 /nfs/dbraw/zinc/16/16/62/374161662.db2.gz GGOAOEZVFJXBMJ-SNVBAGLBSA-N 1 2 291.373 -1.579 20 0 CAADLO CN1CCN(S(=O)(=O)C[C@H]2C[N@@H+](C)CCO2)CC1=O ZINC000632017675 374161668 /nfs/dbraw/zinc/16/16/68/374161668.db2.gz GGOAOEZVFJXBMJ-SNVBAGLBSA-N 1 2 291.373 -1.579 20 0 CAADLO C[C@@H](CO)NS(=O)(=O)C[C@H]1C[N@H+](C)CCO1 ZINC000632040238 374161741 /nfs/dbraw/zinc/16/17/41/374161741.db2.gz AKRGKHIYRFYLNC-DTWKUNHWSA-N 1 2 252.336 -1.383 20 0 CAADLO C[C@@H](CO)NS(=O)(=O)C[C@H]1C[N@@H+](C)CCO1 ZINC000632040238 374161745 /nfs/dbraw/zinc/16/17/45/374161745.db2.gz AKRGKHIYRFYLNC-DTWKUNHWSA-N 1 2 252.336 -1.383 20 0 CAADLO C[C@H](CO)CNS(=O)(=O)C[C@@H]1C[N@H+](C)CCO1 ZINC000632003953 374161838 /nfs/dbraw/zinc/16/18/38/374161838.db2.gz TVFCJKVCBBIWFN-UWVGGRQHSA-N 1 2 266.363 -1.135 20 0 CAADLO C[C@H](CO)CNS(=O)(=O)C[C@@H]1C[N@@H+](C)CCO1 ZINC000632003953 374161842 /nfs/dbraw/zinc/16/18/42/374161842.db2.gz TVFCJKVCBBIWFN-UWVGGRQHSA-N 1 2 266.363 -1.135 20 0 CAADLO CN([C@@H]1CCNC1=O)S(=O)(=O)C[C@@H]1C[N@H+](C)CCO1 ZINC000632152129 374162648 /nfs/dbraw/zinc/16/26/48/374162648.db2.gz BQSMQSSZQSTDBX-VHSXEESVSA-N 1 2 291.373 -1.533 20 0 CAADLO CN([C@@H]1CCNC1=O)S(=O)(=O)C[C@@H]1C[N@@H+](C)CCO1 ZINC000632152129 374162659 /nfs/dbraw/zinc/16/26/59/374162659.db2.gz BQSMQSSZQSTDBX-VHSXEESVSA-N 1 2 291.373 -1.533 20 0 CAADLO COC[C@H](O)CCNS(=O)(=O)C[C@@H]1C[N@H+](C)CCO1 ZINC000632161525 374162716 /nfs/dbraw/zinc/16/27/16/374162716.db2.gz BEXAFGZYFBYTIT-MNOVXSKESA-N 1 2 296.389 -1.366 20 0 CAADLO COC[C@H](O)CCNS(=O)(=O)C[C@@H]1C[N@@H+](C)CCO1 ZINC000632161525 374162724 /nfs/dbraw/zinc/16/27/24/374162724.db2.gz BEXAFGZYFBYTIT-MNOVXSKESA-N 1 2 296.389 -1.366 20 0 CAADLO C[N@@H+]1CCO[C@H](CS(=O)(=O)NCCCOCCO)C1 ZINC000632195799 374162791 /nfs/dbraw/zinc/16/27/91/374162791.db2.gz GWZHXYYJORHXNL-NSHDSACASA-N 1 2 296.389 -1.365 20 0 CAADLO C[N@H+]1CCO[C@H](CS(=O)(=O)NCCCOCCO)C1 ZINC000632195799 374162804 /nfs/dbraw/zinc/16/28/04/374162804.db2.gz GWZHXYYJORHXNL-NSHDSACASA-N 1 2 296.389 -1.365 20 0 CAADLO C[N@@H+]1CCO[C@@H](CS(=O)(=O)NC[C@@]2(O)CCOC2)C1 ZINC000632142596 374162884 /nfs/dbraw/zinc/16/28/84/374162884.db2.gz IKQSBRDDLQCONL-MNOVXSKESA-N 1 2 294.373 -1.612 20 0 CAADLO C[N@H+]1CCO[C@@H](CS(=O)(=O)NC[C@@]2(O)CCOC2)C1 ZINC000632142596 374162892 /nfs/dbraw/zinc/16/28/92/374162892.db2.gz IKQSBRDDLQCONL-MNOVXSKESA-N 1 2 294.373 -1.612 20 0 CAADLO COC[C@H](O)CCNS(=O)(=O)C[C@H]1C[N@H+](C)CCO1 ZINC000632161524 374162937 /nfs/dbraw/zinc/16/29/37/374162937.db2.gz BEXAFGZYFBYTIT-GHMZBOCLSA-N 1 2 296.389 -1.366 20 0 CAADLO COC[C@H](O)CCNS(=O)(=O)C[C@H]1C[N@@H+](C)CCO1 ZINC000632161524 374162947 /nfs/dbraw/zinc/16/29/47/374162947.db2.gz BEXAFGZYFBYTIT-GHMZBOCLSA-N 1 2 296.389 -1.366 20 0 CAADLO C[C@@H]1CN(S(=O)(=O)C[C@H]2C[N@H+](C)CCO2)C[C@H]1O ZINC000632168884 374163756 /nfs/dbraw/zinc/16/37/56/374163756.db2.gz COTVVFVKMHBDSF-GMTAPVOTSA-N 1 2 278.374 -1.041 20 0 CAADLO C[C@@H]1CN(S(=O)(=O)C[C@H]2C[N@@H+](C)CCO2)C[C@H]1O ZINC000632168884 374163761 /nfs/dbraw/zinc/16/37/61/374163761.db2.gz COTVVFVKMHBDSF-GMTAPVOTSA-N 1 2 278.374 -1.041 20 0 CAADLO O=C(CO)N1CCN(C(=O)C2([NH+]3CCOCC3)CC2)CC1 ZINC000632149816 374163876 /nfs/dbraw/zinc/16/38/76/374163876.db2.gz IIRKBSWQRQMRAY-UHFFFAOYSA-N 1 2 297.355 -1.486 20 0 CAADLO COCC[C@H](CO)NS(=O)(=O)C[C@H]1C[N@H+](C)CCO1 ZINC000632303789 374165528 /nfs/dbraw/zinc/16/55/28/374165528.db2.gz ZMLDOHNJNYKKEZ-GHMZBOCLSA-N 1 2 296.389 -1.366 20 0 CAADLO COCC[C@H](CO)NS(=O)(=O)C[C@H]1C[N@@H+](C)CCO1 ZINC000632303789 374165531 /nfs/dbraw/zinc/16/55/31/374165531.db2.gz ZMLDOHNJNYKKEZ-GHMZBOCLSA-N 1 2 296.389 -1.366 20 0 CAADLO CCN(C)C(=O)CNS(=O)(=O)C[C@@H]1C[N@H+](C)CCO1 ZINC000632235528 374165637 /nfs/dbraw/zinc/16/56/37/374165637.db2.gz VQYPLWCVTZMWHY-JTQLQIEISA-N 1 2 293.389 -1.285 20 0 CAADLO CCN(C)C(=O)CNS(=O)(=O)C[C@@H]1C[N@@H+](C)CCO1 ZINC000632235528 374165643 /nfs/dbraw/zinc/16/56/43/374165643.db2.gz VQYPLWCVTZMWHY-JTQLQIEISA-N 1 2 293.389 -1.285 20 0 CAADLO C[C@H](NS(=O)(=O)C[C@@H]1C[N@H+](C)CCO1)C(=O)N(C)C ZINC000632270942 374166926 /nfs/dbraw/zinc/16/69/26/374166926.db2.gz CQYORKDEHGRYQY-UWVGGRQHSA-N 1 2 293.389 -1.287 20 0 CAADLO C[C@H](NS(=O)(=O)C[C@@H]1C[N@@H+](C)CCO1)C(=O)N(C)C ZINC000632270942 374166938 /nfs/dbraw/zinc/16/69/38/374166938.db2.gz CQYORKDEHGRYQY-UWVGGRQHSA-N 1 2 293.389 -1.287 20 0 CAADLO CN(CCC(N)=O)S(=O)(=O)C[C@@H]1C[N@H+](C)CCO1 ZINC000632334280 374168130 /nfs/dbraw/zinc/16/81/30/374168130.db2.gz BFSMAJDZOYDONY-VIFPVBQESA-N 1 2 279.362 -1.546 20 0 CAADLO CN(CCC(N)=O)S(=O)(=O)C[C@@H]1C[N@@H+](C)CCO1 ZINC000632334280 374168134 /nfs/dbraw/zinc/16/81/34/374168134.db2.gz BFSMAJDZOYDONY-VIFPVBQESA-N 1 2 279.362 -1.546 20 0 CAADLO CN(Cc1[nH]cc[nH+]1)C(=O)C(=O)N1CCNC(=O)C1 ZINC000632351078 374168426 /nfs/dbraw/zinc/16/84/26/374168426.db2.gz NUPPAJHMHNXRIX-UHFFFAOYSA-N 1 2 265.273 -1.674 20 0 CAADLO COCC1(O)CN(S(=O)(=O)C[C@@H]2C[N@H+](C)CCO2)C1 ZINC000632392470 374169536 /nfs/dbraw/zinc/16/95/36/374169536.db2.gz MGVUNTZXJRVPGL-JTQLQIEISA-N 1 2 294.373 -1.660 20 0 CAADLO COCC1(O)CN(S(=O)(=O)C[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000632392470 374169550 /nfs/dbraw/zinc/16/95/50/374169550.db2.gz MGVUNTZXJRVPGL-JTQLQIEISA-N 1 2 294.373 -1.660 20 0 CAADLO COCC(COC)NS(=O)(=O)C[C@@H]1C[N@@H+](C)CCO1 ZINC000632413545 374170042 /nfs/dbraw/zinc/17/00/42/374170042.db2.gz GFEWIWQOGVVPFN-NSHDSACASA-N 1 2 296.389 -1.102 20 0 CAADLO CNC(=O)C[C@H](C)NS(=O)(=O)C[C@@H]1C[N@H+](C)CCO1 ZINC000632418289 374170091 /nfs/dbraw/zinc/17/00/91/374170091.db2.gz CIFPQLQSVNIVGU-UWVGGRQHSA-N 1 2 293.389 -1.239 20 0 CAADLO CNC(=O)C[C@H](C)NS(=O)(=O)C[C@@H]1C[N@@H+](C)CCO1 ZINC000632418289 374170097 /nfs/dbraw/zinc/17/00/97/374170097.db2.gz CIFPQLQSVNIVGU-UWVGGRQHSA-N 1 2 293.389 -1.239 20 0 CAADLO C[C@H]1CN(S(=O)(=O)C[C@H]2C[N@H+](C)CCO2)CC(=O)N1 ZINC000632413262 374170239 /nfs/dbraw/zinc/17/02/39/374170239.db2.gz YFXUMJWYFGHDJH-VHSXEESVSA-N 1 2 291.373 -1.533 20 0 CAADLO C[C@H]1CN(S(=O)(=O)C[C@H]2C[N@@H+](C)CCO2)CC(=O)N1 ZINC000632413262 374170242 /nfs/dbraw/zinc/17/02/42/374170242.db2.gz YFXUMJWYFGHDJH-VHSXEESVSA-N 1 2 291.373 -1.533 20 0 CAADLO C[N@@H+]1CCO[C@@H](CS(=O)(=O)N2CCOC[C@H](O)C2)C1 ZINC000632390654 374170318 /nfs/dbraw/zinc/17/03/18/374170318.db2.gz GNLKDELNYPSTMD-GHMZBOCLSA-N 1 2 294.373 -1.660 20 0 CAADLO C[N@H+]1CCO[C@@H](CS(=O)(=O)N2CCOC[C@H](O)C2)C1 ZINC000632390654 374170321 /nfs/dbraw/zinc/17/03/21/374170321.db2.gz GNLKDELNYPSTMD-GHMZBOCLSA-N 1 2 294.373 -1.660 20 0 CAADLO C[N@@H+]1CCO[C@@H](CS(=O)(=O)N[C@H]2C[C@@H](O)C2)C1 ZINC000632430954 374170465 /nfs/dbraw/zinc/17/04/65/374170465.db2.gz LGLCPVYKXJATGF-KXUCPTDWSA-N 1 2 264.347 -1.240 20 0 CAADLO C[N@H+]1CCO[C@@H](CS(=O)(=O)N[C@H]2C[C@@H](O)C2)C1 ZINC000632430954 374170469 /nfs/dbraw/zinc/17/04/69/374170469.db2.gz LGLCPVYKXJATGF-KXUCPTDWSA-N 1 2 264.347 -1.240 20 0 CAADLO C[N@@H+]1CCO[C@H](CS(=O)(=O)N[C@@H](CO)CCF)C1 ZINC000632514047 374171479 /nfs/dbraw/zinc/17/14/79/374171479.db2.gz YUNYOZCDPNMSNI-ZJUUUORDSA-N 1 2 284.353 -1.043 20 0 CAADLO C[N@H+]1CCO[C@H](CS(=O)(=O)N[C@@H](CO)CCF)C1 ZINC000632514047 374171489 /nfs/dbraw/zinc/17/14/89/374171489.db2.gz YUNYOZCDPNMSNI-ZJUUUORDSA-N 1 2 284.353 -1.043 20 0 CAADLO CO[C@](C)(CO)CNS(=O)(=O)C[C@H]1C[N@H+](C)CCO1 ZINC000632536901 374172437 /nfs/dbraw/zinc/17/24/37/374172437.db2.gz VXKMRYRDBMMNPH-MNOVXSKESA-N 1 2 296.389 -1.366 20 0 CAADLO CO[C@](C)(CO)CNS(=O)(=O)C[C@H]1C[N@@H+](C)CCO1 ZINC000632536901 374172438 /nfs/dbraw/zinc/17/24/38/374172438.db2.gz VXKMRYRDBMMNPH-MNOVXSKESA-N 1 2 296.389 -1.366 20 0 CAADLO C[N@@H+]1CCN(S(=O)(=O)c2ncc[nH]2)[C@H](CO)C1 ZINC000632577597 374173420 /nfs/dbraw/zinc/17/34/20/374173420.db2.gz DUZZIUCVNIKBRG-QMMMGPOBSA-N 1 2 260.319 -1.293 20 0 CAADLO C[N@H+]1CCN(S(=O)(=O)c2ncc[nH]2)[C@H](CO)C1 ZINC000632577597 374173429 /nfs/dbraw/zinc/17/34/29/374173429.db2.gz DUZZIUCVNIKBRG-QMMMGPOBSA-N 1 2 260.319 -1.293 20 0 CAADLO Cn1ccc(S(=O)(=O)N2CC[N@H+](C)C[C@@H]2CO)n1 ZINC000632576020 374173922 /nfs/dbraw/zinc/17/39/22/374173922.db2.gz HCMYVEKBRGIDAR-SECBINFHSA-N 1 2 274.346 -1.283 20 0 CAADLO Cn1ccc(S(=O)(=O)N2CC[N@@H+](C)C[C@@H]2CO)n1 ZINC000632576020 374173928 /nfs/dbraw/zinc/17/39/28/374173928.db2.gz HCMYVEKBRGIDAR-SECBINFHSA-N 1 2 274.346 -1.283 20 0 CAADLO C[C@H](C(=O)N(C)C)S(=O)(=O)N1CC[N@H+](C)C[C@@H]1CO ZINC000632578447 374173968 /nfs/dbraw/zinc/17/39/68/374173968.db2.gz WBIJMZWOMPYEAI-NXEZZACHSA-N 1 2 293.389 -1.599 20 0 CAADLO C[C@H](C(=O)N(C)C)S(=O)(=O)N1CC[N@@H+](C)C[C@@H]1CO ZINC000632578447 374173974 /nfs/dbraw/zinc/17/39/74/374173974.db2.gz WBIJMZWOMPYEAI-NXEZZACHSA-N 1 2 293.389 -1.599 20 0 CAADLO COCCN(C)S(=O)(=O)N1CC[N@H+](C)C[C@@H]1CO ZINC000632577679 374173999 /nfs/dbraw/zinc/17/39/99/374173999.db2.gz FQESHFOWGWYNRW-SNVBAGLBSA-N 1 2 281.378 -1.582 20 0 CAADLO COCCN(C)S(=O)(=O)N1CC[N@@H+](C)C[C@@H]1CO ZINC000632577679 374174006 /nfs/dbraw/zinc/17/40/06/374174006.db2.gz FQESHFOWGWYNRW-SNVBAGLBSA-N 1 2 281.378 -1.582 20 0 CAADLO CCCNS(=O)(=O)N1CC[N@H+](C)C[C@@H]1CO ZINC000632575944 374174158 /nfs/dbraw/zinc/17/41/58/374174158.db2.gz FDDSYUHEUPLJRL-SECBINFHSA-N 1 2 251.352 -1.161 20 0 CAADLO CCCNS(=O)(=O)N1CC[N@@H+](C)C[C@@H]1CO ZINC000632575944 374174166 /nfs/dbraw/zinc/17/41/66/374174166.db2.gz FDDSYUHEUPLJRL-SECBINFHSA-N 1 2 251.352 -1.161 20 0 CAADLO C[N@@H+]1CCO[C@@H](CS(=O)(=O)N2CCC[C@H]2C(N)=O)C1 ZINC000632595453 374174235 /nfs/dbraw/zinc/17/42/35/374174235.db2.gz ILSHAVMVYJFTQQ-ZJUUUORDSA-N 1 2 291.373 -1.404 20 0 CAADLO C[N@H+]1CCO[C@@H](CS(=O)(=O)N2CCC[C@H]2C(N)=O)C1 ZINC000632595453 374174240 /nfs/dbraw/zinc/17/42/40/374174240.db2.gz ILSHAVMVYJFTQQ-ZJUUUORDSA-N 1 2 291.373 -1.404 20 0 CAADLO COC[C@H](C)S(=O)(=O)N1CC[N@H+](C)C[C@H]1CO ZINC000632577375 374174280 /nfs/dbraw/zinc/17/42/80/374174280.db2.gz AJIVSFGCQCEAOD-UWVGGRQHSA-N 1 2 266.363 -1.041 20 0 CAADLO COC[C@H](C)S(=O)(=O)N1CC[N@@H+](C)C[C@H]1CO ZINC000632577375 374174285 /nfs/dbraw/zinc/17/42/85/374174285.db2.gz AJIVSFGCQCEAOD-UWVGGRQHSA-N 1 2 266.363 -1.041 20 0 CAADLO C[C@@H](O)C[N@@H+]1CCN(C(=O)C2CS(=O)(=O)C2)[C@@H](C)C1 ZINC000632565847 374174316 /nfs/dbraw/zinc/17/43/16/374174316.db2.gz RKHOYWIZGUNCJI-VHSXEESVSA-N 1 2 290.385 -1.056 20 0 CAADLO C[C@@H](O)C[N@H+]1CCN(C(=O)C2CS(=O)(=O)C2)[C@@H](C)C1 ZINC000632565847 374174321 /nfs/dbraw/zinc/17/43/21/374174321.db2.gz RKHOYWIZGUNCJI-VHSXEESVSA-N 1 2 290.385 -1.056 20 0 CAADLO CO[C@@H](C)CS(=O)(=O)N1CC[N@H+](C)C[C@H]1CO ZINC000632578183 374174474 /nfs/dbraw/zinc/17/44/74/374174474.db2.gz PFEHUSRIZRYIRP-UWVGGRQHSA-N 1 2 266.363 -1.041 20 0 CAADLO CO[C@@H](C)CS(=O)(=O)N1CC[N@@H+](C)C[C@H]1CO ZINC000632578183 374174478 /nfs/dbraw/zinc/17/44/78/374174478.db2.gz PFEHUSRIZRYIRP-UWVGGRQHSA-N 1 2 266.363 -1.041 20 0 CAADLO C[C@H]1CN(C(=O)Cc2ncn[nH]2)CC[N@@H+]1CCO ZINC000632585815 374174583 /nfs/dbraw/zinc/17/45/83/374174583.db2.gz CYGQAGLUCOYSHR-VIFPVBQESA-N 1 2 253.306 -1.128 20 0 CAADLO C[C@H]1CN(C(=O)Cc2ncn[nH]2)CC[N@H+]1CCO ZINC000632585815 374174587 /nfs/dbraw/zinc/17/45/87/374174587.db2.gz CYGQAGLUCOYSHR-VIFPVBQESA-N 1 2 253.306 -1.128 20 0 CAADLO Cn1cc(S(=O)(=O)N2CC[N@H+](C)C[C@@H]2CO)cn1 ZINC000632577698 374174612 /nfs/dbraw/zinc/17/46/12/374174612.db2.gz VTHLNODRLMLTAL-SECBINFHSA-N 1 2 274.346 -1.283 20 0 CAADLO Cn1cc(S(=O)(=O)N2CC[N@@H+](C)C[C@@H]2CO)cn1 ZINC000632577698 374174616 /nfs/dbraw/zinc/17/46/16/374174616.db2.gz VTHLNODRLMLTAL-SECBINFHSA-N 1 2 274.346 -1.283 20 0 CAADLO C[C@@H]1CN(C(=O)Cc2ncn[nH]2)CC[N@@H+]1CCO ZINC000632585814 374174633 /nfs/dbraw/zinc/17/46/33/374174633.db2.gz CYGQAGLUCOYSHR-SECBINFHSA-N 1 2 253.306 -1.128 20 0 CAADLO C[C@@H]1CN(C(=O)Cc2ncn[nH]2)CC[N@H+]1CCO ZINC000632585814 374174636 /nfs/dbraw/zinc/17/46/36/374174636.db2.gz CYGQAGLUCOYSHR-SECBINFHSA-N 1 2 253.306 -1.128 20 0 CAADLO C[C@@H](C(=O)N(C)C)S(=O)(=O)N1CC[N@H+](C)C[C@H]1CO ZINC000632578448 374174680 /nfs/dbraw/zinc/17/46/80/374174680.db2.gz WBIJMZWOMPYEAI-UWVGGRQHSA-N 1 2 293.389 -1.599 20 0 CAADLO C[C@@H](C(=O)N(C)C)S(=O)(=O)N1CC[N@@H+](C)C[C@H]1CO ZINC000632578448 374174684 /nfs/dbraw/zinc/17/46/84/374174684.db2.gz WBIJMZWOMPYEAI-UWVGGRQHSA-N 1 2 293.389 -1.599 20 0 CAADLO O=S(=O)(CCC[NH+]1CCOCC1)N[C@H]1COC[C@H]1O ZINC000632622318 374175418 /nfs/dbraw/zinc/17/54/18/374175418.db2.gz CVPHSNYBXPJMPX-WDEREUQCSA-N 1 2 294.373 -1.612 20 0 CAADLO C[N@@H+]1CCO[C@H](CS(=O)(=O)N[C@@H]2COCC[C@H]2O)C1 ZINC000632707119 374177525 /nfs/dbraw/zinc/17/75/25/374177525.db2.gz CUXDPQSURMYTHN-HBNTYKKESA-N 1 2 294.373 -1.614 20 0 CAADLO C[N@H+]1CCO[C@H](CS(=O)(=O)N[C@@H]2COCC[C@H]2O)C1 ZINC000632707119 374177532 /nfs/dbraw/zinc/17/75/32/374177532.db2.gz CUXDPQSURMYTHN-HBNTYKKESA-N 1 2 294.373 -1.614 20 0 CAADLO CO[C@@H]1CN(C(=O)C(=O)N2CC[NH+](C)CC2)[C@](C)(CO)C1 ZINC000632719864 374177972 /nfs/dbraw/zinc/17/79/72/374177972.db2.gz MUXHDQZOBDEIFR-FZMZJTMJSA-N 1 2 299.371 -1.241 20 0 CAADLO CO[C@H]1CN(C(=O)C(=O)N2CC[NH+](C)CC2)[C@@](C)(CO)C1 ZINC000632719863 374178538 /nfs/dbraw/zinc/17/85/38/374178538.db2.gz MUXHDQZOBDEIFR-BXUZGUMPSA-N 1 2 299.371 -1.241 20 0 CAADLO C[C@@H]1CN(C(=O)C(=O)N(C)Cc2[nH]cc[nH+]2)CC(=O)N1 ZINC000632753553 374178608 /nfs/dbraw/zinc/17/86/08/374178608.db2.gz HZUOLJCVWZUVON-MRVPVSSYSA-N 1 2 279.300 -1.285 20 0 CAADLO C[C@@H](C(=O)NC(C)(C)C)[N@@H+]1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC000246723488 374200202 /nfs/dbraw/zinc/20/02/02/374200202.db2.gz UVHXINYVCPBDIP-UWVGGRQHSA-N 1 2 296.371 -1.068 20 0 CAADLO C[C@@H](C(=O)NC(C)(C)C)[N@H+]1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC000246723488 374200209 /nfs/dbraw/zinc/20/02/09/374200209.db2.gz UVHXINYVCPBDIP-UWVGGRQHSA-N 1 2 296.371 -1.068 20 0 CAADLO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)C1CS(=O)(=O)C1 ZINC000633443158 374187983 /nfs/dbraw/zinc/18/79/83/374187983.db2.gz GWCLKLLURIXICQ-VHSXEESVSA-N 1 2 290.385 -1.056 20 0 CAADLO C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)C1CS(=O)(=O)C1 ZINC000633443158 374187993 /nfs/dbraw/zinc/18/79/93/374187993.db2.gz GWCLKLLURIXICQ-VHSXEESVSA-N 1 2 290.385 -1.056 20 0 CAADLO C[C@@H]1C[N@H+](CCO)CCN1C(=O)Cc1ncn[nH]1 ZINC000633369411 374188286 /nfs/dbraw/zinc/18/82/86/374188286.db2.gz QKDPHMWEHRHKHY-SECBINFHSA-N 1 2 253.306 -1.128 20 0 CAADLO C[C@@H]1C[N@@H+](CCO)CCN1C(=O)Cc1ncn[nH]1 ZINC000633369411 374188296 /nfs/dbraw/zinc/18/82/96/374188296.db2.gz QKDPHMWEHRHKHY-SECBINFHSA-N 1 2 253.306 -1.128 20 0 CAADLO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)C1CS(=O)(=O)C1 ZINC000633443156 374189036 /nfs/dbraw/zinc/18/90/36/374189036.db2.gz GWCLKLLURIXICQ-NXEZZACHSA-N 1 2 290.385 -1.056 20 0 CAADLO C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C(=O)C1CS(=O)(=O)C1 ZINC000633443156 374189039 /nfs/dbraw/zinc/18/90/39/374189039.db2.gz GWCLKLLURIXICQ-NXEZZACHSA-N 1 2 290.385 -1.056 20 0 CAADLO O=C(N[C@H]1CCC[N@@H+](CCCO)C1)C1CS(=O)(=O)C1 ZINC000633255891 374189130 /nfs/dbraw/zinc/18/91/30/374189130.db2.gz GNRFVIDNILHQKK-NSHDSACASA-N 1 2 290.385 -1.006 20 0 CAADLO O=C(N[C@H]1CCC[N@H+](CCCO)C1)C1CS(=O)(=O)C1 ZINC000633255891 374189133 /nfs/dbraw/zinc/18/91/33/374189133.db2.gz GNRFVIDNILHQKK-NSHDSACASA-N 1 2 290.385 -1.006 20 0 CAADLO O=C(CO)N1CC[NH+](CCn2ccccc2=O)CC1 ZINC000678082587 545607903 /nfs/dbraw/zinc/60/79/03/545607903.db2.gz SPUPLCLQBCRFGO-UHFFFAOYSA-N 1 2 265.313 -1.015 20 0 CAADLO CN(CC(=O)N[C@@H]1C[N@@H+](CCF)C[C@H]1O)C(=O)C1CC1 ZINC001193489127 781970219 /nfs/dbraw/zinc/97/02/19/781970219.db2.gz TXNJEIPTKUDEHE-GHMZBOCLSA-N 1 2 287.335 -1.014 20 0 CAADLO CN(CC(=O)N[C@@H]1C[N@H+](CCF)C[C@H]1O)C(=O)C1CC1 ZINC001193489127 781970216 /nfs/dbraw/zinc/97/02/16/781970216.db2.gz TXNJEIPTKUDEHE-GHMZBOCLSA-N 1 2 287.335 -1.014 20 0 CAADLO CCOC(=O)CN(C(=O)CN1CC[NH2+]CC1=O)C1CC1 ZINC000574758459 335045302 /nfs/dbraw/zinc/04/53/02/335045302.db2.gz ZLEAWVKXALTCJI-UHFFFAOYSA-N 1 2 283.328 -1.028 20 0 CAADLO CC(=O)NCCN(C)C(=O)CN1CC[NH2+]CC1=O ZINC000574757615 335045385 /nfs/dbraw/zinc/04/53/85/335045385.db2.gz GZBBPYNWAYOLAE-UHFFFAOYSA-N 1 2 256.306 -1.987 20 0 CAADLO CNC(=O)NCC(=O)N[C@@H]1C[N@H+](C/C=C\Cl)C[C@H]1O ZINC001193544106 781971578 /nfs/dbraw/zinc/97/15/78/781971578.db2.gz GWYTWEOODZPSFH-BNEREYBLSA-N 1 2 290.751 -1.171 20 0 CAADLO CNC(=O)NCC(=O)N[C@@H]1C[N@@H+](C/C=C\Cl)C[C@H]1O ZINC001193544106 781971586 /nfs/dbraw/zinc/97/15/86/781971586.db2.gz GWYTWEOODZPSFH-BNEREYBLSA-N 1 2 290.751 -1.171 20 0 CAADLO CNC(=O)NCC(=O)N[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@H]1O ZINC001193527571 781972430 /nfs/dbraw/zinc/97/24/30/781972430.db2.gz GSDVOOMODCZXOB-HRDYMLBCSA-N 1 2 299.331 -3.035 20 0 CAADLO CNC(=O)NCC(=O)N[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@H]1O ZINC001193527571 781972433 /nfs/dbraw/zinc/97/24/33/781972433.db2.gz GSDVOOMODCZXOB-HRDYMLBCSA-N 1 2 299.331 -3.035 20 0 CAADLO COC(=O)[C@@H]1C[C@H]1C(=O)NC[C@H](O)C[NH+]1CCOCC1 ZINC000342529267 252125738 /nfs/dbraw/zinc/12/57/38/252125738.db2.gz OMMQBDIVLZYSID-HBNTYKKESA-N 1 2 286.328 -1.395 20 0 CAADLO CC(=O)[C@H](NC(=O)C[N@@H+]1CC[C@](O)(C(N)=O)C1)C(C)C ZINC000312690935 252089690 /nfs/dbraw/zinc/08/96/90/252089690.db2.gz QKRRWIHDEHEOGU-DGCLKSJQSA-N 1 2 285.344 -1.362 20 0 CAADLO CC(=O)[C@H](NC(=O)C[N@H+]1CC[C@](O)(C(N)=O)C1)C(C)C ZINC000312690935 252089694 /nfs/dbraw/zinc/08/96/94/252089694.db2.gz QKRRWIHDEHEOGU-DGCLKSJQSA-N 1 2 285.344 -1.362 20 0 CAADLO Cn1c(CN2C[C@H]3OCC[N@H+](C)[C@H]3C2)cc(=O)n(C)c1=O ZINC000328605321 252090302 /nfs/dbraw/zinc/09/03/02/252090302.db2.gz JKLBTUXINGSMMZ-NWDGAFQWSA-N 1 2 294.355 -1.401 20 0 CAADLO Cn1c(CN2C[C@H]3OCC[N@@H+](C)[C@H]3C2)cc(=O)n(C)c1=O ZINC000328605321 252090305 /nfs/dbraw/zinc/09/03/05/252090305.db2.gz JKLBTUXINGSMMZ-NWDGAFQWSA-N 1 2 294.355 -1.401 20 0 CAADLO Nc1nc(N)nc(SC[C@@H](O)C[NH+]2CCOCC2)n1 ZINC000312114248 252090622 /nfs/dbraw/zinc/09/06/22/252090622.db2.gz OGYDTGXNINDEQA-ZETCQYMHSA-N 1 2 286.361 -1.179 20 0 CAADLO C[C@@H]1CO[C@H](CO)C[N@@H+]1CCS(=O)(=O)N(C)C ZINC000310291434 252090640 /nfs/dbraw/zinc/09/06/40/252090640.db2.gz KPUZGXCSLIDONK-ZJUUUORDSA-N 1 2 266.363 -1.041 20 0 CAADLO C[C@@H]1CO[C@H](CO)C[N@H+]1CCS(=O)(=O)N(C)C ZINC000310291434 252090645 /nfs/dbraw/zinc/09/06/45/252090645.db2.gz KPUZGXCSLIDONK-ZJUUUORDSA-N 1 2 266.363 -1.041 20 0 CAADLO Cn1cc(C[N@@H+]2CCN3C(=O)C(=O)NC[C@H]3C2)cn1 ZINC000328616717 252091285 /nfs/dbraw/zinc/09/12/85/252091285.db2.gz STOJWYJJCVLNOX-JTQLQIEISA-N 1 2 263.301 -1.437 20 0 CAADLO Cn1cc(C[N@H+]2CCN3C(=O)C(=O)NC[C@H]3C2)cn1 ZINC000328616717 252091289 /nfs/dbraw/zinc/09/12/89/252091289.db2.gz STOJWYJJCVLNOX-JTQLQIEISA-N 1 2 263.301 -1.437 20 0 CAADLO Cc1cc(N2CC[C@H]([NH+]3C[C@H](O)[C@@H](O)C3)C2=O)n(C)n1 ZINC000328612509 252091447 /nfs/dbraw/zinc/09/14/47/252091447.db2.gz PMVPQTZFRJPHJP-DCAQKATOSA-N 1 2 280.328 -1.129 20 0 CAADLO O=C1CCCN1CC[N@@H+]1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC000328684336 252091745 /nfs/dbraw/zinc/09/17/45/252091745.db2.gz WQABYQKMGHJSJC-SNVBAGLBSA-N 1 2 280.328 -1.749 20 0 CAADLO O=C1CCCN1CC[N@H+]1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC000328684336 252091751 /nfs/dbraw/zinc/09/17/51/252091751.db2.gz WQABYQKMGHJSJC-SNVBAGLBSA-N 1 2 280.328 -1.749 20 0 CAADLO Cn1cc(C[N@@H+]2CCN3C(=O)C(=O)NC[C@@H]3C2)cn1 ZINC000328616718 252091770 /nfs/dbraw/zinc/09/17/70/252091770.db2.gz STOJWYJJCVLNOX-SNVBAGLBSA-N 1 2 263.301 -1.437 20 0 CAADLO Cn1cc(C[N@H+]2CCN3C(=O)C(=O)NC[C@@H]3C2)cn1 ZINC000328616718 252091773 /nfs/dbraw/zinc/09/17/73/252091773.db2.gz STOJWYJJCVLNOX-SNVBAGLBSA-N 1 2 263.301 -1.437 20 0 CAADLO Cc1cc(N2CC[C@H]([N@H+]3C[C@@H](O)[C@@H](O)C3)C2=O)n(C)n1 ZINC000328612514 252091977 /nfs/dbraw/zinc/09/19/77/252091977.db2.gz PMVPQTZFRJPHJP-GARJFASQSA-N 1 2 280.328 -1.129 20 0 CAADLO Cc1cc(N2CC[C@H]([N@@H+]3C[C@@H](O)[C@@H](O)C3)C2=O)n(C)n1 ZINC000328612514 252091982 /nfs/dbraw/zinc/09/19/82/252091982.db2.gz PMVPQTZFRJPHJP-GARJFASQSA-N 1 2 280.328 -1.129 20 0 CAADLO O=C1NC[C@H]2C[N@H+](CCn3ccnc3)CCN2C1=O ZINC000328613463 252092435 /nfs/dbraw/zinc/09/24/35/252092435.db2.gz QJPXHVPPMXWZQX-JTQLQIEISA-N 1 2 263.301 -1.474 20 0 CAADLO O=C1NC[C@H]2C[N@@H+](CCn3ccnc3)CCN2C1=O ZINC000328613463 252092439 /nfs/dbraw/zinc/09/24/39/252092439.db2.gz QJPXHVPPMXWZQX-JTQLQIEISA-N 1 2 263.301 -1.474 20 0 CAADLO O=C1NC[C@H]2CN(CCn3cc[nH+]c3)CCN2C1=O ZINC000328613463 252092441 /nfs/dbraw/zinc/09/24/41/252092441.db2.gz QJPXHVPPMXWZQX-JTQLQIEISA-N 1 2 263.301 -1.474 20 0 CAADLO C[C@H](NC(=O)C[N@@H+]1CCC[C@H]2C(=O)NC[C@H]21)C(=O)N(C)C ZINC000330394708 252093412 /nfs/dbraw/zinc/09/34/12/252093412.db2.gz DHQHFETWVFGTND-HBNTYKKESA-N 1 2 296.371 -1.210 20 0 CAADLO C[C@H](NC(=O)C[N@H+]1CCC[C@H]2C(=O)NC[C@H]21)C(=O)N(C)C ZINC000330394708 252093414 /nfs/dbraw/zinc/09/34/14/252093414.db2.gz DHQHFETWVFGTND-HBNTYKKESA-N 1 2 296.371 -1.210 20 0 CAADLO COC(=O)[C@H]1COCCN1C[C@H](O)C[NH+]1CCOCC1 ZINC000330366683 252093804 /nfs/dbraw/zinc/09/38/04/252093804.db2.gz YIKWGNIFMAPDCY-VXGBXAGGSA-N 1 2 288.344 -1.447 20 0 CAADLO COC(=O)[C@H]1COCCN1C[C@@H](O)C[NH+]1CCOCC1 ZINC000330366681 252093982 /nfs/dbraw/zinc/09/39/82/252093982.db2.gz YIKWGNIFMAPDCY-NWDGAFQWSA-N 1 2 288.344 -1.447 20 0 CAADLO O=C([C@H]1COCCO1)N(CCO)CC[NH+]1CCOCC1 ZINC000328921811 252094055 /nfs/dbraw/zinc/09/40/55/252094055.db2.gz MIBGXXLYFJUUNT-GFCCVEGCSA-N 1 2 288.344 -1.445 20 0 CAADLO Cn1c[nH+]cc1CN1CCN(CCS(N)(=O)=O)CC1 ZINC000330366126 252094316 /nfs/dbraw/zinc/09/43/16/252094316.db2.gz XDTJNKQZWRWGMS-UHFFFAOYSA-N 1 2 287.389 -1.174 20 0 CAADLO CCS(=O)(=O)NCC[N@@H+]1CCC[C@H]1CS(N)(=O)=O ZINC000330367203 252094657 /nfs/dbraw/zinc/09/46/57/252094657.db2.gz PPXFQDJNSNDQJN-VIFPVBQESA-N 1 2 299.418 -1.321 20 0 CAADLO CCS(=O)(=O)NCC[N@H+]1CCC[C@H]1CS(N)(=O)=O ZINC000330367203 252094660 /nfs/dbraw/zinc/09/46/60/252094660.db2.gz PPXFQDJNSNDQJN-VIFPVBQESA-N 1 2 299.418 -1.321 20 0 CAADLO CN(CC[NH+]1CCOCC1)C(=O)CN1C(=O)CN(C)C1=O ZINC000328884293 252095045 /nfs/dbraw/zinc/09/50/45/252095045.db2.gz YKYDJLOCVGQYHG-UHFFFAOYSA-N 1 2 298.343 -1.329 20 0 CAADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@H]1COCCO1 ZINC000328949308 252095057 /nfs/dbraw/zinc/09/50/57/252095057.db2.gz WNGAEXIVQVTBHW-NWDGAFQWSA-N 1 2 288.344 -1.447 20 0 CAADLO C[C@@H](C(=O)N[C@H](CO)C[NH+]1CCOCC1)n1cncn1 ZINC000330467815 252095398 /nfs/dbraw/zinc/09/53/98/252095398.db2.gz YCSIIAPSBHYOAK-QWRGUYRKSA-N 1 2 283.332 -1.352 20 0 CAADLO O=C(N[C@H](CO)C[NH+]1CCOCC1)[C@H]1CCCO1 ZINC000330467843 252095462 /nfs/dbraw/zinc/09/54/62/252095462.db2.gz YGOXDFGELVKSES-WDEREUQCSA-N 1 2 258.318 -1.025 20 0 CAADLO O=C(N[C@@H](CO)C[NH+]1CCOCC1)[C@H]1CCOC1 ZINC000330469892 252095563 /nfs/dbraw/zinc/09/55/63/252095563.db2.gz ZNHCGGBLRHBTCV-WDEREUQCSA-N 1 2 258.318 -1.168 20 0 CAADLO O=C(N[C@H](CO)C[NH+]1CCOCC1)c1ccn[nH]1 ZINC000330449579 252095718 /nfs/dbraw/zinc/09/57/18/252095718.db2.gz JFFUKBRHFNAZGR-VIFPVBQESA-N 1 2 254.290 -1.167 20 0 CAADLO Cn1nccc1C(=O)N[C@H](CO)C[NH+]1CCOCC1 ZINC000330450983 252095957 /nfs/dbraw/zinc/09/59/57/252095957.db2.gz JYGQOKAJEKMAHN-JTQLQIEISA-N 1 2 268.317 -1.157 20 0 CAADLO COCC(=O)N1CC[NH+](CCN2C(=O)CNC2=O)CC1 ZINC000330461451 252095992 /nfs/dbraw/zinc/09/59/92/252095992.db2.gz WWSVAZQIUDAWAV-UHFFFAOYSA-N 1 2 284.316 -1.467 20 0 CAADLO CN(CC[NH+]1CCOCC1)C(=O)Cn1ccc(=O)[nH]c1=O ZINC000330460407 252096041 /nfs/dbraw/zinc/09/60/41/252096041.db2.gz KNQQPTVZPMCBEG-UHFFFAOYSA-N 1 2 296.327 -1.261 20 0 CAADLO COC(=O)CNC(=O)C[N@@H+]1CCC[C@@H](NC(C)=O)C1 ZINC000330432417 252096124 /nfs/dbraw/zinc/09/61/24/252096124.db2.gz OFEITOBNFQGAOK-SNVBAGLBSA-N 1 2 271.317 -1.124 20 0 CAADLO COC(=O)CNC(=O)C[N@H+]1CCC[C@@H](NC(C)=O)C1 ZINC000330432417 252096127 /nfs/dbraw/zinc/09/61/27/252096127.db2.gz OFEITOBNFQGAOK-SNVBAGLBSA-N 1 2 271.317 -1.124 20 0 CAADLO Cn1cc(CC(=O)N[C@H](CO)C[NH+]2CCOCC2)cn1 ZINC000330456224 252096750 /nfs/dbraw/zinc/09/67/50/252096750.db2.gz NPVLNASNAGOGAF-LBPRGKRZSA-N 1 2 282.344 -1.228 20 0 CAADLO CC(=O)N[C@H](C)C(=O)N[C@H](CO)C[NH+]1CCOCC1 ZINC000330456194 252096841 /nfs/dbraw/zinc/09/68/41/252096841.db2.gz NOFVOYMUKRBQBN-KOLCDFICSA-N 1 2 273.333 -1.680 20 0 CAADLO O=C(N[C@H](CO)C[NH+]1CCOCC1)[C@H]1CCOC1 ZINC000330469891 252096853 /nfs/dbraw/zinc/09/68/53/252096853.db2.gz ZNHCGGBLRHBTCV-QWRGUYRKSA-N 1 2 258.318 -1.168 20 0 CAADLO O=C(N[C@@H](CO)C[NH+]1CCOCC1)[C@H]1CCCO1 ZINC000330467840 252096951 /nfs/dbraw/zinc/09/69/51/252096951.db2.gz YGOXDFGELVKSES-GHMZBOCLSA-N 1 2 258.318 -1.025 20 0 CAADLO C[C@@H](C(=O)NCCCNS(C)(=O)=O)[NH+]1CCOCC1 ZINC000330468133 252096967 /nfs/dbraw/zinc/09/69/67/252096967.db2.gz UACCQOXXCPAOAK-JTQLQIEISA-N 1 2 293.389 -1.237 20 0 CAADLO CNC(=O)C(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000330502209 252097713 /nfs/dbraw/zinc/09/77/13/252097713.db2.gz WJBYESWZIITLPW-UHFFFAOYSA-N 1 2 292.343 -1.539 20 0 CAADLO CCS(=O)(=O)NCC(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000330471320 252098275 /nfs/dbraw/zinc/09/82/75/252098275.db2.gz DXDVRCBZWSMXOP-SNVBAGLBSA-N 1 2 293.389 -1.237 20 0 CAADLO CCS(=O)(=O)NCC(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000330471320 252098279 /nfs/dbraw/zinc/09/82/79/252098279.db2.gz DXDVRCBZWSMXOP-SNVBAGLBSA-N 1 2 293.389 -1.237 20 0 CAADLO COC(=O)C[C@H]1C(=O)NCCN1CC[NH+]1CCOCC1 ZINC000330498838 252098655 /nfs/dbraw/zinc/09/86/55/252098655.db2.gz DOUXERFHSPRUMH-NSHDSACASA-N 1 2 285.344 -1.318 20 0 CAADLO COC(=O)C[C@@H]1C(=O)NCCN1CC[NH+]1CCOCC1 ZINC000330498837 252098739 /nfs/dbraw/zinc/09/87/39/252098739.db2.gz DOUXERFHSPRUMH-LLVKDONJSA-N 1 2 285.344 -1.318 20 0 CAADLO Cn1cccc(C(=O)N[C@@H](CO)C[NH+]2CCOCC2)c1=O ZINC000330577206 252099338 /nfs/dbraw/zinc/09/93/38/252099338.db2.gz GWYFFDVKLJWMQL-LLVKDONJSA-N 1 2 295.339 -1.192 20 0 CAADLO O=C(CO)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000330536004 252099448 /nfs/dbraw/zinc/09/94/48/252099448.db2.gz DZDLSOXRCJYHEE-UHFFFAOYSA-N 1 2 265.317 -1.293 20 0 CAADLO C[C@@H](O)C(=O)N1CC[NH+](CCCN2C(=O)CNC2=O)CC1 ZINC000330546049 252099613 /nfs/dbraw/zinc/09/96/13/252099613.db2.gz CBAHXQFZQGUYKU-SNVBAGLBSA-N 1 2 298.343 -1.342 20 0 CAADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H]1COCCN1C ZINC000330554520 252099828 /nfs/dbraw/zinc/09/98/28/252099828.db2.gz GFDOTMFSTYPOOX-WDEREUQCSA-N 1 2 296.327 -1.059 20 0 CAADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H]1COCCN1C ZINC000330554520 252099831 /nfs/dbraw/zinc/09/98/31/252099831.db2.gz GFDOTMFSTYPOOX-WDEREUQCSA-N 1 2 296.327 -1.059 20 0 CAADLO CC(=O)N(C)CC(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000330553268 252099849 /nfs/dbraw/zinc/09/98/49/252099849.db2.gz UHXULMBATGCDGT-LBPRGKRZSA-N 1 2 287.360 -1.384 20 0 CAADLO C[C@@H](C(=O)NC(N)=O)[N@H+](C)CC(=O)N1CCOCC1 ZINC000330575902 252100582 /nfs/dbraw/zinc/10/05/82/252100582.db2.gz GHRMBWIQANXHGW-QMMMGPOBSA-N 1 2 272.305 -1.226 20 0 CAADLO C[C@@H](C(=O)NC(N)=O)[N@@H+](C)CC(=O)N1CCOCC1 ZINC000330575902 252100587 /nfs/dbraw/zinc/10/05/87/252100587.db2.gz GHRMBWIQANXHGW-QMMMGPOBSA-N 1 2 272.305 -1.226 20 0 CAADLO C[C@H](O)C(=O)N1CC[NH+](C[C@@H](O)CN2CCCC2=O)CC1 ZINC000330589229 252101070 /nfs/dbraw/zinc/10/10/70/252101070.db2.gz UPDKKTYDOVSVGC-NWDGAFQWSA-N 1 2 299.371 -1.505 20 0 CAADLO C[N@H+](CCc1cnccn1)CC(=O)N1CCNC(=O)C1 ZINC000330625438 252101093 /nfs/dbraw/zinc/10/10/93/252101093.db2.gz HQMLGIPXYJSKOW-UHFFFAOYSA-N 1 2 277.328 -1.091 20 0 CAADLO C[N@@H+](CCc1cnccn1)CC(=O)N1CCNC(=O)C1 ZINC000330625438 252101096 /nfs/dbraw/zinc/10/10/96/252101096.db2.gz HQMLGIPXYJSKOW-UHFFFAOYSA-N 1 2 277.328 -1.091 20 0 CAADLO C[C@@H]1C[C@@H](C(=O)N[C@@H](CO)C[NH+]2CCOCC2)CC(=O)N1 ZINC000330585731 252101262 /nfs/dbraw/zinc/10/12/62/252101262.db2.gz LOOZQRDPJDAFIM-IJLUTSLNSA-N 1 2 299.371 -1.290 20 0 CAADLO CCS(=O)(=O)NCCC[NH+]1CCN(C(=O)CO)CC1 ZINC000330584682 252101725 /nfs/dbraw/zinc/10/17/25/252101725.db2.gz MKTMBGZIGTVQHV-UHFFFAOYSA-N 1 2 293.389 -1.548 20 0 CAADLO C[C@@H](NC(=O)C[N@H+](C)[C@@H]1COC[C@H]1O)C(=O)N(C)C ZINC000330604054 252101815 /nfs/dbraw/zinc/10/18/15/252101815.db2.gz IKIDFCDMLYTXML-OPRDCNLKSA-N 1 2 273.333 -1.729 20 0 CAADLO C[C@@H](NC(=O)C[N@@H+](C)[C@@H]1COC[C@H]1O)C(=O)N(C)C ZINC000330604054 252101819 /nfs/dbraw/zinc/10/18/19/252101819.db2.gz IKIDFCDMLYTXML-OPRDCNLKSA-N 1 2 273.333 -1.729 20 0 CAADLO C[C@@H](O)C(=O)N1CC[NH+](CCn2cncn2)CC1 ZINC000330580528 252101981 /nfs/dbraw/zinc/10/19/81/252101981.db2.gz QEQBXLZDJGALDS-SNVBAGLBSA-N 1 2 253.306 -1.197 20 0 CAADLO C[C@@H]1C[C@@H](C(=O)N[C@H](CO)C[NH+]2CCOCC2)CC(=O)N1 ZINC000330585732 252102032 /nfs/dbraw/zinc/10/20/32/252102032.db2.gz LOOZQRDPJDAFIM-UTUOFQBUSA-N 1 2 299.371 -1.290 20 0 CAADLO COC(=O)C1(O)CC[NH+](CC(=O)N2CCNC(=O)C2)CC1 ZINC000330608451 252102237 /nfs/dbraw/zinc/10/22/37/252102237.db2.gz QMGZCJOGNCTSLO-UHFFFAOYSA-N 1 2 299.327 -2.055 20 0 CAADLO COC(=O)CN(C)C(=O)CC[N@@H+]1CCNC(=O)C1 ZINC000330701890 252103111 /nfs/dbraw/zinc/10/31/11/252103111.db2.gz OLCWZPQJHQMTFT-UHFFFAOYSA-N 1 2 257.290 -1.560 20 0 CAADLO COC(=O)CN(C)C(=O)CC[N@H+]1CCNC(=O)C1 ZINC000330701890 252103114 /nfs/dbraw/zinc/10/31/14/252103114.db2.gz OLCWZPQJHQMTFT-UHFFFAOYSA-N 1 2 257.290 -1.560 20 0 CAADLO CC(C)NC(=O)C[N@H+](C)CC(=O)N1C[C@H](O)C[C@H]1CO ZINC000330695516 252103201 /nfs/dbraw/zinc/10/32/01/252103201.db2.gz CCUNTPDOAJCNED-WDEREUQCSA-N 1 2 287.360 -1.603 20 0 CAADLO CC(C)NC(=O)C[N@@H+](C)CC(=O)N1C[C@H](O)C[C@H]1CO ZINC000330695516 252103203 /nfs/dbraw/zinc/10/32/03/252103203.db2.gz CCUNTPDOAJCNED-WDEREUQCSA-N 1 2 287.360 -1.603 20 0 CAADLO CNS(=O)(=O)CCC[N@@H+]1CCO[C@H](C(=O)OC)C1 ZINC000330705078 252103943 /nfs/dbraw/zinc/10/39/43/252103943.db2.gz RUARTMRVQCZKBV-VIFPVBQESA-N 1 2 280.346 -1.201 20 0 CAADLO CNS(=O)(=O)CCC[N@H+]1CCO[C@H](C(=O)OC)C1 ZINC000330705078 252103945 /nfs/dbraw/zinc/10/39/45/252103945.db2.gz RUARTMRVQCZKBV-VIFPVBQESA-N 1 2 280.346 -1.201 20 0 CAADLO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+]1CCC(=O)N1CCOCC1 ZINC000330685751 252104016 /nfs/dbraw/zinc/10/40/16/252104016.db2.gz UTVAZOWFKNEYHT-MNOVXSKESA-N 1 2 286.328 -1.157 20 0 CAADLO COC(=O)[C@@H]1C[C@@H](O)C[N@H+]1CCC(=O)N1CCOCC1 ZINC000330685751 252104018 /nfs/dbraw/zinc/10/40/18/252104018.db2.gz UTVAZOWFKNEYHT-MNOVXSKESA-N 1 2 286.328 -1.157 20 0 CAADLO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+]1CCCS(=O)(=O)N(C)C ZINC000330678564 252104194 /nfs/dbraw/zinc/10/41/94/252104194.db2.gz MFVGVSSGXUKQLP-ZJUUUORDSA-N 1 2 294.373 -1.124 20 0 CAADLO COC(=O)[C@@H]1C[C@@H](O)C[N@H+]1CCCS(=O)(=O)N(C)C ZINC000330678564 252104198 /nfs/dbraw/zinc/10/41/98/252104198.db2.gz MFVGVSSGXUKQLP-ZJUUUORDSA-N 1 2 294.373 -1.124 20 0 CAADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)CS(=O)(=O)N(C)C ZINC000330795492 252104986 /nfs/dbraw/zinc/10/49/86/252104986.db2.gz AOTOZGPUGVBUMM-JTQLQIEISA-N 1 2 293.389 -1.285 20 0 CAADLO CN1CN(CC(=O)NCC(C)(C)[NH+]2CCOCC2)CC1=O ZINC000330722999 252105127 /nfs/dbraw/zinc/10/51/27/252105127.db2.gz YJWDTPHMTQDBIG-UHFFFAOYSA-N 1 2 298.387 -1.055 20 0 CAADLO CCC(=O)N[C@H]1CCC[N@H+](CC(=O)N2CCNC(=O)C2)C1 ZINC000330774452 252105211 /nfs/dbraw/zinc/10/52/11/252105211.db2.gz XZJXSWWXIHVCGT-NSHDSACASA-N 1 2 296.371 -1.065 20 0 CAADLO CCC(=O)N[C@H]1CCC[N@@H+](CC(=O)N2CCNC(=O)C2)C1 ZINC000330774452 252105213 /nfs/dbraw/zinc/10/52/13/252105213.db2.gz XZJXSWWXIHVCGT-NSHDSACASA-N 1 2 296.371 -1.065 20 0 CAADLO CNS(=O)(=O)CCC[N@@H+]1CCO[C@H](CNC(C)=O)C1 ZINC000330795526 252105221 /nfs/dbraw/zinc/10/52/21/252105221.db2.gz AQFRYPPEKIROQT-LLVKDONJSA-N 1 2 293.389 -1.237 20 0 CAADLO CNS(=O)(=O)CCC[N@H+]1CCO[C@H](CNC(C)=O)C1 ZINC000330795526 252105222 /nfs/dbraw/zinc/10/52/22/252105222.db2.gz AQFRYPPEKIROQT-LLVKDONJSA-N 1 2 293.389 -1.237 20 0 CAADLO CCNC(=O)CC(=O)NCC[NH+]1CCN(C(C)=O)CC1 ZINC000330772343 252105313 /nfs/dbraw/zinc/10/53/13/252105313.db2.gz DHLVKJFNLVZDDI-UHFFFAOYSA-N 1 2 284.360 -1.207 20 0 CAADLO COCC(=O)N1CC[NH+](C[C@@H](O)CN2CCCC2=O)CC1 ZINC000330724380 252105356 /nfs/dbraw/zinc/10/53/56/252105356.db2.gz GUDNEGHIMVPRML-GFCCVEGCSA-N 1 2 299.371 -1.240 20 0 CAADLO CC(C)NC(=O)C[N@H+](C)CC(=O)N[C@H]1CNC(=O)C1 ZINC000330766302 252105388 /nfs/dbraw/zinc/10/53/88/252105388.db2.gz UVCDHFWIRZGQRQ-SECBINFHSA-N 1 2 270.333 -1.553 20 0 CAADLO CC(C)NC(=O)C[N@@H+](C)CC(=O)N[C@H]1CNC(=O)C1 ZINC000330766302 252105392 /nfs/dbraw/zinc/10/53/92/252105392.db2.gz UVCDHFWIRZGQRQ-SECBINFHSA-N 1 2 270.333 -1.553 20 0 CAADLO Cc1nc(C(=O)NCCC[N@@H+]2CCNC(=O)C2)no1 ZINC000330738628 252105471 /nfs/dbraw/zinc/10/54/71/252105471.db2.gz ZOYQRCHZNZKQMJ-UHFFFAOYSA-N 1 2 267.289 -1.070 20 0 CAADLO Cc1nc(C(=O)NCCC[N@H+]2CCNC(=O)C2)no1 ZINC000330738628 252105473 /nfs/dbraw/zinc/10/54/73/252105473.db2.gz ZOYQRCHZNZKQMJ-UHFFFAOYSA-N 1 2 267.289 -1.070 20 0 CAADLO CC(C)NC(=O)C[NH+]1CCN(Cc2nnnn2C)CC1 ZINC000330769239 252105488 /nfs/dbraw/zinc/10/54/88/252105488.db2.gz ZGXICJBNGZDLOA-UHFFFAOYSA-N 1 2 281.364 -1.148 20 0 CAADLO CC(C)COC[C@@H](O)C[NH+]1CCN(S(N)(=O)=O)CC1 ZINC000330745658 252105665 /nfs/dbraw/zinc/10/56/65/252105665.db2.gz RQQVPBGGNAOLTM-NSHDSACASA-N 1 2 295.405 -1.159 20 0 CAADLO COC(=O)[C@@H]1C[N@H+](C[C@@](C)(O)C(=O)OC)CCO1 ZINC000330739134 252106362 /nfs/dbraw/zinc/10/63/62/252106362.db2.gz PRFWJLZYKVZFDK-GZMMTYOYSA-N 1 2 261.274 -1.216 20 0 CAADLO COC(=O)[C@@H]1C[N@@H+](C[C@@](C)(O)C(=O)OC)CCO1 ZINC000330739134 252106365 /nfs/dbraw/zinc/10/63/65/252106365.db2.gz PRFWJLZYKVZFDK-GZMMTYOYSA-N 1 2 261.274 -1.216 20 0 CAADLO C[C@H](NC(=O)C[N@@H+]1CCSC[C@@H]1CO)C(=O)N(C)C ZINC000330835095 252106866 /nfs/dbraw/zinc/10/68/66/252106866.db2.gz KIOQBOWNAPZSQU-UWVGGRQHSA-N 1 2 289.401 -1.011 20 0 CAADLO C[C@H](NC(=O)C[N@H+]1CCSC[C@@H]1CO)C(=O)N(C)C ZINC000330835095 252106869 /nfs/dbraw/zinc/10/68/69/252106869.db2.gz KIOQBOWNAPZSQU-UWVGGRQHSA-N 1 2 289.401 -1.011 20 0 CAADLO C[C@H]1COCC[N@@H+]1CCNC(=O)CS(=O)(=O)N(C)C ZINC000330847487 252107223 /nfs/dbraw/zinc/10/72/23/252107223.db2.gz YBNTXUCNHUCSQL-JTQLQIEISA-N 1 2 293.389 -1.285 20 0 CAADLO C[C@H]1COCC[N@H+]1CCNC(=O)CS(=O)(=O)N(C)C ZINC000330847487 252107228 /nfs/dbraw/zinc/10/72/28/252107228.db2.gz YBNTXUCNHUCSQL-JTQLQIEISA-N 1 2 293.389 -1.285 20 0 CAADLO CC[C@@H](O)CCNc1nc(NC(C)C)nc(NCCO)[nH+]1 ZINC000342642965 252126435 /nfs/dbraw/zinc/12/64/35/252126435.db2.gz ZUJRLSAMBFPRGX-SNVBAGLBSA-N 1 2 298.391 -1.065 20 0 CAADLO COCC[NH+]1CCN(C(=O)CS(=O)(=O)N(C)C)CC1 ZINC000330839066 252107803 /nfs/dbraw/zinc/10/78/03/252107803.db2.gz UTEWVWNRRKCCMZ-UHFFFAOYSA-N 1 2 293.389 -1.332 20 0 CAADLO COC(=O)[C@@](C)(O)C[NH+]1CCN(C(=O)[C@H](C)O)CC1 ZINC000330847700 252107859 /nfs/dbraw/zinc/10/78/59/252107859.db2.gz OOXMAUFDWOGDDA-CABZTGNLSA-N 1 2 274.317 -1.565 20 0 CAADLO CC[C@@H](O)CCNc1nc(NCCO)nc(NC(C)C)[nH+]1 ZINC000342642965 252126441 /nfs/dbraw/zinc/12/64/41/252126441.db2.gz ZUJRLSAMBFPRGX-SNVBAGLBSA-N 1 2 298.391 -1.065 20 0 CAADLO C[C@H](CNC(=O)CS(=O)(=O)N(C)C)[NH+]1CCOCC1 ZINC000330803643 252107907 /nfs/dbraw/zinc/10/79/07/252107907.db2.gz GJSONDIXCKHDRR-SNVBAGLBSA-N 1 2 293.389 -1.285 20 0 CAADLO CS(=O)(=O)CC(=O)N[C@@H](CO)C[NH+]1CCCCC1 ZINC000330832040 252107928 /nfs/dbraw/zinc/10/79/28/252107928.db2.gz HDSRRMTUHKCKOY-SNVBAGLBSA-N 1 2 278.374 -1.006 20 0 CAADLO C[C@@H](NC(=O)C[N@@H+]1CCSC[C@H]1CO)C(=O)N(C)C ZINC000330835094 252108029 /nfs/dbraw/zinc/10/80/29/252108029.db2.gz KIOQBOWNAPZSQU-NXEZZACHSA-N 1 2 289.401 -1.011 20 0 CAADLO C[C@@H](NC(=O)C[N@H+]1CCSC[C@H]1CO)C(=O)N(C)C ZINC000330835094 252108032 /nfs/dbraw/zinc/10/80/32/252108032.db2.gz KIOQBOWNAPZSQU-NXEZZACHSA-N 1 2 289.401 -1.011 20 0 CAADLO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+]1C[C@@](C)(O)C(=O)OC ZINC000330815411 252108045 /nfs/dbraw/zinc/10/80/45/252108045.db2.gz CXYQTIQVJWBEKK-VHSKPIJISA-N 1 2 261.274 -1.481 20 0 CAADLO COC(=O)[C@@H]1C[C@@H](O)C[N@H+]1C[C@@](C)(O)C(=O)OC ZINC000330815411 252108048 /nfs/dbraw/zinc/10/80/48/252108048.db2.gz CXYQTIQVJWBEKK-VHSKPIJISA-N 1 2 261.274 -1.481 20 0 CAADLO CC[C@@H](O)CCNc1nc(NCCO)[nH+]c(NC(C)C)n1 ZINC000342642965 252126444 /nfs/dbraw/zinc/12/64/44/252126444.db2.gz ZUJRLSAMBFPRGX-SNVBAGLBSA-N 1 2 298.391 -1.065 20 0 CAADLO C[C@H](NC(=O)C[N@H+](C)[C@]1(CO)CCOC1)C(=O)N(C)C ZINC000330886339 252108787 /nfs/dbraw/zinc/10/87/87/252108787.db2.gz DUGKKRXSKGQOOW-GWCFXTLKSA-N 1 2 287.360 -1.338 20 0 CAADLO C[C@H](NC(=O)C[N@@H+](C)[C@]1(CO)CCOC1)C(=O)N(C)C ZINC000330886339 252108790 /nfs/dbraw/zinc/10/87/90/252108790.db2.gz DUGKKRXSKGQOOW-GWCFXTLKSA-N 1 2 287.360 -1.338 20 0 CAADLO C[C@H](NC(=O)C[N@H+](C)[C@@]1(CO)CCOC1)C(=O)N(C)C ZINC000330886340 252109438 /nfs/dbraw/zinc/10/94/38/252109438.db2.gz DUGKKRXSKGQOOW-GXFFZTMASA-N 1 2 287.360 -1.338 20 0 CAADLO C[C@H](NC(=O)C[N@@H+](C)[C@@]1(CO)CCOC1)C(=O)N(C)C ZINC000330886340 252109440 /nfs/dbraw/zinc/10/94/40/252109440.db2.gz DUGKKRXSKGQOOW-GXFFZTMASA-N 1 2 287.360 -1.338 20 0 CAADLO CCOC(=O)[C@@](C)(O)C[NH+]1CCN(S(N)(=O)=O)CC1 ZINC000330926927 252110658 /nfs/dbraw/zinc/11/06/58/252110658.db2.gz WCYQNOYGDXBRNC-JTQLQIEISA-N 1 2 295.361 -1.878 20 0 CAADLO CCOC(=O)[C@](C)(O)C[NH+]1CCN(S(N)(=O)=O)CC1 ZINC000330926941 252111039 /nfs/dbraw/zinc/11/10/39/252111039.db2.gz WCYQNOYGDXBRNC-SNVBAGLBSA-N 1 2 295.361 -1.878 20 0 CAADLO CCOC(=O)C1(O)CC[NH+](CCNS(C)(=O)=O)CC1 ZINC000330989614 252111965 /nfs/dbraw/zinc/11/19/65/252111965.db2.gz MMKLIWKNJLIHEX-UHFFFAOYSA-N 1 2 294.373 -1.074 20 0 CAADLO CC(C)OCC[C@@H](O)C[NH+]1CCN(S(N)(=O)=O)CC1 ZINC000331000821 252112307 /nfs/dbraw/zinc/11/23/07/252112307.db2.gz NWDGBYLQUHFRMS-LLVKDONJSA-N 1 2 295.405 -1.017 20 0 CAADLO COC(=O)[C@](C)(O)C[NH+]1CCN(C(=O)CO)CC1 ZINC000331175436 252113204 /nfs/dbraw/zinc/11/32/04/252113204.db2.gz JRTYWOLGNYYSPF-LLVKDONJSA-N 1 2 260.290 -1.953 20 0 CAADLO C[C@@H](C(=O)NCCC(=O)NC(N)=O)[NH+]1CCOCC1 ZINC000331018370 252113230 /nfs/dbraw/zinc/11/32/30/252113230.db2.gz ZEKNZTGCOTUFPM-QMMMGPOBSA-N 1 2 272.305 -1.178 20 0 CAADLO COC(=O)[C@@H]1CNC(=O)CN1C(=O)CCc1c[nH+]cn1C ZINC000331044678 252113309 /nfs/dbraw/zinc/11/33/09/252113309.db2.gz GVLJYUMCLZWWEY-JTQLQIEISA-N 1 2 294.311 -1.147 20 0 CAADLO COC(=O)CNC(=O)C[N@@H+]1C[C@@H]2OCCN(C)[C@H]2C1 ZINC000331155183 252113358 /nfs/dbraw/zinc/11/33/58/252113358.db2.gz DDKXIXXICCUFML-UWVGGRQHSA-N 1 2 271.317 -1.710 20 0 CAADLO COC(=O)CNC(=O)C[N@H+]1C[C@@H]2OCCN(C)[C@H]2C1 ZINC000331155183 252113360 /nfs/dbraw/zinc/11/33/60/252113360.db2.gz DDKXIXXICCUFML-UWVGGRQHSA-N 1 2 271.317 -1.710 20 0 CAADLO COC(=O)CNC(=O)CN1C[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000331155183 252113362 /nfs/dbraw/zinc/11/33/62/252113362.db2.gz DDKXIXXICCUFML-UWVGGRQHSA-N 1 2 271.317 -1.710 20 0 CAADLO COC(=O)CNC(=O)CN1C[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000331155183 252113365 /nfs/dbraw/zinc/11/33/65/252113365.db2.gz DDKXIXXICCUFML-UWVGGRQHSA-N 1 2 271.317 -1.710 20 0 CAADLO COC(=O)CNC(=O)[C@@H](C)[N@@H+]1CCN2C(=O)NC[C@@H]2C1 ZINC000331185686 252113415 /nfs/dbraw/zinc/11/34/15/252113415.db2.gz OMPPRYWZQPNDEJ-RKDXNWHRSA-N 1 2 284.316 -1.422 20 0 CAADLO COC(=O)CNC(=O)[C@@H](C)[N@H+]1CCN2C(=O)NC[C@@H]2C1 ZINC000331185686 252113417 /nfs/dbraw/zinc/11/34/17/252113417.db2.gz OMPPRYWZQPNDEJ-RKDXNWHRSA-N 1 2 284.316 -1.422 20 0 CAADLO COC(=O)c1cn(CC(=O)NC[C@@H]2C[N@H+](C)CCO2)nn1 ZINC000331030546 252114526 /nfs/dbraw/zinc/11/45/26/252114526.db2.gz FRMPRQQDNXPVCH-SECBINFHSA-N 1 2 297.315 -1.489 20 0 CAADLO COC(=O)c1cn(CC(=O)NC[C@@H]2C[N@@H+](C)CCO2)nn1 ZINC000331030546 252114528 /nfs/dbraw/zinc/11/45/28/252114528.db2.gz FRMPRQQDNXPVCH-SECBINFHSA-N 1 2 297.315 -1.489 20 0 CAADLO CNS(=O)(=O)CC(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000331218752 252115154 /nfs/dbraw/zinc/11/51/54/252115154.db2.gz AAODLRVSTSZEEP-VIFPVBQESA-N 1 2 279.362 -1.628 20 0 CAADLO CNS(=O)(=O)CC(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000331218752 252115157 /nfs/dbraw/zinc/11/51/57/252115157.db2.gz AAODLRVSTSZEEP-VIFPVBQESA-N 1 2 279.362 -1.628 20 0 CAADLO CN(C[C@@H]1C[N@H+](CCO)CCO1)c1nccn(C)c1=O ZINC000331223963 252115493 /nfs/dbraw/zinc/11/54/93/252115493.db2.gz DOCNRIOWRBOZKQ-LLVKDONJSA-N 1 2 282.344 -1.090 20 0 CAADLO CN(C[C@@H]1C[N@@H+](CCO)CCO1)c1nccn(C)c1=O ZINC000331223963 252115496 /nfs/dbraw/zinc/11/54/96/252115496.db2.gz DOCNRIOWRBOZKQ-LLVKDONJSA-N 1 2 282.344 -1.090 20 0 CAADLO CNS(=O)(=O)CC(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000331228059 252115681 /nfs/dbraw/zinc/11/56/81/252115681.db2.gz GHFROCWGMVICHR-SECBINFHSA-N 1 2 279.362 -1.628 20 0 CAADLO CNS(=O)(=O)CC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000331228060 252115731 /nfs/dbraw/zinc/11/57/31/252115731.db2.gz GHFROCWGMVICHR-VIFPVBQESA-N 1 2 279.362 -1.628 20 0 CAADLO COC(=O)CNC(=O)[C@H](C)[N@@H+]1C[C@H]2OCCN(C)[C@@H]2C1 ZINC000331203572 252116505 /nfs/dbraw/zinc/11/65/05/252116505.db2.gz RKUTYGQPCOAEDM-HBNTYKKESA-N 1 2 285.344 -1.321 20 0 CAADLO COC(=O)CNC(=O)[C@H](C)[N@H+]1C[C@H]2OCCN(C)[C@@H]2C1 ZINC000331203572 252116508 /nfs/dbraw/zinc/11/65/08/252116508.db2.gz RKUTYGQPCOAEDM-HBNTYKKESA-N 1 2 285.344 -1.321 20 0 CAADLO COC(=O)CNC(=O)[C@H](C)N1C[C@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000331203572 252116512 /nfs/dbraw/zinc/11/65/12/252116512.db2.gz RKUTYGQPCOAEDM-HBNTYKKESA-N 1 2 285.344 -1.321 20 0 CAADLO COC(=O)CNC(=O)[C@H](C)N1C[C@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000331203572 252116516 /nfs/dbraw/zinc/11/65/16/252116516.db2.gz RKUTYGQPCOAEDM-HBNTYKKESA-N 1 2 285.344 -1.321 20 0 CAADLO CNS(=O)(=O)CC(=O)N1CC[N@H+](CCOC)[C@@H](C)C1 ZINC000331249803 252116524 /nfs/dbraw/zinc/11/65/24/252116524.db2.gz RZEHTHALLCTPBI-JTQLQIEISA-N 1 2 293.389 -1.285 20 0 CAADLO CNS(=O)(=O)CC(=O)N1CC[N@@H+](CCOC)[C@@H](C)C1 ZINC000331249803 252116526 /nfs/dbraw/zinc/11/65/26/252116526.db2.gz RZEHTHALLCTPBI-JTQLQIEISA-N 1 2 293.389 -1.285 20 0 CAADLO COC(=O)[C@@](C)(O)C[N@@H+]1CCO[C@H](CNC(C)=O)C1 ZINC000331201369 252116592 /nfs/dbraw/zinc/11/65/92/252116592.db2.gz VMEWLKJVVMAEBH-PWSUYJOCSA-N 1 2 274.317 -1.253 20 0 CAADLO COC(=O)[C@@](C)(O)C[N@H+]1CCO[C@H](CNC(C)=O)C1 ZINC000331201369 252116597 /nfs/dbraw/zinc/11/65/97/252116597.db2.gz VMEWLKJVVMAEBH-PWSUYJOCSA-N 1 2 274.317 -1.253 20 0 CAADLO C[C@@H](C(=O)NCC(=O)NCCO)[NH+]1CCSCC1 ZINC000331267938 252117594 /nfs/dbraw/zinc/11/75/94/252117594.db2.gz KANWEIVHGOKAPX-VIFPVBQESA-N 1 2 275.374 -1.352 20 0 CAADLO COC(=O)[C@H]1[C@@H](O)CCC[N@@H+]1CCN1C(=O)CNC1=O ZINC000331281449 252117616 /nfs/dbraw/zinc/11/76/16/252117616.db2.gz CFCHKXMJFNOHJY-WCBMZHEXSA-N 1 2 285.300 -1.259 20 0 CAADLO COC(=O)[C@H]1[C@@H](O)CCC[N@H+]1CCN1C(=O)CNC1=O ZINC000331281449 252117618 /nfs/dbraw/zinc/11/76/18/252117618.db2.gz CFCHKXMJFNOHJY-WCBMZHEXSA-N 1 2 285.300 -1.259 20 0 CAADLO CCNC(=O)C[NH+]1CCN(Cc2nnn(C)n2)CC1 ZINC000331283955 252117669 /nfs/dbraw/zinc/11/76/69/252117669.db2.gz GZAGGQIFXGMQFI-UHFFFAOYSA-N 1 2 267.337 -1.536 20 0 CAADLO CC[N@H+](CC(=O)N[C@H](C)C(=O)N(C)C)[C@H]1CCNC1=O ZINC000331313113 252117895 /nfs/dbraw/zinc/11/78/95/252117895.db2.gz WDJPKUKBOLRQEG-ZJUUUORDSA-N 1 2 284.360 -1.210 20 0 CAADLO CC[N@@H+](CC(=O)N[C@H](C)C(=O)N(C)C)[C@H]1CCNC1=O ZINC000331313113 252117901 /nfs/dbraw/zinc/11/79/01/252117901.db2.gz WDJPKUKBOLRQEG-ZJUUUORDSA-N 1 2 284.360 -1.210 20 0 CAADLO Cn1cc(S(=O)(=O)NCC[N@H+]2C[C@@H](O)[C@@H](O)C2)cn1 ZINC000331284236 252118095 /nfs/dbraw/zinc/11/80/95/252118095.db2.gz FLJCWYZHZNKHPC-AOOOYVTPSA-N 1 2 290.345 -2.264 20 0 CAADLO Cn1cc(S(=O)(=O)NCC[N@@H+]2C[C@@H](O)[C@@H](O)C2)cn1 ZINC000331284236 252118097 /nfs/dbraw/zinc/11/80/97/252118097.db2.gz FLJCWYZHZNKHPC-AOOOYVTPSA-N 1 2 290.345 -2.264 20 0 CAADLO CC[N@H+](CC(=O)N[C@H](C)C(=O)N(C)C)[C@@H]1CCNC1=O ZINC000331313110 252118113 /nfs/dbraw/zinc/11/81/13/252118113.db2.gz WDJPKUKBOLRQEG-NXEZZACHSA-N 1 2 284.360 -1.210 20 0 CAADLO CC[N@@H+](CC(=O)N[C@H](C)C(=O)N(C)C)[C@@H]1CCNC1=O ZINC000331313110 252118117 /nfs/dbraw/zinc/11/81/17/252118117.db2.gz WDJPKUKBOLRQEG-NXEZZACHSA-N 1 2 284.360 -1.210 20 0 CAADLO CNS(=O)(=O)CCC[N@@H+]1CCC[C@H](O)[C@H]1C(=O)OC ZINC000331305416 252118186 /nfs/dbraw/zinc/11/81/86/252118186.db2.gz USKGTQOQCLZRHR-UWVGGRQHSA-N 1 2 294.373 -1.076 20 0 CAADLO CNS(=O)(=O)CCC[N@H+]1CCC[C@H](O)[C@H]1C(=O)OC ZINC000331305416 252118189 /nfs/dbraw/zinc/11/81/89/252118189.db2.gz USKGTQOQCLZRHR-UWVGGRQHSA-N 1 2 294.373 -1.076 20 0 CAADLO CNC(=O)C[N@H+](C)CCNS(=O)(=O)c1cnn(C)c1 ZINC000331271428 252118365 /nfs/dbraw/zinc/11/83/65/252118365.db2.gz NFHBTTRLCGLCOQ-UHFFFAOYSA-N 1 2 289.361 -1.624 20 0 CAADLO CNC(=O)C[N@@H+](C)CCNS(=O)(=O)c1cnn(C)c1 ZINC000331271428 252118369 /nfs/dbraw/zinc/11/83/69/252118369.db2.gz NFHBTTRLCGLCOQ-UHFFFAOYSA-N 1 2 289.361 -1.624 20 0 CAADLO C[C@@H](NS(C)(=O)=O)C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000340728534 252120613 /nfs/dbraw/zinc/12/06/13/252120613.db2.gz YHMGBJSTIJRQTK-VHSXEESVSA-N 1 2 293.389 -1.239 20 0 CAADLO C[C@@H](NS(C)(=O)=O)C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000340728534 252120615 /nfs/dbraw/zinc/12/06/15/252120615.db2.gz YHMGBJSTIJRQTK-VHSXEESVSA-N 1 2 293.389 -1.239 20 0 CAADLO C[N@@H+]1CCO[C@@H](CNC(=O)N2CCN3C(=O)NC[C@H]3C2)C1 ZINC000332936166 252120969 /nfs/dbraw/zinc/12/09/69/252120969.db2.gz WSUJVSXHMBWHRI-QWRGUYRKSA-N 1 2 297.359 -1.264 20 0 CAADLO C[N@H+]1CCO[C@@H](CNC(=O)N2CCN3C(=O)NC[C@H]3C2)C1 ZINC000332936166 252120974 /nfs/dbraw/zinc/12/09/74/252120974.db2.gz WSUJVSXHMBWHRI-QWRGUYRKSA-N 1 2 297.359 -1.264 20 0 CAADLO CN1C[C@H](NC(=O)NC[C@H]2C[N@H+](C)CCO2)CC1=O ZINC000332972088 252121029 /nfs/dbraw/zinc/12/10/29/252121029.db2.gz MDUZZYSIFGCLOS-ZJUUUORDSA-N 1 2 270.333 -1.153 20 0 CAADLO CN1C[C@H](NC(=O)NC[C@H]2C[N@@H+](C)CCO2)CC1=O ZINC000332972088 252121032 /nfs/dbraw/zinc/12/10/32/252121032.db2.gz MDUZZYSIFGCLOS-ZJUUUORDSA-N 1 2 270.333 -1.153 20 0 CAADLO CC(C)OC[C@H](O)C[N@@H+]1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC000332739723 252121631 /nfs/dbraw/zinc/12/16/31/252121631.db2.gz YKLDENOMYVONEB-GHMZBOCLSA-N 1 2 285.344 -1.585 20 0 CAADLO CC(C)OC[C@H](O)C[N@H+]1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC000332739723 252121634 /nfs/dbraw/zinc/12/16/34/252121634.db2.gz YKLDENOMYVONEB-GHMZBOCLSA-N 1 2 285.344 -1.585 20 0 CAADLO C[C@H](NS(C)(=O)=O)C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000340728533 252121772 /nfs/dbraw/zinc/12/17/72/252121772.db2.gz YHMGBJSTIJRQTK-UWVGGRQHSA-N 1 2 293.389 -1.239 20 0 CAADLO C[C@H](NS(C)(=O)=O)C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000340728533 252121777 /nfs/dbraw/zinc/12/17/77/252121777.db2.gz YHMGBJSTIJRQTK-UWVGGRQHSA-N 1 2 293.389 -1.239 20 0 CAADLO C[N@H+](CC(=O)NC(C(N)=O)C(N)=O)Cc1ccccc1 ZINC000342383323 252122313 /nfs/dbraw/zinc/12/23/13/252122313.db2.gz DYLKUTVTLXTBHM-UHFFFAOYSA-N 1 2 278.312 -1.426 20 0 CAADLO C[N@@H+](CC(=O)NC(C(N)=O)C(N)=O)Cc1ccccc1 ZINC000342383323 252122314 /nfs/dbraw/zinc/12/23/14/252122314.db2.gz DYLKUTVTLXTBHM-UHFFFAOYSA-N 1 2 278.312 -1.426 20 0 CAADLO CC(C)Nc1nc(NCCO)[nH+]c(NC[C@H](C)CCO)n1 ZINC000342417774 252122661 /nfs/dbraw/zinc/12/26/61/252122661.db2.gz VTXCBOZZIADQEL-SNVBAGLBSA-N 1 2 298.391 -1.208 20 0 CAADLO CC(C)Nc1nc(NCCO)nc(NC[C@H](C)CCO)[nH+]1 ZINC000342417774 252122662 /nfs/dbraw/zinc/12/26/62/252122662.db2.gz VTXCBOZZIADQEL-SNVBAGLBSA-N 1 2 298.391 -1.208 20 0 CAADLO CC(C)Nc1nc(NC[C@H](C)CCO)nc(NCCO)[nH+]1 ZINC000342417774 252122667 /nfs/dbraw/zinc/12/26/67/252122667.db2.gz VTXCBOZZIADQEL-SNVBAGLBSA-N 1 2 298.391 -1.208 20 0 CAADLO CNC(=O)N[C@@H]1CC[N@@H+]([C@H]2CC(=O)N(CCOC)C2=O)C1 ZINC000342442746 252122821 /nfs/dbraw/zinc/12/28/21/252122821.db2.gz BBLDQXZXAOEBQS-ZJUUUORDSA-N 1 2 298.343 -1.236 20 0 CAADLO CNC(=O)N[C@@H]1CC[N@H+]([C@H]2CC(=O)N(CCOC)C2=O)C1 ZINC000342442746 252122824 /nfs/dbraw/zinc/12/28/24/252122824.db2.gz BBLDQXZXAOEBQS-ZJUUUORDSA-N 1 2 298.343 -1.236 20 0 CAADLO CS(=O)(=O)N[C@@H]1CC[N@H+](CC(=O)N2CCNC2=O)C1 ZINC000342447143 252122950 /nfs/dbraw/zinc/12/29/50/252122950.db2.gz LXKWZQASESRFLU-MRVPVSSYSA-N 1 2 290.345 -1.838 20 0 CAADLO CS(=O)(=O)N[C@@H]1CC[N@@H+](CC(=O)N2CCNC2=O)C1 ZINC000342447143 252122955 /nfs/dbraw/zinc/12/29/55/252122955.db2.gz LXKWZQASESRFLU-MRVPVSSYSA-N 1 2 290.345 -1.838 20 0 CAADLO CNC(=O)N[C@H]1CC[N@@H+]([C@H]2CC(=O)N(C)C2=O)C1 ZINC000342456012 252123445 /nfs/dbraw/zinc/12/34/45/252123445.db2.gz RGOTUOFPZLNUKS-YUMQZZPRSA-N 1 2 254.290 -1.253 20 0 CAADLO CNC(=O)N[C@H]1CC[N@H+]([C@H]2CC(=O)N(C)C2=O)C1 ZINC000342456012 252123449 /nfs/dbraw/zinc/12/34/49/252123449.db2.gz RGOTUOFPZLNUKS-YUMQZZPRSA-N 1 2 254.290 -1.253 20 0 CAADLO CC[C@@H](CCO)Nc1nc(NCCO)[nH+]c(NC(C)C)n1 ZINC000342374071 252123636 /nfs/dbraw/zinc/12/36/36/252123636.db2.gz KDKXALHYHYSZBT-JTQLQIEISA-N 1 2 298.391 -1.065 20 0 CAADLO CC[C@@H](CCO)Nc1nc(NC(C)C)nc(NCCO)[nH+]1 ZINC000342374071 252123641 /nfs/dbraw/zinc/12/36/41/252123641.db2.gz KDKXALHYHYSZBT-JTQLQIEISA-N 1 2 298.391 -1.065 20 0 CAADLO CC[C@@H](CCO)Nc1nc(NCCO)nc(NC(C)C)[nH+]1 ZINC000342374071 252123644 /nfs/dbraw/zinc/12/36/44/252123644.db2.gz KDKXALHYHYSZBT-JTQLQIEISA-N 1 2 298.391 -1.065 20 0 CAADLO CCNC(=O)NC(=O)C[N@@H+]1CC[C@H](NC(=O)NC)C1 ZINC000342381939 252123760 /nfs/dbraw/zinc/12/37/60/252123760.db2.gz VSECPUUGJUZILI-QMMMGPOBSA-N 1 2 271.321 -1.165 20 0 CAADLO CCNC(=O)NC(=O)C[N@H+]1CC[C@H](NC(=O)NC)C1 ZINC000342381939 252123765 /nfs/dbraw/zinc/12/37/65/252123765.db2.gz VSECPUUGJUZILI-QMMMGPOBSA-N 1 2 271.321 -1.165 20 0 CAADLO CC[N@@H+]1CCOC[C@H]1C(=O)N1CC[C@@H](NC(N)=O)C1 ZINC000342533365 252124342 /nfs/dbraw/zinc/12/43/42/252124342.db2.gz BQJHGVAVLRMEMH-ZJUUUORDSA-N 1 2 270.333 -1.024 20 0 CAADLO CC[N@H+]1CCOC[C@H]1C(=O)N1CC[C@@H](NC(N)=O)C1 ZINC000342533365 252124345 /nfs/dbraw/zinc/12/43/45/252124345.db2.gz BQJHGVAVLRMEMH-ZJUUUORDSA-N 1 2 270.333 -1.024 20 0 CAADLO C[C@@H](C(=O)NC(N)=O)[N@@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000342485569 252124471 /nfs/dbraw/zinc/12/44/71/252124471.db2.gz WDOUSJJXWWVFGJ-NKWVEPMBSA-N 1 2 278.334 -1.807 20 0 CAADLO C[C@@H](C(=O)NC(N)=O)[N@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000342485569 252124474 /nfs/dbraw/zinc/12/44/74/252124474.db2.gz WDOUSJJXWWVFGJ-NKWVEPMBSA-N 1 2 278.334 -1.807 20 0 CAADLO COC(=O)[C@@H]1C[C@H]1C(=O)NC[C@@H](O)C[NH+]1CCOCC1 ZINC000342529266 252125021 /nfs/dbraw/zinc/12/50/21/252125021.db2.gz OMMQBDIVLZYSID-GMTAPVOTSA-N 1 2 286.328 -1.395 20 0 CAADLO CC[N@@H+]1CCOC[C@H]1C(=O)N1CC[C@H](NC(N)=O)C1 ZINC000342533360 252125114 /nfs/dbraw/zinc/12/51/14/252125114.db2.gz BQJHGVAVLRMEMH-UWVGGRQHSA-N 1 2 270.333 -1.024 20 0 CAADLO CC[N@H+]1CCOC[C@H]1C(=O)N1CC[C@H](NC(N)=O)C1 ZINC000342533360 252125117 /nfs/dbraw/zinc/12/51/17/252125117.db2.gz BQJHGVAVLRMEMH-UWVGGRQHSA-N 1 2 270.333 -1.024 20 0 CAADLO NC(=O)N[C@@H]1CCN(C(=O)NCC[NH+]2CCOCC2)C1 ZINC000342693751 252127543 /nfs/dbraw/zinc/12/75/43/252127543.db2.gz BUDXPHPMMWULJT-SNVBAGLBSA-N 1 2 285.348 -1.229 20 0 CAADLO COCCCNC(=O)C[N@@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000342580913 252125213 /nfs/dbraw/zinc/12/52/13/252125213.db2.gz AGHMMCICDGVVJO-SNVBAGLBSA-N 1 2 293.389 -1.237 20 0 CAADLO COCCCNC(=O)C[N@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000342580913 252125219 /nfs/dbraw/zinc/12/52/19/252125219.db2.gz AGHMMCICDGVVJO-SNVBAGLBSA-N 1 2 293.389 -1.237 20 0 CAADLO CC(C)Nc1nc(N2C[C@@H](C)[C@@H](O)C2)nc(NCCO)[nH+]1 ZINC000342549238 252125222 /nfs/dbraw/zinc/12/52/22/252125222.db2.gz RVOZFYQSASRVON-ZJUUUORDSA-N 1 2 296.375 -1.243 20 0 CAADLO CC(C)Nc1nc(NCCO)[nH+]c(N2C[C@@H](C)[C@@H](O)C2)n1 ZINC000342549238 252125226 /nfs/dbraw/zinc/12/52/26/252125226.db2.gz RVOZFYQSASRVON-ZJUUUORDSA-N 1 2 296.375 -1.243 20 0 CAADLO CC(C)Nc1nc(NCCO)nc(N2C[C@@H](C)[C@@H](O)C2)[nH+]1 ZINC000342549238 252125231 /nfs/dbraw/zinc/12/52/31/252125231.db2.gz RVOZFYQSASRVON-ZJUUUORDSA-N 1 2 296.375 -1.243 20 0 CAADLO O=C(CN1CCOCC1)NCC[NH+]1CCOCC1 ZINC000074693517 252077905 /nfs/dbraw/zinc/07/79/05/252077905.db2.gz AKHWBNAWLQSSDL-UHFFFAOYSA-N 1 2 257.334 -1.233 20 0 CAADLO CC(=O)NCC(=O)N1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1 ZINC000073419710 252077931 /nfs/dbraw/zinc/07/79/31/252077931.db2.gz FPVVSVQRAGZPPR-SNVBAGLBSA-N 1 2 296.371 -1.066 20 0 CAADLO C[C@@H](CNC(=O)CCNC(N)=O)[NH+]1CCOCC1 ZINC000073807079 252077969 /nfs/dbraw/zinc/07/79/69/252077969.db2.gz VREUDZUJBDALCD-VIFPVBQESA-N 1 2 258.322 -1.118 20 0 CAADLO C[N@@H+]1CCO[C@@H](CNC(=O)C2=NNC(=O)CC2)C1 ZINC000074884840 252078036 /nfs/dbraw/zinc/07/80/36/252078036.db2.gz LWMINFGOMXLABU-QMMMGPOBSA-N 1 2 254.290 -1.301 20 0 CAADLO C[N@H+]1CCO[C@@H](CNC(=O)C2=NNC(=O)CC2)C1 ZINC000074884840 252078039 /nfs/dbraw/zinc/07/80/39/252078039.db2.gz LWMINFGOMXLABU-QMMMGPOBSA-N 1 2 254.290 -1.301 20 0 CAADLO CC(C)NC(=O)CC[NH+]1CCN(S(N)(=O)=O)CC1 ZINC000073604614 252078175 /nfs/dbraw/zinc/07/81/75/252078175.db2.gz LNCOCNRATDVYAW-UHFFFAOYSA-N 1 2 278.378 -1.278 20 0 CAADLO Cn1nnnc1SC[C@H](O)C[NH+]1CCOCC1 ZINC000066237422 252079026 /nfs/dbraw/zinc/07/90/26/252079026.db2.gz XBKXSQFSCIJDDV-MRVPVSSYSA-N 1 2 259.335 -1.005 20 0 CAADLO CC(=O)N1CCN(C(=O)[C@@H](C)[N@@H+]2CCNC(=O)CC2)CC1 ZINC000065955150 252079143 /nfs/dbraw/zinc/07/91/43/252079143.db2.gz CFBUIMMBOOVRJS-LLVKDONJSA-N 1 2 296.371 -1.113 20 0 CAADLO CC(=O)N1CCN(C(=O)[C@@H](C)[N@H+]2CCNC(=O)CC2)CC1 ZINC000065955150 252079148 /nfs/dbraw/zinc/07/91/48/252079148.db2.gz CFBUIMMBOOVRJS-LLVKDONJSA-N 1 2 296.371 -1.113 20 0 CAADLO NC(=O)[C@H]1CN(C(=O)[C@H]2CC(F)(F)C[NH2+]2)CCO1 ZINC000263065352 252079804 /nfs/dbraw/zinc/07/98/04/252079804.db2.gz VVYMXWLUJFZYEU-RNFRBKRXSA-N 1 2 263.244 -1.304 20 0 CAADLO COCCNC(=O)CNC(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000262922887 252079827 /nfs/dbraw/zinc/07/98/27/252079827.db2.gz HCVGQJVIVKEWKI-ZETCQYMHSA-N 1 2 265.260 -1.138 20 0 CAADLO CS(=O)(=O)NCCNC(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000262964277 252080006 /nfs/dbraw/zinc/08/00/06/252080006.db2.gz KZVQSGDHGWISHQ-ZCFIWIBFSA-N 1 2 271.289 -1.351 20 0 CAADLO O=C(NCCN1C(=O)CNC1=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000263313297 252080421 /nfs/dbraw/zinc/08/04/21/252080421.db2.gz ZAOJYBIKQLFAAP-ZCFIWIBFSA-N 1 2 276.243 -1.348 20 0 CAADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)CN1CC(=O)NC1=O ZINC000264622648 252080966 /nfs/dbraw/zinc/08/09/66/252080966.db2.gz BUAGEYUDXHFXLT-VIFPVBQESA-N 1 2 284.316 -1.625 20 0 CAADLO COCCCNC(=O)C[N@@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000342580905 252125428 /nfs/dbraw/zinc/12/54/28/252125428.db2.gz AGHMMCICDGVVJO-JTQLQIEISA-N 1 2 293.389 -1.237 20 0 CAADLO COCCCNC(=O)C[N@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000342580905 252125431 /nfs/dbraw/zinc/12/54/31/252125431.db2.gz AGHMMCICDGVVJO-JTQLQIEISA-N 1 2 293.389 -1.237 20 0 CAADLO CC(C)Nc1nc(N2C[C@H](O)[C@@H](C)C2)nc(NCCO)[nH+]1 ZINC000342549233 252125575 /nfs/dbraw/zinc/12/55/75/252125575.db2.gz RVOZFYQSASRVON-UWVGGRQHSA-N 1 2 296.375 -1.243 20 0 CAADLO CC(C)Nc1nc(NCCO)[nH+]c(N2C[C@H](O)[C@@H](C)C2)n1 ZINC000342549233 252125578 /nfs/dbraw/zinc/12/55/78/252125578.db2.gz RVOZFYQSASRVON-UWVGGRQHSA-N 1 2 296.375 -1.243 20 0 CAADLO CC(C)Nc1nc(NCCO)nc(N2C[C@H](O)[C@@H](C)C2)[nH+]1 ZINC000342549233 252125580 /nfs/dbraw/zinc/12/55/80/252125580.db2.gz RVOZFYQSASRVON-UWVGGRQHSA-N 1 2 296.375 -1.243 20 0 CAADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)N1CCNC(=O)[C@@H]1C ZINC000283845631 252085339 /nfs/dbraw/zinc/08/53/39/252085339.db2.gz KDEBOPFUTFMKRW-UWVGGRQHSA-N 1 2 293.327 -1.265 20 0 CAADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)N1CCNC(=O)[C@H]1C ZINC000283845635 252085684 /nfs/dbraw/zinc/08/56/84/252085684.db2.gz KDEBOPFUTFMKRW-VHSXEESVSA-N 1 2 293.327 -1.265 20 0 CAADLO CC[N@@H+]1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 ZINC000276489654 252085820 /nfs/dbraw/zinc/08/58/20/252085820.db2.gz URBIHFZJODVXCY-UHFFFAOYSA-N 1 2 253.306 -1.032 20 0 CAADLO CC[N@H+]1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 ZINC000276489654 252085823 /nfs/dbraw/zinc/08/58/23/252085823.db2.gz URBIHFZJODVXCY-UHFFFAOYSA-N 1 2 253.306 -1.032 20 0 CAADLO C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)N1CCNC(=O)[C@@H]1C ZINC000283845640 252086109 /nfs/dbraw/zinc/08/61/09/252086109.db2.gz KDEBOPFUTFMKRW-ZJUUUORDSA-N 1 2 293.327 -1.265 20 0 CAADLO C[C@@H]1C[N@H+](CCS(=O)(=O)N(C)C)C[C@@H](CO)O1 ZINC000310209247 252086374 /nfs/dbraw/zinc/08/63/74/252086374.db2.gz JWINYAPLAGZVDJ-ZJUUUORDSA-N 1 2 266.363 -1.041 20 0 CAADLO C[C@@H]1C[N@@H+](CCS(=O)(=O)N(C)C)C[C@@H](CO)O1 ZINC000310209247 252086378 /nfs/dbraw/zinc/08/63/78/252086378.db2.gz JWINYAPLAGZVDJ-ZJUUUORDSA-N 1 2 266.363 -1.041 20 0 CAADLO C[C@H](C(=O)NC(N)=O)[N@@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000342485571 252125664 /nfs/dbraw/zinc/12/56/64/252125664.db2.gz WDOUSJJXWWVFGJ-RQJHMYQMSA-N 1 2 278.334 -1.807 20 0 CAADLO C[C@H](C(=O)NC(N)=O)[N@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000342485571 252125667 /nfs/dbraw/zinc/12/56/67/252125667.db2.gz WDOUSJJXWWVFGJ-RQJHMYQMSA-N 1 2 278.334 -1.807 20 0 CAADLO C[C@H]1C[N@H+](CC(=O)N2CCNC2=O)C[C@H](CO)O1 ZINC000299967103 252086790 /nfs/dbraw/zinc/08/67/90/252086790.db2.gz PUFBHXYSYAOXQJ-DTWKUNHWSA-N 1 2 257.290 -1.380 20 0 CAADLO C[C@H]1C[N@@H+](CC(=O)N2CCNC2=O)C[C@H](CO)O1 ZINC000299967103 252086796 /nfs/dbraw/zinc/08/67/96/252086796.db2.gz PUFBHXYSYAOXQJ-DTWKUNHWSA-N 1 2 257.290 -1.380 20 0 CAADLO CC[N@@H+]1CCOC[C@@H]1C(=O)N1CCN(CC(N)=O)CC1 ZINC000360777911 252170661 /nfs/dbraw/zinc/17/06/61/252170661.db2.gz QWQFZRZALZRZNY-LLVKDONJSA-N 1 2 284.360 -1.663 20 0 CAADLO O=S(=O)(NC[C@@H]1C[NH+]2CCN1CC2)NC1CC1 ZINC000356492987 252141264 /nfs/dbraw/zinc/14/12/64/252141264.db2.gz WYRISMRPJRSGBY-SNVBAGLBSA-N 1 2 260.363 -1.427 20 0 CAADLO CC[N@H+]1CCOC[C@@H]1C(=O)N1CCN(CC(N)=O)CC1 ZINC000360777911 252170664 /nfs/dbraw/zinc/17/06/64/252170664.db2.gz QWQFZRZALZRZNY-LLVKDONJSA-N 1 2 284.360 -1.663 20 0 CAADLO CCNS(=O)(=O)[C@H]1CC[N@@H+]([C@@H](C)C(=O)NC(N)=O)C1 ZINC000356983079 252145535 /nfs/dbraw/zinc/14/55/35/252145535.db2.gz UCTFFMVBCUKVSS-YUMQZZPRSA-N 1 2 292.361 -1.417 20 0 CAADLO CCNS(=O)(=O)[C@H]1CC[N@H+]([C@@H](C)C(=O)NC(N)=O)C1 ZINC000356983079 252145538 /nfs/dbraw/zinc/14/55/38/252145538.db2.gz UCTFFMVBCUKVSS-YUMQZZPRSA-N 1 2 292.361 -1.417 20 0 CAADLO COC(=O)[C@H]1CNC(=O)CN1C(=O)CCc1c[nH+]c[nH]1 ZINC000357151493 252147707 /nfs/dbraw/zinc/14/77/07/252147707.db2.gz KXDRREYAVSTFHV-SECBINFHSA-N 1 2 280.284 -1.158 20 0 CAADLO COC(=O)[C@H]1CNC(=O)CN1C(=O)CCc1c[nH]c[nH+]1 ZINC000357151493 252147712 /nfs/dbraw/zinc/14/77/12/252147712.db2.gz KXDRREYAVSTFHV-SECBINFHSA-N 1 2 280.284 -1.158 20 0 CAADLO O=C1C[N@H+](CCCN=c2ncnc3[nH][nH]cc2-3)CCN1 ZINC000357262975 252148330 /nfs/dbraw/zinc/14/83/30/252148330.db2.gz XCKOSQVYMYYXBK-UHFFFAOYSA-N 1 2 275.316 -1.040 20 0 CAADLO O=C1C[N@@H+](CCCN=c2ncnc3[nH][nH]cc2-3)CCN1 ZINC000357262975 252148332 /nfs/dbraw/zinc/14/83/32/252148332.db2.gz XCKOSQVYMYYXBK-UHFFFAOYSA-N 1 2 275.316 -1.040 20 0 CAADLO CCNC(=O)CC(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000357311497 252148470 /nfs/dbraw/zinc/14/84/70/252148470.db2.gz PQLBQSUQFNSLFX-LLVKDONJSA-N 1 2 287.360 -1.336 20 0 CAADLO C[N@@H+]1CCO[C@H](CNC(=O)N2C[C@@H](O)C[C@H]2CO)C1 ZINC000361390131 252171923 /nfs/dbraw/zinc/17/19/23/252171923.db2.gz LILJDYVGGKDDPA-GARJFASQSA-N 1 2 273.333 -1.546 20 0 CAADLO C[N@H+]1CCO[C@H](CNC(=O)N2C[C@@H](O)C[C@H]2CO)C1 ZINC000361390131 252171926 /nfs/dbraw/zinc/17/19/26/252171926.db2.gz LILJDYVGGKDDPA-GARJFASQSA-N 1 2 273.333 -1.546 20 0 CAADLO C[C@@H]1C[N@H+](Cc2nc3c([nH]2)n(C)c(=O)n(C)c3=O)C[C@@H]1O ZINC000357614236 252149133 /nfs/dbraw/zinc/14/91/33/252149133.db2.gz JBLHZIMPZWJBSI-SFYZADRCSA-N 1 2 293.327 -1.227 20 0 CAADLO C[C@@H]1C[N@@H+](Cc2nc3c([nH]2)n(C)c(=O)n(C)c3=O)C[C@@H]1O ZINC000357614236 252149136 /nfs/dbraw/zinc/14/91/36/252149136.db2.gz JBLHZIMPZWJBSI-SFYZADRCSA-N 1 2 293.327 -1.227 20 0 CAADLO CCOCCNC(=O)C[N@@H+]1CC[C@H](S(N)(=O)=O)C1 ZINC000357372897 252149235 /nfs/dbraw/zinc/14/92/35/252149235.db2.gz KHORFJPISLWTLU-VIFPVBQESA-N 1 2 279.362 -1.498 20 0 CAADLO CCOCCNC(=O)C[N@H+]1CC[C@H](S(N)(=O)=O)C1 ZINC000357372897 252149238 /nfs/dbraw/zinc/14/92/38/252149238.db2.gz KHORFJPISLWTLU-VIFPVBQESA-N 1 2 279.362 -1.498 20 0 CAADLO CC(C)NC(=O)C[N@H+](C)CC(=O)N1CC(CC(N)=O)C1 ZINC000357689957 252151279 /nfs/dbraw/zinc/15/12/79/252151279.db2.gz FNDDPVWWBPLHMN-UHFFFAOYSA-N 1 2 284.360 -1.223 20 0 CAADLO CC(C)NC(=O)C[N@@H+](C)CC(=O)N1CC(CC(N)=O)C1 ZINC000357689957 252151290 /nfs/dbraw/zinc/15/12/90/252151290.db2.gz FNDDPVWWBPLHMN-UHFFFAOYSA-N 1 2 284.360 -1.223 20 0 CAADLO C[C@H]1CN(S(=O)(=O)c2cnnn2C)CC[N@@H+]1CCO ZINC000358902891 252158247 /nfs/dbraw/zinc/15/82/47/252158247.db2.gz MENWGXVGCLQWJC-VIFPVBQESA-N 1 2 289.361 -1.498 20 0 CAADLO C[C@H]1CN(S(=O)(=O)c2cnnn2C)CC[N@H+]1CCO ZINC000358902891 252158249 /nfs/dbraw/zinc/15/82/49/252158249.db2.gz MENWGXVGCLQWJC-VIFPVBQESA-N 1 2 289.361 -1.498 20 0 CAADLO Cc1nc(N2CCO[C@@H](C(N)=O)C2)nc(N(C)C)[nH+]1 ZINC000359148218 252158870 /nfs/dbraw/zinc/15/88/70/252158870.db2.gz IJSDBIFNKZUSFQ-MRVPVSSYSA-N 1 2 266.305 -1.063 20 0 CAADLO Cc1nc(N(C)C)nc(N2CCO[C@@H](C(N)=O)C2)[nH+]1 ZINC000359148218 252158874 /nfs/dbraw/zinc/15/88/74/252158874.db2.gz IJSDBIFNKZUSFQ-MRVPVSSYSA-N 1 2 266.305 -1.063 20 0 CAADLO C[N@@H+]1CCO[C@H](CNC(=O)N2C[C@H](O)C[C@H]2CO)C1 ZINC000361390133 252171388 /nfs/dbraw/zinc/17/13/88/252171388.db2.gz LILJDYVGGKDDPA-HBNTYKKESA-N 1 2 273.333 -1.546 20 0 CAADLO C[N@H+]1CCO[C@H](CNC(=O)N2C[C@H](O)C[C@H]2CO)C1 ZINC000361390133 252171389 /nfs/dbraw/zinc/17/13/89/252171389.db2.gz LILJDYVGGKDDPA-HBNTYKKESA-N 1 2 273.333 -1.546 20 0 CAADLO CO[C@@H]1CC[N@H+](CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)C1 ZINC000361371059 252171432 /nfs/dbraw/zinc/17/14/32/252171432.db2.gz DRFKZSDFOARAHA-MRVPVSSYSA-N 1 2 296.327 -1.430 20 0 CAADLO CO[C@@H]1CC[N@@H+](CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)C1 ZINC000361371059 252171436 /nfs/dbraw/zinc/17/14/36/252171436.db2.gz DRFKZSDFOARAHA-MRVPVSSYSA-N 1 2 296.327 -1.430 20 0 CAADLO CCN1CCN(CC(=O)NCCc2[nH]cc[nH+]2)C(=O)C1=O ZINC000359688157 252163186 /nfs/dbraw/zinc/16/31/86/252163186.db2.gz AEAOUWJWPKGVNZ-UHFFFAOYSA-N 1 2 293.327 -1.241 20 0 CAADLO CN1CCN(c2cc(NC[C@](C)(O)CO)[nH+]cn2)CC1=O ZINC000360122987 252164192 /nfs/dbraw/zinc/16/41/92/252164192.db2.gz NFQLBRLSGIKTRV-ZDUSSCGKSA-N 1 2 295.343 -1.090 20 0 CAADLO CN1CCN(c2cc(NC[C@](C)(O)CO)nc[nH+]2)CC1=O ZINC000360122987 252164195 /nfs/dbraw/zinc/16/41/95/252164195.db2.gz NFQLBRLSGIKTRV-ZDUSSCGKSA-N 1 2 295.343 -1.090 20 0 CAADLO O=C(NC1CC1)C(=O)N1CC[NH+](C[C@@H]2COCCO2)CC1 ZINC000360013962 252164515 /nfs/dbraw/zinc/16/45/15/252164515.db2.gz BHQVWOQGJLHSBT-GFCCVEGCSA-N 1 2 297.355 -1.175 20 0 CAADLO O=C(NC1CC1)C(=O)N1CC[NH+](C[C@H]2COCCO2)CC1 ZINC000360013964 252165186 /nfs/dbraw/zinc/16/51/86/252165186.db2.gz BHQVWOQGJLHSBT-LBPRGKRZSA-N 1 2 297.355 -1.175 20 0 CAADLO Cc1c[nH+]c(CN2CCN3C(=O)C(=O)NC[C@@H]3C2)n1C ZINC000342778090 252127693 /nfs/dbraw/zinc/12/76/93/252127693.db2.gz JVOOOODSSAUFTO-SNVBAGLBSA-N 1 2 277.328 -1.129 20 0 CAADLO NC(=O)N[C@@H]1CC[N@H+](CC(=O)NC(=O)NC2CC2)C1 ZINC000342870307 252128298 /nfs/dbraw/zinc/12/82/98/252128298.db2.gz DGAWMLKVIKPVLX-MRVPVSSYSA-N 1 2 269.305 -1.283 20 0 CAADLO NC(=O)N[C@@H]1CC[N@@H+](CC(=O)NC(=O)NC2CC2)C1 ZINC000342870307 252128302 /nfs/dbraw/zinc/12/83/02/252128302.db2.gz DGAWMLKVIKPVLX-MRVPVSSYSA-N 1 2 269.305 -1.283 20 0 CAADLO CC(C)Nc1nc(N[C@H]2CNC(=O)C2)nc(NCCO)[nH+]1 ZINC000342935932 252128856 /nfs/dbraw/zinc/12/88/56/252128856.db2.gz CGSWZBUBIBBBLA-MRVPVSSYSA-N 1 2 295.347 -2.338 20 0 CAADLO CC(C)Nc1nc(NCCO)[nH+]c(N[C@H]2CNC(=O)C2)n1 ZINC000342935932 252128861 /nfs/dbraw/zinc/12/88/61/252128861.db2.gz CGSWZBUBIBBBLA-MRVPVSSYSA-N 1 2 295.347 -2.338 20 0 CAADLO CC(C)Nc1nc(NCCO)nc(N[C@H]2CNC(=O)C2)[nH+]1 ZINC000342935932 252128865 /nfs/dbraw/zinc/12/88/65/252128865.db2.gz CGSWZBUBIBBBLA-MRVPVSSYSA-N 1 2 295.347 -2.338 20 0 CAADLO CCNC(=O)NC(=O)C[N@@H+]1CC[C@H](NC(N)=O)C1 ZINC000342868742 252129172 /nfs/dbraw/zinc/12/91/72/252129172.db2.gz QNEQKBLAYMLMEA-ZETCQYMHSA-N 1 2 257.294 -1.425 20 0 CAADLO CCNC(=O)NC(=O)C[N@H+]1CC[C@H](NC(N)=O)C1 ZINC000342868742 252129174 /nfs/dbraw/zinc/12/91/74/252129174.db2.gz QNEQKBLAYMLMEA-ZETCQYMHSA-N 1 2 257.294 -1.425 20 0 CAADLO CC(C)Nc1nc(N2CC[C@](C)(O)C2)nc(NCCO)[nH+]1 ZINC000342827373 252129245 /nfs/dbraw/zinc/12/92/45/252129245.db2.gz YUJZFRRUENQVAV-ZDUSSCGKSA-N 1 2 296.375 -1.099 20 0 CAADLO CC(C)Nc1nc(NCCO)[nH+]c(N2CC[C@](C)(O)C2)n1 ZINC000342827373 252129247 /nfs/dbraw/zinc/12/92/47/252129247.db2.gz YUJZFRRUENQVAV-ZDUSSCGKSA-N 1 2 296.375 -1.099 20 0 CAADLO CC(C)Nc1nc(NCCO)nc(N2CC[C@](C)(O)C2)[nH+]1 ZINC000342827373 252129251 /nfs/dbraw/zinc/12/92/51/252129251.db2.gz YUJZFRRUENQVAV-ZDUSSCGKSA-N 1 2 296.375 -1.099 20 0 CAADLO CC(C)Nc1nc(N[C@H]2CCOC2)nc(NCCO)[nH+]1 ZINC000342779580 252129544 /nfs/dbraw/zinc/12/95/44/252129544.db2.gz KVFDRWPOHLYUIR-VIFPVBQESA-N 1 2 282.348 -1.437 20 0 CAADLO CC(C)Nc1nc(NCCO)[nH+]c(N[C@H]2CCOC2)n1 ZINC000342779580 252129549 /nfs/dbraw/zinc/12/95/49/252129549.db2.gz KVFDRWPOHLYUIR-VIFPVBQESA-N 1 2 282.348 -1.437 20 0 CAADLO CC(C)Nc1nc(NCCO)nc(N[C@H]2CCOC2)[nH+]1 ZINC000342779580 252129550 /nfs/dbraw/zinc/12/95/50/252129550.db2.gz KVFDRWPOHLYUIR-VIFPVBQESA-N 1 2 282.348 -1.437 20 0 CAADLO COC[C@H]1CN(C(=O)C(=O)NCc2[nH+]ccn2C)CCO1 ZINC000342967119 252129785 /nfs/dbraw/zinc/12/97/85/252129785.db2.gz SOKQOOWSZGNANU-SNVBAGLBSA-N 1 2 296.327 -1.090 20 0 CAADLO CC(C)Nc1nc(N[C@@H](C)C[C@@H](C)O)nc(NCCO)[nH+]1 ZINC000342830731 252129886 /nfs/dbraw/zinc/12/98/86/252129886.db2.gz KKSNDRKGXRGLRZ-VHSXEESVSA-N 1 2 298.391 -1.067 20 0 CAADLO CC(C)Nc1nc(NCCO)[nH+]c(N[C@@H](C)C[C@@H](C)O)n1 ZINC000342830731 252129892 /nfs/dbraw/zinc/12/98/92/252129892.db2.gz KKSNDRKGXRGLRZ-VHSXEESVSA-N 1 2 298.391 -1.067 20 0 CAADLO CC(C)Nc1nc(NCCO)nc(N[C@@H](C)C[C@@H](C)O)[nH+]1 ZINC000342830731 252129894 /nfs/dbraw/zinc/12/98/94/252129894.db2.gz KKSNDRKGXRGLRZ-VHSXEESVSA-N 1 2 298.391 -1.067 20 0 CAADLO CC(C)Nc1nc(N[C@H](C)C[C@H](C)O)nc(NCCO)[nH+]1 ZINC000342830732 252130045 /nfs/dbraw/zinc/13/00/45/252130045.db2.gz KKSNDRKGXRGLRZ-ZJUUUORDSA-N 1 2 298.391 -1.067 20 0 CAADLO CC(C)Nc1nc(NCCO)[nH+]c(N[C@H](C)C[C@H](C)O)n1 ZINC000342830732 252130049 /nfs/dbraw/zinc/13/00/49/252130049.db2.gz KKSNDRKGXRGLRZ-ZJUUUORDSA-N 1 2 298.391 -1.067 20 0 CAADLO CC(C)Nc1nc(NCCO)nc(N[C@H](C)C[C@H](C)O)[nH+]1 ZINC000342830732 252130052 /nfs/dbraw/zinc/13/00/52/252130052.db2.gz KKSNDRKGXRGLRZ-ZJUUUORDSA-N 1 2 298.391 -1.067 20 0 CAADLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)CN3CN=NC3=O)C[C@@H]21 ZINC000343288836 252130963 /nfs/dbraw/zinc/13/09/63/252130963.db2.gz ROEZDONJWSRBIJ-VHSXEESVSA-N 1 2 281.316 -1.085 20 0 CAADLO C[N@H+]1CCO[C@@H]2CCN(C(=O)CN3CN=NC3=O)C[C@@H]21 ZINC000343288836 252130966 /nfs/dbraw/zinc/13/09/66/252130966.db2.gz ROEZDONJWSRBIJ-VHSXEESVSA-N 1 2 281.316 -1.085 20 0 CAADLO C[N@@H+]1CCO[C@H]2CCN(C(=O)CN3CN=NC3=O)C[C@@H]21 ZINC000343288834 252131144 /nfs/dbraw/zinc/13/11/44/252131144.db2.gz ROEZDONJWSRBIJ-UWVGGRQHSA-N 1 2 281.316 -1.085 20 0 CAADLO C[N@H+]1CCO[C@H]2CCN(C(=O)CN3CN=NC3=O)C[C@@H]21 ZINC000343288834 252131146 /nfs/dbraw/zinc/13/11/46/252131146.db2.gz ROEZDONJWSRBIJ-UWVGGRQHSA-N 1 2 281.316 -1.085 20 0 CAADLO C[C@H]1CN(C(=O)C(=O)NCc2[nH+]ccn2C)C[C@H](CO)O1 ZINC000342981142 252131593 /nfs/dbraw/zinc/13/15/93/252131593.db2.gz QZUUSFFXOBOCSC-VHSXEESVSA-N 1 2 296.327 -1.356 20 0 CAADLO O=C(C(=O)N1CC[NH+](CCCCO)CC1)N1CCOCC1 ZINC000343015265 252132245 /nfs/dbraw/zinc/13/22/45/252132245.db2.gz ONOHBOFXENMFEN-UHFFFAOYSA-N 1 2 299.371 -1.238 20 0 CAADLO O=C(NCC(F)F)C(=O)N1CC[NH+](CCO)CC1 ZINC000346814176 252134057 /nfs/dbraw/zinc/13/40/57/252134057.db2.gz LVLBOUAUTLZAIH-UHFFFAOYSA-N 1 2 265.260 -1.496 20 0 CAADLO CC[C@@H](C(=O)OC)N1CC[NH+](CCS(N)(=O)=O)CC1 ZINC000352659198 252137913 /nfs/dbraw/zinc/13/79/13/252137913.db2.gz MILIALVRURAJHT-JTQLQIEISA-N 1 2 293.389 -1.156 20 0 CAADLO COC(=O)[C@H](NC(=O)C[N@H+](C)[C@@H]1COC[C@H]1O)C(C)C ZINC000352115378 252138073 /nfs/dbraw/zinc/13/80/73/252138073.db2.gz KSKMGMVZSSWVJP-CKYFFXLPSA-N 1 2 288.344 -1.008 20 0 CAADLO COC(=O)[C@H](NC(=O)C[N@@H+](C)[C@@H]1COC[C@H]1O)C(C)C ZINC000352115378 252138077 /nfs/dbraw/zinc/13/80/77/252138077.db2.gz KSKMGMVZSSWVJP-CKYFFXLPSA-N 1 2 288.344 -1.008 20 0 CAADLO COC(=O)[C@H](NC(=O)C[N@H+](C)[C@H]1COC[C@@H]1O)C(C)C ZINC000352115380 252138755 /nfs/dbraw/zinc/13/87/55/252138755.db2.gz KSKMGMVZSSWVJP-JBLDHEPKSA-N 1 2 288.344 -1.008 20 0 CAADLO COC(=O)[C@H](NC(=O)C[N@@H+](C)[C@H]1COC[C@@H]1O)C(C)C ZINC000352115380 252138758 /nfs/dbraw/zinc/13/87/58/252138758.db2.gz KSKMGMVZSSWVJP-JBLDHEPKSA-N 1 2 288.344 -1.008 20 0 CAADLO COC(=O)[C@H]1CC[C@H](C(=O)N2CC[NH+](CCO)CC2)O1 ZINC000352162426 252138901 /nfs/dbraw/zinc/13/89/01/252138901.db2.gz MWWXYXQJEBUCTD-GHMZBOCLSA-N 1 2 286.328 -1.157 20 0 CAADLO CN(CC(=O)NC[C@@H]1C[N@H+](C)CCO1)S(C)(=O)=O ZINC000363160908 252179571 /nfs/dbraw/zinc/17/95/71/252179571.db2.gz MNXJJZNNOGERQD-SECBINFHSA-N 1 2 279.362 -1.675 20 0 CAADLO CN(CC(=O)NC[C@@H]1C[N@@H+](C)CCO1)S(C)(=O)=O ZINC000363160908 252179576 /nfs/dbraw/zinc/17/95/76/252179576.db2.gz MNXJJZNNOGERQD-SECBINFHSA-N 1 2 279.362 -1.675 20 0 CAADLO C[N@@H+]1CCO[C@H](C(=O)N(C2CC2)[C@H]2CC(=O)NC2=O)C1 ZINC000363302471 252180021 /nfs/dbraw/zinc/18/00/21/252180021.db2.gz IFYYGNVSBSIIDX-UWVGGRQHSA-N 1 2 281.312 -1.277 20 0 CAADLO C[N@H+]1CCO[C@H](C(=O)N(C2CC2)[C@H]2CC(=O)NC2=O)C1 ZINC000363302471 252180022 /nfs/dbraw/zinc/18/00/22/252180022.db2.gz IFYYGNVSBSIIDX-UWVGGRQHSA-N 1 2 281.312 -1.277 20 0 CAADLO C[N@@H+]1CCO[C@@H](C(=O)N(C2CC2)[C@@H]2CC(=O)NC2=O)C1 ZINC000363302470 252180153 /nfs/dbraw/zinc/18/01/53/252180153.db2.gz IFYYGNVSBSIIDX-NXEZZACHSA-N 1 2 281.312 -1.277 20 0 CAADLO C[N@H+]1CCO[C@@H](C(=O)N(C2CC2)[C@@H]2CC(=O)NC2=O)C1 ZINC000363302470 252180156 /nfs/dbraw/zinc/18/01/56/252180156.db2.gz IFYYGNVSBSIIDX-NXEZZACHSA-N 1 2 281.312 -1.277 20 0 CAADLO CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCN2C(=O)NC[C@@H]2C1 ZINC000363600542 252180315 /nfs/dbraw/zinc/18/03/15/252180315.db2.gz NTFMIGUCMLKNHN-RKDXNWHRSA-N 1 2 283.332 -1.070 20 0 CAADLO CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCN2C(=O)NC[C@@H]2C1 ZINC000363600542 252180318 /nfs/dbraw/zinc/18/03/18/252180318.db2.gz NTFMIGUCMLKNHN-RKDXNWHRSA-N 1 2 283.332 -1.070 20 0 CAADLO C[N@@H+]1CCO[C@@H](C(=O)N(C2CC2)[C@H]2CC(=O)NC2=O)C1 ZINC000363302472 252180458 /nfs/dbraw/zinc/18/04/58/252180458.db2.gz IFYYGNVSBSIIDX-VHSXEESVSA-N 1 2 281.312 -1.277 20 0 CAADLO C[N@H+]1CCO[C@@H](C(=O)N(C2CC2)[C@H]2CC(=O)NC2=O)C1 ZINC000363302472 252180463 /nfs/dbraw/zinc/18/04/63/252180463.db2.gz IFYYGNVSBSIIDX-VHSXEESVSA-N 1 2 281.312 -1.277 20 0 CAADLO CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCN2C(=O)NC[C@@H]2C1 ZINC000363600540 252180788 /nfs/dbraw/zinc/18/07/88/252180788.db2.gz NTFMIGUCMLKNHN-DTWKUNHWSA-N 1 2 283.332 -1.070 20 0 CAADLO CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCN2C(=O)NC[C@@H]2C1 ZINC000363600540 252180792 /nfs/dbraw/zinc/18/07/92/252180792.db2.gz NTFMIGUCMLKNHN-DTWKUNHWSA-N 1 2 283.332 -1.070 20 0 CAADLO O=S(=O)(NC[C@H]1C[NH+]2CCN1CC2)N1CCC1 ZINC000367224326 252181555 /nfs/dbraw/zinc/18/15/55/252181555.db2.gz MXDQIABEOZFSRP-JTQLQIEISA-N 1 2 260.363 -1.474 20 0 CAADLO O=C1OC[C@H]2CN(C[C@@H](O)C[NH+]3CCOCC3)CCN12 ZINC000363867651 252182351 /nfs/dbraw/zinc/18/23/51/252182351.db2.gz WTBIBGQAFPNTMM-NEPJUHHUSA-N 1 2 285.344 -1.184 20 0 CAADLO O=C(Cn1cnnn1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000363939868 252182383 /nfs/dbraw/zinc/18/23/83/252182383.db2.gz PINCPPYSLPVCDO-JTQLQIEISA-N 1 2 266.305 -1.394 20 0 CAADLO NS(=O)(=O)N1CCN(C(=O)[C@@H]2CC(F)(F)C[NH2+]2)CC1 ZINC000368138809 252183347 /nfs/dbraw/zinc/18/33/47/252183347.db2.gz MCHSCNVKLHCTRA-ZETCQYMHSA-N 1 2 298.315 -1.669 20 0 CAADLO NS(=O)(=O)N1CCN(C(=O)[C@H]2CC(F)(F)C[NH2+]2)CC1 ZINC000368138808 252183582 /nfs/dbraw/zinc/18/35/82/252183582.db2.gz MCHSCNVKLHCTRA-SSDOTTSWSA-N 1 2 298.315 -1.669 20 0 CAADLO CNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCN2CCOC[C@@H]2C1 ZINC000368212779 252184011 /nfs/dbraw/zinc/18/40/11/252184011.db2.gz PYKYFWVAQSCJME-ZJUUUORDSA-N 1 2 270.333 -1.153 20 0 CAADLO CNC(=O)NC(=O)[C@@H](C)[N@H+]1CCN2CCOC[C@@H]2C1 ZINC000368212779 252184014 /nfs/dbraw/zinc/18/40/14/252184014.db2.gz PYKYFWVAQSCJME-ZJUUUORDSA-N 1 2 270.333 -1.153 20 0 CAADLO CNC(=O)NC(=O)[C@H](C)[N@@H+]1CCN2CCOC[C@@H]2C1 ZINC000368212777 252184068 /nfs/dbraw/zinc/18/40/68/252184068.db2.gz PYKYFWVAQSCJME-UWVGGRQHSA-N 1 2 270.333 -1.153 20 0 CAADLO CNC(=O)NC(=O)[C@H](C)[N@H+]1CCN2CCOC[C@@H]2C1 ZINC000368212777 252184072 /nfs/dbraw/zinc/18/40/72/252184072.db2.gz PYKYFWVAQSCJME-UWVGGRQHSA-N 1 2 270.333 -1.153 20 0 CAADLO CS(=O)(=O)NCC[NH+](CCNS(C)(=O)=O)C1CC1 ZINC000361379052 252172735 /nfs/dbraw/zinc/17/27/35/252172735.db2.gz TVFTVOZAMHNHMM-UHFFFAOYSA-N 1 2 299.418 -1.451 20 0 CAADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)N1C[C@@H](O)C[C@@H]1CO ZINC000361399118 252173080 /nfs/dbraw/zinc/17/30/80/252173080.db2.gz CRWHEHFGNVIYOX-UTUOFQBUSA-N 1 2 287.360 -1.156 20 0 CAADLO C[C@@H]1COCC[N@H+]1CCNC(=O)N1C[C@@H](O)C[C@@H]1CO ZINC000361399118 252173083 /nfs/dbraw/zinc/17/30/83/252173083.db2.gz CRWHEHFGNVIYOX-UTUOFQBUSA-N 1 2 287.360 -1.156 20 0 CAADLO O=S(=O)(CCC[NH+]1CCOCC1)N(CCO)CCO ZINC000361811576 252174298 /nfs/dbraw/zinc/17/42/98/252174298.db2.gz FLIFTYYJLKKXIG-UHFFFAOYSA-N 1 2 296.389 -1.675 20 0 CAADLO CCS(=O)(=O)NCC[N@@H+]1CCN2CCOC[C@@H]2C1 ZINC000368823104 252185523 /nfs/dbraw/zinc/18/55/23/252185523.db2.gz HOFYEOMAMFAQIO-NSHDSACASA-N 1 2 277.390 -1.058 20 0 CAADLO COC(=O)CNS(=O)(=O)CCC[NH+]1CCOCC1 ZINC000361506978 252174988 /nfs/dbraw/zinc/17/49/88/252174988.db2.gz NMWSETOKJUWZQM-UHFFFAOYSA-N 1 2 280.346 -1.199 20 0 CAADLO CCS(=O)(=O)NCC[N@H+]1CCN2CCOC[C@@H]2C1 ZINC000368823104 252185527 /nfs/dbraw/zinc/18/55/27/252185527.db2.gz HOFYEOMAMFAQIO-NSHDSACASA-N 1 2 277.390 -1.058 20 0 CAADLO NS(=O)(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000362043909 252175733 /nfs/dbraw/zinc/17/57/33/252175733.db2.gz HCVXSBDHSRZHOF-VIFPVBQESA-N 1 2 281.403 -1.013 20 0 CAADLO COC(=O)CCNC(=O)C[N@@H+]1CCN2CCOC[C@@H]2C1 ZINC000368827252 252185587 /nfs/dbraw/zinc/18/55/87/252185587.db2.gz VLWZHDPXTPRHKJ-NSHDSACASA-N 1 2 285.344 -1.318 20 0 CAADLO COC(=O)CCNC(=O)C[N@H+]1CCN2CCOC[C@@H]2C1 ZINC000368827252 252185590 /nfs/dbraw/zinc/18/55/90/252185590.db2.gz VLWZHDPXTPRHKJ-NSHDSACASA-N 1 2 285.344 -1.318 20 0 CAADLO O=C(C[N@@H+]1CCN2CCOC[C@@H]2C1)N1CCOCC1 ZINC000368827543 252186000 /nfs/dbraw/zinc/18/60/00/252186000.db2.gz XIGQVZYZLQUUIM-LBPRGKRZSA-N 1 2 269.345 -1.138 20 0 CAADLO O=C(C[N@H+]1CCN2CCOC[C@@H]2C1)N1CCOCC1 ZINC000368827543 252186004 /nfs/dbraw/zinc/18/60/04/252186004.db2.gz XIGQVZYZLQUUIM-LBPRGKRZSA-N 1 2 269.345 -1.138 20 0 CAADLO CCNC(=O)NC(=O)C[N@@H+]1CCC[C@@H](S(N)(=O)=O)C1 ZINC000368681521 252186410 /nfs/dbraw/zinc/18/64/10/252186410.db2.gz YJDDZWDNQDESSB-MRVPVSSYSA-N 1 2 292.361 -1.415 20 0 CAADLO CCNC(=O)NC(=O)C[N@H+]1CCC[C@@H](S(N)(=O)=O)C1 ZINC000368681521 252186413 /nfs/dbraw/zinc/18/64/13/252186413.db2.gz YJDDZWDNQDESSB-MRVPVSSYSA-N 1 2 292.361 -1.415 20 0 CAADLO CS(=O)(=O)NCC[N@@H+]1CCN2CCOC[C@@H]2C1 ZINC000368824851 252186603 /nfs/dbraw/zinc/18/66/03/252186603.db2.gz MIDZODQYVOEJMU-JTQLQIEISA-N 1 2 263.363 -1.448 20 0 CAADLO CS(=O)(=O)NCC[N@H+]1CCN2CCOC[C@@H]2C1 ZINC000368824851 252186606 /nfs/dbraw/zinc/18/66/06/252186606.db2.gz MIDZODQYVOEJMU-JTQLQIEISA-N 1 2 263.363 -1.448 20 0 CAADLO COC(=O)CCNC(=O)C[N@@H+]1CCNC(=O)C[C@H]1C ZINC000369441845 252187688 /nfs/dbraw/zinc/18/76/88/252187688.db2.gz WINCDZKOOMTVKF-SECBINFHSA-N 1 2 271.317 -1.124 20 0 CAADLO COC(=O)CCNC(=O)C[N@H+]1CCNC(=O)C[C@H]1C ZINC000369441845 252187693 /nfs/dbraw/zinc/18/76/93/252187693.db2.gz WINCDZKOOMTVKF-SECBINFHSA-N 1 2 271.317 -1.124 20 0 CAADLO C[C@@H]1CC(=O)NCC[N@@H+]1CC(=O)NCC(=O)N1CCCC1 ZINC000369441257 252188266 /nfs/dbraw/zinc/18/82/66/252188266.db2.gz TWPLPVWSZJPQTJ-LLVKDONJSA-N 1 2 296.371 -1.065 20 0 CAADLO C[C@@H]1CC(=O)NCC[N@H+]1CC(=O)NCC(=O)N1CCCC1 ZINC000369441257 252188269 /nfs/dbraw/zinc/18/82/69/252188269.db2.gz TWPLPVWSZJPQTJ-LLVKDONJSA-N 1 2 296.371 -1.065 20 0 CAADLO CNC(=O)C[N@@H+]1CCCN(C(=O)[C@H](C)NC(N)=O)CC1 ZINC000368839492 252188724 /nfs/dbraw/zinc/18/87/24/252188724.db2.gz USDCDBWGSCBYQG-VIFPVBQESA-N 1 2 285.348 -1.677 20 0 CAADLO CNC(=O)C[N@H+]1CCCN(C(=O)[C@H](C)NC(N)=O)CC1 ZINC000368839492 252188729 /nfs/dbraw/zinc/18/87/29/252188729.db2.gz USDCDBWGSCBYQG-VIFPVBQESA-N 1 2 285.348 -1.677 20 0 CAADLO COCCOCC[N@@H+]1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC000370615718 252190105 /nfs/dbraw/zinc/19/01/05/252190105.db2.gz ICWJHDYQZKUBEX-JTQLQIEISA-N 1 2 271.317 -1.708 20 0 CAADLO COCCOCC[N@H+]1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC000370615718 252190107 /nfs/dbraw/zinc/19/01/07/252190107.db2.gz ICWJHDYQZKUBEX-JTQLQIEISA-N 1 2 271.317 -1.708 20 0 CAADLO COCCCNC(=O)C[N@@H+]1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000371149312 252191146 /nfs/dbraw/zinc/19/11/46/252191146.db2.gz TVZNSJJWSMHCOH-ZJUUUORDSA-N 1 2 273.333 -1.286 20 0 CAADLO COCCCNC(=O)C[N@H+]1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000371149312 252191150 /nfs/dbraw/zinc/19/11/50/252191150.db2.gz TVZNSJJWSMHCOH-ZJUUUORDSA-N 1 2 273.333 -1.286 20 0 CAADLO O=C(NCCO)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000370694283 252192493 /nfs/dbraw/zinc/19/24/93/252192493.db2.gz LCNDZZOQAILTJF-LLVKDONJSA-N 1 2 285.344 -1.724 20 0 CAADLO CCS(=O)(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000371034167 252192550 /nfs/dbraw/zinc/19/25/50/252192550.db2.gz OCDYOGPDJWSKPC-NXEZZACHSA-N 1 2 293.389 -1.110 20 0 CAADLO CCS(=O)(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000371034167 252192552 /nfs/dbraw/zinc/19/25/52/252192552.db2.gz OCDYOGPDJWSKPC-NXEZZACHSA-N 1 2 293.389 -1.110 20 0 CAADLO CNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@H](S(=O)(=O)NC)C1 ZINC000372155346 252193116 /nfs/dbraw/zinc/19/31/16/252193116.db2.gz FBRCVWFJSOGJBC-JGVFFNPUSA-N 1 2 292.361 -1.546 20 0 CAADLO CNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@@H](S(=O)(=O)NC)C1 ZINC000372155346 252193121 /nfs/dbraw/zinc/19/31/21/252193121.db2.gz FBRCVWFJSOGJBC-JGVFFNPUSA-N 1 2 292.361 -1.546 20 0 CAADLO O=C(C[N@@H+]1CCN2CCOC[C@@H]2C1)N1CCNC1=O ZINC000371821843 252193237 /nfs/dbraw/zinc/19/32/37/252193237.db2.gz DTVBHBVBLHBXPJ-JTQLQIEISA-N 1 2 268.317 -1.445 20 0 CAADLO O=C(C[N@H+]1CCN2CCOC[C@@H]2C1)N1CCNC1=O ZINC000371821843 252193240 /nfs/dbraw/zinc/19/32/40/252193240.db2.gz DTVBHBVBLHBXPJ-JTQLQIEISA-N 1 2 268.317 -1.445 20 0 CAADLO CNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@H](S(=O)(=O)NC)C1 ZINC000372155348 252193359 /nfs/dbraw/zinc/19/33/59/252193359.db2.gz FBRCVWFJSOGJBC-YUMQZZPRSA-N 1 2 292.361 -1.546 20 0 CAADLO CNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@H](S(=O)(=O)NC)C1 ZINC000372155348 252193362 /nfs/dbraw/zinc/19/33/62/252193362.db2.gz FBRCVWFJSOGJBC-YUMQZZPRSA-N 1 2 292.361 -1.546 20 0 CAADLO CNS(=O)(=O)[C@H]1CC[N@H+](CC(=O)NCCCOC)C1 ZINC000372158172 252193951 /nfs/dbraw/zinc/19/39/51/252193951.db2.gz TUCIJXQRPHBZBW-JTQLQIEISA-N 1 2 293.389 -1.237 20 0 CAADLO CNS(=O)(=O)[C@H]1CC[N@@H+](CC(=O)NCCCOC)C1 ZINC000372158172 252193955 /nfs/dbraw/zinc/19/39/55/252193955.db2.gz TUCIJXQRPHBZBW-JTQLQIEISA-N 1 2 293.389 -1.237 20 0 CAADLO O=C(C[N@@H+]1CCN2CCOC[C@H]2C1)N1CCNC(=O)C1 ZINC000371835461 252194271 /nfs/dbraw/zinc/19/42/71/252194271.db2.gz STFIPNSBIUVVTI-LLVKDONJSA-N 1 2 282.344 -2.039 20 0 CAADLO O=C(C[N@H+]1CCN2CCOC[C@H]2C1)N1CCNC(=O)C1 ZINC000371835461 252194274 /nfs/dbraw/zinc/19/42/74/252194274.db2.gz STFIPNSBIUVVTI-LLVKDONJSA-N 1 2 282.344 -2.039 20 0 CAADLO CCOCCNC(=O)C[N@@H+]1CC[C@@H](S(=O)(=O)NC)C1 ZINC000372148852 252194462 /nfs/dbraw/zinc/19/44/62/252194462.db2.gz IQZGSZCGURGNDF-SNVBAGLBSA-N 1 2 293.389 -1.237 20 0 CAADLO CCOCCNC(=O)C[N@H+]1CC[C@@H](S(=O)(=O)NC)C1 ZINC000372148852 252194465 /nfs/dbraw/zinc/19/44/65/252194465.db2.gz IQZGSZCGURGNDF-SNVBAGLBSA-N 1 2 293.389 -1.237 20 0 CAADLO CC[C@H](O)C[N@@H+]1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 ZINC000372745168 252195061 /nfs/dbraw/zinc/19/50/61/252195061.db2.gz AULMGWVGBNQEGD-JTQLQIEISA-N 1 2 297.359 -1.281 20 0 CAADLO CC[C@H](O)C[N@H+]1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 ZINC000372745168 252195064 /nfs/dbraw/zinc/19/50/64/252195064.db2.gz AULMGWVGBNQEGD-JTQLQIEISA-N 1 2 297.359 -1.281 20 0 CAADLO COC(=O)[C@H]1C[C@@H]1C(=O)N1CCC[N@H+](CC(N)=O)CC1 ZINC000372562550 252195508 /nfs/dbraw/zinc/19/55/08/252195508.db2.gz FRNHBJOOSBDVOV-UWVGGRQHSA-N 1 2 283.328 -1.185 20 0 CAADLO COC(=O)[C@H]1C[C@@H]1C(=O)N1CCC[N@@H+](CC(N)=O)CC1 ZINC000372562550 252195512 /nfs/dbraw/zinc/19/55/12/252195512.db2.gz FRNHBJOOSBDVOV-UWVGGRQHSA-N 1 2 283.328 -1.185 20 0 CAADLO CC(C)OC(=O)CC[N@@H+]1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC000372695890 252195619 /nfs/dbraw/zinc/19/56/19/252195619.db2.gz SORPLNVCGNULIP-JTQLQIEISA-N 1 2 283.328 -1.029 20 0 CAADLO CC(C)OC(=O)CC[N@H+]1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC000372695890 252195624 /nfs/dbraw/zinc/19/56/24/252195624.db2.gz SORPLNVCGNULIP-JTQLQIEISA-N 1 2 283.328 -1.029 20 0 CAADLO CCS(=O)(=O)CCNC(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000372859775 252195908 /nfs/dbraw/zinc/19/59/08/252195908.db2.gz RWNCEVWTVCECPF-LLVKDONJSA-N 1 2 289.401 -1.073 20 0 CAADLO CCS(=O)(=O)CCNC(=O)[C@H]1C[N@H+]2CCN1CCC2 ZINC000372859775 252195910 /nfs/dbraw/zinc/19/59/10/252195910.db2.gz RWNCEVWTVCECPF-LLVKDONJSA-N 1 2 289.401 -1.073 20 0 CAADLO CC[N@@H+]1CCOC[C@@H]1C(=O)NCCN1C(=O)CCC1=O ZINC000372458552 252196029 /nfs/dbraw/zinc/19/60/29/252196029.db2.gz RLTGWWKOOTTZNX-SNVBAGLBSA-N 1 2 283.328 -1.028 20 0 CAADLO CC[N@H+]1CCOC[C@@H]1C(=O)NCCN1C(=O)CCC1=O ZINC000372458552 252196032 /nfs/dbraw/zinc/19/60/32/252196032.db2.gz RLTGWWKOOTTZNX-SNVBAGLBSA-N 1 2 283.328 -1.028 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC000373129279 252197453 /nfs/dbraw/zinc/19/74/53/252197453.db2.gz YMQMUYBOEPOMMH-JTQLQIEISA-N 1 2 291.373 -1.402 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC000373129279 252197458 /nfs/dbraw/zinc/19/74/58/252197458.db2.gz YMQMUYBOEPOMMH-JTQLQIEISA-N 1 2 291.373 -1.402 20 0 CAADLO C[C@@H]1OCC[C@]12C[N@H+](CC(=O)N1CCNC(=O)C1)CCO2 ZINC000373406834 252198303 /nfs/dbraw/zinc/19/83/03/252198303.db2.gz SIPLZSFMTAZBQI-FZMZJTMJSA-N 1 2 297.355 -1.175 20 0 CAADLO C[C@@H]1OCC[C@]12C[N@@H+](CC(=O)N1CCNC(=O)C1)CCO2 ZINC000373406834 252198305 /nfs/dbraw/zinc/19/83/05/252198305.db2.gz SIPLZSFMTAZBQI-FZMZJTMJSA-N 1 2 297.355 -1.175 20 0 CAADLO NC(=O)C[N@@H+]1CCCN(c2cncc(OCCO)n2)CC1 ZINC000373802416 252198330 /nfs/dbraw/zinc/19/83/30/252198330.db2.gz XZYKZWBRPREVHK-UHFFFAOYSA-N 1 2 295.343 -1.155 20 0 CAADLO NC(=O)C[N@H+]1CCCN(c2cncc(OCCO)n2)CC1 ZINC000373802416 252198332 /nfs/dbraw/zinc/19/83/32/252198332.db2.gz XZYKZWBRPREVHK-UHFFFAOYSA-N 1 2 295.343 -1.155 20 0 CAADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2COC(=O)N2)CC1 ZINC000375093172 252201386 /nfs/dbraw/zinc/20/13/86/252201386.db2.gz IIOFVOBUVUQBAL-JTQLQIEISA-N 1 2 298.343 -1.235 20 0 CAADLO CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2COC(=O)N2)CC1 ZINC000375093172 252201388 /nfs/dbraw/zinc/20/13/88/252201388.db2.gz IIOFVOBUVUQBAL-JTQLQIEISA-N 1 2 298.343 -1.235 20 0 CAADLO C[C@H](NC(=O)C[N@@H+]1CCN2CCOC[C@@H]2C1)C(=O)N(C)C ZINC000375244410 252201441 /nfs/dbraw/zinc/20/14/41/252201441.db2.gz GEVBBALHLZTCAE-RYUDHWBXSA-N 1 2 298.387 -1.404 20 0 CAADLO C[C@H](NC(=O)C[N@H+]1CCN2CCOC[C@@H]2C1)C(=O)N(C)C ZINC000375244410 252201443 /nfs/dbraw/zinc/20/14/43/252201443.db2.gz GEVBBALHLZTCAE-RYUDHWBXSA-N 1 2 298.387 -1.404 20 0 CAADLO COCCN1CCC[N@H+](CCNS(C)(=O)=O)CC1=O ZINC000375493518 252201583 /nfs/dbraw/zinc/20/15/83/252201583.db2.gz BYCLKXLTFTXDCY-UHFFFAOYSA-N 1 2 293.389 -1.284 20 0 CAADLO COCCN1CCC[N@@H+](CCNS(C)(=O)=O)CC1=O ZINC000375493518 252201585 /nfs/dbraw/zinc/20/15/85/252201585.db2.gz BYCLKXLTFTXDCY-UHFFFAOYSA-N 1 2 293.389 -1.284 20 0 CAADLO C[C@@H](NC(=O)C[N@@H+]1CCN2CCOC[C@@H]2C1)C(=O)N(C)C ZINC000375244403 252201739 /nfs/dbraw/zinc/20/17/39/252201739.db2.gz GEVBBALHLZTCAE-NEPJUHHUSA-N 1 2 298.387 -1.404 20 0 CAADLO C[C@@H](NC(=O)C[N@H+]1CCN2CCOC[C@@H]2C1)C(=O)N(C)C ZINC000375244403 252201740 /nfs/dbraw/zinc/20/17/40/252201740.db2.gz GEVBBALHLZTCAE-NEPJUHHUSA-N 1 2 298.387 -1.404 20 0 CAADLO O=C(C[N@@H+]1CCO[C@@]2(CCCOC2)C1)N1CCNC(=O)C1 ZINC000375692272 252201999 /nfs/dbraw/zinc/20/19/99/252201999.db2.gz ZUYHVYNTZHWYSP-AWEZNQCLSA-N 1 2 297.355 -1.174 20 0 CAADLO O=C(C[N@H+]1CCO[C@@]2(CCCOC2)C1)N1CCNC(=O)C1 ZINC000375692272 252202003 /nfs/dbraw/zinc/20/20/03/252202003.db2.gz ZUYHVYNTZHWYSP-AWEZNQCLSA-N 1 2 297.355 -1.174 20 0 CAADLO CN(C)S(=O)(=O)[C@H]1CCC[N@H+](CC(=O)NC(N)=O)C1 ZINC000375661704 252202042 /nfs/dbraw/zinc/20/20/42/252202042.db2.gz WAYRUAXWMDBHRB-QMMMGPOBSA-N 1 2 292.361 -1.463 20 0 CAADLO CN(C)S(=O)(=O)[C@H]1CCC[N@@H+](CC(=O)NC(N)=O)C1 ZINC000375661704 252202045 /nfs/dbraw/zinc/20/20/45/252202045.db2.gz WAYRUAXWMDBHRB-QMMMGPOBSA-N 1 2 292.361 -1.463 20 0 CAADLO O=C(C[N@@H+]1CCO[C@]2(CCCOC2)C1)N1CCNC(=O)C1 ZINC000375692279 252202067 /nfs/dbraw/zinc/20/20/67/252202067.db2.gz ZUYHVYNTZHWYSP-CQSZACIVSA-N 1 2 297.355 -1.174 20 0 CAADLO O=C(C[N@H+]1CCO[C@]2(CCCOC2)C1)N1CCNC(=O)C1 ZINC000375692279 252202068 /nfs/dbraw/zinc/20/20/68/252202068.db2.gz ZUYHVYNTZHWYSP-CQSZACIVSA-N 1 2 297.355 -1.174 20 0 CAADLO CN(C)S(=O)(=O)CC[N@@H+]1CCC[C@@H](S(N)(=O)=O)C1 ZINC000375728234 252204120 /nfs/dbraw/zinc/20/41/20/252204120.db2.gz ZCDXDEPLVGZECE-SECBINFHSA-N 1 2 299.418 -1.369 20 0 CAADLO CN(C)S(=O)(=O)CC[N@H+]1CCC[C@@H](S(N)(=O)=O)C1 ZINC000375728234 252204125 /nfs/dbraw/zinc/20/41/25/252204125.db2.gz ZCDXDEPLVGZECE-SECBINFHSA-N 1 2 299.418 -1.369 20 0 CAADLO CCNS(=O)(=O)[C@@H]1CC[N@H+](CCNS(C)(=O)=O)C1 ZINC000376811356 252204401 /nfs/dbraw/zinc/20/44/01/252204401.db2.gz PJMFZSNVRYZFSE-SECBINFHSA-N 1 2 299.418 -1.451 20 0 CAADLO CCNS(=O)(=O)[C@@H]1CC[N@@H+](CCNS(C)(=O)=O)C1 ZINC000376811356 252204404 /nfs/dbraw/zinc/20/44/04/252204404.db2.gz PJMFZSNVRYZFSE-SECBINFHSA-N 1 2 299.418 -1.451 20 0 CAADLO CC[N@@H+]1CCOC[C@@H]1C(=O)N1CCN(CC(=O)NC)CC1 ZINC000378363793 252208081 /nfs/dbraw/zinc/20/80/81/252208081.db2.gz YLBYRHIROAVTDP-GFCCVEGCSA-N 1 2 298.387 -1.403 20 0 CAADLO CC[N@H+]1CCOC[C@@H]1C(=O)N1CCN(CC(=O)NC)CC1 ZINC000378363793 252208083 /nfs/dbraw/zinc/20/80/83/252208083.db2.gz YLBYRHIROAVTDP-GFCCVEGCSA-N 1 2 298.387 -1.403 20 0 CAADLO CNS(=O)(=O)CCC[NH+]1CCN(S(C)(=O)=O)CC1 ZINC000407949892 252209798 /nfs/dbraw/zinc/20/97/98/252209798.db2.gz VQRPSLIYAVVQAX-UHFFFAOYSA-N 1 2 299.418 -1.497 20 0 CAADLO NS(=O)(=O)N1CC[NH+](CCN2C(=O)CNC2=O)CC1 ZINC000407947346 252210081 /nfs/dbraw/zinc/21/00/81/252210081.db2.gz BBFKWXCFWOMDMW-UHFFFAOYSA-N 1 2 291.333 -2.641 20 0 CAADLO CN(C)S(=O)(=O)CC[N@@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000407948529 252210739 /nfs/dbraw/zinc/21/07/39/252210739.db2.gz FTYKPQXUUSAILB-VIFPVBQESA-N 1 2 299.418 -1.499 20 0 CAADLO CN(C)S(=O)(=O)CC[N@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000407948529 252210743 /nfs/dbraw/zinc/21/07/43/252210743.db2.gz FTYKPQXUUSAILB-VIFPVBQESA-N 1 2 299.418 -1.499 20 0 CAADLO CC(C)OC[C@H](O)C[NH+]1CCN(S(N)(=O)=O)CC1 ZINC000407948665 252210838 /nfs/dbraw/zinc/21/08/38/252210838.db2.gz JWSCSHCNJFURBK-SNVBAGLBSA-N 1 2 281.378 -1.407 20 0 CAADLO CS(=O)(=O)NCC[N@@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000407950181 252210895 /nfs/dbraw/zinc/21/08/95/252210895.db2.gz YVHAWQOQOHPDMA-QMMMGPOBSA-N 1 2 285.391 -1.841 20 0 CAADLO CS(=O)(=O)NCC[N@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000407950181 252210899 /nfs/dbraw/zinc/21/08/99/252210899.db2.gz YVHAWQOQOHPDMA-QMMMGPOBSA-N 1 2 285.391 -1.841 20 0 CAADLO C[C@@H](C(=O)N1CCO[C@H](C(N)=O)C1)[NH+]1CCOCC1 ZINC000408003424 252213126 /nfs/dbraw/zinc/21/31/26/252213126.db2.gz WZRJUOKCRZEFKC-UWVGGRQHSA-N 1 2 271.317 -1.580 20 0 CAADLO NC(=O)NC(=O)CCNC(=O)C1([NH+]2CCOCC2)CCC1 ZINC000374709711 252199703 /nfs/dbraw/zinc/19/97/03/252199703.db2.gz ACAZVEDUEIYILU-UHFFFAOYSA-N 1 2 298.343 -1.058 20 0 CAADLO CN(C(=O)C[N@@H+]1CC[C@H](S(N)(=O)=O)C1)C1CC1 ZINC000408089082 252222165 /nfs/dbraw/zinc/22/21/65/252222165.db2.gz LPTKRAPQOZDWLI-VIFPVBQESA-N 1 2 261.347 -1.030 20 0 CAADLO CN(C(=O)C[N@H+]1CC[C@H](S(N)(=O)=O)C1)C1CC1 ZINC000408089082 252222168 /nfs/dbraw/zinc/22/21/68/252222168.db2.gz LPTKRAPQOZDWLI-VIFPVBQESA-N 1 2 261.347 -1.030 20 0 CAADLO C[C@@H](C(=O)N1CC[NH+](CCO)CC1)N1CCOCC1 ZINC000408110812 252222329 /nfs/dbraw/zinc/22/23/29/252222329.db2.gz VQWHOCTUGHMMDK-LBPRGKRZSA-N 1 2 271.361 -1.156 20 0 CAADLO NS(=O)(=O)[C@@H]1CC[N@H+](CC(=O)N2CCCC2)C1 ZINC000408087664 252222415 /nfs/dbraw/zinc/22/24/15/252222415.db2.gz FLPIYPVNYINTEP-SECBINFHSA-N 1 2 261.347 -1.028 20 0 CAADLO NS(=O)(=O)[C@@H]1CC[N@@H+](CC(=O)N2CCCC2)C1 ZINC000408087664 252222418 /nfs/dbraw/zinc/22/24/18/252222418.db2.gz FLPIYPVNYINTEP-SECBINFHSA-N 1 2 261.347 -1.028 20 0 CAADLO CS(=O)(=O)N[C@H]1CC[N@H+](CC(=O)N2CCC2)C1 ZINC000408182110 252226566 /nfs/dbraw/zinc/22/65/66/252226566.db2.gz HMUHKMRPBUBFFT-VIFPVBQESA-N 1 2 261.347 -1.158 20 0 CAADLO CS(=O)(=O)N[C@H]1CC[N@@H+](CC(=O)N2CCC2)C1 ZINC000408182110 252226570 /nfs/dbraw/zinc/22/65/70/252226570.db2.gz HMUHKMRPBUBFFT-VIFPVBQESA-N 1 2 261.347 -1.158 20 0 CAADLO O=C1CN(S(=O)(=O)CCC[NH+]2CCOCC2)CCN1 ZINC000408148025 252224795 /nfs/dbraw/zinc/22/47/95/252224795.db2.gz FGJGRWSRSASMAW-UHFFFAOYSA-N 1 2 291.373 -1.530 20 0 CAADLO O=C(NCCC[N@@H+]1CCNC(=O)C1)N1CCOCC1 ZINC000408147098 252224806 /nfs/dbraw/zinc/22/48/06/252224806.db2.gz ZQSPRZYAQZNHDE-UHFFFAOYSA-N 1 2 270.333 -1.150 20 0 CAADLO O=C(NCCC[N@H+]1CCNC(=O)C1)N1CCOCC1 ZINC000408147098 252224809 /nfs/dbraw/zinc/22/48/09/252224809.db2.gz ZQSPRZYAQZNHDE-UHFFFAOYSA-N 1 2 270.333 -1.150 20 0 CAADLO CNS(=O)(=O)N1CC[NH+](C[C@@H](O)C(F)(F)F)CC1 ZINC000408198521 252226727 /nfs/dbraw/zinc/22/67/27/252226727.db2.gz NCUDDTIXLYSQJA-SSDOTTSWSA-N 1 2 291.295 -1.009 20 0 CAADLO CCOC[C@H](O)C[NH+]1CCN(S(N)(=O)=O)CC1 ZINC000408154810 252226034 /nfs/dbraw/zinc/22/60/34/252226034.db2.gz NAXFQJQUQWUNFO-SECBINFHSA-N 1 2 267.351 -1.795 20 0 CAADLO COC(=O)[C@@](C)(O)C[NH+]1CCN(S(N)(=O)=O)CC1 ZINC000408151054 252226043 /nfs/dbraw/zinc/22/60/43/252226043.db2.gz SPBUNKWNVDFNJY-VIFPVBQESA-N 1 2 281.334 -2.269 20 0 CAADLO C[C@@H](C(=O)N1CCO[C@@H](C(N)=O)C1)[NH+]1CCOCC1 ZINC000408003425 252213837 /nfs/dbraw/zinc/21/38/37/252213837.db2.gz WZRJUOKCRZEFKC-VHSXEESVSA-N 1 2 271.317 -1.580 20 0 CAADLO CS(=O)(=O)N[C@@H]1CC[N@H+](CC(=O)N2CCC2)C1 ZINC000408182109 252226851 /nfs/dbraw/zinc/22/68/51/252226851.db2.gz HMUHKMRPBUBFFT-SECBINFHSA-N 1 2 261.347 -1.158 20 0 CAADLO CS(=O)(=O)N[C@@H]1CC[N@@H+](CC(=O)N2CCC2)C1 ZINC000408182109 252226855 /nfs/dbraw/zinc/22/68/55/252226855.db2.gz HMUHKMRPBUBFFT-SECBINFHSA-N 1 2 261.347 -1.158 20 0 CAADLO C[C@@H](C(=O)N1CCN2C(=O)NC(=O)[C@@H]2C1)[NH+]1CCOCC1 ZINC000408034460 252217001 /nfs/dbraw/zinc/21/70/01/252217001.db2.gz UDEOBIWUUXKGDL-UWVGGRQHSA-N 1 2 296.327 -1.530 20 0 CAADLO Cn1[nH]cnc1=NC(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000408033478 252217062 /nfs/dbraw/zinc/21/70/62/252217062.db2.gz MLDXJVCWHBMCRP-VIFPVBQESA-N 1 2 250.306 -1.435 20 0 CAADLO Cn1[nH]cnc1=NC(=O)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000408033478 252217064 /nfs/dbraw/zinc/21/70/64/252217064.db2.gz MLDXJVCWHBMCRP-VIFPVBQESA-N 1 2 250.306 -1.435 20 0 CAADLO NS(=O)(=O)[C@H]1CCC[N@H+](CC(=O)N2CCC2)C1 ZINC000408196530 252226496 /nfs/dbraw/zinc/22/64/96/252226496.db2.gz DCQKNLOUCAFUOT-VIFPVBQESA-N 1 2 261.347 -1.028 20 0 CAADLO NS(=O)(=O)[C@H]1CCC[N@@H+](CC(=O)N2CCC2)C1 ZINC000408196530 252226498 /nfs/dbraw/zinc/22/64/98/252226498.db2.gz DCQKNLOUCAFUOT-VIFPVBQESA-N 1 2 261.347 -1.028 20 0 CAADLO C[C@@H](O)C(=O)N1CCN(CC[NH+]2CCOCC2)CC1 ZINC000408047515 252218030 /nfs/dbraw/zinc/21/80/30/252218030.db2.gz QVSYKYNSQSIEFM-GFCCVEGCSA-N 1 2 271.361 -1.156 20 0 CAADLO C[C@@H](O)C(=O)N1CC[NH+](CCN2CCOCC2)CC1 ZINC000408047515 252218033 /nfs/dbraw/zinc/21/80/33/252218033.db2.gz QVSYKYNSQSIEFM-GFCCVEGCSA-N 1 2 271.361 -1.156 20 0 CAADLO C[C@H](O)C(=O)N1CCN(C(=O)[C@H](C)[NH+]2CCOCC2)CC1 ZINC000408047114 252218776 /nfs/dbraw/zinc/21/87/76/252218776.db2.gz ZDBRCHHDCQPNQU-RYUDHWBXSA-N 1 2 299.371 -1.241 20 0 CAADLO CN1CC[C@H](C(=O)N2CC[NH+](CCO)CC2)CC1=O ZINC000408093176 252221657 /nfs/dbraw/zinc/22/16/57/252221657.db2.gz NPKRXMRPCTVNQM-NSHDSACASA-N 1 2 269.345 -1.009 20 0 CAADLO C[C@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1CNC(=O)C1 ZINC000408079331 252221997 /nfs/dbraw/zinc/22/19/97/252221997.db2.gz HHZPRZASKARZKB-UWVGGRQHSA-N 1 2 255.318 -1.041 20 0 CAADLO C[C@H]1COCC[N@H+]1CCNC(=O)[C@@H]1CNC(=O)C1 ZINC000408079331 252221999 /nfs/dbraw/zinc/22/19/99/252221999.db2.gz HHZPRZASKARZKB-UWVGGRQHSA-N 1 2 255.318 -1.041 20 0 CAADLO CNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCN2C(=O)NC[C@H]2C1 ZINC000408384784 252237563 /nfs/dbraw/zinc/23/75/63/252237563.db2.gz IEBIYMOOELIDNP-SFYZADRCSA-N 1 2 269.305 -1.460 20 0 CAADLO CNC(=O)NC(=O)[C@@H](C)[N@H+]1CCN2C(=O)NC[C@H]2C1 ZINC000408384784 252237566 /nfs/dbraw/zinc/23/75/66/252237566.db2.gz IEBIYMOOELIDNP-SFYZADRCSA-N 1 2 269.305 -1.460 20 0 CAADLO CNS(=O)(=O)CC(=O)N1CC[N@H+](CCO)[C@H](C)C1 ZINC000408377874 252238628 /nfs/dbraw/zinc/23/86/28/252238628.db2.gz SCPWPHAUTJJNPR-SECBINFHSA-N 1 2 279.362 -1.939 20 0 CAADLO CNS(=O)(=O)CC(=O)N1CC[N@@H+](CCO)[C@H](C)C1 ZINC000408377874 252238632 /nfs/dbraw/zinc/23/86/32/252238632.db2.gz SCPWPHAUTJJNPR-SECBINFHSA-N 1 2 279.362 -1.939 20 0 CAADLO CNC(=O)NC(=O)[C@H](C)[N@@H+]1CCN2C(=O)NC[C@@H]2C1 ZINC000408384782 252238640 /nfs/dbraw/zinc/23/86/40/252238640.db2.gz IEBIYMOOELIDNP-JGVFFNPUSA-N 1 2 269.305 -1.460 20 0 CAADLO CNC(=O)NC(=O)[C@H](C)[N@H+]1CCN2C(=O)NC[C@@H]2C1 ZINC000408384782 252238644 /nfs/dbraw/zinc/23/86/44/252238644.db2.gz IEBIYMOOELIDNP-JGVFFNPUSA-N 1 2 269.305 -1.460 20 0 CAADLO C[C@@H](O)C[NH+]1CCN(S(=O)(=O)NC2CC2)CC1 ZINC000408438044 252239159 /nfs/dbraw/zinc/23/91/59/252239159.db2.gz DXELYBNWXPQIFU-SECBINFHSA-N 1 2 263.363 -1.018 20 0 CAADLO COC[C@H]1C[N@H+](CC(=O)N2CCNC(=O)C2)C[C@@H](C)O1 ZINC000408419275 252239882 /nfs/dbraw/zinc/23/98/82/252239882.db2.gz IONMYWCXWXFUNX-GHMZBOCLSA-N 1 2 285.344 -1.320 20 0 CAADLO COC[C@H]1C[N@@H+](CC(=O)N2CCNC(=O)C2)C[C@@H](C)O1 ZINC000408419275 252239887 /nfs/dbraw/zinc/23/98/87/252239887.db2.gz IONMYWCXWXFUNX-GHMZBOCLSA-N 1 2 285.344 -1.320 20 0 CAADLO CNS(=O)(=O)CC(=O)N1CC[NH+](C2CC2)CC1 ZINC000408405763 252240273 /nfs/dbraw/zinc/24/02/73/252240273.db2.gz RXFVAJHWPSACPV-UHFFFAOYSA-N 1 2 261.347 -1.158 20 0 CAADLO COC(=O)[C@@]1(NC(=O)[C@H]2C[N@H+](C)CCO2)CCOC1 ZINC000408446847 252241301 /nfs/dbraw/zinc/24/13/01/252241301.db2.gz RJZMEIOLLSNVLZ-BXKDBHETSA-N 1 2 272.301 -1.235 20 0 CAADLO COC(=O)[C@@]1(NC(=O)[C@H]2C[N@@H+](C)CCO2)CCOC1 ZINC000408446847 252241303 /nfs/dbraw/zinc/24/13/03/252241303.db2.gz RJZMEIOLLSNVLZ-BXKDBHETSA-N 1 2 272.301 -1.235 20 0 CAADLO CNC(=O)NC(=O)C[N@@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000408182094 252227116 /nfs/dbraw/zinc/22/71/16/252227116.db2.gz HIHKAVYMGQEPIE-ZETCQYMHSA-N 1 2 278.334 -1.935 20 0 CAADLO CNC(=O)NC(=O)C[N@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000408182094 252227119 /nfs/dbraw/zinc/22/71/19/252227119.db2.gz HIHKAVYMGQEPIE-ZETCQYMHSA-N 1 2 278.334 -1.935 20 0 CAADLO CN(C)S(=O)(=O)CC(=O)N1CC[NH+](CCO)CC1 ZINC000408185214 252227141 /nfs/dbraw/zinc/22/71/41/252227141.db2.gz IDNIXZMWTSAUJN-UHFFFAOYSA-N 1 2 279.362 -1.986 20 0 CAADLO CNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000408184813 252227546 /nfs/dbraw/zinc/22/75/46/252227546.db2.gz ZSWPOPPNFKXPQR-YUMQZZPRSA-N 1 2 292.361 -1.546 20 0 CAADLO CNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000408184813 252227552 /nfs/dbraw/zinc/22/75/52/252227552.db2.gz ZSWPOPPNFKXPQR-YUMQZZPRSA-N 1 2 292.361 -1.546 20 0 CAADLO CS(=O)(=O)NCC[N@@H+]1CCC[C@@H](S(N)(=O)=O)C1 ZINC000408197567 252227744 /nfs/dbraw/zinc/22/77/44/252227744.db2.gz ITSFXOFETBLGCD-MRVPVSSYSA-N 1 2 285.391 -1.712 20 0 CAADLO CS(=O)(=O)NCC[N@H+]1CCC[C@@H](S(N)(=O)=O)C1 ZINC000408197567 252227747 /nfs/dbraw/zinc/22/77/47/252227747.db2.gz ITSFXOFETBLGCD-MRVPVSSYSA-N 1 2 285.391 -1.712 20 0 CAADLO CNS(=O)(=O)N1CC[NH+](C[C@H](O)C(F)(F)F)CC1 ZINC000408198522 252227851 /nfs/dbraw/zinc/22/78/51/252227851.db2.gz NCUDDTIXLYSQJA-ZETCQYMHSA-N 1 2 291.295 -1.009 20 0 CAADLO CN1C[C@H](NC(=O)NCC[NH+]2CCOCC2)CC1=O ZINC000408218403 252228861 /nfs/dbraw/zinc/22/88/61/252228861.db2.gz RIQCLSHJBOYFIE-SNVBAGLBSA-N 1 2 270.333 -1.152 20 0 CAADLO CC(=O)[C@@](C)(O)C[N@@H+]1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC000408199730 252229476 /nfs/dbraw/zinc/22/94/76/252229476.db2.gz WCPPDRVXEQNUOW-SKDRFNHKSA-N 1 2 269.301 -2.031 20 0 CAADLO CC(=O)[C@@](C)(O)C[N@H+]1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC000408199730 252229478 /nfs/dbraw/zinc/22/94/78/252229478.db2.gz WCPPDRVXEQNUOW-SKDRFNHKSA-N 1 2 269.301 -2.031 20 0 CAADLO CN1CN(S(=O)(=O)CCC[NH+]2CCOCC2)CC1=O ZINC000408243095 252230715 /nfs/dbraw/zinc/23/07/15/252230715.db2.gz CFTDIFDVOMTQNK-UHFFFAOYSA-N 1 2 291.373 -1.230 20 0 CAADLO CC(C)(C(N)=O)[NH+]1CCN(C(=O)[C@@H]2COCCO2)CC1 ZINC000408260196 252230770 /nfs/dbraw/zinc/23/07/70/252230770.db2.gz TZNDYATYJDHVFM-JTQLQIEISA-N 1 2 285.344 -1.190 20 0 CAADLO CC(C)(C(N)=O)[NH+]1CCN(C(=O)[C@@H]2CCC(=O)N2)CC1 ZINC000408318121 252233115 /nfs/dbraw/zinc/23/31/15/252233115.db2.gz CJPVTQFHFAJQKM-VIFPVBQESA-N 1 2 282.344 -1.327 20 0 CAADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)N1C[C@@H](O)C[C@H]1CO ZINC000408346334 252234373 /nfs/dbraw/zinc/23/43/73/252234373.db2.gz JXOLJVIDISMZNP-SRVKXCTJSA-N 1 2 287.360 -1.156 20 0 CAADLO C[C@@H]1CN(S(=O)(=O)NC2CC2)CC[N@@H+]1CCO ZINC000408366642 252236563 /nfs/dbraw/zinc/23/65/63/252236563.db2.gz MRVVQQSFHXIVNC-SECBINFHSA-N 1 2 263.363 -1.018 20 0 CAADLO C[C@@H]1CN(S(=O)(=O)NC2CC2)CC[N@H+]1CCO ZINC000408366642 252236567 /nfs/dbraw/zinc/23/65/67/252236567.db2.gz MRVVQQSFHXIVNC-SECBINFHSA-N 1 2 263.363 -1.018 20 0 CAADLO C[C@H]1CN(S(=O)(=O)NC2CC2)CC[N@@H+]1CCO ZINC000408366643 252236686 /nfs/dbraw/zinc/23/66/86/252236686.db2.gz MRVVQQSFHXIVNC-VIFPVBQESA-N 1 2 263.363 -1.018 20 0 CAADLO C[C@H]1CN(S(=O)(=O)NC2CC2)CC[N@H+]1CCO ZINC000408366643 252236689 /nfs/dbraw/zinc/23/66/89/252236689.db2.gz MRVVQQSFHXIVNC-VIFPVBQESA-N 1 2 263.363 -1.018 20 0 CAADLO CNC(=O)C[N@@H+]1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC000408373584 252237111 /nfs/dbraw/zinc/23/71/11/252237111.db2.gz HLBXKZMCPCEPHC-VIFPVBQESA-N 1 2 263.363 -1.006 20 0 CAADLO CNC(=O)C[N@H+]1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC000408373584 252237113 /nfs/dbraw/zinc/23/71/13/252237113.db2.gz HLBXKZMCPCEPHC-VIFPVBQESA-N 1 2 263.363 -1.006 20 0 CAADLO CN(C)[C@@H](C(=O)N[C@@H]1CC(=O)N(C)C1=O)c1c[nH+]cn1C ZINC000516192570 252255003 /nfs/dbraw/zinc/25/50/03/252255003.db2.gz FCUSKDNMTKHSPH-LDYMZIIASA-N 1 2 293.327 -1.104 20 0 CAADLO C[C@H]1C(=O)NCCN1C(=O)C(=O)N1CC[NH+](C)CC1 ZINC000410432646 252243118 /nfs/dbraw/zinc/24/31/18/252243118.db2.gz FVWDAJAGRXRUAA-VIFPVBQESA-N 1 2 268.317 -1.893 20 0 CAADLO CC[NH+]1CCN(C(=O)C(=O)N2CCNC(=O)[C@@H]2C)CC1 ZINC000410429554 252243164 /nfs/dbraw/zinc/24/31/64/252243164.db2.gz AIIYYRTZVXJVIQ-JTQLQIEISA-N 1 2 282.344 -1.503 20 0 CAADLO CC[NH+]1CCN(C(=O)C(=O)N2CCNC(=O)[C@H]2C)CC1 ZINC000410429565 252243590 /nfs/dbraw/zinc/24/35/90/252243590.db2.gz AIIYYRTZVXJVIQ-SNVBAGLBSA-N 1 2 282.344 -1.503 20 0 CAADLO C[C@@H]1CCN(C(=O)C(=O)N2CC[NH+](C)CC2)[C@@H]1CO ZINC000410670727 252243932 /nfs/dbraw/zinc/24/39/32/252243932.db2.gz FNSGXLFZQQHQEL-GHMZBOCLSA-N 1 2 269.345 -1.010 20 0 CAADLO C[C@@H]1CCN(C(=O)C(=O)N2CC[NH+](C)CC2)[C@H]1CO ZINC000410670729 252243987 /nfs/dbraw/zinc/24/39/87/252243987.db2.gz FNSGXLFZQQHQEL-MNOVXSKESA-N 1 2 269.345 -1.010 20 0 CAADLO C[C@@H](O)C[C@H]1COCCN1C(=O)C(=O)N1CC[NH+](C)CC1 ZINC000410997920 252244047 /nfs/dbraw/zinc/24/40/47/252244047.db2.gz MFAFLHOGXRULEZ-NEPJUHHUSA-N 1 2 299.371 -1.241 20 0 CAADLO C[C@H]1CN(C(=O)C(=O)N2CC[NH+](C)CC2)C[C@H](CO)O1 ZINC000410980813 252244075 /nfs/dbraw/zinc/24/40/75/252244075.db2.gz NHQRJGGICMXHRE-WDEREUQCSA-N 1 2 285.344 -1.631 20 0 CAADLO C[C@H]1[C@@H](CO)CCN1C(=O)C(=O)N1CC[NH+](C)CC1 ZINC000410742076 252244213 /nfs/dbraw/zinc/24/42/13/252244213.db2.gz HIIZBEHACHJZSV-WDEREUQCSA-N 1 2 269.345 -1.010 20 0 CAADLO C[C@@H](O)CN(C(=O)C(=O)N1CC[NH+](C)CC1)[C@@H](C)CO ZINC000410865007 252244411 /nfs/dbraw/zinc/24/44/11/252244411.db2.gz NUDBYYRCUIMURB-WDEREUQCSA-N 1 2 287.360 -1.649 20 0 CAADLO COC[C@H]1CN(C(=O)C(=O)N2CC[NH+](C)CC2)CCO1 ZINC000410691526 252244636 /nfs/dbraw/zinc/24/46/36/252244636.db2.gz VVKKCCOJRPSFKO-LLVKDONJSA-N 1 2 285.344 -1.366 20 0 CAADLO C[C@H]1CN(C(=O)C(=O)N2CC[NH+](C)CC2)C[C@@H](CO)O1 ZINC000410980812 252244905 /nfs/dbraw/zinc/24/49/05/252244905.db2.gz NHQRJGGICMXHRE-QWRGUYRKSA-N 1 2 285.344 -1.631 20 0 CAADLO CC(=O)N1CCN(C(=O)C(=O)N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000410651783 252245022 /nfs/dbraw/zinc/24/50/22/252245022.db2.gz JAJPIINNRYKFTP-LLVKDONJSA-N 1 2 296.371 -1.160 20 0 CAADLO CN(CC(C)(C)O)C(=O)C(=O)N1CC[NH+](C)CC1 ZINC000410575086 252245031 /nfs/dbraw/zinc/24/50/31/252245031.db2.gz MKTCPVKZVFHYCK-UHFFFAOYSA-N 1 2 257.334 -1.010 20 0 CAADLO C[C@@H]1CN(C(=O)C(=O)N2CC[NH+](C)CC2)C[C@H](CO)O1 ZINC000410980810 252245083 /nfs/dbraw/zinc/24/50/83/252245083.db2.gz NHQRJGGICMXHRE-GHMZBOCLSA-N 1 2 285.344 -1.631 20 0 CAADLO COC(=O)CC[NH+]1CCN(S(=O)(=O)C2COC2)CC1 ZINC000416375045 252245451 /nfs/dbraw/zinc/24/54/51/252245451.db2.gz UQLMASUVVSUAGD-UHFFFAOYSA-N 1 2 292.357 -1.104 20 0 CAADLO CC[NH+]1CCN(C(=O)C(=O)N2CCO[C@H]([C@@H](C)O)C2)CC1 ZINC000414587004 252247195 /nfs/dbraw/zinc/24/71/95/252247195.db2.gz LUFPSOLXZHXOLA-NEPJUHHUSA-N 1 2 299.371 -1.241 20 0 CAADLO O=C(C(=O)N1CCNC(=O)C1)N1CC[NH+](C2CC2)CC1 ZINC000514999738 252253037 /nfs/dbraw/zinc/25/30/37/252253037.db2.gz QMCQTWRLBCLSJI-UHFFFAOYSA-N 1 2 280.328 -1.749 20 0 CAADLO COCC[NH+]1CCN(C[C@H](O)CN2CCOCC2)CC1 ZINC000194620239 532966982 /nfs/dbraw/zinc/96/69/82/532966982.db2.gz LKLNABFSIOLRTH-AWEZNQCLSA-N 1 2 287.404 -1.057 20 0 CAADLO COCCN1CC[NH+](C[C@H](O)CN2CCOCC2)CC1 ZINC000194620239 532966988 /nfs/dbraw/zinc/96/69/88/532966988.db2.gz LKLNABFSIOLRTH-AWEZNQCLSA-N 1 2 287.404 -1.057 20 0 CAADLO COCCN1C[C@@H](C(=O)N2CC[NH+](CCO)CC2)CC1=O ZINC000035200371 532988119 /nfs/dbraw/zinc/98/81/19/532988119.db2.gz OXSABIYIFWKIOD-LBPRGKRZSA-N 1 2 299.371 -1.382 20 0 CAADLO COC(=O)[C@@H]1CN(C[C@@H](O)C[NH+]2CCOCC2)CCO1 ZINC000312969453 533012006 /nfs/dbraw/zinc/01/20/06/533012006.db2.gz VDNQCIVXALOLPC-RYUDHWBXSA-N 1 2 288.344 -1.447 20 0 CAADLO COC(=O)[C@@H]1C[N@H+](C[C@@H](O)CN2CCOCC2)CCO1 ZINC000312969453 533012009 /nfs/dbraw/zinc/01/20/09/533012009.db2.gz VDNQCIVXALOLPC-RYUDHWBXSA-N 1 2 288.344 -1.447 20 0 CAADLO COC(=O)[C@@H]1C[N@@H+](C[C@@H](O)CN2CCOCC2)CCO1 ZINC000312969453 533012013 /nfs/dbraw/zinc/01/20/13/533012013.db2.gz VDNQCIVXALOLPC-RYUDHWBXSA-N 1 2 288.344 -1.447 20 0 CAADLO COC(=O)[C@@H]1C[N@H+](Cc2cn(C)c(=O)n(C)c2=O)CCO1 ZINC000353416915 533014570 /nfs/dbraw/zinc/01/45/70/533014570.db2.gz RIVSOBHWKVCKPD-JTQLQIEISA-N 1 2 297.311 -1.542 20 0 CAADLO COC(=O)[C@@H]1C[N@@H+](Cc2cn(C)c(=O)n(C)c2=O)CCO1 ZINC000353416915 533014575 /nfs/dbraw/zinc/01/45/75/533014575.db2.gz RIVSOBHWKVCKPD-JTQLQIEISA-N 1 2 297.311 -1.542 20 0 CAADLO COC(=O)[C@@H]1CNC(=O)CN1C(=O)C=Cc1c[nH]c[nH+]1 ZINC000493515932 533017843 /nfs/dbraw/zinc/01/78/43/533017843.db2.gz DDJZIKIBLCAGIT-XADBCAIWSA-N 1 2 278.268 -1.077 20 0 CAADLO COC[C@H](NC(=O)CN1CC[NH2+]CC1=O)C1CC1 ZINC000125387355 533048687 /nfs/dbraw/zinc/04/86/87/533048687.db2.gz OFFGLXXFMJDZDO-JTQLQIEISA-N 1 2 255.318 -1.041 20 0 CAADLO COCCOCC(=O)NCC[NH+]1CCN(C(C)=O)CC1 ZINC000345765640 533050373 /nfs/dbraw/zinc/05/03/73/533050373.db2.gz RPGYCWVFLYINNA-UHFFFAOYSA-N 1 2 287.360 -1.070 20 0 CAADLO COC(=O)[C@@H]1C[C@H](O)C[N@@H+]1C[C@@H](O)Cn1cccn1 ZINC000248865943 533064694 /nfs/dbraw/zinc/06/46/94/533064694.db2.gz CAIXBOLMXQPNJR-AXFHLTTASA-N 1 2 269.301 -1.148 20 0 CAADLO COC(=O)[C@@H]1C[C@H](O)C[N@H+]1C[C@@H](O)Cn1cccn1 ZINC000248865943 533064698 /nfs/dbraw/zinc/06/46/98/533064698.db2.gz CAIXBOLMXQPNJR-AXFHLTTASA-N 1 2 269.301 -1.148 20 0 CAADLO COC(=O)[C@@H]1C[C@H](O)C[N@@H+]1CCC(=O)N1CCOCC1 ZINC000352046579 533066098 /nfs/dbraw/zinc/06/60/98/533066098.db2.gz UTVAZOWFKNEYHT-QWRGUYRKSA-N 1 2 286.328 -1.157 20 0 CAADLO COC(=O)[C@@H]1C[C@H](O)C[N@H+]1CCC(=O)N1CCOCC1 ZINC000352046579 533066103 /nfs/dbraw/zinc/06/61/03/533066103.db2.gz UTVAZOWFKNEYHT-QWRGUYRKSA-N 1 2 286.328 -1.157 20 0 CAADLO COCCOCCNC(=O)CN1CC[NH2+]CC1=O ZINC000429675134 533078348 /nfs/dbraw/zinc/07/83/48/533078348.db2.gz MBEUTUFOZOHPIW-UHFFFAOYSA-N 1 2 259.306 -1.803 20 0 CAADLO C[C@@H](C(=O)N1CC[C@@H]2OCC(=O)N[C@H]2C1)[NH+]1CCOCC1 ZINC000574822897 335050745 /nfs/dbraw/zinc/05/07/45/335050745.db2.gz OKUWWMBNGSZJJV-SRVKXCTJSA-N 1 2 297.355 -1.177 20 0 CAADLO COCCOC[C@H]1CCN(C(=O)CN2CC[NH2+]CC2=O)C1 ZINC000430478057 533130012 /nfs/dbraw/zinc/13/00/12/533130012.db2.gz NXEQTPVRNDEPSV-LBPRGKRZSA-N 1 2 299.371 -1.070 20 0 CAADLO COC(=O)[C@@]1(NC[C@H](O)C[NH+]2CCOCC2)CCOC1 ZINC000348121463 533149772 /nfs/dbraw/zinc/14/97/72/533149772.db2.gz GJGUUISHUGJNMO-WCQYABFASA-N 1 2 288.344 -1.399 20 0 CAADLO COC(=O)C(C)(C)N1CC[NH+](CC(=O)NC(N)=O)CC1 ZINC000494464841 533153783 /nfs/dbraw/zinc/15/37/83/533153783.db2.gz LWMDAIIDGKPENJ-UHFFFAOYSA-N 1 2 286.332 -1.250 20 0 CAADLO COC(=O)[C@H](C)CC(=O)N[C@H](CO)C[NH+]1CCOCC1 ZINC000425290685 533160779 /nfs/dbraw/zinc/16/07/79/533160779.db2.gz PEUSSCHWEHDPPR-MNOVXSKESA-N 1 2 288.344 -1.005 20 0 CAADLO COC(=O)[C@H]1CNC(=O)CN1Cc1[nH+]ccn1C ZINC000447908410 291909328 /nfs/dbraw/zinc/90/93/28/291909328.db2.gz UVMBPTFFNHWJNJ-MRVPVSSYSA-N 1 2 252.274 -1.107 20 0 CAADLO COC[C@H]1C[N@H+](CCNS(C)(=O)=O)CCO1 ZINC000172878343 533172269 /nfs/dbraw/zinc/17/22/69/533172269.db2.gz BRJJJWKGLISXKB-SECBINFHSA-N 1 2 252.336 -1.117 20 0 CAADLO COC[C@H]1C[N@@H+](CCNS(C)(=O)=O)CCO1 ZINC000172878343 533172279 /nfs/dbraw/zinc/17/22/79/533172279.db2.gz BRJJJWKGLISXKB-SECBINFHSA-N 1 2 252.336 -1.117 20 0 CAADLO COC(=O)[C@H](C)CNC(=O)CN1CC[NH2+]CC1=O ZINC000430235414 533174369 /nfs/dbraw/zinc/17/43/69/533174369.db2.gz DNGWVJPYJRFVRE-MRVPVSSYSA-N 1 2 257.290 -1.657 20 0 CAADLO COC[C@](C)(NC[C@H](O)C[NH+]1CCOCC1)C(=O)OC ZINC000347550399 533190631 /nfs/dbraw/zinc/19/06/31/533190631.db2.gz PQLQGJAAZHHRFV-AAEUAGOBSA-N 1 2 290.360 -1.153 20 0 CAADLO C[C@@H](NC(=O)CN1CC[NH2+]CC1=O)C(=O)N(C)C ZINC000574878078 335054617 /nfs/dbraw/zinc/05/46/17/335054617.db2.gz SJTISZZXYXJMDF-MRVPVSSYSA-N 1 2 256.306 -1.989 20 0 CAADLO CC(C)(C(N)=O)C(=O)N[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@H]1O ZINC001193940832 781979448 /nfs/dbraw/zinc/97/94/48/781979448.db2.gz GYZYFDIYLUIXMD-HRDYMLBCSA-N 1 2 298.343 -2.452 20 0 CAADLO CC(C)(C(N)=O)C(=O)N[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@H]1O ZINC001193940832 781979460 /nfs/dbraw/zinc/97/94/60/781979460.db2.gz GYZYFDIYLUIXMD-HRDYMLBCSA-N 1 2 298.343 -2.452 20 0 CAADLO CC(C)(C(N)=O)C(=O)N[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@H]1O ZINC001193940834 781979814 /nfs/dbraw/zinc/97/98/14/781979814.db2.gz GYZYFDIYLUIXMD-IWSPIJDZSA-N 1 2 298.343 -2.452 20 0 CAADLO CC(C)(C(N)=O)C(=O)N[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@H]1O ZINC001193940834 781979830 /nfs/dbraw/zinc/97/98/30/781979830.db2.gz GYZYFDIYLUIXMD-IWSPIJDZSA-N 1 2 298.343 -2.452 20 0 CAADLO CNC(=O)Cc1noc(C[N@H+](C)CCC(N)=O)n1 ZINC001194125770 781984846 /nfs/dbraw/zinc/98/48/46/781984846.db2.gz UPOFTWRRNMAWFM-UHFFFAOYSA-N 1 2 255.278 -1.335 20 0 CAADLO CNC(=O)Cc1noc(C[N@@H+](C)CCC(N)=O)n1 ZINC001194125770 781984853 /nfs/dbraw/zinc/98/48/53/781984853.db2.gz UPOFTWRRNMAWFM-UHFFFAOYSA-N 1 2 255.278 -1.335 20 0 CAADLO CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cn[nH]n2)C1 ZINC001194375384 781987292 /nfs/dbraw/zinc/98/72/92/781987292.db2.gz JQQBTARUFMFLJA-NXEZZACHSA-N 1 2 269.305 -1.384 20 0 CAADLO CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cn[nH]n2)C1 ZINC001194375384 781987299 /nfs/dbraw/zinc/98/72/99/781987299.db2.gz JQQBTARUFMFLJA-NXEZZACHSA-N 1 2 269.305 -1.384 20 0 CAADLO CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn[nH]2)C1 ZINC001194375384 781987308 /nfs/dbraw/zinc/98/73/08/781987308.db2.gz JQQBTARUFMFLJA-NXEZZACHSA-N 1 2 269.305 -1.384 20 0 CAADLO CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn[nH]2)C1 ZINC001194375384 781987314 /nfs/dbraw/zinc/98/73/14/781987314.db2.gz JQQBTARUFMFLJA-NXEZZACHSA-N 1 2 269.305 -1.384 20 0 CAADLO COCC(=O)N1CCC[N@H+](CC(=O)NC(N)=O)CC1 ZINC001194583563 781989593 /nfs/dbraw/zinc/98/95/93/781989593.db2.gz ZOQXRCDWJFKEHW-UHFFFAOYSA-N 1 2 272.305 -1.638 20 0 CAADLO COCC(=O)N1CCC[N@@H+](CC(=O)NC(N)=O)CC1 ZINC001194583563 781989599 /nfs/dbraw/zinc/98/95/99/781989599.db2.gz ZOQXRCDWJFKEHW-UHFFFAOYSA-N 1 2 272.305 -1.638 20 0 CAADLO NC(=O)NCCCCC(=O)N[C@@H]1C[N@H+](CCF)C[C@H]1O ZINC001194500577 781989881 /nfs/dbraw/zinc/98/98/81/781989881.db2.gz PGNFTHFXPNQVCI-NXEZZACHSA-N 1 2 290.339 -1.044 20 0 CAADLO NC(=O)NCCCCC(=O)N[C@@H]1C[N@@H+](CCF)C[C@H]1O ZINC001194500577 781989891 /nfs/dbraw/zinc/98/98/91/781989891.db2.gz PGNFTHFXPNQVCI-NXEZZACHSA-N 1 2 290.339 -1.044 20 0 CAADLO COCC1(C(=O)N[C@@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@H]2O)CC1 ZINC001194661434 781991688 /nfs/dbraw/zinc/99/16/88/781991688.db2.gz LKQFGNANXKBHRC-OUAUKWLOSA-N 1 2 297.355 -1.537 20 0 CAADLO COCC1(C(=O)N[C@@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]2O)CC1 ZINC001194661434 781991697 /nfs/dbraw/zinc/99/16/97/781991697.db2.gz LKQFGNANXKBHRC-OUAUKWLOSA-N 1 2 297.355 -1.537 20 0 CAADLO CC(=O)NCC(=O)N1CCC[N@@H+]([C@@H](C)C(N)=O)CC1 ZINC001194674392 781992342 /nfs/dbraw/zinc/99/23/42/781992342.db2.gz UIRBKWHGWBEUNH-VIFPVBQESA-N 1 2 270.333 -1.469 20 0 CAADLO CC(=O)NCC(=O)N1CCC[N@H+]([C@@H](C)C(N)=O)CC1 ZINC001194674392 781992350 /nfs/dbraw/zinc/99/23/50/781992350.db2.gz UIRBKWHGWBEUNH-VIFPVBQESA-N 1 2 270.333 -1.469 20 0 CAADLO COCCC(=O)N1CCC[N@H+](CC(=O)NC(N)=O)CC1 ZINC001194622007 781992862 /nfs/dbraw/zinc/99/28/62/781992862.db2.gz PHBJJFHAMFZFAP-UHFFFAOYSA-N 1 2 286.332 -1.248 20 0 CAADLO COCCC(=O)N1CCC[N@@H+](CC(=O)NC(N)=O)CC1 ZINC001194622007 781992873 /nfs/dbraw/zinc/99/28/73/781992873.db2.gz PHBJJFHAMFZFAP-UHFFFAOYSA-N 1 2 286.332 -1.248 20 0 CAADLO COCC(C)(C)C(=O)N[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@H]1O ZINC001194704693 781993102 /nfs/dbraw/zinc/99/31/02/781993102.db2.gz SJJZMPOQAQADES-GMTAPVOTSA-N 1 2 299.371 -1.291 20 0 CAADLO COCC(C)(C)C(=O)N[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@H]1O ZINC001194704693 781993111 /nfs/dbraw/zinc/99/31/11/781993111.db2.gz SJJZMPOQAQADES-GMTAPVOTSA-N 1 2 299.371 -1.291 20 0 CAADLO C[C@@H](C(=O)NC[C@@H]1C[NH+]2CCN1CC2)n1cncn1 ZINC000178721515 533273908 /nfs/dbraw/zinc/27/39/08/533273908.db2.gz FUVVZOFBFJJBSM-WDEREUQCSA-N 1 2 264.333 -1.045 20 0 CAADLO C[C@@H](NC(=O)[C@H]1COCC[NH2+]1)C(=O)N1CCOCC1 ZINC000135267753 533269991 /nfs/dbraw/zinc/26/99/91/533269991.db2.gz MBMRIRGRBDPSTQ-NXEZZACHSA-N 1 2 271.317 -1.662 20 0 CAADLO COC(=O)[C@H](NC(=O)CN1CC[NH2+]CC1=O)C(C)C ZINC000429744952 533310191 /nfs/dbraw/zinc/31/01/91/533310191.db2.gz PRIIUKBTLAMIID-LLVKDONJSA-N 1 2 271.317 -1.268 20 0 CAADLO C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@H+](C)CCO ZINC000153119070 533359050 /nfs/dbraw/zinc/35/90/50/533359050.db2.gz VTNFBYDOGBLBDY-ZETCQYMHSA-N 1 2 284.316 -1.839 20 0 CAADLO C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@@H+](C)CCO ZINC000153119070 533359055 /nfs/dbraw/zinc/35/90/55/533359055.db2.gz VTNFBYDOGBLBDY-ZETCQYMHSA-N 1 2 284.316 -1.839 20 0 CAADLO CS(=O)(=O)N1CC[NH+](CCCS(N)(=O)=O)CC1 ZINC000156131547 533393010 /nfs/dbraw/zinc/39/30/10/533393010.db2.gz CZULPEALZNREDY-UHFFFAOYSA-N 1 2 285.391 -1.758 20 0 CAADLO CS(=O)(=O)NCC[N@@H+]1CCN2C(=O)NC[C@H]2C1 ZINC000175880161 533397739 /nfs/dbraw/zinc/39/77/39/533397739.db2.gz MZCRXTZSZAVOSJ-QMMMGPOBSA-N 1 2 262.335 -1.755 20 0 CAADLO CS(=O)(=O)NCC[N@H+]1CCN2C(=O)NC[C@H]2C1 ZINC000175880161 533397741 /nfs/dbraw/zinc/39/77/41/533397741.db2.gz MZCRXTZSZAVOSJ-QMMMGPOBSA-N 1 2 262.335 -1.755 20 0 CAADLO CS(=O)(=O)NCCNC(=O)NCCn1cc[nH+]c1 ZINC000043310758 533398627 /nfs/dbraw/zinc/39/86/27/533398627.db2.gz XUWMDJWBMWYPQI-UHFFFAOYSA-N 1 2 275.334 -1.269 20 0 CAADLO COC(=O)CCN(C)S(=O)(=O)NCC(F)(F)C[NH3+] ZINC000262492883 533409359 /nfs/dbraw/zinc/40/93/59/533409359.db2.gz YBERWSMZLKWFKA-UHFFFAOYSA-N 1 2 289.304 -1.090 20 0 CAADLO COC(=O)CC[NH+]1CCN(S(N)(=O)=O)CC1 ZINC000106422658 533425859 /nfs/dbraw/zinc/42/58/59/533425859.db2.gz MWKXBVKPFOTGHD-UHFFFAOYSA-N 1 2 251.308 -1.629 20 0 CAADLO COC(=O)CCNC(=O)C[N@H+](C)[C@H]1COC[C@@H]1O ZINC000352792316 533432388 /nfs/dbraw/zinc/43/23/88/533432388.db2.gz LVBVBGQRGVNWIA-IUCAKERBSA-N 1 2 260.290 -1.643 20 0 CAADLO COC(=O)CCNC(=O)C[N@@H+](C)[C@H]1COC[C@@H]1O ZINC000352792316 533432392 /nfs/dbraw/zinc/43/23/92/533432392.db2.gz LVBVBGQRGVNWIA-IUCAKERBSA-N 1 2 260.290 -1.643 20 0 CAADLO COC(=O)CNC(=O)C[N@@H+]1CCO[C@@]2(CCOC2)C1 ZINC000331641231 533520293 /nfs/dbraw/zinc/52/02/93/533520293.db2.gz MSONONLJARNVPI-LBPRGKRZSA-N 1 2 272.301 -1.233 20 0 CAADLO COC(=O)CNC(=O)C[N@H+]1CCO[C@@]2(CCOC2)C1 ZINC000331641231 533520299 /nfs/dbraw/zinc/52/02/99/533520299.db2.gz MSONONLJARNVPI-LBPRGKRZSA-N 1 2 272.301 -1.233 20 0 CAADLO COC(=O)CNC(=O)C[NH+]1C[C@@H](OC)[C@H](OC)C1 ZINC000488109525 533521574 /nfs/dbraw/zinc/52/15/74/533521574.db2.gz OWUSGYBXEANFOC-RKDXNWHRSA-N 1 2 260.290 -1.379 20 0 CAADLO COC(=O)CNC(=O)CNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492952551 533521608 /nfs/dbraw/zinc/52/16/08/533521608.db2.gz NIOHIXTZRNZNTH-NSCUHMNNSA-N 1 2 266.257 -1.172 20 0 CAADLO COC(=O)CNC(=O)C[NH+]1C[C@H](OC)[C@@H](OC)C1 ZINC000488109516 533522084 /nfs/dbraw/zinc/52/20/84/533522084.db2.gz OWUSGYBXEANFOC-IUCAKERBSA-N 1 2 260.290 -1.379 20 0 CAADLO COC(=O)CNC(=O)[C@@H](C)[N@@H+]1CCNC(=O)CC1 ZINC000332031631 533524579 /nfs/dbraw/zinc/52/45/79/533524579.db2.gz SCKNAOJCAZHRCY-MRVPVSSYSA-N 1 2 257.290 -1.514 20 0 CAADLO COC(=O)CNC(=O)[C@@H](C)[N@H+]1CCNC(=O)CC1 ZINC000332031631 533524583 /nfs/dbraw/zinc/52/45/83/533524583.db2.gz SCKNAOJCAZHRCY-MRVPVSSYSA-N 1 2 257.290 -1.514 20 0 CAADLO CC(=O)N[C@@H](C)C(=O)N1CCC[N@H+]([C@H]2CCNC2=O)CC1 ZINC001194754714 781994162 /nfs/dbraw/zinc/99/41/62/781994162.db2.gz NCGUAFXYIWQZCZ-JQWIXIFHSA-N 1 2 296.371 -1.066 20 0 CAADLO CO[C@@H]1C[N@H+](CC(=O)N[C@H](C)C(=O)N(C)C)C[C@@H]1OC ZINC000331130873 533471575 /nfs/dbraw/zinc/47/15/75/533471575.db2.gz SYAWOGGZYCXMKD-MXWKQRLJSA-N 1 2 287.360 -1.075 20 0 CAADLO CO[C@@H]1C[N@@H+](CC(=O)N[C@H](C)C(=O)N(C)C)C[C@@H]1OC ZINC000331130873 533471579 /nfs/dbraw/zinc/47/15/79/533471579.db2.gz SYAWOGGZYCXMKD-MXWKQRLJSA-N 1 2 287.360 -1.075 20 0 CAADLO COC(=O)CN(C)CC(O)C[N@H+](C)CC(=O)OC ZINC000447128808 533477579 /nfs/dbraw/zinc/47/75/79/533477579.db2.gz PWFYVMUPCCKTQM-UHFFFAOYSA-N 1 2 262.306 -1.443 20 0 CAADLO COC(=O)CN(C)CC(O)C[N@@H+](C)CC(=O)OC ZINC000447128808 533477586 /nfs/dbraw/zinc/47/75/86/533477586.db2.gz PWFYVMUPCCKTQM-UHFFFAOYSA-N 1 2 262.306 -1.443 20 0 CAADLO COC(=O)[C@H]1C[N@H+](CCC(=O)NC(N)=O)CCO1 ZINC000112672208 533490609 /nfs/dbraw/zinc/49/06/09/533490609.db2.gz JLHRGEGVUBUYFI-SSDOTTSWSA-N 1 2 259.262 -1.555 20 0 CAADLO COC(=O)[C@H]1C[N@@H+](CCC(=O)NC(N)=O)CCO1 ZINC000112672208 533490612 /nfs/dbraw/zinc/49/06/12/533490612.db2.gz JLHRGEGVUBUYFI-SSDOTTSWSA-N 1 2 259.262 -1.555 20 0 CAADLO COC(=O)[C@H]1CN(C[C@H](O)C[NH+]2CCOCC2)CCO1 ZINC000312969457 533492470 /nfs/dbraw/zinc/49/24/70/533492470.db2.gz VDNQCIVXALOLPC-VXGBXAGGSA-N 1 2 288.344 -1.447 20 0 CAADLO COC(=O)[C@H]1C[N@H+](C[C@H](O)CN2CCOCC2)CCO1 ZINC000312969457 533492472 /nfs/dbraw/zinc/49/24/72/533492472.db2.gz VDNQCIVXALOLPC-VXGBXAGGSA-N 1 2 288.344 -1.447 20 0 CAADLO COC(=O)[C@H]1C[N@@H+](C[C@H](O)CN2CCOCC2)CCO1 ZINC000312969457 533492476 /nfs/dbraw/zinc/49/24/76/533492476.db2.gz VDNQCIVXALOLPC-VXGBXAGGSA-N 1 2 288.344 -1.447 20 0 CAADLO COC(=O)[C@H]1CNC(=O)CN1C(=O)C=Cc1c[nH]c[nH+]1 ZINC000493515930 533495498 /nfs/dbraw/zinc/49/54/98/533495498.db2.gz DDJZIKIBLCAGIT-PKRMOACSSA-N 1 2 278.268 -1.077 20 0 CAADLO CC(=O)N[C@@H](C)C(=O)N1CCC[N@@H+]([C@H]2CCNC2=O)CC1 ZINC001194754714 781994154 /nfs/dbraw/zinc/99/41/54/781994154.db2.gz NCGUAFXYIWQZCZ-JQWIXIFHSA-N 1 2 296.371 -1.066 20 0 CAADLO COC(=O)CNC(=O)CC[N@@H+]1CCO[C@H](C(=O)OC)C1 ZINC000348005300 533517330 /nfs/dbraw/zinc/51/73/30/533517330.db2.gz SLLCBYVYEFSWLS-VIFPVBQESA-N 1 2 288.300 -1.461 20 0 CAADLO COC(=O)CNC(=O)CC[N@H+]1CCO[C@H](C(=O)OC)C1 ZINC000348005300 533517331 /nfs/dbraw/zinc/51/73/31/533517331.db2.gz SLLCBYVYEFSWLS-VIFPVBQESA-N 1 2 288.300 -1.461 20 0 CAADLO COC(=O)C[C@@H](C)C(=O)N[C@H](CO)C[NH+]1CCOCC1 ZINC000425283470 533590758 /nfs/dbraw/zinc/59/07/58/533590758.db2.gz BZPSUMRVZAXQNW-MNOVXSKESA-N 1 2 288.344 -1.005 20 0 CAADLO COC(=O)[C@H]1C[C@H]1C(=O)NC[C@H](O)C[NH+]1CCOCC1 ZINC000467060200 533555530 /nfs/dbraw/zinc/55/55/30/533555530.db2.gz OMMQBDIVLZYSID-AXFHLTTASA-N 1 2 286.328 -1.395 20 0 CAADLO CC(=O)N[C@H](C)C(=O)N1CCC[N@@H+](CC(N)=O)CC1 ZINC001194754285 781994481 /nfs/dbraw/zinc/99/44/81/781994481.db2.gz HARSOZPTUBTTFP-SECBINFHSA-N 1 2 270.333 -1.469 20 0 CAADLO CC(=O)N[C@H](C)C(=O)N1CCC[N@H+](CC(N)=O)CC1 ZINC001194754285 781994474 /nfs/dbraw/zinc/99/44/74/781994474.db2.gz HARSOZPTUBTTFP-SECBINFHSA-N 1 2 270.333 -1.469 20 0 CAADLO NC(=O)NC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2CCCO2)CC1 ZINC001194732210 781994711 /nfs/dbraw/zinc/99/47/11/781994711.db2.gz BSRMUTAIOPUIIP-JTQLQIEISA-N 1 2 298.343 -1.105 20 0 CAADLO NC(=O)NC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2CCCO2)CC1 ZINC001194732210 781994718 /nfs/dbraw/zinc/99/47/18/781994718.db2.gz BSRMUTAIOPUIIP-JTQLQIEISA-N 1 2 298.343 -1.105 20 0 CAADLO CC(C)Nc1nc(NCCO)[nH+]c(NC[C@H]2CCOC2)n1 ZINC000341837013 130083322 /nfs/dbraw/zinc/08/33/22/130083322.db2.gz ALEJZUQDBKBOON-SNVBAGLBSA-N 1 2 296.375 -1.190 20 0 CAADLO CC(C)Nc1nc(NCCO)nc(NC[C@H]2CCOC2)[nH+]1 ZINC000341837013 130083325 /nfs/dbraw/zinc/08/33/25/130083325.db2.gz ALEJZUQDBKBOON-SNVBAGLBSA-N 1 2 296.375 -1.190 20 0 CAADLO CC(C)Nc1nc(NC[C@H]2CCOC2)nc(NCCO)[nH+]1 ZINC000341837013 130083328 /nfs/dbraw/zinc/08/33/28/130083328.db2.gz ALEJZUQDBKBOON-SNVBAGLBSA-N 1 2 296.375 -1.190 20 0 CAADLO CNC(=O)C[NH+]1CCN(c2nc3[nH][nH]cc-3c(=N)n2)CC1 ZINC000341921852 130131643 /nfs/dbraw/zinc/13/16/43/130131643.db2.gz WCSSKCWQGPEGED-UHFFFAOYSA-N 1 2 290.331 -1.415 20 0 CAADLO CC(C)NC(=O)C[N@H+](C)CC(=O)NC[C@@H]1COCCO1 ZINC000342051911 130223366 /nfs/dbraw/zinc/22/33/66/130223366.db2.gz FPJFLDDXJDHPKW-LLVKDONJSA-N 1 2 287.360 -1.026 20 0 CAADLO CC(C)NC(=O)C[N@@H+](C)CC(=O)NC[C@@H]1COCCO1 ZINC000342051911 130223368 /nfs/dbraw/zinc/22/33/68/130223368.db2.gz FPJFLDDXJDHPKW-LLVKDONJSA-N 1 2 287.360 -1.026 20 0 CAADLO COCCN(CCO)C(=O)C[N@H+](C)CC(=O)NC(C)C ZINC000342224667 130396758 /nfs/dbraw/zinc/39/67/58/130396758.db2.gz MUEAMCGRZMGVKI-UHFFFAOYSA-N 1 2 289.376 -1.090 20 0 CAADLO COCCN(CCO)C(=O)C[N@@H+](C)CC(=O)NC(C)C ZINC000342224667 130396761 /nfs/dbraw/zinc/39/67/61/130396761.db2.gz MUEAMCGRZMGVKI-UHFFFAOYSA-N 1 2 289.376 -1.090 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CCCN(C(=O)CNC(N)=O)CC1 ZINC001194761914 781995861 /nfs/dbraw/zinc/99/58/61/781995861.db2.gz MVKIEXQWYDNFQP-MRVPVSSYSA-N 1 2 271.321 -1.937 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CCCN(C(=O)CNC(N)=O)CC1 ZINC001194761914 781995865 /nfs/dbraw/zinc/99/58/65/781995865.db2.gz MVKIEXQWYDNFQP-MRVPVSSYSA-N 1 2 271.321 -1.937 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CCCN(C(=O)CNC(N)=O)CC1 ZINC001194761915 781996508 /nfs/dbraw/zinc/99/65/08/781996508.db2.gz MVKIEXQWYDNFQP-QMMMGPOBSA-N 1 2 271.321 -1.937 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CCCN(C(=O)CNC(N)=O)CC1 ZINC001194761915 781996513 /nfs/dbraw/zinc/99/65/13/781996513.db2.gz MVKIEXQWYDNFQP-QMMMGPOBSA-N 1 2 271.321 -1.937 20 0 CAADLO CC(C)NC(=O)C[N@@H+]1CCCN(C(=O)CNC(N)=O)CC1 ZINC001194811134 781996799 /nfs/dbraw/zinc/99/67/99/781996799.db2.gz JEVYCZHMUVAMGL-UHFFFAOYSA-N 1 2 299.375 -1.286 20 0 CAADLO CC(C)NC(=O)C[N@H+]1CCCN(C(=O)CNC(N)=O)CC1 ZINC001194811134 781996803 /nfs/dbraw/zinc/99/68/03/781996803.db2.gz JEVYCZHMUVAMGL-UHFFFAOYSA-N 1 2 299.375 -1.286 20 0 CAADLO Cn1[nH]cnc1=NC(=O)N(CCO)CC[NH+]1CCOCC1 ZINC000678661999 545609953 /nfs/dbraw/zinc/60/99/53/545609953.db2.gz WMKHKIQBXNYURS-UHFFFAOYSA-N 1 2 298.347 -1.605 20 0 CAADLO O=C(CNC(=O)C1(O)CCC1)NCC[NH+]1CCOCC1 ZINC000680359850 545612728 /nfs/dbraw/zinc/61/27/28/545612728.db2.gz UJOHYRSXMSMJBW-UHFFFAOYSA-N 1 2 285.344 -1.534 20 0 CAADLO Cn1cc[nH+]c1CCC(=O)N[C@@H]1CN(CC(N)=O)C[C@H]1O ZINC001194908340 781998855 /nfs/dbraw/zinc/99/88/55/781998855.db2.gz ASLBJNMYRUMENP-NXEZZACHSA-N 1 2 295.343 -2.001 20 0 CAADLO COC[C@](C)(CO)NC(=O)C[N@H+](C)CC(=O)NC(C)C ZINC000681076045 545614127 /nfs/dbraw/zinc/61/41/27/545614127.db2.gz QSAMYMIJKCXHJJ-ZDUSSCGKSA-N 1 2 289.376 -1.044 20 0 CAADLO COC[C@](C)(CO)NC(=O)C[N@@H+](C)CC(=O)NC(C)C ZINC000681076045 545614131 /nfs/dbraw/zinc/61/41/31/545614131.db2.gz QSAMYMIJKCXHJJ-ZDUSSCGKSA-N 1 2 289.376 -1.044 20 0 CAADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@@H]1CCN(C)C1=O ZINC000681304260 545614718 /nfs/dbraw/zinc/61/47/18/545614718.db2.gz MAOWYVSFUGVVCO-NWDGAFQWSA-N 1 2 299.371 -1.384 20 0 CAADLO O=C(Nc1ccc2[nH+]ccn2c1)C(=O)N1C[C@@H](O)[C@@H](O)C1 ZINC000682280592 545617743 /nfs/dbraw/zinc/61/77/43/545617743.db2.gz IFPNQQHKMFSVOD-AOOOYVTPSA-N 1 2 290.279 -1.163 20 0 CAADLO Cn1cnn(CC(=O)NCC2([NH+]3CCOCC3)CC2)c1=O ZINC000683402140 545619034 /nfs/dbraw/zinc/61/90/34/545619034.db2.gz NPLLPLOGGDATIN-UHFFFAOYSA-N 1 2 295.343 -1.437 20 0 CAADLO CC(C)(C(N)=O)C(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000683487829 545619093 /nfs/dbraw/zinc/61/90/93/545619093.db2.gz NPOJTDXCRIHIRG-UHFFFAOYSA-N 1 2 284.360 -1.094 20 0 CAADLO Cn1c[nH+]c(CN2CCN3C(=O)C(=O)NC[C@H]3C2)c1 ZINC000683897599 545619887 /nfs/dbraw/zinc/61/98/87/545619887.db2.gz DHOWRGCMGOKAPT-JTQLQIEISA-N 1 2 263.301 -1.437 20 0 CAADLO CNS(=O)(=O)NCC(=O)N[C@@H]1C[N@H+](CCF)C[C@H]1O ZINC001195011966 782001112 /nfs/dbraw/zinc/00/11/12/782001112.db2.gz MVJJQEBTFGATRQ-HTQZYQBOSA-N 1 2 298.340 -2.829 20 0 CAADLO CNS(=O)(=O)NCC(=O)N[C@@H]1C[N@@H+](CCF)C[C@H]1O ZINC001195011966 782001117 /nfs/dbraw/zinc/00/11/17/782001117.db2.gz MVJJQEBTFGATRQ-HTQZYQBOSA-N 1 2 298.340 -2.829 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CCCN(C(=O)CNC(=O)C2CC2)CC1 ZINC001195025457 782001130 /nfs/dbraw/zinc/00/11/30/782001130.db2.gz NWHQNPYBDUHNIC-JTQLQIEISA-N 1 2 296.371 -1.079 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CCCN(C(=O)CNC(=O)C2CC2)CC1 ZINC001195025457 782001135 /nfs/dbraw/zinc/00/11/35/782001135.db2.gz NWHQNPYBDUHNIC-JTQLQIEISA-N 1 2 296.371 -1.079 20 0 CAADLO NC(=O)NC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2CCOC2)CC1 ZINC001195088176 782001165 /nfs/dbraw/zinc/00/11/65/782001165.db2.gz AFCSLKUQZOEWJA-SNVBAGLBSA-N 1 2 298.343 -1.248 20 0 CAADLO NC(=O)NC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2CCOC2)CC1 ZINC001195088176 782001173 /nfs/dbraw/zinc/00/11/73/782001173.db2.gz AFCSLKUQZOEWJA-SNVBAGLBSA-N 1 2 298.343 -1.248 20 0 CAADLO CC(C)(C(N)=O)C(=O)NCCC[N@@H+]1CCNC(=O)C1 ZINC000683494591 545620062 /nfs/dbraw/zinc/62/00/62/545620062.db2.gz KDARDYOMELWFNP-UHFFFAOYSA-N 1 2 270.333 -1.564 20 0 CAADLO CC(C)(C(N)=O)C(=O)NCCC[N@H+]1CCNC(=O)C1 ZINC000683494591 545620067 /nfs/dbraw/zinc/62/00/67/545620067.db2.gz KDARDYOMELWFNP-UHFFFAOYSA-N 1 2 270.333 -1.564 20 0 CAADLO C[C@@H](NS(=O)(=O)c1cnnn1C)[C@H]1C[N@H+](C)CCO1 ZINC000684584984 545621484 /nfs/dbraw/zinc/62/14/84/545621484.db2.gz VMGFTMRKXWVFOC-RKDXNWHRSA-N 1 2 289.361 -1.188 20 0 CAADLO C[C@@H](NS(=O)(=O)c1cnnn1C)[C@H]1C[N@@H+](C)CCO1 ZINC000684584984 545621488 /nfs/dbraw/zinc/62/14/88/545621488.db2.gz VMGFTMRKXWVFOC-RKDXNWHRSA-N 1 2 289.361 -1.188 20 0 CAADLO O=C(NC[C@H]1C[NH+]2CCN1CC2)[C@H]1COCCO1 ZINC000178728263 545624425 /nfs/dbraw/zinc/62/44/25/545624425.db2.gz NAKQNZCVTGDJRE-WDEREUQCSA-N 1 2 255.318 -1.482 20 0 CAADLO CNS(=O)(=O)NCC(=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC000672148272 545592188 /nfs/dbraw/zinc/59/21/88/545592188.db2.gz JTZWQPLEQSGHGI-QMMMGPOBSA-N 1 2 287.345 -1.632 20 0 CAADLO COC(=O)[C@H]1CN(C)CC[N@@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001195222818 782002040 /nfs/dbraw/zinc/00/20/40/782002040.db2.gz DSRBWAHKAZEWRM-UWVGGRQHSA-N 1 2 283.328 -1.172 20 0 CAADLO COC(=O)[C@H]1CN(C)CC[N@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001195222818 782002050 /nfs/dbraw/zinc/00/20/50/782002050.db2.gz DSRBWAHKAZEWRM-UWVGGRQHSA-N 1 2 283.328 -1.172 20 0 CAADLO COC(=O)[C@@H]1CN(C)CC[N@@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001195222814 782002093 /nfs/dbraw/zinc/00/20/93/782002093.db2.gz DSRBWAHKAZEWRM-NXEZZACHSA-N 1 2 283.328 -1.172 20 0 CAADLO COC(=O)[C@@H]1CN(C)CC[N@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001195222814 782002103 /nfs/dbraw/zinc/00/21/03/782002103.db2.gz DSRBWAHKAZEWRM-NXEZZACHSA-N 1 2 283.328 -1.172 20 0 CAADLO CCNC(=O)CCC(=O)N1CCC[N@H+](CC(N)=O)CC1 ZINC001195260134 782002537 /nfs/dbraw/zinc/00/25/37/782002537.db2.gz CRLNJKFMRSNNSC-UHFFFAOYSA-N 1 2 284.360 -1.078 20 0 CAADLO CCNC(=O)CCC(=O)N1CCC[N@@H+](CC(N)=O)CC1 ZINC001195260134 782002546 /nfs/dbraw/zinc/00/25/46/782002546.db2.gz CRLNJKFMRSNNSC-UHFFFAOYSA-N 1 2 284.360 -1.078 20 0 CAADLO C[C@H](CC(N)=O)C(=O)N[C@@H]1C[N@H+](CCF)C[C@H]1O ZINC001195294455 782004294 /nfs/dbraw/zinc/00/42/94/782004294.db2.gz NEOKJSQWFRNEGA-IWSPIJDZSA-N 1 2 261.297 -1.371 20 0 CAADLO C[C@H](CC(N)=O)C(=O)N[C@@H]1C[N@@H+](CCF)C[C@H]1O ZINC001195294455 782004303 /nfs/dbraw/zinc/00/43/03/782004303.db2.gz NEOKJSQWFRNEGA-IWSPIJDZSA-N 1 2 261.297 -1.371 20 0 CAADLO NC(=O)CC(=O)N1CCC[N@H+](CC(=O)NCC2CC2)CC1 ZINC001195364305 782005824 /nfs/dbraw/zinc/00/58/24/782005824.db2.gz NIYJSEKSWZCRMA-UHFFFAOYSA-N 1 2 296.371 -1.078 20 0 CAADLO NC(=O)CC(=O)N1CCC[N@@H+](CC(=O)NCC2CC2)CC1 ZINC001195364305 782005830 /nfs/dbraw/zinc/00/58/30/782005830.db2.gz NIYJSEKSWZCRMA-UHFFFAOYSA-N 1 2 296.371 -1.078 20 0 CAADLO Cn1cc(C(=O)NC2C[NH+](C)C2)c(=O)n(C)c1=O ZINC001195540848 782008588 /nfs/dbraw/zinc/00/85/88/782008588.db2.gz GXJBZXJMVATRSA-UHFFFAOYSA-N 1 2 252.274 -1.872 20 0 CAADLO COCCCNC(=O)[C@@H](C)[N@@H+]1CCO[C@@H](C(N)=O)C1 ZINC000353463210 292359651 /nfs/dbraw/zinc/35/96/51/292359651.db2.gz VPDUCZLGPPYZAT-NXEZZACHSA-N 1 2 273.333 -1.286 20 0 CAADLO COCCCNC(=O)[C@@H](C)[N@H+]1CCO[C@@H](C(N)=O)C1 ZINC000353463210 292359652 /nfs/dbraw/zinc/35/96/52/292359652.db2.gz VPDUCZLGPPYZAT-NXEZZACHSA-N 1 2 273.333 -1.286 20 0 CAADLO CCS(=O)(=O)C[C@H](C)NC(=O)CN1CC[NH2+]CC1=O ZINC000430412713 286636987 /nfs/dbraw/zinc/63/69/87/286636987.db2.gz ILKHKDGSFNJMHS-VIFPVBQESA-N 1 2 291.373 -1.642 20 0 CAADLO CCS(=O)(=O)NCC(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000330515860 286672663 /nfs/dbraw/zinc/67/26/63/286672663.db2.gz LXAZORPWBCUKBQ-SNVBAGLBSA-N 1 2 293.389 -1.237 20 0 CAADLO CCS(=O)(=O)NCC(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000330473997 286674044 /nfs/dbraw/zinc/67/40/44/286674044.db2.gz HVHFPUNDSIHXNS-SNVBAGLBSA-N 1 2 293.389 -1.237 20 0 CAADLO C[C@H](NC(N)=O)C(=O)N1CCC[N@@H+]([C@H]2CCNC2=O)CC1 ZINC001195625896 782011201 /nfs/dbraw/zinc/01/12/01/782011201.db2.gz SQJSIFKNICGKEF-UWVGGRQHSA-N 1 2 297.359 -1.534 20 0 CAADLO C[C@H](NC(N)=O)C(=O)N1CCC[N@H+]([C@H]2CCNC2=O)CC1 ZINC001195625896 782011211 /nfs/dbraw/zinc/01/12/11/782011211.db2.gz SQJSIFKNICGKEF-UWVGGRQHSA-N 1 2 297.359 -1.534 20 0 CAADLO O=C(NCc1n[nH]c(=O)[nH]1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653092084 409323742 /nfs/dbraw/zinc/32/37/42/409323742.db2.gz QWDMKATZGHMGEM-WKEGUHRASA-N 1 2 253.262 -1.638 20 0 CAADLO C[C@@H]1C(=O)N(C)CN1C(=O)C(=O)NCCn1cc[nH+]c1 ZINC000646973580 409328267 /nfs/dbraw/zinc/32/82/67/409328267.db2.gz FYBVJVYGPHRXBW-SECBINFHSA-N 1 2 279.300 -1.354 20 0 CAADLO C[C@H]1C(=O)N(C)CN1C(=O)C(=O)NCc1[nH+]ccn1C ZINC000647027608 409328275 /nfs/dbraw/zinc/32/82/75/409328275.db2.gz SMSSEUQLBYRHHW-QMMMGPOBSA-N 1 2 279.300 -1.317 20 0 CAADLO O=C(Cn1cccn1)N[C@@H](CO)C[NH+]1CCOCC1 ZINC000647662025 409358563 /nfs/dbraw/zinc/35/85/63/409358563.db2.gz AQHMYYPNFGUBBE-LLVKDONJSA-N 1 2 268.317 -1.308 20 0 CAADLO CNC(=O)NCC(=O)N[C@H](CO)C[NH+]1CCOCC1 ZINC000647662153 409358637 /nfs/dbraw/zinc/35/86/37/409358637.db2.gz KTZUSTHFMWUKBR-VIFPVBQESA-N 1 2 274.321 -2.275 20 0 CAADLO Cn1ncc2c1nc(NC[C@@](C)(O)CO)[nH+]c2N ZINC000360124635 409366601 /nfs/dbraw/zinc/36/66/01/409366601.db2.gz UNHHNSBYDAZSBK-SNVBAGLBSA-N 1 2 252.278 -0.899 20 0 CAADLO O=C(N[C@H](CO)C[NH+]1CCOCC1)[C@H]1CCC(=O)NC1 ZINC000644456963 409367355 /nfs/dbraw/zinc/36/73/55/409367355.db2.gz LMAQYPKGZYCKGH-QWRGUYRKSA-N 1 2 285.344 -1.678 20 0 CAADLO O=C(N[C@H](CO)C[NH+]1CCOCC1)[C@@H]1CCC(=O)NC1 ZINC000644456962 409367482 /nfs/dbraw/zinc/36/74/82/409367482.db2.gz LMAQYPKGZYCKGH-MNOVXSKESA-N 1 2 285.344 -1.678 20 0 CAADLO CNC(=O)[C@H]1CCN(C(=O)[C@H]2COCC[N@@H+]2C)C1 ZINC000644491647 409368614 /nfs/dbraw/zinc/36/86/14/409368614.db2.gz DNLAZXKHLHXTPE-VHSXEESVSA-N 1 2 255.318 -1.089 20 0 CAADLO CNC(=O)[C@H]1CCN(C(=O)[C@H]2COCC[N@H+]2C)C1 ZINC000644491647 409368621 /nfs/dbraw/zinc/36/86/21/409368621.db2.gz DNLAZXKHLHXTPE-VHSXEESVSA-N 1 2 255.318 -1.089 20 0 CAADLO CC(C)NC(=O)C[N@H+](C)CC(=O)NC1COCCOC1 ZINC000644710883 409369470 /nfs/dbraw/zinc/36/94/70/409369470.db2.gz AHJGNFGAMLUWBS-UHFFFAOYSA-N 1 2 287.360 -1.026 20 0 CAADLO CC(C)NC(=O)C[N@@H+](C)CC(=O)NC1COCCOC1 ZINC000644710883 409369474 /nfs/dbraw/zinc/36/94/74/409369474.db2.gz AHJGNFGAMLUWBS-UHFFFAOYSA-N 1 2 287.360 -1.026 20 0 CAADLO C[C@H](C[NH+]1CCOCC1)NC(=O)[C@H]1CCS(=O)(=O)N1 ZINC000651108632 409372990 /nfs/dbraw/zinc/37/29/90/409372990.db2.gz SLEFXCZUDOTBSG-NXEZZACHSA-N 1 2 291.373 -1.485 20 0 CAADLO C[C@H](NC(=O)C[N@H+](C)C[C@@H]1COCCO1)C(=O)N(C)C ZINC000661605723 409377903 /nfs/dbraw/zinc/37/79/03/409377903.db2.gz QJLJQTMPLYJNNL-WDEREUQCSA-N 1 2 287.360 -1.074 20 0 CAADLO C[C@H](NC(=O)C[N@@H+](C)C[C@@H]1COCCO1)C(=O)N(C)C ZINC000661605723 409377911 /nfs/dbraw/zinc/37/79/11/409377911.db2.gz QJLJQTMPLYJNNL-WDEREUQCSA-N 1 2 287.360 -1.074 20 0 CAADLO C[C@H](NC(=O)C[N@H+](C)C[C@H]1COCCO1)C(=O)N(C)C ZINC000661605720 409378639 /nfs/dbraw/zinc/37/86/39/409378639.db2.gz QJLJQTMPLYJNNL-QWRGUYRKSA-N 1 2 287.360 -1.074 20 0 CAADLO C[C@H](NC(=O)C[N@@H+](C)C[C@H]1COCCO1)C(=O)N(C)C ZINC000661605720 409378642 /nfs/dbraw/zinc/37/86/42/409378642.db2.gz QJLJQTMPLYJNNL-QWRGUYRKSA-N 1 2 287.360 -1.074 20 0 CAADLO C[C@@H](O)C(=O)N1CC[N@H+](C)[C@H](CNC(=O)[C@H](C)O)C1 ZINC000652497881 409400600 /nfs/dbraw/zinc/40/06/00/409400600.db2.gz OJSAQZDFPYNJJO-IVZWLZJFSA-N 1 2 273.333 -1.993 20 0 CAADLO C[C@@H](O)C(=O)N1CC[N@@H+](C)[C@H](CNC(=O)[C@H](C)O)C1 ZINC000652497881 409400604 /nfs/dbraw/zinc/40/06/04/409400604.db2.gz OJSAQZDFPYNJJO-IVZWLZJFSA-N 1 2 273.333 -1.993 20 0 CAADLO O=S(=O)(N1CC[NH+](CCO)CC1)N1CCCOCC1 ZINC000651503745 409381618 /nfs/dbraw/zinc/38/16/18/409381618.db2.gz MVXQVQBSMQIHTL-UHFFFAOYSA-N 1 2 293.389 -1.437 20 0 CAADLO CN(Cc1nnn(C)n1)C[C@@H](O)C[NH+]1CCOCC1 ZINC000194440127 409383591 /nfs/dbraw/zinc/38/35/91/409383591.db2.gz YVEFKHHTDXNWAZ-SNVBAGLBSA-N 1 2 270.337 -1.665 20 0 CAADLO O=C(NC[C@H]1C[NH+]2CCN1CC2)[C@H]1CCS(=O)(=O)N1 ZINC000651553259 409384683 /nfs/dbraw/zinc/38/46/83/409384683.db2.gz LRVHOARBZLNCAI-VHSXEESVSA-N 1 2 288.373 -2.206 20 0 CAADLO C[C@H]1C(=O)NCCN1C[C@H](O)C[NH+]1CCOCC1 ZINC000106933977 409386153 /nfs/dbraw/zinc/38/61/53/409386153.db2.gz VOXSQZOMYLCVLC-WDEREUQCSA-N 1 2 257.334 -1.500 20 0 CAADLO C[C@H]1C(=O)NCC[N@H+]1C[C@H](O)CN1CCOCC1 ZINC000106933977 409386158 /nfs/dbraw/zinc/38/61/58/409386158.db2.gz VOXSQZOMYLCVLC-WDEREUQCSA-N 1 2 257.334 -1.500 20 0 CAADLO C[C@H]1C(=O)NCC[N@@H+]1C[C@H](O)CN1CCOCC1 ZINC000106933977 409386163 /nfs/dbraw/zinc/38/61/63/409386163.db2.gz VOXSQZOMYLCVLC-WDEREUQCSA-N 1 2 257.334 -1.500 20 0 CAADLO O=S(=O)([C@@H]1CCOC1)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000651882250 409390896 /nfs/dbraw/zinc/39/08/96/409390896.db2.gz IBVCTYDEFRKUPV-GHMZBOCLSA-N 1 2 276.358 -1.144 20 0 CAADLO O=S(=O)([C@@H]1CCOC1)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000651882250 409390899 /nfs/dbraw/zinc/39/08/99/409390899.db2.gz IBVCTYDEFRKUPV-GHMZBOCLSA-N 1 2 276.358 -1.144 20 0 CAADLO CNS(=O)(=O)N1CC[NH+](CCOCCOC)CC1 ZINC000651932485 409390950 /nfs/dbraw/zinc/39/09/50/409390950.db2.gz VYEHRCICIKRUQP-UHFFFAOYSA-N 1 2 281.378 -1.269 20 0 CAADLO CCN(C)S(=O)(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000651882253 409391179 /nfs/dbraw/zinc/39/11/79/409391179.db2.gz IHFHQFWOCXUSFW-SNVBAGLBSA-N 1 2 263.363 -1.066 20 0 CAADLO CCN(C)S(=O)(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000651882253 409391182 /nfs/dbraw/zinc/39/11/82/409391182.db2.gz IHFHQFWOCXUSFW-SNVBAGLBSA-N 1 2 263.363 -1.066 20 0 CAADLO COCCS(=O)(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000651881488 409391429 /nfs/dbraw/zinc/39/14/29/409391429.db2.gz DJXVNACCASLBSI-SNVBAGLBSA-N 1 2 264.347 -1.287 20 0 CAADLO COCCS(=O)(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000651881488 409391434 /nfs/dbraw/zinc/39/14/34/409391434.db2.gz DJXVNACCASLBSI-SNVBAGLBSA-N 1 2 264.347 -1.287 20 0 CAADLO CCNC(=O)C[N@H+](C)CC(=O)N1CCN(C(C)=O)CC1 ZINC000048610223 409393517 /nfs/dbraw/zinc/39/35/17/409393517.db2.gz KFPAWOKLCQKCNX-UHFFFAOYSA-N 1 2 284.360 -1.255 20 0 CAADLO CCNC(=O)C[N@@H+](C)CC(=O)N1CCN(C(C)=O)CC1 ZINC000048610223 409393523 /nfs/dbraw/zinc/39/35/23/409393523.db2.gz KFPAWOKLCQKCNX-UHFFFAOYSA-N 1 2 284.360 -1.255 20 0 CAADLO CN(C)c1nc(N)nc(C[N@@H+]2C[C@@H]3C[C@]3(O)C2)n1 ZINC000640482869 409397909 /nfs/dbraw/zinc/39/79/09/409397909.db2.gz LQVHTMJDMLDHEC-CPCISQLKSA-N 1 2 250.306 -0.914 20 0 CAADLO CN(C)c1nc(N)nc(C[N@H+]2C[C@@H]3C[C@]3(O)C2)n1 ZINC000640482869 409397915 /nfs/dbraw/zinc/39/79/15/409397915.db2.gz LQVHTMJDMLDHEC-CPCISQLKSA-N 1 2 250.306 -0.914 20 0 CAADLO C[C@@H]1C(=O)N(C)CN1C(=O)C(=O)NCCc1cn(C)c[nH+]1 ZINC000647078691 409330787 /nfs/dbraw/zinc/33/07/87/409330787.db2.gz TXBLYSIITFDTCG-SECBINFHSA-N 1 2 293.327 -1.275 20 0 CAADLO O=C(CN1CC[NH2+]CC1=O)N1CC[C@@H]2COC[C@H]2C1 ZINC000662709371 409336189 /nfs/dbraw/zinc/33/61/89/409336189.db2.gz BCHDYESWNIWNEL-GHMZBOCLSA-N 1 2 267.329 -1.087 20 0 CAADLO Cn1c(N)c(C(=O)C[N@H+](C)[C@@H]2CCOC2)c(=O)n(C)c1=O ZINC000106882072 409341266 /nfs/dbraw/zinc/34/12/66/409341266.db2.gz HUVMXZHTKXBZLN-MRVPVSSYSA-N 1 2 296.327 -1.430 20 0 CAADLO Cn1c(N)c(C(=O)C[N@@H+](C)[C@@H]2CCOC2)c(=O)n(C)c1=O ZINC000106882072 409341273 /nfs/dbraw/zinc/34/12/73/409341273.db2.gz HUVMXZHTKXBZLN-MRVPVSSYSA-N 1 2 296.327 -1.430 20 0 CAADLO C[C@@H]1CC(=O)NCC[N@@H+]1CC(=O)N1CCNC(=O)C1 ZINC000363488771 409344748 /nfs/dbraw/zinc/34/47/48/409344748.db2.gz IWAKAECBRCJJKG-SECBINFHSA-N 1 2 268.317 -1.845 20 0 CAADLO C[C@@H]1CC(=O)NCC[N@H+]1CC(=O)N1CCNC(=O)C1 ZINC000363488771 409344752 /nfs/dbraw/zinc/34/47/52/409344752.db2.gz IWAKAECBRCJJKG-SECBINFHSA-N 1 2 268.317 -1.845 20 0 CAADLO C[C@@H](CO)[N@H+](C)Cc1nc2c([nH]1)n(C)c(=O)n(C)c2=O ZINC000120510419 409344957 /nfs/dbraw/zinc/34/49/57/409344957.db2.gz JLRNBOJINGTCRD-ZETCQYMHSA-N 1 2 281.316 -1.227 20 0 CAADLO C[C@@H](CO)[N@@H+](C)Cc1nc2c([nH]1)n(C)c(=O)n(C)c2=O ZINC000120510419 409344960 /nfs/dbraw/zinc/34/49/60/409344960.db2.gz JLRNBOJINGTCRD-ZETCQYMHSA-N 1 2 281.316 -1.227 20 0 CAADLO C[C@H](O)C[NH+]1CCN(S(=O)(=O)c2cnnn2C)CC1 ZINC000358916517 409345077 /nfs/dbraw/zinc/34/50/77/409345077.db2.gz SPDRYNUOPRDYBD-VIFPVBQESA-N 1 2 289.361 -1.498 20 0 CAADLO C[C@H](CO)[N@H+](C)Cc1nc2c([nH]1)n(C)c(=O)n(C)c2=O ZINC000120510587 409345241 /nfs/dbraw/zinc/34/52/41/409345241.db2.gz JLRNBOJINGTCRD-SSDOTTSWSA-N 1 2 281.316 -1.227 20 0 CAADLO C[C@H](CO)[N@@H+](C)Cc1nc2c([nH]1)n(C)c(=O)n(C)c2=O ZINC000120510587 409345245 /nfs/dbraw/zinc/34/52/45/409345245.db2.gz JLRNBOJINGTCRD-SSDOTTSWSA-N 1 2 281.316 -1.227 20 0 CAADLO O=C(N[C@H]1CCNC1=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000661382620 409349867 /nfs/dbraw/zinc/34/98/67/409349867.db2.gz BKKZDGHPFINNFR-QWRGUYRKSA-N 1 2 282.344 -1.009 20 0 CAADLO CN1CC[N@H+](C)[C@@H](CNC(=O)NC2COCCOC2)C1 ZINC000644154897 409349942 /nfs/dbraw/zinc/34/99/42/409349942.db2.gz GLMZBZOYGOKRJW-LBPRGKRZSA-N 1 2 286.376 -1.053 20 0 CAADLO CN1CC[N@@H+](C)[C@@H](CNC(=O)NC2COCCOC2)C1 ZINC000644154897 409349944 /nfs/dbraw/zinc/34/99/44/409349944.db2.gz GLMZBZOYGOKRJW-LBPRGKRZSA-N 1 2 286.376 -1.053 20 0 CAADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)CCCc1nn[nH]n1 ZINC000636279485 409350613 /nfs/dbraw/zinc/35/06/13/409350613.db2.gz RFKGTWQPLLRFBM-VIFPVBQESA-N 1 2 268.321 -1.031 20 0 CAADLO C[N@H+]1CCOC[C@@H]1CNC(=O)CCCc1nn[nH]n1 ZINC000636279485 409350617 /nfs/dbraw/zinc/35/06/17/409350617.db2.gz RFKGTWQPLLRFBM-VIFPVBQESA-N 1 2 268.321 -1.031 20 0 CAADLO O=C1C[C@@H]([N@H+]2C[C@@H](O)[C@@H](O)C2)C(=O)N1c1cnccn1 ZINC000653282324 409353149 /nfs/dbraw/zinc/35/31/49/409353149.db2.gz VQUWKGRNLQGKPQ-HLTSFMKQSA-N 1 2 278.268 -1.854 20 0 CAADLO O=C1C[C@@H]([N@@H+]2C[C@@H](O)[C@@H](O)C2)C(=O)N1c1cnccn1 ZINC000653282324 409353154 /nfs/dbraw/zinc/35/31/54/409353154.db2.gz VQUWKGRNLQGKPQ-HLTSFMKQSA-N 1 2 278.268 -1.854 20 0 CAADLO CS(=O)(=O)N[C@@H]1CCC[N@@H+]([C@H]2CC(=O)NC2=O)C1 ZINC000653279443 409353599 /nfs/dbraw/zinc/35/35/99/409353599.db2.gz BUDVWVNSSOHGGE-SFYZADRCSA-N 1 2 275.330 -1.585 20 0 CAADLO CS(=O)(=O)N[C@@H]1CCC[N@H+]([C@H]2CC(=O)NC2=O)C1 ZINC000653279443 409353605 /nfs/dbraw/zinc/35/36/05/409353605.db2.gz BUDVWVNSSOHGGE-SFYZADRCSA-N 1 2 275.330 -1.585 20 0 CAADLO CCNC(=O)CNC(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C ZINC000353030853 409459729 /nfs/dbraw/zinc/45/97/29/409459729.db2.gz NNIPTBHEDRKDAY-ZJUUUORDSA-N 1 2 270.333 -1.153 20 0 CAADLO CCNC(=O)CNC(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C ZINC000353030853 409459733 /nfs/dbraw/zinc/45/97/33/409459733.db2.gz NNIPTBHEDRKDAY-ZJUUUORDSA-N 1 2 270.333 -1.153 20 0 CAADLO CS(=O)(=O)N1CC[NH+](CCN2CCNC2=O)CC1 ZINC000336785790 409402697 /nfs/dbraw/zinc/40/26/97/409402697.db2.gz AKJDVMOSKDRYSN-UHFFFAOYSA-N 1 2 276.362 -1.411 20 0 CAADLO CCS(=O)(=O)N1CC[NH+](CCN2CCNC2=O)CC1 ZINC000336810405 409402736 /nfs/dbraw/zinc/40/27/36/409402736.db2.gz HRKDBXWWMJTDLJ-UHFFFAOYSA-N 1 2 290.389 -1.021 20 0 CAADLO CC[N@H+](CC(N)=O)CC(=O)NCC(=O)NC(C)(C)C ZINC000355566705 409404327 /nfs/dbraw/zinc/40/43/27/409404327.db2.gz WLXGZQMZVHBNIF-UHFFFAOYSA-N 1 2 272.349 -1.176 20 0 CAADLO CC[N@@H+](CC(N)=O)CC(=O)NCC(=O)NC(C)(C)C ZINC000355566705 409404336 /nfs/dbraw/zinc/40/43/36/409404336.db2.gz WLXGZQMZVHBNIF-UHFFFAOYSA-N 1 2 272.349 -1.176 20 0 CAADLO O=C(NCC1([NH+]2CCOCC2)CC1)N1C[C@@H](O)C[C@H]1CO ZINC000365602292 409404442 /nfs/dbraw/zinc/40/44/42/409404442.db2.gz WIXYRPVYTZMOFC-RYUDHWBXSA-N 1 2 299.371 -1.012 20 0 CAADLO Cn1ncc(C(=O)N[C@@H](CO)C[NH+]2CCOCC2)c1N ZINC000644885712 409405260 /nfs/dbraw/zinc/40/52/60/409405260.db2.gz XTOLSOREAISTSG-SECBINFHSA-N 1 2 283.332 -1.575 20 0 CAADLO CCC(=O)N[C@@H](C)C(=O)N[C@H](CO)C[NH+]1CCOCC1 ZINC000644884841 409405371 /nfs/dbraw/zinc/40/53/71/409405371.db2.gz ARDXVEJEOFXBFK-QWRGUYRKSA-N 1 2 287.360 -1.290 20 0 CAADLO CCC(=O)N[C@H](C)C(=O)N[C@H](CO)C[NH+]1CCOCC1 ZINC000644884840 409405480 /nfs/dbraw/zinc/40/54/80/409405480.db2.gz ARDXVEJEOFXBFK-MNOVXSKESA-N 1 2 287.360 -1.290 20 0 CAADLO CCC(=O)N[C@H](C)C(=O)N[C@@H](CO)C[NH+]1CCOCC1 ZINC000644884835 409405491 /nfs/dbraw/zinc/40/54/91/409405491.db2.gz ARDXVEJEOFXBFK-GHMZBOCLSA-N 1 2 287.360 -1.290 20 0 CAADLO CN1CC[C@@H](C(=O)N[C@@H](CO)C[NH+]2CCOCC2)C1=O ZINC000644885374 409405600 /nfs/dbraw/zinc/40/56/00/409405600.db2.gz GSJMFCZMLZWHLS-MNOVXSKESA-N 1 2 285.344 -1.726 20 0 CAADLO CN1C[C@@H](C(=O)N[C@@H](CO)C[NH+]2CCOCC2)CC1=O ZINC000644885003 409406040 /nfs/dbraw/zinc/40/60/40/409406040.db2.gz KZBCPILUMFJZLY-WDEREUQCSA-N 1 2 285.344 -1.726 20 0 CAADLO CCN1C[C@H](C(=O)N[C@H](CO)C[NH+]2CCOCC2)CC1=O ZINC000644884847 409406091 /nfs/dbraw/zinc/40/60/91/409406091.db2.gz AUBNJBZPPYEINV-NEPJUHHUSA-N 1 2 299.371 -1.336 20 0 CAADLO CN1CC[C@@H](C(=O)N[C@H](CO)C[NH+]2CCOCC2)C1=O ZINC000644885377 409406356 /nfs/dbraw/zinc/40/63/56/409406356.db2.gz GSJMFCZMLZWHLS-QWRGUYRKSA-N 1 2 285.344 -1.726 20 0 CAADLO C[C@@]1(C(=O)N[C@H](CO)C[NH+]2CCOCC2)CCC(=O)NC1 ZINC000644886954 409406374 /nfs/dbraw/zinc/40/63/74/409406374.db2.gz JXVGEKGUWAJOFP-SMDDNHRTSA-N 1 2 299.371 -1.288 20 0 CAADLO Cn1ncc(C(=O)N[C@H](CO)C[NH+]2CCOCC2)c1N ZINC000644885715 409406526 /nfs/dbraw/zinc/40/65/26/409406526.db2.gz XTOLSOREAISTSG-VIFPVBQESA-N 1 2 283.332 -1.575 20 0 CAADLO CCN1C[C@H](C(=O)N[C@@H](CO)C[NH+]2CCOCC2)CC1=O ZINC000644884850 409406985 /nfs/dbraw/zinc/40/69/85/409406985.db2.gz AUBNJBZPPYEINV-VXGBXAGGSA-N 1 2 299.371 -1.336 20 0 CAADLO CCNC(=O)CC(=O)N[C@@H](CO)C[NH+]1CCOCC1 ZINC000644885312 409407126 /nfs/dbraw/zinc/40/71/26/409407126.db2.gz ALBQNYBFTHFUMI-SNVBAGLBSA-N 1 2 273.333 -1.678 20 0 CAADLO NC(=O)[C@@H]1CN(c2nc[nH+]c3c2OCCN3)CCO1 ZINC000647863258 409411567 /nfs/dbraw/zinc/41/15/67/409411567.db2.gz XUUCKHQAFQJDTD-ZETCQYMHSA-N 1 2 265.273 -1.029 20 0 CAADLO NC(=O)[C@@H]1CN(c2[nH+]cnc3c2OCCN3)CCO1 ZINC000647863258 409411575 /nfs/dbraw/zinc/41/15/75/409411575.db2.gz XUUCKHQAFQJDTD-ZETCQYMHSA-N 1 2 265.273 -1.029 20 0 CAADLO O=C1CCC(=O)N1CCNc1[nH+]cnc2c1OCCN2 ZINC000647869029 409415555 /nfs/dbraw/zinc/41/55/55/409415555.db2.gz VIOCHLJCGLWXPJ-UHFFFAOYSA-N 1 2 277.284 -1.046 20 0 CAADLO O=C1CCC(=O)N1CCNc1nc[nH+]c2c1OCCN2 ZINC000647869029 409415556 /nfs/dbraw/zinc/41/55/56/409415556.db2.gz VIOCHLJCGLWXPJ-UHFFFAOYSA-N 1 2 277.284 -1.046 20 0 CAADLO C[C@H](O)C(=O)N1CC[NH+](CCc2cn[nH]n2)CC1 ZINC000647969867 409419860 /nfs/dbraw/zinc/41/98/60/409419860.db2.gz WALOVDRBVURPRA-VIFPVBQESA-N 1 2 253.306 -1.128 20 0 CAADLO CCN1OC[C@H](N(C)C[C@H](O)C[NH+]2CCOCC2)C1=O ZINC000647966336 409420897 /nfs/dbraw/zinc/42/08/97/409420897.db2.gz OIBRIZGIOOBORT-RYUDHWBXSA-N 1 2 287.360 -1.226 20 0 CAADLO C[C@@H](O)C(=O)N1CC[NH+](CCc2cn[nH]n2)CC1 ZINC000647969866 409421467 /nfs/dbraw/zinc/42/14/67/409421467.db2.gz WALOVDRBVURPRA-SECBINFHSA-N 1 2 253.306 -1.128 20 0 CAADLO CCOC(=O)[C@@](C)(O)C[N@@H+]1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000331055232 409422955 /nfs/dbraw/zinc/42/29/55/409422955.db2.gz KMLIOULTZNEGOT-PELKAZGASA-N 1 2 285.300 -1.464 20 0 CAADLO CCOC(=O)[C@@](C)(O)C[N@H+]1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000331055232 409422960 /nfs/dbraw/zinc/42/29/60/409422960.db2.gz KMLIOULTZNEGOT-PELKAZGASA-N 1 2 285.300 -1.464 20 0 CAADLO COC(=O)[C@](C)(O)C[N@@H+]1CCO[C@H](CNC(C)=O)C1 ZINC000331201370 409423095 /nfs/dbraw/zinc/42/30/95/409423095.db2.gz VMEWLKJVVMAEBH-ZYHUDNBSSA-N 1 2 274.317 -1.253 20 0 CAADLO COC(=O)[C@](C)(O)C[N@H+]1CCO[C@H](CNC(C)=O)C1 ZINC000331201370 409423101 /nfs/dbraw/zinc/42/31/01/409423101.db2.gz VMEWLKJVVMAEBH-ZYHUDNBSSA-N 1 2 274.317 -1.253 20 0 CAADLO CCOC(=O)[C@](C)(O)C[N@@H+]1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000331055235 409424912 /nfs/dbraw/zinc/42/49/12/409424912.db2.gz KMLIOULTZNEGOT-QPUJVOFHSA-N 1 2 285.300 -1.464 20 0 CAADLO CCOC(=O)[C@](C)(O)C[N@H+]1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000331055235 409424917 /nfs/dbraw/zinc/42/49/17/409424917.db2.gz KMLIOULTZNEGOT-QPUJVOFHSA-N 1 2 285.300 -1.464 20 0 CAADLO COC[C@H]1C[C@@H](O)CN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000652822826 409426229 /nfs/dbraw/zinc/42/62/29/409426229.db2.gz KVXGOUXQBSANCB-MXWKQRLJSA-N 1 2 258.318 -1.075 20 0 CAADLO COC[C@H]1C[C@@H](O)CN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000652822826 409426234 /nfs/dbraw/zinc/42/62/34/409426234.db2.gz KVXGOUXQBSANCB-MXWKQRLJSA-N 1 2 258.318 -1.075 20 0 CAADLO C[C@@H](O)C(=O)NCC(=O)NCC[NH+]1CCOCC1 ZINC000345591568 409428953 /nfs/dbraw/zinc/42/89/53/409428953.db2.gz GZIORTHOJFHILG-SECBINFHSA-N 1 2 259.306 -2.068 20 0 CAADLO C[C@@H]1C[N@H+](CCCS(N)(=O)=O)CCN1S(C)(=O)=O ZINC000345839232 409429204 /nfs/dbraw/zinc/42/92/04/409429204.db2.gz PUEBBWTWTCKFRK-SECBINFHSA-N 1 2 299.418 -1.369 20 0 CAADLO C[C@@H]1C[N@@H+](CCCS(N)(=O)=O)CCN1S(C)(=O)=O ZINC000345839232 409429208 /nfs/dbraw/zinc/42/92/08/409429208.db2.gz PUEBBWTWTCKFRK-SECBINFHSA-N 1 2 299.418 -1.369 20 0 CAADLO C[C@H](O)C(=O)NCC(=O)NCC[NH+]1CCOCC1 ZINC000345591569 409429387 /nfs/dbraw/zinc/42/93/87/409429387.db2.gz GZIORTHOJFHILG-VIFPVBQESA-N 1 2 259.306 -2.068 20 0 CAADLO C[C@@H](O)C(=O)N1CC[NH+]([C@H]2CCCNC2=O)CC1 ZINC000346215365 409432421 /nfs/dbraw/zinc/43/24/21/409432421.db2.gz RTZHTHZAHOSNBL-ZJUUUORDSA-N 1 2 255.318 -1.210 20 0 CAADLO C[C@H](O)C(=O)N1CC[NH+]([C@@H]2CCCNC2=O)CC1 ZINC000346215364 409432526 /nfs/dbraw/zinc/43/25/26/409432526.db2.gz RTZHTHZAHOSNBL-VHSXEESVSA-N 1 2 255.318 -1.210 20 0 CAADLO COC[C@H](O)CCNC(=O)C[N@H+](C)CC(=O)NC(C)C ZINC000345963467 409432809 /nfs/dbraw/zinc/43/28/09/409432809.db2.gz YITVIYQWRNMAJA-LLVKDONJSA-N 1 2 289.376 -1.044 20 0 CAADLO COC[C@H](O)CCNC(=O)C[N@@H+](C)CC(=O)NC(C)C ZINC000345963467 409432813 /nfs/dbraw/zinc/43/28/13/409432813.db2.gz YITVIYQWRNMAJA-LLVKDONJSA-N 1 2 289.376 -1.044 20 0 CAADLO COC[C@@H](O)CCNC(=O)C[N@H+](C)CC(=O)NC(C)C ZINC000345963469 409433009 /nfs/dbraw/zinc/43/30/09/409433009.db2.gz YITVIYQWRNMAJA-NSHDSACASA-N 1 2 289.376 -1.044 20 0 CAADLO COC[C@@H](O)CCNC(=O)C[N@@H+](C)CC(=O)NC(C)C ZINC000345963469 409433013 /nfs/dbraw/zinc/43/30/13/409433013.db2.gz YITVIYQWRNMAJA-NSHDSACASA-N 1 2 289.376 -1.044 20 0 CAADLO C[C@@H](O)C(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000345871931 409433602 /nfs/dbraw/zinc/43/36/02/409433602.db2.gz DHJGHVKTGRQFAP-GHMZBOCLSA-N 1 2 285.344 -1.584 20 0 CAADLO C[C@@H](O)C(=O)N1CC[NH+]([C@@H]2CCCNC2=O)CC1 ZINC000346215362 409434694 /nfs/dbraw/zinc/43/46/94/409434694.db2.gz RTZHTHZAHOSNBL-NXEZZACHSA-N 1 2 255.318 -1.210 20 0 CAADLO Cc1[nH+]c[nH]c1CC(=O)N1CCN(C(=O)CO)CC1 ZINC000346816373 409436642 /nfs/dbraw/zinc/43/66/42/409436642.db2.gz DRYFGFIFHHMTOG-UHFFFAOYSA-N 1 2 266.301 -1.076 20 0 CAADLO C[C@@H](O)[C@H](NC(=O)C1CC1)C(=O)NCC[NH+]1CCOCC1 ZINC000354412348 409461192 /nfs/dbraw/zinc/46/11/92/409461192.db2.gz KLPGOITXFOWMIV-PWSUYJOCSA-N 1 2 299.371 -1.290 20 0 CAADLO COC(=O)CCNC(=O)C[N@@H+]1C[C@@H](C)O[C@H](CO)C1 ZINC000346971380 409440014 /nfs/dbraw/zinc/44/00/14/409440014.db2.gz HCEBEGPPYJNZEN-ZJUUUORDSA-N 1 2 274.317 -1.253 20 0 CAADLO COC(=O)CCNC(=O)C[N@H+]1C[C@@H](C)O[C@H](CO)C1 ZINC000346971380 409440022 /nfs/dbraw/zinc/44/00/22/409440022.db2.gz HCEBEGPPYJNZEN-ZJUUUORDSA-N 1 2 274.317 -1.253 20 0 CAADLO CC[NH+]1CCN(C(=O)C(=O)N[C@H]2CCC(=O)N(C)C2)CC1 ZINC000348628649 409440343 /nfs/dbraw/zinc/44/03/43/409440343.db2.gz UNOCGBHAYGHPBR-NSHDSACASA-N 1 2 296.371 -1.113 20 0 CAADLO O=C(CN1CC[NH2+]CC1=O)NCCCn1cncn1 ZINC000645461492 409442505 /nfs/dbraw/zinc/44/25/05/409442505.db2.gz YXZMDXZRNKYIDN-UHFFFAOYSA-N 1 2 266.305 -1.784 20 0 CAADLO Cc1c(NC(=O)C(=O)N2CC[NH+](CCO)CC2)cnn1C ZINC000349072461 409442532 /nfs/dbraw/zinc/44/25/32/409442532.db2.gz IRZXULASIVLXMC-UHFFFAOYSA-N 1 2 295.343 -1.196 20 0 CAADLO O=C(C[C@H]1CCCC(=O)N1)NCCC[N@@H+]1CCNC(=O)C1 ZINC000349081019 409442827 /nfs/dbraw/zinc/44/28/27/409442827.db2.gz USCRWZHAMCLGES-LLVKDONJSA-N 1 2 296.371 -1.017 20 0 CAADLO O=C(C[C@H]1CCCC(=O)N1)NCCC[N@H+]1CCNC(=O)C1 ZINC000349081019 409442834 /nfs/dbraw/zinc/44/28/34/409442834.db2.gz USCRWZHAMCLGES-LLVKDONJSA-N 1 2 296.371 -1.017 20 0 CAADLO O=C(CN1CC[NH2+]CC1=O)N[C@H]1CCC[C@H](O)C1 ZINC000648048974 409446323 /nfs/dbraw/zinc/44/63/23/409446323.db2.gz ZJCTVQUQSVFVMD-UWVGGRQHSA-N 1 2 255.318 -1.162 20 0 CAADLO CN(C)S(=O)(=O)[C@@H]1CCC[N@@H+]([C@H]2CC(=O)NC2=O)C1 ZINC000519648725 409446597 /nfs/dbraw/zinc/44/65/97/409446597.db2.gz QSNNVDXCYCBOPR-BDAKNGLRSA-N 1 2 289.357 -1.243 20 0 CAADLO CN(C)S(=O)(=O)[C@@H]1CCC[N@H+]([C@H]2CC(=O)NC2=O)C1 ZINC000519648725 409446602 /nfs/dbraw/zinc/44/66/02/409446602.db2.gz QSNNVDXCYCBOPR-BDAKNGLRSA-N 1 2 289.357 -1.243 20 0 CAADLO NC(=O)CN1CC[N@H+](C[C@H]2CNc3ccnn3C2)CC1=O ZINC000648043273 409447215 /nfs/dbraw/zinc/44/72/15/409447215.db2.gz PHMFQPDVDKBTIO-SNVBAGLBSA-N 1 2 292.343 -1.446 20 0 CAADLO NC(=O)CN1CC[N@@H+](C[C@H]2CNc3ccnn3C2)CC1=O ZINC000648043273 409447221 /nfs/dbraw/zinc/44/72/21/409447221.db2.gz PHMFQPDVDKBTIO-SNVBAGLBSA-N 1 2 292.343 -1.446 20 0 CAADLO Cn1cc(C[NH+]2CCN([C@H]3CC(=O)NC3=O)CC2)cn1 ZINC000519701662 409448196 /nfs/dbraw/zinc/44/81/96/409448196.db2.gz GFNCURUPMCZQHI-NSHDSACASA-N 1 2 277.328 -1.047 20 0 CAADLO CC[C@](NC(=O)CN1CC[NH2+]CC1=O)(C(N)=O)C(C)C ZINC000519706081 409448209 /nfs/dbraw/zinc/44/82/09/409448209.db2.gz NBZHIMQQIPRMLC-CYBMUJFWSA-N 1 2 284.360 -1.176 20 0 CAADLO Cc1cc(NC(=O)NC(CO)(CO)CO)c(C)c[nH+]1 ZINC000519626492 409448395 /nfs/dbraw/zinc/44/83/95/409448395.db2.gz GOFGHKOAWISCDT-UHFFFAOYSA-N 1 2 269.301 -1.042 20 0 CAADLO CN1CCN(CC(=O)N2C[C@H]3OCC[N@H+](C)[C@@H]3C2)CC1=O ZINC000329608334 409448982 /nfs/dbraw/zinc/44/89/82/409448982.db2.gz NBVLKKICVYBFOZ-VXGBXAGGSA-N 1 2 296.371 -1.698 20 0 CAADLO CN1CCN(CC(=O)N2C[C@H]3OCC[N@@H+](C)[C@@H]3C2)CC1=O ZINC000329608334 409448986 /nfs/dbraw/zinc/44/89/86/409448986.db2.gz NBVLKKICVYBFOZ-VXGBXAGGSA-N 1 2 296.371 -1.698 20 0 CAADLO C[NH+]1CCN(C(=O)CN2CCn3c(n[nH]c3=O)C2)CC1 ZINC000329609705 409449506 /nfs/dbraw/zinc/44/95/06/409449506.db2.gz NMRUXKBYIMNQTN-UHFFFAOYSA-N 1 2 280.332 -1.427 20 0 CAADLO CCOC(=O)COCC[NH+]1CCN(C(=O)CO)CC1 ZINC000351716518 409450536 /nfs/dbraw/zinc/45/05/36/409450536.db2.gz NIIXUAAGBHKRBE-UHFFFAOYSA-N 1 2 274.317 -1.297 20 0 CAADLO C[C@@H](O)CNc1cc(N2CCO[C@H](C(N)=O)C2)nc[nH+]1 ZINC000354356049 409462502 /nfs/dbraw/zinc/46/25/02/409462502.db2.gz ZOYLUJMFJKWHTO-BDAKNGLRSA-N 1 2 281.316 -1.040 20 0 CAADLO CC(=O)N1CC(C(=O)NC[C@@H](O)C[NH+]2CCOCC2)C1 ZINC000331440920 409452737 /nfs/dbraw/zinc/45/27/37/409452737.db2.gz OWJGPLGEGCSXJO-GFCCVEGCSA-N 1 2 285.344 -1.726 20 0 CAADLO C[C@@H]1COCCN1CC[N@@H+]1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC000329933333 409453787 /nfs/dbraw/zinc/45/37/87/409453787.db2.gz JDYQHKZKTGHGOM-VXGBXAGGSA-N 1 2 296.371 -1.650 20 0 CAADLO C[C@@H]1COCCN1CC[N@H+]1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC000329933333 409453793 /nfs/dbraw/zinc/45/37/93/409453793.db2.gz JDYQHKZKTGHGOM-VXGBXAGGSA-N 1 2 296.371 -1.650 20 0 CAADLO C[C@@H](O)CNc1cc(N2CCO[C@H](C(N)=O)C2)[nH+]cn1 ZINC000354356049 409462508 /nfs/dbraw/zinc/46/25/08/409462508.db2.gz ZOYLUJMFJKWHTO-BDAKNGLRSA-N 1 2 281.316 -1.040 20 0 CAADLO O=C(CNC(=O)COC(F)F)NCC[NH+]1CCOCC1 ZINC000352953315 409457167 /nfs/dbraw/zinc/45/71/67/409457167.db2.gz AXNGFIFVAWDWCL-UHFFFAOYSA-N 1 2 295.286 -1.210 20 0 CAADLO O=C(CN1CC[NH2+]CC1=O)Nc1c[nH]ccc1=O ZINC000645538197 409466330 /nfs/dbraw/zinc/46/63/30/409466330.db2.gz KRGMIVRYEXWKBC-UHFFFAOYSA-N 1 2 250.258 -1.255 20 0 CAADLO CNC(=O)C[N@H+](C)CCNS(=O)(=O)CCCOC ZINC000355790564 409466348 /nfs/dbraw/zinc/46/63/48/409466348.db2.gz IFBHYJIRDAILAT-UHFFFAOYSA-N 1 2 281.378 -1.380 20 0 CAADLO CNC(=O)C[N@@H+](C)CCNS(=O)(=O)CCCOC ZINC000355790564 409466352 /nfs/dbraw/zinc/46/63/52/409466352.db2.gz IFBHYJIRDAILAT-UHFFFAOYSA-N 1 2 281.378 -1.380 20 0 CAADLO CN(C)S(=O)(=O)CC[N@@H+]1CCN2CCOC[C@H]2C1 ZINC000367211485 409466441 /nfs/dbraw/zinc/46/64/41/409466441.db2.gz LCBYGLKIOOIXIR-LLVKDONJSA-N 1 2 277.390 -1.106 20 0 CAADLO CN(C)S(=O)(=O)CC[N@H+]1CCN2CCOC[C@H]2C1 ZINC000367211485 409466445 /nfs/dbraw/zinc/46/64/45/409466445.db2.gz LCBYGLKIOOIXIR-LLVKDONJSA-N 1 2 277.390 -1.106 20 0 CAADLO CCNC(=O)CC(=O)N1CCC[N@H+](CC(N)=O)CC1 ZINC001195570502 782011580 /nfs/dbraw/zinc/01/15/80/782011580.db2.gz JKYKXDCDVZXBRC-UHFFFAOYSA-N 1 2 270.333 -1.468 20 0 CAADLO CCNC(=O)CC(=O)N1CCC[N@@H+](CC(N)=O)CC1 ZINC001195570502 782011588 /nfs/dbraw/zinc/01/15/88/782011588.db2.gz JKYKXDCDVZXBRC-UHFFFAOYSA-N 1 2 270.333 -1.468 20 0 CAADLO CNC(=O)CC(=O)N1CCC[N@H+](Cc2cnnn2C)CC1 ZINC001195624969 782011828 /nfs/dbraw/zinc/01/18/28/782011828.db2.gz BIGNQUWTPWUFOY-UHFFFAOYSA-N 1 2 294.359 -1.015 20 0 CAADLO CNC(=O)CC(=O)N1CCC[N@@H+](Cc2cnnn2C)CC1 ZINC001195624969 782011838 /nfs/dbraw/zinc/01/18/38/782011838.db2.gz BIGNQUWTPWUFOY-UHFFFAOYSA-N 1 2 294.359 -1.015 20 0 CAADLO CC[C@@H](NS(=O)(=O)CCC[NH+]1CCOCC1)C(N)=O ZINC000360281274 409468480 /nfs/dbraw/zinc/46/84/80/409468480.db2.gz DEHMXCJBGXFJQP-SNVBAGLBSA-N 1 2 293.389 -1.108 20 0 CAADLO CC(C)NC(=O)C[N@H+](C)CC(=O)N(C)C[C@H](O)CO ZINC000354156858 409462871 /nfs/dbraw/zinc/46/28/71/409462871.db2.gz BWGZVMGJEQPZNP-JTQLQIEISA-N 1 2 275.349 -1.746 20 0 CAADLO CC(C)NC(=O)C[N@@H+](C)CC(=O)N(C)C[C@H](O)CO ZINC000354156858 409462873 /nfs/dbraw/zinc/46/28/73/409462873.db2.gz BWGZVMGJEQPZNP-JTQLQIEISA-N 1 2 275.349 -1.746 20 0 CAADLO C[C@H](O)CNc1cc(N2CCO[C@H](C(N)=O)C2)nc[nH+]1 ZINC000354356051 409462890 /nfs/dbraw/zinc/46/28/90/409462890.db2.gz ZOYLUJMFJKWHTO-IUCAKERBSA-N 1 2 281.316 -1.040 20 0 CAADLO C[C@H](O)CNc1cc(N2CCO[C@H](C(N)=O)C2)[nH+]cn1 ZINC000354356051 409462893 /nfs/dbraw/zinc/46/28/93/409462893.db2.gz ZOYLUJMFJKWHTO-IUCAKERBSA-N 1 2 281.316 -1.040 20 0 CAADLO O=C1C[N@H+](CCCNc2nccc(CO)n2)CCN1 ZINC000362648557 409468775 /nfs/dbraw/zinc/46/87/75/409468775.db2.gz JZHVZQRIFYCLIO-UHFFFAOYSA-N 1 2 265.317 -0.797 20 0 CAADLO O=C1C[N@@H+](CCCNc2nccc(CO)n2)CCN1 ZINC000362648557 409468782 /nfs/dbraw/zinc/46/87/82/409468782.db2.gz JZHVZQRIFYCLIO-UHFFFAOYSA-N 1 2 265.317 -0.797 20 0 CAADLO Cn1cnc(C(=O)NCCC[N@@H+]2CCNC(=O)C2)n1 ZINC000355392248 409464828 /nfs/dbraw/zinc/46/48/28/409464828.db2.gz ZWIBIPLFIIUZKQ-UHFFFAOYSA-N 1 2 266.305 -1.633 20 0 CAADLO Cn1cnc(C(=O)NCCC[N@H+]2CCNC(=O)C2)n1 ZINC000355392248 409464830 /nfs/dbraw/zinc/46/48/30/409464830.db2.gz ZWIBIPLFIIUZKQ-UHFFFAOYSA-N 1 2 266.305 -1.633 20 0 CAADLO COC(=O)[C@H]1C[C@H](OC)C[N@H+]1CCC(=O)NC(N)=O ZINC000369382052 409469266 /nfs/dbraw/zinc/46/92/66/409469266.db2.gz VOPPQRKORCDTJC-JGVFFNPUSA-N 1 2 273.289 -1.166 20 0 CAADLO COC(=O)[C@H]1C[C@H](OC)C[N@@H+]1CCC(=O)NC(N)=O ZINC000369382052 409469271 /nfs/dbraw/zinc/46/92/71/409469271.db2.gz VOPPQRKORCDTJC-JGVFFNPUSA-N 1 2 273.289 -1.166 20 0 CAADLO Cc1nn(CC(=O)NC[C@H]2C[NH+]3CCN2CC3)c(=O)n1C ZINC000653712022 409476933 /nfs/dbraw/zinc/47/69/33/409476933.db2.gz GFBZYJSZFKASOF-NSHDSACASA-N 1 2 294.359 -1.994 20 0 CAADLO CNS(=O)(=O)C[C@H]1CCC[N@@H+]1CC(=O)NC(N)=O ZINC000426185140 409479673 /nfs/dbraw/zinc/47/96/73/409479673.db2.gz BFMWYAVJDWSQOT-SSDOTTSWSA-N 1 2 278.334 -1.805 20 0 CAADLO CNS(=O)(=O)C[C@H]1CCC[N@H+]1CC(=O)NC(N)=O ZINC000426185140 409479678 /nfs/dbraw/zinc/47/96/78/409479678.db2.gz BFMWYAVJDWSQOT-SSDOTTSWSA-N 1 2 278.334 -1.805 20 0 CAADLO C[C@@H]1C(=O)N(C)CN1C[C@@H](O)C[NH+]1CCOCC1 ZINC000646121116 409482824 /nfs/dbraw/zinc/48/28/24/409482824.db2.gz UMSGOAVLJRVKNM-MNOVXSKESA-N 1 2 257.334 -1.201 20 0 CAADLO CC(=O)NCC[N@@H+](C)CC(=O)N[C@@H](C)C(=O)N(C)C ZINC000646045335 409482847 /nfs/dbraw/zinc/48/28/47/409482847.db2.gz LEDKGXNAYFQTNQ-VIFPVBQESA-N 1 2 272.349 -1.353 20 0 CAADLO CC(=O)NCC[N@H+](C)CC(=O)N[C@@H](C)C(=O)N(C)C ZINC000646045335 409482851 /nfs/dbraw/zinc/48/28/51/409482851.db2.gz LEDKGXNAYFQTNQ-VIFPVBQESA-N 1 2 272.349 -1.353 20 0 CAADLO C[C@H]1C(=O)N(C)CN1C[C@H](O)C[NH+]1CCOCC1 ZINC000646121118 409483479 /nfs/dbraw/zinc/48/34/79/409483479.db2.gz UMSGOAVLJRVKNM-WDEREUQCSA-N 1 2 257.334 -1.201 20 0 CAADLO C[C@H]1C(=O)N(C)CN1C[C@@H](O)C[NH+]1CCOCC1 ZINC000646121117 409483490 /nfs/dbraw/zinc/48/34/90/409483490.db2.gz UMSGOAVLJRVKNM-QWRGUYRKSA-N 1 2 257.334 -1.201 20 0 CAADLO O=C(CN1CCOCC1=O)NC[C@H]1CN2CC[N@@H+]1CCC2 ZINC000646119488 409484034 /nfs/dbraw/zinc/48/40/34/409484034.db2.gz PJZBEEMOIOFZGZ-LBPRGKRZSA-N 1 2 296.371 -1.649 20 0 CAADLO O=C(CN1CCOCC1=O)NC[C@H]1CN2CC[N@H+]1CCC2 ZINC000646119488 409484038 /nfs/dbraw/zinc/48/40/38/409484038.db2.gz PJZBEEMOIOFZGZ-LBPRGKRZSA-N 1 2 296.371 -1.649 20 0 CAADLO CN1C(=O)CC[C@@H]1C(=O)N[C@H](CO)C[NH+]1CCOCC1 ZINC000646077331 409484269 /nfs/dbraw/zinc/48/42/69/409484269.db2.gz WLVINOLJNYUBIF-WDEREUQCSA-N 1 2 285.344 -1.584 20 0 CAADLO O=C(CCN1CCCC1=O)N[C@@H](CO)C[NH+]1CCOCC1 ZINC000646076840 409484361 /nfs/dbraw/zinc/48/43/61/409484361.db2.gz OELVDXYPDPQCND-GFCCVEGCSA-N 1 2 299.371 -1.192 20 0 CAADLO CO[C@H](CNC(=O)CN1CC[NH2+]CC1=O)[C@@H]1CCOC1 ZINC000659333037 409484664 /nfs/dbraw/zinc/48/46/64/409484664.db2.gz PKFXJWYVKGPIBQ-GHMZBOCLSA-N 1 2 285.344 -1.414 20 0 CAADLO C[C@@H](CO[C@@H]1CCOC1)NC(=O)CN1CC[NH2+]CC1=O ZINC000646191902 409485739 /nfs/dbraw/zinc/48/57/39/409485739.db2.gz CBIRTYPWFMROOD-WDEREUQCSA-N 1 2 285.344 -1.272 20 0 CAADLO O=C(CN1CC[NH2+]CC1=O)N1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000646216090 409485962 /nfs/dbraw/zinc/48/59/62/409485962.db2.gz GIUBLTYCEQYBDR-NWDGAFQWSA-N 1 2 297.355 -1.175 20 0 CAADLO C[C@H](CO[C@@H]1CCOC1)NC(=O)CN1CC[NH2+]CC1=O ZINC000646191899 409486028 /nfs/dbraw/zinc/48/60/28/409486028.db2.gz CBIRTYPWFMROOD-GHMZBOCLSA-N 1 2 285.344 -1.272 20 0 CAADLO CCN(CCO)C(=O)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000658412853 409488437 /nfs/dbraw/zinc/48/84/37/409488437.db2.gz DAFQVRVDJKVJIX-GFCCVEGCSA-N 1 2 299.371 -1.240 20 0 CAADLO COC(=O)[C@H]1CNC(=O)CN1CC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000447924846 409482147 /nfs/dbraw/zinc/48/21/47/409482147.db2.gz XRVZMFXTTNXZKV-GRYCIOLGSA-N 1 2 297.355 -1.177 20 0 CAADLO COC(=O)[C@H]1CNC(=O)CN1CC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000447924846 409482150 /nfs/dbraw/zinc/48/21/50/409482150.db2.gz XRVZMFXTTNXZKV-GRYCIOLGSA-N 1 2 297.355 -1.177 20 0 CAADLO Cn1cnnc1N1CC[NH+](CCNS(C)(=O)=O)CC1 ZINC000653818366 409495732 /nfs/dbraw/zinc/49/57/32/409495732.db2.gz GHYXZTZSGHZJHL-UHFFFAOYSA-N 1 2 288.377 -1.514 20 0 CAADLO O=C(CN1CC[NH2+]CC1=O)N[C@H]1CCCC[C@@H]1O ZINC000646451515 409489291 /nfs/dbraw/zinc/48/92/91/409489291.db2.gz GMFOJGONMRHVMS-UWVGGRQHSA-N 1 2 255.318 -1.162 20 0 CAADLO CN1NN=C2C1=NCC[C@H]2C(=O)NCC[NH+]1CCOCC1 ZINC000646583524 409489596 /nfs/dbraw/zinc/48/95/96/409489596.db2.gz VECCAKXYVMLALQ-SNVBAGLBSA-N 1 2 294.359 -1.341 20 0 CAADLO CCN1CC[C@@H]([N@@H+]2CCN3C(=O)C(=O)NC[C@@H]3C2)C1=O ZINC000660009073 409490627 /nfs/dbraw/zinc/49/06/27/409490627.db2.gz LQNRIYBIGFXKFH-NXEZZACHSA-N 1 2 280.328 -1.750 20 0 CAADLO CCN1CC[C@@H]([N@H+]2CCN3C(=O)C(=O)NC[C@@H]3C2)C1=O ZINC000660009073 409490629 /nfs/dbraw/zinc/49/06/29/409490629.db2.gz LQNRIYBIGFXKFH-NXEZZACHSA-N 1 2 280.328 -1.750 20 0 CAADLO CC(C)(CNC(=O)[C@@H]1CC(=O)NC(=O)N1)[NH+]1CCOCC1 ZINC000646558071 409490758 /nfs/dbraw/zinc/49/07/58/409490758.db2.gz KRWVFFMQONRHKA-VIFPVBQESA-N 1 2 298.343 -1.189 20 0 CAADLO O=C(CN1CC[NH2+]CC1=O)NCCc1ncc[nH]1 ZINC000646441095 409490792 /nfs/dbraw/zinc/49/07/92/409490792.db2.gz ZNSBTAQGQOBFME-UHFFFAOYSA-N 1 2 251.290 -1.500 20 0 CAADLO O=C(NC[C@H](O)C[NH+]1CCOCC1)c1cc(O)cc(=O)[nH]1 ZINC000646649941 409492125 /nfs/dbraw/zinc/49/21/25/409492125.db2.gz CHSFYXDFNLJFCX-JTQLQIEISA-N 1 2 297.311 -1.084 20 0 CAADLO O=C(NC[C@@H](O)C[NH+]1CCOCC1)c1cc(O)cc(=O)[nH]1 ZINC000646649942 409493110 /nfs/dbraw/zinc/49/31/10/409493110.db2.gz CHSFYXDFNLJFCX-SNVBAGLBSA-N 1 2 297.311 -1.084 20 0 CAADLO CN(CCCO)C(=O)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000658566447 409493288 /nfs/dbraw/zinc/49/32/88/409493288.db2.gz KIGACSUDMJPGNL-LBPRGKRZSA-N 1 2 299.371 -1.240 20 0 CAADLO Cn1cnnc1N1CC[NH+](CC(=O)N2CCOCC2)CC1 ZINC000653817777 409494208 /nfs/dbraw/zinc/49/42/08/409494208.db2.gz IBIUMGHCHBBAPV-UHFFFAOYSA-N 1 2 294.359 -1.204 20 0 CAADLO CN(CC[NH+]1CCOCC1)C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC000646796084 409494721 /nfs/dbraw/zinc/49/47/21/409494721.db2.gz KHANFILTZVYIEK-VIFPVBQESA-N 1 2 284.316 -1.625 20 0 CAADLO CCn1cc(CNC(=O)CN2CC[NH2+]CC2=O)nn1 ZINC000659345526 409555056 /nfs/dbraw/zinc/55/50/56/409555056.db2.gz NFNSGGZHAZQSPZ-UHFFFAOYSA-N 1 2 266.305 -1.654 20 0 CAADLO COC[C@H](NC(=O)CN1CC[NH2+]CC1=O)C1CCOCC1 ZINC000659334168 409555133 /nfs/dbraw/zinc/55/51/33/409555133.db2.gz BHFWIQSFUWXIQO-LBPRGKRZSA-N 1 2 299.371 -1.024 20 0 CAADLO O=C(CN1CC[NH2+]CC1=O)N1CC[C@@H]2NC(=O)CC[C@H]2C1 ZINC000659358501 409555235 /nfs/dbraw/zinc/55/52/35/409555235.db2.gz RBEVDRWPXLWNFX-QWRGUYRKSA-N 1 2 294.355 -1.455 20 0 CAADLO C[C@@]12COC[C@H]1CN(C(=O)CN1CC[NH2+]CC1=O)C2 ZINC000659368034 409555274 /nfs/dbraw/zinc/55/52/74/409555274.db2.gz KHYBNEMZKBQHFK-ZWNOBZJWSA-N 1 2 267.329 -1.087 20 0 CAADLO CC[NH+]1CCN(C(=O)C(=O)N2CCNC(=O)C[C@H]2C)CC1 ZINC000659653366 409559845 /nfs/dbraw/zinc/55/98/45/409559845.db2.gz FBOOHBMHBWHUIQ-LLVKDONJSA-N 1 2 296.371 -1.113 20 0 CAADLO CC[NH+]1CCN(C(=O)C(=O)N2CCNC(=O)C[C@@H]2C)CC1 ZINC000659653367 409561365 /nfs/dbraw/zinc/56/13/65/409561365.db2.gz FBOOHBMHBWHUIQ-NSHDSACASA-N 1 2 296.371 -1.113 20 0 CAADLO CN1CC[C@@H](C(=O)N2CC[NH+](CCO)CC2)S1(=O)=O ZINC000648729409 409498197 /nfs/dbraw/zinc/49/81/97/409498197.db2.gz VSVRPAYFRSOJMK-JTQLQIEISA-N 1 2 291.373 -1.843 20 0 CAADLO CC(C)NC(=O)C[N@H+](C)CC(=O)N1CC(C)(C(N)=O)C1 ZINC000648953018 409501281 /nfs/dbraw/zinc/50/12/81/409501281.db2.gz WWCOCPIUNNTTNT-UHFFFAOYSA-N 1 2 284.360 -1.223 20 0 CAADLO CC(C)NC(=O)C[N@@H+](C)CC(=O)N1CC(C)(C(N)=O)C1 ZINC000648953018 409501283 /nfs/dbraw/zinc/50/12/83/409501283.db2.gz WWCOCPIUNNTTNT-UHFFFAOYSA-N 1 2 284.360 -1.223 20 0 CAADLO CCN1CC[C@H]([N@@H+]2CC[C@@H](S(N)(=O)=O)C2)C1=O ZINC000660127394 409502062 /nfs/dbraw/zinc/50/20/62/409502062.db2.gz DDGRYQPWSJDZSB-BDAKNGLRSA-N 1 2 261.347 -1.030 20 0 CAADLO CCN1CC[C@H]([N@H+]2CC[C@@H](S(N)(=O)=O)C2)C1=O ZINC000660127394 409502068 /nfs/dbraw/zinc/50/20/68/409502068.db2.gz DDGRYQPWSJDZSB-BDAKNGLRSA-N 1 2 261.347 -1.030 20 0 CAADLO CCN1CC[C@@H]([N@@H+]2CC[C@H](S(N)(=O)=O)C2)C1=O ZINC000660127395 409502985 /nfs/dbraw/zinc/50/29/85/409502985.db2.gz DDGRYQPWSJDZSB-DTWKUNHWSA-N 1 2 261.347 -1.030 20 0 CAADLO CCN1CC[C@@H]([N@H+]2CC[C@H](S(N)(=O)=O)C2)C1=O ZINC000660127395 409502988 /nfs/dbraw/zinc/50/29/88/409502988.db2.gz DDGRYQPWSJDZSB-DTWKUNHWSA-N 1 2 261.347 -1.030 20 0 CAADLO CCN1CC[C@@H]([N@@H+]2CCN3C(=O)NC(=O)[C@H]3C2)C1=O ZINC000660146562 409502993 /nfs/dbraw/zinc/50/29/93/409502993.db2.gz HJCQZYYXNFJGDV-RKDXNWHRSA-N 1 2 266.301 -1.157 20 0 CAADLO CCN1CC[C@@H]([N@H+]2CCN3C(=O)NC(=O)[C@H]3C2)C1=O ZINC000660146562 409502995 /nfs/dbraw/zinc/50/29/95/409502995.db2.gz HJCQZYYXNFJGDV-RKDXNWHRSA-N 1 2 266.301 -1.157 20 0 CAADLO CCN1CC[C@@H]([N@@H+]2CCN3C(=O)NC(=O)[C@@H]3C2)C1=O ZINC000660146559 409503041 /nfs/dbraw/zinc/50/30/41/409503041.db2.gz HJCQZYYXNFJGDV-BDAKNGLRSA-N 1 2 266.301 -1.157 20 0 CAADLO CCN1CC[C@@H]([N@H+]2CCN3C(=O)NC(=O)[C@@H]3C2)C1=O ZINC000660146559 409503043 /nfs/dbraw/zinc/50/30/43/409503043.db2.gz HJCQZYYXNFJGDV-BDAKNGLRSA-N 1 2 266.301 -1.157 20 0 CAADLO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)CS(C)(=O)=O ZINC000649077234 409503291 /nfs/dbraw/zinc/50/32/91/409503291.db2.gz OPOCRGVDXLJIIU-SECBINFHSA-N 1 2 291.373 -1.391 20 0 CAADLO CCN1CC[C@@H]([N@@H+]2CC[C@@H](S(N)(=O)=O)C2)C1=O ZINC000660127397 409504064 /nfs/dbraw/zinc/50/40/64/409504064.db2.gz DDGRYQPWSJDZSB-RKDXNWHRSA-N 1 2 261.347 -1.030 20 0 CAADLO CCN1CC[C@@H]([N@H+]2CC[C@@H](S(N)(=O)=O)C2)C1=O ZINC000660127397 409504069 /nfs/dbraw/zinc/50/40/69/409504069.db2.gz DDGRYQPWSJDZSB-RKDXNWHRSA-N 1 2 261.347 -1.030 20 0 CAADLO COCC[NH+]1CCN(C(=O)c2nc3n(n2)CCCN3)CC1 ZINC000649283652 409505002 /nfs/dbraw/zinc/50/50/02/409505002.db2.gz WKYGTLPARNZDAW-UHFFFAOYSA-N 1 2 294.359 -1.245 20 0 CAADLO Cc1nn(CC(=O)N[C@H](C)C[NH+]2CCOCC2)c(=O)n1C ZINC000654511470 409510906 /nfs/dbraw/zinc/51/09/06/409510906.db2.gz WMNVZMHJXZDVIL-SNVBAGLBSA-N 1 2 297.359 -1.273 20 0 CAADLO CO[C@@](C)(CO)CNC(=O)NC[C@@H]1CN(C)CC[N@@H+]1C ZINC000654439867 409511474 /nfs/dbraw/zinc/51/14/74/409511474.db2.gz YGHFRMMJMVFYIM-DGCLKSJQSA-N 1 2 288.392 -1.071 20 0 CAADLO CO[C@@](C)(CO)CNC(=O)NC[C@@H]1CN(C)CC[N@H+]1C ZINC000654439867 409511475 /nfs/dbraw/zinc/51/14/75/409511475.db2.gz YGHFRMMJMVFYIM-DGCLKSJQSA-N 1 2 288.392 -1.071 20 0 CAADLO Cc1nn(CC(=O)NCC[NH+]2CCOCC2)c(=O)n1C ZINC000654373487 409511494 /nfs/dbraw/zinc/51/14/94/409511494.db2.gz IWBHRYJRSIUFEV-UHFFFAOYSA-N 1 2 283.332 -1.661 20 0 CAADLO Cc1nn(CC(=O)NCC[N@@H+]2CCO[C@@H](C)C2)c(=O)n1C ZINC000654679417 409512527 /nfs/dbraw/zinc/51/25/27/409512527.db2.gz RQRCFYQLXLPJDJ-JTQLQIEISA-N 1 2 297.359 -1.273 20 0 CAADLO Cc1nn(CC(=O)NCC[N@H+]2CCO[C@@H](C)C2)c(=O)n1C ZINC000654679417 409512529 /nfs/dbraw/zinc/51/25/29/409512529.db2.gz RQRCFYQLXLPJDJ-JTQLQIEISA-N 1 2 297.359 -1.273 20 0 CAADLO CO[C@](C)(CO)CNC(=O)C[N@H+](C)CC(=O)NC(C)C ZINC000655206092 409519212 /nfs/dbraw/zinc/51/92/12/409519212.db2.gz FNPMCJKHGLGBQI-ZDUSSCGKSA-N 1 2 289.376 -1.044 20 0 CAADLO CO[C@](C)(CO)CNC(=O)C[N@@H+](C)CC(=O)NC(C)C ZINC000655206092 409519218 /nfs/dbraw/zinc/51/92/18/409519218.db2.gz FNPMCJKHGLGBQI-ZDUSSCGKSA-N 1 2 289.376 -1.044 20 0 CAADLO CO[C@@](C)(CO)CNC(=O)C[N@H+](C)CC(=O)NC(C)C ZINC000655206091 409519856 /nfs/dbraw/zinc/51/98/56/409519856.db2.gz FNPMCJKHGLGBQI-CYBMUJFWSA-N 1 2 289.376 -1.044 20 0 CAADLO CO[C@@](C)(CO)CNC(=O)C[N@@H+](C)CC(=O)NC(C)C ZINC000655206091 409519859 /nfs/dbraw/zinc/51/98/59/409519859.db2.gz FNPMCJKHGLGBQI-CYBMUJFWSA-N 1 2 289.376 -1.044 20 0 CAADLO CN(C)C(=O)C[NH+]1CCN(c2cc(=O)n(C)cn2)CC1 ZINC000656105605 409529543 /nfs/dbraw/zinc/52/95/43/409529543.db2.gz JLJJMTZKXIXMBH-UHFFFAOYSA-N 1 2 279.344 -1.010 20 0 CAADLO COc1c(C)[nH+]cnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC000656140363 409529683 /nfs/dbraw/zinc/52/96/83/409529683.db2.gz WYBAUPHPYXXAQX-VIFPVBQESA-N 1 2 291.311 -1.059 20 0 CAADLO O=C1NCC[C@@H]1NS(=O)(=O)CCC[NH+]1CCOCC1 ZINC000657030807 409534052 /nfs/dbraw/zinc/53/40/52/409534052.db2.gz SNYUMEFFFYMTKU-JTQLQIEISA-N 1 2 291.373 -1.483 20 0 CAADLO C[C@@H]1C[N@H+](CCO)CCN1S(=O)(=O)NC1CC1 ZINC000657008717 409535336 /nfs/dbraw/zinc/53/53/36/409535336.db2.gz BBFWVTVQNMXFFX-SECBINFHSA-N 1 2 263.363 -1.018 20 0 CAADLO C[C@@H]1C[N@@H+](CCO)CCN1S(=O)(=O)NC1CC1 ZINC000657008717 409535343 /nfs/dbraw/zinc/53/53/43/409535343.db2.gz BBFWVTVQNMXFFX-SECBINFHSA-N 1 2 263.363 -1.018 20 0 CAADLO CC[NH+]1CCN(C(=O)C(=O)N(C)C[C@H](C)O)CC1 ZINC000657450917 409538840 /nfs/dbraw/zinc/53/88/40/409538840.db2.gz GQODFYMMCXWZTH-JTQLQIEISA-N 1 2 257.334 -1.010 20 0 CAADLO CNC(=O)CC(=O)N1CCC[N@@H+](CC(=O)NC)CC1 ZINC001195612822 782012267 /nfs/dbraw/zinc/01/22/67/782012267.db2.gz RLGDCFBWOKXHJS-UHFFFAOYSA-N 1 2 270.333 -1.597 20 0 CAADLO CNC(=O)CC(=O)N1CCC[N@H+](CC(=O)NC)CC1 ZINC001195612822 782012275 /nfs/dbraw/zinc/01/22/75/782012275.db2.gz RLGDCFBWOKXHJS-UHFFFAOYSA-N 1 2 270.333 -1.597 20 0 CAADLO CS(=O)(=O)C1(CNc2nc(N)nc(N)[nH+]2)CC1 ZINC000624176054 409545970 /nfs/dbraw/zinc/54/59/70/409545970.db2.gz BFIQDPRNKUOGAC-UHFFFAOYSA-N 1 2 258.307 -1.892 20 0 CAADLO C[C@@H](CO)N(C)C(=O)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000658579487 409549344 /nfs/dbraw/zinc/54/93/44/409549344.db2.gz MFAVEYWBEZIWBL-RYUDHWBXSA-N 1 2 299.371 -1.241 20 0 CAADLO C[C@@H](O)CN(C)C(=O)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000658515174 409551547 /nfs/dbraw/zinc/55/15/47/409551547.db2.gz RVQUQVVTAXXUSO-NEPJUHHUSA-N 1 2 299.371 -1.241 20 0 CAADLO CCn1nccc1CNC(=O)CN1CC[NH2+]CC1=O ZINC000663001806 409619119 /nfs/dbraw/zinc/61/91/19/409619119.db2.gz YFDZBHOLQYNIDR-UHFFFAOYSA-N 1 2 265.317 -1.049 20 0 CAADLO Cc1c(N2CCNC(=O)C2)nc[nH+]c1N1CCNC(=O)C1 ZINC000663324738 409622082 /nfs/dbraw/zinc/62/20/82/409622082.db2.gz SAGKTEKIWWUVSE-UHFFFAOYSA-N 1 2 290.327 -1.343 20 0 CAADLO CN(C)C(=O)Cn1ccc(NC(=O)[C@@H]2CSC[NH2+]2)n1 ZINC000360205188 409641586 /nfs/dbraw/zinc/64/15/86/409641586.db2.gz RWWCJHWAZPSUSX-QMMMGPOBSA-N 1 2 283.357 -0.428 20 0 CAADLO CN(C)C(=O)C[NH+]1CCN(C(=O)CCn2cncn2)CC1 ZINC000073328339 409627802 /nfs/dbraw/zinc/62/78/02/409627802.db2.gz FPBRQRWGFJNLDZ-UHFFFAOYSA-N 1 2 294.359 -1.099 20 0 CAADLO CN(Cc1c[nH+]c[nH]1)C(=O)NCCN1CCNC(=O)C1 ZINC000664624893 409628491 /nfs/dbraw/zinc/62/84/91/409628491.db2.gz IZLPXKKQOHWVPK-UHFFFAOYSA-N 1 2 280.332 -1.017 20 0 CAADLO CN(Cc1c[nH]c[nH+]1)C(=O)NCCN1CCNC(=O)C1 ZINC000664624893 409628497 /nfs/dbraw/zinc/62/84/97/409628497.db2.gz IZLPXKKQOHWVPK-UHFFFAOYSA-N 1 2 280.332 -1.017 20 0 CAADLO C[C@H]1CN(CC(O)C[N@H+]2CC(=O)N[C@@H](C)C2)CC(=O)N1 ZINC000664777613 409632226 /nfs/dbraw/zinc/63/22/26/409632226.db2.gz GFOLWINGPHAPTK-UWVGGRQHSA-N 1 2 284.360 -2.012 20 0 CAADLO C[C@H]1CN(CC(O)C[N@@H+]2CC(=O)N[C@@H](C)C2)CC(=O)N1 ZINC000664777613 409632235 /nfs/dbraw/zinc/63/22/35/409632235.db2.gz GFOLWINGPHAPTK-UWVGGRQHSA-N 1 2 284.360 -2.012 20 0 CAADLO C[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1ccn(C)n1 ZINC000440286204 409634989 /nfs/dbraw/zinc/63/49/89/409634989.db2.gz WJSJXVVEYPOCCI-SECBINFHSA-N 1 2 265.317 -0.479 20 0 CAADLO C[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1ccn(C)n1 ZINC000440286204 409634997 /nfs/dbraw/zinc/63/49/97/409634997.db2.gz WJSJXVVEYPOCCI-SECBINFHSA-N 1 2 265.317 -0.479 20 0 CAADLO NC(=O)[C@@H]1C[C@@H](O)C[N@@H+]1CCn1nc2ccccn2c1=O ZINC000665039546 409635245 /nfs/dbraw/zinc/63/52/45/409635245.db2.gz OBNGCKMRBWVLSS-ZJUUUORDSA-N 1 2 291.311 -1.584 20 0 CAADLO NC(=O)[C@@H]1C[C@@H](O)C[N@H+]1CCn1nc2ccccn2c1=O ZINC000665039546 409635250 /nfs/dbraw/zinc/63/52/50/409635250.db2.gz OBNGCKMRBWVLSS-ZJUUUORDSA-N 1 2 291.311 -1.584 20 0 CAADLO NC(=O)[C@@H]1C[C@@H](O)C[N@@H+]1CC(=O)N1CCCCC1 ZINC000665037400 409635482 /nfs/dbraw/zinc/63/54/82/409635482.db2.gz KZXJQZPREHSCCY-ZJUUUORDSA-N 1 2 255.318 -1.081 20 0 CAADLO NC(=O)[C@@H]1C[C@@H](O)C[N@H+]1CC(=O)N1CCCCC1 ZINC000665037400 409635486 /nfs/dbraw/zinc/63/54/86/409635486.db2.gz KZXJQZPREHSCCY-ZJUUUORDSA-N 1 2 255.318 -1.081 20 0 CAADLO C[NH+]1CCN(C(=O)C2(n3cnnn3)CCOCC2)CC1 ZINC000665059622 409635776 /nfs/dbraw/zinc/63/57/76/409635776.db2.gz YTRMUGVIHFGCLD-UHFFFAOYSA-N 1 2 280.332 -1.047 20 0 CAADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)C(=O)Nc1ccn(C)n1 ZINC000347913777 409639613 /nfs/dbraw/zinc/63/96/13/409639613.db2.gz GPSSDYBTGIDTTM-SNVBAGLBSA-N 1 2 295.343 -0.805 20 0 CAADLO C[C@@H]1COCC[N@H+]1CCNC(=O)C(=O)Nc1ccn(C)n1 ZINC000347913777 409639621 /nfs/dbraw/zinc/63/96/21/409639621.db2.gz GPSSDYBTGIDTTM-SNVBAGLBSA-N 1 2 295.343 -0.805 20 0 CAADLO COCC(=O)N1CC[NH+](CCN2C(=O)CN(C)C2=O)CC1 ZINC000659843164 409572552 /nfs/dbraw/zinc/57/25/52/409572552.db2.gz MATLCPOESQREIH-UHFFFAOYSA-N 1 2 298.343 -1.329 20 0 CAADLO C[C@@H]1CO[C@H](CO)C[N@@H+]1CCN1C(=O)CN(C)C1=O ZINC000660009420 409573339 /nfs/dbraw/zinc/57/33/39/409573339.db2.gz RWCXEYBZLZNOTD-ZJUUUORDSA-N 1 2 271.317 -1.038 20 0 CAADLO C[C@@H]1CO[C@H](CO)C[N@H+]1CCN1C(=O)CN(C)C1=O ZINC000660009420 409573348 /nfs/dbraw/zinc/57/33/48/409573348.db2.gz RWCXEYBZLZNOTD-ZJUUUORDSA-N 1 2 271.317 -1.038 20 0 CAADLO CN1CC(=O)N(CC[NH+]2CCN(C(=O)CO)CC2)C1=O ZINC000660129932 409577507 /nfs/dbraw/zinc/57/75/07/409577507.db2.gz KAXZUQOOKGAUPM-UHFFFAOYSA-N 1 2 284.316 -1.983 20 0 CAADLO CC(C)NS(=O)(=O)N1CC[NH+](CCOCCO)CC1 ZINC000660488378 409578191 /nfs/dbraw/zinc/57/81/91/409578191.db2.gz SYVBTIDCLMPAIR-UHFFFAOYSA-N 1 2 295.405 -1.144 20 0 CAADLO CCN1CC[C@@H]([NH+]2CCN(C(=O)CO)CC2)C1=O ZINC000660129033 409578582 /nfs/dbraw/zinc/57/85/82/409578582.db2.gz BTZHIOOUJJCRNN-SNVBAGLBSA-N 1 2 255.318 -1.256 20 0 CAADLO CCN1OC[C@@H]([NH+]2CCC(S(N)(=O)=O)CC2)C1=O ZINC000660141463 409578631 /nfs/dbraw/zinc/57/86/31/409578631.db2.gz VGIGRUKRUDANAD-SECBINFHSA-N 1 2 277.346 -1.098 20 0 CAADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)N[C@H]1CCNC1=O ZINC000660347219 409578809 /nfs/dbraw/zinc/57/88/09/409578809.db2.gz ZOGQWSUAQQLMQS-UWVGGRQHSA-N 1 2 270.333 -1.105 20 0 CAADLO C[C@H](NC(N)=O)C(=O)N1CCC[N@@H+]([C@@H](C)C(N)=O)CC1 ZINC001195625680 782012545 /nfs/dbraw/zinc/01/25/45/782012545.db2.gz PYKPCRFUCSUCCA-IUCAKERBSA-N 1 2 285.348 -1.549 20 0 CAADLO C[C@H](NC(N)=O)C(=O)N1CCC[N@H+]([C@@H](C)C(N)=O)CC1 ZINC001195625680 782012555 /nfs/dbraw/zinc/01/25/55/782012555.db2.gz PYKPCRFUCSUCCA-IUCAKERBSA-N 1 2 285.348 -1.549 20 0 CAADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)N[C@H]1CCNC1=O ZINC000660854917 409581755 /nfs/dbraw/zinc/58/17/55/409581755.db2.gz GWWSQKZOYOCZMC-ZJUUUORDSA-N 1 2 270.333 -1.105 20 0 CAADLO C[C@@H]1COCC[N@H+]1CCNC(=O)N[C@H]1CCNC1=O ZINC000660854917 409581762 /nfs/dbraw/zinc/58/17/62/409581762.db2.gz GWWSQKZOYOCZMC-ZJUUUORDSA-N 1 2 270.333 -1.105 20 0 CAADLO CO[C@@H](C[N@@H+]1CCN(CC(N)=O)C(=O)C1)[C@@H]1CCOC1 ZINC000660777045 409581810 /nfs/dbraw/zinc/58/18/10/409581810.db2.gz NURFKNHVOVYHEC-MNOVXSKESA-N 1 2 285.344 -1.333 20 0 CAADLO CO[C@@H](C[N@H+]1CCN(CC(N)=O)C(=O)C1)[C@@H]1CCOC1 ZINC000660777045 409581818 /nfs/dbraw/zinc/58/18/18/409581818.db2.gz NURFKNHVOVYHEC-MNOVXSKESA-N 1 2 285.344 -1.333 20 0 CAADLO O=C(C[N@@H+](CCO)CCOCCO)Nc1cnccn1 ZINC000660777941 409582271 /nfs/dbraw/zinc/58/22/71/409582271.db2.gz AGMUSMMZPPDDMB-UHFFFAOYSA-N 1 2 284.316 -1.282 20 0 CAADLO O=C(C[N@H+](CCO)CCOCCO)Nc1cnccn1 ZINC000660777941 409582278 /nfs/dbraw/zinc/58/22/78/409582278.db2.gz AGMUSMMZPPDDMB-UHFFFAOYSA-N 1 2 284.316 -1.282 20 0 CAADLO CN(C[C@H](O)C1CC1)C(=O)C(=O)N1CC[NH+](C)CC1 ZINC000660803052 409582416 /nfs/dbraw/zinc/58/24/16/409582416.db2.gz BWOWIXNUUVLOTP-NSHDSACASA-N 1 2 269.345 -1.010 20 0 CAADLO COC[C@H](C[N@@H+]1CCN(CC(N)=O)C(=O)C1)OC ZINC000660776878 409583252 /nfs/dbraw/zinc/58/32/52/409583252.db2.gz LEOMQASCMQPULQ-VIFPVBQESA-N 1 2 259.306 -1.723 20 0 CAADLO COC[C@H](C[N@H+]1CCN(CC(N)=O)C(=O)C1)OC ZINC000660776878 409583257 /nfs/dbraw/zinc/58/32/57/409583257.db2.gz LEOMQASCMQPULQ-VIFPVBQESA-N 1 2 259.306 -1.723 20 0 CAADLO C[N@@H+](CC(=O)N1CCNC(=O)C1)C[C@@H]1COCCO1 ZINC000661606740 409586753 /nfs/dbraw/zinc/58/67/53/409586753.db2.gz WOKJNMHWWSRMMN-SNVBAGLBSA-N 1 2 271.317 -1.708 20 0 CAADLO C[N@H+](CC(=O)N1CCNC(=O)C1)C[C@@H]1COCCO1 ZINC000661606740 409586761 /nfs/dbraw/zinc/58/67/61/409586761.db2.gz WOKJNMHWWSRMMN-SNVBAGLBSA-N 1 2 271.317 -1.708 20 0 CAADLO C[NH+]1CCN(C(=O)CC[N@@H+]2CCOC[C@@H]2C(=O)[O-])CC1 ZINC000662208352 409587037 /nfs/dbraw/zinc/58/70/37/409587037.db2.gz PHQQKFYPMKODLM-LLVKDONJSA-N 1 2 285.344 -1.064 20 0 CAADLO C[NH+]1CCN(C(=O)CC[N@H+]2CCOC[C@@H]2C(=O)[O-])CC1 ZINC000662208352 409587044 /nfs/dbraw/zinc/58/70/44/409587044.db2.gz PHQQKFYPMKODLM-LLVKDONJSA-N 1 2 285.344 -1.064 20 0 CAADLO CO[C@@H]1CS(=O)(=O)[C@H]2C[N@@H+]([C@H](C)C(N)=O)C[C@H]21 ZINC000661881520 409587992 /nfs/dbraw/zinc/58/79/92/409587992.db2.gz RWPFECDHUSOXNE-XAVMHZPKSA-N 1 2 262.331 -1.396 20 0 CAADLO CO[C@@H]1CS(=O)(=O)[C@H]2C[N@H+]([C@H](C)C(N)=O)C[C@H]21 ZINC000661881520 409587997 /nfs/dbraw/zinc/58/79/97/409587997.db2.gz RWPFECDHUSOXNE-XAVMHZPKSA-N 1 2 262.331 -1.396 20 0 CAADLO CC(=O)[C@](C)(O)C[NH+]1CCN(S(=O)(=O)N(C)C)CC1 ZINC000661579697 409588046 /nfs/dbraw/zinc/58/80/46/409588046.db2.gz KBGWOOJHWIMYRY-LLVKDONJSA-N 1 2 293.389 -1.250 20 0 CAADLO CC(=O)[C@@](C)(O)C[NH+]1CCN(S(=O)(=O)N(C)C)CC1 ZINC000661579702 409588074 /nfs/dbraw/zinc/58/80/74/409588074.db2.gz KBGWOOJHWIMYRY-NSHDSACASA-N 1 2 293.389 -1.250 20 0 CAADLO CN1CC[N@H+](CC(=O)N2CCNC(=O)C2)CCC1=O ZINC000661815302 409588090 /nfs/dbraw/zinc/58/80/90/409588090.db2.gz WLRDAXUEYNBSQO-UHFFFAOYSA-N 1 2 268.317 -1.891 20 0 CAADLO CN1CC[N@@H+](CC(=O)N2CCNC(=O)C2)CCC1=O ZINC000661815302 409588096 /nfs/dbraw/zinc/58/80/96/409588096.db2.gz WLRDAXUEYNBSQO-UHFFFAOYSA-N 1 2 268.317 -1.891 20 0 CAADLO O=C1C[N@H+](C[C@@H](O)COC[C@H]2CCCO2)CCN1 ZINC000072112821 409598307 /nfs/dbraw/zinc/59/83/07/409598307.db2.gz YSYTUPWPHBCAKA-GHMZBOCLSA-N 1 2 258.318 -1.025 20 0 CAADLO O=C1C[N@@H+](C[C@@H](O)COC[C@H]2CCCO2)CCN1 ZINC000072112821 409598319 /nfs/dbraw/zinc/59/83/19/409598319.db2.gz YSYTUPWPHBCAKA-GHMZBOCLSA-N 1 2 258.318 -1.025 20 0 CAADLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)CN1CCNCC1=O ZINC000662632050 409602737 /nfs/dbraw/zinc/60/27/37/409602737.db2.gz WZCBQJYOVYHQJM-NEPJUHHUSA-N 1 2 298.387 -1.356 20 0 CAADLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)CN1CCNCC1=O ZINC000662632050 409602743 /nfs/dbraw/zinc/60/27/43/409602743.db2.gz WZCBQJYOVYHQJM-NEPJUHHUSA-N 1 2 298.387 -1.356 20 0 CAADLO C[C@@H]1CO[C@@H](C)CN1CCNC(=O)CN1CC[NH2+]CC1=O ZINC000662632050 409602751 /nfs/dbraw/zinc/60/27/51/409602751.db2.gz WZCBQJYOVYHQJM-NEPJUHHUSA-N 1 2 298.387 -1.356 20 0 CAADLO CC(=O)N[C@@H]1CCN(C(=O)CN2CC[NH2+]CC2=O)C1 ZINC000662853111 409611204 /nfs/dbraw/zinc/61/12/04/409611204.db2.gz LFHPKZWXCBBBLI-SNVBAGLBSA-N 1 2 268.317 -1.845 20 0 CAADLO COCC1(NC(=O)CN2CC[NH2+]CC2=O)CCOCC1 ZINC000662974329 409614983 /nfs/dbraw/zinc/61/49/83/409614983.db2.gz IIIPMKKFHPNMOH-UHFFFAOYSA-N 1 2 285.344 -1.270 20 0 CAADLO Cc1nc(N(C)C)nc(NCCS(N)(=O)=O)[nH+]1 ZINC000488413220 409712195 /nfs/dbraw/zinc/71/21/95/409712195.db2.gz PMOGNVVPPXZTDM-UHFFFAOYSA-N 1 2 260.323 -1.054 20 0 CAADLO Cc1nc(NCCS(N)(=O)=O)nc(N(C)C)[nH+]1 ZINC000488413220 409712199 /nfs/dbraw/zinc/71/21/99/409712199.db2.gz PMOGNVVPPXZTDM-UHFFFAOYSA-N 1 2 260.323 -1.054 20 0 CAADLO COC[C@H](CO)Nc1nc2c(cnn2C)c(N)[nH+]1 ZINC000357785473 409694603 /nfs/dbraw/zinc/69/46/03/409694603.db2.gz RUERTXKQPFJVOP-LURJTMIESA-N 1 2 252.278 -0.635 20 0 CAADLO COC[C@@H](CO)Nc1nc2c(cnn2C)c(N)[nH+]1 ZINC000357785480 409694717 /nfs/dbraw/zinc/69/47/17/409694717.db2.gz RUERTXKQPFJVOP-ZCFIWIBFSA-N 1 2 252.278 -0.635 20 0 CAADLO Cc1cc(NC(=O)[C@H](C)N2CC[NH2+]CC2=O)nn1C ZINC000638354478 409694901 /nfs/dbraw/zinc/69/49/01/409694901.db2.gz NUOIAOUCODLPSX-VIFPVBQESA-N 1 2 265.317 -0.513 20 0 CAADLO COC[C@@H](C)n1ccc(NC(=O)CN2CC[NH2+]CC2=O)n1 ZINC000580072134 409696212 /nfs/dbraw/zinc/69/62/12/409696212.db2.gz OJQNFRBQBISTFS-SNVBAGLBSA-N 1 2 295.343 -0.539 20 0 CAADLO COc1c(N)[nH+]cnc1NCCCCS(N)(=O)=O ZINC000386593312 409699204 /nfs/dbraw/zinc/69/92/04/409699204.db2.gz DZSOZJHNUFKKLD-UHFFFAOYSA-N 1 2 275.334 -0.452 20 0 CAADLO COc1c(N)nc[nH+]c1NCCCCS(N)(=O)=O ZINC000386593312 409699211 /nfs/dbraw/zinc/69/92/11/409699211.db2.gz DZSOZJHNUFKKLD-UHFFFAOYSA-N 1 2 275.334 -0.452 20 0 CAADLO Cc1nc(N(C)C)nc(N[C@@H]2CC(=O)N(C)C2=O)[nH+]1 ZINC000356114607 409712571 /nfs/dbraw/zinc/71/25/71/409712571.db2.gz SMMWYJQPDWBWTN-SSDOTTSWSA-N 1 2 264.289 -0.585 20 0 CAADLO Cc1nc(N[C@@H]2CC(=O)N(C)C2=O)nc(N(C)C)[nH+]1 ZINC000356114607 409712576 /nfs/dbraw/zinc/71/25/76/409712576.db2.gz SMMWYJQPDWBWTN-SSDOTTSWSA-N 1 2 264.289 -0.585 20 0 CAADLO c1cn2nnnc2c(NC[C@H]2C[NH+]3CCN2CC3)n1 ZINC000532618051 409703440 /nfs/dbraw/zinc/70/34/40/409703440.db2.gz HJOSKVKVEANKCJ-VIFPVBQESA-N 1 2 260.305 -1.069 20 0 CAADLO COc1c(N)[nH+]cnc1NC[C@@H](C)S(N)(=O)=O ZINC000398463104 409703866 /nfs/dbraw/zinc/70/38/66/409703866.db2.gz JQFUNVOFFSZQQK-RXMQYKEDSA-N 1 2 261.307 -0.844 20 0 CAADLO COc1c(N)nc[nH+]c1NC[C@@H](C)S(N)(=O)=O ZINC000398463104 409703872 /nfs/dbraw/zinc/70/38/72/409703872.db2.gz JQFUNVOFFSZQQK-RXMQYKEDSA-N 1 2 261.307 -0.844 20 0 CAADLO COc1c(N)[nH+]cnc1NC[C@@]1(O)CCS(=O)(=O)C1 ZINC000577963804 409704460 /nfs/dbraw/zinc/70/44/60/409704460.db2.gz OPOQDYGFOZVITL-JTQLQIEISA-N 1 2 288.329 -0.971 20 0 CAADLO COc1c(N)nc[nH+]c1NC[C@@]1(O)CCS(=O)(=O)C1 ZINC000577963804 409704471 /nfs/dbraw/zinc/70/44/71/409704471.db2.gz OPOQDYGFOZVITL-JTQLQIEISA-N 1 2 288.329 -0.971 20 0 CAADLO Cc1nc(NCCN2CCNC(=O)C2)nc(N(C)C)[nH+]1 ZINC000358118188 409708733 /nfs/dbraw/zinc/70/87/33/409708733.db2.gz JNMKVLVFVXBAIQ-UHFFFAOYSA-N 1 2 279.348 -0.910 20 0 CAADLO Cc1cn(C)nc1NC(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000638432575 409709172 /nfs/dbraw/zinc/70/91/72/409709172.db2.gz LLRPDNVCEFBQOT-VIFPVBQESA-N 1 2 265.317 -0.513 20 0 CAADLO Cn1ccnc(N[C@@H](CO)C[NH+]2CCOCC2)c1=O ZINC000631306372 409642805 /nfs/dbraw/zinc/64/28/05/409642805.db2.gz FINNZWGMZZYBSQ-SNVBAGLBSA-N 1 2 268.317 -1.115 20 0 CAADLO C[C@@]1(CO)C[C@H](O)C[N@@H+]1CC(=O)Nc1ccon1 ZINC000639852540 409647859 /nfs/dbraw/zinc/64/78/59/409647859.db2.gz BDTXGPPCWQFTSL-KWQFWETISA-N 1 2 255.274 -0.569 20 0 CAADLO C[C@@]1(CO)C[C@H](O)C[N@H+]1CC(=O)Nc1ccon1 ZINC000639852540 409647867 /nfs/dbraw/zinc/64/78/67/409647867.db2.gz BDTXGPPCWQFTSL-KWQFWETISA-N 1 2 255.274 -0.569 20 0 CAADLO C[N@@H+]1CCO[C@@H](CNc2cc(C(N)=O)ncn2)C1 ZINC000641322587 409649492 /nfs/dbraw/zinc/64/94/92/409649492.db2.gz VQDGOHGWYVKXTD-QMMMGPOBSA-N 1 2 251.290 -0.682 20 0 CAADLO C[N@H+]1CCO[C@@H](CNc2cc(C(N)=O)ncn2)C1 ZINC000641322587 409649498 /nfs/dbraw/zinc/64/94/98/409649498.db2.gz VQDGOHGWYVKXTD-QMMMGPOBSA-N 1 2 251.290 -0.682 20 0 CAADLO CN1CC[N@H+](C)[C@@H](CNc2cc(C(N)=O)ncn2)C1 ZINC000641369733 409649979 /nfs/dbraw/zinc/64/99/79/409649979.db2.gz IMSHDMFRNNIUPW-VIFPVBQESA-N 1 2 264.333 -0.767 20 0 CAADLO CN1CC[N@@H+](C)[C@@H](CNc2cc(C(N)=O)ncn2)C1 ZINC000641369733 409649986 /nfs/dbraw/zinc/64/99/86/409649986.db2.gz IMSHDMFRNNIUPW-VIFPVBQESA-N 1 2 264.333 -0.767 20 0 CAADLO C[N@@H+]1CCO[C@@H](CNc2ccc(S(N)(=O)=O)cn2)C1 ZINC000429212124 409650756 /nfs/dbraw/zinc/65/07/56/409650756.db2.gz NIDCONDAAKCKRH-VIFPVBQESA-N 1 2 286.357 -0.529 20 0 CAADLO C[N@H+]1CCO[C@@H](CNc2ccc(S(N)(=O)=O)cn2)C1 ZINC000429212124 409650769 /nfs/dbraw/zinc/65/07/69/409650769.db2.gz NIDCONDAAKCKRH-VIFPVBQESA-N 1 2 286.357 -0.529 20 0 CAADLO C[C@H](O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000345526919 409650798 /nfs/dbraw/zinc/65/07/98/409650798.db2.gz TZJZHLHUMJFTKJ-JTQLQIEISA-N 1 2 268.317 -0.465 20 0 CAADLO C[N@@H+]1CCOC[C@@H]1CNc1ccc(C(=O)NCCO)nn1 ZINC000624620319 409651925 /nfs/dbraw/zinc/65/19/25/409651925.db2.gz ANVSDYPRHOCGMV-JTQLQIEISA-N 1 2 295.343 -1.059 20 0 CAADLO C[N@H+]1CCOC[C@@H]1CNc1ccc(C(=O)NCCO)nn1 ZINC000624620319 409651932 /nfs/dbraw/zinc/65/19/32/409651932.db2.gz ANVSDYPRHOCGMV-JTQLQIEISA-N 1 2 295.343 -1.059 20 0 CAADLO CN(CC[NH+]1CCOCC1)C(=O)N[C@H]1CCNC1=O ZINC000665339046 409657219 /nfs/dbraw/zinc/65/72/19/409657219.db2.gz VDPFSKQHPQWYJY-JTQLQIEISA-N 1 2 270.333 -1.152 20 0 CAADLO Cc1nc(N(C)C)nc(NCC(=O)N2CCOCC2)[nH+]1 ZINC000345098887 409710921 /nfs/dbraw/zinc/71/09/21/409710921.db2.gz DZONOHIDCVTEFR-UHFFFAOYSA-N 1 2 280.332 -0.483 20 0 CAADLO Cc1nc(NCC(=O)N2CCOCC2)nc(N(C)C)[nH+]1 ZINC000345098887 409710930 /nfs/dbraw/zinc/71/09/30/409710930.db2.gz DZONOHIDCVTEFR-UHFFFAOYSA-N 1 2 280.332 -0.483 20 0 CAADLO CNC(=O)c1c(C)[nH]nc1NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000337149757 409661891 /nfs/dbraw/zinc/66/18/91/409661891.db2.gz KLYUMWIZJCREHO-QMMMGPOBSA-N 1 2 281.316 -0.653 20 0 CAADLO CNC(=O)c1c(C)[nH]nc1NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000337149757 409661900 /nfs/dbraw/zinc/66/19/00/409661900.db2.gz KLYUMWIZJCREHO-QMMMGPOBSA-N 1 2 281.316 -0.653 20 0 CAADLO CNC(=O)c1c(C)[nH]nc1NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000337149756 409663372 /nfs/dbraw/zinc/66/33/72/409663372.db2.gz KLYUMWIZJCREHO-MRVPVSSYSA-N 1 2 281.316 -0.653 20 0 CAADLO CNC(=O)c1c(C)[nH]nc1NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000337149756 409663379 /nfs/dbraw/zinc/66/33/79/409663379.db2.gz KLYUMWIZJCREHO-MRVPVSSYSA-N 1 2 281.316 -0.653 20 0 CAADLO NS(=O)(=O)c1ccc(NCC[NH+]2CCOCC2)nc1 ZINC000343791106 409668851 /nfs/dbraw/zinc/66/88/51/409668851.db2.gz BMXSVSPDRZRRHO-UHFFFAOYSA-N 1 2 286.357 -0.527 20 0 CAADLO O=C(CN1CC[NH2+]CC1=O)NCCNc1cnccn1 ZINC000645734067 409671960 /nfs/dbraw/zinc/67/19/60/409671960.db2.gz HTHYHFQIJMMTEZ-UHFFFAOYSA-N 1 2 278.316 -1.564 20 0 CAADLO Cc1nnc(CC(=O)N2CC[NH+](CC(=O)N(C)C)CC2)[nH]1 ZINC000665423986 409672421 /nfs/dbraw/zinc/67/24/21/409672421.db2.gz ABEKNHZYFKICLC-UHFFFAOYSA-N 1 2 294.359 -1.112 20 0 CAADLO CC(C)c1nc(N(C)C)nc(N[C@H](CO)C(N)=O)[nH+]1 ZINC000343261059 409672709 /nfs/dbraw/zinc/67/27/09/409672709.db2.gz DBAYSOATBSIMDQ-SSDOTTSWSA-N 1 2 268.321 -0.681 20 0 CAADLO CC(C)c1nc(N[C@H](CO)C(N)=O)nc(N(C)C)[nH+]1 ZINC000343261059 409672714 /nfs/dbraw/zinc/67/27/14/409672714.db2.gz DBAYSOATBSIMDQ-SSDOTTSWSA-N 1 2 268.321 -0.681 20 0 CAADLO Cc1cc(NC(=O)C(=O)N2CC[NH+](C[C@H](C)O)CC2)no1 ZINC000427039533 409675117 /nfs/dbraw/zinc/67/51/17/409675117.db2.gz YXMRQAGNMOXDJR-VIFPVBQESA-N 1 2 296.327 -0.553 20 0 CAADLO Cc1conc1NC(=O)C(=O)N1CC[NH+](C[C@@H](C)O)CC1 ZINC000445165854 409711553 /nfs/dbraw/zinc/71/15/53/409711553.db2.gz OEHMAXJNRHVJHV-SNVBAGLBSA-N 1 2 296.327 -0.553 20 0 CAADLO Cc1nc(NC(=O)C(=O)N2CC[N@@H+](C)C[C@@H]2C)nn1C ZINC000340319604 409711619 /nfs/dbraw/zinc/71/16/19/409711619.db2.gz WWUKKGOLRZSJNS-QMMMGPOBSA-N 1 2 280.332 -0.775 20 0 CAADLO Cc1nc(NC(=O)C(=O)N2CC[N@H+](C)C[C@@H]2C)nn1C ZINC000340319604 409711626 /nfs/dbraw/zinc/71/16/26/409711626.db2.gz WWUKKGOLRZSJNS-QMMMGPOBSA-N 1 2 280.332 -0.775 20 0 CAADLO CC(C)n1cnc(NC(=O)C(=O)N2CC[NH+](C)CC2)n1 ZINC000651510791 409676469 /nfs/dbraw/zinc/67/64/69/409676469.db2.gz BEGZJZDPGUFJGX-UHFFFAOYSA-N 1 2 280.332 -0.429 20 0 CAADLO O=C(NCCO)c1ccc(NCC[NH+]2CCOCC2)nn1 ZINC000447649747 409682972 /nfs/dbraw/zinc/68/29/72/409682972.db2.gz KDCKHZHRPOTXKX-UHFFFAOYSA-N 1 2 295.343 -1.057 20 0 CAADLO COC(=O)c1cncnc1NCCC[N@@H+]1CCNC(=O)C1 ZINC000557640524 409685486 /nfs/dbraw/zinc/68/54/86/409685486.db2.gz YVFYDQIFKIAAJJ-UHFFFAOYSA-N 1 2 293.327 -0.503 20 0 CAADLO COC(=O)c1cncnc1NCCC[N@H+]1CCNC(=O)C1 ZINC000557640524 409685493 /nfs/dbraw/zinc/68/54/93/409685493.db2.gz YVFYDQIFKIAAJJ-UHFFFAOYSA-N 1 2 293.327 -0.503 20 0 CAADLO Cc1cc(NC(=O)CN2CC[NH2+]CC2=O)nn1C ZINC000569573161 409686028 /nfs/dbraw/zinc/68/60/28/409686028.db2.gz NBIMLSNLTANDFI-UHFFFAOYSA-N 1 2 251.290 -0.901 20 0 CAADLO COCC[C@@H](Nc1nc(N(C)C)nc(C)[nH+]1)C(N)=O ZINC000342793095 409690082 /nfs/dbraw/zinc/69/00/82/409690082.db2.gz XXVQYEDHSYNCLD-MRVPVSSYSA-N 1 2 268.321 -0.452 20 0 CAADLO COCC[C@@H](Nc1nc(C)[nH+]c(N(C)C)n1)C(N)=O ZINC000342793095 409690087 /nfs/dbraw/zinc/69/00/87/409690087.db2.gz XXVQYEDHSYNCLD-MRVPVSSYSA-N 1 2 268.321 -0.452 20 0 CAADLO C[C@@H](CNc1nc2c(cnn2C)c(N)[nH+]1)S(N)(=O)=O ZINC000436420622 409721944 /nfs/dbraw/zinc/72/19/44/409721944.db2.gz MOUCHWRKWDWEMG-YFKPBYRVSA-N 1 2 285.333 -0.966 20 0 CAADLO COC(=O)[C@@H]1OCC[C@@H]1[NH2+]Cc1nc(N)nc(N(C)C)n1 ZINC000595665444 409724074 /nfs/dbraw/zinc/72/40/74/409724074.db2.gz XAOBGZTZQRQUAS-IONNQARKSA-N 1 2 296.331 -1.060 20 0 CAADLO CC[N@@H+]1CCOC[C@@H]1C(=O)NCCc1nc(N)n[nH]1 ZINC000615020381 409732430 /nfs/dbraw/zinc/73/24/30/409732430.db2.gz GEKBIKRZGSQQRW-MRVPVSSYSA-N 1 2 268.321 -1.234 20 0 CAADLO CC[N@H+]1CCOC[C@@H]1C(=O)NCCc1nc(N)n[nH]1 ZINC000615020381 409732443 /nfs/dbraw/zinc/73/24/43/409732443.db2.gz GEKBIKRZGSQQRW-MRVPVSSYSA-N 1 2 268.321 -1.234 20 0 CAADLO C[N@H+](Cc1nccc(N)n1)[C@@H]1CCN(C(=O)CO)C1 ZINC000331231999 409736935 /nfs/dbraw/zinc/73/69/35/409736935.db2.gz ILHIELBTWUDPTB-SECBINFHSA-N 1 2 265.317 -0.916 20 0 CAADLO C[N@@H+](Cc1nccc(N)n1)[C@@H]1CCN(C(=O)CO)C1 ZINC000331231999 409736948 /nfs/dbraw/zinc/73/69/48/409736948.db2.gz ILHIELBTWUDPTB-SECBINFHSA-N 1 2 265.317 -0.916 20 0 CAADLO C[N@H+](Cc1nccc(N)n1)[C@H]1CCN(C(=O)CO)C1 ZINC000331232000 409737729 /nfs/dbraw/zinc/73/77/29/409737729.db2.gz ILHIELBTWUDPTB-VIFPVBQESA-N 1 2 265.317 -0.916 20 0 CAADLO C[N@@H+](Cc1nccc(N)n1)[C@H]1CCN(C(=O)CO)C1 ZINC000331232000 409737737 /nfs/dbraw/zinc/73/77/37/409737737.db2.gz ILHIELBTWUDPTB-VIFPVBQESA-N 1 2 265.317 -0.916 20 0 CAADLO CNS(=O)(=O)CC[N@@H+]1CCc2cnc(N)nc2C1 ZINC000623291538 409738779 /nfs/dbraw/zinc/73/87/79/409738779.db2.gz NPMIHDSNEHBKRA-UHFFFAOYSA-N 1 2 271.346 -1.034 20 0 CAADLO CNS(=O)(=O)CC[N@H+]1CCc2cnc(N)nc2C1 ZINC000623291538 409738788 /nfs/dbraw/zinc/73/87/88/409738788.db2.gz NPMIHDSNEHBKRA-UHFFFAOYSA-N 1 2 271.346 -1.034 20 0 CAADLO CN(C)C(=O)Cn1ccc(=[NH+]c2nc(N)nc(N)n2)[nH]1 ZINC000623992548 409740179 /nfs/dbraw/zinc/74/01/79/409740179.db2.gz RFZGLBDLCKYMCK-UHFFFAOYSA-N 1 2 277.292 -1.683 20 0 CAADLO COC(=O)CCNC(=O)C[N@@H+]1CCc2cnc(N)nc2C1 ZINC000598951218 409742192 /nfs/dbraw/zinc/74/21/92/409742192.db2.gz YULFAUBTUSMGHB-UHFFFAOYSA-N 1 2 293.327 -0.904 20 0 CAADLO COC(=O)CCNC(=O)C[N@H+]1CCc2cnc(N)nc2C1 ZINC000598951218 409742199 /nfs/dbraw/zinc/74/21/99/409742199.db2.gz YULFAUBTUSMGHB-UHFFFAOYSA-N 1 2 293.327 -0.904 20 0 CAADLO Nc1nc(=NC[C@H](O)C[NH+]2CCOCC2)nc2[nH][nH]cc1-2 ZINC000354520818 409745907 /nfs/dbraw/zinc/74/59/07/409745907.db2.gz FFWPKWVKIJOCAP-QMMMGPOBSA-N 1 2 293.331 -1.586 20 0 CAADLO Nc1ncc2c(n1)C[N@@H+](CC(=O)N1CCNC1=O)CC2 ZINC000623295969 409746752 /nfs/dbraw/zinc/74/67/52/409746752.db2.gz YSYUCTSTTBIHOW-UHFFFAOYSA-N 1 2 276.300 -1.031 20 0 CAADLO Nc1ncc2c(n1)C[N@H+](CC(=O)N1CCNC1=O)CC2 ZINC000623295969 409746760 /nfs/dbraw/zinc/74/67/60/409746760.db2.gz YSYUCTSTTBIHOW-UHFFFAOYSA-N 1 2 276.300 -1.031 20 0 CAADLO Cc1nc(N)c(CNC(=O)CN2CCN(C)C(=O)C2)c[nH+]1 ZINC000572245892 409751165 /nfs/dbraw/zinc/75/11/65/409751165.db2.gz GRYNVPJWSWRFJJ-UHFFFAOYSA-N 1 2 292.343 -1.243 20 0 CAADLO Nc1nsc(N2CC[NH+]([C@@H]3COC[C@H]3O)CC2)n1 ZINC000361328048 409751334 /nfs/dbraw/zinc/75/13/34/409751334.db2.gz GMRUSEICVSXXFG-HTQZYQBOSA-N 1 2 271.346 -0.998 20 0 CAADLO C[C@@H]1CN(C(=O)C(=O)Nc2ccn(C)n2)CC[N@@H+]1CCO ZINC000427433826 409719211 /nfs/dbraw/zinc/71/92/11/409719211.db2.gz DNBNIUAWSZOXRW-SNVBAGLBSA-N 1 2 295.343 -1.116 20 0 CAADLO C[C@@H]1CN(C(=O)C(=O)Nc2ccn(C)n2)CC[N@H+]1CCO ZINC000427433826 409719218 /nfs/dbraw/zinc/71/92/18/409719218.db2.gz DNBNIUAWSZOXRW-SNVBAGLBSA-N 1 2 295.343 -1.116 20 0 CAADLO Cc1onc(NC(=O)C(=O)N2CC[NH+](CCO)CC2)c1C ZINC000340157053 409720005 /nfs/dbraw/zinc/72/00/05/409720005.db2.gz CZRQPPNQGKXKQH-UHFFFAOYSA-N 1 2 296.327 -0.634 20 0 CAADLO CNC(=O)NCCC(=O)N1CCC[N@@H+]([C@H](C)C(N)=O)CC1 ZINC001195726885 782013833 /nfs/dbraw/zinc/01/38/33/782013833.db2.gz FGHLAWDZQKWMOH-SNVBAGLBSA-N 1 2 299.375 -1.286 20 0 CAADLO CNC(=O)NCCC(=O)N1CCC[N@H+]([C@H](C)C(N)=O)CC1 ZINC001195726885 782013842 /nfs/dbraw/zinc/01/38/42/782013842.db2.gz FGHLAWDZQKWMOH-SNVBAGLBSA-N 1 2 299.375 -1.286 20 0 CAADLO NC(=O)C(=O)N[C@@H]1C[N@H+](CCNC(=O)C2CC2)C[C@H]1O ZINC001195717913 782014771 /nfs/dbraw/zinc/01/47/71/782014771.db2.gz MUIFFRRUEIZTGK-RKDXNWHRSA-N 1 2 284.316 -2.841 20 0 CAADLO NC(=O)C(=O)N[C@@H]1C[N@@H+](CCNC(=O)C2CC2)C[C@H]1O ZINC001195717913 782014784 /nfs/dbraw/zinc/01/47/84/782014784.db2.gz MUIFFRRUEIZTGK-RKDXNWHRSA-N 1 2 284.316 -2.841 20 0 CAADLO CNC(=O)NCCC(=O)N1CCC[N@H+](CC(N)=O)CC1 ZINC001195736381 782014926 /nfs/dbraw/zinc/01/49/26/782014926.db2.gz LJMZWEWOYBMSBG-UHFFFAOYSA-N 1 2 285.348 -1.675 20 0 CAADLO CNC(=O)NCCC(=O)N1CCC[N@@H+](CC(N)=O)CC1 ZINC001195736381 782014933 /nfs/dbraw/zinc/01/49/33/782014933.db2.gz LJMZWEWOYBMSBG-UHFFFAOYSA-N 1 2 285.348 -1.675 20 0 CAADLO CCCC[C@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(N)=O)C1 ZINC001195718373 782015159 /nfs/dbraw/zinc/01/51/59/782015159.db2.gz WADICMYQJNYFAK-IWSPIJDZSA-N 1 2 286.332 -2.323 20 0 CAADLO CCCC[C@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)C(N)=O)C1 ZINC001195718373 782015167 /nfs/dbraw/zinc/01/51/67/782015167.db2.gz WADICMYQJNYFAK-IWSPIJDZSA-N 1 2 286.332 -2.323 20 0 CAADLO CNC(=O)NCCC(=O)N1CCC[N@@H+]([C@@H](C)C(N)=O)CC1 ZINC001195726884 782014534 /nfs/dbraw/zinc/01/45/34/782014534.db2.gz FGHLAWDZQKWMOH-JTQLQIEISA-N 1 2 299.375 -1.286 20 0 CAADLO CNC(=O)NCCC(=O)N1CCC[N@H+]([C@@H](C)C(N)=O)CC1 ZINC001195726884 782014541 /nfs/dbraw/zinc/01/45/41/782014541.db2.gz FGHLAWDZQKWMOH-JTQLQIEISA-N 1 2 299.375 -1.286 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2(C(N)=O)CC2)C1 ZINC001195783988 782017137 /nfs/dbraw/zinc/01/71/37/782017137.db2.gz ZNFDTWKLFFRLFT-IWSPIJDZSA-N 1 2 298.343 -2.452 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)C2(C(N)=O)CC2)C1 ZINC001195783988 782017148 /nfs/dbraw/zinc/01/71/48/782017148.db2.gz ZNFDTWKLFFRLFT-IWSPIJDZSA-N 1 2 298.343 -2.452 20 0 CAADLO NC(=O)C1(C(=O)N[C@@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@H]2O)CC1 ZINC001195783238 782017288 /nfs/dbraw/zinc/01/72/88/782017288.db2.gz FHFVFGRMUNQXGD-IWSPIJDZSA-N 1 2 296.327 -2.698 20 0 CAADLO NC(=O)C1(C(=O)N[C@@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]2O)CC1 ZINC001195783238 782017297 /nfs/dbraw/zinc/01/72/97/782017297.db2.gz FHFVFGRMUNQXGD-IWSPIJDZSA-N 1 2 296.327 -2.698 20 0 CAADLO CC[C@@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2(C(N)=O)CC2)C1 ZINC001195789501 782017513 /nfs/dbraw/zinc/01/75/13/782017513.db2.gz IACUPXZWIVOWRD-HRDYMLBCSA-N 1 2 298.343 -2.323 20 0 CAADLO CC[C@@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)C2(C(N)=O)CC2)C1 ZINC001195789501 782017520 /nfs/dbraw/zinc/01/75/20/782017520.db2.gz IACUPXZWIVOWRD-HRDYMLBCSA-N 1 2 298.343 -2.323 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CCCN(C(=O)C[C@H](C)NC(N)=O)CC1 ZINC001195853852 782018639 /nfs/dbraw/zinc/01/86/39/782018639.db2.gz OZIKBMPPHHGPEH-VHSXEESVSA-N 1 2 299.375 -1.159 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CCCN(C(=O)C[C@H](C)NC(N)=O)CC1 ZINC001195853852 782018644 /nfs/dbraw/zinc/01/86/44/782018644.db2.gz OZIKBMPPHHGPEH-VHSXEESVSA-N 1 2 299.375 -1.159 20 0 CAADLO CNC(=O)C[N@@H+]1CCCN(C(=O)C[C@@H](C)NC(N)=O)CC1 ZINC001195833072 782019829 /nfs/dbraw/zinc/01/98/29/782019829.db2.gz YBTNBWOHIRGAEK-SNVBAGLBSA-N 1 2 299.375 -1.286 20 0 CAADLO CNC(=O)C[N@H+]1CCCN(C(=O)C[C@@H](C)NC(N)=O)CC1 ZINC001195833072 782019835 /nfs/dbraw/zinc/01/98/35/782019835.db2.gz YBTNBWOHIRGAEK-SNVBAGLBSA-N 1 2 299.375 -1.286 20 0 CAADLO C[C@H](CC(=O)N1CCC[N@H+](CC(N)=O)CC1)NC(N)=O ZINC001195854071 782019886 /nfs/dbraw/zinc/01/98/86/782019886.db2.gz URBRGTKQSGGOKP-SECBINFHSA-N 1 2 285.348 -1.547 20 0 CAADLO C[C@H](CC(=O)N1CCC[N@@H+](CC(N)=O)CC1)NC(N)=O ZINC001195854071 782019893 /nfs/dbraw/zinc/01/98/93/782019893.db2.gz URBRGTKQSGGOKP-SECBINFHSA-N 1 2 285.348 -1.547 20 0 CAADLO CC(C)[C@H](NC(N)=O)C(=O)N1CC[NH+](CCO)CC1 ZINC000035187850 172042566 /nfs/dbraw/zinc/04/25/66/172042566.db2.gz UROPCNLFAOMAQR-JTQLQIEISA-N 1 2 272.349 -1.184 20 0 CAADLO NC(=O)N1CCC[C@H](C(=O)N2CC[NH+](CCO)CC2)C1 ZINC000035187920 172042580 /nfs/dbraw/zinc/04/25/80/172042580.db2.gz KYOSEHDBVVSRSZ-NSHDSACASA-N 1 2 284.360 -1.086 20 0 CAADLO O=C(c1ccc(=O)[nH]n1)N1CC[NH+](CCO)CC1 ZINC000035187855 172042712 /nfs/dbraw/zinc/04/27/12/172042712.db2.gz ASKPEMKPNBPUKV-UHFFFAOYSA-N 1 2 252.274 -1.068 20 0 CAADLO C[C@H](C(=O)N1CC[NH+](CCO)CC1)n1cncn1 ZINC000035200280 172045069 /nfs/dbraw/zinc/04/50/69/172045069.db2.gz NTXAUBKZMBPXSW-SNVBAGLBSA-N 1 2 253.306 -1.024 20 0 CAADLO CN1C[C@@H](C(=O)N2CC[NH+](CCO)CC2)CC1=O ZINC000035205927 172050152 /nfs/dbraw/zinc/05/01/52/172050152.db2.gz STMSVMNUOSSNLV-JTQLQIEISA-N 1 2 255.318 -1.399 20 0 CAADLO CCC(=O)N[C@H](C)C(=O)N1CCC[N@H+](CC(N)=O)CC1 ZINC001195926118 782020802 /nfs/dbraw/zinc/02/08/02/782020802.db2.gz KXZDDDZSOKTAEV-SNVBAGLBSA-N 1 2 284.360 -1.079 20 0 CAADLO CCC(=O)N[C@H](C)C(=O)N1CCC[N@@H+](CC(N)=O)CC1 ZINC001195926118 782020810 /nfs/dbraw/zinc/02/08/10/782020810.db2.gz KXZDDDZSOKTAEV-SNVBAGLBSA-N 1 2 284.360 -1.079 20 0 CAADLO CCC(=O)N[C@@H](C)C(=O)N1CCC[N@H+](CC(N)=O)CC1 ZINC001195926117 782021695 /nfs/dbraw/zinc/02/16/95/782021695.db2.gz KXZDDDZSOKTAEV-JTQLQIEISA-N 1 2 284.360 -1.079 20 0 CAADLO CCC(=O)N[C@@H](C)C(=O)N1CCC[N@@H+](CC(N)=O)CC1 ZINC001195926117 782021698 /nfs/dbraw/zinc/02/16/98/782021698.db2.gz KXZDDDZSOKTAEV-JTQLQIEISA-N 1 2 284.360 -1.079 20 0 CAADLO Cn1cc(C(=O)NCCC[N@@H+]2CCNC(=O)C2)ccc1=O ZINC000344735404 225145496 /nfs/dbraw/zinc/14/54/96/225145496.db2.gz NGXZKAYUDUYPBN-UHFFFAOYSA-N 1 2 292.339 -1.063 20 0 CAADLO Cn1cc(C(=O)NCCC[N@H+]2CCNC(=O)C2)ccc1=O ZINC000344735404 225145501 /nfs/dbraw/zinc/14/55/01/225145501.db2.gz NGXZKAYUDUYPBN-UHFFFAOYSA-N 1 2 292.339 -1.063 20 0 CAADLO C[C@H](C(=O)NCCC[N@@H+]1CCNC(=O)C1)n1cncn1 ZINC000344655245 225135045 /nfs/dbraw/zinc/13/50/45/225135045.db2.gz KJGBNEXZTLUVMC-SNVBAGLBSA-N 1 2 280.332 -1.223 20 0 CAADLO C[C@H](C(=O)NCCC[N@H+]1CCNC(=O)C1)n1cncn1 ZINC000344655245 225135048 /nfs/dbraw/zinc/13/50/48/225135048.db2.gz KJGBNEXZTLUVMC-SNVBAGLBSA-N 1 2 280.332 -1.223 20 0 CAADLO C[C@@H](C(=O)NCCC[N@@H+]1CCNC(=O)C1)n1cncn1 ZINC000344655244 225135111 /nfs/dbraw/zinc/13/51/11/225135111.db2.gz KJGBNEXZTLUVMC-JTQLQIEISA-N 1 2 280.332 -1.223 20 0 CAADLO C[C@@H](C(=O)NCCC[N@H+]1CCNC(=O)C1)n1cncn1 ZINC000344655244 225135114 /nfs/dbraw/zinc/13/51/14/225135114.db2.gz KJGBNEXZTLUVMC-JTQLQIEISA-N 1 2 280.332 -1.223 20 0 CAADLO C[C@H](NC(=O)C[N@H+](C)[C@@H]1CCN(C)C1=O)C(=O)N(C)C ZINC000352662352 299048291 /nfs/dbraw/zinc/04/82/91/299048291.db2.gz YNJSYUNGPWTRFM-VHSXEESVSA-N 1 2 284.360 -1.258 20 0 CAADLO C[C@H](NC(=O)C[N@@H+](C)[C@@H]1CCN(C)C1=O)C(=O)N(C)C ZINC000352662352 299048294 /nfs/dbraw/zinc/04/82/94/299048294.db2.gz YNJSYUNGPWTRFM-VHSXEESVSA-N 1 2 284.360 -1.258 20 0 CAADLO COC[C@@](C)(NC[C@H](O)C[NH+]1CCOCC1)C(=O)OC ZINC000347550425 226189856 /nfs/dbraw/zinc/18/98/56/226189856.db2.gz PQLQGJAAZHHRFV-WCQYABFASA-N 1 2 290.360 -1.153 20 0 CAADLO COCCC(=O)NCC(=O)NCC[NH+]1CCOCC1 ZINC000347888263 226383541 /nfs/dbraw/zinc/38/35/41/226383541.db2.gz KCGIWSZBANHWEX-UHFFFAOYSA-N 1 2 273.333 -1.413 20 0 CAADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)C(=O)NCC1(C)COC1 ZINC000347984158 226398204 /nfs/dbraw/zinc/39/82/04/226398204.db2.gz WOJWDFWXBLTCQU-LLVKDONJSA-N 1 2 299.371 -1.024 20 0 CAADLO C[C@@H]1COCC[N@H+]1CCNC(=O)C(=O)NCC1(C)COC1 ZINC000347984158 226398206 /nfs/dbraw/zinc/39/82/06/226398206.db2.gz WOJWDFWXBLTCQU-LLVKDONJSA-N 1 2 299.371 -1.024 20 0 CAADLO CCn1nccc1NC(=O)C(=O)N1CC[NH+](CCO)CC1 ZINC000349094157 226545335 /nfs/dbraw/zinc/54/53/35/226545335.db2.gz LTLIWOQUKUIWSH-UHFFFAOYSA-N 1 2 295.343 -1.022 20 0 CAADLO O=C(CN1CC[NH2+]CC1=O)NCc1noc(C2CC2)n1 ZINC000575178500 335076084 /nfs/dbraw/zinc/07/60/84/335076084.db2.gz CYGARVCJVCVIPH-UHFFFAOYSA-N 1 2 279.300 -1.005 20 0 CAADLO C[C@@H](C(=O)NCCCS(N)(=O)=O)[NH+]1CCOCC1 ZINC000354706787 227079218 /nfs/dbraw/zinc/07/92/18/227079218.db2.gz YWKVSQGIRDTPST-VIFPVBQESA-N 1 2 279.362 -1.498 20 0 CAADLO COCCOCC[N@@H+]1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000352775090 227210723 /nfs/dbraw/zinc/21/07/23/227210723.db2.gz XNLMMEBOSOKUDH-VIFPVBQESA-N 1 2 257.290 -1.115 20 0 CAADLO COCCOCC[N@H+]1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000352775090 227210726 /nfs/dbraw/zinc/21/07/26/227210726.db2.gz XNLMMEBOSOKUDH-VIFPVBQESA-N 1 2 257.290 -1.115 20 0 CAADLO CNC(=O)NCC(=O)N1CCC[N@@H+]([C@H](C)C(N)=O)CC1 ZINC001196065777 782023915 /nfs/dbraw/zinc/02/39/15/782023915.db2.gz AIZKRRPKUNIEGR-SECBINFHSA-N 1 2 285.348 -1.677 20 0 CAADLO CNC(=O)NCC(=O)N1CCC[N@H+]([C@H](C)C(N)=O)CC1 ZINC001196065777 782023918 /nfs/dbraw/zinc/02/39/18/782023918.db2.gz AIZKRRPKUNIEGR-SECBINFHSA-N 1 2 285.348 -1.677 20 0 CAADLO COCC[N@H+](CCO)CC(=O)N1CCNC(=O)C1 ZINC000355944569 228060655 /nfs/dbraw/zinc/06/06/55/228060655.db2.gz NUHWSZVGWAMTJW-UHFFFAOYSA-N 1 2 259.306 -2.115 20 0 CAADLO COCC[N@@H+](CCO)CC(=O)N1CCNC(=O)C1 ZINC000355944569 228060657 /nfs/dbraw/zinc/06/06/57/228060657.db2.gz NUHWSZVGWAMTJW-UHFFFAOYSA-N 1 2 259.306 -2.115 20 0 CAADLO C[C@@H]1CN(S(=O)(=O)C2COC2)CC[N@@H+]1CCO ZINC000330203833 228064944 /nfs/dbraw/zinc/06/49/44/228064944.db2.gz BDYNIXQWSDWARW-SECBINFHSA-N 1 2 264.347 -1.287 20 0 CAADLO C[C@@H]1CN(S(=O)(=O)C2COC2)CC[N@H+]1CCO ZINC000330203833 228064946 /nfs/dbraw/zinc/06/49/46/228064946.db2.gz BDYNIXQWSDWARW-SECBINFHSA-N 1 2 264.347 -1.287 20 0 CAADLO C[C@H]1CN(S(=O)(=O)C2COC2)CC[N@@H+]1CCO ZINC000330203834 228065182 /nfs/dbraw/zinc/06/51/82/228065182.db2.gz BDYNIXQWSDWARW-VIFPVBQESA-N 1 2 264.347 -1.287 20 0 CAADLO C[C@H]1CN(S(=O)(=O)C2COC2)CC[N@H+]1CCO ZINC000330203834 228065184 /nfs/dbraw/zinc/06/51/84/228065184.db2.gz BDYNIXQWSDWARW-VIFPVBQESA-N 1 2 264.347 -1.287 20 0 CAADLO CN(C)C(=O)C1(C(=O)N[C@@H](CO)C[NH+]2CCOCC2)CC1 ZINC000331914527 228138086 /nfs/dbraw/zinc/13/80/86/228138086.db2.gz UMPAZZVOWRLARX-LLVKDONJSA-N 1 2 299.371 -1.336 20 0 CAADLO Cn1cc(C[NH+]2CC(O)(C(F)F)C2)c(=O)n(C)c1=O ZINC000332030732 228144290 /nfs/dbraw/zinc/14/42/90/228144290.db2.gz YWCPGUYTZGEJEL-UHFFFAOYSA-N 1 2 275.255 -1.104 20 0 CAADLO O=C(NC[C@H]1COCCO1)C(=O)N1CCn2cc[nH+]c2C1 ZINC000332144187 228150197 /nfs/dbraw/zinc/15/01/97/228150197.db2.gz LDEJMYZADCXAHU-JTQLQIEISA-N 1 2 294.311 -1.243 20 0 CAADLO Cc1noc(CCC[N@@H+]2CCN3C(=O)C(=O)NC[C@H]3C2)n1 ZINC000332156051 228150413 /nfs/dbraw/zinc/15/04/13/228150413.db2.gz UHNCGJSBWDXUPA-JTQLQIEISA-N 1 2 293.327 -1.047 20 0 CAADLO Cc1noc(CCC[N@H+]2CCN3C(=O)C(=O)NC[C@H]3C2)n1 ZINC000332156051 228150415 /nfs/dbraw/zinc/15/04/15/228150415.db2.gz UHNCGJSBWDXUPA-JTQLQIEISA-N 1 2 293.327 -1.047 20 0 CAADLO CN(C)C(=O)CC[NH+]1CCN(S(=O)(=O)N(C)C)CC1 ZINC000353843064 228158092 /nfs/dbraw/zinc/15/80/92/228158092.db2.gz IMXALERROATHHD-UHFFFAOYSA-N 1 2 292.405 -1.111 20 0 CAADLO COCC(=O)NC1CN(C(=O)[C@H](C)[NH+]2CCN(C)CC2)C1 ZINC000332482433 228160363 /nfs/dbraw/zinc/16/03/63/228160363.db2.gz VPENRTQXMWKZKY-NSHDSACASA-N 1 2 298.387 -1.404 20 0 CAADLO C[C@@H](C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1)n1cncn1 ZINC000332549121 228163238 /nfs/dbraw/zinc/16/32/38/228163238.db2.gz FFULORDTUCQOKQ-NWDGAFQWSA-N 1 2 297.359 -1.009 20 0 CAADLO C[C@H]1COCC[N@@H+]1CCNC(=O)CN1CCN(C)C(=O)C1 ZINC000333026555 228187899 /nfs/dbraw/zinc/18/78/99/228187899.db2.gz GMZGKSNHWIIFRM-LBPRGKRZSA-N 1 2 298.387 -1.403 20 0 CAADLO C[C@H]1COCC[N@H+]1CCNC(=O)CN1CCN(C)C(=O)C1 ZINC000333026555 228187900 /nfs/dbraw/zinc/18/79/00/228187900.db2.gz GMZGKSNHWIIFRM-LBPRGKRZSA-N 1 2 298.387 -1.403 20 0 CAADLO C[C@H](C[NH+]1CCOCC1)N(C)CC(=O)N1CCNC(=O)C1 ZINC000333153461 228191216 /nfs/dbraw/zinc/19/12/16/228191216.db2.gz MBCOUMSXPDNJBD-GFCCVEGCSA-N 1 2 298.387 -1.403 20 0 CAADLO CNC(=O)NCC(=O)N1CCC[N@H+](CC(N)=O)CC1 ZINC001196065836 782025352 /nfs/dbraw/zinc/02/53/52/782025352.db2.gz GDNXXJVZFJXIKD-UHFFFAOYSA-N 1 2 271.321 -2.065 20 0 CAADLO CNC(=O)NCC(=O)N1CCC[N@@H+](CC(N)=O)CC1 ZINC001196065836 782025356 /nfs/dbraw/zinc/02/53/56/782025356.db2.gz GDNXXJVZFJXIKD-UHFFFAOYSA-N 1 2 271.321 -2.065 20 0 CAADLO CCS(=O)(=O)N1CC[NH+](C[C@H](O)COC)CC1 ZINC000171972472 230190545 /nfs/dbraw/zinc/19/05/45/230190545.db2.gz KSFREYMHEVKJRE-JTQLQIEISA-N 1 2 266.363 -1.039 20 0 CAADLO NC(=O)[C@@H]1C[C@@H](O)C[N@@H+]1CCCS(N)(=O)=O ZINC001196114211 782027483 /nfs/dbraw/zinc/02/74/83/782027483.db2.gz MFAGKOBJQBYWPX-RQJHMYQMSA-N 1 2 251.308 -2.415 20 0 CAADLO NC(=O)[C@@H]1C[C@@H](O)C[N@H+]1CCCS(N)(=O)=O ZINC001196114211 782027488 /nfs/dbraw/zinc/02/74/88/782027488.db2.gz MFAGKOBJQBYWPX-RQJHMYQMSA-N 1 2 251.308 -2.415 20 0 CAADLO COCCS(=O)(=O)N1CC[NH+](CCO)CC1 ZINC000042809839 230156130 /nfs/dbraw/zinc/15/61/30/230156130.db2.gz UCMNFPBAPPQRDO-UHFFFAOYSA-N 1 2 252.336 -1.428 20 0 CAADLO Cc1nn(C)cc1C[N@@H+]1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC000091865845 230166830 /nfs/dbraw/zinc/16/68/30/230166830.db2.gz SLEXHJRNZNETFC-NSHDSACASA-N 1 2 277.328 -1.129 20 0 CAADLO Cc1nn(C)cc1C[N@H+]1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC000091865845 230166839 /nfs/dbraw/zinc/16/68/39/230166839.db2.gz SLEXHJRNZNETFC-NSHDSACASA-N 1 2 277.328 -1.129 20 0 CAADLO O=C(N[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@H]1O)C1(CF)CC1 ZINC001196106461 782026977 /nfs/dbraw/zinc/02/69/77/782026977.db2.gz HNRUPGVSRKCVRW-KXUCPTDWSA-N 1 2 285.319 -1.214 20 0 CAADLO O=C(N[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@H]1O)C1(CF)CC1 ZINC001196106461 782026985 /nfs/dbraw/zinc/02/69/85/782026985.db2.gz HNRUPGVSRKCVRW-KXUCPTDWSA-N 1 2 285.319 -1.214 20 0 CAADLO CCn1c(N)c(C(=O)C[N@H+](C)[C@@H](C)CO)c(=O)[nH]c1=O ZINC000132160833 230175392 /nfs/dbraw/zinc/17/53/92/230175392.db2.gz GYPFQPGLDKWVSX-ZETCQYMHSA-N 1 2 284.316 -1.366 20 0 CAADLO CCn1c(N)c(C(=O)C[N@@H+](C)[C@@H](C)CO)c(=O)[nH]c1=O ZINC000132160833 230175397 /nfs/dbraw/zinc/17/53/97/230175397.db2.gz GYPFQPGLDKWVSX-ZETCQYMHSA-N 1 2 284.316 -1.366 20 0 CAADLO CN(C)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2(CF)CC2)C1 ZINC001196106656 782027049 /nfs/dbraw/zinc/02/70/49/782027049.db2.gz QPBJVZUYOWBIMG-NXEZZACHSA-N 1 2 287.335 -1.014 20 0 CAADLO CN(C)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C2(CF)CC2)C1 ZINC001196106656 782027056 /nfs/dbraw/zinc/02/70/56/782027056.db2.gz QPBJVZUYOWBIMG-NXEZZACHSA-N 1 2 287.335 -1.014 20 0 CAADLO O=C(CNC(=O)CN1CC[NH2+]CC1=O)NCC(F)(F)F ZINC000152269448 230180312 /nfs/dbraw/zinc/18/03/12/230180312.db2.gz LZLKVRGKLODISS-UHFFFAOYSA-N 1 2 296.249 -1.787 20 0 CAADLO C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@H+](C)CCO ZINC000153119140 230182170 /nfs/dbraw/zinc/18/21/70/230182170.db2.gz VTNFBYDOGBLBDY-SSDOTTSWSA-N 1 2 284.316 -1.839 20 0 CAADLO C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@@H+](C)CCO ZINC000153119140 230182176 /nfs/dbraw/zinc/18/21/76/230182176.db2.gz VTNFBYDOGBLBDY-SSDOTTSWSA-N 1 2 284.316 -1.839 20 0 CAADLO Cc1[nH]n(C)c2nnc(NC(=O)CN3CC[NH2+]CC3=O)c1-2 ZINC000158650828 230183551 /nfs/dbraw/zinc/18/35/51/230183551.db2.gz NFHYQYZLDAVZBB-UHFFFAOYSA-N 1 2 291.315 -1.025 20 0 CAADLO C[C@H]1CO[C@H](CO)C[N@@H+]1Cc1cc(=O)n(C)c(=O)n1C ZINC000167825204 230185708 /nfs/dbraw/zinc/18/57/08/230185708.db2.gz NGWLAGRRRQBAAV-ONGXEEELSA-N 1 2 283.328 -1.334 20 0 CAADLO C[C@H]1CO[C@H](CO)C[N@H+]1Cc1cc(=O)n(C)c(=O)n1C ZINC000167825204 230185716 /nfs/dbraw/zinc/18/57/16/230185716.db2.gz NGWLAGRRRQBAAV-ONGXEEELSA-N 1 2 283.328 -1.334 20 0 CAADLO O=C(CN1CC[NH2+]CC1=O)N1CC[C@H](N2CCOCC2)C1 ZINC000165525461 230186765 /nfs/dbraw/zinc/18/67/65/230186765.db2.gz NNNBJWSOLXCLHD-LBPRGKRZSA-N 1 2 296.371 -1.649 20 0 CAADLO C[C@@H](NC(=O)CN1CCNCC1=O)[C@H](C)[NH+]1CCOCC1 ZINC000167696484 230187095 /nfs/dbraw/zinc/18/70/95/230187095.db2.gz ZTBUMDZHPJHEEA-NEPJUHHUSA-N 1 2 298.387 -1.356 20 0 CAADLO C[C@@H](NC(=O)CN1CC[NH2+]CC1=O)[C@H](C)N1CCOCC1 ZINC000167696484 230187102 /nfs/dbraw/zinc/18/71/02/230187102.db2.gz ZTBUMDZHPJHEEA-NEPJUHHUSA-N 1 2 298.387 -1.356 20 0 CAADLO C[C@@]1(C(=O)N2CC[NH+](CCO)CC2)CNC(=O)C1 ZINC000170247274 230187126 /nfs/dbraw/zinc/18/71/26/230187126.db2.gz JXZWMXJKKYTMIG-LBPRGKRZSA-N 1 2 255.318 -1.351 20 0 CAADLO CCn1c(N)c(C(=O)C[N@H+]2CC[C@@H](CO)C2)c(=O)[nH]c1=O ZINC000174704597 230188692 /nfs/dbraw/zinc/18/86/92/230188692.db2.gz YORPMZLFJDGTCI-MRVPVSSYSA-N 1 2 296.327 -1.364 20 0 CAADLO CCn1c(N)c(C(=O)C[N@@H+]2CC[C@H](CO)C2)c(=O)[nH]c1=O ZINC000174704582 230189205 /nfs/dbraw/zinc/18/92/05/230189205.db2.gz YORPMZLFJDGTCI-QMMMGPOBSA-N 1 2 296.327 -1.364 20 0 CAADLO CCn1c(N)c(C(=O)C[N@H+]2CC[C@H](CO)C2)c(=O)[nH]c1=O ZINC000174704582 230189210 /nfs/dbraw/zinc/18/92/10/230189210.db2.gz YORPMZLFJDGTCI-QMMMGPOBSA-N 1 2 296.327 -1.364 20 0 CAADLO Cn1c(N)c(C(=O)C[N@@H+]2CC[C@@H](CO)C2)c(=O)n(C)c1=O ZINC000174709824 230189767 /nfs/dbraw/zinc/18/97/67/230189767.db2.gz KBQJVDZGOHJRIU-MRVPVSSYSA-N 1 2 296.327 -1.837 20 0 CAADLO Cn1c(N)c(C(=O)C[N@H+]2CC[C@@H](CO)C2)c(=O)n(C)c1=O ZINC000174709824 230189770 /nfs/dbraw/zinc/18/97/70/230189770.db2.gz KBQJVDZGOHJRIU-MRVPVSSYSA-N 1 2 296.327 -1.837 20 0 CAADLO CCn1c(N)c(C(=O)C[N@@H+]2CC[C@@](C)(O)C2)c(=O)[nH]c1=O ZINC000178005802 230191960 /nfs/dbraw/zinc/19/19/60/230191960.db2.gz RGVFKASGOMQTBP-CYBMUJFWSA-N 1 2 296.327 -1.222 20 0 CAADLO CCn1c(N)c(C(=O)C[N@H+]2CC[C@@](C)(O)C2)c(=O)[nH]c1=O ZINC000178005802 230191967 /nfs/dbraw/zinc/19/19/67/230191967.db2.gz RGVFKASGOMQTBP-CYBMUJFWSA-N 1 2 296.327 -1.222 20 0 CAADLO O=C(CCc1nnc[nH]1)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000178727188 230194700 /nfs/dbraw/zinc/19/47/00/230194700.db2.gz JXHZDRMPPVQLHI-SNVBAGLBSA-N 1 2 264.333 -1.147 20 0 CAADLO COCCCS(=O)(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000179053703 230195010 /nfs/dbraw/zinc/19/50/10/230195010.db2.gz AGMXQOQHYIEXRB-NSHDSACASA-N 1 2 277.390 -1.058 20 0 CAADLO COC[C@H](C)S(=O)(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000179056589 230196413 /nfs/dbraw/zinc/19/64/13/230196413.db2.gz LAQJMEJHPGDAAG-QWRGUYRKSA-N 1 2 277.390 -1.060 20 0 CAADLO Cn1cc(C(N)=O)cc1C(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000178784605 230196539 /nfs/dbraw/zinc/19/65/39/230196539.db2.gz VHMIRFBZIMOWPW-LLVKDONJSA-N 1 2 291.355 -1.146 20 0 CAADLO O=C1CN(CC(O)C[N@@H+]2CCNC(=O)C2)CCN1 ZINC000181769341 230197594 /nfs/dbraw/zinc/19/75/94/230197594.db2.gz UDXZPQZKAIELPY-UHFFFAOYSA-N 1 2 256.306 -2.789 20 0 CAADLO O=C1CN(CC(O)C[N@H+]2CCNC(=O)C2)CCN1 ZINC000181769341 230197599 /nfs/dbraw/zinc/19/75/99/230197599.db2.gz UDXZPQZKAIELPY-UHFFFAOYSA-N 1 2 256.306 -2.789 20 0 CAADLO Cn1cnn(CC(=O)NCC[N@@H+]2CCOCC2(C)C)c1=O ZINC000181509597 230197740 /nfs/dbraw/zinc/19/77/40/230197740.db2.gz IEOSISOTDUFBQQ-UHFFFAOYSA-N 1 2 297.359 -1.191 20 0 CAADLO Cn1cnn(CC(=O)NCC[N@H+]2CCOCC2(C)C)c1=O ZINC000181509597 230197747 /nfs/dbraw/zinc/19/77/47/230197747.db2.gz IEOSISOTDUFBQQ-UHFFFAOYSA-N 1 2 297.359 -1.191 20 0 CAADLO C[C@@H]1C(=O)N(C)CC[N@H+]1CCN1C(=O)CNC1=O ZINC000186969850 230203827 /nfs/dbraw/zinc/20/38/27/230203827.db2.gz SONQYKHSLQHUTN-MRVPVSSYSA-N 1 2 254.290 -1.299 20 0 CAADLO C[C@@H]1C(=O)N(C)CC[N@@H+]1CCN1C(=O)CNC1=O ZINC000186969850 230203833 /nfs/dbraw/zinc/20/38/33/230203833.db2.gz SONQYKHSLQHUTN-MRVPVSSYSA-N 1 2 254.290 -1.299 20 0 CAADLO C[C@@H]1CO[C@H](CO)C[N@@H+]1CC(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000221209036 230210164 /nfs/dbraw/zinc/21/01/64/230210164.db2.gz NTNCGLBHAIJGBI-UTUOFQBUSA-N 1 2 299.371 -1.208 20 0 CAADLO C[C@@H]1CO[C@H](CO)C[N@H+]1CC(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000221209036 230210170 /nfs/dbraw/zinc/21/01/70/230210170.db2.gz NTNCGLBHAIJGBI-UTUOFQBUSA-N 1 2 299.371 -1.208 20 0 CAADLO O=C(C[NH+]1C[C@H](O)[C@@H](O)C1)NC(=O)NCc1ccco1 ZINC000236579474 230215091 /nfs/dbraw/zinc/21/50/91/230215091.db2.gz POFGPOIMTLWGJS-UWVGGRQHSA-N 1 2 283.284 -1.357 20 0 CAADLO C[C@@H]1[C@H](CO)CCN1C(=O)C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000358136033 230242203 /nfs/dbraw/zinc/24/22/03/230242203.db2.gz CVFSOXVENFNCCB-WOPDTQHZSA-N 1 2 299.371 -1.338 20 0 CAADLO C[C@@H]1[C@H](CO)CCN1C(=O)C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000358136033 230242208 /nfs/dbraw/zinc/24/22/08/230242208.db2.gz CVFSOXVENFNCCB-WOPDTQHZSA-N 1 2 299.371 -1.338 20 0 CAADLO C[C@H]1COCCN(C(=O)C(=O)NC[C@@H]2C[N@H+](C)CCO2)C1 ZINC000358164752 230242879 /nfs/dbraw/zinc/24/28/79/230242879.db2.gz JABRGGGIAYDSDT-VXGBXAGGSA-N 1 2 299.371 -1.072 20 0 CAADLO C[C@H]1COCCN(C(=O)C(=O)NC[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000358164752 230242881 /nfs/dbraw/zinc/24/28/81/230242881.db2.gz JABRGGGIAYDSDT-VXGBXAGGSA-N 1 2 299.371 -1.072 20 0 CAADLO C[C@@H]1[C@H](CO)CCN1C(=O)C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000358136030 230243245 /nfs/dbraw/zinc/24/32/45/230243245.db2.gz CVFSOXVENFNCCB-GRYCIOLGSA-N 1 2 299.371 -1.338 20 0 CAADLO C[C@@H]1[C@H](CO)CCN1C(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000358136030 230243250 /nfs/dbraw/zinc/24/32/50/230243250.db2.gz CVFSOXVENFNCCB-GRYCIOLGSA-N 1 2 299.371 -1.338 20 0 CAADLO O=C(N[C@@H](CO)C[NH+]1CCOCC1)[C@H]1CCCCC(=O)N1 ZINC000424527330 230281272 /nfs/dbraw/zinc/28/12/72/230281272.db2.gz DXHWMQDMLQTJTL-VXGBXAGGSA-N 1 2 299.371 -1.146 20 0 CAADLO O=C(N[C@@H](CO)C[NH+]1CCOCC1)[C@@H]1CCCC(=O)N1 ZINC000425295068 230286513 /nfs/dbraw/zinc/28/65/13/230286513.db2.gz OKGBZPHEEKSEGJ-MNOVXSKESA-N 1 2 285.344 -1.536 20 0 CAADLO NC(=O)CCCC(=O)N[C@@H](CO)C[NH+]1CCOCC1 ZINC000425283503 230286801 /nfs/dbraw/zinc/28/68/01/230286801.db2.gz CBJDEBKUZMEAAD-SNVBAGLBSA-N 1 2 273.333 -1.549 20 0 CAADLO O=C(N[C@H](CO)C[NH+]1CCOCC1)[C@@H]1CCCC(=O)N1 ZINC000425295070 230286884 /nfs/dbraw/zinc/28/68/84/230286884.db2.gz OKGBZPHEEKSEGJ-QWRGUYRKSA-N 1 2 285.344 -1.536 20 0 CAADLO C[C@@]1(C(=O)NCCC[N@@H+]2CCNC(=O)C2)CCCNC1=O ZINC000427704715 230291915 /nfs/dbraw/zinc/29/19/15/230291915.db2.gz FGQQCLLQCTXZNE-CQSZACIVSA-N 1 2 296.371 -1.159 20 0 CAADLO C[C@@]1(C(=O)NCCC[N@H+]2CCNC(=O)C2)CCCNC1=O ZINC000427704715 230291920 /nfs/dbraw/zinc/29/19/20/230291920.db2.gz FGQQCLLQCTXZNE-CQSZACIVSA-N 1 2 296.371 -1.159 20 0 CAADLO O[C@H](CN1CCc2nn[nH]c2C1)C[NH+]1CCOCC1 ZINC000429322745 230299694 /nfs/dbraw/zinc/29/96/94/230299694.db2.gz OJGNHGWNYMHZED-JTQLQIEISA-N 1 2 267.333 -1.144 20 0 CAADLO O=C(CN1CC[NH2+]CC1=O)NCCC(=O)N1CCOCC1 ZINC000429819745 230301686 /nfs/dbraw/zinc/30/16/86/230301686.db2.gz VMNWDJFTWIFRDK-UHFFFAOYSA-N 1 2 298.343 -2.217 20 0 CAADLO O=C(CN1CC[NH2+]CC1=O)NCCCN1CCCCC1=O ZINC000430114858 230301829 /nfs/dbraw/zinc/30/18/29/230301829.db2.gz FCBRAYFKCOVAJM-UHFFFAOYSA-N 1 2 296.371 -1.063 20 0 CAADLO NC(=O)[C@H](NC(=O)CN1CC[NH2+]CC1=O)c1ccccc1 ZINC000429818947 230302775 /nfs/dbraw/zinc/30/27/75/230302775.db2.gz SEYRYMGOALFMTC-CYBMUJFWSA-N 1 2 290.323 -1.239 20 0 CAADLO COCCCN(CCOC)C(=O)CN1CC[NH2+]CC1=O ZINC000429941991 230303467 /nfs/dbraw/zinc/30/34/67/230303467.db2.gz CBRHGFMSLJNSMC-UHFFFAOYSA-N 1 2 287.360 -1.070 20 0 CAADLO Cn1cc(N2CC[C@H](NC(=O)[C@H]3COCC[NH2+]3)C2=O)cn1 ZINC000430384341 230305556 /nfs/dbraw/zinc/30/55/56/230305556.db2.gz KNRZUUBOPWFDSL-WDEREUQCSA-N 1 2 293.327 -1.370 20 0 CAADLO Cn1cc(N2CC[C@@H](NC(=O)[C@H]3COCC[NH2+]3)C2=O)cn1 ZINC000430384338 230305972 /nfs/dbraw/zinc/30/59/72/230305972.db2.gz KNRZUUBOPWFDSL-GHMZBOCLSA-N 1 2 293.327 -1.370 20 0 CAADLO O=C(CN1CC[NH2+]CC1=O)N1CC(=O)Nc2cnccc21 ZINC000431057239 230312578 /nfs/dbraw/zinc/31/25/78/230312578.db2.gz HEGJGKJZWNHBPW-UHFFFAOYSA-N 1 2 289.295 -1.202 20 0 CAADLO O[C@H]1CN(c2cc(N3CCOCC3)nc[nH+]2)C[C@@H]1O ZINC000433809706 230316517 /nfs/dbraw/zinc/31/65/17/230316517.db2.gz WLGQRBSBMDWIDR-UWVGGRQHSA-N 1 2 266.301 -1.145 20 0 CAADLO C[C@H](C(=O)NC[C@@H]1C[NH+]2CCN1CC2)N1CCOCC1 ZINC000437744535 230321853 /nfs/dbraw/zinc/32/18/53/230321853.db2.gz KIBITZZBOXJWLO-CHWSQXEVSA-N 1 2 282.388 -1.177 20 0 CAADLO Cn1nccc1CC(=O)NCCC[N@@H+]1CCNC(=O)C1 ZINC000444337796 230337792 /nfs/dbraw/zinc/33/77/92/230337792.db2.gz GVAHYBWCIPUNSY-UHFFFAOYSA-N 1 2 279.344 -1.099 20 0 CAADLO Cn1nccc1CC(=O)NCCC[N@H+]1CCNC(=O)C1 ZINC000444337796 230337797 /nfs/dbraw/zinc/33/77/97/230337797.db2.gz GVAHYBWCIPUNSY-UHFFFAOYSA-N 1 2 279.344 -1.099 20 0 CAADLO CCn1c(N)c(C(=O)C[N@H+]2C[C@@H](O)[C@@H](O)C2)c(=O)[nH]c1=O ZINC000444712964 230338740 /nfs/dbraw/zinc/33/87/40/230338740.db2.gz XNONSLZZPQNQTH-KNVOCYPGSA-N 1 2 298.299 -2.229 20 0 CAADLO CCn1c(N)c(C(=O)C[N@@H+]2C[C@@H](O)[C@@H](O)C2)c(=O)[nH]c1=O ZINC000444712964 230338743 /nfs/dbraw/zinc/33/87/43/230338743.db2.gz XNONSLZZPQNQTH-KNVOCYPGSA-N 1 2 298.299 -2.229 20 0 CAADLO COCCS(=O)(=O)N1CC[N@H+](CCO)C[C@@H]1C ZINC000452100287 230347249 /nfs/dbraw/zinc/34/72/49/230347249.db2.gz DUCMVQFTIMCEMG-JTQLQIEISA-N 1 2 266.363 -1.039 20 0 CAADLO COCCS(=O)(=O)N1CC[N@@H+](CCO)C[C@@H]1C ZINC000452100287 230347254 /nfs/dbraw/zinc/34/72/54/230347254.db2.gz DUCMVQFTIMCEMG-JTQLQIEISA-N 1 2 266.363 -1.039 20 0 CAADLO COCC[NH+]1CCN(C(=O)C(=O)N2CCC[C@@H](O)C2)CC1 ZINC000459816689 230351703 /nfs/dbraw/zinc/35/17/03/230351703.db2.gz PCHXFPMVHDOJKS-GFCCVEGCSA-N 1 2 299.371 -1.240 20 0 CAADLO COCC[NH+]1CCN(C(=O)C(=O)N2CCC[C@@H]2CO)CC1 ZINC000459901856 230351822 /nfs/dbraw/zinc/35/18/22/230351822.db2.gz VOWYMELMRTXMJI-GFCCVEGCSA-N 1 2 299.371 -1.240 20 0 CAADLO NS(=O)(=O)N1CCN(C(=O)C=Cc2c[nH]c[nH+]2)CC1 ZINC000493323513 230363072 /nfs/dbraw/zinc/36/30/72/230363072.db2.gz OWLOFLULBXZLCR-UPHRSURJSA-N 1 2 285.329 -1.229 20 0 CAADLO O=C(CN1CC[NH2+]CC1=O)N1CC[C@@H]2NC(=O)OC[C@H]2C1 ZINC000496329527 230364580 /nfs/dbraw/zinc/36/45/80/230364580.db2.gz RJRUUAMIKQJDKY-ZJUUUORDSA-N 1 2 296.327 -1.625 20 0 CAADLO C[C@H]1OC(=O)N[C@@H]1C(=O)N1CC[NH+](CCO)CC1 ZINC000496461508 230364905 /nfs/dbraw/zinc/36/49/05/230364905.db2.gz OCTXKZNWGXRGCG-BDAKNGLRSA-N 1 2 257.290 -1.380 20 0 CAADLO CO[C@H](C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCc2cnn[nH]2)C1 ZINC001196291185 782031114 /nfs/dbraw/zinc/03/11/14/782031114.db2.gz QCWQDZKZDHMJGI-YUSALJHKSA-N 1 2 297.359 -1.067 20 0 CAADLO CO[C@H](C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCc2cnn[nH]2)C1 ZINC001196291185 782031125 /nfs/dbraw/zinc/03/11/25/782031125.db2.gz QCWQDZKZDHMJGI-YUSALJHKSA-N 1 2 297.359 -1.067 20 0 CAADLO COCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCc2cnn[nH]2)C1 ZINC001196290343 782031685 /nfs/dbraw/zinc/03/16/85/782031685.db2.gz JYBXPWMLYWBDRH-GHMZBOCLSA-N 1 2 283.332 -1.455 20 0 CAADLO COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCc2cnn[nH]2)C1 ZINC001196290343 782031690 /nfs/dbraw/zinc/03/16/90/782031690.db2.gz JYBXPWMLYWBDRH-GHMZBOCLSA-N 1 2 283.332 -1.455 20 0 CAADLO CNC(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(N)=O ZINC001110478955 782031868 /nfs/dbraw/zinc/03/18/68/782031868.db2.gz RQYBRARSGYOQFI-HLTSFMKQSA-N 1 2 268.317 -1.671 20 0 CAADLO CNC(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(N)=O ZINC001110478955 782031874 /nfs/dbraw/zinc/03/18/74/782031874.db2.gz RQYBRARSGYOQFI-HLTSFMKQSA-N 1 2 268.317 -1.671 20 0 CAADLO CN1CC[N@H+](CCCOC(=O)NC(N)=O)[C@@H](CO)C1 ZINC001196263131 782031914 /nfs/dbraw/zinc/03/19/14/782031914.db2.gz NMHBZSSNHATGSA-SECBINFHSA-N 1 2 274.321 -1.210 20 0 CAADLO CN1CC[N@@H+](CCCOC(=O)NC(N)=O)[C@@H](CO)C1 ZINC001196263131 782031920 /nfs/dbraw/zinc/03/19/20/782031920.db2.gz NMHBZSSNHATGSA-SECBINFHSA-N 1 2 274.321 -1.210 20 0 CAADLO COC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCc2cnn[nH]2)C1 ZINC001196320137 782031980 /nfs/dbraw/zinc/03/19/80/782031980.db2.gz HVJXRMVXQKGTLK-YUSALJHKSA-N 1 2 297.359 -1.067 20 0 CAADLO COC[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCc2cnn[nH]2)C1 ZINC001196320137 782031985 /nfs/dbraw/zinc/03/19/85/782031985.db2.gz HVJXRMVXQKGTLK-YUSALJHKSA-N 1 2 297.359 -1.067 20 0 CAADLO O=C(CCc1cnn[nH]1)N[C@@H]1C[N@H+](CCCO)C[C@H]1O ZINC001196320565 782032900 /nfs/dbraw/zinc/03/29/00/782032900.db2.gz LFZKMIBJZKBEBO-GHMZBOCLSA-N 1 2 283.332 -1.719 20 0 CAADLO O=C(CCc1cnn[nH]1)N[C@@H]1C[N@@H+](CCCO)C[C@H]1O ZINC001196320565 782032907 /nfs/dbraw/zinc/03/29/07/782032907.db2.gz LFZKMIBJZKBEBO-GHMZBOCLSA-N 1 2 283.332 -1.719 20 0 CAADLO CO[C@@H](C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCc2cnn[nH]2)C1 ZINC001196291184 782033258 /nfs/dbraw/zinc/03/32/58/782033258.db2.gz QCWQDZKZDHMJGI-MVWJERBFSA-N 1 2 297.359 -1.067 20 0 CAADLO CO[C@@H](C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCc2cnn[nH]2)C1 ZINC001196291184 782033268 /nfs/dbraw/zinc/03/32/68/782033268.db2.gz QCWQDZKZDHMJGI-MVWJERBFSA-N 1 2 297.359 -1.067 20 0 CAADLO C[C@H](Cn1cccn1)NC(=O)CN1CC[NH2+]CC1=O ZINC000518368749 260385863 /nfs/dbraw/zinc/38/58/63/260385863.db2.gz JEFGDKDMLVORSE-SNVBAGLBSA-N 1 2 265.317 -1.180 20 0 CAADLO C[C@@H](CC(=O)N[C@@H]1CN(CC(N)=O)C[C@H]1O)n1cc[nH+]c1 ZINC001196499777 782037308 /nfs/dbraw/zinc/03/73/08/782037308.db2.gz QGGXVGGSELRCKG-HBNTYKKESA-N 1 2 295.343 -1.519 20 0 CAADLO CCC[C@H]1C(=O)NCCN1C(=O)CN1CC[NH2+]CC1=O ZINC000516648895 262052030 /nfs/dbraw/zinc/05/20/30/262052030.db2.gz BSWIBKWWODDOGG-JTQLQIEISA-N 1 2 282.344 -1.455 20 0 CAADLO O[C@@H](CN1CCn2ncnc2C1)C[NH+]1CCOCC1 ZINC001251002476 782038023 /nfs/dbraw/zinc/03/80/23/782038023.db2.gz KIUNHCKXPLKLPX-LLVKDONJSA-N 1 2 267.333 -1.213 20 0 CAADLO CNS(=O)(=O)NCC(=O)N1CCC[N@H+](CCF)CC1 ZINC001196655834 782038046 /nfs/dbraw/zinc/03/80/46/782038046.db2.gz KHOPYUCFDFHZDH-UHFFFAOYSA-N 1 2 296.368 -1.456 20 0 CAADLO CNS(=O)(=O)NCC(=O)N1CCC[N@@H+](CCF)CC1 ZINC001196655834 782038055 /nfs/dbraw/zinc/03/80/55/782038055.db2.gz KHOPYUCFDFHZDH-UHFFFAOYSA-N 1 2 296.368 -1.456 20 0 CAADLO CN(C)C(=O)CC(=O)N[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@H]1O ZINC001196739266 782039462 /nfs/dbraw/zinc/03/94/62/782039462.db2.gz KLZXCGKYVZRCHM-KXUCPTDWSA-N 1 2 298.343 -2.486 20 0 CAADLO CN(C)C(=O)CC(=O)N[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@H]1O ZINC001196739266 782039470 /nfs/dbraw/zinc/03/94/70/782039470.db2.gz KLZXCGKYVZRCHM-KXUCPTDWSA-N 1 2 298.343 -2.486 20 0 CAADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2CCNC2=O)CC1 ZINC001196724432 782039724 /nfs/dbraw/zinc/03/97/24/782039724.db2.gz JRYGNBZVZQNNDL-LLVKDONJSA-N 1 2 296.371 -1.207 20 0 CAADLO CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2CCNC2=O)CC1 ZINC001196724432 782039735 /nfs/dbraw/zinc/03/97/35/782039735.db2.gz JRYGNBZVZQNNDL-LLVKDONJSA-N 1 2 296.371 -1.207 20 0 CAADLO C[C@@H](CC(N)=O)C(=O)N1CCC[N@H+](CC(N)=O)CC1 ZINC001196752046 782039979 /nfs/dbraw/zinc/03/99/79/782039979.db2.gz BVUUADHTGZEHNW-VIFPVBQESA-N 1 2 270.333 -1.483 20 0 CAADLO C[C@@H](CC(N)=O)C(=O)N1CCC[N@@H+](CC(N)=O)CC1 ZINC001196752046 782039986 /nfs/dbraw/zinc/03/99/86/782039986.db2.gz BVUUADHTGZEHNW-VIFPVBQESA-N 1 2 270.333 -1.483 20 0 CAADLO COC(=O)C1(NC[C@H](O)C[NH+]2CCOCC2)CC1 ZINC001251032419 782040129 /nfs/dbraw/zinc/04/01/29/782040129.db2.gz AAXHQXJMDLPNMY-JTQLQIEISA-N 1 2 258.318 -1.025 20 0 CAADLO CN(C)C(=O)CC(=O)N[C@@H]1C[N@H+](CCF)C[C@H]1O ZINC001196739097 782040651 /nfs/dbraw/zinc/04/06/51/782040651.db2.gz JENIJUMQPIFOOU-RKDXNWHRSA-N 1 2 261.297 -1.405 20 0 CAADLO CN(C)C(=O)CC(=O)N[C@@H]1C[N@@H+](CCF)C[C@H]1O ZINC001196739097 782040661 /nfs/dbraw/zinc/04/06/61/782040661.db2.gz JENIJUMQPIFOOU-RKDXNWHRSA-N 1 2 261.297 -1.405 20 0 CAADLO C[C@H]1C[N@H+](Cc2cc(=O)n(C)c(=O)n2C)C[C@@H](CO)O1 ZINC000230013663 269086052 /nfs/dbraw/zinc/08/60/52/269086052.db2.gz YODQUYBKQAISHI-ONGXEEELSA-N 1 2 283.328 -1.334 20 0 CAADLO C[C@H]1C[N@@H+](Cc2cc(=O)n(C)c(=O)n2C)C[C@@H](CO)O1 ZINC000230013663 269086054 /nfs/dbraw/zinc/08/60/54/269086054.db2.gz YODQUYBKQAISHI-ONGXEEELSA-N 1 2 283.328 -1.334 20 0 CAADLO CNC(=O)CNC(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000193121992 269086340 /nfs/dbraw/zinc/08/63/40/269086340.db2.gz HFFDTUWIQBBPCA-SECBINFHSA-N 1 2 258.322 -1.248 20 0 CAADLO O=C(CN1CC[NH2+]CC1=O)N1CC(=O)N[C@H]2CCCC[C@H]21 ZINC000238121393 269086921 /nfs/dbraw/zinc/08/69/21/269086921.db2.gz JCORJLJXJJEOIZ-WDEREUQCSA-N 1 2 294.355 -1.312 20 0 CAADLO CCCNC(=O)CCNC(=O)CN1CC[NH2+]CC1=O ZINC000236840226 269086930 /nfs/dbraw/zinc/08/69/30/269086930.db2.gz LTOJNRIXZGWUMT-UHFFFAOYSA-N 1 2 270.333 -1.549 20 0 CAADLO CN(C)C(=O)[C@@H]1CCCN1C(=O)CN1CC[NH2+]CC1=O ZINC000237016923 269087015 /nfs/dbraw/zinc/08/70/15/269087015.db2.gz RPHQSKYDHMPKMU-JTQLQIEISA-N 1 2 282.344 -1.503 20 0 CAADLO C[C@H](CNC(=O)CN1CC[NH2+]CC1=O)N1CCOCC1 ZINC000237404118 269087182 /nfs/dbraw/zinc/08/71/82/269087182.db2.gz GJCFUHBZMLHSQQ-LLVKDONJSA-N 1 2 284.360 -1.745 20 0 CAADLO CN(C)C(=O)[C@H]1CCCN1C(=O)CN1CC[NH2+]CC1=O ZINC000237027106 269087284 /nfs/dbraw/zinc/08/72/84/269087284.db2.gz RPHQSKYDHMPKMU-SNVBAGLBSA-N 1 2 282.344 -1.503 20 0 CAADLO C[C@@H](CNC(=O)CN1CC[NH2+]CC1=O)C[C@H](C)O ZINC000237548433 269087295 /nfs/dbraw/zinc/08/72/95/269087295.db2.gz HOKMQALQCZLSBF-ZJUUUORDSA-N 1 2 257.334 -1.059 20 0 CAADLO O=C(CN1CC[NH2+]CC1=O)N1CC(=O)N[C@@H]2CCCC[C@H]21 ZINC000238121433 269087330 /nfs/dbraw/zinc/08/73/30/269087330.db2.gz JCORJLJXJJEOIZ-GHMZBOCLSA-N 1 2 294.355 -1.312 20 0 CAADLO CC(C)(C)C(=O)NCCNC(=O)CN1CC[NH2+]CC1=O ZINC000236788122 269087402 /nfs/dbraw/zinc/08/74/02/269087402.db2.gz ZWVGUPIBUPZADY-UHFFFAOYSA-N 1 2 284.360 -1.303 20 0 CAADLO C[C@H](NC(=O)CN1CC[NH2+]CC1=O)C(=O)N1CCCCC1 ZINC000237626957 269087455 /nfs/dbraw/zinc/08/74/55/269087455.db2.gz WAHVCTUQZDSUFW-NSHDSACASA-N 1 2 296.371 -1.065 20 0 CAADLO CC[C@H](C)NC(=O)[C@H](C)NC(=O)CN1CC[NH2+]CC1=O ZINC000236985809 269087570 /nfs/dbraw/zinc/08/75/70/269087570.db2.gz VUXSRHZXNWYDBF-UWVGGRQHSA-N 1 2 284.360 -1.162 20 0 CAADLO C[C@@H]1CN(C(=O)C[NH+]2C[C@H](O)[C@@H](O)C2)C[C@@H](C)O1 ZINC000235330047 269087581 /nfs/dbraw/zinc/08/75/81/269087581.db2.gz GIDXKLUXIGCUEY-ZNSHCXBVSA-N 1 2 258.318 -1.340 20 0 CAADLO O=C(CN1CC[NH2+]CC1=O)N[C@@H]1CCc2n[nH]cc2C1 ZINC000238114415 269087592 /nfs/dbraw/zinc/08/75/92/269087592.db2.gz BODLYRPQLUUDHR-SNVBAGLBSA-N 1 2 277.328 -1.185 20 0 CAADLO NC(=O)C[C@H]1CCCCN1C(=O)CN1CC[NH2+]CC1=O ZINC000237892757 269087601 /nfs/dbraw/zinc/08/76/01/269087601.db2.gz BRUDUVMINJFFEB-SNVBAGLBSA-N 1 2 282.344 -1.325 20 0 CAADLO C[C@@H](O)C[C@H](C)CNC(=O)CN1CC[NH2+]CC1=O ZINC000237388686 269087610 /nfs/dbraw/zinc/08/76/10/269087610.db2.gz HOKMQALQCZLSBF-VHSXEESVSA-N 1 2 257.334 -1.059 20 0 CAADLO CCC(=O)N[C@H]1CCCN(C(=O)CN2CC[NH2+]CC2=O)C1 ZINC000236802101 269087651 /nfs/dbraw/zinc/08/76/51/269087651.db2.gz NUURXZVOWSJKFI-NSHDSACASA-N 1 2 296.371 -1.065 20 0 CAADLO CNC(=O)[C@@H]1CCCN1C(=O)CN1CC[NH2+]CC1=O ZINC000237151675 269087693 /nfs/dbraw/zinc/08/76/93/269087693.db2.gz HTQRCRTWVWSFMB-VIFPVBQESA-N 1 2 268.317 -1.845 20 0 CAADLO O=C(CNC(=O)[C@@H]1COCC[NH2+]1)NCC(F)(F)F ZINC000393714467 269088185 /nfs/dbraw/zinc/08/81/85/269088185.db2.gz JJMROTNVUUJZBX-LURJTMIESA-N 1 2 269.223 -1.231 20 0 CAADLO CCCNC(=O)NC(=O)C[N@@H+]1C[C@@H](O)[C@H](OC)C1 ZINC000395373175 269088214 /nfs/dbraw/zinc/08/82/14/269088214.db2.gz OGDBVMDATAXCGL-RKDXNWHRSA-N 1 2 259.306 -1.086 20 0 CAADLO CCCNC(=O)NC(=O)C[N@H+]1C[C@@H](O)[C@H](OC)C1 ZINC000395373175 269088215 /nfs/dbraw/zinc/08/82/15/269088215.db2.gz OGDBVMDATAXCGL-RKDXNWHRSA-N 1 2 259.306 -1.086 20 0 CAADLO CC1(C)CC[N@H+](CC(=O)N[C@@H]2CS(=O)(=O)C[C@H]2O)C1 ZINC000519423668 269089243 /nfs/dbraw/zinc/08/92/43/269089243.db2.gz NJRKMOJDKAVZHR-NXEZZACHSA-N 1 2 290.385 -1.008 20 0 CAADLO CC1(C)CC[N@@H+](CC(=O)N[C@@H]2CS(=O)(=O)C[C@H]2O)C1 ZINC000519423668 269089245 /nfs/dbraw/zinc/08/92/45/269089245.db2.gz NJRKMOJDKAVZHR-NXEZZACHSA-N 1 2 290.385 -1.008 20 0 CAADLO CC(C)NC(=O)C[NH+]1CCN(c2nnnn2C)CC1 ZINC000520989429 269089559 /nfs/dbraw/zinc/08/95/59/269089559.db2.gz FWOYYSXQEKJZDF-UHFFFAOYSA-N 1 2 267.337 -1.143 20 0 CAADLO CN1CCC[C@@H](C(=O)N[C@H](CO)C[NH+]2CCOCC2)C1=O ZINC000519596987 269089743 /nfs/dbraw/zinc/08/97/43/269089743.db2.gz YDGIKVSIRICPIO-RYUDHWBXSA-N 1 2 299.371 -1.336 20 0 CAADLO C[C@@H](NS(C)(=O)=O)C(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000522313840 269090023 /nfs/dbraw/zinc/09/00/23/269090023.db2.gz KKUOYDQYWYAREY-VHSXEESVSA-N 1 2 293.389 -1.239 20 0 CAADLO C[C@@H](NS(C)(=O)=O)C(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000522313840 269090024 /nfs/dbraw/zinc/09/00/24/269090024.db2.gz KKUOYDQYWYAREY-VHSXEESVSA-N 1 2 293.389 -1.239 20 0 CAADLO C[C@@H]1C[N@@H+](CCNC(=O)c2cn(C)c(=O)[nH]c2=O)CCO1 ZINC000523777149 269090127 /nfs/dbraw/zinc/09/01/27/269090127.db2.gz VWAVYWIGEYHXEP-SECBINFHSA-N 1 2 296.327 -1.064 20 0 CAADLO C[C@@H]1C[N@H+](CCNC(=O)CN2C(=O)CN(C)C2=O)CCO1 ZINC000523058536 269090189 /nfs/dbraw/zinc/09/01/89/269090189.db2.gz TZTABKSXHIYSEW-SNVBAGLBSA-N 1 2 298.343 -1.283 20 0 CAADLO C[C@@H]1C[N@@H+](CCNC(=O)CN2C(=O)CN(C)C2=O)CCO1 ZINC000523058536 269090191 /nfs/dbraw/zinc/09/01/91/269090191.db2.gz TZTABKSXHIYSEW-SNVBAGLBSA-N 1 2 298.343 -1.283 20 0 CAADLO C[N@H+](CCN1CCCC1=O)CC(=O)N1CCNC(=O)C1 ZINC000522164803 269090315 /nfs/dbraw/zinc/09/03/15/269090315.db2.gz VFPXVIHLHDHYGY-UHFFFAOYSA-N 1 2 282.344 -1.501 20 0 CAADLO C[N@@H+](CCN1CCCC1=O)CC(=O)N1CCNC(=O)C1 ZINC000522164803 269090317 /nfs/dbraw/zinc/09/03/17/269090317.db2.gz VFPXVIHLHDHYGY-UHFFFAOYSA-N 1 2 282.344 -1.501 20 0 CAADLO C[C@@H]1C[N@H+](CCNC(=O)[C@@H]2CC[C@@H](C(N)=O)O2)CCO1 ZINC000526991201 269090744 /nfs/dbraw/zinc/09/07/44/269090744.db2.gz PSTLDESRXWPTCH-VWYCJHECSA-N 1 2 285.344 -1.144 20 0 CAADLO C[C@@H]1C[N@@H+](CCNC(=O)[C@@H]2CC[C@@H](C(N)=O)O2)CCO1 ZINC000526991201 269090745 /nfs/dbraw/zinc/09/07/45/269090745.db2.gz PSTLDESRXWPTCH-VWYCJHECSA-N 1 2 285.344 -1.144 20 0 CAADLO C[C@@H]1C[N@H+](CCNC(=O)[C@H]2CC[C@H](C(N)=O)O2)CCO1 ZINC000526991198 269090963 /nfs/dbraw/zinc/09/09/63/269090963.db2.gz PSTLDESRXWPTCH-GMTAPVOTSA-N 1 2 285.344 -1.144 20 0 CAADLO C[C@@H]1C[N@@H+](CCNC(=O)[C@H]2CC[C@H](C(N)=O)O2)CCO1 ZINC000526991198 269090965 /nfs/dbraw/zinc/09/09/65/269090965.db2.gz PSTLDESRXWPTCH-GMTAPVOTSA-N 1 2 285.344 -1.144 20 0 CAADLO O=C(CO)N1CC[NH+](C[C@@H](O)CC2(O)CCC2)CC1 ZINC000528426393 269091350 /nfs/dbraw/zinc/09/13/50/269091350.db2.gz KHHRZJRTTBVYPY-NSHDSACASA-N 1 2 272.345 -1.211 20 0 CAADLO CNC(=O)NC[C@@H]1C[N@H+](CCOCCO)CCO1 ZINC000528622980 269092247 /nfs/dbraw/zinc/09/22/47/269092247.db2.gz QTCACBTZNQQDCC-SNVBAGLBSA-N 1 2 261.322 -1.375 20 0 CAADLO CNC(=O)NC[C@@H]1C[N@@H+](CCOCCO)CCO1 ZINC000528622980 269092249 /nfs/dbraw/zinc/09/22/49/269092249.db2.gz QTCACBTZNQQDCC-SNVBAGLBSA-N 1 2 261.322 -1.375 20 0 CAADLO CNC(=O)NC[C@H]1C[N@H+](CCOCCO)CCO1 ZINC000528622977 269092412 /nfs/dbraw/zinc/09/24/12/269092412.db2.gz QTCACBTZNQQDCC-JTQLQIEISA-N 1 2 261.322 -1.375 20 0 CAADLO CNC(=O)NC[C@H]1C[N@@H+](CCOCCO)CCO1 ZINC000528622977 269092414 /nfs/dbraw/zinc/09/24/14/269092414.db2.gz QTCACBTZNQQDCC-JTQLQIEISA-N 1 2 261.322 -1.375 20 0 CAADLO CNC(=O)NC[C@@H]1C[N@H+](C[C@@H](O)COC)CCO1 ZINC000528629944 269092506 /nfs/dbraw/zinc/09/25/06/269092506.db2.gz PLAORYRRTAHOGI-NXEZZACHSA-N 1 2 261.322 -1.377 20 0 CAADLO CNC(=O)NC[C@@H]1C[N@@H+](C[C@@H](O)COC)CCO1 ZINC000528629944 269092508 /nfs/dbraw/zinc/09/25/08/269092508.db2.gz PLAORYRRTAHOGI-NXEZZACHSA-N 1 2 261.322 -1.377 20 0 CAADLO CNC(=O)NC[C@@H]1C[N@H+](C[C@H](O)COC)CCO1 ZINC000528629946 269092514 /nfs/dbraw/zinc/09/25/14/269092514.db2.gz PLAORYRRTAHOGI-VHSXEESVSA-N 1 2 261.322 -1.377 20 0 CAADLO CNC(=O)NC[C@@H]1C[N@@H+](C[C@H](O)COC)CCO1 ZINC000528629946 269092515 /nfs/dbraw/zinc/09/25/15/269092515.db2.gz PLAORYRRTAHOGI-VHSXEESVSA-N 1 2 261.322 -1.377 20 0 CAADLO CNC(=O)NC[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)CCO1 ZINC000528630753 269092551 /nfs/dbraw/zinc/09/25/51/269092551.db2.gz VMXNSBMHTPDSSI-SNVBAGLBSA-N 1 2 298.343 -1.235 20 0 CAADLO CNC(=O)NC[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)CCO1 ZINC000528630753 269092552 /nfs/dbraw/zinc/09/25/52/269092552.db2.gz VMXNSBMHTPDSSI-SNVBAGLBSA-N 1 2 298.343 -1.235 20 0 CAADLO CNC(=O)NC[C@H]1C[N@H+](C[C@H](O)COC)CCO1 ZINC000528629945 269092729 /nfs/dbraw/zinc/09/27/29/269092729.db2.gz PLAORYRRTAHOGI-UWVGGRQHSA-N 1 2 261.322 -1.377 20 0 CAADLO CNC(=O)NC[C@H]1C[N@@H+](C[C@H](O)COC)CCO1 ZINC000528629945 269092730 /nfs/dbraw/zinc/09/27/30/269092730.db2.gz PLAORYRRTAHOGI-UWVGGRQHSA-N 1 2 261.322 -1.377 20 0 CAADLO CNC(=O)NC[C@@H]1C[N@@H+]([C@H]2CCCNC2=O)CCO1 ZINC000528622294 269092817 /nfs/dbraw/zinc/09/28/17/269092817.db2.gz HZPUCYFADXOHHE-ZJUUUORDSA-N 1 2 270.333 -1.105 20 0 CAADLO CNC(=O)NC[C@@H]1C[N@H+]([C@H]2CCCNC2=O)CCO1 ZINC000528622294 269092819 /nfs/dbraw/zinc/09/28/19/269092819.db2.gz HZPUCYFADXOHHE-ZJUUUORDSA-N 1 2 270.333 -1.105 20 0 CAADLO CNC(=O)NC[C@H]1CN(CC[NH+]2CCOCC2)CCO1 ZINC000528622778 269092900 /nfs/dbraw/zinc/09/29/00/269092900.db2.gz HQZIUJYAOXZNMD-LBPRGKRZSA-N 1 2 286.376 -1.052 20 0 CAADLO CNC(=O)NC[C@H]1C[N@H+](CCN2CCOCC2)CCO1 ZINC000528622778 269092903 /nfs/dbraw/zinc/09/29/03/269092903.db2.gz HQZIUJYAOXZNMD-LBPRGKRZSA-N 1 2 286.376 -1.052 20 0 CAADLO CNC(=O)NC[C@H]1C[N@@H+](CCN2CCOCC2)CCO1 ZINC000528622778 269092905 /nfs/dbraw/zinc/09/29/05/269092905.db2.gz HQZIUJYAOXZNMD-LBPRGKRZSA-N 1 2 286.376 -1.052 20 0 CAADLO C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)[C@H]1CC(=O)N1 ZINC000529749310 269093955 /nfs/dbraw/zinc/09/39/55/269093955.db2.gz BSDKHVZVFXZEOT-YGRLFVJLSA-N 1 2 297.355 -1.393 20 0 CAADLO C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)[C@H]1CC(=O)N1 ZINC000529749310 269093956 /nfs/dbraw/zinc/09/39/56/269093956.db2.gz BSDKHVZVFXZEOT-YGRLFVJLSA-N 1 2 297.355 -1.393 20 0 CAADLO CC1(C)C[NH+](CC(=O)N2C[C@H](O)C[C@H]2C(N)=O)C1 ZINC000529769212 269094159 /nfs/dbraw/zinc/09/41/59/269094159.db2.gz ULNWEORGBHNEQZ-BDAKNGLRSA-N 1 2 255.318 -1.225 20 0 CAADLO C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)[C@H]1CC(=O)N1 ZINC000529749309 269094309 /nfs/dbraw/zinc/09/43/09/269094309.db2.gz BSDKHVZVFXZEOT-QMTHXVAHSA-N 1 2 297.355 -1.393 20 0 CAADLO C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)[C@H]1CC(=O)N1 ZINC000529749309 269094310 /nfs/dbraw/zinc/09/43/10/269094310.db2.gz BSDKHVZVFXZEOT-QMTHXVAHSA-N 1 2 297.355 -1.393 20 0 CAADLO COC[C@](C)(O)C(=O)NCC[NH+]1CCN(C(C)=O)CC1 ZINC000530782979 269094627 /nfs/dbraw/zinc/09/46/27/269094627.db2.gz OCHKBNZVJPTROM-ZDUSSCGKSA-N 1 2 287.360 -1.336 20 0 CAADLO CN(C[C@@H](O)C[NH+]1CCOCC1)c1nccn2nnnc12 ZINC000530717306 269094696 /nfs/dbraw/zinc/09/46/96/269094696.db2.gz AXULNWUGGPQFLH-SNVBAGLBSA-N 1 2 293.331 -1.351 20 0 CAADLO C[C@@H](C(=O)N1CC[NH+](CCO)CC1)N1C(=O)CCC1=O ZINC000530788125 269094808 /nfs/dbraw/zinc/09/48/08/269094808.db2.gz IOMJMGBVZYJQIE-JTQLQIEISA-N 1 2 283.328 -1.340 20 0 CAADLO C[C@H](C(=O)N1CC[NH+](CCO)CC1)N1C(=O)CCC1=O ZINC000530788129 269094852 /nfs/dbraw/zinc/09/48/52/269094852.db2.gz IOMJMGBVZYJQIE-SNVBAGLBSA-N 1 2 283.328 -1.340 20 0 CAADLO CN1C(=O)C[C@H]([N@@H+]2CCN3C(=O)NC[C@H]3C2)C1=O ZINC000531443095 269094996 /nfs/dbraw/zinc/09/49/96/269094996.db2.gz BIJQEPGRHCBNQI-YUMQZZPRSA-N 1 2 252.274 -1.547 20 0 CAADLO CN1C(=O)C[C@H]([N@H+]2CCN3C(=O)NC[C@H]3C2)C1=O ZINC000531443095 269094999 /nfs/dbraw/zinc/09/49/99/269094999.db2.gz BIJQEPGRHCBNQI-YUMQZZPRSA-N 1 2 252.274 -1.547 20 0 CAADLO CCNC(=O)C[NH+]1CCN(c2nccn3nnnc23)CC1 ZINC000530907193 269095180 /nfs/dbraw/zinc/09/51/80/269095180.db2.gz DZICMQYIXMTWHQ-UHFFFAOYSA-N 1 2 290.331 -1.223 20 0 CAADLO CC(C)(C(N)=O)[NH+]1CCN(c2nccn3nnnc23)CC1 ZINC000530951096 269095368 /nfs/dbraw/zinc/09/53/68/269095368.db2.gz SNXSQPKZGJABND-UHFFFAOYSA-N 1 2 290.331 -1.095 20 0 CAADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C1(C(N)=O)CCC1 ZINC000530958058 269095410 /nfs/dbraw/zinc/09/54/10/269095410.db2.gz FWLUGJPNDIGNEB-NSHDSACASA-N 1 2 299.371 -1.207 20 0 CAADLO COC[C@@](C)(O)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000531497824 269095593 /nfs/dbraw/zinc/09/55/93/269095593.db2.gz YJHQHXPMEWWSSH-DGCLKSJQSA-N 1 2 290.360 -1.465 20 0 CAADLO COCC[N@H+](CCN1CCCS1(=O)=O)[C@@H](C)C(N)=O ZINC000532607470 269095605 /nfs/dbraw/zinc/09/56/05/269095605.db2.gz NWLDTLZBOHXJLU-JTQLQIEISA-N 1 2 293.389 -1.156 20 0 CAADLO COCC[N@@H+](CCN1CCCS1(=O)=O)[C@@H](C)C(N)=O ZINC000532607470 269095606 /nfs/dbraw/zinc/09/56/06/269095606.db2.gz NWLDTLZBOHXJLU-JTQLQIEISA-N 1 2 293.389 -1.156 20 0 CAADLO O=C(NC1CC1)C(=O)N1CC[NH+](CC2(CO)COC2)CC1 ZINC000532058951 269095661 /nfs/dbraw/zinc/09/56/61/269095661.db2.gz OMAFOZUXCDADAR-UHFFFAOYSA-N 1 2 297.355 -1.582 20 0 CAADLO O=C1NC[C@H]2C[N@H+](CCOC[C@@H]3CCCO3)CCN2C1=O ZINC000532223768 269095711 /nfs/dbraw/zinc/09/57/11/269095711.db2.gz ZDWXTYUNAGUMAL-RYUDHWBXSA-N 1 2 297.355 -1.175 20 0 CAADLO O=C1NC[C@H]2C[N@@H+](CCOC[C@@H]3CCCO3)CCN2C1=O ZINC000532223768 269095712 /nfs/dbraw/zinc/09/57/12/269095712.db2.gz ZDWXTYUNAGUMAL-RYUDHWBXSA-N 1 2 297.355 -1.175 20 0 CAADLO COC[C@@](C)(O)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000531497825 269095871 /nfs/dbraw/zinc/09/58/71/269095871.db2.gz YJHQHXPMEWWSSH-WCQYABFASA-N 1 2 290.360 -1.465 20 0 CAADLO CNS(=O)(=O)[C@H]1CC[N@@H+]([C@H]2CCCNC2=O)C1 ZINC000533087129 269096068 /nfs/dbraw/zinc/09/60/68/269096068.db2.gz XXMVNFJGYNLMBC-IUCAKERBSA-N 1 2 261.347 -1.112 20 0 CAADLO CNS(=O)(=O)[C@H]1CC[N@H+]([C@H]2CCCNC2=O)C1 ZINC000533087129 269096069 /nfs/dbraw/zinc/09/60/69/269096069.db2.gz XXMVNFJGYNLMBC-IUCAKERBSA-N 1 2 261.347 -1.112 20 0 CAADLO CNS(=O)(=O)[C@H]1CC[N@H+](CCNS(C)(=O)=O)C1 ZINC000533086827 269096123 /nfs/dbraw/zinc/09/61/23/269096123.db2.gz ZTLQBGCNQYOKIS-QMMMGPOBSA-N 1 2 285.391 -1.841 20 0 CAADLO CNS(=O)(=O)[C@H]1CC[N@@H+](CCNS(C)(=O)=O)C1 ZINC000533086827 269096125 /nfs/dbraw/zinc/09/61/25/269096125.db2.gz ZTLQBGCNQYOKIS-QMMMGPOBSA-N 1 2 285.391 -1.841 20 0 CAADLO O=C(CNC(=O)C1CC1)NC[C@H]1C[NH+]2CCN1CC2 ZINC000533019308 269096129 /nfs/dbraw/zinc/09/61/29/269096129.db2.gz UOANHRMIKWSUDP-NSHDSACASA-N 1 2 266.345 -1.371 20 0 CAADLO CNS(=O)(=O)[C@@H]1CC[N@H+](CC(=O)N2CCNC2=O)C1 ZINC000532757789 269096171 /nfs/dbraw/zinc/09/61/71/269096171.db2.gz HDQIINYTLDKXBJ-MRVPVSSYSA-N 1 2 290.345 -1.838 20 0 CAADLO CNS(=O)(=O)[C@@H]1CC[N@@H+](CC(=O)N2CCNC2=O)C1 ZINC000532757789 269096172 /nfs/dbraw/zinc/09/61/72/269096172.db2.gz HDQIINYTLDKXBJ-MRVPVSSYSA-N 1 2 290.345 -1.838 20 0 CAADLO CNS(=O)(=O)[C@H]1CCC[N@H+](CC(=O)NC(N)=O)C1 ZINC000533060585 269096178 /nfs/dbraw/zinc/09/61/78/269096178.db2.gz BTYXIYWMYUMDGO-ZETCQYMHSA-N 1 2 278.334 -1.805 20 0 CAADLO CNS(=O)(=O)[C@H]1CCC[N@@H+](CC(=O)NC(N)=O)C1 ZINC000533060585 269096179 /nfs/dbraw/zinc/09/61/79/269096179.db2.gz BTYXIYWMYUMDGO-ZETCQYMHSA-N 1 2 278.334 -1.805 20 0 CAADLO CNC(=O)NC(=O)CC[NH+]1CCN(S(N)(=O)=O)CC1 ZINC000532966060 269096189 /nfs/dbraw/zinc/09/61/89/269096189.db2.gz WTQRQAQMLRRBDH-UHFFFAOYSA-N 1 2 293.349 -2.347 20 0 CAADLO CNS(=O)(=O)[C@@H]1CC[N@H+](CC(=O)NCC(=O)OC)C1 ZINC000533086688 269096266 /nfs/dbraw/zinc/09/62/66/269096266.db2.gz VCSXIRDEBJDUBH-MRVPVSSYSA-N 1 2 293.345 -2.101 20 0 CAADLO CNS(=O)(=O)[C@@H]1CC[N@@H+](CC(=O)NCC(=O)OC)C1 ZINC000533086688 269096267 /nfs/dbraw/zinc/09/62/67/269096267.db2.gz VCSXIRDEBJDUBH-MRVPVSSYSA-N 1 2 293.345 -2.101 20 0 CAADLO CNS(=O)(=O)[C@@H]1CC[N@H+](CCNS(C)(=O)=O)C1 ZINC000533086826 269096277 /nfs/dbraw/zinc/09/62/77/269096277.db2.gz ZTLQBGCNQYOKIS-MRVPVSSYSA-N 1 2 285.391 -1.841 20 0 CAADLO CNS(=O)(=O)[C@@H]1CC[N@@H+](CCNS(C)(=O)=O)C1 ZINC000533086826 269096278 /nfs/dbraw/zinc/09/62/78/269096278.db2.gz ZTLQBGCNQYOKIS-MRVPVSSYSA-N 1 2 285.391 -1.841 20 0 CAADLO C[C@H](CC(N)=O)C(=O)N1CCC[N@@H+]([C@@H]2CCNC2=O)CC1 ZINC001196753112 782041588 /nfs/dbraw/zinc/04/15/88/782041588.db2.gz KRJCUSRCWOXGPB-GHMZBOCLSA-N 1 2 296.371 -1.079 20 0 CAADLO C[C@H](CC(N)=O)C(=O)N1CCC[N@H+]([C@@H]2CCNC2=O)CC1 ZINC001196753112 782041598 /nfs/dbraw/zinc/04/15/98/782041598.db2.gz KRJCUSRCWOXGPB-GHMZBOCLSA-N 1 2 296.371 -1.079 20 0 CAADLO C[C@@H](CC(N)=O)C(=O)N1CCC[N@@H+]([C@@H]2CCNC2=O)CC1 ZINC001196753115 782042276 /nfs/dbraw/zinc/04/22/76/782042276.db2.gz KRJCUSRCWOXGPB-WDEREUQCSA-N 1 2 296.371 -1.079 20 0 CAADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2CNC(=O)N2)CC1 ZINC001196962798 782043478 /nfs/dbraw/zinc/04/34/78/782043478.db2.gz JKUNLEVSDHKCCX-JTQLQIEISA-N 1 2 297.359 -1.662 20 0 CAADLO CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2CNC(=O)N2)CC1 ZINC001196962798 782043489 /nfs/dbraw/zinc/04/34/89/782043489.db2.gz JKUNLEVSDHKCCX-JTQLQIEISA-N 1 2 297.359 -1.662 20 0 CAADLO C[C@@H](CC(N)=O)C(=O)N1CCC[N@H+]([C@@H]2CCNC2=O)CC1 ZINC001196753115 782042286 /nfs/dbraw/zinc/04/22/86/782042286.db2.gz KRJCUSRCWOXGPB-WDEREUQCSA-N 1 2 296.371 -1.079 20 0 CAADLO CNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H](COC)OC)CC1 ZINC001197082485 782047169 /nfs/dbraw/zinc/04/71/69/782047169.db2.gz FULSTHPCQQMNQC-LLVKDONJSA-N 1 2 287.360 -1.072 20 0 CAADLO CNC(=O)C[N@H+]1CCCN(C(=O)[C@@H](COC)OC)CC1 ZINC001197082485 782047179 /nfs/dbraw/zinc/04/71/79/782047179.db2.gz FULSTHPCQQMNQC-LLVKDONJSA-N 1 2 287.360 -1.072 20 0 CAADLO C[C@H](O)CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2nc[nH]n2)C1 ZINC001197042135 782047566 /nfs/dbraw/zinc/04/75/66/782047566.db2.gz TVXYGKQNYLBZTR-IVZWLZJFSA-N 1 2 283.332 -1.259 20 0 CAADLO C[C@H](O)CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2nc[nH]n2)C1 ZINC001197042135 782047572 /nfs/dbraw/zinc/04/75/72/782047572.db2.gz TVXYGKQNYLBZTR-IVZWLZJFSA-N 1 2 283.332 -1.259 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCn2cnnn2)C1 ZINC001197154088 782048073 /nfs/dbraw/zinc/04/80/73/782048073.db2.gz CZWDEDIAMALNBE-IWSPIJDZSA-N 1 2 297.319 -2.902 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCn2cnnn2)C1 ZINC001197154088 782048079 /nfs/dbraw/zinc/04/80/79/782048079.db2.gz CZWDEDIAMALNBE-IWSPIJDZSA-N 1 2 297.319 -2.902 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCn2cnnn2)C1 ZINC001197154047 782048099 /nfs/dbraw/zinc/04/80/99/782048099.db2.gz CZWDEDIAMALNBE-DJLDLDEBSA-N 1 2 297.319 -2.902 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCn2cnnn2)C1 ZINC001197154047 782048109 /nfs/dbraw/zinc/04/81/09/782048109.db2.gz CZWDEDIAMALNBE-DJLDLDEBSA-N 1 2 297.319 -2.902 20 0 CAADLO COC(=O)CNC(=S)N1CC[N@H+](C)C[C@H]1C(=O)OC ZINC001197182327 782048875 /nfs/dbraw/zinc/04/88/75/782048875.db2.gz KDZVGXCEIFHKKE-QMMMGPOBSA-N 1 2 289.357 -1.177 20 0 CAADLO COC(=O)CNC(=S)N1CC[N@@H+](C)C[C@H]1C(=O)OC ZINC001197182327 782048885 /nfs/dbraw/zinc/04/88/85/782048885.db2.gz KDZVGXCEIFHKKE-QMMMGPOBSA-N 1 2 289.357 -1.177 20 0 CAADLO COC(=O)CNC(=S)N1CC[N@H+](C)C[C@@H]1C(=O)OC ZINC001197182326 782049120 /nfs/dbraw/zinc/04/91/20/782049120.db2.gz KDZVGXCEIFHKKE-MRVPVSSYSA-N 1 2 289.357 -1.177 20 0 CAADLO COC(=O)CNC(=S)N1CC[N@@H+](C)C[C@@H]1C(=O)OC ZINC001197182326 782049129 /nfs/dbraw/zinc/04/91/29/782049129.db2.gz KDZVGXCEIFHKKE-MRVPVSSYSA-N 1 2 289.357 -1.177 20 0 CAADLO COC(=O)CNC(=S)NC[C@@H]1C[N@H+](C)CCO1 ZINC001197202476 782049970 /nfs/dbraw/zinc/04/99/70/782049970.db2.gz PMJKEHVZKKCLIQ-MRVPVSSYSA-N 1 2 261.347 -1.046 20 0 CAADLO COC(=O)CNC(=S)NC[C@@H]1C[N@@H+](C)CCO1 ZINC001197202476 782049981 /nfs/dbraw/zinc/04/99/81/782049981.db2.gz PMJKEHVZKKCLIQ-MRVPVSSYSA-N 1 2 261.347 -1.046 20 0 CAADLO CC(C)NC(=O)C(=O)N1CC[NH+]([C@H]2COC[C@H]2O)CC1 ZINC000361288790 277647322 /nfs/dbraw/zinc/64/73/22/277647322.db2.gz OETIUSDAJSROSR-WDEREUQCSA-N 1 2 285.344 -1.585 20 0 CAADLO CNC(=O)C[N@@H+]1CCCN(C(=O)CC(=O)N(C)C)CC1 ZINC001197370289 782051058 /nfs/dbraw/zinc/05/10/58/782051058.db2.gz VWFQYJUNTCXBRC-UHFFFAOYSA-N 1 2 284.360 -1.255 20 0 CAADLO CNC(=O)C[N@H+]1CCCN(C(=O)CC(=O)N(C)C)CC1 ZINC001197370289 782051062 /nfs/dbraw/zinc/05/10/62/782051062.db2.gz VWFQYJUNTCXBRC-UHFFFAOYSA-N 1 2 284.360 -1.255 20 0 CAADLO CC(=O)[C@](C)(O)C[N@@H+]1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC000408199729 278238639 /nfs/dbraw/zinc/23/86/39/278238639.db2.gz WCPPDRVXEQNUOW-JOYOIKCWSA-N 1 2 269.301 -2.031 20 0 CAADLO CC(=O)[C@](C)(O)C[N@H+]1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC000408199729 278238641 /nfs/dbraw/zinc/23/86/41/278238641.db2.gz WCPPDRVXEQNUOW-JOYOIKCWSA-N 1 2 269.301 -2.031 20 0 CAADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)C(=O)N1CCC[C@@H]1CO ZINC000340254808 278264703 /nfs/dbraw/zinc/26/47/03/278264703.db2.gz ZUKHTKJDWLSLPL-NWDGAFQWSA-N 1 2 299.371 -1.193 20 0 CAADLO COC1(OC)CC[N@H+](Cc2nc(=O)n(C)[nH]2)C[C@H]1O ZINC001197316171 782051667 /nfs/dbraw/zinc/05/16/67/782051667.db2.gz MSMBJXRLPXCMAE-MRVPVSSYSA-N 1 2 272.305 -1.336 20 0 CAADLO C[C@@H]1[C@@H](N2CCOCC2)CC[N@@H+]1Cc1nc(N)nc(N)n1 ZINC000351980874 279089693 /nfs/dbraw/zinc/08/96/93/279089693.db2.gz FTMJVJSTQOPVMZ-ZJUUUORDSA-N 1 2 293.375 -1.008 20 0 CAADLO C[C@@H]1[C@@H](N2CCOCC2)CC[N@H+]1Cc1nc(N)nc(N)n1 ZINC000351980874 279089694 /nfs/dbraw/zinc/08/96/94/279089694.db2.gz FTMJVJSTQOPVMZ-ZJUUUORDSA-N 1 2 293.375 -1.008 20 0 CAADLO COC1(OC)CC[N@@H+](Cc2nc(=O)n(C)[nH]2)C[C@H]1O ZINC001197316171 782051675 /nfs/dbraw/zinc/05/16/75/782051675.db2.gz MSMBJXRLPXCMAE-MRVPVSSYSA-N 1 2 272.305 -1.336 20 0 CAADLO CC(C)N(C)C(=O)[C@H](C)[N@@H+]1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC000248131001 279343601 /nfs/dbraw/zinc/34/36/01/279343601.db2.gz OKUFPZWGRTYERM-QWRGUYRKSA-N 1 2 296.371 -1.116 20 0 CAADLO CC(C)N(C)C(=O)[C@H](C)[N@H+]1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC000248131001 279343604 /nfs/dbraw/zinc/34/36/04/279343604.db2.gz OKUFPZWGRTYERM-QWRGUYRKSA-N 1 2 296.371 -1.116 20 0 CAADLO C[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)CC(=O)N1C ZINC000282027595 288167718 /nfs/dbraw/zinc/16/77/18/288167718.db2.gz FIFQKGJECNEATR-MRVPVSSYSA-N 1 2 254.290 -1.299 20 0 CAADLO C[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)CC(=O)N1C ZINC000282027595 288167722 /nfs/dbraw/zinc/16/77/22/288167722.db2.gz FIFQKGJECNEATR-MRVPVSSYSA-N 1 2 254.290 -1.299 20 0 CAADLO C[C@@H]1CN(CC[N@@H+]2CCN3C(=O)C(=O)NC[C@H]3C2)CCO1 ZINC000329967052 288171478 /nfs/dbraw/zinc/17/14/78/288171478.db2.gz VYRVVIXECWWYON-NEPJUHHUSA-N 1 2 296.371 -1.650 20 0 CAADLO C[C@@H]1CN(CC[N@H+]2CCN3C(=O)C(=O)NC[C@H]3C2)CCO1 ZINC000329967052 288171479 /nfs/dbraw/zinc/17/14/79/288171479.db2.gz VYRVVIXECWWYON-NEPJUHHUSA-N 1 2 296.371 -1.650 20 0 CAADLO O=C(CCn1cnccc1=O)N[C@@H]1C[N@@H+](CCF)C[C@H]1O ZINC001197334652 782052053 /nfs/dbraw/zinc/05/20/53/782052053.db2.gz YFBHUSZUSHEDMQ-GHMZBOCLSA-N 1 2 298.318 -1.236 20 0 CAADLO O=C(CCn1cnccc1=O)N[C@@H]1C[N@H+](CCF)C[C@H]1O ZINC001197334652 782052065 /nfs/dbraw/zinc/05/20/65/782052065.db2.gz YFBHUSZUSHEDMQ-GHMZBOCLSA-N 1 2 298.318 -1.236 20 0 CAADLO CCS(=O)(=O)NCCC[N@@H+]1C[C@@H](O)C[C@H]1C(=O)OC ZINC000373761906 280020526 /nfs/dbraw/zinc/02/05/26/280020526.db2.gz CJEDGCDUNIUUPL-UWVGGRQHSA-N 1 2 294.373 -1.076 20 0 CAADLO CCS(=O)(=O)NCCC[N@H+]1C[C@@H](O)C[C@H]1C(=O)OC ZINC000373761906 280020527 /nfs/dbraw/zinc/02/05/27/280020527.db2.gz CJEDGCDUNIUUPL-UWVGGRQHSA-N 1 2 294.373 -1.076 20 0 CAADLO CC1(C)CNC(=O)CN1C[C@@H](O)C[NH+]1CCOCC1 ZINC000337377677 281276910 /nfs/dbraw/zinc/27/69/10/281276910.db2.gz BUKOKGJTOYFMAY-NSHDSACASA-N 1 2 271.361 -1.110 20 0 CAADLO CC1(C)CNC(=O)C[N@@H+]1C[C@@H](O)CN1CCOCC1 ZINC000337377677 281276912 /nfs/dbraw/zinc/27/69/12/281276912.db2.gz BUKOKGJTOYFMAY-NSHDSACASA-N 1 2 271.361 -1.110 20 0 CAADLO CC1(C)CNC(=O)C[N@H+]1C[C@@H](O)CN1CCOCC1 ZINC000337377677 281276913 /nfs/dbraw/zinc/27/69/13/281276913.db2.gz BUKOKGJTOYFMAY-NSHDSACASA-N 1 2 271.361 -1.110 20 0 CAADLO C[C@@H]1CO[C@@H](CO)CN1C[C@H](O)C[NH+]1CCOCC1 ZINC000153456078 288386953 /nfs/dbraw/zinc/38/69/53/288386953.db2.gz NFJWCODUWNOSMX-JHJVBQTASA-N 1 2 274.361 -1.239 20 0 CAADLO C[NH+](C)C1CN(C(=O)c2c[nH]c3nc(=O)[nH]c(=O)c-3c2)C1 ZINC000134932708 289072375 /nfs/dbraw/zinc/07/23/75/289072375.db2.gz DOJKESSUWFUOKI-UHFFFAOYSA-N 1 2 289.295 -1.003 20 0 CAADLO CN(C)S(=O)(=O)CC[N@H+](C)[C@@H]1COC[C@H]1O ZINC000352798175 289240944 /nfs/dbraw/zinc/24/09/44/289240944.db2.gz JPAZRJDYNUBIJO-RKDXNWHRSA-N 1 2 252.336 -1.431 20 0 CAADLO CN(C)S(=O)(=O)CC[N@@H+](C)[C@@H]1COC[C@H]1O ZINC000352798175 289240948 /nfs/dbraw/zinc/24/09/48/289240948.db2.gz JPAZRJDYNUBIJO-RKDXNWHRSA-N 1 2 252.336 -1.431 20 0 CAADLO CN(C)S(=O)(=O)CC[N@@H+]1C[C@H]2CCS(=O)(=O)[C@H]2C1 ZINC000352993784 289244604 /nfs/dbraw/zinc/24/46/04/289244604.db2.gz ZAICAEJSHYHZCW-ZJUUUORDSA-N 1 2 296.414 -1.003 20 0 CAADLO CN(C)S(=O)(=O)CC[N@H+]1C[C@H]2CCS(=O)(=O)[C@H]2C1 ZINC000352993784 289244607 /nfs/dbraw/zinc/24/46/07/289244607.db2.gz ZAICAEJSHYHZCW-ZJUUUORDSA-N 1 2 296.414 -1.003 20 0 CAADLO CN(C)S(=O)(=O)CC[N@@H+]1C[C@@H]2CCS(=O)(=O)[C@@H]2C1 ZINC000352993782 289244761 /nfs/dbraw/zinc/24/47/61/289244761.db2.gz ZAICAEJSHYHZCW-VHSXEESVSA-N 1 2 296.414 -1.003 20 0 CAADLO CN(C)S(=O)(=O)CC[N@H+]1C[C@@H]2CCS(=O)(=O)[C@@H]2C1 ZINC000352993782 289244767 /nfs/dbraw/zinc/24/47/67/289244767.db2.gz ZAICAEJSHYHZCW-VHSXEESVSA-N 1 2 296.414 -1.003 20 0 CAADLO CN(C)S(=O)(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000336787559 289251302 /nfs/dbraw/zinc/25/13/02/289251302.db2.gz MEFDHLNLFUNTPO-JTQLQIEISA-N 1 2 281.378 -1.582 20 0 CAADLO CN1CCN(CC(=O)N2C[C@H]3OCC[N@H+](C)[C@H]3C2)CC1=O ZINC000329608330 290039775 /nfs/dbraw/zinc/03/97/75/290039775.db2.gz NBVLKKICVYBFOZ-NWDGAFQWSA-N 1 2 296.371 -1.698 20 0 CAADLO CN1CCN(CC(=O)N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)CC1=O ZINC000329608330 290039776 /nfs/dbraw/zinc/03/97/76/290039776.db2.gz NBVLKKICVYBFOZ-NWDGAFQWSA-N 1 2 296.371 -1.698 20 0 CAADLO C[N@@H+]1CCO[C@H]2CCN(C(=O)C3(CO)COC3)C[C@H]21 ZINC000329175821 290110982 /nfs/dbraw/zinc/11/09/82/290110982.db2.gz LPLZUJDXJOAKPV-MNOVXSKESA-N 1 2 270.329 -1.073 20 0 CAADLO C[N@H+]1CCO[C@H]2CCN(C(=O)C3(CO)COC3)C[C@H]21 ZINC000329175821 290110983 /nfs/dbraw/zinc/11/09/83/290110983.db2.gz LPLZUJDXJOAKPV-MNOVXSKESA-N 1 2 270.329 -1.073 20 0 CAADLO CNC(=O)CCN(C)C(=O)CN1CC[NH2+]CC1=O ZINC000430051694 290389291 /nfs/dbraw/zinc/38/92/91/290389291.db2.gz MSSAWRCHAWOGJG-UHFFFAOYSA-N 1 2 256.306 -1.987 20 0 CAADLO COC[C@H](C)NC(=O)NC(=O)C[N@H+](C)[C@@H]1CCNC1=O ZINC000340225407 293024098 /nfs/dbraw/zinc/02/40/98/293024098.db2.gz ILZSUWCWLUVLRN-DTWKUNHWSA-N 1 2 286.332 -1.333 20 0 CAADLO COC[C@H](C)NC(=O)NC(=O)C[N@@H+](C)[C@@H]1CCNC1=O ZINC000340225407 293024099 /nfs/dbraw/zinc/02/40/99/293024099.db2.gz ILZSUWCWLUVLRN-DTWKUNHWSA-N 1 2 286.332 -1.333 20 0 CAADLO CC(C)OCC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2nnc[nH]2)C1 ZINC001197644515 782057141 /nfs/dbraw/zinc/05/71/41/782057141.db2.gz PCLWOHVVFQPOCM-GHMZBOCLSA-N 1 2 297.359 -1.067 20 0 CAADLO CC(C)OCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2nnc[nH]2)C1 ZINC001197644515 782057131 /nfs/dbraw/zinc/05/71/31/782057131.db2.gz PCLWOHVVFQPOCM-GHMZBOCLSA-N 1 2 297.359 -1.067 20 0 CAADLO C[C@@H]1C[N@H+](CCN2C(=O)NC(C)(C)C2=O)C[C@@H](C(N)=O)O1 ZINC000366113468 297000511 /nfs/dbraw/zinc/00/05/11/297000511.db2.gz BKOXUUOVDQMCQV-BDAKNGLRSA-N 1 2 298.343 -1.109 20 0 CAADLO C[C@@H]1C[N@@H+](CCN2C(=O)NC(C)(C)C2=O)C[C@@H](C(N)=O)O1 ZINC000366113468 297000512 /nfs/dbraw/zinc/00/05/12/297000512.db2.gz BKOXUUOVDQMCQV-BDAKNGLRSA-N 1 2 298.343 -1.109 20 0 CAADLO C[C@@H]1CN(CC[N@@H+]2CCN3C(=O)NC(=O)[C@@H]3C2)CCO1 ZINC000407961610 297002944 /nfs/dbraw/zinc/00/29/44/297002944.db2.gz JAEWUYPLTWJNHY-MNOVXSKESA-N 1 2 282.344 -1.057 20 0 CAADLO C[C@@H]1CN(CC[N@H+]2CCN3C(=O)NC(=O)[C@@H]3C2)CCO1 ZINC000407961610 297002945 /nfs/dbraw/zinc/00/29/45/297002945.db2.gz JAEWUYPLTWJNHY-MNOVXSKESA-N 1 2 282.344 -1.057 20 0 CAADLO NC(=O)C[N@@H+]1CCCN(C(=O)CC(=O)NCC2CC2)CC1 ZINC001197760952 782058243 /nfs/dbraw/zinc/05/82/43/782058243.db2.gz VCVDMEGJMFQMIM-UHFFFAOYSA-N 1 2 296.371 -1.078 20 0 CAADLO NC(=O)C[N@H+]1CCCN(C(=O)CC(=O)NCC2CC2)CC1 ZINC001197760952 782058248 /nfs/dbraw/zinc/05/82/48/782058248.db2.gz VCVDMEGJMFQMIM-UHFFFAOYSA-N 1 2 296.371 -1.078 20 0 CAADLO C[C@@H]1CN(C[C@H](O)C[NH+]2CCOCC2)C[C@H](CO)O1 ZINC000191789100 297023514 /nfs/dbraw/zinc/02/35/14/297023514.db2.gz IZQAOWSXSSBOAP-JHJVBQTASA-N 1 2 274.361 -1.239 20 0 CAADLO Cc1nc(N2CCN3C(=O)C(=O)NC[C@H]3C2)cc[nH+]1 ZINC000131170340 293631749 /nfs/dbraw/zinc/63/17/49/293631749.db2.gz YPJIGZDLBZORED-VIFPVBQESA-N 1 2 261.285 -1.068 20 0 CAADLO O=C(Cc1ncn[nH]1)N1CCC[N@@H+](CCOCCO)CC1 ZINC001197761266 782058758 /nfs/dbraw/zinc/05/87/58/782058758.db2.gz YXKBUKYPZCNIJU-UHFFFAOYSA-N 1 2 297.359 -1.110 20 0 CAADLO O=C(Cc1ncn[nH]1)N1CCC[N@H+](CCOCCO)CC1 ZINC001197761266 782058765 /nfs/dbraw/zinc/05/87/65/782058765.db2.gz YXKBUKYPZCNIJU-UHFFFAOYSA-N 1 2 297.359 -1.110 20 0 CAADLO Cn1[nH]cnc1=NC(=O)N1C[C@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000329184320 294133361 /nfs/dbraw/zinc/13/33/61/294133361.db2.gz PTSXRJNWWXAMSQ-RKDXNWHRSA-N 1 2 266.305 -1.216 20 0 CAADLO Cn1[nH]cnc1=NC(=O)N1C[C@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000329184320 294133364 /nfs/dbraw/zinc/13/33/64/294133364.db2.gz PTSXRJNWWXAMSQ-RKDXNWHRSA-N 1 2 266.305 -1.216 20 0 CAADLO C[C@@H]1C[N@@H+]([C@@H]2COC[C@H]2O)CCN1S(C)(=O)=O ZINC000361356853 297072671 /nfs/dbraw/zinc/07/26/71/297072671.db2.gz UJZJOYSGBZIKSD-OPRDCNLKSA-N 1 2 264.347 -1.288 20 0 CAADLO C[C@@H]1C[N@H+]([C@@H]2COC[C@H]2O)CCN1S(C)(=O)=O ZINC000361356853 297072672 /nfs/dbraw/zinc/07/26/72/297072672.db2.gz UJZJOYSGBZIKSD-OPRDCNLKSA-N 1 2 264.347 -1.288 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CCCN(C(=O)CCNC(N)=O)CC1 ZINC001198065052 782061082 /nfs/dbraw/zinc/06/10/82/782061082.db2.gz CHRSCSIWMCUGBD-SECBINFHSA-N 1 2 285.348 -1.547 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CCCN(C(=O)CCNC(N)=O)CC1 ZINC001198065052 782061094 /nfs/dbraw/zinc/06/10/94/782061094.db2.gz CHRSCSIWMCUGBD-SECBINFHSA-N 1 2 285.348 -1.547 20 0 CAADLO C[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1NC(=O)[C@@H]1CCCO1 ZINC001205822142 782061304 /nfs/dbraw/zinc/06/13/04/782061304.db2.gz HKJCSVKMIVNMIK-BBBLOLIVSA-N 1 2 298.343 -1.203 20 0 CAADLO C[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1NC(=O)[C@@H]1CCCO1 ZINC001205822142 782061318 /nfs/dbraw/zinc/06/13/18/782061318.db2.gz HKJCSVKMIVNMIK-BBBLOLIVSA-N 1 2 298.343 -1.203 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CCCN(C(=O)CCNC(N)=O)CC1 ZINC001198065053 782062268 /nfs/dbraw/zinc/06/22/68/782062268.db2.gz CHRSCSIWMCUGBD-VIFPVBQESA-N 1 2 285.348 -1.547 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CCCN(C(=O)CCNC(N)=O)CC1 ZINC001198065053 782062280 /nfs/dbraw/zinc/06/22/80/782062280.db2.gz CHRSCSIWMCUGBD-VIFPVBQESA-N 1 2 285.348 -1.547 20 0 CAADLO O=C1NCC[C@@H]1[N@@H+]1CCN2CCOC[C@]2(CO)C1 ZINC001198164793 782063222 /nfs/dbraw/zinc/06/32/22/782063222.db2.gz LKHBOZCDOPSWHB-CMPLNLGQSA-N 1 2 255.318 -1.746 20 0 CAADLO O=C1NCC[C@@H]1[N@H+]1CCN2CCOC[C@]2(CO)C1 ZINC001198164793 782063233 /nfs/dbraw/zinc/06/32/33/782063233.db2.gz LKHBOZCDOPSWHB-CMPLNLGQSA-N 1 2 255.318 -1.746 20 0 CAADLO Nc1ncc(C[N@@H+]2CCN3C(=O)C(=O)NC[C@H]3C2)s1 ZINC000261866446 295370651 /nfs/dbraw/zinc/37/06/51/295370651.db2.gz OALZLOHBRJKJHU-ZETCQYMHSA-N 1 2 281.341 -1.132 20 0 CAADLO Nc1ncc(C[N@H+]2CCN3C(=O)C(=O)NC[C@H]3C2)s1 ZINC000261866446 295370656 /nfs/dbraw/zinc/37/06/56/295370656.db2.gz OALZLOHBRJKJHU-ZETCQYMHSA-N 1 2 281.341 -1.132 20 0 CAADLO Nc1ncc(C[N@@H+]2CCN3C(=O)C(=O)NC[C@@H]3C2)s1 ZINC000261866435 295370809 /nfs/dbraw/zinc/37/08/09/295370809.db2.gz OALZLOHBRJKJHU-SSDOTTSWSA-N 1 2 281.341 -1.132 20 0 CAADLO Nc1ncc(C[N@H+]2CCN3C(=O)C(=O)NC[C@@H]3C2)s1 ZINC000261866435 295370811 /nfs/dbraw/zinc/37/08/11/295370811.db2.gz OALZLOHBRJKJHU-SSDOTTSWSA-N 1 2 281.341 -1.132 20 0 CAADLO Nc1[nH+]cnc(N2CCN3C(=O)C(=O)NC[C@@H]3C2)c1Cl ZINC000272964761 295374162 /nfs/dbraw/zinc/37/41/62/295374162.db2.gz BCBJGCOFMVDEGP-ZCFIWIBFSA-N 1 2 296.718 -1.141 20 0 CAADLO Nc1nc[nH+]c(N2CCN3C(=O)C(=O)NC[C@@H]3C2)c1Cl ZINC000272964761 295374164 /nfs/dbraw/zinc/37/41/64/295374164.db2.gz BCBJGCOFMVDEGP-ZCFIWIBFSA-N 1 2 296.718 -1.141 20 0 CAADLO C[C@H](C(=O)N(CC(N)=O)CC(N)=O)[NH+]1CCSCC1 ZINC000269697974 297996410 /nfs/dbraw/zinc/99/64/10/297996410.db2.gz PZISICHXJGNMPE-MRVPVSSYSA-N 1 2 288.373 -1.777 20 0 CAADLO O=C1CC[C@H]2CN(C[C@@H](O)C[NH+]3CCOCC3)CCN12 ZINC000379825122 335091665 /nfs/dbraw/zinc/09/16/65/335091665.db2.gz DUVBRAUJTCNRKI-STQMWFEESA-N 1 2 283.372 -1.014 20 0 CAADLO O=C1CC[C@H]2CN(C[C@H](O)C[NH+]3CCOCC3)CCN12 ZINC000379825121 335091677 /nfs/dbraw/zinc/09/16/77/335091677.db2.gz DUVBRAUJTCNRKI-QWHCGFSZSA-N 1 2 283.372 -1.014 20 0 CAADLO C[C@H](C[NH+]1CCOCC1)NC(=O)N1C[C@@H](O)C[C@H]1CO ZINC000361348363 298640462 /nfs/dbraw/zinc/64/04/62/298640462.db2.gz JXOLJVIDISMZNP-WOPDTQHZSA-N 1 2 287.360 -1.156 20 0 CAADLO C[C@H]1C[N@@H+]([C@@H]2COC[C@H]2O)CCN1S(C)(=O)=O ZINC000463153936 300293014 /nfs/dbraw/zinc/29/30/14/300293014.db2.gz UJZJOYSGBZIKSD-IVZWLZJFSA-N 1 2 264.347 -1.288 20 0 CAADLO C[C@H]1C[N@H+]([C@@H]2COC[C@H]2O)CCN1S(C)(=O)=O ZINC000463153936 300293017 /nfs/dbraw/zinc/29/30/17/300293017.db2.gz UJZJOYSGBZIKSD-IVZWLZJFSA-N 1 2 264.347 -1.288 20 0 CAADLO O=C1NCC[C@@H]1[N@@H+]1CCN2CCOC[C@@]2(CO)C1 ZINC001198164794 782063547 /nfs/dbraw/zinc/06/35/47/782063547.db2.gz LKHBOZCDOPSWHB-JQWIXIFHSA-N 1 2 255.318 -1.746 20 0 CAADLO O=C1NCC[C@@H]1[N@H+]1CCN2CCOC[C@@]2(CO)C1 ZINC001198164794 782063554 /nfs/dbraw/zinc/06/35/54/782063554.db2.gz LKHBOZCDOPSWHB-JQWIXIFHSA-N 1 2 255.318 -1.746 20 0 CAADLO Cn1cc[nH+]c1[C@H]1CN(C(=O)Cn2cnnn2)CCN1C ZINC000333481279 303006631 /nfs/dbraw/zinc/00/66/31/303006631.db2.gz SJBPFMMLRKPMKB-SNVBAGLBSA-N 1 2 290.331 -1.078 20 0 CAADLO NC(=O)NC(=O)C[N@H+](CCC(F)(F)F)C[C@H](O)CO ZINC000441150382 303269668 /nfs/dbraw/zinc/26/96/68/303269668.db2.gz FUJZOIHAQJWGOX-LURJTMIESA-N 1 2 287.238 -1.211 20 0 CAADLO NC(=O)NC(=O)C[N@@H+](CCC(F)(F)F)C[C@H](O)CO ZINC000441150382 303269671 /nfs/dbraw/zinc/26/96/71/303269671.db2.gz FUJZOIHAQJWGOX-LURJTMIESA-N 1 2 287.238 -1.211 20 0 CAADLO CNC(=O)C[N@H+]1CCCN(C(=O)CCCC(N)=O)CC1 ZINC001198378015 782065977 /nfs/dbraw/zinc/06/59/77/782065977.db2.gz CGKLVYBADNXZCJ-UHFFFAOYSA-N 1 2 284.360 -1.078 20 0 CAADLO NC(=O)C[N@@H+]1CCCN(C(=O)CNC(=O)C2CCC2)CC1 ZINC001198252243 782065050 /nfs/dbraw/zinc/06/50/50/782065050.db2.gz LSIHLWSAABWWFO-UHFFFAOYSA-N 1 2 296.371 -1.078 20 0 CAADLO NC(=O)C[N@H+]1CCCN(C(=O)CNC(=O)C2CCC2)CC1 ZINC001198252243 782065062 /nfs/dbraw/zinc/06/50/62/782065062.db2.gz LSIHLWSAABWWFO-UHFFFAOYSA-N 1 2 296.371 -1.078 20 0 CAADLO NS(=O)(=O)N1CC[NH+]([C@@H]2COC[C@@H]2O)CC1 ZINC000340293646 303441043 /nfs/dbraw/zinc/44/10/43/303441043.db2.gz ZQHHZZQKACILOM-SFYZADRCSA-N 1 2 251.308 -2.433 20 0 CAADLO NS(=O)(=O)N1CC[NH+]([C@H]2COC[C@@H]2O)CC1 ZINC000340293647 303441085 /nfs/dbraw/zinc/44/10/85/303441085.db2.gz ZQHHZZQKACILOM-YUMQZZPRSA-N 1 2 251.308 -2.433 20 0 CAADLO CNC(=O)C[N@@H+]1CCCN(C(=O)CCCC(N)=O)CC1 ZINC001198378015 782065967 /nfs/dbraw/zinc/06/59/67/782065967.db2.gz CGKLVYBADNXZCJ-UHFFFAOYSA-N 1 2 284.360 -1.078 20 0 CAADLO Cn1c[nH+]cc1CCC(=O)N[C@@H]1CN(CC(N)=O)C[C@H]1O ZINC001198285269 782064189 /nfs/dbraw/zinc/06/41/89/782064189.db2.gz IHPOJANKINFARK-GHMZBOCLSA-N 1 2 295.343 -2.001 20 0 CAADLO O=C(Cn1cnnn1)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000174478062 303663625 /nfs/dbraw/zinc/66/36/25/303663625.db2.gz BIBPIJRZBBETMW-LLVKDONJSA-N 1 2 280.332 -1.004 20 0 CAADLO NC(=O)NCCC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@H]1O ZINC001198474657 782068100 /nfs/dbraw/zinc/06/81/00/782068100.db2.gz WGLAWNRWUMCABH-IWSPIJDZSA-N 1 2 299.331 -2.905 20 0 CAADLO NC(=O)NCCC(=O)N[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@H]1O ZINC001198474657 782068111 /nfs/dbraw/zinc/06/81/11/782068111.db2.gz WGLAWNRWUMCABH-IWSPIJDZSA-N 1 2 299.331 -2.905 20 0 CAADLO NC(=O)NCCC(=O)N[C@@H]1C[N@H+](C/C=C\Cl)C[C@H]1O ZINC001198489472 782068244 /nfs/dbraw/zinc/06/82/44/782068244.db2.gz GXPGUXUSVUKNLL-FYBVNBSYSA-N 1 2 290.751 -1.041 20 0 CAADLO NC(=O)NCCC(=O)N[C@@H]1C[N@@H+](C/C=C\Cl)C[C@H]1O ZINC001198489472 782068251 /nfs/dbraw/zinc/06/82/51/782068251.db2.gz GXPGUXUSVUKNLL-FYBVNBSYSA-N 1 2 290.751 -1.041 20 0 CAADLO CC(C)[N@@H+](C)CC(=O)NCC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001152439487 782066584 /nfs/dbraw/zinc/06/65/84/782066584.db2.gz NYTABZJGOKKHFB-UHFFFAOYSA-N 1 2 284.364 -1.346 20 0 CAADLO CC(C)[N@H+](C)CC(=O)NCCNCc1nc(=O)n(C)[nH]1 ZINC001152439487 782066592 /nfs/dbraw/zinc/06/65/92/782066592.db2.gz NYTABZJGOKKHFB-UHFFFAOYSA-N 1 2 284.364 -1.346 20 0 CAADLO CC(C)[N@@H+](C)CC(=O)NCCNCc1nc(=O)n(C)[nH]1 ZINC001152439487 782066603 /nfs/dbraw/zinc/06/66/03/782066603.db2.gz NYTABZJGOKKHFB-UHFFFAOYSA-N 1 2 284.364 -1.346 20 0 CAADLO CN1C(=O)COCC12C[NH+](C[C@@H]1COCCO1)C2 ZINC001273777826 782072451 /nfs/dbraw/zinc/07/24/51/782072451.db2.gz DSHAPEOBLMTPIC-SNVBAGLBSA-N 1 2 256.302 -1.055 20 0 CAADLO O=C1COCC2(C[NH+](C[C@H]3COCCO3)C2)N1C1COC1 ZINC001273779303 782073005 /nfs/dbraw/zinc/07/30/05/782073005.db2.gz VBWJUSLTUJBWKL-LBPRGKRZSA-N 1 2 298.339 -1.286 20 0 CAADLO NC(=O)Cn1cc(CNCCC[NH+]2CCOCC2)nn1 ZINC001198969583 782073098 /nfs/dbraw/zinc/07/30/98/782073098.db2.gz QTJYKWJEUHOINN-UHFFFAOYSA-N 1 2 282.348 -1.425 20 0 CAADLO O=C1COCC2(C[NH+](C[C@@H]3COCCO3)C2)N1C1COC1 ZINC001273779302 782073608 /nfs/dbraw/zinc/07/36/08/782073608.db2.gz VBWJUSLTUJBWKL-GFCCVEGCSA-N 1 2 298.339 -1.286 20 0 CAADLO O=C(CNC(=O)[C@H]1CCCOC1)NCC[NH+]1CCOCC1 ZINC000332819114 327660520 /nfs/dbraw/zinc/66/05/20/327660520.db2.gz BXLDLDLKEIGWAX-LBPRGKRZSA-N 1 2 299.371 -1.022 20 0 CAADLO CC(=O)[C@H](NC(=O)C[NH2+][C@@]1(C(N)=O)CCOC1)C(C)C ZINC000563354883 328057717 /nfs/dbraw/zinc/05/77/17/328057717.db2.gz BVZPRNFLMICZOM-YPMHNXCESA-N 1 2 285.344 -1.050 20 0 CAADLO CC(=O)[C@H](NC(=O)C[NH2+][C@]1(C(N)=O)CCOC1)C(C)C ZINC000563354881 328057784 /nfs/dbraw/zinc/05/77/84/328057784.db2.gz BVZPRNFLMICZOM-DGCLKSJQSA-N 1 2 285.344 -1.050 20 0 CAADLO COC(=O)[C@H]1CN(C(=O)CN2CC[NH2+]CC2=O)CCO1 ZINC000563336009 328054703 /nfs/dbraw/zinc/05/47/03/328054703.db2.gz HSAVGDUJPCHQRG-SECBINFHSA-N 1 2 285.300 -2.181 20 0 CAADLO COCCN1CCC[N@@H+]([C@H]2COC[C@H]2O)CC1=O ZINC000571373407 328117597 /nfs/dbraw/zinc/11/75/97/328117597.db2.gz YNAJFCUWUBZIKE-WDEREUQCSA-N 1 2 258.318 -1.073 20 0 CAADLO COCCN1CCC[N@H+]([C@H]2COC[C@H]2O)CC1=O ZINC000571373407 328117598 /nfs/dbraw/zinc/11/75/98/328117598.db2.gz YNAJFCUWUBZIKE-WDEREUQCSA-N 1 2 258.318 -1.073 20 0 CAADLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)C[C@@H]1NC(=O)NC1=O ZINC000571465572 328123691 /nfs/dbraw/zinc/12/36/91/328123691.db2.gz FTNOMIASMBPVPV-ZJUUUORDSA-N 1 2 298.343 -1.236 20 0 CAADLO CC[C@H]1C[N@H+](CCNC(=O)Cn2ncn(C)c2=O)CCO1 ZINC000572817253 328216074 /nfs/dbraw/zinc/21/60/74/328216074.db2.gz XWUDLHIKDVXCAN-NSHDSACASA-N 1 2 297.359 -1.191 20 0 CAADLO CC[C@H]1C[N@@H+](CCNC(=O)Cn2ncn(C)c2=O)CCO1 ZINC000572817253 328216076 /nfs/dbraw/zinc/21/60/76/328216076.db2.gz XWUDLHIKDVXCAN-NSHDSACASA-N 1 2 297.359 -1.191 20 0 CAADLO CN1C[C@]2(CC[N@H+](CCS(C)(=O)=O)C2)OCC1=O ZINC001273811485 782092713 /nfs/dbraw/zinc/09/27/13/782092713.db2.gz IYYOFSKWPDEKED-NSHDSACASA-N 1 2 276.358 -1.036 20 0 CAADLO CN1C[C@]2(CC[N@@H+](CCS(C)(=O)=O)C2)OCC1=O ZINC001273811485 782092724 /nfs/dbraw/zinc/09/27/24/782092724.db2.gz IYYOFSKWPDEKED-NSHDSACASA-N 1 2 276.358 -1.036 20 0 CAADLO COC(=O)[C@H]1CCCN(C(=O)CN2CC[NH2+]CC2=O)C1 ZINC000583091453 329314672 /nfs/dbraw/zinc/31/46/72/329314672.db2.gz XXLPSQNVQRAPBA-JTQLQIEISA-N 1 2 283.328 -1.170 20 0 CAADLO C[C@H](CNC(=O)[C@@H]1C[N@@H+]2CCN1CCC2)S(C)(=O)=O ZINC000535016521 328375960 /nfs/dbraw/zinc/37/59/60/328375960.db2.gz CDNFLEXUEBQCOT-MNOVXSKESA-N 1 2 289.401 -1.074 20 0 CAADLO C[C@H](CNC(=O)[C@@H]1C[N@H+]2CCN1CCC2)S(C)(=O)=O ZINC000535016521 328375961 /nfs/dbraw/zinc/37/59/61/328375961.db2.gz CDNFLEXUEBQCOT-MNOVXSKESA-N 1 2 289.401 -1.074 20 0 CAADLO O=C(CN1CC[NH2+]CC1=O)NCc1ncccc1O ZINC000583933483 326800798 /nfs/dbraw/zinc/80/07/98/326800798.db2.gz XLGPCTUFMZRPLC-UHFFFAOYSA-N 1 2 264.285 -1.165 20 0 CAADLO CC(=O)N1CC[C@@H](C(=O)N[C@H](CO)C[NH+]2CCOCC2)C1 ZINC000556804109 326966338 /nfs/dbraw/zinc/96/63/38/326966338.db2.gz IMELRHUWRVFQPG-OLZOCXBDSA-N 1 2 299.371 -1.336 20 0 CAADLO CCCNC(=O)CCC[N@@H+]1CCN(CC(N)=O)C(=O)C1 ZINC000569016641 327029137 /nfs/dbraw/zinc/02/91/37/327029137.db2.gz BVAKELSJVLIAPC-UHFFFAOYSA-N 1 2 284.360 -1.078 20 0 CAADLO CCCNC(=O)CCC[N@H+]1CCN(CC(N)=O)C(=O)C1 ZINC000569016641 327029138 /nfs/dbraw/zinc/02/91/38/327029138.db2.gz BVAKELSJVLIAPC-UHFFFAOYSA-N 1 2 284.360 -1.078 20 0 CAADLO CC(=O)NCCN(C)C(=O)C(=O)N1CC[NH+](C)CC1 ZINC000584172722 327057315 /nfs/dbraw/zinc/05/73/15/327057315.db2.gz BLAPBXCHUHWULM-UHFFFAOYSA-N 1 2 270.333 -1.645 20 0 CAADLO NC(=O)CC1(NC(=O)CN2CC[NH2+]CC2=O)CCC1 ZINC000584232660 327071209 /nfs/dbraw/zinc/07/12/09/327071209.db2.gz KBZJCXNTYCNNOJ-UHFFFAOYSA-N 1 2 268.317 -1.668 20 0 CAADLO O[C@@H](CN1C[C@@H]2COC[C@H](C1)O2)C[NH+]1CCOCC1 ZINC000558748383 327118683 /nfs/dbraw/zinc/11/86/83/327118683.db2.gz OMIKVMUCOXDZBU-UPJWGTAASA-N 1 2 272.345 -1.221 20 0 CAADLO CC(C)Nc1nc(N[C@@H]2CO[C@@H](C)C2)nc(NCCO)[nH+]1 ZINC000566161868 327151999 /nfs/dbraw/zinc/15/19/99/327151999.db2.gz IUHIWYLQPHCJSR-UWVGGRQHSA-N 1 2 296.375 -1.049 20 0 CAADLO CC(C)Nc1nc(NCCO)[nH+]c(N[C@@H]2CO[C@@H](C)C2)n1 ZINC000566161868 327152001 /nfs/dbraw/zinc/15/20/01/327152001.db2.gz IUHIWYLQPHCJSR-UWVGGRQHSA-N 1 2 296.375 -1.049 20 0 CAADLO CC(C)Nc1nc(NCCO)nc(N[C@@H]2CO[C@@H](C)C2)[nH+]1 ZINC000566161868 327152002 /nfs/dbraw/zinc/15/20/02/327152002.db2.gz IUHIWYLQPHCJSR-UWVGGRQHSA-N 1 2 296.375 -1.049 20 0 CAADLO CCN(C)C(=O)[C@H](C)NC(=O)CN1CC[NH2+]CC1=O ZINC000566195127 327162554 /nfs/dbraw/zinc/16/25/54/327162554.db2.gz ABGPBOSHNXSSAF-VIFPVBQESA-N 1 2 270.333 -1.599 20 0 CAADLO COC(=O)[C@H]1CC[C@@H](C(=O)NC[C@@H]2C[NH+]3CCN2CC3)O1 ZINC000569415586 327173645 /nfs/dbraw/zinc/17/36/45/327173645.db2.gz RUGUEDXNCMHVBQ-GRYCIOLGSA-N 1 2 297.355 -1.177 20 0 CAADLO CC(C)(C(N)=O)[NH+]1CCN(C(=O)[C@H]2CC[C@@H]2C(N)=O)CC1 ZINC000569471181 327182847 /nfs/dbraw/zinc/18/28/47/327182847.db2.gz RBXWJXZBEKSTJL-UWVGGRQHSA-N 1 2 296.371 -1.094 20 0 CAADLO CC(C)(C(N)=O)[NH+]1CCN(C(=O)[C@H]2CC[C@H]2C(N)=O)CC1 ZINC000569471184 327182982 /nfs/dbraw/zinc/18/29/82/327182982.db2.gz RBXWJXZBEKSTJL-ZJUUUORDSA-N 1 2 296.371 -1.094 20 0 CAADLO COCCN1CCN(C(=O)CN2CC[NH2+]CC2=O)CC1=O ZINC000569482072 327184239 /nfs/dbraw/zinc/18/42/39/327184239.db2.gz YZHYXIFATQYIOQ-UHFFFAOYSA-N 1 2 298.343 -2.265 20 0 CAADLO Cn1[nH]c(CN2CCC[C@H](N3CC[NH2+]CC3=O)C2)nc1=O ZINC000569484588 327184670 /nfs/dbraw/zinc/18/46/70/327184670.db2.gz ARRUGVKOADLXQU-JTQLQIEISA-N 1 2 294.359 -1.495 20 0 CAADLO Cn1[nH]c(CN2CCC[C@@H](N3CC[NH2+]CC3=O)C2)nc1=O ZINC000569484589 327184817 /nfs/dbraw/zinc/18/48/17/327184817.db2.gz ARRUGVKOADLXQU-SNVBAGLBSA-N 1 2 294.359 -1.495 20 0 CAADLO O=C(CN1CCOCC1)N1CC[NH+]([C@H]2COC[C@H]2O)CC1 ZINC000559776064 327260871 /nfs/dbraw/zinc/26/08/71/327260871.db2.gz KVPFVJHEGCBCMU-QWHCGFSZSA-N 1 2 299.371 -1.778 20 0 CAADLO O=C(CN1CCOCC1)N1CC[NH+]([C@@H]2COC[C@H]2O)CC1 ZINC000559776063 327260899 /nfs/dbraw/zinc/26/08/99/327260899.db2.gz KVPFVJHEGCBCMU-CHWSQXEVSA-N 1 2 299.371 -1.778 20 0 CAADLO C[C@H]1CN(S(=O)(=O)N2CCC2)CC[N@@H+]1CCO ZINC000560471077 327311776 /nfs/dbraw/zinc/31/17/76/327311776.db2.gz NVEUWIUOMMJOCS-JTQLQIEISA-N 1 2 263.363 -1.065 20 0 CAADLO C[C@H]1CN(S(=O)(=O)N2CCC2)CC[N@H+]1CCO ZINC000560471077 327311778 /nfs/dbraw/zinc/31/17/78/327311778.db2.gz NVEUWIUOMMJOCS-JTQLQIEISA-N 1 2 263.363 -1.065 20 0 CAADLO C[C@@H](C[S@@](C)=O)NC(=O)CN1CC[NH2+]CC1=O ZINC000572600381 327297800 /nfs/dbraw/zinc/29/78/00/327297800.db2.gz RRVSCTHOUAZBEG-WNWIJWBNSA-N 1 2 261.347 -1.699 20 0 CAADLO CC[NH+]1CCN(C(=O)CNC(=O)c2cn[nH]n2)CC1 ZINC000560390127 327304353 /nfs/dbraw/zinc/30/43/53/327304353.db2.gz JSWKJCDZXXKWSW-UHFFFAOYSA-N 1 2 266.305 -1.301 20 0 CAADLO CC[NH+]1CCN(C(=O)CNC(=O)c2cnn[nH]2)CC1 ZINC000560390127 327304355 /nfs/dbraw/zinc/30/43/55/327304355.db2.gz JSWKJCDZXXKWSW-UHFFFAOYSA-N 1 2 266.305 -1.301 20 0 CAADLO O=C(N[C@@H](CO)C[NH+]1CCOCC1)[C@H]1COCCO1 ZINC000560454384 327310099 /nfs/dbraw/zinc/31/00/99/327310099.db2.gz BOSMFSMGMWEJJO-GHMZBOCLSA-N 1 2 274.317 -1.789 20 0 CAADLO C[C@@H](C(=O)N(C)CC(=O)NC1CC1)[N@H+](C)[C@@H]1COC[C@H]1O ZINC000560488691 327313737 /nfs/dbraw/zinc/31/37/37/327313737.db2.gz XZKHLHMINVZZON-MVWJERBFSA-N 1 2 299.371 -1.197 20 0 CAADLO C[C@@H](C(=O)N(C)CC(=O)NC1CC1)[N@@H+](C)[C@@H]1COC[C@H]1O ZINC000560488691 327313738 /nfs/dbraw/zinc/31/37/38/327313738.db2.gz XZKHLHMINVZZON-MVWJERBFSA-N 1 2 299.371 -1.197 20 0 CAADLO C[C@H](C(=O)N(C)CC(=O)NC1CC1)[N@H+](C)[C@@H]1COC[C@H]1O ZINC000560488692 327313784 /nfs/dbraw/zinc/31/37/84/327313784.db2.gz XZKHLHMINVZZON-YUSALJHKSA-N 1 2 299.371 -1.197 20 0 CAADLO C[C@H](C(=O)N(C)CC(=O)NC1CC1)[N@@H+](C)[C@@H]1COC[C@H]1O ZINC000560488692 327313786 /nfs/dbraw/zinc/31/37/86/327313786.db2.gz XZKHLHMINVZZON-YUSALJHKSA-N 1 2 299.371 -1.197 20 0 CAADLO CCC(=O)N1CCCN(C(=O)CN2CC[NH2+]CC2=O)CC1 ZINC000574753315 327371741 /nfs/dbraw/zinc/37/17/41/327371741.db2.gz QHKCBCXMRCWWPA-UHFFFAOYSA-N 1 2 296.371 -1.111 20 0 CAADLO C[C@@H](NC(=O)C[NH+]1CC(C)(C(N)=O)C1)C(=O)N(C)C ZINC000570628776 327605961 /nfs/dbraw/zinc/60/59/61/327605961.db2.gz CMTNKZBWLAHJCA-MRVPVSSYSA-N 1 2 270.333 -1.614 20 0 CAADLO CCC[C@H](NC(=O)CN1CC[NH2+]CC1=O)C(=O)OC ZINC000582544557 329104648 /nfs/dbraw/zinc/10/46/48/329104648.db2.gz UJBKORHYKXGZGP-VIFPVBQESA-N 1 2 271.317 -1.124 20 0 CAADLO CN1C[C@H](NC(=O)CN2CC[NH2+]CC2=O)CC1=O ZINC000582783207 329191081 /nfs/dbraw/zinc/19/10/81/329191081.db2.gz UDOFKSAQSWBCCY-MRVPVSSYSA-N 1 2 254.290 -2.235 20 0 CAADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)CCNS(C)(=O)=O ZINC000046888941 330357603 /nfs/dbraw/zinc/35/76/03/330357603.db2.gz VVVKSNYPLSLKIS-JTQLQIEISA-N 1 2 293.389 -1.237 20 0 CAADLO CC[C@H]1C[N@H+](CCNC(=O)C[C@@H]2NC(=O)NC2=O)CCO1 ZINC000575637060 335109380 /nfs/dbraw/zinc/10/93/80/335109380.db2.gz HNMLLVMJPZAQFO-UWVGGRQHSA-N 1 2 298.343 -1.189 20 0 CAADLO CC[C@H]1C[N@@H+](CCNC(=O)C[C@@H]2NC(=O)NC2=O)CCO1 ZINC000575637060 335109382 /nfs/dbraw/zinc/10/93/82/335109382.db2.gz HNMLLVMJPZAQFO-UWVGGRQHSA-N 1 2 298.343 -1.189 20 0 CAADLO COC(=O)C1(NC(=O)CN2CC[NH2+]CC2=O)CC1 ZINC000566914973 334669217 /nfs/dbraw/zinc/66/92/17/334669217.db2.gz MEDKFXFTBCIDAH-UHFFFAOYSA-N 1 2 255.274 -1.760 20 0 CAADLO CC(=O)NCC[N@@H+](C)CC(=O)N1CCN(C(C)=O)CC1 ZINC000572518471 333051394 /nfs/dbraw/zinc/05/13/94/333051394.db2.gz UFCMWNXGZJHAPA-UHFFFAOYSA-N 1 2 284.360 -1.255 20 0 CAADLO CC(=O)NCC[N@H+](C)CC(=O)N1CCN(C(C)=O)CC1 ZINC000572518471 333051395 /nfs/dbraw/zinc/05/13/95/333051395.db2.gz UFCMWNXGZJHAPA-UHFFFAOYSA-N 1 2 284.360 -1.255 20 0 CAADLO Cn1ccnc1C[NH2+][C@@H]1CC(=O)N(CCOCCO)C1=O ZINC000576118452 335156993 /nfs/dbraw/zinc/15/69/93/335156993.db2.gz MGXDWPCFBBOHML-SNVBAGLBSA-N 1 2 296.327 -1.354 20 0 CAADLO C[C@]1(C(=O)NCC(=O)NCC[NH+]2CCOCC2)CCOC1 ZINC000542655387 333834418 /nfs/dbraw/zinc/83/44/18/333834418.db2.gz MNKPTMPKRRTOIY-AWEZNQCLSA-N 1 2 299.371 -1.022 20 0 CAADLO CNC(=O)C[NH+]1CCC(NS(=O)(=O)NC2CC2)CC1 ZINC000543452072 333875834 /nfs/dbraw/zinc/87/58/34/333875834.db2.gz VAHODEVGIWPBCX-UHFFFAOYSA-N 1 2 290.389 -1.217 20 0 CAADLO CN1CCN(CC(=O)Nc2cc[nH+]cc2O)CC1=O ZINC000545885281 334004043 /nfs/dbraw/zinc/00/40/43/334004043.db2.gz GMZOBRPYURNORM-UHFFFAOYSA-N 1 2 264.285 -1.078 20 0 CAADLO CN1CCN(C[C@@H](O)C[NH+]2CCOCC2)CC1=O ZINC000133079560 334015820 /nfs/dbraw/zinc/01/58/20/334015820.db2.gz YCGHUPKYYHGVKI-NSHDSACASA-N 1 2 257.334 -1.547 20 0 CAADLO COc1c(N)[nH+]cnc1N1CC[C@](O)(C(N)=O)C1 ZINC000311160425 334016277 /nfs/dbraw/zinc/01/62/77/334016277.db2.gz PLHZISRMTWNRKD-SNVBAGLBSA-N 1 2 253.262 -1.506 20 0 CAADLO COc1c(N)nc[nH+]c1N1CC[C@](O)(C(N)=O)C1 ZINC000311160425 334016278 /nfs/dbraw/zinc/01/62/78/334016278.db2.gz PLHZISRMTWNRKD-SNVBAGLBSA-N 1 2 253.262 -1.506 20 0 CAADLO O=C(CNC(=O)c1cncnc1)NCC[NH+]1CCOCC1 ZINC000546918032 334055152 /nfs/dbraw/zinc/05/51/52/334055152.db2.gz PZWOCIWZXMBWOJ-UHFFFAOYSA-N 1 2 293.327 -1.345 20 0 CAADLO C[C@](O)(CNS(=O)(=O)NC1CC1)C[NH+]1CCOCC1 ZINC000547472747 334091264 /nfs/dbraw/zinc/09/12/64/334091264.db2.gz WGOZZJOHTFVEJU-NSHDSACASA-N 1 2 293.389 -1.344 20 0 CAADLO C[C@@](O)(CNS(=O)(=O)NC1CC1)C[NH+]1CCOCC1 ZINC000547472746 334091353 /nfs/dbraw/zinc/09/13/53/334091353.db2.gz WGOZZJOHTFVEJU-LLVKDONJSA-N 1 2 293.389 -1.344 20 0 CAADLO CCNC(=O)CC[NH+]1CCN(S(N)(=O)=O)CC1 ZINC000078516992 334135204 /nfs/dbraw/zinc/13/52/04/334135204.db2.gz YKQWQPZPUHNDEA-UHFFFAOYSA-N 1 2 264.351 -1.666 20 0 CAADLO CN1CCN(CC(=O)NCCn2cc[nH+]c2)CC1=O ZINC000548358174 334151657 /nfs/dbraw/zinc/15/16/57/334151657.db2.gz QLZZDMKUVAJNQQ-UHFFFAOYSA-N 1 2 265.317 -1.227 20 0 CAADLO COC(=O)[C@H]1CNC(=O)CN1C(=O)Cc1c[nH+]cn1C ZINC000548400345 334154091 /nfs/dbraw/zinc/15/40/91/334154091.db2.gz VSGXNYKBYDNJRQ-SECBINFHSA-N 1 2 280.284 -1.537 20 0 CAADLO C[C@H](NC(N)=O)C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000548495869 334160538 /nfs/dbraw/zinc/16/05/38/334160538.db2.gz IOALRZNFCAQFIW-BDAKNGLRSA-N 1 2 258.322 -1.120 20 0 CAADLO C[C@H](NC(N)=O)C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000548495869 334160539 /nfs/dbraw/zinc/16/05/39/334160539.db2.gz IOALRZNFCAQFIW-BDAKNGLRSA-N 1 2 258.322 -1.120 20 0 CAADLO Cn1c[nH+]cc1CCNC(=O)CN1CCN(C)C(=O)C1 ZINC000548701704 334166601 /nfs/dbraw/zinc/16/66/01/334166601.db2.gz ANLXXVQPEPKSGO-UHFFFAOYSA-N 1 2 279.344 -1.147 20 0 CAADLO CC(C)(C(=O)NCCN1C(=O)CNC1=O)[NH+]1CCOCC1 ZINC000548748029 334169173 /nfs/dbraw/zinc/16/91/73/334169173.db2.gz BPJPQWOLFJIVLM-UHFFFAOYSA-N 1 2 298.343 -1.235 20 0 CAADLO CCS(=O)(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000081074417 334178019 /nfs/dbraw/zinc/17/80/19/334178019.db2.gz OTOXQXYGBKRIHO-JTQLQIEISA-N 1 2 266.363 -1.039 20 0 CAADLO CCN1CCCN(C(=O)CN2CC[NH2+]CC2=O)CC1=O ZINC000576277886 335181374 /nfs/dbraw/zinc/18/13/74/335181374.db2.gz XMQCCYBDLSYCQX-UHFFFAOYSA-N 1 2 282.344 -1.501 20 0 CAADLO COC(=O)CNC(=O)CNC(=O)c1c[nH+]c(C)[nH]1 ZINC000549793450 334205102 /nfs/dbraw/zinc/20/51/02/334205102.db2.gz PPJDXIQFJLZTQJ-UHFFFAOYSA-N 1 2 254.246 -1.263 20 0 CAADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)C(=O)NCc1cc[nH]n1 ZINC000549790580 334205185 /nfs/dbraw/zinc/20/51/85/334205185.db2.gz VYGUIHLGVZFKCB-SNVBAGLBSA-N 1 2 295.343 -1.137 20 0 CAADLO C[C@@H]1COCC[N@H+]1CCNC(=O)C(=O)NCc1cc[nH]n1 ZINC000549790580 334205187 /nfs/dbraw/zinc/20/51/87/334205187.db2.gz VYGUIHLGVZFKCB-SNVBAGLBSA-N 1 2 295.343 -1.137 20 0 CAADLO C[C@H]1COCC[N@@H+]1CCNC(=O)CCn1ncn(C)c1=O ZINC000550313198 334219778 /nfs/dbraw/zinc/21/97/78/334219778.db2.gz MFZSRLMMBVMKDL-NSHDSACASA-N 1 2 297.359 -1.191 20 0 CAADLO C[C@H]1COCC[N@H+]1CCNC(=O)CCn1ncn(C)c1=O ZINC000550313198 334219779 /nfs/dbraw/zinc/21/97/79/334219779.db2.gz MFZSRLMMBVMKDL-NSHDSACASA-N 1 2 297.359 -1.191 20 0 CAADLO Cn1c(=O)cccc1C(=O)N[C@H](CO)C[NH+]1CCOCC1 ZINC000552039209 334279859 /nfs/dbraw/zinc/27/98/59/334279859.db2.gz SODJVDSEFKFNEU-NSHDSACASA-N 1 2 295.339 -1.192 20 0 CAADLO CC[C@@H](C(N)=O)[N@@H+]1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC000247989635 334292964 /nfs/dbraw/zinc/29/29/64/334292964.db2.gz JFPHOEDCZMEHAH-YUMQZZPRSA-N 1 2 254.290 -2.107 20 0 CAADLO CC[C@@H](C(N)=O)[N@H+]1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC000247989635 334292965 /nfs/dbraw/zinc/29/29/65/334292965.db2.gz JFPHOEDCZMEHAH-YUMQZZPRSA-N 1 2 254.290 -2.107 20 0 CAADLO CN1CC[C@@H]([N@H+](C)CC(=O)NCC(=O)N2CCCC2)C1=O ZINC000552137582 334293715 /nfs/dbraw/zinc/29/37/15/334293715.db2.gz QLFJASDSGLIQEI-LLVKDONJSA-N 1 2 296.371 -1.113 20 0 CAADLO CN1CC[C@@H]([N@@H+](C)CC(=O)NCC(=O)N2CCCC2)C1=O ZINC000552137582 334293717 /nfs/dbraw/zinc/29/37/17/334293717.db2.gz QLFJASDSGLIQEI-LLVKDONJSA-N 1 2 296.371 -1.113 20 0 CAADLO C[C@@H]1CN(C[C@@H](O)C[NH+]2CCOCC2)C[C@@H](CO)O1 ZINC000248819410 334318227 /nfs/dbraw/zinc/31/82/27/334318227.db2.gz IZQAOWSXSSBOAP-AGIUHOORSA-N 1 2 274.361 -1.239 20 0 CAADLO C[C@H]1CC[N@H+](CC(=O)N2CCNC(=O)C2)[C@@H](C(N)=O)C1 ZINC000249548603 334336171 /nfs/dbraw/zinc/33/61/71/334336171.db2.gz HBHFJNDHBODHKE-VHSXEESVSA-N 1 2 282.344 -1.469 20 0 CAADLO C[C@H]1CC[N@@H+](CC(=O)N2CCNC(=O)C2)[C@@H](C(N)=O)C1 ZINC000249548603 334336172 /nfs/dbraw/zinc/33/61/72/334336172.db2.gz HBHFJNDHBODHKE-VHSXEESVSA-N 1 2 282.344 -1.469 20 0 CAADLO CN(C[C@@H](O)C[NH+]1CCOCC1)c1nnnn1C ZINC000572533597 334360298 /nfs/dbraw/zinc/36/02/98/334360298.db2.gz PJDPDTZYNRDGNX-SECBINFHSA-N 1 2 256.310 -1.661 20 0 CAADLO NC(=O)[C@@H]1CC[C@H]1C(=O)NCC[NH+]1CCOCC1 ZINC000553202135 334368612 /nfs/dbraw/zinc/36/86/12/334368612.db2.gz NHMHDEGUFSEJAZ-NXEZZACHSA-N 1 2 255.318 -1.054 20 0 CAADLO NC(=O)[C@@H]1CC[C@@H]1C(=O)NCC[NH+]1CCOCC1 ZINC000553202138 334368646 /nfs/dbraw/zinc/36/86/46/334368646.db2.gz NHMHDEGUFSEJAZ-ZJUUUORDSA-N 1 2 255.318 -1.054 20 0 CAADLO CC[C@H](C(=O)N[C@@H](CO)C(N)=O)[N@@H+]1CCO[C@@H](CC)C1 ZINC000553309823 334375951 /nfs/dbraw/zinc/37/59/51/334375951.db2.gz IEKGLVHJQPTATN-GARJFASQSA-N 1 2 287.360 -1.162 20 0 CAADLO CC[C@H](C(=O)N[C@@H](CO)C(N)=O)[N@H+]1CCO[C@@H](CC)C1 ZINC000553309823 334375952 /nfs/dbraw/zinc/37/59/52/334375952.db2.gz IEKGLVHJQPTATN-GARJFASQSA-N 1 2 287.360 -1.162 20 0 CAADLO C[C@@H](C(=O)N1C[C@@H]2C(=O)NC(=O)[C@@H]2C1)[NH+]1CCOCC1 ZINC000566468474 334650863 /nfs/dbraw/zinc/65/08/63/334650863.db2.gz CSGZIRFARLOQOO-LPEHRKFASA-N 1 2 281.312 -1.562 20 0 CAADLO COC(=O)CNC(=O)CNC(=O)C[NH+]1CC(C)(C)C1 ZINC000566686506 334660514 /nfs/dbraw/zinc/66/05/14/334660514.db2.gz AFILARVMDDMRDD-UHFFFAOYSA-N 1 2 271.317 -1.266 20 0 CAADLO O=C(CN1CC[NH2+]CC1=O)NCCOC[C@H]1CCCO1 ZINC000568083300 334790646 /nfs/dbraw/zinc/79/06/46/334790646.db2.gz BUDSAGPXSOAYKT-LLVKDONJSA-N 1 2 285.344 -1.270 20 0 CAADLO CCS(=O)(=O)NC1CC[NH+]([C@@H]2CC(=O)NC2=O)CC1 ZINC000568764337 334840087 /nfs/dbraw/zinc/84/00/87/334840087.db2.gz PUFBWMWKLGSMOK-SECBINFHSA-N 1 2 289.357 -1.195 20 0 CAADLO COC(=O)C1(CNC(=O)CN2CC[NH2+]CC2=O)CC1 ZINC000576516662 335213522 /nfs/dbraw/zinc/21/35/22/335213522.db2.gz NZGJDILOBMBIDE-UHFFFAOYSA-N 1 2 269.301 -1.512 20 0 CAADLO CN(CCc1cnccn1)C(=O)CN1CC[NH2+]CC1=O ZINC000576819924 335251404 /nfs/dbraw/zinc/25/14/04/335251404.db2.gz OAIVMHLNTJXUMY-UHFFFAOYSA-N 1 2 277.328 -1.091 20 0 CAADLO COC[C@@H]1CN(C(=O)CN2CC[NH2+]CC2=O)C[C@H](C)O1 ZINC000576986204 335273994 /nfs/dbraw/zinc/27/39/94/335273994.db2.gz MNPBRZBAYADJTD-QWRGUYRKSA-N 1 2 285.344 -1.320 20 0 CAADLO CC[N@H+](CC(=O)N[C@@H]1CS(=O)(=O)C[C@H]1O)C1CC1 ZINC000580568910 335284337 /nfs/dbraw/zinc/28/43/37/335284337.db2.gz UHQKBGAVVCDWAG-NXEZZACHSA-N 1 2 276.358 -1.255 20 0 CAADLO CC[N@@H+](CC(=O)N[C@@H]1CS(=O)(=O)C[C@H]1O)C1CC1 ZINC000580568910 335284338 /nfs/dbraw/zinc/28/43/38/335284338.db2.gz UHQKBGAVVCDWAG-NXEZZACHSA-N 1 2 276.358 -1.255 20 0 CAADLO O=C(NC1CC1)N[C@@H]1CC[N@@H+]([C@H]2CC(=O)NC2=O)C1 ZINC000580579197 335290109 /nfs/dbraw/zinc/29/01/09/335290109.db2.gz FIXRWQALMBZQNB-BDAKNGLRSA-N 1 2 266.301 -1.063 20 0 CAADLO O=C(NC1CC1)N[C@@H]1CC[N@H+]([C@H]2CC(=O)NC2=O)C1 ZINC000580579197 335290111 /nfs/dbraw/zinc/29/01/11/335290111.db2.gz FIXRWQALMBZQNB-BDAKNGLRSA-N 1 2 266.301 -1.063 20 0 CAADLO O=C(NC1CC1)N[C@@H]1CC[N@@H+]([C@@H]2CC(=O)NC2=O)C1 ZINC000580579200 335290169 /nfs/dbraw/zinc/29/01/69/335290169.db2.gz FIXRWQALMBZQNB-RKDXNWHRSA-N 1 2 266.301 -1.063 20 0 CAADLO O=C(NC1CC1)N[C@@H]1CC[N@H+]([C@@H]2CC(=O)NC2=O)C1 ZINC000580579200 335290170 /nfs/dbraw/zinc/29/01/70/335290170.db2.gz FIXRWQALMBZQNB-RKDXNWHRSA-N 1 2 266.301 -1.063 20 0 CAADLO C[C@H]1CN(C(=O)C(=O)N(C)Cc2c[nH+]c[nH]2)C[C@H](CO)O1 ZINC000580580147 335290278 /nfs/dbraw/zinc/29/02/78/335290278.db2.gz BLJBZDQMYXBTOG-GXSJLCMTSA-N 1 2 296.327 -1.024 20 0 CAADLO C[C@H]1CN(C(=O)C(=O)N(C)Cc2c[nH]c[nH+]2)C[C@H](CO)O1 ZINC000580580147 335290280 /nfs/dbraw/zinc/29/02/80/335290280.db2.gz BLJBZDQMYXBTOG-GXSJLCMTSA-N 1 2 296.327 -1.024 20 0 CAADLO C[C@H]1CN(C(=O)C(=O)N(C)Cc2c[nH+]c[nH]2)C[C@@H](CO)O1 ZINC000580580150 335290420 /nfs/dbraw/zinc/29/04/20/335290420.db2.gz BLJBZDQMYXBTOG-ONGXEEELSA-N 1 2 296.327 -1.024 20 0 CAADLO C[C@H]1CN(C(=O)C(=O)N(C)Cc2c[nH]c[nH+]2)C[C@@H](CO)O1 ZINC000580580150 335290422 /nfs/dbraw/zinc/29/04/22/335290422.db2.gz BLJBZDQMYXBTOG-ONGXEEELSA-N 1 2 296.327 -1.024 20 0 CAADLO CNS(=O)(=O)NCC(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000577288910 335335867 /nfs/dbraw/zinc/33/58/67/335335867.db2.gz KJGRPRZWAWNWKL-VIFPVBQESA-N 1 2 294.377 -2.123 20 0 CAADLO CNS(=O)(=O)NCC(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000577288910 335335868 /nfs/dbraw/zinc/33/58/68/335335868.db2.gz KJGRPRZWAWNWKL-VIFPVBQESA-N 1 2 294.377 -2.123 20 0 CAADLO Cn1cnn(CCC(=O)NCCn2cc[nH+]c2)c1=O ZINC000577393014 335347573 /nfs/dbraw/zinc/34/75/73/335347573.db2.gz QGMHUHIVOULKPE-UHFFFAOYSA-N 1 2 264.289 -1.015 20 0 CAADLO COCC(=O)NC[C@@H]1CN(C(=O)COC)CC[N@@H+]1C ZINC000577405051 335349226 /nfs/dbraw/zinc/34/92/26/335349226.db2.gz TYLPWZHKLXHBTA-SNVBAGLBSA-N 1 2 273.333 -1.462 20 0 CAADLO COCC(=O)NC[C@@H]1CN(C(=O)COC)CC[N@H+]1C ZINC000577405051 335349228 /nfs/dbraw/zinc/34/92/28/335349228.db2.gz TYLPWZHKLXHBTA-SNVBAGLBSA-N 1 2 273.333 -1.462 20 0 CAADLO CNS(=O)(=O)NCC(=O)NCCNc1cccc[nH+]1 ZINC000577502092 335360501 /nfs/dbraw/zinc/36/05/01/335360501.db2.gz TYYYQTHPUUZZDT-UHFFFAOYSA-N 1 2 287.345 -1.337 20 0 CAADLO C[C@@H](C(=O)N1CCOC[C@@H]1CC(N)=O)[NH+]1CCOCC1 ZINC000577507399 335361866 /nfs/dbraw/zinc/36/18/66/335361866.db2.gz ZLRYCNRCBAZAPM-QWRGUYRKSA-N 1 2 285.344 -1.190 20 0 CAADLO NC(=O)[C@@H]1CC[C@@H](C(=O)NC[C@@H]2C[NH+]3CCN2CC3)O1 ZINC000577669629 335387527 /nfs/dbraw/zinc/38/75/27/335387527.db2.gz SILOPJPCMSIXIQ-VWYCJHECSA-N 1 2 282.344 -1.865 20 0 CAADLO CN1CCOC[C@@H]1C(=O)N[C@H](CO)C[NH+]1CCOCC1 ZINC000578186561 335547934 /nfs/dbraw/zinc/54/79/34/335547934.db2.gz YXHNNNJSUFBBBO-NWDGAFQWSA-N 1 2 287.360 -1.874 20 0 CAADLO COc1ccnc(CNC(=O)CN2CC[NH2+]CC2=O)n1 ZINC000578889406 335686054 /nfs/dbraw/zinc/68/60/54/335686054.db2.gz MKDKURJDJXSOIL-UHFFFAOYSA-N 1 2 279.300 -1.467 20 0 CAADLO C[C@@H](NC(=O)Cn1ncn(C)c1=O)[C@@H](C)[NH+]1CCOCC1 ZINC000181598430 335772913 /nfs/dbraw/zinc/77/29/13/335772913.db2.gz XHNVVPHLRSILBZ-GHMZBOCLSA-N 1 2 297.359 -1.193 20 0 CAADLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)Cn1cnnn1 ZINC000579784827 335882547 /nfs/dbraw/zinc/88/25/47/335882547.db2.gz YIRUHHDFFWYNRB-JTQLQIEISA-N 1 2 268.321 -1.148 20 0 CAADLO C[C@H](CC(=O)N1CCN(CC(N)=O)C(=O)C1)n1cc[nH+]c1 ZINC000581076796 336005123 /nfs/dbraw/zinc/00/51/23/336005123.db2.gz GQWGSMNUNJRUPF-SNVBAGLBSA-N 1 2 293.327 -1.010 20 0 CAADLO C[C@@H](CC(=O)N1CCN(CC(N)=O)C(=O)C1)n1cc[nH+]c1 ZINC000581076793 336005128 /nfs/dbraw/zinc/00/51/28/336005128.db2.gz GQWGSMNUNJRUPF-JTQLQIEISA-N 1 2 293.327 -1.010 20 0 CAADLO COC(=O)CNC(=O)CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000581380064 336065495 /nfs/dbraw/zinc/06/54/95/336065495.db2.gz GWBIWGFRJNNVJO-SECBINFHSA-N 1 2 294.311 -1.149 20 0 CAADLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)Cn1ncn(C)c1=O ZINC000581983159 336184023 /nfs/dbraw/zinc/18/40/23/336184023.db2.gz AOAAVDLOAZBWKN-LLVKDONJSA-N 1 2 297.359 -1.239 20 0 CAADLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)Cn1ncn(C)c1=O ZINC000581983160 336184188 /nfs/dbraw/zinc/18/41/88/336184188.db2.gz AOAAVDLOAZBWKN-NSHDSACASA-N 1 2 297.359 -1.239 20 0 CAADLO CCO[C@@H]1C[C@H](NC(=O)CN2CC[NH2+]CC2=O)[C@H]1OC ZINC000582001840 336188730 /nfs/dbraw/zinc/18/87/30/336188730.db2.gz OJGXNKPPAIAFOO-OPQQBVKSSA-N 1 2 285.344 -1.273 20 0 CAADLO CCO[C@@H]1C[C@@H](NC(=O)CN2CC[NH2+]CC2=O)[C@@H]1OC ZINC000582001837 336188840 /nfs/dbraw/zinc/18/88/40/336188840.db2.gz OJGXNKPPAIAFOO-BREBYQMCSA-N 1 2 285.344 -1.273 20 0 CAADLO NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CO[C@@H]1CCOC1)C2 ZINC001110560087 782100729 /nfs/dbraw/zinc/10/07/29/782100729.db2.gz XHYQMQBOKBZLBH-KKOKHZNYSA-N 1 2 297.355 -1.001 20 0 CAADLO NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CO[C@@H]1CCOC1)C2 ZINC001110560087 782100735 /nfs/dbraw/zinc/10/07/35/782100735.db2.gz XHYQMQBOKBZLBH-KKOKHZNYSA-N 1 2 297.355 -1.001 20 0 CAADLO C[C@H](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(N)=O)NC(N)=O ZINC001110562626 782103128 /nfs/dbraw/zinc/10/31/28/782103128.db2.gz XBTRLUVYKVKUGV-KYXWUPHJSA-N 1 2 297.359 -1.360 20 0 CAADLO C[C@H](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(N)=O)NC(N)=O ZINC001110562626 782103147 /nfs/dbraw/zinc/10/31/47/782103147.db2.gz XBTRLUVYKVKUGV-KYXWUPHJSA-N 1 2 297.359 -1.360 20 0 CAADLO NC(=O)C[NH2+]C[C@@H]1CN(C(=O)Cc2ncn[nH]2)CCCO1 ZINC001201832835 782107017 /nfs/dbraw/zinc/10/70/17/782107017.db2.gz AKMMPKNAYHZHKN-SECBINFHSA-N 1 2 296.331 -1.960 20 0 CAADLO CC(=O)N(C)CC(=O)NC/C=C/C[NH2+]Cc1nnnn1C ZINC001273868975 782099140 /nfs/dbraw/zinc/09/91/40/782099140.db2.gz BSIPWGVATMWDAM-SNAWJCMRSA-N 1 2 295.347 -1.550 20 0 CAADLO COC(=O)[C@H](O)C[NH+]1CCN(c2ncc(O)cn2)CC1 ZINC001252424652 782113947 /nfs/dbraw/zinc/11/39/47/782113947.db2.gz VSVRZYKEHVQFTD-SNVBAGLBSA-N 1 2 282.300 -1.162 20 0 CAADLO COC(=O)[C@H](O)C[N@@H+]1Cc2ccnn2CC[C@H]1CO ZINC001252424605 782114562 /nfs/dbraw/zinc/11/45/62/782114562.db2.gz VMMVEQRLXOWBEH-WDEREUQCSA-N 1 2 269.301 -1.016 20 0 CAADLO COC(=O)[C@H](O)C[N@H+]1Cc2ccnn2CC[C@H]1CO ZINC001252424605 782114566 /nfs/dbraw/zinc/11/45/66/782114566.db2.gz VMMVEQRLXOWBEH-WDEREUQCSA-N 1 2 269.301 -1.016 20 0 CAADLO COC(=O)[C@H](O)C[N@H+]1CCN(C)[C@@H](C(=O)OC)C1 ZINC001252427872 782115210 /nfs/dbraw/zinc/11/52/10/782115210.db2.gz LLKUQGIITKTHPS-RKDXNWHRSA-N 1 2 260.290 -1.691 20 0 CAADLO COC(=O)[C@H](O)C[N@@H+]1CCN(C)[C@@H](C(=O)OC)C1 ZINC001252427872 782115205 /nfs/dbraw/zinc/11/52/05/782115205.db2.gz LLKUQGIITKTHPS-RKDXNWHRSA-N 1 2 260.290 -1.691 20 0 CAADLO COC(=O)CC[NH+]1CC2(C1)COCC(=O)N2C1COC1 ZINC001273964883 782116721 /nfs/dbraw/zinc/11/67/21/782116721.db2.gz AICSPPBLHZJZKL-UHFFFAOYSA-N 1 2 284.312 -1.139 20 0 CAADLO CNC(=O)NCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cnon3)C[C@H]21 ZINC001114375690 782118249 /nfs/dbraw/zinc/11/82/49/782118249.db2.gz DXSSXWLXWCPEPY-JZYVYDRUSA-N 1 2 294.315 -1.455 20 0 CAADLO CNC(=O)NCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cnon3)C[C@H]21 ZINC001114375690 782118256 /nfs/dbraw/zinc/11/82/56/782118256.db2.gz DXSSXWLXWCPEPY-JZYVYDRUSA-N 1 2 294.315 -1.455 20 0 CAADLO Cc1noc(C[NH2+]CCNC(=O)C[C@H]2CC(=O)NC2=O)n1 ZINC001153882486 782124168 /nfs/dbraw/zinc/12/41/68/782124168.db2.gz HKLGMQFJHJMHNK-QMMMGPOBSA-N 1 2 295.299 -1.363 20 0 CAADLO C/C(=C/C(=O)NCCC(=O)NC(N)=O)C[NH+]1CCOCC1 ZINC001137177360 782126593 /nfs/dbraw/zinc/12/65/93/782126593.db2.gz LYQFOTZPXMXPJB-NTMALXAHSA-N 1 2 298.343 -1.034 20 0 CAADLO CN1CCOC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(N)=O ZINC001095336180 782128678 /nfs/dbraw/zinc/12/86/78/782128678.db2.gz QKIQJYPTHUCECM-NOOOWODRSA-N 1 2 296.371 -1.476 20 0 CAADLO CN1CCOC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(N)=O ZINC001095336180 782128698 /nfs/dbraw/zinc/12/86/98/782128698.db2.gz QKIQJYPTHUCECM-NOOOWODRSA-N 1 2 296.371 -1.476 20 0 CAADLO CC[C@H](C(N)=O)N1C(=O)COCC12C[NH+](C[C@@H](C)O)C2 ZINC001274046806 782130516 /nfs/dbraw/zinc/13/05/16/782130516.db2.gz IEZUGYPKMOWVLJ-NXEZZACHSA-N 1 2 285.344 -1.456 20 0 CAADLO Cc1nonc1C[NH2+]C/C=C\CNC(=O)Cn1ncnn1 ZINC001274027307 782130475 /nfs/dbraw/zinc/13/04/75/782130475.db2.gz VSADZIIFFUDISW-IHWYPQMZSA-N 1 2 292.303 -1.173 20 0 CAADLO C[NH+](C)C[C@@H](CO)NC(=O)C[C@H]1SC(=N)NC1=O ZINC000854467667 582112536 /nfs/dbraw/zinc/11/25/36/582112536.db2.gz XJBSRKXWBTYPGZ-NKWVEPMBSA-N 1 2 274.346 -1.418 20 0 CAADLO COC(CN1C(=O)COCC12C[NH+](C[C@H](C)O)C2)OC ZINC001274045425 782130998 /nfs/dbraw/zinc/13/09/98/782130998.db2.gz KEURZUFGAVPLFX-JTQLQIEISA-N 1 2 288.344 -1.101 20 0 CAADLO C[N@@H+](CCO)CCNC(=O)[C@@H]1CCCCS1(=O)=O ZINC000899737761 582122231 /nfs/dbraw/zinc/12/22/31/582122231.db2.gz PPCBLVMBGNRVFZ-JTQLQIEISA-N 1 2 278.374 -1.006 20 0 CAADLO O=C(Cn1ncnn1)NC/C=C/C[NH2+]Cc1cnon1 ZINC001274024983 782131346 /nfs/dbraw/zinc/13/13/46/782131346.db2.gz KIBQRUCHWJWNPP-OWOJBTEDSA-N 1 2 278.276 -1.482 20 0 CAADLO CNC(=O)C(C)(C)N1C(=O)COCC12C[NH+](C[C@@H](C)O)C2 ZINC001274050853 782132220 /nfs/dbraw/zinc/13/22/20/782132220.db2.gz CKRUJVJLFHXPKC-SNVBAGLBSA-N 1 2 299.371 -1.195 20 0 CAADLO Cn1c[nH+]cc1CN1CC2(CN(CC(N)=O)C2)OCC1=O ZINC001274061885 782132555 /nfs/dbraw/zinc/13/25/55/782132555.db2.gz NYNFHSDBJLKHDF-UHFFFAOYSA-N 1 2 293.327 -1.681 20 0 CAADLO COCCOCN1C(=O)COCC12C[NH+](C[C@H](C)O)C2 ZINC001274048326 782132667 /nfs/dbraw/zinc/13/26/67/782132667.db2.gz YQZODCWUUKCRLA-NSHDSACASA-N 1 2 288.344 -1.099 20 0 CAADLO COCCCN1C[C@]2(CC[N@H+](CC(N)=O)C2)OCC1=O ZINC001274062371 782133768 /nfs/dbraw/zinc/13/37/68/782133768.db2.gz PGOASURREKZNFO-CYBMUJFWSA-N 1 2 285.344 -1.189 20 0 CAADLO NC(=O)C[N@@H+]1CCOC[C@@]2(CC(=O)N(C3COC3)C2)C1 ZINC001274061619 782133654 /nfs/dbraw/zinc/13/36/54/782133654.db2.gz JPZIIAZJWUHWBD-ZDUSSCGKSA-N 1 2 283.328 -1.579 20 0 CAADLO NC(=O)C[N@H+]1CCOC[C@@]2(CC(=O)N(C3COC3)C2)C1 ZINC001274061619 782133657 /nfs/dbraw/zinc/13/36/57/782133657.db2.gz JPZIIAZJWUHWBD-ZDUSSCGKSA-N 1 2 283.328 -1.579 20 0 CAADLO COCCCN1C[C@]2(CC[N@@H+](CC(N)=O)C2)OCC1=O ZINC001274062371 782133772 /nfs/dbraw/zinc/13/37/72/782133772.db2.gz PGOASURREKZNFO-CYBMUJFWSA-N 1 2 285.344 -1.189 20 0 CAADLO CS(=O)(=O)NC[C@@H]1CCCC[N@@H+]1CCS(N)(=O)=O ZINC000740874676 582140088 /nfs/dbraw/zinc/14/00/88/582140088.db2.gz ACYJRDZUEKEDRH-VIFPVBQESA-N 1 2 299.418 -1.321 20 0 CAADLO CS(=O)(=O)NC[C@@H]1CCCC[N@H+]1CCS(N)(=O)=O ZINC000740874676 582140089 /nfs/dbraw/zinc/14/00/89/582140089.db2.gz ACYJRDZUEKEDRH-VIFPVBQESA-N 1 2 299.418 -1.321 20 0 CAADLO C[N@H+](CCN1CCCS1(=O)=O)CCS(N)(=O)=O ZINC000752083459 582143710 /nfs/dbraw/zinc/14/37/10/582143710.db2.gz MLXAGQJRJDKYBR-UHFFFAOYSA-N 1 2 285.391 -1.758 20 0 CAADLO C[N@@H+](CCN1CCCS1(=O)=O)CCS(N)(=O)=O ZINC000752083459 582143711 /nfs/dbraw/zinc/14/37/11/582143711.db2.gz MLXAGQJRJDKYBR-UHFFFAOYSA-N 1 2 285.391 -1.758 20 0 CAADLO COCCS(=O)(=O)CCC[N@H+]1C[C@H](O)C[C@H](O)C1 ZINC000752095730 582143874 /nfs/dbraw/zinc/14/38/74/582143874.db2.gz VOFKMKJEWVWHLE-PHIMTYICSA-N 1 2 281.374 -1.135 20 0 CAADLO COCCS(=O)(=O)CCC[N@@H+]1C[C@H](O)C[C@H](O)C1 ZINC000752095730 582143876 /nfs/dbraw/zinc/14/38/76/582143876.db2.gz VOFKMKJEWVWHLE-PHIMTYICSA-N 1 2 281.374 -1.135 20 0 CAADLO CON(C)C(=O)C[N@@H+]1CCC[C@H](S(N)(=O)=O)C1 ZINC000754113432 582144390 /nfs/dbraw/zinc/14/43/90/582144390.db2.gz ITQDXWOEWPLJAA-QMMMGPOBSA-N 1 2 265.335 -1.241 20 0 CAADLO CON(C)C(=O)C[N@H+]1CCC[C@H](S(N)(=O)=O)C1 ZINC000754113432 582144392 /nfs/dbraw/zinc/14/43/92/582144392.db2.gz ITQDXWOEWPLJAA-QMMMGPOBSA-N 1 2 265.335 -1.241 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@]12CCN(C[C@H]1CCC(=O)N1)C2=O ZINC001274061639 782133915 /nfs/dbraw/zinc/13/39/15/782133915.db2.gz KHEACCMLPCUVDC-QMTHXVAHSA-N 1 2 294.355 -1.183 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@]12CCN(C[C@H]1CCC(=O)N1)C2=O ZINC001274061639 782133920 /nfs/dbraw/zinc/13/39/20/782133920.db2.gz KHEACCMLPCUVDC-QMTHXVAHSA-N 1 2 294.355 -1.183 20 0 CAADLO NC(=O)CN1CC2(C1)COCC(=O)N2CCn1cc[nH+]c1 ZINC001274062567 782134138 /nfs/dbraw/zinc/13/41/38/782134138.db2.gz SMXFSKMKSBVEOO-UHFFFAOYSA-N 1 2 293.327 -1.718 20 0 CAADLO CC[C@H](C(N)=O)N1C[C@]2(CC[N@H+](CC(N)=O)C2)OCC1=O ZINC001274062747 782134587 /nfs/dbraw/zinc/13/45/87/782134587.db2.gz WYIJKQALLGSJKS-NOZJJQNGSA-N 1 2 298.343 -1.961 20 0 CAADLO CC[C@H](C(N)=O)N1C[C@]2(CC[N@@H+](CC(N)=O)C2)OCC1=O ZINC001274062747 782134594 /nfs/dbraw/zinc/13/45/94/782134594.db2.gz WYIJKQALLGSJKS-NOZJJQNGSA-N 1 2 298.343 -1.961 20 0 CAADLO Cn1c[nH+]cc1CN1C(=O)COCC12CN(CC(N)=O)C2 ZINC001274062520 782134620 /nfs/dbraw/zinc/13/46/20/782134620.db2.gz YCJFFNRDYLXBCE-UHFFFAOYSA-N 1 2 293.327 -1.681 20 0 CAADLO CC[C@@H](C(N)=O)N1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2CC(N)=O ZINC001274062859 782134657 /nfs/dbraw/zinc/13/46/57/782134657.db2.gz ZIWJQOXGUPUJAX-IVZWLZJFSA-N 1 2 282.344 -1.199 20 0 CAADLO CC[C@@H](C(N)=O)N1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2CC(N)=O ZINC001274062859 782134664 /nfs/dbraw/zinc/13/46/64/782134664.db2.gz ZIWJQOXGUPUJAX-IVZWLZJFSA-N 1 2 282.344 -1.199 20 0 CAADLO CCNC(=O)CN1C(=O)COCC12C[NH+](C[C@H](C)CO)C2 ZINC001274068314 782135636 /nfs/dbraw/zinc/13/56/36/782135636.db2.gz DUNSOPGVZQLSOJ-NSHDSACASA-N 1 2 299.371 -1.336 20 0 CAADLO C[C@@H](NC(=S)NCC(N)=O)[C@H]1C[N@H+](C)CCO1 ZINC000769794483 582152133 /nfs/dbraw/zinc/15/21/33/582152133.db2.gz PBFFYHXMCBRWKU-HTQZYQBOSA-N 1 2 260.363 -1.345 20 0 CAADLO C[C@@H](NC(=S)NCC(N)=O)[C@H]1C[N@@H+](C)CCO1 ZINC000769794483 582152134 /nfs/dbraw/zinc/15/21/34/582152134.db2.gz PBFFYHXMCBRWKU-HTQZYQBOSA-N 1 2 260.363 -1.345 20 0 CAADLO CNC(=O)NC(=O)CC[N@@H+]1CC(=O)N(C)C[C@@H]1C ZINC000782596222 582158960 /nfs/dbraw/zinc/15/89/60/582158960.db2.gz OGSRNWYFZRXHEX-QMMMGPOBSA-N 1 2 256.306 -1.005 20 0 CAADLO CNC(=O)NC(=O)CC[N@H+]1CC(=O)N(C)C[C@@H]1C ZINC000782596222 582158962 /nfs/dbraw/zinc/15/89/62/582158962.db2.gz OGSRNWYFZRXHEX-QMMMGPOBSA-N 1 2 256.306 -1.005 20 0 CAADLO CC(=O)N[C@@H](C)C(=O)NCCC[NH2+]Cc1nnn(C)n1 ZINC001154370780 782138836 /nfs/dbraw/zinc/13/88/36/782138836.db2.gz XABPSUFOTHNRPI-QMMMGPOBSA-N 1 2 283.336 -1.669 20 0 CAADLO C[C@H]([NH2+]C/C=C\CNC(=O)C(N)=O)c1nnnn1C1CC1 ZINC001274326326 782143918 /nfs/dbraw/zinc/14/39/18/782143918.db2.gz VFCOCOLIPSMRQL-KZUAUGPASA-N 1 2 293.331 -1.184 20 0 CAADLO Cc1nonc1C[NH2+]CC=CCNC(=O)[C@@H]1CNC(=O)N1 ZINC001274326603 782145933 /nfs/dbraw/zinc/14/59/33/782145933.db2.gz ZXZWNISOOFLBCJ-ZMWSMAPVSA-N 1 2 294.315 -1.179 20 0 CAADLO Cn1cc(C(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)c(=O)[nH]c1=O ZINC001274414571 782145967 /nfs/dbraw/zinc/14/59/67/782145967.db2.gz DPFOATVPPLSXLG-ZJUUUORDSA-N 1 2 294.311 -1.359 20 0 CAADLO Cn1cc(C(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)c(=O)[nH]c1=O ZINC001274414571 782145970 /nfs/dbraw/zinc/14/59/70/782145970.db2.gz DPFOATVPPLSXLG-ZJUUUORDSA-N 1 2 294.311 -1.359 20 0 CAADLO Cc1nonc1C[NH2+]CC=CCNC(=O)[C@H]1CNC(=O)N1 ZINC001274326602 782145236 /nfs/dbraw/zinc/14/52/36/782145236.db2.gz ZXZWNISOOFLBCJ-VMZHVLLKSA-N 1 2 294.315 -1.179 20 0 CAADLO NC(=O)C[NH2+]C/C=C\CNC(=O)CCn1cnnn1 ZINC001274465051 782148086 /nfs/dbraw/zinc/14/80/86/782148086.db2.gz UCZRESYPZDEMMV-UPHRSURJSA-N 1 2 267.293 -2.190 20 0 CAADLO Cn1cncc1CC(=O)NC/C=C/C[NH2+]CC(N)=O ZINC001274499627 782148200 /nfs/dbraw/zinc/14/82/00/782148200.db2.gz WYUYSMZMOYRAFE-NSCUHMNNSA-N 1 2 265.317 -1.290 20 0 CAADLO C[C@H](O)C[NH2+]C/C=C/CNC(=O)CCn1cnnn1 ZINC001274464882 782148353 /nfs/dbraw/zinc/14/83/53/782148353.db2.gz RGNQNAYPRINDJX-PBKGFPTLSA-N 1 2 268.321 -1.294 20 0 CAADLO NC(=O)c1c[nH]c(C(=O)NC/C=C\C[NH2+]CCO)c1 ZINC001274473177 782148434 /nfs/dbraw/zinc/14/84/34/782148434.db2.gz RAMRECMMXOPOGE-UPHRSURJSA-N 1 2 266.301 -1.019 20 0 CAADLO NC(=O)c1c[nH]c(C(=O)NC/C=C/C[NH2+]CCO)c1 ZINC001274473176 782148443 /nfs/dbraw/zinc/14/84/43/782148443.db2.gz RAMRECMMXOPOGE-OWOJBTEDSA-N 1 2 266.301 -1.019 20 0 CAADLO CS(=O)(=O)CC(=O)N1CCC(O)(C[NH2+]CCO)CC1 ZINC001274502915 782148457 /nfs/dbraw/zinc/14/84/57/782148457.db2.gz YKANUJBBEPPZDO-UHFFFAOYSA-N 1 2 294.373 -2.034 20 0 CAADLO COc1ccc(C(=O)NC/C=C\C[NH2+]CC(N)=O)nn1 ZINC001274489032 782148603 /nfs/dbraw/zinc/14/86/03/782148603.db2.gz BQGRVPDQTSXWSW-IHWYPQMZSA-N 1 2 279.300 -1.154 20 0 CAADLO CC(=O)NC(C)(C)C(=O)NC/C=C\C[NH2+]CC(N)=O ZINC001274448715 782148476 /nfs/dbraw/zinc/14/84/76/782148476.db2.gz UYLYGTAEPIKFRW-PLNGDYQASA-N 1 2 270.333 -1.352 20 0 CAADLO CC(C)(C)[C@H](NC(N)=O)C(=O)NC/C=C/C[NH2+]CC(N)=O ZINC001274499621 782148556 /nfs/dbraw/zinc/14/85/56/782148556.db2.gz WXJSPHCJRPYTPP-ORAHPGNNSA-N 1 2 299.375 -1.183 20 0 CAADLO COCCCC(=O)N1CCC(O)(C[NH2+]CC(N)=O)CC1 ZINC001274494258 782148623 /nfs/dbraw/zinc/14/86/23/782148623.db2.gz MINSBMGQBGQHMO-UHFFFAOYSA-N 1 2 287.360 -1.159 20 0 CAADLO Cn1ncnc1C[NH2+]C/C=C/CNC(=O)CCNC(N)=O ZINC001274558481 782150128 /nfs/dbraw/zinc/15/01/28/782150128.db2.gz AJFPPDFLRSKVCQ-NSCUHMNNSA-N 1 2 295.347 -1.365 20 0 CAADLO Cn1ncc(C[NH2+]C/C=C/CNC(=O)CCNC(N)=O)n1 ZINC001274560220 782149809 /nfs/dbraw/zinc/14/98/09/782149809.db2.gz SLQQUUHJFIWZFC-NSCUHMNNSA-N 1 2 295.347 -1.365 20 0 CAADLO O=C([C@H]1CCC(=O)N1)N1CCC(O)(C[NH2+]CCO)CC1 ZINC001274502663 782148697 /nfs/dbraw/zinc/14/86/97/782148697.db2.gz WYPFTJHESYWKPB-SNVBAGLBSA-N 1 2 285.344 -1.800 20 0 CAADLO C[C@@H]1OCC[C@@H]1C(=O)NC/C=C/C[NH2+]CC(=O)NC(N)=O ZINC001274463727 782148761 /nfs/dbraw/zinc/14/87/61/782148761.db2.gz IKACGYLHROFSJZ-AQHVTNBVSA-N 1 2 298.343 -1.132 20 0 CAADLO CCOCCC(=O)N1CCC(O)(C[NH2+]CC(N)=O)CC1 ZINC001274501022 782148806 /nfs/dbraw/zinc/14/88/06/782148806.db2.gz FHKBHDQRDITOFJ-UHFFFAOYSA-N 1 2 287.360 -1.159 20 0 CAADLO COCCCN1C(=O)COCC12C[NH+](C[C@H](O)CO)C2 ZINC001274565728 782151465 /nfs/dbraw/zinc/15/14/65/782151465.db2.gz SPMNOQYYEMKBJW-NSHDSACASA-N 1 2 288.344 -1.711 20 0 CAADLO CCNC(=O)CN1C(=O)COCC12C[NH+](C[C@H](O)CC)C2 ZINC001274552496 782150501 /nfs/dbraw/zinc/15/05/01/782150501.db2.gz HTHZJBMFWBOAHZ-LLVKDONJSA-N 1 2 299.371 -1.193 20 0 CAADLO CCS(=O)(=O)CC(=O)N[C@@H](CO)C[NH+]1CCCC1 ZINC000808220032 582170086 /nfs/dbraw/zinc/17/00/86/582170086.db2.gz WBTYZKISABBVMI-SNVBAGLBSA-N 1 2 278.374 -1.006 20 0 CAADLO CC[C@@H](C(N)=O)N1C(=O)COCC12C[NH+](CC(C)(C)O)C2 ZINC001274593195 782152976 /nfs/dbraw/zinc/15/29/76/782152976.db2.gz KCWCFEURUJPLDH-JTQLQIEISA-N 1 2 299.371 -1.066 20 0 CAADLO CC[C@H](C(N)=O)N1CC2(C[NH+](CC(C)(C)O)C2)OCC1=O ZINC001274592546 782153022 /nfs/dbraw/zinc/15/30/22/782153022.db2.gz ALVGYSAWHOTVMV-SNVBAGLBSA-N 1 2 299.371 -1.066 20 0 CAADLO CCNC(=O)CN1CC2(C[NH+](CC(C)(C)O)C2)OCC1=O ZINC001274592611 782153097 /nfs/dbraw/zinc/15/30/97/782153097.db2.gz CDANMHJLEFBIJF-UHFFFAOYSA-N 1 2 299.371 -1.193 20 0 CAADLO CCNC(=O)CN1C(=O)COCC12C[NH+](CC(C)(C)O)C2 ZINC001274592764 782153440 /nfs/dbraw/zinc/15/34/40/782153440.db2.gz DLIHGAMZUFJZOU-UHFFFAOYSA-N 1 2 299.371 -1.193 20 0 CAADLO CS(=O)(=O)CS(=O)(=O)N1CCC(F)(F)[C@@H]([NH3+])C1 ZINC000717893098 782155100 /nfs/dbraw/zinc/15/51/00/782155100.db2.gz VLVYMWFZMGOPJX-LURJTMIESA-N 1 2 292.329 -1.013 20 0 CAADLO CN1CCN(CC(=O)NOCC[NH+](C)C)CC1=O ZINC000854945785 582237159 /nfs/dbraw/zinc/23/71/59/582237159.db2.gz POXSDIGCCUDGQW-UHFFFAOYSA-N 1 2 258.322 -1.630 20 0 CAADLO COC(=O)CNC(=O)C[N@@H+](C)CCN(C)C(=O)OC ZINC000852571944 582230432 /nfs/dbraw/zinc/23/04/32/582230432.db2.gz JKFKLPSWXOLGKA-UHFFFAOYSA-N 1 2 275.305 -1.094 20 0 CAADLO O=C(CCCCO)N[C@@H](CO)C[NH+]1CCOCC1 ZINC000868029811 582255758 /nfs/dbraw/zinc/25/57/58/582255758.db2.gz QMWRZSNHHQVNBP-LLVKDONJSA-N 1 2 260.334 -1.042 20 0 CAADLO CN(C)S(=O)(=O)N1CC([NH2+]Cc2cnc[nH]2)C1 ZINC000864050049 582250769 /nfs/dbraw/zinc/25/07/69/582250769.db2.gz SFKAVIWQMOCVEJ-UHFFFAOYSA-N 1 2 259.335 -1.010 20 0 CAADLO Cn1nnnc1CC[N@@H+]1CCSC[C@@H]1C(N)=O ZINC000878330066 582266155 /nfs/dbraw/zinc/26/61/55/582266155.db2.gz WUAMWZRREXSNRE-SSDOTTSWSA-N 1 2 256.335 -1.345 20 0 CAADLO Cn1nnnc1CC[N@H+]1CCSC[C@@H]1C(N)=O ZINC000878330066 582266156 /nfs/dbraw/zinc/26/61/56/582266156.db2.gz WUAMWZRREXSNRE-SSDOTTSWSA-N 1 2 256.335 -1.345 20 0 CAADLO C[C@@H](C[NH+](C)C)NS(=O)(=O)N1CCS(=O)(=O)CC1 ZINC000344909760 533735050 /nfs/dbraw/zinc/73/50/50/533735050.db2.gz CQQWTSCFFOTRBS-VIFPVBQESA-N 1 2 299.418 -1.499 20 0 CAADLO COC(=O)Cc1nc(NC(=O)CN2CC[NH2+]CC2=O)n[nH]1 ZINC000429948483 533776063 /nfs/dbraw/zinc/77/60/63/533776063.db2.gz MSCPGNFIMHJYCD-UHFFFAOYSA-N 1 2 296.287 -2.110 20 0 CAADLO C[C@H](NC(N)=O)C(=O)N(C)CC[NH+]1CCOCC1 ZINC000171418621 533785761 /nfs/dbraw/zinc/78/57/61/533785761.db2.gz LMFXRNNTVKUGBM-VIFPVBQESA-N 1 2 258.322 -1.166 20 0 CAADLO COC(=O)Cn1cc(CC[N@@H+]2CCNC(=O)[C@H]2C)nn1 ZINC000158131750 533787452 /nfs/dbraw/zinc/78/74/52/533787452.db2.gz LFMFRBVWUVXBGZ-SECBINFHSA-N 1 2 281.316 -1.186 20 0 CAADLO COC(=O)Cn1cc(CC[N@H+]2CCNC(=O)[C@H]2C)nn1 ZINC000158131750 533787459 /nfs/dbraw/zinc/78/74/59/533787459.db2.gz LFMFRBVWUVXBGZ-SECBINFHSA-N 1 2 281.316 -1.186 20 0 CAADLO COC(=O)Cn1cc(CC[N@@H+]2CCN(C)C(=O)C2)nn1 ZINC000151411294 533788255 /nfs/dbraw/zinc/78/82/55/533788255.db2.gz JYHUMXYVXVURQQ-UHFFFAOYSA-N 1 2 281.316 -1.232 20 0 CAADLO COC(=O)Cn1cc(CC[N@H+]2CCN(C)C(=O)C2)nn1 ZINC000151411294 533788266 /nfs/dbraw/zinc/78/82/66/533788266.db2.gz JYHUMXYVXVURQQ-UHFFFAOYSA-N 1 2 281.316 -1.232 20 0 CAADLO C[C@@H](CN1CCCC1=O)NC(=O)CN1CC[NH2+]CC1=O ZINC000429971923 533810716 /nfs/dbraw/zinc/81/07/16/533810716.db2.gz FQUGCXIPPMLKEI-JTQLQIEISA-N 1 2 282.344 -1.455 20 0 CAADLO C[C@H]1CN(C(=O)CN2CC[NH2+]CC2=O)CCS1(=O)=O ZINC000430405123 533834453 /nfs/dbraw/zinc/83/44/53/533834453.db2.gz SERZOCNBXPWGEZ-VIFPVBQESA-N 1 2 289.357 -1.936 20 0 CAADLO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)[C@@H]1COC(=O)N1 ZINC000495795167 533840574 /nfs/dbraw/zinc/84/05/74/533840574.db2.gz XBXJSKCCBLUDNM-UWVGGRQHSA-N 1 2 270.333 -1.153 20 0 CAADLO COC(=O)N(C)CC(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000493881319 533855825 /nfs/dbraw/zinc/85/58/25/533855825.db2.gz XXHDFTSBPIGMSK-JTQLQIEISA-N 1 2 270.333 -1.199 20 0 CAADLO C[C@@H](CN1CCOCC1)[NH+]1CCN(C(=O)CO)CC1 ZINC000089267297 533856906 /nfs/dbraw/zinc/85/69/06/533856906.db2.gz JEBWTBZJWLDJTL-LBPRGKRZSA-N 1 2 271.361 -1.156 20 0 CAADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)N1CCNC(=O)C1 ZINC000194458162 533859206 /nfs/dbraw/zinc/85/92/06/533859206.db2.gz RXSANJALNNUQCO-JTQLQIEISA-N 1 2 270.333 -1.152 20 0 CAADLO C[C@@H](CN1CCOCC1)NC(=O)CN1CC[NH2+]CC1=O ZINC000165047044 533859620 /nfs/dbraw/zinc/85/96/20/533859620.db2.gz HXYRLCYJAZULAC-NSHDSACASA-N 1 2 284.360 -1.745 20 0 CAADLO COC(=O)N(C)CC(=O)N[C@@H](CO)C[NH+]1CCOCC1 ZINC000495728650 533860711 /nfs/dbraw/zinc/86/07/11/533860711.db2.gz MISPPNILGSEDCS-SNVBAGLBSA-N 1 2 289.332 -1.506 20 0 CAADLO COC(=O)N(C)CC(=O)N[C@H](CO)C[NH+]1CCOCC1 ZINC000495728647 533863150 /nfs/dbraw/zinc/86/31/50/533863150.db2.gz MISPPNILGSEDCS-JTQLQIEISA-N 1 2 289.332 -1.506 20 0 CAADLO Cn1ncnc1C1(O)CN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001303145946 782157982 /nfs/dbraw/zinc/15/79/82/782157982.db2.gz ZJWBPHXNJDEOJT-UHFFFAOYSA-N 1 2 262.273 -1.189 20 0 CAADLO C[C@H]1C[N@H+](CC(=O)N2CCNC2=O)C[C@@H](CO)O1 ZINC000230014780 533908847 /nfs/dbraw/zinc/90/88/47/533908847.db2.gz PUFBHXYSYAOXQJ-IUCAKERBSA-N 1 2 257.290 -1.380 20 0 CAADLO C[C@H]1C[N@@H+](CC(=O)N2CCNC2=O)C[C@@H](CO)O1 ZINC000230014780 533908856 /nfs/dbraw/zinc/90/88/56/533908856.db2.gz PUFBHXYSYAOXQJ-IUCAKERBSA-N 1 2 257.290 -1.380 20 0 CAADLO C[C@@H](CNC(=O)C[C@@H]1NC(=O)NC1=O)[NH+]1CCN(C)CC1 ZINC001292967191 782159629 /nfs/dbraw/zinc/15/96/29/782159629.db2.gz VMRRGJCHKCMSAD-UWVGGRQHSA-N 1 2 297.359 -1.663 20 0 CAADLO C[C@H](CNC(=O)C[C@@H]1NC(=O)NC1=O)[NH+]1CCN(C)CC1 ZINC001292967194 782159666 /nfs/dbraw/zinc/15/96/66/782159666.db2.gz VMRRGJCHKCMSAD-ZJUUUORDSA-N 1 2 297.359 -1.663 20 0 CAADLO COC(=O)N1CC[NH+](CCN2C(=O)CNC2=O)CC1 ZINC000491224328 534001441 /nfs/dbraw/zinc/00/14/41/534001441.db2.gz CYKLLCSPKXRYNO-UHFFFAOYSA-N 1 2 270.289 -1.078 20 0 CAADLO COC(=O)NCC(=O)NCCC[N@@H+]1CCNC(=O)C1 ZINC000494031867 534034284 /nfs/dbraw/zinc/03/42/84/534034284.db2.gz GLPDWHCYUXVRIH-UHFFFAOYSA-N 1 2 272.305 -1.720 20 0 CAADLO COC(=O)NCC(=O)NCCC[N@H+]1CCNC(=O)C1 ZINC000494031867 534034291 /nfs/dbraw/zinc/03/42/91/534034291.db2.gz GLPDWHCYUXVRIH-UHFFFAOYSA-N 1 2 272.305 -1.720 20 0 CAADLO COC(=O)NCCC(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000178630631 534067129 /nfs/dbraw/zinc/06/71/29/534067129.db2.gz SOVLNIWZAQLPPQ-SNVBAGLBSA-N 1 2 270.333 -1.152 20 0 CAADLO C[C@H](O)C[N@H+](C)CC(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000156288018 534070712 /nfs/dbraw/zinc/07/07/12/534070712.db2.gz FIEYAALVAMZDCK-ZETCQYMHSA-N 1 2 284.316 -1.839 20 0 CAADLO C[C@H](O)C[N@@H+](C)CC(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000156288018 534070722 /nfs/dbraw/zinc/07/07/22/534070722.db2.gz FIEYAALVAMZDCK-ZETCQYMHSA-N 1 2 284.316 -1.839 20 0 CAADLO COC(=O)NCCC(=O)N[C@H](CO)C[NH+]1CCOCC1 ZINC000495612665 534075997 /nfs/dbraw/zinc/07/59/97/534075997.db2.gz NOPVRFRFIXGQIN-JTQLQIEISA-N 1 2 289.332 -1.458 20 0 CAADLO COC(=O)N[C@@H](C)C(=O)NCCC[N@@H+]1CCNC(=O)C1 ZINC000494035468 534150702 /nfs/dbraw/zinc/15/07/02/534150702.db2.gz YSGVQFAICVVHRR-VIFPVBQESA-N 1 2 286.332 -1.331 20 0 CAADLO COC(=O)N[C@@H](C)C(=O)NCCC[N@H+]1CCNC(=O)C1 ZINC000494035468 534150709 /nfs/dbraw/zinc/15/07/09/534150709.db2.gz YSGVQFAICVVHRR-VIFPVBQESA-N 1 2 286.332 -1.331 20 0 CAADLO COC(=O)N[C@@H](C)C(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000494300804 534154204 /nfs/dbraw/zinc/15/42/04/534154204.db2.gz WRDAHDARFJGVQE-UWVGGRQHSA-N 1 2 270.333 -1.153 20 0 CAADLO COC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C[NH+]1CCOCC1 ZINC000495745243 534156387 /nfs/dbraw/zinc/15/63/87/534156387.db2.gz JXRUFXUIMQVXAA-VHSXEESVSA-N 1 2 289.332 -1.460 20 0 CAADLO COC(=O)[C@@H](C)CC(=O)N[C@H](CO)C[NH+]1CCOCC1 ZINC000425290687 534206291 /nfs/dbraw/zinc/20/62/91/534206291.db2.gz PEUSSCHWEHDPPR-QWRGUYRKSA-N 1 2 288.344 -1.005 20 0 CAADLO C[C@@H](C[S@@](C)=O)[N@H+](C)CC(=O)N1CCNC(=O)C1 ZINC000185105111 534214772 /nfs/dbraw/zinc/21/47/72/534214772.db2.gz RLQYUNPAXVAZIA-NIVTXAMTSA-N 1 2 275.374 -1.356 20 0 CAADLO C[C@@H](C[S@@](C)=O)[N@@H+](C)CC(=O)N1CCNC(=O)C1 ZINC000185105111 534214777 /nfs/dbraw/zinc/21/47/77/534214777.db2.gz RLQYUNPAXVAZIA-NIVTXAMTSA-N 1 2 275.374 -1.356 20 0 CAADLO C[C@@H](C[S@](C)=O)[N@H+](C)CC(=O)N1CCNC(=O)C1 ZINC000185105079 534222428 /nfs/dbraw/zinc/22/24/28/534222428.db2.gz RLQYUNPAXVAZIA-YYSFKGJASA-N 1 2 275.374 -1.356 20 0 CAADLO C[C@@H](C[S@](C)=O)[N@@H+](C)CC(=O)N1CCNC(=O)C1 ZINC000185105079 534222432 /nfs/dbraw/zinc/22/24/32/534222432.db2.gz RLQYUNPAXVAZIA-YYSFKGJASA-N 1 2 275.374 -1.356 20 0 CAADLO COC(=O)[C@@H](NC(=O)C[N@@H+]1CCOC[C@H](O)C1)C(C)C ZINC000451233768 534270708 /nfs/dbraw/zinc/27/07/08/534270708.db2.gz IVFMNEQJFGQGLX-PWSUYJOCSA-N 1 2 288.344 -1.007 20 0 CAADLO COC(=O)[C@@H](NC(=O)C[N@H+]1CCOC[C@H](O)C1)C(C)C ZINC000451233768 534270711 /nfs/dbraw/zinc/27/07/11/534270711.db2.gz IVFMNEQJFGQGLX-PWSUYJOCSA-N 1 2 288.344 -1.007 20 0 CAADLO COC(=O)c1cccc(NC(=O)C[N@H+]2C[C@@H](O)[C@@H](O)C2)n1 ZINC000444694011 534271906 /nfs/dbraw/zinc/27/19/06/534271906.db2.gz PLUJATFKNWQRNC-AOOOYVTPSA-N 1 2 295.295 -1.156 20 0 CAADLO COC(=O)c1cccc(NC(=O)C[N@@H+]2C[C@@H](O)[C@@H](O)C2)n1 ZINC000444694011 534271907 /nfs/dbraw/zinc/27/19/07/534271907.db2.gz PLUJATFKNWQRNC-AOOOYVTPSA-N 1 2 295.295 -1.156 20 0 CAADLO C[C@H](C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1)n1cncn1 ZINC000332549120 534291772 /nfs/dbraw/zinc/29/17/72/534291772.db2.gz FFULORDTUCQOKQ-NEPJUHHUSA-N 1 2 297.359 -1.009 20 0 CAADLO C[C@H](C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1)n1cncn1 ZINC000332549123 534291158 /nfs/dbraw/zinc/29/11/58/534291158.db2.gz FFULORDTUCQOKQ-VXGBXAGGSA-N 1 2 297.359 -1.009 20 0 CAADLO C[C@H](C(=O)N[C@H]1CN(C)NC1=O)[NH+]1CCSCC1 ZINC000450611188 534295278 /nfs/dbraw/zinc/29/52/78/534295278.db2.gz OPWDTLJGJKDDBM-BDAKNGLRSA-N 1 2 272.374 -1.115 20 0 CAADLO C[C@@H]1CN(C(=O)C[N@H+]2C[C@@H](O)[C@@H](O)C2)C[C@H](C)O1 ZINC000093092080 534304446 /nfs/dbraw/zinc/30/44/46/534304446.db2.gz GIDXKLUXIGCUEY-DTIDVZRVSA-N 1 2 258.318 -1.340 20 0 CAADLO C[C@@H]1CN(C(=O)C[N@@H+]2C[C@@H](O)[C@@H](O)C2)C[C@H](C)O1 ZINC000093092080 534304447 /nfs/dbraw/zinc/30/44/47/534304447.db2.gz GIDXKLUXIGCUEY-DTIDVZRVSA-N 1 2 258.318 -1.340 20 0 CAADLO NC(=O)C[NH+]1CCN(c2ccnc(C(N)=O)c2)CC1 ZINC000131237421 534328946 /nfs/dbraw/zinc/32/89/46/534328946.db2.gz JTEKJVYLPRKUDO-UHFFFAOYSA-N 1 2 263.301 -1.212 20 0 CAADLO CC(C)(C(=O)NC[C@@](C)(O)CO)[NH+]1CCOCC1 ZINC000338630487 518525459 /nfs/dbraw/zinc/52/54/59/518525459.db2.gz XKEMPCMZFORKMR-GFCCVEGCSA-N 1 2 260.334 -1.043 20 0 CAADLO CC(C)(C(=O)NC[C@](C)(O)CO)[NH+]1CCOCC1 ZINC000338630488 518527781 /nfs/dbraw/zinc/52/77/81/518527781.db2.gz XKEMPCMZFORKMR-LBPRGKRZSA-N 1 2 260.334 -1.043 20 0 CAADLO Cn1nncc1S(=O)(=O)NCCC[NH+]1CCOCC1 ZINC000440052353 534366552 /nfs/dbraw/zinc/36/65/52/534366552.db2.gz OSUPNNKCKRNDJW-UHFFFAOYSA-N 1 2 289.361 -1.184 20 0 CAADLO NC(=O)Cn1cc(C(=O)NC[C@@H]2C[NH+]3CCN2CC3)nn1 ZINC000178725408 534369068 /nfs/dbraw/zinc/36/90/68/534369068.db2.gz AIJNALSQEFOYAY-SECBINFHSA-N 1 2 293.331 -2.507 20 0 CAADLO NC(=O)NC(=O)CC[NH+]1CCN(S(N)(=O)=O)CC1 ZINC000347118259 534383268 /nfs/dbraw/zinc/38/32/68/534383268.db2.gz AJIFEKMATAYHHT-UHFFFAOYSA-N 1 2 279.322 -2.608 20 0 CAADLO Cc1nc(C[NH+]2CCC(CO)(NC(=O)C(N)=O)CC2)co1 ZINC001274924520 782162045 /nfs/dbraw/zinc/16/20/45/782162045.db2.gz SCTQASXALJZXNB-UHFFFAOYSA-N 1 2 296.327 -1.089 20 0 CAADLO CC(C)C(=O)NCC[N@@H+](C)CC(=O)N1CCNC(=O)C1 ZINC000157474662 519489134 /nfs/dbraw/zinc/48/91/34/519489134.db2.gz WVFXTPDSUAMOLV-UHFFFAOYSA-N 1 2 284.360 -1.351 20 0 CAADLO CC(C)C(=O)NCC[N@H+](C)CC(=O)N1CCNC(=O)C1 ZINC000157474662 519489129 /nfs/dbraw/zinc/48/91/29/519489129.db2.gz WVFXTPDSUAMOLV-UHFFFAOYSA-N 1 2 284.360 -1.351 20 0 CAADLO CC(C)C(=O)N[C@@H](CO)C(=O)NCC[NH+]1CCOCC1 ZINC000341055422 519508660 /nfs/dbraw/zinc/50/86/60/519508660.db2.gz OHOYLMOBJMKAOC-NSHDSACASA-N 1 2 287.360 -1.432 20 0 CAADLO CC(C)Nc1nc(NCCO)[nH+]c(NCC[C@H](C)O)n1 ZINC000340021083 519699435 /nfs/dbraw/zinc/69/94/35/519699435.db2.gz ZPKJGCFCPDJSDH-VIFPVBQESA-N 1 2 284.364 -1.455 20 0 CAADLO CC(C)Nc1nc(NCCO)nc(NCC[C@H](C)O)[nH+]1 ZINC000340021083 519699439 /nfs/dbraw/zinc/69/94/39/519699439.db2.gz ZPKJGCFCPDJSDH-VIFPVBQESA-N 1 2 284.364 -1.455 20 0 CAADLO CC(C)Nc1nc(NCC[C@H](C)O)nc(NCCO)[nH+]1 ZINC000340021083 519699442 /nfs/dbraw/zinc/69/94/42/519699442.db2.gz ZPKJGCFCPDJSDH-VIFPVBQESA-N 1 2 284.364 -1.455 20 0 CAADLO CC(C)Nc1nc(N2CC[C@@H](O)C2)nc(NCCO)[nH+]1 ZINC000340021478 519699663 /nfs/dbraw/zinc/69/96/63/519699663.db2.gz IJWMUQKMUNUASV-SECBINFHSA-N 1 2 282.348 -1.489 20 0 CAADLO CC(C)Nc1nc(NCCO)[nH+]c(N2CC[C@@H](O)C2)n1 ZINC000340021478 519699665 /nfs/dbraw/zinc/69/96/65/519699665.db2.gz IJWMUQKMUNUASV-SECBINFHSA-N 1 2 282.348 -1.489 20 0 CAADLO CC(C)Nc1nc(NCCO)nc(N2CC[C@@H](O)C2)[nH+]1 ZINC000340021478 519699666 /nfs/dbraw/zinc/69/96/66/519699666.db2.gz IJWMUQKMUNUASV-SECBINFHSA-N 1 2 282.348 -1.489 20 0 CAADLO CC(C)Nc1nc(NCCO)[nH+]c(NCC2(O)CCC2)n1 ZINC000340017412 519699703 /nfs/dbraw/zinc/69/97/03/519699703.db2.gz XNJUAPYFNZYYIR-UHFFFAOYSA-N 1 2 296.375 -1.311 20 0 CAADLO CC(C)Nc1nc(NCC2(O)CCC2)nc(NCCO)[nH+]1 ZINC000340017412 519699707 /nfs/dbraw/zinc/69/97/07/519699707.db2.gz XNJUAPYFNZYYIR-UHFFFAOYSA-N 1 2 296.375 -1.311 20 0 CAADLO CC(C)Nc1nc(NCCO)nc(NCC2(O)CCC2)[nH+]1 ZINC000340017412 519699710 /nfs/dbraw/zinc/69/97/10/519699710.db2.gz XNJUAPYFNZYYIR-UHFFFAOYSA-N 1 2 296.375 -1.311 20 0 CAADLO CC(C)NC(=O)C[N@H+](C)CC(=O)NC[C@@](C)(O)CO ZINC000338623993 519705354 /nfs/dbraw/zinc/70/53/54/519705354.db2.gz OCHABSWCEVOROF-GFCCVEGCSA-N 1 2 275.349 -1.698 20 0 CAADLO CC(C)NC(=O)C[N@@H+](C)CC(=O)NC[C@@](C)(O)CO ZINC000338623993 519705356 /nfs/dbraw/zinc/70/53/56/519705356.db2.gz OCHABSWCEVOROF-GFCCVEGCSA-N 1 2 275.349 -1.698 20 0 CAADLO CCOCCNC(=O)C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000340025718 519934954 /nfs/dbraw/zinc/93/49/54/519934954.db2.gz MHQBLRNVZHPKBV-NSHDSACASA-N 1 2 287.360 -1.024 20 0 CAADLO NC(=O)[C@H]1CC[C@@H](CNC(=O)CN2CC[NH2+]CC2=O)O1 ZINC000430854999 534458261 /nfs/dbraw/zinc/45/82/61/534458261.db2.gz PNWQRBJIZZCERJ-DTWKUNHWSA-N 1 2 284.316 -2.433 20 0 CAADLO NC(=O)[C@]1(O)CCN(C(=O)C2([NH+]3CCOCC3)CCC2)C1 ZINC000355055189 534466365 /nfs/dbraw/zinc/46/63/65/534466365.db2.gz ALKNAYIJHHEPMK-AWEZNQCLSA-N 1 2 297.355 -1.310 20 0 CAADLO CCN(C)C(=O)CNC(=O)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000340651140 520153664 /nfs/dbraw/zinc/15/36/64/520153664.db2.gz OQCXFFKUQMODCA-SNVBAGLBSA-N 1 2 295.343 -1.018 20 0 CAADLO NC(=O)c1ccc(C(=O)NC[C@@H]2C[NH+]3CCN2CC3)cn1 ZINC000178969675 534478744 /nfs/dbraw/zinc/47/87/44/534478744.db2.gz BVHHIGNLWSIMOJ-LLVKDONJSA-N 1 2 289.339 -1.090 20 0 CAADLO NC(=O)c1ccc(C(=O)NC[C@H]2C[NH+]3CCN2CC3)nc1 ZINC000178787988 534478765 /nfs/dbraw/zinc/47/87/65/534478765.db2.gz HDECSCCXJUCENA-NSHDSACASA-N 1 2 289.339 -1.090 20 0 CAADLO CCOC(=O)CN(C)C(=O)C[N@H+](C)CC(=O)NC ZINC000265391686 520734673 /nfs/dbraw/zinc/73/46/73/520734673.db2.gz NFVWQMOVUREOPS-UHFFFAOYSA-N 1 2 259.306 -1.314 20 0 CAADLO CCOC(=O)CN(C)C(=O)C[N@@H+](C)CC(=O)NC ZINC000265391686 520734683 /nfs/dbraw/zinc/73/46/83/520734683.db2.gz NFVWQMOVUREOPS-UHFFFAOYSA-N 1 2 259.306 -1.314 20 0 CAADLO CCOC(=O)CN(C)C(=O)C[N@@H+]1CCNC(=O)CC1 ZINC000264757135 520736532 /nfs/dbraw/zinc/73/65/32/520736532.db2.gz XZUYTAHKKNTDLA-UHFFFAOYSA-N 1 2 271.317 -1.170 20 0 CAADLO CCOC(=O)CN(C)C(=O)C[N@H+]1CCNC(=O)CC1 ZINC000264757135 520736539 /nfs/dbraw/zinc/73/65/39/520736539.db2.gz XZUYTAHKKNTDLA-UHFFFAOYSA-N 1 2 271.317 -1.170 20 0 CAADLO CCOC(=O)C[C@@H](O)C(=O)NCC[NH+]1CCOCC1 ZINC000339237514 520848958 /nfs/dbraw/zinc/84/89/58/520848958.db2.gz SIOVEUAPFJIDIL-SNVBAGLBSA-N 1 2 274.317 -1.251 20 0 CAADLO NC(=O)c1ncccc1C(=O)N1CC[NH+](CCO)CC1 ZINC000358622503 534528440 /nfs/dbraw/zinc/52/84/40/534528440.db2.gz BGXZMNZBTHMUPW-UHFFFAOYSA-N 1 2 278.312 -1.069 20 0 CAADLO CC[N@H+](CCOC)CC(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000299131438 521133687 /nfs/dbraw/zinc/13/36/87/521133687.db2.gz LWOOZQDHAIPWTM-UHFFFAOYSA-N 1 2 298.343 -1.183 20 0 CAADLO CC[N@@H+](CCOC)CC(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000299131438 521133693 /nfs/dbraw/zinc/13/36/93/521133693.db2.gz LWOOZQDHAIPWTM-UHFFFAOYSA-N 1 2 298.343 -1.183 20 0 CAADLO O=C(C[N@@H+]1C[C@@H](O)[C@@H](O)C1)NC(=O)NCC(F)(F)F ZINC000444707893 534555731 /nfs/dbraw/zinc/55/57/31/534555731.db2.gz PWEHPQWFYMJKCU-OLQVQODUSA-N 1 2 285.222 -1.588 20 0 CAADLO O=C(C[N@H+]1C[C@@H](O)[C@@H](O)C1)NC(=O)NCC(F)(F)F ZINC000444707893 534555733 /nfs/dbraw/zinc/55/57/33/534555733.db2.gz PWEHPQWFYMJKCU-OLQVQODUSA-N 1 2 285.222 -1.588 20 0 CAADLO CCS(=O)(=O)NCC[N@H+](C)CC(=O)N(C)C ZINC000068785245 521676786 /nfs/dbraw/zinc/67/67/86/521676786.db2.gz AUWNWADLQBWLMH-UHFFFAOYSA-N 1 2 251.352 -1.054 20 0 CAADLO CCS(=O)(=O)NCC[N@@H+](C)CC(=O)N(C)C ZINC000068785245 521676788 /nfs/dbraw/zinc/67/67/88/521676788.db2.gz AUWNWADLQBWLMH-UHFFFAOYSA-N 1 2 251.352 -1.054 20 0 CAADLO [NH3+]CC(F)(F)CNS(=O)(=O)N1CCOCC1 ZINC000164915415 534583266 /nfs/dbraw/zinc/58/32/66/534583266.db2.gz PBSJIQPBYKEUKF-UHFFFAOYSA-N 1 2 259.278 -1.253 20 0 CAADLO CCNC(=O)CNC(=O)NCC[NH+]1CCOCC1 ZINC000339345519 521737747 /nfs/dbraw/zinc/73/77/47/521737747.db2.gz GUAGKLDTWMWMQS-UHFFFAOYSA-N 1 2 258.322 -1.246 20 0 CAADLO COCC[C@H](CO)NC(=O)C[N@H+](C)CC(=O)NC(C)C ZINC000357684797 521928349 /nfs/dbraw/zinc/92/83/49/521928349.db2.gz FYTPFFWSUUSLHH-LLVKDONJSA-N 1 2 289.376 -1.044 20 0 CAADLO COCC[C@H](CO)NC(=O)C[N@@H+](C)CC(=O)NC(C)C ZINC000357684797 521928359 /nfs/dbraw/zinc/92/83/59/521928359.db2.gz FYTPFFWSUUSLHH-LLVKDONJSA-N 1 2 289.376 -1.044 20 0 CAADLO COC[C@@H](C(N)=O)[N@H+](C)CCN1CCCS1(=O)=O ZINC000339359428 522163981 /nfs/dbraw/zinc/16/39/81/522163981.db2.gz JEBUOTLUJNVHJA-VIFPVBQESA-N 1 2 279.362 -1.546 20 0 CAADLO COC[C@@H](C(N)=O)[N@@H+](C)CCN1CCCS1(=O)=O ZINC000339359428 522163989 /nfs/dbraw/zinc/16/39/89/522163989.db2.gz JEBUOTLUJNVHJA-VIFPVBQESA-N 1 2 279.362 -1.546 20 0 CAADLO COC[C@@H](C(N)=O)[N@H+](C)CCn1nc2ccccn2c1=O ZINC000339367329 522161780 /nfs/dbraw/zinc/16/17/80/522161780.db2.gz RFNRFQUNOMIJNK-JTQLQIEISA-N 1 2 293.327 -1.072 20 0 CAADLO COC[C@@H](C(N)=O)[N@@H+](C)CCn1nc2ccccn2c1=O ZINC000339367329 522161787 /nfs/dbraw/zinc/16/17/87/522161787.db2.gz RFNRFQUNOMIJNK-JTQLQIEISA-N 1 2 293.327 -1.072 20 0 CAADLO CNS(=O)(=O)NCC(=O)NCC[NH+]1CCOCC1 ZINC000062433859 522221922 /nfs/dbraw/zinc/22/19/22/522221922.db2.gz OUZKMQNEJHNRAF-UHFFFAOYSA-N 1 2 280.350 -2.511 20 0 CAADLO COC[C@@H](O)CNC(=O)C[N@H+](C)CC(=O)NC(C)C ZINC000338678349 522408196 /nfs/dbraw/zinc/40/81/96/522408196.db2.gz DWSLTEHVSHPOGH-JTQLQIEISA-N 1 2 275.349 -1.434 20 0 CAADLO COC[C@@H](O)CNC(=O)C[N@@H+](C)CC(=O)NC(C)C ZINC000338678349 522408199 /nfs/dbraw/zinc/40/81/99/522408199.db2.gz DWSLTEHVSHPOGH-JTQLQIEISA-N 1 2 275.349 -1.434 20 0 CAADLO COC[C@@H](O)CNS(=O)(=O)CCC[NH+]1CCOCC1 ZINC000338422045 522421658 /nfs/dbraw/zinc/42/16/58/522421658.db2.gz ICGURRXDRRYJMU-NSHDSACASA-N 1 2 296.389 -1.365 20 0 CAADLO CN1CC[C@@H]([N@H+](C)CC(=O)N2CCNC(=O)C2)C1=O ZINC000265653436 522440661 /nfs/dbraw/zinc/44/06/61/522440661.db2.gz PBZPZNSEJUPCHN-SECBINFHSA-N 1 2 268.317 -1.893 20 0 CAADLO CN1CC[C@@H]([N@@H+](C)CC(=O)N2CCNC(=O)C2)C1=O ZINC000265653436 522440669 /nfs/dbraw/zinc/44/06/69/522440669.db2.gz PBZPZNSEJUPCHN-SECBINFHSA-N 1 2 268.317 -1.893 20 0 CAADLO C[N@H+](CC(N)=O)CC(=O)NC(=O)NCC(F)(F)F ZINC000049237193 522589869 /nfs/dbraw/zinc/58/98/69/522589869.db2.gz OLYLIYJACHGIKF-UHFFFAOYSA-N 1 2 270.211 -1.208 20 0 CAADLO C[N@@H+](CC(N)=O)CC(=O)NC(=O)NCC(F)(F)F ZINC000049237193 522589877 /nfs/dbraw/zinc/58/98/77/522589877.db2.gz OLYLIYJACHGIKF-UHFFFAOYSA-N 1 2 270.211 -1.208 20 0 CAADLO CN(CC(N)=O)c1cc(N2CCN(C)C(=O)C2)nc[nH+]1 ZINC000277588652 522590147 /nfs/dbraw/zinc/59/01/47/522590147.db2.gz TZAZVEZQANZHBE-UHFFFAOYSA-N 1 2 278.316 -1.324 20 0 CAADLO CN(CC(N)=O)c1cc(N2CCN(C)C(=O)C2)[nH+]cn1 ZINC000277588652 522590158 /nfs/dbraw/zinc/59/01/58/522590158.db2.gz TZAZVEZQANZHBE-UHFFFAOYSA-N 1 2 278.316 -1.324 20 0 CAADLO COC[C@H](CO)NC(=O)C[N@H+](C)CC(=O)NC(C)C ZINC000357555786 522682583 /nfs/dbraw/zinc/68/25/83/522682583.db2.gz XPDRNQRIOGUOKD-JTQLQIEISA-N 1 2 275.349 -1.434 20 0 CAADLO COC[C@H](CO)NC(=O)C[N@@H+](C)CC(=O)NC(C)C ZINC000357555786 522682591 /nfs/dbraw/zinc/68/25/91/522682591.db2.gz XPDRNQRIOGUOKD-JTQLQIEISA-N 1 2 275.349 -1.434 20 0 CAADLO CN(CCO)C(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000340039112 522876118 /nfs/dbraw/zinc/87/61/18/522876118.db2.gz LJIFBKWAIJPAEK-LBPRGKRZSA-N 1 2 299.371 -1.382 20 0 CAADLO CN(CCO)C(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000340039111 522876587 /nfs/dbraw/zinc/87/65/87/522876587.db2.gz LJIFBKWAIJPAEK-GFCCVEGCSA-N 1 2 299.371 -1.382 20 0 CAADLO Cn1c(=O)ccn(CC(=O)NCCCn2cc[nH+]c2)c1=O ZINC000041749675 534671760 /nfs/dbraw/zinc/67/17/60/534671760.db2.gz JDTBQKAJGXFVFA-UHFFFAOYSA-N 1 2 291.311 -1.050 20 0 CAADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NCC1CC1 ZINC000339932845 523016060 /nfs/dbraw/zinc/01/60/60/523016060.db2.gz XJXXUCAKRJJNHF-GFCCVEGCSA-N 1 2 299.371 -1.336 20 0 CAADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)CCn1ccnn1 ZINC000338407186 523090679 /nfs/dbraw/zinc/09/06/79/523090679.db2.gz HBGMWOBVECMBCS-LBPRGKRZSA-N 1 2 297.359 -1.180 20 0 CAADLO O=C(C[C@H]1CCCC(=O)N1)N[C@@H](CO)C[NH+]1CCOCC1 ZINC000425291098 534689538 /nfs/dbraw/zinc/68/95/38/534689538.db2.gz HXRQLQAPDKLGBK-VXGBXAGGSA-N 1 2 299.371 -1.146 20 0 CAADLO O=C(C[C@H]1CCCC(=O)N1)N[C@H](CO)C[NH+]1CCOCC1 ZINC000425291093 534689725 /nfs/dbraw/zinc/68/97/25/534689725.db2.gz HXRQLQAPDKLGBK-NEPJUHHUSA-N 1 2 299.371 -1.146 20 0 CAADLO CCn1c(N)c(C(=O)C[N@H+](C)C[C@@H](C)O)c(=O)[nH]c1=O ZINC000156326053 523208811 /nfs/dbraw/zinc/20/88/11/523208811.db2.gz ZJTUCRZMPDETRU-SSDOTTSWSA-N 1 2 284.316 -1.366 20 0 CAADLO CCn1c(N)c(C(=O)C[N@@H+](C)C[C@@H](C)O)c(=O)[nH]c1=O ZINC000156326053 523208818 /nfs/dbraw/zinc/20/88/18/523208818.db2.gz ZJTUCRZMPDETRU-SSDOTTSWSA-N 1 2 284.316 -1.366 20 0 CAADLO NS(=O)(=O)[C@@H]1CC[N@H+](CC(=O)NCC2CC2)C1 ZINC000331658279 534699640 /nfs/dbraw/zinc/69/96/40/534699640.db2.gz LWLIHLBYBSJKBU-SECBINFHSA-N 1 2 261.347 -1.125 20 0 CAADLO NS(=O)(=O)[C@@H]1CC[N@@H+](CC(=O)NCC2CC2)C1 ZINC000331658279 534699643 /nfs/dbraw/zinc/69/96/43/534699643.db2.gz LWLIHLBYBSJKBU-SECBINFHSA-N 1 2 261.347 -1.125 20 0 CAADLO CC[C@](C)(O)CNc1nc(NC(C)C)nc(NCCO)[nH+]1 ZINC000340015759 523495197 /nfs/dbraw/zinc/49/51/97/523495197.db2.gz XRSYBNRXPDNGJG-ZDUSSCGKSA-N 1 2 298.391 -1.065 20 0 CAADLO CC[C@](C)(O)CNc1nc(NCCO)[nH+]c(NC(C)C)n1 ZINC000340015759 523495212 /nfs/dbraw/zinc/49/52/12/523495212.db2.gz XRSYBNRXPDNGJG-ZDUSSCGKSA-N 1 2 298.391 -1.065 20 0 CAADLO CC[C@](C)(O)CNc1nc(NCCO)nc(NC(C)C)[nH+]1 ZINC000340015759 523495217 /nfs/dbraw/zinc/49/52/17/523495217.db2.gz XRSYBNRXPDNGJG-ZDUSSCGKSA-N 1 2 298.391 -1.065 20 0 CAADLO COCC[N@H+](C)CCNC(=O)CS(C)(=O)=O ZINC000339249956 523587822 /nfs/dbraw/zinc/58/78/22/523587822.db2.gz RBXIPFHQAUSBFP-UHFFFAOYSA-N 1 2 252.336 -1.275 20 0 CAADLO COCC[N@@H+](C)CCNC(=O)CS(C)(=O)=O ZINC000339249956 523587830 /nfs/dbraw/zinc/58/78/30/523587830.db2.gz RBXIPFHQAUSBFP-UHFFFAOYSA-N 1 2 252.336 -1.275 20 0 CAADLO CC[C@@](C)(O)CNc1nc(NC(C)C)nc(NCCO)[nH+]1 ZINC000340015757 523662906 /nfs/dbraw/zinc/66/29/06/523662906.db2.gz XRSYBNRXPDNGJG-CYBMUJFWSA-N 1 2 298.391 -1.065 20 0 CAADLO CC[C@@](C)(O)CNc1nc(NCCO)[nH+]c(NC(C)C)n1 ZINC000340015757 523662914 /nfs/dbraw/zinc/66/29/14/523662914.db2.gz XRSYBNRXPDNGJG-CYBMUJFWSA-N 1 2 298.391 -1.065 20 0 CAADLO CC[C@@](C)(O)CNc1nc(NCCO)nc(NC(C)C)[nH+]1 ZINC000340015757 523662922 /nfs/dbraw/zinc/66/29/22/523662922.db2.gz XRSYBNRXPDNGJG-CYBMUJFWSA-N 1 2 298.391 -1.065 20 0 CAADLO COCC[N@H+](CCC(=O)NCC(=O)OC)CC(=O)OC ZINC000265136921 523692093 /nfs/dbraw/zinc/69/20/93/523692093.db2.gz KRGHUALIXXENPY-UHFFFAOYSA-N 1 2 290.316 -1.213 20 0 CAADLO COCC[N@@H+](CCC(=O)NCC(=O)OC)CC(=O)OC ZINC000265136921 523692102 /nfs/dbraw/zinc/69/21/02/523692102.db2.gz KRGHUALIXXENPY-UHFFFAOYSA-N 1 2 290.316 -1.213 20 0 CAADLO COCC[N@H+](CCNS(C)(=O)=O)[C@H](C)C(N)=O ZINC000337229198 523700538 /nfs/dbraw/zinc/70/05/38/523700538.db2.gz URYVCBKHABVAIT-MRVPVSSYSA-N 1 2 267.351 -1.642 20 0 CAADLO COCC[N@@H+](CCNS(C)(=O)=O)[C@H](C)C(N)=O ZINC000337229198 523700544 /nfs/dbraw/zinc/70/05/44/523700544.db2.gz URYVCBKHABVAIT-MRVPVSSYSA-N 1 2 267.351 -1.642 20 0 CAADLO COC(=O)[C@@H]1C[C@@H]1C(=O)N[C@H](CO)C[NH+]1CCOCC1 ZINC000339213036 523781137 /nfs/dbraw/zinc/78/11/37/523781137.db2.gz OCXVWFZGPYEBPP-GARJFASQSA-N 1 2 286.328 -1.395 20 0 CAADLO COCC[NH+]1CCN(C(=O)C(=O)NC[C@H]2CCOC2)CC1 ZINC000339337552 523836552 /nfs/dbraw/zinc/83/65/52/523836552.db2.gz FYZRRUFLFOANOJ-GFCCVEGCSA-N 1 2 299.371 -1.070 20 0 CAADLO COCC[NH+]1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000338395229 523859427 /nfs/dbraw/zinc/85/94/27/523859427.db2.gz IEKQPCWGZCJHMZ-UHFFFAOYSA-N 1 2 293.389 -1.173 20 0 CAADLO C[NH+]1CCN(C(=O)C(=O)N2CCNC(=O)C2)CC1 ZINC000297678046 523865927 /nfs/dbraw/zinc/86/59/27/523865927.db2.gz AIQDKDKCCPTRKE-UHFFFAOYSA-N 1 2 254.290 -2.281 20 0 CAADLO COCCNC(=O)C[NH+]1CCN(Cc2ncnn2C)CC1 ZINC000157471680 523893234 /nfs/dbraw/zinc/89/32/34/523893234.db2.gz MFQRPXHZEZCGTG-UHFFFAOYSA-N 1 2 296.375 -1.305 20 0 CAADLO CC[C@H](C)[NH+](CC(=O)NC(N)=O)CC(=O)NC(N)=O ZINC000047549373 523927333 /nfs/dbraw/zinc/92/73/33/523927333.db2.gz GPNXEZAXDCGJTG-LURJTMIESA-N 1 2 273.293 -1.523 20 0 CAADLO CN1CCO[C@@H]2C[N@H+](CC(=O)N3CCNC(=O)C3)C[C@@H]21 ZINC000121151434 523942554 /nfs/dbraw/zinc/94/25/54/523942554.db2.gz XNAHXYVMWMEEIS-WDEREUQCSA-N 1 2 282.344 -2.040 20 0 CAADLO CN1CCO[C@@H]2C[N@@H+](CC(=O)N3CCNC(=O)C3)C[C@@H]21 ZINC000121151434 523942560 /nfs/dbraw/zinc/94/25/60/523942560.db2.gz XNAHXYVMWMEEIS-WDEREUQCSA-N 1 2 282.344 -2.040 20 0 CAADLO C[N@@H+]1CCO[C@@H]2CN(CC(=O)N3CCNC(=O)C3)C[C@@H]21 ZINC000121151434 523942566 /nfs/dbraw/zinc/94/25/66/523942566.db2.gz XNAHXYVMWMEEIS-WDEREUQCSA-N 1 2 282.344 -2.040 20 0 CAADLO C[N@H+]1CCO[C@@H]2CN(CC(=O)N3CCNC(=O)C3)C[C@@H]21 ZINC000121151434 523942574 /nfs/dbraw/zinc/94/25/74/523942574.db2.gz XNAHXYVMWMEEIS-WDEREUQCSA-N 1 2 282.344 -2.040 20 0 CAADLO CN1CCO[C@@H]2C[N@H+](CC(=O)NC(=O)NC3CC3)C[C@@H]21 ZINC000121098893 523942770 /nfs/dbraw/zinc/94/27/70/523942770.db2.gz ZHVKNHVVYKCIQS-WDEREUQCSA-N 1 2 282.344 -1.011 20 0 CAADLO CN1CCO[C@@H]2C[N@@H+](CC(=O)NC(=O)NC3CC3)C[C@@H]21 ZINC000121098893 523942777 /nfs/dbraw/zinc/94/27/77/523942777.db2.gz ZHVKNHVVYKCIQS-WDEREUQCSA-N 1 2 282.344 -1.011 20 0 CAADLO C[N@@H+]1CCO[C@@H]2CN(CC(=O)NC(=O)NC3CC3)C[C@@H]21 ZINC000121098893 523942782 /nfs/dbraw/zinc/94/27/82/523942782.db2.gz ZHVKNHVVYKCIQS-WDEREUQCSA-N 1 2 282.344 -1.011 20 0 CAADLO C[N@H+]1CCO[C@@H]2CN(CC(=O)NC(=O)NC3CC3)C[C@@H]21 ZINC000121098893 523942786 /nfs/dbraw/zinc/94/27/86/523942786.db2.gz ZHVKNHVVYKCIQS-WDEREUQCSA-N 1 2 282.344 -1.011 20 0 CAADLO COC(=O)[C@H]1C[N@H+](CCN2CCNC2=O)CCO1 ZINC000157197540 523974480 /nfs/dbraw/zinc/97/44/80/523974480.db2.gz HGZRIUOQFAUREA-SECBINFHSA-N 1 2 257.290 -1.115 20 0 CAADLO COC(=O)[C@H]1C[N@@H+](CCN2CCNC2=O)CCO1 ZINC000157197540 523974483 /nfs/dbraw/zinc/97/44/83/523974483.db2.gz HGZRIUOQFAUREA-SECBINFHSA-N 1 2 257.290 -1.115 20 0 CAADLO CN1CC[C@H](C(=O)N[C@@H](CO)C[NH+]2CCOCC2)CC1=O ZINC000339215906 523977616 /nfs/dbraw/zinc/97/76/16/523977616.db2.gz NLYWNLSTYSJKPE-NWDGAFQWSA-N 1 2 299.371 -1.336 20 0 CAADLO CN1CC[C@H](C(=O)N[C@H](CO)C[NH+]2CCOCC2)CC1=O ZINC000339215909 523978186 /nfs/dbraw/zinc/97/81/86/523978186.db2.gz NLYWNLSTYSJKPE-RYUDHWBXSA-N 1 2 299.371 -1.336 20 0 CAADLO C[NH+](C)CC(=O)N1CCN(Cc2n[nH]c(=O)[nH]2)CC1 ZINC000340766708 524044127 /nfs/dbraw/zinc/04/41/27/524044127.db2.gz ZNBYGNJHVDRGNC-UHFFFAOYSA-N 1 2 268.321 -1.284 20 0 CAADLO CNC(=O)NCC(=O)N1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000340657774 524078571 /nfs/dbraw/zinc/07/85/71/524078571.db2.gz XISXQKXMHHWQCO-UHFFFAOYSA-N 1 2 294.359 -1.007 20 0 CAADLO C[C@@H](C(=O)NC(N)=O)[N@@H+]1CCN2C(=O)OC[C@@H]2C1 ZINC000370558830 524157403 /nfs/dbraw/zinc/15/74/03/524157403.db2.gz VDIJQKXEFZIIBZ-BQBZGAKWSA-N 1 2 256.262 -1.294 20 0 CAADLO C[C@@H](C(=O)NC(N)=O)[N@H+]1CCN2C(=O)OC[C@@H]2C1 ZINC000370558830 524157411 /nfs/dbraw/zinc/15/74/11/524157411.db2.gz VDIJQKXEFZIIBZ-BQBZGAKWSA-N 1 2 256.262 -1.294 20 0 CAADLO C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@@H+]1CC[C@@H](O)C1 ZINC000074324200 524304296 /nfs/dbraw/zinc/30/42/96/524304296.db2.gz SQFXZDSZKGZFTQ-JGVFFNPUSA-N 1 2 296.327 -1.696 20 0 CAADLO C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@H+]1CC[C@@H](O)C1 ZINC000074324200 524304301 /nfs/dbraw/zinc/30/43/01/524304301.db2.gz SQFXZDSZKGZFTQ-JGVFFNPUSA-N 1 2 296.327 -1.696 20 0 CAADLO C[C@H](C[NH+]1CCOCC1)NC(=O)C(=O)N1CCC[C@H](O)C1 ZINC000339320286 524351564 /nfs/dbraw/zinc/35/15/64/524351564.db2.gz MFVVGUFWDCBWKZ-NEPJUHHUSA-N 1 2 299.371 -1.193 20 0 CAADLO C[C@H](CNC(=O)CN1CC(=O)NC1=O)[NH+]1CCOCC1 ZINC000264669417 524381040 /nfs/dbraw/zinc/38/10/40/524381040.db2.gz IZFADKHGMRIGTC-SECBINFHSA-N 1 2 284.316 -1.625 20 0 CAADLO O=C1NC[C@H]2C[N@H+](CCOCC(F)F)CCN2C1=O ZINC000189563638 534789141 /nfs/dbraw/zinc/78/91/41/534789141.db2.gz BDEQNXHOSWASQG-QMMMGPOBSA-N 1 2 277.271 -1.089 20 0 CAADLO O=C1NC[C@H]2C[N@@H+](CCOCC(F)F)CCN2C1=O ZINC000189563638 534789146 /nfs/dbraw/zinc/78/91/46/534789146.db2.gz BDEQNXHOSWASQG-QMMMGPOBSA-N 1 2 277.271 -1.089 20 0 CAADLO Cn1ccnc1CNC(=O)CN1CC[NH2+]CC1=O ZINC000430896791 534787458 /nfs/dbraw/zinc/78/74/58/534787458.db2.gz LEUSJVANCKGEIL-UHFFFAOYSA-N 1 2 251.290 -1.532 20 0 CAADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)C(=O)N1CC(CO)C1 ZINC000340256570 524622781 /nfs/dbraw/zinc/62/27/81/524622781.db2.gz HFDIKSQSQQNUCU-JTQLQIEISA-N 1 2 285.344 -1.726 20 0 CAADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)C(=O)N1CCC[C@@H](O)C1 ZINC000339320287 524623941 /nfs/dbraw/zinc/62/39/41/524623941.db2.gz MFVVGUFWDCBWKZ-NWDGAFQWSA-N 1 2 299.371 -1.193 20 0 CAADLO C[C@H]1COCC[N@@H+]1CCNC(=O)C(=O)NC[C@@H]1CCOC1 ZINC000339340260 524718772 /nfs/dbraw/zinc/71/87/72/524718772.db2.gz GFQWZQSGLHDKCJ-RYUDHWBXSA-N 1 2 299.371 -1.024 20 0 CAADLO C[C@H]1COCC[N@H+]1CCNC(=O)C(=O)NC[C@@H]1CCOC1 ZINC000339340260 524718783 /nfs/dbraw/zinc/71/87/83/524718783.db2.gz GFQWZQSGLHDKCJ-RYUDHWBXSA-N 1 2 299.371 -1.024 20 0 CAADLO C[C@H]1C[C@@H]1C[NH+](CC(=O)NC(N)=O)CC(=O)NC(N)=O ZINC000047045278 524842988 /nfs/dbraw/zinc/84/29/88/524842988.db2.gz WEQPNDNBEAOAQP-NKWVEPMBSA-N 1 2 285.304 -1.666 20 0 CAADLO Cn1cnn(CC(=O)N2C[C@H]3OCC[N@H+](C)[C@H]3C2)c1=O ZINC000329096380 534816769 /nfs/dbraw/zinc/81/67/69/534816769.db2.gz LCSVSAOKVZZESD-VHSXEESVSA-N 1 2 281.316 -1.877 20 0 CAADLO Cn1cnn(CC(=O)N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)c1=O ZINC000329096380 534816773 /nfs/dbraw/zinc/81/67/73/534816773.db2.gz LCSVSAOKVZZESD-VHSXEESVSA-N 1 2 281.316 -1.877 20 0 CAADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)C(=O)NC[C@H]1CCOC1 ZINC000339340261 525124144 /nfs/dbraw/zinc/12/41/44/525124144.db2.gz GFQWZQSGLHDKCJ-VXGBXAGGSA-N 1 2 299.371 -1.024 20 0 CAADLO C[C@@H]1COCC[N@H+]1CCNC(=O)C(=O)NC[C@H]1CCOC1 ZINC000339340261 525124150 /nfs/dbraw/zinc/12/41/50/525124150.db2.gz GFQWZQSGLHDKCJ-VXGBXAGGSA-N 1 2 299.371 -1.024 20 0 CAADLO CS(=O)(=O)N1CC[NH+](C[C@@H](O)Cn2cccn2)CC1 ZINC000044974278 525177486 /nfs/dbraw/zinc/17/74/86/525177486.db2.gz YHRMKVOKZOVRAA-LLVKDONJSA-N 1 2 288.373 -1.179 20 0 CAADLO Cc1n[nH]cc1C[N@@H+]1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC000091867006 534855465 /nfs/dbraw/zinc/85/54/65/534855465.db2.gz LRGDVDZCWQUFCN-JTQLQIEISA-N 1 2 263.301 -1.139 20 0 CAADLO Cc1n[nH]cc1C[N@H+]1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC000091867006 534855468 /nfs/dbraw/zinc/85/54/68/534855468.db2.gz LRGDVDZCWQUFCN-JTQLQIEISA-N 1 2 263.301 -1.139 20 0 CAADLO O=S(=O)(C[C@@H]1CCOC1)NC[C@H]1C[NH+]2CCN1CC2 ZINC000179057408 534862054 /nfs/dbraw/zinc/86/20/54/534862054.db2.gz WZRUQNGIJHCPMA-NEPJUHHUSA-N 1 2 289.401 -1.058 20 0 CAADLO COCC[N@@H+]1C[C@@H]2OCCN(S(=O)(=O)N(C)C)[C@H]2C1 ZINC001274983159 782163734 /nfs/dbraw/zinc/16/37/34/782163734.db2.gz GEDIDECGNKWUMC-QWRGUYRKSA-N 1 2 293.389 -1.176 20 0 CAADLO O=S(=O)(C[C@H]1CCOC1)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000179057397 534863218 /nfs/dbraw/zinc/86/32/18/534863218.db2.gz WZRUQNGIJHCPMA-NWDGAFQWSA-N 1 2 289.401 -1.058 20 0 CAADLO COCC[N@H+]1C[C@@H]2OCCN(S(=O)(=O)N(C)C)[C@H]2C1 ZINC001274983159 782163743 /nfs/dbraw/zinc/16/37/43/782163743.db2.gz GEDIDECGNKWUMC-QWRGUYRKSA-N 1 2 293.389 -1.176 20 0 CAADLO C[C@H](O)CC[N@H+](C)CC(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000072714776 525722266 /nfs/dbraw/zinc/72/22/66/525722266.db2.gz XCQOVALCOYLIKS-QMMMGPOBSA-N 1 2 298.343 -1.448 20 0 CAADLO C[C@H](O)CC[N@@H+](C)CC(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000072714776 525722277 /nfs/dbraw/zinc/72/22/77/525722277.db2.gz XCQOVALCOYLIKS-QMMMGPOBSA-N 1 2 298.343 -1.448 20 0 CAADLO C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@@H+]1CC[C@@H](O)C1 ZINC000074324206 526191178 /nfs/dbraw/zinc/19/11/78/526191178.db2.gz SQFXZDSZKGZFTQ-HTQZYQBOSA-N 1 2 296.327 -1.696 20 0 CAADLO C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@H+]1CC[C@@H](O)C1 ZINC000074324206 526191188 /nfs/dbraw/zinc/19/11/88/526191188.db2.gz SQFXZDSZKGZFTQ-HTQZYQBOSA-N 1 2 296.327 -1.696 20 0 CAADLO C[C@@H]1C(=O)NCC[N@H+]1CCCN1C(=O)CNC1=O ZINC000104693499 526206341 /nfs/dbraw/zinc/20/63/41/526206341.db2.gz OAYBRKNBTJTOMM-MRVPVSSYSA-N 1 2 254.290 -1.251 20 0 CAADLO C[C@@H]1C(=O)NCC[N@@H+]1CCCN1C(=O)CNC1=O ZINC000104693499 526206349 /nfs/dbraw/zinc/20/63/49/526206349.db2.gz OAYBRKNBTJTOMM-MRVPVSSYSA-N 1 2 254.290 -1.251 20 0 CAADLO C[C@H]1C(=O)NCCN1C[C@@H](O)C[NH+]1CCOCC1 ZINC000246390722 526208910 /nfs/dbraw/zinc/20/89/10/526208910.db2.gz VOXSQZOMYLCVLC-QWRGUYRKSA-N 1 2 257.334 -1.500 20 0 CAADLO C[C@H]1C(=O)NCC[N@H+]1C[C@@H](O)CN1CCOCC1 ZINC000246390722 526208917 /nfs/dbraw/zinc/20/89/17/526208917.db2.gz VOXSQZOMYLCVLC-QWRGUYRKSA-N 1 2 257.334 -1.500 20 0 CAADLO C[C@H]1C(=O)NCC[N@@H+]1C[C@@H](O)CN1CCOCC1 ZINC000246390722 526208925 /nfs/dbraw/zinc/20/89/25/526208925.db2.gz VOXSQZOMYLCVLC-QWRGUYRKSA-N 1 2 257.334 -1.500 20 0 CAADLO CC(C)(C)NC(=O)CNC(=O)C[NH+]1C[C@H](O)[C@@H](O)C1 ZINC000444704813 526309571 /nfs/dbraw/zinc/30/95/71/526309571.db2.gz MKRDXSCMVJTWRE-IUCAKERBSA-N 1 2 273.333 -1.945 20 0 CAADLO CC(=O)N1CCN(C(=O)C[N@@H+](C)[C@H]2CCN(C)C2=O)CC1 ZINC000329087803 526607928 /nfs/dbraw/zinc/60/79/28/526607928.db2.gz VKNVWJGMHMKEDZ-LBPRGKRZSA-N 1 2 296.371 -1.160 20 0 CAADLO CC(=O)N1CCN(C(=O)C[N@H+](C)[C@H]2CCN(C)C2=O)CC1 ZINC000329087803 526607933 /nfs/dbraw/zinc/60/79/33/526607933.db2.gz VKNVWJGMHMKEDZ-LBPRGKRZSA-N 1 2 296.371 -1.160 20 0 CAADLO CC(=O)N1CC[N@H+](CC(=O)N2CCNC(=O)C2)C(C)(C)C1 ZINC000182214861 526622439 /nfs/dbraw/zinc/62/24/39/526622439.db2.gz PIVXHSAUKDUPNB-UHFFFAOYSA-N 1 2 296.371 -1.113 20 0 CAADLO CC(=O)N1CC[N@@H+](CC(=O)N2CCNC(=O)C2)C(C)(C)C1 ZINC000182214861 526622441 /nfs/dbraw/zinc/62/24/41/526622441.db2.gz PIVXHSAUKDUPNB-UHFFFAOYSA-N 1 2 296.371 -1.113 20 0 CAADLO CC(=O)N1CC[NH+](CCNC(=O)[C@@H]2NC(=O)O[C@H]2C)CC1 ZINC000497055075 526626157 /nfs/dbraw/zinc/62/61/57/526626157.db2.gz HNCOFDSYIVZDNN-GXSJLCMTSA-N 1 2 298.343 -1.236 20 0 CAADLO CC(=O)N1CC[NH+](CCNC(=O)[C@H]2COC(=O)N2)CC1 ZINC000496073175 526627202 /nfs/dbraw/zinc/62/72/02/526627202.db2.gz UFINDRRACWOUKV-SNVBAGLBSA-N 1 2 284.316 -1.625 20 0 CAADLO CC(C)(C)[C@@H](NC(=O)CN1CC[NH2+]CC1=O)C(N)=O ZINC000156827842 526631510 /nfs/dbraw/zinc/63/15/10/526631510.db2.gz DWXKFBOAVMDAIO-JTQLQIEISA-N 1 2 270.333 -1.566 20 0 CAADLO CC(=O)N1CC[C@H](C(=O)NC[C@H]2C[NH+]3CCN2CC3)C1 ZINC000178646002 526659304 /nfs/dbraw/zinc/65/93/04/526659304.db2.gz XZLIXCPOXZLPFP-STQMWFEESA-N 1 2 280.372 -1.029 20 0 CAADLO O=C(CCn1cncn1)N[C@@H](CO)C[NH+]1CCOCC1 ZINC000339211515 526687134 /nfs/dbraw/zinc/68/71/34/526687134.db2.gz HHXZYEZVRUBRFX-LLVKDONJSA-N 1 2 283.332 -1.523 20 0 CAADLO CC(=O)NCCC[NH+]1CCN(S(N)(=O)=O)CC1 ZINC000194371117 526734628 /nfs/dbraw/zinc/73/46/28/526734628.db2.gz HAOALDIAVYOXTR-UHFFFAOYSA-N 1 2 264.351 -1.666 20 0 CAADLO C[C@@H](C[NH2+]Cc1nc(=O)n(C)[nH]1)NC(=O)C(F)F ZINC001275052896 782164417 /nfs/dbraw/zinc/16/44/17/782164417.db2.gz QYPICRFTAGQKKZ-YFKPBYRVSA-N 1 2 263.248 -1.032 20 0 CAADLO CC(=O)NC[C@H]1CN(C(=O)CN2CC[NH2+]CC2=O)CCO1 ZINC000430399361 526792859 /nfs/dbraw/zinc/79/28/59/526792859.db2.gz ZZXDZIVSCGTUGY-NSHDSACASA-N 1 2 298.343 -2.218 20 0 CAADLO O=C(C[N@H+]1CC[C@@](F)(CO)C1)N1CCNC(=O)C1 ZINC000338585551 526803557 /nfs/dbraw/zinc/80/35/57/526803557.db2.gz CQGCDXBTALMAFQ-NSHDSACASA-N 1 2 259.281 -1.649 20 0 CAADLO O=C(C[N@@H+]1CC[C@@](F)(CO)C1)N1CCNC(=O)C1 ZINC000338585551 526803562 /nfs/dbraw/zinc/80/35/62/526803562.db2.gz CQGCDXBTALMAFQ-NSHDSACASA-N 1 2 259.281 -1.649 20 0 CAADLO O=C(C[N@H+]1CC[C@](F)(CO)C1)N1CCNC(=O)C1 ZINC000338585550 526808489 /nfs/dbraw/zinc/80/84/89/526808489.db2.gz CQGCDXBTALMAFQ-LLVKDONJSA-N 1 2 259.281 -1.649 20 0 CAADLO O=C(C[N@@H+]1CC[C@](F)(CO)C1)N1CCNC(=O)C1 ZINC000338585550 526808494 /nfs/dbraw/zinc/80/84/94/526808494.db2.gz CQGCDXBTALMAFQ-LLVKDONJSA-N 1 2 259.281 -1.649 20 0 CAADLO COCC[N@H+]1C[C@@H]2[C@H](C1)OCCN2S(=O)(=O)N(C)C ZINC001274983158 782164338 /nfs/dbraw/zinc/16/43/38/782164338.db2.gz GEDIDECGNKWUMC-MNOVXSKESA-N 1 2 293.389 -1.176 20 0 CAADLO COCC[N@@H+]1C[C@@H]2[C@H](C1)OCCN2S(=O)(=O)N(C)C ZINC001274983158 782164341 /nfs/dbraw/zinc/16/43/41/782164341.db2.gz GEDIDECGNKWUMC-MNOVXSKESA-N 1 2 293.389 -1.176 20 0 CAADLO NC(=O)[C@@H]1CN(C(=O)CCn2cc[nH+]c2)CCO1 ZINC000299657298 526979058 /nfs/dbraw/zinc/97/90/58/526979058.db2.gz MJUBGFWHNLAIRC-VIFPVBQESA-N 1 2 252.274 -1.014 20 0 CAADLO O=C(N[C@H](CO)C[NH+]1CCOCC1)[C@H]1CCNC(=O)C1 ZINC000339211139 526995862 /nfs/dbraw/zinc/99/58/62/526995862.db2.gz BXKJONALZHYFDU-QWRGUYRKSA-N 1 2 285.344 -1.678 20 0 CAADLO NC(=O)[C@H]1CCCC[N@@H+]1CC(=O)N1CCNC(=O)C1 ZINC000078719657 526999681 /nfs/dbraw/zinc/99/96/81/526999681.db2.gz BJPZKVWRELGRSU-SECBINFHSA-N 1 2 268.317 -1.715 20 0 CAADLO NC(=O)[C@H]1CCCC[N@H+]1CC(=O)N1CCNC(=O)C1 ZINC000078719657 526999684 /nfs/dbraw/zinc/99/96/84/526999684.db2.gz BJPZKVWRELGRSU-SECBINFHSA-N 1 2 268.317 -1.715 20 0 CAADLO Cn1c(=O)ccn(CC(=O)NCC[NH+]2CCOCC2)c1=O ZINC000073895811 527033097 /nfs/dbraw/zinc/03/30/97/527033097.db2.gz LNCHYVYFTKIODY-UHFFFAOYSA-N 1 2 296.327 -2.005 20 0 CAADLO NS(=O)(=O)CC[NH+]1CCN(c2ncccn2)CC1 ZINC000340049482 527291904 /nfs/dbraw/zinc/29/19/04/527291904.db2.gz NBJPSVCSVLVDTB-UHFFFAOYSA-N 1 2 271.346 -1.113 20 0 CAADLO NS(=O)(=O)N1CCN(C(=O)C=Cc2c[nH]c[nH+]2)CC1 ZINC000276604669 527296820 /nfs/dbraw/zinc/29/68/20/527296820.db2.gz OWLOFLULBXZLCR-OWOJBTEDSA-N 1 2 285.329 -1.229 20 0 CAADLO CC(C)C(=O)N[C@H](CO)C(=O)N1CC[NH+](CCO)CC1 ZINC000362541077 527522421 /nfs/dbraw/zinc/52/24/21/527522421.db2.gz MYIIBJSMUWWDCH-LLVKDONJSA-N 1 2 287.360 -1.744 20 0 CAADLO CC(C)(C(N)=O)[NH+]1CCN(c2ccc(C(N)=O)nn2)CC1 ZINC000431811073 527543672 /nfs/dbraw/zinc/54/36/72/527543672.db2.gz OSEIDLZCFRFVRN-UHFFFAOYSA-N 1 2 292.343 -1.039 20 0 CAADLO Cn1nc(C(=O)NCC[NH+]2CCOCC2)ccc1=O ZINC000012169686 527544671 /nfs/dbraw/zinc/54/46/71/527544671.db2.gz TYWQSHMAGRDCQG-UHFFFAOYSA-N 1 2 266.301 -1.158 20 0 CAADLO CCOC(=O)[C@@H](C)CNC(=O)CN1CC[NH2+]CC1=O ZINC000430430180 527716380 /nfs/dbraw/zinc/71/63/80/527716380.db2.gz YPFXOFIXAFYEHW-VIFPVBQESA-N 1 2 271.317 -1.266 20 0 CAADLO CC[N@@H+]1CCOC[C@@H]1C(=O)N1CCO[C@@H](C(N)=O)C1 ZINC000347693912 527717989 /nfs/dbraw/zinc/71/79/89/527717989.db2.gz XTDGVCYDHYJMBA-NXEZZACHSA-N 1 2 271.317 -1.580 20 0 CAADLO CC[N@H+]1CCOC[C@@H]1C(=O)N1CCO[C@@H](C(N)=O)C1 ZINC000347693912 527717990 /nfs/dbraw/zinc/71/79/90/527717990.db2.gz XTDGVCYDHYJMBA-NXEZZACHSA-N 1 2 271.317 -1.580 20 0 CAADLO CC[N@@H+]1CCOC[C@H]1C(=O)N1CCO[C@@H](C(N)=O)C1 ZINC000347693914 527720973 /nfs/dbraw/zinc/72/09/73/527720973.db2.gz XTDGVCYDHYJMBA-VHSXEESVSA-N 1 2 271.317 -1.580 20 0 CAADLO CC[N@H+]1CCOC[C@H]1C(=O)N1CCO[C@@H](C(N)=O)C1 ZINC000347693914 527720975 /nfs/dbraw/zinc/72/09/75/527720975.db2.gz XTDGVCYDHYJMBA-VHSXEESVSA-N 1 2 271.317 -1.580 20 0 CAADLO CC(C)[C@H](O)CCNC(=O)CN1CC[NH2+]CC1=O ZINC000159135121 527722801 /nfs/dbraw/zinc/72/28/01/527722801.db2.gz VVIQHORUFOIOTK-SNVBAGLBSA-N 1 2 257.334 -1.059 20 0 CAADLO CC[N@@H+]1CCO[C@@H](C(=O)N2CC(S(C)(=O)=O)C2)C1 ZINC000456977587 527725862 /nfs/dbraw/zinc/72/58/62/527725862.db2.gz YXGXWFBTYVZVQD-SNVBAGLBSA-N 1 2 276.358 -1.038 20 0 CAADLO CC[N@H+]1CCO[C@@H](C(=O)N2CC(S(C)(=O)=O)C2)C1 ZINC000456977587 527725865 /nfs/dbraw/zinc/72/58/65/527725865.db2.gz YXGXWFBTYVZVQD-SNVBAGLBSA-N 1 2 276.358 -1.038 20 0 CAADLO CC(C)NS(=O)(=O)N1CC[NH+](CCO)CC1 ZINC000163256701 527744535 /nfs/dbraw/zinc/74/45/35/527744535.db2.gz COYLPCXYKRZDPF-UHFFFAOYSA-N 1 2 251.352 -1.161 20 0 CAADLO CCN(C)S(=O)(=O)N1CC[NH+](CCO)CC1 ZINC000156215312 527850128 /nfs/dbraw/zinc/85/01/28/527850128.db2.gz SPBQDBJYYODRRU-UHFFFAOYSA-N 1 2 251.352 -1.207 20 0 CAADLO CCN(C)S(=O)(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000179059084 527854240 /nfs/dbraw/zinc/85/42/40/527854240.db2.gz BBJGDPIRHSTUAT-SNVBAGLBSA-N 1 2 262.379 -1.228 20 0 CAADLO CC[N@H+](CC(=O)N1CCN(C(C)=O)CC1)[C@H]1CCNC1=O ZINC000333314915 527898106 /nfs/dbraw/zinc/89/81/06/527898106.db2.gz ORSQIIFXKLAAQY-LBPRGKRZSA-N 1 2 296.371 -1.113 20 0 CAADLO CC[N@@H+](CC(=O)N1CCN(C(C)=O)CC1)[C@H]1CCNC1=O ZINC000333314915 527898110 /nfs/dbraw/zinc/89/81/10/527898110.db2.gz ORSQIIFXKLAAQY-LBPRGKRZSA-N 1 2 296.371 -1.113 20 0 CAADLO CCN(CC(=O)NC(C)C)C(=O)C[NH+](CCO)CCO ZINC000049754046 527902338 /nfs/dbraw/zinc/90/23/38/527902338.db2.gz UEJIGLKQMUVTLV-UHFFFAOYSA-N 1 2 289.376 -1.354 20 0 CAADLO CC[N@H+](CC(=O)NCC(=O)N1CCCC1)[C@@H]1CCNC1=O ZINC000333282345 527907159 /nfs/dbraw/zinc/90/71/59/527907159.db2.gz JDTMUFPXMIGBTG-LLVKDONJSA-N 1 2 296.371 -1.065 20 0 CAADLO CC[N@@H+](CC(=O)NCC(=O)N1CCCC1)[C@@H]1CCNC1=O ZINC000333282345 527907162 /nfs/dbraw/zinc/90/71/62/527907162.db2.gz JDTMUFPXMIGBTG-LLVKDONJSA-N 1 2 296.371 -1.065 20 0 CAADLO CCN1CN(C[C@H](O)C[NH+]2CCOCC2)CC1=O ZINC000191523381 527912355 /nfs/dbraw/zinc/91/23/55/527912355.db2.gz ZMCOXQSSCHMANS-LLVKDONJSA-N 1 2 257.334 -1.199 20 0 CAADLO CCOC(=O)[C@@](C)(O)C[N@@H+]1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC000332673563 527921034 /nfs/dbraw/zinc/92/10/34/527921034.db2.gz FVQRQXLBNWKTER-RNCFNFMXSA-N 1 2 299.327 -2.057 20 0 CAADLO CCOC(=O)[C@@](C)(O)C[N@H+]1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC000332673563 527921036 /nfs/dbraw/zinc/92/10/36/527921036.db2.gz FVQRQXLBNWKTER-RNCFNFMXSA-N 1 2 299.327 -2.057 20 0 CAADLO CCOC(=O)[C@@](C)(O)C[NH+]1CCN(C(=O)[C@H](C)O)CC1 ZINC000331052473 527921609 /nfs/dbraw/zinc/92/16/09/527921609.db2.gz JCUZUJOVIMCKFT-GWCFXTLKSA-N 1 2 288.344 -1.175 20 0 CAADLO CCOC(=O)[C@@](C)(O)C[NH+]1CCN(C(=O)[C@@H](C)O)CC1 ZINC000331052475 527922081 /nfs/dbraw/zinc/92/20/81/527922081.db2.gz JCUZUJOVIMCKFT-MFKMUULPSA-N 1 2 288.344 -1.175 20 0 CAADLO CCCC(=O)NCC(=O)NCCC[N@@H+]1CCNC(=O)C1 ZINC000344717655 527923240 /nfs/dbraw/zinc/92/32/40/527923240.db2.gz GEGZLXPCTWVYOL-UHFFFAOYSA-N 1 2 284.360 -1.159 20 0 CAADLO CCCC(=O)NCC(=O)NCCC[N@H+]1CCNC(=O)C1 ZINC000344717655 527923247 /nfs/dbraw/zinc/92/32/47/527923247.db2.gz GEGZLXPCTWVYOL-UHFFFAOYSA-N 1 2 284.360 -1.159 20 0 CAADLO CCC[N@H+](CC(N)=O)CC(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000429141779 527942758 /nfs/dbraw/zinc/94/27/58/527942758.db2.gz LBLQVLJGJNFLIM-SNVBAGLBSA-N 1 2 284.360 -1.092 20 0 CAADLO CCC[N@@H+](CC(N)=O)CC(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000429141779 527942761 /nfs/dbraw/zinc/94/27/61/527942761.db2.gz LBLQVLJGJNFLIM-SNVBAGLBSA-N 1 2 284.360 -1.092 20 0 CAADLO CC[N@H+](CC(N)=O)CC(=O)NCC(=O)N1CCCC1 ZINC000191723170 527978996 /nfs/dbraw/zinc/97/89/96/527978996.db2.gz NDLASTFFAYUIDE-UHFFFAOYSA-N 1 2 270.333 -1.468 20 0 CAADLO CC[N@@H+](CC(N)=O)CC(=O)NCC(=O)N1CCCC1 ZINC000191723170 527979002 /nfs/dbraw/zinc/97/90/02/527979002.db2.gz NDLASTFFAYUIDE-UHFFFAOYSA-N 1 2 270.333 -1.468 20 0 CAADLO CC[N@H+](CC(N)=O)CC(=O)N[C@H](C)C(=O)N(C)C ZINC000191716308 527979114 /nfs/dbraw/zinc/97/91/14/527979114.db2.gz RPXYLVAAHPFNSL-MRVPVSSYSA-N 1 2 258.322 -1.614 20 0 CAADLO CC[N@@H+](CC(N)=O)CC(=O)N[C@H](C)C(=O)N(C)C ZINC000191716308 527979118 /nfs/dbraw/zinc/97/91/18/527979118.db2.gz RPXYLVAAHPFNSL-MRVPVSSYSA-N 1 2 258.322 -1.614 20 0 CAADLO CC1(O)CC(C(=O)N[C@@H](CO)C[NH+]2CCOCC2)C1 ZINC000331869776 528037457 /nfs/dbraw/zinc/03/74/57/528037457.db2.gz LRCYGGYYSWJSMC-QWKFWESOSA-N 1 2 272.345 -1.043 20 0 CAADLO CC(C)CNC(=O)NC(=O)C[NH+]1C[C@H](O)[C@@H](O)C1 ZINC000232582615 528045374 /nfs/dbraw/zinc/04/53/74/528045374.db2.gz BZQFTQSZDRDBQH-IUCAKERBSA-N 1 2 259.306 -1.494 20 0 CAADLO CCNC(=O)CN(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000076773904 528075519 /nfs/dbraw/zinc/07/55/19/528075519.db2.gz IZZMIDOTRGKQGX-LLVKDONJSA-N 1 2 259.350 -1.253 20 0 CAADLO CCNC(=O)CN(CC[NH+]1CCOCC1)CC(=O)OC ZINC000344705067 528084757 /nfs/dbraw/zinc/08/47/57/528084757.db2.gz CKFCAUIBRROXBU-UHFFFAOYSA-N 1 2 287.360 -1.070 20 0 CAADLO CCCN(CCO)C(=O)C(=O)N1CC[NH+](C)CC1 ZINC000459849151 528087017 /nfs/dbraw/zinc/08/70/17/528087017.db2.gz CCYHFHCFTWAIMP-UHFFFAOYSA-N 1 2 257.334 -1.009 20 0 CAADLO CCOC(=O)[C@](C)(O)C[NH+]1CCN(C(=O)[C@H](C)O)CC1 ZINC000331052474 528100399 /nfs/dbraw/zinc/10/03/99/528100399.db2.gz JCUZUJOVIMCKFT-GXFFZTMASA-N 1 2 288.344 -1.175 20 0 CAADLO CCOC(=O)[C@](C)(O)C[N@@H+]1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC000332673553 528100782 /nfs/dbraw/zinc/10/07/82/528100782.db2.gz FVQRQXLBNWKTER-NOZJJQNGSA-N 1 2 299.327 -2.057 20 0 CAADLO CCOC(=O)[C@](C)(O)C[N@H+]1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC000332673553 528100786 /nfs/dbraw/zinc/10/07/86/528100786.db2.gz FVQRQXLBNWKTER-NOZJJQNGSA-N 1 2 299.327 -2.057 20 0 CAADLO CCNC(=O)N1CCN(C(=O)CN2CC[NH2+]CC2=O)CC1 ZINC000429786933 528127481 /nfs/dbraw/zinc/12/74/81/528127481.db2.gz OIHLATJDPXUXFW-UHFFFAOYSA-N 1 2 297.359 -1.708 20 0 CAADLO CCNC(=O)N1CC[C@@H](NC(=O)CN2CC[NH2+]CC2=O)C1 ZINC000430058174 528133465 /nfs/dbraw/zinc/13/34/65/528133465.db2.gz LTZFIXJYNVRHLC-SNVBAGLBSA-N 1 2 297.359 -1.662 20 0 CAADLO CCNC(=O)NC(=O)C[N@@H+]1CCc2nn(C)c(=O)cc2C1 ZINC000172795050 528161940 /nfs/dbraw/zinc/16/19/40/528161940.db2.gz GJRZVYYXGTWHNR-UHFFFAOYSA-N 1 2 293.327 -1.016 20 0 CAADLO CCNC(=O)NC(=O)C[N@H+]1CCc2nn(C)c(=O)cc2C1 ZINC000172795050 528161945 /nfs/dbraw/zinc/16/19/45/528161945.db2.gz GJRZVYYXGTWHNR-UHFFFAOYSA-N 1 2 293.327 -1.016 20 0 CAADLO CCCNC(=O)CN(C)C(=O)C[N@H+](C)[C@H]1COC[C@H]1O ZINC000352800741 528375527 /nfs/dbraw/zinc/37/55/27/528375527.db2.gz IECIIPZISBBECA-WDEREUQCSA-N 1 2 287.360 -1.338 20 0 CAADLO CCCNC(=O)CN(C)C(=O)C[N@@H+](C)[C@H]1COC[C@H]1O ZINC000352800741 528375531 /nfs/dbraw/zinc/37/55/31/528375531.db2.gz IECIIPZISBBECA-WDEREUQCSA-N 1 2 287.360 -1.338 20 0 CAADLO CC(C)[C@@H](CCO)NC(=O)CN1CC[NH2+]CC1=O ZINC000157462468 528433442 /nfs/dbraw/zinc/43/34/42/528433442.db2.gz GJGMFSFHAYBOOC-SNVBAGLBSA-N 1 2 257.334 -1.059 20 0 CAADLO CCCCNC(=O)NC(=O)C[N@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000093092975 528518106 /nfs/dbraw/zinc/51/81/06/528518106.db2.gz XGEVFHMWJPKKQA-DTORHVGOSA-N 1 2 259.306 -1.350 20 0 CAADLO CCCCNC(=O)NC(=O)C[N@@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000093092975 528518114 /nfs/dbraw/zinc/51/81/14/528518114.db2.gz XGEVFHMWJPKKQA-DTORHVGOSA-N 1 2 259.306 -1.350 20 0 CAADLO CCCNS(=O)(=O)NC[C@](C)(O)C[NH+]1CCOCC1 ZINC000489605576 528525901 /nfs/dbraw/zinc/52/59/01/528525901.db2.gz ZSYGLWNJMILPHD-NSHDSACASA-N 1 2 295.405 -1.096 20 0 CAADLO CCCNS(=O)(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000489696472 528526328 /nfs/dbraw/zinc/52/63/28/528526328.db2.gz OAOGUVURRCJVFN-JTQLQIEISA-N 1 2 262.379 -1.180 20 0 CAADLO CCOCC(=O)NCC(=O)NCC[NH+]1CCOCC1 ZINC000347889305 528558435 /nfs/dbraw/zinc/55/84/35/528558435.db2.gz FAEIIVGJWJPNOF-UHFFFAOYSA-N 1 2 273.333 -1.413 20 0 CAADLO CCOC(=O)C1(O)CC[NH+](CC(=O)N2CCNC2=O)CC1 ZINC000494992745 528604822 /nfs/dbraw/zinc/60/48/22/528604822.db2.gz FOPTXPFXXXAIFG-UHFFFAOYSA-N 1 2 299.327 -1.072 20 0 CAADLO CC(C)[C@@H](O)CCNC(=O)CN1CC[NH2+]CC1=O ZINC000159135258 528618583 /nfs/dbraw/zinc/61/85/83/528618583.db2.gz VVIQHORUFOIOTK-JTQLQIEISA-N 1 2 257.334 -1.059 20 0 CAADLO CCOC(=O)CCCNC(=O)CN1CC[NH2+]CC1=O ZINC000430206373 528700492 /nfs/dbraw/zinc/70/04/92/528700492.db2.gz VWLVWACGVDMGCR-UHFFFAOYSA-N 1 2 271.317 -1.122 20 0 CAADLO CCC(CC)(NC(=O)C1C[NH+]([C@H](C)C(N)=O)C1)C(N)=O ZINC000353200962 528710934 /nfs/dbraw/zinc/71/09/34/528710934.db2.gz LEMBTEZVXZEBNH-MRVPVSSYSA-N 1 2 284.360 -1.048 20 0 CAADLO CCOCC[N@H+](C)CC(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000093312480 528713440 /nfs/dbraw/zinc/71/34/40/528713440.db2.gz MOQCHEZZBFUWGM-UHFFFAOYSA-N 1 2 298.343 -1.183 20 0 CAADLO CCOCC[N@@H+](C)CC(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000093312480 528713443 /nfs/dbraw/zinc/71/34/43/528713443.db2.gz MOQCHEZZBFUWGM-UHFFFAOYSA-N 1 2 298.343 -1.183 20 0 CAADLO CN(C)C(=O)CN1CC2(C1)C[NH+](CC(=O)N(C)C)C2 ZINC001275200017 782167245 /nfs/dbraw/zinc/16/72/45/782167245.db2.gz XNRBTUOFYIXSDX-UHFFFAOYSA-N 1 2 268.361 -1.220 20 0 CAADLO CCOCC[NH+]1CCN(C(=O)C(=O)N(C)CCO)CC1 ZINC000459815428 528728927 /nfs/dbraw/zinc/72/89/27/528728927.db2.gz ODGPGNAPSYERAU-UHFFFAOYSA-N 1 2 287.360 -1.382 20 0 CAADLO CCOC(=O)CCS(=O)(=O)N1CC[NH+](CCO)CC1 ZINC000049064291 528739842 /nfs/dbraw/zinc/73/98/42/528739842.db2.gz VMPRVUNJRCAKJV-UHFFFAOYSA-N 1 2 294.373 -1.121 20 0 CAADLO CCOCCNC(=O)C[N@@H+]1CCC[C@@H]1CS(N)(=O)=O ZINC000440362172 528762740 /nfs/dbraw/zinc/76/27/40/528762740.db2.gz WWJQMIITPBXICO-SNVBAGLBSA-N 1 2 293.389 -1.108 20 0 CAADLO CCOCCNC(=O)C[N@H+]1CCC[C@@H]1CS(N)(=O)=O ZINC000440362172 528762744 /nfs/dbraw/zinc/76/27/44/528762744.db2.gz WWJQMIITPBXICO-SNVBAGLBSA-N 1 2 293.389 -1.108 20 0 CAADLO CCOCCNC(=O)C[N@@H+]1CCC[C@H]1CS(N)(=O)=O ZINC000440362169 528763804 /nfs/dbraw/zinc/76/38/04/528763804.db2.gz WWJQMIITPBXICO-JTQLQIEISA-N 1 2 293.389 -1.108 20 0 CAADLO CCOCCNC(=O)C[N@H+]1CCC[C@H]1CS(N)(=O)=O ZINC000440362169 528763807 /nfs/dbraw/zinc/76/38/07/528763807.db2.gz WWJQMIITPBXICO-JTQLQIEISA-N 1 2 293.389 -1.108 20 0 CAADLO CCOCCNC(=O)C[N@@H+]1CCC[C@]2(C1)NC(=O)NC2=O ZINC000331650869 528764083 /nfs/dbraw/zinc/76/40/83/528764083.db2.gz NTTULQOZSGPDFU-CYBMUJFWSA-N 1 2 298.343 -1.187 20 0 CAADLO CCOCCNC(=O)C[N@H+]1CCC[C@]2(C1)NC(=O)NC2=O ZINC000331650869 528764088 /nfs/dbraw/zinc/76/40/88/528764088.db2.gz NTTULQOZSGPDFU-CYBMUJFWSA-N 1 2 298.343 -1.187 20 0 CAADLO CCOCCNC(=O)C[N@@H+]1CCN2C(=O)NC[C@@H]2C1 ZINC000176024973 528764467 /nfs/dbraw/zinc/76/44/67/528764467.db2.gz WYNCDNWKHPNARD-SNVBAGLBSA-N 1 2 270.333 -1.152 20 0 CAADLO CCOCCNC(=O)C[N@H+]1CCN2C(=O)NC[C@@H]2C1 ZINC000176024973 528764469 /nfs/dbraw/zinc/76/44/69/528764469.db2.gz WYNCDNWKHPNARD-SNVBAGLBSA-N 1 2 270.333 -1.152 20 0 CAADLO CCOC(=O)CN(C)C(=O)C[N@H+](C)[C@@H]1COC[C@@H]1O ZINC000352791476 528781995 /nfs/dbraw/zinc/78/19/95/528781995.db2.gz IGLLPAHGDTYVSA-ZJUUUORDSA-N 1 2 274.317 -1.301 20 0 CAADLO CCOC(=O)CN(C)C(=O)C[N@@H+](C)[C@@H]1COC[C@@H]1O ZINC000352791476 528781999 /nfs/dbraw/zinc/78/19/99/528781999.db2.gz IGLLPAHGDTYVSA-ZJUUUORDSA-N 1 2 274.317 -1.301 20 0 CAADLO CCOCCOCC(=O)NCCC[N@@H+]1CCNC(=O)C1 ZINC000344733182 528790218 /nfs/dbraw/zinc/79/02/18/528790218.db2.gz LTUYKKNLHQAQNX-UHFFFAOYSA-N 1 2 287.360 -1.022 20 0 CAADLO CCOCCOCC(=O)NCCC[N@H+]1CCNC(=O)C1 ZINC000344733182 528790228 /nfs/dbraw/zinc/79/02/28/528790228.db2.gz LTUYKKNLHQAQNX-UHFFFAOYSA-N 1 2 287.360 -1.022 20 0 CAADLO CCCn1c(N)c(C(=O)C[N@@H+]2CC[C@H](O)C2)c(=O)[nH]c1=O ZINC000114470719 528821052 /nfs/dbraw/zinc/82/10/52/528821052.db2.gz VHZADQRSUPLJPN-QMMMGPOBSA-N 1 2 296.327 -1.222 20 0 CAADLO CCCn1c(N)c(C(=O)C[N@H+]2CC[C@H](O)C2)c(=O)[nH]c1=O ZINC000114470719 528821060 /nfs/dbraw/zinc/82/10/60/528821060.db2.gz VHZADQRSUPLJPN-QMMMGPOBSA-N 1 2 296.327 -1.222 20 0 CAADLO C[C@@H](C[NH2+]Cc1cnn(C)n1)NC(=O)c1cn[nH]n1 ZINC001275215029 782167333 /nfs/dbraw/zinc/16/73/33/782167333.db2.gz NCCUOFREEARTSS-ZETCQYMHSA-N 1 2 264.293 -1.159 20 0 CAADLO C[C@@H](C[NH2+]Cc1cnn(C)n1)NC(=O)c1cnn[nH]1 ZINC001275215029 782167337 /nfs/dbraw/zinc/16/73/37/782167337.db2.gz NCCUOFREEARTSS-ZETCQYMHSA-N 1 2 264.293 -1.159 20 0 CAADLO CCOCCS(=O)(=O)N1CC[NH+](CCO)CC1 ZINC000063154159 528850302 /nfs/dbraw/zinc/85/03/02/528850302.db2.gz ILBOPDGYHHUNQN-UHFFFAOYSA-N 1 2 266.363 -1.037 20 0 CAADLO CCOC[C@@H](O)CNC(=O)C[N@H+](C)CC(=O)NC(C)C ZINC000355026273 528903464 /nfs/dbraw/zinc/90/34/64/528903464.db2.gz NJBXNMKEDONCMC-NSHDSACASA-N 1 2 289.376 -1.044 20 0 CAADLO CCOC[C@@H](O)CNC(=O)C[N@@H+](C)CC(=O)NC(C)C ZINC000355026273 528903468 /nfs/dbraw/zinc/90/34/68/528903468.db2.gz NJBXNMKEDONCMC-NSHDSACASA-N 1 2 289.376 -1.044 20 0 CAADLO CCC[C@@H](NC(=O)CN1CC[NH2+]CC1=O)c1nn[nH]n1 ZINC000162076723 528973730 /nfs/dbraw/zinc/97/37/30/528973730.db2.gz LGTMFUSTGWWLEO-MRVPVSSYSA-N 1 2 281.320 -1.411 20 0 CAADLO CC(C)[NH+]1CC(NC(=O)c2cn(CC(N)=O)nn2)C1 ZINC000431392389 528983455 /nfs/dbraw/zinc/98/34/55/528983455.db2.gz ZCLZIHCIJQQPIO-UHFFFAOYSA-N 1 2 266.305 -1.414 20 0 CAADLO CCOC[C@H](O)C[NH+]1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC000354863801 528996860 /nfs/dbraw/zinc/99/68/60/528996860.db2.gz VTVIVEUVWLHEFY-GFCCVEGCSA-N 1 2 299.371 -1.193 20 0 CAADLO CCOC(=O)N1CC[C@H](NC(=O)CN2CC[NH2+]CC2=O)C1 ZINC000496874793 529010680 /nfs/dbraw/zinc/01/06/80/529010680.db2.gz LAZLKPZNNIWSFI-JTQLQIEISA-N 1 2 298.343 -1.235 20 0 CAADLO CN(C)C(=O)CN1CCO[C@H]2C[N@H+](CC(=O)N(C)C)C[C@H]21 ZINC001275199180 782167729 /nfs/dbraw/zinc/16/77/29/782167729.db2.gz HQBMUFNXEZTHIN-NEPJUHHUSA-N 1 2 298.387 -1.452 20 0 CAADLO CCN1CCCN(C(=O)C(=O)N2CC[NH+](C)CC2)CC1=O ZINC000332368596 529017617 /nfs/dbraw/zinc/01/76/17/529017617.db2.gz ZCXVEIJSFZZVAC-UHFFFAOYSA-N 1 2 296.371 -1.159 20 0 CAADLO CN(C)C(=O)CN1CCO[C@H]2C[N@@H+](CC(=O)N(C)C)C[C@H]21 ZINC001275199180 782167735 /nfs/dbraw/zinc/16/77/35/782167735.db2.gz HQBMUFNXEZTHIN-NEPJUHHUSA-N 1 2 298.387 -1.452 20 0 CAADLO CCOC(=O)NCC(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000178733357 529038871 /nfs/dbraw/zinc/03/88/71/529038871.db2.gz JFSAQXLOYWZVLR-SNVBAGLBSA-N 1 2 270.333 -1.152 20 0 CAADLO CCOC(=O)NCC(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000178733366 529038946 /nfs/dbraw/zinc/03/89/46/529038946.db2.gz JFSAQXLOYWZVLR-JTQLQIEISA-N 1 2 270.333 -1.152 20 0 CAADLO CCOC(=O)NCC(=O)N[C@H](CO)C[NH+]1CCOCC1 ZINC000495662015 529045603 /nfs/dbraw/zinc/04/56/03/529045603.db2.gz OUCNEQXILDMKRG-JTQLQIEISA-N 1 2 289.332 -1.458 20 0 CAADLO CC[NH+]1CCN(C(=O)C(=O)N2CC(=O)N(C)[C@H](C)C2)CC1 ZINC000459813524 529114107 /nfs/dbraw/zinc/11/41/07/529114107.db2.gz LJBAUOQGBMHIRN-LLVKDONJSA-N 1 2 296.371 -1.160 20 0 CAADLO CC(C)Nc1nc(N2C[C@H](O)C[C@@H]2C)nc(NCCO)[nH+]1 ZINC000343221750 529115486 /nfs/dbraw/zinc/11/54/86/529115486.db2.gz CVPNDHOTTKLNRG-VHSXEESVSA-N 1 2 296.375 -1.101 20 0 CAADLO CC(C)Nc1nc(NCCO)[nH+]c(N2C[C@H](O)C[C@@H]2C)n1 ZINC000343221750 529115490 /nfs/dbraw/zinc/11/54/90/529115490.db2.gz CVPNDHOTTKLNRG-VHSXEESVSA-N 1 2 296.375 -1.101 20 0 CAADLO CC(C)Nc1nc(NCCO)nc(N2C[C@H](O)C[C@@H]2C)[nH+]1 ZINC000343221750 529115495 /nfs/dbraw/zinc/11/54/95/529115495.db2.gz CVPNDHOTTKLNRG-VHSXEESVSA-N 1 2 296.375 -1.101 20 0 CAADLO CCN(C)C(=O)CC[NH+]1CCN(S(N)(=O)=O)CC1 ZINC000130394832 529117796 /nfs/dbraw/zinc/11/77/96/529117796.db2.gz CNWKDXAOSNJHBJ-UHFFFAOYSA-N 1 2 278.378 -1.324 20 0 CAADLO CC[NH+]1CCN(C(=O)C(=O)N2CC[C@@](C)(C(N)=O)C2)CC1 ZINC000459818472 529117933 /nfs/dbraw/zinc/11/79/33/529117933.db2.gz QNBSETLKTLTVTM-CQSZACIVSA-N 1 2 296.371 -1.126 20 0 CAADLO CC(C)NC(=O)C[N@H+](C)CC(=O)NCCCC(N)=O ZINC000347644152 529127632 /nfs/dbraw/zinc/12/76/32/529127632.db2.gz KBOHPFPLAAEDQB-UHFFFAOYSA-N 1 2 272.349 -1.176 20 0 CAADLO CC(C)NC(=O)C[N@@H+](C)CC(=O)NCCCC(N)=O ZINC000347644152 529127634 /nfs/dbraw/zinc/12/76/34/529127634.db2.gz KBOHPFPLAAEDQB-UHFFFAOYSA-N 1 2 272.349 -1.176 20 0 CAADLO CC(C)NC(=O)C[N@H+](C)CC(=O)NC[C@@]1(O)CCOC1 ZINC000339309885 529127707 /nfs/dbraw/zinc/12/77/07/529127707.db2.gz DKOBHCMODXVMAX-ZDUSSCGKSA-N 1 2 287.360 -1.290 20 0 CAADLO CC(C)NC(=O)C[N@@H+](C)CC(=O)NC[C@@]1(O)CCOC1 ZINC000339309885 529127708 /nfs/dbraw/zinc/12/77/08/529127708.db2.gz DKOBHCMODXVMAX-ZDUSSCGKSA-N 1 2 287.360 -1.290 20 0 CAADLO CC(C)NC(=O)C[NH+]1CCN(Cc2nnn(C)n2)CC1 ZINC000193261072 529129736 /nfs/dbraw/zinc/12/97/36/529129736.db2.gz IAMMCGURIDABOG-UHFFFAOYSA-N 1 2 281.364 -1.148 20 0 CAADLO CC1(C)COCC[N@@H+]1CCNC(=O)CN1CCNCC1=O ZINC000430881936 529131260 /nfs/dbraw/zinc/13/12/60/529131260.db2.gz GAERCTIGASHTRT-UHFFFAOYSA-N 1 2 298.387 -1.355 20 0 CAADLO CC1(C)COCC[N@H+]1CCNC(=O)CN1CCNCC1=O ZINC000430881936 529131261 /nfs/dbraw/zinc/13/12/61/529131261.db2.gz GAERCTIGASHTRT-UHFFFAOYSA-N 1 2 298.387 -1.355 20 0 CAADLO CC1(C)COCCN1CCNC(=O)CN1CC[NH2+]CC1=O ZINC000430881936 529131262 /nfs/dbraw/zinc/13/12/62/529131262.db2.gz GAERCTIGASHTRT-UHFFFAOYSA-N 1 2 298.387 -1.355 20 0 CAADLO CC[C@H](C)[C@@H](O)CNC(=O)CN1CC[NH2+]CC1=O ZINC000157853216 529222687 /nfs/dbraw/zinc/22/26/87/529222687.db2.gz WVMCBFBONKIMAS-UWVGGRQHSA-N 1 2 257.334 -1.059 20 0 CAADLO CC[C@@H]1C(=O)NCC[N@H+]1CCN1C(=O)CNC1=O ZINC000156374133 529266422 /nfs/dbraw/zinc/26/64/22/529266422.db2.gz BQCKJCPZXGXPSA-MRVPVSSYSA-N 1 2 254.290 -1.251 20 0 CAADLO CC[C@@H]1C(=O)NCC[N@@H+]1CCN1C(=O)CNC1=O ZINC000156374133 529266424 /nfs/dbraw/zinc/26/64/24/529266424.db2.gz BQCKJCPZXGXPSA-MRVPVSSYSA-N 1 2 254.290 -1.251 20 0 CAADLO CCOC(=O)CN1CC[NH+](CC(=O)NCCOC)CC1 ZINC000341851086 535679194 /nfs/dbraw/zinc/67/91/94/535679194.db2.gz YIPFJIKCFKTLKD-UHFFFAOYSA-N 1 2 287.360 -1.070 20 0 CAADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC000668253746 545497180 /nfs/dbraw/zinc/49/71/80/545497180.db2.gz IOXZDVAAAWSPPA-BDAKNGLRSA-N 1 2 284.316 -1.579 20 0 CAADLO C[C@@H]1COCC[N@H+]1CCNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC000668253746 545497182 /nfs/dbraw/zinc/49/71/82/545497182.db2.gz IOXZDVAAAWSPPA-BDAKNGLRSA-N 1 2 284.316 -1.579 20 0 CAADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@H]1CN(C)C(=O)N1 ZINC000668255320 545497195 /nfs/dbraw/zinc/49/71/95/545497195.db2.gz XTNCQTPZIJKQHE-NXEZZACHSA-N 1 2 270.333 -1.153 20 0 CAADLO C[C@@H]1COCC[N@H+]1CCNC(=O)[C@H]1CN(C)C(=O)N1 ZINC000668255320 545497196 /nfs/dbraw/zinc/49/71/96/545497196.db2.gz XTNCQTPZIJKQHE-NXEZZACHSA-N 1 2 270.333 -1.153 20 0 CAADLO C[C@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC000668253747 545497344 /nfs/dbraw/zinc/49/73/44/545497344.db2.gz IOXZDVAAAWSPPA-IUCAKERBSA-N 1 2 284.316 -1.579 20 0 CAADLO C[C@H]1COCC[N@H+]1CCNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC000668253747 545497346 /nfs/dbraw/zinc/49/73/46/545497346.db2.gz IOXZDVAAAWSPPA-IUCAKERBSA-N 1 2 284.316 -1.579 20 0 CAADLO NC(=O)CN1CCN(c2nc[nH+]c3c2OCCN3)CC1=O ZINC000665736035 545497372 /nfs/dbraw/zinc/49/73/72/545497372.db2.gz BWQZMNHCFWNLEB-UHFFFAOYSA-N 1 2 292.299 -1.585 20 0 CAADLO NC(=O)CN1CCN(c2[nH+]cnc3c2OCCN3)CC1=O ZINC000665736035 545497375 /nfs/dbraw/zinc/49/73/75/545497375.db2.gz BWQZMNHCFWNLEB-UHFFFAOYSA-N 1 2 292.299 -1.585 20 0 CAADLO C[C@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1CCNC1=O ZINC000668255298 545497492 /nfs/dbraw/zinc/49/74/92/545497492.db2.gz XFKNKVRBSJUXLP-VHSXEESVSA-N 1 2 255.318 -1.041 20 0 CAADLO C[C@H]1COCC[N@H+]1CCNC(=O)[C@@H]1CCNC1=O ZINC000668255298 545497494 /nfs/dbraw/zinc/49/74/94/545497494.db2.gz XFKNKVRBSJUXLP-VHSXEESVSA-N 1 2 255.318 -1.041 20 0 CAADLO C[C@@H](NC(=O)[C@@H]1CC(=O)NC(=O)N1)[C@@H](C)[NH+]1CCOCC1 ZINC000668318944 545497665 /nfs/dbraw/zinc/49/76/65/545497665.db2.gz YQOWJOXWFYJXKB-BBBLOLIVSA-N 1 2 298.343 -1.190 20 0 CAADLO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)[C@H]1CN(C)C(=O)N1 ZINC000668395110 545498467 /nfs/dbraw/zinc/49/84/67/545498467.db2.gz BRNDOHZGWAGKOQ-WDEREUQCSA-N 1 2 283.376 -1.238 20 0 CAADLO CC(=O)N1CC[NH+](CCNC(=O)[C@H]2CC(=O)N(C)C2)CC1 ZINC000076280231 545499449 /nfs/dbraw/zinc/49/94/49/545499449.db2.gz VRMXISQFMYTSFW-LBPRGKRZSA-N 1 2 296.371 -1.255 20 0 CAADLO COC(=O)COCC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000600418271 545499819 /nfs/dbraw/zinc/49/98/19/545499819.db2.gz CEMXXUBTXHEDRC-VIFPVBQESA-N 1 2 260.290 -1.377 20 0 CAADLO COC(=O)COCC(=O)NC[C@H]1COCC[N@H+]1C ZINC000600418271 545499824 /nfs/dbraw/zinc/49/98/24/545499824.db2.gz CEMXXUBTXHEDRC-VIFPVBQESA-N 1 2 260.290 -1.377 20 0 CAADLO O=C(CNC(=O)[C@@H]1CC(=O)N1)NCC[NH+]1CCOCC1 ZINC000668586618 545502198 /nfs/dbraw/zinc/50/21/98/545502198.db2.gz DNSZSFCWGGNWAL-VIFPVBQESA-N 1 2 284.316 -2.561 20 0 CAADLO CCN1C[C@@H](CNC(=O)CN2CC[NH2+]CC2=O)CC1=O ZINC000653250926 545505094 /nfs/dbraw/zinc/50/50/94/545505094.db2.gz MJUVSTOYFMQYGA-SNVBAGLBSA-N 1 2 282.344 -1.597 20 0 CAADLO Cn1cnc(S(=O)(=O)NC[C@H]2C[N@H+](C)CCN2C)c1 ZINC000329379325 545508446 /nfs/dbraw/zinc/50/84/46/545508446.db2.gz PIHITDOZVTVJBF-JTQLQIEISA-N 1 2 287.389 -1.056 20 0 CAADLO Cn1cnc(S(=O)(=O)NC[C@H]2C[N@@H+](C)CCN2C)c1 ZINC000329379325 545508448 /nfs/dbraw/zinc/50/84/48/545508448.db2.gz PIHITDOZVTVJBF-JTQLQIEISA-N 1 2 287.389 -1.056 20 0 CAADLO C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)[C@H]2CC(=O)N2)CC1 ZINC000665785928 545505616 /nfs/dbraw/zinc/50/56/16/545505616.db2.gz FRYWNFWHEXRQLY-MWLCHTKSSA-N 1 2 294.355 -1.314 20 0 CAADLO CC(=O)N[C@@H](C)C(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000178652528 545505893 /nfs/dbraw/zinc/50/58/93/545505893.db2.gz ASTHJXAUVFOTPY-GXSJLCMTSA-N 1 2 254.334 -1.373 20 0 CAADLO Cc1nc(CC(=O)NCCC(=O)N2CC[NH+](C)CC2)n[nH]1 ZINC000668675637 545507631 /nfs/dbraw/zinc/50/76/31/545507631.db2.gz PKZSLHYHQJKFTM-UHFFFAOYSA-N 1 2 294.359 -1.064 20 0 CAADLO CN(CC[NH+]1CCOCC1)Cc1nc(=O)n(C)[nH]1 ZINC000329627694 545509517 /nfs/dbraw/zinc/50/95/17/545509517.db2.gz VQNOMWQTMQFMEM-UHFFFAOYSA-N 1 2 255.322 -1.128 20 0 CAADLO NC(=O)c1cc(C(=O)NCCC[N@@H+]2CCNC(=O)C2)c[nH]1 ZINC000677931914 545511826 /nfs/dbraw/zinc/51/18/26/545511826.db2.gz XIERGDRBJVHYSU-UHFFFAOYSA-N 1 2 293.327 -1.335 20 0 CAADLO NC(=O)c1cc(C(=O)NCCC[N@H+]2CCNC(=O)C2)c[nH]1 ZINC000677931914 545511833 /nfs/dbraw/zinc/51/18/33/545511833.db2.gz XIERGDRBJVHYSU-UHFFFAOYSA-N 1 2 293.327 -1.335 20 0 CAADLO Cn1cc(S(=O)(=O)NCc2[nH]cc[nH+]2)c(=O)n(C)c1=O ZINC000083844775 545512131 /nfs/dbraw/zinc/51/21/31/545512131.db2.gz SLPGOLYXUAACTK-UHFFFAOYSA-N 1 2 299.312 -1.714 20 0 CAADLO O=C(N[C@H]1CCOC1)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000668819823 545512148 /nfs/dbraw/zinc/51/21/48/545512148.db2.gz PSXZVRZGJJUCGD-RYUDHWBXSA-N 1 2 297.355 -1.175 20 0 CAADLO O=C(C[N@H+]1C[C@H](O)C[C@H](O)C1)NC[C@@H]1CCCO1 ZINC000674464913 545518462 /nfs/dbraw/zinc/51/84/62/545518462.db2.gz DBJTULPHRLDIBC-AXFHLTTASA-N 1 2 258.318 -1.291 20 0 CAADLO O=C(C[N@@H+]1C[C@H](O)C[C@H](O)C1)NC[C@@H]1CCCO1 ZINC000674464913 545518467 /nfs/dbraw/zinc/51/84/67/545518467.db2.gz DBJTULPHRLDIBC-AXFHLTTASA-N 1 2 258.318 -1.291 20 0 CAADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC000651261312 545515926 /nfs/dbraw/zinc/51/59/26/545515926.db2.gz ZPWJPXPCJYFPBO-NXEZZACHSA-N 1 2 291.373 -1.485 20 0 CAADLO C[C@@H]1COCC[N@H+]1CCNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC000651261312 545515929 /nfs/dbraw/zinc/51/59/29/545515929.db2.gz ZPWJPXPCJYFPBO-NXEZZACHSA-N 1 2 291.373 -1.485 20 0 CAADLO O=C(C[N@H+]1C[C@H](O)C[C@H](O)C1)NC[C@H]1CCCO1 ZINC000674464998 545518292 /nfs/dbraw/zinc/51/82/92/545518292.db2.gz DBJTULPHRLDIBC-OUAUKWLOSA-N 1 2 258.318 -1.291 20 0 CAADLO O=C(C[N@@H+]1C[C@H](O)C[C@H](O)C1)NC[C@H]1CCCO1 ZINC000674464998 545518299 /nfs/dbraw/zinc/51/82/99/545518299.db2.gz DBJTULPHRLDIBC-OUAUKWLOSA-N 1 2 258.318 -1.291 20 0 CAADLO CCN1C(=O)[C@@H]2C[N@@H+]([C@@H](C)C(N)=O)CCN2C1=O ZINC000674470536 545518772 /nfs/dbraw/zinc/51/87/72/545518772.db2.gz XTOBSQCNVVKOEG-YUMQZZPRSA-N 1 2 254.290 -1.172 20 0 CAADLO CCN1C(=O)[C@@H]2C[N@H+]([C@@H](C)C(N)=O)CCN2C1=O ZINC000674470536 545518773 /nfs/dbraw/zinc/51/87/73/545518773.db2.gz XTOBSQCNVVKOEG-YUMQZZPRSA-N 1 2 254.290 -1.172 20 0 CAADLO O=C([C@H]1CC(=O)N1)N1CC[NH+](CCn2cncn2)CC1 ZINC000669058379 545519012 /nfs/dbraw/zinc/51/90/12/545519012.db2.gz QNHCYSZUJMTDKX-SNVBAGLBSA-N 1 2 278.316 -1.689 20 0 CAADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@H]1CCNC1=O ZINC000666430432 545519710 /nfs/dbraw/zinc/51/97/10/545519710.db2.gz UOQCMDFYCIPOJQ-UWVGGRQHSA-N 1 2 255.318 -1.041 20 0 CAADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1CCNC1=O ZINC000666430433 545519791 /nfs/dbraw/zinc/51/97/91/545519791.db2.gz UOQCMDFYCIPOJQ-VHSXEESVSA-N 1 2 255.318 -1.041 20 0 CAADLO C[C@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1CCNC1=O ZINC000666430431 545519940 /nfs/dbraw/zinc/51/99/40/545519940.db2.gz UOQCMDFYCIPOJQ-NXEZZACHSA-N 1 2 255.318 -1.041 20 0 CAADLO C[C@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1CN(C)C(=O)N1 ZINC000666430545 545519976 /nfs/dbraw/zinc/51/99/76/545519976.db2.gz WPBYTHXMLYPGLF-ZJUUUORDSA-N 1 2 270.333 -1.153 20 0 CAADLO CC[N@@H+]1CCOC[C@H]1C(=O)N1CC[C@](O)(C(N)=O)C1 ZINC000355070076 545521036 /nfs/dbraw/zinc/52/10/36/545521036.db2.gz NVVOKJGKRDBKPL-JOYOIKCWSA-N 1 2 271.317 -1.844 20 0 CAADLO CC[N@H+]1CCOC[C@H]1C(=O)N1CC[C@](O)(C(N)=O)C1 ZINC000355070076 545521037 /nfs/dbraw/zinc/52/10/37/545521037.db2.gz NVVOKJGKRDBKPL-JOYOIKCWSA-N 1 2 271.317 -1.844 20 0 CAADLO CC[N@@H+]1CCOC[C@@H]1C(=O)N1CC[C@@](O)(C(N)=O)C1 ZINC000355070080 545521051 /nfs/dbraw/zinc/52/10/51/545521051.db2.gz NVVOKJGKRDBKPL-SKDRFNHKSA-N 1 2 271.317 -1.844 20 0 CAADLO CC[N@H+]1CCOC[C@@H]1C(=O)N1CC[C@@](O)(C(N)=O)C1 ZINC000355070080 545521053 /nfs/dbraw/zinc/52/10/53/545521053.db2.gz NVVOKJGKRDBKPL-SKDRFNHKSA-N 1 2 271.317 -1.844 20 0 CAADLO Cn1c(C[N@H+]2CCC(=O)N(C)CC2)cc(=O)n(C)c1=O ZINC000661811207 545521868 /nfs/dbraw/zinc/52/18/68/545521868.db2.gz GXZOZNYYONWPGM-UHFFFAOYSA-N 1 2 280.328 -1.252 20 0 CAADLO Cn1c(C[N@@H+]2CCC(=O)N(C)CC2)cc(=O)n(C)c1=O ZINC000661811207 545521873 /nfs/dbraw/zinc/52/18/73/545521873.db2.gz GXZOZNYYONWPGM-UHFFFAOYSA-N 1 2 280.328 -1.252 20 0 CAADLO COC(=O)[C@H]1CNC(=O)CN1CC[N@@H+]1CCOC[C@@H]1C ZINC000337233757 545521889 /nfs/dbraw/zinc/52/18/89/545521889.db2.gz KPSANABDCCRWFA-WDEREUQCSA-N 1 2 285.344 -1.320 20 0 CAADLO COC(=O)[C@H]1CNC(=O)CN1CC[N@H+]1CCOC[C@@H]1C ZINC000337233757 545521893 /nfs/dbraw/zinc/52/18/93/545521893.db2.gz KPSANABDCCRWFA-WDEREUQCSA-N 1 2 285.344 -1.320 20 0 CAADLO COC(=O)[C@H]1CNC(=O)CN1CC[N@@H+]1CCOC[C@H]1C ZINC000337233754 545521970 /nfs/dbraw/zinc/52/19/70/545521970.db2.gz KPSANABDCCRWFA-GHMZBOCLSA-N 1 2 285.344 -1.320 20 0 CAADLO COC(=O)[C@H]1CNC(=O)CN1CC[N@H+]1CCOC[C@H]1C ZINC000337233754 545521971 /nfs/dbraw/zinc/52/19/71/545521971.db2.gz KPSANABDCCRWFA-GHMZBOCLSA-N 1 2 285.344 -1.320 20 0 CAADLO CC1(C)CNC(=O)CN1C[C@H](O)C[NH+]1CCOCC1 ZINC000337377676 545522743 /nfs/dbraw/zinc/52/27/43/545522743.db2.gz BUKOKGJTOYFMAY-LLVKDONJSA-N 1 2 271.361 -1.110 20 0 CAADLO CC1(C)CNC(=O)C[N@@H+]1C[C@H](O)CN1CCOCC1 ZINC000337377676 545522748 /nfs/dbraw/zinc/52/27/48/545522748.db2.gz BUKOKGJTOYFMAY-LLVKDONJSA-N 1 2 271.361 -1.110 20 0 CAADLO CC1(C)CNC(=O)C[N@H+]1C[C@H](O)CN1CCOCC1 ZINC000337377676 545522753 /nfs/dbraw/zinc/52/27/53/545522753.db2.gz BUKOKGJTOYFMAY-LLVKDONJSA-N 1 2 271.361 -1.110 20 0 CAADLO CN(CC(=O)N1CCCC1)C(=O)CN1CC[NH2+]CC1=O ZINC000645243404 545527449 /nfs/dbraw/zinc/52/74/49/545527449.db2.gz JWGDIUXKDREFIE-UHFFFAOYSA-N 1 2 282.344 -1.501 20 0 CAADLO C[C@@H](C(=O)N[C@@H](CO)C[NH+](C)C)S(C)(=O)=O ZINC000673520648 545532027 /nfs/dbraw/zinc/53/20/27/545532027.db2.gz FZXBHLXHSWILFI-JGVFFNPUSA-N 1 2 252.336 -1.542 20 0 CAADLO CCS(=O)(=O)CC(=O)N[C@@H](CO)C[NH+](C)C ZINC000673519287 545532109 /nfs/dbraw/zinc/53/21/09/545532109.db2.gz BEMZLUHIVXTKSD-MRVPVSSYSA-N 1 2 252.336 -1.540 20 0 CAADLO C[C@H](C(=O)N[C@H](CO)C[NH+](C)C)S(C)(=O)=O ZINC000673520649 545532261 /nfs/dbraw/zinc/53/22/61/545532261.db2.gz FZXBHLXHSWILFI-SFYZADRCSA-N 1 2 252.336 -1.542 20 0 CAADLO C[C@H](C[NH+]1CCOCC1)NC(=O)NC(C)(CO)CO ZINC000647994157 545534574 /nfs/dbraw/zinc/53/45/74/545534574.db2.gz MLGAZNBYMSTYQO-SNVBAGLBSA-N 1 2 275.349 -1.250 20 0 CAADLO CCOC(=O)[C@](C)(O)C[N@@H+]1C[C@@H](O)C[C@@H]1C(=O)OC ZINC000352046682 545536540 /nfs/dbraw/zinc/53/65/40/545536540.db2.gz VJMGJFZCJHQVLS-YGOYTEALSA-N 1 2 275.301 -1.091 20 0 CAADLO CCOC(=O)[C@](C)(O)C[N@H+]1C[C@@H](O)C[C@@H]1C(=O)OC ZINC000352046682 545536546 /nfs/dbraw/zinc/53/65/46/545536546.db2.gz VJMGJFZCJHQVLS-YGOYTEALSA-N 1 2 275.301 -1.091 20 0 CAADLO C[C@@H](O)CN(C)C(=O)C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000670999402 545538990 /nfs/dbraw/zinc/53/89/90/545538990.db2.gz QRLOPCMQNRMYQY-GHMZBOCLSA-N 1 2 287.360 -1.338 20 0 CAADLO Cn1cc(S(=O)(=O)NCc2c[nH]c[nH+]2)c(=O)n(C)c1=O ZINC000088759519 545541043 /nfs/dbraw/zinc/54/10/43/545541043.db2.gz QBMWSMKMYHVRNQ-UHFFFAOYSA-N 1 2 299.312 -1.714 20 0 CAADLO C[C@H](NC(N)=O)C(=O)N(CCO)CC[NH+]1CCOCC1 ZINC000339801184 545541524 /nfs/dbraw/zinc/54/15/24/545541524.db2.gz WPDZNBRFWGVXFQ-JTQLQIEISA-N 1 2 288.348 -1.804 20 0 CAADLO CN1C[C@H](C(=O)N(CCO)CC[NH+]2CCOCC2)CC1=O ZINC000339804495 545541874 /nfs/dbraw/zinc/54/18/74/545541874.db2.gz QDNSJSBCHIJACB-GFCCVEGCSA-N 1 2 299.371 -1.382 20 0 CAADLO NC(=O)CC(=O)N(CCO)CC[NH+]1CCOCC1 ZINC000339806708 545542135 /nfs/dbraw/zinc/54/21/35/545542135.db2.gz PBYVKZXCVSHGLA-UHFFFAOYSA-N 1 2 259.306 -1.985 20 0 CAADLO O=C(CN1CCCC1=O)N(CCO)CC[NH+]1CCOCC1 ZINC000339801172 545542185 /nfs/dbraw/zinc/54/21/85/545542185.db2.gz WHMJQOVBMDZEGX-UHFFFAOYSA-N 1 2 299.371 -1.238 20 0 CAADLO O=C(CN1CC[NH2+]CC1=O)NCCOC[C@H]1CCOC1 ZINC000645960687 545554707 /nfs/dbraw/zinc/55/47/07/545554707.db2.gz IGLYXMVKVQVRIJ-NSHDSACASA-N 1 2 285.344 -1.413 20 0 CAADLO CCNC(=O)CN(C)C(=O)CN1CC[NH2+]CC1=O ZINC000645613201 545543908 /nfs/dbraw/zinc/54/39/08/545543908.db2.gz JIYLBQXGFGPGLW-UHFFFAOYSA-N 1 2 256.306 -1.987 20 0 CAADLO COCCOCC[NH+]1CCN(C(=O)CNC(N)=O)CC1 ZINC000653002033 545544750 /nfs/dbraw/zinc/54/47/50/545544750.db2.gz NMQUBEGNZPBYGD-UHFFFAOYSA-N 1 2 288.348 -1.538 20 0 CAADLO CN(C)c1nc(N)nc(C(=O)NCCn2cc[nH+]c2)n1 ZINC000653016495 545545183 /nfs/dbraw/zinc/54/51/83/545545183.db2.gz VTUQYKFKNIMYGI-UHFFFAOYSA-N 1 2 276.304 -1.023 20 0 CAADLO CN(CC(=O)NC(C)(C)C)C(=O)CN1CC[NH2+]CC1=O ZINC000237050682 545548323 /nfs/dbraw/zinc/54/83/23/545548323.db2.gz AGDXHXHIXVXSAF-UHFFFAOYSA-N 1 2 284.360 -1.209 20 0 CAADLO COCCOCC(=O)N(CCO)CC[NH+]1CCOCC1 ZINC000343125707 545548436 /nfs/dbraw/zinc/54/84/36/545548436.db2.gz FNHYHUJIXHVDPH-UHFFFAOYSA-N 1 2 290.360 -1.198 20 0 CAADLO C[C@@H]1C[N@H+](CCOCCO)CCN1S(C)(=O)=O ZINC000345965140 545549797 /nfs/dbraw/zinc/54/97/97/545549797.db2.gz WCDBZRCQQUKXHS-SNVBAGLBSA-N 1 2 266.363 -1.039 20 0 CAADLO C[C@@H]1C[N@@H+](CCOCCO)CCN1S(C)(=O)=O ZINC000345965140 545549800 /nfs/dbraw/zinc/54/98/00/545549800.db2.gz WCDBZRCQQUKXHS-SNVBAGLBSA-N 1 2 266.363 -1.039 20 0 CAADLO Cc1nc2n(n1)C[C@@H](NC(=O)CN1CC[NH2+]CC1=O)CC2 ZINC000645891251 545551532 /nfs/dbraw/zinc/55/15/32/545551532.db2.gz KYTFUGDQSDBDOT-JTQLQIEISA-N 1 2 292.343 -1.551 20 0 CAADLO Cc1nc2n(n1)C[C@H](NC(=O)CN1CC[NH2+]CC1=O)CC2 ZINC000645891252 545551580 /nfs/dbraw/zinc/55/15/80/545551580.db2.gz KYTFUGDQSDBDOT-SNVBAGLBSA-N 1 2 292.343 -1.551 20 0 CAADLO CCN1OC[C@H](N2CC[NH+](CC(=O)N(C)C)CC2)C1=O ZINC000659830053 545551687 /nfs/dbraw/zinc/55/16/87/545551687.db2.gz CJMAWJSRQDSBRL-NSHDSACASA-N 1 2 284.360 -1.146 20 0 CAADLO CCN1OC[C@@H](N2CC[NH+](CC(=O)N(C)C)CC2)C1=O ZINC000659830052 545551852 /nfs/dbraw/zinc/55/18/52/545551852.db2.gz CJMAWJSRQDSBRL-LLVKDONJSA-N 1 2 284.360 -1.146 20 0 CAADLO Cn1nnnc1CCNC(=O)C(C)(C)[NH+]1CCOCC1 ZINC000669909180 545555327 /nfs/dbraw/zinc/55/53/27/545555327.db2.gz FYAQRWIOWGVIBH-UHFFFAOYSA-N 1 2 282.348 -1.020 20 0 CAADLO CCS(=O)(=O)N[C@H](C)C(=O)N1CC[NH+](CCO)CC1 ZINC000666190389 545554144 /nfs/dbraw/zinc/55/41/44/545554144.db2.gz MQCPMSQNGNCKOI-SNVBAGLBSA-N 1 2 293.389 -1.549 20 0 CAADLO OC[C@@H]1COCCN1C[C@H](O)C[NH+]1CCOCC1 ZINC000384704554 545563116 /nfs/dbraw/zinc/56/31/16/545563116.db2.gz CZWFMXQWNXGIBP-VXGBXAGGSA-N 1 2 260.334 -1.627 20 0 CAADLO OC[C@@H]1COCC[N@@H+]1C[C@H](O)CN1CCOCC1 ZINC000384704554 545563118 /nfs/dbraw/zinc/56/31/18/545563118.db2.gz CZWFMXQWNXGIBP-VXGBXAGGSA-N 1 2 260.334 -1.627 20 0 CAADLO OC[C@@H]1COCC[N@H+]1C[C@H](O)CN1CCOCC1 ZINC000384704554 545563122 /nfs/dbraw/zinc/56/31/22/545563122.db2.gz CZWFMXQWNXGIBP-VXGBXAGGSA-N 1 2 260.334 -1.627 20 0 CAADLO Cc1cncc(CC[N@@H+]2CCN3C(=O)C(=O)NC[C@H]3C2)n1 ZINC000649551546 545563851 /nfs/dbraw/zinc/56/38/51/545563851.db2.gz CVFFRJZMSABGGA-LBPRGKRZSA-N 1 2 289.339 -1.030 20 0 CAADLO Cc1cncc(CC[N@H+]2CCN3C(=O)C(=O)NC[C@H]3C2)n1 ZINC000649551546 545563854 /nfs/dbraw/zinc/56/38/54/545563854.db2.gz CVFFRJZMSABGGA-LBPRGKRZSA-N 1 2 289.339 -1.030 20 0 CAADLO Cc1cncc(CC[N@@H+]2CCN3C(=O)C(=O)NC[C@@H]3C2)n1 ZINC000649551545 545564806 /nfs/dbraw/zinc/56/48/06/545564806.db2.gz CVFFRJZMSABGGA-GFCCVEGCSA-N 1 2 289.339 -1.030 20 0 CAADLO Cc1cncc(CC[N@H+]2CCN3C(=O)C(=O)NC[C@@H]3C2)n1 ZINC000649551545 545564809 /nfs/dbraw/zinc/56/48/09/545564809.db2.gz CVFFRJZMSABGGA-GFCCVEGCSA-N 1 2 289.339 -1.030 20 0 CAADLO C[NH+](C)CCN1CCN(Cc2n[nH]c(=O)[nH]2)CC1=O ZINC000649685826 545564821 /nfs/dbraw/zinc/56/48/21/545564821.db2.gz NMCRMCZKIAJNNQ-UHFFFAOYSA-N 1 2 268.321 -1.284 20 0 CAADLO COC[C@@H]1C[C@@H](O)C[N@@H+]1CC(=O)N[C@H](C)C(=O)N(C)C ZINC000649742788 545565106 /nfs/dbraw/zinc/56/51/06/545565106.db2.gz RQFVMHIJOCAEAL-OUAUKWLOSA-N 1 2 287.360 -1.339 20 0 CAADLO COC[C@@H]1C[C@@H](O)C[N@H+]1CC(=O)N[C@H](C)C(=O)N(C)C ZINC000649742788 545565109 /nfs/dbraw/zinc/56/51/09/545565109.db2.gz RQFVMHIJOCAEAL-OUAUKWLOSA-N 1 2 287.360 -1.339 20 0 CAADLO COC[C@H]1C[C@@H](O)C[N@@H+]1CC(=O)N[C@@H](C)C(=O)N(C)C ZINC000649761963 545565989 /nfs/dbraw/zinc/56/59/89/545565989.db2.gz RQFVMHIJOCAEAL-HBNTYKKESA-N 1 2 287.360 -1.339 20 0 CAADLO COC[C@H]1C[C@@H](O)C[N@H+]1CC(=O)N[C@@H](C)C(=O)N(C)C ZINC000649761963 545565995 /nfs/dbraw/zinc/56/59/95/545565995.db2.gz RQFVMHIJOCAEAL-HBNTYKKESA-N 1 2 287.360 -1.339 20 0 CAADLO NC(=O)[C@@H]1CC[C@H]1C(=O)NCCC[N@@H+]1CCNC(=O)C1 ZINC000654950175 545568842 /nfs/dbraw/zinc/56/88/42/545568842.db2.gz LFAGIJAFWFNZBY-NXEZZACHSA-N 1 2 282.344 -1.564 20 0 CAADLO NC(=O)[C@@H]1CC[C@H]1C(=O)NCCC[N@H+]1CCNC(=O)C1 ZINC000654950175 545568848 /nfs/dbraw/zinc/56/88/48/545568848.db2.gz LFAGIJAFWFNZBY-NXEZZACHSA-N 1 2 282.344 -1.564 20 0 CAADLO NC(=O)[C@H]1CC[C@@H]1C(=O)N(CCO)CC[NH+]1CCOCC1 ZINC000654928286 545569343 /nfs/dbraw/zinc/56/93/43/545569343.db2.gz HVPPLMDYFOBUEN-RYUDHWBXSA-N 1 2 299.371 -1.349 20 0 CAADLO CCS(=O)(=O)NCC[N@H+](CCOC)[C@@H](C)C(N)=O ZINC000068829380 545569642 /nfs/dbraw/zinc/56/96/42/545569642.db2.gz YCLPXDZVAIRGRH-VIFPVBQESA-N 1 2 281.378 -1.252 20 0 CAADLO CCS(=O)(=O)NCC[N@@H+](CCOC)[C@@H](C)C(N)=O ZINC000068829380 545569647 /nfs/dbraw/zinc/56/96/47/545569647.db2.gz YCLPXDZVAIRGRH-VIFPVBQESA-N 1 2 281.378 -1.252 20 0 CAADLO CN1C(=O)CC[C@H]1C(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000355178413 545570402 /nfs/dbraw/zinc/57/04/02/545570402.db2.gz NWGIGRBUYKTKAL-QWRGUYRKSA-N 1 2 266.345 -1.277 20 0 CAADLO CC(=O)NCC(=O)NC[C@H]1CN2CC[N@@H+]1CCC2 ZINC000670407694 545570764 /nfs/dbraw/zinc/57/07/64/545570764.db2.gz XTTDEKAEMGJVKV-NSHDSACASA-N 1 2 254.334 -1.371 20 0 CAADLO CC(=O)NCC(=O)NC[C@H]1CN2CC[N@H+]1CCC2 ZINC000670407694 545570767 /nfs/dbraw/zinc/57/07/67/545570767.db2.gz XTTDEKAEMGJVKV-NSHDSACASA-N 1 2 254.334 -1.371 20 0 CAADLO Cn1cnn(CC(=O)NC[C@H]2CN3CC[N@@H+]2CCC3)c1=O ZINC000670408155 545570810 /nfs/dbraw/zinc/57/08/10/545570810.db2.gz IIZYTLIKEBGLQT-NSHDSACASA-N 1 2 294.359 -1.912 20 0 CAADLO Cn1cnn(CC(=O)NC[C@H]2CN3CC[N@H+]2CCC3)c1=O ZINC000670408155 545570812 /nfs/dbraw/zinc/57/08/12/545570812.db2.gz IIZYTLIKEBGLQT-NSHDSACASA-N 1 2 294.359 -1.912 20 0 CAADLO C[C@@H](C(=O)NC[C@H]1C[N@@H+]2CCN1CCC2)S(C)(=O)=O ZINC000670409588 545571059 /nfs/dbraw/zinc/57/10/59/545571059.db2.gz PXNBPQUAXLBDAI-QWRGUYRKSA-N 1 2 289.401 -1.074 20 0 CAADLO C[C@@H](C(=O)NC[C@H]1C[N@H+]2CCN1CCC2)S(C)(=O)=O ZINC000670409588 545571063 /nfs/dbraw/zinc/57/10/63/545571063.db2.gz PXNBPQUAXLBDAI-QWRGUYRKSA-N 1 2 289.401 -1.074 20 0 CAADLO CS(=O)(=O)CCC(=O)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000670447016 545574615 /nfs/dbraw/zinc/57/46/15/545574615.db2.gz CZIMGRCNERZYJJ-NSHDSACASA-N 1 2 289.401 -1.073 20 0 CAADLO CC(=O)N(C)CC(=O)NC[C@H]1CN2CC[N@@H+]1CCC2 ZINC000670407070 545571497 /nfs/dbraw/zinc/57/14/97/545571497.db2.gz JVQFZYQWIPYIIO-LBPRGKRZSA-N 1 2 268.361 -1.029 20 0 CAADLO CC(=O)N(C)CC(=O)NC[C@H]1CN2CC[N@H+]1CCC2 ZINC000670407070 545571498 /nfs/dbraw/zinc/57/14/98/545571498.db2.gz JVQFZYQWIPYIIO-LBPRGKRZSA-N 1 2 268.361 -1.029 20 0 CAADLO Cn1cnn(CC(=O)NC[C@@H]2CN3CC[N@@H+]2CCC3)c1=O ZINC000670408154 545571575 /nfs/dbraw/zinc/57/15/75/545571575.db2.gz IIZYTLIKEBGLQT-LLVKDONJSA-N 1 2 294.359 -1.912 20 0 CAADLO Cn1cnn(CC(=O)NC[C@@H]2CN3CC[N@H+]2CCC3)c1=O ZINC000670408154 545571577 /nfs/dbraw/zinc/57/15/77/545571577.db2.gz IIZYTLIKEBGLQT-LLVKDONJSA-N 1 2 294.359 -1.912 20 0 CAADLO O=C(Cn1cnnn1)N[C@@H](CO)C[NH+]1CCOCC1 ZINC000670385816 545571647 /nfs/dbraw/zinc/57/16/47/545571647.db2.gz PMGNIQIRXMSDNA-SECBINFHSA-N 1 2 270.293 -2.518 20 0 CAADLO CS(=O)(=O)CCC(=O)NC[C@H]1C[N@H+]2CCN1CCC2 ZINC000670447016 545574618 /nfs/dbraw/zinc/57/46/18/545574618.db2.gz CZIMGRCNERZYJJ-NSHDSACASA-N 1 2 289.401 -1.073 20 0 CAADLO Cn1cnn(CC(=O)N[C@H]2CCc3c[nH+]cn3C2)c1=O ZINC000672151334 545572652 /nfs/dbraw/zinc/57/26/52/545572652.db2.gz QDQGQEFABKLPNY-VIFPVBQESA-N 1 2 276.300 -1.091 20 0 CAADLO CS(=O)(=O)NCC[N@@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000669943457 545556516 /nfs/dbraw/zinc/55/65/16/545556516.db2.gz CIOYEQQWXXZZQW-DTORHVGOSA-N 1 2 250.320 -1.365 20 0 CAADLO CS(=O)(=O)NCC[N@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000669943457 545556517 /nfs/dbraw/zinc/55/65/17/545556517.db2.gz CIOYEQQWXXZZQW-DTORHVGOSA-N 1 2 250.320 -1.365 20 0 CAADLO CCn1c(N)c(C(=O)C[N@H+](C)CCO)c(=O)[nH]c1=O ZINC000153120316 545557944 /nfs/dbraw/zinc/55/79/44/545557944.db2.gz CHVYSQZQIYLIOE-UHFFFAOYSA-N 1 2 270.289 -1.755 20 0 CAADLO CCn1c(N)c(C(=O)C[N@@H+](C)CCO)c(=O)[nH]c1=O ZINC000153120316 545557949 /nfs/dbraw/zinc/55/79/49/545557949.db2.gz CHVYSQZQIYLIOE-UHFFFAOYSA-N 1 2 270.289 -1.755 20 0 CAADLO CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)NCC[NH+]1CCC1 ZINC000666102897 545573584 /nfs/dbraw/zinc/57/35/84/545573584.db2.gz GAYMJLIAJKDTQP-UWVGGRQHSA-N 1 2 291.373 -1.197 20 0 CAADLO CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)NCC[NH+]1CCC1 ZINC000666102896 545573656 /nfs/dbraw/zinc/57/36/56/545573656.db2.gz GAYMJLIAJKDTQP-NXEZZACHSA-N 1 2 291.373 -1.197 20 0 CAADLO C[C@H]1COCC[N@@H+]1CCNC(=O)C(=O)N[C@H]1CCOC1 ZINC000672281659 545561045 /nfs/dbraw/zinc/56/10/45/545561045.db2.gz CTYTUXDNAVSTTQ-QWRGUYRKSA-N 1 2 285.344 -1.272 20 0 CAADLO C[C@H]1COCC[N@H+]1CCNC(=O)C(=O)N[C@H]1CCOC1 ZINC000672281659 545561048 /nfs/dbraw/zinc/56/10/48/545561048.db2.gz CTYTUXDNAVSTTQ-QWRGUYRKSA-N 1 2 285.344 -1.272 20 0 CAADLO C[C@H]1COCC[N@@H+]1CCNC(=O)C(=O)N[C@@H]1CCOC1 ZINC000672281660 545561077 /nfs/dbraw/zinc/56/10/77/545561077.db2.gz CTYTUXDNAVSTTQ-WDEREUQCSA-N 1 2 285.344 -1.272 20 0 CAADLO C[C@H]1COCC[N@H+]1CCNC(=O)C(=O)N[C@@H]1CCOC1 ZINC000672281660 545561080 /nfs/dbraw/zinc/56/10/80/545561080.db2.gz CTYTUXDNAVSTTQ-WDEREUQCSA-N 1 2 285.344 -1.272 20 0 CAADLO Cc1ncc(C(=O)NCCC[N@H+]2CCNC(=O)C2)c(N)n1 ZINC000535015297 545585520 /nfs/dbraw/zinc/58/55/20/545585520.db2.gz GJXMXDZZGABDGY-UHFFFAOYSA-N 1 2 292.343 -1.081 20 0 CAADLO O=C(c1ccn2nnnc2c1)N1CC[NH+](CCO)CC1 ZINC000666190360 545584951 /nfs/dbraw/zinc/58/49/51/545584951.db2.gz KRKIXYOWIRIKEI-UHFFFAOYSA-N 1 2 276.300 -1.126 20 0 CAADLO OCc1cn(CCCNc2[nH+]cnc3c2OCCN3)nn1 ZINC000665720147 545585025 /nfs/dbraw/zinc/58/50/25/545585025.db2.gz PBNPRYQXRUDYIC-UHFFFAOYSA-N 1 2 291.315 -1.021 20 0 CAADLO OCc1cn(CCCNc2nc[nH+]c3c2OCCN3)nn1 ZINC000665720147 545585030 /nfs/dbraw/zinc/58/50/30/545585030.db2.gz PBNPRYQXRUDYIC-UHFFFAOYSA-N 1 2 291.315 -1.021 20 0 CAADLO O=C(CO)N1CCN(c2nc[nH+]c3c2OCCN3)CC1 ZINC000665709176 545585229 /nfs/dbraw/zinc/58/52/29/545585229.db2.gz PONQWHIERKNBKM-UHFFFAOYSA-N 1 2 279.300 -1.078 20 0 CAADLO O=C(CO)N1CCN(c2[nH+]cnc3c2OCCN3)CC1 ZINC000665709176 545585233 /nfs/dbraw/zinc/58/52/33/545585233.db2.gz PONQWHIERKNBKM-UHFFFAOYSA-N 1 2 279.300 -1.078 20 0 CAADLO C[C@@H](O)C[NH+]1CCN(S(=O)(=O)N2CCC2)CC1 ZINC000671676464 545583973 /nfs/dbraw/zinc/58/39/73/545583973.db2.gz VPVNIKZODBONGX-SNVBAGLBSA-N 1 2 263.363 -1.065 20 0 CAADLO Cc1ncc(C(=O)NCCC[N@@H+]2CCNC(=O)C2)c(N)n1 ZINC000535015297 545585513 /nfs/dbraw/zinc/58/55/13/545585513.db2.gz GJXMXDZZGABDGY-UHFFFAOYSA-N 1 2 292.343 -1.081 20 0 CAADLO C[C@@H]1C[N@H+](CCNC(=O)[C@H]2CN(C)C(=O)N2)CCO1 ZINC000667816131 545590671 /nfs/dbraw/zinc/59/06/71/545590671.db2.gz LEQZGUSUZZNGTO-NXEZZACHSA-N 1 2 270.333 -1.153 20 0 CAADLO C[C@@H]1C[N@@H+](CCNC(=O)[C@H]2CN(C)C(=O)N2)CCO1 ZINC000667816131 545590673 /nfs/dbraw/zinc/59/06/73/545590673.db2.gz LEQZGUSUZZNGTO-NXEZZACHSA-N 1 2 270.333 -1.153 20 0 CAADLO C[C@H]1C[N@H+](CCNC(=O)[C@@H]2CC(=O)NC(=O)N2)CCO1 ZINC000667815799 545590718 /nfs/dbraw/zinc/59/07/18/545590718.db2.gz CHLGOKOQWAVHIM-IUCAKERBSA-N 1 2 284.316 -1.579 20 0 CAADLO C[C@H]1C[N@@H+](CCNC(=O)[C@@H]2CC(=O)NC(=O)N2)CCO1 ZINC000667815799 545590723 /nfs/dbraw/zinc/59/07/23/545590723.db2.gz CHLGOKOQWAVHIM-IUCAKERBSA-N 1 2 284.316 -1.579 20 0 CAADLO COCCOC1C[NH+](Cc2cn(C)c(=O)n(C)c2=O)C1 ZINC000667926283 545590784 /nfs/dbraw/zinc/59/07/84/545590784.db2.gz FKYKLEHAFPLIMW-UHFFFAOYSA-N 1 2 283.328 -1.069 20 0 CAADLO CCS(=O)(=O)NCCNc1[nH+]cnc2c1OCCN2 ZINC000665697373 545585789 /nfs/dbraw/zinc/58/57/89/545585789.db2.gz LCVKTSUQZGUKSJ-UHFFFAOYSA-N 1 2 287.345 -1.255 20 0 CAADLO CCS(=O)(=O)NCCNc1nc[nH+]c2c1OCCN2 ZINC000665697373 545585793 /nfs/dbraw/zinc/58/57/93/545585793.db2.gz LCVKTSUQZGUKSJ-UHFFFAOYSA-N 1 2 287.345 -1.255 20 0 CAADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)C1(n2cnnn2)CC1 ZINC000666428831 545586327 /nfs/dbraw/zinc/58/63/27/545586327.db2.gz ALIMVZXJIJSGFZ-JTQLQIEISA-N 1 2 280.332 -1.001 20 0 CAADLO CN(CC[NH+]1CCOCC1)C(=O)C1(n2cnnn2)CC1 ZINC000668000033 545591235 /nfs/dbraw/zinc/59/12/35/545591235.db2.gz YECGWAFUCKDUJS-UHFFFAOYSA-N 1 2 280.332 -1.047 20 0 CAADLO CN(CC[NH+]1CCOCC1)C(=O)[C@H]1CN(C)C(=O)N1 ZINC000668000799 545590951 /nfs/dbraw/zinc/59/09/51/545590951.db2.gz WLPVVFFMLVZJPO-SNVBAGLBSA-N 1 2 270.333 -1.199 20 0 CAADLO C[NH+](C)C1(C(=O)NCCN2CCS(=O)(=O)CC2)CC1 ZINC000667161682 545588369 /nfs/dbraw/zinc/58/83/69/545588369.db2.gz PDHGEGYJFZMMAL-UHFFFAOYSA-N 1 2 289.401 -1.073 20 0 CAADLO CN1C[C@@H](C(=O)NC[C@H]2C[N@H+](C)CCO2)NC1=O ZINC000667605433 545590084 /nfs/dbraw/zinc/59/00/84/545590084.db2.gz HHYSGJDVISSYPM-IUCAKERBSA-N 1 2 256.306 -1.543 20 0 CAADLO CN1C[C@@H](C(=O)NC[C@H]2C[N@@H+](C)CCO2)NC1=O ZINC000667605433 545590085 /nfs/dbraw/zinc/59/00/85/545590085.db2.gz HHYSGJDVISSYPM-IUCAKERBSA-N 1 2 256.306 -1.543 20 0 CAADLO C[C@@H](NC(=O)CC(N)=O)[C@H](C)[NH2+]Cc1nnn(C)n1 ZINC001275378303 782170862 /nfs/dbraw/zinc/17/08/62/782170862.db2.gz WUVWYUNPSCXOHP-NKWVEPMBSA-N 1 2 269.309 -1.932 20 0 CAADLO CCNC(=O)CC(=O)N[C@@H](C)[C@H](C)[NH2+]Cc1nnn(C)n1 ZINC001275384543 782171489 /nfs/dbraw/zinc/17/14/89/782171489.db2.gz ADZCQSMCWWCNER-IUCAKERBSA-N 1 2 297.363 -1.281 20 0 CAADLO CCNC(=O)CC(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc1nnn(C)n1 ZINC001275384541 782171601 /nfs/dbraw/zinc/17/16/01/782171601.db2.gz ADZCQSMCWWCNER-BDAKNGLRSA-N 1 2 297.363 -1.281 20 0 CAADLO CCNC(=O)CC(=O)N[C@H](C)[C@@H](C)[NH2+]Cc1nnn(C)n1 ZINC001275384544 782171844 /nfs/dbraw/zinc/17/18/44/782171844.db2.gz ADZCQSMCWWCNER-RKDXNWHRSA-N 1 2 297.363 -1.281 20 0 CAADLO C[C@@H](NC(=O)CC(N)=O)[C@@H](C)[NH2+]Cc1nnn(C)n1 ZINC001275378304 782171880 /nfs/dbraw/zinc/17/18/80/782171880.db2.gz WUVWYUNPSCXOHP-RNFRBKRXSA-N 1 2 269.309 -1.932 20 0 CAADLO C[C@@H](C[N@H+](C)CC(=O)N1CCC1)NC(=O)C(N)=O ZINC001275636806 782175292 /nfs/dbraw/zinc/17/52/92/782175292.db2.gz GQHLHFQKGWCZKV-QMMMGPOBSA-N 1 2 256.306 -1.860 20 0 CAADLO C[C@@H](C[N@@H+](C)CC(=O)N1CCC1)NC(=O)C(N)=O ZINC001275636806 782175294 /nfs/dbraw/zinc/17/52/94/782175294.db2.gz GQHLHFQKGWCZKV-QMMMGPOBSA-N 1 2 256.306 -1.860 20 0 CAADLO NC(=O)C1=NO[C@H](CNC(=O)/C=C/C[NH+]2CCOCC2)C1 ZINC001296540636 782175389 /nfs/dbraw/zinc/17/53/89/782175389.db2.gz IDLGYWMDSAXKGE-YOLVWIGZSA-N 1 2 296.327 -1.379 20 0 CAADLO CNC(=O)NC(=O)C[N@H+](C)C[C@H](C)NC(=O)C(N)=O ZINC001275637477 782175431 /nfs/dbraw/zinc/17/54/31/782175431.db2.gz KDOGZUIJSYMLQM-LURJTMIESA-N 1 2 273.293 -2.636 20 0 CAADLO CNC(=O)NC(=O)C[N@@H+](C)C[C@H](C)NC(=O)C(N)=O ZINC001275637477 782175437 /nfs/dbraw/zinc/17/54/37/782175437.db2.gz KDOGZUIJSYMLQM-LURJTMIESA-N 1 2 273.293 -2.636 20 0 CAADLO NC(=O)C1=NO[C@@H](CNC(=O)/C=C/C[NH+]2CCOCC2)C1 ZINC001296540629 782176279 /nfs/dbraw/zinc/17/62/79/782176279.db2.gz IDLGYWMDSAXKGE-TXXBHVLJSA-N 1 2 296.327 -1.379 20 0 CAADLO C[C@@H](C[N@H+](C)CC(N)=O)NC(=O)CCc1cn[nH]n1 ZINC001275659145 782178185 /nfs/dbraw/zinc/17/81/85/782178185.db2.gz MTOVBNMNABRNTD-QMMMGPOBSA-N 1 2 268.321 -1.341 20 0 CAADLO C[C@@H](C[N@@H+](C)CC(N)=O)NC(=O)CCc1cn[nH]n1 ZINC001275659145 782178190 /nfs/dbraw/zinc/17/81/90/782178190.db2.gz MTOVBNMNABRNTD-QMMMGPOBSA-N 1 2 268.321 -1.341 20 0 CAADLO C[C@@H](C[N@H+](C)CC(N)=O)NC(=O)CCc1c[nH]nn1 ZINC001275659145 782178196 /nfs/dbraw/zinc/17/81/96/782178196.db2.gz MTOVBNMNABRNTD-QMMMGPOBSA-N 1 2 268.321 -1.341 20 0 CAADLO C[C@@H](C[N@@H+](C)CC(N)=O)NC(=O)CCc1c[nH]nn1 ZINC001275659145 782178202 /nfs/dbraw/zinc/17/82/02/782178202.db2.gz MTOVBNMNABRNTD-QMMMGPOBSA-N 1 2 268.321 -1.341 20 0 CAADLO C[C@@H](CNC(=O)[C@@H]1CCNC1=O)[N@H+](C)Cc1cnnn1C ZINC001275897392 782181885 /nfs/dbraw/zinc/18/18/85/782181885.db2.gz NARPIAHDBOOZAR-GXSJLCMTSA-N 1 2 294.359 -1.112 20 0 CAADLO C[C@@H](CNC(=O)[C@@H]1CCNC1=O)[N@@H+](C)Cc1cnnn1C ZINC001275897392 782181891 /nfs/dbraw/zinc/18/18/91/782181891.db2.gz NARPIAHDBOOZAR-GXSJLCMTSA-N 1 2 294.359 -1.112 20 0 CAADLO C[C@H](CNC(=O)[C@H]1CCNC1=O)[N@H+](C)Cc1cnnn1C ZINC001275897393 782181983 /nfs/dbraw/zinc/18/19/83/782181983.db2.gz NARPIAHDBOOZAR-KOLCDFICSA-N 1 2 294.359 -1.112 20 0 CAADLO C[C@H](CNC(=O)[C@H]1CCNC1=O)[N@@H+](C)Cc1cnnn1C ZINC001275897393 782181989 /nfs/dbraw/zinc/18/19/89/782181989.db2.gz NARPIAHDBOOZAR-KOLCDFICSA-N 1 2 294.359 -1.112 20 0 CAADLO CCS(=O)(=O)CCC[N@H+](C)[C@@H](C)CNC(=O)C(N)=O ZINC001275912086 782182068 /nfs/dbraw/zinc/18/20/68/782182068.db2.gz IRLAPTXXAGPYCD-VIFPVBQESA-N 1 2 293.389 -1.267 20 0 CAADLO CCS(=O)(=O)CCC[N@@H+](C)[C@@H](C)CNC(=O)C(N)=O ZINC001275912086 782182075 /nfs/dbraw/zinc/18/20/75/782182075.db2.gz IRLAPTXXAGPYCD-VIFPVBQESA-N 1 2 293.389 -1.267 20 0 CAADLO CCCCNC(=O)C[N@H+](C)[C@@H](C)CNC(=O)C(N)=O ZINC001275921132 782182549 /nfs/dbraw/zinc/18/25/49/782182549.db2.gz QLCYVLSYYOMYNV-VIFPVBQESA-N 1 2 272.349 -1.176 20 0 CAADLO CCCCNC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)C(N)=O ZINC001275921132 782182553 /nfs/dbraw/zinc/18/25/53/782182553.db2.gz QLCYVLSYYOMYNV-VIFPVBQESA-N 1 2 272.349 -1.176 20 0 CAADLO C[C@@H](CNC(=O)C(N)=O)[N@H+](C)CC(=O)NC(C)(C)C ZINC001275920068 782182604 /nfs/dbraw/zinc/18/26/04/782182604.db2.gz HXOYTTOBOUFTAC-QMMMGPOBSA-N 1 2 272.349 -1.177 20 0 CAADLO C[C@@H](CNC(=O)C(N)=O)[N@@H+](C)CC(=O)NC(C)(C)C ZINC001275920068 782182610 /nfs/dbraw/zinc/18/26/10/782182610.db2.gz HXOYTTOBOUFTAC-QMMMGPOBSA-N 1 2 272.349 -1.177 20 0 CAADLO C[C@H](CNC(=O)C(N)=O)[N@H+](C)CC(=O)N1CCCC1 ZINC001275911597 782182631 /nfs/dbraw/zinc/18/26/31/782182631.db2.gz CUROYSIZKDFGCN-SECBINFHSA-N 1 2 270.333 -1.469 20 0 CAADLO C[C@H](CNC(=O)C(N)=O)[N@@H+](C)CC(=O)N1CCCC1 ZINC001275911597 782182636 /nfs/dbraw/zinc/18/26/36/782182636.db2.gz CUROYSIZKDFGCN-SECBINFHSA-N 1 2 270.333 -1.469 20 0 CAADLO C[C@H](CNC(=O)c1ncn[nH]1)[N@H+](C)[C@@H]1CCC(=O)NC1=O ZINC001275962790 782184094 /nfs/dbraw/zinc/18/40/94/782184094.db2.gz JRVVLSYRROPRCA-HTQZYQBOSA-N 1 2 294.315 -1.340 20 0 CAADLO C[C@H](CNC(=O)c1ncn[nH]1)[N@@H+](C)[C@@H]1CCC(=O)NC1=O ZINC001275962790 782184098 /nfs/dbraw/zinc/18/40/98/782184098.db2.gz JRVVLSYRROPRCA-HTQZYQBOSA-N 1 2 294.315 -1.340 20 0 CAADLO C[C@H](CNC(=O)c1nc[nH]n1)[N@H+](C)[C@@H]1CCC(=O)NC1=O ZINC001275962790 782184101 /nfs/dbraw/zinc/18/41/01/782184101.db2.gz JRVVLSYRROPRCA-HTQZYQBOSA-N 1 2 294.315 -1.340 20 0 CAADLO C[C@@H](CNC(=O)C(N)=O)[N@H+](C)CC(=O)N1CCCC1 ZINC001275911598 782182927 /nfs/dbraw/zinc/18/29/27/782182927.db2.gz CUROYSIZKDFGCN-VIFPVBQESA-N 1 2 270.333 -1.469 20 0 CAADLO C[C@@H](CNC(=O)C(N)=O)[N@@H+](C)CC(=O)N1CCCC1 ZINC001275911598 782182933 /nfs/dbraw/zinc/18/29/33/782182933.db2.gz CUROYSIZKDFGCN-VIFPVBQESA-N 1 2 270.333 -1.469 20 0 CAADLO C[C@H](CNC(=O)Cc1nnc[nH]1)[N@H+](C)[C@@H](C)C(N)=O ZINC001275969905 782185247 /nfs/dbraw/zinc/18/52/47/782185247.db2.gz HIKNQAKZQCNQEP-SFYZADRCSA-N 1 2 268.321 -1.343 20 0 CAADLO C[C@H](CNC(=O)Cc1nnc[nH]1)[N@@H+](C)[C@@H](C)C(N)=O ZINC001275969905 782185252 /nfs/dbraw/zinc/18/52/52/782185252.db2.gz HIKNQAKZQCNQEP-SFYZADRCSA-N 1 2 268.321 -1.343 20 0 CAADLO O=C(/C=C\C[NH+]1CCOCC1)N1C[C@H](O)C[C@H]1CO ZINC000867503863 582108828 /nfs/dbraw/zinc/10/88/28/582108828.db2.gz PSQJGXTXMACNAS-YSPFUZRBSA-N 1 2 270.329 -1.171 20 0 CAADLO COC(=O)C[C@@H]1C(=O)NCC[N@H+]1CCC(=O)N(C)OC ZINC000788008864 582109134 /nfs/dbraw/zinc/10/91/34/582109134.db2.gz HFQOBKOWRKUIQA-SECBINFHSA-N 1 2 287.316 -1.240 20 0 CAADLO COC(=O)C[C@@H]1C(=O)NCC[N@@H+]1CCC(=O)N(C)OC ZINC000788008864 582109135 /nfs/dbraw/zinc/10/91/35/582109135.db2.gz HFQOBKOWRKUIQA-SECBINFHSA-N 1 2 287.316 -1.240 20 0 CAADLO COC(=O)C[C@H]1C(=O)NCC[N@H+]1CCC(=O)N(C)OC ZINC000788008865 582109185 /nfs/dbraw/zinc/10/91/85/582109185.db2.gz HFQOBKOWRKUIQA-VIFPVBQESA-N 1 2 287.316 -1.240 20 0 CAADLO COC(=O)C[C@H]1C(=O)NCC[N@@H+]1CCC(=O)N(C)OC ZINC000788008865 582109187 /nfs/dbraw/zinc/10/91/87/582109187.db2.gz HFQOBKOWRKUIQA-VIFPVBQESA-N 1 2 287.316 -1.240 20 0 CAADLO Cn1[nH]cnc1=NC(=O)C(=O)N1CC[N@H+](C)C(C)(C)C1 ZINC000891007069 582109238 /nfs/dbraw/zinc/10/92/38/582109238.db2.gz WPRWSIBEWFQHCZ-UHFFFAOYSA-N 1 2 280.332 -1.272 20 0 CAADLO Cn1[nH]cnc1=NC(=O)C(=O)N1CC[N@@H+](C)C(C)(C)C1 ZINC000891007069 582109239 /nfs/dbraw/zinc/10/92/39/582109239.db2.gz WPRWSIBEWFQHCZ-UHFFFAOYSA-N 1 2 280.332 -1.272 20 0 CAADLO C[C@H](C[NH+]1CCOCC1)OC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC000845375479 582109296 /nfs/dbraw/zinc/10/92/96/582109296.db2.gz LECXFTJZDYXQTO-ZJUUUORDSA-N 1 2 292.357 -1.058 20 0 CAADLO CNC(=O)C(=O)N1CC[NH+](CCOCCOC)CC1 ZINC000650382346 582109815 /nfs/dbraw/zinc/10/98/15/582109815.db2.gz ATXUNNVNOXAWPR-UHFFFAOYSA-N 1 2 273.333 -1.460 20 0 CAADLO Cn1nnnc1CCCNC(=O)NCC[NH+]1CCOCC1 ZINC000891448989 582110062 /nfs/dbraw/zinc/11/00/62/582110062.db2.gz INZWZPABAJBXNM-UHFFFAOYSA-N 1 2 297.363 -1.226 20 0 CAADLO C[C@@H]1CC(=O)NCCN1C(=O)C(=O)NCCn1cc[nH+]c1 ZINC000670639547 582110075 /nfs/dbraw/zinc/11/00/75/582110075.db2.gz DAUXFJVEUBFQJR-SNVBAGLBSA-N 1 2 293.327 -1.264 20 0 CAADLO Cn1c(C(=O)NC[C@@H]2C[NH+]3CCN2CC3)c[nH]c1=O ZINC000866861760 582110789 /nfs/dbraw/zinc/11/07/89/582110789.db2.gz VTGZRMYBZFPQCB-SECBINFHSA-N 1 2 265.317 -1.145 20 0 CAADLO O=C(NC[C@H]1C[NH+]2CCN1CC2)[C@H]1CCCNC1=O ZINC000866861925 582110844 /nfs/dbraw/zinc/11/08/44/582110844.db2.gz ZFSDUJSTFWKJDY-QWRGUYRKSA-N 1 2 266.345 -1.371 20 0 CAADLO CC(=O)N[C@@H]1CCCN(C(=O)CO[NH+]=C(N)CCO)C1 ZINC000780123914 582110932 /nfs/dbraw/zinc/11/09/32/582110932.db2.gz AGDPRGKSPGEFOI-SNVBAGLBSA-N 1 2 286.332 -1.006 20 0 CAADLO NC(=O)C[NH+]1CCN(c2cccc(-c3nn[nH]n3)n2)CC1 ZINC000737753688 582112043 /nfs/dbraw/zinc/11/20/43/582112043.db2.gz PFWXNXJWAUTRGP-UHFFFAOYSA-N 1 2 288.315 -1.131 20 0 CAADLO CNc1cc(N2CCN3C(=O)C(=O)NC[C@H]3C2)nc[nH+]1 ZINC000892846932 582112141 /nfs/dbraw/zinc/11/21/41/582112141.db2.gz KXCYDIXCMPVPCM-QMMMGPOBSA-N 1 2 276.300 -1.335 20 0 CAADLO CNc1cc(N2CCN3C(=O)C(=O)NC[C@H]3C2)[nH+]cn1 ZINC000892846932 582112142 /nfs/dbraw/zinc/11/21/42/582112142.db2.gz KXCYDIXCMPVPCM-QMMMGPOBSA-N 1 2 276.300 -1.335 20 0 CAADLO CN(C)c1cc(N2CC[C@@](O)(C(N)=O)C2)nc[nH+]1 ZINC000893412596 582112708 /nfs/dbraw/zinc/11/27/08/582112708.db2.gz NXOWJVOXMMFCGY-NSHDSACASA-N 1 2 251.290 -1.031 20 0 CAADLO CN(C)c1cc(N2CC[C@@](O)(C(N)=O)C2)[nH+]cn1 ZINC000893412596 582112709 /nfs/dbraw/zinc/11/27/09/582112709.db2.gz NXOWJVOXMMFCGY-NSHDSACASA-N 1 2 251.290 -1.031 20 0 CAADLO CNC(=O)CNC(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000726257438 582113452 /nfs/dbraw/zinc/11/34/52/582113452.db2.gz GRIZTBQROSPDEF-VIFPVBQESA-N 1 2 258.322 -1.248 20 0 CAADLO CNC(=O)CNC(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000726257438 582113453 /nfs/dbraw/zinc/11/34/53/582113453.db2.gz GRIZTBQROSPDEF-VIFPVBQESA-N 1 2 258.322 -1.248 20 0 CAADLO C[C@H]1C[N@H+](CCNC(=O)NCCC(N)=O)CCO1 ZINC000726252986 582113455 /nfs/dbraw/zinc/11/34/55/582113455.db2.gz MDHSJSJIYUORAP-VIFPVBQESA-N 1 2 258.322 -1.118 20 0 CAADLO C[C@H]1C[N@@H+](CCNC(=O)NCCC(N)=O)CCO1 ZINC000726252986 582113456 /nfs/dbraw/zinc/11/34/56/582113456.db2.gz MDHSJSJIYUORAP-VIFPVBQESA-N 1 2 258.322 -1.118 20 0 CAADLO C[C@@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@@H+]1CCCNC(=O)C1 ZINC000726790572 582113535 /nfs/dbraw/zinc/11/35/35/582113535.db2.gz FXBILPLECCVXDM-QWRGUYRKSA-N 1 2 296.371 -1.079 20 0 CAADLO C[C@@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@H+]1CCCNC(=O)C1 ZINC000726790572 582113536 /nfs/dbraw/zinc/11/35/36/582113536.db2.gz FXBILPLECCVXDM-QWRGUYRKSA-N 1 2 296.371 -1.079 20 0 CAADLO O=C(C[N@@H+]1CCCNC(=O)C1)NCCCN1CCCC1=O ZINC000726790128 582113609 /nfs/dbraw/zinc/11/36/09/582113609.db2.gz CRIKZBYDNUYQDE-UHFFFAOYSA-N 1 2 296.371 -1.063 20 0 CAADLO O=C(C[N@H+]1CCCNC(=O)C1)NCCCN1CCCC1=O ZINC000726790128 582113611 /nfs/dbraw/zinc/11/36/11/582113611.db2.gz CRIKZBYDNUYQDE-UHFFFAOYSA-N 1 2 296.371 -1.063 20 0 CAADLO COC(=O)[C@](C)(O)C[N@@H+]1CCC(=O)NCC12COC2 ZINC000880400902 582114393 /nfs/dbraw/zinc/11/43/93/582114393.db2.gz MNJFHBCPVJJNAV-LLVKDONJSA-N 1 2 272.301 -1.499 20 0 CAADLO COC(=O)[C@](C)(O)C[N@H+]1CCC(=O)NCC12COC2 ZINC000880400902 582114394 /nfs/dbraw/zinc/11/43/94/582114394.db2.gz MNJFHBCPVJJNAV-LLVKDONJSA-N 1 2 272.301 -1.499 20 0 CAADLO NC(=O)CN1CC[N@H+](Cc2cc[nH]c(=O)c2)CC1=O ZINC000894857957 582114434 /nfs/dbraw/zinc/11/44/34/582114434.db2.gz GJMRSDUARFSGCO-UHFFFAOYSA-N 1 2 264.285 -1.083 20 0 CAADLO NC(=O)CN1CC[N@@H+](Cc2cc[nH]c(=O)c2)CC1=O ZINC000894857957 582114436 /nfs/dbraw/zinc/11/44/36/582114436.db2.gz GJMRSDUARFSGCO-UHFFFAOYSA-N 1 2 264.285 -1.083 20 0 CAADLO CS(=O)(=O)NCCNC(=S)NCCn1cc[nH+]c1 ZINC000727069041 582114985 /nfs/dbraw/zinc/11/49/85/582114985.db2.gz PLLFIQICPCATJD-UHFFFAOYSA-N 1 2 291.402 -1.104 20 0 CAADLO C[C@H]1CO[C@H](C(=O)NCC(=O)NCC[NH+]2CCOCC2)C1 ZINC000895855703 582115739 /nfs/dbraw/zinc/11/57/39/582115739.db2.gz QBGQMWOLWLJMJS-NEPJUHHUSA-N 1 2 299.371 -1.024 20 0 CAADLO C[C@@H]1CO[C@@H](C(=O)NCC(=O)NCC[NH+]2CCOCC2)C1 ZINC000895855711 582115788 /nfs/dbraw/zinc/11/57/88/582115788.db2.gz QBGQMWOLWLJMJS-NWDGAFQWSA-N 1 2 299.371 -1.024 20 0 CAADLO C[C@H](NC(=O)[C@@H]1COC(=O)N1)[C@H]1CN(C)CC[N@@H+]1C ZINC000896530790 582115995 /nfs/dbraw/zinc/11/59/95/582115995.db2.gz LNLIRJBATRMNJS-LPEHRKFASA-N 1 2 270.333 -1.155 20 0 CAADLO C[C@H](NC(=O)[C@@H]1COC(=O)N1)[C@H]1CN(C)CC[N@H+]1C ZINC000896530790 582115996 /nfs/dbraw/zinc/11/59/96/582115996.db2.gz LNLIRJBATRMNJS-LPEHRKFASA-N 1 2 270.333 -1.155 20 0 CAADLO C[C@@H](NC(=O)[C@@H]1COC(=O)N1)[C@@H]1CN(C)CC[N@@H+]1C ZINC000896530791 582116057 /nfs/dbraw/zinc/11/60/57/582116057.db2.gz LNLIRJBATRMNJS-UTLUCORTSA-N 1 2 270.333 -1.155 20 0 CAADLO C[C@@H](NC(=O)[C@@H]1COC(=O)N1)[C@@H]1CN(C)CC[N@H+]1C ZINC000896530791 582116058 /nfs/dbraw/zinc/11/60/58/582116058.db2.gz LNLIRJBATRMNJS-UTLUCORTSA-N 1 2 270.333 -1.155 20 0 CAADLO C[C@H](NC(=O)[C@@H]1COC(=O)N1)[C@@H]1CN(C)CC[N@@H+]1C ZINC000896530788 582116106 /nfs/dbraw/zinc/11/61/06/582116106.db2.gz LNLIRJBATRMNJS-GUBZILKMSA-N 1 2 270.333 -1.155 20 0 CAADLO C[C@H](NC(=O)[C@@H]1COC(=O)N1)[C@@H]1CN(C)CC[N@H+]1C ZINC000896530788 582116107 /nfs/dbraw/zinc/11/61/07/582116107.db2.gz LNLIRJBATRMNJS-GUBZILKMSA-N 1 2 270.333 -1.155 20 0 CAADLO C[C@@H](NC(=O)[C@@H]1COC(=O)N1)[C@H]1CN(C)CC[N@@H+]1C ZINC000896530789 582116115 /nfs/dbraw/zinc/11/61/15/582116115.db2.gz LNLIRJBATRMNJS-KXUCPTDWSA-N 1 2 270.333 -1.155 20 0 CAADLO C[C@@H](NC(=O)[C@@H]1COC(=O)N1)[C@H]1CN(C)CC[N@H+]1C ZINC000896530789 582116117 /nfs/dbraw/zinc/11/61/17/582116117.db2.gz LNLIRJBATRMNJS-KXUCPTDWSA-N 1 2 270.333 -1.155 20 0 CAADLO CNc1cc(N2CCN3[C@H](CNS3(=O)=O)C2)nc[nH+]1 ZINC000896594689 582116234 /nfs/dbraw/zinc/11/62/34/582116234.db2.gz KRUAQIIMIBOKFN-MRVPVSSYSA-N 1 2 284.345 -1.143 20 0 CAADLO CNc1cc(N2CCN3[C@H](CNS3(=O)=O)C2)[nH+]cn1 ZINC000896594689 582116235 /nfs/dbraw/zinc/11/62/35/582116235.db2.gz KRUAQIIMIBOKFN-MRVPVSSYSA-N 1 2 284.345 -1.143 20 0 CAADLO CNC(=O)NC(=O)CC[N@H+](C)CCS(C)(=O)=O ZINC000728053740 582116419 /nfs/dbraw/zinc/11/64/19/582116419.db2.gz JDLKTEGQGMIRGO-UHFFFAOYSA-N 1 2 265.335 -1.192 20 0 CAADLO CNC(=O)NC(=O)CC[N@@H+](C)CCS(C)(=O)=O ZINC000728053740 582116420 /nfs/dbraw/zinc/11/64/20/582116420.db2.gz JDLKTEGQGMIRGO-UHFFFAOYSA-N 1 2 265.335 -1.192 20 0 CAADLO Cn1[nH]cnc1=NC(=O)C1C[NH+]([C@H]2CCOC2)C1 ZINC000896993745 582116519 /nfs/dbraw/zinc/11/65/19/582116519.db2.gz SDJQUQXTBFMAAT-VIFPVBQESA-N 1 2 251.290 -1.104 20 0 CAADLO Cn1c[nH+]c(CN2CCN(S(N)(=O)=O)CC2)c1 ZINC000788018590 582116546 /nfs/dbraw/zinc/11/65/46/582116546.db2.gz FVSUNRBRCUDXMV-UHFFFAOYSA-N 1 2 259.335 -1.259 20 0 CAADLO C[C@]1(C(=O)NCCC[N@@H+]2CCNC(=O)C2)CCNC(=O)C1 ZINC000897080266 582116623 /nfs/dbraw/zinc/11/66/23/582116623.db2.gz SFHPJGLBVDUMIK-AWEZNQCLSA-N 1 2 296.371 -1.159 20 0 CAADLO C[C@]1(C(=O)NCCC[N@H+]2CCNC(=O)C2)CCNC(=O)C1 ZINC000897080266 582116624 /nfs/dbraw/zinc/11/66/24/582116624.db2.gz SFHPJGLBVDUMIK-AWEZNQCLSA-N 1 2 296.371 -1.159 20 0 CAADLO O=C(NCCC[N@@H+]1CCNC(=O)C1)[C@H]1CCCNC1=O ZINC000866926322 582116883 /nfs/dbraw/zinc/11/68/83/582116883.db2.gz XFQWYEPNKQKRGL-JTQLQIEISA-N 1 2 282.344 -1.549 20 0 CAADLO O=C(NCCC[N@H+]1CCNC(=O)C1)[C@H]1CCCNC1=O ZINC000866926322 582116884 /nfs/dbraw/zinc/11/68/84/582116884.db2.gz XFQWYEPNKQKRGL-JTQLQIEISA-N 1 2 282.344 -1.549 20 0 CAADLO CS(=O)(=O)N1CCC[N@H+](CC(=O)NCCC#N)CC1 ZINC000022964420 582116989 /nfs/dbraw/zinc/11/69/89/582116989.db2.gz KWLATNGFPSNWNX-UHFFFAOYSA-N 1 2 288.373 -1.016 20 0 CAADLO CS(=O)(=O)N1CCC[N@@H+](CC(=O)NCCC#N)CC1 ZINC000022964420 582116991 /nfs/dbraw/zinc/11/69/91/582116991.db2.gz KWLATNGFPSNWNX-UHFFFAOYSA-N 1 2 288.373 -1.016 20 0 CAADLO C[C@@H](O)[C@@H](O)CNC(=O)C(C)(C)[NH+]1CCOCC1 ZINC000871138144 582117086 /nfs/dbraw/zinc/11/70/86/582117086.db2.gz RXWQMXQQASWSCS-ZJUUUORDSA-N 1 2 260.334 -1.045 20 0 CAADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)NCCNS(C)(=O)=O ZINC000623407045 582117125 /nfs/dbraw/zinc/11/71/25/582117125.db2.gz RGZRPTAWXGPCNY-VIFPVBQESA-N 1 2 294.377 -1.835 20 0 CAADLO C[N@H+]1CCOC[C@@H]1CNC(=O)NCCNS(C)(=O)=O ZINC000623407045 582117126 /nfs/dbraw/zinc/11/71/26/582117126.db2.gz RGZRPTAWXGPCNY-VIFPVBQESA-N 1 2 294.377 -1.835 20 0 CAADLO CC[N@@H+]1CC[C@@H]1CNC(=O)C(=O)NCCS(C)(=O)=O ZINC000897477023 582117744 /nfs/dbraw/zinc/11/77/44/582117744.db2.gz GRERJBWHHRJBJE-SECBINFHSA-N 1 2 291.373 -1.642 20 0 CAADLO CC[N@H+]1CC[C@@H]1CNC(=O)C(=O)NCCS(C)(=O)=O ZINC000897477023 582117745 /nfs/dbraw/zinc/11/77/45/582117745.db2.gz GRERJBWHHRJBJE-SECBINFHSA-N 1 2 291.373 -1.642 20 0 CAADLO CC[N@@H+]1CC[C@@H]1CNC(=O)C(=O)NCC[S@](C)=O ZINC000897682025 582118521 /nfs/dbraw/zinc/11/85/21/582118521.db2.gz HSNQDESMDBJHJZ-LZVRBXCZSA-N 1 2 275.374 -1.309 20 0 CAADLO CC[N@H+]1CC[C@@H]1CNC(=O)C(=O)NCC[S@](C)=O ZINC000897682025 582118522 /nfs/dbraw/zinc/11/85/22/582118522.db2.gz HSNQDESMDBJHJZ-LZVRBXCZSA-N 1 2 275.374 -1.309 20 0 CAADLO Cn1c(CNC(=O)C2C[NH+]([C@H]3CCOC3)C2)n[nH]c1=O ZINC000898525340 582119711 /nfs/dbraw/zinc/11/97/11/582119711.db2.gz LJASEHPNEVOBLN-VIFPVBQESA-N 1 2 281.316 -1.142 20 0 CAADLO Cn1c(CNC(=O)C2C[NH+]([C@@H]3CCOC3)C2)n[nH]c1=O ZINC000898525338 582119745 /nfs/dbraw/zinc/11/97/45/582119745.db2.gz LJASEHPNEVOBLN-SECBINFHSA-N 1 2 281.316 -1.142 20 0 CAADLO COC(=O)C1(O)CN(C(=O)NCc2cn(C)c[nH+]2)C1 ZINC000898616012 582119761 /nfs/dbraw/zinc/11/97/61/582119761.db2.gz TZOVXWCHKYTIQO-UHFFFAOYSA-N 1 2 268.273 -1.151 20 0 CAADLO Cn1c[nH+]c(CNC(=O)N2CC(NS(C)(=O)=O)C2)c1 ZINC000898614984 582119769 /nfs/dbraw/zinc/11/97/69/582119769.db2.gz CFEWLQRJRLVTPU-UHFFFAOYSA-N 1 2 287.345 -1.137 20 0 CAADLO Cn1c[nH+]c(CNC(=O)NC[C@@]2(CO)COCCN2C)c1 ZINC000898612168 582119807 /nfs/dbraw/zinc/11/98/07/582119807.db2.gz HGBKPXSFHYMWNT-CYBMUJFWSA-N 1 2 297.359 -1.088 20 0 CAADLO C[C@H]1C(=O)N(NC(=O)[C@H]2C[N@H+](C)CCO2)C(=O)N1C ZINC000899031391 582120230 /nfs/dbraw/zinc/12/02/30/582120230.db2.gz MPRPKDSQJHSGLB-JGVFFNPUSA-N 1 2 270.289 -1.369 20 0 CAADLO C[C@H]1C(=O)N(NC(=O)[C@H]2C[N@@H+](C)CCO2)C(=O)N1C ZINC000899031391 582120231 /nfs/dbraw/zinc/12/02/31/582120231.db2.gz MPRPKDSQJHSGLB-JGVFFNPUSA-N 1 2 270.289 -1.369 20 0 CAADLO C[C@H]1C(=O)N(NC(=O)[C@@H]2C[N@H+](C)CCO2)C(=O)N1C ZINC000899031393 582120293 /nfs/dbraw/zinc/12/02/93/582120293.db2.gz MPRPKDSQJHSGLB-YUMQZZPRSA-N 1 2 270.289 -1.369 20 0 CAADLO C[C@H]1C(=O)N(NC(=O)[C@@H]2C[N@@H+](C)CCO2)C(=O)N1C ZINC000899031393 582120294 /nfs/dbraw/zinc/12/02/94/582120294.db2.gz MPRPKDSQJHSGLB-YUMQZZPRSA-N 1 2 270.289 -1.369 20 0 CAADLO O=C(NCC[N@@H+]1CCC2(C1)OCCO2)[C@H]1COCCO1 ZINC000899055928 582120424 /nfs/dbraw/zinc/12/04/24/582120424.db2.gz WOAZIRQNCKXGHY-LLVKDONJSA-N 1 2 286.328 -1.033 20 0 CAADLO O=C(NCC[N@H+]1CCC2(C1)OCCO2)[C@H]1COCCO1 ZINC000899055928 582120425 /nfs/dbraw/zinc/12/04/25/582120425.db2.gz WOAZIRQNCKXGHY-LLVKDONJSA-N 1 2 286.328 -1.033 20 0 CAADLO O=C(NCC[N@@H+]1CCC2(C1)OCCO2)[C@@H]1COC(=O)N1 ZINC000899064906 582120445 /nfs/dbraw/zinc/12/04/45/582120445.db2.gz IYYDHEZSNAEVDW-VIFPVBQESA-N 1 2 285.300 -1.340 20 0 CAADLO O=C(NCC[N@H+]1CCC2(C1)OCCO2)[C@@H]1COC(=O)N1 ZINC000899064906 582120447 /nfs/dbraw/zinc/12/04/47/582120447.db2.gz IYYDHEZSNAEVDW-VIFPVBQESA-N 1 2 285.300 -1.340 20 0 CAADLO CC(C)NC(=O)C[N@H+](C)CC(=O)NCCN1CCNC1=O ZINC000899472361 582120971 /nfs/dbraw/zinc/12/09/71/582120971.db2.gz ONDVGSCFPTUYAZ-UHFFFAOYSA-N 1 2 299.375 -1.416 20 0 CAADLO CC(C)NC(=O)C[N@@H+](C)CC(=O)NCCN1CCNC1=O ZINC000899472361 582120972 /nfs/dbraw/zinc/12/09/72/582120972.db2.gz ONDVGSCFPTUYAZ-UHFFFAOYSA-N 1 2 299.375 -1.416 20 0 CAADLO C[N@H+](CCO)CCNC(=O)[C@@H]1CCCCS1(=O)=O ZINC000899737761 582122230 /nfs/dbraw/zinc/12/22/30/582122230.db2.gz PPCBLVMBGNRVFZ-JTQLQIEISA-N 1 2 278.374 -1.006 20 0 CAADLO COC(=O)Cn1cc(C[N@@H+]2C[C@@H](O)[C@H](OC)C2)nn1 ZINC000899867917 582122699 /nfs/dbraw/zinc/12/26/99/582122699.db2.gz YTYUZCZUNCTWDD-NXEZZACHSA-N 1 2 270.289 -1.357 20 0 CAADLO COC(=O)Cn1cc(C[N@H+]2C[C@@H](O)[C@H](OC)C2)nn1 ZINC000899867917 582122700 /nfs/dbraw/zinc/12/27/00/582122700.db2.gz YTYUZCZUNCTWDD-NXEZZACHSA-N 1 2 270.289 -1.357 20 0 CAADLO CCOC(=O)C[C@@H](O)C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000600420807 582122732 /nfs/dbraw/zinc/12/27/32/582122732.db2.gz LADGPNOBXMEQCJ-VHSXEESVSA-N 1 2 274.317 -1.253 20 0 CAADLO CCOC(=O)C[C@@H](O)C(=O)NC[C@H]1COCC[N@H+]1C ZINC000600420807 582122733 /nfs/dbraw/zinc/12/27/33/582122733.db2.gz LADGPNOBXMEQCJ-VHSXEESVSA-N 1 2 274.317 -1.253 20 0 CAADLO CCOC(=O)C[C@@H](O)C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000600420794 582122746 /nfs/dbraw/zinc/12/27/46/582122746.db2.gz LADGPNOBXMEQCJ-NXEZZACHSA-N 1 2 274.317 -1.253 20 0 CAADLO CCOC(=O)C[C@@H](O)C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000600420794 582122748 /nfs/dbraw/zinc/12/27/48/582122748.db2.gz LADGPNOBXMEQCJ-NXEZZACHSA-N 1 2 274.317 -1.253 20 0 CAADLO COC(=O)c1cn(CC(=O)NC[C@H]2COCC[N@@H+]2C)nn1 ZINC000600421845 582122797 /nfs/dbraw/zinc/12/27/97/582122797.db2.gz PHGILABQOJMZDH-VIFPVBQESA-N 1 2 297.315 -1.489 20 0 CAADLO COC(=O)c1cn(CC(=O)NC[C@H]2COCC[N@H+]2C)nn1 ZINC000600421845 582122798 /nfs/dbraw/zinc/12/27/98/582122798.db2.gz PHGILABQOJMZDH-VIFPVBQESA-N 1 2 297.315 -1.489 20 0 CAADLO CN1CCO[C@H](C(=O)NCC[NH+]2CCOCC2)C1=O ZINC000899928966 582122866 /nfs/dbraw/zinc/12/28/66/582122866.db2.gz XGOJRCCKKQBLBJ-SNVBAGLBSA-N 1 2 271.317 -1.708 20 0 CAADLO CN1CCO[C@@H](C(=O)NCC[NH+]2CCOCC2)C1=O ZINC000899928965 582122885 /nfs/dbraw/zinc/12/28/85/582122885.db2.gz XGOJRCCKKQBLBJ-JTQLQIEISA-N 1 2 271.317 -1.708 20 0 CAADLO CS(=O)(=O)NC1C[NH+](C[C@@H](O)C2(O)CCC2)C1 ZINC000899893990 582122937 /nfs/dbraw/zinc/12/29/37/582122937.db2.gz YVTOHYKUXJEUBJ-SECBINFHSA-N 1 2 264.347 -1.504 20 0 CAADLO CS(=O)(=O)NC1C[NH+](C[C@H](O)C2(O)CCOCC2)C1 ZINC000899893666 582122948 /nfs/dbraw/zinc/12/29/48/582122948.db2.gz VFTFACOHRCQLPI-JTQLQIEISA-N 1 2 294.373 -1.878 20 0 CAADLO CN(C)C(=O)CNC(=O)NCC[NH+]1CCOCC1 ZINC000192904989 582123218 /nfs/dbraw/zinc/12/32/18/582123218.db2.gz IJKFTVRABTZGJS-UHFFFAOYSA-N 1 2 258.322 -1.294 20 0 CAADLO CN1C[C@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)C(=O)N1 ZINC000682522117 582123692 /nfs/dbraw/zinc/12/36/92/582123692.db2.gz JFDIAACHAQHVLP-IUCAKERBSA-N 1 2 263.301 -1.093 20 0 CAADLO CN1C[C@@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)C(=O)N1 ZINC000682522122 582123702 /nfs/dbraw/zinc/12/37/02/582123702.db2.gz JFDIAACHAQHVLP-RKDXNWHRSA-N 1 2 263.301 -1.093 20 0 CAADLO CN1C[C@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)C(=O)N1 ZINC000682522112 582123708 /nfs/dbraw/zinc/12/37/08/582123708.db2.gz JFDIAACHAQHVLP-BDAKNGLRSA-N 1 2 263.301 -1.093 20 0 CAADLO CONC(=O)CNC(=O)c1ccnn1CC[NH+](C)C ZINC000832748291 582124089 /nfs/dbraw/zinc/12/40/89/582124089.db2.gz DASXGOMALBCZBD-UHFFFAOYSA-N 1 2 269.305 -1.148 20 0 CAADLO C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H](O)CS(C)(=O)=O ZINC000832724360 582124094 /nfs/dbraw/zinc/12/40/94/582124094.db2.gz YVSVIAANSSHEBI-VHSXEESVSA-N 1 2 278.374 -1.008 20 0 CAADLO C[N@H+]1CCCC[C@@H]1C(=O)NC[C@H](O)CS(C)(=O)=O ZINC000832724360 582124096 /nfs/dbraw/zinc/12/40/96/582124096.db2.gz YVSVIAANSSHEBI-VHSXEESVSA-N 1 2 278.374 -1.008 20 0 CAADLO C[NH+]1CCN(C(=O)Cn2[nH]cc3c(=O)ncnc2-3)CC1 ZINC000730511552 582124120 /nfs/dbraw/zinc/12/41/20/582124120.db2.gz AEAWVRYOXAJDED-UHFFFAOYSA-N 1 2 276.300 -1.155 20 0 CAADLO NC(=O)C1=NO[C@H](CNC(=O)NCC[NH+]2CCOCC2)C1 ZINC000788031575 582124398 /nfs/dbraw/zinc/12/43/98/582124398.db2.gz RTOVPIXFKNRJPK-VIFPVBQESA-N 1 2 299.331 -1.752 20 0 CAADLO C=CC(=O)NCCNC(=O)C[N@@H+](C)CC(=O)NC(C)C ZINC000732100606 582124951 /nfs/dbraw/zinc/12/49/51/582124951.db2.gz VQUZGFNCWZVCME-UHFFFAOYSA-N 1 2 284.360 -1.139 20 0 CAADLO C=CC(=O)NCCNC(=O)C[N@H+](C)CC(=O)NC(C)C ZINC000732100606 582124952 /nfs/dbraw/zinc/12/49/52/582124952.db2.gz VQUZGFNCWZVCME-UHFFFAOYSA-N 1 2 284.360 -1.139 20 0 CAADLO Cn1cc(C(=O)NC[C@H]2C[N@H+](C)CCO2)c(=O)n(C)c1=O ZINC000735037010 582127935 /nfs/dbraw/zinc/12/79/35/582127935.db2.gz DHRUEXHAGPSOBB-VIFPVBQESA-N 1 2 296.327 -1.856 20 0 CAADLO Cn1cc(C(=O)NC[C@H]2C[N@@H+](C)CCO2)c(=O)n(C)c1=O ZINC000735037010 582127936 /nfs/dbraw/zinc/12/79/36/582127936.db2.gz DHRUEXHAGPSOBB-VIFPVBQESA-N 1 2 296.327 -1.856 20 0 CAADLO CC(C)[NH+]1CCN(CC(=O)NCc2nn[nH]n2)CC1 ZINC000735882360 582129610 /nfs/dbraw/zinc/12/96/10/582129610.db2.gz PWNXPOVUKWDUEY-UHFFFAOYSA-N 1 2 267.337 -1.158 20 0 CAADLO CS(=O)(=O)N[C@H]1CCC[N@H+](CCS(N)(=O)=O)C1 ZINC000735882929 582129630 /nfs/dbraw/zinc/12/96/30/582129630.db2.gz BTXXGVYGEBQIOT-QMMMGPOBSA-N 1 2 285.391 -1.712 20 0 CAADLO CS(=O)(=O)N[C@H]1CCC[N@@H+](CCS(N)(=O)=O)C1 ZINC000735882929 582129631 /nfs/dbraw/zinc/12/96/31/582129631.db2.gz BTXXGVYGEBQIOT-QMMMGPOBSA-N 1 2 285.391 -1.712 20 0 CAADLO CS(=O)(=O)N[C@@H]1CCC[N@H+](CCS(N)(=O)=O)C1 ZINC000735882928 582129683 /nfs/dbraw/zinc/12/96/83/582129683.db2.gz BTXXGVYGEBQIOT-MRVPVSSYSA-N 1 2 285.391 -1.712 20 0 CAADLO CS(=O)(=O)N[C@@H]1CCC[N@@H+](CCS(N)(=O)=O)C1 ZINC000735882928 582129684 /nfs/dbraw/zinc/12/96/84/582129684.db2.gz BTXXGVYGEBQIOT-MRVPVSSYSA-N 1 2 285.391 -1.712 20 0 CAADLO CCNS(=O)(=O)NC1CC[NH+](CC(N)=O)CC1 ZINC000736324953 582131180 /nfs/dbraw/zinc/13/11/80/582131180.db2.gz JWTAJDXKQLIDIX-UHFFFAOYSA-N 1 2 264.351 -1.620 20 0 CAADLO Cn1c[nH+]c(CNC(=O)CN2CCN(C)C(=O)C2)c1 ZINC000890109084 582135820 /nfs/dbraw/zinc/13/58/20/582135820.db2.gz AZQQHPSNKDJZPC-UHFFFAOYSA-N 1 2 265.317 -1.190 20 0 CAADLO Cn1c(NCC(C)(C)[NH3+])c(-c2nn[nH]n2)c(=O)n(C)c1=O ZINC000737596383 582137736 /nfs/dbraw/zinc/13/77/36/582137736.db2.gz MUSJAJOOLFYNGF-UHFFFAOYSA-N 1 2 294.319 -1.587 20 0 CAADLO NC(=O)C[NH+]1CCN(c2nccnc2-c2nn[nH]n2)CC1 ZINC000737752420 582138461 /nfs/dbraw/zinc/13/84/61/582138461.db2.gz FZYBZQNENACFOP-UHFFFAOYSA-N 1 2 289.303 -1.736 20 0 CAADLO CCN(CC)S(=O)(=O)N1CC[NH+](C[C@H](O)CO)CC1 ZINC000839269044 582139883 /nfs/dbraw/zinc/13/98/83/582139883.db2.gz MIZJPWLAOLJONB-NSHDSACASA-N 1 2 295.405 -1.456 20 0 CAADLO CC[NH+]1CCN(C(=O)C(=O)N2CC(=O)N(C)C[C@@H]2C)CC1 ZINC000839334021 582139990 /nfs/dbraw/zinc/13/99/90/582139990.db2.gz TZCISRPLPPRIRK-NSHDSACASA-N 1 2 296.371 -1.160 20 0 CAADLO CN1CCN(C(=S)NCC[NH+]2CCOCC2)CC1=O ZINC000740619260 582140008 /nfs/dbraw/zinc/14/00/08/582140008.db2.gz UBPDWDJGCDYIIV-UHFFFAOYSA-N 1 2 286.401 -1.033 20 0 CAADLO NS(=O)(=O)CC[NH+]1CCN(c2cccnn2)CC1 ZINC000740876358 582140099 /nfs/dbraw/zinc/14/00/99/582140099.db2.gz RMHKIDQMAAZJCI-UHFFFAOYSA-N 1 2 271.346 -1.113 20 0 CAADLO C[S@@](=O)CC[NH+]1CCN(C(=O)[C@H]2COCCO2)CC1 ZINC000741141750 582140164 /nfs/dbraw/zinc/14/01/64/582140164.db2.gz IDYZTLCYKJCGDX-NSPYISDASA-N 1 2 290.385 -1.076 20 0 CAADLO CCOC(=O)[C@H]1C[N@H+](CCC(=O)NC(N)=O)CCO1 ZINC000741249337 582140336 /nfs/dbraw/zinc/14/03/36/582140336.db2.gz WOMUVMZGBRDQQX-MRVPVSSYSA-N 1 2 273.289 -1.165 20 0 CAADLO CCOC(=O)[C@H]1C[N@@H+](CCC(=O)NC(N)=O)CCO1 ZINC000741249337 582140337 /nfs/dbraw/zinc/14/03/37/582140337.db2.gz WOMUVMZGBRDQQX-MRVPVSSYSA-N 1 2 273.289 -1.165 20 0 CAADLO CCOC(=O)[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)CCO1 ZINC000741247401 582140340 /nfs/dbraw/zinc/14/03/40/582140340.db2.gz OQRZJODBYODISV-VIFPVBQESA-N 1 2 285.300 -1.198 20 0 CAADLO CCOC(=O)[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)CCO1 ZINC000741247401 582140341 /nfs/dbraw/zinc/14/03/41/582140341.db2.gz OQRZJODBYODISV-VIFPVBQESA-N 1 2 285.300 -1.198 20 0 CAADLO O=C(C[N@@H+]1CCC2(C1)OCCO2)N1CCNC(=O)C1 ZINC000741778540 582140544 /nfs/dbraw/zinc/14/05/44/582140544.db2.gz ATVLDLYYUHDVQE-UHFFFAOYSA-N 1 2 269.301 -1.606 20 0 CAADLO O=C(C[N@H+]1CCC2(C1)OCCO2)N1CCNC(=O)C1 ZINC000741778540 582140546 /nfs/dbraw/zinc/14/05/46/582140546.db2.gz ATVLDLYYUHDVQE-UHFFFAOYSA-N 1 2 269.301 -1.606 20 0 CAADLO CC[N@@H+]1CCO[C@H](C(=O)NCCS(C)(=O)=O)C1 ZINC000742246403 582140671 /nfs/dbraw/zinc/14/06/71/582140671.db2.gz IXEPZCUVDHVGSH-VIFPVBQESA-N 1 2 264.347 -1.132 20 0 CAADLO CC[N@H+]1CCO[C@H](C(=O)NCCS(C)(=O)=O)C1 ZINC000742246403 582140672 /nfs/dbraw/zinc/14/06/72/582140672.db2.gz IXEPZCUVDHVGSH-VIFPVBQESA-N 1 2 264.347 -1.132 20 0 CAADLO C[N@@H+]1CCCC[C@H]1C(=O)OCC(=O)N1CCNC(=O)C1 ZINC000745079203 582141176 /nfs/dbraw/zinc/14/11/76/582141176.db2.gz JEEPNSAAXSMXBO-JTQLQIEISA-N 1 2 283.328 -1.028 20 0 CAADLO C[N@H+]1CCCC[C@H]1C(=O)OCC(=O)N1CCNC(=O)C1 ZINC000745079203 582141177 /nfs/dbraw/zinc/14/11/77/582141177.db2.gz JEEPNSAAXSMXBO-JTQLQIEISA-N 1 2 283.328 -1.028 20 0 CAADLO N=C1NC(=O)[C@H](CC(=O)NCC[NH+]2CCOCC2)S1 ZINC000745415741 582141320 /nfs/dbraw/zinc/14/13/20/582141320.db2.gz WANSWCJYBGHUSU-QMMMGPOBSA-N 1 2 286.357 -1.009 20 0 CAADLO C[C@@H]1C[N@H+](CCNC(=O)NC(CO)CO)CCO1 ZINC000745791902 582141440 /nfs/dbraw/zinc/14/14/40/582141440.db2.gz NJBKDKAXGWLBKL-SECBINFHSA-N 1 2 261.322 -1.641 20 0 CAADLO C[C@@H]1C[N@@H+](CCNC(=O)NC(CO)CO)CCO1 ZINC000745791902 582141441 /nfs/dbraw/zinc/14/14/41/582141441.db2.gz NJBKDKAXGWLBKL-SECBINFHSA-N 1 2 261.322 -1.641 20 0 CAADLO O=C(CNC(=O)c1ncccn1)NCC[NH+]1CCOCC1 ZINC000746248823 582141561 /nfs/dbraw/zinc/14/15/61/582141561.db2.gz MTXWDOYFBCYDQV-UHFFFAOYSA-N 1 2 293.327 -1.345 20 0 CAADLO C[N@@H+]1CCO[C@H](C(=O)N2CCO[C@H](c3nn[nH]n3)C2)C1 ZINC000746236646 582141609 /nfs/dbraw/zinc/14/16/09/582141609.db2.gz KYEOBYJGKWHPBK-IUCAKERBSA-N 1 2 282.304 -1.570 20 0 CAADLO C[N@H+]1CCO[C@H](C(=O)N2CCO[C@H](c3nn[nH]n3)C2)C1 ZINC000746236646 582141611 /nfs/dbraw/zinc/14/16/11/582141611.db2.gz KYEOBYJGKWHPBK-IUCAKERBSA-N 1 2 282.304 -1.570 20 0 CAADLO CCNS(=O)(=O)CCNC(=O)Cn1cc[nH+]c1 ZINC000746243821 582141683 /nfs/dbraw/zinc/14/16/83/582141683.db2.gz PQTRRIVPYYUBSA-UHFFFAOYSA-N 1 2 260.319 -1.061 20 0 CAADLO CN(C)C(=O)CNC(=S)NC[C@H]1C[NH+]2CCN1CC2 ZINC000746545066 582141738 /nfs/dbraw/zinc/14/17/38/582141738.db2.gz PRHYBJXLXVXVHC-JTQLQIEISA-N 1 2 285.417 -1.462 20 0 CAADLO CC(C)NC(=O)CNC(=S)NC[C@H]1C[NH+]2CCN1CC2 ZINC000746545053 582141741 /nfs/dbraw/zinc/14/17/41/582141741.db2.gz PJTOFDKKLDNHRO-NSHDSACASA-N 1 2 299.444 -1.025 20 0 CAADLO Cn1cc(C(=O)OCC[NH+]2CCOCC2)c(=O)n(C)c1=O ZINC000747702316 582142006 /nfs/dbraw/zinc/14/20/06/582142006.db2.gz IJNWWWGPEUBREO-UHFFFAOYSA-N 1 2 297.311 -1.427 20 0 CAADLO O=C(Cn1ccc(=O)[nH]c1=O)OCC[NH+]1CCOCC1 ZINC000747684148 582142014 /nfs/dbraw/zinc/14/20/14/582142014.db2.gz HSQJYTPILHQBAM-UHFFFAOYSA-N 1 2 283.284 -1.176 20 0 CAADLO CC[N@@H+]1CCO[C@@H](C(=O)OCC(=O)N2CCNC(=O)C2)C1 ZINC000748462923 582142483 /nfs/dbraw/zinc/14/24/83/582142483.db2.gz ZUIPMTYUUJBVOE-SNVBAGLBSA-N 1 2 299.327 -1.791 20 0 CAADLO CC[N@H+]1CCO[C@@H](C(=O)OCC(=O)N2CCNC(=O)C2)C1 ZINC000748462923 582142486 /nfs/dbraw/zinc/14/24/86/582142486.db2.gz ZUIPMTYUUJBVOE-SNVBAGLBSA-N 1 2 299.327 -1.791 20 0 CAADLO CC[N@@H+]1CCO[C@@H](C(=O)OCC(=O)NC(N)=O)C1 ZINC000748454064 582142504 /nfs/dbraw/zinc/14/25/04/582142504.db2.gz BOWJAOFAJFZBSN-SSDOTTSWSA-N 1 2 259.262 -1.555 20 0 CAADLO CC[N@H+]1CCO[C@@H](C(=O)OCC(=O)NC(N)=O)C1 ZINC000748454064 582142505 /nfs/dbraw/zinc/14/25/05/582142505.db2.gz BOWJAOFAJFZBSN-SSDOTTSWSA-N 1 2 259.262 -1.555 20 0 CAADLO CC[N@@H+]1CCO[C@@H](C(=O)OCC(=O)N2CCNC2=O)C1 ZINC000748460973 582142512 /nfs/dbraw/zinc/14/25/12/582142512.db2.gz UCHLRPSTHGAILT-SECBINFHSA-N 1 2 285.300 -1.198 20 0 CAADLO CC[N@H+]1CCO[C@@H](C(=O)OCC(=O)N2CCNC2=O)C1 ZINC000748460973 582142513 /nfs/dbraw/zinc/14/25/13/582142513.db2.gz UCHLRPSTHGAILT-SECBINFHSA-N 1 2 285.300 -1.198 20 0 CAADLO CC[N@@H+]1CCO[C@H](C(=O)O[C@H](C)C(=O)NC(N)=O)C1 ZINC000748458720 582142531 /nfs/dbraw/zinc/14/25/31/582142531.db2.gz OAFOLPOBKCCCMD-SFYZADRCSA-N 1 2 273.289 -1.166 20 0 CAADLO CC[N@H+]1CCO[C@H](C(=O)O[C@H](C)C(=O)NC(N)=O)C1 ZINC000748458720 582142532 /nfs/dbraw/zinc/14/25/32/582142532.db2.gz OAFOLPOBKCCCMD-SFYZADRCSA-N 1 2 273.289 -1.166 20 0 CAADLO CC[N@@H+]1CCO[C@H](C(=O)OCC(=O)N2CCNC(=O)C2)C1 ZINC000748462916 582142539 /nfs/dbraw/zinc/14/25/39/582142539.db2.gz ZUIPMTYUUJBVOE-JTQLQIEISA-N 1 2 299.327 -1.791 20 0 CAADLO CC[N@H+]1CCO[C@H](C(=O)OCC(=O)N2CCNC(=O)C2)C1 ZINC000748462916 582142540 /nfs/dbraw/zinc/14/25/40/582142540.db2.gz ZUIPMTYUUJBVOE-JTQLQIEISA-N 1 2 299.327 -1.791 20 0 CAADLO CC[N@@H+]1CCO[C@H](C(=O)OCC(=O)N2CCNC2=O)C1 ZINC000748460980 582142555 /nfs/dbraw/zinc/14/25/55/582142555.db2.gz UCHLRPSTHGAILT-VIFPVBQESA-N 1 2 285.300 -1.198 20 0 CAADLO CC[N@H+]1CCO[C@H](C(=O)OCC(=O)N2CCNC2=O)C1 ZINC000748460980 582142556 /nfs/dbraw/zinc/14/25/56/582142556.db2.gz UCHLRPSTHGAILT-VIFPVBQESA-N 1 2 285.300 -1.198 20 0 CAADLO COC(=O)CNC(=O)C[N@@H+]1CCC2(C1)OCCO2 ZINC000749257998 582142646 /nfs/dbraw/zinc/14/26/46/582142646.db2.gz IBOZVVBWSSGNKF-UHFFFAOYSA-N 1 2 258.274 -1.276 20 0 CAADLO COC(=O)CNC(=O)C[N@H+]1CCC2(C1)OCCO2 ZINC000749257998 582142648 /nfs/dbraw/zinc/14/26/48/582142648.db2.gz IBOZVVBWSSGNKF-UHFFFAOYSA-N 1 2 258.274 -1.276 20 0 CAADLO O=C(C[N@@H+]1CCCC2(C1)OCCO2)N1CCNC(=O)C1 ZINC000749571879 582142806 /nfs/dbraw/zinc/14/28/06/582142806.db2.gz QMRGRYXCIBQEKC-UHFFFAOYSA-N 1 2 283.328 -1.216 20 0 CAADLO O=C(C[N@H+]1CCCC2(C1)OCCO2)N1CCNC(=O)C1 ZINC000749571879 582142807 /nfs/dbraw/zinc/14/28/07/582142807.db2.gz QMRGRYXCIBQEKC-UHFFFAOYSA-N 1 2 283.328 -1.216 20 0 CAADLO O=C1OCCN1CCC[N@@H+]1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC000750606023 582142922 /nfs/dbraw/zinc/14/29/22/582142922.db2.gz IMBXZAQSGIUBMI-JTQLQIEISA-N 1 2 296.327 -1.529 20 0 CAADLO O=C1OCCN1CCC[N@H+]1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC000750606023 582142923 /nfs/dbraw/zinc/14/29/23/582142923.db2.gz IMBXZAQSGIUBMI-JTQLQIEISA-N 1 2 296.327 -1.529 20 0 CAADLO CNC(=O)[C@@H](C)NC(=S)NCC[NH+]1CCOCC1 ZINC000751919808 582143749 /nfs/dbraw/zinc/14/37/49/582143749.db2.gz CQOBPEQMQUMFEX-SECBINFHSA-N 1 2 274.390 -1.083 20 0 CAADLO CCN1C(=O)[C@@H]2C[N@H+](CCS(C)(=O)=O)CCN2C1=O ZINC000752094529 582143751 /nfs/dbraw/zinc/14/37/51/582143751.db2.gz MLPMNDODJWTZGO-VIFPVBQESA-N 1 2 289.357 -1.001 20 0 CAADLO CCN1C(=O)[C@@H]2C[N@@H+](CCS(C)(=O)=O)CCN2C1=O ZINC000752094529 582143753 /nfs/dbraw/zinc/14/37/53/582143753.db2.gz MLPMNDODJWTZGO-VIFPVBQESA-N 1 2 289.357 -1.001 20 0 CAADLO N=C1NC(=O)[C@@H](CC(=O)N2CC[NH+](CCO)CC2)S1 ZINC000755144807 582144929 /nfs/dbraw/zinc/14/49/29/582144929.db2.gz CKSSWFAIWXYTAS-MRVPVSSYSA-N 1 2 286.357 -1.321 20 0 CAADLO C=CC(=O)NCCC(=O)N(CCO)CC[NH+]1CCOCC1 ZINC000757103365 582145383 /nfs/dbraw/zinc/14/53/83/582145383.db2.gz AWOBLFFOSYKLBF-UHFFFAOYSA-N 1 2 299.371 -1.168 20 0 CAADLO CNC(=O)[C@@H](O)CNc1[nH+]cnc2c1cnn2C ZINC000758113461 582145804 /nfs/dbraw/zinc/14/58/04/582145804.db2.gz ICWDOZIANAONLR-ZETCQYMHSA-N 1 2 250.262 -1.118 20 0 CAADLO CCC[C@@H](NC(N)=O)C(=O)N1CCC[N@H+](CC(N)=O)CC1 ZINC000759784221 582147125 /nfs/dbraw/zinc/14/71/25/582147125.db2.gz QHBINLGZSZRCOU-SNVBAGLBSA-N 1 2 299.375 -1.157 20 0 CAADLO CCC[C@@H](NC(N)=O)C(=O)N1CCC[N@@H+](CC(N)=O)CC1 ZINC000759784221 582147128 /nfs/dbraw/zinc/14/71/28/582147128.db2.gz QHBINLGZSZRCOU-SNVBAGLBSA-N 1 2 299.375 -1.157 20 0 CAADLO COC(C[N@H+](CCCO)CC(=O)N1CCNC1=O)OC ZINC000759867041 582147173 /nfs/dbraw/zinc/14/71/73/582147173.db2.gz JLONSVVSDYEHLM-UHFFFAOYSA-N 1 2 289.332 -1.159 20 0 CAADLO COC(C[N@@H+](CCCO)CC(=O)N1CCNC1=O)OC ZINC000759867041 582147175 /nfs/dbraw/zinc/14/71/75/582147175.db2.gz JLONSVVSDYEHLM-UHFFFAOYSA-N 1 2 289.332 -1.159 20 0 CAADLO CCOC(=O)[C@H]1NC(=O)N(C[C@@H]2CN(C)CC[N@@H+]2C)C1=O ZINC000761270113 582147816 /nfs/dbraw/zinc/14/78/16/582147816.db2.gz CJFWNDRLGFKGMA-UWVGGRQHSA-N 1 2 298.343 -1.284 20 0 CAADLO CCOC(=O)[C@H]1NC(=O)N(C[C@@H]2CN(C)CC[N@H+]2C)C1=O ZINC000761270113 582147817 /nfs/dbraw/zinc/14/78/17/582147817.db2.gz CJFWNDRLGFKGMA-UWVGGRQHSA-N 1 2 298.343 -1.284 20 0 CAADLO CCOC(=O)[C@@H]1NC(=O)N(C[C@@H]2CN(C)CC[N@@H+]2C)C1=O ZINC000761270119 582147850 /nfs/dbraw/zinc/14/78/50/582147850.db2.gz CJFWNDRLGFKGMA-VHSXEESVSA-N 1 2 298.343 -1.284 20 0 CAADLO CCOC(=O)[C@@H]1NC(=O)N(C[C@@H]2CN(C)CC[N@H+]2C)C1=O ZINC000761270119 582147851 /nfs/dbraw/zinc/14/78/51/582147851.db2.gz CJFWNDRLGFKGMA-VHSXEESVSA-N 1 2 298.343 -1.284 20 0 CAADLO NS(=O)(=O)N1CC[NH+](C[C@@H]2CC3(CC3)C(=O)O2)CC1 ZINC000763687608 582148601 /nfs/dbraw/zinc/14/86/01/582148601.db2.gz DGUOCWNAKVWLES-VIFPVBQESA-N 1 2 289.357 -1.097 20 0 CAADLO NS(=O)(=O)N1CC[NH+](C[C@H]2CC3(CC3)C(=O)O2)CC1 ZINC000763687607 582148624 /nfs/dbraw/zinc/14/86/24/582148624.db2.gz DGUOCWNAKVWLES-SECBINFHSA-N 1 2 289.357 -1.097 20 0 CAADLO CC[N@H+](CC(=O)NC)[C@@H](C)C(=O)NCC(=O)OC ZINC000764200973 582149045 /nfs/dbraw/zinc/14/90/45/582149045.db2.gz DFMWBMIUJGXEQU-QMMMGPOBSA-N 1 2 259.306 -1.268 20 0 CAADLO CC[N@@H+](CC(=O)NC)[C@@H](C)C(=O)NCC(=O)OC ZINC000764200973 582149048 /nfs/dbraw/zinc/14/90/48/582149048.db2.gz DFMWBMIUJGXEQU-QMMMGPOBSA-N 1 2 259.306 -1.268 20 0 CAADLO CS(=O)(=O)N[C@@H]1CC[N@@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC000765966792 582150335 /nfs/dbraw/zinc/15/03/35/582150335.db2.gz VIMQIWSORPNQNF-HTQZYQBOSA-N 1 2 275.330 -1.585 20 0 CAADLO CS(=O)(=O)N[C@@H]1CC[N@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC000765966792 582150336 /nfs/dbraw/zinc/15/03/36/582150336.db2.gz VIMQIWSORPNQNF-HTQZYQBOSA-N 1 2 275.330 -1.585 20 0 CAADLO CS(=O)(=O)N[C@@H]1CC[N@@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC000765966808 582150347 /nfs/dbraw/zinc/15/03/47/582150347.db2.gz VIMQIWSORPNQNF-SFYZADRCSA-N 1 2 275.330 -1.585 20 0 CAADLO CS(=O)(=O)N[C@@H]1CC[N@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC000765966808 582150348 /nfs/dbraw/zinc/15/03/48/582150348.db2.gz VIMQIWSORPNQNF-SFYZADRCSA-N 1 2 275.330 -1.585 20 0 CAADLO CS(=O)(=O)N[C@H]1CC[N@@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC000765966804 582150379 /nfs/dbraw/zinc/15/03/79/582150379.db2.gz VIMQIWSORPNQNF-JGVFFNPUSA-N 1 2 275.330 -1.585 20 0 CAADLO CS(=O)(=O)N[C@H]1CC[N@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC000765966804 582150380 /nfs/dbraw/zinc/15/03/80/582150380.db2.gz VIMQIWSORPNQNF-JGVFFNPUSA-N 1 2 275.330 -1.585 20 0 CAADLO COCC(=O)N1CC[NH+]([C@H]2CCC(=O)NC2=O)CC1 ZINC000765965919 582150392 /nfs/dbraw/zinc/15/03/92/582150392.db2.gz RRPQPJSGAYRBIX-VIFPVBQESA-N 1 2 269.301 -1.418 20 0 CAADLO CS(=O)(=O)N[C@H]1CC[N@@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC000765966810 582150394 /nfs/dbraw/zinc/15/03/94/582150394.db2.gz VIMQIWSORPNQNF-YUMQZZPRSA-N 1 2 275.330 -1.585 20 0 CAADLO CS(=O)(=O)N[C@H]1CC[N@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC000765966810 582150395 /nfs/dbraw/zinc/15/03/95/582150395.db2.gz VIMQIWSORPNQNF-YUMQZZPRSA-N 1 2 275.330 -1.585 20 0 CAADLO COC(=O)/C(C)=C\C[N@@H+]1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC000766095808 582150533 /nfs/dbraw/zinc/15/05/33/582150533.db2.gz SDQHDOKXPBGLGT-KSXVILFYSA-N 1 2 281.312 -1.252 20 0 CAADLO COC(=O)/C(C)=C\C[N@H+]1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC000766095808 582150534 /nfs/dbraw/zinc/15/05/34/582150534.db2.gz SDQHDOKXPBGLGT-KSXVILFYSA-N 1 2 281.312 -1.252 20 0 CAADLO C[C@H](O)C(=O)N1CC[NH+](CCN2CCOC2=O)CC1 ZINC000766269184 582150805 /nfs/dbraw/zinc/15/08/05/582150805.db2.gz WKJBVSXKQDTHAK-JTQLQIEISA-N 1 2 271.317 -1.036 20 0 CAADLO CCS(=O)(=O)NCC(=O)OCC[NH+]1CCOCC1 ZINC000767394552 582151347 /nfs/dbraw/zinc/15/13/47/582151347.db2.gz BRTTZRUCTUJNTD-UHFFFAOYSA-N 1 2 280.346 -1.199 20 0 CAADLO O=C(CN1CC(=O)NC1=O)OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000767535072 582151410 /nfs/dbraw/zinc/15/14/10/582151410.db2.gz AOMCTDJKYMDHCS-AOOOYVTPSA-N 1 2 297.311 -1.055 20 0 CAADLO O=C(CN1CC(=O)NC1=O)OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000767535072 582151412 /nfs/dbraw/zinc/15/14/12/582151412.db2.gz AOMCTDJKYMDHCS-AOOOYVTPSA-N 1 2 297.311 -1.055 20 0 CAADLO O=C(CO)N1CC[NH+](CCCN2CCOC2=O)CC1 ZINC000767522185 582151475 /nfs/dbraw/zinc/15/14/75/582151475.db2.gz SRTYKCTXIIPXOB-UHFFFAOYSA-N 1 2 271.317 -1.035 20 0 CAADLO O=C(CO)N1CC[NH+](CCN2CCOC2=O)CC1 ZINC000767518633 582151513 /nfs/dbraw/zinc/15/15/13/582151513.db2.gz JJHPIIYHCRDMOC-UHFFFAOYSA-N 1 2 257.290 -1.425 20 0 CAADLO Cn1cnn(CC(=O)OCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)c1=O ZINC000767582976 582151536 /nfs/dbraw/zinc/15/15/36/582151536.db2.gz GHYDXKIQPFSYME-PHIMTYICSA-N 1 2 296.327 -1.012 20 0 CAADLO Cn1cnn(CC(=O)OCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)c1=O ZINC000767582976 582151537 /nfs/dbraw/zinc/15/15/37/582151537.db2.gz GHYDXKIQPFSYME-PHIMTYICSA-N 1 2 296.327 -1.012 20 0 CAADLO C[N@@H+]1CCO[C@H](C(=O)N2CCOC[C@@H]2CCO)C1 ZINC000769053464 582151862 /nfs/dbraw/zinc/15/18/62/582151862.db2.gz GFSCDJVPIDDVAQ-QWRGUYRKSA-N 1 2 258.318 -1.073 20 0 CAADLO C[N@H+]1CCO[C@H](C(=O)N2CCOC[C@@H]2CCO)C1 ZINC000769053464 582151863 /nfs/dbraw/zinc/15/18/63/582151863.db2.gz GFSCDJVPIDDVAQ-QWRGUYRKSA-N 1 2 258.318 -1.073 20 0 CAADLO Cn1ccnc1C(=O)NCCC[N@@H+]1CCNC(=O)C1 ZINC000769260890 582151988 /nfs/dbraw/zinc/15/19/88/582151988.db2.gz QESIETFSACKYBF-UHFFFAOYSA-N 1 2 265.317 -1.028 20 0 CAADLO Cn1ccnc1C(=O)NCCC[N@H+]1CCNC(=O)C1 ZINC000769260890 582151989 /nfs/dbraw/zinc/15/19/89/582151989.db2.gz QESIETFSACKYBF-UHFFFAOYSA-N 1 2 265.317 -1.028 20 0 CAADLO CN1C(=O)CN(NC(=O)[C@H]2C[N@H+](C)CCO2)C1=O ZINC000770536469 582152504 /nfs/dbraw/zinc/15/25/04/582152504.db2.gz JFGYRFDWNCUDLR-SSDOTTSWSA-N 1 2 256.262 -1.758 20 0 CAADLO CN1C(=O)CN(NC(=O)[C@H]2C[N@@H+](C)CCO2)C1=O ZINC000770536469 582152506 /nfs/dbraw/zinc/15/25/06/582152506.db2.gz JFGYRFDWNCUDLR-SSDOTTSWSA-N 1 2 256.262 -1.758 20 0 CAADLO Cn1nnnc1CCNC(=S)NCC[NH+]1CCOCC1 ZINC000771539425 582152827 /nfs/dbraw/zinc/15/28/27/582152827.db2.gz NAIPRKMZEKVHJK-UHFFFAOYSA-N 1 2 299.404 -1.451 20 0 CAADLO CN1C(=O)C(=O)N(CC(=O)OCCn2cc[nH+]c2)C1=O ZINC000771960538 582152946 /nfs/dbraw/zinc/15/29/46/582152946.db2.gz OEDMSSJVVWNDHX-UHFFFAOYSA-N 1 2 280.240 -1.153 20 0 CAADLO CC[N@@H+]1CCO[C@H](C(=O)OCc2nc(N)nc(N)n2)C1 ZINC000805473074 582153732 /nfs/dbraw/zinc/15/37/32/582153732.db2.gz IYHWUVIDCNJMSE-ZETCQYMHSA-N 1 2 282.304 -1.200 20 0 CAADLO CC[N@H+]1CCO[C@H](C(=O)OCc2nc(N)nc(N)n2)C1 ZINC000805473074 582153733 /nfs/dbraw/zinc/15/37/33/582153733.db2.gz IYHWUVIDCNJMSE-ZETCQYMHSA-N 1 2 282.304 -1.200 20 0 CAADLO CC[N@@H+]1CCO[C@@H](C(=O)OCc2nc(N)nc(N)n2)C1 ZINC000805473073 582153735 /nfs/dbraw/zinc/15/37/35/582153735.db2.gz IYHWUVIDCNJMSE-SSDOTTSWSA-N 1 2 282.304 -1.200 20 0 CAADLO CC[N@H+]1CCO[C@@H](C(=O)OCc2nc(N)nc(N)n2)C1 ZINC000805473073 582153736 /nfs/dbraw/zinc/15/37/36/582153736.db2.gz IYHWUVIDCNJMSE-SSDOTTSWSA-N 1 2 282.304 -1.200 20 0 CAADLO CC[N@@H+]1CCO[C@@H](C(=O)OCCNS(C)(=O)=O)C1 ZINC000805470663 582153744 /nfs/dbraw/zinc/15/37/44/582153744.db2.gz VMTBQNWKCHWCKP-SECBINFHSA-N 1 2 280.346 -1.201 20 0 CAADLO CC[N@H+]1CCO[C@@H](C(=O)OCCNS(C)(=O)=O)C1 ZINC000805470663 582153745 /nfs/dbraw/zinc/15/37/45/582153745.db2.gz VMTBQNWKCHWCKP-SECBINFHSA-N 1 2 280.346 -1.201 20 0 CAADLO CC[N@@H+]1CCO[C@H](C(=O)OCc2nnnn2C)C1 ZINC000805474351 582153841 /nfs/dbraw/zinc/15/38/41/582153841.db2.gz AMKHFXZHEBVEIR-QMMMGPOBSA-N 1 2 255.278 -1.026 20 0 CAADLO CC[N@H+]1CCO[C@H](C(=O)OCc2nnnn2C)C1 ZINC000805474351 582153842 /nfs/dbraw/zinc/15/38/42/582153842.db2.gz AMKHFXZHEBVEIR-QMMMGPOBSA-N 1 2 255.278 -1.026 20 0 CAADLO CC[N@@H+]1CCO[C@H](C(=O)OCC(=O)NCC(=O)OC)C1 ZINC000805475446 582153927 /nfs/dbraw/zinc/15/39/27/582153927.db2.gz QOGABROSEVEYCU-VIFPVBQESA-N 1 2 288.300 -1.461 20 0 CAADLO CC[N@H+]1CCO[C@H](C(=O)OCC(=O)NCC(=O)OC)C1 ZINC000805475446 582153929 /nfs/dbraw/zinc/15/39/29/582153929.db2.gz QOGABROSEVEYCU-VIFPVBQESA-N 1 2 288.300 -1.461 20 0 CAADLO CC[N@@H+]1CCO[C@H](C(=O)OCCN2C(=O)CNC2=O)C1 ZINC000805475374 582153971 /nfs/dbraw/zinc/15/39/71/582153971.db2.gz OYRTVTQVOSCOMK-VIFPVBQESA-N 1 2 285.300 -1.198 20 0 CAADLO CC[N@H+]1CCO[C@H](C(=O)OCCN2C(=O)CNC2=O)C1 ZINC000805475374 582153973 /nfs/dbraw/zinc/15/39/73/582153973.db2.gz OYRTVTQVOSCOMK-VIFPVBQESA-N 1 2 285.300 -1.198 20 0 CAADLO C=CC(=O)NCCC(=O)N1CC[NH+](CC(=O)N(C)C)CC1 ZINC000773258480 582154049 /nfs/dbraw/zinc/15/40/49/582154049.db2.gz ADHVMTQYEJMPET-UHFFFAOYSA-N 1 2 296.371 -1.089 20 0 CAADLO CC[N@@H+]1CCO[C@H](C(=O)OCc2nnn(C)n2)C1 ZINC000805478468 582154068 /nfs/dbraw/zinc/15/40/68/582154068.db2.gz FNYPHALBIJAZOU-QMMMGPOBSA-N 1 2 255.278 -1.026 20 0 CAADLO CC[N@H+]1CCO[C@H](C(=O)OCc2nnn(C)n2)C1 ZINC000805478468 582154070 /nfs/dbraw/zinc/15/40/70/582154070.db2.gz FNYPHALBIJAZOU-QMMMGPOBSA-N 1 2 255.278 -1.026 20 0 CAADLO Cn1cc([C@@H](O)C(=O)N2CC[NH+](CCO)CC2)cn1 ZINC000773770518 582154308 /nfs/dbraw/zinc/15/43/08/582154308.db2.gz GXPNGKNPORLITR-LLVKDONJSA-N 1 2 268.317 -1.410 20 0 CAADLO CON(C)C(=O)C[N@H+](C)CCN1CCCS1(=O)=O ZINC000774642262 582154803 /nfs/dbraw/zinc/15/48/03/582154803.db2.gz LPKWMIMHYIHTJD-UHFFFAOYSA-N 1 2 279.362 -1.027 20 0 CAADLO CON(C)C(=O)C[N@@H+](C)CCN1CCCS1(=O)=O ZINC000774642262 582154805 /nfs/dbraw/zinc/15/48/05/582154805.db2.gz LPKWMIMHYIHTJD-UHFFFAOYSA-N 1 2 279.362 -1.027 20 0 CAADLO CON(C)C(=O)C[N@@H+]1CC[C@H](S(N)(=O)=O)C1 ZINC000774713960 582154968 /nfs/dbraw/zinc/15/49/68/582154968.db2.gz ONAIRHBCFGLIBE-ZETCQYMHSA-N 1 2 251.308 -1.631 20 0 CAADLO CON(C)C(=O)C[N@H+]1CC[C@H](S(N)(=O)=O)C1 ZINC000774713960 582154970 /nfs/dbraw/zinc/15/49/70/582154970.db2.gz ONAIRHBCFGLIBE-ZETCQYMHSA-N 1 2 251.308 -1.631 20 0 CAADLO CON(C)C(=O)C[N@@H+]1CCC[C@@H]1CS(N)(=O)=O ZINC000774681023 582155071 /nfs/dbraw/zinc/15/50/71/582155071.db2.gz HLIZURQLRJGEQR-MRVPVSSYSA-N 1 2 265.335 -1.241 20 0 CAADLO CON(C)C(=O)C[N@H+]1CCC[C@@H]1CS(N)(=O)=O ZINC000774681023 582155072 /nfs/dbraw/zinc/15/50/72/582155072.db2.gz HLIZURQLRJGEQR-MRVPVSSYSA-N 1 2 265.335 -1.241 20 0 CAADLO C[C@H]1CN(C)C(=O)CN1C(=O)C(=O)NCCn1cc[nH+]c1 ZINC000775099018 582155199 /nfs/dbraw/zinc/15/51/99/582155199.db2.gz KCMYCCDECJKKPN-JTQLQIEISA-N 1 2 293.327 -1.312 20 0 CAADLO O=C(NCCn1cc[nH+]c1)C(=O)N1CCC2(C1)OCCO2 ZINC000775099448 582155209 /nfs/dbraw/zinc/15/52/09/582155209.db2.gz LJBBOSGYCJUSRD-UHFFFAOYSA-N 1 2 294.311 -1.025 20 0 CAADLO C[C@@H]1C[N@H+](CCNC(=O)N2C[C@@H](O)C[C@H]2CO)CCO1 ZINC000776129654 582155442 /nfs/dbraw/zinc/15/54/42/582155442.db2.gz RGCULHKHMYNKPO-WOPDTQHZSA-N 1 2 287.360 -1.156 20 0 CAADLO C[C@@H]1C[N@@H+](CCNC(=O)N2C[C@@H](O)C[C@H]2CO)CCO1 ZINC000776129654 582155444 /nfs/dbraw/zinc/15/54/44/582155444.db2.gz RGCULHKHMYNKPO-WOPDTQHZSA-N 1 2 287.360 -1.156 20 0 CAADLO CN1C(=O)CN(C[N@@H+]2CC[C@H](NS(C)(=O)=O)C2)C1=O ZINC000776200371 582155463 /nfs/dbraw/zinc/15/54/63/582155463.db2.gz LFKDDRZPCDPUDN-QMMMGPOBSA-N 1 2 290.345 -1.539 20 0 CAADLO CN1C(=O)CN(C[N@H+]2CC[C@H](NS(C)(=O)=O)C2)C1=O ZINC000776200371 582155464 /nfs/dbraw/zinc/15/54/64/582155464.db2.gz LFKDDRZPCDPUDN-QMMMGPOBSA-N 1 2 290.345 -1.539 20 0 CAADLO CS(=O)(=O)N[C@@H]1CC[N@H+](CC2OCCO2)C1 ZINC000777587190 582156167 /nfs/dbraw/zinc/15/61/67/582156167.db2.gz BJZBOHFGKDDJQD-MRVPVSSYSA-N 1 2 250.320 -1.017 20 0 CAADLO CS(=O)(=O)N[C@@H]1CC[N@@H+](CC2OCCO2)C1 ZINC000777587190 582156168 /nfs/dbraw/zinc/15/61/68/582156168.db2.gz BJZBOHFGKDDJQD-MRVPVSSYSA-N 1 2 250.320 -1.017 20 0 CAADLO O=C1NC(=O)N2CC[N@H+](CCN3CCOC3=O)C[C@@H]12 ZINC000778952801 582156985 /nfs/dbraw/zinc/15/69/85/582156985.db2.gz HGALKOLAXJIFKO-QMMMGPOBSA-N 1 2 268.273 -1.325 20 0 CAADLO O=C1NC(=O)N2CC[N@@H+](CCN3CCOC3=O)C[C@@H]12 ZINC000778952801 582156987 /nfs/dbraw/zinc/15/69/87/582156987.db2.gz HGALKOLAXJIFKO-QMMMGPOBSA-N 1 2 268.273 -1.325 20 0 CAADLO NC(=O)C[N@@H+]1CCCN(C(=O)CN2CCOCC2)CC1 ZINC000779174967 582157173 /nfs/dbraw/zinc/15/71/73/582157173.db2.gz FHLKKQBHQCAGQV-UHFFFAOYSA-N 1 2 284.360 -1.662 20 0 CAADLO NC(=O)C[N@H+]1CCCN(C(=O)CN2CCOCC2)CC1 ZINC000779174967 582157175 /nfs/dbraw/zinc/15/71/75/582157175.db2.gz FHLKKQBHQCAGQV-UHFFFAOYSA-N 1 2 284.360 -1.662 20 0 CAADLO COC(=O)NCC(=O)N[C@H](Cn1cc[nH+]c1)C(=O)OC ZINC000779564119 582157446 /nfs/dbraw/zinc/15/74/46/582157446.db2.gz RHWJTBPSXWKNMI-MRVPVSSYSA-N 1 2 284.272 -1.103 20 0 CAADLO COC(=O)NCC(=O)N[C@@H](Cn1cc[nH+]c1)C(=O)OC ZINC000779564122 582157478 /nfs/dbraw/zinc/15/74/78/582157478.db2.gz RHWJTBPSXWKNMI-QMMMGPOBSA-N 1 2 284.272 -1.103 20 0 CAADLO CN(C)c1nc(N)nc(CO[NH+]=C(N)CCO)n1 ZINC000780126262 582157593 /nfs/dbraw/zinc/15/75/93/582157593.db2.gz WWIKQZVUHBIJTP-UHFFFAOYSA-N 1 2 255.282 -1.099 20 0 CAADLO CC[C@@H](CO)C(=O)NCC(=O)NCC[NH+]1CCOCC1 ZINC000779779330 582157697 /nfs/dbraw/zinc/15/76/97/582157697.db2.gz VXDQJQVQNOJESA-NSHDSACASA-N 1 2 287.360 -1.431 20 0 CAADLO CC(=O)N1CCN(C(=O)[C@H](C)O[NH+]=C(N)CCO)CC1 ZINC000780127454 582157742 /nfs/dbraw/zinc/15/77/42/582157742.db2.gz BJXMAPMINGYINY-VIFPVBQESA-N 1 2 286.332 -1.054 20 0 CAADLO CCNC(=O)NC(=O)C[N@@H+]1CCCN(C=O)CC1 ZINC000781560052 582158389 /nfs/dbraw/zinc/15/83/89/582158389.db2.gz ZFQNULIIJKIDLS-UHFFFAOYSA-N 1 2 256.306 -1.004 20 0 CAADLO CCNC(=O)NC(=O)C[N@H+]1CCCN(C=O)CC1 ZINC000781560052 582158390 /nfs/dbraw/zinc/15/83/90/582158390.db2.gz ZFQNULIIJKIDLS-UHFFFAOYSA-N 1 2 256.306 -1.004 20 0 CAADLO O=CN1CCC[N@H+](CC(=O)N2CCNC(=O)C2)CC1 ZINC000781563837 582158413 /nfs/dbraw/zinc/15/84/13/582158413.db2.gz VBJCNSVJMXKBOD-UHFFFAOYSA-N 1 2 268.317 -1.891 20 0 CAADLO O=CN1CCC[N@@H+](CC(=O)N2CCNC(=O)C2)CC1 ZINC000781563837 582158414 /nfs/dbraw/zinc/15/84/14/582158414.db2.gz VBJCNSVJMXKBOD-UHFFFAOYSA-N 1 2 268.317 -1.891 20 0 CAADLO COC(C[N@@H+]1CCN2C(=O)C(=O)NC[C@H]2C1)OC ZINC000781897959 582158423 /nfs/dbraw/zinc/15/84/23/582158423.db2.gz DPDCFNXWXSDBMO-QMMMGPOBSA-N 1 2 257.290 -1.752 20 0 CAADLO COC(C[N@H+]1CCN2C(=O)C(=O)NC[C@H]2C1)OC ZINC000781897959 582158424 /nfs/dbraw/zinc/15/84/24/582158424.db2.gz DPDCFNXWXSDBMO-QMMMGPOBSA-N 1 2 257.290 -1.752 20 0 CAADLO COC(C[N@@H+]1CCN2C(=O)C(=O)NC[C@@H]2C1)OC ZINC000781897958 582158441 /nfs/dbraw/zinc/15/84/41/582158441.db2.gz DPDCFNXWXSDBMO-MRVPVSSYSA-N 1 2 257.290 -1.752 20 0 CAADLO COC(C[N@H+]1CCN2C(=O)C(=O)NC[C@@H]2C1)OC ZINC000781897958 582158442 /nfs/dbraw/zinc/15/84/42/582158442.db2.gz DPDCFNXWXSDBMO-MRVPVSSYSA-N 1 2 257.290 -1.752 20 0 CAADLO CNC(=O)[C@@H]1C[N@H+](CCN2CCOC2=O)CCO1 ZINC000782096805 582158542 /nfs/dbraw/zinc/15/85/42/582158542.db2.gz GJHCZMCWPQJEHW-VIFPVBQESA-N 1 2 257.290 -1.115 20 0 CAADLO CNC(=O)[C@@H]1C[N@@H+](CCN2CCOC2=O)CCO1 ZINC000782096805 582158543 /nfs/dbraw/zinc/15/85/43/582158543.db2.gz GJHCZMCWPQJEHW-VIFPVBQESA-N 1 2 257.290 -1.115 20 0 CAADLO COC(C[N@H+](CCCO)CC(=O)NC(N)=O)OC ZINC000782177269 582158547 /nfs/dbraw/zinc/15/85/47/582158547.db2.gz UZCZYBJFRRAFAA-UHFFFAOYSA-N 1 2 263.294 -1.515 20 0 CAADLO COC(C[N@@H+](CCCO)CC(=O)NC(N)=O)OC ZINC000782177269 582158548 /nfs/dbraw/zinc/15/85/48/582158548.db2.gz UZCZYBJFRRAFAA-UHFFFAOYSA-N 1 2 263.294 -1.515 20 0 CAADLO CNC(=O)NC(=O)CC[N@@H+]1CC(=O)N(C)C[C@H]1C ZINC000782596221 582158949 /nfs/dbraw/zinc/15/89/49/582158949.db2.gz OGSRNWYFZRXHEX-MRVPVSSYSA-N 1 2 256.306 -1.005 20 0 CAADLO CNC(=O)NC(=O)CC[N@H+]1CC(=O)N(C)C[C@H]1C ZINC000782596221 582158950 /nfs/dbraw/zinc/15/89/50/582158950.db2.gz OGSRNWYFZRXHEX-MRVPVSSYSA-N 1 2 256.306 -1.005 20 0 CAADLO CC[N@@H+]1CCO[C@H](C(=O)NN2CC(=O)NC2=O)C1 ZINC000783568917 582159346 /nfs/dbraw/zinc/15/93/46/582159346.db2.gz JBCHNJYRAAKHOG-ZETCQYMHSA-N 1 2 256.262 -1.710 20 0 CAADLO CC[N@@H+]1CCO[C@@H](C(=O)NN2CC(=O)NC2=O)C1 ZINC000783568916 582159361 /nfs/dbraw/zinc/15/93/61/582159361.db2.gz JBCHNJYRAAKHOG-SSDOTTSWSA-N 1 2 256.262 -1.710 20 0 CAADLO O=C(OCCO)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000785656214 582160198 /nfs/dbraw/zinc/16/01/98/582160198.db2.gz VXCZEEDSAAJCBB-NSHDSACASA-N 1 2 286.328 -1.297 20 0 CAADLO C[C@@H](O)C[NH+]1CCN(C(=O)c2cnn(C)n2)CC1 ZINC000786101931 582160561 /nfs/dbraw/zinc/16/05/61/582160561.db2.gz AVWRJIMLGGGIBM-SECBINFHSA-N 1 2 253.306 -1.046 20 0 CAADLO CNS(=O)(=O)[C@@H]1CC[N@H+](CN2C[C@@H](OC)CC2=O)C1 ZINC000787227780 582161077 /nfs/dbraw/zinc/16/10/77/582161077.db2.gz YJDVPADVDFDRQG-VHSXEESVSA-N 1 2 291.373 -1.185 20 0 CAADLO CNS(=O)(=O)[C@@H]1CC[N@@H+](CN2C[C@@H](OC)CC2=O)C1 ZINC000787227780 582161079 /nfs/dbraw/zinc/16/10/79/582161079.db2.gz YJDVPADVDFDRQG-VHSXEESVSA-N 1 2 291.373 -1.185 20 0 CAADLO O=C(CNC(=O)C(F)F)NCC[NH+]1CCOCC1 ZINC000787345410 582161289 /nfs/dbraw/zinc/16/12/89/582161289.db2.gz OHAOHHBIGVDKQE-UHFFFAOYSA-N 1 2 265.260 -1.184 20 0 CAADLO C[N@@H+]1CCC[C@@H](NC(=O)C(=O)NCCS(C)(=O)=O)C1 ZINC000788399392 582162061 /nfs/dbraw/zinc/16/20/61/582162061.db2.gz YRECKYQOTAYFPL-SECBINFHSA-N 1 2 291.373 -1.642 20 0 CAADLO C[N@H+]1CCC[C@@H](NC(=O)C(=O)NCCS(C)(=O)=O)C1 ZINC000788399392 582162063 /nfs/dbraw/zinc/16/20/63/582162063.db2.gz YRECKYQOTAYFPL-SECBINFHSA-N 1 2 291.373 -1.642 20 0 CAADLO CON(C)C(=O)C[N@@H+]1CCC[C@]2(C1)NC(=O)NC2=O ZINC000789379222 582162319 /nfs/dbraw/zinc/16/23/19/582162319.db2.gz LUZVUXHTJDOWJX-LLVKDONJSA-N 1 2 270.289 -1.320 20 0 CAADLO CON(C)C(=O)C[N@H+]1CCC[C@]2(C1)NC(=O)NC2=O ZINC000789379222 582162320 /nfs/dbraw/zinc/16/23/20/582162320.db2.gz LUZVUXHTJDOWJX-LLVKDONJSA-N 1 2 270.289 -1.320 20 0 CAADLO COCCONC(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000789341590 582162380 /nfs/dbraw/zinc/16/23/80/582162380.db2.gz GTQIHWLASPQJRJ-LLVKDONJSA-N 1 2 291.348 -1.101 20 0 CAADLO Cc1nn[nH]c1C(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000789994445 582162446 /nfs/dbraw/zinc/16/24/46/582162446.db2.gz WBHWFYMADWSZRU-VIFPVBQESA-N 1 2 250.306 -1.157 20 0 CAADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)CC1OCCO1 ZINC000789991811 582162555 /nfs/dbraw/zinc/16/25/55/582162555.db2.gz GUBUPYXKSIPUMS-LLVKDONJSA-N 1 2 288.344 -1.099 20 0 CAADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)CC1OCCO1 ZINC000789991814 582162559 /nfs/dbraw/zinc/16/25/59/582162559.db2.gz GUBUPYXKSIPUMS-NSHDSACASA-N 1 2 288.344 -1.099 20 0 CAADLO C[N@@H+]1CCO[C@@H](C(=O)NC2(CO)COC(C)(C)OC2)C1 ZINC000791238637 582163234 /nfs/dbraw/zinc/16/32/34/582163234.db2.gz ZYFBQKZUPWNORF-SNVBAGLBSA-N 1 2 288.344 -1.053 20 0 CAADLO C[N@H+]1CCO[C@@H](C(=O)NC2(CO)COC(C)(C)OC2)C1 ZINC000791238637 582163235 /nfs/dbraw/zinc/16/32/35/582163235.db2.gz ZYFBQKZUPWNORF-SNVBAGLBSA-N 1 2 288.344 -1.053 20 0 CAADLO COC(=O)[C@H]1[C@@H]2C[N@@H+](Cc3nc(N)nc(N)n3)C[C@@H]21 ZINC000794963242 582165121 /nfs/dbraw/zinc/16/51/21/582165121.db2.gz CAPSNGBTPQSLCL-BDINMYNLSA-N 1 2 264.289 -1.113 20 0 CAADLO COC(=O)[C@H]1[C@@H]2C[N@H+](Cc3nc(N)nc(N)n3)C[C@@H]21 ZINC000794963242 582165122 /nfs/dbraw/zinc/16/51/22/582165122.db2.gz CAPSNGBTPQSLCL-BDINMYNLSA-N 1 2 264.289 -1.113 20 0 CAADLO COC(=O)CNC(=O)C[N@H+]1C[C@H]2[C@H](C(=O)OC)[C@H]2C1 ZINC000794982130 582165381 /nfs/dbraw/zinc/16/53/81/582165381.db2.gz FJGFUKSNBSFMQE-VROVMSAKSA-N 1 2 270.285 -1.374 20 0 CAADLO COC(=O)CNC(=O)C[N@@H+]1C[C@H]2[C@H](C(=O)OC)[C@H]2C1 ZINC000794982130 582165382 /nfs/dbraw/zinc/16/53/82/582165382.db2.gz FJGFUKSNBSFMQE-VROVMSAKSA-N 1 2 270.285 -1.374 20 0 CAADLO CNS(=O)(=O)[C@H]1CC[N@@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC000799144425 582167078 /nfs/dbraw/zinc/16/70/78/582167078.db2.gz DRTMZUCXRMFCTE-JGVFFNPUSA-N 1 2 275.330 -1.585 20 0 CAADLO CNS(=O)(=O)[C@H]1CC[N@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC000799144425 582167079 /nfs/dbraw/zinc/16/70/79/582167079.db2.gz DRTMZUCXRMFCTE-JGVFFNPUSA-N 1 2 275.330 -1.585 20 0 CAADLO CNS(=O)(=O)[C@@H]1CC[N@@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC000799144382 582167120 /nfs/dbraw/zinc/16/71/20/582167120.db2.gz DRTMZUCXRMFCTE-HTQZYQBOSA-N 1 2 275.330 -1.585 20 0 CAADLO CNS(=O)(=O)[C@@H]1CC[N@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC000799144382 582167121 /nfs/dbraw/zinc/16/71/21/582167121.db2.gz DRTMZUCXRMFCTE-HTQZYQBOSA-N 1 2 275.330 -1.585 20 0 CAADLO CNS(=O)(=O)[C@H]1CCC[N@@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC000799138891 582167182 /nfs/dbraw/zinc/16/71/82/582167182.db2.gz QGSIBDXWFVXURR-IUCAKERBSA-N 1 2 289.357 -1.195 20 0 CAADLO CNS(=O)(=O)[C@H]1CCC[N@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC000799138891 582167184 /nfs/dbraw/zinc/16/71/84/582167184.db2.gz QGSIBDXWFVXURR-IUCAKERBSA-N 1 2 289.357 -1.195 20 0 CAADLO CCNS(=O)(=O)[C@H]1CC[N@@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC000799150753 582167195 /nfs/dbraw/zinc/16/71/95/582167195.db2.gz PRDBPILJIYHBDY-IUCAKERBSA-N 1 2 289.357 -1.195 20 0 CAADLO CCNS(=O)(=O)[C@H]1CC[N@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC000799150753 582167197 /nfs/dbraw/zinc/16/71/97/582167197.db2.gz PRDBPILJIYHBDY-IUCAKERBSA-N 1 2 289.357 -1.195 20 0 CAADLO Cn1nnc(CN2CC[NH+](CC[S@](C)=O)CC2)n1 ZINC000799309320 582167277 /nfs/dbraw/zinc/16/72/77/582167277.db2.gz OCCSTMFSZRHSIL-SFHVURJKSA-N 1 2 272.378 -1.294 20 0 CAADLO COC[C@@H](O)CNC(=S)NCC[NH+]1CCOCC1 ZINC000802717214 582168222 /nfs/dbraw/zinc/16/82/22/582168222.db2.gz SMXCJOVFWZDFKT-JTQLQIEISA-N 1 2 277.390 -1.210 20 0 CAADLO NC(=O)Cn1cc(C(=O)O[C@@H]2CC[N@H+](CCF)C2)nn1 ZINC000802234205 582168237 /nfs/dbraw/zinc/16/82/37/582168237.db2.gz NPRSPQLQDBFQQA-MRVPVSSYSA-N 1 2 285.279 -1.036 20 0 CAADLO NC(=O)Cn1cc(C(=O)O[C@@H]2CC[N@@H+](CCF)C2)nn1 ZINC000802234205 582168238 /nfs/dbraw/zinc/16/82/38/582168238.db2.gz NPRSPQLQDBFQQA-MRVPVSSYSA-N 1 2 285.279 -1.036 20 0 CAADLO COC[C@H](O)CNC(=S)NCC[NH+]1CCOCC1 ZINC000802717215 582168309 /nfs/dbraw/zinc/16/83/09/582168309.db2.gz SMXCJOVFWZDFKT-SNVBAGLBSA-N 1 2 277.390 -1.210 20 0 CAADLO C[C@@H]1CN(C)C(=O)CN1C(=O)C(=O)NCc1[nH+]ccn1C ZINC000804624483 582169001 /nfs/dbraw/zinc/16/90/01/582169001.db2.gz XIIWDAVCQAICIR-SECBINFHSA-N 1 2 293.327 -1.275 20 0 CAADLO Cn1ncc(CNC(=O)NCC[NH+]2CCOCC2)n1 ZINC000804606066 582169024 /nfs/dbraw/zinc/16/90/24/582169024.db2.gz WVQMZNZMELYEFY-UHFFFAOYSA-N 1 2 268.321 -1.054 20 0 CAADLO CCS(=O)(=O)CCNC(=O)C(=O)N(C)CC[NH+](C)C ZINC000804549540 582169041 /nfs/dbraw/zinc/16/90/41/582169041.db2.gz GQTLTMIYRLUGMT-UHFFFAOYSA-N 1 2 293.389 -1.443 20 0 CAADLO COC(=O)[C@@H](Cn1cc[nH+]c1)NC(=O)c1nnc[nH]1 ZINC000807282665 582169276 /nfs/dbraw/zinc/16/92/76/582169276.db2.gz PUDHNKGARLLFQV-SSDOTTSWSA-N 1 2 264.245 -1.027 20 0 CAADLO COC(=O)[C@@H](Cn1cc[nH+]c1)NC(=O)c1ncn[nH]1 ZINC000807282665 582169278 /nfs/dbraw/zinc/16/92/78/582169278.db2.gz PUDHNKGARLLFQV-SSDOTTSWSA-N 1 2 264.245 -1.027 20 0 CAADLO COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)c1nnc[nH]1 ZINC000807282666 582169313 /nfs/dbraw/zinc/16/93/13/582169313.db2.gz PUDHNKGARLLFQV-ZETCQYMHSA-N 1 2 264.245 -1.027 20 0 CAADLO COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)c1ncn[nH]1 ZINC000807282666 582169314 /nfs/dbraw/zinc/16/93/14/582169314.db2.gz PUDHNKGARLLFQV-ZETCQYMHSA-N 1 2 264.245 -1.027 20 0 CAADLO Cn1ncc(CN(CCO)CC[NH+]2CCOCC2)n1 ZINC000809951880 582171395 /nfs/dbraw/zinc/17/13/95/582171395.db2.gz LOOIMSBINIUVMW-UHFFFAOYSA-N 1 2 269.349 -1.058 20 0 CAADLO CN(Cc1cnn(C)n1)C[C@@H](O)C[NH+]1CCOCC1 ZINC000809952745 582171436 /nfs/dbraw/zinc/17/14/36/582171436.db2.gz DWCQROVUNHZLTI-GFCCVEGCSA-N 1 2 269.349 -1.060 20 0 CAADLO CNS(=O)(=O)NC1CC[NH+](CC2OCCO2)CC1 ZINC000812840133 582172154 /nfs/dbraw/zinc/17/21/54/582172154.db2.gz CQFGQBKJPRMWMG-UHFFFAOYSA-N 1 2 279.362 -1.123 20 0 CAADLO C[N@H+]1C[C@H]2[C@@H](CCN2S(=O)(=O)CCS(C)(=O)=O)C1 ZINC000813739844 582172405 /nfs/dbraw/zinc/17/24/05/582172405.db2.gz UQORFXIDMZUVON-UWVGGRQHSA-N 1 2 296.414 -1.003 20 0 CAADLO C[N@@H+]1C[C@H]2[C@@H](CCN2S(=O)(=O)CCS(C)(=O)=O)C1 ZINC000813739844 582172406 /nfs/dbraw/zinc/17/24/06/582172406.db2.gz UQORFXIDMZUVON-UWVGGRQHSA-N 1 2 296.414 -1.003 20 0 CAADLO C[N@@H+]1C[C@H]2CCN(S(=O)(=O)CCS(C)(=O)=O)[C@H]2C1 ZINC000813739846 582172510 /nfs/dbraw/zinc/17/25/10/582172510.db2.gz UQORFXIDMZUVON-ZJUUUORDSA-N 1 2 296.414 -1.003 20 0 CAADLO C[N@H+]1C[C@H]2CCN(S(=O)(=O)CCS(C)(=O)=O)[C@H]2C1 ZINC000813739846 582172511 /nfs/dbraw/zinc/17/25/11/582172511.db2.gz UQORFXIDMZUVON-ZJUUUORDSA-N 1 2 296.414 -1.003 20 0 CAADLO NC(=O)C1=NO[C@H](CNC(=O)NCCn2cc[nH+]c2)C1 ZINC000814188911 582172806 /nfs/dbraw/zinc/17/28/06/582172806.db2.gz XVDIEYFJCNPONX-QMMMGPOBSA-N 1 2 280.288 -1.188 20 0 CAADLO CNC(=O)[C@@H](O)CNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000816329424 582173931 /nfs/dbraw/zinc/17/39/31/582173931.db2.gz NLLIOSZJHWLWOH-NEPJUHHUSA-N 1 2 299.371 -1.147 20 0 CAADLO CNC(=O)[C@@H](O)CNC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000816329424 582173932 /nfs/dbraw/zinc/17/39/32/582173932.db2.gz NLLIOSZJHWLWOH-NEPJUHHUSA-N 1 2 299.371 -1.147 20 0 CAADLO COC(=O)NCC(=O)NC[C@@H]1CN2CC[N@@H+]1CCC2 ZINC000816531291 582174093 /nfs/dbraw/zinc/17/40/93/582174093.db2.gz MNMHVRAMUUPBBF-SNVBAGLBSA-N 1 2 270.333 -1.152 20 0 CAADLO COC(=O)NCC(=O)NC[C@@H]1CN2CC[N@H+]1CCC2 ZINC000816531291 582174094 /nfs/dbraw/zinc/17/40/94/582174094.db2.gz MNMHVRAMUUPBBF-SNVBAGLBSA-N 1 2 270.333 -1.152 20 0 CAADLO O=C(N[C@@H](CO)C[NH+]1CCOCC1)[C@H](O)c1cccnc1 ZINC000820011746 582178648 /nfs/dbraw/zinc/17/86/48/582178648.db2.gz WMMUYUKYFNOBCV-CHWSQXEVSA-N 1 2 295.339 -1.076 20 0 CAADLO CC1(C)CN(C(=O)Cn2cnc(-c3nn[nH]n3)n2)CC[NH2+]1 ZINC000820601706 582180088 /nfs/dbraw/zinc/18/00/88/582180088.db2.gz SEUVVOWRHLUDSL-UHFFFAOYSA-N 1 2 291.319 -1.331 20 0 CAADLO CC(C)NC(=O)C(=O)N1CC[NH+](C[C@H](O)CO)CC1 ZINC000820627824 582180332 /nfs/dbraw/zinc/18/03/32/582180332.db2.gz UAPQDHLFTSMPBD-JTQLQIEISA-N 1 2 273.333 -1.992 20 0 CAADLO COC(OC)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000820680181 582180697 /nfs/dbraw/zinc/18/06/97/582180697.db2.gz FINOPXBIDOTQIM-SNVBAGLBSA-N 1 2 276.333 -1.243 20 0 CAADLO C[C@@]1(C(=O)N(CCO)CC[NH+]2CCOCC2)CCC(=O)N1 ZINC000821098033 582181373 /nfs/dbraw/zinc/18/13/73/582181373.db2.gz OJZDXCKQEBBWFR-AWEZNQCLSA-N 1 2 299.371 -1.192 20 0 CAADLO Cn1cc[nH+]c1N1CC[NH+](CC(=O)NCC(=O)[O-])CC1 ZINC000821305304 582181770 /nfs/dbraw/zinc/18/17/70/582181770.db2.gz WIADPPKETUKSMN-UHFFFAOYSA-N 1 2 281.316 -1.257 20 0 CAADLO COC(=O)C[C@@H]1C(=O)NCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC000821474965 582182351 /nfs/dbraw/zinc/18/23/51/582182351.db2.gz BKYCUDKGGPQLAP-MRVPVSSYSA-N 1 2 280.284 -1.158 20 0 CAADLO C[C@@H](O)[C@@H](CO)NC(=O)/C=C/C[NH+]1CCOCC1 ZINC000822538002 582184268 /nfs/dbraw/zinc/18/42/68/582184268.db2.gz NKWCRYGLJYZJPK-WUNPDAOYSA-N 1 2 258.318 -1.267 20 0 CAADLO C[C@@H](O)[C@@H](CO)NC(=O)/C=C\C[NH+]1CCOCC1 ZINC000822537892 582184270 /nfs/dbraw/zinc/18/42/70/582184270.db2.gz NKWCRYGLJYZJPK-LVUHIJSRSA-N 1 2 258.318 -1.267 20 0 CAADLO O=C(CN1CCOC1=O)N[C@@H](CO)C[NH+]1CCOCC1 ZINC000822672439 582184561 /nfs/dbraw/zinc/18/45/61/582184561.db2.gz WTEWUXCBQIOZRD-SNVBAGLBSA-N 1 2 287.316 -1.752 20 0 CAADLO NC(=O)CC(=O)N1CC[NH+](Cc2cn[nH]c2)CC1 ZINC000823034957 582185045 /nfs/dbraw/zinc/18/50/45/582185045.db2.gz HYENLPWZUBASLS-UHFFFAOYSA-N 1 2 251.290 -1.071 20 0 CAADLO CNC(=O)NCC(=O)N1CC[NH+](Cc2cn[nH]c2)CC1 ZINC000823028981 582185121 /nfs/dbraw/zinc/18/51/21/582185121.db2.gz AIXXUNFEOINYHG-UHFFFAOYSA-N 1 2 280.332 -1.017 20 0 CAADLO C[N@@H+]1CCOC[C@H]1CNC(=O)CN1CCOC1=O ZINC000824981802 582187788 /nfs/dbraw/zinc/18/77/88/582187788.db2.gz BVMFDIVSFVFMRS-SECBINFHSA-N 1 2 257.290 -1.115 20 0 CAADLO C[N@H+]1CCOC[C@H]1CNC(=O)CN1CCOC1=O ZINC000824981802 582187789 /nfs/dbraw/zinc/18/77/89/582187789.db2.gz BVMFDIVSFVFMRS-SECBINFHSA-N 1 2 257.290 -1.115 20 0 CAADLO CN(CC1C[NH+](C)C1)C(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC000825180130 582188161 /nfs/dbraw/zinc/18/81/61/582188161.db2.gz DUKYIGDSCQLKSW-VIFPVBQESA-N 1 2 289.357 -2.080 20 0 CAADLO CN(CC(=O)N1CC[NH+](C)CC1)C(=O)C1=NC(=O)N(C)C1 ZINC000825291828 582188307 /nfs/dbraw/zinc/18/83/07/582188307.db2.gz BUHDSGLWWJZLBW-UHFFFAOYSA-N 1 2 295.343 -1.028 20 0 CAADLO C[NH+](C)C1CN(C(=O)Cn2cnc(-c3nn[nH]n3)n2)C1 ZINC000825854325 582189370 /nfs/dbraw/zinc/18/93/70/582189370.db2.gz AJGOTGVDVSALMH-UHFFFAOYSA-N 1 2 277.292 -1.769 20 0 CAADLO NC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)CC1 ZINC000826074434 582189825 /nfs/dbraw/zinc/18/98/25/582189825.db2.gz AFZVXLZBRGSRNL-QMMMGPOBSA-N 1 2 297.315 -2.396 20 0 CAADLO NC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)CC1 ZINC000826074434 582189827 /nfs/dbraw/zinc/18/98/27/582189827.db2.gz AFZVXLZBRGSRNL-QMMMGPOBSA-N 1 2 297.315 -2.396 20 0 CAADLO NC(=O)C[N@@H+]1CCCN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)CC1 ZINC000826074681 582189860 /nfs/dbraw/zinc/18/98/60/582189860.db2.gz GMVXDEPMLSGTSI-IAZYJMLFSA-N 1 2 267.329 -1.102 20 0 CAADLO NC(=O)C[N@H+]1CCCN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)CC1 ZINC000826074681 582189862 /nfs/dbraw/zinc/18/98/62/582189862.db2.gz GMVXDEPMLSGTSI-IAZYJMLFSA-N 1 2 267.329 -1.102 20 0 CAADLO C[NH+]1CCN(C(=O)Cn2ccnc2-c2nn[nH]n2)CC1 ZINC000826038832 582189892 /nfs/dbraw/zinc/18/98/92/582189892.db2.gz YOCJHUALKWDBII-UHFFFAOYSA-N 1 2 276.304 -1.163 20 0 CAADLO NC(=O)[C@@H]1C[N@H+](Cc2ccnc(-c3nn[nH]n3)c2)CCO1 ZINC000826390425 582190719 /nfs/dbraw/zinc/19/07/19/582190719.db2.gz ZIPAINUDIFVXLU-JTQLQIEISA-N 1 2 289.299 -1.052 20 0 CAADLO NC(=O)[C@@H]1C[N@@H+](Cc2ccnc(-c3nn[nH]n3)c2)CCO1 ZINC000826390425 582190720 /nfs/dbraw/zinc/19/07/20/582190720.db2.gz ZIPAINUDIFVXLU-JTQLQIEISA-N 1 2 289.299 -1.052 20 0 CAADLO CC(=O)N1CCO[C@@H](C(=O)N2CC[N@@H+](C)C[C@H]2CO)C1 ZINC000826706624 582191579 /nfs/dbraw/zinc/19/15/79/582191579.db2.gz BRVLJOOZCKEXOI-NWDGAFQWSA-N 1 2 285.344 -1.631 20 0 CAADLO CC(=O)N1CCO[C@@H](C(=O)N2CC[N@H+](C)C[C@H]2CO)C1 ZINC000826706624 582191580 /nfs/dbraw/zinc/19/15/80/582191580.db2.gz BRVLJOOZCKEXOI-NWDGAFQWSA-N 1 2 285.344 -1.631 20 0 CAADLO CC1=NO[C@H](C(=O)NCC(=O)NCC[NH+]2CCOCC2)C1 ZINC000827261164 582192122 /nfs/dbraw/zinc/19/21/22/582192122.db2.gz WHXVFZYSRNEKCH-NSHDSACASA-N 1 2 298.343 -1.284 20 0 CAADLO CC(=O)N1CCO[C@H](C(=O)NC[C@@H]2COCC[N@H+]2C)C1 ZINC000827422527 582192366 /nfs/dbraw/zinc/19/23/66/582192366.db2.gz DWTHMDCVSUZHFI-NEPJUHHUSA-N 1 2 285.344 -1.320 20 0 CAADLO CC(=O)N1CCO[C@H](C(=O)NC[C@@H]2COCC[N@@H+]2C)C1 ZINC000827422527 582192367 /nfs/dbraw/zinc/19/23/67/582192367.db2.gz DWTHMDCVSUZHFI-NEPJUHHUSA-N 1 2 285.344 -1.320 20 0 CAADLO C[C@@H]1OCCO[C@@H]1C(=O)N1CC[N@H+](C)[C@@H](CO)C1 ZINC000827983794 582193953 /nfs/dbraw/zinc/19/39/53/582193953.db2.gz ULFIUVOMFYLRBU-AXFHLTTASA-N 1 2 258.318 -1.075 20 0 CAADLO C[C@@H]1OCCO[C@@H]1C(=O)N1CC[N@@H+](C)[C@@H](CO)C1 ZINC000827983794 582193954 /nfs/dbraw/zinc/19/39/54/582193954.db2.gz ULFIUVOMFYLRBU-AXFHLTTASA-N 1 2 258.318 -1.075 20 0 CAADLO COC(=O)N1CCC[C@H](NC(=O)CN2CC[NH2+]CC2=O)C1 ZINC000828329245 582194630 /nfs/dbraw/zinc/19/46/30/582194630.db2.gz OUIFGYXLZGJWBI-JTQLQIEISA-N 1 2 298.343 -1.235 20 0 CAADLO COC(=O)N1CCC[C@@H](NC(=O)CN2CC[NH2+]CC2=O)C1 ZINC000828329246 582194648 /nfs/dbraw/zinc/19/46/48/582194648.db2.gz OUIFGYXLZGJWBI-SNVBAGLBSA-N 1 2 298.343 -1.235 20 0 CAADLO C[S@](=O)CC[NH+]1CCN(C(=O)[C@H]2CC(=O)N2)CC1 ZINC000828530271 582195356 /nfs/dbraw/zinc/19/53/56/582195356.db2.gz ICMSRBGSQHYTTN-LZVRBXCZSA-N 1 2 273.358 -1.602 20 0 CAADLO CCN1C(=S)N=NC1CNC(=O)CN1CC[NH2+]CC1=O ZINC000828696681 582195942 /nfs/dbraw/zinc/19/59/42/582195942.db2.gz QTBQDUBVPZIXMN-UHFFFAOYSA-N 1 2 298.372 -1.365 20 0 CAADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)[C@H]1CCCN1C=O ZINC000829806703 582197357 /nfs/dbraw/zinc/19/73/57/582197357.db2.gz RXQFAVQRECWGJY-CHWSQXEVSA-N 1 2 299.371 -1.241 20 0 CAADLO CC[N@@H+]1CCOC[C@H]1C(=O)N1CC(O)(C(=O)OC)C1 ZINC000829960469 582197749 /nfs/dbraw/zinc/19/77/49/582197749.db2.gz AHODDPUCOLRZIC-VIFPVBQESA-N 1 2 272.301 -1.547 20 0 CAADLO CC[N@H+]1CCOC[C@H]1C(=O)N1CC(O)(C(=O)OC)C1 ZINC000829960469 582197750 /nfs/dbraw/zinc/19/77/50/582197750.db2.gz AHODDPUCOLRZIC-VIFPVBQESA-N 1 2 272.301 -1.547 20 0 CAADLO COC(=O)C1(O)CN(C(=O)/C=C/C[NH+]2CCOCC2)C1 ZINC000829968885 582197927 /nfs/dbraw/zinc/19/79/27/582197927.db2.gz DKXQIWAYCCATRQ-NSCUHMNNSA-N 1 2 284.312 -1.379 20 0 CAADLO CC1N=NC(=S)N1CCNC(=O)CN1CC[NH2+]CC1=O ZINC000830338156 582198778 /nfs/dbraw/zinc/19/87/78/582198778.db2.gz UMEQIYITXHBJDM-UHFFFAOYSA-N 1 2 298.372 -1.577 20 0 CAADLO O=CN1CCC[C@@H]1C(=O)N(CCO)CC[NH+]1CCOCC1 ZINC000830637996 582199201 /nfs/dbraw/zinc/19/92/01/582199201.db2.gz YWZPYRGKNZBWRL-CYBMUJFWSA-N 1 2 299.371 -1.240 20 0 CAADLO COC(=O)[C@H]1C[C@H](O)C[N@H+](CCS(C)(=O)=O)C1 ZINC000830892189 582199393 /nfs/dbraw/zinc/19/93/93/582199393.db2.gz PLEVVZRAVPMPDE-IUCAKERBSA-N 1 2 265.331 -1.113 20 0 CAADLO COC(=O)[C@H]1C[C@H](O)C[N@@H+](CCS(C)(=O)=O)C1 ZINC000830892189 582199395 /nfs/dbraw/zinc/19/93/95/582199395.db2.gz PLEVVZRAVPMPDE-IUCAKERBSA-N 1 2 265.331 -1.113 20 0 CAADLO COC(=O)CNC(=O)C[N@@H+]1CC[C@@H]2COC(=O)N[C@H]2C1 ZINC000830959548 582199714 /nfs/dbraw/zinc/19/97/14/582199714.db2.gz NLTSDWMHUOEZAG-BDAKNGLRSA-N 1 2 285.300 -1.294 20 0 CAADLO COC(=O)CNC(=O)C[N@H+]1CC[C@@H]2COC(=O)N[C@H]2C1 ZINC000830959548 582199715 /nfs/dbraw/zinc/19/97/15/582199715.db2.gz NLTSDWMHUOEZAG-BDAKNGLRSA-N 1 2 285.300 -1.294 20 0 CAADLO CNC(=O)NC(=O)C[N@@H+]1CC[C@@H]2COC(=O)N[C@H]2C1 ZINC000830959373 582199731 /nfs/dbraw/zinc/19/97/31/582199731.db2.gz GNWSHXLIQWSALV-SFYZADRCSA-N 1 2 270.289 -1.128 20 0 CAADLO CNC(=O)NC(=O)C[N@H+]1CC[C@@H]2COC(=O)N[C@H]2C1 ZINC000830959373 582199732 /nfs/dbraw/zinc/19/97/32/582199732.db2.gz GNWSHXLIQWSALV-SFYZADRCSA-N 1 2 270.289 -1.128 20 0 CAADLO COC(=O)[C@@H](O)CNC(=O)/C=C/C[NH+]1CCOCC1 ZINC000867070780 582201435 /nfs/dbraw/zinc/20/14/35/582201435.db2.gz TVQYHPZAFWIRQC-PBKGFPTLSA-N 1 2 272.301 -1.475 20 0 CAADLO C[C@H]1CN(C(=O)Cn2[nH]cc3c(=O)ncnc2-3)CC[NH2+]1 ZINC000831611217 582202835 /nfs/dbraw/zinc/20/28/35/582202835.db2.gz LPVUSAQCUOQURU-QMMMGPOBSA-N 1 2 276.300 -1.109 20 0 CAADLO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)NCC(N)=O)C1 ZINC000016336820 582203484 /nfs/dbraw/zinc/20/34/84/582203484.db2.gz HYDMYFHMOMTGJO-SECBINFHSA-N 1 2 271.317 -1.137 20 0 CAADLO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)NCC(N)=O)C1 ZINC000016336820 582203486 /nfs/dbraw/zinc/20/34/86/582203486.db2.gz HYDMYFHMOMTGJO-SECBINFHSA-N 1 2 271.317 -1.137 20 0 CAADLO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)NCC(N)=O)C1 ZINC000016336821 582203500 /nfs/dbraw/zinc/20/35/00/582203500.db2.gz HYDMYFHMOMTGJO-VIFPVBQESA-N 1 2 271.317 -1.137 20 0 CAADLO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)NCC(N)=O)C1 ZINC000016336821 582203502 /nfs/dbraw/zinc/20/35/02/582203502.db2.gz HYDMYFHMOMTGJO-VIFPVBQESA-N 1 2 271.317 -1.137 20 0 CAADLO C[C@H]1C[NH2+]CCN1C(=O)Cn1[nH]cc2c(=O)ncnc1-2 ZINC000832472016 582204520 /nfs/dbraw/zinc/20/45/20/582204520.db2.gz YBIFNBZCYXKPOU-QMMMGPOBSA-N 1 2 276.300 -1.109 20 0 CAADLO C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H](O)CS(C)(=O)=O ZINC000832724358 582205134 /nfs/dbraw/zinc/20/51/34/582205134.db2.gz YVSVIAANSSHEBI-NXEZZACHSA-N 1 2 278.374 -1.008 20 0 CAADLO C[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H](O)CS(C)(=O)=O ZINC000832724358 582205136 /nfs/dbraw/zinc/20/51/36/582205136.db2.gz YVSVIAANSSHEBI-NXEZZACHSA-N 1 2 278.374 -1.008 20 0 CAADLO CONC(=O)CNC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000832767039 582205160 /nfs/dbraw/zinc/20/51/60/582205160.db2.gz SHZQVFWWAZURRU-SECBINFHSA-N 1 2 286.332 -1.810 20 0 CAADLO CC(C)NS(=O)(=O)NCCNC(=O)Cc1[nH]cc[nH+]1 ZINC000834427517 582210388 /nfs/dbraw/zinc/21/03/88/582210388.db2.gz LWWKNICDHLPKTP-UHFFFAOYSA-N 1 2 289.361 -1.099 20 0 CAADLO [NH3+]CC(F)(F)CNC(=O)Cn1[nH]cc2c(=O)ncnc1-2 ZINC000834539524 582211036 /nfs/dbraw/zinc/21/10/36/582211036.db2.gz CFVNCCNIUIVSEK-UHFFFAOYSA-N 1 2 286.242 -1.219 20 0 CAADLO COCCN1CCN(C(=O)[C@@H](O)c2c[nH+]c[nH]2)CC1=O ZINC000867149035 582211589 /nfs/dbraw/zinc/21/15/89/582211589.db2.gz SLVOIKHRYXWHEE-NSHDSACASA-N 1 2 282.300 -1.240 20 0 CAADLO CCOC(=O)[C@@H](CO)NC(=O)/C=C\C[NH+]1CCOCC1 ZINC000867126225 582211605 /nfs/dbraw/zinc/21/16/05/582211605.db2.gz CRHUOLQURLGAAY-DLRQAJBASA-N 1 2 286.328 -1.085 20 0 CAADLO CN(C[C@H](O)CO)C(=O)/C=C/C[NH+]1CCOCC1 ZINC000867155460 582211658 /nfs/dbraw/zinc/21/16/58/582211658.db2.gz YNXHUIBUKSSUCS-VUDBWIFFSA-N 1 2 258.318 -1.314 20 0 CAADLO CC[N@H+](CCO)CCNS(=O)(=O)N=S(C)(C)=O ZINC000867116552 582211674 /nfs/dbraw/zinc/21/16/74/582211674.db2.gz BIABOSSDTOFHHD-UHFFFAOYSA-N 1 2 287.407 -1.137 20 0 CAADLO CC[N@@H+](CCO)CCNS(=O)(=O)N=S(C)(C)=O ZINC000867116552 582211675 /nfs/dbraw/zinc/21/16/75/582211675.db2.gz BIABOSSDTOFHHD-UHFFFAOYSA-N 1 2 287.407 -1.137 20 0 CAADLO CN1C[C@@H](NC(=O)/C=C/C[NH+]2CCOCC2)C(=O)N1 ZINC000867213917 582212005 /nfs/dbraw/zinc/21/20/05/582212005.db2.gz CSFFZEZELLJXHS-VMZHVLLKSA-N 1 2 268.317 -1.664 20 0 CAADLO CN1C[C@H](NC(=O)/C=C/C[NH+]2CCOCC2)C(=O)N1 ZINC000867213829 582212041 /nfs/dbraw/zinc/21/20/41/582212041.db2.gz CSFFZEZELLJXHS-PBKGFPTLSA-N 1 2 268.317 -1.664 20 0 CAADLO C[N@@H+]1CCO[C@H](CS(=O)(=O)N[C@@H]2COC(=O)C2)C1 ZINC000867287515 582212632 /nfs/dbraw/zinc/21/26/32/582212632.db2.gz UJQLPVMQIPVWSC-IUCAKERBSA-N 1 2 278.330 -1.448 20 0 CAADLO C[N@H+]1CCO[C@H](CS(=O)(=O)N[C@@H]2COC(=O)C2)C1 ZINC000867287515 582212633 /nfs/dbraw/zinc/21/26/33/582212633.db2.gz UJQLPVMQIPVWSC-IUCAKERBSA-N 1 2 278.330 -1.448 20 0 CAADLO CC(CO)(CO)NC(=O)/C=C/C[NH+]1CCOCC1 ZINC000867311276 582213402 /nfs/dbraw/zinc/21/34/02/582213402.db2.gz NDXYACSRIGCWII-NSCUHMNNSA-N 1 2 258.318 -1.266 20 0 CAADLO CNC(=O)[C@@H]1CN(C(=O)/C=C/C[NH+]2CCOCC2)CCO1 ZINC000867315607 582213441 /nfs/dbraw/zinc/21/34/41/582213441.db2.gz KSSVQFHZPCYAJM-JDGPPOGSSA-N 1 2 297.355 -1.152 20 0 CAADLO COC(=O)CC(C)(C)NC(=O)CN1CC[NH2+]CC1=O ZINC000843441107 582214303 /nfs/dbraw/zinc/21/43/03/582214303.db2.gz VNQDCMSBFPXDBA-UHFFFAOYSA-N 1 2 271.317 -1.124 20 0 CAADLO C[C@@H]1C[N@H+](CCNC(=O)NC(C)(CO)CO)CCO1 ZINC000844942032 582217300 /nfs/dbraw/zinc/21/73/00/582217300.db2.gz BKSMIVZTLFBPPD-SNVBAGLBSA-N 1 2 275.349 -1.250 20 0 CAADLO C[C@@H]1C[N@@H+](CCNC(=O)NC(C)(CO)CO)CCO1 ZINC000844942032 582217302 /nfs/dbraw/zinc/21/73/02/582217302.db2.gz BKSMIVZTLFBPPD-SNVBAGLBSA-N 1 2 275.349 -1.250 20 0 CAADLO O=C([C@H](O)c1c[nH+]c[nH]1)N1CCN2CCOC[C@@H]2C1 ZINC000867381773 582217722 /nfs/dbraw/zinc/21/77/22/582217722.db2.gz HNQKOQTZFZGSSS-GXSJLCMTSA-N 1 2 266.301 -1.014 20 0 CAADLO O=C([C@H](O)c1c[nH+]c[nH]1)N1CCN2CCOC[C@H]2C1 ZINC000867381782 582217759 /nfs/dbraw/zinc/21/77/59/582217759.db2.gz HNQKOQTZFZGSSS-MWLCHTKSSA-N 1 2 266.301 -1.014 20 0 CAADLO O=C(OCC[NH+]1CCOCC1)[C@@H]1CCS(=O)(=O)N1 ZINC000845373942 582217977 /nfs/dbraw/zinc/21/79/77/582217977.db2.gz YOKBGSRQZQLGIC-VIFPVBQESA-N 1 2 278.330 -1.447 20 0 CAADLO O=C(OCC[NH+]1CCOCC1)[C@H]1CCS(=O)(=O)N1 ZINC000845373941 582217984 /nfs/dbraw/zinc/21/79/84/582217984.db2.gz YOKBGSRQZQLGIC-SECBINFHSA-N 1 2 278.330 -1.447 20 0 CAADLO C[C@@H](C[NH+]1CCOCC1)OC(=O)[C@H]1CCS(=O)(=O)N1 ZINC000845375478 582218134 /nfs/dbraw/zinc/21/81/34/582218134.db2.gz LECXFTJZDYXQTO-VHSXEESVSA-N 1 2 292.357 -1.058 20 0 CAADLO CCONC(=O)CNC(=O)N1CC[N@H+](CCO)C[C@H]1C ZINC000845534294 582218747 /nfs/dbraw/zinc/21/87/47/582218747.db2.gz LIZDMXYRGZFFDX-SNVBAGLBSA-N 1 2 288.348 -1.238 20 0 CAADLO CCONC(=O)CNC(=O)N1CC[N@@H+](CCO)C[C@H]1C ZINC000845534294 582218748 /nfs/dbraw/zinc/21/87/48/582218748.db2.gz LIZDMXYRGZFFDX-SNVBAGLBSA-N 1 2 288.348 -1.238 20 0 CAADLO CCONC(=O)CNC(=O)NCC[N@H+](CC)CCO ZINC000845541299 582219029 /nfs/dbraw/zinc/21/90/29/582219029.db2.gz RNJASFARLRXZHB-UHFFFAOYSA-N 1 2 276.337 -1.333 20 0 CAADLO CCONC(=O)CNC(=O)NCC[N@@H+](CC)CCO ZINC000845541299 582219031 /nfs/dbraw/zinc/21/90/31/582219031.db2.gz RNJASFARLRXZHB-UHFFFAOYSA-N 1 2 276.337 -1.333 20 0 CAADLO C[C@H]1CN(C(=O)C2(S(N)(=O)=O)CC2)CC[N@@H+]1C ZINC000845638838 582219611 /nfs/dbraw/zinc/21/96/11/582219611.db2.gz PCWXFFHRMOVIJA-QMMMGPOBSA-N 1 2 261.347 -1.030 20 0 CAADLO C[C@H]1CN(C(=O)C2(S(N)(=O)=O)CC2)CC[N@H+]1C ZINC000845638838 582219613 /nfs/dbraw/zinc/21/96/13/582219613.db2.gz PCWXFFHRMOVIJA-QMMMGPOBSA-N 1 2 261.347 -1.030 20 0 CAADLO C[N@@H+]1CCO[C@@H](CS(=O)(=O)NC[C@H]2COCO2)C1 ZINC000867395578 582219793 /nfs/dbraw/zinc/21/97/93/582219793.db2.gz MTWAMAKUHYZWMG-VHSXEESVSA-N 1 2 280.346 -1.391 20 0 CAADLO C[N@H+]1CCO[C@@H](CS(=O)(=O)NC[C@H]2COCO2)C1 ZINC000867395578 582219794 /nfs/dbraw/zinc/21/97/94/582219794.db2.gz MTWAMAKUHYZWMG-VHSXEESVSA-N 1 2 280.346 -1.391 20 0 CAADLO CC[N@@H+]1CCOC[C@@H]1C(=O)NCCn1cnnn1 ZINC000845799243 582219865 /nfs/dbraw/zinc/21/98/65/582219865.db2.gz AXDGYVLVBCYNPG-SECBINFHSA-N 1 2 254.294 -1.490 20 0 CAADLO CC[N@H+]1CCOC[C@@H]1C(=O)NCCn1cnnn1 ZINC000845799243 582219868 /nfs/dbraw/zinc/21/98/68/582219868.db2.gz AXDGYVLVBCYNPG-SECBINFHSA-N 1 2 254.294 -1.490 20 0 CAADLO CC[N@@H+]1CCOC[C@H]1C(=O)NCCn1cnnn1 ZINC000845799247 582219891 /nfs/dbraw/zinc/21/98/91/582219891.db2.gz AXDGYVLVBCYNPG-VIFPVBQESA-N 1 2 254.294 -1.490 20 0 CAADLO CC[N@H+]1CCOC[C@H]1C(=O)NCCn1cnnn1 ZINC000845799247 582219893 /nfs/dbraw/zinc/21/98/93/582219893.db2.gz AXDGYVLVBCYNPG-VIFPVBQESA-N 1 2 254.294 -1.490 20 0 CAADLO COC(=O)[C@@](C)(O)CNC(=O)/C=C\C[NH+]1CCOCC1 ZINC000867416708 582221527 /nfs/dbraw/zinc/22/15/27/582221527.db2.gz GLJYJPXZQYOEMP-SCOBNMCVSA-N 1 2 286.328 -1.085 20 0 CAADLO COC(=O)[C@@](C)(O)CNC(=O)/C=C/C[NH+]1CCOCC1 ZINC000867416707 582221574 /nfs/dbraw/zinc/22/15/74/582221574.db2.gz GLJYJPXZQYOEMP-OOPCZODUSA-N 1 2 286.328 -1.085 20 0 CAADLO CCONC(=O)CNC(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000846494052 582221802 /nfs/dbraw/zinc/22/18/02/582221802.db2.gz NGWVFTBGYJHIAC-JTQLQIEISA-N 1 2 270.333 -1.440 20 0 CAADLO CCONC(=O)CNC(=O)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000846494052 582221803 /nfs/dbraw/zinc/22/18/03/582221803.db2.gz NGWVFTBGYJHIAC-JTQLQIEISA-N 1 2 270.333 -1.440 20 0 CAADLO CCONC(=O)CNC(=O)CN1CC[NH+](CC)CC1 ZINC000846495961 582221989 /nfs/dbraw/zinc/22/19/89/582221989.db2.gz YAAFIDYAYWFNPX-UHFFFAOYSA-N 1 2 272.349 -1.192 20 0 CAADLO C[N@@H+]1CCO[C@@H](CS(=O)(=O)N[C@@H]2CC[C@H]2O)C1 ZINC000867430122 582222259 /nfs/dbraw/zinc/22/22/59/582222259.db2.gz NKNMTGLSNMWHML-OPRDCNLKSA-N 1 2 264.347 -1.240 20 0 CAADLO C[N@H+]1CCO[C@@H](CS(=O)(=O)N[C@@H]2CC[C@H]2O)C1 ZINC000867430122 582222261 /nfs/dbraw/zinc/22/22/61/582222261.db2.gz NKNMTGLSNMWHML-OPRDCNLKSA-N 1 2 264.347 -1.240 20 0 CAADLO NS(=O)(=O)CC[NH+]1CCN(Cc2cnsn2)CC1 ZINC000846829870 582223465 /nfs/dbraw/zinc/22/34/65/582223465.db2.gz UYPSQYVTIUCKSZ-UHFFFAOYSA-N 1 2 291.402 -1.056 20 0 CAADLO Cc1nonc1CC(=O)N[C@@H](CO)C[NH+]1CCOCC1 ZINC000847136904 582223704 /nfs/dbraw/zinc/22/37/04/582223704.db2.gz AOHQGFOJUSWROH-SNVBAGLBSA-N 1 2 284.316 -1.270 20 0 CAADLO COC/C=C\C(=O)N[C@@H](CO)C[NH+]1CCOCC1 ZINC000847137417 582223727 /nfs/dbraw/zinc/22/37/27/582223727.db2.gz BVSKMZUENURFJL-OTDNITJGSA-N 1 2 258.318 -1.002 20 0 CAADLO NC(=O)C1(C(=O)N[C@@H](CO)C[NH+]2CCOCC2)CCC1 ZINC000847136842 582223740 /nfs/dbraw/zinc/22/37/40/582223740.db2.gz ADQNZHSLSWKAPI-SNVBAGLBSA-N 1 2 285.344 -1.549 20 0 CAADLO CON1CC[NH+](CC(=O)N2CCN(C(C)=O)CC2)CC1 ZINC000846980030 582223751 /nfs/dbraw/zinc/22/37/51/582223751.db2.gz BLANRSLDKWOOQK-UHFFFAOYSA-N 1 2 284.360 -1.144 20 0 CAADLO O=C(N[C@@H](CO)C[NH+]1CCOCC1)[C@@H](O)c1ccccn1 ZINC000847142214 582223833 /nfs/dbraw/zinc/22/38/33/582223833.db2.gz XOZMRQYXYNZVQW-YPMHNXCESA-N 1 2 295.339 -1.076 20 0 CAADLO Cn1cc(C(=O)N[C@@H](CO)C[NH+]2CCOCC2)[nH]c1=O ZINC000847138777 582223859 /nfs/dbraw/zinc/22/38/59/582223859.db2.gz ILSAXBQWRWLHCJ-SECBINFHSA-N 1 2 284.316 -1.451 20 0 CAADLO O=C(C[C@H]1CCC(=O)N1)N[C@H](CO)C[NH+]1CCOCC1 ZINC000847139817 582223914 /nfs/dbraw/zinc/22/39/14/582223914.db2.gz LSEDBTAQUYRHPC-MNOVXSKESA-N 1 2 285.344 -1.536 20 0 CAADLO C[C@@H]1OC(=O)N[C@@H]1C(=O)N[C@H](CO)C[NH+]1CCOCC1 ZINC000847142205 582223976 /nfs/dbraw/zinc/22/39/76/582223976.db2.gz XFFYDFUXXBVTHH-GUBZILKMSA-N 1 2 287.316 -1.707 20 0 CAADLO O=C(N[C@H](CO)C[NH+]1CCOCC1)[C@@H]1CC(=O)N1 ZINC000847139744 582223982 /nfs/dbraw/zinc/22/39/82/582223982.db2.gz LHFRODRZZQTXKN-IUCAKERBSA-N 1 2 257.290 -2.316 20 0 CAADLO C=CC(=O)NCCC(=O)N[C@H](CO)C[NH+]1CCOCC1 ZINC000847139429 582224015 /nfs/dbraw/zinc/22/40/15/582224015.db2.gz KFBHZTFBXXZUDD-NSHDSACASA-N 1 2 285.344 -1.512 20 0 CAADLO O=C(N[C@H](CO)C[NH+]1CCOCC1)[C@H](O)C1CC1 ZINC000847142260 582224129 /nfs/dbraw/zinc/22/41/29/582224129.db2.gz YCBVLASLGHGOFX-WDEREUQCSA-N 1 2 258.318 -1.433 20 0 CAADLO N=C1NC(=O)[C@@H](CC(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)S1 ZINC000848308157 582226241 /nfs/dbraw/zinc/22/62/41/582226241.db2.gz ZTDRFYYCIKISTA-DJLDLDEBSA-N 1 2 298.368 -1.180 20 0 CAADLO N=C1NC(=O)[C@@H](CC(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)S1 ZINC000848308157 582226242 /nfs/dbraw/zinc/22/62/42/582226242.db2.gz ZTDRFYYCIKISTA-DJLDLDEBSA-N 1 2 298.368 -1.180 20 0 CAADLO N=C1NC(=O)[C@H](CC(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)S1 ZINC000848308158 582226319 /nfs/dbraw/zinc/22/63/19/582226319.db2.gz ZTDRFYYCIKISTA-YIZRAAEISA-N 1 2 298.368 -1.180 20 0 CAADLO N=C1NC(=O)[C@H](CC(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)S1 ZINC000848308158 582226320 /nfs/dbraw/zinc/22/63/20/582226320.db2.gz ZTDRFYYCIKISTA-YIZRAAEISA-N 1 2 298.368 -1.180 20 0 CAADLO O=C(CN1CC[NH2+]CC1=O)NC[C@@H]1CN(C2CC2)C(=O)O1 ZINC000848442137 582226367 /nfs/dbraw/zinc/22/63/67/582226367.db2.gz GAODLIRZPKCNSS-SNVBAGLBSA-N 1 2 296.327 -1.482 20 0 CAADLO Cn1ncc2c1nc(N)[nH+]c2NC[C@H]1CC(C(N)=O)=NO1 ZINC000848687067 582226789 /nfs/dbraw/zinc/22/67/89/582226789.db2.gz RNYNXFWERPOBDW-RXMQYKEDSA-N 1 2 290.287 -1.012 20 0 CAADLO Cn1ncc2c1nc(N)[nH+]c2NC[C@@H]1CC(C(N)=O)=NO1 ZINC000848687068 582226807 /nfs/dbraw/zinc/22/68/07/582226807.db2.gz RNYNXFWERPOBDW-YFKPBYRVSA-N 1 2 290.287 -1.012 20 0 CAADLO COC(=O)[C@@H](NS(=O)(=O)CC1([NH+](C)C)CC1)[C@@H](C)O ZINC000885505035 582227002 /nfs/dbraw/zinc/22/70/02/582227002.db2.gz DLYLZIPFOPKCOV-BDAKNGLRSA-N 1 2 294.373 -1.078 20 0 CAADLO O=C1C[C@@H]([N@@H+]2CC[C@@H](N3CCOC3=O)C2)C(=O)N1 ZINC000849181079 582227361 /nfs/dbraw/zinc/22/73/61/582227361.db2.gz HIVDKLAOCCAJQG-HTQZYQBOSA-N 1 2 253.258 -1.072 20 0 CAADLO O=C1C[C@@H]([N@H+]2CC[C@@H](N3CCOC3=O)C2)C(=O)N1 ZINC000849181079 582227362 /nfs/dbraw/zinc/22/73/62/582227362.db2.gz HIVDKLAOCCAJQG-HTQZYQBOSA-N 1 2 253.258 -1.072 20 0 CAADLO O=C1C[C@H]([N@@H+]2CC[C@@H](N3CCOC3=O)C2)C(=O)N1 ZINC000849181081 582227399 /nfs/dbraw/zinc/22/73/99/582227399.db2.gz HIVDKLAOCCAJQG-SFYZADRCSA-N 1 2 253.258 -1.072 20 0 CAADLO O=C1C[C@H]([N@H+]2CC[C@@H](N3CCOC3=O)C2)C(=O)N1 ZINC000849181081 582227400 /nfs/dbraw/zinc/22/74/00/582227400.db2.gz HIVDKLAOCCAJQG-SFYZADRCSA-N 1 2 253.258 -1.072 20 0 CAADLO CC(C)NC(=O)C[N@H+](C)CC(=O)N[C@H]1CCOC1=O ZINC000849212498 582227606 /nfs/dbraw/zinc/22/76/06/582227606.db2.gz FWJXVQZRLFRIJH-VIFPVBQESA-N 1 2 271.317 -1.126 20 0 CAADLO CC(C)NC(=O)C[N@@H+](C)CC(=O)N[C@H]1CCOC1=O ZINC000849212498 582227607 /nfs/dbraw/zinc/22/76/07/582227607.db2.gz FWJXVQZRLFRIJH-VIFPVBQESA-N 1 2 271.317 -1.126 20 0 CAADLO O=C1NCC[C@H]1NC(=S)NCC[NH+]1CCOCC1 ZINC000849267552 582227627 /nfs/dbraw/zinc/22/76/27/582227627.db2.gz ZOHIGRQWMMDXMD-SECBINFHSA-N 1 2 272.374 -1.329 20 0 CAADLO NC(=O)[C@](O)(C[N@@H+]1CCNC(=O)C1)c1ccccc1 ZINC000851712291 582229542 /nfs/dbraw/zinc/22/95/42/582229542.db2.gz MYGPIAKQGHMHCW-ZDUSSCGKSA-N 1 2 263.297 -1.209 20 0 CAADLO NC(=O)[C@](O)(C[N@H+]1CCNC(=O)C1)c1ccccc1 ZINC000851712291 582229543 /nfs/dbraw/zinc/22/95/43/582229543.db2.gz MYGPIAKQGHMHCW-ZDUSSCGKSA-N 1 2 263.297 -1.209 20 0 CAADLO CCN1OC[C@@H]([NH+]2CCC(C(=O)NCCO)CC2)C1=O ZINC000851734774 582229556 /nfs/dbraw/zinc/22/95/56/582229556.db2.gz NBSYDNFDXJWMSK-LLVKDONJSA-N 1 2 285.344 -1.031 20 0 CAADLO NS(=O)(=O)N1CC[NH+](C[C@H](O)c2ccccn2)CC1 ZINC000851766353 582229714 /nfs/dbraw/zinc/22/97/14/582229714.db2.gz AETMHFKFXQFGAQ-NSHDSACASA-N 1 2 286.357 -1.064 20 0 CAADLO O=C1NC[C@@H]2C[N@H+](C[C@@H](O)c3ccccn3)CCN2C1=O ZINC000851812090 582229721 /nfs/dbraw/zinc/22/97/21/582229721.db2.gz FPXHVDVQUFZCLD-ZYHUDNBSSA-N 1 2 290.323 -1.242 20 0 CAADLO O=C1NC[C@@H]2C[N@@H+](C[C@@H](O)c3ccccn3)CCN2C1=O ZINC000851812090 582229722 /nfs/dbraw/zinc/22/97/22/582229722.db2.gz FPXHVDVQUFZCLD-ZYHUDNBSSA-N 1 2 290.323 -1.242 20 0 CAADLO O=C1NC[C@@H]2C[N@H+](CCOC(F)F)CCN2C1=O ZINC000851811945 582229733 /nfs/dbraw/zinc/22/97/33/582229733.db2.gz BGWWMSQPVQFLMK-SSDOTTSWSA-N 1 2 263.244 -1.132 20 0 CAADLO O=C1NC[C@@H]2C[N@@H+](CCOC(F)F)CCN2C1=O ZINC000851811945 582229734 /nfs/dbraw/zinc/22/97/34/582229734.db2.gz BGWWMSQPVQFLMK-SSDOTTSWSA-N 1 2 263.244 -1.132 20 0 CAADLO COC(=O)CCN1CC[C@H]([N@@H+]2CCCNC(=O)C2)C1=O ZINC000851747640 582229740 /nfs/dbraw/zinc/22/97/40/582229740.db2.gz HXALBJZEFFJBOS-JTQLQIEISA-N 1 2 283.328 -1.028 20 0 CAADLO COC(=O)CCN1CC[C@H]([N@H+]2CCCNC(=O)C2)C1=O ZINC000851747640 582229741 /nfs/dbraw/zinc/22/97/41/582229741.db2.gz HXALBJZEFFJBOS-JTQLQIEISA-N 1 2 283.328 -1.028 20 0 CAADLO O=C1NC[C@@H]2C[N@H+](C[C@H](O)c3ccccn3)CCN2C1=O ZINC000851812089 582229746 /nfs/dbraw/zinc/22/97/46/582229746.db2.gz FPXHVDVQUFZCLD-PWSUYJOCSA-N 1 2 290.323 -1.242 20 0 CAADLO O=C1NC[C@@H]2C[N@@H+](C[C@H](O)c3ccccn3)CCN2C1=O ZINC000851812089 582229747 /nfs/dbraw/zinc/22/97/47/582229747.db2.gz FPXHVDVQUFZCLD-PWSUYJOCSA-N 1 2 290.323 -1.242 20 0 CAADLO COC[C@H](C[NH+]1CCN(S(N)(=O)=O)CC1)OC ZINC000851766465 582229784 /nfs/dbraw/zinc/22/97/84/582229784.db2.gz DDZNUFDIGFUAJZ-VIFPVBQESA-N 1 2 267.351 -1.531 20 0 CAADLO CC1(C)OC[C@H](C[NH+]2CCN(S(N)(=O)=O)CC2)O1 ZINC000851766781 582229786 /nfs/dbraw/zinc/22/97/86/582229786.db2.gz MTKPFRFWRDKSJP-VIFPVBQESA-N 1 2 279.362 -1.041 20 0 CAADLO O=C(C[N@@H+]1CCC2=C(CCC(=O)N2)C1)N1CCNC(=O)C1 ZINC000852300810 582230156 /nfs/dbraw/zinc/23/01/56/582230156.db2.gz DDLNGWGWGHGVFP-UHFFFAOYSA-N 1 2 292.339 -1.185 20 0 CAADLO O=C(C[N@H+]1CCC2=C(CCC(=O)N2)C1)N1CCNC(=O)C1 ZINC000852300810 582230157 /nfs/dbraw/zinc/23/01/57/582230157.db2.gz DDLNGWGWGHGVFP-UHFFFAOYSA-N 1 2 292.339 -1.185 20 0 CAADLO COC(=O)CNC(=O)C[N@@H+]1CC[C@H](N2CCOC2=O)C1 ZINC000852432772 582230397 /nfs/dbraw/zinc/23/03/97/582230397.db2.gz PXOQDMHNFLMRAQ-VIFPVBQESA-N 1 2 285.300 -1.198 20 0 CAADLO COC(=O)CNC(=O)C[N@H+]1CC[C@H](N2CCOC2=O)C1 ZINC000852432772 582230400 /nfs/dbraw/zinc/23/04/00/582230400.db2.gz PXOQDMHNFLMRAQ-VIFPVBQESA-N 1 2 285.300 -1.198 20 0 CAADLO COC(=O)CNC(=O)C[N@H+](C)CCN(C)C(=O)OC ZINC000852571944 582230430 /nfs/dbraw/zinc/23/04/30/582230430.db2.gz JKFKLPSWXOLGKA-UHFFFAOYSA-N 1 2 275.305 -1.094 20 0 CAADLO COC(=O)NC1CC[NH+](CC(=O)N2CCNC(=O)C2)CC1 ZINC000852771148 582230562 /nfs/dbraw/zinc/23/05/62/582230562.db2.gz JSSFCGNSBOZJMH-UHFFFAOYSA-N 1 2 298.343 -1.235 20 0 CAADLO CO[C@@H]1CS(=O)(=O)[C@H]2C[N@H+](CCS(N)(=O)=O)C[C@H]21 ZINC000852594783 582230576 /nfs/dbraw/zinc/23/05/76/582230576.db2.gz ZWCAAYDJQNLLFN-YIZRAAEISA-N 1 2 298.386 -1.981 20 0 CAADLO CO[C@@H]1CS(=O)(=O)[C@H]2C[N@@H+](CCS(N)(=O)=O)C[C@H]21 ZINC000852594783 582230577 /nfs/dbraw/zinc/23/05/77/582230577.db2.gz ZWCAAYDJQNLLFN-YIZRAAEISA-N 1 2 298.386 -1.981 20 0 CAADLO C[N@@H+]1CCN(C(=O)C2=NO[C@H](C[NH3+])C2)[C@H](C[NH3+])C1 ZINC000852800027 582230618 /nfs/dbraw/zinc/23/06/18/582230618.db2.gz YLOWLKZWJKVIDD-BDAKNGLRSA-N 1 2 255.322 -1.809 20 0 CAADLO COC(=O)[C@@]1(F)CCN(C(=O)CN2CC[NH2+]CC2=O)C1 ZINC000852897715 582232491 /nfs/dbraw/zinc/23/24/91/582232491.db2.gz MBXJIHCAPGRZSA-GFCCVEGCSA-N 1 2 287.291 -1.468 20 0 CAADLO COC(=O)[C@]1(F)CCN(C(=O)CN2CC[NH2+]CC2=O)C1 ZINC000852897716 582232535 /nfs/dbraw/zinc/23/25/35/582232535.db2.gz MBXJIHCAPGRZSA-LBPRGKRZSA-N 1 2 287.291 -1.468 20 0 CAADLO O=C(CN1CC[NH2+]CC1=O)N1CC[C@@H](N2CCOC2=O)C1 ZINC000852903670 582232598 /nfs/dbraw/zinc/23/25/98/582232598.db2.gz GLGXASYGIGNUNK-SNVBAGLBSA-N 1 2 296.327 -1.529 20 0 CAADLO CNS(=O)(=O)CCC[N@H+](C)CCS(C)(=O)=O ZINC000111218133 582233167 /nfs/dbraw/zinc/23/31/67/582233167.db2.gz QIDQVXKQJZIIMS-UHFFFAOYSA-N 1 2 272.392 -1.098 20 0 CAADLO CNS(=O)(=O)CCC[N@@H+](C)CCS(C)(=O)=O ZINC000111218133 582233168 /nfs/dbraw/zinc/23/31/68/582233168.db2.gz QIDQVXKQJZIIMS-UHFFFAOYSA-N 1 2 272.392 -1.098 20 0 CAADLO CN1C(=O)C(=O)N(C[N@@H+]2CC[C@@H](N3CCOC3=O)C2)C1=O ZINC000853540112 582233356 /nfs/dbraw/zinc/23/33/56/582233356.db2.gz HCMIAPTVXNDVQH-MRVPVSSYSA-N 1 2 296.283 -1.109 20 0 CAADLO CN1C(=O)C(=O)N(C[N@H+]2CC[C@@H](N3CCOC3=O)C2)C1=O ZINC000853540112 582233358 /nfs/dbraw/zinc/23/33/58/582233358.db2.gz HCMIAPTVXNDVQH-MRVPVSSYSA-N 1 2 296.283 -1.109 20 0 CAADLO CN1C(=O)C(=O)N(C[N@H+](C)C[C@H]2COCCO2)C1=O ZINC000853557636 582233372 /nfs/dbraw/zinc/23/33/72/582233372.db2.gz AHCSJDQSRFVATA-QMMMGPOBSA-N 1 2 271.273 -1.288 20 0 CAADLO CN1C(=O)C(=O)N(C[N@@H+](C)C[C@H]2COCCO2)C1=O ZINC000853557636 582233373 /nfs/dbraw/zinc/23/33/73/582233373.db2.gz AHCSJDQSRFVATA-QMMMGPOBSA-N 1 2 271.273 -1.288 20 0 CAADLO C[NH+](C)C[C@H](CO)NC(=O)Cn1[nH]cc2c(=O)ncnc1-2 ZINC000854466570 582234282 /nfs/dbraw/zinc/23/42/82/582234282.db2.gz GFYOVMCWTHFZDU-MRVPVSSYSA-N 1 2 294.315 -1.890 20 0 CAADLO C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cc(=O)[nH][n-]1 ZINC000855415356 582237489 /nfs/dbraw/zinc/23/74/89/582237489.db2.gz WCJDMXOYWXMRNV-UHFFFAOYSA-N 1 2 269.349 -1.138 20 0 CAADLO C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cc(=O)[nH][n-]1 ZINC000855415356 582237490 /nfs/dbraw/zinc/23/74/90/582237490.db2.gz WCJDMXOYWXMRNV-UHFFFAOYSA-N 1 2 269.349 -1.138 20 0 CAADLO CNS(=O)(=O)CC[N@@H+]1CCC2(C1)OCCO2 ZINC000856728974 582238434 /nfs/dbraw/zinc/23/84/34/582238434.db2.gz CASAYABAKHHZOC-UHFFFAOYSA-N 1 2 250.320 -1.016 20 0 CAADLO CNS(=O)(=O)CC[N@H+]1CCC2(C1)OCCO2 ZINC000856728974 582238435 /nfs/dbraw/zinc/23/84/35/582238435.db2.gz CASAYABAKHHZOC-UHFFFAOYSA-N 1 2 250.320 -1.016 20 0 CAADLO COC(=O)CN(CC[NH+]1CCOCC1)C[C@@H](O)[C@@H](C)O ZINC000857706520 582239366 /nfs/dbraw/zinc/23/93/66/582239366.db2.gz XSHSSENTSVBPQT-VXGBXAGGSA-N 1 2 290.360 -1.465 20 0 CAADLO COC(=O)CN(CC[NH+]1CCOCC1)C[C@H](O)[C@H](C)O ZINC000857706519 582239422 /nfs/dbraw/zinc/23/94/22/582239422.db2.gz XSHSSENTSVBPQT-RYUDHWBXSA-N 1 2 290.360 -1.465 20 0 CAADLO Cn1cc(C(=O)N[C@H]2Cc3c[nH+]cn3C2)c(=O)n(C)c1=O ZINC000857890698 582239478 /nfs/dbraw/zinc/23/94/78/582239478.db2.gz ZASCACANPLSSHW-QMMMGPOBSA-N 1 2 289.295 -1.365 20 0 CAADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)NCCn1cncn1 ZINC000858235882 582239665 /nfs/dbraw/zinc/23/96/65/582239665.db2.gz STXTUGREKGVUJW-JTQLQIEISA-N 1 2 268.321 -1.092 20 0 CAADLO C[N@H+]1CCOC[C@@H]1CNC(=O)NCCn1cncn1 ZINC000858235882 582239666 /nfs/dbraw/zinc/23/96/66/582239666.db2.gz STXTUGREKGVUJW-JTQLQIEISA-N 1 2 268.321 -1.092 20 0 CAADLO COC(=O)Cn1cc(C[NH2+][C@H](C)C(=O)N(C)OC)nn1 ZINC000858322761 582239805 /nfs/dbraw/zinc/23/98/05/582239805.db2.gz IMOCGGRVOSHRRG-MRVPVSSYSA-N 1 2 285.304 -1.051 20 0 CAADLO COC(=O)Cn1cc(C[NH2+][C@@H](C)C(=O)N(C)OC)nn1 ZINC000858319386 582239848 /nfs/dbraw/zinc/23/98/48/582239848.db2.gz IMOCGGRVOSHRRG-QMMMGPOBSA-N 1 2 285.304 -1.051 20 0 CAADLO COC(=O)NCCNC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000858522548 582240189 /nfs/dbraw/zinc/24/01/89/582240189.db2.gz BEECQXJWCGXOKT-SECBINFHSA-N 1 2 274.321 -1.028 20 0 CAADLO COC(=O)NCCNC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000858522548 582240190 /nfs/dbraw/zinc/24/01/90/582240190.db2.gz BEECQXJWCGXOKT-SECBINFHSA-N 1 2 274.321 -1.028 20 0 CAADLO COC(=O)NCCNC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000858522552 582240267 /nfs/dbraw/zinc/24/02/67/582240267.db2.gz BEECQXJWCGXOKT-VIFPVBQESA-N 1 2 274.321 -1.028 20 0 CAADLO COC(=O)NCCNC(=O)NC[C@H]1COCC[N@H+]1C ZINC000858522552 582240268 /nfs/dbraw/zinc/24/02/68/582240268.db2.gz BEECQXJWCGXOKT-VIFPVBQESA-N 1 2 274.321 -1.028 20 0 CAADLO C[C@H]1C[N@H+](CCNC(=O)[C@@H]2COC(=O)N2)CCO1 ZINC000859042892 582240623 /nfs/dbraw/zinc/24/06/23/582240623.db2.gz XZOIARBUFWZCKH-IUCAKERBSA-N 1 2 257.290 -1.068 20 0 CAADLO C[C@H]1C[N@@H+](CCNC(=O)[C@@H]2COC(=O)N2)CCO1 ZINC000859042892 582240625 /nfs/dbraw/zinc/24/06/25/582240625.db2.gz XZOIARBUFWZCKH-IUCAKERBSA-N 1 2 257.290 -1.068 20 0 CAADLO CCOC(=O)C1=C(C[NH+]2C[C@H](O)[C@@H](O)C2)NC(=O)N[C@H]1C ZINC000859451168 582241436 /nfs/dbraw/zinc/24/14/36/582241436.db2.gz PSAYLAFOCCEYAL-HGNGGELXSA-N 1 2 299.327 -1.458 20 0 CAADLO C[S@@](=O)CC[NH+]1CCN(C(=O)[C@@H]2COC(=O)N2)CC1 ZINC000859542326 582241608 /nfs/dbraw/zinc/24/16/08/582241608.db2.gz DGTJRDHPDZFIKY-ZRNGKTOUSA-N 1 2 289.357 -1.383 20 0 CAADLO C=CC(=O)N(C)CC(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000859944011 582242048 /nfs/dbraw/zinc/24/20/48/582242048.db2.gz PBPFFKNPOYBGNU-LBPRGKRZSA-N 1 2 299.371 -1.218 20 0 CAADLO CC(C)[C@H](NC=O)C(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000860311529 582242589 /nfs/dbraw/zinc/24/25/89/582242589.db2.gz WLQXDGZADIWEKN-RYUDHWBXSA-N 1 2 268.361 -1.127 20 0 CAADLO O=C(NC[C@H]1C[NH+]2CCN1CC2)[C@@H]1COC(=O)N1 ZINC000860311613 582242596 /nfs/dbraw/zinc/24/25/96/582242596.db2.gz ZCHRGVHXOJNUAJ-IUCAKERBSA-N 1 2 254.290 -1.789 20 0 CAADLO O=C(NCCC[N@@H+]1CCNC(=O)C1)[C@@H]1COC(=O)N1 ZINC000860379886 582242729 /nfs/dbraw/zinc/24/27/29/582242729.db2.gz VRMPIKNPJWXZPF-QMMMGPOBSA-N 1 2 270.289 -1.967 20 0 CAADLO O=C(NCCC[N@H+]1CCNC(=O)C1)[C@@H]1COC(=O)N1 ZINC000860379886 582242731 /nfs/dbraw/zinc/24/27/31/582242731.db2.gz VRMPIKNPJWXZPF-QMMMGPOBSA-N 1 2 270.289 -1.967 20 0 CAADLO CC(C)[C@H](NC=O)C(=O)NCCC[N@@H+]1CCNC(=O)C1 ZINC000860378241 582242735 /nfs/dbraw/zinc/24/27/35/582242735.db2.gz AMTKMXHEIBCADC-LBPRGKRZSA-N 1 2 284.360 -1.305 20 0 CAADLO CC(C)[C@H](NC=O)C(=O)NCCC[N@H+]1CCNC(=O)C1 ZINC000860378241 582242737 /nfs/dbraw/zinc/24/27/37/582242737.db2.gz AMTKMXHEIBCADC-LBPRGKRZSA-N 1 2 284.360 -1.305 20 0 CAADLO CC(C)[C@H](NC=O)C(=O)N[C@@H](CO)C[NH+]1CCOCC1 ZINC000861518267 582243892 /nfs/dbraw/zinc/24/38/92/582243892.db2.gz WLTCQXPJZYMIJM-NEPJUHHUSA-N 1 2 287.360 -1.434 20 0 CAADLO C[C@H](C(=O)N[C@H](CO)C[NH+]1CCOCC1)[C@H]1CCC(=O)N1 ZINC000861518160 582243945 /nfs/dbraw/zinc/24/39/45/582243945.db2.gz SRKYROJTJYKNEB-SDDRHHMPSA-N 1 2 299.371 -1.290 20 0 CAADLO C=CC(=O)N(C)CC(=O)N[C@@H](CO)C[NH+]1CCOCC1 ZINC000861518272 582244029 /nfs/dbraw/zinc/24/40/29/582244029.db2.gz WOZAIDKEVBFMTL-LLVKDONJSA-N 1 2 285.344 -1.560 20 0 CAADLO O=C(N[C@@H](CO)C[NH+]1CCOCC1)[C@@H]1CCOC(=O)N1 ZINC000861518263 582244084 /nfs/dbraw/zinc/24/40/84/582244084.db2.gz WIAUYXNSWOURBN-ZJUUUORDSA-N 1 2 287.316 -1.706 20 0 CAADLO C=CC(=O)N(C)CC(=O)N[C@H](CO)C[NH+]1CCOCC1 ZINC000861518273 582244101 /nfs/dbraw/zinc/24/41/01/582244101.db2.gz WOZAIDKEVBFMTL-NSHDSACASA-N 1 2 285.344 -1.560 20 0 CAADLO CC[S@](C)(=O)=NS(=O)(=O)NCC[N@H+](C)CCO ZINC000885803954 582245421 /nfs/dbraw/zinc/24/54/21/582245421.db2.gz CHKOFRLZJMFXCA-INIZCTEOSA-N 1 2 287.407 -1.137 20 0 CAADLO CC[S@](C)(=O)=NS(=O)(=O)NCC[N@@H+](C)CCO ZINC000885803954 582245422 /nfs/dbraw/zinc/24/54/22/582245422.db2.gz CHKOFRLZJMFXCA-INIZCTEOSA-N 1 2 287.407 -1.137 20 0 CAADLO C[N@@H+]1CCOC[C@H]1CNC(=O)[C@@H]1CCOC(=O)N1 ZINC000862970084 582247910 /nfs/dbraw/zinc/24/79/10/582247910.db2.gz SVGBLQXDXOEMCK-BDAKNGLRSA-N 1 2 257.290 -1.068 20 0 CAADLO C[N@H+]1CCOC[C@H]1CNC(=O)[C@@H]1CCOC(=O)N1 ZINC000862970084 582247911 /nfs/dbraw/zinc/24/79/11/582247911.db2.gz SVGBLQXDXOEMCK-BDAKNGLRSA-N 1 2 257.290 -1.068 20 0 CAADLO Cn1cc(C(=O)NC[C@H]2COCC[N@@H+]2C)c(=O)n(C)c1=O ZINC000862971456 582247929 /nfs/dbraw/zinc/24/79/29/582247929.db2.gz SPNRJQKFHQTFGT-VIFPVBQESA-N 1 2 296.327 -1.856 20 0 CAADLO Cn1cc(C(=O)NC[C@H]2COCC[N@H+]2C)c(=O)n(C)c1=O ZINC000862971456 582247930 /nfs/dbraw/zinc/24/79/30/582247930.db2.gz SPNRJQKFHQTFGT-VIFPVBQESA-N 1 2 296.327 -1.856 20 0 CAADLO Cn1cc([C@@H](O)C(=O)NC[C@@H]2COCC[N@@H+]2C)cn1 ZINC000862969837 582247969 /nfs/dbraw/zinc/24/79/69/582247969.db2.gz OSHXHALYAACVAO-GHMZBOCLSA-N 1 2 268.317 -1.100 20 0 CAADLO Cn1cc([C@@H](O)C(=O)NC[C@@H]2COCC[N@H+]2C)cn1 ZINC000862969837 582247971 /nfs/dbraw/zinc/24/79/71/582247971.db2.gz OSHXHALYAACVAO-GHMZBOCLSA-N 1 2 268.317 -1.100 20 0 CAADLO Cn1cc([C@H](O)C(=O)NC[C@@H]2COCC[N@@H+]2C)cn1 ZINC000862969838 582247985 /nfs/dbraw/zinc/24/79/85/582247985.db2.gz OSHXHALYAACVAO-MNOVXSKESA-N 1 2 268.317 -1.100 20 0 CAADLO Cn1cc([C@H](O)C(=O)NC[C@@H]2COCC[N@H+]2C)cn1 ZINC000862969838 582247987 /nfs/dbraw/zinc/24/79/87/582247987.db2.gz OSHXHALYAACVAO-MNOVXSKESA-N 1 2 268.317 -1.100 20 0 CAADLO CN1CCO[C@H](C(=O)N2CC[N@H+](C)[C@H](CO)C2)C1=O ZINC000864078018 582251381 /nfs/dbraw/zinc/25/13/81/582251381.db2.gz KNKTXUDBTTXKOR-UWVGGRQHSA-N 1 2 271.317 -2.022 20 0 CAADLO CN1CCO[C@H](C(=O)N2CC[N@@H+](C)[C@H](CO)C2)C1=O ZINC000864078018 582251383 /nfs/dbraw/zinc/25/13/83/582251383.db2.gz KNKTXUDBTTXKOR-UWVGGRQHSA-N 1 2 271.317 -2.022 20 0 CAADLO C[N@@H+]1CCN(C(=O)[C@H]2CCS(=O)(=O)N2)C[C@H]1CO ZINC000864077962 582251407 /nfs/dbraw/zinc/25/14/07/582251407.db2.gz KCGSODYYNORAGY-DTWKUNHWSA-N 1 2 277.346 -2.187 20 0 CAADLO C[N@H+]1CCN(C(=O)[C@H]2CCS(=O)(=O)N2)C[C@H]1CO ZINC000864077962 582251409 /nfs/dbraw/zinc/25/14/09/582251409.db2.gz KCGSODYYNORAGY-DTWKUNHWSA-N 1 2 277.346 -2.187 20 0 CAADLO CN1CC[C@@H](C(=O)N2CC[N@H+](C)[C@@H](CO)C2)S1(=O)=O ZINC000864079537 582251502 /nfs/dbraw/zinc/25/15/02/582251502.db2.gz XXAXAKOBICFUPN-ZJUUUORDSA-N 1 2 291.373 -1.845 20 0 CAADLO CN1CC[C@@H](C(=O)N2CC[N@@H+](C)[C@@H](CO)C2)S1(=O)=O ZINC000864079537 582251503 /nfs/dbraw/zinc/25/15/03/582251503.db2.gz XXAXAKOBICFUPN-ZJUUUORDSA-N 1 2 291.373 -1.845 20 0 CAADLO CN1CC[C@@](C)(C(=O)N2CC[N@H+](C)[C@H](CO)C2)C1=O ZINC000864079583 582251508 /nfs/dbraw/zinc/25/15/08/582251508.db2.gz YMWHSIVPMIYAQY-GXFFZTMASA-N 1 2 269.345 -1.010 20 0 CAADLO CN1CC[C@@](C)(C(=O)N2CC[N@@H+](C)[C@H](CO)C2)C1=O ZINC000864079583 582251509 /nfs/dbraw/zinc/25/15/09/582251509.db2.gz YMWHSIVPMIYAQY-GXFFZTMASA-N 1 2 269.345 -1.010 20 0 CAADLO CN1CC[C@@H](C(=O)N2CC[N@H+](C)[C@H](CO)C2)S1(=O)=O ZINC000864079535 582251529 /nfs/dbraw/zinc/25/15/29/582251529.db2.gz XXAXAKOBICFUPN-UWVGGRQHSA-N 1 2 291.373 -1.845 20 0 CAADLO CN1CC[C@@H](C(=O)N2CC[N@@H+](C)[C@H](CO)C2)S1(=O)=O ZINC000864079535 582251530 /nfs/dbraw/zinc/25/15/30/582251530.db2.gz XXAXAKOBICFUPN-UWVGGRQHSA-N 1 2 291.373 -1.845 20 0 CAADLO CN1CC[C@@](C)(C(=O)N2CC[N@H+](C)[C@@H](CO)C2)C1=O ZINC000864079585 582251631 /nfs/dbraw/zinc/25/16/31/582251631.db2.gz YMWHSIVPMIYAQY-ZWNOBZJWSA-N 1 2 269.345 -1.010 20 0 CAADLO CN1CC[C@@](C)(C(=O)N2CC[N@@H+](C)[C@@H](CO)C2)C1=O ZINC000864079585 582251633 /nfs/dbraw/zinc/25/16/33/582251633.db2.gz YMWHSIVPMIYAQY-ZWNOBZJWSA-N 1 2 269.345 -1.010 20 0 CAADLO CN1CC[C@H](C(=O)N2CC[N@H+](C)[C@@H](CO)C2)S1(=O)=O ZINC000864079534 582251649 /nfs/dbraw/zinc/25/16/49/582251649.db2.gz XXAXAKOBICFUPN-NXEZZACHSA-N 1 2 291.373 -1.845 20 0 CAADLO CN1CC[C@H](C(=O)N2CC[N@@H+](C)[C@@H](CO)C2)S1(=O)=O ZINC000864079534 582251651 /nfs/dbraw/zinc/25/16/51/582251651.db2.gz XXAXAKOBICFUPN-NXEZZACHSA-N 1 2 291.373 -1.845 20 0 CAADLO C[N@@H+]1CCN(C(=O)CC2C(=O)N=CNC2=O)C[C@@H]1CO ZINC000864079152 582251696 /nfs/dbraw/zinc/25/16/96/582251696.db2.gz UJLCVYYHGAXACL-MRVPVSSYSA-N 1 2 282.300 -1.435 20 0 CAADLO C[N@H+]1CCN(C(=O)CC2C(=O)N=CNC2=O)C[C@@H]1CO ZINC000864079152 582251698 /nfs/dbraw/zinc/25/16/98/582251698.db2.gz UJLCVYYHGAXACL-MRVPVSSYSA-N 1 2 282.300 -1.435 20 0 CAADLO CN(C(=O)[C@@]1(C)C[C@H](O)C[N@@H+]1C)C1CS(=O)(=O)C1 ZINC000864080503 582251748 /nfs/dbraw/zinc/25/17/48/582251748.db2.gz GQCQSEFHAZUDGD-GXSJLCMTSA-N 1 2 276.358 -1.303 20 0 CAADLO CN(C(=O)[C@@]1(C)C[C@H](O)C[N@H+]1C)C1CS(=O)(=O)C1 ZINC000864080503 582251749 /nfs/dbraw/zinc/25/17/49/582251749.db2.gz GQCQSEFHAZUDGD-GXSJLCMTSA-N 1 2 276.358 -1.303 20 0 CAADLO CN(C(=O)[C@]1(C)C[C@@H](O)C[N@@H+]1C)C1CS(=O)(=O)C1 ZINC000864080504 582251751 /nfs/dbraw/zinc/25/17/51/582251751.db2.gz GQCQSEFHAZUDGD-KOLCDFICSA-N 1 2 276.358 -1.303 20 0 CAADLO CN(C(=O)[C@]1(C)C[C@@H](O)C[N@H+]1C)C1CS(=O)(=O)C1 ZINC000864080504 582251752 /nfs/dbraw/zinc/25/17/52/582251752.db2.gz GQCQSEFHAZUDGD-KOLCDFICSA-N 1 2 276.358 -1.303 20 0 CAADLO CN(C(=O)[C@@]1(C)C[C@@H](O)C[N@@H+]1C)C1CS(=O)(=O)C1 ZINC000864080505 582251761 /nfs/dbraw/zinc/25/17/61/582251761.db2.gz GQCQSEFHAZUDGD-MWLCHTKSSA-N 1 2 276.358 -1.303 20 0 CAADLO CN(C(=O)[C@@]1(C)C[C@@H](O)C[N@H+]1C)C1CS(=O)(=O)C1 ZINC000864080505 582251762 /nfs/dbraw/zinc/25/17/62/582251762.db2.gz GQCQSEFHAZUDGD-MWLCHTKSSA-N 1 2 276.358 -1.303 20 0 CAADLO CN(C(=O)C1C[NH+]([C@H]2CCOC2)C1)C1CS(=O)(=O)C1 ZINC000864081462 582251812 /nfs/dbraw/zinc/25/18/12/582251812.db2.gz IWKWNKJPJFLYGP-JTQLQIEISA-N 1 2 288.369 -1.038 20 0 CAADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)CN1CCNC(=O)C1 ZINC000864082663 582251931 /nfs/dbraw/zinc/25/19/31/582251931.db2.gz QKFJVKODIKSLGH-JTQLQIEISA-N 1 2 270.333 -2.135 20 0 CAADLO C[N@H+]1CCOC[C@@H]1CNC(=O)CN1CCNC(=O)C1 ZINC000864082663 582251932 /nfs/dbraw/zinc/25/19/32/582251932.db2.gz QKFJVKODIKSLGH-JTQLQIEISA-N 1 2 270.333 -2.135 20 0 CAADLO C[N@@H+]1CCOC[C@H]1CNC(=O)CN1CCNC(=O)C1 ZINC000864082664 582251948 /nfs/dbraw/zinc/25/19/48/582251948.db2.gz QKFJVKODIKSLGH-SNVBAGLBSA-N 1 2 270.333 -2.135 20 0 CAADLO C[N@H+]1CCOC[C@H]1CNC(=O)CN1CCNC(=O)C1 ZINC000864082664 582251949 /nfs/dbraw/zinc/25/19/49/582251949.db2.gz QKFJVKODIKSLGH-SNVBAGLBSA-N 1 2 270.333 -2.135 20 0 CAADLO CN1CCO[C@@H](C(=O)NC[C@@H]2COCC[N@@H+]2C)C1=O ZINC000864083039 582252079 /nfs/dbraw/zinc/25/20/79/582252079.db2.gz XCKWWHZHJUVPPU-ZJUUUORDSA-N 1 2 271.317 -1.710 20 0 CAADLO CN1CCO[C@@H](C(=O)NC[C@@H]2COCC[N@H+]2C)C1=O ZINC000864083039 582252081 /nfs/dbraw/zinc/25/20/81/582252081.db2.gz XCKWWHZHJUVPPU-ZJUUUORDSA-N 1 2 271.317 -1.710 20 0 CAADLO CN1CCO[C@H](C(=O)NC[C@H]2COCC[N@@H+]2C)C1=O ZINC000864083038 582252187 /nfs/dbraw/zinc/25/21/87/582252187.db2.gz XCKWWHZHJUVPPU-VHSXEESVSA-N 1 2 271.317 -1.710 20 0 CAADLO CN1CCO[C@H](C(=O)NC[C@H]2COCC[N@H+]2C)C1=O ZINC000864083038 582252188 /nfs/dbraw/zinc/25/21/88/582252188.db2.gz XCKWWHZHJUVPPU-VHSXEESVSA-N 1 2 271.317 -1.710 20 0 CAADLO O=C(/C=C/C[NH+]1CCOCC1)N1CCNC(=O)C1 ZINC000864498749 582252415 /nfs/dbraw/zinc/25/24/15/582252415.db2.gz WJSYRSPZKOIQCE-OWOJBTEDSA-N 1 2 253.302 -1.167 20 0 CAADLO COC(=O)C1(O)CN(C(=O)NCC[NH+]2CCOCC2)C1 ZINC000864425476 582252434 /nfs/dbraw/zinc/25/24/34/582252434.db2.gz HFMMJDSGARVFQH-UHFFFAOYSA-N 1 2 287.316 -1.752 20 0 CAADLO CN(C)C(=O)CN1CCN(C(=O)[C@@H](O)c2c[nH+]c[nH]2)CC1 ZINC000864556696 582252473 /nfs/dbraw/zinc/25/24/73/582252473.db2.gz CRTVKJQCPFDHAU-LBPRGKRZSA-N 1 2 295.343 -1.325 20 0 CAADLO O=C(CN1CCCCC(=O)C1=O)N1CC[NH+](CCO)CC1 ZINC000864814307 582252618 /nfs/dbraw/zinc/25/26/18/582252618.db2.gz GHHIDKMAFKBAQA-UHFFFAOYSA-N 1 2 297.355 -1.296 20 0 CAADLO O=C(/C=C\C[NH+]1CCOCC1)NCCOCCO ZINC000864816300 582252636 /nfs/dbraw/zinc/25/26/36/582252636.db2.gz LQXKGJRNZZZZKH-UPHRSURJSA-N 1 2 258.318 -1.000 20 0 CAADLO COCCNC(=O)CNC(=O)/C=C/C[NH+]1CCOCC1 ZINC000864643324 582252640 /nfs/dbraw/zinc/25/26/40/582252640.db2.gz DKJFMDRKRPNNBW-NSCUHMNNSA-N 1 2 285.344 -1.246 20 0 CAADLO COC/C=C/C(=O)NCC(=O)NCC[NH+]1CCOCC1 ZINC000865709691 582253211 /nfs/dbraw/zinc/25/32/11/582253211.db2.gz OLLXFZKNENLOJG-NSCUHMNNSA-N 1 2 285.344 -1.246 20 0 CAADLO CN(C)C(=O)COC1CN(C(=O)[C@H](O)c2c[nH+]c[nH]2)C1 ZINC000866345881 582253607 /nfs/dbraw/zinc/25/36/07/582253607.db2.gz GJUHYTCNODWJPD-LLVKDONJSA-N 1 2 282.300 -1.241 20 0 CAADLO C[N@@H+]1CCO[C@@H](CS(=O)(=O)NCC(=O)NC2CC2)C1 ZINC000866426282 582253745 /nfs/dbraw/zinc/25/37/45/582253745.db2.gz XOEIYDNWNHNKTR-SNVBAGLBSA-N 1 2 291.373 -1.485 20 0 CAADLO C[N@H+]1CCO[C@@H](CS(=O)(=O)NCC(=O)NC2CC2)C1 ZINC000866426282 582253747 /nfs/dbraw/zinc/25/37/47/582253747.db2.gz XOEIYDNWNHNKTR-SNVBAGLBSA-N 1 2 291.373 -1.485 20 0 CAADLO O=C(/C=C/C[NH+]1CCOCC1)NCCn1cnnn1 ZINC000866604613 582254021 /nfs/dbraw/zinc/25/40/21/582254021.db2.gz NDADWPLPDJDRPJ-OWOJBTEDSA-N 1 2 266.305 -1.322 20 0 CAADLO O=C(/C=C\C[NH+]1CCOCC1)N[C@@H]1CCC(=O)NC1=O ZINC000866819816 582254322 /nfs/dbraw/zinc/25/43/22/582254322.db2.gz KUPUCUYZMNVGMP-JWXWKVPASA-N 1 2 281.312 -1.204 20 0 CAADLO O=C(/C=C\C[NH+]1CCOCC1)N[C@H]1CCC(=O)NC1=O ZINC000866819817 582254370 /nfs/dbraw/zinc/25/43/70/582254370.db2.gz KUPUCUYZMNVGMP-SYBPUXJVSA-N 1 2 281.312 -1.204 20 0 CAADLO CC[S@@](C)(=O)=NS(=O)(=O)NC[C@@H]1COCC[NH2+]1 ZINC000866779132 582254381 /nfs/dbraw/zinc/25/43/81/582254381.db2.gz IMUZKYMELFADDV-VPTHRUTESA-N 1 2 285.391 -1.073 20 0 CAADLO C[N@@H+]1CCN(S(=O)(=O)CCn2cccn2)[C@@H](CO)C1 ZINC000867538040 582254526 /nfs/dbraw/zinc/25/45/26/582254526.db2.gz FTWMYIZQPMOJSI-LLVKDONJSA-N 1 2 288.373 -1.179 20 0 CAADLO C[N@H+]1CCN(S(=O)(=O)CCn2cccn2)[C@@H](CO)C1 ZINC000867538040 582254527 /nfs/dbraw/zinc/25/45/27/582254527.db2.gz FTWMYIZQPMOJSI-LLVKDONJSA-N 1 2 288.373 -1.179 20 0 CAADLO O=C(/C=C/C[NH+]1CCOCC1)N1C[C@@H](O)C[C@H]1CO ZINC000867507564 582254543 /nfs/dbraw/zinc/25/45/43/582254543.db2.gz PSQJGXTXMACNAS-NLMOASMRSA-N 1 2 270.329 -1.171 20 0 CAADLO CON(C)CCNS(=O)(=O)C[C@@H]1C[N@H+](C)CCO1 ZINC000867496028 582254616 /nfs/dbraw/zinc/25/46/16/582254616.db2.gz XDPKUCBELVFGLF-JTQLQIEISA-N 1 2 281.378 -1.270 20 0 CAADLO CON(C)CCNS(=O)(=O)C[C@@H]1C[N@@H+](C)CCO1 ZINC000867496028 582254617 /nfs/dbraw/zinc/25/46/17/582254617.db2.gz XDPKUCBELVFGLF-JTQLQIEISA-N 1 2 281.378 -1.270 20 0 CAADLO CC(=O)OCCCS(=O)(=O)N1CC[N@@H+](C)C[C@H]1CO ZINC000867538495 582254625 /nfs/dbraw/zinc/25/46/25/582254625.db2.gz MNOZVTBMOHHZRX-NSHDSACASA-N 1 2 294.373 -1.122 20 0 CAADLO CC(=O)OCCCS(=O)(=O)N1CC[N@H+](C)C[C@H]1CO ZINC000867538495 582254626 /nfs/dbraw/zinc/25/46/26/582254626.db2.gz MNOZVTBMOHHZRX-NSHDSACASA-N 1 2 294.373 -1.122 20 0 CAADLO CNS(=O)(=O)CCNC(=O)/C=C/C[NH+]1CCOCC1 ZINC000867669955 582254771 /nfs/dbraw/zinc/25/47/71/582254771.db2.gz QTPZWFWQYDXWIS-NSCUHMNNSA-N 1 2 291.373 -1.460 20 0 CAADLO C[C@](O)(CO)CNC(=O)/C=C/C[NH+]1CCOCC1 ZINC000867949905 582255361 /nfs/dbraw/zinc/25/53/61/582255361.db2.gz LJSNDDLLEXTPRZ-QAVQXKDTSA-N 1 2 258.318 -1.266 20 0 CAADLO O=C(N[C@H](CO)C[NH+]1CCOCC1)[C@H]1CCC(=O)O1 ZINC000868029657 582255796 /nfs/dbraw/zinc/25/57/96/582255796.db2.gz OUBWIRHQRZUJMK-VHSXEESVSA-N 1 2 272.301 -1.499 20 0 CAADLO CC[C@]1(C(=O)N[C@@H](CO)C[NH+]2CCOCC2)CCNC1=O ZINC000868028998 582255854 /nfs/dbraw/zinc/25/58/54/582255854.db2.gz DDVOEHJROPXELV-RISCZKNCSA-N 1 2 299.371 -1.288 20 0 CAADLO CN1C(=O)C[C@@H](NC(=O)/C=C/C[NH+]2CCOCC2)C1=O ZINC000868120507 582255881 /nfs/dbraw/zinc/25/58/81/582255881.db2.gz CHMULOBNONJCNO-VMZHVLLKSA-N 1 2 281.312 -1.252 20 0 CAADLO CC[C@]1(C(=O)N[C@H](CO)C[NH+]2CCOCC2)CCNC1=O ZINC000868028997 582255902 /nfs/dbraw/zinc/25/59/02/582255902.db2.gz DDVOEHJROPXELV-FZMZJTMJSA-N 1 2 299.371 -1.288 20 0 CAADLO CN1C(=O)CN(C(=O)/C=C\C[NH+]2CCOCC2)CC1=O ZINC000868121255 582255957 /nfs/dbraw/zinc/25/59/57/582255957.db2.gz DEBKNDPWDHVDLL-IHWYPQMZSA-N 1 2 281.312 -1.298 20 0 CAADLO COC[C@H](O)CNC(=O)/C=C/C[NH+]1CCOCC1 ZINC000868127183 582255986 /nfs/dbraw/zinc/25/59/86/582255986.db2.gz ZKGJYGOZTLXVCF-KXMPLOMGSA-N 1 2 258.318 -1.002 20 0 CAADLO CN1C(=O)CN(C(=O)/C=C/C[NH+]2CCOCC2)CC1=O ZINC000868121259 582255997 /nfs/dbraw/zinc/25/59/97/582255997.db2.gz DEBKNDPWDHVDLL-NSCUHMNNSA-N 1 2 281.312 -1.298 20 0 CAADLO CC(CO)(CO)CNC(=O)/C=C\C[NH+]1CCOCC1 ZINC000868564961 582256555 /nfs/dbraw/zinc/25/65/55/582256555.db2.gz PQBOPPGOFJDPBW-IHWYPQMZSA-N 1 2 272.345 -1.018 20 0 CAADLO NC(=O)C[C@H]1COCCN1C(=O)/C=C/C[NH+]1CCOCC1 ZINC000868804600 582256676 /nfs/dbraw/zinc/25/66/76/582256676.db2.gz HCSKGATVBRAQOE-ISUDXETCSA-N 1 2 297.355 -1.022 20 0 CAADLO O=C(/C=C\C[NH+]1CCOCC1)N1C[C@H](O)[C@@H](O)C1 ZINC000869390966 582257159 /nfs/dbraw/zinc/25/71/59/582257159.db2.gz COFDYEFGVQMPFO-SYCYMAOGSA-N 1 2 256.302 -1.561 20 0 CAADLO O=C(/C=C/C[NH+]1CCOCC1)N1C[C@H](O)[C@@H](O)C1 ZINC000869390965 582257179 /nfs/dbraw/zinc/25/71/79/582257179.db2.gz COFDYEFGVQMPFO-DQARTPSPSA-N 1 2 256.302 -1.561 20 0 CAADLO COC(=O)C[C@H](O)CNC(=O)/C=C/C[NH+]1CCOCC1 ZINC000869448483 582257240 /nfs/dbraw/zinc/25/72/40/582257240.db2.gz JKKPYSBMBBDKHV-VUDBWIFFSA-N 1 2 286.328 -1.085 20 0 CAADLO NC(=O)C[C@H]1CN(C(=O)/C=C/C[NH+]2CCOCC2)CCO1 ZINC000869482658 582257253 /nfs/dbraw/zinc/25/72/53/582257253.db2.gz QOJJDDGNERTPKN-ISUDXETCSA-N 1 2 297.355 -1.022 20 0 CAADLO O=C(/C=C\C[NH+]1CCOCC1)N[C@H]1COC[C@H]1O ZINC000869936437 582257357 /nfs/dbraw/zinc/25/73/57/582257357.db2.gz QVFCLCJQUQGXOD-WQJDUCKJSA-N 1 2 256.302 -1.249 20 0 CAADLO O=C1C[C@@H]([N@@H+]2CCCNC(=O)C2)C(=O)N1CCCO ZINC000871602130 582258631 /nfs/dbraw/zinc/25/86/31/582258631.db2.gz PUPYDTDYGBHCFI-SECBINFHSA-N 1 2 269.301 -1.682 20 0 CAADLO O=C1C[C@@H]([N@H+]2CCCNC(=O)C2)C(=O)N1CCCO ZINC000871602130 582258632 /nfs/dbraw/zinc/25/86/32/582258632.db2.gz PUPYDTDYGBHCFI-SECBINFHSA-N 1 2 269.301 -1.682 20 0 CAADLO CON(C)C(=O)CC[NH+]1CC(NS(C)(=O)=O)C1 ZINC000871985146 582258819 /nfs/dbraw/zinc/25/88/19/582258819.db2.gz LOAZVDBLHHOGSI-UHFFFAOYSA-N 1 2 265.335 -1.370 20 0 CAADLO COC(=O)c1cn(C[N@@H+]2C[C@@H]3C(=O)N(C)C(=O)[C@@H]3C2)nn1 ZINC000872714708 582259423 /nfs/dbraw/zinc/25/94/23/582259423.db2.gz PYSOHZCODYUMFX-OCAPTIKFSA-N 1 2 293.283 -1.431 20 0 CAADLO COC(=O)c1cn(C[N@H+]2C[C@@H]3C(=O)N(C)C(=O)[C@@H]3C2)nn1 ZINC000872714708 582259424 /nfs/dbraw/zinc/25/94/24/582259424.db2.gz PYSOHZCODYUMFX-OCAPTIKFSA-N 1 2 293.283 -1.431 20 0 CAADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)N1CCCNC(=O)C1 ZINC000873084520 582259743 /nfs/dbraw/zinc/25/97/43/582259743.db2.gz ZHETZNHUYCVWLH-JTQLQIEISA-N 1 2 270.333 -1.152 20 0 CAADLO C[N@H+]1CCOC[C@@H]1CNC(=O)N1CCCNC(=O)C1 ZINC000873084520 582259745 /nfs/dbraw/zinc/25/97/45/582259745.db2.gz ZHETZNHUYCVWLH-JTQLQIEISA-N 1 2 270.333 -1.152 20 0 CAADLO CC(=O)N1CC[NH+](CCNC(=O)CN2CCOC2=O)CC1 ZINC000874035428 582259952 /nfs/dbraw/zinc/25/99/52/582259952.db2.gz VOVLXALNAFHZSU-UHFFFAOYSA-N 1 2 298.343 -1.281 20 0 CAADLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)Cn1ncn(C)c1=O ZINC000874707211 582260336 /nfs/dbraw/zinc/26/03/36/582260336.db2.gz HNEIEIMUUBPVDV-LLVKDONJSA-N 1 2 297.359 -1.191 20 0 CAADLO CC[C@@H]1COCC[N@H+]1CCNC(=O)Cn1ncn(C)c1=O ZINC000874707211 582260338 /nfs/dbraw/zinc/26/03/38/582260338.db2.gz HNEIEIMUUBPVDV-LLVKDONJSA-N 1 2 297.359 -1.191 20 0 CAADLO CN(CCS(N)(=O)=O)C(=O)/C=C\C[NH+]1CCOCC1 ZINC000874602081 582260383 /nfs/dbraw/zinc/26/03/83/582260383.db2.gz ZMOPNRUVUYDODO-IHWYPQMZSA-N 1 2 291.373 -1.378 20 0 CAADLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)Cn1cnnn1 ZINC000874698971 582260421 /nfs/dbraw/zinc/26/04/21/582260421.db2.gz DTKJBYQTYSFXRI-SNVBAGLBSA-N 1 2 268.321 -1.100 20 0 CAADLO CC[C@@H]1COCC[N@H+]1CCNC(=O)Cn1cnnn1 ZINC000874698971 582260422 /nfs/dbraw/zinc/26/04/22/582260422.db2.gz DTKJBYQTYSFXRI-SNVBAGLBSA-N 1 2 268.321 -1.100 20 0 CAADLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC000874707667 582260474 /nfs/dbraw/zinc/26/04/74/582260474.db2.gz DWQYOWVYOJHLOA-ZJUUUORDSA-N 1 2 298.343 -1.189 20 0 CAADLO CC[C@@H]1COCC[N@H+]1CCNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC000874707667 582260476 /nfs/dbraw/zinc/26/04/76/582260476.db2.gz DWQYOWVYOJHLOA-ZJUUUORDSA-N 1 2 298.343 -1.189 20 0 CAADLO CNC(=O)C1(NC(=O)[C@@H](C)N2CC[NH2+]CC2=O)CCCC1 ZINC000876639367 582262827 /nfs/dbraw/zinc/26/28/27/582262827.db2.gz ONPIGBWMLPCBHG-SNVBAGLBSA-N 1 2 296.371 -1.018 20 0 CAADLO C[C@H](C(=O)NC[C@H](O)c1cnn(C)c1)N1CC[NH2+]CC1=O ZINC000876681927 582262858 /nfs/dbraw/zinc/26/28/58/582262858.db2.gz CEGKZDZRDAXAMN-KOLCDFICSA-N 1 2 295.343 -1.610 20 0 CAADLO C[C@@H]1[C@H](C)N(C(=O)[C@@H](N)C[NH+](C)C)CCS1(=O)=O ZINC000876673421 582262924 /nfs/dbraw/zinc/26/29/24/582262924.db2.gz NCKVIRFWUXUPFD-AEJSXWLSSA-N 1 2 277.390 -1.091 20 0 CAADLO C[C@@H]1[C@@H](C)S(=O)(=O)CCN1C(=O)[C@@H](N)C[NH+](C)C ZINC000876673422 582262971 /nfs/dbraw/zinc/26/29/71/582262971.db2.gz NCKVIRFWUXUPFD-BBBLOLIVSA-N 1 2 277.390 -1.091 20 0 CAADLO COC(=O)[C@H]1COCCN1C(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000876880463 582263616 /nfs/dbraw/zinc/26/36/16/582263616.db2.gz JPFGASVBMPOVEM-VHSXEESVSA-N 1 2 299.327 -1.793 20 0 CAADLO CCn1ncc(CNC(=O)CN2CC[NH2+]CC2=O)n1 ZINC000876989668 582263946 /nfs/dbraw/zinc/26/39/46/582263946.db2.gz BQHQAUTXXQLJFV-UHFFFAOYSA-N 1 2 266.305 -1.654 20 0 CAADLO CON(C)C(=O)[C@H](C)NC(=O)CN1CC[NH2+]CC1=O ZINC000877089756 582264303 /nfs/dbraw/zinc/26/43/03/582264303.db2.gz USGKJSOIYTZPGF-QMMMGPOBSA-N 1 2 272.305 -2.057 20 0 CAADLO C[C@H](C(=O)N1C[C@@H]2COC(=O)[C@@H]2C1)N1CC[NH2+]CC1=O ZINC000877114238 582264379 /nfs/dbraw/zinc/26/43/79/582264379.db2.gz NGFYNLBDVMTETG-OPRDCNLKSA-N 1 2 281.312 -1.562 20 0 CAADLO CON(C)C(=O)[C@@H](C)NC(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000877112810 582264427 /nfs/dbraw/zinc/26/44/27/582264427.db2.gz XNJZJUCXJKIZON-BDAKNGLRSA-N 1 2 286.332 -1.669 20 0 CAADLO CON(C)C(=O)[C@@H](C)NC(=O)CN1CC[NH2+]CC1=O ZINC000877108840 582264441 /nfs/dbraw/zinc/26/44/41/582264441.db2.gz USGKJSOIYTZPGF-MRVPVSSYSA-N 1 2 272.305 -2.057 20 0 CAADLO O=C(CN1CC[NH2+]CC1=O)N1CCO[C@H](C(F)F)C1 ZINC000877298526 582265132 /nfs/dbraw/zinc/26/51/32/582265132.db2.gz ALENOJXRDLBWRQ-QMMMGPOBSA-N 1 2 277.271 -1.089 20 0 CAADLO CC[C@H]1COCC[N@@H+]1CCNC(=O)CN1CCNCC1=O ZINC000877432764 582265203 /nfs/dbraw/zinc/26/52/03/582265203.db2.gz GNFZXFNJCMCAPE-LBPRGKRZSA-N 1 2 298.387 -1.355 20 0 CAADLO CC[C@H]1COCC[N@H+]1CCNC(=O)CN1CCNCC1=O ZINC000877432764 582265204 /nfs/dbraw/zinc/26/52/04/582265204.db2.gz GNFZXFNJCMCAPE-LBPRGKRZSA-N 1 2 298.387 -1.355 20 0 CAADLO O=C([C@H]1CCCO1)N1CC[NH+](CCn2cnnn2)CC1 ZINC000877945164 582265342 /nfs/dbraw/zinc/26/53/42/582265342.db2.gz MSEHYFHVQKGZCX-LLVKDONJSA-N 1 2 280.332 -1.004 20 0 CAADLO COC(=O)C[C@H]1C(=O)NCC[N@H+]1C[C@H](O)CC(C)(C)O ZINC000877902699 582265364 /nfs/dbraw/zinc/26/53/64/582265364.db2.gz FDOKUESEABZHEG-ZJUUUORDSA-N 1 2 288.344 -1.128 20 0 CAADLO COC(=O)C[C@H]1C(=O)NCC[N@@H+]1C[C@H](O)CC(C)(C)O ZINC000877902699 582265365 /nfs/dbraw/zinc/26/53/65/582265365.db2.gz FDOKUESEABZHEG-ZJUUUORDSA-N 1 2 288.344 -1.128 20 0 CAADLO COC(=O)C[C@@H]1C(=O)NCC[N@H+]1C[C@@H](O)CC(C)(C)O ZINC000877902698 582265406 /nfs/dbraw/zinc/26/54/06/582265406.db2.gz FDOKUESEABZHEG-VHSXEESVSA-N 1 2 288.344 -1.128 20 0 CAADLO COC(=O)C[C@@H]1C(=O)NCC[N@@H+]1C[C@@H](O)CC(C)(C)O ZINC000877902698 582265408 /nfs/dbraw/zinc/26/54/08/582265408.db2.gz FDOKUESEABZHEG-VHSXEESVSA-N 1 2 288.344 -1.128 20 0 CAADLO COC(=O)[C@@H]1C[N@H+](CCc2nnnn2C)CCO1 ZINC000878048476 582265549 /nfs/dbraw/zinc/26/55/49/582265549.db2.gz AQGWEMRDDYDLQH-QMMMGPOBSA-N 1 2 255.278 -1.374 20 0 CAADLO COC(=O)[C@@H]1C[N@@H+](CCc2nnnn2C)CCO1 ZINC000878048476 582265550 /nfs/dbraw/zinc/26/55/50/582265550.db2.gz AQGWEMRDDYDLQH-QMMMGPOBSA-N 1 2 255.278 -1.374 20 0 CAADLO O=C(C[C@H]1CCNC1=O)NCC[NH+]1CCOCC1 ZINC000877962808 582265552 /nfs/dbraw/zinc/26/55/52/582265552.db2.gz XLYILGJCOWMZDU-SNVBAGLBSA-N 1 2 255.318 -1.039 20 0 CAADLO CN(C)C(=O)C[NH+]1CCN(C(=O)C[C@@H]2CCNC2=O)CC1 ZINC000877972790 582265569 /nfs/dbraw/zinc/26/55/69/582265569.db2.gz OFRYGUDSSKOJKH-NSHDSACASA-N 1 2 296.371 -1.255 20 0 CAADLO COC(=O)CN(CCn1cnnn1)CC[NH+]1CCOCC1 ZINC000878112118 582265743 /nfs/dbraw/zinc/26/57/43/582265743.db2.gz HLUPIJYHDJRHCU-UHFFFAOYSA-N 1 2 298.347 -1.520 20 0 CAADLO O=C1NC[C@@H]2C[N@H+](CCn3cnnn3)CCN2C1=O ZINC000878194044 582265812 /nfs/dbraw/zinc/26/58/12/582265812.db2.gz DOMPGKZCOZNJJR-MRVPVSSYSA-N 1 2 265.277 -2.684 20 0 CAADLO O=C1NC[C@@H]2C[N@@H+](CCn3cnnn3)CCN2C1=O ZINC000878194044 582265814 /nfs/dbraw/zinc/26/58/14/582265814.db2.gz DOMPGKZCOZNJJR-MRVPVSSYSA-N 1 2 265.277 -2.684 20 0 CAADLO C[C@H](C[NH+]1CCOCC1)NC(=O)c1nnn(C)n1 ZINC000878236763 582265972 /nfs/dbraw/zinc/26/59/72/582265972.db2.gz OFQOPJSHIULGES-MRVPVSSYSA-N 1 2 254.294 -1.339 20 0 CAADLO CNC(=O)N1CC[NH+](CCc2nnnn2C)CC1 ZINC000878262103 582265982 /nfs/dbraw/zinc/26/59/82/582265982.db2.gz JJPXJWWHPJHLQB-UHFFFAOYSA-N 1 2 253.310 -1.290 20 0 CAADLO COC(=O)[C@@H]1[C@H](O)CCC[N@@H+]1CCc1nnnn1C ZINC000878477919 582266242 /nfs/dbraw/zinc/26/62/42/582266242.db2.gz VYNKRCYARXSIFZ-SCZZXKLOSA-N 1 2 269.305 -1.249 20 0 CAADLO COC(=O)[C@@H]1[C@H](O)CCC[N@H+]1CCc1nnnn1C ZINC000878477919 582266243 /nfs/dbraw/zinc/26/62/43/582266243.db2.gz VYNKRCYARXSIFZ-SCZZXKLOSA-N 1 2 269.305 -1.249 20 0 CAADLO COC(=O)[C@H]1[C@H](O)CCC[N@@H+]1CCn1cnnn1 ZINC000878477917 582266259 /nfs/dbraw/zinc/26/62/59/582266259.db2.gz VYAQVNCHVQJMBA-RKDXNWHRSA-N 1 2 255.278 -1.329 20 0 CAADLO COC(=O)[C@H]1[C@H](O)CCC[N@H+]1CCn1cnnn1 ZINC000878477917 582266260 /nfs/dbraw/zinc/26/62/60/582266260.db2.gz VYAQVNCHVQJMBA-RKDXNWHRSA-N 1 2 255.278 -1.329 20 0 CAADLO COC(=O)C[C@@H]1COCC[N@@H+]1CCn1cnnn1 ZINC000878619459 582266417 /nfs/dbraw/zinc/26/64/17/582266417.db2.gz MRWVJWSXXUNNAZ-SECBINFHSA-N 1 2 255.278 -1.063 20 0 CAADLO COC(=O)C[C@@H]1COCC[N@H+]1CCn1cnnn1 ZINC000878619459 582266418 /nfs/dbraw/zinc/26/64/18/582266418.db2.gz MRWVJWSXXUNNAZ-SECBINFHSA-N 1 2 255.278 -1.063 20 0 CAADLO COCC(COC)N1CC[NH+](CCn2cnnn2)CC1 ZINC000878708064 582266432 /nfs/dbraw/zinc/26/64/32/582266432.db2.gz SRCUEKSYWHDARR-UHFFFAOYSA-N 1 2 284.364 -1.048 20 0 CAADLO CNS(=O)(=O)N1CC[NH+](CCn2cnnn2)CC1 ZINC000878617419 582266454 /nfs/dbraw/zinc/26/64/54/582266454.db2.gz NYLBAJRYZWURFP-UHFFFAOYSA-N 1 2 275.338 -2.245 20 0 CAADLO CON(C)C(=O)C[NH+]1CCN(c2nc[nH]n2)CC1 ZINC000878824295 582266561 /nfs/dbraw/zinc/26/65/61/582266561.db2.gz RDPKNEUMOVBBNC-UHFFFAOYSA-N 1 2 254.294 -1.054 20 0 CAADLO O=C1CC[C@@H]([NH+]2CCN(Cc3nc[nH]n3)CC2)C(=O)N1 ZINC000878809960 582266576 /nfs/dbraw/zinc/26/65/76/582266576.db2.gz PEILUMSWHXGZQB-SECBINFHSA-N 1 2 278.316 -1.273 20 0 CAADLO Cn1nnnc1CC[NH+]1CCN(Cc2nnc[nH]2)CC1 ZINC000878811908 582266585 /nfs/dbraw/zinc/26/65/85/582266585.db2.gz SZZXEPYWBQPUCV-UHFFFAOYSA-N 1 2 277.336 -1.312 20 0 CAADLO Cn1nnnc1CC[NH+]1CCN(Cc2nc[nH]n2)CC1 ZINC000878811908 582266586 /nfs/dbraw/zinc/26/65/86/582266586.db2.gz SZZXEPYWBQPUCV-UHFFFAOYSA-N 1 2 277.336 -1.312 20 0 CAADLO COC(=O)[C@@H]1C[N@H+](CCn2cnnn2)C[C@@H](C)O1 ZINC000879038085 582267030 /nfs/dbraw/zinc/26/70/30/582267030.db2.gz MHNNNKCTYOYRBP-BDAKNGLRSA-N 1 2 255.278 -1.065 20 0 CAADLO COC(=O)[C@@H]1C[N@@H+](CCn2cnnn2)C[C@@H](C)O1 ZINC000879038085 582267031 /nfs/dbraw/zinc/26/70/31/582267031.db2.gz MHNNNKCTYOYRBP-BDAKNGLRSA-N 1 2 255.278 -1.065 20 0 CAADLO COC(=O)[C@@](C)(O)C[N@@H+]1CCO[C@H](Cn2ccnn2)C1 ZINC000878985084 582267037 /nfs/dbraw/zinc/26/70/37/582267037.db2.gz BGJVVVRKYVXUJK-JQWIXIFHSA-N 1 2 284.316 -1.097 20 0 CAADLO COC(=O)[C@@](C)(O)C[N@H+]1CCO[C@H](Cn2ccnn2)C1 ZINC000878985084 582267038 /nfs/dbraw/zinc/26/70/38/582267038.db2.gz BGJVVVRKYVXUJK-JQWIXIFHSA-N 1 2 284.316 -1.097 20 0 CAADLO c1cn(C[C@@H]2C[N@H+](CCn3cnnn3)CCO2)nn1 ZINC000878988900 582267067 /nfs/dbraw/zinc/26/70/67/582267067.db2.gz YHXVLAWTVLJYTD-JTQLQIEISA-N 1 2 264.293 -1.334 20 0 CAADLO c1cn(C[C@@H]2C[N@@H+](CCn3cnnn3)CCO2)nn1 ZINC000878988900 582267068 /nfs/dbraw/zinc/26/70/68/582267068.db2.gz YHXVLAWTVLJYTD-JTQLQIEISA-N 1 2 264.293 -1.334 20 0 CAADLO COC(=O)[C@](C)(O)C[N@@H+]1CCO[C@H](Cn2ccnn2)C1 ZINC000878985083 582267071 /nfs/dbraw/zinc/26/70/71/582267071.db2.gz BGJVVVRKYVXUJK-CMPLNLGQSA-N 1 2 284.316 -1.097 20 0 CAADLO COC(=O)[C@](C)(O)C[N@H+]1CCO[C@H](Cn2ccnn2)C1 ZINC000878985083 582267073 /nfs/dbraw/zinc/26/70/73/582267073.db2.gz BGJVVVRKYVXUJK-CMPLNLGQSA-N 1 2 284.316 -1.097 20 0 CAADLO Cn1nnc(C(=O)NC[C@H]2C[NH+]3CCN2CC3)n1 ZINC000879248281 582267367 /nfs/dbraw/zinc/26/73/67/582267367.db2.gz QBPKMKNDCABVGA-QMMMGPOBSA-N 1 2 251.294 -2.060 20 0 CAADLO O=C1NCCO[C@@H]2CCC[N@H+](CCn3cnnn3)[C@H]12 ZINC000879727552 582268168 /nfs/dbraw/zinc/26/81/68/582268168.db2.gz GBXIWVLFOFNBLY-ZJUUUORDSA-N 1 2 266.305 -1.348 20 0 CAADLO O=C1NCCO[C@@H]2CCC[N@@H+](CCn3cnnn3)[C@H]12 ZINC000879727552 582268169 /nfs/dbraw/zinc/26/81/69/582268169.db2.gz GBXIWVLFOFNBLY-ZJUUUORDSA-N 1 2 266.305 -1.348 20 0 CAADLO CNS(=O)(=O)CC[N@@H+]1CCC[C@@H]2OCCNC(=O)[C@@H]21 ZINC000879729173 582268193 /nfs/dbraw/zinc/26/81/93/582268193.db2.gz WZUHHIPJKJSQAI-VHSXEESVSA-N 1 2 291.373 -1.485 20 0 CAADLO CNS(=O)(=O)CC[N@H+]1CCC[C@@H]2OCCNC(=O)[C@@H]21 ZINC000879729173 582268194 /nfs/dbraw/zinc/26/81/94/582268194.db2.gz WZUHHIPJKJSQAI-VHSXEESVSA-N 1 2 291.373 -1.485 20 0 CAADLO Cn1nnnc1CC[N@@H+]1CCC[C@H]2OCCNC(=O)[C@@H]21 ZINC000879727943 582268229 /nfs/dbraw/zinc/26/82/29/582268229.db2.gz KCSJDRSCPWQNBC-MWLCHTKSSA-N 1 2 280.332 -1.268 20 0 CAADLO Cn1nnnc1CC[N@H+]1CCC[C@H]2OCCNC(=O)[C@@H]21 ZINC000879727943 582268230 /nfs/dbraw/zinc/26/82/30/582268230.db2.gz KCSJDRSCPWQNBC-MWLCHTKSSA-N 1 2 280.332 -1.268 20 0 CAADLO Cn1nnnc1CC[N@@H+]1CCC[C@@H]2OCCNC(=O)[C@@H]21 ZINC000879727937 582268234 /nfs/dbraw/zinc/26/82/34/582268234.db2.gz KCSJDRSCPWQNBC-GXSJLCMTSA-N 1 2 280.332 -1.268 20 0 CAADLO Cn1nnnc1CC[N@H+]1CCC[C@@H]2OCCNC(=O)[C@@H]21 ZINC000879727937 582268235 /nfs/dbraw/zinc/26/82/35/582268235.db2.gz KCSJDRSCPWQNBC-GXSJLCMTSA-N 1 2 280.332 -1.268 20 0 CAADLO Cn1nnnc1CC[N@@H+]1CCC[C@H]2OCCNC(=O)[C@H]21 ZINC000879727940 582268274 /nfs/dbraw/zinc/26/82/74/582268274.db2.gz KCSJDRSCPWQNBC-KOLCDFICSA-N 1 2 280.332 -1.268 20 0 CAADLO Cn1nnnc1CC[N@H+]1CCC[C@H]2OCCNC(=O)[C@H]21 ZINC000879727940 582268275 /nfs/dbraw/zinc/26/82/75/582268275.db2.gz KCSJDRSCPWQNBC-KOLCDFICSA-N 1 2 280.332 -1.268 20 0 CAADLO Cn1nnnc1CC[N@@H+]1CCC[C@@H]2OCCNC(=O)[C@H]21 ZINC000879727946 582268288 /nfs/dbraw/zinc/26/82/88/582268288.db2.gz KCSJDRSCPWQNBC-ONGXEEELSA-N 1 2 280.332 -1.268 20 0 CAADLO Cn1nnnc1CC[N@H+]1CCC[C@@H]2OCCNC(=O)[C@H]21 ZINC000879727946 582268290 /nfs/dbraw/zinc/26/82/90/582268290.db2.gz KCSJDRSCPWQNBC-ONGXEEELSA-N 1 2 280.332 -1.268 20 0 CAADLO O=C(COC1CC1)N[C@H](CO)C[NH+]1CCOCC1 ZINC000879859071 582268335 /nfs/dbraw/zinc/26/83/35/582268335.db2.gz OFJKSEUGASIMHH-JTQLQIEISA-N 1 2 258.318 -1.025 20 0 CAADLO COC(=O)[C@H]1C[C@@H](O)C[N@@H+]1C[C@@](C)(O)C(=O)OC ZINC000879743721 582268337 /nfs/dbraw/zinc/26/83/37/582268337.db2.gz CXYQTIQVJWBEKK-SOCHQFKDSA-N 1 2 261.274 -1.481 20 0 CAADLO COC(=O)[C@H]1C[C@@H](O)C[N@H+]1C[C@@](C)(O)C(=O)OC ZINC000879743721 582268338 /nfs/dbraw/zinc/26/83/38/582268338.db2.gz CXYQTIQVJWBEKK-SOCHQFKDSA-N 1 2 261.274 -1.481 20 0 CAADLO CCOC(=O)C[C@@H](O)C[N@@H+]1C[C@H](O)C[C@@H]1C(=O)OC ZINC000879742760 582268345 /nfs/dbraw/zinc/26/83/45/582268345.db2.gz PDSYJCSITPGSDG-OPRDCNLKSA-N 1 2 275.301 -1.091 20 0 CAADLO CCOC(=O)C[C@@H](O)C[N@H+]1C[C@H](O)C[C@@H]1C(=O)OC ZINC000879742760 582268346 /nfs/dbraw/zinc/26/83/46/582268346.db2.gz PDSYJCSITPGSDG-OPRDCNLKSA-N 1 2 275.301 -1.091 20 0 CAADLO COC(=O)[C@H]1C[C@@H](O)C[N@@H+]1C[C@](C)(O)C(=O)OC ZINC000879743722 582268383 /nfs/dbraw/zinc/26/83/83/582268383.db2.gz CXYQTIQVJWBEKK-XLDPMVHQSA-N 1 2 261.274 -1.481 20 0 CAADLO COC(=O)[C@H]1C[C@@H](O)C[N@H+]1C[C@](C)(O)C(=O)OC ZINC000879743722 582268384 /nfs/dbraw/zinc/26/83/84/582268384.db2.gz CXYQTIQVJWBEKK-XLDPMVHQSA-N 1 2 261.274 -1.481 20 0 CAADLO C[S@](=N)(=O)N1CC[NH+](CCN2C(=O)CNC2=O)CC1 ZINC000879942905 582268518 /nfs/dbraw/zinc/26/85/18/582268518.db2.gz SFGYFHRMLOKCPB-LJQANCHMSA-N 1 2 289.361 -1.253 20 0 CAADLO CNC(=O)CN(CC[N@@H+]1CCO[C@@H](C)C1)CC(=O)NC ZINC000880152867 582268953 /nfs/dbraw/zinc/26/89/53/582268953.db2.gz XRGBQBOOOBDINI-NSHDSACASA-N 1 2 286.376 -1.499 20 0 CAADLO CNC(=O)CN(CC[N@H+]1CCO[C@@H](C)C1)CC(=O)NC ZINC000880152867 582268955 /nfs/dbraw/zinc/26/89/55/582268955.db2.gz XRGBQBOOOBDINI-NSHDSACASA-N 1 2 286.376 -1.499 20 0 CAADLO C[C@@H]1NC(=O)N(CC[N@@H+]2CCCNC(=O)C2)C1=O ZINC000880141271 582268970 /nfs/dbraw/zinc/26/89/70/582268970.db2.gz OQNXCIHQYCREPY-QMMMGPOBSA-N 1 2 254.290 -1.251 20 0 CAADLO C[C@@H]1NC(=O)N(CC[N@H+]2CCCNC(=O)C2)C1=O ZINC000880141271 582268971 /nfs/dbraw/zinc/26/89/71/582268971.db2.gz OQNXCIHQYCREPY-QMMMGPOBSA-N 1 2 254.290 -1.251 20 0 CAADLO O=C(C[N@@H+]1CCNC(=O)CC12CCC2)N1CCNC(=O)C1 ZINC000880173007 582269239 /nfs/dbraw/zinc/26/92/39/582269239.db2.gz RZCYHLJXPIUQCG-UHFFFAOYSA-N 1 2 294.355 -1.311 20 0 CAADLO O=C(C[N@H+]1CCNC(=O)CC12CCC2)N1CCNC(=O)C1 ZINC000880173007 582269240 /nfs/dbraw/zinc/26/92/40/582269240.db2.gz RZCYHLJXPIUQCG-UHFFFAOYSA-N 1 2 294.355 -1.311 20 0 CAADLO C[C@@H](NC(=O)C[N@@H+]1CC=C[C@@H]1CO)C(=O)N(C)C ZINC000880485130 582269463 /nfs/dbraw/zinc/26/94/63/582269463.db2.gz DUEXWGFUZOWNPX-NXEZZACHSA-N 1 2 255.318 -1.188 20 0 CAADLO C[C@@H](NC(=O)C[N@H+]1CC=C[C@@H]1CO)C(=O)N(C)C ZINC000880485130 582269464 /nfs/dbraw/zinc/26/94/64/582269464.db2.gz DUEXWGFUZOWNPX-NXEZZACHSA-N 1 2 255.318 -1.188 20 0 CAADLO C[C@@H](NC(=O)C[N@@H+]1CC=C[C@H]1CO)C(=O)N(C)C ZINC000880485143 582269529 /nfs/dbraw/zinc/26/95/29/582269529.db2.gz DUEXWGFUZOWNPX-ZJUUUORDSA-N 1 2 255.318 -1.188 20 0 CAADLO C[C@@H](NC(=O)C[N@H+]1CC=C[C@H]1CO)C(=O)N(C)C ZINC000880485143 582269530 /nfs/dbraw/zinc/26/95/30/582269530.db2.gz DUEXWGFUZOWNPX-ZJUUUORDSA-N 1 2 255.318 -1.188 20 0 CAADLO COC(=O)CNC(=O)C[N@@H+]1CCC[C@@H]2CCNC(=O)[C@H]21 ZINC000880532490 582269648 /nfs/dbraw/zinc/26/96/48/582269648.db2.gz UDNHFWYCUNWTQV-SKDRFNHKSA-N 1 2 283.328 -1.124 20 0 CAADLO COC(=O)CNC(=O)C[N@H+]1CCC[C@@H]2CCNC(=O)[C@H]21 ZINC000880532490 582269649 /nfs/dbraw/zinc/26/96/49/582269649.db2.gz UDNHFWYCUNWTQV-SKDRFNHKSA-N 1 2 283.328 -1.124 20 0 CAADLO NS(=O)(=O)CC[N@@H+]1CCC[C@@H]2CCNC(=O)[C@@H]21 ZINC000880528901 582269693 /nfs/dbraw/zinc/26/96/93/582269693.db2.gz HOKCUPWXKKGWDX-RKDXNWHRSA-N 1 2 261.347 -1.125 20 0 CAADLO NS(=O)(=O)CC[N@H+]1CCC[C@@H]2CCNC(=O)[C@@H]21 ZINC000880528901 582269694 /nfs/dbraw/zinc/26/96/94/582269694.db2.gz HOKCUPWXKKGWDX-RKDXNWHRSA-N 1 2 261.347 -1.125 20 0 CAADLO COC(=O)[C@]1(O)CC[N@H+](CC(=O)NC[C@H]2CCCO2)C1 ZINC000880557987 582269743 /nfs/dbraw/zinc/26/97/43/582269743.db2.gz HAYPOKPFOCFCBD-MFKMUULPSA-N 1 2 286.328 -1.109 20 0 CAADLO COC(=O)[C@]1(O)CC[N@@H+](CC(=O)NC[C@H]2CCCO2)C1 ZINC000880557987 582269744 /nfs/dbraw/zinc/26/97/44/582269744.db2.gz HAYPOKPFOCFCBD-MFKMUULPSA-N 1 2 286.328 -1.109 20 0 CAADLO O=C(C[N@@H+]1CCC[C@@H]2CCNC(=O)[C@H]21)N1CCNC(=O)C1 ZINC000880532137 582269767 /nfs/dbraw/zinc/26/97/67/582269767.db2.gz MZBBGHJTASAULI-MFKMUULPSA-N 1 2 294.355 -1.455 20 0 CAADLO O=C(C[N@H+]1CCC[C@@H]2CCNC(=O)[C@H]21)N1CCNC(=O)C1 ZINC000880532137 582269768 /nfs/dbraw/zinc/26/97/68/582269768.db2.gz MZBBGHJTASAULI-MFKMUULPSA-N 1 2 294.355 -1.455 20 0 CAADLO COC(=O)[C@]1(O)CC[N@@H+]([C@H](C)c2nnnn2C)C1 ZINC000880566598 582269858 /nfs/dbraw/zinc/26/98/58/582269858.db2.gz OKMCCAMNXROXNW-XCBNKYQSSA-N 1 2 255.278 -1.119 20 0 CAADLO COC(=O)[C@]1(O)CC[N@H+]([C@H](C)c2nnnn2C)C1 ZINC000880566598 582269859 /nfs/dbraw/zinc/26/98/59/582269859.db2.gz OKMCCAMNXROXNW-XCBNKYQSSA-N 1 2 255.278 -1.119 20 0 CAADLO COC(=O)[C@@]1(O)CC[N@@H+]([C@@H](C)c2nnnn2C)C1 ZINC000880566597 582270000 /nfs/dbraw/zinc/27/00/00/582270000.db2.gz OKMCCAMNXROXNW-OIBJUYFYSA-N 1 2 255.278 -1.119 20 0 CAADLO COC(=O)[C@@]1(O)CC[N@H+]([C@@H](C)c2nnnn2C)C1 ZINC000880566597 582270001 /nfs/dbraw/zinc/27/00/01/582270001.db2.gz OKMCCAMNXROXNW-OIBJUYFYSA-N 1 2 255.278 -1.119 20 0 CAADLO C[N@@H+]1CCn2nc(NC(=O)N3C[C@@H](O)[C@@H](O)C3)cc2C1 ZINC000880817519 582270103 /nfs/dbraw/zinc/27/01/03/582270103.db2.gz ULFMMUWRGKUQFV-AOOOYVTPSA-N 1 2 281.316 -1.102 20 0 CAADLO C[N@H+]1CCn2nc(NC(=O)N3C[C@@H](O)[C@@H](O)C3)cc2C1 ZINC000880817519 582270104 /nfs/dbraw/zinc/27/01/04/582270104.db2.gz ULFMMUWRGKUQFV-AOOOYVTPSA-N 1 2 281.316 -1.102 20 0 CAADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)C[C@@H]1CCNC1=O ZINC000880851311 582270169 /nfs/dbraw/zinc/27/01/69/582270169.db2.gz OGTROUZTPVASQN-UWVGGRQHSA-N 1 2 255.318 -1.041 20 0 CAADLO C[N@H+]1CCOC[C@@H]1CNC(=O)C[C@@H]1CCNC1=O ZINC000880851311 582270171 /nfs/dbraw/zinc/27/01/71/582270171.db2.gz OGTROUZTPVASQN-UWVGGRQHSA-N 1 2 255.318 -1.041 20 0 CAADLO C[N@@H+]1CCO[C@@H](CS(=O)(=O)N2CC=C[C@H]2CO)C1 ZINC000882787079 582271550 /nfs/dbraw/zinc/27/15/50/582271550.db2.gz FPAMXPXGTGJNBD-WDEREUQCSA-N 1 2 276.358 -1.121 20 0 CAADLO C[N@H+]1CCO[C@@H](CS(=O)(=O)N2CC=C[C@H]2CO)C1 ZINC000882787079 582271551 /nfs/dbraw/zinc/27/15/51/582271551.db2.gz FPAMXPXGTGJNBD-WDEREUQCSA-N 1 2 276.358 -1.121 20 0 CAADLO C[N@@H+]1CCO[C@H](CS(=O)(=O)N2CC=C[C@@H]2CO)C1 ZINC000882787077 582271596 /nfs/dbraw/zinc/27/15/96/582271596.db2.gz FPAMXPXGTGJNBD-MNOVXSKESA-N 1 2 276.358 -1.121 20 0 CAADLO C[N@H+]1CCO[C@H](CS(=O)(=O)N2CC=C[C@@H]2CO)C1 ZINC000882787077 582271597 /nfs/dbraw/zinc/27/15/97/582271597.db2.gz FPAMXPXGTGJNBD-MNOVXSKESA-N 1 2 276.358 -1.121 20 0 CAADLO CC[N@@H+]1CCOC[C@H]1C(=O)N1CC[C@@](O)(C(=O)OC)C1 ZINC000882853872 582271831 /nfs/dbraw/zinc/27/18/31/582271831.db2.gz UMJRHAZUOCKNFV-GWCFXTLKSA-N 1 2 286.328 -1.157 20 0 CAADLO CC[N@H+]1CCOC[C@H]1C(=O)N1CC[C@@](O)(C(=O)OC)C1 ZINC000882853872 582271832 /nfs/dbraw/zinc/27/18/32/582271832.db2.gz UMJRHAZUOCKNFV-GWCFXTLKSA-N 1 2 286.328 -1.157 20 0 CAADLO CC[N@@H+]1CCOC[C@@H]1C(=O)N1CC[C@](O)(C(=O)OC)C1 ZINC000882853875 582271918 /nfs/dbraw/zinc/27/19/18/582271918.db2.gz UMJRHAZUOCKNFV-ZWNOBZJWSA-N 1 2 286.328 -1.157 20 0 CAADLO CC[N@H+]1CCOC[C@@H]1C(=O)N1CC[C@](O)(C(=O)OC)C1 ZINC000882853875 582271919 /nfs/dbraw/zinc/27/19/19/582271919.db2.gz UMJRHAZUOCKNFV-ZWNOBZJWSA-N 1 2 286.328 -1.157 20 0 CAADLO C[C@H]1C[N@H+](CCOC(=O)CN2CC(=O)NC2=O)CCO1 ZINC000800167044 582273168 /nfs/dbraw/zinc/27/31/68/582273168.db2.gz YKNLMLYDVDSFQV-VIFPVBQESA-N 1 2 285.300 -1.198 20 0 CAADLO C[C@H]1C[N@@H+](CCOC(=O)CN2CC(=O)NC2=O)CCO1 ZINC000800167044 582273169 /nfs/dbraw/zinc/27/31/69/582273169.db2.gz YKNLMLYDVDSFQV-VIFPVBQESA-N 1 2 285.300 -1.198 20 0 CAADLO Cc1[nH]ncc1CNC(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000884636133 582275668 /nfs/dbraw/zinc/27/56/68/582275668.db2.gz URLZCGCMHLXSBT-UWVGGRQHSA-N 1 2 263.301 -1.093 20 0 CAADLO COC(=O)N[C@H]1CC[N@H+](CC(=O)N2CCNC2=O)C1 ZINC000886867489 582279265 /nfs/dbraw/zinc/27/92/65/582279265.db2.gz GKCUNXFDNWRJAN-QMMMGPOBSA-N 1 2 270.289 -1.032 20 0 CAADLO COC(=O)N[C@H]1CC[N@@H+](CC(=O)N2CCNC2=O)C1 ZINC000886867489 582279266 /nfs/dbraw/zinc/27/92/66/582279266.db2.gz GKCUNXFDNWRJAN-QMMMGPOBSA-N 1 2 270.289 -1.032 20 0 CAADLO COC(=O)N[C@H]1CC[N@@H+]([C@@H]2CC(=O)N(CCCO)C2=O)C1 ZINC000887306340 582280868 /nfs/dbraw/zinc/28/08/68/582280868.db2.gz PYZAMZTXVWKNSC-VHSXEESVSA-N 1 2 299.327 -1.073 20 0 CAADLO COC(=O)N[C@H]1CC[N@H+]([C@@H]2CC(=O)N(CCCO)C2=O)C1 ZINC000887306340 582280869 /nfs/dbraw/zinc/28/08/69/582280869.db2.gz PYZAMZTXVWKNSC-VHSXEESVSA-N 1 2 299.327 -1.073 20 0 CAADLO Cn1cc(-n2cc(C[NH+](CCO)CCO)nn2)cn1 ZINC000887419152 582280881 /nfs/dbraw/zinc/28/08/81/582280881.db2.gz FRTVHHYVZKHTAO-UHFFFAOYSA-N 1 2 266.305 -1.213 20 0 CAADLO CN(C(=O)NC[C@H]1COCC[N@@H+]1C)[C@@H]1COC[C@H]1O ZINC000889447550 582281518 /nfs/dbraw/zinc/28/15/18/582281518.db2.gz UUEJOEJQFPLZJE-HBNTYKKESA-N 1 2 273.333 -1.282 20 0 CAADLO CN(C(=O)NC[C@H]1COCC[N@H+]1C)[C@@H]1COC[C@H]1O ZINC000889447550 582281519 /nfs/dbraw/zinc/28/15/19/582281519.db2.gz UUEJOEJQFPLZJE-HBNTYKKESA-N 1 2 273.333 -1.282 20 0 CAADLO CC[N@@H+]1CCOC[C@@H]1C(=O)NCCCc1nnnn1C ZINC000890091671 582281677 /nfs/dbraw/zinc/28/16/77/582281677.db2.gz MLCZJKQCMRWXLF-SNVBAGLBSA-N 1 2 282.348 -1.020 20 0 CAADLO CC[N@H+]1CCOC[C@@H]1C(=O)NCCCc1nnnn1C ZINC000890091671 582281678 /nfs/dbraw/zinc/28/16/78/582281678.db2.gz MLCZJKQCMRWXLF-SNVBAGLBSA-N 1 2 282.348 -1.020 20 0 CAADLO CC[NH+]1CC(CCO)(NC(=O)Cn2cnnn2)C1 ZINC001276027561 782186413 /nfs/dbraw/zinc/18/64/13/782186413.db2.gz FXQWUKQMBHLTRP-UHFFFAOYSA-N 1 2 254.294 -1.754 20 0 CAADLO C[C@@H](C(=O)N(C)C)[N@@H+]1CCCN(C(=O)C(N)=O)CC1 ZINC000981861936 617298387 /nfs/dbraw/zinc/29/83/87/617298387.db2.gz NTFQNZZSCCHZAJ-VIFPVBQESA-N 1 2 270.333 -1.517 20 0 CAADLO C[C@@H](C(=O)N(C)C)[N@H+]1CCCN(C(=O)C(N)=O)CC1 ZINC000981861936 617298389 /nfs/dbraw/zinc/29/83/89/617298389.db2.gz NTFQNZZSCCHZAJ-VIFPVBQESA-N 1 2 270.333 -1.517 20 0 CAADLO C[C@@H](C(=O)N(C)C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ncn[nH]1 ZINC000962085196 617299416 /nfs/dbraw/zinc/29/94/16/617299416.db2.gz OJNLDGXEJBZILQ-AXTSPUMRSA-N 1 2 292.343 -1.059 20 0 CAADLO C[C@@H](C(=O)N(C)C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ncn[nH]1 ZINC000962085196 617299417 /nfs/dbraw/zinc/29/94/17/617299417.db2.gz OJNLDGXEJBZILQ-AXTSPUMRSA-N 1 2 292.343 -1.059 20 0 CAADLO C[C@@H](C(=O)N(C)C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1nc[nH]n1 ZINC000962085196 617299418 /nfs/dbraw/zinc/29/94/18/617299418.db2.gz OJNLDGXEJBZILQ-AXTSPUMRSA-N 1 2 292.343 -1.059 20 0 CAADLO C[C@@H](C(=O)N(C)C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1nc[nH]n1 ZINC000962085196 617299419 /nfs/dbraw/zinc/29/94/19/617299419.db2.gz OJNLDGXEJBZILQ-AXTSPUMRSA-N 1 2 292.343 -1.059 20 0 CAADLO CC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)CC(N)=O)C2)CC1 ZINC000956567918 613418095 /nfs/dbraw/zinc/41/80/95/613418095.db2.gz URSFKXUOZXJYKK-LLVKDONJSA-N 1 2 282.344 -1.373 20 0 CAADLO CC(=O)N1CC[C@@H](C(=O)N2CC[NH+](CCO)CC2)C1 ZINC000957490885 613450513 /nfs/dbraw/zinc/45/05/13/613450513.db2.gz GMEWCHCDCLQISU-GFCCVEGCSA-N 1 2 269.345 -1.009 20 0 CAADLO CC(=O)N1CC[C@@H](C(=O)N[C@H](C)C2C[NH+](CC(N)=O)C2)C1 ZINC000970805863 613451150 /nfs/dbraw/zinc/45/11/50/613451150.db2.gz FYECWNOALWNFQL-MWLCHTKSSA-N 1 2 296.371 -1.223 20 0 CAADLO CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC000958881304 613654146 /nfs/dbraw/zinc/65/41/46/613654146.db2.gz QRYDEGPXRGGNSX-QWRGUYRKSA-N 1 2 266.301 -1.067 20 0 CAADLO CC(=O)N1C[C@H]2OCCN(C(=O)[C@H]3C[N@H+](C)CCO3)[C@H]2C1 ZINC000960174257 613672680 /nfs/dbraw/zinc/67/26/80/613672680.db2.gz XKQMMBYGISFDAL-YNEHKIRRSA-N 1 2 297.355 -1.225 20 0 CAADLO CC(=O)N1C[C@H]2OCCN(C(=O)[C@H]3C[N@@H+](C)CCO3)[C@H]2C1 ZINC000960174257 613672683 /nfs/dbraw/zinc/67/26/83/613672683.db2.gz XKQMMBYGISFDAL-YNEHKIRRSA-N 1 2 297.355 -1.225 20 0 CAADLO CC(=O)N1CC(C(=O)N2CCC[N@H+](CC(N)=O)CC2)C1 ZINC000981043555 613758560 /nfs/dbraw/zinc/75/85/60/613758560.db2.gz FKPLHQUEXQJACD-UHFFFAOYSA-N 1 2 282.344 -1.516 20 0 CAADLO CC(=O)N1CC(C(=O)N2CCC[N@@H+](CC(N)=O)CC2)C1 ZINC000981043555 613758562 /nfs/dbraw/zinc/75/85/62/613758562.db2.gz FKPLHQUEXQJACD-UHFFFAOYSA-N 1 2 282.344 -1.516 20 0 CAADLO CC(=O)N1CC(C(=O)N2CCC[N@@H+]([C@@H](C)C(N)=O)CC2)C1 ZINC000981054680 613759240 /nfs/dbraw/zinc/75/92/40/613759240.db2.gz LWUWGPZTORBDQW-JTQLQIEISA-N 1 2 296.371 -1.127 20 0 CAADLO CC(=O)N1CC(C(=O)N2CCC[N@H+]([C@@H](C)C(N)=O)CC2)C1 ZINC000981054680 613759241 /nfs/dbraw/zinc/75/92/41/613759241.db2.gz LWUWGPZTORBDQW-JTQLQIEISA-N 1 2 296.371 -1.127 20 0 CAADLO CC(=O)N1CC(C(=O)N[C@H](C)C2C[NH+](CC(N)=O)C2)C1 ZINC000969568448 613762474 /nfs/dbraw/zinc/76/24/74/613762474.db2.gz IRKKAPZCVOLOIN-MRVPVSSYSA-N 1 2 282.344 -1.614 20 0 CAADLO CC(=O)N1CC(C(=O)N[C@H]2C[N@@H+](CC(N)=O)CC[C@H]2C)C1 ZINC000965952421 613763055 /nfs/dbraw/zinc/76/30/55/613763055.db2.gz LVDZENPJLVSFFF-SKDRFNHKSA-N 1 2 296.371 -1.223 20 0 CAADLO CC(=O)N1CC(C(=O)N[C@H]2C[N@H+](CC(N)=O)CC[C@H]2C)C1 ZINC000965952421 613763060 /nfs/dbraw/zinc/76/30/60/613763060.db2.gz LVDZENPJLVSFFF-SKDRFNHKSA-N 1 2 296.371 -1.223 20 0 CAADLO CC(=O)NC[C@@H]1C[N@H+](Cc2cn(C)nn2)C[C@@H]1O ZINC000957786995 613797709 /nfs/dbraw/zinc/79/77/09/613797709.db2.gz BKEWPFBQIIMTJZ-KOLCDFICSA-N 1 2 253.306 -1.256 20 0 CAADLO CC(=O)NC[C@@H]1C[N@@H+](Cc2cn(C)nn2)C[C@@H]1O ZINC000957786995 613797712 /nfs/dbraw/zinc/79/77/12/613797712.db2.gz BKEWPFBQIIMTJZ-KOLCDFICSA-N 1 2 253.306 -1.256 20 0 CAADLO CC(=O)NC[C@@H]1C[N@@H+](Cc2nc(=O)n(C)[nH]2)C[C@@H]1O ZINC000957779893 613798927 /nfs/dbraw/zinc/79/89/27/613798927.db2.gz GTEQSKHMTDUUIK-BDAKNGLRSA-N 1 2 269.305 -1.963 20 0 CAADLO CC(=O)NC[C@@H]1C[N@H+](Cc2nc(=O)n(C)[nH]2)C[C@@H]1O ZINC000957779893 613798925 /nfs/dbraw/zinc/79/89/25/613798925.db2.gz GTEQSKHMTDUUIK-BDAKNGLRSA-N 1 2 269.305 -1.963 20 0 CAADLO CC(=O)NC[C@H]1C[N@H+](Cc2cn(C)nn2)C[C@@H]1O ZINC000957786999 613930642 /nfs/dbraw/zinc/93/06/42/613930642.db2.gz BKEWPFBQIIMTJZ-ONGXEEELSA-N 1 2 253.306 -1.256 20 0 CAADLO CC(=O)NC[C@H]1C[N@@H+](Cc2cn(C)nn2)C[C@@H]1O ZINC000957786999 613930643 /nfs/dbraw/zinc/93/06/43/613930643.db2.gz BKEWPFBQIIMTJZ-ONGXEEELSA-N 1 2 253.306 -1.256 20 0 CAADLO CC(=O)NC[C@H]1C[N@H+](Cc2nc(=O)n(C)[nH]2)C[C@H]1O ZINC000957779894 613931213 /nfs/dbraw/zinc/93/12/13/613931213.db2.gz GTEQSKHMTDUUIK-DTWKUNHWSA-N 1 2 269.305 -1.963 20 0 CAADLO CC(=O)NC[C@H]1C[N@@H+](Cc2nc(=O)n(C)[nH]2)C[C@H]1O ZINC000957779894 613931214 /nfs/dbraw/zinc/93/12/14/613931214.db2.gz GTEQSKHMTDUUIK-DTWKUNHWSA-N 1 2 269.305 -1.963 20 0 CAADLO CC(=O)NC[C@H]1COCCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000964049234 613934968 /nfs/dbraw/zinc/93/49/68/613934968.db2.gz POIZRCZWALEMRD-NWDGAFQWSA-N 1 2 285.344 -1.320 20 0 CAADLO CC(=O)NC[C@H]1COCCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000964049234 613934972 /nfs/dbraw/zinc/93/49/72/613934972.db2.gz POIZRCZWALEMRD-NWDGAFQWSA-N 1 2 285.344 -1.320 20 0 CAADLO CC(=O)N[C@@H](C)C1C[NH+](CC(=O)N2CCNC(=O)C2)C1 ZINC000969170150 613954380 /nfs/dbraw/zinc/95/43/80/613954380.db2.gz ILYWIDVMBWOUPK-VIFPVBQESA-N 1 2 282.344 -1.599 20 0 CAADLO CC(=O)N[C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@@H]1O ZINC000961071748 614034332 /nfs/dbraw/zinc/03/43/32/614034332.db2.gz SWJOXTMSNFBVEP-MNOVXSKESA-N 1 2 266.301 -1.032 20 0 CAADLO CC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCNC(=O)C2)CC1(C)C ZINC000972719567 614047982 /nfs/dbraw/zinc/04/79/82/614047982.db2.gz XVVOKFDHYPXOKS-LLVKDONJSA-N 1 2 296.371 -1.209 20 0 CAADLO CC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCNC(=O)C2)CC1(C)C ZINC000972719567 614047984 /nfs/dbraw/zinc/04/79/84/614047984.db2.gz XVVOKFDHYPXOKS-LLVKDONJSA-N 1 2 296.371 -1.209 20 0 CAADLO CC(=O)N[C@H](C)C1C[NH+](CC(=O)N2CCNC(=O)C2)C1 ZINC000969170149 614098752 /nfs/dbraw/zinc/09/87/52/614098752.db2.gz ILYWIDVMBWOUPK-SECBINFHSA-N 1 2 282.344 -1.599 20 0 CAADLO CC(C)(C(=O)N1CC[C@H](NC(=O)C(N)=O)C1)c1c[nH+]c[nH]1 ZINC000938580506 614294212 /nfs/dbraw/zinc/29/42/12/614294212.db2.gz CXZUXWDEUADLBW-QMMMGPOBSA-N 1 2 293.327 -1.110 20 0 CAADLO CC(C)(C(N)=O)C(=O)N1CCC[N@@H+]([C@@H]2CCNC2=O)CC1 ZINC000981384903 614309343 /nfs/dbraw/zinc/30/93/43/614309343.db2.gz DXFZKAKUJJPJDY-SNVBAGLBSA-N 1 2 296.371 -1.079 20 0 CAADLO CC(C)(C(N)=O)C(=O)N1CCC[N@H+]([C@@H]2CCNC2=O)CC1 ZINC000981384903 614309345 /nfs/dbraw/zinc/30/93/45/614309345.db2.gz DXFZKAKUJJPJDY-SNVBAGLBSA-N 1 2 296.371 -1.079 20 0 CAADLO CC(C)(C(N)=O)C(=O)N1CCC[N@@H+]([C@H]2CCNC2=O)CC1 ZINC000981384902 614309391 /nfs/dbraw/zinc/30/93/91/614309391.db2.gz DXFZKAKUJJPJDY-JTQLQIEISA-N 1 2 296.371 -1.079 20 0 CAADLO CC(C)(C(N)=O)C(=O)N1CCC[N@H+]([C@H]2CCNC2=O)CC1 ZINC000981384902 614309392 /nfs/dbraw/zinc/30/93/92/614309392.db2.gz DXFZKAKUJJPJDY-JTQLQIEISA-N 1 2 296.371 -1.079 20 0 CAADLO CC(C)(C(N)=O)C(=O)N1CC[NH+](CCn2cncn2)CC1 ZINC000948883013 614309903 /nfs/dbraw/zinc/30/99/03/614309903.db2.gz VDQIBIKGBLMOCE-UHFFFAOYSA-N 1 2 294.359 -1.066 20 0 CAADLO CC(C)n1cc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C(N)=O)nn1 ZINC000961635381 614355132 /nfs/dbraw/zinc/35/51/32/614355132.db2.gz FZZPITWTYCQZDP-URLYPYJESA-N 1 2 292.343 -1.109 20 0 CAADLO CC(C)n1cc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C(N)=O)nn1 ZINC000961635381 614355135 /nfs/dbraw/zinc/35/51/35/614355135.db2.gz FZZPITWTYCQZDP-URLYPYJESA-N 1 2 292.343 -1.109 20 0 CAADLO CCN(C(=O)C1CC(=O)NC(=O)C1)C1C[NH+](CCO)C1 ZINC000956953135 614569268 /nfs/dbraw/zinc/56/92/68/614569268.db2.gz MQCATHBHRMRDAU-UHFFFAOYSA-N 1 2 283.328 -1.436 20 0 CAADLO CCN(C(=O)[C@@H]1CC(=O)NC(=O)N1)C1C[NH+](CCO)C1 ZINC000952378491 614608328 /nfs/dbraw/zinc/60/83/28/614608328.db2.gz ISCCUMOZKDRQFI-VIFPVBQESA-N 1 2 284.316 -1.891 20 0 CAADLO CCN(C(=O)[C@@H]1CC(=O)NC(=O)N1)C1C[NH+](CCOC)C1 ZINC000952378462 614608379 /nfs/dbraw/zinc/60/83/79/614608379.db2.gz HVVKQFLDOYAYHK-JTQLQIEISA-N 1 2 298.343 -1.236 20 0 CAADLO CC1(C)C[N@H+](CC(=O)N2CCC2)C[C@@H]1NC(=O)C(N)=O ZINC000974986009 614610530 /nfs/dbraw/zinc/61/05/30/614610530.db2.gz PYGVTIRXESZNJB-VIFPVBQESA-N 1 2 282.344 -1.469 20 0 CAADLO CC1(C)C[N@@H+](CC(=O)N2CCC2)C[C@@H]1NC(=O)C(N)=O ZINC000974986009 614610532 /nfs/dbraw/zinc/61/05/32/614610532.db2.gz PYGVTIRXESZNJB-VIFPVBQESA-N 1 2 282.344 -1.469 20 0 CAADLO CC1(C)C[N@H+](CC(=O)N2CCCC2)C[C@H]1NC(=O)C(N)=O ZINC000974984875 614610820 /nfs/dbraw/zinc/61/08/20/614610820.db2.gz NWUULEPOTSLBBT-SNVBAGLBSA-N 1 2 296.371 -1.079 20 0 CAADLO CC1(C)C[N@@H+](CC(=O)N2CCCC2)C[C@H]1NC(=O)C(N)=O ZINC000974984875 614610823 /nfs/dbraw/zinc/61/08/23/614610823.db2.gz NWUULEPOTSLBBT-SNVBAGLBSA-N 1 2 296.371 -1.079 20 0 CAADLO CC1(C)C[N@H+](CC(=O)NC2CC2)C[C@H]1NC(=O)C(N)=O ZINC000974987039 614611189 /nfs/dbraw/zinc/61/11/89/614611189.db2.gz RLWCMWMJUVNYOK-SECBINFHSA-N 1 2 282.344 -1.423 20 0 CAADLO CC1(C)C[N@@H+](CC(=O)NC2CC2)C[C@H]1NC(=O)C(N)=O ZINC000974987039 614611190 /nfs/dbraw/zinc/61/11/90/614611190.db2.gz RLWCMWMJUVNYOK-SECBINFHSA-N 1 2 282.344 -1.423 20 0 CAADLO CC1(C)C[N@H+](CC(N)=O)C[C@@H]1NC(=O)[C@H]1CCC(=O)NC1 ZINC000974767230 614614765 /nfs/dbraw/zinc/61/47/65/614614765.db2.gz OCQSKQQLHVFAAV-UWVGGRQHSA-N 1 2 296.371 -1.176 20 0 CAADLO CC1(C)C[N@@H+](CC(N)=O)C[C@@H]1NC(=O)[C@H]1CCC(=O)NC1 ZINC000974767230 614614767 /nfs/dbraw/zinc/61/47/67/614614767.db2.gz OCQSKQQLHVFAAV-UWVGGRQHSA-N 1 2 296.371 -1.176 20 0 CAADLO CC1(C)C[N@H+](CC(N)=O)C[C@@H]1NC(=O)[C@@H]1CCC(=O)NC1 ZINC000974767244 614614826 /nfs/dbraw/zinc/61/48/26/614614826.db2.gz OCQSKQQLHVFAAV-ZJUUUORDSA-N 1 2 296.371 -1.176 20 0 CAADLO CC1(C)C[N@@H+](CC(N)=O)C[C@@H]1NC(=O)[C@@H]1CCC(=O)NC1 ZINC000974767244 614614829 /nfs/dbraw/zinc/61/48/29/614614829.db2.gz OCQSKQQLHVFAAV-ZJUUUORDSA-N 1 2 296.371 -1.176 20 0 CAADLO CC1(C)C[N@H+](CC(N)=O)C[C@@H]1NC(=O)C[C@H]1CCNC1=O ZINC000974668427 614614931 /nfs/dbraw/zinc/61/49/31/614614931.db2.gz ZEBMROTVGJHEMP-ZJUUUORDSA-N 1 2 296.371 -1.176 20 0 CAADLO CC1(C)C[N@@H+](CC(N)=O)C[C@@H]1NC(=O)C[C@H]1CCNC1=O ZINC000974668427 614614934 /nfs/dbraw/zinc/61/49/34/614614934.db2.gz ZEBMROTVGJHEMP-ZJUUUORDSA-N 1 2 296.371 -1.176 20 0 CAADLO CC1(C)C[N@H+](CC(N)=O)C[C@@H]1NC(=O)[C@]1(C)CCC(=O)N1 ZINC000975005757 614615518 /nfs/dbraw/zinc/61/55/18/614615518.db2.gz WRLFPBVHFDKQEY-XPTSAGLGSA-N 1 2 296.371 -1.033 20 0 CAADLO CC1(C)C[N@@H+](CC(N)=O)C[C@@H]1NC(=O)[C@]1(C)CCC(=O)N1 ZINC000975005757 614615520 /nfs/dbraw/zinc/61/55/20/614615520.db2.gz WRLFPBVHFDKQEY-XPTSAGLGSA-N 1 2 296.371 -1.033 20 0 CAADLO CC1(C)C[N@H+](CC(N)=O)C[C@@H]1NC(=O)c1c[nH]c(=O)cn1 ZINC000974969871 614615955 /nfs/dbraw/zinc/61/59/55/614615955.db2.gz DRKSZTFQUIZWQO-VIFPVBQESA-N 1 2 293.327 -1.305 20 0 CAADLO CC1(C)C[N@@H+](CC(N)=O)C[C@@H]1NC(=O)c1c[nH]c(=O)cn1 ZINC000974969871 614615957 /nfs/dbraw/zinc/61/59/57/614615957.db2.gz DRKSZTFQUIZWQO-VIFPVBQESA-N 1 2 293.327 -1.305 20 0 CAADLO CC1(C)C[N@H+](CC(N)=O)C[C@@H]1NC(=O)c1nccnc1N ZINC000972970435 614616073 /nfs/dbraw/zinc/61/60/73/614616073.db2.gz LZKJQFCLTFVKAT-QMMMGPOBSA-N 1 2 292.343 -1.016 20 0 CAADLO CC1(C)C[N@@H+](CC(N)=O)C[C@@H]1NC(=O)c1nccnc1N ZINC000972970435 614616075 /nfs/dbraw/zinc/61/60/75/614616075.db2.gz LZKJQFCLTFVKAT-QMMMGPOBSA-N 1 2 292.343 -1.016 20 0 CAADLO CC1(C)C[N@H+](CC(N)=O)C[C@@H]1NC(=O)[C@]1(C)CCNC1=O ZINC000975039549 614616164 /nfs/dbraw/zinc/61/61/64/614616164.db2.gz MYFKMBJKTKGOEO-LKFCYVNXSA-N 1 2 296.371 -1.176 20 0 CAADLO CC1(C)C[N@@H+](CC(N)=O)C[C@@H]1NC(=O)[C@]1(C)CCNC1=O ZINC000975039549 614616167 /nfs/dbraw/zinc/61/61/67/614616167.db2.gz MYFKMBJKTKGOEO-LKFCYVNXSA-N 1 2 296.371 -1.176 20 0 CAADLO CC1(C)C[N@H+](CC(N)=O)C[C@H]1NC(=O)[C@@H]1CCC(=O)NC1 ZINC000974767224 614616466 /nfs/dbraw/zinc/61/64/66/614616466.db2.gz OCQSKQQLHVFAAV-NXEZZACHSA-N 1 2 296.371 -1.176 20 0 CAADLO CC1(C)C[N@@H+](CC(N)=O)C[C@H]1NC(=O)[C@@H]1CCC(=O)NC1 ZINC000974767224 614616468 /nfs/dbraw/zinc/61/64/68/614616468.db2.gz OCQSKQQLHVFAAV-NXEZZACHSA-N 1 2 296.371 -1.176 20 0 CAADLO CC1(C)C[N@H+](CC(N)=O)C[C@H]1NC(=O)C[C@H]1CCNC1=O ZINC000974668424 614616592 /nfs/dbraw/zinc/61/65/92/614616592.db2.gz ZEBMROTVGJHEMP-NXEZZACHSA-N 1 2 296.371 -1.176 20 0 CAADLO CC1(C)C[N@@H+](CC(N)=O)C[C@H]1NC(=O)C[C@H]1CCNC1=O ZINC000974668424 614616594 /nfs/dbraw/zinc/61/65/94/614616594.db2.gz ZEBMROTVGJHEMP-NXEZZACHSA-N 1 2 296.371 -1.176 20 0 CAADLO CC1(C)C[N@H+](CC(N)=O)C[C@H]1NC(=O)Cn1cnnn1 ZINC000972795331 614616831 /nfs/dbraw/zinc/61/68/31/614616831.db2.gz ZYCJGVVMDIJTJG-MRVPVSSYSA-N 1 2 281.320 -2.015 20 0 CAADLO CC1(C)C[N@@H+](CC(N)=O)C[C@H]1NC(=O)Cn1cnnn1 ZINC000972795331 614616834 /nfs/dbraw/zinc/61/68/34/614616834.db2.gz ZYCJGVVMDIJTJG-MRVPVSSYSA-N 1 2 281.320 -2.015 20 0 CAADLO CC1(C)C[N@H+](CC(N)=O)C[C@H]1NC(=O)Cn1cncn1 ZINC000977572933 614617201 /nfs/dbraw/zinc/61/72/01/614617201.db2.gz ZNGORNHETNABSK-SECBINFHSA-N 1 2 280.332 -1.410 20 0 CAADLO CC1(C)C[N@@H+](CC(N)=O)C[C@H]1NC(=O)Cn1cncn1 ZINC000977572933 614617202 /nfs/dbraw/zinc/61/72/02/614617202.db2.gz ZNGORNHETNABSK-SECBINFHSA-N 1 2 280.332 -1.410 20 0 CAADLO CC1(C)C[N@H+](CC(N)=O)C[C@H]1NC(=O)[C@H]1CNC(=O)N1 ZINC000974993807 614617680 /nfs/dbraw/zinc/61/76/80/614617680.db2.gz JCAVZXBNLFZSNF-HTQZYQBOSA-N 1 2 283.332 -2.020 20 0 CAADLO CC1(C)C[N@@H+](CC(N)=O)C[C@H]1NC(=O)[C@H]1CNC(=O)N1 ZINC000974993807 614617684 /nfs/dbraw/zinc/61/76/84/614617684.db2.gz JCAVZXBNLFZSNF-HTQZYQBOSA-N 1 2 283.332 -2.020 20 0 CAADLO CC1(C)C[N@H+](CC(N)=O)C[C@H]1NC(=O)[C@H]1CCCNC1=O ZINC000974718554 614617915 /nfs/dbraw/zinc/61/79/15/614617915.db2.gz VOVVDKWWDKUHOJ-VHSXEESVSA-N 1 2 296.371 -1.176 20 0 CAADLO CC1(C)C[N@@H+](CC(N)=O)C[C@H]1NC(=O)[C@H]1CCCNC1=O ZINC000974718554 614617916 /nfs/dbraw/zinc/61/79/16/614617916.db2.gz VOVVDKWWDKUHOJ-VHSXEESVSA-N 1 2 296.371 -1.176 20 0 CAADLO CC1(C)C[N@H+](CC(N)=O)C[C@H]1NC(=O)[C@H]1CCNC1=O ZINC000974913459 614617949 /nfs/dbraw/zinc/61/79/49/614617949.db2.gz NACXGEFWOGEFRO-DTWKUNHWSA-N 1 2 282.344 -1.566 20 0 CAADLO CC1(C)C[N@@H+](CC(N)=O)C[C@H]1NC(=O)[C@H]1CCNC1=O ZINC000974913459 614617951 /nfs/dbraw/zinc/61/79/51/614617951.db2.gz NACXGEFWOGEFRO-DTWKUNHWSA-N 1 2 282.344 -1.566 20 0 CAADLO CC1(C)C[N@H+](CC(N)=O)C[C@H]1NC(=O)[C@]1(C)CCNC1=O ZINC000975039562 614617970 /nfs/dbraw/zinc/61/79/70/614617970.db2.gz MYFKMBJKTKGOEO-YMTOWFKASA-N 1 2 296.371 -1.176 20 0 CAADLO CC1(C)C[N@@H+](CC(N)=O)C[C@H]1NC(=O)[C@]1(C)CCNC1=O ZINC000975039562 614617971 /nfs/dbraw/zinc/61/79/71/614617971.db2.gz MYFKMBJKTKGOEO-YMTOWFKASA-N 1 2 296.371 -1.176 20 0 CAADLO CC1(C)C[N@H+](CC(N)=O)C[C@H]1NC(=O)c1c[nH]c(=O)cn1 ZINC000974969868 614618056 /nfs/dbraw/zinc/61/80/56/614618056.db2.gz DRKSZTFQUIZWQO-SECBINFHSA-N 1 2 293.327 -1.305 20 0 CAADLO CC1(C)C[N@@H+](CC(N)=O)C[C@H]1NC(=O)c1c[nH]c(=O)cn1 ZINC000974969868 614618058 /nfs/dbraw/zinc/61/80/58/614618058.db2.gz DRKSZTFQUIZWQO-SECBINFHSA-N 1 2 293.327 -1.305 20 0 CAADLO CCN(C(=O)[C@@H]1CN(C)C(=O)N1)C1C[NH+](CCO)C1 ZINC000951129811 614635682 /nfs/dbraw/zinc/63/56/82/614635682.db2.gz AQAGJNDNXOMYLU-JTQLQIEISA-N 1 2 270.333 -1.465 20 0 CAADLO CCN(C(=O)[C@@H]1COC(=O)N1)C1C[NH+](CCO)C1 ZINC000950005204 614637564 /nfs/dbraw/zinc/63/75/64/614637564.db2.gz KJCQRMFTFFAIMC-VIFPVBQESA-N 1 2 257.290 -1.380 20 0 CAADLO CCN(C(=O)[C@@H]1COCCN1C)C1C[NH+](CCO)C1 ZINC000949927380 614638519 /nfs/dbraw/zinc/63/85/19/614638519.db2.gz YVEDTOFEOVQIRJ-LBPRGKRZSA-N 1 2 271.361 -1.158 20 0 CAADLO CCN(C(=O)[C@H]1CCNC1=O)C1C[NH+](CCO)C1 ZINC000951137091 614678060 /nfs/dbraw/zinc/67/80/60/614678060.db2.gz CMFAGISWNSMERU-JTQLQIEISA-N 1 2 255.318 -1.353 20 0 CAADLO CC1(C)C[N@@H+]([C@@H]2CCNC2=O)C[C@H]1NC(=O)C(N)=O ZINC000974999813 614682258 /nfs/dbraw/zinc/68/22/58/614682258.db2.gz VTDGOVBUCBFPQO-HTQZYQBOSA-N 1 2 268.317 -1.813 20 0 CAADLO CC1(C)C[N@H+]([C@@H]2CCNC2=O)C[C@H]1NC(=O)C(N)=O ZINC000974999813 614682261 /nfs/dbraw/zinc/68/22/61/614682261.db2.gz VTDGOVBUCBFPQO-HTQZYQBOSA-N 1 2 268.317 -1.813 20 0 CAADLO CC1(C)C[N@@H+]([C@H]2CCC(=O)NC2=O)C[C@@H]1NC(=O)C(N)=O ZINC000974998483 614682679 /nfs/dbraw/zinc/68/26/79/614682679.db2.gz SHBAOORYAUATJC-YUMQZZPRSA-N 1 2 296.327 -1.897 20 0 CAADLO CC1(C)C[N@H+]([C@H]2CCC(=O)NC2=O)C[C@@H]1NC(=O)C(N)=O ZINC000974998483 614682682 /nfs/dbraw/zinc/68/26/82/614682682.db2.gz SHBAOORYAUATJC-YUMQZZPRSA-N 1 2 296.327 -1.897 20 0 CAADLO CC1(C)C[N@@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1NC(=O)C(N)=O ZINC000974998480 614682999 /nfs/dbraw/zinc/68/29/99/614682999.db2.gz SHBAOORYAUATJC-JGVFFNPUSA-N 1 2 296.327 -1.897 20 0 CAADLO CC1(C)C[N@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1NC(=O)C(N)=O ZINC000974998480 614683002 /nfs/dbraw/zinc/68/30/02/614683002.db2.gz SHBAOORYAUATJC-JGVFFNPUSA-N 1 2 296.327 -1.897 20 0 CAADLO CCN(C(=O)[C@H]1CN(C)C(=O)N1)C1C[NH+](CCO)C1 ZINC000951129812 614684293 /nfs/dbraw/zinc/68/42/93/614684293.db2.gz AQAGJNDNXOMYLU-SNVBAGLBSA-N 1 2 270.333 -1.465 20 0 CAADLO CCN(C(=O)[C@H]1C[N@H+](C)CCO1)C1CN(CCO)C1 ZINC000949830566 614684455 /nfs/dbraw/zinc/68/44/55/614684455.db2.gz RDTPJRJFGPTKPB-GFCCVEGCSA-N 1 2 271.361 -1.158 20 0 CAADLO CCN(C(=O)[C@H]1C[N@@H+](C)CCO1)C1CN(CCO)C1 ZINC000949830566 614684457 /nfs/dbraw/zinc/68/44/57/614684457.db2.gz RDTPJRJFGPTKPB-GFCCVEGCSA-N 1 2 271.361 -1.158 20 0 CAADLO CCN(C(=O)[C@H]1COCCN1C)C1C[NH+](CCO)C1 ZINC000949927379 614686445 /nfs/dbraw/zinc/68/64/45/614686445.db2.gz YVEDTOFEOVQIRJ-GFCCVEGCSA-N 1 2 271.361 -1.158 20 0 CAADLO CCN(C(=O)[C@H]1COCCO1)C1C[NH+](CCO)C1 ZINC000949706767 614686981 /nfs/dbraw/zinc/68/69/81/614686981.db2.gz RQQHXOSZPWRTSM-LLVKDONJSA-N 1 2 258.318 -1.073 20 0 CAADLO CCN(C(=O)c1cc(=O)n(C)cn1)C1C[NH+](CCO)C1 ZINC000950540056 614707778 /nfs/dbraw/zinc/70/77/78/614707778.db2.gz HRZCZINHXLSNCZ-UHFFFAOYSA-N 1 2 280.328 -1.081 20 0 CAADLO CCN(C(=O)c1ccc(=O)n(C)n1)C1C[NH+](CCO)C1 ZINC000957362137 614724585 /nfs/dbraw/zinc/72/45/85/614724585.db2.gz IWGBVQXIYRPNBN-UHFFFAOYSA-N 1 2 280.328 -1.081 20 0 CAADLO CCN(C(=O)c1nnn(C)n1)C1C[NH+](C[C@H](C)O)C1 ZINC000951186330 614800064 /nfs/dbraw/zinc/80/00/64/614800064.db2.gz DALSQPVBONJEEW-QMMMGPOBSA-N 1 2 268.321 -1.263 20 0 CAADLO CCN1CCOC[C@@H]1C(=O)N[C@H](C)C1C[NH+](CC(N)=O)C1 ZINC000970000973 615166000 /nfs/dbraw/zinc/16/60/00/615166000.db2.gz OPWUWOAIVZUCRI-ZYHUDNBSSA-N 1 2 298.387 -1.371 20 0 CAADLO CCN1CC[C@@H]([N@@H+]2CCCN(C(=O)C(N)=O)CC2)C1=O ZINC000981861972 615207317 /nfs/dbraw/zinc/20/73/17/615207317.db2.gz ORZCLVFBLKYQPW-SNVBAGLBSA-N 1 2 282.344 -1.373 20 0 CAADLO CCN1CC[C@@H]([N@H+]2CCCN(C(=O)C(N)=O)CC2)C1=O ZINC000981861972 615207319 /nfs/dbraw/zinc/20/73/19/615207319.db2.gz ORZCLVFBLKYQPW-SNVBAGLBSA-N 1 2 282.344 -1.373 20 0 CAADLO CCN1CC[C@H]([N@@H+]2CCCN(C(=O)C(N)=O)CC2)C1=O ZINC000981861971 615275357 /nfs/dbraw/zinc/27/53/57/615275357.db2.gz ORZCLVFBLKYQPW-JTQLQIEISA-N 1 2 282.344 -1.373 20 0 CAADLO CCN1CC[C@H]([N@H+]2CCCN(C(=O)C(N)=O)CC2)C1=O ZINC000981861971 615275358 /nfs/dbraw/zinc/27/53/58/615275358.db2.gz ORZCLVFBLKYQPW-JTQLQIEISA-N 1 2 282.344 -1.373 20 0 CAADLO CC[C@@H](C(N)=O)[N@@H+]1CCCN(C(=O)C(N)=O)CC1 ZINC000981861668 615399246 /nfs/dbraw/zinc/39/92/46/615399246.db2.gz AZJUFJRQGPYXKQ-QMMMGPOBSA-N 1 2 256.306 -1.730 20 0 CAADLO CC[C@@H](C(N)=O)[N@H+]1CCCN(C(=O)C(N)=O)CC1 ZINC000981861668 615399249 /nfs/dbraw/zinc/39/92/49/615399249.db2.gz AZJUFJRQGPYXKQ-QMMMGPOBSA-N 1 2 256.306 -1.730 20 0 CAADLO CC[C@@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1nnc[nH]1 ZINC000962262133 615403353 /nfs/dbraw/zinc/40/33/53/615403353.db2.gz MBVQDPJACFMTFP-KIKITERTSA-N 1 2 292.343 -1.343 20 0 CAADLO CC[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1nnc[nH]1 ZINC000962262133 615403357 /nfs/dbraw/zinc/40/33/57/615403357.db2.gz MBVQDPJACFMTFP-KIKITERTSA-N 1 2 292.343 -1.343 20 0 CAADLO CCn1ccnc1C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(N)=O ZINC000961639700 615614098 /nfs/dbraw/zinc/61/40/98/615614098.db2.gz OGYIYMJCXOFQGF-JZYVYDRUSA-N 1 2 277.328 -1.065 20 0 CAADLO CCn1ccnc1C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(N)=O ZINC000961639700 615614101 /nfs/dbraw/zinc/61/41/01/615614101.db2.gz OGYIYMJCXOFQGF-JZYVYDRUSA-N 1 2 277.328 -1.065 20 0 CAADLO CC[C@H](C(N)=O)[N@@H+]1CCCN(C(=O)C(N)=O)CC1 ZINC000981861667 615618098 /nfs/dbraw/zinc/61/80/98/615618098.db2.gz AZJUFJRQGPYXKQ-MRVPVSSYSA-N 1 2 256.306 -1.730 20 0 CAADLO CC[C@H](C(N)=O)[N@H+]1CCCN(C(=O)C(N)=O)CC1 ZINC000981861667 615618099 /nfs/dbraw/zinc/61/80/99/615618099.db2.gz AZJUFJRQGPYXKQ-MRVPVSSYSA-N 1 2 256.306 -1.730 20 0 CAADLO CCn1nc(C)c(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C(N)=O)n1 ZINC000961651489 615654997 /nfs/dbraw/zinc/65/49/97/615654997.db2.gz VXWMQYCJNYTKGL-JZYVYDRUSA-N 1 2 292.343 -1.362 20 0 CAADLO CCn1nc(C)c(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C(N)=O)n1 ZINC000961651489 615654998 /nfs/dbraw/zinc/65/49/98/615654998.db2.gz VXWMQYCJNYTKGL-JZYVYDRUSA-N 1 2 292.343 -1.362 20 0 CAADLO CCn1ncc(C(=O)N[C@@H](C)C2C[NH+](CC(N)=O)C2)n1 ZINC000969623229 615687705 /nfs/dbraw/zinc/68/77/05/615687705.db2.gz GCADZDRGEMAWCV-QMMMGPOBSA-N 1 2 280.332 -1.167 20 0 CAADLO CCn1nncc1C[N@H+](C)[C@@H]1CCN(C(=O)C(N)=O)C1 ZINC000972212228 615752439 /nfs/dbraw/zinc/75/24/39/615752439.db2.gz LHVFFKZOTVVMPL-SECBINFHSA-N 1 2 280.332 -1.184 20 0 CAADLO CCn1nncc1C[N@@H+](C)[C@@H]1CCN(C(=O)C(N)=O)C1 ZINC000972212228 615752441 /nfs/dbraw/zinc/75/24/41/615752441.db2.gz LHVFFKZOTVVMPL-SECBINFHSA-N 1 2 280.332 -1.184 20 0 CAADLO CCc1nnc([C@@H](C)[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C(N)=O)[nH]1 ZINC000961648793 615752675 /nfs/dbraw/zinc/75/26/75/615752675.db2.gz NCQDWIMZDZETAY-ODXREFDESA-N 1 2 292.343 -1.040 20 0 CAADLO CCc1nnc([C@@H](C)[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C(N)=O)[nH]1 ZINC000961648793 615752678 /nfs/dbraw/zinc/75/26/78/615752678.db2.gz NCQDWIMZDZETAY-ODXREFDESA-N 1 2 292.343 -1.040 20 0 CAADLO CCn1nncc1C[N@H+](C)[C@H]1CCN(C(=O)C(N)=O)C1 ZINC000972212229 615752745 /nfs/dbraw/zinc/75/27/45/615752745.db2.gz LHVFFKZOTVVMPL-VIFPVBQESA-N 1 2 280.332 -1.184 20 0 CAADLO CCn1nncc1C[N@@H+](C)[C@H]1CCN(C(=O)C(N)=O)C1 ZINC000972212229 615752746 /nfs/dbraw/zinc/75/27/46/615752746.db2.gz LHVFFKZOTVVMPL-VIFPVBQESA-N 1 2 280.332 -1.184 20 0 CAADLO CN(C(=O)C(N)=O)C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000954355634 615773696 /nfs/dbraw/zinc/77/36/96/615773696.db2.gz SBZJDVQCLBRUJD-UHFFFAOYSA-N 1 2 293.327 -1.113 20 0 CAADLO CN(C(=O)C(N)=O)C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000954258481 615773819 /nfs/dbraw/zinc/77/38/19/615773819.db2.gz BIZRTVHKLBPDIR-UHFFFAOYSA-N 1 2 293.327 -1.113 20 0 CAADLO CN(C(=O)C(N)=O)C1CN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC000955163910 615774436 /nfs/dbraw/zinc/77/44/36/615774436.db2.gz RGCGSKVQHYQPHQ-UHFFFAOYSA-N 1 2 279.300 -1.503 20 0 CAADLO CN(C(=O)C(N)=O)C1CN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC000955163910 615774438 /nfs/dbraw/zinc/77/44/38/615774438.db2.gz RGCGSKVQHYQPHQ-UHFFFAOYSA-N 1 2 279.300 -1.503 20 0 CAADLO CN(C(=O)C(N)=O)C1CN(C(=O)CCn2cc[nH+]c2)C1 ZINC000955163899 615774740 /nfs/dbraw/zinc/77/47/40/615774740.db2.gz QUWLVKDEVGDIMO-UHFFFAOYSA-N 1 2 279.300 -1.572 20 0 CAADLO CN(C(=O)C(N)=O)[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000938780113 615777319 /nfs/dbraw/zinc/77/73/19/615777319.db2.gz PAIXAOCOHMVDCY-SECBINFHSA-N 1 2 279.300 -1.572 20 0 CAADLO CN(C(=O)C(N)=O)[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000939910430 615777349 /nfs/dbraw/zinc/77/73/49/615777349.db2.gz MZKULSKGRBGURO-SECBINFHSA-N 1 2 279.300 -1.503 20 0 CAADLO CN(C(=O)C(N)=O)[C@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC000938906576 615779960 /nfs/dbraw/zinc/77/99/60/615779960.db2.gz WXLYOIPBFLGAAS-VIFPVBQESA-N 1 2 293.327 -1.493 20 0 CAADLO CN(C(=O)C(N)=O)[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000939910436 615780043 /nfs/dbraw/zinc/78/00/43/615780043.db2.gz MZKULSKGRBGURO-VIFPVBQESA-N 1 2 279.300 -1.503 20 0 CAADLO CN(C(=O)C(N)=O)[C@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1O ZINC000958943348 615780823 /nfs/dbraw/zinc/78/08/23/615780823.db2.gz OUOLEABAAOZEBZ-IUCAKERBSA-N 1 2 295.299 -2.602 20 0 CAADLO CCc1nnc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C(N)=O)o1 ZINC000961634083 615811216 /nfs/dbraw/zinc/81/12/16/615811216.db2.gz BPNSBYJRYKMWRU-MTBHXBHISA-N 1 2 279.300 -1.336 20 0 CAADLO CCc1nnc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C(N)=O)o1 ZINC000961634083 615811217 /nfs/dbraw/zinc/81/12/17/615811217.db2.gz BPNSBYJRYKMWRU-MTBHXBHISA-N 1 2 279.300 -1.336 20 0 CAADLO CN(C(=O)C[N@@H+]1C[C@@H](NC(=O)C(N)=O)C(C)(C)C1)C1CC1 ZINC000974984759 615815874 /nfs/dbraw/zinc/81/58/74/615815874.db2.gz NHSGDZKNMGCUHL-SNVBAGLBSA-N 1 2 296.371 -1.081 20 0 CAADLO CN(C(=O)C[N@H+]1C[C@@H](NC(=O)C(N)=O)C(C)(C)C1)C1CC1 ZINC000974984759 615815876 /nfs/dbraw/zinc/81/58/76/615815876.db2.gz NHSGDZKNMGCUHL-SNVBAGLBSA-N 1 2 296.371 -1.081 20 0 CAADLO CN(C(=O)C[N@@H+]1C[C@H](NC(=O)C(N)=O)C(C)(C)C1)C1CC1 ZINC000974984742 615815947 /nfs/dbraw/zinc/81/59/47/615815947.db2.gz NHSGDZKNMGCUHL-JTQLQIEISA-N 1 2 296.371 -1.081 20 0 CAADLO CN(C(=O)C[N@H+]1C[C@H](NC(=O)C(N)=O)C(C)(C)C1)C1CC1 ZINC000974984742 615815949 /nfs/dbraw/zinc/81/59/49/615815949.db2.gz NHSGDZKNMGCUHL-JTQLQIEISA-N 1 2 296.371 -1.081 20 0 CAADLO CN(C(=O)Cc1c[nH+]c[nH]1)[C@@H]1CCN(C(=O)CC(N)=O)C1 ZINC000936964737 615827001 /nfs/dbraw/zinc/82/70/01/615827001.db2.gz BKATZGKFXHHJKR-SNVBAGLBSA-N 1 2 293.327 -1.113 20 0 CAADLO CN(C(=O)Cc1c[nH+]c[nH]1)[C@@H]1CCN(C(=O)C(N)=O)C1 ZINC000939382662 615827022 /nfs/dbraw/zinc/82/70/22/615827022.db2.gz XWZURMAATQHCCO-SECBINFHSA-N 1 2 279.300 -1.503 20 0 CAADLO CN(C(=O)Cc1c[nH+]c[nH]1)[C@H]1CCCN(C(=O)C(N)=O)C1 ZINC000984578690 615827340 /nfs/dbraw/zinc/82/73/40/615827340.db2.gz QYVVQNSFPUVOCA-JTQLQIEISA-N 1 2 293.327 -1.113 20 0 CAADLO CN(C(=O)Cc1c[nH+]c[nH]1)C1CCN(C(=O)C(N)=O)CC1 ZINC000954997131 615827354 /nfs/dbraw/zinc/82/73/54/615827354.db2.gz KVDDCOVBOKAVAK-UHFFFAOYSA-N 1 2 293.327 -1.113 20 0 CAADLO CN(C(=O)Cc1c[nH+]c[nH]1)[C@H]1CCN(C(=O)C(N)=O)C1 ZINC000939382663 615827789 /nfs/dbraw/zinc/82/77/89/615827789.db2.gz XWZURMAATQHCCO-VIFPVBQESA-N 1 2 279.300 -1.503 20 0 CAADLO CN(C(=O)Cc1[nH]cc[nH+]1)C1CN(C(=O)C(N)=O)C1 ZINC000955110498 615828961 /nfs/dbraw/zinc/82/89/61/615828961.db2.gz ICKJUJKEJVDZDS-UHFFFAOYSA-N 1 2 265.273 -1.893 20 0 CAADLO CN(C(=O)Cc1[nH]cc[nH+]1)[C@@H]1CCN(C(=O)CC(N)=O)C1 ZINC000936957423 615829502 /nfs/dbraw/zinc/82/95/02/615829502.db2.gz ZYYMKUJLWZBRIT-SECBINFHSA-N 1 2 293.327 -1.113 20 0 CAADLO CN(C(=O)Cc1[nH]cc[nH+]1)[C@H]1CN(C(=O)C(N)=O)C[C@@H]1O ZINC000958937613 615829673 /nfs/dbraw/zinc/82/96/73/615829673.db2.gz AFGDZKSNCCKVGC-YUMQZZPRSA-N 1 2 295.299 -2.532 20 0 CAADLO CN(C(=O)Cc1[nH]cc[nH+]1)[C@H]1CCCN(C(=O)C(N)=O)C1 ZINC000984572045 615829676 /nfs/dbraw/zinc/82/96/76/615829676.db2.gz LBUYXPSMPRMZQY-VIFPVBQESA-N 1 2 293.327 -1.113 20 0 CAADLO CN(C(=O)Cn1cc[nH+]c1)C1CN(C(=O)c2nc[nH]n2)C1 ZINC000954660296 615830419 /nfs/dbraw/zinc/83/04/19/615830419.db2.gz WHBPEZDBOYMYKK-UHFFFAOYSA-N 1 2 289.299 -1.016 20 0 CAADLO CN(C(=O)Cn1cc[nH+]c1)C1CCN(C(=O)C(N)=O)CC1 ZINC000954055541 615830421 /nfs/dbraw/zinc/83/04/21/615830421.db2.gz GDVYNYTZYFBMRM-UHFFFAOYSA-N 1 2 293.327 -1.182 20 0 CAADLO CN(C(=O)Cn1cc[nH+]c1)[C@H]1CCCN(C(=O)C(N)=O)C1 ZINC000984576050 615830876 /nfs/dbraw/zinc/83/08/76/615830876.db2.gz FRIIKWNHPWMJHP-JTQLQIEISA-N 1 2 293.327 -1.182 20 0 CAADLO CN(C(=O)c1cn[nH]n1)C1CN(C(=O)Cn2cc[nH+]c2)C1 ZINC000954730565 615930651 /nfs/dbraw/zinc/93/06/51/615930651.db2.gz SYXQQDATHOPJQK-UHFFFAOYSA-N 1 2 289.299 -1.016 20 0 CAADLO CN(C)C(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2CCNC2=O)CC1 ZINC000981749888 615961797 /nfs/dbraw/zinc/96/17/97/615961797.db2.gz LSGAWAZJMITCHF-LLVKDONJSA-N 1 2 296.371 -1.255 20 0 CAADLO CN(C)C(=O)C[N@H+]1CCCN(C(=O)[C@@H]2CCNC2=O)CC1 ZINC000981749888 615961798 /nfs/dbraw/zinc/96/17/98/615961798.db2.gz LSGAWAZJMITCHF-LLVKDONJSA-N 1 2 296.371 -1.255 20 0 CAADLO CCn1cc(CC(=O)N2CCC[N@H+](CC(N)=O)CC2)nn1 ZINC000981666222 615964879 /nfs/dbraw/zinc/96/48/79/615964879.db2.gz YEEBBKWLJGYHNF-UHFFFAOYSA-N 1 2 294.359 -1.140 20 0 CAADLO CCn1cc(CC(=O)N2CCC[N@@H+](CC(N)=O)CC2)nn1 ZINC000981666222 615964881 /nfs/dbraw/zinc/96/48/81/615964881.db2.gz YEEBBKWLJGYHNF-UHFFFAOYSA-N 1 2 294.359 -1.140 20 0 CAADLO C[N@H+](CC(N)=O)[C@H]1CCN(C(=O)Cc2ccn[nH]2)C1 ZINC000971246435 616055595 /nfs/dbraw/zinc/05/55/95/616055595.db2.gz OCFGIFDMGKLGDA-JTQLQIEISA-N 1 2 265.317 -1.030 20 0 CAADLO C[N@@H+](CC(N)=O)[C@H]1CCN(C(=O)Cc2ccn[nH]2)C1 ZINC000971246435 616055596 /nfs/dbraw/zinc/05/55/96/616055596.db2.gz OCFGIFDMGKLGDA-JTQLQIEISA-N 1 2 265.317 -1.030 20 0 CAADLO Cn1ccc(C[N@H+](C)[C@H]2CCN(C(=O)C(N)=O)C2)n1 ZINC000972214309 616083929 /nfs/dbraw/zinc/08/39/29/616083929.db2.gz XEUDOXLSPIELBO-JTQLQIEISA-N 1 2 265.317 -1.062 20 0 CAADLO Cn1ccc(C[N@@H+](C)[C@H]2CCN(C(=O)C(N)=O)C2)n1 ZINC000972214309 616083931 /nfs/dbraw/zinc/08/39/31/616083931.db2.gz XEUDOXLSPIELBO-JTQLQIEISA-N 1 2 265.317 -1.062 20 0 CAADLO Cn1ccc(C[N@H+](C)[C@@H]2CCN(C(=O)C(N)=O)C2)n1 ZINC000972214312 616084120 /nfs/dbraw/zinc/08/41/20/616084120.db2.gz XEUDOXLSPIELBO-SNVBAGLBSA-N 1 2 265.317 -1.062 20 0 CAADLO Cn1ccc(C[N@@H+](C)[C@@H]2CCN(C(=O)C(N)=O)C2)n1 ZINC000972214312 616084122 /nfs/dbraw/zinc/08/41/22/616084122.db2.gz XEUDOXLSPIELBO-SNVBAGLBSA-N 1 2 265.317 -1.062 20 0 CAADLO Cn1nncc1C[N@H+](C)[C@@H]1CCN(C(=O)CC(N)=O)C1 ZINC000971240174 616098017 /nfs/dbraw/zinc/09/80/17/616098017.db2.gz XMAUBUNHDYMLOS-SECBINFHSA-N 1 2 280.332 -1.277 20 0 CAADLO Cn1nncc1C[N@@H+](C)[C@@H]1CCN(C(=O)CC(N)=O)C1 ZINC000971240174 616098019 /nfs/dbraw/zinc/09/80/19/616098019.db2.gz XMAUBUNHDYMLOS-SECBINFHSA-N 1 2 280.332 -1.277 20 0 CAADLO Cn1[nH]c(C[N@H+](C)[C@H]2CCN(C(=O)CC(N)=O)C2)nc1=O ZINC000971239604 616101643 /nfs/dbraw/zinc/10/16/43/616101643.db2.gz QLDIOGDCKKGELH-QMMMGPOBSA-N 1 2 296.331 -1.984 20 0 CAADLO Cn1[nH]c(C[N@@H+](C)[C@H]2CCN(C(=O)CC(N)=O)C2)nc1=O ZINC000971239604 616101645 /nfs/dbraw/zinc/10/16/45/616101645.db2.gz QLDIOGDCKKGELH-QMMMGPOBSA-N 1 2 296.331 -1.984 20 0 CAADLO Cn1[nH]c(C[N@H+](C)C[C@@H]2CCCN2C(=O)C(N)=O)nc1=O ZINC000960830122 616101720 /nfs/dbraw/zinc/10/17/20/616101720.db2.gz LAITXKRXYPUOKB-QMMMGPOBSA-N 1 2 296.331 -1.984 20 0 CAADLO Cn1[nH]c(C[N@@H+](C)C[C@@H]2CCCN2C(=O)C(N)=O)nc1=O ZINC000960830122 616101722 /nfs/dbraw/zinc/10/17/22/616101722.db2.gz LAITXKRXYPUOKB-QMMMGPOBSA-N 1 2 296.331 -1.984 20 0 CAADLO CN1CCOC[C@@H]1C(=O)N[C@@H]1C[N@H+](CC(N)=O)CC1(C)C ZINC000974484713 616248254 /nfs/dbraw/zinc/24/82/54/616248254.db2.gz MMKMOZIJVPXOIN-GHMZBOCLSA-N 1 2 298.387 -1.371 20 0 CAADLO CN1CCOC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CC(N)=O)CC1(C)C ZINC000974484713 616248255 /nfs/dbraw/zinc/24/82/55/616248255.db2.gz MMKMOZIJVPXOIN-GHMZBOCLSA-N 1 2 298.387 -1.371 20 0 CAADLO C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CN(CC(N)=O)CC2(C)C)C1 ZINC000972992540 616253271 /nfs/dbraw/zinc/25/32/71/616253271.db2.gz SQNSWMIXYCILPW-MNOVXSKESA-N 1 2 298.387 -1.371 20 0 CAADLO C[N@H+]1CCO[C@@H](C(=O)N[C@H]2CN(CC(N)=O)CC2(C)C)C1 ZINC000972992540 616253272 /nfs/dbraw/zinc/25/32/72/616253272.db2.gz SQNSWMIXYCILPW-MNOVXSKESA-N 1 2 298.387 -1.371 20 0 CAADLO C[N@@H+]1CCO[C@H](C(=O)N[C@H]2CN(CC(N)=O)CC2(C)C)C1 ZINC000972992541 616260115 /nfs/dbraw/zinc/26/01/15/616260115.db2.gz SQNSWMIXYCILPW-QWRGUYRKSA-N 1 2 298.387 -1.371 20 0 CAADLO C[N@H+]1CCO[C@H](C(=O)N[C@H]2CN(CC(N)=O)CC2(C)C)C1 ZINC000972992541 616260116 /nfs/dbraw/zinc/26/01/16/616260116.db2.gz SQNSWMIXYCILPW-QWRGUYRKSA-N 1 2 298.387 -1.371 20 0 CAADLO CN1CC[C@@H](C(=O)N2CCC[N@H+](CC(N)=O)CC2)CC1=O ZINC000981469892 616264566 /nfs/dbraw/zinc/26/45/66/616264566.db2.gz OWFGSPTYHCVTBY-LLVKDONJSA-N 1 2 296.371 -1.126 20 0 CAADLO CN1CC[C@@H](C(=O)N2CCC[N@@H+](CC(N)=O)CC2)CC1=O ZINC000981469892 616264567 /nfs/dbraw/zinc/26/45/67/616264567.db2.gz OWFGSPTYHCVTBY-LLVKDONJSA-N 1 2 296.371 -1.126 20 0 CAADLO CN1C[C@@H](C(=O)N[C@H]2C[N@H+](CC(N)=O)CC2(C)C)NC1=O ZINC000974904512 616278629 /nfs/dbraw/zinc/27/86/29/616278629.db2.gz RBDAQRAVXBQOLS-IUCAKERBSA-N 1 2 297.359 -1.678 20 0 CAADLO CN1C[C@@H](C(=O)N[C@H]2C[N@@H+](CC(N)=O)CC2(C)C)NC1=O ZINC000974904512 616278630 /nfs/dbraw/zinc/27/86/30/616278630.db2.gz RBDAQRAVXBQOLS-IUCAKERBSA-N 1 2 297.359 -1.678 20 0 CAADLO CN1C[C@H](C(=O)N[C@@H]2C[N@H+](CC(N)=O)CC2(C)C)NC1=O ZINC000974904513 616416774 /nfs/dbraw/zinc/41/67/74/616416774.db2.gz RBDAQRAVXBQOLS-RKDXNWHRSA-N 1 2 297.359 -1.678 20 0 CAADLO CN1C[C@H](C(=O)N[C@@H]2C[N@@H+](CC(N)=O)CC2(C)C)NC1=O ZINC000974904513 616416777 /nfs/dbraw/zinc/41/67/77/616416777.db2.gz RBDAQRAVXBQOLS-RKDXNWHRSA-N 1 2 297.359 -1.678 20 0 CAADLO CN1C[C@H](C(=O)N[C@H]2C[N@H+](CC(N)=O)CC2(C)C)CC1=O ZINC000974638671 616419052 /nfs/dbraw/zinc/41/90/52/616419052.db2.gz GXDJWXKVQWFDMI-ZJUUUORDSA-N 1 2 296.371 -1.223 20 0 CAADLO CN1C[C@H](C(=O)N[C@H]2C[N@@H+](CC(N)=O)CC2(C)C)CC1=O ZINC000974638671 616419056 /nfs/dbraw/zinc/41/90/56/616419056.db2.gz GXDJWXKVQWFDMI-ZJUUUORDSA-N 1 2 296.371 -1.223 20 0 CAADLO CNC(=O)C[NH+]1CC([C@@H](C)NC(=O)[C@H]2COCCN2C)C1 ZINC000969513281 616596407 /nfs/dbraw/zinc/59/64/07/616596407.db2.gz BPHNVZMNMRVGNT-ZYHUDNBSSA-N 1 2 298.387 -1.501 20 0 CAADLO CNC(=O)C[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCC(=O)NC2)C1 ZINC000970020986 616596432 /nfs/dbraw/zinc/59/64/32/616596432.db2.gz PCXVRZLGOXFXHA-NXEZZACHSA-N 1 2 296.371 -1.305 20 0 CAADLO CNC(=O)C[NH+]1CC([C@@H](C)NC(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC000970269935 616596474 /nfs/dbraw/zinc/59/64/74/616596474.db2.gz DIRFUUDPVWQTBP-PSASIEDQSA-N 1 2 297.359 -1.808 20 0 CAADLO CNC(=O)C[NH+]1CC([C@@H](C)NC(=O)[C@H]2CNC(=O)N2)C1 ZINC000970354764 616596524 /nfs/dbraw/zinc/59/65/24/616596524.db2.gz SYHBQLPATUOAEI-VXNVDRBHSA-N 1 2 283.332 -2.150 20 0 CAADLO CNC(=O)C[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCNC(=O)C2)C1 ZINC000969480245 616596599 /nfs/dbraw/zinc/59/65/99/616596599.db2.gz REVYCRAECCMJTH-NXEZZACHSA-N 1 2 296.371 -1.305 20 0 CAADLO CNC(=O)C[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCC(=O)NC2)C1 ZINC000970020989 616596609 /nfs/dbraw/zinc/59/66/09/616596609.db2.gz PCXVRZLGOXFXHA-ZJUUUORDSA-N 1 2 296.371 -1.305 20 0 CAADLO CNC(=O)C[NH+]1CC([C@@H](C)NC(=O)[C@@H]2COCCO2)C1 ZINC000969322848 616596786 /nfs/dbraw/zinc/59/67/86/616596786.db2.gz JQFKRXVTECQHRE-KOLCDFICSA-N 1 2 285.344 -1.416 20 0 CAADLO CNC(=O)C[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC000970269936 616596822 /nfs/dbraw/zinc/59/68/22/616596822.db2.gz DIRFUUDPVWQTBP-SCZZXKLOSA-N 1 2 297.359 -1.808 20 0 CAADLO CNC(=O)C[NH+]1CC([C@@H](C)NC(=O)c2ccc(=O)[nH]n2)C1 ZINC000969247960 616597197 /nfs/dbraw/zinc/59/71/97/616597197.db2.gz ZYTMDCFCEYAYHM-MRVPVSSYSA-N 1 2 293.327 -1.022 20 0 CAADLO CNC(=O)C[NH+]1CC([C@@H](C)NC(=O)c2cnc[nH]c2=O)C1 ZINC000969927185 616597393 /nfs/dbraw/zinc/59/73/93/616597393.db2.gz UALICTXECRHRRB-MRVPVSSYSA-N 1 2 293.327 -1.022 20 0 CAADLO CNC(=O)C[NH+]1CC([C@@H](C)NC(=O)c2nnn(C)n2)C1 ZINC000970288685 616598213 /nfs/dbraw/zinc/59/82/13/616598213.db2.gz VHZGPGHKSGSQKQ-SSDOTTSWSA-N 1 2 281.320 -1.994 20 0 CAADLO CNC(=O)C[NH+]1CC([C@@H](C)NC(=O)c2ncn(C)n2)C1 ZINC000969593485 616598286 /nfs/dbraw/zinc/59/82/86/616598286.db2.gz GLOWQDWBKWJFIF-MRVPVSSYSA-N 1 2 280.332 -1.389 20 0 CAADLO CNC(=O)C[NH+]1CC([C@H](C)NC(=O)[C@H]2CNC(=O)N2)C1 ZINC000970354763 616598871 /nfs/dbraw/zinc/59/88/71/616598871.db2.gz SYHBQLPATUOAEI-IONNQARKSA-N 1 2 283.332 -2.150 20 0 CAADLO CNC(=O)C[NH+]1CC([C@H](C)NC(=O)[C@@H]2COC(=O)N2)C1 ZINC000969586584 616598905 /nfs/dbraw/zinc/59/89/05/616598905.db2.gz ZGOMOXLTGPEQMI-CBAPKCEASA-N 1 2 284.316 -1.723 20 0 CAADLO CNC(=O)C[NH+]1CC([C@H](C)NC(=O)c2c[nH]c(=O)cn2)C1 ZINC000970340293 616598914 /nfs/dbraw/zinc/59/89/14/616598914.db2.gz ONRNDPZPAOHLLP-QMMMGPOBSA-N 1 2 293.327 -1.434 20 0 CAADLO CNC(=O)C[NH+]1CC([C@H](C)NC(=O)c2[nH]nnc2C)C1 ZINC000970254123 616598933 /nfs/dbraw/zinc/59/89/33/616598933.db2.gz WOPPXZWPYMIYBP-ZETCQYMHSA-N 1 2 280.332 -1.091 20 0 CAADLO CNC(=O)C[NH+]1CC([C@H](C)NC(=O)[C@@H]2COCCN2C)C1 ZINC000969513279 616598938 /nfs/dbraw/zinc/59/89/38/616598938.db2.gz BPHNVZMNMRVGNT-JQWIXIFHSA-N 1 2 298.387 -1.501 20 0 CAADLO CNC(=O)C[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCNC2=O)C1 ZINC000970265564 616598952 /nfs/dbraw/zinc/59/89/52/616598952.db2.gz RAWRPRBQPABFMF-WCBMZHEXSA-N 1 2 282.344 -1.695 20 0 CAADLO CNC(=O)C[NH+]1CC([C@H](C)NC(=O)[C@H]2CCNC(=O)C2)C1 ZINC000969480246 616599036 /nfs/dbraw/zinc/59/90/36/616599036.db2.gz REVYCRAECCMJTH-UWVGGRQHSA-N 1 2 296.371 -1.305 20 0 CAADLO CNC(=O)C[NH+]1CC([C@H](C)NC(=O)c2cn(C)nn2)C1 ZINC000969582137 616599271 /nfs/dbraw/zinc/59/92/71/616599271.db2.gz AQQUMAZTMRNKRQ-QMMMGPOBSA-N 1 2 280.332 -1.389 20 0 CAADLO CNC(=O)C[NH+]1CC([C@H](C)NC(=O)c2cnn(C)n2)C1 ZINC000970572257 616599448 /nfs/dbraw/zinc/59/94/48/616599448.db2.gz TYEAMMWOMQUCJB-QMMMGPOBSA-N 1 2 280.332 -1.389 20 0 CAADLO CNC(=O)C[NH+]1CC([C@H](C)NC(=O)c2cnnn2C)C1 ZINC000969599762 616599495 /nfs/dbraw/zinc/59/94/95/616599495.db2.gz RAJMUTXJIQONCX-QMMMGPOBSA-N 1 2 280.332 -1.389 20 0 CAADLO CNC(=O)C[NH+]1CC([C@H](C)NC(=O)c2cnon2)C1 ZINC000970620211 616599510 /nfs/dbraw/zinc/59/95/10/616599510.db2.gz SZSKEZHLHABUAN-ZETCQYMHSA-N 1 2 267.289 -1.134 20 0 CAADLO CNC(=O)C[NH+]1CC([C@H](C)NC(=O)c2cn(C)c(=O)[nH]2)C1 ZINC000970369612 616599593 /nfs/dbraw/zinc/59/95/93/616599593.db2.gz RWLJECJKSDYXBB-QMMMGPOBSA-N 1 2 295.343 -1.078 20 0 CAADLO CNC(=O)C[NH+]1CC([C@H](C)NC(=O)c2ncn(C)n2)C1 ZINC000969593486 616599923 /nfs/dbraw/zinc/59/99/23/616599923.db2.gz GLOWQDWBKWJFIF-QMMMGPOBSA-N 1 2 280.332 -1.389 20 0 CAADLO CNC(=O)C[NH+]1CC([C@H](C)NC(=O)c2nnn(C)n2)C1 ZINC000970288686 616600344 /nfs/dbraw/zinc/60/03/44/616600344.db2.gz VHZGPGHKSGSQKQ-ZETCQYMHSA-N 1 2 281.320 -1.994 20 0 CAADLO CNC(=O)C[N@@H+]1CCCN(C(=O)CN2CCOCC2)CC1 ZINC000980999180 616603187 /nfs/dbraw/zinc/60/31/87/616603187.db2.gz GPBZAQUJVRHGFM-UHFFFAOYSA-N 1 2 298.387 -1.401 20 0 CAADLO CNC(=O)C[N@H+]1CCCN(C(=O)CN2CCOCC2)CC1 ZINC000980999180 616603190 /nfs/dbraw/zinc/60/31/90/616603190.db2.gz GPBZAQUJVRHGFM-UHFFFAOYSA-N 1 2 298.387 -1.401 20 0 CAADLO CNC(=O)C[N@@H+]1CCCN(C(=O)C[C@@H]2CCC(=O)N2)CC1 ZINC000982190750 616603199 /nfs/dbraw/zinc/60/31/99/616603199.db2.gz SWYVXGXCSJESCH-NSHDSACASA-N 1 2 296.371 -1.065 20 0 CAADLO CNC(=O)C[N@H+]1CCCN(C(=O)C[C@@H]2CCC(=O)N2)CC1 ZINC000982190750 616603201 /nfs/dbraw/zinc/60/32/01/616603201.db2.gz SWYVXGXCSJESCH-NSHDSACASA-N 1 2 296.371 -1.065 20 0 CAADLO CNC(=O)C[N@@H+]1CCCN(C(=O)C[C@H]2CCNC2=O)CC1 ZINC000981321463 616603319 /nfs/dbraw/zinc/60/33/19/616603319.db2.gz DOHSMJQLUJYYQL-LLVKDONJSA-N 1 2 296.371 -1.207 20 0 CAADLO CNC(=O)C[N@H+]1CCCN(C(=O)C[C@H]2CCNC2=O)CC1 ZINC000981321463 616603320 /nfs/dbraw/zinc/60/33/20/616603320.db2.gz DOHSMJQLUJYYQL-LLVKDONJSA-N 1 2 296.371 -1.207 20 0 CAADLO CNC(=O)C[N@@H+]1CCCN(C(=O)CCn2ccnn2)CC1 ZINC000981049756 616603878 /nfs/dbraw/zinc/60/38/78/616603878.db2.gz GYUDAJBMPOHKRM-UHFFFAOYSA-N 1 2 294.359 -1.052 20 0 CAADLO CNC(=O)C[N@H+]1CCCN(C(=O)CCn2ccnn2)CC1 ZINC000981049756 616603883 /nfs/dbraw/zinc/60/38/83/616603883.db2.gz GYUDAJBMPOHKRM-UHFFFAOYSA-N 1 2 294.359 -1.052 20 0 CAADLO COCC(=O)N1CC[C@@H]([NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC000965960775 616603992 /nfs/dbraw/zinc/60/39/92/616603992.db2.gz NMGOCQXXWHMNFO-MRVPVSSYSA-N 1 2 269.305 -1.555 20 0 CAADLO CNC(=O)C[N@@H+]1CCCN(C(=O)Cn2ncnn2)CC1 ZINC000981172274 616604308 /nfs/dbraw/zinc/60/43/08/616604308.db2.gz ZFBWBERCWLWIRP-UHFFFAOYSA-N 1 2 281.320 -2.047 20 0 CAADLO CNC(=O)C[N@H+]1CCCN(C(=O)Cn2ncnn2)CC1 ZINC000981172274 616604311 /nfs/dbraw/zinc/60/43/11/616604311.db2.gz ZFBWBERCWLWIRP-UHFFFAOYSA-N 1 2 281.320 -2.047 20 0 CAADLO CNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2CCC(=O)N2C)CC1 ZINC000981770836 616604479 /nfs/dbraw/zinc/60/44/79/616604479.db2.gz XKROUQIANOFFFU-NSHDSACASA-N 1 2 296.371 -1.113 20 0 CAADLO CNC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2CCC(=O)N2C)CC1 ZINC000981770836 616604481 /nfs/dbraw/zinc/60/44/81/616604481.db2.gz XKROUQIANOFFFU-NSHDSACASA-N 1 2 296.371 -1.113 20 0 CAADLO CNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2COCCO2)CC1 ZINC000980737210 616604497 /nfs/dbraw/zinc/60/44/97/616604497.db2.gz AOZKIGZDQSUBFL-NSHDSACASA-N 1 2 285.344 -1.318 20 0 CAADLO CNC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2COCCO2)CC1 ZINC000980737210 616604500 /nfs/dbraw/zinc/60/45/00/616604500.db2.gz AOZKIGZDQSUBFL-NSHDSACASA-N 1 2 285.344 -1.318 20 0 CAADLO CNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2CCC(=O)NC2)CC1 ZINC000981519599 616604620 /nfs/dbraw/zinc/60/46/20/616604620.db2.gz BOXOZTSAEZEOJZ-LLVKDONJSA-N 1 2 296.371 -1.207 20 0 CAADLO CNC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2CCC(=O)NC2)CC1 ZINC000981519599 616604623 /nfs/dbraw/zinc/60/46/23/616604623.db2.gz BOXOZTSAEZEOJZ-LLVKDONJSA-N 1 2 296.371 -1.207 20 0 CAADLO CNC(=O)C[N@@H+]1CCCN(C(=O)[C@H]2COCCN2C)CC1 ZINC000981013972 616605681 /nfs/dbraw/zinc/60/56/81/616605681.db2.gz OECFDIOOFSQEDU-GFCCVEGCSA-N 1 2 298.387 -1.403 20 0 CAADLO CNC(=O)C[N@H+]1CCCN(C(=O)[C@H]2COCCN2C)CC1 ZINC000981013972 616605683 /nfs/dbraw/zinc/60/56/83/616605683.db2.gz OECFDIOOFSQEDU-GFCCVEGCSA-N 1 2 298.387 -1.403 20 0 CAADLO CNC(=O)C[N@@H+]1CCCN(C(=O)[C@]2(C)CCNC2=O)CC1 ZINC000981944824 616605698 /nfs/dbraw/zinc/60/56/98/616605698.db2.gz AAAWAABOGWLNKC-CQSZACIVSA-N 1 2 296.371 -1.207 20 0 CAADLO CNC(=O)C[N@H+]1CCCN(C(=O)[C@]2(C)CCNC2=O)CC1 ZINC000981944824 616605700 /nfs/dbraw/zinc/60/57/00/616605700.db2.gz AAAWAABOGWLNKC-CQSZACIVSA-N 1 2 296.371 -1.207 20 0 CAADLO CNC(=O)C[N@@H+]1CCCN(C(=O)[C@H]2CC[C@H]2C(N)=O)CC1 ZINC000981744697 616605893 /nfs/dbraw/zinc/60/58/93/616605893.db2.gz IURGRWJTTPEMLD-MNOVXSKESA-N 1 2 296.371 -1.222 20 0 CAADLO CNC(=O)C[N@H+]1CCCN(C(=O)[C@H]2CC[C@H]2C(N)=O)CC1 ZINC000981744697 616605896 /nfs/dbraw/zinc/60/58/96/616605896.db2.gz IURGRWJTTPEMLD-MNOVXSKESA-N 1 2 296.371 -1.222 20 0 CAADLO CNC(=O)C[N@@H+]1CCCN(C(=O)[C@H]2CNC(=O)N2)CC1 ZINC000981850828 616605900 /nfs/dbraw/zinc/60/59/00/616605900.db2.gz VLFARHAVQZIJPE-SECBINFHSA-N 1 2 283.332 -2.052 20 0 CAADLO CNC(=O)C[N@H+]1CCCN(C(=O)[C@H]2CNC(=O)N2)CC1 ZINC000981850828 616605902 /nfs/dbraw/zinc/60/59/02/616605902.db2.gz VLFARHAVQZIJPE-SECBINFHSA-N 1 2 283.332 -2.052 20 0 CAADLO CNC(=O)C[N@@H+]1CCCN(C(=O)[C@H]2COC(=O)N2)CC1 ZINC000981071901 616606091 /nfs/dbraw/zinc/60/60/91/616606091.db2.gz WCKFDKZRRAMOMX-SECBINFHSA-N 1 2 284.316 -1.625 20 0 CAADLO CNC(=O)C[N@H+]1CCCN(C(=O)[C@H]2COC(=O)N2)CC1 ZINC000981071901 616606096 /nfs/dbraw/zinc/60/60/96/616606096.db2.gz WCKFDKZRRAMOMX-SECBINFHSA-N 1 2 284.316 -1.625 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)C(N)=O)C1 ZINC000968132368 616611153 /nfs/dbraw/zinc/61/11/53/616611153.db2.gz QHQCJERBTWTTLL-HTQZYQBOSA-N 1 2 256.306 -1.956 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)C(N)=O)C1 ZINC000968132368 616611155 /nfs/dbraw/zinc/61/11/55/616611155.db2.gz QHQCJERBTWTTLL-HTQZYQBOSA-N 1 2 256.306 -1.956 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)Cc2nc[nH]n2)C1 ZINC000968518142 616611981 /nfs/dbraw/zinc/61/19/81/616611981.db2.gz YLNYCOFSLGWOSO-NXEZZACHSA-N 1 2 294.359 -1.080 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)Cc2nc[nH]n2)C1 ZINC000968518142 616611986 /nfs/dbraw/zinc/61/19/86/616611986.db2.gz YLNYCOFSLGWOSO-NXEZZACHSA-N 1 2 294.359 -1.080 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cc2nnc[nH]2)[C@H](C)C1 ZINC000944048269 616613757 /nfs/dbraw/zinc/61/37/57/616613757.db2.gz XOVQDFQKHJMXEZ-NXEZZACHSA-N 1 2 294.359 -1.080 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)Cc2nnc[nH]2)[C@H](C)C1 ZINC000944048269 616613759 /nfs/dbraw/zinc/61/37/59/616613759.db2.gz XOVQDFQKHJMXEZ-NXEZZACHSA-N 1 2 294.359 -1.080 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cn[nH]n2)[C@@H](C)C1 ZINC000942216114 616617523 /nfs/dbraw/zinc/61/75/23/616617523.db2.gz JPVZMWCJWCPWLL-DTWKUNHWSA-N 1 2 280.332 -1.009 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cn[nH]n2)[C@@H](C)C1 ZINC000942216114 616617524 /nfs/dbraw/zinc/61/75/24/616617524.db2.gz JPVZMWCJWCPWLL-DTWKUNHWSA-N 1 2 280.332 -1.009 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cnn[nH]2)[C@@H](C)C1 ZINC000942216114 616617526 /nfs/dbraw/zinc/61/75/26/616617526.db2.gz JPVZMWCJWCPWLL-DTWKUNHWSA-N 1 2 280.332 -1.009 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cnn[nH]2)[C@@H](C)C1 ZINC000942216114 616617529 /nfs/dbraw/zinc/61/75/29/616617529.db2.gz JPVZMWCJWCPWLL-DTWKUNHWSA-N 1 2 280.332 -1.009 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)C(N)=O)C1 ZINC000968132372 616618327 /nfs/dbraw/zinc/61/83/27/616618327.db2.gz QHQCJERBTWTTLL-YUMQZZPRSA-N 1 2 256.306 -1.956 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)C(N)=O)C1 ZINC000968132372 616618329 /nfs/dbraw/zinc/61/83/29/616618329.db2.gz QHQCJERBTWTTLL-YUMQZZPRSA-N 1 2 256.306 -1.956 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2nnn(C)n2)C1 ZINC000967751681 616619070 /nfs/dbraw/zinc/61/90/70/616619070.db2.gz XEEUETHYIXRVBX-IUCAKERBSA-N 1 2 295.347 -1.604 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2nnn(C)n2)C1 ZINC000967751681 616619072 /nfs/dbraw/zinc/61/90/72/616619072.db2.gz XEEUETHYIXRVBX-IUCAKERBSA-N 1 2 295.347 -1.604 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)Cc2nc[nH]n2)C1 ZINC000968518144 616620633 /nfs/dbraw/zinc/62/06/33/616620633.db2.gz YLNYCOFSLGWOSO-VHSXEESVSA-N 1 2 294.359 -1.080 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](C)[C@H](NC(=O)Cc2nc[nH]n2)C1 ZINC000968518144 616620635 /nfs/dbraw/zinc/62/06/35/616620635.db2.gz YLNYCOFSLGWOSO-VHSXEESVSA-N 1 2 294.359 -1.080 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2nnc[nH]2)[C@@H](C)C1 ZINC000943676799 616627201 /nfs/dbraw/zinc/62/72/01/616627201.db2.gz VYLZMGNVIASBFS-IUCAKERBSA-N 1 2 280.332 -1.009 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)c2nnc[nH]2)[C@@H](C)C1 ZINC000943676799 616627204 /nfs/dbraw/zinc/62/72/04/616627204.db2.gz VYLZMGNVIASBFS-IUCAKERBSA-N 1 2 280.332 -1.009 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2ncn[nH]2)[C@@H](C)C1 ZINC000943676799 616627209 /nfs/dbraw/zinc/62/72/09/616627209.db2.gz VYLZMGNVIASBFS-IUCAKERBSA-N 1 2 280.332 -1.009 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)c2ncn[nH]2)[C@@H](C)C1 ZINC000943676799 616627214 /nfs/dbraw/zinc/62/72/14/616627214.db2.gz VYLZMGNVIASBFS-IUCAKERBSA-N 1 2 280.332 -1.009 20 0 CAADLO CNC(=O)C[N@@H+]1C[C@@H](NC(=O)Cc2nc[nH]n2)C(C)(C)C1 ZINC000977471772 616628109 /nfs/dbraw/zinc/62/81/09/616628109.db2.gz HBXCMZYFIASKCJ-SECBINFHSA-N 1 2 294.359 -1.080 20 0 CAADLO CNC(=O)C[N@H+]1C[C@@H](NC(=O)Cc2nc[nH]n2)C(C)(C)C1 ZINC000977471772 616628111 /nfs/dbraw/zinc/62/81/11/616628111.db2.gz HBXCMZYFIASKCJ-SECBINFHSA-N 1 2 294.359 -1.080 20 0 CAADLO CNC(=O)C[N@@H+]1C[C@H](NC(=O)c2nnn(C)n2)C(C)(C)C1 ZINC000974953429 616637052 /nfs/dbraw/zinc/63/70/52/616637052.db2.gz YXEGCCWAHFYTHJ-QMMMGPOBSA-N 1 2 295.347 -1.604 20 0 CAADLO CNC(=O)C[N@H+]1C[C@H](NC(=O)c2nnn(C)n2)C(C)(C)C1 ZINC000974953429 616637056 /nfs/dbraw/zinc/63/70/56/616637056.db2.gz YXEGCCWAHFYTHJ-QMMMGPOBSA-N 1 2 295.347 -1.604 20 0 CAADLO CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1nnc[nH]1 ZINC000962234395 616642979 /nfs/dbraw/zinc/64/29/79/616642979.db2.gz WMDGWXMTRQKZNY-JDICNCQASA-N 1 2 278.316 -1.860 20 0 CAADLO CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1nnc[nH]1 ZINC000962234395 616642981 /nfs/dbraw/zinc/64/29/81/616642981.db2.gz WMDGWXMTRQKZNY-JDICNCQASA-N 1 2 278.316 -1.860 20 0 CAADLO CNC(=O)CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1c[nH+]cc1C ZINC000961169640 616643038 /nfs/dbraw/zinc/64/30/38/616643038.db2.gz GKNKFWUYLYRUJO-YABSGUDNSA-N 1 2 291.355 -1.016 20 0 CAADLO CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cncc1C ZINC000961169640 616643051 /nfs/dbraw/zinc/64/30/51/616643051.db2.gz GKNKFWUYLYRUJO-YABSGUDNSA-N 1 2 291.355 -1.016 20 0 CAADLO CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cncc1C ZINC000961169640 616643052 /nfs/dbraw/zinc/64/30/52/616643052.db2.gz GKNKFWUYLYRUJO-YABSGUDNSA-N 1 2 291.355 -1.016 20 0 CAADLO CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1n[nH]c(C)n1 ZINC000958817256 616643543 /nfs/dbraw/zinc/64/35/43/616643543.db2.gz XUUZOFPWKQDPEO-WOFXILAISA-N 1 2 292.343 -1.552 20 0 CAADLO CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1n[nH]c(C)n1 ZINC000958817256 616643546 /nfs/dbraw/zinc/64/35/46/616643546.db2.gz XUUZOFPWKQDPEO-WOFXILAISA-N 1 2 292.343 -1.552 20 0 CAADLO COCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC000958881811 616682809 /nfs/dbraw/zinc/68/28/09/616682809.db2.gz NIAHBJGJKFWATH-QWRGUYRKSA-N 1 2 296.327 -1.440 20 0 CAADLO COCC(=O)N1C[C@@H](NC(=O)Cc2c[nH]c[nH+]2)[C@@H](O)C1 ZINC000970950744 616685103 /nfs/dbraw/zinc/68/51/03/616685103.db2.gz LCCOTWRICUZHNS-ZJUUUORDSA-N 1 2 282.300 -1.714 20 0 CAADLO COCC(=O)N1C[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@@H](O)C1 ZINC000969069553 616685110 /nfs/dbraw/zinc/68/51/10/616685110.db2.gz DSYXULWMFHRQLT-MNOVXSKESA-N 1 2 296.327 -1.703 20 0 CAADLO COCC(=O)N1C[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H](O)C1 ZINC000968452812 616685278 /nfs/dbraw/zinc/68/52/78/616685278.db2.gz RTCULVILBAFJEE-ZJUUUORDSA-N 1 2 282.300 -1.783 20 0 CAADLO CO[C@@H]1CN(C(=O)C(N)=O)C[C@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC000946975532 616726030 /nfs/dbraw/zinc/72/60/30/616726030.db2.gz IIJABOKKAGHUEI-RKDXNWHRSA-N 1 2 295.299 -2.221 20 0 CAADLO CO[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1NC(=O)C(N)=O ZINC000946498082 616738525 /nfs/dbraw/zinc/73/85/25/616738525.db2.gz QYSMKDUKYMKVDQ-HTQZYQBOSA-N 1 2 295.299 -2.221 20 0 CAADLO CO[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1NC(=O)C(N)=O ZINC000946509732 616738538 /nfs/dbraw/zinc/73/85/38/616738538.db2.gz YUKJSHNCBKLPNO-RKDXNWHRSA-N 1 2 295.299 -2.290 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+]1CCCN(C(=O)c2nnn(C)n2)CC1 ZINC000981777430 616787224 /nfs/dbraw/zinc/78/72/24/616787224.db2.gz HWZCAGMNXIZAHN-SECBINFHSA-N 1 2 295.347 -1.508 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+]1CCCN(C(=O)c2nnn(C)n2)CC1 ZINC000981777430 616787227 /nfs/dbraw/zinc/78/72/27/616787227.db2.gz HWZCAGMNXIZAHN-SECBINFHSA-N 1 2 295.347 -1.508 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)C(N)=O)C(C)(C)C1 ZINC000975004968 616789513 /nfs/dbraw/zinc/78/95/13/616789513.db2.gz ISHPGNUIBKVAOY-HTQZYQBOSA-N 1 2 270.333 -1.567 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)C(N)=O)C(C)(C)C1 ZINC000975004968 616789518 /nfs/dbraw/zinc/78/95/18/616789518.db2.gz ISHPGNUIBKVAOY-HTQZYQBOSA-N 1 2 270.333 -1.567 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1nnc[nH]1 ZINC000962261805 616853647 /nfs/dbraw/zinc/85/36/47/616853647.db2.gz LHJNRJDOWUKARP-APOZVJGGSA-N 1 2 292.343 -1.472 20 0 CAADLO CNC(=O)[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1nnc[nH]1 ZINC000962261805 616853650 /nfs/dbraw/zinc/85/36/50/616853650.db2.gz LHJNRJDOWUKARP-APOZVJGGSA-N 1 2 292.343 -1.472 20 0 CAADLO CO[C@H](C)C(=O)N1CC[C@@H]([NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC000967418032 617034115 /nfs/dbraw/zinc/03/41/15/617034115.db2.gz ONYKUPDGESPNIZ-RKDXNWHRSA-N 1 2 283.332 -1.166 20 0 CAADLO CO[C@H](C)C(=O)N1C[C@@H](NC(=O)Cc2c[nH]c[nH+]2)[C@@H](O)C1 ZINC000970949864 617046670 /nfs/dbraw/zinc/04/66/70/617046670.db2.gz AKXZLZICEMABQY-IEBDPFPHSA-N 1 2 296.327 -1.325 20 0 CAADLO COc1cc(C(=O)NC[C@H]2C[N@H+](CC(N)=O)C[C@@H]2O)on1 ZINC000957978384 617162258 /nfs/dbraw/zinc/16/22/58/617162258.db2.gz BNGATFMTXLTQHR-YUMQZZPRSA-N 1 2 298.299 -1.809 20 0 CAADLO COc1cc(C(=O)NC[C@H]2C[N@@H+](CC(N)=O)C[C@@H]2O)on1 ZINC000957978384 617162259 /nfs/dbraw/zinc/16/22/59/617162259.db2.gz BNGATFMTXLTQHR-YUMQZZPRSA-N 1 2 298.299 -1.809 20 0 CAADLO COc1cc(C(=O)N[C@@H](C)C2C[NH+](CC(N)=O)C2)nn1C ZINC000970120022 617163277 /nfs/dbraw/zinc/16/32/77/617163277.db2.gz JDFZWLLAMDKHEA-QMMMGPOBSA-N 1 2 295.343 -1.036 20 0 CAADLO CN1CC[C@@H](C(=O)NC2(CCO)C[NH+](CCCO)C2)C1=O ZINC001276075279 782187568 /nfs/dbraw/zinc/18/75/68/782187568.db2.gz CQZPOGWIJWJTMJ-NSHDSACASA-N 1 2 299.371 -1.600 20 0 CAADLO C[C@H](O)C[NH+]1CC(CCO)(NC(=O)[C@H]2CCCNC2=O)C1 ZINC001276057149 782187597 /nfs/dbraw/zinc/18/75/97/782187597.db2.gz UTPHRLJSTUPZCO-QWRGUYRKSA-N 1 2 299.371 -1.554 20 0 CAADLO C[C@@H](O)C[NH+]1CC(CCO)(NC(=O)[C@H]2CCCNC2=O)C1 ZINC001276057148 782187696 /nfs/dbraw/zinc/18/76/96/782187696.db2.gz UTPHRLJSTUPZCO-MNOVXSKESA-N 1 2 299.371 -1.554 20 0 CAADLO CCNC(=O)CC(=O)NC1(CCO)C[NH+](CCO)C1 ZINC001276044106 782187712 /nfs/dbraw/zinc/18/77/12/782187712.db2.gz NVSVPXPOPWXSPP-UHFFFAOYSA-N 1 2 273.333 -1.942 20 0 CAADLO CO[C@@H](C)C[NH+]1CC(CCO)(NC(=O)[C@@H]2CCNC2=O)C1 ZINC001276075265 782187725 /nfs/dbraw/zinc/18/77/25/782187725.db2.gz CJDLPZRTUCVUNC-WDEREUQCSA-N 1 2 299.371 -1.290 20 0 CAADLO C[C@@H](O)C[NH+]1CC(CCO)(NC(=O)[C@H]2CCN(C)C2=O)C1 ZINC001276075631 782188326 /nfs/dbraw/zinc/18/83/26/782188326.db2.gz MYUVYNUCUIVQGF-GHMZBOCLSA-N 1 2 299.371 -1.602 20 0 CAADLO CCO[C@H](C[NH+]1CC(CCO)(NC(=O)C(N)=O)C1)C1CC1 ZINC001276082279 782188492 /nfs/dbraw/zinc/18/84/92/782188492.db2.gz GNXDDKKRVPEMJK-LLVKDONJSA-N 1 2 299.371 -1.160 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1C[C@H](NC(=O)C(N)=O)C(C)(C)C1 ZINC000974990342 656080251 /nfs/dbraw/zinc/08/02/51/656080251.db2.gz AGPRSNVTJVOVDE-BQBZGAKWSA-N 1 2 256.306 -1.828 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1C[C@H](NC(=O)C(N)=O)C(C)(C)C1 ZINC000974990342 656080253 /nfs/dbraw/zinc/08/02/53/656080253.db2.gz AGPRSNVTJVOVDE-BQBZGAKWSA-N 1 2 256.306 -1.828 20 0 CAADLO C[NH+](C)C[C@@H](CO)NC(=O)[C@]1(C)CCCS1(=O)=O ZINC000908203126 656210991 /nfs/dbraw/zinc/21/09/91/656210991.db2.gz ZICXPTMKCNOCNQ-ONGXEEELSA-N 1 2 278.374 -1.008 20 0 CAADLO COCCS(=O)(=O)CC(=O)N(C)CC[N@H+](C)CCO ZINC000912609683 656263397 /nfs/dbraw/zinc/26/33/97/656263397.db2.gz INZDXVARKYHNHD-UHFFFAOYSA-N 1 2 296.389 -1.570 20 0 CAADLO COCCS(=O)(=O)CC(=O)N(C)CC[N@@H+](C)CCO ZINC000912609683 656263400 /nfs/dbraw/zinc/26/34/00/656263400.db2.gz INZDXVARKYHNHD-UHFFFAOYSA-N 1 2 296.389 -1.570 20 0 CAADLO CN(C)S(=O)(=O)CC(=O)N1CC[N@H+](C)C[C@H]1CO ZINC000912740344 656265467 /nfs/dbraw/zinc/26/54/67/656265467.db2.gz VFHMNMPIMHBVSO-VIFPVBQESA-N 1 2 279.362 -1.987 20 0 CAADLO CN(C)S(=O)(=O)CC(=O)N1CC[N@@H+](C)C[C@H]1CO ZINC000912740344 656265471 /nfs/dbraw/zinc/26/54/71/656265471.db2.gz VFHMNMPIMHBVSO-VIFPVBQESA-N 1 2 279.362 -1.987 20 0 CAADLO Nc1nsc(N2CC[NH+](C[C@H](O)CO)CC2)n1 ZINC000930021615 656835089 /nfs/dbraw/zinc/83/50/89/656835089.db2.gz LMUFVSAWVXKMQS-ZETCQYMHSA-N 1 2 259.335 -1.405 20 0 CAADLO C[C@H](NC(=O)c1cnn(C)c1)C1C[NH+](CC(N)=O)C1 ZINC000969277429 655996375 /nfs/dbraw/zinc/99/63/75/655996375.db2.gz ZFWYRKJQOLGQQG-QMMMGPOBSA-N 1 2 265.317 -1.045 20 0 CAADLO Cn1nnc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CCNC3=O)C2)n1 ZINC001020464617 655996777 /nfs/dbraw/zinc/99/67/77/655996777.db2.gz BFVJEHIMPIOMPK-IWSPIJDZSA-N 1 2 293.331 -1.917 20 0 CAADLO C[C@@H](NC(=O)c1ccc(=O)[nH]n1)C1C[NH+](CC(N)=O)C1 ZINC000969252069 655996863 /nfs/dbraw/zinc/99/68/63/655996863.db2.gz LWHIEOVUXUJOQA-SSDOTTSWSA-N 1 2 279.300 -1.282 20 0 CAADLO NC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)Cn1cc[nH+]c1 ZINC000969316298 655996888 /nfs/dbraw/zinc/99/68/88/655996888.db2.gz ZNPUVIXSCKDSHH-AOOOYVTPSA-N 1 2 291.311 -1.430 20 0 CAADLO Cc1nn[nH]c1C(=O)N[C@H]1C[C@H]([NH2+]Cc2nnn(C)n2)C1 ZINC001020457251 655996896 /nfs/dbraw/zinc/99/68/96/655996896.db2.gz MWTHKCCJQFCJAA-ZKCHVHJHSA-N 1 2 291.319 -1.313 20 0 CAADLO C[C@H](NC(=O)c1cc[n+]([O-])cc1)C1C[NH+](CC(N)=O)C1 ZINC000969252217 655996922 /nfs/dbraw/zinc/99/69/22/655996922.db2.gz OYUHMXLUDMCGHP-VIFPVBQESA-N 1 2 278.312 -1.145 20 0 CAADLO C[C@H](NC(=O)c1ccn[nH]1)C1C[NH+](CC(N)=O)C1 ZINC000969333232 655997222 /nfs/dbraw/zinc/99/72/22/655997222.db2.gz SXSGSCJVRZYUJK-ZETCQYMHSA-N 1 2 251.290 -1.055 20 0 CAADLO C[C@@H](NC(=O)c1cn[nH]c1)C1C[NH+](CC(N)=O)C1 ZINC000969343158 655997297 /nfs/dbraw/zinc/99/72/97/655997297.db2.gz UHOYHROBLVUECU-SSDOTTSWSA-N 1 2 251.290 -1.055 20 0 CAADLO C[C@H](NC(=O)[C@@H]1CCOC1)C1C[NH+](CC(N)=O)C1 ZINC000969370451 655997783 /nfs/dbraw/zinc/99/77/83/655997783.db2.gz NAUWBAPSXHDSHV-DTWKUNHWSA-N 1 2 255.318 -1.055 20 0 CAADLO C[C@H](NC(=O)c1ccnn1C)C1C[NH+](CC(N)=O)C1 ZINC000969385379 655997923 /nfs/dbraw/zinc/99/79/23/655997923.db2.gz OJRYSEGKNLAUBE-QMMMGPOBSA-N 1 2 265.317 -1.045 20 0 CAADLO C[C@@H](NC(=O)[C@@H]1CCOC1)C1C[NH+](CC(N)=O)C1 ZINC000969370454 655997954 /nfs/dbraw/zinc/99/79/54/655997954.db2.gz NAUWBAPSXHDSHV-RKDXNWHRSA-N 1 2 255.318 -1.055 20 0 CAADLO C[C@@H](NC(=O)[C@H]1CCOC1)C1C[NH+](CC(N)=O)C1 ZINC000969370450 655998095 /nfs/dbraw/zinc/99/80/95/655998095.db2.gz NAUWBAPSXHDSHV-BDAKNGLRSA-N 1 2 255.318 -1.055 20 0 CAADLO C[C@H](NC(=O)[C@H]1CCC(=O)N1)C1C[NH+](CC(N)=O)C1 ZINC000969411200 655998707 /nfs/dbraw/zinc/99/87/07/655998707.db2.gz YSVSZWWCEXPRTO-IONNQARKSA-N 1 2 268.317 -1.813 20 0 CAADLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CN(C(=O)C(N)=O)C[C@@H]1O ZINC000969418147 655998877 /nfs/dbraw/zinc/99/88/77/655998877.db2.gz FNBDXXRUHPOAPO-BDAKNGLRSA-N 1 2 295.299 -2.566 20 0 CAADLO C[C@H](NC(=O)[C@@H]1C[N@H+](C)CCO1)C1CN(CC(N)=O)C1 ZINC000969441730 656000237 /nfs/dbraw/zinc/00/02/37/656000237.db2.gz MMTQVKDXGWUYFI-ONGXEEELSA-N 1 2 284.360 -1.761 20 0 CAADLO C[C@H](NC(=O)[C@@H]1C[N@@H+](C)CCO1)C1CN(CC(N)=O)C1 ZINC000969441730 656000242 /nfs/dbraw/zinc/00/02/42/656000242.db2.gz MMTQVKDXGWUYFI-ONGXEEELSA-N 1 2 284.360 -1.761 20 0 CAADLO C[C@@H](NC(=O)[C@@H]1COCCN1C)C1C[NH+](CC(N)=O)C1 ZINC000969517661 656000510 /nfs/dbraw/zinc/00/05/10/656000510.db2.gz MTWLCOSGLFRNOS-KOLCDFICSA-N 1 2 284.360 -1.761 20 0 CAADLO COCCc1nc(C[NH2+][C@H]2C[C@H](NC(=O)C(N)=O)C2)no1 ZINC001020535067 656000602 /nfs/dbraw/zinc/00/06/02/656000602.db2.gz WXTGWNKJAMMBHI-ZKCHVHJHSA-N 1 2 297.315 -1.519 20 0 CAADLO C[C@@H](NC(=O)[C@H]1COCCN1C)C1C[NH+](CC(N)=O)C1 ZINC000969517662 656000636 /nfs/dbraw/zinc/00/06/36/656000636.db2.gz MTWLCOSGLFRNOS-MWLCHTKSSA-N 1 2 284.360 -1.761 20 0 CAADLO C[C@@H](NC(=O)c1cnn(C)c1N)C1C[NH+](CC(N)=O)C1 ZINC000969532073 656000963 /nfs/dbraw/zinc/00/09/63/656000963.db2.gz MGCUDRTYNPJYPT-SSDOTTSWSA-N 1 2 280.332 -1.462 20 0 CAADLO C[C@H](NC(=O)c1cc(=O)n(C)o1)C1C[NH+](CC(N)=O)C1 ZINC000969572048 656001599 /nfs/dbraw/zinc/00/15/99/656001599.db2.gz DJVLQOIKMXPOMD-ZETCQYMHSA-N 1 2 282.300 -1.486 20 0 CAADLO C[C@H](NC(=O)c1cn(C)nn1)C1C[NH+]([C@@H](C)C(N)=O)C1 ZINC000969589838 656001936 /nfs/dbraw/zinc/00/19/36/656001936.db2.gz XNTJPALJQVPICD-YUMQZZPRSA-N 1 2 280.332 -1.261 20 0 CAADLO Cc1noc(C[NH2+][C@@H]2CCN(C(=O)c3nnn(C)n3)C2)n1 ZINC000969621725 656001945 /nfs/dbraw/zinc/00/19/45/656001945.db2.gz AWMVTPCGRJVISN-MRVPVSSYSA-N 1 2 292.303 -1.094 20 0 CAADLO C[C@H](C(N)=O)[NH+]1CC([C@H](C)NC(=O)c2ncn(C)n2)C1 ZINC000969615678 656001960 /nfs/dbraw/zinc/00/19/60/656001960.db2.gz CQKSZNPUDBDZKJ-JGVFFNPUSA-N 1 2 280.332 -1.261 20 0 CAADLO C[C@@H](NC(=O)c1cnnn1C)C1C[NH+]([C@@H](C)C(N)=O)C1 ZINC000969592247 656002278 /nfs/dbraw/zinc/00/22/78/656002278.db2.gz VXKWYBBENHSWRD-SFYZADRCSA-N 1 2 280.332 -1.261 20 0 CAADLO C[C@@H](NC(=O)c1cnnn1C)C1C[NH+]([C@H](C)C(N)=O)C1 ZINC000969592245 656002314 /nfs/dbraw/zinc/00/23/14/656002314.db2.gz VXKWYBBENHSWRD-HTQZYQBOSA-N 1 2 280.332 -1.261 20 0 CAADLO C[C@@H](NC(=O)c1ncn(C)n1)C1C[NH+]([C@@H](C)C(N)=O)C1 ZINC000969615679 656002373 /nfs/dbraw/zinc/00/23/73/656002373.db2.gz CQKSZNPUDBDZKJ-SFYZADRCSA-N 1 2 280.332 -1.261 20 0 CAADLO C[C@H](NC(=O)c1cnnn1C)C1C[NH+]([C@@H](C)C(N)=O)C1 ZINC000969592248 656002399 /nfs/dbraw/zinc/00/23/99/656002399.db2.gz VXKWYBBENHSWRD-YUMQZZPRSA-N 1 2 280.332 -1.261 20 0 CAADLO C[C@H](C(N)=O)[NH+]1CC([C@H](C)NC(=O)c2cn(C)nn2)C1 ZINC000969589833 656002429 /nfs/dbraw/zinc/00/24/29/656002429.db2.gz XNTJPALJQVPICD-JGVFFNPUSA-N 1 2 280.332 -1.261 20 0 CAADLO NC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1[nH]cc[nH+]1 ZINC000969744130 656003019 /nfs/dbraw/zinc/00/30/19/656003019.db2.gz DGYZHUVMPCOOFC-DTORHVGOSA-N 1 2 291.311 -1.361 20 0 CAADLO O=C([C@H]1CNC(=O)N1)N1CC[C@@H]([NH2+]Cc2nncs2)C1 ZINC000969766268 656003620 /nfs/dbraw/zinc/00/36/20/656003620.db2.gz KOTXZYVSAMQNRI-HTQZYQBOSA-N 1 2 296.356 -1.090 20 0 CAADLO NC(=O)C(=O)N1CC[C@@H]([NH2+]Cc2nnc3n2CCOC3)C1 ZINC000969776470 656003761 /nfs/dbraw/zinc/00/37/61/656003761.db2.gz BYFSJSCGYNONNB-MRVPVSSYSA-N 1 2 294.315 -2.016 20 0 CAADLO Cc1noc(C[NH2+][C@@H]2CCN(C(=O)[C@H]3CNC(=O)N3)C2)n1 ZINC000969766136 656003898 /nfs/dbraw/zinc/00/38/98/656003898.db2.gz JHCQLDNYMYXXPQ-RKDXNWHRSA-N 1 2 294.315 -1.250 20 0 CAADLO O=C([C@H]1CNC(=O)N1)N1CC[C@@H]([NH2+]Cc2csnn2)C1 ZINC000969765214 656003982 /nfs/dbraw/zinc/00/39/82/656003982.db2.gz BJFUZXFKSZKMLY-VXNVDRBHSA-N 1 2 296.356 -1.090 20 0 CAADLO NC(=O)C(=O)N1CC[C@@H]([NH2+]Cc2nnnn2C2CC2)C1 ZINC000969777924 656004389 /nfs/dbraw/zinc/00/43/89/656004389.db2.gz RFDWJHBHSXBCTG-SSDOTTSWSA-N 1 2 279.304 -1.816 20 0 CAADLO C[C@@H]([NH2+][C@@H]1CCN(C(=O)C(N)=O)C1)c1nnnn1C ZINC000969784398 656004397 /nfs/dbraw/zinc/00/43/97/656004397.db2.gz QQNWXKPOQQDFGS-RNFRBKRXSA-N 1 2 267.293 -2.053 20 0 CAADLO Cn1[nH]c(C[NH2+][C@@H]2CCN(C(=O)C(N)=O)C2)nc1=O ZINC000969778416 656004411 /nfs/dbraw/zinc/00/44/11/656004411.db2.gz XKONOZJLNXKWIB-ZCFIWIBFSA-N 1 2 268.277 -2.716 20 0 CAADLO Cn1ncnc1C[NH2+][C@@H]1CCN(C(=O)C(N)=O)C1 ZINC000969777855 656004522 /nfs/dbraw/zinc/00/45/22/656004522.db2.gz QLRJYDQIPAOEIU-SSDOTTSWSA-N 1 2 252.278 -2.009 20 0 CAADLO C[C@@H](NC(=O)[C@H]1CC(=O)N(C)C1)C1C[NH+](CC(N)=O)C1 ZINC000969789858 656004979 /nfs/dbraw/zinc/00/49/79/656004979.db2.gz SHCIAUGOJWHFAG-BDAKNGLRSA-N 1 2 282.344 -1.614 20 0 CAADLO C[C@@H](NC(=O)c1cc(=O)n(C)cn1)C1C[NH+](CC(N)=O)C1 ZINC000969875885 656005721 /nfs/dbraw/zinc/00/57/21/656005721.db2.gz DQFZASAIFHZPDA-MRVPVSSYSA-N 1 2 293.327 -1.684 20 0 CAADLO C[C@@H](NC(=O)[C@H]1CCN(C)C(=O)C1)C1C[NH+](CC(N)=O)C1 ZINC000969986768 656005967 /nfs/dbraw/zinc/00/59/67/656005967.db2.gz DXQXLWCZHOBBNB-ZJUUUORDSA-N 1 2 296.371 -1.223 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2COCCO2)C1 ZINC001006806017 656006626 /nfs/dbraw/zinc/00/66/26/656006626.db2.gz KHXZICPICFSHFQ-NXEZZACHSA-N 1 2 271.317 -1.532 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@@H](NC(=O)[C@H]2COCCO2)C1 ZINC001006806017 656006627 /nfs/dbraw/zinc/00/66/27/656006627.db2.gz KHXZICPICFSHFQ-NXEZZACHSA-N 1 2 271.317 -1.532 20 0 CAADLO C[C@@H](NC(=O)c1ccn(C)c(=O)c1)C1C[NH+](CC(N)=O)C1 ZINC000969991317 656006739 /nfs/dbraw/zinc/00/67/39/656006739.db2.gz YKWHYSLYCWAAMS-SECBINFHSA-N 1 2 292.339 -1.079 20 0 CAADLO Cc1noc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C(N)=O)n1 ZINC000961644131 656006858 /nfs/dbraw/zinc/00/68/58/656006858.db2.gz XKIXVQLTVSNNFO-QMSLJYSESA-N 1 2 265.273 -1.590 20 0 CAADLO Cc1noc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C(N)=O)n1 ZINC000961644131 656006861 /nfs/dbraw/zinc/00/68/61/656006861.db2.gz XKIXVQLTVSNNFO-QMSLJYSESA-N 1 2 265.273 -1.590 20 0 CAADLO C[C@@H](NC(=O)[C@@H]1CCC(=O)NC1)C1C[NH+](CC(N)=O)C1 ZINC000970021355 656006960 /nfs/dbraw/zinc/00/69/60/656006960.db2.gz STZHIXFPPFTNTM-RKDXNWHRSA-N 1 2 282.344 -1.566 20 0 CAADLO C[C@H](NC(=O)c1cncn1C)C1C[NH+](CC(N)=O)C1 ZINC000970077414 656007200 /nfs/dbraw/zinc/00/72/00/656007200.db2.gz UJFWQBTWKVGVCV-QMMMGPOBSA-N 1 2 265.317 -1.045 20 0 CAADLO Cn1nnc(CN[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C2)n1 ZINC000970097333 656007262 /nfs/dbraw/zinc/00/72/62/656007262.db2.gz AUAYLKWGUKBOJH-SECBINFHSA-N 1 2 290.331 -1.134 20 0 CAADLO C[C@@H](NC(=O)[C@H]1CCS(=O)(=O)C1)C1C[NH+](CCO)C1 ZINC000970089269 656007482 /nfs/dbraw/zinc/00/74/82/656007482.db2.gz CARUMCBJVLRYQU-ZJUUUORDSA-N 1 2 290.385 -1.150 20 0 CAADLO C[C@@H](NC(=O)c1cncn1C)C1C[NH+](CC(N)=O)C1 ZINC000970077412 656007540 /nfs/dbraw/zinc/00/75/40/656007540.db2.gz UJFWQBTWKVGVCV-MRVPVSSYSA-N 1 2 265.317 -1.045 20 0 CAADLO C[C@H](NC(=O)[C@@H]1CCS(=O)(=O)C1)C1C[NH+](CCO)C1 ZINC000970089268 656007714 /nfs/dbraw/zinc/00/77/14/656007714.db2.gz CARUMCBJVLRYQU-VHSXEESVSA-N 1 2 290.385 -1.150 20 0 CAADLO C[C@@H](NC(=O)[C@@H]1CCS(=O)(=O)C1)C1C[NH+](CCO)C1 ZINC000970089265 656007807 /nfs/dbraw/zinc/00/78/07/656007807.db2.gz CARUMCBJVLRYQU-NXEZZACHSA-N 1 2 290.385 -1.150 20 0 CAADLO O=C(N[C@H]1C[C@H]([NH2+][C@@H]2CCNC2=O)C1)c1nnc[nH]1 ZINC001020781748 656007927 /nfs/dbraw/zinc/00/79/27/656007927.db2.gz NAYZBRPRIZYYAS-BWZBUEFSSA-N 1 2 264.289 -1.456 20 0 CAADLO O=C(N[C@H]1C[C@H]([NH2+][C@@H]2CCNC2=O)C1)c1ncn[nH]1 ZINC001020781748 656007933 /nfs/dbraw/zinc/00/79/33/656007933.db2.gz NAYZBRPRIZYYAS-BWZBUEFSSA-N 1 2 264.289 -1.456 20 0 CAADLO O=C(N[C@H]1C[C@H]([NH2+][C@@H]2CCNC2=O)C1)c1nc[nH]n1 ZINC001020781748 656007937 /nfs/dbraw/zinc/00/79/37/656007937.db2.gz NAYZBRPRIZYYAS-BWZBUEFSSA-N 1 2 264.289 -1.456 20 0 CAADLO Cn1[nH]c(C[NH2+][C@H]2C[C@H](NC(=O)c3nnc[nH]3)C2)nc1=O ZINC001020781717 656008074 /nfs/dbraw/zinc/00/80/74/656008074.db2.gz MFPYXWAIXPNJSK-LJGSYFOKSA-N 1 2 292.303 -1.723 20 0 CAADLO Cn1[nH]c(C[NH2+][C@H]2C[C@H](NC(=O)c3ncn[nH]3)C2)nc1=O ZINC001020781717 656008076 /nfs/dbraw/zinc/00/80/76/656008076.db2.gz MFPYXWAIXPNJSK-LJGSYFOKSA-N 1 2 292.303 -1.723 20 0 CAADLO Cn1[nH]c(C[NH2+][C@H]2C[C@H](NC(=O)c3nc[nH]n3)C2)nc1=O ZINC001020781717 656008079 /nfs/dbraw/zinc/00/80/79/656008079.db2.gz MFPYXWAIXPNJSK-LJGSYFOKSA-N 1 2 292.303 -1.723 20 0 CAADLO O=C(N[C@H]1C[C@H]([NH2+][C@H]2CCNC2=O)C1)c1cnon1 ZINC001020785579 656008096 /nfs/dbraw/zinc/00/80/96/656008096.db2.gz FNPGNRLJJQCRSI-FXQIFTODSA-N 1 2 265.273 -1.192 20 0 CAADLO C[C@H]([NH2+][C@H]1C[C@H](NC(=O)c2cc(C(N)=O)c[nH]2)C1)C(N)=O ZINC001020826949 656008138 /nfs/dbraw/zinc/00/81/38/656008138.db2.gz FBOKQVSHBPATQK-XVYDVKMFSA-N 1 2 293.327 -1.162 20 0 CAADLO C[C@H](O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC000970119058 656008151 /nfs/dbraw/zinc/00/81/51/656008151.db2.gz NNAWZDKGOFXLQO-YIZRAAEISA-N 1 2 284.316 -1.844 20 0 CAADLO Cn1[nH]c(C[NH2+][C@H]2C[C@H](NC(=O)c3cnon3)C2)nc1=O ZINC001020785266 656008173 /nfs/dbraw/zinc/00/81/73/656008173.db2.gz AWTZDZBIQBQLPO-LJGSYFOKSA-N 1 2 293.287 -1.458 20 0 CAADLO CCn1cc(C(=O)N[C@H]2C[C@H]([NH2+]CC(N)=O)C2)nn1 ZINC001020841442 656008219 /nfs/dbraw/zinc/00/82/19/656008219.db2.gz JIMHUPPJOIWEOU-ZKCHVHJHSA-N 1 2 266.305 -1.366 20 0 CAADLO Cn1ncc(C[NH2+][C@H]2C[C@H](NC(=O)c3nnc[nH]3)C2)n1 ZINC001020777104 656008319 /nfs/dbraw/zinc/00/83/19/656008319.db2.gz QTBADYZIZNHQGX-ZKCHVHJHSA-N 1 2 276.304 -1.016 20 0 CAADLO Cn1ncc(C[NH2+][C@H]2C[C@H](NC(=O)c3ncn[nH]3)C2)n1 ZINC001020777104 656008321 /nfs/dbraw/zinc/00/83/21/656008321.db2.gz QTBADYZIZNHQGX-ZKCHVHJHSA-N 1 2 276.304 -1.016 20 0 CAADLO Cn1ncc(C[NH2+][C@H]2C[C@H](NC(=O)c3nc[nH]n3)C2)n1 ZINC001020777104 656008322 /nfs/dbraw/zinc/00/83/22/656008322.db2.gz QTBADYZIZNHQGX-ZKCHVHJHSA-N 1 2 276.304 -1.016 20 0 CAADLO O=C([C@@H]1CC(=O)NC(=O)N1)N1CC[C@@H]([NH2+]CCF)C1 ZINC000970119318 656008380 /nfs/dbraw/zinc/00/83/80/656008380.db2.gz SSMZGQGSVNOGNB-SFYZADRCSA-N 1 2 272.280 -1.256 20 0 CAADLO Cn1nnnc1C[NH2+][C@H]1C[C@H](NC(=O)Cc2nnc[nH]2)C1 ZINC001020904165 656009114 /nfs/dbraw/zinc/00/91/14/656009114.db2.gz PCCVEMPTPJNMKZ-ZKCHVHJHSA-N 1 2 291.319 -1.692 20 0 CAADLO O=C(Cn1cnnn1)N1CC[C@@H]([NH2+]Cc2nncs2)C1 ZINC000966891995 656009758 /nfs/dbraw/zinc/00/97/58/656009758.db2.gz ABVNQJVMVGQHCT-MRVPVSSYSA-N 1 2 294.344 -1.085 20 0 CAADLO C[C@H](NC(=O)c1cn(C)c(=O)cn1)C1C[NH+](CC(N)=O)C1 ZINC000970186015 656010199 /nfs/dbraw/zinc/01/01/99/656010199.db2.gz ZHMZWLNNLKWQTL-QMMMGPOBSA-N 1 2 293.327 -1.684 20 0 CAADLO C[C@@H](NC(=O)c1cn(C)c(=O)cn1)C1C[NH+](CC(N)=O)C1 ZINC000970186014 656010344 /nfs/dbraw/zinc/01/03/44/656010344.db2.gz ZHMZWLNNLKWQTL-MRVPVSSYSA-N 1 2 293.327 -1.684 20 0 CAADLO Cn1c[nH+]cc1CC(=O)N1C[C@@H](NC(=O)C(N)=O)[C@@H](O)C1 ZINC000970195378 656010811 /nfs/dbraw/zinc/01/08/11/656010811.db2.gz FQFXPHVOXDXSLQ-BDAKNGLRSA-N 1 2 295.299 -2.864 20 0 CAADLO Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](NC(=O)C(N)=O)[C@@H](O)C1 ZINC000970196253 656011350 /nfs/dbraw/zinc/01/13/50/656011350.db2.gz HVUSOVLBMMHWRH-BDAKNGLRSA-N 1 2 295.299 -2.566 20 0 CAADLO NC(=O)C(=O)N[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1O ZINC000970208464 656012195 /nfs/dbraw/zinc/01/21/95/656012195.db2.gz LNVHSIXZXDCUMI-SFYZADRCSA-N 1 2 281.272 -2.944 20 0 CAADLO Cn1nnc(CN[C@H]2C[C@H](NC(=O)Cn3cc[nH+]c3)C2)n1 ZINC001021126872 656013300 /nfs/dbraw/zinc/01/33/00/656013300.db2.gz ZWUYKFKHYBTUJN-MGCOHNPYSA-N 1 2 290.331 -1.156 20 0 CAADLO C[C@H](NC(=O)c1c[nH]c(=O)n1C)C1C[NH+](CC(N)=O)C1 ZINC000970273164 656013313 /nfs/dbraw/zinc/01/33/13/656013313.db2.gz GTXOVSDZSFYVMD-ZETCQYMHSA-N 1 2 281.316 -1.339 20 0 CAADLO C[C@H](NC(=O)[C@H]1CN(C)C(=O)N1)C1C[NH+](CC(N)=O)C1 ZINC000970269579 656013354 /nfs/dbraw/zinc/01/33/54/656013354.db2.gz ASPAXORHAMCXRU-IONNQARKSA-N 1 2 283.332 -2.068 20 0 CAADLO C[C@H](NC(=O)[C@@H]1CCC(=O)N1C)C1C[NH+](CC(N)=O)C1 ZINC000970275766 656013410 /nfs/dbraw/zinc/01/34/10/656013410.db2.gz AWTACIDALXWKHU-WPRPVWTQSA-N 1 2 282.344 -1.471 20 0 CAADLO C[C@H](NC(=O)c1nnn(C)n1)C1C[NH+]([C@@H](C)C(N)=O)C1 ZINC000970288901 656013997 /nfs/dbraw/zinc/01/39/97/656013997.db2.gz YXSTXLDVYMZYDZ-BQBZGAKWSA-N 1 2 281.320 -1.866 20 0 CAADLO C[C@H](C(N)=O)[NH+]1CC([C@H](C)NC(=O)c2nnn(C)n2)C1 ZINC000970288902 656014076 /nfs/dbraw/zinc/01/40/76/656014076.db2.gz YXSTXLDVYMZYDZ-NKWVEPMBSA-N 1 2 281.320 -1.866 20 0 CAADLO C[C@H](NC(=O)[C@H]1CCN(C)C1=O)C1C[NH+](CC(N)=O)C1 ZINC000970294081 656014126 /nfs/dbraw/zinc/01/41/26/656014126.db2.gz WOAVAJHOLOSFKE-WCBMZHEXSA-N 1 2 282.344 -1.614 20 0 CAADLO C[C@H](NC(=O)c1c[nH]c(=O)cn1)C1C[NH+](CC(N)=O)C1 ZINC000970338590 656014474 /nfs/dbraw/zinc/01/44/74/656014474.db2.gz FESVYUMXIDGJEG-ZETCQYMHSA-N 1 2 279.300 -1.695 20 0 CAADLO C[C@@H](NC(=O)[C@H]1CNC(=O)N1)C1C[NH+](CC(N)=O)C1 ZINC000970355883 656014710 /nfs/dbraw/zinc/01/47/10/656014710.db2.gz BKVAJFQTIYJVBN-HTRCEHHLSA-N 1 2 269.305 -2.410 20 0 CAADLO C[C@H](NC(=O)[C@@H]1CCCCC(=O)N1)C1C[NH+](CC(N)=O)C1 ZINC000970411822 656014982 /nfs/dbraw/zinc/01/49/82/656014982.db2.gz KHBLDDRSILULBL-ONGXEEELSA-N 1 2 296.371 -1.033 20 0 CAADLO C[C@@H](NC(=O)[C@H]1CC[C@@H](C(N)=O)O1)C1C[NH+](CC(N)=O)C1 ZINC000970420827 656015077 /nfs/dbraw/zinc/01/50/77/656015077.db2.gz SHFNFPWKGYULOB-FKTZTGRPSA-N 1 2 298.343 -2.059 20 0 CAADLO O=C(Cc1ncn[nH]1)N1CC[C@@H]([NH2+][C@H]2CCNC2=O)C1 ZINC000970446031 656015265 /nfs/dbraw/zinc/01/52/65/656015265.db2.gz SMVRWFREAUREFU-BDAKNGLRSA-N 1 2 278.316 -1.574 20 0 CAADLO O=C(Cc1ncn[nH]1)N1CC[C@@H]([NH2+][C@H]2CCCNC2=O)C1 ZINC000970445956 656015328 /nfs/dbraw/zinc/01/53/28/656015328.db2.gz QFDTZFZJKOSGKG-ZJUUUORDSA-N 1 2 292.343 -1.184 20 0 CAADLO C[C@@H](NC(=O)[C@H]1C[C@H]1C(N)=O)C1C[NH+](CC(N)=O)C1 ZINC000970431889 656015334 /nfs/dbraw/zinc/01/53/34/656015334.db2.gz UBVPVPKFWLIQSV-VDAHYXPESA-N 1 2 268.317 -1.970 20 0 CAADLO C[C@H](NC(=O)c1cc(C(N)=O)co1)C1C[NH+](CC(N)=O)C1 ZINC000970408074 656015393 /nfs/dbraw/zinc/01/53/93/656015393.db2.gz UAFGFPJRHXJLCX-ZETCQYMHSA-N 1 2 294.311 -1.086 20 0 CAADLO C[C@@H]([NH2+][C@@H]1CCN(C(=O)Cc2ncn[nH]2)C1)C(N)=O ZINC000970445803 656015402 /nfs/dbraw/zinc/01/54/02/656015402.db2.gz MOBPKMHJAVQQJE-HTQZYQBOSA-N 1 2 266.305 -1.589 20 0 CAADLO C[C@H](NC(=O)[C@H]1CC[C@@H](C(N)=O)C1)C1C[NH+](CC(N)=O)C1 ZINC000970434032 656015420 /nfs/dbraw/zinc/01/54/20/656015420.db2.gz OOEPYGFLIKTYRS-AEJSXWLSSA-N 1 2 296.371 -1.190 20 0 CAADLO C[C@@H](NC(=O)c1cc(C(N)=O)co1)C1C[NH+](CC(N)=O)C1 ZINC000970408073 656015440 /nfs/dbraw/zinc/01/54/40/656015440.db2.gz UAFGFPJRHXJLCX-SSDOTTSWSA-N 1 2 294.311 -1.086 20 0 CAADLO C[C@@H](NC(=O)c1cnn(C)n1)C1C[NH+]([C@H](C)C(N)=O)C1 ZINC000970582384 656016379 /nfs/dbraw/zinc/01/63/79/656016379.db2.gz FXNYVLYEFHFAOH-HTQZYQBOSA-N 1 2 280.332 -1.261 20 0 CAADLO C[C@@H](NC(=O)c1cnon1)C1C[NH+](CC(N)=O)C1 ZINC000970620137 656017056 /nfs/dbraw/zinc/01/70/56/656017056.db2.gz RRZLIXMURXYEHI-ZCFIWIBFSA-N 1 2 253.262 -1.395 20 0 CAADLO C[C@H](NC(=O)c1cnon1)C1C[NH+](CC(N)=O)C1 ZINC000970620135 656017110 /nfs/dbraw/zinc/01/71/10/656017110.db2.gz RRZLIXMURXYEHI-LURJTMIESA-N 1 2 253.262 -1.395 20 0 CAADLO C[C@H](C(N)=O)[NH+]1CC([C@H](C)NC(=O)c2cnon2)C1 ZINC000970620199 656017232 /nfs/dbraw/zinc/01/72/32/656017232.db2.gz SRZCEIXZLUWLKU-NKWVEPMBSA-N 1 2 267.289 -1.007 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)CC2OCCCO2)C1 ZINC001010747574 656017653 /nfs/dbraw/zinc/01/76/53/656017653.db2.gz JRNSCQQTGFEFQL-VIFPVBQESA-N 1 2 271.317 -1.185 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)CC2OCCCO2)C1 ZINC001010747574 656017655 /nfs/dbraw/zinc/01/76/55/656017655.db2.gz JRNSCQQTGFEFQL-VIFPVBQESA-N 1 2 271.317 -1.185 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)C2CN(C(C)=O)C2)C1 ZINC001010753922 656017988 /nfs/dbraw/zinc/01/79/88/656017988.db2.gz NVSDKXURPWBERH-NSHDSACASA-N 1 2 282.344 -1.599 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)C2CN(C(C)=O)C2)C1 ZINC001010753922 656017990 /nfs/dbraw/zinc/01/79/90/656017990.db2.gz NVSDKXURPWBERH-NSHDSACASA-N 1 2 282.344 -1.599 20 0 CAADLO C[C@@H](NC(=O)[C@@H]1CCC(=O)N1)C1C[NH+](CC(N)=O)C1 ZINC000970765030 656018164 /nfs/dbraw/zinc/01/81/64/656018164.db2.gz YSVSZWWCEXPRTO-APPZFPTMSA-N 1 2 268.317 -1.813 20 0 CAADLO NC(=O)CC(=O)N1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001010786565 656018593 /nfs/dbraw/zinc/01/85/93/656018593.db2.gz BJVNJFMPYPKPIS-UHFFFAOYSA-N 1 2 279.300 -1.502 20 0 CAADLO C[C@@H](NC(=O)c1cccn(C)c1=O)C1C[NH+](CC(N)=O)C1 ZINC000970758058 656018617 /nfs/dbraw/zinc/01/86/17/656018617.db2.gz VYPZJPHPJKXSFD-SECBINFHSA-N 1 2 292.339 -1.079 20 0 CAADLO C[C@H](NC(=O)[C@@H]1CCC(=O)N1)C1C[NH+](CC(N)=O)C1 ZINC000970765032 656018619 /nfs/dbraw/zinc/01/86/19/656018619.db2.gz YSVSZWWCEXPRTO-CBAPKCEASA-N 1 2 268.317 -1.813 20 0 CAADLO C[C@@H](NC(=O)c1ccc(=O)n(C)n1)C1C[NH+](CC(N)=O)C1 ZINC000970846060 656018859 /nfs/dbraw/zinc/01/88/59/656018859.db2.gz PLHYYBLCHIKULF-MRVPVSSYSA-N 1 2 293.327 -1.684 20 0 CAADLO C[C@@H](NC(=O)[C@@H]1CCC(=O)N(C)C1)C1C[NH+](CC(N)=O)C1 ZINC000970931153 656019523 /nfs/dbraw/zinc/01/95/23/656019523.db2.gz JZMJITVZHKHOFE-NXEZZACHSA-N 1 2 296.371 -1.223 20 0 CAADLO C[C@H](NC(=O)c1cn(CC(N)=O)nn1)C1C[NH+](CCF)C1 ZINC000970926127 656019657 /nfs/dbraw/zinc/01/96/57/656019657.db2.gz VBKNOCMUHGMECC-QMMMGPOBSA-N 1 2 298.322 -1.217 20 0 CAADLO C[C@H](NC(=O)[C@@H]1CCCS1(=O)=O)C1C[NH+](CCO)C1 ZINC000970910166 656019860 /nfs/dbraw/zinc/01/98/60/656019860.db2.gz KVMANTSFSWUBMZ-ONGXEEELSA-N 1 2 290.385 -1.008 20 0 CAADLO C[C@@H](NC(=O)c1cn(CC(N)=O)nn1)C1C[NH+](CCF)C1 ZINC000970926121 656019967 /nfs/dbraw/zinc/01/99/67/656019967.db2.gz VBKNOCMUHGMECC-MRVPVSSYSA-N 1 2 298.322 -1.217 20 0 CAADLO Cn1cc(C(=O)N[C@H]2CC[N@@H+]([C@@H]3CCNC3=O)C2)nn1 ZINC001010847712 656020128 /nfs/dbraw/zinc/02/01/28/656020128.db2.gz BTKVNICTNGBEQX-WCBMZHEXSA-N 1 2 278.316 -1.492 20 0 CAADLO Cn1cc(C(=O)N[C@H]2CC[N@H+]([C@@H]3CCNC3=O)C2)nn1 ZINC001010847712 656020130 /nfs/dbraw/zinc/02/01/30/656020130.db2.gz BTKVNICTNGBEQX-WCBMZHEXSA-N 1 2 278.316 -1.492 20 0 CAADLO NC(=O)C(=O)N1C[C@@H](NC(=O)Cc2c[nH]c[nH+]2)[C@@H](O)C1 ZINC000970957146 656020173 /nfs/dbraw/zinc/02/01/73/656020173.db2.gz RMCDOPYTKREFLE-SFYZADRCSA-N 1 2 281.272 -2.875 20 0 CAADLO C[C@@H](NC(=O)[C@H]1CCC(=O)N(C)C1)C1C[NH+](CC(N)=O)C1 ZINC000970931156 656020346 /nfs/dbraw/zinc/02/03/46/656020346.db2.gz JZMJITVZHKHOFE-ZJUUUORDSA-N 1 2 296.371 -1.223 20 0 CAADLO Cn1cc(C(=O)N[C@H]2CC[N@@H+]([C@H]3CCNC3=O)C2)nn1 ZINC001010847721 656020566 /nfs/dbraw/zinc/02/05/66/656020566.db2.gz BTKVNICTNGBEQX-WPRPVWTQSA-N 1 2 278.316 -1.492 20 0 CAADLO Cn1cc(C(=O)N[C@H]2CC[N@H+]([C@H]3CCNC3=O)C2)nn1 ZINC001010847721 656020568 /nfs/dbraw/zinc/02/05/68/656020568.db2.gz BTKVNICTNGBEQX-WPRPVWTQSA-N 1 2 278.316 -1.492 20 0 CAADLO C[C@H](NC(=O)[C@H]1CCC(=O)N(C)C1)C1C[NH+](CC(N)=O)C1 ZINC000970931154 656020588 /nfs/dbraw/zinc/02/05/88/656020588.db2.gz JZMJITVZHKHOFE-UWVGGRQHSA-N 1 2 296.371 -1.223 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+]1CC[C@H](NC(=O)c2cn(C)nn2)C1 ZINC001010858132 656020630 /nfs/dbraw/zinc/02/06/30/656020630.db2.gz AKDNOVXFCDKGDY-BDAKNGLRSA-N 1 2 280.332 -1.246 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+]1CC[C@H](NC(=O)c2cn(C)nn2)C1 ZINC001010858132 656020633 /nfs/dbraw/zinc/02/06/33/656020633.db2.gz AKDNOVXFCDKGDY-BDAKNGLRSA-N 1 2 280.332 -1.246 20 0 CAADLO CCN1OC[C@H]([N@@H+]2CC[C@H](CS(N)(=O)=O)C2)C1=O ZINC000932948993 656020938 /nfs/dbraw/zinc/02/09/38/656020938.db2.gz KRBAWEJAGSPDRH-IUCAKERBSA-N 1 2 277.346 -1.241 20 0 CAADLO CCN1OC[C@H]([N@H+]2CC[C@H](CS(N)(=O)=O)C2)C1=O ZINC000932948993 656020940 /nfs/dbraw/zinc/02/09/40/656020940.db2.gz KRBAWEJAGSPDRH-IUCAKERBSA-N 1 2 277.346 -1.241 20 0 CAADLO Cn1cnc(C(=O)N[C@@H]2CC[N@@H+]([C@H]3CCN(C)C3=O)C2)n1 ZINC001010880326 656021027 /nfs/dbraw/zinc/02/10/27/656021027.db2.gz IZSDHKCPFGZDFO-ZJUUUORDSA-N 1 2 292.343 -1.150 20 0 CAADLO Cn1cnc(C(=O)N[C@@H]2CC[N@H+]([C@H]3CCN(C)C3=O)C2)n1 ZINC001010880326 656021030 /nfs/dbraw/zinc/02/10/30/656021030.db2.gz IZSDHKCPFGZDFO-ZJUUUORDSA-N 1 2 292.343 -1.150 20 0 CAADLO CCN1OC[C@H]([N@@H+]2CC[C@@H](CS(N)(=O)=O)C2)C1=O ZINC000932948973 656021091 /nfs/dbraw/zinc/02/10/91/656021091.db2.gz KRBAWEJAGSPDRH-BDAKNGLRSA-N 1 2 277.346 -1.241 20 0 CAADLO CCN1OC[C@H]([N@H+]2CC[C@@H](CS(N)(=O)=O)C2)C1=O ZINC000932948973 656021094 /nfs/dbraw/zinc/02/10/94/656021094.db2.gz KRBAWEJAGSPDRH-BDAKNGLRSA-N 1 2 277.346 -1.241 20 0 CAADLO CCN1OC[C@@H]([N@@H+]2CC[C@H](CS(N)(=O)=O)C2)C1=O ZINC000932948984 656021112 /nfs/dbraw/zinc/02/11/12/656021112.db2.gz KRBAWEJAGSPDRH-DTWKUNHWSA-N 1 2 277.346 -1.241 20 0 CAADLO CCN1OC[C@@H]([N@H+]2CC[C@H](CS(N)(=O)=O)C2)C1=O ZINC000932948984 656021114 /nfs/dbraw/zinc/02/11/14/656021114.db2.gz KRBAWEJAGSPDRH-DTWKUNHWSA-N 1 2 277.346 -1.241 20 0 CAADLO Cn1nnc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3CCC(=O)N3)C2)n1 ZINC001021898997 656023582 /nfs/dbraw/zinc/02/35/82/656023582.db2.gz FRWDABNOVDUKMJ-HRDYMLBCSA-N 1 2 293.331 -1.775 20 0 CAADLO Cn1nnc(C[NH2+][C@H]2C[C@@H](NC(=O)c3cn[nH]c3)C2)n1 ZINC001021863777 656023605 /nfs/dbraw/zinc/02/36/05/656023605.db2.gz RZLSLFBTHNYING-DTORHVGOSA-N 1 2 276.304 -1.016 20 0 CAADLO Cn1nnc(C[NH2+][C@H]2C[C@@H](NC(=O)c3ccnn3C)C2)n1 ZINC001021885643 656024013 /nfs/dbraw/zinc/02/40/13/656024013.db2.gz AFUVQYLBWZTETH-DTORHVGOSA-N 1 2 290.331 -1.006 20 0 CAADLO Cn1nnc(C[NH2+][C@H]2C[C@@H](NC(=O)Cn3nccn3)C2)n1 ZINC001022141074 656026507 /nfs/dbraw/zinc/02/65/07/656026507.db2.gz BHJFFVGHXGBABJ-DTORHVGOSA-N 1 2 291.319 -1.761 20 0 CAADLO C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)c2cn[nH]n2)C1)c1nnnn1C ZINC001022354134 656028329 /nfs/dbraw/zinc/02/83/29/656028329.db2.gz FFYZBGPDYMFPDZ-BIIVOSGPSA-N 1 2 291.319 -1.060 20 0 CAADLO C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)c2cnn[nH]2)C1)c1nnnn1C ZINC001022354134 656028334 /nfs/dbraw/zinc/02/83/34/656028334.db2.gz FFYZBGPDYMFPDZ-BIIVOSGPSA-N 1 2 291.319 -1.060 20 0 CAADLO Cn1cc(S(=O)(=O)NCC[N@@H+]2CC[C@@H]2CO)cn1 ZINC000934026449 656029715 /nfs/dbraw/zinc/02/97/15/656029715.db2.gz MZWFKCXVWLRUKJ-SECBINFHSA-N 1 2 274.346 -1.235 20 0 CAADLO Cn1cc(S(=O)(=O)NCC[N@H+]2CC[C@@H]2CO)cn1 ZINC000934026449 656029719 /nfs/dbraw/zinc/02/97/19/656029719.db2.gz MZWFKCXVWLRUKJ-SECBINFHSA-N 1 2 274.346 -1.235 20 0 CAADLO Cc1nn[nH]c1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2nnn(C)n2)C1 ZINC001022527069 656029809 /nfs/dbraw/zinc/02/98/09/656029809.db2.gz MWTHKCCJQFCJAA-OCAPTIKFSA-N 1 2 291.319 -1.313 20 0 CAADLO NC(=O)C(=O)N1CC[C@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]21 ZINC001022552946 656030863 /nfs/dbraw/zinc/03/08/63/656030863.db2.gz ZPYLBBPHGXKYLJ-DTWKUNHWSA-N 1 2 291.311 -1.503 20 0 CAADLO COCCc1nc(C[NH2+][C@H]2C[C@@H](NC(=O)C(N)=O)C2)no1 ZINC001022636485 656032934 /nfs/dbraw/zinc/03/29/34/656032934.db2.gz WXTGWNKJAMMBHI-OCAPTIKFSA-N 1 2 297.315 -1.519 20 0 CAADLO NC(=O)C(=O)N1C[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001022842280 656035611 /nfs/dbraw/zinc/03/56/11/656035611.db2.gz GVRILYSQOYKIHK-WCBMZHEXSA-N 1 2 291.311 -1.503 20 0 CAADLO CCC(=O)N[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1O ZINC001022851132 656036003 /nfs/dbraw/zinc/03/60/03/656036003.db2.gz XSBLBWZUCIHPBT-NXEZZACHSA-N 1 2 266.301 -1.019 20 0 CAADLO CC(=O)N[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1O ZINC001022858429 656038039 /nfs/dbraw/zinc/03/80/39/656038039.db2.gz CORWZBQKMXGTMP-NXEZZACHSA-N 1 2 252.274 -1.409 20 0 CAADLO O=C(Cn1cc[nH+]c1)N1C[C@@H](O)[C@H](NC(=O)C(F)F)C1 ZINC001022860764 656038127 /nfs/dbraw/zinc/03/81/27/656038127.db2.gz GHBUIZMBEODGBW-HTQZYQBOSA-N 1 2 288.254 -1.164 20 0 CAADLO O=C(Cc1c[nH+]c[nH]1)N1C[C@@H](O)[C@H](NC(=O)C(F)F)C1 ZINC001022863182 656038517 /nfs/dbraw/zinc/03/85/17/656038517.db2.gz HCPYJBADSDLAMT-HTQZYQBOSA-N 1 2 288.254 -1.095 20 0 CAADLO O=C(Cn1cc[nH+]c1)N1C[C@@H](O)[C@H](NC(=O)C2CC2)C1 ZINC001022869515 656039298 /nfs/dbraw/zinc/03/92/98/656039298.db2.gz HFEDLJCJVNPTDD-GHMZBOCLSA-N 1 2 278.312 -1.019 20 0 CAADLO Cn1cnnc1C[NH2+][C@H]1C[C@@H](NC(=O)c2ncn[nH]2)C1 ZINC001022869025 656039308 /nfs/dbraw/zinc/03/93/08/656039308.db2.gz IHTHUKXUYCIYCB-OCAPTIKFSA-N 1 2 276.304 -1.016 20 0 CAADLO Cn1cnnc1C[NH2+][C@H]1C[C@@H](NC(=O)c2nc[nH]n2)C1 ZINC001022869025 656039310 /nfs/dbraw/zinc/03/93/10/656039310.db2.gz IHTHUKXUYCIYCB-OCAPTIKFSA-N 1 2 276.304 -1.016 20 0 CAADLO Cn1[nH]c(C[NH2+][C@H]2C[C@@H](NC(=O)c3nnc[nH]3)C2)nc1=O ZINC001022869119 656039443 /nfs/dbraw/zinc/03/94/43/656039443.db2.gz MFPYXWAIXPNJSK-KNVOCYPGSA-N 1 2 292.303 -1.723 20 0 CAADLO Cn1[nH]c(C[NH2+][C@H]2C[C@@H](NC(=O)c3ncn[nH]3)C2)nc1=O ZINC001022869119 656039445 /nfs/dbraw/zinc/03/94/45/656039445.db2.gz MFPYXWAIXPNJSK-KNVOCYPGSA-N 1 2 292.303 -1.723 20 0 CAADLO Cn1[nH]c(C[NH2+][C@H]2C[C@@H](NC(=O)c3nc[nH]n3)C2)nc1=O ZINC001022869119 656039446 /nfs/dbraw/zinc/03/94/46/656039446.db2.gz MFPYXWAIXPNJSK-KNVOCYPGSA-N 1 2 292.303 -1.723 20 0 CAADLO Cn1cc(C[NH2+][C@H]2C[C@@H](NC(=O)Cc3nnc[nH]3)C2)nn1 ZINC001022956254 656040199 /nfs/dbraw/zinc/04/01/99/656040199.db2.gz XYLHLXPMFRHSGT-DTORHVGOSA-N 1 2 290.331 -1.087 20 0 CAADLO Cn1ncc(C[NH2+][C@H]2C[C@@H](NC(=O)Cc3nnc[nH]3)C2)n1 ZINC001022953547 656040475 /nfs/dbraw/zinc/04/04/75/656040475.db2.gz UJIIKQPGIIJVNK-DTORHVGOSA-N 1 2 290.331 -1.087 20 0 CAADLO Cn1nnc(C[NH2+][C@H]2C[C@@H](NC(=O)Cn3cncn3)C2)n1 ZINC001023059715 656041731 /nfs/dbraw/zinc/04/17/31/656041731.db2.gz PMJQZAMAGCGBTO-DTORHVGOSA-N 1 2 291.319 -1.761 20 0 CAADLO Cn1nnc(C(=O)N2CC[C@]3(C2)C[N@H+](CCO)CCO3)n1 ZINC000972512486 656042879 /nfs/dbraw/zinc/04/28/79/656042879.db2.gz WLNYTPAFTQAJSG-GFCCVEGCSA-N 1 2 296.331 -1.881 20 0 CAADLO Cn1nnc(C(=O)N2CC[C@]3(C2)C[N@@H+](CCO)CCO3)n1 ZINC000972512486 656042881 /nfs/dbraw/zinc/04/28/81/656042881.db2.gz WLNYTPAFTQAJSG-GFCCVEGCSA-N 1 2 296.331 -1.881 20 0 CAADLO CCn1cc(CC(=O)NC[C@@H]2C[NH+]3CCN2CC3)nn1 ZINC000935018599 656044178 /nfs/dbraw/zinc/04/41/78/656044178.db2.gz YSDLUUWDPGCQJY-GFCCVEGCSA-N 1 2 278.360 -1.044 20 0 CAADLO CNC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)c2cn[nH]n2)C1 ZINC001023457443 656046286 /nfs/dbraw/zinc/04/62/86/656046286.db2.gz PMUYMCWTQBMOKG-VIFPVBQESA-N 1 2 280.332 -1.008 20 0 CAADLO CNC(=O)C[N@H+]1CCC[C@@H](CNC(=O)c2cn[nH]n2)C1 ZINC001023457443 656046292 /nfs/dbraw/zinc/04/62/92/656046292.db2.gz PMUYMCWTQBMOKG-VIFPVBQESA-N 1 2 280.332 -1.008 20 0 CAADLO CNC(=O)C[N@H+]1CCC[C@@H](CNC(=O)c2cnn[nH]2)C1 ZINC001023457443 656046298 /nfs/dbraw/zinc/04/62/98/656046298.db2.gz PMUYMCWTQBMOKG-VIFPVBQESA-N 1 2 280.332 -1.008 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@H](CNC(=O)c2cn[nH]n2)C1 ZINC001023457404 656046460 /nfs/dbraw/zinc/04/64/60/656046460.db2.gz OQXXYWHKOQGZLM-MRVPVSSYSA-N 1 2 266.305 -1.268 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@H](CNC(=O)c2cn[nH]n2)C1 ZINC001023457404 656046463 /nfs/dbraw/zinc/04/64/63/656046463.db2.gz OQXXYWHKOQGZLM-MRVPVSSYSA-N 1 2 266.305 -1.268 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@H](CNC(=O)c2cnn[nH]2)C1 ZINC001023457404 656046465 /nfs/dbraw/zinc/04/64/65/656046465.db2.gz OQXXYWHKOQGZLM-MRVPVSSYSA-N 1 2 266.305 -1.268 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@H](CNC(=O)c2cnn[nH]2)C1 ZINC001023457404 656046466 /nfs/dbraw/zinc/04/64/66/656046466.db2.gz OQXXYWHKOQGZLM-MRVPVSSYSA-N 1 2 266.305 -1.268 20 0 CAADLO O=C(c1cnon1)N1CC[C@@]2(C1)C[N@H+](CCO)CCO2 ZINC000972609334 656048533 /nfs/dbraw/zinc/04/85/33/656048533.db2.gz PUBUSDPMRMWAMU-LBPRGKRZSA-N 1 2 282.300 -1.021 20 0 CAADLO O=C(c1cnon1)N1CC[C@@]2(C1)C[N@@H+](CCO)CCO2 ZINC000972609334 656048537 /nfs/dbraw/zinc/04/85/37/656048537.db2.gz PUBUSDPMRMWAMU-LBPRGKRZSA-N 1 2 282.300 -1.021 20 0 CAADLO CNC(=O)C[N@@H+]1CCC[C@H](CNC(=O)c2ncn[nH]2)C1 ZINC001023656537 656049111 /nfs/dbraw/zinc/04/91/11/656049111.db2.gz ZQPRNULTPRHCHL-SECBINFHSA-N 1 2 280.332 -1.008 20 0 CAADLO CNC(=O)C[N@H+]1CCC[C@H](CNC(=O)c2ncn[nH]2)C1 ZINC001023656537 656049112 /nfs/dbraw/zinc/04/91/12/656049112.db2.gz ZQPRNULTPRHCHL-SECBINFHSA-N 1 2 280.332 -1.008 20 0 CAADLO CNC(=O)C[N@@H+]1CCC[C@H](CNC(=O)c2nc[nH]n2)C1 ZINC001023656537 656049113 /nfs/dbraw/zinc/04/91/13/656049113.db2.gz ZQPRNULTPRHCHL-SECBINFHSA-N 1 2 280.332 -1.008 20 0 CAADLO CNC(=O)C[N@H+]1CCC[C@H](CNC(=O)c2nc[nH]n2)C1 ZINC001023656537 656049115 /nfs/dbraw/zinc/04/91/15/656049115.db2.gz ZQPRNULTPRHCHL-SECBINFHSA-N 1 2 280.332 -1.008 20 0 CAADLO NC(=O)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCC(=O)N1 ZINC001024364188 656051720 /nfs/dbraw/zinc/05/17/20/656051720.db2.gz NZENDFCOLCEXAT-VHSXEESVSA-N 1 2 282.344 -1.279 20 0 CAADLO NC(=O)C[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCC(=O)N1 ZINC001024364188 656051722 /nfs/dbraw/zinc/05/17/22/656051722.db2.gz NZENDFCOLCEXAT-VHSXEESVSA-N 1 2 282.344 -1.279 20 0 CAADLO NC(=O)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1COCCO1 ZINC001024339861 656051771 /nfs/dbraw/zinc/05/17/71/656051771.db2.gz QZBJWAZWLYSHCM-QWRGUYRKSA-N 1 2 285.344 -1.142 20 0 CAADLO NC(=O)C[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1COCCO1 ZINC001024339861 656051772 /nfs/dbraw/zinc/05/17/72/656051772.db2.gz QZBJWAZWLYSHCM-QWRGUYRKSA-N 1 2 285.344 -1.142 20 0 CAADLO COCC(=O)N1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001024411688 656052066 /nfs/dbraw/zinc/05/20/66/656052066.db2.gz RTCULVILBAFJEE-NXEZZACHSA-N 1 2 282.300 -1.783 20 0 CAADLO Cn1cnc(C(=O)NC[C@H]2CCCC[N@@H+]2CC(N)=O)n1 ZINC001024425535 656052070 /nfs/dbraw/zinc/05/20/70/656052070.db2.gz DAMQRORULALDKN-SECBINFHSA-N 1 2 280.332 -1.115 20 0 CAADLO Cn1cnc(C(=O)NC[C@H]2CCCC[N@H+]2CC(N)=O)n1 ZINC001024425535 656052072 /nfs/dbraw/zinc/05/20/72/656052072.db2.gz DAMQRORULALDKN-SECBINFHSA-N 1 2 280.332 -1.115 20 0 CAADLO CN1CCOC[C@@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1CC(N)=O ZINC001024401883 656052087 /nfs/dbraw/zinc/05/20/87/656052087.db2.gz KFUAXOMWZRBLCE-NWDGAFQWSA-N 1 2 298.387 -1.227 20 0 CAADLO CN1CCOC[C@@H]1C(=O)NC[C@@H]1CCCC[N@H+]1CC(N)=O ZINC001024401883 656052088 /nfs/dbraw/zinc/05/20/88/656052088.db2.gz KFUAXOMWZRBLCE-NWDGAFQWSA-N 1 2 298.387 -1.227 20 0 CAADLO CN1C[C@@H](C(=O)NC[C@H]2CCCC[N@@H+]2CC(N)=O)CC1=O ZINC001024467447 656052166 /nfs/dbraw/zinc/05/21/66/656052166.db2.gz DUIIJLZZIOXFFW-WDEREUQCSA-N 1 2 296.371 -1.079 20 0 CAADLO CN1C[C@@H](C(=O)NC[C@H]2CCCC[N@H+]2CC(N)=O)CC1=O ZINC001024467447 656052168 /nfs/dbraw/zinc/05/21/68/656052168.db2.gz DUIIJLZZIOXFFW-WDEREUQCSA-N 1 2 296.371 -1.079 20 0 CAADLO Cn1cnc(C(=O)NC[C@@H]2CCCC[N@@H+]2CC(N)=O)n1 ZINC001024425536 656052187 /nfs/dbraw/zinc/05/21/87/656052187.db2.gz DAMQRORULALDKN-VIFPVBQESA-N 1 2 280.332 -1.115 20 0 CAADLO Cn1cnc(C(=O)NC[C@@H]2CCCC[N@H+]2CC(N)=O)n1 ZINC001024425536 656052188 /nfs/dbraw/zinc/05/21/88/656052188.db2.gz DAMQRORULALDKN-VIFPVBQESA-N 1 2 280.332 -1.115 20 0 CAADLO CN1CCOC[C@@H]1C(=O)NC[C@H]1CCCC[N@@H+]1CC(N)=O ZINC001024401885 656052354 /nfs/dbraw/zinc/05/23/54/656052354.db2.gz KFUAXOMWZRBLCE-VXGBXAGGSA-N 1 2 298.387 -1.227 20 0 CAADLO CN1CCOC[C@@H]1C(=O)NC[C@H]1CCCC[N@H+]1CC(N)=O ZINC001024401885 656052357 /nfs/dbraw/zinc/05/23/57/656052357.db2.gz KFUAXOMWZRBLCE-VXGBXAGGSA-N 1 2 298.387 -1.227 20 0 CAADLO CN1CCOC[C@H]1C(=O)NC[C@H]1CCCC[N@@H+]1CC(N)=O ZINC001024401882 656052381 /nfs/dbraw/zinc/05/23/81/656052381.db2.gz KFUAXOMWZRBLCE-NEPJUHHUSA-N 1 2 298.387 -1.227 20 0 CAADLO CN1CCOC[C@H]1C(=O)NC[C@H]1CCCC[N@H+]1CC(N)=O ZINC001024401882 656052384 /nfs/dbraw/zinc/05/23/84/656052384.db2.gz KFUAXOMWZRBLCE-NEPJUHHUSA-N 1 2 298.387 -1.227 20 0 CAADLO CCC(=O)N1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001024414030 656052559 /nfs/dbraw/zinc/05/25/59/656052559.db2.gz ZHQYZYBIZXRRRR-NXEZZACHSA-N 1 2 266.301 -1.019 20 0 CAADLO NC(=O)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCNC1=O ZINC001024596320 656053572 /nfs/dbraw/zinc/05/35/72/656053572.db2.gz POJIXSNJINMBOH-ZJUUUORDSA-N 1 2 282.344 -1.422 20 0 CAADLO NC(=O)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCNC1=O ZINC001024596320 656053574 /nfs/dbraw/zinc/05/35/74/656053574.db2.gz POJIXSNJINMBOH-ZJUUUORDSA-N 1 2 282.344 -1.422 20 0 CAADLO NC(=O)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCNC1=O ZINC001024596318 656053621 /nfs/dbraw/zinc/05/36/21/656053621.db2.gz POJIXSNJINMBOH-UWVGGRQHSA-N 1 2 282.344 -1.422 20 0 CAADLO NC(=O)C[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCNC1=O ZINC001024596318 656053624 /nfs/dbraw/zinc/05/36/24/656053624.db2.gz POJIXSNJINMBOH-UWVGGRQHSA-N 1 2 282.344 -1.422 20 0 CAADLO CN1C[C@@H](C(=O)NC[C@@H]2CCCC[N@@H+]2CC(N)=O)NC1=O ZINC001024595084 656053765 /nfs/dbraw/zinc/05/37/65/656053765.db2.gz FMNZPMGSLVKSSZ-UWVGGRQHSA-N 1 2 297.359 -1.534 20 0 CAADLO CN1C[C@@H](C(=O)NC[C@@H]2CCCC[N@H+]2CC(N)=O)NC1=O ZINC001024595084 656053767 /nfs/dbraw/zinc/05/37/67/656053767.db2.gz FMNZPMGSLVKSSZ-UWVGGRQHSA-N 1 2 297.359 -1.534 20 0 CAADLO CN1C[C@H](C(=O)NC[C@H]2CCCC[N@@H+]2CC(N)=O)NC1=O ZINC001024595083 656053812 /nfs/dbraw/zinc/05/38/12/656053812.db2.gz FMNZPMGSLVKSSZ-NXEZZACHSA-N 1 2 297.359 -1.534 20 0 CAADLO CN1C[C@H](C(=O)NC[C@H]2CCCC[N@H+]2CC(N)=O)NC1=O ZINC001024595083 656053815 /nfs/dbraw/zinc/05/38/15/656053815.db2.gz FMNZPMGSLVKSSZ-NXEZZACHSA-N 1 2 297.359 -1.534 20 0 CAADLO Cn1nnc(C(=O)NC[C@H]2CCCC[N@@H+]2CC(N)=O)n1 ZINC001024607572 656054162 /nfs/dbraw/zinc/05/41/62/656054162.db2.gz FIAUVDXJEUKMPC-MRVPVSSYSA-N 1 2 281.320 -1.720 20 0 CAADLO Cn1nnc(C(=O)NC[C@H]2CCCC[N@H+]2CC(N)=O)n1 ZINC001024607572 656054164 /nfs/dbraw/zinc/05/41/64/656054164.db2.gz FIAUVDXJEUKMPC-MRVPVSSYSA-N 1 2 281.320 -1.720 20 0 CAADLO NC(=O)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1c[nH]c(=O)cn1 ZINC001024623875 656054241 /nfs/dbraw/zinc/05/42/41/656054241.db2.gz JIEPWISRNXMBPA-SECBINFHSA-N 1 2 293.327 -1.161 20 0 CAADLO NC(=O)C[N@H+]1CCCC[C@@H]1CNC(=O)c1c[nH]c(=O)cn1 ZINC001024623875 656054243 /nfs/dbraw/zinc/05/42/43/656054243.db2.gz JIEPWISRNXMBPA-SECBINFHSA-N 1 2 293.327 -1.161 20 0 CAADLO Cn1nnc(C(=O)NC[C@@H]2CCCC[N@@H+]2CC(N)=O)n1 ZINC001024607573 656054321 /nfs/dbraw/zinc/05/43/21/656054321.db2.gz FIAUVDXJEUKMPC-QMMMGPOBSA-N 1 2 281.320 -1.720 20 0 CAADLO Cn1nnc(C(=O)NC[C@@H]2CCCC[N@H+]2CC(N)=O)n1 ZINC001024607573 656054323 /nfs/dbraw/zinc/05/43/23/656054323.db2.gz FIAUVDXJEUKMPC-QMMMGPOBSA-N 1 2 281.320 -1.720 20 0 CAADLO CN(C[C@H](O)C[NH+]1CCOCC1)[C@@H]1CCOC1=O ZINC000177356175 656054540 /nfs/dbraw/zinc/05/45/40/656054540.db2.gz YPVVMWDYJDWCEM-WDEREUQCSA-N 1 2 258.318 -1.073 20 0 CAADLO CNC(=O)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1nnn(C)n1 ZINC001024608190 656054555 /nfs/dbraw/zinc/05/45/55/656054555.db2.gz NOBSUZOWROXEFM-SECBINFHSA-N 1 2 295.347 -1.460 20 0 CAADLO CNC(=O)C[N@H+]1CCCC[C@@H]1CNC(=O)c1nnn(C)n1 ZINC001024608190 656054559 /nfs/dbraw/zinc/05/45/59/656054559.db2.gz NOBSUZOWROXEFM-SECBINFHSA-N 1 2 295.347 -1.460 20 0 CAADLO Cn1c[nH+]cc1CC(=O)N[C@@H]1CN(C(=O)C(N)=O)C[C@H]1O ZINC001024777708 656054793 /nfs/dbraw/zinc/05/47/93/656054793.db2.gz HYERITIZRIPVKA-RKDXNWHRSA-N 1 2 295.299 -2.864 20 0 CAADLO Cn1ncc(C(=O)NC[C@@H]2CCCC[N@@H+]2CC(N)=O)n1 ZINC001024706074 656054829 /nfs/dbraw/zinc/05/48/29/656054829.db2.gz RXCRGIKTVNXYJN-VIFPVBQESA-N 1 2 280.332 -1.115 20 0 CAADLO Cn1ncc(C(=O)NC[C@@H]2CCCC[N@H+]2CC(N)=O)n1 ZINC001024706074 656054831 /nfs/dbraw/zinc/05/48/31/656054831.db2.gz RXCRGIKTVNXYJN-VIFPVBQESA-N 1 2 280.332 -1.115 20 0 CAADLO COCC(=O)N1C[C@@H](O)[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001024777551 656054977 /nfs/dbraw/zinc/05/49/77/656054977.db2.gz DSYXULWMFHRQLT-GHMZBOCLSA-N 1 2 296.327 -1.703 20 0 CAADLO CC(=O)N1C[C@@H](O)[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001024777172 656055003 /nfs/dbraw/zinc/05/50/03/656055003.db2.gz TXONOLWJUWDXAI-GHMZBOCLSA-N 1 2 266.301 -1.330 20 0 CAADLO NC(=O)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC(=O)N1 ZINC001024770008 656055104 /nfs/dbraw/zinc/05/51/04/656055104.db2.gz NZENDFCOLCEXAT-ZJUUUORDSA-N 1 2 282.344 -1.279 20 0 CAADLO NC(=O)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC(=O)N1 ZINC001024770008 656055105 /nfs/dbraw/zinc/05/51/05/656055105.db2.gz NZENDFCOLCEXAT-ZJUUUORDSA-N 1 2 282.344 -1.279 20 0 CAADLO COCC(=O)N1C[C@@H](O)[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001024955593 656055970 /nfs/dbraw/zinc/05/59/70/656055970.db2.gz BQXKMLDLAPRKIU-GHMZBOCLSA-N 1 2 296.327 -1.405 20 0 CAADLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CN(C(=O)C(N)=O)C[C@H]1O ZINC001024956479 656056079 /nfs/dbraw/zinc/05/60/79/656056079.db2.gz FNBDXXRUHPOAPO-RKDXNWHRSA-N 1 2 295.299 -2.566 20 0 CAADLO NC(=O)C(=O)N1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3)[C@@H]2C1 ZINC000972989492 656056410 /nfs/dbraw/zinc/05/64/10/656056410.db2.gz HCCSIIJZZRHMJT-NXEZZACHSA-N 1 2 291.311 -1.572 20 0 CAADLO O=C(Cc1[nH]cc[nH+]1)N[C@@H]1CN(C(=O)C(F)F)C[C@H]1O ZINC001025302562 656059999 /nfs/dbraw/zinc/05/99/99/656059999.db2.gz QYAADBCDRVFWSA-RNFRBKRXSA-N 1 2 288.254 -1.095 20 0 CAADLO CN1CC[C@H](CC(=O)N[C@@H]2CCC[N@H+](CC(N)=O)C2)C1=O ZINC001007560500 656060069 /nfs/dbraw/zinc/06/00/69/656060069.db2.gz GUCRWYDZKJQTOL-GHMZBOCLSA-N 1 2 296.371 -1.079 20 0 CAADLO CN1CC[C@H](CC(=O)N[C@@H]2CCC[N@@H+](CC(N)=O)C2)C1=O ZINC001007560500 656060071 /nfs/dbraw/zinc/06/00/71/656060071.db2.gz GUCRWYDZKJQTOL-GHMZBOCLSA-N 1 2 296.371 -1.079 20 0 CAADLO CN1CC[C@@H](CC(=O)N[C@H]2CCC[N@H+](CC(N)=O)C2)C1=O ZINC001007560508 656060273 /nfs/dbraw/zinc/06/02/73/656060273.db2.gz GUCRWYDZKJQTOL-QWRGUYRKSA-N 1 2 296.371 -1.079 20 0 CAADLO CN1CC[C@@H](CC(=O)N[C@H]2CCC[N@@H+](CC(N)=O)C2)C1=O ZINC001007560508 656060274 /nfs/dbraw/zinc/06/02/74/656060274.db2.gz GUCRWYDZKJQTOL-QWRGUYRKSA-N 1 2 296.371 -1.079 20 0 CAADLO NC(=O)C(=O)N[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1O ZINC001025379530 656062183 /nfs/dbraw/zinc/06/21/83/656062183.db2.gz QMYBXXRJZIETAP-HTQZYQBOSA-N 1 2 295.299 -2.485 20 0 CAADLO Cn1c[nH+]cc1CC(=O)N[C@H]1C[C@H](NC(=O)C(N)=O)C1 ZINC000973465358 656063132 /nfs/dbraw/zinc/06/31/32/656063132.db2.gz DYUBPGGSPHINHW-ZKCHVHJHSA-N 1 2 279.300 -1.789 20 0 CAADLO NC(=O)C(=O)N[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1O ZINC001025386976 656063758 /nfs/dbraw/zinc/06/37/58/656063758.db2.gz LNVHSIXZXDCUMI-HTQZYQBOSA-N 1 2 281.272 -2.944 20 0 CAADLO Cc1[nH+]c[nH]c1CC(=O)N[C@H]1C[C@H](NC(=O)C(N)=O)C1 ZINC000973488737 656064368 /nfs/dbraw/zinc/06/43/68/656064368.db2.gz IGVMZMPQYGPGEM-ZKCHVHJHSA-N 1 2 279.300 -1.491 20 0 CAADLO COC1(C(=O)N[C@H](CO)C[NH+](C)C)CS(=O)(=O)C1 ZINC000935981246 656065443 /nfs/dbraw/zinc/06/54/43/656065443.db2.gz ODFRPMZZLXYTDN-QMMMGPOBSA-N 1 2 280.346 -2.161 20 0 CAADLO NC(=O)C(=O)N[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000936280146 656065707 /nfs/dbraw/zinc/06/57/07/656065707.db2.gz IMEMYRJBXIXTBF-SSDOTTSWSA-N 1 2 265.273 -1.845 20 0 CAADLO CN(C[C@@H](O)C[NH+]1CCOCC1)CC1OCCO1 ZINC000182426959 656072836 /nfs/dbraw/zinc/07/28/36/656072836.db2.gz HPNXHZBTZHXCNU-LLVKDONJSA-N 1 2 260.334 -1.016 20 0 CAADLO NC(=O)C(=O)N1C[C@@H](O)[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001025801435 656067816 /nfs/dbraw/zinc/06/78/16/656067816.db2.gz RMCDOPYTKREFLE-HTQZYQBOSA-N 1 2 281.272 -2.875 20 0 CAADLO CO[C@H](C)C(=O)N1C[C@@H](O)[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001025803490 656067902 /nfs/dbraw/zinc/06/79/02/656067902.db2.gz AKXZLZICEMABQY-FBIMIBRVSA-N 1 2 296.327 -1.325 20 0 CAADLO CNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)[C@@]2(C)CNC(=O)C2)C1 ZINC001008022456 656072889 /nfs/dbraw/zinc/07/28/89/656072889.db2.gz DHXRQOUKHHFLPL-QMTHXVAHSA-N 1 2 296.371 -1.161 20 0 CAADLO CNC(=O)C[N@H+]1CCC[C@@H](NC(=O)[C@@]2(C)CNC(=O)C2)C1 ZINC001008022456 656072893 /nfs/dbraw/zinc/07/28/93/656072893.db2.gz DHXRQOUKHHFLPL-QMTHXVAHSA-N 1 2 296.371 -1.161 20 0 CAADLO CNC(=O)C[N@@H+]1CCC[C@H](NC(=O)[C@@]2(C)CNC(=O)C2)C1 ZINC001008022453 656073048 /nfs/dbraw/zinc/07/30/48/656073048.db2.gz DHXRQOUKHHFLPL-IINYFYTJSA-N 1 2 296.371 -1.161 20 0 CAADLO CNC(=O)C[N@H+]1CCC[C@H](NC(=O)[C@@]2(C)CNC(=O)C2)C1 ZINC001008022453 656073051 /nfs/dbraw/zinc/07/30/51/656073051.db2.gz DHXRQOUKHHFLPL-IINYFYTJSA-N 1 2 296.371 -1.161 20 0 CAADLO CN(C[C@H](O)C[NH+]1CCOCC1)CC1OCCO1 ZINC000182426938 656073134 /nfs/dbraw/zinc/07/31/34/656073134.db2.gz HPNXHZBTZHXCNU-NSHDSACASA-N 1 2 260.334 -1.016 20 0 CAADLO C[C@@H]1C[C@@H](NC(=O)C(N)=O)CC[N@@H+]1Cc1nc(=O)n(C)[nH]1 ZINC000947672524 656073416 /nfs/dbraw/zinc/07/34/16/656073416.db2.gz VCDXQIOPTBFPMI-SFYZADRCSA-N 1 2 296.331 -1.937 20 0 CAADLO C[C@@H]1C[C@@H](NC(=O)C(N)=O)CC[N@H+]1Cc1nc(=O)n(C)[nH]1 ZINC000947672524 656073418 /nfs/dbraw/zinc/07/34/18/656073418.db2.gz VCDXQIOPTBFPMI-SFYZADRCSA-N 1 2 296.331 -1.937 20 0 CAADLO C[C@H]1C[C@@H](NC(=O)C(N)=O)CC[N@@H+]1Cc1nc(=O)n(C)[nH]1 ZINC000947672525 656073769 /nfs/dbraw/zinc/07/37/69/656073769.db2.gz VCDXQIOPTBFPMI-YUMQZZPRSA-N 1 2 296.331 -1.937 20 0 CAADLO C[C@H]1C[C@@H](NC(=O)C(N)=O)CC[N@H+]1Cc1nc(=O)n(C)[nH]1 ZINC000947672525 656073770 /nfs/dbraw/zinc/07/37/70/656073770.db2.gz VCDXQIOPTBFPMI-YUMQZZPRSA-N 1 2 296.331 -1.937 20 0 CAADLO CC(=O)NCCCCC[N@@H+]1CCN(CC(N)=O)C(=O)C1 ZINC000930697695 656074179 /nfs/dbraw/zinc/07/41/79/656074179.db2.gz RRVYWQYTBOMCGO-UHFFFAOYSA-N 1 2 284.360 -1.078 20 0 CAADLO CC(=O)NCCCCC[N@H+]1CCN(CC(N)=O)C(=O)C1 ZINC000930697695 656074183 /nfs/dbraw/zinc/07/41/83/656074183.db2.gz RRVYWQYTBOMCGO-UHFFFAOYSA-N 1 2 284.360 -1.078 20 0 CAADLO Cn1nnc(C(=O)N[C@@H]2CCC[N@@H+]([C@H]3CCNC3=O)C2)n1 ZINC001008214498 656074250 /nfs/dbraw/zinc/07/42/50/656074250.db2.gz OTPQTMWXYHMBKL-BDAKNGLRSA-N 1 2 293.331 -1.707 20 0 CAADLO Cn1nnc(C(=O)N[C@@H]2CCC[N@H+]([C@H]3CCNC3=O)C2)n1 ZINC001008214498 656074253 /nfs/dbraw/zinc/07/42/53/656074253.db2.gz OTPQTMWXYHMBKL-BDAKNGLRSA-N 1 2 293.331 -1.707 20 0 CAADLO NC(=O)C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)Cc3ncn[nH]3)C[C@H]12 ZINC001026399368 656074559 /nfs/dbraw/zinc/07/45/59/656074559.db2.gz ULGXKLBDRDCCTA-KXUCPTDWSA-N 1 2 292.343 -1.341 20 0 CAADLO NC(=O)C(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000974271413 656074761 /nfs/dbraw/zinc/07/47/61/656074761.db2.gz MLVYPILLNYISBM-BZNPZCIMSA-N 1 2 291.311 -1.238 20 0 CAADLO NC(=O)C(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC000974271413 656074762 /nfs/dbraw/zinc/07/47/62/656074762.db2.gz MLVYPILLNYISBM-BZNPZCIMSA-N 1 2 291.311 -1.238 20 0 CAADLO CN1CC[C@@H](C(=O)N[C@H]2CCC[N@H+](CC(N)=O)C2)C1=O ZINC001008245236 656074766 /nfs/dbraw/zinc/07/47/66/656074766.db2.gz CHXBOSDZZAEUAS-UWVGGRQHSA-N 1 2 282.344 -1.469 20 0 CAADLO CN1CC[C@@H](C(=O)N[C@H]2CCC[N@@H+](CC(N)=O)C2)C1=O ZINC001008245236 656074767 /nfs/dbraw/zinc/07/47/67/656074767.db2.gz CHXBOSDZZAEUAS-UWVGGRQHSA-N 1 2 282.344 -1.469 20 0 CAADLO Cn1c[nH+]cc1CC(=O)N[C@H]1C[C@@H](NC(=O)C(N)=O)C1 ZINC000974326748 656075360 /nfs/dbraw/zinc/07/53/60/656075360.db2.gz DYUBPGGSPHINHW-OCAPTIKFSA-N 1 2 279.300 -1.789 20 0 CAADLO NC(=O)C(=O)N[C@H]1CCC[N@@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001008371722 656075901 /nfs/dbraw/zinc/07/59/01/656075901.db2.gz MDRRNNIPHMKOSO-YUMQZZPRSA-N 1 2 282.300 -2.143 20 0 CAADLO NC(=O)C(=O)N[C@H]1CCC[N@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001008371722 656075903 /nfs/dbraw/zinc/07/59/03/656075903.db2.gz MDRRNNIPHMKOSO-YUMQZZPRSA-N 1 2 282.300 -2.143 20 0 CAADLO NC(=O)C(=O)N[C@@H]1CCC[N@@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001008371696 656076005 /nfs/dbraw/zinc/07/60/05/656076005.db2.gz MDRRNNIPHMKOSO-HTQZYQBOSA-N 1 2 282.300 -2.143 20 0 CAADLO NC(=O)C(=O)N[C@@H]1CCC[N@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001008371696 656076007 /nfs/dbraw/zinc/07/60/07/656076007.db2.gz MDRRNNIPHMKOSO-HTQZYQBOSA-N 1 2 282.300 -2.143 20 0 CAADLO NC(=O)C(=O)N1C[C@H]2CCN(C(=O)Cn3cc[nH+]c3)C[C@H]21 ZINC000974968435 656079603 /nfs/dbraw/zinc/07/96/03/656079603.db2.gz HWJNOJHOCRRLLP-NXEZZACHSA-N 1 2 291.311 -1.572 20 0 CAADLO NC(=O)C(=O)N1CC[C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)[C@@H]2C1 ZINC000974922134 656079712 /nfs/dbraw/zinc/07/97/12/656079712.db2.gz LCDSKWTXNUXQAT-RKDXNWHRSA-N 1 2 291.311 -1.503 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1C[C@H](NC(=O)c2nnn(C)n2)C(C)(C)C1 ZINC000974934322 656079969 /nfs/dbraw/zinc/07/99/69/656079969.db2.gz HLGNAELCQFZZKH-SFYZADRCSA-N 1 2 295.347 -1.476 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1C[C@H](NC(=O)c2nnn(C)n2)C(C)(C)C1 ZINC000974934322 656079970 /nfs/dbraw/zinc/07/99/70/656079970.db2.gz HLGNAELCQFZZKH-SFYZADRCSA-N 1 2 295.347 -1.476 20 0 CAADLO C[C@@H](C(=O)NC1CC1)[N@@H+]1C[C@H](NC(=O)C(N)=O)C(C)(C)C1 ZINC000975010314 656080323 /nfs/dbraw/zinc/08/03/23/656080323.db2.gz STSXMLUNZTVVRC-WPRPVWTQSA-N 1 2 296.371 -1.035 20 0 CAADLO C[C@@H](C(=O)NC1CC1)[N@H+]1C[C@H](NC(=O)C(N)=O)C(C)(C)C1 ZINC000975010314 656080326 /nfs/dbraw/zinc/08/03/26/656080326.db2.gz STSXMLUNZTVVRC-WPRPVWTQSA-N 1 2 296.371 -1.035 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)C(N)=O)C(C)(C)C1 ZINC000974990349 656080464 /nfs/dbraw/zinc/08/04/64/656080464.db2.gz AGPRSNVTJVOVDE-RNFRBKRXSA-N 1 2 256.306 -1.828 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)C(N)=O)C(C)(C)C1 ZINC000974990349 656080465 /nfs/dbraw/zinc/08/04/65/656080465.db2.gz AGPRSNVTJVOVDE-RNFRBKRXSA-N 1 2 256.306 -1.828 20 0 CAADLO O=C(Cc1ncn[nH]1)N1CC[C@@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001027162967 656080755 /nfs/dbraw/zinc/08/07/55/656080755.db2.gz WXXVTBDYDCOMAN-VHSXEESVSA-N 1 2 292.343 -1.326 20 0 CAADLO O=C(Cc1ncn[nH]1)N1CC[C@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001027162968 656080851 /nfs/dbraw/zinc/08/08/51/656080851.db2.gz WXXVTBDYDCOMAN-ZJUUUORDSA-N 1 2 292.343 -1.326 20 0 CAADLO O=C(Cc1ncn[nH]1)N1CC[C@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001027162965 656080945 /nfs/dbraw/zinc/08/09/45/656080945.db2.gz WXXVTBDYDCOMAN-NXEZZACHSA-N 1 2 292.343 -1.326 20 0 CAADLO O=C(c1cn([C@@H]2CCOC2)nn1)N1CC[NH+](CCO)CC1 ZINC000957112871 656084495 /nfs/dbraw/zinc/08/44/95/656084495.db2.gz RMJSQOGWWNVRFH-LLVKDONJSA-N 1 2 295.343 -1.010 20 0 CAADLO NC(=O)CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cc[nH+]c1 ZINC000976761690 656084559 /nfs/dbraw/zinc/08/45/59/656084559.db2.gz QFEOCTOVTKACME-WOFXILAISA-N 1 2 291.311 -1.669 20 0 CAADLO NC(=O)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cc[nH+]c1 ZINC000976767385 656084578 /nfs/dbraw/zinc/08/45/78/656084578.db2.gz WQIUKJBJSCPTJB-MBTKJCJQSA-N 1 2 277.284 -2.059 20 0 CAADLO NC(=O)CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1[nH]cc[nH+]1 ZINC000977048771 656085617 /nfs/dbraw/zinc/08/56/17/656085617.db2.gz SZTOAKYUOISJGQ-BWPRHRIFSA-N 1 2 291.311 -1.599 20 0 CAADLO NC(=O)C(=O)N[C@@H]1[C@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@H]21 ZINC000977091082 656086671 /nfs/dbraw/zinc/08/66/71/656086671.db2.gz XQLDWBASSVZXML-JZYVYDRUSA-N 1 2 291.311 -1.669 20 0 CAADLO NC(=O)C(=O)N[C@@H]1[C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]21 ZINC000977091776 656086825 /nfs/dbraw/zinc/08/68/25/656086825.db2.gz KFLQXAZVGCHNOQ-MBTKJCJQSA-N 1 2 277.284 -1.990 20 0 CAADLO NC(=O)C(=O)N[C@@H]1CCCC[C@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC000977122783 656087775 /nfs/dbraw/zinc/08/77/75/656087775.db2.gz SMFCVJDFXNXTDY-RKDXNWHRSA-N 1 2 293.327 -1.019 20 0 CAADLO Cn1ncc(C(=O)N[C@H]2C[N@H+](CC(N)=O)CC2(C)C)n1 ZINC000977340816 656088300 /nfs/dbraw/zinc/08/83/00/656088300.db2.gz ZUSWGQWMKVQYAR-VIFPVBQESA-N 1 2 280.332 -1.259 20 0 CAADLO Cn1ncc(C(=O)N[C@H]2C[N@@H+](CC(N)=O)CC2(C)C)n1 ZINC000977340816 656088303 /nfs/dbraw/zinc/08/83/03/656088303.db2.gz ZUSWGQWMKVQYAR-VIFPVBQESA-N 1 2 280.332 -1.259 20 0 CAADLO Cn1[nH]c(C[N@H+](C)[C@@H]2CCCN(C(=O)C(N)=O)C2)nc1=O ZINC001027553133 656089783 /nfs/dbraw/zinc/08/97/83/656089783.db2.gz PGTAXUOQNLWISI-MRVPVSSYSA-N 1 2 296.331 -1.984 20 0 CAADLO Cn1[nH]c(C[N@@H+](C)[C@@H]2CCCN(C(=O)C(N)=O)C2)nc1=O ZINC001027553133 656089787 /nfs/dbraw/zinc/08/97/87/656089787.db2.gz PGTAXUOQNLWISI-MRVPVSSYSA-N 1 2 296.331 -1.984 20 0 CAADLO Cn1[nH]c(C[N@H+](C)[C@H]2CCCN(C(=O)C(N)=O)C2)nc1=O ZINC001027553134 656089937 /nfs/dbraw/zinc/08/99/37/656089937.db2.gz PGTAXUOQNLWISI-QMMMGPOBSA-N 1 2 296.331 -1.984 20 0 CAADLO Cn1[nH]c(C[N@@H+](C)[C@H]2CCCN(C(=O)C(N)=O)C2)nc1=O ZINC001027553134 656089941 /nfs/dbraw/zinc/08/99/41/656089941.db2.gz PGTAXUOQNLWISI-QMMMGPOBSA-N 1 2 296.331 -1.984 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)c1nccnc1N ZINC001027800162 656094691 /nfs/dbraw/zinc/09/46/91/656094691.db2.gz QEIUXKXNYRQQSY-QMMMGPOBSA-N 1 2 278.316 -1.262 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@H]1CNC(=O)c1nccnc1N ZINC001027800162 656094693 /nfs/dbraw/zinc/09/46/93/656094693.db2.gz QEIUXKXNYRQQSY-QMMMGPOBSA-N 1 2 278.316 -1.262 20 0 CAADLO Cc1nnc(C[NH2+][C@@H](C)[C@@H]2CN(C(=O)C(N)=O)CCO2)o1 ZINC000979359703 656094717 /nfs/dbraw/zinc/09/47/17/656094717.db2.gz NMQNCPCUAJBKAU-CBAPKCEASA-N 1 2 297.315 -1.431 20 0 CAADLO CNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)c1nccnc1N ZINC001027799670 656094735 /nfs/dbraw/zinc/09/47/35/656094735.db2.gz IKKFKFMBRZVILA-VIFPVBQESA-N 1 2 292.343 -1.001 20 0 CAADLO CNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)c1nccnc1N ZINC001027799670 656094736 /nfs/dbraw/zinc/09/47/36/656094736.db2.gz IKKFKFMBRZVILA-VIFPVBQESA-N 1 2 292.343 -1.001 20 0 CAADLO Cc1nnc(C[NH2+][C@H](C)[C@H]2CN(C(=O)C(N)=O)CCO2)o1 ZINC000979359712 656095020 /nfs/dbraw/zinc/09/50/20/656095020.db2.gz NMQNCPCUAJBKAU-VXNVDRBHSA-N 1 2 297.315 -1.431 20 0 CAADLO Cc1noc(C[NH2+][C@H](C)[C@H]2CN(C(=O)C(N)=O)CCO2)n1 ZINC000979355609 656095134 /nfs/dbraw/zinc/09/51/34/656095134.db2.gz GOFALRXNISYVKZ-VXNVDRBHSA-N 1 2 297.315 -1.431 20 0 CAADLO NC(=O)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1c[nH]c[nH+]1 ZINC000979516106 656095742 /nfs/dbraw/zinc/09/57/42/656095742.db2.gz JWEHQELIAMHDTB-MBTKJCJQSA-N 1 2 277.284 -1.990 20 0 CAADLO NC(=O)CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1c[nH]c[nH+]1 ZINC000979516224 656095770 /nfs/dbraw/zinc/09/57/70/656095770.db2.gz LXECRAMGVFHWFM-WOFXILAISA-N 1 2 291.311 -1.599 20 0 CAADLO CNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cnnn1C ZINC001027854133 656097106 /nfs/dbraw/zinc/09/71/06/656097106.db2.gz CXZKLMINVLRIND-SECBINFHSA-N 1 2 280.332 -1.245 20 0 CAADLO CNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)c1cnnn1C ZINC001027854133 656097108 /nfs/dbraw/zinc/09/71/08/656097108.db2.gz CXZKLMINVLRIND-SECBINFHSA-N 1 2 280.332 -1.245 20 0 CAADLO CNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)c1ncn(C)n1 ZINC001027865520 656097138 /nfs/dbraw/zinc/09/71/38/656097138.db2.gz OMUJFPOCASULRP-VIFPVBQESA-N 1 2 280.332 -1.245 20 0 CAADLO CNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)c1ncn(C)n1 ZINC001027865520 656097143 /nfs/dbraw/zinc/09/71/43/656097143.db2.gz OMUJFPOCASULRP-VIFPVBQESA-N 1 2 280.332 -1.245 20 0 CAADLO CNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)c1cnnn1C ZINC001027854134 656097250 /nfs/dbraw/zinc/09/72/50/656097250.db2.gz CXZKLMINVLRIND-VIFPVBQESA-N 1 2 280.332 -1.245 20 0 CAADLO CNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)c1cnnn1C ZINC001027854134 656097252 /nfs/dbraw/zinc/09/72/52/656097252.db2.gz CXZKLMINVLRIND-VIFPVBQESA-N 1 2 280.332 -1.245 20 0 CAADLO Cn1nncc1C(=O)NC[C@H]1CCC[N@@H+]1CC(N)=O ZINC001027855273 656097523 /nfs/dbraw/zinc/09/75/23/656097523.db2.gz ATHXCDBAUANGOQ-MRVPVSSYSA-N 1 2 266.305 -1.505 20 0 CAADLO Cn1nncc1C(=O)NC[C@H]1CCC[N@H+]1CC(N)=O ZINC001027855273 656097524 /nfs/dbraw/zinc/09/75/24/656097524.db2.gz ATHXCDBAUANGOQ-MRVPVSSYSA-N 1 2 266.305 -1.505 20 0 CAADLO CCn1nncc1C(=O)NC[C@H]1CCC[N@@H+]1CC(N)=O ZINC001027871414 656098110 /nfs/dbraw/zinc/09/81/10/656098110.db2.gz MLLONEZKUQNQRU-SECBINFHSA-N 1 2 280.332 -1.023 20 0 CAADLO CCn1nncc1C(=O)NC[C@H]1CCC[N@H+]1CC(N)=O ZINC001027871414 656098112 /nfs/dbraw/zinc/09/81/12/656098112.db2.gz MLLONEZKUQNQRU-SECBINFHSA-N 1 2 280.332 -1.023 20 0 CAADLO C[C@@H]1OCCO[C@@H]1C(=O)NC[C@H]1CCC[N@@H+]1CC(N)=O ZINC001027942547 656099311 /nfs/dbraw/zinc/09/93/11/656099311.db2.gz FHNZIVPWEKUJFO-UMNHJUIQSA-N 1 2 285.344 -1.144 20 0 CAADLO C[C@@H]1OCCO[C@@H]1C(=O)NC[C@H]1CCC[N@H+]1CC(N)=O ZINC001027942547 656099312 /nfs/dbraw/zinc/09/93/12/656099312.db2.gz FHNZIVPWEKUJFO-UMNHJUIQSA-N 1 2 285.344 -1.144 20 0 CAADLO O=C(C[N@@H+]1CC[C@H](NC(=O)[C@H]2COCCO2)C1)NC1CC1 ZINC001010251929 656100915 /nfs/dbraw/zinc/10/09/15/656100915.db2.gz HZFPUCVLFQYVRP-NWDGAFQWSA-N 1 2 297.355 -1.129 20 0 CAADLO O=C(C[N@H+]1CC[C@H](NC(=O)[C@H]2COCCO2)C1)NC1CC1 ZINC001010251929 656100917 /nfs/dbraw/zinc/10/09/17/656100917.db2.gz HZFPUCVLFQYVRP-NWDGAFQWSA-N 1 2 297.355 -1.129 20 0 CAADLO C[C@@H](C(N)=O)N1CCCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000980892988 656100938 /nfs/dbraw/zinc/10/09/38/656100938.db2.gz CYWSDCWEQBUSHE-NWDGAFQWSA-N 1 2 298.387 -1.275 20 0 CAADLO C[C@@H](C(N)=O)N1CCCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000980892988 656100942 /nfs/dbraw/zinc/10/09/42/656100942.db2.gz CYWSDCWEQBUSHE-NWDGAFQWSA-N 1 2 298.387 -1.275 20 0 CAADLO NC(=O)CC(=O)N1CCC[N@H+](CC(=O)NC2CC2)CC1 ZINC000980872763 656101005 /nfs/dbraw/zinc/10/10/05/656101005.db2.gz UHRGSSGNTWRTLM-UHFFFAOYSA-N 1 2 282.344 -1.325 20 0 CAADLO NC(=O)CC(=O)N1CCC[N@@H+](CC(=O)NC2CC2)CC1 ZINC000980872763 656101009 /nfs/dbraw/zinc/10/10/09/656101009.db2.gz UHRGSSGNTWRTLM-UHFFFAOYSA-N 1 2 282.344 -1.325 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CCCN(C(=O)[C@H]2CCC(=O)N2)CC1 ZINC000980840317 656101054 /nfs/dbraw/zinc/10/10/54/656101054.db2.gz XLNHUVODVMBNHH-VHSXEESVSA-N 1 2 282.344 -1.327 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CCCN(C(=O)[C@H]2CCC(=O)N2)CC1 ZINC000980840317 656101056 /nfs/dbraw/zinc/10/10/56/656101056.db2.gz XLNHUVODVMBNHH-VHSXEESVSA-N 1 2 282.344 -1.327 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2COCCO2)C1 ZINC001010255756 656101577 /nfs/dbraw/zinc/10/15/77/656101577.db2.gz OPHGMVYAEFZJOR-BDAKNGLRSA-N 1 2 257.290 -1.922 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2COCCO2)C1 ZINC001010255756 656101583 /nfs/dbraw/zinc/10/15/83/656101583.db2.gz OPHGMVYAEFZJOR-BDAKNGLRSA-N 1 2 257.290 -1.922 20 0 CAADLO NC(=O)C[N@@H+]1CCCN(C(=O)CN2CN=NC2=O)CC1 ZINC000981005866 656101600 /nfs/dbraw/zinc/10/16/00/656101600.db2.gz ZEPOFKDAOVAVNX-UHFFFAOYSA-N 1 2 282.304 -1.997 20 0 CAADLO NC(=O)C[N@H+]1CCCN(C(=O)CN2CN=NC2=O)CC1 ZINC000981005866 656101602 /nfs/dbraw/zinc/10/16/02/656101602.db2.gz ZEPOFKDAOVAVNX-UHFFFAOYSA-N 1 2 282.304 -1.997 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CCCN(C(=O)[C@@H]2COCCN2C)CC1 ZINC000981010891 656101724 /nfs/dbraw/zinc/10/17/24/656101724.db2.gz VEHPGMNTUAJCLG-NEPJUHHUSA-N 1 2 298.387 -1.275 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CCCN(C(=O)[C@@H]2COCCN2C)CC1 ZINC000981010891 656101727 /nfs/dbraw/zinc/10/17/27/656101727.db2.gz VEHPGMNTUAJCLG-NEPJUHHUSA-N 1 2 298.387 -1.275 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CCCN(C(=O)[C@H]2COCCN2C)CC1 ZINC000981010895 656101824 /nfs/dbraw/zinc/10/18/24/656101824.db2.gz VEHPGMNTUAJCLG-VXGBXAGGSA-N 1 2 298.387 -1.275 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CCCN(C(=O)[C@H]2COCCN2C)CC1 ZINC000981010895 656101831 /nfs/dbraw/zinc/10/18/31/656101831.db2.gz VEHPGMNTUAJCLG-VXGBXAGGSA-N 1 2 298.387 -1.275 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CCCN(C(=O)CN2CCOCC2)CC1 ZINC000981001484 656101906 /nfs/dbraw/zinc/10/19/06/656101906.db2.gz LSTZTRFJUZHHMR-GFCCVEGCSA-N 1 2 298.387 -1.273 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CCCN(C(=O)CN2CCOCC2)CC1 ZINC000981001484 656101909 /nfs/dbraw/zinc/10/19/09/656101909.db2.gz LSTZTRFJUZHHMR-GFCCVEGCSA-N 1 2 298.387 -1.273 20 0 CAADLO CN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2COCCO2)C1 ZINC001010261253 656102033 /nfs/dbraw/zinc/10/20/33/656102033.db2.gz YPMJZBKDSQEYBF-GHMZBOCLSA-N 1 2 285.344 -1.320 20 0 CAADLO CN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)[C@H]2COCCO2)C1 ZINC001010261253 656102034 /nfs/dbraw/zinc/10/20/34/656102034.db2.gz YPMJZBKDSQEYBF-GHMZBOCLSA-N 1 2 285.344 -1.320 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H]2COCCO2)C1 ZINC001010255800 656102143 /nfs/dbraw/zinc/10/21/43/656102143.db2.gz OPHGMVYAEFZJOR-DTWKUNHWSA-N 1 2 257.290 -1.922 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)[C@H]2COCCO2)C1 ZINC001010255800 656102147 /nfs/dbraw/zinc/10/21/47/656102147.db2.gz OPHGMVYAEFZJOR-DTWKUNHWSA-N 1 2 257.290 -1.922 20 0 CAADLO CN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H]2COCCO2)C1 ZINC001010261265 656102284 /nfs/dbraw/zinc/10/22/84/656102284.db2.gz YPMJZBKDSQEYBF-WDEREUQCSA-N 1 2 285.344 -1.320 20 0 CAADLO CN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)[C@H]2COCCO2)C1 ZINC001010261265 656102287 /nfs/dbraw/zinc/10/22/87/656102287.db2.gz YPMJZBKDSQEYBF-WDEREUQCSA-N 1 2 285.344 -1.320 20 0 CAADLO NC(=O)C[N@@H+]1CCCN(C(=O)CCn2ccnn2)CC1 ZINC000981050755 656102539 /nfs/dbraw/zinc/10/25/39/656102539.db2.gz XPJAKZLJGIFGIG-UHFFFAOYSA-N 1 2 280.332 -1.312 20 0 CAADLO NC(=O)C[N@H+]1CCCN(C(=O)CCn2ccnn2)CC1 ZINC000981050755 656102540 /nfs/dbraw/zinc/10/25/40/656102540.db2.gz XPJAKZLJGIFGIG-UHFFFAOYSA-N 1 2 280.332 -1.312 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CCCN(C(=O)c2cnnn2C)CC1 ZINC000981069774 656102553 /nfs/dbraw/zinc/10/25/53/656102553.db2.gz BSIAYAHSKSMAND-SECBINFHSA-N 1 2 280.332 -1.163 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CCCN(C(=O)c2cnnn2C)CC1 ZINC000981069774 656102554 /nfs/dbraw/zinc/10/25/54/656102554.db2.gz BSIAYAHSKSMAND-SECBINFHSA-N 1 2 280.332 -1.163 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CCCN(C(=O)Cn2ncnn2)CC1 ZINC000981170888 656102749 /nfs/dbraw/zinc/10/27/49/656102749.db2.gz FQBVIAMLIHAUMX-SECBINFHSA-N 1 2 281.320 -1.919 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CCCN(C(=O)Cn2ncnn2)CC1 ZINC000981170888 656102751 /nfs/dbraw/zinc/10/27/51/656102751.db2.gz FQBVIAMLIHAUMX-SECBINFHSA-N 1 2 281.320 -1.919 20 0 CAADLO Cn1cnc(C(=O)N2CCC[N@@H+]([C@@H]3CCNC3=O)CC2)n1 ZINC000981105998 656102758 /nfs/dbraw/zinc/10/27/58/656102758.db2.gz PPBGKVGMPXOVFM-SNVBAGLBSA-N 1 2 292.343 -1.149 20 0 CAADLO Cn1cnc(C(=O)N2CCC[N@H+]([C@@H]3CCNC3=O)CC2)n1 ZINC000981105998 656102760 /nfs/dbraw/zinc/10/27/60/656102760.db2.gz PPBGKVGMPXOVFM-SNVBAGLBSA-N 1 2 292.343 -1.149 20 0 CAADLO Cc1nn[nH]c1C(=O)NC[C@H]1CCC[N@@H+]1CC(N)=O ZINC001028064741 656103180 /nfs/dbraw/zinc/10/31/80/656103180.db2.gz QAAQNVNFGFUWDA-MRVPVSSYSA-N 1 2 266.305 -1.207 20 0 CAADLO Cc1nn[nH]c1C(=O)NC[C@H]1CCC[N@H+]1CC(N)=O ZINC001028064741 656103181 /nfs/dbraw/zinc/10/31/81/656103181.db2.gz QAAQNVNFGFUWDA-MRVPVSSYSA-N 1 2 266.305 -1.207 20 0 CAADLO NC(=O)c1ncn(CC(=O)N2CCC[N@H+](CCF)CC2)n1 ZINC000981197456 656103216 /nfs/dbraw/zinc/10/32/16/656103216.db2.gz BZOICUNMPRXJEJ-UHFFFAOYSA-N 1 2 298.322 -1.119 20 0 CAADLO NC(=O)c1ncn(CC(=O)N2CCC[N@@H+](CCF)CC2)n1 ZINC000981197456 656103218 /nfs/dbraw/zinc/10/32/18/656103218.db2.gz BZOICUNMPRXJEJ-UHFFFAOYSA-N 1 2 298.322 -1.119 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CCCN(C(=O)Cn2nccn2)CC1 ZINC000981247164 656103503 /nfs/dbraw/zinc/10/35/03/656103503.db2.gz QEZDFBRSVVXILY-SNVBAGLBSA-N 1 2 280.332 -1.314 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CCCN(C(=O)Cn2nccn2)CC1 ZINC000981247164 656103506 /nfs/dbraw/zinc/10/35/06/656103506.db2.gz QEZDFBRSVVXILY-SNVBAGLBSA-N 1 2 280.332 -1.314 20 0 CAADLO Cn1nnc(C(=O)NC[C@@H]2CCC[N@@H+]2CC(N)=O)n1 ZINC001028078849 656103990 /nfs/dbraw/zinc/10/39/90/656103990.db2.gz TYPUJEZRSIDWLH-ZETCQYMHSA-N 1 2 267.293 -2.110 20 0 CAADLO Cn1nnc(C(=O)NC[C@@H]2CCC[N@H+]2CC(N)=O)n1 ZINC001028078849 656103993 /nfs/dbraw/zinc/10/39/93/656103993.db2.gz TYPUJEZRSIDWLH-ZETCQYMHSA-N 1 2 267.293 -2.110 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CCC[C@@H]1CNC(=O)c1nnn(C)n1 ZINC001028078462 656104281 /nfs/dbraw/zinc/10/42/81/656104281.db2.gz JSZWYXKGQVHXNW-JGVFFNPUSA-N 1 2 281.320 -1.722 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CCC[C@@H]1CNC(=O)c1nnn(C)n1 ZINC001028078462 656104283 /nfs/dbraw/zinc/10/42/83/656104283.db2.gz JSZWYXKGQVHXNW-JGVFFNPUSA-N 1 2 281.320 -1.722 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CCCN(C(=O)[C@H]2CCCNC2=O)CC1 ZINC000981385130 656104452 /nfs/dbraw/zinc/10/44/52/656104452.db2.gz IUDMRSVWRQBBAH-MNOVXSKESA-N 1 2 296.371 -1.079 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CCCN(C(=O)[C@H]2CCCNC2=O)CC1 ZINC000981385130 656104454 /nfs/dbraw/zinc/10/44/54/656104454.db2.gz IUDMRSVWRQBBAH-MNOVXSKESA-N 1 2 296.371 -1.079 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CCCN(C(=O)C(C)(C)C(N)=O)CC1 ZINC000981383541 656104673 /nfs/dbraw/zinc/10/46/73/656104673.db2.gz RDRAXVZPEXOHOQ-SECBINFHSA-N 1 2 284.360 -1.094 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CCCN(C(=O)C(C)(C)C(N)=O)CC1 ZINC000981383541 656104674 /nfs/dbraw/zinc/10/46/74/656104674.db2.gz RDRAXVZPEXOHOQ-SECBINFHSA-N 1 2 284.360 -1.094 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CCCN(C(=O)C[C@@H]2CCNC2=O)CC1 ZINC000981319662 656104719 /nfs/dbraw/zinc/10/47/19/656104719.db2.gz NMMBVDKCBIXGTP-QWRGUYRKSA-N 1 2 296.371 -1.079 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CCCN(C(=O)C[C@@H]2CCNC2=O)CC1 ZINC000981319662 656104723 /nfs/dbraw/zinc/10/47/23/656104723.db2.gz NMMBVDKCBIXGTP-QWRGUYRKSA-N 1 2 296.371 -1.079 20 0 CAADLO O=C(CC1CS(=O)(=O)C1)N1CCC[N@@H+](CCO)CC1 ZINC000981501422 656104906 /nfs/dbraw/zinc/10/49/06/656104906.db2.gz SQMPYWNLHWODDP-UHFFFAOYSA-N 1 2 290.385 -1.052 20 0 CAADLO O=C(CC1CS(=O)(=O)C1)N1CCC[N@H+](CCO)CC1 ZINC000981501422 656104910 /nfs/dbraw/zinc/10/49/10/656104910.db2.gz SQMPYWNLHWODDP-UHFFFAOYSA-N 1 2 290.385 -1.052 20 0 CAADLO NC(=O)C[N@@H+]1CCCN(C(=O)c2cnc[nH]c2=O)CC1 ZINC000981416234 656104947 /nfs/dbraw/zinc/10/49/47/656104947.db2.gz DKXSLEQDULCZOL-UHFFFAOYSA-N 1 2 279.300 -1.185 20 0 CAADLO NC(=O)C[N@@H+]1CCCN(C(=O)c2cn[nH]c(=O)c2)CC1 ZINC000981397401 656105172 /nfs/dbraw/zinc/10/51/72/656105172.db2.gz BADGGBKQZMTBRA-UHFFFAOYSA-N 1 2 279.300 -1.185 20 0 CAADLO NC(=O)C[N@H+]1CCCN(C(=O)c2cn[nH]c(=O)c2)CC1 ZINC000981397401 656105177 /nfs/dbraw/zinc/10/51/77/656105177.db2.gz BADGGBKQZMTBRA-UHFFFAOYSA-N 1 2 279.300 -1.185 20 0 CAADLO NC(=O)C[N@@H+]1CCCN(C(=O)[C@H]2CCCNC2=O)CC1 ZINC000981390765 656105186 /nfs/dbraw/zinc/10/51/86/656105186.db2.gz JIHKEKKYSAFVGI-JTQLQIEISA-N 1 2 282.344 -1.468 20 0 CAADLO NC(=O)C[N@H+]1CCCN(C(=O)[C@H]2CCCNC2=O)CC1 ZINC000981390765 656105187 /nfs/dbraw/zinc/10/51/87/656105187.db2.gz JIHKEKKYSAFVGI-JTQLQIEISA-N 1 2 282.344 -1.468 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CCCN(C(=O)[C@@H]2CCC(=O)NC2)CC1 ZINC000981519795 656105647 /nfs/dbraw/zinc/10/56/47/656105647.db2.gz DKKKRIOLZKMLHL-GHMZBOCLSA-N 1 2 296.371 -1.079 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CCCN(C(=O)[C@@H]2CCC(=O)NC2)CC1 ZINC000981519795 656105654 /nfs/dbraw/zinc/10/56/54/656105654.db2.gz DKKKRIOLZKMLHL-GHMZBOCLSA-N 1 2 296.371 -1.079 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CCCN(C(=O)[C@@H]2CCC(=O)NC2)CC1 ZINC000981519799 656106003 /nfs/dbraw/zinc/10/60/03/656106003.db2.gz DKKKRIOLZKMLHL-WDEREUQCSA-N 1 2 296.371 -1.079 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CCCN(C(=O)[C@@H]2CCC(=O)NC2)CC1 ZINC000981519799 656106008 /nfs/dbraw/zinc/10/60/08/656106008.db2.gz DKKKRIOLZKMLHL-WDEREUQCSA-N 1 2 296.371 -1.079 20 0 CAADLO O=C(CN1CCNC(=O)C1)N1CCC[N@@H+](CCF)CC1 ZINC000981742559 656106275 /nfs/dbraw/zinc/10/62/75/656106275.db2.gz GWIWBLKYXGDZSM-UHFFFAOYSA-N 1 2 286.351 -1.078 20 0 CAADLO O=C(CN1CCNC(=O)C1)N1CCC[N@H+](CCF)CC1 ZINC000981742559 656106278 /nfs/dbraw/zinc/10/62/78/656106278.db2.gz GWIWBLKYXGDZSM-UHFFFAOYSA-N 1 2 286.351 -1.078 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCOC2)C1 ZINC001010343325 656106323 /nfs/dbraw/zinc/10/63/23/656106323.db2.gz FCFNHJVYVIDPKU-VHSXEESVSA-N 1 2 255.318 -1.041 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CCOC2)C1 ZINC001010343325 656106326 /nfs/dbraw/zinc/10/63/26/656106326.db2.gz FCFNHJVYVIDPKU-VHSXEESVSA-N 1 2 255.318 -1.041 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CCCN(C(=O)[C@]2(C)CNC(=O)C2)CC1 ZINC000981674208 656106652 /nfs/dbraw/zinc/10/66/52/656106652.db2.gz RNWXGJQZBGFOFN-HZMBPMFUSA-N 1 2 296.371 -1.079 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CCCN(C(=O)[C@]2(C)CNC(=O)C2)CC1 ZINC000981674208 656106654 /nfs/dbraw/zinc/10/66/54/656106654.db2.gz RNWXGJQZBGFOFN-HZMBPMFUSA-N 1 2 296.371 -1.079 20 0 CAADLO NC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2CNC(=O)N2)CC1 ZINC000981850626 656107276 /nfs/dbraw/zinc/10/72/76/656107276.db2.gz ODGBXXMNKQIEDZ-QMMMGPOBSA-N 1 2 269.305 -2.313 20 0 CAADLO NC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2CNC(=O)N2)CC1 ZINC000981850626 656107278 /nfs/dbraw/zinc/10/72/78/656107278.db2.gz ODGBXXMNKQIEDZ-QMMMGPOBSA-N 1 2 269.305 -2.313 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CCCN(C(=O)[C@H]2CCN(C)C2=O)CC1 ZINC000981789749 656107311 /nfs/dbraw/zinc/10/73/11/656107311.db2.gz HWFQDONKLUYZAD-MNOVXSKESA-N 1 2 296.371 -1.127 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CCCN(C(=O)[C@H]2CCN(C)C2=O)CC1 ZINC000981789749 656107316 /nfs/dbraw/zinc/10/73/16/656107316.db2.gz HWFQDONKLUYZAD-MNOVXSKESA-N 1 2 296.371 -1.127 20 0 CAADLO NC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2CC[C@@H]2C(N)=O)CC1 ZINC000981756835 656107397 /nfs/dbraw/zinc/10/73/97/656107397.db2.gz DQXHIOZJWZJIIX-VHSXEESVSA-N 1 2 282.344 -1.483 20 0 CAADLO NC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2CC[C@@H]2C(N)=O)CC1 ZINC000981756835 656107400 /nfs/dbraw/zinc/10/74/00/656107400.db2.gz DQXHIOZJWZJIIX-VHSXEESVSA-N 1 2 282.344 -1.483 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CCCN(C(=O)[C@@H]2CCNC2=O)CC1 ZINC000981749446 656107428 /nfs/dbraw/zinc/10/74/28/656107428.db2.gz AZAOOHAEHSXVQL-VHSXEESVSA-N 1 2 282.344 -1.469 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CCCN(C(=O)[C@@H]2CCNC2=O)CC1 ZINC000981749446 656107432 /nfs/dbraw/zinc/10/74/32/656107432.db2.gz AZAOOHAEHSXVQL-VHSXEESVSA-N 1 2 282.344 -1.469 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001028134182 656107453 /nfs/dbraw/zinc/10/74/53/656107453.db2.gz OHDAIACTHNOHQE-LPEHRKFASA-N 1 2 298.343 -1.915 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001028134182 656107458 /nfs/dbraw/zinc/10/74/58/656107458.db2.gz OHDAIACTHNOHQE-LPEHRKFASA-N 1 2 298.343 -1.915 20 0 CAADLO NC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2CCNC2=O)CC1 ZINC000981749428 656107481 /nfs/dbraw/zinc/10/74/81/656107481.db2.gz ASRHZQFHUKQLIH-SECBINFHSA-N 1 2 268.317 -1.858 20 0 CAADLO NC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2CCNC2=O)CC1 ZINC000981749428 656107484 /nfs/dbraw/zinc/10/74/84/656107484.db2.gz ASRHZQFHUKQLIH-SECBINFHSA-N 1 2 268.317 -1.858 20 0 CAADLO NC(=O)C[N@@H+]1CCCN(C(=O)[C@H]2CCNC2=O)CC1 ZINC000981749429 656107724 /nfs/dbraw/zinc/10/77/24/656107724.db2.gz ASRHZQFHUKQLIH-VIFPVBQESA-N 1 2 268.317 -1.858 20 0 CAADLO NC(=O)C[N@H+]1CCCN(C(=O)[C@H]2CCNC2=O)CC1 ZINC000981749429 656107726 /nfs/dbraw/zinc/10/77/26/656107726.db2.gz ASRHZQFHUKQLIH-VIFPVBQESA-N 1 2 268.317 -1.858 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CCCN(C(=O)[C@@H]2CCN(C)C2=O)CC1 ZINC000981789751 656107873 /nfs/dbraw/zinc/10/78/73/656107873.db2.gz HWFQDONKLUYZAD-WDEREUQCSA-N 1 2 296.371 -1.127 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CCCN(C(=O)[C@@H]2CCN(C)C2=O)CC1 ZINC000981789751 656107877 /nfs/dbraw/zinc/10/78/77/656107877.db2.gz HWFQDONKLUYZAD-WDEREUQCSA-N 1 2 296.371 -1.127 20 0 CAADLO O=C([C@@H]1CNC(=O)N1)N1CCC[N@@H+]([C@H]2CCNC2=O)CC1 ZINC000981850730 656108287 /nfs/dbraw/zinc/10/82/87/656108287.db2.gz RJQQEVWSFAFTCI-UWVGGRQHSA-N 1 2 295.343 -1.909 20 0 CAADLO O=C([C@@H]1CNC(=O)N1)N1CCC[N@H+]([C@H]2CCNC2=O)CC1 ZINC000981850730 656108289 /nfs/dbraw/zinc/10/82/89/656108289.db2.gz RJQQEVWSFAFTCI-UWVGGRQHSA-N 1 2 295.343 -1.909 20 0 CAADLO O=C([C@@H]1CNC(=O)N1)N1CCC[N@@H+]([C@@H]2CCNC2=O)CC1 ZINC000981850731 656108541 /nfs/dbraw/zinc/10/85/41/656108541.db2.gz RJQQEVWSFAFTCI-VHSXEESVSA-N 1 2 295.343 -1.909 20 0 CAADLO O=C([C@@H]1CNC(=O)N1)N1CCC[N@H+]([C@@H]2CCNC2=O)CC1 ZINC000981850731 656108543 /nfs/dbraw/zinc/10/85/43/656108543.db2.gz RJQQEVWSFAFTCI-VHSXEESVSA-N 1 2 295.343 -1.909 20 0 CAADLO NC(=O)C[N@@H+]1CCCN(C(=O)C2(C(N)=O)CC2)CC1 ZINC000981865561 656108645 /nfs/dbraw/zinc/10/86/45/656108645.db2.gz XPCQAVXNAXVZFB-UHFFFAOYSA-N 1 2 268.317 -1.729 20 0 CAADLO NC(=O)C[N@H+]1CCCN(C(=O)C2(C(N)=O)CC2)CC1 ZINC000981865561 656108647 /nfs/dbraw/zinc/10/86/47/656108647.db2.gz XPCQAVXNAXVZFB-UHFFFAOYSA-N 1 2 268.317 -1.729 20 0 CAADLO O=C([C@H]1CNC(=O)N1)N1CCC[N@@H+]([C@H]2CCNC2=O)CC1 ZINC000981850732 656108715 /nfs/dbraw/zinc/10/87/15/656108715.db2.gz RJQQEVWSFAFTCI-ZJUUUORDSA-N 1 2 295.343 -1.909 20 0 CAADLO O=C([C@H]1CNC(=O)N1)N1CCC[N@H+]([C@H]2CCNC2=O)CC1 ZINC000981850732 656108717 /nfs/dbraw/zinc/10/87/17/656108717.db2.gz RJQQEVWSFAFTCI-ZJUUUORDSA-N 1 2 295.343 -1.909 20 0 CAADLO Cn1c[nH+]cc1CN1CCCN(C(=O)C(N)=O)CC1 ZINC000981854257 656108739 /nfs/dbraw/zinc/10/87/39/656108739.db2.gz GNURAMVMQKMMCO-UHFFFAOYSA-N 1 2 265.317 -1.060 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CCCN(C(=O)[C@@]2(C)CCNC2=O)CC1 ZINC000981945823 656109022 /nfs/dbraw/zinc/10/90/22/656109022.db2.gz SIBHFJRXDQUWBM-YGRLFVJLSA-N 1 2 296.371 -1.079 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CCCN(C(=O)[C@@]2(C)CCNC2=O)CC1 ZINC000981945823 656109028 /nfs/dbraw/zinc/10/90/28/656109028.db2.gz SIBHFJRXDQUWBM-YGRLFVJLSA-N 1 2 296.371 -1.079 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CCCN(C(=O)[C@]2(C)CCNC2=O)CC1 ZINC000981945820 656109218 /nfs/dbraw/zinc/10/92/18/656109218.db2.gz SIBHFJRXDQUWBM-IINYFYTJSA-N 1 2 296.371 -1.079 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CCCN(C(=O)[C@]2(C)CCNC2=O)CC1 ZINC000981945820 656109219 /nfs/dbraw/zinc/10/92/19/656109219.db2.gz SIBHFJRXDQUWBM-IINYFYTJSA-N 1 2 296.371 -1.079 20 0 CAADLO NC(=O)C[N@@H+]1CCCN(C(=O)[C@H]2CC[C@@H](C(N)=O)C2)CC1 ZINC000981963822 656109222 /nfs/dbraw/zinc/10/92/22/656109222.db2.gz OSXDFCGUYLFERF-MNOVXSKESA-N 1 2 296.371 -1.092 20 0 CAADLO NC(=O)C[N@H+]1CCCN(C(=O)[C@H]2CC[C@@H](C(N)=O)C2)CC1 ZINC000981963822 656109224 /nfs/dbraw/zinc/10/92/24/656109224.db2.gz OSXDFCGUYLFERF-MNOVXSKESA-N 1 2 296.371 -1.092 20 0 CAADLO C[C@]1(C(=O)N2CCC[N@H+](CC(N)=O)CC2)CCNC1=O ZINC000981945220 656109273 /nfs/dbraw/zinc/10/92/73/656109273.db2.gz IEAFYGHFOXMQAO-ZDUSSCGKSA-N 1 2 282.344 -1.468 20 0 CAADLO C[C@]1(C(=O)N2CCC[N@@H+](CC(N)=O)CC2)CCNC1=O ZINC000981945220 656109276 /nfs/dbraw/zinc/10/92/76/656109276.db2.gz IEAFYGHFOXMQAO-ZDUSSCGKSA-N 1 2 282.344 -1.468 20 0 CAADLO NC(=O)C[N@@H+]1CCCN(C(=O)[C@H]2C[C@H]2C(N)=O)CC1 ZINC000981972256 656109296 /nfs/dbraw/zinc/10/92/96/656109296.db2.gz PNCMCSVWJJUMOM-BDAKNGLRSA-N 1 2 268.317 -1.873 20 0 CAADLO NC(=O)C[N@H+]1CCCN(C(=O)[C@H]2C[C@H]2C(N)=O)CC1 ZINC000981972256 656109298 /nfs/dbraw/zinc/10/92/98/656109298.db2.gz PNCMCSVWJJUMOM-BDAKNGLRSA-N 1 2 268.317 -1.873 20 0 CAADLO NC(=O)C(=O)N1CC2(C1)CCC[N@H+](Cc1cnon1)C2 ZINC000981978864 656109460 /nfs/dbraw/zinc/10/94/60/656109460.db2.gz IQVYYZMTIOQDMN-UHFFFAOYSA-N 1 2 279.300 -1.021 20 0 CAADLO NC(=O)C(=O)N1CC2(C1)CCC[N@@H+](Cc1cnon1)C2 ZINC000981978864 656109463 /nfs/dbraw/zinc/10/94/63/656109463.db2.gz IQVYYZMTIOQDMN-UHFFFAOYSA-N 1 2 279.300 -1.021 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CCC[C@@H]1CNC(=O)c1cnn(C)n1 ZINC001028198632 656109823 /nfs/dbraw/zinc/10/98/23/656109823.db2.gz MKXZRGWKCDPSFE-RKDXNWHRSA-N 1 2 280.332 -1.117 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CCC[C@@H]1CNC(=O)c1cnn(C)n1 ZINC001028198632 656109825 /nfs/dbraw/zinc/10/98/25/656109825.db2.gz MKXZRGWKCDPSFE-RKDXNWHRSA-N 1 2 280.332 -1.117 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cnon1 ZINC001028213927 656110002 /nfs/dbraw/zinc/11/00/02/656110002.db2.gz OBTSIRBXGZCWQP-SSDOTTSWSA-N 1 2 253.262 -1.251 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)c1cnon1 ZINC001028213927 656110003 /nfs/dbraw/zinc/11/00/03/656110003.db2.gz OBTSIRBXGZCWQP-SSDOTTSWSA-N 1 2 253.262 -1.251 20 0 CAADLO Cn1ncc(C(=O)NC[C@H]2CCC[N@@H+]2CC(N)=O)n1 ZINC001028198667 656110052 /nfs/dbraw/zinc/11/00/52/656110052.db2.gz NKDXDMHOYWQGTI-MRVPVSSYSA-N 1 2 266.305 -1.505 20 0 CAADLO Cn1ncc(C(=O)NC[C@H]2CCC[N@H+]2CC(N)=O)n1 ZINC001028198667 656110055 /nfs/dbraw/zinc/11/00/55/656110055.db2.gz NKDXDMHOYWQGTI-MRVPVSSYSA-N 1 2 266.305 -1.505 20 0 CAADLO CNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)c1cnn(C)n1 ZINC001028198402 656110160 /nfs/dbraw/zinc/11/01/60/656110160.db2.gz GWMKKWGEEDJSHB-VIFPVBQESA-N 1 2 280.332 -1.245 20 0 CAADLO CNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)c1cnn(C)n1 ZINC001028198402 656110164 /nfs/dbraw/zinc/11/01/64/656110164.db2.gz GWMKKWGEEDJSHB-VIFPVBQESA-N 1 2 280.332 -1.245 20 0 CAADLO NC(=O)C[N@@H+]1CCCN(C(=O)CN2CC(=O)NC2=O)CC1 ZINC000982226980 656110809 /nfs/dbraw/zinc/11/08/09/656110809.db2.gz CNPRBJFJGYPOMZ-UHFFFAOYSA-N 1 2 297.315 -2.442 20 0 CAADLO NC(=O)C[N@H+]1CCCN(C(=O)CN2CC(=O)NC2=O)CC1 ZINC000982226980 656110813 /nfs/dbraw/zinc/11/08/13/656110813.db2.gz CNPRBJFJGYPOMZ-UHFFFAOYSA-N 1 2 297.315 -2.442 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CCCN(C(=O)c2nc[nH]n2)CC1 ZINC000982275061 656110829 /nfs/dbraw/zinc/11/08/29/656110829.db2.gz DFIUKTPVJOPPEQ-QMMMGPOBSA-N 1 2 266.305 -1.174 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CCCN(C(=O)c2nc[nH]n2)CC1 ZINC000982275061 656110830 /nfs/dbraw/zinc/11/08/30/656110830.db2.gz DFIUKTPVJOPPEQ-QMMMGPOBSA-N 1 2 266.305 -1.174 20 0 CAADLO Cn1ncc(C(=O)N2CCC[N@@H+]([C@@H]3CCNC3=O)CC2)n1 ZINC000982205241 656111041 /nfs/dbraw/zinc/11/10/41/656111041.db2.gz JJVVCZFYSHQDCY-LLVKDONJSA-N 1 2 292.343 -1.149 20 0 CAADLO Cn1ncc(C(=O)N2CCC[N@H+]([C@@H]3CCNC3=O)CC2)n1 ZINC000982205241 656111042 /nfs/dbraw/zinc/11/10/42/656111042.db2.gz JJVVCZFYSHQDCY-LLVKDONJSA-N 1 2 292.343 -1.149 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CCCN(C(=O)c2nc[nH]n2)CC1 ZINC000982275060 656111106 /nfs/dbraw/zinc/11/11/06/656111106.db2.gz DFIUKTPVJOPPEQ-MRVPVSSYSA-N 1 2 266.305 -1.174 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CCCN(C(=O)c2nc[nH]n2)CC1 ZINC000982275060 656111108 /nfs/dbraw/zinc/11/11/08/656111108.db2.gz DFIUKTPVJOPPEQ-MRVPVSSYSA-N 1 2 266.305 -1.174 20 0 CAADLO NC(=O)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2cnco2)C1 ZINC000958290918 656111191 /nfs/dbraw/zinc/11/11/91/656111191.db2.gz IPDOILFEOCFJJO-SFYZADRCSA-N 1 2 268.273 -1.818 20 0 CAADLO NC(=O)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2cnco2)C1 ZINC000958290918 656111192 /nfs/dbraw/zinc/11/11/92/656111192.db2.gz IPDOILFEOCFJJO-SFYZADRCSA-N 1 2 268.273 -1.818 20 0 CAADLO O=C(c1nc[nH]n1)N1CCC[N@@H+]([C@H]2CCNC2=O)CC1 ZINC000982283988 656111421 /nfs/dbraw/zinc/11/14/21/656111421.db2.gz BFVBIIPKJUABBT-VIFPVBQESA-N 1 2 278.316 -1.159 20 0 CAADLO O=C(c1nc[nH]n1)N1CCC[N@H+]([C@H]2CCNC2=O)CC1 ZINC000982283988 656111422 /nfs/dbraw/zinc/11/14/22/656111422.db2.gz BFVBIIPKJUABBT-VIFPVBQESA-N 1 2 278.316 -1.159 20 0 CAADLO Cc1c(C(=O)N[C@H]2CC[N@@H+]([C@H](C)C(N)=O)C2)nnn1C ZINC001010424809 656111853 /nfs/dbraw/zinc/11/18/53/656111853.db2.gz QOUIHODJLNAZDY-BDAKNGLRSA-N 1 2 280.332 -1.199 20 0 CAADLO Cc1c(C(=O)N[C@H]2CC[N@H+]([C@H](C)C(N)=O)C2)nnn1C ZINC001010424809 656111856 /nfs/dbraw/zinc/11/18/56/656111856.db2.gz QOUIHODJLNAZDY-BDAKNGLRSA-N 1 2 280.332 -1.199 20 0 CAADLO Cc1c(C(=O)N[C@@H]2CC[N@@H+]([C@H](C)C(N)=O)C2)nnn1C ZINC001010424812 656111949 /nfs/dbraw/zinc/11/19/49/656111949.db2.gz QOUIHODJLNAZDY-RKDXNWHRSA-N 1 2 280.332 -1.199 20 0 CAADLO Cc1c(C(=O)N[C@@H]2CC[N@H+]([C@H](C)C(N)=O)C2)nnn1C ZINC001010424812 656111952 /nfs/dbraw/zinc/11/19/52/656111952.db2.gz QOUIHODJLNAZDY-RKDXNWHRSA-N 1 2 280.332 -1.199 20 0 CAADLO CNC(=O)CN1CC[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001010428863 656112010 /nfs/dbraw/zinc/11/20/10/656112010.db2.gz RDODYZGQSZFAOQ-WDEREUQCSA-N 1 2 284.360 -1.747 20 0 CAADLO CNC(=O)CN1CC[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001010428863 656112015 /nfs/dbraw/zinc/11/20/15/656112015.db2.gz RDODYZGQSZFAOQ-WDEREUQCSA-N 1 2 284.360 -1.747 20 0 CAADLO Cc1c(C(=O)N[C@@H]2CC[N@@H+]([C@H]3CCNC3=O)C2)nnn1C ZINC001010416606 656112076 /nfs/dbraw/zinc/11/20/76/656112076.db2.gz VHWFYEUACHEODT-ZJUUUORDSA-N 1 2 292.343 -1.184 20 0 CAADLO Cc1c(C(=O)N[C@@H]2CC[N@H+]([C@H]3CCNC3=O)C2)nnn1C ZINC001010416606 656112079 /nfs/dbraw/zinc/11/20/79/656112079.db2.gz VHWFYEUACHEODT-ZJUUUORDSA-N 1 2 292.343 -1.184 20 0 CAADLO Cc1c(C(=O)N[C@@H]2CC[N@@H+]([C@@H]3CCNC3=O)C2)nnn1C ZINC001010416601 656112095 /nfs/dbraw/zinc/11/20/95/656112095.db2.gz VHWFYEUACHEODT-NXEZZACHSA-N 1 2 292.343 -1.184 20 0 CAADLO Cc1c(C(=O)N[C@@H]2CC[N@H+]([C@@H]3CCNC3=O)C2)nnn1C ZINC001010416601 656112097 /nfs/dbraw/zinc/11/20/97/656112097.db2.gz VHWFYEUACHEODT-NXEZZACHSA-N 1 2 292.343 -1.184 20 0 CAADLO Cc1c(C(=O)N[C@H]2CC[N@@H+]([C@@H](C)C(N)=O)C2)nnn1C ZINC001010424811 656112114 /nfs/dbraw/zinc/11/21/14/656112114.db2.gz QOUIHODJLNAZDY-IUCAKERBSA-N 1 2 280.332 -1.199 20 0 CAADLO Cc1c(C(=O)N[C@H]2CC[N@H+]([C@@H](C)C(N)=O)C2)nnn1C ZINC001010424811 656112116 /nfs/dbraw/zinc/11/21/16/656112116.db2.gz QOUIHODJLNAZDY-IUCAKERBSA-N 1 2 280.332 -1.199 20 0 CAADLO CNC(=O)CN1CC[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001010428855 656112163 /nfs/dbraw/zinc/11/21/63/656112163.db2.gz RDODYZGQSZFAOQ-MNOVXSKESA-N 1 2 284.360 -1.747 20 0 CAADLO CNC(=O)CN1CC[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001010428855 656112164 /nfs/dbraw/zinc/11/21/64/656112164.db2.gz RDODYZGQSZFAOQ-MNOVXSKESA-N 1 2 284.360 -1.747 20 0 CAADLO C[C@H]1[C@@H](NC(=O)Cn2cc[nH+]c2)CCN1C(=O)C(N)=O ZINC001012024111 656116849 /nfs/dbraw/zinc/11/68/49/656116849.db2.gz XIVTZUVLWGDPAQ-IUCAKERBSA-N 1 2 279.300 -1.526 20 0 CAADLO O=C(NC[C@@H]1CC[N@H+](Cc2cnon2)C1)[C@H]1CNC(=O)N1 ZINC001028774387 656121248 /nfs/dbraw/zinc/12/12/48/656121248.db2.gz WHWOQMTWANRGOM-WCBMZHEXSA-N 1 2 294.315 -1.311 20 0 CAADLO O=C(NC[C@@H]1CC[N@@H+](Cc2cnon2)C1)[C@H]1CNC(=O)N1 ZINC001028774387 656121252 /nfs/dbraw/zinc/12/12/52/656121252.db2.gz WHWOQMTWANRGOM-WCBMZHEXSA-N 1 2 294.315 -1.311 20 0 CAADLO O=C(NC[C@H]1CC[N@H+](Cc2cnon2)C1)[C@@H]1CNC(=O)N1 ZINC001028774386 656121733 /nfs/dbraw/zinc/12/17/33/656121733.db2.gz WHWOQMTWANRGOM-SCZZXKLOSA-N 1 2 294.315 -1.311 20 0 CAADLO O=C(NC[C@H]1CC[N@@H+](Cc2cnon2)C1)[C@@H]1CNC(=O)N1 ZINC001028774386 656121736 /nfs/dbraw/zinc/12/17/36/656121736.db2.gz WHWOQMTWANRGOM-SCZZXKLOSA-N 1 2 294.315 -1.311 20 0 CAADLO O=C(NC[C@@H]1CC[N@H+](Cc2cnon2)C1)[C@@H]1CNC(=O)N1 ZINC001028774388 656121795 /nfs/dbraw/zinc/12/17/95/656121795.db2.gz WHWOQMTWANRGOM-WPRPVWTQSA-N 1 2 294.315 -1.311 20 0 CAADLO O=C(NC[C@@H]1CC[N@@H+](Cc2cnon2)C1)[C@@H]1CNC(=O)N1 ZINC001028774388 656121797 /nfs/dbraw/zinc/12/17/97/656121797.db2.gz WHWOQMTWANRGOM-WPRPVWTQSA-N 1 2 294.315 -1.311 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CC[C@H](CNC(=O)c2nc[nH]n2)C1 ZINC001028877034 656122881 /nfs/dbraw/zinc/12/28/81/656122881.db2.gz NAYZCTRQBXDDEV-JGVFFNPUSA-N 1 2 266.305 -1.270 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CC[C@H](CNC(=O)c2nc[nH]n2)C1 ZINC001028877034 656122883 /nfs/dbraw/zinc/12/28/83/656122883.db2.gz NAYZCTRQBXDDEV-JGVFFNPUSA-N 1 2 266.305 -1.270 20 0 CAADLO COC(=O)[C@@H]1CC[N@H+](CN2C(=O)C(=O)N(C)C2=O)C1 ZINC000048621846 656124266 /nfs/dbraw/zinc/12/42/66/656124266.db2.gz RRAIPLSSLRSFDV-SSDOTTSWSA-N 1 2 269.257 -1.141 20 0 CAADLO COC(=O)[C@@H]1CC[N@@H+](CN2C(=O)C(=O)N(C)C2=O)C1 ZINC000048621846 656124267 /nfs/dbraw/zinc/12/42/67/656124267.db2.gz RRAIPLSSLRSFDV-SSDOTTSWSA-N 1 2 269.257 -1.141 20 0 CAADLO NC(=O)C(=O)N[C@@H]1CCC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000983700128 656124605 /nfs/dbraw/zinc/12/46/05/656124605.db2.gz WCBBIBBVCWVGNV-RKDXNWHRSA-N 1 2 293.327 -1.019 20 0 CAADLO NC(=O)C(=O)N[C@H]1CCC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000983700123 656124899 /nfs/dbraw/zinc/12/48/99/656124899.db2.gz WCBBIBBVCWVGNV-BDAKNGLRSA-N 1 2 293.327 -1.019 20 0 CAADLO NC(=O)C[N@@H+]1CCCN(C(=O)C2=COCCO2)CC1 ZINC000049090348 656125546 /nfs/dbraw/zinc/12/55/46/656125546.db2.gz ZFAHDYCABWADGR-UHFFFAOYSA-N 1 2 269.301 -1.106 20 0 CAADLO NC(=O)C[N@H+]1CCCN(C(=O)C2=COCCO2)CC1 ZINC000049090348 656125548 /nfs/dbraw/zinc/12/55/48/656125548.db2.gz ZFAHDYCABWADGR-UHFFFAOYSA-N 1 2 269.301 -1.106 20 0 CAADLO NC(=O)CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC(N)=O ZINC001029248666 656125799 /nfs/dbraw/zinc/12/57/99/656125799.db2.gz GCCJOTRITBPCCA-OCAPTIKFSA-N 1 2 254.290 -1.978 20 0 CAADLO NC(=O)CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(N)=O ZINC001029248666 656125803 /nfs/dbraw/zinc/12/58/03/656125803.db2.gz GCCJOTRITBPCCA-OCAPTIKFSA-N 1 2 254.290 -1.978 20 0 CAADLO NC(=O)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)Cn1cc[nH+]c1 ZINC000937506624 656126465 /nfs/dbraw/zinc/12/64/65/656126465.db2.gz ILDMGBMRZSPKRL-IUCAKERBSA-N 1 2 277.284 -1.820 20 0 CAADLO Cn1nnnc1C[NH2+]C[C@H]1C[C@H](NC(=O)c2cnn[nH]2)C1 ZINC000984148934 656127978 /nfs/dbraw/zinc/12/79/78/656127978.db2.gz PBRNYSUCMUHUMZ-ZKCHVHJHSA-N 1 2 291.319 -1.374 20 0 CAADLO NC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCN1CCNC1=O ZINC001029449732 656128532 /nfs/dbraw/zinc/12/85/32/656128532.db2.gz FVKHYSDHTYXMIS-AOOOYVTPSA-N 1 2 295.343 -1.828 20 0 CAADLO NC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCN1CCNC1=O ZINC001029449732 656128534 /nfs/dbraw/zinc/12/85/34/656128534.db2.gz FVKHYSDHTYXMIS-AOOOYVTPSA-N 1 2 295.343 -1.828 20 0 CAADLO COC(=O)[C@@](C)(CO)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000909587353 656131645 /nfs/dbraw/zinc/13/16/45/656131645.db2.gz VZKNQPGPZWSPTC-GZMMTYOYSA-N 1 2 260.290 -1.643 20 0 CAADLO COC(=O)[C@@](C)(CO)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000909587353 656131648 /nfs/dbraw/zinc/13/16/48/656131648.db2.gz VZKNQPGPZWSPTC-GZMMTYOYSA-N 1 2 260.290 -1.643 20 0 CAADLO COC(=O)[C@](C)(CO)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000909587354 656131751 /nfs/dbraw/zinc/13/17/51/656131751.db2.gz VZKNQPGPZWSPTC-KCJUWKMLSA-N 1 2 260.290 -1.643 20 0 CAADLO COC(=O)[C@](C)(CO)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000909587354 656131755 /nfs/dbraw/zinc/13/17/55/656131755.db2.gz VZKNQPGPZWSPTC-KCJUWKMLSA-N 1 2 260.290 -1.643 20 0 CAADLO COC(=O)[C@@](C)(CO)NC(=O)/C=C\C[NH+]1CCOCC1 ZINC000909589491 656131775 /nfs/dbraw/zinc/13/17/75/656131775.db2.gz IBCMPJJBNYKRQR-DHCBQETCSA-N 1 2 286.328 -1.085 20 0 CAADLO COC(=O)[C@](C)(CO)NC(=O)/C=C\C[NH+]1CCOCC1 ZINC000909589494 656132125 /nfs/dbraw/zinc/13/21/25/656132125.db2.gz IBCMPJJBNYKRQR-SCOBNMCVSA-N 1 2 286.328 -1.085 20 0 CAADLO Cn1nnnc1C[N@H+](C)C[C@H]1CCN(C(=O)CC(N)=O)C1 ZINC001029684250 656132409 /nfs/dbraw/zinc/13/24/09/656132409.db2.gz QJVQBARQVWSKOF-SECBINFHSA-N 1 2 295.347 -1.634 20 0 CAADLO Cn1nnnc1C[N@@H+](C)C[C@H]1CCN(C(=O)CC(N)=O)C1 ZINC001029684250 656132414 /nfs/dbraw/zinc/13/24/14/656132414.db2.gz QJVQBARQVWSKOF-SECBINFHSA-N 1 2 295.347 -1.634 20 0 CAADLO Cn1cnnc1C[N@H+](C)C[C@H]1CCN(C(=O)CC(N)=O)C1 ZINC001029683881 656132434 /nfs/dbraw/zinc/13/24/34/656132434.db2.gz GVXLOKOXAOKEFU-SNVBAGLBSA-N 1 2 294.359 -1.029 20 0 CAADLO Cn1cnnc1C[N@@H+](C)C[C@H]1CCN(C(=O)CC(N)=O)C1 ZINC001029683881 656132437 /nfs/dbraw/zinc/13/24/37/656132437.db2.gz GVXLOKOXAOKEFU-SNVBAGLBSA-N 1 2 294.359 -1.029 20 0 CAADLO Cn1ncnc1C[N@H+](C)C[C@@H]1CCN(C(=O)CC(N)=O)C1 ZINC001029681447 656132581 /nfs/dbraw/zinc/13/25/81/656132581.db2.gz KBQDVSVRHRLGLZ-JTQLQIEISA-N 1 2 294.359 -1.029 20 0 CAADLO Cn1ncnc1C[N@@H+](C)C[C@@H]1CCN(C(=O)CC(N)=O)C1 ZINC001029681447 656132585 /nfs/dbraw/zinc/13/25/85/656132585.db2.gz KBQDVSVRHRLGLZ-JTQLQIEISA-N 1 2 294.359 -1.029 20 0 CAADLO Cn1nnnc1C[N@H+](C)C[C@H]1CCN(C(=O)C(N)=O)C1 ZINC001029820340 656133397 /nfs/dbraw/zinc/13/33/97/656133397.db2.gz BTRUJVQOGQEPFP-MRVPVSSYSA-N 1 2 281.320 -2.024 20 0 CAADLO Cn1nnnc1C[N@@H+](C)C[C@H]1CCN(C(=O)C(N)=O)C1 ZINC001029820340 656133400 /nfs/dbraw/zinc/13/34/00/656133400.db2.gz BTRUJVQOGQEPFP-MRVPVSSYSA-N 1 2 281.320 -2.024 20 0 CAADLO Cc1nnc(C[N@H+](C)C[C@H]2CCN(C(=O)C(N)=O)C2)[nH]1 ZINC001029822305 656133591 /nfs/dbraw/zinc/13/35/91/656133591.db2.gz BQIGWKKFMCFOOW-SECBINFHSA-N 1 2 280.332 -1.121 20 0 CAADLO Cc1nnc(C[N@@H+](C)C[C@H]2CCN(C(=O)C(N)=O)C2)[nH]1 ZINC001029822305 656133592 /nfs/dbraw/zinc/13/35/92/656133592.db2.gz BQIGWKKFMCFOOW-SECBINFHSA-N 1 2 280.332 -1.121 20 0 CAADLO C[N@H+](CC(N)=O)C1CCN(C(=O)Cc2ncn[nH]2)CC1 ZINC000985743268 656134438 /nfs/dbraw/zinc/13/44/38/656134438.db2.gz MLPCEOTVWTWGDY-UHFFFAOYSA-N 1 2 280.332 -1.245 20 0 CAADLO C[N@@H+](CC(N)=O)C1CCN(C(=O)Cc2ncn[nH]2)CC1 ZINC000985743268 656134442 /nfs/dbraw/zinc/13/44/42/656134442.db2.gz MLPCEOTVWTWGDY-UHFFFAOYSA-N 1 2 280.332 -1.245 20 0 CAADLO COCC(=O)N1CC[C@H]([NH2+]Cc2nnn(C)n2)[C@H]1C ZINC000985834350 656134806 /nfs/dbraw/zinc/13/48/06/656134806.db2.gz UYPSHHPGUDEOJD-BDAKNGLRSA-N 1 2 268.321 -1.065 20 0 CAADLO C[N@@H+]1CCO[C@H](C(=O)NC(C)(C)CNS(C)(=O)=O)C1 ZINC000928859168 656134842 /nfs/dbraw/zinc/13/48/42/656134842.db2.gz ALEBSFIGXSWFIH-VIFPVBQESA-N 1 2 293.389 -1.239 20 0 CAADLO C[N@H+]1CCO[C@H](C(=O)NC(C)(C)CNS(C)(=O)=O)C1 ZINC000928859168 656134844 /nfs/dbraw/zinc/13/48/44/656134844.db2.gz ALEBSFIGXSWFIH-VIFPVBQESA-N 1 2 293.389 -1.239 20 0 CAADLO C[C@H]1C[C@H](NC(=O)C(N)=O)CN1C(=O)Cn1cc[nH+]c1 ZINC001013050661 656136447 /nfs/dbraw/zinc/13/64/47/656136447.db2.gz SONROBSUWCRYRI-IUCAKERBSA-N 1 2 279.300 -1.526 20 0 CAADLO C[C@H]1[C@@H]([NH2+]Cc2nnn(C)n2)CCN1C(=O)c1cn[nH]n1 ZINC000986458599 656137152 /nfs/dbraw/zinc/13/71/52/656137152.db2.gz YEVAHURNFALACN-YUMQZZPRSA-N 1 2 291.319 -1.279 20 0 CAADLO Cc1noc(C[NH2+][C@@H]2CCN(C(=O)C(N)=O)[C@@H]2C)n1 ZINC000986777473 656137836 /nfs/dbraw/zinc/13/78/36/656137836.db2.gz HXTIVWCKSBRUBJ-HTRCEHHLSA-N 1 2 267.289 -1.058 20 0 CAADLO Cc1nnc(C[NH2+][C@@H]2CCN(C(=O)C(N)=O)[C@H]2C)o1 ZINC000986773908 656137929 /nfs/dbraw/zinc/13/79/29/656137929.db2.gz AGLLULCRTWLJDK-POYBYMJQSA-N 1 2 267.289 -1.058 20 0 CAADLO C[C@H]1[C@H]([NH2+]Cc2nc(=O)n(C)[nH]2)CCN1C(=O)C(N)=O ZINC000986779412 656137996 /nfs/dbraw/zinc/13/79/96/656137996.db2.gz MXALMYADWZWVNR-NKWVEPMBSA-N 1 2 282.304 -2.327 20 0 CAADLO Cc1nnc(C[NH2+][C@@H]2CCN(C(=O)C(N)=O)[C@@H]2C)o1 ZINC000986773907 656138063 /nfs/dbraw/zinc/13/80/63/656138063.db2.gz AGLLULCRTWLJDK-HTRCEHHLSA-N 1 2 267.289 -1.058 20 0 CAADLO C[C@@H]1[C@H]([NH2+]Cc2cnon2)CCN1C(=O)C(N)=O ZINC000986791449 656138097 /nfs/dbraw/zinc/13/80/97/656138097.db2.gz DYDLDGMBXIVYLV-HTRCEHHLSA-N 1 2 253.262 -1.366 20 0 CAADLO Cc1nonc1C[NH2+][C@@H]1CCN(C(=O)C(N)=O)[C@@H]1C ZINC000986784118 656138474 /nfs/dbraw/zinc/13/84/74/656138474.db2.gz XKPSSKUVWMPRNF-HTQZYQBOSA-N 1 2 267.289 -1.058 20 0 CAADLO Cc1nonc1C[NH2+][C@H]1CCN(C(=O)C(N)=O)[C@H]1C ZINC000986784126 656138749 /nfs/dbraw/zinc/13/87/49/656138749.db2.gz XKPSSKUVWMPRNF-YUMQZZPRSA-N 1 2 267.289 -1.058 20 0 CAADLO Cc1nonc1C[NH2+][C@H]1CCN(C(=O)C(N)=O)[C@@H]1C ZINC000986784122 656138822 /nfs/dbraw/zinc/13/88/22/656138822.db2.gz XKPSSKUVWMPRNF-SFYZADRCSA-N 1 2 267.289 -1.058 20 0 CAADLO COCC(=O)N1C[C@@H]([NH2+]Cc2nc(=O)n(C)[nH]2)C[C@@H]1C ZINC000987655402 656141106 /nfs/dbraw/zinc/14/11/06/656141106.db2.gz LGCUXSWVOVCPRU-IUCAKERBSA-N 1 2 283.332 -1.166 20 0 CAADLO COCC(=O)N1C[C@@H]([NH2+]Cc2nc(=O)n(C)[nH]2)C[C@H]1C ZINC000987655395 656141410 /nfs/dbraw/zinc/14/14/10/656141410.db2.gz LGCUXSWVOVCPRU-BDAKNGLRSA-N 1 2 283.332 -1.166 20 0 CAADLO C[C@@H]1C[C@H](NC(=O)Cc2c[nH+]cn2C)CN1C(=O)C(N)=O ZINC001013959308 656141786 /nfs/dbraw/zinc/14/17/86/656141786.db2.gz ODBGQECXOUTRRC-BDAKNGLRSA-N 1 2 293.327 -1.447 20 0 CAADLO C[C@H]1C[C@H](NC(=O)Cc2c[nH+]cn2C)CN1C(=O)C(N)=O ZINC001013959311 656141828 /nfs/dbraw/zinc/14/18/28/656141828.db2.gz ODBGQECXOUTRRC-IUCAKERBSA-N 1 2 293.327 -1.447 20 0 CAADLO C[C@@H]1C[C@H](NC(=O)Cc2[nH]cc[nH+]2)CN1C(=O)C(N)=O ZINC001013965183 656142188 /nfs/dbraw/zinc/14/21/88/656142188.db2.gz FKHGDSIKVPHVSQ-SFYZADRCSA-N 1 2 279.300 -1.457 20 0 CAADLO C[C@H]1C[C@@H](NC(=O)Cc2[nH]cc[nH+]2)CN1C(=O)C(N)=O ZINC001013965182 656142491 /nfs/dbraw/zinc/14/24/91/656142491.db2.gz FKHGDSIKVPHVSQ-JGVFFNPUSA-N 1 2 279.300 -1.457 20 0 CAADLO NC(=O)C(=O)N[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000951253162 656143298 /nfs/dbraw/zinc/14/32/98/656143298.db2.gz SEDWRKMLYGOPFK-SECBINFHSA-N 1 2 279.300 -1.524 20 0 CAADLO C[C@@H]1[C@@H](NC(=O)Cn2cc[nH+]c2)CCN1C(=O)CC(N)=O ZINC000988772603 656145669 /nfs/dbraw/zinc/14/56/69/656145669.db2.gz OISJJCJXXZSVRJ-ZJUUUORDSA-N 1 2 293.327 -1.136 20 0 CAADLO C[C@@H]1[C@@H](NC(=O)Cc2c[nH+]cn2C)CCN1C(=O)C(N)=O ZINC000989049724 656147191 /nfs/dbraw/zinc/14/71/91/656147191.db2.gz DGSDHUPGCQLXPE-SCZZXKLOSA-N 1 2 293.327 -1.447 20 0 CAADLO Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CCN(C(=O)C(N)=O)[C@@H]1C ZINC000989190119 656147873 /nfs/dbraw/zinc/14/78/73/656147873.db2.gz BSLVBVJSRGNYDS-BDAKNGLRSA-N 1 2 293.327 -1.148 20 0 CAADLO C[C@@H]1C[C@H]([NH2+]Cc2nc(=O)n(C)[nH]2)CN1C(=O)C(N)=O ZINC000989383680 656148827 /nfs/dbraw/zinc/14/88/27/656148827.db2.gz KECKJJUAYQSNGW-RQJHMYQMSA-N 1 2 282.304 -2.327 20 0 CAADLO C[C@H]1C[C@H]([NH2+]Cc2ncnn2C)CN1C(=O)C(N)=O ZINC000989378880 656148903 /nfs/dbraw/zinc/14/89/03/656148903.db2.gz CYMKEXUUVRSJTF-YUMQZZPRSA-N 1 2 266.305 -1.621 20 0 CAADLO C[C@H]1C[C@@H]([NH2+]Cc2cnn(C)n2)CN1C(=O)C(N)=O ZINC000989384600 656148926 /nfs/dbraw/zinc/14/89/26/656148926.db2.gz OTCYLQGYDSRZJY-JGVFFNPUSA-N 1 2 266.305 -1.621 20 0 CAADLO C[C@@H]1C[C@H]([NH2+]Cc2nnnn2C2CC2)CN1C(=O)C(N)=O ZINC000989380834 656148987 /nfs/dbraw/zinc/14/89/87/656148987.db2.gz QFELGZSRTFCEIG-SFYZADRCSA-N 1 2 293.331 -1.428 20 0 CAADLO C[C@H]1C[C@@H]([NH2+]Cc2ncnn2CCF)CN1C(=O)C(N)=O ZINC000989382485 656149027 /nfs/dbraw/zinc/14/90/27/656149027.db2.gz FFAGAHFHYFKSOR-DTWKUNHWSA-N 1 2 298.322 -1.188 20 0 CAADLO C[C@@H]1C[C@H]([NH2+]Cc2ncnn2C)CN1C(=O)C(N)=O ZINC000989378878 656149042 /nfs/dbraw/zinc/14/90/42/656149042.db2.gz CYMKEXUUVRSJTF-SFYZADRCSA-N 1 2 266.305 -1.621 20 0 CAADLO Cc1noc(C[NH2+][C@@H]2C[C@@H](C)N(C(=O)C(N)=O)C2)n1 ZINC000989380032 656149068 /nfs/dbraw/zinc/14/90/68/656149068.db2.gz AGHLIDZOZAWRPX-HTRCEHHLSA-N 1 2 267.289 -1.058 20 0 CAADLO CCn1ncc(C[NH2+][C@H]2C[C@@H](C)N(C(=O)C(N)=O)C2)n1 ZINC000989379719 656149073 /nfs/dbraw/zinc/14/90/73/656149073.db2.gz IOBHEESJDHGVBS-BDAKNGLRSA-N 1 2 280.332 -1.138 20 0 CAADLO C[C@H]1C[C@H]([NH2+]Cc2ncnn2CCF)CN1C(=O)C(N)=O ZINC000989382486 656149163 /nfs/dbraw/zinc/14/91/63/656149163.db2.gz FFAGAHFHYFKSOR-IUCAKERBSA-N 1 2 298.322 -1.188 20 0 CAADLO C[C@@H]1C[C@H]([NH2+]Cc2nnnn2C)CN1C(=O)C(N)=O ZINC000989384873 656149204 /nfs/dbraw/zinc/14/92/04/656149204.db2.gz QCJNEPIZCUQRSK-RQJHMYQMSA-N 1 2 267.293 -2.226 20 0 CAADLO C[C@@H]1C[C@H]([NH2+]Cc2cnon2)CN1C(=O)C(N)=O ZINC000989398849 656149425 /nfs/dbraw/zinc/14/94/25/656149425.db2.gz QCGCUXDAIQXTEL-RQJHMYQMSA-N 1 2 253.262 -1.366 20 0 CAADLO Cc1nonc1C[NH2+][C@@H]1C[C@H](C)N(C(=O)C(N)=O)C1 ZINC000989387193 656149430 /nfs/dbraw/zinc/14/94/30/656149430.db2.gz XAWLMTUDJYVIRV-POYBYMJQSA-N 1 2 267.289 -1.058 20 0 CAADLO CC(C)n1nnnc1C[NH2+][C@H]1C[C@H](C)N(C(=O)C(N)=O)C1 ZINC000989382958 656149454 /nfs/dbraw/zinc/14/94/54/656149454.db2.gz HUFVMQUXSAODRB-IUCAKERBSA-N 1 2 295.347 -1.182 20 0 CAADLO Cc1nonc1C[NH2+][C@H]1C[C@H](C)N(C(=O)C(N)=O)C1 ZINC000989387198 656149641 /nfs/dbraw/zinc/14/96/41/656149641.db2.gz XAWLMTUDJYVIRV-XPUUQOCRSA-N 1 2 267.289 -1.058 20 0 CAADLO CCn1nncc1C(=O)N[C@H]1CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001014368433 656149671 /nfs/dbraw/zinc/14/96/71/656149671.db2.gz IBMMERRODQOHEG-UWVGGRQHSA-N 1 2 292.343 -1.009 20 0 CAADLO CCn1nncc1C(=O)N[C@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001014368433 656149672 /nfs/dbraw/zinc/14/96/72/656149672.db2.gz IBMMERRODQOHEG-UWVGGRQHSA-N 1 2 292.343 -1.009 20 0 CAADLO CCn1nncc1C(=O)N[C@@H]1CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001014368444 656149675 /nfs/dbraw/zinc/14/96/75/656149675.db2.gz IBMMERRODQOHEG-ZJUUUORDSA-N 1 2 292.343 -1.009 20 0 CAADLO CCn1nncc1C(=O)N[C@@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001014368444 656149677 /nfs/dbraw/zinc/14/96/77/656149677.db2.gz IBMMERRODQOHEG-ZJUUUORDSA-N 1 2 292.343 -1.009 20 0 CAADLO CCn1nncc1C(=O)N[C@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001014368437 656149688 /nfs/dbraw/zinc/14/96/88/656149688.db2.gz IBMMERRODQOHEG-VHSXEESVSA-N 1 2 292.343 -1.009 20 0 CAADLO CCn1nncc1C(=O)N[C@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001014368437 656149689 /nfs/dbraw/zinc/14/96/89/656149689.db2.gz IBMMERRODQOHEG-VHSXEESVSA-N 1 2 292.343 -1.009 20 0 CAADLO Cc1nonc1C[NH2+][C@H]1C[C@@H](C)N(C(=O)C(N)=O)C1 ZINC000989387196 656149727 /nfs/dbraw/zinc/14/97/27/656149727.db2.gz XAWLMTUDJYVIRV-SVRRBLITSA-N 1 2 267.289 -1.058 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CCCN(C(=O)Cc2nnc[nH]2)CC1 ZINC000989451937 656149897 /nfs/dbraw/zinc/14/98/97/656149897.db2.gz OKZZNZGQCVDMJV-SECBINFHSA-N 1 2 280.332 -1.245 20 0 CAADLO O=C([C@@H]1CCC(=O)N1)N1CCC[N@@H+]([C@H]2CCNC2=O)CC1 ZINC000989516655 656150200 /nfs/dbraw/zinc/15/02/00/656150200.db2.gz COIGHFSZQCSFGN-QWRGUYRKSA-N 1 2 294.355 -1.312 20 0 CAADLO O=C([C@@H]1CCC(=O)N1)N1CCC[N@H+]([C@H]2CCNC2=O)CC1 ZINC000989516655 656150202 /nfs/dbraw/zinc/15/02/02/656150202.db2.gz COIGHFSZQCSFGN-QWRGUYRKSA-N 1 2 294.355 -1.312 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CCCN(C(=O)Cc2nnc[nH]2)CC1 ZINC000989451938 656150281 /nfs/dbraw/zinc/15/02/81/656150281.db2.gz OKZZNZGQCVDMJV-VIFPVBQESA-N 1 2 280.332 -1.245 20 0 CAADLO C[C@@H]1[C@@H](NC(=O)C(N)=O)CCN1C(=O)CCc1[nH]cc[nH+]1 ZINC000989587359 656150795 /nfs/dbraw/zinc/15/07/95/656150795.db2.gz DJRBTFGVYLEBAP-BDAKNGLRSA-N 1 2 293.327 -1.067 20 0 CAADLO C[C@@H]1[C@@H](NC(=O)C(N)=O)CCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000989587675 656151003 /nfs/dbraw/zinc/15/10/03/656151003.db2.gz ITFAHTCIIKQPJE-UTLUCORTSA-N 1 2 298.343 -2.092 20 0 CAADLO C[C@@H]1[C@@H](NC(=O)C(N)=O)CCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000989587675 656151007 /nfs/dbraw/zinc/15/10/07/656151007.db2.gz ITFAHTCIIKQPJE-UTLUCORTSA-N 1 2 298.343 -2.092 20 0 CAADLO C[C@@H]1[C@@H](NC(=O)C(N)=O)CCN1C(=O)Cc1c[nH+]c[nH]1 ZINC000989597297 656151072 /nfs/dbraw/zinc/15/10/72/656151072.db2.gz QQPVVAANBPXBDD-APPZFPTMSA-N 1 2 279.300 -1.457 20 0 CAADLO CNC(=O)C[N@@H+]1CCCN(C(=O)Cn2cncn2)CC1 ZINC000989619106 656151783 /nfs/dbraw/zinc/15/17/83/656151783.db2.gz AFHREYQNCWVAJE-UHFFFAOYSA-N 1 2 280.332 -1.442 20 0 CAADLO CNC(=O)C[N@H+]1CCCN(C(=O)Cn2cncn2)CC1 ZINC000989619106 656151784 /nfs/dbraw/zinc/15/17/84/656151784.db2.gz AFHREYQNCWVAJE-UHFFFAOYSA-N 1 2 280.332 -1.442 20 0 CAADLO CN1C[C@H](C(=O)N2CCC[N@H+](CC(N)=O)CC2)CCC1=O ZINC000989745528 656152121 /nfs/dbraw/zinc/15/21/21/656152121.db2.gz RNTNEFAPICLKTR-LLVKDONJSA-N 1 2 296.371 -1.126 20 0 CAADLO CN1C[C@H](C(=O)N2CCC[N@@H+](CC(N)=O)CC2)CCC1=O ZINC000989745528 656152125 /nfs/dbraw/zinc/15/21/25/656152125.db2.gz RNTNEFAPICLKTR-LLVKDONJSA-N 1 2 296.371 -1.126 20 0 CAADLO NC(=O)Cn1cc(C(=O)N2CCC[N@H+](CCF)CC2)nn1 ZINC000989739801 656152447 /nfs/dbraw/zinc/15/24/47/656152447.db2.gz ZLWCYXGSKUEQLH-UHFFFAOYSA-N 1 2 298.322 -1.119 20 0 CAADLO NC(=O)Cn1cc(C(=O)N2CCC[N@@H+](CCF)CC2)nn1 ZINC000989739801 656152451 /nfs/dbraw/zinc/15/24/51/656152451.db2.gz ZLWCYXGSKUEQLH-UHFFFAOYSA-N 1 2 298.322 -1.119 20 0 CAADLO NC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2CCCN2C(N)=O)CC1 ZINC000989795424 656152916 /nfs/dbraw/zinc/15/29/16/656152916.db2.gz KUDMCPKBRAUFQF-JTQLQIEISA-N 1 2 297.359 -1.451 20 0 CAADLO NC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2CCCN2C(N)=O)CC1 ZINC000989795424 656152920 /nfs/dbraw/zinc/15/29/20/656152920.db2.gz KUDMCPKBRAUFQF-JTQLQIEISA-N 1 2 297.359 -1.451 20 0 CAADLO O=C(Cc1[nH]cc[nH+]1)N1CC(NC(=O)[C@H]2COCCO2)C1 ZINC000990281746 656157258 /nfs/dbraw/zinc/15/72/58/656157258.db2.gz IXSMKXOWYLQLDN-SNVBAGLBSA-N 1 2 294.311 -1.305 20 0 CAADLO O=C(Cn1cc[nH+]c1)N1CC(NC(=O)[C@H]2COCCO2)C1 ZINC000990286141 656157692 /nfs/dbraw/zinc/15/76/92/656157692.db2.gz GYOSDKVXCJXMCM-LLVKDONJSA-N 1 2 294.311 -1.375 20 0 CAADLO O=C(Cc1c[nH+]c[nH]1)N1CC(NC(=O)[C@H]2COCCO2)C1 ZINC000990297485 656158080 /nfs/dbraw/zinc/15/80/80/656158080.db2.gz GDHBFQMOZBAOMC-LLVKDONJSA-N 1 2 294.311 -1.305 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC(=O)N(C)C2)C1 ZINC001014616375 656162822 /nfs/dbraw/zinc/16/28/22/656162822.db2.gz KWXKSGYAXPJSTH-VHSXEESVSA-N 1 2 282.344 -1.599 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CC(=O)N(C)C2)C1 ZINC001014616375 656162824 /nfs/dbraw/zinc/16/28/24/656162824.db2.gz KWXKSGYAXPJSTH-VHSXEESVSA-N 1 2 282.344 -1.599 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC(=O)N(C)C2)C1 ZINC001014616376 656162967 /nfs/dbraw/zinc/16/29/67/656162967.db2.gz KWXKSGYAXPJSTH-ZJUUUORDSA-N 1 2 282.344 -1.599 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CC(=O)N(C)C2)C1 ZINC001014616376 656162969 /nfs/dbraw/zinc/16/29/69/656162969.db2.gz KWXKSGYAXPJSTH-ZJUUUORDSA-N 1 2 282.344 -1.599 20 0 CAADLO C[C@H](C(=O)N[C@@H]1CC[N@H+](CC(N)=O)C1)N1C(=O)CCC1=O ZINC001014628959 656163608 /nfs/dbraw/zinc/16/36/08/656163608.db2.gz QLSRIFBKENSSLV-RKDXNWHRSA-N 1 2 296.327 -1.800 20 0 CAADLO C[C@H](C(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C1)N1C(=O)CCC1=O ZINC001014628959 656163610 /nfs/dbraw/zinc/16/36/10/656163610.db2.gz QLSRIFBKENSSLV-RKDXNWHRSA-N 1 2 296.327 -1.800 20 0 CAADLO NC(=O)C(=O)N1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000938181957 656163638 /nfs/dbraw/zinc/16/36/38/656163638.db2.gz ZCJHNMBWZALMGU-DJLDLDEBSA-N 1 2 291.311 -1.284 20 0 CAADLO NC(=O)C(=O)N1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC000938181957 656163639 /nfs/dbraw/zinc/16/36/39/656163639.db2.gz ZCJHNMBWZALMGU-DJLDLDEBSA-N 1 2 291.311 -1.284 20 0 CAADLO CN1CCO[C@H](C(=O)N2CC[NH+](CCO)CC2)C1=O ZINC000900147710 656164956 /nfs/dbraw/zinc/16/49/56/656164956.db2.gz UKOWJSRKMQYBMD-JTQLQIEISA-N 1 2 271.317 -2.020 20 0 CAADLO COC(=O)[C@@H](CO)NC(=O)/C=C(\C)C[NH+]1CCOCC1 ZINC000900100700 656165032 /nfs/dbraw/zinc/16/50/32/656165032.db2.gz IALXIQUHKSABAV-PFEDMVJOSA-N 1 2 286.328 -1.085 20 0 CAADLO CN1CCO[C@@H](C(=O)N2CC[NH+](CCO)CC2)C1=O ZINC000900147711 656165090 /nfs/dbraw/zinc/16/50/90/656165090.db2.gz UKOWJSRKMQYBMD-SNVBAGLBSA-N 1 2 271.317 -2.020 20 0 CAADLO O=C(CN1CCNC(=O)C1)NCCn1cc[nH+]c1 ZINC000900193970 656165655 /nfs/dbraw/zinc/16/56/55/656165655.db2.gz WDQPFWLFRZDDQK-UHFFFAOYSA-N 1 2 251.290 -1.569 20 0 CAADLO C[C@@H]1C[N@H+](CCNC(=O)[C@H]2COC(=O)N2)CCO1 ZINC000900487173 656167696 /nfs/dbraw/zinc/16/76/96/656167696.db2.gz XZOIARBUFWZCKH-RKDXNWHRSA-N 1 2 257.290 -1.068 20 0 CAADLO C[C@@H]1C[N@@H+](CCNC(=O)[C@H]2COC(=O)N2)CCO1 ZINC000900487173 656167698 /nfs/dbraw/zinc/16/76/98/656167698.db2.gz XZOIARBUFWZCKH-RKDXNWHRSA-N 1 2 257.290 -1.068 20 0 CAADLO C[C@@H]1C[N@H+](CCNC(=O)[C@@H]2OCCN(C)C2=O)CCO1 ZINC000900487909 656167782 /nfs/dbraw/zinc/16/77/82/656167782.db2.gz ZAGMYZMJVQLJQW-MNOVXSKESA-N 1 2 285.344 -1.320 20 0 CAADLO C[C@@H]1C[N@@H+](CCNC(=O)[C@@H]2OCCN(C)C2=O)CCO1 ZINC000900487909 656167783 /nfs/dbraw/zinc/16/77/83/656167783.db2.gz ZAGMYZMJVQLJQW-MNOVXSKESA-N 1 2 285.344 -1.320 20 0 CAADLO C[C@H]1C[N@H+](CCNC(=O)CN2CCNC(=O)C2)CCO1 ZINC000900486272 656167946 /nfs/dbraw/zinc/16/79/46/656167946.db2.gz UQBLRNPQZKBEBG-NSHDSACASA-N 1 2 284.360 -1.745 20 0 CAADLO C[C@H]1C[N@@H+](CCNC(=O)CN2CCNC(=O)C2)CCO1 ZINC000900486272 656167948 /nfs/dbraw/zinc/16/79/48/656167948.db2.gz UQBLRNPQZKBEBG-NSHDSACASA-N 1 2 284.360 -1.745 20 0 CAADLO C[C@H]1C[N@H+](CCNC(=O)[C@@H]2C[C@@H]2C(N)=O)CCO1 ZINC000900487150 656167952 /nfs/dbraw/zinc/16/79/52/656167952.db2.gz XRSJQQJPEPHPMJ-LPEHRKFASA-N 1 2 255.318 -1.055 20 0 CAADLO C[C@H]1C[N@@H+](CCNC(=O)[C@@H]2C[C@@H]2C(N)=O)CCO1 ZINC000900487150 656167954 /nfs/dbraw/zinc/16/79/54/656167954.db2.gz XRSJQQJPEPHPMJ-LPEHRKFASA-N 1 2 255.318 -1.055 20 0 CAADLO C[C@@H]1C[N@H+](CCNC(=O)[C@H]2OCCN(C)C2=O)CCO1 ZINC000900487908 656167971 /nfs/dbraw/zinc/16/79/71/656167971.db2.gz ZAGMYZMJVQLJQW-GHMZBOCLSA-N 1 2 285.344 -1.320 20 0 CAADLO C[C@@H]1C[N@@H+](CCNC(=O)[C@H]2OCCN(C)C2=O)CCO1 ZINC000900487908 656167972 /nfs/dbraw/zinc/16/79/72/656167972.db2.gz ZAGMYZMJVQLJQW-GHMZBOCLSA-N 1 2 285.344 -1.320 20 0 CAADLO CC1(C)COCC[N@@H+]1CCNC(=O)CN1CCNC(=O)C1 ZINC000900555671 656168301 /nfs/dbraw/zinc/16/83/01/656168301.db2.gz DNRYLSNFRBOFFT-UHFFFAOYSA-N 1 2 298.387 -1.355 20 0 CAADLO CC1(C)COCC[N@H+]1CCNC(=O)CN1CCNC(=O)C1 ZINC000900555671 656168302 /nfs/dbraw/zinc/16/83/02/656168302.db2.gz DNRYLSNFRBOFFT-UHFFFAOYSA-N 1 2 298.387 -1.355 20 0 CAADLO C[C@H]([C@H](C)NC(=O)CN1CCNC(=O)C1)[NH+]1CCOCC1 ZINC000900594707 656168922 /nfs/dbraw/zinc/16/89/22/656168922.db2.gz RYIPEQFKPVVPLT-NWDGAFQWSA-N 1 2 298.387 -1.356 20 0 CAADLO C[C@H](NC(=O)CN1CCNC(=O)C1)[C@H](C)[NH+]1CCOCC1 ZINC000900594708 656169053 /nfs/dbraw/zinc/16/90/53/656169053.db2.gz RYIPEQFKPVVPLT-RYUDHWBXSA-N 1 2 298.387 -1.356 20 0 CAADLO CS(=O)(=O)N1CC(C(=O)NCCc2[nH]cc[nH+]2)C1 ZINC000900648207 656170011 /nfs/dbraw/zinc/17/00/11/656170011.db2.gz XAESQTYFUHPWDM-UHFFFAOYSA-N 1 2 272.330 -1.040 20 0 CAADLO C[C@@H](CNC(=O)CN1CCNC(=O)C1)[NH+]1CCN(C)CC1 ZINC000900696189 656170205 /nfs/dbraw/zinc/17/02/05/656170205.db2.gz RLKLTWSWFMPRGH-LBPRGKRZSA-N 1 2 297.403 -1.830 20 0 CAADLO CN1CCO[C@H](C(=O)NCCc2[nH]cc[nH+]2)C1=O ZINC000900647883 656170325 /nfs/dbraw/zinc/17/03/25/656170325.db2.gz UBEGOQFITQMKJC-SECBINFHSA-N 1 2 252.274 -1.074 20 0 CAADLO COCC[NH+]1CCN(C(=O)[C@H]2OCCN(C)C2=O)CC1 ZINC000900684870 656170920 /nfs/dbraw/zinc/17/09/20/656170920.db2.gz WZDYZTFNTYTDLB-NSHDSACASA-N 1 2 285.344 -1.366 20 0 CAADLO C[C@@H](NC(=O)[C@@H]1C[C@@H]1C(N)=O)[C@@H]1CN(C)CC[N@@H+]1C ZINC000900806208 656172139 /nfs/dbraw/zinc/17/21/39/656172139.db2.gz SKUNLVJUGNAVRI-YTWAJWBKSA-N 1 2 268.361 -1.142 20 0 CAADLO C[C@@H](NC(=O)[C@@H]1C[C@@H]1C(N)=O)[C@@H]1CN(C)CC[N@H+]1C ZINC000900806208 656172141 /nfs/dbraw/zinc/17/21/41/656172141.db2.gz SKUNLVJUGNAVRI-YTWAJWBKSA-N 1 2 268.361 -1.142 20 0 CAADLO C[C@@H](NC(=O)[C@@H]1C[C@@H]1C(N)=O)[C@H]1CN(C)CC[N@@H+]1C ZINC000900806199 656172371 /nfs/dbraw/zinc/17/23/71/656172371.db2.gz SKUNLVJUGNAVRI-LMLFDSFASA-N 1 2 268.361 -1.142 20 0 CAADLO C[C@@H](NC(=O)[C@@H]1C[C@@H]1C(N)=O)[C@H]1CN(C)CC[N@H+]1C ZINC000900806199 656172372 /nfs/dbraw/zinc/17/23/72/656172372.db2.gz SKUNLVJUGNAVRI-LMLFDSFASA-N 1 2 268.361 -1.142 20 0 CAADLO O=C([C@H]1COC(=O)N1)N1CC[NH+](CCn2cncn2)CC1 ZINC000900799946 656172384 /nfs/dbraw/zinc/17/23/84/656172384.db2.gz ZOTNTFVGTNYYPX-SNVBAGLBSA-N 1 2 294.315 -1.469 20 0 CAADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)[C@@H]1C[C@@H]1C(N)=O ZINC000900985223 656173715 /nfs/dbraw/zinc/17/37/15/656173715.db2.gz UGVIPKKBEQOPOB-OUAUKWLOSA-N 1 2 285.344 -1.741 20 0 CAADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@H](O)C(C)(C)O ZINC000900981468 656173951 /nfs/dbraw/zinc/17/39/51/656173951.db2.gz BFEFUVGVQMQYDY-QWRGUYRKSA-N 1 2 290.360 -1.730 20 0 CAADLO CN1CCO[C@@H](C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)C1=O ZINC000901035570 656174865 /nfs/dbraw/zinc/17/48/65/656174865.db2.gz OMMHYOFIHCRBMZ-VXGBXAGGSA-N 1 2 297.355 -1.223 20 0 CAADLO COC(=O)CC[N@@H+]1CCN(C(=O)c2nnn(C)n2)C[C@H]1C ZINC000901318833 656180311 /nfs/dbraw/zinc/18/03/11/656180311.db2.gz PTJWRLIXOJGUHN-SECBINFHSA-N 1 2 296.331 -1.081 20 0 CAADLO COC(=O)CC[N@H+]1CCN(C(=O)c2nnn(C)n2)C[C@H]1C ZINC000901318833 656180313 /nfs/dbraw/zinc/18/03/13/656180313.db2.gz PTJWRLIXOJGUHN-SECBINFHSA-N 1 2 296.331 -1.081 20 0 CAADLO C/C(=C/C(=O)N[C@@H]1CN(C)NC1=O)C[NH+]1CCOCC1 ZINC000901322161 656180624 /nfs/dbraw/zinc/18/06/24/656180624.db2.gz DUGYZUSLHIVITP-ZJRUKIMVSA-N 1 2 282.344 -1.274 20 0 CAADLO C/C(=C/C(=O)N[C@H]1CN(C)NC1=O)C[NH+]1CCOCC1 ZINC000901322158 656180791 /nfs/dbraw/zinc/18/07/91/656180791.db2.gz DUGYZUSLHIVITP-BRNRAETOSA-N 1 2 282.344 -1.274 20 0 CAADLO CN1CCOC[C@@]1(CO)CNC(=O)NCCn1cc[nH+]c1 ZINC000905151485 656190022 /nfs/dbraw/zinc/19/00/22/656190022.db2.gz RNPUMHIPHHRKTF-ZDUSSCGKSA-N 1 2 297.359 -1.125 20 0 CAADLO COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N(C)Cc1cnc[nH]1 ZINC000905022499 656190459 /nfs/dbraw/zinc/19/04/59/656190459.db2.gz RPDAFAXEIQKKFB-NSHDSACASA-N 1 2 295.343 -1.185 20 0 CAADLO CC(C)(CNC(=O)CCNC(=O)CO)[NH+]1CCOCC1 ZINC000905211312 656190871 /nfs/dbraw/zinc/19/08/71/656190871.db2.gz VURNJBAIMUWCOG-UHFFFAOYSA-N 1 2 287.360 -1.288 20 0 CAADLO OC[C@@H](C[NH+]1CCCC1)NC[C@@H](O)C1(O)CCOCC1 ZINC000905377717 656191854 /nfs/dbraw/zinc/19/18/54/656191854.db2.gz ZLCVYZGTVLRAMW-CHWSQXEVSA-N 1 2 288.388 -1.065 20 0 CAADLO CN(CC[NH+]1CCOCC1)C(=O)CCCS(N)(=O)=O ZINC000906522424 656193437 /nfs/dbraw/zinc/19/34/37/656193437.db2.gz JQKDMGFOWNGNJR-UHFFFAOYSA-N 1 2 293.389 -1.154 20 0 CAADLO COC(=O)CC(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000906929924 656195524 /nfs/dbraw/zinc/19/55/24/656195524.db2.gz UZLVFQKJSYCZOV-JTQLQIEISA-N 1 2 274.317 -1.299 20 0 CAADLO O=C(NC(CO)CO)c1cccn1CC[NH+]1CCOCC1 ZINC000907181914 656196009 /nfs/dbraw/zinc/19/60/09/656196009.db2.gz LNNSKBDYHVZDRE-UHFFFAOYSA-N 1 2 297.355 -1.097 20 0 CAADLO C/C(=C\C(=O)N1CC[C@@](O)(C(N)=O)C1)C[NH+]1CCOCC1 ZINC000907649448 656201316 /nfs/dbraw/zinc/20/13/16/656201316.db2.gz WGTVACLMQKUHKG-ZHZWZMEUSA-N 1 2 297.355 -1.286 20 0 CAADLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)CCNC(=O)CO ZINC000907834694 656203121 /nfs/dbraw/zinc/20/31/21/656203121.db2.gz AOIFINIRKZGNKE-NSHDSACASA-N 1 2 287.360 -1.336 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCC(=O)N2)C1 ZINC001030022979 656204360 /nfs/dbraw/zinc/20/43/60/656204360.db2.gz MRQSSZZXCDNQDH-OPRDCNLKSA-N 1 2 282.344 -1.281 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCC(=O)N2)C1 ZINC001030022979 656204367 /nfs/dbraw/zinc/20/43/67/656204367.db2.gz MRQSSZZXCDNQDH-OPRDCNLKSA-N 1 2 282.344 -1.281 20 0 CAADLO O=C(CO)NCCC(=O)NC[C@H]1CN2CC[N@@H+]1CCC2 ZINC000908027640 656205876 /nfs/dbraw/zinc/20/58/76/656205876.db2.gz IALDBCFEOHTDPO-NSHDSACASA-N 1 2 284.360 -2.009 20 0 CAADLO O=C(CO)NCCC(=O)NC[C@H]1CN2CC[N@H+]1CCC2 ZINC000908027640 656205881 /nfs/dbraw/zinc/20/58/81/656205881.db2.gz IALDBCFEOHTDPO-NSHDSACASA-N 1 2 284.360 -2.009 20 0 CAADLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)CCNC(=O)CO ZINC000908145638 656207731 /nfs/dbraw/zinc/20/77/31/656207731.db2.gz OBMRNHPPYRNKOV-NEPJUHHUSA-N 1 2 299.371 -1.193 20 0 CAADLO Cn1nncc1C(=O)NC1CN(C(=O)Cn2cc[nH+]c2)C1 ZINC000991104959 656207771 /nfs/dbraw/zinc/20/77/71/656207771.db2.gz IMLIUOUDSRBOEL-UHFFFAOYSA-N 1 2 289.299 -1.348 20 0 CAADLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)CCNC(=O)CO ZINC000908145641 656208040 /nfs/dbraw/zinc/20/80/40/656208040.db2.gz OBMRNHPPYRNKOV-VXGBXAGGSA-N 1 2 299.371 -1.193 20 0 CAADLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)CCNC(=O)CO ZINC000908145639 656208206 /nfs/dbraw/zinc/20/82/06/656208206.db2.gz OBMRNHPPYRNKOV-NWDGAFQWSA-N 1 2 299.371 -1.193 20 0 CAADLO C[NH+](C)C[C@H](CO)NC(=O)[C@@]1(C)CCCS1(=O)=O ZINC000908203124 656211647 /nfs/dbraw/zinc/21/16/47/656211647.db2.gz ZICXPTMKCNOCNQ-MWLCHTKSSA-N 1 2 278.374 -1.008 20 0 CAADLO Cn1c[nH+]cc1CNC(=O)[C@@H]1OCCN(C)C1=O ZINC000908262261 656211945 /nfs/dbraw/zinc/21/19/45/656211945.db2.gz WURHERDXAITQIG-VIFPVBQESA-N 1 2 252.274 -1.107 20 0 CAADLO Cn1c[nH+]cc1CNC(=O)C1CN(S(C)(=O)=O)C1 ZINC000908262283 656212244 /nfs/dbraw/zinc/21/22/44/656212244.db2.gz XJQIZNBKOUMPNP-UHFFFAOYSA-N 1 2 272.330 -1.072 20 0 CAADLO C/C(=C\C(=O)N1CC(O)(CO)C1)C[NH+]1CCOCC1 ZINC000908477957 656215441 /nfs/dbraw/zinc/21/54/41/656215441.db2.gz IGTYYHSLKJQXFY-IZZDOVSWSA-N 1 2 270.329 -1.170 20 0 CAADLO CC(=O)N[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C[C@H]1O ZINC000991154701 656216327 /nfs/dbraw/zinc/21/63/27/656216327.db2.gz WIDNJDVBYVLYAX-WDEREUQCSA-N 1 2 266.301 -1.019 20 0 CAADLO O=C(CN1CCNC(=O)C1)N[C@H]1Cc2c[nH+]cn2C1 ZINC000908759351 656216450 /nfs/dbraw/zinc/21/64/50/656216450.db2.gz FNCYIPHARAMJGF-VIFPVBQESA-N 1 2 263.301 -1.644 20 0 CAADLO CN1CCO[C@H](C(=O)N[C@@H]2Cc3c[nH+]cn3C2)C1=O ZINC000908757830 656216549 /nfs/dbraw/zinc/21/65/49/656216549.db2.gz CWPJMMPQBHJNIL-PSASIEDQSA-N 1 2 264.285 -1.219 20 0 CAADLO Cn1cc(C(=O)NC2CN(C(=O)Cn3cc[nH+]c3)C2)nn1 ZINC000991159720 656216849 /nfs/dbraw/zinc/21/68/49/656216849.db2.gz CJVGSSNRFUHMOG-UHFFFAOYSA-N 1 2 289.299 -1.348 20 0 CAADLO CN1CCO[C@H](C(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)C1=O ZINC000909024672 656217495 /nfs/dbraw/zinc/21/74/95/656217495.db2.gz IZIFOQUYNQDBHW-GRYCIOLGSA-N 1 2 297.355 -1.177 20 0 CAADLO CN1CCO[C@H](C(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)C1=O ZINC000909024672 656217497 /nfs/dbraw/zinc/21/74/97/656217497.db2.gz IZIFOQUYNQDBHW-GRYCIOLGSA-N 1 2 297.355 -1.177 20 0 CAADLO O=C(CO)NCCC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000909028799 656217682 /nfs/dbraw/zinc/21/76/82/656217682.db2.gz WRAACORJYRGXPW-PHIMTYICSA-N 1 2 285.344 -1.536 20 0 CAADLO O=C(CO)NCCC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000909028799 656217686 /nfs/dbraw/zinc/21/76/86/656217686.db2.gz WRAACORJYRGXPW-PHIMTYICSA-N 1 2 285.344 -1.536 20 0 CAADLO CC(C)(C[NH+]1CCOCC1)NC(=O)CN1CCNC(=O)C1 ZINC000910449354 656223395 /nfs/dbraw/zinc/22/33/95/656223395.db2.gz KBAYVYIMLGPKRJ-UHFFFAOYSA-N 1 2 298.387 -1.355 20 0 CAADLO C[C@@H](C(=O)N1CC(S(N)(=O)=O)C1)[NH+]1CCSCC1 ZINC000910528740 656224038 /nfs/dbraw/zinc/22/40/38/656224038.db2.gz XMRSXSXJVHRRSP-QMMMGPOBSA-N 1 2 293.414 -1.077 20 0 CAADLO NS(=O)(=O)C1CN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC000910531121 656225294 /nfs/dbraw/zinc/22/52/94/656225294.db2.gz OUNJVCOAYJLKEO-MRVPVSSYSA-N 1 2 284.341 -1.055 20 0 CAADLO O=C(NCCCCn1cc[nH+]c1)C(=O)N[C@H]1CNOC1 ZINC000910972118 656231311 /nfs/dbraw/zinc/23/13/11/656231311.db2.gz QBLZJPRJKMJWGT-JTQLQIEISA-N 1 2 281.316 -1.201 20 0 CAADLO C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)N[C@H]1CNOC1 ZINC000911229715 656238867 /nfs/dbraw/zinc/23/88/67/656238867.db2.gz MJOJCQPWNGRBGF-BDAKNGLRSA-N 1 2 267.289 -1.593 20 0 CAADLO CC[NH+]1CCN(C(=O)C(=O)N[C@H]2CNOC2)CC1 ZINC000911467445 656244741 /nfs/dbraw/zinc/24/47/41/656244741.db2.gz NCHQNMACLNWUOD-VIFPVBQESA-N 1 2 256.306 -1.830 20 0 CAADLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)C(=O)N[C@@H]2CNOC2)C1 ZINC000911465146 656244940 /nfs/dbraw/zinc/24/49/40/656244940.db2.gz QZPJHDKGGVSJBV-VHSXEESVSA-N 1 2 293.327 -1.244 20 0 CAADLO O=C(N[C@@H]1CNOC1)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000911455694 656246339 /nfs/dbraw/zinc/24/63/39/656246339.db2.gz PVYSXUXSWDACFM-SECBINFHSA-N 1 2 268.317 -1.687 20 0 CAADLO NOCCCNC(=O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000911514513 656250069 /nfs/dbraw/zinc/25/00/69/656250069.db2.gz WJUXYMVPKQITRK-UHFFFAOYSA-N 1 2 270.333 -1.310 20 0 CAADLO CN(CC[N@H+](C)CCO)C(=O)C[C@@H]1SC(=N)NC1=O ZINC000912608510 656263456 /nfs/dbraw/zinc/26/34/56/656263456.db2.gz JDXCLUQCQUXLPN-QMMMGPOBSA-N 1 2 288.373 -1.075 20 0 CAADLO CN(CC[N@@H+](C)CCO)C(=O)C[C@@H]1SC(=N)NC1=O ZINC000912608510 656263462 /nfs/dbraw/zinc/26/34/62/656263462.db2.gz JDXCLUQCQUXLPN-QMMMGPOBSA-N 1 2 288.373 -1.075 20 0 CAADLO C[N@@H+]1CCO[C@H](C(=O)N2C[C@H](O)C[C@]2(C)CO)C1 ZINC000912664534 656263689 /nfs/dbraw/zinc/26/36/89/656263689.db2.gz COGBCUZRLVQJJC-JFGNBEQYSA-N 1 2 258.318 -1.339 20 0 CAADLO C[N@H+]1CCO[C@H](C(=O)N2C[C@H](O)C[C@]2(C)CO)C1 ZINC000912664534 656263692 /nfs/dbraw/zinc/26/36/92/656263692.db2.gz COGBCUZRLVQJJC-JFGNBEQYSA-N 1 2 258.318 -1.339 20 0 CAADLO C[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](O)C[C@@]2(C)CO)C1 ZINC000912664535 656263985 /nfs/dbraw/zinc/26/39/85/656263985.db2.gz COGBCUZRLVQJJC-NHCYSSNCSA-N 1 2 258.318 -1.339 20 0 CAADLO C[N@H+]1CCO[C@H](C(=O)N2C[C@@H](O)C[C@@]2(C)CO)C1 ZINC000912664535 656263987 /nfs/dbraw/zinc/26/39/87/656263987.db2.gz COGBCUZRLVQJJC-NHCYSSNCSA-N 1 2 258.318 -1.339 20 0 CAADLO C[N@@H+]1CCO[C@H](C(=O)N2C[C@H](O)C[C@@]2(C)CO)C1 ZINC000912664536 656264052 /nfs/dbraw/zinc/26/40/52/656264052.db2.gz COGBCUZRLVQJJC-SCVCMEIPSA-N 1 2 258.318 -1.339 20 0 CAADLO C[N@H+]1CCO[C@H](C(=O)N2C[C@H](O)C[C@@]2(C)CO)C1 ZINC000912664536 656264054 /nfs/dbraw/zinc/26/40/54/656264054.db2.gz COGBCUZRLVQJJC-SCVCMEIPSA-N 1 2 258.318 -1.339 20 0 CAADLO CN1C[C@H](C(=O)N2CC[N@H+](C)C[C@H]2CO)NC1=O ZINC000912736004 656264383 /nfs/dbraw/zinc/26/43/83/656264383.db2.gz LOIGJCSWEXLOAA-DTWKUNHWSA-N 1 2 256.306 -1.855 20 0 CAADLO CN1C[C@H](C(=O)N2CC[N@@H+](C)C[C@H]2CO)NC1=O ZINC000912736004 656264386 /nfs/dbraw/zinc/26/43/86/656264386.db2.gz LOIGJCSWEXLOAA-DTWKUNHWSA-N 1 2 256.306 -1.855 20 0 CAADLO CN1CCO[C@H](C(=O)N2CC[N@H+](C)C[C@@H]2CO)C1=O ZINC000912733969 656264577 /nfs/dbraw/zinc/26/45/77/656264577.db2.gz ATJQQZPDMXKETA-ZJUUUORDSA-N 1 2 271.317 -2.022 20 0 CAADLO CN1CCO[C@H](C(=O)N2CC[N@@H+](C)C[C@@H]2CO)C1=O ZINC000912733969 656264582 /nfs/dbraw/zinc/26/45/82/656264582.db2.gz ATJQQZPDMXKETA-ZJUUUORDSA-N 1 2 271.317 -2.022 20 0 CAADLO COC(=O)[C@@H]1CC[C@H](C(=O)N2CC[N@H+](C)C[C@@H]2CO)O1 ZINC000912734523 656264593 /nfs/dbraw/zinc/26/45/93/656264593.db2.gz LNHMLNBVUAMUSH-MXWKQRLJSA-N 1 2 286.328 -1.158 20 0 CAADLO COC(=O)[C@@H]1CC[C@H](C(=O)N2CC[N@@H+](C)C[C@@H]2CO)O1 ZINC000912734523 656264597 /nfs/dbraw/zinc/26/45/97/656264597.db2.gz LNHMLNBVUAMUSH-MXWKQRLJSA-N 1 2 286.328 -1.158 20 0 CAADLO C[N@@H+]1CCN(C(=O)c2ccn3nnnc3c2)[C@H](CO)C1 ZINC000912733932 656264699 /nfs/dbraw/zinc/26/46/99/656264699.db2.gz AAYFOQKKNLZKHZ-JTQLQIEISA-N 1 2 276.300 -1.127 20 0 CAADLO C[N@H+]1CCN(C(=O)c2ccn3nnnc3c2)[C@H](CO)C1 ZINC000912733932 656264703 /nfs/dbraw/zinc/26/47/03/656264703.db2.gz AAYFOQKKNLZKHZ-JTQLQIEISA-N 1 2 276.300 -1.127 20 0 CAADLO C[N@@H+]1CCN(C(=O)c2ccn3nnnc3c2)[C@@H](CO)C1 ZINC000912733933 656264992 /nfs/dbraw/zinc/26/49/92/656264992.db2.gz AAYFOQKKNLZKHZ-SNVBAGLBSA-N 1 2 276.300 -1.127 20 0 CAADLO C[N@H+]1CCN(C(=O)c2ccn3nnnc3c2)[C@@H](CO)C1 ZINC000912733933 656264993 /nfs/dbraw/zinc/26/49/93/656264993.db2.gz AAYFOQKKNLZKHZ-SNVBAGLBSA-N 1 2 276.300 -1.127 20 0 CAADLO CCOC(=O)C[C@H](O)C(=O)N1CC[N@H+](C)C[C@H]1CO ZINC000912738890 656265279 /nfs/dbraw/zinc/26/52/79/656265279.db2.gz LFUSGNARHVDNGL-UWVGGRQHSA-N 1 2 274.317 -1.565 20 0 CAADLO CCOC(=O)C[C@H](O)C(=O)N1CC[N@@H+](C)C[C@H]1CO ZINC000912738890 656265283 /nfs/dbraw/zinc/26/52/83/656265283.db2.gz LFUSGNARHVDNGL-UWVGGRQHSA-N 1 2 274.317 -1.565 20 0 CAADLO C[N@@H+]1CCN(C(=O)c2cccc(C(N)=O)n2)[C@@H](CO)C1 ZINC000912739616 656265683 /nfs/dbraw/zinc/26/56/83/656265683.db2.gz CJJRWKKPFJYRNF-SECBINFHSA-N 1 2 278.312 -1.071 20 0 CAADLO C[N@H+]1CCN(C(=O)c2cccc(C(N)=O)n2)[C@@H](CO)C1 ZINC000912739616 656265684 /nfs/dbraw/zinc/26/56/84/656265684.db2.gz CJJRWKKPFJYRNF-SECBINFHSA-N 1 2 278.312 -1.071 20 0 CAADLO CN1C(=O)CC[C@H]1C(=O)N1CC[N@H+](C)C[C@H]1CO ZINC000912740018 656265688 /nfs/dbraw/zinc/26/56/88/656265688.db2.gz MUWNXUZQERGDBE-UWVGGRQHSA-N 1 2 255.318 -1.258 20 0 CAADLO CN1C(=O)CC[C@H]1C(=O)N1CC[N@@H+](C)C[C@H]1CO ZINC000912740018 656265690 /nfs/dbraw/zinc/26/56/90/656265690.db2.gz MUWNXUZQERGDBE-UWVGGRQHSA-N 1 2 255.318 -1.258 20 0 CAADLO C[C@@H]1OC(=O)N[C@H]1C(=O)N1CC[N@H+](C)C[C@H]1CO ZINC000912739754 656265705 /nfs/dbraw/zinc/26/57/05/656265705.db2.gz GQMJWCVLZBDEAX-XHNCKOQMSA-N 1 2 257.290 -1.382 20 0 CAADLO C[C@@H]1OC(=O)N[C@H]1C(=O)N1CC[N@@H+](C)C[C@H]1CO ZINC000912739754 656265707 /nfs/dbraw/zinc/26/57/07/656265707.db2.gz GQMJWCVLZBDEAX-XHNCKOQMSA-N 1 2 257.290 -1.382 20 0 CAADLO CCOC(=O)C[C@@H](O)C(=O)N1CC[N@H+](C)C[C@H]1CO ZINC000912738891 656265989 /nfs/dbraw/zinc/26/59/89/656265989.db2.gz LFUSGNARHVDNGL-VHSXEESVSA-N 1 2 274.317 -1.565 20 0 CAADLO CCOC(=O)C[C@@H](O)C(=O)N1CC[N@@H+](C)C[C@H]1CO ZINC000912738891 656265993 /nfs/dbraw/zinc/26/59/93/656265993.db2.gz LFUSGNARHVDNGL-VHSXEESVSA-N 1 2 274.317 -1.565 20 0 CAADLO C[N@@H+]1CCN(C(=O)[C@@H]2CCOC(=O)N2)[C@H](CO)C1 ZINC000912737919 656266072 /nfs/dbraw/zinc/26/60/72/656266072.db2.gz XJBNVIKPXHHKKG-IUCAKERBSA-N 1 2 257.290 -1.380 20 0 CAADLO C[N@H+]1CCN(C(=O)[C@@H]2CCOC(=O)N2)[C@H](CO)C1 ZINC000912737919 656266075 /nfs/dbraw/zinc/26/60/75/656266075.db2.gz XJBNVIKPXHHKKG-IUCAKERBSA-N 1 2 257.290 -1.380 20 0 CAADLO CNS(=O)(=O)CC(=O)N1CC[N@H+](C)C[C@H]1CO ZINC000912743074 656266692 /nfs/dbraw/zinc/26/66/92/656266692.db2.gz OOLZLZFICKTYAR-QMMMGPOBSA-N 1 2 265.335 -2.330 20 0 CAADLO CNS(=O)(=O)CC(=O)N1CC[N@@H+](C)C[C@H]1CO ZINC000912743074 656266694 /nfs/dbraw/zinc/26/66/94/656266694.db2.gz OOLZLZFICKTYAR-QMMMGPOBSA-N 1 2 265.335 -2.330 20 0 CAADLO C[N@@H+]1CCN(C(=O)CCn2cc[nH]c(=O)c2=O)[C@H](CO)C1 ZINC000912743639 656266721 /nfs/dbraw/zinc/26/67/21/656266721.db2.gz BLMKXVXITYABCL-JTQLQIEISA-N 1 2 296.327 -1.938 20 0 CAADLO C[N@H+]1CCN(C(=O)CCn2cc[nH]c(=O)c2=O)[C@H](CO)C1 ZINC000912743639 656266725 /nfs/dbraw/zinc/26/67/25/656266725.db2.gz BLMKXVXITYABCL-JTQLQIEISA-N 1 2 296.327 -1.938 20 0 CAADLO COC(=O)c1cc(C(=O)N2CC[N@H+](C)C[C@H]2CO)n(C)n1 ZINC000912751318 656268026 /nfs/dbraw/zinc/26/80/26/656268026.db2.gz DQMGJCIGLSRLRY-VIFPVBQESA-N 1 2 296.327 -1.045 20 0 CAADLO COC(=O)c1cc(C(=O)N2CC[N@@H+](C)C[C@H]2CO)n(C)n1 ZINC000912751318 656268030 /nfs/dbraw/zinc/26/80/30/656268030.db2.gz DQMGJCIGLSRLRY-VIFPVBQESA-N 1 2 296.327 -1.045 20 0 CAADLO C[C@@H]1C(=O)N(NC(=O)[C@@]2(C)C[C@@H](O)C[N@@H+]2C)C(=O)N1C ZINC000912817631 656268344 /nfs/dbraw/zinc/26/83/44/656268344.db2.gz ZESNAUOZIKQOOR-DNSOKLHBSA-N 1 2 284.316 -1.245 20 0 CAADLO C[C@@H]1C(=O)N(NC(=O)[C@@]2(C)C[C@@H](O)C[N@H+]2C)C(=O)N1C ZINC000912817631 656268351 /nfs/dbraw/zinc/26/83/51/656268351.db2.gz ZESNAUOZIKQOOR-DNSOKLHBSA-N 1 2 284.316 -1.245 20 0 CAADLO CN1C[C@H](C(=O)NCC[N@@H+]2CCC3(C2)OCCO3)NC1=O ZINC000912897185 656269122 /nfs/dbraw/zinc/26/91/22/656269122.db2.gz LVDUJWUMNJKZSX-SNVBAGLBSA-N 1 2 298.343 -1.425 20 0 CAADLO CN1C[C@H](C(=O)NCC[N@H+]2CCC3(C2)OCCO3)NC1=O ZINC000912897185 656269127 /nfs/dbraw/zinc/26/91/27/656269127.db2.gz LVDUJWUMNJKZSX-SNVBAGLBSA-N 1 2 298.343 -1.425 20 0 CAADLO CS(=O)(=O)NC1CN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000913009893 656270022 /nfs/dbraw/zinc/27/00/22/656270022.db2.gz WNFOIUUGKXVTGA-UHFFFAOYSA-N 1 2 258.303 -1.288 20 0 CAADLO C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)N[C@H]1COCCC1=O ZINC000913149119 656272219 /nfs/dbraw/zinc/27/22/19/656272219.db2.gz QNKYBKHTNWUNPU-VDDIYKPWSA-N 1 2 256.302 -1.084 20 0 CAADLO C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)N[C@H]1COCCC1=O ZINC000913149119 656272229 /nfs/dbraw/zinc/27/22/29/656272229.db2.gz QNKYBKHTNWUNPU-VDDIYKPWSA-N 1 2 256.302 -1.084 20 0 CAADLO C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)NC[C@@]1(CO)COCCN1 ZINC000913177977 656272608 /nfs/dbraw/zinc/27/26/08/656272608.db2.gz BLUSYFMUOFBTKS-KGYLQXTDSA-N 1 2 287.360 -2.091 20 0 CAADLO C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)NC[C@@]1(CO)COCCN1 ZINC000913177977 656272614 /nfs/dbraw/zinc/27/26/14/656272614.db2.gz BLUSYFMUOFBTKS-KGYLQXTDSA-N 1 2 287.360 -2.091 20 0 CAADLO C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)N[C@@H]1COCCC1=O ZINC000913149116 656273205 /nfs/dbraw/zinc/27/32/05/656273205.db2.gz QNKYBKHTNWUNPU-KBVBSXBZSA-N 1 2 256.302 -1.084 20 0 CAADLO C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)N[C@@H]1COCCC1=O ZINC000913149116 656273209 /nfs/dbraw/zinc/27/32/09/656273209.db2.gz QNKYBKHTNWUNPU-KBVBSXBZSA-N 1 2 256.302 -1.084 20 0 CAADLO CCN1CCO[C@H](C(=O)NC[C@]2(CO)COCC[NH2+]2)C1 ZINC000913186495 656278136 /nfs/dbraw/zinc/27/81/36/656278136.db2.gz IHBNZRLEJLERCA-AAEUAGOBSA-N 1 2 287.360 -1.826 20 0 CAADLO CCN1CCO[C@@H](C(=O)NC[C@]2(CO)COCC[NH2+]2)C1 ZINC000913186498 656278316 /nfs/dbraw/zinc/27/83/16/656278316.db2.gz IHBNZRLEJLERCA-YPMHNXCESA-N 1 2 287.360 -1.826 20 0 CAADLO O=C(CCN1CCOCC1)NC[C@@]1(CO)COCC[NH2+]1 ZINC000913191845 656278854 /nfs/dbraw/zinc/27/88/54/656278854.db2.gz UEJABLLMXHYZKD-CYBMUJFWSA-N 1 2 287.360 -1.824 20 0 CAADLO O=C(CC[NH+]1CCOCC1)NC[C@@]1(CO)COCCN1 ZINC000913191845 656278856 /nfs/dbraw/zinc/27/88/56/656278856.db2.gz UEJABLLMXHYZKD-CYBMUJFWSA-N 1 2 287.360 -1.824 20 0 CAADLO CN(C[C@@H]1C[N@H+](C)CCO1)C(=O)[C@H](O)C(C)(C)O ZINC000913506943 656283036 /nfs/dbraw/zinc/28/30/36/656283036.db2.gz JRIAKUIWXGFFNG-UWVGGRQHSA-N 1 2 260.334 -1.093 20 0 CAADLO CN(C[C@@H]1C[N@@H+](C)CCO1)C(=O)[C@H](O)C(C)(C)O ZINC000913506943 656283038 /nfs/dbraw/zinc/28/30/38/656283038.db2.gz JRIAKUIWXGFFNG-UWVGGRQHSA-N 1 2 260.334 -1.093 20 0 CAADLO NC(=O)[C@@H]1C[C@@H]1C(=O)N1CCO[C@H](C[NH+]2CCOCC2)C1 ZINC000913477126 656282346 /nfs/dbraw/zinc/28/23/46/656282346.db2.gz CUUYSEGEBZHOCC-UTUOFQBUSA-N 1 2 297.355 -1.333 20 0 CAADLO Cn1cc([C@@H]2CN(C(=O)[C@H]3CC(=O)N3)CC[NH2+]2)cn1 ZINC000913461199 656282574 /nfs/dbraw/zinc/28/25/74/656282574.db2.gz UUHVETLWMZJJKG-ZJUUUORDSA-N 1 2 263.301 -1.219 20 0 CAADLO Cn1cc([C@@H]2CN(C(=O)[C@@H]3CN(C)C(=O)N3)CC[NH2+]2)cn1 ZINC000913456493 656282592 /nfs/dbraw/zinc/28/25/92/656282592.db2.gz KMOABIVROTYKPJ-QWRGUYRKSA-N 1 2 292.343 -1.083 20 0 CAADLO CN1CCO[C@H](C(=O)N2CC[NH2+][C@H](c3cn[nH]c3)C2)C1=O ZINC000913456220 656282668 /nfs/dbraw/zinc/28/26/68/656282668.db2.gz NPDHOHSKQJTTDP-QWRGUYRKSA-N 1 2 293.327 -1.260 20 0 CAADLO Cn1cc([C@H]2CN(C(=O)Cn3cnnn3)CC[NH2+]2)cn1 ZINC000913472897 656282700 /nfs/dbraw/zinc/28/27/00/656282700.db2.gz ZQVIXDJMUSDZTA-SNVBAGLBSA-N 1 2 276.304 -1.420 20 0 CAADLO CN1C[C@H](C(=O)N2CC[NH2+][C@H](c3cn[nH]c3)C2)NC1=O ZINC000913452642 656282761 /nfs/dbraw/zinc/28/27/61/656282761.db2.gz DQAJSQCLIXORLO-VHSXEESVSA-N 1 2 278.316 -1.094 20 0 CAADLO CN(C[C@@H]1C[N@H+](C)CCO1)C(=O)[C@H]1OCCN(C)C1=O ZINC000913507339 656282911 /nfs/dbraw/zinc/28/29/11/656282911.db2.gz MXQUBLOKLYTKFN-QWRGUYRKSA-N 1 2 285.344 -1.367 20 0 CAADLO CN(C[C@@H]1C[N@@H+](C)CCO1)C(=O)[C@H]1OCCN(C)C1=O ZINC000913507339 656282919 /nfs/dbraw/zinc/28/29/19/656282919.db2.gz MXQUBLOKLYTKFN-QWRGUYRKSA-N 1 2 285.344 -1.367 20 0 CAADLO Cn1cc([C@H]2CN(C(=O)[C@@H]3CC(=O)N3)CC[NH2+]2)cn1 ZINC000913461198 656282945 /nfs/dbraw/zinc/28/29/45/656282945.db2.gz UUHVETLWMZJJKG-VHSXEESVSA-N 1 2 263.301 -1.219 20 0 CAADLO CN1C[C@@H](C(=O)N2CC[NH2+][C@@H](c3cn[nH]c3)C2)NC1=O ZINC000913452643 656283085 /nfs/dbraw/zinc/28/30/85/656283085.db2.gz DQAJSQCLIXORLO-ZJUUUORDSA-N 1 2 278.316 -1.094 20 0 CAADLO CN1CCO[C@@H](C(=O)N2CC[NH2+][C@H](c3cn[nH]c3)C2)C1=O ZINC000913456221 656283133 /nfs/dbraw/zinc/28/31/33/656283133.db2.gz NPDHOHSKQJTTDP-WDEREUQCSA-N 1 2 293.327 -1.260 20 0 CAADLO C[N@@H+]1CCN(C(=O)[C@@]2(O)CCSC2)C[C@@H]1CO ZINC000913546210 656284070 /nfs/dbraw/zinc/28/40/70/656284070.db2.gz KFUSPHYARDIKRW-MWLCHTKSSA-N 1 2 260.359 -1.011 20 0 CAADLO C[N@H+]1CCN(C(=O)[C@@]2(O)CCSC2)C[C@@H]1CO ZINC000913546210 656284076 /nfs/dbraw/zinc/28/40/76/656284076.db2.gz KFUSPHYARDIKRW-MWLCHTKSSA-N 1 2 260.359 -1.011 20 0 CAADLO C[N@@H+]1CCN(C(=O)[C@H]2CCNC(=O)C2)C[C@H]1CO ZINC000913547547 656284139 /nfs/dbraw/zinc/28/41/39/656284139.db2.gz RBYRZQFYFBNMFC-UWVGGRQHSA-N 1 2 255.318 -1.353 20 0 CAADLO C[N@H+]1CCN(C(=O)[C@H]2CCNC(=O)C2)C[C@H]1CO ZINC000913547547 656284142 /nfs/dbraw/zinc/28/41/42/656284142.db2.gz RBYRZQFYFBNMFC-UWVGGRQHSA-N 1 2 255.318 -1.353 20 0 CAADLO C[N@@H+]1CCN(C(=O)C2(NC(N)=O)CC2)C[C@@H]1CO ZINC000913546411 656284179 /nfs/dbraw/zinc/28/41/79/656284179.db2.gz OZTALRPDIVBXMV-MRVPVSSYSA-N 1 2 256.306 -1.678 20 0 CAADLO C[N@H+]1CCN(C(=O)C2(NC(N)=O)CC2)C[C@@H]1CO ZINC000913546411 656284185 /nfs/dbraw/zinc/28/41/85/656284185.db2.gz OZTALRPDIVBXMV-MRVPVSSYSA-N 1 2 256.306 -1.678 20 0 CAADLO C[N@@H+]1CCN(C(=O)C2(CO)CCOCC2)C[C@@H]1CO ZINC000913541637 656284215 /nfs/dbraw/zinc/28/42/15/656284215.db2.gz QVNCFWYJIDZSBL-LLVKDONJSA-N 1 2 272.345 -1.090 20 0 CAADLO C[N@H+]1CCN(C(=O)C2(CO)CCOCC2)C[C@@H]1CO ZINC000913541637 656284218 /nfs/dbraw/zinc/28/42/18/656284218.db2.gz QVNCFWYJIDZSBL-LLVKDONJSA-N 1 2 272.345 -1.090 20 0 CAADLO CN(C)C(=O)[C@@H]1CC[C@H](C(=O)N2CC[N@H+](C)[C@@H](CO)C2)O1 ZINC000913539820 656284374 /nfs/dbraw/zinc/28/43/74/656284374.db2.gz INIRVMUNAFYPRJ-GRYCIOLGSA-N 1 2 299.371 -1.243 20 0 CAADLO CN(C)C(=O)[C@@H]1CC[C@H](C(=O)N2CC[N@@H+](C)[C@@H](CO)C2)O1 ZINC000913539820 656284376 /nfs/dbraw/zinc/28/43/76/656284376.db2.gz INIRVMUNAFYPRJ-GRYCIOLGSA-N 1 2 299.371 -1.243 20 0 CAADLO CC(=O)N1CCOC[C@H]1C(=O)N1CC[N@@H+](C)[C@@H](CO)C1 ZINC000913547926 656284427 /nfs/dbraw/zinc/28/44/27/656284427.db2.gz ZFLZBGBMYLPYIA-NEPJUHHUSA-N 1 2 285.344 -1.631 20 0 CAADLO CC(=O)N1CCOC[C@H]1C(=O)N1CC[N@H+](C)[C@@H](CO)C1 ZINC000913547926 656284429 /nfs/dbraw/zinc/28/44/29/656284429.db2.gz ZFLZBGBMYLPYIA-NEPJUHHUSA-N 1 2 285.344 -1.631 20 0 CAADLO CC(=O)N1CC(OCC(=O)N2CC[N@@H+](C)[C@H](CO)C2)C1 ZINC000913541578 656284477 /nfs/dbraw/zinc/28/44/77/656284477.db2.gz PWDCDHQOHMHKMU-NSHDSACASA-N 1 2 285.344 -1.631 20 0 CAADLO CC(=O)N1CC(OCC(=O)N2CC[N@H+](C)[C@H](CO)C2)C1 ZINC000913541578 656284482 /nfs/dbraw/zinc/28/44/82/656284482.db2.gz PWDCDHQOHMHKMU-NSHDSACASA-N 1 2 285.344 -1.631 20 0 CAADLO C[N@@H+]1CCN(C(=O)[C@@H]2CCNC(=O)C2)C[C@H]1CO ZINC000913547549 656284510 /nfs/dbraw/zinc/28/45/10/656284510.db2.gz RBYRZQFYFBNMFC-ZJUUUORDSA-N 1 2 255.318 -1.353 20 0 CAADLO C[N@H+]1CCN(C(=O)[C@@H]2CCNC(=O)C2)C[C@H]1CO ZINC000913547549 656284512 /nfs/dbraw/zinc/28/45/12/656284512.db2.gz RBYRZQFYFBNMFC-ZJUUUORDSA-N 1 2 255.318 -1.353 20 0 CAADLO CN1C[C@H](C(=O)N2CC[N@H+](C)[C@H](CO)C2)NC1=O ZINC000913541019 656284656 /nfs/dbraw/zinc/28/46/56/656284656.db2.gz DHONPBNZWBBMLA-DTWKUNHWSA-N 1 2 256.306 -1.855 20 0 CAADLO CN1C[C@H](C(=O)N2CC[N@@H+](C)[C@H](CO)C2)NC1=O ZINC000913541019 656284658 /nfs/dbraw/zinc/28/46/58/656284658.db2.gz DHONPBNZWBBMLA-DTWKUNHWSA-N 1 2 256.306 -1.855 20 0 CAADLO C[N@@H+]1CCN(C(=O)c2cccn3nnnc23)C[C@@H]1CO ZINC000913539701 656284758 /nfs/dbraw/zinc/28/47/58/656284758.db2.gz FQHJYHWSDSNBMZ-SECBINFHSA-N 1 2 276.300 -1.127 20 0 CAADLO C[N@H+]1CCN(C(=O)c2cccn3nnnc23)C[C@@H]1CO ZINC000913539701 656284763 /nfs/dbraw/zinc/28/47/63/656284763.db2.gz FQHJYHWSDSNBMZ-SECBINFHSA-N 1 2 276.300 -1.127 20 0 CAADLO C[N@@H+]1CCN(C(=O)[C@]2(O)CCSC2)C[C@H]1CO ZINC000913546211 656284795 /nfs/dbraw/zinc/28/47/95/656284795.db2.gz KFUSPHYARDIKRW-ONGXEEELSA-N 1 2 260.359 -1.011 20 0 CAADLO C[N@H+]1CCN(C(=O)[C@]2(O)CCSC2)C[C@H]1CO ZINC000913546211 656284798 /nfs/dbraw/zinc/28/47/98/656284798.db2.gz KFUSPHYARDIKRW-ONGXEEELSA-N 1 2 260.359 -1.011 20 0 CAADLO C[N@@H+]1CCN(C(=O)[C@@]2(O)CCSC2)C[C@H]1CO ZINC000913546208 656284886 /nfs/dbraw/zinc/28/48/86/656284886.db2.gz KFUSPHYARDIKRW-GXSJLCMTSA-N 1 2 260.359 -1.011 20 0 CAADLO C[N@H+]1CCN(C(=O)[C@@]2(O)CCSC2)C[C@H]1CO ZINC000913546208 656284891 /nfs/dbraw/zinc/28/48/91/656284891.db2.gz KFUSPHYARDIKRW-GXSJLCMTSA-N 1 2 260.359 -1.011 20 0 CAADLO CN1C[C@@H](C(=O)N2CC[N@H+](C)[C@H](CO)C2)NC1=O ZINC000913541020 656285007 /nfs/dbraw/zinc/28/50/07/656285007.db2.gz DHONPBNZWBBMLA-IUCAKERBSA-N 1 2 256.306 -1.855 20 0 CAADLO CN1C[C@@H](C(=O)N2CC[N@@H+](C)[C@H](CO)C2)NC1=O ZINC000913541020 656285012 /nfs/dbraw/zinc/28/50/12/656285012.db2.gz DHONPBNZWBBMLA-IUCAKERBSA-N 1 2 256.306 -1.855 20 0 CAADLO C[N@@H+]1CCN(C(=O)[C@@H]2CCc3nnnn3CC2)C[C@H]1CO ZINC000913541127 656285032 /nfs/dbraw/zinc/28/50/32/656285032.db2.gz FSVIFVLPUMNPLV-MNOVXSKESA-N 1 2 294.359 -1.240 20 0 CAADLO C[N@H+]1CCN(C(=O)[C@@H]2CCc3nnnn3CC2)C[C@H]1CO ZINC000913541127 656285036 /nfs/dbraw/zinc/28/50/36/656285036.db2.gz FSVIFVLPUMNPLV-MNOVXSKESA-N 1 2 294.359 -1.240 20 0 CAADLO CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N1CC[N@H+](C)[C@@H](CO)C1 ZINC000913541531 656285161 /nfs/dbraw/zinc/28/51/61/656285161.db2.gz OUOXUCDAWBSXHC-MXWKQRLJSA-N 1 2 269.345 -1.154 20 0 CAADLO CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N1CC[N@@H+](C)[C@@H](CO)C1 ZINC000913541531 656285168 /nfs/dbraw/zinc/28/51/68/656285168.db2.gz OUOXUCDAWBSXHC-MXWKQRLJSA-N 1 2 269.345 -1.154 20 0 CAADLO C[N@@H+]1CCN(C(=O)c2cccc(C(N)=O)n2)C[C@H]1CO ZINC000913546414 656285223 /nfs/dbraw/zinc/28/52/23/656285223.db2.gz PCBSMXZFHFRBAC-VIFPVBQESA-N 1 2 278.312 -1.071 20 0 CAADLO C[N@H+]1CCN(C(=O)c2cccc(C(N)=O)n2)C[C@H]1CO ZINC000913546414 656285228 /nfs/dbraw/zinc/28/52/28/656285228.db2.gz PCBSMXZFHFRBAC-VIFPVBQESA-N 1 2 278.312 -1.071 20 0 CAADLO CN1C[C@H](C(=O)N2CC[N@H+](C)[C@@H](CO)C2)CCC1=O ZINC000913541891 656285290 /nfs/dbraw/zinc/28/52/90/656285290.db2.gz XMVKVTQYXVFBFY-GHMZBOCLSA-N 1 2 269.345 -1.010 20 0 CAADLO CN1C[C@H](C(=O)N2CC[N@@H+](C)[C@@H](CO)C2)CCC1=O ZINC000913541891 656285294 /nfs/dbraw/zinc/28/52/94/656285294.db2.gz XMVKVTQYXVFBFY-GHMZBOCLSA-N 1 2 269.345 -1.010 20 0 CAADLO C[N@@H+]1CCN(C(=O)C2=NN(CCO)C(=O)CC2)C[C@H]1CO ZINC000913547758 656285316 /nfs/dbraw/zinc/28/53/16/656285316.db2.gz VNDVTRAAGBHLKC-JTQLQIEISA-N 1 2 298.343 -1.908 20 0 CAADLO C[N@H+]1CCN(C(=O)C2=NN(CCO)C(=O)CC2)C[C@H]1CO ZINC000913547758 656285320 /nfs/dbraw/zinc/28/53/20/656285320.db2.gz VNDVTRAAGBHLKC-JTQLQIEISA-N 1 2 298.343 -1.908 20 0 CAADLO Cn1cc([C@@H](O)C(=O)N2CC[N@H+](C)[C@@H](CO)C2)cn1 ZINC000913543494 656285515 /nfs/dbraw/zinc/28/55/15/656285515.db2.gz JLURASPPIPDCCC-GHMZBOCLSA-N 1 2 268.317 -1.412 20 0 CAADLO Cn1cc([C@@H](O)C(=O)N2CC[N@@H+](C)[C@@H](CO)C2)cn1 ZINC000913543494 656285520 /nfs/dbraw/zinc/28/55/20/656285520.db2.gz JLURASPPIPDCCC-GHMZBOCLSA-N 1 2 268.317 -1.412 20 0 CAADLO C[N@@H+]1CCN(C(=O)[C@@H]2CCc3nncn3C2)C[C@H]1CO ZINC000913542188 656285530 /nfs/dbraw/zinc/28/55/30/656285530.db2.gz FCFAMQPXKPSEDP-MNOVXSKESA-N 1 2 279.344 -1.025 20 0 CAADLO C[N@H+]1CCN(C(=O)[C@@H]2CCc3nncn3C2)C[C@H]1CO ZINC000913542188 656285539 /nfs/dbraw/zinc/28/55/39/656285539.db2.gz FCFAMQPXKPSEDP-MNOVXSKESA-N 1 2 279.344 -1.025 20 0 CAADLO C[N@@H+]1CCN(C(=O)[C@H]2CCCN2C=O)C[C@@H]1CO ZINC000913543016 656285620 /nfs/dbraw/zinc/28/56/20/656285620.db2.gz XJHDQTCFWHUBDO-GHMZBOCLSA-N 1 2 255.318 -1.258 20 0 CAADLO C[N@H+]1CCN(C(=O)[C@H]2CCCN2C=O)C[C@@H]1CO ZINC000913543016 656285626 /nfs/dbraw/zinc/28/56/26/656285626.db2.gz XJHDQTCFWHUBDO-GHMZBOCLSA-N 1 2 255.318 -1.258 20 0 CAADLO Cn1cc(C[C@@H](O)C(=O)N2CC[N@H+](C)[C@@H](CO)C2)cn1 ZINC000913544645 656285639 /nfs/dbraw/zinc/28/56/39/656285639.db2.gz JHLMYJVPNXVWIS-VXGBXAGGSA-N 1 2 282.344 -1.542 20 0 CAADLO Cn1cc(C[C@@H](O)C(=O)N2CC[N@@H+](C)[C@@H](CO)C2)cn1 ZINC000913544645 656285643 /nfs/dbraw/zinc/28/56/43/656285643.db2.gz JHLMYJVPNXVWIS-VXGBXAGGSA-N 1 2 282.344 -1.542 20 0 CAADLO C[N@@H+]1CCN(C(=O)C2(O)CCOCC2)C[C@@H]1CO ZINC000913544247 656285659 /nfs/dbraw/zinc/28/56/59/656285659.db2.gz ABCMKLDLIKNPAV-SNVBAGLBSA-N 1 2 258.318 -1.337 20 0 CAADLO C[N@H+]1CCN(C(=O)C2(O)CCOCC2)C[C@@H]1CO ZINC000913544247 656285662 /nfs/dbraw/zinc/28/56/62/656285662.db2.gz ABCMKLDLIKNPAV-SNVBAGLBSA-N 1 2 258.318 -1.337 20 0 CAADLO COCCN1C[C@H](C(=O)N2CC[N@H+](C)[C@H](CO)C2)CC1=O ZINC000913553020 656285751 /nfs/dbraw/zinc/28/57/51/656285751.db2.gz AAKOHGJUBBIFRY-NEPJUHHUSA-N 1 2 299.371 -1.384 20 0 CAADLO COCCN1C[C@H](C(=O)N2CC[N@@H+](C)[C@H](CO)C2)CC1=O ZINC000913553020 656285754 /nfs/dbraw/zinc/28/57/54/656285754.db2.gz AAKOHGJUBBIFRY-NEPJUHHUSA-N 1 2 299.371 -1.384 20 0 CAADLO CC(=O)N1CCC[C@@](O)(C(=O)N2CC[N@@H+](C)[C@H](CO)C2)C1 ZINC000913543590 656285826 /nfs/dbraw/zinc/28/58/26/656285826.db2.gz LPKMNDFEENVJMP-JSGCOSHPSA-N 1 2 299.371 -1.505 20 0 CAADLO CC(=O)N1CCC[C@@](O)(C(=O)N2CC[N@H+](C)[C@H](CO)C2)C1 ZINC000913543590 656285830 /nfs/dbraw/zinc/28/58/30/656285830.db2.gz LPKMNDFEENVJMP-JSGCOSHPSA-N 1 2 299.371 -1.505 20 0 CAADLO Cn1cc(C[C@H](O)C(=O)N2CC[N@H+](C)[C@H](CO)C2)cn1 ZINC000913544644 656286209 /nfs/dbraw/zinc/28/62/09/656286209.db2.gz JHLMYJVPNXVWIS-RYUDHWBXSA-N 1 2 282.344 -1.542 20 0 CAADLO Cn1cc(C[C@H](O)C(=O)N2CC[N@@H+](C)[C@H](CO)C2)cn1 ZINC000913544644 656286211 /nfs/dbraw/zinc/28/62/11/656286211.db2.gz JHLMYJVPNXVWIS-RYUDHWBXSA-N 1 2 282.344 -1.542 20 0 CAADLO C[C@@H]1OC(=O)N[C@H]1C(=O)N1CC[N@H+](C)[C@H](CO)C1 ZINC000913544768 656286393 /nfs/dbraw/zinc/28/63/93/656286393.db2.gz LWVAPEYELUJFEA-XHNCKOQMSA-N 1 2 257.290 -1.382 20 0 CAADLO C[C@@H]1OC(=O)N[C@H]1C(=O)N1CC[N@@H+](C)[C@H](CO)C1 ZINC000913544768 656286396 /nfs/dbraw/zinc/28/63/96/656286396.db2.gz LWVAPEYELUJFEA-XHNCKOQMSA-N 1 2 257.290 -1.382 20 0 CAADLO CN1C(=O)CC[C@H]1C(=O)N1CC[N@H+](C)[C@@H](CO)C1 ZINC000913545274 656286409 /nfs/dbraw/zinc/28/64/09/656286409.db2.gz ZFHJOACEVUCBER-ZJUUUORDSA-N 1 2 255.318 -1.258 20 0 CAADLO CN1C(=O)CC[C@H]1C(=O)N1CC[N@@H+](C)[C@@H](CO)C1 ZINC000913545274 656286411 /nfs/dbraw/zinc/28/64/11/656286411.db2.gz ZFHJOACEVUCBER-ZJUUUORDSA-N 1 2 255.318 -1.258 20 0 CAADLO C[C@@H]1OC(=O)N[C@@H]1C(=O)N1CC[N@H+](C)[C@H](CO)C1 ZINC000913544766 656286436 /nfs/dbraw/zinc/28/64/36/656286436.db2.gz LWVAPEYELUJFEA-CIUDSAMLSA-N 1 2 257.290 -1.382 20 0 CAADLO C[C@@H]1OC(=O)N[C@@H]1C(=O)N1CC[N@@H+](C)[C@H](CO)C1 ZINC000913544766 656286440 /nfs/dbraw/zinc/28/64/40/656286440.db2.gz LWVAPEYELUJFEA-CIUDSAMLSA-N 1 2 257.290 -1.382 20 0 CAADLO C[N@@H+]1CCN(C(=O)[C@@H]2CCc3nncn3C2)C[C@@H]1CO ZINC000913542187 656286462 /nfs/dbraw/zinc/28/64/62/656286462.db2.gz FCFAMQPXKPSEDP-GHMZBOCLSA-N 1 2 279.344 -1.025 20 0 CAADLO C[N@H+]1CCN(C(=O)[C@@H]2CCc3nncn3C2)C[C@@H]1CO ZINC000913542187 656286464 /nfs/dbraw/zinc/28/64/64/656286464.db2.gz FCFAMQPXKPSEDP-GHMZBOCLSA-N 1 2 279.344 -1.025 20 0 CAADLO CN1CC[C@H](C(=O)N2CC[N@H+](C)[C@H](CO)C2)CC1=O ZINC000913553364 656286472 /nfs/dbraw/zinc/28/64/72/656286472.db2.gz DUXNANDLNWMJOA-QWRGUYRKSA-N 1 2 269.345 -1.010 20 0 CAADLO CN1CC[C@H](C(=O)N2CC[N@@H+](C)[C@H](CO)C2)CC1=O ZINC000913553364 656286475 /nfs/dbraw/zinc/28/64/75/656286475.db2.gz DUXNANDLNWMJOA-QWRGUYRKSA-N 1 2 269.345 -1.010 20 0 CAADLO COCCN1C[C@@H](C(=O)N2CC[N@H+](C)[C@H](CO)C2)CC1=O ZINC000913553028 656286480 /nfs/dbraw/zinc/28/64/80/656286480.db2.gz AAKOHGJUBBIFRY-RYUDHWBXSA-N 1 2 299.371 -1.384 20 0 CAADLO COCCN1C[C@@H](C(=O)N2CC[N@@H+](C)[C@H](CO)C2)CC1=O ZINC000913553028 656286483 /nfs/dbraw/zinc/28/64/83/656286483.db2.gz AAKOHGJUBBIFRY-RYUDHWBXSA-N 1 2 299.371 -1.384 20 0 CAADLO CCS(=O)(=O)N[C@H](C)C(=O)N1CC[N@H+](C)[C@@H](CO)C1 ZINC000913542825 656286540 /nfs/dbraw/zinc/28/65/40/656286540.db2.gz SZNBFWYZYQBSMC-NXEZZACHSA-N 1 2 293.389 -1.551 20 0 CAADLO CCS(=O)(=O)N[C@H](C)C(=O)N1CC[N@@H+](C)[C@@H](CO)C1 ZINC000913542825 656286544 /nfs/dbraw/zinc/28/65/44/656286544.db2.gz SZNBFWYZYQBSMC-NXEZZACHSA-N 1 2 293.389 -1.551 20 0 CAADLO CCS(=O)(=O)N[C@H](C)C(=O)N1CC[N@H+](C)[C@H](CO)C1 ZINC000913542828 656286573 /nfs/dbraw/zinc/28/65/73/656286573.db2.gz SZNBFWYZYQBSMC-ZJUUUORDSA-N 1 2 293.389 -1.551 20 0 CAADLO CCS(=O)(=O)N[C@H](C)C(=O)N1CC[N@@H+](C)[C@H](CO)C1 ZINC000913542828 656286577 /nfs/dbraw/zinc/28/65/77/656286577.db2.gz SZNBFWYZYQBSMC-ZJUUUORDSA-N 1 2 293.389 -1.551 20 0 CAADLO C[N@@H+]1CCN(C(=O)[C@@H]2CC[C@H]2C(N)=O)C[C@@H]1CO ZINC000913542582 656286617 /nfs/dbraw/zinc/28/66/17/656286617.db2.gz NBVXASWNIGHBLS-OPRDCNLKSA-N 1 2 255.318 -1.367 20 0 CAADLO C[N@H+]1CCN(C(=O)[C@@H]2CC[C@H]2C(N)=O)C[C@@H]1CO ZINC000913542582 656286621 /nfs/dbraw/zinc/28/66/21/656286621.db2.gz NBVXASWNIGHBLS-OPRDCNLKSA-N 1 2 255.318 -1.367 20 0 CAADLO C[N@@H+]1CCN(C(=O)CSCC(N)=O)C[C@@H]1CO ZINC000913548986 656286894 /nfs/dbraw/zinc/28/68/94/656286894.db2.gz VRYKBNPKXZBUSK-MRVPVSSYSA-N 1 2 261.347 -1.660 20 0 CAADLO C[N@H+]1CCN(C(=O)CSCC(N)=O)C[C@@H]1CO ZINC000913548986 656286900 /nfs/dbraw/zinc/28/69/00/656286900.db2.gz VRYKBNPKXZBUSK-MRVPVSSYSA-N 1 2 261.347 -1.660 20 0 CAADLO C[N@@H+]1CCN(C(=O)[C@@H](O)C2CCOCC2)C[C@H]1CO ZINC000913548072 656286908 /nfs/dbraw/zinc/28/69/08/656286908.db2.gz CCWVEOBPVVLCSF-RYUDHWBXSA-N 1 2 272.345 -1.091 20 0 CAADLO C[N@H+]1CCN(C(=O)[C@@H](O)C2CCOCC2)C[C@H]1CO ZINC000913548072 656286912 /nfs/dbraw/zinc/28/69/12/656286912.db2.gz CCWVEOBPVVLCSF-RYUDHWBXSA-N 1 2 272.345 -1.091 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCC(=O)N2)C1 ZINC001030029895 656287019 /nfs/dbraw/zinc/28/70/19/656287019.db2.gz MRQSSZZXCDNQDH-LPEHRKFASA-N 1 2 282.344 -1.281 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CCC[C@H](NC(=O)[C@H]2CCC(=O)N2)C1 ZINC001030029895 656287023 /nfs/dbraw/zinc/28/70/23/656287023.db2.gz MRQSSZZXCDNQDH-LPEHRKFASA-N 1 2 282.344 -1.281 20 0 CAADLO C[C@@H](NS(C)(=O)=O)C(=O)N1CC[N@H+](C)[C@H](CO)C1 ZINC000913548726 656287221 /nfs/dbraw/zinc/28/72/21/656287221.db2.gz RRSZPGSDRHLXPY-BDAKNGLRSA-N 1 2 279.362 -1.941 20 0 CAADLO C[C@@H](NS(C)(=O)=O)C(=O)N1CC[N@@H+](C)[C@H](CO)C1 ZINC000913548726 656287224 /nfs/dbraw/zinc/28/72/24/656287224.db2.gz RRSZPGSDRHLXPY-BDAKNGLRSA-N 1 2 279.362 -1.941 20 0 CAADLO C[N@@H+]1CCN(C(=O)Cc2nc3ncccn3n2)C[C@H]1CO ZINC000913552944 656287264 /nfs/dbraw/zinc/28/72/64/656287264.db2.gz ZWDKDPDPZPGXME-JTQLQIEISA-N 1 2 290.327 -1.198 20 0 CAADLO C[N@H+]1CCN(C(=O)Cc2nc3ncccn3n2)C[C@H]1CO ZINC000913552944 656287267 /nfs/dbraw/zinc/28/72/67/656287267.db2.gz ZWDKDPDPZPGXME-JTQLQIEISA-N 1 2 290.327 -1.198 20 0 CAADLO C[N@@H+]1CCN(C(=O)c2ccc(C(N)=O)cn2)C[C@H]1CO ZINC000913550790 656287348 /nfs/dbraw/zinc/28/73/48/656287348.db2.gz BRMBSAVBTFNHRJ-JTQLQIEISA-N 1 2 278.312 -1.071 20 0 CAADLO C[N@H+]1CCN(C(=O)c2ccc(C(N)=O)cn2)C[C@H]1CO ZINC000913550790 656287351 /nfs/dbraw/zinc/28/73/51/656287351.db2.gz BRMBSAVBTFNHRJ-JTQLQIEISA-N 1 2 278.312 -1.071 20 0 CAADLO C[C@H](NS(C)(=O)=O)C(=O)N1CC[N@H+](C)[C@@H](CO)C1 ZINC000913548727 656287455 /nfs/dbraw/zinc/28/74/55/656287455.db2.gz RRSZPGSDRHLXPY-DTWKUNHWSA-N 1 2 279.362 -1.941 20 0 CAADLO C[C@H](NS(C)(=O)=O)C(=O)N1CC[N@@H+](C)[C@@H](CO)C1 ZINC000913548727 656287457 /nfs/dbraw/zinc/28/74/57/656287457.db2.gz RRSZPGSDRHLXPY-DTWKUNHWSA-N 1 2 279.362 -1.941 20 0 CAADLO C[N@@H+]1CCN(C(=O)c2ccc3nnnn3c2)C[C@@H]1CO ZINC000913549749 656287460 /nfs/dbraw/zinc/28/74/60/656287460.db2.gz FFWVBWZZLLEIES-SNVBAGLBSA-N 1 2 276.300 -1.127 20 0 CAADLO C[N@H+]1CCN(C(=O)c2ccc3nnnn3c2)C[C@@H]1CO ZINC000913549749 656287463 /nfs/dbraw/zinc/28/74/63/656287463.db2.gz FFWVBWZZLLEIES-SNVBAGLBSA-N 1 2 276.300 -1.127 20 0 CAADLO C[N@@H+]1CCN(C(=O)[C@@H]2CCCN2C(N)=O)C[C@@H]1CO ZINC000913550043 656287509 /nfs/dbraw/zinc/28/75/09/656287509.db2.gz LSPFHPSDYNXUNX-ZJUUUORDSA-N 1 2 270.333 -1.336 20 0 CAADLO C[N@H+]1CCN(C(=O)[C@@H]2CCCN2C(N)=O)C[C@@H]1CO ZINC000913550043 656287512 /nfs/dbraw/zinc/28/75/12/656287512.db2.gz LSPFHPSDYNXUNX-ZJUUUORDSA-N 1 2 270.333 -1.336 20 0 CAADLO COC(=O)[C@@H]1C[C@H]1C(=O)N1CC[N@H+](C)[C@@H](CO)C1 ZINC000913550975 656287629 /nfs/dbraw/zinc/28/76/29/656287629.db2.gz GGZRPWJGVUREBC-OPRDCNLKSA-N 1 2 256.302 -1.070 20 0 CAADLO COC(=O)[C@@H]1C[C@H]1C(=O)N1CC[N@@H+](C)[C@@H](CO)C1 ZINC000913550975 656287633 /nfs/dbraw/zinc/28/76/33/656287633.db2.gz GGZRPWJGVUREBC-OPRDCNLKSA-N 1 2 256.302 -1.070 20 0 CAADLO CC(=O)NC1C[NH+](C[C@H](O)CN2CCCC2=O)C1 ZINC001030037972 656289191 /nfs/dbraw/zinc/28/91/91/656289191.db2.gz DFCVFRZBPALZBY-NSHDSACASA-N 1 2 255.318 -1.210 20 0 CAADLO C[C@H](O)C[NH+]1CC(NC(=O)c2ccc(=O)[nH]n2)C1 ZINC001030078708 656290578 /nfs/dbraw/zinc/29/05/78/656290578.db2.gz BYPICVNVTGCBQZ-ZETCQYMHSA-N 1 2 252.274 -1.023 20 0 CAADLO COC(=O)[C@@H]1C[C@H]1C(=O)NC1C[NH+](CCCO)C1 ZINC001030150725 656293580 /nfs/dbraw/zinc/29/35/80/656293580.db2.gz CYANMTYWSOHEIV-NXEZZACHSA-N 1 2 256.302 -1.022 20 0 CAADLO COC(=O)[C@H]1C[C@H]1C(=O)NC1C[NH+](CCCO)C1 ZINC001030150743 656293942 /nfs/dbraw/zinc/29/39/42/656293942.db2.gz CYANMTYWSOHEIV-ZJUUUORDSA-N 1 2 256.302 -1.022 20 0 CAADLO C[C@@H](O)C[NH+]1CC(NC(=O)c2nccnc2N)C1 ZINC001030168993 656295920 /nfs/dbraw/zinc/29/59/20/656295920.db2.gz GQPLJNGYUOQYSG-SSDOTTSWSA-N 1 2 251.290 -1.146 20 0 CAADLO C[C@H](O)C[NH+]1CC(NC(=O)[C@H]2COCCN2C)C1 ZINC001030234897 656298426 /nfs/dbraw/zinc/29/84/26/656298426.db2.gz GCJBXLXUQYCHTG-GXSJLCMTSA-N 1 2 257.334 -1.502 20 0 CAADLO C[C@@H](O)C[NH+]1CC(NC(=O)CN2CN=NC2=O)C1 ZINC001030234989 656298492 /nfs/dbraw/zinc/29/84/92/656298492.db2.gz LMDQZHRQYHIUGD-SSDOTTSWSA-N 1 2 255.278 -1.835 20 0 CAADLO C[C@@H](O)C[NH+]1CC(NC(=O)[C@H]2COCCN2C)C1 ZINC001030234899 656298541 /nfs/dbraw/zinc/29/85/41/656298541.db2.gz GCJBXLXUQYCHTG-MWLCHTKSSA-N 1 2 257.334 -1.502 20 0 CAADLO COC[C@H](C)[NH+]1CC(NC(=O)CN2CN=NC2=O)C1 ZINC001030238578 656299469 /nfs/dbraw/zinc/29/94/69/656299469.db2.gz IPRIKZQEUBFRNY-QMMMGPOBSA-N 1 2 269.305 -1.181 20 0 CAADLO C[C@H](O)C[NH+]1CC(NC(=O)c2cnn(C)c2N)C1 ZINC001030243066 656299556 /nfs/dbraw/zinc/29/95/56/656299556.db2.gz RZNNTWUDFLSXDM-ZETCQYMHSA-N 1 2 253.306 -1.203 20 0 CAADLO C[C@@H](O)C[NH+]1CC(NC(=O)c2cnn(C)c2N)C1 ZINC001030243064 656299941 /nfs/dbraw/zinc/29/99/41/656299941.db2.gz RZNNTWUDFLSXDM-SSDOTTSWSA-N 1 2 253.306 -1.203 20 0 CAADLO CC(=O)N1CC(C(=O)NC2C[NH+](C[C@H](C)O)C2)C1 ZINC001030254752 656300197 /nfs/dbraw/zinc/30/01/97/656300197.db2.gz OQWXUHMJUFGGRI-QMMMGPOBSA-N 1 2 255.318 -1.354 20 0 CAADLO COCC[NH+]1CC(NC(=O)C2CN(C(C)=O)C2)C1 ZINC001030252596 656300311 /nfs/dbraw/zinc/30/03/11/656300311.db2.gz VGFXJLCKGZZKGF-UHFFFAOYSA-N 1 2 255.318 -1.089 20 0 CAADLO COC[C@H](C)[NH+]1CC(NC(=O)[C@@H]2COC(=O)N2)C1 ZINC001030266996 656300711 /nfs/dbraw/zinc/30/07/11/656300711.db2.gz FLDLHJMRQYYVAI-CBAPKCEASA-N 1 2 257.290 -1.070 20 0 CAADLO O=C(NC1C[NH+](CCn2cccn2)C1)[C@H]1COC(=O)N1 ZINC001030262176 656300743 /nfs/dbraw/zinc/30/07/43/656300743.db2.gz IWHHKRFUCFMMMT-SNVBAGLBSA-N 1 2 279.300 -1.208 20 0 CAADLO CO[C@H](C)C[NH+]1CC(NC(=O)[C@H]2COC(=O)N2)C1 ZINC001030266963 656300895 /nfs/dbraw/zinc/30/08/95/656300895.db2.gz DPFVWSMJJMVUAL-VXNVDRBHSA-N 1 2 257.290 -1.070 20 0 CAADLO O=C(NC1C[NH+](CCO)C1)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC001030309355 656303275 /nfs/dbraw/zinc/30/32/75/656303275.db2.gz HZUXXRIQXNAVFM-SECBINFHSA-N 1 2 293.327 -1.445 20 0 CAADLO COCCn1cc(C(=O)NC2C[NH+](C[C@@H](C)O)C2)nn1 ZINC001030298788 656303392 /nfs/dbraw/zinc/30/33/92/656303392.db2.gz AUOCMLPRMQEPGA-SECBINFHSA-N 1 2 283.332 -1.281 20 0 CAADLO Cn1cc(CC[NH+]2CC(NC(=O)Cn3ncnn3)C2)cn1 ZINC001030319540 656303956 /nfs/dbraw/zinc/30/39/56/656303956.db2.gz JOEDQESDSICBJP-UHFFFAOYSA-N 1 2 290.331 -1.550 20 0 CAADLO CO[C@@H](C)C[NH+]1CC(NC(=O)Cn2ncnn2)C1 ZINC001030319796 656303978 /nfs/dbraw/zinc/30/39/78/656303978.db2.gz VDOWJVPQPDRPJS-QMMMGPOBSA-N 1 2 254.294 -1.492 20 0 CAADLO COC[C@H](C)[NH+]1CC(NC(=O)Cn2ncnn2)C1 ZINC001030319071 656304264 /nfs/dbraw/zinc/30/42/64/656304264.db2.gz ATGQPSJLCBKUIX-QMMMGPOBSA-N 1 2 254.294 -1.492 20 0 CAADLO NC(=O)c1ncn(CC(=O)NC2C[NH+](CCO)C2)n1 ZINC001030339450 656304319 /nfs/dbraw/zinc/30/43/19/656304319.db2.gz UIPOXJWOGCTPLD-UHFFFAOYSA-N 1 2 268.277 -2.830 20 0 CAADLO CC1(C)CC(=O)N(CC(=O)NC2C[NH+](CCCO)C2)C1=O ZINC001030318733 656304479 /nfs/dbraw/zinc/30/44/79/656304479.db2.gz PVMHNSGWJBYBJH-UHFFFAOYSA-N 1 2 297.355 -1.046 20 0 CAADLO NC(=O)c1ncn(CC(=O)NC2C[NH+](CCCF)C2)n1 ZINC001030340497 656304986 /nfs/dbraw/zinc/30/49/86/656304986.db2.gz YPRVHZBUGPJULH-UHFFFAOYSA-N 1 2 284.295 -1.463 20 0 CAADLO C[C@H]1[C@@H](NC(=O)C(N)=O)CCN1C(=O)Cc1c[nH+]cn1C ZINC001011913813 656305179 /nfs/dbraw/zinc/30/51/79/656305179.db2.gz FNULZUUZBWPKAX-WPRPVWTQSA-N 1 2 293.327 -1.447 20 0 CAADLO O=C(NC1C[NH+](CCCO)C1)c1cccn2nnnc12 ZINC001030371357 656305647 /nfs/dbraw/zinc/30/56/47/656305647.db2.gz MTAVECSVOACUQV-UHFFFAOYSA-N 1 2 276.300 -1.079 20 0 CAADLO COCCN1C[C@H](C(=O)NC2C[NH+](CCO)C2)CC1=O ZINC001030392655 656306839 /nfs/dbraw/zinc/30/68/39/656306839.db2.gz HVOSRGNNPIVMFE-SNVBAGLBSA-N 1 2 285.344 -1.726 20 0 CAADLO COCC[NH+]1CC(NC(=O)[C@H]2CC(=O)N(C)C2)C1 ZINC001030391337 656307023 /nfs/dbraw/zinc/30/70/23/656307023.db2.gz ZJVQOLCHEJWMNO-VIFPVBQESA-N 1 2 255.318 -1.089 20 0 CAADLO CCN1C[C@@H](C(=O)NC2C[NH+](CCO)C2)CC1=O ZINC001030396665 656307226 /nfs/dbraw/zinc/30/72/26/656307226.db2.gz ZILUNVFGZGRDRF-VIFPVBQESA-N 1 2 255.318 -1.353 20 0 CAADLO C[C@H](C(=O)NC1C[NH+](CCO)C1)N1C(=O)CCC1=O ZINC001030397884 656307262 /nfs/dbraw/zinc/30/72/62/656307262.db2.gz QMOOBTPHFNOBJH-MRVPVSSYSA-N 1 2 269.301 -1.683 20 0 CAADLO NC(=O)C(=O)N1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)[C@@H](O)C1 ZINC000991716033 656307375 /nfs/dbraw/zinc/30/73/75/656307375.db2.gz CMXBAHTYNHHRLU-YUMQZZPRSA-N 1 2 295.299 -2.485 20 0 CAADLO COCC[NH+]1CC(NC(=O)Cn2ccc(=O)n(C)c2=O)C1 ZINC001030398234 656307404 /nfs/dbraw/zinc/30/74/04/656307404.db2.gz BSKUMXGOTSISSR-UHFFFAOYSA-N 1 2 296.327 -2.006 20 0 CAADLO COCC[NH+]1CC(NC(=O)[C@H](C)N2C(=O)CCC2=O)C1 ZINC001030396913 656307419 /nfs/dbraw/zinc/30/74/19/656307419.db2.gz PVZLYQPXFQVPQR-VIFPVBQESA-N 1 2 283.328 -1.029 20 0 CAADLO CCN1C[C@H](C(=O)NC2C[NH+](CCO)C2)CC1=O ZINC001030396664 656307487 /nfs/dbraw/zinc/30/74/87/656307487.db2.gz ZILUNVFGZGRDRF-SECBINFHSA-N 1 2 255.318 -1.353 20 0 CAADLO C[C@@H](O)C[NH+]1CC(NC(=O)[C@@H](C)N2C(=O)CCC2=O)C1 ZINC001030397312 656307504 /nfs/dbraw/zinc/30/75/04/656307504.db2.gz XZRBEUICBYBLGT-RKDXNWHRSA-N 1 2 283.328 -1.295 20 0 CAADLO NC(=O)C(=O)N1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)[C@@H](O)C1 ZINC000991716032 656307516 /nfs/dbraw/zinc/30/75/16/656307516.db2.gz CMXBAHTYNHHRLU-SFYZADRCSA-N 1 2 295.299 -2.485 20 0 CAADLO Cn1c(=O)ccn(CC(=O)NC2C[NH+](CCCO)C2)c1=O ZINC001030399496 656307711 /nfs/dbraw/zinc/30/77/11/656307711.db2.gz WKVQUYWTWHTKJX-UHFFFAOYSA-N 1 2 296.327 -2.270 20 0 CAADLO COCC(=O)N1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)[C@@H](O)C1 ZINC000991717406 656307737 /nfs/dbraw/zinc/30/77/37/656307737.db2.gz BZPVITSYUIVJKG-UWVGGRQHSA-N 1 2 296.327 -1.323 20 0 CAADLO COCC(=O)N1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)[C@@H](O)C1 ZINC000991717411 656307888 /nfs/dbraw/zinc/30/78/88/656307888.db2.gz BZPVITSYUIVJKG-ZJUUUORDSA-N 1 2 296.327 -1.323 20 0 CAADLO COCC(=O)N1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)[C@H](O)C1 ZINC000991717403 656308060 /nfs/dbraw/zinc/30/80/60/656308060.db2.gz BZPVITSYUIVJKG-NXEZZACHSA-N 1 2 296.327 -1.323 20 0 CAADLO O=C(CN1CCCS1(=O)=O)NC1C[NH+](CCO)C1 ZINC001030402983 656308978 /nfs/dbraw/zinc/30/89/78/656308978.db2.gz FRXNKCFIDSIBJC-UHFFFAOYSA-N 1 2 277.346 -2.185 20 0 CAADLO NC(=O)C(=O)N[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1O ZINC000991727526 656309539 /nfs/dbraw/zinc/30/95/39/656309539.db2.gz JYWMOEXCOFDDOU-SFYZADRCSA-N 1 2 295.299 -2.485 20 0 CAADLO NC(=O)C(=O)N[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1O ZINC000991753138 656311427 /nfs/dbraw/zinc/31/14/27/656311427.db2.gz WUFTVSPPLWHUIY-IUCAKERBSA-N 1 2 295.299 -2.485 20 0 CAADLO NC(=O)C(=O)N[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C[C@@H]1O ZINC000991748622 656311529 /nfs/dbraw/zinc/31/15/29/656311529.db2.gz SKRHKWIAKVTLOC-BDAKNGLRSA-N 1 2 295.299 -2.554 20 0 CAADLO NC(=O)C(=O)N[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1O ZINC000991753136 656311540 /nfs/dbraw/zinc/31/15/40/656311540.db2.gz WUFTVSPPLWHUIY-DTWKUNHWSA-N 1 2 295.299 -2.485 20 0 CAADLO O=C(C[C@@H]1CCC(=O)NC1)NC1C[NH+](CCO)C1 ZINC001030431303 656311630 /nfs/dbraw/zinc/31/16/30/656311630.db2.gz OZZRJFWZFHQRNP-VIFPVBQESA-N 1 2 255.318 -1.305 20 0 CAADLO NC(=O)C(=O)N[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C[C@@H]1O ZINC000991748627 656311658 /nfs/dbraw/zinc/31/16/58/656311658.db2.gz SKRHKWIAKVTLOC-IUCAKERBSA-N 1 2 295.299 -2.554 20 0 CAADLO NC(=O)C(=O)N[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C[C@H]1O ZINC000991748624 656311797 /nfs/dbraw/zinc/31/17/97/656311797.db2.gz SKRHKWIAKVTLOC-DTWKUNHWSA-N 1 2 295.299 -2.554 20 0 CAADLO COCC[NH+]1CC(NC(=O)C[C@@H]2CCNC2=O)C1 ZINC001030433372 656312006 /nfs/dbraw/zinc/31/20/06/656312006.db2.gz AMZUFFZSPNELCH-VIFPVBQESA-N 1 2 255.318 -1.041 20 0 CAADLO O=C(C[C@@H]1CCNC1=O)NC1C[NH+](CCCO)C1 ZINC001030434735 656312150 /nfs/dbraw/zinc/31/21/50/656312150.db2.gz BGHMUILDLFWFQA-VIFPVBQESA-N 1 2 255.318 -1.305 20 0 CAADLO C[C@H](O)C[NH+]1CC(NC(=O)C[C@H]2CCNC2=O)C1 ZINC001030434332 656312223 /nfs/dbraw/zinc/31/22/23/656312223.db2.gz VRXUNTHCNJTWGY-DTWKUNHWSA-N 1 2 255.318 -1.306 20 0 CAADLO C[C@H](O)C[NH+]1CC(NC(=O)CN2CCOCC2=O)C1 ZINC001030449417 656312690 /nfs/dbraw/zinc/31/26/90/656312690.db2.gz GEHPWEYJICIDQO-VIFPVBQESA-N 1 2 271.317 -1.974 20 0 CAADLO C[C@H](O)C[NH+]1CC(NC(=O)c2cc(=O)n(C)cn2)C1 ZINC001030464930 656313271 /nfs/dbraw/zinc/31/32/71/656313271.db2.gz BXSUVGZHRKUPOB-QMMMGPOBSA-N 1 2 266.301 -1.425 20 0 CAADLO Cn1cnc(C(=O)NC2C[NH+](CCCO)C2)cc1=O ZINC001030465085 656313314 /nfs/dbraw/zinc/31/33/14/656313314.db2.gz GEQQHXKWOJBNOZ-UHFFFAOYSA-N 1 2 266.301 -1.423 20 0 CAADLO O=C(NC1C[NH+](CCCO)C1)[C@H]1CCCNC1=O ZINC001030479292 656313845 /nfs/dbraw/zinc/31/38/45/656313845.db2.gz GWQICNIWUCPBNX-JTQLQIEISA-N 1 2 255.318 -1.305 20 0 CAADLO COCC[NH+]1CC(NC(=O)[C@@H]2CCCNC2=O)C1 ZINC001030478178 656313912 /nfs/dbraw/zinc/31/39/12/656313912.db2.gz AXXBLQOYOURPEX-SNVBAGLBSA-N 1 2 255.318 -1.041 20 0 CAADLO C[C@H](O)C[NH+]1CC(NC(=O)[C@@H]2CCCNC2=O)C1 ZINC001030478619 656313961 /nfs/dbraw/zinc/31/39/61/656313961.db2.gz OAVQJHRMRSIVIT-WCBMZHEXSA-N 1 2 255.318 -1.306 20 0 CAADLO C[C@@H](O)C[NH+]1CC(NC(=O)[C@H]2CCCNC2=O)C1 ZINC001030478618 656314187 /nfs/dbraw/zinc/31/41/87/656314187.db2.gz OAVQJHRMRSIVIT-SCZZXKLOSA-N 1 2 255.318 -1.306 20 0 CAADLO O=C(NC1C[NH+](CCCO)C1)[C@H]1CCCC(=O)N1 ZINC001030489410 656314553 /nfs/dbraw/zinc/31/45/53/656314553.db2.gz LEMFRIIHTVXMIG-SNVBAGLBSA-N 1 2 255.318 -1.162 20 0 CAADLO C[C@@H](O)C[NH+]1CC(NC(=O)c2cnc[nH]c2=O)C1 ZINC001030497781 656315168 /nfs/dbraw/zinc/31/51/68/656315168.db2.gz AFYGDTYKVDIWED-SSDOTTSWSA-N 1 2 252.274 -1.023 20 0 CAADLO C[C@@H](O)C[NH+]1CC(NC(=O)Cc2ccc(C(N)=O)nc2)C1 ZINC001030526147 656315513 /nfs/dbraw/zinc/31/55/13/656315513.db2.gz DTBHJAUQFMWPGD-SECBINFHSA-N 1 2 292.339 -1.096 20 0 CAADLO NC(=O)C(=O)N1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)[C@@H](O)C1 ZINC000991816751 656315655 /nfs/dbraw/zinc/31/56/55/656315655.db2.gz NYYADCVQMDDPLW-BDAKNGLRSA-N 1 2 295.299 -2.485 20 0 CAADLO NC(=O)C(=O)N1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)[C@H](O)C1 ZINC000991816766 656315773 /nfs/dbraw/zinc/31/57/73/656315773.db2.gz NYYADCVQMDDPLW-RKDXNWHRSA-N 1 2 295.299 -2.485 20 0 CAADLO NC(=O)c1ccc(CC(=O)NC2C[NH+](CCO)C2)cn1 ZINC001030527226 656315784 /nfs/dbraw/zinc/31/57/84/656315784.db2.gz NRIKROFSHCMVTK-UHFFFAOYSA-N 1 2 278.312 -1.484 20 0 CAADLO O=C(NC1C[NH+](CCO)C1)[C@@H]1CCC2N=NC(=O)N2C1 ZINC001030546960 656316145 /nfs/dbraw/zinc/31/61/45/656316145.db2.gz VJJLPASANHSQDY-MRVPVSSYSA-N 1 2 281.316 -1.661 20 0 CAADLO COCC[NH+]1CC(NC(=O)[C@@H]2CCC3N=NC(=O)N3C2)C1 ZINC001030546996 656316364 /nfs/dbraw/zinc/31/63/64/656316364.db2.gz WNPADYOVTJCCFU-SECBINFHSA-N 1 2 295.343 -1.007 20 0 CAADLO CNC(=O)CN1CC(NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001030544220 656316496 /nfs/dbraw/zinc/31/64/96/656316496.db2.gz FKBBPDHRDVQNJM-SNVBAGLBSA-N 1 2 291.355 -1.008 20 0 CAADLO CNC(=O)CN1CC(NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001030552068 656316691 /nfs/dbraw/zinc/31/66/91/656316691.db2.gz DOOAOOHWGRPZMJ-SNVBAGLBSA-N 1 2 291.355 -1.008 20 0 CAADLO NC(=O)CN1CC(NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001030554993 656316937 /nfs/dbraw/zinc/31/69/37/656316937.db2.gz RFMCWCKHWLPLFQ-SECBINFHSA-N 1 2 277.328 -1.269 20 0 CAADLO CN1CCN(CC(=O)NC2C[NH+](CCO)C2)CC1=O ZINC001030558312 656317034 /nfs/dbraw/zinc/31/70/34/656317034.db2.gz RLGJBHQIASUTKU-UHFFFAOYSA-N 1 2 270.333 -2.447 20 0 CAADLO CCN1CCOC[C@@H]1C(=O)NC1C[NH+](CCO)C1 ZINC001030573664 656317040 /nfs/dbraw/zinc/31/70/40/656317040.db2.gz NNGQANNAWYJIET-LLVKDONJSA-N 1 2 257.334 -1.500 20 0 CAADLO CNC(=O)CN1CC(NC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001030552067 656317087 /nfs/dbraw/zinc/31/70/87/656317087.db2.gz DOOAOOHWGRPZMJ-JTQLQIEISA-N 1 2 291.355 -1.008 20 0 CAADLO COC[C@H](C)[NH+]1CC(NC(=O)Cn2ncn(C)c2=O)C1 ZINC001030575188 656317189 /nfs/dbraw/zinc/31/71/89/656317189.db2.gz KFKVLIDMOLLLCB-VIFPVBQESA-N 1 2 283.332 -1.583 20 0 CAADLO C[C@@H](O)C[NH+]1CC(NC(=O)Cn2ncn(C)c2=O)C1 ZINC001030575340 656317386 /nfs/dbraw/zinc/31/73/86/656317386.db2.gz OLCVBIMOGWXGOU-MRVPVSSYSA-N 1 2 269.305 -2.237 20 0 CAADLO CCN1CCOC[C@H]1C(=O)NC1C[NH+](C[C@@H](C)O)C1 ZINC001030578341 656317415 /nfs/dbraw/zinc/31/74/15/656317415.db2.gz VGEMGOLEUBACSJ-PWSUYJOCSA-N 1 2 271.361 -1.112 20 0 CAADLO CCN1CCOC[C@@H]1C(=O)NC1C[NH+](C[C@H](C)O)C1 ZINC001030578339 656317505 /nfs/dbraw/zinc/31/75/05/656317505.db2.gz VGEMGOLEUBACSJ-CMPLNLGQSA-N 1 2 271.361 -1.112 20 0 CAADLO COC[C@@H](C)[NH+]1CC(NC(=O)Cn2ncn(C)c2=O)C1 ZINC001030575187 656317586 /nfs/dbraw/zinc/31/75/86/656317586.db2.gz KFKVLIDMOLLLCB-SECBINFHSA-N 1 2 283.332 -1.583 20 0 CAADLO COCC[NH+]1CC(NC(=O)[C@H]2CCC(=O)NC2)C1 ZINC001030591052 656317952 /nfs/dbraw/zinc/31/79/52/656317952.db2.gz WCVLQNZNQVMUEQ-VIFPVBQESA-N 1 2 255.318 -1.041 20 0 CAADLO O=C(Cn1nnc(-c2ccco2)n1)NC1C[NH+](CCO)C1 ZINC001030594634 656318674 /nfs/dbraw/zinc/31/86/74/656318674.db2.gz MEMODUOLKHOAQH-UHFFFAOYSA-N 1 2 292.299 -1.274 20 0 CAADLO O=C(CN1CCCCC1=O)NC1C[NH+](CCO)C1 ZINC001030602378 656320005 /nfs/dbraw/zinc/32/00/05/656320005.db2.gz PZJZIACXHQHRIQ-UHFFFAOYSA-N 1 2 255.318 -1.208 20 0 CAADLO COCCn1cc(C(=O)NC2C[NH+](CCO)C2)ccc1=O ZINC001030603875 656320017 /nfs/dbraw/zinc/32/00/17/656320017.db2.gz NSGHLDSCPMPGCU-UHFFFAOYSA-N 1 2 295.339 -1.099 20 0 CAADLO O=C(Cn1ncnn1)NC1CN(C(=O)Cn2cc[nH+]c2)C1 ZINC000991880495 656320083 /nfs/dbraw/zinc/32/00/83/656320083.db2.gz RRRAPMPEDVPTMU-UHFFFAOYSA-N 1 2 290.287 -2.103 20 0 CAADLO C[N@@H+]1CCN(C(=O)C2CN(S(C)(=O)=O)C2)C[C@@H]1CO ZINC000913555319 656321071 /nfs/dbraw/zinc/32/10/71/656321071.db2.gz AABPXXJUKNOLLU-SNVBAGLBSA-N 1 2 291.373 -1.987 20 0 CAADLO C[N@H+]1CCN(C(=O)C2CN(S(C)(=O)=O)C2)C[C@@H]1CO ZINC000913555319 656321075 /nfs/dbraw/zinc/32/10/75/656321075.db2.gz AABPXXJUKNOLLU-SNVBAGLBSA-N 1 2 291.373 -1.987 20 0 CAADLO C[C@H](O)C[NH+]1CC(NC(=O)c2ccc3nnnn3c2)C1 ZINC001030673811 656322193 /nfs/dbraw/zinc/32/21/93/656322193.db2.gz YZUBIBHZBGIHGS-QMMMGPOBSA-N 1 2 276.300 -1.081 20 0 CAADLO C[C@@H](O)C[NH+]1CC(NC(=O)c2ccc3nnnn3c2)C1 ZINC001030673810 656322405 /nfs/dbraw/zinc/32/24/05/656322405.db2.gz YZUBIBHZBGIHGS-MRVPVSSYSA-N 1 2 276.300 -1.081 20 0 CAADLO O=C(NC1C[NH+](CCCO)C1)c1ccc2nnnn2c1 ZINC001030673252 656322464 /nfs/dbraw/zinc/32/24/64/656322464.db2.gz KQQSAXXYIISXSQ-UHFFFAOYSA-N 1 2 276.300 -1.079 20 0 CAADLO C[N@@H+]1CCN(C(=O)[C@]2(C)CCC(=O)N2)C[C@@H]1CO ZINC000913558510 656323483 /nfs/dbraw/zinc/32/34/83/656323483.db2.gz PZCAWDBQFIZZLR-SKDRFNHKSA-N 1 2 255.318 -1.210 20 0 CAADLO C[N@H+]1CCN(C(=O)[C@]2(C)CCC(=O)N2)C[C@@H]1CO ZINC000913558510 656323486 /nfs/dbraw/zinc/32/34/86/656323486.db2.gz PZCAWDBQFIZZLR-SKDRFNHKSA-N 1 2 255.318 -1.210 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCN(C)C(=O)C2)C1 ZINC001014968217 656324208 /nfs/dbraw/zinc/32/42/08/656324208.db2.gz LNWAPGUHBRBBRC-WDEREUQCSA-N 1 2 296.371 -1.209 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CCN(C)C(=O)C2)C1 ZINC001014968217 656324212 /nfs/dbraw/zinc/32/42/12/656324212.db2.gz LNWAPGUHBRBBRC-WDEREUQCSA-N 1 2 296.371 -1.209 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCN(C)C(=O)C2)C1 ZINC001014968216 656324400 /nfs/dbraw/zinc/32/44/00/656324400.db2.gz LNWAPGUHBRBBRC-QWRGUYRKSA-N 1 2 296.371 -1.209 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCN(C)C(=O)C2)C1 ZINC001014968216 656324404 /nfs/dbraw/zinc/32/44/04/656324404.db2.gz LNWAPGUHBRBBRC-QWRGUYRKSA-N 1 2 296.371 -1.209 20 0 CAADLO Cn1cc(C(=O)NC2C[NH+](CCCO)C2)ncc1=O ZINC001030706883 656324439 /nfs/dbraw/zinc/32/44/39/656324439.db2.gz WERHZLANRHVAFV-UHFFFAOYSA-N 1 2 266.301 -1.423 20 0 CAADLO Cc1nc2n(n1)C[C@@H](C(=O)NC1C[NH+](CCO)C1)CC2 ZINC001030722347 656324933 /nfs/dbraw/zinc/32/49/33/656324933.db2.gz WUXHSBUYUJJFFW-JTQLQIEISA-N 1 2 279.344 -1.058 20 0 CAADLO COCc1nn(C)cc1C(=O)N[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001014993523 656325209 /nfs/dbraw/zinc/32/52/09/656325209.db2.gz BJBFZGKEFKOXON-VIFPVBQESA-N 1 2 295.343 -1.144 20 0 CAADLO COCc1nn(C)cc1C(=O)N[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001014993523 656325213 /nfs/dbraw/zinc/32/52/13/656325213.db2.gz BJBFZGKEFKOXON-VIFPVBQESA-N 1 2 295.343 -1.144 20 0 CAADLO CCCC[N@@H+]1CCOC[C@@H]1C(=O)NC1CN(CC(N)=O)C1 ZINC001030738151 656325367 /nfs/dbraw/zinc/32/53/67/656325367.db2.gz WOYPMGHOVGLTKM-GFCCVEGCSA-N 1 2 298.387 -1.227 20 0 CAADLO CCCC[N@H+]1CCOC[C@@H]1C(=O)NC1CN(CC(N)=O)C1 ZINC001030738151 656325369 /nfs/dbraw/zinc/32/53/69/656325369.db2.gz WOYPMGHOVGLTKM-GFCCVEGCSA-N 1 2 298.387 -1.227 20 0 CAADLO COCC[NH+]1CC(NC(=O)[C@]2(C)CNC(=O)C2)C1 ZINC001030727182 656325410 /nfs/dbraw/zinc/32/54/10/656325410.db2.gz PNZCOQSGMOTXRV-LBPRGKRZSA-N 1 2 255.318 -1.041 20 0 CAADLO C[C@@]1(C(=O)NC2C[NH+](CCCO)C2)CNC(=O)C1 ZINC001030727130 656325464 /nfs/dbraw/zinc/32/54/64/656325464.db2.gz OWNLOGRWPOHOGN-LBPRGKRZSA-N 1 2 255.318 -1.305 20 0 CAADLO C[C@H](O)C[NH+]1CC(NC(=O)[C@]2(C)CNC(=O)C2)C1 ZINC001030729240 656325576 /nfs/dbraw/zinc/32/55/76/656325576.db2.gz QBTIWLAJIJGHIG-UFBFGSQYSA-N 1 2 255.318 -1.306 20 0 CAADLO C[C@@H](O)C[NH+]1CC(NC(=O)[C@]2(C)CNC(=O)C2)C1 ZINC001030729237 656325585 /nfs/dbraw/zinc/32/55/85/656325585.db2.gz QBTIWLAJIJGHIG-PELKAZGASA-N 1 2 255.318 -1.306 20 0 CAADLO CO[C@H]1C[C@H](C(=O)NC2C[NH+](C[C@@H](C)O)C2)N(C(C)=O)C1 ZINC001030747905 656326225 /nfs/dbraw/zinc/32/62/25/656326225.db2.gz BFTQEIMDIXBYEZ-JIMOISOXSA-N 1 2 299.371 -1.197 20 0 CAADLO O=C(NC1C[NH+](CCO)C1)[C@@H]1CCNC(=O)CC1 ZINC001030745240 656326238 /nfs/dbraw/zinc/32/62/38/656326238.db2.gz YJLQHQWUUYHSMJ-VIFPVBQESA-N 1 2 255.318 -1.305 20 0 CAADLO O=C(Cn1nc2ccccn2c1=O)NC1C[NH+](CCO)C1 ZINC001030767005 656326710 /nfs/dbraw/zinc/32/67/10/656326710.db2.gz OTSLMKSSVMLVOK-UHFFFAOYSA-N 1 2 291.311 -1.711 20 0 CAADLO Cc1nn(C)c(=O)c(C(=O)NC2C[NH+](CCO)C2)c1C ZINC001030773172 656326759 /nfs/dbraw/zinc/32/67/59/656326759.db2.gz MMACTTWBTXIOOT-UHFFFAOYSA-N 1 2 280.328 -1.197 20 0 CAADLO CN1C(=O)CC[C@H]1CC(=O)NC1C[NH+](CCO)C1 ZINC001030782270 656327393 /nfs/dbraw/zinc/32/73/93/656327393.db2.gz VCFCVGRQIQTZEP-JTQLQIEISA-N 1 2 255.318 -1.210 20 0 CAADLO CCN1CCOC[C@@H]1C(=O)N[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001015025191 656327403 /nfs/dbraw/zinc/32/74/03/656327403.db2.gz QKFBBUJNDXGPQR-WDEREUQCSA-N 1 2 284.360 -1.617 20 0 CAADLO CCN1CCOC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001015025191 656327406 /nfs/dbraw/zinc/32/74/06/656327406.db2.gz QKFBBUJNDXGPQR-WDEREUQCSA-N 1 2 284.360 -1.617 20 0 CAADLO COCC[NH+]1CC(NC(=O)CN2CCNC(=O)C2)C1 ZINC001030785619 656327633 /nfs/dbraw/zinc/32/76/33/656327633.db2.gz CDGAQPLOJYJZSX-UHFFFAOYSA-N 1 2 270.333 -2.135 20 0 CAADLO Cn1c[nH+]cc1CN1CC(NC(=O)[C@H]2CCNC2=O)C1 ZINC001030788381 656328039 /nfs/dbraw/zinc/32/80/39/656328039.db2.gz UIRCJXSWBQAEBS-NSHDSACASA-N 1 2 277.328 -1.143 20 0 CAADLO COC[C@@H](C)[NH+]1CC(NC(=O)CN2CCNC(=O)C2)C1 ZINC001030787746 656328235 /nfs/dbraw/zinc/32/82/35/656328235.db2.gz OLCAGCDKLARDGW-SNVBAGLBSA-N 1 2 284.360 -1.747 20 0 CAADLO Cn1c[nH+]cc1CN1CC(NC(=O)[C@@H]2CCNC2=O)C1 ZINC001030788379 656328407 /nfs/dbraw/zinc/32/84/07/656328407.db2.gz UIRCJXSWBQAEBS-LLVKDONJSA-N 1 2 277.328 -1.143 20 0 CAADLO COCC[NH+]1CC(NC(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC001030790496 656328677 /nfs/dbraw/zinc/32/86/77/656328677.db2.gz FQZUISWEKNSEDX-VIFPVBQESA-N 1 2 256.306 -1.543 20 0 CAADLO COC[C@@H](C)[NH+]1CC(NC(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC001030790320 656329027 /nfs/dbraw/zinc/32/90/27/656329027.db2.gz CXXWRWAUBJLMQB-SCZZXKLOSA-N 1 2 270.333 -1.155 20 0 CAADLO CN1C[C@H](C(=O)NC2C[NH+](CCn3cccn3)C2)NC1=O ZINC001030790918 656329053 /nfs/dbraw/zinc/32/90/53/656329053.db2.gz MUGFLTKYEHHMKW-LLVKDONJSA-N 1 2 292.343 -1.293 20 0 CAADLO COCC[NH+]1CC(NC(=O)[C@H]2CC[C@@H]2C(N)=O)C1 ZINC001030792620 656329404 /nfs/dbraw/zinc/32/94/04/656329404.db2.gz QJIALKNAGFLYDD-UWVGGRQHSA-N 1 2 255.318 -1.055 20 0 CAADLO COCC[NH+]1CC(NC(=O)[C@@H]2CC[C@@H]2C(N)=O)C1 ZINC001030792621 656329683 /nfs/dbraw/zinc/32/96/83/656329683.db2.gz QJIALKNAGFLYDD-VHSXEESVSA-N 1 2 255.318 -1.055 20 0 CAADLO C[C@H](O)C[NH+]1CC(NC(=O)c2c[nH]c(=O)n2C)C1 ZINC001030795347 656330613 /nfs/dbraw/zinc/33/06/13/656330613.db2.gz SWSVMZLDVRZDOO-ZETCQYMHSA-N 1 2 254.290 -1.080 20 0 CAADLO Cn1c(C(=O)NC2C[NH+](CCCO)C2)c[nH]c1=O ZINC001030794984 656330907 /nfs/dbraw/zinc/33/09/07/656330907.db2.gz GNWSPPAGPKGKEQ-UHFFFAOYSA-N 1 2 254.290 -1.078 20 0 CAADLO C[C@@H](O)C[NH+]1CC(NC(=O)[C@@H]2CCC(=O)N2C)C1 ZINC001030804655 656331221 /nfs/dbraw/zinc/33/12/21/656331221.db2.gz AEGNHAMGUJUNDC-SCZZXKLOSA-N 1 2 255.318 -1.212 20 0 CAADLO C[C@H](O)C[NH+]1CC(NC(=O)[C@@H]2CCC(=O)N2C)C1 ZINC001030804656 656331390 /nfs/dbraw/zinc/33/13/90/656331390.db2.gz AEGNHAMGUJUNDC-WPRPVWTQSA-N 1 2 255.318 -1.212 20 0 CAADLO C[C@@H](O)C[NH+]1CC(NC(=O)[C@@H]2CCN(C)C2=O)C1 ZINC001030814082 656331929 /nfs/dbraw/zinc/33/19/29/656331929.db2.gz KGXNEUYOIFGQHV-SCZZXKLOSA-N 1 2 255.318 -1.354 20 0 CAADLO CN1CC[C@@H](C(=O)NC2C[NH+](CCCO)C2)C1=O ZINC001030812038 656332059 /nfs/dbraw/zinc/33/20/59/656332059.db2.gz HHOOEYKRBOLZLR-JTQLQIEISA-N 1 2 255.318 -1.353 20 0 CAADLO Cn1nnc2c1nccc2C(=O)NC1C[NH+](CCO)C1 ZINC001030854059 656333231 /nfs/dbraw/zinc/33/32/31/656333231.db2.gz SWCUROZPAATSAO-UHFFFAOYSA-N 1 2 276.300 -1.230 20 0 CAADLO CNC(=O)C[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCNC(=O)C2)C1 ZINC001007098504 656333421 /nfs/dbraw/zinc/33/34/21/656333421.db2.gz IPLYQXQQHPTTIP-QWRGUYRKSA-N 1 2 296.371 -1.161 20 0 CAADLO CNC(=O)C[N@H+]1CCC[C@H](NC(=O)[C@H]2CCNC(=O)C2)C1 ZINC001007098504 656333424 /nfs/dbraw/zinc/33/34/24/656333424.db2.gz IPLYQXQQHPTTIP-QWRGUYRKSA-N 1 2 296.371 -1.161 20 0 CAADLO COCC[NH+]1CC(NC(=O)c2c[nH]c(=O)cn2)C1 ZINC001030859647 656333988 /nfs/dbraw/zinc/33/39/88/656333988.db2.gz MJFXURVIFAIAMO-UHFFFAOYSA-N 1 2 252.274 -1.170 20 0 CAADLO O=C(NC1C[NH+](CCCO)C1)c1c[nH]c(=O)cn1 ZINC001030862447 656334115 /nfs/dbraw/zinc/33/41/15/656334115.db2.gz LECNSKCJKQNERH-UHFFFAOYSA-N 1 2 252.274 -1.434 20 0 CAADLO C[C@@H](O)C[NH+]1CC(NC(=O)c2c[nH]c(=O)cn2)C1 ZINC001030861362 656334229 /nfs/dbraw/zinc/33/42/29/656334229.db2.gz SEGHTYAPDCSUAJ-SSDOTTSWSA-N 1 2 252.274 -1.435 20 0 CAADLO COC[C@H](C)[NH+]1CC(NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001030875603 656334324 /nfs/dbraw/zinc/33/43/24/656334324.db2.gz FYYONTGCAJXSAD-CBAPKCEASA-N 1 2 256.306 -1.497 20 0 CAADLO CO[C@@H](C)C[NH+]1CC(NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001030878372 656335451 /nfs/dbraw/zinc/33/54/51/656335451.db2.gz OGPQXHRRZKJBKX-IONNQARKSA-N 1 2 256.306 -1.497 20 0 CAADLO COc1cc[nH+]c(CN2CC(NC(=O)C(N)=O)C2)c1 ZINC001030882037 656336283 /nfs/dbraw/zinc/33/62/83/656336283.db2.gz JYTFXHWRBHAYKG-UHFFFAOYSA-N 1 2 264.285 -1.124 20 0 CAADLO Cn1cc(C(=O)NC2C[NH+](CCCO)C2)[nH]c1=O ZINC001030892559 656337522 /nfs/dbraw/zinc/33/75/22/656337522.db2.gz FTMPADJJJCVPPM-UHFFFAOYSA-N 1 2 254.290 -1.078 20 0 CAADLO C[C@H](O)C[NH+]1CC(NC(=O)c2cn(C)c(=O)[nH]2)C1 ZINC001030900089 656337536 /nfs/dbraw/zinc/33/75/36/656337536.db2.gz UOMQPHQTJOSBDI-ZETCQYMHSA-N 1 2 254.290 -1.080 20 0 CAADLO Cn1c(=O)cccc1C(=O)NC1C[NH+](CCO)C1 ZINC001030929124 656337687 /nfs/dbraw/zinc/33/76/87/656337687.db2.gz LKQVHEYFBYKEIA-UHFFFAOYSA-N 1 2 251.286 -1.208 20 0 CAADLO C[C@@H](O)C[NH+]1CC(NC(=O)[C@]2(C)CCC(=O)N2)C1 ZINC001030913206 656337801 /nfs/dbraw/zinc/33/78/01/656337801.db2.gz ZTHAPBZOOSJBBB-PELKAZGASA-N 1 2 255.318 -1.164 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@]2(NC(=O)Cc3nnc[nH]3)CCC[C@@H]12 ZINC000992401072 656338263 /nfs/dbraw/zinc/33/82/63/656338263.db2.gz DXBXUWIOPBMXJK-NOZJJQNGSA-N 1 2 292.343 -1.054 20 0 CAADLO NC(=O)C[N@H+]1CC[C@]2(NC(=O)Cc3nnc[nH]3)CCC[C@@H]12 ZINC000992401072 656338264 /nfs/dbraw/zinc/33/82/64/656338264.db2.gz DXBXUWIOPBMXJK-NOZJJQNGSA-N 1 2 292.343 -1.054 20 0 CAADLO CCC[NH+]1CC(NC(=O)c2c[nH]nc2S(N)(=O)=O)C1 ZINC001030932421 656338961 /nfs/dbraw/zinc/33/89/61/656338961.db2.gz ZLGFRJBSIBDEKR-UHFFFAOYSA-N 1 2 287.345 -1.119 20 0 CAADLO COCC[NH+]1CC(NC(=O)[C@]2(C)CCNC2=O)C1 ZINC001030946538 656340433 /nfs/dbraw/zinc/34/04/33/656340433.db2.gz IJFVXDDFRMPANS-GFCCVEGCSA-N 1 2 255.318 -1.041 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cc(OC)n(C)n2)C1 ZINC001015213533 656340514 /nfs/dbraw/zinc/34/05/14/656340514.db2.gz WGQQYZPPSGNNMK-VIFPVBQESA-N 1 2 295.343 -1.021 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cc(OC)n(C)n2)C1 ZINC001015213533 656340517 /nfs/dbraw/zinc/34/05/17/656340517.db2.gz WGQQYZPPSGNNMK-VIFPVBQESA-N 1 2 295.343 -1.021 20 0 CAADLO CO[C@@H](C)C[NH+]1CC(NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001030949328 656340821 /nfs/dbraw/zinc/34/08/21/656340821.db2.gz GZAKSLSIPSJTQP-INTQDDNPSA-N 1 2 285.344 -1.145 20 0 CAADLO C[C@@]1(C(=O)NC2C[NH+](CCCO)C2)CCNC1=O ZINC001030948274 656340847 /nfs/dbraw/zinc/34/08/47/656340847.db2.gz GAKYNNACWSIWEW-GFCCVEGCSA-N 1 2 255.318 -1.305 20 0 CAADLO O=S(=O)(NCCn1cc[nH+]c1)[C@@H]1COC[C@H]1O ZINC000913854816 656340964 /nfs/dbraw/zinc/34/09/64/656340964.db2.gz TUMBHZXEODCLSL-RKDXNWHRSA-N 1 2 261.303 -1.438 20 0 CAADLO C[C@H](O)C[NH+]1CC(NC(=O)[C@]2(C)CCNC2=O)C1 ZINC001030947188 656340970 /nfs/dbraw/zinc/34/09/70/656340970.db2.gz QTNGLNTVFSSTDW-QPUJVOFHSA-N 1 2 255.318 -1.306 20 0 CAADLO C[C@@H](O)C[NH+]1CC(NC(=O)[C@]2(C)CCNC2=O)C1 ZINC001030947187 656341132 /nfs/dbraw/zinc/34/11/32/656341132.db2.gz QTNGLNTVFSSTDW-PRHODGIISA-N 1 2 255.318 -1.306 20 0 CAADLO CO[C@@H](C)C[NH+]1CC(NC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001030967498 656342696 /nfs/dbraw/zinc/34/26/96/656342696.db2.gz YMBQETTZEMGQAA-SFGNSQDASA-N 1 2 255.318 -1.057 20 0 CAADLO C[C@H](O)C[NH+]1CC(NC(=O)c2ccc(C(N)=O)[nH]2)C1 ZINC001030970522 656343060 /nfs/dbraw/zinc/34/30/60/656343060.db2.gz RXVWPACUSUZNTA-ZETCQYMHSA-N 1 2 266.301 -1.092 20 0 CAADLO O=C(Cn1nnc2c1CCCC2)NC1C[NH+](CCO)C1 ZINC001030970958 656343515 /nfs/dbraw/zinc/34/35/15/656343515.db2.gz NFNRSUIPXCOQPH-UHFFFAOYSA-N 1 2 279.344 -1.050 20 0 CAADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC1CN(CC(N)=O)C1 ZINC001030976983 656343649 /nfs/dbraw/zinc/34/36/49/656343649.db2.gz DRRUVRQQLVEVGB-NXEZZACHSA-N 1 2 277.328 -1.191 20 0 CAADLO O=C(NC1C[NH+](CCO)C1)[C@H]1CCc2nnnn2CC1 ZINC001030986566 656343984 /nfs/dbraw/zinc/34/39/84/656343984.db2.gz PGUIBEWMZMSTMQ-VIFPVBQESA-N 1 2 280.332 -1.582 20 0 CAADLO O=C(NC1C[NH+](CCCO)C1)[C@H]1CCc2nnnn2CC1 ZINC001030986674 656344055 /nfs/dbraw/zinc/34/40/55/656344055.db2.gz VGTXLJAASUBSKQ-JTQLQIEISA-N 1 2 294.359 -1.192 20 0 CAADLO C[C@@H](O)C[NH+]1CC(NC(=O)[C@@H]2CCc3nnnn3CC2)C1 ZINC001030985044 656344095 /nfs/dbraw/zinc/34/40/95/656344095.db2.gz URGJHQMAPMATEK-NXEZZACHSA-N 1 2 294.359 -1.193 20 0 CAADLO Cc1cc(CC(=O)N[C@@H]2CC[N@H+](CC(N)=O)C2)n(C)n1 ZINC001015256369 656344126 /nfs/dbraw/zinc/34/41/26/656344126.db2.gz FMVMAOVHDIKBKS-SNVBAGLBSA-N 1 2 279.344 -1.053 20 0 CAADLO Cc1cc(CC(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C2)n(C)n1 ZINC001015256369 656344129 /nfs/dbraw/zinc/34/41/29/656344129.db2.gz FMVMAOVHDIKBKS-SNVBAGLBSA-N 1 2 279.344 -1.053 20 0 CAADLO C[C@@H](C(=O)NC1C[NH+](CCO)C1)[C@H]1CCC(=O)N1 ZINC001030990273 656344500 /nfs/dbraw/zinc/34/45/00/656344500.db2.gz DFQDIFOCFSBPPG-PSASIEDQSA-N 1 2 255.318 -1.306 20 0 CAADLO C[C@H](C(=O)NC1C[NH+](CCO)C1)[C@H]1CCC(=O)N1 ZINC001030990275 656344735 /nfs/dbraw/zinc/34/47/35/656344735.db2.gz DFQDIFOCFSBPPG-WCBMZHEXSA-N 1 2 255.318 -1.306 20 0 CAADLO C[C@H](C(=O)NC1C[NH+](CCO)C1)[C@@H]1CCC(=O)N1 ZINC001030990276 656344879 /nfs/dbraw/zinc/34/48/79/656344879.db2.gz DFQDIFOCFSBPPG-WPRPVWTQSA-N 1 2 255.318 -1.306 20 0 CAADLO Cn1nnc(CN2CC(NC(=O)Cc3c[nH]c[nH+]3)C2)n1 ZINC001031017099 656345103 /nfs/dbraw/zinc/34/51/03/656345103.db2.gz LGMWDTCRDGMDCU-UHFFFAOYSA-N 1 2 276.304 -1.524 20 0 CAADLO Cn1nnnc1CN1CC(NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001031016367 656345139 /nfs/dbraw/zinc/34/51/39/656345139.db2.gz AXSRGIVQLFUITH-UHFFFAOYSA-N 1 2 276.304 -1.524 20 0 CAADLO O=C(NC1C[NH+](CCCO)C1)[C@@H]1CC(=O)NC(=O)N1 ZINC001031022129 656345317 /nfs/dbraw/zinc/34/53/17/656345317.db2.gz VVYPTZOMERDXKC-QMMMGPOBSA-N 1 2 270.289 -2.233 20 0 CAADLO O=C(Cc1c[nH]c[nH+]1)NC1CN([C@@H]2CCNC2=O)C1 ZINC001031017406 656345350 /nfs/dbraw/zinc/34/53/50/656345350.db2.gz ZYQPOYDTDDUEAD-SNVBAGLBSA-N 1 2 263.301 -1.359 20 0 CAADLO O=C(Cc1c[nH]c[nH+]1)NC1CN([C@H]2CCC(=O)NC2=O)C1 ZINC001031016642 656345461 /nfs/dbraw/zinc/34/54/61/656345461.db2.gz QTCKYZACFXNNMF-JTQLQIEISA-N 1 2 291.311 -1.442 20 0 CAADLO CS(=O)(=O)CCN1CC(NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001031016414 656345554 /nfs/dbraw/zinc/34/55/54/656345554.db2.gz BTJNIVXQZLOHPS-UHFFFAOYSA-N 1 2 286.357 -1.203 20 0 CAADLO C[C@@H](O)C[NH+]1CC(NC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001031026013 656345665 /nfs/dbraw/zinc/34/56/65/656345665.db2.gz LGHWARJFSTUKLJ-SVRRBLITSA-N 1 2 270.289 -2.234 20 0 CAADLO CNC(=O)[C@@H](C)N1CC(NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001031016587 656345690 /nfs/dbraw/zinc/34/56/90/656345690.db2.gz PIWMKDSQROYXKP-MRVPVSSYSA-N 1 2 265.317 -1.113 20 0 CAADLO Cc1ccn(CC(=O)NC2C[NH+](CCO)C2)c(=O)c1 ZINC001031029178 656345795 /nfs/dbraw/zinc/34/57/95/656345795.db2.gz GKXZMLSRIOSBCU-UHFFFAOYSA-N 1 2 265.313 -1.051 20 0 CAADLO COCC[NH+]1CC(NC(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC001031040856 656346383 /nfs/dbraw/zinc/34/63/83/656346383.db2.gz RDVLXYUTCUTUFT-UHFFFAOYSA-N 1 2 296.327 -1.856 20 0 CAADLO Cn1cc(C(=O)NC2C[NH+](CCCO)C2)c(=O)n(C)c1=O ZINC001031040197 656346430 /nfs/dbraw/zinc/34/64/30/656346430.db2.gz ATSHBQOIENOTEC-UHFFFAOYSA-N 1 2 296.327 -2.120 20 0 CAADLO O=C(Cn1ncn2nccc2c1=O)NC1C[NH+](CCO)C1 ZINC001031041732 656346795 /nfs/dbraw/zinc/34/67/95/656346795.db2.gz WRBCOHLRNYSTPY-UHFFFAOYSA-N 1 2 292.299 -2.316 20 0 CAADLO CN1C(=O)C(=O)N(CC(=O)NC2C[NH+](CCO)C2)C1=O ZINC001031041884 656347131 /nfs/dbraw/zinc/34/71/31/656347131.db2.gz CPTNQVRCJSFGJS-UHFFFAOYSA-N 1 2 284.272 -2.800 20 0 CAADLO O=S(=O)(N[C@@H]1CCc2[nH+]ccn2C1)[C@@H]1COC[C@H]1O ZINC000914304554 656347356 /nfs/dbraw/zinc/34/73/56/656347356.db2.gz BRGINALGBMDFJR-OPRDCNLKSA-N 1 2 287.341 -1.123 20 0 CAADLO O=S(=O)(N[C@H]1CCc2[nH+]ccn2C1)[C@@H]1COC[C@H]1O ZINC000914304553 656347401 /nfs/dbraw/zinc/34/74/01/656347401.db2.gz BRGINALGBMDFJR-IVZWLZJFSA-N 1 2 287.341 -1.123 20 0 CAADLO COCC[NH+]1CC(NC(=O)CN2C(=O)C(=O)N(C)C2=O)C1 ZINC001031042388 656347405 /nfs/dbraw/zinc/34/74/05/656347405.db2.gz OQRZURRCVZQGLW-UHFFFAOYSA-N 1 2 298.299 -2.146 20 0 CAADLO CC(=O)N[C@H]1CCC[N@H+](CC(=O)N2CCNC(=O)C2)[C@H]1C ZINC000992911468 656348570 /nfs/dbraw/zinc/34/85/70/656348570.db2.gz AGCPOIDIZJCJGG-JQWIXIFHSA-N 1 2 296.371 -1.066 20 0 CAADLO CC(=O)N[C@H]1CCC[N@@H+](CC(=O)N2CCNC(=O)C2)[C@H]1C ZINC000992911468 656348571 /nfs/dbraw/zinc/34/85/71/656348571.db2.gz AGCPOIDIZJCJGG-JQWIXIFHSA-N 1 2 296.371 -1.066 20 0 CAADLO O=C(NC1C[NH+](CCCO)C1)C1CC2(C1)NC(=O)NC2=O ZINC001031091222 656348907 /nfs/dbraw/zinc/34/89/07/656348907.db2.gz UCQLBZNKDZGEAE-UHFFFAOYSA-N 1 2 296.327 -1.843 20 0 CAADLO O=C(C[C@@H]1CCC(=O)N1)NC1C[NH+](CCCO)C1 ZINC001031093502 656348925 /nfs/dbraw/zinc/34/89/25/656348925.db2.gz GCAYNKBEVOLXJO-VIFPVBQESA-N 1 2 255.318 -1.162 20 0 CAADLO C[C@H](O)C[NH+]1CC(NC(=O)C2CC3(C2)NC(=O)NC3=O)C1 ZINC001031090924 656349162 /nfs/dbraw/zinc/34/91/62/656349162.db2.gz KZTCZYSATIGOSU-DWHFKYGWSA-N 1 2 296.327 -1.844 20 0 CAADLO O=C(NC1C[NH+](CCO)C1)C1CC(=O)NC(=O)C1 ZINC001031099569 656349323 /nfs/dbraw/zinc/34/93/23/656349323.db2.gz NCOKPCRNIFBYCB-UHFFFAOYSA-N 1 2 255.274 -2.168 20 0 CAADLO C[C@H](O)C[NH+]1CC(NC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001031098150 656349379 /nfs/dbraw/zinc/34/93/79/656349379.db2.gz PGSMFXUNXFJJGR-ZETCQYMHSA-N 1 2 269.301 -1.780 20 0 CAADLO C[C@@H](O)C[NH+]1CC(NC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001031098149 656349413 /nfs/dbraw/zinc/34/94/13/656349413.db2.gz PGSMFXUNXFJJGR-SSDOTTSWSA-N 1 2 269.301 -1.780 20 0 CAADLO CO[C@@H](C)C[NH+]1CC(NC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001031097773 656349512 /nfs/dbraw/zinc/34/95/12/656349512.db2.gz JKHGHIRTGBLKDC-QMMMGPOBSA-N 1 2 283.328 -1.126 20 0 CAADLO C[C@H](O)C[NH+]1CC(NC(=O)C[C@@H]2CCC(=O)N2)C1 ZINC001031093693 656349561 /nfs/dbraw/zinc/34/95/61/656349561.db2.gz JIJLQYKTTDGVNU-IUCAKERBSA-N 1 2 255.318 -1.164 20 0 CAADLO O=C(NC1C[NH+](CCO)C1)c1ccc2n[nH]c(=O)n2c1 ZINC001031095805 656349638 /nfs/dbraw/zinc/34/96/38/656349638.db2.gz WQYXZOXKSYZSLM-UHFFFAOYSA-N 1 2 277.284 -1.159 20 0 CAADLO C[C@H]1[C@@H](NC(=O)Cn2cnnn2)CCC[N@@H+]1CC(N)=O ZINC000993011987 656349961 /nfs/dbraw/zinc/34/99/61/656349961.db2.gz JGBUUUTVXWDLQV-IUCAKERBSA-N 1 2 281.320 -1.873 20 0 CAADLO C[C@H]1[C@@H](NC(=O)Cn2cnnn2)CCC[N@H+]1CC(N)=O ZINC000993011987 656349965 /nfs/dbraw/zinc/34/99/65/656349965.db2.gz JGBUUUTVXWDLQV-IUCAKERBSA-N 1 2 281.320 -1.873 20 0 CAADLO CCn1nc(C(=O)NC2C[NH+](CCO)C2)ccc1=O ZINC001031117738 656350062 /nfs/dbraw/zinc/35/00/62/656350062.db2.gz LTWLFDVMDBKSGL-UHFFFAOYSA-N 1 2 266.301 -1.331 20 0 CAADLO Cc1cc2[nH]c(=O)c(C(=O)NC3C[NH+](CCO)C3)cn2n1 ZINC001031101332 656350142 /nfs/dbraw/zinc/35/01/42/656350142.db2.gz GFNFTQKVEVZDBO-UHFFFAOYSA-N 1 2 291.311 -1.263 20 0 CAADLO C[C@@H]1[C@@H](NC(=O)Cn2cnnn2)CCC[N@@H+]1CC(N)=O ZINC000993011966 656350191 /nfs/dbraw/zinc/35/01/91/656350191.db2.gz JGBUUUTVXWDLQV-BDAKNGLRSA-N 1 2 281.320 -1.873 20 0 CAADLO C[C@@H]1[C@@H](NC(=O)Cn2cnnn2)CCC[N@H+]1CC(N)=O ZINC000993011966 656350193 /nfs/dbraw/zinc/35/01/93/656350193.db2.gz JGBUUUTVXWDLQV-BDAKNGLRSA-N 1 2 281.320 -1.873 20 0 CAADLO COC[C@@H](C)[NH+]1CC(NC(=O)CN2CC(=O)NC2=O)C1 ZINC001031113488 656350287 /nfs/dbraw/zinc/35/02/87/656350287.db2.gz ABDFILXSEPUEBP-MRVPVSSYSA-N 1 2 284.316 -1.627 20 0 CAADLO C[C@H]1[C@H](NC(=O)Cn2cnnn2)CCC[N@@H+]1CC(N)=O ZINC000993011985 656350291 /nfs/dbraw/zinc/35/02/91/656350291.db2.gz JGBUUUTVXWDLQV-DTWKUNHWSA-N 1 2 281.320 -1.873 20 0 CAADLO C[C@H]1[C@H](NC(=O)Cn2cnnn2)CCC[N@H+]1CC(N)=O ZINC000993011985 656350293 /nfs/dbraw/zinc/35/02/93/656350293.db2.gz JGBUUUTVXWDLQV-DTWKUNHWSA-N 1 2 281.320 -1.873 20 0 CAADLO O=C(C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCNC2=O)C1)NC1CC1 ZINC001015506393 656351035 /nfs/dbraw/zinc/35/10/35/656351035.db2.gz XUVXTYRHKPMFBM-GHMZBOCLSA-N 1 2 294.355 -1.408 20 0 CAADLO O=C(C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCNC2=O)C1)NC1CC1 ZINC001015506393 656351039 /nfs/dbraw/zinc/35/10/39/656351039.db2.gz XUVXTYRHKPMFBM-GHMZBOCLSA-N 1 2 294.355 -1.408 20 0 CAADLO CO[C@@H](C)C[NH+]1CC(NC(=O)CN2CC(=O)NC2=O)C1 ZINC001031116985 656351120 /nfs/dbraw/zinc/35/11/20/656351120.db2.gz FNGXICXJKMWXJF-QMMMGPOBSA-N 1 2 284.316 -1.627 20 0 CAADLO O=C(C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCNC2=O)C1)NC1CC1 ZINC001015506408 656351206 /nfs/dbraw/zinc/35/12/06/656351206.db2.gz XUVXTYRHKPMFBM-QWRGUYRKSA-N 1 2 294.355 -1.408 20 0 CAADLO O=C(C[N@H+]1CC[C@H](NC(=O)[C@H]2CCNC2=O)C1)NC1CC1 ZINC001015506408 656351208 /nfs/dbraw/zinc/35/12/08/656351208.db2.gz XUVXTYRHKPMFBM-QWRGUYRKSA-N 1 2 294.355 -1.408 20 0 CAADLO C[C@H](O)C[NH+]1CC(NC(=O)c2nc3ncccn3n2)C1 ZINC001031126397 656351334 /nfs/dbraw/zinc/35/13/34/656351334.db2.gz SNKNGAORHXPYRU-QMMMGPOBSA-N 1 2 276.300 -1.081 20 0 CAADLO CNC(=O)[C@H](C)N1CC(NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001031145388 656351813 /nfs/dbraw/zinc/35/18/13/656351813.db2.gz XTKJMYHEDVKTLX-QMMMGPOBSA-N 1 2 265.317 -1.113 20 0 CAADLO CNC(=O)CN1CC(NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001031145214 656351932 /nfs/dbraw/zinc/35/19/32/656351932.db2.gz OWGMTNZQVYDDSK-UHFFFAOYSA-N 1 2 251.290 -1.501 20 0 CAADLO CS(=O)(=O)CCN1CC(NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001031145252 656352000 /nfs/dbraw/zinc/35/20/00/656352000.db2.gz QOWDLKOOYCORRB-UHFFFAOYSA-N 1 2 286.357 -1.203 20 0 CAADLO Cn1nnc(CN2CC(NC(=O)Cc3[nH]cc[nH+]3)C2)n1 ZINC001031145325 656352062 /nfs/dbraw/zinc/35/20/62/656352062.db2.gz UEDNDKKEUJPELO-UHFFFAOYSA-N 1 2 276.304 -1.524 20 0 CAADLO Cn1nnc(C(=O)N[C@@H]2CC[N@@H+]([C@H]3CCN(C)C3=O)C2)n1 ZINC001015548222 656352257 /nfs/dbraw/zinc/35/22/57/656352257.db2.gz BFOSFDPBOCJFFU-BDAKNGLRSA-N 1 2 293.331 -1.755 20 0 CAADLO Cn1nnc(C(=O)N[C@@H]2CC[N@H+]([C@H]3CCN(C)C3=O)C2)n1 ZINC001015548222 656352261 /nfs/dbraw/zinc/35/22/61/656352261.db2.gz BFOSFDPBOCJFFU-BDAKNGLRSA-N 1 2 293.331 -1.755 20 0 CAADLO COCC(COC)[N@@H+]1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC000929842203 656352566 /nfs/dbraw/zinc/35/25/66/656352566.db2.gz GEIGAEAZAUTINR-SECBINFHSA-N 1 2 271.317 -1.710 20 0 CAADLO COCC(COC)[N@H+]1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC000929842203 656352572 /nfs/dbraw/zinc/35/25/72/656352572.db2.gz GEIGAEAZAUTINR-SECBINFHSA-N 1 2 271.317 -1.710 20 0 CAADLO Cn1nnc(C(=O)N[C@@H]2CC[N@H+](Cc3ccnn3C)C2)n1 ZINC001015548244 656352808 /nfs/dbraw/zinc/35/28/08/656352808.db2.gz BGUHEKKPANFLLG-SECBINFHSA-N 1 2 290.331 -1.052 20 0 CAADLO Cn1nnc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccnn3C)C2)n1 ZINC001015548244 656352810 /nfs/dbraw/zinc/35/28/10/656352810.db2.gz BGUHEKKPANFLLG-SECBINFHSA-N 1 2 290.331 -1.052 20 0 CAADLO O=C1NC[C@H]2C[N@H+](C[C@H]3CCC4(COC4)O3)CCN2C1=O ZINC000929845693 656353311 /nfs/dbraw/zinc/35/33/11/656353311.db2.gz YDRXPRKIZIDDFD-WDEREUQCSA-N 1 2 295.339 -1.423 20 0 CAADLO O=C1NC[C@H]2C[N@@H+](C[C@H]3CCC4(COC4)O3)CCN2C1=O ZINC000929845693 656353313 /nfs/dbraw/zinc/35/33/13/656353313.db2.gz YDRXPRKIZIDDFD-WDEREUQCSA-N 1 2 295.339 -1.423 20 0 CAADLO C[C@H](O)C[NH+]1CC(NC(=O)CN2C(=O)NC(=O)C2(C)C)C1 ZINC001031200685 656354572 /nfs/dbraw/zinc/35/45/72/656354572.db2.gz UMTHTMCUKJPMIP-QMMMGPOBSA-N 1 2 298.343 -1.502 20 0 CAADLO O=C(Cn1nc2n(c1=O)CCCC2)NC1C[NH+](CCO)C1 ZINC001031213943 656354854 /nfs/dbraw/zinc/35/48/54/656354854.db2.gz PBJRUPLSKINHMM-UHFFFAOYSA-N 1 2 295.343 -1.826 20 0 CAADLO COC[C@H](C)[NH+]1CC(NC(=O)CN2CCC(=O)NC2=O)C1 ZINC001031211846 656355267 /nfs/dbraw/zinc/35/52/67/656355267.db2.gz UNEXQKYQMMFPLJ-VIFPVBQESA-N 1 2 298.343 -1.236 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCc3nn[nH]c32)C1 ZINC001015620338 656355539 /nfs/dbraw/zinc/35/55/39/656355539.db2.gz KIFJECPMDIOPBT-BDAKNGLRSA-N 1 2 292.343 -1.100 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CCCc3nn[nH]c32)C1 ZINC001015620338 656355540 /nfs/dbraw/zinc/35/55/40/656355540.db2.gz KIFJECPMDIOPBT-BDAKNGLRSA-N 1 2 292.343 -1.100 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCc3nn[nH]c32)C1 ZINC001015620343 656355954 /nfs/dbraw/zinc/35/59/54/656355954.db2.gz KIFJECPMDIOPBT-DTWKUNHWSA-N 1 2 292.343 -1.100 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCc3nn[nH]c32)C1 ZINC001015620343 656355957 /nfs/dbraw/zinc/35/59/57/656355957.db2.gz KIFJECPMDIOPBT-DTWKUNHWSA-N 1 2 292.343 -1.100 20 0 CAADLO C[C@H]1[C@@H](NC(=O)c2cn(C)nn2)CCC[N@@H+]1CC(N)=O ZINC000993298127 656356292 /nfs/dbraw/zinc/35/62/92/656356292.db2.gz LNDIWOSHMKNGKM-IUCAKERBSA-N 1 2 280.332 -1.117 20 0 CAADLO C[C@H]1[C@@H](NC(=O)c2cn(C)nn2)CCC[N@H+]1CC(N)=O ZINC000993298127 656356295 /nfs/dbraw/zinc/35/62/95/656356295.db2.gz LNDIWOSHMKNGKM-IUCAKERBSA-N 1 2 280.332 -1.117 20 0 CAADLO C[C@@H]1[C@H](NC(=O)c2cnnn2C)CCC[N@@H+]1CC(N)=O ZINC000993280021 656356303 /nfs/dbraw/zinc/35/63/03/656356303.db2.gz MRJGBESZOWEJJR-RKDXNWHRSA-N 1 2 280.332 -1.117 20 0 CAADLO C[C@@H]1[C@H](NC(=O)c2cnnn2C)CCC[N@H+]1CC(N)=O ZINC000993280021 656356306 /nfs/dbraw/zinc/35/63/06/656356306.db2.gz MRJGBESZOWEJJR-RKDXNWHRSA-N 1 2 280.332 -1.117 20 0 CAADLO Cn1ccc(C[N@@H+]2CC[C@@H](NC(=O)[C@H]3CNC(=O)N3)C2)n1 ZINC001015635027 656356414 /nfs/dbraw/zinc/35/64/14/656356414.db2.gz PQENVMQONSGFJN-MWLCHTKSSA-N 1 2 292.343 -1.208 20 0 CAADLO Cn1ccc(C[N@H+]2CC[C@@H](NC(=O)[C@H]3CNC(=O)N3)C2)n1 ZINC001015635027 656356419 /nfs/dbraw/zinc/35/64/19/656356419.db2.gz PQENVMQONSGFJN-MWLCHTKSSA-N 1 2 292.343 -1.208 20 0 CAADLO C[C@H]1CCCN(C(=O)C[N@@H+]2CC[C@H](NC(=O)C(N)=O)C2)C1 ZINC001015637871 656356632 /nfs/dbraw/zinc/35/66/32/656356632.db2.gz TYWVFYRRCHROAO-QWRGUYRKSA-N 1 2 296.371 -1.079 20 0 CAADLO C[C@H]1CCCN(C(=O)C[N@H+]2CC[C@H](NC(=O)C(N)=O)C2)C1 ZINC001015637871 656356635 /nfs/dbraw/zinc/35/66/35/656356635.db2.gz TYWVFYRRCHROAO-QWRGUYRKSA-N 1 2 296.371 -1.079 20 0 CAADLO Cn1ccc(C[N@@H+]2CC[C@@H](NC(=O)[C@@H]3CNC(=O)N3)C2)n1 ZINC001015635026 656356652 /nfs/dbraw/zinc/35/66/52/656356652.db2.gz PQENVMQONSGFJN-KOLCDFICSA-N 1 2 292.343 -1.208 20 0 CAADLO Cn1ccc(C[N@H+]2CC[C@@H](NC(=O)[C@@H]3CNC(=O)N3)C2)n1 ZINC001015635026 656356658 /nfs/dbraw/zinc/35/66/58/656356658.db2.gz PQENVMQONSGFJN-KOLCDFICSA-N 1 2 292.343 -1.208 20 0 CAADLO CCn1nnc(C)c1C[N@@H+]1CC[C@H](NC(=O)C(N)=O)C1 ZINC001015636643 656356678 /nfs/dbraw/zinc/35/66/78/656356678.db2.gz BSAWACINWBIRTB-VIFPVBQESA-N 1 2 280.332 -1.218 20 0 CAADLO CCn1nnc(C)c1C[N@H+]1CC[C@H](NC(=O)C(N)=O)C1 ZINC001015636643 656356682 /nfs/dbraw/zinc/35/66/82/656356682.db2.gz BSAWACINWBIRTB-VIFPVBQESA-N 1 2 280.332 -1.218 20 0 CAADLO NC(=O)C(=O)N[C@@H]1CC[N@H+](CC(=O)N2CCCC2)C1 ZINC001015637042 656356789 /nfs/dbraw/zinc/35/67/89/656356789.db2.gz HGJIOKBVKRMASO-SECBINFHSA-N 1 2 268.317 -1.715 20 0 CAADLO NC(=O)C(=O)N[C@@H]1CC[N@@H+](CC(=O)N2CCCC2)C1 ZINC001015637042 656356796 /nfs/dbraw/zinc/35/67/96/656356796.db2.gz HGJIOKBVKRMASO-SECBINFHSA-N 1 2 268.317 -1.715 20 0 CAADLO C[C@@H]1[C@H](NC(=O)c2cn(C)nn2)CCC[N@@H+]1CC(N)=O ZINC000993298128 656356966 /nfs/dbraw/zinc/35/69/66/656356966.db2.gz LNDIWOSHMKNGKM-RKDXNWHRSA-N 1 2 280.332 -1.117 20 0 CAADLO C[C@@H]1[C@H](NC(=O)c2cn(C)nn2)CCC[N@H+]1CC(N)=O ZINC000993298128 656356970 /nfs/dbraw/zinc/35/69/70/656356970.db2.gz LNDIWOSHMKNGKM-RKDXNWHRSA-N 1 2 280.332 -1.117 20 0 CAADLO Cn1c[nH+]cc1CN1CC[C@@H](NC(=O)C(N)=O)C1 ZINC001015637863 656356987 /nfs/dbraw/zinc/35/69/87/656356987.db2.gz SYWRSXCKLNNNEH-MRVPVSSYSA-N 1 2 251.290 -1.404 20 0 CAADLO Cn1cncc1C[N@@H+]1CC[C@@H](NC(=O)C(N)=O)C1 ZINC001015637863 656356991 /nfs/dbraw/zinc/35/69/91/656356991.db2.gz SYWRSXCKLNNNEH-MRVPVSSYSA-N 1 2 251.290 -1.404 20 0 CAADLO Cn1cncc1C[N@H+]1CC[C@@H](NC(=O)C(N)=O)C1 ZINC001015637863 656356993 /nfs/dbraw/zinc/35/69/93/656356993.db2.gz SYWRSXCKLNNNEH-MRVPVSSYSA-N 1 2 251.290 -1.404 20 0 CAADLO C[C@@H]1[C@H](NC(=O)c2ncn(C)n2)CCC[N@@H+]1CC(N)=O ZINC000993301041 656357345 /nfs/dbraw/zinc/35/73/45/656357345.db2.gz QAHNPZCZEXBNDJ-RKDXNWHRSA-N 1 2 280.332 -1.117 20 0 CAADLO C[C@@H]1[C@H](NC(=O)c2ncn(C)n2)CCC[N@H+]1CC(N)=O ZINC000993301041 656357349 /nfs/dbraw/zinc/35/73/49/656357349.db2.gz QAHNPZCZEXBNDJ-RKDXNWHRSA-N 1 2 280.332 -1.117 20 0 CAADLO NC(=O)C(=O)N[C@H]1CC[N@@H+]([C@H]2CCN(C3CCC3)C2=O)C1 ZINC001015639516 656357397 /nfs/dbraw/zinc/35/73/97/656357397.db2.gz FCPPPUXTBXOMBQ-ONGXEEELSA-N 1 2 294.355 -1.184 20 0 CAADLO NC(=O)C(=O)N[C@H]1CC[N@H+]([C@H]2CCN(C3CCC3)C2=O)C1 ZINC001015639516 656357400 /nfs/dbraw/zinc/35/74/00/656357400.db2.gz FCPPPUXTBXOMBQ-ONGXEEELSA-N 1 2 294.355 -1.184 20 0 CAADLO NC(=O)C(=O)N[C@H]1CC[N@@H+]([C@@H]2CCCNC2=O)C1 ZINC001015640920 656357436 /nfs/dbraw/zinc/35/74/36/656357436.db2.gz UUWZKCVAZKGZFX-JGVFFNPUSA-N 1 2 254.290 -2.059 20 0 CAADLO NC(=O)C(=O)N[C@H]1CC[N@H+]([C@@H]2CCCNC2=O)C1 ZINC001015640920 656357440 /nfs/dbraw/zinc/35/74/40/656357440.db2.gz UUWZKCVAZKGZFX-JGVFFNPUSA-N 1 2 254.290 -2.059 20 0 CAADLO Cc1ncc(C[N@@H+]2CC[C@@H](NC(=O)C(N)=O)C2)cn1 ZINC001015639304 656357483 /nfs/dbraw/zinc/35/74/83/656357483.db2.gz APHYNLNDUHKYAT-SNVBAGLBSA-N 1 2 263.301 -1.039 20 0 CAADLO Cc1ncc(C[N@H+]2CC[C@@H](NC(=O)C(N)=O)C2)cn1 ZINC001015639304 656357486 /nfs/dbraw/zinc/35/74/86/656357486.db2.gz APHYNLNDUHKYAT-SNVBAGLBSA-N 1 2 263.301 -1.039 20 0 CAADLO NC(=O)C(=O)N[C@@H]1CC[N@@H+]([C@@H]2CCN(C3CCC3)C2=O)C1 ZINC001015639513 656357560 /nfs/dbraw/zinc/35/75/60/656357560.db2.gz FCPPPUXTBXOMBQ-MWLCHTKSSA-N 1 2 294.355 -1.184 20 0 CAADLO NC(=O)C(=O)N[C@@H]1CC[N@H+]([C@@H]2CCN(C3CCC3)C2=O)C1 ZINC001015639513 656357564 /nfs/dbraw/zinc/35/75/64/656357564.db2.gz FCPPPUXTBXOMBQ-MWLCHTKSSA-N 1 2 294.355 -1.184 20 0 CAADLO Cc1nccnc1C[N@@H+]1CC[C@@H](NC(=O)C(N)=O)C1 ZINC001015640897 656357697 /nfs/dbraw/zinc/35/76/97/656357697.db2.gz UHKVMLPLWJIDTB-SECBINFHSA-N 1 2 263.301 -1.039 20 0 CAADLO Cc1nccnc1C[N@H+]1CC[C@@H](NC(=O)C(N)=O)C1 ZINC001015640897 656357700 /nfs/dbraw/zinc/35/77/00/656357700.db2.gz UHKVMLPLWJIDTB-SECBINFHSA-N 1 2 263.301 -1.039 20 0 CAADLO C[C@H](C(=O)NC1CC1)[N@@H+]1CC[C@H](NC(=O)C(N)=O)C1 ZINC001015641245 656357732 /nfs/dbraw/zinc/35/77/32/656357732.db2.gz GTYDWIAYCMRRSG-APPZFPTMSA-N 1 2 268.317 -1.671 20 0 CAADLO C[C@H](C(=O)NC1CC1)[N@H+]1CC[C@H](NC(=O)C(N)=O)C1 ZINC001015641245 656357734 /nfs/dbraw/zinc/35/77/34/656357734.db2.gz GTYDWIAYCMRRSG-APPZFPTMSA-N 1 2 268.317 -1.671 20 0 CAADLO NC(=O)C(=O)N[C@H]1CC[N@@H+]([C@@H]2CCN(C3CCC3)C2=O)C1 ZINC001015639509 656357742 /nfs/dbraw/zinc/35/77/42/656357742.db2.gz FCPPPUXTBXOMBQ-GXSJLCMTSA-N 1 2 294.355 -1.184 20 0 CAADLO NC(=O)C(=O)N[C@H]1CC[N@H+]([C@@H]2CCN(C3CCC3)C2=O)C1 ZINC001015639509 656357745 /nfs/dbraw/zinc/35/77/45/656357745.db2.gz FCPPPUXTBXOMBQ-GXSJLCMTSA-N 1 2 294.355 -1.184 20 0 CAADLO C[C@H]1[C@H](NC(=O)c2ncn(C)n2)CCC[N@@H+]1CC(N)=O ZINC000993301033 656357832 /nfs/dbraw/zinc/35/78/32/656357832.db2.gz QAHNPZCZEXBNDJ-DTWKUNHWSA-N 1 2 280.332 -1.117 20 0 CAADLO C[C@H]1[C@H](NC(=O)c2ncn(C)n2)CCC[N@H+]1CC(N)=O ZINC000993301033 656357835 /nfs/dbraw/zinc/35/78/35/656357835.db2.gz QAHNPZCZEXBNDJ-DTWKUNHWSA-N 1 2 280.332 -1.117 20 0 CAADLO C[C@@H](O)C[NH+]1CC(NC(=O)CN2CC(=O)N(C)C2=O)C1 ZINC001031250193 656358069 /nfs/dbraw/zinc/35/80/69/656358069.db2.gz XNLQCHGCPXGBDZ-MRVPVSSYSA-N 1 2 284.316 -1.938 20 0 CAADLO COc1c(=O)[nH]c(=O)[nH]c1C(=O)NC1C[NH+](C[C@H](C)O)C1 ZINC001031250012 656358316 /nfs/dbraw/zinc/35/83/16/656358316.db2.gz PMOQERGUFHIGQV-LURJTMIESA-N 1 2 298.299 -1.309 20 0 CAADLO C[C@@H]1[C@H](NC(=O)Cn2ncnn2)CCC[N@@H+]1CC(N)=O ZINC000993356394 656358556 /nfs/dbraw/zinc/35/85/56/656358556.db2.gz WRXDMPQJFLVJOR-RKDXNWHRSA-N 1 2 281.320 -1.873 20 0 CAADLO C[C@@H]1[C@H](NC(=O)Cn2ncnn2)CCC[N@H+]1CC(N)=O ZINC000993356394 656358562 /nfs/dbraw/zinc/35/85/62/656358562.db2.gz WRXDMPQJFLVJOR-RKDXNWHRSA-N 1 2 281.320 -1.873 20 0 CAADLO C[C@@H](C(N)=O)N1CC(NC(=O)Cc2c[nH+]cn2C)C1 ZINC001031259210 656358742 /nfs/dbraw/zinc/35/87/42/656358742.db2.gz YHYJJBUIMCBWMC-QMMMGPOBSA-N 1 2 265.317 -1.363 20 0 CAADLO O=C(NC1C[NH+](CCO)C1)c1cccn2c(=O)[nH]nc12 ZINC001031250957 656358818 /nfs/dbraw/zinc/35/88/18/656358818.db2.gz TXPICIYGKMQEIF-UHFFFAOYSA-N 1 2 277.284 -1.159 20 0 CAADLO C[C@@H]1[C@H](NC(=O)Cn2nccn2)CCC[N@@H+]1CC(N)=O ZINC000993373080 656359007 /nfs/dbraw/zinc/35/90/07/656359007.db2.gz GCMQJIQNVLWPAV-NXEZZACHSA-N 1 2 280.332 -1.268 20 0 CAADLO C[C@@H]1[C@H](NC(=O)Cn2nccn2)CCC[N@H+]1CC(N)=O ZINC000993373080 656359008 /nfs/dbraw/zinc/35/90/08/656359008.db2.gz GCMQJIQNVLWPAV-NXEZZACHSA-N 1 2 280.332 -1.268 20 0 CAADLO C[C@H]1[C@H](NC(=O)Cn2ncnn2)CCC[N@@H+]1CC(N)=O ZINC000993356382 656359092 /nfs/dbraw/zinc/35/90/92/656359092.db2.gz WRXDMPQJFLVJOR-DTWKUNHWSA-N 1 2 281.320 -1.873 20 0 CAADLO C[C@H]1[C@H](NC(=O)Cn2ncnn2)CCC[N@H+]1CC(N)=O ZINC000993356382 656359096 /nfs/dbraw/zinc/35/90/96/656359096.db2.gz WRXDMPQJFLVJOR-DTWKUNHWSA-N 1 2 281.320 -1.873 20 0 CAADLO Cn1c[nH+]cc1CC(=O)NC1CN(CC(=O)N2CCC2)C1 ZINC001031259858 656359336 /nfs/dbraw/zinc/35/93/36/656359336.db2.gz HRZAPFSYRZIPHB-UHFFFAOYSA-N 1 2 291.355 -1.005 20 0 CAADLO Cn1c[nH+]cc1CC(=O)NC1CN(CC(N)=O)C1 ZINC001031261513 656359769 /nfs/dbraw/zinc/35/97/69/656359769.db2.gz QFDXGTMHAOOMMJ-UHFFFAOYSA-N 1 2 251.290 -1.752 20 0 CAADLO Cc1ccc(=O)n(CC(=O)NC2C[NH+](C[C@@H](C)O)C2)n1 ZINC001031288561 656360044 /nfs/dbraw/zinc/36/00/44/656360044.db2.gz CASZEIOYZGYHLC-SNVBAGLBSA-N 1 2 280.328 -1.267 20 0 CAADLO CCC(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NC(=O)C(N)=O)C1 ZINC000993567073 656361021 /nfs/dbraw/zinc/36/10/21/656361021.db2.gz BXFPJZHCHGXLTH-RKDXNWHRSA-N 1 2 293.327 -1.274 20 0 CAADLO CNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)c2nnn(C)n2)[C@H]1C ZINC000993686227 656361060 /nfs/dbraw/zinc/36/10/60/656361060.db2.gz JIBKNKLQCSLIMY-RKDXNWHRSA-N 1 2 295.347 -1.461 20 0 CAADLO CNC(=O)C[N@H+]1CCC[C@@H](NC(=O)c2nnn(C)n2)[C@H]1C ZINC000993686227 656361063 /nfs/dbraw/zinc/36/10/63/656361063.db2.gz JIBKNKLQCSLIMY-RKDXNWHRSA-N 1 2 295.347 -1.461 20 0 CAADLO C[C@H]1[C@H](NC(=O)C(N)=O)CCC[N@@H+]1CC(=O)N1CCC1 ZINC000993743535 656361225 /nfs/dbraw/zinc/36/12/25/656361225.db2.gz JIOMBIGZLYOVNP-VHSXEESVSA-N 1 2 282.344 -1.327 20 0 CAADLO C[C@H]1[C@H](NC(=O)C(N)=O)CCC[N@H+]1CC(=O)N1CCC1 ZINC000993743535 656361227 /nfs/dbraw/zinc/36/12/27/656361227.db2.gz JIOMBIGZLYOVNP-VHSXEESVSA-N 1 2 282.344 -1.327 20 0 CAADLO C[C@@H]1[C@@H](NC(=O)C(N)=O)CCC[N@@H+]1CC(=O)N1CCC1 ZINC000993743536 656361378 /nfs/dbraw/zinc/36/13/78/656361378.db2.gz JIOMBIGZLYOVNP-ZJUUUORDSA-N 1 2 282.344 -1.327 20 0 CAADLO C[C@@H]1[C@@H](NC(=O)C(N)=O)CCC[N@H+]1CC(=O)N1CCC1 ZINC000993743536 656361382 /nfs/dbraw/zinc/36/13/82/656361382.db2.gz JIOMBIGZLYOVNP-ZJUUUORDSA-N 1 2 282.344 -1.327 20 0 CAADLO C[C@H]1[C@H](NC(=O)C(N)=O)CCC[N@@H+]1CC(=O)N(C)C ZINC000993739388 656361502 /nfs/dbraw/zinc/36/15/02/656361502.db2.gz DBODUPWRTZVKRT-DTWKUNHWSA-N 1 2 270.333 -1.471 20 0 CAADLO C[C@H]1[C@H](NC(=O)C(N)=O)CCC[N@H+]1CC(=O)N(C)C ZINC000993739388 656361504 /nfs/dbraw/zinc/36/15/04/656361504.db2.gz DBODUPWRTZVKRT-DTWKUNHWSA-N 1 2 270.333 -1.471 20 0 CAADLO C[C@H]1[C@@H](NC(=O)C(N)=O)CCC[N@@H+]1CC(=O)N1CCC1 ZINC000993743534 656361618 /nfs/dbraw/zinc/36/16/18/656361618.db2.gz JIOMBIGZLYOVNP-UWVGGRQHSA-N 1 2 282.344 -1.327 20 0 CAADLO C[C@H]1[C@@H](NC(=O)C(N)=O)CCC[N@H+]1CC(=O)N1CCC1 ZINC000993743534 656361620 /nfs/dbraw/zinc/36/16/20/656361620.db2.gz JIOMBIGZLYOVNP-UWVGGRQHSA-N 1 2 282.344 -1.327 20 0 CAADLO C[C@H]1[C@H](NC(=O)c2c[nH]c(=O)cn2)CCC[N@@H+]1CC(N)=O ZINC000993733743 656361633 /nfs/dbraw/zinc/36/16/33/656361633.db2.gz ZCHXUPKYMXWGMP-DTWKUNHWSA-N 1 2 293.327 -1.162 20 0 CAADLO C[C@H]1[C@H](NC(=O)c2c[nH]c(=O)cn2)CCC[N@H+]1CC(N)=O ZINC000993733743 656361634 /nfs/dbraw/zinc/36/16/34/656361634.db2.gz ZCHXUPKYMXWGMP-DTWKUNHWSA-N 1 2 293.327 -1.162 20 0 CAADLO CNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)C(N)=O)[C@H]1C ZINC000993743537 656361702 /nfs/dbraw/zinc/36/17/02/656361702.db2.gz JKFPXOPCTQCRGG-HTQZYQBOSA-N 1 2 256.306 -1.813 20 0 CAADLO CNC(=O)C[N@H+]1CCC[C@@H](NC(=O)C(N)=O)[C@H]1C ZINC000993743537 656361703 /nfs/dbraw/zinc/36/17/03/656361703.db2.gz JKFPXOPCTQCRGG-HTQZYQBOSA-N 1 2 256.306 -1.813 20 0 CAADLO CNC(=O)C[N@@H+]1CCC[C@H](NC(=O)[C@H]2COCCN2C)C1 ZINC001007157206 656362039 /nfs/dbraw/zinc/36/20/39/656362039.db2.gz RXITVBLZVPMZOW-NWDGAFQWSA-N 1 2 298.387 -1.356 20 0 CAADLO CNC(=O)C[N@H+]1CCC[C@H](NC(=O)[C@H]2COCCN2C)C1 ZINC001007157206 656362043 /nfs/dbraw/zinc/36/20/43/656362043.db2.gz RXITVBLZVPMZOW-NWDGAFQWSA-N 1 2 298.387 -1.356 20 0 CAADLO CNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2COCCN2C)C1 ZINC001007157211 656362097 /nfs/dbraw/zinc/36/20/97/656362097.db2.gz RXITVBLZVPMZOW-VXGBXAGGSA-N 1 2 298.387 -1.356 20 0 CAADLO CNC(=O)C[N@H+]1CCC[C@@H](NC(=O)[C@H]2COCCN2C)C1 ZINC001007157211 656362099 /nfs/dbraw/zinc/36/20/99/656362099.db2.gz RXITVBLZVPMZOW-VXGBXAGGSA-N 1 2 298.387 -1.356 20 0 CAADLO C[C@@H]1[C@@H](NC(=O)c2cnn(C)n2)CCC[N@@H+]1CC(N)=O ZINC000994000274 656362708 /nfs/dbraw/zinc/36/27/08/656362708.db2.gz YFAZPCKXIJAEGI-BDAKNGLRSA-N 1 2 280.332 -1.117 20 0 CAADLO C[C@@H]1[C@@H](NC(=O)c2cnn(C)n2)CCC[N@H+]1CC(N)=O ZINC000994000274 656362709 /nfs/dbraw/zinc/36/27/09/656362709.db2.gz YFAZPCKXIJAEGI-BDAKNGLRSA-N 1 2 280.332 -1.117 20 0 CAADLO C[C@@H]1[C@@H](NC(=O)Cc2nc[nH]n2)CCC[N@@H+]1CC(N)=O ZINC000994199293 656363363 /nfs/dbraw/zinc/36/33/63/656363363.db2.gz DHEOEAZGJVZOLU-BDAKNGLRSA-N 1 2 280.332 -1.198 20 0 CAADLO C[C@@H]1[C@@H](NC(=O)Cc2nc[nH]n2)CCC[N@H+]1CC(N)=O ZINC000994199293 656363364 /nfs/dbraw/zinc/36/33/64/656363364.db2.gz DHEOEAZGJVZOLU-BDAKNGLRSA-N 1 2 280.332 -1.198 20 0 CAADLO Cc1[nH+]c[nH]c1CC(=O)NC1CN(Cc2nnnn2C)C1 ZINC001031313653 656363871 /nfs/dbraw/zinc/36/38/71/656363871.db2.gz SVHIKYHXROAGMK-UHFFFAOYSA-N 1 2 290.331 -1.215 20 0 CAADLO Cc1[nH+]c[nH]c1CC(=O)NC1CN([C@@H](C)C(N)=O)C1 ZINC001031313647 656363944 /nfs/dbraw/zinc/36/39/44/656363944.db2.gz SPNJSMHZVFJCOO-QMMMGPOBSA-N 1 2 265.317 -1.065 20 0 CAADLO Cc1[nH+]c[nH]c1CC(=O)NC1CN([C@H](C)C(N)=O)C1 ZINC001031313646 656364085 /nfs/dbraw/zinc/36/40/85/656364085.db2.gz SPNJSMHZVFJCOO-MRVPVSSYSA-N 1 2 265.317 -1.065 20 0 CAADLO CNC(=O)CN1CC(NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001031313815 656364090 /nfs/dbraw/zinc/36/40/90/656364090.db2.gz WWFAPNOWLBKYRA-UHFFFAOYSA-N 1 2 265.317 -1.193 20 0 CAADLO CC(=O)N1CC[C@H](C(=O)NC2C[NH+](CCO)C2)C1 ZINC001031322207 656364410 /nfs/dbraw/zinc/36/44/10/656364410.db2.gz SXYNIHICWCMCIF-JTQLQIEISA-N 1 2 255.318 -1.353 20 0 CAADLO C[C@H]1[C@H](NC(=O)Cn2cncn2)CCC[N@@H+]1CC(N)=O ZINC000994347540 656364956 /nfs/dbraw/zinc/36/49/56/656364956.db2.gz KNHHWAPGPJVKQW-VHSXEESVSA-N 1 2 280.332 -1.268 20 0 CAADLO C[C@H]1[C@H](NC(=O)Cn2cncn2)CCC[N@H+]1CC(N)=O ZINC000994347540 656364960 /nfs/dbraw/zinc/36/49/60/656364960.db2.gz KNHHWAPGPJVKQW-VHSXEESVSA-N 1 2 280.332 -1.268 20 0 CAADLO C[C@H]1[C@@H](NC(=O)Cn2cncn2)CCC[N@@H+]1CC(N)=O ZINC000994347537 656364964 /nfs/dbraw/zinc/36/49/64/656364964.db2.gz KNHHWAPGPJVKQW-UWVGGRQHSA-N 1 2 280.332 -1.268 20 0 CAADLO C[C@H]1[C@@H](NC(=O)Cn2cncn2)CCC[N@H+]1CC(N)=O ZINC000994347537 656364968 /nfs/dbraw/zinc/36/49/68/656364968.db2.gz KNHHWAPGPJVKQW-UWVGGRQHSA-N 1 2 280.332 -1.268 20 0 CAADLO CN(C(=O)CN1CC[NH2+]CC1=O)[C@H]1CCCCNC1=O ZINC000154128180 656365122 /nfs/dbraw/zinc/36/51/22/656365122.db2.gz PPKLXAXRJUHNOY-JTQLQIEISA-N 1 2 282.344 -1.455 20 0 CAADLO C[C@@H]1[C@@H](NC(=O)Cn2cncn2)CCC[N@@H+]1CC(N)=O ZINC000994347541 656365161 /nfs/dbraw/zinc/36/51/61/656365161.db2.gz KNHHWAPGPJVKQW-ZJUUUORDSA-N 1 2 280.332 -1.268 20 0 CAADLO C[C@@H]1[C@@H](NC(=O)Cn2cncn2)CCC[N@H+]1CC(N)=O ZINC000994347541 656365162 /nfs/dbraw/zinc/36/51/62/656365162.db2.gz KNHHWAPGPJVKQW-ZJUUUORDSA-N 1 2 280.332 -1.268 20 0 CAADLO CN1C(=O)CCC[C@@H]1C(=O)NC1C[NH+](CCO)C1 ZINC001031328637 656365174 /nfs/dbraw/zinc/36/51/74/656365174.db2.gz AICHBLSBBCBCBE-SNVBAGLBSA-N 1 2 255.318 -1.210 20 0 CAADLO Cc1nn(CC(=O)NC2C[NH+](CCO)C2)c(=O)n1C ZINC001031334543 656365323 /nfs/dbraw/zinc/36/53/23/656365323.db2.gz ZMUZKCSVMQCHTN-UHFFFAOYSA-N 1 2 269.305 -2.317 20 0 CAADLO C[N@@H+]1CCO[C@H](CNC(=O)NC[C@@H]2COCO2)C1 ZINC000916882250 656365420 /nfs/dbraw/zinc/36/54/20/656365420.db2.gz HFRKBQKMWZGQHG-NXEZZACHSA-N 1 2 259.306 -1.011 20 0 CAADLO C[N@H+]1CCO[C@H](CNC(=O)NC[C@@H]2COCO2)C1 ZINC000916882250 656365422 /nfs/dbraw/zinc/36/54/22/656365422.db2.gz HFRKBQKMWZGQHG-NXEZZACHSA-N 1 2 259.306 -1.011 20 0 CAADLO C[C@@H](O)C[NH+]1CC(NC(=O)CN2C(=O)NC(C)(C)C2=O)C1 ZINC001031349068 656365431 /nfs/dbraw/zinc/36/54/31/656365431.db2.gz LCVPSWPABNRLGK-MRVPVSSYSA-N 1 2 298.343 -1.502 20 0 CAADLO C[N@@H+]1CCO[C@@H](CNC(=O)N2CCOC[C@H]2CO)C1 ZINC000916883670 656365527 /nfs/dbraw/zinc/36/55/27/656365527.db2.gz RPLZCGRCUBJQIE-MNOVXSKESA-N 1 2 273.333 -1.280 20 0 CAADLO C[N@H+]1CCO[C@@H](CNC(=O)N2CCOC[C@H]2CO)C1 ZINC000916883670 656365530 /nfs/dbraw/zinc/36/55/30/656365530.db2.gz RPLZCGRCUBJQIE-MNOVXSKESA-N 1 2 273.333 -1.280 20 0 CAADLO CC1(C)NC(=O)N(CC(=O)NC2C[NH+](CCO)C2)C1=O ZINC001031349012 656365547 /nfs/dbraw/zinc/36/55/47/656365547.db2.gz ITKPDMDIQITSPK-UHFFFAOYSA-N 1 2 284.316 -1.891 20 0 CAADLO C[N@@H+]1CCO[C@@H](CNC(=O)NC[C@H]2COCO2)C1 ZINC000916882251 656365590 /nfs/dbraw/zinc/36/55/90/656365590.db2.gz HFRKBQKMWZGQHG-UWVGGRQHSA-N 1 2 259.306 -1.011 20 0 CAADLO C[N@H+]1CCO[C@@H](CNC(=O)NC[C@H]2COCO2)C1 ZINC000916882251 656365592 /nfs/dbraw/zinc/36/55/92/656365592.db2.gz HFRKBQKMWZGQHG-UWVGGRQHSA-N 1 2 259.306 -1.011 20 0 CAADLO CC(=O)N1CCO[C@@H](C(=O)NC2C[NH+](CCCO)C2)C1 ZINC001031333573 656365699 /nfs/dbraw/zinc/36/56/99/656365699.db2.gz PKILCNICBKSPLM-GFCCVEGCSA-N 1 2 285.344 -1.584 20 0 CAADLO COCC[NH+]1CC(NC(=O)[C@H]2CN(C(C)=O)CCO2)C1 ZINC001031332343 656365733 /nfs/dbraw/zinc/36/57/33/656365733.db2.gz XFDFNNHNOQTMPB-GFCCVEGCSA-N 1 2 285.344 -1.320 20 0 CAADLO COCC[NH+]1CC(NC(=O)c2ccc(=O)n(C)n2)C1 ZINC001031355119 656366180 /nfs/dbraw/zinc/36/61/80/656366180.db2.gz PLNKCGVUHFEYLR-UHFFFAOYSA-N 1 2 266.301 -1.159 20 0 CAADLO O=C(CN1C(=O)CNC1=O)NC1C[NH+](CCO)C1 ZINC001031362456 656366540 /nfs/dbraw/zinc/36/65/40/656366540.db2.gz GHCGPKGFUKPQAW-UHFFFAOYSA-N 1 2 256.262 -2.669 20 0 CAADLO CN1CC(=O)N(CC(=O)NC2C[NH+](CCCO)C2)C1=O ZINC001031361631 656366516 /nfs/dbraw/zinc/36/65/16/656366516.db2.gz WWUYJHKIHXCZNT-UHFFFAOYSA-N 1 2 284.316 -1.937 20 0 CAADLO C[C@@H](O)C[NH+]1CC(NC(=O)CN2C(=O)CN(C)C2=O)C1 ZINC001031361275 656366655 /nfs/dbraw/zinc/36/66/55/656366655.db2.gz HNFRLNKISUAEQE-MRVPVSSYSA-N 1 2 284.316 -1.938 20 0 CAADLO COC[C@H](C)[NH+]1CC(NC(=O)CN2C(=O)CN(C)C2=O)C1 ZINC001031361045 656366869 /nfs/dbraw/zinc/36/68/69/656366869.db2.gz AVEYMJJXZZDOOM-VIFPVBQESA-N 1 2 298.343 -1.284 20 0 CAADLO COC[C@@H](C)[NH+]1CC(NC(=O)CN2C(=O)CCC2=O)C1 ZINC001031367265 656367176 /nfs/dbraw/zinc/36/71/76/656367176.db2.gz QWEDCVHAKBSZHY-SECBINFHSA-N 1 2 283.328 -1.029 20 0 CAADLO C[C@@H](O)C[NH+]1CC(NC(=O)CN2C(=O)CCC2=O)C1 ZINC001031369295 656367451 /nfs/dbraw/zinc/36/74/51/656367451.db2.gz IUHVVBSLFHJHIO-MRVPVSSYSA-N 1 2 269.301 -1.683 20 0 CAADLO O=S(=O)(CCn1cc[nH+]c1)N1CCOC[C@@H]1CO ZINC000917275169 656367723 /nfs/dbraw/zinc/36/77/23/656367723.db2.gz IRJZCMSGCQESDQ-JTQLQIEISA-N 1 2 275.330 -1.094 20 0 CAADLO C[N@@H+]1CC[C@H](C(=O)NC2CN(Cc3n[nH]c(=O)[nH]3)C2)C1 ZINC001031386098 656367842 /nfs/dbraw/zinc/36/78/42/656367842.db2.gz XPPKCQJOWIWEOX-QMMMGPOBSA-N 1 2 280.332 -1.238 20 0 CAADLO C[N@H+]1CC[C@H](C(=O)NC2CN(Cc3n[nH]c(=O)[nH]3)C2)C1 ZINC001031386098 656367844 /nfs/dbraw/zinc/36/78/44/656367844.db2.gz XPPKCQJOWIWEOX-QMMMGPOBSA-N 1 2 280.332 -1.238 20 0 CAADLO COCC[NH+]1CC(NC(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001031380054 656367877 /nfs/dbraw/zinc/36/78/77/656367877.db2.gz BUAGPDITUAHETE-UHFFFAOYSA-N 1 2 282.300 -1.454 20 0 CAADLO Cn1cc(C(=O)NC2C[NH+](CCO)C2)c(=O)[nH]c1=O ZINC001031380955 656368050 /nfs/dbraw/zinc/36/80/50/656368050.db2.gz PUXFCCNHCQLQIE-UHFFFAOYSA-N 1 2 268.273 -2.108 20 0 CAADLO NC(=O)c1cc(C(=O)NC2C[NH+](CCCO)C2)c[nH]1 ZINC001031393309 656368454 /nfs/dbraw/zinc/36/84/54/656368454.db2.gz QEQPJZOPPAFMRU-UHFFFAOYSA-N 1 2 266.301 -1.090 20 0 CAADLO O=C(C[NH+]1CCCC1)NC1CN(Cc2n[nH]c(=O)[nH]2)C1 ZINC001031389735 656368457 /nfs/dbraw/zinc/36/84/57/656368457.db2.gz YPAMWKYULDLLNS-UHFFFAOYSA-N 1 2 280.332 -1.094 20 0 CAADLO C[C@@H](O)C[NH+]1CC(NC(=O)Cc2nc3ncccn3n2)C1 ZINC001031387828 656368554 /nfs/dbraw/zinc/36/85/54/656368554.db2.gz XGGHVACDTCFAEF-SECBINFHSA-N 1 2 290.327 -1.152 20 0 CAADLO C[C@H](O)C[NH+]1CC(NC(=O)Cc2nc3ncccn3n2)C1 ZINC001031387829 656368687 /nfs/dbraw/zinc/36/86/87/656368687.db2.gz XGGHVACDTCFAEF-VIFPVBQESA-N 1 2 290.327 -1.152 20 0 CAADLO CC(=O)N1CCOC[C@@H]1C(=O)NC1C[NH+](CCCO)C1 ZINC001031406443 656368902 /nfs/dbraw/zinc/36/89/02/656368902.db2.gz DICDJXGUFFJQON-GFCCVEGCSA-N 1 2 285.344 -1.584 20 0 CAADLO O=C(NC1C[NH+](CCCO)C1)[C@H]1CCS(=O)(=O)N1 ZINC001031402893 656368986 /nfs/dbraw/zinc/36/89/86/656368986.db2.gz SPQRJRAXUDNCGW-SECBINFHSA-N 1 2 277.346 -2.139 20 0 CAADLO CC(=O)N1CCOC[C@H]1C(=O)NC1C[NH+](CCO)C1 ZINC001031406643 656369008 /nfs/dbraw/zinc/36/90/08/656369008.db2.gz GZZNXVFWVFIDDJ-NSHDSACASA-N 1 2 271.317 -1.974 20 0 CAADLO O=C(NC1C[NH+](CCO)C1)[C@@H]1CCS(=O)(=O)N1 ZINC001031402184 656369069 /nfs/dbraw/zinc/36/90/69/656369069.db2.gz BNXIKWFLCNYMBC-QMMMGPOBSA-N 1 2 263.319 -2.529 20 0 CAADLO C[C@@H](O)C[NH+]1CC(NC(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001031402226 656369116 /nfs/dbraw/zinc/36/91/16/656369116.db2.gz CWPXFZFZFLZVRP-VXNVDRBHSA-N 1 2 277.346 -2.141 20 0 CAADLO CC(=O)N1CCOC[C@@H]1C(=O)NC1C[NH+](CCO)C1 ZINC001031406642 656369250 /nfs/dbraw/zinc/36/92/50/656369250.db2.gz GZZNXVFWVFIDDJ-LLVKDONJSA-N 1 2 271.317 -1.974 20 0 CAADLO NC(=O)c1cncc(C(=O)NC2C[NH+](CCCO)C2)c1 ZINC001031403881 656369277 /nfs/dbraw/zinc/36/92/77/656369277.db2.gz QHHCDPVCBKQHLR-UHFFFAOYSA-N 1 2 278.312 -1.023 20 0 CAADLO CC(=O)N1CCOC[C@@H]1C(=O)NC1C[NH+](C[C@@H](C)O)C1 ZINC001031410048 656369815 /nfs/dbraw/zinc/36/98/15/656369815.db2.gz OZOIBZSSPLJWQS-BXKDBHETSA-N 1 2 285.344 -1.585 20 0 CAADLO Cc1nnc2n1C[C@@H](C(=O)NC1C[NH+](CCO)C1)CC2 ZINC001031425013 656370089 /nfs/dbraw/zinc/37/00/89/656370089.db2.gz JYGFZFPBMYPPHA-JTQLQIEISA-N 1 2 279.344 -1.058 20 0 CAADLO Cc1nnc2n1C[C@H](C(=O)NC1C[NH+](CCO)C1)CC2 ZINC001031425014 656370143 /nfs/dbraw/zinc/37/01/43/656370143.db2.gz JYGFZFPBMYPPHA-SNVBAGLBSA-N 1 2 279.344 -1.058 20 0 CAADLO CC[NH+]1CC(NC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001031438537 656370514 /nfs/dbraw/zinc/37/05/14/656370514.db2.gz JJEVTSRNWAKMTO-UHFFFAOYSA-N 1 2 252.278 -1.803 20 0 CAADLO NC(=O)c1ncccc1C(=O)NC1C[NH+](CCCO)C1 ZINC001031424871 656370555 /nfs/dbraw/zinc/37/05/55/656370555.db2.gz FZUWSBDVSUEFDY-UHFFFAOYSA-N 1 2 278.312 -1.023 20 0 CAADLO CN1C[C@H](C(=O)NC2C[NH+](CCO)C2)CCC1=O ZINC001031441340 656370809 /nfs/dbraw/zinc/37/08/09/656370809.db2.gz AFBMWSQTZVAJDX-SECBINFHSA-N 1 2 255.318 -1.353 20 0 CAADLO CC[N@H+](CC(=O)NC)Cc1cc(=O)n(C)c(=O)n1C ZINC000918022695 656370916 /nfs/dbraw/zinc/37/09/16/656370916.db2.gz OTQXIXWKQFEKSM-UHFFFAOYSA-N 1 2 268.317 -1.348 20 0 CAADLO CC[N@@H+](CC(=O)NC)Cc1cc(=O)n(C)c(=O)n1C ZINC000918022695 656370919 /nfs/dbraw/zinc/37/09/19/656370919.db2.gz OTQXIXWKQFEKSM-UHFFFAOYSA-N 1 2 268.317 -1.348 20 0 CAADLO CN1C[C@@H](C(=O)NC2C[NH+](CCO)C2)CCC1=O ZINC001031441341 656370939 /nfs/dbraw/zinc/37/09/39/656370939.db2.gz AFBMWSQTZVAJDX-VIFPVBQESA-N 1 2 255.318 -1.353 20 0 CAADLO O=C(Cn1cc[nH+]c1)NC1CN([C@@H]2CCNC2=O)C1 ZINC001031476308 656371246 /nfs/dbraw/zinc/37/12/46/656371246.db2.gz HJLRWUGEOWNXQN-SNVBAGLBSA-N 1 2 263.301 -1.428 20 0 CAADLO O=C(Cn1cc[nH+]c1)NC1CN([C@H]2CCC(=O)NC2=O)C1 ZINC001031476375 656371275 /nfs/dbraw/zinc/37/12/75/656371275.db2.gz LCBWJAHKLGJTDK-JTQLQIEISA-N 1 2 291.311 -1.511 20 0 CAADLO O=C(CN1CC(NC(=O)Cn2cc[nH+]c2)C1)NC1CC1 ZINC001031476311 656371307 /nfs/dbraw/zinc/37/13/07/656371307.db2.gz HUUICXNFHOOHSS-UHFFFAOYSA-N 1 2 277.328 -1.038 20 0 CAADLO CN1CC[C@@H](N2CC(NC(=O)Cn3cc[nH+]c3)C2)C1=O ZINC001031477149 656371315 /nfs/dbraw/zinc/37/13/15/656371315.db2.gz QZCVTMPNWBLFFI-LLVKDONJSA-N 1 2 277.328 -1.086 20 0 CAADLO CN(C)C(=O)CN1CC(NC(=O)Cn2cc[nH+]c2)C1 ZINC001031476614 656371335 /nfs/dbraw/zinc/37/13/35/656371335.db2.gz YGXLVEXRVYKVHC-UHFFFAOYSA-N 1 2 265.317 -1.228 20 0 CAADLO C[C@H](C(N)=O)N1CC(NC(=O)Cn2cc[nH+]c2)C1 ZINC001031476288 656371359 /nfs/dbraw/zinc/37/13/59/656371359.db2.gz GFWMEKCAVQAQHZ-MRVPVSSYSA-N 1 2 251.290 -1.443 20 0 CAADLO C[C@@H](O)C[NH+]1CC(NC(=O)c2cccc(C(N)=O)n2)C1 ZINC001031457026 656371373 /nfs/dbraw/zinc/37/13/73/656371373.db2.gz WGCNRLXBDNEKHH-MRVPVSSYSA-N 1 2 278.312 -1.025 20 0 CAADLO NC(=O)c1cccc(C(=O)NC2C[NH+](CCCO)C2)n1 ZINC001031455841 656371388 /nfs/dbraw/zinc/37/13/88/656371388.db2.gz GURBNUCEYMQCGT-UHFFFAOYSA-N 1 2 278.312 -1.023 20 0 CAADLO O=C(Cn1cc[nH+]c1)NC1CN([C@@H]2CCC(=O)NC2=O)C1 ZINC001031476376 656371437 /nfs/dbraw/zinc/37/14/37/656371437.db2.gz LCBWJAHKLGJTDK-SNVBAGLBSA-N 1 2 291.311 -1.511 20 0 CAADLO Cn1nnc(CN2CC(NC(=O)Cn3cc[nH+]c3)C2)n1 ZINC001031476535 656371453 /nfs/dbraw/zinc/37/14/53/656371453.db2.gz TYQDYOSEZYPHMM-UHFFFAOYSA-N 1 2 276.304 -1.593 20 0 CAADLO CS(=O)(=O)CCN1CC(NC(=O)Cn2cc[nH+]c2)C1 ZINC001031476442 656371600 /nfs/dbraw/zinc/37/16/00/656371600.db2.gz OSSQSYMRFFNWEU-UHFFFAOYSA-N 1 2 286.357 -1.272 20 0 CAADLO CNC(=O)[C@H](C)N1CC(NC(=O)Cn2cc[nH+]c2)C1 ZINC001031476890 656371677 /nfs/dbraw/zinc/37/16/77/656371677.db2.gz KOBXEQSQZPSDQF-VIFPVBQESA-N 1 2 265.317 -1.182 20 0 CAADLO O=C(Cn1cc[nH+]c1)NC1CN(CCn2cncn2)C1 ZINC001031477036 656371845 /nfs/dbraw/zinc/37/18/45/656371845.db2.gz NKWUBQUXXHRYLP-UHFFFAOYSA-N 1 2 275.316 -1.025 20 0 CAADLO C[C@H](O)C[NH+]1CC(NC(=O)[C@H](C)N2CCOCC2)C1 ZINC001031492637 656372068 /nfs/dbraw/zinc/37/20/68/656372068.db2.gz LAZSPQMWBCYETP-QWRGUYRKSA-N 1 2 271.361 -1.112 20 0 CAADLO NC(=O)N1CCC[C@H]1C(=O)NC1C[NH+](CCO)C1 ZINC001031483074 656372262 /nfs/dbraw/zinc/37/22/62/656372262.db2.gz QKYDXFXYHSMNRF-VIFPVBQESA-N 1 2 256.306 -1.678 20 0 CAADLO C[C@@H](O)C[NH+]1CC(NC(=O)c2ccc(C(N)=O)nc2)C1 ZINC001031477861 656372365 /nfs/dbraw/zinc/37/23/65/656372365.db2.gz WOVWRFSEFZQABY-MRVPVSSYSA-N 1 2 278.312 -1.025 20 0 CAADLO C[C@H](O)C[NH+]1CC(NC(=O)[C@@H]2CCCN2C(N)=O)C1 ZINC001031483106 656372434 /nfs/dbraw/zinc/37/24/34/656372434.db2.gz RGVSXPOFWXYKJD-WPRPVWTQSA-N 1 2 270.333 -1.289 20 0 CAADLO CC(=O)NCC1C[NH+](CC(=O)N2CCC[C@@H](C(N)=O)C2)C1 ZINC001031503736 656372764 /nfs/dbraw/zinc/37/27/64/656372764.db2.gz MCSASMSOLZPSEW-GFCCVEGCSA-N 1 2 296.371 -1.222 20 0 CAADLO CC(=O)NCC1C[NH+](CC(=O)N2CCN(C(C)=O)CC2)C1 ZINC001031505726 656372791 /nfs/dbraw/zinc/37/27/91/656372791.db2.gz ARMQLIAQTOJGPH-UHFFFAOYSA-N 1 2 296.371 -1.255 20 0 CAADLO C[C@@H](O)C[NH+]1CC(NC(=O)C[C@@H]2CC(=O)NC2=O)C1 ZINC001031496940 656372906 /nfs/dbraw/zinc/37/29/06/656372906.db2.gz IHKJTDWBQDHHHT-HTQZYQBOSA-N 1 2 269.301 -1.780 20 0 CAADLO O=C(C[C@H]1CC(=O)NC1=O)NC1C[NH+](CCCO)C1 ZINC001031496875 656372959 /nfs/dbraw/zinc/37/29/59/656372959.db2.gz GTNWXLGWYCKIOX-QMMMGPOBSA-N 1 2 269.301 -1.778 20 0 CAADLO C[C@@H](O)C[NH+]1CC(NC(=O)C[C@H]2CC(=O)NC2=O)C1 ZINC001031496942 656373079 /nfs/dbraw/zinc/37/30/79/656373079.db2.gz IHKJTDWBQDHHHT-SFYZADRCSA-N 1 2 269.301 -1.780 20 0 CAADLO C[C@H](O)C[NH+]1CC(NC(=O)C[C@@H]2CC(=O)NC2=O)C1 ZINC001031496941 656373177 /nfs/dbraw/zinc/37/31/77/656373177.db2.gz IHKJTDWBQDHHHT-JGVFFNPUSA-N 1 2 269.301 -1.780 20 0 CAADLO O=C(C[C@@H]1CC(=O)NC1=O)NC1C[NH+](CCCO)C1 ZINC001031496874 656373197 /nfs/dbraw/zinc/37/31/97/656373197.db2.gz GTNWXLGWYCKIOX-MRVPVSSYSA-N 1 2 269.301 -1.778 20 0 CAADLO NC(=O)C[NH+]1CC(CNC(=O)C2CCOCC2)C1 ZINC001031513823 656373503 /nfs/dbraw/zinc/37/35/03/656373503.db2.gz RBSXJBMWHBLCJY-UHFFFAOYSA-N 1 2 255.318 -1.054 20 0 CAADLO CNC(=O)C[NH+]1CC(CNC(=O)c2ccc(=O)[nH]n2)C1 ZINC001031531017 656373601 /nfs/dbraw/zinc/37/36/01/656373601.db2.gz IGEOCKJNMJPKHA-UHFFFAOYSA-N 1 2 279.300 -1.410 20 0 CAADLO C[C@H](C(N)=O)[NH+]1CC(CNC(=O)c2ccc(=O)[nH]n2)C1 ZINC001031532604 656374087 /nfs/dbraw/zinc/37/40/87/656374087.db2.gz ZZNBUMJPBRYJNY-SSDOTTSWSA-N 1 2 279.300 -1.282 20 0 CAADLO Cc1cnc(C(=O)NCC2C[NH+](CC(N)=O)C2)cn1 ZINC001031525514 656374105 /nfs/dbraw/zinc/37/41/05/656374105.db2.gz MNNOODZRVCSANH-UHFFFAOYSA-N 1 2 263.301 -1.068 20 0 CAADLO Cn1cc(C(=O)NCC2C[NH+]([C@H]3CCNC3=O)C2)cn1 ZINC001031539888 656374222 /nfs/dbraw/zinc/37/42/22/656374222.db2.gz XBKAAPIKZSHBCU-NSHDSACASA-N 1 2 277.328 -1.030 20 0 CAADLO C[C@H](C(N)=O)[NH+]1CC(CNC(=O)c2cnn(C)c2)C1 ZINC001031539836 656374644 /nfs/dbraw/zinc/37/46/44/656374644.db2.gz VBXHWWLUMOBSMN-MRVPVSSYSA-N 1 2 265.317 -1.045 20 0 CAADLO C[C@@H](C(N)=O)[NH+]1CC(CNC(=O)[C@H]2COCCO2)C1 ZINC001031556691 656375014 /nfs/dbraw/zinc/37/50/14/656375014.db2.gz BSTHCCFYALMQEL-WCBMZHEXSA-N 1 2 271.317 -1.676 20 0 CAADLO C[C@@H](C(N)=O)[NH+]1CC(CNC(=O)[C@@H]2COCCO2)C1 ZINC001031556716 656375068 /nfs/dbraw/zinc/37/50/68/656375068.db2.gz BSTHCCFYALMQEL-WPRPVWTQSA-N 1 2 271.317 -1.676 20 0 CAADLO C[C@H](C(N)=O)[NH+]1CC(CNC(=O)[C@H]2COCCO2)C1 ZINC001031556689 656375285 /nfs/dbraw/zinc/37/52/85/656375285.db2.gz BSTHCCFYALMQEL-PSASIEDQSA-N 1 2 271.317 -1.676 20 0 CAADLO O=C(NCC1C[NH+]([C@H]2CCNC2=O)C1)[C@H]1COCCO1 ZINC001031556824 656375467 /nfs/dbraw/zinc/37/54/67/656375467.db2.gz FPHOTOFSWULVBP-WDEREUQCSA-N 1 2 283.328 -1.662 20 0 CAADLO CNC(=O)C[NH+]1CC(CNC(=O)c2cn[nH]c2)C1 ZINC001031558949 656375588 /nfs/dbraw/zinc/37/55/88/656375588.db2.gz RWGYRMZCFBBHQY-UHFFFAOYSA-N 1 2 251.290 -1.183 20 0 CAADLO CNC(=O)C[NH+]1CC(CNC(=O)[C@@H]2CCOC2)C1 ZINC001031569828 656375648 /nfs/dbraw/zinc/37/56/48/656375648.db2.gz ISWYRSNPTSHRAW-SNVBAGLBSA-N 1 2 255.318 -1.183 20 0 CAADLO C[C@H](C(N)=O)[NH+]1CC(CNC(=O)[C@@H]2CCOC2)C1 ZINC001031571325 656375989 /nfs/dbraw/zinc/37/59/89/656375989.db2.gz LDQGITUIISQJLE-PSASIEDQSA-N 1 2 255.318 -1.055 20 0 CAADLO CCO[C@@H]1C[C@H]1C(=O)NCC1C[NH+](CC(N)=O)C1 ZINC001031564724 656376020 /nfs/dbraw/zinc/37/60/20/656376020.db2.gz FXTPCCJZJXIKGM-NXEZZACHSA-N 1 2 255.318 -1.055 20 0 CAADLO C[C@H](C(N)=O)[NH+]1CC(CNC(=O)[C@H]2CCOC2)C1 ZINC001031571326 656376117 /nfs/dbraw/zinc/37/61/17/656376117.db2.gz LDQGITUIISQJLE-SCZZXKLOSA-N 1 2 255.318 -1.055 20 0 CAADLO Nc1nccnc1C(=O)NCC1C[NH+]([C@H]2CCNC2=O)C1 ZINC001031588493 656376325 /nfs/dbraw/zinc/37/63/25/656376325.db2.gz HWDYQDZNFCSOTJ-VIFPVBQESA-N 1 2 290.327 -1.391 20 0 CAADLO NC(=O)C[NH+]1CC(CNC(=O)[C@H]2CCC(=O)N2)C1 ZINC001031583389 656376359 /nfs/dbraw/zinc/37/63/59/656376359.db2.gz UPAPKYBXQFPPTO-MRVPVSSYSA-N 1 2 254.290 -2.202 20 0 CAADLO NC(=O)C[NH+]1CC(CNC(=O)[C@H]2CCCOC2)C1 ZINC001031578376 656376385 /nfs/dbraw/zinc/37/63/85/656376385.db2.gz XEVUVESWKJRWDK-JTQLQIEISA-N 1 2 255.318 -1.054 20 0 CAADLO CNC(=O)C[NH+]1CC(CNC(=O)[C@H]2CCC(=O)N2)C1 ZINC001031583097 656376423 /nfs/dbraw/zinc/37/64/23/656376423.db2.gz IVKKGAFHYOAAAZ-SECBINFHSA-N 1 2 268.317 -1.941 20 0 CAADLO COC(=O)[C@@H]1C[C@@H]1C(=O)NCC1C[NH+](CC(=O)N(C)C)C1 ZINC001031580711 656376454 /nfs/dbraw/zinc/37/64/54/656376454.db2.gz WPCGMCRNYGXWEQ-WDEREUQCSA-N 1 2 297.355 -1.068 20 0 CAADLO Nc1nccnc1C(=O)NCC1C[NH+]([C@@H]2CCNC2=O)C1 ZINC001031588492 656376630 /nfs/dbraw/zinc/37/66/30/656376630.db2.gz HWDYQDZNFCSOTJ-SECBINFHSA-N 1 2 290.327 -1.391 20 0 CAADLO O=C(NCC1C[NH+]([C@H]2CCNC2=O)C1)[C@H]1CCC(=O)N1 ZINC001031583312 656376702 /nfs/dbraw/zinc/37/67/02/656376702.db2.gz PZTZWQJCECSRJO-ZJUUUORDSA-N 1 2 280.328 -1.799 20 0 CAADLO CN(C)C(=O)C[NH+]1CC(CNC(=O)[C@H]2CCC(=O)N2)C1 ZINC001031583295 656376795 /nfs/dbraw/zinc/37/67/95/656376795.db2.gz PFZVNGKEJJXGHG-SNVBAGLBSA-N 1 2 282.344 -1.599 20 0 CAADLO COC(=O)[C@H]1C[C@H]1C(=O)NCC1C[NH+](CC(=O)N(C)C)C1 ZINC001031580709 656376867 /nfs/dbraw/zinc/37/68/67/656376867.db2.gz WPCGMCRNYGXWEQ-MNOVXSKESA-N 1 2 297.355 -1.068 20 0 CAADLO COC(=O)[C@H]1C[C@H]1C(=O)NCC1C[NH+](CC(N)=O)C1 ZINC001031579550 656376870 /nfs/dbraw/zinc/37/68/70/656376870.db2.gz RDKPEZGLXYAALP-BDAKNGLRSA-N 1 2 269.301 -1.671 20 0 CAADLO NC(=O)C[NH+]1CC(CNC(=O)c2cccc(=O)[nH]2)C1 ZINC001031600020 656377359 /nfs/dbraw/zinc/37/73/59/656377359.db2.gz IFVFKIGUIRRJAR-UHFFFAOYSA-N 1 2 264.285 -1.066 20 0 CAADLO CNC(=O)[C@@H](C)[NH+]1CC(CNC(=O)c2nccnc2N)C1 ZINC001031589726 656377377 /nfs/dbraw/zinc/37/73/77/656377377.db2.gz GOPNMYODQVJRGG-MRVPVSSYSA-N 1 2 292.343 -1.145 20 0 CAADLO CNC(=O)[C@H](C)[NH+]1CC(CNC(=O)c2nnn(C)c2C)C1 ZINC001031591399 656377473 /nfs/dbraw/zinc/37/74/73/656377473.db2.gz MVKCAFXUMGHJRV-VIFPVBQESA-N 1 2 294.359 -1.080 20 0 CAADLO Cc1c(C(=O)NCC2C[NH+]([C@H](C)C(N)=O)C2)nnn1C ZINC001031590796 656377613 /nfs/dbraw/zinc/37/76/13/656377613.db2.gz HOELWWXVRKXSHL-MRVPVSSYSA-N 1 2 280.332 -1.341 20 0 CAADLO Cc1c(C(=O)NCC2C[NH+]([C@@H]3CCNC3=O)C2)nnn1C ZINC001031592775 656377647 /nfs/dbraw/zinc/37/76/47/656377647.db2.gz CEZIZJFOGSYMLQ-SNVBAGLBSA-N 1 2 292.343 -1.326 20 0 CAADLO Cc1c(C(=O)NCC2C[NH+]([C@@H](C)C(N)=O)C2)nnn1C ZINC001031590800 656377666 /nfs/dbraw/zinc/37/76/66/656377666.db2.gz HOELWWXVRKXSHL-QMMMGPOBSA-N 1 2 280.332 -1.341 20 0 CAADLO C[C@@H](C(N)=O)[NH+]1CC(CNC(=O)[C@@H]2COCCN2C)C1 ZINC001031621198 656377816 /nfs/dbraw/zinc/37/78/16/656377816.db2.gz GKGQBCLOYMDQAC-ONGXEEELSA-N 1 2 284.360 -1.761 20 0 CAADLO CN1CCOC[C@@H]1C(=O)NCC1C[NH+](CC(N)=O)C1 ZINC001031621648 656377866 /nfs/dbraw/zinc/37/78/66/656377866.db2.gz LLXRSPADILOWHT-SNVBAGLBSA-N 1 2 270.333 -2.150 20 0 CAADLO CN1CCOC[C@H]1C(=O)NCC1C[NH+]([C@@H]2CCNC2=O)C1 ZINC001031621521 656377985 /nfs/dbraw/zinc/37/79/85/656377985.db2.gz KNJAFLUUWVVGHW-NEPJUHHUSA-N 1 2 296.371 -1.747 20 0 CAADLO O=C(NCC1C[NH+]([C@H]2CCNC2=O)C1)[C@@H]1CCNC(=O)C1 ZINC001031613357 656378170 /nfs/dbraw/zinc/37/81/70/656378170.db2.gz MCQCBIRWUULFRO-MNOVXSKESA-N 1 2 294.355 -1.551 20 0 CAADLO C[C@H](C(N)=O)[NH+]1CC(CNC(=O)c2cn(C)cn2)C1 ZINC001031615563 656378348 /nfs/dbraw/zinc/37/83/48/656378348.db2.gz RMLBGARHOYNHHU-MRVPVSSYSA-N 1 2 265.317 -1.045 20 0 CAADLO CNS(=O)(=O)N[C@H](C)[C@@H]1CN(C)CC[N@@H+]1C ZINC000919980674 656378603 /nfs/dbraw/zinc/37/86/03/656378603.db2.gz FIDBAWNOCYMWSC-BDAKNGLRSA-N 1 2 250.368 -1.326 20 0 CAADLO CNS(=O)(=O)N[C@H](C)[C@@H]1CN(C)CC[N@H+]1C ZINC000919980674 656378607 /nfs/dbraw/zinc/37/86/07/656378607.db2.gz FIDBAWNOCYMWSC-BDAKNGLRSA-N 1 2 250.368 -1.326 20 0 CAADLO Cn1ncc(C(=O)NCC2C[NH+](CC(N)=O)C2)c1N ZINC001031629470 656378651 /nfs/dbraw/zinc/37/86/51/656378651.db2.gz XGUFHLMFMBSARK-UHFFFAOYSA-N 1 2 266.305 -1.851 20 0 CAADLO CNS(=O)(=O)N[C@H](C)[C@H]1CN(C)CC[N@@H+]1C ZINC000919980677 656378771 /nfs/dbraw/zinc/37/87/71/656378771.db2.gz FIDBAWNOCYMWSC-RKDXNWHRSA-N 1 2 250.368 -1.326 20 0 CAADLO CNS(=O)(=O)N[C@H](C)[C@H]1CN(C)CC[N@H+]1C ZINC000919980677 656378776 /nfs/dbraw/zinc/37/87/76/656378776.db2.gz FIDBAWNOCYMWSC-RKDXNWHRSA-N 1 2 250.368 -1.326 20 0 CAADLO Cn1ncc(C(=O)NCC2C[NH+]([C@H]3CCNC3=O)C2)c1N ZINC001031628891 656378845 /nfs/dbraw/zinc/37/88/45/656378845.db2.gz FWKVZNPAZLPUOR-JTQLQIEISA-N 1 2 292.343 -1.448 20 0 CAADLO C[C@H](C(N)=O)[NH+]1CC(CNC(=O)c2cc(=O)n(C)o2)C1 ZINC001031634211 656379002 /nfs/dbraw/zinc/37/90/02/656379002.db2.gz PBPLJKMZIRERIU-SSDOTTSWSA-N 1 2 282.300 -1.486 20 0 CAADLO CC(=O)N1CC(C(=O)NCC2C[NH+]([C@H](C)C(N)=O)C2)C1 ZINC001031634521 656379333 /nfs/dbraw/zinc/37/93/33/656379333.db2.gz BDLYASOLABUKDA-MRVPVSSYSA-N 1 2 282.344 -1.614 20 0 CAADLO Cn1nncc1C(=O)NCC1C[NH+]([C@H]2CCNC2=O)C1 ZINC001031643758 656379616 /nfs/dbraw/zinc/37/96/16/656379616.db2.gz CBZFIXNYXUBARE-VIFPVBQESA-N 1 2 278.316 -1.635 20 0 CAADLO C[C@@H](C(N)=O)[NH+]1CC(CNC(=O)c2cnnn2C)C1 ZINC001031645321 656379785 /nfs/dbraw/zinc/37/97/85/656379785.db2.gz GXTJLEDRQJSSAO-ZETCQYMHSA-N 1 2 266.305 -1.650 20 0 CAADLO Cn1nncc1C(=O)NCC1C[NH+](CC(=O)NC2CC2)C1 ZINC001031644090 656379810 /nfs/dbraw/zinc/37/98/10/656379810.db2.gz NGNFUFZPPXGKOM-UHFFFAOYSA-N 1 2 292.343 -1.245 20 0 CAADLO CCNS(=O)(=O)NCC[N@@H+]1CCC2(C1)OCCO2 ZINC000920101976 656379949 /nfs/dbraw/zinc/37/99/49/656379949.db2.gz BPFFSMMBBPZPPX-UHFFFAOYSA-N 1 2 279.362 -1.121 20 0 CAADLO CCNS(=O)(=O)NCC[N@H+]1CCC2(C1)OCCO2 ZINC000920101976 656379953 /nfs/dbraw/zinc/37/99/53/656379953.db2.gz BPFFSMMBBPZPPX-UHFFFAOYSA-N 1 2 279.362 -1.121 20 0 CAADLO CC(=O)N1CC(C(=O)NCC2C[NH+]([C@@H](C)C(N)=O)C2)C1 ZINC001031634523 656380091 /nfs/dbraw/zinc/38/00/91/656380091.db2.gz BDLYASOLABUKDA-QMMMGPOBSA-N 1 2 282.344 -1.614 20 0 CAADLO O=C(C[NH+]1CC(CNC(=O)[C@H]2COC(=O)N2)C1)NC1CC1 ZINC001031647742 656380330 /nfs/dbraw/zinc/38/03/30/656380330.db2.gz RMOPBUONLYIMAP-SNVBAGLBSA-N 1 2 296.327 -1.579 20 0 CAADLO CNC(=O)C[NH+]1CC(CNC(=O)c2cn(C)nn2)C1 ZINC001031650034 656380333 /nfs/dbraw/zinc/38/03/33/656380333.db2.gz RUBBNPCUARQOIY-UHFFFAOYSA-N 1 2 266.305 -1.777 20 0 CAADLO Cn1cc(C(=O)NCC2C[NH+]([C@@H]3CCNC3=O)C2)nn1 ZINC001031650044 656380486 /nfs/dbraw/zinc/38/04/86/656380486.db2.gz RZZGSWGUNHPDED-SNVBAGLBSA-N 1 2 278.316 -1.635 20 0 CAADLO O=C(NCC1C[NH+]([C@@H]2CCNC2=O)C1)[C@H]1COC(=O)N1 ZINC001031647721 656380532 /nfs/dbraw/zinc/38/05/32/656380532.db2.gz QUQFMEIBPWWKHD-RKDXNWHRSA-N 1 2 282.300 -1.969 20 0 CAADLO Cn1cnc(C(=O)NCC2C[NH+](CC(=O)NC3CC3)C2)n1 ZINC001031648469 656380688 /nfs/dbraw/zinc/38/06/88/656380688.db2.gz QKFVIVNBBWXVPV-UHFFFAOYSA-N 1 2 292.343 -1.245 20 0 CAADLO O=C(NCC1C[NH+]([C@H]2CCNC2=O)C1)[C@@H]1COC(=O)N1 ZINC001031647720 656380772 /nfs/dbraw/zinc/38/07/72/656380772.db2.gz QUQFMEIBPWWKHD-IUCAKERBSA-N 1 2 282.300 -1.969 20 0 CAADLO CNC(=O)C[NH+]1CC(CNC(=O)c2ncc[nH]2)C1 ZINC001031656888 656380981 /nfs/dbraw/zinc/38/09/81/656380981.db2.gz KKDOKEFOFPQGES-UHFFFAOYSA-N 1 2 251.290 -1.183 20 0 CAADLO COC(=O)N(C)CC(=O)N1CCC[N@H+](CC(N)=O)CC1 ZINC000920451085 656381030 /nfs/dbraw/zinc/38/10/30/656381030.db2.gz WVDFVLSJQKLVGH-UHFFFAOYSA-N 1 2 286.332 -1.296 20 0 CAADLO COC(=O)N(C)CC(=O)N1CCC[N@@H+](CC(N)=O)CC1 ZINC000920451085 656381032 /nfs/dbraw/zinc/38/10/32/656381032.db2.gz WVDFVLSJQKLVGH-UHFFFAOYSA-N 1 2 286.332 -1.296 20 0 CAADLO CCOC(=O)NCC(=O)NC[C@@H](O)C[NH+]1CCOCC1 ZINC000920445124 656381044 /nfs/dbraw/zinc/38/10/44/656381044.db2.gz MGHFHCPAJKWJDU-SNVBAGLBSA-N 1 2 289.332 -1.458 20 0 CAADLO CNC(=O)[C@@H](C)[NH+]1CC(CNC(=O)c2cn(C)nn2)C1 ZINC001031651395 656381049 /nfs/dbraw/zinc/38/10/49/656381049.db2.gz QJEOTICZMHEMHC-MRVPVSSYSA-N 1 2 280.332 -1.389 20 0 CAADLO NC(=O)C[N@@H+]1CCCN(C(=O)Cn2cccn2)CC1 ZINC000920450501 656381553 /nfs/dbraw/zinc/38/15/53/656381553.db2.gz NJICPZUDYDRVMX-UHFFFAOYSA-N 1 2 265.317 -1.097 20 0 CAADLO NC(=O)C[N@H+]1CCCN(C(=O)Cn2cccn2)CC1 ZINC000920450501 656381559 /nfs/dbraw/zinc/38/15/59/656381559.db2.gz NJICPZUDYDRVMX-UHFFFAOYSA-N 1 2 265.317 -1.097 20 0 CAADLO CNC(=O)[C@H](C)[NH+]1CC(CNC(=O)c2ncn(C)n2)C1 ZINC001031652437 656381677 /nfs/dbraw/zinc/38/16/77/656381677.db2.gz HIBOAMGNZVTGJA-QMMMGPOBSA-N 1 2 280.332 -1.389 20 0 CAADLO CCn1ncc(C(=O)NCC2C[NH+]([C@@H](C)C(N)=O)C2)n1 ZINC001031652121 656381719 /nfs/dbraw/zinc/38/17/19/656381719.db2.gz ULRREPONGYUUKY-QMMMGPOBSA-N 1 2 280.332 -1.167 20 0 CAADLO C[C@H]1CC(=O)N[C@@H](C(=O)NCC2C[NH+](CC(N)=O)C2)C1 ZINC001031677191 656381929 /nfs/dbraw/zinc/38/19/29/656381929.db2.gz AUMXJAXDLKQGBG-PSASIEDQSA-N 1 2 282.344 -1.566 20 0 CAADLO C[C@H](C(N)=O)[NH+]1CC(CNC(=O)[C@H]2C[C@@H](C)CC(=O)N2)C1 ZINC001031677239 656381997 /nfs/dbraw/zinc/38/19/97/656381997.db2.gz CAIIMNRAOXIBNG-FXPVBKGRSA-N 1 2 296.371 -1.177 20 0 CAADLO CN(C)c1cnc(C(=O)NCC2C[NH+](CC(N)=O)C2)cn1 ZINC001031670278 656382109 /nfs/dbraw/zinc/38/21/09/656382109.db2.gz HVUNSYZIJYBDEC-UHFFFAOYSA-N 1 2 292.343 -1.311 20 0 CAADLO C[NH+]1CCN(C(=O)CNS(=O)(=O)c2ncc[nH]2)CC1 ZINC000920528535 656382155 /nfs/dbraw/zinc/38/21/55/656382155.db2.gz YSHFHDZPLKRDGP-UHFFFAOYSA-N 1 2 287.345 -1.538 20 0 CAADLO C[C@@H](C(N)=O)[NH+]1CC(CNC(=O)[C@]23C[C@H]2COC3)C1 ZINC001031685932 656382759 /nfs/dbraw/zinc/38/27/59/656382759.db2.gz IGQJJXXIZUQQQD-FWDPORAESA-N 1 2 267.329 -1.055 20 0 CAADLO CNC(=O)C[NH+]1CC(CNC(=O)[C@]23C[C@H]2COC3)C1 ZINC001031686856 656382802 /nfs/dbraw/zinc/38/28/02/656382802.db2.gz DJOAUQVFGXXDGY-GWCFXTLKSA-N 1 2 267.329 -1.183 20 0 CAADLO O=C(NCCO[C@@H]1CCOC1)C(=O)NCCn1cc[nH+]c1 ZINC000929203946 656382962 /nfs/dbraw/zinc/38/29/62/656382962.db2.gz XRKVVSQJHQDSKW-LLVKDONJSA-N 1 2 296.327 -1.079 20 0 CAADLO NC(=O)C[NH+]1CC(CNC(=O)c2cn3c(n2)CCC3)C1 ZINC001031680885 656383157 /nfs/dbraw/zinc/38/31/57/656383157.db2.gz UTNJXLAFIMUYKD-UHFFFAOYSA-N 1 2 277.328 -1.024 20 0 CAADLO CN1C[C@@H](C(=O)NCC2C[NH+]([C@@H]3CCNC3=O)C2)CC1=O ZINC001031712139 656384412 /nfs/dbraw/zinc/38/44/12/656384412.db2.gz QFHXWDZYAIDRJU-WDEREUQCSA-N 1 2 294.355 -1.599 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)C[C@@H]2CCC(=O)N2)C1 ZINC001015834948 656384560 /nfs/dbraw/zinc/38/45/60/656384560.db2.gz NWNGJSHZWLOOPR-IUCAKERBSA-N 1 2 268.317 -1.669 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)C[C@@H]2CCC(=O)N2)C1 ZINC001015834948 656384562 /nfs/dbraw/zinc/38/45/62/656384562.db2.gz NWNGJSHZWLOOPR-IUCAKERBSA-N 1 2 268.317 -1.669 20 0 CAADLO CNC(=O)C[NH+]1CC(CNC(=O)[C@H]2CC(=O)N(C)C2)C1 ZINC001031709485 656384578 /nfs/dbraw/zinc/38/45/78/656384578.db2.gz OYKICUYCLFKLBY-JTQLQIEISA-N 1 2 282.344 -1.741 20 0 CAADLO CN1C[C@H](C(=O)NCC2C[NH+]([C@H]3CCNC3=O)C2)CC1=O ZINC001031712137 656384857 /nfs/dbraw/zinc/38/48/57/656384857.db2.gz QFHXWDZYAIDRJU-MNOVXSKESA-N 1 2 294.355 -1.599 20 0 CAADLO CC(C)N1C[C@H](C(=O)NCC2C[NH+](CC(N)=O)C2)CC1=O ZINC001031710322 656384959 /nfs/dbraw/zinc/38/49/59/656384959.db2.gz IPAPQUZBHHYPBI-LLVKDONJSA-N 1 2 296.371 -1.223 20 0 CAADLO NC(=O)C[NH+]1CC(CNC(=O)c2cc3n(n2)CCC3)C1 ZINC001031716553 656385136 /nfs/dbraw/zinc/38/51/36/656385136.db2.gz HRRJJSLQTCOQEY-UHFFFAOYSA-N 1 2 277.328 -1.024 20 0 CAADLO O=C(NCC1C[NH+](CCO)C1)[C@H]1CCCCS1(=O)=O ZINC001031728114 656385343 /nfs/dbraw/zinc/38/53/43/656385343.db2.gz HPRJSYNMXBCMGM-LLVKDONJSA-N 1 2 290.385 -1.006 20 0 CAADLO Cn1c[nH+]cc1CC(=O)N[C@H]1CCN(C(=O)C(N)=O)C1 ZINC000938317320 656385441 /nfs/dbraw/zinc/38/54/41/656385441.db2.gz QLYOANMVAGCZNM-QMMMGPOBSA-N 1 2 279.300 -1.835 20 0 CAADLO CCn1nnc(C)c1C(=O)NCC1C[NH+](CC(N)=O)C1 ZINC001031727827 656385474 /nfs/dbraw/zinc/38/54/74/656385474.db2.gz VQQBXOLRBXIJEA-UHFFFAOYSA-N 1 2 280.332 -1.247 20 0 CAADLO C[C@@H](C(N)=O)[NH+]1CC(CNC(=O)c2cc3n(n2)CCO3)C1 ZINC001031734151 656386958 /nfs/dbraw/zinc/38/69/58/656386958.db2.gz DRHCBYRXQVGDRW-QMMMGPOBSA-N 1 2 293.327 -1.189 20 0 CAADLO Cn1c[nH+]cc1CC(=O)N1CC[C@H](NC(=O)C(N)=O)C1 ZINC000938580529 656387868 /nfs/dbraw/zinc/38/78/68/656387868.db2.gz DVYWZUDAEBYLCD-QMMMGPOBSA-N 1 2 279.300 -1.835 20 0 CAADLO NC(=O)C(=O)N[C@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000938580675 656388013 /nfs/dbraw/zinc/38/80/13/656388013.db2.gz LHLZBYZUMCKSRC-QMMMGPOBSA-N 1 2 279.300 -1.455 20 0 CAADLO Cn1c[nH+]cc1CCC(=O)N1CC[C@H](NC(=O)C(N)=O)C1 ZINC000938582563 656388253 /nfs/dbraw/zinc/38/82/53/656388253.db2.gz WTHVGGYNIABWJX-VIFPVBQESA-N 1 2 293.327 -1.445 20 0 CAADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@H](NC(=O)C(N)=O)C1 ZINC000938584227 656388574 /nfs/dbraw/zinc/38/85/74/656388574.db2.gz WLMTXFMCZJPTIU-IUCAKERBSA-N 1 2 293.327 -1.209 20 0 CAADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@H](NC(=O)C(N)=O)C1 ZINC000938584227 656388578 /nfs/dbraw/zinc/38/85/78/656388578.db2.gz WLMTXFMCZJPTIU-IUCAKERBSA-N 1 2 293.327 -1.209 20 0 CAADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@H](NC(=O)C(N)=O)C1 ZINC000938584226 656388834 /nfs/dbraw/zinc/38/88/34/656388834.db2.gz WLMTXFMCZJPTIU-BDAKNGLRSA-N 1 2 293.327 -1.209 20 0 CAADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@H](NC(=O)C(N)=O)C1 ZINC000938584226 656388837 /nfs/dbraw/zinc/38/88/37/656388837.db2.gz WLMTXFMCZJPTIU-BDAKNGLRSA-N 1 2 293.327 -1.209 20 0 CAADLO C[C@@H]1OCCO[C@@H]1C(=O)NCC1C[NH+](CC(N)=O)C1 ZINC001031743433 656389598 /nfs/dbraw/zinc/38/95/98/656389598.db2.gz UTYGVEIJHKZMLT-KWQFWETISA-N 1 2 271.317 -1.676 20 0 CAADLO C[C@@H]1OCCO[C@@H]1C(=O)NCC1C[NH+]([C@@H]2CCNC2=O)C1 ZINC001031743516 656389674 /nfs/dbraw/zinc/38/96/74/656389674.db2.gz XYKSXZUQCNCCSF-WCQGTBRESA-N 1 2 297.355 -1.273 20 0 CAADLO CNC(=O)C[NH+]1CC(CNC(=O)c2cn[nH]c(=O)c2)C1 ZINC001031750763 656390847 /nfs/dbraw/zinc/39/08/47/656390847.db2.gz HBZTUGKHACHESM-UHFFFAOYSA-N 1 2 279.300 -1.410 20 0 CAADLO C[C@H](C(N)=O)[NH+]1CC(CNC(=O)c2cnc[nH]c2=O)C1 ZINC001031757011 656391162 /nfs/dbraw/zinc/39/11/62/656391162.db2.gz DEQDDVPDUQWGSZ-SSDOTTSWSA-N 1 2 279.300 -1.282 20 0 CAADLO CNC(=O)C[NH+]1CC(CNC(=O)[C@H]2CCCC(=O)N2)C1 ZINC001031754943 656391190 /nfs/dbraw/zinc/39/11/90/656391190.db2.gz UZUSOSHWMSQJIW-SNVBAGLBSA-N 1 2 282.344 -1.551 20 0 CAADLO CN(C)C(=O)C[NH+]1CC(CNC(=O)[C@H]2CCCC(=O)N2)C1 ZINC001031754979 656391483 /nfs/dbraw/zinc/39/14/83/656391483.db2.gz WMVNSRNEKCPPFE-LLVKDONJSA-N 1 2 296.371 -1.209 20 0 CAADLO NC(=O)C[NH+]1CC(CNC(=O)c2cnc[nH]c2=O)C1 ZINC001031757056 656391554 /nfs/dbraw/zinc/39/15/54/656391554.db2.gz DLCWJXKWCYZCEL-UHFFFAOYSA-N 1 2 265.273 -1.671 20 0 CAADLO CCOc1cc(C(=O)NCC2C[NH+](CC(N)=O)C2)[nH]n1 ZINC001031763755 656391621 /nfs/dbraw/zinc/39/16/21/656391621.db2.gz XRGBSSCDEOHTSM-UHFFFAOYSA-N 1 2 281.316 -1.045 20 0 CAADLO Cc1nc(C(=O)NCC2C[NH+](CC(N)=O)C2)c(=O)[nH]c1C ZINC001031761844 656391690 /nfs/dbraw/zinc/39/16/90/656391690.db2.gz DJGDRZRIRRYHPU-UHFFFAOYSA-N 1 2 293.327 -1.054 20 0 CAADLO NC(=O)CN1CC(CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001031783114 656391960 /nfs/dbraw/zinc/39/19/60/656391960.db2.gz AVJZXBICIMOJEB-LLVKDONJSA-N 1 2 291.355 -1.021 20 0 CAADLO C[C@H](C(N)=O)[NH+]1CC(CNC(=O)[C@H]2CCN(C)C(=O)C2)C1 ZINC001031778362 656392101 /nfs/dbraw/zinc/39/21/01/656392101.db2.gz WVWWWEKHJKDMQA-KOLCDFICSA-N 1 2 296.371 -1.223 20 0 CAADLO C[C@H]1C[C@@H](C(=O)NCC2C[NH+](CC(N)=O)C2)CO1 ZINC001031790119 656392118 /nfs/dbraw/zinc/39/21/18/656392118.db2.gz RIKVFCZUDNCYSU-WCBMZHEXSA-N 1 2 255.318 -1.055 20 0 CAADLO CCN1CCOC[C@H]1C(=O)NCC1C[NH+](CC(N)=O)C1 ZINC001031797335 656392151 /nfs/dbraw/zinc/39/21/51/656392151.db2.gz OSIGHXATLCDCCA-NSHDSACASA-N 1 2 284.360 -1.760 20 0 CAADLO C[C@H]1C[C@H](C(=O)NCC2C[NH+](CC(N)=O)C2)CO1 ZINC001031790121 656392160 /nfs/dbraw/zinc/39/21/60/656392160.db2.gz RIKVFCZUDNCYSU-WPRPVWTQSA-N 1 2 255.318 -1.055 20 0 CAADLO NC(=O)CN1CC(CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001031775935 656392308 /nfs/dbraw/zinc/39/23/08/656392308.db2.gz LGXQGIJIIOQHKD-LLVKDONJSA-N 1 2 291.355 -1.021 20 0 CAADLO C[NH+](C)Cc1cc(C(=O)NCC2CN(CC(N)=O)C2)no1 ZINC001031800167 656392337 /nfs/dbraw/zinc/39/23/37/656392337.db2.gz VBXLUUNBUVFJPF-UHFFFAOYSA-N 1 2 295.343 -1.117 20 0 CAADLO CCN1CCOC[C@H]1C(=O)NCC1C[NH+](CC(=O)NC)C1 ZINC001031796479 656392420 /nfs/dbraw/zinc/39/24/20/656392420.db2.gz LOQSPAPHUIPQNY-LBPRGKRZSA-N 1 2 298.387 -1.499 20 0 CAADLO NC(=O)C[NH+]1CC(CNC(=O)c2cnn(CCF)c2)C1 ZINC001031799595 656392447 /nfs/dbraw/zinc/39/24/47/656392447.db2.gz ARTLJQRLMGAYHS-UHFFFAOYSA-N 1 2 283.307 -1.001 20 0 CAADLO CNC(=O)C[NH+]1CC(CNC(=O)[C@H]2CCN(C)C(=O)C2)C1 ZINC001031778401 656392545 /nfs/dbraw/zinc/39/25/45/656392545.db2.gz YCYRTURRJQDIDX-NSHDSACASA-N 1 2 296.371 -1.351 20 0 CAADLO CC(C)(C(N)=O)C(=O)N1CC(NC(=O)Cn2cc[nH+]c2)C1 ZINC000994917707 656392802 /nfs/dbraw/zinc/39/28/02/656392802.db2.gz KKBAFVWRVQZHTP-UHFFFAOYSA-N 1 2 293.327 -1.278 20 0 CAADLO COCC(=O)N1CC(NC(=O)Cn2cc[nH+]c2)C1 ZINC000994911208 656393038 /nfs/dbraw/zinc/39/30/38/656393038.db2.gz FKGDAXDSOZRVCB-UHFFFAOYSA-N 1 2 252.274 -1.144 20 0 CAADLO CNC(=O)C[NH+]1CC(CNC(=O)[C@@H]2CC(=O)N[C@@H](C)C2)C1 ZINC001031802546 656393096 /nfs/dbraw/zinc/39/30/96/656393096.db2.gz PKMZRZPUMLNDON-ONGXEEELSA-N 1 2 296.371 -1.305 20 0 CAADLO C[C@H](C(N)=O)[NH+]1CC(CNC(=O)[C@@H]2CCC(=O)NC2)C1 ZINC001031803027 656393118 /nfs/dbraw/zinc/39/31/18/656393118.db2.gz VBXKTBZZVLYJCB-PSASIEDQSA-N 1 2 282.344 -1.566 20 0 CAADLO O=C(Cn1cc[nH+]c1)NC1CN(C(=O)Cn2cncn2)C1 ZINC000994914962 656393173 /nfs/dbraw/zinc/39/31/73/656393173.db2.gz AAINMFBMLVXSMO-UHFFFAOYSA-N 1 2 289.299 -1.498 20 0 CAADLO O=C(NCC1C[NH+]([C@@H]2CCNC2=O)C1)[C@@H]1CCC(=O)NC1 ZINC001031804737 656393417 /nfs/dbraw/zinc/39/34/17/656393417.db2.gz KIVJHOQSTSYHDK-GHMZBOCLSA-N 1 2 294.355 -1.551 20 0 CAADLO C[C@H]1C[C@@H](C(=O)NCC2C[NH+](CC(N)=O)C2)CC(=O)N1 ZINC001031803099 656393515 /nfs/dbraw/zinc/39/35/15/656393515.db2.gz WJTCGKBBYVIAAY-WCBMZHEXSA-N 1 2 282.344 -1.566 20 0 CAADLO O=C(Cn1cc[nH+]c1)NC1CN(C(=O)c2cn[nH]n2)C1 ZINC000994926051 656394015 /nfs/dbraw/zinc/39/40/15/656394015.db2.gz LDQGOXJOLSRNCA-UHFFFAOYSA-N 1 2 275.272 -1.358 20 0 CAADLO Cn1cc(C(N)=O)cc1C(=O)NCC1C[NH+](CC(N)=O)C1 ZINC001031816611 656394643 /nfs/dbraw/zinc/39/46/43/656394643.db2.gz GYJVBDUHLIHNKO-UHFFFAOYSA-N 1 2 293.327 -1.729 20 0 CAADLO C[C@@H]1CN(C(=O)c2nc[nH]n2)C[C@H]1[NH2+]Cc1nnn(C)n1 ZINC000939337661 656395068 /nfs/dbraw/zinc/39/50/68/656395068.db2.gz JTVDSQZJJMUQTQ-HTQZYQBOSA-N 1 2 291.319 -1.422 20 0 CAADLO NC(=O)C[NH+]1CC(CNC(=O)[C@@H]2CCCN(C(N)=O)C2)C1 ZINC001031826016 656395974 /nfs/dbraw/zinc/39/59/74/656395974.db2.gz ASQXIZKHYXZFCR-SNVBAGLBSA-N 1 2 297.359 -1.690 20 0 CAADLO C[C@H](O)C[NH+]1CC(CNC(=O)[C@@H]2CCS(=O)(=O)C2)C1 ZINC001031825957 656395981 /nfs/dbraw/zinc/39/59/81/656395981.db2.gz ZKUHYILCEQHLHH-GXSJLCMTSA-N 1 2 290.385 -1.150 20 0 CAADLO Cn1cncc1C(=O)NCC1C[NH+]([C@H]2CCNC2=O)C1 ZINC001031818846 656396180 /nfs/dbraw/zinc/39/61/80/656396180.db2.gz DYJMOWHJGXLQQT-JTQLQIEISA-N 1 2 277.328 -1.030 20 0 CAADLO C[C@H](O)C[NH+]1CC(CNC(=O)[C@H]2CCS(=O)(=O)C2)C1 ZINC001031825960 656396435 /nfs/dbraw/zinc/39/64/35/656396435.db2.gz ZKUHYILCEQHLHH-ONGXEEELSA-N 1 2 290.385 -1.150 20 0 CAADLO C[C@@H](C(N)=O)[NH+]1CC(CNC(=O)c2ccc(C(N)=O)o2)C1 ZINC001031831131 656396763 /nfs/dbraw/zinc/39/67/63/656396763.db2.gz ZXMJPIKFOXJDIM-ZETCQYMHSA-N 1 2 294.311 -1.086 20 0 CAADLO C[C@@H]1CN(C(=O)CC(N)=O)C[C@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC000939525351 656396857 /nfs/dbraw/zinc/39/68/57/656396857.db2.gz VOGSSJOHVOPIPP-RKDXNWHRSA-N 1 2 293.327 -1.209 20 0 CAADLO C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1NC(=O)C(N)=O ZINC000939701035 656398529 /nfs/dbraw/zinc/39/85/29/656398529.db2.gz SPIKBQQDBVDBMN-VXNVDRBHSA-N 1 2 279.300 -1.599 20 0 CAADLO C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1NC(=O)C(N)=O ZINC000939692645 656398974 /nfs/dbraw/zinc/39/89/74/656398974.db2.gz QJOGZAKTXPQXDW-PSASIEDQSA-N 1 2 293.327 -1.589 20 0 CAADLO NC(=O)C[NH+]1CC(CNC(=O)c2ccc3nnnn3c2)C1 ZINC001031844434 656399042 /nfs/dbraw/zinc/39/90/42/656399042.db2.gz OKQWAGUHNQCORI-UHFFFAOYSA-N 1 2 289.299 -1.729 20 0 CAADLO C[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1NC(=O)C(N)=O ZINC000939692126 656399221 /nfs/dbraw/zinc/39/92/21/656399221.db2.gz XYMZVHLZUBJCJS-PSASIEDQSA-N 1 2 293.327 -1.209 20 0 CAADLO C[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1NC(=O)C(N)=O ZINC000939692126 656399223 /nfs/dbraw/zinc/39/92/23/656399223.db2.gz XYMZVHLZUBJCJS-PSASIEDQSA-N 1 2 293.327 -1.209 20 0 CAADLO C[C@H]1CO[C@@H](C(=O)NCC2C[NH+](CC(N)=O)C2)C1 ZINC001031858481 656399657 /nfs/dbraw/zinc/39/96/57/656399657.db2.gz APLVFIXSTMJEFO-PSASIEDQSA-N 1 2 255.318 -1.055 20 0 CAADLO NC(=O)C[NH+]1CC(CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC001031859303 656400468 /nfs/dbraw/zinc/40/04/68/656400468.db2.gz RTRFAVMUYQANET-OQEOFVATSA-N 1 2 279.340 -1.057 20 0 CAADLO CC[C@H]1C[C@@H](C(=O)NCC2C[NH+](CC(N)=O)C2)CC(=O)N1 ZINC001031874848 656400681 /nfs/dbraw/zinc/40/06/81/656400681.db2.gz YWQHFGKEANFEIP-MNOVXSKESA-N 1 2 296.371 -1.176 20 0 CAADLO C[C@H](C(N)=O)[NH+]1CC(CNC(=O)c2coc(C(N)=O)c2)C1 ZINC001031872278 656401044 /nfs/dbraw/zinc/40/10/44/656401044.db2.gz HZYGXGQTNAZTQK-SSDOTTSWSA-N 1 2 294.311 -1.086 20 0 CAADLO NC(=O)C[NH+]1CC(CNC(=O)[C@@H]2CCNC(=O)CC2)C1 ZINC001031877668 656401547 /nfs/dbraw/zinc/40/15/47/656401547.db2.gz WIQPRNHZXLVWGH-JTQLQIEISA-N 1 2 282.344 -1.564 20 0 CAADLO NC(=O)C[NH+]1CC(CNC(=O)[C@H]2CCNC(=O)CC2)C1 ZINC001031877669 656401870 /nfs/dbraw/zinc/40/18/70/656401870.db2.gz WIQPRNHZXLVWGH-SNVBAGLBSA-N 1 2 282.344 -1.564 20 0 CAADLO CNC(=O)C[NH+]1CC(CNC(=O)[C@@H]2CCNC(=O)CC2)C1 ZINC001031877663 656401875 /nfs/dbraw/zinc/40/18/75/656401875.db2.gz WILWCXAFEDZPIU-NSHDSACASA-N 1 2 296.371 -1.303 20 0 CAADLO Cc1nn[nH]c1C(=O)NCC1C[NH+](CC(=O)N(C)C)C1 ZINC001031890004 656402245 /nfs/dbraw/zinc/40/22/45/656402245.db2.gz BCYOGTHBDIIHFQ-UHFFFAOYSA-N 1 2 280.332 -1.137 20 0 CAADLO Cc1nn[nH]c1C(=O)NCC1C[NH+]([C@H](C)C(N)=O)C1 ZINC001031892002 656402450 /nfs/dbraw/zinc/40/24/50/656402450.db2.gz ILOLVQPLIAVHEN-SSDOTTSWSA-N 1 2 266.305 -1.351 20 0 CAADLO Cc1nn[nH]c1C(=O)NCC1C[NH+]([C@H]2CCNC2=O)C1 ZINC001031891053 656402458 /nfs/dbraw/zinc/40/24/58/656402458.db2.gz WATIXRRWIVOXCN-VIFPVBQESA-N 1 2 278.316 -1.337 20 0 CAADLO Cc1n[nH]c(=O)c(C(=O)NCC2C[NH+](CC(N)=O)C2)c1C ZINC001031891525 656402663 /nfs/dbraw/zinc/40/26/63/656402663.db2.gz QWGNNNLJAPKERZ-UHFFFAOYSA-N 1 2 293.327 -1.054 20 0 CAADLO Cc1nn[nH]c1C(=O)NCC1C[NH+](CC(N)=O)C1 ZINC001031890738 656402701 /nfs/dbraw/zinc/40/27/01/656402701.db2.gz LUCZRMCCOJLFGB-UHFFFAOYSA-N 1 2 252.278 -1.740 20 0 CAADLO CNC(=O)C[NH+]1CC(CNC(=O)[C@H]2CC[C@H]2C(N)=O)C1 ZINC001031896512 656402843 /nfs/dbraw/zinc/40/28/43/656402843.db2.gz HJPKDLCSZORWHD-ZJUUUORDSA-N 1 2 282.344 -1.708 20 0 CAADLO CNC(=O)C[NH+]1CC(CNC(=O)[C@@H]2CC[C@@H]2C(N)=O)C1 ZINC001031896511 656402948 /nfs/dbraw/zinc/40/29/48/656402948.db2.gz HJPKDLCSZORWHD-VHSXEESVSA-N 1 2 282.344 -1.708 20 0 CAADLO NC(=O)CC(=O)N1CCCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000940557999 656403017 /nfs/dbraw/zinc/40/30/17/656403017.db2.gz CFLOETSQGABBDR-UHFFFAOYSA-N 1 2 293.327 -1.112 20 0 CAADLO C[C@@H](C(N)=O)[NH+]1CC(CNC(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC001031897309 656403042 /nfs/dbraw/zinc/40/30/42/656403042.db2.gz PMLABMIDLFROTC-CBAPKCEASA-N 1 2 283.332 -2.068 20 0 CAADLO CN(C)C(=O)C[NH+]1CC(CNC(=O)[C@@H]2CC[C@H]2C(N)=O)C1 ZINC001031899584 656403055 /nfs/dbraw/zinc/40/30/55/656403055.db2.gz QWOKZSINKVXEJV-GHMZBOCLSA-N 1 2 296.371 -1.366 20 0 CAADLO NC(=O)CC(=O)N1CCCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000940550053 656403195 /nfs/dbraw/zinc/40/31/95/656403195.db2.gz QRRDESJKVHNABQ-UHFFFAOYSA-N 1 2 293.327 -1.112 20 0 CAADLO NC(=O)C[NH+]1CC(CNC(=O)[C@H]2CC[C@@H]2C(N)=O)C1 ZINC001031899163 656403214 /nfs/dbraw/zinc/40/32/14/656403214.db2.gz NMGPJGSGXUKGNM-IUCAKERBSA-N 1 2 268.317 -1.969 20 0 CAADLO NC(=O)C[NH+]1CC(CNC(=O)[C@@H]2CC[C@H]2C(N)=O)C1 ZINC001031899164 656403387 /nfs/dbraw/zinc/40/33/87/656403387.db2.gz NMGPJGSGXUKGNM-RKDXNWHRSA-N 1 2 268.317 -1.969 20 0 CAADLO CNC(=O)C[NH+]1CC(CNC(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC001031900517 656403745 /nfs/dbraw/zinc/40/37/45/656403745.db2.gz VNNPVAVDFRBWRN-SECBINFHSA-N 1 2 283.332 -2.196 20 0 CAADLO CN1C[C@@H](C(=O)NCC2C[NH+]([C@H]3CCNC3=O)C2)NC1=O ZINC001031902406 656403815 /nfs/dbraw/zinc/40/38/15/656403815.db2.gz MDMQGMOGZJSMCO-UWVGGRQHSA-N 1 2 295.343 -2.054 20 0 CAADLO NC(=O)C[NH+]1CC(CNC(=O)[C@H]2CCNC2=O)C1 ZINC001031899790 656403955 /nfs/dbraw/zinc/40/39/55/656403955.db2.gz GGVHGSQSYINXRU-QMMMGPOBSA-N 1 2 254.290 -2.344 20 0 CAADLO CN(C)C(=O)C[NH+]1CC(CNC(=O)[C@@H]2CCC(=O)N2C)C1 ZINC001031901860 656403993 /nfs/dbraw/zinc/40/39/93/656403993.db2.gz SZCFXLVOBKFKBU-NSHDSACASA-N 1 2 296.371 -1.257 20 0 CAADLO CN(C)C(=O)C[NH+]1CC(CNC(=O)[C@@H]2CCNC2=O)C1 ZINC001031900411 656404032 /nfs/dbraw/zinc/40/40/32/656404032.db2.gz RFBICAFEMHCSDP-SNVBAGLBSA-N 1 2 282.344 -1.741 20 0 CAADLO CN(C)C(=O)C[NH+]1CC(CNC(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC001031900874 656404194 /nfs/dbraw/zinc/40/41/94/656404194.db2.gz FWCXLJSKZPHUDJ-SNVBAGLBSA-N 1 2 297.359 -1.854 20 0 CAADLO Cn1nnc(C(=O)NCC2C[NH+]([C@H]3CCNC3=O)C2)n1 ZINC001031904915 656404396 /nfs/dbraw/zinc/40/43/96/656404396.db2.gz NVLVRHZRPNLBQE-QMMMGPOBSA-N 1 2 279.304 -2.240 20 0 CAADLO Cn1cc(C[NH+]2CC(CNC(=O)c3nnn(C)n3)C2)cn1 ZINC001031904407 656404440 /nfs/dbraw/zinc/40/44/40/656404440.db2.gz AHLXYGCFGWDPQC-UHFFFAOYSA-N 1 2 290.331 -1.195 20 0 CAADLO Cn1nnc(C(=O)NCC2C[NH+]([C@H]3CCN(C)C3=O)C2)n1 ZINC001031905957 656404494 /nfs/dbraw/zinc/40/44/94/656404494.db2.gz UJUJOTCYXNWVQD-VIFPVBQESA-N 1 2 293.331 -1.898 20 0 CAADLO C[C@@H](C(N)=O)[NH+]1CC(CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001031906713 656404583 /nfs/dbraw/zinc/40/45/83/656404583.db2.gz RPKOOAZFQFJRHM-CPOMMVLXSA-N 1 2 267.329 -1.199 20 0 CAADLO CNC(=O)C[NH+]1CC(CNC(=O)[C@@H]2CCC(=O)N2C)C1 ZINC001031901580 656404609 /nfs/dbraw/zinc/40/46/09/656404609.db2.gz FBLXOFXYTHDUEN-JTQLQIEISA-N 1 2 282.344 -1.599 20 0 CAADLO Cn1cncc1C[NH+]1CC(CNC(=O)c2nnn(C)n2)C1 ZINC001031904988 656404621 /nfs/dbraw/zinc/40/46/21/656404621.db2.gz RBEXRUNFAHVGKT-UHFFFAOYSA-N 1 2 290.331 -1.195 20 0 CAADLO C[C@@H](C(N)=O)[NH+]1CC(CNC(=O)c2nnn(C)n2)C1 ZINC001031904945 656404662 /nfs/dbraw/zinc/40/46/62/656404662.db2.gz PMMXTOVDLGDURR-LURJTMIESA-N 1 2 267.293 -2.255 20 0 CAADLO Cn1nnc(C(=O)NCC2C[NH+]([C@@H]3CCN(C)C3=O)C2)n1 ZINC001031905956 656404669 /nfs/dbraw/zinc/40/46/69/656404669.db2.gz UJUJOTCYXNWVQD-SECBINFHSA-N 1 2 293.331 -1.898 20 0 CAADLO C[C@@H]1CN(C(=O)C(N)=O)C[C@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC000940707067 656405083 /nfs/dbraw/zinc/40/50/83/656405083.db2.gz NGODZLNTEGUJBR-VXNVDRBHSA-N 1 2 279.300 -1.599 20 0 CAADLO Cc1nc[nH]c(=O)c1C(=O)NCC1C[NH+](CC(N)=O)C1 ZINC001031915753 656405300 /nfs/dbraw/zinc/40/53/00/656405300.db2.gz RPNJIXZCVOCPAE-UHFFFAOYSA-N 1 2 279.300 -1.362 20 0 CAADLO C[C@H](C(N)=O)[NH+]1CC(CNC(=O)[C@@H]2CCN(C)C2=O)C1 ZINC001031908663 656405369 /nfs/dbraw/zinc/40/53/69/656405369.db2.gz ZSYYWYBDIDAEIH-SCZZXKLOSA-N 1 2 282.344 -1.614 20 0 CAADLO CN(C)C(=O)C[NH+]1CC(CNC(=O)[C@H]2CCN(C)C2=O)C1 ZINC001031909699 656405623 /nfs/dbraw/zinc/40/56/23/656405623.db2.gz AUPJTKKDCKICQE-LLVKDONJSA-N 1 2 296.371 -1.399 20 0 CAADLO O=C(NCC1C[NH+]([C@H]2CCNC2=O)C1)[C@H]1[C@@H]2COC[C@@H]21 ZINC001031907826 656405728 /nfs/dbraw/zinc/40/57/28/656405728.db2.gz JAJZCEQREMXHHI-WHOHXGKFSA-N 1 2 279.340 -1.185 20 0 CAADLO NC(=O)C(=O)N1CCCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC000940891054 656405762 /nfs/dbraw/zinc/40/57/62/656405762.db2.gz NQDYYQHPPQROLO-UHFFFAOYSA-N 1 2 293.327 -1.112 20 0 CAADLO CN1CC[C@@H](C(=O)NCC2C[NH+]([C@H]3CCNC3=O)C2)C1=O ZINC001031911800 656405786 /nfs/dbraw/zinc/40/57/86/656405786.db2.gz DJJBZTJRKSGHMZ-QWRGUYRKSA-N 1 2 294.355 -1.599 20 0 CAADLO CNC(=O)C[NH+]1CC(CNC(=O)[C@@H]2CCN(C)C2=O)C1 ZINC001031910227 656406271 /nfs/dbraw/zinc/40/62/71/656406271.db2.gz JWXMATMRIFSSCI-JTQLQIEISA-N 1 2 282.344 -1.741 20 0 CAADLO C[C@H](C(N)=O)[NH+]1CC(CNC(=O)[C@H]2CCC(=O)N2C)C1 ZINC001031918400 656407088 /nfs/dbraw/zinc/40/70/88/656407088.db2.gz KIGFDZYSMPZIRA-PSASIEDQSA-N 1 2 282.344 -1.471 20 0 CAADLO CN1C(=O)CC[C@@H]1C(=O)NCC1C[NH+](CC(N)=O)C1 ZINC001031916875 656407357 /nfs/dbraw/zinc/40/73/57/656407357.db2.gz HZPFFPKUUHIFFR-SECBINFHSA-N 1 2 268.317 -1.860 20 0 CAADLO CC(C)N1C(=O)CC[C@H]1C(=O)NCC1C[NH+](CC(N)=O)C1 ZINC001031921678 656407619 /nfs/dbraw/zinc/40/76/19/656407619.db2.gz ZFTSWGLDMIIPQF-NSHDSACASA-N 1 2 296.371 -1.081 20 0 CAADLO Cc1ncc(C(=O)NCC2C[NH+](CC(N)=O)C2)n1C ZINC001031924007 656407666 /nfs/dbraw/zinc/40/76/66/656407666.db2.gz AWULRXYLWHJPGX-UHFFFAOYSA-N 1 2 265.317 -1.125 20 0 CAADLO CN(C)C(=O)C[NH+]1CC(CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001031940256 656408369 /nfs/dbraw/zinc/40/83/69/656408369.db2.gz QERJNTOEPJCBLN-SECBINFHSA-N 1 2 283.332 -2.196 20 0 CAADLO C[C@H](C(N)=O)[NH+]1CC(CNC(=O)c2c[nH]c(=O)cn2)C1 ZINC001031933706 656408581 /nfs/dbraw/zinc/40/85/81/656408581.db2.gz IPNUCLDDUMOCJO-SSDOTTSWSA-N 1 2 279.300 -1.695 20 0 CAADLO O=C(C[NH+]1CC(CNC(=O)[C@@H]2CNC(=O)N2)C1)NC1CC1 ZINC001031940726 656409410 /nfs/dbraw/zinc/40/94/10/656409410.db2.gz ZIPWIKHHVAIVNO-JTQLQIEISA-N 1 2 295.343 -2.006 20 0 CAADLO C[C@@H](C(N)=O)[NH+]1CC(CNC(=O)c2c[nH]c(=O)cn2)C1 ZINC001031933707 656409426 /nfs/dbraw/zinc/40/94/26/656409426.db2.gz IPNUCLDDUMOCJO-ZETCQYMHSA-N 1 2 279.300 -1.695 20 0 CAADLO O=C(NCC1C[NH+]([C@@H]2CCNC2=O)C1)[C@@H]1CNC(=O)N1 ZINC001031940383 656409993 /nfs/dbraw/zinc/40/99/93/656409993.db2.gz SOQBSOOEDMBJCC-DTWKUNHWSA-N 1 2 281.316 -2.396 20 0 CAADLO O=C(NCC1C[NH+]([C@@H]2CCNC2=O)C1)[C@H]1CNC(=O)N1 ZINC001031940388 656410718 /nfs/dbraw/zinc/41/07/18/656410718.db2.gz SOQBSOOEDMBJCC-RKDXNWHRSA-N 1 2 281.316 -2.396 20 0 CAADLO O=C(c1ccn[nH]1)N1CCN(C2C[NH+](CCO)C2)CC1 ZINC000941324230 656410879 /nfs/dbraw/zinc/41/08/79/656410879.db2.gz AODLGCCIWCUPHM-UHFFFAOYSA-N 1 2 279.344 -1.156 20 0 CAADLO Cn1nccc1C[NH+]1CC(CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001031944739 656412761 /nfs/dbraw/zinc/41/27/61/656412761.db2.gz DDEGPHPGYPMTJX-LLVKDONJSA-N 1 2 292.343 -1.351 20 0 CAADLO CNC(=O)C[NH+]1CC(CNC(=O)c2n[nH]cc2F)C1 ZINC001031955334 656414950 /nfs/dbraw/zinc/41/49/50/656414950.db2.gz WGJRDJWVQYRMQT-UHFFFAOYSA-N 1 2 269.280 -1.044 20 0 CAADLO CNC(=O)C[NH+]1CC(CNC(=O)c2cccc(=O)n2C)C1 ZINC001031965461 656415648 /nfs/dbraw/zinc/41/56/48/656415648.db2.gz JGQDQHYYSMDBRM-UHFFFAOYSA-N 1 2 292.339 -1.207 20 0 CAADLO C[C@@H](C(N)=O)[NH+]1CC(CNC(=O)c2cccc(=O)n2C)C1 ZINC001031965565 656416322 /nfs/dbraw/zinc/41/63/22/656416322.db2.gz KUCVMBQPVUZGNQ-VIFPVBQESA-N 1 2 292.339 -1.079 20 0 CAADLO NC(=O)C[NH+]1CC(CNC(=O)[C@@H]2CCCCC(=O)N2)C1 ZINC001031970759 656442989 /nfs/dbraw/zinc/44/29/89/656442989.db2.gz GFBGJLVMLQBIIQ-JTQLQIEISA-N 1 2 282.344 -1.422 20 0 CAADLO C[C@@H](C(N)=O)[NH+]1CC(CNC(=O)[C@@H]2CCCCC(=O)N2)C1 ZINC001031970630 656443226 /nfs/dbraw/zinc/44/32/26/656443226.db2.gz AMIAZXCGBRWFPH-ONGXEEELSA-N 1 2 296.371 -1.033 20 0 CAADLO CNC(=O)C[NH+]1CC(CNC(=O)c2cc(C(N)=O)co2)C1 ZINC001031970166 656443942 /nfs/dbraw/zinc/44/39/42/656443942.db2.gz OWOYIVRNGHSLBK-UHFFFAOYSA-N 1 2 294.311 -1.214 20 0 CAADLO C[C@H](C(N)=O)[NH+]1CC(CNC(=O)c2cc(C(N)=O)co2)C1 ZINC001031970323 656444579 /nfs/dbraw/zinc/44/45/79/656444579.db2.gz SETHFCJSEJCBAP-SSDOTTSWSA-N 1 2 294.311 -1.086 20 0 CAADLO CNC(=O)C[NH+]1CC(CNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001031972982 656445002 /nfs/dbraw/zinc/44/50/02/656445002.db2.gz QFJHGYLFWPUWTB-VHSXEESVSA-N 1 2 298.343 -2.187 20 0 CAADLO C[N@@H+]1CCO[C@H](C(=O)N2CC(NC(=O)c3cn[nH]n3)C2)C1 ZINC000995173409 656445203 /nfs/dbraw/zinc/44/52/03/656445203.db2.gz LGVCMONKCYPAGU-JTQLQIEISA-N 1 2 294.315 -1.924 20 0 CAADLO C[N@H+]1CCO[C@H](C(=O)N2CC(NC(=O)c3cn[nH]n3)C2)C1 ZINC000995173409 656445210 /nfs/dbraw/zinc/44/52/10/656445210.db2.gz LGVCMONKCYPAGU-JTQLQIEISA-N 1 2 294.315 -1.924 20 0 CAADLO C[N@@H+]1CCO[C@@H](C(=O)N2CC(NC(=O)c3cn[nH]n3)C2)C1 ZINC000995173410 656445262 /nfs/dbraw/zinc/44/52/62/656445262.db2.gz LGVCMONKCYPAGU-SNVBAGLBSA-N 1 2 294.315 -1.924 20 0 CAADLO C[N@H+]1CCO[C@@H](C(=O)N2CC(NC(=O)c3cn[nH]n3)C2)C1 ZINC000995173410 656445263 /nfs/dbraw/zinc/44/52/63/656445263.db2.gz LGVCMONKCYPAGU-SNVBAGLBSA-N 1 2 294.315 -1.924 20 0 CAADLO C[C@H](C(N)=O)[NH+]1CC(CNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001031973508 656445816 /nfs/dbraw/zinc/44/58/16/656445816.db2.gz KRSHMMMTUGPUKK-FKTZTGRPSA-N 1 2 298.343 -2.059 20 0 CAADLO CNC(=O)C[NH+]1CC(CNC(=O)[C@H]2C[C@H]2C(=O)N(C)C)C1 ZINC001031976816 656446663 /nfs/dbraw/zinc/44/66/63/656446663.db2.gz SUZUGFNCYRZGOH-WDEREUQCSA-N 1 2 296.371 -1.495 20 0 CAADLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCN(C(=O)CC(N)=O)C1 ZINC000941931082 656447454 /nfs/dbraw/zinc/44/74/54/656447454.db2.gz SBKRTDGVWBVMGB-SECBINFHSA-N 1 2 293.327 -1.147 20 0 CAADLO CNC(=O)C[NH+]1CC(CNC(=O)[C@H]2CC[C@@H](C(N)=O)C2)C1 ZINC001031980826 656448314 /nfs/dbraw/zinc/44/83/14/656448314.db2.gz FLIMOCVFZDRZNC-MNOVXSKESA-N 1 2 296.371 -1.318 20 0 CAADLO NC(=O)[C@@H]1C[C@@H]1C(=O)NCC1C[NH+](CC(=O)NC2CC2)C1 ZINC001031981569 656449239 /nfs/dbraw/zinc/44/92/39/656449239.db2.gz JOPVEOCUTQXWNT-MNOVXSKESA-N 1 2 294.355 -1.566 20 0 CAADLO COc1cc(=O)[nH]cc1C(=O)NCC1C[NH+](CC(N)=O)C1 ZINC001031984336 656450008 /nfs/dbraw/zinc/45/00/08/656450008.db2.gz HRBKMGMATSZREG-UHFFFAOYSA-N 1 2 294.311 -1.057 20 0 CAADLO CN(C)C(=O)C[NH+]1CC(CNC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001031981562 656450047 /nfs/dbraw/zinc/45/00/47/656450047.db2.gz JEMPPGGRCLYWSK-ZJUUUORDSA-N 1 2 282.344 -1.756 20 0 CAADLO Cc1nc(CC(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C[C@@H]2C)n[nH]1 ZINC000942034090 656451079 /nfs/dbraw/zinc/45/10/79/656451079.db2.gz SFFITBCEDRDJJY-WCBMZHEXSA-N 1 2 294.359 -1.032 20 0 CAADLO Cc1nc(CC(=O)N[C@@H]2CC[N@H+](CC(N)=O)C[C@@H]2C)n[nH]1 ZINC000942034090 656451095 /nfs/dbraw/zinc/45/10/95/656451095.db2.gz SFFITBCEDRDJJY-WCBMZHEXSA-N 1 2 294.359 -1.032 20 0 CAADLO Cc1nc(CC(=O)N[C@H]2CC[N@@H+](CC(N)=O)C[C@H]2C)n[nH]1 ZINC000942034089 656451294 /nfs/dbraw/zinc/45/12/94/656451294.db2.gz SFFITBCEDRDJJY-SCZZXKLOSA-N 1 2 294.359 -1.032 20 0 CAADLO Cc1nc(CC(=O)N[C@H]2CC[N@H+](CC(N)=O)C[C@H]2C)n[nH]1 ZINC000942034089 656451297 /nfs/dbraw/zinc/45/12/97/656451297.db2.gz SFFITBCEDRDJJY-SCZZXKLOSA-N 1 2 294.359 -1.032 20 0 CAADLO Cc1nc(CC(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C[C@H]2C)n[nH]1 ZINC000942034088 656451732 /nfs/dbraw/zinc/45/17/32/656451732.db2.gz SFFITBCEDRDJJY-PSASIEDQSA-N 1 2 294.359 -1.032 20 0 CAADLO Cc1nc(CC(=O)N[C@@H]2CC[N@H+](CC(N)=O)C[C@H]2C)n[nH]1 ZINC000942034088 656451741 /nfs/dbraw/zinc/45/17/41/656451741.db2.gz SFFITBCEDRDJJY-PSASIEDQSA-N 1 2 294.359 -1.032 20 0 CAADLO Cc1nc(CC(=O)N[C@H]2CC[N@@H+](CC(N)=O)C[C@@H]2C)n[nH]1 ZINC000942034091 656451865 /nfs/dbraw/zinc/45/18/65/656451865.db2.gz SFFITBCEDRDJJY-WPRPVWTQSA-N 1 2 294.359 -1.032 20 0 CAADLO Cc1nc(CC(=O)N[C@H]2CC[N@H+](CC(N)=O)C[C@@H]2C)n[nH]1 ZINC000942034091 656451877 /nfs/dbraw/zinc/45/18/77/656451877.db2.gz SFFITBCEDRDJJY-WPRPVWTQSA-N 1 2 294.359 -1.032 20 0 CAADLO C[C@@H]1C[N@H+](CC(N)=O)CC[C@@H]1NC(=O)c1cn[nH]n1 ZINC000942215890 656454537 /nfs/dbraw/zinc/45/45/37/656454537.db2.gz HWJKCWGJJBVTAU-SFYZADRCSA-N 1 2 266.305 -1.270 20 0 CAADLO C[C@@H]1C[N@@H+](CC(N)=O)CC[C@@H]1NC(=O)c1cn[nH]n1 ZINC000942215890 656454540 /nfs/dbraw/zinc/45/45/40/656454540.db2.gz HWJKCWGJJBVTAU-SFYZADRCSA-N 1 2 266.305 -1.270 20 0 CAADLO C[C@@H]1C[N@H+](CC(N)=O)CC[C@@H]1NC(=O)c1cnn[nH]1 ZINC000942215890 656454544 /nfs/dbraw/zinc/45/45/44/656454544.db2.gz HWJKCWGJJBVTAU-SFYZADRCSA-N 1 2 266.305 -1.270 20 0 CAADLO C[C@@H]1C[N@@H+](CC(N)=O)CC[C@@H]1NC(=O)c1cnn[nH]1 ZINC000942215890 656454545 /nfs/dbraw/zinc/45/45/45/656454545.db2.gz HWJKCWGJJBVTAU-SFYZADRCSA-N 1 2 266.305 -1.270 20 0 CAADLO C[C@H]1C[N@H+](CC(N)=O)CC[C@H]1NC(=O)c1cn[nH]n1 ZINC000942215889 656454611 /nfs/dbraw/zinc/45/46/11/656454611.db2.gz HWJKCWGJJBVTAU-JGVFFNPUSA-N 1 2 266.305 -1.270 20 0 CAADLO C[C@H]1C[N@@H+](CC(N)=O)CC[C@H]1NC(=O)c1cn[nH]n1 ZINC000942215889 656454616 /nfs/dbraw/zinc/45/46/16/656454616.db2.gz HWJKCWGJJBVTAU-JGVFFNPUSA-N 1 2 266.305 -1.270 20 0 CAADLO C[C@H]1C[N@H+](CC(N)=O)CC[C@H]1NC(=O)c1cnn[nH]1 ZINC000942215889 656454623 /nfs/dbraw/zinc/45/46/23/656454623.db2.gz HWJKCWGJJBVTAU-JGVFFNPUSA-N 1 2 266.305 -1.270 20 0 CAADLO C[C@H]1C[N@@H+](CC(N)=O)CC[C@H]1NC(=O)c1cnn[nH]1 ZINC000942215889 656454627 /nfs/dbraw/zinc/45/46/27/656454627.db2.gz HWJKCWGJJBVTAU-JGVFFNPUSA-N 1 2 266.305 -1.270 20 0 CAADLO CNC(=O)C[NH+]1CC(CNC(=O)c2ccnnc2)C1 ZINC001032003629 656454644 /nfs/dbraw/zinc/45/46/44/656454644.db2.gz AXJUOYXCJXJETB-UHFFFAOYSA-N 1 2 263.301 -1.116 20 0 CAADLO C[C@@H]1C[N@H+](CC(N)=O)CC[C@H]1NC(=O)c1cn[nH]n1 ZINC000942215888 656454860 /nfs/dbraw/zinc/45/48/60/656454860.db2.gz HWJKCWGJJBVTAU-HTQZYQBOSA-N 1 2 266.305 -1.270 20 0 CAADLO C[C@@H]1C[N@@H+](CC(N)=O)CC[C@H]1NC(=O)c1cn[nH]n1 ZINC000942215888 656454861 /nfs/dbraw/zinc/45/48/61/656454861.db2.gz HWJKCWGJJBVTAU-HTQZYQBOSA-N 1 2 266.305 -1.270 20 0 CAADLO C[C@@H]1C[N@H+](CC(N)=O)CC[C@H]1NC(=O)c1cnn[nH]1 ZINC000942215888 656454864 /nfs/dbraw/zinc/45/48/64/656454864.db2.gz HWJKCWGJJBVTAU-HTQZYQBOSA-N 1 2 266.305 -1.270 20 0 CAADLO C[C@@H]1C[N@@H+](CC(N)=O)CC[C@H]1NC(=O)c1cnn[nH]1 ZINC000942215888 656454865 /nfs/dbraw/zinc/45/48/65/656454865.db2.gz HWJKCWGJJBVTAU-HTQZYQBOSA-N 1 2 266.305 -1.270 20 0 CAADLO Cn1c[nH+]cc1CC(=O)N1CC[C@@H](NC(=O)C(N)=O)C1 ZINC000942301936 656455607 /nfs/dbraw/zinc/45/56/07/656455607.db2.gz DVYWZUDAEBYLCD-MRVPVSSYSA-N 1 2 279.300 -1.835 20 0 CAADLO NC(=O)C(=O)N[C@@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000942304644 656456438 /nfs/dbraw/zinc/45/64/38/656456438.db2.gz LHLZBYZUMCKSRC-MRVPVSSYSA-N 1 2 279.300 -1.455 20 0 CAADLO NC(=O)C(=O)N[C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC000942308455 656457455 /nfs/dbraw/zinc/45/74/55/656457455.db2.gz VGMUWRUSKJEKGK-SECBINFHSA-N 1 2 279.300 -1.524 20 0 CAADLO O=C(N[C@@H]1CC[N@H+](CCN2CCNC2=O)C1)c1nnc[nH]1 ZINC001015872072 656458383 /nfs/dbraw/zinc/45/83/83/656458383.db2.gz ZECHNAAEQLOFKJ-SECBINFHSA-N 1 2 293.331 -1.366 20 0 CAADLO O=C(N[C@@H]1CC[N@@H+](CCN2CCNC2=O)C1)c1nnc[nH]1 ZINC001015872072 656458387 /nfs/dbraw/zinc/45/83/87/656458387.db2.gz ZECHNAAEQLOFKJ-SECBINFHSA-N 1 2 293.331 -1.366 20 0 CAADLO O=C(N[C@@H]1CC[N@H+](CCN2CCNC2=O)C1)c1ncn[nH]1 ZINC001015872072 656458392 /nfs/dbraw/zinc/45/83/92/656458392.db2.gz ZECHNAAEQLOFKJ-SECBINFHSA-N 1 2 293.331 -1.366 20 0 CAADLO O=C(N[C@@H]1CC[N@@H+](CCN2CCNC2=O)C1)c1ncn[nH]1 ZINC001015872072 656458397 /nfs/dbraw/zinc/45/83/97/656458397.db2.gz ZECHNAAEQLOFKJ-SECBINFHSA-N 1 2 293.331 -1.366 20 0 CAADLO NC(=O)C(=O)N[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000942309363 656458892 /nfs/dbraw/zinc/45/88/92/656458892.db2.gz AHGKEQOJRGKZFB-IWSPIJDZSA-N 1 2 291.311 -1.284 20 0 CAADLO NC(=O)C(=O)N[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC000942309363 656458894 /nfs/dbraw/zinc/45/88/94/656458894.db2.gz AHGKEQOJRGKZFB-IWSPIJDZSA-N 1 2 291.311 -1.284 20 0 CAADLO O=C(NCC1C[NH+](CCF)C1)[C@@H]1CC(=O)NC(=O)N1 ZINC001032013815 656459224 /nfs/dbraw/zinc/45/92/24/656459224.db2.gz MUGXEIDSXTYZPL-QMMMGPOBSA-N 1 2 272.280 -1.398 20 0 CAADLO NC(=O)C[NH+]1CC(CNC(=O)[C@H]2CCC[C@H](C(N)=O)C2)C1 ZINC001032020927 656459977 /nfs/dbraw/zinc/45/99/77/656459977.db2.gz ZFKOWHSQFCCQIH-QWRGUYRKSA-N 1 2 296.371 -1.189 20 0 CAADLO COc1c(C(=O)NCC2C[NH+](CC(N)=O)C2)c(C)nn1C ZINC001032021233 656460010 /nfs/dbraw/zinc/46/00/10/656460010.db2.gz LXTYGECGEGHKQB-UHFFFAOYSA-N 1 2 295.343 -1.116 20 0 CAADLO CNC(=O)C[NH+]1CC(CNC(=O)c2cncc(OC)n2)C1 ZINC001032029228 656460066 /nfs/dbraw/zinc/46/00/66/656460066.db2.gz TYSPGYFDTPIDHJ-UHFFFAOYSA-N 1 2 293.327 -1.107 20 0 CAADLO O=C(NCC1C[NH+](CCO)C1)[C@@H]1CCCS(=O)(=O)C1 ZINC001032022698 656460574 /nfs/dbraw/zinc/46/05/74/656460574.db2.gz NBJDJEQGDKNIQH-LLVKDONJSA-N 1 2 290.385 -1.149 20 0 CAADLO C[C@H]1C[N@H+](Cc2ncnn2C)CC[C@@H]1NC(=O)C(N)=O ZINC000942590782 656461212 /nfs/dbraw/zinc/46/12/12/656461212.db2.gz AGPNMMROUURUBX-IUCAKERBSA-N 1 2 280.332 -1.373 20 0 CAADLO C[C@H]1C[N@@H+](Cc2ncnn2C)CC[C@@H]1NC(=O)C(N)=O ZINC000942590782 656461215 /nfs/dbraw/zinc/46/12/15/656461215.db2.gz AGPNMMROUURUBX-IUCAKERBSA-N 1 2 280.332 -1.373 20 0 CAADLO C[C@H]1C[N@H+](Cc2cnn(C)n2)CC[C@@H]1NC(=O)C(N)=O ZINC000942592587 656461715 /nfs/dbraw/zinc/46/17/15/656461715.db2.gz ZRRXQSPVIHUPPH-WPRPVWTQSA-N 1 2 280.332 -1.373 20 0 CAADLO C[C@H]1C[N@@H+](Cc2cnn(C)n2)CC[C@@H]1NC(=O)C(N)=O ZINC000942592587 656461717 /nfs/dbraw/zinc/46/17/17/656461717.db2.gz ZRRXQSPVIHUPPH-WPRPVWTQSA-N 1 2 280.332 -1.373 20 0 CAADLO Cn1ncc(C(=O)NCC2C[NH+]([C@H]3CCNC3=O)C2)n1 ZINC001032051222 656462201 /nfs/dbraw/zinc/46/22/01/656462201.db2.gz YNEMVYPZJWNNKV-JTQLQIEISA-N 1 2 278.316 -1.635 20 0 CAADLO C[C@H](C(N)=O)[NH+]1CC(CNC(=O)c2cnn(C)n2)C1 ZINC001032048925 656462558 /nfs/dbraw/zinc/46/25/58/656462558.db2.gz MWUZEUMIJOCQDP-SSDOTTSWSA-N 1 2 266.305 -1.650 20 0 CAADLO CN(C)C(=O)C[NH+]1CC(CNC(=O)c2cnn(C)n2)C1 ZINC001032050742 656462571 /nfs/dbraw/zinc/46/25/71/656462571.db2.gz GRDZKUIHWJOYLW-UHFFFAOYSA-N 1 2 280.332 -1.435 20 0 CAADLO C[C@@H](C(N)=O)[NH+]1CC(CNC(=O)c2cnn(C)n2)C1 ZINC001032048926 656462723 /nfs/dbraw/zinc/46/27/23/656462723.db2.gz MWUZEUMIJOCQDP-ZETCQYMHSA-N 1 2 266.305 -1.650 20 0 CAADLO Cn1ncc(C(=O)NCC2C[NH+](CC(=O)N3CCC3)C2)n1 ZINC001032048449 656462744 /nfs/dbraw/zinc/46/27/44/656462744.db2.gz WAJQPXDEAQWRDX-UHFFFAOYSA-N 1 2 292.343 -1.291 20 0 CAADLO CCn1nc(C(=O)NCC2C[NH+](CC(N)=O)C2)ccc1=O ZINC001032058475 656463146 /nfs/dbraw/zinc/46/31/46/656463146.db2.gz FEALYKIXKAOSDO-UHFFFAOYSA-N 1 2 293.327 -1.590 20 0 CAADLO CNC(=O)C[NH+]1CC(CNC(=O)c2ccncn2)C1 ZINC001032059615 656463210 /nfs/dbraw/zinc/46/32/10/656463210.db2.gz KRWHAEXZDQRDMR-UHFFFAOYSA-N 1 2 263.301 -1.116 20 0 CAADLO CN1CC[C@@H]([NH+]2CC(CNC(=O)c3cnon3)C2)C1=O ZINC001032063321 656463223 /nfs/dbraw/zinc/46/32/23/656463223.db2.gz UZTYKKZDCIEPRW-SNVBAGLBSA-N 1 2 279.300 -1.038 20 0 CAADLO O=C(NCC1C[NH+]([C@@H]2CCC(=O)NC2=O)C1)c1cnon1 ZINC001032063332 656463266 /nfs/dbraw/zinc/46/32/66/656463266.db2.gz VQEUZCOHCUBEOS-SECBINFHSA-N 1 2 293.283 -1.464 20 0 CAADLO CNC(=O)[C@@H](C)[NH+]1CC(CNC(=O)c2cnon2)C1 ZINC001032063345 656463271 /nfs/dbraw/zinc/46/32/71/656463271.db2.gz WAXTYUCRVDJVBJ-SSDOTTSWSA-N 1 2 267.289 -1.134 20 0 CAADLO CN(C)C(=O)C[NH+]1CC(CNC(=O)c2cnon2)C1 ZINC001032063031 656463300 /nfs/dbraw/zinc/46/33/00/656463300.db2.gz NOYBYRUPZJTPKA-UHFFFAOYSA-N 1 2 267.289 -1.181 20 0 CAADLO C[C@H]1OCC[C@H]1C(=O)NCC1C[NH+](CC(N)=O)C1 ZINC001032073587 656463605 /nfs/dbraw/zinc/46/36/05/656463605.db2.gz DPHULQCDSWIXFL-PSASIEDQSA-N 1 2 255.318 -1.055 20 0 CAADLO C[C@H](C(N)=O)[NH+]1CC(CNC(=O)c2cnon2)C1 ZINC001032063033 656463625 /nfs/dbraw/zinc/46/36/25/656463625.db2.gz NRCZLQVAOWKXHY-ZCFIWIBFSA-N 1 2 253.262 -1.395 20 0 CAADLO O=C(NCC1C[NH+](CCN2CCNC2=O)C1)c1nnc[nH]1 ZINC001032058324 656463642 /nfs/dbraw/zinc/46/36/42/656463642.db2.gz SXAXAHRHULMFLP-UHFFFAOYSA-N 1 2 293.331 -1.509 20 0 CAADLO O=C(NCC1C[NH+](CCN2CCNC2=O)C1)c1ncn[nH]1 ZINC001032058324 656463644 /nfs/dbraw/zinc/46/36/44/656463644.db2.gz SXAXAHRHULMFLP-UHFFFAOYSA-N 1 2 293.331 -1.509 20 0 CAADLO CNC(=O)C[NH+]1CC(CNC(=O)c2ncccn2)C1 ZINC001032064787 656463707 /nfs/dbraw/zinc/46/37/07/656463707.db2.gz FDEQGSFCOIJILV-UHFFFAOYSA-N 1 2 263.301 -1.116 20 0 CAADLO O=C(NCC1C[NH+]([C@H]2CCC(=O)NC2=O)C1)c1cnon1 ZINC001032063333 656463811 /nfs/dbraw/zinc/46/38/11/656463811.db2.gz VQEUZCOHCUBEOS-VIFPVBQESA-N 1 2 293.283 -1.464 20 0 CAADLO NC(=O)C(=O)N[C@@H]1CCCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000943487047 656464446 /nfs/dbraw/zinc/46/44/46/656464446.db2.gz MATICXPANWNRDC-SECBINFHSA-N 1 2 293.327 -1.065 20 0 CAADLO NC(=O)C(=O)N[C@H]1CCCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000943492655 656464489 /nfs/dbraw/zinc/46/44/89/656464489.db2.gz MQTCPLVKIMSLDL-JTQLQIEISA-N 1 2 293.327 -1.134 20 0 CAADLO COc1ncc(C(=O)NCC2C[NH+](CC(N)=O)C2)cn1 ZINC001032099686 656464863 /nfs/dbraw/zinc/46/48/63/656464863.db2.gz OKLWBRXPXRENGG-UHFFFAOYSA-N 1 2 279.300 -1.368 20 0 CAADLO C[C@@H]1C[N@H+](CC(N)=O)CC[C@H]1NC(=O)c1nnc[nH]1 ZINC000943702580 656464901 /nfs/dbraw/zinc/46/49/01/656464901.db2.gz OYPLPGJUCZNZII-HTQZYQBOSA-N 1 2 266.305 -1.270 20 0 CAADLO C[C@@H]1C[N@@H+](CC(N)=O)CC[C@H]1NC(=O)c1nnc[nH]1 ZINC000943702580 656464903 /nfs/dbraw/zinc/46/49/03/656464903.db2.gz OYPLPGJUCZNZII-HTQZYQBOSA-N 1 2 266.305 -1.270 20 0 CAADLO C[C@@H]1C[N@H+](CC(N)=O)CC[C@H]1NC(=O)c1ncn[nH]1 ZINC000943702580 656464908 /nfs/dbraw/zinc/46/49/08/656464908.db2.gz OYPLPGJUCZNZII-HTQZYQBOSA-N 1 2 266.305 -1.270 20 0 CAADLO C[C@@H]1C[N@@H+](CC(N)=O)CC[C@H]1NC(=O)c1ncn[nH]1 ZINC000943702580 656464910 /nfs/dbraw/zinc/46/49/10/656464910.db2.gz OYPLPGJUCZNZII-HTQZYQBOSA-N 1 2 266.305 -1.270 20 0 CAADLO NC(=O)C(=O)N[C@H]1CC[C@H](NC(=O)Cn2cc[nH+]c2)CC1 ZINC000943732042 656464926 /nfs/dbraw/zinc/46/49/26/656464926.db2.gz CSTHSKBDMXMIQE-MGCOHNPYSA-N 1 2 293.327 -1.088 20 0 CAADLO C#CCN1CCN(C(=O)C[N@H+]2CCC[C@@H]2C(=O)NC)CC1 ZINC000081668441 656465151 /nfs/dbraw/zinc/46/51/51/656465151.db2.gz VOKNVVRUXGZCMK-CYBMUJFWSA-N 1 2 292.383 -1.026 20 0 CAADLO C#CCN1CCN(C(=O)C[N@@H+]2CCC[C@@H]2C(=O)NC)CC1 ZINC000081668441 656465154 /nfs/dbraw/zinc/46/51/54/656465154.db2.gz VOKNVVRUXGZCMK-CYBMUJFWSA-N 1 2 292.383 -1.026 20 0 CAADLO C[C@@H]1C[N@H+](CC(N)=O)CC[C@@H]1NC(=O)c1nnc[nH]1 ZINC000943702583 656465168 /nfs/dbraw/zinc/46/51/68/656465168.db2.gz OYPLPGJUCZNZII-SFYZADRCSA-N 1 2 266.305 -1.270 20 0 CAADLO C[C@@H]1C[N@@H+](CC(N)=O)CC[C@@H]1NC(=O)c1nnc[nH]1 ZINC000943702583 656465171 /nfs/dbraw/zinc/46/51/71/656465171.db2.gz OYPLPGJUCZNZII-SFYZADRCSA-N 1 2 266.305 -1.270 20 0 CAADLO C[C@@H]1C[N@H+](CC(N)=O)CC[C@@H]1NC(=O)c1ncn[nH]1 ZINC000943702583 656465176 /nfs/dbraw/zinc/46/51/76/656465176.db2.gz OYPLPGJUCZNZII-SFYZADRCSA-N 1 2 266.305 -1.270 20 0 CAADLO C[C@@H]1C[N@@H+](CC(N)=O)CC[C@@H]1NC(=O)c1ncn[nH]1 ZINC000943702583 656465179 /nfs/dbraw/zinc/46/51/79/656465179.db2.gz OYPLPGJUCZNZII-SFYZADRCSA-N 1 2 266.305 -1.270 20 0 CAADLO NC(=O)C(=O)N1CCCC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC000943570001 656465352 /nfs/dbraw/zinc/46/53/52/656465352.db2.gz IMMNRBQEAJVGHI-SECBINFHSA-N 1 2 293.327 -1.065 20 0 CAADLO CNC(=O)C[NH+]1CC(CNC(=O)c2cnc(OC)nc2)C1 ZINC001032099770 656465413 /nfs/dbraw/zinc/46/54/13/656465413.db2.gz RKCNRKJURJXHFG-UHFFFAOYSA-N 1 2 293.327 -1.107 20 0 CAADLO NC(=O)C(=O)N1CCCC[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC000943570002 656465513 /nfs/dbraw/zinc/46/55/13/656465513.db2.gz IMMNRBQEAJVGHI-VIFPVBQESA-N 1 2 293.327 -1.065 20 0 CAADLO CN1CCCC[C@H](C(=O)NCC2C[NH+](CC(N)=O)C2)C1=O ZINC001032125967 656465739 /nfs/dbraw/zinc/46/57/39/656465739.db2.gz UTHLCOXMUIPCAD-LLVKDONJSA-N 1 2 296.371 -1.222 20 0 CAADLO NC(=O)C[NH+]1CC(CNC(=O)[C@H]2C[C@@]23CCOC3)C1 ZINC001032117599 656465947 /nfs/dbraw/zinc/46/59/47/656465947.db2.gz YSMATYBFWWFVFD-ZWNOBZJWSA-N 1 2 267.329 -1.054 20 0 CAADLO NC(=O)C[NH+]1CC(CNC(=O)[C@@H]2C[C@@]23CCOC3)C1 ZINC001032117569 656466006 /nfs/dbraw/zinc/46/60/06/656466006.db2.gz YSMATYBFWWFVFD-GXFFZTMASA-N 1 2 267.329 -1.054 20 0 CAADLO NC(=O)C[NH+]1CC(CNC(=O)[C@@H]2CCCCN2C(N)=O)C1 ZINC001032119665 656466050 /nfs/dbraw/zinc/46/60/50/656466050.db2.gz YBDXJFSZCYZRAM-JTQLQIEISA-N 1 2 297.359 -1.547 20 0 CAADLO CN1CCCC[C@@H](C(=O)NCC2C[NH+](CC(N)=O)C2)C1=O ZINC001032125968 656466428 /nfs/dbraw/zinc/46/64/28/656466428.db2.gz UTHLCOXMUIPCAD-NSHDSACASA-N 1 2 296.371 -1.222 20 0 CAADLO O=C(C[NH+]1CC(CNC(=O)[C@@H]2CCC(=O)N2)C1)N1CCC1 ZINC001032138183 656466803 /nfs/dbraw/zinc/46/68/03/656466803.db2.gz PKISFZFVBKOQRP-NSHDSACASA-N 1 2 294.355 -1.455 20 0 CAADLO CC(=O)N1CC[C@@H](C(=O)NCC2C[NH+]([C@H](C)C(N)=O)C2)C1 ZINC001032156802 656466893 /nfs/dbraw/zinc/46/68/93/656466893.db2.gz ZIZWECUTDMVUKS-BXKDBHETSA-N 1 2 296.371 -1.223 20 0 CAADLO CN(C)c1ccc(C(=O)NCC2C[NH+](CC(N)=O)C2)nn1 ZINC001032135282 656466904 /nfs/dbraw/zinc/46/69/04/656466904.db2.gz ZFPLZSRKPCOYCO-UHFFFAOYSA-N 1 2 292.343 -1.311 20 0 CAADLO CN1C(=O)CCC[C@H]1C(=O)NCC1C[NH+](CC(N)=O)C1 ZINC001032160629 656467069 /nfs/dbraw/zinc/46/70/69/656467069.db2.gz DAWYKCOLCVCWBA-JTQLQIEISA-N 1 2 282.344 -1.469 20 0 CAADLO CC(=O)N1CC[C@H](C(=O)NCC2C[NH+]([C@@H](C)C(N)=O)C2)C1 ZINC001032156803 656467228 /nfs/dbraw/zinc/46/72/28/656467228.db2.gz ZIZWECUTDMVUKS-CABZTGNLSA-N 1 2 296.371 -1.223 20 0 CAADLO NC(=O)C[NH+]1CC(CNC(=O)c2cnn3cc[nH]c23)C1 ZINC001032153520 656467275 /nfs/dbraw/zinc/46/72/75/656467275.db2.gz RHNOHPPTIRHWDP-UHFFFAOYSA-N 1 2 276.300 -1.191 20 0 CAADLO CNC(=O)C[NH+]1CC(CNC(=O)c2cccn(C)c2=O)C1 ZINC001032135277 656467293 /nfs/dbraw/zinc/46/72/93/656467293.db2.gz YZOXHHAGBJXDRV-UHFFFAOYSA-N 1 2 292.339 -1.207 20 0 CAADLO O=C(NCC1C[NH+]([C@H]2CCNC2=O)C1)[C@@H]1CCC(=O)N1 ZINC001032138198 656467502 /nfs/dbraw/zinc/46/75/02/656467502.db2.gz PZTZWQJCECSRJO-UWVGGRQHSA-N 1 2 280.328 -1.799 20 0 CAADLO CC(=O)N1CCO[C@@H](C(=O)NCC2C[NH+](CC(N)=O)C2)C1 ZINC001032164139 656467605 /nfs/dbraw/zinc/46/76/05/656467605.db2.gz SXWSKMQTZJXBFI-LLVKDONJSA-N 1 2 298.343 -2.233 20 0 CAADLO C[C@@H](C(N)=O)[NH+]1CC(CNC(=O)[C@H]2CCCC(=O)N2C)C1 ZINC001032160814 656468028 /nfs/dbraw/zinc/46/80/28/656468028.db2.gz IMWDAPWXOIKCSA-GXSJLCMTSA-N 1 2 296.371 -1.081 20 0 CAADLO CC(=O)N1CCC(C(=O)NCC2C[NH+](CC(N)=O)C2)CC1 ZINC001032176013 656468276 /nfs/dbraw/zinc/46/82/76/656468276.db2.gz JLUOEOJTNUXQPF-UHFFFAOYSA-N 1 2 296.371 -1.222 20 0 CAADLO NC(=O)C[NH+]1CC(CNC(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001032194793 656469850 /nfs/dbraw/zinc/46/98/50/656469850.db2.gz WDIZYPRRKBGUKW-QMMMGPOBSA-N 1 2 290.345 -2.789 20 0 CAADLO C[C@H](O)C[NH+]1CC(CNC(=O)[C@H]2CCCS2(=O)=O)C1 ZINC001032198488 656469935 /nfs/dbraw/zinc/46/99/35/656469935.db2.gz MOVUJDDKWBKLCQ-GXSJLCMTSA-N 1 2 290.385 -1.008 20 0 CAADLO C[C@H](O)C[NH+]1CC(CNC(=O)[C@@H]2CCCS2(=O)=O)C1 ZINC001032198491 656469985 /nfs/dbraw/zinc/46/99/85/656469985.db2.gz MOVUJDDKWBKLCQ-ONGXEEELSA-N 1 2 290.385 -1.008 20 0 CAADLO O=C(NCC1C[NH+](CCCO)C1)[C@@H]1CCCS1(=O)=O ZINC001032197500 656470006 /nfs/dbraw/zinc/47/00/06/656470006.db2.gz MCHNKXFSJILOTI-NSHDSACASA-N 1 2 290.385 -1.006 20 0 CAADLO CC(=O)N1CCOC[C@H]1C(=O)NCC1C[NH+](CC(N)=O)C1 ZINC001032195968 656470197 /nfs/dbraw/zinc/47/01/97/656470197.db2.gz IVETYJRIKBUEIR-NSHDSACASA-N 1 2 298.343 -2.233 20 0 CAADLO C[C@@H](O)C[NH+]1CC(CNC(=O)[C@H]2CCCS2(=O)=O)C1 ZINC001032198490 656470302 /nfs/dbraw/zinc/47/03/02/656470302.db2.gz MOVUJDDKWBKLCQ-MWLCHTKSSA-N 1 2 290.385 -1.008 20 0 CAADLO O=C(NCC1C[NH+](CCO)C1)[C@@H]1CCCS1(=O)=O ZINC001032196724 656470628 /nfs/dbraw/zinc/47/06/28/656470628.db2.gz ASKMLWIDAWNWPZ-JTQLQIEISA-N 1 2 276.358 -1.396 20 0 CAADLO CNC(=O)C[NH+]1CC(CNC(=O)[C@H]2CCCN2C(C)=O)C1 ZINC001032210960 656472623 /nfs/dbraw/zinc/47/26/23/656472623.db2.gz VFBPQXGUKUHGTK-GFCCVEGCSA-N 1 2 296.371 -1.209 20 0 CAADLO C[C@@H](C(N)=O)[NH+]1CC(CNC(=O)[C@@H]2CCC(=O)N(C)C2)C1 ZINC001032209555 656472667 /nfs/dbraw/zinc/47/26/67/656472667.db2.gz QGFWXDREUVJKRB-GXSJLCMTSA-N 1 2 296.371 -1.223 20 0 CAADLO CN1C[C@@H](C(=O)NCC2C[NH+](CC(N)=O)C2)CCC1=O ZINC001032208780 656472763 /nfs/dbraw/zinc/47/27/63/656472763.db2.gz FHGMIJKDHZMZFS-JTQLQIEISA-N 1 2 282.344 -1.612 20 0 CAADLO CN1C[C@H](C(=O)NCC2C[NH+](CC(N)=O)C2)CCC1=O ZINC001032208781 656472985 /nfs/dbraw/zinc/47/29/85/656472985.db2.gz FHGMIJKDHZMZFS-SNVBAGLBSA-N 1 2 282.344 -1.612 20 0 CAADLO CC(=O)N1CCC[C@@H]1C(=O)NCC1C[NH+]([C@H](C)C(N)=O)C1 ZINC001032212957 656473164 /nfs/dbraw/zinc/47/31/64/656473164.db2.gz UOUYAUYGUGDIMK-BXKDBHETSA-N 1 2 296.371 -1.081 20 0 CAADLO NC(=O)C[NH+]1CC(CNC(=O)c2cc(C(N)=O)ccn2)C1 ZINC001032234394 656475331 /nfs/dbraw/zinc/47/53/31/656475331.db2.gz QKLREAHYPOZZJA-UHFFFAOYSA-N 1 2 291.311 -1.673 20 0 CAADLO Cc1nonc1C(=O)NCC1C[NH+]([C@@H](C)C(N)=O)C1 ZINC001032225491 656475374 /nfs/dbraw/zinc/47/53/74/656475374.db2.gz FNKJETZHAWMJND-ZETCQYMHSA-N 1 2 267.289 -1.087 20 0 CAADLO CNC(=O)C[NH+]1CC(CNC(=O)c2nonc2C)C1 ZINC001032223768 656475603 /nfs/dbraw/zinc/47/56/03/656475603.db2.gz DRKJTBYAPOONHM-UHFFFAOYSA-N 1 2 267.289 -1.214 20 0 CAADLO Cc1nc[nH]c1C(=O)NCC1C[NH+](CC(N)=O)C1 ZINC001032231654 656475651 /nfs/dbraw/zinc/47/56/51/656475651.db2.gz OUQKOEWVEJBKRV-UHFFFAOYSA-N 1 2 251.290 -1.135 20 0 CAADLO Cc1nonc1C(=O)NCC1C[NH+]([C@@H]2CCNC2=O)C1 ZINC001032224944 656475970 /nfs/dbraw/zinc/47/59/70/656475970.db2.gz TVVMELOCDCCJKE-SECBINFHSA-N 1 2 279.300 -1.072 20 0 CAADLO C[C@H]1CN(C(=O)Cn2cc[nH+]c2)CC[C@H]1NC(=O)C(N)=O ZINC000945384461 656477260 /nfs/dbraw/zinc/47/72/60/656477260.db2.gz LFZUNMYYWZHFRU-VHSXEESVSA-N 1 2 293.327 -1.278 20 0 CAADLO C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)CC[C@@H]1NC(=O)C(N)=O ZINC000945384462 656477507 /nfs/dbraw/zinc/47/75/07/656477507.db2.gz LFZUNMYYWZHFRU-ZJUUUORDSA-N 1 2 293.327 -1.278 20 0 CAADLO C[C@@H]1CN(C(=O)C(N)=O)CC[C@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC000945487154 656479654 /nfs/dbraw/zinc/47/96/54/656479654.db2.gz QNLPJKDBCNHVDP-RKDXNWHRSA-N 1 2 293.327 -1.209 20 0 CAADLO C[C@H]1CN(C(=O)C(N)=O)CC[C@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC000945487151 656479785 /nfs/dbraw/zinc/47/97/85/656479785.db2.gz QNLPJKDBCNHVDP-DTWKUNHWSA-N 1 2 293.327 -1.209 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1cnnn1 ZINC001032269451 656480602 /nfs/dbraw/zinc/48/06/02/656480602.db2.gz QBMZPWAXQZQHEA-GUBZILKMSA-N 1 2 293.331 -1.907 20 0 CAADLO CNC(=O)[C@H](C)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1cnnn1 ZINC001032269451 656480604 /nfs/dbraw/zinc/48/06/04/656480604.db2.gz QBMZPWAXQZQHEA-GUBZILKMSA-N 1 2 293.331 -1.907 20 0 CAADLO NC(=O)CC(=O)N1CCC(NC(=O)Cn2cc[nH+]c2)CC1 ZINC000945656447 656481378 /nfs/dbraw/zinc/48/13/78/656481378.db2.gz CWHQNSUKNWPNDE-UHFFFAOYSA-N 1 2 293.327 -1.134 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cc(C(N)=O)c[nH]2)C1 ZINC001015904886 656482021 /nfs/dbraw/zinc/48/20/21/656482021.db2.gz MYVWQQXAAMHYTG-VIFPVBQESA-N 1 2 293.327 -1.336 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cc(C(N)=O)c[nH]2)C1 ZINC001015904886 656482027 /nfs/dbraw/zinc/48/20/27/656482027.db2.gz MYVWQQXAAMHYTG-VIFPVBQESA-N 1 2 293.327 -1.336 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cc2ncc[nH]2)C1 ZINC001015905191 656482153 /nfs/dbraw/zinc/48/21/53/656482153.db2.gz MCSWDHHLYDLAFC-MRVPVSSYSA-N 1 2 251.290 -1.372 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)Cc2ncc[nH]2)C1 ZINC001015905191 656482158 /nfs/dbraw/zinc/48/21/58/656482158.db2.gz MCSWDHHLYDLAFC-MRVPVSSYSA-N 1 2 251.290 -1.372 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCn1cncn1 ZINC001032281876 656482298 /nfs/dbraw/zinc/48/22/98/656482298.db2.gz HEWSZVNOAXTCLN-VWYCJHECSA-N 1 2 292.343 -1.173 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCn1cncn1 ZINC001032281876 656482306 /nfs/dbraw/zinc/48/23/06/656482306.db2.gz HEWSZVNOAXTCLN-VWYCJHECSA-N 1 2 292.343 -1.173 20 0 CAADLO Cc1nonc1CC(=O)N[C@H]1CC[N@@H+]([C@@H](C)C(N)=O)C1 ZINC001015926099 656485630 /nfs/dbraw/zinc/48/56/30/656485630.db2.gz LYFNEZHSMMNKKC-IUCAKERBSA-N 1 2 281.316 -1.015 20 0 CAADLO Cc1nonc1CC(=O)N[C@H]1CC[N@H+]([C@@H](C)C(N)=O)C1 ZINC001015926099 656485638 /nfs/dbraw/zinc/48/56/38/656485638.db2.gz LYFNEZHSMMNKKC-IUCAKERBSA-N 1 2 281.316 -1.015 20 0 CAADLO Cc1nonc1CC(=O)N[C@@H]1CC[N@@H+]([C@H](C)C(N)=O)C1 ZINC001015926100 656485937 /nfs/dbraw/zinc/48/59/37/656485937.db2.gz LYFNEZHSMMNKKC-RKDXNWHRSA-N 1 2 281.316 -1.015 20 0 CAADLO Cc1nonc1CC(=O)N[C@@H]1CC[N@H+]([C@H](C)C(N)=O)C1 ZINC001015926100 656485944 /nfs/dbraw/zinc/48/59/44/656485944.db2.gz LYFNEZHSMMNKKC-RKDXNWHRSA-N 1 2 281.316 -1.015 20 0 CAADLO Cn1[nH]c(C[NH2+][C@@H]2CN(C(=O)C(N)=O)CC2(C)C)nc1=O ZINC000996217496 656487343 /nfs/dbraw/zinc/48/73/43/656487343.db2.gz IMZUYLNPINECCF-SSDOTTSWSA-N 1 2 296.331 -2.080 20 0 CAADLO Cn1nnnc1C[NH2+][C@@H]1CN(C(=O)C(N)=O)CC1(C)C ZINC000996219131 656488125 /nfs/dbraw/zinc/48/81/25/656488125.db2.gz MJGXDWVXRKRRRT-SSDOTTSWSA-N 1 2 281.320 -1.978 20 0 CAADLO Cn1c[nH+]cc1CC(=O)NC1CN(C(=O)C(N)=O)C1 ZINC000996446703 656490169 /nfs/dbraw/zinc/49/01/69/656490169.db2.gz HIDJIQPTVHDUIX-UHFFFAOYSA-N 1 2 265.273 -2.225 20 0 CAADLO Cn1c[nH+]cc1CC(=O)NC1CN(C(=O)c2cn[nH]n2)C1 ZINC000996449245 656490236 /nfs/dbraw/zinc/49/02/36/656490236.db2.gz FRPZANPCEBPHSW-UHFFFAOYSA-N 1 2 289.299 -1.279 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC(=O)N1 ZINC001032316077 656493847 /nfs/dbraw/zinc/49/38/47/656493847.db2.gz GVSODDJGMJRRPH-VPOLOUISSA-N 1 2 294.355 -1.315 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC(=O)N1 ZINC001032316077 656493853 /nfs/dbraw/zinc/49/38/53/656493853.db2.gz GVSODDJGMJRRPH-VPOLOUISSA-N 1 2 294.355 -1.315 20 0 CAADLO NC(=O)CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@H]1CCNC1=O ZINC001032323668 656494485 /nfs/dbraw/zinc/49/44/85/656494485.db2.gz KIJDCJLUHKTRAO-CIUDSAMLSA-N 1 2 266.301 -1.965 20 0 CAADLO NC(=O)CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2[C@H]1CCNC1=O ZINC001032323668 656494489 /nfs/dbraw/zinc/49/44/89/656494489.db2.gz KIJDCJLUHKTRAO-CIUDSAMLSA-N 1 2 266.301 -1.965 20 0 CAADLO NC(=O)CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@H]1CCCNC1=O ZINC001032323467 656494871 /nfs/dbraw/zinc/49/48/71/656494871.db2.gz FDFIKSITEXAFPV-GUBZILKMSA-N 1 2 280.328 -1.575 20 0 CAADLO NC(=O)CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2[C@H]1CCCNC1=O ZINC001032323467 656494875 /nfs/dbraw/zinc/49/48/75/656494875.db2.gz FDFIKSITEXAFPV-GUBZILKMSA-N 1 2 280.328 -1.575 20 0 CAADLO C[C@H](C(=O)N(C)C)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC(N)=O ZINC001032324522 656495432 /nfs/dbraw/zinc/49/54/32/656495432.db2.gz LAXUSMMPAGKVID-UTLUCORTSA-N 1 2 282.344 -1.376 20 0 CAADLO C[C@H](C(=O)N(C)C)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC(N)=O ZINC001032324522 656495436 /nfs/dbraw/zinc/49/54/36/656495436.db2.gz LAXUSMMPAGKVID-UTLUCORTSA-N 1 2 282.344 -1.376 20 0 CAADLO CN(C(=O)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC(N)=O)C1CC1 ZINC001032324165 656495456 /nfs/dbraw/zinc/49/54/56/656495456.db2.gz YQUFQCXRYOUDFI-QWRGUYRKSA-N 1 2 294.355 -1.232 20 0 CAADLO CN(C(=O)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC(N)=O)C1CC1 ZINC001032324165 656495461 /nfs/dbraw/zinc/49/54/61/656495461.db2.gz YQUFQCXRYOUDFI-QWRGUYRKSA-N 1 2 294.355 -1.232 20 0 CAADLO CN1CC[C@H]([N@@H+]2CC[C@@H](NC(=O)Cc3nnc[nH]3)C2)C1=O ZINC001015969603 656495485 /nfs/dbraw/zinc/49/54/85/656495485.db2.gz CKEUDHCAXGKHID-ZJUUUORDSA-N 1 2 292.343 -1.232 20 0 CAADLO CN1CC[C@H]([N@H+]2CC[C@@H](NC(=O)Cc3nnc[nH]3)C2)C1=O ZINC001015969603 656495487 /nfs/dbraw/zinc/49/54/87/656495487.db2.gz CKEUDHCAXGKHID-ZJUUUORDSA-N 1 2 292.343 -1.232 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC(N)=O ZINC001032324773 656495754 /nfs/dbraw/zinc/49/57/54/656495754.db2.gz VOUTUBSFRMEAON-VGMNWLOBSA-N 1 2 268.317 -1.719 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC(N)=O ZINC001032324773 656495756 /nfs/dbraw/zinc/49/57/56/656495756.db2.gz VOUTUBSFRMEAON-VGMNWLOBSA-N 1 2 268.317 -1.719 20 0 CAADLO NC(=O)CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC(=O)N1CCC1 ZINC001032324172 656495885 /nfs/dbraw/zinc/49/58/85/656495885.db2.gz YUXVDAMDKAJRHC-UWVGGRQHSA-N 1 2 280.328 -1.621 20 0 CAADLO NC(=O)CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC(=O)N1CCC1 ZINC001032324172 656495891 /nfs/dbraw/zinc/49/58/91/656495891.db2.gz YUXVDAMDKAJRHC-UWVGGRQHSA-N 1 2 280.328 -1.621 20 0 CAADLO C[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H]3C[C@H]2CN3CC(N)=O)C1 ZINC001032333800 656496292 /nfs/dbraw/zinc/49/62/92/656496292.db2.gz WGOLGPBNOIZOQY-GARJFASQSA-N 1 2 282.344 -1.913 20 0 CAADLO C[N@H+]1CCO[C@@H](C(=O)N2C[C@@H]3C[C@H]2CN3CC(N)=O)C1 ZINC001032333800 656496293 /nfs/dbraw/zinc/49/62/93/656496293.db2.gz WGOLGPBNOIZOQY-GARJFASQSA-N 1 2 282.344 -1.913 20 0 CAADLO CC[C@H](C(N)=O)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC(N)=O ZINC001032324785 656496303 /nfs/dbraw/zinc/49/63/03/656496303.db2.gz WGBFAQIYCMKVLZ-XHNCKOQMSA-N 1 2 268.317 -1.589 20 0 CAADLO CC[C@H](C(N)=O)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC(N)=O ZINC001032324785 656496308 /nfs/dbraw/zinc/49/63/08/656496308.db2.gz WGBFAQIYCMKVLZ-XHNCKOQMSA-N 1 2 268.317 -1.589 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCn1ccnn1 ZINC001032376800 656498620 /nfs/dbraw/zinc/49/86/20/656498620.db2.gz WZLCQRZYNVNEJU-DCAQKATOSA-N 1 2 292.343 -1.173 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCn1ccnn1 ZINC001032376800 656498621 /nfs/dbraw/zinc/49/86/21/656498621.db2.gz WZLCQRZYNVNEJU-DCAQKATOSA-N 1 2 292.343 -1.173 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCn1ccnn1 ZINC001032376801 656498899 /nfs/dbraw/zinc/49/88/99/656498899.db2.gz WZLCQRZYNVNEJU-VWYCJHECSA-N 1 2 292.343 -1.173 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCn1ccnn1 ZINC001032376801 656498904 /nfs/dbraw/zinc/49/89/04/656498904.db2.gz WZLCQRZYNVNEJU-VWYCJHECSA-N 1 2 292.343 -1.173 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1ncnn1 ZINC001032406545 656501030 /nfs/dbraw/zinc/50/10/30/656501030.db2.gz PGEZAGLZSKDOMR-UTLUCORTSA-N 1 2 293.331 -1.907 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1ncnn1 ZINC001032406545 656501035 /nfs/dbraw/zinc/50/10/35/656501035.db2.gz PGEZAGLZSKDOMR-UTLUCORTSA-N 1 2 293.331 -1.907 20 0 CAADLO C[C@@H]([NH2+]C1CCN(C(=O)Cc2ncn[nH]2)CC1)C(N)=O ZINC000997161031 656502865 /nfs/dbraw/zinc/50/28/65/656502865.db2.gz NLACYBBTRFNQSL-MRVPVSSYSA-N 1 2 280.332 -1.198 20 0 CAADLO CN1C(=O)CN(CC(=O)N[C@H]2CC[N@H+](CC(N)=O)C2)C1=O ZINC001015985869 656504628 /nfs/dbraw/zinc/50/46/28/656504628.db2.gz BEWTVVMHNLNPSO-QMMMGPOBSA-N 1 2 297.315 -2.444 20 0 CAADLO CN1C(=O)CN(CC(=O)N[C@H]2CC[N@@H+](CC(N)=O)C2)C1=O ZINC001015985869 656504634 /nfs/dbraw/zinc/50/46/34/656504634.db2.gz BEWTVVMHNLNPSO-QMMMGPOBSA-N 1 2 297.315 -2.444 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1nccn1 ZINC001032425578 656505869 /nfs/dbraw/zinc/50/58/69/656505869.db2.gz ZHBBCCURBCODML-DCAQKATOSA-N 1 2 292.343 -1.302 20 0 CAADLO CNC(=O)[C@H](C)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1nccn1 ZINC001032425578 656505876 /nfs/dbraw/zinc/50/58/76/656505876.db2.gz ZHBBCCURBCODML-DCAQKATOSA-N 1 2 292.343 -1.302 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1nccn1 ZINC001032425579 656506855 /nfs/dbraw/zinc/50/68/55/656506855.db2.gz ZHBBCCURBCODML-VWYCJHECSA-N 1 2 292.343 -1.302 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1nccn1 ZINC001032425579 656506858 /nfs/dbraw/zinc/50/68/58/656506858.db2.gz ZHBBCCURBCODML-VWYCJHECSA-N 1 2 292.343 -1.302 20 0 CAADLO O=C(Cn1cc[nH+]c1)N1CC(NC(=O)[C@H]2CCNC2=O)C1 ZINC000997431744 656507675 /nfs/dbraw/zinc/50/76/75/656507675.db2.gz CXAQZIZTRKHRAW-JTQLQIEISA-N 1 2 291.311 -1.654 20 0 CAADLO O=C(c1cn[nH]n1)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@H]1CCNC1=O ZINC001032493215 656513014 /nfs/dbraw/zinc/51/30/14/656513014.db2.gz APQHNABWHAIAOT-NRPADANISA-N 1 2 276.300 -1.408 20 0 CAADLO O=C(c1cn[nH]n1)N1C[C@@H]2C[C@H]1C[N@H+]2[C@H]1CCNC1=O ZINC001032493215 656513020 /nfs/dbraw/zinc/51/30/20/656513020.db2.gz APQHNABWHAIAOT-NRPADANISA-N 1 2 276.300 -1.408 20 0 CAADLO CC(=O)N1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001016048103 656517131 /nfs/dbraw/zinc/51/71/31/656517131.db2.gz VPHJIIJQHBXCFD-QWRGUYRKSA-N 1 2 282.344 -1.327 20 0 CAADLO CC(=O)N1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001016048103 656517134 /nfs/dbraw/zinc/51/71/34/656517134.db2.gz VPHJIIJQHBXCFD-QWRGUYRKSA-N 1 2 282.344 -1.327 20 0 CAADLO C[N@@H+]1CCO[C@H](C(=O)N2CC(NC(=O)c3nnc[nH]3)C2)C1 ZINC000997809082 656517326 /nfs/dbraw/zinc/51/73/26/656517326.db2.gz ILLMLRHTYYJJSJ-VIFPVBQESA-N 1 2 294.315 -1.924 20 0 CAADLO C[N@H+]1CCO[C@H](C(=O)N2CC(NC(=O)c3nnc[nH]3)C2)C1 ZINC000997809082 656517332 /nfs/dbraw/zinc/51/73/32/656517332.db2.gz ILLMLRHTYYJJSJ-VIFPVBQESA-N 1 2 294.315 -1.924 20 0 CAADLO Cn1nnc(C(=O)NC2CN(C(=O)Cn3cc[nH+]c3)C2)n1 ZINC000997877136 656521285 /nfs/dbraw/zinc/52/12/85/656521285.db2.gz IFLUBEINPCZMKZ-UHFFFAOYSA-N 1 2 290.287 -1.953 20 0 CAADLO Cn1nnc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3[C@H]2CCNC2=O)n1 ZINC001032574024 656521927 /nfs/dbraw/zinc/52/19/27/656521927.db2.gz YIMGQVUMEFNXTF-CIUDSAMLSA-N 1 2 291.315 -2.003 20 0 CAADLO Cn1nnc(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3[C@H]2CCNC2=O)n1 ZINC001032574024 656521932 /nfs/dbraw/zinc/52/19/32/656521932.db2.gz YIMGQVUMEFNXTF-CIUDSAMLSA-N 1 2 291.315 -2.003 20 0 CAADLO NC(=O)C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1cc[nH+]c1)C2 ZINC000997879808 656522163 /nfs/dbraw/zinc/52/21/63/656522163.db2.gz UKCJQPKDRFFUNE-UTLUCORTSA-N 1 2 291.311 -1.384 20 0 CAADLO NC(=O)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCn1cncn1 ZINC001032598266 656525884 /nfs/dbraw/zinc/52/58/84/656525884.db2.gz AFHOAIDNKMFSKG-IUCAKERBSA-N 1 2 264.289 -1.952 20 0 CAADLO NC(=O)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCn1cncn1 ZINC001032598266 656525891 /nfs/dbraw/zinc/52/58/91/656525891.db2.gz AFHOAIDNKMFSKG-IUCAKERBSA-N 1 2 264.289 -1.952 20 0 CAADLO CC[C@H](C(N)=O)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1(C(N)=O)CC1 ZINC001032600825 656526743 /nfs/dbraw/zinc/52/67/43/656526743.db2.gz YDXVXGDHCDSASA-LPEHRKFASA-N 1 2 294.355 -1.199 20 0 CAADLO CC[C@H](C(N)=O)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1(C(N)=O)CC1 ZINC001032600825 656526748 /nfs/dbraw/zinc/52/67/48/656526748.db2.gz YDXVXGDHCDSASA-LPEHRKFASA-N 1 2 294.355 -1.199 20 0 CAADLO NC(=O)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCN1C(=O)CNC1=O ZINC001032599000 656527103 /nfs/dbraw/zinc/52/71/03/656527103.db2.gz ZHBRQDZNSRTJQN-YUMQZZPRSA-N 1 2 295.299 -2.691 20 0 CAADLO NC(=O)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCN1C(=O)CNC1=O ZINC001032599000 656527106 /nfs/dbraw/zinc/52/71/06/656527106.db2.gz ZHBRQDZNSRTJQN-YUMQZZPRSA-N 1 2 295.299 -2.691 20 0 CAADLO O=C(Cn1cc[nH+]c1)N1CC(NC(=O)c2cnon2)C1 ZINC000998237709 656529438 /nfs/dbraw/zinc/52/94/38/656529438.db2.gz VMXSLISZFOIMQI-UHFFFAOYSA-N 1 2 276.256 -1.093 20 0 CAADLO O=C(Cc1[nH]cc[nH+]1)NC1CN(C(=O)[C@H]2COCCO2)C1 ZINC000998384604 656531306 /nfs/dbraw/zinc/53/13/06/656531306.db2.gz UYXZODBGJREEKS-SNVBAGLBSA-N 1 2 294.311 -1.305 20 0 CAADLO O=C(Cc1[nH]cc[nH+]1)NC1CN(C(=O)Cn2ncnn2)C1 ZINC000998382525 656531575 /nfs/dbraw/zinc/53/15/75/656531575.db2.gz ILSUDYJKBXSGJY-UHFFFAOYSA-N 1 2 290.287 -2.034 20 0 CAADLO O=C(Cc1[nH]cc[nH+]1)NC1CN(C(=O)c2cnon2)C1 ZINC000998382978 656531695 /nfs/dbraw/zinc/53/16/95/656531695.db2.gz MEEPCBFKMDIUJY-UHFFFAOYSA-N 1 2 276.256 -1.024 20 0 CAADLO O=C(Cc1[nH]cc[nH+]1)NC1CN(C(=O)c2cn[nH]n2)C1 ZINC000998379804 656531890 /nfs/dbraw/zinc/53/18/90/656531890.db2.gz PCUOETFWHMYFCQ-UHFFFAOYSA-N 1 2 275.272 -1.289 20 0 CAADLO O=C(Cc1[nH]cc[nH+]1)NC1CN(C(=O)[C@@H]2CCC(=O)N2)C1 ZINC000998384275 656532582 /nfs/dbraw/zinc/53/25/82/656532582.db2.gz XLKYBEQOIJWIEG-VIFPVBQESA-N 1 2 291.311 -1.442 20 0 CAADLO COCC(=O)N1CC(NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000998382917 656532647 /nfs/dbraw/zinc/53/26/47/656532647.db2.gz LCJZCEWCOBRAHX-UHFFFAOYSA-N 1 2 252.274 -1.074 20 0 CAADLO O=C(Cc1[nH]cc[nH+]1)NC1CN(C(=O)Cn2cnnn2)C1 ZINC000998382864 656532974 /nfs/dbraw/zinc/53/29/74/656532974.db2.gz JVEQKNIYFVETOD-UHFFFAOYSA-N 1 2 290.287 -2.034 20 0 CAADLO O=C(Cc1[nH]cc[nH+]1)NC1CN(C(=O)[C@H]2COC(=O)N2)C1 ZINC000998381394 656533241 /nfs/dbraw/zinc/53/32/41/656533241.db2.gz ANHGPMJZTUOSHS-MRVPVSSYSA-N 1 2 293.283 -1.612 20 0 CAADLO O=C(Cc1[nH]cc[nH+]1)NC1CN(C(=O)[C@@H]2COC(=O)N2)C1 ZINC000998381449 656533350 /nfs/dbraw/zinc/53/33/50/656533350.db2.gz ANHGPMJZTUOSHS-QMMMGPOBSA-N 1 2 293.283 -1.612 20 0 CAADLO NC(=O)C1(C(=O)N2CC(NC(=O)Cc3[nH]cc[nH+]3)C2)CC1 ZINC000998383791 656533518 /nfs/dbraw/zinc/53/35/18/656533518.db2.gz SQTOBZWATVCAKJ-UHFFFAOYSA-N 1 2 291.311 -1.455 20 0 CAADLO O=C(Cc1[nH]cc[nH+]1)N1CC(NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC000998668341 656538549 /nfs/dbraw/zinc/53/85/49/656538549.db2.gz DRAZLJQXZYSXTK-QMMMGPOBSA-N 1 2 292.299 -2.039 20 0 CAADLO Cn1c[nH+]cc1CC(=O)N1CC(NC(=O)C(N)=O)C1 ZINC000998703346 656543004 /nfs/dbraw/zinc/54/30/04/656543004.db2.gz DQMIJFZFOIWESU-UHFFFAOYSA-N 1 2 265.273 -2.225 20 0 CAADLO Cn1cc[nH+]c1CCC(=O)N1CC(NC(=O)C(N)=O)C1 ZINC000998704776 656545554 /nfs/dbraw/zinc/54/55/54/656545554.db2.gz NRHNCPRUAOJYBJ-UHFFFAOYSA-N 1 2 279.300 -1.835 20 0 CAADLO NC(=O)C(=O)NC1CN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC000998714273 656548788 /nfs/dbraw/zinc/54/87/88/656548788.db2.gz HTMGUAKVQYGOKW-MRVPVSSYSA-N 1 2 291.311 -1.742 20 0 CAADLO NC(=O)C(=O)NC1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000998724965 656557456 /nfs/dbraw/zinc/55/74/56/656557456.db2.gz LFBZIRGZPZRWNA-HTQZYQBOSA-N 1 2 277.284 -1.675 20 0 CAADLO NC(=O)C(=O)NC1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC000998724965 656557465 /nfs/dbraw/zinc/55/74/65/656557465.db2.gz LFBZIRGZPZRWNA-HTQZYQBOSA-N 1 2 277.284 -1.675 20 0 CAADLO NC(=O)C(=O)NC1CN(C(=O)CCn2cc[nH+]c2)C1 ZINC000998726001 656559012 /nfs/dbraw/zinc/55/90/12/656559012.db2.gz VKSKEXFFJMJMFF-UHFFFAOYSA-N 1 2 265.273 -1.915 20 0 CAADLO CC(=O)N1CC[C@H](C(=O)N[C@H]2CC[N@H+](CC(N)=O)C2)C1 ZINC001016120620 656560599 /nfs/dbraw/zinc/56/05/99/656560599.db2.gz RTMFSKULCJXRNK-QWRGUYRKSA-N 1 2 282.344 -1.469 20 0 CAADLO CC(=O)N1CC[C@H](C(=O)N[C@H]2CC[N@@H+](CC(N)=O)C2)C1 ZINC001016120620 656560609 /nfs/dbraw/zinc/56/06/09/656560609.db2.gz RTMFSKULCJXRNK-QWRGUYRKSA-N 1 2 282.344 -1.469 20 0 CAADLO Cn1ncc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3[C@H]2CCNC2=O)n1 ZINC001032682356 656570854 /nfs/dbraw/zinc/57/08/54/656570854.db2.gz GTFDIEGVCYLCLK-QXEWZRGKSA-N 1 2 290.327 -1.398 20 0 CAADLO Cn1ncc(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3[C@H]2CCNC2=O)n1 ZINC001032682356 656570855 /nfs/dbraw/zinc/57/08/55/656570855.db2.gz GTFDIEGVCYLCLK-QXEWZRGKSA-N 1 2 290.327 -1.398 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC(=O)N2C)C1 ZINC001016138161 656571182 /nfs/dbraw/zinc/57/11/82/656571182.db2.gz QEVOSAGMANZOEY-QWRGUYRKSA-N 1 2 296.371 -1.066 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCC(=O)N2C)C1 ZINC001016138161 656571188 /nfs/dbraw/zinc/57/11/88/656571188.db2.gz QEVOSAGMANZOEY-QWRGUYRKSA-N 1 2 296.371 -1.066 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCn1cnnn1 ZINC001032698946 656572013 /nfs/dbraw/zinc/57/20/13/656572013.db2.gz AZISRSWYRPERAV-UTLUCORTSA-N 1 2 293.331 -1.778 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCn1cnnn1 ZINC001032698946 656572005 /nfs/dbraw/zinc/57/20/05/656572005.db2.gz AZISRSWYRPERAV-UTLUCORTSA-N 1 2 293.331 -1.778 20 0 CAADLO CN(C(=O)C(N)=O)C1CC([NH2+]Cc2nnn(C)n2)C1 ZINC000999325412 656572692 /nfs/dbraw/zinc/57/26/92/656572692.db2.gz BEAPUQPZCSHLQG-UHFFFAOYSA-N 1 2 267.293 -2.226 20 0 CAADLO CN(C(=O)Cc1ncn[nH]1)C1CC([NH2+]CC(N)=O)C1 ZINC000999661087 656579896 /nfs/dbraw/zinc/57/98/96/656579896.db2.gz RRYDREMDMTZPPE-UHFFFAOYSA-N 1 2 266.305 -1.589 20 0 CAADLO CN(C(=O)c1cnon1)C1CC([NH2+]Cc2nnn(C)n2)C1 ZINC000999581985 656579931 /nfs/dbraw/zinc/57/99/31/656579931.db2.gz IUOHHMGEPUVVCJ-UHFFFAOYSA-N 1 2 292.303 -1.014 20 0 CAADLO CC(C)n1nnnc1C[NH2+][C@@H]1CCCN(C(=O)C(N)=O)C1 ZINC001000055996 656593982 /nfs/dbraw/zinc/59/39/82/656593982.db2.gz JIZAWQCZNHGLGD-SECBINFHSA-N 1 2 295.347 -1.180 20 0 CAADLO NC(=O)C(=O)N1CCC[C@@H]([NH2+]Cc2nnnn2C2CC2)C1 ZINC001000055551 656594628 /nfs/dbraw/zinc/59/46/28/656594628.db2.gz IGPUNAYTDRPJSJ-MRVPVSSYSA-N 1 2 293.331 -1.426 20 0 CAADLO CN(C)c1noc(C[NH2+][C@@H]2CCCN(C(=O)C(N)=O)C2)n1 ZINC001000059250 656595749 /nfs/dbraw/zinc/59/57/49/656595749.db2.gz ULJJQAUCYSBEOG-MRVPVSSYSA-N 1 2 296.331 -1.299 20 0 CAADLO Cn1[nH]c(C[NH2+][C@H]2CCCN(C(=O)C(N)=O)C2)nc1=O ZINC001000055221 656595857 /nfs/dbraw/zinc/59/58/57/656595857.db2.gz GWNZNURHQSNGIL-ZETCQYMHSA-N 1 2 282.304 -2.326 20 0 CAADLO Cn1[nH]c(C[NH2+][C@@H]2CCCN(C(=O)C(N)=O)C2)nc1=O ZINC001000055213 656595937 /nfs/dbraw/zinc/59/59/37/656595937.db2.gz GWNZNURHQSNGIL-SSDOTTSWSA-N 1 2 282.304 -2.326 20 0 CAADLO Cc1noc(C[NH2+][C@H]2CCCN(C(=O)C(N)=O)C2)n1 ZINC001000058717 656596085 /nfs/dbraw/zinc/59/60/85/656596085.db2.gz SYVWCCAKXJDQIU-QMMMGPOBSA-N 1 2 267.289 -1.056 20 0 CAADLO CC[C@@H](C(N)=O)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1nnc[nH]1 ZINC001032723969 656597577 /nfs/dbraw/zinc/59/75/77/656597577.db2.gz AJEAMUNEQBPOJD-GUBZILKMSA-N 1 2 292.343 -1.104 20 0 CAADLO CC[C@@H](C(N)=O)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1nnc[nH]1 ZINC001032723969 656597598 /nfs/dbraw/zinc/59/75/98/656597598.db2.gz AJEAMUNEQBPOJD-GUBZILKMSA-N 1 2 292.343 -1.104 20 0 CAADLO CC[C@H](C(N)=O)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1nnc[nH]1 ZINC001032723970 656597927 /nfs/dbraw/zinc/59/79/27/656597927.db2.gz AJEAMUNEQBPOJD-LPEHRKFASA-N 1 2 292.343 -1.104 20 0 CAADLO CC[C@H](C(N)=O)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1nnc[nH]1 ZINC001032723970 656597942 /nfs/dbraw/zinc/59/79/42/656597942.db2.gz AJEAMUNEQBPOJD-LPEHRKFASA-N 1 2 292.343 -1.104 20 0 CAADLO CC[C@@H](C(N)=O)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1cncn1 ZINC001032769361 656603020 /nfs/dbraw/zinc/60/30/20/656603020.db2.gz GOKHYFGPHXBNQJ-DCAQKATOSA-N 1 2 292.343 -1.173 20 0 CAADLO CC[C@@H](C(N)=O)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1cncn1 ZINC001032769361 656603024 /nfs/dbraw/zinc/60/30/24/656603024.db2.gz GOKHYFGPHXBNQJ-DCAQKATOSA-N 1 2 292.343 -1.173 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1cncn1 ZINC001032769573 656603204 /nfs/dbraw/zinc/60/32/04/656603204.db2.gz NHRHVVPDTURKSF-DCAQKATOSA-N 1 2 292.343 -1.302 20 0 CAADLO CNC(=O)[C@H](C)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1cncn1 ZINC001032769573 656603206 /nfs/dbraw/zinc/60/32/06/656603206.db2.gz NHRHVVPDTURKSF-DCAQKATOSA-N 1 2 292.343 -1.302 20 0 CAADLO O=C([C@H]1CCCO1)N1CC[NH+](C[C@H](O)CO)CC1 ZINC000929238875 656604166 /nfs/dbraw/zinc/60/41/66/656604166.db2.gz STTWYSJZUSYNSJ-WDEREUQCSA-N 1 2 258.318 -1.337 20 0 CAADLO CN1CC(=O)N(CC(=O)N[C@H]2CC[N@H+](CC(N)=O)C2)C1=O ZINC001016200617 656605237 /nfs/dbraw/zinc/60/52/37/656605237.db2.gz WTTCQDJAIDCORM-QMMMGPOBSA-N 1 2 297.315 -2.444 20 0 CAADLO CN1CC(=O)N(CC(=O)N[C@H]2CC[N@@H+](CC(N)=O)C2)C1=O ZINC001016200617 656605241 /nfs/dbraw/zinc/60/52/41/656605241.db2.gz WTTCQDJAIDCORM-QMMMGPOBSA-N 1 2 297.315 -2.444 20 0 CAADLO O=C(Cc1c[nH]c[nH+]1)NC1CN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001000568564 656608168 /nfs/dbraw/zinc/60/81/68/656608168.db2.gz JORHUEOKKURNIT-VIFPVBQESA-N 1 2 292.299 -2.039 20 0 CAADLO O=C(Cc1c[nH]c[nH+]1)NC1CN(C(=O)c2cnon2)C1 ZINC001000564723 656608412 /nfs/dbraw/zinc/60/84/12/656608412.db2.gz QPHUKBVCHMRTCI-UHFFFAOYSA-N 1 2 276.256 -1.024 20 0 CAADLO O=C(Cc1c[nH]c[nH+]1)NC1CN(C(=O)Cn2ncnn2)C1 ZINC001000567926 656608451 /nfs/dbraw/zinc/60/84/51/656608451.db2.gz BJSILZBRYBOAFQ-UHFFFAOYSA-N 1 2 290.287 -2.034 20 0 CAADLO O=C(Cc1c[nH]c[nH+]1)NC1CN(C(=O)Cn2cncn2)C1 ZINC001000577781 656608623 /nfs/dbraw/zinc/60/86/23/656608623.db2.gz QJWUZBZWJGVQII-UHFFFAOYSA-N 1 2 289.299 -1.429 20 0 CAADLO O=C(Cc1c[nH]c[nH+]1)NC1CN(C(=O)[C@@H]2CCNC2=O)C1 ZINC001000566030 656609301 /nfs/dbraw/zinc/60/93/01/656609301.db2.gz ZKKKGRURSFXNOA-SNVBAGLBSA-N 1 2 291.311 -1.585 20 0 CAADLO NC(=O)C1(C(=O)N2CC(NC(=O)Cc3c[nH]c[nH+]3)C2)CC1 ZINC001000569938 656609324 /nfs/dbraw/zinc/60/93/24/656609324.db2.gz UGQAUMAANLWXSS-UHFFFAOYSA-N 1 2 291.311 -1.455 20 0 CAADLO O=C(Cc1c[nH]c[nH+]1)NC1CN(C(=O)Cn2cnnn2)C1 ZINC001000560703 656609632 /nfs/dbraw/zinc/60/96/32/656609632.db2.gz XVAQGLOOOSBTAE-UHFFFAOYSA-N 1 2 290.287 -2.034 20 0 CAADLO O=C(Cc1c[nH]c[nH+]1)NC1CN(C(=O)[C@@H]2COCCO2)C1 ZINC001000559779 656609840 /nfs/dbraw/zinc/60/98/40/656609840.db2.gz QFWDPQJBLSWJBT-NSHDSACASA-N 1 2 294.311 -1.305 20 0 CAADLO NC(=O)C[NH2+][C@H]1CCCN(C(=O)Cc2ncn[nH]2)C1 ZINC001000645157 656610814 /nfs/dbraw/zinc/61/08/14/656610814.db2.gz PLXABHDDCXLBFZ-QMMMGPOBSA-N 1 2 266.305 -1.587 20 0 CAADLO C[C@@H]([NH2+][C@@H]1CCCN(C(=O)Cc2ncn[nH]2)C1)C(N)=O ZINC001000644031 656610983 /nfs/dbraw/zinc/61/09/83/656610983.db2.gz LPBFZBKRYHFPOL-RKDXNWHRSA-N 1 2 280.332 -1.198 20 0 CAADLO O=C(Cc1ncn[nH]1)N1CCC[C@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001000645374 656612547 /nfs/dbraw/zinc/61/25/47/656612547.db2.gz QQFMPCPZBDLCCK-VHSXEESVSA-N 1 2 292.343 -1.184 20 0 CAADLO C[N@@H+]1CCO[C@@H](C(=O)N2CCC(=O)NCC23COC3)C1 ZINC000921802064 656612656 /nfs/dbraw/zinc/61/26/56/656612656.db2.gz REBYKNHYUXBYHZ-SNVBAGLBSA-N 1 2 283.328 -1.566 20 0 CAADLO C[N@H+]1CCO[C@@H](C(=O)N2CCC(=O)NCC23COC3)C1 ZINC000921802064 656612660 /nfs/dbraw/zinc/61/26/60/656612660.db2.gz REBYKNHYUXBYHZ-SNVBAGLBSA-N 1 2 283.328 -1.566 20 0 CAADLO O=C(Cc1ncn[nH]1)N1CCC[C@@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001000645370 656612739 /nfs/dbraw/zinc/61/27/39/656612739.db2.gz QQFMPCPZBDLCCK-NXEZZACHSA-N 1 2 292.343 -1.184 20 0 CAADLO Cn1cc(C(=O)N[C@H]2CC[N@H+](CC(N)=O)C2)c(=O)[nH]c1=O ZINC001016240652 656617692 /nfs/dbraw/zinc/61/76/92/656617692.db2.gz SIVDVPXQIWBOLG-ZETCQYMHSA-N 1 2 295.299 -2.225 20 0 CAADLO Cn1cc(C(=O)N[C@H]2CC[N@@H+](CC(N)=O)C2)c(=O)[nH]c1=O ZINC001016240652 656617695 /nfs/dbraw/zinc/61/76/95/656617695.db2.gz SIVDVPXQIWBOLG-ZETCQYMHSA-N 1 2 295.299 -2.225 20 0 CAADLO CNC(=O)C[NH+]1CCC(CNC(=O)c2ncn[nH]2)CC1 ZINC001001952792 656626205 /nfs/dbraw/zinc/62/62/05/656626205.db2.gz LNHYATLHLCLQNE-UHFFFAOYSA-N 1 2 280.332 -1.008 20 0 CAADLO CNC(=O)C[NH+]1CCC(CNC(=O)c2nc[nH]n2)CC1 ZINC001001952792 656626211 /nfs/dbraw/zinc/62/62/11/656626211.db2.gz LNHYATLHLCLQNE-UHFFFAOYSA-N 1 2 280.332 -1.008 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)c2c[nH]c(C(N)=O)c2)C1 ZINC001016273833 656627273 /nfs/dbraw/zinc/62/72/73/656627273.db2.gz YLOYFUORRSTBAR-QMMMGPOBSA-N 1 2 279.300 -1.597 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)c2c[nH]c(C(N)=O)c2)C1 ZINC001016273833 656627279 /nfs/dbraw/zinc/62/72/79/656627279.db2.gz YLOYFUORRSTBAR-QMMMGPOBSA-N 1 2 279.300 -1.597 20 0 CAADLO CC(=O)N1CCOC[C@H]1C(=O)N[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001016295843 656628591 /nfs/dbraw/zinc/62/85/91/656628591.db2.gz WWWLTWWRURUAJW-QWRGUYRKSA-N 1 2 298.343 -2.091 20 0 CAADLO CC(=O)N1CCOC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001016295843 656628597 /nfs/dbraw/zinc/62/85/97/656628597.db2.gz WWWLTWWRURUAJW-QWRGUYRKSA-N 1 2 298.343 -2.091 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC(=O)N2C)C1 ZINC001032829709 656634000 /nfs/dbraw/zinc/63/40/00/656634000.db2.gz YWLBSNQVCNXYDE-UTLUCORTSA-N 1 2 282.344 -1.329 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC(=O)N2C)C1 ZINC001032829709 656634010 /nfs/dbraw/zinc/63/40/10/656634010.db2.gz YWLBSNQVCNXYDE-UTLUCORTSA-N 1 2 282.344 -1.329 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC(=O)N2C)C1 ZINC001032830009 656634218 /nfs/dbraw/zinc/63/42/18/656634218.db2.gz YWLBSNQVCNXYDE-KXUCPTDWSA-N 1 2 282.344 -1.329 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)[C@H]2CCC(=O)N2C)C1 ZINC001032830009 656634227 /nfs/dbraw/zinc/63/42/27/656634227.db2.gz YWLBSNQVCNXYDE-KXUCPTDWSA-N 1 2 282.344 -1.329 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCN2C(C)=O)C1 ZINC001016349136 656638004 /nfs/dbraw/zinc/63/80/04/656638004.db2.gz NIDKXCRAAFAGMF-VXGBXAGGSA-N 1 2 296.371 -1.066 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CCCN2C(C)=O)C1 ZINC001016349136 656638014 /nfs/dbraw/zinc/63/80/14/656638014.db2.gz NIDKXCRAAFAGMF-VXGBXAGGSA-N 1 2 296.371 -1.066 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCN2C(N)=O)C1 ZINC001032833877 656644078 /nfs/dbraw/zinc/64/40/78/656644078.db2.gz BSNWMNKXCRZMFB-GUBZILKMSA-N 1 2 297.359 -1.406 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCN2C(N)=O)C1 ZINC001032833877 656644091 /nfs/dbraw/zinc/64/40/91/656644091.db2.gz BSNWMNKXCRZMFB-GUBZILKMSA-N 1 2 297.359 -1.406 20 0 CAADLO O=C(NC1CC[NH+]([C@H]2CCNC2=O)CC1)c1cn[nH]n1 ZINC001003231450 656646751 /nfs/dbraw/zinc/64/67/51/656646751.db2.gz OFAGHGUQPGSPJW-JTQLQIEISA-N 1 2 278.316 -1.113 20 0 CAADLO O=C(NC1CC[NH+]([C@H]2CCNC2=O)CC1)c1cnn[nH]1 ZINC001003231450 656646765 /nfs/dbraw/zinc/64/67/65/656646765.db2.gz OFAGHGUQPGSPJW-JTQLQIEISA-N 1 2 278.316 -1.113 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCC(=O)N2)C1 ZINC001032837327 656647310 /nfs/dbraw/zinc/64/73/10/656647310.db2.gz IHBWBBXJFVPGQP-OPRDCNLKSA-N 1 2 282.344 -1.281 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)[C@H]2CCCC(=O)N2)C1 ZINC001032837327 656647326 /nfs/dbraw/zinc/64/73/26/656647326.db2.gz IHBWBBXJFVPGQP-OPRDCNLKSA-N 1 2 282.344 -1.281 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCC(=O)N2C)C1 ZINC001032839955 656648479 /nfs/dbraw/zinc/64/84/79/656648479.db2.gz YWLBSNQVCNXYDE-OPRDCNLKSA-N 1 2 282.344 -1.329 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)[C@H]2CCC(=O)N2C)C1 ZINC001032839955 656648491 /nfs/dbraw/zinc/64/84/91/656648491.db2.gz YWLBSNQVCNXYDE-OPRDCNLKSA-N 1 2 282.344 -1.329 20 0 CAADLO Cn1nnnc1CN1CC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001016395353 656651668 /nfs/dbraw/zinc/65/16/68/656651668.db2.gz YUOAINOHJCILCI-SNVBAGLBSA-N 1 2 290.331 -1.203 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001032843268 656654310 /nfs/dbraw/zinc/65/43/10/656654310.db2.gz ZVNPZRZDTPGASG-YIZRAAEISA-N 1 2 268.317 -1.671 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001032843268 656654317 /nfs/dbraw/zinc/65/43/17/656654317.db2.gz ZVNPZRZDTPGASG-YIZRAAEISA-N 1 2 268.317 -1.671 20 0 CAADLO Cn1ccnc1C[NH+]1CCC(NC(=O)C(N)=O)CC1 ZINC001003535416 656654389 /nfs/dbraw/zinc/65/43/89/656654389.db2.gz VNYRJPXGEGRTPB-UHFFFAOYSA-N 1 2 265.317 -1.014 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)[C@H](C)N2CCOCC2)C1 ZINC001032844415 656662820 /nfs/dbraw/zinc/66/28/20/656662820.db2.gz KYSGFYJLYOTHPN-GRYCIOLGSA-N 1 2 298.387 -1.229 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)[C@H](C)N2CCOCC2)C1 ZINC001032844415 656662830 /nfs/dbraw/zinc/66/28/30/656662830.db2.gz KYSGFYJLYOTHPN-GRYCIOLGSA-N 1 2 298.387 -1.229 20 0 CAADLO CCC(=O)N(C)[C@@H]1CC[N@H+](CC(=O)N2CCNC(=O)C2)C1 ZINC001032848707 656663193 /nfs/dbraw/zinc/66/31/93/656663193.db2.gz DYVCWSQCOFNOSB-LLVKDONJSA-N 1 2 296.371 -1.113 20 0 CAADLO CCC(=O)N(C)[C@@H]1CC[N@@H+](CC(=O)N2CCNC(=O)C2)C1 ZINC001032848707 656663199 /nfs/dbraw/zinc/66/31/99/656663199.db2.gz DYVCWSQCOFNOSB-LLVKDONJSA-N 1 2 296.371 -1.113 20 0 CAADLO CC(=O)N(C)[C@H]1CC[N@H+](CC(=O)N2CCNC(=O)C2)C1 ZINC001032853749 656663417 /nfs/dbraw/zinc/66/34/17/656663417.db2.gz VCNZMQRMQWHEOB-NSHDSACASA-N 1 2 282.344 -1.503 20 0 CAADLO CC(=O)N(C)[C@H]1CC[N@@H+](CC(=O)N2CCNC(=O)C2)C1 ZINC001032853749 656663427 /nfs/dbraw/zinc/66/34/27/656663427.db2.gz VCNZMQRMQWHEOB-NSHDSACASA-N 1 2 282.344 -1.503 20 0 CAADLO CN(C(=O)Cn1cnnn1)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001032895970 656664835 /nfs/dbraw/zinc/66/48/35/656664835.db2.gz CRDZITZSYFNSGN-MRVPVSSYSA-N 1 2 267.293 -2.309 20 0 CAADLO CN(C(=O)Cn1cnnn1)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001032895970 656664843 /nfs/dbraw/zinc/66/48/43/656664843.db2.gz CRDZITZSYFNSGN-MRVPVSSYSA-N 1 2 267.293 -2.309 20 0 CAADLO CN(C(=O)CN1CCCC1=O)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001032904051 656665210 /nfs/dbraw/zinc/66/52/10/656665210.db2.gz JNVSXFNRUQNCSR-SNVBAGLBSA-N 1 2 282.344 -1.373 20 0 CAADLO CN(C(=O)CN1CCCC1=O)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001032904051 656665221 /nfs/dbraw/zinc/66/52/21/656665221.db2.gz JNVSXFNRUQNCSR-SNVBAGLBSA-N 1 2 282.344 -1.373 20 0 CAADLO CN(C(=O)Cn1cnnn1)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001032895976 656665915 /nfs/dbraw/zinc/66/59/15/656665915.db2.gz CRDZITZSYFNSGN-QMMMGPOBSA-N 1 2 267.293 -2.309 20 0 CAADLO CN(C(=O)Cn1cnnn1)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001032895976 656665921 /nfs/dbraw/zinc/66/59/21/656665921.db2.gz CRDZITZSYFNSGN-QMMMGPOBSA-N 1 2 267.293 -2.309 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)c2nccnc2N)C1 ZINC001032966231 656667035 /nfs/dbraw/zinc/66/70/35/656667035.db2.gz QZVAVOHGFABUAW-SECBINFHSA-N 1 2 292.343 -1.049 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)c2nccnc2N)C1 ZINC001032966231 656667045 /nfs/dbraw/zinc/66/70/45/656667045.db2.gz QZVAVOHGFABUAW-SECBINFHSA-N 1 2 292.343 -1.049 20 0 CAADLO CN(C(=O)[C@@H]1COCCO1)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001032921680 656667128 /nfs/dbraw/zinc/66/71/28/656667128.db2.gz RBXCNBFNGUZPOJ-UWVGGRQHSA-N 1 2 271.317 -1.580 20 0 CAADLO CN(C(=O)[C@@H]1COCCO1)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001032921680 656667135 /nfs/dbraw/zinc/66/71/35/656667135.db2.gz RBXCNBFNGUZPOJ-UWVGGRQHSA-N 1 2 271.317 -1.580 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2COCCO2)C1 ZINC001032925652 656667150 /nfs/dbraw/zinc/66/71/50/656667150.db2.gz OROJYLCDMNIOPY-MNOVXSKESA-N 1 2 285.344 -1.320 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2COCCO2)C1 ZINC001032925652 656667160 /nfs/dbraw/zinc/66/71/60/656667160.db2.gz OROJYLCDMNIOPY-MNOVXSKESA-N 1 2 285.344 -1.320 20 0 CAADLO CN(C(=O)[C@H]1CCC(=O)N1)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001032964771 656667493 /nfs/dbraw/zinc/66/74/93/656667493.db2.gz ROYQJQYSGDDMJI-DTWKUNHWSA-N 1 2 268.317 -1.717 20 0 CAADLO CN(C(=O)[C@H]1CCC(=O)N1)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001032964771 656667502 /nfs/dbraw/zinc/66/75/02/656667502.db2.gz ROYQJQYSGDDMJI-DTWKUNHWSA-N 1 2 268.317 -1.717 20 0 CAADLO CN(C(=O)[C@@H]1COCCO1)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001032921684 656667797 /nfs/dbraw/zinc/66/77/97/656667797.db2.gz RBXCNBFNGUZPOJ-ZJUUUORDSA-N 1 2 271.317 -1.580 20 0 CAADLO CN(C(=O)[C@@H]1COCCO1)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001032921684 656667802 /nfs/dbraw/zinc/66/78/02/656667802.db2.gz RBXCNBFNGUZPOJ-ZJUUUORDSA-N 1 2 271.317 -1.580 20 0 CAADLO CN(C(=O)Cc1cnn(C)c1)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001032945280 656668790 /nfs/dbraw/zinc/66/87/90/656668790.db2.gz DJYPANTVQSRZLO-LLVKDONJSA-N 1 2 279.344 -1.019 20 0 CAADLO CN(C(=O)Cc1cnn(C)c1)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001032945280 656668798 /nfs/dbraw/zinc/66/87/98/656668798.db2.gz DJYPANTVQSRZLO-LLVKDONJSA-N 1 2 279.344 -1.019 20 0 CAADLO CN(C(=O)Cc1cc[nH]n1)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001032982442 656669677 /nfs/dbraw/zinc/66/96/77/656669677.db2.gz SVGJCTZLNBUUSW-JTQLQIEISA-N 1 2 265.317 -1.030 20 0 CAADLO CN(C(=O)Cc1cc[nH]n1)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001032982442 656669684 /nfs/dbraw/zinc/66/96/84/656669684.db2.gz SVGJCTZLNBUUSW-JTQLQIEISA-N 1 2 265.317 -1.030 20 0 CAADLO CN(C(=O)[C@@H]1C[N@H+](C)CCO1)[C@H]1CCN(CC(N)=O)C1 ZINC001032978089 656669756 /nfs/dbraw/zinc/66/97/56/656669756.db2.gz XBXFXSPGHYKPGI-QWRGUYRKSA-N 1 2 284.360 -1.665 20 0 CAADLO CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)[C@H]1CCN(CC(N)=O)C1 ZINC001032978089 656669758 /nfs/dbraw/zinc/66/97/58/656669758.db2.gz XBXFXSPGHYKPGI-QWRGUYRKSA-N 1 2 284.360 -1.665 20 0 CAADLO Cc1c(C(=O)N(C)[C@@H]2CC[N@H+](CC(N)=O)C2)nnn1C ZINC001032983626 656670632 /nfs/dbraw/zinc/67/06/32/656670632.db2.gz CAEGMPDUMWOTOZ-SECBINFHSA-N 1 2 280.332 -1.245 20 0 CAADLO Cc1c(C(=O)N(C)[C@@H]2CC[N@@H+](CC(N)=O)C2)nnn1C ZINC001032983626 656670636 /nfs/dbraw/zinc/67/06/36/656670636.db2.gz CAEGMPDUMWOTOZ-SECBINFHSA-N 1 2 280.332 -1.245 20 0 CAADLO Cc1c(C(=O)N(C)[C@H]2CC[N@H+](CC(N)=O)C2)nnn1C ZINC001032983627 656671247 /nfs/dbraw/zinc/67/12/47/656671247.db2.gz CAEGMPDUMWOTOZ-VIFPVBQESA-N 1 2 280.332 -1.245 20 0 CAADLO Cc1c(C(=O)N(C)[C@H]2CC[N@@H+](CC(N)=O)C2)nnn1C ZINC001032983627 656671255 /nfs/dbraw/zinc/67/12/55/656671255.db2.gz CAEGMPDUMWOTOZ-VIFPVBQESA-N 1 2 280.332 -1.245 20 0 CAADLO CN(C(=O)[C@@H]1C[N@H+](C)CCO1)[C@@H]1CCN(CC(N)=O)C1 ZINC001032978020 656671411 /nfs/dbraw/zinc/67/14/11/656671411.db2.gz XBXFXSPGHYKPGI-MNOVXSKESA-N 1 2 284.360 -1.665 20 0 CAADLO CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)[C@@H]1CCN(CC(N)=O)C1 ZINC001032978020 656671420 /nfs/dbraw/zinc/67/14/20/656671420.db2.gz XBXFXSPGHYKPGI-MNOVXSKESA-N 1 2 284.360 -1.665 20 0 CAADLO CN(C(=O)[C@H]1CCNC(=O)C1)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001032994890 656671517 /nfs/dbraw/zinc/67/15/17/656671517.db2.gz XFECBHMSAKDTDO-VHSXEESVSA-N 1 2 282.344 -1.469 20 0 CAADLO CN(C(=O)[C@H]1CCNC(=O)C1)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001032994890 656671522 /nfs/dbraw/zinc/67/15/22/656671522.db2.gz XFECBHMSAKDTDO-VHSXEESVSA-N 1 2 282.344 -1.469 20 0 CAADLO C[C@H](C(=O)N(C)[C@H]1CC[N@H+](CC(N)=O)C1)n1cncn1 ZINC001033022068 656673166 /nfs/dbraw/zinc/67/31/66/656673166.db2.gz QLYYNEOHVSAKEV-ZJUUUORDSA-N 1 2 280.332 -1.143 20 0 CAADLO C[C@H](C(=O)N(C)[C@H]1CC[N@@H+](CC(N)=O)C1)n1cncn1 ZINC001033022068 656673185 /nfs/dbraw/zinc/67/31/85/656673185.db2.gz QLYYNEOHVSAKEV-ZJUUUORDSA-N 1 2 280.332 -1.143 20 0 CAADLO CN(C(=O)c1cc(=O)n(C)o1)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001033041962 656676004 /nfs/dbraw/zinc/67/60/04/656676004.db2.gz RBGDNKVJZHFDBT-MRVPVSSYSA-N 1 2 282.300 -1.390 20 0 CAADLO CN(C(=O)c1cc(=O)n(C)o1)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033041962 656676016 /nfs/dbraw/zinc/67/60/16/656676016.db2.gz RBGDNKVJZHFDBT-MRVPVSSYSA-N 1 2 282.300 -1.390 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CC[C@@H](N(C)C(=O)c2cnnn2C)C1 ZINC001033048917 656676057 /nfs/dbraw/zinc/67/60/57/656676057.db2.gz VLWCTYUTYNSVAL-RKDXNWHRSA-N 1 2 280.332 -1.165 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CC[C@@H](N(C)C(=O)c2cnnn2C)C1 ZINC001033048917 656676063 /nfs/dbraw/zinc/67/60/63/656676063.db2.gz VLWCTYUTYNSVAL-RKDXNWHRSA-N 1 2 280.332 -1.165 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CC[C@H](N(C)C(=O)c2cnnn2C)C1 ZINC001033048911 656677166 /nfs/dbraw/zinc/67/71/66/656677166.db2.gz VLWCTYUTYNSVAL-BDAKNGLRSA-N 1 2 280.332 -1.165 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CC[C@H](N(C)C(=O)c2cnnn2C)C1 ZINC001033048911 656677173 /nfs/dbraw/zinc/67/71/73/656677173.db2.gz VLWCTYUTYNSVAL-BDAKNGLRSA-N 1 2 280.332 -1.165 20 0 CAADLO CN(C(=O)c1cn(C)nn1)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001033053902 656679083 /nfs/dbraw/zinc/67/90/83/656679083.db2.gz DLRHLVBDQHCIQR-QMMMGPOBSA-N 1 2 266.305 -1.553 20 0 CAADLO CN(C(=O)c1cn(C)nn1)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033053902 656679095 /nfs/dbraw/zinc/67/90/95/656679095.db2.gz DLRHLVBDQHCIQR-QMMMGPOBSA-N 1 2 266.305 -1.553 20 0 CAADLO CN(C(=O)c1ncn(C)n1)[C@@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001033061349 656680063 /nfs/dbraw/zinc/68/00/63/656680063.db2.gz KKWRSXVSFVHFGV-NXEZZACHSA-N 1 2 292.343 -1.150 20 0 CAADLO CN(C(=O)c1ncn(C)n1)[C@@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001033061349 656680071 /nfs/dbraw/zinc/68/00/71/656680071.db2.gz KKWRSXVSFVHFGV-NXEZZACHSA-N 1 2 292.343 -1.150 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)c2cn(C)nn2)C1 ZINC001033054999 656680154 /nfs/dbraw/zinc/68/01/54/656680154.db2.gz SUTMBVFRJJHUPA-VIFPVBQESA-N 1 2 280.332 -1.293 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](N(C)C(=O)c2cn(C)nn2)C1 ZINC001033054999 656680164 /nfs/dbraw/zinc/68/01/64/656680164.db2.gz SUTMBVFRJJHUPA-VIFPVBQESA-N 1 2 280.332 -1.293 20 0 CAADLO CCn1nncc1C(=O)N(C)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001033059011 656680341 /nfs/dbraw/zinc/68/03/41/656680341.db2.gz YNBCYCDKEZCDSJ-VIFPVBQESA-N 1 2 280.332 -1.070 20 0 CAADLO CCn1nncc1C(=O)N(C)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033059011 656680355 /nfs/dbraw/zinc/68/03/55/656680355.db2.gz YNBCYCDKEZCDSJ-VIFPVBQESA-N 1 2 280.332 -1.070 20 0 CAADLO Cc1nnc(CC(=O)N(C)[C@H]2CC[N@H+](CC(N)=O)C2)[nH]1 ZINC001033073266 656680942 /nfs/dbraw/zinc/68/09/42/656680942.db2.gz WVIKKJFCUADPGM-VIFPVBQESA-N 1 2 280.332 -1.326 20 0 CAADLO Cc1nnc(CC(=O)N(C)[C@H]2CC[N@@H+](CC(N)=O)C2)[nH]1 ZINC001033073266 656680947 /nfs/dbraw/zinc/68/09/47/656680947.db2.gz WVIKKJFCUADPGM-VIFPVBQESA-N 1 2 280.332 -1.326 20 0 CAADLO C[C@H]1CC(=O)N[C@@H](C(=O)N(C)[C@@H]2CC[N@H+](CC(N)=O)C2)C1 ZINC001033085770 656681013 /nfs/dbraw/zinc/68/10/13/656681013.db2.gz WXSCVZDPFMLCJW-GMTAPVOTSA-N 1 2 296.371 -1.081 20 0 CAADLO C[C@H]1CC(=O)N[C@@H](C(=O)N(C)[C@@H]2CC[N@@H+](CC(N)=O)C2)C1 ZINC001033085770 656681024 /nfs/dbraw/zinc/68/10/24/656681024.db2.gz WXSCVZDPFMLCJW-GMTAPVOTSA-N 1 2 296.371 -1.081 20 0 CAADLO CN(C(=O)Cn1ncnn1)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001033088555 656682178 /nfs/dbraw/zinc/68/21/78/656682178.db2.gz VUPWEEJZDFRXPE-MRVPVSSYSA-N 1 2 267.293 -2.309 20 0 CAADLO CN(C(=O)Cn1ncnn1)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033088555 656682201 /nfs/dbraw/zinc/68/22/01/656682201.db2.gz VUPWEEJZDFRXPE-MRVPVSSYSA-N 1 2 267.293 -2.309 20 0 CAADLO CN(C(=O)Cc1ccn(C)n1)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001033075821 656682469 /nfs/dbraw/zinc/68/24/69/656682469.db2.gz PWNHNOZNCOFAGG-LLVKDONJSA-N 1 2 279.344 -1.019 20 0 CAADLO CN(C(=O)Cc1ccn(C)n1)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033075821 656682478 /nfs/dbraw/zinc/68/24/78/656682478.db2.gz PWNHNOZNCOFAGG-LLVKDONJSA-N 1 2 279.344 -1.019 20 0 CAADLO CCN1C[C@H](C(=O)N(C)[C@H]2CC[N@H+](CC(N)=O)C2)CC1=O ZINC001033122839 656688768 /nfs/dbraw/zinc/68/87/68/656688768.db2.gz HNWCKCZYAWAMKR-MNOVXSKESA-N 1 2 296.371 -1.127 20 0 CAADLO CCN1C[C@H](C(=O)N(C)[C@H]2CC[N@@H+](CC(N)=O)C2)CC1=O ZINC001033122839 656688773 /nfs/dbraw/zinc/68/87/73/656688773.db2.gz HNWCKCZYAWAMKR-MNOVXSKESA-N 1 2 296.371 -1.127 20 0 CAADLO CN(C(=O)C[C@@H]1NC(=O)NC1=O)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001033158442 656689831 /nfs/dbraw/zinc/68/98/31/656689831.db2.gz ZFFPXQUXQDQAAV-SFYZADRCSA-N 1 2 297.315 -2.398 20 0 CAADLO CN(C(=O)C[C@@H]1NC(=O)NC1=O)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033158442 656689845 /nfs/dbraw/zinc/68/98/45/656689845.db2.gz ZFFPXQUXQDQAAV-SFYZADRCSA-N 1 2 297.315 -2.398 20 0 CAADLO CN(C(=O)CN1CCOCC1=O)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001033152048 656690098 /nfs/dbraw/zinc/69/00/98/656690098.db2.gz JRJWNUFPHLOABR-JTQLQIEISA-N 1 2 298.343 -2.137 20 0 CAADLO CN(C(=O)CN1CCOCC1=O)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033152048 656690108 /nfs/dbraw/zinc/69/01/08/656690108.db2.gz JRJWNUFPHLOABR-JTQLQIEISA-N 1 2 298.343 -2.137 20 0 CAADLO CN(C(=O)c1cnc[nH]c1=O)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001033179208 656691157 /nfs/dbraw/zinc/69/11/57/656691157.db2.gz KUXLVVNUDQBURA-QMMMGPOBSA-N 1 2 279.300 -1.186 20 0 CAADLO CN(C(=O)c1cnc[nH]c1=O)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033179208 656691171 /nfs/dbraw/zinc/69/11/71/656691171.db2.gz KUXLVVNUDQBURA-QMMMGPOBSA-N 1 2 279.300 -1.186 20 0 CAADLO CN(C(=O)[C@@]1(C)CCNC(=O)C1)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001033192753 656692134 /nfs/dbraw/zinc/69/21/34/656692134.db2.gz PYELBWBPFORPMK-HZMBPMFUSA-N 1 2 296.371 -1.079 20 0 CAADLO CN(C(=O)[C@@]1(C)CCNC(=O)C1)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033192753 656692137 /nfs/dbraw/zinc/69/21/37/656692137.db2.gz PYELBWBPFORPMK-HZMBPMFUSA-N 1 2 296.371 -1.079 20 0 CAADLO CN(C(=O)[C@]1(C)CCNC(=O)C1)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001033192755 656692809 /nfs/dbraw/zinc/69/28/09/656692809.db2.gz PYELBWBPFORPMK-QMTHXVAHSA-N 1 2 296.371 -1.079 20 0 CAADLO CN(C(=O)[C@]1(C)CCNC(=O)C1)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033192755 656692815 /nfs/dbraw/zinc/69/28/15/656692815.db2.gz PYELBWBPFORPMK-QMTHXVAHSA-N 1 2 296.371 -1.079 20 0 CAADLO CN(C(=O)c1cn[nH]n1)[C@@H]1CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001033223415 656693448 /nfs/dbraw/zinc/69/34/48/656693448.db2.gz WPSAKXUSDKIMLD-SCZZXKLOSA-N 1 2 278.316 -1.161 20 0 CAADLO CN(C(=O)c1cn[nH]n1)[C@@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001033223415 656693467 /nfs/dbraw/zinc/69/34/67/656693467.db2.gz WPSAKXUSDKIMLD-SCZZXKLOSA-N 1 2 278.316 -1.161 20 0 CAADLO C[C@H]1CCN(C(=O)C(N)=O)C[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001004989556 656694109 /nfs/dbraw/zinc/69/41/09/656694109.db2.gz JHDMEQAAKZWWHV-VHSXEESVSA-N 1 2 293.327 -1.278 20 0 CAADLO CN(C(=O)[C@@H]1CCC(=O)NC1)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001033220771 656694670 /nfs/dbraw/zinc/69/46/70/656694670.db2.gz IRZKSGNOHOTSTG-NXEZZACHSA-N 1 2 282.344 -1.469 20 0 CAADLO CN(C(=O)[C@@H]1CCC(=O)NC1)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033220771 656694704 /nfs/dbraw/zinc/69/47/04/656694704.db2.gz IRZKSGNOHOTSTG-NXEZZACHSA-N 1 2 282.344 -1.469 20 0 CAADLO CN(C(=O)[C@@H]1CCN(C)C(=O)C1)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001033202353 656695075 /nfs/dbraw/zinc/69/50/75/656695075.db2.gz FXNQMNVMBWBGCT-GHMZBOCLSA-N 1 2 296.371 -1.127 20 0 CAADLO CN(C(=O)[C@@H]1CCN(C)C(=O)C1)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033202353 656695084 /nfs/dbraw/zinc/69/50/84/656695084.db2.gz FXNQMNVMBWBGCT-GHMZBOCLSA-N 1 2 296.371 -1.127 20 0 CAADLO CCN1CCOC[C@@H]1C(=O)N(C)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001033212310 656696091 /nfs/dbraw/zinc/69/60/91/656696091.db2.gz RBHHWUYWWKNTCR-NWDGAFQWSA-N 1 2 298.387 -1.275 20 0 CAADLO CCN1CCOC[C@@H]1C(=O)N(C)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033212310 656696109 /nfs/dbraw/zinc/69/61/09/656696109.db2.gz RBHHWUYWWKNTCR-NWDGAFQWSA-N 1 2 298.387 -1.275 20 0 CAADLO CCN1CCOC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001033212309 656696342 /nfs/dbraw/zinc/69/63/42/656696342.db2.gz RBHHWUYWWKNTCR-NEPJUHHUSA-N 1 2 298.387 -1.275 20 0 CAADLO CCN1CCOC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033212309 656696360 /nfs/dbraw/zinc/69/63/60/656696360.db2.gz RBHHWUYWWKNTCR-NEPJUHHUSA-N 1 2 298.387 -1.275 20 0 CAADLO CN(C(=O)c1cn[nH]n1)[C@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001033223417 656696915 /nfs/dbraw/zinc/69/69/15/656696915.db2.gz WPSAKXUSDKIMLD-WCBMZHEXSA-N 1 2 278.316 -1.161 20 0 CAADLO CN(C(=O)c1cn[nH]n1)[C@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001033223417 656696918 /nfs/dbraw/zinc/69/69/18/656696918.db2.gz WPSAKXUSDKIMLD-WCBMZHEXSA-N 1 2 278.316 -1.161 20 0 CAADLO CN(C(=O)Cn1ncn(C)c1=O)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001033207089 656696991 /nfs/dbraw/zinc/69/69/91/656696991.db2.gz LUGQSNBGNCDLTI-VIFPVBQESA-N 1 2 296.331 -2.400 20 0 CAADLO CN(C(=O)Cn1ncn(C)c1=O)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033207089 656697003 /nfs/dbraw/zinc/69/70/03/656697003.db2.gz LUGQSNBGNCDLTI-VIFPVBQESA-N 1 2 296.331 -2.400 20 0 CAADLO C[C@@H]1CCN(C(=O)C(N)=O)C[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001004989553 656697550 /nfs/dbraw/zinc/69/75/50/656697550.db2.gz JHDMEQAAKZWWHV-NXEZZACHSA-N 1 2 293.327 -1.278 20 0 CAADLO CN(C(=O)[C@H]1CCN(C)C(=O)C1)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001033202355 656697739 /nfs/dbraw/zinc/69/77/39/656697739.db2.gz FXNQMNVMBWBGCT-QWRGUYRKSA-N 1 2 296.371 -1.127 20 0 CAADLO CN(C(=O)[C@H]1CCN(C)C(=O)C1)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033202355 656697753 /nfs/dbraw/zinc/69/77/53/656697753.db2.gz FXNQMNVMBWBGCT-QWRGUYRKSA-N 1 2 296.371 -1.127 20 0 CAADLO CN(C(=O)[C@@H]1CCS(=O)(=O)C1)[C@H]1CC[N@H+](CCO)C1 ZINC001033245784 656698903 /nfs/dbraw/zinc/69/89/03/656698903.db2.gz BMZZWKMGLKQDIE-MNOVXSKESA-N 1 2 290.385 -1.054 20 0 CAADLO CN(C(=O)[C@@H]1CCS(=O)(=O)C1)[C@H]1CC[N@@H+](CCO)C1 ZINC001033245784 656698909 /nfs/dbraw/zinc/69/89/09/656698909.db2.gz BMZZWKMGLKQDIE-MNOVXSKESA-N 1 2 290.385 -1.054 20 0 CAADLO CCn1cc(CC(=O)N(C)[C@@H]2CC[N@H+](CC(N)=O)C2)nn1 ZINC001033286042 656702698 /nfs/dbraw/zinc/70/26/98/656702698.db2.gz AOXSIXYUQQOVFF-LLVKDONJSA-N 1 2 294.359 -1.142 20 0 CAADLO CCn1cc(CC(=O)N(C)[C@@H]2CC[N@@H+](CC(N)=O)C2)nn1 ZINC001033286042 656702713 /nfs/dbraw/zinc/70/27/13/656702713.db2.gz AOXSIXYUQQOVFF-LLVKDONJSA-N 1 2 294.359 -1.142 20 0 CAADLO CN(C(=O)[C@@H]1CCNC(=O)CC1)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001033300232 656703009 /nfs/dbraw/zinc/70/30/09/656703009.db2.gz YSJUUZBLBAQYKN-QWRGUYRKSA-N 1 2 296.371 -1.079 20 0 CAADLO CN(C(=O)[C@@H]1CCNC(=O)CC1)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033300232 656703018 /nfs/dbraw/zinc/70/30/18/656703018.db2.gz YSJUUZBLBAQYKN-QWRGUYRKSA-N 1 2 296.371 -1.079 20 0 CAADLO CN(C(=O)[C@H]1CNC(=O)N1)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033381105 656707347 /nfs/dbraw/zinc/70/73/47/656707347.db2.gz VKQMIKZNMYRKQO-HTQZYQBOSA-N 1 2 269.305 -2.314 20 0 CAADLO CN(C(=O)[C@H]1CNC(=O)N1)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001033381105 656707340 /nfs/dbraw/zinc/70/73/40/656707340.db2.gz VKQMIKZNMYRKQO-HTQZYQBOSA-N 1 2 269.305 -2.314 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+]1CC[C@H](N(C)C(=O)c2nnn(C)n2)C1 ZINC001033343406 656707386 /nfs/dbraw/zinc/70/73/86/656707386.db2.gz DUCRZUCNFHCZFT-IUCAKERBSA-N 1 2 295.347 -1.509 20 0 CAADLO CNC(=O)[C@H](C)[N@H+]1CC[C@H](N(C)C(=O)c2nnn(C)n2)C1 ZINC001033343406 656707401 /nfs/dbraw/zinc/70/74/01/656707401.db2.gz DUCRZUCNFHCZFT-IUCAKERBSA-N 1 2 295.347 -1.509 20 0 CAADLO CN(C(=O)[C@@H]1CCN(C)C1=O)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001033341394 656707768 /nfs/dbraw/zinc/70/77/68/656707768.db2.gz OWIDVYGLWWLHRI-VHSXEESVSA-N 1 2 282.344 -1.517 20 0 CAADLO CN(C(=O)[C@@H]1CCN(C)C1=O)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033341394 656707773 /nfs/dbraw/zinc/70/77/73/656707773.db2.gz OWIDVYGLWWLHRI-VHSXEESVSA-N 1 2 282.344 -1.517 20 0 CAADLO CN(C(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)C(N)=O)C1)C1CC1 ZINC001033379496 656708580 /nfs/dbraw/zinc/70/85/80/656708580.db2.gz VIEMOUNIYOZNEB-SNVBAGLBSA-N 1 2 282.344 -1.375 20 0 CAADLO CN(C(=O)C[N@H+]1CC[C@@H](N(C)C(=O)C(N)=O)C1)C1CC1 ZINC001033379496 656708591 /nfs/dbraw/zinc/70/85/91/656708591.db2.gz VIEMOUNIYOZNEB-SNVBAGLBSA-N 1 2 282.344 -1.375 20 0 CAADLO CN(C(=O)[C@H]1CCN(C)C1=O)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001033341395 656708669 /nfs/dbraw/zinc/70/86/69/656708669.db2.gz OWIDVYGLWWLHRI-ZJUUUORDSA-N 1 2 282.344 -1.517 20 0 CAADLO CN(C(=O)[C@H]1CCN(C)C1=O)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033341395 656708671 /nfs/dbraw/zinc/70/86/71/656708671.db2.gz OWIDVYGLWWLHRI-ZJUUUORDSA-N 1 2 282.344 -1.517 20 0 CAADLO CN(C(=O)c1nnn(C)n1)[C@H]1CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001033340479 656709399 /nfs/dbraw/zinc/70/93/99/656709399.db2.gz GSWTYVBCYAWAOA-IUCAKERBSA-N 1 2 293.331 -1.755 20 0 CAADLO CN(C(=O)c1nnn(C)n1)[C@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001033340479 656709411 /nfs/dbraw/zinc/70/94/11/656709411.db2.gz GSWTYVBCYAWAOA-IUCAKERBSA-N 1 2 293.331 -1.755 20 0 CAADLO CN(C(=O)c1nnn(C)n1)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001033341266 656709484 /nfs/dbraw/zinc/70/94/84/656709484.db2.gz PUUZPEFVTLSGDI-ZETCQYMHSA-N 1 2 267.293 -2.158 20 0 CAADLO CN(C(=O)c1nnn(C)n1)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033341266 656709491 /nfs/dbraw/zinc/70/94/91/656709491.db2.gz PUUZPEFVTLSGDI-ZETCQYMHSA-N 1 2 267.293 -2.158 20 0 CAADLO CN(C(=O)[C@H]1CNC(=O)N1)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001033381107 656709732 /nfs/dbraw/zinc/70/97/32/656709732.db2.gz VKQMIKZNMYRKQO-JGVFFNPUSA-N 1 2 269.305 -2.314 20 0 CAADLO CN(C(=O)[C@H]1CNC(=O)N1)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033381107 656709738 /nfs/dbraw/zinc/70/97/38/656709738.db2.gz VKQMIKZNMYRKQO-JGVFFNPUSA-N 1 2 269.305 -2.314 20 0 CAADLO CN(C(=O)C(N)=O)[C@@H]1CC[N@H+](CC(=O)N2CCOCC2)C1 ZINC001033377648 656710122 /nfs/dbraw/zinc/71/01/22/656710122.db2.gz CBPVAGCNHSZTNK-SNVBAGLBSA-N 1 2 298.343 -2.137 20 0 CAADLO CN(C(=O)C(N)=O)[C@@H]1CC[N@@H+](CC(=O)N2CCOCC2)C1 ZINC001033377648 656710136 /nfs/dbraw/zinc/71/01/36/656710136.db2.gz CBPVAGCNHSZTNK-SNVBAGLBSA-N 1 2 298.343 -2.137 20 0 CAADLO CN(C(=O)C(N)=O)[C@H]1CC[N@H+](CC(=O)N2CCCC2)C1 ZINC001033377663 656710529 /nfs/dbraw/zinc/71/05/29/656710529.db2.gz CPIDTIPITVCORP-JTQLQIEISA-N 1 2 282.344 -1.373 20 0 CAADLO CN(C(=O)C(N)=O)[C@H]1CC[N@@H+](CC(=O)N2CCCC2)C1 ZINC001033377663 656710534 /nfs/dbraw/zinc/71/05/34/656710534.db2.gz CPIDTIPITVCORP-JTQLQIEISA-N 1 2 282.344 -1.373 20 0 CAADLO CN(C(=O)C(N)=O)[C@@H]1CC[N@H+](CC(=O)N2CCCC2)C1 ZINC001033377664 656710621 /nfs/dbraw/zinc/71/06/21/656710621.db2.gz CPIDTIPITVCORP-SNVBAGLBSA-N 1 2 282.344 -1.373 20 0 CAADLO CN(C(=O)C(N)=O)[C@@H]1CC[N@@H+](CC(=O)N2CCCC2)C1 ZINC001033377664 656710625 /nfs/dbraw/zinc/71/06/25/656710625.db2.gz CPIDTIPITVCORP-SNVBAGLBSA-N 1 2 282.344 -1.373 20 0 CAADLO CN(C(=O)c1c[nH]c(=O)cn1)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001033373632 656710740 /nfs/dbraw/zinc/71/07/40/656710740.db2.gz SSHZYLKTSQVGDV-MRVPVSSYSA-N 1 2 279.300 -1.599 20 0 CAADLO CN(C(=O)c1c[nH]c(=O)cn1)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033373632 656710745 /nfs/dbraw/zinc/71/07/45/656710745.db2.gz SSHZYLKTSQVGDV-MRVPVSSYSA-N 1 2 279.300 -1.599 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+]1CC[C@H](N(C)C(=O)C(N)=O)C1 ZINC001033375129 656710830 /nfs/dbraw/zinc/71/08/30/656710830.db2.gz CBYHEOPKKAEAFU-SFYZADRCSA-N 1 2 256.306 -1.861 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+]1CC[C@H](N(C)C(=O)C(N)=O)C1 ZINC001033375129 656710837 /nfs/dbraw/zinc/71/08/37/656710837.db2.gz CBYHEOPKKAEAFU-SFYZADRCSA-N 1 2 256.306 -1.861 20 0 CAADLO CN(C(=O)C(N)=O)[C@H]1CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001033376681 656711095 /nfs/dbraw/zinc/71/10/95/656711095.db2.gz SSUSUZGYZLMTQX-YUMQZZPRSA-N 1 2 254.290 -2.107 20 0 CAADLO CN(C(=O)C(N)=O)[C@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001033376681 656711101 /nfs/dbraw/zinc/71/11/01/656711101.db2.gz SSUSUZGYZLMTQX-YUMQZZPRSA-N 1 2 254.290 -2.107 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+]1CC[C@H](N(C)C(=O)C(N)=O)C1 ZINC001033375132 656711574 /nfs/dbraw/zinc/71/15/74/656711574.db2.gz CBYHEOPKKAEAFU-YUMQZZPRSA-N 1 2 256.306 -1.861 20 0 CAADLO CNC(=O)[C@H](C)[N@H+]1CC[C@H](N(C)C(=O)C(N)=O)C1 ZINC001033375132 656711577 /nfs/dbraw/zinc/71/15/77/656711577.db2.gz CBYHEOPKKAEAFU-YUMQZZPRSA-N 1 2 256.306 -1.861 20 0 CAADLO CN(C(=O)C(N)=O)[C@H]1CC[N@H+](Cc2ccnn2C)C1 ZINC001033379072 656712488 /nfs/dbraw/zinc/71/24/88/656712488.db2.gz RDDOAPHVIAQRIV-VIFPVBQESA-N 1 2 265.317 -1.062 20 0 CAADLO CN(C(=O)C(N)=O)[C@H]1CC[N@@H+](Cc2ccnn2C)C1 ZINC001033379072 656712495 /nfs/dbraw/zinc/71/24/95/656712495.db2.gz RDDOAPHVIAQRIV-VIFPVBQESA-N 1 2 265.317 -1.062 20 0 CAADLO CN(C(=O)[C@]1(C)CCNC1=O)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001033421387 656712942 /nfs/dbraw/zinc/71/29/42/656712942.db2.gz NVDLPCRUHNDQTE-TVQRCGJNSA-N 1 2 282.344 -1.469 20 0 CAADLO CN(C(=O)[C@]1(C)CCNC1=O)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033421387 656712946 /nfs/dbraw/zinc/71/29/46/656712946.db2.gz NVDLPCRUHNDQTE-TVQRCGJNSA-N 1 2 282.344 -1.469 20 0 CAADLO CN(C(=O)C(N)=O)[C@H]1CC[N@H+](Cc2cncn2C)C1 ZINC001033378978 656712998 /nfs/dbraw/zinc/71/29/98/656712998.db2.gz QEQGAFZVQDFXHJ-VIFPVBQESA-N 1 2 265.317 -1.062 20 0 CAADLO CN(C(=O)C(N)=O)[C@H]1CC[N@@H+](Cc2cncn2C)C1 ZINC001033378978 656713003 /nfs/dbraw/zinc/71/30/03/656713003.db2.gz QEQGAFZVQDFXHJ-VIFPVBQESA-N 1 2 265.317 -1.062 20 0 CAADLO C[C@@H](C(=O)NC1CC1)[N@@H+]1CC[C@H](N(C)C(=O)C(N)=O)C1 ZINC001033386814 656713142 /nfs/dbraw/zinc/71/31/42/656713142.db2.gz WIJMUYROAOSUHY-WPRPVWTQSA-N 1 2 282.344 -1.329 20 0 CAADLO C[C@@H](C(=O)NC1CC1)[N@H+]1CC[C@H](N(C)C(=O)C(N)=O)C1 ZINC001033386814 656713150 /nfs/dbraw/zinc/71/31/50/656713150.db2.gz WIJMUYROAOSUHY-WPRPVWTQSA-N 1 2 282.344 -1.329 20 0 CAADLO CN(C(=O)[C@]1(C)CCC(=O)N1)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001033389258 656713377 /nfs/dbraw/zinc/71/33/77/656713377.db2.gz LLAIERRPDZFGOF-ZANVPECISA-N 1 2 282.344 -1.327 20 0 CAADLO CN(C(=O)[C@]1(C)CCC(=O)N1)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033389258 656713382 /nfs/dbraw/zinc/71/33/82/656713382.db2.gz LLAIERRPDZFGOF-ZANVPECISA-N 1 2 282.344 -1.327 20 0 CAADLO CN(C(=O)[C@@]1(C)CCNC1=O)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001033421386 656713953 /nfs/dbraw/zinc/71/39/53/656713953.db2.gz NVDLPCRUHNDQTE-RNCFNFMXSA-N 1 2 282.344 -1.469 20 0 CAADLO CN(C(=O)[C@@]1(C)CCNC1=O)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033421386 656713958 /nfs/dbraw/zinc/71/39/58/656713958.db2.gz NVDLPCRUHNDQTE-RNCFNFMXSA-N 1 2 282.344 -1.469 20 0 CAADLO C[C@@H](C(=O)NC1CC1)[N@@H+]1CC[C@@H](N(C)C(=O)C(N)=O)C1 ZINC001033386812 656714106 /nfs/dbraw/zinc/71/41/06/656714106.db2.gz WIJMUYROAOSUHY-WCBMZHEXSA-N 1 2 282.344 -1.329 20 0 CAADLO C[C@@H](C(=O)NC1CC1)[N@H+]1CC[C@@H](N(C)C(=O)C(N)=O)C1 ZINC001033386812 656714111 /nfs/dbraw/zinc/71/41/11/656714111.db2.gz WIJMUYROAOSUHY-WCBMZHEXSA-N 1 2 282.344 -1.329 20 0 CAADLO CN(C(=O)[C@@H]1CC(=O)NC(=O)N1)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001033463237 656714632 /nfs/dbraw/zinc/71/46/32/656714632.db2.gz JORANZDSGBEGFW-YUMQZZPRSA-N 1 2 297.315 -2.398 20 0 CAADLO CN(C(=O)[C@@H]1CC(=O)NC(=O)N1)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033463237 656714643 /nfs/dbraw/zinc/71/46/43/656714643.db2.gz JORANZDSGBEGFW-YUMQZZPRSA-N 1 2 297.315 -2.398 20 0 CAADLO CN(C(=O)C1CC(=O)NC(=O)C1)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001033502218 656715286 /nfs/dbraw/zinc/71/52/86/656715286.db2.gz LJUXUKQBVSCSSH-SECBINFHSA-N 1 2 296.327 -1.943 20 0 CAADLO CN(C(=O)C1CC(=O)NC(=O)C1)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033502218 656715293 /nfs/dbraw/zinc/71/52/93/656715293.db2.gz LJUXUKQBVSCSSH-SECBINFHSA-N 1 2 296.327 -1.943 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)c2nc[nH]n2)C1 ZINC001033514389 656715727 /nfs/dbraw/zinc/71/57/27/656715727.db2.gz VVEBGGWORUBJQT-QMMMGPOBSA-N 1 2 266.305 -1.303 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](N(C)C(=O)c2nc[nH]n2)C1 ZINC001033514389 656715741 /nfs/dbraw/zinc/71/57/41/656715741.db2.gz VVEBGGWORUBJQT-QMMMGPOBSA-N 1 2 266.305 -1.303 20 0 CAADLO CN(C(=O)CN1CC(=O)NC1=O)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001033507870 656716386 /nfs/dbraw/zinc/71/63/86/656716386.db2.gz LXFKSAJPHQLCCV-MRVPVSSYSA-N 1 2 297.315 -2.444 20 0 CAADLO CN(C(=O)CN1CC(=O)NC1=O)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033507870 656716398 /nfs/dbraw/zinc/71/63/98/656716398.db2.gz LXFKSAJPHQLCCV-MRVPVSSYSA-N 1 2 297.315 -2.444 20 0 CAADLO CN(CC[N@H+](C)CCO)C(=O)[C@H]1CCCS1(=O)=O ZINC000701144814 656729563 /nfs/dbraw/zinc/72/95/63/656729563.db2.gz MZDBDXDEEZCTQJ-SNVBAGLBSA-N 1 2 278.374 -1.054 20 0 CAADLO CN(CC[N@@H+](C)CCO)C(=O)[C@H]1CCCS1(=O)=O ZINC000701144814 656729573 /nfs/dbraw/zinc/72/95/73/656729573.db2.gz MZDBDXDEEZCTQJ-SNVBAGLBSA-N 1 2 278.374 -1.054 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CC[C@@H](N(C)C(=O)c2cnn(C)n2)C1 ZINC001033495125 656716960 /nfs/dbraw/zinc/71/69/60/656716960.db2.gz OZSBCZDXLKTGAB-DTWKUNHWSA-N 1 2 280.332 -1.165 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CC[C@@H](N(C)C(=O)c2cnn(C)n2)C1 ZINC001033495125 656716962 /nfs/dbraw/zinc/71/69/62/656716962.db2.gz OZSBCZDXLKTGAB-DTWKUNHWSA-N 1 2 280.332 -1.165 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)c2cnn(C)n2)C1 ZINC001033501356 656716986 /nfs/dbraw/zinc/71/69/86/656716986.db2.gz DTGNAVHDOPCPKY-SECBINFHSA-N 1 2 280.332 -1.293 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)c2cnn(C)n2)C1 ZINC001033501356 656716988 /nfs/dbraw/zinc/71/69/88/656716988.db2.gz DTGNAVHDOPCPKY-SECBINFHSA-N 1 2 280.332 -1.293 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)c2nc[nH]n2)C1 ZINC001033514387 656717004 /nfs/dbraw/zinc/71/70/04/656717004.db2.gz VVEBGGWORUBJQT-MRVPVSSYSA-N 1 2 266.305 -1.303 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)c2nc[nH]n2)C1 ZINC001033514387 656717008 /nfs/dbraw/zinc/71/70/08/656717008.db2.gz VVEBGGWORUBJQT-MRVPVSSYSA-N 1 2 266.305 -1.303 20 0 CAADLO CN(C(=O)c1cnn(C)n1)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001033502190 656717038 /nfs/dbraw/zinc/71/70/38/656717038.db2.gz KSKQBYNGAFPBFD-MRVPVSSYSA-N 1 2 266.305 -1.553 20 0 CAADLO CN(C(=O)c1cnn(C)n1)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033502190 656717042 /nfs/dbraw/zinc/71/70/42/656717042.db2.gz KSKQBYNGAFPBFD-MRVPVSSYSA-N 1 2 266.305 -1.553 20 0 CAADLO CN(C(=O)c1nc[nH]n1)[C@H]1CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001033516983 656717770 /nfs/dbraw/zinc/71/77/70/656717770.db2.gz BDNZEPCNVJKDAR-IUCAKERBSA-N 1 2 278.316 -1.161 20 0 CAADLO CN(C(=O)c1nc[nH]n1)[C@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001033516983 656717780 /nfs/dbraw/zinc/71/77/80/656717780.db2.gz BDNZEPCNVJKDAR-IUCAKERBSA-N 1 2 278.316 -1.161 20 0 CAADLO CN(C(=O)c1nc[nH]n1)[C@@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001033516984 656717964 /nfs/dbraw/zinc/71/79/64/656717964.db2.gz BDNZEPCNVJKDAR-RKDXNWHRSA-N 1 2 278.316 -1.161 20 0 CAADLO CN(C(=O)c1nc[nH]n1)[C@@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001033516984 656717966 /nfs/dbraw/zinc/71/79/66/656717966.db2.gz BDNZEPCNVJKDAR-RKDXNWHRSA-N 1 2 278.316 -1.161 20 0 CAADLO Cc1nonc1CC(=O)N(C)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001033537438 656718223 /nfs/dbraw/zinc/71/82/23/656718223.db2.gz NETKBGQBVWOWBK-VIFPVBQESA-N 1 2 281.316 -1.061 20 0 CAADLO Cc1nonc1CC(=O)N(C)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033537438 656718231 /nfs/dbraw/zinc/71/82/31/656718231.db2.gz NETKBGQBVWOWBK-VIFPVBQESA-N 1 2 281.316 -1.061 20 0 CAADLO CN(C(=O)Cc1ncc[nH]1)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001033544122 656719257 /nfs/dbraw/zinc/71/92/57/656719257.db2.gz PTAFLQPYJKLKAC-VIFPVBQESA-N 1 2 265.317 -1.030 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)c2cnon2)C1 ZINC001033522491 656718612 /nfs/dbraw/zinc/71/86/12/656718612.db2.gz QVCYGSSWTBUQRK-MRVPVSSYSA-N 1 2 267.289 -1.038 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)c2cnon2)C1 ZINC001033522491 656718628 /nfs/dbraw/zinc/71/86/28/656718628.db2.gz QVCYGSSWTBUQRK-MRVPVSSYSA-N 1 2 267.289 -1.038 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)c2cnon2)C1 ZINC001033522492 656719078 /nfs/dbraw/zinc/71/90/78/656719078.db2.gz QVCYGSSWTBUQRK-QMMMGPOBSA-N 1 2 267.289 -1.038 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](N(C)C(=O)c2cnon2)C1 ZINC001033522492 656719093 /nfs/dbraw/zinc/71/90/93/656719093.db2.gz QVCYGSSWTBUQRK-QMMMGPOBSA-N 1 2 267.289 -1.038 20 0 CAADLO CN(C(=O)Cc1ncc[nH]1)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033544122 656719276 /nfs/dbraw/zinc/71/92/76/656719276.db2.gz PTAFLQPYJKLKAC-VIFPVBQESA-N 1 2 265.317 -1.030 20 0 CAADLO C[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1NC(=O)C(N)=O ZINC001005217529 656721210 /nfs/dbraw/zinc/72/12/10/656721210.db2.gz NXCHOOUAQMWUJI-PSASIEDQSA-N 1 2 293.327 -1.209 20 0 CAADLO CC(=O)N1CC[C@@H](C(=O)N(C)[C@@H]2CC[N@H+](CC(N)=O)C2)C1 ZINC001033618352 656722585 /nfs/dbraw/zinc/72/25/85/656722585.db2.gz CMVAFFQCKHOPCE-VXGBXAGGSA-N 1 2 296.371 -1.127 20 0 CAADLO CC(=O)N1CC[C@@H](C(=O)N(C)[C@@H]2CC[N@@H+](CC(N)=O)C2)C1 ZINC001033618352 656722600 /nfs/dbraw/zinc/72/26/00/656722600.db2.gz CMVAFFQCKHOPCE-VXGBXAGGSA-N 1 2 296.371 -1.127 20 0 CAADLO C[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1NC(=O)C(N)=O ZINC001005230570 656723956 /nfs/dbraw/zinc/72/39/56/656723956.db2.gz DZZWFQJJPWJQJN-BDAKNGLRSA-N 1 2 293.327 -1.209 20 0 CAADLO C[C@@H]1CCN(C(=O)C(N)=O)C[C@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC001005308398 656728848 /nfs/dbraw/zinc/72/88/48/656728848.db2.gz SQNBQDUKJKXZQT-PSASIEDQSA-N 1 2 293.327 -1.209 20 0 CAADLO CN(C(=O)[C@@H]1CCC(=O)N(C)C1)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001033688275 656729045 /nfs/dbraw/zinc/72/90/45/656729045.db2.gz KFBJZKYJRXJUND-MNOVXSKESA-N 1 2 296.371 -1.127 20 0 CAADLO CN(C(=O)[C@@H]1CCC(=O)N(C)C1)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033688275 656729052 /nfs/dbraw/zinc/72/90/52/656729052.db2.gz KFBJZKYJRXJUND-MNOVXSKESA-N 1 2 296.371 -1.127 20 0 CAADLO CCN(C(=O)[C@@H]1COCCO1)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001033761530 656729643 /nfs/dbraw/zinc/72/96/43/656729643.db2.gz NQKBBUIIZVPJBR-MNOVXSKESA-N 1 2 285.344 -1.190 20 0 CAADLO CCN(C(=O)[C@@H]1COCCO1)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033761530 656729654 /nfs/dbraw/zinc/72/96/54/656729654.db2.gz NQKBBUIIZVPJBR-MNOVXSKESA-N 1 2 285.344 -1.190 20 0 CAADLO CN(CC[N@H+](C)CCO)C(=O)[C@@H]1CCCS1(=O)=O ZINC000701144813 656729754 /nfs/dbraw/zinc/72/97/54/656729754.db2.gz MZDBDXDEEZCTQJ-JTQLQIEISA-N 1 2 278.374 -1.054 20 0 CAADLO CN(CC[N@@H+](C)CCO)C(=O)[C@@H]1CCCS1(=O)=O ZINC000701144813 656729760 /nfs/dbraw/zinc/72/97/60/656729760.db2.gz MZDBDXDEEZCTQJ-JTQLQIEISA-N 1 2 278.374 -1.054 20 0 CAADLO C[C@H]1CCN(C(=O)C(N)=O)C[C@@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC001005308403 656729857 /nfs/dbraw/zinc/72/98/57/656729857.db2.gz SQNBQDUKJKXZQT-WPRPVWTQSA-N 1 2 293.327 -1.209 20 0 CAADLO CCN(C(=O)[C@H]1COCCO1)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001033761532 656730039 /nfs/dbraw/zinc/73/00/39/656730039.db2.gz NQKBBUIIZVPJBR-WDEREUQCSA-N 1 2 285.344 -1.190 20 0 CAADLO CCN(C(=O)[C@H]1COCCO1)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033761532 656730042 /nfs/dbraw/zinc/73/00/42/656730042.db2.gz NQKBBUIIZVPJBR-WDEREUQCSA-N 1 2 285.344 -1.190 20 0 CAADLO CN(C(=O)[C@@H]1CCCN1C(N)=O)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001033704797 656730256 /nfs/dbraw/zinc/73/02/56/656730256.db2.gz CJYQQBONCYUQRJ-ZJUUUORDSA-N 1 2 297.359 -1.453 20 0 CAADLO CN(C(=O)[C@@H]1CCCN1C(N)=O)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033704797 656730262 /nfs/dbraw/zinc/73/02/62/656730262.db2.gz CJYQQBONCYUQRJ-ZJUUUORDSA-N 1 2 297.359 -1.453 20 0 CAADLO C[C@H]1CCN(C(=O)C(N)=O)C[C@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC001005308402 656730569 /nfs/dbraw/zinc/73/05/69/656730569.db2.gz SQNBQDUKJKXZQT-WCBMZHEXSA-N 1 2 293.327 -1.209 20 0 CAADLO Cc1nn(C)cc1CC(=O)N[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001014750645 656730755 /nfs/dbraw/zinc/73/07/55/656730755.db2.gz AMTGOBRAOXDTPL-LLVKDONJSA-N 1 2 279.344 -1.053 20 0 CAADLO Cc1nn(C)cc1CC(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001014750645 656730774 /nfs/dbraw/zinc/73/07/74/656730774.db2.gz AMTGOBRAOXDTPL-LLVKDONJSA-N 1 2 279.344 -1.053 20 0 CAADLO CCN(C(=O)C1CS(=O)(=O)C1)[C@H]1CC[N@H+](CCO)C1 ZINC001033847371 656731267 /nfs/dbraw/zinc/73/12/67/656731267.db2.gz UBHJWEDUQVVWPA-NSHDSACASA-N 1 2 290.385 -1.054 20 0 CAADLO CCN(C(=O)C1CS(=O)(=O)C1)[C@H]1CC[N@@H+](CCO)C1 ZINC001033847371 656731274 /nfs/dbraw/zinc/73/12/74/656731274.db2.gz UBHJWEDUQVVWPA-NSHDSACASA-N 1 2 290.385 -1.054 20 0 CAADLO CCN(C(=O)[C@H]1COCCN1C)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001033794875 656731295 /nfs/dbraw/zinc/73/12/95/656731295.db2.gz JQBVYZPLNBAUEE-VXGBXAGGSA-N 1 2 298.387 -1.275 20 0 CAADLO CCN(C(=O)[C@H]1COCCN1C)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033794875 656731303 /nfs/dbraw/zinc/73/13/03/656731303.db2.gz JQBVYZPLNBAUEE-VXGBXAGGSA-N 1 2 298.387 -1.275 20 0 CAADLO CCN(C(=O)[C@@H]1COC(=O)N1)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001033815031 656731415 /nfs/dbraw/zinc/73/14/15/656731415.db2.gz GXKMNEOJBANDTF-BDAKNGLRSA-N 1 2 284.316 -1.497 20 0 CAADLO CCN(C(=O)[C@@H]1COC(=O)N1)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033815031 656731418 /nfs/dbraw/zinc/73/14/18/656731418.db2.gz GXKMNEOJBANDTF-BDAKNGLRSA-N 1 2 284.316 -1.497 20 0 CAADLO CCN(C(=O)[C@@H]1C[N@H+](C)CCO1)[C@H]1CCN(CC(N)=O)C1 ZINC001033789938 656731468 /nfs/dbraw/zinc/73/14/68/656731468.db2.gz REUDOTYTOKIENC-RYUDHWBXSA-N 1 2 298.387 -1.275 20 0 CAADLO CCN(C(=O)[C@@H]1C[N@@H+](C)CCO1)[C@H]1CCN(CC(N)=O)C1 ZINC001033789938 656731476 /nfs/dbraw/zinc/73/14/76/656731476.db2.gz REUDOTYTOKIENC-RYUDHWBXSA-N 1 2 298.387 -1.275 20 0 CAADLO CCN(C(=O)[C@H]1CCCNC1=O)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001033862401 656731839 /nfs/dbraw/zinc/73/18/39/656731839.db2.gz BSLFHXBBJNCXJG-MNOVXSKESA-N 1 2 296.371 -1.079 20 0 CAADLO CCN(C(=O)[C@H]1CCCNC1=O)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033862401 656731847 /nfs/dbraw/zinc/73/18/47/656731847.db2.gz BSLFHXBBJNCXJG-MNOVXSKESA-N 1 2 296.371 -1.079 20 0 CAADLO CCN(C(=O)[C@@H]1COCCN1C)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001033794871 656732053 /nfs/dbraw/zinc/73/20/53/656732053.db2.gz JQBVYZPLNBAUEE-NEPJUHHUSA-N 1 2 298.387 -1.275 20 0 CAADLO CCN(C(=O)[C@@H]1COCCN1C)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033794871 656732057 /nfs/dbraw/zinc/73/20/57/656732057.db2.gz JQBVYZPLNBAUEE-NEPJUHHUSA-N 1 2 298.387 -1.275 20 0 CAADLO CCN(C(=O)[C@H]1C[N@H+](C)CCO1)[C@H]1CCN(CC(N)=O)C1 ZINC001033789934 656732278 /nfs/dbraw/zinc/73/22/78/656732278.db2.gz REUDOTYTOKIENC-NWDGAFQWSA-N 1 2 298.387 -1.275 20 0 CAADLO CCN(C(=O)[C@H]1C[N@@H+](C)CCO1)[C@H]1CCN(CC(N)=O)C1 ZINC001033789934 656732281 /nfs/dbraw/zinc/73/22/81/656732281.db2.gz REUDOTYTOKIENC-NWDGAFQWSA-N 1 2 298.387 -1.275 20 0 CAADLO CCN(C(=O)[C@H]1C[N@H+](C)CCO1)[C@@H]1CCN(CC(N)=O)C1 ZINC001033789943 656732298 /nfs/dbraw/zinc/73/22/98/656732298.db2.gz REUDOTYTOKIENC-VXGBXAGGSA-N 1 2 298.387 -1.275 20 0 CAADLO CCN(C(=O)[C@H]1C[N@@H+](C)CCO1)[C@@H]1CCN(CC(N)=O)C1 ZINC001033789943 656732302 /nfs/dbraw/zinc/73/23/02/656732302.db2.gz REUDOTYTOKIENC-VXGBXAGGSA-N 1 2 298.387 -1.275 20 0 CAADLO CCN(C(=O)c1nnn(C)n1)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001033920565 656732666 /nfs/dbraw/zinc/73/26/66/656732666.db2.gz UUHQUJNMSSCBAW-MRVPVSSYSA-N 1 2 281.320 -1.768 20 0 CAADLO CCN(C(=O)c1nnn(C)n1)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033920565 656732678 /nfs/dbraw/zinc/73/26/78/656732678.db2.gz UUHQUJNMSSCBAW-MRVPVSSYSA-N 1 2 281.320 -1.768 20 0 CAADLO CCN(C(=O)[C@H]1CNC(=O)N1)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001033939694 656733561 /nfs/dbraw/zinc/73/35/61/656733561.db2.gz ZPVCFFHKHOVDSQ-RKDXNWHRSA-N 1 2 283.332 -1.924 20 0 CAADLO CCN(C(=O)[C@H]1CNC(=O)N1)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033939694 656733569 /nfs/dbraw/zinc/73/35/69/656733569.db2.gz ZPVCFFHKHOVDSQ-RKDXNWHRSA-N 1 2 283.332 -1.924 20 0 CAADLO CCN(C(=O)[C@@H]1CN(C)C(=O)N1)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001033922284 656733864 /nfs/dbraw/zinc/73/38/64/656733864.db2.gz KQRMZQIGPSOAKI-UWVGGRQHSA-N 1 2 297.359 -1.582 20 0 CAADLO CCN(C(=O)[C@@H]1CN(C)C(=O)N1)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033922284 656733866 /nfs/dbraw/zinc/73/38/66/656733866.db2.gz KQRMZQIGPSOAKI-UWVGGRQHSA-N 1 2 297.359 -1.582 20 0 CAADLO CCN(C(=O)[C@@H]1CNC(=O)N1)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001033939693 656733885 /nfs/dbraw/zinc/73/38/85/656733885.db2.gz ZPVCFFHKHOVDSQ-IUCAKERBSA-N 1 2 283.332 -1.924 20 0 CAADLO CCN(C(=O)[C@@H]1CNC(=O)N1)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033939693 656733891 /nfs/dbraw/zinc/73/38/91/656733891.db2.gz ZPVCFFHKHOVDSQ-IUCAKERBSA-N 1 2 283.332 -1.924 20 0 CAADLO CCN(C(=O)[C@H]1C[C@H]1C(N)=O)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001033960473 656734463 /nfs/dbraw/zinc/73/44/63/656734463.db2.gz VFBNPEPAEUHBOC-AEJSXWLSSA-N 1 2 282.344 -1.484 20 0 CAADLO CCN(C(=O)[C@H]1C[C@H]1C(N)=O)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033960473 656734466 /nfs/dbraw/zinc/73/44/66/656734466.db2.gz VFBNPEPAEUHBOC-AEJSXWLSSA-N 1 2 282.344 -1.484 20 0 CAADLO CCN(C(=O)[C@H]1CCNC1=O)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001033921097 656734477 /nfs/dbraw/zinc/73/44/77/656734477.db2.gz ANOYGKHORSTJTI-UWVGGRQHSA-N 1 2 282.344 -1.469 20 0 CAADLO CCN(C(=O)[C@H]1CCNC1=O)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033921097 656734478 /nfs/dbraw/zinc/73/44/78/656734478.db2.gz ANOYGKHORSTJTI-UWVGGRQHSA-N 1 2 282.344 -1.469 20 0 CAADLO CCN(C(=O)[C@@H]1CCN(C)C1=O)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001033930113 656734512 /nfs/dbraw/zinc/73/45/12/656734512.db2.gz SKSODTCEGGLQGD-WDEREUQCSA-N 1 2 296.371 -1.127 20 0 CAADLO CCN(C(=O)[C@@H]1CCN(C)C1=O)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033930113 656734517 /nfs/dbraw/zinc/73/45/17/656734517.db2.gz SKSODTCEGGLQGD-WDEREUQCSA-N 1 2 296.371 -1.127 20 0 CAADLO CCN(C(=O)c1nc[nH]n1)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001033993625 656734611 /nfs/dbraw/zinc/73/46/11/656734611.db2.gz AOVAPVSRTYVHPT-MRVPVSSYSA-N 1 2 266.305 -1.174 20 0 CAADLO CCN(C(=O)c1nc[nH]n1)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033993625 656734620 /nfs/dbraw/zinc/73/46/20/656734620.db2.gz AOVAPVSRTYVHPT-MRVPVSSYSA-N 1 2 266.305 -1.174 20 0 CAADLO CCN(C(=O)[C@@H]1CCNC1=O)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001033921095 656734934 /nfs/dbraw/zinc/73/49/34/656734934.db2.gz ANOYGKHORSTJTI-NXEZZACHSA-N 1 2 282.344 -1.469 20 0 CAADLO CCN(C(=O)[C@@H]1CCNC1=O)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033921095 656734947 /nfs/dbraw/zinc/73/49/47/656734947.db2.gz ANOYGKHORSTJTI-NXEZZACHSA-N 1 2 282.344 -1.469 20 0 CAADLO CCN(C(=O)c1c[nH]c(=O)cn1)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001033935774 656735380 /nfs/dbraw/zinc/73/53/80/656735380.db2.gz KAIKYUJBHHQGHZ-VIFPVBQESA-N 1 2 293.327 -1.208 20 0 CAADLO CCN(C(=O)c1c[nH]c(=O)cn1)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033935774 656735392 /nfs/dbraw/zinc/73/53/92/656735392.db2.gz KAIKYUJBHHQGHZ-VIFPVBQESA-N 1 2 293.327 -1.208 20 0 CAADLO CCN(C(=O)[C@@H]1CN(C)C(=O)N1)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001033922292 656735685 /nfs/dbraw/zinc/73/56/85/656735685.db2.gz KQRMZQIGPSOAKI-ZJUUUORDSA-N 1 2 297.359 -1.582 20 0 CAADLO CCN(C(=O)[C@@H]1CN(C)C(=O)N1)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033922292 656735694 /nfs/dbraw/zinc/73/56/94/656735694.db2.gz KQRMZQIGPSOAKI-ZJUUUORDSA-N 1 2 297.359 -1.582 20 0 CAADLO CCN(C(=O)[C@@H]1CCC(=O)N1)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001034024657 656735809 /nfs/dbraw/zinc/73/58/09/656735809.db2.gz DRBCLTBNWGWCAP-ZJUUUORDSA-N 1 2 282.344 -1.327 20 0 CAADLO CCN(C(=O)[C@@H]1CCC(=O)N1)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001034024657 656735819 /nfs/dbraw/zinc/73/58/19/656735819.db2.gz DRBCLTBNWGWCAP-ZJUUUORDSA-N 1 2 282.344 -1.327 20 0 CAADLO Cn1cnc(C(=O)N[C@@H]2CCCC[N@H+](CC(N)=O)C2)n1 ZINC001034195856 656737116 /nfs/dbraw/zinc/73/71/16/656737116.db2.gz JRJOAOQHSMKSEQ-SECBINFHSA-N 1 2 280.332 -1.115 20 0 CAADLO Cn1cnc(C(=O)N[C@@H]2CCCC[N@@H+](CC(N)=O)C2)n1 ZINC001034195856 656737121 /nfs/dbraw/zinc/73/71/21/656737121.db2.gz JRJOAOQHSMKSEQ-SECBINFHSA-N 1 2 280.332 -1.115 20 0 CAADLO Cn1nnc(C(=O)N[C@H]2CCCC[N@H+](CC(N)=O)C2)n1 ZINC001034348201 656741627 /nfs/dbraw/zinc/74/16/27/656741627.db2.gz CHFUMUAMKWTCNO-QMMMGPOBSA-N 1 2 281.320 -1.720 20 0 CAADLO Cn1nnc(C(=O)N[C@H]2CCCC[N@@H+](CC(N)=O)C2)n1 ZINC001034348201 656741632 /nfs/dbraw/zinc/74/16/32/656741632.db2.gz CHFUMUAMKWTCNO-QMMMGPOBSA-N 1 2 281.320 -1.720 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CCCC[C@H](NC(=O)C(N)=O)C1 ZINC001034371834 656741829 /nfs/dbraw/zinc/74/18/29/656741829.db2.gz GDBNMCMSZCEBBU-SFYZADRCSA-N 1 2 256.306 -1.684 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CCCC[C@H](NC(=O)C(N)=O)C1 ZINC001034371834 656741838 /nfs/dbraw/zinc/74/18/38/656741838.db2.gz GDBNMCMSZCEBBU-SFYZADRCSA-N 1 2 256.306 -1.684 20 0 CAADLO Cn1ncc(C(=O)N[C@@H]2CCCC[N@H+](CC(N)=O)C2)n1 ZINC001034453197 656743731 /nfs/dbraw/zinc/74/37/31/656743731.db2.gz UASJMGKJNFOQGT-SECBINFHSA-N 1 2 280.332 -1.115 20 0 CAADLO Cn1ncc(C(=O)N[C@@H]2CCCC[N@@H+](CC(N)=O)C2)n1 ZINC001034453197 656743735 /nfs/dbraw/zinc/74/37/35/656743735.db2.gz UASJMGKJNFOQGT-SECBINFHSA-N 1 2 280.332 -1.115 20 0 CAADLO Cn1nncc1C[N@@H+]1CCCC[C@H](NC(=O)C(N)=O)C1 ZINC001034373085 656744847 /nfs/dbraw/zinc/74/48/47/656744847.db2.gz RUPZPDJIFAYZTP-VIFPVBQESA-N 1 2 280.332 -1.229 20 0 CAADLO Cn1nncc1C[N@H+]1CCCC[C@H](NC(=O)C(N)=O)C1 ZINC001034373085 656744853 /nfs/dbraw/zinc/74/48/53/656744853.db2.gz RUPZPDJIFAYZTP-VIFPVBQESA-N 1 2 280.332 -1.229 20 0 CAADLO NC(=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)Cc1[nH]cc[nH+]1 ZINC001005664852 656748778 /nfs/dbraw/zinc/74/87/78/656748778.db2.gz DRVLQMJRCYDQFL-HLTSFMKQSA-N 1 2 291.311 -1.314 20 0 CAADLO Cc1nnc(C[NH2+]C[C@H]2CCCN2C(=O)C(N)=O)o1 ZINC001035031471 656751352 /nfs/dbraw/zinc/75/13/52/656751352.db2.gz ADVLRUMMIAZXES-MRVPVSSYSA-N 1 2 267.289 -1.056 20 0 CAADLO Cn1nnc(C[NH2+]C[C@H]2CCCN2C(=O)c2nc[nH]n2)n1 ZINC001035079909 656752162 /nfs/dbraw/zinc/75/21/62/656752162.db2.gz UJAYOWIBQXBYDI-MRVPVSSYSA-N 1 2 291.319 -1.277 20 0 CAADLO O=C(Cc1ncn[nH]1)N1CCC[C@@H]1C[NH2+][C@@H]1CCNC1=O ZINC001035098990 656752280 /nfs/dbraw/zinc/75/22/80/656752280.db2.gz WEYDVSWBAYIJGD-NXEZZACHSA-N 1 2 292.343 -1.184 20 0 CAADLO CN(C)c1noc(C[NH2+]C[C@H]2CCCN2C(=O)C(N)=O)n1 ZINC001035032324 656753353 /nfs/dbraw/zinc/75/33/53/656753353.db2.gz QGDJXXKOKVJFEE-MRVPVSSYSA-N 1 2 296.331 -1.299 20 0 CAADLO CC(=O)NC[C@H]1C[N@H+](CCCN2C(=O)CNC2=O)CCO1 ZINC001035262776 656754269 /nfs/dbraw/zinc/75/42/69/656754269.db2.gz SIHFTTZBXBZAKW-NSHDSACASA-N 1 2 298.343 -1.235 20 0 CAADLO CC(=O)NC[C@H]1C[N@@H+](CCCN2C(=O)CNC2=O)CCO1 ZINC001035262776 656754275 /nfs/dbraw/zinc/75/42/75/656754275.db2.gz SIHFTTZBXBZAKW-NSHDSACASA-N 1 2 298.343 -1.235 20 0 CAADLO COCC[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2COCCO2)C1 ZINC001035294149 656754979 /nfs/dbraw/zinc/75/49/79/656754979.db2.gz ITXLABGORUSXKC-RYUDHWBXSA-N 1 2 288.344 -1.135 20 0 CAADLO O=C(NC[C@H]1C[N@H+](CCO)CCO1)c1cn[nH]c1 ZINC001035296552 656754805 /nfs/dbraw/zinc/75/48/05/656754805.db2.gz KOVLTDZQZBXPBB-JTQLQIEISA-N 1 2 254.290 -1.167 20 0 CAADLO O=C(NC[C@H]1C[N@@H+](CCO)CCO1)c1cn[nH]c1 ZINC001035296552 656754813 /nfs/dbraw/zinc/75/48/13/656754813.db2.gz KOVLTDZQZBXPBB-JTQLQIEISA-N 1 2 254.290 -1.167 20 0 CAADLO COCC[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2COCCO2)C1 ZINC001035294149 656754971 /nfs/dbraw/zinc/75/49/71/656754971.db2.gz ITXLABGORUSXKC-RYUDHWBXSA-N 1 2 288.344 -1.135 20 0 CAADLO O=C(NC[C@H]1C[N@H+](CCO)CCO1)[C@@H]1COCCO1 ZINC001035302837 656755846 /nfs/dbraw/zinc/75/58/46/656755846.db2.gz MAEYMWGCFUZRDS-QWRGUYRKSA-N 1 2 274.317 -1.789 20 0 CAADLO O=C(NC[C@H]1C[N@@H+](CCO)CCO1)[C@@H]1COCCO1 ZINC001035302837 656755850 /nfs/dbraw/zinc/75/58/50/656755850.db2.gz MAEYMWGCFUZRDS-QWRGUYRKSA-N 1 2 274.317 -1.789 20 0 CAADLO O=C(NC[C@H]1C[N@H+](CCO)CCO1)c1ccn[nH]1 ZINC001035300907 656756304 /nfs/dbraw/zinc/75/63/04/656756304.db2.gz YYEAZIZPFBLAAW-VIFPVBQESA-N 1 2 254.290 -1.167 20 0 CAADLO O=C(NC[C@H]1C[N@@H+](CCO)CCO1)c1ccn[nH]1 ZINC001035300907 656756308 /nfs/dbraw/zinc/75/63/08/656756308.db2.gz YYEAZIZPFBLAAW-VIFPVBQESA-N 1 2 254.290 -1.167 20 0 CAADLO O=C(NC[C@@H]1C[N@H+](CCO)CCO1)[C@H]1COCCO1 ZINC001035302835 656756339 /nfs/dbraw/zinc/75/63/39/656756339.db2.gz MAEYMWGCFUZRDS-GHMZBOCLSA-N 1 2 274.317 -1.789 20 0 CAADLO O=C(NC[C@@H]1C[N@@H+](CCO)CCO1)[C@H]1COCCO1 ZINC001035302835 656756343 /nfs/dbraw/zinc/75/63/43/656756343.db2.gz MAEYMWGCFUZRDS-GHMZBOCLSA-N 1 2 274.317 -1.789 20 0 CAADLO O=C(NC[C@H]1C[N@H+](CCO)CCO1)c1cnns1 ZINC001035308611 656756838 /nfs/dbraw/zinc/75/68/38/656756838.db2.gz DMFULOMNWRGHCC-QMMMGPOBSA-N 1 2 272.330 -1.039 20 0 CAADLO O=C(NC[C@H]1C[N@@H+](CCO)CCO1)c1cnns1 ZINC001035308611 656756841 /nfs/dbraw/zinc/75/68/41/656756841.db2.gz DMFULOMNWRGHCC-QMMMGPOBSA-N 1 2 272.330 -1.039 20 0 CAADLO O=C(NC[C@H]1C[N@H+](CCO)CCO1)[C@H]1CCC(=O)N1 ZINC001035315901 656757144 /nfs/dbraw/zinc/75/71/44/656757144.db2.gz GCCIPGSRDAQYCD-VHSXEESVSA-N 1 2 271.317 -1.926 20 0 CAADLO O=C(NC[C@H]1C[N@@H+](CCO)CCO1)[C@H]1CCC(=O)N1 ZINC001035315901 656757150 /nfs/dbraw/zinc/75/71/50/656757150.db2.gz GCCIPGSRDAQYCD-VHSXEESVSA-N 1 2 271.317 -1.926 20 0 CAADLO O=C(NC[C@@H]1C[N@H+](CCO)CCO1)[C@@H]1CCOC1 ZINC001035306104 656757375 /nfs/dbraw/zinc/75/73/75/656757375.db2.gz HFDNQVJPNFEHCJ-GHMZBOCLSA-N 1 2 258.318 -1.168 20 0 CAADLO O=C(NC[C@@H]1C[N@@H+](CCO)CCO1)[C@@H]1CCOC1 ZINC001035306104 656757379 /nfs/dbraw/zinc/75/73/79/656757379.db2.gz HFDNQVJPNFEHCJ-GHMZBOCLSA-N 1 2 258.318 -1.168 20 0 CAADLO O=C(NC[C@@H]1C[N@H+](CCO)CCO1)[C@H]1CCOC1 ZINC001035306107 656757559 /nfs/dbraw/zinc/75/75/59/656757559.db2.gz HFDNQVJPNFEHCJ-WDEREUQCSA-N 1 2 258.318 -1.168 20 0 CAADLO O=C(NC[C@@H]1C[N@@H+](CCO)CCO1)[C@H]1CCOC1 ZINC001035306107 656757563 /nfs/dbraw/zinc/75/75/63/656757563.db2.gz HFDNQVJPNFEHCJ-WDEREUQCSA-N 1 2 258.318 -1.168 20 0 CAADLO Nc1nccnc1C(=O)NC[C@H]1C[N@H+](CCCO)CCO1 ZINC001035308847 656757686 /nfs/dbraw/zinc/75/76/86/656757686.db2.gz AVADSODIHNPCSK-JTQLQIEISA-N 1 2 295.343 -1.128 20 0 CAADLO Nc1nccnc1C(=O)NC[C@H]1C[N@@H+](CCCO)CCO1 ZINC001035308847 656757688 /nfs/dbraw/zinc/75/76/88/656757688.db2.gz AVADSODIHNPCSK-JTQLQIEISA-N 1 2 295.343 -1.128 20 0 CAADLO COCC[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2CCC(=O)N2)C1 ZINC001035318791 656758546 /nfs/dbraw/zinc/75/85/46/656758546.db2.gz YJCNVXDLAOEWHC-WDEREUQCSA-N 1 2 285.344 -1.272 20 0 CAADLO COCC[N@H+]1CCO[C@@H](CNC(=O)[C@H]2CCC(=O)N2)C1 ZINC001035318791 656758547 /nfs/dbraw/zinc/75/85/47/656758547.db2.gz YJCNVXDLAOEWHC-WDEREUQCSA-N 1 2 285.344 -1.272 20 0 CAADLO O=C(NC[C@@H]1C[N@H+](CCO)CCO1)[C@@H]1CCNC(=O)C1 ZINC001035336439 656758579 /nfs/dbraw/zinc/75/85/79/656758579.db2.gz WTRPCAPSLQMHHV-GHMZBOCLSA-N 1 2 285.344 -1.678 20 0 CAADLO O=C(NC[C@@H]1C[N@@H+](CCO)CCO1)[C@@H]1CCNC(=O)C1 ZINC001035336439 656758582 /nfs/dbraw/zinc/75/85/82/656758582.db2.gz WTRPCAPSLQMHHV-GHMZBOCLSA-N 1 2 285.344 -1.678 20 0 CAADLO C[C@@H](O)C[N@@H+]1CCO[C@@H](CNC(=O)c2nccnc2N)C1 ZINC001035319808 656758789 /nfs/dbraw/zinc/75/87/89/656758789.db2.gz NAZOYURBVLSRBJ-ZJUUUORDSA-N 1 2 295.343 -1.130 20 0 CAADLO C[C@@H](O)C[N@H+]1CCO[C@@H](CNC(=O)c2nccnc2N)C1 ZINC001035319808 656758794 /nfs/dbraw/zinc/75/87/94/656758794.db2.gz NAZOYURBVLSRBJ-ZJUUUORDSA-N 1 2 295.343 -1.130 20 0 CAADLO Cc1c(C(=O)NC[C@@H]2C[N@H+](CCO)CCO2)nnn1C ZINC001035320340 656758823 /nfs/dbraw/zinc/75/88/23/656758823.db2.gz QPVJJDDONURCFE-SNVBAGLBSA-N 1 2 283.332 -1.454 20 0 CAADLO Cc1c(C(=O)NC[C@@H]2C[N@@H+](CCO)CCO2)nnn1C ZINC001035320340 656758828 /nfs/dbraw/zinc/75/88/28/656758828.db2.gz QPVJJDDONURCFE-SNVBAGLBSA-N 1 2 283.332 -1.454 20 0 CAADLO COCC[N@@H+]1CCO[C@H](CNC(=O)[C@H]2CCC(=O)N2)C1 ZINC001035318789 656758944 /nfs/dbraw/zinc/75/89/44/656758944.db2.gz YJCNVXDLAOEWHC-GHMZBOCLSA-N 1 2 285.344 -1.272 20 0 CAADLO COCC[N@H+]1CCO[C@H](CNC(=O)[C@H]2CCC(=O)N2)C1 ZINC001035318789 656758948 /nfs/dbraw/zinc/75/89/48/656758948.db2.gz YJCNVXDLAOEWHC-GHMZBOCLSA-N 1 2 285.344 -1.272 20 0 CAADLO Cc1c(C(=O)NC[C@H]2C[N@H+](CCO)CCO2)nnn1C ZINC001035320339 656758967 /nfs/dbraw/zinc/75/89/67/656758967.db2.gz QPVJJDDONURCFE-JTQLQIEISA-N 1 2 283.332 -1.454 20 0 CAADLO Cc1c(C(=O)NC[C@H]2C[N@@H+](CCO)CCO2)nnn1C ZINC001035320339 656758973 /nfs/dbraw/zinc/75/89/73/656758973.db2.gz QPVJJDDONURCFE-JTQLQIEISA-N 1 2 283.332 -1.454 20 0 CAADLO Cn1oc(C(=O)NC[C@H]2C[N@H+](CCO)CCO2)cc1=O ZINC001035344457 656759416 /nfs/dbraw/zinc/75/94/16/656759416.db2.gz CGSFHCDEIMTKET-VIFPVBQESA-N 1 2 285.300 -1.599 20 0 CAADLO Cn1oc(C(=O)NC[C@H]2C[N@@H+](CCO)CCO2)cc1=O ZINC001035344457 656759421 /nfs/dbraw/zinc/75/94/21/656759421.db2.gz CGSFHCDEIMTKET-VIFPVBQESA-N 1 2 285.300 -1.599 20 0 CAADLO Cn1ncc(C(=O)NC[C@H]2C[N@H+](CCO)CCO2)c1N ZINC001035342223 656760043 /nfs/dbraw/zinc/76/00/43/656760043.db2.gz BIVZHOXPBRPGMJ-VIFPVBQESA-N 1 2 283.332 -1.575 20 0 CAADLO Cn1ncc(C(=O)NC[C@H]2C[N@@H+](CCO)CCO2)c1N ZINC001035342223 656760046 /nfs/dbraw/zinc/76/00/46/656760046.db2.gz BIVZHOXPBRPGMJ-VIFPVBQESA-N 1 2 283.332 -1.575 20 0 CAADLO CCn1ncc(C(=O)NC[C@H]2C[N@H+](CCO)CCO2)n1 ZINC001035358765 656760906 /nfs/dbraw/zinc/76/09/06/656760906.db2.gz SIXDEWRANDLDLK-JTQLQIEISA-N 1 2 283.332 -1.279 20 0 CAADLO CCn1ncc(C(=O)NC[C@H]2C[N@@H+](CCO)CCO2)n1 ZINC001035358765 656760911 /nfs/dbraw/zinc/76/09/11/656760911.db2.gz SIXDEWRANDLDLK-JTQLQIEISA-N 1 2 283.332 -1.279 20 0 CAADLO O=C(NC[C@@H]1C[N@H+](CCO)CCO1)[C@@H]1COC(=O)N1 ZINC001035353802 656761172 /nfs/dbraw/zinc/76/11/72/656761172.db2.gz FTSBXTXUJUFBIY-BDAKNGLRSA-N 1 2 273.289 -2.096 20 0 CAADLO O=C(NC[C@@H]1C[N@@H+](CCO)CCO1)[C@@H]1COC(=O)N1 ZINC001035353802 656761175 /nfs/dbraw/zinc/76/11/75/656761175.db2.gz FTSBXTXUJUFBIY-BDAKNGLRSA-N 1 2 273.289 -2.096 20 0 CAADLO O=C(NC[C@@H]1C[N@H+](CCO)CCO1)c1ncc[nH]1 ZINC001035359911 656761391 /nfs/dbraw/zinc/76/13/91/656761391.db2.gz YXSFYJSWSUGWBR-SECBINFHSA-N 1 2 254.290 -1.167 20 0 CAADLO O=C(NC[C@@H]1C[N@@H+](CCO)CCO1)c1ncc[nH]1 ZINC001035359911 656761394 /nfs/dbraw/zinc/76/13/94/656761394.db2.gz YXSFYJSWSUGWBR-SECBINFHSA-N 1 2 254.290 -1.167 20 0 CAADLO COCC[N@@H+]1CCO[C@@H](CNC(=O)c2ncn(C)n2)C1 ZINC001035357842 656761498 /nfs/dbraw/zinc/76/14/98/656761498.db2.gz HKWDZEZBCGWVLU-JTQLQIEISA-N 1 2 283.332 -1.108 20 0 CAADLO COCC[N@H+]1CCO[C@@H](CNC(=O)c2ncn(C)n2)C1 ZINC001035357842 656761500 /nfs/dbraw/zinc/76/15/00/656761500.db2.gz HKWDZEZBCGWVLU-JTQLQIEISA-N 1 2 283.332 -1.108 20 0 CAADLO O=C(NC[C@H]1C[N@H+](CCO)CCO1)c1ncc[nH]1 ZINC001035359912 656761506 /nfs/dbraw/zinc/76/15/06/656761506.db2.gz YXSFYJSWSUGWBR-VIFPVBQESA-N 1 2 254.290 -1.167 20 0 CAADLO O=C(NC[C@H]1C[N@@H+](CCO)CCO1)c1ncc[nH]1 ZINC001035359912 656761508 /nfs/dbraw/zinc/76/15/08/656761508.db2.gz YXSFYJSWSUGWBR-VIFPVBQESA-N 1 2 254.290 -1.167 20 0 CAADLO C[C@@H](O)C[N@@H+]1CCO[C@H](CNC(=O)c2ncn(C)n2)C1 ZINC001035363528 656762040 /nfs/dbraw/zinc/76/20/40/656762040.db2.gz TWLDKYAMMIDLPS-NXEZZACHSA-N 1 2 283.332 -1.374 20 0 CAADLO C[C@@H](O)C[N@H+]1CCO[C@H](CNC(=O)c2ncn(C)n2)C1 ZINC001035363528 656762042 /nfs/dbraw/zinc/76/20/42/656762042.db2.gz TWLDKYAMMIDLPS-NXEZZACHSA-N 1 2 283.332 -1.374 20 0 CAADLO COCC[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2CC(=O)N(C)C2)C1 ZINC001035389598 656762110 /nfs/dbraw/zinc/76/21/10/656762110.db2.gz OZJNTSPMOOFBPF-NEPJUHHUSA-N 1 2 299.371 -1.072 20 0 CAADLO COCC[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2CC(=O)N(C)C2)C1 ZINC001035389598 656762114 /nfs/dbraw/zinc/76/21/14/656762114.db2.gz OZJNTSPMOOFBPF-NEPJUHHUSA-N 1 2 299.371 -1.072 20 0 CAADLO COCC[N@@H+]1CCO[C@H](CNC(=O)c2cn(C)nn2)C1 ZINC001035363171 656762151 /nfs/dbraw/zinc/76/21/51/656762151.db2.gz SETGHVRLKQIETQ-SNVBAGLBSA-N 1 2 283.332 -1.108 20 0 CAADLO COCC[N@H+]1CCO[C@H](CNC(=O)c2cn(C)nn2)C1 ZINC001035363171 656762155 /nfs/dbraw/zinc/76/21/55/656762155.db2.gz SETGHVRLKQIETQ-SNVBAGLBSA-N 1 2 283.332 -1.108 20 0 CAADLO COCC[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CC(=O)N(C)C2)C1 ZINC001035389601 656762346 /nfs/dbraw/zinc/76/23/46/656762346.db2.gz OZJNTSPMOOFBPF-VXGBXAGGSA-N 1 2 299.371 -1.072 20 0 CAADLO COCC[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CC(=O)N(C)C2)C1 ZINC001035389601 656762351 /nfs/dbraw/zinc/76/23/51/656762351.db2.gz OZJNTSPMOOFBPF-VXGBXAGGSA-N 1 2 299.371 -1.072 20 0 CAADLO C[C@H](O)C[N@@H+]1CCO[C@H](CNC(=O)c2cn(C)nn2)C1 ZINC001035362054 656762367 /nfs/dbraw/zinc/76/23/67/656762367.db2.gz LJNALPMNXSNJRO-VHSXEESVSA-N 1 2 283.332 -1.374 20 0 CAADLO C[C@H](O)C[N@H+]1CCO[C@H](CNC(=O)c2cn(C)nn2)C1 ZINC001035362054 656762373 /nfs/dbraw/zinc/76/23/73/656762373.db2.gz LJNALPMNXSNJRO-VHSXEESVSA-N 1 2 283.332 -1.374 20 0 CAADLO Cn1cnc(C(=O)NC[C@@H]2C[N@H+](CCO)CCO2)n1 ZINC001035361233 656762404 /nfs/dbraw/zinc/76/24/04/656762404.db2.gz FMJNHMOQGANBKS-SECBINFHSA-N 1 2 269.305 -1.762 20 0 CAADLO Cn1cnc(C(=O)NC[C@@H]2C[N@@H+](CCO)CCO2)n1 ZINC001035361233 656762406 /nfs/dbraw/zinc/76/24/06/656762406.db2.gz FMJNHMOQGANBKS-SECBINFHSA-N 1 2 269.305 -1.762 20 0 CAADLO CCN1C[C@@H](C(=O)NC[C@H]2C[N@H+](CCO)CCO2)CC1=O ZINC001035391417 656762421 /nfs/dbraw/zinc/76/24/21/656762421.db2.gz OSFDHANIMJTFFT-RYUDHWBXSA-N 1 2 299.371 -1.336 20 0 CAADLO CCN1C[C@@H](C(=O)NC[C@H]2C[N@@H+](CCO)CCO2)CC1=O ZINC001035391417 656762427 /nfs/dbraw/zinc/76/24/27/656762427.db2.gz OSFDHANIMJTFFT-RYUDHWBXSA-N 1 2 299.371 -1.336 20 0 CAADLO CN1C[C@@H](C(=O)NC[C@H]2C[N@H+](CCO)CCO2)CC1=O ZINC001035388545 656762522 /nfs/dbraw/zinc/76/25/22/656762522.db2.gz FKYCUQWJUKRLCR-QWRGUYRKSA-N 1 2 285.344 -1.726 20 0 CAADLO CN1C[C@@H](C(=O)NC[C@H]2C[N@@H+](CCO)CCO2)CC1=O ZINC001035388545 656762530 /nfs/dbraw/zinc/76/25/30/656762530.db2.gz FKYCUQWJUKRLCR-QWRGUYRKSA-N 1 2 285.344 -1.726 20 0 CAADLO CN1C[C@H](C(=O)NC[C@@H]2C[N@H+](CCO)CCO2)CC1=O ZINC001035388381 656762623 /nfs/dbraw/zinc/76/26/23/656762623.db2.gz FKYCUQWJUKRLCR-GHMZBOCLSA-N 1 2 285.344 -1.726 20 0 CAADLO CN1C[C@H](C(=O)NC[C@@H]2C[N@@H+](CCO)CCO2)CC1=O ZINC001035388381 656762628 /nfs/dbraw/zinc/76/26/28/656762628.db2.gz FKYCUQWJUKRLCR-GHMZBOCLSA-N 1 2 285.344 -1.726 20 0 CAADLO Cn1cc(C(=O)NC[C@@H]2C[N@H+](CCO)CCO2)nn1 ZINC001035360739 656762646 /nfs/dbraw/zinc/76/26/46/656762646.db2.gz CTBHTBNARBAGGS-SECBINFHSA-N 1 2 269.305 -1.762 20 0 CAADLO Cn1cc(C(=O)NC[C@@H]2C[N@@H+](CCO)CCO2)nn1 ZINC001035360739 656762649 /nfs/dbraw/zinc/76/26/49/656762649.db2.gz CTBHTBNARBAGGS-SECBINFHSA-N 1 2 269.305 -1.762 20 0 CAADLO C[C@@H](O)C[N@@H+]1CCO[C@H](CNC(=O)c2cn(C)nn2)C1 ZINC001035362048 656762701 /nfs/dbraw/zinc/76/27/01/656762701.db2.gz LJNALPMNXSNJRO-NXEZZACHSA-N 1 2 283.332 -1.374 20 0 CAADLO C[C@@H](O)C[N@H+]1CCO[C@H](CNC(=O)c2cn(C)nn2)C1 ZINC001035362048 656762705 /nfs/dbraw/zinc/76/27/05/656762705.db2.gz LJNALPMNXSNJRO-NXEZZACHSA-N 1 2 283.332 -1.374 20 0 CAADLO Cn1cnc(C(=O)NC[C@H]2C[N@H+](CCO)CCO2)n1 ZINC001035361236 656762729 /nfs/dbraw/zinc/76/27/29/656762729.db2.gz FMJNHMOQGANBKS-VIFPVBQESA-N 1 2 269.305 -1.762 20 0 CAADLO Cn1cnc(C(=O)NC[C@H]2C[N@@H+](CCO)CCO2)n1 ZINC001035361236 656762733 /nfs/dbraw/zinc/76/27/33/656762733.db2.gz FMJNHMOQGANBKS-VIFPVBQESA-N 1 2 269.305 -1.762 20 0 CAADLO CCN1C[C@@H](C(=O)NC[C@@H]2C[N@H+](CCO)CCO2)CC1=O ZINC001035391416 656762805 /nfs/dbraw/zinc/76/28/05/656762805.db2.gz OSFDHANIMJTFFT-NWDGAFQWSA-N 1 2 299.371 -1.336 20 0 CAADLO CCN1C[C@@H](C(=O)NC[C@@H]2C[N@@H+](CCO)CCO2)CC1=O ZINC001035391416 656762808 /nfs/dbraw/zinc/76/28/08/656762808.db2.gz OSFDHANIMJTFFT-NWDGAFQWSA-N 1 2 299.371 -1.336 20 0 CAADLO CN1C[C@@H](C(=O)NC[C@@H]2C[N@H+](CCO)CCO2)CC1=O ZINC001035388546 656762836 /nfs/dbraw/zinc/76/28/36/656762836.db2.gz FKYCUQWJUKRLCR-WDEREUQCSA-N 1 2 285.344 -1.726 20 0 CAADLO CN1C[C@@H](C(=O)NC[C@@H]2C[N@@H+](CCO)CCO2)CC1=O ZINC001035388546 656762839 /nfs/dbraw/zinc/76/28/39/656762839.db2.gz FKYCUQWJUKRLCR-WDEREUQCSA-N 1 2 285.344 -1.726 20 0 CAADLO Cn1cc(C(=O)NC[C@H]2C[N@H+](CCO)CCO2)nn1 ZINC001035360740 656762878 /nfs/dbraw/zinc/76/28/78/656762878.db2.gz CTBHTBNARBAGGS-VIFPVBQESA-N 1 2 269.305 -1.762 20 0 CAADLO Cn1cc(C(=O)NC[C@H]2C[N@@H+](CCO)CCO2)nn1 ZINC001035360740 656762883 /nfs/dbraw/zinc/76/28/83/656762883.db2.gz CTBHTBNARBAGGS-VIFPVBQESA-N 1 2 269.305 -1.762 20 0 CAADLO COCC[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2CC(=O)N(C)C2)C1 ZINC001035389600 656762891 /nfs/dbraw/zinc/76/28/91/656762891.db2.gz OZJNTSPMOOFBPF-RYUDHWBXSA-N 1 2 299.371 -1.072 20 0 CAADLO COCC[N@H+]1CCO[C@@H](CNC(=O)[C@H]2CC(=O)N(C)C2)C1 ZINC001035389600 656762896 /nfs/dbraw/zinc/76/28/96/656762896.db2.gz OZJNTSPMOOFBPF-RYUDHWBXSA-N 1 2 299.371 -1.072 20 0 CAADLO O=C(NC[C@@H]1C[N@H+](CCO)CCO1)c1cn[nH]c(=O)c1 ZINC001035406310 656763340 /nfs/dbraw/zinc/76/33/40/656763340.db2.gz IBKVJBPVFODRRJ-SNVBAGLBSA-N 1 2 282.300 -1.395 20 0 CAADLO O=C(NC[C@@H]1C[N@@H+](CCO)CCO1)c1cn[nH]c(=O)c1 ZINC001035406310 656763345 /nfs/dbraw/zinc/76/33/45/656763345.db2.gz IBKVJBPVFODRRJ-SNVBAGLBSA-N 1 2 282.300 -1.395 20 0 CAADLO O=C(NC[C@H]1C[N@H+](CCO)CCO1)c1cnc[nH]c1=O ZINC001035410807 656763916 /nfs/dbraw/zinc/76/39/16/656763916.db2.gz FKVZRPXNQGMNBK-VIFPVBQESA-N 1 2 282.300 -1.395 20 0 CAADLO O=C(NC[C@H]1C[N@@H+](CCO)CCO1)c1cnc[nH]c1=O ZINC001035410807 656763926 /nfs/dbraw/zinc/76/39/26/656763926.db2.gz FKVZRPXNQGMNBK-VIFPVBQESA-N 1 2 282.300 -1.395 20 0 CAADLO COCC[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2CCC(=O)NC2)C1 ZINC001035422669 656764157 /nfs/dbraw/zinc/76/41/57/656764157.db2.gz DRFYYUUPVWSJED-RYUDHWBXSA-N 1 2 299.371 -1.024 20 0 CAADLO COCC[N@H+]1CCO[C@@H](CNC(=O)[C@H]2CCC(=O)NC2)C1 ZINC001035422669 656764162 /nfs/dbraw/zinc/76/41/62/656764162.db2.gz DRFYYUUPVWSJED-RYUDHWBXSA-N 1 2 299.371 -1.024 20 0 CAADLO COCC[N@@H+]1CCO[C@H](CNC(=O)[C@H]2CCCNC2=O)C1 ZINC001035410687 656764376 /nfs/dbraw/zinc/76/43/76/656764376.db2.gz WHOCYFAGNNMHFI-NEPJUHHUSA-N 1 2 299.371 -1.024 20 0 CAADLO COCC[N@H+]1CCO[C@H](CNC(=O)[C@H]2CCCNC2=O)C1 ZINC001035410687 656764382 /nfs/dbraw/zinc/76/43/82/656764382.db2.gz WHOCYFAGNNMHFI-NEPJUHHUSA-N 1 2 299.371 -1.024 20 0 CAADLO Cc1[nH]c(=O)[nH]c1C(=O)NC[C@@H]1C[N@H+](CCO)CCO1 ZINC001035404891 656764444 /nfs/dbraw/zinc/76/44/44/656764444.db2.gz RXUAGRNKNPQCST-SECBINFHSA-N 1 2 284.316 -1.153 20 0 CAADLO Cc1[nH]c(=O)[nH]c1C(=O)NC[C@@H]1C[N@@H+](CCO)CCO1 ZINC001035404891 656764445 /nfs/dbraw/zinc/76/44/45/656764445.db2.gz RXUAGRNKNPQCST-SECBINFHSA-N 1 2 284.316 -1.153 20 0 CAADLO O=C(NC[C@H]1C[N@H+](CCO)CCO1)[C@H]1CCCC(=O)N1 ZINC001035403779 656764473 /nfs/dbraw/zinc/76/44/73/656764473.db2.gz ADLDSAPUWAATSA-WDEREUQCSA-N 1 2 285.344 -1.536 20 0 CAADLO O=C(NC[C@H]1C[N@@H+](CCO)CCO1)[C@H]1CCCC(=O)N1 ZINC001035403779 656764477 /nfs/dbraw/zinc/76/44/77/656764477.db2.gz ADLDSAPUWAATSA-WDEREUQCSA-N 1 2 285.344 -1.536 20 0 CAADLO COc1nccc(C(=O)NC[C@H]2C[N@H+](CCO)CCO2)n1 ZINC001035438398 656765509 /nfs/dbraw/zinc/76/55/09/656765509.db2.gz LQNIAJRAMJDXBK-JTQLQIEISA-N 1 2 296.327 -1.092 20 0 CAADLO COc1nccc(C(=O)NC[C@H]2C[N@@H+](CCO)CCO2)n1 ZINC001035438398 656765519 /nfs/dbraw/zinc/76/55/19/656765519.db2.gz LQNIAJRAMJDXBK-JTQLQIEISA-N 1 2 296.327 -1.092 20 0 CAADLO NC(=O)c1cc(C(=O)NC[C@H]2C[N@H+](CCO)CCO2)co1 ZINC001035453765 656766089 /nfs/dbraw/zinc/76/60/89/656766089.db2.gz FPZHPUXXWSPPQX-JTQLQIEISA-N 1 2 297.311 -1.199 20 0 CAADLO NC(=O)c1cc(C(=O)NC[C@H]2C[N@@H+](CCO)CCO2)co1 ZINC001035453765 656766094 /nfs/dbraw/zinc/76/60/94/656766094.db2.gz FPZHPUXXWSPPQX-JTQLQIEISA-N 1 2 297.311 -1.199 20 0 CAADLO COc1cc(C(=O)NC[C@H]2C[N@H+](CCO)CCO2)nn1C ZINC001035438128 656766480 /nfs/dbraw/zinc/76/64/80/656766480.db2.gz KAFQEGUIWKNELS-JTQLQIEISA-N 1 2 298.343 -1.148 20 0 CAADLO COc1cc(C(=O)NC[C@H]2C[N@@H+](CCO)CCO2)nn1C ZINC001035438128 656766490 /nfs/dbraw/zinc/76/64/90/656766490.db2.gz KAFQEGUIWKNELS-JTQLQIEISA-N 1 2 298.343 -1.148 20 0 CAADLO Cn1cc(C(=O)NC[C@@H]2C[N@H+](CCO)CCO2)ncc1=O ZINC001035449109 656766511 /nfs/dbraw/zinc/76/65/11/656766511.db2.gz HASWWUVKFPNKRZ-SNVBAGLBSA-N 1 2 296.327 -1.797 20 0 CAADLO Cn1cc(C(=O)NC[C@@H]2C[N@@H+](CCO)CCO2)ncc1=O ZINC001035449109 656766517 /nfs/dbraw/zinc/76/65/17/656766517.db2.gz HASWWUVKFPNKRZ-SNVBAGLBSA-N 1 2 296.327 -1.797 20 0 CAADLO C[C@@H](O)C[N@@H+]1CCO[C@H](CNC(=O)c2cn[nH]n2)C1 ZINC001035431878 656766762 /nfs/dbraw/zinc/76/67/62/656766762.db2.gz WFGXJCQXCQJJHE-RKDXNWHRSA-N 1 2 269.305 -1.384 20 0 CAADLO C[C@@H](O)C[N@H+]1CCO[C@H](CNC(=O)c2cn[nH]n2)C1 ZINC001035431878 656766764 /nfs/dbraw/zinc/76/67/64/656766764.db2.gz WFGXJCQXCQJJHE-RKDXNWHRSA-N 1 2 269.305 -1.384 20 0 CAADLO C[C@H](O)C[N@@H+]1CCO[C@H](CNC(=O)c2cn[nH]n2)C1 ZINC001035431876 656766860 /nfs/dbraw/zinc/76/68/60/656766860.db2.gz WFGXJCQXCQJJHE-DTWKUNHWSA-N 1 2 269.305 -1.384 20 0 CAADLO C[C@H](O)C[N@H+]1CCO[C@H](CNC(=O)c2cn[nH]n2)C1 ZINC001035431876 656766867 /nfs/dbraw/zinc/76/68/67/656766867.db2.gz WFGXJCQXCQJJHE-DTWKUNHWSA-N 1 2 269.305 -1.384 20 0 CAADLO Cn1cc(C(=O)NC[C@H]2C[N@H+](CCO)CCO2)ncc1=O ZINC001035449107 656767207 /nfs/dbraw/zinc/76/72/07/656767207.db2.gz HASWWUVKFPNKRZ-JTQLQIEISA-N 1 2 296.327 -1.797 20 0 CAADLO Cn1cc(C(=O)NC[C@H]2C[N@@H+](CCO)CCO2)ncc1=O ZINC001035449107 656767213 /nfs/dbraw/zinc/76/72/13/656767213.db2.gz HASWWUVKFPNKRZ-JTQLQIEISA-N 1 2 296.327 -1.797 20 0 CAADLO Cn1nnc(C(=O)NC[C@@H]2C[N@H+](CCO)CCO2)n1 ZINC001035475385 656767655 /nfs/dbraw/zinc/76/76/55/656767655.db2.gz OPVFYSLVEAUPII-MRVPVSSYSA-N 1 2 270.293 -2.367 20 0 CAADLO Cn1nnc(C(=O)NC[C@@H]2C[N@@H+](CCO)CCO2)n1 ZINC001035475385 656767656 /nfs/dbraw/zinc/76/76/56/656767656.db2.gz OPVFYSLVEAUPII-MRVPVSSYSA-N 1 2 270.293 -2.367 20 0 CAADLO COCC[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCN(C)C2=O)C1 ZINC001035475015 656767689 /nfs/dbraw/zinc/76/76/89/656767689.db2.gz AFJROHFTVNXYIK-RYUDHWBXSA-N 1 2 299.371 -1.072 20 0 CAADLO COCC[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCN(C)C2=O)C1 ZINC001035475015 656767699 /nfs/dbraw/zinc/76/76/99/656767699.db2.gz AFJROHFTVNXYIK-RYUDHWBXSA-N 1 2 299.371 -1.072 20 0 CAADLO CN1CC[C@@H](C(=O)NC[C@@H]2C[N@H+](CCO)CCO2)C1=O ZINC001035475237 656767829 /nfs/dbraw/zinc/76/78/29/656767829.db2.gz BWOXNUURZOFGBV-MNOVXSKESA-N 1 2 285.344 -1.726 20 0 CAADLO CN1CC[C@@H](C(=O)NC[C@@H]2C[N@@H+](CCO)CCO2)C1=O ZINC001035475237 656767831 /nfs/dbraw/zinc/76/78/31/656767831.db2.gz BWOXNUURZOFGBV-MNOVXSKESA-N 1 2 285.344 -1.726 20 0 CAADLO CN1CC[C@H](C(=O)NC[C@H]2C[N@H+](CCO)CCO2)C1=O ZINC001035475240 656767835 /nfs/dbraw/zinc/76/78/35/656767835.db2.gz BWOXNUURZOFGBV-WDEREUQCSA-N 1 2 285.344 -1.726 20 0 CAADLO CN1CC[C@H](C(=O)NC[C@H]2C[N@@H+](CCO)CCO2)C1=O ZINC001035475240 656767837 /nfs/dbraw/zinc/76/78/37/656767837.db2.gz BWOXNUURZOFGBV-WDEREUQCSA-N 1 2 285.344 -1.726 20 0 CAADLO O=C(NC[C@@H]1C[N@H+](CCO)CCO1)[C@H]1[C@@H]2COC[C@@H]21 ZINC001035474398 656768095 /nfs/dbraw/zinc/76/80/95/656768095.db2.gz GVFGSEYLKBKDLM-WYUUTHIRSA-N 1 2 270.329 -1.312 20 0 CAADLO O=C(NC[C@@H]1C[N@@H+](CCO)CCO1)[C@H]1[C@@H]2COC[C@@H]21 ZINC001035474398 656768100 /nfs/dbraw/zinc/76/81/00/656768100.db2.gz GVFGSEYLKBKDLM-WYUUTHIRSA-N 1 2 270.329 -1.312 20 0 CAADLO CO[C@@H](C)C[N@@H+]1CCO[C@H](CNC(=O)c2nnn(C)n2)C1 ZINC001035474718 656768417 /nfs/dbraw/zinc/76/84/17/656768417.db2.gz JNOUUKVRXWUBSL-VHSXEESVSA-N 1 2 298.347 -1.324 20 0 CAADLO CO[C@@H](C)C[N@H+]1CCO[C@H](CNC(=O)c2nnn(C)n2)C1 ZINC001035474718 656768426 /nfs/dbraw/zinc/76/84/26/656768426.db2.gz JNOUUKVRXWUBSL-VHSXEESVSA-N 1 2 298.347 -1.324 20 0 CAADLO CO[C@H](C)C[N@@H+]1CCO[C@H](CNC(=O)c2nnn(C)n2)C1 ZINC001035474715 656768493 /nfs/dbraw/zinc/76/84/93/656768493.db2.gz JNOUUKVRXWUBSL-NXEZZACHSA-N 1 2 298.347 -1.324 20 0 CAADLO CO[C@H](C)C[N@H+]1CCO[C@H](CNC(=O)c2nnn(C)n2)C1 ZINC001035474715 656768498 /nfs/dbraw/zinc/76/84/98/656768498.db2.gz JNOUUKVRXWUBSL-NXEZZACHSA-N 1 2 298.347 -1.324 20 0 CAADLO CN1C(=O)CC[C@@H]1C(=O)NC[C@@H]1C[N@H+](CCO)CCO1 ZINC001035478763 656769577 /nfs/dbraw/zinc/76/95/77/656769577.db2.gz RWYSJPKNQBGLJR-GHMZBOCLSA-N 1 2 285.344 -1.584 20 0 CAADLO CN1C(=O)CC[C@@H]1C(=O)NC[C@@H]1C[N@@H+](CCO)CCO1 ZINC001035478763 656769587 /nfs/dbraw/zinc/76/95/87/656769587.db2.gz RWYSJPKNQBGLJR-GHMZBOCLSA-N 1 2 285.344 -1.584 20 0 CAADLO Cc1nc[nH]c(=O)c1C(=O)NC[C@@H]1C[N@H+](CCO)CCO1 ZINC001035482860 656769809 /nfs/dbraw/zinc/76/98/09/656769809.db2.gz ANXMDQQJEMQHOB-SNVBAGLBSA-N 1 2 296.327 -1.086 20 0 CAADLO Cc1nc[nH]c(=O)c1C(=O)NC[C@@H]1C[N@@H+](CCO)CCO1 ZINC001035482860 656769818 /nfs/dbraw/zinc/76/98/18/656769818.db2.gz ANXMDQQJEMQHOB-SNVBAGLBSA-N 1 2 296.327 -1.086 20 0 CAADLO O=C(NC[C@H]1C[N@H+](CCO)CCO1)[C@@H]1CCNC(=O)CC1 ZINC001035462145 656769885 /nfs/dbraw/zinc/76/98/85/656769885.db2.gz VNZBCTGEHBFHHH-RYUDHWBXSA-N 1 2 299.371 -1.288 20 0 CAADLO O=C(NC[C@H]1C[N@@H+](CCO)CCO1)[C@@H]1CCNC(=O)CC1 ZINC001035462145 656769892 /nfs/dbraw/zinc/76/98/92/656769892.db2.gz VNZBCTGEHBFHHH-RYUDHWBXSA-N 1 2 299.371 -1.288 20 0 CAADLO O=C(NC[C@H]1C[N@H+](CCO)CCO1)c1csnn1 ZINC001035459837 656770309 /nfs/dbraw/zinc/77/03/09/656770309.db2.gz GEZSZDRBDGDNGL-QMMMGPOBSA-N 1 2 272.330 -1.039 20 0 CAADLO O=C(NC[C@H]1C[N@@H+](CCO)CCO1)c1csnn1 ZINC001035459837 656770315 /nfs/dbraw/zinc/77/03/15/656770315.db2.gz GEZSZDRBDGDNGL-QMMMGPOBSA-N 1 2 272.330 -1.039 20 0 CAADLO O=C(NC[C@@H]1C[N@H+](CCO)CCO1)[C@@H]1CCNC(=O)CC1 ZINC001035462144 656770330 /nfs/dbraw/zinc/77/03/30/656770330.db2.gz VNZBCTGEHBFHHH-NWDGAFQWSA-N 1 2 299.371 -1.288 20 0 CAADLO O=C(NC[C@@H]1C[N@@H+](CCO)CCO1)[C@@H]1CCNC(=O)CC1 ZINC001035462144 656770336 /nfs/dbraw/zinc/77/03/36/656770336.db2.gz VNZBCTGEHBFHHH-NWDGAFQWSA-N 1 2 299.371 -1.288 20 0 CAADLO O=C(NC[C@H]1C[N@H+](CCO)CCO1)[C@H]1CCNC(=O)CC1 ZINC001035462143 656770505 /nfs/dbraw/zinc/77/05/05/656770505.db2.gz VNZBCTGEHBFHHH-NEPJUHHUSA-N 1 2 299.371 -1.288 20 0 CAADLO O=C(NC[C@H]1C[N@@H+](CCO)CCO1)[C@H]1CCNC(=O)CC1 ZINC001035462143 656770513 /nfs/dbraw/zinc/77/05/13/656770513.db2.gz VNZBCTGEHBFHHH-NEPJUHHUSA-N 1 2 299.371 -1.288 20 0 CAADLO O=C(NC[C@@H]1C[N@H+](CCO)CCO1)c1c[nH]c(=O)cn1 ZINC001035490298 656770600 /nfs/dbraw/zinc/77/06/00/656770600.db2.gz PJCDRQFQDZQUPP-SECBINFHSA-N 1 2 282.300 -1.807 20 0 CAADLO O=C(NC[C@@H]1C[N@@H+](CCO)CCO1)c1c[nH]c(=O)cn1 ZINC001035490298 656770605 /nfs/dbraw/zinc/77/06/05/656770605.db2.gz PJCDRQFQDZQUPP-SECBINFHSA-N 1 2 282.300 -1.807 20 0 CAADLO O=C(NC[C@H]1C[N@H+](CCO)CCO1)[C@@H]1CCCCC(=O)N1 ZINC001035511259 656771149 /nfs/dbraw/zinc/77/11/49/656771149.db2.gz JWQLSTNZAZYZPX-RYUDHWBXSA-N 1 2 299.371 -1.146 20 0 CAADLO O=C(NC[C@H]1C[N@@H+](CCO)CCO1)[C@@H]1CCCCC(=O)N1 ZINC001035511259 656771158 /nfs/dbraw/zinc/77/11/58/656771158.db2.gz JWQLSTNZAZYZPX-RYUDHWBXSA-N 1 2 299.371 -1.146 20 0 CAADLO COCC[N@@H+]1CCO[C@H](CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001035500281 656771215 /nfs/dbraw/zinc/77/12/15/656771215.db2.gz GDWWYNYKGCEVDY-NXEZZACHSA-N 1 2 286.332 -1.869 20 0 CAADLO COCC[N@H+]1CCO[C@H](CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001035500281 656771219 /nfs/dbraw/zinc/77/12/19/656771219.db2.gz GDWWYNYKGCEVDY-NXEZZACHSA-N 1 2 286.332 -1.869 20 0 CAADLO NC(=O)c1coc(C(=O)NC[C@@H]2C[N@H+](CCO)CCO2)c1 ZINC001035506770 656771289 /nfs/dbraw/zinc/77/12/89/656771289.db2.gz WNMJCDSNWFGHNT-SNVBAGLBSA-N 1 2 297.311 -1.199 20 0 CAADLO NC(=O)c1coc(C(=O)NC[C@@H]2C[N@@H+](CCO)CCO2)c1 ZINC001035506770 656771294 /nfs/dbraw/zinc/77/12/94/656771294.db2.gz WNMJCDSNWFGHNT-SNVBAGLBSA-N 1 2 297.311 -1.199 20 0 CAADLO Cc1nn[nH]c1C(=O)NC[C@@H]1C[N@H+](CCO)CCO1 ZINC001035469794 656772098 /nfs/dbraw/zinc/77/20/98/656772098.db2.gz HFAYJLFQVUTFQP-SECBINFHSA-N 1 2 269.305 -1.464 20 0 CAADLO Cc1nn[nH]c1C(=O)NC[C@@H]1C[N@@H+](CCO)CCO1 ZINC001035469794 656772103 /nfs/dbraw/zinc/77/21/03/656772103.db2.gz HFAYJLFQVUTFQP-SECBINFHSA-N 1 2 269.305 -1.464 20 0 CAADLO O=C(NC[C@@H]1C[N@H+](CCO)CCO1)[C@H]1CNC(=O)N1 ZINC001035501591 656772197 /nfs/dbraw/zinc/77/21/97/656772197.db2.gz LJWHWPRJASHBJR-RKDXNWHRSA-N 1 2 272.305 -2.523 20 0 CAADLO O=C(NC[C@@H]1C[N@@H+](CCO)CCO1)[C@H]1CNC(=O)N1 ZINC001035501591 656772200 /nfs/dbraw/zinc/77/22/00/656772200.db2.gz LJWHWPRJASHBJR-RKDXNWHRSA-N 1 2 272.305 -2.523 20 0 CAADLO Cn1ncc(C(=O)NC[C@@H]2C[N@H+](CCO)CCO2)n1 ZINC001035542380 656773222 /nfs/dbraw/zinc/77/32/22/656773222.db2.gz PCZKWYOUNXWYHG-SECBINFHSA-N 1 2 269.305 -1.762 20 0 CAADLO Cn1ncc(C(=O)NC[C@@H]2C[N@@H+](CCO)CCO2)n1 ZINC001035542380 656773228 /nfs/dbraw/zinc/77/32/28/656773228.db2.gz PCZKWYOUNXWYHG-SECBINFHSA-N 1 2 269.305 -1.762 20 0 CAADLO C[C@@H](C(=O)NC[C@H]1COCCO1)N1CC[NH2+]CC1=O ZINC000705736535 656773291 /nfs/dbraw/zinc/77/32/91/656773291.db2.gz OCZWBVBGPNAGAY-UWVGGRQHSA-N 1 2 271.317 -1.662 20 0 CAADLO Cn1cc(C(=O)NC[C@@H]2C[N@H+](CCO)CCO2)[nH]c1=O ZINC001035492088 656773501 /nfs/dbraw/zinc/77/35/01/656773501.db2.gz IVPISKDQGUSGNZ-SECBINFHSA-N 1 2 284.316 -1.451 20 0 CAADLO Cn1cc(C(=O)NC[C@@H]2C[N@@H+](CCO)CCO2)[nH]c1=O ZINC001035492088 656773507 /nfs/dbraw/zinc/77/35/07/656773507.db2.gz IVPISKDQGUSGNZ-SECBINFHSA-N 1 2 284.316 -1.451 20 0 CAADLO C[C@H](C(=O)NC[C@H]1COCCO1)N1CC[NH2+]CC1=O ZINC000705736537 656773804 /nfs/dbraw/zinc/77/38/04/656773804.db2.gz OCZWBVBGPNAGAY-ZJUUUORDSA-N 1 2 271.317 -1.662 20 0 CAADLO CCN(CC)C(=O)CNC(=O)[C@@H](C)N1CC[NH2+]CC1=O ZINC000705723768 656773847 /nfs/dbraw/zinc/77/38/47/656773847.db2.gz COQREOHPTVQRIZ-SNVBAGLBSA-N 1 2 284.360 -1.209 20 0 CAADLO COc1cncc(C(=O)NC[C@H]2C[N@H+](CCO)CCO2)n1 ZINC001035535905 656774050 /nfs/dbraw/zinc/77/40/50/656774050.db2.gz IPUZNXFJECLNBW-JTQLQIEISA-N 1 2 296.327 -1.092 20 0 CAADLO COc1cncc(C(=O)NC[C@H]2C[N@@H+](CCO)CCO2)n1 ZINC001035535905 656774057 /nfs/dbraw/zinc/77/40/57/656774057.db2.gz IPUZNXFJECLNBW-JTQLQIEISA-N 1 2 296.327 -1.092 20 0 CAADLO C[C@H](C(=O)NC[C@@H]1COCCO1)N1CC[NH2+]CC1=O ZINC000705736534 656774081 /nfs/dbraw/zinc/77/40/81/656774081.db2.gz OCZWBVBGPNAGAY-NXEZZACHSA-N 1 2 271.317 -1.662 20 0 CAADLO Cn1c(=O)cccc1C(=O)NC[C@H]1C[N@H+](CCO)CCO1 ZINC001035497540 656774216 /nfs/dbraw/zinc/77/42/16/656774216.db2.gz BGOKSBVVKGXWHU-NSHDSACASA-N 1 2 295.339 -1.192 20 0 CAADLO Cn1c(=O)cccc1C(=O)NC[C@H]1C[N@@H+](CCO)CCO1 ZINC001035497540 656774229 /nfs/dbraw/zinc/77/42/29/656774229.db2.gz BGOKSBVVKGXWHU-NSHDSACASA-N 1 2 295.339 -1.192 20 0 CAADLO CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)NC[C@H]1C[N@H+](CCO)CCO1 ZINC001035515634 656774347 /nfs/dbraw/zinc/77/43/47/656774347.db2.gz HVVOXVFYNHSROG-SDDRHHMPSA-N 1 2 299.371 -1.480 20 0 CAADLO CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)NC[C@H]1C[N@@H+](CCO)CCO1 ZINC001035515634 656774354 /nfs/dbraw/zinc/77/43/54/656774354.db2.gz HVVOXVFYNHSROG-SDDRHHMPSA-N 1 2 299.371 -1.480 20 0 CAADLO NC(=O)[C@@H]1CC[C@H](C(=O)NC[C@@H]2C[N@H+](CCO)CCO2)C1 ZINC001035512999 656774377 /nfs/dbraw/zinc/77/43/77/656774377.db2.gz COVLIYWHZDGOBP-GRYCIOLGSA-N 1 2 299.371 -1.303 20 0 CAADLO NC(=O)[C@@H]1CC[C@H](C(=O)NC[C@@H]2C[N@@H+](CCO)CCO2)C1 ZINC001035512999 656774383 /nfs/dbraw/zinc/77/43/83/656774383.db2.gz COVLIYWHZDGOBP-GRYCIOLGSA-N 1 2 299.371 -1.303 20 0 CAADLO CC(C)OC(=O)CNC(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000705755985 656774887 /nfs/dbraw/zinc/77/48/87/656774887.db2.gz GGBGIXIWDTZXDD-VIFPVBQESA-N 1 2 271.317 -1.126 20 0 CAADLO O=C(NC[C@H]1C[N@H+](CCO)CCO1)C1CC(=O)NC(=O)C1 ZINC001035547643 656775077 /nfs/dbraw/zinc/77/50/77/656775077.db2.gz SOUQYXSVYQWPKA-JTQLQIEISA-N 1 2 299.327 -2.152 20 0 CAADLO O=C(NC[C@H]1C[N@@H+](CCO)CCO1)C1CC(=O)NC(=O)C1 ZINC001035547643 656775081 /nfs/dbraw/zinc/77/50/81/656775081.db2.gz SOUQYXSVYQWPKA-JTQLQIEISA-N 1 2 299.327 -2.152 20 0 CAADLO CC(C)OC(=O)CNC(=O)[C@@H](C)N1CC[NH2+]CC1=O ZINC000705755983 656775796 /nfs/dbraw/zinc/77/57/96/656775796.db2.gz GGBGIXIWDTZXDD-SECBINFHSA-N 1 2 271.317 -1.126 20 0 CAADLO C[C@@H](C(=O)NCc1ncccn1)N1CC[NH2+]CC1=O ZINC000705764876 656775858 /nfs/dbraw/zinc/77/58/58/656775858.db2.gz FQFQNVPHWDDYTE-VIFPVBQESA-N 1 2 263.301 -1.087 20 0 CAADLO COc1ncc(C(=O)NC[C@H]2C[N@H+](CCO)CCO2)cn1 ZINC001035570749 656775904 /nfs/dbraw/zinc/77/59/04/656775904.db2.gz WBWMUVMHMGUJSP-NSHDSACASA-N 1 2 296.327 -1.092 20 0 CAADLO COc1ncc(C(=O)NC[C@H]2C[N@@H+](CCO)CCO2)cn1 ZINC001035570749 656775910 /nfs/dbraw/zinc/77/59/10/656775910.db2.gz WBWMUVMHMGUJSP-NSHDSACASA-N 1 2 296.327 -1.092 20 0 CAADLO COc1ncc(C(=O)NC[C@@H]2C[N@H+](CCO)CCO2)cn1 ZINC001035570747 656775940 /nfs/dbraw/zinc/77/59/40/656775940.db2.gz WBWMUVMHMGUJSP-LLVKDONJSA-N 1 2 296.327 -1.092 20 0 CAADLO COc1ncc(C(=O)NC[C@@H]2C[N@@H+](CCO)CCO2)cn1 ZINC001035570747 656775946 /nfs/dbraw/zinc/77/59/46/656775946.db2.gz WBWMUVMHMGUJSP-LLVKDONJSA-N 1 2 296.327 -1.092 20 0 CAADLO C[C@@H](C(=O)NCCn1cncn1)N1CC[NH2+]CC1=O ZINC000705741602 656775973 /nfs/dbraw/zinc/77/59/73/656775973.db2.gz WPGSSSBUZKFAOH-VIFPVBQESA-N 1 2 266.305 -1.785 20 0 CAADLO Cn1nc(C(=O)NC[C@@H]2C[N@H+](CCO)CCO2)ccc1=O ZINC001035597290 656776933 /nfs/dbraw/zinc/77/69/33/656776933.db2.gz JMMCDGLAYFBTND-SNVBAGLBSA-N 1 2 296.327 -1.797 20 0 CAADLO Cn1nc(C(=O)NC[C@@H]2C[N@@H+](CCO)CCO2)ccc1=O ZINC001035597290 656776941 /nfs/dbraw/zinc/77/69/41/656776941.db2.gz JMMCDGLAYFBTND-SNVBAGLBSA-N 1 2 296.327 -1.797 20 0 CAADLO CN1C(=O)CCC[C@@H]1C(=O)NC[C@@H]1C[N@H+](CCO)CCO1 ZINC001035595485 656777149 /nfs/dbraw/zinc/77/71/49/656777149.db2.gz HQCBWIDOCAPUPY-VXGBXAGGSA-N 1 2 299.371 -1.193 20 0 CAADLO CN1C(=O)CCC[C@@H]1C(=O)NC[C@@H]1C[N@@H+](CCO)CCO1 ZINC001035595485 656777165 /nfs/dbraw/zinc/77/71/65/656777165.db2.gz HQCBWIDOCAPUPY-VXGBXAGGSA-N 1 2 299.371 -1.193 20 0 CAADLO C[C@H](O)C[N@@H+]1CCO[C@@H](CNC(=O)c2cnon2)C1 ZINC001035552166 656777454 /nfs/dbraw/zinc/77/74/54/656777454.db2.gz NSAUXMJOWALXBN-IUCAKERBSA-N 1 2 270.289 -1.119 20 0 CAADLO C[C@H](O)C[N@H+]1CCO[C@@H](CNC(=O)c2cnon2)C1 ZINC001035552166 656777463 /nfs/dbraw/zinc/77/74/63/656777463.db2.gz NSAUXMJOWALXBN-IUCAKERBSA-N 1 2 270.289 -1.119 20 0 CAADLO O=C(NC[C@@H]1C[N@H+](CCO)CCO1)c1ncccn1 ZINC001035554377 656778141 /nfs/dbraw/zinc/77/81/41/656778141.db2.gz SLSDYOFHESOYBY-SNVBAGLBSA-N 1 2 266.301 -1.101 20 0 CAADLO O=C(NC[C@@H]1C[N@@H+](CCO)CCO1)c1ncccn1 ZINC001035554377 656778152 /nfs/dbraw/zinc/77/81/52/656778152.db2.gz SLSDYOFHESOYBY-SNVBAGLBSA-N 1 2 266.301 -1.101 20 0 CAADLO Cn1nc(C(=O)NC[C@H]2C[N@H+](CCO)CCO2)ccc1=O ZINC001035597288 656778746 /nfs/dbraw/zinc/77/87/46/656778746.db2.gz JMMCDGLAYFBTND-JTQLQIEISA-N 1 2 296.327 -1.797 20 0 CAADLO Cn1nc(C(=O)NC[C@H]2C[N@@H+](CCO)CCO2)ccc1=O ZINC001035597288 656778760 /nfs/dbraw/zinc/77/87/60/656778760.db2.gz JMMCDGLAYFBTND-JTQLQIEISA-N 1 2 296.327 -1.797 20 0 CAADLO O=C(NC[C@H]1C[N@H+](CCCO)CCO1)c1nnc[nH]1 ZINC001035555578 656779009 /nfs/dbraw/zinc/77/90/09/656779009.db2.gz MQMCPCWTHDVZEU-VIFPVBQESA-N 1 2 269.305 -1.382 20 0 CAADLO O=C(NC[C@H]1C[N@@H+](CCCO)CCO1)c1nnc[nH]1 ZINC001035555578 656779021 /nfs/dbraw/zinc/77/90/21/656779021.db2.gz MQMCPCWTHDVZEU-VIFPVBQESA-N 1 2 269.305 -1.382 20 0 CAADLO NC(=O)C[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCC(=O)N1)CC2 ZINC001035671228 656779542 /nfs/dbraw/zinc/77/95/42/656779542.db2.gz UXTYTIQZJVFMOT-SNVBAGLBSA-N 1 2 294.355 -1.325 20 0 CAADLO CCOC(=O)[C@@H](C)NC(=O)CN1CC[NH2+]CC1=O ZINC000705887959 656780263 /nfs/dbraw/zinc/78/02/63/656780263.db2.gz PGAQFATZDPLLKF-MRVPVSSYSA-N 1 2 257.290 -1.514 20 0 CAADLO COC(=O)N(C)CCNC(=O)CN1CC[NH2+]CC1=O ZINC000705917849 656780312 /nfs/dbraw/zinc/78/03/12/656780312.db2.gz NDKROWVOISQRDB-UHFFFAOYSA-N 1 2 272.305 -1.767 20 0 CAADLO CCOC(=O)[C@H](C)NC(=O)CN1CC[NH2+]CC1=O ZINC000705887961 656780330 /nfs/dbraw/zinc/78/03/30/656780330.db2.gz PGAQFATZDPLLKF-QMMMGPOBSA-N 1 2 257.290 -1.514 20 0 CAADLO CN1C[C@@H](C(=O)NC[C@H]2C[N@H+](CCO)CCO2)CCC1=O ZINC001035616342 656780564 /nfs/dbraw/zinc/78/05/64/656780564.db2.gz HECFVVSOGRQSPC-RYUDHWBXSA-N 1 2 299.371 -1.336 20 0 CAADLO CN1C[C@@H](C(=O)NC[C@H]2C[N@@H+](CCO)CCO2)CCC1=O ZINC001035616342 656780579 /nfs/dbraw/zinc/78/05/79/656780579.db2.gz HECFVVSOGRQSPC-RYUDHWBXSA-N 1 2 299.371 -1.336 20 0 CAADLO CC(=O)N1CC[C@H](C(=O)NC[C@@H]2C[N@H+](CCO)CCO2)C1 ZINC001035592812 656780698 /nfs/dbraw/zinc/78/06/98/656780698.db2.gz JKNRBJQENRVUEL-QWHCGFSZSA-N 1 2 299.371 -1.336 20 0 CAADLO CC(=O)N1CC[C@H](C(=O)NC[C@@H]2C[N@@H+](CCO)CCO2)C1 ZINC001035592812 656780708 /nfs/dbraw/zinc/78/07/08/656780708.db2.gz JKNRBJQENRVUEL-QWHCGFSZSA-N 1 2 299.371 -1.336 20 0 CAADLO COC(=O)N(C)CCN(C)C(=O)CN1CC[NH2+]CC1=O ZINC000705928132 656781703 /nfs/dbraw/zinc/78/17/03/656781703.db2.gz BEWKYTBEYJXTNN-UHFFFAOYSA-N 1 2 286.332 -1.425 20 0 CAADLO Cc1nonc1C(=O)NC[C@H]1C[N@H+](CCO)CCO1 ZINC001035624958 656781741 /nfs/dbraw/zinc/78/17/41/656781741.db2.gz QSLDEKMPEAQEJV-VIFPVBQESA-N 1 2 270.289 -1.199 20 0 CAADLO Cc1nonc1C(=O)NC[C@H]1C[N@@H+](CCO)CCO1 ZINC001035624958 656781749 /nfs/dbraw/zinc/78/17/49/656781749.db2.gz QSLDEKMPEAQEJV-VIFPVBQESA-N 1 2 270.289 -1.199 20 0 CAADLO NC(=O)c1cc(C(=O)NC[C@@H]2C[N@H+](CCO)CCO2)c[nH]1 ZINC001035615577 656781771 /nfs/dbraw/zinc/78/17/71/656781771.db2.gz YUZYCDZBMTWYDI-SNVBAGLBSA-N 1 2 296.327 -1.464 20 0 CAADLO NC(=O)c1cc(C(=O)NC[C@@H]2C[N@@H+](CCO)CCO2)c[nH]1 ZINC001035615577 656781776 /nfs/dbraw/zinc/78/17/76/656781776.db2.gz YUZYCDZBMTWYDI-SNVBAGLBSA-N 1 2 296.327 -1.464 20 0 CAADLO COCC[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001035587380 656781789 /nfs/dbraw/zinc/78/17/89/656781789.db2.gz YJCNVXDLAOEWHC-MNOVXSKESA-N 1 2 285.344 -1.272 20 0 CAADLO COCC[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001035587380 656781800 /nfs/dbraw/zinc/78/18/00/656781800.db2.gz YJCNVXDLAOEWHC-MNOVXSKESA-N 1 2 285.344 -1.272 20 0 CAADLO Cn1cc(C(=O)NC[C@@H]2C[N@H+](CCO)CCO2)n(C)c1=O ZINC001035617499 656781813 /nfs/dbraw/zinc/78/18/13/656781813.db2.gz YLZJSNPDBWZVTG-SNVBAGLBSA-N 1 2 298.343 -1.853 20 0 CAADLO Cn1cc(C(=O)NC[C@@H]2C[N@@H+](CCO)CCO2)n(C)c1=O ZINC001035617499 656781816 /nfs/dbraw/zinc/78/18/16/656781816.db2.gz YLZJSNPDBWZVTG-SNVBAGLBSA-N 1 2 298.343 -1.853 20 0 CAADLO CC(=O)N1CC[C@H](C(=O)NC[C@H]2C[N@H+](CCO)CCO2)C1 ZINC001035592813 656781839 /nfs/dbraw/zinc/78/18/39/656781839.db2.gz JKNRBJQENRVUEL-STQMWFEESA-N 1 2 299.371 -1.336 20 0 CAADLO CC(=O)N1CC[C@H](C(=O)NC[C@H]2C[N@@H+](CCO)CCO2)C1 ZINC001035592813 656781849 /nfs/dbraw/zinc/78/18/49/656781849.db2.gz JKNRBJQENRVUEL-STQMWFEESA-N 1 2 299.371 -1.336 20 0 CAADLO COCCN(CCF)C(=O)CN1CC[NH2+]CC1=O ZINC000705886952 656782006 /nfs/dbraw/zinc/78/20/06/656782006.db2.gz LOYBDSQTPJYETA-UHFFFAOYSA-N 1 2 261.297 -1.137 20 0 CAADLO CC(=O)N1CCC[C@@H]1C(=O)NC[C@H]1C[N@H+](CCO)CCO1 ZINC001035618394 656782056 /nfs/dbraw/zinc/78/20/56/656782056.db2.gz CBAJEWTZYKIKKW-QWHCGFSZSA-N 1 2 299.371 -1.193 20 0 CAADLO CC(=O)N1CCC[C@@H]1C(=O)NC[C@H]1C[N@@H+](CCO)CCO1 ZINC001035618394 656782073 /nfs/dbraw/zinc/78/20/73/656782073.db2.gz CBAJEWTZYKIKKW-QWHCGFSZSA-N 1 2 299.371 -1.193 20 0 CAADLO O=C(CN1CC[NH2+]CC1=O)N1CCCNC(=O)C1 ZINC000705934005 656782178 /nfs/dbraw/zinc/78/21/78/656782178.db2.gz OFFUCTDFIWSSJN-UHFFFAOYSA-N 1 2 254.290 -2.233 20 0 CAADLO Cn1ncc(C(=O)N2CCC3(C[NH+](CC(N)=O)C3)CC2)n1 ZINC001035817225 656782584 /nfs/dbraw/zinc/78/25/84/656782584.db2.gz IJXWPUBQVADMAR-UHFFFAOYSA-N 1 2 292.343 -1.162 20 0 CAADLO CCS(=O)(=O)CCNC(=O)CN1CC[NH2+]CC1=O ZINC000706583672 656782760 /nfs/dbraw/zinc/78/27/60/656782760.db2.gz QXBCAGSVECRTPY-UHFFFAOYSA-N 1 2 277.346 -2.031 20 0 CAADLO NC(=O)C[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CNC(=O)N1)CC2 ZINC001035782276 656783004 /nfs/dbraw/zinc/78/30/04/656783004.db2.gz PFUYJCXVLAWVEN-VIFPVBQESA-N 1 2 295.343 -1.923 20 0 CAADLO NC(=O)C[NH+]1CC2(C1)CCN(C(=O)Cn1cncn1)CC2 ZINC001035846262 656783442 /nfs/dbraw/zinc/78/34/42/656783442.db2.gz HABCHOJHDFUSIX-UHFFFAOYSA-N 1 2 292.343 -1.312 20 0 CAADLO NC(=O)C[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCNC1=O)CC2 ZINC001035765424 656783895 /nfs/dbraw/zinc/78/38/95/656783895.db2.gz ZAIQQIHSKONAFV-SNVBAGLBSA-N 1 2 294.355 -1.468 20 0 CAADLO Cn1nncc1C[NH+]1CC2(C1)CCN(C(=O)C(N)=O)CC2 ZINC001035780913 656783975 /nfs/dbraw/zinc/78/39/75/656783975.db2.gz LEDUBICIHAMYMN-UHFFFAOYSA-N 1 2 292.343 -1.275 20 0 CAADLO NC(=O)C[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCNC1=O)CC2 ZINC001035765423 656784094 /nfs/dbraw/zinc/78/40/94/656784094.db2.gz ZAIQQIHSKONAFV-JTQLQIEISA-N 1 2 294.355 -1.468 20 0 CAADLO NC(=O)C[NH+]1CC2(C1)CCN(C(=O)c1nc[nH]n1)CC2 ZINC001035823070 656784159 /nfs/dbraw/zinc/78/41/59/656784159.db2.gz CSGAEDQLASCPRR-UHFFFAOYSA-N 1 2 278.316 -1.172 20 0 CAADLO NC(=O)C[NH+]1CC2(C1)CCN(C(=O)[C@@H]1COC(=O)N1)CC2 ZINC001035694980 656784716 /nfs/dbraw/zinc/78/47/16/656784716.db2.gz IBCBUNPODJKXKI-VIFPVBQESA-N 1 2 296.327 -1.496 20 0 CAADLO C[C@H]1CN(C(=O)Cc2ncn[nH]2)CC[C@@H]1[NH2+]CC(N)=O ZINC001036249217 656790888 /nfs/dbraw/zinc/79/08/88/656790888.db2.gz FPWXBSWKQQIOBH-IUCAKERBSA-N 1 2 280.332 -1.341 20 0 CAADLO C[C@@H]1CN(C(=O)Cc2ncn[nH]2)CC[C@@H]1[NH2+]CC(N)=O ZINC001036249215 656791013 /nfs/dbraw/zinc/79/10/13/656791013.db2.gz FPWXBSWKQQIOBH-BDAKNGLRSA-N 1 2 280.332 -1.341 20 0 CAADLO C[C@H]1CN(C(=O)Cc2ncn[nH]2)CC[C@H]1[NH2+]CC(N)=O ZINC001036249216 656791230 /nfs/dbraw/zinc/79/12/30/656791230.db2.gz FPWXBSWKQQIOBH-DTWKUNHWSA-N 1 2 280.332 -1.341 20 0 CAADLO CCN(CC(=O)OC)C(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000707343521 656792915 /nfs/dbraw/zinc/79/29/15/656792915.db2.gz GCBMPOYCYGTHBX-VIFPVBQESA-N 1 2 271.317 -1.172 20 0 CAADLO C[N@@H+]1CCN(C(=O)[C@H]2CCCC(=O)N2)[C@@H](CO)C1 ZINC000709693221 656794489 /nfs/dbraw/zinc/79/44/89/656794489.db2.gz KLVWKJJCGDJEQZ-NXEZZACHSA-N 1 2 255.318 -1.210 20 0 CAADLO C[N@H+]1CCN(C(=O)[C@H]2CCCC(=O)N2)[C@@H](CO)C1 ZINC000709693221 656794502 /nfs/dbraw/zinc/79/45/02/656794502.db2.gz KLVWKJJCGDJEQZ-NXEZZACHSA-N 1 2 255.318 -1.210 20 0 CAADLO COC(=O)[C@](C)(O)C[N@H+](C)CCS(C)(=O)=O ZINC000086854697 656800200 /nfs/dbraw/zinc/80/02/00/656800200.db2.gz WCCRPLMYSRRVAC-SECBINFHSA-N 1 2 253.320 -1.113 20 0 CAADLO COC(=O)[C@](C)(O)C[N@@H+](C)CCS(C)(=O)=O ZINC000086854697 656800203 /nfs/dbraw/zinc/80/02/03/656800203.db2.gz WCCRPLMYSRRVAC-SECBINFHSA-N 1 2 253.320 -1.113 20 0 CAADLO CN(C(=O)C(N)=O)C1CC[NH+](CCS(C)(=O)=O)CC1 ZINC001005914700 656800579 /nfs/dbraw/zinc/80/05/79/656800579.db2.gz PEHKWQYDGBZKDZ-UHFFFAOYSA-N 1 2 291.373 -1.561 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCC(=O)N2)C1 ZINC001014860098 656802810 /nfs/dbraw/zinc/80/28/10/656802810.db2.gz LCEQEKKBHOCEGR-VHSXEESVSA-N 1 2 282.344 -1.408 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCCC(=O)N2)C1 ZINC001014860098 656802812 /nfs/dbraw/zinc/80/28/12/656802812.db2.gz LCEQEKKBHOCEGR-VHSXEESVSA-N 1 2 282.344 -1.408 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCC(=O)N2)C1 ZINC001014860097 656803085 /nfs/dbraw/zinc/80/30/85/656803085.db2.gz LCEQEKKBHOCEGR-NXEZZACHSA-N 1 2 282.344 -1.408 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CCCC(=O)N2)C1 ZINC001014860097 656803086 /nfs/dbraw/zinc/80/30/86/656803086.db2.gz LCEQEKKBHOCEGR-NXEZZACHSA-N 1 2 282.344 -1.408 20 0 CAADLO C[C@H](C(=O)N1CCS(=O)(=O)C[C@@H]1CCO)[NH+](C)C ZINC000928507343 656826223 /nfs/dbraw/zinc/82/62/23/656826223.db2.gz XVLFOAIJHANFNS-ZJUUUORDSA-N 1 2 278.374 -1.056 20 0 CAADLO CC[C@H](C[NH+]1CCOCC1)NC(=O)C[C@@H]1NC(=O)NC1=O ZINC000928638062 656826664 /nfs/dbraw/zinc/82/66/64/656826664.db2.gz ANZFEKZIHOHFMQ-ZJUUUORDSA-N 1 2 298.343 -1.189 20 0 CAADLO C[C@H](C(=O)N1CCS(=O)(=O)C[C@H]1CCO)[NH+](C)C ZINC000928507338 656826774 /nfs/dbraw/zinc/82/67/74/656826774.db2.gz XVLFOAIJHANFNS-NXEZZACHSA-N 1 2 278.374 -1.056 20 0 CAADLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)CCNC(=O)CO ZINC000928634678 656826897 /nfs/dbraw/zinc/82/68/97/656826897.db2.gz LNNJMNPFCFIUCH-NSHDSACASA-N 1 2 287.360 -1.288 20 0 CAADLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)Cn1cnnn1 ZINC000928635498 656827039 /nfs/dbraw/zinc/82/70/39/656827039.db2.gz DMEHFFGMCFMZKC-JTQLQIEISA-N 1 2 268.321 -1.100 20 0 CAADLO CC[C@H](C[NH+]1CCOCC1)NC(=O)CN1CC(=O)NC1=O ZINC000928641359 656827404 /nfs/dbraw/zinc/82/74/04/656827404.db2.gz PUJVAOXCWZTIHI-SNVBAGLBSA-N 1 2 298.343 -1.235 20 0 CAADLO O=C(CN1CCOCC1)N1CC[NH+](C[C@@H](O)CO)CC1 ZINC000929109889 656828846 /nfs/dbraw/zinc/82/88/46/656828846.db2.gz KKWKAIXXBGQTHQ-GFCCVEGCSA-N 1 2 287.360 -2.184 20 0 CAADLO CC(C)NC(=O)C(=O)N1CC[NH+](C[C@H](O)[C@H](C)O)CC1 ZINC000929101032 656829134 /nfs/dbraw/zinc/82/91/34/656829134.db2.gz WVUQCNKEHGLKQS-QWRGUYRKSA-N 1 2 287.360 -1.603 20 0 CAADLO COC[C@@H]1COCCN1C(=O)C(=O)NCCn1cc[nH+]c1 ZINC000929204050 656829307 /nfs/dbraw/zinc/82/93/07/656829307.db2.gz ZZUCXQBPOKEJTN-LLVKDONJSA-N 1 2 296.327 -1.127 20 0 CAADLO CC(C)NC(=O)C(=O)N1CC[NH+](C[C@@H](O)[C@@H](C)O)CC1 ZINC000929101028 656829329 /nfs/dbraw/zinc/82/93/29/656829329.db2.gz WVUQCNKEHGLKQS-GHMZBOCLSA-N 1 2 287.360 -1.603 20 0 CAADLO C[C@H]1C(=O)NCC[N@H+]1C[C@@H](O)C1(O)CCOCC1 ZINC000929486465 656829858 /nfs/dbraw/zinc/82/98/58/656829858.db2.gz FLDNAMMMIPNEIM-VHSXEESVSA-N 1 2 258.318 -1.291 20 0 CAADLO C[C@H]1C(=O)NCC[N@@H+]1C[C@@H](O)C1(O)CCOCC1 ZINC000929486465 656829861 /nfs/dbraw/zinc/82/98/61/656829861.db2.gz FLDNAMMMIPNEIM-VHSXEESVSA-N 1 2 258.318 -1.291 20 0 CAADLO C[C@@H](O)[C@@H](O)C[NH+]1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC000929280006 656830097 /nfs/dbraw/zinc/83/00/97/656830097.db2.gz YHWOLTHZBCYODM-KOLCDFICSA-N 1 2 285.344 -1.849 20 0 CAADLO O=C([C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)N1CCNC(=O)C1 ZINC000929303734 656830400 /nfs/dbraw/zinc/83/04/00/656830400.db2.gz FMZWVJRPTGKGHS-NEPJUHHUSA-N 1 2 297.355 -1.175 20 0 CAADLO NS(=O)(=O)N1CC[NH+](CCO[C@@H]2CCOC2)CC1 ZINC000929616195 656831108 /nfs/dbraw/zinc/83/11/08/656831108.db2.gz WSHKRKOGRMZPPL-SNVBAGLBSA-N 1 2 279.362 -1.387 20 0 CAADLO CN1CC[N@H+](C[C@H](O)C2(O)CCOCC2)CC1=O ZINC000929694021 656832127 /nfs/dbraw/zinc/83/21/27/656832127.db2.gz GBQROKQUQLPPJY-JTQLQIEISA-N 1 2 258.318 -1.337 20 0 CAADLO CN1CC[N@@H+](C[C@H](O)C2(O)CCOCC2)CC1=O ZINC000929694021 656832128 /nfs/dbraw/zinc/83/21/28/656832128.db2.gz GBQROKQUQLPPJY-JTQLQIEISA-N 1 2 258.318 -1.337 20 0 CAADLO O=C1NC[C@@H]2C[N@H+](C[C@@H]3C[C@H]4COC[C@H]4O3)CCN2C1=O ZINC000929844665 656833652 /nfs/dbraw/zinc/83/36/52/656833652.db2.gz SMZKZGPYOJNSLC-WHOHXGKFSA-N 1 2 295.339 -1.567 20 0 CAADLO O=C1NC[C@@H]2C[N@@H+](C[C@@H]3C[C@H]4COC[C@H]4O3)CCN2C1=O ZINC000929844665 656833656 /nfs/dbraw/zinc/83/36/56/656833656.db2.gz SMZKZGPYOJNSLC-WHOHXGKFSA-N 1 2 295.339 -1.567 20 0 CAADLO C[C@H](O)[C@@H](O)C[N@@H+]1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC000929841523 656833785 /nfs/dbraw/zinc/83/37/85/656833785.db2.gz BNLBBKNKWFBFBU-CIUDSAMLSA-N 1 2 257.290 -2.629 20 0 CAADLO C[C@H](O)[C@@H](O)C[N@H+]1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC000929841523 656833787 /nfs/dbraw/zinc/83/37/87/656833787.db2.gz BNLBBKNKWFBFBU-CIUDSAMLSA-N 1 2 257.290 -2.629 20 0 CAADLO O=C1NC[C@H]2C[N@H+](CCO[C@H]3CCOC3)CCN2C1=O ZINC000929844753 656833822 /nfs/dbraw/zinc/83/38/22/656833822.db2.gz SZQVENBXGZKSLM-QWRGUYRKSA-N 1 2 283.328 -1.566 20 0 CAADLO O=C1NC[C@H]2C[N@@H+](CCO[C@H]3CCOC3)CCN2C1=O ZINC000929844753 656833824 /nfs/dbraw/zinc/83/38/24/656833824.db2.gz SZQVENBXGZKSLM-QWRGUYRKSA-N 1 2 283.328 -1.566 20 0 CAADLO C[C@H](O)[C@H](O)C[N@@H+]1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC000929841535 656833894 /nfs/dbraw/zinc/83/38/94/656833894.db2.gz BNLBBKNKWFBFBU-XHNCKOQMSA-N 1 2 257.290 -2.629 20 0 CAADLO C[C@H](O)[C@H](O)C[N@H+]1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC000929841535 656833895 /nfs/dbraw/zinc/83/38/95/656833895.db2.gz BNLBBKNKWFBFBU-XHNCKOQMSA-N 1 2 257.290 -2.629 20 0 CAADLO C[C@H](O)[C@@H](O)C[N@@H+]1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC000929841536 656834117 /nfs/dbraw/zinc/83/41/17/656834117.db2.gz BNLBBKNKWFBFBU-YIZRAAEISA-N 1 2 257.290 -2.629 20 0 CAADLO C[C@H](O)[C@@H](O)C[N@H+]1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC000929841536 656834120 /nfs/dbraw/zinc/83/41/20/656834120.db2.gz BNLBBKNKWFBFBU-YIZRAAEISA-N 1 2 257.290 -2.629 20 0 CAADLO O=C1NC[C@@H]2C[N@H+](CCO[C@H]3CCOC3)CCN2C1=O ZINC000929844752 656834132 /nfs/dbraw/zinc/83/41/32/656834132.db2.gz SZQVENBXGZKSLM-MNOVXSKESA-N 1 2 283.328 -1.566 20 0 CAADLO O=C1NC[C@@H]2C[N@@H+](CCO[C@H]3CCOC3)CCN2C1=O ZINC000929844752 656834133 /nfs/dbraw/zinc/83/41/33/656834133.db2.gz SZQVENBXGZKSLM-MNOVXSKESA-N 1 2 283.328 -1.566 20 0 CAADLO O=C1NC[C@H]2C[N@H+](CCO[C@@H]3CCOC3)CCN2C1=O ZINC000929844755 656834418 /nfs/dbraw/zinc/83/44/18/656834418.db2.gz SZQVENBXGZKSLM-WDEREUQCSA-N 1 2 283.328 -1.566 20 0 CAADLO O=C1NC[C@H]2C[N@@H+](CCO[C@@H]3CCOC3)CCN2C1=O ZINC000929844755 656834420 /nfs/dbraw/zinc/83/44/20/656834420.db2.gz SZQVENBXGZKSLM-WDEREUQCSA-N 1 2 283.328 -1.566 20 0 CAADLO CNC(=O)N1CC[NH+](C[C@@H](O)C[C@@]2(O)CCOC2)CC1 ZINC000930012742 656834654 /nfs/dbraw/zinc/83/46/54/656834654.db2.gz OTUBIZRDUHBVOD-AAEUAGOBSA-N 1 2 287.360 -1.154 20 0 CAADLO CC(=O)N1CCO[C@@H](C(=O)N2CC[NH+](CCO)CC2)C1 ZINC000930035228 656835003 /nfs/dbraw/zinc/83/50/03/656835003.db2.gz JNWFVOKQLZLOIQ-GFCCVEGCSA-N 1 2 285.344 -1.630 20 0 CAADLO CCn1cc(CC(=O)N2CC[NH+](CCO)CC2)nn1 ZINC000930036325 656835123 /nfs/dbraw/zinc/83/51/23/656835123.db2.gz VHVJESZDJZNPSU-UHFFFAOYSA-N 1 2 267.333 -1.023 20 0 CAADLO CNC(=O)N1CC[NH+](C[C@H](O)C[C@]2(O)CCOC2)CC1 ZINC000930012746 656835210 /nfs/dbraw/zinc/83/52/10/656835210.db2.gz OTUBIZRDUHBVOD-DGCLKSJQSA-N 1 2 287.360 -1.154 20 0 CAADLO CC(=O)N1CCO[C@H](C(=O)N2CC[NH+](CCO)CC2)C1 ZINC000930035229 656835588 /nfs/dbraw/zinc/83/55/88/656835588.db2.gz JNWFVOKQLZLOIQ-LBPRGKRZSA-N 1 2 285.344 -1.630 20 0 CAADLO CON1CC[C@H]([N@@H+]2CC[C@@H](S(N)(=O)=O)C2)C1=O ZINC000930091883 656835941 /nfs/dbraw/zinc/83/59/41/656835941.db2.gz BSJVWMYASQOTCR-SFYZADRCSA-N 1 2 263.319 -1.489 20 0 CAADLO CON1CC[C@H]([N@H+]2CC[C@@H](S(N)(=O)=O)C2)C1=O ZINC000930091883 656835944 /nfs/dbraw/zinc/83/59/44/656835944.db2.gz BSJVWMYASQOTCR-SFYZADRCSA-N 1 2 263.319 -1.489 20 0 CAADLO CNS(=O)(=O)[C@H]1CC[N@@H+]([C@@H]2CCN(OC)C2=O)C1 ZINC000930068943 656836277 /nfs/dbraw/zinc/83/62/77/656836277.db2.gz GQQSXANXDZTYRP-DTWKUNHWSA-N 1 2 277.346 -1.228 20 0 CAADLO CNS(=O)(=O)[C@H]1CC[N@H+]([C@@H]2CCN(OC)C2=O)C1 ZINC000930068943 656836280 /nfs/dbraw/zinc/83/62/80/656836280.db2.gz GQQSXANXDZTYRP-DTWKUNHWSA-N 1 2 277.346 -1.228 20 0 CAADLO CC[S@@](=O)CCNC(=O)C(=O)NC[C@H]1CC[N@@H+]1C ZINC000930096657 656836296 /nfs/dbraw/zinc/83/62/96/656836296.db2.gz INXRNPBNGCHXCH-DYBLOJMWSA-N 1 2 275.374 -1.309 20 0 CAADLO CC[S@@](=O)CCNC(=O)C(=O)NC[C@H]1CC[N@H+]1C ZINC000930096657 656836299 /nfs/dbraw/zinc/83/62/99/656836299.db2.gz INXRNPBNGCHXCH-DYBLOJMWSA-N 1 2 275.374 -1.309 20 0 CAADLO O=C(CO)N1CC[NH+](CCO[C@H]2CCOC2)CC1 ZINC000930103077 656836377 /nfs/dbraw/zinc/83/63/77/656836377.db2.gz NLMQIGGICOKTNP-NSHDSACASA-N 1 2 258.318 -1.072 20 0 CAADLO COCC[N@H+](C[C@H](O)[C@@H](C)O)[C@H]1CCS(=O)(=O)C1 ZINC000930107891 656836466 /nfs/dbraw/zinc/83/64/66/656836466.db2.gz CPGFMXVOOOSJPE-VWYCJHECSA-N 1 2 281.374 -1.136 20 0 CAADLO COCC[N@@H+](C[C@H](O)[C@@H](C)O)[C@H]1CCS(=O)(=O)C1 ZINC000930107891 656836468 /nfs/dbraw/zinc/83/64/68/656836468.db2.gz CPGFMXVOOOSJPE-VWYCJHECSA-N 1 2 281.374 -1.136 20 0 CAADLO CNS(=O)(=O)[C@H]1CC[N@@H+]([C@H]2CCN(OC)C2=O)C1 ZINC000930068948 656836833 /nfs/dbraw/zinc/83/68/33/656836833.db2.gz GQQSXANXDZTYRP-IUCAKERBSA-N 1 2 277.346 -1.228 20 0 CAADLO CNS(=O)(=O)[C@H]1CC[N@H+]([C@H]2CCN(OC)C2=O)C1 ZINC000930068948 656836834 /nfs/dbraw/zinc/83/68/34/656836834.db2.gz GQQSXANXDZTYRP-IUCAKERBSA-N 1 2 277.346 -1.228 20 0 CAADLO CC(C)NS(=O)(=O)N1CC[NH+](C[C@@H](O)[C@H](C)O)CC1 ZINC000930345191 656837469 /nfs/dbraw/zinc/83/74/69/656837469.db2.gz VZCMNLAPYWPWCI-WDEREUQCSA-N 1 2 295.405 -1.412 20 0 CAADLO CC(C)NS(=O)(=O)N1CC[NH+](C[C@H](O)[C@H](C)O)CC1 ZINC000930345189 656837979 /nfs/dbraw/zinc/83/79/79/656837979.db2.gz VZCMNLAPYWPWCI-QWRGUYRKSA-N 1 2 295.405 -1.412 20 0 CAADLO CNS(=O)(=O)N1CC[NH+](C[C@@H](O)CO)CC1 ZINC000930487377 656838331 /nfs/dbraw/zinc/83/83/31/656838331.db2.gz UTEFWRPJBYSCJP-MRVPVSSYSA-N 1 2 253.324 -2.579 20 0 CAADLO CNS(=O)(=O)N1CC[NH+](CCO[C@@H]2CCOC2)CC1 ZINC000930484451 656838791 /nfs/dbraw/zinc/83/87/91/656838791.db2.gz IANMXWOXGKANBQ-LLVKDONJSA-N 1 2 293.389 -1.126 20 0 CAADLO CNS(=O)(=O)N1CC[NH+](C[C@H](O)[C@H](C)O)CC1 ZINC000930486378 656838994 /nfs/dbraw/zinc/83/89/94/656838994.db2.gz KYVBFONJKIPWNJ-IUCAKERBSA-N 1 2 267.351 -2.190 20 0 CAADLO C[C@@H]1C[N@H+](C[C@@H](O)C2(O)CCOCC2)CC(=O)N1 ZINC000930640872 656839513 /nfs/dbraw/zinc/83/95/13/656839513.db2.gz POHBNWSQFQOTBE-NXEZZACHSA-N 1 2 258.318 -1.291 20 0 CAADLO C[C@@H]1C[N@@H+](C[C@@H](O)C2(O)CCOCC2)CC(=O)N1 ZINC000930640872 656839518 /nfs/dbraw/zinc/83/95/18/656839518.db2.gz POHBNWSQFQOTBE-NXEZZACHSA-N 1 2 258.318 -1.291 20 0 CAADLO C[C@H]1C[N@H+](C[C@H](O)C2(O)CCOCC2)CC(=O)N1 ZINC000930640874 656839876 /nfs/dbraw/zinc/83/98/76/656839876.db2.gz POHBNWSQFQOTBE-UWVGGRQHSA-N 1 2 258.318 -1.291 20 0 CAADLO C[C@H]1C[N@@H+](C[C@H](O)C2(O)CCOCC2)CC(=O)N1 ZINC000930640874 656839879 /nfs/dbraw/zinc/83/98/79/656839879.db2.gz POHBNWSQFQOTBE-UWVGGRQHSA-N 1 2 258.318 -1.291 20 0 CAADLO C[C@@H]1C[N@H+](CCN2CC(S(N)(=O)=O)C2)CCO1 ZINC000930734257 656841233 /nfs/dbraw/zinc/84/12/33/656841233.db2.gz NHJTWALFRDESFT-SECBINFHSA-N 1 2 263.363 -1.320 20 0 CAADLO C[C@@H]1C[N@@H+](CCN2CC(S(N)(=O)=O)C2)CCO1 ZINC000930734257 656841235 /nfs/dbraw/zinc/84/12/35/656841235.db2.gz NHJTWALFRDESFT-SECBINFHSA-N 1 2 263.363 -1.320 20 0 CAADLO COC(OC)C(=O)N1CC[NH+](C[C@@H](O)[C@H](C)O)CC1 ZINC000930956104 656841962 /nfs/dbraw/zinc/84/19/62/656841962.db2.gz AZGRRDWSVXNYJJ-VHSXEESVSA-N 1 2 276.333 -1.509 20 0 CAADLO C[N@@H+]1CC[C@@H]1CNC(=O)C(=O)NCC1([S@](C)=O)CC1 ZINC000930756587 656842127 /nfs/dbraw/zinc/84/21/27/656842127.db2.gz BLTPZBLQONBCKJ-HOGDKLEQSA-N 1 2 287.385 -1.166 20 0 CAADLO C[N@H+]1CC[C@@H]1CNC(=O)C(=O)NCC1([S@](C)=O)CC1 ZINC000930756587 656842130 /nfs/dbraw/zinc/84/21/30/656842130.db2.gz BLTPZBLQONBCKJ-HOGDKLEQSA-N 1 2 287.385 -1.166 20 0 CAADLO COC[C@H](O)C[NH+]1CCN(C(=O)C(OC)OC)CC1 ZINC000930955105 656842349 /nfs/dbraw/zinc/84/23/49/656842349.db2.gz BZOCNTQVMOWUKR-SNVBAGLBSA-N 1 2 276.333 -1.243 20 0 CAADLO C[C@H](O)[C@@H](O)C[N@@H+]1CCN(S(C)(=O)=O)[C@H](C)C1 ZINC000931014178 656843219 /nfs/dbraw/zinc/84/32/19/656843219.db2.gz FSHASBDGSFTFAD-UTLUCORTSA-N 1 2 266.363 -1.306 20 0 CAADLO C[C@H](O)[C@@H](O)C[N@H+]1CCN(S(C)(=O)=O)[C@H](C)C1 ZINC000931014178 656843223 /nfs/dbraw/zinc/84/32/23/656843223.db2.gz FSHASBDGSFTFAD-UTLUCORTSA-N 1 2 266.363 -1.306 20 0 CAADLO C[C@@H]1C[N@H+](C[C@@H](O)CO)CCN1S(C)(=O)=O ZINC000931014985 656843235 /nfs/dbraw/zinc/84/32/35/656843235.db2.gz SRRLICQXBQXBNM-RKDXNWHRSA-N 1 2 252.336 -1.695 20 0 CAADLO C[C@@H]1C[N@@H+](C[C@@H](O)CO)CCN1S(C)(=O)=O ZINC000931014985 656843240 /nfs/dbraw/zinc/84/32/40/656843240.db2.gz SRRLICQXBQXBNM-RKDXNWHRSA-N 1 2 252.336 -1.695 20 0 CAADLO CN(C)[S@](C)(=O)=NC(=O)CN1CC[N@H+](C)[C@@H](CO)C1 ZINC000931400308 656845466 /nfs/dbraw/zinc/84/54/66/656845466.db2.gz NRHZUURAAWSUSM-GIGQVBGESA-N 1 2 292.405 -1.304 20 0 CAADLO CN(C)[S@](C)(=O)=NC(=O)CN1CC[N@@H+](C)[C@@H](CO)C1 ZINC000931400308 656845467 /nfs/dbraw/zinc/84/54/67/656845467.db2.gz NRHZUURAAWSUSM-GIGQVBGESA-N 1 2 292.405 -1.304 20 0 CAADLO C[C@@H]1C[N@H+](CCNC(=O)C[C@H]2CC(=O)NC2=O)CCO1 ZINC000931398674 656845696 /nfs/dbraw/zinc/84/56/96/656845696.db2.gz CDXFKGUFYWWVOP-ZJUUUORDSA-N 1 2 283.328 -1.124 20 0 CAADLO C[C@@H]1C[N@@H+](CCNC(=O)C[C@H]2CC(=O)NC2=O)CCO1 ZINC000931398674 656845700 /nfs/dbraw/zinc/84/57/00/656845700.db2.gz CDXFKGUFYWWVOP-ZJUUUORDSA-N 1 2 283.328 -1.124 20 0 CAADLO C[C@@H]1C[N@H+](CCNC(=O)C[C@@H]2CC(=O)NC2=O)CCO1 ZINC000931398671 656845929 /nfs/dbraw/zinc/84/59/29/656845929.db2.gz CDXFKGUFYWWVOP-NXEZZACHSA-N 1 2 283.328 -1.124 20 0 CAADLO C[C@@H]1C[N@@H+](CCNC(=O)C[C@@H]2CC(=O)NC2=O)CCO1 ZINC000931398671 656845931 /nfs/dbraw/zinc/84/59/31/656845931.db2.gz CDXFKGUFYWWVOP-NXEZZACHSA-N 1 2 283.328 -1.124 20 0 CAADLO CN(CC[NH+]1CCOCC1)C(=O)C[C@@H]1CC(=O)NC1=O ZINC000931642403 656846883 /nfs/dbraw/zinc/84/68/83/656846883.db2.gz RWYOJOJVCAPILH-JTQLQIEISA-N 1 2 283.328 -1.170 20 0 CAADLO COC(=O)[C@H]1C[C@@H](O)C[N@@H+]1C[C@H](O)C1(O)CCC1 ZINC000931565712 656847225 /nfs/dbraw/zinc/84/72/25/656847225.db2.gz KDMUFZJQZFZUGI-BBBLOLIVSA-N 1 2 259.302 -1.130 20 0 CAADLO COC(=O)[C@H]1C[C@@H](O)C[N@H+]1C[C@H](O)C1(O)CCC1 ZINC000931565712 656847231 /nfs/dbraw/zinc/84/72/31/656847231.db2.gz KDMUFZJQZFZUGI-BBBLOLIVSA-N 1 2 259.302 -1.130 20 0 CAADLO Cc1nc(N2CC[NH+](CCN3C(=O)CNC3=O)CC2)n[nH]1 ZINC000931624932 656847325 /nfs/dbraw/zinc/84/73/25/656847325.db2.gz ZLSDAYMBLUZMBE-UHFFFAOYSA-N 1 2 293.331 -1.213 20 0 CAADLO C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)C1 ZINC000932071938 656853106 /nfs/dbraw/zinc/85/31/06/656853106.db2.gz ZCXQZWMJPDBQMF-IUCAKERBSA-N 1 2 289.357 -1.890 20 0 CAADLO C[N@H+]1CCC[C@H](NC(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)C1 ZINC000932071938 656853111 /nfs/dbraw/zinc/85/31/11/656853111.db2.gz ZCXQZWMJPDBQMF-IUCAKERBSA-N 1 2 289.357 -1.890 20 0 CAADLO COCC[NH+]1CCN(C(=O)C(=O)N[C@@H]2COC[C@@H]2C)CC1 ZINC000932075100 656853189 /nfs/dbraw/zinc/85/31/89/656853189.db2.gz LQYRKHJNFMXVAU-NWDGAFQWSA-N 1 2 299.371 -1.072 20 0 CAADLO Cn1nnc(NC(=O)N2CC[NH+](CCO)CC2)n1 ZINC000932266624 656854476 /nfs/dbraw/zinc/85/44/76/656854476.db2.gz RJIIFAVGROUUMC-UHFFFAOYSA-N 1 2 255.282 -1.648 20 0 CAADLO COC[C@@H](C)NC(=O)NC(=O)C[N@@H+]1CC[C@H]1CO ZINC000934024721 656859453 /nfs/dbraw/zinc/85/94/53/656859453.db2.gz ARXSDQDXWRWGEV-BDAKNGLRSA-N 1 2 259.306 -1.086 20 0 CAADLO COC[C@@H](C)NC(=O)NC(=O)C[N@H+]1CC[C@H]1CO ZINC000934024721 656859456 /nfs/dbraw/zinc/85/94/56/656859456.db2.gz ARXSDQDXWRWGEV-BDAKNGLRSA-N 1 2 259.306 -1.086 20 0 CAADLO C[C@@H]1OCCO[C@@H]1C(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000935015450 656861041 /nfs/dbraw/zinc/86/10/41/656861041.db2.gz JZXIAQLBLKMVJV-TUAOUCFPSA-N 1 2 269.345 -1.094 20 0 CAADLO CC(=O)N1CCO[C@H](C(=O)NC[C@H]2C[NH+]3CCN2CC3)C1 ZINC000935015140 656861505 /nfs/dbraw/zinc/86/15/05/656861505.db2.gz HVATZHMIWBHDMX-STQMWFEESA-N 1 2 296.371 -1.650 20 0 CAADLO O=C(N[C@@H]1CNC(=O)C1)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000935268289 656861998 /nfs/dbraw/zinc/86/19/98/656861998.db2.gz GSFDBDYYEXYRBF-TUAOUCFPSA-N 1 2 297.355 -1.129 20 0 CAADLO NC(=O)C(=O)NC1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC000947573665 656868712 /nfs/dbraw/zinc/86/87/12/656868712.db2.gz CQSKVJIFLBNAQR-UHFFFAOYSA-N 1 2 293.327 -1.134 20 0 CAADLO C[C@H]1C[C@@H](NC(=O)C(N)=O)CC[N@@H+]1Cc1nncn1C ZINC000947667911 656868779 /nfs/dbraw/zinc/86/87/79/656868779.db2.gz UCQAABUIEXFXRX-IUCAKERBSA-N 1 2 280.332 -1.231 20 0 CAADLO C[C@H]1C[C@@H](NC(=O)C(N)=O)CC[N@H+]1Cc1nncn1C ZINC000947667911 656868785 /nfs/dbraw/zinc/86/87/85/656868785.db2.gz UCQAABUIEXFXRX-IUCAKERBSA-N 1 2 280.332 -1.231 20 0 CAADLO C[C@@H]1C[C@H](NC(=O)C(N)=O)CC[N@@H+]1Cc1cnn(C)n1 ZINC000947671555 656868836 /nfs/dbraw/zinc/86/88/36/656868836.db2.gz MLEMSXBCRNYUTE-RKDXNWHRSA-N 1 2 280.332 -1.231 20 0 CAADLO C[C@@H]1C[C@H](NC(=O)C(N)=O)CC[N@H+]1Cc1cnn(C)n1 ZINC000947671555 656868838 /nfs/dbraw/zinc/86/88/38/656868838.db2.gz MLEMSXBCRNYUTE-RKDXNWHRSA-N 1 2 280.332 -1.231 20 0 CAADLO C[C@H]1C[C@@H](NC(=O)C(N)=O)CC[N@@H+]1Cc1cn(C)nn1 ZINC000947675504 656869115 /nfs/dbraw/zinc/86/91/15/656869115.db2.gz IAVXRAULXMMENX-IUCAKERBSA-N 1 2 280.332 -1.231 20 0 CAADLO C[C@H]1C[C@@H](NC(=O)C(N)=O)CC[N@H+]1Cc1cn(C)nn1 ZINC000947675504 656869120 /nfs/dbraw/zinc/86/91/20/656869120.db2.gz IAVXRAULXMMENX-IUCAKERBSA-N 1 2 280.332 -1.231 20 0 CAADLO C[C@@H]1C[C@@H](NC(=O)C(N)=O)CC[N@@H+]1Cc1cn(C)nn1 ZINC000947675502 656869373 /nfs/dbraw/zinc/86/93/73/656869373.db2.gz IAVXRAULXMMENX-BDAKNGLRSA-N 1 2 280.332 -1.231 20 0 CAADLO C[C@@H]1C[C@@H](NC(=O)C(N)=O)CC[N@H+]1Cc1cn(C)nn1 ZINC000947675502 656869375 /nfs/dbraw/zinc/86/93/75/656869375.db2.gz IAVXRAULXMMENX-BDAKNGLRSA-N 1 2 280.332 -1.231 20 0 CAADLO C[C@@H]1C[C@H](NC(=O)Cc2nnc[nH]2)CC[N@@H+]1CC(N)=O ZINC000947907780 656870409 /nfs/dbraw/zinc/87/04/09/656870409.db2.gz KJFCPVJROKAOIA-RKDXNWHRSA-N 1 2 280.332 -1.198 20 0 CAADLO C[C@@H]1C[C@H](NC(=O)Cc2nnc[nH]2)CC[N@H+]1CC(N)=O ZINC000947907780 656870412 /nfs/dbraw/zinc/87/04/12/656870412.db2.gz KJFCPVJROKAOIA-RKDXNWHRSA-N 1 2 280.332 -1.198 20 0 CAADLO C[C@@H]1C[C@@H](NC(=O)Cc2nnc[nH]2)CC[N@@H+]1CC(N)=O ZINC000947907777 656870432 /nfs/dbraw/zinc/87/04/32/656870432.db2.gz KJFCPVJROKAOIA-BDAKNGLRSA-N 1 2 280.332 -1.198 20 0 CAADLO C[C@@H]1C[C@@H](NC(=O)Cc2nnc[nH]2)CC[N@H+]1CC(N)=O ZINC000947907777 656870435 /nfs/dbraw/zinc/87/04/35/656870435.db2.gz KJFCPVJROKAOIA-BDAKNGLRSA-N 1 2 280.332 -1.198 20 0 CAADLO NC(=O)C(=O)N1CCC(NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC000948080610 656872179 /nfs/dbraw/zinc/87/21/79/656872179.db2.gz WQEIXLNZZCJECW-UHFFFAOYSA-N 1 2 279.300 -1.455 20 0 CAADLO NC(=O)CN1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC000948676084 656874044 /nfs/dbraw/zinc/87/40/44/656874044.db2.gz LEDSWXXEWBAMRE-UHFFFAOYSA-N 1 2 265.317 -1.028 20 0 CAADLO NC(=O)CN1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC000948676084 656874050 /nfs/dbraw/zinc/87/40/50/656874050.db2.gz LEDSWXXEWBAMRE-UHFFFAOYSA-N 1 2 265.317 -1.028 20 0 CAADLO O=C([C@H]1CCC2N=NC(=O)N2C1)N1CC[NH+](CCO)CC1 ZINC000948938977 656874592 /nfs/dbraw/zinc/87/45/92/656874592.db2.gz ARDAUXYWMVBNEF-JTQLQIEISA-N 1 2 295.343 -1.317 20 0 CAADLO Cn1cc(C(=O)N2CC[NH+](CCO)CC2)ncc1=O ZINC000949380311 656876988 /nfs/dbraw/zinc/87/69/88/656876988.db2.gz DZMKISUCZYNMOR-UHFFFAOYSA-N 1 2 266.301 -1.470 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CCOC2(CCN(C(=O)C(N)=O)CC2)C1 ZINC000949454330 656878471 /nfs/dbraw/zinc/87/84/71/656878471.db2.gz HUDNUQKNARJXST-VIFPVBQESA-N 1 2 298.343 -1.961 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CCOC2(CCN(C(=O)C(N)=O)CC2)C1 ZINC000949454330 656878475 /nfs/dbraw/zinc/87/84/75/656878475.db2.gz HUDNUQKNARJXST-VIFPVBQESA-N 1 2 298.343 -1.961 20 0 CAADLO O=C([C@@H]1CCNC1=O)N1CC[NH+](CCn2cncn2)CC1 ZINC000949648561 656879476 /nfs/dbraw/zinc/87/94/76/656879476.db2.gz JWFUPZBRYVWSJV-LLVKDONJSA-N 1 2 292.343 -1.442 20 0 CAADLO Cn1c[nH+]cc1CN1CCN(C(=O)[C@@H]2CNC(=O)N2)CC1 ZINC000949953862 656881196 /nfs/dbraw/zinc/88/11/96/656881196.db2.gz XMCRVZATNHQGDW-NSHDSACASA-N 1 2 292.343 -1.254 20 0 CAADLO NC(=O)CC(=O)N1CCC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC000950257200 656882721 /nfs/dbraw/zinc/88/27/21/656882721.db2.gz DEADZFPJAJDGHL-SECBINFHSA-N 1 2 293.327 -1.065 20 0 CAADLO NC(=O)CC(=O)N1CCC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000950261295 656882833 /nfs/dbraw/zinc/88/28/33/656882833.db2.gz ZRMYJIQTBBHUJQ-SNVBAGLBSA-N 1 2 293.327 -1.134 20 0 CAADLO NC(=O)c1ccc(C(=O)N2CC[NH+](CCO)CC2)[nH]1 ZINC000950545602 656883946 /nfs/dbraw/zinc/88/39/46/656883946.db2.gz NBONQOBRJWTWOY-UHFFFAOYSA-N 1 2 266.301 -1.136 20 0 CAADLO Cc1nc(N2CCN(CC(=O)N(C)C)CC2)nc(N)[nH+]1 ZINC000631040203 656885691 /nfs/dbraw/zinc/88/56/91/656885691.db2.gz HOOGHZGQXXCDFH-UHFFFAOYSA-N 1 2 279.348 -1.028 20 0 CAADLO NC(=O)C(=O)N[C@@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC000951149669 656886600 /nfs/dbraw/zinc/88/66/00/656886600.db2.gz QVTGZLMHZLSWRB-SNVBAGLBSA-N 1 2 293.327 -1.065 20 0 CAADLO NC(=O)C(=O)N[C@@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC000951149669 656886602 /nfs/dbraw/zinc/88/66/02/656886602.db2.gz QVTGZLMHZLSWRB-SNVBAGLBSA-N 1 2 293.327 -1.065 20 0 CAADLO NC(=O)C(=O)N[C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000951814443 656890763 /nfs/dbraw/zinc/89/07/63/656890763.db2.gz MLBIVQOBFGWRCX-QMMMGPOBSA-N 1 2 279.300 -1.455 20 0 CAADLO Cn1c[nH+]cc1CC(=O)N[C@H]1CCCN(C(=O)C(N)=O)C1 ZINC000951850993 656891144 /nfs/dbraw/zinc/89/11/44/656891144.db2.gz DGYMCJHOOOOBPS-VIFPVBQESA-N 1 2 293.327 -1.445 20 0 CAADLO NC(=O)C(=O)N1CCC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000951854430 656892214 /nfs/dbraw/zinc/89/22/14/656892214.db2.gz XLEAABUZSVXXFT-MRVPVSSYSA-N 1 2 279.300 -1.455 20 0 CAADLO NC(=O)C(=O)N1CCC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000951860459 656892611 /nfs/dbraw/zinc/89/26/11/656892611.db2.gz IBEPHTMETWHZFS-VIFPVBQESA-N 1 2 279.300 -1.524 20 0 CAADLO NC(=O)C(=O)N1CCC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC000951859324 656893075 /nfs/dbraw/zinc/89/30/75/656893075.db2.gz XITJKGQWBVUFEH-MRVPVSSYSA-N 1 2 279.300 -1.455 20 0 CAADLO C[C@H](C(N)=O)N1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000952403436 656895299 /nfs/dbraw/zinc/89/52/99/656895299.db2.gz NWYVOEHSMFRQMT-SECBINFHSA-N 1 2 265.317 -1.030 20 0 CAADLO O=C(Cc1[nH]cc[nH+]1)N1CCN([C@H]2CCNC2=O)CC1 ZINC000952403699 656895319 /nfs/dbraw/zinc/89/53/19/656895319.db2.gz YSXJAGIYRNHGIM-JTQLQIEISA-N 1 2 277.328 -1.015 20 0 CAADLO O=C(Cc1[nH]cc[nH+]1)N1CCN([C@@H]2CCNC2=O)CC1 ZINC000952403700 656895392 /nfs/dbraw/zinc/89/53/92/656895392.db2.gz YSXJAGIYRNHGIM-SNVBAGLBSA-N 1 2 277.328 -1.015 20 0 CAADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC(N(C)C(=O)C(N)=O)C1 ZINC000955163037 656902276 /nfs/dbraw/zinc/90/22/76/656902276.db2.gz GXZNMWPIOSWGKD-MRVPVSSYSA-N 1 2 293.327 -1.257 20 0 CAADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC(N(C)C(=O)C(N)=O)C1 ZINC000955163037 656902285 /nfs/dbraw/zinc/90/22/85/656902285.db2.gz GXZNMWPIOSWGKD-MRVPVSSYSA-N 1 2 293.327 -1.257 20 0 CAADLO C[C@@H]1C[C@@H](NC(=O)C(N)=O)CCN1C(=O)Cn1cc[nH+]c1 ZINC000955731321 656902831 /nfs/dbraw/zinc/90/28/31/656902831.db2.gz UOPRPRXMJHJOOI-ZJUUUORDSA-N 1 2 293.327 -1.136 20 0 CAADLO C[C@@H]1C[C@@H](NC(=O)Cc2[nH]cc[nH+]2)CCN1C(=O)C(N)=O ZINC000955792909 656903767 /nfs/dbraw/zinc/90/37/67/656903767.db2.gz AVJYKISRNOITBY-BDAKNGLRSA-N 1 2 293.327 -1.067 20 0 CAADLO C[C@H]1C[C@@H](NC(=O)Cc2[nH]cc[nH+]2)CCN1C(=O)C(N)=O ZINC000955792913 656904526 /nfs/dbraw/zinc/90/45/26/656904526.db2.gz AVJYKISRNOITBY-IUCAKERBSA-N 1 2 293.327 -1.067 20 0 CAADLO C[C@@H]1C[C@H](NC(=O)Cc2c[nH]c[nH+]2)CCN1C(=O)C(N)=O ZINC000955802089 656905448 /nfs/dbraw/zinc/90/54/48/656905448.db2.gz HPMLZOJNYUKFMD-RKDXNWHRSA-N 1 2 293.327 -1.067 20 0 CAADLO C[C@H]1C[C@H](NC(=O)Cc2c[nH]c[nH+]2)CCN1C(=O)C(N)=O ZINC000955802074 656905667 /nfs/dbraw/zinc/90/56/67/656905667.db2.gz HPMLZOJNYUKFMD-DTWKUNHWSA-N 1 2 293.327 -1.067 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CCC[C@H](NC(=O)c2cnnn2C)C1 ZINC001007251054 656905777 /nfs/dbraw/zinc/90/57/77/656905777.db2.gz PSBYNOOKJSENFX-BDAKNGLRSA-N 1 2 280.332 -1.117 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CCC[C@H](NC(=O)c2cnnn2C)C1 ZINC001007251054 656905790 /nfs/dbraw/zinc/90/57/90/656905790.db2.gz PSBYNOOKJSENFX-BDAKNGLRSA-N 1 2 280.332 -1.117 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CCC[C@@H](NC(=O)c2cnnn2C)C1 ZINC001007251058 656906854 /nfs/dbraw/zinc/90/68/54/656906854.db2.gz PSBYNOOKJSENFX-DTWKUNHWSA-N 1 2 280.332 -1.117 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CCC[C@@H](NC(=O)c2cnnn2C)C1 ZINC001007251058 656906864 /nfs/dbraw/zinc/90/68/64/656906864.db2.gz PSBYNOOKJSENFX-DTWKUNHWSA-N 1 2 280.332 -1.117 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CCC[C@@H](NC(=O)c2ncn(C)n2)C1 ZINC001007262065 656915041 /nfs/dbraw/zinc/91/50/41/656915041.db2.gz PFWNWZKAISRCST-RKDXNWHRSA-N 1 2 280.332 -1.117 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CCC[C@@H](NC(=O)c2ncn(C)n2)C1 ZINC001007262065 656915048 /nfs/dbraw/zinc/91/50/48/656915048.db2.gz PFWNWZKAISRCST-RKDXNWHRSA-N 1 2 280.332 -1.117 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CCC[C@H](NC(=O)c2ncn(C)n2)C1 ZINC001007262062 656915370 /nfs/dbraw/zinc/91/53/70/656915370.db2.gz PFWNWZKAISRCST-BDAKNGLRSA-N 1 2 280.332 -1.117 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CCC[C@H](NC(=O)c2ncn(C)n2)C1 ZINC001007262062 656915386 /nfs/dbraw/zinc/91/53/86/656915386.db2.gz PFWNWZKAISRCST-BDAKNGLRSA-N 1 2 280.332 -1.117 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2COC(=O)N2)C1 ZINC001007262760 656915857 /nfs/dbraw/zinc/91/58/57/656915857.db2.gz RRBPXNITPJMDRD-SFYZADRCSA-N 1 2 270.289 -1.839 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2COC(=O)N2)C1 ZINC001007262760 656915871 /nfs/dbraw/zinc/91/58/71/656915871.db2.gz RRBPXNITPJMDRD-SFYZADRCSA-N 1 2 270.289 -1.839 20 0 CAADLO C[C@@H](C(N)=O)N1CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC000957331133 656918504 /nfs/dbraw/zinc/91/85/04/656918504.db2.gz YPMCQQWGLUQHEX-JTQLQIEISA-N 1 2 279.344 -1.019 20 0 CAADLO O=C(c1cc(=O)n2[nH]cnc2n1)N1CC[NH+](CCO)CC1 ZINC000957319296 656918890 /nfs/dbraw/zinc/91/88/90/656918890.db2.gz HBNNHAIUGNBBBG-UHFFFAOYSA-N 1 2 292.299 -1.832 20 0 CAADLO Cc1[nH+]c[nH]c1CC(=O)N1CCN(CC(N)=O)CC1 ZINC000957472521 656920623 /nfs/dbraw/zinc/92/06/23/656920623.db2.gz FBEPREUVWNQTTK-UHFFFAOYSA-N 1 2 265.317 -1.110 20 0 CAADLO C[C@H](O)C[NH+]1CCN(C(=O)c2nccnc2C(N)=O)CC1 ZINC000957589404 656921964 /nfs/dbraw/zinc/92/19/64/656921964.db2.gz HPHDGNABFBIFQG-VIFPVBQESA-N 1 2 293.327 -1.286 20 0 CAADLO NC(=O)c1cc(C(=O)N2CC[NH+](CCO)CC2)c[nH]1 ZINC000957669236 656922153 /nfs/dbraw/zinc/92/21/53/656922153.db2.gz DWILLHHRFURPTR-UHFFFAOYSA-N 1 2 266.301 -1.136 20 0 CAADLO CS(=O)(=O)CC[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)C2CC2)C1 ZINC000957784476 656924506 /nfs/dbraw/zinc/92/45/06/656924506.db2.gz QBPHMQLOBBGJGT-WDEREUQCSA-N 1 2 290.385 -1.150 20 0 CAADLO CS(=O)(=O)CC[N@H+]1C[C@@H](O)[C@@H](CNC(=O)C2CC2)C1 ZINC000957784476 656924523 /nfs/dbraw/zinc/92/45/23/656924523.db2.gz QBPHMQLOBBGJGT-WDEREUQCSA-N 1 2 290.385 -1.150 20 0 CAADLO Cn1[nH]c(C[N@@H+]2C[C@@H](O)[C@@H](CNC(=O)C3CC3)C2)nc1=O ZINC000957785052 656924998 /nfs/dbraw/zinc/92/49/98/656924998.db2.gz UBJMPKUUYDXDOB-VHSXEESVSA-N 1 2 295.343 -1.573 20 0 CAADLO Cn1[nH]c(C[N@H+]2C[C@@H](O)[C@@H](CNC(=O)C3CC3)C2)nc1=O ZINC000957785052 656925023 /nfs/dbraw/zinc/92/50/23/656925023.db2.gz UBJMPKUUYDXDOB-VHSXEESVSA-N 1 2 295.343 -1.573 20 0 CAADLO Cn1[nH]c(C[N@@H+]2C[C@H](O)[C@H](CNC(=O)C3CC3)C2)nc1=O ZINC000957785053 656926310 /nfs/dbraw/zinc/92/63/10/656926310.db2.gz UBJMPKUUYDXDOB-ZJUUUORDSA-N 1 2 295.343 -1.573 20 0 CAADLO Cn1[nH]c(C[N@H+]2C[C@H](O)[C@H](CNC(=O)C3CC3)C2)nc1=O ZINC000957785053 656926316 /nfs/dbraw/zinc/92/63/16/656926316.db2.gz UBJMPKUUYDXDOB-ZJUUUORDSA-N 1 2 295.343 -1.573 20 0 CAADLO Cn1[nH]c(C[N@H+]2C[C@@H](CNC(=O)C3CC3)[C@H](O)C2)nc1=O ZINC000957785050 656926780 /nfs/dbraw/zinc/92/67/80/656926780.db2.gz UBJMPKUUYDXDOB-NXEZZACHSA-N 1 2 295.343 -1.573 20 0 CAADLO Cn1[nH]c(C[N@@H+]2C[C@@H](CNC(=O)C3CC3)[C@H](O)C2)nc1=O ZINC000957785050 656926786 /nfs/dbraw/zinc/92/67/86/656926786.db2.gz UBJMPKUUYDXDOB-NXEZZACHSA-N 1 2 295.343 -1.573 20 0 CAADLO CS(=O)(=O)CC[N@@H+]1C[C@H](O)[C@H](CNC(=O)C2CC2)C1 ZINC000957784474 656926912 /nfs/dbraw/zinc/92/69/12/656926912.db2.gz QBPHMQLOBBGJGT-MNOVXSKESA-N 1 2 290.385 -1.150 20 0 CAADLO CS(=O)(=O)CC[N@H+]1C[C@H](O)[C@H](CNC(=O)C2CC2)C1 ZINC000957784474 656926920 /nfs/dbraw/zinc/92/69/20/656926920.db2.gz QBPHMQLOBBGJGT-MNOVXSKESA-N 1 2 290.385 -1.150 20 0 CAADLO Cc1cc(C(=O)NC[C@H]2C[N@H+](CC(N)=O)C[C@@H]2O)on1 ZINC000957859763 656929773 /nfs/dbraw/zinc/92/97/73/656929773.db2.gz VCBRKXLVKMXWOH-IUCAKERBSA-N 1 2 282.300 -1.509 20 0 CAADLO Cc1cc(C(=O)NC[C@H]2C[N@@H+](CC(N)=O)C[C@@H]2O)on1 ZINC000957859763 656929788 /nfs/dbraw/zinc/92/97/88/656929788.db2.gz VCBRKXLVKMXWOH-IUCAKERBSA-N 1 2 282.300 -1.509 20 0 CAADLO NC(=O)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2cnns2)C1 ZINC000957902704 656930317 /nfs/dbraw/zinc/93/03/17/656930317.db2.gz VUCQOAACPWFJIC-RQJHMYQMSA-N 1 2 285.329 -1.954 20 0 CAADLO NC(=O)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2cnns2)C1 ZINC000957902704 656930324 /nfs/dbraw/zinc/93/03/24/656930324.db2.gz VUCQOAACPWFJIC-RQJHMYQMSA-N 1 2 285.329 -1.954 20 0 CAADLO NC(=O)C[N@H+]1C[C@@H](CNC(=O)c2cnns2)[C@H](O)C1 ZINC000957902703 656930712 /nfs/dbraw/zinc/93/07/12/656930712.db2.gz VUCQOAACPWFJIC-RNFRBKRXSA-N 1 2 285.329 -1.954 20 0 CAADLO NC(=O)C[N@@H+]1C[C@@H](CNC(=O)c2cnns2)[C@H](O)C1 ZINC000957902703 656930722 /nfs/dbraw/zinc/93/07/22/656930722.db2.gz VUCQOAACPWFJIC-RNFRBKRXSA-N 1 2 285.329 -1.954 20 0 CAADLO NC(=O)c1ccc(C(=O)N2CC[NH+](CCO)CC2)nc1 ZINC000957885027 656930858 /nfs/dbraw/zinc/93/08/58/656930858.db2.gz CMEGEEIRMVVQNL-UHFFFAOYSA-N 1 2 278.312 -1.069 20 0 CAADLO NC(=O)N1CCC[C@H]1C(=O)N1CC[NH+](CCO)CC1 ZINC000957915931 656934417 /nfs/dbraw/zinc/93/44/17/656934417.db2.gz PDOMAWZSSGACBZ-JTQLQIEISA-N 1 2 270.333 -1.334 20 0 CAADLO NC(=O)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2ncccc2O)C1 ZINC000957995557 656940729 /nfs/dbraw/zinc/94/07/29/656940729.db2.gz NPKXZLUDWVXKLM-WCBMZHEXSA-N 1 2 294.311 -1.705 20 0 CAADLO NC(=O)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2ncccc2O)C1 ZINC000957995557 656940736 /nfs/dbraw/zinc/94/07/36/656940736.db2.gz NPKXZLUDWVXKLM-WCBMZHEXSA-N 1 2 294.311 -1.705 20 0 CAADLO O=C(Cn1cnnn1)N[C@@H]1[C@H]2C[N@H+](Cc3ccon3)C[C@H]21 ZINC000958185251 656948819 /nfs/dbraw/zinc/94/88/19/656948819.db2.gz PCTVDRYOCTWCPZ-IAZYJMLFSA-N 1 2 289.299 -1.092 20 0 CAADLO O=C(Cn1cnnn1)N[C@@H]1[C@H]2C[N@@H+](Cc3ccon3)C[C@H]21 ZINC000958185251 656948824 /nfs/dbraw/zinc/94/88/24/656948824.db2.gz PCTVDRYOCTWCPZ-IAZYJMLFSA-N 1 2 289.299 -1.092 20 0 CAADLO O=C(NC[C@@H]1C[N@@H+](CCF)C[C@@H]1O)c1cn[nH]n1 ZINC000958207068 656950350 /nfs/dbraw/zinc/95/03/50/656950350.db2.gz QTVZDPROEXYVKE-APPZFPTMSA-N 1 2 257.269 -1.203 20 0 CAADLO O=C(NC[C@@H]1C[N@H+](CCF)C[C@@H]1O)c1cn[nH]n1 ZINC000958207068 656950364 /nfs/dbraw/zinc/95/03/64/656950364.db2.gz QTVZDPROEXYVKE-APPZFPTMSA-N 1 2 257.269 -1.203 20 0 CAADLO O=C(NC[C@@H]1C[N@@H+](CCF)C[C@@H]1O)c1cnn[nH]1 ZINC000958207068 656950371 /nfs/dbraw/zinc/95/03/71/656950371.db2.gz QTVZDPROEXYVKE-APPZFPTMSA-N 1 2 257.269 -1.203 20 0 CAADLO O=C(NC[C@@H]1C[N@H+](CCF)C[C@@H]1O)c1cnn[nH]1 ZINC000958207068 656950383 /nfs/dbraw/zinc/95/03/83/656950383.db2.gz QTVZDPROEXYVKE-APPZFPTMSA-N 1 2 257.269 -1.203 20 0 CAADLO O=C(NC[C@H]1C[N@@H+](CCF)C[C@@H]1O)c1cn[nH]n1 ZINC000958207069 656951092 /nfs/dbraw/zinc/95/10/92/656951092.db2.gz QTVZDPROEXYVKE-CBAPKCEASA-N 1 2 257.269 -1.203 20 0 CAADLO O=C(NC[C@H]1C[N@H+](CCF)C[C@@H]1O)c1cn[nH]n1 ZINC000958207069 656951107 /nfs/dbraw/zinc/95/11/07/656951107.db2.gz QTVZDPROEXYVKE-CBAPKCEASA-N 1 2 257.269 -1.203 20 0 CAADLO O=C(NC[C@H]1C[N@@H+](CCF)C[C@@H]1O)c1cnn[nH]1 ZINC000958207069 656951123 /nfs/dbraw/zinc/95/11/23/656951123.db2.gz QTVZDPROEXYVKE-CBAPKCEASA-N 1 2 257.269 -1.203 20 0 CAADLO O=C(NC[C@H]1C[N@H+](CCF)C[C@@H]1O)c1cnn[nH]1 ZINC000958207069 656951137 /nfs/dbraw/zinc/95/11/37/656951137.db2.gz QTVZDPROEXYVKE-CBAPKCEASA-N 1 2 257.269 -1.203 20 0 CAADLO Cn1nnc(C(=O)NC[C@@H]2C[N@H+](CC(N)=O)C[C@H]2O)n1 ZINC000958316966 656955465 /nfs/dbraw/zinc/95/54/65/656955465.db2.gz QFYYVEGTYKOMRZ-RNFRBKRXSA-N 1 2 283.292 -3.282 20 0 CAADLO Cn1nnc(C(=O)NC[C@@H]2C[N@@H+](CC(N)=O)C[C@H]2O)n1 ZINC000958316966 656955471 /nfs/dbraw/zinc/95/54/71/656955471.db2.gz QFYYVEGTYKOMRZ-RNFRBKRXSA-N 1 2 283.292 -3.282 20 0 CAADLO C[C@@H]1CN(C(=O)C(N)=O)C[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC000958340877 656959810 /nfs/dbraw/zinc/95/98/10/656959810.db2.gz CVOFDHLLDSGAJT-RKDXNWHRSA-N 1 2 279.300 -1.669 20 0 CAADLO NC(=O)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cnon2)C1 ZINC000958503830 656970344 /nfs/dbraw/zinc/97/03/44/656970344.db2.gz TUWMDLKDOZUUNF-POYBYMJQSA-N 1 2 269.261 -2.423 20 0 CAADLO NC(=O)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cnon2)C1 ZINC000958503830 656970362 /nfs/dbraw/zinc/97/03/62/656970362.db2.gz TUWMDLKDOZUUNF-POYBYMJQSA-N 1 2 269.261 -2.423 20 0 CAADLO O=C(NC[C@H]1C[N@@H+](CCF)C[C@@H]1O)c1ncn[nH]1 ZINC000958503118 656970482 /nfs/dbraw/zinc/97/04/82/656970482.db2.gz OLIXJUXZXMQQTE-YUMQZZPRSA-N 1 2 257.269 -1.203 20 0 CAADLO O=C(NC[C@H]1C[N@H+](CCF)C[C@@H]1O)c1ncn[nH]1 ZINC000958503118 656970487 /nfs/dbraw/zinc/97/04/87/656970487.db2.gz OLIXJUXZXMQQTE-YUMQZZPRSA-N 1 2 257.269 -1.203 20 0 CAADLO O=C(NC[C@@H]1C[N@@H+](CCF)C[C@@H]1O)c1ncn[nH]1 ZINC000958503117 656971233 /nfs/dbraw/zinc/97/12/33/656971233.db2.gz OLIXJUXZXMQQTE-SFYZADRCSA-N 1 2 257.269 -1.203 20 0 CAADLO O=C(NC[C@@H]1C[N@H+](CCF)C[C@@H]1O)c1ncn[nH]1 ZINC000958503117 656971236 /nfs/dbraw/zinc/97/12/36/656971236.db2.gz OLIXJUXZXMQQTE-SFYZADRCSA-N 1 2 257.269 -1.203 20 0 CAADLO Cc1nonc1C(=O)NC[C@@H]1C[N@H+](CC(N)=O)C[C@@H]1O ZINC000958749449 656980265 /nfs/dbraw/zinc/98/02/65/656980265.db2.gz WTZQKQNVXHHIGR-SFYZADRCSA-N 1 2 283.288 -2.114 20 0 CAADLO Cc1nonc1C(=O)NC[C@@H]1C[N@@H+](CC(N)=O)C[C@@H]1O ZINC000958749449 656980271 /nfs/dbraw/zinc/98/02/71/656980271.db2.gz WTZQKQNVXHHIGR-SFYZADRCSA-N 1 2 283.288 -2.114 20 0 CAADLO Cc1nc(CC(=O)N[C@@H]2[C@H]3C[N@@H+]([C@H](C)C(N)=O)C[C@H]32)n[nH]1 ZINC000958817302 656982068 /nfs/dbraw/zinc/98/20/68/656982068.db2.gz YQGUEIXTJLUCBQ-WJOUQXRDSA-N 1 2 292.343 -1.424 20 0 CAADLO Cc1nc(CC(=O)N[C@@H]2[C@H]3C[N@H+]([C@H](C)C(N)=O)C[C@H]32)n[nH]1 ZINC000958817302 656982076 /nfs/dbraw/zinc/98/20/76/656982076.db2.gz YQGUEIXTJLUCBQ-WJOUQXRDSA-N 1 2 292.343 -1.424 20 0 CAADLO O=C(Cn1nccn1)N[C@@H]1[C@H]2C[N@H+](Cc3cnon3)C[C@H]21 ZINC000960108080 656993456 /nfs/dbraw/zinc/99/34/56/656993456.db2.gz AYPVDOXRQAYLDH-IAZYJMLFSA-N 1 2 289.299 -1.092 20 0 CAADLO O=C(Cn1nccn1)N[C@@H]1[C@H]2C[N@@H+](Cc3cnon3)C[C@H]21 ZINC000960108080 656993469 /nfs/dbraw/zinc/99/34/69/656993469.db2.gz AYPVDOXRQAYLDH-IAZYJMLFSA-N 1 2 289.299 -1.092 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cn[nH]n1 ZINC000960718125 656996597 /nfs/dbraw/zinc/99/65/97/656996597.db2.gz AFFJECUXAHAVPK-XZMZPDFPSA-N 1 2 264.289 -1.662 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cn[nH]n1 ZINC000960718125 656996600 /nfs/dbraw/zinc/99/66/00/656996600.db2.gz AFFJECUXAHAVPK-XZMZPDFPSA-N 1 2 264.289 -1.662 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnn[nH]1 ZINC000960718125 656996605 /nfs/dbraw/zinc/99/66/05/656996605.db2.gz AFFJECUXAHAVPK-XZMZPDFPSA-N 1 2 264.289 -1.662 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnn[nH]1 ZINC000960718125 656996610 /nfs/dbraw/zinc/99/66/10/656996610.db2.gz AFFJECUXAHAVPK-XZMZPDFPSA-N 1 2 264.289 -1.662 20 0 CAADLO O=C(C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cn[nH]n1)N1CCC1 ZINC000960744565 656997503 /nfs/dbraw/zinc/99/75/03/656997503.db2.gz RGNRDAKCQWPXIM-GDGBQDQQSA-N 1 2 290.327 -1.303 20 0 CAADLO O=C(C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cn[nH]n1)N1CCC1 ZINC000960744565 656997513 /nfs/dbraw/zinc/99/75/13/656997513.db2.gz RGNRDAKCQWPXIM-GDGBQDQQSA-N 1 2 290.327 -1.303 20 0 CAADLO O=C(C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnn[nH]1)N1CCC1 ZINC000960744565 656997525 /nfs/dbraw/zinc/99/75/25/656997525.db2.gz RGNRDAKCQWPXIM-GDGBQDQQSA-N 1 2 290.327 -1.303 20 0 CAADLO O=C(C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnn[nH]1)N1CCC1 ZINC000960744565 656997536 /nfs/dbraw/zinc/99/75/36/656997536.db2.gz RGNRDAKCQWPXIM-GDGBQDQQSA-N 1 2 290.327 -1.303 20 0 CAADLO Cn1nncc1C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cn[nH]n1 ZINC000960735252 656998231 /nfs/dbraw/zinc/99/82/31/656998231.db2.gz ANXOVKHZMQNSHT-JZYVYDRUSA-N 1 2 288.315 -1.207 20 0 CAADLO Cn1nncc1C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cn[nH]n1 ZINC000960735252 656998242 /nfs/dbraw/zinc/99/82/42/656998242.db2.gz ANXOVKHZMQNSHT-JZYVYDRUSA-N 1 2 288.315 -1.207 20 0 CAADLO CN(C)S(=O)(=O)N1CC[NH+](C[C@@H]2CCC(=O)N2)CC1 ZINC000649484902 656998939 /nfs/dbraw/zinc/99/89/39/656998939.db2.gz QKIBMYPLMKRECE-JTQLQIEISA-N 1 2 290.389 -1.311 20 0 CAADLO O=C(Cc1[nH]cc[nH+]1)N1C[C@@H](NC(=O)C(F)F)[C@@H](O)C1 ZINC000961073844 657001060 /nfs/dbraw/zinc/00/10/60/657001060.db2.gz GUAZUTXEYXGEIS-RQJHMYQMSA-N 1 2 288.254 -1.095 20 0 CAADLO O=C(Cn1cc[nH+]c1)N1C[C@@H](NC(=O)C(F)F)[C@@H](O)C1 ZINC000961086546 657001191 /nfs/dbraw/zinc/00/11/91/657001191.db2.gz GHBUIZMBEODGBW-SFYZADRCSA-N 1 2 288.254 -1.164 20 0 CAADLO O=C(Cc1c[nH+]c[nH]1)N1C[C@@H](NC(=O)C(F)F)[C@@H](O)C1 ZINC000961089797 657002016 /nfs/dbraw/zinc/00/20/16/657002016.db2.gz HCPYJBADSDLAMT-SFYZADRCSA-N 1 2 288.254 -1.095 20 0 CAADLO O=C(N[C@@H]1[C@H]2C[N@H+](Cc3ccon3)C[C@H]21)[C@@H]1CNC(=O)N1 ZINC000961632708 657008046 /nfs/dbraw/zinc/00/80/46/657008046.db2.gz WHRPLMICEKBDSD-ZRUFSTJUSA-N 1 2 291.311 -1.098 20 0 CAADLO O=C(N[C@@H]1[C@H]2C[N@@H+](Cc3ccon3)C[C@H]21)[C@@H]1CNC(=O)N1 ZINC000961632708 657008052 /nfs/dbraw/zinc/00/80/52/657008052.db2.gz WHRPLMICEKBDSD-ZRUFSTJUSA-N 1 2 291.311 -1.098 20 0 CAADLO NC(=O)C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3nc(C4CC4)no3)C[C@H]21 ZINC000961637330 657008637 /nfs/dbraw/zinc/00/86/37/657008637.db2.gz JRHWMCIJLKDEML-MBTKJCJQSA-N 1 2 291.311 -1.021 20 0 CAADLO NC(=O)C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3nc(C4CC4)no3)C[C@H]21 ZINC000961637330 657008641 /nfs/dbraw/zinc/00/86/41/657008641.db2.gz JRHWMCIJLKDEML-MBTKJCJQSA-N 1 2 291.311 -1.021 20 0 CAADLO Cn1ccnc1C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(N)=O ZINC000961641664 657008756 /nfs/dbraw/zinc/00/87/56/657008756.db2.gz SOMGVNLWMOIMDM-MBTKJCJQSA-N 1 2 263.301 -1.548 20 0 CAADLO Cn1ccnc1C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(N)=O ZINC000961641664 657008764 /nfs/dbraw/zinc/00/87/64/657008764.db2.gz SOMGVNLWMOIMDM-MBTKJCJQSA-N 1 2 263.301 -1.548 20 0 CAADLO NC(=O)C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccon3)C[C@H]21 ZINC000961639669 657008886 /nfs/dbraw/zinc/00/88/86/657008886.db2.gz NXQNTNAUCPEGBE-BRPSZJMVSA-N 1 2 250.258 -1.294 20 0 CAADLO NC(=O)C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccon3)C[C@H]21 ZINC000961639669 657008891 /nfs/dbraw/zinc/00/88/91/657008891.db2.gz NXQNTNAUCPEGBE-BRPSZJMVSA-N 1 2 250.258 -1.294 20 0 CAADLO Cc1noc([C@@H](C)[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C(N)=O)n1 ZINC000961671604 657011057 /nfs/dbraw/zinc/01/10/57/657011057.db2.gz UALYMPBQOOROHX-ZLNHGNLKSA-N 1 2 279.300 -1.029 20 0 CAADLO Cc1noc([C@@H](C)[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C(N)=O)n1 ZINC000961671604 657011066 /nfs/dbraw/zinc/01/10/66/657011066.db2.gz UALYMPBQOOROHX-ZLNHGNLKSA-N 1 2 279.300 -1.029 20 0 CAADLO NC(=O)C(=O)N1C[C@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]2C1 ZINC000961851105 657013187 /nfs/dbraw/zinc/01/31/87/657013187.db2.gz JZCYMBCONUNWGL-AOOOYVTPSA-N 1 2 291.311 -1.715 20 0 CAADLO C[C@H](C(=O)N(C)C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ncn[nH]1 ZINC000962085199 657015715 /nfs/dbraw/zinc/01/57/15/657015715.db2.gz OJNLDGXEJBZILQ-IMSYWVGJSA-N 1 2 292.343 -1.059 20 0 CAADLO C[C@H](C(=O)N(C)C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ncn[nH]1 ZINC000962085199 657015723 /nfs/dbraw/zinc/01/57/23/657015723.db2.gz OJNLDGXEJBZILQ-IMSYWVGJSA-N 1 2 292.343 -1.059 20 0 CAADLO C[C@H](C(=O)N(C)C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1nc[nH]n1 ZINC000962085199 657015729 /nfs/dbraw/zinc/01/57/29/657015729.db2.gz OJNLDGXEJBZILQ-IMSYWVGJSA-N 1 2 292.343 -1.059 20 0 CAADLO C[C@H](C(=O)N(C)C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1nc[nH]n1 ZINC000962085199 657015736 /nfs/dbraw/zinc/01/57/36/657015736.db2.gz OJNLDGXEJBZILQ-IMSYWVGJSA-N 1 2 292.343 -1.059 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1nnc[nH]1 ZINC000962089727 657016097 /nfs/dbraw/zinc/01/60/97/657016097.db2.gz VUYUTXVEBPIGAA-RULNZFCNSA-N 1 2 264.289 -1.662 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1nnc[nH]1 ZINC000962089727 657016103 /nfs/dbraw/zinc/01/61/03/657016103.db2.gz VUYUTXVEBPIGAA-RULNZFCNSA-N 1 2 264.289 -1.662 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ncn[nH]1 ZINC000962089727 657016108 /nfs/dbraw/zinc/01/61/08/657016108.db2.gz VUYUTXVEBPIGAA-RULNZFCNSA-N 1 2 264.289 -1.662 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ncn[nH]1 ZINC000962089727 657016112 /nfs/dbraw/zinc/01/61/12/657016112.db2.gz VUYUTXVEBPIGAA-RULNZFCNSA-N 1 2 264.289 -1.662 20 0 CAADLO CNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)C2CN(C(C)=O)C2)C1 ZINC001007204838 657028259 /nfs/dbraw/zinc/02/82/59/657028259.db2.gz NRWMQDKLVBFZFS-GFCCVEGCSA-N 1 2 296.371 -1.209 20 0 CAADLO CNC(=O)C[N@H+]1CCC[C@@H](NC(=O)C2CN(C(C)=O)C2)C1 ZINC001007204838 657028265 /nfs/dbraw/zinc/02/82/65/657028265.db2.gz NRWMQDKLVBFZFS-GFCCVEGCSA-N 1 2 296.371 -1.209 20 0 CAADLO C[C@H]1CC[N@H+](CC(N)=O)C[C@H]1NC(=O)Cn1cnnn1 ZINC000964969562 657030529 /nfs/dbraw/zinc/03/05/29/657030529.db2.gz UOXCXXZVNYQAHM-DTWKUNHWSA-N 1 2 281.320 -2.015 20 0 CAADLO C[C@H]1CC[N@@H+](CC(N)=O)C[C@H]1NC(=O)Cn1cnnn1 ZINC000964969562 657030533 /nfs/dbraw/zinc/03/05/33/657030533.db2.gz UOXCXXZVNYQAHM-DTWKUNHWSA-N 1 2 281.320 -2.015 20 0 CAADLO C[C@@H]1CC[N@H+](CC(N)=O)C[C@H]1NC(=O)CN1CCCC1=O ZINC000964971744 657031531 /nfs/dbraw/zinc/03/15/31/657031531.db2.gz YFGJAIGFQVEKKB-GHMZBOCLSA-N 1 2 296.371 -1.079 20 0 CAADLO C[C@@H]1CC[N@@H+](CC(N)=O)C[C@H]1NC(=O)CN1CCCC1=O ZINC000964971744 657031534 /nfs/dbraw/zinc/03/15/34/657031534.db2.gz YFGJAIGFQVEKKB-GHMZBOCLSA-N 1 2 296.371 -1.079 20 0 CAADLO NC(=O)C(=O)N[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC000965137371 657031998 /nfs/dbraw/zinc/03/19/98/657031998.db2.gz HGTLLSPKAGUKLT-SNVBAGLBSA-N 1 2 293.327 -1.134 20 0 CAADLO NC(=O)C(=O)N1CCC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC000965234810 657032127 /nfs/dbraw/zinc/03/21/27/657032127.db2.gz ONPCZOVURLOVGL-SECBINFHSA-N 1 2 293.327 -1.065 20 0 CAADLO NC(=O)C(=O)N[C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000965151199 657032583 /nfs/dbraw/zinc/03/25/83/657032583.db2.gz PTQQWHCNCALESO-SECBINFHSA-N 1 2 293.327 -1.065 20 0 CAADLO C[C@H]1CC[N@H+](CC(N)=O)C[C@H]1NC(=O)c1nccnc1N ZINC000965690141 657034224 /nfs/dbraw/zinc/03/42/24/657034224.db2.gz IFVCIDJQJVRGPU-DTWKUNHWSA-N 1 2 292.343 -1.016 20 0 CAADLO C[C@H]1CC[N@@H+](CC(N)=O)C[C@H]1NC(=O)c1nccnc1N ZINC000965690141 657034230 /nfs/dbraw/zinc/03/42/30/657034230.db2.gz IFVCIDJQJVRGPU-DTWKUNHWSA-N 1 2 292.343 -1.016 20 0 CAADLO C[C@@H]1CC[N@H+](CC(N)=O)C[C@@H]1NC(=O)c1nccnc1N ZINC000965690097 657034335 /nfs/dbraw/zinc/03/43/35/657034335.db2.gz IFVCIDJQJVRGPU-BDAKNGLRSA-N 1 2 292.343 -1.016 20 0 CAADLO C[C@@H]1CC[N@@H+](CC(N)=O)C[C@@H]1NC(=O)c1nccnc1N ZINC000965690097 657034341 /nfs/dbraw/zinc/03/43/41/657034341.db2.gz IFVCIDJQJVRGPU-BDAKNGLRSA-N 1 2 292.343 -1.016 20 0 CAADLO C[C@H]1CC[N@H+](CC(N)=O)C[C@@H]1NC(=O)c1nccnc1N ZINC000965690142 657034586 /nfs/dbraw/zinc/03/45/86/657034586.db2.gz IFVCIDJQJVRGPU-IUCAKERBSA-N 1 2 292.343 -1.016 20 0 CAADLO C[C@H]1CC[N@@H+](CC(N)=O)C[C@@H]1NC(=O)c1nccnc1N ZINC000965690142 657034594 /nfs/dbraw/zinc/03/45/94/657034594.db2.gz IFVCIDJQJVRGPU-IUCAKERBSA-N 1 2 292.343 -1.016 20 0 CAADLO C[C@@H]1CC[N@H+](CC(N)=O)C[C@H]1NC(=O)c1nccnc1N ZINC000965690143 657034989 /nfs/dbraw/zinc/03/49/89/657034989.db2.gz IFVCIDJQJVRGPU-RKDXNWHRSA-N 1 2 292.343 -1.016 20 0 CAADLO C[C@@H]1CC[N@@H+](CC(N)=O)C[C@H]1NC(=O)c1nccnc1N ZINC000965690143 657034991 /nfs/dbraw/zinc/03/49/91/657034991.db2.gz IFVCIDJQJVRGPU-RKDXNWHRSA-N 1 2 292.343 -1.016 20 0 CAADLO C[C@H]1CC[N@H+](CC(N)=O)C[C@@H]1NC(=O)CN1CCOCC1 ZINC000965921452 657035314 /nfs/dbraw/zinc/03/53/14/657035314.db2.gz KLBOLBSZGBWUPD-RYUDHWBXSA-N 1 2 298.387 -1.370 20 0 CAADLO C[C@H]1CC[N@@H+](CC(N)=O)C[C@@H]1NC(=O)CN1CCOCC1 ZINC000965921452 657035323 /nfs/dbraw/zinc/03/53/23/657035323.db2.gz KLBOLBSZGBWUPD-RYUDHWBXSA-N 1 2 298.387 -1.370 20 0 CAADLO C[C@@H]1CC[N@H+](CC(N)=O)C[C@@H]1NC(=O)c1cnn(C)c1N ZINC000965926306 657035343 /nfs/dbraw/zinc/03/53/43/657035343.db2.gz PSFWQIWARDTWIT-SCZZXKLOSA-N 1 2 294.359 -1.072 20 0 CAADLO C[C@@H]1CC[N@@H+](CC(N)=O)C[C@@H]1NC(=O)c1cnn(C)c1N ZINC000965926306 657035351 /nfs/dbraw/zinc/03/53/51/657035351.db2.gz PSFWQIWARDTWIT-SCZZXKLOSA-N 1 2 294.359 -1.072 20 0 CAADLO C[C@@H]1CC[N@H+](CC(N)=O)C[C@H]1NC(=O)c1cn(C)nn1 ZINC000965985373 657035459 /nfs/dbraw/zinc/03/54/59/657035459.db2.gz OXCZDXBDLYFXTQ-RKDXNWHRSA-N 1 2 280.332 -1.259 20 0 CAADLO C[C@@H]1CC[N@@H+](CC(N)=O)C[C@H]1NC(=O)c1cn(C)nn1 ZINC000965985373 657035464 /nfs/dbraw/zinc/03/54/64/657035464.db2.gz OXCZDXBDLYFXTQ-RKDXNWHRSA-N 1 2 280.332 -1.259 20 0 CAADLO C[C@@H]1CC[N@H+](CC(N)=O)C[C@@H]1NC(=O)CN1CN=NC1=O ZINC000965899075 657035608 /nfs/dbraw/zinc/03/56/08/657035608.db2.gz DRWOOUJUEWHGIK-BDAKNGLRSA-N 1 2 296.331 -1.704 20 0 CAADLO C[C@@H]1CC[N@@H+](CC(N)=O)C[C@@H]1NC(=O)CN1CN=NC1=O ZINC000965899075 657035615 /nfs/dbraw/zinc/03/56/15/657035615.db2.gz DRWOOUJUEWHGIK-BDAKNGLRSA-N 1 2 296.331 -1.704 20 0 CAADLO C[C@H]1CC[N@H+](CC(N)=O)C[C@H]1NC(=O)CN1CCOCC1 ZINC000965921451 657035787 /nfs/dbraw/zinc/03/57/87/657035787.db2.gz KLBOLBSZGBWUPD-NWDGAFQWSA-N 1 2 298.387 -1.370 20 0 CAADLO C[C@H]1CC[N@@H+](CC(N)=O)C[C@H]1NC(=O)CN1CCOCC1 ZINC000965921451 657035790 /nfs/dbraw/zinc/03/57/90/657035790.db2.gz KLBOLBSZGBWUPD-NWDGAFQWSA-N 1 2 298.387 -1.370 20 0 CAADLO Cc1nnc(CC(=O)N[C@H]2C[N@@H+](CC(N)=O)CC[C@@H]2C)[nH]1 ZINC000965999531 657035814 /nfs/dbraw/zinc/03/58/14/657035814.db2.gz DLNDJYYVHSAFLU-WPRPVWTQSA-N 1 2 294.359 -1.032 20 0 CAADLO Cc1nnc(CC(=O)N[C@H]2C[N@H+](CC(N)=O)CC[C@@H]2C)[nH]1 ZINC000965999531 657035820 /nfs/dbraw/zinc/03/58/20/657035820.db2.gz DLNDJYYVHSAFLU-WPRPVWTQSA-N 1 2 294.359 -1.032 20 0 CAADLO C[C@@H]1CC[N@H+](CC(N)=O)C[C@H]1NC(=O)c1cc(=O)n(C)o1 ZINC000965960013 657035857 /nfs/dbraw/zinc/03/58/57/657035857.db2.gz ZSWZOZYAYYDGKA-RKDXNWHRSA-N 1 2 296.327 -1.096 20 0 CAADLO C[C@@H]1CC[N@@H+](CC(N)=O)C[C@H]1NC(=O)c1cc(=O)n(C)o1 ZINC000965960013 657035865 /nfs/dbraw/zinc/03/58/65/657035865.db2.gz ZSWZOZYAYYDGKA-RKDXNWHRSA-N 1 2 296.327 -1.096 20 0 CAADLO C[C@@H]1CC[N@H+](CC(N)=O)C[C@@H]1NC(=O)c1cn(C)nn1 ZINC000965985369 657036035 /nfs/dbraw/zinc/03/60/35/657036035.db2.gz OXCZDXBDLYFXTQ-BDAKNGLRSA-N 1 2 280.332 -1.259 20 0 CAADLO C[C@@H]1CC[N@@H+](CC(N)=O)C[C@@H]1NC(=O)c1cn(C)nn1 ZINC000965985369 657036042 /nfs/dbraw/zinc/03/60/42/657036042.db2.gz OXCZDXBDLYFXTQ-BDAKNGLRSA-N 1 2 280.332 -1.259 20 0 CAADLO C[C@@H]1CC[N@H+](CC(N)=O)C[C@H]1NC(=O)CN1CCOCC1 ZINC000965921453 657036233 /nfs/dbraw/zinc/03/62/33/657036233.db2.gz KLBOLBSZGBWUPD-VXGBXAGGSA-N 1 2 298.387 -1.370 20 0 CAADLO C[C@@H]1CC[N@@H+](CC(N)=O)C[C@H]1NC(=O)CN1CCOCC1 ZINC000965921453 657036237 /nfs/dbraw/zinc/03/62/37/657036237.db2.gz KLBOLBSZGBWUPD-VXGBXAGGSA-N 1 2 298.387 -1.370 20 0 CAADLO C[C@@H]1CC[N@H+](CC(N)=O)C[C@@H]1NC(=O)c1cnnn1C ZINC000965979013 657036341 /nfs/dbraw/zinc/03/63/41/657036341.db2.gz AVMUZLQMTBSALC-BDAKNGLRSA-N 1 2 280.332 -1.259 20 0 CAADLO C[C@@H]1CC[N@@H+](CC(N)=O)C[C@@H]1NC(=O)c1cnnn1C ZINC000965979013 657036347 /nfs/dbraw/zinc/03/63/47/657036347.db2.gz AVMUZLQMTBSALC-BDAKNGLRSA-N 1 2 280.332 -1.259 20 0 CAADLO C[C@@H]1CC[N@H+](CC(N)=O)C[C@H]1NC(=O)c1cnn(C)c1N ZINC000965926303 657036551 /nfs/dbraw/zinc/03/65/51/657036551.db2.gz PSFWQIWARDTWIT-PSASIEDQSA-N 1 2 294.359 -1.072 20 0 CAADLO C[C@@H]1CC[N@@H+](CC(N)=O)C[C@H]1NC(=O)c1cnn(C)c1N ZINC000965926303 657036561 /nfs/dbraw/zinc/03/65/61/657036561.db2.gz PSFWQIWARDTWIT-PSASIEDQSA-N 1 2 294.359 -1.072 20 0 CAADLO C[C@H]1CC[N@H+](CC(N)=O)C[C@H]1NC(=O)c1cn(C)nn1 ZINC000965985371 657036588 /nfs/dbraw/zinc/03/65/88/657036588.db2.gz OXCZDXBDLYFXTQ-DTWKUNHWSA-N 1 2 280.332 -1.259 20 0 CAADLO C[C@H]1CC[N@@H+](CC(N)=O)C[C@H]1NC(=O)c1cn(C)nn1 ZINC000965985371 657036596 /nfs/dbraw/zinc/03/65/96/657036596.db2.gz OXCZDXBDLYFXTQ-DTWKUNHWSA-N 1 2 280.332 -1.259 20 0 CAADLO Cc1nnc(CC(=O)N[C@@H]2C[N@@H+](CC(N)=O)CC[C@@H]2C)[nH]1 ZINC000965999530 657036667 /nfs/dbraw/zinc/03/66/67/657036667.db2.gz DLNDJYYVHSAFLU-WCBMZHEXSA-N 1 2 294.359 -1.032 20 0 CAADLO Cc1nnc(CC(=O)N[C@@H]2C[N@H+](CC(N)=O)CC[C@@H]2C)[nH]1 ZINC000965999530 657036672 /nfs/dbraw/zinc/03/66/72/657036672.db2.gz DLNDJYYVHSAFLU-WCBMZHEXSA-N 1 2 294.359 -1.032 20 0 CAADLO C[C@H]1CC[N@H+](CC(N)=O)C[C@H]1NC(=O)c1cnnn1C ZINC000965979014 657036700 /nfs/dbraw/zinc/03/67/00/657036700.db2.gz AVMUZLQMTBSALC-DTWKUNHWSA-N 1 2 280.332 -1.259 20 0 CAADLO C[C@H]1CC[N@@H+](CC(N)=O)C[C@H]1NC(=O)c1cnnn1C ZINC000965979014 657036705 /nfs/dbraw/zinc/03/67/05/657036705.db2.gz AVMUZLQMTBSALC-DTWKUNHWSA-N 1 2 280.332 -1.259 20 0 CAADLO Cc1nnc(CC(=O)N[C@H]2C[N@@H+](CC(N)=O)CC[C@H]2C)[nH]1 ZINC000965999529 657036719 /nfs/dbraw/zinc/03/67/19/657036719.db2.gz DLNDJYYVHSAFLU-SCZZXKLOSA-N 1 2 294.359 -1.032 20 0 CAADLO Cc1nnc(CC(=O)N[C@H]2C[N@H+](CC(N)=O)CC[C@H]2C)[nH]1 ZINC000965999529 657036725 /nfs/dbraw/zinc/03/67/25/657036725.db2.gz DLNDJYYVHSAFLU-SCZZXKLOSA-N 1 2 294.359 -1.032 20 0 CAADLO C[C@@H]1CC[N@H+](CC(N)=O)C[C@@H]1NC(=O)Cn1ncnn1 ZINC000966138594 657037185 /nfs/dbraw/zinc/03/71/85/657037185.db2.gz WUKOHYQODXELOS-BDAKNGLRSA-N 1 2 281.320 -2.015 20 0 CAADLO C[C@@H]1CC[N@@H+](CC(N)=O)C[C@@H]1NC(=O)Cn1ncnn1 ZINC000966138594 657037189 /nfs/dbraw/zinc/03/71/89/657037189.db2.gz WUKOHYQODXELOS-BDAKNGLRSA-N 1 2 281.320 -2.015 20 0 CAADLO C[C@H]1CC[N@H+](CC(N)=O)C[C@H]1NC(=O)Cn1ncnn1 ZINC000966138597 657037462 /nfs/dbraw/zinc/03/74/62/657037462.db2.gz WUKOHYQODXELOS-DTWKUNHWSA-N 1 2 281.320 -2.015 20 0 CAADLO C[C@H]1CC[N@@H+](CC(N)=O)C[C@H]1NC(=O)Cn1ncnn1 ZINC000966138597 657037466 /nfs/dbraw/zinc/03/74/66/657037466.db2.gz WUKOHYQODXELOS-DTWKUNHWSA-N 1 2 281.320 -2.015 20 0 CAADLO C[C@@H]1CC[N@H+](CC(N)=O)C[C@H]1NC(=O)Cn1ncnn1 ZINC000966138601 657037860 /nfs/dbraw/zinc/03/78/60/657037860.db2.gz WUKOHYQODXELOS-RKDXNWHRSA-N 1 2 281.320 -2.015 20 0 CAADLO C[C@@H]1CC[N@@H+](CC(N)=O)C[C@H]1NC(=O)Cn1ncnn1 ZINC000966138601 657037865 /nfs/dbraw/zinc/03/78/65/657037865.db2.gz WUKOHYQODXELOS-RKDXNWHRSA-N 1 2 281.320 -2.015 20 0 CAADLO C[C@@H]1CN(C(=O)CC(N)=O)C[C@@H]1NC(=O)Cn1cc[nH+]c1 ZINC000966271110 657038721 /nfs/dbraw/zinc/03/87/21/657038721.db2.gz OLJPNSAEGFKGRQ-ZJUUUORDSA-N 1 2 293.327 -1.278 20 0 CAADLO C[C@H]1CN(C(=O)CC(N)=O)C[C@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC000966255508 657039154 /nfs/dbraw/zinc/03/91/54/657039154.db2.gz DACARZVYBLVYCW-WCBMZHEXSA-N 1 2 293.327 -1.209 20 0 CAADLO C[C@H]1CN(C(=O)CC(N)=O)C[C@@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC000966281339 657039958 /nfs/dbraw/zinc/03/99/58/657039958.db2.gz VOGSSJOHVOPIPP-IUCAKERBSA-N 1 2 293.327 -1.209 20 0 CAADLO C[C@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@@H]1NC(=O)C(N)=O ZINC000966521169 657040557 /nfs/dbraw/zinc/04/05/57/657040557.db2.gz XYMZVHLZUBJCJS-WPRPVWTQSA-N 1 2 293.327 -1.209 20 0 CAADLO C[C@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@@H]1NC(=O)C(N)=O ZINC000966521169 657040562 /nfs/dbraw/zinc/04/05/62/657040562.db2.gz XYMZVHLZUBJCJS-WPRPVWTQSA-N 1 2 293.327 -1.209 20 0 CAADLO C[C@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@@H]1NC(=O)C(N)=O ZINC000966375547 657040750 /nfs/dbraw/zinc/04/07/50/657040750.db2.gz KPQFRNOKVANGRN-IUCAKERBSA-N 1 2 293.327 -1.209 20 0 CAADLO C[C@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1NC(=O)C(N)=O ZINC000966375545 657041262 /nfs/dbraw/zinc/04/12/62/657041262.db2.gz KPQFRNOKVANGRN-DTWKUNHWSA-N 1 2 293.327 -1.209 20 0 CAADLO C[C@H]1CC[N@H+](CC(N)=O)C[C@H]1NC(=O)Cn1nccn1 ZINC000966419802 657041343 /nfs/dbraw/zinc/04/13/43/657041343.db2.gz IGKKQISMEKWZMW-VHSXEESVSA-N 1 2 280.332 -1.410 20 0 CAADLO C[C@H]1CC[N@@H+](CC(N)=O)C[C@H]1NC(=O)Cn1nccn1 ZINC000966419802 657041346 /nfs/dbraw/zinc/04/13/46/657041346.db2.gz IGKKQISMEKWZMW-VHSXEESVSA-N 1 2 280.332 -1.410 20 0 CAADLO C[C@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1NC(=O)C(N)=O ZINC000966550562 657041806 /nfs/dbraw/zinc/04/18/06/657041806.db2.gz IFKYWYYBORFFFI-DTWKUNHWSA-N 1 2 279.300 -1.669 20 0 CAADLO C[C@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1NC(=O)C(N)=O ZINC000966550563 657042256 /nfs/dbraw/zinc/04/22/56/657042256.db2.gz IFKYWYYBORFFFI-IUCAKERBSA-N 1 2 279.300 -1.669 20 0 CAADLO Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](C)[C@@H](NC(=O)C(N)=O)C1 ZINC000966655151 657042352 /nfs/dbraw/zinc/04/23/52/657042352.db2.gz XSLPADJBCHONHB-XCBNKYQSSA-N 1 2 293.327 -1.291 20 0 CAADLO C[C@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1NC(=O)C(N)=O ZINC000966610806 657042441 /nfs/dbraw/zinc/04/24/41/657042441.db2.gz QJOGZAKTXPQXDW-WCBMZHEXSA-N 1 2 293.327 -1.589 20 0 CAADLO Cc1[nH+]c[nH]c1CC(=O)N1C[C@H](NC(=O)C(N)=O)[C@@H](C)C1 ZINC000966655152 657042550 /nfs/dbraw/zinc/04/25/50/657042550.db2.gz XSLPADJBCHONHB-XVKPBYJWSA-N 1 2 293.327 -1.291 20 0 CAADLO C[C@H]1CN(C(=O)C(N)=O)C[C@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC000966758050 657045203 /nfs/dbraw/zinc/04/52/03/657045203.db2.gz XEJRWWXPUHNRGA-JGVFFNPUSA-N 1 2 279.300 -1.599 20 0 CAADLO C[C@@H]1CN(C(=O)C(N)=O)C[C@@H]1NC(=O)Cc1c[nH+]cn1C ZINC000966749540 657045571 /nfs/dbraw/zinc/04/55/71/657045571.db2.gz GJEBNUDPONSPGV-SCZZXKLOSA-N 1 2 293.327 -1.589 20 0 CAADLO C[C@H]1CN(C(=O)C(N)=O)C[C@@H]1NC(=O)Cc1c[nH+]cn1C ZINC000966749543 657045674 /nfs/dbraw/zinc/04/56/74/657045674.db2.gz GJEBNUDPONSPGV-WPRPVWTQSA-N 1 2 293.327 -1.589 20 0 CAADLO C[C@H]1CN(C(=O)C(N)=O)C[C@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC000966760889 657046348 /nfs/dbraw/zinc/04/63/48/657046348.db2.gz NGODZLNTEGUJBR-IONNQARKSA-N 1 2 279.300 -1.599 20 0 CAADLO C[C@@H]1CN(C(=O)C(N)=O)C[C@@H]1NC(=O)Cn1cc[nH+]c1 ZINC000966760166 657046479 /nfs/dbraw/zinc/04/64/79/657046479.db2.gz CVOFDHLLDSGAJT-BDAKNGLRSA-N 1 2 279.300 -1.669 20 0 CAADLO C[C@H]1CN(C(=O)C(N)=O)C[C@@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC000966760888 657046598 /nfs/dbraw/zinc/04/65/98/657046598.db2.gz NGODZLNTEGUJBR-CBAPKCEASA-N 1 2 279.300 -1.599 20 0 CAADLO Cn1[nH]c(C[NH2+][C@@H]2CCN(C(=O)[C@@H]3CCCO3)C2)nc1=O ZINC000966854103 657047610 /nfs/dbraw/zinc/04/76/10/657047610.db2.gz DNWIAUMWCWJMDU-ZJUUUORDSA-N 1 2 295.343 -1.022 20 0 CAADLO C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1NC(=O)C(N)=O ZINC000966869430 657047635 /nfs/dbraw/zinc/04/76/35/657047635.db2.gz SPIKBQQDBVDBMN-IONNQARKSA-N 1 2 279.300 -1.599 20 0 CAADLO CNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)c2cc(=O)n(C)o2)C1 ZINC001007216515 657048018 /nfs/dbraw/zinc/04/80/18/657048018.db2.gz QPLKHHPTMCWMIB-SECBINFHSA-N 1 2 296.327 -1.082 20 0 CAADLO CNC(=O)C[N@H+]1CCC[C@@H](NC(=O)c2cc(=O)n(C)o2)C1 ZINC001007216515 657048026 /nfs/dbraw/zinc/04/80/26/657048026.db2.gz QPLKHHPTMCWMIB-SECBINFHSA-N 1 2 296.327 -1.082 20 0 CAADLO C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1NC(=O)C(N)=O ZINC000966869427 657048161 /nfs/dbraw/zinc/04/81/61/657048161.db2.gz SPIKBQQDBVDBMN-APPZFPTMSA-N 1 2 279.300 -1.599 20 0 CAADLO Cn1[nH]c(C[NH2+][C@@H]2CCN(C(=O)c3cc[nH]n3)C2)nc1=O ZINC000967277248 657048861 /nfs/dbraw/zinc/04/88/61/657048861.db2.gz WFUWPYUNBQYJJS-MRVPVSSYSA-N 1 2 291.315 -1.164 20 0 CAADLO Cn1[nH]c(C[NH2+][C@@H]2CCN(C(=O)c3ccn[nH]3)C2)nc1=O ZINC000967277248 657048867 /nfs/dbraw/zinc/04/88/67/657048867.db2.gz WFUWPYUNBQYJJS-MRVPVSSYSA-N 1 2 291.315 -1.164 20 0 CAADLO Cc1noc(C[NH2+][C@@H]2CCN(C(=O)CC(N)=O)C2)n1 ZINC000968105951 657050448 /nfs/dbraw/zinc/05/04/48/657050448.db2.gz PPWOYLCHGNCBNS-MRVPVSSYSA-N 1 2 267.289 -1.056 20 0 CAADLO Cc1nnc(C[NH2+][C@@H]2CCN(C(=O)CC(N)=O)C2)o1 ZINC000968103008 657050805 /nfs/dbraw/zinc/05/08/05/657050805.db2.gz DBERMJNUHQDJGN-MRVPVSSYSA-N 1 2 267.289 -1.056 20 0 CAADLO Cn1[nH]c(C[NH2+][C@@H]2CCN(C(=O)CC(N)=O)C2)nc1=O ZINC000968105033 657050843 /nfs/dbraw/zinc/05/08/43/657050843.db2.gz MHWNXVINDTXYPC-SSDOTTSWSA-N 1 2 282.304 -2.326 20 0 CAADLO C[C@H]1CC[N@H+](CC(=O)NC2CC2)C[C@@H]1NC(=O)C(N)=O ZINC000968133590 657051621 /nfs/dbraw/zinc/05/16/21/657051621.db2.gz UNINKSWDNQVSBY-WPRPVWTQSA-N 1 2 282.344 -1.423 20 0 CAADLO C[C@H]1CC[N@@H+](CC(=O)NC2CC2)C[C@@H]1NC(=O)C(N)=O ZINC000968133590 657051628 /nfs/dbraw/zinc/05/16/28/657051628.db2.gz UNINKSWDNQVSBY-WPRPVWTQSA-N 1 2 282.344 -1.423 20 0 CAADLO C[C@H]1CC[N@H+](CC(=O)N(C)C2CC2)C[C@@H]1NC(=O)C(N)=O ZINC000968131905 657051811 /nfs/dbraw/zinc/05/18/11/657051811.db2.gz OXLGHMCEHRSKRM-ONGXEEELSA-N 1 2 296.371 -1.081 20 0 CAADLO C[C@H]1CC[N@@H+](CC(=O)N(C)C2CC2)C[C@@H]1NC(=O)C(N)=O ZINC000968131905 657051815 /nfs/dbraw/zinc/05/18/15/657051815.db2.gz OXLGHMCEHRSKRM-ONGXEEELSA-N 1 2 296.371 -1.081 20 0 CAADLO C[C@H]1CC[N@H+](CC(=O)N2CCC2)C[C@H]1NC(=O)C(N)=O ZINC000968133150 657051932 /nfs/dbraw/zinc/05/19/32/657051932.db2.gz SOCGLEPUIKNSBG-VHSXEESVSA-N 1 2 282.344 -1.469 20 0 CAADLO C[C@H]1CC[N@@H+](CC(=O)N2CCC2)C[C@H]1NC(=O)C(N)=O ZINC000968133150 657051935 /nfs/dbraw/zinc/05/19/35/657051935.db2.gz SOCGLEPUIKNSBG-VHSXEESVSA-N 1 2 282.344 -1.469 20 0 CAADLO C[C@@H]1CC[N@H+](CC(=O)NC2CC2)C[C@H]1NC(=O)C(N)=O ZINC000968133584 657051942 /nfs/dbraw/zinc/05/19/42/657051942.db2.gz UNINKSWDNQVSBY-PSASIEDQSA-N 1 2 282.344 -1.423 20 0 CAADLO C[C@@H]1CC[N@@H+](CC(=O)NC2CC2)C[C@H]1NC(=O)C(N)=O ZINC000968133584 657051945 /nfs/dbraw/zinc/05/19/45/657051945.db2.gz UNINKSWDNQVSBY-PSASIEDQSA-N 1 2 282.344 -1.423 20 0 CAADLO Cn1nnnc1C[NH2+][C@@H]1CCN(C(=O)Cc2ccn[nH]2)C1 ZINC000968223665 657051987 /nfs/dbraw/zinc/05/19/87/657051987.db2.gz LYJDKIPEZDIOOY-SNVBAGLBSA-N 1 2 290.331 -1.134 20 0 CAADLO C[C@@H]1CC[N@H+](CC(=O)N(C)C2CC2)C[C@H]1NC(=O)C(N)=O ZINC000968131904 657052233 /nfs/dbraw/zinc/05/22/33/657052233.db2.gz OXLGHMCEHRSKRM-MWLCHTKSSA-N 1 2 296.371 -1.081 20 0 CAADLO C[C@@H]1CC[N@@H+](CC(=O)N(C)C2CC2)C[C@H]1NC(=O)C(N)=O ZINC000968131904 657052238 /nfs/dbraw/zinc/05/22/38/657052238.db2.gz OXLGHMCEHRSKRM-MWLCHTKSSA-N 1 2 296.371 -1.081 20 0 CAADLO C[C@H]1CC[N@H+](CC(=O)N2CCCC2)C[C@@H]1NC(=O)C(N)=O ZINC000968129656 657052251 /nfs/dbraw/zinc/05/22/51/657052251.db2.gz JJAFLICAHDULKK-QWRGUYRKSA-N 1 2 296.371 -1.079 20 0 CAADLO C[C@H]1CC[N@@H+](CC(=O)N2CCCC2)C[C@@H]1NC(=O)C(N)=O ZINC000968129656 657052257 /nfs/dbraw/zinc/05/22/57/657052257.db2.gz JJAFLICAHDULKK-QWRGUYRKSA-N 1 2 296.371 -1.079 20 0 CAADLO C[C@H]1CC[N@H+](CC(=O)N(C)C)C[C@@H]1NC(=O)C(N)=O ZINC000968132209 657052342 /nfs/dbraw/zinc/05/23/42/657052342.db2.gz PERSZBPUZKKRSQ-IUCAKERBSA-N 1 2 270.333 -1.614 20 0 CAADLO C[C@H]1CC[N@@H+](CC(=O)N(C)C)C[C@@H]1NC(=O)C(N)=O ZINC000968132209 657052346 /nfs/dbraw/zinc/05/23/46/657052346.db2.gz PERSZBPUZKKRSQ-IUCAKERBSA-N 1 2 270.333 -1.614 20 0 CAADLO O=C(Cn1cc[nH+]c1)N[C@@H]1CN(C(=O)C(F)F)C[C@@H]1O ZINC000968456609 657052902 /nfs/dbraw/zinc/05/29/02/657052902.db2.gz SNGADMIPFGLMNJ-SFYZADRCSA-N 1 2 288.254 -1.164 20 0 CAADLO NC(=O)C(=O)N1C[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H](O)C1 ZINC000968458227 657053341 /nfs/dbraw/zinc/05/33/41/657053341.db2.gz NNFVJGUKNFMGFT-SFYZADRCSA-N 1 2 281.272 -2.944 20 0 CAADLO C[C@@H]1CC[N@H+](CC(N)=O)C[C@H]1NC(=O)Cc1nc[nH]n1 ZINC000968520454 657053946 /nfs/dbraw/zinc/05/39/46/657053946.db2.gz IWXATTCFIBAUMH-RKDXNWHRSA-N 1 2 280.332 -1.341 20 0 CAADLO C[C@@H]1CC[N@@H+](CC(N)=O)C[C@H]1NC(=O)Cc1nc[nH]n1 ZINC000968520454 657053947 /nfs/dbraw/zinc/05/39/47/657053947.db2.gz IWXATTCFIBAUMH-RKDXNWHRSA-N 1 2 280.332 -1.341 20 0 CAADLO C[C@H]1CC[N@H+](CC(N)=O)C[C@H]1NC(=O)Cc1nc[nH]n1 ZINC000968520452 657054764 /nfs/dbraw/zinc/05/47/64/657054764.db2.gz IWXATTCFIBAUMH-DTWKUNHWSA-N 1 2 280.332 -1.341 20 0 CAADLO C[C@H]1CC[N@@H+](CC(N)=O)C[C@H]1NC(=O)Cc1nc[nH]n1 ZINC000968520452 657054765 /nfs/dbraw/zinc/05/47/65/657054765.db2.gz IWXATTCFIBAUMH-DTWKUNHWSA-N 1 2 280.332 -1.341 20 0 CAADLO C[C@@H]1CC[N@H+](CC(N)=O)C[C@@H]1NC(=O)Cn1cncn1 ZINC000968614876 657055922 /nfs/dbraw/zinc/05/59/22/657055922.db2.gz OQBRCMSGQDHVMR-ZJUUUORDSA-N 1 2 280.332 -1.410 20 0 CAADLO C[C@@H]1CC[N@@H+](CC(N)=O)C[C@@H]1NC(=O)Cn1cncn1 ZINC000968614876 657055925 /nfs/dbraw/zinc/05/59/25/657055925.db2.gz OQBRCMSGQDHVMR-ZJUUUORDSA-N 1 2 280.332 -1.410 20 0 CAADLO Cc1nnc(C[NH2+][C@@H]2CCN(C(=O)Cn3ncnn3)C2)o1 ZINC000968683254 657056014 /nfs/dbraw/zinc/05/60/14/657056014.db2.gz BPMSJZCICRUPBD-SECBINFHSA-N 1 2 292.303 -1.245 20 0 CAADLO CC(=O)N1CC(C(=O)N[C@@H]2CCC[N@@H+]([C@@H](C)C(N)=O)C2)C1 ZINC001007223263 657057039 /nfs/dbraw/zinc/05/70/39/657057039.db2.gz USWFSSLTPVEKPY-JOYOIKCWSA-N 1 2 296.371 -1.081 20 0 CAADLO CC(=O)N1CC(C(=O)N[C@@H]2CCC[N@H+]([C@@H](C)C(N)=O)C2)C1 ZINC001007223263 657057041 /nfs/dbraw/zinc/05/70/41/657057041.db2.gz USWFSSLTPVEKPY-JOYOIKCWSA-N 1 2 296.371 -1.081 20 0 CAADLO CNC(=O)CN1CCC[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001007005397 657061377 /nfs/dbraw/zinc/06/13/77/657061377.db2.gz XHARHUVQKHRQAB-NWDGAFQWSA-N 1 2 298.387 -1.356 20 0 CAADLO CNC(=O)CN1CCC[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001007005397 657061383 /nfs/dbraw/zinc/06/13/83/657061383.db2.gz XHARHUVQKHRQAB-NWDGAFQWSA-N 1 2 298.387 -1.356 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@@H](NC(=O)CN2CCCC2=O)C1 ZINC001006704107 657061952 /nfs/dbraw/zinc/06/19/52/657061952.db2.gz JLDVOJNIHHKGNP-SNVBAGLBSA-N 1 2 282.344 -1.325 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@@H](NC(=O)CN2CCCC2=O)C1 ZINC001006704107 657061953 /nfs/dbraw/zinc/06/19/53/657061953.db2.gz JLDVOJNIHHKGNP-SNVBAGLBSA-N 1 2 282.344 -1.325 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@H](NC(=O)CN2CCOCC2)C1 ZINC001007115966 657061975 /nfs/dbraw/zinc/06/19/75/657061975.db2.gz HCGIYSVHCORJNA-NSHDSACASA-N 1 2 284.360 -1.616 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@H](NC(=O)CN2CCOCC2)C1 ZINC001007115966 657061979 /nfs/dbraw/zinc/06/19/79/657061979.db2.gz HCGIYSVHCORJNA-NSHDSACASA-N 1 2 284.360 -1.616 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCNC(=O)C2)C1 ZINC001007108533 657062013 /nfs/dbraw/zinc/06/20/13/657062013.db2.gz WMJVNVJYKZEKRM-UWVGGRQHSA-N 1 2 282.344 -1.422 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@H](NC(=O)[C@H]2CCNC(=O)C2)C1 ZINC001007108533 657062018 /nfs/dbraw/zinc/06/20/18/657062018.db2.gz WMJVNVJYKZEKRM-UWVGGRQHSA-N 1 2 282.344 -1.422 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCNC(=O)C2)C1 ZINC001007108539 657062041 /nfs/dbraw/zinc/06/20/41/657062041.db2.gz WMJVNVJYKZEKRM-ZJUUUORDSA-N 1 2 282.344 -1.422 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCNC(=O)C2)C1 ZINC001007108539 657062044 /nfs/dbraw/zinc/06/20/44/657062044.db2.gz WMJVNVJYKZEKRM-ZJUUUORDSA-N 1 2 282.344 -1.422 20 0 CAADLO Cn1cnc(C(=O)N[C@H]2CCC[N@@H+]([C@H]3CCNC3=O)C2)n1 ZINC001007272718 657062520 /nfs/dbraw/zinc/06/25/20/657062520.db2.gz LHXYQUJHHACMLQ-UWVGGRQHSA-N 1 2 292.343 -1.102 20 0 CAADLO Cn1cnc(C(=O)N[C@H]2CCC[N@H+]([C@H]3CCNC3=O)C2)n1 ZINC001007272718 657062523 /nfs/dbraw/zinc/06/25/23/657062523.db2.gz LHXYQUJHHACMLQ-UWVGGRQHSA-N 1 2 292.343 -1.102 20 0 CAADLO CNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)Cc2nnc(C)[nH]2)C1 ZINC001007306688 657062896 /nfs/dbraw/zinc/06/28/96/657062896.db2.gz GLVPSXQHUYLQGS-SNVBAGLBSA-N 1 2 294.359 -1.018 20 0 CAADLO CNC(=O)C[N@H+]1CCC[C@@H](NC(=O)Cc2nnc(C)[nH]2)C1 ZINC001007306688 657062904 /nfs/dbraw/zinc/06/29/04/657062904.db2.gz GLVPSXQHUYLQGS-SNVBAGLBSA-N 1 2 294.359 -1.018 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CCC[C@@H](NC(=O)c2cn(C)nn2)C1 ZINC001007265299 657062949 /nfs/dbraw/zinc/06/29/49/657062949.db2.gz AQSSHTIJJRWPEP-RKDXNWHRSA-N 1 2 280.332 -1.117 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CCC[C@@H](NC(=O)c2cn(C)nn2)C1 ZINC001007265299 657062951 /nfs/dbraw/zinc/06/29/51/657062951.db2.gz AQSSHTIJJRWPEP-RKDXNWHRSA-N 1 2 280.332 -1.117 20 0 CAADLO Cn1cnc(C(=O)N[C@@H]2CCC[N@@H+]([C@@H]3CCNC3=O)C2)n1 ZINC001007272716 657063006 /nfs/dbraw/zinc/06/30/06/657063006.db2.gz LHXYQUJHHACMLQ-NXEZZACHSA-N 1 2 292.343 -1.102 20 0 CAADLO Cn1cnc(C(=O)N[C@@H]2CCC[N@H+]([C@@H]3CCNC3=O)C2)n1 ZINC001007272716 657063013 /nfs/dbraw/zinc/06/30/13/657063013.db2.gz LHXYQUJHHACMLQ-NXEZZACHSA-N 1 2 292.343 -1.102 20 0 CAADLO Cn1nncc1C(=O)N[C@@H]1CCC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001007240832 657063180 /nfs/dbraw/zinc/06/31/80/657063180.db2.gz CZIGZDMCDACGRF-ZJUUUORDSA-N 1 2 292.343 -1.102 20 0 CAADLO Cn1nncc1C(=O)N[C@@H]1CCC[N@H+]([C@H]2CCNC2=O)C1 ZINC001007240832 657063182 /nfs/dbraw/zinc/06/31/82/657063182.db2.gz CZIGZDMCDACGRF-ZJUUUORDSA-N 1 2 292.343 -1.102 20 0 CAADLO CNC(=O)C[N@@H+]1CCC[C@H](NC(=O)Cc2nnc(C)[nH]2)C1 ZINC001007306683 657063335 /nfs/dbraw/zinc/06/33/35/657063335.db2.gz GLVPSXQHUYLQGS-JTQLQIEISA-N 1 2 294.359 -1.018 20 0 CAADLO CNC(=O)C[N@H+]1CCC[C@H](NC(=O)Cc2nnc(C)[nH]2)C1 ZINC001007306683 657063341 /nfs/dbraw/zinc/06/33/41/657063341.db2.gz GLVPSXQHUYLQGS-JTQLQIEISA-N 1 2 294.359 -1.018 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CCC[C@@H](NC(=O)Cn2ncnn2)C1 ZINC001007344303 657063392 /nfs/dbraw/zinc/06/33/92/657063392.db2.gz OQFYJICVXRAMEO-DTWKUNHWSA-N 1 2 281.320 -1.873 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CCC[C@@H](NC(=O)Cn2ncnn2)C1 ZINC001007344303 657063394 /nfs/dbraw/zinc/06/33/94/657063394.db2.gz OQFYJICVXRAMEO-DTWKUNHWSA-N 1 2 281.320 -1.873 20 0 CAADLO CNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2COC(=O)N2)C1 ZINC001007256983 657063407 /nfs/dbraw/zinc/06/34/07/657063407.db2.gz FLPGZANGNNTLRS-BDAKNGLRSA-N 1 2 284.316 -1.579 20 0 CAADLO CNC(=O)C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2COC(=O)N2)C1 ZINC001007256983 657063411 /nfs/dbraw/zinc/06/34/11/657063411.db2.gz FLPGZANGNNTLRS-BDAKNGLRSA-N 1 2 284.316 -1.579 20 0 CAADLO C[C@H](C(=O)N[C@H]1CCC[N@H+](CC(N)=O)C1)n1cncn1 ZINC001007165380 657063462 /nfs/dbraw/zinc/06/34/62/657063462.db2.gz RAEYHLGNNSIGBO-ZJUUUORDSA-N 1 2 280.332 -1.095 20 0 CAADLO C[C@H](C(=O)N[C@H]1CCC[N@@H+](CC(N)=O)C1)n1cncn1 ZINC001007165380 657063467 /nfs/dbraw/zinc/06/34/67/657063467.db2.gz RAEYHLGNNSIGBO-ZJUUUORDSA-N 1 2 280.332 -1.095 20 0 CAADLO CNC(=O)C[N@@H+]1CCC[C@H](NC(=O)Cn2ncnn2)C1 ZINC001007341338 657063584 /nfs/dbraw/zinc/06/35/84/657063584.db2.gz ZNOAQQPJFQESDS-VIFPVBQESA-N 1 2 281.320 -2.000 20 0 CAADLO CNC(=O)C[N@H+]1CCC[C@H](NC(=O)Cn2ncnn2)C1 ZINC001007341338 657063589 /nfs/dbraw/zinc/06/35/89/657063589.db2.gz ZNOAQQPJFQESDS-VIFPVBQESA-N 1 2 281.320 -2.000 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@@H](NC(=O)C[C@H]2CCC(=O)NC2)C1 ZINC001007495509 657063751 /nfs/dbraw/zinc/06/37/51/657063751.db2.gz KMSIOHJBKNMDSI-GHMZBOCLSA-N 1 2 296.371 -1.031 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@@H](NC(=O)C[C@H]2CCC(=O)NC2)C1 ZINC001007495509 657063757 /nfs/dbraw/zinc/06/37/57/657063757.db2.gz KMSIOHJBKNMDSI-GHMZBOCLSA-N 1 2 296.371 -1.031 20 0 CAADLO C[C@H]1CC(=O)N[C@@H](C(=O)N[C@@H]2CCC[N@H+](CC(N)=O)C2)C1 ZINC001007356014 657064370 /nfs/dbraw/zinc/06/43/70/657064370.db2.gz CEYNCRDIMAHAJF-GMTAPVOTSA-N 1 2 296.371 -1.033 20 0 CAADLO C[C@H]1CC(=O)N[C@@H](C(=O)N[C@@H]2CCC[N@@H+](CC(N)=O)C2)C1 ZINC001007356014 657064373 /nfs/dbraw/zinc/06/43/73/657064373.db2.gz CEYNCRDIMAHAJF-GMTAPVOTSA-N 1 2 296.371 -1.033 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@H](NC(=O)Cn2nccn2)C1 ZINC001007422548 657064448 /nfs/dbraw/zinc/06/44/48/657064448.db2.gz FMCKIYKLIPBZAG-VIFPVBQESA-N 1 2 266.305 -1.656 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@H](NC(=O)Cn2nccn2)C1 ZINC001007422548 657064452 /nfs/dbraw/zinc/06/44/52/657064452.db2.gz FMCKIYKLIPBZAG-VIFPVBQESA-N 1 2 266.305 -1.656 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@H](NC(=O)C[C@H]2CCC(=O)NC2)C1 ZINC001007495511 657064539 /nfs/dbraw/zinc/06/45/39/657064539.db2.gz KMSIOHJBKNMDSI-MNOVXSKESA-N 1 2 296.371 -1.031 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@H](NC(=O)C[C@H]2CCC(=O)NC2)C1 ZINC001007495511 657064542 /nfs/dbraw/zinc/06/45/42/657064542.db2.gz KMSIOHJBKNMDSI-MNOVXSKESA-N 1 2 296.371 -1.031 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@H](NC(=O)C[C@H]2CCNC2=O)C1 ZINC001007489569 657064564 /nfs/dbraw/zinc/06/45/64/657064564.db2.gz TUKGOZXXWSCDRM-ZJUUUORDSA-N 1 2 282.344 -1.422 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@H](NC(=O)C[C@H]2CCNC2=O)C1 ZINC001007489569 657064566 /nfs/dbraw/zinc/06/45/66/657064566.db2.gz TUKGOZXXWSCDRM-ZJUUUORDSA-N 1 2 282.344 -1.422 20 0 CAADLO CNC(=O)C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CC(=O)N(C)C2)C1 ZINC001007453043 657064850 /nfs/dbraw/zinc/06/48/50/657064850.db2.gz OXYIWYKJCMECRR-MNOVXSKESA-N 1 2 296.371 -1.209 20 0 CAADLO CNC(=O)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2CC(=O)N(C)C2)C1 ZINC001007453043 657064854 /nfs/dbraw/zinc/06/48/54/657064854.db2.gz OXYIWYKJCMECRR-MNOVXSKESA-N 1 2 296.371 -1.209 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@@H](NC(=O)CN2CCOCC2=O)C1 ZINC001007504464 657065529 /nfs/dbraw/zinc/06/55/29/657065529.db2.gz JRBXJOCJLQYTLH-SNVBAGLBSA-N 1 2 298.343 -2.089 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@@H](NC(=O)CN2CCOCC2=O)C1 ZINC001007504464 657065534 /nfs/dbraw/zinc/06/55/34/657065534.db2.gz JRBXJOCJLQYTLH-SNVBAGLBSA-N 1 2 298.343 -2.089 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@H](NC(=O)CN2CCOCC2=O)C1 ZINC001007504459 657065850 /nfs/dbraw/zinc/06/58/50/657065850.db2.gz JRBXJOCJLQYTLH-JTQLQIEISA-N 1 2 298.343 -2.089 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@H](NC(=O)CN2CCOCC2=O)C1 ZINC001007504459 657065856 /nfs/dbraw/zinc/06/58/56/657065856.db2.gz JRBXJOCJLQYTLH-JTQLQIEISA-N 1 2 298.343 -2.089 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@@H](NC(=O)c2cnc[nH]c2=O)C1 ZINC001007577287 657066084 /nfs/dbraw/zinc/06/60/84/657066084.db2.gz RFBSESWUILTRMA-MRVPVSSYSA-N 1 2 279.300 -1.138 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@@H](NC(=O)c2cnc[nH]c2=O)C1 ZINC001007577287 657066090 /nfs/dbraw/zinc/06/60/90/657066090.db2.gz RFBSESWUILTRMA-MRVPVSSYSA-N 1 2 279.300 -1.138 20 0 CAADLO O=C(CC1CS(=O)(=O)C1)N[C@@H]1CCC[N@@H+](CCO)C1 ZINC001007698419 657066696 /nfs/dbraw/zinc/06/66/96/657066696.db2.gz HWIDCBCCKBGNHA-LLVKDONJSA-N 1 2 290.385 -1.006 20 0 CAADLO O=C(CC1CS(=O)(=O)C1)N[C@@H]1CCC[N@H+](CCO)C1 ZINC001007698419 657066701 /nfs/dbraw/zinc/06/67/01/657066701.db2.gz HWIDCBCCKBGNHA-LLVKDONJSA-N 1 2 290.385 -1.006 20 0 CAADLO Cn1cnn(CC(=O)N[C@@H]2CCC[N@H+](CC(N)=O)C2)c1=O ZINC001007706222 657066710 /nfs/dbraw/zinc/06/67/10/657066710.db2.gz PVBXOFAXCBXLHM-SECBINFHSA-N 1 2 296.331 -2.352 20 0 CAADLO Cn1cnn(CC(=O)N[C@@H]2CCC[N@@H+](CC(N)=O)C2)c1=O ZINC001007706222 657066715 /nfs/dbraw/zinc/06/67/15/657066715.db2.gz PVBXOFAXCBXLHM-SECBINFHSA-N 1 2 296.331 -2.352 20 0 CAADLO CCN1CCOC[C@H]1C(=O)N[C@@H]1CCC[N@H+](CC(N)=O)C1 ZINC001007704810 657066897 /nfs/dbraw/zinc/06/68/97/657066897.db2.gz KGCSSCAQGXVQNB-NEPJUHHUSA-N 1 2 298.387 -1.227 20 0 CAADLO CCN1CCOC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001007704810 657066905 /nfs/dbraw/zinc/06/69/05/657066905.db2.gz KGCSSCAQGXVQNB-NEPJUHHUSA-N 1 2 298.387 -1.227 20 0 CAADLO CNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC(=O)NC2)C1 ZINC001007734952 657067082 /nfs/dbraw/zinc/06/70/82/657067082.db2.gz AHDLGPRQZQWBIG-GHMZBOCLSA-N 1 2 296.371 -1.161 20 0 CAADLO CNC(=O)C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC(=O)NC2)C1 ZINC001007734952 657067084 /nfs/dbraw/zinc/06/70/84/657067084.db2.gz AHDLGPRQZQWBIG-GHMZBOCLSA-N 1 2 296.371 -1.161 20 0 CAADLO CNC(=O)C[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCC(=O)NC2)C1 ZINC001007734958 657067102 /nfs/dbraw/zinc/06/71/02/657067102.db2.gz AHDLGPRQZQWBIG-QWRGUYRKSA-N 1 2 296.371 -1.161 20 0 CAADLO CNC(=O)C[N@H+]1CCC[C@H](NC(=O)[C@H]2CCC(=O)NC2)C1 ZINC001007734958 657067108 /nfs/dbraw/zinc/06/71/08/657067108.db2.gz AHDLGPRQZQWBIG-QWRGUYRKSA-N 1 2 296.371 -1.161 20 0 CAADLO CCN1CCOC[C@H]1C(=O)N[C@H]1CCC[N@H+](CC(N)=O)C1 ZINC001007704815 657067362 /nfs/dbraw/zinc/06/73/62/657067362.db2.gz KGCSSCAQGXVQNB-RYUDHWBXSA-N 1 2 298.387 -1.227 20 0 CAADLO CCN1CCOC[C@H]1C(=O)N[C@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001007704815 657067368 /nfs/dbraw/zinc/06/73/68/657067368.db2.gz KGCSSCAQGXVQNB-RYUDHWBXSA-N 1 2 298.387 -1.227 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC(=O)NC2)C1 ZINC001007737122 657067755 /nfs/dbraw/zinc/06/77/55/657067755.db2.gz JJCLQRPGTDUDDL-NXEZZACHSA-N 1 2 282.344 -1.422 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC(=O)NC2)C1 ZINC001007737122 657067762 /nfs/dbraw/zinc/06/77/62/657067762.db2.gz JJCLQRPGTDUDDL-NXEZZACHSA-N 1 2 282.344 -1.422 20 0 CAADLO Cn1cnn(CC(=O)N[C@H]2CCC[N@H+](CC(N)=O)C2)c1=O ZINC001007706223 657067847 /nfs/dbraw/zinc/06/78/47/657067847.db2.gz PVBXOFAXCBXLHM-VIFPVBQESA-N 1 2 296.331 -2.352 20 0 CAADLO Cn1cnn(CC(=O)N[C@H]2CCC[N@@H+](CC(N)=O)C2)c1=O ZINC001007706223 657067853 /nfs/dbraw/zinc/06/78/53/657067853.db2.gz PVBXOFAXCBXLHM-VIFPVBQESA-N 1 2 296.331 -2.352 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCNC(=O)CC2)C1 ZINC001008079048 657068157 /nfs/dbraw/zinc/06/81/57/657068157.db2.gz UVIHEBNLDROISC-MNOVXSKESA-N 1 2 296.371 -1.031 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@H](NC(=O)[C@H]2CCNC(=O)CC2)C1 ZINC001008079048 657068162 /nfs/dbraw/zinc/06/81/62/657068162.db2.gz UVIHEBNLDROISC-MNOVXSKESA-N 1 2 296.371 -1.031 20 0 CAADLO CNC(=O)C[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCNC2=O)C1 ZINC001008173546 657068170 /nfs/dbraw/zinc/06/81/70/657068170.db2.gz BBMSTNLENHPEQO-UWVGGRQHSA-N 1 2 282.344 -1.551 20 0 CAADLO CNC(=O)C[N@H+]1CCC[C@H](NC(=O)[C@H]2CCNC2=O)C1 ZINC001008173546 657068176 /nfs/dbraw/zinc/06/81/76/657068176.db2.gz BBMSTNLENHPEQO-UWVGGRQHSA-N 1 2 282.344 -1.551 20 0 CAADLO Cn1cc(C(=O)N[C@H]2CCC[N@H+](CC(N)=O)C2)ncc1=O ZINC001007983920 657068566 /nfs/dbraw/zinc/06/85/66/657068566.db2.gz OFURFJKXDIBQKW-VIFPVBQESA-N 1 2 293.327 -1.540 20 0 CAADLO Cn1cc(C(=O)N[C@H]2CCC[N@@H+](CC(N)=O)C2)ncc1=O ZINC001007983920 657068570 /nfs/dbraw/zinc/06/85/70/657068570.db2.gz OFURFJKXDIBQKW-VIFPVBQESA-N 1 2 293.327 -1.540 20 0 CAADLO CNC(=O)C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCN(C)C2=O)C1 ZINC001008252673 657069439 /nfs/dbraw/zinc/06/94/39/657069439.db2.gz ZEPPQBQERYYZPK-QWRGUYRKSA-N 1 2 296.371 -1.209 20 0 CAADLO CNC(=O)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCN(C)C2=O)C1 ZINC001008252673 657069441 /nfs/dbraw/zinc/06/94/41/657069441.db2.gz ZEPPQBQERYYZPK-QWRGUYRKSA-N 1 2 296.371 -1.209 20 0 CAADLO Cn1c(C(=O)N[C@@H]2CCC[N@H+](CC(N)=O)C2)c[nH]c1=O ZINC001008186760 657069502 /nfs/dbraw/zinc/06/95/02/657069502.db2.gz BUQZUZSWIKCYMW-MRVPVSSYSA-N 1 2 281.316 -1.195 20 0 CAADLO Cn1c(C(=O)N[C@@H]2CCC[N@@H+](CC(N)=O)C2)c[nH]c1=O ZINC001008186760 657069507 /nfs/dbraw/zinc/06/95/07/657069507.db2.gz BUQZUZSWIKCYMW-MRVPVSSYSA-N 1 2 281.316 -1.195 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CCC[C@H](NC(=O)c2nnn(C)n2)C1 ZINC001008213657 657069563 /nfs/dbraw/zinc/06/95/63/657069563.db2.gz MHAAZNRXVFLCGO-SFYZADRCSA-N 1 2 281.320 -1.722 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CCC[C@H](NC(=O)c2nnn(C)n2)C1 ZINC001008213657 657069571 /nfs/dbraw/zinc/06/95/71/657069571.db2.gz MHAAZNRXVFLCGO-SFYZADRCSA-N 1 2 281.320 -1.722 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001008231536 657069617 /nfs/dbraw/zinc/06/96/17/657069617.db2.gz IEDCVLYHDJJYOY-UXCLJVHYSA-N 1 2 267.329 -1.055 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001008231536 657069623 /nfs/dbraw/zinc/06/96/23/657069623.db2.gz IEDCVLYHDJJYOY-UXCLJVHYSA-N 1 2 267.329 -1.055 20 0 CAADLO C[C@@]1(C(=O)N[C@@H]2CCC[N@H+](CC(N)=O)C2)CCC(=O)NC1 ZINC001008271465 657069682 /nfs/dbraw/zinc/06/96/82/657069682.db2.gz WARGBTGMXHKIOA-QMTHXVAHSA-N 1 2 296.371 -1.031 20 0 CAADLO C[C@@]1(C(=O)N[C@@H]2CCC[N@@H+](CC(N)=O)C2)CCC(=O)NC1 ZINC001008271465 657069688 /nfs/dbraw/zinc/06/96/88/657069688.db2.gz WARGBTGMXHKIOA-QMTHXVAHSA-N 1 2 296.371 -1.031 20 0 CAADLO Cn1c(C(=O)N[C@H]2CCC[N@H+](CC(N)=O)C2)c[nH]c1=O ZINC001008186769 657069809 /nfs/dbraw/zinc/06/98/09/657069809.db2.gz BUQZUZSWIKCYMW-QMMMGPOBSA-N 1 2 281.316 -1.195 20 0 CAADLO Cn1c(C(=O)N[C@H]2CCC[N@@H+](CC(N)=O)C2)c[nH]c1=O ZINC001008186769 657069810 /nfs/dbraw/zinc/06/98/10/657069810.db2.gz BUQZUZSWIKCYMW-QMMMGPOBSA-N 1 2 281.316 -1.195 20 0 CAADLO CNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC001008176334 657069933 /nfs/dbraw/zinc/06/99/33/657069933.db2.gz LXLNQJRMFZOLOI-NXEZZACHSA-N 1 2 297.359 -1.663 20 0 CAADLO CNC(=O)C[N@H+]1CCC[C@@H](NC(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC001008176334 657069936 /nfs/dbraw/zinc/06/99/36/657069936.db2.gz LXLNQJRMFZOLOI-NXEZZACHSA-N 1 2 297.359 -1.663 20 0 CAADLO CC[C@@H](C(N)=O)[N@@H+]1CCC[C@@H](NC(=O)c2nnn(C)n2)C1 ZINC001008231998 657070032 /nfs/dbraw/zinc/07/00/32/657070032.db2.gz QRGRUVNNRIWJDR-BDAKNGLRSA-N 1 2 295.347 -1.332 20 0 CAADLO CC[C@@H](C(N)=O)[N@H+]1CCC[C@@H](NC(=O)c2nnn(C)n2)C1 ZINC001008231998 657070040 /nfs/dbraw/zinc/07/00/40/657070040.db2.gz QRGRUVNNRIWJDR-BDAKNGLRSA-N 1 2 295.347 -1.332 20 0 CAADLO CNC(=O)C[N@@H+]1CCC[C@H](NC(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC001008176339 657070061 /nfs/dbraw/zinc/07/00/61/657070061.db2.gz LXLNQJRMFZOLOI-VHSXEESVSA-N 1 2 297.359 -1.663 20 0 CAADLO CNC(=O)C[N@H+]1CCC[C@H](NC(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC001008176339 657070068 /nfs/dbraw/zinc/07/00/68/657070068.db2.gz LXLNQJRMFZOLOI-VHSXEESVSA-N 1 2 297.359 -1.663 20 0 CAADLO CN1C[C@H](C(=O)N[C@H]2CCC[N@H+](CC(N)=O)C2)NC1=O ZINC001008186793 657070292 /nfs/dbraw/zinc/07/02/92/657070292.db2.gz BVACTXZHMPEQCW-DTWKUNHWSA-N 1 2 283.332 -1.924 20 0 CAADLO CN1C[C@H](C(=O)N[C@H]2CCC[N@@H+](CC(N)=O)C2)NC1=O ZINC001008186793 657070300 /nfs/dbraw/zinc/07/03/00/657070300.db2.gz BVACTXZHMPEQCW-DTWKUNHWSA-N 1 2 283.332 -1.924 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@H](NC(=O)CN2CCNC(=O)C2)C1 ZINC001008180662 657070403 /nfs/dbraw/zinc/07/04/03/657070403.db2.gz BOHVZCLKMLRWKM-JTQLQIEISA-N 1 2 297.359 -2.516 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@H](NC(=O)CN2CCNC(=O)C2)C1 ZINC001008180662 657070406 /nfs/dbraw/zinc/07/04/06/657070406.db2.gz BOHVZCLKMLRWKM-JTQLQIEISA-N 1 2 297.359 -2.516 20 0 CAADLO CN1C[C@H](C(=O)N[C@@H]2CCC[N@H+](CC(N)=O)C2)NC1=O ZINC001008186807 657070416 /nfs/dbraw/zinc/07/04/16/657070416.db2.gz BVACTXZHMPEQCW-RKDXNWHRSA-N 1 2 283.332 -1.924 20 0 CAADLO CN1C[C@H](C(=O)N[C@@H]2CCC[N@@H+](CC(N)=O)C2)NC1=O ZINC001008186807 657070420 /nfs/dbraw/zinc/07/04/20/657070420.db2.gz BVACTXZHMPEQCW-RKDXNWHRSA-N 1 2 283.332 -1.924 20 0 CAADLO CNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCN(C)C2=O)C1 ZINC001008252666 657070432 /nfs/dbraw/zinc/07/04/32/657070432.db2.gz ZEPPQBQERYYZPK-GHMZBOCLSA-N 1 2 296.371 -1.209 20 0 CAADLO CNC(=O)C[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCN(C)C2=O)C1 ZINC001008252666 657070436 /nfs/dbraw/zinc/07/04/36/657070436.db2.gz ZEPPQBQERYYZPK-GHMZBOCLSA-N 1 2 296.371 -1.209 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CCC[C@@H](NC(=O)c2c[nH]c(=O)cn2)C1 ZINC001008332533 657070554 /nfs/dbraw/zinc/07/05/54/657070554.db2.gz KNCOMIVMQDIFFP-DTWKUNHWSA-N 1 2 293.327 -1.162 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CCC[C@@H](NC(=O)c2c[nH]c(=O)cn2)C1 ZINC001008332533 657070558 /nfs/dbraw/zinc/07/05/58/657070558.db2.gz KNCOMIVMQDIFFP-DTWKUNHWSA-N 1 2 293.327 -1.162 20 0 CAADLO CN1C(=O)CC[C@@H]1C(=O)N[C@H]1CCC[N@H+](CC(N)=O)C1 ZINC001008275386 657070615 /nfs/dbraw/zinc/07/06/15/657070615.db2.gz KRJXZMNJSHHSCS-VHSXEESVSA-N 1 2 282.344 -1.327 20 0 CAADLO CN1C(=O)CC[C@@H]1C(=O)N[C@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001008275386 657070621 /nfs/dbraw/zinc/07/06/21/657070621.db2.gz KRJXZMNJSHHSCS-VHSXEESVSA-N 1 2 282.344 -1.327 20 0 CAADLO CN1C(=O)CC[C@H]1C(=O)N[C@H]1CCC[N@H+](CC(N)=O)C1 ZINC001008203324 657070633 /nfs/dbraw/zinc/07/06/33/657070633.db2.gz KRJXZMNJSHHSCS-UWVGGRQHSA-N 1 2 282.344 -1.327 20 0 CAADLO CN1C(=O)CC[C@H]1C(=O)N[C@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001008203324 657070638 /nfs/dbraw/zinc/07/06/38/657070638.db2.gz KRJXZMNJSHHSCS-UWVGGRQHSA-N 1 2 282.344 -1.327 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](NC(=O)C(N)=O)C1 ZINC001008369504 657071089 /nfs/dbraw/zinc/07/10/89/657071089.db2.gz GACCPGZQCFYAJR-HTQZYQBOSA-N 1 2 256.306 -1.813 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](NC(=O)C(N)=O)C1 ZINC001008369504 657071094 /nfs/dbraw/zinc/07/10/94/657071094.db2.gz GACCPGZQCFYAJR-HTQZYQBOSA-N 1 2 256.306 -1.813 20 0 CAADLO Cn1nccc1C[N@@H+]1CCC[C@H](NC(=O)C(N)=O)C1 ZINC001008367825 657071200 /nfs/dbraw/zinc/07/12/00/657071200.db2.gz XJIAEHYSJQMMCH-VIFPVBQESA-N 1 2 265.317 -1.014 20 0 CAADLO Cn1nccc1C[N@H+]1CCC[C@H](NC(=O)C(N)=O)C1 ZINC001008367825 657071204 /nfs/dbraw/zinc/07/12/04/657071204.db2.gz XJIAEHYSJQMMCH-VIFPVBQESA-N 1 2 265.317 -1.014 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@@H](NC(=O)c2c[nH]c(=O)cn2)C1 ZINC001008335054 657071741 /nfs/dbraw/zinc/07/17/41/657071741.db2.gz SNWRCFOJVFKSLK-MRVPVSSYSA-N 1 2 279.300 -1.551 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@@H](NC(=O)c2c[nH]c(=O)cn2)C1 ZINC001008335054 657071747 /nfs/dbraw/zinc/07/17/47/657071747.db2.gz SNWRCFOJVFKSLK-MRVPVSSYSA-N 1 2 279.300 -1.551 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@H](NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001008362456 657071927 /nfs/dbraw/zinc/07/19/27/657071927.db2.gz ABGYDQRREKDBPV-JGVFFNPUSA-N 1 2 269.305 -2.266 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@H](NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001008362456 657071934 /nfs/dbraw/zinc/07/19/34/657071934.db2.gz ABGYDQRREKDBPV-JGVFFNPUSA-N 1 2 269.305 -2.266 20 0 CAADLO NC(=O)C(=O)N[C@H]1CCC[N@@H+]([C@@H]2CCCNC2=O)C1 ZINC001008369611 657072123 /nfs/dbraw/zinc/07/21/23/657072123.db2.gz HCUXEMDWYHCWKV-DTWKUNHWSA-N 1 2 268.317 -1.669 20 0 CAADLO NC(=O)C(=O)N[C@H]1CCC[N@H+]([C@@H]2CCCNC2=O)C1 ZINC001008369611 657072128 /nfs/dbraw/zinc/07/21/28/657072128.db2.gz HCUXEMDWYHCWKV-DTWKUNHWSA-N 1 2 268.317 -1.669 20 0 CAADLO NC(=O)C(=O)N[C@H]1CCC[N@H+](CC(=O)N2CCOCC2)C1 ZINC001008385362 657072625 /nfs/dbraw/zinc/07/26/25/657072625.db2.gz PWKIMGFTBNJQQQ-JTQLQIEISA-N 1 2 298.343 -2.089 20 0 CAADLO NC(=O)C(=O)N[C@H]1CCC[N@@H+](CC(=O)N2CCOCC2)C1 ZINC001008385362 657072628 /nfs/dbraw/zinc/07/26/28/657072628.db2.gz PWKIMGFTBNJQQQ-JTQLQIEISA-N 1 2 298.343 -2.089 20 0 CAADLO NC(=O)C(=O)N[C@@H]1CCC[N@H+](CC(=O)N2CCOCC2)C1 ZINC001008385371 657072712 /nfs/dbraw/zinc/07/27/12/657072712.db2.gz PWKIMGFTBNJQQQ-SNVBAGLBSA-N 1 2 298.343 -2.089 20 0 CAADLO NC(=O)C(=O)N[C@@H]1CCC[N@@H+](CC(=O)N2CCOCC2)C1 ZINC001008385371 657072718 /nfs/dbraw/zinc/07/27/18/657072718.db2.gz PWKIMGFTBNJQQQ-SNVBAGLBSA-N 1 2 298.343 -2.089 20 0 CAADLO C[C@]1(C(=O)N[C@H]2CCC[N@H+](CC(N)=O)C2)CCNC1=O ZINC001008509436 657074412 /nfs/dbraw/zinc/07/44/12/657074412.db2.gz AKPVDIAALNKBGF-ZANVPECISA-N 1 2 282.344 -1.422 20 0 CAADLO C[C@]1(C(=O)N[C@H]2CCC[N@@H+](CC(N)=O)C2)CCNC1=O ZINC001008509436 657074414 /nfs/dbraw/zinc/07/44/14/657074414.db2.gz AKPVDIAALNKBGF-ZANVPECISA-N 1 2 282.344 -1.422 20 0 CAADLO CC1(C)CN(C(=O)C(N)=O)C[C@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC001008505371 657074821 /nfs/dbraw/zinc/07/48/21/657074821.db2.gz MEJYJGUEDLTYLQ-MRVPVSSYSA-N 1 2 293.327 -1.209 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001008704708 657076536 /nfs/dbraw/zinc/07/65/36/657076536.db2.gz LFZXDZDKJLMZJX-SFYZADRCSA-N 1 2 297.315 -2.350 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001008704708 657076539 /nfs/dbraw/zinc/07/65/39/657076539.db2.gz LFZXDZDKJLMZJX-SFYZADRCSA-N 1 2 297.315 -2.350 20 0 CAADLO Cn1ncc(C(=O)N[C@@H]2CCC[N@@H+]([C@H]3CCNC3=O)C2)n1 ZINC001008861388 657076881 /nfs/dbraw/zinc/07/68/81/657076881.db2.gz FMWCMCOQTZOOPJ-KOLCDFICSA-N 1 2 292.343 -1.102 20 0 CAADLO Cn1ncc(C(=O)N[C@@H]2CCC[N@H+]([C@H]3CCNC3=O)C2)n1 ZINC001008861388 657076885 /nfs/dbraw/zinc/07/68/85/657076885.db2.gz FMWCMCOQTZOOPJ-KOLCDFICSA-N 1 2 292.343 -1.102 20 0 CAADLO Cn1ncc(C(=O)N[C@H]2CCC[N@@H+]([C@@H]3CCNC3=O)C2)n1 ZINC001008861385 657077148 /nfs/dbraw/zinc/07/71/48/657077148.db2.gz FMWCMCOQTZOOPJ-GXSJLCMTSA-N 1 2 292.343 -1.102 20 0 CAADLO Cn1ncc(C(=O)N[C@H]2CCC[N@H+]([C@@H]3CCNC3=O)C2)n1 ZINC001008861385 657077151 /nfs/dbraw/zinc/07/71/51/657077151.db2.gz FMWCMCOQTZOOPJ-GXSJLCMTSA-N 1 2 292.343 -1.102 20 0 CAADLO Cn1ncc(C(=O)N[C@H]2CCC[N@@H+]([C@H]3CCNC3=O)C2)n1 ZINC001008861395 657077260 /nfs/dbraw/zinc/07/72/60/657077260.db2.gz FMWCMCOQTZOOPJ-ONGXEEELSA-N 1 2 292.343 -1.102 20 0 CAADLO Cn1ncc(C(=O)N[C@H]2CCC[N@H+]([C@H]3CCNC3=O)C2)n1 ZINC001008861395 657077266 /nfs/dbraw/zinc/07/72/66/657077266.db2.gz FMWCMCOQTZOOPJ-ONGXEEELSA-N 1 2 292.343 -1.102 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@@H](NC(=O)CN2CC(=O)NC2=O)C1 ZINC001008893941 657077913 /nfs/dbraw/zinc/07/79/13/657077913.db2.gz UVHZXFXAAAEEJU-MRVPVSSYSA-N 1 2 297.315 -2.396 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@@H](NC(=O)CN2CC(=O)NC2=O)C1 ZINC001008893941 657077919 /nfs/dbraw/zinc/07/79/19/657077919.db2.gz UVHZXFXAAAEEJU-MRVPVSSYSA-N 1 2 297.315 -2.396 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@@H](NC(=O)Cc2nc[nH]n2)C1 ZINC001009128965 657078477 /nfs/dbraw/zinc/07/84/77/657078477.db2.gz DUXCYKJWCKQYFT-MRVPVSSYSA-N 1 2 266.305 -1.587 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@@H](NC(=O)Cc2nc[nH]n2)C1 ZINC001009128965 657078481 /nfs/dbraw/zinc/07/84/81/657078481.db2.gz DUXCYKJWCKQYFT-MRVPVSSYSA-N 1 2 266.305 -1.587 20 0 CAADLO Cc1nonc1CC(=O)N[C@@H]1CCC[N@H+](CC(N)=O)C1 ZINC001009038004 657078881 /nfs/dbraw/zinc/07/88/81/657078881.db2.gz MRXHUCTXRDAXLJ-SECBINFHSA-N 1 2 281.316 -1.014 20 0 CAADLO Cc1nonc1CC(=O)N[C@@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001009038004 657078885 /nfs/dbraw/zinc/07/88/85/657078885.db2.gz MRXHUCTXRDAXLJ-SECBINFHSA-N 1 2 281.316 -1.014 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CCC[C@H](NC(=O)Cn2cncn2)C1 ZINC001009425498 657080065 /nfs/dbraw/zinc/08/00/65/657080065.db2.gz OCPLLVQZYXQKBN-UWVGGRQHSA-N 1 2 280.332 -1.268 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CCC[C@H](NC(=O)Cn2cncn2)C1 ZINC001009425498 657080072 /nfs/dbraw/zinc/08/00/72/657080072.db2.gz OCPLLVQZYXQKBN-UWVGGRQHSA-N 1 2 280.332 -1.268 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@H](NC(=O)CN2C(=O)CCC2=O)C1 ZINC001009460178 657080137 /nfs/dbraw/zinc/08/01/37/657080137.db2.gz QLZZGJMDIYTUOU-VIFPVBQESA-N 1 2 296.327 -1.799 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@H](NC(=O)CN2C(=O)CCC2=O)C1 ZINC001009460178 657080142 /nfs/dbraw/zinc/08/01/42/657080142.db2.gz QLZZGJMDIYTUOU-VIFPVBQESA-N 1 2 296.327 -1.799 20 0 CAADLO Cn1nc(C(=O)N[C@@H]2CCC[N@H+](CC(N)=O)C2)ccc1=O ZINC001009413259 657080309 /nfs/dbraw/zinc/08/03/09/657080309.db2.gz GGNBQJFOFCRPFN-SECBINFHSA-N 1 2 293.327 -1.540 20 0 CAADLO Cn1nc(C(=O)N[C@@H]2CCC[N@@H+](CC(N)=O)C2)ccc1=O ZINC001009413259 657080317 /nfs/dbraw/zinc/08/03/17/657080317.db2.gz GGNBQJFOFCRPFN-SECBINFHSA-N 1 2 293.327 -1.540 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@H](NC(=O)Cn2ccccc2=O)C1 ZINC001009472771 657080509 /nfs/dbraw/zinc/08/05/09/657080509.db2.gz WNYBIAMZIASSOC-NSHDSACASA-N 1 2 292.339 -1.086 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@H](NC(=O)Cn2ccccc2=O)C1 ZINC001009472771 657080512 /nfs/dbraw/zinc/08/05/12/657080512.db2.gz WNYBIAMZIASSOC-NSHDSACASA-N 1 2 292.339 -1.086 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CCC[C@@H](NC(=O)Cn2cncn2)C1 ZINC001009425497 657080886 /nfs/dbraw/zinc/08/08/86/657080886.db2.gz OCPLLVQZYXQKBN-NXEZZACHSA-N 1 2 280.332 -1.268 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@H](NC(=O)Cn2cncn2)C1 ZINC001009431812 657080738 /nfs/dbraw/zinc/08/07/38/657080738.db2.gz GBHOMCQEAXRAID-VIFPVBQESA-N 1 2 266.305 -1.656 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@H](NC(=O)Cn2cncn2)C1 ZINC001009431812 657080745 /nfs/dbraw/zinc/08/07/45/657080745.db2.gz GBHOMCQEAXRAID-VIFPVBQESA-N 1 2 266.305 -1.656 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CCC[C@@H](NC(=O)Cn2cncn2)C1 ZINC001009425497 657080881 /nfs/dbraw/zinc/08/08/81/657080881.db2.gz OCPLLVQZYXQKBN-NXEZZACHSA-N 1 2 280.332 -1.268 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@@H](NC(=O)CN2C(=O)CCC2=O)C1 ZINC001009460177 657080932 /nfs/dbraw/zinc/08/09/32/657080932.db2.gz QLZZGJMDIYTUOU-SECBINFHSA-N 1 2 296.327 -1.799 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@@H](NC(=O)CN2C(=O)CCC2=O)C1 ZINC001009460177 657080936 /nfs/dbraw/zinc/08/09/36/657080936.db2.gz QLZZGJMDIYTUOU-SECBINFHSA-N 1 2 296.327 -1.799 20 0 CAADLO CN1C[C@@H](C(=O)N[C@@H]2CCC[N@H+](CC(N)=O)C2)CCC1=O ZINC001009641417 657081512 /nfs/dbraw/zinc/08/15/12/657081512.db2.gz HZCJXPZVBVRPBU-WDEREUQCSA-N 1 2 296.371 -1.079 20 0 CAADLO CN1C[C@@H](C(=O)N[C@@H]2CCC[N@@H+](CC(N)=O)C2)CCC1=O ZINC001009641417 657081522 /nfs/dbraw/zinc/08/15/22/657081522.db2.gz HZCJXPZVBVRPBU-WDEREUQCSA-N 1 2 296.371 -1.079 20 0 CAADLO CN1C[C@H](C(=O)N[C@@H]2CCC[N@H+](CC(N)=O)C2)CCC1=O ZINC001009641407 657081749 /nfs/dbraw/zinc/08/17/49/657081749.db2.gz HZCJXPZVBVRPBU-GHMZBOCLSA-N 1 2 296.371 -1.079 20 0 CAADLO CN1C[C@H](C(=O)N[C@@H]2CCC[N@@H+](CC(N)=O)C2)CCC1=O ZINC001009641407 657081752 /nfs/dbraw/zinc/08/17/52/657081752.db2.gz HZCJXPZVBVRPBU-GHMZBOCLSA-N 1 2 296.371 -1.079 20 0 CAADLO CN1C[C@@H](C(=O)N[C@H]2CCC[N@H+](CC(N)=O)C2)CCC1=O ZINC001009641414 657081795 /nfs/dbraw/zinc/08/17/95/657081795.db2.gz HZCJXPZVBVRPBU-QWRGUYRKSA-N 1 2 296.371 -1.079 20 0 CAADLO CN1C[C@@H](C(=O)N[C@H]2CCC[N@@H+](CC(N)=O)C2)CCC1=O ZINC001009641414 657081798 /nfs/dbraw/zinc/08/17/98/657081798.db2.gz HZCJXPZVBVRPBU-QWRGUYRKSA-N 1 2 296.371 -1.079 20 0 CAADLO Cn1cc(C(=O)N[C@H]2CCC[N@H+](CC(N)=O)C2)n(C)c1=O ZINC001009649085 657081937 /nfs/dbraw/zinc/08/19/37/657081937.db2.gz PGBOPQKCCKPFNF-VIFPVBQESA-N 1 2 295.343 -1.597 20 0 CAADLO Cn1cc(C(=O)N[C@H]2CCC[N@@H+](CC(N)=O)C2)n(C)c1=O ZINC001009649085 657081941 /nfs/dbraw/zinc/08/19/41/657081941.db2.gz PGBOPQKCCKPFNF-VIFPVBQESA-N 1 2 295.343 -1.597 20 0 CAADLO NC(=O)Cn1cc(C(=O)N[C@@H]2CCC[N@H+](CCF)C2)nn1 ZINC001009639833 657081973 /nfs/dbraw/zinc/08/19/73/657081973.db2.gz ZVKSKPFFEDFITO-SECBINFHSA-N 1 2 298.322 -1.073 20 0 CAADLO NC(=O)Cn1cc(C(=O)N[C@@H]2CCC[N@@H+](CCF)C2)nn1 ZINC001009639833 657081978 /nfs/dbraw/zinc/08/19/78/657081978.db2.gz ZVKSKPFFEDFITO-SECBINFHSA-N 1 2 298.322 -1.073 20 0 CAADLO NC(=O)CN1CCC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001009705497 657082181 /nfs/dbraw/zinc/08/21/81/657082181.db2.gz CJYMGJRZXPIARH-SNVBAGLBSA-N 1 2 265.317 -1.051 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2ccc(=O)[nH]n2)C1 ZINC001009974324 657082617 /nfs/dbraw/zinc/08/26/17/657082617.db2.gz ULTYQCRKXTUECX-MRVPVSSYSA-N 1 2 279.300 -1.268 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ccc(=O)[nH]n2)C1 ZINC001009974324 657082610 /nfs/dbraw/zinc/08/26/10/657082610.db2.gz ULTYQCRKXTUECX-MRVPVSSYSA-N 1 2 279.300 -1.268 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@H](NC(=O)C[C@H]2CC(=O)NC2=O)C1 ZINC001009760592 657082894 /nfs/dbraw/zinc/08/28/94/657082894.db2.gz JSSYYOSMFGTEPG-IUCAKERBSA-N 1 2 296.327 -1.895 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@H](NC(=O)C[C@H]2CC(=O)NC2=O)C1 ZINC001009760592 657082899 /nfs/dbraw/zinc/08/28/99/657082899.db2.gz JSSYYOSMFGTEPG-IUCAKERBSA-N 1 2 296.327 -1.895 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cc[n+]([O-])cc2)C1 ZINC001010034792 657082922 /nfs/dbraw/zinc/08/29/22/657082922.db2.gz XJINHYQIAXCPMB-NSHDSACASA-N 1 2 278.312 -1.130 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cc[n+]([O-])cc2)C1 ZINC001010034792 657082927 /nfs/dbraw/zinc/08/29/27/657082927.db2.gz XJINHYQIAXCPMB-NSHDSACASA-N 1 2 278.312 -1.130 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)C2=COCCO2)C1 ZINC001010023955 657082987 /nfs/dbraw/zinc/08/29/87/657082987.db2.gz SVCPWDDFHKRLNF-DTWKUNHWSA-N 1 2 269.301 -1.061 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)C2=COCCO2)C1 ZINC001010023955 657082992 /nfs/dbraw/zinc/08/29/92/657082992.db2.gz SVCPWDDFHKRLNF-DTWKUNHWSA-N 1 2 269.301 -1.061 20 0 CAADLO C[C@@H](C(=O)N[C@@H]1CCC[N@H+](CC(N)=O)C1)N1CCOCC1 ZINC001009765302 657083371 /nfs/dbraw/zinc/08/33/71/657083371.db2.gz XPDDDZPFKUFWLA-NWDGAFQWSA-N 1 2 298.387 -1.227 20 0 CAADLO C[C@@H](C(=O)N[C@@H]1CCC[N@@H+](CC(N)=O)C1)N1CCOCC1 ZINC001009765302 657083376 /nfs/dbraw/zinc/08/33/76/657083376.db2.gz XPDDDZPFKUFWLA-NWDGAFQWSA-N 1 2 298.387 -1.227 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)C2=COCCO2)C1 ZINC001009990963 657083433 /nfs/dbraw/zinc/08/34/33/657083433.db2.gz AJERMOQNLSJPEL-VIFPVBQESA-N 1 2 269.301 -1.189 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)C2=COCCO2)C1 ZINC001009990963 657083438 /nfs/dbraw/zinc/08/34/38/657083438.db2.gz AJERMOQNLSJPEL-VIFPVBQESA-N 1 2 269.301 -1.189 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)C2=COCCO2)C1 ZINC001010023953 657083595 /nfs/dbraw/zinc/08/35/95/657083595.db2.gz SVCPWDDFHKRLNF-BDAKNGLRSA-N 1 2 269.301 -1.061 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)C2=COCCO2)C1 ZINC001010023953 657083607 /nfs/dbraw/zinc/08/36/07/657083607.db2.gz SVCPWDDFHKRLNF-BDAKNGLRSA-N 1 2 269.301 -1.061 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@H](NC(=O)C[C@@H]2CC(=O)NC2=O)C1 ZINC001009760590 657083675 /nfs/dbraw/zinc/08/36/75/657083675.db2.gz JSSYYOSMFGTEPG-BDAKNGLRSA-N 1 2 296.327 -1.895 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@H](NC(=O)C[C@@H]2CC(=O)NC2=O)C1 ZINC001009760590 657083682 /nfs/dbraw/zinc/08/36/82/657083682.db2.gz JSSYYOSMFGTEPG-BDAKNGLRSA-N 1 2 296.327 -1.895 20 0 CAADLO Cn1ccc(C[N@@H+]2CC[C@@H](NC(=O)Cn3cnnn3)C2)n1 ZINC001010108057 657085082 /nfs/dbraw/zinc/08/50/82/657085082.db2.gz PSTVAUUGDDXLDM-SNVBAGLBSA-N 1 2 290.331 -1.203 20 0 CAADLO Cn1ccc(C[N@H+]2CC[C@@H](NC(=O)Cn3cnnn3)C2)n1 ZINC001010108057 657085086 /nfs/dbraw/zinc/08/50/86/657085086.db2.gz PSTVAUUGDDXLDM-SNVBAGLBSA-N 1 2 290.331 -1.203 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)Cn2cccn2)C1 ZINC001010183415 657086184 /nfs/dbraw/zinc/08/61/84/657086184.db2.gz CVRMSPNTZFIEJS-JTQLQIEISA-N 1 2 265.317 -1.180 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)Cn2cccn2)C1 ZINC001010183415 657086189 /nfs/dbraw/zinc/08/61/89/657086189.db2.gz CVRMSPNTZFIEJS-JTQLQIEISA-N 1 2 265.317 -1.180 20 0 CAADLO CC(C)C(=O)N[C@H]1CC[N@H+](CC(=O)N2CCNC(=O)C2)C1 ZINC001010224498 657086382 /nfs/dbraw/zinc/08/63/82/657086382.db2.gz IHYFOVFMYDVKMD-NSHDSACASA-N 1 2 296.371 -1.209 20 0 CAADLO CC(C)C(=O)N[C@H]1CC[N@@H+](CC(=O)N2CCNC(=O)C2)C1 ZINC001010224498 657086390 /nfs/dbraw/zinc/08/63/90/657086390.db2.gz IHYFOVFMYDVKMD-NSHDSACASA-N 1 2 296.371 -1.209 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2COCCO2)C1 ZINC001010249157 657086407 /nfs/dbraw/zinc/08/64/07/657086407.db2.gz BTSIFYGUQHTVQE-ZJUUUORDSA-N 1 2 271.317 -1.662 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2COCCO2)C1 ZINC001010249157 657086413 /nfs/dbraw/zinc/08/64/13/657086413.db2.gz BTSIFYGUQHTVQE-ZJUUUORDSA-N 1 2 271.317 -1.662 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cn2cccn2)C1 ZINC001010183416 657086480 /nfs/dbraw/zinc/08/64/80/657086480.db2.gz CVRMSPNTZFIEJS-SNVBAGLBSA-N 1 2 265.317 -1.180 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)Cn2cccn2)C1 ZINC001010183416 657086484 /nfs/dbraw/zinc/08/64/84/657086484.db2.gz CVRMSPNTZFIEJS-SNVBAGLBSA-N 1 2 265.317 -1.180 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2COCCO2)C1 ZINC001010249148 657087008 /nfs/dbraw/zinc/08/70/08/657087008.db2.gz BTSIFYGUQHTVQE-NXEZZACHSA-N 1 2 271.317 -1.662 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@H]2COCCO2)C1 ZINC001010249148 657087015 /nfs/dbraw/zinc/08/70/15/657087015.db2.gz BTSIFYGUQHTVQE-NXEZZACHSA-N 1 2 271.317 -1.662 20 0 CAADLO O=C(C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2COCCO2)C1)N1CCC1 ZINC001010255962 657087031 /nfs/dbraw/zinc/08/70/31/657087031.db2.gz OTEPPWPTMJBVAG-NEPJUHHUSA-N 1 2 297.355 -1.175 20 0 CAADLO O=C(C[N@H+]1CC[C@@H](NC(=O)[C@@H]2COCCO2)C1)N1CCC1 ZINC001010255962 657087038 /nfs/dbraw/zinc/08/70/38/657087038.db2.gz OTEPPWPTMJBVAG-NEPJUHHUSA-N 1 2 297.355 -1.175 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)Cn2cccn2)C1 ZINC001010198917 657087171 /nfs/dbraw/zinc/08/71/71/657087171.db2.gz YINLINDIVBENLL-VIFPVBQESA-N 1 2 251.290 -1.441 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)Cn2cccn2)C1 ZINC001010198917 657087175 /nfs/dbraw/zinc/08/71/75/657087175.db2.gz YINLINDIVBENLL-VIFPVBQESA-N 1 2 251.290 -1.441 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ccn[nH]2)C1 ZINC001010276521 657087854 /nfs/dbraw/zinc/08/78/54/657087854.db2.gz IWHZYQTVKZXRPX-MRVPVSSYSA-N 1 2 251.290 -1.040 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2ccn[nH]2)C1 ZINC001010276521 657087857 /nfs/dbraw/zinc/08/78/57/657087857.db2.gz IWHZYQTVKZXRPX-MRVPVSSYSA-N 1 2 251.290 -1.040 20 0 CAADLO Cn1cc(CC(=O)N[C@H]2CC[N@H+](CC(N)=O)C2)cn1 ZINC001010363656 657089428 /nfs/dbraw/zinc/08/94/28/657089428.db2.gz BTWMCDONJVZLNJ-JTQLQIEISA-N 1 2 265.317 -1.362 20 0 CAADLO Cn1cc(CC(=O)N[C@H]2CC[N@@H+](CC(N)=O)C2)cn1 ZINC001010363656 657089431 /nfs/dbraw/zinc/08/94/31/657089431.db2.gz BTWMCDONJVZLNJ-JTQLQIEISA-N 1 2 265.317 -1.362 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2nccnc2N)C1 ZINC001010389155 657089540 /nfs/dbraw/zinc/08/95/40/657089540.db2.gz JQRWANUIUMRVNZ-MRVPVSSYSA-N 1 2 278.316 -1.391 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2nccnc2N)C1 ZINC001010389155 657089544 /nfs/dbraw/zinc/08/95/44/657089544.db2.gz JQRWANUIUMRVNZ-MRVPVSSYSA-N 1 2 278.316 -1.391 20 0 CAADLO Cn1cc(CC(=O)N[C@@H]2CC[N@H+](CC(N)=O)C2)cn1 ZINC001010363657 657090068 /nfs/dbraw/zinc/09/00/68/657090068.db2.gz BTWMCDONJVZLNJ-SNVBAGLBSA-N 1 2 265.317 -1.362 20 0 CAADLO Cn1cc(CC(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C2)cn1 ZINC001010363657 657090073 /nfs/dbraw/zinc/09/00/73/657090073.db2.gz BTWMCDONJVZLNJ-SNVBAGLBSA-N 1 2 265.317 -1.362 20 0 CAADLO Cc1cc(CC(=O)N[C@H]2CC[N@H+](CC(N)=O)C2)[nH]n1 ZINC001010534389 657090748 /nfs/dbraw/zinc/09/07/48/657090748.db2.gz KGCKDIPRNWPVOE-VIFPVBQESA-N 1 2 265.317 -1.064 20 0 CAADLO Cc1cc(CC(=O)N[C@H]2CC[N@@H+](CC(N)=O)C2)[nH]n1 ZINC001010534389 657090754 /nfs/dbraw/zinc/09/07/54/657090754.db2.gz KGCKDIPRNWPVOE-VIFPVBQESA-N 1 2 265.317 -1.064 20 0 CAADLO Cc1cc(CC(=O)N[C@H]2CC[N@H+](CC(N)=O)C2)n[nH]1 ZINC001010534389 657090763 /nfs/dbraw/zinc/09/07/63/657090763.db2.gz KGCKDIPRNWPVOE-VIFPVBQESA-N 1 2 265.317 -1.064 20 0 CAADLO Cc1cc(CC(=O)N[C@H]2CC[N@@H+](CC(N)=O)C2)n[nH]1 ZINC001010534389 657090769 /nfs/dbraw/zinc/09/07/69/657090769.db2.gz KGCKDIPRNWPVOE-VIFPVBQESA-N 1 2 265.317 -1.064 20 0 CAADLO Nc1nccnc1C(=O)N[C@@H]1CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001010391883 657090906 /nfs/dbraw/zinc/09/09/06/657090906.db2.gz GJYADICKKKLCOP-BDAKNGLRSA-N 1 2 290.327 -1.249 20 0 CAADLO Nc1nccnc1C(=O)N[C@@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001010391883 657090911 /nfs/dbraw/zinc/09/09/11/657090911.db2.gz GJYADICKKKLCOP-BDAKNGLRSA-N 1 2 290.327 -1.249 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCNC(=O)C2)C1 ZINC001010498300 657091096 /nfs/dbraw/zinc/09/10/96/657091096.db2.gz MFXKFNMGDHXLMP-VHSXEESVSA-N 1 2 282.344 -1.551 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CCNC(=O)C2)C1 ZINC001010498300 657091102 /nfs/dbraw/zinc/09/11/02/657091102.db2.gz MFXKFNMGDHXLMP-VHSXEESVSA-N 1 2 282.344 -1.551 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cc2cc[nH]n2)C1 ZINC001010404358 657091184 /nfs/dbraw/zinc/09/11/84/657091184.db2.gz HYCXKZIMXGBSAW-SECBINFHSA-N 1 2 251.290 -1.372 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)Cc2cc[nH]n2)C1 ZINC001010404358 657091185 /nfs/dbraw/zinc/09/11/85/657091185.db2.gz HYCXKZIMXGBSAW-SECBINFHSA-N 1 2 251.290 -1.372 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)c2nccnc2N)C1 ZINC001010392797 657091231 /nfs/dbraw/zinc/09/12/31/657091231.db2.gz LHVXVCAMXULTGS-RKDXNWHRSA-N 1 2 292.343 -1.003 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+]1CC[C@@H](NC(=O)c2nccnc2N)C1 ZINC001010392797 657091232 /nfs/dbraw/zinc/09/12/32/657091232.db2.gz LHVXVCAMXULTGS-RKDXNWHRSA-N 1 2 292.343 -1.003 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCNC(=O)C2)C1 ZINC001010498301 657091330 /nfs/dbraw/zinc/09/13/30/657091330.db2.gz MFXKFNMGDHXLMP-ZJUUUORDSA-N 1 2 282.344 -1.551 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCNC(=O)C2)C1 ZINC001010498301 657091331 /nfs/dbraw/zinc/09/13/31/657091331.db2.gz MFXKFNMGDHXLMP-ZJUUUORDSA-N 1 2 282.344 -1.551 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)C[C@H]2COC(=O)C2)C1 ZINC001010566365 657092169 /nfs/dbraw/zinc/09/21/69/657092169.db2.gz LDSRZHFVDZNHKN-RKDXNWHRSA-N 1 2 269.301 -1.385 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)C[C@H]2COC(=O)C2)C1 ZINC001010566365 657092172 /nfs/dbraw/zinc/09/21/72/657092172.db2.gz LDSRZHFVDZNHKN-RKDXNWHRSA-N 1 2 269.301 -1.385 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCNC(=O)C2)C1 ZINC001010546169 657092384 /nfs/dbraw/zinc/09/23/84/657092384.db2.gz OTYKYIHSKOYAAY-DTWKUNHWSA-N 1 2 268.317 -1.812 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CCNC(=O)C2)C1 ZINC001010546169 657092387 /nfs/dbraw/zinc/09/23/87/657092387.db2.gz OTYKYIHSKOYAAY-DTWKUNHWSA-N 1 2 268.317 -1.812 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CN2CN=NC2=O)C1 ZINC001010672331 657093278 /nfs/dbraw/zinc/09/32/78/657093278.db2.gz YTPNXGJWTUSSBK-MRVPVSSYSA-N 1 2 282.304 -2.080 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)CN2CN=NC2=O)C1 ZINC001010672331 657093283 /nfs/dbraw/zinc/09/32/83/657093283.db2.gz YTPNXGJWTUSSBK-MRVPVSSYSA-N 1 2 282.304 -2.080 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)CN2CN=NC2=O)C1 ZINC001010699188 657093403 /nfs/dbraw/zinc/09/34/03/657093403.db2.gz SQSLAXYYNBDOMZ-SSDOTTSWSA-N 1 2 268.277 -2.341 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)CN2CN=NC2=O)C1 ZINC001010699188 657093408 /nfs/dbraw/zinc/09/34/08/657093408.db2.gz SQSLAXYYNBDOMZ-SSDOTTSWSA-N 1 2 268.277 -2.341 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)CN2CCOCC2)C1 ZINC001010670765 657093530 /nfs/dbraw/zinc/09/35/30/657093530.db2.gz QKVRDQLPUXSBFW-SNVBAGLBSA-N 1 2 270.333 -2.006 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)CN2CCOCC2)C1 ZINC001010670765 657093533 /nfs/dbraw/zinc/09/35/33/657093533.db2.gz QKVRDQLPUXSBFW-SNVBAGLBSA-N 1 2 270.333 -2.006 20 0 CAADLO CN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)c2cnn(C)c2N)C1 ZINC001010707917 657093630 /nfs/dbraw/zinc/09/36/30/657093630.db2.gz LXVOSBAAUZDWQH-VIFPVBQESA-N 1 2 294.359 -1.105 20 0 CAADLO CN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)c2cnn(C)c2N)C1 ZINC001010707917 657093634 /nfs/dbraw/zinc/09/36/34/657093634.db2.gz LXVOSBAAUZDWQH-VIFPVBQESA-N 1 2 294.359 -1.105 20 0 CAADLO CN1CCOC[C@H]1C(=O)N[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001010696989 657093955 /nfs/dbraw/zinc/09/39/55/657093955.db2.gz VBKJAEGRBYMKMU-ZJUUUORDSA-N 1 2 270.333 -2.007 20 0 CAADLO CN1CCOC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001010696989 657093959 /nfs/dbraw/zinc/09/39/59/657093959.db2.gz VBKJAEGRBYMKMU-ZJUUUORDSA-N 1 2 270.333 -2.007 20 0 CAADLO CN1CCOC[C@@H]1C(=O)N[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001010696985 657094760 /nfs/dbraw/zinc/09/47/60/657094760.db2.gz VBKJAEGRBYMKMU-NXEZZACHSA-N 1 2 270.333 -2.007 20 0 CAADLO CN1CCOC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001010696985 657094767 /nfs/dbraw/zinc/09/47/67/657094767.db2.gz VBKJAEGRBYMKMU-NXEZZACHSA-N 1 2 270.333 -2.007 20 0 CAADLO Cc1[nH+]c[nH]c1CC(=O)N1CCN(C(=O)CC(N)=O)CC1 ZINC001010787204 657095208 /nfs/dbraw/zinc/09/52/08/657095208.db2.gz GDUJPIUIMVZFSD-UHFFFAOYSA-N 1 2 293.327 -1.193 20 0 CAADLO Cn1oc(C(=O)N[C@H]2CC[N@H+](CC(N)=O)C2)cc1=O ZINC001010772686 657095517 /nfs/dbraw/zinc/09/55/17/657095517.db2.gz ITYBYOFCMVJFHF-ZETCQYMHSA-N 1 2 268.273 -1.732 20 0 CAADLO Cn1oc(C(=O)N[C@H]2CC[N@@H+](CC(N)=O)C2)cc1=O ZINC001010772686 657095525 /nfs/dbraw/zinc/09/55/25/657095525.db2.gz ITYBYOFCMVJFHF-ZETCQYMHSA-N 1 2 268.273 -1.732 20 0 CAADLO CC(=O)N1CC(C(=O)N[C@H]2CC[N@H+](CC(N)=O)C2)C1 ZINC001010761080 657095649 /nfs/dbraw/zinc/09/56/49/657095649.db2.gz SHPIILRZTSQPOY-JTQLQIEISA-N 1 2 268.317 -1.860 20 0 CAADLO CC(=O)N1CC(C(=O)N[C@H]2CC[N@@H+](CC(N)=O)C2)C1 ZINC001010761080 657095659 /nfs/dbraw/zinc/09/56/59/657095659.db2.gz SHPIILRZTSQPOY-JTQLQIEISA-N 1 2 268.317 -1.860 20 0 CAADLO Cn1ncc(C(=O)N[C@H]2CC[N@H+](CC(N)=O)C2)c1N ZINC001010719871 657095760 /nfs/dbraw/zinc/09/57/60/657095760.db2.gz TTWOTQGYTRFATE-ZETCQYMHSA-N 1 2 266.305 -1.708 20 0 CAADLO Cn1ncc(C(=O)N[C@H]2CC[N@@H+](CC(N)=O)C2)c1N ZINC001010719871 657095765 /nfs/dbraw/zinc/09/57/65/657095765.db2.gz TTWOTQGYTRFATE-ZETCQYMHSA-N 1 2 266.305 -1.708 20 0 CAADLO Cn1ncc(C(=O)N[C@H]2CC[N@@H+]([C@H]3CCNC3=O)C2)c1N ZINC001010718874 657095921 /nfs/dbraw/zinc/09/59/21/657095921.db2.gz QJGVPPYWVVHOAQ-WPRPVWTQSA-N 1 2 292.343 -1.305 20 0 CAADLO Cn1ncc(C(=O)N[C@H]2CC[N@H+]([C@H]3CCNC3=O)C2)c1N ZINC001010718874 657095927 /nfs/dbraw/zinc/09/59/27/657095927.db2.gz QJGVPPYWVVHOAQ-WPRPVWTQSA-N 1 2 292.343 -1.305 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)Cc2cncnc2)C1 ZINC001010794159 657097259 /nfs/dbraw/zinc/09/72/59/657097259.db2.gz OFSIUECGXXCUHX-NSHDSACASA-N 1 2 277.328 -1.044 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)Cc2cncnc2)C1 ZINC001010794159 657097263 /nfs/dbraw/zinc/09/72/63/657097263.db2.gz OFSIUECGXXCUHX-NSHDSACASA-N 1 2 277.328 -1.044 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cc2cncnc2)C1 ZINC001010799753 657097284 /nfs/dbraw/zinc/09/72/84/657097284.db2.gz ILURXYMREFUVOL-SNVBAGLBSA-N 1 2 263.301 -1.305 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)Cc2cncnc2)C1 ZINC001010799753 657097289 /nfs/dbraw/zinc/09/72/89/657097289.db2.gz ILURXYMREFUVOL-SNVBAGLBSA-N 1 2 263.301 -1.305 20 0 CAADLO Cn1nccc1CC(=O)N[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001010793554 657097631 /nfs/dbraw/zinc/09/76/31/657097631.db2.gz KIDMNYIOUKWOAP-VIFPVBQESA-N 1 2 265.317 -1.362 20 0 CAADLO Cn1nccc1CC(=O)N[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001010793554 657097645 /nfs/dbraw/zinc/09/76/45/657097645.db2.gz KIDMNYIOUKWOAP-VIFPVBQESA-N 1 2 265.317 -1.362 20 0 CAADLO NC(=O)CC(=O)N1CCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001010800018 657097830 /nfs/dbraw/zinc/09/78/30/657097830.db2.gz NAZLIGXUTWEPGZ-UHFFFAOYSA-N 1 2 293.327 -1.112 20 0 CAADLO O=C(C[N@@H+]1CC[C@@H](NC(=O)[C@H]2COC(=O)N2)C1)NC1CC1 ZINC001010834659 657098254 /nfs/dbraw/zinc/09/82/54/657098254.db2.gz PLUJQYBMADOXCR-NXEZZACHSA-N 1 2 296.327 -1.436 20 0 CAADLO O=C(C[N@H+]1CC[C@@H](NC(=O)[C@H]2COC(=O)N2)C1)NC1CC1 ZINC001010834659 657098259 /nfs/dbraw/zinc/09/82/59/657098259.db2.gz PLUJQYBMADOXCR-NXEZZACHSA-N 1 2 296.327 -1.436 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cnnn2C)C1 ZINC001010824743 657098346 /nfs/dbraw/zinc/09/83/46/657098346.db2.gz UCHLJUDALTWCFD-QMMMGPOBSA-N 1 2 266.305 -1.635 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cnnn2C)C1 ZINC001010824743 657098353 /nfs/dbraw/zinc/09/83/53/657098353.db2.gz UCHLJUDALTWCFD-QMMMGPOBSA-N 1 2 266.305 -1.635 20 0 CAADLO Cn1nncc1C(=O)N[C@H]1CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001010830038 657098382 /nfs/dbraw/zinc/09/83/82/657098382.db2.gz NQRBIGHVKGPPHL-IUCAKERBSA-N 1 2 278.316 -1.492 20 0 CAADLO Cn1nncc1C(=O)N[C@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001010830038 657098389 /nfs/dbraw/zinc/09/83/89/657098389.db2.gz NQRBIGHVKGPPHL-IUCAKERBSA-N 1 2 278.316 -1.492 20 0 CAADLO O=C(C[N@@H+]1CC[C@H](NC(=O)[C@H]2COC(=O)N2)C1)NC1CC1 ZINC001010834662 657098560 /nfs/dbraw/zinc/09/85/60/657098560.db2.gz PLUJQYBMADOXCR-VHSXEESVSA-N 1 2 296.327 -1.436 20 0 CAADLO O=C(C[N@H+]1CC[C@H](NC(=O)[C@H]2COC(=O)N2)C1)NC1CC1 ZINC001010834662 657098567 /nfs/dbraw/zinc/09/85/67/657098567.db2.gz PLUJQYBMADOXCR-VHSXEESVSA-N 1 2 296.327 -1.436 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cnnn2C)C1 ZINC001010824737 657098636 /nfs/dbraw/zinc/09/86/36/657098636.db2.gz UCHLJUDALTWCFD-MRVPVSSYSA-N 1 2 266.305 -1.635 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cnnn2C)C1 ZINC001010824737 657098642 /nfs/dbraw/zinc/09/86/42/657098642.db2.gz UCHLJUDALTWCFD-MRVPVSSYSA-N 1 2 266.305 -1.635 20 0 CAADLO Cn1nncc1C(=O)N[C@H]1CC[N@H+](CC(=O)N2CCC2)C1 ZINC001010817863 657098906 /nfs/dbraw/zinc/09/89/06/657098906.db2.gz AMEQQIXQWVGDSP-JTQLQIEISA-N 1 2 292.343 -1.149 20 0 CAADLO Cn1nncc1C(=O)N[C@H]1CC[N@@H+](CC(=O)N2CCC2)C1 ZINC001010817863 657098913 /nfs/dbraw/zinc/09/89/13/657098913.db2.gz AMEQQIXQWVGDSP-JTQLQIEISA-N 1 2 292.343 -1.149 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)c2cnnn2C)C1 ZINC001010829952 657099076 /nfs/dbraw/zinc/09/90/76/657099076.db2.gz NFFVUHKBOFMSDB-JGVFFNPUSA-N 1 2 266.305 -1.507 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)c2cnnn2C)C1 ZINC001010829952 657099083 /nfs/dbraw/zinc/09/90/83/657099083.db2.gz NFFVUHKBOFMSDB-JGVFFNPUSA-N 1 2 266.305 -1.507 20 0 CAADLO Cn1nncc1C(=O)N[C@@H]1CC[N@H+](CC(=O)NC2CC2)C1 ZINC001010833713 657099174 /nfs/dbraw/zinc/09/91/74/657099174.db2.gz ZMZOEDXEZNAAAW-SNVBAGLBSA-N 1 2 292.343 -1.102 20 0 CAADLO Cn1nncc1C(=O)N[C@@H]1CC[N@@H+](CC(=O)NC2CC2)C1 ZINC001010833713 657099182 /nfs/dbraw/zinc/09/91/82/657099182.db2.gz ZMZOEDXEZNAAAW-SNVBAGLBSA-N 1 2 292.343 -1.102 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2COC(=O)N2)C1 ZINC001010835882 657099470 /nfs/dbraw/zinc/09/94/70/657099470.db2.gz XBEUKQVZYXPNSK-HTQZYQBOSA-N 1 2 270.289 -1.969 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@H]2COC(=O)N2)C1 ZINC001010835882 657099480 /nfs/dbraw/zinc/09/94/80/657099480.db2.gz XBEUKQVZYXPNSK-HTQZYQBOSA-N 1 2 270.289 -1.969 20 0 CAADLO Cn1cc(C(=O)N[C@@H]2CC[N@H+](CC(=O)N3CCC3)C2)nn1 ZINC001010849746 657099886 /nfs/dbraw/zinc/09/98/86/657099886.db2.gz HNFUEOYBAVSQPD-SNVBAGLBSA-N 1 2 292.343 -1.149 20 0 CAADLO Cn1cc(C(=O)N[C@@H]2CC[N@@H+](CC(=O)N3CCC3)C2)nn1 ZINC001010849746 657099900 /nfs/dbraw/zinc/09/99/00/657099900.db2.gz HNFUEOYBAVSQPD-SNVBAGLBSA-N 1 2 292.343 -1.149 20 0 CAADLO Cn1cc(C(=O)N[C@@H]2CC[N@H+](CC(=O)NC3CC3)C2)nn1 ZINC001010855461 657100145 /nfs/dbraw/zinc/10/01/45/657100145.db2.gz WTXFBYXRKRMLHJ-SNVBAGLBSA-N 1 2 292.343 -1.102 20 0 CAADLO Cn1cc(C(=O)N[C@@H]2CC[N@@H+](CC(=O)NC3CC3)C2)nn1 ZINC001010855461 657100149 /nfs/dbraw/zinc/10/01/49/657100149.db2.gz WTXFBYXRKRMLHJ-SNVBAGLBSA-N 1 2 292.343 -1.102 20 0 CAADLO Cc1nnc(CC(=O)N[C@H]2CC[N@@H+]([C@@H](C)C(N)=O)C2)o1 ZINC001010867339 657100164 /nfs/dbraw/zinc/10/01/64/657100164.db2.gz AGNRNDHRZAWNHF-CBAPKCEASA-N 1 2 281.316 -1.015 20 0 CAADLO Cc1nnc(CC(=O)N[C@H]2CC[N@H+]([C@@H](C)C(N)=O)C2)o1 ZINC001010867339 657100166 /nfs/dbraw/zinc/10/01/66/657100166.db2.gz AGNRNDHRZAWNHF-CBAPKCEASA-N 1 2 281.316 -1.015 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2COC(=O)N2)C1 ZINC001010835964 657100288 /nfs/dbraw/zinc/10/02/88/657100288.db2.gz YLXNNSMBFWWSJQ-RQJHMYQMSA-N 1 2 256.262 -2.229 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2COC(=O)N2)C1 ZINC001010835964 657100299 /nfs/dbraw/zinc/10/02/99/657100299.db2.gz YLXNNSMBFWWSJQ-RQJHMYQMSA-N 1 2 256.262 -2.229 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2COC(=O)N2)C1 ZINC001010835890 657100550 /nfs/dbraw/zinc/10/05/50/657100550.db2.gz XBEUKQVZYXPNSK-YUMQZZPRSA-N 1 2 270.289 -1.969 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H]2COC(=O)N2)C1 ZINC001010835890 657100565 /nfs/dbraw/zinc/10/05/65/657100565.db2.gz XBEUKQVZYXPNSK-YUMQZZPRSA-N 1 2 270.289 -1.969 20 0 CAADLO Cn1cnc(C(=O)N[C@H]2CC[N@H+](CC(=O)N3CCC3)C2)n1 ZINC001010868931 657100630 /nfs/dbraw/zinc/10/06/30/657100630.db2.gz JPRXRBOMIZHTCE-JTQLQIEISA-N 1 2 292.343 -1.149 20 0 CAADLO Cn1cnc(C(=O)N[C@H]2CC[N@@H+](CC(=O)N3CCC3)C2)n1 ZINC001010868931 657100641 /nfs/dbraw/zinc/10/06/41/657100641.db2.gz JPRXRBOMIZHTCE-JTQLQIEISA-N 1 2 292.343 -1.149 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2COC(=O)N2)C1 ZINC001010835889 657100688 /nfs/dbraw/zinc/10/06/88/657100688.db2.gz XBEUKQVZYXPNSK-SFYZADRCSA-N 1 2 270.289 -1.969 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2COC(=O)N2)C1 ZINC001010835889 657100694 /nfs/dbraw/zinc/10/06/94/657100694.db2.gz XBEUKQVZYXPNSK-SFYZADRCSA-N 1 2 270.289 -1.969 20 0 CAADLO Cc1nnc(CC(=O)N[C@@H]2CC[N@@H+]([C@@H](C)C(N)=O)C2)o1 ZINC001010867340 657101008 /nfs/dbraw/zinc/10/10/08/657101008.db2.gz AGNRNDHRZAWNHF-IONNQARKSA-N 1 2 281.316 -1.015 20 0 CAADLO Cc1nnc(CC(=O)N[C@@H]2CC[N@H+]([C@@H](C)C(N)=O)C2)o1 ZINC001010867340 657101018 /nfs/dbraw/zinc/10/10/18/657101018.db2.gz AGNRNDHRZAWNHF-IONNQARKSA-N 1 2 281.316 -1.015 20 0 CAADLO CCn1nncc1C(=O)N[C@@H]1CC[N@H+](CC(=O)NC)C1 ZINC001010852699 657101972 /nfs/dbraw/zinc/10/19/72/657101972.db2.gz FIFZGHSHTYIGCK-SECBINFHSA-N 1 2 280.332 -1.152 20 0 CAADLO CCn1nncc1C(=O)N[C@@H]1CC[N@@H+](CC(=O)NC)C1 ZINC001010852699 657101975 /nfs/dbraw/zinc/10/19/75/657101975.db2.gz FIFZGHSHTYIGCK-SECBINFHSA-N 1 2 280.332 -1.152 20 0 CAADLO NC(=O)C(=O)N1CCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001011061851 657103226 /nfs/dbraw/zinc/10/32/26/657103226.db2.gz IGZTUJHOMZRDTP-UHFFFAOYSA-N 1 2 279.300 -1.502 20 0 CAADLO CC[C@@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)c2ncn(C)n2)C1 ZINC001010880446 657103882 /nfs/dbraw/zinc/10/38/82/657103882.db2.gz KADXYNKMQFUCMR-IUCAKERBSA-N 1 2 280.332 -1.117 20 0 CAADLO CC[C@@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)c2ncn(C)n2)C1 ZINC001010880446 657103887 /nfs/dbraw/zinc/10/38/87/657103887.db2.gz KADXYNKMQFUCMR-IUCAKERBSA-N 1 2 280.332 -1.117 20 0 CAADLO CC[C@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)c2ncn(C)n2)C1 ZINC001010880445 657104189 /nfs/dbraw/zinc/10/41/89/657104189.db2.gz KADXYNKMQFUCMR-DTWKUNHWSA-N 1 2 280.332 -1.117 20 0 CAADLO CC[C@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)c2ncn(C)n2)C1 ZINC001010880445 657104198 /nfs/dbraw/zinc/10/41/98/657104198.db2.gz KADXYNKMQFUCMR-DTWKUNHWSA-N 1 2 280.332 -1.117 20 0 CAADLO O=C(Cn1cc[nH+]c1)N1CCN(C(=O)c2nc[nH]n2)CC1 ZINC001011329350 657108268 /nfs/dbraw/zinc/10/82/68/657108268.db2.gz GKOOJFSZKCESFB-UHFFFAOYSA-N 1 2 289.299 -1.014 20 0 CAADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCN(C(=O)C(N)=O)CC1 ZINC001011193586 657108525 /nfs/dbraw/zinc/10/85/25/657108525.db2.gz CMVWKRVDUAUXPS-SECBINFHSA-N 1 2 293.327 -1.256 20 0 CAADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCN(C(=O)C(N)=O)CC1 ZINC001011193586 657108530 /nfs/dbraw/zinc/10/85/30/657108530.db2.gz CMVWKRVDUAUXPS-SECBINFHSA-N 1 2 293.327 -1.256 20 0 CAADLO C[C@H]1[C@H](NC(=O)Cc2c[nH]c[nH+]2)CCN1C(=O)CC(N)=O ZINC001011587236 657111556 /nfs/dbraw/zinc/11/15/56/657111556.db2.gz AAONFRWJPFOEFZ-WCBMZHEXSA-N 1 2 293.327 -1.067 20 0 CAADLO C[C@H]1[C@@H](NC(=O)Cc2c[nH]c[nH+]2)CCN1C(=O)CC(N)=O ZINC001011587237 657112093 /nfs/dbraw/zinc/11/20/93/657112093.db2.gz AAONFRWJPFOEFZ-WPRPVWTQSA-N 1 2 293.327 -1.067 20 0 CAADLO C[C@@H]1[C@H](NC(=O)Cn2cc[nH+]c2)CCN1C(=O)CC(N)=O ZINC001011586024 657112493 /nfs/dbraw/zinc/11/24/93/657112493.db2.gz OISJJCJXXZSVRJ-NXEZZACHSA-N 1 2 293.327 -1.136 20 0 CAADLO C[C@H]1[C@H](NC(=O)C(N)=O)CCN1C(=O)CCc1[nH]cc[nH+]1 ZINC001011703464 657114120 /nfs/dbraw/zinc/11/41/20/657114120.db2.gz DJRBTFGVYLEBAP-DTWKUNHWSA-N 1 2 293.327 -1.067 20 0 CAADLO Cc1[nH+]c[nH]c1CC(=O)N1CCN(C(=O)C(N)=O)CC1 ZINC001011849023 657116350 /nfs/dbraw/zinc/11/63/50/657116350.db2.gz CWLZWTLLQIBXBP-UHFFFAOYSA-N 1 2 279.300 -1.583 20 0 CAADLO C[C@@H]1[C@H](NC(=O)C(N)=O)CCN1C(=O)CCn1cc[nH+]c1 ZINC001011932391 657118178 /nfs/dbraw/zinc/11/81/78/657118178.db2.gz VGQSWWJNJYBKAB-NXEZZACHSA-N 1 2 293.327 -1.136 20 0 CAADLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCN(C(=O)C(N)=O)[C@H]1C ZINC001012014308 657119622 /nfs/dbraw/zinc/11/96/22/657119622.db2.gz BSLVBVJSRGNYDS-DTWKUNHWSA-N 1 2 293.327 -1.148 20 0 CAADLO C[C@@H]1[C@H](NC(=O)Cc2c[nH]c[nH+]2)CCN1C(=O)C(N)=O ZINC001012026349 657121690 /nfs/dbraw/zinc/12/16/90/657121690.db2.gz UDPBCEBNIRKSOD-VXNVDRBHSA-N 1 2 279.300 -1.457 20 0 CAADLO C[C@@H]1C[C@H](NC(=O)Cc2[nH]cc[nH+]2)CN1C(=O)CC(N)=O ZINC001012407127 657127062 /nfs/dbraw/zinc/12/70/62/657127062.db2.gz GJLHPDIFQJDRJN-BDAKNGLRSA-N 1 2 293.327 -1.067 20 0 CAADLO C[C@H]1C[C@H](NC(=O)Cc2c[nH]c[nH+]2)CN1C(=O)CC(N)=O ZINC001012411356 657128651 /nfs/dbraw/zinc/12/86/51/657128651.db2.gz FVYDSSGVOOEUDG-WPRPVWTQSA-N 1 2 293.327 -1.067 20 0 CAADLO C[C@@H]1C[C@H](NC(=O)C(N)=O)CN1C(=O)CCc1[nH]cc[nH+]1 ZINC001012539710 657129904 /nfs/dbraw/zinc/12/99/04/657129904.db2.gz VCIIGGUEROVRGE-BDAKNGLRSA-N 1 2 293.327 -1.067 20 0 CAADLO C[C@@H]1C[C@H](NC(=O)C(N)=O)CN1C(=O)CCc1c[nH]c[nH+]1 ZINC001012923898 657132121 /nfs/dbraw/zinc/13/21/21/657132121.db2.gz QIXNOYHYMJWEQF-SCZZXKLOSA-N 1 2 293.327 -1.067 20 0 CAADLO C[C@@H]1C[C@H](NC(=O)C(N)=O)CN1C(=O)CCc1c[nH+]c[nH]1 ZINC001012923898 657132137 /nfs/dbraw/zinc/13/21/37/657132137.db2.gz QIXNOYHYMJWEQF-SCZZXKLOSA-N 1 2 293.327 -1.067 20 0 CAADLO C[C@H]1C[C@H](NC(=O)C(N)=O)CN1C(=O)Cc1c[nH+]cn1C ZINC001013336085 657133696 /nfs/dbraw/zinc/13/36/96/657133696.db2.gz AJYWRIMASCGLMB-IUCAKERBSA-N 1 2 293.327 -1.447 20 0 CAADLO C[C@@H]1C[C@@H](NC(=O)C(N)=O)CN1C(=O)Cc1c[nH+]cn1C ZINC001013336086 657133788 /nfs/dbraw/zinc/13/37/88/657133788.db2.gz AJYWRIMASCGLMB-RKDXNWHRSA-N 1 2 293.327 -1.447 20 0 CAADLO C[C@@H]1C[C@H](NC(=O)C(N)=O)CN1C(=O)Cc1[nH]cc[nH+]1 ZINC001013931999 657137529 /nfs/dbraw/zinc/13/75/29/657137529.db2.gz GDQMPHPQEJVYFP-SFYZADRCSA-N 1 2 279.300 -1.457 20 0 CAADLO C[C@H]1C[C@@H](NC(=O)C(N)=O)CN1C(=O)Cc1[nH]cc[nH+]1 ZINC001013931998 657137695 /nfs/dbraw/zinc/13/76/95/657137695.db2.gz GDQMPHPQEJVYFP-JGVFFNPUSA-N 1 2 279.300 -1.457 20 0 CAADLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[C@@H](C)N(C(=O)C(N)=O)C1 ZINC001013965320 657140182 /nfs/dbraw/zinc/14/01/82/657140182.db2.gz FYOYRDMSGCDUEH-VXNVDRBHSA-N 1 2 293.327 -1.148 20 0 CAADLO C[C@@H]1C[C@@H](NC(=O)Cc2c[nH]c[nH+]2)CN1C(=O)C(N)=O ZINC001013975345 657142054 /nfs/dbraw/zinc/14/20/54/657142054.db2.gz LLUBOIUTQGHITK-VXNVDRBHSA-N 1 2 279.300 -1.457 20 0 CAADLO C[C@H]1C[C@H](NC(=O)Cc2c[nH]c[nH+]2)CN1C(=O)C(N)=O ZINC001013975343 657142588 /nfs/dbraw/zinc/14/25/88/657142588.db2.gz LLUBOIUTQGHITK-CBAPKCEASA-N 1 2 279.300 -1.457 20 0 CAADLO C[C@H]1C[C@@H](NC(=O)C(N)=O)CN1C(=O)Cc1c[nH+]c[nH]1 ZINC001014101999 657143179 /nfs/dbraw/zinc/14/31/79/657143179.db2.gz GJFFDEZETYYWPA-IONNQARKSA-N 1 2 279.300 -1.457 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cc2ccn(C)n2)C1 ZINC001014387346 657144230 /nfs/dbraw/zinc/14/42/30/657144230.db2.gz JRQVLOGPNIGYAE-LLVKDONJSA-N 1 2 279.344 -1.101 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)Cc2ccn(C)n2)C1 ZINC001014387346 657144233 /nfs/dbraw/zinc/14/42/33/657144233.db2.gz JRQVLOGPNIGYAE-LLVKDONJSA-N 1 2 279.344 -1.101 20 0 CAADLO CCn1nncc1C(=O)N[C@H]1CC[N@@H+]([C@@H](C)C(N)=O)C1 ZINC001014372723 657144891 /nfs/dbraw/zinc/14/48/91/657144891.db2.gz YMKYCJDPUSEDMZ-IUCAKERBSA-N 1 2 280.332 -1.024 20 0 CAADLO CCn1nncc1C(=O)N[C@H]1CC[N@H+]([C@@H](C)C(N)=O)C1 ZINC001014372723 657144900 /nfs/dbraw/zinc/14/49/00/657144900.db2.gz YMKYCJDPUSEDMZ-IUCAKERBSA-N 1 2 280.332 -1.024 20 0 CAADLO Cn1ccc(CC(=O)N[C@@H]2CC[N@H+](CC(N)=O)C2)n1 ZINC001014406479 657146016 /nfs/dbraw/zinc/14/60/16/657146016.db2.gz KVLSQACYGCNTIN-SNVBAGLBSA-N 1 2 265.317 -1.362 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cn2ncnn2)C1 ZINC001014427175 657145890 /nfs/dbraw/zinc/14/58/90/657145890.db2.gz IQDODUUATJJQHN-MRVPVSSYSA-N 1 2 267.293 -2.390 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)Cn2ncnn2)C1 ZINC001014427175 657145892 /nfs/dbraw/zinc/14/58/92/657145892.db2.gz IQDODUUATJJQHN-MRVPVSSYSA-N 1 2 267.293 -2.390 20 0 CAADLO Cn1ccc(CC(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C2)n1 ZINC001014406479 657146019 /nfs/dbraw/zinc/14/60/19/657146019.db2.gz KVLSQACYGCNTIN-SNVBAGLBSA-N 1 2 265.317 -1.362 20 0 CAADLO Cn1nncc1C[N@@H+]1CC[C@H](NC(=O)Cn2ncnn2)C1 ZINC001014432174 657146638 /nfs/dbraw/zinc/14/66/38/657146638.db2.gz VYBLORHYMGBATB-VIFPVBQESA-N 1 2 291.319 -1.808 20 0 CAADLO Cn1nncc1C[N@H+]1CC[C@H](NC(=O)Cn2ncnn2)C1 ZINC001014432174 657146649 /nfs/dbraw/zinc/14/66/49/657146649.db2.gz VYBLORHYMGBATB-VIFPVBQESA-N 1 2 291.319 -1.808 20 0 CAADLO Cn1ccc(CC(=O)N[C@H]2CC[N@H+](CC(N)=O)C2)n1 ZINC001014406477 657146714 /nfs/dbraw/zinc/14/67/14/657146714.db2.gz KVLSQACYGCNTIN-JTQLQIEISA-N 1 2 265.317 -1.362 20 0 CAADLO Cn1ccc(CC(=O)N[C@H]2CC[N@@H+](CC(N)=O)C2)n1 ZINC001014406477 657146717 /nfs/dbraw/zinc/14/67/17/657146717.db2.gz KVLSQACYGCNTIN-JTQLQIEISA-N 1 2 265.317 -1.362 20 0 CAADLO O=C(Cn1nccn1)N[C@H]1CC[N@@H+](CC(=O)NC2CC2)C1 ZINC001014562157 657148493 /nfs/dbraw/zinc/14/84/93/657148493.db2.gz AGUVFYURJUEJTL-NSHDSACASA-N 1 2 292.343 -1.253 20 0 CAADLO O=C(Cn1nccn1)N[C@H]1CC[N@H+](CC(=O)NC2CC2)C1 ZINC001014562157 657148496 /nfs/dbraw/zinc/14/84/96/657148496.db2.gz AGUVFYURJUEJTL-NSHDSACASA-N 1 2 292.343 -1.253 20 0 CAADLO C[C@H]1CC(=O)N[C@@H](C(=O)N[C@@H]2CC[N@H+](CC(N)=O)C2)C1 ZINC001014457468 657148613 /nfs/dbraw/zinc/14/86/13/657148613.db2.gz ADBIBXJMQKGRAS-OPRDCNLKSA-N 1 2 282.344 -1.423 20 0 CAADLO C[C@H]1CC(=O)N[C@@H](C(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C2)C1 ZINC001014457468 657148617 /nfs/dbraw/zinc/14/86/17/657148617.db2.gz ADBIBXJMQKGRAS-OPRDCNLKSA-N 1 2 282.344 -1.423 20 0 CAADLO O=C(N[C@@H]1CC[N@@H+](CCO)C1)C1CS(=O)(=O)C1 ZINC001014546304 657149028 /nfs/dbraw/zinc/14/90/28/657149028.db2.gz BXFZMIQISMGHQC-SECBINFHSA-N 1 2 262.331 -1.786 20 0 CAADLO O=C(N[C@@H]1CC[N@H+](CCO)C1)C1CS(=O)(=O)C1 ZINC001014546304 657149035 /nfs/dbraw/zinc/14/90/35/657149035.db2.gz BXFZMIQISMGHQC-SECBINFHSA-N 1 2 262.331 -1.786 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001014504499 657149149 /nfs/dbraw/zinc/14/91/49/657149149.db2.gz WZYCLSRKPVDZOH-SSDOTTSWSA-N 1 2 295.303 -2.947 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001014504499 657149162 /nfs/dbraw/zinc/14/91/62/657149162.db2.gz WZYCLSRKPVDZOH-SSDOTTSWSA-N 1 2 295.303 -2.947 20 0 CAADLO CCN1C[C@H](C(=O)N[C@H]2CC[N@H+](CC(=O)NC)C2)CC1=O ZINC001014629450 657149685 /nfs/dbraw/zinc/14/96/85/657149685.db2.gz JRUGETVDARFMHZ-MNOVXSKESA-N 1 2 296.371 -1.209 20 0 CAADLO CCN1C[C@H](C(=O)N[C@H]2CC[N@@H+](CC(=O)NC)C2)CC1=O ZINC001014629450 657149689 /nfs/dbraw/zinc/14/96/89/657149689.db2.gz JRUGETVDARFMHZ-MNOVXSKESA-N 1 2 296.371 -1.209 20 0 CAADLO CC(C)N1C[C@@H](C(=O)N[C@@H]2CC[N@H+](CC(N)=O)C2)CC1=O ZINC001014611226 657149841 /nfs/dbraw/zinc/14/98/41/657149841.db2.gz NRCOCUYVVYDOAS-WDEREUQCSA-N 1 2 296.371 -1.081 20 0 CAADLO CC(C)N1C[C@@H](C(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C2)CC1=O ZINC001014611226 657149846 /nfs/dbraw/zinc/14/98/46/657149846.db2.gz NRCOCUYVVYDOAS-WDEREUQCSA-N 1 2 296.371 -1.081 20 0 CAADLO CN1C[C@H](C(=O)N[C@H]2CC[N@H+](CC(N)=O)C2)CC1=O ZINC001014613596 657150093 /nfs/dbraw/zinc/15/00/93/657150093.db2.gz CLQSVDVOWJCLTN-BDAKNGLRSA-N 1 2 268.317 -1.860 20 0 CAADLO CN1C[C@H](C(=O)N[C@H]2CC[N@@H+](CC(N)=O)C2)CC1=O ZINC001014613596 657150100 /nfs/dbraw/zinc/15/01/00/657150100.db2.gz CLQSVDVOWJCLTN-BDAKNGLRSA-N 1 2 268.317 -1.860 20 0 CAADLO Cc1c(CC(=O)N[C@H]2CC[N@H+](CC(N)=O)C2)cnn1C ZINC001014678403 657150362 /nfs/dbraw/zinc/15/03/62/657150362.db2.gz KVVSZFZQCKYCIZ-NSHDSACASA-N 1 2 279.344 -1.053 20 0 CAADLO Cc1c(CC(=O)N[C@H]2CC[N@@H+](CC(N)=O)C2)cnn1C ZINC001014678403 657150369 /nfs/dbraw/zinc/15/03/69/657150369.db2.gz KVVSZFZQCKYCIZ-NSHDSACASA-N 1 2 279.344 -1.053 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)C[C@H]2CCC(=O)NC2)C1 ZINC001014701095 657151102 /nfs/dbraw/zinc/15/11/02/657151102.db2.gz QTVXLORBALCMPI-NXEZZACHSA-N 1 2 282.344 -1.422 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)C[C@H]2CCC(=O)NC2)C1 ZINC001014701095 657151111 /nfs/dbraw/zinc/15/11/11/657151111.db2.gz QTVXLORBALCMPI-NXEZZACHSA-N 1 2 282.344 -1.422 20 0 CAADLO CCN1C[C@@H](C(=O)N[C@@H]2CC[N@H+](CC(N)=O)C2)CC1=O ZINC001014640135 657151256 /nfs/dbraw/zinc/15/12/56/657151256.db2.gz ZGMQDLQETIPJLZ-VHSXEESVSA-N 1 2 282.344 -1.469 20 0 CAADLO CCN1C[C@@H](C(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C2)CC1=O ZINC001014640135 657151261 /nfs/dbraw/zinc/15/12/61/657151261.db2.gz ZGMQDLQETIPJLZ-VHSXEESVSA-N 1 2 282.344 -1.469 20 0 CAADLO CCN1C[C@H](C(=O)N[C@@H]2CC[N@H+](CC(N)=O)C2)CC1=O ZINC001014640121 657151451 /nfs/dbraw/zinc/15/14/51/657151451.db2.gz ZGMQDLQETIPJLZ-NXEZZACHSA-N 1 2 282.344 -1.469 20 0 CAADLO CCN1C[C@H](C(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C2)CC1=O ZINC001014640121 657151457 /nfs/dbraw/zinc/15/14/57/657151457.db2.gz ZGMQDLQETIPJLZ-NXEZZACHSA-N 1 2 282.344 -1.469 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCNC2=O)C1 ZINC001014809493 657152569 /nfs/dbraw/zinc/15/25/69/657152569.db2.gz CZWJDRZBACWUHV-NXEZZACHSA-N 1 2 282.344 -1.551 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCNC2=O)C1 ZINC001014809493 657152582 /nfs/dbraw/zinc/15/25/82/657152582.db2.gz CZWJDRZBACWUHV-NXEZZACHSA-N 1 2 282.344 -1.551 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2OCCO[C@H]2C)C1 ZINC001014790455 657152631 /nfs/dbraw/zinc/15/26/31/657152631.db2.gz VXDOLYGQZHUNTL-UMNHJUIQSA-N 1 2 285.344 -1.273 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@H]2OCCO[C@H]2C)C1 ZINC001014790455 657152637 /nfs/dbraw/zinc/15/26/37/657152637.db2.gz VXDOLYGQZHUNTL-UMNHJUIQSA-N 1 2 285.344 -1.273 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cnc3n2CCOC3)C1 ZINC001014809184 657154004 /nfs/dbraw/zinc/15/40/04/657154004.db2.gz CMKVUTOUXCKMGU-VIFPVBQESA-N 1 2 293.327 -1.297 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)c2cnc3n2CCOC3)C1 ZINC001014809184 657154014 /nfs/dbraw/zinc/15/40/14/657154014.db2.gz CMKVUTOUXCKMGU-VIFPVBQESA-N 1 2 293.327 -1.297 20 0 CAADLO C[C@@H]1OCCO[C@@H]1C(=O)N[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001014790468 657154584 /nfs/dbraw/zinc/15/45/84/657154584.db2.gz WILOUJBUWAVCMZ-NGZCFLSTSA-N 1 2 271.317 -1.534 20 0 CAADLO C[C@@H]1OCCO[C@@H]1C(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001014790468 657154598 /nfs/dbraw/zinc/15/45/98/657154598.db2.gz WILOUJBUWAVCMZ-NGZCFLSTSA-N 1 2 271.317 -1.534 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)c2cc3n(n2)CCO3)C1 ZINC001014735357 657154662 /nfs/dbraw/zinc/15/46/62/657154662.db2.gz DXKLECKJONLLDF-IUCAKERBSA-N 1 2 293.327 -1.047 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)c2cc3n(n2)CCO3)C1 ZINC001014735357 657154666 /nfs/dbraw/zinc/15/46/66/657154666.db2.gz DXKLECKJONLLDF-IUCAKERBSA-N 1 2 293.327 -1.047 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cc(=O)n(C)cn2)C1 ZINC001014779811 657154757 /nfs/dbraw/zinc/15/47/57/657154757.db2.gz NGJYTDLKGJIYQS-VIFPVBQESA-N 1 2 293.327 -1.670 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cc(=O)n(C)cn2)C1 ZINC001014779811 657154763 /nfs/dbraw/zinc/15/47/63/657154763.db2.gz NGJYTDLKGJIYQS-VIFPVBQESA-N 1 2 293.327 -1.670 20 0 CAADLO Cn1ccc(C(=O)N[C@H]2CC[N@H+](CC(N)=O)C2)cc1=O ZINC001014975340 657155602 /nfs/dbraw/zinc/15/56/02/657155602.db2.gz LZVURBUWOUHLPW-JTQLQIEISA-N 1 2 278.312 -1.325 20 0 CAADLO Cn1ccc(C(=O)N[C@H]2CC[N@@H+](CC(N)=O)C2)cc1=O ZINC001014975340 657155606 /nfs/dbraw/zinc/15/56/06/657155606.db2.gz LZVURBUWOUHLPW-JTQLQIEISA-N 1 2 278.312 -1.325 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cn[nH]c(=O)c2)C1 ZINC001014835461 657155855 /nfs/dbraw/zinc/15/58/55/657155855.db2.gz YUYTZNHGZSGRJU-MRVPVSSYSA-N 1 2 265.273 -1.528 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cn[nH]c(=O)c2)C1 ZINC001014835461 657155856 /nfs/dbraw/zinc/15/58/56/657155856.db2.gz YUYTZNHGZSGRJU-MRVPVSSYSA-N 1 2 265.273 -1.528 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@]2(C)CCNC(=O)C2)C1 ZINC001014920983 657156031 /nfs/dbraw/zinc/15/60/31/657156031.db2.gz QWSRASJYJBLYKO-QMTHXVAHSA-N 1 2 296.371 -1.161 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@]2(C)CCNC(=O)C2)C1 ZINC001014920983 657156036 /nfs/dbraw/zinc/15/60/36/657156036.db2.gz QWSRASJYJBLYKO-QMTHXVAHSA-N 1 2 296.371 -1.161 20 0 CAADLO CN1CC[C@@H](CC(=O)N[C@H]2CC[N@H+](CC(N)=O)C2)C1=O ZINC001014856997 657156042 /nfs/dbraw/zinc/15/60/42/657156042.db2.gz RMXJEGLHWZCNHE-UWVGGRQHSA-N 1 2 282.344 -1.469 20 0 CAADLO CN1CC[C@@H](CC(=O)N[C@H]2CC[N@@H+](CC(N)=O)C2)C1=O ZINC001014856997 657156047 /nfs/dbraw/zinc/15/60/47/657156047.db2.gz RMXJEGLHWZCNHE-UWVGGRQHSA-N 1 2 282.344 -1.469 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCNC2=O)C1 ZINC001014809496 657156158 /nfs/dbraw/zinc/15/61/58/657156158.db2.gz CZWJDRZBACWUHV-ZJUUUORDSA-N 1 2 282.344 -1.551 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CCCNC2=O)C1 ZINC001014809496 657156161 /nfs/dbraw/zinc/15/61/61/657156161.db2.gz CZWJDRZBACWUHV-ZJUUUORDSA-N 1 2 282.344 -1.551 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@@]2(C)CCNC(=O)C2)C1 ZINC001014920984 657156401 /nfs/dbraw/zinc/15/64/01/657156401.db2.gz QWSRASJYJBLYKO-YGRLFVJLSA-N 1 2 296.371 -1.161 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@@]2(C)CCNC(=O)C2)C1 ZINC001014920984 657156407 /nfs/dbraw/zinc/15/64/07/657156407.db2.gz QWSRASJYJBLYKO-YGRLFVJLSA-N 1 2 296.371 -1.161 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cnc[nH]c2=O)C1 ZINC001014874611 657156564 /nfs/dbraw/zinc/15/65/64/657156564.db2.gz PANIMLQBNRKFAW-SSDOTTSWSA-N 1 2 265.273 -1.528 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cnc[nH]c2=O)C1 ZINC001014874611 657156570 /nfs/dbraw/zinc/15/65/70/657156570.db2.gz PANIMLQBNRKFAW-SSDOTTSWSA-N 1 2 265.273 -1.528 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2[nH]c(=O)[nH]c2C)C1 ZINC001014830315 657156620 /nfs/dbraw/zinc/15/66/20/657156620.db2.gz BTXRZMRKIHGHML-QMMMGPOBSA-N 1 2 281.316 -1.026 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)c2[nH]c(=O)[nH]c2C)C1 ZINC001014830315 657156622 /nfs/dbraw/zinc/15/66/22/657156622.db2.gz BTXRZMRKIHGHML-QMMMGPOBSA-N 1 2 281.316 -1.026 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cnc[nH]c2=O)C1 ZINC001014874612 657156866 /nfs/dbraw/zinc/15/68/66/657156866.db2.gz PANIMLQBNRKFAW-ZETCQYMHSA-N 1 2 265.273 -1.528 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)c2cnc[nH]c2=O)C1 ZINC001014874612 657156870 /nfs/dbraw/zinc/15/68/70/657156870.db2.gz PANIMLQBNRKFAW-ZETCQYMHSA-N 1 2 265.273 -1.528 20 0 CAADLO CN1CC[C@H](CC(=O)N[C@@H]2CC[N@H+](CC(N)=O)C2)C1=O ZINC001014856996 657157081 /nfs/dbraw/zinc/15/70/81/657157081.db2.gz RMXJEGLHWZCNHE-NXEZZACHSA-N 1 2 282.344 -1.469 20 0 CAADLO CN1CC[C@H](CC(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C2)C1=O ZINC001014856996 657157091 /nfs/dbraw/zinc/15/70/91/657157091.db2.gz RMXJEGLHWZCNHE-NXEZZACHSA-N 1 2 282.344 -1.469 20 0 CAADLO COCc1nn(C)cc1C(=O)N[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001014993517 657158156 /nfs/dbraw/zinc/15/81/56/657158156.db2.gz BJBFZGKEFKOXON-SECBINFHSA-N 1 2 295.343 -1.144 20 0 CAADLO COCc1nn(C)cc1C(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001014993517 657158157 /nfs/dbraw/zinc/15/81/57/657158157.db2.gz BJBFZGKEFKOXON-SECBINFHSA-N 1 2 295.343 -1.144 20 0 CAADLO CCN1CCOC[C@@H]1C(=O)N[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001015025177 657158172 /nfs/dbraw/zinc/15/81/72/657158172.db2.gz QKFBBUJNDXGPQR-GHMZBOCLSA-N 1 2 284.360 -1.617 20 0 CAADLO CCN1CCOC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001015025177 657158181 /nfs/dbraw/zinc/15/81/81/657158181.db2.gz QKFBBUJNDXGPQR-GHMZBOCLSA-N 1 2 284.360 -1.617 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)C2CCC(C(N)=O)CC2)C1 ZINC001015036905 657158859 /nfs/dbraw/zinc/15/88/59/657158859.db2.gz HDPLSVXEJQOYOH-ILDUYXDCSA-N 1 2 296.371 -1.046 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)C2CCC(C(N)=O)CC2)C1 ZINC001015036905 657158867 /nfs/dbraw/zinc/15/88/67/657158867.db2.gz HDPLSVXEJQOYOH-ILDUYXDCSA-N 1 2 296.371 -1.046 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)C2CCC(C(N)=O)CC2)C1 ZINC001015036908 657159118 /nfs/dbraw/zinc/15/91/18/657159118.db2.gz HDPLSVXEJQOYOH-VQXHTEKXSA-N 1 2 296.371 -1.046 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)C2CCC(C(N)=O)CC2)C1 ZINC001015036908 657159121 /nfs/dbraw/zinc/15/91/21/657159121.db2.gz HDPLSVXEJQOYOH-VQXHTEKXSA-N 1 2 296.371 -1.046 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)CN2CCCCC2=O)C1 ZINC001015074741 657160728 /nfs/dbraw/zinc/16/07/28/657160728.db2.gz SXKMPVKEQJIPLE-NSHDSACASA-N 1 2 296.371 -1.065 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)CN2CCCCC2=O)C1 ZINC001015074741 657160738 /nfs/dbraw/zinc/16/07/38/657160738.db2.gz SXKMPVKEQJIPLE-NSHDSACASA-N 1 2 296.371 -1.065 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CN2CCCCC2=O)C1 ZINC001015074740 657161369 /nfs/dbraw/zinc/16/13/69/657161369.db2.gz SXKMPVKEQJIPLE-LLVKDONJSA-N 1 2 296.371 -1.065 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)CN2CCCCC2=O)C1 ZINC001015074740 657161373 /nfs/dbraw/zinc/16/13/73/657161373.db2.gz SXKMPVKEQJIPLE-LLVKDONJSA-N 1 2 296.371 -1.065 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)CN2CCCNC2=O)C1 ZINC001015082803 657162296 /nfs/dbraw/zinc/16/22/96/657162296.db2.gz WZLDLDNEYWHTCA-SECBINFHSA-N 1 2 283.332 -1.923 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)CN2CCCNC2=O)C1 ZINC001015082803 657162302 /nfs/dbraw/zinc/16/23/02/657162302.db2.gz WZLDLDNEYWHTCA-SECBINFHSA-N 1 2 283.332 -1.923 20 0 CAADLO Cn1cc(C(N)=O)cc1C(=O)N[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001015129483 657163487 /nfs/dbraw/zinc/16/34/87/657163487.db2.gz WFNATDPAJLRTBU-SECBINFHSA-N 1 2 293.327 -1.587 20 0 CAADLO Cn1cc(C(N)=O)cc1C(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001015129483 657163499 /nfs/dbraw/zinc/16/34/99/657163499.db2.gz WFNATDPAJLRTBU-SECBINFHSA-N 1 2 293.327 -1.587 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCN(C(N)=O)C2)C1 ZINC001015167458 657163678 /nfs/dbraw/zinc/16/36/78/657163678.db2.gz XKOOOJIDGVLUKI-ZJUUUORDSA-N 1 2 297.359 -1.547 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCN(C(N)=O)C2)C1 ZINC001015167458 657163683 /nfs/dbraw/zinc/16/36/83/657163683.db2.gz XKOOOJIDGVLUKI-ZJUUUORDSA-N 1 2 297.359 -1.547 20 0 CAADLO C[C@H]1[C@H](NC(=O)Cc2[nH]cc[nH+]2)CCCN1C(=O)C(N)=O ZINC001015174981 657163782 /nfs/dbraw/zinc/16/37/82/657163782.db2.gz OGFVCEYIOQBAMW-DTWKUNHWSA-N 1 2 293.327 -1.067 20 0 CAADLO O=C(C[C@H]1CCS(=O)(=O)C1)N[C@@H]1CC[N@@H+](CCO)C1 ZINC001015161561 657164037 /nfs/dbraw/zinc/16/40/37/657164037.db2.gz PDULMZQRTJVZFW-GHMZBOCLSA-N 1 2 290.385 -1.006 20 0 CAADLO O=C(C[C@H]1CCS(=O)(=O)C1)N[C@@H]1CC[N@H+](CCO)C1 ZINC001015161561 657164042 /nfs/dbraw/zinc/16/40/42/657164042.db2.gz PDULMZQRTJVZFW-GHMZBOCLSA-N 1 2 290.385 -1.006 20 0 CAADLO C[C@@H]1[C@@H](NC(=O)Cc2[nH]cc[nH+]2)CCCN1C(=O)C(N)=O ZINC001015174979 657164093 /nfs/dbraw/zinc/16/40/93/657164093.db2.gz OGFVCEYIOQBAMW-BDAKNGLRSA-N 1 2 293.327 -1.067 20 0 CAADLO CC(=O)N1CCC[C@@H](C(=O)N[C@@H]2CC[N@H+](CC(N)=O)C2)C1 ZINC001015166955 657164400 /nfs/dbraw/zinc/16/44/00/657164400.db2.gz NEADHCRTBSUBTI-VXGBXAGGSA-N 1 2 296.371 -1.079 20 0 CAADLO CC(=O)N1CCC[C@@H](C(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C2)C1 ZINC001015166955 657164411 /nfs/dbraw/zinc/16/44/11/657164411.db2.gz NEADHCRTBSUBTI-VXGBXAGGSA-N 1 2 296.371 -1.079 20 0 CAADLO O=C(C[C@H]1CCS(=O)(=O)C1)N[C@H]1CC[N@@H+](CCO)C1 ZINC001015161562 657164441 /nfs/dbraw/zinc/16/44/41/657164441.db2.gz PDULMZQRTJVZFW-MNOVXSKESA-N 1 2 290.385 -1.006 20 0 CAADLO O=C(C[C@H]1CCS(=O)(=O)C1)N[C@H]1CC[N@H+](CCO)C1 ZINC001015161562 657164443 /nfs/dbraw/zinc/16/44/43/657164443.db2.gz PDULMZQRTJVZFW-MNOVXSKESA-N 1 2 290.385 -1.006 20 0 CAADLO C[C@@H]1[C@H](NC(=O)C(N)=O)CCCN1C(=O)Cn1cc[nH+]c1 ZINC001015186898 657165395 /nfs/dbraw/zinc/16/53/95/657165395.db2.gz BHGQMEIJZRXLNV-NXEZZACHSA-N 1 2 293.327 -1.136 20 0 CAADLO CCn1cc(CC(=O)N[C@@H]2CC[N@H+](CC(=O)NC)C2)nn1 ZINC001015358796 657165646 /nfs/dbraw/zinc/16/56/46/657165646.db2.gz YUBAEYAWKGTFRT-SNVBAGLBSA-N 1 2 294.359 -1.223 20 0 CAADLO CCn1cc(CC(=O)N[C@@H]2CC[N@@H+](CC(=O)NC)C2)nn1 ZINC001015358796 657165655 /nfs/dbraw/zinc/16/56/55/657165655.db2.gz YUBAEYAWKGTFRT-SNVBAGLBSA-N 1 2 294.359 -1.223 20 0 CAADLO C[C@@H]1[C@H](NC(=O)C(N)=O)CCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001015196947 657165733 /nfs/dbraw/zinc/16/57/33/657165733.db2.gz XRNHLIWGCVUZSP-PSASIEDQSA-N 1 2 293.327 -1.067 20 0 CAADLO C[C@H]1[C@@H](NC(=O)C(N)=O)CCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001015196950 657165943 /nfs/dbraw/zinc/16/59/43/657165943.db2.gz XRNHLIWGCVUZSP-WPRPVWTQSA-N 1 2 293.327 -1.067 20 0 CAADLO Cc1cc(CC(=O)N[C@H]2CC[N@H+](CC(N)=O)C2)n(C)n1 ZINC001015256368 657166003 /nfs/dbraw/zinc/16/60/03/657166003.db2.gz FMVMAOVHDIKBKS-JTQLQIEISA-N 1 2 279.344 -1.053 20 0 CAADLO Cc1cc(CC(=O)N[C@H]2CC[N@@H+](CC(N)=O)C2)n(C)n1 ZINC001015256368 657166007 /nfs/dbraw/zinc/16/60/07/657166007.db2.gz FMVMAOVHDIKBKS-JTQLQIEISA-N 1 2 279.344 -1.053 20 0 CAADLO Cn1cc(C(=O)N[C@H]2CC[N@H+](CC(N)=O)C2)ncc1=O ZINC001015330769 657166051 /nfs/dbraw/zinc/16/60/51/657166051.db2.gz UYEUOZORQJFJNK-QMMMGPOBSA-N 1 2 279.300 -1.930 20 0 CAADLO Cn1cc(C(=O)N[C@H]2CC[N@@H+](CC(N)=O)C2)ncc1=O ZINC001015330769 657166055 /nfs/dbraw/zinc/16/60/55/657166055.db2.gz UYEUOZORQJFJNK-QMMMGPOBSA-N 1 2 279.300 -1.930 20 0 CAADLO CCn1cc(CC(=O)N[C@H]2CC[N@H+](CC(=O)NC)C2)nn1 ZINC001015358795 657166176 /nfs/dbraw/zinc/16/61/76/657166176.db2.gz YUBAEYAWKGTFRT-JTQLQIEISA-N 1 2 294.359 -1.223 20 0 CAADLO CCn1cc(CC(=O)N[C@H]2CC[N@@H+](CC(=O)NC)C2)nn1 ZINC001015358795 657166180 /nfs/dbraw/zinc/16/61/80/657166180.db2.gz YUBAEYAWKGTFRT-JTQLQIEISA-N 1 2 294.359 -1.223 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)C[C@H]2CCCC(=O)N2)C1 ZINC001015196054 657166190 /nfs/dbraw/zinc/16/61/90/657166190.db2.gz SCCUJRQXDYAUJV-ZJUUUORDSA-N 1 2 282.344 -1.279 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)C[C@H]2CCCC(=O)N2)C1 ZINC001015196054 657166192 /nfs/dbraw/zinc/16/61/92/657166192.db2.gz SCCUJRQXDYAUJV-ZJUUUORDSA-N 1 2 282.344 -1.279 20 0 CAADLO CCn1cc(CC(=O)N[C@H]2CC[N@H+](CC(N)=O)C2)nn1 ZINC001015355759 657166402 /nfs/dbraw/zinc/16/64/02/657166402.db2.gz GZUAARDGSUHUKM-VIFPVBQESA-N 1 2 280.332 -1.484 20 0 CAADLO CCn1cc(CC(=O)N[C@H]2CC[N@@H+](CC(N)=O)C2)nn1 ZINC001015355759 657166408 /nfs/dbraw/zinc/16/64/08/657166408.db2.gz GZUAARDGSUHUKM-VIFPVBQESA-N 1 2 280.332 -1.484 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)C[C@@H]2CCCC(=O)N2)C1 ZINC001015196052 657166706 /nfs/dbraw/zinc/16/67/06/657166706.db2.gz SCCUJRQXDYAUJV-VHSXEESVSA-N 1 2 282.344 -1.279 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)C[C@@H]2CCCC(=O)N2)C1 ZINC001015196052 657166707 /nfs/dbraw/zinc/16/67/07/657166707.db2.gz SCCUJRQXDYAUJV-VHSXEESVSA-N 1 2 282.344 -1.279 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCNC(=O)CC2)C1 ZINC001015405003 657167477 /nfs/dbraw/zinc/16/74/77/657167477.db2.gz UGLUJODJIKEURC-NXEZZACHSA-N 1 2 282.344 -1.422 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CCNC(=O)CC2)C1 ZINC001015405003 657167479 /nfs/dbraw/zinc/16/74/79/657167479.db2.gz UGLUJODJIKEURC-NXEZZACHSA-N 1 2 282.344 -1.422 20 0 CAADLO C[C@@]1(C(=O)N[C@H]2CC[N@H+](CC(N)=O)C2)CNC(=O)C1 ZINC001015376866 657167621 /nfs/dbraw/zinc/16/76/21/657167621.db2.gz PELPJDVNSPZUIB-UFBFGSQYSA-N 1 2 268.317 -1.812 20 0 CAADLO C[C@@]1(C(=O)N[C@H]2CC[N@@H+](CC(N)=O)C2)CNC(=O)C1 ZINC001015376866 657167625 /nfs/dbraw/zinc/16/76/25/657167625.db2.gz PELPJDVNSPZUIB-UFBFGSQYSA-N 1 2 268.317 -1.812 20 0 CAADLO Cc1nn[nH]c1C(=O)N[C@@H]1CC[N@@H+]([C@@H](C)C(N)=O)C1 ZINC001015480170 657167839 /nfs/dbraw/zinc/16/78/39/657167839.db2.gz SDCBOOCFIAVJPS-JGVFFNPUSA-N 1 2 266.305 -1.209 20 0 CAADLO Cc1nn[nH]c1C(=O)N[C@@H]1CC[N@H+]([C@@H](C)C(N)=O)C1 ZINC001015480170 657167843 /nfs/dbraw/zinc/16/78/43/657167843.db2.gz SDCBOOCFIAVJPS-JGVFFNPUSA-N 1 2 266.305 -1.209 20 0 CAADLO C[C@]1(C(=O)N[C@H]2CC[N@H+](CC(N)=O)C2)CNC(=O)C1 ZINC001015376863 657168127 /nfs/dbraw/zinc/16/81/27/657168127.db2.gz PELPJDVNSPZUIB-QPUJVOFHSA-N 1 2 268.317 -1.812 20 0 CAADLO C[C@]1(C(=O)N[C@H]2CC[N@@H+](CC(N)=O)C2)CNC(=O)C1 ZINC001015376863 657168132 /nfs/dbraw/zinc/16/81/32/657168132.db2.gz PELPJDVNSPZUIB-QPUJVOFHSA-N 1 2 268.317 -1.812 20 0 CAADLO Cc1nn[nH]c1C(=O)N[C@H]1CC[N@@H+]([C@@H](C)C(N)=O)C1 ZINC001015480172 657168224 /nfs/dbraw/zinc/16/82/24/657168224.db2.gz SDCBOOCFIAVJPS-YUMQZZPRSA-N 1 2 266.305 -1.209 20 0 CAADLO Cc1nn[nH]c1C(=O)N[C@H]1CC[N@H+]([C@@H](C)C(N)=O)C1 ZINC001015480172 657168225 /nfs/dbraw/zinc/16/82/25/657168225.db2.gz SDCBOOCFIAVJPS-YUMQZZPRSA-N 1 2 266.305 -1.209 20 0 CAADLO CN1C(=O)CC[C@@H]1CC(=O)N[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001015492205 657168411 /nfs/dbraw/zinc/16/84/11/657168411.db2.gz GOBMOWJOUYJIDM-VHSXEESVSA-N 1 2 282.344 -1.327 20 0 CAADLO CN1C(=O)CC[C@@H]1CC(=O)N[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001015492205 657168415 /nfs/dbraw/zinc/16/84/15/657168415.db2.gz GOBMOWJOUYJIDM-VHSXEESVSA-N 1 2 282.344 -1.327 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@@]2(C)CNC(=O)C2)C1 ZINC001015379745 657168479 /nfs/dbraw/zinc/16/84/79/657168479.db2.gz XUJWCWBOCWHNEF-NOZJJQNGSA-N 1 2 282.344 -1.551 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@@]2(C)CNC(=O)C2)C1 ZINC001015379745 657168486 /nfs/dbraw/zinc/16/84/86/657168486.db2.gz XUJWCWBOCWHNEF-NOZJJQNGSA-N 1 2 282.344 -1.551 20 0 CAADLO Cc1nn[nH]c1C(=O)N[C@H]1CC[N@@H+]([C@H](C)C(N)=O)C1 ZINC001015480171 657168582 /nfs/dbraw/zinc/16/85/82/657168582.db2.gz SDCBOOCFIAVJPS-SFYZADRCSA-N 1 2 266.305 -1.209 20 0 CAADLO Cc1nn[nH]c1C(=O)N[C@H]1CC[N@H+]([C@H](C)C(N)=O)C1 ZINC001015480171 657168586 /nfs/dbraw/zinc/16/85/86/657168586.db2.gz SDCBOOCFIAVJPS-SFYZADRCSA-N 1 2 266.305 -1.209 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@]2(C)CNC(=O)C2)C1 ZINC001015379756 657168597 /nfs/dbraw/zinc/16/85/97/657168597.db2.gz XUJWCWBOCWHNEF-TVQRCGJNSA-N 1 2 282.344 -1.551 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@]2(C)CNC(=O)C2)C1 ZINC001015379756 657168603 /nfs/dbraw/zinc/16/86/03/657168603.db2.gz XUJWCWBOCWHNEF-TVQRCGJNSA-N 1 2 282.344 -1.551 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@]2(C)CNC(=O)C2)C1 ZINC001015379751 657168700 /nfs/dbraw/zinc/16/87/00/657168700.db2.gz XUJWCWBOCWHNEF-RNCFNFMXSA-N 1 2 282.344 -1.551 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@]2(C)CNC(=O)C2)C1 ZINC001015379751 657168701 /nfs/dbraw/zinc/16/87/01/657168701.db2.gz XUJWCWBOCWHNEF-RNCFNFMXSA-N 1 2 282.344 -1.551 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCNC(=O)CC2)C1 ZINC001015405012 657168780 /nfs/dbraw/zinc/16/87/80/657168780.db2.gz UGLUJODJIKEURC-ZJUUUORDSA-N 1 2 282.344 -1.422 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCNC(=O)CC2)C1 ZINC001015405012 657168783 /nfs/dbraw/zinc/16/87/83/657168783.db2.gz UGLUJODJIKEURC-ZJUUUORDSA-N 1 2 282.344 -1.422 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2coc(C(N)=O)c2)C1 ZINC001015385964 657168793 /nfs/dbraw/zinc/16/87/93/657168793.db2.gz FXVBFBLQUUEAKN-VIFPVBQESA-N 1 2 294.311 -1.071 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)c2coc(C(N)=O)c2)C1 ZINC001015385964 657168797 /nfs/dbraw/zinc/16/87/97/657168797.db2.gz FXVBFBLQUUEAKN-VIFPVBQESA-N 1 2 294.311 -1.071 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC001015513148 657169611 /nfs/dbraw/zinc/16/96/11/657169611.db2.gz AWRJSVDOBWAOCW-RKDXNWHRSA-N 1 2 283.332 -2.054 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC001015513148 657169614 /nfs/dbraw/zinc/16/96/14/657169614.db2.gz AWRJSVDOBWAOCW-RKDXNWHRSA-N 1 2 283.332 -2.054 20 0 CAADLO CN1C[C@@H](C(=O)N[C@H]2CC[N@H+](CC(N)=O)C2)NC1=O ZINC001015515517 657171014 /nfs/dbraw/zinc/17/10/14/657171014.db2.gz WQRAJYYJNJMYEF-YUMQZZPRSA-N 1 2 269.305 -2.314 20 0 CAADLO CN1C[C@@H](C(=O)N[C@H]2CC[N@@H+](CC(N)=O)C2)NC1=O ZINC001015515517 657171019 /nfs/dbraw/zinc/17/10/19/657171019.db2.gz WQRAJYYJNJMYEF-YUMQZZPRSA-N 1 2 269.305 -2.314 20 0 CAADLO Cn1nnc(C(=O)N[C@H]2CC[N@@H+]([C@H]3CCCNC3=O)C2)n1 ZINC001015554318 657172143 /nfs/dbraw/zinc/17/21/43/657172143.db2.gz MFXZRVOHQCENQP-IUCAKERBSA-N 1 2 293.331 -1.707 20 0 CAADLO Cn1nnc(C(=O)N[C@H]2CC[N@H+]([C@H]3CCCNC3=O)C2)n1 ZINC001015554318 657172148 /nfs/dbraw/zinc/17/21/48/657172148.db2.gz MFXZRVOHQCENQP-IUCAKERBSA-N 1 2 293.331 -1.707 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)c2nnn(C)n2)C1 ZINC001015550940 657172173 /nfs/dbraw/zinc/17/21/73/657172173.db2.gz GZKSTAQAQVGCQK-RNFRBKRXSA-N 1 2 267.293 -2.112 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)c2nnn(C)n2)C1 ZINC001015550940 657172177 /nfs/dbraw/zinc/17/21/77/657172177.db2.gz GZKSTAQAQVGCQK-RNFRBKRXSA-N 1 2 267.293 -2.112 20 0 CAADLO CC[C@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)c2nnn(C)n2)C1 ZINC001015553669 657172195 /nfs/dbraw/zinc/17/21/95/657172195.db2.gz IBRSVSRINBQUEZ-HTQZYQBOSA-N 1 2 281.320 -1.722 20 0 CAADLO CC[C@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)c2nnn(C)n2)C1 ZINC001015553669 657172200 /nfs/dbraw/zinc/17/22/00/657172200.db2.gz IBRSVSRINBQUEZ-HTQZYQBOSA-N 1 2 281.320 -1.722 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2nnn(C)n2)C1 ZINC001015551211 657172221 /nfs/dbraw/zinc/17/22/21/657172221.db2.gz UDSYKZFWQASSAA-SSDOTTSWSA-N 1 2 267.293 -2.240 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2nnn(C)n2)C1 ZINC001015551211 657172226 /nfs/dbraw/zinc/17/22/26/657172226.db2.gz UDSYKZFWQASSAA-SSDOTTSWSA-N 1 2 267.293 -2.240 20 0 CAADLO Cn1nnc(C(=O)N[C@H]2CC[N@H+](CC(=O)NC3CC3)C2)n1 ZINC001015552833 657172420 /nfs/dbraw/zinc/17/24/20/657172420.db2.gz GWPSMOFDLGWQME-VIFPVBQESA-N 1 2 293.331 -1.707 20 0 CAADLO Cn1nnc(C(=O)N[C@H]2CC[N@@H+](CC(=O)NC3CC3)C2)n1 ZINC001015552833 657172427 /nfs/dbraw/zinc/17/24/27/657172427.db2.gz GWPSMOFDLGWQME-VIFPVBQESA-N 1 2 293.331 -1.707 20 0 CAADLO CN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)c2nnn(C)n2)C1 ZINC001015554115 657172596 /nfs/dbraw/zinc/17/25/96/657172596.db2.gz LEHRPUFGGZNENR-QMMMGPOBSA-N 1 2 281.320 -1.898 20 0 CAADLO CN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)c2nnn(C)n2)C1 ZINC001015554115 657172604 /nfs/dbraw/zinc/17/26/04/657172604.db2.gz LEHRPUFGGZNENR-QMMMGPOBSA-N 1 2 281.320 -1.898 20 0 CAADLO Cn1nnc(C(=O)N[C@@H]2CC[N@H+](CC(=O)N3CCC3)C2)n1 ZINC001015549308 657173222 /nfs/dbraw/zinc/17/32/22/657173222.db2.gz PDLFNYLOPFWWFP-SECBINFHSA-N 1 2 293.331 -1.754 20 0 CAADLO Cn1nnc(C(=O)N[C@@H]2CC[N@@H+](CC(=O)N3CCC3)C2)n1 ZINC001015549308 657173228 /nfs/dbraw/zinc/17/32/28/657173228.db2.gz PDLFNYLOPFWWFP-SECBINFHSA-N 1 2 293.331 -1.754 20 0 CAADLO CC[C@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)c2nnn(C)n2)C1 ZINC001015553672 657173401 /nfs/dbraw/zinc/17/34/01/657173401.db2.gz IBRSVSRINBQUEZ-JGVFFNPUSA-N 1 2 281.320 -1.722 20 0 CAADLO CC[C@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)c2nnn(C)n2)C1 ZINC001015553672 657173407 /nfs/dbraw/zinc/17/34/07/657173407.db2.gz IBRSVSRINBQUEZ-JGVFFNPUSA-N 1 2 281.320 -1.722 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCN(C)C2=O)C1 ZINC001015550486 657173510 /nfs/dbraw/zinc/17/35/10/657173510.db2.gz SULOZBWUHKEOGI-NXEZZACHSA-N 1 2 282.344 -1.599 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CCN(C)C2=O)C1 ZINC001015550486 657173520 /nfs/dbraw/zinc/17/35/20/657173520.db2.gz SULOZBWUHKEOGI-NXEZZACHSA-N 1 2 282.344 -1.599 20 0 CAADLO CN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)c2nnn(C)n2)C1 ZINC001015554113 657173574 /nfs/dbraw/zinc/17/35/74/657173574.db2.gz LEHRPUFGGZNENR-MRVPVSSYSA-N 1 2 281.320 -1.898 20 0 CAADLO CN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)c2nnn(C)n2)C1 ZINC001015554113 657173581 /nfs/dbraw/zinc/17/35/81/657173581.db2.gz LEHRPUFGGZNENR-MRVPVSSYSA-N 1 2 281.320 -1.898 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)c2nnn(C)n2)C1 ZINC001015554392 657174170 /nfs/dbraw/zinc/17/41/70/657174170.db2.gz NTQUQHATPYDUEU-HTQZYQBOSA-N 1 2 281.320 -1.851 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+]1CC[C@@H](NC(=O)c2nnn(C)n2)C1 ZINC001015554392 657174193 /nfs/dbraw/zinc/17/41/93/657174193.db2.gz NTQUQHATPYDUEU-HTQZYQBOSA-N 1 2 281.320 -1.851 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@]2(C)CCC(=O)NC2)C1 ZINC001015592686 657174479 /nfs/dbraw/zinc/17/44/79/657174479.db2.gz NZWZRHPZRWVBGN-HZMBPMFUSA-N 1 2 296.371 -1.161 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@]2(C)CCC(=O)NC2)C1 ZINC001015592686 657174488 /nfs/dbraw/zinc/17/44/88/657174488.db2.gz NZWZRHPZRWVBGN-HZMBPMFUSA-N 1 2 296.371 -1.161 20 0 CAADLO Cn1nnc(C(=O)N[C@@H]2CC[N@@H+]([C@H]3CCNC3=O)C2)n1 ZINC001015554840 657175195 /nfs/dbraw/zinc/17/51/95/657175195.db2.gz QHEQJXSZGNWMNR-SFYZADRCSA-N 1 2 279.304 -2.097 20 0 CAADLO Cn1nnc(C(=O)N[C@@H]2CC[N@H+]([C@H]3CCNC3=O)C2)n1 ZINC001015554840 657175201 /nfs/dbraw/zinc/17/52/01/657175201.db2.gz QHEQJXSZGNWMNR-SFYZADRCSA-N 1 2 279.304 -2.097 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cc2cnoc2)C1 ZINC001015598536 657175284 /nfs/dbraw/zinc/17/52/84/657175284.db2.gz QTOIUSQRQNCDDG-SECBINFHSA-N 1 2 252.274 -1.107 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)Cc2cnoc2)C1 ZINC001015598536 657175287 /nfs/dbraw/zinc/17/52/87/657175287.db2.gz QTOIUSQRQNCDDG-SECBINFHSA-N 1 2 252.274 -1.107 20 0 CAADLO CN1C(=O)CC[C@@H]1C(=O)N[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001015602631 657175297 /nfs/dbraw/zinc/17/52/97/657175297.db2.gz WMVWSAORYRCBEC-DTWKUNHWSA-N 1 2 268.317 -1.717 20 0 CAADLO CN1C(=O)CC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001015602631 657175300 /nfs/dbraw/zinc/17/53/00/657175300.db2.gz WMVWSAORYRCBEC-DTWKUNHWSA-N 1 2 268.317 -1.717 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+]1CC[C@@H](NC(=O)c2nnn(C)n2)C1 ZINC001015554393 657175665 /nfs/dbraw/zinc/17/56/65/657175665.db2.gz NTQUQHATPYDUEU-JGVFFNPUSA-N 1 2 281.320 -1.851 20 0 CAADLO CNC(=O)[C@H](C)[N@H+]1CC[C@@H](NC(=O)c2nnn(C)n2)C1 ZINC001015554393 657175671 /nfs/dbraw/zinc/17/56/71/657175671.db2.gz NTQUQHATPYDUEU-JGVFFNPUSA-N 1 2 281.320 -1.851 20 0 CAADLO C[C@@]1(C(=O)N[C@H]2CC[N@H+](CC(N)=O)C2)CCC(=O)NC1 ZINC001015593166 657175790 /nfs/dbraw/zinc/17/57/90/657175790.db2.gz UXKHEAZLMYVEIA-TVQRCGJNSA-N 1 2 282.344 -1.422 20 0 CAADLO C[C@@]1(C(=O)N[C@H]2CC[N@@H+](CC(N)=O)C2)CCC(=O)NC1 ZINC001015593166 657175794 /nfs/dbraw/zinc/17/57/94/657175794.db2.gz UXKHEAZLMYVEIA-TVQRCGJNSA-N 1 2 282.344 -1.422 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2c[nH]c(=O)cn2)C1 ZINC001015623434 657176426 /nfs/dbraw/zinc/17/64/26/657176426.db2.gz UMUVBKSVAWAISG-QMMMGPOBSA-N 1 2 279.300 -1.680 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)c2c[nH]c(=O)cn2)C1 ZINC001015623434 657176432 /nfs/dbraw/zinc/17/64/32/657176432.db2.gz UMUVBKSVAWAISG-QMMMGPOBSA-N 1 2 279.300 -1.680 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001015634341 657177170 /nfs/dbraw/zinc/17/71/70/657177170.db2.gz LPNVPRZUMNLJQU-JGVFFNPUSA-N 1 2 269.305 -2.396 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001015634341 657177173 /nfs/dbraw/zinc/17/71/73/657177173.db2.gz LPNVPRZUMNLJQU-JGVFFNPUSA-N 1 2 269.305 -2.396 20 0 CAADLO NC(=O)C(=O)N[C@@H]1CC[N@H+](CC(=O)NC2CC2)C1 ZINC001015637297 657177208 /nfs/dbraw/zinc/17/72/08/657177208.db2.gz LMPILKGOCFPMPF-MRVPVSSYSA-N 1 2 254.290 -2.059 20 0 CAADLO NC(=O)C(=O)N[C@@H]1CC[N@@H+](CC(=O)NC2CC2)C1 ZINC001015637297 657177213 /nfs/dbraw/zinc/17/72/13/657177213.db2.gz LMPILKGOCFPMPF-MRVPVSSYSA-N 1 2 254.290 -2.059 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001015634343 657177855 /nfs/dbraw/zinc/17/78/55/657177855.db2.gz LPNVPRZUMNLJQU-YUMQZZPRSA-N 1 2 269.305 -2.396 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001015634343 657177858 /nfs/dbraw/zinc/17/78/58/657177858.db2.gz LPNVPRZUMNLJQU-YUMQZZPRSA-N 1 2 269.305 -2.396 20 0 CAADLO O=C(C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CNC(=O)N2)C1)NC1CC1 ZINC001015634764 657177980 /nfs/dbraw/zinc/17/79/80/657177980.db2.gz NOSNDVSLXIVJAR-NXEZZACHSA-N 1 2 295.343 -1.863 20 0 CAADLO O=C(C[N@H+]1CC[C@@H](NC(=O)[C@H]2CNC(=O)N2)C1)NC1CC1 ZINC001015634764 657177988 /nfs/dbraw/zinc/17/79/88/657177988.db2.gz NOSNDVSLXIVJAR-NXEZZACHSA-N 1 2 295.343 -1.863 20 0 CAADLO Cn1nccc1C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001015633779 657178038 /nfs/dbraw/zinc/17/80/38/657178038.db2.gz IRNBFDDLPLHGOE-MWLCHTKSSA-N 1 2 292.343 -1.208 20 0 CAADLO Cn1nccc1C[N@H+]1CC[C@@H](NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001015633779 657178050 /nfs/dbraw/zinc/17/80/50/657178050.db2.gz IRNBFDDLPLHGOE-MWLCHTKSSA-N 1 2 292.343 -1.208 20 0 CAADLO Cn1ccc(C[N@@H+]2CC[C@H](NC(=O)[C@H]3CNC(=O)N3)C2)n1 ZINC001015635025 657178876 /nfs/dbraw/zinc/17/88/76/657178876.db2.gz PQENVMQONSGFJN-GXSJLCMTSA-N 1 2 292.343 -1.208 20 0 CAADLO Cn1ccc(C[N@H+]2CC[C@H](NC(=O)[C@H]3CNC(=O)N3)C2)n1 ZINC001015635025 657178885 /nfs/dbraw/zinc/17/88/85/657178885.db2.gz PQENVMQONSGFJN-GXSJLCMTSA-N 1 2 292.343 -1.208 20 0 CAADLO NC(=O)C(=O)N[C@@H]1CC[N@H+](C[C@H]2CCS(=O)(=O)C2)C1 ZINC001015640816 657180692 /nfs/dbraw/zinc/18/06/92/657180692.db2.gz RHXXHGCZOOSSJL-RKDXNWHRSA-N 1 2 289.357 -1.903 20 0 CAADLO NC(=O)C(=O)N[C@@H]1CC[N@@H+](C[C@H]2CCS(=O)(=O)C2)C1 ZINC001015640816 657180700 /nfs/dbraw/zinc/18/07/00/657180700.db2.gz RHXXHGCZOOSSJL-RKDXNWHRSA-N 1 2 289.357 -1.903 20 0 CAADLO CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)C(N)=O)C2)C1=O ZINC001015640774 657181077 /nfs/dbraw/zinc/18/10/77/657181077.db2.gz QPYDYZPZYBQEGH-DTWKUNHWSA-N 1 2 268.317 -1.717 20 0 CAADLO CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)C(N)=O)C2)C1=O ZINC001015640774 657181081 /nfs/dbraw/zinc/18/10/81/657181081.db2.gz QPYDYZPZYBQEGH-DTWKUNHWSA-N 1 2 268.317 -1.717 20 0 CAADLO NC(=O)C(=O)N[C@H]1CC[N@H+](C[C@@H]2CCS(=O)(=O)C2)C1 ZINC001015640815 657181111 /nfs/dbraw/zinc/18/11/11/657181111.db2.gz RHXXHGCZOOSSJL-IUCAKERBSA-N 1 2 289.357 -1.903 20 0 CAADLO NC(=O)C(=O)N[C@H]1CC[N@@H+](C[C@@H]2CCS(=O)(=O)C2)C1 ZINC001015640815 657181118 /nfs/dbraw/zinc/18/11/18/657181118.db2.gz RHXXHGCZOOSSJL-IUCAKERBSA-N 1 2 289.357 -1.903 20 0 CAADLO CCN1CC[C@H]([N@@H+]2CC[C@@H](NC(=O)C(N)=O)C2)C1=O ZINC001015640773 657181446 /nfs/dbraw/zinc/18/14/46/657181446.db2.gz QPYDYZPZYBQEGH-BDAKNGLRSA-N 1 2 268.317 -1.717 20 0 CAADLO CCN1CC[C@H]([N@H+]2CC[C@@H](NC(=O)C(N)=O)C2)C1=O ZINC001015640773 657181450 /nfs/dbraw/zinc/18/14/50/657181450.db2.gz QPYDYZPZYBQEGH-BDAKNGLRSA-N 1 2 268.317 -1.717 20 0 CAADLO CCN1CC[C@@H]([N@@H+]2CC[C@@H](NC(=O)C(N)=O)C2)C1=O ZINC001015640776 657181714 /nfs/dbraw/zinc/18/17/14/657181714.db2.gz QPYDYZPZYBQEGH-RKDXNWHRSA-N 1 2 268.317 -1.717 20 0 CAADLO CCN1CC[C@@H]([N@H+]2CC[C@@H](NC(=O)C(N)=O)C2)C1=O ZINC001015640776 657181718 /nfs/dbraw/zinc/18/17/18/657181718.db2.gz QPYDYZPZYBQEGH-RKDXNWHRSA-N 1 2 268.317 -1.717 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cn(C)c(=O)[nH]2)C1 ZINC001015657423 657182764 /nfs/dbraw/zinc/18/27/64/657182764.db2.gz OVRMPHSDRDRFPV-MRVPVSSYSA-N 1 2 281.316 -1.324 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cn(C)c(=O)[nH]2)C1 ZINC001015657423 657182767 /nfs/dbraw/zinc/18/27/67/657182767.db2.gz OVRMPHSDRDRFPV-MRVPVSSYSA-N 1 2 281.316 -1.324 20 0 CAADLO NC(=O)C(=O)N[C@@H]1CC[N@@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001015641132 657183064 /nfs/dbraw/zinc/18/30/64/657183064.db2.gz ZBFBVIPKTBLZTN-RQJHMYQMSA-N 1 2 268.273 -2.533 20 0 CAADLO NC(=O)C(=O)N[C@@H]1CC[N@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001015641132 657183069 /nfs/dbraw/zinc/18/30/69/657183069.db2.gz ZBFBVIPKTBLZTN-RQJHMYQMSA-N 1 2 268.273 -2.533 20 0 CAADLO C[C@@]1(C(=O)N[C@H]2CC[N@H+](CC(N)=O)C2)CCC(=O)N1 ZINC001015661755 657183186 /nfs/dbraw/zinc/18/31/86/657183186.db2.gz GOFWILUVIVJQHS-UFBFGSQYSA-N 1 2 268.317 -1.669 20 0 CAADLO C[C@@]1(C(=O)N[C@H]2CC[N@@H+](CC(N)=O)C2)CCC(=O)N1 ZINC001015661755 657183194 /nfs/dbraw/zinc/18/31/94/657183194.db2.gz GOFWILUVIVJQHS-UFBFGSQYSA-N 1 2 268.317 -1.669 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001015696196 657183321 /nfs/dbraw/zinc/18/33/21/657183321.db2.gz WQCPIRSPNNSRPD-KXUCPTDWSA-N 1 2 298.343 -2.044 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001015696196 657183326 /nfs/dbraw/zinc/18/33/26/657183326.db2.gz WQCPIRSPNNSRPD-KXUCPTDWSA-N 1 2 298.343 -2.044 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCCC(=O)N2)C1 ZINC001015688070 657183460 /nfs/dbraw/zinc/18/34/60/657183460.db2.gz VPJWECRMQAQINV-UWVGGRQHSA-N 1 2 282.344 -1.279 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCCC(=O)N2)C1 ZINC001015688070 657183466 /nfs/dbraw/zinc/18/34/66/657183466.db2.gz VPJWECRMQAQINV-UWVGGRQHSA-N 1 2 282.344 -1.279 20 0 CAADLO C[C@]1(C(=O)N[C@H]2CC[N@H+](CC(N)=O)C2)CCNC1=O ZINC001015695774 657183618 /nfs/dbraw/zinc/18/36/18/657183618.db2.gz OWMLPSLGRRGXPZ-UFBFGSQYSA-N 1 2 268.317 -1.812 20 0 CAADLO C[C@]1(C(=O)N[C@H]2CC[N@@H+](CC(N)=O)C2)CCNC1=O ZINC001015695774 657183622 /nfs/dbraw/zinc/18/36/22/657183622.db2.gz OWMLPSLGRRGXPZ-UFBFGSQYSA-N 1 2 268.317 -1.812 20 0 CAADLO Cn1c(C(=O)N[C@H]2CC[N@H+](CC(N)=O)C2)cccc1=O ZINC001015681077 657183927 /nfs/dbraw/zinc/18/39/27/657183927.db2.gz FQPRMWNQFQKUMC-VIFPVBQESA-N 1 2 278.312 -1.325 20 0 CAADLO Cn1c(C(=O)N[C@H]2CC[N@@H+](CC(N)=O)C2)cccc1=O ZINC001015681077 657183936 /nfs/dbraw/zinc/18/39/36/657183936.db2.gz FQPRMWNQFQKUMC-VIFPVBQESA-N 1 2 278.312 -1.325 20 0 CAADLO C[C@]1(C(=O)N[C@@H]2CC[N@H+](CC(N)=O)C2)CCNC1=O ZINC001015695771 657183979 /nfs/dbraw/zinc/18/39/79/657183979.db2.gz OWMLPSLGRRGXPZ-PELKAZGASA-N 1 2 268.317 -1.812 20 0 CAADLO C[C@]1(C(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C2)CCNC1=O ZINC001015695771 657183986 /nfs/dbraw/zinc/18/39/86/657183986.db2.gz OWMLPSLGRRGXPZ-PELKAZGASA-N 1 2 268.317 -1.812 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@]2(C)CCC(=O)N2)C1 ZINC001015663880 657184538 /nfs/dbraw/zinc/18/45/38/657184538.db2.gz YJGCNCWNSIQZTJ-RNCFNFMXSA-N 1 2 282.344 -1.408 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@]2(C)CCC(=O)N2)C1 ZINC001015663880 657184542 /nfs/dbraw/zinc/18/45/42/657184542.db2.gz YJGCNCWNSIQZTJ-RNCFNFMXSA-N 1 2 282.344 -1.408 20 0 CAADLO CN1CC[C@H]([N@@H+]2CC[C@@H](NC(=O)C(N)=O)C2)C1=O ZINC001015641499 657184573 /nfs/dbraw/zinc/18/45/73/657184573.db2.gz KEGOXOJLOJACBJ-SFYZADRCSA-N 1 2 254.290 -2.107 20 0 CAADLO CN1CC[C@H]([N@H+]2CC[C@@H](NC(=O)C(N)=O)C2)C1=O ZINC001015641499 657184582 /nfs/dbraw/zinc/18/45/82/657184582.db2.gz KEGOXOJLOJACBJ-SFYZADRCSA-N 1 2 254.290 -2.107 20 0 CAADLO C[C@@]1(C(=O)N[C@@H]2CC[N@H+](CC(N)=O)C2)CCNC1=O ZINC001015695772 657184877 /nfs/dbraw/zinc/18/48/77/657184877.db2.gz OWMLPSLGRRGXPZ-PRHODGIISA-N 1 2 268.317 -1.812 20 0 CAADLO C[C@@]1(C(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C2)CCNC1=O ZINC001015695772 657184884 /nfs/dbraw/zinc/18/48/84/657184884.db2.gz OWMLPSLGRRGXPZ-PRHODGIISA-N 1 2 268.317 -1.812 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)c2ccc(C(N)=O)[nH]2)C1 ZINC001015711238 657185690 /nfs/dbraw/zinc/18/56/90/657185690.db2.gz AMXMNTDVOVSXOZ-JGVFFNPUSA-N 1 2 293.327 -1.209 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)c2ccc(C(N)=O)[nH]2)C1 ZINC001015711238 657185696 /nfs/dbraw/zinc/18/56/96/657185696.db2.gz AMXMNTDVOVSXOZ-JGVFFNPUSA-N 1 2 293.327 -1.209 20 0 CAADLO O=C(N[C@@H]1CC[N@@H+](CCO)C1)C1CCS(=O)(=O)CC1 ZINC001015787596 657185844 /nfs/dbraw/zinc/18/58/44/657185844.db2.gz YOZBEJOKRPTVHV-LLVKDONJSA-N 1 2 290.385 -1.006 20 0 CAADLO O=C(N[C@@H]1CC[N@H+](CCO)C1)C1CCS(=O)(=O)CC1 ZINC001015787596 657185853 /nfs/dbraw/zinc/18/58/53/657185853.db2.gz YOZBEJOKRPTVHV-LLVKDONJSA-N 1 2 290.385 -1.006 20 0 CAADLO Cc1ccn(CC(=O)N[C@@H]2CC[N@H+](CC(N)=O)C2)n1 ZINC001015718143 657185917 /nfs/dbraw/zinc/18/59/17/657185917.db2.gz ICRBCGLQHWRPLX-SNVBAGLBSA-N 1 2 265.317 -1.133 20 0 CAADLO Cc1ccn(CC(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C2)n1 ZINC001015718143 657185922 /nfs/dbraw/zinc/18/59/22/657185922.db2.gz ICRBCGLQHWRPLX-SNVBAGLBSA-N 1 2 265.317 -1.133 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)C2)C1 ZINC001015716430 657185944 /nfs/dbraw/zinc/18/59/44/657185944.db2.gz UVGGPULUJJWEJQ-OUAUKWLOSA-N 1 2 296.371 -1.176 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)C2)C1 ZINC001015716430 657185953 /nfs/dbraw/zinc/18/59/53/657185953.db2.gz UVGGPULUJJWEJQ-OUAUKWLOSA-N 1 2 296.371 -1.176 20 0 CAADLO O=C(N[C@@H]1CC[N@@H+](CCO)C1)[C@@H]1CCCS(=O)(=O)C1 ZINC001015786983 657186009 /nfs/dbraw/zinc/18/60/09/657186009.db2.gz RCVAMDXMNPNHNV-GHMZBOCLSA-N 1 2 290.385 -1.006 20 0 CAADLO O=C(N[C@@H]1CC[N@H+](CCO)C1)[C@@H]1CCCS(=O)(=O)C1 ZINC001015786983 657186019 /nfs/dbraw/zinc/18/60/19/657186019.db2.gz RCVAMDXMNPNHNV-GHMZBOCLSA-N 1 2 290.385 -1.006 20 0 CAADLO CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001015707345 657186088 /nfs/dbraw/zinc/18/60/88/657186088.db2.gz OVRXDYDFYYDTPK-KXUCPTDWSA-N 1 2 282.344 -1.614 20 0 CAADLO CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001015707345 657186100 /nfs/dbraw/zinc/18/61/00/657186100.db2.gz OVRXDYDFYYDTPK-KXUCPTDWSA-N 1 2 282.344 -1.614 20 0 CAADLO O=C(N[C@@H]1CC[N@@H+](CCO)C1)[C@H]1CCCS(=O)(=O)C1 ZINC001015786989 657186128 /nfs/dbraw/zinc/18/61/28/657186128.db2.gz RCVAMDXMNPNHNV-WDEREUQCSA-N 1 2 290.385 -1.006 20 0 CAADLO O=C(N[C@@H]1CC[N@H+](CCO)C1)[C@H]1CCCS(=O)(=O)C1 ZINC001015786989 657186130 /nfs/dbraw/zinc/18/61/30/657186130.db2.gz RCVAMDXMNPNHNV-WDEREUQCSA-N 1 2 290.385 -1.006 20 0 CAADLO O=C(N[C@@H]1CC[N@@H+](CCF)C1)[C@@H]1CC(=O)NC(=O)N1 ZINC001015769276 657186156 /nfs/dbraw/zinc/18/61/56/657186156.db2.gz CFHGJGQOUBZNHK-SFYZADRCSA-N 1 2 272.280 -1.256 20 0 CAADLO O=C(N[C@@H]1CC[N@H+](CCF)C1)[C@@H]1CC(=O)NC(=O)N1 ZINC001015769276 657186163 /nfs/dbraw/zinc/18/61/63/657186163.db2.gz CFHGJGQOUBZNHK-SFYZADRCSA-N 1 2 272.280 -1.256 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001015711657 657186228 /nfs/dbraw/zinc/18/62/28/657186228.db2.gz NPBOTLNXFLZHQI-PRJMDXOYSA-N 1 2 254.290 -2.216 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001015711657 657186231 /nfs/dbraw/zinc/18/62/31/657186231.db2.gz NPBOTLNXFLZHQI-PRJMDXOYSA-N 1 2 254.290 -2.216 20 0 CAADLO Cn1nnc(CN2CC[C@H](NC(=O)Cc3c[nH]c[nH+]3)C2)n1 ZINC001015764761 657186590 /nfs/dbraw/zinc/18/65/90/657186590.db2.gz IBOFAFCUORAQMW-VIFPVBQESA-N 1 2 290.331 -1.134 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001015711658 657186625 /nfs/dbraw/zinc/18/66/25/657186625.db2.gz NPBOTLNXFLZHQI-RNJXMRFFSA-N 1 2 254.290 -2.216 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001015711658 657186627 /nfs/dbraw/zinc/18/66/27/657186627.db2.gz NPBOTLNXFLZHQI-RNJXMRFFSA-N 1 2 254.290 -2.216 20 0 CAADLO O=C(N[C@H]1CC[N@@H+](CCO)C1)[C@@H]1CCCS(=O)(=O)C1 ZINC001015786986 657187363 /nfs/dbraw/zinc/18/73/63/657187363.db2.gz RCVAMDXMNPNHNV-MNOVXSKESA-N 1 2 290.385 -1.006 20 0 CAADLO O=C(N[C@H]1CC[N@H+](CCO)C1)[C@@H]1CCCS(=O)(=O)C1 ZINC001015786986 657187367 /nfs/dbraw/zinc/18/73/67/657187367.db2.gz RCVAMDXMNPNHNV-MNOVXSKESA-N 1 2 290.385 -1.006 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)c2cnn(C)n2)C1 ZINC001015840719 657188322 /nfs/dbraw/zinc/18/83/22/657188322.db2.gz BOAIKQVKDJAQAB-HTQZYQBOSA-N 1 2 266.305 -1.507 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)c2cnn(C)n2)C1 ZINC001015840719 657188327 /nfs/dbraw/zinc/18/83/27/657188327.db2.gz BOAIKQVKDJAQAB-HTQZYQBOSA-N 1 2 266.305 -1.507 20 0 CAADLO Cn1ncc(C(=O)N[C@H]2CC[N@@H+]([C@H]3CCN(C)C3=O)C2)n1 ZINC001015841409 657188452 /nfs/dbraw/zinc/18/84/52/657188452.db2.gz FWXGQXDLSIOGGQ-ONGXEEELSA-N 1 2 292.343 -1.150 20 0 CAADLO Cn1ncc(C(=O)N[C@H]2CC[N@H+]([C@H]3CCN(C)C3=O)C2)n1 ZINC001015841409 657188459 /nfs/dbraw/zinc/18/84/59/657188459.db2.gz FWXGQXDLSIOGGQ-ONGXEEELSA-N 1 2 292.343 -1.150 20 0 CAADLO CC(C)(C(=O)N[C@H]1CC[N@H+](CC(N)=O)C1)N1CCOCC1 ZINC001015855953 657189876 /nfs/dbraw/zinc/18/98/76/657189876.db2.gz PURMBIMOOHPCAA-NSHDSACASA-N 1 2 298.387 -1.227 20 0 CAADLO CC(C)(C(=O)N[C@H]1CC[N@@H+](CC(N)=O)C1)N1CCOCC1 ZINC001015855953 657189885 /nfs/dbraw/zinc/18/98/85/657189885.db2.gz PURMBIMOOHPCAA-NSHDSACASA-N 1 2 298.387 -1.227 20 0 CAADLO Cn1ncc(C(=O)N[C@H]2CC[N@@H+]([C@H]3CCNC3=O)C2)n1 ZINC001015845745 657190194 /nfs/dbraw/zinc/19/01/94/657190194.db2.gz QFFUXWJHJAAWMI-WPRPVWTQSA-N 1 2 278.316 -1.492 20 0 CAADLO Cn1ncc(C(=O)N[C@H]2CC[N@H+]([C@H]3CCNC3=O)C2)n1 ZINC001015845745 657190201 /nfs/dbraw/zinc/19/02/01/657190201.db2.gz QFFUXWJHJAAWMI-WPRPVWTQSA-N 1 2 278.316 -1.492 20 0 CAADLO O=C(N[C@H]1CC[N@H+](CCn2cncn2)C1)c1nnc[nH]1 ZINC001015871341 657190277 /nfs/dbraw/zinc/19/02/77/657190277.db2.gz LYDGXEBOQYJIRU-VIFPVBQESA-N 1 2 276.304 -1.100 20 0 CAADLO O=C(N[C@H]1CC[N@@H+](CCn2cncn2)C1)c1nnc[nH]1 ZINC001015871341 657190289 /nfs/dbraw/zinc/19/02/89/657190289.db2.gz LYDGXEBOQYJIRU-VIFPVBQESA-N 1 2 276.304 -1.100 20 0 CAADLO O=C(N[C@H]1CC[N@H+](CCn2cncn2)C1)c1ncn[nH]1 ZINC001015871341 657190292 /nfs/dbraw/zinc/19/02/92/657190292.db2.gz LYDGXEBOQYJIRU-VIFPVBQESA-N 1 2 276.304 -1.100 20 0 CAADLO O=C(N[C@H]1CC[N@@H+](CCn2cncn2)C1)c1ncn[nH]1 ZINC001015871341 657190295 /nfs/dbraw/zinc/19/02/95/657190295.db2.gz LYDGXEBOQYJIRU-VIFPVBQESA-N 1 2 276.304 -1.100 20 0 CAADLO O=C(N[C@@H]1CC[N@H+](CCn2cncn2)C1)c1nnc[nH]1 ZINC001015871339 657190794 /nfs/dbraw/zinc/19/07/94/657190794.db2.gz LYDGXEBOQYJIRU-SECBINFHSA-N 1 2 276.304 -1.100 20 0 CAADLO O=C(N[C@@H]1CC[N@@H+](CCn2cncn2)C1)c1nnc[nH]1 ZINC001015871339 657190799 /nfs/dbraw/zinc/19/07/99/657190799.db2.gz LYDGXEBOQYJIRU-SECBINFHSA-N 1 2 276.304 -1.100 20 0 CAADLO O=C(N[C@@H]1CC[N@H+](CCn2cncn2)C1)c1ncn[nH]1 ZINC001015871339 657190806 /nfs/dbraw/zinc/19/08/06/657190806.db2.gz LYDGXEBOQYJIRU-SECBINFHSA-N 1 2 276.304 -1.100 20 0 CAADLO O=C(N[C@@H]1CC[N@@H+](CCn2cncn2)C1)c1ncn[nH]1 ZINC001015871339 657190815 /nfs/dbraw/zinc/19/08/15/657190815.db2.gz LYDGXEBOQYJIRU-SECBINFHSA-N 1 2 276.304 -1.100 20 0 CAADLO CN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)c2cnn(C)n2)C1 ZINC001015843335 657191353 /nfs/dbraw/zinc/19/13/53/657191353.db2.gz YUFZFZLPASTKSJ-VIFPVBQESA-N 1 2 280.332 -1.293 20 0 CAADLO CN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)c2cnn(C)n2)C1 ZINC001015843335 657191357 /nfs/dbraw/zinc/19/13/57/657191357.db2.gz YUFZFZLPASTKSJ-VIFPVBQESA-N 1 2 280.332 -1.293 20 0 CAADLO Cn1ncc(C(=O)N[C@@H]2CC[N@@H+]([C@H]3CCNC3=O)C2)n1 ZINC001015845743 657191364 /nfs/dbraw/zinc/19/13/64/657191364.db2.gz QFFUXWJHJAAWMI-SCZZXKLOSA-N 1 2 278.316 -1.492 20 0 CAADLO Cn1ncc(C(=O)N[C@@H]2CC[N@H+]([C@H]3CCNC3=O)C2)n1 ZINC001015845743 657191371 /nfs/dbraw/zinc/19/13/71/657191371.db2.gz QFFUXWJHJAAWMI-SCZZXKLOSA-N 1 2 278.316 -1.492 20 0 CAADLO CC(C)(C(=O)N[C@@H]1CC[N@H+](CC(N)=O)C1)N1CCOCC1 ZINC001015855951 657191437 /nfs/dbraw/zinc/19/14/37/657191437.db2.gz PURMBIMOOHPCAA-LLVKDONJSA-N 1 2 298.387 -1.227 20 0 CAADLO CC(C)(C(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C1)N1CCOCC1 ZINC001015855951 657191441 /nfs/dbraw/zinc/19/14/41/657191441.db2.gz PURMBIMOOHPCAA-LLVKDONJSA-N 1 2 298.387 -1.227 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)CN2CC(=O)NC2=O)C1 ZINC001015865847 657191451 /nfs/dbraw/zinc/19/14/51/657191451.db2.gz HQZUBGMKQKJFLG-SSDOTTSWSA-N 1 2 283.288 -2.786 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)CN2CC(=O)NC2=O)C1 ZINC001015865847 657191457 /nfs/dbraw/zinc/19/14/57/657191457.db2.gz HQZUBGMKQKJFLG-SSDOTTSWSA-N 1 2 283.288 -2.786 20 0 CAADLO CCn1cc(C(=O)N[C@H]2CC[N@@H+]([C@H](C)C(N)=O)C2)nn1 ZINC001015915989 657192625 /nfs/dbraw/zinc/19/26/25/657192625.db2.gz BBUFSMGYTBPLQR-BDAKNGLRSA-N 1 2 280.332 -1.024 20 0 CAADLO CCn1cc(C(=O)N[C@H]2CC[N@H+]([C@H](C)C(N)=O)C2)nn1 ZINC001015915989 657192630 /nfs/dbraw/zinc/19/26/30/657192630.db2.gz BBUFSMGYTBPLQR-BDAKNGLRSA-N 1 2 280.332 -1.024 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)Cc2ncc[nH]2)C1 ZINC001015902825 657192654 /nfs/dbraw/zinc/19/26/54/657192654.db2.gz QEXHEYFNRSFKPJ-VIFPVBQESA-N 1 2 265.317 -1.111 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)Cc2ncc[nH]2)C1 ZINC001015902825 657192656 /nfs/dbraw/zinc/19/26/56/657192656.db2.gz QEXHEYFNRSFKPJ-VIFPVBQESA-N 1 2 265.317 -1.111 20 0 CAADLO CCC(=O)N1CC[C@H](C(=O)N[C@H]2CC[N@H+](CC(N)=O)C2)C1 ZINC001015956908 657192735 /nfs/dbraw/zinc/19/27/35/657192735.db2.gz KOUXNJAFOHWGFX-QWRGUYRKSA-N 1 2 296.371 -1.079 20 0 CAADLO CCC(=O)N1CC[C@H](C(=O)N[C@H]2CC[N@@H+](CC(N)=O)C2)C1 ZINC001015956908 657192739 /nfs/dbraw/zinc/19/27/39/657192739.db2.gz KOUXNJAFOHWGFX-QWRGUYRKSA-N 1 2 296.371 -1.079 20 0 CAADLO Cn1nnc(CN2CC[C@@H](NC(=O)Cc3[nH]cc[nH+]3)C2)n1 ZINC001015901994 657192888 /nfs/dbraw/zinc/19/28/88/657192888.db2.gz CNWYTMIFHWKQET-SECBINFHSA-N 1 2 290.331 -1.134 20 0 CAADLO CCn1cc(C(=O)N[C@H]2CC[N@@H+]([C@@H](C)C(N)=O)C2)nn1 ZINC001015915991 657193260 /nfs/dbraw/zinc/19/32/60/657193260.db2.gz BBUFSMGYTBPLQR-IUCAKERBSA-N 1 2 280.332 -1.024 20 0 CAADLO CCn1cc(C(=O)N[C@H]2CC[N@H+]([C@@H](C)C(N)=O)C2)nn1 ZINC001015915991 657193267 /nfs/dbraw/zinc/19/32/67/657193267.db2.gz BBUFSMGYTBPLQR-IUCAKERBSA-N 1 2 280.332 -1.024 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)c2cc(C(N)=O)c[nH]2)C1 ZINC001015903930 657193328 /nfs/dbraw/zinc/19/33/28/657193328.db2.gz AGWBNOTXOOCGMB-APPZFPTMSA-N 1 2 293.327 -1.209 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)c2cc(C(N)=O)c[nH]2)C1 ZINC001015903930 657193337 /nfs/dbraw/zinc/19/33/37/657193337.db2.gz AGWBNOTXOOCGMB-APPZFPTMSA-N 1 2 293.327 -1.209 20 0 CAADLO O=C(N[C@@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1)c1cnon1 ZINC001015876656 657193464 /nfs/dbraw/zinc/19/34/64/657193464.db2.gz NAIKRVIDMYDACA-VXNVDRBHSA-N 1 2 265.273 -1.238 20 0 CAADLO O=C(N[C@@H]1CC[N@H+]([C@@H]2CCNC2=O)C1)c1cnon1 ZINC001015876656 657193467 /nfs/dbraw/zinc/19/34/67/657193467.db2.gz NAIKRVIDMYDACA-VXNVDRBHSA-N 1 2 265.273 -1.238 20 0 CAADLO CCn1cc(C(=O)N[C@@H]2CC[N@@H+]([C@H](C)C(N)=O)C2)nn1 ZINC001015915992 657193611 /nfs/dbraw/zinc/19/36/11/657193611.db2.gz BBUFSMGYTBPLQR-RKDXNWHRSA-N 1 2 280.332 -1.024 20 0 CAADLO CCn1cc(C(=O)N[C@@H]2CC[N@H+]([C@H](C)C(N)=O)C2)nn1 ZINC001015915992 657193614 /nfs/dbraw/zinc/19/36/14/657193614.db2.gz BBUFSMGYTBPLQR-RKDXNWHRSA-N 1 2 280.332 -1.024 20 0 CAADLO O=C(Cc1nc[nH]n1)N[C@@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001015968487 657194424 /nfs/dbraw/zinc/19/44/24/657194424.db2.gz YZOYHGPDYQUASJ-RKDXNWHRSA-N 1 2 278.316 -1.574 20 0 CAADLO O=C(Cc1nc[nH]n1)N[C@@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001015968487 657194432 /nfs/dbraw/zinc/19/44/32/657194432.db2.gz YZOYHGPDYQUASJ-RKDXNWHRSA-N 1 2 278.316 -1.574 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)Cc2cncn2C)C1 ZINC001015995803 657194919 /nfs/dbraw/zinc/19/49/19/657194919.db2.gz AJBFFJZMTPPVPM-JTQLQIEISA-N 1 2 279.344 -1.101 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)Cc2cncn2C)C1 ZINC001015995803 657194924 /nfs/dbraw/zinc/19/49/24/657194924.db2.gz AJBFFJZMTPPVPM-JTQLQIEISA-N 1 2 279.344 -1.101 20 0 CAADLO O=C(Cc1nc[nH]n1)N[C@@H]1CC[N@H+](CC(=O)N2CCC2)C1 ZINC001015968445 657194948 /nfs/dbraw/zinc/19/49/48/657194948.db2.gz YDYWLHIKNNWQAN-SNVBAGLBSA-N 1 2 292.343 -1.230 20 0 CAADLO O=C(Cc1nc[nH]n1)N[C@@H]1CC[N@@H+](CC(=O)N2CCC2)C1 ZINC001015968445 657194953 /nfs/dbraw/zinc/19/49/53/657194953.db2.gz YDYWLHIKNNWQAN-SNVBAGLBSA-N 1 2 292.343 -1.230 20 0 CAADLO Cn1nncc1C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001016029228 657194997 /nfs/dbraw/zinc/19/49/97/657194997.db2.gz DSDFMOJJVPXWJQ-KOLCDFICSA-N 1 2 292.343 -1.216 20 0 CAADLO Cn1nncc1C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001016029228 657194999 /nfs/dbraw/zinc/19/49/99/657194999.db2.gz DSDFMOJJVPXWJQ-KOLCDFICSA-N 1 2 292.343 -1.216 20 0 CAADLO O=C(Cc1nc[nH]n1)N[C@@H]1CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001015968484 657195378 /nfs/dbraw/zinc/19/53/78/657195378.db2.gz YZOYHGPDYQUASJ-BDAKNGLRSA-N 1 2 278.316 -1.574 20 0 CAADLO O=C(Cc1nc[nH]n1)N[C@@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001015968484 657195389 /nfs/dbraw/zinc/19/53/89/657195389.db2.gz YZOYHGPDYQUASJ-BDAKNGLRSA-N 1 2 278.316 -1.574 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)Cc2nc[nH]n2)C1 ZINC001015966941 657195429 /nfs/dbraw/zinc/19/54/29/657195429.db2.gz BVZXYHOFDFJBAQ-ZETCQYMHSA-N 1 2 252.278 -1.977 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)Cc2nc[nH]n2)C1 ZINC001015966941 657195433 /nfs/dbraw/zinc/19/54/33/657195433.db2.gz BVZXYHOFDFJBAQ-ZETCQYMHSA-N 1 2 252.278 -1.977 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCc3n[nH]nc3C2)C1 ZINC001015994506 657195455 /nfs/dbraw/zinc/19/54/55/657195455.db2.gz WDZKDYFLRYNPDF-RKDXNWHRSA-N 1 2 292.343 -1.415 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCc3n[nH]nc3C2)C1 ZINC001015994506 657195459 /nfs/dbraw/zinc/19/54/59/657195459.db2.gz WDZKDYFLRYNPDF-RKDXNWHRSA-N 1 2 292.343 -1.415 20 0 CAADLO O=C(Cc1nnc[nH]1)N[C@@H]1CC[N@@H+]([C@@H]2CCCNC2=O)C1 ZINC001015967804 657195629 /nfs/dbraw/zinc/19/56/29/657195629.db2.gz NHXGZKXYAOBMFS-NXEZZACHSA-N 1 2 292.343 -1.184 20 0 CAADLO O=C(Cc1nnc[nH]1)N[C@@H]1CC[N@H+]([C@@H]2CCCNC2=O)C1 ZINC001015967804 657195641 /nfs/dbraw/zinc/19/56/41/657195641.db2.gz NHXGZKXYAOBMFS-NXEZZACHSA-N 1 2 292.343 -1.184 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCCN2C(N)=O)C1 ZINC001015975103 657195709 /nfs/dbraw/zinc/19/57/09/657195709.db2.gz IUEPZSHBKLNFQA-ZJUUUORDSA-N 1 2 297.359 -1.405 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCCN2C(N)=O)C1 ZINC001015975103 657195719 /nfs/dbraw/zinc/19/57/19/657195719.db2.gz IUEPZSHBKLNFQA-ZJUUUORDSA-N 1 2 297.359 -1.405 20 0 CAADLO O=C(Cc1nc[nH]n1)N[C@H]1CC[N@H+](CC(=O)N2CCC2)C1 ZINC001015968444 657196143 /nfs/dbraw/zinc/19/61/43/657196143.db2.gz YDYWLHIKNNWQAN-JTQLQIEISA-N 1 2 292.343 -1.230 20 0 CAADLO O=C(Cc1nc[nH]n1)N[C@H]1CC[N@@H+](CC(=O)N2CCC2)C1 ZINC001015968444 657196162 /nfs/dbraw/zinc/19/61/62/657196162.db2.gz YDYWLHIKNNWQAN-JTQLQIEISA-N 1 2 292.343 -1.230 20 0 CAADLO CN1CCCC[C@@H](C(=O)N[C@@H]2CC[N@H+](CC(N)=O)C2)C1=O ZINC001015983560 657196552 /nfs/dbraw/zinc/19/65/52/657196552.db2.gz FBFCZAPXJFJEGO-MNOVXSKESA-N 1 2 296.371 -1.079 20 0 CAADLO CN1CCCC[C@@H](C(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C2)C1=O ZINC001015983560 657196558 /nfs/dbraw/zinc/19/65/58/657196558.db2.gz FBFCZAPXJFJEGO-MNOVXSKESA-N 1 2 296.371 -1.079 20 0 CAADLO Cn1cncc1CC(=O)N[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001015996362 657197102 /nfs/dbraw/zinc/19/71/02/657197102.db2.gz JEKBDTSZGPJUBF-VIFPVBQESA-N 1 2 265.317 -1.362 20 0 CAADLO Cn1cncc1CC(=O)N[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001015996362 657197113 /nfs/dbraw/zinc/19/71/13/657197113.db2.gz JEKBDTSZGPJUBF-VIFPVBQESA-N 1 2 265.317 -1.362 20 0 CAADLO CC[C@@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)Cc2nnc[nH]2)C1 ZINC001015970027 657197165 /nfs/dbraw/zinc/19/71/65/657197165.db2.gz GTZHDXALQNVHEX-IUCAKERBSA-N 1 2 280.332 -1.198 20 0 CAADLO CC[C@@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)Cc2nnc[nH]2)C1 ZINC001015970027 657197171 /nfs/dbraw/zinc/19/71/71/657197171.db2.gz GTZHDXALQNVHEX-IUCAKERBSA-N 1 2 280.332 -1.198 20 0 CAADLO CC(=O)N1CCO[C@H](C(=O)N[C@@H]2CC[N@H+](CC(N)=O)C2)C1 ZINC001016145735 657198626 /nfs/dbraw/zinc/19/86/26/657198626.db2.gz SMSYQRXIVQTLBD-MNOVXSKESA-N 1 2 298.343 -2.091 20 0 CAADLO CC(=O)N1CCO[C@H](C(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C2)C1 ZINC001016145735 657198632 /nfs/dbraw/zinc/19/86/32/657198632.db2.gz SMSYQRXIVQTLBD-MNOVXSKESA-N 1 2 298.343 -2.091 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cnn(C)c2OC)C1 ZINC001016104106 657198946 /nfs/dbraw/zinc/19/89/46/657198946.db2.gz OCVIJLGXAUKLQN-SECBINFHSA-N 1 2 295.343 -1.021 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cnn(C)c2OC)C1 ZINC001016104106 657198951 /nfs/dbraw/zinc/19/89/51/657198951.db2.gz OCVIJLGXAUKLQN-SECBINFHSA-N 1 2 295.343 -1.021 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CN2C(=O)CNC2=O)C1 ZINC001016200339 657199937 /nfs/dbraw/zinc/19/99/37/657199937.db2.gz UXQRPNLIFWXFMP-MRVPVSSYSA-N 1 2 297.315 -2.525 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)CN2C(=O)CNC2=O)C1 ZINC001016200339 657199945 /nfs/dbraw/zinc/19/99/45/657199945.db2.gz UXQRPNLIFWXFMP-MRVPVSSYSA-N 1 2 297.315 -2.525 20 0 CAADLO Cc1csc(=O)n1CC(=O)N[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001016225187 657202580 /nfs/dbraw/zinc/20/25/80/657202580.db2.gz CNLDHRHJBODTKI-SECBINFHSA-N 1 2 298.368 -1.106 20 0 CAADLO Cc1csc(=O)n1CC(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001016225187 657202586 /nfs/dbraw/zinc/20/25/86/657202586.db2.gz CNLDHRHJBODTKI-SECBINFHSA-N 1 2 298.368 -1.106 20 0 CAADLO CC(=O)N1CCC(C(=O)N[C@H]2CC[N@H+](CC(N)=O)C2)CC1 ZINC001016216266 657203179 /nfs/dbraw/zinc/20/31/79/657203179.db2.gz MTHPHKLLVUMDSR-LBPRGKRZSA-N 1 2 296.371 -1.079 20 0 CAADLO CC(=O)N1CCC(C(=O)N[C@H]2CC[N@@H+](CC(N)=O)C2)CC1 ZINC001016216266 657203185 /nfs/dbraw/zinc/20/31/85/657203185.db2.gz MTHPHKLLVUMDSR-LBPRGKRZSA-N 1 2 296.371 -1.079 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)CN2C(=O)CNC2=O)C1 ZINC001016202664 657203392 /nfs/dbraw/zinc/20/33/92/657203392.db2.gz OWVKIKYAGYVQCP-SSDOTTSWSA-N 1 2 283.288 -2.786 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)CN2C(=O)CNC2=O)C1 ZINC001016202664 657203402 /nfs/dbraw/zinc/20/34/02/657203402.db2.gz OWVKIKYAGYVQCP-SSDOTTSWSA-N 1 2 283.288 -2.786 20 0 CAADLO Cc1csc(=O)n1CC(=O)N[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001016225188 657204583 /nfs/dbraw/zinc/20/45/83/657204583.db2.gz CNLDHRHJBODTKI-VIFPVBQESA-N 1 2 298.368 -1.106 20 0 CAADLO Cc1csc(=O)n1CC(=O)N[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001016225188 657204585 /nfs/dbraw/zinc/20/45/85/657204585.db2.gz CNLDHRHJBODTKI-VIFPVBQESA-N 1 2 298.368 -1.106 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)C2CCN(C(N)=O)CC2)C1 ZINC001016218738 657204604 /nfs/dbraw/zinc/20/46/04/657204604.db2.gz XGEDUPRLRPZGAS-SNVBAGLBSA-N 1 2 297.359 -1.547 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)C2CCN(C(N)=O)CC2)C1 ZINC001016218738 657204608 /nfs/dbraw/zinc/20/46/08/657204608.db2.gz XGEDUPRLRPZGAS-SNVBAGLBSA-N 1 2 297.359 -1.547 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)c2c[nH]c(C(N)=O)c2)C1 ZINC001016261913 657205871 /nfs/dbraw/zinc/20/58/71/657205871.db2.gz ARKIIZFBEBICQU-APPZFPTMSA-N 1 2 293.327 -1.209 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)c2c[nH]c(C(N)=O)c2)C1 ZINC001016261913 657205886 /nfs/dbraw/zinc/20/58/86/657205886.db2.gz ARKIIZFBEBICQU-APPZFPTMSA-N 1 2 293.327 -1.209 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)c2c[nH]c(C(N)=O)c2)C1 ZINC001016261915 657206962 /nfs/dbraw/zinc/20/69/62/657206962.db2.gz ARKIIZFBEBICQU-IONNQARKSA-N 1 2 293.327 -1.209 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)c2c[nH]c(C(N)=O)c2)C1 ZINC001016261915 657206967 /nfs/dbraw/zinc/20/69/67/657206967.db2.gz ARKIIZFBEBICQU-IONNQARKSA-N 1 2 293.327 -1.209 20 0 CAADLO CN1C[C@@H](C(=O)N[C@@H]2CC[N@H+](CC(N)=O)C2)CCC1=O ZINC001016352560 657208200 /nfs/dbraw/zinc/20/82/00/657208200.db2.gz GKABLOQAAYIBKS-VHSXEESVSA-N 1 2 282.344 -1.469 20 0 CAADLO CN1C[C@@H](C(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C2)CCC1=O ZINC001016352560 657208225 /nfs/dbraw/zinc/20/82/25/657208225.db2.gz GKABLOQAAYIBKS-VHSXEESVSA-N 1 2 282.344 -1.469 20 0 CAADLO NC(=O)Cn1cc(C(=O)N[C@H]2CC[N@H+](CCF)C2)nn1 ZINC001016341186 657208419 /nfs/dbraw/zinc/20/84/19/657208419.db2.gz JWDLMRIXEGJBQS-QMMMGPOBSA-N 1 2 284.295 -1.463 20 0 CAADLO NC(=O)Cn1cc(C(=O)N[C@H]2CC[N@@H+](CCF)C2)nn1 ZINC001016341186 657208429 /nfs/dbraw/zinc/20/84/29/657208429.db2.gz JWDLMRIXEGJBQS-QMMMGPOBSA-N 1 2 284.295 -1.463 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)c2ccc(C(N)=O)nc2)C1 ZINC001016400178 657208573 /nfs/dbraw/zinc/20/85/73/657208573.db2.gz ULLFSAMXZBYQKM-VIFPVBQESA-N 1 2 291.311 -1.530 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)c2ccc(C(N)=O)nc2)C1 ZINC001016400178 657208577 /nfs/dbraw/zinc/20/85/77/657208577.db2.gz ULLFSAMXZBYQKM-VIFPVBQESA-N 1 2 291.311 -1.530 20 0 CAADLO NC(=O)Cn1cc(C(=O)N[C@@H]2CC[N@H+](CCF)C2)nn1 ZINC001016341184 657209148 /nfs/dbraw/zinc/20/91/48/657209148.db2.gz JWDLMRIXEGJBQS-MRVPVSSYSA-N 1 2 284.295 -1.463 20 0 CAADLO NC(=O)Cn1cc(C(=O)N[C@@H]2CC[N@@H+](CCF)C2)nn1 ZINC001016341184 657209156 /nfs/dbraw/zinc/20/91/56/657209156.db2.gz JWDLMRIXEGJBQS-MRVPVSSYSA-N 1 2 284.295 -1.463 20 0 CAADLO Cn1nnc(CN2CC[C@@H](NC(=O)Cn3cc[nH+]c3)C2)n1 ZINC001016395092 657209364 /nfs/dbraw/zinc/20/93/64/657209364.db2.gz SMOCRVQTBMBTEA-SNVBAGLBSA-N 1 2 290.331 -1.203 20 0 CAADLO CN(C(=O)Cc1[nH]cc[nH+]1)C1CC(NC(=O)C(N)=O)C1 ZINC001016934366 657214542 /nfs/dbraw/zinc/21/45/42/657214542.db2.gz LIZABBJTXKROQJ-UHFFFAOYSA-N 1 2 279.300 -1.457 20 0 CAADLO NC(=O)C[NH+]1CCC2(C[C@H]2NC(=O)c2ncn[nH]2)CC1 ZINC001016884417 657214808 /nfs/dbraw/zinc/21/48/08/657214808.db2.gz MWFLRMZFDMUSHZ-MRVPVSSYSA-N 1 2 278.316 -1.126 20 0 CAADLO NC(=O)C[NH+]1CCC2(C[C@H]2NC(=O)c2nc[nH]n2)CC1 ZINC001016884417 657214811 /nfs/dbraw/zinc/21/48/11/657214811.db2.gz MWFLRMZFDMUSHZ-MRVPVSSYSA-N 1 2 278.316 -1.126 20 0 CAADLO NC(=O)C[NH+]1CCC2(C[C@H]2NC(=O)Cc2nnc[nH]2)CC1 ZINC001016914295 657214850 /nfs/dbraw/zinc/21/48/50/657214850.db2.gz AYEKTDUHQGTGEJ-SECBINFHSA-N 1 2 292.343 -1.197 20 0 CAADLO Cn1cnnc1C[N@H+](C)C[C@@H]1CCCN(C(=O)C(N)=O)C1 ZINC001017195219 657218839 /nfs/dbraw/zinc/21/88/39/657218839.db2.gz SFKDGPSGGFVWLA-JTQLQIEISA-N 1 2 294.359 -1.029 20 0 CAADLO Cn1cnnc1C[N@@H+](C)C[C@@H]1CCCN(C(=O)C(N)=O)C1 ZINC001017195219 657218845 /nfs/dbraw/zinc/21/88/45/657218845.db2.gz SFKDGPSGGFVWLA-JTQLQIEISA-N 1 2 294.359 -1.029 20 0 CAADLO CN(C(=O)C(N)=O)C1CC(NC(=O)Cn2cc[nH+]c2)C1 ZINC001016954438 657218988 /nfs/dbraw/zinc/21/89/88/657218988.db2.gz NRXSJIHCABENPQ-UHFFFAOYSA-N 1 2 279.300 -1.526 20 0 CAADLO CN(C)C(=O)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC(N)=O ZINC001017432615 657219902 /nfs/dbraw/zinc/21/99/02/657219902.db2.gz RKCZGRGZHRUFNB-AOOOYVTPSA-N 1 2 282.344 -1.375 20 0 CAADLO CN(C)C(=O)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC(N)=O ZINC001017432615 657219909 /nfs/dbraw/zinc/21/99/09/657219909.db2.gz RKCZGRGZHRUFNB-AOOOYVTPSA-N 1 2 282.344 -1.375 20 0 CAADLO C[C@H]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)CN1C(=O)C(N)=O ZINC001018229974 657225260 /nfs/dbraw/zinc/22/52/60/657225260.db2.gz ICOSFUNZXRXIDX-VHSXEESVSA-N 1 2 293.327 -1.136 20 0 CAADLO C[C@@H]1CC[C@H](NC(=O)Cn2cc[nH+]c2)CN1C(=O)C(N)=O ZINC001018229976 657225685 /nfs/dbraw/zinc/22/56/85/657225685.db2.gz ICOSFUNZXRXIDX-ZJUUUORDSA-N 1 2 293.327 -1.136 20 0 CAADLO C[C@H]1CC[C@H](NC(=O)Cn2cc[nH+]c2)CN1C(=O)C(N)=O ZINC001018229972 657225973 /nfs/dbraw/zinc/22/59/73/657225973.db2.gz ICOSFUNZXRXIDX-UWVGGRQHSA-N 1 2 293.327 -1.136 20 0 CAADLO C[C@@H]1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)CN1C(=O)C(N)=O ZINC001018368073 657227362 /nfs/dbraw/zinc/22/73/62/657227362.db2.gz PBNMPOYMJGAHAP-RKDXNWHRSA-N 1 2 293.327 -1.067 20 0 CAADLO C[C@H]1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)CN1C(=O)C(N)=O ZINC001018368071 657227672 /nfs/dbraw/zinc/22/76/72/657227672.db2.gz PBNMPOYMJGAHAP-DTWKUNHWSA-N 1 2 293.327 -1.067 20 0 CAADLO C[C@@H]1CC[C@@H](NC(=O)C(N)=O)CN1C(=O)Cc1c[nH+]c[nH]1 ZINC001018378399 657228979 /nfs/dbraw/zinc/22/89/79/657228979.db2.gz JJJIPXASJWIOPX-RKDXNWHRSA-N 1 2 293.327 -1.067 20 0 CAADLO Cn1nnnc1C[NH2+][C@H]1CCN(C(=O)c2ccn[nH]2)C1 ZINC001018544732 657232288 /nfs/dbraw/zinc/23/22/88/657232288.db2.gz OGRWNCWAXXJPER-QMMMGPOBSA-N 1 2 276.304 -1.063 20 0 CAADLO CS(=O)(=O)CC(=O)N1CC[C@H]([NH2+]Cc2cnon2)C1 ZINC001018586140 657233079 /nfs/dbraw/zinc/23/30/79/657233079.db2.gz PEYYFRRWPMAUFF-QMMMGPOBSA-N 1 2 288.329 -1.195 20 0 CAADLO Cn1[nH]c(C[NH2+][C@H]2CCN(C(=O)c3cc[nH]n3)C2)nc1=O ZINC001018545245 657233336 /nfs/dbraw/zinc/23/33/36/657233336.db2.gz WFUWPYUNBQYJJS-QMMMGPOBSA-N 1 2 291.315 -1.164 20 0 CAADLO Cn1[nH]c(C[NH2+][C@H]2CCN(C(=O)c3ccn[nH]3)C2)nc1=O ZINC001018545245 657233367 /nfs/dbraw/zinc/23/33/67/657233367.db2.gz WFUWPYUNBQYJJS-QMMMGPOBSA-N 1 2 291.315 -1.164 20 0 CAADLO Cn1nnnc1C[NH2+][C@H]1CCN(C(=O)Cc2ccn[nH]2)C1 ZINC001018659014 657238846 /nfs/dbraw/zinc/23/88/46/657238846.db2.gz LYJDKIPEZDIOOY-JTQLQIEISA-N 1 2 290.331 -1.134 20 0 CAADLO Cn1[nH]c(C[NH2+][C@H]2CCN(C(=O)CC(C)(C)O)C2)nc1=O ZINC001018786793 657243843 /nfs/dbraw/zinc/24/38/43/657243843.db2.gz YVSLISMJIQBPBR-VIFPVBQESA-N 1 2 297.359 -1.040 20 0 CAADLO O=C(Cn1ncnn1)N1CC[C@H]([NH2+]Cc2csnn2)C1 ZINC001018850049 657246933 /nfs/dbraw/zinc/24/69/33/657246933.db2.gz MFMIKOQEPQGTSE-QMMMGPOBSA-N 1 2 294.344 -1.085 20 0 CAADLO Cc1nnc(C[NH2+][C@H]2CCN(C(=O)Cn3ncnn3)C2)o1 ZINC001018848283 657247098 /nfs/dbraw/zinc/24/70/98/657247098.db2.gz BPMSJZCICRUPBD-VIFPVBQESA-N 1 2 292.303 -1.245 20 0 CAADLO Cn1[nH]c(C[NH2+][C@H]2CCN(C(=O)c3ncc[nH]3)C2)nc1=O ZINC001018822508 657248438 /nfs/dbraw/zinc/24/84/38/657248438.db2.gz WCFVPHLTDHTKRU-QMMMGPOBSA-N 1 2 291.315 -1.164 20 0 CAADLO Cc1noc(C[NH2+][C@H]2CCN(C(=O)[C@@H]3CNC(=O)N3)C2)n1 ZINC001019307524 657260429 /nfs/dbraw/zinc/26/04/29/657260429.db2.gz JHCQLDNYMYXXPQ-IUCAKERBSA-N 1 2 294.315 -1.250 20 0 CAADLO Cc1nnc(C[NH2+][C@H]2CCN(C(=O)c3nnn(C)n3)C2)o1 ZINC001019258913 657260563 /nfs/dbraw/zinc/26/05/63/657260563.db2.gz YKTFXCQRIUFZCJ-QMMMGPOBSA-N 1 2 292.303 -1.094 20 0 CAADLO CC(C)n1nnnc1C[NH2+][C@H]1CCN(C(=O)C(N)=O)C1 ZINC001019312920 657261121 /nfs/dbraw/zinc/26/11/21/657261121.db2.gz BNSDATPIESEVHE-QMMMGPOBSA-N 1 2 281.320 -1.570 20 0 CAADLO CCn1ncnc1C[NH2+][C@H]1CCN(C(=O)C(N)=O)C1 ZINC001019313526 657261133 /nfs/dbraw/zinc/26/11/33/657261133.db2.gz YSAUAVSUWQMHRK-QMMMGPOBSA-N 1 2 266.305 -1.526 20 0 CAADLO NC(=O)C(=O)N1CC[C@H]([NH2+]Cc2nnc3n2CCOC3)C1 ZINC001019312968 657261353 /nfs/dbraw/zinc/26/13/53/657261353.db2.gz BYFSJSCGYNONNB-QMMMGPOBSA-N 1 2 294.315 -2.016 20 0 CAADLO C[C@@H]([NH2+][C@H]1CCN(C(=O)C(N)=O)C1)c1nnnn1C ZINC001019313361 657261761 /nfs/dbraw/zinc/26/17/61/657261761.db2.gz QQNWXKPOQQDFGS-RQJHMYQMSA-N 1 2 267.293 -2.053 20 0 CAADLO Cn1ncnc1C[NH2+][C@H]1CCN(C(=O)C(N)=O)C1 ZINC001019313356 657262176 /nfs/dbraw/zinc/26/21/76/657262176.db2.gz QLRJYDQIPAOEIU-ZETCQYMHSA-N 1 2 252.278 -2.009 20 0 CAADLO NC(=O)C(=O)N1CC[C@H]([NH2+]Cc2nnnn2C2CC2)C1 ZINC001019313373 657262340 /nfs/dbraw/zinc/26/23/40/657262340.db2.gz RFDWJHBHSXBCTG-ZETCQYMHSA-N 1 2 279.304 -1.816 20 0 CAADLO Cn1[nH]c(C[NH2+][C@H]2CCN(C(=O)C(N)=O)C2)nc1=O ZINC001019313491 657262533 /nfs/dbraw/zinc/26/25/33/657262533.db2.gz XKONOZJLNXKWIB-LURJTMIESA-N 1 2 268.277 -2.716 20 0 CAADLO NC(=O)C(=O)N1CC[C@H]([NH2+]Cc2nncs2)C1 ZINC001019314667 657264716 /nfs/dbraw/zinc/26/47/16/657264716.db2.gz YEPXMCWTYHQKJQ-LURJTMIESA-N 1 2 255.303 -1.286 20 0 CAADLO NC(=O)C(=O)N1CCC2(CN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC001019494422 657270961 /nfs/dbraw/zinc/27/09/61/657270961.db2.gz KBCAKTLQEWJZBS-UHFFFAOYSA-N 1 2 291.311 -1.502 20 0 CAADLO CC[C@@H]([NH2+][C@H]1CCN(C(=O)Cc2ncn[nH]2)C1)C(N)=O ZINC001019629415 657275398 /nfs/dbraw/zinc/27/53/98/657275398.db2.gz LCKYLJZXYTWSSM-DTWKUNHWSA-N 1 2 280.332 -1.198 20 0 CAADLO C[C@@H]([NH2+][C@H]1CCN(C(=O)Cc2ncn[nH]2)C1)C(N)=O ZINC001019629444 657275925 /nfs/dbraw/zinc/27/59/25/657275925.db2.gz MOBPKMHJAVQQJE-SFYZADRCSA-N 1 2 266.305 -1.589 20 0 CAADLO Cn1nnc(C[NH2+][C@H]2C[C@H](NC(=O)C3=COCCO3)C2)n1 ZINC001019965393 657281874 /nfs/dbraw/zinc/28/18/74/657281874.db2.gz ZOICEANLFBVWSH-KYZUINATSA-N 1 2 294.315 -1.165 20 0 CAADLO Cn1nnc(C[NH2+][C@H]2C[C@H](NC(=O)c3cn[nH]c3)C2)n1 ZINC001020004637 657283965 /nfs/dbraw/zinc/28/39/65/657283965.db2.gz RZLSLFBTHNYING-KYZUINATSA-N 1 2 276.304 -1.016 20 0 CAADLO Cn1nnc(C[NH2+][C@H]2C[C@H](NC(=O)Cc3cc[nH]n3)C2)n1 ZINC001020041655 657284148 /nfs/dbraw/zinc/28/41/48/657284148.db2.gz QEENLOVMOYSURS-MGCOHNPYSA-N 1 2 290.331 -1.087 20 0 CAADLO Cn1nnc(C[NH2+][C@H]2C[C@H](NC(=O)Cn3cccn3)C2)n1 ZINC001019988699 657284180 /nfs/dbraw/zinc/28/41/80/657284180.db2.gz OIKDUVIWZJXSDH-MGCOHNPYSA-N 1 2 290.331 -1.156 20 0 CAADLO Cn1nnc(C[NH2+][C@H]2C[C@H](NC(=O)[C@H]3CCC(=O)N3)C2)n1 ZINC001020027905 657284444 /nfs/dbraw/zinc/28/44/44/657284444.db2.gz FRWDABNOVDUKMJ-IWSPIJDZSA-N 1 2 293.331 -1.775 20 0 CAADLO Cn1nnc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3COC(=O)N3)C2)n1 ZINC001020121182 657288355 /nfs/dbraw/zinc/28/83/55/657288355.db2.gz CSLFZZSQRJLMMZ-FXQIFTODSA-N 1 2 295.303 -1.945 20 0 CAADLO Cn1cc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3nnn(C)n3)C2)nn1 ZINC001020125321 657288835 /nfs/dbraw/zinc/28/88/35/657288835.db2.gz LPMUGMMOPMJIRS-ZKCHVHJHSA-N 1 2 291.319 -1.611 20 0 CAADLO C[C@H]1[C@@H](NC(=O)C(N)=O)CCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001020145651 657290041 /nfs/dbraw/zinc/29/00/41/657290041.db2.gz ITFAHTCIIKQPJE-GUBZILKMSA-N 1 2 298.343 -2.092 20 0 CAADLO C[C@H]1[C@@H](NC(=O)C(N)=O)CCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001020145651 657290045 /nfs/dbraw/zinc/29/00/45/657290045.db2.gz ITFAHTCIIKQPJE-GUBZILKMSA-N 1 2 298.343 -2.092 20 0 CAADLO Cn1nnc(C[NH2+][C@H]2C[C@H](NC(=O)c3ncc[nH]3)C2)n1 ZINC001020134518 657290437 /nfs/dbraw/zinc/29/04/37/657290437.db2.gz ZKGOVMVMOZAWED-ZKCHVHJHSA-N 1 2 276.304 -1.016 20 0 CAADLO Cn1ncc(C[NH2+][C@H]2C[C@H](NC(=O)c3cn[nH]n3)C2)n1 ZINC001020341083 657294115 /nfs/dbraw/zinc/29/41/15/657294115.db2.gz LIFBEZQKFSQDMX-ZKCHVHJHSA-N 1 2 276.304 -1.016 20 0 CAADLO Cn1ncc(C[NH2+][C@H]2C[C@H](NC(=O)c3cnn[nH]3)C2)n1 ZINC001020341083 657294120 /nfs/dbraw/zinc/29/41/20/657294120.db2.gz LIFBEZQKFSQDMX-ZKCHVHJHSA-N 1 2 276.304 -1.016 20 0 CAADLO C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)c2cn[nH]n2)C1)c1nnnn1C ZINC001020343004 657294167 /nfs/dbraw/zinc/29/41/67/657294167.db2.gz FFYZBGPDYMFPDZ-BWZBUEFSSA-N 1 2 291.319 -1.060 20 0 CAADLO C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)c2cnn[nH]2)C1)c1nnnn1C ZINC001020343004 657294170 /nfs/dbraw/zinc/29/41/70/657294170.db2.gz FFYZBGPDYMFPDZ-BWZBUEFSSA-N 1 2 291.319 -1.060 20 0 CAADLO Cn1ncnc1C[NH2+][C@H]1C[C@H](NC(=O)c2cnn[nH]2)C1 ZINC001020340850 657294422 /nfs/dbraw/zinc/29/44/22/657294422.db2.gz BQWNORVMBMMBDH-ZKCHVHJHSA-N 1 2 276.304 -1.016 20 0 CAADLO Cn1cnnc1C[NH2+][C@H]1C[C@H](NC(=O)c2cnn[nH]2)C1 ZINC001020340920 657294463 /nfs/dbraw/zinc/29/44/63/657294463.db2.gz FRNCCECQUYYFKZ-ZKCHVHJHSA-N 1 2 276.304 -1.016 20 0 CAADLO Cn1nnnc1C[NH2+][C@H]1C[C@H](NC(=O)c2cn[nH]n2)C1 ZINC001020340915 657294576 /nfs/dbraw/zinc/29/45/76/657294576.db2.gz FJCNBPLAIYBRIL-LJGSYFOKSA-N 1 2 277.292 -1.621 20 0 CAADLO Cn1nnnc1C[NH2+][C@H]1C[C@H](NC(=O)c2cnn[nH]2)C1 ZINC001020340915 657294583 /nfs/dbraw/zinc/29/45/83/657294583.db2.gz FJCNBPLAIYBRIL-LJGSYFOKSA-N 1 2 277.292 -1.621 20 0 CAADLO C[C@@H](CC(N)=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(N)=O ZINC001110893328 782192090 /nfs/dbraw/zinc/19/20/90/782192090.db2.gz FXXYOFLKRVSCMK-JLIMGVALSA-N 1 2 282.344 -1.295 20 0 CAADLO C[C@@H](CC(N)=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(N)=O ZINC001110893328 782192097 /nfs/dbraw/zinc/19/20/97/782192097.db2.gz FXXYOFLKRVSCMK-JLIMGVALSA-N 1 2 282.344 -1.295 20 0 CAADLO C[C@H](CC(N)=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(N)=O ZINC001110893329 782192115 /nfs/dbraw/zinc/19/21/15/782192115.db2.gz FXXYOFLKRVSCMK-KYXWUPHJSA-N 1 2 282.344 -1.295 20 0 CAADLO C[C@H](CC(N)=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(N)=O ZINC001110893329 782192122 /nfs/dbraw/zinc/19/21/22/782192122.db2.gz FXXYOFLKRVSCMK-KYXWUPHJSA-N 1 2 282.344 -1.295 20 0 CAADLO C[C@@H](C(=O)NC(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(N)=O)C2 ZINC001110965802 782192581 /nfs/dbraw/zinc/19/25/81/782192581.db2.gz JCLLQZMGHJALNU-OSMVPFSASA-N 1 2 297.315 -2.223 20 0 CAADLO C[C@@H](C(=O)NC(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(N)=O)C2 ZINC001110965802 782192587 /nfs/dbraw/zinc/19/25/87/782192587.db2.gz JCLLQZMGHJALNU-OSMVPFSASA-N 1 2 297.315 -2.223 20 0 CAADLO CC(C)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(N)=O)C2 ZINC001110963068 782192856 /nfs/dbraw/zinc/19/28/56/782192856.db2.gz MHVJJKBOJCWRMY-BBBLOLIVSA-N 1 2 282.344 -1.282 20 0 CAADLO CC(C)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(N)=O)C2 ZINC001110963068 782192859 /nfs/dbraw/zinc/19/28/59/782192859.db2.gz MHVJJKBOJCWRMY-BBBLOLIVSA-N 1 2 282.344 -1.282 20 0 CAADLO C[N@@H+]1CCN(C(=O)c2nccnc2N)C[C@@H]1CO ZINC000687620506 782197321 /nfs/dbraw/zinc/19/73/21/782197321.db2.gz VOSCLKZQBPCMBI-MRVPVSSYSA-N 1 2 251.290 -1.193 20 0 CAADLO C[N@H+]1CCN(C(=O)c2nccnc2N)C[C@@H]1CO ZINC000687620506 782197327 /nfs/dbraw/zinc/19/73/27/782197327.db2.gz VOSCLKZQBPCMBI-MRVPVSSYSA-N 1 2 251.290 -1.193 20 0 CAADLO CCN1C[C@@H](C(=O)N2CC[N@H+](C)[C@@H](CO)C2)CC1=O ZINC000687595699 782197401 /nfs/dbraw/zinc/19/74/01/782197401.db2.gz HGEZLQQWOQUQPK-WDEREUQCSA-N 1 2 269.345 -1.010 20 0 CAADLO CCN1C[C@@H](C(=O)N2CC[N@@H+](C)[C@@H](CO)C2)CC1=O ZINC000687595699 782197410 /nfs/dbraw/zinc/19/74/10/782197410.db2.gz HGEZLQQWOQUQPK-WDEREUQCSA-N 1 2 269.345 -1.010 20 0 CAADLO C[N@@H+]1CCN(C(=O)[C@@H]2CCC(=O)NC2)C[C@H]1CO ZINC000687590226 782196887 /nfs/dbraw/zinc/19/68/87/782196887.db2.gz LQPSNXISNZPKLY-ZJUUUORDSA-N 1 2 255.318 -1.353 20 0 CAADLO C[N@H+]1CCN(C(=O)[C@@H]2CCC(=O)NC2)C[C@H]1CO ZINC000687590226 782196892 /nfs/dbraw/zinc/19/68/92/782196892.db2.gz LQPSNXISNZPKLY-ZJUUUORDSA-N 1 2 255.318 -1.353 20 0 CAADLO CCN1C[C@H](C(=O)N2CC[N@H+](C)[C@@H](CO)C2)CC1=O ZINC000687595696 782198286 /nfs/dbraw/zinc/19/82/86/782198286.db2.gz HGEZLQQWOQUQPK-GHMZBOCLSA-N 1 2 269.345 -1.010 20 0 CAADLO CCN1C[C@H](C(=O)N2CC[N@@H+](C)[C@@H](CO)C2)CC1=O ZINC000687595696 782198291 /nfs/dbraw/zinc/19/82/91/782198291.db2.gz HGEZLQQWOQUQPK-GHMZBOCLSA-N 1 2 269.345 -1.010 20 0 CAADLO CN1C[C@@H](C(=O)N2CC[N@H+](C)[C@H](CO)C2)CC1=O ZINC000687600407 782198568 /nfs/dbraw/zinc/19/85/68/782198568.db2.gz VKXQEVMZVXLLED-UWVGGRQHSA-N 1 2 255.318 -1.400 20 0 CAADLO CN1C[C@@H](C(=O)N2CC[N@@H+](C)[C@H](CO)C2)CC1=O ZINC000687600407 782198575 /nfs/dbraw/zinc/19/85/75/782198575.db2.gz VKXQEVMZVXLLED-UWVGGRQHSA-N 1 2 255.318 -1.400 20 0 CAADLO C[C@H]1C[C@@H](NC(=O)c2cn[nH]n2)CC[N@@H+]1CC(N)=O ZINC000947485209 782199205 /nfs/dbraw/zinc/19/92/05/782199205.db2.gz WGWNLMKIXCTZNV-YUMQZZPRSA-N 1 2 266.305 -1.127 20 0 CAADLO C[C@H]1C[C@@H](NC(=O)c2cn[nH]n2)CC[N@H+]1CC(N)=O ZINC000947485209 782199212 /nfs/dbraw/zinc/19/92/12/782199212.db2.gz WGWNLMKIXCTZNV-YUMQZZPRSA-N 1 2 266.305 -1.127 20 0 CAADLO C[C@H]1C[C@@H](NC(=O)c2cnn[nH]2)CC[N@@H+]1CC(N)=O ZINC000947485209 782199220 /nfs/dbraw/zinc/19/92/20/782199220.db2.gz WGWNLMKIXCTZNV-YUMQZZPRSA-N 1 2 266.305 -1.127 20 0 CAADLO C[C@H]1C[C@@H](NC(=O)c2cnn[nH]2)CC[N@H+]1CC(N)=O ZINC000947485209 782199225 /nfs/dbraw/zinc/19/92/25/782199225.db2.gz WGWNLMKIXCTZNV-YUMQZZPRSA-N 1 2 266.305 -1.127 20 0 CAADLO CN(C)S(=O)(=O)N1CC[NH+](C[C@H](O)CO)CC1 ZINC000687820503 782200042 /nfs/dbraw/zinc/20/00/42/782200042.db2.gz OSWMOAFVTQFNES-VIFPVBQESA-N 1 2 267.351 -2.236 20 0 CAADLO NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCNC(N)=O)C2 ZINC001111374628 782201071 /nfs/dbraw/zinc/20/10/71/782201071.db2.gz VGLKFDZNKSPKPJ-HLTSFMKQSA-N 1 2 283.332 -1.748 20 0 CAADLO NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCNC(N)=O)C2 ZINC001111374628 782201079 /nfs/dbraw/zinc/20/10/79/782201079.db2.gz VGLKFDZNKSPKPJ-HLTSFMKQSA-N 1 2 283.332 -1.748 20 0 CAADLO C#CCNC(=O)CN(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000083244455 782202084 /nfs/dbraw/zinc/20/20/84/782202084.db2.gz CJIFPTSMWITHMK-LBPRGKRZSA-N 1 2 269.345 -1.639 20 0 CAADLO CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cn[nH]n1 ZINC001114506964 782204107 /nfs/dbraw/zinc/20/41/07/782204107.db2.gz FSTWZJAAYIHKGE-VROVMSAKSA-N 1 2 278.316 -1.399 20 0 CAADLO CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cn[nH]n1 ZINC001114506964 782204111 /nfs/dbraw/zinc/20/41/11/782204111.db2.gz FSTWZJAAYIHKGE-VROVMSAKSA-N 1 2 278.316 -1.399 20 0 CAADLO CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnn[nH]1 ZINC001114506964 782204122 /nfs/dbraw/zinc/20/41/22/782204122.db2.gz FSTWZJAAYIHKGE-VROVMSAKSA-N 1 2 278.316 -1.399 20 0 CAADLO CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnn[nH]1 ZINC001114506964 782204128 /nfs/dbraw/zinc/20/41/28/782204128.db2.gz FSTWZJAAYIHKGE-VROVMSAKSA-N 1 2 278.316 -1.399 20 0 CAADLO CN1C(=O)CC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(N)=O ZINC001095883828 782206551 /nfs/dbraw/zinc/20/65/51/782206551.db2.gz CXHYRQBBNGZAPY-RCWTZXSCSA-N 1 2 294.355 -1.186 20 0 CAADLO CN1C(=O)CC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(N)=O ZINC001095883828 782206559 /nfs/dbraw/zinc/20/65/59/782206559.db2.gz CXHYRQBBNGZAPY-RCWTZXSCSA-N 1 2 294.355 -1.186 20 0 CAADLO C[C@@H]([NH2+]CCCN(C)C(=O)Cc1ncn[nH]1)C(N)=O ZINC001276324348 782215121 /nfs/dbraw/zinc/21/51/21/782215121.db2.gz QSTODTTWLZIRJF-MRVPVSSYSA-N 1 2 268.321 -1.341 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1cn[nH]n1 ZINC001114863022 782217111 /nfs/dbraw/zinc/21/71/11/782217111.db2.gz UJBPSEIKLOLBDQ-QAHWYCSRSA-N 1 2 292.343 -1.343 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1cn[nH]n1 ZINC001114863022 782217121 /nfs/dbraw/zinc/21/71/21/782217121.db2.gz UJBPSEIKLOLBDQ-QAHWYCSRSA-N 1 2 292.343 -1.343 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1c[nH]nn1 ZINC001114863022 782217129 /nfs/dbraw/zinc/21/71/29/782217129.db2.gz UJBPSEIKLOLBDQ-QAHWYCSRSA-N 1 2 292.343 -1.343 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1c[nH]nn1 ZINC001114863022 782217137 /nfs/dbraw/zinc/21/71/37/782217137.db2.gz UJBPSEIKLOLBDQ-QAHWYCSRSA-N 1 2 292.343 -1.343 20 0 CAADLO CC(=O)NC[C@@H]1CC[N@@H+]1CC(=O)N1CCN(C(C)=O)CC1 ZINC001037994575 782225878 /nfs/dbraw/zinc/22/58/78/782225878.db2.gz YNDSRXICIFFDGE-ZDUSSCGKSA-N 1 2 296.371 -1.113 20 0 CAADLO CC(=O)NC[C@@H]1CC[N@H+]1CC(=O)N1CCN(C(C)=O)CC1 ZINC001037994575 782225881 /nfs/dbraw/zinc/22/58/81/782225881.db2.gz YNDSRXICIFFDGE-ZDUSSCGKSA-N 1 2 296.371 -1.113 20 0 CAADLO CCC(=O)NCC1(O)CN(C(=O)Cn2cc[nH+]c2)C1 ZINC001041061026 782231004 /nfs/dbraw/zinc/23/10/04/782231004.db2.gz XMAHFFIDHSGZDA-UHFFFAOYSA-N 1 2 266.301 -1.017 20 0 CAADLO O=C(Cn1cc[nH+]c1)N1CC(O)(CNC(=O)C(F)F)C1 ZINC001041079970 782236896 /nfs/dbraw/zinc/23/68/96/782236896.db2.gz CCRPYRHKAGRVMI-UHFFFAOYSA-N 1 2 288.254 -1.162 20 0 CAADLO Cn1cc(C(=O)NC[C@@H]2CC[N@@H+]2CCn2cncn2)nn1 ZINC001038235812 782244973 /nfs/dbraw/zinc/24/49/73/782244973.db2.gz QFGNKEQDRVZRDO-JTQLQIEISA-N 1 2 290.331 -1.089 20 0 CAADLO Cn1cc(C(=O)NC[C@@H]2CC[N@H+]2CCn2cncn2)nn1 ZINC001038235812 782244981 /nfs/dbraw/zinc/24/49/81/782244981.db2.gz QFGNKEQDRVZRDO-JTQLQIEISA-N 1 2 290.331 -1.089 20 0 CAADLO CN(C)C(=O)C[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CCNC(=O)C1 ZINC001038157509 782241205 /nfs/dbraw/zinc/24/12/05/782241205.db2.gz KNYYXXFHVZIGLH-WDEREUQCSA-N 1 2 296.371 -1.209 20 0 CAADLO CN(C)C(=O)C[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CCNC(=O)C1 ZINC001038157509 782241210 /nfs/dbraw/zinc/24/12/10/782241210.db2.gz KNYYXXFHVZIGLH-WDEREUQCSA-N 1 2 296.371 -1.209 20 0 CAADLO CN(C)C(=O)C[N@@H+]1CC[C@H]1CNC(=O)c1c[nH]c(=O)cn1 ZINC001038638155 782241258 /nfs/dbraw/zinc/24/12/58/782241258.db2.gz HYFOQONCCFJIDM-VIFPVBQESA-N 1 2 293.327 -1.338 20 0 CAADLO CN(C)C(=O)C[N@H+]1CC[C@H]1CNC(=O)c1c[nH]c(=O)cn1 ZINC001038638155 782241264 /nfs/dbraw/zinc/24/12/64/782241264.db2.gz HYFOQONCCFJIDM-VIFPVBQESA-N 1 2 293.327 -1.338 20 0 CAADLO O=C(NC[C@H]1CC[N@@H+]1[C@H]1CCNC1=O)c1c[nH]c(=O)cn1 ZINC001038638789 782241625 /nfs/dbraw/zinc/24/16/25/782241625.db2.gz KNPBHMBZRLDITM-SCZZXKLOSA-N 1 2 291.311 -1.538 20 0 CAADLO O=C(NC[C@H]1CC[N@H+]1[C@H]1CCNC1=O)c1c[nH]c(=O)cn1 ZINC001038638789 782241631 /nfs/dbraw/zinc/24/16/31/782241631.db2.gz KNPBHMBZRLDITM-SCZZXKLOSA-N 1 2 291.311 -1.538 20 0 CAADLO Cn1nncc1C(=O)NC[C@@H]1CC[N@@H+]1[C@@H]1CCCNC1=O ZINC001038214727 782242617 /nfs/dbraw/zinc/24/26/17/782242617.db2.gz NULAANSFXPNCMR-VHSXEESVSA-N 1 2 292.343 -1.102 20 0 CAADLO Cn1nncc1C(=O)NC[C@@H]1CC[N@H+]1[C@@H]1CCCNC1=O ZINC001038214727 782242620 /nfs/dbraw/zinc/24/26/20/782242620.db2.gz NULAANSFXPNCMR-VHSXEESVSA-N 1 2 292.343 -1.102 20 0 CAADLO CN(C)C(=O)C[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1COC(=O)N1 ZINC001038211832 782242752 /nfs/dbraw/zinc/24/27/52/782242752.db2.gz HFEXKOOPHLZAFI-RKDXNWHRSA-N 1 2 284.316 -1.627 20 0 CAADLO CN(C)C(=O)C[N@H+]1CC[C@@H]1CNC(=O)[C@H]1COC(=O)N1 ZINC001038211832 782242758 /nfs/dbraw/zinc/24/27/58/782242758.db2.gz HFEXKOOPHLZAFI-RKDXNWHRSA-N 1 2 284.316 -1.627 20 0 CAADLO CN(C)C(=O)C[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1COC(=O)N1 ZINC001038211831 782242884 /nfs/dbraw/zinc/24/28/84/782242884.db2.gz HFEXKOOPHLZAFI-IUCAKERBSA-N 1 2 284.316 -1.627 20 0 CAADLO CN(C)C(=O)C[N@H+]1CC[C@H]1CNC(=O)[C@@H]1COC(=O)N1 ZINC001038211831 782242890 /nfs/dbraw/zinc/24/28/90/782242890.db2.gz HFEXKOOPHLZAFI-IUCAKERBSA-N 1 2 284.316 -1.627 20 0 CAADLO CC(=O)N1CC(C(=O)NC[C@@H]2CC[N@@H+]2[C@H]2CCNC2=O)C1 ZINC001038202324 782243554 /nfs/dbraw/zinc/24/35/54/782243554.db2.gz WQTFDWHQCNCKJE-RYUDHWBXSA-N 1 2 294.355 -1.456 20 0 CAADLO CC(=O)N1CC(C(=O)NC[C@@H]2CC[N@H+]2[C@H]2CCNC2=O)C1 ZINC001038202324 782243562 /nfs/dbraw/zinc/24/35/62/782243562.db2.gz WQTFDWHQCNCKJE-RYUDHWBXSA-N 1 2 294.355 -1.456 20 0 CAADLO O=C(NC[C@H]1CC[N@@H+]1[C@@H]1CCNC1=O)c1cn[nH]c(=O)c1 ZINC001038377468 782245980 /nfs/dbraw/zinc/24/59/80/782245980.db2.gz KWTQCGPZBOKCOZ-NXEZZACHSA-N 1 2 291.311 -1.125 20 0 CAADLO O=C(NC[C@H]1CC[N@H+]1[C@@H]1CCNC1=O)c1cn[nH]c(=O)c1 ZINC001038377468 782245987 /nfs/dbraw/zinc/24/59/87/782245987.db2.gz KWTQCGPZBOKCOZ-NXEZZACHSA-N 1 2 291.311 -1.125 20 0 CAADLO O=C(NC[C@@H]1CC[N@@H+]1[C@@H]1CCNC1=O)c1cnc[nH]c1=O ZINC001038383422 782246254 /nfs/dbraw/zinc/24/62/54/782246254.db2.gz BWUFQWIJRZMDEJ-WCBMZHEXSA-N 1 2 291.311 -1.125 20 0 CAADLO O=C(NC[C@@H]1CC[N@H+]1[C@@H]1CCNC1=O)c1cnc[nH]c1=O ZINC001038383422 782246282 /nfs/dbraw/zinc/24/62/82/782246282.db2.gz BWUFQWIJRZMDEJ-WCBMZHEXSA-N 1 2 291.311 -1.125 20 0 CAADLO CN(C)C(=O)C[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CCC(=O)NC1 ZINC001038454832 782247725 /nfs/dbraw/zinc/24/77/25/782247725.db2.gz ZQUIBBSGQWEWJM-MNOVXSKESA-N 1 2 296.371 -1.209 20 0 CAADLO CN(C)C(=O)C[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CCC(=O)NC1 ZINC001038454832 782247732 /nfs/dbraw/zinc/24/77/32/782247732.db2.gz ZQUIBBSGQWEWJM-MNOVXSKESA-N 1 2 296.371 -1.209 20 0 CAADLO O=C(NC[C@H]1CC[N@@H+]1CCn1cncn1)c1cn[nH]n1 ZINC001038451141 782248544 /nfs/dbraw/zinc/24/85/44/782248544.db2.gz NRHXVOILQTWBLS-SECBINFHSA-N 1 2 276.304 -1.100 20 0 CAADLO O=C(NC[C@H]1CC[N@H+]1CCn1cncn1)c1cn[nH]n1 ZINC001038451141 782248551 /nfs/dbraw/zinc/24/85/51/782248551.db2.gz NRHXVOILQTWBLS-SECBINFHSA-N 1 2 276.304 -1.100 20 0 CAADLO CN(C)C(=O)C[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CCNC1=O ZINC001038597852 782250419 /nfs/dbraw/zinc/25/04/19/782250419.db2.gz ZVLBOCZFKIMMDM-ZJUUUORDSA-N 1 2 282.344 -1.599 20 0 CAADLO CN(C)C(=O)C[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CCNC1=O ZINC001038597852 782250425 /nfs/dbraw/zinc/25/04/25/782250425.db2.gz ZVLBOCZFKIMMDM-ZJUUUORDSA-N 1 2 282.344 -1.599 20 0 CAADLO O=C(C[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCNC1=O)N1CCC1 ZINC001038582731 782250684 /nfs/dbraw/zinc/25/06/84/782250684.db2.gz DOPPOQNAXWNCDZ-GHMZBOCLSA-N 1 2 294.355 -1.455 20 0 CAADLO O=C(C[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCNC1=O)N1CCC1 ZINC001038582731 782250698 /nfs/dbraw/zinc/25/06/98/782250698.db2.gz DOPPOQNAXWNCDZ-GHMZBOCLSA-N 1 2 294.355 -1.455 20 0 CAADLO O=C(C[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CCNC1=O)N1CCC1 ZINC001038582737 782251227 /nfs/dbraw/zinc/25/12/27/782251227.db2.gz DOPPOQNAXWNCDZ-WDEREUQCSA-N 1 2 294.355 -1.455 20 0 CAADLO O=C(C[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CCNC1=O)N1CCC1 ZINC001038582737 782251233 /nfs/dbraw/zinc/25/12/33/782251233.db2.gz DOPPOQNAXWNCDZ-WDEREUQCSA-N 1 2 294.355 -1.455 20 0 CAADLO O=C(C[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CCNC1=O)N1CCC1 ZINC001038582735 782251397 /nfs/dbraw/zinc/25/13/97/782251397.db2.gz DOPPOQNAXWNCDZ-QWRGUYRKSA-N 1 2 294.355 -1.455 20 0 CAADLO O=C(C[N@H+]1CC[C@H]1CNC(=O)[C@H]1CCNC1=O)N1CCC1 ZINC001038582735 782251404 /nfs/dbraw/zinc/25/14/04/782251404.db2.gz DOPPOQNAXWNCDZ-QWRGUYRKSA-N 1 2 294.355 -1.455 20 0 CAADLO Cn1cc(C(=O)NC[C@H]2CC[N@@H+]2[C@@H]2CCNC2=O)[nH]c1=O ZINC001038656763 782253953 /nfs/dbraw/zinc/25/39/53/782253953.db2.gz GAVWQTJHGIRYBV-PSASIEDQSA-N 1 2 293.327 -1.182 20 0 CAADLO Cn1cc(C(=O)NC[C@H]2CC[N@H+]2[C@@H]2CCNC2=O)[nH]c1=O ZINC001038656763 782253959 /nfs/dbraw/zinc/25/39/59/782253959.db2.gz GAVWQTJHGIRYBV-PSASIEDQSA-N 1 2 293.327 -1.182 20 0 CAADLO CN(C)C(=O)C[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CNC(=O)N1 ZINC001038653474 782255178 /nfs/dbraw/zinc/25/51/78/782255178.db2.gz XULMEJRSXMCXGH-BDAKNGLRSA-N 1 2 283.332 -2.054 20 0 CAADLO Cn1c[nH+]cc1CN1CC[C@@H]1CNC(=O)[C@@H]1CNC(=O)N1 ZINC001038652099 782254458 /nfs/dbraw/zinc/25/44/58/782254458.db2.gz SCDQUYXAFJSFRL-KOLCDFICSA-N 1 2 292.343 -1.208 20 0 CAADLO CN(C)C(=O)C[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CNC(=O)N1 ZINC001038653474 782255169 /nfs/dbraw/zinc/25/51/69/782255169.db2.gz XULMEJRSXMCXGH-BDAKNGLRSA-N 1 2 283.332 -2.054 20 0 CAADLO Cn1cc(C(=O)NC[C@@H]2CC[N@@H+]2[C@@H]2CCNC2=O)[nH]c1=O ZINC001038656767 782254969 /nfs/dbraw/zinc/25/49/69/782254969.db2.gz GAVWQTJHGIRYBV-WCBMZHEXSA-N 1 2 293.327 -1.182 20 0 CAADLO Cn1cc(C(=O)NC[C@@H]2CC[N@H+]2[C@@H]2CCNC2=O)[nH]c1=O ZINC001038656767 782254978 /nfs/dbraw/zinc/25/49/78/782254978.db2.gz GAVWQTJHGIRYBV-WCBMZHEXSA-N 1 2 293.327 -1.182 20 0 CAADLO Cn1ncc(C(=O)NC[C@@H]2CC[N@@H+]2CCn2cncn2)n1 ZINC001038803749 782258449 /nfs/dbraw/zinc/25/84/49/782258449.db2.gz DNBFWCCLVMSQHZ-JTQLQIEISA-N 1 2 290.331 -1.089 20 0 CAADLO Cn1ncc(C(=O)NC[C@@H]2CC[N@H+]2CCn2cncn2)n1 ZINC001038803749 782258457 /nfs/dbraw/zinc/25/84/57/782258457.db2.gz DNBFWCCLVMSQHZ-JTQLQIEISA-N 1 2 290.331 -1.089 20 0 CAADLO CN1CC[C@@H](C(=O)NC[C@@H]2CC[N@@H+]2CCO)S1(=O)=O ZINC001038802603 782258527 /nfs/dbraw/zinc/25/85/27/782258527.db2.gz UOPOBHSJVSCPOV-UWVGGRQHSA-N 1 2 291.373 -1.797 20 0 CAADLO CN1CC[C@@H](C(=O)NC[C@@H]2CC[N@H+]2CCO)S1(=O)=O ZINC001038802603 782258535 /nfs/dbraw/zinc/25/85/35/782258535.db2.gz UOPOBHSJVSCPOV-UWVGGRQHSA-N 1 2 291.373 -1.797 20 0 CAADLO CN1CC[C@H](C(=O)NC[C@H]2CC[N@@H+]2CCO)S1(=O)=O ZINC001038802601 782259045 /nfs/dbraw/zinc/25/90/45/782259045.db2.gz UOPOBHSJVSCPOV-NXEZZACHSA-N 1 2 291.373 -1.797 20 0 CAADLO CN1CC[C@H](C(=O)NC[C@H]2CC[N@H+]2CCO)S1(=O)=O ZINC001038802601 782259054 /nfs/dbraw/zinc/25/90/54/782259054.db2.gz UOPOBHSJVSCPOV-NXEZZACHSA-N 1 2 291.373 -1.797 20 0 CAADLO CN(C)C(=O)C[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001038705584 782255901 /nfs/dbraw/zinc/25/59/01/782255901.db2.gz VGAUYCDPPPPQJQ-BBBLOLIVSA-N 1 2 282.344 -1.614 20 0 CAADLO CN(C)C(=O)C[N@H+]1CC[C@@H]1CNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001038705584 782255907 /nfs/dbraw/zinc/25/59/07/782255907.db2.gz VGAUYCDPPPPQJQ-BBBLOLIVSA-N 1 2 282.344 -1.614 20 0 CAADLO CC(C)(C)OC(=O)[C@H](O)C[NH+]1CCN(CC(N)=O)CC1 ZINC001253682413 782256150 /nfs/dbraw/zinc/25/61/50/782256150.db2.gz AHADIYTXYSYIOF-SNVBAGLBSA-N 1 2 287.360 -1.208 20 0 CAADLO NC(=O)[C@@H]1C[C@@H]1C(=O)NC[C@@H]1CC[N@@H+]1CC(=O)N1CCC1 ZINC001038704079 782256363 /nfs/dbraw/zinc/25/63/63/782256363.db2.gz PHLDCIUBZQMXFC-AXFHLTTASA-N 1 2 294.355 -1.469 20 0 CAADLO NC(=O)[C@@H]1C[C@@H]1C(=O)NC[C@@H]1CC[N@H+]1CC(=O)N1CCC1 ZINC001038704079 782256373 /nfs/dbraw/zinc/25/63/73/782256373.db2.gz PHLDCIUBZQMXFC-AXFHLTTASA-N 1 2 294.355 -1.469 20 0 CAADLO O=C(NC[C@H]1CC[N@@H+]1CCN1CCNC1=O)c1cnon1 ZINC001038849750 782261039 /nfs/dbraw/zinc/26/10/39/782261039.db2.gz MANUIHQLWWMESF-SECBINFHSA-N 1 2 294.315 -1.101 20 0 CAADLO O=C(NC[C@H]1CC[N@H+]1CCN1CCNC1=O)c1cnon1 ZINC001038849750 782261045 /nfs/dbraw/zinc/26/10/45/782261045.db2.gz MANUIHQLWWMESF-SECBINFHSA-N 1 2 294.315 -1.101 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(N)=O ZINC001039427087 782268306 /nfs/dbraw/zinc/26/83/06/782268306.db2.gz HJOCRUPTXYQZOR-BDAKNGLRSA-N 1 2 268.317 -1.717 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(N)=O ZINC001039427087 782268316 /nfs/dbraw/zinc/26/83/16/782268316.db2.gz HJOCRUPTXYQZOR-BDAKNGLRSA-N 1 2 268.317 -1.717 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(N)=O ZINC001039426368 782268391 /nfs/dbraw/zinc/26/83/91/782268391.db2.gz CLGLWSKCLKFLFY-HLTSFMKQSA-N 1 2 268.317 -1.589 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(N)=O ZINC001039426368 782268396 /nfs/dbraw/zinc/26/83/96/782268396.db2.gz CLGLWSKCLKFLFY-HLTSFMKQSA-N 1 2 268.317 -1.589 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[C@H]1C(N)=O ZINC001039436221 782268983 /nfs/dbraw/zinc/26/89/83/782268983.db2.gz AWTCVQPBAVQDEY-YTWAJWBKSA-N 1 2 294.355 -1.342 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[C@H]1C(N)=O ZINC001039436221 782268994 /nfs/dbraw/zinc/26/89/94/782268994.db2.gz AWTCVQPBAVQDEY-YTWAJWBKSA-N 1 2 294.355 -1.342 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cn1ncnn1 ZINC001039374232 782269369 /nfs/dbraw/zinc/26/93/69/782269369.db2.gz LARCXPFSDPXJJI-ZJUUUORDSA-N 1 2 293.331 -1.776 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cn1ncnn1 ZINC001039374232 782269380 /nfs/dbraw/zinc/26/93/80/782269380.db2.gz LARCXPFSDPXJJI-ZJUUUORDSA-N 1 2 293.331 -1.776 20 0 CAADLO CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2CCN2CCO)C1 ZINC001039041347 782266287 /nfs/dbraw/zinc/26/62/87/782266287.db2.gz XXFFMUPAHWSIMT-NWDGAFQWSA-N 1 2 271.361 -1.110 20 0 CAADLO CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2CCN2CCO)C1 ZINC001039041347 782266294 /nfs/dbraw/zinc/26/62/94/782266294.db2.gz XXFFMUPAHWSIMT-NWDGAFQWSA-N 1 2 271.361 -1.110 20 0 CAADLO NC(=O)C(=O)N1CC[C@](O)(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001040215675 782275305 /nfs/dbraw/zinc/27/53/05/782275305.db2.gz WRTITSAIGJPJBX-LBPRGKRZSA-N 1 2 295.299 -2.552 20 0 CAADLO NC(=O)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2CCn1cncn1 ZINC001039885072 782273624 /nfs/dbraw/zinc/27/36/24/782273624.db2.gz BDDNYKVAOKUFDK-PHIMTYICSA-N 1 2 292.343 -1.171 20 0 CAADLO NC(=O)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCn1cncn1 ZINC001039885072 782273628 /nfs/dbraw/zinc/27/36/28/782273628.db2.gz BDDNYKVAOKUFDK-PHIMTYICSA-N 1 2 292.343 -1.171 20 0 CAADLO NC(=O)C(=O)N1CC[C@@](O)(CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001040697390 782279507 /nfs/dbraw/zinc/27/95/07/782279507.db2.gz SLGAFIQIRJAIJW-GFCCVEGCSA-N 1 2 295.299 -2.483 20 0 CAADLO CCOCC(=O)NCC1(O)CN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001041307563 782305420 /nfs/dbraw/zinc/30/54/20/782305420.db2.gz UODOSVGSTNJNOI-UHFFFAOYSA-N 1 2 296.327 -1.322 20 0 CAADLO CCOCC(=O)NCC1(O)CN(C(=O)Cn2cc[nH+]c2)C1 ZINC001041310903 782306197 /nfs/dbraw/zinc/30/61/97/782306197.db2.gz HIHNGXPFGLXWFB-UHFFFAOYSA-N 1 2 296.327 -1.391 20 0 CAADLO COCC(=O)NCC1(O)CN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001041161215 782298703 /nfs/dbraw/zinc/29/87/03/782298703.db2.gz VHEPBBRKCIXGPA-UHFFFAOYSA-N 1 2 296.327 -1.322 20 0 CAADLO COCC(=O)NCC1(O)CN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001041161215 782298709 /nfs/dbraw/zinc/29/87/09/782298709.db2.gz VHEPBBRKCIXGPA-UHFFFAOYSA-N 1 2 296.327 -1.322 20 0 CAADLO Cn1ncc(C[N@@H+]2CC[C@@]3(CCN(C(=O)C(N)=O)C3)C2)n1 ZINC001041613338 782312440 /nfs/dbraw/zinc/31/24/40/782312440.db2.gz GDFSJIKIMVROAS-CYBMUJFWSA-N 1 2 292.343 -1.275 20 0 CAADLO Cn1ncc(C[N@H+]2CC[C@@]3(CCN(C(=O)C(N)=O)C3)C2)n1 ZINC001041613338 782312449 /nfs/dbraw/zinc/31/24/49/782312449.db2.gz GDFSJIKIMVROAS-CYBMUJFWSA-N 1 2 292.343 -1.275 20 0 CAADLO Cn1ncc(C[N@@H+]2CC[C@]3(CCN(C(=O)C(N)=O)C3)C2)n1 ZINC001041613341 782312717 /nfs/dbraw/zinc/31/27/17/782312717.db2.gz GDFSJIKIMVROAS-ZDUSSCGKSA-N 1 2 292.343 -1.275 20 0 CAADLO Cn1ncc(C[N@H+]2CC[C@]3(CCN(C(=O)C(N)=O)C3)C2)n1 ZINC001041613341 782312718 /nfs/dbraw/zinc/31/27/18/782312718.db2.gz GDFSJIKIMVROAS-ZDUSSCGKSA-N 1 2 292.343 -1.275 20 0 CAADLO NC(=O)C(=O)N1CC[C@]2(CC[N@H+](Cc3cnon3)C2)C1 ZINC001041627169 782314665 /nfs/dbraw/zinc/31/46/65/782314665.db2.gz FPEDUVPRRMFUJY-LBPRGKRZSA-N 1 2 279.300 -1.021 20 0 CAADLO NC(=O)C(=O)N1CC[C@]2(CC[N@@H+](Cc3cnon3)C2)C1 ZINC001041627169 782314670 /nfs/dbraw/zinc/31/46/70/782314670.db2.gz FPEDUVPRRMFUJY-LBPRGKRZSA-N 1 2 279.300 -1.021 20 0 CAADLO CO[C@H](C)C(=O)NCC1(O)CN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001041769033 782317870 /nfs/dbraw/zinc/31/78/70/782317870.db2.gz NRSUBNGJRIRIHR-SECBINFHSA-N 1 2 296.327 -1.323 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)C(N)=O)C[C@@H]21 ZINC001042211797 782326067 /nfs/dbraw/zinc/32/60/67/782326067.db2.gz VKCVMBMJQDGSGI-SFYZADRCSA-N 1 2 254.290 -2.120 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)C(N)=O)C[C@@H]21 ZINC001042211797 782326072 /nfs/dbraw/zinc/32/60/72/782326072.db2.gz VKCVMBMJQDGSGI-SFYZADRCSA-N 1 2 254.290 -2.120 20 0 CAADLO Cn1nncc1C[N@@H+]1CC[C@H]2CCN(C(=O)C(N)=O)C[C@H]21 ZINC001042211903 782326850 /nfs/dbraw/zinc/32/68/50/782326850.db2.gz WKQKKDYRDZXNNX-GXSJLCMTSA-N 1 2 292.343 -1.277 20 0 CAADLO Cn1nncc1C[N@H+]1CC[C@H]2CCN(C(=O)C(N)=O)C[C@H]21 ZINC001042211903 782326860 /nfs/dbraw/zinc/32/68/60/782326860.db2.gz WKQKKDYRDZXNNX-GXSJLCMTSA-N 1 2 292.343 -1.277 20 0 CAADLO NC(=O)CC(=O)NCC1(O)CN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001042216936 782329226 /nfs/dbraw/zinc/32/92/26/782329226.db2.gz NZVXWFZYOYJCKW-UHFFFAOYSA-N 1 2 295.299 -2.483 20 0 CAADLO CN(C(=O)c1ccc(=O)[nH]n1)C1C[NH+](CCO)C1 ZINC001042444510 782332052 /nfs/dbraw/zinc/33/20/52/782332052.db2.gz IYLNZXABXYZHKN-UHFFFAOYSA-N 1 2 252.274 -1.069 20 0 CAADLO COC(=O)[C@@H]1C[C@H]1C(=O)N(C)C1C[NH+](CCO)C1 ZINC001042524520 782335254 /nfs/dbraw/zinc/33/52/54/782335254.db2.gz QXPLUCUIEBAHSL-NXEZZACHSA-N 1 2 256.302 -1.070 20 0 CAADLO COC(=O)[C@H]1C[C@@H]1C(=O)N(C)C1C[NH+](CCO)C1 ZINC001042524521 782335302 /nfs/dbraw/zinc/33/53/02/782335302.db2.gz QXPLUCUIEBAHSL-UWVGGRQHSA-N 1 2 256.302 -1.070 20 0 CAADLO COC(=O)[C@@H]1C[C@@H]1C(=O)N(C)C1C[NH+](CCO)C1 ZINC001042524522 782335491 /nfs/dbraw/zinc/33/54/91/782335491.db2.gz QXPLUCUIEBAHSL-VHSXEESVSA-N 1 2 256.302 -1.070 20 0 CAADLO COC(=O)[C@H]1C[C@H]1C(=O)N(C)C1C[NH+](CCO)C1 ZINC001042524523 782336010 /nfs/dbraw/zinc/33/60/10/782336010.db2.gz QXPLUCUIEBAHSL-ZJUUUORDSA-N 1 2 256.302 -1.070 20 0 CAADLO CN(C(=O)[C@H]1CCNC(=O)C1)C1C[NH+](CCO)C1 ZINC001042611378 782339376 /nfs/dbraw/zinc/33/93/76/782339376.db2.gz ZZYSDCJOWGVODJ-VIFPVBQESA-N 1 2 255.318 -1.353 20 0 CAADLO CN(C(=O)CN1CN=NC1=O)C1C[NH+](CCO)C1 ZINC001042639455 782340753 /nfs/dbraw/zinc/34/07/53/782340753.db2.gz BQCLPCBYDSDQAS-UHFFFAOYSA-N 1 2 255.278 -1.881 20 0 CAADLO CN(C(=O)[C@@H]1COCCN1C)C1C[NH+](CCO)C1 ZINC001042636598 782340786 /nfs/dbraw/zinc/34/07/86/782340786.db2.gz QBQQKPPSFIDTDK-NSHDSACASA-N 1 2 257.334 -1.548 20 0 CAADLO CN(C(=O)Cn1ncnn1)C1C[NH+](CCn2cncn2)C1 ZINC001042729996 782345948 /nfs/dbraw/zinc/34/59/48/782345948.db2.gz UYEGRIGJZJKBQI-UHFFFAOYSA-N 1 2 291.319 -1.893 20 0 CAADLO C[C@H](O)C[NH+]1CC(N(C)C(=O)c2cn(C)nn2)C1 ZINC001042683234 782342620 /nfs/dbraw/zinc/34/26/20/782342620.db2.gz NGERGTBIYOPZGO-QMMMGPOBSA-N 1 2 253.306 -1.048 20 0 CAADLO Cc1nnc(CC(=O)N(C)C2C[NH+](CCO)C2)[nH]1 ZINC001042704706 782343377 /nfs/dbraw/zinc/34/33/77/782343377.db2.gz VUPILQUCFRJAAK-UHFFFAOYSA-N 1 2 253.306 -1.209 20 0 CAADLO C[C@@H](O)C[NH+]1CC(N(C)C(=O)c2ncn(C)n2)C1 ZINC001042689108 782343391 /nfs/dbraw/zinc/34/33/91/782343391.db2.gz WOAHLJQMFDDZPX-MRVPVSSYSA-N 1 2 253.306 -1.048 20 0 CAADLO COCC[NH+]1CC(N(C)C(=O)Cn2ncnn2)C1 ZINC001042729127 782344508 /nfs/dbraw/zinc/34/45/08/782344508.db2.gz WZCUJXQYFJLHTH-UHFFFAOYSA-N 1 2 254.294 -1.538 20 0 CAADLO CN(C(=O)[C@@H]1CC(=O)N(C)C1)C1C[NH+](CCO)C1 ZINC001042836353 782348983 /nfs/dbraw/zinc/34/89/83/782348983.db2.gz ATCHLCXEUVUJIJ-SECBINFHSA-N 1 2 255.318 -1.400 20 0 CAADLO CN(C(=O)Cn1ncnn1)C1C[NH+](CCn2cccn2)C1 ZINC001042729980 782346705 /nfs/dbraw/zinc/34/67/05/782346705.db2.gz TZEOKNUHFTTZPO-UHFFFAOYSA-N 1 2 290.331 -1.288 20 0 CAADLO COCC[NH+]1CC(N(C)C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001042748832 782346766 /nfs/dbraw/zinc/34/67/66/782346766.db2.gz UNSGJAVSSITXPM-UHFFFAOYSA-N 1 2 296.331 -1.834 20 0 CAADLO CN(C(=O)C[C@@H]1CCNC1=O)C1C[NH+](CCO)C1 ZINC001042908584 782352309 /nfs/dbraw/zinc/35/23/09/782352309.db2.gz XEIPBEUDWNKZAJ-VIFPVBQESA-N 1 2 255.318 -1.353 20 0 CAADLO CN(C(=O)C[C@H]1CCNC1=O)C1C[NH+](CCO)C1 ZINC001042908583 782352632 /nfs/dbraw/zinc/35/26/32/782352632.db2.gz XEIPBEUDWNKZAJ-SECBINFHSA-N 1 2 255.318 -1.353 20 0 CAADLO C[C@@H]1OCCO[C@@H]1C(=O)N(C)C1C[NH+](CCO)C1 ZINC001042964162 782353040 /nfs/dbraw/zinc/35/30/40/782353040.db2.gz DDHXVMXDFFBRCX-ONGXEEELSA-N 1 2 258.318 -1.075 20 0 CAADLO CN(C(=O)C[C@@H]1NC(=O)NC1=O)C1C[NH+](CCO)C1 ZINC001042955997 782354192 /nfs/dbraw/zinc/35/41/92/782354192.db2.gz DBGBKOOXDPJYJE-QMMMGPOBSA-N 1 2 270.289 -2.281 20 0 CAADLO CN(C(=O)C[C@@H]1CCN(C)C1=O)C1C[NH+](CCO)C1 ZINC001043021883 782354508 /nfs/dbraw/zinc/35/45/08/782354508.db2.gz HYTVZXFDHOSBEU-JTQLQIEISA-N 1 2 269.345 -1.010 20 0 CAADLO CN(C(=O)c1cn[nH]c(=O)c1)C1C[NH+](CCO)C1 ZINC001043004712 782355450 /nfs/dbraw/zinc/35/54/50/782355450.db2.gz QFOHFBGVOFEJIO-UHFFFAOYSA-N 1 2 252.274 -1.069 20 0 CAADLO CN(C(=O)C[C@H]1CCN(C)C1=O)C1C[NH+](CCO)C1 ZINC001043021885 782355473 /nfs/dbraw/zinc/35/54/73/782355473.db2.gz HYTVZXFDHOSBEU-SNVBAGLBSA-N 1 2 269.345 -1.010 20 0 CAADLO CN(C(=O)CN1CCOCC1=O)C1C[NH+](CCO)C1 ZINC001042934034 782351791 /nfs/dbraw/zinc/35/17/91/782351791.db2.gz WWBPIIVQWBYBIP-UHFFFAOYSA-N 1 2 271.317 -2.020 20 0 CAADLO CN(C(=O)[C@@H]1CCC2N=NC(=O)N2C1)C1C[NH+](CCO)C1 ZINC001043126894 782358486 /nfs/dbraw/zinc/35/84/86/782358486.db2.gz ABVPOWHDXRFKIG-SECBINFHSA-N 1 2 295.343 -1.319 20 0 CAADLO CCN1CCOC[C@H]1C(=O)N(C)C1C[NH+](CCO)C1 ZINC001043175730 782359855 /nfs/dbraw/zinc/35/98/55/782359855.db2.gz MSJXIOBNLOZXRD-LBPRGKRZSA-N 1 2 271.361 -1.158 20 0 CAADLO CCN1CCOC[C@@H]1C(=O)N(C)C1C[NH+](CCO)C1 ZINC001043175729 782359911 /nfs/dbraw/zinc/35/99/11/782359911.db2.gz MSJXIOBNLOZXRD-GFCCVEGCSA-N 1 2 271.361 -1.158 20 0 CAADLO CN(C(=O)CN1CCCNC1=O)C1C[NH+](CCO)C1 ZINC001043215159 782360851 /nfs/dbraw/zinc/36/08/51/782360851.db2.gz VDWZBDNZPRMJCR-UHFFFAOYSA-N 1 2 270.333 -1.463 20 0 CAADLO COCC(=O)N1CC(O)(CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001043526110 782369186 /nfs/dbraw/zinc/36/91/86/782369186.db2.gz WOBGBASDGUSWTE-UHFFFAOYSA-N 1 2 296.327 -1.322 20 0 CAADLO COCC(=O)N1CC(O)(CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001043526110 782369190 /nfs/dbraw/zinc/36/91/90/782369190.db2.gz WOBGBASDGUSWTE-UHFFFAOYSA-N 1 2 296.327 -1.322 20 0 CAADLO CN(C(=O)[C@H]1CC[C@H]1C(N)=O)C1C[NH+](CCO)C1 ZINC001043533187 782369276 /nfs/dbraw/zinc/36/92/76/782369276.db2.gz RFVWGWQDCBQDJU-ZJUUUORDSA-N 1 2 255.318 -1.367 20 0 CAADLO COCC[NH+]1CC(N(C)C(=O)[C@@H]2CCNC2=O)C1 ZINC001043530422 782369602 /nfs/dbraw/zinc/36/96/02/782369602.db2.gz NPIWXCLMNHHGCQ-SNVBAGLBSA-N 1 2 255.318 -1.089 20 0 CAADLO CN(C(=O)[C@@H]1CCC(=O)N1C)C1C[NH+](CCO)C1 ZINC001043564786 782370391 /nfs/dbraw/zinc/37/03/91/782370391.db2.gz PIVHPAISNAEUJI-JTQLQIEISA-N 1 2 255.318 -1.258 20 0 CAADLO COC(=O)CS(=O)(=O)NCC[NH+]1CC2(COC2)C1 ZINC001259031404 782371038 /nfs/dbraw/zinc/37/10/38/782371038.db2.gz LUXDQVLINJFYDB-UHFFFAOYSA-N 1 2 278.330 -1.589 20 0 CAADLO CNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(N)=O)C2 ZINC001095949177 782371248 /nfs/dbraw/zinc/37/12/48/782371248.db2.gz GRAQROVOXUKBLO-CSMHCCOUSA-N 1 2 254.290 -2.061 20 0 CAADLO CNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(N)=O)C2 ZINC001095949177 782371258 /nfs/dbraw/zinc/37/12/58/782371258.db2.gz GRAQROVOXUKBLO-CSMHCCOUSA-N 1 2 254.290 -2.061 20 0 CAADLO COCC[NH+]1CC(N(C)C(=O)[C@H]2CCNC2=O)C1 ZINC001043530421 782368565 /nfs/dbraw/zinc/36/85/65/782368565.db2.gz NPIWXCLMNHHGCQ-JTQLQIEISA-N 1 2 255.318 -1.089 20 0 CAADLO CN(C(=O)[C@@H]1CCNC1=O)C1C[NH+](CCn2cncn2)C1 ZINC001043533953 782368863 /nfs/dbraw/zinc/36/88/63/782368863.db2.gz KWRSRZZCKRUMHY-LLVKDONJSA-N 1 2 292.343 -1.443 20 0 CAADLO C[C@@H](C(=O)NC1CC1)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(N)=O)C2 ZINC001095955621 782378189 /nfs/dbraw/zinc/37/81/89/782378189.db2.gz OQPPKNPBXQXWQH-VFRUTBLMSA-N 1 2 294.355 -1.140 20 0 CAADLO NC(=O)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H]1CCNC1=O ZINC001095952955 782373875 /nfs/dbraw/zinc/37/38/75/782373875.db2.gz FVWANTZOHNJIDA-XGEHTFHBSA-N 1 2 266.301 -1.918 20 0 CAADLO NC(=O)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H]1CCNC1=O ZINC001095952955 782373885 /nfs/dbraw/zinc/37/38/85/782373885.db2.gz FVWANTZOHNJIDA-XGEHTFHBSA-N 1 2 266.301 -1.918 20 0 CAADLO C[C@@H](C(=O)NC1CC1)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(N)=O)C2 ZINC001095955621 782378195 /nfs/dbraw/zinc/37/81/95/782378195.db2.gz OQPPKNPBXQXWQH-VFRUTBLMSA-N 1 2 294.355 -1.140 20 0 CAADLO COCC[NH+]1CC(N(C)C(=O)[C@H]2CNC(=O)N2)C1 ZINC001043703201 782374203 /nfs/dbraw/zinc/37/42/03/782374203.db2.gz BHJGQUSGOWFVDJ-SECBINFHSA-N 1 2 256.306 -1.543 20 0 CAADLO CO[C@H](C)C(=O)N1CC(O)(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001043707063 782374525 /nfs/dbraw/zinc/37/45/25/782374525.db2.gz CKEOKFQRGDBEFV-SNVBAGLBSA-N 1 2 296.327 -1.393 20 0 CAADLO CN(C(=O)[C@@H]1CNC(=O)N1)C1C[NH+](CCn2cncn2)C1 ZINC001043704591 782374722 /nfs/dbraw/zinc/37/47/22/782374722.db2.gz NKKDFRGJOZVFOC-JTQLQIEISA-N 1 2 293.331 -1.898 20 0 CAADLO CSCC(=O)N1CC(O)(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001043708473 782375508 /nfs/dbraw/zinc/37/55/08/782375508.db2.gz PTLIPTOWOVSOSM-UHFFFAOYSA-N 1 2 298.368 -1.064 20 0 CAADLO CCOCC(=O)N1CC(O)(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001043709538 782375712 /nfs/dbraw/zinc/37/57/12/782375712.db2.gz YWAXWEVMRATUQR-UHFFFAOYSA-N 1 2 296.327 -1.391 20 0 CAADLO COCC(=O)N1CC(O)(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001043709341 782375907 /nfs/dbraw/zinc/37/59/07/782375907.db2.gz VROQGBHLBAVWRB-UHFFFAOYSA-N 1 2 282.300 -1.781 20 0 CAADLO CN(C(=O)C(N)=O)C1C[NH+](CCc2ccnn2C)C1 ZINC001043712957 782376393 /nfs/dbraw/zinc/37/63/93/782376393.db2.gz BUDNUVNVDACPMA-UHFFFAOYSA-N 1 2 265.317 -1.410 20 0 CAADLO C[C@H](C(=O)NC1CC1)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(N)=O)C2 ZINC001095955620 782378884 /nfs/dbraw/zinc/37/88/84/782378884.db2.gz OQPPKNPBXQXWQH-SNXWAXQRSA-N 1 2 294.355 -1.140 20 0 CAADLO C[C@H](C(=O)NC1CC1)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(N)=O)C2 ZINC001095955620 782378895 /nfs/dbraw/zinc/37/88/95/782378895.db2.gz OQPPKNPBXQXWQH-SNXWAXQRSA-N 1 2 294.355 -1.140 20 0 CAADLO CN(C(=O)[C@]1(C)CCC(=O)N1)C1C[NH+](CCO)C1 ZINC001043784429 782379940 /nfs/dbraw/zinc/37/99/40/782379940.db2.gz MFIQNBYUQRORSN-LBPRGKRZSA-N 1 2 255.318 -1.210 20 0 CAADLO CC[NH+]1CC(N(C)C(=O)c2c[nH]nc2S(N)(=O)=O)C1 ZINC001043820251 782381478 /nfs/dbraw/zinc/38/14/78/782381478.db2.gz MIDTVAQQLWLDLJ-UHFFFAOYSA-N 1 2 287.345 -1.167 20 0 CAADLO CN(C(=O)[C@H]1CC[C@@H](C(N)=O)O1)C1C[NH+](CCO)C1 ZINC001043853762 782382037 /nfs/dbraw/zinc/38/20/37/782382037.db2.gz XBUFNTWLEYPCOB-VHSXEESVSA-N 1 2 271.317 -1.846 20 0 CAADLO CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N(C)C1C[NH+](CCO)C1 ZINC001043884379 782382772 /nfs/dbraw/zinc/38/27/72/782382772.db2.gz AURKWHSYNJIWCM-MNOVXSKESA-N 1 2 269.345 -1.154 20 0 CAADLO CN(C(=O)c1ccc(C(N)=O)[nH]1)C1C[NH+](CCO)C1 ZINC001043881343 782382804 /nfs/dbraw/zinc/38/28/04/782382804.db2.gz WYOPUAOCAHOVTF-UHFFFAOYSA-N 1 2 266.301 -1.138 20 0 CAADLO C[C@@H](C(=O)N(C)C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(N)=O)C2 ZINC001095954566 782378752 /nfs/dbraw/zinc/37/87/52/782378752.db2.gz ZVPWTNBRAUTLFK-JXUBOQSCSA-N 1 2 282.344 -1.330 20 0 CAADLO C[C@@H](C(=O)N(C)C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(N)=O)C2 ZINC001095954566 782378760 /nfs/dbraw/zinc/37/87/60/782378760.db2.gz ZVPWTNBRAUTLFK-JXUBOQSCSA-N 1 2 282.344 -1.330 20 0 CAADLO CN(C(=O)c1cn(C)c(=O)n(C)c1=O)C1C[NH+](CCO)C1 ZINC001043995886 782386971 /nfs/dbraw/zinc/38/69/71/782386971.db2.gz JNUQPHHMXIANCJ-UHFFFAOYSA-N 1 2 296.327 -2.168 20 0 CAADLO CN(C(=O)C1CC(=O)NC(=O)C1)C1C[NH+](CCO)C1 ZINC001044049056 782387408 /nfs/dbraw/zinc/38/74/08/782387408.db2.gz NKWRYPVWRZXRRT-UHFFFAOYSA-N 1 2 269.301 -1.826 20 0 CAADLO CN(C(=O)C[C@H]1CCC(=O)N1)C1C[NH+](CCO)C1 ZINC001044045878 782387735 /nfs/dbraw/zinc/38/77/35/782387735.db2.gz PHGPARNACIXECY-SECBINFHSA-N 1 2 255.318 -1.210 20 0 CAADLO COCC[NH+]1CC(N(C)C(=O)CN2CC(=O)NC2=O)C1 ZINC001044063576 782388486 /nfs/dbraw/zinc/38/84/86/782388486.db2.gz MLVFRTWHPJBZLI-UHFFFAOYSA-N 1 2 284.316 -1.673 20 0 CAADLO C[C@@H](C(N)=O)N1CC(N(C)C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001044090349 782388893 /nfs/dbraw/zinc/38/88/93/782388893.db2.gz JJNKGNMJIRHZNK-QMMMGPOBSA-N 1 2 265.317 -1.031 20 0 CAADLO CN(C(=O)Cc1[nH]cc[nH+]1)C1CN([C@@H]2CCNC2=O)C1 ZINC001044091033 782388949 /nfs/dbraw/zinc/38/89/49/782388949.db2.gz UAQKIXLMFCYXDE-SNVBAGLBSA-N 1 2 277.328 -1.017 20 0 CAADLO CN(C(=O)CN1CC(=O)N(C)C1=O)C1C[NH+](CCO)C1 ZINC001044181895 782390433 /nfs/dbraw/zinc/39/04/33/782390433.db2.gz KTXBCMMZMIUACE-UHFFFAOYSA-N 1 2 284.316 -1.985 20 0 CAADLO CN(C(=O)CN1CCC(=O)NC1=O)C1C[NH+](CCO)C1 ZINC001044147549 782390479 /nfs/dbraw/zinc/39/04/79/782390479.db2.gz BBLJWWXSZUXYRK-UHFFFAOYSA-N 1 2 284.316 -1.937 20 0 CAADLO CC(=O)N1CC(O)(CNC(=O)CCn2cc[nH+]c2)C1 ZINC001044137202 782390992 /nfs/dbraw/zinc/39/09/92/782390992.db2.gz GSQNEDAXZKJHLV-UHFFFAOYSA-N 1 2 266.301 -1.017 20 0 CAADLO CN(C(=O)Cc1c[nH+]c[nH]1)C1CN([C@@H]2CCNC2=O)C1 ZINC001043978025 782384088 /nfs/dbraw/zinc/38/40/88/782384088.db2.gz NWWPDDUTNGNWJP-LLVKDONJSA-N 1 2 277.328 -1.017 20 0 CAADLO CN(C(=O)[C@H]1C[C@H]1C(N)=O)C1C[NH+](CCn2cncn2)C1 ZINC001043893361 782384268 /nfs/dbraw/zinc/38/42/68/782384268.db2.gz NFLBICGWNJYSMC-MNOVXSKESA-N 1 2 292.343 -1.458 20 0 CAADLO CN(C(=O)[C@H]1CCc2nnnn2CC1)C1C[NH+](CCO)C1 ZINC001043940160 782384572 /nfs/dbraw/zinc/38/45/72/782384572.db2.gz VFLIZCNRKNKPJD-JTQLQIEISA-N 1 2 294.359 -1.240 20 0 CAADLO C[C@@H](C(N)=O)N1CC(N(C)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001043975772 782385235 /nfs/dbraw/zinc/38/52/35/782385235.db2.gz FJAQRPYXQHTKQU-QMMMGPOBSA-N 1 2 265.317 -1.031 20 0 CAADLO CN(C(=O)CN1C(=O)C(=O)N(C)C1=O)C1C[NH+](CCO)C1 ZINC001043996635 782385975 /nfs/dbraw/zinc/38/59/75/782385975.db2.gz SQMFYEWIDFHKKK-UHFFFAOYSA-N 1 2 298.299 -2.458 20 0 CAADLO CC(C)c1nnnn1CC(=O)N(C)C1C[NH+](CCO)C1 ZINC001044023853 782386329 /nfs/dbraw/zinc/38/63/29/782386329.db2.gz AFQPUPCPGLDBJS-UHFFFAOYSA-N 1 2 282.348 -1.069 20 0 CAADLO COCC[NH+]1CC(N(C)C(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001043980691 782386528 /nfs/dbraw/zinc/38/65/28/782386528.db2.gz BCKQTYPFZZDPEC-VIFPVBQESA-N 1 2 284.316 -1.627 20 0 CAADLO COCC[NH+]1CC(N(C)C(=O)Cn2nc(C)n(C)c2=O)C1 ZINC001044245849 782393481 /nfs/dbraw/zinc/39/34/81/782393481.db2.gz DZPGTXDIXIYGBW-UHFFFAOYSA-N 1 2 297.359 -1.321 20 0 CAADLO Cc1ccc(=O)n(CC(=O)N(C)C2C[NH+](CCO)C2)n1 ZINC001044208721 782393598 /nfs/dbraw/zinc/39/35/98/782393598.db2.gz BDVHGKNQGFRSOD-UHFFFAOYSA-N 1 2 280.328 -1.313 20 0 CAADLO CN(C(=O)c1nccnc1C(N)=O)C1C[NH+](CCCO)C1 ZINC001044271870 782394073 /nfs/dbraw/zinc/39/40/73/782394073.db2.gz WCIOFKOWZGJEEW-UHFFFAOYSA-N 1 2 293.327 -1.286 20 0 CAADLO CN(C(=O)c1ccc(=O)n(C)n1)C1C[NH+](CCO)C1 ZINC001044268255 782394710 /nfs/dbraw/zinc/39/47/10/782394710.db2.gz SCRSXUIGKAVPII-UHFFFAOYSA-N 1 2 266.301 -1.471 20 0 CAADLO CN(C(=O)C1CCN(C(N)=O)CC1)C1C[NH+](CCO)C1 ZINC001044278634 782397076 /nfs/dbraw/zinc/39/70/76/782397076.db2.gz SFHFHENKAJYWMH-UHFFFAOYSA-N 1 2 284.360 -1.088 20 0 CAADLO CN(C(=O)[C@H]1CCC(=O)N(C)C1)C1C[NH+](CCO)C1 ZINC001044338363 782397547 /nfs/dbraw/zinc/39/75/47/782397547.db2.gz FZJKCOFSEWFQBZ-JTQLQIEISA-N 1 2 269.345 -1.010 20 0 CAADLO C[C@H](O)C[NH+]1CC(N(C)C(=O)c2cn(CC(N)=O)nn2)C1 ZINC001044334209 782397569 /nfs/dbraw/zinc/39/75/69/782397569.db2.gz HAJFZNKOZSNTFO-QMMMGPOBSA-N 1 2 296.331 -2.100 20 0 CAADLO COCC[NH+]1CC(N(C)C(=O)c2cn(CC(N)=O)nn2)C1 ZINC001044334667 782397835 /nfs/dbraw/zinc/39/78/35/782397835.db2.gz RNMZBHGDKOZGIH-UHFFFAOYSA-N 1 2 296.331 -1.834 20 0 CAADLO CN(C(=O)Cn1cc[nH+]c1)C1CN(CC(N)=O)C1 ZINC001044364705 782398116 /nfs/dbraw/zinc/39/81/16/782398116.db2.gz BLHJCJDGYYAILZ-UHFFFAOYSA-N 1 2 251.290 -1.489 20 0 CAADLO CN(C(=O)Cn1cc[nH+]c1)C1CN(Cc2nnnn2C)C1 ZINC001044365659 782398956 /nfs/dbraw/zinc/39/89/56/782398956.db2.gz YHHJLGRRQSVFIR-UHFFFAOYSA-N 1 2 290.331 -1.251 20 0 CAADLO C[C@H](C(N)=O)N1CC(N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC001044365638 782399039 /nfs/dbraw/zinc/39/90/39/782399039.db2.gz XQUWQNLLHFIIFA-SECBINFHSA-N 1 2 265.317 -1.101 20 0 CAADLO CN(C(=O)c1ccc(C(N)=O)nc1)C1C[NH+](CCO)C1 ZINC001044366922 782399062 /nfs/dbraw/zinc/39/90/62/782399062.db2.gz NSGVGGHWMQYZCK-UHFFFAOYSA-N 1 2 278.312 -1.071 20 0 CAADLO COc1c(=O)[nH]c(=O)[nH]c1C(=O)N(C)C1C[NH+](CCO)C1 ZINC001044181556 782391854 /nfs/dbraw/zinc/39/18/54/782391854.db2.gz AUPMMRDPMPBQQH-UHFFFAOYSA-N 1 2 298.299 -1.355 20 0 CAADLO CC(=O)N1CC[C@@H](C(=O)N(C)C2C[NH+](CCO)C2)C1 ZINC001044239405 782392405 /nfs/dbraw/zinc/39/24/05/782392405.db2.gz BUJKMFMWVHJSLH-LLVKDONJSA-N 1 2 269.345 -1.010 20 0 CAADLO C[C@H](C(N)=O)N1CC(N(C)C(=O)Cc2c[nH+]cn2C)C1 ZINC001044191587 782392482 /nfs/dbraw/zinc/39/24/82/782392482.db2.gz VFYNINLQDRRSSO-SECBINFHSA-N 1 2 279.344 -1.021 20 0 CAADLO C[C@@H](C(N)=O)N1CC(N(C)C(=O)Cc2c[nH+]cn2C)C1 ZINC001044191588 782392798 /nfs/dbraw/zinc/39/27/98/782392798.db2.gz VFYNINLQDRRSSO-VIFPVBQESA-N 1 2 279.344 -1.021 20 0 CAADLO CC(=O)N1CCO[C@H](C(=O)N(C)C2C[NH+](C[C@@H](C)O)C2)C1 ZINC001044248089 782393149 /nfs/dbraw/zinc/39/31/49/782393149.db2.gz CSPBCUAGQGNCJE-MFKMUULPSA-N 1 2 299.371 -1.243 20 0 CAADLO COCC[NH+]1CC(N(C)C(=O)C[C@@H]2CC(=O)NC2=O)C1 ZINC001044381244 782400220 /nfs/dbraw/zinc/40/02/20/782400220.db2.gz LBEFABCGBXEKLU-VIFPVBQESA-N 1 2 283.328 -1.172 20 0 CAADLO NC(=O)C(=O)N1CC(O)(CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001045281934 782415147 /nfs/dbraw/zinc/41/51/47/782415147.db2.gz RFBUASIEUPHSDE-UHFFFAOYSA-N 1 2 281.272 -2.873 20 0 CAADLO CO[C@H](C)C(=O)N1CC(O)(CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001045276978 782415392 /nfs/dbraw/zinc/41/53/92/782415392.db2.gz CCQGKEIALHGKHZ-SECBINFHSA-N 1 2 296.327 -1.323 20 0 CAADLO Cc1nonc1C[NH2+]C[C@@H]1CCCN1C(=O)C(N)=O ZINC001045178013 782413542 /nfs/dbraw/zinc/41/35/42/782413542.db2.gz WJPDLHPFXMLEGA-QMMMGPOBSA-N 1 2 267.289 -1.056 20 0 CAADLO NC(=O)C(=O)N1CCC[C@H]1C[NH2+]Cc1cnon1 ZINC001045176495 782413730 /nfs/dbraw/zinc/41/37/30/782413730.db2.gz JMKDGIQHVVEEFL-QMMMGPOBSA-N 1 2 253.262 -1.365 20 0 CAADLO O=C(Cc1ncn[nH]1)N1CCC[C@H]1C[NH2+][C@H]1CCNC1=O ZINC001045270713 782414741 /nfs/dbraw/zinc/41/47/41/782414741.db2.gz WEYDVSWBAYIJGD-UWVGGRQHSA-N 1 2 292.343 -1.184 20 0 CAADLO COCCC(=O)N1CC(O)(CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001045281229 782414930 /nfs/dbraw/zinc/41/49/30/782414930.db2.gz AJYJSRVTQKSYBI-UHFFFAOYSA-N 1 2 296.327 -1.322 20 0 CAADLO CC1(NC(=O)c2cn[nH]n2)CC[NH+](CC(N)=O)CC1 ZINC001045489545 782417458 /nfs/dbraw/zinc/41/74/58/782417458.db2.gz ITUGIUPGGTVHKN-UHFFFAOYSA-N 1 2 266.305 -1.126 20 0 CAADLO CC1(NC(=O)c2cnn[nH]2)CC[NH+](CC(N)=O)CC1 ZINC001045489545 782417467 /nfs/dbraw/zinc/41/74/67/782417467.db2.gz ITUGIUPGGTVHKN-UHFFFAOYSA-N 1 2 266.305 -1.126 20 0 CAADLO CNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[C@H]1C(N)=O)C2 ZINC001096024072 782415886 /nfs/dbraw/zinc/41/58/86/782415886.db2.gz TWYAWAQQDJBRAU-UVOCVTCTSA-N 1 2 294.355 -1.425 20 0 CAADLO CNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[C@H]1C(N)=O)C2 ZINC001096024072 782415889 /nfs/dbraw/zinc/41/58/89/782415889.db2.gz TWYAWAQQDJBRAU-UVOCVTCTSA-N 1 2 294.355 -1.425 20 0 CAADLO NC(=O)C(=O)NCC1(O)CN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001045513094 782421687 /nfs/dbraw/zinc/42/16/87/782421687.db2.gz CHRUSKQQZGKEOL-UHFFFAOYSA-N 1 2 281.272 -2.873 20 0 CAADLO Cc1c(C(=O)N[C@]2(C)CC[N@H+](CC(N)=O)C2)nnn1C ZINC001046204917 782433318 /nfs/dbraw/zinc/43/33/18/782433318.db2.gz HSHJQGVJPPGSKI-GFCCVEGCSA-N 1 2 280.332 -1.197 20 0 CAADLO Cc1c(C(=O)N[C@]2(C)CC[N@@H+](CC(N)=O)C2)nnn1C ZINC001046204917 782433324 /nfs/dbraw/zinc/43/33/24/782433324.db2.gz HSHJQGVJPPGSKI-GFCCVEGCSA-N 1 2 280.332 -1.197 20 0 CAADLO C[C@@]1(NC(=O)[C@@H]2COCCO2)CC[N@H+](CC(N)=O)C1 ZINC001046152538 782434751 /nfs/dbraw/zinc/43/47/51/782434751.db2.gz KWFPILQYBJWWCY-JOYOIKCWSA-N 1 2 271.317 -1.532 20 0 CAADLO C[C@@]1(NC(=O)[C@@H]2COCCO2)CC[N@@H+](CC(N)=O)C1 ZINC001046152538 782434758 /nfs/dbraw/zinc/43/47/58/782434758.db2.gz KWFPILQYBJWWCY-JOYOIKCWSA-N 1 2 271.317 -1.532 20 0 CAADLO C[C@@]1(NC(=O)[C@H]2COCCO2)CC[N@H+](CC(N)=O)C1 ZINC001046152536 782434639 /nfs/dbraw/zinc/43/46/39/782434639.db2.gz KWFPILQYBJWWCY-BXKDBHETSA-N 1 2 271.317 -1.532 20 0 CAADLO C[C@@]1(NC(=O)[C@H]2COCCO2)CC[N@@H+](CC(N)=O)C1 ZINC001046152536 782434646 /nfs/dbraw/zinc/43/46/46/782434646.db2.gz KWFPILQYBJWWCY-BXKDBHETSA-N 1 2 271.317 -1.532 20 0 CAADLO C[C@@]1(NC(=O)c2cc[n+]([O-])cc2)CC[N@H+](CC(N)=O)C1 ZINC001046124645 782434680 /nfs/dbraw/zinc/43/46/80/782434680.db2.gz JPWSTGMDWXHBDP-CYBMUJFWSA-N 1 2 278.312 -1.001 20 0 CAADLO C[C@@]1(NC(=O)c2cc[n+]([O-])cc2)CC[N@@H+](CC(N)=O)C1 ZINC001046124645 782434685 /nfs/dbraw/zinc/43/46/85/782434685.db2.gz JPWSTGMDWXHBDP-CYBMUJFWSA-N 1 2 278.312 -1.001 20 0 CAADLO C[C@]1(NC(=O)c2cc3n(n2)CCO3)CC[N@H+](CC(N)=O)C1 ZINC001046382524 782438332 /nfs/dbraw/zinc/43/83/32/782438332.db2.gz UTNHTTWIYGXOOX-ZDUSSCGKSA-N 1 2 293.327 -1.045 20 0 CAADLO C[C@]1(NC(=O)c2cc3n(n2)CCO3)CC[N@@H+](CC(N)=O)C1 ZINC001046382524 782438336 /nfs/dbraw/zinc/43/83/36/782438336.db2.gz UTNHTTWIYGXOOX-ZDUSSCGKSA-N 1 2 293.327 -1.045 20 0 CAADLO C[C@@H]1OCCO[C@@H]1C(=O)N[C@@]1(C)CC[N@H+](CC(N)=O)C1 ZINC001046386562 782438436 /nfs/dbraw/zinc/43/84/36/782438436.db2.gz FJCGAMKHOCSCNE-GAFUQQFSSA-N 1 2 285.344 -1.144 20 0 CAADLO C[C@@H]1OCCO[C@@H]1C(=O)N[C@@]1(C)CC[N@@H+](CC(N)=O)C1 ZINC001046386562 782438442 /nfs/dbraw/zinc/43/84/42/782438442.db2.gz FJCGAMKHOCSCNE-GAFUQQFSSA-N 1 2 285.344 -1.144 20 0 CAADLO CCn1nncc1C(=O)N[C@]1(C)CC[N@H+](CC(N)=O)C1 ZINC001046290628 782436164 /nfs/dbraw/zinc/43/61/64/782436164.db2.gz FNRPXGPXVYGOJD-GFCCVEGCSA-N 1 2 280.332 -1.023 20 0 CAADLO CCn1nncc1C(=O)N[C@]1(C)CC[N@@H+](CC(N)=O)C1 ZINC001046290628 782436168 /nfs/dbraw/zinc/43/61/68/782436168.db2.gz FNRPXGPXVYGOJD-GFCCVEGCSA-N 1 2 280.332 -1.023 20 0 CAADLO Cn1cc(C(=O)N[C@]2(C)CC[N@H+](CC(N)=O)C2)nn1 ZINC001046291525 782436384 /nfs/dbraw/zinc/43/63/84/782436384.db2.gz CMCNLGDZDBCVBS-LLVKDONJSA-N 1 2 266.305 -1.505 20 0 CAADLO Cn1cc(C(=O)N[C@]2(C)CC[N@@H+](CC(N)=O)C2)nn1 ZINC001046291525 782436386 /nfs/dbraw/zinc/43/63/86/782436386.db2.gz CMCNLGDZDBCVBS-LLVKDONJSA-N 1 2 266.305 -1.505 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@](C)(NC(=O)c2ncn(C)n2)C1 ZINC001046285350 782436504 /nfs/dbraw/zinc/43/65/04/782436504.db2.gz GGNFUXQVHQVITM-LBPRGKRZSA-N 1 2 280.332 -1.245 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@](C)(NC(=O)c2ncn(C)n2)C1 ZINC001046285350 782436509 /nfs/dbraw/zinc/43/65/09/782436509.db2.gz GGNFUXQVHQVITM-LBPRGKRZSA-N 1 2 280.332 -1.245 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CC[C@@](C)(NC(=O)c2ncn(C)n2)C1 ZINC001046297013 782436520 /nfs/dbraw/zinc/43/65/20/782436520.db2.gz WYYXTAIXRAVKQE-PRHODGIISA-N 1 2 280.332 -1.117 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CC[C@@](C)(NC(=O)c2ncn(C)n2)C1 ZINC001046297013 782436525 /nfs/dbraw/zinc/43/65/25/782436525.db2.gz WYYXTAIXRAVKQE-PRHODGIISA-N 1 2 280.332 -1.117 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CC[C@](C)(NC(=O)c2ncn(C)n2)C1 ZINC001046297012 782436598 /nfs/dbraw/zinc/43/65/98/782436598.db2.gz WYYXTAIXRAVKQE-PELKAZGASA-N 1 2 280.332 -1.117 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CC[C@](C)(NC(=O)c2ncn(C)n2)C1 ZINC001046297012 782436604 /nfs/dbraw/zinc/43/66/04/782436604.db2.gz WYYXTAIXRAVKQE-PELKAZGASA-N 1 2 280.332 -1.117 20 0 CAADLO CCn1nncc1C(=O)N[C@@]1(C)CC[N@H+](CC(N)=O)C1 ZINC001046290629 782436671 /nfs/dbraw/zinc/43/66/71/782436671.db2.gz FNRPXGPXVYGOJD-LBPRGKRZSA-N 1 2 280.332 -1.023 20 0 CAADLO CCn1nncc1C(=O)N[C@@]1(C)CC[N@@H+](CC(N)=O)C1 ZINC001046290629 782436676 /nfs/dbraw/zinc/43/66/76/782436676.db2.gz FNRPXGPXVYGOJD-LBPRGKRZSA-N 1 2 280.332 -1.023 20 0 CAADLO Cn1oc(C(=O)N[C@]2(C)CC[N@H+](CC(N)=O)C2)cc1=O ZINC001046274363 782437257 /nfs/dbraw/zinc/43/72/57/782437257.db2.gz IGVRTLZRSSNJRG-GFCCVEGCSA-N 1 2 282.300 -1.342 20 0 CAADLO Cn1oc(C(=O)N[C@]2(C)CC[N@@H+](CC(N)=O)C2)cc1=O ZINC001046274363 782437281 /nfs/dbraw/zinc/43/72/81/782437281.db2.gz IGVRTLZRSSNJRG-GFCCVEGCSA-N 1 2 282.300 -1.342 20 0 CAADLO C[C@@]1(NC(=O)c2cnon2)CC[N@H+](CC(N)=O)C1 ZINC001046716690 782445195 /nfs/dbraw/zinc/44/51/95/782445195.db2.gz MJZWQWAEUWGCSK-SNVBAGLBSA-N 1 2 253.262 -1.251 20 0 CAADLO C[C@@]1(NC(=O)c2cnon2)CC[N@@H+](CC(N)=O)C1 ZINC001046716690 782445202 /nfs/dbraw/zinc/44/52/02/782445202.db2.gz MJZWQWAEUWGCSK-SNVBAGLBSA-N 1 2 253.262 -1.251 20 0 CAADLO C[C@@]1(NC(=O)c2cc3n(n2)CCO3)CC[N@H+](CC(N)=O)C1 ZINC001046382523 782439654 /nfs/dbraw/zinc/43/96/54/782439654.db2.gz UTNHTTWIYGXOOX-CYBMUJFWSA-N 1 2 293.327 -1.045 20 0 CAADLO C[C@@]1(NC(=O)c2cc3n(n2)CCO3)CC[N@@H+](CC(N)=O)C1 ZINC001046382523 782439659 /nfs/dbraw/zinc/43/96/59/782439659.db2.gz UTNHTTWIYGXOOX-CYBMUJFWSA-N 1 2 293.327 -1.045 20 0 CAADLO Cc1nn[nH]c1C(=O)N[C@]1(C)CC[N@H+](CC(N)=O)C1 ZINC001046531307 782441508 /nfs/dbraw/zinc/44/15/08/782441508.db2.gz MSZJOHDGZFAGEC-LLVKDONJSA-N 1 2 266.305 -1.207 20 0 CAADLO Cc1nn[nH]c1C(=O)N[C@]1(C)CC[N@@H+](CC(N)=O)C1 ZINC001046531307 782441520 /nfs/dbraw/zinc/44/15/20/782441520.db2.gz MSZJOHDGZFAGEC-LLVKDONJSA-N 1 2 266.305 -1.207 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CC[C@](C)(NC(=O)c2nnn(C)n2)C1 ZINC001046548551 782442349 /nfs/dbraw/zinc/44/23/49/782442349.db2.gz QMDAGUFOFHTZLP-HQJQHLMTSA-N 1 2 281.320 -1.722 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CC[C@](C)(NC(=O)c2nnn(C)n2)C1 ZINC001046548551 782442352 /nfs/dbraw/zinc/44/23/52/782442352.db2.gz QMDAGUFOFHTZLP-HQJQHLMTSA-N 1 2 281.320 -1.722 20 0 CAADLO CC(=O)N(C)[C@H]1C[N@H+](C[C@@H]2CCS(=O)(=O)C2)C[C@@H]1O ZINC001047271031 782453714 /nfs/dbraw/zinc/45/37/14/782453714.db2.gz AOZFJZDESOGAJB-SRVKXCTJSA-N 1 2 290.385 -1.056 20 0 CAADLO CC(=O)N(C)[C@H]1C[N@@H+](C[C@@H]2CCS(=O)(=O)C2)C[C@@H]1O ZINC001047271031 782453716 /nfs/dbraw/zinc/45/37/16/782453716.db2.gz AOZFJZDESOGAJB-SRVKXCTJSA-N 1 2 290.385 -1.056 20 0 CAADLO CNC(=O)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C2CC2)C1 ZINC001047273335 782453918 /nfs/dbraw/zinc/45/39/18/782453918.db2.gz NNORWJLWRDCUQK-UWVGGRQHSA-N 1 2 255.318 -1.354 20 0 CAADLO CNC(=O)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C2CC2)C1 ZINC001047273335 782453924 /nfs/dbraw/zinc/45/39/24/782453924.db2.gz NNORWJLWRDCUQK-UWVGGRQHSA-N 1 2 255.318 -1.354 20 0 CAADLO C[C@]1(NC(=O)c2cc(C(N)=O)c[nH]2)CC[N@H+](CC(N)=O)C1 ZINC001046734232 782446361 /nfs/dbraw/zinc/44/63/61/782446361.db2.gz MXMPHCBSFQBRJX-ZDUSSCGKSA-N 1 2 293.327 -1.207 20 0 CAADLO C[C@]1(NC(=O)c2cc(C(N)=O)c[nH]2)CC[N@@H+](CC(N)=O)C1 ZINC001046734232 782446370 /nfs/dbraw/zinc/44/63/70/782446370.db2.gz MXMPHCBSFQBRJX-ZDUSSCGKSA-N 1 2 293.327 -1.207 20 0 CAADLO CNC(=O)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C2CCOCC2)C1 ZINC001047278162 782454007 /nfs/dbraw/zinc/45/40/07/782454007.db2.gz KYXWBQIPPFKPSG-RYUDHWBXSA-N 1 2 299.371 -1.338 20 0 CAADLO CNC(=O)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C2CCOCC2)C1 ZINC001047278162 782454015 /nfs/dbraw/zinc/45/40/15/782454015.db2.gz KYXWBQIPPFKPSG-RYUDHWBXSA-N 1 2 299.371 -1.338 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@](C)(NC(=O)c2cnn(C)n2)C1 ZINC001046700033 782446862 /nfs/dbraw/zinc/44/68/62/782446862.db2.gz WAVFUZNOSZTYHI-LBPRGKRZSA-N 1 2 280.332 -1.245 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@](C)(NC(=O)c2cnn(C)n2)C1 ZINC001046700033 782446867 /nfs/dbraw/zinc/44/68/67/782446867.db2.gz WAVFUZNOSZTYHI-LBPRGKRZSA-N 1 2 280.332 -1.245 20 0 CAADLO CCn1cc(C(=O)N[C@@]2(C)CC[N@H+](CC(N)=O)C2)nn1 ZINC001046735037 782446883 /nfs/dbraw/zinc/44/68/83/782446883.db2.gz GJFJNMZZXSFCQQ-LBPRGKRZSA-N 1 2 280.332 -1.023 20 0 CAADLO CCn1cc(C(=O)N[C@@]2(C)CC[N@@H+](CC(N)=O)C2)nn1 ZINC001046735037 782446886 /nfs/dbraw/zinc/44/68/86/782446886.db2.gz GJFJNMZZXSFCQQ-LBPRGKRZSA-N 1 2 280.332 -1.023 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C2CCOCC2)C1 ZINC001047277543 782454591 /nfs/dbraw/zinc/45/45/91/782454591.db2.gz XXVCCTYAKYAPDK-USWWRNFRSA-N 1 2 299.371 -1.210 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C2CCOCC2)C1 ZINC001047277543 782454595 /nfs/dbraw/zinc/45/45/95/782454595.db2.gz XXVCCTYAKYAPDK-USWWRNFRSA-N 1 2 299.371 -1.210 20 0 CAADLO NC(=O)C(=O)N1CC(O)(CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001047176808 782451579 /nfs/dbraw/zinc/45/15/79/782451579.db2.gz HXBAQNVAAQCKQA-UHFFFAOYSA-N 1 2 281.272 -2.873 20 0 CAADLO CCOCC(=O)N1CC(O)(CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001047169084 782451668 /nfs/dbraw/zinc/45/16/68/782451668.db2.gz XUCABKDANZTDFY-UHFFFAOYSA-N 1 2 296.327 -1.322 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C2CC2)C1 ZINC001047273080 782453487 /nfs/dbraw/zinc/45/34/87/782453487.db2.gz KMORCYAXOQQMEJ-JEZHCXPESA-N 1 2 255.318 -1.226 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C2CC2)C1 ZINC001047273080 782453495 /nfs/dbraw/zinc/45/34/95/782453495.db2.gz KMORCYAXOQQMEJ-JEZHCXPESA-N 1 2 255.318 -1.226 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2cccn2)C1 ZINC001047302274 782456503 /nfs/dbraw/zinc/45/65/03/782456503.db2.gz JVPQIJNLGDWQLC-DCAQKATOSA-N 1 2 295.343 -1.740 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2cccn2)C1 ZINC001047302274 782456509 /nfs/dbraw/zinc/45/65/09/782456509.db2.gz JVPQIJNLGDWQLC-DCAQKATOSA-N 1 2 295.343 -1.740 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C2=COCCO2)C1 ZINC001047290576 782456988 /nfs/dbraw/zinc/45/69/88/782456988.db2.gz ARSJLBKXSNPFQV-UTLUCORTSA-N 1 2 299.327 -1.748 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C2=COCCO2)C1 ZINC001047290576 782456993 /nfs/dbraw/zinc/45/69/93/782456993.db2.gz ARSJLBKXSNPFQV-UTLUCORTSA-N 1 2 299.327 -1.748 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cn[nH]c2)C1 ZINC001047311768 782457457 /nfs/dbraw/zinc/45/74/57/782457457.db2.gz DFIDAOKSIWVZIS-JEZHCXPESA-N 1 2 281.316 -1.599 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cn[nH]c2)C1 ZINC001047311768 782457462 /nfs/dbraw/zinc/45/74/62/782457462.db2.gz DFIDAOKSIWVZIS-JEZHCXPESA-N 1 2 281.316 -1.599 20 0 CAADLO CC[C@H](C(N)=O)[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc[nH]n2)C1 ZINC001047312380 782457983 /nfs/dbraw/zinc/45/79/83/782457983.db2.gz UEVPBFMSOZHVFL-VWYCJHECSA-N 1 2 295.343 -1.209 20 0 CAADLO CC[C@H](C(N)=O)[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc[nH]n2)C1 ZINC001047312380 782457988 /nfs/dbraw/zinc/45/79/88/782457988.db2.gz UEVPBFMSOZHVFL-VWYCJHECSA-N 1 2 295.343 -1.209 20 0 CAADLO CC[C@H](C(N)=O)[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccn[nH]2)C1 ZINC001047312380 782457997 /nfs/dbraw/zinc/45/79/97/782457997.db2.gz UEVPBFMSOZHVFL-VWYCJHECSA-N 1 2 295.343 -1.209 20 0 CAADLO CC[C@H](C(N)=O)[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccn[nH]2)C1 ZINC001047312380 782458000 /nfs/dbraw/zinc/45/80/00/782458000.db2.gz UEVPBFMSOZHVFL-VWYCJHECSA-N 1 2 295.343 -1.209 20 0 CAADLO CN(C(=O)c1cn[nH]c1)[C@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@@H]1O ZINC001047311691 782458029 /nfs/dbraw/zinc/45/80/29/782458029.db2.gz ASXDWEUXOYSNQL-DCAQKATOSA-N 1 2 293.327 -1.585 20 0 CAADLO CN(C(=O)c1cn[nH]c1)[C@H]1C[N@H+]([C@H]2CCNC2=O)C[C@@H]1O ZINC001047311691 782458033 /nfs/dbraw/zinc/45/80/33/782458033.db2.gz ASXDWEUXOYSNQL-DCAQKATOSA-N 1 2 293.327 -1.585 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cn[nH]c2)C1 ZINC001047311767 782458051 /nfs/dbraw/zinc/45/80/51/782458051.db2.gz DFIDAOKSIWVZIS-HGNGGELXSA-N 1 2 281.316 -1.599 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cn[nH]c2)C1 ZINC001047311767 782458054 /nfs/dbraw/zinc/45/80/54/782458054.db2.gz DFIDAOKSIWVZIS-HGNGGELXSA-N 1 2 281.316 -1.599 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cn[nH]c2)C1 ZINC001047312239 782458459 /nfs/dbraw/zinc/45/84/59/782458459.db2.gz PZUMNDNKHYKNNZ-LSJOCFKGSA-N 1 2 295.343 -1.339 20 0 CAADLO CNC(=O)[C@H](C)[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cn[nH]c2)C1 ZINC001047312239 782458467 /nfs/dbraw/zinc/45/84/67/782458467.db2.gz PZUMNDNKHYKNNZ-LSJOCFKGSA-N 1 2 295.343 -1.339 20 0 CAADLO CN(C(=O)c1cnns1)[C@H]1C[N@H+](CCO)C[C@@H]1O ZINC001047310879 782458973 /nfs/dbraw/zinc/45/89/73/782458973.db2.gz AFYKQIWMEBEKFY-YUMQZZPRSA-N 1 2 272.330 -1.353 20 0 CAADLO CN(C(=O)c1cnns1)[C@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001047310879 782458980 /nfs/dbraw/zinc/45/89/80/782458980.db2.gz AFYKQIWMEBEKFY-YUMQZZPRSA-N 1 2 272.330 -1.353 20 0 CAADLO CNC(=O)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C2=COCCC2)C1 ZINC001047318255 782459848 /nfs/dbraw/zinc/45/98/48/782459848.db2.gz LDFRYTPVNFHSAB-RYUDHWBXSA-N 1 2 297.355 -1.070 20 0 CAADLO CNC(=O)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C2=COCCC2)C1 ZINC001047318255 782459857 /nfs/dbraw/zinc/45/98/57/782459857.db2.gz LDFRYTPVNFHSAB-RYUDHWBXSA-N 1 2 297.355 -1.070 20 0 CAADLO CNC(=O)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2ccon2)C1 ZINC001047325655 782460068 /nfs/dbraw/zinc/46/00/68/782460068.db2.gz HBWNTTCZGXCQQQ-QWRGUYRKSA-N 1 2 296.327 -1.533 20 0 CAADLO CNC(=O)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2ccon2)C1 ZINC001047325655 782460076 /nfs/dbraw/zinc/46/00/76/782460076.db2.gz HBWNTTCZGXCQQQ-QWRGUYRKSA-N 1 2 296.327 -1.533 20 0 CAADLO CN(C)C(=O)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCOC2)C1 ZINC001047322283 782460530 /nfs/dbraw/zinc/46/05/30/782460530.db2.gz NPDOUVLNIJIREW-SRVKXCTJSA-N 1 2 299.371 -1.385 20 0 CAADLO CN(C)C(=O)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCOC2)C1 ZINC001047322283 782460532 /nfs/dbraw/zinc/46/05/32/782460532.db2.gz NPDOUVLNIJIREW-SRVKXCTJSA-N 1 2 299.371 -1.385 20 0 CAADLO Cc1ncc(C(=O)N(C)[C@H]2C[N@H+](CCO)C[C@@H]2O)[nH]1 ZINC001047328317 782460870 /nfs/dbraw/zinc/46/08/70/782460870.db2.gz KLRUDRVTXVKIRD-QWRGUYRKSA-N 1 2 268.317 -1.172 20 0 CAADLO Cc1ncc(C(=O)N(C)[C@H]2C[N@@H+](CCO)C[C@@H]2O)[nH]1 ZINC001047328317 782460876 /nfs/dbraw/zinc/46/08/76/782460876.db2.gz KLRUDRVTXVKIRD-QWRGUYRKSA-N 1 2 268.317 -1.172 20 0 CAADLO Cc1nc(C(=O)N(C)[C@H]2C[N@H+]([C@@H](C)C(N)=O)C[C@@H]2O)c[nH]1 ZINC001047326808 782461003 /nfs/dbraw/zinc/46/10/03/782461003.db2.gz XGIZZNJLXSPLLP-SWPVVBRQSA-N 1 2 295.343 -1.291 20 0 CAADLO Cc1nc(C(=O)N(C)[C@H]2C[N@@H+]([C@@H](C)C(N)=O)C[C@@H]2O)c[nH]1 ZINC001047326808 782461008 /nfs/dbraw/zinc/46/10/08/782461008.db2.gz XGIZZNJLXSPLLP-SWPVVBRQSA-N 1 2 295.343 -1.291 20 0 CAADLO CNC(=O)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCOC2)C1 ZINC001047321653 782461336 /nfs/dbraw/zinc/46/13/36/782461336.db2.gz HWCIIGCFEYCIFZ-VWYCJHECSA-N 1 2 285.344 -1.728 20 0 CAADLO CNC(=O)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCOC2)C1 ZINC001047321653 782461339 /nfs/dbraw/zinc/46/13/39/782461339.db2.gz HWCIIGCFEYCIFZ-VWYCJHECSA-N 1 2 285.344 -1.728 20 0 CAADLO CNC(=O)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCOC2)C1 ZINC001047318435 782461392 /nfs/dbraw/zinc/46/13/92/782461392.db2.gz SFIVILFDHSPRCD-WOPDTQHZSA-N 1 2 299.371 -1.338 20 0 CAADLO CNC(=O)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCOC2)C1 ZINC001047318435 782461394 /nfs/dbraw/zinc/46/13/94/782461394.db2.gz SFIVILFDHSPRCD-WOPDTQHZSA-N 1 2 299.371 -1.338 20 0 CAADLO CC(=O)N(C)[C@H]1C[N@H+](CC(=O)NC2CC2)C[C@@H]1O ZINC001047269513 782454665 /nfs/dbraw/zinc/45/46/65/782454665.db2.gz IUVLOLFNHSNWEB-QWRGUYRKSA-N 1 2 255.318 -1.212 20 0 CAADLO CC(=O)N(C)[C@H]1C[N@@H+](CC(=O)NC2CC2)C[C@@H]1O ZINC001047269513 782454667 /nfs/dbraw/zinc/45/46/67/782454667.db2.gz IUVLOLFNHSNWEB-QWRGUYRKSA-N 1 2 255.318 -1.212 20 0 CAADLO CN(C)C(=O)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C2CC2)C1 ZINC001047272333 782454696 /nfs/dbraw/zinc/45/46/96/782454696.db2.gz DYAWDHADPDNDJK-QWRGUYRKSA-N 1 2 269.345 -1.012 20 0 CAADLO CN(C)C(=O)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C2CC2)C1 ZINC001047272333 782454698 /nfs/dbraw/zinc/45/46/98/782454698.db2.gz DYAWDHADPDNDJK-QWRGUYRKSA-N 1 2 269.345 -1.012 20 0 CAADLO CCC(=O)N(C)[C@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@@H]1O ZINC001047270715 782454820 /nfs/dbraw/zinc/45/48/20/782454820.db2.gz QJJHREMUEAZPSZ-UTLUCORTSA-N 1 2 255.318 -1.212 20 0 CAADLO CCC(=O)N(C)[C@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@@H]1O ZINC001047270715 782454821 /nfs/dbraw/zinc/45/48/21/782454821.db2.gz QJJHREMUEAZPSZ-UTLUCORTSA-N 1 2 255.318 -1.212 20 0 CAADLO CNC(=O)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccn(C)c2)C1 ZINC001047346837 782464064 /nfs/dbraw/zinc/46/40/64/782464064.db2.gz BZOWDYXMXKMECF-RYUDHWBXSA-N 1 2 294.355 -1.112 20 0 CAADLO CNC(=O)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccn(C)c2)C1 ZINC001047346837 782464074 /nfs/dbraw/zinc/46/40/74/782464074.db2.gz BZOWDYXMXKMECF-RYUDHWBXSA-N 1 2 294.355 -1.112 20 0 CAADLO Cc1cc(CC(=O)N(C)[C@H]2C[N@H+](CC(N)=O)C[C@@H]2O)[nH]n1 ZINC001047343868 782464202 /nfs/dbraw/zinc/46/42/02/782464202.db2.gz UFSKACXPFLHXGV-QWRGUYRKSA-N 1 2 295.343 -1.751 20 0 CAADLO Cc1cc(CC(=O)N(C)[C@H]2C[N@@H+](CC(N)=O)C[C@@H]2O)[nH]n1 ZINC001047343868 782464206 /nfs/dbraw/zinc/46/42/06/782464206.db2.gz UFSKACXPFLHXGV-QWRGUYRKSA-N 1 2 295.343 -1.751 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCO2)C1 ZINC001047354059 782464799 /nfs/dbraw/zinc/46/47/99/782464799.db2.gz UVTNZIGNKZYSAY-NAKRPEOUSA-N 1 2 285.344 -1.457 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCO2)C1 ZINC001047354059 782464802 /nfs/dbraw/zinc/46/48/02/782464802.db2.gz UVTNZIGNKZYSAY-NAKRPEOUSA-N 1 2 285.344 -1.457 20 0 CAADLO CN(C(=O)CN1CN=NC1=O)[C@H]1C[N@H+](CCF)C[C@@H]1O ZINC001047354362 782465125 /nfs/dbraw/zinc/46/51/25/782465125.db2.gz DDRLNVUVVSNJDE-IUCAKERBSA-N 1 2 287.295 -1.543 20 0 CAADLO CN(C(=O)CN1CN=NC1=O)[C@H]1C[N@@H+](CCF)C[C@@H]1O ZINC001047354362 782465129 /nfs/dbraw/zinc/46/51/29/782465129.db2.gz DDRLNVUVVSNJDE-IUCAKERBSA-N 1 2 287.295 -1.543 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCO2)C1 ZINC001047354060 782466161 /nfs/dbraw/zinc/46/61/61/782466161.db2.gz UVTNZIGNKZYSAY-RCWTZXSCSA-N 1 2 285.344 -1.457 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCO2)C1 ZINC001047354060 782466163 /nfs/dbraw/zinc/46/61/63/782466163.db2.gz UVTNZIGNKZYSAY-RCWTZXSCSA-N 1 2 285.344 -1.457 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCO2)C1 ZINC001047354351 782466185 /nfs/dbraw/zinc/46/61/85/782466185.db2.gz CTAIWBMPIVMCMQ-RHYQMDGZSA-N 1 2 299.371 -1.197 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCO2)C1 ZINC001047354351 782466193 /nfs/dbraw/zinc/46/61/93/782466193.db2.gz CTAIWBMPIVMCMQ-RHYQMDGZSA-N 1 2 299.371 -1.197 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2cc[nH]n2)C1 ZINC001047331622 782462361 /nfs/dbraw/zinc/46/23/61/782462361.db2.gz JAIQJPUXXUDGDU-MIMYLULJSA-N 1 2 295.343 -1.671 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2cc[nH]n2)C1 ZINC001047331622 782462373 /nfs/dbraw/zinc/46/23/73/782462373.db2.gz JAIQJPUXXUDGDU-MIMYLULJSA-N 1 2 295.343 -1.671 20 0 CAADLO CN(C(=O)[C@@H]1CCNC(=O)C1)[C@H]1C[N@H+](CCF)C[C@@H]1O ZINC001047345178 782462495 /nfs/dbraw/zinc/46/24/95/782462495.db2.gz KQSLLMCVZKTXAV-VWYCJHECSA-N 1 2 287.335 -1.014 20 0 CAADLO CN(C(=O)[C@@H]1CCNC(=O)C1)[C@H]1C[N@@H+](CCF)C[C@@H]1O ZINC001047345178 782462499 /nfs/dbraw/zinc/46/24/99/782462499.db2.gz KQSLLMCVZKTXAV-VWYCJHECSA-N 1 2 287.335 -1.014 20 0 CAADLO CN(C(=O)[C@H]1CCNC(=O)C1)[C@H]1C[N@H+](CCF)C[C@@H]1O ZINC001047345177 782462555 /nfs/dbraw/zinc/46/25/55/782462555.db2.gz KQSLLMCVZKTXAV-DCAQKATOSA-N 1 2 287.335 -1.014 20 0 CAADLO CN(C(=O)[C@H]1CCNC(=O)C1)[C@H]1C[N@@H+](CCF)C[C@@H]1O ZINC001047345177 782462558 /nfs/dbraw/zinc/46/25/58/782462558.db2.gz KQSLLMCVZKTXAV-DCAQKATOSA-N 1 2 287.335 -1.014 20 0 CAADLO CN(C(=O)CN1CCOCC1)[C@H]1C[N@H+](CCF)C[C@@H]1O ZINC001047351076 782462943 /nfs/dbraw/zinc/46/29/43/782462943.db2.gz XPIAHFXNDYVQAN-RYUDHWBXSA-N 1 2 289.351 -1.208 20 0 CAADLO CN(C(=O)CN1CCOCC1)[C@H]1C[N@@H+](CCF)C[C@@H]1O ZINC001047351076 782462951 /nfs/dbraw/zinc/46/29/51/782462951.db2.gz XPIAHFXNDYVQAN-RYUDHWBXSA-N 1 2 289.351 -1.208 20 0 CAADLO CNC(=O)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[C@H]2CCOC2)C1 ZINC001047329769 782463101 /nfs/dbraw/zinc/46/31/01/782463101.db2.gz BNWAIUSGINCLOZ-WOPDTQHZSA-N 1 2 299.371 -1.338 20 0 CAADLO CNC(=O)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[C@H]2CCOC2)C1 ZINC001047329769 782463107 /nfs/dbraw/zinc/46/31/07/782463107.db2.gz BNWAIUSGINCLOZ-WOPDTQHZSA-N 1 2 299.371 -1.338 20 0 CAADLO CNC(=O)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2cc[nH]n2)C1 ZINC001047332414 782463201 /nfs/dbraw/zinc/46/32/01/782463201.db2.gz UYEBRYFNSWLZMQ-QWRGUYRKSA-N 1 2 295.343 -1.798 20 0 CAADLO CNC(=O)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2cc[nH]n2)C1 ZINC001047332414 782463214 /nfs/dbraw/zinc/46/32/14/782463214.db2.gz UYEBRYFNSWLZMQ-QWRGUYRKSA-N 1 2 295.343 -1.798 20 0 CAADLO CN(C(=O)c1cc(=O)n(C)cn1)[C@H]1C[N@H+](CCF)C[C@@H]1O ZINC001047414106 782474924 /nfs/dbraw/zinc/47/49/24/782474924.db2.gz XWRQWFSBQRQVLN-QWRGUYRKSA-N 1 2 298.318 -1.133 20 0 CAADLO CN(C(=O)c1cc(=O)n(C)cn1)[C@H]1C[N@@H+](CCF)C[C@@H]1O ZINC001047414106 782474929 /nfs/dbraw/zinc/47/49/29/782474929.db2.gz XWRQWFSBQRQVLN-QWRGUYRKSA-N 1 2 298.318 -1.133 20 0 CAADLO CN(C(=O)[C@H]1CCCNC1=O)[C@H]1C[N@H+](CCF)C[C@@H]1O ZINC001047416990 782475504 /nfs/dbraw/zinc/47/55/04/782475504.db2.gz ISLYPFJGUSZHDF-DCAQKATOSA-N 1 2 287.335 -1.014 20 0 CAADLO CN(C(=O)[C@H]1CCCNC1=O)[C@H]1C[N@@H+](CCF)C[C@@H]1O ZINC001047416990 782475511 /nfs/dbraw/zinc/47/55/11/782475511.db2.gz ISLYPFJGUSZHDF-DCAQKATOSA-N 1 2 287.335 -1.014 20 0 CAADLO CN(C(=O)c1ncc[nH]1)[C@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@@H]1O ZINC001047375520 782469372 /nfs/dbraw/zinc/46/93/72/782469372.db2.gz WZUCKLCZMOSYOK-UTLUCORTSA-N 1 2 293.327 -1.585 20 0 CAADLO CN(C(=O)c1ncc[nH]1)[C@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@@H]1O ZINC001047375520 782469374 /nfs/dbraw/zinc/46/93/74/782469374.db2.gz WZUCKLCZMOSYOK-UTLUCORTSA-N 1 2 293.327 -1.585 20 0 CAADLO CC[C@H](C(N)=O)[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ncc[nH]2)C1 ZINC001047375716 782469461 /nfs/dbraw/zinc/46/94/61/782469461.db2.gz GPKHGLUGCFLBOQ-UTLUCORTSA-N 1 2 295.343 -1.209 20 0 CAADLO CC[C@H](C(N)=O)[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ncc[nH]2)C1 ZINC001047375716 782469470 /nfs/dbraw/zinc/46/94/70/782469470.db2.gz GPKHGLUGCFLBOQ-UTLUCORTSA-N 1 2 295.343 -1.209 20 0 CAADLO CN(C(=O)[C@@H]1CCCNC1=O)[C@H]1C[N@H+](CCF)C[C@@H]1O ZINC001047416991 782475746 /nfs/dbraw/zinc/47/57/46/782475746.db2.gz ISLYPFJGUSZHDF-VWYCJHECSA-N 1 2 287.335 -1.014 20 0 CAADLO CN(C(=O)[C@@H]1CCCNC1=O)[C@H]1C[N@@H+](CCF)C[C@@H]1O ZINC001047416991 782475752 /nfs/dbraw/zinc/47/57/52/782475752.db2.gz ISLYPFJGUSZHDF-VWYCJHECSA-N 1 2 287.335 -1.014 20 0 CAADLO CNC(=O)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C2CC(OC)C2)C1 ZINC001047419122 782475770 /nfs/dbraw/zinc/47/57/70/782475770.db2.gz HBLLKUCAOHMLOE-QQFIATSDSA-N 1 2 299.371 -1.339 20 0 CAADLO CNC(=O)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C2CC(OC)C2)C1 ZINC001047419122 782475776 /nfs/dbraw/zinc/47/57/76/782475776.db2.gz HBLLKUCAOHMLOE-QQFIATSDSA-N 1 2 299.371 -1.339 20 0 CAADLO CN(C(=O)[C@H]1CC(=O)N(C)C1)[C@H]1C[N@H+](CCF)C[C@@H]1O ZINC001047402267 782471934 /nfs/dbraw/zinc/47/19/34/782471934.db2.gz NMWMTTHCAWMWIS-DCAQKATOSA-N 1 2 287.335 -1.062 20 0 CAADLO CN(C(=O)[C@H]1CC(=O)N(C)C1)[C@H]1C[N@@H+](CCF)C[C@@H]1O ZINC001047402267 782471939 /nfs/dbraw/zinc/47/19/39/782471939.db2.gz NMWMTTHCAWMWIS-DCAQKATOSA-N 1 2 287.335 -1.062 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCOC2)C1 ZINC001047396989 782472396 /nfs/dbraw/zinc/47/23/96/782472396.db2.gz ILWKIZAUVXXQGG-NAKRPEOUSA-N 1 2 285.344 -1.600 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCOC2)C1 ZINC001047396989 782472406 /nfs/dbraw/zinc/47/24/06/782472406.db2.gz ILWKIZAUVXXQGG-NAKRPEOUSA-N 1 2 285.344 -1.600 20 0 CAADLO CC[C@@H](C(N)=O)[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCOC2)C1 ZINC001047400670 782472423 /nfs/dbraw/zinc/47/24/23/782472423.db2.gz HVLYNUIIRDCXJL-BJDJZHNGSA-N 1 2 299.371 -1.210 20 0 CAADLO CC[C@@H](C(N)=O)[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCOC2)C1 ZINC001047400670 782472427 /nfs/dbraw/zinc/47/24/27/782472427.db2.gz HVLYNUIIRDCXJL-BJDJZHNGSA-N 1 2 299.371 -1.210 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCOC2)C1 ZINC001047400963 782472463 /nfs/dbraw/zinc/47/24/63/782472463.db2.gz SNZHIHQCAVFBCM-RHYQMDGZSA-N 1 2 299.371 -1.339 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCOC2)C1 ZINC001047400963 782472465 /nfs/dbraw/zinc/47/24/65/782472465.db2.gz SNZHIHQCAVFBCM-RHYQMDGZSA-N 1 2 299.371 -1.339 20 0 CAADLO CN(C(=O)[C@H]1CCNC1=O)[C@H]1C[N@H+](CCF)C[C@@H]1O ZINC001047482957 782481117 /nfs/dbraw/zinc/48/11/17/782481117.db2.gz QKFPPVSUTQSWRG-GUBZILKMSA-N 1 2 273.308 -1.405 20 0 CAADLO CN(C(=O)[C@H]1CCNC1=O)[C@H]1C[N@@H+](CCF)C[C@@H]1O ZINC001047482957 782481118 /nfs/dbraw/zinc/48/11/18/782481118.db2.gz QKFPPVSUTQSWRG-GUBZILKMSA-N 1 2 273.308 -1.405 20 0 CAADLO CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCS(=O)(=O)C2)C1 ZINC001047450454 782477529 /nfs/dbraw/zinc/47/75/29/782477529.db2.gz XBMHYUVNUZHECY-DCAQKATOSA-N 1 2 290.385 -1.056 20 0 CAADLO CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCS(=O)(=O)C2)C1 ZINC001047450454 782477535 /nfs/dbraw/zinc/47/75/35/782477535.db2.gz XBMHYUVNUZHECY-DCAQKATOSA-N 1 2 290.385 -1.056 20 0 CAADLO CN(C(=O)c1cn(C)c(=O)cn1)[C@H]1C[N@H+](CCF)C[C@@H]1O ZINC001047462724 782478074 /nfs/dbraw/zinc/47/80/74/782478074.db2.gz KDCWRSMKMPYLCE-QWRGUYRKSA-N 1 2 298.318 -1.133 20 0 CAADLO CN(C(=O)c1cn(C)c(=O)cn1)[C@H]1C[N@@H+](CCF)C[C@@H]1O ZINC001047462724 782478079 /nfs/dbraw/zinc/47/80/79/782478079.db2.gz KDCWRSMKMPYLCE-QWRGUYRKSA-N 1 2 298.318 -1.133 20 0 CAADLO CN(C(=O)[C@@H]1CCC(=O)NC1)[C@H]1C[N@H+](CCF)C[C@@H]1O ZINC001047439867 782478720 /nfs/dbraw/zinc/47/87/20/782478720.db2.gz VDHKATJZPMPJMT-VWYCJHECSA-N 1 2 287.335 -1.014 20 0 CAADLO CN(C(=O)[C@@H]1CCC(=O)NC1)[C@H]1C[N@@H+](CCF)C[C@@H]1O ZINC001047439867 782478725 /nfs/dbraw/zinc/47/87/25/782478725.db2.gz VDHKATJZPMPJMT-VWYCJHECSA-N 1 2 287.335 -1.014 20 0 CAADLO CN(C(=O)[C@H]1CN(C)C(=O)N1)[C@H]1C[N@H+](CCF)C[C@@H]1O ZINC001047487246 782483938 /nfs/dbraw/zinc/48/39/38/782483938.db2.gz XJNOKSJIOXEYSA-UTLUCORTSA-N 1 2 288.323 -1.517 20 0 CAADLO CN(C(=O)[C@H]1CN(C)C(=O)N1)[C@H]1C[N@@H+](CCF)C[C@@H]1O ZINC001047487246 782483942 /nfs/dbraw/zinc/48/39/42/782483942.db2.gz XJNOKSJIOXEYSA-UTLUCORTSA-N 1 2 288.323 -1.517 20 0 CAADLO CN(C(=O)[C@@H]1CCN(C)C1=O)[C@H]1C[N@H+](CCF)C[C@@H]1O ZINC001047493902 782483994 /nfs/dbraw/zinc/48/39/94/782483994.db2.gz AOUBMJHSCDACCW-VWYCJHECSA-N 1 2 287.335 -1.062 20 0 CAADLO CN(C(=O)[C@@H]1CCN(C)C1=O)[C@H]1C[N@@H+](CCF)C[C@@H]1O ZINC001047493902 782483997 /nfs/dbraw/zinc/48/39/97/782483997.db2.gz AOUBMJHSCDACCW-VWYCJHECSA-N 1 2 287.335 -1.062 20 0 CAADLO CN(C(=O)C(N)=O)[C@H]1C[N@@H+]([C@H]2CCCN(C)C2=O)C[C@@H]1O ZINC001047510382 782487078 /nfs/dbraw/zinc/48/70/78/782487078.db2.gz MUQWBFRPLFGAHM-GUBZILKMSA-N 1 2 298.343 -2.404 20 0 CAADLO CN(C(=O)C(N)=O)[C@H]1C[N@H+]([C@H]2CCCN(C)C2=O)C[C@@H]1O ZINC001047510382 782487083 /nfs/dbraw/zinc/48/70/83/782487083.db2.gz MUQWBFRPLFGAHM-GUBZILKMSA-N 1 2 298.343 -2.404 20 0 CAADLO CN(C(=O)C(N)=O)[C@H]1C[N@H+](Cc2ccccn2)C[C@@H]1O ZINC001047507155 782484452 /nfs/dbraw/zinc/48/44/52/782484452.db2.gz QFOJYDAHYJJEQO-QWRGUYRKSA-N 1 2 278.312 -1.430 20 0 CAADLO CN(C(=O)C(N)=O)[C@H]1C[N@@H+](Cc2ccccn2)C[C@@H]1O ZINC001047507155 782484458 /nfs/dbraw/zinc/48/44/58/782484458.db2.gz QFOJYDAHYJJEQO-QWRGUYRKSA-N 1 2 278.312 -1.430 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2cnoc2)C1 ZINC001047499066 782484792 /nfs/dbraw/zinc/48/47/92/782484792.db2.gz WBVGSZIEXSEAJP-MIMYLULJSA-N 1 2 296.327 -1.406 20 0 CAADLO CN(C(=O)C(N)=O)[C@H]1C[N@@H+]([C@H]2CCCNC2=O)C[C@@H]1O ZINC001047507539 782487392 /nfs/dbraw/zinc/48/73/92/782487392.db2.gz ZYTRIZAGANEOGA-CIUDSAMLSA-N 1 2 284.316 -2.746 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2cnoc2)C1 ZINC001047499066 782484799 /nfs/dbraw/zinc/48/47/99/782484799.db2.gz WBVGSZIEXSEAJP-MIMYLULJSA-N 1 2 296.327 -1.406 20 0 CAADLO CN(C(=O)C(N)=O)[C@H]1C[N@H+]([C@H]2CCCNC2=O)C[C@@H]1O ZINC001047507539 782487397 /nfs/dbraw/zinc/48/73/97/782487397.db2.gz ZYTRIZAGANEOGA-CIUDSAMLSA-N 1 2 284.316 -2.746 20 0 CAADLO CC[C@H](C(N)=O)[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C(N)=O)C1 ZINC001047510848 782487171 /nfs/dbraw/zinc/48/71/71/782487171.db2.gz GALURRLWOGNPRQ-CSMHCCOUSA-N 1 2 272.305 -2.761 20 0 CAADLO CC[C@H](C(N)=O)[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C(N)=O)C1 ZINC001047510848 782487178 /nfs/dbraw/zinc/48/71/78/782487178.db2.gz GALURRLWOGNPRQ-CSMHCCOUSA-N 1 2 272.305 -2.761 20 0 CAADLO Cc1ncc(C[N@@H+]2C[C@H](O)[C@@H](N(C)C(=O)C(N)=O)C2)s1 ZINC001047506916 782485528 /nfs/dbraw/zinc/48/55/28/782485528.db2.gz KVGOERMFZUJMOQ-UWVGGRQHSA-N 1 2 298.368 -1.060 20 0 CAADLO Cc1ncc(C[N@H+]2C[C@H](O)[C@@H](N(C)C(=O)C(N)=O)C2)s1 ZINC001047506916 782485532 /nfs/dbraw/zinc/48/55/32/782485532.db2.gz KVGOERMFZUJMOQ-UWVGGRQHSA-N 1 2 298.368 -1.060 20 0 CAADLO CN(C(=O)C(N)=O)[C@H]1CN(Cc2c[nH+]cn2C)C[C@@H]1O ZINC001047506837 782485999 /nfs/dbraw/zinc/48/59/99/782485999.db2.gz GGMZXEWKKZSJLG-UWVGGRQHSA-N 1 2 281.316 -2.091 20 0 CAADLO C[C@H](C(=O)NC1CC1)[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C(N)=O)C1 ZINC001047511032 782486722 /nfs/dbraw/zinc/48/67/22/782486722.db2.gz KNDRASVFHRXDIG-JEZHCXPESA-N 1 2 298.343 -2.358 20 0 CAADLO C[C@H](C(=O)NC1CC1)[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C(N)=O)C1 ZINC001047511032 782486726 /nfs/dbraw/zinc/48/67/26/782486726.db2.gz KNDRASVFHRXDIG-JEZHCXPESA-N 1 2 298.343 -2.358 20 0 CAADLO CN(C(=O)C(N)=O)[C@H]1C[N@@H+]([C@@H]2CCCN(C)C2=O)C[C@@H]1O ZINC001047510385 782486754 /nfs/dbraw/zinc/48/67/54/782486754.db2.gz MUQWBFRPLFGAHM-UTLUCORTSA-N 1 2 298.343 -2.404 20 0 CAADLO CN(C(=O)C(N)=O)[C@H]1C[N@H+]([C@@H]2CCCN(C)C2=O)C[C@@H]1O ZINC001047510385 782486757 /nfs/dbraw/zinc/48/67/57/782486757.db2.gz MUQWBFRPLFGAHM-UTLUCORTSA-N 1 2 298.343 -2.404 20 0 CAADLO CN(C(=O)[C@@H]1CN(C)C(=O)N1)[C@H]1C[N@H+](CCF)C[C@@H]1O ZINC001047487245 782482251 /nfs/dbraw/zinc/48/22/51/782482251.db2.gz XJNOKSJIOXEYSA-GUBZILKMSA-N 1 2 288.323 -1.517 20 0 CAADLO CN(C(=O)[C@@H]1CN(C)C(=O)N1)[C@H]1C[N@@H+](CCF)C[C@@H]1O ZINC001047487245 782482258 /nfs/dbraw/zinc/48/22/58/782482258.db2.gz XJNOKSJIOXEYSA-GUBZILKMSA-N 1 2 288.323 -1.517 20 0 CAADLO CN(C(=O)C(N)=O)[C@H]1C[N@H+](C/C=C/Cl)C[C@@H]1O ZINC001047511170 782489026 /nfs/dbraw/zinc/48/90/26/782489026.db2.gz PNQGOEHMNIHDPU-HZIBQTDNSA-N 1 2 261.709 -1.272 20 0 CAADLO CN(C(=O)C(N)=O)[C@H]1C[N@@H+](C/C=C/Cl)C[C@@H]1O ZINC001047511170 782489029 /nfs/dbraw/zinc/48/90/29/782489029.db2.gz PNQGOEHMNIHDPU-HZIBQTDNSA-N 1 2 261.709 -1.272 20 0 CAADLO Cc1oncc1C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C(N)=O)C1 ZINC001047510416 782487835 /nfs/dbraw/zinc/48/78/35/782487835.db2.gz NHLMOZNZNCYWBJ-UWVGGRQHSA-N 1 2 282.300 -1.528 20 0 CAADLO Cc1oncc1C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C(N)=O)C1 ZINC001047510416 782487838 /nfs/dbraw/zinc/48/78/38/782487838.db2.gz NHLMOZNZNCYWBJ-UWVGGRQHSA-N 1 2 282.300 -1.528 20 0 CAADLO CN(C(=O)CC1=CCOCC1)[C@H]1C[N@H+](CC(N)=O)C[C@@H]1O ZINC001047515821 782489939 /nfs/dbraw/zinc/48/99/39/782489939.db2.gz MJEGOKYPVAKRKZ-RYUDHWBXSA-N 1 2 297.355 -1.288 20 0 CAADLO CN(C(=O)CC1=CCOCC1)[C@H]1C[N@@H+](CC(N)=O)C[C@@H]1O ZINC001047515821 782489944 /nfs/dbraw/zinc/48/99/44/782489944.db2.gz MJEGOKYPVAKRKZ-RYUDHWBXSA-N 1 2 297.355 -1.288 20 0 CAADLO CC[C@@H](C(N)=O)[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnon2)C1 ZINC001047573398 782495416 /nfs/dbraw/zinc/49/54/16/782495416.db2.gz JJWJYRNBDXQWPS-GUBZILKMSA-N 1 2 297.315 -1.549 20 0 CAADLO CC[C@@H](C(N)=O)[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnon2)C1 ZINC001047573398 782495422 /nfs/dbraw/zinc/49/54/22/782495422.db2.gz JJWJYRNBDXQWPS-GUBZILKMSA-N 1 2 297.315 -1.549 20 0 CAADLO C[C@@H](O)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2ncn[nH]2)C1 ZINC001047590172 782496306 /nfs/dbraw/zinc/49/63/06/782496306.db2.gz ZGNMJJXHBAJAML-UTLUCORTSA-N 1 2 283.332 -1.769 20 0 CAADLO C[C@@H](O)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2ncn[nH]2)C1 ZINC001047590172 782496309 /nfs/dbraw/zinc/49/63/09/782496309.db2.gz ZGNMJJXHBAJAML-UTLUCORTSA-N 1 2 283.332 -1.769 20 0 CAADLO CN(C(=O)Cc1c[nH+]cn1C)[C@H]1CN(CC(N)=O)C[C@@H]1O ZINC001047597796 782496527 /nfs/dbraw/zinc/49/65/27/782496527.db2.gz FXFLXZOPKPGVGA-QWRGUYRKSA-N 1 2 295.343 -2.049 20 0 CAADLO CNC(=O)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2ncc[nH]2)C1 ZINC001047576390 782493648 /nfs/dbraw/zinc/49/36/48/782493648.db2.gz IPDUUBFFFVUFPD-UWVGGRQHSA-N 1 2 295.343 -1.798 20 0 CAADLO CNC(=O)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2ncc[nH]2)C1 ZINC001047576390 782493654 /nfs/dbraw/zinc/49/36/54/782493654.db2.gz IPDUUBFFFVUFPD-UWVGGRQHSA-N 1 2 295.343 -1.798 20 0 CAADLO CN(C(=O)[C@@H]1CCC(=O)N1)[C@H]1C[N@H+](CCF)C[C@@H]1O ZINC001047603503 782498098 /nfs/dbraw/zinc/49/80/98/782498098.db2.gz RHBQVARDVGCQPJ-GUBZILKMSA-N 1 2 273.308 -1.262 20 0 CAADLO CN(C(=O)[C@@H]1CCC(=O)N1)[C@H]1C[N@@H+](CCF)C[C@@H]1O ZINC001047603503 782498102 /nfs/dbraw/zinc/49/81/02/782498102.db2.gz RHBQVARDVGCQPJ-GUBZILKMSA-N 1 2 273.308 -1.262 20 0 CAADLO CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2ncn[nH]2)C1 ZINC001047592786 782498161 /nfs/dbraw/zinc/49/81/61/782498161.db2.gz IFYFKXMNMYTKKO-IUCAKERBSA-N 1 2 253.306 -1.129 20 0 CAADLO CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2ncn[nH]2)C1 ZINC001047592786 782498164 /nfs/dbraw/zinc/49/81/64/782498164.db2.gz IFYFKXMNMYTKKO-IUCAKERBSA-N 1 2 253.306 -1.129 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCC(=O)N2)C1 ZINC001047603281 782498301 /nfs/dbraw/zinc/49/83/01/782498301.db2.gz GFCGAUDWBXXNQQ-KATARQTJSA-N 1 2 298.343 -2.358 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCC(=O)N2)C1 ZINC001047603281 782498309 /nfs/dbraw/zinc/49/83/09/782498309.db2.gz GFCGAUDWBXXNQQ-KATARQTJSA-N 1 2 298.343 -2.358 20 0 CAADLO CN(C(=O)c1ccc(=O)n(C)n1)[C@H]1C[N@H+](CCF)C[C@@H]1O ZINC001047617872 782498793 /nfs/dbraw/zinc/49/87/93/782498793.db2.gz DKJFHDGYVPKEDD-QWRGUYRKSA-N 1 2 298.318 -1.133 20 0 CAADLO CN(C(=O)c1ccc(=O)n(C)n1)[C@H]1C[N@@H+](CCF)C[C@@H]1O ZINC001047617872 782498799 /nfs/dbraw/zinc/49/87/99/782498799.db2.gz DKJFHDGYVPKEDD-QWRGUYRKSA-N 1 2 298.318 -1.133 20 0 CAADLO CC[C@@H](C(N)=O)[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCO2)C1 ZINC001047640628 782498971 /nfs/dbraw/zinc/49/89/71/782498971.db2.gz YMGAVDDBCABXQD-FIQHERPVSA-N 1 2 299.371 -1.067 20 0 CAADLO CC[C@@H](C(N)=O)[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCO2)C1 ZINC001047640628 782498977 /nfs/dbraw/zinc/49/89/77/782498977.db2.gz YMGAVDDBCABXQD-FIQHERPVSA-N 1 2 299.371 -1.067 20 0 CAADLO CNC(=O)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2nnc[nH]2)C1 ZINC001047589931 782497785 /nfs/dbraw/zinc/49/77/85/782497785.db2.gz RWJAKMXTUMBOFZ-IUCAKERBSA-N 1 2 296.331 -2.403 20 0 CAADLO CNC(=O)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2nnc[nH]2)C1 ZINC001047589931 782497787 /nfs/dbraw/zinc/49/77/87/782497787.db2.gz RWJAKMXTUMBOFZ-IUCAKERBSA-N 1 2 296.331 -2.403 20 0 CAADLO CC[C@H](C(N)=O)[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCOC2)C1 ZINC001047585703 782497796 /nfs/dbraw/zinc/49/77/96/782497796.db2.gz HVLYNUIIRDCXJL-WYUUTHIRSA-N 1 2 299.371 -1.210 20 0 CAADLO CC[C@H](C(N)=O)[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCOC2)C1 ZINC001047585703 782497800 /nfs/dbraw/zinc/49/78/00/782497800.db2.gz HVLYNUIIRDCXJL-WYUUTHIRSA-N 1 2 299.371 -1.210 20 0 CAADLO COCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2ncn[nH]2)C1 ZINC001047589968 782497933 /nfs/dbraw/zinc/49/79/33/782497933.db2.gz VFZTVEWEWLRFCY-UWVGGRQHSA-N 1 2 283.332 -1.503 20 0 CAADLO COCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2ncn[nH]2)C1 ZINC001047589968 782497937 /nfs/dbraw/zinc/49/79/37/782497937.db2.gz VFZTVEWEWLRFCY-UWVGGRQHSA-N 1 2 283.332 -1.503 20 0 CAADLO Cc1[nH+]c[nH]c1CC(=O)N(C)[C@H]1CN(CC(N)=O)C[C@@H]1O ZINC001047611446 782500910 /nfs/dbraw/zinc/50/09/10/782500910.db2.gz FJQMBGWPUINWLU-QWRGUYRKSA-N 1 2 295.343 -1.751 20 0 CAADLO CNC(=O)CN1C[C@H](O)[C@@H](N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC001047647288 782502825 /nfs/dbraw/zinc/50/28/25/782502825.db2.gz SVDCJTUCLIZFPY-QWRGUYRKSA-N 1 2 295.343 -1.867 20 0 CAADLO COCC(=O)N(C)[C@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1O ZINC001048028227 782504829 /nfs/dbraw/zinc/50/48/29/782504829.db2.gz ZKXIBKULFMELBG-QWRGUYRKSA-N 1 2 296.327 -1.440 20 0 CAADLO Cc1nc[nH]c1C(=O)N(C)[C@H]1C[N@H+]([C@H](C)C(N)=O)C[C@@H]1O ZINC001047652641 782502026 /nfs/dbraw/zinc/50/20/26/782502026.db2.gz WIHXBACXJLXTJQ-UTLUCORTSA-N 1 2 295.343 -1.291 20 0 CAADLO Cc1nc[nH]c1C(=O)N(C)[C@H]1C[N@@H+]([C@H](C)C(N)=O)C[C@@H]1O ZINC001047652641 782502035 /nfs/dbraw/zinc/50/20/35/782502035.db2.gz WIHXBACXJLXTJQ-UTLUCORTSA-N 1 2 295.343 -1.291 20 0 CAADLO NC(=O)CC(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC001096277928 782505633 /nfs/dbraw/zinc/50/56/33/782505633.db2.gz KZNYSZNNNYJXAJ-UHFFFAOYSA-N 1 2 292.343 -1.410 20 0 CAADLO NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1nc[nH]n1)C2 ZINC001096308740 782507834 /nfs/dbraw/zinc/50/78/34/782507834.db2.gz WAHLESYPMSNKDV-VGMNWLOBSA-N 1 2 278.316 -1.446 20 0 CAADLO NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1nc[nH]n1)C2 ZINC001096308740 782507841 /nfs/dbraw/zinc/50/78/41/782507841.db2.gz WAHLESYPMSNKDV-VGMNWLOBSA-N 1 2 278.316 -1.446 20 0 CAADLO CNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC(=O)N1)C2 ZINC001096380351 782509018 /nfs/dbraw/zinc/50/90/18/782509018.db2.gz JWDSVYDEEKWDFO-RCWTZXSCSA-N 1 2 294.355 -1.268 20 0 CAADLO CNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC(=O)N1)C2 ZINC001096380351 782509022 /nfs/dbraw/zinc/50/90/22/782509022.db2.gz JWDSVYDEEKWDFO-RCWTZXSCSA-N 1 2 294.355 -1.268 20 0 CAADLO Cn1nnnc1C[N@H+]1C[C@H]2CN(C(=O)CC(N)=O)C[C@H]2C1 ZINC001048732800 782514842 /nfs/dbraw/zinc/51/48/42/782514842.db2.gz POVKYIMSDGCCRE-DTORHVGOSA-N 1 2 293.331 -2.024 20 0 CAADLO Cn1nnnc1C[N@@H+]1C[C@H]2CN(C(=O)CC(N)=O)C[C@H]2C1 ZINC001048732800 782514849 /nfs/dbraw/zinc/51/48/49/782514849.db2.gz POVKYIMSDGCCRE-DTORHVGOSA-N 1 2 293.331 -2.024 20 0 CAADLO NC(=O)C[N@@H+]1C[C@H]2CN(C(=O)CCc3nc[nH]n3)C[C@H]2C1 ZINC001048751480 782515828 /nfs/dbraw/zinc/51/58/28/782515828.db2.gz NENFWFJFHYBZIQ-AOOOYVTPSA-N 1 2 292.343 -1.387 20 0 CAADLO Cn1nnnc1C[N@H+]1C[C@H]2CN(C(=O)C(N)=O)C[C@H]2C1 ZINC001049020243 782524171 /nfs/dbraw/zinc/52/41/71/782524171.db2.gz AQFRRRVQEUOAAS-OCAPTIKFSA-N 1 2 279.304 -2.414 20 0 CAADLO Cn1nnnc1C[N@@H+]1C[C@H]2CN(C(=O)C(N)=O)C[C@H]2C1 ZINC001049020243 782524178 /nfs/dbraw/zinc/52/41/78/782524178.db2.gz AQFRRRVQEUOAAS-OCAPTIKFSA-N 1 2 279.304 -2.414 20 0 CAADLO NC(=O)C(=O)N1C[C@@H]2C[N@@H+](Cc3nncs3)C[C@@H]2C1 ZINC001049022422 782525761 /nfs/dbraw/zinc/52/57/61/782525761.db2.gz GGMDOTAACHEWOC-OCAPTIKFSA-N 1 2 281.341 -1.086 20 0 CAADLO NC(=O)C(=O)N1C[C@@H]2C[N@H+](Cc3nncs3)C[C@@H]2C1 ZINC001049022422 782525766 /nfs/dbraw/zinc/52/57/66/782525766.db2.gz GGMDOTAACHEWOC-OCAPTIKFSA-N 1 2 281.341 -1.086 20 0 CAADLO O=C(N[C@H]1CCC[N@@H+](CCO)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000384374109 782528546 /nfs/dbraw/zinc/52/85/46/782528546.db2.gz JGIPLFISQNZPCL-MNOVXSKESA-N 1 2 290.385 -1.006 20 0 CAADLO O=C(N[C@H]1CCC[N@H+](CCO)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000384374109 782528553 /nfs/dbraw/zinc/52/85/53/782528553.db2.gz JGIPLFISQNZPCL-MNOVXSKESA-N 1 2 290.385 -1.006 20 0 CAADLO NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1cncn1)C2 ZINC001096497844 782532306 /nfs/dbraw/zinc/53/23/06/782532306.db2.gz VTTYNJGGIJNYRE-UTLUCORTSA-N 1 2 278.316 -1.515 20 0 CAADLO NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1cncn1)C2 ZINC001096497844 782532320 /nfs/dbraw/zinc/53/23/20/782532320.db2.gz VTTYNJGGIJNYRE-UTLUCORTSA-N 1 2 278.316 -1.515 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1cn[nH]n1 ZINC001049570798 782537619 /nfs/dbraw/zinc/53/76/19/782537619.db2.gz PRQRVJTYWGRZRU-NXEZZACHSA-N 1 2 278.316 -1.031 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1cn[nH]n1 ZINC001049570798 782537623 /nfs/dbraw/zinc/53/76/23/782537623.db2.gz PRQRVJTYWGRZRU-NXEZZACHSA-N 1 2 278.316 -1.031 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C(N)=O ZINC001049683670 782538597 /nfs/dbraw/zinc/53/85/97/782538597.db2.gz PXAKWYZFSDOBQH-HTQZYQBOSA-N 1 2 254.290 -1.978 20 0 CAADLO Cn1nncc1C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C(N)=O ZINC001049692997 782538268 /nfs/dbraw/zinc/53/82/68/782538268.db2.gz WBKHRJOOFZSQHA-MNOVXSKESA-N 1 2 292.343 -1.134 20 0 CAADLO Cn1nncc1C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C(N)=O ZINC001049692997 782538278 /nfs/dbraw/zinc/53/82/78/782538278.db2.gz WBKHRJOOFZSQHA-MNOVXSKESA-N 1 2 292.343 -1.134 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C(N)=O ZINC001049683670 782538602 /nfs/dbraw/zinc/53/86/02/782538602.db2.gz PXAKWYZFSDOBQH-HTQZYQBOSA-N 1 2 254.290 -1.978 20 0 CAADLO CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N1CCNC(=O)C1 ZINC001096689256 782540528 /nfs/dbraw/zinc/54/05/28/782540528.db2.gz JSNKKGQXFKLKTR-UTUOFQBUSA-N 1 2 294.355 -1.314 20 0 CAADLO CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N1CCNC(=O)C1 ZINC001096689256 782540540 /nfs/dbraw/zinc/54/05/40/782540540.db2.gz JSNKKGQXFKLKTR-UTUOFQBUSA-N 1 2 294.355 -1.314 20 0 CAADLO NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1COCCO1)C2 ZINC001096826709 782542277 /nfs/dbraw/zinc/54/22/77/782542277.db2.gz RPEMTXRTCGIFKS-ZNSHCXBVSA-N 1 2 283.328 -1.391 20 0 CAADLO NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1COCCO1)C2 ZINC001096826709 782542281 /nfs/dbraw/zinc/54/22/81/782542281.db2.gz RPEMTXRTCGIFKS-ZNSHCXBVSA-N 1 2 283.328 -1.391 20 0 CAADLO C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CC(N)=O)C1 ZINC001096912259 782542460 /nfs/dbraw/zinc/54/24/60/782542460.db2.gz DGZXHIUVEWADEX-WISYIIOYSA-N 1 2 296.371 -1.476 20 0 CAADLO C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CC(N)=O)C1 ZINC001096912259 782542463 /nfs/dbraw/zinc/54/24/63/782542463.db2.gz DGZXHIUVEWADEX-WISYIIOYSA-N 1 2 296.371 -1.476 20 0 CAADLO CN1CCOC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(N)=O ZINC001096978746 782542906 /nfs/dbraw/zinc/54/29/06/782542906.db2.gz QKIQJYPTHUCECM-WYUUTHIRSA-N 1 2 296.371 -1.476 20 0 CAADLO CN1CCOC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(N)=O ZINC001096978746 782542911 /nfs/dbraw/zinc/54/29/11/782542911.db2.gz QKIQJYPTHUCECM-WYUUTHIRSA-N 1 2 296.371 -1.476 20 0 CAADLO CN1CCOC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(N)=O ZINC001096978743 782543599 /nfs/dbraw/zinc/54/35/99/782543599.db2.gz QKIQJYPTHUCECM-WISYIIOYSA-N 1 2 296.371 -1.476 20 0 CAADLO CN1CCOC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(N)=O ZINC001096978743 782543607 /nfs/dbraw/zinc/54/36/07/782543607.db2.gz QKIQJYPTHUCECM-WISYIIOYSA-N 1 2 296.371 -1.476 20 0 CAADLO NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1CCNC1=O)C2 ZINC001097213296 782544320 /nfs/dbraw/zinc/54/43/20/782544320.db2.gz JWIXNJPHKKMKLR-ZDCRXTMVSA-N 1 2 294.355 -1.281 20 0 CAADLO NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1CCNC1=O)C2 ZINC001097213296 782544328 /nfs/dbraw/zinc/54/43/28/782544328.db2.gz JWIXNJPHKKMKLR-ZDCRXTMVSA-N 1 2 294.355 -1.281 20 0 CAADLO NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1ncnn1)C2 ZINC001097081953 782545711 /nfs/dbraw/zinc/54/57/11/782545711.db2.gz XHBAMRPXYHMDKL-HLTSFMKQSA-N 1 2 279.304 -2.120 20 0 CAADLO NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1ncnn1)C2 ZINC001097081953 782545716 /nfs/dbraw/zinc/54/57/16/782545716.db2.gz XHBAMRPXYHMDKL-HLTSFMKQSA-N 1 2 279.304 -2.120 20 0 CAADLO NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCC(=O)N1)C2 ZINC001097287526 782546684 /nfs/dbraw/zinc/54/66/84/782546684.db2.gz FGPUFORMTOUTAF-DBIOUOCHSA-N 1 2 294.355 -1.138 20 0 CAADLO NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCC(=O)N1)C2 ZINC001097287526 782546689 /nfs/dbraw/zinc/54/66/89/782546689.db2.gz FGPUFORMTOUTAF-DBIOUOCHSA-N 1 2 294.355 -1.138 20 0 CAADLO C[C@@]1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(N)=O)CNC(=O)C1 ZINC001097574369 782547237 /nfs/dbraw/zinc/54/72/37/782547237.db2.gz BHUGJDYBMZPPSA-RBQUTUCGSA-N 1 2 294.355 -1.281 20 0 CAADLO C[C@@]1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(N)=O)CNC(=O)C1 ZINC001097574369 782547242 /nfs/dbraw/zinc/54/72/42/782547242.db2.gz BHUGJDYBMZPPSA-RBQUTUCGSA-N 1 2 294.355 -1.281 20 0 CAADLO NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCNC1=O)C2 ZINC001097640822 782548533 /nfs/dbraw/zinc/54/85/33/782548533.db2.gz UKZJFDVJPFGVJK-RGOKHQFPSA-N 1 2 280.328 -1.671 20 0 CAADLO NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCNC1=O)C2 ZINC001097640822 782548539 /nfs/dbraw/zinc/54/85/39/782548539.db2.gz UKZJFDVJPFGVJK-RGOKHQFPSA-N 1 2 280.328 -1.671 20 0 CAADLO NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCNC1=O)C2 ZINC001097264363 782548557 /nfs/dbraw/zinc/54/85/57/782548557.db2.gz REPCJOGQKSLCPQ-YTWAJWBKSA-N 1 2 294.355 -1.281 20 0 CAADLO NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCNC1=O)C2 ZINC001097264363 782548553 /nfs/dbraw/zinc/54/85/53/782548553.db2.gz REPCJOGQKSLCPQ-YTWAJWBKSA-N 1 2 294.355 -1.281 20 0 CAADLO CN(C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(N)=O)C2 ZINC001097764238 782549120 /nfs/dbraw/zinc/54/91/20/782549120.db2.gz FOJXHXWKGGWHQG-HLTSFMKQSA-N 1 2 268.317 -1.719 20 0 CAADLO CN(C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(N)=O)C2 ZINC001097764238 782549124 /nfs/dbraw/zinc/54/91/24/782549124.db2.gz FOJXHXWKGGWHQG-HLTSFMKQSA-N 1 2 268.317 -1.719 20 0 CAADLO NC(=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N1CCC1 ZINC001097764887 782549411 /nfs/dbraw/zinc/54/94/11/782549411.db2.gz OHXUQONTWSXZLG-BBBLOLIVSA-N 1 2 280.328 -1.575 20 0 CAADLO NC(=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N1CCC1 ZINC001097764887 782549417 /nfs/dbraw/zinc/54/94/17/782549417.db2.gz OHXUQONTWSXZLG-BBBLOLIVSA-N 1 2 280.328 -1.575 20 0 CAADLO NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CNC(=O)N1)C2 ZINC001097755413 782549353 /nfs/dbraw/zinc/54/93/53/782549353.db2.gz FGPABMRPFMYGQU-BGZDPUMWSA-N 1 2 281.316 -2.125 20 0 CAADLO NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CNC(=O)N1)C2 ZINC001097755413 782549359 /nfs/dbraw/zinc/54/93/59/782549359.db2.gz FGPABMRPFMYGQU-BGZDPUMWSA-N 1 2 281.316 -2.125 20 0 CAADLO CN1C(=O)CC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(N)=O ZINC001097700331 782549610 /nfs/dbraw/zinc/54/96/10/782549610.db2.gz CXHYRQBBNGZAPY-CHWFTXMASA-N 1 2 294.355 -1.186 20 0 CAADLO CN1C(=O)CC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(N)=O ZINC001097700331 782549604 /nfs/dbraw/zinc/54/96/04/782549604.db2.gz CXHYRQBBNGZAPY-CHWFTXMASA-N 1 2 294.355 -1.186 20 0 CAADLO NC(=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N1CCCC1 ZINC001097765014 782549711 /nfs/dbraw/zinc/54/97/11/782549711.db2.gz QTJITALWLRGBRY-MXWKQRLJSA-N 1 2 294.355 -1.184 20 0 CAADLO NC(=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N1CCCC1 ZINC001097765014 782549723 /nfs/dbraw/zinc/54/97/23/782549723.db2.gz QTJITALWLRGBRY-MXWKQRLJSA-N 1 2 294.355 -1.184 20 0 CAADLO NC(=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H]1CCNC1=O ZINC001097764262 782550048 /nfs/dbraw/zinc/55/00/48/782550048.db2.gz FVWANTZOHNJIDA-LURQLKTLSA-N 1 2 266.301 -1.918 20 0 CAADLO NC(=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H]1CCNC1=O ZINC001097764262 782550056 /nfs/dbraw/zinc/55/00/56/782550056.db2.gz FVWANTZOHNJIDA-LURQLKTLSA-N 1 2 266.301 -1.918 20 0 CAADLO NC(=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC1CC1 ZINC001097764936 782550255 /nfs/dbraw/zinc/55/02/55/782550255.db2.gz QBMSRMLDSWNWTE-BBBLOLIVSA-N 1 2 280.328 -1.528 20 0 CAADLO NC(=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC1CC1 ZINC001097764936 782550263 /nfs/dbraw/zinc/55/02/63/782550263.db2.gz QBMSRMLDSWNWTE-BBBLOLIVSA-N 1 2 280.328 -1.528 20 0 CAADLO NC(=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H]1CCC(=O)NC1=O ZINC001097764902 782550196 /nfs/dbraw/zinc/55/01/96/782550196.db2.gz ONJMTFUVVLQQEI-LURQLKTLSA-N 1 2 294.311 -2.002 20 0 CAADLO NC(=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H]1CCC(=O)NC1=O ZINC001097764902 782550201 /nfs/dbraw/zinc/55/02/01/782550201.db2.gz ONJMTFUVVLQQEI-LURQLKTLSA-N 1 2 294.311 -2.002 20 0 CAADLO CNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CNC(=O)N1)C2 ZINC001097753925 782550381 /nfs/dbraw/zinc/55/03/81/782550381.db2.gz NXBOFCIDNCFOED-IMSYWVGJSA-N 1 2 295.343 -1.865 20 0 CAADLO CNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CNC(=O)N1)C2 ZINC001097753925 782550392 /nfs/dbraw/zinc/55/03/92/782550392.db2.gz NXBOFCIDNCFOED-IMSYWVGJSA-N 1 2 295.343 -1.865 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(N)=O)C2 ZINC001097765504 782551373 /nfs/dbraw/zinc/55/13/73/782551373.db2.gz ZTELYZNROWCZCT-OSMVPFSASA-N 1 2 254.290 -1.933 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(N)=O)C2 ZINC001097765504 782551381 /nfs/dbraw/zinc/55/13/81/782551381.db2.gz ZTELYZNROWCZCT-OSMVPFSASA-N 1 2 254.290 -1.933 20 0 CAADLO C[C@@H](C(=O)NC1CC1)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(N)=O)C2 ZINC001097767858 782551936 /nfs/dbraw/zinc/55/19/36/782551936.db2.gz OQPPKNPBXQXWQH-IANFPDNMSA-N 1 2 294.355 -1.140 20 0 CAADLO C[C@@H](C(=O)NC1CC1)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(N)=O)C2 ZINC001097767858 782551941 /nfs/dbraw/zinc/55/19/41/782551941.db2.gz OQPPKNPBXQXWQH-IANFPDNMSA-N 1 2 294.355 -1.140 20 0 CAADLO Cn1ncnc1C[N@@H+]1CCC[C@@H](NC(=O)C(N)=O)CC1 ZINC001052672280 782552021 /nfs/dbraw/zinc/55/20/21/782552021.db2.gz OGMBFAWQPVBGIF-SECBINFHSA-N 1 2 280.332 -1.229 20 0 CAADLO CN1CC[C@@H]([N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)C(N)=O)C3)C1=O ZINC001097767850 782551964 /nfs/dbraw/zinc/55/19/64/782551964.db2.gz OKDLZSZWDJYCBM-DOLQZWNJSA-N 1 2 280.328 -1.576 20 0 CAADLO CN1CC[C@@H]([N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)C(N)=O)C3)C1=O ZINC001097767850 782551969 /nfs/dbraw/zinc/55/19/69/782551969.db2.gz OKDLZSZWDJYCBM-DOLQZWNJSA-N 1 2 280.328 -1.576 20 0 CAADLO Cn1ncc(C[N@@H+]2CCC[C@@H](NC(=O)C(N)=O)CC2)n1 ZINC001052672663 782552297 /nfs/dbraw/zinc/55/22/97/782552297.db2.gz UCEPJFZHZNVNGS-SECBINFHSA-N 1 2 280.332 -1.229 20 0 CAADLO Cn1ncc(C[N@H+]2CCC[C@@H](NC(=O)C(N)=O)CC2)n1 ZINC001052672663 782552301 /nfs/dbraw/zinc/55/23/01/782552301.db2.gz UCEPJFZHZNVNGS-SECBINFHSA-N 1 2 280.332 -1.229 20 0 CAADLO C[C@@]1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(N)=O)CCNC1=O ZINC001097837451 782552394 /nfs/dbraw/zinc/55/23/94/782552394.db2.gz LHKAINABLIJSDF-DLVJRCHESA-N 1 2 294.355 -1.281 20 0 CAADLO C[C@@]1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(N)=O)CCNC1=O ZINC001097837451 782552404 /nfs/dbraw/zinc/55/24/04/782552404.db2.gz LHKAINABLIJSDF-DLVJRCHESA-N 1 2 294.355 -1.281 20 0 CAADLO Cn1ncnc1C[N@H+]1CCC[C@@H](NC(=O)C(N)=O)CC1 ZINC001052672280 782552029 /nfs/dbraw/zinc/55/20/29/782552029.db2.gz OGMBFAWQPVBGIF-SECBINFHSA-N 1 2 280.332 -1.229 20 0 CAADLO CCN1CC[C@@H]([N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)C(N)=O)C3)C1=O ZINC001097766212 782552516 /nfs/dbraw/zinc/55/25/16/782552516.db2.gz LCNYEEJUEOWLOG-CHWFTXMASA-N 1 2 294.355 -1.186 20 0 CAADLO CCN1CC[C@@H]([N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)C(N)=O)C3)C1=O ZINC001097766212 782552526 /nfs/dbraw/zinc/55/25/26/782552526.db2.gz LCNYEEJUEOWLOG-CHWFTXMASA-N 1 2 294.355 -1.186 20 0 CAADLO Cn1cnnc1C[N@@H+]1CCC[C@@H](NC(=O)C(N)=O)CC1 ZINC001052672258 782552895 /nfs/dbraw/zinc/55/28/95/782552895.db2.gz OAXAOXKQWBFFIZ-SECBINFHSA-N 1 2 280.332 -1.229 20 0 CAADLO Cn1cnnc1C[N@H+]1CCC[C@@H](NC(=O)C(N)=O)CC1 ZINC001052672258 782552901 /nfs/dbraw/zinc/55/29/01/782552901.db2.gz OAXAOXKQWBFFIZ-SECBINFHSA-N 1 2 280.332 -1.229 20 0 CAADLO C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1CNC(=O)C(N)=O ZINC001052867444 782554263 /nfs/dbraw/zinc/55/42/63/782554263.db2.gz NKNPYECPOMWYBZ-ZJUUUORDSA-N 1 2 293.327 -1.421 20 0 CAADLO C[C@@H](c1nnnn1C)[N@@H+]1CCC[C@H](NC(=O)C(N)=O)CC1 ZINC001052673768 782554608 /nfs/dbraw/zinc/55/46/08/782554608.db2.gz CNRLGMBHMSRBTG-IUCAKERBSA-N 1 2 295.347 -1.273 20 0 CAADLO C[C@@H](c1nnnn1C)[N@H+]1CCC[C@H](NC(=O)C(N)=O)CC1 ZINC001052673768 782554613 /nfs/dbraw/zinc/55/46/13/782554613.db2.gz CNRLGMBHMSRBTG-IUCAKERBSA-N 1 2 295.347 -1.273 20 0 CAADLO C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1CNC(=O)C(N)=O ZINC001052867441 782554381 /nfs/dbraw/zinc/55/43/81/782554381.db2.gz NKNPYECPOMWYBZ-NXEZZACHSA-N 1 2 293.327 -1.421 20 0 CAADLO O=C(Cn1cnnn1)N1CCOC2(C[NH+](CCCF)C2)C1 ZINC001053149347 782556640 /nfs/dbraw/zinc/55/66/40/782556640.db2.gz KMALSCWNQFIQIM-UHFFFAOYSA-N 1 2 298.322 -1.054 20 0 CAADLO CC(C)[NH+]1CC2(C1)CN(C(=O)Cn1cnnn1)CCO2 ZINC001053149520 782557375 /nfs/dbraw/zinc/55/73/75/782557375.db2.gz NINAMLGEXUZFMY-UHFFFAOYSA-N 1 2 280.332 -1.005 20 0 CAADLO CC[NH+]1CC2(C1)CN(C(=O)CN1CN=NC1=O)CCO2 ZINC001053228256 782562114 /nfs/dbraw/zinc/56/21/14/782562114.db2.gz KFEJSJJIFMRGJY-UHFFFAOYSA-N 1 2 281.316 -1.083 20 0 CAADLO C[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1CNC(=O)C(N)=O ZINC001053267639 782562936 /nfs/dbraw/zinc/56/29/36/782562936.db2.gz LKUXGZZQYKRNJS-IUCAKERBSA-N 1 2 293.327 -1.352 20 0 CAADLO CC(C)[NH+]1CC2(C1)CN(C(=O)Cn1ncnn1)CCO2 ZINC001053257271 782563315 /nfs/dbraw/zinc/56/33/15/782563315.db2.gz NWGFGNCBNQVOGW-UHFFFAOYSA-N 1 2 280.332 -1.005 20 0 CAADLO CC[NH+]1CC2(C1)CN(C(=O)C[C@@H]1NC(=O)NC1=O)CCO2 ZINC001053291144 782564114 /nfs/dbraw/zinc/56/41/14/782564114.db2.gz APRACKRQQNPBKA-VIFPVBQESA-N 1 2 296.327 -1.482 20 0 CAADLO C[C@H]1CN(C(=O)C(N)=O)C[C@@H]1CNC(=O)Cc1c[nH]c[nH+]1 ZINC001053311310 782565279 /nfs/dbraw/zinc/56/52/79/782565279.db2.gz CSIMTSUAUJTYKN-IUCAKERBSA-N 1 2 293.327 -1.352 20 0 CAADLO C[C@@H]1CN(C(=O)C(N)=O)C[C@@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001053317841 782565764 /nfs/dbraw/zinc/56/57/64/782565764.db2.gz RAMZSNUINGBJAW-ZJUUUORDSA-N 1 2 293.327 -1.421 20 0 CAADLO CC[NH+]1CC2(C1)CN(C(=O)[C@H]1CNC(=O)N1)CCO2 ZINC001053402238 782568008 /nfs/dbraw/zinc/56/80/08/782568008.db2.gz IJQBAVRACCNERT-SECBINFHSA-N 1 2 268.317 -1.399 20 0 CAADLO NC(=O)C(=O)N1CCOC2(C[NH+](CCCO)C2)C1 ZINC001053402817 782568710 /nfs/dbraw/zinc/56/87/10/782568710.db2.gz FZDGNRXNRVLVSS-UHFFFAOYSA-N 1 2 257.290 -2.233 20 0 CAADLO CC[NH+]1CC2(C1)CN(C(=O)CN1CC(=O)NC1=O)CCO2 ZINC001053474136 782569589 /nfs/dbraw/zinc/56/95/89/782569589.db2.gz FKCVVRTWIMQMNV-UHFFFAOYSA-N 1 2 296.327 -1.529 20 0 CAADLO NC(=O)CN1CC2(C1)CN(C(=O)Cc1c[nH+]c[nH]1)CCO2 ZINC001053447195 782570490 /nfs/dbraw/zinc/57/04/90/782570490.db2.gz PFBORMABQJGAIA-UHFFFAOYSA-N 1 2 293.327 -1.649 20 0 CAADLO C[C@@H](C[N@H+](C)CCN(C)C(=O)C(N)=O)CS(C)(=O)=O ZINC001268247578 775387892 /nfs/dbraw/zinc/38/78/92/775387892.db2.gz QPKXQLYOQTWNEO-VIFPVBQESA-N 1 2 293.389 -1.457 20 0 CAADLO C[C@@H](C[N@@H+](C)CCN(C)C(=O)C(N)=O)CS(C)(=O)=O ZINC001268247578 775387901 /nfs/dbraw/zinc/38/79/01/775387901.db2.gz QPKXQLYOQTWNEO-VIFPVBQESA-N 1 2 293.389 -1.457 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)C(C)C)[C@@H](O)C1 ZINC001083344816 775441225 /nfs/dbraw/zinc/44/12/25/775441225.db2.gz HZRBYDIKPIQOGE-BBBLOLIVSA-N 1 2 257.334 -1.062 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)C(C)C)[C@@H](O)C1 ZINC001083344816 775441237 /nfs/dbraw/zinc/44/12/37/775441237.db2.gz HZRBYDIKPIQOGE-BBBLOLIVSA-N 1 2 257.334 -1.062 20 0 CAADLO COC[C@H](OC)C(=O)NCC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001133517614 776780753 /nfs/dbraw/zinc/78/07/53/776780753.db2.gz PQAPRVXFCFLWSG-QMMMGPOBSA-N 1 2 287.320 -2.024 20 0 CAADLO NC(=O)C(=O)NCC[NH2+]Cc1noc2c1COCC2 ZINC001133196019 776769645 /nfs/dbraw/zinc/76/96/45/776769645.db2.gz LAFXNXAKHYCAFT-UHFFFAOYSA-N 1 2 268.273 -1.562 20 0 CAADLO Cn1cc(Cl)c(C[NH2+]CCNC(=O)C(N)=O)n1 ZINC001133195379 776769695 /nfs/dbraw/zinc/76/96/95/776769695.db2.gz DLUUMQFWLFDEOE-UHFFFAOYSA-N 1 2 259.697 -1.235 20 0 CAADLO NC(=O)C(=O)NCC[NH2+][C@@H](C(N)=O)c1ccc(F)cc1 ZINC001133193512 776770137 /nfs/dbraw/zinc/77/01/37/776770137.db2.gz SUEARIMQWLPTQL-SECBINFHSA-N 1 2 282.275 -1.457 20 0 CAADLO CC(C)(C)n1cc(C[NH2+][C@@H](CO)CNC(=O)C(N)=O)nn1 ZINC001283798540 777919426 /nfs/dbraw/zinc/91/94/26/777919426.db2.gz YOAROOXXKWOCJX-SECBINFHSA-N 1 2 298.347 -1.915 20 0 CAADLO NC(=O)C1(C(=O)NC[C@@H](CO)[NH2+]Cc2nccs2)CC1 ZINC001283797993 777919441 /nfs/dbraw/zinc/91/94/41/777919441.db2.gz TVIKETALDFERMV-QMMMGPOBSA-N 1 2 298.368 -1.025 20 0 CAADLO Cn1ncnc1C[NH2+][C@@H](CO)CNC(=O)C1(C(N)=O)CC1 ZINC001283797556 777919856 /nfs/dbraw/zinc/91/98/56/777919856.db2.gz QHHZQUWNTCNTMU-MRVPVSSYSA-N 1 2 296.331 -2.353 20 0 CAADLO CCn1ccc(C[NH2+][C@@H](CO)CNC(=O)C(N)=O)n1 ZINC001283798184 777919918 /nfs/dbraw/zinc/91/99/18/777919918.db2.gz VSBFLFNDINVNTP-SECBINFHSA-N 1 2 269.305 -2.045 20 0 CAADLO C[C@@H](CNC(=O)[C@@H]1CCc2c[nH+]cn2C1)NC(=O)C(N)=O ZINC001284268840 777932360 /nfs/dbraw/zinc/93/23/60/777932360.db2.gz PZSFMAZCDMWVQZ-DTWKUNHWSA-N 1 2 293.327 -1.448 20 0 CAADLO C[C@@H](CNC(=O)CCc1c[nH]c[nH+]1)NC(=O)C(N)=O ZINC001284265300 777932743 /nfs/dbraw/zinc/93/27/43/777932743.db2.gz PCYXCXAOZNZGTI-ZETCQYMHSA-N 1 2 267.289 -1.552 20 0 CAADLO C[C@@H](CNC(=O)CCc1c[nH+]c[nH]1)NC(=O)C(N)=O ZINC001284265300 777932748 /nfs/dbraw/zinc/93/27/48/777932748.db2.gz PCYXCXAOZNZGTI-ZETCQYMHSA-N 1 2 267.289 -1.552 20 0 CAADLO C[C@@H](CNC(=O)CCc1c[nH]c[nH+]1)NC(=O)CC(N)=O ZINC001284265838 777932807 /nfs/dbraw/zinc/93/28/07/777932807.db2.gz VACWFENAIJQXOF-QMMMGPOBSA-N 1 2 281.316 -1.161 20 0 CAADLO C[C@@H](CNC(=O)CCc1c[nH+]c[nH]1)NC(=O)CC(N)=O ZINC001284265838 777932812 /nfs/dbraw/zinc/93/28/12/777932812.db2.gz VACWFENAIJQXOF-QMMMGPOBSA-N 1 2 281.316 -1.161 20 0 CAADLO C[C@H](CCNC(=O)C(N)=O)NC(=O)CCc1[nH+]ccn1C ZINC001284452255 777943814 /nfs/dbraw/zinc/94/38/14/777943814.db2.gz XOASEVWGFCQSDG-SECBINFHSA-N 1 2 295.343 -1.151 20 0 CAADLO CC[NH+]1CC2(C1)CN(C(=O)C[C@H]1CC(=O)NC1=O)CCO2 ZINC001053553372 782572823 /nfs/dbraw/zinc/57/28/23/782572823.db2.gz NNSCOBRPNICVBW-SNVBAGLBSA-N 1 2 295.339 -1.028 20 0 CAADLO Cn1nnnc1CC[N@@H+]1CCOC[C@@H]1CC(N)=O ZINC001119253386 779610105 /nfs/dbraw/zinc/61/01/05/779610105.db2.gz IRPDQWXHBQDONF-QMMMGPOBSA-N 1 2 254.294 -1.671 20 0 CAADLO Cn1nnnc1CC[N@H+]1CCOC[C@@H]1CC(N)=O ZINC001119253386 779610110 /nfs/dbraw/zinc/61/01/10/779610110.db2.gz IRPDQWXHBQDONF-QMMMGPOBSA-N 1 2 254.294 -1.671 20 0 CAADLO O=C1CNC(=O)N1CCC[N@@H+]1CCC(=O)NCC12COC2 ZINC001119270791 779610314 /nfs/dbraw/zinc/61/03/14/779610314.db2.gz PRJXXETYXWLTSJ-UHFFFAOYSA-N 1 2 296.327 -1.481 20 0 CAADLO O=C1CNC(=O)N1CCC[N@H+]1CCC(=O)NCC12COC2 ZINC001119270791 779610319 /nfs/dbraw/zinc/61/03/19/779610319.db2.gz PRJXXETYXWLTSJ-UHFFFAOYSA-N 1 2 296.327 -1.481 20 0 CAADLO C[C@@H](c1nnnn1C)n1cc(C[N@H+](C)CCO)nn1 ZINC001119279291 779610499 /nfs/dbraw/zinc/61/04/99/779610499.db2.gz BSJWUMKVMDNHRX-QMMMGPOBSA-N 1 2 266.309 -1.165 20 0 CAADLO C[C@@H](c1nnnn1C)n1cc(C[N@@H+](C)CCO)nn1 ZINC001119279291 779610502 /nfs/dbraw/zinc/61/05/02/779610502.db2.gz BSJWUMKVMDNHRX-QMMMGPOBSA-N 1 2 266.309 -1.165 20 0 CAADLO OC[C@@H]1COCC[N@@H+]1C[C@H](O)C1(O)CCOCC1 ZINC001119771947 779626261 /nfs/dbraw/zinc/62/62/61/779626261.db2.gz RHFHXMXTEALEPV-MNOVXSKESA-N 1 2 261.318 -1.418 20 0 CAADLO OC[C@@H]1COCC[N@H+]1C[C@H](O)C1(O)CCOCC1 ZINC001119771947 779626263 /nfs/dbraw/zinc/62/62/63/779626263.db2.gz RHFHXMXTEALEPV-MNOVXSKESA-N 1 2 261.318 -1.418 20 0 CAADLO O=C(C(=O)N1CCn2c[nH+]cc2C1)N1CC=C[C@H]1CO ZINC001120387721 779635547 /nfs/dbraw/zinc/63/55/47/779635547.db2.gz ICCNBBWKDSRMHC-JTQLQIEISA-N 1 2 276.296 -1.015 20 0 CAADLO CN1CC[N@H+](C)C[C@@H]1CNC(=O)N1CCNCC[NH2+]CC1 ZINC001120595744 779643476 /nfs/dbraw/zinc/64/34/76/779643476.db2.gz IZLWGDYVWYASFE-ZDUSSCGKSA-N 1 2 298.435 -1.563 20 0 CAADLO C[C@@H](C(=O)N1C[C@@H](O)C2(CC2)C1)N1CC[NH2+]CC1=O ZINC001122222496 779661852 /nfs/dbraw/zinc/66/18/52/779661852.db2.gz SRHDNURSKKJXTN-VHSXEESVSA-N 1 2 267.329 -1.210 20 0 CAADLO C[C@H](C(=O)N1C[C@@H](O)C2(CC2)C1)N1CC[NH2+]CC1=O ZINC001122222494 779661963 /nfs/dbraw/zinc/66/19/63/779661963.db2.gz SRHDNURSKKJXTN-NXEZZACHSA-N 1 2 267.329 -1.210 20 0 CAADLO C[C@H](C(=O)N[C@@]1(C)CCNC1=O)N1CC[NH2+]CC1=O ZINC001122377013 779666682 /nfs/dbraw/zinc/66/66/82/779666682.db2.gz HULRYCAODWCYTN-PELKAZGASA-N 1 2 268.317 -1.799 20 0 CAADLO Cc1nc(N[C@@H](CO)CNC(=O)[C@@H]2CCNC2=O)cc[nH+]1 ZINC001122358311 779666784 /nfs/dbraw/zinc/66/67/84/779666784.db2.gz ZKLQDKVLXYUFEM-NXEZZACHSA-N 1 2 293.327 -1.190 20 0 CAADLO COC(=O)[C@@H]([NH3+])CC(=O)N[C@H](C(=O)OC)[C@@H](C)O ZINC001219880085 780272250 /nfs/dbraw/zinc/27/22/50/780272250.db2.gz SVYYPPNRIPREAS-CHKWXVPMSA-N 1 2 262.262 -2.085 20 0 CAADLO Cn1[nH]c(C[NH2+]CCNC(=O)c2cc[n+]([O-])cc2)nc1=O ZINC001123040589 779678131 /nfs/dbraw/zinc/67/81/31/779678131.db2.gz OUBWFWMGLLAZQX-UHFFFAOYSA-N 1 2 292.299 -1.739 20 0 CAADLO CC(=O)N[C@@H](C)C(=O)NCC[NH2+]Cc1cnon1 ZINC001123082636 779679358 /nfs/dbraw/zinc/67/93/58/779679358.db2.gz KISFGKGPZHLGKW-ZETCQYMHSA-N 1 2 255.278 -1.200 20 0 CAADLO CC(=O)N(C)CC(=O)NCC[NH2+]Cc1nc(N(C)C)no1 ZINC001123810361 779694312 /nfs/dbraw/zinc/69/43/12/779694312.db2.gz MTDAEWMNBMMKCO-UHFFFAOYSA-N 1 2 298.347 -1.180 20 0 CAADLO COC(=O)NCC(=O)NCC[NH2+]Cc1nc(C)no1 ZINC001124182432 779706625 /nfs/dbraw/zinc/70/66/25/779706625.db2.gz XNFMURUUXPYIEX-UHFFFAOYSA-N 1 2 271.277 -1.060 20 0 CAADLO O=C(NC[C@H]1CCC2(C[NH+](CCO)C2)O1)[C@H]1CNC(=O)N1 ZINC001053656268 782573582 /nfs/dbraw/zinc/57/35/82/782573582.db2.gz VAXJXBISMMCQAG-NXEZZACHSA-N 1 2 298.343 -1.990 20 0 CAADLO COC(=O)[C@@H](Cc1c[nH+]cn1C)NC(=O)[C@H]1CNC(=O)C1 ZINC001143303295 779773735 /nfs/dbraw/zinc/77/37/35/779773735.db2.gz KWTUCSWIIBZDEK-PSASIEDQSA-N 1 2 294.311 -1.244 20 0 CAADLO NC(=O)[C@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C(N)=O ZINC001149187578 779773796 /nfs/dbraw/zinc/77/37/96/779773796.db2.gz QQDUFDAYDVKALR-OCAPTIKFSA-N 1 2 265.273 -2.072 20 0 CAADLO NC(=O)[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C(N)=O ZINC001149187576 779773854 /nfs/dbraw/zinc/77/38/54/779773854.db2.gz QQDUFDAYDVKALR-HTQZYQBOSA-N 1 2 265.273 -2.072 20 0 CAADLO Cc1noc(C[NH2+]CCNC(=O)CCNC(N)=O)n1 ZINC001150415532 779794154 /nfs/dbraw/zinc/79/41/54/779794154.db2.gz ZBWVRJDJBGYVPF-UHFFFAOYSA-N 1 2 270.293 -1.358 20 0 CAADLO Cc1nnc(C[NH2+]CCNC(=O)CCNC(N)=O)o1 ZINC001150423359 779794439 /nfs/dbraw/zinc/79/44/39/779794439.db2.gz FLZLKFQNGYQVCQ-UHFFFAOYSA-N 1 2 270.293 -1.358 20 0 CAADLO NC(=O)NCCC(=O)NCC[NH2+]Cc1nncs1 ZINC001150432596 779794649 /nfs/dbraw/zinc/79/46/49/779794649.db2.gz WSFXNINMKWWOBK-UHFFFAOYSA-N 1 2 272.334 -1.198 20 0 CAADLO NC(=O)NCCC(=O)NCC[NH2+]Cc1ncccn1 ZINC001150423054 779794749 /nfs/dbraw/zinc/79/47/49/779794749.db2.gz CAYPWNPPBVQBBS-UHFFFAOYSA-N 1 2 266.305 -1.259 20 0 CAADLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)[C@@H]1CCNC1=O ZINC001118801123 779589008 /nfs/dbraw/zinc/58/90/08/779589008.db2.gz ATGIMBKMOKDRLH-GHMZBOCLSA-N 1 2 268.361 -1.125 20 0 CAADLO O=C(CN1C(=O)CNC1=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC001118794025 779589061 /nfs/dbraw/zinc/58/90/61/779589061.db2.gz SLTHSFJECRLUQG-ZETCQYMHSA-N 1 2 263.257 -1.524 20 0 CAADLO CCOC(=O)CNC(=O)NC[C@@H]([NH3+])C(=O)OCC ZINC001239245334 780535095 /nfs/dbraw/zinc/53/50/95/780535095.db2.gz VQUUEQVWMGQBGJ-SSDOTTSWSA-N 1 2 261.278 -1.261 20 0 CAADLO CCOC(=O)CNC(=S)NC[C@@H]([NH3+])C(=O)OCC ZINC001239389762 780536111 /nfs/dbraw/zinc/53/61/11/780536111.db2.gz NPTVGMDKYPQLJV-SSDOTTSWSA-N 1 2 277.346 -1.096 20 0 CAADLO COC(=O)[C@@H](Cc1c[nH+]cn1C)NS(=O)(=O)N(C)C ZINC001251104011 780574189 /nfs/dbraw/zinc/57/41/89/780574189.db2.gz MCHGREGHWSDUAY-SECBINFHSA-N 1 2 290.345 -1.100 20 0 CAADLO CS(=O)(=O)CS(=O)(=O)NCCn1cc[nH+]c1 ZINC001260582847 780649664 /nfs/dbraw/zinc/64/96/64/780649664.db2.gz FGRQIBPWTZBMKN-UHFFFAOYSA-N 1 2 267.332 -1.195 20 0 CAADLO CNC(=O)C1(C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)CC1 ZINC001253854475 780596198 /nfs/dbraw/zinc/59/61/98/780596198.db2.gz YJARALZPORDKCY-LLVKDONJSA-N 1 2 299.371 -1.336 20 0 CAADLO CCc1cnc(C[N@@H+]2CC[C@](O)(CNC(=O)C(N)=O)C2)o1 ZINC001278800825 780607942 /nfs/dbraw/zinc/60/79/42/780607942.db2.gz QFBRHCMPYMEEKK-ZDUSSCGKSA-N 1 2 296.327 -1.225 20 0 CAADLO CCc1cnc(C[N@H+]2CC[C@](O)(CNC(=O)C(N)=O)C2)o1 ZINC001278800825 780607944 /nfs/dbraw/zinc/60/79/44/780607944.db2.gz QFBRHCMPYMEEKK-ZDUSSCGKSA-N 1 2 296.327 -1.225 20 0 CAADLO CC(C)OCC(=O)NCC1(O)C[NH+](C[C@@H](C)O)C1 ZINC001278844543 780612389 /nfs/dbraw/zinc/61/23/89/780612389.db2.gz ZHBGWHRQKOBWRK-SNVBAGLBSA-N 1 2 260.334 -1.045 20 0 CAADLO CCOCC[NH+]1CC(O)(CNC(=O)[C@H]2CCC(=O)NC2)C1 ZINC001278882752 780617617 /nfs/dbraw/zinc/61/76/17/780617617.db2.gz ATKBLJKPIROIRJ-NSHDSACASA-N 1 2 299.371 -1.288 20 0 CAADLO CS(=O)(=O)N1CCC([N@@H+]2CCO[C@@H](C(N)=O)C2)CC1 ZINC001257240015 780628618 /nfs/dbraw/zinc/62/86/18/780628618.db2.gz LWKXMJKGJSZZAD-SNVBAGLBSA-N 1 2 291.373 -1.404 20 0 CAADLO CS(=O)(=O)N1CCC([N@H+]2CCO[C@@H](C(N)=O)C2)CC1 ZINC001257240015 780628624 /nfs/dbraw/zinc/62/86/24/780628624.db2.gz LWKXMJKGJSZZAD-SNVBAGLBSA-N 1 2 291.373 -1.404 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)CCCC(N)=O)[C@@H](O)C1 ZINC001221169143 780405433 /nfs/dbraw/zinc/40/54/33/780405433.db2.gz QQIPGZLZVPHIJS-HLTSFMKQSA-N 1 2 286.332 -2.323 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)CCCC(N)=O)[C@@H](O)C1 ZINC001221169143 780405440 /nfs/dbraw/zinc/40/54/40/780405440.db2.gz QQIPGZLZVPHIJS-HLTSFMKQSA-N 1 2 286.332 -2.323 20 0 CAADLO NC(=O)CCCC(=O)N[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@@H]1O ZINC001221172391 780405651 /nfs/dbraw/zinc/40/56/51/780405651.db2.gz UCIAQOCWYZEODO-UTLUCORTSA-N 1 2 298.343 -2.308 20 0 CAADLO NC(=O)CCCC(=O)N[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@@H]1O ZINC001221172391 780405659 /nfs/dbraw/zinc/40/56/59/780405659.db2.gz UCIAQOCWYZEODO-UTLUCORTSA-N 1 2 298.343 -2.308 20 0 CAADLO Cn1cc(CCC(=O)N[C@@H]2C[N@H+](CCF)C[C@@H]2O)nn1 ZINC001221189936 780406107 /nfs/dbraw/zinc/40/61/07/780406107.db2.gz RSRFGBWDDQBQON-MNOVXSKESA-N 1 2 285.323 -1.122 20 0 CAADLO Cn1cc(CCC(=O)N[C@@H]2C[N@@H+](CCF)C[C@@H]2O)nn1 ZINC001221189936 780406110 /nfs/dbraw/zinc/40/61/10/780406110.db2.gz RSRFGBWDDQBQON-MNOVXSKESA-N 1 2 285.323 -1.122 20 0 CAADLO CC(C)(O)[C@H](F)CNC(=O)[C@@H]([NH3+])Cc1nn[nH]n1 ZINC001221260039 780410073 /nfs/dbraw/zinc/41/00/73/780410073.db2.gz FUIAAFHZILKNLU-NTSWFWBYSA-N 1 2 260.273 -1.705 20 0 CAADLO CCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)CNC(N)=O)[C@@H]2C1 ZINC001221259711 780410706 /nfs/dbraw/zinc/41/07/06/780410706.db2.gz QTWSPWTWRJTWSC-NXEZZACHSA-N 1 2 297.359 -1.677 20 0 CAADLO CCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)CNC(N)=O)[C@@H]2C1 ZINC001221259711 780410712 /nfs/dbraw/zinc/41/07/12/780410712.db2.gz QTWSPWTWRJTWSC-NXEZZACHSA-N 1 2 297.359 -1.677 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)CN(C)C(C)=O)[C@@H]2C1 ZINC001221294309 780413038 /nfs/dbraw/zinc/41/30/38/780413038.db2.gz MREYNRMSFXAXOQ-VXGBXAGGSA-N 1 2 296.371 -1.257 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)CN(C)C(C)=O)[C@@H]2C1 ZINC001221294309 780413041 /nfs/dbraw/zinc/41/30/41/780413041.db2.gz MREYNRMSFXAXOQ-VXGBXAGGSA-N 1 2 296.371 -1.257 20 0 CAADLO COC(=O)[C@@H]([NH3+])CC(=O)NCC(=O)NCC(F)(F)F ZINC001221277975 780413388 /nfs/dbraw/zinc/41/33/88/780413388.db2.gz DACUNIBWKRFRMC-YFKPBYRVSA-N 1 2 285.222 -1.329 20 0 CAADLO CCNC(=O)CC(=O)NC[C@H]1CC[N@@H+]1[C@H](C)C(=O)NC ZINC001276834465 780427709 /nfs/dbraw/zinc/42/77/09/780427709.db2.gz LLUKPCLVRDSWEJ-NXEZZACHSA-N 1 2 284.360 -1.162 20 0 CAADLO CCNC(=O)CC(=O)NC[C@H]1CC[N@H+]1[C@H](C)C(=O)NC ZINC001276834465 780427716 /nfs/dbraw/zinc/42/77/16/780427716.db2.gz LLUKPCLVRDSWEJ-NXEZZACHSA-N 1 2 284.360 -1.162 20 0 CAADLO CCN(C)C(=O)C[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCNC1=O ZINC001276898766 780430119 /nfs/dbraw/zinc/43/01/19/780430119.db2.gz LMCZVTYGIMKLII-GHMZBOCLSA-N 1 2 296.371 -1.209 20 0 CAADLO CCN(C)C(=O)C[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCNC1=O ZINC001276898766 780430127 /nfs/dbraw/zinc/43/01/27/780430127.db2.gz LMCZVTYGIMKLII-GHMZBOCLSA-N 1 2 296.371 -1.209 20 0 CAADLO CCN(C)C(=O)C[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CCNC1=O ZINC001276898767 780430735 /nfs/dbraw/zinc/43/07/35/780430735.db2.gz LMCZVTYGIMKLII-MNOVXSKESA-N 1 2 296.371 -1.209 20 0 CAADLO CCN(C)C(=O)C[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CCNC1=O ZINC001276898767 780430741 /nfs/dbraw/zinc/43/07/41/780430741.db2.gz LMCZVTYGIMKLII-MNOVXSKESA-N 1 2 296.371 -1.209 20 0 CAADLO CCOC(=O)[C@H]([NH3+])CNS(=O)(=O)c1cnc(C)n1C ZINC001238840529 780524340 /nfs/dbraw/zinc/52/43/40/780524340.db2.gz QWWHMGUOPSEVRW-MRVPVSSYSA-N 1 2 290.345 -1.103 20 0 CAADLO CCOC(=O)[C@H]([NH3+])CNS(=O)(=O)C1CCOCC1 ZINC001238841404 780524468 /nfs/dbraw/zinc/52/44/68/780524468.db2.gz YSIPKVHWJGTWMU-SECBINFHSA-N 1 2 280.346 -1.025 20 0 CAADLO CCOC(=O)[C@H]([NH3+])CNS(=O)(=O)CC(=O)OC ZINC001238841433 780524807 /nfs/dbraw/zinc/52/48/07/780524807.db2.gz ZFDMKGORIHKVNM-ZCFIWIBFSA-N 1 2 268.291 -2.031 20 0 CAADLO CCOC(=O)[C@H]([NH3+])CNS(=O)(=O)c1c[nH]cn1 ZINC001238841316 780525231 /nfs/dbraw/zinc/52/52/31/780525231.db2.gz XNFNNUROGIGTOJ-ZCFIWIBFSA-N 1 2 262.291 -1.422 20 0 CAADLO CNS(=O)(=O)CCCNC(=O)Cn1cc[nH+]c1 ZINC001261835092 780689421 /nfs/dbraw/zinc/68/94/21/780689421.db2.gz INIJTIMRWXCHEC-UHFFFAOYSA-N 1 2 260.319 -1.061 20 0 CAADLO O=C(N[C@H]1Cc2c[nH+]cn2C1)C1CS(=O)(=O)C1 ZINC001261877598 780691661 /nfs/dbraw/zinc/69/16/61/780691661.db2.gz MCPPLQBJYHJEOO-QMMMGPOBSA-N 1 2 255.299 -1.031 20 0 CAADLO OC[C@@H]1CN(C[C@H](O)C[NH+]2CCOCC2)CCO1 ZINC000380205987 780727915 /nfs/dbraw/zinc/72/79/15/780727915.db2.gz KALYJUCGLVOGPU-NEPJUHHUSA-N 1 2 260.334 -1.627 20 0 CAADLO OC[C@@H]1C[N@H+](C[C@H](O)CN2CCOCC2)CCO1 ZINC000380205987 780727920 /nfs/dbraw/zinc/72/79/20/780727920.db2.gz KALYJUCGLVOGPU-NEPJUHHUSA-N 1 2 260.334 -1.627 20 0 CAADLO OC[C@@H]1C[N@@H+](C[C@H](O)CN2CCOCC2)CCO1 ZINC000380205987 780727926 /nfs/dbraw/zinc/72/79/26/780727926.db2.gz KALYJUCGLVOGPU-NEPJUHHUSA-N 1 2 260.334 -1.627 20 0 CAADLO CNC(=O)C[N@H+](CCO)[C@@H]1CCCN(C(=O)C(N)=O)C1 ZINC001264634798 780738137 /nfs/dbraw/zinc/73/81/37/780738137.db2.gz SGHCDHVMTYXFFA-SECBINFHSA-N 1 2 286.332 -2.497 20 0 CAADLO CNC(=O)C[N@@H+](CCO)[C@@H]1CCCN(C(=O)C(N)=O)C1 ZINC001264634798 780738142 /nfs/dbraw/zinc/73/81/42/780738142.db2.gz SGHCDHVMTYXFFA-SECBINFHSA-N 1 2 286.332 -2.497 20 0 CAADLO Cc1cnc([C@@H](C)[NH2+]CCN(CCO)C(=O)C(N)=O)o1 ZINC001279811387 780776611 /nfs/dbraw/zinc/77/66/11/780776611.db2.gz YOEXDDJEPIFRGD-SECBINFHSA-N 1 2 284.316 -1.060 20 0 CAADLO CN(C[C@H]1CCCN1C(=O)C(N)=O)C(=O)Cc1[nH]cc[nH+]1 ZINC001279883586 780777973 /nfs/dbraw/zinc/77/79/73/780777973.db2.gz KBMICQDRSUGFEY-SECBINFHSA-N 1 2 293.327 -1.113 20 0 CAADLO CN(C[C@@H]1CCCN1C(=O)Cc1[nH]cc[nH+]1)C(=O)C(N)=O ZINC001279883299 780778098 /nfs/dbraw/zinc/77/80/98/780778098.db2.gz IBZUKXACDGWXNB-VIFPVBQESA-N 1 2 293.327 -1.113 20 0 CAADLO C[C@@H](O)C[NH+]1CC(CCO)(NC(=O)c2cn[nH]c2)C1 ZINC001282506003 780817572 /nfs/dbraw/zinc/81/75/72/780817572.db2.gz SAGCHYSCYZRAOA-SECBINFHSA-N 1 2 268.317 -1.043 20 0 CAADLO C[C@H](CNC(=O)c1nnc[nH]1)[N@H+](C)[C@@H]1CCNC1=O ZINC001282470425 780818343 /nfs/dbraw/zinc/81/83/43/780818343.db2.gz YHPPNMYCCZPGFW-HTQZYQBOSA-N 1 2 266.305 -1.257 20 0 CAADLO C[C@H](CNC(=O)c1nnc[nH]1)[N@@H+](C)[C@@H]1CCNC1=O ZINC001282470425 780818348 /nfs/dbraw/zinc/81/83/48/780818348.db2.gz YHPPNMYCCZPGFW-HTQZYQBOSA-N 1 2 266.305 -1.257 20 0 CAADLO C[C@H](CNC(=O)c1ncn[nH]1)[N@H+](C)[C@@H]1CCNC1=O ZINC001282470425 780818356 /nfs/dbraw/zinc/81/83/56/780818356.db2.gz YHPPNMYCCZPGFW-HTQZYQBOSA-N 1 2 266.305 -1.257 20 0 CAADLO C[C@H](CNC(=O)c1ncn[nH]1)[N@@H+](C)[C@@H]1CCNC1=O ZINC001282470425 780818365 /nfs/dbraw/zinc/81/83/65/780818365.db2.gz YHPPNMYCCZPGFW-HTQZYQBOSA-N 1 2 266.305 -1.257 20 0 CAADLO C[C@H](CNC(=O)c1nc[nH]n1)[N@H+](C)[C@@H]1CCNC1=O ZINC001282470425 780818372 /nfs/dbraw/zinc/81/83/72/780818372.db2.gz YHPPNMYCCZPGFW-HTQZYQBOSA-N 1 2 266.305 -1.257 20 0 CAADLO C[C@H](CNC(=O)c1nc[nH]n1)[N@@H+](C)[C@@H]1CCNC1=O ZINC001282470425 780818383 /nfs/dbraw/zinc/81/83/83/780818383.db2.gz YHPPNMYCCZPGFW-HTQZYQBOSA-N 1 2 266.305 -1.257 20 0 CAADLO CNC(=O)[C@H](C)[N@H+](C)[C@@H](C)CNC(=O)c1nnc[nH]1 ZINC001282467233 780819743 /nfs/dbraw/zinc/81/97/43/780819743.db2.gz GSDPKUAKZUWHIN-YUMQZZPRSA-N 1 2 268.321 -1.011 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+](C)[C@@H](C)CNC(=O)c1nnc[nH]1 ZINC001282467233 780819748 /nfs/dbraw/zinc/81/97/48/780819748.db2.gz GSDPKUAKZUWHIN-YUMQZZPRSA-N 1 2 268.321 -1.011 20 0 CAADLO CNC(=O)[C@H](C)[N@H+](C)[C@@H](C)CNC(=O)c1ncn[nH]1 ZINC001282467233 780819757 /nfs/dbraw/zinc/81/97/57/780819757.db2.gz GSDPKUAKZUWHIN-YUMQZZPRSA-N 1 2 268.321 -1.011 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+](C)[C@@H](C)CNC(=O)c1ncn[nH]1 ZINC001282467233 780819770 /nfs/dbraw/zinc/81/97/70/780819770.db2.gz GSDPKUAKZUWHIN-YUMQZZPRSA-N 1 2 268.321 -1.011 20 0 CAADLO CNC(=O)[C@H](C)[N@H+](C)[C@@H](C)CNC(=O)c1nc[nH]n1 ZINC001282467233 780819783 /nfs/dbraw/zinc/81/97/83/780819783.db2.gz GSDPKUAKZUWHIN-YUMQZZPRSA-N 1 2 268.321 -1.011 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+](C)[C@@H](C)CNC(=O)c1nc[nH]n1 ZINC001282467233 780819795 /nfs/dbraw/zinc/81/97/95/780819795.db2.gz GSDPKUAKZUWHIN-YUMQZZPRSA-N 1 2 268.321 -1.011 20 0 CAADLO C[C@@H](CNC(=O)c1nnc[nH]1)[N@H+](C)[C@@H]1CCNC1=O ZINC001282470427 780819879 /nfs/dbraw/zinc/81/98/79/780819879.db2.gz YHPPNMYCCZPGFW-JGVFFNPUSA-N 1 2 266.305 -1.257 20 0 CAADLO C[C@@H](CNC(=O)c1nnc[nH]1)[N@@H+](C)[C@@H]1CCNC1=O ZINC001282470427 780819892 /nfs/dbraw/zinc/81/98/92/780819892.db2.gz YHPPNMYCCZPGFW-JGVFFNPUSA-N 1 2 266.305 -1.257 20 0 CAADLO C[C@@H](CNC(=O)c1ncn[nH]1)[N@H+](C)[C@@H]1CCNC1=O ZINC001282470427 780819904 /nfs/dbraw/zinc/81/99/04/780819904.db2.gz YHPPNMYCCZPGFW-JGVFFNPUSA-N 1 2 266.305 -1.257 20 0 CAADLO C[C@@H](CNC(=O)c1ncn[nH]1)[N@@H+](C)[C@@H]1CCNC1=O ZINC001282470427 780819915 /nfs/dbraw/zinc/81/99/15/780819915.db2.gz YHPPNMYCCZPGFW-JGVFFNPUSA-N 1 2 266.305 -1.257 20 0 CAADLO C[C@@H](CNC(=O)c1nc[nH]n1)[N@H+](C)[C@@H]1CCNC1=O ZINC001282470427 780819926 /nfs/dbraw/zinc/81/99/26/780819926.db2.gz YHPPNMYCCZPGFW-JGVFFNPUSA-N 1 2 266.305 -1.257 20 0 CAADLO C[C@@H](CNC(=O)c1nc[nH]n1)[N@@H+](C)[C@@H]1CCNC1=O ZINC001282470427 780819938 /nfs/dbraw/zinc/81/99/38/780819938.db2.gz YHPPNMYCCZPGFW-JGVFFNPUSA-N 1 2 266.305 -1.257 20 0 CAADLO COC(=O)[C@@H]1C[N@H+](C)CCN1C(=O)COCCO ZINC001181790824 781699631 /nfs/dbraw/zinc/69/96/31/781699631.db2.gz NODWEKBUJOFHFS-VIFPVBQESA-N 1 2 260.290 -1.689 20 0 CAADLO COC(=O)[C@@H]1C[N@@H+](C)CCN1C(=O)COCCO ZINC001181790824 781699633 /nfs/dbraw/zinc/69/96/33/781699633.db2.gz NODWEKBUJOFHFS-VIFPVBQESA-N 1 2 260.290 -1.689 20 0 CAADLO O=C(NC[C@@H]1CCC2(C[NH+](CCO)C2)O1)[C@H]1COC(=O)N1 ZINC001053596427 782574270 /nfs/dbraw/zinc/57/42/70/782574270.db2.gz UGWQDMPFHUYBEU-VHSXEESVSA-N 1 2 299.327 -1.563 20 0 CAADLO O=C(NC[C@@H]1CCC2(C[NH+](CCO)C2)O1)[C@@H]1CNC(=O)N1 ZINC001053656269 782574354 /nfs/dbraw/zinc/57/43/54/782574354.db2.gz VAXJXBISMMCQAG-UWVGGRQHSA-N 1 2 298.343 -1.990 20 0 CAADLO O=C(NC[C@H]1CCC2(C[NH+](CCO)C2)O1)[C@H]1COC(=O)N1 ZINC001053596425 782574977 /nfs/dbraw/zinc/57/49/77/782574977.db2.gz UGWQDMPFHUYBEU-NXEZZACHSA-N 1 2 299.327 -1.563 20 0 CAADLO CC[NH+]1CC2(C1)C[C@H](NC(=O)Cn1cnnn1)CO2 ZINC001053732856 782575017 /nfs/dbraw/zinc/57/50/17/782575017.db2.gz GPEJZQUSUNAIGS-VIFPVBQESA-N 1 2 266.305 -1.348 20 0 CAADLO O=C(Cn1cnnn1)N[C@@H]1COC2(C[NH+](CCCF)C2)C1 ZINC001053733171 782575387 /nfs/dbraw/zinc/57/53/87/782575387.db2.gz ODWHXMMSHPYUEG-JTQLQIEISA-N 1 2 298.322 -1.008 20 0 CAADLO O=C(Cn1cnnn1)N[C@H]1COC2(C[NH+](CCO)C2)C1 ZINC001053733211 782575520 /nfs/dbraw/zinc/57/55/20/782575520.db2.gz PBYSRLLZIOOPRF-SECBINFHSA-N 1 2 282.304 -2.375 20 0 CAADLO CC[NH+]1CC2(C1)C[C@@H](NC(=O)Cn1cnnn1)CO2 ZINC001053732855 782575679 /nfs/dbraw/zinc/57/56/79/782575679.db2.gz GPEJZQUSUNAIGS-SECBINFHSA-N 1 2 266.305 -1.348 20 0 CAADLO O=C(N[C@H]1COC2(C[NH+](CCO)C2)C1)c1ccn[nH]1 ZINC001053744337 782575732 /nfs/dbraw/zinc/57/57/32/782575732.db2.gz LECXNFHWZXSITC-SECBINFHSA-N 1 2 266.301 -1.025 20 0 CAADLO O=C(N[C@H]1COC2(C[NH+](CCO)C2)C1)C1=COCCO1 ZINC001053731551 782575855 /nfs/dbraw/zinc/57/58/55/782575855.db2.gz YUNSUGQIEGLSJR-SNVBAGLBSA-N 1 2 284.312 -1.174 20 0 CAADLO O=C(N[C@@H]1COC2(C[NH+](CCO)C2)C1)c1ccc(=O)[nH]n1 ZINC001053729887 782575897 /nfs/dbraw/zinc/57/58/97/782575897.db2.gz UZJNQTGMPCVFLO-VIFPVBQESA-N 1 2 294.311 -1.252 20 0 CAADLO C[C@@H](O)C[NH+]1CC2(C1)C[C@H](NC(=O)Cn1cnnn1)CO2 ZINC001053733282 782575931 /nfs/dbraw/zinc/57/59/31/782575931.db2.gz QZOAXCCPYFWFCH-ZJUUUORDSA-N 1 2 296.331 -1.987 20 0 CAADLO O=C(N[C@H]1COC2(C[NH+](CCO)C2)C1)[C@@H]1CCOC1 ZINC001053755210 782578703 /nfs/dbraw/zinc/57/87/03/782578703.db2.gz ZWOFUXMCIZLUJO-GHMZBOCLSA-N 1 2 270.329 -1.025 20 0 CAADLO C[C@@H](O)C[NH+]1CC2(C1)C[C@@H](NC(=O)Cn1cnnn1)CO2 ZINC001053733279 782576537 /nfs/dbraw/zinc/57/65/37/782576537.db2.gz QZOAXCCPYFWFCH-NXEZZACHSA-N 1 2 296.331 -1.987 20 0 CAADLO C[C@H](O)C[NH+]1CC2(C1)C[C@@H](NC(=O)Cn1cnnn1)CO2 ZINC001053733281 782576567 /nfs/dbraw/zinc/57/65/67/782576567.db2.gz QZOAXCCPYFWFCH-VHSXEESVSA-N 1 2 296.331 -1.987 20 0 CAADLO O=C(N[C@H]1COC2(C[NH+](CCO)C2)C1)[C@H]1COCCO1 ZINC001053746978 782576602 /nfs/dbraw/zinc/57/66/02/782576602.db2.gz PYNWHPDOGZZIIV-GHMZBOCLSA-N 1 2 286.328 -1.646 20 0 CAADLO O=C(N[C@@H]1COC2(C[NH+](CCO)C2)C1)[C@@H]1COCCO1 ZINC001053746980 782576632 /nfs/dbraw/zinc/57/66/32/782576632.db2.gz PYNWHPDOGZZIIV-QWRGUYRKSA-N 1 2 286.328 -1.646 20 0 CAADLO O=C(CN1CCOCC1)N[C@@H]1COC2(C[NH+](CCO)C2)C1 ZINC001053781804 782577090 /nfs/dbraw/zinc/57/70/90/782577090.db2.gz REQCGPFSWHZGOZ-LBPRGKRZSA-N 1 2 299.371 -1.730 20 0 CAADLO O=C(N[C@H]1COC2(C[NH+](CCO)C2)C1)[C@H]1CCNC(=O)C1 ZINC001053774803 782577293 /nfs/dbraw/zinc/57/72/93/782577293.db2.gz KDMQLGZKTDVJQZ-WDEREUQCSA-N 1 2 297.355 -1.536 20 0 CAADLO O=C(C[C@H]1COC(=O)C1)N[C@H]1COC2(C[NH+](CCO)C2)C1 ZINC001053777592 782577659 /nfs/dbraw/zinc/57/76/59/782577659.db2.gz NGCWVZVPDRLAKW-GHMZBOCLSA-N 1 2 298.339 -1.109 20 0 CAADLO Cn1nccc1C(=O)N[C@H]1COC2(C[NH+](CCO)C2)C1 ZINC001053756229 782577746 /nfs/dbraw/zinc/57/77/46/782577746.db2.gz RLQFBBNWYIHXBR-SNVBAGLBSA-N 1 2 280.328 -1.015 20 0 CAADLO CNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(C)=O)C1 ZINC001190581522 781877042 /nfs/dbraw/zinc/87/70/42/781877042.db2.gz YAPDTFPBVQNNJJ-NBEYISGCSA-N 1 2 272.305 -1.988 20 0 CAADLO CNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(C)=O)C1 ZINC001190581522 781877049 /nfs/dbraw/zinc/87/70/49/781877049.db2.gz YAPDTFPBVQNNJJ-NBEYISGCSA-N 1 2 272.305 -1.988 20 0 CAADLO CCCC(=O)N[C@@H]1C[N@@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1O ZINC001190693320 781884637 /nfs/dbraw/zinc/88/46/37/781884637.db2.gz VESNOONQOMJGNZ-KXUCPTDWSA-N 1 2 283.328 -1.247 20 0 CAADLO CCCC(=O)N[C@@H]1C[N@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1O ZINC001190693320 781884645 /nfs/dbraw/zinc/88/46/45/781884645.db2.gz VESNOONQOMJGNZ-KXUCPTDWSA-N 1 2 283.328 -1.247 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CNC(C)=O)C1 ZINC001190718131 781884967 /nfs/dbraw/zinc/88/49/67/781884967.db2.gz VCKPSJJWNMKMMJ-FXBDTBDDSA-N 1 2 286.332 -2.582 20 0 CAADLO CNC(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CNC(C)=O)C1 ZINC001190718131 781884978 /nfs/dbraw/zinc/88/49/78/781884978.db2.gz VCKPSJJWNMKMMJ-FXBDTBDDSA-N 1 2 286.332 -2.582 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CNC(C)=O)C1 ZINC001190718150 781885113 /nfs/dbraw/zinc/88/51/13/781885113.db2.gz VCKPSJJWNMKMMJ-SZEHBUNVSA-N 1 2 286.332 -2.582 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CNC(C)=O)C1 ZINC001190718150 781885118 /nfs/dbraw/zinc/88/51/18/781885118.db2.gz VCKPSJJWNMKMMJ-SZEHBUNVSA-N 1 2 286.332 -2.582 20 0 CAADLO CC[C@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CNC(C)=O)C1 ZINC001190718285 781885284 /nfs/dbraw/zinc/88/52/84/781885284.db2.gz YGWDFFAAKIRHQY-OPRDCNLKSA-N 1 2 286.332 -2.452 20 0 CAADLO CC[C@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)CNC(C)=O)C1 ZINC001190718285 781885293 /nfs/dbraw/zinc/88/52/93/781885293.db2.gz YGWDFFAAKIRHQY-OPRDCNLKSA-N 1 2 286.332 -2.452 20 0 CAADLO CC(=O)NCC(=O)N[C@@H]1C[N@H+](Cc2cc(C)no2)C[C@H]1O ZINC001190676100 781885711 /nfs/dbraw/zinc/88/57/11/781885711.db2.gz IDPOVAKWKDNBBN-VXGBXAGGSA-N 1 2 296.327 -1.220 20 0 CAADLO CC(=O)NCC(=O)N[C@@H]1C[N@@H+](Cc2cc(C)no2)C[C@H]1O ZINC001190676100 781885721 /nfs/dbraw/zinc/88/57/21/781885721.db2.gz IDPOVAKWKDNBBN-VXGBXAGGSA-N 1 2 296.327 -1.220 20 0 CAADLO CCOCCCC(=O)N[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@H]1O ZINC001191287147 781903093 /nfs/dbraw/zinc/90/30/93/781903093.db2.gz OGCWTSROZWALJJ-GRYCIOLGSA-N 1 2 299.371 -1.147 20 0 CAADLO CCOCCCC(=O)N[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@H]1O ZINC001191287147 781903099 /nfs/dbraw/zinc/90/30/99/781903099.db2.gz OGCWTSROZWALJJ-GRYCIOLGSA-N 1 2 299.371 -1.147 20 0 CAADLO CC(C)OCCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(N)=O)C[C@H]1O ZINC001191185909 781903405 /nfs/dbraw/zinc/90/34/05/781903405.db2.gz QVAFCYKESSOSRM-HBNTYKKESA-N 1 2 287.360 -1.163 20 0 CAADLO CC(C)OCCC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(N)=O)C[C@H]1O ZINC001191185909 781903410 /nfs/dbraw/zinc/90/34/10/781903410.db2.gz QVAFCYKESSOSRM-HBNTYKKESA-N 1 2 287.360 -1.163 20 0 CAADLO CCCOCC(=O)N[C@@H]1C[N@@H+]([C@H]2CCN(C)C2=O)C[C@H]1O ZINC001191580135 781911325 /nfs/dbraw/zinc/91/13/25/781911325.db2.gz FFVUKIVRPVOCSE-GRYCIOLGSA-N 1 2 299.371 -1.195 20 0 CAADLO CCCOCC(=O)N[C@@H]1C[N@H+]([C@H]2CCN(C)C2=O)C[C@H]1O ZINC001191580135 781911328 /nfs/dbraw/zinc/91/13/28/781911328.db2.gz FFVUKIVRPVOCSE-GRYCIOLGSA-N 1 2 299.371 -1.195 20 0 CAADLO CC(C)OCC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCN(C)C2=O)C[C@H]1O ZINC001191541110 781911372 /nfs/dbraw/zinc/91/13/72/781911372.db2.gz ZLCOGNWMIUCGFE-IJLUTSLNSA-N 1 2 299.371 -1.197 20 0 CAADLO CC(C)OCC(=O)N[C@@H]1C[N@H+]([C@@H]2CCN(C)C2=O)C[C@H]1O ZINC001191541110 781911375 /nfs/dbraw/zinc/91/13/75/781911375.db2.gz ZLCOGNWMIUCGFE-IJLUTSLNSA-N 1 2 299.371 -1.197 20 0 CAADLO CCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CS(C)(=O)=O)C1 ZINC001191530112 781912003 /nfs/dbraw/zinc/91/20/03/781912003.db2.gz LDLUIXXTGMVEKC-NXEZZACHSA-N 1 2 278.374 -1.008 20 0 CAADLO CCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CS(C)(=O)=O)C1 ZINC001191530112 781912009 /nfs/dbraw/zinc/91/20/09/781912009.db2.gz LDLUIXXTGMVEKC-NXEZZACHSA-N 1 2 278.374 -1.008 20 0 CAADLO CS(=O)(=O)CC(=O)N[C@@H]1C[N@H+](CCC2CC2)C[C@H]1O ZINC001191530400 781912218 /nfs/dbraw/zinc/91/22/18/781912218.db2.gz OLJWBEYTBXICGM-GHMZBOCLSA-N 1 2 290.385 -1.008 20 0 CAADLO CS(=O)(=O)CC(=O)N[C@@H]1C[N@@H+](CCC2CC2)C[C@H]1O ZINC001191530400 781912223 /nfs/dbraw/zinc/91/22/23/781912223.db2.gz OLJWBEYTBXICGM-GHMZBOCLSA-N 1 2 290.385 -1.008 20 0 CAADLO O=C(N[C@H]1COC2(C[NH+](CCO)C2)C1)[C@@H]1CCNC(=O)C1 ZINC001053774800 782578017 /nfs/dbraw/zinc/57/80/17/782578017.db2.gz KDMQLGZKTDVJQZ-GHMZBOCLSA-N 1 2 297.355 -1.536 20 0 CAADLO O=C(N[C@@H]1COC2(C[NH+](CCO)C2)C1)[C@@H]1CCNC(=O)C1 ZINC001053774801 782578191 /nfs/dbraw/zinc/57/81/91/782578191.db2.gz KDMQLGZKTDVJQZ-MNOVXSKESA-N 1 2 297.355 -1.536 20 0 CAADLO COCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1CCC(=O)N1)CO2 ZINC001053757072 782578497 /nfs/dbraw/zinc/57/84/97/782578497.db2.gz MKRGZYZYBFARNQ-WDEREUQCSA-N 1 2 297.355 -1.129 20 0 CAADLO Nc1nccnc1C(=O)N[C@H]1COC2(C[NH+](CCO)C2)C1 ZINC001053761302 782578542 /nfs/dbraw/zinc/57/85/42/782578542.db2.gz YJSRVUKANSWIEV-SECBINFHSA-N 1 2 293.327 -1.376 20 0 CAADLO C[C@H](O)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1cn[nH]n1)CO2 ZINC001053861553 782583117 /nfs/dbraw/zinc/58/31/17/782583117.db2.gz NPJBZCDFNGMGPB-DTWKUNHWSA-N 1 2 281.316 -1.241 20 0 CAADLO CC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1CN(C)C(=O)N1)CO2 ZINC001053890653 782583165 /nfs/dbraw/zinc/58/31/65/782583165.db2.gz DGKUKQLYVOUALS-NXEZZACHSA-N 1 2 282.344 -1.011 20 0 CAADLO O=C(N[C@@H]1COC2(C[NH+](CCO)C2)C1)c1cnc[nH]c1=O ZINC001053838685 782583317 /nfs/dbraw/zinc/58/33/17/782583317.db2.gz JIZZVEZPBDJDMX-VIFPVBQESA-N 1 2 294.311 -1.252 20 0 CAADLO O=C(N[C@@H]1COC2(C[NH+](CCO)C2)C1)[C@H]1CCC(=O)NC1 ZINC001053855576 782583345 /nfs/dbraw/zinc/58/33/45/782583345.db2.gz QRUGKWPKLUTIAW-QWRGUYRKSA-N 1 2 297.355 -1.536 20 0 CAADLO O=C(N[C@H]1COC2(C[NH+](CCO)C2)C1)[C@H]1CCC(=O)NC1 ZINC001053855577 782583403 /nfs/dbraw/zinc/58/34/03/782583403.db2.gz QRUGKWPKLUTIAW-WDEREUQCSA-N 1 2 297.355 -1.536 20 0 CAADLO CN1C[C@H](C(=O)N[C@H]2COC3(C[NH+](CCO)C3)C2)NC1=O ZINC001053890512 782583631 /nfs/dbraw/zinc/58/36/31/782583631.db2.gz BZAWQSBTVITRRI-NXEZZACHSA-N 1 2 298.343 -2.038 20 0 CAADLO O=C(N[C@@H]1COC2(C[NH+](CCO)C2)C1)c1cn[nH]c(=O)c1 ZINC001053841208 782584178 /nfs/dbraw/zinc/58/41/78/782584178.db2.gz CMJVAVYTKVNMIV-JTQLQIEISA-N 1 2 294.311 -1.252 20 0 CAADLO C[C@]1(C(=O)N[C@@H]2COC3(C[NH+](CCO)C3)C2)CNC(=O)C1 ZINC001053878849 782584267 /nfs/dbraw/zinc/58/42/67/782584267.db2.gz LCLRGMBGYMXSNM-GXFFZTMASA-N 1 2 297.355 -1.536 20 0 CAADLO CN1C[C@@H](C(=O)N[C@H]2COC3(C[NH+](CCO)C3)C2)NC1=O ZINC001053890517 782584282 /nfs/dbraw/zinc/58/42/82/782584282.db2.gz BZAWQSBTVITRRI-ZJUUUORDSA-N 1 2 298.343 -2.038 20 0 CAADLO O=C(N[C@H]1COC2(C[NH+](CCO)C2)C1)[C@H]1CCCC(=O)N1 ZINC001053842559 782584351 /nfs/dbraw/zinc/58/43/51/782584351.db2.gz PJNXYGOFZHAVMW-GHMZBOCLSA-N 1 2 297.355 -1.393 20 0 CAADLO CN1CC[C@H](C(=O)N[C@H]2COC3(C[NH+](CCO)C3)C2)C1=O ZINC001053893057 782585332 /nfs/dbraw/zinc/58/53/32/782585332.db2.gz JAFMNEAOOVCSFZ-GHMZBOCLSA-N 1 2 297.355 -1.584 20 0 CAADLO CC(=O)N1CC(C(=O)N[C@H]2COC3(C[NH+](CCO)C3)C2)C1 ZINC001053789959 782578954 /nfs/dbraw/zinc/57/89/54/782578954.db2.gz MXLBTAXVLITVLV-GFCCVEGCSA-N 1 2 297.355 -1.584 20 0 CAADLO O=C(N[C@H]1COC2(C[NH+](CCO)C2)C1)c1ncc[nH]1 ZINC001053794050 782578995 /nfs/dbraw/zinc/57/89/95/782578995.db2.gz CXHZPZHFEBRCIT-SECBINFHSA-N 1 2 266.301 -1.025 20 0 CAADLO C[C@@H](O)C[NH+]1CC2(C1)C[C@H](NC(=O)c1cn(C)nn1)CO2 ZINC001053791112 782579041 /nfs/dbraw/zinc/57/90/41/782579041.db2.gz HKQUCKVKBUXMIW-ZJUUUORDSA-N 1 2 295.343 -1.231 20 0 CAADLO COCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1COC(=O)N1)CO2 ZINC001053789497 782579272 /nfs/dbraw/zinc/57/92/72/782579272.db2.gz FTTQZIRAYYJLCX-NXEZZACHSA-N 1 2 299.327 -1.299 20 0 CAADLO C[C@H](O)C[NH+]1CC2(C1)C[C@H](NC(=O)c1cnnn1C)CO2 ZINC001053791783 782579319 /nfs/dbraw/zinc/57/93/19/782579319.db2.gz MYAJVLHASYLNFH-UWVGGRQHSA-N 1 2 295.343 -1.231 20 0 CAADLO Cn1cc(C(=O)N[C@H]2COC3(C[NH+](CCCO)C3)C2)nn1 ZINC001053794553 782579393 /nfs/dbraw/zinc/57/93/93/782579393.db2.gz RLVJINJYBWMYBB-SNVBAGLBSA-N 1 2 295.343 -1.229 20 0 CAADLO O=C(Cc1cncnc1)N[C@H]1COC2(C[NH+](CCO)C2)C1 ZINC001053788056 782579437 /nfs/dbraw/zinc/57/94/37/782579437.db2.gz HERJJZRSZSBDBQ-GFCCVEGCSA-N 1 2 292.339 -1.029 20 0 CAADLO O=C(N[C@@H]1COC2(C[NH+](CCO)C2)C1)c1ncc[nH]1 ZINC001053794051 782579534 /nfs/dbraw/zinc/57/95/34/782579534.db2.gz CXHZPZHFEBRCIT-VIFPVBQESA-N 1 2 266.301 -1.025 20 0 CAADLO O=C(N[C@@H]1COC2(C[NH+](CCCO)C2)C1)[C@H]1COC(=O)N1 ZINC001053790355 782579764 /nfs/dbraw/zinc/57/97/64/782579764.db2.gz UDZNVPWSIVDLKE-VHSXEESVSA-N 1 2 299.327 -1.563 20 0 CAADLO C[C@H](O)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1cn(C)nn1)CO2 ZINC001053791110 782579846 /nfs/dbraw/zinc/57/98/46/782579846.db2.gz HKQUCKVKBUXMIW-VHSXEESVSA-N 1 2 295.343 -1.231 20 0 CAADLO CN1CCOC[C@H]1C(=O)N[C@@H]1COC2(C[NH+](CCO)C2)C1 ZINC001053782382 782579986 /nfs/dbraw/zinc/57/99/86/782579986.db2.gz OFUIUYZCNVKYBV-RYUDHWBXSA-N 1 2 299.371 -1.731 20 0 CAADLO C[C@@H](O)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1ncn(C)n1)CO2 ZINC001053794202 782580024 /nfs/dbraw/zinc/58/00/24/782580024.db2.gz IOOPALISAAPLLI-NXEZZACHSA-N 1 2 295.343 -1.231 20 0 CAADLO C[C@@H](O)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1cnnn1C)CO2 ZINC001053791782 782580096 /nfs/dbraw/zinc/58/00/96/782580096.db2.gz MYAJVLHASYLNFH-NXEZZACHSA-N 1 2 295.343 -1.231 20 0 CAADLO Cn1ncc(C(=O)N[C@@H]2COC3(C[NH+](CCO)C3)C2)c1N ZINC001053783491 782580148 /nfs/dbraw/zinc/58/01/48/782580148.db2.gz SBBGUZBLGRAFEX-VIFPVBQESA-N 1 2 295.343 -1.432 20 0 CAADLO C[C@@H](O)C[NH+]1CC2(C1)C[C@H](NC(=O)c1ncn(C)n1)CO2 ZINC001053794205 782580249 /nfs/dbraw/zinc/58/02/49/782580249.db2.gz IOOPALISAAPLLI-ZJUUUORDSA-N 1 2 295.343 -1.231 20 0 CAADLO Cn1cnc(C(=O)N[C@@H]2COC3(C[NH+](CCO)C3)C2)n1 ZINC001053794249 782580287 /nfs/dbraw/zinc/58/02/87/782580287.db2.gz JNMWWVWMIFIVOJ-VIFPVBQESA-N 1 2 281.316 -1.620 20 0 CAADLO O=C(N[C@H]1COC2(C[NH+](CCO)C2)C1)[C@H]1COC(=O)N1 ZINC001053792352 782580371 /nfs/dbraw/zinc/58/03/71/782580371.db2.gz RTSRUMUKEMQNHT-RKDXNWHRSA-N 1 2 285.300 -1.953 20 0 CAADLO Cn1nccc1CC(=O)N[C@@H]1COC2(C[NH+](CCO)C2)C1 ZINC001053787634 782580405 /nfs/dbraw/zinc/58/04/05/782580405.db2.gz BYLAFTFZXQJEAK-NSHDSACASA-N 1 2 294.355 -1.086 20 0 CAADLO O=C(CN1CN=NC1=O)N[C@@H]1COC2(C[NH+](CCO)C2)C1 ZINC001053782952 782580552 /nfs/dbraw/zinc/58/05/52/782580552.db2.gz GMJMBRQXUJDHBG-VIFPVBQESA-N 1 2 297.315 -2.065 20 0 CAADLO Cn1nncc1C(=O)N[C@H]1COC2(C[NH+](CCO)C2)C1 ZINC001053791030 782580635 /nfs/dbraw/zinc/58/06/35/782580635.db2.gz FEWGFFLZWILECV-SECBINFHSA-N 1 2 281.316 -1.620 20 0 CAADLO CCn1nncc1C(=O)N[C@H]1COC2(C[NH+](CCO)C2)C1 ZINC001053795786 782580920 /nfs/dbraw/zinc/58/09/20/782580920.db2.gz WROVAKKLDTVNEF-SNVBAGLBSA-N 1 2 295.343 -1.137 20 0 CAADLO COCC[NH+]1CC2(C1)C[C@H](NC(=O)Cn1nccn1)CO2 ZINC001053815166 782581183 /nfs/dbraw/zinc/58/11/83/782581183.db2.gz HCKKHOCDJSRNMC-NSHDSACASA-N 1 2 295.343 -1.116 20 0 CAADLO O=C(C[C@H]1CCNC1=O)N[C@@H]1COC2(C[NH+](CCO)C2)C1 ZINC001053828087 782581225 /nfs/dbraw/zinc/58/12/25/782581225.db2.gz MJMNLKANCMASGV-MNOVXSKESA-N 1 2 297.355 -1.536 20 0 CAADLO Cc1[nH]c(=O)[nH]c1C(=O)N[C@H]1COC2(C[NH+](CCO)C2)C1 ZINC001053835859 782581414 /nfs/dbraw/zinc/58/14/14/782581414.db2.gz RJJBWOWBJCXTMH-SECBINFHSA-N 1 2 296.327 -1.011 20 0 CAADLO C[C@@H](O)C[NH+]1CC2(C1)C[C@H](NC(=O)Cn1ncnn1)CO2 ZINC001053803367 782581571 /nfs/dbraw/zinc/58/15/71/782581571.db2.gz QPRPQODWVQCSLR-ZJUUUORDSA-N 1 2 296.331 -1.987 20 0 CAADLO CN1C[C@H](C(=O)N[C@H]2COC3(C[NH+](CCO)C3)C2)CC1=O ZINC001053822596 782581659 /nfs/dbraw/zinc/58/16/59/782581659.db2.gz QUVDLOUDINPOIE-GHMZBOCLSA-N 1 2 297.355 -1.584 20 0 CAADLO C[C@H](O)C[NH+]1CC2(C1)C[C@@H](NC(=O)Cn1nccn1)CO2 ZINC001053815485 782581738 /nfs/dbraw/zinc/58/17/38/782581738.db2.gz NQRSXTFSSBMHIE-WDEREUQCSA-N 1 2 295.343 -1.382 20 0 CAADLO Cc1nnc(CC(=O)N[C@@H]2COC3(C[NH+](CCO)C3)C2)o1 ZINC001053794804 782581775 /nfs/dbraw/zinc/58/17/75/782581775.db2.gz YJDWAFCUFQCFAT-JTQLQIEISA-N 1 2 296.327 -1.128 20 0 CAADLO C[C@H](O)C[NH+]1CC2(C1)C[C@@H](NC(=O)Cn1ncnn1)CO2 ZINC001053803366 782581860 /nfs/dbraw/zinc/58/18/60/782581860.db2.gz QPRPQODWVQCSLR-VHSXEESVSA-N 1 2 296.331 -1.987 20 0 CAADLO O=C(Cn1nccn1)N[C@@H]1COC2(C[NH+](CCCO)C2)C1 ZINC001053814954 782581927 /nfs/dbraw/zinc/58/19/27/782581927.db2.gz AODLHDOQEIMDFU-NSHDSACASA-N 1 2 295.343 -1.380 20 0 CAADLO CN1C[C@@H](C(=O)N[C@@H]2COC3(C[NH+](CCO)C3)C2)CC1=O ZINC001053822598 782581998 /nfs/dbraw/zinc/58/19/98/782581998.db2.gz QUVDLOUDINPOIE-QWRGUYRKSA-N 1 2 297.355 -1.584 20 0 CAADLO C[C@@H](O)C[NH+]1CC2(C1)C[C@@H](NC(=O)Cn1nccn1)CO2 ZINC001053815482 782582031 /nfs/dbraw/zinc/58/20/31/782582031.db2.gz NQRSXTFSSBMHIE-GHMZBOCLSA-N 1 2 295.343 -1.382 20 0 CAADLO O=C(Cn1nccn1)N[C@@H]1COC2(C[NH+](CCO)C2)C1 ZINC001053815245 782582061 /nfs/dbraw/zinc/58/20/61/782582061.db2.gz JAYUHWYBSSYZPD-JTQLQIEISA-N 1 2 281.316 -1.770 20 0 CAADLO CC[NH+]1CC2(C1)C[C@H](NC(=O)Cn1ncnn1)CO2 ZINC001053803127 782582090 /nfs/dbraw/zinc/58/20/90/782582090.db2.gz KYSIIJKZOYLNRE-VIFPVBQESA-N 1 2 266.305 -1.348 20 0 CAADLO Cn1ccc(CC(=O)N[C@@H]2COC3(C[NH+](CCO)C3)C2)n1 ZINC001053798760 782582139 /nfs/dbraw/zinc/58/21/39/782582139.db2.gz CNDYIENOWQTZET-LBPRGKRZSA-N 1 2 294.355 -1.086 20 0 CAADLO O=C(N[C@H]1COC2(C[NH+](CCO)C2)C1)[C@H]1CCCNC1=O ZINC001053835406 782582194 /nfs/dbraw/zinc/58/21/94/782582194.db2.gz IVSKWSAQHPXDRU-MNOVXSKESA-N 1 2 297.355 -1.536 20 0 CAADLO C[C@H](O)C[NH+]1CC2(C1)C[C@H](NC(=O)Cn1nccn1)CO2 ZINC001053815484 782582251 /nfs/dbraw/zinc/58/22/51/782582251.db2.gz NQRSXTFSSBMHIE-QWRGUYRKSA-N 1 2 295.343 -1.382 20 0 CAADLO O=C(N[C@@H]1COC2(C[NH+](CCO)C2)C1)[C@@H]1CCCNC1=O ZINC001053835408 782582371 /nfs/dbraw/zinc/58/23/71/782582371.db2.gz IVSKWSAQHPXDRU-WDEREUQCSA-N 1 2 297.355 -1.536 20 0 CAADLO O=C(N[C@@H]1COC2(C[NH+](CCO)C2)C1)c1c[nH]c(=O)cn1 ZINC001053908871 782585518 /nfs/dbraw/zinc/58/55/18/782585518.db2.gz CHRWJEGURDFZLR-VIFPVBQESA-N 1 2 294.311 -1.665 20 0 CAADLO CN1C(=O)CC[C@H]1C(=O)N[C@H]1COC2(C[NH+](CCO)C2)C1 ZINC001053897932 782585606 /nfs/dbraw/zinc/58/56/06/782585606.db2.gz YZCVAHLTZKRKGK-MNOVXSKESA-N 1 2 297.355 -1.441 20 0 CAADLO COCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1CNC(=O)N1)CO2 ZINC001053910968 782585812 /nfs/dbraw/zinc/58/58/12/782585812.db2.gz UCKZMGBLGLHYQQ-UWVGGRQHSA-N 1 2 298.343 -1.726 20 0 CAADLO CN1C(=O)CC[C@H]1C(=O)N[C@@H]1COC2(C[NH+](CCO)C2)C1 ZINC001053897933 782585859 /nfs/dbraw/zinc/58/58/59/782585859.db2.gz YZCVAHLTZKRKGK-QWRGUYRKSA-N 1 2 297.355 -1.441 20 0 CAADLO COCC[NH+]1CC2(C1)C[C@H](NC(=O)c1nnn(C)n1)CO2 ZINC001053897502 782585902 /nfs/dbraw/zinc/58/59/02/782585902.db2.gz RCOYBKUASKZXPW-VIFPVBQESA-N 1 2 296.331 -1.570 20 0 CAADLO O=C(N[C@@H]1COC2(C[NH+](CCO)C2)C1)[C@@H]1CNC(=O)N1 ZINC001053910995 782585962 /nfs/dbraw/zinc/58/59/62/782585962.db2.gz UTQXVVSBFFRDHY-IUCAKERBSA-N 1 2 284.316 -2.380 20 0 CAADLO C[C@H](O)C[NH+]1CC2(C1)C[C@H](NC(=O)c1nnn(C)n1)CO2 ZINC001053897002 782586280 /nfs/dbraw/zinc/58/62/80/782586280.db2.gz IPMIOSLCXCDILV-IUCAKERBSA-N 1 2 296.331 -1.836 20 0 CAADLO CN1CC[C@@H](C(=O)N[C@H]2COC3(C[NH+](CCO)C3)C2)C1=O ZINC001053893058 782586299 /nfs/dbraw/zinc/58/62/99/782586299.db2.gz JAFMNEAOOVCSFZ-MNOVXSKESA-N 1 2 297.355 -1.584 20 0 CAADLO CN1C(=O)CC[C@@H]1C(=O)N[C@H]1COC2(C[NH+](CCO)C2)C1 ZINC001053905211 782586348 /nfs/dbraw/zinc/58/63/48/782586348.db2.gz YZCVAHLTZKRKGK-GHMZBOCLSA-N 1 2 297.355 -1.441 20 0 CAADLO CC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1CNC(=O)N1)CO2 ZINC001053909020 782586373 /nfs/dbraw/zinc/58/63/73/782586373.db2.gz AKAGJTRGPKQDDE-RKDXNWHRSA-N 1 2 268.317 -1.353 20 0 CAADLO C[C@H](O)C[NH+]1CC2(C1)C[C@@H](NC(=O)C(N)=O)CO2 ZINC001053912180 782586879 /nfs/dbraw/zinc/58/68/79/782586879.db2.gz VYSHWSAYBITHBK-JGVFFNPUSA-N 1 2 257.290 -2.188 20 0 CAADLO C[C@H](O)C[NH+]1CC2(C1)C[C@H](NC(=O)C(N)=O)CO2 ZINC001053912182 782587526 /nfs/dbraw/zinc/58/75/26/782587526.db2.gz VYSHWSAYBITHBK-YUMQZZPRSA-N 1 2 257.290 -2.188 20 0 CAADLO C[C@]1(C(=O)N[C@@H]2COC3(C[NH+](CCO)C3)C2)CCNC1=O ZINC001053925342 782588235 /nfs/dbraw/zinc/58/82/35/782588235.db2.gz JEJNIQAEMAIJCX-GWCFXTLKSA-N 1 2 297.355 -1.536 20 0 CAADLO NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1COC2(C[NH+](CCCO)C2)C1 ZINC001053927194 782588296 /nfs/dbraw/zinc/58/82/96/782588296.db2.gz VHEHCHYFKOLTRC-AXFHLTTASA-N 1 2 297.355 -1.550 20 0 CAADLO Cn1ncc(C(=O)N[C@@H]2COC3(C[NH+](CCCO)C3)C2)n1 ZINC001053955972 782588575 /nfs/dbraw/zinc/58/85/75/782588575.db2.gz WIPIEEJKQUFCEE-JTQLQIEISA-N 1 2 295.343 -1.229 20 0 CAADLO Cn1cc(C(=O)N[C@H]2COC3(C[NH+](CCO)C3)C2)[nH]c1=O ZINC001053912861 782588602 /nfs/dbraw/zinc/58/86/02/782588602.db2.gz IDYSGDBCPQZESA-SECBINFHSA-N 1 2 296.327 -1.309 20 0 CAADLO Cn1ncc(C(=O)N[C@@H]2COC3(C[NH+](CCO)C3)C2)n1 ZINC001053956097 782591293 /nfs/dbraw/zinc/59/12/93/782591293.db2.gz ZIJOZUGDUKQRCK-VIFPVBQESA-N 1 2 281.316 -1.620 20 0 CAADLO C[C@]1(C(=O)N[C@H]2COC3(C[NH+](CCO)C3)C2)CCNC1=O ZINC001053925344 782589073 /nfs/dbraw/zinc/58/90/73/782589073.db2.gz JEJNIQAEMAIJCX-MFKMUULPSA-N 1 2 297.355 -1.536 20 0 CAADLO NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@H]1COC2(C[NH+](CCCO)C2)C1 ZINC001053927195 782589205 /nfs/dbraw/zinc/58/92/05/782589205.db2.gz VHEHCHYFKOLTRC-MXWKQRLJSA-N 1 2 297.355 -1.550 20 0 CAADLO C[C@@]1(C(=O)N[C@@H]2COC3(C[NH+](CCO)C3)C2)CCC(=O)N1 ZINC001053917230 782589601 /nfs/dbraw/zinc/58/96/01/782589601.db2.gz FSIVVBVEGNQRDD-GWCFXTLKSA-N 1 2 297.355 -1.393 20 0 CAADLO COC[C@H](C)[NH+]1CC2(C1)C[C@H](NC(=O)C(N)=O)CO2 ZINC001053913383 782589663 /nfs/dbraw/zinc/58/96/63/782589663.db2.gz OKKBZGQNXFDFHA-IUCAKERBSA-N 1 2 271.317 -1.534 20 0 CAADLO C[C@@H](O)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1cnn(C)n1)CO2 ZINC001053956297 782590010 /nfs/dbraw/zinc/59/00/10/782590010.db2.gz COLIZXKKVUUZMI-NXEZZACHSA-N 1 2 295.343 -1.231 20 0 CAADLO CC[NH+]1CC2(C1)C[C@@H](NC(=O)CN1CC(=O)NC1=O)CO2 ZINC001053958851 782591321 /nfs/dbraw/zinc/59/13/21/782591321.db2.gz MSEAWSNAABMKPT-SECBINFHSA-N 1 2 296.327 -1.482 20 0 CAADLO O=C(Cc1nc[nH]n1)N[C@H]1COC2(C[NH+](CCCO)C2)C1 ZINC001053977333 782590684 /nfs/dbraw/zinc/59/06/84/782590684.db2.gz SGBUASWHQSINHI-SNVBAGLBSA-N 1 2 295.343 -1.311 20 0 CAADLO NC(=O)CN1CC2(C1)C[C@H](NC(=O)Cc1[nH]cc[nH+]1)CO2 ZINC001053968164 782590885 /nfs/dbraw/zinc/59/08/85/782590885.db2.gz KSGLINRYHGBZPX-VIFPVBQESA-N 1 2 293.327 -1.603 20 0 CAADLO O=C(N[C@H]1COC2(C[NH+](CCCO)C2)C1)[C@@H]1CNC(=O)N1 ZINC001053909402 782585378 /nfs/dbraw/zinc/58/53/78/782585378.db2.gz DZGAZHHQOKKULL-ZJUUUORDSA-N 1 2 298.343 -1.990 20 0 CAADLO CN1CC[C@@H](C(=O)N[C@@H]2COC3(C[NH+](CCO)C3)C2)C1=O ZINC001053893059 782585457 /nfs/dbraw/zinc/58/54/57/782585457.db2.gz JAFMNEAOOVCSFZ-QWRGUYRKSA-N 1 2 297.355 -1.584 20 0 CAADLO C[C@@H]1CN(C(=O)CC(N)=O)C[C@@H]1[NH2+]Cc1nnn(C)n1 ZINC001054501016 782597595 /nfs/dbraw/zinc/59/75/95/782597595.db2.gz SRVDHNRNDYVEQK-SFYZADRCSA-N 1 2 281.320 -1.978 20 0 CAADLO C[C@@H](O)C[NH+]1CC2(C1)C[C@@H](NC(=O)Cc1nc[nH]n1)CO2 ZINC001053977990 782591461 /nfs/dbraw/zinc/59/14/61/782591461.db2.gz HDULBZRTXJGEOA-NXEZZACHSA-N 1 2 295.343 -1.313 20 0 CAADLO CCn1cc(C(=O)N[C@@H]2COC3(C[NH+](CCO)C3)C2)nn1 ZINC001053969350 782591537 /nfs/dbraw/zinc/59/15/37/782591537.db2.gz LVBOGUREWOBTGO-JTQLQIEISA-N 1 2 295.343 -1.137 20 0 CAADLO Cn1c[nH+]cc1CC(=O)N[C@@H]1COC2(CN(CCO)C2)C1 ZINC001053982405 782591710 /nfs/dbraw/zinc/59/17/10/782591710.db2.gz IVLSYGPFLNWVPE-NSHDSACASA-N 1 2 294.355 -1.086 20 0 CAADLO COCC[NH+]1CC2(C1)C[C@@H](NC(=O)Cn1cncn1)CO2 ZINC001054001392 782591843 /nfs/dbraw/zinc/59/18/43/782591843.db2.gz XSKRLFJGFCLDHG-LLVKDONJSA-N 1 2 295.343 -1.116 20 0 CAADLO O=C(Cn1cncn1)N[C@@H]1COC2(C[NH+](CCO)C2)C1 ZINC001054002139 782593701 /nfs/dbraw/zinc/59/37/01/782593701.db2.gz RNLNYBWHGYLEDZ-JTQLQIEISA-N 1 2 281.316 -1.770 20 0 CAADLO O=C(Cn1cc[nH+]c1)N[C@H]1COC2(CN(CCO)C2)C1 ZINC001054023921 782593741 /nfs/dbraw/zinc/59/37/41/782593741.db2.gz IXZRTKOCBHCGJI-LLVKDONJSA-N 1 2 280.328 -1.165 20 0 CAADLO COCC(=O)N1C[C@H](C)[C@H]([NH2+]Cc2nnn(C)n2)C1 ZINC001054302874 782593985 /nfs/dbraw/zinc/59/39/85/782593985.db2.gz GOKPGPMDCYSSJD-DTWKUNHWSA-N 1 2 268.321 -1.207 20 0 CAADLO C[C@@H]1CN(C(=O)CC(N)=O)C[C@H]1[NH2+]Cc1nnn(C)n1 ZINC001054500999 782598175 /nfs/dbraw/zinc/59/81/75/782598175.db2.gz SRVDHNRNDYVEQK-HTQZYQBOSA-N 1 2 281.320 -1.978 20 0 CAADLO C[C@@H]1CN(C(=O)C(N)=O)C[C@@H]1[NH2+]Cc1ncccn1 ZINC001055023671 782608935 /nfs/dbraw/zinc/60/89/35/782608935.db2.gz SARJNSVLFYIFCX-BDAKNGLRSA-N 1 2 263.301 -1.102 20 0 CAADLO C[C@@H]1CN(C(=O)C(N)=O)C[C@H]1[NH2+]Cc1csnn1 ZINC001055024017 782608143 /nfs/dbraw/zinc/60/81/43/782608143.db2.gz VWKNBEFANAUUNO-HTRCEHHLSA-N 1 2 269.330 -1.040 20 0 CAADLO C[C@H]1CN(C(=O)C(N)=O)C[C@H]1[NH2+]Cc1nncs1 ZINC001055027708 782608625 /nfs/dbraw/zinc/60/86/25/782608625.db2.gz ZFSKILPEFCASCT-NKWVEPMBSA-N 1 2 269.330 -1.040 20 0 CAADLO C[C@H]1CN(C(=O)C(N)=O)C[C@H]1[NH2+]Cc1cnsn1 ZINC001055023383 782606101 /nfs/dbraw/zinc/60/61/01/782606101.db2.gz PHKMMQHKCYUSIJ-POYBYMJQSA-N 1 2 269.330 -1.040 20 0 CAADLO C[C@@H]1CN(C(=O)C(N)=O)C[C@@H]1[NH2+]Cc1cnsn1 ZINC001055023384 782606415 /nfs/dbraw/zinc/60/64/15/782606415.db2.gz PHKMMQHKCYUSIJ-SVRRBLITSA-N 1 2 269.330 -1.040 20 0 CAADLO C[C@@H]1CN(C(=O)C(N)=O)C[C@H]1[NH2+]Cc1cnon1 ZINC001055022626 782606703 /nfs/dbraw/zinc/60/67/03/782606703.db2.gz DWBXPTPGGBXLHO-HTRCEHHLSA-N 1 2 253.262 -1.509 20 0 CAADLO C[C@H]1CN(C(=O)C(N)=O)C[C@H]1[NH2+]Cc1nc(N(C)C)no1 ZINC001055021443 782606934 /nfs/dbraw/zinc/60/69/34/782606934.db2.gz ZZMREZPMAOQXJT-JGVFFNPUSA-N 1 2 296.331 -1.443 20 0 CAADLO C[C@H]1CN(C(=O)C(N)=O)C[C@@H]1[NH2+]Cc1nc(N(C)C)no1 ZINC001055021445 782607219 /nfs/dbraw/zinc/60/72/19/782607219.db2.gz ZZMREZPMAOQXJT-YUMQZZPRSA-N 1 2 296.331 -1.443 20 0 CAADLO Cc1noc(C[NH2+][C@@H]2CN(C(=O)C(N)=O)C[C@@H]2C)n1 ZINC001055020151 782607362 /nfs/dbraw/zinc/60/73/62/782607362.db2.gz KQJNIXNFXFLWEH-POYBYMJQSA-N 1 2 267.289 -1.200 20 0 CAADLO O=C(CNC(=O)[C@H]1CCn2c[nH+]cc2C1)NCCO ZINC001137351407 782613039 /nfs/dbraw/zinc/61/30/39/782613039.db2.gz CBWSZEJSEJSMAB-VIFPVBQESA-N 1 2 266.301 -1.330 20 0 CAADLO CC(=O)N(CCO)CCNC(=O)Cc1[nH]cc[nH+]1 ZINC001056729937 782628345 /nfs/dbraw/zinc/62/83/45/782628345.db2.gz OVVQTALZYSMCAM-UHFFFAOYSA-N 1 2 254.290 -1.091 20 0 CAADLO COCCC(=O)N(CCO)CCNC(=O)Cc1[nH]cc[nH+]1 ZINC001056732717 782629305 /nfs/dbraw/zinc/62/93/05/782629305.db2.gz VEUKRQIVBIVSDR-UHFFFAOYSA-N 1 2 298.343 -1.074 20 0 CAADLO CC(=O)N(CCO)CCNC(=O)Cn1cc[nH+]c1 ZINC001056744233 782632205 /nfs/dbraw/zinc/63/22/05/782632205.db2.gz UIDFATGNRTXQSX-UHFFFAOYSA-N 1 2 254.290 -1.160 20 0 CAADLO CCOCC(=O)N(CCO)CCNC(=O)Cc1c[nH]c[nH+]1 ZINC001056868790 782641689 /nfs/dbraw/zinc/64/16/89/782641689.db2.gz GRKMNVFMRVNEHJ-UHFFFAOYSA-N 1 2 298.343 -1.074 20 0 CAADLO COCC(=O)N(CCO)CCNC(=O)CCc1c[nH]c[nH+]1 ZINC001056792364 782638875 /nfs/dbraw/zinc/63/88/75/782638875.db2.gz MAVDUBCGTDHPCX-UHFFFAOYSA-N 1 2 298.343 -1.074 20 0 CAADLO COCC(=O)N(CCO)CCNC(=O)CCc1c[nH+]c[nH]1 ZINC001056792364 782638878 /nfs/dbraw/zinc/63/88/78/782638878.db2.gz MAVDUBCGTDHPCX-UHFFFAOYSA-N 1 2 298.343 -1.074 20 0 CAADLO Cn1nncc1C[N@@H+]1C[C@@H]2CCCN(C(=O)C(N)=O)[C@@H]2C1 ZINC001050132023 782657885 /nfs/dbraw/zinc/65/78/85/782657885.db2.gz ZLMDMRWDRUTPOP-GXSJLCMTSA-N 1 2 292.343 -1.277 20 0 CAADLO Cn1nncc1C[N@H+]1C[C@@H]2CCCN(C(=O)C(N)=O)[C@@H]2C1 ZINC001050132023 782657890 /nfs/dbraw/zinc/65/78/90/782657890.db2.gz ZLMDMRWDRUTPOP-GXSJLCMTSA-N 1 2 292.343 -1.277 20 0 CAADLO Cn1ncc(C(=O)N2CCC[C@H]3C[N@H+](CC(N)=O)C[C@H]32)n1 ZINC001050161823 782658196 /nfs/dbraw/zinc/65/81/96/782658196.db2.gz IPTHTSKQBJZQNE-GXSJLCMTSA-N 1 2 292.343 -1.163 20 0 CAADLO Cn1ncc(C(=O)N2CCC[C@H]3C[N@@H+](CC(N)=O)C[C@H]32)n1 ZINC001050161823 782658205 /nfs/dbraw/zinc/65/82/05/782658205.db2.gz IPTHTSKQBJZQNE-GXSJLCMTSA-N 1 2 292.343 -1.163 20 0 CAADLO Cn1nnc(C(=O)N2CCC[C@H]3C[N@H+](CC(N)=O)C[C@H]32)n1 ZINC001050115550 782655621 /nfs/dbraw/zinc/65/56/21/782655621.db2.gz BUWACYIVKWKVJK-DTWKUNHWSA-N 1 2 293.331 -1.768 20 0 CAADLO Cn1nnc(C(=O)N2CCC[C@H]3C[N@@H+](CC(N)=O)C[C@H]32)n1 ZINC001050115550 782655628 /nfs/dbraw/zinc/65/56/28/782655628.db2.gz BUWACYIVKWKVJK-DTWKUNHWSA-N 1 2 293.331 -1.768 20 0 CAADLO COCC(=O)NCCN(CCO)C(=O)CCc1[nH]cc[nH+]1 ZINC001057457815 782665129 /nfs/dbraw/zinc/66/51/29/782665129.db2.gz DWJXCYDCIITZCX-UHFFFAOYSA-N 1 2 298.343 -1.074 20 0 CAADLO Cn1cnnc1C[NH+]1CCC2(CN(C(=O)C(N)=O)C2)CC1 ZINC001050642701 782668875 /nfs/dbraw/zinc/66/88/75/782668875.db2.gz KTEPABPFAWHGLX-UHFFFAOYSA-N 1 2 292.343 -1.275 20 0 CAADLO CC[N@@H+]1CCOC[C@H]1CNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001051059717 782685451 /nfs/dbraw/zinc/68/54/51/782685451.db2.gz CFQDNLWZULJVFO-ZJUUUORDSA-N 1 2 270.333 -1.153 20 0 CAADLO O=C(NC[C@@H]1COCC[N@H+]1CCCO)[C@H]1CCCNC1=O ZINC001050967042 782682147 /nfs/dbraw/zinc/68/21/47/782682147.db2.gz TUDKPYMJWUQDBH-NEPJUHHUSA-N 1 2 299.371 -1.288 20 0 CAADLO O=C(NC[C@@H]1COCC[N@@H+]1CCCO)[C@H]1CCCNC1=O ZINC001050967042 782682151 /nfs/dbraw/zinc/68/21/51/782682151.db2.gz TUDKPYMJWUQDBH-NEPJUHHUSA-N 1 2 299.371 -1.288 20 0 CAADLO CC[N@H+]1CCOC[C@H]1CNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001051059717 782685459 /nfs/dbraw/zinc/68/54/59/782685459.db2.gz CFQDNLWZULJVFO-ZJUUUORDSA-N 1 2 270.333 -1.153 20 0 CAADLO C[C@@H](O)C[N@@H+]1CCOC[C@@H]1CNC(=O)c1cnc[nH]c1=O ZINC001050971059 782682587 /nfs/dbraw/zinc/68/25/87/782682587.db2.gz ACMIJWAJZFNVOE-ZJUUUORDSA-N 1 2 296.327 -1.006 20 0 CAADLO C[C@@H](O)C[N@H+]1CCOC[C@@H]1CNC(=O)c1cnc[nH]c1=O ZINC001050971059 782682594 /nfs/dbraw/zinc/68/25/94/782682594.db2.gz ACMIJWAJZFNVOE-ZJUUUORDSA-N 1 2 296.327 -1.006 20 0 CAADLO O=C(NC[C@@H]1COCC[N@H+]1CCCO)c1cnc[nH]c1=O ZINC001050971807 782683955 /nfs/dbraw/zinc/68/39/55/782683955.db2.gz KWOWWFLSWYKIRP-SNVBAGLBSA-N 1 2 296.327 -1.005 20 0 CAADLO O=C(NC[C@@H]1COCC[N@@H+]1CCCO)c1cnc[nH]c1=O ZINC001050971807 782683964 /nfs/dbraw/zinc/68/39/64/782683964.db2.gz KWOWWFLSWYKIRP-SNVBAGLBSA-N 1 2 296.327 -1.005 20 0 CAADLO CC[N@@H+]1CCOC[C@H]1CNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001051059706 782685049 /nfs/dbraw/zinc/68/50/49/782685049.db2.gz CFQDNLWZULJVFO-NXEZZACHSA-N 1 2 270.333 -1.153 20 0 CAADLO CC[N@H+]1CCOC[C@H]1CNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001051059706 782685052 /nfs/dbraw/zinc/68/50/52/782685052.db2.gz CFQDNLWZULJVFO-NXEZZACHSA-N 1 2 270.333 -1.153 20 0 CAADLO C[C@@H](NC(=O)C(N)=O)[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001051059072 782685615 /nfs/dbraw/zinc/68/56/15/782685615.db2.gz IBXBANSNUOTKOA-NXEZZACHSA-N 1 2 293.327 -1.278 20 0 CAADLO CCC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CNC(=O)N1 ZINC001051090948 782688028 /nfs/dbraw/zinc/68/80/28/782688028.db2.gz JJBROUUHGYDRFP-UWVGGRQHSA-N 1 2 270.333 -1.105 20 0 CAADLO CCC[N@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CNC(=O)N1 ZINC001051090948 782688036 /nfs/dbraw/zinc/68/80/36/782688036.db2.gz JJBROUUHGYDRFP-UWVGGRQHSA-N 1 2 270.333 -1.105 20 0 CAADLO CN1CC[C@@H](C(=O)NC[C@@H]2COCC[N@@H+]2CCCO)C1=O ZINC001051077110 782688059 /nfs/dbraw/zinc/68/80/59/782688059.db2.gz KVWWTYKNUYGVJX-NEPJUHHUSA-N 1 2 299.371 -1.336 20 0 CAADLO CN1CC[C@@H](C(=O)NC[C@@H]2COCC[N@H+]2CCCO)C1=O ZINC001051077110 782688064 /nfs/dbraw/zinc/68/80/64/782688064.db2.gz KVWWTYKNUYGVJX-NEPJUHHUSA-N 1 2 299.371 -1.336 20 0 CAADLO CCC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CNC(=O)N1 ZINC001051090949 782688524 /nfs/dbraw/zinc/68/85/24/782688524.db2.gz JJBROUUHGYDRFP-VHSXEESVSA-N 1 2 270.333 -1.105 20 0 CAADLO CCC[N@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CNC(=O)N1 ZINC001051090949 782688527 /nfs/dbraw/zinc/68/85/27/782688527.db2.gz JJBROUUHGYDRFP-VHSXEESVSA-N 1 2 270.333 -1.105 20 0 CAADLO C[C@@H](O)C[N@@H+]1CCOC[C@@H]1CNC(=O)c1cn(C)c(=O)[nH]1 ZINC001051092464 782689436 /nfs/dbraw/zinc/68/94/36/782689436.db2.gz UDXQIDVGFXOEKP-ZJUUUORDSA-N 1 2 298.343 -1.063 20 0 CAADLO C[C@@H](O)C[N@H+]1CCOC[C@@H]1CNC(=O)c1cn(C)c(=O)[nH]1 ZINC001051092464 782689443 /nfs/dbraw/zinc/68/94/43/782689443.db2.gz UDXQIDVGFXOEKP-ZJUUUORDSA-N 1 2 298.343 -1.063 20 0 CAADLO O=C(NC[C@H]1COCC[N@H+]1CCCF)[C@@H]1CNC(=O)N1 ZINC001051097193 782689830 /nfs/dbraw/zinc/68/98/30/782689830.db2.gz WUFUQLIAYMNHSK-UWVGGRQHSA-N 1 2 288.323 -1.156 20 0 CAADLO O=C(NC[C@H]1COCC[N@@H+]1CCCF)[C@@H]1CNC(=O)N1 ZINC001051097193 782689832 /nfs/dbraw/zinc/68/98/32/782689832.db2.gz WUFUQLIAYMNHSK-UWVGGRQHSA-N 1 2 288.323 -1.156 20 0 CAADLO CCC[N@@H+]1CCOC[C@H]1CNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001051139221 782690591 /nfs/dbraw/zinc/69/05/91/782690591.db2.gz FOZJXAPBEPFIAA-ZJUUUORDSA-N 1 2 298.343 -1.189 20 0 CAADLO CCC[N@H+]1CCOC[C@H]1CNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001051139221 782690595 /nfs/dbraw/zinc/69/05/95/782690595.db2.gz FOZJXAPBEPFIAA-ZJUUUORDSA-N 1 2 298.343 -1.189 20 0 CAADLO CC[N@@H+]1CCOC[C@@H]1CNC(=O)C1CC(=O)NC(=O)C1 ZINC001051163982 782691111 /nfs/dbraw/zinc/69/11/11/782691111.db2.gz MTIYNTXTOYBCJR-JTQLQIEISA-N 1 2 283.328 -1.124 20 0 CAADLO CC[N@H+]1CCOC[C@@H]1CNC(=O)C1CC(=O)NC(=O)C1 ZINC001051163982 782691118 /nfs/dbraw/zinc/69/11/18/782691118.db2.gz MTIYNTXTOYBCJR-JTQLQIEISA-N 1 2 283.328 -1.124 20 0 CAADLO C[C@@H](NC(=O)Cc1[nH]cc[nH+]1)[C@H]1CCN(C(=O)C(N)=O)C1 ZINC001051458828 782695359 /nfs/dbraw/zinc/69/53/59/782695359.db2.gz BRMHKGAAVJAGHB-BDAKNGLRSA-N 1 2 293.327 -1.209 20 0 CAADLO C[C@H](NC(=O)C(N)=O)[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001051420051 782696101 /nfs/dbraw/zinc/69/61/01/782696101.db2.gz ZLGNIDIXDXTPCB-DTWKUNHWSA-N 1 2 293.327 -1.209 20 0 CAADLO C[C@@H](NC(=O)Cc1c[nH]c[nH+]1)[C@@H]1CCN(C(=O)C(N)=O)C1 ZINC001051471157 782697450 /nfs/dbraw/zinc/69/74/50/782697450.db2.gz VJLMUAYHWFKSJC-RKDXNWHRSA-N 1 2 293.327 -1.209 20 0 CAADLO CC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001051248237 782693684 /nfs/dbraw/zinc/69/36/84/782693684.db2.gz XHENARWLKZQONB-VHSXEESVSA-N 1 2 291.373 -1.485 20 0 CAADLO CC[N@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001051248237 782693688 /nfs/dbraw/zinc/69/36/88/782693688.db2.gz XHENARWLKZQONB-VHSXEESVSA-N 1 2 291.373 -1.485 20 0 CAADLO NC(=O)CC(=O)N1CCO[C@@H](C[NH2+]Cc2cnsn2)C1 ZINC001051505759 782699023 /nfs/dbraw/zinc/69/90/23/782699023.db2.gz SGQWLLDOFPWRAB-VIFPVBQESA-N 1 2 299.356 -1.270 20 0 CAADLO Cc1nc(N2CC[C@@H](NC(=O)C(N)=O)[C@@H](O)C2)cc[nH+]1 ZINC001051766331 782701661 /nfs/dbraw/zinc/70/16/61/782701661.db2.gz IDRXZVIHMBUBLQ-BDAKNGLRSA-N 1 2 279.300 -1.674 20 0 CAADLO C[C@@H]([NH2+]C[C@H]1CN(C(=O)C(N)=O)CCO1)c1csnn1 ZINC001051794459 782705804 /nfs/dbraw/zinc/70/58/04/782705804.db2.gz NPZAYFQQBKXJFK-SFYZADRCSA-N 1 2 299.356 -1.099 20 0 CAADLO CCc1nnc(C[NH2+]C[C@H]2CN(C(=O)C(N)=O)CCO2)o1 ZINC001051794928 782706406 /nfs/dbraw/zinc/70/64/06/782706406.db2.gz WWNUWPSAVYOSPE-QMMMGPOBSA-N 1 2 297.315 -1.566 20 0 CAADLO C[C@@H]([NH2+]C[C@@H]1CN(C(=O)C(N)=O)CCO1)c1csnn1 ZINC001051794457 782706759 /nfs/dbraw/zinc/70/67/59/782706759.db2.gz NPZAYFQQBKXJFK-HTQZYQBOSA-N 1 2 299.356 -1.099 20 0 CAADLO Cc1nnc([C@H](C)[NH2+]C[C@@H]2CN(C(=O)C(N)=O)CCO2)o1 ZINC001051794668 782707014 /nfs/dbraw/zinc/70/70/14/782707014.db2.gz RDLPNXGNMXQTEP-IONNQARKSA-N 1 2 297.315 -1.259 20 0 CAADLO CNC(=O)CN1CC[NH+]([C@@H]2CCN(C(C)=O)C2)CC1 ZINC001051954877 782709886 /nfs/dbraw/zinc/70/98/86/782709886.db2.gz AHCBBKSUQJUFNJ-GFCCVEGCSA-N 1 2 268.361 -1.029 20 0 CAADLO NC(=O)CC(=O)N1CC[C@H]([NH+]2CCN(CCCO)CC2)C1 ZINC001052002006 782709900 /nfs/dbraw/zinc/70/99/00/782709900.db2.gz BVBAQRSLEOSKJS-LBPRGKRZSA-N 1 2 298.387 -1.537 20 0 CAADLO COCC(=O)N1CC[C@@H]([NH+]2CCN([C@@H](C)C(N)=O)CC2)C1 ZINC001051956175 782709170 /nfs/dbraw/zinc/70/91/70/782709170.db2.gz KJHHQCMREASYRE-NWDGAFQWSA-N 1 2 298.387 -1.275 20 0 CAADLO CO[C@@H](C)C(=O)N1CC[C@H]([NH+]2CCN(CC(N)=O)CC2)C1 ZINC001051992001 782709555 /nfs/dbraw/zinc/70/95/55/782709555.db2.gz PZDLCXCRHMPKFG-RYUDHWBXSA-N 1 2 298.387 -1.275 20 0 CAADLO CC(=O)N1CC[C@H]([NH+]2CCN(CC(N)=O)CC2)C1 ZINC001051961547 782710551 /nfs/dbraw/zinc/71/05/51/782710551.db2.gz WMIKMZCPYAZEMN-NSHDSACASA-N 1 2 254.334 -1.290 20 0 CAADLO COCC(=O)NCCN(CCO)C(=O)Cn1cc[nH+]c1 ZINC001057994242 782720727 /nfs/dbraw/zinc/72/07/27/782720727.db2.gz OVQTYVVGNZPFLC-UHFFFAOYSA-N 1 2 284.316 -1.533 20 0 CAADLO NC(=O)C(=O)NCCN(CCO)C(=O)Cn1cc[nH+]c1 ZINC001057996777 782721702 /nfs/dbraw/zinc/72/17/02/782721702.db2.gz XNFBXWXIAALQNK-UHFFFAOYSA-N 1 2 283.288 -2.695 20 0 CAADLO NC(=O)C(=O)NCCN(CCO)C(=O)CCn1cc[nH+]c1 ZINC001058200443 782723492 /nfs/dbraw/zinc/72/34/92/782723492.db2.gz GHRCXUNIOOCEJO-UHFFFAOYSA-N 1 2 297.315 -2.304 20 0 CAADLO CC(=O)NCCN(CCO)C(=O)Cc1c[nH+]cn1C ZINC001058159287 782724051 /nfs/dbraw/zinc/72/40/51/782724051.db2.gz CVZWSNLIBBMIOH-UHFFFAOYSA-N 1 2 268.317 -1.080 20 0 CAADLO COCC(=O)NCCN(CCO)C(=O)Cc1c[nH+]cn1C ZINC001058158296 782724174 /nfs/dbraw/zinc/72/41/74/782724174.db2.gz VEFSZJAHPDAESZ-UHFFFAOYSA-N 1 2 298.343 -1.454 20 0 CAADLO Cc1[nH+]c[nH]c1CC(=O)N(CCO)CCNC(=O)C(N)=O ZINC001058263539 782725804 /nfs/dbraw/zinc/72/58/04/782725804.db2.gz PDIDZJHOGLJHPB-UHFFFAOYSA-N 1 2 297.315 -2.317 20 0 CAADLO CN(CCCN(C)C(=O)C(N)=O)C(=O)Cc1c[nH+]c[nH]1 ZINC001068053826 782732636 /nfs/dbraw/zinc/73/26/36/782732636.db2.gz BEJOAWVNAKBYMW-UHFFFAOYSA-N 1 2 281.316 -1.256 20 0 CAADLO CC(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@@H]1n1ccnn1 ZINC001069884278 782741052 /nfs/dbraw/zinc/74/10/52/782741052.db2.gz BTOPGABMPHLDGN-MNOVXSKESA-N 1 2 280.332 -1.272 20 0 CAADLO CC(=O)N[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@@H]1n1ccnn1 ZINC001069884278 782741062 /nfs/dbraw/zinc/74/10/62/782741062.db2.gz BTOPGABMPHLDGN-MNOVXSKESA-N 1 2 280.332 -1.272 20 0 CAADLO CC[C@H](C(N)=O)[N@@H+]1C[C@@H](NC(C)=O)[C@@H](n2ccnn2)C1 ZINC001069886047 782741085 /nfs/dbraw/zinc/74/10/85/782741085.db2.gz KKISHELOHJBJIF-MXWKQRLJSA-N 1 2 280.332 -1.097 20 0 CAADLO CC[C@H](C(N)=O)[N@H+]1C[C@@H](NC(C)=O)[C@@H](n2ccnn2)C1 ZINC001069886047 782741092 /nfs/dbraw/zinc/74/10/92/782741092.db2.gz KKISHELOHJBJIF-MXWKQRLJSA-N 1 2 280.332 -1.097 20 0 CAADLO CC(=O)N[C@@H]1C[N@@H+]([C@H]2CCN(C)C2=O)C[C@@H]1n1ccnn1 ZINC001069885947 782741628 /nfs/dbraw/zinc/74/16/28/782741628.db2.gz FRHUAMQVIDWXEH-WOPDTQHZSA-N 1 2 292.343 -1.130 20 0 CAADLO CC(=O)N[C@@H]1C[N@H+]([C@H]2CCN(C)C2=O)C[C@@H]1n1ccnn1 ZINC001069885947 782741634 /nfs/dbraw/zinc/74/16/34/782741634.db2.gz FRHUAMQVIDWXEH-WOPDTQHZSA-N 1 2 292.343 -1.130 20 0 CAADLO Cn1nc(C(=O)N2CCC[N@H+](CC(N)=O)CC2)ccc1=O ZINC000149835303 782744130 /nfs/dbraw/zinc/74/41/30/782744130.db2.gz MAUCDIZVXGHJDD-UHFFFAOYSA-N 1 2 293.327 -1.587 20 0 CAADLO Cn1nc(C(=O)N2CCC[N@@H+](CC(N)=O)CC2)ccc1=O ZINC000149835303 782744133 /nfs/dbraw/zinc/74/41/33/782744133.db2.gz MAUCDIZVXGHJDD-UHFFFAOYSA-N 1 2 293.327 -1.587 20 0 CAADLO O=C(N[C@@H]1C[N@@H+](CCO)C[C@@H]1n1ccnn1)c1nnc[nH]1 ZINC001070056680 782745194 /nfs/dbraw/zinc/74/51/94/782745194.db2.gz MLHWQSWKMMOOFZ-BDAKNGLRSA-N 1 2 292.303 -1.956 20 0 CAADLO O=C(N[C@@H]1C[N@H+](CCO)C[C@@H]1n1ccnn1)c1nnc[nH]1 ZINC001070056680 782745203 /nfs/dbraw/zinc/74/52/03/782745203.db2.gz MLHWQSWKMMOOFZ-BDAKNGLRSA-N 1 2 292.303 -1.956 20 0 CAADLO CC(=O)N1C[C@@H]([NH2+]Cc2ncnn2C)[C@@H](n2ccnn2)C1 ZINC001070110574 782745312 /nfs/dbraw/zinc/74/53/12/782745312.db2.gz XNNRSESRQHUDRY-MNOVXSKESA-N 1 2 290.331 -1.032 20 0 CAADLO O=C(N[C@@H]1C[N@@H+](CCO)C[C@@H]1n1ccnn1)c1cnon1 ZINC001070058812 782745542 /nfs/dbraw/zinc/74/55/42/782745542.db2.gz WAPINGFJVUBNNY-ZJUUUORDSA-N 1 2 293.287 -1.691 20 0 CAADLO O=C(N[C@@H]1C[N@H+](CCO)C[C@@H]1n1ccnn1)c1cnon1 ZINC001070058812 782745549 /nfs/dbraw/zinc/74/55/49/782745549.db2.gz WAPINGFJVUBNNY-ZJUUUORDSA-N 1 2 293.287 -1.691 20 0 CAADLO COCC(=O)N1CCC(=O)NCC[N@@H+](CCO)CC1 ZINC001070924208 782755318 /nfs/dbraw/zinc/75/53/18/782755318.db2.gz IUWNIMCSHNXFST-UHFFFAOYSA-N 1 2 273.333 -1.724 20 0 CAADLO COCC(=O)N1CCC(=O)NCC[N@H+](CCO)CC1 ZINC001070924208 782755320 /nfs/dbraw/zinc/75/53/20/782755320.db2.gz IUWNIMCSHNXFST-UHFFFAOYSA-N 1 2 273.333 -1.724 20 0 CAADLO CC(=O)N1CCC(=O)NCC[N@@H+](CCn2cncn2)CC1 ZINC001070927899 782755166 /nfs/dbraw/zinc/75/51/66/782755166.db2.gz JUXJRTWJOVJLPP-UHFFFAOYSA-N 1 2 294.359 -1.052 20 0 CAADLO CC(=O)N1CCC(=O)NCC[N@H+](CCn2cncn2)CC1 ZINC001070927899 782755171 /nfs/dbraw/zinc/75/51/71/782755171.db2.gz JUXJRTWJOVJLPP-UHFFFAOYSA-N 1 2 294.359 -1.052 20 0 CAADLO CN(C)C(=O)C[N@@H+]1CCCN(C(=O)Cn2cncn2)CC1 ZINC000073807672 782753855 /nfs/dbraw/zinc/75/38/55/782753855.db2.gz JLMLQRFUJUHVQZ-UHFFFAOYSA-N 1 2 294.359 -1.099 20 0 CAADLO CN(C)C(=O)C[N@H+]1CCCN(C(=O)Cn2cncn2)CC1 ZINC000073807672 782753863 /nfs/dbraw/zinc/75/38/63/782753863.db2.gz JLMLQRFUJUHVQZ-UHFFFAOYSA-N 1 2 294.359 -1.099 20 0 CAADLO O=C([C@@H]1CCOC1)N1CCC(=O)NCC[N@@H+](CCO)CC1 ZINC001070947099 782755545 /nfs/dbraw/zinc/75/55/45/782755545.db2.gz JFHURLOEXQTHSK-GFCCVEGCSA-N 1 2 299.371 -1.334 20 0 CAADLO O=C([C@@H]1CCOC1)N1CCC(=O)NCC[N@H+](CCO)CC1 ZINC001070947099 782755552 /nfs/dbraw/zinc/75/55/52/782755552.db2.gz JFHURLOEXQTHSK-GFCCVEGCSA-N 1 2 299.371 -1.334 20 0 CAADLO COCC[N@@H+]1CCNC(=O)CCN(C(=O)COC)CC1 ZINC001070924949 782755870 /nfs/dbraw/zinc/75/58/70/782755870.db2.gz YVQYNUIUSOCJSK-UHFFFAOYSA-N 1 2 287.360 -1.070 20 0 CAADLO COCC[N@H+]1CCNC(=O)CCN(C(=O)COC)CC1 ZINC001070924949 782755879 /nfs/dbraw/zinc/75/58/79/782755879.db2.gz YVQYNUIUSOCJSK-UHFFFAOYSA-N 1 2 287.360 -1.070 20 0 CAADLO O=C(c1cc[nH]n1)N1CCC(=O)NCC[N@@H+](CCO)CC1 ZINC001070943439 782756042 /nfs/dbraw/zinc/75/60/42/782756042.db2.gz PSPJZVTUTMHMQZ-UHFFFAOYSA-N 1 2 295.343 -1.334 20 0 CAADLO O=C(c1cc[nH]n1)N1CCC(=O)NCC[N@H+](CCO)CC1 ZINC001070943439 782756047 /nfs/dbraw/zinc/75/60/47/782756047.db2.gz PSPJZVTUTMHMQZ-UHFFFAOYSA-N 1 2 295.343 -1.334 20 0 CAADLO O=C(c1nc[nH]n1)N1CCC(=O)NCC[N@@H+](CCO)CC1 ZINC001071009196 782757426 /nfs/dbraw/zinc/75/74/26/782757426.db2.gz DTXVMWWTGONVHG-UHFFFAOYSA-N 1 2 296.331 -1.939 20 0 CAADLO O=C(c1nc[nH]n1)N1CCC(=O)NCC[N@H+](CCO)CC1 ZINC001071009196 782757430 /nfs/dbraw/zinc/75/74/30/782757430.db2.gz DTXVMWWTGONVHG-UHFFFAOYSA-N 1 2 296.331 -1.939 20 0 CAADLO COCC(=O)N1C[C@@H](C)O[C@@]2(CC[N@H+](CC(N)=O)C2)C1 ZINC001071112920 782757708 /nfs/dbraw/zinc/75/77/08/782757708.db2.gz HEEBFQHCDUOUFT-ZWNOBZJWSA-N 1 2 285.344 -1.190 20 0 CAADLO COCC(=O)N1C[C@@H](C)O[C@@]2(CC[N@@H+](CC(N)=O)C2)C1 ZINC001071112920 782757713 /nfs/dbraw/zinc/75/77/13/782757713.db2.gz HEEBFQHCDUOUFT-ZWNOBZJWSA-N 1 2 285.344 -1.190 20 0 CAADLO NC(=O)C(=O)N1CCC(=O)NCC[N@@H+](CCCF)CC1 ZINC001070993439 782757730 /nfs/dbraw/zinc/75/77/30/782757730.db2.gz AJVBHAZWOSUQJZ-UHFFFAOYSA-N 1 2 288.323 -1.518 20 0 CAADLO NC(=O)C(=O)N1CCC(=O)NCC[N@H+](CCCF)CC1 ZINC001070993439 782757735 /nfs/dbraw/zinc/75/77/35/782757735.db2.gz AJVBHAZWOSUQJZ-UHFFFAOYSA-N 1 2 288.323 -1.518 20 0 CAADLO C[C@H]1CC[C@@H](NC(=O)Cn2cnnn2)C[N@@H+]1CC(N)=O ZINC001071340774 782761024 /nfs/dbraw/zinc/76/10/24/782761024.db2.gz UBAFATAHCUEOLV-DTWKUNHWSA-N 1 2 281.320 -1.873 20 0 CAADLO C[C@H]1CC[C@@H](NC(=O)Cn2cnnn2)C[N@H+]1CC(N)=O ZINC001071340774 782761032 /nfs/dbraw/zinc/76/10/32/782761032.db2.gz UBAFATAHCUEOLV-DTWKUNHWSA-N 1 2 281.320 -1.873 20 0 CAADLO CC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](CC(=O)N2CCNC(=O)C2)C1 ZINC001071286108 782761092 /nfs/dbraw/zinc/76/10/92/782761092.db2.gz PORKFFJBAXQQDM-ZYHUDNBSSA-N 1 2 296.371 -1.066 20 0 CAADLO CC(=O)N[C@@H]1CC[C@@H](C)[N@H+](CC(=O)N2CCNC(=O)C2)C1 ZINC001071286108 782761099 /nfs/dbraw/zinc/76/10/99/782761099.db2.gz PORKFFJBAXQQDM-ZYHUDNBSSA-N 1 2 296.371 -1.066 20 0 CAADLO NC(=O)C(=O)N1CCC[C@@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001071222166 782761199 /nfs/dbraw/zinc/76/11/99/782761199.db2.gz HNWPAOPQBRJKRC-SNVBAGLBSA-N 1 2 293.327 -1.134 20 0 CAADLO NC(=O)C(=O)N1CCC[C@@H](NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001071219512 782759013 /nfs/dbraw/zinc/75/90/13/782759013.db2.gz VXACANMKAKDUSI-SECBINFHSA-N 1 2 293.327 -1.065 20 0 CAADLO C[C@H]1CN(C(=O)C(N)=O)C[C@]2(CC[N@H+](CC(N)=O)C2)O1 ZINC001071207610 782759189 /nfs/dbraw/zinc/75/91/89/782759189.db2.gz ZFUYQIJASNSSKZ-QPUJVOFHSA-N 1 2 284.316 -2.351 20 0 CAADLO C[C@H]1CN(C(=O)C(N)=O)C[C@]2(CC[N@@H+](CC(N)=O)C2)O1 ZINC001071207610 782759195 /nfs/dbraw/zinc/75/91/95/782759195.db2.gz ZFUYQIJASNSSKZ-QPUJVOFHSA-N 1 2 284.316 -2.351 20 0 CAADLO C[C@@H]1CN(C(=O)CC(N)=O)C[C@]2(CC[N@H+](CC(N)=O)C2)O1 ZINC001071149582 782759224 /nfs/dbraw/zinc/75/92/24/782759224.db2.gz OLOPPBZOJMGPRR-NOZJJQNGSA-N 1 2 298.343 -1.961 20 0 CAADLO C[C@@H]1CN(C(=O)CC(N)=O)C[C@]2(CC[N@@H+](CC(N)=O)C2)O1 ZINC001071149582 782759234 /nfs/dbraw/zinc/75/92/34/782759234.db2.gz OLOPPBZOJMGPRR-NOZJJQNGSA-N 1 2 298.343 -1.961 20 0 CAADLO C[C@@H]1CC[C@H](NC(=O)Cn2cnnn2)C[N@@H+]1CC(N)=O ZINC001071340773 782761217 /nfs/dbraw/zinc/76/12/17/782761217.db2.gz UBAFATAHCUEOLV-BDAKNGLRSA-N 1 2 281.320 -1.873 20 0 CAADLO CC[N@@H+]1CCN([C@H]2CCCN(C(=O)C(N)=O)C2)C(=O)C1 ZINC001071272184 782760260 /nfs/dbraw/zinc/76/02/60/782760260.db2.gz IDIVRRKBFLHRCD-JTQLQIEISA-N 1 2 282.344 -1.373 20 0 CAADLO CC[N@H+]1CCN([C@H]2CCCN(C(=O)C(N)=O)C2)C(=O)C1 ZINC001071272184 782760267 /nfs/dbraw/zinc/76/02/67/782760267.db2.gz IDIVRRKBFLHRCD-JTQLQIEISA-N 1 2 282.344 -1.373 20 0 CAADLO CC(=O)N1CC(C(=O)N[C@@H]2CC[C@H](C)[N@@H+](CC(N)=O)C2)C1 ZINC001071460989 782761862 /nfs/dbraw/zinc/76/18/62/782761862.db2.gz POHFBBJNAAEIFH-JOYOIKCWSA-N 1 2 296.371 -1.081 20 0 CAADLO CC(=O)N1CC(C(=O)N[C@@H]2CC[C@H](C)[N@H+](CC(N)=O)C2)C1 ZINC001071460989 782761867 /nfs/dbraw/zinc/76/18/67/782761867.db2.gz POHFBBJNAAEIFH-JOYOIKCWSA-N 1 2 296.371 -1.081 20 0 CAADLO C[C@@H]1CC[C@H](NC(=O)c2ncn(C)n2)C[N@@H+]1CC(N)=O ZINC001071488747 782763358 /nfs/dbraw/zinc/76/33/58/782763358.db2.gz WEPRGLKNUXPTQB-BDAKNGLRSA-N 1 2 280.332 -1.117 20 0 CAADLO C[C@@H]1CC[C@H](NC(=O)c2ncn(C)n2)C[N@H+]1CC(N)=O ZINC001071488747 782763364 /nfs/dbraw/zinc/76/33/64/782763364.db2.gz WEPRGLKNUXPTQB-BDAKNGLRSA-N 1 2 280.332 -1.117 20 0 CAADLO C[C@H]1CC[C@H](NC(=O)Cn2ncnn2)C[N@@H+]1CC(N)=O ZINC001071514467 782763668 /nfs/dbraw/zinc/76/36/68/782763668.db2.gz MQBQZZSLFCVFAJ-IUCAKERBSA-N 1 2 281.320 -1.873 20 0 CAADLO C[C@H]1CC[C@H](NC(=O)Cn2ncnn2)C[N@H+]1CC(N)=O ZINC001071514467 782763677 /nfs/dbraw/zinc/76/36/77/782763677.db2.gz MQBQZZSLFCVFAJ-IUCAKERBSA-N 1 2 281.320 -1.873 20 0 CAADLO C[C@@H]1CC[C@@H](NC(=O)c2cnnn2C)C[N@@H+]1CC(N)=O ZINC001071482278 782763833 /nfs/dbraw/zinc/76/38/33/782763833.db2.gz WRSYNYQRBBCHCG-RKDXNWHRSA-N 1 2 280.332 -1.117 20 0 CAADLO C[C@@H]1CC[C@@H](NC(=O)c2cnnn2C)C[N@H+]1CC(N)=O ZINC001071482278 782763843 /nfs/dbraw/zinc/76/38/43/782763843.db2.gz WRSYNYQRBBCHCG-RKDXNWHRSA-N 1 2 280.332 -1.117 20 0 CAADLO C[C@@H]1CC[C@H](NC(=O)c2cnnn2C)C[N@@H+]1CC(N)=O ZINC001071482275 782764033 /nfs/dbraw/zinc/76/40/33/782764033.db2.gz WRSYNYQRBBCHCG-BDAKNGLRSA-N 1 2 280.332 -1.117 20 0 CAADLO C[C@@H]1CC[C@H](NC(=O)c2cnnn2C)C[N@H+]1CC(N)=O ZINC001071482275 782764039 /nfs/dbraw/zinc/76/40/39/782764039.db2.gz WRSYNYQRBBCHCG-BDAKNGLRSA-N 1 2 280.332 -1.117 20 0 CAADLO C[C@@H]1CC[C@@H](NC(=O)C2CS(=O)(=O)C2)C[N@@H+]1CCO ZINC001071531501 782764583 /nfs/dbraw/zinc/76/45/83/782764583.db2.gz MJHZAHNIZBQTAH-MWLCHTKSSA-N 1 2 290.385 -1.008 20 0 CAADLO C[C@@H]1CC[C@@H](NC(=O)C2CS(=O)(=O)C2)C[N@H+]1CCO ZINC001071531501 782764593 /nfs/dbraw/zinc/76/45/93/782764593.db2.gz MJHZAHNIZBQTAH-MWLCHTKSSA-N 1 2 290.385 -1.008 20 0 CAADLO C[C@H]1CC[C@@H](NC(=O)Cn2nccn2)C[N@@H+]1CC(N)=O ZINC001071538672 782765108 /nfs/dbraw/zinc/76/51/08/782765108.db2.gz HMNGRHZUTQDDDF-VHSXEESVSA-N 1 2 280.332 -1.268 20 0 CAADLO C[C@H]1CC[C@@H](NC(=O)Cn2nccn2)C[N@H+]1CC(N)=O ZINC001071538672 782765114 /nfs/dbraw/zinc/76/51/14/782765114.db2.gz HMNGRHZUTQDDDF-VHSXEESVSA-N 1 2 280.332 -1.268 20 0 CAADLO C[C@@H]1CC[C@H](NC(=O)Cn2cnnn2)C[N@H+]1CC(N)=O ZINC001071340773 782761223 /nfs/dbraw/zinc/76/12/23/782761223.db2.gz UBAFATAHCUEOLV-BDAKNGLRSA-N 1 2 281.320 -1.873 20 0 CAADLO CNC(=O)C[N@@H+]1C[C@H](NC(=O)C(N)=O)CC[C@@H]1C ZINC001071778932 782767802 /nfs/dbraw/zinc/76/78/02/782767802.db2.gz BMZWYELJHYEPDU-JGVFFNPUSA-N 1 2 256.306 -1.813 20 0 CAADLO CNC(=O)C[N@H+]1C[C@H](NC(=O)C(N)=O)CC[C@@H]1C ZINC001071778932 782767807 /nfs/dbraw/zinc/76/78/07/782767807.db2.gz BMZWYELJHYEPDU-JGVFFNPUSA-N 1 2 256.306 -1.813 20 0 CAADLO CNC(=O)C[N@@H+]1C[C@@H](NC(=O)c2nnn(C)n2)CC[C@H]1C ZINC001071743539 782767826 /nfs/dbraw/zinc/76/78/26/782767826.db2.gz AENAJUFCCWBBJN-BDAKNGLRSA-N 1 2 295.347 -1.461 20 0 CAADLO CNC(=O)C[N@H+]1C[C@@H](NC(=O)c2nnn(C)n2)CC[C@H]1C ZINC001071743539 782767829 /nfs/dbraw/zinc/76/78/29/782767829.db2.gz AENAJUFCCWBBJN-BDAKNGLRSA-N 1 2 295.347 -1.461 20 0 CAADLO C[C@@H]1CC[C@H](NC(=O)c2nnn(C)n2)C[N@@H+]1CC(N)=O ZINC001071743897 782768329 /nfs/dbraw/zinc/76/83/29/782768329.db2.gz HETBRNKBSRAASN-SFYZADRCSA-N 1 2 281.320 -1.722 20 0 CAADLO C[C@@H]1CC[C@H](NC(=O)c2nnn(C)n2)C[N@H+]1CC(N)=O ZINC001071743897 782768337 /nfs/dbraw/zinc/76/83/37/782768337.db2.gz HETBRNKBSRAASN-SFYZADRCSA-N 1 2 281.320 -1.722 20 0 CAADLO CNC(=O)C[N@@H+]1C[C@@H](NC(=O)c2nnn(C)n2)CC[C@@H]1C ZINC001071743541 782768359 /nfs/dbraw/zinc/76/83/59/782768359.db2.gz AENAJUFCCWBBJN-IUCAKERBSA-N 1 2 295.347 -1.461 20 0 CAADLO CNC(=O)C[N@H+]1C[C@@H](NC(=O)c2nnn(C)n2)CC[C@@H]1C ZINC001071743541 782768365 /nfs/dbraw/zinc/76/83/65/782768365.db2.gz AENAJUFCCWBBJN-IUCAKERBSA-N 1 2 295.347 -1.461 20 0 CAADLO CNC(=O)C[N@@H+]1C[C@@H](NC(=O)C(N)=O)CC[C@H]1C ZINC001071778933 782768525 /nfs/dbraw/zinc/76/85/25/782768525.db2.gz BMZWYELJHYEPDU-SFYZADRCSA-N 1 2 256.306 -1.813 20 0 CAADLO CNC(=O)C[N@H+]1C[C@@H](NC(=O)C(N)=O)CC[C@H]1C ZINC001071778933 782768529 /nfs/dbraw/zinc/76/85/29/782768529.db2.gz BMZWYELJHYEPDU-SFYZADRCSA-N 1 2 256.306 -1.813 20 0 CAADLO C[C@H]1CC[C@@H](NC(=O)C(N)=O)C[N@@H+]1CC(=O)N1CCC1 ZINC001071779949 782768570 /nfs/dbraw/zinc/76/85/70/782768570.db2.gz RIMKYKWCQOIPCU-VHSXEESVSA-N 1 2 282.344 -1.327 20 0 CAADLO C[C@H]1CC[C@@H](NC(=O)C(N)=O)C[N@H+]1CC(=O)N1CCC1 ZINC001071779949 782768577 /nfs/dbraw/zinc/76/85/77/782768577.db2.gz RIMKYKWCQOIPCU-VHSXEESVSA-N 1 2 282.344 -1.327 20 0 CAADLO C[C@@H]1CC[C@@H](NC(=O)C(N)=O)C[N@@H+]1CC(=O)NC1CC1 ZINC001071789123 782769817 /nfs/dbraw/zinc/76/98/17/782769817.db2.gz OTFSDTNJGPMCIH-PSASIEDQSA-N 1 2 282.344 -1.281 20 0 CAADLO C[C@@H]1CC[C@@H](NC(=O)C(N)=O)C[N@H+]1CC(=O)NC1CC1 ZINC001071789123 782769821 /nfs/dbraw/zinc/76/98/21/782769821.db2.gz OTFSDTNJGPMCIH-PSASIEDQSA-N 1 2 282.344 -1.281 20 0 CAADLO C[C@@H]1CC[C@@H](NC(=O)c2cnn(C)n2)C[N@@H+]1CC(N)=O ZINC001071892362 782771008 /nfs/dbraw/zinc/77/10/08/782771008.db2.gz FGHQXOVNRSCANH-RKDXNWHRSA-N 1 2 280.332 -1.117 20 0 CAADLO C[C@@H]1CC[C@@H](NC(=O)c2cnn(C)n2)C[N@H+]1CC(N)=O ZINC001071892362 782771012 /nfs/dbraw/zinc/77/10/12/782771012.db2.gz FGHQXOVNRSCANH-RKDXNWHRSA-N 1 2 280.332 -1.117 20 0 CAADLO C[C@H]1CC[C@H](NC(=O)Cc2nc[nH]n2)C[N@@H+]1CC(N)=O ZINC001071974388 782771848 /nfs/dbraw/zinc/77/18/48/782771848.db2.gz MXHGPOSFMGHELW-IUCAKERBSA-N 1 2 280.332 -1.198 20 0 CAADLO C[C@H]1CC[C@H](NC(=O)Cc2nc[nH]n2)C[N@H+]1CC(N)=O ZINC001071974388 782771853 /nfs/dbraw/zinc/77/18/53/782771853.db2.gz MXHGPOSFMGHELW-IUCAKERBSA-N 1 2 280.332 -1.198 20 0 CAADLO C[C@@H]1CC[C@@H](NC(=O)Cn2cncn2)C[N@@H+]1CC(N)=O ZINC001072051326 782772189 /nfs/dbraw/zinc/77/21/89/782772189.db2.gz HAPWSJQUEDMFLI-NXEZZACHSA-N 1 2 280.332 -1.268 20 0 CAADLO C[C@@H]1CC[C@@H](NC(=O)Cn2cncn2)C[N@H+]1CC(N)=O ZINC001072051326 782772194 /nfs/dbraw/zinc/77/21/94/782772194.db2.gz HAPWSJQUEDMFLI-NXEZZACHSA-N 1 2 280.332 -1.268 20 0 CAADLO C[C@H]1CC[C@H](NC(=O)Cn2cncn2)C[N@@H+]1CC(N)=O ZINC001072051335 782772350 /nfs/dbraw/zinc/77/23/50/782772350.db2.gz HAPWSJQUEDMFLI-UWVGGRQHSA-N 1 2 280.332 -1.268 20 0 CAADLO C[C@H]1CC[C@H](NC(=O)Cn2cncn2)C[N@H+]1CC(N)=O ZINC001072051335 782772354 /nfs/dbraw/zinc/77/23/54/782772354.db2.gz HAPWSJQUEDMFLI-UWVGGRQHSA-N 1 2 280.332 -1.268 20 0 CAADLO C[C@@H]1CC[C@H](NC(=O)Cc2nc[nH]n2)C[N@@H+]1CC(N)=O ZINC001071974380 782772488 /nfs/dbraw/zinc/77/24/88/782772488.db2.gz MXHGPOSFMGHELW-BDAKNGLRSA-N 1 2 280.332 -1.198 20 0 CAADLO C[C@@H]1CC[C@H](NC(=O)Cc2nc[nH]n2)C[N@H+]1CC(N)=O ZINC001071974380 782772492 /nfs/dbraw/zinc/77/24/92/782772492.db2.gz MXHGPOSFMGHELW-BDAKNGLRSA-N 1 2 280.332 -1.198 20 0 CAADLO C[C@H]1CC[C@@H](NC(=O)Cn2cncn2)C[N@@H+]1CC(N)=O ZINC001072051336 782772615 /nfs/dbraw/zinc/77/26/15/782772615.db2.gz HAPWSJQUEDMFLI-VHSXEESVSA-N 1 2 280.332 -1.268 20 0 CAADLO C[C@H]1CC[C@@H](NC(=O)Cn2cncn2)C[N@H+]1CC(N)=O ZINC001072051336 782772618 /nfs/dbraw/zinc/77/26/18/782772618.db2.gz HAPWSJQUEDMFLI-VHSXEESVSA-N 1 2 280.332 -1.268 20 0 CAADLO NC(=O)CC(=O)N1CC2(C1)CC[N@H+](Cc1cnon1)C2 ZINC001072565598 782776396 /nfs/dbraw/zinc/77/63/96/782776396.db2.gz IBWXCRQZHVVAPR-UHFFFAOYSA-N 1 2 279.300 -1.021 20 0 CAADLO NC(=O)CC(=O)N1CC2(C1)CC[N@@H+](Cc1cnon1)C2 ZINC001072565598 782776401 /nfs/dbraw/zinc/77/64/01/782776401.db2.gz IBWXCRQZHVVAPR-UHFFFAOYSA-N 1 2 279.300 -1.021 20 0 CAADLO NC(=O)C[N@@H+]1CCC2(CN(C(=O)CCc3nnc[nH]3)C2)C1 ZINC001072595744 782778981 /nfs/dbraw/zinc/77/89/81/782778981.db2.gz JBPOITMQUXUBAK-UHFFFAOYSA-N 1 2 292.343 -1.243 20 0 CAADLO NC(=O)C[N@H+]1CCC2(CN(C(=O)CCc3nnc[nH]3)C2)C1 ZINC001072595744 782778991 /nfs/dbraw/zinc/77/89/91/782778991.db2.gz JBPOITMQUXUBAK-UHFFFAOYSA-N 1 2 292.343 -1.243 20 0 CAADLO NC(=O)C[N@@H+]1CCC2(CN(C(=O)CCc3nc[nH]n3)C2)C1 ZINC001072595744 782778997 /nfs/dbraw/zinc/77/89/97/782778997.db2.gz JBPOITMQUXUBAK-UHFFFAOYSA-N 1 2 292.343 -1.243 20 0 CAADLO NC(=O)C[N@H+]1CCC2(CN(C(=O)CCc3nc[nH]n3)C2)C1 ZINC001072595744 782779005 /nfs/dbraw/zinc/77/90/05/782779005.db2.gz JBPOITMQUXUBAK-UHFFFAOYSA-N 1 2 292.343 -1.243 20 0 CAADLO C[C@@H]1CN(C(=O)C(N)=O)C[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC001072641172 782779670 /nfs/dbraw/zinc/77/96/70/782779670.db2.gz LGZZTVCECULRAK-NXEZZACHSA-N 1 2 293.327 -1.278 20 0 CAADLO C[C@H]1CN(C(=O)C(N)=O)C[C@@H]1NC(=O)CCn1cc[nH+]c1 ZINC001072641173 782779925 /nfs/dbraw/zinc/77/99/25/782779925.db2.gz LGZZTVCECULRAK-UWVGGRQHSA-N 1 2 293.327 -1.278 20 0 CAADLO C[C@@H]1CN(C(=O)C(N)=O)C[C@@H]1NC(=O)CCn1cc[nH+]c1 ZINC001072641175 782780368 /nfs/dbraw/zinc/78/03/68/782780368.db2.gz LGZZTVCECULRAK-ZJUUUORDSA-N 1 2 293.327 -1.278 20 0 CAADLO C[C@H]1CN(C(=O)C(N)=O)C[C@H]1NC(=O)CCc1[nH]cc[nH+]1 ZINC001072645843 782781600 /nfs/dbraw/zinc/78/16/00/782781600.db2.gz DHNRZMHKBSZRLJ-DTWKUNHWSA-N 1 2 293.327 -1.209 20 0 CAADLO C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1NC(=O)CC(N)=O ZINC001072798529 782785237 /nfs/dbraw/zinc/78/52/37/782785237.db2.gz NQIWRDNGRYQBQH-PSASIEDQSA-N 1 2 293.327 -1.209 20 0 CAADLO C[C@@H](c1nnnn1C)[N@@H+]1CCC2(CN(C(=O)C(N)=O)C2)C1 ZINC001072935983 782785479 /nfs/dbraw/zinc/78/54/79/782785479.db2.gz KYNRESJALUHPSL-QMMMGPOBSA-N 1 2 293.331 -1.709 20 0 CAADLO C[C@@H](c1nnnn1C)[N@H+]1CCC2(CN(C(=O)C(N)=O)C2)C1 ZINC001072935983 782785486 /nfs/dbraw/zinc/78/54/86/782785486.db2.gz KYNRESJALUHPSL-QMMMGPOBSA-N 1 2 293.331 -1.709 20 0 CAADLO Cn1ncc(C[N@@H+]2CCC3(CN(C(=O)C(N)=O)C3)C2)n1 ZINC001072934503 782786272 /nfs/dbraw/zinc/78/62/72/782786272.db2.gz HTFIAIOEIOEWHJ-UHFFFAOYSA-N 1 2 278.316 -1.665 20 0 CAADLO Cn1ncc(C[N@H+]2CCC3(CN(C(=O)C(N)=O)C3)C2)n1 ZINC001072934503 782786273 /nfs/dbraw/zinc/78/62/73/782786273.db2.gz HTFIAIOEIOEWHJ-UHFFFAOYSA-N 1 2 278.316 -1.665 20 0 CAADLO CS(=O)(=O)CC[N@@H+]1CCC2(CN(C(=O)C(N)=O)C2)C1 ZINC001072934377 782786339 /nfs/dbraw/zinc/78/63/39/782786339.db2.gz AAOQEHVLIRCXAA-UHFFFAOYSA-N 1 2 289.357 -1.949 20 0 CAADLO CS(=O)(=O)CC[N@H+]1CCC2(CN(C(=O)C(N)=O)C2)C1 ZINC001072934377 782786343 /nfs/dbraw/zinc/78/63/43/782786343.db2.gz AAOQEHVLIRCXAA-UHFFFAOYSA-N 1 2 289.357 -1.949 20 0 CAADLO NC(=O)C(=O)N1CC2(C1)CC[N@H+](Cc1cnon1)C2 ZINC001072936240 782786435 /nfs/dbraw/zinc/78/64/35/782786435.db2.gz WMIHFJOYUHOKCU-UHFFFAOYSA-N 1 2 265.273 -1.411 20 0 CAADLO NC(=O)C(=O)N1CC2(C1)CC[N@@H+](Cc1cnon1)C2 ZINC001072936240 782786437 /nfs/dbraw/zinc/78/64/37/782786437.db2.gz WMIHFJOYUHOKCU-UHFFFAOYSA-N 1 2 265.273 -1.411 20 0 CAADLO Cc1nonc1C[N@@H+]1CCC2(CN(C(=O)C(N)=O)C2)C1 ZINC001072934737 782786542 /nfs/dbraw/zinc/78/65/42/782786542.db2.gz SBABDDSCJRLCOO-UHFFFAOYSA-N 1 2 279.300 -1.102 20 0 CAADLO Cc1nonc1C[N@H+]1CCC2(CN(C(=O)C(N)=O)C2)C1 ZINC001072934737 782786548 /nfs/dbraw/zinc/78/65/48/782786548.db2.gz SBABDDSCJRLCOO-UHFFFAOYSA-N 1 2 279.300 -1.102 20 0 CAADLO CCn1cc(C[N@@H+]2CCC3(CN(C(=O)C(N)=O)C3)C2)nn1 ZINC001072937929 782788649 /nfs/dbraw/zinc/78/86/49/782788649.db2.gz JNBBZFUPENLBNV-UHFFFAOYSA-N 1 2 292.343 -1.182 20 0 CAADLO CCn1cc(C[N@H+]2CCC3(CN(C(=O)C(N)=O)C3)C2)nn1 ZINC001072937929 782788652 /nfs/dbraw/zinc/78/86/52/782788652.db2.gz JNBBZFUPENLBNV-UHFFFAOYSA-N 1 2 292.343 -1.182 20 0 CAADLO CC1(NC(=O)Cc2c[nH]c[nH+]2)CCN(C(=O)C(N)=O)CC1 ZINC001073227604 782789967 /nfs/dbraw/zinc/78/99/67/782789967.db2.gz RLJFEAGQABJNNR-UHFFFAOYSA-N 1 2 293.327 -1.065 20 0 CAADLO CC1(NC(=O)Cc2[nH]cc[nH+]2)CCN(C(=O)C(N)=O)CC1 ZINC001073226735 782791065 /nfs/dbraw/zinc/79/10/65/782791065.db2.gz JUDMTCCILUWOJR-UHFFFAOYSA-N 1 2 293.327 -1.065 20 0 CAADLO CC1(NC(=O)C(N)=O)CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001073277187 782791254 /nfs/dbraw/zinc/79/12/54/782791254.db2.gz OCSBMDZQHWSTHV-UHFFFAOYSA-N 1 2 293.327 -1.065 20 0 CAADLO NC(=O)C[N@@H+]1CCCO[C@H](CNC(=O)c2ccnnc2)C1 ZINC001073791291 782798720 /nfs/dbraw/zinc/79/87/20/782798720.db2.gz FDQXJOHYQSECLN-LLVKDONJSA-N 1 2 293.327 -1.217 20 0 CAADLO NC(=O)C[N@@H+]1CCCO[C@H](CNC(=O)c2ccon2)C1 ZINC001073541726 782792773 /nfs/dbraw/zinc/79/27/73/782792773.db2.gz WSSRATDQYNTIQY-SECBINFHSA-N 1 2 282.300 -1.019 20 0 CAADLO NC(=O)C[N@H+]1CCCO[C@H](CNC(=O)c2ccon2)C1 ZINC001073541726 782792776 /nfs/dbraw/zinc/79/27/76/782792776.db2.gz WSSRATDQYNTIQY-SECBINFHSA-N 1 2 282.300 -1.019 20 0 CAADLO NC(=O)C[N@@H+]1CCCO[C@H](CNC(=O)c2cnns2)C1 ZINC001073547210 782792806 /nfs/dbraw/zinc/79/28/06/782792806.db2.gz CULXMYLUBLOEOB-MRVPVSSYSA-N 1 2 299.356 -1.156 20 0 CAADLO NC(=O)C[N@H+]1CCCO[C@H](CNC(=O)c2cnns2)C1 ZINC001073547210 782792811 /nfs/dbraw/zinc/79/28/11/782792811.db2.gz CULXMYLUBLOEOB-MRVPVSSYSA-N 1 2 299.356 -1.156 20 0 CAADLO NC(=O)C[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCOC2)C1 ZINC001073550264 782792906 /nfs/dbraw/zinc/79/29/06/782792906.db2.gz HPLSIRFJOXLAII-GHMZBOCLSA-N 1 2 285.344 -1.285 20 0 CAADLO NC(=O)C[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCOC2)C1 ZINC001073550264 782792911 /nfs/dbraw/zinc/79/29/11/782792911.db2.gz HPLSIRFJOXLAII-GHMZBOCLSA-N 1 2 285.344 -1.285 20 0 CAADLO NC(=O)C[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2CCCO2)C1 ZINC001073522702 782793034 /nfs/dbraw/zinc/79/30/34/782793034.db2.gz JYZCIVWOHVFDPE-GHMZBOCLSA-N 1 2 285.344 -1.142 20 0 CAADLO NC(=O)C[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CCCO2)C1 ZINC001073522702 782793042 /nfs/dbraw/zinc/79/30/42/782793042.db2.gz JYZCIVWOHVFDPE-GHMZBOCLSA-N 1 2 285.344 -1.142 20 0 CAADLO NC(=O)C[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCCO2)C1 ZINC001073522705 782793053 /nfs/dbraw/zinc/79/30/53/782793053.db2.gz JYZCIVWOHVFDPE-WDEREUQCSA-N 1 2 285.344 -1.142 20 0 CAADLO NC(=O)C[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCCO2)C1 ZINC001073522705 782793059 /nfs/dbraw/zinc/79/30/59/782793059.db2.gz JYZCIVWOHVFDPE-WDEREUQCSA-N 1 2 285.344 -1.142 20 0 CAADLO NC(=O)C[N@@H+]1CCCO[C@@H](CNC(=O)c2cn[nH]c2)C1 ZINC001073545908 782793125 /nfs/dbraw/zinc/79/31/25/782793125.db2.gz UOMFXVJOHNRMKT-JTQLQIEISA-N 1 2 281.316 -1.284 20 0 CAADLO NC(=O)C[N@H+]1CCCO[C@@H](CNC(=O)c2cn[nH]c2)C1 ZINC001073545908 782793129 /nfs/dbraw/zinc/79/31/29/782793129.db2.gz UOMFXVJOHNRMKT-JTQLQIEISA-N 1 2 281.316 -1.284 20 0 CAADLO NC(=O)C[N@H+]1CCCO[C@H](CNC(=O)c2ccnnc2)C1 ZINC001073791291 782798725 /nfs/dbraw/zinc/79/87/25/782798725.db2.gz FDQXJOHYQSECLN-LLVKDONJSA-N 1 2 293.327 -1.217 20 0 CAADLO NC(=O)C[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCCO2)C1 ZINC001073522703 782793286 /nfs/dbraw/zinc/79/32/86/782793286.db2.gz JYZCIVWOHVFDPE-MNOVXSKESA-N 1 2 285.344 -1.142 20 0 CAADLO NC(=O)C[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCCO2)C1 ZINC001073522703 782793294 /nfs/dbraw/zinc/79/32/94/782793294.db2.gz JYZCIVWOHVFDPE-MNOVXSKESA-N 1 2 285.344 -1.142 20 0 CAADLO NC(=O)C[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2CCC(=O)N2)C1 ZINC001073555183 782793896 /nfs/dbraw/zinc/79/38/96/782793896.db2.gz XNVHQLYWXSPSOV-NXEZZACHSA-N 1 2 298.343 -2.043 20 0 CAADLO NC(=O)C[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CCC(=O)N2)C1 ZINC001073555183 782793900 /nfs/dbraw/zinc/79/39/00/782793900.db2.gz XNVHQLYWXSPSOV-NXEZZACHSA-N 1 2 298.343 -2.043 20 0 CAADLO Cn1cnc(C(=O)NC[C@@H]2C[N@H+](CC(N)=O)CCCO2)c1 ZINC001073577230 782794277 /nfs/dbraw/zinc/79/42/77/782794277.db2.gz SOFCXMXSLUZLQZ-SNVBAGLBSA-N 1 2 295.343 -1.274 20 0 CAADLO Cn1cnc(C(=O)NC[C@@H]2C[N@@H+](CC(N)=O)CCCO2)c1 ZINC001073577230 782794281 /nfs/dbraw/zinc/79/42/81/782794281.db2.gz SOFCXMXSLUZLQZ-SNVBAGLBSA-N 1 2 295.343 -1.274 20 0 CAADLO NC(=O)C[N@@H+]1CCCO[C@@H](CNC(=O)c2cocn2)C1 ZINC001073556773 782794452 /nfs/dbraw/zinc/79/44/52/782794452.db2.gz OERCYNIAORRJFT-VIFPVBQESA-N 1 2 282.300 -1.019 20 0 CAADLO NC(=O)C[N@H+]1CCCO[C@@H](CNC(=O)c2cocn2)C1 ZINC001073556773 782794458 /nfs/dbraw/zinc/79/44/58/782794458.db2.gz OERCYNIAORRJFT-VIFPVBQESA-N 1 2 282.300 -1.019 20 0 CAADLO CNC(=O)C[N@@H+]1CCCO[C@H](CNC(=O)c2ncc[nH]2)C1 ZINC001073601273 782794608 /nfs/dbraw/zinc/79/46/08/782794608.db2.gz LASWGQYCWJOEKE-SNVBAGLBSA-N 1 2 295.343 -1.024 20 0 CAADLO CNC(=O)C[N@H+]1CCCO[C@H](CNC(=O)c2ncc[nH]2)C1 ZINC001073601273 782794615 /nfs/dbraw/zinc/79/46/15/782794615.db2.gz LASWGQYCWJOEKE-SNVBAGLBSA-N 1 2 295.343 -1.024 20 0 CAADLO NC(=O)C[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCC(=O)N2)C1 ZINC001073555184 782795046 /nfs/dbraw/zinc/79/50/46/782795046.db2.gz XNVHQLYWXSPSOV-VHSXEESVSA-N 1 2 298.343 -2.043 20 0 CAADLO NC(=O)C[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCC(=O)N2)C1 ZINC001073555184 782795050 /nfs/dbraw/zinc/79/50/50/782795050.db2.gz XNVHQLYWXSPSOV-VHSXEESVSA-N 1 2 298.343 -2.043 20 0 CAADLO Cc1nn[nH]c1C(=O)NC[C@H]1C[N@H+](CC(N)=O)CCCO1 ZINC001073723111 782796780 /nfs/dbraw/zinc/79/67/80/782796780.db2.gz ZYXREXTZVYRXBG-VIFPVBQESA-N 1 2 296.331 -1.581 20 0 CAADLO Cc1nn[nH]c1C(=O)NC[C@H]1C[N@@H+](CC(N)=O)CCCO1 ZINC001073723111 782796789 /nfs/dbraw/zinc/79/67/89/782796789.db2.gz ZYXREXTZVYRXBG-VIFPVBQESA-N 1 2 296.331 -1.581 20 0 CAADLO Cn1ncc(C(=O)NC[C@H]2C[N@H+](CC(N)=O)CCCO2)n1 ZINC001073818299 782799018 /nfs/dbraw/zinc/79/90/18/782799018.db2.gz DEZDSBFFZFWXCL-VIFPVBQESA-N 1 2 296.331 -1.879 20 0 CAADLO Cn1ncc(C(=O)NC[C@H]2C[N@@H+](CC(N)=O)CCCO2)n1 ZINC001073818299 782799022 /nfs/dbraw/zinc/79/90/22/782799022.db2.gz DEZDSBFFZFWXCL-VIFPVBQESA-N 1 2 296.331 -1.879 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CCCO[C@@H](CNC(=O)c2cnon2)C1 ZINC001073827975 782799697 /nfs/dbraw/zinc/79/96/97/782799697.db2.gz BSBDVTNYOYYJRX-IUCAKERBSA-N 1 2 297.315 -1.236 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CCCO[C@@H](CNC(=O)c2cnon2)C1 ZINC001073827975 782799705 /nfs/dbraw/zinc/79/97/05/782799705.db2.gz BSBDVTNYOYYJRX-IUCAKERBSA-N 1 2 297.315 -1.236 20 0 CAADLO NC(=O)C[N@@H+]1CCCO[C@H](CNC(=O)c2cnon2)C1 ZINC001073828461 782800059 /nfs/dbraw/zinc/80/00/59/782800059.db2.gz VMACWAZYQGLEBK-MRVPVSSYSA-N 1 2 283.288 -1.624 20 0 CAADLO NC(=O)C[N@H+]1CCCO[C@H](CNC(=O)c2cnon2)C1 ZINC001073828461 782800066 /nfs/dbraw/zinc/80/00/66/782800066.db2.gz VMACWAZYQGLEBK-MRVPVSSYSA-N 1 2 283.288 -1.624 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CCCO[C@H](CNC(=O)c2cnon2)C1 ZINC001073827976 782800331 /nfs/dbraw/zinc/80/03/31/782800331.db2.gz BSBDVTNYOYYJRX-RKDXNWHRSA-N 1 2 297.315 -1.236 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CCCO[C@H](CNC(=O)c2cnon2)C1 ZINC001073827976 782800334 /nfs/dbraw/zinc/80/03/34/782800334.db2.gz BSBDVTNYOYYJRX-RKDXNWHRSA-N 1 2 297.315 -1.236 20 0 CAADLO NC(=O)C[N@@H+]1CCCO[C@H](CNC(=O)c2ncccn2)C1 ZINC001073830724 782800464 /nfs/dbraw/zinc/80/04/64/782800464.db2.gz NOXWGDOLULCJBU-SNVBAGLBSA-N 1 2 293.327 -1.217 20 0 CAADLO NC(=O)C[N@H+]1CCCO[C@H](CNC(=O)c2ncccn2)C1 ZINC001073830724 782800468 /nfs/dbraw/zinc/80/04/68/782800468.db2.gz NOXWGDOLULCJBU-SNVBAGLBSA-N 1 2 293.327 -1.217 20 0 CAADLO NC(=O)C[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001073863651 782800726 /nfs/dbraw/zinc/80/07/26/782800726.db2.gz XNVHQLYWXSPSOV-ZJUUUORDSA-N 1 2 298.343 -2.043 20 0 CAADLO NC(=O)C[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001073863651 782800739 /nfs/dbraw/zinc/80/07/39/782800739.db2.gz XNVHQLYWXSPSOV-ZJUUUORDSA-N 1 2 298.343 -2.043 20 0 CAADLO Cn1ccc(C(=O)NC[C@@H]2C[N@H+](CC(N)=O)CCCO2)n1 ZINC001073890535 782800806 /nfs/dbraw/zinc/80/08/06/782800806.db2.gz FWYOIYZJHBQKCO-SNVBAGLBSA-N 1 2 295.343 -1.274 20 0 CAADLO Cn1ccc(C(=O)NC[C@@H]2C[N@@H+](CC(N)=O)CCCO2)n1 ZINC001073890535 782800811 /nfs/dbraw/zinc/80/08/11/782800811.db2.gz FWYOIYZJHBQKCO-SNVBAGLBSA-N 1 2 295.343 -1.274 20 0 CAADLO O=C(Cn1cnnn1)N1CC[C@H]2OCC[N@@H+](CCO)[C@@H]2C1 ZINC001074159789 782801577 /nfs/dbraw/zinc/80/15/77/782801577.db2.gz KJVAGDRZZVTPOU-GHMZBOCLSA-N 1 2 296.331 -2.033 20 0 CAADLO O=C(Cn1cnnn1)N1CC[C@H]2OCC[N@H+](CCO)[C@@H]2C1 ZINC001074159789 782801583 /nfs/dbraw/zinc/80/15/83/782801583.db2.gz KJVAGDRZZVTPOU-GHMZBOCLSA-N 1 2 296.331 -2.033 20 0 CAADLO CC[N@@H+]1CCO[C@@H]2CCN(C(=O)Cn3cnnn3)C[C@@H]21 ZINC001074159180 782802033 /nfs/dbraw/zinc/80/20/33/782802033.db2.gz AGESCQVLIXSDJY-WDEREUQCSA-N 1 2 280.332 -1.005 20 0 CAADLO CC[N@H+]1CCO[C@@H]2CCN(C(=O)Cn3cnnn3)C[C@@H]21 ZINC001074159180 782802036 /nfs/dbraw/zinc/80/20/36/782802036.db2.gz AGESCQVLIXSDJY-WDEREUQCSA-N 1 2 280.332 -1.005 20 0 CAADLO NC(=O)CC(=O)N1CC[C@@H]2OCC[N@H+](CCO)[C@@H]2C1 ZINC001074197274 782803091 /nfs/dbraw/zinc/80/30/91/782803091.db2.gz UTVZCEOXDKWVKY-ZJUUUORDSA-N 1 2 271.317 -1.844 20 0 CAADLO NC(=O)CC(=O)N1CC[C@@H]2OCC[N@@H+](CCO)[C@@H]2C1 ZINC001074197274 782803096 /nfs/dbraw/zinc/80/30/96/782803096.db2.gz UTVZCEOXDKWVKY-ZJUUUORDSA-N 1 2 271.317 -1.844 20 0 CAADLO O=C(Cn1ncnn1)N1CC[C@@H]2OCC[N@@H+](CCO)[C@@H]2C1 ZINC001074241536 782803408 /nfs/dbraw/zinc/80/34/08/782803408.db2.gz KAYRSRXNPIALIO-MNOVXSKESA-N 1 2 296.331 -2.033 20 0 CAADLO O=C(Cn1ncnn1)N1CC[C@@H]2OCC[N@H+](CCO)[C@@H]2C1 ZINC001074241536 782803409 /nfs/dbraw/zinc/80/34/09/782803409.db2.gz KAYRSRXNPIALIO-MNOVXSKESA-N 1 2 296.331 -2.033 20 0 CAADLO CC[N@@H+]1CCO[C@H]2CCN(C(=O)Cn3ncnn3)C[C@H]21 ZINC001074242168 782803526 /nfs/dbraw/zinc/80/35/26/782803526.db2.gz TVJRHAIATPTKBE-MNOVXSKESA-N 1 2 280.332 -1.005 20 0 CAADLO CC[N@H+]1CCO[C@H]2CCN(C(=O)Cn3ncnn3)C[C@H]21 ZINC001074242168 782803530 /nfs/dbraw/zinc/80/35/30/782803530.db2.gz TVJRHAIATPTKBE-MNOVXSKESA-N 1 2 280.332 -1.005 20 0 CAADLO O=C(Cn1ncnn1)N1CC[C@@H]2OCC[N@@H+](CCO)[C@H]2C1 ZINC001074241537 782803685 /nfs/dbraw/zinc/80/36/85/782803685.db2.gz KAYRSRXNPIALIO-QWRGUYRKSA-N 1 2 296.331 -2.033 20 0 CAADLO O=C(Cn1ncnn1)N1CC[C@@H]2OCC[N@H+](CCO)[C@H]2C1 ZINC001074241537 782803690 /nfs/dbraw/zinc/80/36/90/782803690.db2.gz KAYRSRXNPIALIO-QWRGUYRKSA-N 1 2 296.331 -2.033 20 0 CAADLO O=C(Cn1nccn1)N1CC[C@H]2OCC[N@@H+](CCO)[C@H]2C1 ZINC001074256828 782804119 /nfs/dbraw/zinc/80/41/19/782804119.db2.gz WJKKWLMHIISTSN-NWDGAFQWSA-N 1 2 295.343 -1.428 20 0 CAADLO O=C(Cn1nccn1)N1CC[C@H]2OCC[N@H+](CCO)[C@H]2C1 ZINC001074256828 782804126 /nfs/dbraw/zinc/80/41/26/782804126.db2.gz WJKKWLMHIISTSN-NWDGAFQWSA-N 1 2 295.343 -1.428 20 0 CAADLO O=C(Cn1nccn1)N1CC[C@H]2OCC[N@@H+](CCO)[C@@H]2C1 ZINC001074256830 782804575 /nfs/dbraw/zinc/80/45/75/782804575.db2.gz WJKKWLMHIISTSN-VXGBXAGGSA-N 1 2 295.343 -1.428 20 0 CAADLO O=C(Cn1nccn1)N1CC[C@H]2OCC[N@H+](CCO)[C@@H]2C1 ZINC001074256830 782804581 /nfs/dbraw/zinc/80/45/81/782804581.db2.gz WJKKWLMHIISTSN-VXGBXAGGSA-N 1 2 295.343 -1.428 20 0 CAADLO O=C(Cn1cncn1)N1CC[C@H]2OCC[N@@H+](CCO)[C@@H]2C1 ZINC001074399836 782805773 /nfs/dbraw/zinc/80/57/73/782805773.db2.gz KSMDHQJLRPMLPK-VXGBXAGGSA-N 1 2 295.343 -1.428 20 0 CAADLO O=C(Cn1cncn1)N1CC[C@H]2OCC[N@H+](CCO)[C@@H]2C1 ZINC001074399836 782805781 /nfs/dbraw/zinc/80/57/81/782805781.db2.gz KSMDHQJLRPMLPK-VXGBXAGGSA-N 1 2 295.343 -1.428 20 0 CAADLO O=C(Cc1nnc[nH]1)N1CC[C@@H]2OCC[N@@H+](CCO)[C@H]2C1 ZINC001074380849 782805988 /nfs/dbraw/zinc/80/59/88/782805988.db2.gz VNNGBBKZVNYMOX-QWRGUYRKSA-N 1 2 295.343 -1.359 20 0 CAADLO O=C(Cc1nnc[nH]1)N1CC[C@@H]2OCC[N@H+](CCO)[C@H]2C1 ZINC001074380849 782805990 /nfs/dbraw/zinc/80/59/90/782805990.db2.gz VNNGBBKZVNYMOX-QWRGUYRKSA-N 1 2 295.343 -1.359 20 0 CAADLO O=C(Cn1cncn1)N1CC[C@H]2OCC[N@@H+](CCO)[C@H]2C1 ZINC001074399834 782806019 /nfs/dbraw/zinc/80/60/19/782806019.db2.gz KSMDHQJLRPMLPK-NWDGAFQWSA-N 1 2 295.343 -1.428 20 0 CAADLO O=C(Cn1cncn1)N1CC[C@H]2OCC[N@H+](CCO)[C@H]2C1 ZINC001074399834 782806022 /nfs/dbraw/zinc/80/60/22/782806022.db2.gz KSMDHQJLRPMLPK-NWDGAFQWSA-N 1 2 295.343 -1.428 20 0 CAADLO CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C(F)F)[C@H](O)C1 ZINC001099606831 782820147 /nfs/dbraw/zinc/82/01/47/782820147.db2.gz DERRRMCNOMPWPC-HTQZYQBOSA-N 1 2 279.287 -1.061 20 0 CAADLO CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)C(F)F)[C@H](O)C1 ZINC001099606831 782820154 /nfs/dbraw/zinc/82/01/54/782820154.db2.gz DERRRMCNOMPWPC-HTQZYQBOSA-N 1 2 279.287 -1.061 20 0 CAADLO CNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1cncn1)C2 ZINC001098338471 782817622 /nfs/dbraw/zinc/81/76/22/782817622.db2.gz XWLPWBHXEXRRJE-MXWKQRLJSA-N 1 2 292.343 -1.254 20 0 CAADLO CNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1cncn1)C2 ZINC001098338471 782817626 /nfs/dbraw/zinc/81/76/26/782817626.db2.gz XWLPWBHXEXRRJE-MXWKQRLJSA-N 1 2 292.343 -1.254 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1nc[nH]n1)C2 ZINC001098184879 782818452 /nfs/dbraw/zinc/81/84/52/782818452.db2.gz JTULABYKBUXOLC-JLIMGVALSA-N 1 2 292.343 -1.058 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1nc[nH]n1)C2 ZINC001098184879 782818455 /nfs/dbraw/zinc/81/84/55/782818455.db2.gz JTULABYKBUXOLC-JLIMGVALSA-N 1 2 292.343 -1.058 20 0 CAADLO CC(=O)N[C@H]1CC[N@H+](CCCS(C)(=O)=O)C[C@@H]1O ZINC001099607012 782818840 /nfs/dbraw/zinc/81/88/40/782818840.db2.gz HBUKGAZGSSLCBB-QWRGUYRKSA-N 1 2 278.374 -1.008 20 0 CAADLO CC(=O)N[C@H]1CC[N@@H+](CCCS(C)(=O)=O)C[C@@H]1O ZINC001099607012 782818843 /nfs/dbraw/zinc/81/88/43/782818843.db2.gz HBUKGAZGSSLCBB-QWRGUYRKSA-N 1 2 278.374 -1.008 20 0 CAADLO NC(=O)NC(=O)C[N@@H+]1CC[C@H](NC(=O)C2CC2)[C@H](O)C1 ZINC001099607331 782818973 /nfs/dbraw/zinc/81/89/73/782818973.db2.gz LGZRZUBWIABWIX-DTWKUNHWSA-N 1 2 284.316 -1.857 20 0 CAADLO NC(=O)NC(=O)C[N@H+]1CC[C@H](NC(=O)C2CC2)[C@H](O)C1 ZINC001099607331 782818983 /nfs/dbraw/zinc/81/89/83/782818983.db2.gz LGZRZUBWIABWIX-DTWKUNHWSA-N 1 2 284.316 -1.857 20 0 CAADLO CC(=O)N[C@H]1CC[N@H+](CC(=O)NC(N)=O)C[C@H]1O ZINC001099607243 782819232 /nfs/dbraw/zinc/81/92/32/782819232.db2.gz KFZARBRDTRPTQP-JGVFFNPUSA-N 1 2 258.278 -2.247 20 0 CAADLO CC(=O)N[C@H]1CC[N@@H+](CC(=O)NC(N)=O)C[C@H]1O ZINC001099607243 782819239 /nfs/dbraw/zinc/81/92/39/782819239.db2.gz KFZARBRDTRPTQP-JGVFFNPUSA-N 1 2 258.278 -2.247 20 0 CAADLO CC(=O)N[C@H]1CC[N@H+](CCCS(C)(=O)=O)C[C@H]1O ZINC001099607013 782819585 /nfs/dbraw/zinc/81/95/85/782819585.db2.gz HBUKGAZGSSLCBB-WDEREUQCSA-N 1 2 278.374 -1.008 20 0 CAADLO CC(=O)N[C@H]1CC[N@@H+](CCCS(C)(=O)=O)C[C@H]1O ZINC001099607013 782819595 /nfs/dbraw/zinc/81/95/95/782819595.db2.gz HBUKGAZGSSLCBB-WDEREUQCSA-N 1 2 278.374 -1.008 20 0 CAADLO NC(=O)NC(=O)C[N@@H+]1CC[C@@H](NC(=O)C2CC2)[C@@H](O)C1 ZINC001099607330 782819702 /nfs/dbraw/zinc/81/97/02/782819702.db2.gz LGZRZUBWIABWIX-BDAKNGLRSA-N 1 2 284.316 -1.857 20 0 CAADLO NC(=O)NC(=O)C[N@H+]1CC[C@@H](NC(=O)C2CC2)[C@@H](O)C1 ZINC001099607330 782819705 /nfs/dbraw/zinc/81/97/05/782819705.db2.gz LGZRZUBWIABWIX-BDAKNGLRSA-N 1 2 284.316 -1.857 20 0 CAADLO Cn1nncc1C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C(N)=O)C1 ZINC001099004642 782819941 /nfs/dbraw/zinc/81/99/41/782819941.db2.gz HVFPNQFURCKZLG-ZANVPECISA-N 1 2 292.343 -1.229 20 0 CAADLO Cn1nncc1C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C(N)=O)C1 ZINC001099004642 782819947 /nfs/dbraw/zinc/81/99/47/782819947.db2.gz HVFPNQFURCKZLG-ZANVPECISA-N 1 2 292.343 -1.229 20 0 CAADLO CCS(=O)(=O)NCC[N@@H+]1CC[C@@H](NC(C)=O)[C@H](O)C1 ZINC001099607851 782821078 /nfs/dbraw/zinc/82/10/78/782821078.db2.gz RPZOGLYBBAVSDD-GHMZBOCLSA-N 1 2 293.389 -1.503 20 0 CAADLO CCS(=O)(=O)NCC[N@H+]1CC[C@@H](NC(C)=O)[C@H](O)C1 ZINC001099607851 782821081 /nfs/dbraw/zinc/82/10/81/782821081.db2.gz RPZOGLYBBAVSDD-GHMZBOCLSA-N 1 2 293.389 -1.503 20 0 CAADLO CNC(=O)NC(=O)C[N@@H+]1CC[C@H](NC(C)=O)[C@H](O)C1 ZINC001099611968 782821262 /nfs/dbraw/zinc/82/12/62/782821262.db2.gz ZKIXYUHNYJARDV-DTWKUNHWSA-N 1 2 272.305 -1.987 20 0 CAADLO CNC(=O)NC(=O)C[N@H+]1CC[C@H](NC(C)=O)[C@H](O)C1 ZINC001099611968 782821264 /nfs/dbraw/zinc/82/12/64/782821264.db2.gz ZKIXYUHNYJARDV-DTWKUNHWSA-N 1 2 272.305 -1.987 20 0 CAADLO CCn1nncc1C[N@@H+]1CC[C@H](NC(=O)COC)[C@@H](O)C1 ZINC001099616366 782821723 /nfs/dbraw/zinc/82/17/23/782821723.db2.gz CYMBBUGUQROOJB-RYUDHWBXSA-N 1 2 297.359 -1.004 20 0 CAADLO CCn1nncc1C[N@H+]1CC[C@H](NC(=O)COC)[C@@H](O)C1 ZINC001099616366 782821730 /nfs/dbraw/zinc/82/17/30/782821730.db2.gz CYMBBUGUQROOJB-RYUDHWBXSA-N 1 2 297.359 -1.004 20 0 CAADLO CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)COC)[C@@H](O)C1 ZINC001099617197 782821766 /nfs/dbraw/zinc/82/17/66/782821766.db2.gz HRFOOMFZXXLFJF-ZJUUUORDSA-N 1 2 273.333 -1.680 20 0 CAADLO CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)COC)[C@@H](O)C1 ZINC001099617197 782821770 /nfs/dbraw/zinc/82/17/70/782821770.db2.gz HRFOOMFZXXLFJF-ZJUUUORDSA-N 1 2 273.333 -1.680 20 0 CAADLO NC(=O)NC(=O)C[N@@H+]1CC[C@@H](NC(=O)C2CCC2)[C@H](O)C1 ZINC001099609739 782821890 /nfs/dbraw/zinc/82/18/90/782821890.db2.gz FEMDDTDWOQBIPV-NXEZZACHSA-N 1 2 298.343 -1.467 20 0 CAADLO NC(=O)NC(=O)C[N@H+]1CC[C@@H](NC(=O)C2CCC2)[C@H](O)C1 ZINC001099609739 782821893 /nfs/dbraw/zinc/82/18/93/782821893.db2.gz FEMDDTDWOQBIPV-NXEZZACHSA-N 1 2 298.343 -1.467 20 0 CAADLO CCOCCNC(=O)C[N@@H+]1CC[C@H](NC(C)=O)[C@@H](O)C1 ZINC001099610942 782822001 /nfs/dbraw/zinc/82/20/01/782822001.db2.gz LPBXYTNSLGHISS-RYUDHWBXSA-N 1 2 287.360 -1.290 20 0 CAADLO CCOCCNC(=O)C[N@H+]1CC[C@H](NC(C)=O)[C@@H](O)C1 ZINC001099610942 782822005 /nfs/dbraw/zinc/82/20/05/782822005.db2.gz LPBXYTNSLGHISS-RYUDHWBXSA-N 1 2 287.360 -1.290 20 0 CAADLO CCS(=O)(=O)NCC[N@@H+]1CC[C@H](NC(C)=O)[C@H](O)C1 ZINC001099607854 782822182 /nfs/dbraw/zinc/82/21/82/782822182.db2.gz RPZOGLYBBAVSDD-WDEREUQCSA-N 1 2 293.389 -1.503 20 0 CAADLO CCS(=O)(=O)NCC[N@H+]1CC[C@H](NC(C)=O)[C@H](O)C1 ZINC001099607854 782822188 /nfs/dbraw/zinc/82/21/88/782822188.db2.gz RPZOGLYBBAVSDD-WDEREUQCSA-N 1 2 293.389 -1.503 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)CNC(=O)C2CC2)[C@@H](O)C1 ZINC001099703781 782827330 /nfs/dbraw/zinc/82/73/30/782827330.db2.gz BITHXXANAHQACQ-ZJUUUORDSA-N 1 2 298.343 -2.451 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)CNC(=O)C2CC2)[C@@H](O)C1 ZINC001099703781 782827332 /nfs/dbraw/zinc/82/73/32/782827332.db2.gz BITHXXANAHQACQ-ZJUUUORDSA-N 1 2 298.343 -2.451 20 0 CAADLO CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CCOC)[C@H](O)C1 ZINC001099620608 782823408 /nfs/dbraw/zinc/82/34/08/782823408.db2.gz PUDLZZVKDAZNCW-GHMZBOCLSA-N 1 2 287.360 -1.290 20 0 CAADLO CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)CCOC)[C@H](O)C1 ZINC001099620608 782823415 /nfs/dbraw/zinc/82/34/15/782823415.db2.gz PUDLZZVKDAZNCW-GHMZBOCLSA-N 1 2 287.360 -1.290 20 0 CAADLO CCOCC(=O)N[C@@H]1CC[N@H+](CC(=O)NC)C[C@@H]1O ZINC001099632516 782823425 /nfs/dbraw/zinc/82/34/25/782823425.db2.gz FEHGNFVQOCKSIN-ZJUUUORDSA-N 1 2 273.333 -1.680 20 0 CAADLO CCOCC(=O)N[C@@H]1CC[N@@H+](CC(=O)NC)C[C@@H]1O ZINC001099632516 782823429 /nfs/dbraw/zinc/82/34/29/782823429.db2.gz FEHGNFVQOCKSIN-ZJUUUORDSA-N 1 2 273.333 -1.680 20 0 CAADLO CC(=O)NCC(=O)N[C@@H]1CC[N@H+](CC(N)=O)C[C@@H]1O ZINC001099629425 782823479 /nfs/dbraw/zinc/82/34/79/782823479.db2.gz BYZKLBFTLSSZED-BDAKNGLRSA-N 1 2 272.305 -2.841 20 0 CAADLO CC(=O)NCC(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C[C@@H]1O ZINC001099629425 782823488 /nfs/dbraw/zinc/82/34/88/782823488.db2.gz BYZKLBFTLSSZED-BDAKNGLRSA-N 1 2 272.305 -2.841 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CCOC)[C@@H](O)C1 ZINC001099619964 782823641 /nfs/dbraw/zinc/82/36/41/782823641.db2.gz HHAGFFIDLSPQIS-ZJUUUORDSA-N 1 2 273.333 -1.680 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)CCOC)[C@@H](O)C1 ZINC001099619964 782823646 /nfs/dbraw/zinc/82/36/46/782823646.db2.gz HHAGFFIDLSPQIS-ZJUUUORDSA-N 1 2 273.333 -1.680 20 0 CAADLO COCC(=O)N[C@H]1CC[N@H+](Cc2cnnn2C)C[C@H]1O ZINC001099618444 782823700 /nfs/dbraw/zinc/82/37/00/782823700.db2.gz UPHUBRKHPCLVMW-WDEREUQCSA-N 1 2 283.332 -1.487 20 0 CAADLO COCC(=O)N[C@H]1CC[N@@H+](Cc2cnnn2C)C[C@H]1O ZINC001099618444 782823711 /nfs/dbraw/zinc/82/37/11/782823711.db2.gz UPHUBRKHPCLVMW-WDEREUQCSA-N 1 2 283.332 -1.487 20 0 CAADLO CC(=O)NCC(=O)N[C@H]1CC[N@H+](CC(N)=O)C[C@H]1O ZINC001099629426 782823879 /nfs/dbraw/zinc/82/38/79/782823879.db2.gz BYZKLBFTLSSZED-DTWKUNHWSA-N 1 2 272.305 -2.841 20 0 CAADLO CC(=O)NCC(=O)N[C@H]1CC[N@@H+](CC(N)=O)C[C@H]1O ZINC001099629426 782823884 /nfs/dbraw/zinc/82/38/84/782823884.db2.gz BYZKLBFTLSSZED-DTWKUNHWSA-N 1 2 272.305 -2.841 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CCOC)[C@H](O)C1 ZINC001099619961 782823995 /nfs/dbraw/zinc/82/39/95/782823995.db2.gz HHAGFFIDLSPQIS-NXEZZACHSA-N 1 2 273.333 -1.680 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)CCOC)[C@H](O)C1 ZINC001099619961 782824002 /nfs/dbraw/zinc/82/40/02/782824002.db2.gz HHAGFFIDLSPQIS-NXEZZACHSA-N 1 2 273.333 -1.680 20 0 CAADLO CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CCOC)[C@@H](O)C1 ZINC001099620610 782824148 /nfs/dbraw/zinc/82/41/48/782824148.db2.gz PUDLZZVKDAZNCW-QWRGUYRKSA-N 1 2 287.360 -1.290 20 0 CAADLO CCNC(=O)C[N@H+]1CC[C@H](NC(=O)CCOC)[C@@H](O)C1 ZINC001099620610 782824153 /nfs/dbraw/zinc/82/41/53/782824153.db2.gz PUDLZZVKDAZNCW-QWRGUYRKSA-N 1 2 287.360 -1.290 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CNC(N)=O)[C@@H](O)C1 ZINC001099665265 782827387 /nfs/dbraw/zinc/82/73/87/782827387.db2.gz DHFQKQVFAPCVCJ-SFYZADRCSA-N 1 2 287.320 -3.048 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)CNC(N)=O)[C@@H](O)C1 ZINC001099665265 782827395 /nfs/dbraw/zinc/82/73/95/782827395.db2.gz DHFQKQVFAPCVCJ-SFYZADRCSA-N 1 2 287.320 -3.048 20 0 CAADLO CC(=O)N(C)CC(=O)N[C@@H]1CC[N@H+](CC(N)=O)C[C@H]1O ZINC001099690827 782827589 /nfs/dbraw/zinc/82/75/89/782827589.db2.gz VRXHHIZCRIWSRQ-NXEZZACHSA-N 1 2 286.332 -2.499 20 0 CAADLO CC(=O)N(C)CC(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C[C@H]1O ZINC001099690827 782827593 /nfs/dbraw/zinc/82/75/93/782827593.db2.gz VRXHHIZCRIWSRQ-NXEZZACHSA-N 1 2 286.332 -2.499 20 0 CAADLO CC(C)=CC(=O)N[C@H]1CC[N@H+](CC(=O)NC(N)=O)C[C@@H]1O ZINC001099659784 782825354 /nfs/dbraw/zinc/82/53/54/782825354.db2.gz JMXHLJCBDRZFSV-UWVGGRQHSA-N 1 2 298.343 -1.301 20 0 CAADLO CC(C)=CC(=O)N[C@H]1CC[N@@H+](CC(=O)NC(N)=O)C[C@@H]1O ZINC001099659784 782825360 /nfs/dbraw/zinc/82/53/60/782825360.db2.gz JMXHLJCBDRZFSV-UWVGGRQHSA-N 1 2 298.343 -1.301 20 0 CAADLO CSCCC(=O)N[C@@H]1CC[N@H+](CC(N)=O)C[C@@H]1O ZINC001099656573 782825472 /nfs/dbraw/zinc/82/54/72/782825472.db2.gz HFZNFKFVRAPASU-BDAKNGLRSA-N 1 2 275.374 -1.224 20 0 CAADLO CSCCC(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C[C@@H]1O ZINC001099656573 782825475 /nfs/dbraw/zinc/82/54/75/782825475.db2.gz HFZNFKFVRAPASU-BDAKNGLRSA-N 1 2 275.374 -1.224 20 0 CAADLO CSCC(=O)N[C@H]1CC[N@H+](CC(N)=O)C[C@H]1O ZINC001099654528 782826163 /nfs/dbraw/zinc/82/61/63/782826163.db2.gz OORUDJAQGMGXPB-JGVFFNPUSA-N 1 2 261.347 -1.614 20 0 CAADLO CSCC(=O)N[C@H]1CC[N@@H+](CC(N)=O)C[C@H]1O ZINC001099654528 782826169 /nfs/dbraw/zinc/82/61/69/782826169.db2.gz OORUDJAQGMGXPB-JGVFFNPUSA-N 1 2 261.347 -1.614 20 0 CAADLO CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cn[nH]c2)[C@@H](O)C1 ZINC001099678013 782827536 /nfs/dbraw/zinc/82/75/36/782827536.db2.gz DWRUPVBPQWPFBD-MNOVXSKESA-N 1 2 295.343 -1.289 20 0 CAADLO CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)COCC)[C@H](O)C1 ZINC001099647506 782826250 /nfs/dbraw/zinc/82/62/50/782826250.db2.gz FMXKKYMYCZFBAD-WDEREUQCSA-N 1 2 287.360 -1.290 20 0 CAADLO CCNC(=O)C[N@H+]1CC[C@H](NC(=O)COCC)[C@H](O)C1 ZINC001099647506 782826256 /nfs/dbraw/zinc/82/62/56/782826256.db2.gz FMXKKYMYCZFBAD-WDEREUQCSA-N 1 2 287.360 -1.290 20 0 CAADLO CSCCC(=O)N[C@@H]1CC[N@H+](CC(N)=O)C[C@H]1O ZINC001099656576 782826271 /nfs/dbraw/zinc/82/62/71/782826271.db2.gz HFZNFKFVRAPASU-RKDXNWHRSA-N 1 2 275.374 -1.224 20 0 CAADLO CSCCC(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C[C@H]1O ZINC001099656576 782826277 /nfs/dbraw/zinc/82/62/77/782826277.db2.gz HFZNFKFVRAPASU-RKDXNWHRSA-N 1 2 275.374 -1.224 20 0 CAADLO CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)COCC)[C@@H](O)C1 ZINC001099647505 782826309 /nfs/dbraw/zinc/82/63/09/782826309.db2.gz FMXKKYMYCZFBAD-QWRGUYRKSA-N 1 2 287.360 -1.290 20 0 CAADLO CCNC(=O)C[N@H+]1CC[C@H](NC(=O)COCC)[C@@H](O)C1 ZINC001099647505 782826314 /nfs/dbraw/zinc/82/63/14/782826314.db2.gz FMXKKYMYCZFBAD-QWRGUYRKSA-N 1 2 287.360 -1.290 20 0 CAADLO CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cn[nH]c2)[C@@H](O)C1 ZINC001099678013 782827529 /nfs/dbraw/zinc/82/75/29/782827529.db2.gz DWRUPVBPQWPFBD-MNOVXSKESA-N 1 2 295.343 -1.289 20 0 CAADLO CC(C)=CC(=O)N[C@@H]1CC[N@H+](CC(=O)NC(N)=O)C[C@@H]1O ZINC001099659786 782827072 /nfs/dbraw/zinc/82/70/72/782827072.db2.gz JMXHLJCBDRZFSV-ZJUUUORDSA-N 1 2 298.343 -1.301 20 0 CAADLO CC(C)=CC(=O)N[C@@H]1CC[N@@H+](CC(=O)NC(N)=O)C[C@@H]1O ZINC001099659786 782827076 /nfs/dbraw/zinc/82/70/76/782827076.db2.gz JMXHLJCBDRZFSV-ZJUUUORDSA-N 1 2 298.343 -1.301 20 0 CAADLO CC(C)=CC(=O)N[C@H]1CC[N@H+](CC(=O)NC(N)=O)C[C@H]1O ZINC001099659785 782827173 /nfs/dbraw/zinc/82/71/73/782827173.db2.gz JMXHLJCBDRZFSV-VHSXEESVSA-N 1 2 298.343 -1.301 20 0 CAADLO CC(C)=CC(=O)N[C@H]1CC[N@@H+](CC(=O)NC(N)=O)C[C@H]1O ZINC001099659785 782827178 /nfs/dbraw/zinc/82/71/78/782827178.db2.gz JMXHLJCBDRZFSV-VHSXEESVSA-N 1 2 298.343 -1.301 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)CCn2cccn2)[C@H](O)C1 ZINC001099684110 782827850 /nfs/dbraw/zinc/82/78/50/782827850.db2.gz NCAVNLTUDAOIPZ-GHMZBOCLSA-N 1 2 295.343 -1.690 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)CCn2cccn2)[C@H](O)C1 ZINC001099684110 782827855 /nfs/dbraw/zinc/82/78/55/782827855.db2.gz NCAVNLTUDAOIPZ-GHMZBOCLSA-N 1 2 295.343 -1.690 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)CCn2cccn2)[C@@H](O)C1 ZINC001099684111 782827868 /nfs/dbraw/zinc/82/78/68/782827868.db2.gz NCAVNLTUDAOIPZ-MNOVXSKESA-N 1 2 295.343 -1.690 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)CCn2cccn2)[C@@H](O)C1 ZINC001099684111 782827874 /nfs/dbraw/zinc/82/78/74/782827874.db2.gz NCAVNLTUDAOIPZ-MNOVXSKESA-N 1 2 295.343 -1.690 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)CNC(N)=O)[C@@H](O)C1 ZINC001099665266 782827893 /nfs/dbraw/zinc/82/78/93/782827893.db2.gz DHFQKQVFAPCVCJ-YUMQZZPRSA-N 1 2 287.320 -3.048 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)CNC(N)=O)[C@@H](O)C1 ZINC001099665266 782827899 /nfs/dbraw/zinc/82/78/99/782827899.db2.gz DHFQKQVFAPCVCJ-YUMQZZPRSA-N 1 2 287.320 -3.048 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)CNC(N)=O)[C@@H](O)C1 ZINC001099665366 782827910 /nfs/dbraw/zinc/82/79/10/782827910.db2.gz FYRLUHYZHJULKX-RQJHMYQMSA-N 1 2 273.293 -3.309 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)CNC(N)=O)[C@@H](O)C1 ZINC001099665366 782827916 /nfs/dbraw/zinc/82/79/16/782827916.db2.gz FYRLUHYZHJULKX-RQJHMYQMSA-N 1 2 273.293 -3.309 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)COCC2CC2)[C@@H](O)C1 ZINC001099702693 782828129 /nfs/dbraw/zinc/82/81/29/782828129.db2.gz YHQJFUZYPJTZIL-MNOVXSKESA-N 1 2 285.344 -1.550 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)COCC2CC2)[C@@H](O)C1 ZINC001099702693 782828134 /nfs/dbraw/zinc/82/81/34/782828134.db2.gz YHQJFUZYPJTZIL-MNOVXSKESA-N 1 2 285.344 -1.550 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)COC(C)C)[C@@H](O)C1 ZINC001099724452 782828978 /nfs/dbraw/zinc/82/89/78/782828978.db2.gz OFZLHIKIINBGKQ-MNOVXSKESA-N 1 2 287.360 -1.291 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)COC(C)C)[C@@H](O)C1 ZINC001099724452 782828983 /nfs/dbraw/zinc/82/89/83/782828983.db2.gz OFZLHIKIINBGKQ-MNOVXSKESA-N 1 2 287.360 -1.291 20 0 CAADLO CC(C)OCC(=O)N[C@H]1CC[N@H+](CC(N)=O)C[C@H]1O ZINC001099723151 782829164 /nfs/dbraw/zinc/82/91/64/782829164.db2.gz FMMMZDJBZNIHJS-VHSXEESVSA-N 1 2 273.333 -1.552 20 0 CAADLO CC(C)OCC(=O)N[C@H]1CC[N@@H+](CC(N)=O)C[C@H]1O ZINC001099723151 782829167 /nfs/dbraw/zinc/82/91/67/782829167.db2.gz FMMMZDJBZNIHJS-VHSXEESVSA-N 1 2 273.333 -1.552 20 0 CAADLO COCC[N@@H+]1CC[C@@H](NC(=O)CS(C)(=O)=O)[C@@H](O)C1 ZINC001099709760 782829321 /nfs/dbraw/zinc/82/93/21/782829321.db2.gz MZHOZJYDGOFJAS-ZJUUUORDSA-N 1 2 294.373 -1.771 20 0 CAADLO COCC[N@H+]1CC[C@@H](NC(=O)CS(C)(=O)=O)[C@@H](O)C1 ZINC001099709760 782829325 /nfs/dbraw/zinc/82/93/25/782829325.db2.gz MZHOZJYDGOFJAS-ZJUUUORDSA-N 1 2 294.373 -1.771 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CCCOC)[C@H](O)C1 ZINC001099705338 782829647 /nfs/dbraw/zinc/82/96/47/782829647.db2.gz YSXDYSOAVMSWLI-GHMZBOCLSA-N 1 2 287.360 -1.290 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)CCCOC)[C@H](O)C1 ZINC001099705338 782829655 /nfs/dbraw/zinc/82/96/55/782829655.db2.gz YSXDYSOAVMSWLI-GHMZBOCLSA-N 1 2 287.360 -1.290 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)COC(C)C)[C@H](O)C1 ZINC001099724455 782829795 /nfs/dbraw/zinc/82/97/95/782829795.db2.gz OFZLHIKIINBGKQ-WDEREUQCSA-N 1 2 287.360 -1.291 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)COC(C)C)[C@H](O)C1 ZINC001099724455 782829805 /nfs/dbraw/zinc/82/98/05/782829805.db2.gz OFZLHIKIINBGKQ-WDEREUQCSA-N 1 2 287.360 -1.291 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)CC(F)(F)F)[C@H](O)C1 ZINC001099711580 782829872 /nfs/dbraw/zinc/82/98/72/782829872.db2.gz BQINYAFLLTYNHM-NKWVEPMBSA-N 1 2 283.250 -1.025 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)CC(F)(F)F)[C@H](O)C1 ZINC001099711580 782829880 /nfs/dbraw/zinc/82/98/80/782829880.db2.gz BQINYAFLLTYNHM-NKWVEPMBSA-N 1 2 283.250 -1.025 20 0 CAADLO CCOCCC(=O)N[C@H]1CC[N@H+](CC(N)=O)C[C@H]1O ZINC001099729488 782830078 /nfs/dbraw/zinc/83/00/78/782830078.db2.gz INFHWQFTUMGNKV-VHSXEESVSA-N 1 2 273.333 -1.550 20 0 CAADLO CCOCCC(=O)N[C@H]1CC[N@@H+](CC(N)=O)C[C@H]1O ZINC001099729488 782830087 /nfs/dbraw/zinc/83/00/87/782830087.db2.gz INFHWQFTUMGNKV-VHSXEESVSA-N 1 2 273.333 -1.550 20 0 CAADLO COC(=O)NCC(=O)N[C@@H]1CC[N@H+](CC(N)=O)C[C@H]1O ZINC001099704650 782830144 /nfs/dbraw/zinc/83/01/44/782830144.db2.gz OWPBJWSSDJRTFZ-HTQZYQBOSA-N 1 2 288.304 -2.621 20 0 CAADLO COC(=O)NCC(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C[C@H]1O ZINC001099704650 782830147 /nfs/dbraw/zinc/83/01/47/782830147.db2.gz OWPBJWSSDJRTFZ-HTQZYQBOSA-N 1 2 288.304 -2.621 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)CCCOC)[C@@H](O)C1 ZINC001099705340 782830461 /nfs/dbraw/zinc/83/04/61/782830461.db2.gz YSXDYSOAVMSWLI-QWRGUYRKSA-N 1 2 287.360 -1.290 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)CCCOC)[C@@H](O)C1 ZINC001099705340 782830470 /nfs/dbraw/zinc/83/04/70/782830470.db2.gz YSXDYSOAVMSWLI-QWRGUYRKSA-N 1 2 287.360 -1.290 20 0 CAADLO COC(=O)NCC(=O)N[C@H]1CC[N@H+](CC(N)=O)C[C@@H]1O ZINC001099704653 782830617 /nfs/dbraw/zinc/83/06/17/782830617.db2.gz OWPBJWSSDJRTFZ-YUMQZZPRSA-N 1 2 288.304 -2.621 20 0 CAADLO COC(=O)NCC(=O)N[C@H]1CC[N@@H+](CC(N)=O)C[C@@H]1O ZINC001099704653 782830624 /nfs/dbraw/zinc/83/06/24/782830624.db2.gz OWPBJWSSDJRTFZ-YUMQZZPRSA-N 1 2 288.304 -2.621 20 0 CAADLO CCCCOCC(=O)N[C@@H]1CC[N@H+](CC(N)=O)C[C@@H]1O ZINC001099755757 782830911 /nfs/dbraw/zinc/83/09/11/782830911.db2.gz RMUHEUIKCQXLRZ-MNOVXSKESA-N 1 2 287.360 -1.160 20 0 CAADLO CCCCOCC(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C[C@@H]1O ZINC001099755757 782830914 /nfs/dbraw/zinc/83/09/14/782830914.db2.gz RMUHEUIKCQXLRZ-MNOVXSKESA-N 1 2 287.360 -1.160 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CC(N)=O)[C@@H](O)C1 ZINC001099743872 782830948 /nfs/dbraw/zinc/83/09/48/782830948.db2.gz QEFFZGWAYONNCU-SFYZADRCSA-N 1 2 272.305 -2.841 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)CC(N)=O)[C@@H](O)C1 ZINC001099743872 782830953 /nfs/dbraw/zinc/83/09/53/782830953.db2.gz QEFFZGWAYONNCU-SFYZADRCSA-N 1 2 272.305 -2.841 20 0 CAADLO NC(=O)CC(=O)N[C@H]1CC[N@H+](CC(=O)NC2CC2)C[C@H]1O ZINC001099758224 782834133 /nfs/dbraw/zinc/83/41/33/782834133.db2.gz POBKUFPJUNINTB-VHSXEESVSA-N 1 2 298.343 -2.308 20 0 CAADLO CCCCOCC(=O)N[C@@H]1CC[N@H+](CC(N)=O)C[C@H]1O ZINC001099755756 782832171 /nfs/dbraw/zinc/83/21/71/782832171.db2.gz RMUHEUIKCQXLRZ-GHMZBOCLSA-N 1 2 287.360 -1.160 20 0 CAADLO CCCCOCC(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C[C@H]1O ZINC001099755756 782832180 /nfs/dbraw/zinc/83/21/80/782832180.db2.gz RMUHEUIKCQXLRZ-GHMZBOCLSA-N 1 2 287.360 -1.160 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)CC(N)=O)[C@@H](O)C1 ZINC001099743873 782832262 /nfs/dbraw/zinc/83/22/62/782832262.db2.gz QEFFZGWAYONNCU-YUMQZZPRSA-N 1 2 272.305 -2.841 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)CC(N)=O)[C@@H](O)C1 ZINC001099743873 782832267 /nfs/dbraw/zinc/83/22/67/782832267.db2.gz QEFFZGWAYONNCU-YUMQZZPRSA-N 1 2 272.305 -2.841 20 0 CAADLO Cc1conc1C[N@@H+]1CC[C@H](NC(=O)CC(N)=O)[C@H](O)C1 ZINC001099760093 782833424 /nfs/dbraw/zinc/83/34/24/782833424.db2.gz DJESLJFOXOZQMC-GXSJLCMTSA-N 1 2 296.327 -1.090 20 0 CAADLO Cc1conc1C[N@H+]1CC[C@H](NC(=O)CC(N)=O)[C@H](O)C1 ZINC001099760093 782833426 /nfs/dbraw/zinc/83/34/26/782833426.db2.gz DJESLJFOXOZQMC-GXSJLCMTSA-N 1 2 296.327 -1.090 20 0 CAADLO NC(=O)CC(=O)N[C@@H]1CC[N@H+](CC(=O)NC2CC2)C[C@@H]1O ZINC001099758225 782833515 /nfs/dbraw/zinc/83/35/15/782833515.db2.gz POBKUFPJUNINTB-ZJUUUORDSA-N 1 2 298.343 -2.308 20 0 CAADLO NC(=O)CC(=O)N[C@@H]1CC[N@@H+](CC(=O)NC2CC2)C[C@@H]1O ZINC001099758225 782833523 /nfs/dbraw/zinc/83/35/23/782833523.db2.gz POBKUFPJUNINTB-ZJUUUORDSA-N 1 2 298.343 -2.308 20 0 CAADLO CC(=O)N(C)CC(=O)N[C@H]1CC[N@H+](CC(N)=O)C[C@@H]1O ZINC001099690828 782827709 /nfs/dbraw/zinc/82/77/09/782827709.db2.gz VRXHHIZCRIWSRQ-UWVGGRQHSA-N 1 2 286.332 -2.499 20 0 CAADLO CC(=O)N(C)CC(=O)N[C@H]1CC[N@@H+](CC(N)=O)C[C@@H]1O ZINC001099690828 782827716 /nfs/dbraw/zinc/82/77/16/782827716.db2.gz VRXHHIZCRIWSRQ-UWVGGRQHSA-N 1 2 286.332 -2.499 20 0 CAADLO NC(=O)CC(=O)N[C@H]1CC[N@@H+](CC(=O)NC2CC2)C[C@H]1O ZINC001099758224 782834141 /nfs/dbraw/zinc/83/41/41/782834141.db2.gz POBKUFPJUNINTB-VHSXEESVSA-N 1 2 298.343 -2.308 20 0 CAADLO Cn1nncc1C[N@@H+]1CC[C@H](NC(=O)CC(N)=O)[C@H](O)C1 ZINC001099757393 782834211 /nfs/dbraw/zinc/83/42/11/782834211.db2.gz DUBFXMVEDOINDN-VHSXEESVSA-N 1 2 296.331 -2.258 20 0 CAADLO Cn1nncc1C[N@H+]1CC[C@H](NC(=O)CC(N)=O)[C@H](O)C1 ZINC001099757393 782834215 /nfs/dbraw/zinc/83/42/15/782834215.db2.gz DUBFXMVEDOINDN-VHSXEESVSA-N 1 2 296.331 -2.258 20 0 CAADLO C/C=C(\C)C(=O)N[C@@H]1CC[N@H+](CC(N)=O)C[C@H]1O ZINC001099771069 782835620 /nfs/dbraw/zinc/83/56/20/782835620.db2.gz BGVAOYMPURXNEG-ZCFALZCBSA-N 1 2 255.318 -1.011 20 0 CAADLO C/C=C(\C)C(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C[C@H]1O ZINC001099771069 782835626 /nfs/dbraw/zinc/83/56/26/782835626.db2.gz BGVAOYMPURXNEG-ZCFALZCBSA-N 1 2 255.318 -1.011 20 0 CAADLO CC(C)(O)CC(=O)N[C@H]1CC[N@H+](CC(N)=O)C[C@H]1O ZINC001099810162 782837901 /nfs/dbraw/zinc/83/79/01/782837901.db2.gz OXKUXMIFECUGFY-DTWKUNHWSA-N 1 2 273.333 -1.816 20 0 CAADLO CC(C)(O)CC(=O)N[C@H]1CC[N@@H+](CC(N)=O)C[C@H]1O ZINC001099810162 782837907 /nfs/dbraw/zinc/83/79/07/782837907.db2.gz OXKUXMIFECUGFY-DTWKUNHWSA-N 1 2 273.333 -1.816 20 0 CAADLO CC(C)(O)CC(=O)N[C@H]1CC[N@H+](CC(N)=O)C[C@@H]1O ZINC001099810164 782838298 /nfs/dbraw/zinc/83/82/98/782838298.db2.gz OXKUXMIFECUGFY-IUCAKERBSA-N 1 2 273.333 -1.816 20 0 CAADLO CC(C)(O)CC(=O)N[C@H]1CC[N@@H+](CC(N)=O)C[C@@H]1O ZINC001099810164 782838305 /nfs/dbraw/zinc/83/83/05/782838305.db2.gz OXKUXMIFECUGFY-IUCAKERBSA-N 1 2 273.333 -1.816 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)CCc2ncc[nH]2)[C@H](O)C1 ZINC001099804314 782838441 /nfs/dbraw/zinc/83/84/41/782838441.db2.gz LMOOMQGKNUEIBU-VHSXEESVSA-N 1 2 295.343 -1.621 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)CCc2ncc[nH]2)[C@H](O)C1 ZINC001099804314 782838448 /nfs/dbraw/zinc/83/84/48/782838448.db2.gz LMOOMQGKNUEIBU-VHSXEESVSA-N 1 2 295.343 -1.621 20 0 CAADLO CNC(=O)CC(=O)N[C@@H]1CC[N@H+](CC(N)=O)C[C@@H]1O ZINC001099792768 782838463 /nfs/dbraw/zinc/83/84/63/782838463.db2.gz ZEBVQELIOKXNGM-SFYZADRCSA-N 1 2 272.305 -2.841 20 0 CAADLO CNC(=O)CC(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C[C@@H]1O ZINC001099792768 782838470 /nfs/dbraw/zinc/83/84/70/782838470.db2.gz ZEBVQELIOKXNGM-SFYZADRCSA-N 1 2 272.305 -2.841 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)CC2(O)CCC2)[C@H](O)C1 ZINC001099823896 782839040 /nfs/dbraw/zinc/83/90/40/782839040.db2.gz LMPBLENZHBQMID-NXEZZACHSA-N 1 2 285.344 -1.672 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)CC2(O)CCC2)[C@H](O)C1 ZINC001099823896 782839045 /nfs/dbraw/zinc/83/90/45/782839045.db2.gz LMPBLENZHBQMID-NXEZZACHSA-N 1 2 285.344 -1.672 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)CCc2ccon2)[C@H](O)C1 ZINC001099924743 782842666 /nfs/dbraw/zinc/84/26/66/782842666.db2.gz ZMLPYSOLYJRYRW-WDEREUQCSA-N 1 2 296.327 -1.356 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)CCc2ccon2)[C@H](O)C1 ZINC001099924743 782842672 /nfs/dbraw/zinc/84/26/72/782842672.db2.gz ZMLPYSOLYJRYRW-WDEREUQCSA-N 1 2 296.327 -1.356 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C2(COC)CC2)[C@@H](O)C1 ZINC001099916706 782842968 /nfs/dbraw/zinc/84/29/68/782842968.db2.gz RKIRAGGRJKPIPT-MNOVXSKESA-N 1 2 299.371 -1.290 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)C2(COC)CC2)[C@@H](O)C1 ZINC001099916706 782842974 /nfs/dbraw/zinc/84/29/74/782842974.db2.gz RKIRAGGRJKPIPT-MNOVXSKESA-N 1 2 299.371 -1.290 20 0 CAADLO CCOCC1(C(=O)N[C@@H]2CC[N@H+](CC(N)=O)C[C@H]2O)CC1 ZINC001099897182 782843756 /nfs/dbraw/zinc/84/37/56/782843756.db2.gz RNJWXXODVHSBMJ-GHMZBOCLSA-N 1 2 299.371 -1.160 20 0 CAADLO CCOCC1(C(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C[C@H]2O)CC1 ZINC001099897182 782843764 /nfs/dbraw/zinc/84/37/64/782843764.db2.gz RNJWXXODVHSBMJ-GHMZBOCLSA-N 1 2 299.371 -1.160 20 0 CAADLO COCC1(C(=O)N[C@H]2CC[N@H+](CC(N)=O)C[C@@H]2O)CCC1 ZINC001099927172 782843811 /nfs/dbraw/zinc/84/38/11/782843811.db2.gz XWMDAWYOQGPFEI-QWRGUYRKSA-N 1 2 299.371 -1.160 20 0 CAADLO COCC1(C(=O)N[C@H]2CC[N@@H+](CC(N)=O)C[C@@H]2O)CCC1 ZINC001099927172 782843813 /nfs/dbraw/zinc/84/38/13/782843813.db2.gz XWMDAWYOQGPFEI-QWRGUYRKSA-N 1 2 299.371 -1.160 20 0 CAADLO NC(=O)CN1CC[C@@H](NC(=O)CCn2cc[nH+]c2)[C@@H](O)C1 ZINC001099939766 782845878 /nfs/dbraw/zinc/84/58/78/782845878.db2.gz LKROSNCWKFNAIC-MNOVXSKESA-N 1 2 295.343 -1.690 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)C2(C(N)=O)CC2)[C@@H](O)C1 ZINC001099978884 782846548 /nfs/dbraw/zinc/84/65/48/782846548.db2.gz MYDCMDLEPRSZLT-IUCAKERBSA-N 1 2 298.343 -2.451 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)C2(C(N)=O)CC2)[C@@H](O)C1 ZINC001099978884 782846552 /nfs/dbraw/zinc/84/65/52/782846552.db2.gz MYDCMDLEPRSZLT-IUCAKERBSA-N 1 2 298.343 -2.451 20 0 CAADLO NC(=O)C(=O)N[C@@H]1CC[N@H+](CC(=O)NCC2CC2)C[C@H]1O ZINC001099979126 782846961 /nfs/dbraw/zinc/84/69/61/782846961.db2.gz PRQYEMXPAQUEKU-NXEZZACHSA-N 1 2 298.343 -2.451 20 0 CAADLO NC(=O)C(=O)N[C@@H]1CC[N@@H+](CC(=O)NCC2CC2)C[C@H]1O ZINC001099979126 782846964 /nfs/dbraw/zinc/84/69/64/782846964.db2.gz PRQYEMXPAQUEKU-NXEZZACHSA-N 1 2 298.343 -2.451 20 0 CAADLO CN(C)C(=O)CC(=O)N[C@H]1CC[N@H+](CC(N)=O)C[C@@H]1O ZINC001100026895 782847073 /nfs/dbraw/zinc/84/70/73/782847073.db2.gz JORIRPITDBCGGI-IUCAKERBSA-N 1 2 286.332 -2.499 20 0 CAADLO CN(C)C(=O)CC(=O)N[C@H]1CC[N@@H+](CC(N)=O)C[C@@H]1O ZINC001100026895 782847082 /nfs/dbraw/zinc/84/70/82/782847082.db2.gz JORIRPITDBCGGI-IUCAKERBSA-N 1 2 286.332 -2.499 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)C2(CF)CC2)[C@H](O)C1 ZINC001100006144 782847777 /nfs/dbraw/zinc/84/77/77/782847777.db2.gz NESBCFXYNSQJAQ-DTWKUNHWSA-N 1 2 273.308 -1.227 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)C2(CF)CC2)[C@H](O)C1 ZINC001100006144 782847782 /nfs/dbraw/zinc/84/77/82/782847782.db2.gz NESBCFXYNSQJAQ-DTWKUNHWSA-N 1 2 273.308 -1.227 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)C2(C(N)=O)CC2)[C@H](O)C1 ZINC001099978883 782847897 /nfs/dbraw/zinc/84/78/97/782847897.db2.gz MYDCMDLEPRSZLT-DTWKUNHWSA-N 1 2 298.343 -2.451 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)C2(C(N)=O)CC2)[C@H](O)C1 ZINC001099978883 782847901 /nfs/dbraw/zinc/84/79/01/782847901.db2.gz MYDCMDLEPRSZLT-DTWKUNHWSA-N 1 2 298.343 -2.451 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)CCn2cccc2)[C@H](O)C1 ZINC001100051336 782849551 /nfs/dbraw/zinc/84/95/51/782849551.db2.gz WCDGYUPNTWTKMB-VXGBXAGGSA-N 1 2 294.355 -1.085 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)CCn2cccc2)[C@H](O)C1 ZINC001100051336 782849560 /nfs/dbraw/zinc/84/95/60/782849560.db2.gz WCDGYUPNTWTKMB-VXGBXAGGSA-N 1 2 294.355 -1.085 20 0 CAADLO C[C@@H]1C[N@H+](Cc2nnn(C)n2)C[C@H]1CCNC(=O)C(N)=O ZINC001103391656 782874492 /nfs/dbraw/zinc/87/44/92/782874492.db2.gz PYCSKCPIDNEVCV-RKDXNWHRSA-N 1 2 295.347 -1.730 20 0 CAADLO C[C@@H]1C[N@@H+](Cc2nnn(C)n2)C[C@H]1CCNC(=O)C(N)=O ZINC001103391656 782874499 /nfs/dbraw/zinc/87/44/99/782874499.db2.gz PYCSKCPIDNEVCV-RKDXNWHRSA-N 1 2 295.347 -1.730 20 0 CAADLO Cc1nc(N(C)C)nc(NC[C@H](C)CNC(=O)C(N)=O)[nH+]1 ZINC001104185787 782874857 /nfs/dbraw/zinc/87/48/57/782874857.db2.gz JNDHUBMSXKXKGJ-SSDOTTSWSA-N 1 2 295.347 -1.104 20 0 CAADLO Cc1nc(N(C)C)nc(NC[C@@H](C)CNC(=O)C(N)=O)[nH+]1 ZINC001104185788 782876118 /nfs/dbraw/zinc/87/61/18/782876118.db2.gz JNDHUBMSXKXKGJ-ZETCQYMHSA-N 1 2 295.347 -1.104 20 0 CAADLO CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1nnc[nH]1 ZINC001115098799 782879310 /nfs/dbraw/zinc/87/93/10/782879310.db2.gz OJIVKCUYSSHGQH-WOFXILAISA-N 1 2 292.343 -1.470 20 0 CAADLO CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1nnc[nH]1 ZINC001115098799 782879319 /nfs/dbraw/zinc/87/93/19/782879319.db2.gz OJIVKCUYSSHGQH-WOFXILAISA-N 1 2 292.343 -1.470 20 0 CAADLO C[C@H]([C@H](C)NC(=O)CN1C(=O)CNC1=O)[NH+]1CCOCC1 ZINC001115997157 782884570 /nfs/dbraw/zinc/88/45/70/782884570.db2.gz NKDLZVASSWIUJD-VHSXEESVSA-N 1 2 298.343 -1.236 20 0 CAADLO O=C(NCCn1cc[nH+]c1)NCCN1C(=O)CNC1=O ZINC001116057848 782887092 /nfs/dbraw/zinc/88/70/92/782887092.db2.gz PNJXISHXTGELMT-UHFFFAOYSA-N 1 2 280.288 -1.266 20 0 CAADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)c1nc[nH]n1 ZINC001116331837 782893662 /nfs/dbraw/zinc/89/36/62/782893662.db2.gz YKAOZSBNGOIASS-VIFPVBQESA-N 1 2 269.305 -1.430 20 0 CAADLO O=C(CN1C(=O)CNC1=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC001116335268 782893709 /nfs/dbraw/zinc/89/37/09/782893709.db2.gz LTKHAQMVMKVYJN-VIFPVBQESA-N 1 2 281.316 -2.346 20 0 CAADLO O=C(CN1C(=O)CNC1=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC001116335267 782893989 /nfs/dbraw/zinc/89/39/89/782893989.db2.gz LTKHAQMVMKVYJN-SECBINFHSA-N 1 2 281.316 -2.346 20 0 CAADLO C[C@H]([C@H](C)NC(=O)C[C@@H]1NC(=O)NC1=O)[NH+]1CCOCC1 ZINC001116415332 782896141 /nfs/dbraw/zinc/89/61/41/782896141.db2.gz PZAUWIGHFRKWRV-AEJSXWLSSA-N 1 2 298.343 -1.190 20 0 CAADLO CCN1CC[NH+](CCC(=O)NN2CC(=O)N(C)C2=O)CC1 ZINC001116501908 782900204 /nfs/dbraw/zinc/90/02/04/782900204.db2.gz JQTKSZQBYXKCRR-UHFFFAOYSA-N 1 2 297.359 -1.061 20 0 CAADLO CNC(=O)[C@@H]1C[N@H+](CCCS(N)(=O)=O)CCO1 ZINC001116527688 782901590 /nfs/dbraw/zinc/90/15/90/782901590.db2.gz KDYSDOZFNVAUQA-QMMMGPOBSA-N 1 2 265.335 -1.888 20 0 CAADLO CNC(=O)[C@@H]1C[N@@H+](CCCS(N)(=O)=O)CCO1 ZINC001116527688 782901592 /nfs/dbraw/zinc/90/15/92/782901592.db2.gz KDYSDOZFNVAUQA-QMMMGPOBSA-N 1 2 265.335 -1.888 20 0 CAADLO CC(C)[C@H](CO)CNC(=O)CN1CC[NH2+]CC1=O ZINC000705915751 775131523 /nfs/dbraw/zinc/13/15/23/775131523.db2.gz QTIZLQZWXDPWEA-JTQLQIEISA-N 1 2 257.334 -1.201 20 0 CAADLO O=C(NCCCN1CC[NH+](CCO)CC1)c1cn[nH]n1 ZINC001266267273 775101564 /nfs/dbraw/zinc/10/15/64/775101564.db2.gz WFFNNZAOPHYIOM-UHFFFAOYSA-N 1 2 282.348 -1.466 20 0 CAADLO CNC(=O)C[N@H+](C)CCNC(=O)[C@H](C)n1cncn1 ZINC001266270622 775102863 /nfs/dbraw/zinc/10/28/63/775102863.db2.gz XWGBCMMJWWLISQ-VIFPVBQESA-N 1 2 268.321 -1.367 20 0 CAADLO CNC(=O)C[N@@H+](C)CCNC(=O)[C@H](C)n1cncn1 ZINC001266270622 775102867 /nfs/dbraw/zinc/10/28/67/775102867.db2.gz XWGBCMMJWWLISQ-VIFPVBQESA-N 1 2 268.321 -1.367 20 0 CAADLO CNC(=O)C[N@H+](C)CCNC(=O)c1cnnn1C ZINC001266272444 775103425 /nfs/dbraw/zinc/10/34/25/775103425.db2.gz WXDNEEIYUOEGBW-UHFFFAOYSA-N 1 2 254.294 -1.777 20 0 CAADLO CNC(=O)C[N@@H+](C)CCNC(=O)c1cnnn1C ZINC001266272444 775103427 /nfs/dbraw/zinc/10/34/27/775103427.db2.gz WXDNEEIYUOEGBW-UHFFFAOYSA-N 1 2 254.294 -1.777 20 0 CAADLO Cc1ccc(C(=O)NCC[N@@H+](C)CC(N)=O)nn1 ZINC001266273698 775103609 /nfs/dbraw/zinc/10/36/09/775103609.db2.gz YJUWGMMSCGUATA-UHFFFAOYSA-N 1 2 251.290 -1.068 20 0 CAADLO Cc1ccc(C(=O)NCC[N@H+](C)CC(N)=O)nn1 ZINC001266273698 775103613 /nfs/dbraw/zinc/10/36/13/775103613.db2.gz YJUWGMMSCGUATA-UHFFFAOYSA-N 1 2 251.290 -1.068 20 0 CAADLO CCNC(=O)C[N@H+](C)CCNC(=O)[C@@H]1CCCNC1=O ZINC001266285384 775104327 /nfs/dbraw/zinc/10/43/27/775104327.db2.gz WVJZYQVDZJRJKC-SNVBAGLBSA-N 1 2 284.360 -1.303 20 0 CAADLO CCNC(=O)C[N@@H+](C)CCNC(=O)[C@@H]1CCCNC1=O ZINC001266285384 775104332 /nfs/dbraw/zinc/10/43/32/775104332.db2.gz WVJZYQVDZJRJKC-SNVBAGLBSA-N 1 2 284.360 -1.303 20 0 CAADLO C[C@H](C(N)=O)[NH+]1CCN(CCNC(=O)CC(N)=O)CC1 ZINC001266281226 775105771 /nfs/dbraw/zinc/10/57/71/775105771.db2.gz IXYQJNFAYHBHHB-SECBINFHSA-N 1 2 285.348 -2.531 20 0 CAADLO C[C@H](C(N)=O)N1CC[NH+](CCNC(=O)CC(N)=O)CC1 ZINC001266281226 775105775 /nfs/dbraw/zinc/10/57/75/775105775.db2.gz IXYQJNFAYHBHHB-SECBINFHSA-N 1 2 285.348 -2.531 20 0 CAADLO Cn1[nH]c(C[NH2+]CCNC(=O)c2cccc(=O)[nH]2)nc1=O ZINC001125292474 775107172 /nfs/dbraw/zinc/10/71/72/775107172.db2.gz RFLPHZUAMPDHBQ-UHFFFAOYSA-N 1 2 292.299 -1.271 20 0 CAADLO Cc1nocc1C[NH+]1CCN(CCNC(=O)C(N)=O)CC1 ZINC001266292587 775108813 /nfs/dbraw/zinc/10/88/13/775108813.db2.gz NJVODCXNCDXNPM-UHFFFAOYSA-N 1 2 295.343 -1.298 20 0 CAADLO Cc1nc[nH]c(=O)c1C(=O)NCC[N@@H+](C)CC(N)=O ZINC001266312019 775111926 /nfs/dbraw/zinc/11/19/26/775111926.db2.gz PIJDRCMTWMXHBR-UHFFFAOYSA-N 1 2 267.289 -1.362 20 0 CAADLO Cc1nc[nH]c(=O)c1C(=O)NCC[N@H+](C)CC(N)=O ZINC001266312019 775111935 /nfs/dbraw/zinc/11/19/35/775111935.db2.gz PIJDRCMTWMXHBR-UHFFFAOYSA-N 1 2 267.289 -1.362 20 0 CAADLO CCNC(=O)C[N@H+](C)CCNC(=O)[C@H]1CCN(C)C1=O ZINC001266311721 775112208 /nfs/dbraw/zinc/11/22/08/775112208.db2.gz HEBKHNLMUCFGSB-SNVBAGLBSA-N 1 2 284.360 -1.351 20 0 CAADLO CCNC(=O)C[N@@H+](C)CCNC(=O)[C@H]1CCN(C)C1=O ZINC001266311721 775112213 /nfs/dbraw/zinc/11/22/13/775112213.db2.gz HEBKHNLMUCFGSB-SNVBAGLBSA-N 1 2 284.360 -1.351 20 0 CAADLO C[N@H+](CCNC(=O)C(N)=O)CC(=O)NC1CCOCC1 ZINC001266315757 775113973 /nfs/dbraw/zinc/11/39/73/775113973.db2.gz DORZFYOKVWSGBP-UHFFFAOYSA-N 1 2 286.332 -2.185 20 0 CAADLO C[N@@H+](CCNC(=O)C(N)=O)CC(=O)NC1CCOCC1 ZINC001266315757 775113975 /nfs/dbraw/zinc/11/39/75/775113975.db2.gz DORZFYOKVWSGBP-UHFFFAOYSA-N 1 2 286.332 -2.185 20 0 CAADLO C[C@H](C(=O)NCc1ccco1)[N@H+](C)CCNC(=O)C(N)=O ZINC001266316017 775114527 /nfs/dbraw/zinc/11/45/27/775114527.db2.gz OEAGJCDOFYVTEG-SECBINFHSA-N 1 2 296.327 -1.182 20 0 CAADLO C[C@H](C(=O)NCc1ccco1)[N@@H+](C)CCNC(=O)C(N)=O ZINC001266316017 775114533 /nfs/dbraw/zinc/11/45/33/775114533.db2.gz OEAGJCDOFYVTEG-SECBINFHSA-N 1 2 296.327 -1.182 20 0 CAADLO CNC(=O)C[N@H+](C)CCNC(=O)[C@H](COC)OC ZINC001266324206 775115721 /nfs/dbraw/zinc/11/57/21/775115721.db2.gz YBDFHTRMGOXXQJ-VIFPVBQESA-N 1 2 261.322 -1.558 20 0 CAADLO CNC(=O)C[N@@H+](C)CCNC(=O)[C@H](COC)OC ZINC001266324206 775115725 /nfs/dbraw/zinc/11/57/25/775115725.db2.gz YBDFHTRMGOXXQJ-VIFPVBQESA-N 1 2 261.322 -1.558 20 0 CAADLO Cn1ncc(CCC(=O)NCC[N@H+](C)CC(N)=O)n1 ZINC001266326594 775116043 /nfs/dbraw/zinc/11/60/43/775116043.db2.gz FHBKKLBJTFGJDR-UHFFFAOYSA-N 1 2 268.321 -1.719 20 0 CAADLO Cn1ncc(CCC(=O)NCC[N@@H+](C)CC(N)=O)n1 ZINC001266326594 775116048 /nfs/dbraw/zinc/11/60/48/775116048.db2.gz FHBKKLBJTFGJDR-UHFFFAOYSA-N 1 2 268.321 -1.719 20 0 CAADLO C[C@H](CNC(=O)c1nnc[nH]1)[N@H+](C)[C@@H](C)C(N)=O ZINC001282466760 775117577 /nfs/dbraw/zinc/11/75/77/775117577.db2.gz DGCVWIBFIBXGDS-RQJHMYQMSA-N 1 2 254.294 -1.271 20 0 CAADLO C[C@H](CNC(=O)c1nnc[nH]1)[N@@H+](C)[C@@H](C)C(N)=O ZINC001282466760 775117582 /nfs/dbraw/zinc/11/75/82/775117582.db2.gz DGCVWIBFIBXGDS-RQJHMYQMSA-N 1 2 254.294 -1.271 20 0 CAADLO C[C@H](CNC(=O)c1ncn[nH]1)[N@H+](C)[C@@H](C)C(N)=O ZINC001282466760 775117583 /nfs/dbraw/zinc/11/75/83/775117583.db2.gz DGCVWIBFIBXGDS-RQJHMYQMSA-N 1 2 254.294 -1.271 20 0 CAADLO C[C@H](CNC(=O)c1ncn[nH]1)[N@@H+](C)[C@@H](C)C(N)=O ZINC001282466760 775117588 /nfs/dbraw/zinc/11/75/88/775117588.db2.gz DGCVWIBFIBXGDS-RQJHMYQMSA-N 1 2 254.294 -1.271 20 0 CAADLO C[C@H](CNC(=O)c1nc[nH]n1)[N@H+](C)[C@@H](C)C(N)=O ZINC001282466760 775117589 /nfs/dbraw/zinc/11/75/89/775117589.db2.gz DGCVWIBFIBXGDS-RQJHMYQMSA-N 1 2 254.294 -1.271 20 0 CAADLO C[C@H](CNC(=O)c1nc[nH]n1)[N@@H+](C)[C@@H](C)C(N)=O ZINC001282466760 775117593 /nfs/dbraw/zinc/11/75/93/775117593.db2.gz DGCVWIBFIBXGDS-RQJHMYQMSA-N 1 2 254.294 -1.271 20 0 CAADLO NC(=O)CN1CC[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001266333878 775117739 /nfs/dbraw/zinc/11/77/39/775117739.db2.gz VOTXNZTYDZZGDH-JTQLQIEISA-N 1 2 265.317 -1.051 20 0 CAADLO C[C@H](C(N)=O)[N@@H+](C)[C@@H](C)CNC(=O)c1nnc[nH]1 ZINC001282466758 775117770 /nfs/dbraw/zinc/11/77/70/775117770.db2.gz DGCVWIBFIBXGDS-NKWVEPMBSA-N 1 2 254.294 -1.271 20 0 CAADLO C[C@H](C(N)=O)[N@H+](C)[C@@H](C)CNC(=O)c1nnc[nH]1 ZINC001282466758 775117775 /nfs/dbraw/zinc/11/77/75/775117775.db2.gz DGCVWIBFIBXGDS-NKWVEPMBSA-N 1 2 254.294 -1.271 20 0 CAADLO C[C@H](C(N)=O)[N@@H+](C)[C@@H](C)CNC(=O)c1ncn[nH]1 ZINC001282466758 775117780 /nfs/dbraw/zinc/11/77/80/775117780.db2.gz DGCVWIBFIBXGDS-NKWVEPMBSA-N 1 2 254.294 -1.271 20 0 CAADLO C[C@H](C(N)=O)[N@H+](C)[C@@H](C)CNC(=O)c1ncn[nH]1 ZINC001282466758 775117785 /nfs/dbraw/zinc/11/77/85/775117785.db2.gz DGCVWIBFIBXGDS-NKWVEPMBSA-N 1 2 254.294 -1.271 20 0 CAADLO C[C@H](C(N)=O)[N@@H+](C)[C@@H](C)CNC(=O)c1nc[nH]n1 ZINC001282466758 775117792 /nfs/dbraw/zinc/11/77/92/775117792.db2.gz DGCVWIBFIBXGDS-NKWVEPMBSA-N 1 2 254.294 -1.271 20 0 CAADLO C[C@H](C(N)=O)[N@H+](C)[C@@H](C)CNC(=O)c1nc[nH]n1 ZINC001282466758 775117795 /nfs/dbraw/zinc/11/77/95/775117795.db2.gz DGCVWIBFIBXGDS-NKWVEPMBSA-N 1 2 254.294 -1.271 20 0 CAADLO CN1CC[C@@H]([N@H+](C)CCNC(=O)c2nnc[nH]2)C1=O ZINC001266339953 775118735 /nfs/dbraw/zinc/11/87/35/775118735.db2.gz CFMFIVMURWXOQO-MRVPVSSYSA-N 1 2 266.305 -1.303 20 0 CAADLO CN1CC[C@@H]([N@@H+](C)CCNC(=O)c2nnc[nH]2)C1=O ZINC001266339953 775118741 /nfs/dbraw/zinc/11/87/41/775118741.db2.gz CFMFIVMURWXOQO-MRVPVSSYSA-N 1 2 266.305 -1.303 20 0 CAADLO C[N@H+](CCNC(=O)c1cc(C(N)=O)c[nH]1)CC(N)=O ZINC001266342164 775119015 /nfs/dbraw/zinc/11/90/15/775119015.db2.gz IVOGNOHBIBRBIL-UHFFFAOYSA-N 1 2 267.289 -1.740 20 0 CAADLO C[N@@H+](CCNC(=O)c1cc(C(N)=O)c[nH]1)CC(N)=O ZINC001266342164 775119019 /nfs/dbraw/zinc/11/90/19/775119019.db2.gz IVOGNOHBIBRBIL-UHFFFAOYSA-N 1 2 267.289 -1.740 20 0 CAADLO CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@]2(C)CCNC2=O)C1 ZINC001266342324 775119629 /nfs/dbraw/zinc/11/96/29/775119629.db2.gz QOTOWVUENZRXDC-HZMBPMFUSA-N 1 2 296.371 -1.161 20 0 CAADLO CCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@]2(C)CCNC2=O)C1 ZINC001266342324 775119640 /nfs/dbraw/zinc/11/96/40/775119640.db2.gz QOTOWVUENZRXDC-HZMBPMFUSA-N 1 2 296.371 -1.161 20 0 CAADLO CC[NH+]1CC(CCO)(NC(=O)CNC(=O)OC)C1 ZINC001282508374 775121087 /nfs/dbraw/zinc/12/10/87/775121087.db2.gz ABFRUSBXDGNKDZ-UHFFFAOYSA-N 1 2 259.306 -1.085 20 0 CAADLO CC[C@@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)C(=O)NCC2CC2)C1 ZINC001266350811 775121266 /nfs/dbraw/zinc/12/12/66/775121266.db2.gz YDQBCJPIMOJNLQ-QWRGUYRKSA-N 1 2 296.371 -1.033 20 0 CAADLO CC[C@@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)C(=O)NCC2CC2)C1 ZINC001266350811 775121271 /nfs/dbraw/zinc/12/12/71/775121271.db2.gz YDQBCJPIMOJNLQ-QWRGUYRKSA-N 1 2 296.371 -1.033 20 0 CAADLO C[N@H+](CCNC(=O)[C@@H]1C[C@]12CCOC2)CC(N)=O ZINC001266347209 775121965 /nfs/dbraw/zinc/12/19/65/775121965.db2.gz IDZBAAOHMRXHPV-CABZTGNLSA-N 1 2 255.318 -1.054 20 0 CAADLO C[N@@H+](CCNC(=O)[C@@H]1C[C@]12CCOC2)CC(N)=O ZINC001266347209 775121970 /nfs/dbraw/zinc/12/19/70/775121970.db2.gz IDZBAAOHMRXHPV-CABZTGNLSA-N 1 2 255.318 -1.054 20 0 CAADLO CNC(=O)C[N@H+](C)CCNC(=O)Cn1cncn1 ZINC001266357294 775124138 /nfs/dbraw/zinc/12/41/38/775124138.db2.gz SSPIYSDKRSWNPV-UHFFFAOYSA-N 1 2 254.294 -1.928 20 0 CAADLO CNC(=O)C[N@@H+](C)CCNC(=O)Cn1cncn1 ZINC001266357294 775124144 /nfs/dbraw/zinc/12/41/44/775124144.db2.gz SSPIYSDKRSWNPV-UHFFFAOYSA-N 1 2 254.294 -1.928 20 0 CAADLO CC(C)C[C@H](C(N)=O)C(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001266363623 775125188 /nfs/dbraw/zinc/12/51/88/775125188.db2.gz KNWCNRBFVXBHKK-NXEZZACHSA-N 1 2 284.360 -1.190 20 0 CAADLO CC(C)C[C@H](C(N)=O)C(=O)N[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001266363623 775125182 /nfs/dbraw/zinc/12/51/82/775125182.db2.gz KNWCNRBFVXBHKK-NXEZZACHSA-N 1 2 284.360 -1.190 20 0 CAADLO C[C@H](C(=O)N1CCC(O)CC1)N1CC[NH2+]CC1=O ZINC000705746932 775127578 /nfs/dbraw/zinc/12/75/78/775127578.db2.gz ZFCBTQRJFNCJEW-SECBINFHSA-N 1 2 255.318 -1.210 20 0 CAADLO CC(C)[C@H](CO)NC(=O)[C@@H](C)N1CC[NH2+]CC1=O ZINC000705770919 775128299 /nfs/dbraw/zinc/12/82/99/775128299.db2.gz YYWLTUMRQNFMBA-ZJUUUORDSA-N 1 2 257.334 -1.060 20 0 CAADLO CC[C@H](NC(C)=O)C(=O)NCCC[NH2+]Cc1nnn(C)n1 ZINC001167177622 775129742 /nfs/dbraw/zinc/12/97/42/775129742.db2.gz XPUMIXCGMIJCFD-JTQLQIEISA-N 1 2 297.363 -1.279 20 0 CAADLO CN(C(=O)CC(N)=O)C1CC([NH2+]Cc2nnn(C)n2)C1 ZINC001279216074 775130168 /nfs/dbraw/zinc/13/01/68/775130168.db2.gz HRGURUXBURJPTJ-UHFFFAOYSA-N 1 2 281.320 -1.836 20 0 CAADLO CC[N@H+](CCNC(=O)c1nnc[nH]1)CC(=O)NC ZINC001266422549 775130572 /nfs/dbraw/zinc/13/05/72/775130572.db2.gz GFMAPNKNWQHCLJ-UHFFFAOYSA-N 1 2 254.294 -1.398 20 0 CAADLO CC[N@@H+](CCNC(=O)c1nnc[nH]1)CC(=O)NC ZINC001266422549 775130575 /nfs/dbraw/zinc/13/05/75/775130575.db2.gz GFMAPNKNWQHCLJ-UHFFFAOYSA-N 1 2 254.294 -1.398 20 0 CAADLO Cn1cnnc1CNC(=O)CN1CC[NH2+]CC1=O ZINC000705964019 775134068 /nfs/dbraw/zinc/13/40/68/775134068.db2.gz ZBIAVYWFEBCJSG-UHFFFAOYSA-N 1 2 252.278 -2.137 20 0 CAADLO Cn1[nH]c(C[N@@H+]2CC[C@H](CNC(=O)CC(N)=O)C2)nc1=O ZINC001266505513 775136420 /nfs/dbraw/zinc/13/64/20/775136420.db2.gz LTECBYXYDNYSOX-MRVPVSSYSA-N 1 2 296.331 -2.078 20 0 CAADLO Cn1[nH]c(C[N@H+]2CC[C@H](CNC(=O)CC(N)=O)C2)nc1=O ZINC001266505513 775136430 /nfs/dbraw/zinc/13/64/30/775136430.db2.gz LTECBYXYDNYSOX-MRVPVSSYSA-N 1 2 296.331 -2.078 20 0 CAADLO C[C@@H](c1nnnn1C)[N@@H+]1CC[C@H](CNC(=O)CC(N)=O)C1 ZINC001266506534 775136880 /nfs/dbraw/zinc/13/68/80/775136880.db2.gz XYAVQOSXRFASBI-DTWKUNHWSA-N 1 2 295.347 -1.415 20 0 CAADLO C[C@@H](c1nnnn1C)[N@H+]1CC[C@H](CNC(=O)CC(N)=O)C1 ZINC001266506534 775136889 /nfs/dbraw/zinc/13/68/89/775136889.db2.gz XYAVQOSXRFASBI-DTWKUNHWSA-N 1 2 295.347 -1.415 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+]1CC[C@H]1CNC(=O)c1cc(=O)n(C)o1 ZINC001038197152 775144017 /nfs/dbraw/zinc/14/40/17/775144017.db2.gz DVXYYRAWRAYHKX-BDAKNGLRSA-N 1 2 296.327 -1.083 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+]1CC[C@H]1CNC(=O)c1cc(=O)n(C)o1 ZINC001038197152 775144030 /nfs/dbraw/zinc/14/40/30/775144030.db2.gz DVXYYRAWRAYHKX-BDAKNGLRSA-N 1 2 296.327 -1.083 20 0 CAADLO Cn1nnnc1C[NH2+]CCNC(=O)CCc1nnc[nH]1 ZINC001125419643 775146390 /nfs/dbraw/zinc/14/63/90/775146390.db2.gz OHLNIKRJRFINSN-UHFFFAOYSA-N 1 2 279.308 -1.833 20 0 CAADLO CCC[N@H+](CCNC(=O)C(N)=O)CC(=O)Nc1ccon1 ZINC001266571299 775147234 /nfs/dbraw/zinc/14/72/34/775147234.db2.gz OXARLHFSEPVVHP-UHFFFAOYSA-N 1 2 297.315 -1.073 20 0 CAADLO CCC[N@@H+](CCNC(=O)C(N)=O)CC(=O)Nc1ccon1 ZINC001266571299 775147241 /nfs/dbraw/zinc/14/72/41/775147241.db2.gz OXARLHFSEPVVHP-UHFFFAOYSA-N 1 2 297.315 -1.073 20 0 CAADLO CC[C@@H](C)NC(=O)C[N@H+](CCNC(=O)C(N)=O)C1CC1 ZINC001266607000 775151395 /nfs/dbraw/zinc/15/13/95/775151395.db2.gz LFCNJMLKXBNTHD-SECBINFHSA-N 1 2 284.360 -1.033 20 0 CAADLO CC[C@@H](C)NC(=O)C[N@@H+](CCNC(=O)C(N)=O)C1CC1 ZINC001266607000 775151400 /nfs/dbraw/zinc/15/14/00/775151400.db2.gz LFCNJMLKXBNTHD-SECBINFHSA-N 1 2 284.360 -1.033 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+]1CC[C@@H]1CNC(=O)C1CN(C(C)=O)C1 ZINC001038205246 775156726 /nfs/dbraw/zinc/15/67/26/775156726.db2.gz RKQYTIIAAGODMC-JOYOIKCWSA-N 1 2 296.371 -1.210 20 0 CAADLO CNC(=O)[C@H](C)[N@H+]1CC[C@@H]1CNC(=O)C1CN(C(C)=O)C1 ZINC001038205246 775156728 /nfs/dbraw/zinc/15/67/28/775156728.db2.gz RKQYTIIAAGODMC-JOYOIKCWSA-N 1 2 296.371 -1.210 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+]1CC[C@H]1CNC(=O)C1CN(C(C)=O)C1 ZINC001038205247 775156751 /nfs/dbraw/zinc/15/67/51/775156751.db2.gz RKQYTIIAAGODMC-SKDRFNHKSA-N 1 2 296.371 -1.210 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+]1CC[C@H]1CNC(=O)C1CN(C(C)=O)C1 ZINC001038205247 775156754 /nfs/dbraw/zinc/15/67/54/775156754.db2.gz RKQYTIIAAGODMC-SKDRFNHKSA-N 1 2 296.371 -1.210 20 0 CAADLO O=C(NC[C@@H]1CC[N@@H+]1[C@@H]1CCNC1=O)c1ccc(=O)[nH]n1 ZINC001038038087 775161053 /nfs/dbraw/zinc/16/10/53/775161053.db2.gz VDTCTDFGAUYLPT-WCBMZHEXSA-N 1 2 291.311 -1.125 20 0 CAADLO O=C(NC[C@@H]1CC[N@H+]1[C@@H]1CCNC1=O)c1ccc(=O)[nH]n1 ZINC001038038087 775161060 /nfs/dbraw/zinc/16/10/60/775161060.db2.gz VDTCTDFGAUYLPT-WCBMZHEXSA-N 1 2 291.311 -1.125 20 0 CAADLO O=C(NC[C@H]1CC[N@@H+]1[C@@H]1CCNC1=O)c1ccc(=O)[nH]n1 ZINC001038038085 775161091 /nfs/dbraw/zinc/16/10/91/775161091.db2.gz VDTCTDFGAUYLPT-PSASIEDQSA-N 1 2 291.311 -1.125 20 0 CAADLO O=C(NC[C@H]1CC[N@H+]1[C@@H]1CCNC1=O)c1ccc(=O)[nH]n1 ZINC001038038085 775161097 /nfs/dbraw/zinc/16/10/97/775161097.db2.gz VDTCTDFGAUYLPT-PSASIEDQSA-N 1 2 291.311 -1.125 20 0 CAADLO Cn1nncc1C(=O)NC[C@@H]1CC[N@@H+]1CCn1cncn1 ZINC001038210464 775165107 /nfs/dbraw/zinc/16/51/07/775165107.db2.gz DRDYZOAPGRRGDT-JTQLQIEISA-N 1 2 290.331 -1.089 20 0 CAADLO Cn1nncc1C(=O)NC[C@@H]1CC[N@H+]1CCn1cncn1 ZINC001038210464 775165119 /nfs/dbraw/zinc/16/51/19/775165119.db2.gz DRDYZOAPGRRGDT-JTQLQIEISA-N 1 2 290.331 -1.089 20 0 CAADLO Cn1nnc(C[NH2+][C@H]2C[C@@H](NC(=O)C3(C(N)=O)CC3)C2)n1 ZINC001266708446 775165496 /nfs/dbraw/zinc/16/54/96/775165496.db2.gz UNPJJBWMWKYORD-OCAPTIKFSA-N 1 2 293.331 -1.788 20 0 CAADLO Cn1cc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3nnn(C)n3)C2)nn1 ZINC001022041201 775170690 /nfs/dbraw/zinc/17/06/90/775170690.db2.gz LPMUGMMOPMJIRS-OCAPTIKFSA-N 1 2 291.319 -1.611 20 0 CAADLO CN(CC[NH2+]Cc1nc(=O)n(C)[nH]1)C(=O)C(N)=O ZINC001266824873 775174954 /nfs/dbraw/zinc/17/49/54/775174954.db2.gz VAVJIYGIAXDOLC-UHFFFAOYSA-N 1 2 256.266 -2.858 20 0 CAADLO CN(CC[NH2+]Cc1nc(=O)n(C)[nH]1)C(=O)[C@@H]1CNC(=O)N1 ZINC001266822417 775174974 /nfs/dbraw/zinc/17/49/74/775174974.db2.gz WTEIWVKWKSDTEW-ZETCQYMHSA-N 1 2 297.319 -2.662 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CNC(=O)N1 ZINC001039426554 775176773 /nfs/dbraw/zinc/17/67/73/775176773.db2.gz JIMLCCYQMKXFOU-KXUCPTDWSA-N 1 2 295.343 -1.782 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CNC(=O)N1 ZINC001039426554 775176775 /nfs/dbraw/zinc/17/67/75/775176775.db2.gz JIMLCCYQMKXFOU-KXUCPTDWSA-N 1 2 295.343 -1.782 20 0 CAADLO Cc1cc(CC(=O)NCC[NH2+]Cc2nc(=O)n(C)[nH]2)n[nH]1 ZINC001125542806 775178499 /nfs/dbraw/zinc/17/84/99/775178499.db2.gz WZWYPPQNWICKPQ-UHFFFAOYSA-N 1 2 293.331 -1.412 20 0 CAADLO Cc1cc(CC(=O)NCC[NH2+]Cc2nc(=O)n(C)[nH]2)[nH]n1 ZINC001125542806 775178512 /nfs/dbraw/zinc/17/85/12/775178512.db2.gz WZWYPPQNWICKPQ-UHFFFAOYSA-N 1 2 293.331 -1.412 20 0 CAADLO CNC(=O)Cc1noc(C[NH2+][C@@H](C)CNC(C)=O)n1 ZINC001266918056 775183795 /nfs/dbraw/zinc/18/37/95/775183795.db2.gz PSSRCTLKGWXEFD-ZETCQYMHSA-N 1 2 269.305 -1.028 20 0 CAADLO CNC(=O)Cc1noc(C[NH2+][C@H](C)CNC(C)=O)n1 ZINC001266918055 775184405 /nfs/dbraw/zinc/18/44/05/775184405.db2.gz PSSRCTLKGWXEFD-SSDOTTSWSA-N 1 2 269.305 -1.028 20 0 CAADLO Cc1nnc(C[NH2+][C@H](C)CNC(=O)CC(N)=O)o1 ZINC001266930285 775186749 /nfs/dbraw/zinc/18/67/49/775186749.db2.gz RJEPSHJJJRPLBS-ZCFIWIBFSA-N 1 2 255.278 -1.152 20 0 CAADLO CCCCn1nnnc1C[NH2+][C@H](C)CNC(=O)C(N)=O ZINC001266967141 775188876 /nfs/dbraw/zinc/18/88/76/775188876.db2.gz IRSGYETVLMJTNQ-MRVPVSSYSA-N 1 2 283.336 -1.447 20 0 CAADLO C[C@H](CNC(=O)c1nnc[nH]1)[NH2+]Cc1cn(C)nn1 ZINC001266979634 775191151 /nfs/dbraw/zinc/19/11/51/775191151.db2.gz JEOWVEZQBFXURY-SSDOTTSWSA-N 1 2 264.293 -1.159 20 0 CAADLO NC(=O)[C@H](CO)NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001140505518 775191378 /nfs/dbraw/zinc/19/13/78/775191378.db2.gz PTHRHUQLMRONPZ-APPZFPTMSA-N 1 2 252.274 -1.592 20 0 CAADLO C[C@H](O)C[N@@H+]1C[C@H]2OCCN(C(=O)Cc3ncn[nH]3)[C@H]2C1 ZINC001083244124 775202090 /nfs/dbraw/zinc/20/20/90/775202090.db2.gz JYWFCVXPRLSEPT-GARJFASQSA-N 1 2 295.343 -1.360 20 0 CAADLO C[C@H](O)C[N@H+]1C[C@H]2OCCN(C(=O)Cc3ncn[nH]3)[C@H]2C1 ZINC001083244124 775202098 /nfs/dbraw/zinc/20/20/98/775202098.db2.gz JYWFCVXPRLSEPT-GARJFASQSA-N 1 2 295.343 -1.360 20 0 CAADLO COCC(=O)NCCN(CCO)C(=O)Cc1[nH]cc[nH+]1 ZINC001058547906 775202452 /nfs/dbraw/zinc/20/24/52/775202452.db2.gz ZWBHNFFKCLQOFG-UHFFFAOYSA-N 1 2 284.316 -1.464 20 0 CAADLO CN(CC[NH2+]Cc1cnon1)C(=O)C[C@H]1CC(=O)NC1=O ZINC001267159798 775206173 /nfs/dbraw/zinc/20/61/73/775206173.db2.gz YMUANOTWAVSECH-MRVPVSSYSA-N 1 2 295.299 -1.330 20 0 CAADLO C[N@H+](CCNC(=O)CNC(=O)C1CC1)CC(N)=O ZINC001267187297 775208126 /nfs/dbraw/zinc/20/81/26/775208126.db2.gz RUVQBUUQAOJOMD-UHFFFAOYSA-N 1 2 256.306 -1.954 20 0 CAADLO C[N@@H+](CCNC(=O)CNC(=O)C1CC1)CC(N)=O ZINC001267187297 775208130 /nfs/dbraw/zinc/20/81/30/775208130.db2.gz RUVQBUUQAOJOMD-UHFFFAOYSA-N 1 2 256.306 -1.954 20 0 CAADLO O=C(NCC[NH2+]Cc1cnon1)[C@@H]1CCNC(=O)C1 ZINC001125631061 775211130 /nfs/dbraw/zinc/21/11/30/775211130.db2.gz RJNABJYAHXEVJP-MRVPVSSYSA-N 1 2 267.289 -1.198 20 0 CAADLO C[N@H+](CCNC(=O)CCc1nnc[nH]1)CC(N)=O ZINC001267190868 775211343 /nfs/dbraw/zinc/21/13/43/775211343.db2.gz JQEPGDRPWIDOFO-UHFFFAOYSA-N 1 2 254.294 -1.729 20 0 CAADLO C[N@@H+](CCNC(=O)CCc1nnc[nH]1)CC(N)=O ZINC001267190868 775211353 /nfs/dbraw/zinc/21/13/53/775211353.db2.gz JQEPGDRPWIDOFO-UHFFFAOYSA-N 1 2 254.294 -1.729 20 0 CAADLO CNC(=O)C[N@H+](C)CCNC(=O)C(=O)NCC(F)F ZINC001267204405 775211920 /nfs/dbraw/zinc/21/19/20/775211920.db2.gz AVUBWOBFXBGHKF-UHFFFAOYSA-N 1 2 280.275 -1.838 20 0 CAADLO CNC(=O)C[N@@H+](C)CCNC(=O)C(=O)NCC(F)F ZINC001267204405 775211924 /nfs/dbraw/zinc/21/19/24/775211924.db2.gz AVUBWOBFXBGHKF-UHFFFAOYSA-N 1 2 280.275 -1.838 20 0 CAADLO CN1C[C@H](C(=O)NCC[N@H+](C)CC(N)=O)CC1=O ZINC001267199810 775212064 /nfs/dbraw/zinc/21/20/64/775212064.db2.gz XCMLMZCGCDGUBX-MRVPVSSYSA-N 1 2 256.306 -2.002 20 0 CAADLO CN1C[C@H](C(=O)NCC[N@@H+](C)CC(N)=O)CC1=O ZINC001267199810 775212072 /nfs/dbraw/zinc/21/20/72/775212072.db2.gz XCMLMZCGCDGUBX-MRVPVSSYSA-N 1 2 256.306 -2.002 20 0 CAADLO CNC(=O)C[N@H+](C)CCNC(=O)CCn1ccnn1 ZINC001267193863 775212337 /nfs/dbraw/zinc/21/23/37/775212337.db2.gz XPDRNZASDZXPMF-UHFFFAOYSA-N 1 2 268.321 -1.538 20 0 CAADLO CNC(=O)C[N@@H+](C)CCNC(=O)CCn1ccnn1 ZINC001267193863 775212343 /nfs/dbraw/zinc/21/23/43/775212343.db2.gz XPDRNZASDZXPMF-UHFFFAOYSA-N 1 2 268.321 -1.538 20 0 CAADLO CNC(=O)C[N@H+](C)CCNC(=O)C(C)(C)C(N)=O ZINC001267200137 775213155 /nfs/dbraw/zinc/21/31/55/775213155.db2.gz FRGANQHAYZREER-UHFFFAOYSA-N 1 2 258.322 -1.708 20 0 CAADLO CNC(=O)C[N@@H+](C)CCNC(=O)C(C)(C)C(N)=O ZINC001267200137 775213160 /nfs/dbraw/zinc/21/31/60/775213160.db2.gz FRGANQHAYZREER-UHFFFAOYSA-N 1 2 258.322 -1.708 20 0 CAADLO CN(C)C(=O)C[N@H+](C)CCNC(=O)[C@]1(C)CCNC1=O ZINC001267216767 775215434 /nfs/dbraw/zinc/21/54/34/775215434.db2.gz ZZTFMHBAHRKJMU-CYBMUJFWSA-N 1 2 284.360 -1.351 20 0 CAADLO CN(C)C(=O)C[N@@H+](C)CCNC(=O)[C@]1(C)CCNC1=O ZINC001267216767 775215440 /nfs/dbraw/zinc/21/54/40/775215440.db2.gz ZZTFMHBAHRKJMU-CYBMUJFWSA-N 1 2 284.360 -1.351 20 0 CAADLO CN1CC[C@H](C(=O)NCC[N@H+](C)CC(=O)N2CCC2)C1=O ZINC001267210187 775215920 /nfs/dbraw/zinc/21/59/20/775215920.db2.gz ARZDAYFFMDHBLL-LLVKDONJSA-N 1 2 296.371 -1.255 20 0 CAADLO CN1CC[C@H](C(=O)NCC[N@@H+](C)CC(=O)N2CCC2)C1=O ZINC001267210187 775215926 /nfs/dbraw/zinc/21/59/26/775215926.db2.gz ARZDAYFFMDHBLL-LLVKDONJSA-N 1 2 296.371 -1.255 20 0 CAADLO CNC(=O)C[N@H+](C)CCNC(=O)c1nnn(C)n1 ZINC001267210798 775216364 /nfs/dbraw/zinc/21/63/64/775216364.db2.gz LEMJRSWWEWVYCJ-UHFFFAOYSA-N 1 2 255.282 -2.382 20 0 CAADLO CNC(=O)C[N@@H+](C)CCNC(=O)c1nnn(C)n1 ZINC001267210798 775216370 /nfs/dbraw/zinc/21/63/70/775216370.db2.gz LEMJRSWWEWVYCJ-UHFFFAOYSA-N 1 2 255.282 -2.382 20 0 CAADLO C[C@H]1CCCCN1C(=O)C[N@H+](C)CCNC(=O)C(N)=O ZINC001267214428 775216444 /nfs/dbraw/zinc/21/64/44/775216444.db2.gz XQZCZJBZSMCEIW-JTQLQIEISA-N 1 2 284.360 -1.079 20 0 CAADLO C[C@H]1CCCCN1C(=O)C[N@@H+](C)CCNC(=O)C(N)=O ZINC001267214428 775216450 /nfs/dbraw/zinc/21/64/50/775216450.db2.gz XQZCZJBZSMCEIW-JTQLQIEISA-N 1 2 284.360 -1.079 20 0 CAADLO CC[C@@H](C(N)=O)[N@H+](C)CCNC(=O)c1nnc[nH]1 ZINC001267223198 775218013 /nfs/dbraw/zinc/21/80/13/775218013.db2.gz DQHMYTJCGRGRRD-ZETCQYMHSA-N 1 2 254.294 -1.270 20 0 CAADLO CC[C@@H](C(N)=O)[N@@H+](C)CCNC(=O)c1nnc[nH]1 ZINC001267223198 775218025 /nfs/dbraw/zinc/21/80/25/775218025.db2.gz DQHMYTJCGRGRRD-ZETCQYMHSA-N 1 2 254.294 -1.270 20 0 CAADLO CC[C@@H](C(N)=O)[N@H+](C)CCNC(=O)c1ncn[nH]1 ZINC001267223198 775218032 /nfs/dbraw/zinc/21/80/32/775218032.db2.gz DQHMYTJCGRGRRD-ZETCQYMHSA-N 1 2 254.294 -1.270 20 0 CAADLO CC[C@@H](C(N)=O)[N@@H+](C)CCNC(=O)c1ncn[nH]1 ZINC001267223198 775218039 /nfs/dbraw/zinc/21/80/39/775218039.db2.gz DQHMYTJCGRGRRD-ZETCQYMHSA-N 1 2 254.294 -1.270 20 0 CAADLO CC[C@@H](C(N)=O)[N@H+](C)CCNC(=O)c1nc[nH]n1 ZINC001267223198 775218046 /nfs/dbraw/zinc/21/80/46/775218046.db2.gz DQHMYTJCGRGRRD-ZETCQYMHSA-N 1 2 254.294 -1.270 20 0 CAADLO CC[C@@H](C(N)=O)[N@@H+](C)CCNC(=O)c1nc[nH]n1 ZINC001267223198 775218055 /nfs/dbraw/zinc/21/80/55/775218055.db2.gz DQHMYTJCGRGRRD-ZETCQYMHSA-N 1 2 254.294 -1.270 20 0 CAADLO CNC(=O)C[N@H+](C)CCNC(=O)C(=O)NCC1CC1 ZINC001267224944 775218647 /nfs/dbraw/zinc/21/86/47/775218647.db2.gz NMWOHINRGKQITA-UHFFFAOYSA-N 1 2 270.333 -1.693 20 0 CAADLO CNC(=O)C[N@@H+](C)CCNC(=O)C(=O)NCC1CC1 ZINC001267224944 775218654 /nfs/dbraw/zinc/21/86/54/775218654.db2.gz NMWOHINRGKQITA-UHFFFAOYSA-N 1 2 270.333 -1.693 20 0 CAADLO CC[N@H+](CCNC(=O)c1nnc[nH]1)[C@@H](C)C(N)=O ZINC001267252815 775220198 /nfs/dbraw/zinc/22/01/98/775220198.db2.gz ALBHRCHUGZMLAZ-ZETCQYMHSA-N 1 2 254.294 -1.270 20 0 CAADLO CC[N@@H+](CCNC(=O)c1nnc[nH]1)[C@@H](C)C(N)=O ZINC001267252815 775220204 /nfs/dbraw/zinc/22/02/04/775220204.db2.gz ALBHRCHUGZMLAZ-ZETCQYMHSA-N 1 2 254.294 -1.270 20 0 CAADLO CC[N@H+](CCNC(=O)c1ncn[nH]1)[C@@H](C)C(N)=O ZINC001267252815 775220210 /nfs/dbraw/zinc/22/02/10/775220210.db2.gz ALBHRCHUGZMLAZ-ZETCQYMHSA-N 1 2 254.294 -1.270 20 0 CAADLO CC[N@@H+](CCNC(=O)c1ncn[nH]1)[C@@H](C)C(N)=O ZINC001267252815 775220214 /nfs/dbraw/zinc/22/02/14/775220214.db2.gz ALBHRCHUGZMLAZ-ZETCQYMHSA-N 1 2 254.294 -1.270 20 0 CAADLO CC[N@H+](CCNC(=O)CCc1cn[nH]n1)CC(N)=O ZINC001267250086 775221647 /nfs/dbraw/zinc/22/16/47/775221647.db2.gz DXXOIBRHUFUHOK-UHFFFAOYSA-N 1 2 268.321 -1.339 20 0 CAADLO CC[N@@H+](CCNC(=O)CCc1cn[nH]n1)CC(N)=O ZINC001267250086 775221658 /nfs/dbraw/zinc/22/16/58/775221658.db2.gz DXXOIBRHUFUHOK-UHFFFAOYSA-N 1 2 268.321 -1.339 20 0 CAADLO CC[N@H+](CCNC(=O)CCc1c[nH]nn1)CC(N)=O ZINC001267250086 775221668 /nfs/dbraw/zinc/22/16/68/775221668.db2.gz DXXOIBRHUFUHOK-UHFFFAOYSA-N 1 2 268.321 -1.339 20 0 CAADLO CC[N@@H+](CCNC(=O)CCc1c[nH]nn1)CC(N)=O ZINC001267250086 775221675 /nfs/dbraw/zinc/22/16/75/775221675.db2.gz DXXOIBRHUFUHOK-UHFFFAOYSA-N 1 2 268.321 -1.339 20 0 CAADLO Cn1cnc(C(=O)NCC[NH2+]Cc2nc(=O)n(C)[nH]2)c1 ZINC001125675903 775222921 /nfs/dbraw/zinc/22/29/21/775222921.db2.gz IRUJFISNTBTXOB-UHFFFAOYSA-N 1 2 279.304 -1.639 20 0 CAADLO CNC(=O)NC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)C(N)=O ZINC001267273542 775223225 /nfs/dbraw/zinc/22/32/25/775223225.db2.gz FXMWTKWTRMMVED-SSDOTTSWSA-N 1 2 285.304 -2.492 20 0 CAADLO CNC(=O)NC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)C(N)=O ZINC001267273542 775223231 /nfs/dbraw/zinc/22/32/31/775223231.db2.gz FXMWTKWTRMMVED-SSDOTTSWSA-N 1 2 285.304 -2.492 20 0 CAADLO Cn1[nH]c(C[NH2+]CCNC(=O)C[C@H]2COC(=O)C2)nc1=O ZINC001125677043 775223745 /nfs/dbraw/zinc/22/37/45/775223745.db2.gz ZPZVFACFFPWRAZ-MRVPVSSYSA-N 1 2 297.315 -1.733 20 0 CAADLO CC(C)CNC(=O)C[N@H+](CCNC(=O)C(N)=O)C1CC1 ZINC001267332232 775231134 /nfs/dbraw/zinc/23/11/34/775231134.db2.gz HOUURAWLWRWGHK-UHFFFAOYSA-N 1 2 284.360 -1.176 20 0 CAADLO CC(C)CNC(=O)C[N@@H+](CCNC(=O)C(N)=O)C1CC1 ZINC001267332232 775231143 /nfs/dbraw/zinc/23/11/43/775231143.db2.gz HOUURAWLWRWGHK-UHFFFAOYSA-N 1 2 284.360 -1.176 20 0 CAADLO CN(CC[NH2+]Cc1nc(=O)n(C)[nH]1)C(=O)c1cnn(C)c1 ZINC001267343566 775232074 /nfs/dbraw/zinc/23/20/74/775232074.db2.gz AUEAZBJRKSPAAG-UHFFFAOYSA-N 1 2 293.331 -1.296 20 0 CAADLO CN(CC[NH2+]Cc1nc(=O)n(C)[nH]1)C(=O)[C@H]1COC(=O)N1 ZINC001267367863 775233980 /nfs/dbraw/zinc/23/39/80/775233980.db2.gz LXBGEALVCRCBBL-SSDOTTSWSA-N 1 2 298.303 -2.235 20 0 CAADLO CCC(=O)NCC(=O)N(C)CC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001267355057 775234807 /nfs/dbraw/zinc/23/48/07/775234807.db2.gz GMHSCYDENFRIFX-UHFFFAOYSA-N 1 2 298.347 -1.817 20 0 CAADLO Cn1[nH]c(C[NH2+]CCNC(=O)Cc2cccnc2)nc1=O ZINC001125705999 775236699 /nfs/dbraw/zinc/23/66/99/775236699.db2.gz VPVJJHRDPLDSCQ-UHFFFAOYSA-N 1 2 290.327 -1.048 20 0 CAADLO Cc1nnc(C[NH2+]CCN(C)C(=O)Cn2ncnn2)o1 ZINC001267374129 775236879 /nfs/dbraw/zinc/23/68/79/775236879.db2.gz WTYMDZKWLPEOIR-UHFFFAOYSA-N 1 2 280.292 -1.387 20 0 CAADLO CO[C@@H](C)C(=O)NCCN(CCO)C(=O)Cc1[nH]cc[nH+]1 ZINC001058550260 775242616 /nfs/dbraw/zinc/24/26/16/775242616.db2.gz QIDVKGZBVCMCBV-JTQLQIEISA-N 1 2 298.343 -1.076 20 0 CAADLO CN(CC[NH2+]Cc1nc(=O)n(C)[nH]1)C(=O)c1cnon1 ZINC001267444256 775244824 /nfs/dbraw/zinc/24/48/24/775244824.db2.gz WANWDRDKBIUKET-UHFFFAOYSA-N 1 2 281.276 -1.647 20 0 CAADLO CN(CC[NH2+]Cc1ncnn1C)C(=O)C(=O)NCC1CC1 ZINC001267447314 775245642 /nfs/dbraw/zinc/24/56/42/775245642.db2.gz OQZDFEKUZWAIKS-UHFFFAOYSA-N 1 2 294.359 -1.111 20 0 CAADLO CC(C)C[C@@H](C(N)=O)C(=O)NC1C[NH+](CCO)C1 ZINC001267673067 775281867 /nfs/dbraw/zinc/28/18/67/775281867.db2.gz VUUQIIXOXZQTPW-JTQLQIEISA-N 1 2 257.334 -1.073 20 0 CAADLO CCC[N@H+](C)CC(=O)N(C)CCNCc1nc(=O)n(C)[nH]1 ZINC001267458154 775247273 /nfs/dbraw/zinc/24/72/73/775247273.db2.gz AXROCAPVDIDGKY-UHFFFAOYSA-N 1 2 298.391 -1.002 20 0 CAADLO CCC[N@@H+](C)CC(=O)N(C)CCNCc1nc(=O)n(C)[nH]1 ZINC001267458154 775247282 /nfs/dbraw/zinc/24/72/82/775247282.db2.gz AXROCAPVDIDGKY-UHFFFAOYSA-N 1 2 298.391 -1.002 20 0 CAADLO CNC(=O)C[NH2+]Cc1cn([C@H]2CCN(C(C)=O)C2)nn1 ZINC001098589275 775252035 /nfs/dbraw/zinc/25/20/35/775252035.db2.gz UMRDFAOMHVHABL-NSHDSACASA-N 1 2 280.332 -1.093 20 0 CAADLO CN(C)C(=O)C[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CC(=O)N(C)C1 ZINC001038310403 775252400 /nfs/dbraw/zinc/25/24/00/775252400.db2.gz MBLNLMWKYYRPPL-GHMZBOCLSA-N 1 2 296.371 -1.257 20 0 CAADLO CN(C)C(=O)C[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CC(=O)N(C)C1 ZINC001038310403 775252406 /nfs/dbraw/zinc/25/24/06/775252406.db2.gz MBLNLMWKYYRPPL-GHMZBOCLSA-N 1 2 296.371 -1.257 20 0 CAADLO CCCN(C(=O)C(N)=O)[C@@H]1CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001267546128 775255366 /nfs/dbraw/zinc/25/53/66/775255366.db2.gz ILQLSTLRGXUAQW-MRVPVSSYSA-N 1 2 299.331 -2.021 20 0 CAADLO CCCN(C(=O)C(N)=O)[C@@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001267546128 775255371 /nfs/dbraw/zinc/25/53/71/775255371.db2.gz ILQLSTLRGXUAQW-MRVPVSSYSA-N 1 2 299.331 -2.021 20 0 CAADLO C[C@H](CN(C)C(=O)C(N)=O)[NH2+]Cc1ncccn1 ZINC001283664955 775257568 /nfs/dbraw/zinc/25/75/68/775257568.db2.gz QNVQGHGKARXGFX-MRVPVSSYSA-N 1 2 251.290 -1.102 20 0 CAADLO CCC(=O)N(C)CC[NH+]1CCN(CC(N)=O)CC1 ZINC001267570954 775257664 /nfs/dbraw/zinc/25/76/64/775257664.db2.gz GVXUIXJXJBHDQQ-UHFFFAOYSA-N 1 2 256.350 -1.042 20 0 CAADLO C[C@@H]1CN(C(=O)C(N)=O)C[C@H]1CC[NH2+]Cc1nnn(C)n1 ZINC001104609523 775260905 /nfs/dbraw/zinc/26/09/05/775260905.db2.gz SDDAXGMZTLEJHC-RKDXNWHRSA-N 1 2 295.347 -1.730 20 0 CAADLO CN(CC[NH+]1CCN(CC(N)=O)CC1)C(=O)C1CC1 ZINC001267605004 775262660 /nfs/dbraw/zinc/26/26/60/775262660.db2.gz JSCMJIIIBGKWRK-UHFFFAOYSA-N 1 2 268.361 -1.042 20 0 CAADLO CNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)C(N)=O)C1 ZINC001267615489 775264211 /nfs/dbraw/zinc/26/42/11/775264211.db2.gz PZPKPDPIMMIFTJ-SECBINFHSA-N 1 2 284.360 -1.176 20 0 CAADLO CNC(=O)C[N@H+]1CCC[C@@H](NC(=O)C(C)(C)C(N)=O)C1 ZINC001267615489 775264217 /nfs/dbraw/zinc/26/42/17/775264217.db2.gz PZPKPDPIMMIFTJ-SECBINFHSA-N 1 2 284.360 -1.176 20 0 CAADLO [NH3+][C@@H]1NCN(C(=O)[C@@H]2CCCS2(=O)=O)[C@H]2NCN[C@@H]21 ZINC001143484678 775266863 /nfs/dbraw/zinc/26/68/63/775266863.db2.gz VXBVABAFBVFYDS-JQCXWYLXSA-N 1 2 289.361 -2.917 20 0 CAADLO NC(=O)C(=O)N(CCO)CCNC(=O)CCc1c[nH]c[nH+]1 ZINC001058643378 775269664 /nfs/dbraw/zinc/26/96/64/775269664.db2.gz NWLIDLULHASCQU-UHFFFAOYSA-N 1 2 297.315 -2.235 20 0 CAADLO NC(=O)C(=O)N(CCO)CCNC(=O)CCc1c[nH+]c[nH]1 ZINC001058643378 775269675 /nfs/dbraw/zinc/26/96/75/775269675.db2.gz NWLIDLULHASCQU-UHFFFAOYSA-N 1 2 297.315 -2.235 20 0 CAADLO CNC(=O)C[N@@H+]1CCC[C@H](NC(=O)C2(C(=O)NC)CC2)C1 ZINC001267632335 775274155 /nfs/dbraw/zinc/27/41/55/775274155.db2.gz OBLLVZFFBLUAHY-JTQLQIEISA-N 1 2 296.371 -1.161 20 0 CAADLO CNC(=O)C[N@H+]1CCC[C@H](NC(=O)C2(C(=O)NC)CC2)C1 ZINC001267632335 775274158 /nfs/dbraw/zinc/27/41/58/775274158.db2.gz OBLLVZFFBLUAHY-JTQLQIEISA-N 1 2 296.371 -1.161 20 0 CAADLO CNC(=O)C[N@@H+]1CCC[C@H](NC(=O)C2(C(N)=O)CC2)C1 ZINC001267629731 775274250 /nfs/dbraw/zinc/27/42/50/775274250.db2.gz HTVQEIUBPVUGPA-VIFPVBQESA-N 1 2 282.344 -1.422 20 0 CAADLO CNC(=O)C[N@H+]1CCC[C@H](NC(=O)C2(C(N)=O)CC2)C1 ZINC001267629731 775274251 /nfs/dbraw/zinc/27/42/51/775274251.db2.gz HTVQEIUBPVUGPA-VIFPVBQESA-N 1 2 282.344 -1.422 20 0 CAADLO COC[C@H](O)C[NH+]1CC(NC(=O)Cn2cccn2)C1 ZINC001267635258 775274499 /nfs/dbraw/zinc/27/44/99/775274499.db2.gz HURCYIBTUYWUDU-LLVKDONJSA-N 1 2 268.317 -1.309 20 0 CAADLO COCC[NH+]1CC(NC(=O)CNC(=O)C2CC2)C1 ZINC001267637275 775274516 /nfs/dbraw/zinc/27/45/16/775274516.db2.gz HYVYMRZOKBIBKA-UHFFFAOYSA-N 1 2 255.318 -1.041 20 0 CAADLO COC[C@H](O)C[NH+]1CC(NC(=O)C2(C(N)=O)CC2)C1 ZINC001267657543 775279886 /nfs/dbraw/zinc/27/98/86/775279886.db2.gz YLZODVYORVJOSV-SECBINFHSA-N 1 2 271.317 -1.940 20 0 CAADLO CCOCC[NH+]1CC(NC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001267661970 775281132 /nfs/dbraw/zinc/28/11/32/775281132.db2.gz MYKZCNXBCYVIGQ-UHFFFAOYSA-N 1 2 283.328 -1.124 20 0 CAADLO COC[C@H](C)[NH+]1CC(NC(=O)CC[C@@H]2NC(=O)NC2=O)C1 ZINC001267668561 775281249 /nfs/dbraw/zinc/28/12/49/775281249.db2.gz OPHUMELQGKGSJE-WPRPVWTQSA-N 1 2 298.343 -1.190 20 0 CAADLO O=C(CCn1cc[nH]c(=O)c1=O)NC1C[NH+](CCCO)C1 ZINC001267662559 775281602 /nfs/dbraw/zinc/28/16/02/775281602.db2.gz XSXMFOXCGZLMGM-UHFFFAOYSA-N 1 2 296.327 -1.891 20 0 CAADLO CC(C)OCC[NH+]1CC(NC(=O)CN2C(=O)CNC2=O)C1 ZINC001267668649 775282164 /nfs/dbraw/zinc/28/21/64/775282164.db2.gz RMQXGOHWTBPWCT-UHFFFAOYSA-N 1 2 298.343 -1.236 20 0 CAADLO CC[C@H](C)NC(=O)C[NH+]1CC(CNC(=O)CC(N)=O)C1 ZINC001267678695 775282835 /nfs/dbraw/zinc/28/28/35/775282835.db2.gz SQTJNHVVGFBZCW-VIFPVBQESA-N 1 2 284.360 -1.176 20 0 CAADLO CO[C@@H](C(=O)NCC1C[NH+](CC(N)=O)C1)C1CC1 ZINC001267680770 775282850 /nfs/dbraw/zinc/28/28/50/775282850.db2.gz WSESKBQJFRRQEC-LLVKDONJSA-N 1 2 255.318 -1.055 20 0 CAADLO CO[C@H](C)C(=O)NCC1C[NH+]([C@H]2CCNC2=O)C1 ZINC001267673821 775283198 /nfs/dbraw/zinc/28/31/98/775283198.db2.gz HOAAFHGZYWYIIS-SCZZXKLOSA-N 1 2 255.318 -1.042 20 0 CAADLO C[C@@H](O)C[NH+]1CC(CNC(=O)CS(C)(=O)=O)C1 ZINC001267676478 775283267 /nfs/dbraw/zinc/28/32/67/775283267.db2.gz KXHIQYYJNIBNKJ-MRVPVSSYSA-N 1 2 264.347 -1.540 20 0 CAADLO C[C@H](C(N)=O)[NH+]1CC(CNC(=O)Cn2cccn2)C1 ZINC001267675053 775283423 /nfs/dbraw/zinc/28/34/23/775283423.db2.gz LVCYGZYEYGDPCZ-SECBINFHSA-N 1 2 265.317 -1.195 20 0 CAADLO CO[C@@H](C)C(=O)NCC1C[NH+]([C@H]2CCNC2=O)C1 ZINC001267673824 775283628 /nfs/dbraw/zinc/28/36/28/775283628.db2.gz HOAAFHGZYWYIIS-WPRPVWTQSA-N 1 2 255.318 -1.042 20 0 CAADLO O=C(N[C@@H]1C[N@@H+](CCNC(=O)C2CC2)C[C@@H]1O)C(F)F ZINC001219080956 775283756 /nfs/dbraw/zinc/28/37/56/775283756.db2.gz VIPOKVZBGFVAIM-BDAKNGLRSA-N 1 2 291.298 -1.061 20 0 CAADLO O=C(N[C@@H]1C[N@H+](CCNC(=O)C2CC2)C[C@@H]1O)C(F)F ZINC001219080956 775283768 /nfs/dbraw/zinc/28/37/68/775283768.db2.gz VIPOKVZBGFVAIM-BDAKNGLRSA-N 1 2 291.298 -1.061 20 0 CAADLO NC(=O)C(=O)NCC1C[NH+](CC(=O)NC[C@H]2CCOC2)C1 ZINC001267691924 775285067 /nfs/dbraw/zinc/28/50/67/775285067.db2.gz WWNFSMOQZOERGK-SECBINFHSA-N 1 2 298.343 -2.328 20 0 CAADLO CNC(=O)NC(=O)[C@H](C)[NH+]1CC(CNC(=O)C(N)=O)C1 ZINC001267691619 775285154 /nfs/dbraw/zinc/28/51/54/775285154.db2.gz RWTRCUIPRDKSCJ-LURJTMIESA-N 1 2 285.304 -2.636 20 0 CAADLO NC(=O)CN1CC(CNC(=O)CCn2cc[nH+]c2)C1 ZINC001267685342 775285650 /nfs/dbraw/zinc/28/56/50/775285650.db2.gz AOQBPOHGAPZMAS-UHFFFAOYSA-N 1 2 265.317 -1.194 20 0 CAADLO O=C(C[C@@H]1NC(=O)NC1=O)NCC1C[NH+](CCF)C1 ZINC001267684167 775285949 /nfs/dbraw/zinc/28/59/49/775285949.db2.gz XBUUESQPPWJOGU-QMMMGPOBSA-N 1 2 272.280 -1.398 20 0 CAADLO NC(=O)[C@]1(O)CC[N@H+](CC(=O)NCC(F)(F)F)C1 ZINC000310987122 775286947 /nfs/dbraw/zinc/28/69/47/775286947.db2.gz HBGJYTBNMREGEC-QMMMGPOBSA-N 1 2 269.223 -1.413 20 0 CAADLO NC(=O)[C@]1(O)CC[N@@H+](CC(=O)NCC(F)(F)F)C1 ZINC000310987122 775286953 /nfs/dbraw/zinc/28/69/53/775286953.db2.gz HBGJYTBNMREGEC-QMMMGPOBSA-N 1 2 269.223 -1.413 20 0 CAADLO NC(=O)C[NH+]1CC(CNC(=O)Cn2cncn2)C1 ZINC001267698779 775287371 /nfs/dbraw/zinc/28/73/71/775287371.db2.gz OKNXQTJMJCFCLY-UHFFFAOYSA-N 1 2 252.278 -2.189 20 0 CAADLO NC(=O)[C@@]1(O)CC[N@H+](CC(=O)NCC(F)(F)F)C1 ZINC000310987120 775287551 /nfs/dbraw/zinc/28/75/51/775287551.db2.gz HBGJYTBNMREGEC-MRVPVSSYSA-N 1 2 269.223 -1.413 20 0 CAADLO NC(=O)[C@@]1(O)CC[N@@H+](CC(=O)NCC(F)(F)F)C1 ZINC000310987120 775287555 /nfs/dbraw/zinc/28/75/55/775287555.db2.gz HBGJYTBNMREGEC-MRVPVSSYSA-N 1 2 269.223 -1.413 20 0 CAADLO NC(=O)CCCCC(=O)NCC1C[NH+](CC(N)=O)C1 ZINC001267695612 775287739 /nfs/dbraw/zinc/28/77/39/775287739.db2.gz BHBIMTMYZHFRMF-UHFFFAOYSA-N 1 2 270.333 -1.435 20 0 CAADLO NC(=O)[C@]1(O)CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC000310910869 775288555 /nfs/dbraw/zinc/28/85/55/775288555.db2.gz PBLOLCSXTUWVEU-NSHDSACASA-N 1 2 252.274 -1.278 20 0 CAADLO CC(C)(C(N)=O)C(=O)N[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001267725265 775291507 /nfs/dbraw/zinc/29/15/07/775291507.db2.gz KXLCXVWYNGYLNF-ZETCQYMHSA-N 1 2 256.306 -1.826 20 0 CAADLO CC(C)(C(N)=O)C(=O)N[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001267725265 775291505 /nfs/dbraw/zinc/29/15/05/775291505.db2.gz KXLCXVWYNGYLNF-ZETCQYMHSA-N 1 2 256.306 -1.826 20 0 CAADLO Cn1nncc1C[N@@H+]1CC[C@@H](NC(=O)CC(N)=O)C1 ZINC001267738008 775293515 /nfs/dbraw/zinc/29/35/15/775293515.db2.gz LXAUHZCNZXQVDJ-MRVPVSSYSA-N 1 2 266.305 -1.619 20 0 CAADLO Cn1nncc1C[N@H+]1CC[C@@H](NC(=O)CC(N)=O)C1 ZINC001267738008 775293518 /nfs/dbraw/zinc/29/35/18/775293518.db2.gz LXAUHZCNZXQVDJ-MRVPVSSYSA-N 1 2 266.305 -1.619 20 0 CAADLO Cn1[nH]c(C[NH2+]CCNC(=O)C[C@](C)(O)C2CC2)nc1=O ZINC001125866683 775293564 /nfs/dbraw/zinc/29/35/64/775293564.db2.gz XQVJDOBSQHEPAO-ZDUSSCGKSA-N 1 2 297.359 -1.135 20 0 CAADLO NC(=O)CN1C[C@H]2OCCN(C(=O)Cn3cc[nH+]c3)[C@H]2C1 ZINC001083291149 775294894 /nfs/dbraw/zinc/29/48/94/775294894.db2.gz RQLXKJROZPSBOD-WDEREUQCSA-N 1 2 293.327 -1.720 20 0 CAADLO C[C@H](NC(N)=O)C(=O)N[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001267740672 775296719 /nfs/dbraw/zinc/29/67/19/775296719.db2.gz PHYREAGEJZFFPP-NKWVEPMBSA-N 1 2 257.294 -2.281 20 0 CAADLO C[C@H](NC(N)=O)C(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001267740672 775296726 /nfs/dbraw/zinc/29/67/26/775296726.db2.gz PHYREAGEJZFFPP-NKWVEPMBSA-N 1 2 257.294 -2.281 20 0 CAADLO CC(C)(C(N)=O)C(=O)N[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001267744253 775297648 /nfs/dbraw/zinc/29/76/48/775297648.db2.gz KXLCXVWYNGYLNF-SSDOTTSWSA-N 1 2 256.306 -1.826 20 0 CAADLO CC(C)(C(N)=O)C(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001267744253 775297654 /nfs/dbraw/zinc/29/76/54/775297654.db2.gz KXLCXVWYNGYLNF-SSDOTTSWSA-N 1 2 256.306 -1.826 20 0 CAADLO [NH3+][C@@H](Cc1nn[nH]n1)C(=O)NCCc1nncs1 ZINC001221013076 775299717 /nfs/dbraw/zinc/29/97/17/775299717.db2.gz JEOQVRQSJXOOJS-YFKPBYRVSA-N 1 2 268.306 -1.720 20 0 CAADLO CNC(=O)CCCCC(=O)N[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001267753621 775300150 /nfs/dbraw/zinc/30/01/50/775300150.db2.gz JFJHXYZGBSQHDT-SNVBAGLBSA-N 1 2 284.360 -1.031 20 0 CAADLO CNC(=O)CCCCC(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001267753621 775300160 /nfs/dbraw/zinc/30/01/60/775300160.db2.gz JFJHXYZGBSQHDT-SNVBAGLBSA-N 1 2 284.360 -1.031 20 0 CAADLO CCC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCOCC2)C[C@@H]1O ZINC001083294477 775300606 /nfs/dbraw/zinc/30/06/06/775300606.db2.gz COZQWDWLNFNAJI-MNOVXSKESA-N 1 2 285.344 -1.584 20 0 CAADLO CCC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCOCC2)C[C@@H]1O ZINC001083294477 775300622 /nfs/dbraw/zinc/30/06/22/775300622.db2.gz COZQWDWLNFNAJI-MNOVXSKESA-N 1 2 285.344 -1.584 20 0 CAADLO CCC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@@H]1O ZINC001083294763 775300723 /nfs/dbraw/zinc/30/07/23/775300723.db2.gz SFESFQUQNGTDHM-ZJUUUORDSA-N 1 2 255.318 -1.210 20 0 CAADLO CCC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@@H]1O ZINC001083294763 775300736 /nfs/dbraw/zinc/30/07/36/775300736.db2.gz SFESFQUQNGTDHM-ZJUUUORDSA-N 1 2 255.318 -1.210 20 0 CAADLO NC(=O)C(=O)N1CC[NH+](CCCNC(=O)C(F)F)CC1 ZINC001283813912 775302089 /nfs/dbraw/zinc/30/20/89/775302089.db2.gz RNYAKKBRMWNETH-UHFFFAOYSA-N 1 2 292.286 -1.613 20 0 CAADLO CCCNC(=O)[C@H](C)[N@@H+]1CC[C@H](N(C)C(=O)C(N)=O)C1 ZINC001267769024 775302189 /nfs/dbraw/zinc/30/21/89/775302189.db2.gz AAKXEAXVFHEOPR-UWVGGRQHSA-N 1 2 284.360 -1.081 20 0 CAADLO CCCNC(=O)[C@H](C)[N@H+]1CC[C@H](N(C)C(=O)C(N)=O)C1 ZINC001267769024 775302200 /nfs/dbraw/zinc/30/22/00/775302200.db2.gz AAKXEAXVFHEOPR-UWVGGRQHSA-N 1 2 284.360 -1.081 20 0 CAADLO CC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCOCC2)C[C@@H]1O ZINC001083295711 775303844 /nfs/dbraw/zinc/30/38/44/775303844.db2.gz KFERAUJDBLHTSS-MNOVXSKESA-N 1 2 271.317 -1.974 20 0 CAADLO CC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCOCC2)C[C@@H]1O ZINC001083295711 775303857 /nfs/dbraw/zinc/30/38/57/775303857.db2.gz KFERAUJDBLHTSS-MNOVXSKESA-N 1 2 271.317 -1.974 20 0 CAADLO CC(=O)N[C@@H]1C[N@H+](C[C@H]2CCCS(=O)(=O)C2)C[C@@H]1O ZINC001083296253 775305606 /nfs/dbraw/zinc/30/56/06/775305606.db2.gz HNRKWUOPBXHCOP-UTUOFQBUSA-N 1 2 290.385 -1.008 20 0 CAADLO CC(=O)N[C@@H]1C[N@@H+](C[C@H]2CCCS(=O)(=O)C2)C[C@@H]1O ZINC001083296253 775305617 /nfs/dbraw/zinc/30/56/17/775305617.db2.gz HNRKWUOPBXHCOP-UTUOFQBUSA-N 1 2 290.385 -1.008 20 0 CAADLO CC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCC(=O)NC2=O)C[C@@H]1O ZINC001083296380 775305921 /nfs/dbraw/zinc/30/59/21/775305921.db2.gz MWRXVSRPWBGRKK-HLTSFMKQSA-N 1 2 255.274 -2.027 20 0 CAADLO CC(=O)N[C@@H]1C[N@H+]([C@@H]2CCC(=O)NC2=O)C[C@@H]1O ZINC001083296380 775305930 /nfs/dbraw/zinc/30/59/30/775305930.db2.gz MWRXVSRPWBGRKK-HLTSFMKQSA-N 1 2 255.274 -2.027 20 0 CAADLO CC(=O)N[C@@H]1C[N@H+](C[C@@H]2CCCS(=O)(=O)C2)C[C@@H]1O ZINC001083296252 775306115 /nfs/dbraw/zinc/30/61/15/775306115.db2.gz HNRKWUOPBXHCOP-TUAOUCFPSA-N 1 2 290.385 -1.008 20 0 CAADLO CC(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCCS(=O)(=O)C2)C[C@@H]1O ZINC001083296252 775306125 /nfs/dbraw/zinc/30/61/25/775306125.db2.gz HNRKWUOPBXHCOP-TUAOUCFPSA-N 1 2 290.385 -1.008 20 0 CAADLO CC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCO[C@@H](C)C2)C[C@@H]1O ZINC001083296207 775306604 /nfs/dbraw/zinc/30/66/04/775306604.db2.gz FVQCYNGDQPHDBM-WCQGTBRESA-N 1 2 285.344 -1.585 20 0 CAADLO CC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCO[C@@H](C)C2)C[C@@H]1O ZINC001083296207 775306614 /nfs/dbraw/zinc/30/66/14/775306614.db2.gz FVQCYNGDQPHDBM-WCQGTBRESA-N 1 2 285.344 -1.585 20 0 CAADLO CC(=O)N[C@@H]1C[N@@H+]([C@H]2CCC(=O)NC2=O)C[C@@H]1O ZINC001083296381 775308406 /nfs/dbraw/zinc/30/84/06/775308406.db2.gz MWRXVSRPWBGRKK-VGMNWLOBSA-N 1 2 255.274 -2.027 20 0 CAADLO CC(=O)N[C@@H]1C[N@H+]([C@H]2CCC(=O)NC2=O)C[C@@H]1O ZINC001083296381 775308417 /nfs/dbraw/zinc/30/84/17/775308417.db2.gz MWRXVSRPWBGRKK-VGMNWLOBSA-N 1 2 255.274 -2.027 20 0 CAADLO CCC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCCNC2=O)C[C@@H]1O ZINC001083297096 775308994 /nfs/dbraw/zinc/30/89/94/775308994.db2.gz UOSSIRRECLBJIL-BBBLOLIVSA-N 1 2 255.318 -1.164 20 0 CAADLO CCC(=O)N[C@@H]1C[N@H+]([C@@H]2CCCNC2=O)C[C@@H]1O ZINC001083297096 775309007 /nfs/dbraw/zinc/30/90/07/775309007.db2.gz UOSSIRRECLBJIL-BBBLOLIVSA-N 1 2 255.318 -1.164 20 0 CAADLO CCC(=O)N[C@@H]1C[N@@H+]([C@H]2CCC(=O)NC2=O)C[C@@H]1O ZINC001083297746 775310801 /nfs/dbraw/zinc/31/08/01/775310801.db2.gz YAFRLFVCLPXNCN-VGMNWLOBSA-N 1 2 269.301 -1.637 20 0 CAADLO CCC(=O)N[C@@H]1C[N@H+]([C@H]2CCC(=O)NC2=O)C[C@@H]1O ZINC001083297746 775310811 /nfs/dbraw/zinc/31/08/11/775310811.db2.gz YAFRLFVCLPXNCN-VGMNWLOBSA-N 1 2 269.301 -1.637 20 0 CAADLO CN(C)C(=O)C[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CCCNC1=O ZINC001038369372 775310997 /nfs/dbraw/zinc/31/09/97/775310997.db2.gz ZACPZNXMNUDZSI-QWRGUYRKSA-N 1 2 296.371 -1.209 20 0 CAADLO CN(C)C(=O)C[N@H+]1CC[C@H]1CNC(=O)[C@H]1CCCNC1=O ZINC001038369372 775311009 /nfs/dbraw/zinc/31/10/09/775311009.db2.gz ZACPZNXMNUDZSI-QWRGUYRKSA-N 1 2 296.371 -1.209 20 0 CAADLO CCC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCO[C@@H](C)C2)C[C@@H]1O ZINC001083297729 775311608 /nfs/dbraw/zinc/31/16/08/775311608.db2.gz XHGRAXNOWPBWNI-TUAOUCFPSA-N 1 2 299.371 -1.195 20 0 CAADLO CCC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCO[C@@H](C)C2)C[C@@H]1O ZINC001083297729 775311619 /nfs/dbraw/zinc/31/16/19/775311619.db2.gz XHGRAXNOWPBWNI-TUAOUCFPSA-N 1 2 299.371 -1.195 20 0 CAADLO CN(C)C(=O)C[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CCCNC1=O ZINC001038369371 775311747 /nfs/dbraw/zinc/31/17/47/775311747.db2.gz ZACPZNXMNUDZSI-MNOVXSKESA-N 1 2 296.371 -1.209 20 0 CAADLO CN(C)C(=O)C[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CCCNC1=O ZINC001038369371 775311758 /nfs/dbraw/zinc/31/17/58/775311758.db2.gz ZACPZNXMNUDZSI-MNOVXSKESA-N 1 2 296.371 -1.209 20 0 CAADLO CCC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCC(=O)NC2=O)C[C@@H]1O ZINC001083297745 775311865 /nfs/dbraw/zinc/31/18/65/775311865.db2.gz YAFRLFVCLPXNCN-HLTSFMKQSA-N 1 2 269.301 -1.637 20 0 CAADLO CCC(=O)N[C@@H]1C[N@H+]([C@@H]2CCC(=O)NC2=O)C[C@@H]1O ZINC001083297745 775311873 /nfs/dbraw/zinc/31/18/73/775311873.db2.gz YAFRLFVCLPXNCN-HLTSFMKQSA-N 1 2 269.301 -1.637 20 0 CAADLO O=C(N[C@@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O)C(F)F ZINC001083298155 775312221 /nfs/dbraw/zinc/31/22/21/775312221.db2.gz QGZOUMMQYVPBQB-SFYZADRCSA-N 1 2 275.259 -1.296 20 0 CAADLO O=C(N[C@@H]1C[N@H+](CCn2cncn2)C[C@@H]1O)C(F)F ZINC001083298155 775312233 /nfs/dbraw/zinc/31/22/33/775312233.db2.gz QGZOUMMQYVPBQB-SFYZADRCSA-N 1 2 275.259 -1.296 20 0 CAADLO CC(=O)N1CC(n2cc(C[NH2+]CC(=O)N(C)C)nn2)C1 ZINC001105127734 775312436 /nfs/dbraw/zinc/31/24/36/775312436.db2.gz DGDGTHGTAFKUMR-UHFFFAOYSA-N 1 2 280.332 -1.141 20 0 CAADLO CNC(=O)C[NH2+]Cc1cn(C2CN(C(=O)COC)C2)nn1 ZINC001105119788 775313370 /nfs/dbraw/zinc/31/33/70/775313370.db2.gz BGCPGRZYMPDEEO-UHFFFAOYSA-N 1 2 296.331 -1.857 20 0 CAADLO CNC(=O)C[NH2+]Cc1cn(C2CN(C(C)=O)C2)nn1 ZINC001105127948 775313943 /nfs/dbraw/zinc/31/39/43/775313943.db2.gz LIJDNRSLAAYCAR-UHFFFAOYSA-N 1 2 266.305 -1.483 20 0 CAADLO CN1CC[C@H]([N@H+]2C[C@@H](NC(=O)C3CC3)[C@@H](O)C2)C1=O ZINC001083299522 775315656 /nfs/dbraw/zinc/31/56/56/775315656.db2.gz CBTIWYHLTUMTFB-VWYCJHECSA-N 1 2 267.329 -1.212 20 0 CAADLO CN1CC[C@H]([N@@H+]2C[C@@H](NC(=O)C3CC3)[C@@H](O)C2)C1=O ZINC001083299522 775315667 /nfs/dbraw/zinc/31/56/67/775315667.db2.gz CBTIWYHLTUMTFB-VWYCJHECSA-N 1 2 267.329 -1.212 20 0 CAADLO COC[C@H](C)OC[C@@H](O)C[NH2+]Cc1nnn(C)n1 ZINC000398055948 775316759 /nfs/dbraw/zinc/31/67/59/775316759.db2.gz YPNLYNQWMISTFZ-IUCAKERBSA-N 1 2 259.310 -1.288 20 0 CAADLO CN(C)C(=O)C[N@H+]1C[C@@H](NC(=O)C2CC2)[C@@H](O)C1 ZINC001083300586 775317509 /nfs/dbraw/zinc/31/75/09/775317509.db2.gz WTDVPNSLHCWORT-ZJUUUORDSA-N 1 2 255.318 -1.354 20 0 CAADLO CN(C)C(=O)C[N@@H+]1C[C@@H](NC(=O)C2CC2)[C@@H](O)C1 ZINC001083300586 775317514 /nfs/dbraw/zinc/31/75/14/775317514.db2.gz WTDVPNSLHCWORT-ZJUUUORDSA-N 1 2 255.318 -1.354 20 0 CAADLO Cc1cnc(C[NH2+]CCN(CCO)C(=O)C(N)=O)nc1 ZINC001279810142 775317780 /nfs/dbraw/zinc/31/77/80/775317780.db2.gz OLZGNDWWHUUCSV-UHFFFAOYSA-N 1 2 281.316 -1.819 20 0 CAADLO Cn1nnc(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)n1 ZINC000398078964 775317964 /nfs/dbraw/zinc/31/79/64/775317964.db2.gz LRQVFPOKLYNOQQ-QMMMGPOBSA-N 1 2 282.264 -1.535 20 0 CAADLO O=C(N[C@@H]1C[N@H+]([C@@H]2CCCNC2=O)C[C@@H]1O)C1CC1 ZINC001083300657 775318483 /nfs/dbraw/zinc/31/84/83/775318483.db2.gz AKSKJKUBQARLIX-MXWKQRLJSA-N 1 2 267.329 -1.164 20 0 CAADLO O=C(N[C@@H]1C[N@@H+]([C@@H]2CCCNC2=O)C[C@@H]1O)C1CC1 ZINC001083300657 775318494 /nfs/dbraw/zinc/31/84/94/775318494.db2.gz AKSKJKUBQARLIX-MXWKQRLJSA-N 1 2 267.329 -1.164 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)C2CCC2)[C@@H](O)C1 ZINC001083301806 775319973 /nfs/dbraw/zinc/31/99/73/775319973.db2.gz BIWXADMOSOTTAT-QNSHHTMESA-N 1 2 255.318 -1.178 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)C2CCC2)[C@@H](O)C1 ZINC001083301806 775319984 /nfs/dbraw/zinc/31/99/84/775319984.db2.gz BIWXADMOSOTTAT-QNSHHTMESA-N 1 2 255.318 -1.178 20 0 CAADLO NC(=O)C[NH2+]Cc1cn(C2CN(C(=O)CCCF)C2)nn1 ZINC001105305862 775320008 /nfs/dbraw/zinc/32/00/08/775320008.db2.gz RMLPTIWVWDCXOF-UHFFFAOYSA-N 1 2 298.322 -1.014 20 0 CAADLO O=C(N[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@@H]1O)C1CCC1 ZINC001083302766 775320502 /nfs/dbraw/zinc/32/05/02/775320502.db2.gz VDSGUDFFPIGDHI-VWYCJHECSA-N 1 2 267.329 -1.164 20 0 CAADLO O=C(N[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@@H]1O)C1CCC1 ZINC001083302766 775320513 /nfs/dbraw/zinc/32/05/13/775320513.db2.gz VDSGUDFFPIGDHI-VWYCJHECSA-N 1 2 267.329 -1.164 20 0 CAADLO NC(=O)C(=O)N1CC(n2cc(C[NH2+]C/C=C/Cl)nn2)C1 ZINC001105315269 775320560 /nfs/dbraw/zinc/32/05/60/775320560.db2.gz DOFSLQRJUCPUQY-OWOJBTEDSA-N 1 2 298.734 -1.011 20 0 CAADLO CC[C@H](F)C(=O)N1CC(n2cc(C[NH2+]CC(N)=O)nn2)C1 ZINC001105299129 775320668 /nfs/dbraw/zinc/32/06/68/775320668.db2.gz FOODWTDIMLFYOW-JTQLQIEISA-N 1 2 298.322 -1.016 20 0 CAADLO CN1CCOC[C@@H]1C(=O)NCC[NH2+]Cc1cnon1 ZINC001125944461 775320961 /nfs/dbraw/zinc/32/09/61/775320961.db2.gz CENIVJWYSKCFCU-SNVBAGLBSA-N 1 2 269.305 -1.394 20 0 CAADLO CC[C@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)C2CC2)[C@@H](O)C1 ZINC001083301676 775321416 /nfs/dbraw/zinc/32/14/16/775321416.db2.gz VPVZLGGMDXLRTR-BBBLOLIVSA-N 1 2 255.318 -1.178 20 0 CAADLO CC[C@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)C2CC2)[C@@H](O)C1 ZINC001083301676 775321422 /nfs/dbraw/zinc/32/14/22/775321422.db2.gz VPVZLGGMDXLRTR-BBBLOLIVSA-N 1 2 255.318 -1.178 20 0 CAADLO CC[C@@H](F)C[NH2+]Cc1cn(C2CN(C(=O)C(N)=O)C2)nn1 ZINC001105315436 775321499 /nfs/dbraw/zinc/32/14/99/775321499.db2.gz NVWYQGVZBYIOJA-MRVPVSSYSA-N 1 2 298.322 -1.016 20 0 CAADLO CNC(=O)C[NH2+]Cc1cn(C2CN(C(=O)C(N)=O)C2)nn1 ZINC001105315203 775321514 /nfs/dbraw/zinc/32/15/14/775321514.db2.gz BDFQFXOCDYNZSH-UHFFFAOYSA-N 1 2 295.303 -3.018 20 0 CAADLO O=C(N[C@@H]1C[N@H+]([C@@H]2CCC(=O)NC2=O)C[C@@H]1O)C1CCC1 ZINC001083302822 775321537 /nfs/dbraw/zinc/32/15/37/775321537.db2.gz XHIDWJNREBZTFZ-MXWKQRLJSA-N 1 2 295.339 -1.247 20 0 CAADLO O=C(N[C@@H]1C[N@@H+]([C@@H]2CCC(=O)NC2=O)C[C@@H]1O)C1CCC1 ZINC001083302822 775321543 /nfs/dbraw/zinc/32/15/43/775321543.db2.gz XHIDWJNREBZTFZ-MXWKQRLJSA-N 1 2 295.339 -1.247 20 0 CAADLO O=C(N[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@@H]1O)C1CCOCC1 ZINC001083303722 775323880 /nfs/dbraw/zinc/32/38/80/775323880.db2.gz NXASFDBLVSWCDE-WOPDTQHZSA-N 1 2 297.355 -1.537 20 0 CAADLO O=C(N[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@@H]1O)C1CCOCC1 ZINC001083303722 775323890 /nfs/dbraw/zinc/32/38/90/775323890.db2.gz NXASFDBLVSWCDE-WOPDTQHZSA-N 1 2 297.355 -1.537 20 0 CAADLO CC[C@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)C2CCOCC2)[C@@H](O)C1 ZINC001083303679 775324431 /nfs/dbraw/zinc/32/44/31/775324431.db2.gz LWIUGDRJFBAONU-UTUOFQBUSA-N 1 2 299.371 -1.162 20 0 CAADLO CC[C@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)C2CCOCC2)[C@@H](O)C1 ZINC001083303679 775324439 /nfs/dbraw/zinc/32/44/39/775324439.db2.gz LWIUGDRJFBAONU-UTUOFQBUSA-N 1 2 299.371 -1.162 20 0 CAADLO Cn1cc(C(=O)N[C@H]2C[N@H+](CC(N)=O)CC2(C)C)nn1 ZINC000974568211 775325486 /nfs/dbraw/zinc/32/54/86/775325486.db2.gz MMQONVCJBOBTCP-VIFPVBQESA-N 1 2 280.332 -1.259 20 0 CAADLO Cn1cc(C(=O)N[C@H]2C[N@@H+](CC(N)=O)CC2(C)C)nn1 ZINC000974568211 775325495 /nfs/dbraw/zinc/32/54/95/775325495.db2.gz MMQONVCJBOBTCP-VIFPVBQESA-N 1 2 280.332 -1.259 20 0 CAADLO Cn1cnc(C(=O)N[C@@H]2C[N@H+](CC(N)=O)CC2(C)C)n1 ZINC000974561525 775325573 /nfs/dbraw/zinc/32/55/73/775325573.db2.gz PCBIPRLVYMYCSY-MRVPVSSYSA-N 1 2 280.332 -1.259 20 0 CAADLO Cn1cnc(C(=O)N[C@@H]2C[N@@H+](CC(N)=O)CC2(C)C)n1 ZINC000974561525 775325583 /nfs/dbraw/zinc/32/55/83/775325583.db2.gz PCBIPRLVYMYCSY-MRVPVSSYSA-N 1 2 280.332 -1.259 20 0 CAADLO Cn1cc(C(=O)N[C@@H]2C[N@H+](CC(N)=O)CC2(C)C)nn1 ZINC000974568209 775325596 /nfs/dbraw/zinc/32/55/96/775325596.db2.gz MMQONVCJBOBTCP-SECBINFHSA-N 1 2 280.332 -1.259 20 0 CAADLO Cn1cc(C(=O)N[C@@H]2C[N@@H+](CC(N)=O)CC2(C)C)nn1 ZINC000974568209 775325607 /nfs/dbraw/zinc/32/56/07/775325607.db2.gz MMQONVCJBOBTCP-SECBINFHSA-N 1 2 280.332 -1.259 20 0 CAADLO Cn1[nH]c(C[NH2+]CCNC(=O)[C@H]2COCCN2C)nc1=O ZINC001125955968 775329040 /nfs/dbraw/zinc/32/90/40/775329040.db2.gz FCFCCSUKOUTCJC-SECBINFHSA-N 1 2 298.347 -2.355 20 0 CAADLO Cc1nnc(C[NH2+]CCNC(=O)[C@@H]2COCCN2C)o1 ZINC001125960669 775329437 /nfs/dbraw/zinc/32/94/37/775329437.db2.gz NJMODHARQGPTQG-JTQLQIEISA-N 1 2 283.332 -1.086 20 0 CAADLO CCNC(=O)CC(=O)NCC[NH2+]Cc1nc(N(C)C)no1 ZINC001126002971 775337808 /nfs/dbraw/zinc/33/78/08/775337808.db2.gz RKTMKMSLOISMSG-UHFFFAOYSA-N 1 2 298.347 -1.132 20 0 CAADLO Cc1noc(C[NH2+]CCNC(=O)CN2CN=NC2=O)n1 ZINC001126021277 775339295 /nfs/dbraw/zinc/33/92/95/775339295.db2.gz JJZNINQGXMWPKZ-UHFFFAOYSA-N 1 2 281.276 -1.419 20 0 CAADLO Cc1nonc1C[NH2+]CCNC(=O)CN1CN=NC1=O ZINC001126021254 775340704 /nfs/dbraw/zinc/34/07/04/775340704.db2.gz IYQIYJLGPLYVFW-UHFFFAOYSA-N 1 2 281.276 -1.419 20 0 CAADLO O=C(CN1CN=NC1=O)NCC[NH2+]Cc1nncs1 ZINC001126027325 775342791 /nfs/dbraw/zinc/34/27/91/775342791.db2.gz OZMSSYMAJCVRIG-UHFFFAOYSA-N 1 2 283.317 -1.259 20 0 CAADLO COc1cc(C(=O)NCC[NH2+]Cc2nc(=O)n(C)[nH]2)on1 ZINC001126033776 775344721 /nfs/dbraw/zinc/34/47/21/775344721.db2.gz WNDZJETUWYZIQN-UHFFFAOYSA-N 1 2 296.287 -1.375 20 0 CAADLO CCc1nnc(C[NH2+]CCNC(=O)CN2CN=NC2=O)o1 ZINC001126028146 775344975 /nfs/dbraw/zinc/34/49/75/775344975.db2.gz YXRFHIKDCQWEHG-UHFFFAOYSA-N 1 2 295.303 -1.165 20 0 CAADLO Cn1ncc(C(=O)NCC[NH2+]Cc2nc(=O)n(C)[nH]2)c1N ZINC001126087333 775346578 /nfs/dbraw/zinc/34/65/78/775346578.db2.gz YGHURKLTZLOVSV-UHFFFAOYSA-N 1 2 294.319 -2.056 20 0 CAADLO Cn1[nH]c(C[NH2+]CCNC(=O)c2cncnc2)nc1=O ZINC001126093327 775347424 /nfs/dbraw/zinc/34/74/24/775347424.db2.gz BYKDSWOGWCEISV-UHFFFAOYSA-N 1 2 277.288 -1.582 20 0 CAADLO O=C(CC1CC1)N[C@@H]1C[N@H+]([C@H]2CCC(=O)NC2=O)C[C@@H]1O ZINC001083307400 775350772 /nfs/dbraw/zinc/35/07/72/775350772.db2.gz CJTDNVWBFBPFEZ-VWYCJHECSA-N 1 2 295.339 -1.247 20 0 CAADLO O=C(CC1CC1)N[C@@H]1C[N@@H+]([C@H]2CCC(=O)NC2=O)C[C@@H]1O ZINC001083307400 775350782 /nfs/dbraw/zinc/35/07/82/775350782.db2.gz CJTDNVWBFBPFEZ-VWYCJHECSA-N 1 2 295.339 -1.247 20 0 CAADLO NC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3COCCO3)[C@@H]2C1 ZINC001075568362 775351205 /nfs/dbraw/zinc/35/12/05/775351205.db2.gz YNFAIEPBZPFICK-AXFHLTTASA-N 1 2 283.328 -1.580 20 0 CAADLO NC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3COCCO3)[C@@H]2C1 ZINC001075568362 775351217 /nfs/dbraw/zinc/35/12/17/775351217.db2.gz YNFAIEPBZPFICK-AXFHLTTASA-N 1 2 283.328 -1.580 20 0 CAADLO CNC(=O)CC(=O)NCC[NH2+]Cc1nc(COC)no1 ZINC001126161959 775353233 /nfs/dbraw/zinc/35/32/33/775353233.db2.gz VSLSXXHIRDRIOO-UHFFFAOYSA-N 1 2 285.304 -1.442 20 0 CAADLO CNC(=O)CC(=O)NCC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001126161494 775353259 /nfs/dbraw/zinc/35/32/59/775353259.db2.gz NXVBMWWDAHHCIE-UHFFFAOYSA-N 1 2 270.293 -2.550 20 0 CAADLO CNC(=O)CC(=O)NCC[NH2+]Cc1cnsn1 ZINC001126161293 775353973 /nfs/dbraw/zinc/35/39/73/775353973.db2.gz GTVCAZZQUUZDCZ-UHFFFAOYSA-N 1 2 257.319 -1.120 20 0 CAADLO CNC(=O)CC(=O)NCC[NH2+]Cc1nonc1C ZINC001126161546 775354304 /nfs/dbraw/zinc/35/43/04/775354304.db2.gz PJVZAIUYQFIKAJ-UHFFFAOYSA-N 1 2 255.278 -1.280 20 0 CAADLO Cc1nc(C(=O)NCC[NH2+]Cc2nc(=O)n(C)[nH]2)co1 ZINC001126161493 775354952 /nfs/dbraw/zinc/35/49/52/775354952.db2.gz NXQQNRAUEWAHQH-UHFFFAOYSA-N 1 2 280.288 -1.076 20 0 CAADLO CNC(=O)CC(=O)NCC[NH2+]Cc1nc(C)no1 ZINC001126161456 775355012 /nfs/dbraw/zinc/35/50/12/775355012.db2.gz MNTDHCHNRJRVEA-UHFFFAOYSA-N 1 2 255.278 -1.280 20 0 CAADLO CNC(=O)CC(=O)NCC[NH2+]Cc1nncs1 ZINC001126170356 775356609 /nfs/dbraw/zinc/35/66/09/775356609.db2.gz YNOCXKGHXCZLOC-UHFFFAOYSA-N 1 2 257.319 -1.120 20 0 CAADLO CNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)c2ccncc2)[C@@H](O)C1 ZINC001083310000 775357417 /nfs/dbraw/zinc/35/74/17/775357417.db2.gz YEAQQNBNOMZZAC-WCQGTBRESA-N 1 2 292.339 -1.009 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2ccncc2)[C@@H](O)C1 ZINC001083310000 775357426 /nfs/dbraw/zinc/35/74/26/775357426.db2.gz YEAQQNBNOMZZAC-WCQGTBRESA-N 1 2 292.339 -1.009 20 0 CAADLO CCn1nccc1C(=O)NCC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001126184804 775357595 /nfs/dbraw/zinc/35/75/95/775357595.db2.gz PNDCPUIXSMQVCJ-UHFFFAOYSA-N 1 2 293.331 -1.156 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)c2ccncc2)[C@@H](O)C1 ZINC001083309999 775357803 /nfs/dbraw/zinc/35/78/03/775357803.db2.gz YEAQQNBNOMZZAC-JLLWLGSASA-N 1 2 292.339 -1.009 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2ccncc2)[C@@H](O)C1 ZINC001083309999 775357804 /nfs/dbraw/zinc/35/78/04/775357804.db2.gz YEAQQNBNOMZZAC-JLLWLGSASA-N 1 2 292.339 -1.009 20 0 CAADLO C[C@H](NC(N)=O)C(=O)NCC[NH2+]Cc1cnon1 ZINC001126194348 775358256 /nfs/dbraw/zinc/35/82/56/775358256.db2.gz HNLGHOBKYBBFET-LURJTMIESA-N 1 2 256.266 -1.668 20 0 CAADLO CCc1noc(C[NH2+]CCNC(=O)[C@H](C)NC(N)=O)n1 ZINC001126195188 775358587 /nfs/dbraw/zinc/35/85/87/775358587.db2.gz PPLBTCUEJCIBMX-ZETCQYMHSA-N 1 2 284.320 -1.105 20 0 CAADLO Cc1noc(C[NH2+]CCNC(=O)[C@H](C)NC(N)=O)n1 ZINC001126199836 775360450 /nfs/dbraw/zinc/36/04/50/775360450.db2.gz YKQQPSNEFROEFS-LURJTMIESA-N 1 2 270.293 -1.359 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1COCCO1 ZINC001027766744 775363418 /nfs/dbraw/zinc/36/34/18/775363418.db2.gz VCWNEGJVUDDBAO-ZJUUUORDSA-N 1 2 271.317 -1.532 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1COCCO1 ZINC001027766744 775363428 /nfs/dbraw/zinc/36/34/28/775363428.db2.gz VCWNEGJVUDDBAO-ZJUUUORDSA-N 1 2 271.317 -1.532 20 0 CAADLO O=C(CCn1ccnn1)NCC[NH2+]Cc1cnon1 ZINC001126281913 775370522 /nfs/dbraw/zinc/37/05/22/775370522.db2.gz VEIGLNVASYBGOZ-UHFFFAOYSA-N 1 2 265.277 -1.043 20 0 CAADLO C[C@@H](C[NH2+]Cc1nncs1)N(C)C(=O)C(N)=O ZINC001268081086 775374168 /nfs/dbraw/zinc/37/41/68/775374168.db2.gz PKOBMRMCDCWGKB-LURJTMIESA-N 1 2 257.319 -1.040 20 0 CAADLO C[C@H](C[NH2+]Cc1nncs1)N(C)C(=O)C(N)=O ZINC001268081087 775375261 /nfs/dbraw/zinc/37/52/61/775375261.db2.gz PKOBMRMCDCWGKB-ZCFIWIBFSA-N 1 2 257.319 -1.040 20 0 CAADLO C[C@H](O)C[N@@H+]1C[C@@H]2CCN(C(=O)CS(C)(=O)=O)[C@@H]2C1 ZINC001075596374 775377728 /nfs/dbraw/zinc/37/77/28/775377728.db2.gz YWVMHKJGYHENEE-GARJFASQSA-N 1 2 290.385 -1.056 20 0 CAADLO C[C@H](O)C[N@H+]1C[C@@H]2CCN(C(=O)CS(C)(=O)=O)[C@@H]2C1 ZINC001075596374 775377735 /nfs/dbraw/zinc/37/77/35/775377735.db2.gz YWVMHKJGYHENEE-GARJFASQSA-N 1 2 290.385 -1.056 20 0 CAADLO CCn1ncc(C(=O)N(C)CC[N@H+](C)CC(N)=O)n1 ZINC001268235839 775386048 /nfs/dbraw/zinc/38/60/48/775386048.db2.gz PFHPUDSJBQWXRZ-UHFFFAOYSA-N 1 2 268.321 -1.213 20 0 CAADLO CCn1ncc(C(=O)N(C)CC[N@@H+](C)CC(N)=O)n1 ZINC001268235839 775386057 /nfs/dbraw/zinc/38/60/57/775386057.db2.gz PFHPUDSJBQWXRZ-UHFFFAOYSA-N 1 2 268.321 -1.213 20 0 CAADLO CCC(=O)NCC(=O)N(C)CC[N@H+](C)CC(N)=O ZINC001268231741 775386423 /nfs/dbraw/zinc/38/64/23/775386423.db2.gz FERMRBCZUREILD-UHFFFAOYSA-N 1 2 258.322 -1.612 20 0 CAADLO CCC(=O)NCC(=O)N(C)CC[N@@H+](C)CC(N)=O ZINC001268231741 775386434 /nfs/dbraw/zinc/38/64/34/775386434.db2.gz FERMRBCZUREILD-UHFFFAOYSA-N 1 2 258.322 -1.612 20 0 CAADLO C[C@H](C[N@H+](C)CCN(C)C(=O)C(N)=O)CS(C)(=O)=O ZINC001268247577 775389548 /nfs/dbraw/zinc/38/95/48/775389548.db2.gz QPKXQLYOQTWNEO-SECBINFHSA-N 1 2 293.389 -1.457 20 0 CAADLO C[C@H](C[N@@H+](C)CCN(C)C(=O)C(N)=O)CS(C)(=O)=O ZINC001268247577 775389554 /nfs/dbraw/zinc/38/95/54/775389554.db2.gz QPKXQLYOQTWNEO-SECBINFHSA-N 1 2 293.389 -1.457 20 0 CAADLO CC(=O)NCCOCC[NH+]1CC(NC(=O)[C@@H]2CCOC2)C1 ZINC001268257263 775387955 /nfs/dbraw/zinc/38/79/55/775387955.db2.gz LFMVNDKTUKANRB-GFCCVEGCSA-N 1 2 299.371 -1.024 20 0 CAADLO CN(CC[N@H+](C)CC(N)=O)C(=O)c1cn(C)c(=O)[nH]1 ZINC001268246678 775388169 /nfs/dbraw/zinc/38/81/69/775388169.db2.gz ACTVOHRONYWROF-UHFFFAOYSA-N 1 2 269.305 -1.385 20 0 CAADLO CN(CC[N@@H+](C)CC(N)=O)C(=O)c1cn(C)c(=O)[nH]1 ZINC001268246678 775388179 /nfs/dbraw/zinc/38/81/79/775388179.db2.gz ACTVOHRONYWROF-UHFFFAOYSA-N 1 2 269.305 -1.385 20 0 CAADLO CCS(=O)(=O)CCC[N@@H+](C)CCN(C)C(=O)C(N)=O ZINC001268248020 775388542 /nfs/dbraw/zinc/38/85/42/775388542.db2.gz ZMUNSGXKJYEHAV-UHFFFAOYSA-N 1 2 293.389 -1.313 20 0 CAADLO CN(CC[N@H+](C)CCNS(C)(=O)=O)C(=O)C(N)=O ZINC001268248013 775388364 /nfs/dbraw/zinc/38/83/64/775388364.db2.gz ZILKVWWAHRTJJO-UHFFFAOYSA-N 1 2 280.350 -2.589 20 0 CAADLO CN(CC[N@@H+](C)CCNS(C)(=O)=O)C(=O)C(N)=O ZINC001268248013 775388371 /nfs/dbraw/zinc/38/83/71/775388371.db2.gz ZILKVWWAHRTJJO-UHFFFAOYSA-N 1 2 280.350 -2.589 20 0 CAADLO CCS(=O)(=O)CCC[N@H+](C)CCN(C)C(=O)C(N)=O ZINC001268248020 775388533 /nfs/dbraw/zinc/38/85/33/775388533.db2.gz ZMUNSGXKJYEHAV-UHFFFAOYSA-N 1 2 293.389 -1.313 20 0 CAADLO CC(=O)NCCOCC[NH+]1CC(NC(=O)[C@H]2CCOC2)C1 ZINC001268257264 775388747 /nfs/dbraw/zinc/38/87/47/775388747.db2.gz LFMVNDKTUKANRB-LBPRGKRZSA-N 1 2 299.371 -1.024 20 0 CAADLO CN(CC[N@H+](C)CC(N)=O)C(=O)CN1C(=O)CNC1=O ZINC001268257706 775389162 /nfs/dbraw/zinc/38/91/62/775389162.db2.gz ZOEAJMSLKVYWPG-UHFFFAOYSA-N 1 2 285.304 -2.586 20 0 CAADLO CN(CC[N@@H+](C)CC(N)=O)C(=O)CN1C(=O)CNC1=O ZINC001268257706 775389169 /nfs/dbraw/zinc/38/91/69/775389169.db2.gz ZOEAJMSLKVYWPG-UHFFFAOYSA-N 1 2 285.304 -2.586 20 0 CAADLO CNC(=O)C[N@H+](C)CCN(C)C(=O)[C@@H]1CCNC1=O ZINC001268245535 775389186 /nfs/dbraw/zinc/38/91/86/775389186.db2.gz PTTAEDBRGATYGD-SECBINFHSA-N 1 2 270.333 -1.741 20 0 CAADLO CNC(=O)C[N@@H+](C)CCN(C)C(=O)[C@@H]1CCNC1=O ZINC001268245535 775389195 /nfs/dbraw/zinc/38/91/95/775389195.db2.gz PTTAEDBRGATYGD-SECBINFHSA-N 1 2 270.333 -1.741 20 0 CAADLO CCOCC[NH+]1CC(NC(=O)Cn2cnnn2)C1 ZINC001268247414 775389416 /nfs/dbraw/zinc/38/94/16/775389416.db2.gz AUIUFCOBWHTHRW-UHFFFAOYSA-N 1 2 254.294 -1.490 20 0 CAADLO CCC(=O)NCC(=O)NC1C[NH+](CCOCCO)C1 ZINC001268260262 775390520 /nfs/dbraw/zinc/39/05/20/775390520.db2.gz WDBOGULOLAFXIX-UHFFFAOYSA-N 1 2 273.333 -1.678 20 0 CAADLO CC[C@@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)C2=COCCO2)[C@@H](O)C1 ZINC001083323199 775390752 /nfs/dbraw/zinc/39/07/52/775390752.db2.gz SNVWIGLNKOPXBM-UTLUCORTSA-N 1 2 299.327 -1.700 20 0 CAADLO CC[C@@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)C2=COCCO2)[C@@H](O)C1 ZINC001083323199 775390761 /nfs/dbraw/zinc/39/07/61/775390761.db2.gz SNVWIGLNKOPXBM-UTLUCORTSA-N 1 2 299.327 -1.700 20 0 CAADLO C[C@H](CC(=O)NC1C[NH+](CCOCCO)C1)NC(N)=O ZINC001268309260 775396369 /nfs/dbraw/zinc/39/63/69/775396369.db2.gz HNODGZLDMKMOCA-SECBINFHSA-N 1 2 288.348 -1.757 20 0 CAADLO CS(=O)(=O)NCCC(=O)NC1C[NH+](CCO)C1 ZINC001268310542 775397840 /nfs/dbraw/zinc/39/78/40/775397840.db2.gz INFCVGPCJBGHSS-UHFFFAOYSA-N 1 2 265.335 -2.282 20 0 CAADLO NC(=O)CN1CC(NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001268316805 775401103 /nfs/dbraw/zinc/40/11/03/775401103.db2.gz BPGVFQWQURPWGQ-UHFFFAOYSA-N 1 2 251.290 -1.372 20 0 CAADLO NC(=O)CN1CC(NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001268316805 775401105 /nfs/dbraw/zinc/40/11/05/775401105.db2.gz BPGVFQWQURPWGQ-UHFFFAOYSA-N 1 2 251.290 -1.372 20 0 CAADLO COC[C@H](CO)NS(=O)(=O)N1CC[NH+](C)CC1 ZINC001211716457 775403023 /nfs/dbraw/zinc/40/30/23/775403023.db2.gz PEOHVDOSBMKOLZ-VIFPVBQESA-N 1 2 267.351 -1.925 20 0 CAADLO C[C@H](CC[NH2+]Cc1nc(=O)n(C)[nH]1)NC(=O)c1cn[nH]n1 ZINC001268380328 775411480 /nfs/dbraw/zinc/41/14/80/775411480.db2.gz RLPZDGSALWWYEK-SSDOTTSWSA-N 1 2 294.319 -1.475 20 0 CAADLO C[C@H](CC[NH2+]Cc1nc(=O)n(C)[nH]1)NC(=O)c1cnn[nH]1 ZINC001268380328 775411487 /nfs/dbraw/zinc/41/14/87/775411487.db2.gz RLPZDGSALWWYEK-SSDOTTSWSA-N 1 2 294.319 -1.475 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(NC(=O)[C@@]2(C)CCNC2=O)C1 ZINC001268447310 775413917 /nfs/dbraw/zinc/41/39/17/775413917.db2.gz SBIHUYQNKFLDNU-GWCFXTLKSA-N 1 2 285.344 -1.680 20 0 CAADLO CO[C@@H]1C[N@@H+]([C@H](C)C(=O)NC(N)=O)C[C@H]1NC(C)=O ZINC001211738750 775417661 /nfs/dbraw/zinc/41/76/61/775417661.db2.gz QSDQHKIRMHQFLS-FTLITQJKSA-N 1 2 272.305 -1.595 20 0 CAADLO CO[C@@H]1C[N@H+]([C@H](C)C(=O)NC(N)=O)C[C@H]1NC(C)=O ZINC001211738750 775417666 /nfs/dbraw/zinc/41/76/66/775417666.db2.gz QSDQHKIRMHQFLS-FTLITQJKSA-N 1 2 272.305 -1.595 20 0 CAADLO CO[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC(N)=O)C[C@H]1NC(C)=O ZINC001211738751 775417769 /nfs/dbraw/zinc/41/77/69/775417769.db2.gz QSDQHKIRMHQFLS-NBEYISGCSA-N 1 2 272.305 -1.595 20 0 CAADLO CO[C@@H]1C[N@H+]([C@@H](C)C(=O)NC(N)=O)C[C@H]1NC(C)=O ZINC001211738751 775417775 /nfs/dbraw/zinc/41/77/75/775417775.db2.gz QSDQHKIRMHQFLS-NBEYISGCSA-N 1 2 272.305 -1.595 20 0 CAADLO O=C(CCn1cnnn1)NC1C[NH+](CCOCCO)C1 ZINC001268462241 775418029 /nfs/dbraw/zinc/41/80/29/775418029.db2.gz CGRSPIQURNXTSF-UHFFFAOYSA-N 1 2 284.320 -2.128 20 0 CAADLO CCS(=O)(=O)NCC[N@@H+]1C[C@@H](NC(C)=O)[C@H](OC)C1 ZINC001211738406 775418570 /nfs/dbraw/zinc/41/85/70/775418570.db2.gz BPVGGXITQADHMM-GHMZBOCLSA-N 1 2 293.389 -1.239 20 0 CAADLO CCS(=O)(=O)NCC[N@H+]1C[C@@H](NC(C)=O)[C@H](OC)C1 ZINC001211738406 775418578 /nfs/dbraw/zinc/41/85/78/775418578.db2.gz BPVGGXITQADHMM-GHMZBOCLSA-N 1 2 293.389 -1.239 20 0 CAADLO COC[C@H](O)C[NH+]1CC(NC(=O)c2cccnn2)C1 ZINC001268462165 775418655 /nfs/dbraw/zinc/41/86/55/775418655.db2.gz ASDMUGFGMBOXJM-SNVBAGLBSA-N 1 2 266.301 -1.102 20 0 CAADLO COCCC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(N)=O)C[C@H]1OC ZINC001211745771 775418669 /nfs/dbraw/zinc/41/86/69/775418669.db2.gz IWYYAMFPHZWQNF-OPRDCNLKSA-N 1 2 273.333 -1.288 20 0 CAADLO COCCC(=O)N[C@@H]1C[N@H+]([C@H](C)C(N)=O)C[C@H]1OC ZINC001211745771 775418675 /nfs/dbraw/zinc/41/86/75/775418675.db2.gz IWYYAMFPHZWQNF-OPRDCNLKSA-N 1 2 273.333 -1.288 20 0 CAADLO CO[C@@H]1C[N@H+](CCNS(C)(=O)=O)C[C@H]1NC(C)=O ZINC001211738735 775418770 /nfs/dbraw/zinc/41/87/70/775418770.db2.gz QAKWAMKHDXKZDF-NXEZZACHSA-N 1 2 279.362 -1.629 20 0 CAADLO CO[C@@H]1C[N@@H+](CCNS(C)(=O)=O)C[C@H]1NC(C)=O ZINC001211738735 775418777 /nfs/dbraw/zinc/41/87/77/775418777.db2.gz QAKWAMKHDXKZDF-NXEZZACHSA-N 1 2 279.362 -1.629 20 0 CAADLO COCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(N)=O)C[C@H]1OC ZINC001211750207 775419481 /nfs/dbraw/zinc/41/94/81/775419481.db2.gz MCENXZGXDVCWFF-DJLDLDEBSA-N 1 2 259.306 -1.678 20 0 CAADLO COCC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(N)=O)C[C@H]1OC ZINC001211750207 775419484 /nfs/dbraw/zinc/41/94/84/775419484.db2.gz MCENXZGXDVCWFF-DJLDLDEBSA-N 1 2 259.306 -1.678 20 0 CAADLO COCC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1OC ZINC001211748141 775420091 /nfs/dbraw/zinc/42/00/91/775420091.db2.gz PCRMJTWRARRXGH-GHMZBOCLSA-N 1 2 285.344 -1.320 20 0 CAADLO COCC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1OC ZINC001211748141 775420096 /nfs/dbraw/zinc/42/00/96/775420096.db2.gz PCRMJTWRARRXGH-GHMZBOCLSA-N 1 2 285.344 -1.320 20 0 CAADLO CCN(C)C(=O)C[N@@H+]1C[C@@H](NC(=O)COC)[C@H](OC)C1 ZINC001211748304 775420393 /nfs/dbraw/zinc/42/03/93/775420393.db2.gz WEAWLLDUZYBCLN-GHMZBOCLSA-N 1 2 287.360 -1.074 20 0 CAADLO CCN(C)C(=O)C[N@H+]1C[C@@H](NC(=O)COC)[C@H](OC)C1 ZINC001211748304 775420398 /nfs/dbraw/zinc/42/03/98/775420398.db2.gz WEAWLLDUZYBCLN-GHMZBOCLSA-N 1 2 287.360 -1.074 20 0 CAADLO CCN(CC[NH2+]Cc1cnn(CC)n1)C(=O)C(N)=O ZINC001268476455 775420508 /nfs/dbraw/zinc/42/05/08/775420508.db2.gz RXECBXDDXLKQDQ-UHFFFAOYSA-N 1 2 268.321 -1.279 20 0 CAADLO COCC(=O)N[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]1OC ZINC001211747919 775420733 /nfs/dbraw/zinc/42/07/33/775420733.db2.gz FKSBZNYJZNPOJQ-NXEZZACHSA-N 1 2 273.333 -1.464 20 0 CAADLO COCC(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1OC ZINC001211747919 775420736 /nfs/dbraw/zinc/42/07/36/775420736.db2.gz FKSBZNYJZNPOJQ-NXEZZACHSA-N 1 2 273.333 -1.464 20 0 CAADLO CNS(=O)(=O)CC(=O)NC1C[NH+](CCCF)C1 ZINC001268484305 775421764 /nfs/dbraw/zinc/42/17/64/775421764.db2.gz FUWJBTWAZUFIDX-UHFFFAOYSA-N 1 2 267.326 -1.304 20 0 CAADLO COCC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(N)=O)C[C@H]1OC ZINC001211750208 775422027 /nfs/dbraw/zinc/42/20/27/775422027.db2.gz MCENXZGXDVCWFF-IWSPIJDZSA-N 1 2 259.306 -1.678 20 0 CAADLO COCC(=O)N[C@@H]1C[N@H+]([C@H](C)C(N)=O)C[C@H]1OC ZINC001211750208 775422033 /nfs/dbraw/zinc/42/20/33/775422033.db2.gz MCENXZGXDVCWFF-IWSPIJDZSA-N 1 2 259.306 -1.678 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CCOC)[C@H](OC)C1 ZINC001211757388 775422360 /nfs/dbraw/zinc/42/23/60/775422360.db2.gz XBGNBAFJMRXDLR-GMTAPVOTSA-N 1 2 287.360 -1.027 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)CCOC)[C@H](OC)C1 ZINC001211757388 775422364 /nfs/dbraw/zinc/42/23/64/775422364.db2.gz XBGNBAFJMRXDLR-GMTAPVOTSA-N 1 2 287.360 -1.027 20 0 CAADLO COCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)N(C)C)C[C@H]1OC ZINC001211752103 775422378 /nfs/dbraw/zinc/42/23/78/775422378.db2.gz LLWBYHRCRDQWEY-HBNTYKKESA-N 1 2 287.360 -1.075 20 0 CAADLO COCC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)N(C)C)C[C@H]1OC ZINC001211752103 775422384 /nfs/dbraw/zinc/42/23/84/775422384.db2.gz LLWBYHRCRDQWEY-HBNTYKKESA-N 1 2 287.360 -1.075 20 0 CAADLO CCOCC[NH+]1CC(NC(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001268485366 775422951 /nfs/dbraw/zinc/42/29/51/775422951.db2.gz QWPJADFAPCDTQU-UHFFFAOYSA-N 1 2 296.327 -1.064 20 0 CAADLO CO[C@@H]1C[N@@H+]([C@H](C)C(N)=O)C[C@H]1NC(=O)CNC(C)=O ZINC001211776754 775424576 /nfs/dbraw/zinc/42/45/76/775424576.db2.gz QFWAPGJTXYEEBQ-SZEHBUNVSA-N 1 2 286.332 -2.188 20 0 CAADLO CO[C@@H]1C[N@H+]([C@H](C)C(N)=O)C[C@H]1NC(=O)CNC(C)=O ZINC001211776754 775424582 /nfs/dbraw/zinc/42/45/82/775424582.db2.gz QFWAPGJTXYEEBQ-SZEHBUNVSA-N 1 2 286.332 -2.188 20 0 CAADLO CO[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@H]1NC(=O)CNC(C)=O ZINC001211776884 775424712 /nfs/dbraw/zinc/42/47/12/775424712.db2.gz USUPSFPJZHYKEF-GMTAPVOTSA-N 1 2 298.343 -2.174 20 0 CAADLO CO[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@H]1NC(=O)CNC(C)=O ZINC001211776884 775424714 /nfs/dbraw/zinc/42/47/14/775424714.db2.gz USUPSFPJZHYKEF-GMTAPVOTSA-N 1 2 298.343 -2.174 20 0 CAADLO CCOCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(N)=O)C[C@H]1OC ZINC001211802041 775425793 /nfs/dbraw/zinc/42/57/93/775425793.db2.gz HDOOBJLKNTYVGP-IVZWLZJFSA-N 1 2 273.333 -1.288 20 0 CAADLO CCOCC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(N)=O)C[C@H]1OC ZINC001211802041 775425800 /nfs/dbraw/zinc/42/58/00/775425800.db2.gz HDOOBJLKNTYVGP-IVZWLZJFSA-N 1 2 273.333 -1.288 20 0 CAADLO CCOCC(=O)N[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@H]1OC ZINC001211802005 775425879 /nfs/dbraw/zinc/42/58/79/775425879.db2.gz FSTCXQQMVVCXRV-OUAUKWLOSA-N 1 2 285.344 -1.273 20 0 CAADLO CCOCC(=O)N[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@H]1OC ZINC001211802005 775425883 /nfs/dbraw/zinc/42/58/83/775425883.db2.gz FSTCXQQMVVCXRV-OUAUKWLOSA-N 1 2 285.344 -1.273 20 0 CAADLO CNC(=O)CC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(N)=O)C[C@H]1OC ZINC001212178526 775425982 /nfs/dbraw/zinc/42/59/82/775425982.db2.gz ZLSSRJYWUHYPBT-DJLDLDEBSA-N 1 2 286.332 -2.188 20 0 CAADLO CNC(=O)CC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(N)=O)C[C@H]1OC ZINC001212178526 775425986 /nfs/dbraw/zinc/42/59/86/775425986.db2.gz ZLSSRJYWUHYPBT-DJLDLDEBSA-N 1 2 286.332 -2.188 20 0 CAADLO O=C(Cn1cnnn1)NC/C=C\C[NH2+]Cc1csnn1 ZINC001268511360 775426181 /nfs/dbraw/zinc/42/61/81/775426181.db2.gz QRWZKKWDKGECAH-UPHRSURJSA-N 1 2 294.344 -1.013 20 0 CAADLO CCOCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC)C[C@H]1OC ZINC001211804542 775426264 /nfs/dbraw/zinc/42/62/64/775426264.db2.gz QOEOIRMWFDHZHO-HBNTYKKESA-N 1 2 287.360 -1.027 20 0 CAADLO CCOCC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)NC)C[C@H]1OC ZINC001211804542 775426266 /nfs/dbraw/zinc/42/62/66/775426266.db2.gz QOEOIRMWFDHZHO-HBNTYKKESA-N 1 2 287.360 -1.027 20 0 CAADLO Cn1nnnc1C[NH2+]C/C=C\CNC(=O)c1cnnn1C ZINC001268534961 775427121 /nfs/dbraw/zinc/42/71/21/775427121.db2.gz FSHLBEQLJVOGFD-ARJAWSKDSA-N 1 2 291.319 -1.586 20 0 CAADLO O=C(NCC=CC[NH2+]Cc1cnon1)[C@@H]1COC(=O)N1 ZINC001268533988 775427230 /nfs/dbraw/zinc/42/72/30/775427230.db2.gz BAAKUUSLDGQLNS-VWCDRPFISA-N 1 2 281.272 -1.060 20 0 CAADLO CC[C@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)Cn2cnnn2)[C@@H](O)C1 ZINC001083329645 775429191 /nfs/dbraw/zinc/42/91/91/775429191.db2.gz POKHBZLLABGOFK-HLTSFMKQSA-N 1 2 297.319 -2.902 20 0 CAADLO CC[C@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)Cn2cnnn2)[C@@H](O)C1 ZINC001083329645 775429193 /nfs/dbraw/zinc/42/91/93/775429193.db2.gz POKHBZLLABGOFK-HLTSFMKQSA-N 1 2 297.319 -2.902 20 0 CAADLO O=C(Cn1cnnn1)N[C@@H]1C[N@@H+](C/C=C\Cl)C[C@@H]1O ZINC001083329901 775431753 /nfs/dbraw/zinc/43/17/53/775431753.db2.gz YXSAKAKRKJDTAC-ABKJGRNXSA-N 1 2 286.723 -1.413 20 0 CAADLO O=C(Cn1cnnn1)N[C@@H]1C[N@H+](C/C=C\Cl)C[C@@H]1O ZINC001083329901 775431758 /nfs/dbraw/zinc/43/17/58/775431758.db2.gz YXSAKAKRKJDTAC-ABKJGRNXSA-N 1 2 286.723 -1.413 20 0 CAADLO O=C(Cn1cnnn1)N[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@@H]1O ZINC001083329957 775433185 /nfs/dbraw/zinc/43/31/85/775433185.db2.gz BQRNABQVKNGIOA-VGMNWLOBSA-N 1 2 295.303 -3.277 20 0 CAADLO O=C(Cn1cnnn1)N[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@@H]1O ZINC001083329957 775433190 /nfs/dbraw/zinc/43/31/90/775433190.db2.gz BQRNABQVKNGIOA-VGMNWLOBSA-N 1 2 295.303 -3.277 20 0 CAADLO O=C1COc2c[nH+]c(NC(CO)(CO)CO)cc2N1 ZINC001167924579 775434689 /nfs/dbraw/zinc/43/46/89/775434689.db2.gz ZYNQEZMZJDOHAW-UHFFFAOYSA-N 1 2 269.257 -1.460 20 0 CAADLO Cc1nnc(C[NH2+]CC=CCNC(=O)[C@@H]2CNC(=O)N2)o1 ZINC001268584091 775437383 /nfs/dbraw/zinc/43/73/83/775437383.db2.gz IMZZSXGMPZIHPC-HPOULIHZSA-N 1 2 294.315 -1.179 20 0 CAADLO Cc1nc(N(C)C)nc(N[C@H]2CCN(C(=O)C(N)=O)C2)[nH+]1 ZINC001059041443 775437857 /nfs/dbraw/zinc/43/78/57/775437857.db2.gz PMACRCGJAZJSDR-QMMMGPOBSA-N 1 2 293.331 -1.256 20 0 CAADLO CO[C@@H]1C[N@@H+]([C@@H](C)C(N)=O)C[C@H]1NC(=O)CNC(N)=O ZINC001211825824 775438132 /nfs/dbraw/zinc/43/81/32/775438132.db2.gz WXNDBIKMKRRUBF-XLPZGREQSA-N 1 2 287.320 -2.656 20 0 CAADLO CO[C@@H]1C[N@H+]([C@@H](C)C(N)=O)C[C@H]1NC(=O)CNC(N)=O ZINC001211825824 775438141 /nfs/dbraw/zinc/43/81/41/775438141.db2.gz WXNDBIKMKRRUBF-XLPZGREQSA-N 1 2 287.320 -2.656 20 0 CAADLO CO[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@H]1NC(=O)CNC(N)=O ZINC001211833568 775438192 /nfs/dbraw/zinc/43/81/92/775438192.db2.gz DUKLNDLBMFDZBO-IWSPIJDZSA-N 1 2 299.331 -2.641 20 0 CAADLO CO[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@H]1NC(=O)CNC(N)=O ZINC001211833568 775438196 /nfs/dbraw/zinc/43/81/96/775438196.db2.gz DUKLNDLBMFDZBO-IWSPIJDZSA-N 1 2 299.331 -2.641 20 0 CAADLO Cn1nc(C2CC2)nc1C[NH2+]C/C=C\CNC(=O)C(N)=O ZINC001268586364 775438507 /nfs/dbraw/zinc/43/85/07/775438507.db2.gz UCLKILHAMHNQEK-IHWYPQMZSA-N 1 2 292.343 -1.060 20 0 CAADLO Cn1nc(C2CC2)nc1C[NH2+]C/C=C/CNC(=O)C(N)=O ZINC001268586365 775438766 /nfs/dbraw/zinc/43/87/66/775438766.db2.gz UCLKILHAMHNQEK-NSCUHMNNSA-N 1 2 292.343 -1.060 20 0 CAADLO CNC(=O)C[N@@H+]1C[C@@H](NC(=O)CNC(N)=O)[C@H](OC)C1 ZINC001211833470 775438939 /nfs/dbraw/zinc/43/89/39/775438939.db2.gz ANCQMRLTOLIWBQ-HTQZYQBOSA-N 1 2 287.320 -2.784 20 0 CAADLO CNC(=O)C[N@H+]1C[C@@H](NC(=O)CNC(N)=O)[C@H](OC)C1 ZINC001211833470 775438943 /nfs/dbraw/zinc/43/89/43/775438943.db2.gz ANCQMRLTOLIWBQ-HTQZYQBOSA-N 1 2 287.320 -2.784 20 0 CAADLO NC(=O)[C@@H]1C[C@@H]1C(=O)NC/C=C/C[NH2+]Cc1cnon1 ZINC001268590668 775439658 /nfs/dbraw/zinc/43/96/58/775439658.db2.gz INVZOTADMAPBBO-HXNLBGINSA-N 1 2 279.300 -1.047 20 0 CAADLO CC[C@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)c2cnn(C)c2)[C@@H](O)C1 ZINC001083334011 775440529 /nfs/dbraw/zinc/44/05/29/775440529.db2.gz WYXONJRMXCXPFX-MXWKQRLJSA-N 1 2 295.343 -1.541 20 0 CAADLO CC[C@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)c2cnn(C)c2)[C@@H](O)C1 ZINC001083334011 775440535 /nfs/dbraw/zinc/44/05/35/775440535.db2.gz WYXONJRMXCXPFX-MXWKQRLJSA-N 1 2 295.343 -1.541 20 0 CAADLO CC[C@@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)Cn2cccn2)[C@@H](O)C1 ZINC001083340533 775441291 /nfs/dbraw/zinc/44/12/91/775441291.db2.gz KCCWECSYKSTPSJ-VWYCJHECSA-N 1 2 295.343 -1.692 20 0 CAADLO CC[C@@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)Cn2cccn2)[C@@H](O)C1 ZINC001083340533 775441301 /nfs/dbraw/zinc/44/13/01/775441301.db2.gz KCCWECSYKSTPSJ-VWYCJHECSA-N 1 2 295.343 -1.692 20 0 CAADLO Cc1nnsc1C(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1O ZINC001083334227 775441893 /nfs/dbraw/zinc/44/18/93/775441893.db2.gz ISXQJLKKXGAHFO-SFYZADRCSA-N 1 2 272.330 -1.386 20 0 CAADLO Cc1nnsc1C(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001083334227 775441900 /nfs/dbraw/zinc/44/19/00/775441900.db2.gz ISXQJLKKXGAHFO-SFYZADRCSA-N 1 2 272.330 -1.386 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)c2cccn2C)[C@@H](O)C1 ZINC001083344518 775442089 /nfs/dbraw/zinc/44/20/89/775442089.db2.gz UNCBOEABXCWVHV-FOGDFJRCSA-N 1 2 294.355 -1.066 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2cccn2C)[C@@H](O)C1 ZINC001083344518 775442094 /nfs/dbraw/zinc/44/20/94/775442094.db2.gz UNCBOEABXCWVHV-FOGDFJRCSA-N 1 2 294.355 -1.066 20 0 CAADLO O=C(N[C@@H]1C[N@H+]([C@H]2CCCNC2=O)C[C@@H]1O)c1ccn[nH]1 ZINC001083348576 775442201 /nfs/dbraw/zinc/44/22/01/775442201.db2.gz PNSPBIBGRJFHCM-VWYCJHECSA-N 1 2 293.327 -1.537 20 0 CAADLO O=C(N[C@@H]1C[N@@H+]([C@H]2CCCNC2=O)C[C@@H]1O)c1ccn[nH]1 ZINC001083348576 775442205 /nfs/dbraw/zinc/44/22/05/775442205.db2.gz PNSPBIBGRJFHCM-VWYCJHECSA-N 1 2 293.327 -1.537 20 0 CAADLO CNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)C(C)C)[C@@H](O)C1 ZINC001083344815 775442461 /nfs/dbraw/zinc/44/24/61/775442461.db2.gz HZRBYDIKPIQOGE-AEJSXWLSSA-N 1 2 257.334 -1.062 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)C(C)C)[C@@H](O)C1 ZINC001083344815 775442466 /nfs/dbraw/zinc/44/24/66/775442466.db2.gz HZRBYDIKPIQOGE-AEJSXWLSSA-N 1 2 257.334 -1.062 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)Cn2cccn2)[C@@H](O)C1 ZINC001083340491 775442388 /nfs/dbraw/zinc/44/23/88/775442388.db2.gz IIUNPLKQKQFURX-BBBLOLIVSA-N 1 2 281.316 -2.082 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)Cn2cccn2)[C@@H](O)C1 ZINC001083340491 775442390 /nfs/dbraw/zinc/44/23/90/775442390.db2.gz IIUNPLKQKQFURX-BBBLOLIVSA-N 1 2 281.316 -2.082 20 0 CAADLO CN1CC[C@H]([N@H+]2C[C@@H](NC(=O)c3ccn[nH]3)[C@@H](O)C2)C1=O ZINC001083348948 775444070 /nfs/dbraw/zinc/44/40/70/775444070.db2.gz FUDAOYSJOXKITN-VWYCJHECSA-N 1 2 293.327 -1.585 20 0 CAADLO CN1CC[C@H]([N@@H+]2C[C@@H](NC(=O)c3ccn[nH]3)[C@@H](O)C2)C1=O ZINC001083348948 775444075 /nfs/dbraw/zinc/44/40/75/775444075.db2.gz FUDAOYSJOXKITN-VWYCJHECSA-N 1 2 293.327 -1.585 20 0 CAADLO C[C@H](C(=O)N(C)C)[N@H+]1C[C@@H](NC(=O)c2cn[nH]c2)[C@@H](O)C1 ZINC001083351294 775444323 /nfs/dbraw/zinc/44/43/23/775444323.db2.gz ZLCDAKCRWYWSJX-IEBDPFPHSA-N 1 2 295.343 -1.339 20 0 CAADLO C[C@H](C(=O)N(C)C)[N@@H+]1C[C@@H](NC(=O)c2cn[nH]c2)[C@@H](O)C1 ZINC001083351294 775444326 /nfs/dbraw/zinc/44/43/26/775444326.db2.gz ZLCDAKCRWYWSJX-IEBDPFPHSA-N 1 2 295.343 -1.339 20 0 CAADLO C[C@@H](C(=O)N(C)C)[N@H+]1C[C@@H](NC(=O)c2cn[nH]c2)[C@@H](O)C1 ZINC001083351293 775444372 /nfs/dbraw/zinc/44/43/72/775444372.db2.gz ZLCDAKCRWYWSJX-GDPRMGEGSA-N 1 2 295.343 -1.339 20 0 CAADLO C[C@@H](C(=O)N(C)C)[N@@H+]1C[C@@H](NC(=O)c2cn[nH]c2)[C@@H](O)C1 ZINC001083351293 775444376 /nfs/dbraw/zinc/44/43/76/775444376.db2.gz ZLCDAKCRWYWSJX-GDPRMGEGSA-N 1 2 295.343 -1.339 20 0 CAADLO O=C(N[C@@H]1C[N@H+](CCCO)C[C@@H]1O)c1cnns1 ZINC001083351377 775444410 /nfs/dbraw/zinc/44/44/10/775444410.db2.gz BMAWXOUBIJASCJ-SFYZADRCSA-N 1 2 272.330 -1.305 20 0 CAADLO O=C(N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O)c1cnns1 ZINC001083351377 775444414 /nfs/dbraw/zinc/44/44/14/775444414.db2.gz BMAWXOUBIJASCJ-SFYZADRCSA-N 1 2 272.330 -1.305 20 0 CAADLO CC[C@@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)c2cn[nH]c2)[C@@H](O)C1 ZINC001083351252 775444662 /nfs/dbraw/zinc/44/46/62/775444662.db2.gz XKMDRLWRMMOWKA-UTLUCORTSA-N 1 2 281.316 -1.552 20 0 CAADLO CC[C@@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)c2cn[nH]c2)[C@@H](O)C1 ZINC001083351252 775444665 /nfs/dbraw/zinc/44/46/65/775444665.db2.gz XKMDRLWRMMOWKA-UTLUCORTSA-N 1 2 281.316 -1.552 20 0 CAADLO CC[C@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)c2cn[nH]c2)[C@@H](O)C1 ZINC001083351251 775444710 /nfs/dbraw/zinc/44/47/10/775444710.db2.gz XKMDRLWRMMOWKA-BBBLOLIVSA-N 1 2 281.316 -1.552 20 0 CAADLO CC[C@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)c2cn[nH]c2)[C@@H](O)C1 ZINC001083351251 775444715 /nfs/dbraw/zinc/44/47/15/775444715.db2.gz XKMDRLWRMMOWKA-BBBLOLIVSA-N 1 2 281.316 -1.552 20 0 CAADLO CC[C@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)c2ccn[nH]2)[C@@H](O)C1 ZINC001083348954 775444966 /nfs/dbraw/zinc/44/49/66/775444966.db2.gz FYVMEARJWPVYII-BBBLOLIVSA-N 1 2 281.316 -1.552 20 0 CAADLO CC[C@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)c2ccn[nH]2)[C@@H](O)C1 ZINC001083348954 775444974 /nfs/dbraw/zinc/44/49/74/775444974.db2.gz FYVMEARJWPVYII-BBBLOLIVSA-N 1 2 281.316 -1.552 20 0 CAADLO CN1CC[C@H]([N@H+]2C[C@@H](NC(=O)c3cn[nH]c3)[C@@H](O)C2)C1=O ZINC001083351095 775445362 /nfs/dbraw/zinc/44/53/62/775445362.db2.gz QKJBOIQURABERV-VWYCJHECSA-N 1 2 293.327 -1.585 20 0 CAADLO CN1CC[C@H]([N@@H+]2C[C@@H](NC(=O)c3cn[nH]c3)[C@@H](O)C2)C1=O ZINC001083351095 775445366 /nfs/dbraw/zinc/44/53/66/775445366.db2.gz QKJBOIQURABERV-VWYCJHECSA-N 1 2 293.327 -1.585 20 0 CAADLO O=C(N[C@@H]1C[N@H+]([C@H]2CCCNC2=O)C[C@@H]1O)c1ccon1 ZINC001083356332 775446030 /nfs/dbraw/zinc/44/60/30/775446030.db2.gz OJABTFVMCSOZAU-VWYCJHECSA-N 1 2 294.311 -1.272 20 0 CAADLO O=C(N[C@@H]1C[N@@H+]([C@H]2CCCNC2=O)C[C@@H]1O)c1ccon1 ZINC001083356332 775446035 /nfs/dbraw/zinc/44/60/35/775446035.db2.gz OJABTFVMCSOZAU-VWYCJHECSA-N 1 2 294.311 -1.272 20 0 CAADLO C[C@@H](C(=O)N(C)C)[N@H+]1C[C@@H](NC(=O)c2ccon2)[C@@H](O)C1 ZINC001083353393 775446659 /nfs/dbraw/zinc/44/66/59/775446659.db2.gz BXMROHPPBQDQKD-GDPRMGEGSA-N 1 2 296.327 -1.074 20 0 CAADLO C[C@@H](C(=O)N(C)C)[N@@H+]1C[C@@H](NC(=O)c2ccon2)[C@@H](O)C1 ZINC001083353393 775446665 /nfs/dbraw/zinc/44/66/65/775446665.db2.gz BXMROHPPBQDQKD-GDPRMGEGSA-N 1 2 296.327 -1.074 20 0 CAADLO C[C@H](C(=O)N(C)C)[N@H+]1C[C@@H](NC(=O)c2ccon2)[C@@H](O)C1 ZINC001083353394 775447093 /nfs/dbraw/zinc/44/70/93/775447093.db2.gz BXMROHPPBQDQKD-IEBDPFPHSA-N 1 2 296.327 -1.074 20 0 CAADLO C[C@H](C(=O)N(C)C)[N@@H+]1C[C@@H](NC(=O)c2ccon2)[C@@H](O)C1 ZINC001083353394 775447099 /nfs/dbraw/zinc/44/70/99/775447099.db2.gz BXMROHPPBQDQKD-IEBDPFPHSA-N 1 2 296.327 -1.074 20 0 CAADLO O=C(N[C@@H]1C[N@H+]([C@H]2CCCNC2=O)C[C@@H]1O)c1cn[nH]c1 ZINC001083353565 775447239 /nfs/dbraw/zinc/44/72/39/775447239.db2.gz LGAFBKKWOLEMBS-VWYCJHECSA-N 1 2 293.327 -1.537 20 0 CAADLO O=C(N[C@@H]1C[N@@H+]([C@H]2CCCNC2=O)C[C@@H]1O)c1cn[nH]c1 ZINC001083353565 775447245 /nfs/dbraw/zinc/44/72/45/775447245.db2.gz LGAFBKKWOLEMBS-VWYCJHECSA-N 1 2 293.327 -1.537 20 0 CAADLO O=C(N[C@@H]1C[N@H+](CCO)C[C@@H]1O)c1cncs1 ZINC001083357976 775447720 /nfs/dbraw/zinc/44/77/20/775447720.db2.gz OLPDKCIQWYYBIG-SFYZADRCSA-N 1 2 257.315 -1.090 20 0 CAADLO O=C(N[C@@H]1C[N@@H+](CCO)C[C@@H]1O)c1cncs1 ZINC001083357976 775447728 /nfs/dbraw/zinc/44/77/28/775447728.db2.gz OLPDKCIQWYYBIG-SFYZADRCSA-N 1 2 257.315 -1.090 20 0 CAADLO Cc1cnn(CC(=O)N[C@@H]2C[N@H+]([C@H](C)C(N)=O)C[C@@H]2O)c1 ZINC001083358752 775448332 /nfs/dbraw/zinc/44/83/32/775448332.db2.gz YAAVOIKMEMTQTF-MXWKQRLJSA-N 1 2 295.343 -1.773 20 0 CAADLO Cc1cnn(CC(=O)N[C@@H]2C[N@@H+]([C@H](C)C(N)=O)C[C@@H]2O)c1 ZINC001083358752 775448341 /nfs/dbraw/zinc/44/83/41/775448341.db2.gz YAAVOIKMEMTQTF-MXWKQRLJSA-N 1 2 295.343 -1.773 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)C2=COCCC2)[C@@H](O)C1 ZINC001083366480 775449932 /nfs/dbraw/zinc/44/99/32/775449932.db2.gz LELBXZWNVPWCOV-IEBDPFPHSA-N 1 2 283.328 -1.284 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)C2=COCCC2)[C@@H](O)C1 ZINC001083366480 775449939 /nfs/dbraw/zinc/44/99/39/775449939.db2.gz LELBXZWNVPWCOV-IEBDPFPHSA-N 1 2 283.328 -1.284 20 0 CAADLO CN(C)C(=O)C[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCOC2)[C@@H](O)C1 ZINC001083368828 775450663 /nfs/dbraw/zinc/45/06/63/775450663.db2.gz YBIFWFIBPJWFSX-UTUOFQBUSA-N 1 2 299.371 -1.338 20 0 CAADLO CN(C)C(=O)C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCOC2)[C@@H](O)C1 ZINC001083368828 775450668 /nfs/dbraw/zinc/45/06/68/775450668.db2.gz YBIFWFIBPJWFSX-UTUOFQBUSA-N 1 2 299.371 -1.338 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)Cc2cnn(C)c2)[C@@H](O)C1 ZINC001083364658 775451031 /nfs/dbraw/zinc/45/10/31/775451031.db2.gz ZFOICADDWBTEMI-IEBDPFPHSA-N 1 2 295.343 -2.002 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)Cc2cnn(C)c2)[C@@H](O)C1 ZINC001083364658 775451034 /nfs/dbraw/zinc/45/10/34/775451034.db2.gz ZFOICADDWBTEMI-IEBDPFPHSA-N 1 2 295.343 -2.002 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)C2=COCCC2)[C@@H](O)C1 ZINC001083366479 775451228 /nfs/dbraw/zinc/45/12/28/775451228.db2.gz LELBXZWNVPWCOV-GDPRMGEGSA-N 1 2 283.328 -1.284 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)C2=COCCC2)[C@@H](O)C1 ZINC001083366479 775451238 /nfs/dbraw/zinc/45/12/38/775451238.db2.gz LELBXZWNVPWCOV-GDPRMGEGSA-N 1 2 283.328 -1.284 20 0 CAADLO CNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)C2=COCCC2)[C@@H](O)C1 ZINC001083366278 775451251 /nfs/dbraw/zinc/45/12/51/775451251.db2.gz ATFFQDADPKVZNP-WCQGTBRESA-N 1 2 297.355 -1.024 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)C2=COCCC2)[C@@H](O)C1 ZINC001083366278 775451258 /nfs/dbraw/zinc/45/12/58/775451258.db2.gz ATFFQDADPKVZNP-WCQGTBRESA-N 1 2 297.355 -1.024 20 0 CAADLO CN(C)C(=O)C[N@H+]1C[C@@H](NC(=O)C2=COCCC2)[C@@H](O)C1 ZINC001083367204 775451604 /nfs/dbraw/zinc/45/16/04/775451604.db2.gz VEISWLXCQFYEBT-NEPJUHHUSA-N 1 2 297.355 -1.070 20 0 CAADLO CN(C)C(=O)C[N@@H+]1C[C@@H](NC(=O)C2=COCCC2)[C@@H](O)C1 ZINC001083367204 775451610 /nfs/dbraw/zinc/45/16/10/775451610.db2.gz VEISWLXCQFYEBT-NEPJUHHUSA-N 1 2 297.355 -1.070 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)Cc2cc[nH]n2)[C@@H](O)C1 ZINC001083381050 775454518 /nfs/dbraw/zinc/45/45/18/775454518.db2.gz SIILVPXIRBSYHC-SFGNSQDASA-N 1 2 281.316 -2.013 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)Cc2cc[nH]n2)[C@@H](O)C1 ZINC001083381050 775454530 /nfs/dbraw/zinc/45/45/30/775454530.db2.gz SIILVPXIRBSYHC-SFGNSQDASA-N 1 2 281.316 -2.013 20 0 CAADLO O=C(Cc1ccon1)N[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@@H]1O ZINC001083378253 775454559 /nfs/dbraw/zinc/45/45/59/775454559.db2.gz IEFOWNCPTMHLNE-MXWKQRLJSA-N 1 2 294.311 -1.733 20 0 CAADLO O=C(Cc1ccon1)N[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@@H]1O ZINC001083378253 775454572 /nfs/dbraw/zinc/45/45/72/775454572.db2.gz IEFOWNCPTMHLNE-MXWKQRLJSA-N 1 2 294.311 -1.733 20 0 CAADLO CC[C@@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)Cc2ccon2)[C@@H](O)C1 ZINC001083378532 775454984 /nfs/dbraw/zinc/45/49/84/775454984.db2.gz VMGOLQUXULFEMC-VWYCJHECSA-N 1 2 296.327 -1.358 20 0 CAADLO CC[C@@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)Cc2ccon2)[C@@H](O)C1 ZINC001083378532 775454992 /nfs/dbraw/zinc/45/49/92/775454992.db2.gz VMGOLQUXULFEMC-VWYCJHECSA-N 1 2 296.327 -1.358 20 0 CAADLO O=C(Cc1ccon1)N[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@@H]1O ZINC001083378254 775455200 /nfs/dbraw/zinc/45/52/00/775455200.db2.gz IEFOWNCPTMHLNE-VWYCJHECSA-N 1 2 294.311 -1.733 20 0 CAADLO O=C(Cc1ccon1)N[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@@H]1O ZINC001083378254 775455208 /nfs/dbraw/zinc/45/52/08/775455208.db2.gz IEFOWNCPTMHLNE-VWYCJHECSA-N 1 2 294.311 -1.733 20 0 CAADLO CNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)Cc2ccon2)[C@@H](O)C1 ZINC001083378418 775455570 /nfs/dbraw/zinc/45/55/70/775455570.db2.gz PFVIXMJLPOKKPD-GDPRMGEGSA-N 1 2 296.327 -1.487 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)Cc2ccon2)[C@@H](O)C1 ZINC001083378418 775455574 /nfs/dbraw/zinc/45/55/74/775455574.db2.gz PFVIXMJLPOKKPD-GDPRMGEGSA-N 1 2 296.327 -1.487 20 0 CAADLO CN(C)C(=O)C[N@H+]1C[C@@H](NC(=O)C[C@@H]2CCOC2)[C@@H](O)C1 ZINC001083380498 775455985 /nfs/dbraw/zinc/45/59/85/775455985.db2.gz YRHQDLMGYMCISO-TUAOUCFPSA-N 1 2 299.371 -1.338 20 0 CAADLO CN(C)C(=O)C[N@@H+]1C[C@@H](NC(=O)C[C@@H]2CCOC2)[C@@H](O)C1 ZINC001083380498 775455991 /nfs/dbraw/zinc/45/59/91/775455991.db2.gz YRHQDLMGYMCISO-TUAOUCFPSA-N 1 2 299.371 -1.338 20 0 CAADLO CC[C@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)Cc2ccon2)[C@@H](O)C1 ZINC001083378531 775456011 /nfs/dbraw/zinc/45/60/11/775456011.db2.gz VMGOLQUXULFEMC-MXWKQRLJSA-N 1 2 296.327 -1.358 20 0 CAADLO CC[C@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)Cc2ccon2)[C@@H](O)C1 ZINC001083378531 775456017 /nfs/dbraw/zinc/45/60/17/775456017.db2.gz VMGOLQUXULFEMC-MXWKQRLJSA-N 1 2 296.327 -1.358 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)Cc2ccon2)[C@@H](O)C1 ZINC001083378419 775456189 /nfs/dbraw/zinc/45/61/89/775456189.db2.gz PFVIXMJLPOKKPD-IEBDPFPHSA-N 1 2 296.327 -1.487 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)Cc2ccon2)[C@@H](O)C1 ZINC001083378419 775456196 /nfs/dbraw/zinc/45/61/96/775456196.db2.gz PFVIXMJLPOKKPD-IEBDPFPHSA-N 1 2 296.327 -1.487 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)C2CC=CC2)[C@@H](O)C1 ZINC001083379785 775456297 /nfs/dbraw/zinc/45/62/97/775456297.db2.gz YWVFQOUPONNLSC-IEBDPFPHSA-N 1 2 267.329 -1.012 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)C2CC=CC2)[C@@H](O)C1 ZINC001083379785 775456306 /nfs/dbraw/zinc/45/63/06/775456306.db2.gz YWVFQOUPONNLSC-IEBDPFPHSA-N 1 2 267.329 -1.012 20 0 CAADLO Cc1[nH]ccc1C(=O)N[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@@H]1O ZINC001083396333 775457917 /nfs/dbraw/zinc/45/79/17/775457917.db2.gz ISDPSKICRXFJNJ-WOPDTQHZSA-N 1 2 292.339 -1.013 20 0 CAADLO Cc1[nH]ccc1C(=O)N[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@@H]1O ZINC001083396333 775457922 /nfs/dbraw/zinc/45/79/22/775457922.db2.gz ISDPSKICRXFJNJ-WOPDTQHZSA-N 1 2 292.339 -1.013 20 0 CAADLO CNC(=O)C[N@H+]1C[C@@H](NC(=O)c2cc[nH]c(=O)c2)[C@@H](O)C1 ZINC001083396716 775457935 /nfs/dbraw/zinc/45/79/35/775457935.db2.gz BGTQTFNMPUEGSU-ZJUUUORDSA-N 1 2 294.311 -1.692 20 0 CAADLO CNC(=O)C[N@@H+]1C[C@@H](NC(=O)c2cc[nH]c(=O)c2)[C@@H](O)C1 ZINC001083396716 775457937 /nfs/dbraw/zinc/45/79/37/775457937.db2.gz BGTQTFNMPUEGSU-ZJUUUORDSA-N 1 2 294.311 -1.692 20 0 CAADLO Cn1nnnc1C[NH2+]C/C=C\CNC(=O)[C@@H]1CCC(=O)N1 ZINC001268615973 775459143 /nfs/dbraw/zinc/45/91/43/775459143.db2.gz FCBZWXGNSXVEPX-XADBCAIWSA-N 1 2 293.331 -1.749 20 0 CAADLO Cn1nncc1C[NH2+]C/C=C/CNC(=O)Cc1nnc[nH]1 ZINC001268613767 775459830 /nfs/dbraw/zinc/45/98/30/775459830.db2.gz IAMCWRSJJVUFQA-NSCUHMNNSA-N 1 2 290.331 -1.062 20 0 CAADLO Cn1ncnc1C[NH2+]CC=CCNC(=O)Cc1nc[nH]n1 ZINC001268614572 775460060 /nfs/dbraw/zinc/46/00/60/775460060.db2.gz POAXZCQAWQQBDI-IHWYPQMZSA-N 1 2 290.331 -1.062 20 0 CAADLO NC(=O)NCCC(=O)NC/C=C\C[NH2+]Cc1cnon1 ZINC001268623335 775460341 /nfs/dbraw/zinc/46/03/41/775460341.db2.gz MFHKDAJUYYXAFE-UPHRSURJSA-N 1 2 282.304 -1.110 20 0 CAADLO C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2CCN2CCO)O1 ZINC001038398920 775465447 /nfs/dbraw/zinc/46/54/47/775465447.db2.gz JMYCGKDYYITSLB-IJLUTSLNSA-N 1 2 271.361 -1.112 20 0 CAADLO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2CCN2CCO)O1 ZINC001038398920 775465454 /nfs/dbraw/zinc/46/54/54/775465454.db2.gz JMYCGKDYYITSLB-IJLUTSLNSA-N 1 2 271.361 -1.112 20 0 CAADLO C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@@H]2CCN2CCO)O1 ZINC001038398917 775465589 /nfs/dbraw/zinc/46/55/89/775465589.db2.gz JMYCGKDYYITSLB-GRYCIOLGSA-N 1 2 271.361 -1.112 20 0 CAADLO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@@H]2CCN2CCO)O1 ZINC001038398917 775465595 /nfs/dbraw/zinc/46/55/95/775465595.db2.gz JMYCGKDYYITSLB-GRYCIOLGSA-N 1 2 271.361 -1.112 20 0 CAADLO Cc1ccc(OC[C@@H](O)C[NH2+]C(C(N)=O)C(N)=O)cc1 ZINC000710086514 775468730 /nfs/dbraw/zinc/46/87/30/775468730.db2.gz NOICWCGYEPBYMM-VIFPVBQESA-N 1 2 281.312 -1.336 20 0 CAADLO C[C@@H](C[NH2+]Cc1nnnn1C1CC1)NC(=O)C(N)=O ZINC001268699706 775469090 /nfs/dbraw/zinc/46/90/90/775469090.db2.gz ARNYERRDIVSXGS-LURJTMIESA-N 1 2 267.293 -1.912 20 0 CAADLO COCC(=O)N[C@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001268992682 775481339 /nfs/dbraw/zinc/48/13/39/775481339.db2.gz AQYPKEKUBADBSW-ZETCQYMHSA-N 1 2 258.278 -1.982 20 0 CAADLO CCCNC(=O)C[N@H+](C)C[C@H](C)NC(=O)C(N)=O ZINC001268743850 775471659 /nfs/dbraw/zinc/47/16/59/775471659.db2.gz WNHHOGYNNODNJB-QMMMGPOBSA-N 1 2 258.322 -1.566 20 0 CAADLO CCCNC(=O)C[N@@H+](C)C[C@H](C)NC(=O)C(N)=O ZINC001268743850 775471665 /nfs/dbraw/zinc/47/16/65/775471665.db2.gz WNHHOGYNNODNJB-QMMMGPOBSA-N 1 2 258.322 -1.566 20 0 CAADLO C[C@@H](C(N)=O)[NH+]1CC(CNC(=O)Cc2cc[nH]n2)C1 ZINC001268813799 775475654 /nfs/dbraw/zinc/47/56/54/775475654.db2.gz HJAXSRGSPBEJGH-QMMMGPOBSA-N 1 2 265.317 -1.126 20 0 CAADLO CN(CCC[NH2+]Cc1nnn(C)n1)C(=O)C(C)(C)C(N)=O ZINC001268798533 775475809 /nfs/dbraw/zinc/47/58/09/775475809.db2.gz LAQIGSNNOLYXPM-UHFFFAOYSA-N 1 2 297.363 -1.340 20 0 CAADLO C[C@@H](C(N)=O)[NH+]1CC(CNC(=O)CCCCNC(N)=O)C1 ZINC001268849722 775476756 /nfs/dbraw/zinc/47/67/56/775476756.db2.gz GRZGJOGQIABBIX-VIFPVBQESA-N 1 2 299.375 -1.253 20 0 CAADLO CC[C@@]1(C(=O)NCC2C[NH+](CC(=O)NC)C2)CCNC1=O ZINC001268837638 775477327 /nfs/dbraw/zinc/47/73/27/775477327.db2.gz AHIJORSZEPKCMF-CQSZACIVSA-N 1 2 296.371 -1.303 20 0 CAADLO CCNC(=O)C[NH+]1CC(CNC(=O)[C@]2(C)CCNC2=O)C1 ZINC001268879768 775478061 /nfs/dbraw/zinc/47/80/61/775478061.db2.gz VGROZWZGMHVPAH-CQSZACIVSA-N 1 2 296.371 -1.303 20 0 CAADLO CCNC(=O)C[NH+]1CC(CNC(=O)[C@@H]2CCN(C)C2=O)C1 ZINC001268862810 775479196 /nfs/dbraw/zinc/47/91/96/775479196.db2.gz PBDXHSIJSCQLLE-NSHDSACASA-N 1 2 296.371 -1.351 20 0 CAADLO CN(CCC[NH2+][C@@H]1CCNC1=O)C(=O)Cc1ncn[nH]1 ZINC001268911006 775480608 /nfs/dbraw/zinc/48/06/08/775480608.db2.gz DAOYGDCFJCFJPZ-SECBINFHSA-N 1 2 280.332 -1.326 20 0 CAADLO COCC(=O)N[C@H]1CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001268992682 775481333 /nfs/dbraw/zinc/48/13/33/775481333.db2.gz AQYPKEKUBADBSW-ZETCQYMHSA-N 1 2 258.278 -1.982 20 0 CAADLO CNC(=O)/C=C/C(=O)N1CC2(C1)C[NH+](CC(=O)N(C)C)C2 ZINC001268986982 775481711 /nfs/dbraw/zinc/48/17/11/775481711.db2.gz HCPDHIIJHZFICP-SNAWJCMRSA-N 1 2 294.355 -1.479 20 0 CAADLO CS(=O)(=O)CCC[N@@H+]1CC[C@H](NC(=O)CC(N)=O)C1 ZINC001269014077 775483387 /nfs/dbraw/zinc/48/33/87/775483387.db2.gz GFLMOUOSMRONMW-VIFPVBQESA-N 1 2 291.373 -1.513 20 0 CAADLO CS(=O)(=O)CCC[N@H+]1CC[C@H](NC(=O)CC(N)=O)C1 ZINC001269014077 775483395 /nfs/dbraw/zinc/48/33/95/775483395.db2.gz GFLMOUOSMRONMW-VIFPVBQESA-N 1 2 291.373 -1.513 20 0 CAADLO CN(C)C(=O)C(=O)N1C[C@@H](C(N)=O)[C@H](c2cn(C)c[nH+]2)C1 ZINC001269036067 775484183 /nfs/dbraw/zinc/48/41/83/775484183.db2.gz ZQLFPHZGAAFADR-RKDXNWHRSA-N 1 2 293.327 -1.464 20 0 CAADLO NC(=O)C(=O)N[C@@H](C[NH2+]Cc1ncccn1)C1CC1 ZINC001269110439 775490457 /nfs/dbraw/zinc/49/04/57/775490457.db2.gz MCAZQQLJLUDKRH-VIFPVBQESA-N 1 2 263.301 -1.054 20 0 CAADLO O=C(NC[C@@H]1CC[N@@H+]1CCN1C(=O)CNC1=O)C(F)F ZINC001269189412 775494547 /nfs/dbraw/zinc/49/45/47/775494547.db2.gz UOSDVAHKMNPJFH-ZETCQYMHSA-N 1 2 290.270 -1.006 20 0 CAADLO O=C(NC[C@@H]1CC[N@H+]1CCN1C(=O)CNC1=O)C(F)F ZINC001269189412 775494553 /nfs/dbraw/zinc/49/45/53/775494553.db2.gz UOSDVAHKMNPJFH-ZETCQYMHSA-N 1 2 290.270 -1.006 20 0 CAADLO NC(=O)CCCCC(=O)N[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001269187225 775495491 /nfs/dbraw/zinc/49/54/91/775495491.db2.gz OIEYRDWVRGRKBF-SECBINFHSA-N 1 2 270.333 -1.292 20 0 CAADLO NC(=O)CCCCC(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001269187225 775495498 /nfs/dbraw/zinc/49/54/98/775495498.db2.gz OIEYRDWVRGRKBF-SECBINFHSA-N 1 2 270.333 -1.292 20 0 CAADLO CCN(C)C(=O)C[N@@H+]1CC[C@@H]1CNC(=O)CC(N)=O ZINC001269211805 775496897 /nfs/dbraw/zinc/49/68/97/775496897.db2.gz WBEIHWYKNRVTDV-SECBINFHSA-N 1 2 270.333 -1.469 20 0 CAADLO CCN(C)C(=O)C[N@H+]1CC[C@@H]1CNC(=O)CC(N)=O ZINC001269211805 775496899 /nfs/dbraw/zinc/49/68/99/775496899.db2.gz WBEIHWYKNRVTDV-SECBINFHSA-N 1 2 270.333 -1.469 20 0 CAADLO Cc1noc(CCC[N@@H+]2CC[C@@H]2CNC(=O)C(N)=O)n1 ZINC001269286517 775500947 /nfs/dbraw/zinc/50/09/47/775500947.db2.gz OWVAVMCADFJATP-SECBINFHSA-N 1 2 281.316 -1.014 20 0 CAADLO Cc1noc(CCC[N@H+]2CC[C@@H]2CNC(=O)C(N)=O)n1 ZINC001269286517 775500955 /nfs/dbraw/zinc/50/09/55/775500955.db2.gz OWVAVMCADFJATP-SECBINFHSA-N 1 2 281.316 -1.014 20 0 CAADLO C[N@H+]1C[C@H]2C[C@@H](C1)N2C(=O)[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@H]1O ZINC001269302311 775501768 /nfs/dbraw/zinc/50/17/68/775501768.db2.gz QHVMALNDSKPSDK-SBRWNUOQSA-N 1 2 288.300 -3.299 20 0 CAADLO C[N@@H+]1C[C@H]2C[C@@H](C1)N2C(=O)[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@H]1O ZINC001269302311 775501776 /nfs/dbraw/zinc/50/17/76/775501776.db2.gz QHVMALNDSKPSDK-SBRWNUOQSA-N 1 2 288.300 -3.299 20 0 CAADLO CN1CC2(CN(C(=O)Cn3cc[nH+]c3)C2)OCC1=O ZINC001269299314 775502452 /nfs/dbraw/zinc/50/24/52/775502452.db2.gz DKISIBWDQPFXMV-UHFFFAOYSA-N 1 2 264.285 -1.047 20 0 CAADLO Cn1c[nH+]cc1CC(=O)NC[C@@H]1CCN1CC(N)=O ZINC001269333314 775503333 /nfs/dbraw/zinc/50/33/33/775503333.db2.gz VELAUIWITAHXMU-VIFPVBQESA-N 1 2 265.317 -1.362 20 0 CAADLO CC[C@H](CNC(=O)C(N)=O)[NH2+]Cc1ncccn1 ZINC001269460527 775507688 /nfs/dbraw/zinc/50/76/88/775507688.db2.gz JDPQIONYUGTESK-MRVPVSSYSA-N 1 2 251.290 -1.054 20 0 CAADLO Cn1ncc(C[NH2+]C2(CNC(=O)[C@H]3CCNC3=O)CC2)n1 ZINC001269464929 775508300 /nfs/dbraw/zinc/50/83/00/775508300.db2.gz QUIXMTUFAOACBY-JTQLQIEISA-N 1 2 292.343 -1.310 20 0 CAADLO NC(=O)C(=O)NCC1([NH2+]Cc2nnnn2C2CC2)CC1 ZINC001269480471 775509783 /nfs/dbraw/zinc/50/97/83/775509783.db2.gz MFNKVNFIRNTDHG-UHFFFAOYSA-N 1 2 279.304 -1.768 20 0 CAADLO Cn1cnnc1C[NH2+]C1(CNC(=O)C(N)=O)CC1 ZINC001269480368 775510563 /nfs/dbraw/zinc/51/05/63/775510563.db2.gz JFIRWCACFMOGFH-UHFFFAOYSA-N 1 2 252.278 -1.961 20 0 CAADLO CCn1ccnc1C(=O)NCC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001126417072 775511654 /nfs/dbraw/zinc/51/16/54/775511654.db2.gz DQVXHBBMXBNOLO-UHFFFAOYSA-N 1 2 293.331 -1.156 20 0 CAADLO CN(CCNC(=O)C(N)=O)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001284580755 775514366 /nfs/dbraw/zinc/51/43/66/775514366.db2.gz KCYZRAOTKCZSAS-HTQZYQBOSA-N 1 2 279.300 -1.427 20 0 CAADLO CN(CCNC(=O)C(N)=O)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001284580755 775514374 /nfs/dbraw/zinc/51/43/74/775514374.db2.gz KCYZRAOTKCZSAS-HTQZYQBOSA-N 1 2 279.300 -1.427 20 0 CAADLO NC(=O)[C@@]12C[C@@H]1CCN2C(=O)C[NH+](CCO)CCO ZINC001269618017 775515060 /nfs/dbraw/zinc/51/50/60/775515060.db2.gz CJGGHAUVABUXFK-JOYOIKCWSA-N 1 2 271.317 -2.251 20 0 CAADLO NC(=O)[C@]12C[C@H]1CCN2C(=O)C[NH+](CCO)CCO ZINC001269618018 775515152 /nfs/dbraw/zinc/51/51/52/775515152.db2.gz CJGGHAUVABUXFK-SKDRFNHKSA-N 1 2 271.317 -2.251 20 0 CAADLO CN(C(=O)[C@@H]1COC(=O)N1)C1C[NH+](CCOCCO)C1 ZINC001269781034 775517600 /nfs/dbraw/zinc/51/76/00/775517600.db2.gz ONGBUSQGMXUVPX-JTQLQIEISA-N 1 2 287.316 -1.754 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(N(C)C(=O)[C@]2(C)CCNC2=O)C1 ZINC001269849198 775517910 /nfs/dbraw/zinc/51/79/10/775517910.db2.gz KCIGXBXHLGRKJT-SMDDNHRTSA-N 1 2 299.371 -1.338 20 0 CAADLO COCCOCC[NH+]1CC(N(C)C(=O)[C@@H]2CCNC2=O)C1 ZINC001269832055 775518237 /nfs/dbraw/zinc/51/82/37/775518237.db2.gz NIKJWHVPPXGNDN-GFCCVEGCSA-N 1 2 299.371 -1.072 20 0 CAADLO CCCN(CCNC(=O)C(N)=O)C(=O)Cn1cc[nH+]c1 ZINC001284716259 775519738 /nfs/dbraw/zinc/51/97/38/775519738.db2.gz BJVBDYUDTAMEDO-UHFFFAOYSA-N 1 2 281.316 -1.277 20 0 CAADLO NC(=O)NCC(=O)N1CC2(CC[N@@H+]2CCn2ccnc2)C1 ZINC001270078620 775520843 /nfs/dbraw/zinc/52/08/43/775520843.db2.gz ABCCQBGSVJEKHP-UHFFFAOYSA-N 1 2 292.343 -1.162 20 0 CAADLO NC(=O)NCC(=O)N1CC2(CC[N@H+]2CCn2ccnc2)C1 ZINC001270078620 775520850 /nfs/dbraw/zinc/52/08/50/775520850.db2.gz ABCCQBGSVJEKHP-UHFFFAOYSA-N 1 2 292.343 -1.162 20 0 CAADLO NC(=O)NCC(=O)N1CC2(C1)C[NH+](Cc1cn[nH]c1)C2 ZINC001270073803 775521244 /nfs/dbraw/zinc/52/12/44/775521244.db2.gz JFRAYFQWGBTNKS-UHFFFAOYSA-N 1 2 278.316 -1.278 20 0 CAADLO C[NH+](C)CCN1C[C@H]2C[C@@H](C1)N(C(=O)Cc1nn[nH]n1)C2 ZINC001270182860 775525794 /nfs/dbraw/zinc/52/57/94/775525794.db2.gz MTAOAOHSIWZCKA-MNOVXSKESA-N 1 2 293.375 -1.164 20 0 CAADLO Cn1[nH]c(C[NH2+]CCNC(=O)C2CCC(O)CC2)nc1=O ZINC001126453793 775525889 /nfs/dbraw/zinc/52/58/89/775525889.db2.gz ZRPIAJGCGZZTJZ-UHFFFAOYSA-N 1 2 297.359 -1.135 20 0 CAADLO CC(C)(C(N)=O)C(=O)NC1CN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001284914246 775528112 /nfs/dbraw/zinc/52/81/12/775528112.db2.gz USKVCFIFAQCKMJ-UHFFFAOYSA-N 1 2 293.327 -1.209 20 0 CAADLO CN1CCO[C@H]2CN(C(=O)[C@H](CO)n3cc[nH+]c3)C[C@@H]21 ZINC001270398941 775530770 /nfs/dbraw/zinc/53/07/70/775530770.db2.gz IVWQZDNWXRBNLG-SRVKXCTJSA-N 1 2 280.328 -1.042 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)c2cc[nH]c(=O)c2)[C@@H](O)C1 ZINC001083401904 775537060 /nfs/dbraw/zinc/53/70/60/775537060.db2.gz DIIQZUXZQNOSLZ-SFGNSQDASA-N 1 2 294.311 -1.564 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)c2cc[nH]c(=O)c2)[C@@H](O)C1 ZINC001083401904 775537062 /nfs/dbraw/zinc/53/70/62/775537062.db2.gz DIIQZUXZQNOSLZ-SFGNSQDASA-N 1 2 294.311 -1.564 20 0 CAADLO O=C(N[C@@H]1C[N@@H+](CCF)C[C@@H]1O)[C@@H]1CCNC(=O)C1 ZINC001083403963 775538231 /nfs/dbraw/zinc/53/82/31/775538231.db2.gz SUCISIJFVMDSSN-BBBLOLIVSA-N 1 2 273.308 -1.357 20 0 CAADLO O=C(N[C@@H]1C[N@H+](CCF)C[C@@H]1O)[C@@H]1CCNC(=O)C1 ZINC001083403963 775538236 /nfs/dbraw/zinc/53/82/36/775538236.db2.gz SUCISIJFVMDSSN-BBBLOLIVSA-N 1 2 273.308 -1.357 20 0 CAADLO C[N@@H+]1CCO[C@H]2CN(C(=O)CCN3C(=O)C=CC3=O)C[C@@H]21 ZINC001270645355 775540094 /nfs/dbraw/zinc/54/00/94/775540094.db2.gz PEPYKGUKAVROMX-QWRGUYRKSA-N 1 2 293.323 -1.157 20 0 CAADLO C[N@H+]1CCO[C@H]2CN(C(=O)CCN3C(=O)C=CC3=O)C[C@@H]21 ZINC001270645355 775540099 /nfs/dbraw/zinc/54/00/99/775540099.db2.gz PEPYKGUKAVROMX-QWRGUYRKSA-N 1 2 293.323 -1.157 20 0 CAADLO Cn1nncc1C[N@@H+]1CC[C@@](C)(NC(=O)C(N)=O)C1 ZINC001270623634 775540240 /nfs/dbraw/zinc/54/02/40/775540240.db2.gz JCEGMLRSJUBQAI-LLVKDONJSA-N 1 2 266.305 -1.619 20 0 CAADLO Cn1nncc1C[N@H+]1CC[C@@](C)(NC(=O)C(N)=O)C1 ZINC001270623634 775540247 /nfs/dbraw/zinc/54/02/47/775540247.db2.gz JCEGMLRSJUBQAI-LLVKDONJSA-N 1 2 266.305 -1.619 20 0 CAADLO Cn1nncc1C[N@@H+]1CC[C@](C)(NC(=O)C(N)=O)C1 ZINC001270623637 775540387 /nfs/dbraw/zinc/54/03/87/775540387.db2.gz JCEGMLRSJUBQAI-NSHDSACASA-N 1 2 266.305 -1.619 20 0 CAADLO Cn1nncc1C[N@H+]1CC[C@](C)(NC(=O)C(N)=O)C1 ZINC001270623637 775540395 /nfs/dbraw/zinc/54/03/95/775540395.db2.gz JCEGMLRSJUBQAI-NSHDSACASA-N 1 2 266.305 -1.619 20 0 CAADLO CCn1ncc(C(=O)N2CC[C@H]3C[N@H+](CC(N)=O)C[C@H]32)n1 ZINC001075763401 775540592 /nfs/dbraw/zinc/54/05/92/775540592.db2.gz ZTMNWXVSOVUDLM-GXSJLCMTSA-N 1 2 292.343 -1.070 20 0 CAADLO CCn1ncc(C(=O)N2CC[C@H]3C[N@@H+](CC(N)=O)C[C@H]32)n1 ZINC001075763401 775540596 /nfs/dbraw/zinc/54/05/96/775540596.db2.gz ZTMNWXVSOVUDLM-GXSJLCMTSA-N 1 2 292.343 -1.070 20 0 CAADLO Cn1ccc(C(=O)N[C@@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@@H]2O)c1 ZINC001083406342 775541948 /nfs/dbraw/zinc/54/19/48/775541948.db2.gz CAQOYLYRCCVEJR-WOPDTQHZSA-N 1 2 292.339 -1.312 20 0 CAADLO Cn1ccc(C(=O)N[C@@H]2C[N@H+]([C@H]3CCNC3=O)C[C@@H]2O)c1 ZINC001083406342 775541953 /nfs/dbraw/zinc/54/19/53/775541953.db2.gz CAQOYLYRCCVEJR-WOPDTQHZSA-N 1 2 292.339 -1.312 20 0 CAADLO Cn1cc(CC[N@@H+]2CCO[C@H](CNC(=O)C(N)=O)C2)cn1 ZINC001270674778 775542241 /nfs/dbraw/zinc/54/22/41/775542241.db2.gz UVCGQFOESNRRGR-LLVKDONJSA-N 1 2 295.343 -1.735 20 0 CAADLO Cn1cc(CC[N@H+]2CCO[C@H](CNC(=O)C(N)=O)C2)cn1 ZINC001270674778 775542248 /nfs/dbraw/zinc/54/22/48/775542248.db2.gz UVCGQFOESNRRGR-LLVKDONJSA-N 1 2 295.343 -1.735 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)c2ccn(C)c2)[C@@H](O)C1 ZINC001083406035 775542506 /nfs/dbraw/zinc/54/25/06/775542506.db2.gz NSXXQJWBSMLVJB-JLLWLGSASA-N 1 2 294.355 -1.066 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2ccn(C)c2)[C@@H](O)C1 ZINC001083406035 775542515 /nfs/dbraw/zinc/54/25/15/775542515.db2.gz NSXXQJWBSMLVJB-JLLWLGSASA-N 1 2 294.355 -1.066 20 0 CAADLO NC(=O)c1nnc2n1CCN(C(=O)Cc1c[nH+]c[nH]1)C2 ZINC001270783082 775544930 /nfs/dbraw/zinc/54/49/30/775544930.db2.gz NVEQFBUTMACOIN-UHFFFAOYSA-N 1 2 275.272 -1.315 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)Cc2cccnc2)[C@@H](O)C1 ZINC001083408609 775548961 /nfs/dbraw/zinc/54/89/61/775548961.db2.gz SRTDSFKLRIPFGN-JLLWLGSASA-N 1 2 292.339 -1.341 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)Cc2cccnc2)[C@@H](O)C1 ZINC001083408609 775548964 /nfs/dbraw/zinc/54/89/64/775548964.db2.gz SRTDSFKLRIPFGN-JLLWLGSASA-N 1 2 292.339 -1.341 20 0 CAADLO CO[C@@H](C(=O)NCC[NH2+]Cc1nc(=O)n(C)[nH]1)C1CC1 ZINC001126486619 775548986 /nfs/dbraw/zinc/54/89/86/775548986.db2.gz DWZVPBLFHWJDAD-SNVBAGLBSA-N 1 2 283.332 -1.261 20 0 CAADLO Cn1nncc1C(=O)NCC[NH2+]Cc1cnon1 ZINC001126529392 775560203 /nfs/dbraw/zinc/56/02/03/775560203.db2.gz WJYBMQHULHMGMF-UHFFFAOYSA-N 1 2 251.250 -1.282 20 0 CAADLO CC(=O)NC[C@@]1(O)CC[N@@H+](Cc2nc(=O)n(C)[nH]2)C1 ZINC001271109421 775566532 /nfs/dbraw/zinc/56/65/32/775566532.db2.gz KONUUIMHIITJRD-NSHDSACASA-N 1 2 269.305 -1.819 20 0 CAADLO CC(=O)NC[C@@]1(O)CC[N@H+](Cc2nc(=O)n(C)[nH]2)C1 ZINC001271109421 775566537 /nfs/dbraw/zinc/56/65/37/775566537.db2.gz KONUUIMHIITJRD-NSHDSACASA-N 1 2 269.305 -1.819 20 0 CAADLO C[C@H](C[NH2+]Cc1nnnn1C1CC1)N(C)C(=O)C(N)=O ZINC001271084241 775567044 /nfs/dbraw/zinc/56/70/44/775567044.db2.gz URVSMESUMFJRLU-SSDOTTSWSA-N 1 2 281.320 -1.570 20 0 CAADLO COC[C@H](C)C(=O)NCC1(O)C[NH+](C[C@@H](C)O)C1 ZINC001271262726 775597738 /nfs/dbraw/zinc/59/77/38/775597738.db2.gz OJINEIAEJKZMPW-VHSXEESVSA-N 1 2 260.334 -1.187 20 0 CAADLO C[C@H](CC(N)=O)NS(=O)(=O)N1CC[NH+](C)CC1 ZINC001211877542 775568083 /nfs/dbraw/zinc/56/80/83/775568083.db2.gz BHEXYNKHRMOKRL-MRVPVSSYSA-N 1 2 264.351 -1.668 20 0 CAADLO CN(C)c1noc(C[NH2+]CCNC(=O)c2cnnn2C)n1 ZINC001126540659 775568422 /nfs/dbraw/zinc/56/84/22/775568422.db2.gz BLBGCZBRJMWYNV-UHFFFAOYSA-N 1 2 294.319 -1.216 20 0 CAADLO C[C@@H](CC(N)=O)NS(=O)(=O)N1CC[NH+](C)CC1 ZINC001211877547 775569133 /nfs/dbraw/zinc/56/91/33/775569133.db2.gz BHEXYNKHRMOKRL-QMMMGPOBSA-N 1 2 264.351 -1.668 20 0 CAADLO NC(=O)C[NH2+]Cc1cn([C@@H]2CCN(C(=O)C(N)=O)C2)nn1 ZINC001098705440 775572571 /nfs/dbraw/zinc/57/25/71/775572571.db2.gz FIMZLJKNGPETNI-MRVPVSSYSA-N 1 2 295.303 -2.888 20 0 CAADLO O=C(NCC[NH2+]Cc1csnn1)[C@H]1COC(=O)N1 ZINC001126547834 775576486 /nfs/dbraw/zinc/57/64/86/775576486.db2.gz BFZHVLQHQVFFNH-SSDOTTSWSA-N 1 2 271.302 -1.148 20 0 CAADLO Cc1noc(C[NH2+]CCNC(=O)[C@@H]2COC(=O)N2)n1 ZINC001126548876 775577003 /nfs/dbraw/zinc/57/70/03/775577003.db2.gz UZCFBSRGXMXIKX-ZETCQYMHSA-N 1 2 269.261 -1.308 20 0 CAADLO O=C(NCC[NH2+]Cc1cnsn1)[C@H]1COC(=O)N1 ZINC001126548806 775578212 /nfs/dbraw/zinc/57/82/12/775578212.db2.gz STGJFTTTYRYNMM-SSDOTTSWSA-N 1 2 271.302 -1.148 20 0 CAADLO Cc1nonc1C[NH2+]CCNC(=O)[C@H]1COC(=O)N1 ZINC001126548654 775578341 /nfs/dbraw/zinc/57/83/41/775578341.db2.gz QWLCVOSLLYHSFY-MRVPVSSYSA-N 1 2 269.261 -1.308 20 0 CAADLO O=C(NCC[NH2+]Cc1cnon1)[C@H]1COC(=O)N1 ZINC001126553798 775582329 /nfs/dbraw/zinc/58/23/29/775582329.db2.gz LQKQDOMUWXMEJG-SSDOTTSWSA-N 1 2 255.234 -1.616 20 0 CAADLO O=C(NCC[NH2+]Cc1cnon1)[C@@H]1COC(=O)N1 ZINC001126553801 775582363 /nfs/dbraw/zinc/58/23/63/775582363.db2.gz LQKQDOMUWXMEJG-ZETCQYMHSA-N 1 2 255.234 -1.616 20 0 CAADLO Cc1nc(N(C)C)nc(N[C@H]2C[C@H](NC(=O)C(N)=O)C2)[nH+]1 ZINC001059393709 775584479 /nfs/dbraw/zinc/58/44/79/775584479.db2.gz FLHKGDMEFCEZDO-ZKCHVHJHSA-N 1 2 293.331 -1.210 20 0 CAADLO C[C@@H]([NH2+]C[C@H](C)N(C)C(=O)Cc1ncn[nH]1)C(N)=O ZINC001271162134 775584761 /nfs/dbraw/zinc/58/47/61/775584761.db2.gz IYMVBZRAKVPVTK-JGVFFNPUSA-N 1 2 268.321 -1.343 20 0 CAADLO Cn1ncc2c1nc[nH+]c2N[C@H]1C[C@H](NC(=O)C(N)=O)C1 ZINC001059393698 775584789 /nfs/dbraw/zinc/58/47/89/775584789.db2.gz DUFUOLDZZOBLEP-LJGSYFOKSA-N 1 2 289.299 -1.092 20 0 CAADLO O=C(NC[C@@H]1CC[N@@H+]1CCN1CCNC1=O)c1cn[nH]n1 ZINC001038451000 775585302 /nfs/dbraw/zinc/58/53/02/775585302.db2.gz NKZVGTBJUYGAFV-VIFPVBQESA-N 1 2 293.331 -1.366 20 0 CAADLO O=C(NC[C@@H]1CC[N@H+]1CCN1CCNC1=O)c1cn[nH]n1 ZINC001038451000 775585308 /nfs/dbraw/zinc/58/53/08/775585308.db2.gz NKZVGTBJUYGAFV-VIFPVBQESA-N 1 2 293.331 -1.366 20 0 CAADLO NC(=O)C(=O)N1CC[C@@H](n2cc(C[NH2+]CCF)nn2)C1 ZINC001098710898 775587068 /nfs/dbraw/zinc/58/70/68/775587068.db2.gz NRFXCRFDSQHEKF-SECBINFHSA-N 1 2 284.295 -1.404 20 0 CAADLO NC(=O)C1=NO[C@@H]2CN(C(=O)[C@H](CO)n3cc[nH+]c3)C[C@H]12 ZINC001271175969 775590097 /nfs/dbraw/zinc/59/00/97/775590097.db2.gz BZRAYSKFMQSVPI-XHNCKOQMSA-N 1 2 293.283 -1.885 20 0 CAADLO NC(=O)[C@@]12C[C@@H]1CN(C(=O)[C@@H](CO)n1cc[nH+]c1)C2 ZINC001271175803 775591477 /nfs/dbraw/zinc/59/14/77/775591477.db2.gz AFAYHJLWCKESQI-KBVBSXBZSA-N 1 2 264.285 -1.250 20 0 CAADLO Cc1nnc(C[N@@H+]2CC[C@@](O)(CNC(=O)C(N)=O)C2)o1 ZINC001271185431 775592282 /nfs/dbraw/zinc/59/22/82/775592282.db2.gz ZFKPIKGZZKDVNH-LLVKDONJSA-N 1 2 283.288 -2.084 20 0 CAADLO Cc1nnc(C[N@H+]2CC[C@@](O)(CNC(=O)C(N)=O)C2)o1 ZINC001271185431 775592294 /nfs/dbraw/zinc/59/22/94/775592294.db2.gz ZFKPIKGZZKDVNH-LLVKDONJSA-N 1 2 283.288 -2.084 20 0 CAADLO NC(=O)[C@@]12C[C@@H]1CCN2C(=O)[C@H](Cc1c[nH]c[nH+]1)NC=O ZINC001271194235 775594160 /nfs/dbraw/zinc/59/41/60/775594160.db2.gz HDWDQXTVGVYYNP-GMOODISLSA-N 1 2 291.311 -1.457 20 0 CAADLO NC(=O)[C@@]12C[C@@H]1CCN2C(=O)[C@H](Cc1c[nH+]c[nH]1)NC=O ZINC001271194235 775594168 /nfs/dbraw/zinc/59/41/68/775594168.db2.gz HDWDQXTVGVYYNP-GMOODISLSA-N 1 2 291.311 -1.457 20 0 CAADLO COCCOC[C@H](O)C[NH+]1CC(O)(CNC(C)=O)C1 ZINC001271229254 775594257 /nfs/dbraw/zinc/59/42/57/775594257.db2.gz SGSYSILMBGTHEZ-LLVKDONJSA-N 1 2 276.333 -1.807 20 0 CAADLO CCCC(=O)NCC1(O)C[NH+](C[C@H](O)COC)C1 ZINC001271235202 775594522 /nfs/dbraw/zinc/59/45/22/775594522.db2.gz CFGCSMKFMPKYAI-JTQLQIEISA-N 1 2 260.334 -1.043 20 0 CAADLO C[C@@H](O)C[NH+]1CC(O)(CNC(=O)c2cocn2)C1 ZINC001271262368 775596052 /nfs/dbraw/zinc/59/60/52/775596052.db2.gz HKGVPXQAJSLKIF-MRVPVSSYSA-N 1 2 255.274 -1.168 20 0 CAADLO C[C@@H](F)CC[NH+]1CC(O)(CNC(=O)CC(N)=O)C1 ZINC001271262791 775597702 /nfs/dbraw/zinc/59/77/02/775597702.db2.gz QRDVNPUZXZGRFD-MRVPVSSYSA-N 1 2 261.297 -1.227 20 0 CAADLO CCOCC[NH+]1CC(O)(CNC(=O)[C@@H]2COC(=O)N2)C1 ZINC001271275860 775598617 /nfs/dbraw/zinc/59/86/17/775598617.db2.gz GRYFEJRLQWCHTD-VIFPVBQESA-N 1 2 287.316 -1.706 20 0 CAADLO O=C(CO)N1C[C@@H]2[C@H](C1)OCCN2CCn1cc[nH+]c1 ZINC001271274788 775598853 /nfs/dbraw/zinc/59/88/53/775598853.db2.gz JRHWEKKCNFUMQQ-NEPJUHHUSA-N 1 2 280.328 -1.213 20 0 CAADLO Cn1c[nH+]c([C@@H]2CN(C(=O)CCO)C[C@H]2C(N)=O)c1 ZINC001271281248 775600040 /nfs/dbraw/zinc/60/00/40/775600040.db2.gz VYAHNVNBULZDRE-RKDXNWHRSA-N 1 2 266.301 -1.170 20 0 CAADLO CC(C)=CC[NH+]1CC(O)(CNC(=O)Cn2ncnn2)C1 ZINC001271281804 775600080 /nfs/dbraw/zinc/60/00/80/775600080.db2.gz HZQKZIWVCLWJLN-UHFFFAOYSA-N 1 2 280.332 -1.198 20 0 CAADLO NC(=O)CC(=O)NC[C@@H]1CCN1C(=O)CCc1[nH]cc[nH+]1 ZINC001285850095 775600252 /nfs/dbraw/zinc/60/02/52/775600252.db2.gz VSGGSGCOWOWGNV-VIFPVBQESA-N 1 2 293.327 -1.065 20 0 CAADLO CCOCC[NH+]1CC(O)(CNC(=O)C[C@@H]2CCNC2=O)C1 ZINC001271298046 775602033 /nfs/dbraw/zinc/60/20/33/775602033.db2.gz SUZWTGYMHNEMKZ-NSHDSACASA-N 1 2 299.371 -1.288 20 0 CAADLO CN1CC[C@H](C(=O)NCC2(O)C[NH+](CCCF)C2)C1=O ZINC001271343650 775603242 /nfs/dbraw/zinc/60/32/42/775603242.db2.gz QULQWMRJOJMGMU-SNVBAGLBSA-N 1 2 287.335 -1.013 20 0 CAADLO CC[NH+]1CC(O)(CNC(=O)[C@@H]2CCN(C)C2=O)C1 ZINC001271343936 775604178 /nfs/dbraw/zinc/60/41/78/775604178.db2.gz WJCPLOIZAPAOCN-VIFPVBQESA-N 1 2 255.318 -1.353 20 0 CAADLO CCOCC[NH+]1CC(O)(CNC(=O)[C@]2(C)CCNC2=O)C1 ZINC001271356096 775604414 /nfs/dbraw/zinc/60/44/14/775604414.db2.gz AWCXWQIWBVYBSM-CYBMUJFWSA-N 1 2 299.371 -1.288 20 0 CAADLO C[C@H]1CC[C@H](C[NH+]2CC(O)(CNC(=O)C(N)=O)C2)O1 ZINC001271351408 775604751 /nfs/dbraw/zinc/60/47/51/775604751.db2.gz XHDASYNCGHIEHJ-DTWKUNHWSA-N 1 2 271.317 -1.798 20 0 CAADLO O=C(NCC1(O)C[NH+](CC2CC2)C1)c1nnc[nH]1 ZINC001271367727 775605523 /nfs/dbraw/zinc/60/55/23/775605523.db2.gz CUGFTIQXVAUZMJ-UHFFFAOYSA-N 1 2 251.290 -1.009 20 0 CAADLO Cn1cnnc1C[N@@H+]1CC[C@@H]2CN(C(=O)C(N)=O)C[C@@H]2C1 ZINC001088087170 775605621 /nfs/dbraw/zinc/60/56/21/775605621.db2.gz LJSUZIRMKJNBJP-ZJUUUORDSA-N 1 2 292.343 -1.419 20 0 CAADLO Cn1cnnc1C[N@H+]1CC[C@@H]2CN(C(=O)C(N)=O)C[C@@H]2C1 ZINC001088087170 775605632 /nfs/dbraw/zinc/60/56/32/775605632.db2.gz LJSUZIRMKJNBJP-ZJUUUORDSA-N 1 2 292.343 -1.419 20 0 CAADLO CC[NH+]1CC(O)(CNC(=O)C(=O)NCC2CC2)C1 ZINC001271373739 775605821 /nfs/dbraw/zinc/60/58/21/775605821.db2.gz FONKQNUGRRGMPP-UHFFFAOYSA-N 1 2 255.318 -1.305 20 0 CAADLO Cn1ncc(C[N@@H+]2CC[C@@H]3CN(C(=O)C(N)=O)C[C@@H]3C2)n1 ZINC001088088262 775605898 /nfs/dbraw/zinc/60/58/98/775605898.db2.gz LQOJEKPWEFKEIF-ZJUUUORDSA-N 1 2 292.343 -1.419 20 0 CAADLO Cn1ncc(C[N@H+]2CC[C@@H]3CN(C(=O)C(N)=O)C[C@@H]3C2)n1 ZINC001088088262 775605906 /nfs/dbraw/zinc/60/59/06/775605906.db2.gz LQOJEKPWEFKEIF-ZJUUUORDSA-N 1 2 292.343 -1.419 20 0 CAADLO Cn1ncnc1C[N@@H+]1CC[C@@H]2CN(C(=O)C(N)=O)C[C@@H]2C1 ZINC001088088413 775606140 /nfs/dbraw/zinc/60/61/40/775606140.db2.gz SLCZQOUUOUNEQB-ZJUUUORDSA-N 1 2 292.343 -1.419 20 0 CAADLO Cn1ncnc1C[N@H+]1CC[C@@H]2CN(C(=O)C(N)=O)C[C@@H]2C1 ZINC001088088413 775606141 /nfs/dbraw/zinc/60/61/41/775606141.db2.gz SLCZQOUUOUNEQB-ZJUUUORDSA-N 1 2 292.343 -1.419 20 0 CAADLO CCOCCC[NH+]1CC(O)(CNC(=O)Cn2cncn2)C1 ZINC001271388430 775606197 /nfs/dbraw/zinc/60/61/97/775606197.db2.gz XCPBAGNSGUEXSB-UHFFFAOYSA-N 1 2 297.359 -1.132 20 0 CAADLO NC(=O)C(=O)N1C[C@@H]2C[N@@H+](Cc3cnon3)CC[C@@H]2C1 ZINC001088088727 775607708 /nfs/dbraw/zinc/60/77/08/775607708.db2.gz JHFUOHKWBXNFFE-BDAKNGLRSA-N 1 2 279.300 -1.165 20 0 CAADLO NC(=O)C(=O)N1C[C@@H]2C[N@H+](Cc3cnon3)CC[C@@H]2C1 ZINC001088088727 775607712 /nfs/dbraw/zinc/60/77/12/775607712.db2.gz JHFUOHKWBXNFFE-BDAKNGLRSA-N 1 2 279.300 -1.165 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)C2=CCOCC2)[C@@H](O)C1 ZINC001083423693 775611999 /nfs/dbraw/zinc/61/19/99/775611999.db2.gz HWULEMNOWYMFQU-GDPRMGEGSA-N 1 2 283.328 -1.632 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)C2=CCOCC2)[C@@H](O)C1 ZINC001083423693 775612005 /nfs/dbraw/zinc/61/20/05/775612005.db2.gz HWULEMNOWYMFQU-GDPRMGEGSA-N 1 2 283.328 -1.632 20 0 CAADLO CC[C@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)C2=CCOCC2)[C@@H](O)C1 ZINC001083423616 775612370 /nfs/dbraw/zinc/61/23/70/775612370.db2.gz FNBGBEATCNCKSO-UTUOFQBUSA-N 1 2 297.355 -1.242 20 0 CAADLO CC[C@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)C2=CCOCC2)[C@@H](O)C1 ZINC001083423616 775612377 /nfs/dbraw/zinc/61/23/77/775612377.db2.gz FNBGBEATCNCKSO-UTUOFQBUSA-N 1 2 297.355 -1.242 20 0 CAADLO CNC(=O)C(=O)N1CC2(C1)C[NH+](CC(=O)N(C)C)C2 ZINC001271531004 775613308 /nfs/dbraw/zinc/61/33/08/775613308.db2.gz XVMPDTJMJYZUPK-UHFFFAOYSA-N 1 2 268.317 -2.035 20 0 CAADLO CNC(=O)C(=O)N1CC2(CCN2CCn2cc[nH+]c2)C1 ZINC001271533576 775614766 /nfs/dbraw/zinc/61/47/66/775614766.db2.gz NFMHQROYCHAPMH-UHFFFAOYSA-N 1 2 277.328 -1.084 20 0 CAADLO COCCC[N@@H+]1CCOC[C@H]1CNC(=O)[C@@H]1CCNC1=O ZINC001280412530 775617740 /nfs/dbraw/zinc/61/77/40/775617740.db2.gz OYFJLSYARNNQGR-VXGBXAGGSA-N 1 2 299.371 -1.024 20 0 CAADLO COCCC[N@H+]1CCOC[C@H]1CNC(=O)[C@@H]1CCNC1=O ZINC001280412530 775617746 /nfs/dbraw/zinc/61/77/46/775617746.db2.gz OYFJLSYARNNQGR-VXGBXAGGSA-N 1 2 299.371 -1.024 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)Cc2ccoc2)[C@@H](O)C1 ZINC001083424514 775619728 /nfs/dbraw/zinc/61/97/28/775619728.db2.gz VOQZXZYKHPVCSI-GDPRMGEGSA-N 1 2 281.312 -1.143 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)Cc2ccoc2)[C@@H](O)C1 ZINC001083424514 775619733 /nfs/dbraw/zinc/61/97/33/775619733.db2.gz VOQZXZYKHPVCSI-GDPRMGEGSA-N 1 2 281.312 -1.143 20 0 CAADLO Cn1c[nH+]c([C@@H]2CN(C(=O)CO)C[C@H]2C(N)=O)c1 ZINC001271960832 775634238 /nfs/dbraw/zinc/63/42/38/775634238.db2.gz YVZZODYTZXBWBA-HTQZYQBOSA-N 1 2 252.274 -1.560 20 0 CAADLO CN(CC[N@H+](C)CC(N)=O)C(=O)Cc1cnn(C)c1 ZINC001271977717 775635589 /nfs/dbraw/zinc/63/55/89/775635589.db2.gz UHDJVXQQXYVVID-UHFFFAOYSA-N 1 2 267.333 -1.162 20 0 CAADLO CN(CC[N@@H+](C)CC(N)=O)C(=O)Cc1cnn(C)c1 ZINC001271977717 775635600 /nfs/dbraw/zinc/63/56/00/775635600.db2.gz UHDJVXQQXYVVID-UHFFFAOYSA-N 1 2 267.333 -1.162 20 0 CAADLO CN(CC[N@H+](C)CC(N)=O)C(=O)Cn1cccn1 ZINC001271962858 775636030 /nfs/dbraw/zinc/63/60/30/775636030.db2.gz QPSSZFNIZTYHHQ-UHFFFAOYSA-N 1 2 253.306 -1.241 20 0 CAADLO CN(CC[N@@H+](C)CC(N)=O)C(=O)Cn1cccn1 ZINC001271962858 775636032 /nfs/dbraw/zinc/63/60/32/775636032.db2.gz QPSSZFNIZTYHHQ-UHFFFAOYSA-N 1 2 253.306 -1.241 20 0 CAADLO O=C(Cn1nccn1)N[C@@H](CO)Cc1c[nH]c[nH+]1 ZINC001142195067 775636811 /nfs/dbraw/zinc/63/68/11/775636811.db2.gz OFUNUEALVPYCRT-SECBINFHSA-N 1 2 250.262 -1.279 20 0 CAADLO O=C(Cn1nccn1)N[C@@H](CO)Cc1c[nH+]c[nH]1 ZINC001142195067 775636815 /nfs/dbraw/zinc/63/68/15/775636815.db2.gz OFUNUEALVPYCRT-SECBINFHSA-N 1 2 250.262 -1.279 20 0 CAADLO CC(=O)N[C@H]1CC[N@H+](CC(=O)N2CCNC(=O)C2)[C@@H]1C ZINC001088436184 775637512 /nfs/dbraw/zinc/63/75/12/775637512.db2.gz CIGZVMGQXAKIES-KOLCDFICSA-N 1 2 282.344 -1.456 20 0 CAADLO CC(=O)N[C@H]1CC[N@@H+](CC(=O)N2CCNC(=O)C2)[C@@H]1C ZINC001088436184 775637517 /nfs/dbraw/zinc/63/75/17/775637517.db2.gz CIGZVMGQXAKIES-KOLCDFICSA-N 1 2 282.344 -1.456 20 0 CAADLO C[C@@H]1[C@@H](NC(=O)[C@H]2CCC(=O)N2)CC[N@@H+]1CC(N)=O ZINC001088495447 775640087 /nfs/dbraw/zinc/64/00/87/775640087.db2.gz UJOVZHCPYGJRGH-HRDYMLBCSA-N 1 2 268.317 -1.671 20 0 CAADLO C[C@@H]1[C@@H](NC(=O)[C@H]2CCC(=O)N2)CC[N@H+]1CC(N)=O ZINC001088495447 775640093 /nfs/dbraw/zinc/64/00/93/775640093.db2.gz UJOVZHCPYGJRGH-HRDYMLBCSA-N 1 2 268.317 -1.671 20 0 CAADLO Cc1c(C(=O)N[C@H]2CC[N@H+](CC(N)=O)[C@@H]2C)nnn1C ZINC001088503464 775641569 /nfs/dbraw/zinc/64/15/69/775641569.db2.gz IURKOZFGGYQXMY-APPZFPTMSA-N 1 2 280.332 -1.199 20 0 CAADLO Cc1c(C(=O)N[C@H]2CC[N@@H+](CC(N)=O)[C@@H]2C)nnn1C ZINC001088503464 775641590 /nfs/dbraw/zinc/64/15/90/775641590.db2.gz IURKOZFGGYQXMY-APPZFPTMSA-N 1 2 280.332 -1.199 20 0 CAADLO C[C@@H]1[C@@H](NC(=O)[C@@H]2COCCN2C)CC[N@@H+]1CC(N)=O ZINC001088531915 775643857 /nfs/dbraw/zinc/64/38/57/775643857.db2.gz VHMDEVCKALKMHK-VWYCJHECSA-N 1 2 284.360 -1.619 20 0 CAADLO C[C@@H]1[C@@H](NC(=O)[C@@H]2COCCN2C)CC[N@H+]1CC(N)=O ZINC001088531915 775643867 /nfs/dbraw/zinc/64/38/67/775643867.db2.gz VHMDEVCKALKMHK-VWYCJHECSA-N 1 2 284.360 -1.619 20 0 CAADLO C[C@@H]1[C@@H](NC(=O)c2cc(=O)n(C)o2)CC[N@@H+]1CC(N)=O ZINC001088543394 775644944 /nfs/dbraw/zinc/64/49/44/775644944.db2.gz ARKWKTLQDJFPPI-SFYZADRCSA-N 1 2 282.300 -1.344 20 0 CAADLO C[C@@H]1[C@@H](NC(=O)c2cc(=O)n(C)o2)CC[N@H+]1CC(N)=O ZINC001088543394 775644949 /nfs/dbraw/zinc/64/49/49/775644949.db2.gz ARKWKTLQDJFPPI-SFYZADRCSA-N 1 2 282.300 -1.344 20 0 CAADLO C[C@@H]1[C@@H](NC(=O)c2cnn(C)c2N)CC[N@@H+]1CC(N)=O ZINC001088538247 775645280 /nfs/dbraw/zinc/64/52/80/775645280.db2.gz OSSDWNNLGLZKJA-APPZFPTMSA-N 1 2 280.332 -1.320 20 0 CAADLO C[C@@H]1[C@@H](NC(=O)c2cnn(C)c2N)CC[N@H+]1CC(N)=O ZINC001088538247 775645287 /nfs/dbraw/zinc/64/52/87/775645287.db2.gz OSSDWNNLGLZKJA-APPZFPTMSA-N 1 2 280.332 -1.320 20 0 CAADLO Cn1cc(C(=O)NCC[NH2+]Cc2nc(=O)n(C)[nH]2)nn1 ZINC001126667656 775645583 /nfs/dbraw/zinc/64/55/83/775645583.db2.gz NXFLIAVSFLHBHR-UHFFFAOYSA-N 1 2 280.292 -2.244 20 0 CAADLO C[C@@H]1[C@@H](NC(=O)c2ncn(C)n2)CC[N@@H+]1CC(N)=O ZINC001088553805 775650947 /nfs/dbraw/zinc/65/09/47/775650947.db2.gz AWXUTVWWTGSNDM-SFYZADRCSA-N 1 2 266.305 -1.507 20 0 CAADLO C[C@@H]1[C@@H](NC(=O)c2ncn(C)n2)CC[N@H+]1CC(N)=O ZINC001088553805 775650950 /nfs/dbraw/zinc/65/09/50/775650950.db2.gz AWXUTVWWTGSNDM-SFYZADRCSA-N 1 2 266.305 -1.507 20 0 CAADLO C[N@H+]1CCO[C@@H](C(=O)NC23CC(C(N)=O)(C2)C3)C1 ZINC001272060347 775652686 /nfs/dbraw/zinc/65/26/86/775652686.db2.gz SMRRBQWIEISNSQ-HUUUCTMMSA-N 1 2 253.302 -1.159 20 0 CAADLO C[N@@H+]1CCO[C@@H](C(=O)NC23CC(C(N)=O)(C2)C3)C1 ZINC001272060347 775652682 /nfs/dbraw/zinc/65/26/82/775652682.db2.gz SMRRBQWIEISNSQ-HUUUCTMMSA-N 1 2 253.302 -1.159 20 0 CAADLO C[N@@H+]1CCO[C@@H](C(=O)N2CCc3n[nH]c(C(N)=O)c3C2)C1 ZINC001272060380 775652772 /nfs/dbraw/zinc/65/27/72/775652772.db2.gz SQMHYFKTBXWUHF-SNVBAGLBSA-N 1 2 293.327 -1.276 20 0 CAADLO C[N@H+]1CCO[C@@H](C(=O)N2CCc3n[nH]c(C(N)=O)c3C2)C1 ZINC001272060380 775652776 /nfs/dbraw/zinc/65/27/76/775652776.db2.gz SQMHYFKTBXWUHF-SNVBAGLBSA-N 1 2 293.327 -1.276 20 0 CAADLO C[N@@H+]1CCO[C@H](C(=O)N2CC[C@@H]3C[C@@]32C(N)=O)C1 ZINC001272060849 775653062 /nfs/dbraw/zinc/65/30/62/775653062.db2.gz WCRJQYNIGSMYIT-PTRXPTGYSA-N 1 2 253.302 -1.207 20 0 CAADLO C[N@H+]1CCO[C@H](C(=O)N2CC[C@@H]3C[C@@]32C(N)=O)C1 ZINC001272060849 775653068 /nfs/dbraw/zinc/65/30/68/775653068.db2.gz WCRJQYNIGSMYIT-PTRXPTGYSA-N 1 2 253.302 -1.207 20 0 CAADLO NC(=O)C(=O)NCC[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001059867431 775655040 /nfs/dbraw/zinc/65/50/40/775655040.db2.gz OEIOGRXZYHBFBF-JTQLQIEISA-N 1 2 293.327 -1.277 20 0 CAADLO NC(=O)C(=O)NCC[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001059867432 775655270 /nfs/dbraw/zinc/65/52/70/775655270.db2.gz OEIOGRXZYHBFBF-SNVBAGLBSA-N 1 2 293.327 -1.277 20 0 CAADLO CC(=O)N1CC(C(=O)N[C@@H]2C[N@H+]([C@@H](C)C(N)=O)C[C@@H]2O)C1 ZINC001083430984 775657966 /nfs/dbraw/zinc/65/79/66/775657966.db2.gz YUWLKPRZOYQQKL-XROYCOCOSA-N 1 2 298.343 -2.500 20 0 CAADLO CC(=O)N1CC(C(=O)N[C@@H]2C[N@@H+]([C@@H](C)C(N)=O)C[C@@H]2O)C1 ZINC001083430984 775657975 /nfs/dbraw/zinc/65/79/75/775657975.db2.gz YUWLKPRZOYQQKL-XROYCOCOSA-N 1 2 298.343 -2.500 20 0 CAADLO CC(=O)N1CC(C(=O)N[C@@H]2C[N@H+]([C@H](C)C(N)=O)C[C@@H]2O)C1 ZINC001083430983 775659001 /nfs/dbraw/zinc/65/90/01/775659001.db2.gz YUWLKPRZOYQQKL-ONOSFVFSSA-N 1 2 298.343 -2.500 20 0 CAADLO CC(=O)N1CC(C(=O)N[C@@H]2C[N@@H+]([C@H](C)C(N)=O)C[C@@H]2O)C1 ZINC001083430983 775659006 /nfs/dbraw/zinc/65/90/06/775659006.db2.gz YUWLKPRZOYQQKL-ONOSFVFSSA-N 1 2 298.343 -2.500 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)Cc2ccnn2C)[C@@H](O)C1 ZINC001083431942 775660739 /nfs/dbraw/zinc/66/07/39/775660739.db2.gz UKEBEPQKRCVPGO-GDPRMGEGSA-N 1 2 295.343 -2.002 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)Cc2ccnn2C)[C@@H](O)C1 ZINC001083431942 775660742 /nfs/dbraw/zinc/66/07/42/775660742.db2.gz UKEBEPQKRCVPGO-GDPRMGEGSA-N 1 2 295.343 -2.002 20 0 CAADLO CO[C@@H](C)C(=O)N[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]1OC ZINC001211956527 775661623 /nfs/dbraw/zinc/66/16/23/775661623.db2.gz CNQXOKMXOWIIEM-HBNTYKKESA-N 1 2 287.360 -1.075 20 0 CAADLO CO[C@@H](C)C(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1OC ZINC001211956527 775661631 /nfs/dbraw/zinc/66/16/31/775661631.db2.gz CNQXOKMXOWIIEM-HBNTYKKESA-N 1 2 287.360 -1.075 20 0 CAADLO CO[C@H](C)C(=O)N[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]1OC ZINC001211956526 775661949 /nfs/dbraw/zinc/66/19/49/775661949.db2.gz CNQXOKMXOWIIEM-GMTAPVOTSA-N 1 2 287.360 -1.075 20 0 CAADLO CO[C@H](C)C(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1OC ZINC001211956526 775661955 /nfs/dbraw/zinc/66/19/55/775661955.db2.gz CNQXOKMXOWIIEM-GMTAPVOTSA-N 1 2 287.360 -1.075 20 0 CAADLO C[C@H]1C[C@H]([NH2+]Cc2nc(=O)n(C)[nH]2)CN1C(=O)CC(N)=O ZINC000988431263 775661996 /nfs/dbraw/zinc/66/19/96/775661996.db2.gz KFKSLDBCPGLEHD-YUMQZZPRSA-N 1 2 296.331 -1.937 20 0 CAADLO C[C@H](CNC(=O)C(N)=O)Nc1[nH+]cnc2c1cnn2C ZINC001098243012 775662316 /nfs/dbraw/zinc/66/23/16/775662316.db2.gz YEGXFLZZCLEJNE-ZCFIWIBFSA-N 1 2 277.288 -1.235 20 0 CAADLO CC[C@@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)c2cnnn2C)[C@@H](O)C1 ZINC001083437568 775663276 /nfs/dbraw/zinc/66/32/76/775663276.db2.gz WQGDPFJQMSEZNZ-WEDXCCLWSA-N 1 2 296.331 -2.146 20 0 CAADLO CC[C@@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)c2cnnn2C)[C@@H](O)C1 ZINC001083437568 775663287 /nfs/dbraw/zinc/66/32/87/775663287.db2.gz WQGDPFJQMSEZNZ-WEDXCCLWSA-N 1 2 296.331 -2.146 20 0 CAADLO Cc1cc[nH]c1C(=O)N[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@@H]1O ZINC001083437054 775663453 /nfs/dbraw/zinc/66/34/53/775663453.db2.gz YHCIPGZXCFYWQD-MXWKQRLJSA-N 1 2 292.339 -1.013 20 0 CAADLO Cc1cc[nH]c1C(=O)N[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@@H]1O ZINC001083437054 775663464 /nfs/dbraw/zinc/66/34/64/775663464.db2.gz YHCIPGZXCFYWQD-MXWKQRLJSA-N 1 2 292.339 -1.013 20 0 CAADLO COCC(=O)N(CCO)CC[NH2+]Cc1nnc(C)o1 ZINC001272090911 775665423 /nfs/dbraw/zinc/66/54/23/775665423.db2.gz KJVSGSRUANUKJG-UHFFFAOYSA-N 1 2 272.305 -1.065 20 0 CAADLO CNC(=O)C[N@@H+]1C[C@@H](NC(=O)[C@H](C)COC)[C@H](OC)C1 ZINC001212012116 775666879 /nfs/dbraw/zinc/66/68/79/775666879.db2.gz NKAFDKDGJGDLNC-GMTAPVOTSA-N 1 2 287.360 -1.170 20 0 CAADLO CNC(=O)C[N@H+]1C[C@@H](NC(=O)[C@H](C)COC)[C@H](OC)C1 ZINC001212012116 775666882 /nfs/dbraw/zinc/66/68/82/775666882.db2.gz NKAFDKDGJGDLNC-GMTAPVOTSA-N 1 2 287.360 -1.170 20 0 CAADLO COCC(=O)N1CC[C@](O)(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001040214020 775666963 /nfs/dbraw/zinc/66/69/63/775666963.db2.gz FNHZWPXJNLCBRK-ZDUSSCGKSA-N 1 2 296.327 -1.391 20 0 CAADLO CC(=O)N(CCO)CC[NH2+]Cc1cc(=O)n2[nH]ccc2n1 ZINC001272091178 775667376 /nfs/dbraw/zinc/66/73/76/775667376.db2.gz OLVSYJWYEUHENG-UHFFFAOYSA-N 1 2 293.327 -1.047 20 0 CAADLO CC[C@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)c2cn(C)nn2)[C@@H](O)C1 ZINC001083443374 775667457 /nfs/dbraw/zinc/66/74/57/775667457.db2.gz HJWRDPVJCULABE-QNSHHTMESA-N 1 2 296.331 -2.146 20 0 CAADLO CC[C@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)c2cn(C)nn2)[C@@H](O)C1 ZINC001083443374 775667461 /nfs/dbraw/zinc/66/74/61/775667461.db2.gz HJWRDPVJCULABE-QNSHHTMESA-N 1 2 296.331 -2.146 20 0 CAADLO CCOCCC(=O)N[C@@H]1C[N@H+](CC(=O)NC)C[C@H]1OC ZINC001212017698 775668436 /nfs/dbraw/zinc/66/84/36/775668436.db2.gz PNWCSFQQJCAIAV-GHMZBOCLSA-N 1 2 287.360 -1.026 20 0 CAADLO CCOCCC(=O)N[C@@H]1C[N@@H+](CC(=O)NC)C[C@H]1OC ZINC001212017698 775668437 /nfs/dbraw/zinc/66/84/37/775668437.db2.gz PNWCSFQQJCAIAV-GHMZBOCLSA-N 1 2 287.360 -1.026 20 0 CAADLO CNC(=O)C[N@@H+]1C[C@@H](NC(=O)[C@@H](C)COC)[C@H](OC)C1 ZINC001212012117 775668606 /nfs/dbraw/zinc/66/86/06/775668606.db2.gz NKAFDKDGJGDLNC-HBNTYKKESA-N 1 2 287.360 -1.170 20 0 CAADLO CNC(=O)C[N@H+]1C[C@@H](NC(=O)[C@@H](C)COC)[C@H](OC)C1 ZINC001212012117 775668611 /nfs/dbraw/zinc/66/86/11/775668611.db2.gz NKAFDKDGJGDLNC-HBNTYKKESA-N 1 2 287.360 -1.170 20 0 CAADLO CO[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@H]1NC(=O)CC(N)=O ZINC001212068968 775669863 /nfs/dbraw/zinc/66/98/63/775669863.db2.gz IPPXRSRHPUAXOS-IWSPIJDZSA-N 1 2 284.316 -2.434 20 0 CAADLO CO[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@H]1NC(=O)CC(N)=O ZINC001212068968 775669871 /nfs/dbraw/zinc/66/98/71/775669871.db2.gz IPPXRSRHPUAXOS-IWSPIJDZSA-N 1 2 284.316 -2.434 20 0 CAADLO CO[C@@H]1C[N@H+](CC(=O)NC2CC2)C[C@H]1NC(=O)CC(N)=O ZINC001212069014 775669905 /nfs/dbraw/zinc/66/99/05/775669905.db2.gz KOICENISTFPNOH-NXEZZACHSA-N 1 2 298.343 -2.044 20 0 CAADLO CO[C@@H]1C[N@@H+](CC(=O)NC2CC2)C[C@H]1NC(=O)CC(N)=O ZINC001212069014 775669913 /nfs/dbraw/zinc/66/99/13/775669913.db2.gz KOICENISTFPNOH-NXEZZACHSA-N 1 2 298.343 -2.044 20 0 CAADLO CO[C@@H]1C[N@@H+]([C@H](C)C(N)=O)C[C@H]1NC(=O)CC(N)=O ZINC001212070877 775670342 /nfs/dbraw/zinc/67/03/42/775670342.db2.gz BKSQYDBUJRPXHE-BWZBUEFSSA-N 1 2 272.305 -2.449 20 0 CAADLO CO[C@@H]1C[N@H+]([C@H](C)C(N)=O)C[C@H]1NC(=O)CC(N)=O ZINC001212070877 775670352 /nfs/dbraw/zinc/67/03/52/775670352.db2.gz BKSQYDBUJRPXHE-BWZBUEFSSA-N 1 2 272.305 -2.449 20 0 CAADLO CNC(=O)NC(=O)C[N@H+](C)CCN(C)C(=O)C(N)=O ZINC001272098161 775672287 /nfs/dbraw/zinc/67/22/87/775672287.db2.gz NOZMEWALNULVOZ-UHFFFAOYSA-N 1 2 273.293 -2.683 20 0 CAADLO CNC(=O)NC(=O)C[N@@H+](C)CCN(C)C(=O)C(N)=O ZINC001272098161 775672291 /nfs/dbraw/zinc/67/22/91/775672291.db2.gz NOZMEWALNULVOZ-UHFFFAOYSA-N 1 2 273.293 -2.683 20 0 CAADLO CN(C)C(=O)C[N@H+]1C[C@@H](NC(=O)[C@H]2CC2(F)F)[C@@H](O)C1 ZINC001083448898 775672407 /nfs/dbraw/zinc/67/24/07/775672407.db2.gz XLCXGNDNOKXTHE-HLTSFMKQSA-N 1 2 291.298 -1.109 20 0 CAADLO CN(C)C(=O)C[N@@H+]1C[C@@H](NC(=O)[C@H]2CC2(F)F)[C@@H](O)C1 ZINC001083448898 775672412 /nfs/dbraw/zinc/67/24/12/775672412.db2.gz XLCXGNDNOKXTHE-HLTSFMKQSA-N 1 2 291.298 -1.109 20 0 CAADLO Cc1nc(CC(=O)N[C@@H]2C[N@H+](C[C@H](C)O)C[C@@H]2O)n[nH]1 ZINC001083452566 775673760 /nfs/dbraw/zinc/67/37/60/775673760.db2.gz PYULUQJOFXUFBV-SFGNSQDASA-N 1 2 283.332 -1.802 20 0 CAADLO Cc1nc(CC(=O)N[C@@H]2C[N@@H+](C[C@H](C)O)C[C@@H]2O)n[nH]1 ZINC001083452566 775673763 /nfs/dbraw/zinc/67/37/63/775673763.db2.gz PYULUQJOFXUFBV-SFGNSQDASA-N 1 2 283.332 -1.802 20 0 CAADLO CC[C@@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)c2n[nH]cc2C)[C@@H](O)C1 ZINC001083451252 775674010 /nfs/dbraw/zinc/67/40/10/775674010.db2.gz HHNJYUNTAZVZGZ-UTLUCORTSA-N 1 2 295.343 -1.243 20 0 CAADLO CC[C@@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)c2n[nH]cc2C)[C@@H](O)C1 ZINC001083451252 775674017 /nfs/dbraw/zinc/67/40/17/775674017.db2.gz HHNJYUNTAZVZGZ-UTLUCORTSA-N 1 2 295.343 -1.243 20 0 CAADLO CC[C@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)c2ncc[nH]2)[C@@H](O)C1 ZINC001083450913 775674077 /nfs/dbraw/zinc/67/40/77/775674077.db2.gz QKVGHTUMOMHYAY-HLTSFMKQSA-N 1 2 281.316 -1.552 20 0 CAADLO CC[C@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)c2ncc[nH]2)[C@@H](O)C1 ZINC001083450913 775674083 /nfs/dbraw/zinc/67/40/83/775674083.db2.gz QKVGHTUMOMHYAY-HLTSFMKQSA-N 1 2 281.316 -1.552 20 0 CAADLO COCC[N@H+]1C[C@@H](NC(=O)Cc2n[nH]c(C)n2)[C@@H](O)C1 ZINC001083452745 775674307 /nfs/dbraw/zinc/67/43/07/775674307.db2.gz ZKEJSYIIDZHMSO-ZJUUUORDSA-N 1 2 283.332 -1.537 20 0 CAADLO COCC[N@@H+]1C[C@@H](NC(=O)Cc2n[nH]c(C)n2)[C@@H](O)C1 ZINC001083452745 775674314 /nfs/dbraw/zinc/67/43/14/775674314.db2.gz ZKEJSYIIDZHMSO-ZJUUUORDSA-N 1 2 283.332 -1.537 20 0 CAADLO CC[C@@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)c2ncc[nH]2)[C@@H](O)C1 ZINC001083450914 775674909 /nfs/dbraw/zinc/67/49/09/775674909.db2.gz QKVGHTUMOMHYAY-VGMNWLOBSA-N 1 2 281.316 -1.552 20 0 CAADLO CC[C@@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)c2ncc[nH]2)[C@@H](O)C1 ZINC001083450914 775674913 /nfs/dbraw/zinc/67/49/13/775674913.db2.gz QKVGHTUMOMHYAY-VGMNWLOBSA-N 1 2 281.316 -1.552 20 0 CAADLO C[C@@H](O)C[NH+]1CC(N(C)C(=O)c2cnnn2C)C1 ZINC001042678462 775675997 /nfs/dbraw/zinc/67/59/97/775675997.db2.gz QJGOCFIEWIVFLR-MRVPVSSYSA-N 1 2 253.306 -1.048 20 0 CAADLO CN(C(=O)[C@H]1COC(=O)N1)C1C[NH+](CCn2cncn2)C1 ZINC001042676809 775676477 /nfs/dbraw/zinc/67/64/77/775676477.db2.gz CZMQBLNUVDRKII-SNVBAGLBSA-N 1 2 294.315 -1.471 20 0 CAADLO CN(C(=O)[C@@H]1COC(=O)N1)C1C[NH+](CCn2cncn2)C1 ZINC001042676808 775676779 /nfs/dbraw/zinc/67/67/79/775676779.db2.gz CZMQBLNUVDRKII-JTQLQIEISA-N 1 2 294.315 -1.471 20 0 CAADLO CNC(=O)C[N@H+](C)CCN(C)C(=O)Cc1nnc[nH]1 ZINC001272152341 775678228 /nfs/dbraw/zinc/67/82/28/775678228.db2.gz ULQFGYVDJNPNQZ-UHFFFAOYSA-N 1 2 268.321 -1.517 20 0 CAADLO CNC(=O)C[N@@H+](C)CCN(C)C(=O)Cc1nnc[nH]1 ZINC001272152341 775678233 /nfs/dbraw/zinc/67/82/33/775678233.db2.gz ULQFGYVDJNPNQZ-UHFFFAOYSA-N 1 2 268.321 -1.517 20 0 CAADLO Cn1[nH]c(C[NH2+]CCNC(=O)[C@@H]2CC2(F)F)nc1=O ZINC001126763906 775678740 /nfs/dbraw/zinc/67/87/40/775678740.db2.gz DVBRYRAHPREOBL-LURJTMIESA-N 1 2 275.259 -1.031 20 0 CAADLO CNC(=O)C[N@H+](C)CCN(C)C(=O)c1nc[nH]n1 ZINC001272137654 775678821 /nfs/dbraw/zinc/67/88/21/775678821.db2.gz MOIGNOIIUNBKES-UHFFFAOYSA-N 1 2 254.294 -1.446 20 0 CAADLO CNC(=O)C[N@@H+](C)CCN(C)C(=O)c1nc[nH]n1 ZINC001272137654 775678827 /nfs/dbraw/zinc/67/88/27/775678827.db2.gz MOIGNOIIUNBKES-UHFFFAOYSA-N 1 2 254.294 -1.446 20 0 CAADLO O=C([C@@H]1CC(=O)N1)N1CC2(C1)C[NH+](Cc1cn[nH]c1)C2 ZINC001272159234 775679737 /nfs/dbraw/zinc/67/97/37/775679737.db2.gz JJLDWKLTSQTJEM-JTQLQIEISA-N 1 2 275.312 -1.058 20 0 CAADLO CN(CC[N@H+](C)CC(N)=O)C(=O)C[C@@H]1CC(=O)NC1=O ZINC001272184691 775680958 /nfs/dbraw/zinc/68/09/58/775680958.db2.gz CSXSNVJGNNFKCH-QMMMGPOBSA-N 1 2 284.316 -2.085 20 0 CAADLO CN(CC[N@@H+](C)CC(N)=O)C(=O)C[C@@H]1CC(=O)NC1=O ZINC001272184691 775680960 /nfs/dbraw/zinc/68/09/60/775680960.db2.gz CSXSNVJGNNFKCH-QMMMGPOBSA-N 1 2 284.316 -2.085 20 0 CAADLO CN(CCNc1ncnc2c1C[N@H+](C)CC2)C(=O)C(N)=O ZINC001101944028 775681944 /nfs/dbraw/zinc/68/19/44/775681944.db2.gz YMMPSKIJEJQCNF-UHFFFAOYSA-N 1 2 292.343 -1.180 20 0 CAADLO CN(CCNc1ncnc2c1C[N@@H+](C)CC2)C(=O)C(N)=O ZINC001101944028 775681948 /nfs/dbraw/zinc/68/19/48/775681948.db2.gz YMMPSKIJEJQCNF-UHFFFAOYSA-N 1 2 292.343 -1.180 20 0 CAADLO CN(CCN(C)c1[nH+]cnc2c1cnn2C)C(=O)C(N)=O ZINC001105543244 775683111 /nfs/dbraw/zinc/68/31/11/775683111.db2.gz QLHZAUNRHNFXCP-UHFFFAOYSA-N 1 2 291.315 -1.257 20 0 CAADLO CC[C@@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)Cn2ncnn2)[C@@H](O)C1 ZINC001083463793 775684070 /nfs/dbraw/zinc/68/40/70/775684070.db2.gz AVOWKIGXTYDATA-VGMNWLOBSA-N 1 2 297.319 -2.902 20 0 CAADLO CC[C@@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)Cn2ncnn2)[C@@H](O)C1 ZINC001083463793 775684076 /nfs/dbraw/zinc/68/40/76/775684076.db2.gz AVOWKIGXTYDATA-VGMNWLOBSA-N 1 2 297.319 -2.902 20 0 CAADLO CCN1CCOC[C@@H]1C(=O)N[C@H]1CC[N@H+](CC(N)=O)[C@@H]1C ZINC001088683511 775684516 /nfs/dbraw/zinc/68/45/16/775684516.db2.gz YFNUPDUXVBLHHK-GRYCIOLGSA-N 1 2 298.387 -1.229 20 0 CAADLO CCN1CCOC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CC(N)=O)[C@@H]1C ZINC001088683511 775684520 /nfs/dbraw/zinc/68/45/20/775684520.db2.gz YFNUPDUXVBLHHK-GRYCIOLGSA-N 1 2 298.387 -1.229 20 0 CAADLO Cn1c[nH+]cc1[C@@H](CO)NC(=O)CN1CC(=O)N(C)C1=O ZINC001168351013 775690403 /nfs/dbraw/zinc/69/04/03/775690403.db2.gz ZGQBMRPJBUQLSI-MRVPVSSYSA-N 1 2 295.299 -1.536 20 0 CAADLO Cn1[nH]c(C[NH2+]CCNC(=O)c2ncc[nH]2)nc1=O ZINC001126801073 775690635 /nfs/dbraw/zinc/69/06/35/775690635.db2.gz PYMMFRDNOUAUII-UHFFFAOYSA-N 1 2 265.277 -1.649 20 0 CAADLO Cc1nnc(C[NH+]2CCC(CNC(=O)C(N)=O)CC2)[nH]1 ZINC001224303321 775692224 /nfs/dbraw/zinc/69/22/24/775692224.db2.gz HWGBTXXNKBJZHN-UHFFFAOYSA-N 1 2 280.332 -1.073 20 0 CAADLO C[C@H](C(=O)N1CC[C@H]2C[N@H+](CCO)C[C@H]21)S(C)(=O)=O ZINC001075954029 775692895 /nfs/dbraw/zinc/69/28/95/775692895.db2.gz CDADAPVWXPGPDB-OUAUKWLOSA-N 1 2 290.385 -1.056 20 0 CAADLO C[C@H](C(=O)N1CC[C@H]2C[N@@H+](CCO)C[C@H]21)S(C)(=O)=O ZINC001075954029 775692899 /nfs/dbraw/zinc/69/28/99/775692899.db2.gz CDADAPVWXPGPDB-OUAUKWLOSA-N 1 2 290.385 -1.056 20 0 CAADLO CN(C)C(=O)C[N@H+]1C[C@@H](NC(=O)[C@]23C[C@H]2COC3)[C@@H](O)C1 ZINC001083475959 775696221 /nfs/dbraw/zinc/69/62/21/775696221.db2.gz LIGOWBMCEZCQRM-MIJXAVMKSA-N 1 2 297.355 -1.728 20 0 CAADLO CN(C)C(=O)C[N@@H+]1C[C@@H](NC(=O)[C@]23C[C@H]2COC3)[C@@H](O)C1 ZINC001083475959 775696229 /nfs/dbraw/zinc/69/62/29/775696229.db2.gz LIGOWBMCEZCQRM-MIJXAVMKSA-N 1 2 297.355 -1.728 20 0 CAADLO O=C(N[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@@H]1O)c1cc[nH]c1 ZINC001083481950 775698430 /nfs/dbraw/zinc/69/84/30/775698430.db2.gz FVMOYYRNKLDFRX-MXWKQRLJSA-N 1 2 278.312 -1.322 20 0 CAADLO O=C(N[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@@H]1O)c1cc[nH]c1 ZINC001083481950 775698435 /nfs/dbraw/zinc/69/84/35/775698435.db2.gz FVMOYYRNKLDFRX-MXWKQRLJSA-N 1 2 278.312 -1.322 20 0 CAADLO CC1(C(=O)N[C@@H]2C[N@@H+]([C@H]3CCC(=O)NC3=O)C[C@@H]2O)CC1 ZINC001083479876 775698869 /nfs/dbraw/zinc/69/88/69/775698869.db2.gz JDHDYMILTWGSCG-UTLUCORTSA-N 1 2 295.339 -1.247 20 0 CAADLO CC1(C(=O)N[C@@H]2C[N@H+]([C@H]3CCC(=O)NC3=O)C[C@@H]2O)CC1 ZINC001083479876 775698878 /nfs/dbraw/zinc/69/88/78/775698878.db2.gz JDHDYMILTWGSCG-UTLUCORTSA-N 1 2 295.339 -1.247 20 0 CAADLO CC1(C(=O)N[C@@H]2C[N@@H+]([C@@H]3CCC(=O)NC3=O)C[C@@H]2O)CC1 ZINC001083479875 775699138 /nfs/dbraw/zinc/69/91/38/775699138.db2.gz JDHDYMILTWGSCG-BBBLOLIVSA-N 1 2 295.339 -1.247 20 0 CAADLO CC1(C(=O)N[C@@H]2C[N@H+]([C@@H]3CCC(=O)NC3=O)C[C@@H]2O)CC1 ZINC001083479875 775699145 /nfs/dbraw/zinc/69/91/45/775699145.db2.gz JDHDYMILTWGSCG-BBBLOLIVSA-N 1 2 295.339 -1.247 20 0 CAADLO C[C@@H](CCNC(=O)CC(N)=O)NC(=O)Cc1c[nH+]cn1C ZINC001075993990 775699229 /nfs/dbraw/zinc/69/92/29/775699229.db2.gz PHFORHURJPPVCS-VIFPVBQESA-N 1 2 295.343 -1.151 20 0 CAADLO CN(C)C(=O)C[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CCC(=O)N1 ZINC001038118345 775701150 /nfs/dbraw/zinc/70/11/50/775701150.db2.gz BFPONZOZAHZLEU-NXEZZACHSA-N 1 2 282.344 -1.456 20 0 CAADLO CN(C)C(=O)C[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CCC(=O)N1 ZINC001038118345 775701154 /nfs/dbraw/zinc/70/11/54/775701154.db2.gz BFPONZOZAHZLEU-NXEZZACHSA-N 1 2 282.344 -1.456 20 0 CAADLO CC(C)[N@H+]1C[C@@H](NC(=O)C2CS(=O)(=O)C2)[C@@H](O)C1 ZINC001083488129 775701416 /nfs/dbraw/zinc/70/14/16/775701416.db2.gz WHUHNIVZFXLODE-ZJUUUORDSA-N 1 2 276.358 -1.399 20 0 CAADLO CC(C)[N@@H+]1C[C@@H](NC(=O)C2CS(=O)(=O)C2)[C@@H](O)C1 ZINC001083488129 775701423 /nfs/dbraw/zinc/70/14/23/775701423.db2.gz WHUHNIVZFXLODE-ZJUUUORDSA-N 1 2 276.358 -1.399 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)Cn2nccn2)[C@@H](O)C1 ZINC001083492615 775701750 /nfs/dbraw/zinc/70/17/50/775701750.db2.gz KLLTYRPBXPPIIU-BBBLOLIVSA-N 1 2 296.331 -2.426 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)Cn2nccn2)[C@@H](O)C1 ZINC001083492615 775701753 /nfs/dbraw/zinc/70/17/53/775701753.db2.gz KLLTYRPBXPPIIU-BBBLOLIVSA-N 1 2 296.331 -2.426 20 0 CAADLO C[C@@H](CCNC(=O)CC(N)=O)NC(=O)Cn1cc[nH+]c1 ZINC001076000388 775702392 /nfs/dbraw/zinc/70/23/92/775702392.db2.gz STQQHWQCINOEQU-VIFPVBQESA-N 1 2 281.316 -1.231 20 0 CAADLO C[C@@H]1[C@@H](NC(=O)[C@@H]2CCC(=O)N2C)CC[N@@H+]1CC(N)=O ZINC001088801287 775702795 /nfs/dbraw/zinc/70/27/95/775702795.db2.gz TUBASUYTAVEMIQ-UTLUCORTSA-N 1 2 282.344 -1.329 20 0 CAADLO C[C@@H]1[C@@H](NC(=O)[C@@H]2CCC(=O)N2C)CC[N@H+]1CC(N)=O ZINC001088801287 775702797 /nfs/dbraw/zinc/70/27/97/775702797.db2.gz TUBASUYTAVEMIQ-UTLUCORTSA-N 1 2 282.344 -1.329 20 0 CAADLO C[C@@H]1[C@@H](NC(=O)[C@H]2CN(C)C(=O)N2)CC[N@@H+]1CC(N)=O ZINC001088795610 775702916 /nfs/dbraw/zinc/70/29/16/775702916.db2.gz INWPVGPJXNGOAX-HRDYMLBCSA-N 1 2 283.332 -1.926 20 0 CAADLO C[C@@H]1[C@@H](NC(=O)[C@H]2CN(C)C(=O)N2)CC[N@H+]1CC(N)=O ZINC001088795610 775702922 /nfs/dbraw/zinc/70/29/22/775702922.db2.gz INWPVGPJXNGOAX-HRDYMLBCSA-N 1 2 283.332 -1.926 20 0 CAADLO Cc1c[nH]nc1C(=O)NCC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001126852269 775703143 /nfs/dbraw/zinc/70/31/43/775703143.db2.gz OPPNRMWGQDBHJC-UHFFFAOYSA-N 1 2 279.304 -1.340 20 0 CAADLO CCN1C[C@@H](C(=O)N[C@@H]2C[N@H+](CCF)C[C@@H]2O)CC1=O ZINC001083503433 775705366 /nfs/dbraw/zinc/70/53/66/775705366.db2.gz RJLJAXNMRARMHK-AXFHLTTASA-N 1 2 287.335 -1.014 20 0 CAADLO CCN1C[C@@H](C(=O)N[C@@H]2C[N@@H+](CCF)C[C@@H]2O)CC1=O ZINC001083503433 775705374 /nfs/dbraw/zinc/70/53/74/775705374.db2.gz RJLJAXNMRARMHK-AXFHLTTASA-N 1 2 287.335 -1.014 20 0 CAADLO CN1C[C@H](C(=O)N[C@@H]2C[N@H+](CCF)C[C@@H]2O)CC1=O ZINC001083502339 775706074 /nfs/dbraw/zinc/70/60/74/775706074.db2.gz CNWBLHWWIHFNKT-BBBLOLIVSA-N 1 2 273.308 -1.405 20 0 CAADLO CN1C[C@H](C(=O)N[C@@H]2C[N@@H+](CCF)C[C@@H]2O)CC1=O ZINC001083502339 775706082 /nfs/dbraw/zinc/70/60/82/775706082.db2.gz CNWBLHWWIHFNKT-BBBLOLIVSA-N 1 2 273.308 -1.405 20 0 CAADLO C[C@@H]1[C@@H](NC(=O)[C@H]2CCC(=O)N2C)CC[N@@H+]1CC(N)=O ZINC001088812246 775707676 /nfs/dbraw/zinc/70/76/76/775707676.db2.gz TUBASUYTAVEMIQ-KXUCPTDWSA-N 1 2 282.344 -1.329 20 0 CAADLO C[C@@H]1[C@@H](NC(=O)[C@H]2CCC(=O)N2C)CC[N@H+]1CC(N)=O ZINC001088812246 775707687 /nfs/dbraw/zinc/70/76/87/775707687.db2.gz TUBASUYTAVEMIQ-KXUCPTDWSA-N 1 2 282.344 -1.329 20 0 CAADLO O=C(C[C@H]1CCNC1=O)N[C@@H]1C[N@@H+](CCF)C[C@@H]1O ZINC001083521167 775710300 /nfs/dbraw/zinc/71/03/00/775710300.db2.gz MMTJQSROMXCGMS-BBBLOLIVSA-N 1 2 273.308 -1.357 20 0 CAADLO O=C(C[C@H]1CCNC1=O)N[C@@H]1C[N@H+](CCF)C[C@@H]1O ZINC001083521167 775710309 /nfs/dbraw/zinc/71/03/09/775710309.db2.gz MMTJQSROMXCGMS-BBBLOLIVSA-N 1 2 273.308 -1.357 20 0 CAADLO C[C@@H]1[C@@H](NC(=O)[C@@H]2CNC(=O)N2)CC[N@@H+]1CC(N)=O ZINC001088828537 775713164 /nfs/dbraw/zinc/71/31/64/775713164.db2.gz MMBNGRRMNYVRLW-CSMHCCOUSA-N 1 2 269.305 -2.268 20 0 CAADLO C[C@@H]1[C@@H](NC(=O)[C@@H]2CNC(=O)N2)CC[N@H+]1CC(N)=O ZINC001088828537 775713173 /nfs/dbraw/zinc/71/31/73/775713173.db2.gz MMBNGRRMNYVRLW-CSMHCCOUSA-N 1 2 269.305 -2.268 20 0 CAADLO Cc1nnc(CC(=O)NCC[NH2+]Cc2nnnn2C)[nH]1 ZINC001126912076 775713960 /nfs/dbraw/zinc/71/39/60/775713960.db2.gz BQKKZKZRKGDSTJ-UHFFFAOYSA-N 1 2 279.308 -1.915 20 0 CAADLO Cc1n[nH]nc1C(=O)N1CC[C@H]2C[N@H+](CC(N)=O)C[C@H]21 ZINC001076118165 775720296 /nfs/dbraw/zinc/72/02/96/775720296.db2.gz JZMXJKCHVVVFLK-DTWKUNHWSA-N 1 2 278.316 -1.255 20 0 CAADLO Cc1n[nH]nc1C(=O)N1CC[C@H]2C[N@@H+](CC(N)=O)C[C@H]21 ZINC001076118165 775720303 /nfs/dbraw/zinc/72/03/03/775720303.db2.gz JZMXJKCHVVVFLK-DTWKUNHWSA-N 1 2 278.316 -1.255 20 0 CAADLO O=C(N[C@@H]1C[N@@H+](CCF)C[C@@H]1O)[C@@H]1CCCNC1=O ZINC001083544806 775723668 /nfs/dbraw/zinc/72/36/68/775723668.db2.gz OXKQWAZYQFGTJN-BBBLOLIVSA-N 1 2 273.308 -1.357 20 0 CAADLO O=C(N[C@@H]1C[N@H+](CCF)C[C@@H]1O)[C@@H]1CCCNC1=O ZINC001083544806 775723672 /nfs/dbraw/zinc/72/36/72/775723672.db2.gz OXKQWAZYQFGTJN-BBBLOLIVSA-N 1 2 273.308 -1.357 20 0 CAADLO Cc1nnc(C[NH2+]CCNC(=O)Cc2nnc(C)[nH]2)[nH]1 ZINC001126921065 775724517 /nfs/dbraw/zinc/72/45/17/775724517.db2.gz GZFSZURUWCZTKB-UHFFFAOYSA-N 1 2 278.320 -1.012 20 0 CAADLO CNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)c3cnn(C)n3)[C@@H]2C1 ZINC001076358753 775726882 /nfs/dbraw/zinc/72/68/82/775726882.db2.gz NVWSMAMIJOOWBJ-GXSJLCMTSA-N 1 2 292.343 -1.293 20 0 CAADLO CNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)c3cnn(C)n3)[C@@H]2C1 ZINC001076358753 775726891 /nfs/dbraw/zinc/72/68/91/775726891.db2.gz NVWSMAMIJOOWBJ-GXSJLCMTSA-N 1 2 292.343 -1.293 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)Cc2cncs2)[C@@H](O)C1 ZINC001083545994 775727386 /nfs/dbraw/zinc/72/73/86/775727386.db2.gz QRJABSHQABZOQF-QNSHHTMESA-N 1 2 298.368 -1.279 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)Cc2cncs2)[C@@H](O)C1 ZINC001083545994 775727392 /nfs/dbraw/zinc/72/73/92/775727392.db2.gz QRJABSHQABZOQF-QNSHHTMESA-N 1 2 298.368 -1.279 20 0 CAADLO CCn1cc(C(=O)N2CC[C@H]3C[N@H+](CC(N)=O)C[C@H]32)nn1 ZINC001076410800 775729304 /nfs/dbraw/zinc/72/93/04/775729304.db2.gz DSQRMDCWIUORQV-GXSJLCMTSA-N 1 2 292.343 -1.070 20 0 CAADLO CCn1cc(C(=O)N2CC[C@H]3C[N@@H+](CC(N)=O)C[C@H]32)nn1 ZINC001076410800 775729312 /nfs/dbraw/zinc/72/93/12/775729312.db2.gz DSQRMDCWIUORQV-GXSJLCMTSA-N 1 2 292.343 -1.070 20 0 CAADLO NC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)c3nc[nH]n3)[C@@H]2C1 ZINC001076375563 775729435 /nfs/dbraw/zinc/72/94/35/775729435.db2.gz MYIUVNHHNDQVPI-JGVFFNPUSA-N 1 2 264.289 -1.564 20 0 CAADLO NC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)c3nc[nH]n3)[C@@H]2C1 ZINC001076375563 775729443 /nfs/dbraw/zinc/72/94/43/775729443.db2.gz MYIUVNHHNDQVPI-JGVFFNPUSA-N 1 2 264.289 -1.564 20 0 CAADLO NC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)c3cnon3)[C@@H]2C1 ZINC001076379773 775730271 /nfs/dbraw/zinc/73/02/71/775730271.db2.gz YLQXMKXPJXHGMI-IONNQARKSA-N 1 2 265.273 -1.299 20 0 CAADLO NC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)c3cnon3)[C@@H]2C1 ZINC001076379773 775730280 /nfs/dbraw/zinc/73/02/80/775730280.db2.gz YLQXMKXPJXHGMI-IONNQARKSA-N 1 2 265.273 -1.299 20 0 CAADLO Cc1[nH]c(=O)[nH]c1C(=O)N[C@@H]1C[N@H+]([C@H](C)C(N)=O)C[C@@H]1O ZINC001083548058 775730397 /nfs/dbraw/zinc/73/03/97/775730397.db2.gz RBVSFXOLOLJJPR-PRJMDXOYSA-N 1 2 297.315 -1.928 20 0 CAADLO Cc1[nH]c(=O)[nH]c1C(=O)N[C@@H]1C[N@@H+]([C@H](C)C(N)=O)C[C@@H]1O ZINC001083548058 775730408 /nfs/dbraw/zinc/73/04/08/775730408.db2.gz RBVSFXOLOLJJPR-PRJMDXOYSA-N 1 2 297.315 -1.928 20 0 CAADLO CC(=O)N[C@@H]1C[N@H+](CC[C@H]2CCS(=O)(=O)C2)C[C@H]1O ZINC001076655064 775734341 /nfs/dbraw/zinc/73/43/41/775734341.db2.gz CXNHLTCNIHISFR-QJPTWQEYSA-N 1 2 290.385 -1.008 20 0 CAADLO CC(=O)N[C@@H]1C[N@@H+](CC[C@H]2CCS(=O)(=O)C2)C[C@H]1O ZINC001076655064 775734345 /nfs/dbraw/zinc/73/43/45/775734345.db2.gz CXNHLTCNIHISFR-QJPTWQEYSA-N 1 2 290.385 -1.008 20 0 CAADLO CC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCOCC2)C[C@H]1O ZINC001076655422 775734425 /nfs/dbraw/zinc/73/44/25/775734425.db2.gz KFERAUJDBLHTSS-GHMZBOCLSA-N 1 2 271.317 -1.974 20 0 CAADLO CC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCOCC2)C[C@H]1O ZINC001076655422 775734429 /nfs/dbraw/zinc/73/44/29/775734429.db2.gz KFERAUJDBLHTSS-GHMZBOCLSA-N 1 2 271.317 -1.974 20 0 CAADLO O=C(N[C@@H]1C[N@H+]([C@H]2CCCNC2=O)C[C@H]1O)C1CC1 ZINC001076663195 775735695 /nfs/dbraw/zinc/73/56/95/775735695.db2.gz AKSKJKUBQARLIX-OUAUKWLOSA-N 1 2 267.329 -1.164 20 0 CAADLO O=C(N[C@@H]1C[N@@H+]([C@H]2CCCNC2=O)C[C@H]1O)C1CC1 ZINC001076663195 775735700 /nfs/dbraw/zinc/73/57/00/775735700.db2.gz AKSKJKUBQARLIX-OUAUKWLOSA-N 1 2 267.329 -1.164 20 0 CAADLO CCC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCCNC2=O)C[C@H]1O ZINC001076653613 775735950 /nfs/dbraw/zinc/73/59/50/775735950.db2.gz UOSSIRRECLBJIL-OPRDCNLKSA-N 1 2 255.318 -1.164 20 0 CAADLO CCC(=O)N[C@@H]1C[N@H+]([C@@H]2CCCNC2=O)C[C@H]1O ZINC001076653613 775735958 /nfs/dbraw/zinc/73/59/58/775735958.db2.gz UOSSIRRECLBJIL-OPRDCNLKSA-N 1 2 255.318 -1.164 20 0 CAADLO CC[C@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2CC2)C1 ZINC001076662752 775736695 /nfs/dbraw/zinc/73/66/95/775736695.db2.gz VPVZLGGMDXLRTR-OPRDCNLKSA-N 1 2 255.318 -1.178 20 0 CAADLO CC[C@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)C2CC2)C1 ZINC001076662752 775736703 /nfs/dbraw/zinc/73/67/03/775736703.db2.gz VPVZLGGMDXLRTR-OPRDCNLKSA-N 1 2 255.318 -1.178 20 0 CAADLO CC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)NC2CC2)C[C@H]1O ZINC001076657622 775736833 /nfs/dbraw/zinc/73/68/33/775736833.db2.gz KRSXIHNKEDVNOD-WHGOUJPWSA-N 1 2 255.318 -1.165 20 0 CAADLO CC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC2CC2)C[C@H]1O ZINC001076657622 775736838 /nfs/dbraw/zinc/73/68/38/775736838.db2.gz KRSXIHNKEDVNOD-WHGOUJPWSA-N 1 2 255.318 -1.165 20 0 CAADLO CN1CC[C@@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)C3CC3)C2)C1=O ZINC001076662305 775736923 /nfs/dbraw/zinc/73/69/23/775736923.db2.gz CBTIWYHLTUMTFB-GMTAPVOTSA-N 1 2 267.329 -1.212 20 0 CAADLO CN1CC[C@@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)C3CC3)C2)C1=O ZINC001076662305 775736927 /nfs/dbraw/zinc/73/69/27/775736927.db2.gz CBTIWYHLTUMTFB-GMTAPVOTSA-N 1 2 267.329 -1.212 20 0 CAADLO CN1CC[C@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)C3CC3)C2)C1=O ZINC001076662306 775737049 /nfs/dbraw/zinc/73/70/49/775737049.db2.gz CBTIWYHLTUMTFB-OUAUKWLOSA-N 1 2 267.329 -1.212 20 0 CAADLO CN1CC[C@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)C3CC3)C2)C1=O ZINC001076662306 775737052 /nfs/dbraw/zinc/73/70/52/775737052.db2.gz CBTIWYHLTUMTFB-OUAUKWLOSA-N 1 2 267.329 -1.212 20 0 CAADLO CC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCO[C@@H](C)C2)C[C@H]1O ZINC001076656735 775737170 /nfs/dbraw/zinc/73/71/70/775737170.db2.gz FVQCYNGDQPHDBM-MVWJERBFSA-N 1 2 285.344 -1.585 20 0 CAADLO CC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCO[C@@H](C)C2)C[C@H]1O ZINC001076656735 775737173 /nfs/dbraw/zinc/73/71/73/775737173.db2.gz FVQCYNGDQPHDBM-MVWJERBFSA-N 1 2 285.344 -1.585 20 0 CAADLO O=C(N[C@@H]1C[N@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1O)C1CC1 ZINC001076663524 775737178 /nfs/dbraw/zinc/73/71/78/775737178.db2.gz MKLLPIKAEMXFPH-OPRDCNLKSA-N 1 2 281.312 -1.637 20 0 CAADLO O=C(N[C@@H]1C[N@@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1O)C1CC1 ZINC001076663524 775737183 /nfs/dbraw/zinc/73/71/83/775737183.db2.gz MKLLPIKAEMXFPH-OPRDCNLKSA-N 1 2 281.312 -1.637 20 0 CAADLO CC[C@@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2CCOCC2)C1 ZINC001076675116 775738128 /nfs/dbraw/zinc/73/81/28/775738128.db2.gz LWIUGDRJFBAONU-GRYCIOLGSA-N 1 2 299.371 -1.162 20 0 CAADLO CC[C@@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)C2CCOCC2)C1 ZINC001076675116 775738136 /nfs/dbraw/zinc/73/81/36/775738136.db2.gz LWIUGDRJFBAONU-GRYCIOLGSA-N 1 2 299.371 -1.162 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2CCOCC2)C1 ZINC001076674916 775738437 /nfs/dbraw/zinc/73/84/37/775738437.db2.gz BSQNIWHUFYWZDQ-YUSALJHKSA-N 1 2 299.371 -1.291 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)C2CCOCC2)C1 ZINC001076674916 775738438 /nfs/dbraw/zinc/73/84/38/775738438.db2.gz BSQNIWHUFYWZDQ-YUSALJHKSA-N 1 2 299.371 -1.291 20 0 CAADLO CC(=O)N[C@@H]1C[N@H+](Cc2cc(=O)n(C)c(=O)n2C)C[C@H]1O ZINC001076658767 775738522 /nfs/dbraw/zinc/73/85/22/775738522.db2.gz NOHPRVVSVRSOKW-GHMZBOCLSA-N 1 2 296.327 -2.235 20 0 CAADLO CC(=O)N[C@@H]1C[N@@H+](Cc2cc(=O)n(C)c(=O)n2C)C[C@H]1O ZINC001076658767 775738527 /nfs/dbraw/zinc/73/85/27/775738527.db2.gz NOHPRVVSVRSOKW-GHMZBOCLSA-N 1 2 296.327 -2.235 20 0 CAADLO CC[C@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2CCOCC2)C1 ZINC001076675117 775739238 /nfs/dbraw/zinc/73/92/38/775739238.db2.gz LWIUGDRJFBAONU-IJLUTSLNSA-N 1 2 299.371 -1.162 20 0 CAADLO CC[C@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)C2CCOCC2)C1 ZINC001076675117 775739246 /nfs/dbraw/zinc/73/92/46/775739246.db2.gz LWIUGDRJFBAONU-IJLUTSLNSA-N 1 2 299.371 -1.162 20 0 CAADLO O=C(CC1CC1)N[C@@H]1C[N@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1O ZINC001076671948 775741065 /nfs/dbraw/zinc/74/10/65/775741065.db2.gz CJTDNVWBFBPFEZ-OUAUKWLOSA-N 1 2 295.339 -1.247 20 0 CAADLO O=C(CC1CC1)N[C@@H]1C[N@@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1O ZINC001076671948 775741074 /nfs/dbraw/zinc/74/10/74/775741074.db2.gz CJTDNVWBFBPFEZ-OUAUKWLOSA-N 1 2 295.339 -1.247 20 0 CAADLO CC[C@@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2=COCCO2)C1 ZINC001076710284 775743380 /nfs/dbraw/zinc/74/33/80/775743380.db2.gz SNVWIGLNKOPXBM-KXUCPTDWSA-N 1 2 299.327 -1.700 20 0 CAADLO CC[C@@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)C2=COCCO2)C1 ZINC001076710284 775743389 /nfs/dbraw/zinc/74/33/89/775743389.db2.gz SNVWIGLNKOPXBM-KXUCPTDWSA-N 1 2 299.327 -1.700 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2=COCCO2)C1 ZINC001076709767 775743590 /nfs/dbraw/zinc/74/35/90/775743590.db2.gz BEKYEBVJXAXVOX-IVZWLZJFSA-N 1 2 299.327 -1.830 20 0 CAADLO CNC(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)C2=COCCO2)C1 ZINC001076709767 775743591 /nfs/dbraw/zinc/74/35/91/775743591.db2.gz BEKYEBVJXAXVOX-IVZWLZJFSA-N 1 2 299.327 -1.830 20 0 CAADLO CC[C@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn(C)c2)C1 ZINC001076727718 775745662 /nfs/dbraw/zinc/74/56/62/775745662.db2.gz WYXONJRMXCXPFX-GMTAPVOTSA-N 1 2 295.343 -1.541 20 0 CAADLO CC[C@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn(C)c2)C1 ZINC001076727718 775745666 /nfs/dbraw/zinc/74/56/66/775745666.db2.gz WYXONJRMXCXPFX-GMTAPVOTSA-N 1 2 295.343 -1.541 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn(C)c2)C1 ZINC001076725658 775745723 /nfs/dbraw/zinc/74/57/23/775745723.db2.gz DNJOSBXBCFCFNT-FBIMIBRVSA-N 1 2 295.343 -1.671 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn(C)c2)C1 ZINC001076725658 775745734 /nfs/dbraw/zinc/74/57/34/775745734.db2.gz DNJOSBXBCFCFNT-FBIMIBRVSA-N 1 2 295.343 -1.671 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cccn2)C1 ZINC001076746846 775746606 /nfs/dbraw/zinc/74/66/06/775746606.db2.gz OYWIVPPELVVEHI-HBNTYKKESA-N 1 2 295.343 -1.821 20 0 CAADLO CNC(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cccn2)C1 ZINC001076746846 775746614 /nfs/dbraw/zinc/74/66/14/775746614.db2.gz OYWIVPPELVVEHI-HBNTYKKESA-N 1 2 295.343 -1.821 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cccn2)C1 ZINC001076746845 775746706 /nfs/dbraw/zinc/74/67/06/775746706.db2.gz OYWIVPPELVVEHI-GMTAPVOTSA-N 1 2 295.343 -1.821 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cccn2)C1 ZINC001076746845 775746709 /nfs/dbraw/zinc/74/67/09/775746709.db2.gz OYWIVPPELVVEHI-GMTAPVOTSA-N 1 2 295.343 -1.821 20 0 CAADLO O=C(N[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@H]1O)c1ccc[nH]1 ZINC001076736525 775746784 /nfs/dbraw/zinc/74/67/84/775746784.db2.gz XYALYXSTJWDNPQ-GMTAPVOTSA-N 1 2 278.312 -1.322 20 0 CAADLO O=C(N[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@H]1O)c1ccc[nH]1 ZINC001076736525 775746786 /nfs/dbraw/zinc/74/67/86/775746786.db2.gz XYALYXSTJWDNPQ-GMTAPVOTSA-N 1 2 278.312 -1.322 20 0 CAADLO CC[C@@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cccn2)C1 ZINC001076746628 775747880 /nfs/dbraw/zinc/74/78/80/775747880.db2.gz KCCWECSYKSTPSJ-OUAUKWLOSA-N 1 2 295.343 -1.692 20 0 CAADLO CC[C@@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cccn2)C1 ZINC001076746628 775747887 /nfs/dbraw/zinc/74/78/87/775747887.db2.gz KCCWECSYKSTPSJ-OUAUKWLOSA-N 1 2 295.343 -1.692 20 0 CAADLO O=C(CN1CCCC1=O)N[C@@H]1C[N@@H+](CCF)C[C@H]1O ZINC001076728578 775747909 /nfs/dbraw/zinc/74/79/09/775747909.db2.gz MXVOXRWOMWUOLJ-NXEZZACHSA-N 1 2 273.308 -1.260 20 0 CAADLO O=C(CN1CCCC1=O)N[C@@H]1C[N@H+](CCF)C[C@H]1O ZINC001076728578 775747914 /nfs/dbraw/zinc/74/79/14/775747914.db2.gz MXVOXRWOMWUOLJ-NXEZZACHSA-N 1 2 273.308 -1.260 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc[nH]2)C1 ZINC001076737569 775748122 /nfs/dbraw/zinc/74/81/22/775748122.db2.gz PPQIIRSWBYIFGT-JMJZKYOTSA-N 1 2 280.328 -1.076 20 0 CAADLO CNC(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc[nH]2)C1 ZINC001076737569 775748127 /nfs/dbraw/zinc/74/81/27/775748127.db2.gz PPQIIRSWBYIFGT-JMJZKYOTSA-N 1 2 280.328 -1.076 20 0 CAADLO O=C(N[C@@H]1C[N@H+]([C@H]2CCCNC2=O)C[C@H]1O)c1ccn[nH]1 ZINC001076763424 775748800 /nfs/dbraw/zinc/74/88/00/775748800.db2.gz PNSPBIBGRJFHCM-OUAUKWLOSA-N 1 2 293.327 -1.537 20 0 CAADLO O=C(N[C@@H]1C[N@@H+]([C@H]2CCCNC2=O)C[C@H]1O)c1ccn[nH]1 ZINC001076763424 775748809 /nfs/dbraw/zinc/74/88/09/775748809.db2.gz PNSPBIBGRJFHCM-OUAUKWLOSA-N 1 2 293.327 -1.537 20 0 CAADLO CC[C@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccn[nH]2)C1 ZINC001076761871 775748937 /nfs/dbraw/zinc/74/89/37/775748937.db2.gz FYVMEARJWPVYII-OPRDCNLKSA-N 1 2 281.316 -1.552 20 0 CAADLO CC[C@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccn[nH]2)C1 ZINC001076761871 775748946 /nfs/dbraw/zinc/74/89/46/775748946.db2.gz FYVMEARJWPVYII-OPRDCNLKSA-N 1 2 281.316 -1.552 20 0 CAADLO CC(C)C(=O)N[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@H]1O ZINC001076755594 775749307 /nfs/dbraw/zinc/74/93/07/775749307.db2.gz HMAPIOCEGQJLBU-OPRDCNLKSA-N 1 2 255.318 -1.308 20 0 CAADLO CC(C)C(=O)N[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@H]1O ZINC001076755594 775749312 /nfs/dbraw/zinc/74/93/12/775749312.db2.gz HMAPIOCEGQJLBU-OPRDCNLKSA-N 1 2 255.318 -1.308 20 0 CAADLO CN1CC[C@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)c3ccn[nH]3)C2)C1=O ZINC001076761863 775749692 /nfs/dbraw/zinc/74/96/92/775749692.db2.gz FUDAOYSJOXKITN-OUAUKWLOSA-N 1 2 293.327 -1.585 20 0 CAADLO CN1CC[C@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)c3ccn[nH]3)C2)C1=O ZINC001076761863 775749699 /nfs/dbraw/zinc/74/96/99/775749699.db2.gz FUDAOYSJOXKITN-OUAUKWLOSA-N 1 2 293.327 -1.585 20 0 CAADLO O=C(N[C@@H]1C[N@H+]([C@@H]2CCCNC2=O)C[C@H]1O)c1ccn[nH]1 ZINC001076763423 775749821 /nfs/dbraw/zinc/74/98/21/775749821.db2.gz PNSPBIBGRJFHCM-GMTAPVOTSA-N 1 2 293.327 -1.537 20 0 CAADLO O=C(N[C@@H]1C[N@@H+]([C@@H]2CCCNC2=O)C[C@H]1O)c1ccn[nH]1 ZINC001076763423 775749828 /nfs/dbraw/zinc/74/98/28/775749828.db2.gz PNSPBIBGRJFHCM-GMTAPVOTSA-N 1 2 293.327 -1.537 20 0 CAADLO O=C(N[C@@H]1C[N@H+]([C@H]2CCCNC2=O)C[C@H]1O)c1ccon1 ZINC001076778052 775751315 /nfs/dbraw/zinc/75/13/15/775751315.db2.gz OJABTFVMCSOZAU-OUAUKWLOSA-N 1 2 294.311 -1.272 20 0 CAADLO O=C(N[C@@H]1C[N@@H+]([C@H]2CCCNC2=O)C[C@H]1O)c1ccon1 ZINC001076778052 775751323 /nfs/dbraw/zinc/75/13/23/775751323.db2.gz OJABTFVMCSOZAU-OUAUKWLOSA-N 1 2 294.311 -1.272 20 0 CAADLO O=C(N[C@@H]1C[N@H+]([C@@H]2CCCNC2=O)C[C@H]1O)c1cn[nH]c1 ZINC001076769637 775751445 /nfs/dbraw/zinc/75/14/45/775751445.db2.gz LGAFBKKWOLEMBS-GMTAPVOTSA-N 1 2 293.327 -1.537 20 0 CAADLO O=C(N[C@@H]1C[N@@H+]([C@@H]2CCCNC2=O)C[C@H]1O)c1cn[nH]c1 ZINC001076769637 775751456 /nfs/dbraw/zinc/75/14/56/775751456.db2.gz LGAFBKKWOLEMBS-GMTAPVOTSA-N 1 2 293.327 -1.537 20 0 CAADLO CN(C)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2CCCO2)C1 ZINC001076759475 775751584 /nfs/dbraw/zinc/75/15/84/775751584.db2.gz UTTDKINDQLOKSO-IJLUTSLNSA-N 1 2 299.371 -1.195 20 0 CAADLO CN(C)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2CCCO2)C1 ZINC001076759475 775751597 /nfs/dbraw/zinc/75/15/97/775751597.db2.gz UTTDKINDQLOKSO-IJLUTSLNSA-N 1 2 299.371 -1.195 20 0 CAADLO C[C@H](C(=O)N(C)C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cn[nH]c2)C1 ZINC001076772309 775752365 /nfs/dbraw/zinc/75/23/65/775752365.db2.gz ZLCDAKCRWYWSJX-FBIMIBRVSA-N 1 2 295.343 -1.339 20 0 CAADLO C[C@H](C(=O)N(C)C)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cn[nH]c2)C1 ZINC001076772309 775752371 /nfs/dbraw/zinc/75/23/71/775752371.db2.gz ZLCDAKCRWYWSJX-FBIMIBRVSA-N 1 2 295.343 -1.339 20 0 CAADLO O=C(N[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@H]1O)C1=COCCC1 ZINC001076791666 775753600 /nfs/dbraw/zinc/75/36/00/775753600.db2.gz DFDLVTDYXJGYGM-IJLUTSLNSA-N 1 2 295.339 -1.270 20 0 CAADLO O=C(N[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@H]1O)C1=COCCC1 ZINC001076791666 775753605 /nfs/dbraw/zinc/75/36/05/775753605.db2.gz DFDLVTDYXJGYGM-IJLUTSLNSA-N 1 2 295.339 -1.270 20 0 CAADLO O=C(N[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@H]1O)C1=COCCC1 ZINC001076791665 775753684 /nfs/dbraw/zinc/75/36/84/775753684.db2.gz DFDLVTDYXJGYGM-GRYCIOLGSA-N 1 2 295.339 -1.270 20 0 CAADLO O=C(N[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@H]1O)C1=COCCC1 ZINC001076791665 775753690 /nfs/dbraw/zinc/75/36/90/775753690.db2.gz DFDLVTDYXJGYGM-GRYCIOLGSA-N 1 2 295.339 -1.270 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cnn(C)c2)C1 ZINC001076800627 775756133 /nfs/dbraw/zinc/75/61/33/775756133.db2.gz ZFOICADDWBTEMI-FBIMIBRVSA-N 1 2 295.343 -2.002 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cnn(C)c2)C1 ZINC001076800627 775756143 /nfs/dbraw/zinc/75/61/43/775756143.db2.gz ZFOICADDWBTEMI-FBIMIBRVSA-N 1 2 295.343 -2.002 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2=COCCC2)C1 ZINC001076801244 775756472 /nfs/dbraw/zinc/75/64/72/775756472.db2.gz ATFFQDADPKVZNP-MVWJERBFSA-N 1 2 297.355 -1.024 20 0 CAADLO CNC(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)C2=COCCC2)C1 ZINC001076801244 775756477 /nfs/dbraw/zinc/75/64/77/775756477.db2.gz ATFFQDADPKVZNP-MVWJERBFSA-N 1 2 297.355 -1.024 20 0 CAADLO CN(C)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2=COCCC2)C1 ZINC001076792418 775756827 /nfs/dbraw/zinc/75/68/27/775756827.db2.gz VEISWLXCQFYEBT-VXGBXAGGSA-N 1 2 297.355 -1.070 20 0 CAADLO CN(C)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C2=COCCC2)C1 ZINC001076792418 775756831 /nfs/dbraw/zinc/75/68/31/775756831.db2.gz VEISWLXCQFYEBT-VXGBXAGGSA-N 1 2 297.355 -1.070 20 0 CAADLO O=C(N[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1O)c1cocn1 ZINC001076808220 775758239 /nfs/dbraw/zinc/75/82/39/775758239.db2.gz BNGXAMHQYHVRFI-MWLCHTKSSA-N 1 2 292.299 -1.259 20 0 CAADLO O=C(N[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1O)c1cocn1 ZINC001076808220 775758245 /nfs/dbraw/zinc/75/82/45/775758245.db2.gz BNGXAMHQYHVRFI-MWLCHTKSSA-N 1 2 292.299 -1.259 20 0 CAADLO CC[C@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnc(C)[nH]2)C1 ZINC001076808624 775758305 /nfs/dbraw/zinc/75/83/05/775758305.db2.gz LZQUSAASAZCYAC-GMTAPVOTSA-N 1 2 295.343 -1.243 20 0 CAADLO CC[C@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnc(C)[nH]2)C1 ZINC001076808624 775758308 /nfs/dbraw/zinc/75/83/08/775758308.db2.gz LZQUSAASAZCYAC-GMTAPVOTSA-N 1 2 295.343 -1.243 20 0 CAADLO CC[C@@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnc(C)[nH]2)C1 ZINC001076808625 775758320 /nfs/dbraw/zinc/75/83/20/775758320.db2.gz LZQUSAASAZCYAC-OUAUKWLOSA-N 1 2 295.343 -1.243 20 0 CAADLO CC[C@@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnc(C)[nH]2)C1 ZINC001076808625 775758322 /nfs/dbraw/zinc/75/83/22/775758322.db2.gz LZQUSAASAZCYAC-OUAUKWLOSA-N 1 2 295.343 -1.243 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cc[nH]n2)C1 ZINC001076830000 775760418 /nfs/dbraw/zinc/76/04/18/775760418.db2.gz JIKUQQHPQLMLIC-JMJZKYOTSA-N 1 2 295.343 -1.752 20 0 CAADLO CNC(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cc[nH]n2)C1 ZINC001076830000 775760429 /nfs/dbraw/zinc/76/04/29/775760429.db2.gz JIKUQQHPQLMLIC-JMJZKYOTSA-N 1 2 295.343 -1.752 20 0 CAADLO CC[C@@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2ccon2)C1 ZINC001076821653 775760600 /nfs/dbraw/zinc/76/06/00/775760600.db2.gz VMGOLQUXULFEMC-OUAUKWLOSA-N 1 2 296.327 -1.358 20 0 CAADLO CC[C@@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2ccon2)C1 ZINC001076821653 775760614 /nfs/dbraw/zinc/76/06/14/775760614.db2.gz VMGOLQUXULFEMC-OUAUKWLOSA-N 1 2 296.327 -1.358 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cc[nH]n2)C1 ZINC001076828927 775761020 /nfs/dbraw/zinc/76/10/20/775761020.db2.gz SIILVPXIRBSYHC-FXBDTBDDSA-N 1 2 281.316 -2.013 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cc[nH]n2)C1 ZINC001076828927 775761027 /nfs/dbraw/zinc/76/10/27/775761027.db2.gz SIILVPXIRBSYHC-FXBDTBDDSA-N 1 2 281.316 -2.013 20 0 CAADLO CC[C@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cc[nH]n2)C1 ZINC001076829644 775761233 /nfs/dbraw/zinc/76/12/33/775761233.db2.gz DMSSLEUGGJLYHU-GMTAPVOTSA-N 1 2 295.343 -1.623 20 0 CAADLO CC[C@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cc[nH]n2)C1 ZINC001076829644 775761239 /nfs/dbraw/zinc/76/12/39/775761239.db2.gz DMSSLEUGGJLYHU-GMTAPVOTSA-N 1 2 295.343 -1.623 20 0 CAADLO O=C(Cc1cc[nH]n1)N[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@H]1O ZINC001076829134 775761928 /nfs/dbraw/zinc/76/19/28/775761928.db2.gz XNJPCTZSMZFBTA-GMTAPVOTSA-N 1 2 293.327 -1.998 20 0 CAADLO O=C(Cc1cc[nH]n1)N[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@H]1O ZINC001076829134 775761937 /nfs/dbraw/zinc/76/19/37/775761937.db2.gz XNJPCTZSMZFBTA-GMTAPVOTSA-N 1 2 293.327 -1.998 20 0 CAADLO Cc1[nH]ccc1C(=O)N[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@H]1O ZINC001076860608 775765964 /nfs/dbraw/zinc/76/59/64/775765964.db2.gz ISDPSKICRXFJNJ-IJLUTSLNSA-N 1 2 292.339 -1.013 20 0 CAADLO Cc1[nH]ccc1C(=O)N[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@H]1O ZINC001076860608 775765967 /nfs/dbraw/zinc/76/59/67/775765967.db2.gz ISDPSKICRXFJNJ-IJLUTSLNSA-N 1 2 292.339 -1.013 20 0 CAADLO O=C(N[C@@H]1C[N@@H+](CCF)C[C@H]1O)[C@H]1CCNC(=O)C1 ZINC001076874119 775766670 /nfs/dbraw/zinc/76/66/70/775766670.db2.gz SUCISIJFVMDSSN-IVZWLZJFSA-N 1 2 273.308 -1.357 20 0 CAADLO O=C(N[C@@H]1C[N@H+](CCF)C[C@H]1O)[C@H]1CCNC(=O)C1 ZINC001076874119 775766680 /nfs/dbraw/zinc/76/66/80/775766680.db2.gz SUCISIJFVMDSSN-IVZWLZJFSA-N 1 2 273.308 -1.357 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccn(C)c2)C1 ZINC001076881435 775768847 /nfs/dbraw/zinc/76/88/47/775768847.db2.gz NSXXQJWBSMLVJB-MVWJERBFSA-N 1 2 294.355 -1.066 20 0 CAADLO CNC(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccn(C)c2)C1 ZINC001076881435 775768850 /nfs/dbraw/zinc/76/88/50/775768850.db2.gz NSXXQJWBSMLVJB-MVWJERBFSA-N 1 2 294.355 -1.066 20 0 CAADLO O=C(CN1CCOCC1)N[C@@H]1C[N@@H+](CCF)C[C@H]1O ZINC001076902457 775770495 /nfs/dbraw/zinc/77/04/95/775770495.db2.gz ZVRXOORZFHNKAH-GHMZBOCLSA-N 1 2 275.324 -1.551 20 0 CAADLO O=C(CN1CCOCC1)N[C@@H]1C[N@H+](CCF)C[C@H]1O ZINC001076902457 775770501 /nfs/dbraw/zinc/77/05/01/775770501.db2.gz ZVRXOORZFHNKAH-GHMZBOCLSA-N 1 2 275.324 -1.551 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2ccoc2)C1 ZINC001076911646 775770574 /nfs/dbraw/zinc/77/05/74/775770574.db2.gz VOQZXZYKHPVCSI-FBIMIBRVSA-N 1 2 281.312 -1.143 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2ccoc2)C1 ZINC001076911646 775770581 /nfs/dbraw/zinc/77/05/81/775770581.db2.gz VOQZXZYKHPVCSI-FBIMIBRVSA-N 1 2 281.312 -1.143 20 0 CAADLO O=C(N[C@@H]1C[N@H+](CCO)C[C@H]1O)c1ncccc1O ZINC001076917191 775774500 /nfs/dbraw/zinc/77/45/00/775774500.db2.gz VOGFQGSJSNUKDG-PSASIEDQSA-N 1 2 267.285 -1.446 20 0 CAADLO O=C(N[C@@H]1C[N@@H+](CCO)C[C@H]1O)c1ncccc1O ZINC001076917191 775774509 /nfs/dbraw/zinc/77/45/09/775774509.db2.gz VOGFQGSJSNUKDG-PSASIEDQSA-N 1 2 267.285 -1.446 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2ccnn2C)C1 ZINC001076933299 775776990 /nfs/dbraw/zinc/77/69/90/775776990.db2.gz UKEBEPQKRCVPGO-JMJZKYOTSA-N 1 2 295.343 -2.002 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2ccnn2C)C1 ZINC001076933299 775776997 /nfs/dbraw/zinc/77/69/97/775776997.db2.gz UKEBEPQKRCVPGO-JMJZKYOTSA-N 1 2 295.343 -2.002 20 0 CAADLO CC(=O)N1CC(C(=O)N[C@@H]2C[N@H+]([C@H](C)C(N)=O)C[C@H]2O)C1 ZINC001076931780 775778267 /nfs/dbraw/zinc/77/82/67/775778267.db2.gz YUWLKPRZOYQQKL-AVPPRXQKSA-N 1 2 298.343 -2.500 20 0 CAADLO CC(=O)N1CC(C(=O)N[C@@H]2C[N@@H+]([C@H](C)C(N)=O)C[C@H]2O)C1 ZINC001076931780 775778272 /nfs/dbraw/zinc/77/82/72/775778272.db2.gz YUWLKPRZOYQQKL-AVPPRXQKSA-N 1 2 298.343 -2.500 20 0 CAADLO CC(=O)N1CC(C(=O)N[C@@H]2C[N@H+]([C@@H](C)C(N)=O)C[C@H]2O)C1 ZINC001076931781 775778282 /nfs/dbraw/zinc/77/82/82/775778282.db2.gz YUWLKPRZOYQQKL-WHGOUJPWSA-N 1 2 298.343 -2.500 20 0 CAADLO CC(=O)N1CC(C(=O)N[C@@H]2C[N@@H+]([C@@H](C)C(N)=O)C[C@H]2O)C1 ZINC001076931781 775778285 /nfs/dbraw/zinc/77/82/85/775778285.db2.gz YUWLKPRZOYQQKL-WHGOUJPWSA-N 1 2 298.343 -2.500 20 0 CAADLO Cc1cc[nH]c1C(=O)N[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@H]1O ZINC001076951707 775779697 /nfs/dbraw/zinc/77/96/97/775779697.db2.gz YHCIPGZXCFYWQD-GMTAPVOTSA-N 1 2 292.339 -1.013 20 0 CAADLO Cc1cc[nH]c1C(=O)N[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@H]1O ZINC001076951707 775779702 /nfs/dbraw/zinc/77/97/02/775779702.db2.gz YHCIPGZXCFYWQD-GMTAPVOTSA-N 1 2 292.339 -1.013 20 0 CAADLO C[C@@H](C(=O)N(C)C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ncc[nH]2)C1 ZINC001076971834 775782864 /nfs/dbraw/zinc/78/28/64/775782864.db2.gz VROHLVZMOILXOJ-IVZWLZJFSA-N 1 2 295.343 -1.339 20 0 CAADLO C[C@@H](C(=O)N(C)C)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ncc[nH]2)C1 ZINC001076971834 775782875 /nfs/dbraw/zinc/78/28/75/775782875.db2.gz VROHLVZMOILXOJ-IVZWLZJFSA-N 1 2 295.343 -1.339 20 0 CAADLO Cc1nc(CC(=O)N[C@@H]2C[N@H+](C[C@H](C)O)C[C@H]2O)n[nH]1 ZINC001076980693 775785041 /nfs/dbraw/zinc/78/50/41/775785041.db2.gz PYULUQJOFXUFBV-FXBDTBDDSA-N 1 2 283.332 -1.802 20 0 CAADLO Cc1nc(CC(=O)N[C@@H]2C[N@@H+](C[C@H](C)O)C[C@H]2O)n[nH]1 ZINC001076980693 775785047 /nfs/dbraw/zinc/78/50/47/775785047.db2.gz PYULUQJOFXUFBV-FXBDTBDDSA-N 1 2 283.332 -1.802 20 0 CAADLO Cc1nc(CC(=O)N[C@@H]2C[N@H+](CCCO)C[C@H]2O)n[nH]1 ZINC001076978456 775785498 /nfs/dbraw/zinc/78/54/98/775785498.db2.gz QEDWGQBVTPVQFW-NXEZZACHSA-N 1 2 283.332 -1.801 20 0 CAADLO Cc1nc(CC(=O)N[C@@H]2C[N@@H+](CCCO)C[C@H]2O)n[nH]1 ZINC001076978456 775785506 /nfs/dbraw/zinc/78/55/06/775785506.db2.gz QEDWGQBVTPVQFW-NXEZZACHSA-N 1 2 283.332 -1.801 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2ccn(C)n2)C1 ZINC001076974747 775785780 /nfs/dbraw/zinc/78/57/80/775785780.db2.gz FSRGXFINXIWMAX-JMJZKYOTSA-N 1 2 295.343 -2.002 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2ccn(C)n2)C1 ZINC001076974747 775785789 /nfs/dbraw/zinc/78/57/89/775785789.db2.gz FSRGXFINXIWMAX-JMJZKYOTSA-N 1 2 295.343 -2.002 20 0 CAADLO CC[C@@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2n[nH]cc2C)C1 ZINC001076974788 775785877 /nfs/dbraw/zinc/78/58/77/775785877.db2.gz HHNJYUNTAZVZGZ-KXUCPTDWSA-N 1 2 295.343 -1.243 20 0 CAADLO CC[C@@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2n[nH]cc2C)C1 ZINC001076974788 775785886 /nfs/dbraw/zinc/78/58/86/775785886.db2.gz HHNJYUNTAZVZGZ-KXUCPTDWSA-N 1 2 295.343 -1.243 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2ccn(C)n2)C1 ZINC001076974746 775786474 /nfs/dbraw/zinc/78/64/74/775786474.db2.gz FSRGXFINXIWMAX-FBIMIBRVSA-N 1 2 295.343 -2.002 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2ccn(C)n2)C1 ZINC001076974746 775786479 /nfs/dbraw/zinc/78/64/79/775786479.db2.gz FSRGXFINXIWMAX-FBIMIBRVSA-N 1 2 295.343 -2.002 20 0 CAADLO COc1cc(C(=O)N[C@@H]2C[N@H+](CCO)C[C@H]2O)sn1 ZINC001077019002 775787120 /nfs/dbraw/zinc/78/71/20/775787120.db2.gz HZHBPMIZZUTBFY-HTQZYQBOSA-N 1 2 287.341 -1.081 20 0 CAADLO COc1cc(C(=O)N[C@@H]2C[N@@H+](CCO)C[C@H]2O)sn1 ZINC001077019002 775787127 /nfs/dbraw/zinc/78/71/27/775787127.db2.gz HZHBPMIZZUTBFY-HTQZYQBOSA-N 1 2 287.341 -1.081 20 0 CAADLO O=C(Cn1ncnn1)N[C@@H]1C[N@@H+](CCF)C[C@H]1O ZINC001077003100 775788104 /nfs/dbraw/zinc/78/81/04/775788104.db2.gz SKZKZLKVWRLYFB-HTQZYQBOSA-N 1 2 258.257 -2.196 20 0 CAADLO O=C(Cn1ncnn1)N[C@@H]1C[N@H+](CCF)C[C@H]1O ZINC001077003100 775788109 /nfs/dbraw/zinc/78/81/09/775788109.db2.gz SKZKZLKVWRLYFB-HTQZYQBOSA-N 1 2 258.257 -2.196 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2ncnn2)C1 ZINC001077004208 775788263 /nfs/dbraw/zinc/78/82/63/775788263.db2.gz SJMABUIXRYAFAH-IWSPIJDZSA-N 1 2 297.319 -3.031 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2ncnn2)C1 ZINC001077004208 775788267 /nfs/dbraw/zinc/78/82/67/775788267.db2.gz SJMABUIXRYAFAH-IWSPIJDZSA-N 1 2 297.319 -3.031 20 0 CAADLO O=C(Cn1ncnn1)N[C@@H]1C[N@@H+](C/C=C/Cl)C[C@H]1O ZINC001077004195 775788737 /nfs/dbraw/zinc/78/87/37/775788737.db2.gz ROMZEQJBJUNFRC-NPIHWTNLSA-N 1 2 286.723 -1.413 20 0 CAADLO O=C(Cn1ncnn1)N[C@@H]1C[N@H+](C/C=C/Cl)C[C@H]1O ZINC001077004195 775788741 /nfs/dbraw/zinc/78/87/41/775788741.db2.gz ROMZEQJBJUNFRC-NPIHWTNLSA-N 1 2 286.723 -1.413 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc[nH]c2)C1 ZINC001077042687 775789764 /nfs/dbraw/zinc/78/97/64/775789764.db2.gz RLSPNZFNNAQMRL-JMJZKYOTSA-N 1 2 280.328 -1.076 20 0 CAADLO CNC(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc[nH]c2)C1 ZINC001077042687 775789777 /nfs/dbraw/zinc/78/97/77/775789777.db2.gz RLSPNZFNNAQMRL-JMJZKYOTSA-N 1 2 280.328 -1.076 20 0 CAADLO CN(C)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@]23C[C@H]2COC3)C1 ZINC001077030457 775789925 /nfs/dbraw/zinc/78/99/25/775789925.db2.gz LIGOWBMCEZCQRM-OXIWPEFWSA-N 1 2 297.355 -1.728 20 0 CAADLO CN(C)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@]23C[C@H]2COC3)C1 ZINC001077030457 775789931 /nfs/dbraw/zinc/78/99/31/775789931.db2.gz LIGOWBMCEZCQRM-OXIWPEFWSA-N 1 2 297.355 -1.728 20 0 CAADLO C[C@@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2CS(=O)(=O)C2)C1 ZINC001077055567 775791655 /nfs/dbraw/zinc/79/16/55/775791655.db2.gz SNDMJYWSBUALEF-SZEHBUNVSA-N 1 2 292.357 -2.427 20 0 CAADLO C[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C2CS(=O)(=O)C2)C1 ZINC001077055567 775791659 /nfs/dbraw/zinc/79/16/59/775791659.db2.gz SNDMJYWSBUALEF-SZEHBUNVSA-N 1 2 292.357 -2.427 20 0 CAADLO CC[C@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2nccn2)C1 ZINC001077063170 775792564 /nfs/dbraw/zinc/79/25/64/775792564.db2.gz BFOQGWLRBWFITD-OPRDCNLKSA-N 1 2 296.331 -2.297 20 0 CAADLO CC[C@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2nccn2)C1 ZINC001077063170 775792567 /nfs/dbraw/zinc/79/25/67/775792567.db2.gz BFOQGWLRBWFITD-OPRDCNLKSA-N 1 2 296.331 -2.297 20 0 CAADLO C[C@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2CS(=O)(=O)C2)C1 ZINC001077055565 775792581 /nfs/dbraw/zinc/79/25/81/775792581.db2.gz SNDMJYWSBUALEF-FXBDTBDDSA-N 1 2 292.357 -2.427 20 0 CAADLO C[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C2CS(=O)(=O)C2)C1 ZINC001077055565 775792588 /nfs/dbraw/zinc/79/25/88/775792588.db2.gz SNDMJYWSBUALEF-FXBDTBDDSA-N 1 2 292.357 -2.427 20 0 CAADLO C[C@@H](CCNC(=O)Cn1cc[nH+]c1)NC(=O)CNC(N)=O ZINC001077184831 775802108 /nfs/dbraw/zinc/80/21/08/775802108.db2.gz XANIONVDWLZJBB-VIFPVBQESA-N 1 2 296.331 -1.438 20 0 CAADLO Cc1[nH]c(=O)[nH]c1C(=O)N[C@@H]1C[N@H+]([C@@H](C)C(N)=O)C[C@H]1O ZINC001077184142 775803329 /nfs/dbraw/zinc/80/33/29/775803329.db2.gz RBVSFXOLOLJJPR-XLPZGREQSA-N 1 2 297.315 -1.928 20 0 CAADLO Cc1[nH]c(=O)[nH]c1C(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(N)=O)C[C@H]1O ZINC001077184142 775803336 /nfs/dbraw/zinc/80/33/36/775803336.db2.gz RBVSFXOLOLJJPR-XLPZGREQSA-N 1 2 297.315 -1.928 20 0 CAADLO C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CN(CCO)C[C@H]1O ZINC001077236244 775806104 /nfs/dbraw/zinc/80/61/04/775806104.db2.gz HJJZXDICGIOPFC-GRYCIOLGSA-N 1 2 271.361 -1.376 20 0 CAADLO C[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CN(CCO)C[C@H]1O ZINC001077236244 775806114 /nfs/dbraw/zinc/80/61/14/775806114.db2.gz HJJZXDICGIOPFC-GRYCIOLGSA-N 1 2 271.361 -1.376 20 0 CAADLO CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC2CS(=O)(=O)C2)C1 ZINC001077263087 775808744 /nfs/dbraw/zinc/80/87/44/775808744.db2.gz HJGRKOSSBLPHTL-NXEZZACHSA-N 1 2 276.358 -1.398 20 0 CAADLO CC[N@H+]1C[C@@H](O)[C@H](NC(=O)CC2CS(=O)(=O)C2)C1 ZINC001077263087 775808754 /nfs/dbraw/zinc/80/87/54/775808754.db2.gz HJGRKOSSBLPHTL-NXEZZACHSA-N 1 2 276.358 -1.398 20 0 CAADLO O=C(N[C@@H]1C[N@H+](CCCO)C[C@H]1O)c1cn[nH]n1 ZINC001077289607 775810983 /nfs/dbraw/zinc/81/09/83/775810983.db2.gz XSLVDJFFNCRMHW-RKDXNWHRSA-N 1 2 255.278 -2.038 20 0 CAADLO O=C(N[C@@H]1C[N@@H+](CCCO)C[C@H]1O)c1cn[nH]n1 ZINC001077289607 775810993 /nfs/dbraw/zinc/81/09/93/775810993.db2.gz XSLVDJFFNCRMHW-RKDXNWHRSA-N 1 2 255.278 -2.038 20 0 CAADLO O=C(N[C@@H]1C[N@H+](CCCO)C[C@H]1O)c1cnn[nH]1 ZINC001077289607 775811002 /nfs/dbraw/zinc/81/10/02/775811002.db2.gz XSLVDJFFNCRMHW-RKDXNWHRSA-N 1 2 255.278 -2.038 20 0 CAADLO O=C(N[C@@H]1C[N@@H+](CCCO)C[C@H]1O)c1cnn[nH]1 ZINC001077289607 775811008 /nfs/dbraw/zinc/81/10/08/775811008.db2.gz XSLVDJFFNCRMHW-RKDXNWHRSA-N 1 2 255.278 -2.038 20 0 CAADLO O=C(CN1CCCNC1=O)N[C@@H]1C[N@@H+](CCF)C[C@H]1O ZINC001077296951 775811644 /nfs/dbraw/zinc/81/16/44/775811644.db2.gz MEILTKPXDYMUDU-NXEZZACHSA-N 1 2 288.323 -1.468 20 0 CAADLO O=C(CN1CCCNC1=O)N[C@@H]1C[N@H+](CCF)C[C@H]1O ZINC001077296951 775811655 /nfs/dbraw/zinc/81/16/55/775811655.db2.gz MEILTKPXDYMUDU-NXEZZACHSA-N 1 2 288.323 -1.468 20 0 CAADLO O=C(N[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1O)c1cn[nH]n1 ZINC001077289473 775812446 /nfs/dbraw/zinc/81/24/46/775812446.db2.gz QXHGICFMOGXSMS-NXEZZACHSA-N 1 2 292.303 -2.129 20 0 CAADLO O=C(N[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1O)c1cn[nH]n1 ZINC001077289473 775812457 /nfs/dbraw/zinc/81/24/57/775812457.db2.gz QXHGICFMOGXSMS-NXEZZACHSA-N 1 2 292.303 -2.129 20 0 CAADLO C[C@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cn[nH]n2)C1 ZINC001077288109 775813119 /nfs/dbraw/zinc/81/31/19/775813119.db2.gz FILIQPHZPVBTEQ-NBEYISGCSA-N 1 2 255.278 -2.040 20 0 CAADLO C[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cn[nH]n2)C1 ZINC001077288109 775813125 /nfs/dbraw/zinc/81/31/25/775813125.db2.gz FILIQPHZPVBTEQ-NBEYISGCSA-N 1 2 255.278 -2.040 20 0 CAADLO C[C@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn[nH]2)C1 ZINC001077288109 775813136 /nfs/dbraw/zinc/81/31/36/775813136.db2.gz FILIQPHZPVBTEQ-NBEYISGCSA-N 1 2 255.278 -2.040 20 0 CAADLO C[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn[nH]2)C1 ZINC001077288109 775813140 /nfs/dbraw/zinc/81/31/40/775813140.db2.gz FILIQPHZPVBTEQ-NBEYISGCSA-N 1 2 255.278 -2.040 20 0 CAADLO CCc1nnsc1C(=O)N[C@@H]1C[N@H+](CCO)C[C@H]1O ZINC001077328071 775817350 /nfs/dbraw/zinc/81/73/50/775817350.db2.gz KYHHVLYQBOTWHT-RKDXNWHRSA-N 1 2 286.357 -1.132 20 0 CAADLO CCc1nnsc1C(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1O ZINC001077328071 775817355 /nfs/dbraw/zinc/81/73/55/775817355.db2.gz KYHHVLYQBOTWHT-RKDXNWHRSA-N 1 2 286.357 -1.132 20 0 CAADLO CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2CCS(=O)(=O)C2)C1 ZINC001077332281 775817597 /nfs/dbraw/zinc/81/75/97/775817597.db2.gz UMVKYHVERHIPSU-GMTAPVOTSA-N 1 2 290.385 -1.008 20 0 CAADLO CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2CCS(=O)(=O)C2)C1 ZINC001077332281 775817607 /nfs/dbraw/zinc/81/76/07/775817607.db2.gz UMVKYHVERHIPSU-GMTAPVOTSA-N 1 2 290.385 -1.008 20 0 CAADLO CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCS(=O)(=O)C2)C1 ZINC001077335135 775817728 /nfs/dbraw/zinc/81/77/28/775817728.db2.gz BBMOJHKWNMSTHG-GMTAPVOTSA-N 1 2 290.385 -1.008 20 0 CAADLO CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCS(=O)(=O)C2)C1 ZINC001077335135 775817737 /nfs/dbraw/zinc/81/77/37/775817737.db2.gz BBMOJHKWNMSTHG-GMTAPVOTSA-N 1 2 290.385 -1.008 20 0 CAADLO C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CN(CCO)C[C@@H]1O ZINC001083571678 775817979 /nfs/dbraw/zinc/81/79/79/775817979.db2.gz HJJZXDICGIOPFC-UTUOFQBUSA-N 1 2 271.361 -1.376 20 0 CAADLO C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CN(CCO)C[C@@H]1O ZINC001083571678 775817986 /nfs/dbraw/zinc/81/79/86/775817986.db2.gz HJJZXDICGIOPFC-UTUOFQBUSA-N 1 2 271.361 -1.376 20 0 CAADLO CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCS(=O)(=O)C2)C1 ZINC001077333630 775818425 /nfs/dbraw/zinc/81/84/25/775818425.db2.gz MVYQZPXUUACORP-IVZWLZJFSA-N 1 2 276.358 -1.398 20 0 CAADLO CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCS(=O)(=O)C2)C1 ZINC001077333630 775818434 /nfs/dbraw/zinc/81/84/34/775818434.db2.gz MVYQZPXUUACORP-IVZWLZJFSA-N 1 2 276.358 -1.398 20 0 CAADLO COc1coc(C(=O)N[C@@H]2C[N@H+](CCO)C[C@H]2O)cc1=O ZINC001077388990 775822445 /nfs/dbraw/zinc/82/24/45/775822445.db2.gz DHZGGCHCRLBJKA-PSASIEDQSA-N 1 2 298.295 -1.584 20 0 CAADLO COc1coc(C(=O)N[C@@H]2C[N@@H+](CCO)C[C@H]2O)cc1=O ZINC001077388990 775822454 /nfs/dbraw/zinc/82/24/54/775822454.db2.gz DHZGGCHCRLBJKA-PSASIEDQSA-N 1 2 298.295 -1.584 20 0 CAADLO CN1CC[C@H](C(=O)N[C@@H]2C[N@H+](CCF)C[C@@H]2O)CC1=O ZINC001083577890 775822975 /nfs/dbraw/zinc/82/29/75/775822975.db2.gz MPOFBMBIKCNHPM-AXFHLTTASA-N 1 2 287.335 -1.014 20 0 CAADLO CN1CC[C@H](C(=O)N[C@@H]2C[N@@H+](CCF)C[C@@H]2O)CC1=O ZINC001083577890 775822982 /nfs/dbraw/zinc/82/29/82/775822982.db2.gz MPOFBMBIKCNHPM-AXFHLTTASA-N 1 2 287.335 -1.014 20 0 CAADLO Cc1cncn1CC(=O)N[C@@H]1C[N@H+](CCO)C[C@H]1O ZINC001077392787 775823695 /nfs/dbraw/zinc/82/36/95/775823695.db2.gz QLKUOAXUAYJZAQ-GHMZBOCLSA-N 1 2 268.317 -1.655 20 0 CAADLO Cc1cncn1CC(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1O ZINC001077392787 775823700 /nfs/dbraw/zinc/82/37/00/775823700.db2.gz QLKUOAXUAYJZAQ-GHMZBOCLSA-N 1 2 268.317 -1.655 20 0 CAADLO CC[N@H+]1C[C@@H](NC(=O)CC2CS(=O)(=O)C2)[C@@H](O)C1 ZINC001083585151 775825008 /nfs/dbraw/zinc/82/50/08/775825008.db2.gz HJGRKOSSBLPHTL-ZJUUUORDSA-N 1 2 276.358 -1.398 20 0 CAADLO CC[N@@H+]1C[C@@H](NC(=O)CC2CS(=O)(=O)C2)[C@@H](O)C1 ZINC001083585151 775825016 /nfs/dbraw/zinc/82/50/16/775825016.db2.gz HJGRKOSSBLPHTL-ZJUUUORDSA-N 1 2 276.358 -1.398 20 0 CAADLO O=C(N[C@@H]1C[N@@H+](CCCF)C[C@@H]1O)c1cn[nH]n1 ZINC001083598044 775829829 /nfs/dbraw/zinc/82/98/29/775829829.db2.gz BYUORTMAEDYBOA-BDAKNGLRSA-N 1 2 257.269 -1.061 20 0 CAADLO O=C(N[C@@H]1C[N@H+](CCCF)C[C@@H]1O)c1cn[nH]n1 ZINC001083598044 775829845 /nfs/dbraw/zinc/82/98/45/775829845.db2.gz BYUORTMAEDYBOA-BDAKNGLRSA-N 1 2 257.269 -1.061 20 0 CAADLO O=C(N[C@@H]1C[N@@H+](CCCF)C[C@@H]1O)c1cnn[nH]1 ZINC001083598044 775829850 /nfs/dbraw/zinc/82/98/50/775829850.db2.gz BYUORTMAEDYBOA-BDAKNGLRSA-N 1 2 257.269 -1.061 20 0 CAADLO O=C(N[C@@H]1C[N@H+](CCCF)C[C@@H]1O)c1cnn[nH]1 ZINC001083598044 775829858 /nfs/dbraw/zinc/82/98/58/775829858.db2.gz BYUORTMAEDYBOA-BDAKNGLRSA-N 1 2 257.269 -1.061 20 0 CAADLO COC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2cn[nH]n2)[C@@H](O)C1 ZINC001083596667 775830319 /nfs/dbraw/zinc/83/03/19/775830319.db2.gz JZXACFUTPKRLGM-QNSHHTMESA-N 1 2 269.305 -1.386 20 0 CAADLO COC[C@@H](C)[N@H+]1C[C@@H](NC(=O)c2cnn[nH]2)[C@@H](O)C1 ZINC001083596667 775830328 /nfs/dbraw/zinc/83/03/28/775830328.db2.gz JZXACFUTPKRLGM-QNSHHTMESA-N 1 2 269.305 -1.386 20 0 CAADLO COC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2cnn[nH]2)[C@@H](O)C1 ZINC001083596667 775830336 /nfs/dbraw/zinc/83/03/36/775830336.db2.gz JZXACFUTPKRLGM-QNSHHTMESA-N 1 2 269.305 -1.386 20 0 CAADLO CO[C@@H](C)C[N@@H+]1C[C@@H](NC(=O)c2cn[nH]n2)[C@@H](O)C1 ZINC001083598351 775830796 /nfs/dbraw/zinc/83/07/96/775830796.db2.gz QQWFFUYMWNGTLL-SFGNSQDASA-N 1 2 269.305 -1.386 20 0 CAADLO CO[C@@H](C)C[N@H+]1C[C@@H](NC(=O)c2cnn[nH]2)[C@@H](O)C1 ZINC001083598351 775830801 /nfs/dbraw/zinc/83/08/01/775830801.db2.gz QQWFFUYMWNGTLL-SFGNSQDASA-N 1 2 269.305 -1.386 20 0 CAADLO CO[C@@H](C)C[N@@H+]1C[C@@H](NC(=O)c2cnn[nH]2)[C@@H](O)C1 ZINC001083598351 775830810 /nfs/dbraw/zinc/83/08/10/775830810.db2.gz QQWFFUYMWNGTLL-SFGNSQDASA-N 1 2 269.305 -1.386 20 0 CAADLO CC(C)[N@H+]1C[C@@H](NC(=O)[C@H]2CCS(=O)(=O)C2)[C@@H](O)C1 ZINC001083618002 775835444 /nfs/dbraw/zinc/83/54/44/775835444.db2.gz MECMDAKWXVZJKS-AXFHLTTASA-N 1 2 290.385 -1.009 20 0 CAADLO CC(C)[N@@H+]1C[C@@H](NC(=O)[C@H]2CCS(=O)(=O)C2)[C@@H](O)C1 ZINC001083618002 775835449 /nfs/dbraw/zinc/83/54/49/775835449.db2.gz MECMDAKWXVZJKS-AXFHLTTASA-N 1 2 290.385 -1.009 20 0 CAADLO COCC(=O)NC[C@@H](O)CNc1nc(N(C)C)nc(C)[nH+]1 ZINC001105701246 775835667 /nfs/dbraw/zinc/83/56/67/775835667.db2.gz URDSYCVTLDXWPR-SECBINFHSA-N 1 2 298.347 -1.219 20 0 CAADLO CC[N@H+]1C[C@@H](NC(=O)C[C@@H]2CCS(=O)(=O)C2)[C@@H](O)C1 ZINC001083616572 775835766 /nfs/dbraw/zinc/83/57/66/775835766.db2.gz UMVKYHVERHIPSU-AXFHLTTASA-N 1 2 290.385 -1.008 20 0 CAADLO CC[N@@H+]1C[C@@H](NC(=O)C[C@@H]2CCS(=O)(=O)C2)[C@@H](O)C1 ZINC001083616572 775835773 /nfs/dbraw/zinc/83/57/73/775835773.db2.gz UMVKYHVERHIPSU-AXFHLTTASA-N 1 2 290.385 -1.008 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CC[C@@H]1CNC(=O)c1cnc[nH]c1=O ZINC001038382421 775842598 /nfs/dbraw/zinc/84/25/98/775842598.db2.gz SPUSRNKDIILSIZ-HTQZYQBOSA-N 1 2 279.300 -1.140 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CC[C@@H]1CNC(=O)c1cnc[nH]c1=O ZINC001038382421 775842608 /nfs/dbraw/zinc/84/26/08/775842608.db2.gz SPUSRNKDIILSIZ-HTQZYQBOSA-N 1 2 279.300 -1.140 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CC[C@H]1CNC(=O)c1cnc[nH]c1=O ZINC001038382427 775842759 /nfs/dbraw/zinc/84/27/59/775842759.db2.gz SPUSRNKDIILSIZ-SFYZADRCSA-N 1 2 279.300 -1.140 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CC[C@H]1CNC(=O)c1cnc[nH]c1=O ZINC001038382427 775842761 /nfs/dbraw/zinc/84/27/61/775842761.db2.gz SPUSRNKDIILSIZ-SFYZADRCSA-N 1 2 279.300 -1.140 20 0 CAADLO CCN1CCOC[C@H]1C(=O)N1CC[N@H+](C)[C@@H](CO)C1 ZINC000913545857 775852293 /nfs/dbraw/zinc/85/22/93/775852293.db2.gz BYLITSPYJVLLFG-NEPJUHHUSA-N 1 2 271.361 -1.158 20 0 CAADLO CCN1CCOC[C@H]1C(=O)N1CC[N@@H+](C)[C@@H](CO)C1 ZINC000913545857 775852302 /nfs/dbraw/zinc/85/23/02/775852302.db2.gz BYLITSPYJVLLFG-NEPJUHHUSA-N 1 2 271.361 -1.158 20 0 CAADLO CCN1CCOC[C@@H]1C(=O)N1CC[N@H+](C)[C@H](CO)C1 ZINC000913545858 775852375 /nfs/dbraw/zinc/85/23/75/775852375.db2.gz BYLITSPYJVLLFG-NWDGAFQWSA-N 1 2 271.361 -1.158 20 0 CAADLO CCN1CCOC[C@@H]1C(=O)N1CC[N@@H+](C)[C@H](CO)C1 ZINC000913545858 775852382 /nfs/dbraw/zinc/85/23/82/775852382.db2.gz BYLITSPYJVLLFG-NWDGAFQWSA-N 1 2 271.361 -1.158 20 0 CAADLO Cc1nc(NC[C@@H](O)CNC(=O)[C@H]2CCC(=O)N2)cc[nH+]1 ZINC001105751140 775857332 /nfs/dbraw/zinc/85/73/32/775857332.db2.gz WBFKJSLPOGBTCD-NXEZZACHSA-N 1 2 293.327 -1.047 20 0 CAADLO NC(=O)C(=O)N1CC[C@@H](CCNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001060275741 775858637 /nfs/dbraw/zinc/85/86/37/775858637.db2.gz PUJLRINUDUNFNN-SECBINFHSA-N 1 2 293.327 -1.208 20 0 CAADLO NC(=O)C(=O)N1CC[C@H](CCNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001060273662 775859481 /nfs/dbraw/zinc/85/94/81/775859481.db2.gz LZXQKWBLTBTBSI-VIFPVBQESA-N 1 2 293.327 -1.208 20 0 CAADLO Cc1nc(NC[C@@H](O)CNC(=O)[C@H](C)NC(N)=O)cc[nH+]1 ZINC001105800624 775863417 /nfs/dbraw/zinc/86/34/17/775863417.db2.gz WBBLXXYFMXSUGK-IONNQARKSA-N 1 2 296.331 -1.269 20 0 CAADLO Cc1nc(NC[C@H](O)CNC(=O)[C@H](C)NC(N)=O)cc[nH+]1 ZINC001105800623 775864062 /nfs/dbraw/zinc/86/40/62/775864062.db2.gz WBBLXXYFMXSUGK-CBAPKCEASA-N 1 2 296.331 -1.269 20 0 CAADLO CNC(=O)CC(=O)NC[C@@H](O)CNc1cc[nH+]c(C)n1 ZINC001105799082 775864494 /nfs/dbraw/zinc/86/44/94/775864494.db2.gz UAOXNZNOFCUXSW-VIFPVBQESA-N 1 2 281.316 -1.190 20 0 CAADLO CNC(=O)CC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@H]1OC ZINC001212168084 775866195 /nfs/dbraw/zinc/86/61/95/775866195.db2.gz QNDMDQALEHNLKA-OPRDCNLKSA-N 1 2 298.343 -2.174 20 0 CAADLO CNC(=O)CC(=O)N[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@H]1OC ZINC001212168084 775866199 /nfs/dbraw/zinc/86/61/99/775866199.db2.gz QNDMDQALEHNLKA-OPRDCNLKSA-N 1 2 298.343 -2.174 20 0 CAADLO C[C@@H](CC(=O)NCC[NH2+]Cc1nc(=O)n(C)[nH]1)NC(N)=O ZINC001127163336 775870334 /nfs/dbraw/zinc/87/03/34/775870334.db2.gz TWYQQHKEXUSHNS-ZETCQYMHSA-N 1 2 299.335 -2.239 20 0 CAADLO Cc1nc(NC[C@H](O)CNC(=O)Cn2nccn2)cc[nH+]1 ZINC001105980279 775873898 /nfs/dbraw/zinc/87/38/98/775873898.db2.gz OXBQZOVXKHYMIQ-JTQLQIEISA-N 1 2 291.315 -1.034 20 0 CAADLO CC(=O)N1CC[NH+](CCN2C(=O)CNC2=O)CC1 ZINC000129917671 775876905 /nfs/dbraw/zinc/87/69/05/775876905.db2.gz MESPAKRXYNGUIC-UHFFFAOYSA-N 1 2 254.290 -1.298 20 0 CAADLO Cc1nc(C(=O)NC2C[NH+](CCO)C2)c(=O)[nH]c1C ZINC001030505566 775877189 /nfs/dbraw/zinc/87/71/89/775877189.db2.gz IXGSQPSMGZDHGW-UHFFFAOYSA-N 1 2 266.301 -1.207 20 0 CAADLO O=C(Cn1ccc(=O)[nH]c1=O)NC1C[NH+](CCO)C1 ZINC001030626350 775881024 /nfs/dbraw/zinc/88/10/24/775881024.db2.gz DWDSTQOFSLPPDC-UHFFFAOYSA-N 1 2 268.273 -2.258 20 0 CAADLO O=C(Cn1ccc(=O)[nH]c1=O)NC1C[NH+](CCCO)C1 ZINC001030626448 775881963 /nfs/dbraw/zinc/88/19/63/775881963.db2.gz HEAKUZYDTUBKHL-UHFFFAOYSA-N 1 2 282.300 -1.868 20 0 CAADLO NC(=O)N1CCC[C@H](C(=O)NC2C[NH+](CCCO)C2)C1 ZINC001030637591 775882271 /nfs/dbraw/zinc/88/22/71/775882271.db2.gz WFSYYLZCZVAOIA-JTQLQIEISA-N 1 2 284.360 -1.040 20 0 CAADLO NC(=O)N1CCC[C@H](C(=O)NC2C[NH+](CCO)C2)C1 ZINC001030636232 775882864 /nfs/dbraw/zinc/88/28/64/775882864.db2.gz JRWSQQZRQOWVGT-VIFPVBQESA-N 1 2 270.333 -1.430 20 0 CAADLO NC(=O)COc1ccc(C(=O)NC2C[NH+](CCO)C2)cc1 ZINC001030639796 775883950 /nfs/dbraw/zinc/88/39/50/775883950.db2.gz KZXZAYGUUTUYPG-UHFFFAOYSA-N 1 2 293.323 -1.043 20 0 CAADLO Cc1nc(NC[C@@H](O)CNC(=O)[C@H]2CNC(=O)N2)cc[nH+]1 ZINC001106088705 775887829 /nfs/dbraw/zinc/88/78/29/775887829.db2.gz KGJXIUJKRIERJY-RKDXNWHRSA-N 1 2 294.315 -1.645 20 0 CAADLO C[C@@H]1[C@@H](NC(=O)[C@@H]2CCCN2C(N)=O)CC[N@@H+]1CC(N)=O ZINC001089076510 775888347 /nfs/dbraw/zinc/88/83/47/775888347.db2.gz HFMQWALNTBMKBR-UTLUCORTSA-N 1 2 297.359 -1.406 20 0 CAADLO C[C@@H]1[C@@H](NC(=O)[C@@H]2CCCN2C(N)=O)CC[N@H+]1CC(N)=O ZINC001089076510 775888356 /nfs/dbraw/zinc/88/83/56/775888356.db2.gz HFMQWALNTBMKBR-UTLUCORTSA-N 1 2 297.359 -1.406 20 0 CAADLO NC(=O)C[NH2+]CCN(CCO)C(=O)Cc1ncn[nH]1 ZINC001272291056 775888724 /nfs/dbraw/zinc/88/87/24/775888724.db2.gz UIALEMXWLQCORK-UHFFFAOYSA-N 1 2 270.293 -2.757 20 0 CAADLO NC(=O)C[N@@H+]1CCCN(C(=O)c2ccc(=O)[nH]n2)CC1 ZINC000049348824 775889990 /nfs/dbraw/zinc/88/99/90/775889990.db2.gz QHASTAJCIXEYPG-UHFFFAOYSA-N 1 2 279.300 -1.185 20 0 CAADLO NC(=O)C[N@H+]1CCCN(C(=O)c2ccc(=O)[nH]n2)CC1 ZINC000049348824 775890002 /nfs/dbraw/zinc/89/00/02/775890002.db2.gz QHASTAJCIXEYPG-UHFFFAOYSA-N 1 2 279.300 -1.185 20 0 CAADLO Cc1nc(NC[C@@H](O)CNC(=O)C2(C(N)=O)CC2)cc[nH+]1 ZINC001106097249 775890147 /nfs/dbraw/zinc/89/01/47/775890147.db2.gz BSIGHBULOMMPJN-SECBINFHSA-N 1 2 293.327 -1.060 20 0 CAADLO O=C(N[C@@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O)c1cnco1 ZINC001083682318 775894630 /nfs/dbraw/zinc/89/46/30/775894630.db2.gz SLYHOYAQSRGXSW-ZJUUUORDSA-N 1 2 292.299 -1.259 20 0 CAADLO O=C(N[C@@H]1C[N@H+](CCn2cncn2)C[C@@H]1O)c1cnco1 ZINC001083682318 775894639 /nfs/dbraw/zinc/89/46/39/775894639.db2.gz SLYHOYAQSRGXSW-ZJUUUORDSA-N 1 2 292.299 -1.259 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(=O)n2C)C1 ZINC001077511688 775903354 /nfs/dbraw/zinc/90/33/54/775903354.db2.gz ZGKVNFYYSYTNGZ-ZXFLCMHBSA-N 1 2 297.315 -2.226 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(=O)n2C)C1 ZINC001077511688 775903362 /nfs/dbraw/zinc/90/33/62/775903362.db2.gz ZGKVNFYYSYTNGZ-ZXFLCMHBSA-N 1 2 297.315 -2.226 20 0 CAADLO O=C(N[C@@H]1C[N@@H+](CCF)C[C@H]1O)[C@H]1CCNC1=O ZINC001077513016 775906278 /nfs/dbraw/zinc/90/62/78/775906278.db2.gz WFUOSZUOUWNGOF-DJLDLDEBSA-N 1 2 259.281 -1.747 20 0 CAADLO O=C(N[C@@H]1C[N@H+](CCF)C[C@H]1O)[C@H]1CCNC1=O ZINC001077513016 775906290 /nfs/dbraw/zinc/90/62/90/775906290.db2.gz WFUOSZUOUWNGOF-DJLDLDEBSA-N 1 2 259.281 -1.747 20 0 CAADLO O=C(NC[C@H](O)C[NH2+]CCO)C(F)C(F)(F)F ZINC001272426552 775908814 /nfs/dbraw/zinc/90/88/14/775908814.db2.gz USOUHYYWWHUKDX-PHDIDXHHSA-N 1 2 262.203 -1.054 20 0 CAADLO O=C(NC[C@H](O)C[NH2+]CCO)[C@@H](F)C(F)(F)F ZINC001272426552 775908826 /nfs/dbraw/zinc/90/88/26/775908826.db2.gz USOUHYYWWHUKDX-PHDIDXHHSA-N 1 2 262.203 -1.054 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)c2c[nH]c(=O)n2C)[C@@H](O)C1 ZINC001083700038 775918308 /nfs/dbraw/zinc/91/83/08/775918308.db2.gz ZGKVNFYYSYTNGZ-BHNWBGBOSA-N 1 2 297.315 -2.226 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)c2c[nH]c(=O)n2C)[C@@H](O)C1 ZINC001083700038 775918319 /nfs/dbraw/zinc/91/83/19/775918319.db2.gz ZGKVNFYYSYTNGZ-BHNWBGBOSA-N 1 2 297.315 -2.226 20 0 CAADLO C[C@H]1C[C@@H]1C(=O)N[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@@H]1O ZINC001083704523 775919582 /nfs/dbraw/zinc/91/95/82/775919582.db2.gz QPMZBHNIGQAIOS-MMWGEVLESA-N 1 2 269.345 -1.108 20 0 CAADLO C[C@H]1C[C@@H]1C(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@@H]1O ZINC001083704523 775919590 /nfs/dbraw/zinc/91/95/90/775919590.db2.gz QPMZBHNIGQAIOS-MMWGEVLESA-N 1 2 269.345 -1.108 20 0 CAADLO C[C@H]1C[C@@H]1C(=O)N[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]1O ZINC001077524001 775927710 /nfs/dbraw/zinc/92/77/10/775927710.db2.gz QPMZBHNIGQAIOS-UKKRHICBSA-N 1 2 269.345 -1.108 20 0 CAADLO C[C@H]1C[C@@H]1C(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1O ZINC001077524001 775927720 /nfs/dbraw/zinc/92/77/20/775927720.db2.gz QPMZBHNIGQAIOS-UKKRHICBSA-N 1 2 269.345 -1.108 20 0 CAADLO CN1C(=O)COCC12C[NH+](C[C@H]1CCC(=O)N1)C2 ZINC001272528269 775928187 /nfs/dbraw/zinc/92/81/87/775928187.db2.gz SPUNSFYYXRXWPL-SECBINFHSA-N 1 2 253.302 -1.192 20 0 CAADLO CN(C[C@@H]1CCN1C(=O)CC(N)=O)C(=O)Cc1[nH]cc[nH+]1 ZINC001289996261 775929540 /nfs/dbraw/zinc/92/95/40/775929540.db2.gz PDBBKPKSZSKLBX-VIFPVBQESA-N 1 2 293.327 -1.113 20 0 CAADLO O=C(N[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@@H]1O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001083709454 775930569 /nfs/dbraw/zinc/93/05/69/775930569.db2.gz PRGSWUYPKJUJGL-NAFSEIKSSA-N 1 2 295.339 -2.071 20 0 CAADLO O=C(N[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@@H]1O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001083709454 775930581 /nfs/dbraw/zinc/93/05/81/775930581.db2.gz PRGSWUYPKJUJGL-NAFSEIKSSA-N 1 2 295.339 -2.071 20 0 CAADLO CNC(=O)NCC(=O)NC[C@H](O)CNc1cc[nH+]c(C)n1 ZINC001106147638 775933191 /nfs/dbraw/zinc/93/31/91/775933191.db2.gz SRVSEGWKYHRAOY-SECBINFHSA-N 1 2 296.331 -1.397 20 0 CAADLO CC[C@@H](F)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2nnn(C)n2)C1 ZINC001077526637 775938376 /nfs/dbraw/zinc/93/83/76/775938376.db2.gz SYVGMIPMRVLLJG-IWSPIJDZSA-N 1 2 286.311 -1.267 20 0 CAADLO CC[C@@H](F)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2nnn(C)n2)C1 ZINC001077526637 775938390 /nfs/dbraw/zinc/93/83/90/775938390.db2.gz SYVGMIPMRVLLJG-IWSPIJDZSA-N 1 2 286.311 -1.267 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)Cc2cnoc2)[C@@H](O)C1 ZINC001083720256 775943373 /nfs/dbraw/zinc/94/33/73/775943373.db2.gz SUTWNUJIGZPAHB-QNSHHTMESA-N 1 2 282.300 -1.748 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)Cc2cnoc2)[C@@H](O)C1 ZINC001083720256 775943382 /nfs/dbraw/zinc/94/33/82/775943382.db2.gz SUTWNUJIGZPAHB-QNSHHTMESA-N 1 2 282.300 -1.748 20 0 CAADLO CNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)Cc2cnoc2)[C@@H](O)C1 ZINC001083720130 775943947 /nfs/dbraw/zinc/94/39/47/775943947.db2.gz MRBRFYVRKCNSKC-GDPRMGEGSA-N 1 2 296.327 -1.487 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)Cc2cnoc2)[C@@H](O)C1 ZINC001083720130 775943954 /nfs/dbraw/zinc/94/39/54/775943954.db2.gz MRBRFYVRKCNSKC-GDPRMGEGSA-N 1 2 296.327 -1.487 20 0 CAADLO COCC(=O)NCC[NH2+]Cc1nc(N(C)C)no1 ZINC001122316278 775943987 /nfs/dbraw/zinc/94/39/87/775943987.db2.gz GVLLXPKUBHFQCQ-UHFFFAOYSA-N 1 2 257.294 -1.012 20 0 CAADLO CNC(=O)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C(N)=O ZINC001099202329 775948288 /nfs/dbraw/zinc/94/82/88/775948288.db2.gz ABULGYYTJXPFMB-SECBINFHSA-N 1 2 284.360 -1.176 20 0 CAADLO CNC(=O)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C(N)=O ZINC001099202329 775948297 /nfs/dbraw/zinc/94/82/97/775948297.db2.gz ABULGYYTJXPFMB-SECBINFHSA-N 1 2 284.360 -1.176 20 0 CAADLO CN1CC[C@H](C(=O)N[C@@H]2C[N@H+](CCF)C[C@H]2O)C1=O ZINC001077534501 775950225 /nfs/dbraw/zinc/95/02/25/775950225.db2.gz ZTOSGDPVLOUKRF-OPRDCNLKSA-N 1 2 273.308 -1.405 20 0 CAADLO CN1CC[C@H](C(=O)N[C@@H]2C[N@@H+](CCF)C[C@H]2O)C1=O ZINC001077534501 775950232 /nfs/dbraw/zinc/95/02/32/775950232.db2.gz ZTOSGDPVLOUKRF-OPRDCNLKSA-N 1 2 273.308 -1.405 20 0 CAADLO C[N@@H+]1CCN(C(=O)[C@@H]2CSC(=O)N2)[C@H](CO)C1 ZINC000699475137 775954101 /nfs/dbraw/zinc/95/41/01/775954101.db2.gz PSTDBYSNBCCDHR-YUMQZZPRSA-N 1 2 259.331 -1.054 20 0 CAADLO C[N@H+]1CCN(C(=O)[C@@H]2CSC(=O)N2)[C@H](CO)C1 ZINC000699475137 775954113 /nfs/dbraw/zinc/95/41/13/775954113.db2.gz PSTDBYSNBCCDHR-YUMQZZPRSA-N 1 2 259.331 -1.054 20 0 CAADLO O=C(N[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@H]1O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001077536773 775954311 /nfs/dbraw/zinc/95/43/11/775954311.db2.gz PRGSWUYPKJUJGL-OWSRUXPGSA-N 1 2 295.339 -2.071 20 0 CAADLO O=C(N[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@H]1O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001077536773 775954319 /nfs/dbraw/zinc/95/43/19/775954319.db2.gz PRGSWUYPKJUJGL-OWSRUXPGSA-N 1 2 295.339 -2.071 20 0 CAADLO C[N@@H+]1CCN(C(=O)[C@H]2CSC(=O)N2)[C@@H](CO)C1 ZINC000699475134 775955319 /nfs/dbraw/zinc/95/53/19/775955319.db2.gz PSTDBYSNBCCDHR-HTQZYQBOSA-N 1 2 259.331 -1.054 20 0 CAADLO C[N@H+]1CCN(C(=O)[C@H]2CSC(=O)N2)[C@@H](CO)C1 ZINC000699475134 775955327 /nfs/dbraw/zinc/95/53/27/775955327.db2.gz PSTDBYSNBCCDHR-HTQZYQBOSA-N 1 2 259.331 -1.054 20 0 CAADLO O=C(N[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@H]1O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001077536772 775955525 /nfs/dbraw/zinc/95/55/25/775955525.db2.gz PRGSWUYPKJUJGL-OHUUWBQVSA-N 1 2 295.339 -2.071 20 0 CAADLO O=C(N[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@H]1O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001077536772 775955535 /nfs/dbraw/zinc/95/55/35/775955535.db2.gz PRGSWUYPKJUJGL-OHUUWBQVSA-N 1 2 295.339 -2.071 20 0 CAADLO C[C@@H]1C[C@@H]1C(=O)NCC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001122966224 775956234 /nfs/dbraw/zinc/95/62/34/775956234.db2.gz POCVNXZNYQOYCX-SFYZADRCSA-N 1 2 253.306 -1.030 20 0 CAADLO CO[C@@H]1C[N@@H+]([C@H](C)C(N)=O)C[C@H]1NC(=O)CC(C)(C)O ZINC001212205934 775960651 /nfs/dbraw/zinc/96/06/51/775960651.db2.gz BFDWNQFWKKIRSB-OPRDCNLKSA-N 1 2 287.360 -1.163 20 0 CAADLO CO[C@@H]1C[N@H+]([C@H](C)C(N)=O)C[C@H]1NC(=O)CC(C)(C)O ZINC001212205934 775960656 /nfs/dbraw/zinc/96/06/56/775960656.db2.gz BFDWNQFWKKIRSB-OPRDCNLKSA-N 1 2 287.360 -1.163 20 0 CAADLO O=C(N[C@@H]1C[N@H+](CCO)C[C@@H]1O)[C@H]1CCCc2n[nH]nc21 ZINC001083734651 775961775 /nfs/dbraw/zinc/96/17/75/775961775.db2.gz OPJMXGTYWCWRLS-GDPRMGEGSA-N 1 2 295.343 -1.622 20 0 CAADLO O=C(N[C@@H]1C[N@@H+](CCO)C[C@@H]1O)[C@H]1CCCc2n[nH]nc21 ZINC001083734651 775961786 /nfs/dbraw/zinc/96/17/86/775961786.db2.gz OPJMXGTYWCWRLS-GDPRMGEGSA-N 1 2 295.343 -1.622 20 0 CAADLO Cc1noc([C@H](C)[NH2+]CCNC(=O)CNC(N)=O)n1 ZINC001123264412 775964457 /nfs/dbraw/zinc/96/44/57/775964457.db2.gz YHLSKRZIOKYQBG-LURJTMIESA-N 1 2 270.293 -1.187 20 0 CAADLO Cc1nonc1C[NH2+]CCNC(=O)Cn1cnnn1 ZINC001123304811 775965222 /nfs/dbraw/zinc/96/52/22/775965222.db2.gz LNFDAYZFRKORLY-UHFFFAOYSA-N 1 2 266.265 -1.729 20 0 CAADLO CN(C)C(=O)C[N@H+]1C[C@@H](NC(=O)[C@H]2CNC(=O)N2)[C@@H](O)C1 ZINC001083740428 775967743 /nfs/dbraw/zinc/96/77/43/775967743.db2.gz CNQHYZMUTKTRIC-HLTSFMKQSA-N 1 2 299.331 -3.083 20 0 CAADLO CN(C)C(=O)C[N@@H+]1C[C@@H](NC(=O)[C@H]2CNC(=O)N2)[C@@H](O)C1 ZINC001083740428 775967749 /nfs/dbraw/zinc/96/77/49/775967749.db2.gz CNQHYZMUTKTRIC-HLTSFMKQSA-N 1 2 299.331 -3.083 20 0 CAADLO CCc1noc(C)c1C[N@H+]1C[C@@H](NC(=O)C(N)=O)[C@@H](O)C1 ZINC001083743809 775968921 /nfs/dbraw/zinc/96/89/21/775968921.db2.gz IUNQHBUKPQYKGS-MNOVXSKESA-N 1 2 296.327 -1.308 20 0 CAADLO CCc1noc(C)c1C[N@@H+]1C[C@@H](NC(=O)C(N)=O)[C@@H](O)C1 ZINC001083743809 775968924 /nfs/dbraw/zinc/96/89/24/775968924.db2.gz IUNQHBUKPQYKGS-MNOVXSKESA-N 1 2 296.327 -1.308 20 0 CAADLO Cc1ncccc1C[N@H+]1C[C@@H](NC(=O)C(N)=O)[C@@H](O)C1 ZINC001083743792 775969225 /nfs/dbraw/zinc/96/92/25/775969225.db2.gz HTUVNZZFDZIMBB-MNOVXSKESA-N 1 2 278.312 -1.463 20 0 CAADLO Cc1ncccc1C[N@@H+]1C[C@@H](NC(=O)C(N)=O)[C@@H](O)C1 ZINC001083743792 775969235 /nfs/dbraw/zinc/96/92/35/775969235.db2.gz HTUVNZZFDZIMBB-MNOVXSKESA-N 1 2 278.312 -1.463 20 0 CAADLO Cc1nn(C)cc1C[N@H+]1C[C@@H](NC(=O)C(N)=O)[C@@H](O)C1 ZINC001083743819 775969277 /nfs/dbraw/zinc/96/92/77/775969277.db2.gz JCJFLDSQULHNNF-ZJUUUORDSA-N 1 2 281.316 -2.125 20 0 CAADLO Cc1nn(C)cc1C[N@@H+]1C[C@@H](NC(=O)C(N)=O)[C@@H](O)C1 ZINC001083743819 775969282 /nfs/dbraw/zinc/96/92/82/775969282.db2.gz JCJFLDSQULHNNF-ZJUUUORDSA-N 1 2 281.316 -2.125 20 0 CAADLO C[C@@H]([NH2+]C[C@@H]1CN(C(=O)Cc2ncn[nH]2)C[C@H]1C)C(N)=O ZINC001106858081 775969319 /nfs/dbraw/zinc/96/93/19/775969319.db2.gz WSZVGBDNMAUELO-OPRDCNLKSA-N 1 2 294.359 -1.095 20 0 CAADLO Cc1nnsc1C(=O)NCC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001123373784 775969451 /nfs/dbraw/zinc/96/94/51/775969451.db2.gz GIMVXBLNPHZUSS-UHFFFAOYSA-N 1 2 297.344 -1.212 20 0 CAADLO Cc1nc(CC[N@H+]2C[C@@H](NC(=O)C(N)=O)[C@@H](O)C2)cs1 ZINC001083743781 775969511 /nfs/dbraw/zinc/96/95/11/775969511.db2.gz HNYFTXSHJHVQTQ-ZJUUUORDSA-N 1 2 298.368 -1.359 20 0 CAADLO Cc1nc(CC[N@@H+]2C[C@@H](NC(=O)C(N)=O)[C@@H](O)C2)cs1 ZINC001083743781 775969517 /nfs/dbraw/zinc/96/95/17/775969517.db2.gz HNYFTXSHJHVQTQ-ZJUUUORDSA-N 1 2 298.368 -1.359 20 0 CAADLO Cc1ncsc1C[N@H+]1C[C@@H](NC(=O)C(N)=O)[C@@H](O)C1 ZINC001083743891 775969610 /nfs/dbraw/zinc/96/96/10/775969610.db2.gz MSOWAXRGNDNNLI-SFYZADRCSA-N 1 2 284.341 -1.402 20 0 CAADLO Cc1ncsc1C[N@@H+]1C[C@@H](NC(=O)C(N)=O)[C@@H](O)C1 ZINC001083743891 775969617 /nfs/dbraw/zinc/96/96/17/775969617.db2.gz MSOWAXRGNDNNLI-SFYZADRCSA-N 1 2 284.341 -1.402 20 0 CAADLO C[C@H]([NH2+]C[C@@H]1CN(C(=O)Cc2ncn[nH]2)C[C@H]1C)C(N)=O ZINC001106858080 775969732 /nfs/dbraw/zinc/96/97/32/775969732.db2.gz WSZVGBDNMAUELO-KXUCPTDWSA-N 1 2 294.359 -1.095 20 0 CAADLO COc1cccc(C[N@H+]2C[C@@H](NC(=O)C(N)=O)[C@@H](O)C2)c1 ZINC001083744131 775970752 /nfs/dbraw/zinc/97/07/52/775970752.db2.gz YMNSWDVKJOFDQD-NEPJUHHUSA-N 1 2 293.323 -1.158 20 0 CAADLO COc1cccc(C[N@@H+]2C[C@@H](NC(=O)C(N)=O)[C@@H](O)C2)c1 ZINC001083744131 775970760 /nfs/dbraw/zinc/97/07/60/775970760.db2.gz YMNSWDVKJOFDQD-NEPJUHHUSA-N 1 2 293.323 -1.158 20 0 CAADLO Cc1cccnc1C[N@H+]1C[C@@H](NC(=O)C(N)=O)[C@@H](O)C1 ZINC001083744153 775971150 /nfs/dbraw/zinc/97/11/50/775971150.db2.gz ZVYOUGKTGSLXQW-MNOVXSKESA-N 1 2 278.312 -1.463 20 0 CAADLO Cc1cccnc1C[N@@H+]1C[C@@H](NC(=O)C(N)=O)[C@@H](O)C1 ZINC001083744153 775971158 /nfs/dbraw/zinc/97/11/58/775971158.db2.gz ZVYOUGKTGSLXQW-MNOVXSKESA-N 1 2 278.312 -1.463 20 0 CAADLO NC(=O)C(=O)N[C@@H]1C[N@H+](Cc2ccsc2)C[C@@H]1O ZINC001083744560 775973831 /nfs/dbraw/zinc/97/38/31/775973831.db2.gz RUHCIIYCHWDIFT-BDAKNGLRSA-N 1 2 269.326 -1.105 20 0 CAADLO NC(=O)C(=O)N[C@@H]1C[N@@H+](Cc2ccsc2)C[C@@H]1O ZINC001083744560 775973840 /nfs/dbraw/zinc/97/38/40/775973840.db2.gz RUHCIIYCHWDIFT-BDAKNGLRSA-N 1 2 269.326 -1.105 20 0 CAADLO COC[C@@H](C)[N@H+]1C[C@@H](NC(=O)C2=NC(=O)N(C)C2)[C@@H](O)C1 ZINC001083752554 775975106 /nfs/dbraw/zinc/97/51/06/775975106.db2.gz AIGRMYNCSPSCIH-KKZNHRDASA-N 1 2 298.343 -1.065 20 0 CAADLO COC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)C2=NC(=O)N(C)C2)[C@@H](O)C1 ZINC001083752554 775975112 /nfs/dbraw/zinc/97/51/12/775975112.db2.gz AIGRMYNCSPSCIH-KKZNHRDASA-N 1 2 298.343 -1.065 20 0 CAADLO C[C@H](O)C[N@H+]1C[C@@H](NC(=O)C2=NC(=O)N(C)C2)[C@@H](O)C1 ZINC001083752454 775975633 /nfs/dbraw/zinc/97/56/33/775975633.db2.gz VUOIFKDWXLEUFC-XKSSXDPKSA-N 1 2 284.316 -1.719 20 0 CAADLO CN1CC2(CN(CC[NH+]3CCOCC3)C2)OCC1=O ZINC001272662387 775975439 /nfs/dbraw/zinc/97/54/39/775975439.db2.gz YKOKYIPONOULCG-UHFFFAOYSA-N 1 2 269.345 -1.138 20 0 CAADLO C[C@H](O)C[N@@H+]1C[C@@H](NC(=O)C2=NC(=O)N(C)C2)[C@@H](O)C1 ZINC001083752454 775975643 /nfs/dbraw/zinc/97/56/43/775975643.db2.gz VUOIFKDWXLEUFC-XKSSXDPKSA-N 1 2 284.316 -1.719 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)CC2=CCOCC2)[C@@H](O)C1 ZINC001083754331 775977157 /nfs/dbraw/zinc/97/71/57/775977157.db2.gz LRRYSRWOGRCTPY-JLLWLGSASA-N 1 2 297.355 -1.242 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)CC2=CCOCC2)[C@@H](O)C1 ZINC001083754331 775977166 /nfs/dbraw/zinc/97/71/66/775977166.db2.gz LRRYSRWOGRCTPY-JLLWLGSASA-N 1 2 297.355 -1.242 20 0 CAADLO CC[N@H+]1C[C@@H](NC(=O)C2=NC(=O)N(C)C2)[C@@H](O)C1 ZINC001083753091 775978369 /nfs/dbraw/zinc/97/83/69/775978369.db2.gz ZYPBAKGTGLZCMJ-APPZFPTMSA-N 1 2 254.290 -1.080 20 0 CAADLO CC[N@@H+]1C[C@@H](NC(=O)C2=NC(=O)N(C)C2)[C@@H](O)C1 ZINC001083753091 775978374 /nfs/dbraw/zinc/97/83/74/775978374.db2.gz ZYPBAKGTGLZCMJ-APPZFPTMSA-N 1 2 254.290 -1.080 20 0 CAADLO Cc1nnc(C[NH2+]CCNC(=O)Cn2ncnn2)o1 ZINC001127432950 775979114 /nfs/dbraw/zinc/97/91/14/775979114.db2.gz AGTWTKDVWFGBPI-UHFFFAOYSA-N 1 2 266.265 -1.729 20 0 CAADLO C[C@@H](O)C[NH+]1CC(NC(=O)c2cn(C)c(=O)n2C)C1 ZINC001031449264 775981424 /nfs/dbraw/zinc/98/14/24/775981424.db2.gz VVOFVPRJDUWXIX-MRVPVSSYSA-N 1 2 268.317 -1.481 20 0 CAADLO Cc1nnc([C@H](C)[NH2+]CCNC(=O)Cn2ncnn2)o1 ZINC001127443209 775984571 /nfs/dbraw/zinc/98/45/71/775984571.db2.gz QLLFORLSUHRMSI-ZETCQYMHSA-N 1 2 280.292 -1.168 20 0 CAADLO CNC(=O)C[N@@H+]1C[C@@H](NC(=O)CC2(O)CCC2)[C@H](OC)C1 ZINC001212239246 775987750 /nfs/dbraw/zinc/98/77/50/775987750.db2.gz AUTNMFAMHLXFEJ-GHMZBOCLSA-N 1 2 299.371 -1.147 20 0 CAADLO CNC(=O)C[N@H+]1C[C@@H](NC(=O)CC2(O)CCC2)[C@H](OC)C1 ZINC001212239246 775987758 /nfs/dbraw/zinc/98/77/58/775987758.db2.gz AUTNMFAMHLXFEJ-GHMZBOCLSA-N 1 2 299.371 -1.147 20 0 CAADLO CO[C@@H]1C[N@@H+]([C@@H](C)C(N)=O)C[C@H]1NC(=O)CC1(O)CCC1 ZINC001212246083 775988389 /nfs/dbraw/zinc/98/83/89/775988389.db2.gz KHVBROWDFSOLST-HBNTYKKESA-N 1 2 299.371 -1.019 20 0 CAADLO CO[C@@H]1C[N@H+]([C@@H](C)C(N)=O)C[C@H]1NC(=O)CC1(O)CCC1 ZINC001212246083 775988398 /nfs/dbraw/zinc/98/83/98/775988398.db2.gz KHVBROWDFSOLST-HBNTYKKESA-N 1 2 299.371 -1.019 20 0 CAADLO Cc1nc(N2CCCO[C@@H](CNC(=O)C(N)=O)C2)cc[nH+]1 ZINC001089556188 775988687 /nfs/dbraw/zinc/98/86/87/775988687.db2.gz ZQGQMSPKPJZJSL-JTQLQIEISA-N 1 2 293.327 -1.018 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cnoc2)C1 ZINC001077556617 775989396 /nfs/dbraw/zinc/98/93/96/775989396.db2.gz MRBRFYVRKCNSKC-JMJZKYOTSA-N 1 2 296.327 -1.487 20 0 CAADLO CNC(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cnoc2)C1 ZINC001077556617 775989407 /nfs/dbraw/zinc/98/94/07/775989407.db2.gz MRBRFYVRKCNSKC-JMJZKYOTSA-N 1 2 296.327 -1.487 20 0 CAADLO O=C(Cc1cnoc1)N[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@H]1O ZINC001077556324 775990220 /nfs/dbraw/zinc/99/02/20/775990220.db2.gz COGRRIRRWFJWJU-GMTAPVOTSA-N 1 2 294.311 -1.733 20 0 CAADLO O=C(Cc1cnoc1)N[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@H]1O ZINC001077556324 775990227 /nfs/dbraw/zinc/99/02/27/775990227.db2.gz COGRRIRRWFJWJU-GMTAPVOTSA-N 1 2 294.311 -1.733 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cnoc2)C1 ZINC001077557037 775990924 /nfs/dbraw/zinc/99/09/24/775990924.db2.gz SUTWNUJIGZPAHB-SZEHBUNVSA-N 1 2 282.300 -1.748 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cnoc2)C1 ZINC001077557037 775990933 /nfs/dbraw/zinc/99/09/33/775990933.db2.gz SUTWNUJIGZPAHB-SZEHBUNVSA-N 1 2 282.300 -1.748 20 0 CAADLO CN(C)C(=O)C[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001038588159 775991668 /nfs/dbraw/zinc/99/16/68/775991668.db2.gz SZUMODZNQAEYDZ-ZJUUUORDSA-N 1 2 297.359 -1.711 20 0 CAADLO CN(C)C(=O)C[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001038588159 775991678 /nfs/dbraw/zinc/99/16/78/775991678.db2.gz SZUMODZNQAEYDZ-ZJUUUORDSA-N 1 2 297.359 -1.711 20 0 CAADLO CN(C)C(=O)C[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001038588142 775992709 /nfs/dbraw/zinc/99/27/09/775992709.db2.gz SZUMODZNQAEYDZ-NXEZZACHSA-N 1 2 297.359 -1.711 20 0 CAADLO CN(C)C(=O)C[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001038588142 775992720 /nfs/dbraw/zinc/99/27/20/775992720.db2.gz SZUMODZNQAEYDZ-NXEZZACHSA-N 1 2 297.359 -1.711 20 0 CAADLO CC(=O)N(C)[C@H]1C[N@H+](CC(=O)NC2CCOCC2)C[C@@H]1O ZINC001047266587 775993313 /nfs/dbraw/zinc/99/33/13/775993313.db2.gz CHGZIXYIXUFNRX-STQMWFEESA-N 1 2 299.371 -1.195 20 0 CAADLO CC(=O)N(C)[C@H]1C[N@@H+](CC(=O)NC2CCOCC2)C[C@@H]1O ZINC001047266587 775993317 /nfs/dbraw/zinc/99/33/17/775993317.db2.gz CHGZIXYIXUFNRX-STQMWFEESA-N 1 2 299.371 -1.195 20 0 CAADLO CN(C)C(=O)C[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CCC(=O)N1C ZINC001038592419 775998328 /nfs/dbraw/zinc/99/83/28/775998328.db2.gz MACOELICTLVRPB-QWRGUYRKSA-N 1 2 296.371 -1.114 20 0 CAADLO CN(C)C(=O)C[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CCC(=O)N1C ZINC001038592419 775998363 /nfs/dbraw/zinc/99/83/63/775998363.db2.gz MACOELICTLVRPB-QWRGUYRKSA-N 1 2 296.371 -1.114 20 0 CAADLO CC[C@H](C(N)=O)[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCO2)C1 ZINC001047355280 775999841 /nfs/dbraw/zinc/99/98/41/775999841.db2.gz YMGAVDDBCABXQD-RHYQMDGZSA-N 1 2 299.371 -1.067 20 0 CAADLO CC[C@H](C(N)=O)[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCO2)C1 ZINC001047355280 775999848 /nfs/dbraw/zinc/99/98/48/775999848.db2.gz YMGAVDDBCABXQD-RHYQMDGZSA-N 1 2 299.371 -1.067 20 0 CAADLO CS(=O)(=O)CC(=O)NCC[NH2+]Cc1csnn1 ZINC001124361858 776000607 /nfs/dbraw/zinc/00/06/07/776000607.db2.gz FHCITUYBTDSLBF-UHFFFAOYSA-N 1 2 278.359 -1.212 20 0 CAADLO CN(C(=O)C[C@H]1CCNC1=O)[C@H]1C[N@H+](CCF)C[C@@H]1O ZINC001047406515 776002397 /nfs/dbraw/zinc/00/23/97/776002397.db2.gz FDKVBEWCCREFBD-VWYCJHECSA-N 1 2 287.335 -1.014 20 0 CAADLO CN(C(=O)C[C@H]1CCNC1=O)[C@H]1C[N@@H+](CCF)C[C@@H]1O ZINC001047406515 776002403 /nfs/dbraw/zinc/00/24/03/776002403.db2.gz FDKVBEWCCREFBD-VWYCJHECSA-N 1 2 287.335 -1.014 20 0 CAADLO CN(C(=O)[C@H]1CCOC1)[C@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@@H]1O ZINC001047400860 776002934 /nfs/dbraw/zinc/00/29/34/776002934.db2.gz MNVOVQGZUMJNNK-BJDJZHNGSA-N 1 2 297.355 -1.585 20 0 CAADLO CN(C(=O)[C@H]1CCOC1)[C@H]1C[N@H+]([C@H]2CCNC2=O)C[C@@H]1O ZINC001047400860 776002938 /nfs/dbraw/zinc/00/29/38/776002938.db2.gz MNVOVQGZUMJNNK-BJDJZHNGSA-N 1 2 297.355 -1.585 20 0 CAADLO CC[C@H](OC)C(=O)NCC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001124568212 776007307 /nfs/dbraw/zinc/00/73/07/776007307.db2.gz SWYRMCPFMARGMI-QMMMGPOBSA-N 1 2 271.321 -1.261 20 0 CAADLO COC(=O)[C@H]1C[C@@H]1C(=O)NCC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001124664530 776008290 /nfs/dbraw/zinc/00/82/90/776008290.db2.gz XCYTXDUPQLWRSJ-YUMQZZPRSA-N 1 2 297.315 -1.877 20 0 CAADLO Cn1c(C(=O)NC[C@H]2CC[N@@H+]2[C@@H]2CCNC2=O)c[nH]c1=O ZINC001038599531 776009357 /nfs/dbraw/zinc/00/93/57/776009357.db2.gz JHYGVYCJXPVWMK-RKDXNWHRSA-N 1 2 293.327 -1.182 20 0 CAADLO Cn1c(C(=O)NC[C@H]2CC[N@H+]2[C@@H]2CCNC2=O)c[nH]c1=O ZINC001038599531 776009364 /nfs/dbraw/zinc/00/93/64/776009364.db2.gz JHYGVYCJXPVWMK-RKDXNWHRSA-N 1 2 293.327 -1.182 20 0 CAADLO Cn1[nH]c(C[NH2+]CCNC(=O)[C@H]2CCCOC2)nc1=O ZINC001124685635 776010155 /nfs/dbraw/zinc/01/01/55/776010155.db2.gz BOCAJVJHHYYMBG-VIFPVBQESA-N 1 2 283.332 -1.259 20 0 CAADLO Cn1nnc(C(=O)NC[C@H]2CC[N@@H+]2CCn2cncn2)n1 ZINC001038600513 776013831 /nfs/dbraw/zinc/01/38/31/776013831.db2.gz IKUIWZMLEOBTCM-SECBINFHSA-N 1 2 291.319 -1.694 20 0 CAADLO Cn1nnc(C(=O)NC[C@H]2CC[N@H+]2CCn2cncn2)n1 ZINC001038600513 776013835 /nfs/dbraw/zinc/01/38/35/776013835.db2.gz IKUIWZMLEOBTCM-SECBINFHSA-N 1 2 291.319 -1.694 20 0 CAADLO Cn1nnc(C(=O)NC[C@@H]2CC[N@@H+]2CCn2cncn2)n1 ZINC001038600516 776014481 /nfs/dbraw/zinc/01/44/81/776014481.db2.gz IKUIWZMLEOBTCM-VIFPVBQESA-N 1 2 291.319 -1.694 20 0 CAADLO Cn1nnc(C(=O)NC[C@@H]2CC[N@H+]2CCn2cncn2)n1 ZINC001038600516 776014484 /nfs/dbraw/zinc/01/44/84/776014484.db2.gz IKUIWZMLEOBTCM-VIFPVBQESA-N 1 2 291.319 -1.694 20 0 CAADLO CCC(=O)NCC(=O)NCC[NH2+]Cc1nc(N(C)C)no1 ZINC001124872602 776015421 /nfs/dbraw/zinc/01/54/21/776015421.db2.gz LPRKWLWJXFECGW-UHFFFAOYSA-N 1 2 298.347 -1.132 20 0 CAADLO Cc1nc(C)c(C[N@@H+]2C[C@H](O)[C@@H](N(C)C(=O)C(N)=O)C2)o1 ZINC001047510224 776017305 /nfs/dbraw/zinc/01/73/05/776017305.db2.gz JGZAHRQAGSGPLU-UWVGGRQHSA-N 1 2 296.327 -1.220 20 0 CAADLO Cc1nc(C)c(C[N@H+]2C[C@H](O)[C@@H](N(C)C(=O)C(N)=O)C2)o1 ZINC001047510224 776017311 /nfs/dbraw/zinc/01/73/11/776017311.db2.gz JGZAHRQAGSGPLU-UWVGGRQHSA-N 1 2 296.327 -1.220 20 0 CAADLO COCCc1noc(C[NH2+]CCNC(=O)CC(N)=O)n1 ZINC001125080721 776022230 /nfs/dbraw/zinc/02/22/30/776022230.db2.gz VQPIYCJSLZAGGH-UHFFFAOYSA-N 1 2 285.304 -1.660 20 0 CAADLO COCc1noc([C@@H](C)[NH2+]CCNC(=O)CC(N)=O)n1 ZINC001125084875 776024308 /nfs/dbraw/zinc/02/43/08/776024308.db2.gz MCZJYBFKGPMEJZ-SSDOTTSWSA-N 1 2 285.304 -1.142 20 0 CAADLO Cn1[nH]c(C[NH2+]CCNC(=O)Cc2ccon2)nc1=O ZINC001125104000 776026770 /nfs/dbraw/zinc/02/67/70/776026770.db2.gz QEFILUYRZJEXLY-UHFFFAOYSA-N 1 2 280.288 -1.455 20 0 CAADLO COCCC(=O)NCc1cn(C2C[NH+](CCO)C2)nn1 ZINC001107105192 776029196 /nfs/dbraw/zinc/02/91/96/776029196.db2.gz FBZGPJWVUOCPKR-UHFFFAOYSA-N 1 2 283.332 -1.220 20 0 CAADLO C[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]Cc2n[nH]c(=O)[n-]2)C1 ZINC001125219772 776031155 /nfs/dbraw/zinc/03/11/55/776031155.db2.gz BKMDFXDYEYGJKQ-QMMMGPOBSA-N 1 2 284.320 -1.953 20 0 CAADLO C[N@H+]1CCO[C@H](C(=O)NCC[NH2+]Cc2n[nH]c(=O)[n-]2)C1 ZINC001125219772 776031162 /nfs/dbraw/zinc/03/11/62/776031162.db2.gz BKMDFXDYEYGJKQ-QMMMGPOBSA-N 1 2 284.320 -1.953 20 0 CAADLO NC(=O)C(=O)NC1(CNC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001299254163 776033146 /nfs/dbraw/zinc/03/31/46/776033146.db2.gz FENVOYPGEBSSKB-UHFFFAOYSA-N 1 2 265.273 -1.798 20 0 CAADLO COC[C@H](O)C[NH+]1CC(n2cc(CNC(C)=O)nn2)C1 ZINC001107106526 776033159 /nfs/dbraw/zinc/03/31/59/776033159.db2.gz CVCLSAIVFRSYNX-GFCCVEGCSA-N 1 2 283.332 -1.222 20 0 CAADLO COC(=O)[C@H](Cc1c[nH+]cn1C)NC(=O)CNC(C)=O ZINC001142807665 776033565 /nfs/dbraw/zinc/03/35/65/776033565.db2.gz HPZAIYNYOKJNBW-JTQLQIEISA-N 1 2 282.300 -1.244 20 0 CAADLO O=C(N[C@@H]1C[N@H+](CCO)C[C@H]1O)[C@@H]1CCCc2n[nH]nc21 ZINC001077585045 776033776 /nfs/dbraw/zinc/03/37/76/776033776.db2.gz OPJMXGTYWCWRLS-FBIMIBRVSA-N 1 2 295.343 -1.622 20 0 CAADLO O=C(N[C@@H]1C[N@@H+](CCO)C[C@H]1O)[C@@H]1CCCc2n[nH]nc21 ZINC001077585045 776033787 /nfs/dbraw/zinc/03/37/87/776033787.db2.gz OPJMXGTYWCWRLS-FBIMIBRVSA-N 1 2 295.343 -1.622 20 0 CAADLO CNC(=O)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@]2(C)CCOC2)C1 ZINC001047576393 776034583 /nfs/dbraw/zinc/03/45/83/776034583.db2.gz IYSVJMLFCCOLDM-MJVIPROJSA-N 1 2 299.371 -1.338 20 0 CAADLO CNC(=O)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@]2(C)CCOC2)C1 ZINC001047576393 776034594 /nfs/dbraw/zinc/03/45/94/776034594.db2.gz IYSVJMLFCCOLDM-MJVIPROJSA-N 1 2 299.371 -1.338 20 0 CAADLO CC(C)[C@@H](O)C(=O)NCc1cn(C2C[NH+](CCO)C2)nn1 ZINC001107168237 776036358 /nfs/dbraw/zinc/03/63/58/776036358.db2.gz RNFSHBBOFRECOP-GFCCVEGCSA-N 1 2 297.359 -1.240 20 0 CAADLO COCC[NH+]1CC(n2cc(CNC(=O)CC(N)=O)nn2)C1 ZINC001107150321 776037021 /nfs/dbraw/zinc/03/70/21/776037021.db2.gz JCAOFMPTPQKVMZ-UHFFFAOYSA-N 1 2 296.331 -1.727 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCO2)C1 ZINC001047639016 776038001 /nfs/dbraw/zinc/03/80/01/776038001.db2.gz CTAIWBMPIVMCMQ-NOOOWODRSA-N 1 2 299.371 -1.197 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCO2)C1 ZINC001047639016 776038005 /nfs/dbraw/zinc/03/80/05/776038005.db2.gz CTAIWBMPIVMCMQ-NOOOWODRSA-N 1 2 299.371 -1.197 20 0 CAADLO NC(=O)NC(=O)C[NH2+]CCNC(=O)C(F)C(F)(F)F ZINC001127737620 776038913 /nfs/dbraw/zinc/03/89/13/776038913.db2.gz RMZKRJTZEXFJSJ-RXMQYKEDSA-N 1 2 288.201 -1.213 20 0 CAADLO NC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H](F)C(F)(F)F ZINC001127737620 776038937 /nfs/dbraw/zinc/03/89/37/776038937.db2.gz RMZKRJTZEXFJSJ-RXMQYKEDSA-N 1 2 288.201 -1.213 20 0 CAADLO NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1C[N@H+](CCF)C[C@@H]1O ZINC001083784191 776041977 /nfs/dbraw/zinc/04/19/77/776041977.db2.gz HNBSPJWOXYUABM-XAVMHZPKSA-N 1 2 259.281 -1.761 20 0 CAADLO NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCF)C[C@@H]1O ZINC001083784191 776041980 /nfs/dbraw/zinc/04/19/80/776041980.db2.gz HNBSPJWOXYUABM-XAVMHZPKSA-N 1 2 259.281 -1.761 20 0 CAADLO Cn1ncc2c1nc[nH+]c2NC/C=C/CNC(=O)C(N)=O ZINC001107480660 776043088 /nfs/dbraw/zinc/04/30/88/776043088.db2.gz PVICLAMWTSDPEB-NSCUHMNNSA-N 1 2 289.299 -1.067 20 0 CAADLO Cc1nsc(C)c1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(N)=O)C1 ZINC001077603798 776044503 /nfs/dbraw/zinc/04/45/03/776044503.db2.gz KFYURVCYPIAMRR-NXEZZACHSA-N 1 2 298.368 -1.093 20 0 CAADLO Cc1nsc(C)c1C[N@H+]1C[C@@H](O)[C@H](NC(=O)C(N)=O)C1 ZINC001077603798 776044509 /nfs/dbraw/zinc/04/45/09/776044509.db2.gz KFYURVCYPIAMRR-NXEZZACHSA-N 1 2 298.368 -1.093 20 0 CAADLO COc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C(N)=O)C2)cc1 ZINC001077603781 776044954 /nfs/dbraw/zinc/04/49/54/776044954.db2.gz JCFCZULZBGLLJA-VXGBXAGGSA-N 1 2 293.323 -1.158 20 0 CAADLO COc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)C(N)=O)C2)cc1 ZINC001077603781 776044962 /nfs/dbraw/zinc/04/49/62/776044962.db2.gz JCFCZULZBGLLJA-VXGBXAGGSA-N 1 2 293.323 -1.158 20 0 CAADLO Cc1nc(C)c(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C(N)=O)C2)s1 ZINC001077604029 776045417 /nfs/dbraw/zinc/04/54/17/776045417.db2.gz WXMMCBFNQUEKSE-RKDXNWHRSA-N 1 2 298.368 -1.093 20 0 CAADLO Cc1nc(C)c(C[N@H+]2C[C@@H](O)[C@H](NC(=O)C(N)=O)C2)s1 ZINC001077604029 776045422 /nfs/dbraw/zinc/04/54/22/776045422.db2.gz WXMMCBFNQUEKSE-RKDXNWHRSA-N 1 2 298.368 -1.093 20 0 CAADLO CCc1onc(C)c1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(N)=O)C1 ZINC001077606730 776047234 /nfs/dbraw/zinc/04/72/34/776047234.db2.gz ANEBGVVNJMQSFH-NXEZZACHSA-N 1 2 296.327 -1.308 20 0 CAADLO CCc1onc(C)c1C[N@H+]1C[C@@H](O)[C@H](NC(=O)C(N)=O)C1 ZINC001077606730 776047239 /nfs/dbraw/zinc/04/72/39/776047239.db2.gz ANEBGVVNJMQSFH-NXEZZACHSA-N 1 2 296.327 -1.308 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cn(C)c(=O)[nH]2)C1 ZINC001077619596 776048120 /nfs/dbraw/zinc/04/81/20/776048120.db2.gz XOGRQAVXQMDXJE-LKEWCRSYSA-N 1 2 297.315 -2.226 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cn(C)c(=O)[nH]2)C1 ZINC001077619596 776048125 /nfs/dbraw/zinc/04/81/25/776048125.db2.gz XOGRQAVXQMDXJE-LKEWCRSYSA-N 1 2 297.315 -2.226 20 0 CAADLO NC(=O)C(=O)N[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@H]1O ZINC001077607179 776048362 /nfs/dbraw/zinc/04/83/62/776048362.db2.gz VZRNDDHWMNNOOS-RNFRBKRXSA-N 1 2 299.287 -3.815 20 0 CAADLO NC(=O)C(=O)N[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@H]1O ZINC001077607179 776048369 /nfs/dbraw/zinc/04/83/69/776048369.db2.gz VZRNDDHWMNNOOS-RNFRBKRXSA-N 1 2 299.287 -3.815 20 0 CAADLO NC(=O)C(=O)N[C@@H]1C[N@H+](CCO[C@@H]2CC2(F)F)C[C@H]1O ZINC001077607046 776048763 /nfs/dbraw/zinc/04/87/63/776048763.db2.gz PNBJBCYUSRZBBG-BWZBUEFSSA-N 1 2 293.270 -1.943 20 0 CAADLO NC(=O)C(=O)N[C@@H]1C[N@@H+](CCO[C@@H]2CC2(F)F)C[C@H]1O ZINC001077607046 776048770 /nfs/dbraw/zinc/04/87/70/776048770.db2.gz PNBJBCYUSRZBBG-BWZBUEFSSA-N 1 2 293.270 -1.943 20 0 CAADLO NC(=O)C(=O)N[C@@H]1C[N@H+](CCO[C@H]2CC2(F)F)C[C@H]1O ZINC001077607047 776048900 /nfs/dbraw/zinc/04/89/00/776048900.db2.gz PNBJBCYUSRZBBG-PRJMDXOYSA-N 1 2 293.270 -1.943 20 0 CAADLO NC(=O)C(=O)N[C@@H]1C[N@@H+](CCO[C@H]2CC2(F)F)C[C@H]1O ZINC001077607047 776048904 /nfs/dbraw/zinc/04/89/04/776048904.db2.gz PNBJBCYUSRZBBG-PRJMDXOYSA-N 1 2 293.270 -1.943 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC2=CCOCC2)C1 ZINC001077627331 776049872 /nfs/dbraw/zinc/04/98/72/776049872.db2.gz LRRYSRWOGRCTPY-YUSALJHKSA-N 1 2 297.355 -1.242 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)CC2=CCOCC2)C1 ZINC001077627331 776049895 /nfs/dbraw/zinc/04/98/95/776049895.db2.gz LRRYSRWOGRCTPY-YUSALJHKSA-N 1 2 297.355 -1.242 20 0 CAADLO CO[C@@H](C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2=NC(=O)N(C)C2)C1 ZINC001077625017 776050108 /nfs/dbraw/zinc/05/01/08/776050108.db2.gz NBONZLOMZFMUHC-IQJOONFLSA-N 1 2 298.343 -1.065 20 0 CAADLO CO[C@@H](C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C2=NC(=O)N(C)C2)C1 ZINC001077625017 776050113 /nfs/dbraw/zinc/05/01/13/776050113.db2.gz NBONZLOMZFMUHC-IQJOONFLSA-N 1 2 298.343 -1.065 20 0 CAADLO C[C@@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2=NC(=O)N(C)C2)C1 ZINC001077625212 776050598 /nfs/dbraw/zinc/05/05/98/776050598.db2.gz VUOIFKDWXLEUFC-NQMVMOMDSA-N 1 2 284.316 -1.719 20 0 CAADLO C[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C2=NC(=O)N(C)C2)C1 ZINC001077625212 776050600 /nfs/dbraw/zinc/05/06/00/776050600.db2.gz VUOIFKDWXLEUFC-NQMVMOMDSA-N 1 2 284.316 -1.719 20 0 CAADLO Cn1cc(C(=O)N[C@@H]2C[N@H+](CCF)C[C@H]2O)[nH]c1=O ZINC001077624773 776050743 /nfs/dbraw/zinc/05/07/43/776050743.db2.gz ASOBFKKJDOSYKK-VXNVDRBHSA-N 1 2 272.280 -1.130 20 0 CAADLO Cn1cc(C(=O)N[C@@H]2C[N@@H+](CCF)C[C@H]2O)[nH]c1=O ZINC001077624773 776050747 /nfs/dbraw/zinc/05/07/47/776050747.db2.gz ASOBFKKJDOSYKK-VXNVDRBHSA-N 1 2 272.280 -1.130 20 0 CAADLO CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1C[N@H+](CCF)C[C@H]1O ZINC001077682955 776059043 /nfs/dbraw/zinc/05/90/43/776059043.db2.gz SQDJNXCFVMDWAQ-LNFKQOIKSA-N 1 2 287.335 -1.159 20 0 CAADLO CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCF)C[C@H]1O ZINC001077682955 776059045 /nfs/dbraw/zinc/05/90/45/776059045.db2.gz SQDJNXCFVMDWAQ-LNFKQOIKSA-N 1 2 287.335 -1.159 20 0 CAADLO NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1C[N@H+](CCF)C[C@H]1O ZINC001077686312 776059050 /nfs/dbraw/zinc/05/90/50/776059050.db2.gz HNBSPJWOXYUABM-BZNPZCIMSA-N 1 2 259.281 -1.761 20 0 CAADLO NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCF)C[C@H]1O ZINC001077686312 776059052 /nfs/dbraw/zinc/05/90/52/776059052.db2.gz HNBSPJWOXYUABM-BZNPZCIMSA-N 1 2 259.281 -1.761 20 0 CAADLO Cc1ccn(CC(=O)N[C@@H]2C[N@H+]([C@H](C)C(N)=O)C[C@H]2O)n1 ZINC001077693548 776060598 /nfs/dbraw/zinc/06/05/98/776060598.db2.gz XPGCZOUTVREUNH-GMTAPVOTSA-N 1 2 295.343 -1.773 20 0 CAADLO Cc1ccn(CC(=O)N[C@@H]2C[N@@H+]([C@H](C)C(N)=O)C[C@H]2O)n1 ZINC001077693548 776060605 /nfs/dbraw/zinc/06/06/05/776060605.db2.gz XPGCZOUTVREUNH-GMTAPVOTSA-N 1 2 295.343 -1.773 20 0 CAADLO C[C@@]1(CNC(=O)c2nccnc2N)C[N@H+](CCO)CCO1 ZINC001107827097 776062981 /nfs/dbraw/zinc/06/29/81/776062981.db2.gz HTIHMUYREGLJKJ-CYBMUJFWSA-N 1 2 295.343 -1.128 20 0 CAADLO C[C@@]1(CNC(=O)c2nccnc2N)C[N@@H+](CCO)CCO1 ZINC001107827097 776062989 /nfs/dbraw/zinc/06/29/89/776062989.db2.gz HTIHMUYREGLJKJ-CYBMUJFWSA-N 1 2 295.343 -1.128 20 0 CAADLO Cc1c(C(=O)NC[C@@]2(C)C[N@H+](CCO)CCO2)nnn1C ZINC001107837901 776063774 /nfs/dbraw/zinc/06/37/74/776063774.db2.gz PDMXVDZBDOYRQB-ZDUSSCGKSA-N 1 2 297.359 -1.063 20 0 CAADLO Cc1c(C(=O)NC[C@@]2(C)C[N@@H+](CCO)CCO2)nnn1C ZINC001107837901 776063777 /nfs/dbraw/zinc/06/37/77/776063777.db2.gz PDMXVDZBDOYRQB-ZDUSSCGKSA-N 1 2 297.359 -1.063 20 0 CAADLO O=C(NC[C@@H]1CC[N@@H+]1[C@H]1CCNC1=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001038608241 776063854 /nfs/dbraw/zinc/06/38/54/776063854.db2.gz PXLIWKHPBBZUPC-HHHUOAJASA-N 1 2 279.340 -1.042 20 0 CAADLO O=C(NC[C@@H]1CC[N@H+]1[C@H]1CCNC1=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001038608241 776063859 /nfs/dbraw/zinc/06/38/59/776063859.db2.gz PXLIWKHPBBZUPC-HHHUOAJASA-N 1 2 279.340 -1.042 20 0 CAADLO CC[C@@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccnnc2)C1 ZINC001077730147 776063992 /nfs/dbraw/zinc/06/39/92/776063992.db2.gz OZZVUIMLEMQJAN-OUAUKWLOSA-N 1 2 293.327 -1.485 20 0 CAADLO CC[C@@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccnnc2)C1 ZINC001077730147 776063999 /nfs/dbraw/zinc/06/39/99/776063999.db2.gz OZZVUIMLEMQJAN-OUAUKWLOSA-N 1 2 293.327 -1.485 20 0 CAADLO O=C(NC[C@@H]1CC[N@@H+]1[C@@H]1CCNC1=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001038608244 776064217 /nfs/dbraw/zinc/06/42/17/776064217.db2.gz PXLIWKHPBBZUPC-PREPNJAASA-N 1 2 279.340 -1.042 20 0 CAADLO O=C(NC[C@@H]1CC[N@H+]1[C@@H]1CCNC1=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001038608244 776064225 /nfs/dbraw/zinc/06/42/25/776064225.db2.gz PXLIWKHPBBZUPC-PREPNJAASA-N 1 2 279.340 -1.042 20 0 CAADLO C[C@@]1(CNC(=O)CCc2nnc[nH]2)C[N@H+](CCO)CCO1 ZINC001107854209 776065095 /nfs/dbraw/zinc/06/50/95/776065095.db2.gz CDQNMMSLMREMJB-CYBMUJFWSA-N 1 2 297.359 -1.063 20 0 CAADLO C[C@@]1(CNC(=O)CCc2nnc[nH]2)C[N@@H+](CCO)CCO1 ZINC001107854209 776065101 /nfs/dbraw/zinc/06/51/01/776065101.db2.gz CDQNMMSLMREMJB-CYBMUJFWSA-N 1 2 297.359 -1.063 20 0 CAADLO O=C(Cc1cnc[nH]1)N[C@@H]1C[N@H+](CCCO)C[C@H]1O ZINC001077744667 776065925 /nfs/dbraw/zinc/06/59/25/776065925.db2.gz BQACOAOGHLDUTB-GHMZBOCLSA-N 1 2 268.317 -1.504 20 0 CAADLO O=C(Cc1cnc[nH]1)N[C@@H]1C[N@@H+](CCCO)C[C@H]1O ZINC001077744667 776065928 /nfs/dbraw/zinc/06/59/28/776065928.db2.gz BQACOAOGHLDUTB-GHMZBOCLSA-N 1 2 268.317 -1.504 20 0 CAADLO CNC(=O)C[NH2+]Cc1nnc2n1CC[C@@H](NC(C)=O)CC2 ZINC001127910303 776068006 /nfs/dbraw/zinc/06/80/06/776068006.db2.gz NAVXMGGXKRGZPP-JTQLQIEISA-N 1 2 294.359 -1.045 20 0 CAADLO Cn1cc(C(=O)NC[C@]2(C)C[N@H+](CCO)CCO2)nn1 ZINC001107918453 776069586 /nfs/dbraw/zinc/06/95/86/776069586.db2.gz OAOGEXVWBSTZKR-GFCCVEGCSA-N 1 2 283.332 -1.372 20 0 CAADLO Cn1cc(C(=O)NC[C@]2(C)C[N@@H+](CCO)CCO2)nn1 ZINC001107918453 776069595 /nfs/dbraw/zinc/06/95/95/776069595.db2.gz OAOGEXVWBSTZKR-GFCCVEGCSA-N 1 2 283.332 -1.372 20 0 CAADLO CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2CCS(=O)(=O)CC2)C1 ZINC001077772185 776070058 /nfs/dbraw/zinc/07/00/58/776070058.db2.gz PUZDJDJRCAHJKA-GHMZBOCLSA-N 1 2 290.385 -1.008 20 0 CAADLO CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C2CCS(=O)(=O)CC2)C1 ZINC001077772185 776070064 /nfs/dbraw/zinc/07/00/64/776070064.db2.gz PUZDJDJRCAHJKA-GHMZBOCLSA-N 1 2 290.385 -1.008 20 0 CAADLO Cn1cnc(C(=O)NC[C@@]2(C)C[N@H+](CCO)CCO2)n1 ZINC001107919555 776070365 /nfs/dbraw/zinc/07/03/65/776070365.db2.gz AGVAQJHDSOSAIF-LBPRGKRZSA-N 1 2 283.332 -1.372 20 0 CAADLO Cn1cnc(C(=O)NC[C@@]2(C)C[N@@H+](CCO)CCO2)n1 ZINC001107919555 776070369 /nfs/dbraw/zinc/07/03/69/776070369.db2.gz AGVAQJHDSOSAIF-LBPRGKRZSA-N 1 2 283.332 -1.372 20 0 CAADLO COCC(=O)N[C@@H](C)C(=O)NCC[NH2+]Cc1ncccn1 ZINC001127967834 776075602 /nfs/dbraw/zinc/07/56/02/776075602.db2.gz QVZTZCISTVBLEN-JTQLQIEISA-N 1 2 295.343 -1.167 20 0 CAADLO COCC(=O)N[C@H](C)C(=O)NCC[NH2+]Cc1nc(C)no1 ZINC001127967227 776075719 /nfs/dbraw/zinc/07/57/19/776075719.db2.gz KOFXBYSAXMFHND-MRVPVSSYSA-N 1 2 299.331 -1.265 20 0 CAADLO CCC(=O)N[C@H](C)C(=O)NCC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001127984753 776077538 /nfs/dbraw/zinc/07/75/38/776077538.db2.gz IXJPBWKSQWKQRF-MRVPVSSYSA-N 1 2 298.347 -1.771 20 0 CAADLO C[C@@H](CCNC(=O)CCc1c[nH+]cn1C)NC(=O)C(N)=O ZINC001077813379 776079054 /nfs/dbraw/zinc/07/90/54/776079054.db2.gz KJSGGFSWIOZYRX-VIFPVBQESA-N 1 2 295.343 -1.151 20 0 CAADLO CNC(=O)NCC(=O)N[C@@H]1C[N@H+](CCF)C[C@H]1OC ZINC001212373571 776079178 /nfs/dbraw/zinc/07/91/78/776079178.db2.gz UUYLKTOHOZJAEI-RKDXNWHRSA-N 1 2 276.312 -1.300 20 0 CAADLO CNC(=O)NCC(=O)N[C@@H]1C[N@@H+](CCF)C[C@H]1OC ZINC001212373571 776079181 /nfs/dbraw/zinc/07/91/81/776079181.db2.gz UUYLKTOHOZJAEI-RKDXNWHRSA-N 1 2 276.312 -1.300 20 0 CAADLO NC(=O)C(=O)N[C@@H]1CCc2nnc(C[NH2+]CCF)n2CC1 ZINC001128033256 776084864 /nfs/dbraw/zinc/08/48/64/776084864.db2.gz USCVHHXGRCWNAN-MRVPVSSYSA-N 1 2 298.322 -1.356 20 0 CAADLO CCNC(=O)NC(=O)C[N@@H+]1CC[C@@H](NC(C)=O)[C@H](O)C1 ZINC001099610715 776085542 /nfs/dbraw/zinc/08/55/42/776085542.db2.gz KXJYWMOEDKUCSI-NXEZZACHSA-N 1 2 286.332 -1.597 20 0 CAADLO CCNC(=O)NC(=O)C[N@H+]1CC[C@@H](NC(C)=O)[C@H](O)C1 ZINC001099610715 776085551 /nfs/dbraw/zinc/08/55/51/776085551.db2.gz KXJYWMOEDKUCSI-NXEZZACHSA-N 1 2 286.332 -1.597 20 0 CAADLO COCC(=O)N[C@H]1CC[N@H+](CC(=O)NC(N)=O)C[C@H]1O ZINC001099613804 776087433 /nfs/dbraw/zinc/08/74/33/776087433.db2.gz NGEFCYRUEPRBGY-JGVFFNPUSA-N 1 2 288.304 -2.621 20 0 CAADLO COCC(=O)N[C@H]1CC[N@@H+](CC(=O)NC(N)=O)C[C@H]1O ZINC001099613804 776087437 /nfs/dbraw/zinc/08/74/37/776087437.db2.gz NGEFCYRUEPRBGY-JGVFFNPUSA-N 1 2 288.304 -2.621 20 0 CAADLO COCC(=O)N[C@H]1CC[N@H+](CC(=O)NC2CC2)C[C@H]1O ZINC001099617943 776090452 /nfs/dbraw/zinc/09/04/52/776090452.db2.gz MOROEOYGDRRJHH-WDEREUQCSA-N 1 2 285.344 -1.537 20 0 CAADLO COCC(=O)N[C@H]1CC[N@@H+](CC(=O)NC2CC2)C[C@H]1O ZINC001099617943 776090457 /nfs/dbraw/zinc/09/04/57/776090457.db2.gz MOROEOYGDRRJHH-WDEREUQCSA-N 1 2 285.344 -1.537 20 0 CAADLO COCC(=O)N[C@H]1CC[N@H+](CC(=O)NCC2CC2)C[C@H]1O ZINC001099616419 776090534 /nfs/dbraw/zinc/09/05/34/776090534.db2.gz DHMSPBSBRWNFSG-NWDGAFQWSA-N 1 2 299.371 -1.290 20 0 CAADLO COCC(=O)N[C@H]1CC[N@@H+](CC(=O)NCC2CC2)C[C@H]1O ZINC001099616419 776090539 /nfs/dbraw/zinc/09/05/39/776090539.db2.gz DHMSPBSBRWNFSG-NWDGAFQWSA-N 1 2 299.371 -1.290 20 0 CAADLO CO[C@H](C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ncn[nH]2)C1 ZINC001077861431 776092624 /nfs/dbraw/zinc/09/26/24/776092624.db2.gz GTTHGJXSVIHMRU-IWSPIJDZSA-N 1 2 269.305 -1.386 20 0 CAADLO CO[C@H](C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2nc[nH]n2)C1 ZINC001077861431 776092632 /nfs/dbraw/zinc/09/26/32/776092632.db2.gz GTTHGJXSVIHMRU-IWSPIJDZSA-N 1 2 269.305 -1.386 20 0 CAADLO CO[C@H](C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2nc[nH]n2)C1 ZINC001077861431 776092637 /nfs/dbraw/zinc/09/26/37/776092637.db2.gz GTTHGJXSVIHMRU-IWSPIJDZSA-N 1 2 269.305 -1.386 20 0 CAADLO O=C(N[C@@H]1C[N@@H+](CCCF)C[C@H]1O)c1ncn[nH]1 ZINC001077863578 776092999 /nfs/dbraw/zinc/09/29/99/776092999.db2.gz GZRGJNZMVOYHMS-HTQZYQBOSA-N 1 2 257.269 -1.061 20 0 CAADLO O=C(N[C@@H]1C[N@@H+](CCCF)C[C@H]1O)c1nc[nH]n1 ZINC001077863578 776093019 /nfs/dbraw/zinc/09/30/19/776093019.db2.gz GZRGJNZMVOYHMS-HTQZYQBOSA-N 1 2 257.269 -1.061 20 0 CAADLO O=C(N[C@@H]1C[N@H+](CCCF)C[C@H]1O)c1nc[nH]n1 ZINC001077863578 776093028 /nfs/dbraw/zinc/09/30/28/776093028.db2.gz GZRGJNZMVOYHMS-HTQZYQBOSA-N 1 2 257.269 -1.061 20 0 CAADLO O=C(N[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1O)c1nnc[nH]1 ZINC001077861578 776093156 /nfs/dbraw/zinc/09/31/56/776093156.db2.gz MYNYYAOJMASAKL-RKDXNWHRSA-N 1 2 292.303 -2.129 20 0 CAADLO O=C(N[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1O)c1nnc[nH]1 ZINC001077861578 776093162 /nfs/dbraw/zinc/09/31/62/776093162.db2.gz MYNYYAOJMASAKL-RKDXNWHRSA-N 1 2 292.303 -2.129 20 0 CAADLO O=C(N[C@@H]1C[N@@H+](CC2CC2)C[C@H]1O)c1nc[nH]n1 ZINC001077863555 776094269 /nfs/dbraw/zinc/09/42/69/776094269.db2.gz FXPDCFZKSCTRHW-RKDXNWHRSA-N 1 2 251.290 -1.010 20 0 CAADLO O=C(N[C@@H]1C[N@H+](CC2CC2)C[C@H]1O)c1nc[nH]n1 ZINC001077863555 776094274 /nfs/dbraw/zinc/09/42/74/776094274.db2.gz FXPDCFZKSCTRHW-RKDXNWHRSA-N 1 2 251.290 -1.010 20 0 CAADLO CC[C@@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccncn2)C1 ZINC001077866049 776095887 /nfs/dbraw/zinc/09/58/87/776095887.db2.gz SXEVMCFVNOSFLY-OUAUKWLOSA-N 1 2 293.327 -1.485 20 0 CAADLO CC[C@@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccncn2)C1 ZINC001077866049 776095890 /nfs/dbraw/zinc/09/58/90/776095890.db2.gz SXEVMCFVNOSFLY-OUAUKWLOSA-N 1 2 293.327 -1.485 20 0 CAADLO CC[C@@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cccnn2)C1 ZINC001077881375 776095915 /nfs/dbraw/zinc/09/59/15/776095915.db2.gz SVWWCLJTHPWATH-OUAUKWLOSA-N 1 2 293.327 -1.485 20 0 CAADLO CC[C@@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cccnn2)C1 ZINC001077881375 776095918 /nfs/dbraw/zinc/09/59/18/776095918.db2.gz SVWWCLJTHPWATH-OUAUKWLOSA-N 1 2 293.327 -1.485 20 0 CAADLO O=C(CN1CC(=O)NC1=O)N[C@@H]1C[N@@H+](CCF)C[C@H]1O ZINC001077853137 776096117 /nfs/dbraw/zinc/09/61/17/776096117.db2.gz MZKQVWLRZMLCEF-HTQZYQBOSA-N 1 2 288.279 -2.331 20 0 CAADLO O=C(CN1CC(=O)NC1=O)N[C@@H]1C[N@H+](CCF)C[C@H]1O ZINC001077853137 776096121 /nfs/dbraw/zinc/09/61/21/776096121.db2.gz MZKQVWLRZMLCEF-HTQZYQBOSA-N 1 2 288.279 -2.331 20 0 CAADLO Cn1c[nH+]cc1CN1C[C@@H](O)[C@H](NC(=O)c2cnon2)C1 ZINC001077872585 776097115 /nfs/dbraw/zinc/09/71/15/776097115.db2.gz ZPMBTZMCUAYCQD-GHMZBOCLSA-N 1 2 292.299 -1.222 20 0 CAADLO O=C(Cc1[nH]cc[nH+]1)N[C@@H]1CN(Cc2cnon2)C[C@H]1O ZINC001077897454 776099192 /nfs/dbraw/zinc/09/91/92/776099192.db2.gz ZSMVJRXKNBZPNE-NXEZZACHSA-N 1 2 292.299 -1.303 20 0 CAADLO CN(C)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@]2(C)CCOC2)C1 ZINC001077898645 776099437 /nfs/dbraw/zinc/09/94/37/776099437.db2.gz XTVMRQOYMOGMRC-JTNHKYCSSA-N 1 2 299.371 -1.338 20 0 CAADLO CN(C)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@]2(C)CCOC2)C1 ZINC001077898645 776099443 /nfs/dbraw/zinc/09/94/43/776099443.db2.gz XTVMRQOYMOGMRC-JTNHKYCSSA-N 1 2 299.371 -1.338 20 0 CAADLO COCCC(=O)N[C@H]1CC[N@H+](CC(=O)NC2CC2)C[C@H]1O ZINC001099619858 776100424 /nfs/dbraw/zinc/10/04/24/776100424.db2.gz FTIKCZYVGFULLA-NWDGAFQWSA-N 1 2 299.371 -1.147 20 0 CAADLO COCCC(=O)N[C@H]1CC[N@@H+](CC(=O)NC2CC2)C[C@H]1O ZINC001099619858 776100429 /nfs/dbraw/zinc/10/04/29/776100429.db2.gz FTIKCZYVGFULLA-NWDGAFQWSA-N 1 2 299.371 -1.147 20 0 CAADLO COCCC(=O)N[C@@H]1CC[N@H+](CC(N)=O)C[C@@H]1O ZINC001099621317 776103337 /nfs/dbraw/zinc/10/33/37/776103337.db2.gz UTZNRNLMBJSOKW-BDAKNGLRSA-N 1 2 259.306 -1.940 20 0 CAADLO COCCC(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C[C@@H]1O ZINC001099621317 776103340 /nfs/dbraw/zinc/10/33/40/776103340.db2.gz UTZNRNLMBJSOKW-BDAKNGLRSA-N 1 2 259.306 -1.940 20 0 CAADLO Cn1nnnc1C[NH2+]CCNC(=O)C1CS(=O)(=O)C1 ZINC001128108012 776103429 /nfs/dbraw/zinc/10/34/29/776103429.db2.gz GERASPZJGOCDHL-UHFFFAOYSA-N 1 2 288.333 -2.540 20 0 CAADLO C[C@H](O)C[N@@H+]1CCOC[C@H]1CNC(=O)CC(N)=O ZINC001272843534 776104071 /nfs/dbraw/zinc/10/40/71/776104071.db2.gz SPWDOHTXDOTKQZ-DTWKUNHWSA-N 1 2 259.306 -1.940 20 0 CAADLO C[C@H](O)C[N@H+]1CCOC[C@H]1CNC(=O)CC(N)=O ZINC001272843534 776104078 /nfs/dbraw/zinc/10/40/78/776104078.db2.gz SPWDOHTXDOTKQZ-DTWKUNHWSA-N 1 2 259.306 -1.940 20 0 CAADLO C[C@H](O)C[N@@H+]1CCOC[C@@H]1CNC(=O)CC(N)=O ZINC001272843535 776104228 /nfs/dbraw/zinc/10/42/28/776104228.db2.gz SPWDOHTXDOTKQZ-IUCAKERBSA-N 1 2 259.306 -1.940 20 0 CAADLO C[C@H](O)C[N@H+]1CCOC[C@@H]1CNC(=O)CC(N)=O ZINC001272843535 776104235 /nfs/dbraw/zinc/10/42/35/776104235.db2.gz SPWDOHTXDOTKQZ-IUCAKERBSA-N 1 2 259.306 -1.940 20 0 CAADLO Cc1nnc(C[NH2+]CCNC(=O)C2CS(=O)(=O)C2)o1 ZINC001128108890 776105513 /nfs/dbraw/zinc/10/55/13/776105513.db2.gz YFJFTFRGZKYUNJ-UHFFFAOYSA-N 1 2 288.329 -1.372 20 0 CAADLO CC[N@@H+]1CCOC[C@@H]1CNC(=O)C[C@@H]1NC(=O)NC1=O ZINC001272868517 776106232 /nfs/dbraw/zinc/10/62/32/776106232.db2.gz FRKFDRPDBFOIPE-IUCAKERBSA-N 1 2 284.316 -1.579 20 0 CAADLO CC[N@H+]1CCOC[C@@H]1CNC(=O)C[C@@H]1NC(=O)NC1=O ZINC001272868517 776106239 /nfs/dbraw/zinc/10/62/39/776106239.db2.gz FRKFDRPDBFOIPE-IUCAKERBSA-N 1 2 284.316 -1.579 20 0 CAADLO NC(=O)C[N@@H+]1C[C@H](NC(=O)C(N)=O)CC2(CCOCC2)C1 ZINC001089957820 776107129 /nfs/dbraw/zinc/10/71/29/776107129.db2.gz XBIYDDKURUZZFP-SECBINFHSA-N 1 2 298.343 -2.056 20 0 CAADLO NC(=O)C[N@H+]1C[C@H](NC(=O)C(N)=O)CC2(CCOCC2)C1 ZINC001089957820 776107133 /nfs/dbraw/zinc/10/71/33/776107133.db2.gz XBIYDDKURUZZFP-SECBINFHSA-N 1 2 298.343 -2.056 20 0 CAADLO O=C(Cc1nnc[nH]1)N[C@@H]1C[N@H+](CCO)C[C@H]1O ZINC001077976580 776107438 /nfs/dbraw/zinc/10/74/38/776107438.db2.gz LGRLDHWVNVODEO-HTQZYQBOSA-N 1 2 255.278 -2.499 20 0 CAADLO O=C(Cc1nnc[nH]1)N[C@@H]1C[N@@H+](CCO)C[C@H]1O ZINC001077976580 776107440 /nfs/dbraw/zinc/10/74/40/776107440.db2.gz LGRLDHWVNVODEO-HTQZYQBOSA-N 1 2 255.278 -2.499 20 0 CAADLO COCCC[N@@H+]1CCOC[C@H]1CNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001272884758 776107693 /nfs/dbraw/zinc/10/76/93/776107693.db2.gz DMKKEGWZNASBAO-UTUOFQBUSA-N 1 2 299.371 -1.039 20 0 CAADLO COCCC[N@H+]1CCOC[C@H]1CNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001272884758 776107696 /nfs/dbraw/zinc/10/76/96/776107696.db2.gz DMKKEGWZNASBAO-UTUOFQBUSA-N 1 2 299.371 -1.039 20 0 CAADLO COCCC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001272884757 776108412 /nfs/dbraw/zinc/10/84/12/776108412.db2.gz DMKKEGWZNASBAO-TUAOUCFPSA-N 1 2 299.371 -1.039 20 0 CAADLO COCCC[N@H+]1CCOC[C@@H]1CNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001272884757 776108417 /nfs/dbraw/zinc/10/84/17/776108417.db2.gz DMKKEGWZNASBAO-TUAOUCFPSA-N 1 2 299.371 -1.039 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2nc[nH]n2)C1 ZINC001077976736 776109275 /nfs/dbraw/zinc/10/92/75/776109275.db2.gz SSUKYWFDCUYRIV-DJLDLDEBSA-N 1 2 296.331 -2.357 20 0 CAADLO CNC(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2nc[nH]n2)C1 ZINC001077976736 776109279 /nfs/dbraw/zinc/10/92/79/776109279.db2.gz SSUKYWFDCUYRIV-DJLDLDEBSA-N 1 2 296.331 -2.357 20 0 CAADLO Cn1c[nH+]cc1CC(=O)N[C@@H]1CN(CC(N)=O)C[C@H]1O ZINC001078008295 776111708 /nfs/dbraw/zinc/11/17/08/776111708.db2.gz BMXUYSSRTJJAAX-NXEZZACHSA-N 1 2 281.316 -2.391 20 0 CAADLO CC(C)(C)C(=O)N[C@@H]1C[N@@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1O ZINC001078053232 776116329 /nfs/dbraw/zinc/11/63/29/776116329.db2.gz AFAUNAGCKNYIFJ-KXUCPTDWSA-N 1 2 297.355 -1.001 20 0 CAADLO CC(C)(C)C(=O)N[C@@H]1C[N@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1O ZINC001078053232 776116336 /nfs/dbraw/zinc/11/63/36/776116336.db2.gz AFAUNAGCKNYIFJ-KXUCPTDWSA-N 1 2 297.355 -1.001 20 0 CAADLO CCCC(=O)N[C@H]1CC[N@H+](CC(=O)NC(N)=O)C[C@H]1O ZINC001099628280 776116911 /nfs/dbraw/zinc/11/69/11/776116911.db2.gz ZEPZKCVYEYBLDB-DTWKUNHWSA-N 1 2 286.332 -1.467 20 0 CAADLO CCCC(=O)N[C@H]1CC[N@@H+](CC(=O)NC(N)=O)C[C@H]1O ZINC001099628280 776116916 /nfs/dbraw/zinc/11/69/16/776116916.db2.gz ZEPZKCVYEYBLDB-DTWKUNHWSA-N 1 2 286.332 -1.467 20 0 CAADLO CNC(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(=O)[nH]c2)C1 ZINC001078118773 776122144 /nfs/dbraw/zinc/12/21/44/776122144.db2.gz JHIKXSVUBMXANY-NXEZZACHSA-N 1 2 294.311 -1.692 20 0 CAADLO CNC(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(=O)[nH]c2)C1 ZINC001078118773 776122148 /nfs/dbraw/zinc/12/21/48/776122148.db2.gz JHIKXSVUBMXANY-NXEZZACHSA-N 1 2 294.311 -1.692 20 0 CAADLO C[C@@H](CCNC(=O)C(N)=O)NC(=O)CCn1cc[nH+]c1 ZINC001078121791 776125780 /nfs/dbraw/zinc/12/57/80/776125780.db2.gz WQVKLIFEYYOQRL-VIFPVBQESA-N 1 2 281.316 -1.231 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cncn2)C1 ZINC001078141210 776126264 /nfs/dbraw/zinc/12/62/64/776126264.db2.gz RRJRQXCWNOEMKY-DJLDLDEBSA-N 1 2 282.304 -2.687 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cncn2)C1 ZINC001078141210 776126269 /nfs/dbraw/zinc/12/62/69/776126269.db2.gz RRJRQXCWNOEMKY-DJLDLDEBSA-N 1 2 282.304 -2.687 20 0 CAADLO COCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CN2CCCC2)C1 ZINC001078179199 776127320 /nfs/dbraw/zinc/12/73/20/776127320.db2.gz YUIKAXKKYKQQBN-VXGBXAGGSA-N 1 2 271.361 -1.110 20 0 CAADLO COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CN2CCCC2)C1 ZINC001078179199 776127329 /nfs/dbraw/zinc/12/73/29/776127329.db2.gz YUIKAXKKYKQQBN-VXGBXAGGSA-N 1 2 271.361 -1.110 20 0 CAADLO COCCN1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001078179199 776127336 /nfs/dbraw/zinc/12/73/36/776127336.db2.gz YUIKAXKKYKQQBN-VXGBXAGGSA-N 1 2 271.361 -1.110 20 0 CAADLO O=C(CN1CCCC1)N[C@@H]1C[N@H+](CCO)C[C@H]1O ZINC001078180015 776128077 /nfs/dbraw/zinc/12/80/77/776128077.db2.gz JBSZBSUOWBONSY-GHMZBOCLSA-N 1 2 257.334 -1.764 20 0 CAADLO O=C(CN1CCCC1)N[C@@H]1C[N@@H+](CCO)C[C@H]1O ZINC001078180015 776128081 /nfs/dbraw/zinc/12/80/81/776128081.db2.gz JBSZBSUOWBONSY-GHMZBOCLSA-N 1 2 257.334 -1.764 20 0 CAADLO CC[C@@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccn(C)n2)C1 ZINC001078171208 776129721 /nfs/dbraw/zinc/12/97/21/776129721.db2.gz WVVYESXMGGKKBJ-OUAUKWLOSA-N 1 2 295.343 -1.541 20 0 CAADLO CC[C@@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccn(C)n2)C1 ZINC001078171208 776129727 /nfs/dbraw/zinc/12/97/27/776129727.db2.gz WVVYESXMGGKKBJ-OUAUKWLOSA-N 1 2 295.343 -1.541 20 0 CAADLO CC[C@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccn(C)n2)C1 ZINC001078171207 776130464 /nfs/dbraw/zinc/13/04/64/776130464.db2.gz WVVYESXMGGKKBJ-GMTAPVOTSA-N 1 2 295.343 -1.541 20 0 CAADLO CC[C@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccn(C)n2)C1 ZINC001078171207 776130469 /nfs/dbraw/zinc/13/04/69/776130469.db2.gz WVVYESXMGGKKBJ-GMTAPVOTSA-N 1 2 295.343 -1.541 20 0 CAADLO O=C(Cc1ccc[nH]1)N[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@H]1O ZINC001078207758 776131953 /nfs/dbraw/zinc/13/19/53/776131953.db2.gz AGHWQZBRZIHIHG-GRYCIOLGSA-N 1 2 292.339 -1.393 20 0 CAADLO O=C(Cc1ccc[nH]1)N[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@H]1O ZINC001078207758 776131956 /nfs/dbraw/zinc/13/19/56/776131956.db2.gz AGHWQZBRZIHIHG-GRYCIOLGSA-N 1 2 292.339 -1.393 20 0 CAADLO CN(C)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2ccc[nH]2)C1 ZINC001078208159 776132817 /nfs/dbraw/zinc/13/28/17/776132817.db2.gz IHBKZXGODSAEFV-VXGBXAGGSA-N 1 2 294.355 -1.193 20 0 CAADLO CN(C)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2ccc[nH]2)C1 ZINC001078208159 776132822 /nfs/dbraw/zinc/13/28/22/776132822.db2.gz IHBKZXGODSAEFV-VXGBXAGGSA-N 1 2 294.355 -1.193 20 0 CAADLO NC(=O)c1csc(C(=O)N[C@@H]2C[N@H+](CCO)C[C@H]2O)c1 ZINC001078236413 776135538 /nfs/dbraw/zinc/13/55/38/776135538.db2.gz IKCUYUYCEPLBBZ-RKDXNWHRSA-N 1 2 299.352 -1.386 20 0 CAADLO NC(=O)c1csc(C(=O)N[C@@H]2C[N@@H+](CCO)C[C@H]2O)c1 ZINC001078236413 776135541 /nfs/dbraw/zinc/13/55/41/776135541.db2.gz IKCUYUYCEPLBBZ-RKDXNWHRSA-N 1 2 299.352 -1.386 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2[nH]cnc2C)C1 ZINC001078288356 776137894 /nfs/dbraw/zinc/13/78/94/776137894.db2.gz XXTGXDADLTZBAO-OPRDCNLKSA-N 1 2 295.343 -1.372 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2[nH]cnc2C)C1 ZINC001078288356 776137906 /nfs/dbraw/zinc/13/79/06/776137906.db2.gz XXTGXDADLTZBAO-OPRDCNLKSA-N 1 2 295.343 -1.372 20 0 CAADLO CC[C@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2[nH]cnc2C)C1 ZINC001078287791 776138000 /nfs/dbraw/zinc/13/80/00/776138000.db2.gz AUEGELVDTSDGEL-OPRDCNLKSA-N 1 2 295.343 -1.243 20 0 CAADLO CC[C@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2[nH]cnc2C)C1 ZINC001078287791 776138006 /nfs/dbraw/zinc/13/80/06/776138006.db2.gz AUEGELVDTSDGEL-OPRDCNLKSA-N 1 2 295.343 -1.243 20 0 CAADLO NC(=O)C(=O)N1CCCO[C@H](C[NH2+]Cc2cnsn2)C1 ZINC001078457282 776141722 /nfs/dbraw/zinc/14/17/22/776141722.db2.gz SUDKLSRASHYRSN-SECBINFHSA-N 1 2 299.356 -1.270 20 0 CAADLO Cc1nnc(C[NH2+]C[C@H]2CN(C(=O)C(N)=O)CCCO2)o1 ZINC001078456941 776141745 /nfs/dbraw/zinc/14/17/45/776141745.db2.gz KVRLLCULLNIUBI-VIFPVBQESA-N 1 2 297.315 -1.430 20 0 CAADLO NC(=O)C(=O)N1CCCO[C@@H](C[NH2+]Cc2cnsn2)C1 ZINC001078457283 776141830 /nfs/dbraw/zinc/14/18/30/776141830.db2.gz SUDKLSRASHYRSN-VIFPVBQESA-N 1 2 299.356 -1.270 20 0 CAADLO NC(=O)C(=O)N1CCCO[C@H](C[NH2+]Cc2csnn2)C1 ZINC001078457364 776141889 /nfs/dbraw/zinc/14/18/89/776141889.db2.gz VMAJEYCRLAQQKK-SECBINFHSA-N 1 2 299.356 -1.270 20 0 CAADLO Cn1nnc(C[NH2+][C@H]2C[C@H](NC(=O)C(N)=O)C23CCC3)n1 ZINC001078713048 776144800 /nfs/dbraw/zinc/14/48/00/776144800.db2.gz LCOOQCWMLBTUOL-YUMQZZPRSA-N 1 2 293.331 -1.788 20 0 CAADLO Cn1nnc(C[NH2+][C@@H]2C[C@H](NC(=O)C(N)=O)C23CCC3)n1 ZINC001078713047 776145420 /nfs/dbraw/zinc/14/54/20/776145420.db2.gz LCOOQCWMLBTUOL-SFYZADRCSA-N 1 2 293.331 -1.788 20 0 CAADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)N1CC(CO)C1 ZINC001117053527 776148790 /nfs/dbraw/zinc/14/87/90/776148790.db2.gz BIPZIPGWFPBCRH-VIFPVBQESA-N 1 2 266.301 -1.162 20 0 CAADLO CC(=O)N[C@H]1CC[N@H+](CC(=O)NC2CCOCC2)C[C@@H]1O ZINC001089974880 776149850 /nfs/dbraw/zinc/14/98/50/776149850.db2.gz BKOMPHOBRBAXFZ-STQMWFEESA-N 1 2 299.371 -1.147 20 0 CAADLO CC(=O)N[C@H]1CC[N@@H+](CC(=O)NC2CCOCC2)C[C@@H]1O ZINC001089974880 776149857 /nfs/dbraw/zinc/14/98/57/776149857.db2.gz BKOMPHOBRBAXFZ-STQMWFEESA-N 1 2 299.371 -1.147 20 0 CAADLO Cc1nonc1C[NH2+][C@@H]1CN(C(=O)C(N)=O)C[C@H]1C ZINC001055019998 776150116 /nfs/dbraw/zinc/15/01/16/776150116.db2.gz IBRVEQXFEAGMJD-HZGVNTEJSA-N 1 2 267.289 -1.200 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cccnc2)[C@H](O)C1 ZINC001089973684 776150148 /nfs/dbraw/zinc/15/01/48/776150148.db2.gz QNFGCUNVGQSRDU-NWDGAFQWSA-N 1 2 292.339 -1.007 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cccnc2)[C@H](O)C1 ZINC001089973684 776150150 /nfs/dbraw/zinc/15/01/50/776150150.db2.gz QNFGCUNVGQSRDU-NWDGAFQWSA-N 1 2 292.339 -1.007 20 0 CAADLO CC(=O)N[C@@H]1CC[N@H+](CC(=O)N2CCNC(=O)C2)C[C@H]1O ZINC001089977062 776150701 /nfs/dbraw/zinc/15/07/01/776150701.db2.gz RYLISPVFQGCQBI-GHMZBOCLSA-N 1 2 298.343 -2.484 20 0 CAADLO CC(=O)N[C@@H]1CC[N@@H+](CC(=O)N2CCNC(=O)C2)C[C@H]1O ZINC001089977062 776150703 /nfs/dbraw/zinc/15/07/03/776150703.db2.gz RYLISPVFQGCQBI-GHMZBOCLSA-N 1 2 298.343 -2.484 20 0 CAADLO CC(=O)N[C@H]1CC[N@@H+](Cc2cnnn2C)C[C@H]1O ZINC001089977798 776151466 /nfs/dbraw/zinc/15/14/66/776151466.db2.gz YLCGYJOSMCIBBO-WDEREUQCSA-N 1 2 253.306 -1.114 20 0 CAADLO CC(=O)N[C@H]1CC[N@H+](Cc2cnnn2C)C[C@H]1O ZINC001089977798 776151472 /nfs/dbraw/zinc/15/14/72/776151472.db2.gz YLCGYJOSMCIBBO-WDEREUQCSA-N 1 2 253.306 -1.114 20 0 CAADLO C[C@@]1(CNC(=O)c2cn[nH]n2)C[N@H+](CCO)CCO1 ZINC001108045984 776151591 /nfs/dbraw/zinc/15/15/91/776151591.db2.gz GVVYCNRCKNNVQC-LLVKDONJSA-N 1 2 269.305 -1.382 20 0 CAADLO C[C@@]1(CNC(=O)c2cn[nH]n2)C[N@@H+](CCO)CCO1 ZINC001108045984 776151595 /nfs/dbraw/zinc/15/15/95/776151595.db2.gz GVVYCNRCKNNVQC-LLVKDONJSA-N 1 2 269.305 -1.382 20 0 CAADLO CCOCC(=O)N[C@H]1CC[N@H+](Cc2cnnn2C)C[C@@H]1O ZINC001099645917 776151884 /nfs/dbraw/zinc/15/18/84/776151884.db2.gz ZMGIBLQPELIEOR-RYUDHWBXSA-N 1 2 297.359 -1.097 20 0 CAADLO CCOCC(=O)N[C@H]1CC[N@@H+](Cc2cnnn2C)C[C@@H]1O ZINC001099645917 776151888 /nfs/dbraw/zinc/15/18/88/776151888.db2.gz ZMGIBLQPELIEOR-RYUDHWBXSA-N 1 2 297.359 -1.097 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)C(F)F)[C@H](O)C1 ZINC001089983119 776160518 /nfs/dbraw/zinc/16/05/18/776160518.db2.gz HHTLHBDUTATHHW-NKWVEPMBSA-N 1 2 265.260 -1.451 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)C(F)F)[C@H](O)C1 ZINC001089983119 776160522 /nfs/dbraw/zinc/16/05/22/776160522.db2.gz HHTLHBDUTATHHW-NKWVEPMBSA-N 1 2 265.260 -1.451 20 0 CAADLO Cc1noc(C[NH2+]CCNC(=O)Cn2nccn2)n1 ZINC001128268719 776155234 /nfs/dbraw/zinc/15/52/34/776155234.db2.gz CIFZHCLTFFKDMH-UHFFFAOYSA-N 1 2 265.277 -1.124 20 0 CAADLO CN(C)c1noc(C[NH2+]CCNC(=O)Cn2nccn2)n1 ZINC001128268700 776155297 /nfs/dbraw/zinc/15/52/97/776155297.db2.gz BXLKHRXFIKMJLK-UHFFFAOYSA-N 1 2 294.319 -1.367 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)C(F)F)[C@@H](O)C1 ZINC001089983598 776160777 /nfs/dbraw/zinc/16/07/77/776160777.db2.gz NKTDNNGQIRQVJK-WDSKDSINSA-N 1 2 251.233 -1.712 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)C(F)F)[C@@H](O)C1 ZINC001089983598 776160785 /nfs/dbraw/zinc/16/07/85/776160785.db2.gz NKTDNNGQIRQVJK-WDSKDSINSA-N 1 2 251.233 -1.712 20 0 CAADLO O=C(Cc1c[nH]c[nH+]1)N[C@@H]1CN(Cc2cnon2)C[C@@H]1O ZINC001083813990 776160988 /nfs/dbraw/zinc/16/09/88/776160988.db2.gz IHMFOPMZHIZKQG-MNOVXSKESA-N 1 2 292.299 -1.303 20 0 CAADLO CC[N@@H+]1CCOC[C@H]1CNC(=O)[C@H]1CCNC1=O ZINC001051065754 776162836 /nfs/dbraw/zinc/16/28/36/776162836.db2.gz JIMKCBZCRHJUSR-ZJUUUORDSA-N 1 2 255.318 -1.041 20 0 CAADLO CC[N@H+]1CCOC[C@H]1CNC(=O)[C@H]1CCNC1=O ZINC001051065754 776162840 /nfs/dbraw/zinc/16/28/40/776162840.db2.gz JIMKCBZCRHJUSR-ZJUUUORDSA-N 1 2 255.318 -1.041 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)C2CC2)[C@@H](O)C1 ZINC001089988151 776165966 /nfs/dbraw/zinc/16/59/66/776165966.db2.gz FPMCHHIWNTWDGW-UWVGGRQHSA-N 1 2 255.318 -1.306 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)C2CC2)[C@@H](O)C1 ZINC001089988151 776165976 /nfs/dbraw/zinc/16/59/76/776165976.db2.gz FPMCHHIWNTWDGW-UWVGGRQHSA-N 1 2 255.318 -1.306 20 0 CAADLO COC(=O)[C@@H](Cc1c[nH+]cn1C)NC(=O)[C@H]1CCC(=O)N1 ZINC001143128297 776167140 /nfs/dbraw/zinc/16/71/40/776167140.db2.gz OWGLEPYODDAWJC-NXEZZACHSA-N 1 2 294.311 -1.101 20 0 CAADLO COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)c2cn[nH]n2)[C@H](OC)C1 ZINC001212503026 776167167 /nfs/dbraw/zinc/16/71/67/776167167.db2.gz VFZNRCWZPGPDGC-JMJZKYOTSA-N 1 2 299.331 -1.759 20 0 CAADLO COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)c2cn[nH]n2)[C@H](OC)C1 ZINC001212503026 776167168 /nfs/dbraw/zinc/16/71/68/776167168.db2.gz VFZNRCWZPGPDGC-JMJZKYOTSA-N 1 2 299.331 -1.759 20 0 CAADLO COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)c2cnn[nH]2)[C@H](OC)C1 ZINC001212503026 776167174 /nfs/dbraw/zinc/16/71/74/776167174.db2.gz VFZNRCWZPGPDGC-JMJZKYOTSA-N 1 2 299.331 -1.759 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)C2CCC2)[C@H](O)C1 ZINC001090000917 776168639 /nfs/dbraw/zinc/16/86/39/776168639.db2.gz JNLWPLPGUZAKMU-NXEZZACHSA-N 1 2 255.318 -1.177 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)C2CCC2)[C@H](O)C1 ZINC001090000917 776168645 /nfs/dbraw/zinc/16/86/45/776168645.db2.gz JNLWPLPGUZAKMU-NXEZZACHSA-N 1 2 255.318 -1.177 20 0 CAADLO CC(C)(F)C(=O)N[C@H]1CC[N@H+](CC(N)=O)C[C@H]1O ZINC001089999936 776168855 /nfs/dbraw/zinc/16/88/55/776168855.db2.gz GJWFQAIZBGELKZ-JGVFFNPUSA-N 1 2 261.297 -1.229 20 0 CAADLO CC(C)(F)C(=O)N[C@H]1CC[N@@H+](CC(N)=O)C[C@H]1O ZINC001089999936 776168859 /nfs/dbraw/zinc/16/88/59/776168859.db2.gz GJWFQAIZBGELKZ-JGVFFNPUSA-N 1 2 261.297 -1.229 20 0 CAADLO CC(C)(F)C(=O)N[C@@H]1CC[N@H+](CC(N)=O)C[C@H]1O ZINC001089999935 776169225 /nfs/dbraw/zinc/16/92/25/776169225.db2.gz GJWFQAIZBGELKZ-HTQZYQBOSA-N 1 2 261.297 -1.229 20 0 CAADLO CC(C)(F)C(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C[C@H]1O ZINC001089999935 776169230 /nfs/dbraw/zinc/16/92/30/776169230.db2.gz GJWFQAIZBGELKZ-HTQZYQBOSA-N 1 2 261.297 -1.229 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ccccn2)[C@@H](O)C1 ZINC001090006113 776170305 /nfs/dbraw/zinc/17/03/05/776170305.db2.gz JQGHWWIUCTZLNJ-PWSUYJOCSA-N 1 2 292.339 -1.007 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2ccccn2)[C@@H](O)C1 ZINC001090006113 776170309 /nfs/dbraw/zinc/17/03/09/776170309.db2.gz JQGHWWIUCTZLNJ-PWSUYJOCSA-N 1 2 292.339 -1.007 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2ccccn2)[C@@H](O)C1 ZINC001090006112 776170343 /nfs/dbraw/zinc/17/03/43/776170343.db2.gz JQGHWWIUCTZLNJ-JQWIXIFHSA-N 1 2 292.339 -1.007 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)c2ccccn2)[C@@H](O)C1 ZINC001090006112 776170346 /nfs/dbraw/zinc/17/03/46/776170346.db2.gz JQGHWWIUCTZLNJ-JQWIXIFHSA-N 1 2 292.339 -1.007 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)C2CCOCC2)[C@@H](O)C1 ZINC001090012159 776170478 /nfs/dbraw/zinc/17/04/78/776170478.db2.gz GJDGBBYFOFWECP-RYUDHWBXSA-N 1 2 299.371 -1.290 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)C2CCOCC2)[C@@H](O)C1 ZINC001090012159 776170482 /nfs/dbraw/zinc/17/04/82/776170482.db2.gz GJDGBBYFOFWECP-RYUDHWBXSA-N 1 2 299.371 -1.290 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ccncc2)[C@@H](O)C1 ZINC001090015668 776172006 /nfs/dbraw/zinc/17/20/06/776172006.db2.gz YOAGBVZNWMRUCW-NEPJUHHUSA-N 1 2 292.339 -1.007 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2ccncc2)[C@@H](O)C1 ZINC001090015668 776172013 /nfs/dbraw/zinc/17/20/13/776172013.db2.gz YOAGBVZNWMRUCW-NEPJUHHUSA-N 1 2 292.339 -1.007 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2ccncc2)[C@@H](O)C1 ZINC001090015670 776172462 /nfs/dbraw/zinc/17/24/62/776172462.db2.gz YOAGBVZNWMRUCW-RYUDHWBXSA-N 1 2 292.339 -1.007 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)c2ccncc2)[C@@H](O)C1 ZINC001090015670 776172468 /nfs/dbraw/zinc/17/24/68/776172468.db2.gz YOAGBVZNWMRUCW-RYUDHWBXSA-N 1 2 292.339 -1.007 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)c2ccncc2)[C@H](O)C1 ZINC001090016898 776172641 /nfs/dbraw/zinc/17/26/41/776172641.db2.gz PQSMASQDNTUTLY-WDEREUQCSA-N 1 2 278.312 -1.268 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)c2ccncc2)[C@H](O)C1 ZINC001090016898 776172645 /nfs/dbraw/zinc/17/26/45/776172645.db2.gz PQSMASQDNTUTLY-WDEREUQCSA-N 1 2 278.312 -1.268 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)CSC)[C@H](O)C1 ZINC001099650223 776173274 /nfs/dbraw/zinc/17/32/74/776173274.db2.gz BNQSTGLUDICCGK-DTWKUNHWSA-N 1 2 275.374 -1.353 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)CSC)[C@H](O)C1 ZINC001099650223 776173279 /nfs/dbraw/zinc/17/32/79/776173279.db2.gz BNQSTGLUDICCGK-DTWKUNHWSA-N 1 2 275.374 -1.353 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)CSC)[C@@H](O)C1 ZINC001099650224 776173545 /nfs/dbraw/zinc/17/35/45/776173545.db2.gz BNQSTGLUDICCGK-IUCAKERBSA-N 1 2 275.374 -1.353 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)CSC)[C@@H](O)C1 ZINC001099650224 776173553 /nfs/dbraw/zinc/17/35/53/776173553.db2.gz BNQSTGLUDICCGK-IUCAKERBSA-N 1 2 275.374 -1.353 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C2=COCCO2)[C@H](O)C1 ZINC001090026447 776173659 /nfs/dbraw/zinc/17/36/59/776173659.db2.gz MNJITJXRMBGWPE-NXEZZACHSA-N 1 2 299.327 -1.828 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)C2=COCCO2)[C@H](O)C1 ZINC001090026447 776173664 /nfs/dbraw/zinc/17/36/64/776173664.db2.gz MNJITJXRMBGWPE-NXEZZACHSA-N 1 2 299.327 -1.828 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cnccn2)[C@H](O)C1 ZINC001090030317 776173688 /nfs/dbraw/zinc/17/36/88/776173688.db2.gz KMWUHURHPISYHO-GXSJLCMTSA-N 1 2 293.327 -1.612 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cnccn2)[C@H](O)C1 ZINC001090030317 776173694 /nfs/dbraw/zinc/17/36/94/776173694.db2.gz KMWUHURHPISYHO-GXSJLCMTSA-N 1 2 293.327 -1.612 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cc(C)on2)[C@@H](O)C1 ZINC001090029308 776173722 /nfs/dbraw/zinc/17/37/22/776173722.db2.gz FWHBEIDEMDJJEZ-ONGXEEELSA-N 1 2 296.327 -1.106 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cc(C)on2)[C@@H](O)C1 ZINC001090029308 776173727 /nfs/dbraw/zinc/17/37/27/776173727.db2.gz FWHBEIDEMDJJEZ-ONGXEEELSA-N 1 2 296.327 -1.106 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CSC)[C@H](O)C1 ZINC001099650225 776173900 /nfs/dbraw/zinc/17/39/00/776173900.db2.gz BNQSTGLUDICCGK-RKDXNWHRSA-N 1 2 275.374 -1.353 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)CSC)[C@H](O)C1 ZINC001099650225 776173903 /nfs/dbraw/zinc/17/39/03/776173903.db2.gz BNQSTGLUDICCGK-RKDXNWHRSA-N 1 2 275.374 -1.353 20 0 CAADLO Cc1cc(C(=O)N[C@@H]2CC[N@H+](CC(N)=O)C[C@@H]2O)no1 ZINC001090031492 776173924 /nfs/dbraw/zinc/17/39/24/776173924.db2.gz OAMHLBGWTAKDGS-SCZZXKLOSA-N 1 2 282.300 -1.367 20 0 CAADLO Cc1cc(C(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C[C@@H]2O)no1 ZINC001090031492 776173928 /nfs/dbraw/zinc/17/39/28/776173928.db2.gz OAMHLBGWTAKDGS-SCZZXKLOSA-N 1 2 282.300 -1.367 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)C2=COCCO2)[C@@H](O)C1 ZINC001090030651 776174114 /nfs/dbraw/zinc/17/41/14/776174114.db2.gz LEROKFWPDKEJMV-BDAKNGLRSA-N 1 2 285.300 -2.089 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)C2=COCCO2)[C@@H](O)C1 ZINC001090030651 776174116 /nfs/dbraw/zinc/17/41/16/776174116.db2.gz LEROKFWPDKEJMV-BDAKNGLRSA-N 1 2 285.300 -2.089 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cnccn2)[C@H](O)C1 ZINC001090030325 776174151 /nfs/dbraw/zinc/17/41/51/776174151.db2.gz KMWUHURHPISYHO-MWLCHTKSSA-N 1 2 293.327 -1.612 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cnccn2)[C@H](O)C1 ZINC001090030325 776174152 /nfs/dbraw/zinc/17/41/52/776174152.db2.gz KMWUHURHPISYHO-MWLCHTKSSA-N 1 2 293.327 -1.612 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cnccn2)[C@H](O)C1 ZINC001090037803 776175054 /nfs/dbraw/zinc/17/50/54/776175054.db2.gz LHDLPOLAHBPMBH-WCBMZHEXSA-N 1 2 279.300 -1.873 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)c2cnccn2)[C@H](O)C1 ZINC001090037803 776175057 /nfs/dbraw/zinc/17/50/57/776175057.db2.gz LHDLPOLAHBPMBH-WCBMZHEXSA-N 1 2 279.300 -1.873 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cc[n+]([O-])cc2)[C@H](O)C1 ZINC001090046337 776175130 /nfs/dbraw/zinc/17/51/30/776175130.db2.gz OPLXNARHYYXZEY-WDEREUQCSA-N 1 2 294.311 -2.030 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)c2cc[n+]([O-])cc2)[C@H](O)C1 ZINC001090046337 776175135 /nfs/dbraw/zinc/17/51/35/776175135.db2.gz OPLXNARHYYXZEY-WDEREUQCSA-N 1 2 294.311 -2.030 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cc(C)no2)[C@@H](O)C1 ZINC001090055912 776176549 /nfs/dbraw/zinc/17/65/49/776176549.db2.gz ANQLVUWRHOYPRH-UWVGGRQHSA-N 1 2 296.327 -1.106 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cc(C)no2)[C@@H](O)C1 ZINC001090055912 776176551 /nfs/dbraw/zinc/17/65/51/776176551.db2.gz ANQLVUWRHOYPRH-UWVGGRQHSA-N 1 2 296.327 -1.106 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cn2cnnn2)[C@H](O)C1 ZINC001090053752 776177057 /nfs/dbraw/zinc/17/70/57/776177057.db2.gz DMLVYPKNOGDWPJ-RKDXNWHRSA-N 1 2 297.319 -3.030 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)Cn2cnnn2)[C@H](O)C1 ZINC001090053752 776177061 /nfs/dbraw/zinc/17/70/61/776177061.db2.gz DMLVYPKNOGDWPJ-RKDXNWHRSA-N 1 2 297.319 -3.030 20 0 CAADLO Cn1cc(C(=O)N[C@@H]2CC[N@H+](CC(N)=O)C[C@H]2O)cn1 ZINC001090061290 776178868 /nfs/dbraw/zinc/17/88/68/776178868.db2.gz PHEXGJHSTXXPKV-NXEZZACHSA-N 1 2 281.316 -1.930 20 0 CAADLO Cn1cc(C(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C[C@H]2O)cn1 ZINC001090061290 776178872 /nfs/dbraw/zinc/17/88/72/776178872.db2.gz PHEXGJHSTXXPKV-NXEZZACHSA-N 1 2 281.316 -1.930 20 0 CAADLO Cc1cc(C(=O)N[C@@H]2CC[N@H+](CC(N)=O)C[C@H]2O)on1 ZINC001090058536 776179341 /nfs/dbraw/zinc/17/93/41/776179341.db2.gz SQOKBTCDUYKFAN-RKDXNWHRSA-N 1 2 282.300 -1.367 20 0 CAADLO Cc1cc(C(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C[C@H]2O)on1 ZINC001090058536 776179343 /nfs/dbraw/zinc/17/93/43/776179343.db2.gz SQOKBTCDUYKFAN-RKDXNWHRSA-N 1 2 282.300 -1.367 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ccoc2)[C@@H](O)C1 ZINC001090071651 776180392 /nfs/dbraw/zinc/18/03/92/776180392.db2.gz GWUYEILOOUYADZ-ZJUUUORDSA-N 1 2 267.285 -1.070 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)c2ccoc2)[C@@H](O)C1 ZINC001090071651 776180401 /nfs/dbraw/zinc/18/04/01/776180401.db2.gz GWUYEILOOUYADZ-ZJUUUORDSA-N 1 2 267.285 -1.070 20 0 CAADLO Cc1ccc(C(=O)N[C@H]2CC[N@H+](CC(N)=O)C[C@@H]2O)n1C ZINC001090068454 776180447 /nfs/dbraw/zinc/18/04/47/776180447.db2.gz LKKUPOLXOJOTTD-JQWIXIFHSA-N 1 2 294.355 -1.016 20 0 CAADLO Cc1ccc(C(=O)N[C@H]2CC[N@@H+](CC(N)=O)C[C@@H]2O)n1C ZINC001090068454 776180454 /nfs/dbraw/zinc/18/04/54/776180454.db2.gz LKKUPOLXOJOTTD-JQWIXIFHSA-N 1 2 294.355 -1.016 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)CN2CCCC2=O)[C@H](O)C1 ZINC001090061421 776180677 /nfs/dbraw/zinc/18/06/77/776180677.db2.gz QIDPIQQBXHGOLI-NXEZZACHSA-N 1 2 298.343 -2.355 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)CN2CCCC2=O)[C@H](O)C1 ZINC001090061421 776180683 /nfs/dbraw/zinc/18/06/83/776180683.db2.gz QIDPIQQBXHGOLI-NXEZZACHSA-N 1 2 298.343 -2.355 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)CN2CCCC2=O)[C@@H](O)C1 ZINC001090061424 776180752 /nfs/dbraw/zinc/18/07/52/776180752.db2.gz QIDPIQQBXHGOLI-ZJUUUORDSA-N 1 2 298.343 -2.355 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)CN2CCCC2=O)[C@@H](O)C1 ZINC001090061424 776180759 /nfs/dbraw/zinc/18/07/59/776180759.db2.gz QIDPIQQBXHGOLI-ZJUUUORDSA-N 1 2 298.343 -2.355 20 0 CAADLO Cc1noc(C)c1C(=O)N[C@@H]1CC[N@H+](CC(N)=O)C[C@H]1O ZINC001090064599 776180923 /nfs/dbraw/zinc/18/09/23/776180923.db2.gz LBMJOSBEJTWEQW-NXEZZACHSA-N 1 2 296.327 -1.058 20 0 CAADLO Cc1noc(C)c1C(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C[C@H]1O ZINC001090064599 776180926 /nfs/dbraw/zinc/18/09/26/776180926.db2.gz LBMJOSBEJTWEQW-NXEZZACHSA-N 1 2 296.327 -1.058 20 0 CAADLO Cc1ccc(C(=O)N[C@H]2CC[N@H+](CC(N)=O)C[C@H]2O)n1C ZINC001090068446 776181013 /nfs/dbraw/zinc/18/10/13/776181013.db2.gz LKKUPOLXOJOTTD-CMPLNLGQSA-N 1 2 294.355 -1.016 20 0 CAADLO Cc1ccc(C(=O)N[C@H]2CC[N@@H+](CC(N)=O)C[C@H]2O)n1C ZINC001090068446 776181015 /nfs/dbraw/zinc/18/10/15/776181015.db2.gz LKKUPOLXOJOTTD-CMPLNLGQSA-N 1 2 294.355 -1.016 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2ccc[nH]2)[C@H](O)C1 ZINC001090069598 776181033 /nfs/dbraw/zinc/18/10/33/776181033.db2.gz QZXXDWVMZPQXCJ-GXSJLCMTSA-N 1 2 280.328 -1.074 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)c2ccc[nH]2)[C@H](O)C1 ZINC001090069598 776181035 /nfs/dbraw/zinc/18/10/35/776181035.db2.gz QZXXDWVMZPQXCJ-GXSJLCMTSA-N 1 2 280.328 -1.074 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ccc[nH]2)[C@H](O)C1 ZINC001090069600 776181039 /nfs/dbraw/zinc/18/10/39/776181039.db2.gz QZXXDWVMZPQXCJ-MWLCHTKSSA-N 1 2 280.328 -1.074 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2ccc[nH]2)[C@H](O)C1 ZINC001090069600 776181040 /nfs/dbraw/zinc/18/10/40/776181040.db2.gz QZXXDWVMZPQXCJ-MWLCHTKSSA-N 1 2 280.328 -1.074 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)c2ccc[nH]2)[C@H](O)C1 ZINC001090067984 776181056 /nfs/dbraw/zinc/18/10/56/776181056.db2.gz IFGQXMZDXKEHRE-WCBMZHEXSA-N 1 2 266.301 -1.335 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)c2ccc[nH]2)[C@H](O)C1 ZINC001090067984 776181058 /nfs/dbraw/zinc/18/10/58/776181058.db2.gz IFGQXMZDXKEHRE-WCBMZHEXSA-N 1 2 266.301 -1.335 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cnn(C)c2)[C@H](O)C1 ZINC001090061521 776181077 /nfs/dbraw/zinc/18/10/77/776181077.db2.gz RZRVVKGRELFXSB-GHMZBOCLSA-N 1 2 295.343 -1.669 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cnn(C)c2)[C@H](O)C1 ZINC001090061521 776181079 /nfs/dbraw/zinc/18/10/79/776181079.db2.gz RZRVVKGRELFXSB-GHMZBOCLSA-N 1 2 295.343 -1.669 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)c2ccoc2)[C@H](O)C1 ZINC001090071650 776181108 /nfs/dbraw/zinc/18/11/08/776181108.db2.gz GWUYEILOOUYADZ-VHSXEESVSA-N 1 2 267.285 -1.070 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)c2ccoc2)[C@H](O)C1 ZINC001090071650 776181110 /nfs/dbraw/zinc/18/11/10/776181110.db2.gz GWUYEILOOUYADZ-VHSXEESVSA-N 1 2 267.285 -1.070 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)C(C)C)[C@@H](O)C1 ZINC001090085518 776183331 /nfs/dbraw/zinc/18/33/31/776183331.db2.gz AONOACKYCSSVQN-UWVGGRQHSA-N 1 2 257.334 -1.060 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)C(C)C)[C@@H](O)C1 ZINC001090085518 776183334 /nfs/dbraw/zinc/18/33/34/776183334.db2.gz AONOACKYCSSVQN-UWVGGRQHSA-N 1 2 257.334 -1.060 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C(C)C)[C@H](O)C1 ZINC001090085515 776183722 /nfs/dbraw/zinc/18/37/22/776183722.db2.gz AONOACKYCSSVQN-NXEZZACHSA-N 1 2 257.334 -1.060 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)C(C)C)[C@H](O)C1 ZINC001090085515 776183731 /nfs/dbraw/zinc/18/37/31/776183731.db2.gz AONOACKYCSSVQN-NXEZZACHSA-N 1 2 257.334 -1.060 20 0 CAADLO Cn1cccc1C(=O)N[C@H]1CC[N@H+](CC(N)=O)C[C@H]1O ZINC001090092496 776183986 /nfs/dbraw/zinc/18/39/86/776183986.db2.gz PHPQQKFYFTZYIZ-GXSJLCMTSA-N 1 2 280.328 -1.325 20 0 CAADLO Cn1cccc1C(=O)N[C@H]1CC[N@@H+](CC(N)=O)C[C@H]1O ZINC001090092496 776183989 /nfs/dbraw/zinc/18/39/89/776183989.db2.gz PHPQQKFYFTZYIZ-GXSJLCMTSA-N 1 2 280.328 -1.325 20 0 CAADLO CN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ccon2)[C@H](O)C1 ZINC001090095921 776184034 /nfs/dbraw/zinc/18/40/34/776184034.db2.gz JEGZRLAYIGPDPD-MWLCHTKSSA-N 1 2 296.327 -1.072 20 0 CAADLO CN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)c2ccon2)[C@H](O)C1 ZINC001090095921 776184037 /nfs/dbraw/zinc/18/40/37/776184037.db2.gz JEGZRLAYIGPDPD-MWLCHTKSSA-N 1 2 296.327 -1.072 20 0 CAADLO Cn1cccc1C(=O)N[C@@H]1CC[N@H+](CC(N)=O)C[C@H]1O ZINC001090092498 776184050 /nfs/dbraw/zinc/18/40/50/776184050.db2.gz PHPQQKFYFTZYIZ-MWLCHTKSSA-N 1 2 280.328 -1.325 20 0 CAADLO Cn1cccc1C(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C[C@H]1O ZINC001090092498 776184054 /nfs/dbraw/zinc/18/40/54/776184054.db2.gz PHPQQKFYFTZYIZ-MWLCHTKSSA-N 1 2 280.328 -1.325 20 0 CAADLO Cn1cccc1C(=O)N[C@H]1CC[N@H+](CC(N)=O)C[C@@H]1O ZINC001090092499 776184157 /nfs/dbraw/zinc/18/41/57/776184157.db2.gz PHPQQKFYFTZYIZ-ONGXEEELSA-N 1 2 280.328 -1.325 20 0 CAADLO Cn1cccc1C(=O)N[C@H]1CC[N@@H+](CC(N)=O)C[C@@H]1O ZINC001090092499 776184161 /nfs/dbraw/zinc/18/41/61/776184161.db2.gz PHPQQKFYFTZYIZ-ONGXEEELSA-N 1 2 280.328 -1.325 20 0 CAADLO C[C@@H]([NH2+]CCCNC(=O)c1ncn[nH]1)c1nnnn1C ZINC001168730951 776184185 /nfs/dbraw/zinc/18/41/85/776184185.db2.gz BLXAKNWGMKCBDO-SSDOTTSWSA-N 1 2 279.308 -1.201 20 0 CAADLO C[C@@H]([NH2+]CCCNC(=O)c1nc[nH]n1)c1nnnn1C ZINC001168730951 776184186 /nfs/dbraw/zinc/18/41/86/776184186.db2.gz BLXAKNWGMKCBDO-SSDOTTSWSA-N 1 2 279.308 -1.201 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cnns2)[C@@H](O)C1 ZINC001090101854 776185660 /nfs/dbraw/zinc/18/56/60/776185660.db2.gz CITJDCBAKPBSHL-BQBZGAKWSA-N 1 2 285.329 -1.812 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)c2cnns2)[C@@H](O)C1 ZINC001090101854 776185665 /nfs/dbraw/zinc/18/56/65/776185665.db2.gz CITJDCBAKPBSHL-BQBZGAKWSA-N 1 2 285.329 -1.812 20 0 CAADLO CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCS(=O)(=O)C2)[C@@H](O)C1 ZINC001083829357 776185787 /nfs/dbraw/zinc/18/57/87/776185787.db2.gz LAERVFMTNRQGTE-MXWKQRLJSA-N 1 2 290.385 -1.008 20 0 CAADLO CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCS(=O)(=O)C2)[C@@H](O)C1 ZINC001083829357 776185790 /nfs/dbraw/zinc/18/57/90/776185790.db2.gz LAERVFMTNRQGTE-MXWKQRLJSA-N 1 2 290.385 -1.008 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cnns2)[C@@H](O)C1 ZINC001090101865 776186661 /nfs/dbraw/zinc/18/66/61/776186661.db2.gz CQLFMXSKFQYWOC-YUMQZZPRSA-N 1 2 299.356 -1.551 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cnns2)[C@@H](O)C1 ZINC001090101865 776186667 /nfs/dbraw/zinc/18/66/67/776186667.db2.gz CQLFMXSKFQYWOC-YUMQZZPRSA-N 1 2 299.356 -1.551 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cnns2)[C@H](O)C1 ZINC001090101863 776186785 /nfs/dbraw/zinc/18/67/85/776186785.db2.gz CQLFMXSKFQYWOC-JGVFFNPUSA-N 1 2 299.356 -1.551 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cnns2)[C@H](O)C1 ZINC001090101863 776186792 /nfs/dbraw/zinc/18/67/92/776186792.db2.gz CQLFMXSKFQYWOC-JGVFFNPUSA-N 1 2 299.356 -1.551 20 0 CAADLO CCc1cc(C(=O)N[C@H]2CC[N@H+](CC(N)=O)C[C@H]2O)[nH]n1 ZINC001090101339 776187197 /nfs/dbraw/zinc/18/71/97/776187197.db2.gz XFMZWGYERVWJRI-GXSJLCMTSA-N 1 2 295.343 -1.378 20 0 CAADLO CCc1cc(C(=O)N[C@H]2CC[N@@H+](CC(N)=O)C[C@H]2O)[nH]n1 ZINC001090101339 776187200 /nfs/dbraw/zinc/18/72/00/776187200.db2.gz XFMZWGYERVWJRI-GXSJLCMTSA-N 1 2 295.343 -1.378 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ccn[nH]2)[C@H](O)C1 ZINC001090101598 776187383 /nfs/dbraw/zinc/18/73/83/776187383.db2.gz ZVGHFSOWNGLSTF-PSASIEDQSA-N 1 2 281.316 -1.679 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2ccn[nH]2)[C@H](O)C1 ZINC001090101598 776187384 /nfs/dbraw/zinc/18/73/84/776187384.db2.gz ZVGHFSOWNGLSTF-PSASIEDQSA-N 1 2 281.316 -1.679 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ccn[nH]2)[C@H](O)C1 ZINC001090101552 776187446 /nfs/dbraw/zinc/18/74/46/776187446.db2.gz ZETWOIUIJIDHEO-VXNVDRBHSA-N 1 2 267.289 -1.940 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)c2ccn[nH]2)[C@H](O)C1 ZINC001090101552 776187448 /nfs/dbraw/zinc/18/74/48/776187448.db2.gz ZETWOIUIJIDHEO-VXNVDRBHSA-N 1 2 267.289 -1.940 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)c2ccn[nH]2)[C@@H](O)C1 ZINC001090101549 776187453 /nfs/dbraw/zinc/18/74/53/776187453.db2.gz ZETWOIUIJIDHEO-CBAPKCEASA-N 1 2 267.289 -1.940 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)c2ccn[nH]2)[C@@H](O)C1 ZINC001090101549 776187458 /nfs/dbraw/zinc/18/74/58/776187458.db2.gz ZETWOIUIJIDHEO-CBAPKCEASA-N 1 2 267.289 -1.940 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cc(C)n[nH]2)[C@@H](O)C1 ZINC001090105441 776188897 /nfs/dbraw/zinc/18/88/97/776188897.db2.gz VYCUSHAJDJNAIS-ONGXEEELSA-N 1 2 295.343 -1.371 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cc(C)n[nH]2)[C@@H](O)C1 ZINC001090105441 776188900 /nfs/dbraw/zinc/18/89/00/776188900.db2.gz VYCUSHAJDJNAIS-ONGXEEELSA-N 1 2 295.343 -1.371 20 0 CAADLO C[C@H](CNc1ncnc2c1C[N@H+](C)CC2)NC(=O)C(N)=O ZINC001108075033 776188956 /nfs/dbraw/zinc/18/89/56/776188956.db2.gz QXDBHBYYEFMTSO-MRVPVSSYSA-N 1 2 292.343 -1.134 20 0 CAADLO C[C@H](CNc1ncnc2c1C[N@@H+](C)CC2)NC(=O)C(N)=O ZINC001108075033 776188959 /nfs/dbraw/zinc/18/89/59/776188959.db2.gz QXDBHBYYEFMTSO-MRVPVSSYSA-N 1 2 292.343 -1.134 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cc(C)n[nH]2)[C@@H](O)C1 ZINC001090105438 776189068 /nfs/dbraw/zinc/18/90/68/776189068.db2.gz VYCUSHAJDJNAIS-KOLCDFICSA-N 1 2 295.343 -1.371 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cc(C)n[nH]2)[C@@H](O)C1 ZINC001090105438 776189075 /nfs/dbraw/zinc/18/90/75/776189075.db2.gz VYCUSHAJDJNAIS-KOLCDFICSA-N 1 2 295.343 -1.371 20 0 CAADLO Cc1cnn(CC(=O)N[C@@H]2CC[N@H+](CC(N)=O)C[C@H]2O)c1 ZINC001090111297 776191185 /nfs/dbraw/zinc/19/11/85/776191185.db2.gz KJKMJIDWWNFDCD-GHMZBOCLSA-N 1 2 295.343 -1.772 20 0 CAADLO Cc1cnn(CC(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C[C@H]2O)c1 ZINC001090111297 776191188 /nfs/dbraw/zinc/19/11/88/776191188.db2.gz KJKMJIDWWNFDCD-GHMZBOCLSA-N 1 2 295.343 -1.772 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cnsn2)[C@H](O)C1 ZINC001090108653 776191844 /nfs/dbraw/zinc/19/18/44/776191844.db2.gz POXXBPVAEJUCSE-HTRCEHHLSA-N 1 2 285.329 -1.812 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cnsn2)[C@H](O)C1 ZINC001090108653 776191847 /nfs/dbraw/zinc/19/18/47/776191847.db2.gz POXXBPVAEJUCSE-HTRCEHHLSA-N 1 2 285.329 -1.812 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cnsn2)[C@@H](O)C1 ZINC001090110118 776192077 /nfs/dbraw/zinc/19/20/77/776192077.db2.gz UJWQTMAPUDCYHJ-CBAPKCEASA-N 1 2 299.356 -1.551 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cnsn2)[C@@H](O)C1 ZINC001090110118 776192078 /nfs/dbraw/zinc/19/20/78/776192078.db2.gz UJWQTMAPUDCYHJ-CBAPKCEASA-N 1 2 299.356 -1.551 20 0 CAADLO C[C@@H](CC[NH2+]Cc1nnnn1C)NC(=O)Cc1nnc[nH]1 ZINC001273113435 776193560 /nfs/dbraw/zinc/19/35/60/776193560.db2.gz UIMODBGWQLLNMG-QMMMGPOBSA-N 1 2 293.335 -1.445 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ccnc(F)c2)[C@H](O)C1 ZINC001090113519 776193703 /nfs/dbraw/zinc/19/37/03/776193703.db2.gz LWMJUIXUVXIRIT-NXEZZACHSA-N 1 2 296.302 -1.129 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)c2ccnc(F)c2)[C@H](O)C1 ZINC001090113519 776193708 /nfs/dbraw/zinc/19/37/08/776193708.db2.gz LWMJUIXUVXIRIT-NXEZZACHSA-N 1 2 296.302 -1.129 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)C2=COCCC2)[C@@H](O)C1 ZINC001090122154 776195079 /nfs/dbraw/zinc/19/50/79/776195079.db2.gz DTIQJULXQOGUPJ-RYUDHWBXSA-N 1 2 297.355 -1.022 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)C2=COCCC2)[C@@H](O)C1 ZINC001090122154 776195086 /nfs/dbraw/zinc/19/50/86/776195086.db2.gz DTIQJULXQOGUPJ-RYUDHWBXSA-N 1 2 297.355 -1.022 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ncoc2C)[C@H](O)C1 ZINC001090120857 776195241 /nfs/dbraw/zinc/19/52/41/776195241.db2.gz VNRLORCXHCSGDT-NXEZZACHSA-N 1 2 296.327 -1.106 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2ncoc2C)[C@H](O)C1 ZINC001090120857 776195246 /nfs/dbraw/zinc/19/52/46/776195246.db2.gz VNRLORCXHCSGDT-NXEZZACHSA-N 1 2 296.327 -1.106 20 0 CAADLO CC[C@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)c2nc(C)c[nH]2)[C@@H](O)C1 ZINC001083848254 776195350 /nfs/dbraw/zinc/19/53/50/776195350.db2.gz SNKJQZVQJNNMET-BBBLOLIVSA-N 1 2 295.343 -1.243 20 0 CAADLO CC[C@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)c2nc(C)c[nH]2)[C@@H](O)C1 ZINC001083848254 776195352 /nfs/dbraw/zinc/19/53/52/776195352.db2.gz SNKJQZVQJNNMET-BBBLOLIVSA-N 1 2 295.343 -1.243 20 0 CAADLO Cc1ocnc1C(=O)N[C@H]1CC[N@H+](CC(N)=O)C[C@H]1O ZINC001090118368 776195439 /nfs/dbraw/zinc/19/54/39/776195439.db2.gz JZTPTNCNNZNDLB-DTWKUNHWSA-N 1 2 282.300 -1.367 20 0 CAADLO Cc1ocnc1C(=O)N[C@H]1CC[N@@H+](CC(N)=O)C[C@H]1O ZINC001090118368 776195442 /nfs/dbraw/zinc/19/54/42/776195442.db2.gz JZTPTNCNNZNDLB-DTWKUNHWSA-N 1 2 282.300 -1.367 20 0 CAADLO Cc1ocnc1C(=O)N[C@H]1CC[N@H+](CC(N)=O)C[C@@H]1O ZINC001090118369 776195467 /nfs/dbraw/zinc/19/54/67/776195467.db2.gz JZTPTNCNNZNDLB-IUCAKERBSA-N 1 2 282.300 -1.367 20 0 CAADLO Cc1ocnc1C(=O)N[C@H]1CC[N@@H+](CC(N)=O)C[C@@H]1O ZINC001090118369 776195469 /nfs/dbraw/zinc/19/54/69/776195469.db2.gz JZTPTNCNNZNDLB-IUCAKERBSA-N 1 2 282.300 -1.367 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2ncoc2C)[C@@H](O)C1 ZINC001090120858 776195478 /nfs/dbraw/zinc/19/54/78/776195478.db2.gz VNRLORCXHCSGDT-UWVGGRQHSA-N 1 2 296.327 -1.106 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)c2ncoc2C)[C@@H](O)C1 ZINC001090120858 776195479 /nfs/dbraw/zinc/19/54/79/776195479.db2.gz VNRLORCXHCSGDT-UWVGGRQHSA-N 1 2 296.327 -1.106 20 0 CAADLO Cc1ocnc1C(=O)N[C@@H]1CC[N@H+](CC(N)=O)C[C@H]1O ZINC001090118370 776195485 /nfs/dbraw/zinc/19/54/85/776195485.db2.gz JZTPTNCNNZNDLB-RKDXNWHRSA-N 1 2 282.300 -1.367 20 0 CAADLO Cc1ocnc1C(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C[C@H]1O ZINC001090118370 776195488 /nfs/dbraw/zinc/19/54/88/776195488.db2.gz JZTPTNCNNZNDLB-RKDXNWHRSA-N 1 2 282.300 -1.367 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cc2ccon2)[C@H](O)C1 ZINC001090128700 776196094 /nfs/dbraw/zinc/19/60/94/776196094.db2.gz HSZBTBUFPGMLCL-GHMZBOCLSA-N 1 2 296.327 -1.486 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)Cc2ccon2)[C@H](O)C1 ZINC001090128700 776196101 /nfs/dbraw/zinc/19/61/01/776196101.db2.gz HSZBTBUFPGMLCL-GHMZBOCLSA-N 1 2 296.327 -1.486 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cocn2)[C@@H](O)C1 ZINC001090128475 776196500 /nfs/dbraw/zinc/19/65/00/776196500.db2.gz LXYYPTITHRMQAQ-APPZFPTMSA-N 1 2 268.273 -1.675 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cocn2)[C@@H](O)C1 ZINC001090128475 776196503 /nfs/dbraw/zinc/19/65/03/776196503.db2.gz LXYYPTITHRMQAQ-APPZFPTMSA-N 1 2 268.273 -1.675 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)C2=COCCC2)[C@@H](O)C1 ZINC001090124606 776196532 /nfs/dbraw/zinc/19/65/32/776196532.db2.gz SODUUMVZINUFAK-MNOVXSKESA-N 1 2 283.328 -1.283 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)C2=COCCC2)[C@@H](O)C1 ZINC001090124606 776196539 /nfs/dbraw/zinc/19/65/39/776196539.db2.gz SODUUMVZINUFAK-MNOVXSKESA-N 1 2 283.328 -1.283 20 0 CAADLO Cc1cc(C(=O)N[C@@H]2CC[N@H+](CC(N)=O)C[C@H]2O)nn1C ZINC001090130758 776196664 /nfs/dbraw/zinc/19/66/64/776196664.db2.gz WHCPEEWDPRVANL-MWLCHTKSSA-N 1 2 295.343 -1.621 20 0 CAADLO Cn1nccc1C(=O)N[C@H]1CC[N@H+](CC(N)=O)C[C@H]1O ZINC001090128845 776196608 /nfs/dbraw/zinc/19/66/08/776196608.db2.gz IIOIRTIJGKHKAK-WCBMZHEXSA-N 1 2 281.316 -1.930 20 0 CAADLO Cn1nccc1C(=O)N[C@H]1CC[N@@H+](CC(N)=O)C[C@H]1O ZINC001090128845 776196613 /nfs/dbraw/zinc/19/66/13/776196613.db2.gz IIOIRTIJGKHKAK-WCBMZHEXSA-N 1 2 281.316 -1.930 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ccnn2C)[C@H](O)C1 ZINC001090129979 776196651 /nfs/dbraw/zinc/19/66/51/776196651.db2.gz RYQUKDVSVMHJPX-MWLCHTKSSA-N 1 2 295.343 -1.669 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2ccnn2C)[C@H](O)C1 ZINC001090129979 776196654 /nfs/dbraw/zinc/19/66/54/776196654.db2.gz RYQUKDVSVMHJPX-MWLCHTKSSA-N 1 2 295.343 -1.669 20 0 CAADLO Cc1cc(C(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C[C@H]2O)nn1C ZINC001090130758 776196667 /nfs/dbraw/zinc/19/66/67/776196667.db2.gz WHCPEEWDPRVANL-MWLCHTKSSA-N 1 2 295.343 -1.621 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)C2=COCCC2)[C@@H](O)C1 ZINC001090124607 776196689 /nfs/dbraw/zinc/19/66/89/776196689.db2.gz SODUUMVZINUFAK-QWRGUYRKSA-N 1 2 283.328 -1.283 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)C2=COCCC2)[C@@H](O)C1 ZINC001090124607 776196691 /nfs/dbraw/zinc/19/66/91/776196691.db2.gz SODUUMVZINUFAK-QWRGUYRKSA-N 1 2 283.328 -1.283 20 0 CAADLO Cc1cc(C(=O)N[C@H]2CC[N@H+](CC(N)=O)C[C@@H]2O)nn1C ZINC001090130759 776196694 /nfs/dbraw/zinc/19/66/94/776196694.db2.gz WHCPEEWDPRVANL-ONGXEEELSA-N 1 2 295.343 -1.621 20 0 CAADLO Cc1cc(C(=O)N[C@H]2CC[N@@H+](CC(N)=O)C[C@@H]2O)nn1C ZINC001090130759 776196696 /nfs/dbraw/zinc/19/66/96/776196696.db2.gz WHCPEEWDPRVANL-ONGXEEELSA-N 1 2 295.343 -1.621 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cnc(C)[nH]2)[C@@H](O)C1 ZINC001090123932 776196832 /nfs/dbraw/zinc/19/68/32/776196832.db2.gz PJKYPOBNSQESMA-KOLCDFICSA-N 1 2 295.343 -1.371 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cnc(C)[nH]2)[C@@H](O)C1 ZINC001090123932 776196835 /nfs/dbraw/zinc/19/68/35/776196835.db2.gz PJKYPOBNSQESMA-KOLCDFICSA-N 1 2 295.343 -1.371 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)c2nccnc2N)[C@@H](O)C1 ZINC001090135475 776197661 /nfs/dbraw/zinc/19/76/61/776197661.db2.gz ADOKWBPIRRBBTM-YUMQZZPRSA-N 1 2 294.315 -2.291 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)c2nccnc2N)[C@@H](O)C1 ZINC001090135475 776197666 /nfs/dbraw/zinc/19/76/66/776197666.db2.gz ADOKWBPIRRBBTM-YUMQZZPRSA-N 1 2 294.315 -2.291 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2nccnc2N)[C@H](O)C1 ZINC001090135466 776198313 /nfs/dbraw/zinc/19/83/13/776198313.db2.gz ADOKWBPIRRBBTM-HTQZYQBOSA-N 1 2 294.315 -2.291 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)c2nccnc2N)[C@H](O)C1 ZINC001090135466 776198317 /nfs/dbraw/zinc/19/83/17/776198317.db2.gz ADOKWBPIRRBBTM-HTQZYQBOSA-N 1 2 294.315 -2.291 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cscn2)[C@H](O)C1 ZINC001090134968 776198415 /nfs/dbraw/zinc/19/84/15/776198415.db2.gz RUQFBDZCZLEIDO-IONNQARKSA-N 1 2 284.341 -1.207 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)c2cscn2)[C@H](O)C1 ZINC001090134968 776198417 /nfs/dbraw/zinc/19/84/17/776198417.db2.gz RUQFBDZCZLEIDO-IONNQARKSA-N 1 2 284.341 -1.207 20 0 CAADLO CCS(=O)(=O)NCC(=O)NCC[NH2+]Cc1cnon1 ZINC001128594265 776199108 /nfs/dbraw/zinc/19/91/08/776199108.db2.gz ADZRJYMBZHQRJC-UHFFFAOYSA-N 1 2 291.333 -1.785 20 0 CAADLO COCC(=O)N(C)CC(=O)NCC[NH2+]Cc1nnc(C)o1 ZINC001128619367 776200153 /nfs/dbraw/zinc/20/01/53/776200153.db2.gz VUQHYXZMIVECQX-UHFFFAOYSA-N 1 2 299.331 -1.311 20 0 CAADLO COCC(=O)N(C)CC(=O)NCC[NH2+]Cc1nonc1C ZINC001128618949 776200312 /nfs/dbraw/zinc/20/03/12/776200312.db2.gz HBGFTDZPMJIVCG-UHFFFAOYSA-N 1 2 299.331 -1.311 20 0 CAADLO COCC(=O)N(C)CC(=O)NCC[NH2+]Cc1nc(C)no1 ZINC001128618980 776200367 /nfs/dbraw/zinc/20/03/67/776200367.db2.gz IKCFMJCBEVSGJN-UHFFFAOYSA-N 1 2 299.331 -1.311 20 0 CAADLO CS(=O)(=O)NCCC(=O)NCC[NH2+]Cc1cnon1 ZINC001128609022 776201081 /nfs/dbraw/zinc/20/10/81/776201081.db2.gz KWTXYWHMVRPNLE-UHFFFAOYSA-N 1 2 291.333 -1.785 20 0 CAADLO CN1C[C@H](C(=O)NCC[NH2+]Cc2nc(=O)n(C)[nH]2)CC1=O ZINC001128664547 776203313 /nfs/dbraw/zinc/20/33/13/776203313.db2.gz FKILEXFUOABHLJ-MRVPVSSYSA-N 1 2 296.331 -2.208 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ccc(F)nc2)[C@H](O)C1 ZINC001090138077 776206643 /nfs/dbraw/zinc/20/66/43/776206643.db2.gz RTRCMBNMTNKCHM-NXEZZACHSA-N 1 2 296.302 -1.129 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)c2ccc(F)nc2)[C@H](O)C1 ZINC001090138077 776206650 /nfs/dbraw/zinc/20/66/50/776206650.db2.gz RTRCMBNMTNKCHM-NXEZZACHSA-N 1 2 296.302 -1.129 20 0 CAADLO COCC(=O)NCCC(=O)NCC[NH2+]Cc1nonc1C ZINC001128685902 776207372 /nfs/dbraw/zinc/20/73/72/776207372.db2.gz IRSZHRDYHKGOBL-UHFFFAOYSA-N 1 2 299.331 -1.263 20 0 CAADLO C[C@H](C(=O)NCC[NH2+]Cc1cnon1)N1C(=O)CCC1=O ZINC001128719012 776209432 /nfs/dbraw/zinc/20/94/32/776209432.db2.gz BBGJIFBRZJTUHO-MRVPVSSYSA-N 1 2 295.299 -1.187 20 0 CAADLO Cc1cc(CC(=O)N[C@H]2CC[N@H+](CC(N)=O)C[C@H]2O)no1 ZINC001090143023 776210043 /nfs/dbraw/zinc/21/00/43/776210043.db2.gz XVWQNPSLRDXFOF-WDEREUQCSA-N 1 2 296.327 -1.438 20 0 CAADLO Cc1cc(CC(=O)N[C@H]2CC[N@@H+](CC(N)=O)C[C@H]2O)no1 ZINC001090143023 776210050 /nfs/dbraw/zinc/21/00/50/776210050.db2.gz XVWQNPSLRDXFOF-WDEREUQCSA-N 1 2 296.327 -1.438 20 0 CAADLO CC(C)C(=O)N[C@H]1CC[N@H+](CC(=O)NC(N)=O)C[C@H]1O ZINC001099671026 776210236 /nfs/dbraw/zinc/21/02/36/776210236.db2.gz AUHUSZOMPABCCZ-DTWKUNHWSA-N 1 2 286.332 -1.611 20 0 CAADLO CC(C)C(=O)N[C@H]1CC[N@@H+](CC(=O)NC(N)=O)C[C@H]1O ZINC001099671026 776210242 /nfs/dbraw/zinc/21/02/42/776210242.db2.gz AUHUSZOMPABCCZ-DTWKUNHWSA-N 1 2 286.332 -1.611 20 0 CAADLO Cc1cc(CC(=O)N[C@@H]2CC[N@H+](CC(N)=O)C[C@H]2O)no1 ZINC001090143009 776210354 /nfs/dbraw/zinc/21/03/54/776210354.db2.gz XVWQNPSLRDXFOF-GHMZBOCLSA-N 1 2 296.327 -1.438 20 0 CAADLO Cc1cc(CC(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C[C@H]2O)no1 ZINC001090143009 776210360 /nfs/dbraw/zinc/21/03/60/776210360.db2.gz XVWQNPSLRDXFOF-GHMZBOCLSA-N 1 2 296.327 -1.438 20 0 CAADLO Cc1cc(CC(=O)N[C@H]2CC[N@H+](CC(N)=O)C[C@@H]2O)no1 ZINC001090143021 776211179 /nfs/dbraw/zinc/21/11/79/776211179.db2.gz XVWQNPSLRDXFOF-QWRGUYRKSA-N 1 2 296.327 -1.438 20 0 CAADLO Cc1cc(CC(=O)N[C@H]2CC[N@@H+](CC(N)=O)C[C@@H]2O)no1 ZINC001090143021 776211183 /nfs/dbraw/zinc/21/11/83/776211183.db2.gz XVWQNPSLRDXFOF-QWRGUYRKSA-N 1 2 296.327 -1.438 20 0 CAADLO Cc1cc(CC(=O)N[C@@H]2CC[N@H+](CC(N)=O)C[C@@H]2O)no1 ZINC001090143019 776211288 /nfs/dbraw/zinc/21/12/88/776211288.db2.gz XVWQNPSLRDXFOF-MNOVXSKESA-N 1 2 296.327 -1.438 20 0 CAADLO Cc1cc(CC(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C[C@@H]2O)no1 ZINC001090143019 776211293 /nfs/dbraw/zinc/21/12/93/776211293.db2.gz XVWQNPSLRDXFOF-MNOVXSKESA-N 1 2 296.327 -1.438 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)CC2CCOCC2)[C@H](O)C1 ZINC001090148632 776211888 /nfs/dbraw/zinc/21/18/88/776211888.db2.gz BQIYKILCSPEFOQ-VXGBXAGGSA-N 1 2 299.371 -1.160 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)CC2CCOCC2)[C@H](O)C1 ZINC001090148632 776211894 /nfs/dbraw/zinc/21/18/94/776211894.db2.gz BQIYKILCSPEFOQ-VXGBXAGGSA-N 1 2 299.371 -1.160 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)Cc2ccon2)[C@@H](O)C1 ZINC001090148394 776211915 /nfs/dbraw/zinc/21/19/15/776211915.db2.gz IAHKVUNGQKVRNV-UWVGGRQHSA-N 1 2 282.300 -1.746 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)Cc2ccon2)[C@@H](O)C1 ZINC001090148394 776211920 /nfs/dbraw/zinc/21/19/20/776211920.db2.gz IAHKVUNGQKVRNV-UWVGGRQHSA-N 1 2 282.300 -1.746 20 0 CAADLO Cc1ncc(C(=O)N[C@H]2CC[N@H+](CC(N)=O)C[C@@H]2O)[nH]1 ZINC001090150357 776212587 /nfs/dbraw/zinc/21/25/87/776212587.db2.gz OLDCBSPTTGBGGN-WPRPVWTQSA-N 1 2 281.316 -1.632 20 0 CAADLO Cc1ncc(C(=O)N[C@H]2CC[N@@H+](CC(N)=O)C[C@@H]2O)[nH]1 ZINC001090150357 776212590 /nfs/dbraw/zinc/21/25/90/776212590.db2.gz OLDCBSPTTGBGGN-WPRPVWTQSA-N 1 2 281.316 -1.632 20 0 CAADLO CCc1ocnc1C(=O)N[C@H]1CC[N@H+](CC(N)=O)C[C@H]1O ZINC001090151435 776212669 /nfs/dbraw/zinc/21/26/69/776212669.db2.gz RQXSIDYQLATLHR-DTWKUNHWSA-N 1 2 296.327 -1.113 20 0 CAADLO CCc1ocnc1C(=O)N[C@H]1CC[N@@H+](CC(N)=O)C[C@H]1O ZINC001090151435 776212675 /nfs/dbraw/zinc/21/26/75/776212675.db2.gz RQXSIDYQLATLHR-DTWKUNHWSA-N 1 2 296.327 -1.113 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)C2CC=CC2)[C@@H](O)C1 ZINC001090154588 776212850 /nfs/dbraw/zinc/21/28/50/776212850.db2.gz GUMKZEZHYXOBLB-QWRGUYRKSA-N 1 2 267.329 -1.011 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)C2CC=CC2)[C@@H](O)C1 ZINC001090154588 776212855 /nfs/dbraw/zinc/21/28/55/776212855.db2.gz GUMKZEZHYXOBLB-QWRGUYRKSA-N 1 2 267.329 -1.011 20 0 CAADLO CCn1cc(C(=O)N[C@H]2CC[N@H+](CC(N)=O)C[C@H]2O)cn1 ZINC001090146475 776212719 /nfs/dbraw/zinc/21/27/19/776212719.db2.gz VJKQSCYUVNUXJG-WDEREUQCSA-N 1 2 295.343 -1.447 20 0 CAADLO CCn1cc(C(=O)N[C@H]2CC[N@@H+](CC(N)=O)C[C@H]2O)cn1 ZINC001090146475 776212725 /nfs/dbraw/zinc/21/27/25/776212725.db2.gz VJKQSCYUVNUXJG-WDEREUQCSA-N 1 2 295.343 -1.447 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)CC2CCOCC2)[C@H](O)C1 ZINC001090148630 776213021 /nfs/dbraw/zinc/21/30/21/776213021.db2.gz BQIYKILCSPEFOQ-NWDGAFQWSA-N 1 2 299.371 -1.160 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)CC2CCOCC2)[C@H](O)C1 ZINC001090148630 776213023 /nfs/dbraw/zinc/21/30/23/776213023.db2.gz BQIYKILCSPEFOQ-NWDGAFQWSA-N 1 2 299.371 -1.160 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ocnc2C)[C@@H](O)C1 ZINC001090171228 776213909 /nfs/dbraw/zinc/21/39/09/776213909.db2.gz OHHWQWYSNFJKLN-ZJUUUORDSA-N 1 2 296.327 -1.106 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2ocnc2C)[C@@H](O)C1 ZINC001090171228 776213915 /nfs/dbraw/zinc/21/39/15/776213915.db2.gz OHHWQWYSNFJKLN-ZJUUUORDSA-N 1 2 296.327 -1.106 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cc2cc[nH]n2)[C@@H](O)C1 ZINC001090157235 776214129 /nfs/dbraw/zinc/21/41/29/776214129.db2.gz ZHMNMTBVOWRFAO-MNOVXSKESA-N 1 2 295.343 -1.750 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)Cc2cc[nH]n2)[C@@H](O)C1 ZINC001090157235 776214133 /nfs/dbraw/zinc/21/41/33/776214133.db2.gz ZHMNMTBVOWRFAO-MNOVXSKESA-N 1 2 295.343 -1.750 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cc2cc[nH]n2)[C@@H](O)C1 ZINC001090160332 776214432 /nfs/dbraw/zinc/21/44/32/776214432.db2.gz ZCPQJSAZRLUEDU-ZJUUUORDSA-N 1 2 281.316 -2.011 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)Cc2cc[nH]n2)[C@@H](O)C1 ZINC001090160332 776214441 /nfs/dbraw/zinc/21/44/41/776214441.db2.gz ZCPQJSAZRLUEDU-ZJUUUORDSA-N 1 2 281.316 -2.011 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cccc(=O)[nH]2)[C@@H](O)C1 ZINC001090169451 776214692 /nfs/dbraw/zinc/21/46/92/776214692.db2.gz HEVQKELQFHYUAC-SCZZXKLOSA-N 1 2 294.311 -1.563 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cccc(=O)[nH]2)[C@@H](O)C1 ZINC001090169451 776214700 /nfs/dbraw/zinc/21/47/00/776214700.db2.gz HEVQKELQFHYUAC-SCZZXKLOSA-N 1 2 294.311 -1.563 20 0 CAADLO Cc1c(C(=O)N[C@@H]2CC[N@H+](CC(N)=O)C[C@@H]2O)nnn1C ZINC001090159713 776214864 /nfs/dbraw/zinc/21/48/64/776214864.db2.gz VJBRCROQVZMDMF-BDAKNGLRSA-N 1 2 296.331 -2.226 20 0 CAADLO Cc1c(C(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C[C@@H]2O)nnn1C ZINC001090159713 776214870 /nfs/dbraw/zinc/21/48/70/776214870.db2.gz VJBRCROQVZMDMF-BDAKNGLRSA-N 1 2 296.331 -2.226 20 0 CAADLO Cc1ncoc1C(=O)N[C@H]1CC[N@H+](CC(N)=O)C[C@H]1O ZINC001090175430 776215650 /nfs/dbraw/zinc/21/56/50/776215650.db2.gz SWUBGDDFEYHIKR-DTWKUNHWSA-N 1 2 282.300 -1.367 20 0 CAADLO Cc1ncoc1C(=O)N[C@H]1CC[N@@H+](CC(N)=O)C[C@H]1O ZINC001090175430 776215654 /nfs/dbraw/zinc/21/56/54/776215654.db2.gz SWUBGDDFEYHIKR-DTWKUNHWSA-N 1 2 282.300 -1.367 20 0 CAADLO CNC(=O)NCC(=O)NCC[NH2+]Cc1nonc1C ZINC001128790743 776215681 /nfs/dbraw/zinc/21/56/81/776215681.db2.gz ZDUKXBVEDLYAGD-UHFFFAOYSA-N 1 2 270.293 -1.487 20 0 CAADLO Cc1ncoc1C(=O)N[C@H]1CC[N@H+](CC(N)=O)C[C@@H]1O ZINC001090175433 776215793 /nfs/dbraw/zinc/21/57/93/776215793.db2.gz SWUBGDDFEYHIKR-IUCAKERBSA-N 1 2 282.300 -1.367 20 0 CAADLO Cc1ncoc1C(=O)N[C@H]1CC[N@@H+](CC(N)=O)C[C@@H]1O ZINC001090175433 776215798 /nfs/dbraw/zinc/21/57/98/776215798.db2.gz SWUBGDDFEYHIKR-IUCAKERBSA-N 1 2 282.300 -1.367 20 0 CAADLO CCc1nnc(C[NH2+]CCNC(=O)CNC(=O)NC)o1 ZINC001128790078 776215956 /nfs/dbraw/zinc/21/59/56/776215956.db2.gz PBBADBZZUSBZAK-UHFFFAOYSA-N 1 2 284.320 -1.233 20 0 CAADLO Cc1[nH]ccc1C(=O)N[C@@H]1CC[N@H+](CC(N)=O)C[C@H]1O ZINC001090175921 776215967 /nfs/dbraw/zinc/21/59/67/776215967.db2.gz VVQKUGHZLDSTIX-GHMZBOCLSA-N 1 2 280.328 -1.027 20 0 CAADLO Cc1[nH]ccc1C(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C[C@H]1O ZINC001090175921 776215972 /nfs/dbraw/zinc/21/59/72/776215972.db2.gz VVQKUGHZLDSTIX-GHMZBOCLSA-N 1 2 280.328 -1.027 20 0 CAADLO Cc1[nH]ccc1C(=O)N[C@H]1CC[N@H+](CC(N)=O)C[C@H]1O ZINC001090175927 776216108 /nfs/dbraw/zinc/21/61/08/776216108.db2.gz VVQKUGHZLDSTIX-WDEREUQCSA-N 1 2 280.328 -1.027 20 0 CAADLO Cc1[nH]ccc1C(=O)N[C@H]1CC[N@@H+](CC(N)=O)C[C@H]1O ZINC001090175927 776216115 /nfs/dbraw/zinc/21/61/15/776216115.db2.gz VVQKUGHZLDSTIX-WDEREUQCSA-N 1 2 280.328 -1.027 20 0 CAADLO CNC(=O)NCC(=O)NCC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001128789787 776216675 /nfs/dbraw/zinc/21/66/75/776216675.db2.gz LZCBXYIXFPUDMJ-UHFFFAOYSA-N 1 2 285.308 -2.757 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cc[nH]c(=O)c2)[C@H](O)C1 ZINC001090182558 776217982 /nfs/dbraw/zinc/21/79/82/776217982.db2.gz MEENOHUNCBBSPH-NXEZZACHSA-N 1 2 294.311 -1.563 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cc[nH]c(=O)c2)[C@H](O)C1 ZINC001090182558 776217987 /nfs/dbraw/zinc/21/79/87/776217987.db2.gz MEENOHUNCBBSPH-NXEZZACHSA-N 1 2 294.311 -1.563 20 0 CAADLO Cn1cnc(C(=O)N[C@@H]2CC[N@H+](CC(N)=O)C[C@H]2O)c1 ZINC001090190677 776218295 /nfs/dbraw/zinc/21/82/95/776218295.db2.gz ZFXSORARMQRCEZ-PSASIEDQSA-N 1 2 281.316 -1.930 20 0 CAADLO Cn1cnc(C(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C[C@H]2O)c1 ZINC001090190677 776218306 /nfs/dbraw/zinc/21/83/06/776218306.db2.gz ZFXSORARMQRCEZ-PSASIEDQSA-N 1 2 281.316 -1.930 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cc[nH]c(=O)c2)[C@H](O)C1 ZINC001090182560 776218716 /nfs/dbraw/zinc/21/87/16/776218716.db2.gz MEENOHUNCBBSPH-VHSXEESVSA-N 1 2 294.311 -1.563 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)c2cc[nH]c(=O)c2)[C@H](O)C1 ZINC001090182560 776218717 /nfs/dbraw/zinc/21/87/17/776218717.db2.gz MEENOHUNCBBSPH-VHSXEESVSA-N 1 2 294.311 -1.563 20 0 CAADLO Cc1cc(CC(=O)N[C@@H]2CC[N@H+](CC(N)=O)C[C@@H]2O)n[nH]1 ZINC001090187082 776219031 /nfs/dbraw/zinc/21/90/31/776219031.db2.gz VLMIYTSYPKXRDW-MNOVXSKESA-N 1 2 295.343 -1.703 20 0 CAADLO Cc1cc(CC(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C[C@@H]2O)n[nH]1 ZINC001090187082 776219037 /nfs/dbraw/zinc/21/90/37/776219037.db2.gz VLMIYTSYPKXRDW-MNOVXSKESA-N 1 2 295.343 -1.703 20 0 CAADLO Cc1cc(CC(=O)N[C@@H]2CC[N@H+](CC(N)=O)C[C@@H]2O)[nH]n1 ZINC001090187082 776219043 /nfs/dbraw/zinc/21/90/43/776219043.db2.gz VLMIYTSYPKXRDW-MNOVXSKESA-N 1 2 295.343 -1.703 20 0 CAADLO Cc1cc(CC(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C[C@@H]2O)[nH]n1 ZINC001090187082 776219051 /nfs/dbraw/zinc/21/90/51/776219051.db2.gz VLMIYTSYPKXRDW-MNOVXSKESA-N 1 2 295.343 -1.703 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cc[nH]c(=O)c2)[C@@H](O)C1 ZINC001090182561 776219110 /nfs/dbraw/zinc/21/91/10/776219110.db2.gz MEENOHUNCBBSPH-ZJUUUORDSA-N 1 2 294.311 -1.563 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cc[nH]c(=O)c2)[C@@H](O)C1 ZINC001090182561 776219120 /nfs/dbraw/zinc/21/91/20/776219120.db2.gz MEENOHUNCBBSPH-ZJUUUORDSA-N 1 2 294.311 -1.563 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cn(C)cn2)[C@H](O)C1 ZINC001090189201 776219472 /nfs/dbraw/zinc/21/94/72/776219472.db2.gz IUWIODSIWSRGMO-GXSJLCMTSA-N 1 2 295.343 -1.669 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cn(C)cn2)[C@H](O)C1 ZINC001090189201 776219476 /nfs/dbraw/zinc/21/94/76/776219476.db2.gz IUWIODSIWSRGMO-GXSJLCMTSA-N 1 2 295.343 -1.669 20 0 CAADLO Cn1cnc(C(=O)N[C@@H]2CC[N@H+](CC(N)=O)C[C@@H]2O)c1 ZINC001090190678 776219710 /nfs/dbraw/zinc/21/97/10/776219710.db2.gz ZFXSORARMQRCEZ-SCZZXKLOSA-N 1 2 281.316 -1.930 20 0 CAADLO Cn1cnc(C(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C[C@@H]2O)c1 ZINC001090190678 776219719 /nfs/dbraw/zinc/21/97/19/776219719.db2.gz ZFXSORARMQRCEZ-SCZZXKLOSA-N 1 2 281.316 -1.930 20 0 CAADLO Cn1ccc(C(=O)N[C@H]2CC[N@H+](CC(N)=O)C[C@H]2O)c1 ZINC001090195652 776220785 /nfs/dbraw/zinc/22/07/85/776220785.db2.gz WQMFSFLARCYTNU-WDEREUQCSA-N 1 2 280.328 -1.325 20 0 CAADLO Cn1ccc(C(=O)N[C@H]2CC[N@@H+](CC(N)=O)C[C@H]2O)c1 ZINC001090195652 776220795 /nfs/dbraw/zinc/22/07/95/776220795.db2.gz WQMFSFLARCYTNU-WDEREUQCSA-N 1 2 280.328 -1.325 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)CN2CN=NC2=O)[C@H](O)C1 ZINC001090198111 776221025 /nfs/dbraw/zinc/22/10/25/776221025.db2.gz UTCQPWBLMULLFR-HTQZYQBOSA-N 1 2 298.303 -2.980 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)CN2CN=NC2=O)[C@H](O)C1 ZINC001090198111 776221031 /nfs/dbraw/zinc/22/10/31/776221031.db2.gz UTCQPWBLMULLFR-HTQZYQBOSA-N 1 2 298.303 -2.980 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)CN2CN=NC2=O)[C@@H](O)C1 ZINC001090198114 776221646 /nfs/dbraw/zinc/22/16/46/776221646.db2.gz UTCQPWBLMULLFR-YUMQZZPRSA-N 1 2 298.303 -2.980 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)CN2CN=NC2=O)[C@@H](O)C1 ZINC001090198114 776221650 /nfs/dbraw/zinc/22/16/50/776221650.db2.gz UTCQPWBLMULLFR-YUMQZZPRSA-N 1 2 298.303 -2.980 20 0 CAADLO Cc1cc(C(=O)N[C@H]2CC[N@H+](CC(N)=O)C[C@@H]2O)ncn1 ZINC001090201160 776223213 /nfs/dbraw/zinc/22/32/13/776223213.db2.gz QKIKDFASLSPHHG-ONGXEEELSA-N 1 2 293.327 -1.565 20 0 CAADLO Cc1cc(C(=O)N[C@H]2CC[N@@H+](CC(N)=O)C[C@@H]2O)ncn1 ZINC001090201160 776223215 /nfs/dbraw/zinc/22/32/15/776223215.db2.gz QKIKDFASLSPHHG-ONGXEEELSA-N 1 2 293.327 -1.565 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2coc(C)n2)[C@@H](O)C1 ZINC001090207994 776224676 /nfs/dbraw/zinc/22/46/76/776224676.db2.gz ZMBVZEYMVBVTCT-ONGXEEELSA-N 1 2 296.327 -1.106 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)c2coc(C)n2)[C@@H](O)C1 ZINC001090207994 776224685 /nfs/dbraw/zinc/22/46/85/776224685.db2.gz ZMBVZEYMVBVTCT-ONGXEEELSA-N 1 2 296.327 -1.106 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2coc(C)n2)[C@H](O)C1 ZINC001090207992 776224707 /nfs/dbraw/zinc/22/47/07/776224707.db2.gz ZMBVZEYMVBVTCT-MWLCHTKSSA-N 1 2 296.327 -1.106 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2coc(C)n2)[C@H](O)C1 ZINC001090207992 776224710 /nfs/dbraw/zinc/22/47/10/776224710.db2.gz ZMBVZEYMVBVTCT-MWLCHTKSSA-N 1 2 296.327 -1.106 20 0 CAADLO COc1cc(C(=O)N[C@@H]2CC[N@H+](CC(N)=O)C[C@H]2O)on1 ZINC001090206843 776225001 /nfs/dbraw/zinc/22/50/01/776225001.db2.gz RAPBOZCDTVCDDY-HTQZYQBOSA-N 1 2 298.299 -1.667 20 0 CAADLO COc1cc(C(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C[C@H]2O)on1 ZINC001090206843 776225010 /nfs/dbraw/zinc/22/50/10/776225010.db2.gz RAPBOZCDTVCDDY-HTQZYQBOSA-N 1 2 298.299 -1.667 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2coc(C)n2)[C@H](O)C1 ZINC001090207989 776225080 /nfs/dbraw/zinc/22/50/80/776225080.db2.gz ZMBVZEYMVBVTCT-GXSJLCMTSA-N 1 2 296.327 -1.106 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)c2coc(C)n2)[C@H](O)C1 ZINC001090207989 776225084 /nfs/dbraw/zinc/22/50/84/776225084.db2.gz ZMBVZEYMVBVTCT-GXSJLCMTSA-N 1 2 296.327 -1.106 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)c2ccc(F)cn2)[C@@H](O)C1 ZINC001090210231 776225418 /nfs/dbraw/zinc/22/54/18/776225418.db2.gz MAJKUMGAKIIVLB-ONGXEEELSA-N 1 2 296.302 -1.129 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)c2ccc(F)cn2)[C@@H](O)C1 ZINC001090210231 776225422 /nfs/dbraw/zinc/22/54/22/776225422.db2.gz MAJKUMGAKIIVLB-ONGXEEELSA-N 1 2 296.302 -1.129 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cncnc2)[C@H](O)C1 ZINC001090208832 776225659 /nfs/dbraw/zinc/22/56/59/776225659.db2.gz FQJZOJUELVAEDN-NXEZZACHSA-N 1 2 279.300 -1.873 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cncnc2)[C@H](O)C1 ZINC001090208832 776225666 /nfs/dbraw/zinc/22/56/66/776225666.db2.gz FQJZOJUELVAEDN-NXEZZACHSA-N 1 2 279.300 -1.873 20 0 CAADLO CC(=O)N1CC(C(=O)N[C@@H]2CC[N@H+](CC(N)=O)C[C@@H]2O)C1 ZINC001090217489 776226905 /nfs/dbraw/zinc/22/69/05/776226905.db2.gz BURKVAUKHDYKIK-MNOVXSKESA-N 1 2 298.343 -2.499 20 0 CAADLO CC(=O)N1CC(C(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C[C@@H]2O)C1 ZINC001090217489 776226909 /nfs/dbraw/zinc/22/69/09/776226909.db2.gz BURKVAUKHDYKIK-MNOVXSKESA-N 1 2 298.343 -2.499 20 0 CAADLO Cn1ncc(C(=O)N[C@H]2CC[N@H+](CC(N)=O)C[C@@H]2O)c1N ZINC001090215650 776226975 /nfs/dbraw/zinc/22/69/75/776226975.db2.gz HVHBFPKEXNRKOX-IUCAKERBSA-N 1 2 296.331 -2.347 20 0 CAADLO Cn1ncc(C(=O)N[C@H]2CC[N@@H+](CC(N)=O)C[C@@H]2O)c1N ZINC001090215650 776226980 /nfs/dbraw/zinc/22/69/80/776226980.db2.gz HVHBFPKEXNRKOX-IUCAKERBSA-N 1 2 296.331 -2.347 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cc2ccoc2)[C@H](O)C1 ZINC001090213602 776227031 /nfs/dbraw/zinc/22/70/31/776227031.db2.gz NBQYHOVZNCYFGB-GHMZBOCLSA-N 1 2 281.312 -1.141 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)Cc2ccoc2)[C@H](O)C1 ZINC001090213602 776227038 /nfs/dbraw/zinc/22/70/38/776227038.db2.gz NBQYHOVZNCYFGB-GHMZBOCLSA-N 1 2 281.312 -1.141 20 0 CAADLO Cc1ccn(C)c1C(=O)N[C@H]1CC[N@H+](CC(N)=O)C[C@@H]1O ZINC001090218337 776227549 /nfs/dbraw/zinc/22/75/49/776227549.db2.gz HENVYPVMWZIPJL-QWRGUYRKSA-N 1 2 294.355 -1.016 20 0 CAADLO Cc1ccn(C)c1C(=O)N[C@H]1CC[N@@H+](CC(N)=O)C[C@@H]1O ZINC001090218337 776227555 /nfs/dbraw/zinc/22/75/55/776227555.db2.gz HENVYPVMWZIPJL-QWRGUYRKSA-N 1 2 294.355 -1.016 20 0 CAADLO CC(=O)N1CC(C(=O)N[C@H]2CC[N@H+](CC(N)=O)C[C@H]2O)C1 ZINC001090217492 776227632 /nfs/dbraw/zinc/22/76/32/776227632.db2.gz BURKVAUKHDYKIK-WDEREUQCSA-N 1 2 298.343 -2.499 20 0 CAADLO CC(=O)N1CC(C(=O)N[C@H]2CC[N@@H+](CC(N)=O)C[C@H]2O)C1 ZINC001090217492 776227641 /nfs/dbraw/zinc/22/76/41/776227641.db2.gz BURKVAUKHDYKIK-WDEREUQCSA-N 1 2 298.343 -2.499 20 0 CAADLO Cn1ncc(C(=O)N[C@@H]2CC[N@H+](CC(N)=O)C[C@@H]2O)c1N ZINC001090215648 776227901 /nfs/dbraw/zinc/22/79/01/776227901.db2.gz HVHBFPKEXNRKOX-BDAKNGLRSA-N 1 2 296.331 -2.347 20 0 CAADLO Cn1ncc(C(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C[C@@H]2O)c1N ZINC001090215648 776227905 /nfs/dbraw/zinc/22/79/05/776227905.db2.gz HVHBFPKEXNRKOX-BDAKNGLRSA-N 1 2 296.331 -2.347 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C2=CCOCC2)[C@H](O)C1 ZINC001090213665 776227931 /nfs/dbraw/zinc/22/79/31/776227931.db2.gz NYTILVMOUHETQM-VXGBXAGGSA-N 1 2 297.355 -1.370 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)C2=CCOCC2)[C@H](O)C1 ZINC001090213665 776227937 /nfs/dbraw/zinc/22/79/37/776227937.db2.gz NYTILVMOUHETQM-VXGBXAGGSA-N 1 2 297.355 -1.370 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cn(C)nn2)[C@@H](O)C1 ZINC001090225119 776229461 /nfs/dbraw/zinc/22/94/61/776229461.db2.gz LMNJOMOJMRJCJO-WPRPVWTQSA-N 1 2 296.331 -2.274 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cn(C)nn2)[C@@H](O)C1 ZINC001090225119 776229466 /nfs/dbraw/zinc/22/94/66/776229466.db2.gz LMNJOMOJMRJCJO-WPRPVWTQSA-N 1 2 296.331 -2.274 20 0 CAADLO Cn1nccc1CC(=O)N[C@H]1CC[N@H+](CC(N)=O)C[C@@H]1O ZINC001090227165 776230354 /nfs/dbraw/zinc/23/03/54/776230354.db2.gz IRYKDTZMSLEGCF-QWRGUYRKSA-N 1 2 295.343 -2.001 20 0 CAADLO Cn1nccc1CC(=O)N[C@H]1CC[N@@H+](CC(N)=O)C[C@@H]1O ZINC001090227165 776230359 /nfs/dbraw/zinc/23/03/59/776230359.db2.gz IRYKDTZMSLEGCF-QWRGUYRKSA-N 1 2 295.343 -2.001 20 0 CAADLO Cn1oc(C(=O)N[C@@H]2CC[N@H+](CC(N)=O)C[C@H]2O)cc1=O ZINC001090226380 776230753 /nfs/dbraw/zinc/23/07/53/776230753.db2.gz UZMFLGDWSIYTJB-HTQZYQBOSA-N 1 2 298.299 -2.371 20 0 CAADLO Cn1oc(C(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C[C@H]2O)cc1=O ZINC001090226380 776230756 /nfs/dbraw/zinc/23/07/56/776230756.db2.gz UZMFLGDWSIYTJB-HTQZYQBOSA-N 1 2 298.299 -2.371 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)CCn2cncn2)[C@@H](O)C1 ZINC001099677953 776232491 /nfs/dbraw/zinc/23/24/91/776232491.db2.gz DCERUQRYXNJTAZ-UWVGGRQHSA-N 1 2 296.331 -2.295 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)CCn2cncn2)[C@@H](O)C1 ZINC001099677953 776232495 /nfs/dbraw/zinc/23/24/95/776232495.db2.gz DCERUQRYXNJTAZ-UWVGGRQHSA-N 1 2 296.331 -2.295 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)Cc2cncnc2)[C@H](O)C1 ZINC001090232222 776232617 /nfs/dbraw/zinc/23/26/17/776232617.db2.gz UGLHXSCYOYMXKQ-WDEREUQCSA-N 1 2 293.327 -1.944 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)Cc2cncnc2)[C@H](O)C1 ZINC001090232222 776232622 /nfs/dbraw/zinc/23/26/22/776232622.db2.gz UGLHXSCYOYMXKQ-WDEREUQCSA-N 1 2 293.327 -1.944 20 0 CAADLO Cn1nnc(C(=O)NC[C@]2(C)C[N@H+](CCO)CCO2)n1 ZINC001108138006 776232987 /nfs/dbraw/zinc/23/29/87/776232987.db2.gz FXJUBMPEXRHDPP-LLVKDONJSA-N 1 2 284.320 -1.977 20 0 CAADLO Cn1nnc(C(=O)NC[C@]2(C)C[N@@H+](CCO)CCO2)n1 ZINC001108138006 776232991 /nfs/dbraw/zinc/23/29/91/776232991.db2.gz FXJUBMPEXRHDPP-LLVKDONJSA-N 1 2 284.320 -1.977 20 0 CAADLO Cn1cc(C(=O)N[C@H]2CC[N@H+](CC(N)=O)C[C@H]2O)nn1 ZINC001090227746 776233035 /nfs/dbraw/zinc/23/30/35/776233035.db2.gz NWUCHANFNZHIPN-IONNQARKSA-N 1 2 282.304 -2.535 20 0 CAADLO Cn1cc(C(=O)N[C@H]2CC[N@@H+](CC(N)=O)C[C@H]2O)nn1 ZINC001090227746 776233039 /nfs/dbraw/zinc/23/30/39/776233039.db2.gz NWUCHANFNZHIPN-IONNQARKSA-N 1 2 282.304 -2.535 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cc2cncnc2)[C@H](O)C1 ZINC001090232219 776233176 /nfs/dbraw/zinc/23/31/76/776233176.db2.gz UGLHXSCYOYMXKQ-GHMZBOCLSA-N 1 2 293.327 -1.944 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)Cc2cncnc2)[C@H](O)C1 ZINC001090232219 776233182 /nfs/dbraw/zinc/23/31/82/776233182.db2.gz UGLHXSCYOYMXKQ-GHMZBOCLSA-N 1 2 293.327 -1.944 20 0 CAADLO Cn1nncc1C(=O)N[C@H]1CC[N@H+](CCF)C[C@@H]1O ZINC001090237364 776233754 /nfs/dbraw/zinc/23/37/54/776233754.db2.gz NZLBIGXQOUJMEL-WPRPVWTQSA-N 1 2 271.296 -1.050 20 0 CAADLO Cn1nncc1C(=O)N[C@H]1CC[N@@H+](CCF)C[C@@H]1O ZINC001090237364 776233759 /nfs/dbraw/zinc/23/37/59/776233759.db2.gz NZLBIGXQOUJMEL-WPRPVWTQSA-N 1 2 271.296 -1.050 20 0 CAADLO Cc1nnc(CC(=O)N[C@@H]2CC[N@H+](CC(N)=O)C[C@H]2O)o1 ZINC001090240322 776234149 /nfs/dbraw/zinc/23/41/49/776234149.db2.gz INDRPAUVJXPOLP-RKDXNWHRSA-N 1 2 297.315 -2.043 20 0 CAADLO Cc1nnc(CC(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C[C@H]2O)o1 ZINC001090240322 776234151 /nfs/dbraw/zinc/23/41/51/776234151.db2.gz INDRPAUVJXPOLP-RKDXNWHRSA-N 1 2 297.315 -2.043 20 0 CAADLO Cn1nncc1C(=O)N[C@H]1CC[N@H+](CCF)C[C@H]1O ZINC001090237363 776234258 /nfs/dbraw/zinc/23/42/58/776234258.db2.gz NZLBIGXQOUJMEL-WCBMZHEXSA-N 1 2 271.296 -1.050 20 0 CAADLO Cn1nncc1C(=O)N[C@H]1CC[N@@H+](CCF)C[C@H]1O ZINC001090237363 776234261 /nfs/dbraw/zinc/23/42/61/776234261.db2.gz NZLBIGXQOUJMEL-WCBMZHEXSA-N 1 2 271.296 -1.050 20 0 CAADLO Cc1cc[nH]c1C(=O)N[C@H]1CC[N@H+](CC(N)=O)C[C@H]1O ZINC001090238375 776234296 /nfs/dbraw/zinc/23/42/96/776234296.db2.gz XTBCIGGBWFTHKG-VHSXEESVSA-N 1 2 280.328 -1.027 20 0 CAADLO Cc1cc[nH]c1C(=O)N[C@H]1CC[N@@H+](CC(N)=O)C[C@H]1O ZINC001090238375 776234297 /nfs/dbraw/zinc/23/42/97/776234297.db2.gz XTBCIGGBWFTHKG-VHSXEESVSA-N 1 2 280.328 -1.027 20 0 CAADLO Cc1cc[nH]c1C(=O)N[C@@H]1CC[N@H+](CC(N)=O)C[C@@H]1O ZINC001090238376 776234454 /nfs/dbraw/zinc/23/44/54/776234454.db2.gz XTBCIGGBWFTHKG-ZJUUUORDSA-N 1 2 280.328 -1.027 20 0 CAADLO Cc1cc[nH]c1C(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C[C@@H]1O ZINC001090238376 776234457 /nfs/dbraw/zinc/23/44/57/776234457.db2.gz XTBCIGGBWFTHKG-ZJUUUORDSA-N 1 2 280.328 -1.027 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cnnn2C)[C@H](O)C1 ZINC001090237277 776234513 /nfs/dbraw/zinc/23/45/13/776234513.db2.gz MVUSMAIBIGTPQE-PSASIEDQSA-N 1 2 296.331 -2.274 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cnnn2C)[C@H](O)C1 ZINC001090237277 776234515 /nfs/dbraw/zinc/23/45/15/776234515.db2.gz MVUSMAIBIGTPQE-PSASIEDQSA-N 1 2 296.331 -2.274 20 0 CAADLO CCn1ccnc1C(=O)N[C@@H]1CC[N@H+](CC(N)=O)C[C@@H]1O ZINC001090233803 776234720 /nfs/dbraw/zinc/23/47/20/776234720.db2.gz KIFBEJJPLVTZJE-ZJUUUORDSA-N 1 2 295.343 -1.447 20 0 CAADLO CCn1ccnc1C(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C[C@@H]1O ZINC001090233803 776234727 /nfs/dbraw/zinc/23/47/27/776234727.db2.gz KIFBEJJPLVTZJE-ZJUUUORDSA-N 1 2 295.343 -1.447 20 0 CAADLO Cn1nncc1C(=O)N[C@@H]1CC[N@H+](CC(N)=O)C[C@H]1O ZINC001090241395 776235850 /nfs/dbraw/zinc/23/58/50/776235850.db2.gz SBGXWTOASGVQEF-VXNVDRBHSA-N 1 2 282.304 -2.535 20 0 CAADLO Cn1nncc1C(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C[C@H]1O ZINC001090241395 776235853 /nfs/dbraw/zinc/23/58/53/776235853.db2.gz SBGXWTOASGVQEF-VXNVDRBHSA-N 1 2 282.304 -2.535 20 0 CAADLO CCn1ncc(C(=O)N[C@H]2CC[N@H+](CC(N)=O)C[C@@H]2O)n1 ZINC001090245060 776235886 /nfs/dbraw/zinc/23/58/86/776235886.db2.gz YIUQAJNZLABFKR-WPRPVWTQSA-N 1 2 296.331 -2.052 20 0 CAADLO CCn1ncc(C(=O)N[C@H]2CC[N@@H+](CC(N)=O)C[C@@H]2O)n1 ZINC001090245060 776235889 /nfs/dbraw/zinc/23/58/89/776235889.db2.gz YIUQAJNZLABFKR-WPRPVWTQSA-N 1 2 296.331 -2.052 20 0 CAADLO CCn1ncc(C(=O)N[C@@H]2CC[N@H+](CC(N)=O)C[C@@H]2O)n1 ZINC001090245058 776235967 /nfs/dbraw/zinc/23/59/67/776235967.db2.gz YIUQAJNZLABFKR-SCZZXKLOSA-N 1 2 296.331 -2.052 20 0 CAADLO CCn1ncc(C(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C[C@@H]2O)n1 ZINC001090245058 776235972 /nfs/dbraw/zinc/23/59/72/776235972.db2.gz YIUQAJNZLABFKR-SCZZXKLOSA-N 1 2 296.331 -2.052 20 0 CAADLO Cn1cnc(C(=O)N[C@H]2CC[N@H+](CCF)C[C@@H]2O)n1 ZINC001090247529 776236837 /nfs/dbraw/zinc/23/68/37/776236837.db2.gz XAHUHXDHTAAENO-IUCAKERBSA-N 1 2 271.296 -1.050 20 0 CAADLO Cn1cnc(C(=O)N[C@H]2CC[N@@H+](CCF)C[C@@H]2O)n1 ZINC001090247529 776236842 /nfs/dbraw/zinc/23/68/42/776236842.db2.gz XAHUHXDHTAAENO-IUCAKERBSA-N 1 2 271.296 -1.050 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ncc[nH]2)[C@@H](O)C1 ZINC001090250810 776237769 /nfs/dbraw/zinc/23/77/69/776237769.db2.gz FWNQQMXYVAHSNQ-SFYZADRCSA-N 1 2 267.289 -1.940 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)c2ncc[nH]2)[C@@H](O)C1 ZINC001090250810 776237782 /nfs/dbraw/zinc/23/77/82/776237782.db2.gz FWNQQMXYVAHSNQ-SFYZADRCSA-N 1 2 267.289 -1.940 20 0 CAADLO Cc1nnc(CC(=O)N[C@@H]2CC[N@H+](CC(N)=O)C[C@@H]2O)[nH]1 ZINC001090255620 776237987 /nfs/dbraw/zinc/23/79/87/776237987.db2.gz GNVOKCCBZAVJEM-BDAKNGLRSA-N 1 2 296.331 -2.308 20 0 CAADLO Cc1nnc(CC(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C[C@@H]2O)[nH]1 ZINC001090255620 776237996 /nfs/dbraw/zinc/23/79/96/776237996.db2.gz GNVOKCCBZAVJEM-BDAKNGLRSA-N 1 2 296.331 -2.308 20 0 CAADLO NC(=O)C(=O)NC[C@@H]1COCCN1C(=O)Cn1cc[nH+]c1 ZINC001061836449 776240234 /nfs/dbraw/zinc/24/02/34/776240234.db2.gz NUXZWXJEQQMZSB-SECBINFHSA-N 1 2 295.299 -2.288 20 0 CAADLO NC(=O)C(=O)NC[C@H]1COCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001061844956 776244620 /nfs/dbraw/zinc/24/46/20/776244620.db2.gz ZYXDLEWQVVUVMZ-VIFPVBQESA-N 1 2 295.299 -2.219 20 0 CAADLO COCC(=O)N1CCOC[C@H]1CNC(=O)Cc1c[nH]c[nH+]1 ZINC001061928490 776245903 /nfs/dbraw/zinc/24/59/03/776245903.db2.gz BZIFPOXIWWMRII-LLVKDONJSA-N 1 2 296.327 -1.058 20 0 CAADLO COCC(=O)N1CCOC[C@@H]1CNC(=O)Cc1c[nH]c[nH+]1 ZINC001061928491 776246019 /nfs/dbraw/zinc/24/60/19/776246019.db2.gz BZIFPOXIWWMRII-NSHDSACASA-N 1 2 296.327 -1.058 20 0 CAADLO NC(=O)c1c[nH]c2ncnc(-n3[nH]c(=O)nc3C[NH3+])c12 ZINC001168760392 776246482 /nfs/dbraw/zinc/24/64/82/776246482.db2.gz JOZUZKMSNMCKDV-UHFFFAOYSA-N 1 2 274.244 -1.198 20 0 CAADLO CN(C)C(=O)c1ccc(-n2[nH]c(=O)nc2C[NH3+])nn1 ZINC001168760420 776247491 /nfs/dbraw/zinc/24/74/91/776247491.db2.gz LIBZGUMOXFADFK-UHFFFAOYSA-N 1 2 263.261 -1.077 20 0 CAADLO COC(=O)Cc1ccnc(-n2[nH]c(=O)nc2C[NH3+])n1 ZINC001168761050 776247917 /nfs/dbraw/zinc/24/79/17/776247917.db2.gz XBYYQPJDROVOMD-UHFFFAOYSA-N 1 2 264.245 -1.063 20 0 CAADLO NC(=O)C(=O)N1CCCC[C@@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001062331890 776250894 /nfs/dbraw/zinc/25/08/94/776250894.db2.gz JJEVRHKEBQEHOT-SNVBAGLBSA-N 1 2 293.327 -1.134 20 0 CAADLO NC(=O)C(=O)N1CCCC[C@@H]1CNC(=O)Cc1[nH]cc[nH+]1 ZINC001062330982 776251469 /nfs/dbraw/zinc/25/14/69/776251469.db2.gz WOGPEBYXJLHRRL-SECBINFHSA-N 1 2 293.327 -1.065 20 0 CAADLO Cc1cn(C)nc1C(=O)N[C@H]1CC[N@H+](CC(N)=O)C[C@@H]1O ZINC001090260599 776253483 /nfs/dbraw/zinc/25/34/83/776253483.db2.gz IHEBATYAFUIWSB-UWVGGRQHSA-N 1 2 295.343 -1.621 20 0 CAADLO Cc1cn(C)nc1C(=O)N[C@H]1CC[N@@H+](CC(N)=O)C[C@@H]1O ZINC001090260599 776253486 /nfs/dbraw/zinc/25/34/86/776253486.db2.gz IHEBATYAFUIWSB-UWVGGRQHSA-N 1 2 295.343 -1.621 20 0 CAADLO Cc1ccc(C(=O)N[C@H]2CC[N@H+](CC(N)=O)C[C@@H]2O)nn1 ZINC001090259318 776253731 /nfs/dbraw/zinc/25/37/31/776253731.db2.gz TXDDAMIWNTYOIY-ONGXEEELSA-N 1 2 293.327 -1.565 20 0 CAADLO Cc1ccc(C(=O)N[C@H]2CC[N@@H+](CC(N)=O)C[C@@H]2O)nn1 ZINC001090259318 776253735 /nfs/dbraw/zinc/25/37/35/776253735.db2.gz TXDDAMIWNTYOIY-ONGXEEELSA-N 1 2 293.327 -1.565 20 0 CAADLO Cn1ccc(CC(=O)N[C@H]2CC[N@H+](CC(N)=O)C[C@H]2O)n1 ZINC001090260651 776253862 /nfs/dbraw/zinc/25/38/62/776253862.db2.gz IWGXJDOMKLSRNM-WDEREUQCSA-N 1 2 295.343 -2.001 20 0 CAADLO Cn1ccc(CC(=O)N[C@H]2CC[N@@H+](CC(N)=O)C[C@H]2O)n1 ZINC001090260651 776253868 /nfs/dbraw/zinc/25/38/68/776253868.db2.gz IWGXJDOMKLSRNM-WDEREUQCSA-N 1 2 295.343 -2.001 20 0 CAADLO O=C(N[C@@H]1C[N@@H+](CC2CC2)C[C@@H]1O)c1nc[nH]n1 ZINC001083873558 776256323 /nfs/dbraw/zinc/25/63/23/776256323.db2.gz FXPDCFZKSCTRHW-BDAKNGLRSA-N 1 2 251.290 -1.010 20 0 CAADLO O=C(N[C@@H]1C[N@H+](CC2CC2)C[C@@H]1O)c1nc[nH]n1 ZINC001083873558 776256329 /nfs/dbraw/zinc/25/63/29/776256329.db2.gz FXPDCFZKSCTRHW-BDAKNGLRSA-N 1 2 251.290 -1.010 20 0 CAADLO CO[C@H](C)C[N@@H+]1C[C@@H](NC(=O)c2ncn[nH]2)[C@@H](O)C1 ZINC001083873583 776256563 /nfs/dbraw/zinc/25/65/63/776256563.db2.gz GTTHGJXSVIHMRU-HLTSFMKQSA-N 1 2 269.305 -1.386 20 0 CAADLO CO[C@H](C)C[N@H+]1C[C@@H](NC(=O)c2nc[nH]n2)[C@@H](O)C1 ZINC001083873583 776256572 /nfs/dbraw/zinc/25/65/72/776256572.db2.gz GTTHGJXSVIHMRU-HLTSFMKQSA-N 1 2 269.305 -1.386 20 0 CAADLO CO[C@H](C)C[N@@H+]1C[C@@H](NC(=O)c2nc[nH]n2)[C@@H](O)C1 ZINC001083873583 776256583 /nfs/dbraw/zinc/25/65/83/776256583.db2.gz GTTHGJXSVIHMRU-HLTSFMKQSA-N 1 2 269.305 -1.386 20 0 CAADLO C[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)c2ncn[nH]2)[C@@H](O)C1 ZINC001083873995 776258047 /nfs/dbraw/zinc/25/80/47/776258047.db2.gz ZQIJCMTTZLUQSI-PRJMDXOYSA-N 1 2 255.278 -2.040 20 0 CAADLO C[C@@H](O)C[N@H+]1C[C@@H](NC(=O)c2ncn[nH]2)[C@@H](O)C1 ZINC001083873995 776258039 /nfs/dbraw/zinc/25/80/39/776258039.db2.gz ZQIJCMTTZLUQSI-PRJMDXOYSA-N 1 2 255.278 -2.040 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cn2ncnn2)[C@@H](O)C1 ZINC001090268099 776259852 /nfs/dbraw/zinc/25/98/52/776259852.db2.gz GRSCLOCFHRBHLE-BDAKNGLRSA-N 1 2 297.319 -3.030 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)Cn2ncnn2)[C@@H](O)C1 ZINC001090268099 776259858 /nfs/dbraw/zinc/25/98/58/776259858.db2.gz GRSCLOCFHRBHLE-BDAKNGLRSA-N 1 2 297.319 -3.030 20 0 CAADLO CC(=O)N[C@@H](CC(=O)N1C[C@@H]2OCC[N@@H+](C)[C@H]2C1)C(N)=O ZINC001273173795 776265388 /nfs/dbraw/zinc/26/53/88/776265388.db2.gz CWCCVHZPQJSPFI-DCAQKATOSA-N 1 2 298.343 -2.092 20 0 CAADLO CC(=O)N[C@@H](CC(=O)N1C[C@@H]2OCC[N@H+](C)[C@H]2C1)C(N)=O ZINC001273173795 776265397 /nfs/dbraw/zinc/26/53/97/776265397.db2.gz CWCCVHZPQJSPFI-DCAQKATOSA-N 1 2 298.343 -2.092 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cc[nH]c2)[C@@H](O)C1 ZINC001090278593 776266101 /nfs/dbraw/zinc/26/61/01/776266101.db2.gz DYHIXIRHZWEVJJ-QWRGUYRKSA-N 1 2 280.328 -1.074 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cc[nH]c2)[C@@H](O)C1 ZINC001090278593 776266105 /nfs/dbraw/zinc/26/61/05/776266105.db2.gz DYHIXIRHZWEVJJ-QWRGUYRKSA-N 1 2 280.328 -1.074 20 0 CAADLO NC(=O)CC(=O)NCC1(NC(=O)Cc2c[nH]c[nH+]2)CCC1 ZINC001062735639 776267269 /nfs/dbraw/zinc/26/72/69/776267269.db2.gz LWHZTOFQBJNPMN-UHFFFAOYSA-N 1 2 293.327 -1.017 20 0 CAADLO CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)c1cnnn1C ZINC001118197099 776267818 /nfs/dbraw/zinc/26/78/18/776267818.db2.gz NPTKAQOSWQHXFQ-VIFPVBQESA-N 1 2 267.289 -1.208 20 0 CAADLO C[C@H](CNC(=O)CCc1c[nH]c[nH+]1)N(C)C(=O)C(N)=O ZINC001280504192 776268649 /nfs/dbraw/zinc/26/86/49/776268649.db2.gz PODIFQMDTURVPY-MRVPVSSYSA-N 1 2 281.316 -1.209 20 0 CAADLO C[C@H](CNC(=O)CCc1c[nH+]c[nH]1)N(C)C(=O)C(N)=O ZINC001280504192 776268655 /nfs/dbraw/zinc/26/86/55/776268655.db2.gz PODIFQMDTURVPY-MRVPVSSYSA-N 1 2 281.316 -1.209 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cc[nH]c2)[C@H](O)C1 ZINC001090288723 776269052 /nfs/dbraw/zinc/26/90/52/776269052.db2.gz CFBINQBNTPHYQJ-VHSXEESVSA-N 1 2 266.301 -1.335 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)c2cc[nH]c2)[C@H](O)C1 ZINC001090288723 776269059 /nfs/dbraw/zinc/26/90/59/776269059.db2.gz CFBINQBNTPHYQJ-VHSXEESVSA-N 1 2 266.301 -1.335 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cc[nH]c2)[C@@H](O)C1 ZINC001090288724 776269095 /nfs/dbraw/zinc/26/90/95/776269095.db2.gz CFBINQBNTPHYQJ-ZJUUUORDSA-N 1 2 266.301 -1.335 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cc[nH]c2)[C@@H](O)C1 ZINC001090288724 776269102 /nfs/dbraw/zinc/26/91/02/776269102.db2.gz CFBINQBNTPHYQJ-ZJUUUORDSA-N 1 2 266.301 -1.335 20 0 CAADLO CC(C)OCCC(=O)N[C@@H]1CC[N@H+](CC(N)=O)C[C@@H]1O ZINC001099692816 776270307 /nfs/dbraw/zinc/27/03/07/776270307.db2.gz HQLJTPBURPCJMK-MNOVXSKESA-N 1 2 287.360 -1.162 20 0 CAADLO CC(C)OCCC(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C[C@@H]1O ZINC001099692816 776270312 /nfs/dbraw/zinc/27/03/12/776270312.db2.gz HQLJTPBURPCJMK-MNOVXSKESA-N 1 2 287.360 -1.162 20 0 CAADLO NC(=O)C(=O)NC1(CNC(=O)CCc2[nH]cc[nH+]2)CCC1 ZINC001062878291 776271039 /nfs/dbraw/zinc/27/10/39/776271039.db2.gz ARZYXYXICPHTFQ-UHFFFAOYSA-N 1 2 293.327 -1.017 20 0 CAADLO CC[C@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)Cc2ncc[nH]2)[C@@H](O)C1 ZINC001083891881 776271940 /nfs/dbraw/zinc/27/19/40/776271940.db2.gz BBMVXYZSFXNZOI-BBBLOLIVSA-N 1 2 295.343 -1.623 20 0 CAADLO CC[C@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)Cc2ncc[nH]2)[C@@H](O)C1 ZINC001083891881 776271944 /nfs/dbraw/zinc/27/19/44/776271944.db2.gz BBMVXYZSFXNZOI-BBBLOLIVSA-N 1 2 295.343 -1.623 20 0 CAADLO CN(C)C(=O)C[N@H+]1C[C@@H](NC(=O)Cc2ncc[nH]2)[C@@H](O)C1 ZINC001083891352 776272024 /nfs/dbraw/zinc/27/20/24/776272024.db2.gz GYCCXHKNHNIVPR-ZJUUUORDSA-N 1 2 295.343 -1.798 20 0 CAADLO CN(C)C(=O)C[N@@H+]1C[C@@H](NC(=O)Cc2ncc[nH]2)[C@@H](O)C1 ZINC001083891352 776272027 /nfs/dbraw/zinc/27/20/27/776272027.db2.gz GYCCXHKNHNIVPR-ZJUUUORDSA-N 1 2 295.343 -1.798 20 0 CAADLO CC[C@@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)Cc2ncc[nH]2)[C@@H](O)C1 ZINC001083891882 776272057 /nfs/dbraw/zinc/27/20/57/776272057.db2.gz BBMVXYZSFXNZOI-UTLUCORTSA-N 1 2 295.343 -1.623 20 0 CAADLO CC[C@@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)Cc2ncc[nH]2)[C@@H](O)C1 ZINC001083891882 776272062 /nfs/dbraw/zinc/27/20/62/776272062.db2.gz BBMVXYZSFXNZOI-UTLUCORTSA-N 1 2 295.343 -1.623 20 0 CAADLO O=C(Cc1[nH]cc[nH+]1)N[C@@H]1CN(Cc2cnon2)C[C@@H]1O ZINC001083891719 776272097 /nfs/dbraw/zinc/27/20/97/776272097.db2.gz ZSMVJRXKNBZPNE-ZJUUUORDSA-N 1 2 292.299 -1.303 20 0 CAADLO CNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)Cc2ncc[nH]2)[C@@H](O)C1 ZINC001083892250 776274167 /nfs/dbraw/zinc/27/41/67/776274167.db2.gz RUYAOHPZTWKOEG-AEJSXWLSSA-N 1 2 295.343 -1.752 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)Cc2ncc[nH]2)[C@@H](O)C1 ZINC001083892250 776274175 /nfs/dbraw/zinc/27/41/75/776274175.db2.gz RUYAOHPZTWKOEG-AEJSXWLSSA-N 1 2 295.343 -1.752 20 0 CAADLO Cn1[nH]c(C[NH2+]CCNC(=O)C[C@@H]2CCNC2=O)nc1=O ZINC001129298179 776274931 /nfs/dbraw/zinc/27/49/31/776274931.db2.gz QYQRZOCDCJIVSE-QMMMGPOBSA-N 1 2 296.331 -2.160 20 0 CAADLO O=C(C[C@H]1CCNC1=O)NCC[NH2+]Cc1cnon1 ZINC001129298854 776275671 /nfs/dbraw/zinc/27/56/71/776275671.db2.gz YESFALBNWHZDKM-MRVPVSSYSA-N 1 2 267.289 -1.198 20 0 CAADLO Cc1[nH+]c[nH]c1CC(=O)NCC1(NC(=O)C(N)=O)CCC1 ZINC001063863215 776277163 /nfs/dbraw/zinc/27/71/63/776277163.db2.gz AAUZNUCVBBTOMY-UHFFFAOYSA-N 1 2 293.327 -1.099 20 0 CAADLO NC(=O)CC(=O)NC1(CNC(=O)Cc2[nH]cc[nH+]2)CCC1 ZINC001064207275 776278997 /nfs/dbraw/zinc/27/89/97/776278997.db2.gz CYWIZPDKEPYTFV-UHFFFAOYSA-N 1 2 293.327 -1.017 20 0 CAADLO Cc1[nH+]c[nH]c1CC(=O)NC1(CNC(=O)C(N)=O)CCC1 ZINC001064289950 776280541 /nfs/dbraw/zinc/28/05/41/776280541.db2.gz QKQCETLXCRSIBY-UHFFFAOYSA-N 1 2 293.327 -1.099 20 0 CAADLO O=C(N[C@H]1CC[N@@H+](CCO)C[C@H]1O)C1CS(=O)(=O)C1 ZINC001090294558 776285581 /nfs/dbraw/zinc/28/55/81/776285581.db2.gz ZGGQMWOKSVSOFZ-VHSXEESVSA-N 1 2 292.357 -2.425 20 0 CAADLO O=C(N[C@H]1CC[N@H+](CCO)C[C@H]1O)C1CS(=O)(=O)C1 ZINC001090294558 776285585 /nfs/dbraw/zinc/28/55/85/776285585.db2.gz ZGGQMWOKSVSOFZ-VHSXEESVSA-N 1 2 292.357 -2.425 20 0 CAADLO O=C(N[C@H]1CC[N@@H+](CCO)C[C@@H]1O)C1CS(=O)(=O)C1 ZINC001090294556 776285880 /nfs/dbraw/zinc/28/58/80/776285880.db2.gz ZGGQMWOKSVSOFZ-UWVGGRQHSA-N 1 2 292.357 -2.425 20 0 CAADLO O=C(N[C@H]1CC[N@H+](CCO)C[C@@H]1O)C1CS(=O)(=O)C1 ZINC001090294556 776285883 /nfs/dbraw/zinc/28/58/83/776285883.db2.gz ZGGQMWOKSVSOFZ-UWVGGRQHSA-N 1 2 292.357 -2.425 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ccns2)[C@@H](O)C1 ZINC001090304041 776287305 /nfs/dbraw/zinc/28/73/05/776287305.db2.gz PTCRCPUJCXCXOH-SFYZADRCSA-N 1 2 284.341 -1.207 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)c2ccns2)[C@@H](O)C1 ZINC001090304041 776287311 /nfs/dbraw/zinc/28/73/11/776287311.db2.gz PTCRCPUJCXCXOH-SFYZADRCSA-N 1 2 284.341 -1.207 20 0 CAADLO COCC(=O)N1CCO[C@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001064756115 776290580 /nfs/dbraw/zinc/29/05/80/776290580.db2.gz GRZRAYKZEXIZTG-LLVKDONJSA-N 1 2 296.327 -1.127 20 0 CAADLO Cc1ncc(CC(=O)N[C@H]2CC[N@H+](CC(N)=O)C[C@@H]2O)o1 ZINC001090321727 776291261 /nfs/dbraw/zinc/29/12/61/776291261.db2.gz HXWXJPOZKHHRBW-QWRGUYRKSA-N 1 2 296.327 -1.438 20 0 CAADLO Cc1ncc(CC(=O)N[C@H]2CC[N@@H+](CC(N)=O)C[C@@H]2O)o1 ZINC001090321727 776291275 /nfs/dbraw/zinc/29/12/75/776291275.db2.gz HXWXJPOZKHHRBW-QWRGUYRKSA-N 1 2 296.327 -1.438 20 0 CAADLO Cc1ncn(C)c1C(=O)N[C@@H]1CC[N@H+](CC(N)=O)C[C@@H]1O ZINC001090337350 776293965 /nfs/dbraw/zinc/29/39/65/776293965.db2.gz DUIXDAQVSSJYPU-ZJUUUORDSA-N 1 2 295.343 -1.621 20 0 CAADLO Cc1ncn(C)c1C(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C[C@@H]1O ZINC001090337350 776293972 /nfs/dbraw/zinc/29/39/72/776293972.db2.gz DUIXDAQVSSJYPU-ZJUUUORDSA-N 1 2 295.343 -1.621 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cn[nH]c(=O)c2)[C@@H](O)C1 ZINC001090340811 776294370 /nfs/dbraw/zinc/29/43/70/776294370.db2.gz DEGTVPOIJQQMFV-BDAKNGLRSA-N 1 2 295.299 -2.168 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cn[nH]c(=O)c2)[C@@H](O)C1 ZINC001090340811 776294377 /nfs/dbraw/zinc/29/43/77/776294377.db2.gz DEGTVPOIJQQMFV-BDAKNGLRSA-N 1 2 295.299 -2.168 20 0 CAADLO Cc1[nH]c(=O)[nH]c1C(=O)N[C@@H]1CC[N@H+](CC(N)=O)C[C@@H]1O ZINC001090345069 776294509 /nfs/dbraw/zinc/29/45/09/776294509.db2.gz RDUJIEMWRDOLEN-SFYZADRCSA-N 1 2 297.315 -1.926 20 0 CAADLO Cc1[nH]c(=O)[nH]c1C(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C[C@@H]1O ZINC001090345069 776294512 /nfs/dbraw/zinc/29/45/12/776294512.db2.gz RDUJIEMWRDOLEN-SFYZADRCSA-N 1 2 297.315 -1.926 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cn[nH]c(=O)c2)[C@@H](O)C1 ZINC001090340813 776294521 /nfs/dbraw/zinc/29/45/21/776294521.db2.gz DEGTVPOIJQQMFV-IUCAKERBSA-N 1 2 295.299 -2.168 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)c2cn[nH]c(=O)c2)[C@@H](O)C1 ZINC001090340813 776294526 /nfs/dbraw/zinc/29/45/26/776294526.db2.gz DEGTVPOIJQQMFV-IUCAKERBSA-N 1 2 295.299 -2.168 20 0 CAADLO Cc1ncn(C)c1C(=O)N[C@H]1CC[N@H+](CC(N)=O)C[C@H]1O ZINC001090337348 776294797 /nfs/dbraw/zinc/29/47/97/776294797.db2.gz DUIXDAQVSSJYPU-VHSXEESVSA-N 1 2 295.343 -1.621 20 0 CAADLO Cc1ncn(C)c1C(=O)N[C@H]1CC[N@@H+](CC(N)=O)C[C@H]1O ZINC001090337348 776294803 /nfs/dbraw/zinc/29/48/03/776294803.db2.gz DUIXDAQVSSJYPU-VHSXEESVSA-N 1 2 295.343 -1.621 20 0 CAADLO Cc1noc(C(=O)N[C@H]2CC[N@H+](CC(N)=O)C[C@@H]2O)c1C ZINC001090349803 776295565 /nfs/dbraw/zinc/29/55/65/776295565.db2.gz QENXBSPGZQZJPY-UWVGGRQHSA-N 1 2 296.327 -1.058 20 0 CAADLO Cc1noc(C(=O)N[C@H]2CC[N@@H+](CC(N)=O)C[C@@H]2O)c1C ZINC001090349803 776295572 /nfs/dbraw/zinc/29/55/72/776295572.db2.gz QENXBSPGZQZJPY-UWVGGRQHSA-N 1 2 296.327 -1.058 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cnc[nH]c2=O)[C@H](O)C1 ZINC001090349363 776295663 /nfs/dbraw/zinc/29/56/63/776295663.db2.gz LGPDTNYSLKZASX-DTWKUNHWSA-N 1 2 295.299 -2.168 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)c2cnc[nH]c2=O)[C@H](O)C1 ZINC001090349363 776295670 /nfs/dbraw/zinc/29/56/70/776295670.db2.gz LGPDTNYSLKZASX-DTWKUNHWSA-N 1 2 295.299 -2.168 20 0 CAADLO Cc1noc(C(=O)N[C@@H]2CC[N@H+](CC(N)=O)C[C@H]2O)c1C ZINC001090349801 776295947 /nfs/dbraw/zinc/29/59/47/776295947.db2.gz QENXBSPGZQZJPY-NXEZZACHSA-N 1 2 296.327 -1.058 20 0 CAADLO Cc1noc(C(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C[C@H]2O)c1C ZINC001090349801 776295954 /nfs/dbraw/zinc/29/59/54/776295954.db2.gz QENXBSPGZQZJPY-NXEZZACHSA-N 1 2 296.327 -1.058 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cnc[nH]c2=O)[C@H](O)C1 ZINC001090349365 776296046 /nfs/dbraw/zinc/29/60/46/776296046.db2.gz LGPDTNYSLKZASX-RKDXNWHRSA-N 1 2 295.299 -2.168 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cnc[nH]c2=O)[C@H](O)C1 ZINC001090349365 776296051 /nfs/dbraw/zinc/29/60/51/776296051.db2.gz LGPDTNYSLKZASX-RKDXNWHRSA-N 1 2 295.299 -2.168 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cnc[nH]c2=O)[C@@H](O)C1 ZINC001090349364 776296596 /nfs/dbraw/zinc/29/65/96/776296596.db2.gz LGPDTNYSLKZASX-IUCAKERBSA-N 1 2 295.299 -2.168 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)c2cnc[nH]c2=O)[C@@H](O)C1 ZINC001090349364 776296601 /nfs/dbraw/zinc/29/66/01/776296601.db2.gz LGPDTNYSLKZASX-IUCAKERBSA-N 1 2 295.299 -2.168 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)COC2CCCC2)[C@@H](O)C1 ZINC001099697543 776298866 /nfs/dbraw/zinc/29/88/66/776298866.db2.gz BAPIUXOKIFWNIV-NEPJUHHUSA-N 1 2 299.371 -1.018 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)COC2CCCC2)[C@@H](O)C1 ZINC001099697543 776298871 /nfs/dbraw/zinc/29/88/71/776298871.db2.gz BAPIUXOKIFWNIV-NEPJUHHUSA-N 1 2 299.371 -1.018 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)COC2CCCC2)[C@H](O)C1 ZINC001099697546 776299226 /nfs/dbraw/zinc/29/92/26/776299226.db2.gz BAPIUXOKIFWNIV-VXGBXAGGSA-N 1 2 299.371 -1.018 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)COC2CCCC2)[C@H](O)C1 ZINC001099697546 776299236 /nfs/dbraw/zinc/29/92/36/776299236.db2.gz BAPIUXOKIFWNIV-VXGBXAGGSA-N 1 2 299.371 -1.018 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)COC2CCCC2)[C@@H](O)C1 ZINC001099697545 776299540 /nfs/dbraw/zinc/29/95/40/776299540.db2.gz BAPIUXOKIFWNIV-RYUDHWBXSA-N 1 2 299.371 -1.018 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)COC2CCCC2)[C@@H](O)C1 ZINC001099697545 776299544 /nfs/dbraw/zinc/29/95/44/776299544.db2.gz BAPIUXOKIFWNIV-RYUDHWBXSA-N 1 2 299.371 -1.018 20 0 CAADLO C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1NC(=O)C1=COCCO1 ZINC001079383194 776303381 /nfs/dbraw/zinc/30/33/81/776303381.db2.gz HMMHNOBQAIPNPH-RKDXNWHRSA-N 1 2 269.301 -1.204 20 0 CAADLO C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1NC(=O)C1=COCCO1 ZINC001079383194 776303391 /nfs/dbraw/zinc/30/33/91/776303391.db2.gz HMMHNOBQAIPNPH-RKDXNWHRSA-N 1 2 269.301 -1.204 20 0 CAADLO C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1NC(=O)c1cc[n+]([O-])cc1 ZINC001079385273 776303753 /nfs/dbraw/zinc/30/37/53/776303753.db2.gz VAZJISDUMQMFNS-MWLCHTKSSA-N 1 2 278.312 -1.145 20 0 CAADLO C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1NC(=O)c1cc[n+]([O-])cc1 ZINC001079385273 776303754 /nfs/dbraw/zinc/30/37/54/776303754.db2.gz VAZJISDUMQMFNS-MWLCHTKSSA-N 1 2 278.312 -1.145 20 0 CAADLO C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1NC(=O)c1ccnn1C ZINC001079481518 776306224 /nfs/dbraw/zinc/30/62/24/776306224.db2.gz LLIBVSZVKGQAFC-RKDXNWHRSA-N 1 2 265.317 -1.045 20 0 CAADLO C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1NC(=O)c1ccnn1C ZINC001079481518 776306233 /nfs/dbraw/zinc/30/62/33/776306233.db2.gz LLIBVSZVKGQAFC-RKDXNWHRSA-N 1 2 265.317 -1.045 20 0 CAADLO C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1NC(=O)c1cn(C)cn1 ZINC001079568790 776307378 /nfs/dbraw/zinc/30/73/78/776307378.db2.gz JAHBPDTUIDAJHW-RKDXNWHRSA-N 1 2 265.317 -1.045 20 0 CAADLO C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1NC(=O)c1cn(C)cn1 ZINC001079568790 776307385 /nfs/dbraw/zinc/30/73/85/776307385.db2.gz JAHBPDTUIDAJHW-RKDXNWHRSA-N 1 2 265.317 -1.045 20 0 CAADLO Cc1c(C(=O)N[C@@H]2C[N@@H+](CC(N)=O)C[C@H]2C)nnn1C ZINC001079520974 776307449 /nfs/dbraw/zinc/30/74/49/776307449.db2.gz DRPDGRGMPZPENP-VXNVDRBHSA-N 1 2 280.332 -1.341 20 0 CAADLO Cc1c(C(=O)N[C@@H]2C[N@H+](CC(N)=O)C[C@H]2C)nnn1C ZINC001079520974 776307461 /nfs/dbraw/zinc/30/74/61/776307461.db2.gz DRPDGRGMPZPENP-VXNVDRBHSA-N 1 2 280.332 -1.341 20 0 CAADLO Cc1nnc(CC(=O)N[C@@H]2C[N@@H+](CC(N)=O)C[C@H]2C)o1 ZINC001079659121 776308524 /nfs/dbraw/zinc/30/85/24/776308524.db2.gz SMCCYAATZKGJDE-VXNVDRBHSA-N 1 2 281.316 -1.158 20 0 CAADLO Cc1nnc(CC(=O)N[C@@H]2C[N@H+](CC(N)=O)C[C@H]2C)o1 ZINC001079659121 776308535 /nfs/dbraw/zinc/30/85/35/776308535.db2.gz SMCCYAATZKGJDE-VXNVDRBHSA-N 1 2 281.316 -1.158 20 0 CAADLO C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1NC(=O)c1cnnn1C ZINC001079644489 776308890 /nfs/dbraw/zinc/30/88/90/776308890.db2.gz YWMFZZGKBKYXBI-HTQZYQBOSA-N 1 2 266.305 -1.650 20 0 CAADLO C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1NC(=O)c1cnnn1C ZINC001079644489 776308898 /nfs/dbraw/zinc/30/88/98/776308898.db2.gz YWMFZZGKBKYXBI-HTQZYQBOSA-N 1 2 266.305 -1.650 20 0 CAADLO C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1NC(=O)c1cnn(C)c1N ZINC001079607200 776309545 /nfs/dbraw/zinc/30/95/45/776309545.db2.gz KLNTYYRXTHZWFE-VXNVDRBHSA-N 1 2 280.332 -1.462 20 0 CAADLO C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1NC(=O)c1cnn(C)c1N ZINC001079607200 776309550 /nfs/dbraw/zinc/30/95/50/776309550.db2.gz KLNTYYRXTHZWFE-VXNVDRBHSA-N 1 2 280.332 -1.462 20 0 CAADLO C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1NC(=O)c1cn(C)nn1 ZINC001079650639 776309694 /nfs/dbraw/zinc/30/96/94/776309694.db2.gz BUNAFCKJNZQALB-HTQZYQBOSA-N 1 2 266.305 -1.650 20 0 CAADLO C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1NC(=O)c1cn(C)nn1 ZINC001079650639 776309698 /nfs/dbraw/zinc/30/96/98/776309698.db2.gz BUNAFCKJNZQALB-HTQZYQBOSA-N 1 2 266.305 -1.650 20 0 CAADLO CNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cnnn2C)C1 ZINC001079643927 776309723 /nfs/dbraw/zinc/30/97/23/776309723.db2.gz DXGARASISVYFJH-RKDXNWHRSA-N 1 2 280.332 -1.389 20 0 CAADLO CNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cnnn2C)C1 ZINC001079643927 776309727 /nfs/dbraw/zinc/30/97/27/776309727.db2.gz DXGARASISVYFJH-RKDXNWHRSA-N 1 2 280.332 -1.389 20 0 CAADLO CCn1ncc(C(=O)N[C@@H]2C[N@H+](CC(N)=O)C[C@H]2C)n1 ZINC001079662203 776311473 /nfs/dbraw/zinc/31/14/73/776311473.db2.gz LDEWDPMWGZHZKZ-PSASIEDQSA-N 1 2 280.332 -1.167 20 0 CAADLO CCn1ncc(C(=O)N[C@@H]2C[N@@H+](CC(N)=O)C[C@H]2C)n1 ZINC001079662203 776311482 /nfs/dbraw/zinc/31/14/82/776311482.db2.gz LDEWDPMWGZHZKZ-PSASIEDQSA-N 1 2 280.332 -1.167 20 0 CAADLO CNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ncn(C)n2)C1 ZINC001079659912 776311872 /nfs/dbraw/zinc/31/18/72/776311872.db2.gz QTLLSJDQNUJKCL-RKDXNWHRSA-N 1 2 280.332 -1.389 20 0 CAADLO CNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ncn(C)n2)C1 ZINC001079659912 776311881 /nfs/dbraw/zinc/31/18/81/776311881.db2.gz QTLLSJDQNUJKCL-RKDXNWHRSA-N 1 2 280.332 -1.389 20 0 CAADLO CCn1nncc1C(=O)N[C@@H]1C[N@H+](CC(N)=O)C[C@H]1C ZINC001079665723 776311985 /nfs/dbraw/zinc/31/19/85/776311985.db2.gz IDYZNIWVPTVVRB-RKDXNWHRSA-N 1 2 280.332 -1.167 20 0 CAADLO CCn1nncc1C(=O)N[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1C ZINC001079665723 776311994 /nfs/dbraw/zinc/31/19/94/776311994.db2.gz IDYZNIWVPTVVRB-RKDXNWHRSA-N 1 2 280.332 -1.167 20 0 CAADLO CCN(C(=O)CCc1[nH]cc[nH+]1)C1CN(C(=O)C(N)=O)C1 ZINC001079695106 776312942 /nfs/dbraw/zinc/31/29/42/776312942.db2.gz VGAOWZFGVJBFBY-UHFFFAOYSA-N 1 2 293.327 -1.113 20 0 CAADLO C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1NC(=O)[C@]1(C)CCNC(=O)C1 ZINC001079953981 776316733 /nfs/dbraw/zinc/31/67/33/776316733.db2.gz OUZUMKUYWAJZGS-GPCCPHFNSA-N 1 2 296.371 -1.176 20 0 CAADLO C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1NC(=O)[C@]1(C)CCNC(=O)C1 ZINC001079953981 776316744 /nfs/dbraw/zinc/31/67/44/776316744.db2.gz OUZUMKUYWAJZGS-GPCCPHFNSA-N 1 2 296.371 -1.176 20 0 CAADLO C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1NC(=O)[C@]1(C)CNC(=O)C1 ZINC001080183160 776318836 /nfs/dbraw/zinc/31/88/36/776318836.db2.gz LTPLWTLJRDVRGA-KKFJDGPESA-N 1 2 282.344 -1.566 20 0 CAADLO C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1NC(=O)[C@]1(C)CNC(=O)C1 ZINC001080183160 776318844 /nfs/dbraw/zinc/31/88/44/776318844.db2.gz LTPLWTLJRDVRGA-KKFJDGPESA-N 1 2 282.344 -1.566 20 0 CAADLO Cc1nn[nH]c1C(=O)N[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1C ZINC001080247194 776319187 /nfs/dbraw/zinc/31/91/87/776319187.db2.gz RMVFJUZMMBPAPR-HTRCEHHLSA-N 1 2 266.305 -1.351 20 0 CAADLO Cc1nn[nH]c1C(=O)N[C@@H]1C[N@H+](CC(N)=O)C[C@H]1C ZINC001080247194 776319193 /nfs/dbraw/zinc/31/91/93/776319193.db2.gz RMVFJUZMMBPAPR-HTRCEHHLSA-N 1 2 266.305 -1.351 20 0 CAADLO COc1cc(C(=O)N[C@@H]2C[N@H+](CC(N)=O)C[C@H]2C)nn1C ZINC001080097170 776319644 /nfs/dbraw/zinc/31/96/44/776319644.db2.gz NHHNGTJEWFWPQT-PSASIEDQSA-N 1 2 295.343 -1.036 20 0 CAADLO COc1cc(C(=O)N[C@@H]2C[N@@H+](CC(N)=O)C[C@H]2C)nn1C ZINC001080097170 776319648 /nfs/dbraw/zinc/31/96/48/776319648.db2.gz NHHNGTJEWFWPQT-PSASIEDQSA-N 1 2 295.343 -1.036 20 0 CAADLO CCN(C(=O)Cc1[nH]c[nH+]c1C)C1CN(C(=O)C(N)=O)C1 ZINC001080199447 776319702 /nfs/dbraw/zinc/31/97/02/776319702.db2.gz BIAPDFZROSQOMK-UHFFFAOYSA-N 1 2 293.327 -1.195 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2nnn(C)n2)C1 ZINC001080277164 776321744 /nfs/dbraw/zinc/32/17/44/776321744.db2.gz HZMQLTNMUSLSIX-GJMOJQLCSA-N 1 2 281.320 -1.866 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1C[C@@H](C)[C@H](NC(=O)c2nnn(C)n2)C1 ZINC001080277164 776321751 /nfs/dbraw/zinc/32/17/51/776321751.db2.gz HZMQLTNMUSLSIX-GJMOJQLCSA-N 1 2 281.320 -1.866 20 0 CAADLO C[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@H]1NC(=O)C(N)=O ZINC001080367834 776323212 /nfs/dbraw/zinc/32/32/12/776323212.db2.gz XDUDBLGUBBRYIE-BWZBUEFSSA-N 1 2 254.290 -2.203 20 0 CAADLO C[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@H]1NC(=O)C(N)=O ZINC001080367834 776323222 /nfs/dbraw/zinc/32/32/22/776323222.db2.gz XDUDBLGUBBRYIE-BWZBUEFSSA-N 1 2 254.290 -2.203 20 0 CAADLO C[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]1NC(=O)C(N)=O ZINC001080367762 776323610 /nfs/dbraw/zinc/32/36/10/776323610.db2.gz TUBCEPLNWZOFJH-HTQZYQBOSA-N 1 2 256.306 -2.004 20 0 CAADLO C[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1NC(=O)C(N)=O ZINC001080367762 776323619 /nfs/dbraw/zinc/32/36/19/776323619.db2.gz TUBCEPLNWZOFJH-HTQZYQBOSA-N 1 2 256.306 -2.004 20 0 CAADLO C[C@@H]1C[N@H+](Cc2cnnn2C)C[C@H]1NC(=O)C(N)=O ZINC001080367754 776323800 /nfs/dbraw/zinc/32/38/00/776323800.db2.gz SNUXKCYXQAVZJB-VXNVDRBHSA-N 1 2 266.305 -1.763 20 0 CAADLO C[C@@H]1C[N@@H+](Cc2cnnn2C)C[C@H]1NC(=O)C(N)=O ZINC001080367754 776323810 /nfs/dbraw/zinc/32/38/10/776323810.db2.gz SNUXKCYXQAVZJB-VXNVDRBHSA-N 1 2 266.305 -1.763 20 0 CAADLO COc1nccc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)C(N)=O)C2)n1 ZINC001080367430 776324138 /nfs/dbraw/zinc/32/41/38/776324138.db2.gz CZSCBROHAFJHRP-PSASIEDQSA-N 1 2 293.327 -1.093 20 0 CAADLO COc1nccc(C[N@H+]2C[C@@H](C)[C@H](NC(=O)C(N)=O)C2)n1 ZINC001080367430 776324144 /nfs/dbraw/zinc/32/41/44/776324144.db2.gz CZSCBROHAFJHRP-PSASIEDQSA-N 1 2 293.327 -1.093 20 0 CAADLO C[C@@H]1C[N@H+](Cc2cncn2C)C[C@H]1NC(=O)C(N)=O ZINC001080367873 776324309 /nfs/dbraw/zinc/32/43/09/776324309.db2.gz ZDVSLJVTYBHNAU-PSASIEDQSA-N 1 2 265.317 -1.158 20 0 CAADLO C[C@@H]1C[N@@H+](Cc2cncn2C)C[C@H]1NC(=O)C(N)=O ZINC001080367873 776324320 /nfs/dbraw/zinc/32/43/20/776324320.db2.gz ZDVSLJVTYBHNAU-PSASIEDQSA-N 1 2 265.317 -1.158 20 0 CAADLO CCN(C(=O)C(N)=O)C1CN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001080401434 776327286 /nfs/dbraw/zinc/32/72/86/776327286.db2.gz BIDHCZAYSGYHNF-UHFFFAOYSA-N 1 2 279.300 -1.503 20 0 CAADLO CCN(C(=O)C(N)=O)C1CN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001080408308 776328199 /nfs/dbraw/zinc/32/81/99/776328199.db2.gz JAKXJLWHHVLOQX-UHFFFAOYSA-N 1 2 293.327 -1.113 20 0 CAADLO CCN(C(=O)C(N)=O)C1CN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001080408308 776328210 /nfs/dbraw/zinc/32/82/10/776328210.db2.gz JAKXJLWHHVLOQX-UHFFFAOYSA-N 1 2 293.327 -1.113 20 0 CAADLO CCN(C(=O)C(N)=O)C1CN(C(=O)CCn2cc[nH+]c2)C1 ZINC001080408186 776328681 /nfs/dbraw/zinc/32/86/81/776328681.db2.gz GKYUZDPVUAFIGC-UHFFFAOYSA-N 1 2 293.327 -1.182 20 0 CAADLO C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1NC(=O)[C@@]1(C)CCNC1=O ZINC001080433474 776329844 /nfs/dbraw/zinc/32/98/44/776329844.db2.gz DWDXEQIAOIPQTF-KKFJDGPESA-N 1 2 282.344 -1.566 20 0 CAADLO C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1NC(=O)[C@@]1(C)CCNC1=O ZINC001080433474 776329851 /nfs/dbraw/zinc/32/98/51/776329851.db2.gz DWDXEQIAOIPQTF-KKFJDGPESA-N 1 2 282.344 -1.566 20 0 CAADLO C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1NC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001080436110 776329942 /nfs/dbraw/zinc/32/99/42/776329942.db2.gz HTOLTJQQCWHOQP-DOLQZWNJSA-N 1 2 298.343 -2.059 20 0 CAADLO C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1NC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001080436110 776329951 /nfs/dbraw/zinc/32/99/51/776329951.db2.gz HTOLTJQQCWHOQP-DOLQZWNJSA-N 1 2 298.343 -2.059 20 0 CAADLO CCN(C(=O)Cc1c[nH+]c[nH]1)C1CN(C(=O)C(N)=O)C1 ZINC001080629513 776331068 /nfs/dbraw/zinc/33/10/68/776331068.db2.gz MGHWDABIADPAQX-UHFFFAOYSA-N 1 2 279.300 -1.503 20 0 CAADLO C[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@H]1NC(=O)Cc1nnc[nH]1 ZINC001080750717 776335072 /nfs/dbraw/zinc/33/50/72/776335072.db2.gz MGUTVFOCHRRPAI-BBBLOLIVSA-N 1 2 292.343 -1.328 20 0 CAADLO C[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@H]1NC(=O)Cc1nnc[nH]1 ZINC001080750717 776335085 /nfs/dbraw/zinc/33/50/85/776335085.db2.gz MGUTVFOCHRRPAI-BBBLOLIVSA-N 1 2 292.343 -1.328 20 0 CAADLO C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1NC(=O)Cc1nc[nH]n1 ZINC001080750678 776335128 /nfs/dbraw/zinc/33/51/28/776335128.db2.gz KCXZOLAUHZRGEO-HTQZYQBOSA-N 1 2 266.305 -1.731 20 0 CAADLO C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1NC(=O)Cc1nc[nH]n1 ZINC001080750678 776335136 /nfs/dbraw/zinc/33/51/36/776335136.db2.gz KCXZOLAUHZRGEO-HTQZYQBOSA-N 1 2 266.305 -1.731 20 0 CAADLO C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2C[N@H+](CC(N)=O)C[C@H]2C)C1 ZINC001080745794 776335286 /nfs/dbraw/zinc/33/52/86/776335286.db2.gz QVIXDFHNZSQXCR-GMTAPVOTSA-N 1 2 296.371 -1.223 20 0 CAADLO C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2C[N@@H+](CC(N)=O)C[C@H]2C)C1 ZINC001080745794 776335297 /nfs/dbraw/zinc/33/52/97/776335297.db2.gz QVIXDFHNZSQXCR-GMTAPVOTSA-N 1 2 296.371 -1.223 20 0 CAADLO C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1NC(=O)c1cc(C(N)=O)c[nH]1 ZINC001080681047 776335381 /nfs/dbraw/zinc/33/53/81/776335381.db2.gz ZVAUHTAIDBVVGF-GMSGAONNSA-N 1 2 293.327 -1.351 20 0 CAADLO C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1NC(=O)c1cc(C(N)=O)c[nH]1 ZINC001080681047 776335390 /nfs/dbraw/zinc/33/53/90/776335390.db2.gz ZVAUHTAIDBVVGF-GMSGAONNSA-N 1 2 293.327 -1.351 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cc2nnc[nH]2)C1 ZINC001080752366 776335444 /nfs/dbraw/zinc/33/54/44/776335444.db2.gz PJCYXYRCJHHIDF-KXUCPTDWSA-N 1 2 294.359 -1.082 20 0 CAADLO CNC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)Cc2nnc[nH]2)C1 ZINC001080752366 776335454 /nfs/dbraw/zinc/33/54/54/776335454.db2.gz PJCYXYRCJHHIDF-KXUCPTDWSA-N 1 2 294.359 -1.082 20 0 CAADLO C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1NC(=O)C(=O)N1CC[C@H](C)C1 ZINC001080745795 776335542 /nfs/dbraw/zinc/33/55/42/776335542.db2.gz QVIXDFHNZSQXCR-HBNTYKKESA-N 1 2 296.371 -1.223 20 0 CAADLO C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1NC(=O)C(=O)N1CC[C@H](C)C1 ZINC001080745795 776335552 /nfs/dbraw/zinc/33/55/52/776335552.db2.gz QVIXDFHNZSQXCR-HBNTYKKESA-N 1 2 296.371 -1.223 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cc2nnc[nH]2)C1 ZINC001080750753 776336358 /nfs/dbraw/zinc/33/63/58/776336358.db2.gz OFRDQVCHDASEAF-HRDYMLBCSA-N 1 2 280.332 -1.343 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1C[C@@H](C)[C@H](NC(=O)Cc2nnc[nH]2)C1 ZINC001080750753 776336367 /nfs/dbraw/zinc/33/63/67/776336367.db2.gz OFRDQVCHDASEAF-HRDYMLBCSA-N 1 2 280.332 -1.343 20 0 CAADLO CC(=O)N1CCC(CO)(NC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001080791276 776337890 /nfs/dbraw/zinc/33/78/90/776337890.db2.gz DSYXEUULMDBRCB-LBPRGKRZSA-N 1 2 299.371 -1.193 20 0 CAADLO CC(=O)N1CCC(CO)(NC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001080791276 776337899 /nfs/dbraw/zinc/33/78/99/776337899.db2.gz DSYXEUULMDBRCB-LBPRGKRZSA-N 1 2 299.371 -1.193 20 0 CAADLO C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1NC(=O)c1ccn(C)n1 ZINC001080937269 776339417 /nfs/dbraw/zinc/33/94/17/776339417.db2.gz BLGYJRAKOZLHTB-PSASIEDQSA-N 1 2 265.317 -1.045 20 0 CAADLO C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1NC(=O)c1ccn(C)n1 ZINC001080937269 776339426 /nfs/dbraw/zinc/33/94/26/776339426.db2.gz BLGYJRAKOZLHTB-PSASIEDQSA-N 1 2 265.317 -1.045 20 0 CAADLO COCC(=O)NC[C@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1O ZINC001081166228 776348999 /nfs/dbraw/zinc/34/89/99/776348999.db2.gz HSYKLWJQZZUGIV-QWRGUYRKSA-N 1 2 296.327 -1.535 20 0 CAADLO COCC(=O)NC[C@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1O ZINC001081166230 776349665 /nfs/dbraw/zinc/34/96/65/776349665.db2.gz HSYKLWJQZZUGIV-WDEREUQCSA-N 1 2 296.327 -1.535 20 0 CAADLO COCC(=O)NC[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1O ZINC001081190251 776352679 /nfs/dbraw/zinc/35/26/79/776352679.db2.gz YELIUEPSIQVPOK-ONGXEEELSA-N 1 2 296.327 -1.466 20 0 CAADLO COCC(=O)NC[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1O ZINC001081190250 776352868 /nfs/dbraw/zinc/35/28/68/776352868.db2.gz YELIUEPSIQVPOK-MWLCHTKSSA-N 1 2 296.327 -1.466 20 0 CAADLO COCC(=O)NC[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1O ZINC001081190248 776353267 /nfs/dbraw/zinc/35/32/67/776353267.db2.gz YELIUEPSIQVPOK-GXSJLCMTSA-N 1 2 296.327 -1.466 20 0 CAADLO CNC(=O)C[N@@H+]1C[C@@H](NC(=O)C2CCOCC2)[C@H](OC)C1 ZINC001081263432 776355760 /nfs/dbraw/zinc/35/57/60/776355760.db2.gz LHGAQHUHZFUKRG-VXGBXAGGSA-N 1 2 299.371 -1.026 20 0 CAADLO CNC(=O)C[N@H+]1C[C@@H](NC(=O)C2CCOCC2)[C@H](OC)C1 ZINC001081263432 776355767 /nfs/dbraw/zinc/35/57/67/776355767.db2.gz LHGAQHUHZFUKRG-VXGBXAGGSA-N 1 2 299.371 -1.026 20 0 CAADLO CO[C@@H]1C[N@@H+]([C@H](C)C(N)=O)C[C@H]1NC(=O)C1=COCCO1 ZINC001081317772 776359159 /nfs/dbraw/zinc/35/91/59/776359159.db2.gz ZTJCZOWOGZUAMK-OPRDCNLKSA-N 1 2 299.327 -1.436 20 0 CAADLO CO[C@@H]1C[N@H+]([C@H](C)C(N)=O)C[C@H]1NC(=O)C1=COCCO1 ZINC001081317772 776359169 /nfs/dbraw/zinc/35/91/69/776359169.db2.gz ZTJCZOWOGZUAMK-OPRDCNLKSA-N 1 2 299.327 -1.436 20 0 CAADLO CO[C@@H]1C[N@@H+]([C@H](C)C(N)=O)C[C@H]1NC(=O)Cn1cnnn1 ZINC001081334284 776359519 /nfs/dbraw/zinc/35/95/19/776359519.db2.gz LNRJHXYNXMHCMC-IWSPIJDZSA-N 1 2 297.319 -2.638 20 0 CAADLO CO[C@@H]1C[N@H+]([C@H](C)C(N)=O)C[C@H]1NC(=O)Cn1cnnn1 ZINC001081334284 776359529 /nfs/dbraw/zinc/35/95/29/776359529.db2.gz LNRJHXYNXMHCMC-IWSPIJDZSA-N 1 2 297.319 -2.638 20 0 CAADLO CO[C@@H]1C[N@@H+]([C@@H](C)C(N)=O)C[C@H]1NC(=O)Cn1cccn1 ZINC001081363818 776361179 /nfs/dbraw/zinc/36/11/79/776361179.db2.gz DFDAOVIWHONQOY-HBNTYKKESA-N 1 2 295.343 -1.428 20 0 CAADLO CO[C@@H]1C[N@H+]([C@@H](C)C(N)=O)C[C@H]1NC(=O)Cn1cccn1 ZINC001081363818 776361190 /nfs/dbraw/zinc/36/11/90/776361190.db2.gz DFDAOVIWHONQOY-HBNTYKKESA-N 1 2 295.343 -1.428 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2cn[nH]c2)[C@H](OC)C1 ZINC001081393135 776365154 /nfs/dbraw/zinc/36/51/54/776365154.db2.gz GHZSCTJAFNIPGV-FBIMIBRVSA-N 1 2 295.343 -1.027 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)c2cn[nH]c2)[C@H](OC)C1 ZINC001081393135 776365163 /nfs/dbraw/zinc/36/51/63/776365163.db2.gz GHZSCTJAFNIPGV-FBIMIBRVSA-N 1 2 295.343 -1.027 20 0 CAADLO CO[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@H]1NC(=O)c1ccn[nH]1 ZINC001081384870 776365203 /nfs/dbraw/zinc/36/52/03/776365203.db2.gz HDYCSOPKCSMRMK-GMTAPVOTSA-N 1 2 293.327 -1.273 20 0 CAADLO CO[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@H]1NC(=O)c1ccn[nH]1 ZINC001081384870 776365209 /nfs/dbraw/zinc/36/52/09/776365209.db2.gz HDYCSOPKCSMRMK-GMTAPVOTSA-N 1 2 293.327 -1.273 20 0 CAADLO CO[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@H]1NC(=O)c1cn[nH]c1 ZINC001081395724 776365327 /nfs/dbraw/zinc/36/53/27/776365327.db2.gz DXHNMWZRICGFNM-OUAUKWLOSA-N 1 2 293.327 -1.273 20 0 CAADLO CO[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@H]1NC(=O)c1cn[nH]c1 ZINC001081395724 776365335 /nfs/dbraw/zinc/36/53/35/776365335.db2.gz DXHNMWZRICGFNM-OUAUKWLOSA-N 1 2 293.327 -1.273 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2cn[nH]c2)[C@H](OC)C1 ZINC001081393136 776366186 /nfs/dbraw/zinc/36/61/86/776366186.db2.gz GHZSCTJAFNIPGV-JMJZKYOTSA-N 1 2 295.343 -1.027 20 0 CAADLO CNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)c2cn[nH]c2)[C@H](OC)C1 ZINC001081393136 776366197 /nfs/dbraw/zinc/36/61/97/776366197.db2.gz GHZSCTJAFNIPGV-JMJZKYOTSA-N 1 2 295.343 -1.027 20 0 CAADLO CO[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]1NC(=O)c1ccn[nH]1 ZINC001081385458 776366501 /nfs/dbraw/zinc/36/65/01/776366501.db2.gz PJLNAEFLJWCSLI-GHMZBOCLSA-N 1 2 295.343 -1.073 20 0 CAADLO CO[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1NC(=O)c1ccn[nH]1 ZINC001081385458 776366508 /nfs/dbraw/zinc/36/65/08/776366508.db2.gz PJLNAEFLJWCSLI-GHMZBOCLSA-N 1 2 295.343 -1.073 20 0 CAADLO CO[C@@H]1C[N@H+](CCO)C[C@H]1NC(=O)c1cnns1 ZINC001081404240 776367399 /nfs/dbraw/zinc/36/73/99/776367399.db2.gz VNGALOXUDYOEPN-HTQZYQBOSA-N 1 2 272.330 -1.041 20 0 CAADLO CO[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)c1cnns1 ZINC001081404240 776367408 /nfs/dbraw/zinc/36/74/08/776367408.db2.gz VNGALOXUDYOEPN-HTQZYQBOSA-N 1 2 272.330 -1.041 20 0 CAADLO CO[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]1NC(=O)[C@@H]1CCOC1 ZINC001081420870 776367670 /nfs/dbraw/zinc/36/76/70/776367670.db2.gz IEIXGEQUVSGKOV-IJLUTSLNSA-N 1 2 299.371 -1.074 20 0 CAADLO CO[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1NC(=O)[C@@H]1CCOC1 ZINC001081420870 776367677 /nfs/dbraw/zinc/36/76/77/776367677.db2.gz IEIXGEQUVSGKOV-IJLUTSLNSA-N 1 2 299.371 -1.074 20 0 CAADLO CNC(=O)C[N@@H+]1C[C@@H](NC(=O)C[C@@H]2CCOC2)[C@H](OC)C1 ZINC001081467304 776368563 /nfs/dbraw/zinc/36/85/63/776368563.db2.gz LUQUCWCJINPTQZ-QJPTWQEYSA-N 1 2 299.371 -1.026 20 0 CAADLO CNC(=O)C[N@H+]1C[C@@H](NC(=O)C[C@@H]2CCOC2)[C@H](OC)C1 ZINC001081467304 776368574 /nfs/dbraw/zinc/36/85/74/776368574.db2.gz LUQUCWCJINPTQZ-QJPTWQEYSA-N 1 2 299.371 -1.026 20 0 CAADLO CO[C@@H]1C[N@@H+]([C@@H](C)C(N)=O)C[C@H]1NC(=O)Cc1cc[nH]n1 ZINC001081470022 776368957 /nfs/dbraw/zinc/36/89/57/776368957.db2.gz LNDSLPCRZBNDSR-JMJZKYOTSA-N 1 2 295.343 -1.359 20 0 CAADLO CO[C@@H]1C[N@H+]([C@@H](C)C(N)=O)C[C@H]1NC(=O)Cc1cc[nH]n1 ZINC001081470022 776368968 /nfs/dbraw/zinc/36/89/68/776368968.db2.gz LNDSLPCRZBNDSR-JMJZKYOTSA-N 1 2 295.343 -1.359 20 0 CAADLO CNC(=O)C[N@@H+]1C[C@@H](NC(=O)C[C@H]2CCOC2)[C@H](OC)C1 ZINC001081467303 776369458 /nfs/dbraw/zinc/36/94/58/776369458.db2.gz LUQUCWCJINPTQZ-IJLUTSLNSA-N 1 2 299.371 -1.026 20 0 CAADLO CNC(=O)C[N@H+]1C[C@@H](NC(=O)C[C@H]2CCOC2)[C@H](OC)C1 ZINC001081467303 776369470 /nfs/dbraw/zinc/36/94/70/776369470.db2.gz LUQUCWCJINPTQZ-IJLUTSLNSA-N 1 2 299.371 -1.026 20 0 CAADLO NC(=O)C(=O)N1C[C@@H](CNC(=O)Cn2cc[nH+]c2)[C@H](O)C1 ZINC001081580960 776374998 /nfs/dbraw/zinc/37/49/98/776374998.db2.gz VFVWVGSLWXKXNM-RKDXNWHRSA-N 1 2 295.299 -2.696 20 0 CAADLO COCC(=O)N1C[C@@H](CNC(=O)Cn2cc[nH+]c2)[C@H](O)C1 ZINC001081578148 776375795 /nfs/dbraw/zinc/37/57/95/776375795.db2.gz XOZCIBQCOIKTAA-GHMZBOCLSA-N 1 2 296.327 -1.535 20 0 CAADLO CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001081579980 776375882 /nfs/dbraw/zinc/37/58/82/776375882.db2.gz IIROVAIWRHVZLO-WDEREUQCSA-N 1 2 266.301 -1.162 20 0 CAADLO CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001081617251 776377076 /nfs/dbraw/zinc/37/70/76/776377076.db2.gz BGPVTFBNAHNDCP-CMPLNLGQSA-N 1 2 280.328 -1.082 20 0 CAADLO CO[C@@H]1C[N@H+](CCO)C[C@H]1NC(=O)Cc1n[nH]c(C)n1 ZINC001081652158 776379279 /nfs/dbraw/zinc/37/92/79/776379279.db2.gz QIMAHYOFFDYNKM-NXEZZACHSA-N 1 2 283.332 -1.537 20 0 CAADLO CO[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)Cc1n[nH]c(C)n1 ZINC001081652158 776379288 /nfs/dbraw/zinc/37/92/88/776379288.db2.gz QIMAHYOFFDYNKM-NXEZZACHSA-N 1 2 283.332 -1.537 20 0 CAADLO CO[C@@H]1C[N@H+](CCF)C[C@H]1NC(=O)[C@@H]1COC(=O)N1 ZINC001081612601 776379407 /nfs/dbraw/zinc/37/94/07/776379407.db2.gz MPEYFQGMWBPECI-HRDYMLBCSA-N 1 2 275.280 -1.120 20 0 CAADLO CO[C@@H]1C[N@@H+](CCF)C[C@H]1NC(=O)[C@@H]1COC(=O)N1 ZINC001081612601 776379415 /nfs/dbraw/zinc/37/94/15/776379415.db2.gz MPEYFQGMWBPECI-HRDYMLBCSA-N 1 2 275.280 -1.120 20 0 CAADLO CO[C@@H]1C[N@@H+]([C@@H](C)C(N)=O)C[C@H]1NC(=O)Cn1ncnn1 ZINC001081673347 776381342 /nfs/dbraw/zinc/38/13/42/776381342.db2.gz IZSFVPQWUMTEPN-DJLDLDEBSA-N 1 2 297.319 -2.638 20 0 CAADLO CO[C@@H]1C[N@H+]([C@@H](C)C(N)=O)C[C@H]1NC(=O)Cn1ncnn1 ZINC001081673347 776381353 /nfs/dbraw/zinc/38/13/53/776381353.db2.gz IZSFVPQWUMTEPN-DJLDLDEBSA-N 1 2 297.319 -2.638 20 0 CAADLO CC(=O)N1C[C@H](O)[C@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001081691988 776381637 /nfs/dbraw/zinc/38/16/37/776381637.db2.gz AKFCZHAENQCYJB-ZJUUUORDSA-N 1 2 266.301 -1.092 20 0 CAADLO COCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001081693408 776381737 /nfs/dbraw/zinc/38/17/37/776381737.db2.gz RPSARFBFKJPFRT-VHSXEESVSA-N 1 2 296.327 -1.466 20 0 CAADLO COCC(=O)N1C[C@H](O)[C@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001081693409 776383110 /nfs/dbraw/zinc/38/31/10/776383110.db2.gz RPSARFBFKJPFRT-ZJUUUORDSA-N 1 2 296.327 -1.466 20 0 CAADLO NC(=O)C(=O)NC[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1O ZINC001081714215 776386919 /nfs/dbraw/zinc/38/69/19/776386919.db2.gz UVBJLMKMRBAKDM-YUMQZZPRSA-N 1 2 295.299 -2.627 20 0 CAADLO NC(=O)C(=O)NC[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1O ZINC001081714212 776387352 /nfs/dbraw/zinc/38/73/52/776387352.db2.gz UVBJLMKMRBAKDM-HTQZYQBOSA-N 1 2 295.299 -2.627 20 0 CAADLO CO[C@@H]1C[N@@H+]([C@H](C)C(N)=O)C[C@H]1NC(=O)Cn1nccn1 ZINC001081736978 776392677 /nfs/dbraw/zinc/39/26/77/776392677.db2.gz FFIFPQGWXYPNMK-OPRDCNLKSA-N 1 2 296.331 -2.033 20 0 CAADLO CO[C@@H]1C[N@H+]([C@H](C)C(N)=O)C[C@H]1NC(=O)Cn1nccn1 ZINC001081736978 776392687 /nfs/dbraw/zinc/39/26/87/776392687.db2.gz FFIFPQGWXYPNMK-OPRDCNLKSA-N 1 2 296.331 -2.033 20 0 CAADLO NC(=O)C(=O)N1C[C@@H](CNC(=O)Cc2c[nH]c[nH+]2)[C@H](O)C1 ZINC001081800292 776398012 /nfs/dbraw/zinc/39/80/12/776398012.db2.gz LUUUGHFJHJCZHK-VXNVDRBHSA-N 1 2 295.299 -2.627 20 0 CAADLO NC(=O)C(=O)N1C[C@H](O)[C@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001081800289 776398238 /nfs/dbraw/zinc/39/82/38/776398238.db2.gz LUUUGHFJHJCZHK-APPZFPTMSA-N 1 2 295.299 -2.627 20 0 CAADLO CO[C@@H]1C[N@H+](CCO)C[C@H]1NC(=O)c1cn[nH]n1 ZINC001081888338 776398823 /nfs/dbraw/zinc/39/88/23/776398823.db2.gz UFZUKEMCIUIKPM-RKDXNWHRSA-N 1 2 255.278 -1.774 20 0 CAADLO CO[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)c1cn[nH]n1 ZINC001081888338 776398833 /nfs/dbraw/zinc/39/88/33/776398833.db2.gz UFZUKEMCIUIKPM-RKDXNWHRSA-N 1 2 255.278 -1.774 20 0 CAADLO CO[C@@H]1C[N@H+](CCO)C[C@H]1NC(=O)c1cnn[nH]1 ZINC001081888338 776398841 /nfs/dbraw/zinc/39/88/41/776398841.db2.gz UFZUKEMCIUIKPM-RKDXNWHRSA-N 1 2 255.278 -1.774 20 0 CAADLO CO[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)c1cnn[nH]1 ZINC001081888338 776398844 /nfs/dbraw/zinc/39/88/44/776398844.db2.gz UFZUKEMCIUIKPM-RKDXNWHRSA-N 1 2 255.278 -1.774 20 0 CAADLO CO[C@@H]1C[N@H+](C[C@H](C)O)C[C@H]1NC(=O)c1cn[nH]n1 ZINC001081888248 776399249 /nfs/dbraw/zinc/39/92/49/776399249.db2.gz PLTMQZQPGFKPCI-FXBDTBDDSA-N 1 2 269.305 -1.386 20 0 CAADLO CO[C@@H]1C[N@@H+](C[C@H](C)O)C[C@H]1NC(=O)c1cn[nH]n1 ZINC001081888248 776399263 /nfs/dbraw/zinc/39/92/63/776399263.db2.gz PLTMQZQPGFKPCI-FXBDTBDDSA-N 1 2 269.305 -1.386 20 0 CAADLO CO[C@@H]1C[N@H+](C[C@H](C)O)C[C@H]1NC(=O)c1cnn[nH]1 ZINC001081888248 776399268 /nfs/dbraw/zinc/39/92/68/776399268.db2.gz PLTMQZQPGFKPCI-FXBDTBDDSA-N 1 2 269.305 -1.386 20 0 CAADLO CO[C@@H]1C[N@@H+](C[C@H](C)O)C[C@H]1NC(=O)c1cnn[nH]1 ZINC001081888248 776399272 /nfs/dbraw/zinc/39/92/72/776399272.db2.gz PLTMQZQPGFKPCI-FXBDTBDDSA-N 1 2 269.305 -1.386 20 0 CAADLO CO[C@@H]1C[N@H+](CCF)C[C@H]1NC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001082023743 776401243 /nfs/dbraw/zinc/40/12/43/776401243.db2.gz ULXUBDVWXKIDAC-KXUCPTDWSA-N 1 2 288.323 -1.205 20 0 CAADLO CO[C@@H]1C[N@@H+](CCF)C[C@H]1NC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001082023743 776401252 /nfs/dbraw/zinc/40/12/52/776401252.db2.gz ULXUBDVWXKIDAC-KXUCPTDWSA-N 1 2 288.323 -1.205 20 0 CAADLO CO[C@@H]1C[N@H+](CCF)C[C@H]1NC(=O)[C@H]1CCNC1=O ZINC001082023453 776401386 /nfs/dbraw/zinc/40/13/86/776401386.db2.gz LBAKOYZXVYXGCY-IVZWLZJFSA-N 1 2 273.308 -1.093 20 0 CAADLO CO[C@@H]1C[N@@H+](CCF)C[C@H]1NC(=O)[C@H]1CCNC1=O ZINC001082023453 776401388 /nfs/dbraw/zinc/40/13/88/776401388.db2.gz LBAKOYZXVYXGCY-IVZWLZJFSA-N 1 2 273.308 -1.093 20 0 CAADLO CNC(=O)C[N@@H+]1C[C@@H](NC(=O)[C@H]2CCNC2=O)[C@H](OC)C1 ZINC001082019580 776401475 /nfs/dbraw/zinc/40/14/75/776401475.db2.gz FMWIJWAVJZZLHO-IVZWLZJFSA-N 1 2 298.343 -2.316 20 0 CAADLO CNC(=O)C[N@H+]1C[C@@H](NC(=O)[C@H]2CCNC2=O)[C@H](OC)C1 ZINC001082019580 776401476 /nfs/dbraw/zinc/40/14/76/776401476.db2.gz FMWIJWAVJZZLHO-IVZWLZJFSA-N 1 2 298.343 -2.316 20 0 CAADLO CO[C@@H]1C[N@H+](C[C@@H](C)O)C[C@H]1NC(=O)C1=NC(=O)N(C)C1 ZINC001082101322 776403002 /nfs/dbraw/zinc/40/30/02/776403002.db2.gz PWMNHOXVPYGBJT-FXPVBKGRSA-N 1 2 298.343 -1.065 20 0 CAADLO CO[C@@H]1C[N@@H+](C[C@@H](C)O)C[C@H]1NC(=O)C1=NC(=O)N(C)C1 ZINC001082101322 776403006 /nfs/dbraw/zinc/40/30/06/776403006.db2.gz PWMNHOXVPYGBJT-FXPVBKGRSA-N 1 2 298.343 -1.065 20 0 CAADLO CCCOCC(=O)N[C@@H]1CC[N@H+](CC(N)=O)C[C@H]1O ZINC001099731871 776403077 /nfs/dbraw/zinc/40/30/77/776403077.db2.gz FIPZOLOBAPWDCD-NXEZZACHSA-N 1 2 273.333 -1.550 20 0 CAADLO CCCOCC(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C[C@H]1O ZINC001099731871 776403080 /nfs/dbraw/zinc/40/30/80/776403080.db2.gz FIPZOLOBAPWDCD-NXEZZACHSA-N 1 2 273.333 -1.550 20 0 CAADLO CO[C@@H]1C[N@H+](CCCO)C[C@H]1NC(=O)C1=NC(=O)N(C)C1 ZINC001082095111 776403210 /nfs/dbraw/zinc/40/32/10/776403210.db2.gz TZXQBAACDKFQNG-MWLCHTKSSA-N 1 2 298.343 -1.063 20 0 CAADLO CO[C@@H]1C[N@@H+](CCCO)C[C@H]1NC(=O)C1=NC(=O)N(C)C1 ZINC001082095111 776403211 /nfs/dbraw/zinc/40/32/11/776403211.db2.gz TZXQBAACDKFQNG-MWLCHTKSSA-N 1 2 298.343 -1.063 20 0 CAADLO CO[C@@H]1C[N@@H+]([C@@H](C)C(N)=O)C[C@H]1NC(=O)Cc1cnoc1 ZINC001082054026 776403364 /nfs/dbraw/zinc/40/33/64/776403364.db2.gz NECUQGDAYAUBQW-JMJZKYOTSA-N 1 2 296.327 -1.094 20 0 CAADLO CO[C@@H]1C[N@H+]([C@@H](C)C(N)=O)C[C@H]1NC(=O)Cc1cnoc1 ZINC001082054026 776403365 /nfs/dbraw/zinc/40/33/65/776403365.db2.gz NECUQGDAYAUBQW-JMJZKYOTSA-N 1 2 296.327 -1.094 20 0 CAADLO COCCCCC(=O)N[C@H]1CC[N@H+](CC(N)=O)C[C@H]1O ZINC001099732770 776404261 /nfs/dbraw/zinc/40/42/61/776404261.db2.gz QFHOSEGCOBFTNO-WDEREUQCSA-N 1 2 287.360 -1.160 20 0 CAADLO COCCCCC(=O)N[C@H]1CC[N@@H+](CC(N)=O)C[C@H]1O ZINC001099732770 776404266 /nfs/dbraw/zinc/40/42/66/776404266.db2.gz QFHOSEGCOBFTNO-WDEREUQCSA-N 1 2 287.360 -1.160 20 0 CAADLO CO[C@@H]1C[N@H+](Cc2ccccn2)C[C@H]1NC(=O)C(N)=O ZINC001082086880 776404700 /nfs/dbraw/zinc/40/47/00/776404700.db2.gz VQMBLFGTGRWZMZ-GHMZBOCLSA-N 1 2 278.312 -1.118 20 0 CAADLO CO[C@@H]1C[N@@H+](Cc2ccccn2)C[C@H]1NC(=O)C(N)=O ZINC001082086880 776404704 /nfs/dbraw/zinc/40/47/04/776404704.db2.gz VQMBLFGTGRWZMZ-GHMZBOCLSA-N 1 2 278.312 -1.118 20 0 CAADLO CO[C@@H]1C[N@H+](Cc2cccnc2)C[C@H]1NC(=O)C(N)=O ZINC001082086531 776404815 /nfs/dbraw/zinc/40/48/15/776404815.db2.gz CBGWOBYVLUPZHN-GHMZBOCLSA-N 1 2 278.312 -1.118 20 0 CAADLO CO[C@@H]1C[N@@H+](Cc2cccnc2)C[C@H]1NC(=O)C(N)=O ZINC001082086531 776404816 /nfs/dbraw/zinc/40/48/16/776404816.db2.gz CBGWOBYVLUPZHN-GHMZBOCLSA-N 1 2 278.312 -1.118 20 0 CAADLO CO[C@@H]1C[N@@H+]([C@H](C)C(=O)N(C)C)C[C@H]1NC(=O)C(N)=O ZINC001082088873 776405477 /nfs/dbraw/zinc/40/54/77/776405477.db2.gz CCQJNLVPYOOCSF-IWSPIJDZSA-N 1 2 286.332 -2.236 20 0 CAADLO CO[C@@H]1C[N@H+]([C@H](C)C(=O)N(C)C)C[C@H]1NC(=O)C(N)=O ZINC001082088873 776405482 /nfs/dbraw/zinc/40/54/82/776405482.db2.gz CCQJNLVPYOOCSF-IWSPIJDZSA-N 1 2 286.332 -2.236 20 0 CAADLO CO[C@@H]1C[N@@H+]([C@H]2CCCN(C)C2=O)C[C@H]1NC(=O)C(N)=O ZINC001082087916 776406019 /nfs/dbraw/zinc/40/60/19/776406019.db2.gz QAGPJGVCZXNSHW-KXUCPTDWSA-N 1 2 298.343 -2.092 20 0 CAADLO CO[C@@H]1C[N@H+]([C@H]2CCCN(C)C2=O)C[C@H]1NC(=O)C(N)=O ZINC001082087916 776406021 /nfs/dbraw/zinc/40/60/21/776406021.db2.gz QAGPJGVCZXNSHW-KXUCPTDWSA-N 1 2 298.343 -2.092 20 0 CAADLO CNC(=O)C[N@@H+]1C[C@@H](NC(=O)[C@H]2C[C@H]2C(N)=O)[C@H](OC)C1 ZINC001082140121 776407290 /nfs/dbraw/zinc/40/72/90/776407290.db2.gz KRETYNRAPJAAME-UTINFBMNSA-N 1 2 298.343 -2.331 20 0 CAADLO CNC(=O)C[N@H+]1C[C@@H](NC(=O)[C@H]2C[C@H]2C(N)=O)[C@H](OC)C1 ZINC001082140121 776407294 /nfs/dbraw/zinc/40/72/94/776407294.db2.gz KRETYNRAPJAAME-UTINFBMNSA-N 1 2 298.343 -2.331 20 0 CAADLO COCC[N@@H+]1C[C@@H](NC(=O)c2nnc[nH]2)[C@H](OC)C1 ZINC001082249206 776408774 /nfs/dbraw/zinc/40/87/74/776408774.db2.gz LYAYFBPJXSJZLZ-RKDXNWHRSA-N 1 2 269.305 -1.120 20 0 CAADLO COCC[N@H+]1C[C@@H](NC(=O)c2nnc[nH]2)[C@H](OC)C1 ZINC001082249206 776408778 /nfs/dbraw/zinc/40/87/78/776408778.db2.gz LYAYFBPJXSJZLZ-RKDXNWHRSA-N 1 2 269.305 -1.120 20 0 CAADLO COCC[N@@H+]1C[C@@H](NC(=O)c2ncn[nH]2)[C@H](OC)C1 ZINC001082249206 776408782 /nfs/dbraw/zinc/40/87/82/776408782.db2.gz LYAYFBPJXSJZLZ-RKDXNWHRSA-N 1 2 269.305 -1.120 20 0 CAADLO COCC[N@H+]1C[C@@H](NC(=O)c2ncn[nH]2)[C@H](OC)C1 ZINC001082249206 776408785 /nfs/dbraw/zinc/40/87/85/776408785.db2.gz LYAYFBPJXSJZLZ-RKDXNWHRSA-N 1 2 269.305 -1.120 20 0 CAADLO NC(=O)C(=O)NC[C@@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001082251463 776409093 /nfs/dbraw/zinc/40/90/93/776409093.db2.gz PKIOKXDIJHQDOV-VIFPVBQESA-N 1 2 293.327 -1.065 20 0 CAADLO CO[C@@H]1C[N@H+](CCO)C[C@H]1NC(=O)c1nnc[nH]1 ZINC001082250202 776409151 /nfs/dbraw/zinc/40/91/51/776409151.db2.gz FWKWWOAAZMZORA-HTQZYQBOSA-N 1 2 255.278 -1.774 20 0 CAADLO CO[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)c1nnc[nH]1 ZINC001082250202 776409155 /nfs/dbraw/zinc/40/91/55/776409155.db2.gz FWKWWOAAZMZORA-HTQZYQBOSA-N 1 2 255.278 -1.774 20 0 CAADLO CO[C@@H]1C[N@H+](CCO)C[C@H]1NC(=O)c1ncn[nH]1 ZINC001082250202 776409159 /nfs/dbraw/zinc/40/91/59/776409159.db2.gz FWKWWOAAZMZORA-HTQZYQBOSA-N 1 2 255.278 -1.774 20 0 CAADLO CO[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)c1ncn[nH]1 ZINC001082250202 776409162 /nfs/dbraw/zinc/40/91/62/776409162.db2.gz FWKWWOAAZMZORA-HTQZYQBOSA-N 1 2 255.278 -1.774 20 0 CAADLO CO[C@@H]1C[N@H+](C[C@@H](C)O)C[C@H]1NC(=O)c1ncn[nH]1 ZINC001082248799 776409690 /nfs/dbraw/zinc/40/96/90/776409690.db2.gz DBLRSRAOIAMXIU-IWSPIJDZSA-N 1 2 269.305 -1.386 20 0 CAADLO CO[C@@H]1C[N@@H+](C[C@@H](C)O)C[C@H]1NC(=O)c1ncn[nH]1 ZINC001082248799 776409694 /nfs/dbraw/zinc/40/96/94/776409694.db2.gz DBLRSRAOIAMXIU-IWSPIJDZSA-N 1 2 269.305 -1.386 20 0 CAADLO CO[C@@H]1C[N@H+](C[C@@H](C)O)C[C@H]1NC(=O)c1nc[nH]n1 ZINC001082248799 776409702 /nfs/dbraw/zinc/40/97/02/776409702.db2.gz DBLRSRAOIAMXIU-IWSPIJDZSA-N 1 2 269.305 -1.386 20 0 CAADLO CO[C@@H]1C[N@@H+](C[C@@H](C)O)C[C@H]1NC(=O)c1nc[nH]n1 ZINC001082248799 776409706 /nfs/dbraw/zinc/40/97/06/776409706.db2.gz DBLRSRAOIAMXIU-IWSPIJDZSA-N 1 2 269.305 -1.386 20 0 CAADLO COCC[N@@H+]1C[C@@H](NC(=O)Cc2nnc[nH]2)[C@H](OC)C1 ZINC001082315721 776410906 /nfs/dbraw/zinc/41/09/06/776410906.db2.gz AHAWSALENVDPOK-NXEZZACHSA-N 1 2 283.332 -1.191 20 0 CAADLO COCC[N@H+]1C[C@@H](NC(=O)Cc2nnc[nH]2)[C@H](OC)C1 ZINC001082315721 776410913 /nfs/dbraw/zinc/41/09/13/776410913.db2.gz AHAWSALENVDPOK-NXEZZACHSA-N 1 2 283.332 -1.191 20 0 CAADLO CO[C@@H]1CN(CC(N)=O)C[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC001082327419 776411763 /nfs/dbraw/zinc/41/17/63/776411763.db2.gz SFBKDQZJDOGGPM-GHMZBOCLSA-N 1 2 295.343 -1.737 20 0 CAADLO CO[C@@H]1C[N@H+](CCO)C[C@H]1NC(=O)CN1CCCC1 ZINC001082370247 776412829 /nfs/dbraw/zinc/41/28/29/776412829.db2.gz YSPKAHKBLAIUPO-VXGBXAGGSA-N 1 2 271.361 -1.110 20 0 CAADLO CO[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)CN1CCCC1 ZINC001082370247 776412833 /nfs/dbraw/zinc/41/28/33/776412833.db2.gz YSPKAHKBLAIUPO-VXGBXAGGSA-N 1 2 271.361 -1.110 20 0 CAADLO CO[C@@H]1CN(CCO)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001082370247 776412836 /nfs/dbraw/zinc/41/28/36/776412836.db2.gz YSPKAHKBLAIUPO-VXGBXAGGSA-N 1 2 271.361 -1.110 20 0 CAADLO CO[C@@H]1C[N@@H+]([C@@H](C)C(N)=O)C[C@H]1NC(=O)Cn1cncn1 ZINC001082358638 776413376 /nfs/dbraw/zinc/41/33/76/776413376.db2.gz KJPNSGPDPCSHMW-IVZWLZJFSA-N 1 2 296.331 -2.033 20 0 CAADLO CO[C@@H]1C[N@H+]([C@@H](C)C(N)=O)C[C@H]1NC(=O)Cn1cncn1 ZINC001082358638 776413380 /nfs/dbraw/zinc/41/33/80/776413380.db2.gz KJPNSGPDPCSHMW-IVZWLZJFSA-N 1 2 296.331 -2.033 20 0 CAADLO CO[C@@H]1CN([C@@H](C)C(N)=O)C[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001082394968 776414694 /nfs/dbraw/zinc/41/46/94/776414694.db2.gz OYEZHDQPUZNDNY-HBNTYKKESA-N 1 2 295.343 -1.428 20 0 CAADLO NC(=O)CC(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C[C@H]1O ZINC001099758424 776419593 /nfs/dbraw/zinc/41/95/93/776419593.db2.gz SNPPTVPANSRJJA-RNFRBKRXSA-N 1 2 258.278 -3.102 20 0 CAADLO NC(=O)CC(=O)N[C@@H]1CC[N@H+](CC(N)=O)C[C@H]1O ZINC001099758424 776419595 /nfs/dbraw/zinc/41/95/95/776419595.db2.gz SNPPTVPANSRJJA-RNFRBKRXSA-N 1 2 258.278 -3.102 20 0 CAADLO Cc1conc1C[N@@H+]1CC[C@@H](NC(=O)CC(N)=O)[C@H](O)C1 ZINC001099760095 776420083 /nfs/dbraw/zinc/42/00/83/776420083.db2.gz DJESLJFOXOZQMC-MWLCHTKSSA-N 1 2 296.327 -1.090 20 0 CAADLO Cc1conc1C[N@H+]1CC[C@@H](NC(=O)CC(N)=O)[C@H](O)C1 ZINC001099760095 776420089 /nfs/dbraw/zinc/42/00/89/776420089.db2.gz DJESLJFOXOZQMC-MWLCHTKSSA-N 1 2 296.327 -1.090 20 0 CAADLO Cn1ccc(C[N@@H+]2CC[C@H](NC(=O)CC(N)=O)[C@H](O)C2)n1 ZINC001099757598 776420247 /nfs/dbraw/zinc/42/02/47/776420247.db2.gz GYZAGDSRMFEHJZ-WDEREUQCSA-N 1 2 295.343 -1.653 20 0 CAADLO Cn1ccc(C[N@H+]2CC[C@H](NC(=O)CC(N)=O)[C@H](O)C2)n1 ZINC001099757598 776420250 /nfs/dbraw/zinc/42/02/50/776420250.db2.gz GYZAGDSRMFEHJZ-WDEREUQCSA-N 1 2 295.343 -1.653 20 0 CAADLO NC(=O)CC(=O)N[C@H]1CC[N@@H+](CC(N)=O)C[C@@H]1O ZINC001099758422 776420699 /nfs/dbraw/zinc/42/06/99/776420699.db2.gz SNPPTVPANSRJJA-BQBZGAKWSA-N 1 2 258.278 -3.102 20 0 CAADLO NC(=O)CC(=O)N[C@H]1CC[N@H+](CC(N)=O)C[C@@H]1O ZINC001099758422 776420703 /nfs/dbraw/zinc/42/07/03/776420703.db2.gz SNPPTVPANSRJJA-BQBZGAKWSA-N 1 2 258.278 -3.102 20 0 CAADLO C[C@H]([NH2+][C@@H]1CN(C(=O)Cc2ncn[nH]2)C[C@H]1C)C(N)=O ZINC001082851079 776423192 /nfs/dbraw/zinc/42/31/92/776423192.db2.gz NFOVYRHSHAGGNO-HRDYMLBCSA-N 1 2 280.332 -1.343 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)CCc2nnc[nH]2)[C@H](O)C1 ZINC001099764301 776423607 /nfs/dbraw/zinc/42/36/07/776423607.db2.gz SYENPLNIAFAFQS-RKDXNWHRSA-N 1 2 296.331 -2.226 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)CCc2nnc[nH]2)[C@H](O)C1 ZINC001099764301 776423610 /nfs/dbraw/zinc/42/36/10/776423610.db2.gz SYENPLNIAFAFQS-RKDXNWHRSA-N 1 2 296.331 -2.226 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)CCc2nnc[nH]2)[C@H](O)C1 ZINC001099764299 776423786 /nfs/dbraw/zinc/42/37/86/776423786.db2.gz SYENPLNIAFAFQS-DTWKUNHWSA-N 1 2 296.331 -2.226 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)CCc2nnc[nH]2)[C@H](O)C1 ZINC001099764299 776423787 /nfs/dbraw/zinc/42/37/87/776423787.db2.gz SYENPLNIAFAFQS-DTWKUNHWSA-N 1 2 296.331 -2.226 20 0 CAADLO CCc1n[nH]cc1C(=O)N[C@H]1CC[N@H+](CC(N)=O)C[C@H]1O ZINC001090386391 776423848 /nfs/dbraw/zinc/42/38/48/776423848.db2.gz VXYCFXQRJISVPW-WDEREUQCSA-N 1 2 295.343 -1.378 20 0 CAADLO CCc1n[nH]cc1C(=O)N[C@H]1CC[N@@H+](CC(N)=O)C[C@H]1O ZINC001090386391 776423853 /nfs/dbraw/zinc/42/38/53/776423853.db2.gz VXYCFXQRJISVPW-WDEREUQCSA-N 1 2 295.343 -1.378 20 0 CAADLO CCc1n[nH]cc1C(=O)N[C@@H]1CC[N@H+](CC(N)=O)C[C@H]1O ZINC001090386383 776423863 /nfs/dbraw/zinc/42/38/63/776423863.db2.gz VXYCFXQRJISVPW-GHMZBOCLSA-N 1 2 295.343 -1.378 20 0 CAADLO CCc1n[nH]cc1C(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C[C@H]1O ZINC001090386383 776423867 /nfs/dbraw/zinc/42/38/67/776423867.db2.gz VXYCFXQRJISVPW-GHMZBOCLSA-N 1 2 295.343 -1.378 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)CCc2nnc[nH]2)[C@@H](O)C1 ZINC001099764298 776423915 /nfs/dbraw/zinc/42/39/15/776423915.db2.gz SYENPLNIAFAFQS-BDAKNGLRSA-N 1 2 296.331 -2.226 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)CCc2nnc[nH]2)[C@@H](O)C1 ZINC001099764298 776423918 /nfs/dbraw/zinc/42/39/18/776423918.db2.gz SYENPLNIAFAFQS-BDAKNGLRSA-N 1 2 296.331 -2.226 20 0 CAADLO C[NH+](C)C[C@H](CO)NC(=O)C1=CCS(=O)(=O)C1 ZINC001119044696 776423964 /nfs/dbraw/zinc/42/39/64/776423964.db2.gz PIAWXSOWKCTGGO-SECBINFHSA-N 1 2 262.331 -1.620 20 0 CAADLO C[NH+](C)C[C@@H](CO)NC(=O)C1=CCS(=O)(=O)C1 ZINC001119044697 776424092 /nfs/dbraw/zinc/42/40/92/776424092.db2.gz PIAWXSOWKCTGGO-VIFPVBQESA-N 1 2 262.331 -1.620 20 0 CAADLO O=C(N[C@@H]1CC[N@@H+](CCF)C[C@H]1O)c1cn[nH]n1 ZINC001090389285 776426117 /nfs/dbraw/zinc/42/61/17/776426117.db2.gz WDLVIPNUQMKNFC-VXNVDRBHSA-N 1 2 257.269 -1.061 20 0 CAADLO O=C(N[C@@H]1CC[N@H+](CCF)C[C@H]1O)c1cn[nH]n1 ZINC001090389285 776426122 /nfs/dbraw/zinc/42/61/22/776426122.db2.gz WDLVIPNUQMKNFC-VXNVDRBHSA-N 1 2 257.269 -1.061 20 0 CAADLO COC(=O)[C@H](C)NC(=O)[C@H](C)[NH2+]Cc1ncnn1C ZINC001119247279 776426182 /nfs/dbraw/zinc/42/61/82/776426182.db2.gz YLENQRTZEBBKBA-YUMQZZPRSA-N 1 2 269.305 -1.029 20 0 CAADLO CC[C@@H](C(N)=O)[N@@H+]1C[C@H]2OCCN(C(=O)COC)[C@H]2C1 ZINC001082970123 776426820 /nfs/dbraw/zinc/42/68/20/776426820.db2.gz XUFROSSKJLLYPK-GARJFASQSA-N 1 2 285.344 -1.192 20 0 CAADLO CC[C@@H](C(N)=O)[N@H+]1C[C@H]2OCCN(C(=O)COC)[C@H]2C1 ZINC001082970123 776426824 /nfs/dbraw/zinc/42/68/24/776426824.db2.gz XUFROSSKJLLYPK-GARJFASQSA-N 1 2 285.344 -1.192 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+]1C[C@H]2OCCN(C(=O)COC)[C@H]2C1 ZINC001082969299 776427224 /nfs/dbraw/zinc/42/72/24/776427224.db2.gz NGCQSABGJIHVQQ-GARJFASQSA-N 1 2 285.344 -1.321 20 0 CAADLO CNC(=O)[C@H](C)[N@H+]1C[C@H]2OCCN(C(=O)COC)[C@H]2C1 ZINC001082969299 776427227 /nfs/dbraw/zinc/42/72/27/776427227.db2.gz NGCQSABGJIHVQQ-GARJFASQSA-N 1 2 285.344 -1.321 20 0 CAADLO CC[C@@H](C(N)=O)[N@@H+]1C[C@H]2OCCN(C(=O)CC(N)=O)[C@H]2C1 ZINC001083029717 776429917 /nfs/dbraw/zinc/42/99/17/776429917.db2.gz BQQFOUUZBCYCMV-LPEHRKFASA-N 1 2 298.343 -1.963 20 0 CAADLO CC[C@@H](C(N)=O)[N@H+]1C[C@H]2OCCN(C(=O)CC(N)=O)[C@H]2C1 ZINC001083029717 776429918 /nfs/dbraw/zinc/42/99/18/776429918.db2.gz BQQFOUUZBCYCMV-LPEHRKFASA-N 1 2 298.343 -1.963 20 0 CAADLO CC[N@@H+]1C[C@H]2OCCN(C(=O)C3CS(=O)(=O)C3)[C@H]2C1 ZINC001083092633 776432942 /nfs/dbraw/zinc/43/29/42/776432942.db2.gz VBRFSDSPCKJSLN-WDEREUQCSA-N 1 2 288.369 -1.038 20 0 CAADLO CC[N@H+]1C[C@H]2OCCN(C(=O)C3CS(=O)(=O)C3)[C@H]2C1 ZINC001083092633 776432944 /nfs/dbraw/zinc/43/29/44/776432944.db2.gz VBRFSDSPCKJSLN-WDEREUQCSA-N 1 2 288.369 -1.038 20 0 CAADLO CNC(=O)CC(=O)N[C@@H]1CC[N@@H+](CC(=O)NC)C[C@H]1O ZINC001099791801 776434099 /nfs/dbraw/zinc/43/40/99/776434099.db2.gz KZXHAWQCRDSGAJ-RKDXNWHRSA-N 1 2 286.332 -2.580 20 0 CAADLO CNC(=O)CC(=O)N[C@@H]1CC[N@H+](CC(=O)NC)C[C@H]1O ZINC001099791801 776434103 /nfs/dbraw/zinc/43/41/03/776434103.db2.gz KZXHAWQCRDSGAJ-RKDXNWHRSA-N 1 2 286.332 -2.580 20 0 CAADLO CNC(=O)CC(=O)N[C@@H]1CC[N@@H+](CC(=O)NC)C[C@@H]1O ZINC001099791798 776434643 /nfs/dbraw/zinc/43/46/43/776434643.db2.gz KZXHAWQCRDSGAJ-BDAKNGLRSA-N 1 2 286.332 -2.580 20 0 CAADLO CNC(=O)CC(=O)N[C@@H]1CC[N@H+](CC(=O)NC)C[C@@H]1O ZINC001099791798 776434649 /nfs/dbraw/zinc/43/46/49/776434649.db2.gz KZXHAWQCRDSGAJ-BDAKNGLRSA-N 1 2 286.332 -2.580 20 0 CAADLO CC[C@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)Cc2nc[nH]n2)[C@@H](O)C1 ZINC001083936747 776437503 /nfs/dbraw/zinc/43/75/03/776437503.db2.gz ZPQDYCJOOODESL-HLTSFMKQSA-N 1 2 296.331 -2.228 20 0 CAADLO CC[C@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)Cc2nc[nH]n2)[C@@H](O)C1 ZINC001083936747 776437509 /nfs/dbraw/zinc/43/75/09/776437509.db2.gz ZPQDYCJOOODESL-HLTSFMKQSA-N 1 2 296.331 -2.228 20 0 CAADLO CN(C)C(=O)C[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC(=O)N2)[C@@H](O)C1 ZINC001083969691 776438997 /nfs/dbraw/zinc/43/89/97/776438997.db2.gz PVSBZZBZNRXNKX-AEJSXWLSSA-N 1 2 298.343 -2.486 20 0 CAADLO CN(C)C(=O)C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC(=O)N2)[C@@H](O)C1 ZINC001083969691 776439002 /nfs/dbraw/zinc/43/90/02/776439002.db2.gz PVSBZZBZNRXNKX-AEJSXWLSSA-N 1 2 298.343 -2.486 20 0 CAADLO CNC(=O)C[N@H+]1C[C@@H](NC(=O)c2ccc(=O)[nH]c2)[C@@H](O)C1 ZINC001084021079 776439427 /nfs/dbraw/zinc/43/94/27/776439427.db2.gz JHIKXSVUBMXANY-ZJUUUORDSA-N 1 2 294.311 -1.692 20 0 CAADLO CNC(=O)C[N@@H+]1C[C@@H](NC(=O)c2ccc(=O)[nH]c2)[C@@H](O)C1 ZINC001084021079 776439430 /nfs/dbraw/zinc/43/94/30/776439430.db2.gz JHIKXSVUBMXANY-ZJUUUORDSA-N 1 2 294.311 -1.692 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)c2ccc(=O)[nH]c2)[C@@H](O)C1 ZINC001084019920 776439652 /nfs/dbraw/zinc/43/96/52/776439652.db2.gz PPHQZBFZEVECBE-QNSHHTMESA-N 1 2 294.311 -1.564 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)c2ccc(=O)[nH]c2)[C@@H](O)C1 ZINC001084019920 776439653 /nfs/dbraw/zinc/43/96/53/776439653.db2.gz PPHQZBFZEVECBE-QNSHHTMESA-N 1 2 294.311 -1.564 20 0 CAADLO CC[C@@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)Cn2cncn2)[C@@H](O)C1 ZINC001084033933 776440837 /nfs/dbraw/zinc/44/08/37/776440837.db2.gz MSRQHHVWGXXSBQ-UTLUCORTSA-N 1 2 296.331 -2.297 20 0 CAADLO CC[C@@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)Cn2cncn2)[C@@H](O)C1 ZINC001084033933 776440838 /nfs/dbraw/zinc/44/08/38/776440838.db2.gz MSRQHHVWGXXSBQ-UTLUCORTSA-N 1 2 296.331 -2.297 20 0 CAADLO CNC(=O)C[N@H+]1C[C@@H](NC(=O)Cc2ccc[nH]2)[C@@H](O)C1 ZINC001084074771 776442097 /nfs/dbraw/zinc/44/20/97/776442097.db2.gz OENKQDCDPGQKEN-MNOVXSKESA-N 1 2 280.328 -1.536 20 0 CAADLO CNC(=O)C[N@@H+]1C[C@@H](NC(=O)Cc2ccc[nH]2)[C@@H](O)C1 ZINC001084074771 776442102 /nfs/dbraw/zinc/44/21/02/776442102.db2.gz OENKQDCDPGQKEN-MNOVXSKESA-N 1 2 280.328 -1.536 20 0 CAADLO Cc1c[nH]cc1C(=O)N[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@@H]1O ZINC001084052210 776444243 /nfs/dbraw/zinc/44/42/43/776444243.db2.gz RQZZQLUASQPCGB-WOPDTQHZSA-N 1 2 292.339 -1.013 20 0 CAADLO Cc1c[nH]cc1C(=O)N[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@@H]1O ZINC001084052210 776444246 /nfs/dbraw/zinc/44/42/46/776444246.db2.gz RQZZQLUASQPCGB-WOPDTQHZSA-N 1 2 292.339 -1.013 20 0 CAADLO CC[C@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)c2ccn(C)n2)[C@@H](O)C1 ZINC001084056208 776445014 /nfs/dbraw/zinc/44/50/14/776445014.db2.gz WVVYESXMGGKKBJ-MXWKQRLJSA-N 1 2 295.343 -1.541 20 0 CAADLO CC[C@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)c2ccn(C)n2)[C@@H](O)C1 ZINC001084056208 776445017 /nfs/dbraw/zinc/44/50/17/776445017.db2.gz WVVYESXMGGKKBJ-MXWKQRLJSA-N 1 2 295.343 -1.541 20 0 CAADLO Cc1nccn1CC(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1O ZINC001084060296 776445262 /nfs/dbraw/zinc/44/52/62/776445262.db2.gz QJIBGEPMEMKPGC-MNOVXSKESA-N 1 2 268.317 -1.655 20 0 CAADLO Cc1nccn1CC(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001084060296 776445264 /nfs/dbraw/zinc/44/52/64/776445264.db2.gz QJIBGEPMEMKPGC-MNOVXSKESA-N 1 2 268.317 -1.655 20 0 CAADLO O=C(CN1CCCC1)N[C@@H]1C[N@H+](CCO)C[C@@H]1O ZINC001084058078 776445905 /nfs/dbraw/zinc/44/59/05/776445905.db2.gz JBSZBSUOWBONSY-MNOVXSKESA-N 1 2 257.334 -1.764 20 0 CAADLO O=C(CN1CCCC1)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001084058078 776445909 /nfs/dbraw/zinc/44/59/09/776445909.db2.gz JBSZBSUOWBONSY-MNOVXSKESA-N 1 2 257.334 -1.764 20 0 CAADLO O=C(N[C@@H]1C[N@@H+](CCF)C[C@@H]1O)[C@H]1CCc2nncn2C1 ZINC001084086242 776446689 /nfs/dbraw/zinc/44/66/89/776446689.db2.gz VBAFOHXXZJAPRW-AXFHLTTASA-N 1 2 297.334 -1.029 20 0 CAADLO O=C(N[C@@H]1C[N@H+](CCF)C[C@@H]1O)[C@H]1CCc2nncn2C1 ZINC001084086242 776446696 /nfs/dbraw/zinc/44/66/96/776446696.db2.gz VBAFOHXXZJAPRW-AXFHLTTASA-N 1 2 297.334 -1.029 20 0 CAADLO CNC(=O)CN1C[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H](O)C1 ZINC001084114879 776446710 /nfs/dbraw/zinc/44/67/10/776446710.db2.gz MLDXHZCSYBZPOR-ZJUUUORDSA-N 1 2 281.316 -2.210 20 0 CAADLO CN(C)C(=O)CN1C[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H](O)C1 ZINC001084115004 776446777 /nfs/dbraw/zinc/44/67/77/776446777.db2.gz UMAIUEQEJIKYLR-MNOVXSKESA-N 1 2 295.343 -1.867 20 0 CAADLO CNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)c2[nH]cnc2C)[C@@H](O)C1 ZINC001084125857 776449300 /nfs/dbraw/zinc/44/93/00/776449300.db2.gz XXTGXDADLTZBAO-AEJSXWLSSA-N 1 2 295.343 -1.372 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2[nH]cnc2C)[C@@H](O)C1 ZINC001084125857 776449305 /nfs/dbraw/zinc/44/93/05/776449305.db2.gz XXTGXDADLTZBAO-AEJSXWLSSA-N 1 2 295.343 -1.372 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)CCn3cncn3)[C@@H]2C1 ZINC001084192081 776449906 /nfs/dbraw/zinc/44/99/06/776449906.db2.gz LBFWVROBRUPCPU-GHMZBOCLSA-N 1 2 292.343 -1.314 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)CCn3cncn3)[C@@H]2C1 ZINC001084192081 776449909 /nfs/dbraw/zinc/44/99/09/776449909.db2.gz LBFWVROBRUPCPU-GHMZBOCLSA-N 1 2 292.343 -1.314 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3COCCO3)[C@@H]2C1 ZINC001084202766 776450239 /nfs/dbraw/zinc/45/02/39/776450239.db2.gz XPHLLECVFMLPIC-UTUOFQBUSA-N 1 2 297.355 -1.320 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3COCCO3)[C@@H]2C1 ZINC001084202766 776450245 /nfs/dbraw/zinc/45/02/45/776450245.db2.gz XPHLLECVFMLPIC-UTUOFQBUSA-N 1 2 297.355 -1.320 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(=O)[nH]n3)[C@@H]2C1 ZINC001084171190 776450437 /nfs/dbraw/zinc/45/04/37/776450437.db2.gz ZMJWCPHTFUQRPI-PSASIEDQSA-N 1 2 291.311 -1.186 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)c3ccc(=O)[nH]n3)[C@@H]2C1 ZINC001084171190 776450441 /nfs/dbraw/zinc/45/04/41/776450441.db2.gz ZMJWCPHTFUQRPI-PSASIEDQSA-N 1 2 291.311 -1.186 20 0 CAADLO NC(=O)CC(=O)N1C[C@H]2CC[N@@H+](CC(N)=O)C[C@H]21 ZINC001084244406 776450466 /nfs/dbraw/zinc/45/04/66/776450466.db2.gz OLMZJLGLTUBRLC-HTQZYQBOSA-N 1 2 254.290 -2.120 20 0 CAADLO NC(=O)CC(=O)N1C[C@H]2CC[N@H+](CC(N)=O)C[C@H]21 ZINC001084244406 776450471 /nfs/dbraw/zinc/45/04/71/776450471.db2.gz OLMZJLGLTUBRLC-HTQZYQBOSA-N 1 2 254.290 -2.120 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3COCCO3)[C@@H]2C1 ZINC001084202740 776450486 /nfs/dbraw/zinc/45/04/86/776450486.db2.gz WMRUDMCZVKVPEY-MXWKQRLJSA-N 1 2 283.328 -1.580 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3COCCO3)[C@@H]2C1 ZINC001084202740 776450488 /nfs/dbraw/zinc/45/04/88/776450488.db2.gz WMRUDMCZVKVPEY-MXWKQRLJSA-N 1 2 283.328 -1.580 20 0 CAADLO CN1CCOC[C@H]1C(=O)N1C[C@H]2CC[N@H+](CC(N)=O)C[C@H]21 ZINC001084293145 776451661 /nfs/dbraw/zinc/45/16/61/776451661.db2.gz YTWOROADPFQSQM-UTUOFQBUSA-N 1 2 296.371 -1.665 20 0 CAADLO CN1CCOC[C@H]1C(=O)N1C[C@H]2CC[N@@H+](CC(N)=O)C[C@H]21 ZINC001084293145 776451666 /nfs/dbraw/zinc/45/16/66/776451666.db2.gz YTWOROADPFQSQM-UTUOFQBUSA-N 1 2 296.371 -1.665 20 0 CAADLO Cn1nccc1CC(=O)N1C[C@H]2CC[N@H+](CC(N)=O)C[C@H]21 ZINC001084309577 776451714 /nfs/dbraw/zinc/45/17/14/776451714.db2.gz QTIROPPHUZFAIB-ZYHUDNBSSA-N 1 2 291.355 -1.019 20 0 CAADLO Cn1nccc1CC(=O)N1C[C@H]2CC[N@@H+](CC(N)=O)C[C@H]21 ZINC001084309577 776451717 /nfs/dbraw/zinc/45/17/17/776451717.db2.gz QTIROPPHUZFAIB-ZYHUDNBSSA-N 1 2 291.355 -1.019 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)CO[C@@H]3CCOC3)[C@@H]2C1 ZINC001084339851 776451851 /nfs/dbraw/zinc/45/18/51/776451851.db2.gz LFTBPGPQTBXYMX-IJLUTSLNSA-N 1 2 297.355 -1.190 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)CO[C@@H]3CCOC3)[C@@H]2C1 ZINC001084339851 776451856 /nfs/dbraw/zinc/45/18/56/776451856.db2.gz LFTBPGPQTBXYMX-IJLUTSLNSA-N 1 2 297.355 -1.190 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)CN3CN=NC3=O)[C@@H]2C1 ZINC001084292182 776451877 /nfs/dbraw/zinc/45/18/77/776451877.db2.gz XWFNTMQCCXSIGL-RKDXNWHRSA-N 1 2 294.315 -1.998 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)CN3CN=NC3=O)[C@@H]2C1 ZINC001084292182 776451879 /nfs/dbraw/zinc/45/18/79/776451879.db2.gz XWFNTMQCCXSIGL-RKDXNWHRSA-N 1 2 294.315 -1.998 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3COC(=O)N3)[C@@H]2C1 ZINC001084318098 776451915 /nfs/dbraw/zinc/45/19/15/776451915.db2.gz JDVJAHDIPBECEQ-KXUCPTDWSA-N 1 2 296.327 -1.627 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3COC(=O)N3)[C@@H]2C1 ZINC001084318098 776451917 /nfs/dbraw/zinc/45/19/17/776451917.db2.gz JDVJAHDIPBECEQ-KXUCPTDWSA-N 1 2 296.327 -1.627 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CC[C@@H]2CN(C(=O)c3cnnn3C)[C@@H]2C1 ZINC001084315503 776451991 /nfs/dbraw/zinc/45/19/91/776451991.db2.gz AWNKSKMYBGSAME-FXPVBKGRSA-N 1 2 292.343 -1.165 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CC[C@@H]2CN(C(=O)c3cnnn3C)[C@@H]2C1 ZINC001084315503 776451997 /nfs/dbraw/zinc/45/19/97/776451997.db2.gz AWNKSKMYBGSAME-FXPVBKGRSA-N 1 2 292.343 -1.165 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)CCn3ccnn3)[C@@H]2C1 ZINC001084307456 776452125 /nfs/dbraw/zinc/45/21/25/776452125.db2.gz GTVONBQIBYOVMU-GHMZBOCLSA-N 1 2 292.343 -1.314 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C[C@@H]3COC(=O)C3)[C@@H]2C1 ZINC001084279924 776452043 /nfs/dbraw/zinc/45/20/43/776452043.db2.gz WPBZPACMEUTOHD-HBNTYKKESA-N 1 2 295.339 -1.042 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C[C@@H]3COC(=O)C3)[C@@H]2C1 ZINC001084279924 776452047 /nfs/dbraw/zinc/45/20/47/776452047.db2.gz WPBZPACMEUTOHD-HBNTYKKESA-N 1 2 295.339 -1.042 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)CCn3ccnn3)[C@@H]2C1 ZINC001084307456 776452121 /nfs/dbraw/zinc/45/21/21/776452121.db2.gz GTVONBQIBYOVMU-GHMZBOCLSA-N 1 2 292.343 -1.314 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)c3cnnn3C)[C@@H]2C1 ZINC001084315263 776452227 /nfs/dbraw/zinc/45/22/27/776452227.db2.gz WSMJAYVGABGJPS-MWLCHTKSSA-N 1 2 292.343 -1.293 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)c3cnnn3C)[C@@H]2C1 ZINC001084315263 776452230 /nfs/dbraw/zinc/45/22/30/776452230.db2.gz WSMJAYVGABGJPS-MWLCHTKSSA-N 1 2 292.343 -1.293 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CC[C@@H]2CN(C(=O)c3cnnn3C)[C@@H]2C1 ZINC001084315504 776452521 /nfs/dbraw/zinc/45/25/21/776452521.db2.gz AWNKSKMYBGSAME-IQJOONFLSA-N 1 2 292.343 -1.165 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CC[C@@H]2CN(C(=O)c3cnnn3C)[C@@H]2C1 ZINC001084315504 776452525 /nfs/dbraw/zinc/45/25/25/776452525.db2.gz AWNKSKMYBGSAME-IQJOONFLSA-N 1 2 292.343 -1.165 20 0 CAADLO C[C@@H](C(=O)N1C[C@H]2CC[N@H+](CC(N)=O)C[C@H]21)n1cncn1 ZINC001084292124 776452735 /nfs/dbraw/zinc/45/27/35/776452735.db2.gz VQKVKUQJIRBBBX-HBNTYKKESA-N 1 2 292.343 -1.143 20 0 CAADLO C[C@@H](C(=O)N1C[C@H]2CC[N@@H+](CC(N)=O)C[C@H]21)n1cncn1 ZINC001084292124 776452739 /nfs/dbraw/zinc/45/27/39/776452739.db2.gz VQKVKUQJIRBBBX-HBNTYKKESA-N 1 2 292.343 -1.143 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC(=O)NC3)[C@@H]2C1 ZINC001084474145 776453719 /nfs/dbraw/zinc/45/37/19/776453719.db2.gz XYIOYPQIVQTLCX-GMTAPVOTSA-N 1 2 294.355 -1.469 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC(=O)NC3)[C@@H]2C1 ZINC001084474145 776453722 /nfs/dbraw/zinc/45/37/22/776453722.db2.gz XYIOYPQIVQTLCX-GMTAPVOTSA-N 1 2 294.355 -1.469 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)C(N)=O)[C@@H]2C1 ZINC001084426098 776453769 /nfs/dbraw/zinc/45/37/69/776453769.db2.gz OCXIIQPIODHPFK-NXEZZACHSA-N 1 2 296.371 -1.223 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)C(N)=O)[C@@H]2C1 ZINC001084426098 776453772 /nfs/dbraw/zinc/45/37/72/776453772.db2.gz OCXIIQPIODHPFK-NXEZZACHSA-N 1 2 296.371 -1.223 20 0 CAADLO O=C(c1cn[nH]n1)N1C[C@H]2CC[N@@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001084479368 776453813 /nfs/dbraw/zinc/45/38/13/776453813.db2.gz DXISRRXVCWNROU-DVVUODLYSA-N 1 2 290.327 -1.161 20 0 CAADLO O=C(c1cn[nH]n1)N1C[C@H]2CC[N@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001084479368 776453814 /nfs/dbraw/zinc/45/38/14/776453814.db2.gz DXISRRXVCWNROU-DVVUODLYSA-N 1 2 290.327 -1.161 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCNC3=O)[C@@H]2C1 ZINC001084427705 776453865 /nfs/dbraw/zinc/45/38/65/776453865.db2.gz QWCDBPNKVSIBML-GMTAPVOTSA-N 1 2 294.355 -1.469 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCNC3=O)[C@@H]2C1 ZINC001084427705 776453867 /nfs/dbraw/zinc/45/38/67/776453867.db2.gz QWCDBPNKVSIBML-GMTAPVOTSA-N 1 2 294.355 -1.469 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)Cn3nccn3)[C@@H]2C1 ZINC001084376011 776453899 /nfs/dbraw/zinc/45/38/99/776453899.db2.gz FPUUMALEFDRLMA-NXEZZACHSA-N 1 2 278.316 -1.704 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)Cn3nccn3)[C@@H]2C1 ZINC001084376011 776453902 /nfs/dbraw/zinc/45/39/02/776453902.db2.gz FPUUMALEFDRLMA-NXEZZACHSA-N 1 2 278.316 -1.704 20 0 CAADLO CC(C)(C(N)=O)C(=O)N1C[C@H]2CC[N@H+](CC(N)=O)C[C@H]21 ZINC001084425960 776454133 /nfs/dbraw/zinc/45/41/33/776454133.db2.gz HERZABUEJQECQU-RKDXNWHRSA-N 1 2 282.344 -1.484 20 0 CAADLO CC(C)(C(N)=O)C(=O)N1C[C@H]2CC[N@@H+](CC(N)=O)C[C@H]21 ZINC001084425960 776454138 /nfs/dbraw/zinc/45/41/38/776454138.db2.gz HERZABUEJQECQU-RKDXNWHRSA-N 1 2 282.344 -1.484 20 0 CAADLO Cn1c(C(=O)N2C[C@H]3CC[N@H+](CC(N)=O)C[C@H]32)c[nH]c1=O ZINC001084577735 776454983 /nfs/dbraw/zinc/45/49/83/776454983.db2.gz VNQVFUPLYUZBRH-PSASIEDQSA-N 1 2 293.327 -1.243 20 0 CAADLO Cn1c(C(=O)N2C[C@H]3CC[N@@H+](CC(N)=O)C[C@H]32)c[nH]c1=O ZINC001084577735 776454984 /nfs/dbraw/zinc/45/49/84/776454984.db2.gz VNQVFUPLYUZBRH-PSASIEDQSA-N 1 2 293.327 -1.243 20 0 CAADLO Cn1cc(C[N@@H+]2CC[C@@H]3CN(C(=O)C(N)=O)[C@@H]3C2)cn1 ZINC001084622185 776455066 /nfs/dbraw/zinc/45/50/66/776455066.db2.gz MEIFOYHLCFJVSO-GHMZBOCLSA-N 1 2 277.328 -1.062 20 0 CAADLO Cn1cc(C[N@H+]2CC[C@@H]3CN(C(=O)C(N)=O)[C@@H]3C2)cn1 ZINC001084622185 776455068 /nfs/dbraw/zinc/45/50/68/776455068.db2.gz MEIFOYHLCFJVSO-GHMZBOCLSA-N 1 2 277.328 -1.062 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCNC3=O)[C@@H]2C1 ZINC001084575670 776455079 /nfs/dbraw/zinc/45/50/79/776455079.db2.gz MYUZTAQJNOEVSY-GMTAPVOTSA-N 1 2 294.355 -1.599 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCNC3=O)[C@@H]2C1 ZINC001084575670 776455081 /nfs/dbraw/zinc/45/50/81/776455081.db2.gz MYUZTAQJNOEVSY-GMTAPVOTSA-N 1 2 294.355 -1.599 20 0 CAADLO CN1C(=O)CC[C@H]1C(=O)N1C[C@H]2CC[N@H+](CC(N)=O)C[C@H]21 ZINC001084585118 776455125 /nfs/dbraw/zinc/45/51/25/776455125.db2.gz WYMAPIWSKFJQJW-OUAUKWLOSA-N 1 2 294.355 -1.375 20 0 CAADLO CN1C(=O)CC[C@H]1C(=O)N1C[C@H]2CC[N@@H+](CC(N)=O)C[C@H]21 ZINC001084585118 776455132 /nfs/dbraw/zinc/45/51/32/776455132.db2.gz WYMAPIWSKFJQJW-OUAUKWLOSA-N 1 2 294.355 -1.375 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CC[C@@H]2CN(C(=O)c3nnn(C)n3)[C@@H]2C1 ZINC001084587651 776455149 /nfs/dbraw/zinc/45/51/49/776455149.db2.gz HVWQBYHPGFSATI-IWSPIJDZSA-N 1 2 293.331 -1.770 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CC[C@@H]2CN(C(=O)c3nnn(C)n3)[C@@H]2C1 ZINC001084587651 776455155 /nfs/dbraw/zinc/45/51/55/776455155.db2.gz HVWQBYHPGFSATI-IWSPIJDZSA-N 1 2 293.331 -1.770 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CNC(=O)N3)[C@@H]2C1 ZINC001084620230 776455217 /nfs/dbraw/zinc/45/52/17/776455217.db2.gz DFKRPEBQHPCIDY-OPRDCNLKSA-N 1 2 295.343 -2.054 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CNC(=O)N3)[C@@H]2C1 ZINC001084620230 776455222 /nfs/dbraw/zinc/45/52/22/776455222.db2.gz DFKRPEBQHPCIDY-OPRDCNLKSA-N 1 2 295.343 -2.054 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CNC(=O)N3)[C@@H]2C1 ZINC001084621256 776455409 /nfs/dbraw/zinc/45/54/09/776455409.db2.gz GEVQQPGUCBHHAU-IWSPIJDZSA-N 1 2 281.316 -2.314 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CNC(=O)N3)[C@@H]2C1 ZINC001084621256 776455418 /nfs/dbraw/zinc/45/54/18/776455418.db2.gz GEVQQPGUCBHHAU-IWSPIJDZSA-N 1 2 281.316 -2.314 20 0 CAADLO CN1C[C@H](C(=O)N2C[C@H]3CC[N@H+](CC(N)=O)C[C@H]32)NC1=O ZINC001084577190 776455940 /nfs/dbraw/zinc/45/59/40/776455940.db2.gz CSMMAGFBIDWYHY-OPRDCNLKSA-N 1 2 295.343 -1.972 20 0 CAADLO CN1C[C@H](C(=O)N2C[C@H]3CC[N@@H+](CC(N)=O)C[C@H]32)NC1=O ZINC001084577190 776455946 /nfs/dbraw/zinc/45/59/46/776455946.db2.gz CSMMAGFBIDWYHY-OPRDCNLKSA-N 1 2 295.343 -1.972 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCNC3=O)[C@@H]2C1 ZINC001084575904 776455987 /nfs/dbraw/zinc/45/59/87/776455987.db2.gz UMKICFLDDAIFKN-KXUCPTDWSA-N 1 2 280.328 -1.860 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCNC3=O)[C@@H]2C1 ZINC001084575904 776455994 /nfs/dbraw/zinc/45/59/94/776455994.db2.gz UMKICFLDDAIFKN-KXUCPTDWSA-N 1 2 280.328 -1.860 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3[C@@H]4COC[C@@H]43)[C@@H]2C1 ZINC001084588390 776456021 /nfs/dbraw/zinc/45/60/21/776456021.db2.gz VXGHLEJXSVUOOU-HMUNZLOLSA-N 1 2 279.340 -1.103 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3[C@@H]4COC[C@@H]43)[C@@H]2C1 ZINC001084588390 776456024 /nfs/dbraw/zinc/45/60/24/776456024.db2.gz VXGHLEJXSVUOOU-HMUNZLOLSA-N 1 2 279.340 -1.103 20 0 CAADLO CN1CC[C@H]([N@@H+]2CC[C@@H]3CN(C(=O)C(N)=O)[C@@H]3C2)C1=O ZINC001084624239 776456489 /nfs/dbraw/zinc/45/64/89/776456489.db2.gz JIFXAWOAUYZWSE-KXUCPTDWSA-N 1 2 280.328 -1.765 20 0 CAADLO CN1CC[C@H]([N@H+]2CC[C@@H]3CN(C(=O)C(N)=O)[C@@H]3C2)C1=O ZINC001084624239 776456496 /nfs/dbraw/zinc/45/64/96/776456496.db2.gz JIFXAWOAUYZWSE-KXUCPTDWSA-N 1 2 280.328 -1.765 20 0 CAADLO CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2ncc[nH]2)[C@@H](O)C1 ZINC001099810463 776456913 /nfs/dbraw/zinc/45/69/13/776456913.db2.gz RGAFQAJCZYYTHV-UWVGGRQHSA-N 1 2 295.343 -1.289 20 0 CAADLO CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2ncc[nH]2)[C@@H](O)C1 ZINC001099810463 776456921 /nfs/dbraw/zinc/45/69/21/776456921.db2.gz RGAFQAJCZYYTHV-UWVGGRQHSA-N 1 2 295.343 -1.289 20 0 CAADLO CNC(=O)[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)C(N)=O)[C@@H]2C1 ZINC001084624547 776457124 /nfs/dbraw/zinc/45/71/24/776457124.db2.gz UELYDQOFAQBCDL-DJLDLDEBSA-N 1 2 268.317 -1.861 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CC[C@@H]2CN(C(=O)C(N)=O)[C@@H]2C1 ZINC001084624662 776457004 /nfs/dbraw/zinc/45/70/04/776457004.db2.gz ZGTDFUYTVRQPGV-XLPZGREQSA-N 1 2 254.290 -2.122 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CC[C@@H]2CN(C(=O)C(N)=O)[C@@H]2C1 ZINC001084624662 776457009 /nfs/dbraw/zinc/45/70/09/776457009.db2.gz ZGTDFUYTVRQPGV-XLPZGREQSA-N 1 2 254.290 -2.122 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)C(N)=O)[C@@H]2C1 ZINC001084624547 776457119 /nfs/dbraw/zinc/45/71/19/776457119.db2.gz UELYDQOFAQBCDL-DJLDLDEBSA-N 1 2 268.317 -1.861 20 0 CAADLO NC(=O)C(=O)N1C[C@H]2CC[N@@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001084623615 776457149 /nfs/dbraw/zinc/45/71/49/776457149.db2.gz ODRBSOKOBGMLLB-IWSPIJDZSA-N 1 2 266.301 -2.107 20 0 CAADLO NC(=O)C(=O)N1C[C@H]2CC[N@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001084623615 776457154 /nfs/dbraw/zinc/45/71/54/776457154.db2.gz ODRBSOKOBGMLLB-IWSPIJDZSA-N 1 2 266.301 -2.107 20 0 CAADLO CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2ncc[nH]2)[C@H](O)C1 ZINC001099810464 776457252 /nfs/dbraw/zinc/45/72/52/776457252.db2.gz RGAFQAJCZYYTHV-VHSXEESVSA-N 1 2 295.343 -1.289 20 0 CAADLO CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2ncc[nH]2)[C@H](O)C1 ZINC001099810464 776457254 /nfs/dbraw/zinc/45/72/54/776457254.db2.gz RGAFQAJCZYYTHV-VHSXEESVSA-N 1 2 295.343 -1.289 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)C(N)=O)[C@@H]2C1 ZINC001084624548 776457333 /nfs/dbraw/zinc/45/73/33/776457333.db2.gz UELYDQOFAQBCDL-IWSPIJDZSA-N 1 2 268.317 -1.861 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+]1CC[C@@H]2CN(C(=O)C(N)=O)[C@@H]2C1 ZINC001084624548 776457335 /nfs/dbraw/zinc/45/73/35/776457335.db2.gz UELYDQOFAQBCDL-IWSPIJDZSA-N 1 2 268.317 -1.861 20 0 CAADLO CC[C@H](C(N)=O)[N@@H+]1CC[C@@H]2CN(C(=O)C(N)=O)[C@@H]2C1 ZINC001084624671 776457341 /nfs/dbraw/zinc/45/73/41/776457341.db2.gz ZUOHNUAQEDYEFI-IWSPIJDZSA-N 1 2 268.317 -1.732 20 0 CAADLO CC[C@H](C(N)=O)[N@H+]1CC[C@@H]2CN(C(=O)C(N)=O)[C@@H]2C1 ZINC001084624671 776457343 /nfs/dbraw/zinc/45/73/43/776457343.db2.gz ZUOHNUAQEDYEFI-IWSPIJDZSA-N 1 2 268.317 -1.732 20 0 CAADLO C[C@@]1(C(=O)N2C[C@H]3CC[N@H+](CC(N)=O)C[C@H]32)CCC(=O)N1 ZINC001084635686 776457391 /nfs/dbraw/zinc/45/73/91/776457391.db2.gz HKDUGGCNSBLESO-RULNRJAQSA-N 1 2 294.355 -1.327 20 0 CAADLO C[C@@]1(C(=O)N2C[C@H]3CC[N@@H+](CC(N)=O)C[C@H]32)CCC(=O)N1 ZINC001084635686 776457393 /nfs/dbraw/zinc/45/73/93/776457393.db2.gz HKDUGGCNSBLESO-RULNRJAQSA-N 1 2 294.355 -1.327 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C[C@@H]3CCC(=O)N3)[C@@H]2C1 ZINC001084717747 776458941 /nfs/dbraw/zinc/45/89/41/776458941.db2.gz IJEWBIPHODDJEJ-OUAUKWLOSA-N 1 2 294.355 -1.327 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C[C@@H]3CCC(=O)N3)[C@@H]2C1 ZINC001084717747 776458943 /nfs/dbraw/zinc/45/89/43/776458943.db2.gz IJEWBIPHODDJEJ-OUAUKWLOSA-N 1 2 294.355 -1.327 20 0 CAADLO Cc1nonc1CC(=O)N1C[C@H]2CC[N@H+](CC(N)=O)C[C@H]21 ZINC001084749180 776459335 /nfs/dbraw/zinc/45/93/35/776459335.db2.gz CXMYVJVVIIPZMQ-MWLCHTKSSA-N 1 2 293.327 -1.061 20 0 CAADLO Cc1nonc1CC(=O)N1C[C@H]2CC[N@@H+](CC(N)=O)C[C@H]21 ZINC001084749180 776459339 /nfs/dbraw/zinc/45/93/39/776459339.db2.gz CXMYVJVVIIPZMQ-MWLCHTKSSA-N 1 2 293.327 -1.061 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CC2(O)CCC2)[C@H](O)C1 ZINC001099824492 776459385 /nfs/dbraw/zinc/45/93/85/776459385.db2.gz UJVRCSFSIXSEPP-GHMZBOCLSA-N 1 2 299.371 -1.411 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)CC2(O)CCC2)[C@H](O)C1 ZINC001099824492 776459390 /nfs/dbraw/zinc/45/93/90/776459390.db2.gz UJVRCSFSIXSEPP-GHMZBOCLSA-N 1 2 299.371 -1.411 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)Cn3cncn3)[C@@H]2C1 ZINC001084817137 776460309 /nfs/dbraw/zinc/46/03/09/776460309.db2.gz LMLYKQPYJQOKHB-NXEZZACHSA-N 1 2 278.316 -1.704 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)Cn3cncn3)[C@@H]2C1 ZINC001084817137 776460311 /nfs/dbraw/zinc/46/03/11/776460311.db2.gz LMLYKQPYJQOKHB-NXEZZACHSA-N 1 2 278.316 -1.704 20 0 CAADLO Cn1cncc1CC(=O)N1C[C@H]2CC[N@H+](CC(N)=O)C[C@H]21 ZINC001084774797 776460415 /nfs/dbraw/zinc/46/04/15/776460415.db2.gz FHUCVIVSLUGEOF-ZYHUDNBSSA-N 1 2 291.355 -1.019 20 0 CAADLO Cn1cncc1CC(=O)N1C[C@H]2CC[N@@H+](CC(N)=O)C[C@H]21 ZINC001084774797 776460424 /nfs/dbraw/zinc/46/04/24/776460424.db2.gz FHUCVIVSLUGEOF-ZYHUDNBSSA-N 1 2 291.355 -1.019 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CC[C@@H]2CN(C(=O)Cc3nnc[nH]3)[C@@H]2C1 ZINC001084766282 776460625 /nfs/dbraw/zinc/46/06/25/776460625.db2.gz QRMMRRPOGDYUNR-OPRDCNLKSA-N 1 2 292.343 -1.246 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CC[C@@H]2CN(C(=O)Cc3nnc[nH]3)[C@@H]2C1 ZINC001084766282 776460634 /nfs/dbraw/zinc/46/06/34/776460634.db2.gz QRMMRRPOGDYUNR-OPRDCNLKSA-N 1 2 292.343 -1.246 20 0 CAADLO Cn1cncc1C(=O)N[C@@H]1CC[N@H+](CC(N)=O)C[C@@H]1O ZINC001090401538 776461320 /nfs/dbraw/zinc/46/13/20/776461320.db2.gz CHDZENXHLXYZER-SCZZXKLOSA-N 1 2 281.316 -1.930 20 0 CAADLO Cn1cncc1C(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C[C@@H]1O ZINC001090401538 776461324 /nfs/dbraw/zinc/46/13/24/776461324.db2.gz CHDZENXHLXYZER-SCZZXKLOSA-N 1 2 281.316 -1.930 20 0 CAADLO NC(=O)CN1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3)[C@@H]2C1 ZINC001084866570 776462221 /nfs/dbraw/zinc/46/22/21/776462221.db2.gz XDLXOTMSYSZNFW-GHMZBOCLSA-N 1 2 277.328 -1.099 20 0 CAADLO C[C@H](O)C(=O)N1CC[NH+](C[C@H]2COCCO2)CC1 ZINC000820621469 776463679 /nfs/dbraw/zinc/46/36/79/776463679.db2.gz JRCPCWRCTOZSGE-QWRGUYRKSA-N 1 2 258.318 -1.073 20 0 CAADLO COC(=O)[C@@H]1C[C@H](O)C[N@@H+]1C[C@@H](O)C1(O)CCC1 ZINC001119845102 776463764 /nfs/dbraw/zinc/46/37/64/776463764.db2.gz KDMUFZJQZFZUGI-LPEHRKFASA-N 1 2 259.302 -1.130 20 0 CAADLO COC(=O)[C@@H]1C[C@H](O)C[N@H+]1C[C@@H](O)C1(O)CCC1 ZINC001119845102 776463772 /nfs/dbraw/zinc/46/37/72/776463772.db2.gz KDMUFZJQZFZUGI-LPEHRKFASA-N 1 2 259.302 -1.130 20 0 CAADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1OCCN(C)C1=O ZINC000821777755 776465960 /nfs/dbraw/zinc/46/59/60/776465960.db2.gz BYEIJFFTWZAZED-QWRGUYRKSA-N 1 2 285.344 -1.320 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+]1CC[C@@H]1CN(C)C(=O)CC(N)=O ZINC001231402535 776470645 /nfs/dbraw/zinc/47/06/45/776470645.db2.gz VIXVSNVUILUPFN-RKDXNWHRSA-N 1 2 270.333 -1.471 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+]1CC[C@@H]1CN(C)C(=O)CC(N)=O ZINC001231402535 776470648 /nfs/dbraw/zinc/47/06/48/776470648.db2.gz VIXVSNVUILUPFN-RKDXNWHRSA-N 1 2 270.333 -1.471 20 0 CAADLO COCC(=O)NC[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CCO1 ZINC001065520876 776473146 /nfs/dbraw/zinc/47/31/46/776473146.db2.gz DXYYLRMXGXVAQX-JTQLQIEISA-N 1 2 296.327 -1.058 20 0 CAADLO NC(=O)C(=O)N1CCO[C@@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001065556343 776475141 /nfs/dbraw/zinc/47/51/41/776475141.db2.gz TVFKQHOJFFHTLC-VIFPVBQESA-N 1 2 295.299 -2.288 20 0 CAADLO CC(=O)NCC(=O)N1CC[NH+]([C@@H]2CCN(C(C)=O)C2)CC1 ZINC001065681052 776477225 /nfs/dbraw/zinc/47/72/25/776477225.db2.gz PSUDFJFCIGAEOS-CYBMUJFWSA-N 1 2 296.371 -1.113 20 0 CAADLO COCC(=O)NC[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CCO1 ZINC001065676095 776477823 /nfs/dbraw/zinc/47/78/23/776477823.db2.gz VWBDVBACDPFMIQ-NSHDSACASA-N 1 2 296.327 -1.058 20 0 CAADLO CC(=O)NCC(=O)N1CC[C@@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001065683053 776478041 /nfs/dbraw/zinc/47/80/41/776478041.db2.gz SDHMRFUKXYXQPZ-CYBMUJFWSA-N 1 2 296.371 -1.113 20 0 CAADLO COCCn1cc(C(=O)N2CC[N@H+](C)C[C@H]2CO)nn1 ZINC000824464116 776480818 /nfs/dbraw/zinc/48/08/18/776480818.db2.gz ZGEVJOZHWSZCFN-JTQLQIEISA-N 1 2 283.332 -1.327 20 0 CAADLO COCCn1cc(C(=O)N2CC[N@@H+](C)C[C@H]2CO)nn1 ZINC000824464116 776480820 /nfs/dbraw/zinc/48/08/20/776480820.db2.gz ZGEVJOZHWSZCFN-JTQLQIEISA-N 1 2 283.332 -1.327 20 0 CAADLO CCN(CC(=O)NC)C(=O)CN1CC[NH2+]CC1=O ZINC000705962807 776482614 /nfs/dbraw/zinc/48/26/14/776482614.db2.gz MBFMTQXQDAZTQR-UHFFFAOYSA-N 1 2 256.306 -1.987 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)C2(C(N)=O)CC2)[C@H](O)C1 ZINC001099982197 776486617 /nfs/dbraw/zinc/48/66/17/776486617.db2.gz YZUILXQYFXJKPG-JGVFFNPUSA-N 1 2 284.316 -2.711 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)C2(C(N)=O)CC2)[C@H](O)C1 ZINC001099982197 776486622 /nfs/dbraw/zinc/48/66/22/776486622.db2.gz YZUILXQYFXJKPG-JGVFFNPUSA-N 1 2 284.316 -2.711 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)C1CN(C(C)=O)C1 ZINC001085563873 776488008 /nfs/dbraw/zinc/48/80/08/776488008.db2.gz YHLIQZBKKZKHDW-LBPRGKRZSA-N 1 2 296.371 -1.257 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)C1CN(C(C)=O)C1 ZINC001085563873 776488014 /nfs/dbraw/zinc/48/80/14/776488014.db2.gz YHLIQZBKKZKHDW-LBPRGKRZSA-N 1 2 296.371 -1.257 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cc(=O)n(C)o1 ZINC001085569479 776488102 /nfs/dbraw/zinc/48/81/02/776488102.db2.gz KNSRCVZAQMOQPM-RKDXNWHRSA-N 1 2 296.327 -1.002 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CC[C@@H]1CN(C)C(=O)c1cc(=O)n(C)o1 ZINC001085569479 776488106 /nfs/dbraw/zinc/48/81/06/776488106.db2.gz KNSRCVZAQMOQPM-RKDXNWHRSA-N 1 2 296.327 -1.002 20 0 CAADLO CN(C[C@H]1CC[N@@H+]1CCCO)C(=O)C1CS(=O)(=O)C1 ZINC001085615442 776489936 /nfs/dbraw/zinc/48/99/36/776489936.db2.gz MPMCQHTZOXTGIU-LLVKDONJSA-N 1 2 290.385 -1.054 20 0 CAADLO CN(C[C@H]1CC[N@H+]1CCCO)C(=O)C1CS(=O)(=O)C1 ZINC001085615442 776489939 /nfs/dbraw/zinc/48/99/39/776489939.db2.gz MPMCQHTZOXTGIU-LLVKDONJSA-N 1 2 290.385 -1.054 20 0 CAADLO C[C@H](O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)C1CS(=O)(=O)C1 ZINC001085615772 776490016 /nfs/dbraw/zinc/49/00/16/776490016.db2.gz VITIYJXYIQKLRA-GXSJLCMTSA-N 1 2 290.385 -1.056 20 0 CAADLO C[C@H](O)C[N@H+]1CC[C@@H]1CN(C)C(=O)C1CS(=O)(=O)C1 ZINC001085615772 776490017 /nfs/dbraw/zinc/49/00/17/776490017.db2.gz VITIYJXYIQKLRA-GXSJLCMTSA-N 1 2 290.385 -1.056 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCCNC1=O ZINC001085652866 776490276 /nfs/dbraw/zinc/49/02/76/776490276.db2.gz HLLACUIRXPURTI-WDEREUQCSA-N 1 2 296.371 -1.209 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCCNC1=O ZINC001085652866 776490281 /nfs/dbraw/zinc/49/02/81/776490281.db2.gz HLLACUIRXPURTI-WDEREUQCSA-N 1 2 296.371 -1.209 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CC(=O)N(C)C1 ZINC001085626834 776490407 /nfs/dbraw/zinc/49/04/07/776490407.db2.gz UJGCAWGGPUIGOC-MNOVXSKESA-N 1 2 296.371 -1.257 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CC(=O)N(C)C1 ZINC001085626834 776490409 /nfs/dbraw/zinc/49/04/09/776490409.db2.gz UJGCAWGGPUIGOC-MNOVXSKESA-N 1 2 296.371 -1.257 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CC[C@H]1CN(C)C(=O)c1c[nH]c(=O)cn1 ZINC001085788290 776492490 /nfs/dbraw/zinc/49/24/90/776492490.db2.gz HQPRASXNJJWJNO-IUCAKERBSA-N 1 2 293.327 -1.210 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CC[C@H]1CN(C)C(=O)c1c[nH]c(=O)cn1 ZINC001085788290 776492495 /nfs/dbraw/zinc/49/24/95/776492495.db2.gz HQPRASXNJJWJNO-IUCAKERBSA-N 1 2 293.327 -1.210 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCN(C)C1=O ZINC001085770101 776493274 /nfs/dbraw/zinc/49/32/74/776493274.db2.gz YMMOIRSRTFIXTJ-WDEREUQCSA-N 1 2 296.371 -1.257 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCN(C)C1=O ZINC001085770101 776493277 /nfs/dbraw/zinc/49/32/77/776493277.db2.gz YMMOIRSRTFIXTJ-WDEREUQCSA-N 1 2 296.371 -1.257 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCNC1=O ZINC001085763161 776493299 /nfs/dbraw/zinc/49/32/99/776493299.db2.gz WZLJTUWRSZOLCD-UWVGGRQHSA-N 1 2 282.344 -1.599 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCNC1=O ZINC001085763161 776493302 /nfs/dbraw/zinc/49/33/02/776493302.db2.gz WZLJTUWRSZOLCD-UWVGGRQHSA-N 1 2 282.344 -1.599 20 0 CAADLO CN(C)C(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCNC1=O ZINC001085762262 776493340 /nfs/dbraw/zinc/49/33/40/776493340.db2.gz DYXPSOPQUQIODI-QWRGUYRKSA-N 1 2 296.371 -1.257 20 0 CAADLO CN(C)C(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCNC1=O ZINC001085762262 776493341 /nfs/dbraw/zinc/49/33/41/776493341.db2.gz DYXPSOPQUQIODI-QWRGUYRKSA-N 1 2 296.371 -1.257 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001085820771 776494214 /nfs/dbraw/zinc/49/42/14/776494214.db2.gz JMDQFCSWQKYZKB-BBBLOLIVSA-N 1 2 282.344 -1.614 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001085820771 776494220 /nfs/dbraw/zinc/49/42/20/776494220.db2.gz JMDQFCSWQKYZKB-BBBLOLIVSA-N 1 2 282.344 -1.614 20 0 CAADLO CN(C)C(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CNC(=O)N1 ZINC001085794237 776494505 /nfs/dbraw/zinc/49/45/05/776494505.db2.gz WESNEMUFNXRQCG-UWVGGRQHSA-N 1 2 297.359 -1.711 20 0 CAADLO CN(C)C(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CNC(=O)N1 ZINC001085794237 776494508 /nfs/dbraw/zinc/49/45/08/776494508.db2.gz WESNEMUFNXRQCG-UWVGGRQHSA-N 1 2 297.359 -1.711 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001085820770 776494637 /nfs/dbraw/zinc/49/46/37/776494637.db2.gz JMDQFCSWQKYZKB-AEJSXWLSSA-N 1 2 282.344 -1.614 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001085820770 776494638 /nfs/dbraw/zinc/49/46/38/776494638.db2.gz JMDQFCSWQKYZKB-AEJSXWLSSA-N 1 2 282.344 -1.614 20 0 CAADLO CN(C)C(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCC(=O)N1 ZINC001085933756 776495412 /nfs/dbraw/zinc/49/54/12/776495412.db2.gz KEWZSQRAJRTLBO-MNOVXSKESA-N 1 2 296.371 -1.114 20 0 CAADLO CN(C)C(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCC(=O)N1 ZINC001085933756 776495418 /nfs/dbraw/zinc/49/54/18/776495418.db2.gz KEWZSQRAJRTLBO-MNOVXSKESA-N 1 2 296.371 -1.114 20 0 CAADLO O=C(CCc1cnn[nH]1)N[C@@H]1CC[N@@H+](CCO)C[C@H]1O ZINC001100011571 776495772 /nfs/dbraw/zinc/49/57/72/776495772.db2.gz REJWWKYOFQGKPC-GHMZBOCLSA-N 1 2 283.332 -1.719 20 0 CAADLO O=C(CCc1cnn[nH]1)N[C@@H]1CC[N@H+](CCO)C[C@H]1O ZINC001100011571 776495773 /nfs/dbraw/zinc/49/57/73/776495773.db2.gz REJWWKYOFQGKPC-GHMZBOCLSA-N 1 2 283.332 -1.719 20 0 CAADLO CN(C)C(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCC(=O)N1 ZINC001085933757 776495798 /nfs/dbraw/zinc/49/57/98/776495798.db2.gz KEWZSQRAJRTLBO-QWRGUYRKSA-N 1 2 296.371 -1.114 20 0 CAADLO CN(C)C(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCC(=O)N1 ZINC001085933757 776495802 /nfs/dbraw/zinc/49/58/02/776495802.db2.gz KEWZSQRAJRTLBO-QWRGUYRKSA-N 1 2 296.371 -1.114 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cncn2C)[C@@H](O)C1 ZINC001090403930 776499996 /nfs/dbraw/zinc/49/99/96/776499996.db2.gz QHRMRNIAVYONFD-ONGXEEELSA-N 1 2 295.343 -1.669 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cncn2C)[C@@H](O)C1 ZINC001090403930 776499999 /nfs/dbraw/zinc/49/99/99/776499999.db2.gz QHRMRNIAVYONFD-ONGXEEELSA-N 1 2 295.343 -1.669 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)CCc2cn[nH]c2)[C@@H](O)C1 ZINC001100031538 776500134 /nfs/dbraw/zinc/50/01/34/776500134.db2.gz GXMORYWMUNZPJP-QWRGUYRKSA-N 1 2 295.343 -1.621 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)CCc2cn[nH]c2)[C@@H](O)C1 ZINC001100031538 776500137 /nfs/dbraw/zinc/50/01/37/776500137.db2.gz GXMORYWMUNZPJP-QWRGUYRKSA-N 1 2 295.343 -1.621 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cncn2C)[C@H](O)C1 ZINC001090403929 776500173 /nfs/dbraw/zinc/50/01/73/776500173.db2.gz QHRMRNIAVYONFD-MWLCHTKSSA-N 1 2 295.343 -1.669 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cncn2C)[C@H](O)C1 ZINC001090403929 776500177 /nfs/dbraw/zinc/50/01/77/776500177.db2.gz QHRMRNIAVYONFD-MWLCHTKSSA-N 1 2 295.343 -1.669 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)CCc2cn[nH]c2)[C@@H](O)C1 ZINC001100031537 776500217 /nfs/dbraw/zinc/50/02/17/776500217.db2.gz GXMORYWMUNZPJP-MNOVXSKESA-N 1 2 295.343 -1.621 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)CCc2cn[nH]c2)[C@@H](O)C1 ZINC001100031537 776500221 /nfs/dbraw/zinc/50/02/21/776500221.db2.gz GXMORYWMUNZPJP-MNOVXSKESA-N 1 2 295.343 -1.621 20 0 CAADLO CNC(=O)C1(C(=O)N[C@H]2CC[N@H+](CC(N)=O)C[C@@H]2O)CC1 ZINC001100033860 776501107 /nfs/dbraw/zinc/50/11/07/776501107.db2.gz MDAWCFXBUIUFPJ-IUCAKERBSA-N 1 2 298.343 -2.451 20 0 CAADLO CNC(=O)C1(C(=O)N[C@H]2CC[N@@H+](CC(N)=O)C[C@@H]2O)CC1 ZINC001100033860 776501112 /nfs/dbraw/zinc/50/11/12/776501112.db2.gz MDAWCFXBUIUFPJ-IUCAKERBSA-N 1 2 298.343 -2.451 20 0 CAADLO CN(C)C(=O)C[NH+]1CC2(CN(C(=O)c3c[nH]c(=O)[nH]3)C2)C1 ZINC001273400604 776501135 /nfs/dbraw/zinc/50/11/35/776501135.db2.gz OJXRZEQZWQTCSP-UHFFFAOYSA-N 1 2 293.327 -1.039 20 0 CAADLO O=C(N[C@H]1CC[N@@H+](CCOCCO)C[C@@H]1O)c1nc[nH]n1 ZINC001100039037 776502038 /nfs/dbraw/zinc/50/20/38/776502038.db2.gz OGMWRENROPGRAE-UWVGGRQHSA-N 1 2 299.331 -2.021 20 0 CAADLO O=C(N[C@H]1CC[N@H+](CCOCCO)C[C@@H]1O)c1nc[nH]n1 ZINC001100039037 776502041 /nfs/dbraw/zinc/50/20/41/776502041.db2.gz OGMWRENROPGRAE-UWVGGRQHSA-N 1 2 299.331 -2.021 20 0 CAADLO O=C(N[C@@H]1CC[N@@H+](CCOCCO)C[C@@H]1O)c1nc[nH]n1 ZINC001100039041 776502925 /nfs/dbraw/zinc/50/29/25/776502925.db2.gz OGMWRENROPGRAE-ZJUUUORDSA-N 1 2 299.331 -2.021 20 0 CAADLO O=C(N[C@@H]1CC[N@H+](CCOCCO)C[C@@H]1O)c1nc[nH]n1 ZINC001100039041 776502928 /nfs/dbraw/zinc/50/29/28/776502928.db2.gz OGMWRENROPGRAE-ZJUUUORDSA-N 1 2 299.331 -2.021 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)C(=O)NCC2CC2)[C@@H](O)C1 ZINC001100056597 776505271 /nfs/dbraw/zinc/50/52/71/776505271.db2.gz WTXHGOPIVGAHEY-UWVGGRQHSA-N 1 2 298.343 -2.451 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)C(=O)NCC2CC2)[C@@H](O)C1 ZINC001100056597 776505278 /nfs/dbraw/zinc/50/52/78/776505278.db2.gz WTXHGOPIVGAHEY-UWVGGRQHSA-N 1 2 298.343 -2.451 20 0 CAADLO O=C(/C=C\C[NH+]1CCOCC1)N[C@@H]1C[C@@H](O)[C@@H](O)C1 ZINC001155985703 776511421 /nfs/dbraw/zinc/51/14/21/776511421.db2.gz XVVCHLLNVGHXPT-YZKNBYHKSA-N 1 2 270.329 -1.125 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)CCNC(N)=O)[C@H](O)C1 ZINC001100106111 776513238 /nfs/dbraw/zinc/51/32/38/776513238.db2.gz PCDUMPKZSMLPEL-JGVFFNPUSA-N 1 2 287.320 -2.919 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)CCNC(N)=O)[C@H](O)C1 ZINC001100106111 776513240 /nfs/dbraw/zinc/51/32/40/776513240.db2.gz PCDUMPKZSMLPEL-JGVFFNPUSA-N 1 2 287.320 -2.919 20 0 CAADLO Cc1c(C(=O)NCCC[NH2+]Cc2nnn(C)n2)nnn1C ZINC001156107835 776513343 /nfs/dbraw/zinc/51/33/43/776513343.db2.gz YNDSIVQBZZYGOU-UHFFFAOYSA-N 1 2 293.335 -1.443 20 0 CAADLO Cn1nnc(C[NH2+][C@H]2C[C@H](CNC(=O)c3cnon3)C2)n1 ZINC001086509213 776513527 /nfs/dbraw/zinc/51/35/27/776513527.db2.gz FNNPOGKEYHUTEI-ZKCHVHJHSA-N 1 2 292.303 -1.109 20 0 CAADLO C[C@]1(CNC(=O)c2nnc[nH]2)C[N@H+](CCO)CCO1 ZINC001108287747 776513773 /nfs/dbraw/zinc/51/37/73/776513773.db2.gz YUPWVMLYAJDGAX-NSHDSACASA-N 1 2 269.305 -1.382 20 0 CAADLO C[C@]1(CNC(=O)c2nnc[nH]2)C[N@@H+](CCO)CCO1 ZINC001108287747 776513780 /nfs/dbraw/zinc/51/37/80/776513780.db2.gz YUPWVMLYAJDGAX-NSHDSACASA-N 1 2 269.305 -1.382 20 0 CAADLO Cn1ncnc1C[NH2+]CCCNC(=O)c1ncn[nH]1 ZINC001168789185 776514809 /nfs/dbraw/zinc/51/48/09/776514809.db2.gz KTTVMJHOFZHTNX-UHFFFAOYSA-N 1 2 264.293 -1.157 20 0 CAADLO Cn1ncnc1C[NH2+]CCCNC(=O)c1nc[nH]n1 ZINC001168789185 776514815 /nfs/dbraw/zinc/51/48/15/776514815.db2.gz KTTVMJHOFZHTNX-UHFFFAOYSA-N 1 2 264.293 -1.157 20 0 CAADLO Cn1nnnc1C[NH2+]CCCNC(=O)c1ncn[nH]1 ZINC001168789378 776515091 /nfs/dbraw/zinc/51/50/91/776515091.db2.gz NGQIKKZGHZDSTE-UHFFFAOYSA-N 1 2 265.281 -1.762 20 0 CAADLO Cn1nnnc1C[NH2+]CCCNC(=O)c1nc[nH]n1 ZINC001168789378 776515093 /nfs/dbraw/zinc/51/50/93/776515093.db2.gz NGQIKKZGHZDSTE-UHFFFAOYSA-N 1 2 265.281 -1.762 20 0 CAADLO C[C@H](O)C[N@@H+]1CCO[C@](C)(CNC(=O)Cc2nnc[nH]2)C1 ZINC001108330955 776515434 /nfs/dbraw/zinc/51/54/34/776515434.db2.gz IXQMJSYTWRAMHV-GXFFZTMASA-N 1 2 297.359 -1.065 20 0 CAADLO C[C@H](O)C[N@H+]1CCO[C@](C)(CNC(=O)Cc2nnc[nH]2)C1 ZINC001108330955 776515436 /nfs/dbraw/zinc/51/54/36/776515436.db2.gz IXQMJSYTWRAMHV-GXFFZTMASA-N 1 2 297.359 -1.065 20 0 CAADLO C[C@@H](O)C[N@@H+]1CCO[C@@](C)(CNC(=O)Cc2nnc[nH]2)C1 ZINC001108330956 776515594 /nfs/dbraw/zinc/51/55/94/776515594.db2.gz IXQMJSYTWRAMHV-MFKMUULPSA-N 1 2 297.359 -1.065 20 0 CAADLO C[C@@H](O)C[N@H+]1CCO[C@@](C)(CNC(=O)Cc2nnc[nH]2)C1 ZINC001108330956 776515599 /nfs/dbraw/zinc/51/55/99/776515599.db2.gz IXQMJSYTWRAMHV-MFKMUULPSA-N 1 2 297.359 -1.065 20 0 CAADLO C[C@@]1(CNC(=O)Cc2nc[nH]n2)C[N@H+](CCO)CCO1 ZINC001108335247 776515874 /nfs/dbraw/zinc/51/58/74/776515874.db2.gz ZGJXJNXRRXPOII-GFCCVEGCSA-N 1 2 283.332 -1.453 20 0 CAADLO C[C@@]1(CNC(=O)Cc2nc[nH]n2)C[N@@H+](CCO)CCO1 ZINC001108335247 776515878 /nfs/dbraw/zinc/51/58/78/776515878.db2.gz ZGJXJNXRRXPOII-GFCCVEGCSA-N 1 2 283.332 -1.453 20 0 CAADLO C[C@H](O)C[N@@H+]1CCO[C@@](C)(CNC(=O)Cc2nnc[nH]2)C1 ZINC001108330954 776515901 /nfs/dbraw/zinc/51/59/01/776515901.db2.gz IXQMJSYTWRAMHV-GWCFXTLKSA-N 1 2 297.359 -1.065 20 0 CAADLO C[C@H](O)C[N@H+]1CCO[C@@](C)(CNC(=O)Cc2nnc[nH]2)C1 ZINC001108330954 776515903 /nfs/dbraw/zinc/51/59/03/776515903.db2.gz IXQMJSYTWRAMHV-GWCFXTLKSA-N 1 2 297.359 -1.065 20 0 CAADLO Cn1nnc(C[NH2+]CCCNC(=O)c2cccnn2)n1 ZINC001169009291 776520293 /nfs/dbraw/zinc/52/02/93/776520293.db2.gz XKYDLBDULAHORV-UHFFFAOYSA-N 1 2 276.304 -1.090 20 0 CAADLO COC(=O)[C@@H]1C[C@@H](Nc2cnc(C(N)=O)nc2)C[NH2+]1 ZINC001169131994 776521230 /nfs/dbraw/zinc/52/12/30/776521230.db2.gz AOWAPQNTAGKANS-SVRRBLITSA-N 1 2 265.273 -1.109 20 0 CAADLO Cn1nnc(C[NH2+]CCCNC(=O)Cc2ncc[nH]2)n1 ZINC001169204058 776521257 /nfs/dbraw/zinc/52/12/57/776521257.db2.gz GGQYPUKVROCNNX-UHFFFAOYSA-N 1 2 278.320 -1.228 20 0 CAADLO COC(=O)[C@@H]1C[C@@H](Nc2cnc(C(N)=O)cn2)C[NH2+]1 ZINC001169129103 776521733 /nfs/dbraw/zinc/52/17/33/776521733.db2.gz KJUBNXPDPCWRKV-RQJHMYQMSA-N 1 2 265.273 -1.109 20 0 CAADLO COC(=O)[C@@H]1C[C@@H](Nc2nccnc2C(N)=O)C[NH2+]1 ZINC001169128932 776522336 /nfs/dbraw/zinc/52/23/36/776522336.db2.gz HEJFGHLHJYRAEC-RQJHMYQMSA-N 1 2 265.273 -1.109 20 0 CAADLO C[N@@H+]1CCc2ncnc(N[C@H](CO)C(N)=O)c2C1 ZINC001169322698 776523120 /nfs/dbraw/zinc/52/31/20/776523120.db2.gz BATKDULXPCEBRZ-SECBINFHSA-N 1 2 251.290 -1.277 20 0 CAADLO C[N@H+]1CCc2ncnc(N[C@H](CO)C(N)=O)c2C1 ZINC001169322698 776523128 /nfs/dbraw/zinc/52/31/28/776523128.db2.gz BATKDULXPCEBRZ-SECBINFHSA-N 1 2 251.290 -1.277 20 0 CAADLO C[N@@H+]1CCc2ncnc(N[C@@H](CO)C(N)=O)c2C1 ZINC001169322699 776523705 /nfs/dbraw/zinc/52/37/05/776523705.db2.gz BATKDULXPCEBRZ-VIFPVBQESA-N 1 2 251.290 -1.277 20 0 CAADLO C[N@H+]1CCc2ncnc(N[C@@H](CO)C(N)=O)c2C1 ZINC001169322699 776523709 /nfs/dbraw/zinc/52/37/09/776523709.db2.gz BATKDULXPCEBRZ-VIFPVBQESA-N 1 2 251.290 -1.277 20 0 CAADLO NC(=O)[C@H](CO)Nc1cc2c(c[nH+]1)OCC(=O)N2 ZINC001169325375 776524353 /nfs/dbraw/zinc/52/43/53/776524353.db2.gz UDVHYVBFBPYXFA-LURJTMIESA-N 1 2 252.230 -1.329 20 0 CAADLO NC(=O)[C@@H](CO)Nc1cc2c(c[nH+]1)OCC(=O)N2 ZINC001169325378 776524970 /nfs/dbraw/zinc/52/49/70/776524970.db2.gz UDVHYVBFBPYXFA-ZCFIWIBFSA-N 1 2 252.230 -1.329 20 0 CAADLO C[S@@](=O)c1c[nH]c2nc[nH+]c(N[C@H](CO)C(N)=O)c21 ZINC001169329493 776527270 /nfs/dbraw/zinc/52/72/70/776527270.db2.gz XUPHWRYUDCIMCH-WZNIZKBGSA-N 1 2 283.313 -1.047 20 0 CAADLO COCC[NH+]1CC(N2C[C@@H](NC(=O)COC)CC2=O)C1 ZINC001108493282 776530427 /nfs/dbraw/zinc/53/04/27/776530427.db2.gz KZVGABKBEHOZAS-JTQLQIEISA-N 1 2 285.344 -1.320 20 0 CAADLO CCC(=O)N[C@@H]1CC(=O)N(C2C[NH+](CCOCCO)C2)C1 ZINC001108491395 776530610 /nfs/dbraw/zinc/53/06/10/776530610.db2.gz SKLGUSRMDFFAMH-LLVKDONJSA-N 1 2 299.371 -1.193 20 0 CAADLO CC(=O)NCC(=O)N[C@@H]1CC(=O)N(C2C[NH+](CCO)C2)C1 ZINC001108497032 776531653 /nfs/dbraw/zinc/53/16/53/776531653.db2.gz ZOUNSLXFUNZYCT-SNVBAGLBSA-N 1 2 298.343 -2.484 20 0 CAADLO NC(=O)C1(O)CN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001169487367 776531797 /nfs/dbraw/zinc/53/17/97/776531797.db2.gz PKYHKCUCFRLMHT-MRVPVSSYSA-N 1 2 264.285 -1.496 20 0 CAADLO COCCC(=O)N[C@@H]1CC(=O)N(C2C[NH+](CCO)C2)C1 ZINC001108496430 776531997 /nfs/dbraw/zinc/53/19/97/776531997.db2.gz JOTGKJHKXLYIAE-SNVBAGLBSA-N 1 2 285.344 -1.584 20 0 CAADLO NC(=O)C1(O)CN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001169487368 776532030 /nfs/dbraw/zinc/53/20/30/776532030.db2.gz PKYHKCUCFRLMHT-QMMMGPOBSA-N 1 2 264.285 -1.496 20 0 CAADLO NC(=O)NCC(=O)N[C@H]1CC(=O)N(C2C[NH+](CCO)C2)C1 ZINC001108502207 776532439 /nfs/dbraw/zinc/53/24/39/776532439.db2.gz ITIQIXGSXLBFTN-QMMMGPOBSA-N 1 2 299.331 -2.952 20 0 CAADLO CCn1cc(C(=O)NCCC[NH2+]Cc2nnn(C)n2)nn1 ZINC001169586109 776533375 /nfs/dbraw/zinc/53/33/75/776533375.db2.gz QNOSPZKJXZCXCJ-UHFFFAOYSA-N 1 2 293.335 -1.269 20 0 CAADLO CCOCC(=O)N[C@@H]1CC(=O)N(C2C[NH+](CCO)C2)C1 ZINC001108503906 776533447 /nfs/dbraw/zinc/53/34/47/776533447.db2.gz LAZABJUIGNOUSH-SNVBAGLBSA-N 1 2 285.344 -1.584 20 0 CAADLO CO[C@H](C)CC(=O)N[C@H]1CC(=O)N(C2C[NH+](CCO)C2)C1 ZINC001108517173 776533970 /nfs/dbraw/zinc/53/39/70/776533970.db2.gz DKFUJDCWWRGWHO-MNOVXSKESA-N 1 2 299.371 -1.195 20 0 CAADLO NC(=O)CC(=O)N[C@H]1CC(=O)N(C2C[NH+](CCO)C2)C1 ZINC001108523464 776534006 /nfs/dbraw/zinc/53/40/06/776534006.db2.gz KBRCAUYAWCWQGZ-QMMMGPOBSA-N 1 2 284.316 -2.745 20 0 CAADLO CCOCCC(=O)N[C@@H]1CC(=O)N(C2C[NH+](CCO)C2)C1 ZINC001108521953 776534058 /nfs/dbraw/zinc/53/40/58/776534058.db2.gz LGBHUSUNBCPQRF-LLVKDONJSA-N 1 2 299.371 -1.193 20 0 CAADLO CO[C@H](C)CC(=O)N[C@@H]1CC(=O)N(C2C[NH+](CCO)C2)C1 ZINC001108517172 776534110 /nfs/dbraw/zinc/53/41/10/776534110.db2.gz DKFUJDCWWRGWHO-GHMZBOCLSA-N 1 2 299.371 -1.195 20 0 CAADLO NC(=O)CC(=O)N[C@@H]1CC(=O)N(C2C[NH+](CCO)C2)C1 ZINC001108523463 776534227 /nfs/dbraw/zinc/53/42/27/776534227.db2.gz KBRCAUYAWCWQGZ-MRVPVSSYSA-N 1 2 284.316 -2.745 20 0 CAADLO CC[C@@H](OC)C(=O)N[C@H]1CC(=O)N(C2C[NH+](CCO)C2)C1 ZINC001108517442 776534762 /nfs/dbraw/zinc/53/47/62/776534762.db2.gz IBDKZRUABFHPSX-CMPLNLGQSA-N 1 2 299.371 -1.195 20 0 CAADLO CCCOCC(=O)N[C@@H]1CC(=O)N(C2C[NH+](CCO)C2)C1 ZINC001108518143 776534878 /nfs/dbraw/zinc/53/48/78/776534878.db2.gz TWZLTILSCCISSG-LLVKDONJSA-N 1 2 299.371 -1.193 20 0 CAADLO COC[C@@H](C)C(=O)N[C@@H]1CC(=O)N(C2C[NH+](CCO)C2)C1 ZINC001108523597 776535040 /nfs/dbraw/zinc/53/50/40/776535040.db2.gz MUDLZRROAWLQBF-GHMZBOCLSA-N 1 2 299.371 -1.338 20 0 CAADLO CC(C)[C@@H](O)C(=O)N[C@@H]1CC(=O)N(C2C[NH+](CCO)C2)C1 ZINC001108542554 776536094 /nfs/dbraw/zinc/53/60/94/776536094.db2.gz IBOITZMIEYTTTP-ZWNOBZJWSA-N 1 2 299.371 -1.603 20 0 CAADLO CC(C)[C@@H](O)C(=O)N[C@H]1CC(=O)N(C2C[NH+](CCO)C2)C1 ZINC001108542553 776536578 /nfs/dbraw/zinc/53/65/78/776536578.db2.gz IBOITZMIEYTTTP-GXFFZTMASA-N 1 2 299.371 -1.603 20 0 CAADLO Cc1nonc1CC(=O)NCCC[NH2+]Cc1nnn(C)n1 ZINC001169869617 776537816 /nfs/dbraw/zinc/53/78/16/776537816.db2.gz AMFPNVGRJNDTBG-UHFFFAOYSA-N 1 2 294.319 -1.260 20 0 CAADLO CNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)NC(C)=O)C2 ZINC001108887006 776542229 /nfs/dbraw/zinc/54/22/29/776542229.db2.gz BDUQUZVSAKZXJX-YJQGPUDQSA-N 1 2 296.371 -1.022 20 0 CAADLO CNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)NC(C)=O)C2 ZINC001108887006 776542236 /nfs/dbraw/zinc/54/22/36/776542236.db2.gz BDUQUZVSAKZXJX-YJQGPUDQSA-N 1 2 296.371 -1.022 20 0 CAADLO NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CNC(N)=O)C2 ZINC001108919433 776542756 /nfs/dbraw/zinc/54/27/56/776542756.db2.gz VVJGDSMYLDAZMI-CSMHCCOUSA-N 1 2 269.305 -2.139 20 0 CAADLO NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CNC(N)=O)C2 ZINC001108919433 776542759 /nfs/dbraw/zinc/54/27/59/776542759.db2.gz VVJGDSMYLDAZMI-CSMHCCOUSA-N 1 2 269.305 -2.139 20 0 CAADLO OC[C@H]1O[C@H](O)[C@H](Nc2ccn3cc[nH+]c3c2)[C@@H](O)[C@@H]1O ZINC001169971222 776543582 /nfs/dbraw/zinc/54/35/82/776543582.db2.gz KITMTPKUGPEQTI-WECGXBHGSA-N 1 2 295.295 -1.454 20 0 CAADLO COC(=O)NCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(N)=O ZINC001108986523 776545037 /nfs/dbraw/zinc/54/50/37/776545037.db2.gz QKBUMKGGJOCHEH-VGMNWLOBSA-N 1 2 284.316 -1.451 20 0 CAADLO COC(=O)NCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(N)=O ZINC001108986523 776545042 /nfs/dbraw/zinc/54/50/42/776545042.db2.gz QKBUMKGGJOCHEH-VGMNWLOBSA-N 1 2 284.316 -1.451 20 0 CAADLO NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CNC(=O)C1CC1)C2 ZINC001108990368 776545813 /nfs/dbraw/zinc/54/58/13/776545813.db2.gz ZOSJRGWVTVONGK-VWYCJHECSA-N 1 2 294.355 -1.281 20 0 CAADLO NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CNC(=O)C1CC1)C2 ZINC001108990368 776545818 /nfs/dbraw/zinc/54/58/18/776545818.db2.gz ZOSJRGWVTVONGK-VWYCJHECSA-N 1 2 294.355 -1.281 20 0 CAADLO Cn1nncc1C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC(N)=O)C2 ZINC001109105856 776546588 /nfs/dbraw/zinc/54/65/88/776546588.db2.gz AAZLLAGYBOLAMR-MIMYLULJSA-N 1 2 292.343 -1.088 20 0 CAADLO Cn1nncc1C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC(N)=O)C2 ZINC001109105856 776546593 /nfs/dbraw/zinc/54/65/93/776546593.db2.gz AAZLLAGYBOLAMR-MIMYLULJSA-N 1 2 292.343 -1.088 20 0 CAADLO NC(=O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(N)=O ZINC001109106141 776547444 /nfs/dbraw/zinc/54/74/44/776547444.db2.gz INTMVYBQZQBTOA-CSMHCCOUSA-N 1 2 254.290 -1.931 20 0 CAADLO NC(=O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(N)=O ZINC001109106141 776547452 /nfs/dbraw/zinc/54/74/52/776547452.db2.gz INTMVYBQZQBTOA-CSMHCCOUSA-N 1 2 254.290 -1.931 20 0 CAADLO CCS(=O)(=O)CC(=O)N[C@H]1CC[N@H+](CCO)C[C@@H]1O ZINC001100128969 776548730 /nfs/dbraw/zinc/54/87/30/776548730.db2.gz GQVBFHPLEQLRGQ-UWVGGRQHSA-N 1 2 294.373 -2.035 20 0 CAADLO CCS(=O)(=O)CC(=O)N[C@H]1CC[N@@H+](CCO)C[C@@H]1O ZINC001100128969 776548736 /nfs/dbraw/zinc/54/87/36/776548736.db2.gz GQVBFHPLEQLRGQ-UWVGGRQHSA-N 1 2 294.373 -2.035 20 0 CAADLO CCS(=O)(=O)CC(=O)N[C@@H]1CC[N@H+](CCO)C[C@H]1O ZINC001100128968 776548820 /nfs/dbraw/zinc/54/88/20/776548820.db2.gz GQVBFHPLEQLRGQ-NXEZZACHSA-N 1 2 294.373 -2.035 20 0 CAADLO CCS(=O)(=O)CC(=O)N[C@@H]1CC[N@@H+](CCO)C[C@H]1O ZINC001100128968 776548826 /nfs/dbraw/zinc/54/88/26/776548826.db2.gz GQVBFHPLEQLRGQ-NXEZZACHSA-N 1 2 294.373 -2.035 20 0 CAADLO C[C@H](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(N)=O)NC(N)=O ZINC001109279984 776551150 /nfs/dbraw/zinc/55/11/50/776551150.db2.gz XBTRLUVYKVKUGV-IMSYWVGJSA-N 1 2 297.359 -1.360 20 0 CAADLO C[C@H](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(N)=O)NC(N)=O ZINC001109279984 776551157 /nfs/dbraw/zinc/55/11/57/776551157.db2.gz XBTRLUVYKVKUGV-IMSYWVGJSA-N 1 2 297.359 -1.360 20 0 CAADLO CNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)CC(N)=O)C2 ZINC001109597388 776551527 /nfs/dbraw/zinc/55/15/27/776551527.db2.gz KDWSYODGCLCVFY-VLEAKVRGSA-N 1 2 296.371 -1.035 20 0 CAADLO CNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)CC(N)=O)C2 ZINC001109597388 776551532 /nfs/dbraw/zinc/55/15/32/776551532.db2.gz KDWSYODGCLCVFY-VLEAKVRGSA-N 1 2 296.371 -1.035 20 0 CAADLO COC[C@@H](OC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(N)=O ZINC001109695928 776552747 /nfs/dbraw/zinc/55/27/47/776552747.db2.gz LOSZSOVUJZQCAO-VPOLOUISSA-N 1 2 285.344 -1.145 20 0 CAADLO COC[C@@H](OC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(N)=O ZINC001109695928 776552754 /nfs/dbraw/zinc/55/27/54/776552754.db2.gz LOSZSOVUJZQCAO-VPOLOUISSA-N 1 2 285.344 -1.145 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cc(F)c[nH]2)[C@H](O)C1 ZINC001090440117 776556181 /nfs/dbraw/zinc/55/61/81/776556181.db2.gz ZJUIKXASVFQWEN-PSASIEDQSA-N 1 2 284.291 -1.196 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cc(F)c[nH]2)[C@H](O)C1 ZINC001090440117 776556190 /nfs/dbraw/zinc/55/61/90/776556190.db2.gz ZJUIKXASVFQWEN-PSASIEDQSA-N 1 2 284.291 -1.196 20 0 CAADLO CC(=O)NCC(=O)N1CC[NH+](CCN2CCNC2=O)CC1 ZINC001112599096 776556499 /nfs/dbraw/zinc/55/64/99/776556499.db2.gz VYRHJHTXSMVZRD-UHFFFAOYSA-N 1 2 297.359 -1.708 20 0 CAADLO CC(=O)N[C@@H](C)C(=O)N1CC[NH+](CCOCCO)CC1 ZINC001112602978 776557052 /nfs/dbraw/zinc/55/70/52/776557052.db2.gz CLYZGNQXWAANJO-NSHDSACASA-N 1 2 287.360 -1.336 20 0 CAADLO CC(=O)N[C@@H](C)C(=O)N1CC[NH+](CCn2cncn2)CC1 ZINC001112603406 776557431 /nfs/dbraw/zinc/55/74/31/776557431.db2.gz SKLBDJKIVFBGTA-NSHDSACASA-N 1 2 294.359 -1.053 20 0 CAADLO NC(=O)NCC(=O)N1CC[NH+](CCN2CCCC2=O)CC1 ZINC001112604783 776557582 /nfs/dbraw/zinc/55/75/82/776557582.db2.gz QJHOLTZOJAROJF-UHFFFAOYSA-N 1 2 297.359 -1.579 20 0 CAADLO O=C(Cn1cnnn1)N1CC[NH+](CCOCCO)CC1 ZINC001112605213 776557777 /nfs/dbraw/zinc/55/77/77/776557777.db2.gz ODBPBUFFOYXUEB-UHFFFAOYSA-N 1 2 284.320 -2.174 20 0 CAADLO O=C(CCn1cncn1)N1CC[NH+](CCOCCO)CC1 ZINC001112611955 776558592 /nfs/dbraw/zinc/55/85/92/776558592.db2.gz MRLDFLGEPLCAID-UHFFFAOYSA-N 1 2 297.359 -1.179 20 0 CAADLO NC(=O)NCC(=O)N1CC[NH+](CCn2cncn2)CC1 ZINC001112607545 776559147 /nfs/dbraw/zinc/55/91/47/776559147.db2.gz UXEWPJQCCAIGLE-UHFFFAOYSA-N 1 2 281.320 -1.909 20 0 CAADLO NC(=O)CCCC(=O)N[C@H]1CC[N@H+](CC(N)=O)C[C@H]1O ZINC001100142573 776563193 /nfs/dbraw/zinc/56/31/93/776563193.db2.gz FHFWWROXULQRHK-DTWKUNHWSA-N 1 2 286.332 -2.321 20 0 CAADLO NC(=O)CCCC(=O)N[C@H]1CC[N@@H+](CC(N)=O)C[C@H]1O ZINC001100142573 776563198 /nfs/dbraw/zinc/56/31/98/776563198.db2.gz FHFWWROXULQRHK-DTWKUNHWSA-N 1 2 286.332 -2.321 20 0 CAADLO COC[C@H](O)C[NH+]1CCN(C(=O)c2nccnc2N)CC1 ZINC001112719343 776564407 /nfs/dbraw/zinc/56/44/07/776564407.db2.gz KEEKANCIZGHKKU-SNVBAGLBSA-N 1 2 295.343 -1.176 20 0 CAADLO COC[C@@H](O)C[NH+]1CCN(C(=O)c2nccnc2N)CC1 ZINC001112719342 776565356 /nfs/dbraw/zinc/56/53/56/776565356.db2.gz KEEKANCIZGHKKU-JTQLQIEISA-N 1 2 295.343 -1.176 20 0 CAADLO NC(=O)CC(=O)N1CC[NH+](CCOCCO)CC1 ZINC001112732549 776566467 /nfs/dbraw/zinc/56/64/67/776566467.db2.gz PWBORDBPLJEZPE-UHFFFAOYSA-N 1 2 259.306 -1.985 20 0 CAADLO O=C([C@H]1CCNC(=O)C1)N1CC[NH+](CCOCCO)CC1 ZINC001112766087 776567431 /nfs/dbraw/zinc/56/74/31/776567431.db2.gz KVMZZRIAJXJRMC-LBPRGKRZSA-N 1 2 299.371 -1.334 20 0 CAADLO O=C(CN1CN=NC1=O)N1CC[NH+](CCOCCO)CC1 ZINC001112773114 776567502 /nfs/dbraw/zinc/56/75/02/776567502.db2.gz BOGKQLIKLBLIGO-UHFFFAOYSA-N 1 2 299.331 -1.863 20 0 CAADLO CCNC(=O)CC(=O)N1CC[NH+](CCOCCO)CC1 ZINC001112777568 776569354 /nfs/dbraw/zinc/56/93/54/776569354.db2.gz CKSKSPPUGAYQBY-UHFFFAOYSA-N 1 2 287.360 -1.334 20 0 CAADLO C[C@H](NC(N)=O)C(=O)N1CC[NH+](CCn2cncn2)CC1 ZINC001112799498 776569971 /nfs/dbraw/zinc/56/99/71/776569971.db2.gz KUMHHRWDUHQVQJ-JTQLQIEISA-N 1 2 295.347 -1.521 20 0 CAADLO CNC(=O)CC(=O)N1CC[NH+](CCN2CCCC2=O)CC1 ZINC001112791253 776570543 /nfs/dbraw/zinc/57/05/43/776570543.db2.gz AWYPESPZXPHLFU-UHFFFAOYSA-N 1 2 296.371 -1.111 20 0 CAADLO COC[C@@H](O)C[NH+]1CCN(C(=O)c2cn(C)nn2)CC1 ZINC001112817345 776571608 /nfs/dbraw/zinc/57/16/08/776571608.db2.gz GXHCNRRAMXUZMX-JTQLQIEISA-N 1 2 283.332 -1.420 20 0 CAADLO O=C(Cn1ncnn1)N1CC[NH+](CCOCCO)CC1 ZINC001112857664 776573022 /nfs/dbraw/zinc/57/30/22/776573022.db2.gz UFOZAXBUISYRCV-UHFFFAOYSA-N 1 2 284.320 -2.174 20 0 CAADLO O=C(Cn1nccn1)N1CC[NH+](CCOCCO)CC1 ZINC001112891468 776573041 /nfs/dbraw/zinc/57/30/41/776573041.db2.gz RQFVNYQLXWPFRG-UHFFFAOYSA-N 1 2 283.332 -1.569 20 0 CAADLO O=C([C@@H]1CCCNC1=O)N1CC[NH+](CCOCCO)CC1 ZINC001112987616 776574959 /nfs/dbraw/zinc/57/49/59/776574959.db2.gz PWOQUAGAYLOEOO-GFCCVEGCSA-N 1 2 299.371 -1.334 20 0 CAADLO O=C(c1cn[nH]c(=O)c1)N1CC[NH+](CCOCCO)CC1 ZINC001112989762 776575073 /nfs/dbraw/zinc/57/50/73/776575073.db2.gz HBPRPVNRJFIFEK-UHFFFAOYSA-N 1 2 296.327 -1.051 20 0 CAADLO O=C([C@H]1CCCNC1=O)N1CC[NH+](CCOCCO)CC1 ZINC001112987617 776575307 /nfs/dbraw/zinc/57/53/07/776575307.db2.gz PWOQUAGAYLOEOO-LBPRGKRZSA-N 1 2 299.371 -1.334 20 0 CAADLO CNC(=O)NCC(=O)N1CCN(Cc2c[nH+]cn2C)CC1 ZINC001112924987 776575376 /nfs/dbraw/zinc/57/53/76/776575376.db2.gz SZYYEZUAEVOTLF-UHFFFAOYSA-N 1 2 294.359 -1.007 20 0 CAADLO O=C(C[C@@H]1CCNC1=O)N1CC[NH+](CCOCCO)CC1 ZINC001112960444 776575781 /nfs/dbraw/zinc/57/57/81/776575781.db2.gz KUDFLQWZGVLUOU-LBPRGKRZSA-N 1 2 299.371 -1.334 20 0 CAADLO CNC(=O)NCC(=O)N1CC[NH+](CCn2cncn2)CC1 ZINC001112927585 776575939 /nfs/dbraw/zinc/57/59/39/776575939.db2.gz QHPWZJDNBPDHMH-UHFFFAOYSA-N 1 2 295.347 -1.649 20 0 CAADLO O=C([C@H]1CCC(=O)NC1)N1CC[NH+](CCOCCO)CC1 ZINC001113055275 776576938 /nfs/dbraw/zinc/57/69/38/776576938.db2.gz RQIABMWWDDLOSK-LBPRGKRZSA-N 1 2 299.371 -1.334 20 0 CAADLO C[C@@H](CC(N)=O)C(=O)N1CC[NH+](CCn2cncn2)CC1 ZINC001113194069 776578723 /nfs/dbraw/zinc/57/87/23/776578723.db2.gz UDTMOVZJZVBWJD-NSHDSACASA-N 1 2 294.359 -1.066 20 0 CAADLO Cc1n[nH]nc1C(=O)N1CC[NH+](CCOCCO)CC1 ZINC001113182136 776578934 /nfs/dbraw/zinc/57/89/34/776578934.db2.gz ZWZLDDGUIXSAIS-UHFFFAOYSA-N 1 2 283.332 -1.120 20 0 CAADLO COC[C@H](O)C[NH+]1CCN(C(=O)c2n[nH]nc2C)CC1 ZINC001113181798 776579325 /nfs/dbraw/zinc/57/93/25/776579325.db2.gz HNCYZKQFMRRFGE-SNVBAGLBSA-N 1 2 283.332 -1.122 20 0 CAADLO C[C@H](CC(N)=O)C(=O)N1CC[NH+](CCn2cncn2)CC1 ZINC001113194068 776579399 /nfs/dbraw/zinc/57/93/99/776579399.db2.gz UDTMOVZJZVBWJD-LLVKDONJSA-N 1 2 294.359 -1.066 20 0 CAADLO NC(=O)[C@H]1CC[C@H]1C(=O)N1CC[NH+](CCOCCO)CC1 ZINC001113187321 776579442 /nfs/dbraw/zinc/57/94/42/776579442.db2.gz VYBSTXLQMUPONR-NWDGAFQWSA-N 1 2 299.371 -1.349 20 0 CAADLO CN1CC[C@H](C(=O)N2CC[NH+](CCOCCO)CC2)C1=O ZINC001113221305 776579762 /nfs/dbraw/zinc/57/97/62/776579762.db2.gz LQEYSYMUJCLOKL-LBPRGKRZSA-N 1 2 299.371 -1.382 20 0 CAADLO NC(=O)[C@H]1CC[C@@H]1C(=O)N1CC[NH+](CCOCCO)CC1 ZINC001113187322 776580643 /nfs/dbraw/zinc/58/06/43/776580643.db2.gz VYBSTXLQMUPONR-RYUDHWBXSA-N 1 2 299.371 -1.349 20 0 CAADLO COCCOC[C@H](O)C[NH+]1CCN(C(=O)C(N)=O)CC1 ZINC001113278298 776583601 /nfs/dbraw/zinc/58/36/01/776583601.db2.gz GMJMXGQEPYCWIL-SNVBAGLBSA-N 1 2 289.332 -2.360 20 0 CAADLO C[C@H](NC(N)=O)C(=O)N1CC[NH2+][C@H](c2cn[nH]c2)C1 ZINC001170138157 776585288 /nfs/dbraw/zinc/58/52/88/776585288.db2.gz ARJGVNAIDPUUNE-CBAPKCEASA-N 1 2 266.305 -1.061 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2csnn2)[C@@H](O)C1 ZINC001090451060 776585429 /nfs/dbraw/zinc/58/54/29/776585429.db2.gz DYFVMEANMZXIOI-APPZFPTMSA-N 1 2 299.356 -1.551 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2csnn2)[C@@H](O)C1 ZINC001090451060 776585440 /nfs/dbraw/zinc/58/54/40/776585440.db2.gz DYFVMEANMZXIOI-APPZFPTMSA-N 1 2 299.356 -1.551 20 0 CAADLO CN(C)C(=O)CC(=O)N1CC[NH+](CCn2cncn2)CC1 ZINC001113414035 776586431 /nfs/dbraw/zinc/58/64/31/776586431.db2.gz CPXWYLXHIJXKLU-UHFFFAOYSA-N 1 2 294.359 -1.099 20 0 CAADLO COC[C@@H](O)C[NH+]1CCN(C(=O)c2cnn(C)n2)CC1 ZINC001113428344 776586534 /nfs/dbraw/zinc/58/65/34/776586534.db2.gz RTGQONGNNAYNHK-JTQLQIEISA-N 1 2 283.332 -1.420 20 0 CAADLO COC[C@@H](O)C[NH+]1CCN(C(=O)c2nc[nH]n2)CC1 ZINC001113443098 776587025 /nfs/dbraw/zinc/58/70/25/776587025.db2.gz YIEFJMJBQOXULY-VIFPVBQESA-N 1 2 269.305 -1.430 20 0 CAADLO Cn1ncc(C(=O)N2CC[NH+](CCOCCO)CC2)n1 ZINC001113428267 776587352 /nfs/dbraw/zinc/58/73/52/776587352.db2.gz NLBRACJWGTTXPR-UHFFFAOYSA-N 1 2 283.332 -1.418 20 0 CAADLO CNC(=O)C1(C(=O)N2CC[NH+](CCOCCO)CC2)CC1 ZINC001113428943 776587453 /nfs/dbraw/zinc/58/74/53/776587453.db2.gz BDCUABQIIIKCNB-UHFFFAOYSA-N 1 2 299.371 -1.334 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2csnn2)[C@@H](O)C1 ZINC001090452768 776588515 /nfs/dbraw/zinc/58/85/15/776588515.db2.gz PBVHHZRHEUKFLA-SVRRBLITSA-N 1 2 285.329 -1.812 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)c2csnn2)[C@@H](O)C1 ZINC001090452768 776588526 /nfs/dbraw/zinc/58/85/26/776588526.db2.gz PBVHHZRHEUKFLA-SVRRBLITSA-N 1 2 285.329 -1.812 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)c2csnn2)[C@@H](O)C1 ZINC001090452770 776588714 /nfs/dbraw/zinc/58/87/14/776588714.db2.gz PBVHHZRHEUKFLA-XPUUQOCRSA-N 1 2 285.329 -1.812 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)c2csnn2)[C@@H](O)C1 ZINC001090452770 776588723 /nfs/dbraw/zinc/58/87/23/776588723.db2.gz PBVHHZRHEUKFLA-XPUUQOCRSA-N 1 2 285.329 -1.812 20 0 CAADLO COC[C@H](O)C[NH+]1CCN(C(=O)C(=O)NCC2CC2)CC1 ZINC001113471980 776589038 /nfs/dbraw/zinc/58/90/38/776589038.db2.gz XZUGFGMSUQLTTK-GFCCVEGCSA-N 1 2 299.371 -1.336 20 0 CAADLO O=C([C@@H]1CCC(=O)N1)N1CC[NH+](CCOCCO)CC1 ZINC001113559144 776589101 /nfs/dbraw/zinc/58/91/01/776589101.db2.gz GABPCBXNVPSYRV-NSHDSACASA-N 1 2 285.344 -1.582 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)c2csnn2)[C@H](O)C1 ZINC001090452765 776589171 /nfs/dbraw/zinc/58/91/71/776589171.db2.gz PBVHHZRHEUKFLA-POYBYMJQSA-N 1 2 285.329 -1.812 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)c2csnn2)[C@H](O)C1 ZINC001090452765 776589175 /nfs/dbraw/zinc/58/91/75/776589175.db2.gz PBVHHZRHEUKFLA-POYBYMJQSA-N 1 2 285.329 -1.812 20 0 CAADLO COC[C@@H](O)C[NH+]1CCN(C(=O)C(=O)NCC2CC2)CC1 ZINC001113471981 776589228 /nfs/dbraw/zinc/58/92/28/776589228.db2.gz XZUGFGMSUQLTTK-LBPRGKRZSA-N 1 2 299.371 -1.336 20 0 CAADLO NC(=O)NCCC(=O)N1CC[NH+](CCn2cncn2)CC1 ZINC001113619052 776590253 /nfs/dbraw/zinc/59/02/53/776590253.db2.gz GLASKSQQHVLQOU-UHFFFAOYSA-N 1 2 295.347 -1.519 20 0 CAADLO O=C(Cn1cncn1)N1CC[NH+](CCOCCO)CC1 ZINC001113612794 776590615 /nfs/dbraw/zinc/59/06/15/776590615.db2.gz TZUJLFVHAGAQPH-UHFFFAOYSA-N 1 2 283.332 -1.569 20 0 CAADLO CC(=O)NCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cnn(C)n3)C[C@H]21 ZINC001113787032 776595710 /nfs/dbraw/zinc/59/57/10/776595710.db2.gz FOFNFKHICJHAPA-PJXYFTJBSA-N 1 2 292.343 -1.502 20 0 CAADLO CC(=O)NCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cnn(C)n3)C[C@H]21 ZINC001113787032 776595720 /nfs/dbraw/zinc/59/57/20/776595720.db2.gz FOFNFKHICJHAPA-PJXYFTJBSA-N 1 2 292.343 -1.502 20 0 CAADLO NC(=O)C1(O)CC[NH+](Cc2nccc(N)n2)CC1 ZINC001170231627 776597131 /nfs/dbraw/zinc/59/71/31/776597131.db2.gz KDUIOLIBHARMBF-UHFFFAOYSA-N 1 2 251.290 -1.129 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cnco2)[C@H](O)C1 ZINC001090467158 776598425 /nfs/dbraw/zinc/59/84/25/776598425.db2.gz OVCMFWLQBIPWMW-JGVFFNPUSA-N 1 2 268.273 -1.675 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)c2cnco2)[C@H](O)C1 ZINC001090467158 776598430 /nfs/dbraw/zinc/59/84/30/776598430.db2.gz OVCMFWLQBIPWMW-JGVFFNPUSA-N 1 2 268.273 -1.675 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cnco2)[C@H](O)C1 ZINC001090463739 776599022 /nfs/dbraw/zinc/59/90/22/776599022.db2.gz PGCPITXMBVSNAB-RKDXNWHRSA-N 1 2 282.300 -1.414 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cnco2)[C@H](O)C1 ZINC001090463739 776599030 /nfs/dbraw/zinc/59/90/30/776599030.db2.gz PGCPITXMBVSNAB-RKDXNWHRSA-N 1 2 282.300 -1.414 20 0 CAADLO [NH3+][C@@H](Cc1nn[nH]n1)C(=O)N1C[C@H](F)C[C@H](CO)C1 ZINC001157729066 776599883 /nfs/dbraw/zinc/59/98/83/776599883.db2.gz CGTKEJYTFJRXCQ-RNJXMRFFSA-N 1 2 272.284 -1.752 20 0 CAADLO [NH3+][C@@H](Cc1nn[nH]n1)C(=O)N1C[C@H](F)C[C@@H](CO)C1 ZINC001157729065 776600010 /nfs/dbraw/zinc/60/00/10/776600010.db2.gz CGTKEJYTFJRXCQ-PRJMDXOYSA-N 1 2 272.284 -1.752 20 0 CAADLO [NH3+][C@@H](Cc1nn[nH]n1)C(=O)N1CCC[C@@H](F)C(=O)C1 ZINC001157730664 776601912 /nfs/dbraw/zinc/60/19/12/776601912.db2.gz PCDJQWOMZSKAFY-RQJHMYQMSA-N 1 2 270.268 -1.401 20 0 CAADLO C[C@H](CNC(=O)C(N)=O)N(C)c1[nH+]cnc2c1cnn2C ZINC001113847375 776601979 /nfs/dbraw/zinc/60/19/79/776601979.db2.gz IWXLGYYTDGKLSQ-SSDOTTSWSA-N 1 2 291.315 -1.211 20 0 CAADLO Cn1ncc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CNC(N)=O)n1 ZINC001113849554 776602502 /nfs/dbraw/zinc/60/25/02/776602502.db2.gz LTDUWKIAPUYORY-JZYVYDRUSA-N 1 2 293.331 -1.970 20 0 CAADLO Cn1ncc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CNC(N)=O)n1 ZINC001113849554 776602506 /nfs/dbraw/zinc/60/25/06/776602506.db2.gz LTDUWKIAPUYORY-JZYVYDRUSA-N 1 2 293.331 -1.970 20 0 CAADLO NC(=O)NCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ncccn3)C[C@H]21 ZINC001113850790 776603912 /nfs/dbraw/zinc/60/39/12/776603912.db2.gz ZEVXEUKZTYMNFM-GDGBQDQQSA-N 1 2 290.327 -1.309 20 0 CAADLO NC(=O)NCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ncccn3)C[C@H]21 ZINC001113850790 776603913 /nfs/dbraw/zinc/60/39/13/776603913.db2.gz ZEVXEUKZTYMNFM-GDGBQDQQSA-N 1 2 290.327 -1.309 20 0 CAADLO CO[C@@H](C)C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3nc(=O)n(C)[nH]3)C[C@H]21 ZINC001113953569 776605906 /nfs/dbraw/zinc/60/59/06/776605906.db2.gz RERINFYBJKOCTC-WYOJIJJFSA-N 1 2 295.343 -1.310 20 0 CAADLO CO[C@@H](C)C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3nc(=O)n(C)[nH]3)C[C@H]21 ZINC001113953569 776605913 /nfs/dbraw/zinc/60/59/13/776605913.db2.gz RERINFYBJKOCTC-WYOJIJJFSA-N 1 2 295.343 -1.310 20 0 CAADLO Cc1n[nH]cc1C(=O)N[C@H]1CC[N@H+](CC(N)=O)C[C@H]1O ZINC001090474078 776608041 /nfs/dbraw/zinc/60/80/41/776608041.db2.gz AFZXXPJFTNGEIP-VHSXEESVSA-N 1 2 281.316 -1.632 20 0 CAADLO Cc1n[nH]cc1C(=O)N[C@H]1CC[N@@H+](CC(N)=O)C[C@H]1O ZINC001090474078 776608046 /nfs/dbraw/zinc/60/80/46/776608046.db2.gz AFZXXPJFTNGEIP-VHSXEESVSA-N 1 2 281.316 -1.632 20 0 CAADLO Cn1ccnc1C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC(N)=O ZINC001114093500 776612328 /nfs/dbraw/zinc/61/23/28/776612328.db2.gz QBFRVDZKLJXPQX-WOFXILAISA-N 1 2 277.328 -1.158 20 0 CAADLO Cn1ccnc1C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC(N)=O ZINC001114093500 776612330 /nfs/dbraw/zinc/61/23/30/776612330.db2.gz QBFRVDZKLJXPQX-WOFXILAISA-N 1 2 277.328 -1.158 20 0 CAADLO Cc1noc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CC(N)=O)n1 ZINC001114093287 776612686 /nfs/dbraw/zinc/61/26/86/776612686.db2.gz MIBBGRIANNHMPF-JDICNCQASA-N 1 2 279.300 -1.200 20 0 CAADLO Cc1noc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CC(N)=O)n1 ZINC001114093287 776612691 /nfs/dbraw/zinc/61/26/91/776612691.db2.gz MIBBGRIANNHMPF-JDICNCQASA-N 1 2 279.300 -1.200 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1nnc[nH]1 ZINC001114120597 776613407 /nfs/dbraw/zinc/61/34/07/776613407.db2.gz UTFKZWFYEDPWSK-XBWDGYHZSA-N 1 2 292.343 -1.343 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1nnc[nH]1 ZINC001114120597 776613413 /nfs/dbraw/zinc/61/34/13/776613413.db2.gz UTFKZWFYEDPWSK-XBWDGYHZSA-N 1 2 292.343 -1.343 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1nc[nH]n1 ZINC001114120597 776613421 /nfs/dbraw/zinc/61/34/21/776613421.db2.gz UTFKZWFYEDPWSK-XBWDGYHZSA-N 1 2 292.343 -1.343 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1nc[nH]n1 ZINC001114120597 776613428 /nfs/dbraw/zinc/61/34/28/776613428.db2.gz UTFKZWFYEDPWSK-XBWDGYHZSA-N 1 2 292.343 -1.343 20 0 CAADLO Cc1nonc1C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC(N)=O ZINC001114094008 776613599 /nfs/dbraw/zinc/61/35/99/776613599.db2.gz XCMFXCZGFLWWAU-JDICNCQASA-N 1 2 279.300 -1.200 20 0 CAADLO Cc1nonc1C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC(N)=O ZINC001114094008 776613602 /nfs/dbraw/zinc/61/36/02/776613602.db2.gz XCMFXCZGFLWWAU-JDICNCQASA-N 1 2 279.300 -1.200 20 0 CAADLO COC(=O)[C@@H]([NH3+])CC(=O)N1CC[C@H](CO)[C@H](O)C1 ZINC001157904812 776640860 /nfs/dbraw/zinc/64/08/60/776640860.db2.gz OAQUZHNCNHZJNE-HRDYMLBCSA-N 1 2 260.290 -1.922 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2c[nH]nc2C)[C@@H](O)C1 ZINC001090476081 776616275 /nfs/dbraw/zinc/61/62/75/776616275.db2.gz MBDRXKAUEISZEV-QWRGUYRKSA-N 1 2 295.343 -1.371 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)c2c[nH]nc2C)[C@@H](O)C1 ZINC001090476081 776616279 /nfs/dbraw/zinc/61/62/79/776616279.db2.gz MBDRXKAUEISZEV-QWRGUYRKSA-N 1 2 295.343 -1.371 20 0 CAADLO CNC(=O)CC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cn(C)nn3)C[C@H]21 ZINC001114181131 776616313 /nfs/dbraw/zinc/61/63/13/776616313.db2.gz XUBGFMOLLHBSNL-IWIIMEHWSA-N 1 2 292.343 -1.502 20 0 CAADLO CNC(=O)CC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cn(C)nn3)C[C@H]21 ZINC001114181131 776616315 /nfs/dbraw/zinc/61/63/15/776616315.db2.gz XUBGFMOLLHBSNL-IWIIMEHWSA-N 1 2 292.343 -1.502 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2c[nH]nc2C)[C@H](O)C1 ZINC001090476079 776616424 /nfs/dbraw/zinc/61/64/24/776616424.db2.gz MBDRXKAUEISZEV-GHMZBOCLSA-N 1 2 295.343 -1.371 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2c[nH]nc2C)[C@H](O)C1 ZINC001090476079 776616426 /nfs/dbraw/zinc/61/64/26/776616426.db2.gz MBDRXKAUEISZEV-GHMZBOCLSA-N 1 2 295.343 -1.371 20 0 CAADLO Cc1nonc1C[NH2+]CCNC(=O)CN1CCOCC1=O ZINC001129547315 776622911 /nfs/dbraw/zinc/62/29/11/776622911.db2.gz ZDMRUTJOINUSNV-UHFFFAOYSA-N 1 2 297.315 -1.557 20 0 CAADLO O=C(CN1CCOCC1=O)NCC[NH2+]Cc1cnsn1 ZINC001129550606 776623223 /nfs/dbraw/zinc/62/32/23/776623223.db2.gz HKFURPRSZGXZTC-UHFFFAOYSA-N 1 2 299.356 -1.397 20 0 CAADLO Cc1noc(C[NH2+]CCNC(=O)CN2CCOCC2=O)n1 ZINC001129546656 776623373 /nfs/dbraw/zinc/62/33/73/776623373.db2.gz NSTCKSZIYQGCEM-UHFFFAOYSA-N 1 2 297.315 -1.557 20 0 CAADLO O=C(CN1CCOCC1=O)NCC[NH2+]Cc1cnon1 ZINC001129574178 776624383 /nfs/dbraw/zinc/62/43/83/776624383.db2.gz XANWQBKWPUFAOL-UHFFFAOYSA-N 1 2 283.288 -1.866 20 0 CAADLO Cc1nonc1C[NH2+]CCNC(=O)c1cc(=O)n(C)cn1 ZINC001129814131 776628874 /nfs/dbraw/zinc/62/88/74/776628874.db2.gz KTDZQLKWPRSFTA-UHFFFAOYSA-N 1 2 292.299 -1.009 20 0 CAADLO COCc1noc(C[NH2+]CCNC(=O)C(C)(C)C(N)=O)n1 ZINC001129931192 776634369 /nfs/dbraw/zinc/63/43/69/776634369.db2.gz KMZMVUCMOAGKLR-UHFFFAOYSA-N 1 2 299.331 -1.067 20 0 CAADLO COCCc1noc(C[N@@H+]2C[C@@H]3C(=O)NC(=O)[C@@H]3C2)n1 ZINC001170468998 776635476 /nfs/dbraw/zinc/63/54/76/776635476.db2.gz KGLJAPQKWUPPND-OCAPTIKFSA-N 1 2 280.284 -1.037 20 0 CAADLO COCCc1noc(C[N@H+]2C[C@@H]3C(=O)NC(=O)[C@@H]3C2)n1 ZINC001170468998 776635481 /nfs/dbraw/zinc/63/54/81/776635481.db2.gz KGLJAPQKWUPPND-OCAPTIKFSA-N 1 2 280.284 -1.037 20 0 CAADLO O=C1NC(=O)[C@@H]2C[N@H+](Cc3ncnn3CCF)C[C@H]12 ZINC001170468248 776635968 /nfs/dbraw/zinc/63/59/68/776635968.db2.gz AULZXMFTLXNXAQ-OCAPTIKFSA-N 1 2 267.264 -1.048 20 0 CAADLO O=C1NC(=O)[C@@H]2C[N@@H+](Cc3ncnn3CCF)C[C@H]12 ZINC001170468248 776635974 /nfs/dbraw/zinc/63/59/74/776635974.db2.gz AULZXMFTLXNXAQ-OCAPTIKFSA-N 1 2 267.264 -1.048 20 0 CAADLO Cn1[nH]c(C[NH2+]CCNC(=O)c2cn[nH]c(=O)c2)nc1=O ZINC001129992522 776637758 /nfs/dbraw/zinc/63/77/58/776637758.db2.gz IQZBPYOWTIXKCQ-UHFFFAOYSA-N 1 2 293.287 -1.876 20 0 CAADLO Cc1[nH]c(=O)[nH]c1C(=O)NCC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001129995262 776638032 /nfs/dbraw/zinc/63/80/32/776638032.db2.gz HBFLMBNCUCEYJW-UHFFFAOYSA-N 1 2 295.303 -1.635 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2[nH]nnc2C)[C@H](O)C1 ZINC001090481527 776642791 /nfs/dbraw/zinc/64/27/91/776642791.db2.gz BRNQFOCAAMRPMA-RKDXNWHRSA-N 1 2 296.331 -1.976 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2[nH]nnc2C)[C@H](O)C1 ZINC001090481527 776642800 /nfs/dbraw/zinc/64/28/00/776642800.db2.gz BRNQFOCAAMRPMA-RKDXNWHRSA-N 1 2 296.331 -1.976 20 0 CAADLO C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC[NH2+]Cc2n[nH]c(=O)[n-]2)O1 ZINC001130182272 776644328 /nfs/dbraw/zinc/64/43/28/776644328.db2.gz ANUZMZFEUDDEAP-RKDXNWHRSA-N 1 2 298.347 -1.565 20 0 CAADLO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC[NH2+]Cc2n[nH]c(=O)[n-]2)O1 ZINC001130182272 776644334 /nfs/dbraw/zinc/64/43/34/776644334.db2.gz ANUZMZFEUDDEAP-RKDXNWHRSA-N 1 2 298.347 -1.565 20 0 CAADLO CN1CC(=O)Nc2cnc(-n3[nH]c(=O)nc3C[NH3+])nc21 ZINC001157933680 776646082 /nfs/dbraw/zinc/64/60/82/776646082.db2.gz HWDLRKCAPOHTQN-UHFFFAOYSA-N 1 2 276.260 -1.390 20 0 CAADLO C[C@H](C(=O)NCC[NH2+]Cc1nnnn1C)S(C)(=O)=O ZINC001130324188 776649780 /nfs/dbraw/zinc/64/97/80/776649780.db2.gz UABDWEKDXMBDJE-SSDOTTSWSA-N 1 2 290.349 -2.151 20 0 CAADLO C[C@@H](C(=O)NCC[NH2+]Cc1ncnn1C)S(C)(=O)=O ZINC001130323046 776650409 /nfs/dbraw/zinc/65/04/09/776650409.db2.gz FDWBLCLDKFSEFF-QMMMGPOBSA-N 1 2 289.361 -1.546 20 0 CAADLO C[C@]1(CO)CCN(C(=O)[C@@H]([NH3+])Cc2nn[nH]n2)C[C@H]1O ZINC001157948051 776655997 /nfs/dbraw/zinc/65/59/97/776655997.db2.gz YSRBXTVXNIKXIV-VAOFZXAKSA-N 1 2 284.320 -2.339 20 0 CAADLO C[C@H]1C[C@@H](C(=O)NCC[NH2+]Cc2nc(=O)n(C)[nH]2)CO1 ZINC001130503453 776657407 /nfs/dbraw/zinc/65/74/07/776657407.db2.gz IGDUFXMPWUNNJB-DTWKUNHWSA-N 1 2 283.332 -1.261 20 0 CAADLO C[C@H]1C[C@H](C(=O)NCC[NH2+]Cc2nc(=O)n(C)[nH]2)CO1 ZINC001130503455 776657930 /nfs/dbraw/zinc/65/79/30/776657930.db2.gz IGDUFXMPWUNNJB-IUCAKERBSA-N 1 2 283.332 -1.261 20 0 CAADLO Cn1cnn(CC(=O)NCC[NH2+]Cc2cnsn2)c1=O ZINC001130588164 776660802 /nfs/dbraw/zinc/66/08/02/776660802.db2.gz OXMQPWYODCEKBG-UHFFFAOYSA-N 1 2 297.344 -1.661 20 0 CAADLO Cc1nonc1C[NH2+]CCNC(=O)Cn1ncn(C)c1=O ZINC001130590950 776662378 /nfs/dbraw/zinc/66/23/78/776662378.db2.gz NSPFWWRCVSONJB-UHFFFAOYSA-N 1 2 295.303 -1.821 20 0 CAADLO Cc1cnc(C[NH2+]CCNC(=O)Cn2ncn(C)c2=O)o1 ZINC001130590739 776662496 /nfs/dbraw/zinc/66/24/96/776662496.db2.gz FFQBJTDKEKUECV-UHFFFAOYSA-N 1 2 294.315 -1.216 20 0 CAADLO CCN1CCOC[C@H]1C(=O)NCC[NH2+]Cc1cnon1 ZINC001130615939 776663988 /nfs/dbraw/zinc/66/39/88/776663988.db2.gz WCFPQSSWQIBBHA-NSHDSACASA-N 1 2 283.332 -1.004 20 0 CAADLO Cn1ncnc1C[NH2+]CCNC(=O)C(=O)NCC(F)F ZINC001130650434 776664309 /nfs/dbraw/zinc/66/43/09/776664309.db2.gz DTSUSIFTSYNECT-UHFFFAOYSA-N 1 2 290.274 -1.598 20 0 CAADLO Cn1c(C(=O)N[C@H]2CC[N@H+](CC(N)=O)C[C@@H]2O)c[nH]c1=O ZINC001090491183 776667547 /nfs/dbraw/zinc/66/75/47/776667547.db2.gz YEYNYMINTDCTNY-CBAPKCEASA-N 1 2 297.315 -2.224 20 0 CAADLO Cn1c(C(=O)N[C@H]2CC[N@@H+](CC(N)=O)C[C@@H]2O)c[nH]c1=O ZINC001090491183 776667554 /nfs/dbraw/zinc/66/75/54/776667554.db2.gz YEYNYMINTDCTNY-CBAPKCEASA-N 1 2 297.315 -2.224 20 0 CAADLO Cn1[nH]c(C[NH2+]CCNC(=O)[C@H]2CCC(=O)NC2)nc1=O ZINC001130702570 776668446 /nfs/dbraw/zinc/66/84/46/776668446.db2.gz QTOWXNCTBRQPKW-QMMMGPOBSA-N 1 2 296.331 -2.160 20 0 CAADLO CCn1ncc(C[NH2+]CCNC(=O)c2cn[nH]n2)n1 ZINC001130745975 776670114 /nfs/dbraw/zinc/67/01/14/776670114.db2.gz VQOBOIMVBJCHIM-UHFFFAOYSA-N 1 2 264.293 -1.064 20 0 CAADLO Cc1nonc1C[NH2+]CCNC(=O)CN1CCCNC1=O ZINC001130784176 776673938 /nfs/dbraw/zinc/67/39/38/776673938.db2.gz GRXARGPTVYIVIC-UHFFFAOYSA-N 1 2 296.331 -1.001 20 0 CAADLO Cc1nnc(C[NH2+]CCNC(=O)CN2CCCNC2=O)o1 ZINC001130784343 776674130 /nfs/dbraw/zinc/67/41/30/776674130.db2.gz ORQPKEDQAYFZAX-UHFFFAOYSA-N 1 2 296.331 -1.001 20 0 CAADLO Cn1nnc(C(=O)N[C@@H]2CC[N@H+](CC(N)=O)C[C@@H]2O)n1 ZINC001090497616 776683661 /nfs/dbraw/zinc/68/36/61/776683661.db2.gz WKHOQJLFGHDSIL-RQJHMYQMSA-N 1 2 283.292 -3.140 20 0 CAADLO Cn1nnc(C(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C[C@@H]2O)n1 ZINC001090497616 776683667 /nfs/dbraw/zinc/68/36/67/776683667.db2.gz WKHOQJLFGHDSIL-RQJHMYQMSA-N 1 2 283.292 -3.140 20 0 CAADLO Cn1nnc(C(=O)N[C@H]2CC[N@H+](CC(N)=O)C[C@H]2O)n1 ZINC001090497608 776683967 /nfs/dbraw/zinc/68/39/67/776683967.db2.gz WKHOQJLFGHDSIL-NKWVEPMBSA-N 1 2 283.292 -3.140 20 0 CAADLO Cn1nnc(C(=O)N[C@H]2CC[N@@H+](CC(N)=O)C[C@H]2O)n1 ZINC001090497608 776683969 /nfs/dbraw/zinc/68/39/69/776683969.db2.gz WKHOQJLFGHDSIL-NKWVEPMBSA-N 1 2 283.292 -3.140 20 0 CAADLO Cn1nnc(C(=O)N[C@@H]2CC[N@H+](CCF)C[C@@H]2O)n1 ZINC001090498341 776686899 /nfs/dbraw/zinc/68/68/99/776686899.db2.gz ZXPVXQNVYHSCBZ-SFYZADRCSA-N 1 2 272.284 -1.655 20 0 CAADLO Cn1nnc(C(=O)N[C@@H]2CC[N@@H+](CCF)C[C@@H]2O)n1 ZINC001090498341 776686903 /nfs/dbraw/zinc/68/69/03/776686903.db2.gz ZXPVXQNVYHSCBZ-SFYZADRCSA-N 1 2 272.284 -1.655 20 0 CAADLO Cn1nnc(C(=O)N[C@H]2CC[N@H+](CCF)C[C@@H]2O)n1 ZINC001090498343 776686999 /nfs/dbraw/zinc/68/69/99/776686999.db2.gz ZXPVXQNVYHSCBZ-YUMQZZPRSA-N 1 2 272.284 -1.655 20 0 CAADLO Cn1nnc(C(=O)N[C@H]2CC[N@@H+](CCF)C[C@@H]2O)n1 ZINC001090498343 776687003 /nfs/dbraw/zinc/68/70/03/776687003.db2.gz ZXPVXQNVYHSCBZ-YUMQZZPRSA-N 1 2 272.284 -1.655 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)[C@H](O)C1 ZINC001090498685 776688626 /nfs/dbraw/zinc/68/86/26/776688626.db2.gz DQQWWPAKBKBXFE-VLLVSFFDSA-N 1 2 297.355 -1.824 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)[C@H](O)C1 ZINC001090498685 776688630 /nfs/dbraw/zinc/68/86/30/776688630.db2.gz DQQWWPAKBKBXFE-VLLVSFFDSA-N 1 2 297.355 -1.824 20 0 CAADLO Cc1cnn(C)c1C(=O)N[C@H]1CC[N@H+](CC(N)=O)C[C@@H]1O ZINC001090500396 776691146 /nfs/dbraw/zinc/69/11/46/776691146.db2.gz OBRHKTULHNLFKE-UWVGGRQHSA-N 1 2 295.343 -1.621 20 0 CAADLO Cc1cnn(C)c1C(=O)N[C@H]1CC[N@@H+](CC(N)=O)C[C@@H]1O ZINC001090500396 776691149 /nfs/dbraw/zinc/69/11/49/776691149.db2.gz OBRHKTULHNLFKE-UWVGGRQHSA-N 1 2 295.343 -1.621 20 0 CAADLO C[C@H]1CO[C@H](C(=O)NCC[NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001131527489 776693043 /nfs/dbraw/zinc/69/30/43/776693043.db2.gz VFDAKZINWXSHAW-BDAKNGLRSA-N 1 2 283.332 -1.261 20 0 CAADLO CNS(=O)(=O)NCC(=O)NCC[NH2+]Cc1cnon1 ZINC001131831969 776705842 /nfs/dbraw/zinc/70/58/42/776705842.db2.gz VBADGNAYFMOIIY-UHFFFAOYSA-N 1 2 292.321 -2.671 20 0 CAADLO COc1nc(C(=O)NCC[NH2+]Cc2nc(=O)n(C)[nH]2)co1 ZINC001131920798 776709560 /nfs/dbraw/zinc/70/95/60/776709560.db2.gz IRVSTWDSXFPEKQ-UHFFFAOYSA-N 1 2 296.287 -1.375 20 0 CAADLO Cn1[nH]c(C[NH2+]CCNC(=O)c2csnn2)nc1=O ZINC001131972788 776711936 /nfs/dbraw/zinc/71/19/36/776711936.db2.gz TUXOTXMSDKAZMI-UHFFFAOYSA-N 1 2 283.317 -1.521 20 0 CAADLO C[C@@H]1CC[C@H](NC(=O)C(C)(C)C(N)=O)C[N@@H+]1CC(N)=O ZINC001132119455 776712407 /nfs/dbraw/zinc/71/24/07/776712407.db2.gz CBUMIQZRDHCSQM-BDAKNGLRSA-N 1 2 284.360 -1.048 20 0 CAADLO C[C@@H]1CC[C@H](NC(=O)C(C)(C)C(N)=O)C[N@H+]1CC(N)=O ZINC001132119455 776712410 /nfs/dbraw/zinc/71/24/10/776712410.db2.gz CBUMIQZRDHCSQM-BDAKNGLRSA-N 1 2 284.360 -1.048 20 0 CAADLO C[C@H]1CC[C@H](NC(=O)C(N)=O)C[N@@H+]1CC(=O)NCC1CC1 ZINC001132252739 776716795 /nfs/dbraw/zinc/71/67/95/776716795.db2.gz JKJMGIXNLZMEJA-ONGXEEELSA-N 1 2 296.371 -1.033 20 0 CAADLO C[C@H]1CC[C@H](NC(=O)C(N)=O)C[N@H+]1CC(=O)NCC1CC1 ZINC001132252739 776716797 /nfs/dbraw/zinc/71/67/97/776716797.db2.gz JKJMGIXNLZMEJA-ONGXEEELSA-N 1 2 296.371 -1.033 20 0 CAADLO CCCNC(=O)C[N@@H+]1C[C@H](NC(=O)C(N)=O)CC[C@@H]1C ZINC001132253086 776717203 /nfs/dbraw/zinc/71/72/03/776717203.db2.gz OIZCZQNNGWJZTE-VHSXEESVSA-N 1 2 284.360 -1.033 20 0 CAADLO CCCNC(=O)C[N@H+]1C[C@H](NC(=O)C(N)=O)CC[C@@H]1C ZINC001132253086 776717210 /nfs/dbraw/zinc/71/72/10/776717210.db2.gz OIZCZQNNGWJZTE-VHSXEESVSA-N 1 2 284.360 -1.033 20 0 CAADLO CCCNC(=O)C[N@@H+]1C[C@@H](NC(=O)C(N)=O)CC[C@H]1C ZINC001132253087 776717286 /nfs/dbraw/zinc/71/72/86/776717286.db2.gz OIZCZQNNGWJZTE-ZJUUUORDSA-N 1 2 284.360 -1.033 20 0 CAADLO CCCNC(=O)C[N@H+]1C[C@@H](NC(=O)C(N)=O)CC[C@H]1C ZINC001132253087 776717289 /nfs/dbraw/zinc/71/72/89/776717289.db2.gz OIZCZQNNGWJZTE-ZJUUUORDSA-N 1 2 284.360 -1.033 20 0 CAADLO CCN(C)C(=O)C[N@@H+]1C[C@H](NC(=O)C(N)=O)CC[C@H]1C ZINC001132252424 776717604 /nfs/dbraw/zinc/71/76/04/776717604.db2.gz FDJGOZFGZQBEBR-NXEZZACHSA-N 1 2 284.360 -1.081 20 0 CAADLO CCN(C)C(=O)C[N@H+]1C[C@H](NC(=O)C(N)=O)CC[C@H]1C ZINC001132252424 776717609 /nfs/dbraw/zinc/71/76/09/776717609.db2.gz FDJGOZFGZQBEBR-NXEZZACHSA-N 1 2 284.360 -1.081 20 0 CAADLO C[C@@H]1CC[C@@H](NC(=O)C(N)=O)C[N@@H+]1CC(=O)NCC1CC1 ZINC001132252738 776717651 /nfs/dbraw/zinc/71/76/51/776717651.db2.gz JKJMGIXNLZMEJA-MWLCHTKSSA-N 1 2 296.371 -1.033 20 0 CAADLO C[C@@H]1CC[C@@H](NC(=O)C(N)=O)C[N@H+]1CC(=O)NCC1CC1 ZINC001132252738 776717657 /nfs/dbraw/zinc/71/76/57/776717657.db2.gz JKJMGIXNLZMEJA-MWLCHTKSSA-N 1 2 296.371 -1.033 20 0 CAADLO Cc1nn[nH]c1C(=O)NCC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001132229790 776717865 /nfs/dbraw/zinc/71/78/65/776717865.db2.gz YSWCITYFBAXKHD-UHFFFAOYSA-N 1 2 280.292 -1.945 20 0 CAADLO CCNC(=O)C[N@@H+]1C[C@H](NC(=O)C(N)=O)CC[C@@H]1C ZINC001132253781 776718841 /nfs/dbraw/zinc/71/88/41/776718841.db2.gz ZJUCJAOBCUHIOX-DTWKUNHWSA-N 1 2 270.333 -1.423 20 0 CAADLO CCNC(=O)C[N@H+]1C[C@H](NC(=O)C(N)=O)CC[C@@H]1C ZINC001132253781 776718848 /nfs/dbraw/zinc/71/88/48/776718848.db2.gz ZJUCJAOBCUHIOX-DTWKUNHWSA-N 1 2 270.333 -1.423 20 0 CAADLO C[C@@H]1CC[C@H](NC(=O)C2(C(N)=O)CC2)C[N@@H+]1CC(N)=O ZINC001132261906 776719457 /nfs/dbraw/zinc/71/94/57/776719457.db2.gz PTBCACBXEMXTEP-BDAKNGLRSA-N 1 2 282.344 -1.294 20 0 CAADLO C[C@@H]1CC[C@H](NC(=O)C2(C(N)=O)CC2)C[N@H+]1CC(N)=O ZINC001132261906 776719460 /nfs/dbraw/zinc/71/94/60/776719460.db2.gz PTBCACBXEMXTEP-BDAKNGLRSA-N 1 2 282.344 -1.294 20 0 CAADLO Cc1cnc(C[NH2+]CCNC(=O)CN2CCNC(=O)C2)o1 ZINC001132317321 776721271 /nfs/dbraw/zinc/72/12/71/776721271.db2.gz BTYKWOGJULGSCZ-UHFFFAOYSA-N 1 2 295.343 -1.379 20 0 CAADLO Cn1[nH]c(C[NH2+]CCNC(=O)[C@H]2CC[C@@H]2C(N)=O)nc1=O ZINC001132337273 776722988 /nfs/dbraw/zinc/72/29/88/776722988.db2.gz IMGNYJQUVGOTKX-YUMQZZPRSA-N 1 2 296.331 -2.174 20 0 CAADLO O=C(CN1CCNC(=O)C1)NCC[NH2+]Cc1cnon1 ZINC001132320887 776724296 /nfs/dbraw/zinc/72/42/96/776724296.db2.gz YLOBKEVJGCEBPB-UHFFFAOYSA-N 1 2 282.304 -2.293 20 0 CAADLO C[C@@H](CC(N)=O)C(=O)NCC[NH2+]Cc1cnon1 ZINC001132345903 776726046 /nfs/dbraw/zinc/72/60/46/776726046.db2.gz XTWZYIGGKSZHBX-ZETCQYMHSA-N 1 2 255.278 -1.213 20 0 CAADLO CNC(=O)C1(C(=O)N[C@H]2CC[C@H](C)[N@H+](CC(N)=O)C2)CC1 ZINC001132348711 776726109 /nfs/dbraw/zinc/72/61/09/776726109.db2.gz QYZGTCIZUUNMQU-UWVGGRQHSA-N 1 2 296.371 -1.033 20 0 CAADLO CNC(=O)C1(C(=O)N[C@H]2CC[C@H](C)[N@@H+](CC(N)=O)C2)CC1 ZINC001132348711 776726111 /nfs/dbraw/zinc/72/61/11/776726111.db2.gz QYZGTCIZUUNMQU-UWVGGRQHSA-N 1 2 296.371 -1.033 20 0 CAADLO Cc1noc(C[NH2+]CCNC(=O)[C@@H]2CCNC2=O)n1 ZINC001132356035 776727896 /nfs/dbraw/zinc/72/78/96/776727896.db2.gz PHQPEZUSYIRWMF-MRVPVSSYSA-N 1 2 267.289 -1.280 20 0 CAADLO O=C(NCC[NH2+]Cc1csnn1)[C@H]1CCNC1=O ZINC001132358258 776728973 /nfs/dbraw/zinc/72/89/73/776728973.db2.gz CAPYGLPICAHSLY-QMMMGPOBSA-N 1 2 269.330 -1.120 20 0 CAADLO O=C(NCC[NH2+]Cc1ncccn1)[C@H]1CCNC1=O ZINC001132358266 776730000 /nfs/dbraw/zinc/73/00/00/776730000.db2.gz CIZRWJMBVHXJPA-VIFPVBQESA-N 1 2 263.301 -1.182 20 0 CAADLO CCc1nnc(C[NH2+]CCNC(=O)[C@@H]2CCNC2=O)o1 ZINC001132359398 776730874 /nfs/dbraw/zinc/73/08/74/776730874.db2.gz OWCNVGGXKJRFTC-MRVPVSSYSA-N 1 2 281.316 -1.026 20 0 CAADLO CN1C[C@@H](C(=O)NCC[NH2+]Cc2nncs2)NC1=O ZINC001132386498 776732776 /nfs/dbraw/zinc/73/27/76/776732776.db2.gz ISEWXOUBOSMRRY-ZETCQYMHSA-N 1 2 284.345 -1.233 20 0 CAADLO CCc1nnc(C[NH2+]CCNC(=O)[C@@H]2CN(C)C(=O)N2)o1 ZINC001132386956 776733340 /nfs/dbraw/zinc/73/33/40/776733340.db2.gz MUWGHCWAGAYAMK-QMMMGPOBSA-N 1 2 296.331 -1.139 20 0 CAADLO O=C(NCC[NH2+]Cc1nncs1)[C@H]1CCNC1=O ZINC001132375850 776734283 /nfs/dbraw/zinc/73/42/83/776734283.db2.gz KKGODNMHPKPHSE-ZETCQYMHSA-N 1 2 269.330 -1.120 20 0 CAADLO CCc1noc(C[NH2+]CCNC(=O)[C@@H]2CN(C)C(=O)N2)n1 ZINC001132387657 776734299 /nfs/dbraw/zinc/73/42/99/776734299.db2.gz XKSCWMPDDSAFLA-QMMMGPOBSA-N 1 2 296.331 -1.139 20 0 CAADLO CCc1noc(C[NH2+]CCNC(=O)[C@H]2CCNC2=O)n1 ZINC001132376052 776734761 /nfs/dbraw/zinc/73/47/61/776734761.db2.gz MNGXDUPCWBAOPG-QMMMGPOBSA-N 1 2 281.316 -1.026 20 0 CAADLO CN1C[C@@H](C(=O)NCC[NH2+]Cc2cnon2)NC1=O ZINC001132387743 776735251 /nfs/dbraw/zinc/73/52/51/776735251.db2.gz ZEPWFHTZHZSBPK-QMMMGPOBSA-N 1 2 268.277 -1.701 20 0 CAADLO Cc1nnc(C[NH2+]CCNC(=O)[C@@H]2CN(C)C(=O)N2)o1 ZINC001132382002 776736426 /nfs/dbraw/zinc/73/64/26/776736426.db2.gz AKNKJHYOMYELJU-QMMMGPOBSA-N 1 2 282.304 -1.393 20 0 CAADLO CN1C[C@H](C(=O)NCC[NH2+]Cc2nc(=O)n(C)[nH]2)NC1=O ZINC001132382550 776737050 /nfs/dbraw/zinc/73/70/50/776737050.db2.gz MXRPNHPCJLLPLU-SSDOTTSWSA-N 1 2 297.319 -2.662 20 0 CAADLO Cn1nnc(C[NH2+]CCCNC(=O)CCCCC(N)=O)n1 ZINC001170613556 776738740 /nfs/dbraw/zinc/73/87/40/776738740.db2.gz XJTPSKRZNICGHA-UHFFFAOYSA-N 1 2 297.363 -1.148 20 0 CAADLO Cc1nonc1C[NH2+]CCNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001132383124 776739120 /nfs/dbraw/zinc/73/91/20/776739120.db2.gz YHVTXANMGNZCMX-VIFPVBQESA-N 1 2 282.304 -1.393 20 0 CAADLO Cn1[nH]c(C[NH2+]CCNC(=O)[C@@H]2CCC(=O)N2C)nc1=O ZINC001132519909 776740274 /nfs/dbraw/zinc/74/02/74/776740274.db2.gz QMWAUIMWDVTEKX-QMMMGPOBSA-N 1 2 296.331 -2.065 20 0 CAADLO Cn1nnc(C(=O)NCC[NH2+]Cc2nc(C3CC3)no2)n1 ZINC001132523533 776740551 /nfs/dbraw/zinc/74/05/51/776740551.db2.gz MWLBGKDYXJPYHI-UHFFFAOYSA-N 1 2 292.303 -1.010 20 0 CAADLO Cc1nonc1C[NH2+]CCNC(=O)c1nnn(C)n1 ZINC001132523781 776741496 /nfs/dbraw/zinc/74/14/96/776741496.db2.gz YPCGJTUXPGUBIS-UHFFFAOYSA-N 1 2 266.265 -1.579 20 0 CAADLO Cn1nnc(C(=O)NCC[NH2+]Cc2cnon2)n1 ZINC001132527415 776743254 /nfs/dbraw/zinc/74/32/54/776743254.db2.gz ZBMXZZXLLUOQBN-UHFFFAOYSA-N 1 2 252.238 -1.887 20 0 CAADLO Cn1nnc(C(=O)NCC[NH2+]Cc2cnsn2)n1 ZINC001132523328 776743534 /nfs/dbraw/zinc/74/35/34/776743534.db2.gz DEQFSXRRCFFTNR-UHFFFAOYSA-N 1 2 268.306 -1.419 20 0 CAADLO CN1CC[C@@H](C(=O)NCC[NH2+]Cc2cnon2)C1=O ZINC001132612777 776744260 /nfs/dbraw/zinc/74/42/60/776744260.db2.gz QQQQDNMCOUWSLD-VIFPVBQESA-N 1 2 267.289 -1.246 20 0 CAADLO O=C(NCC[NH2+]Cc1cnon1)c1c[nH]c(=O)cn1 ZINC001133009487 776756712 /nfs/dbraw/zinc/75/67/12/776756712.db2.gz HFNOWHCRRWUSKJ-UHFFFAOYSA-N 1 2 264.245 -1.328 20 0 CAADLO Cn1[nH]c(C[NH2+]CCNC(=O)c2c[nH]c(=O)cn2)nc1=O ZINC001133013571 776757913 /nfs/dbraw/zinc/75/79/13/776757913.db2.gz PDQVYBQTGPRTMW-UHFFFAOYSA-N 1 2 293.287 -2.289 20 0 CAADLO Cc1nnc(C[NH2+]CCNC(=O)[C@@H]2CNC(=O)N2)o1 ZINC001133111822 776759075 /nfs/dbraw/zinc/75/90/75/776759075.db2.gz PCUHQSAKGIPIHN-ZETCQYMHSA-N 1 2 268.277 -1.735 20 0 CAADLO CCc1nnc(C[NH2+]CCNC(=O)[C@@H]2CNC(=O)N2)o1 ZINC001133111771 776759100 /nfs/dbraw/zinc/75/91/00/776759100.db2.gz NSFUGZSPNRREGA-ZETCQYMHSA-N 1 2 282.304 -1.481 20 0 CAADLO Cc1nnc(C[NH2+]CCNC(=O)[C@H]2CNC(=O)N2)o1 ZINC001133111821 776759224 /nfs/dbraw/zinc/75/92/24/776759224.db2.gz PCUHQSAKGIPIHN-SSDOTTSWSA-N 1 2 268.277 -1.735 20 0 CAADLO O=C(NCC[NH2+]Cc1nncs1)[C@@H]1CNC(=O)N1 ZINC001133115062 776760163 /nfs/dbraw/zinc/76/01/63/776760163.db2.gz DXZMVQCFADVQJF-LURJTMIESA-N 1 2 270.318 -1.575 20 0 CAADLO O=C(NCC[NH2+]Cc1cnon1)[C@@H]1CNC(=O)N1 ZINC001133115245 776761748 /nfs/dbraw/zinc/76/17/48/776761748.db2.gz IRMXVPRUANCSIQ-ZETCQYMHSA-N 1 2 254.250 -2.043 20 0 CAADLO CCc1noc(C[NH2+]CCNC(=O)[C@H]2CNC(=O)N2)n1 ZINC001133115861 776762026 /nfs/dbraw/zinc/76/20/26/776762026.db2.gz SJQLFXGRFNVYBK-SSDOTTSWSA-N 1 2 282.304 -1.481 20 0 CAADLO C[C@H]([NH2+]CCNC(=O)[C@H]1CNC(=O)N1)c1csnn1 ZINC001133116410 776762802 /nfs/dbraw/zinc/76/28/02/776762802.db2.gz ZNZRELKLPPBEHU-NKWVEPMBSA-N 1 2 284.345 -1.014 20 0 CAADLO Cc1noc([C@@H](C)[NH2+]CCNC(=O)[C@@H]2CNC(=O)N2)n1 ZINC001133121733 776763133 /nfs/dbraw/zinc/76/31/33/776763133.db2.gz MEEGRZORTIRKBR-SVRRBLITSA-N 1 2 282.304 -1.174 20 0 CAADLO Cc1ccnc(C[NH2+]CCNC(=O)[C@@H]2CNC(=O)N2)n1 ZINC001133128922 776764469 /nfs/dbraw/zinc/76/44/69/776764469.db2.gz QMVFCBIAWZZXFG-VIFPVBQESA-N 1 2 278.316 -1.328 20 0 CAADLO Cc1ccnc(C[NH2+]CCNC(=O)[C@H]2CNC(=O)N2)n1 ZINC001133128921 776764663 /nfs/dbraw/zinc/76/46/63/776764663.db2.gz QMVFCBIAWZZXFG-SECBINFHSA-N 1 2 278.316 -1.328 20 0 CAADLO Cc1cnc(C[NH2+]CCNC(=O)[C@H]2CNC(=O)N2)o1 ZINC001133129030 776765892 /nfs/dbraw/zinc/76/58/92/776765892.db2.gz UGSDXDMUIJXGRB-MRVPVSSYSA-N 1 2 267.289 -1.130 20 0 CAADLO O=C(NCC[NH2+]Cc1ncccn1)[C@H]1CNC(=O)N1 ZINC001133129459 776766057 /nfs/dbraw/zinc/76/60/57/776766057.db2.gz ZDXVYIZYFUWOPQ-MRVPVSSYSA-N 1 2 264.289 -1.636 20 0 CAADLO COCc1noc(C[NH2+]CCNC(=O)[C@@H]2CNC(=O)N2)n1 ZINC001133129372 776766369 /nfs/dbraw/zinc/76/63/69/776766369.db2.gz XOUFXIIDNYYSNC-ZETCQYMHSA-N 1 2 298.303 -1.897 20 0 CAADLO Cc1nonc1C[NH2+]CCNC(=O)C1(C(N)=O)CC1 ZINC001133184820 776767475 /nfs/dbraw/zinc/76/74/75/776767475.db2.gz IFFNYADJQPBSNP-UHFFFAOYSA-N 1 2 267.289 -1.151 20 0 CAADLO CC(C)c1nnc(C[NH2+]CCNC(=O)C(N)=O)[nH]1 ZINC001133206155 776771959 /nfs/dbraw/zinc/77/19/59/776771959.db2.gz JHQPSJPHYIUIBX-UHFFFAOYSA-N 1 2 254.294 -1.381 20 0 CAADLO NC(=O)C(=O)NCC[NH2+]Cc1cn(CC2CC2)nn1 ZINC001133206165 776772079 /nfs/dbraw/zinc/77/20/79/776772079.db2.gz JOFLNPAWYOMKKL-UHFFFAOYSA-N 1 2 266.305 -1.621 20 0 CAADLO CC(C)(C)n1ncnc1C[NH2+]CCNC(=O)C(N)=O ZINC001133206401 776772209 /nfs/dbraw/zinc/77/22/09/776772209.db2.gz PBBVVKHOFRVZTE-UHFFFAOYSA-N 1 2 268.321 -1.276 20 0 CAADLO NC(=O)C(=O)NCC[NH2+]Cc1ncnn1CCF ZINC001133206457 776772239 /nfs/dbraw/zinc/77/22/39/776772239.db2.gz RGYXBCISGUKDFV-UHFFFAOYSA-N 1 2 258.257 -2.061 20 0 CAADLO CC(C)n1ncnc1C[NH2+]CCNC(=O)C(N)=O ZINC001133205868 776772525 /nfs/dbraw/zinc/77/25/25/776772525.db2.gz AEQIKFGFLIALKX-UHFFFAOYSA-N 1 2 254.294 -1.450 20 0 CAADLO CC(C)Cn1ncnc1C[NH2+]CCNC(=O)C(N)=O ZINC001133206437 776772539 /nfs/dbraw/zinc/77/25/39/776772539.db2.gz QUMGOQRUWNLGRS-UHFFFAOYSA-N 1 2 268.321 -1.375 20 0 CAADLO CC(C)c1nnc(C[NH2+]CCNC(=O)C(N)=O)n1C ZINC001133205922 776772622 /nfs/dbraw/zinc/77/26/22/776772622.db2.gz CRQGDDSJDYXXKN-UHFFFAOYSA-N 1 2 268.321 -1.370 20 0 CAADLO COCc1nc(C[NH2+]CCNC(=O)C(N)=O)cs1 ZINC001133206367 776772659 /nfs/dbraw/zinc/77/26/59/776772659.db2.gz NIBQNXCHDUFAEX-UHFFFAOYSA-N 1 2 272.330 -1.019 20 0 CAADLO CCCn1c(C)nnc1C[NH2+]CCNC(=O)C(N)=O ZINC001133206435 776772831 /nfs/dbraw/zinc/77/28/31/776772831.db2.gz QPWVPILQQNKADT-UHFFFAOYSA-N 1 2 268.321 -1.312 20 0 CAADLO NC(=O)C(=O)NCC[NH2+]Cc1nnc2n1CCOC2 ZINC001133206337 776772840 /nfs/dbraw/zinc/77/28/40/776772840.db2.gz MFJAULLGWZCNGX-UHFFFAOYSA-N 1 2 268.277 -2.501 20 0 CAADLO CN1CC(C(=O)NCC[NH2+]Cc2cnnn2C)=NC1=O ZINC001133335509 776775845 /nfs/dbraw/zinc/77/58/45/776775845.db2.gz XUAQUXSLJKKIFI-UHFFFAOYSA-N 1 2 279.304 -1.226 20 0 CAADLO C[C@H]1COCC[C@@H]1C(=O)NCC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001133496376 776779686 /nfs/dbraw/zinc/77/96/86/776779686.db2.gz JGFXYQFLNGRGMT-UWVGGRQHSA-N 1 2 297.359 -1.013 20 0 CAADLO C[C@H]1COCC[C@H]1C(=O)NCC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001133496377 776779863 /nfs/dbraw/zinc/77/98/63/776779863.db2.gz JGFXYQFLNGRGMT-VHSXEESVSA-N 1 2 297.359 -1.013 20 0 CAADLO C[C@@]1(C(=O)NCC[NH2+]Cc2cnon2)CCC(=O)N1 ZINC001133474082 776780061 /nfs/dbraw/zinc/78/00/61/776780061.db2.gz XSLHUFDTAUAQIU-NSHDSACASA-N 1 2 267.289 -1.056 20 0 CAADLO Cc1nnc(C[NH2+]CCNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)o1 ZINC001133773745 776786765 /nfs/dbraw/zinc/78/67/65/776786765.db2.gz LGUWHSGLUZIZMN-DTWKUNHWSA-N 1 2 297.315 -1.383 20 0 CAADLO NC(=O)[C@@H]1CC[C@H](C(=O)NCC[NH2+]Cc2csnn2)O1 ZINC001133774148 776788462 /nfs/dbraw/zinc/78/84/62/776788462.db2.gz RLNXWXMIOPYCOQ-DTWKUNHWSA-N 1 2 299.356 -1.223 20 0 CAADLO NC(=O)[C@@H]1C[C@@H]1C(=O)NCC[NH2+]Cc1cnon1 ZINC001133908325 776792628 /nfs/dbraw/zinc/79/26/28/776792628.db2.gz MOQFTTZUEXGCNL-SFYZADRCSA-N 1 2 253.262 -1.603 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)Cc2cnoc2)[C@H](O)C1 ZINC001090514791 776795919 /nfs/dbraw/zinc/79/59/19/776795919.db2.gz PLXWIQPRGQCMPB-WDEREUQCSA-N 1 2 296.327 -1.486 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)Cc2cnoc2)[C@H](O)C1 ZINC001090514791 776795922 /nfs/dbraw/zinc/79/59/22/776795922.db2.gz PLXWIQPRGQCMPB-WDEREUQCSA-N 1 2 296.327 -1.486 20 0 CAADLO CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)NCC[NH2+]Cc1cnon1 ZINC001133925266 776795937 /nfs/dbraw/zinc/79/59/37/776795937.db2.gz HMUKZMDQNOLPSH-VHSXEESVSA-N 1 2 281.316 -1.000 20 0 CAADLO Cc1noc(C[NH2+]CCNC(=O)[C@H]2C[C@H]2C(N)=O)n1 ZINC001133942769 776797441 /nfs/dbraw/zinc/79/74/41/776797441.db2.gz GMCCHONSGZQIBZ-SFYZADRCSA-N 1 2 267.289 -1.295 20 0 CAADLO NC(=O)[C@@H]1C[C@@H]1C(=O)NCC[NH2+]Cc1ncccn1 ZINC001133943293 776797559 /nfs/dbraw/zinc/79/75/59/776797559.db2.gz MVCUCNWEPABTIO-BDAKNGLRSA-N 1 2 263.301 -1.196 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cc2cnoc2)[C@H](O)C1 ZINC001090514333 776798224 /nfs/dbraw/zinc/79/82/24/776798224.db2.gz NUYYNBZKVYLNPQ-NXEZZACHSA-N 1 2 282.300 -1.746 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)Cc2cnoc2)[C@H](O)C1 ZINC001090514333 776798231 /nfs/dbraw/zinc/79/82/31/776798231.db2.gz NUYYNBZKVYLNPQ-NXEZZACHSA-N 1 2 282.300 -1.746 20 0 CAADLO Cn1cc(C[NH2+]CCNC(=O)CCc2cn[nH]n2)nn1 ZINC001134016235 776799600 /nfs/dbraw/zinc/79/96/00/776799600.db2.gz DGUWHWPDTRFEHM-UHFFFAOYSA-N 1 2 278.320 -1.228 20 0 CAADLO Cn1cc(C[NH2+]CCNC(=O)CCc2c[nH]nn2)nn1 ZINC001134016235 776799611 /nfs/dbraw/zinc/79/96/11/776799611.db2.gz DGUWHWPDTRFEHM-UHFFFAOYSA-N 1 2 278.320 -1.228 20 0 CAADLO Cc1nc(C)c(C(=O)NCC[NH2+]Cc2nc(=O)n(C)[nH]2)[nH]1 ZINC001133989920 776800035 /nfs/dbraw/zinc/80/00/35/776800035.db2.gz ZIRZUZFXOHHWEM-UHFFFAOYSA-N 1 2 293.331 -1.032 20 0 CAADLO Cn1[nH]c(C[NH2+]CCCNC(=O)Cc2nnc[nH]2)nc1=O ZINC001170717474 776801327 /nfs/dbraw/zinc/80/13/27/776801327.db2.gz RBNMOYXNKYEHMS-UHFFFAOYSA-N 1 2 294.319 -1.935 20 0 CAADLO Cn1cnnc1C[NH2+]CCNC(=O)CCc1cn[nH]n1 ZINC001134014115 776803074 /nfs/dbraw/zinc/80/30/74/776803074.db2.gz NIYANWMSPIBGPF-UHFFFAOYSA-N 1 2 278.320 -1.228 20 0 CAADLO Cn1cnnc1C[NH2+]CCNC(=O)CCc1c[nH]nn1 ZINC001134014115 776803085 /nfs/dbraw/zinc/80/30/85/776803085.db2.gz NIYANWMSPIBGPF-UHFFFAOYSA-N 1 2 278.320 -1.228 20 0 CAADLO O=C(NCC[NH2+]Cc1nncs1)[C@@H]1CC(=O)NC(=O)N1 ZINC001134456429 776817644 /nfs/dbraw/zinc/81/76/44/776817644.db2.gz VBJCMZXWXKZFHA-LURJTMIESA-N 1 2 298.328 -1.658 20 0 CAADLO Cc1nnc(C[NH2+]CCNC(=O)[C@@H]2CC(=O)NC(=O)N2)o1 ZINC001134460631 776817814 /nfs/dbraw/zinc/81/78/14/776817814.db2.gz GBPZBOUCSJXQPI-ZETCQYMHSA-N 1 2 296.287 -1.818 20 0 CAADLO Cc1ncc(C(=O)N[C@@H]2CC[N@H+](CC(N)=O)C[C@@H]2O)n1C ZINC001090519961 776823751 /nfs/dbraw/zinc/82/37/51/776823751.db2.gz MPTHMLUYVUGKQJ-KOLCDFICSA-N 1 2 295.343 -1.621 20 0 CAADLO Cc1ncc(C(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C[C@@H]2O)n1C ZINC001090519961 776823762 /nfs/dbraw/zinc/82/37/62/776823762.db2.gz MPTHMLUYVUGKQJ-KOLCDFICSA-N 1 2 295.343 -1.621 20 0 CAADLO Cc1ncc(C(=O)N[C@@H]2CC[N@H+](CC(N)=O)C[C@H]2O)n1C ZINC001090519962 776824319 /nfs/dbraw/zinc/82/43/19/776824319.db2.gz MPTHMLUYVUGKQJ-MWLCHTKSSA-N 1 2 295.343 -1.621 20 0 CAADLO Cc1ncc(C(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C[C@H]2O)n1C ZINC001090519962 776824329 /nfs/dbraw/zinc/82/43/29/776824329.db2.gz MPTHMLUYVUGKQJ-MWLCHTKSSA-N 1 2 295.343 -1.621 20 0 CAADLO CN(C)C(=O)CC(=O)NCC[NH2+]Cc1cnon1 ZINC001134933497 776831550 /nfs/dbraw/zinc/83/15/50/776831550.db2.gz WZQKWTCAMHXEKI-UHFFFAOYSA-N 1 2 255.278 -1.246 20 0 CAADLO Cn1cc(C[NH2+][C@H](CO)CNC(=O)[C@@H]2CCNC2=O)nn1 ZINC001283792667 777918302 /nfs/dbraw/zinc/91/83/02/777918302.db2.gz NGIYAYLRUAEZMS-VHSXEESVSA-N 1 2 296.331 -2.482 20 0 CAADLO COc1nscc1C[NH2+][C@H](CO)CNC(=O)C(N)=O ZINC001283795774 777918482 /nfs/dbraw/zinc/91/84/82/777918482.db2.gz HIPNEPVIWDJBTB-ZETCQYMHSA-N 1 2 288.329 -1.796 20 0 CAADLO NC(=O)C(=O)N1CC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001283872075 777923889 /nfs/dbraw/zinc/92/38/89/777923889.db2.gz QTORFUJVNWQBEN-SECBINFHSA-N 1 2 279.300 -1.455 20 0 CAADLO NC(=O)C(=O)N1CC[C@@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001283872075 777923893 /nfs/dbraw/zinc/92/38/93/777923893.db2.gz QTORFUJVNWQBEN-SECBINFHSA-N 1 2 279.300 -1.455 20 0 CAADLO NC(=O)CC(=O)N[C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001283847941 777923921 /nfs/dbraw/zinc/92/39/21/777923921.db2.gz KPPUSOBPLSCGDZ-SNVBAGLBSA-N 1 2 293.327 -1.134 20 0 CAADLO CNC(=O)CC(=O)N[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001284026256 777926249 /nfs/dbraw/zinc/92/62/49/777926249.db2.gz JLIZHFWHVLREFL-VIFPVBQESA-N 1 2 293.327 -1.195 20 0 CAADLO NC(=O)CC(=O)N[C@H]1C[C@@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001284085299 777928161 /nfs/dbraw/zinc/92/81/61/777928161.db2.gz HNOSSMNUCXZTDV-AOOOYVTPSA-N 1 2 293.327 -1.088 20 0 CAADLO CCCc1noc(C[NH2+]C[C@H](O)CN(C)C(=O)C(N)=O)n1 ZINC001284443779 777942947 /nfs/dbraw/zinc/94/29/47/777942947.db2.gz GCOKCKFVBVSPNU-QMMMGPOBSA-N 1 2 299.331 -1.584 20 0 CAADLO CN(CCNC(=O)CC(N)=O)C(=O)CCc1c[nH+]cn1C ZINC001284506112 777947334 /nfs/dbraw/zinc/94/73/34/777947334.db2.gz OUVNZJIXUDWRTJ-UHFFFAOYSA-N 1 2 295.343 -1.197 20 0 CAADLO C[C@H](c1ncccn1)[N@H+](C)C[C@H](O)CN(C)C(=O)C(N)=O ZINC001284510225 777948193 /nfs/dbraw/zinc/94/81/93/777948193.db2.gz VQHZPULXHRDEIM-ZJUUUORDSA-N 1 2 295.343 -1.226 20 0 CAADLO C[C@H](c1ncccn1)[N@@H+](C)C[C@H](O)CN(C)C(=O)C(N)=O ZINC001284510225 777948197 /nfs/dbraw/zinc/94/81/97/777948197.db2.gz VQHZPULXHRDEIM-ZJUUUORDSA-N 1 2 295.343 -1.226 20 0 CAADLO C[C@H](c1ncccn1)[N@H+](C)C[C@@H](O)CN(C)C(=O)C(N)=O ZINC001284510219 777948712 /nfs/dbraw/zinc/94/87/12/777948712.db2.gz VQHZPULXHRDEIM-NXEZZACHSA-N 1 2 295.343 -1.226 20 0 CAADLO C[C@H](c1ncccn1)[N@@H+](C)C[C@@H](O)CN(C)C(=O)C(N)=O ZINC001284510219 777948720 /nfs/dbraw/zinc/94/87/20/777948720.db2.gz VQHZPULXHRDEIM-NXEZZACHSA-N 1 2 295.343 -1.226 20 0 CAADLO Cc1noc([C@@H](C)[N@H+](C)C[C@@H](O)CN(C)C(=O)C(N)=O)n1 ZINC001284510674 777948961 /nfs/dbraw/zinc/94/89/61/777948961.db2.gz YZLQPQRLJGXHQA-VXNVDRBHSA-N 1 2 299.331 -1.325 20 0 CAADLO Cc1noc([C@@H](C)[N@@H+](C)C[C@@H](O)CN(C)C(=O)C(N)=O)n1 ZINC001284510674 777948964 /nfs/dbraw/zinc/94/89/64/777948964.db2.gz YZLQPQRLJGXHQA-VXNVDRBHSA-N 1 2 299.331 -1.325 20 0 CAADLO Cc1noc([C@@H](C)[N@H+](C)C[C@H](O)CN(C)C(=O)C(N)=O)n1 ZINC001284510660 777949054 /nfs/dbraw/zinc/94/90/54/777949054.db2.gz YZLQPQRLJGXHQA-APPZFPTMSA-N 1 2 299.331 -1.325 20 0 CAADLO Cc1noc([C@@H](C)[N@@H+](C)C[C@H](O)CN(C)C(=O)C(N)=O)n1 ZINC001284510660 777949059 /nfs/dbraw/zinc/94/90/59/777949059.db2.gz YZLQPQRLJGXHQA-APPZFPTMSA-N 1 2 299.331 -1.325 20 0 CAADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCCN(C)C(=O)C(N)=O ZINC001284531596 777949126 /nfs/dbraw/zinc/94/91/26/777949126.db2.gz NWDONTFIRSPBRV-MRVPVSSYSA-N 1 2 281.316 -1.352 20 0 CAADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCCN(C)C(=O)C(N)=O ZINC001284531596 777949132 /nfs/dbraw/zinc/94/91/32/777949132.db2.gz NWDONTFIRSPBRV-MRVPVSSYSA-N 1 2 281.316 -1.352 20 0 CAADLO CNC(=O)CC(=O)N(C)CCNC(=O)CCn1cc[nH+]c1 ZINC001284557513 777950416 /nfs/dbraw/zinc/95/04/16/777950416.db2.gz IIYAFOJOOJDCFV-UHFFFAOYSA-N 1 2 295.343 -1.016 20 0 CAADLO CCN(CCNC(=O)Cc1[nH]cc[nH+]1)C(=O)C(N)=O ZINC001284643657 777952793 /nfs/dbraw/zinc/95/27/93/777952793.db2.gz ZGTIAANVSCBTOH-UHFFFAOYSA-N 1 2 267.289 -1.598 20 0 CAADLO NC(=O)CC(=O)NC[C@@H]1CCCN1C(=O)Cn1cc[nH+]c1 ZINC001284671509 777953804 /nfs/dbraw/zinc/95/38/04/777953804.db2.gz UKEMCTCNSDRPFB-JTQLQIEISA-N 1 2 293.327 -1.134 20 0 CAADLO NC(=O)CC(=O)NCC1CN(C(=O)CCn2cc[nH+]c2)C1 ZINC001284960585 777962917 /nfs/dbraw/zinc/96/29/17/777962917.db2.gz JZZPPXHZMYORKV-UHFFFAOYSA-N 1 2 293.327 -1.277 20 0 CAADLO Cn1c[nH+]cc1CCC(=O)NCC1CN(C(=O)C(N)=O)C1 ZINC001284983824 777964037 /nfs/dbraw/zinc/96/40/37/777964037.db2.gz PVOBAIGXVBOHAI-UHFFFAOYSA-N 1 2 293.327 -1.587 20 0 CAADLO CC[C@H](CNC(=O)C(N)=O)NC(=O)CCc1c[nH+]cn1C ZINC001285092723 777965721 /nfs/dbraw/zinc/96/57/21/777965721.db2.gz JEVXRKFBRRDKMW-SECBINFHSA-N 1 2 295.343 -1.151 20 0 CAADLO C[C@@H](CNC(=O)CCc1c[nH]c[nH+]1)CNC(=O)C(N)=O ZINC001285232024 777969752 /nfs/dbraw/zinc/96/97/52/777969752.db2.gz IELRHHFGWKSZCW-QMMMGPOBSA-N 1 2 281.316 -1.304 20 0 CAADLO C[C@@H](CNC(=O)Cn1cc[nH+]c1)CNC(=O)C(N)=O ZINC001285233939 777969536 /nfs/dbraw/zinc/96/95/36/777969536.db2.gz HRLQMNZYKGRQGD-QMMMGPOBSA-N 1 2 267.289 -1.763 20 0 CAADLO C[C@@H](CNC(=O)CCc1c[nH+]c[nH]1)CNC(=O)C(N)=O ZINC001285232024 777969759 /nfs/dbraw/zinc/96/97/59/777969759.db2.gz IELRHHFGWKSZCW-QMMMGPOBSA-N 1 2 281.316 -1.304 20 0 CAADLO C[C@H](CNC(=O)Cn1cc[nH+]c1)CNC(=O)C(N)=O ZINC001285233937 777969838 /nfs/dbraw/zinc/96/98/38/777969838.db2.gz HRLQMNZYKGRQGD-MRVPVSSYSA-N 1 2 267.289 -1.763 20 0 CAADLO CC(C)[C@H](CNC(=O)C(N)=O)NC(=O)Cc1c[nH+]cn1C ZINC001285342692 777971235 /nfs/dbraw/zinc/97/12/35/777971235.db2.gz RTFGLKZZDOXSKE-JTQLQIEISA-N 1 2 295.343 -1.295 20 0 CAADLO CC(C)[C@@H](CNC(=O)Cc1c[nH+]cn1C)NC(=O)C(N)=O ZINC001285337654 777971595 /nfs/dbraw/zinc/97/15/95/777971595.db2.gz ULIPBRQSEGWLBI-SNVBAGLBSA-N 1 2 295.343 -1.295 20 0 CAADLO Cn1cc[nH+]c1CCC(=O)NC[C@@H](O)CNC(=O)C(N)=O ZINC001285444807 777977609 /nfs/dbraw/zinc/97/76/09/777977609.db2.gz RRJTVEKIWNRCEV-MRVPVSSYSA-N 1 2 297.315 -2.569 20 0 CAADLO C[C@H](CNC(=O)C(N)=O)NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001285662744 777983466 /nfs/dbraw/zinc/98/34/66/777983466.db2.gz CGXWUJQPXNOFBR-RKDXNWHRSA-N 1 2 293.327 -1.448 20 0 CAADLO C[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)NC(=O)CC(N)=O ZINC001285719030 777985366 /nfs/dbraw/zinc/98/53/66/777985366.db2.gz WTDMMHBCXGKWHU-ZETCQYMHSA-N 1 2 267.289 -1.552 20 0 CAADLO C[C@@H](CNC(=O)C(N)=O)NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001285745072 777985534 /nfs/dbraw/zinc/98/55/34/777985534.db2.gz CGXWUJQPXNOFBR-IUCAKERBSA-N 1 2 293.327 -1.448 20 0 CAADLO C[C@@H](CNC(=O)[C@H]1CCn2c[nH+]cc2C1)NC(=O)C(N)=O ZINC001285772342 777986704 /nfs/dbraw/zinc/98/67/04/777986704.db2.gz QRQZKXBSRJLXDC-IUCAKERBSA-N 1 2 293.327 -1.448 20 0 CAADLO C[C@@H](CNC(=O)CCn1cc[nH+]c1)N(C)C(=O)C(N)=O ZINC001285758254 777986756 /nfs/dbraw/zinc/98/67/56/777986756.db2.gz GIMAVAUDYFXWRG-VIFPVBQESA-N 1 2 281.316 -1.278 20 0 CAADLO C[C@@H](CNC(=O)C(N)=O)N(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001285830753 777989215 /nfs/dbraw/zinc/98/92/15/777989215.db2.gz RNIXSJFNWRQEKW-DJLDLDEBSA-N 1 2 293.327 -1.038 20 0 CAADLO C[C@@H](CNC(=O)C(N)=O)N(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001285830753 777989222 /nfs/dbraw/zinc/98/92/22/777989222.db2.gz RNIXSJFNWRQEKW-DJLDLDEBSA-N 1 2 293.327 -1.038 20 0 CAADLO NC(=O)C(=O)NC1(CNC(=O)Cn2cc[nH+]c2)CC1 ZINC001285939752 777994399 /nfs/dbraw/zinc/99/43/99/777994399.db2.gz FDSGJKXWNAHDHP-UHFFFAOYSA-N 1 2 265.273 -1.867 20 0 CAADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(C)C1CN(C(=O)C(N)=O)C1 ZINC001286016497 777995496 /nfs/dbraw/zinc/99/54/96/777995496.db2.gz GUWJQYLCIBDMCJ-MRVPVSSYSA-N 1 2 293.327 -1.257 20 0 CAADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(C)C1CN(C(=O)C(N)=O)C1 ZINC001286016497 777995498 /nfs/dbraw/zinc/99/54/98/777995498.db2.gz GUWJQYLCIBDMCJ-MRVPVSSYSA-N 1 2 293.327 -1.257 20 0 CAADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(C)C1CN(C(=O)C(N)=O)C1 ZINC001286016498 777995983 /nfs/dbraw/zinc/99/59/83/777995983.db2.gz GUWJQYLCIBDMCJ-QMMMGPOBSA-N 1 2 293.327 -1.257 20 0 CAADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N(C)C1CN(C(=O)C(N)=O)C1 ZINC001286016498 777995990 /nfs/dbraw/zinc/99/59/90/777995990.db2.gz GUWJQYLCIBDMCJ-QMMMGPOBSA-N 1 2 293.327 -1.257 20 0 CAADLO C[C@H](NC(=O)C(N)=O)C1CN(C(=O)Cn2cc[nH+]c2)C1 ZINC001286210563 777997987 /nfs/dbraw/zinc/99/79/87/777997987.db2.gz PQKSHIQEAMSLCQ-QMMMGPOBSA-N 1 2 279.300 -1.669 20 0 CAADLO C[C@@H](NC(=O)CC(N)=O)C1CN(C(=O)Cn2cc[nH+]c2)C1 ZINC001286189317 777998106 /nfs/dbraw/zinc/99/81/06/777998106.db2.gz RUTIJKGDMAAARP-SECBINFHSA-N 1 2 293.327 -1.278 20 0 CAADLO C[C@@H](NC(=O)C(N)=O)C1CN(C(=O)Cn2cc[nH+]c2)C1 ZINC001286210562 777998123 /nfs/dbraw/zinc/99/81/23/777998123.db2.gz PQKSHIQEAMSLCQ-MRVPVSSYSA-N 1 2 279.300 -1.669 20 0 CAADLO C[C@@H](NC(=O)Cc1c[nH]c[nH+]1)C1CN(C(=O)CC(N)=O)C1 ZINC001286216149 777999599 /nfs/dbraw/zinc/99/95/99/777999599.db2.gz QAROTAHERCBEKX-MRVPVSSYSA-N 1 2 293.327 -1.209 20 0 CAADLO C[C@H](CCCNC(=O)C(N)=O)NC(=O)Cc1[nH]cc[nH+]1 ZINC001287304472 778001236 /nfs/dbraw/zinc/00/12/36/778001236.db2.gz OFQWXCTUQVMIOY-MRVPVSSYSA-N 1 2 281.316 -1.161 20 0 CAADLO NC(=O)C(=O)NCCOCCCNC(=O)Cc1[nH]cc[nH+]1 ZINC001287490065 778002107 /nfs/dbraw/zinc/00/21/07/778002107.db2.gz SIQRAACMAJZQNT-UHFFFAOYSA-N 1 2 297.315 -1.923 20 0 CAADLO CCC(=O)NC[C@H](CO)NC(=O)Cn1cc[nH+]c1 ZINC001287731273 778006184 /nfs/dbraw/zinc/00/61/84/778006184.db2.gz XTRYDWOZGMHQMX-SECBINFHSA-N 1 2 254.290 -1.114 20 0 CAADLO NC(=O)CC(=O)NC[C@@H](CO)NC(=O)CCn1cc[nH+]c1 ZINC001287754627 778007510 /nfs/dbraw/zinc/00/75/10/778007510.db2.gz KSDQCMFPTWPROI-VIFPVBQESA-N 1 2 297.315 -2.258 20 0 CAADLO NC(=O)CC(=O)NC[C@H](CO)NC(=O)CCn1cc[nH+]c1 ZINC001287754626 778008169 /nfs/dbraw/zinc/00/81/69/778008169.db2.gz KSDQCMFPTWPROI-SECBINFHSA-N 1 2 297.315 -2.258 20 0 CAADLO O=C(Cc1[nH]cc[nH+]1)NC[C@H](CO)NC(=O)C1CC1 ZINC001287830315 778012568 /nfs/dbraw/zinc/01/25/68/778012568.db2.gz NPCCIVRTFQBZLW-SECBINFHSA-N 1 2 266.301 -1.045 20 0 CAADLO Cn1c[nH+]cc1CNC(=O)c1cn(CC(N)=O)nn1 ZINC001288040235 778016390 /nfs/dbraw/zinc/01/63/90/778016390.db2.gz GUCZHWJPCVAJLY-UHFFFAOYSA-N 1 2 263.261 -1.573 20 0 CAADLO COCCN(CCNC(=O)Cc1c[nH]c[nH+]1)C(=O)C(N)=O ZINC001288256580 778020101 /nfs/dbraw/zinc/02/01/01/778020101.db2.gz AIOPAYXYSFFCPR-UHFFFAOYSA-N 1 2 297.315 -1.971 20 0 CAADLO NC(=O)C(=O)NC[C@H]1C[C@@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001290071336 778028272 /nfs/dbraw/zinc/02/82/72/778028272.db2.gz YWZWFMYGPSOZQC-WAAGHKOSSA-N 1 2 293.327 -1.161 20 0 CAADLO NC(=O)C(=O)NC[C@H]1C[C@@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001290071336 778028281 /nfs/dbraw/zinc/02/82/81/778028281.db2.gz YWZWFMYGPSOZQC-WAAGHKOSSA-N 1 2 293.327 -1.161 20 0 CAADLO CC(=O)N[C@@H](C)C(=O)NCCNC(=O)Cc1[nH]cc[nH+]1 ZINC001292473113 778034763 /nfs/dbraw/zinc/03/47/63/778034763.db2.gz UGNRJGSPMGQSIM-QMMMGPOBSA-N 1 2 281.316 -1.291 20 0 CAADLO CS(=O)(=O)CC(=O)NCCNC(=O)Cc1[nH]cc[nH+]1 ZINC001292553515 778039206 /nfs/dbraw/zinc/03/92/06/778039206.db2.gz IQZMNGJXYVASQM-UHFFFAOYSA-N 1 2 288.329 -1.771 20 0 CAADLO CC[N@@H+]1CCO[C@H](C(=O)NCCNC(=O)c2cn[nH]n2)C1 ZINC001292815035 778048248 /nfs/dbraw/zinc/04/82/48/778048248.db2.gz JPLYIKTWQSPLKI-JTQLQIEISA-N 1 2 296.331 -1.629 20 0 CAADLO CC[N@H+]1CCO[C@H](C(=O)NCCNC(=O)c2cn[nH]n2)C1 ZINC001292815035 778048258 /nfs/dbraw/zinc/04/82/58/778048258.db2.gz JPLYIKTWQSPLKI-JTQLQIEISA-N 1 2 296.331 -1.629 20 0 CAADLO CC[N@@H+]1CCO[C@H](C(=O)NCCNC(=O)c2cnn[nH]2)C1 ZINC001292815035 778048267 /nfs/dbraw/zinc/04/82/67/778048267.db2.gz JPLYIKTWQSPLKI-JTQLQIEISA-N 1 2 296.331 -1.629 20 0 CAADLO CC[N@H+]1CCO[C@H](C(=O)NCCNC(=O)c2cnn[nH]2)C1 ZINC001292815035 778048277 /nfs/dbraw/zinc/04/82/77/778048277.db2.gz JPLYIKTWQSPLKI-JTQLQIEISA-N 1 2 296.331 -1.629 20 0 CAADLO Cc1[nH+]c[nH]c1CC(=O)NCCNC(=O)[C@H]1CNC(=O)N1 ZINC001293027642 778052033 /nfs/dbraw/zinc/05/20/33/778052033.db2.gz JFVDCRWAQJWKEL-SECBINFHSA-N 1 2 294.315 -1.826 20 0 CAADLO O=C(Cn1cc[nH+]c1)NCCCNC(=O)[C@@H]1CCC(=O)N1 ZINC001293422164 778058524 /nfs/dbraw/zinc/05/85/24/778058524.db2.gz ARUAGOWFBVEASV-JTQLQIEISA-N 1 2 293.327 -1.216 20 0 CAADLO NC(=O)CC(=O)N1CC[C@@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001293551634 778059557 /nfs/dbraw/zinc/05/95/57/778059557.db2.gz QDGKRAIHAMUSST-SNVBAGLBSA-N 1 2 293.327 -1.134 20 0 CAADLO Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H](NC(=O)CC(N)=O)C1 ZINC001295054961 778071339 /nfs/dbraw/zinc/07/13/39/778071339.db2.gz LUIXLGQAGMJRNU-VIFPVBQESA-N 1 2 293.327 -1.147 20 0 CAADLO NC(=O)C(=O)N1CCC[C@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001295255956 778074170 /nfs/dbraw/zinc/07/41/70/778074170.db2.gz JMASLZPZEZFKJU-SNVBAGLBSA-N 1 2 293.327 -1.277 20 0 CAADLO NC(=O)CC(=O)N[C@H]1C[C@@H](NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001295185993 778074473 /nfs/dbraw/zinc/07/44/73/778074473.db2.gz FQLMHHJLRBGHPO-DTORHVGOSA-N 1 2 293.327 -1.019 20 0 CAADLO C[C@H](CNC(=O)CC(N)=O)NC(=O)CCc1[nH]cc[nH+]1 ZINC001295448845 778078856 /nfs/dbraw/zinc/07/88/56/778078856.db2.gz LUNVIZJKALOQQO-MRVPVSSYSA-N 1 2 281.316 -1.161 20 0 CAADLO C[C@H](CNC(=O)Cc1[nH]cc[nH+]1)NC(=O)[C@H]1CCNC1=O ZINC001295623308 778083362 /nfs/dbraw/zinc/08/33/62/778083362.db2.gz OIWZMSOUDYPXAV-BDAKNGLRSA-N 1 2 293.327 -1.291 20 0 CAADLO C[C@@H](CNC(=O)C(N)=O)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001295634721 778084725 /nfs/dbraw/zinc/08/47/25/778084725.db2.gz SZUJLUXVZPQVSC-DTWKUNHWSA-N 1 2 293.327 -1.448 20 0 CAADLO CN(CCNC(=O)Cc1c[nH]c[nH+]1)C(=O)[C@@H]1CCNC1=O ZINC001296254066 778093621 /nfs/dbraw/zinc/09/36/21/778093621.db2.gz XCWIWVVZQUKYBK-SNVBAGLBSA-N 1 2 293.327 -1.337 20 0 CAADLO CCN(CCNC(=O)C(N)=O)C(=O)Cn1cc[nH+]c1 ZINC001296365302 778095442 /nfs/dbraw/zinc/09/54/42/778095442.db2.gz WXSWJZCPXGWIDC-UHFFFAOYSA-N 1 2 267.289 -1.667 20 0 CAADLO C[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@@H]2CNC(=O)C(N)=O)C1 ZINC001296462765 778096489 /nfs/dbraw/zinc/09/64/89/778096489.db2.gz CBJPDSWCNWBRFO-NXEZZACHSA-N 1 2 298.343 -2.091 20 0 CAADLO C[N@H+]1CCO[C@@H](C(=O)N2CCC[C@@H]2CNC(=O)C(N)=O)C1 ZINC001296462765 778096499 /nfs/dbraw/zinc/09/64/99/778096499.db2.gz CBJPDSWCNWBRFO-NXEZZACHSA-N 1 2 298.343 -2.091 20 0 CAADLO C[N@@H+]1CCO[C@H](C(=O)N2CCC[C@@H]2CNC(=O)C(N)=O)C1 ZINC001296462773 778096570 /nfs/dbraw/zinc/09/65/70/778096570.db2.gz CBJPDSWCNWBRFO-ZJUUUORDSA-N 1 2 298.343 -2.091 20 0 CAADLO C[N@H+]1CCO[C@H](C(=O)N2CCC[C@@H]2CNC(=O)C(N)=O)C1 ZINC001296462773 778096580 /nfs/dbraw/zinc/09/65/80/778096580.db2.gz CBJPDSWCNWBRFO-ZJUUUORDSA-N 1 2 298.343 -2.091 20 0 CAADLO NC(=O)CC(=O)N1CCC[C@H]1CNC(=O)Cc1c[nH]c[nH+]1 ZINC001296475153 778098657 /nfs/dbraw/zinc/09/86/57/778098657.db2.gz YWJKRCOYCKRSOL-JTQLQIEISA-N 1 2 293.327 -1.065 20 0 CAADLO CNC(=O)CC(=O)N1CC(NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001297078099 778104560 /nfs/dbraw/zinc/10/45/60/778104560.db2.gz GTDDUFPWMVFHNG-UHFFFAOYSA-N 1 2 293.327 -1.195 20 0 CAADLO CNC(=O)CC(=O)N1CC(NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001297078099 778104563 /nfs/dbraw/zinc/10/45/63/778104563.db2.gz GTDDUFPWMVFHNG-UHFFFAOYSA-N 1 2 293.327 -1.195 20 0 CAADLO NC(=O)C(=O)N1CC(CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001297256259 778107042 /nfs/dbraw/zinc/10/70/42/778107042.db2.gz UKKXPRPZGAQGLM-UHFFFAOYSA-N 1 2 265.273 -1.988 20 0 CAADLO CC[C@@H](CNC(=O)CCc1[nH+]ccn1C)NC(=O)C(N)=O ZINC001297467856 778109553 /nfs/dbraw/zinc/10/95/53/778109553.db2.gz WVTSFUXQRAVAPP-VIFPVBQESA-N 1 2 295.343 -1.151 20 0 CAADLO NC(=O)CC(=O)N1CCC[C@@H]1CNC(=O)Cc1[nH]cc[nH+]1 ZINC001297658208 778111559 /nfs/dbraw/zinc/11/15/59/778111559.db2.gz MOJTTZGMIOQTIM-SECBINFHSA-N 1 2 293.327 -1.065 20 0 CAADLO CN(C)S(=O)(=O)NCCNC(=O)CCc1c[nH]c[nH+]1 ZINC001297577398 778112087 /nfs/dbraw/zinc/11/20/87/778112087.db2.gz VSSQNIKZZJAGTQ-UHFFFAOYSA-N 1 2 289.361 -1.146 20 0 CAADLO CN(C)S(=O)(=O)NCCNC(=O)CCc1c[nH+]c[nH]1 ZINC001297577398 778112090 /nfs/dbraw/zinc/11/20/90/778112090.db2.gz VSSQNIKZZJAGTQ-UHFFFAOYSA-N 1 2 289.361 -1.146 20 0 CAADLO CN(CCN(C)C(=O)Cc1[nH]cc[nH+]1)C(=O)CC(N)=O ZINC001298052352 778114422 /nfs/dbraw/zinc/11/44/22/778114422.db2.gz OIWBDYAQEUMZFR-UHFFFAOYSA-N 1 2 281.316 -1.256 20 0 CAADLO NC(=O)C(=O)NC[C@H](O)CNC(=O)CCCn1cc[nH+]c1 ZINC001298195364 778118253 /nfs/dbraw/zinc/11/82/53/778118253.db2.gz YAYAPILYERLTJX-SECBINFHSA-N 1 2 297.315 -2.258 20 0 CAADLO O=C(C[C@@H]1NC(=O)NC1=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC001298231538 778119110 /nfs/dbraw/zinc/11/91/10/778119110.db2.gz KUXPVUQNABAQOA-XPUUQOCRSA-N 1 2 263.257 -1.478 20 0 CAADLO NC(=O)[C@@H]1CC[C@H](C(=O)N[C@@H]2Cc3c[nH+]cn3C2)O1 ZINC001298229384 778119175 /nfs/dbraw/zinc/11/91/75/778119175.db2.gz BIGUSWRNVXIHPS-FKTZTGRPSA-N 1 2 264.285 -1.043 20 0 CAADLO O=C(C[C@@H]1NC(=O)NC1=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC001298231537 778119200 /nfs/dbraw/zinc/11/92/00/778119200.db2.gz KUXPVUQNABAQOA-SVRRBLITSA-N 1 2 263.257 -1.478 20 0 CAADLO C[C@H](CNC(=O)C(N)=O)NC(=O)CCc1[nH+]ccn1C ZINC001298673116 778124006 /nfs/dbraw/zinc/12/40/06/778124006.db2.gz WICBHFPMVHLELU-MRVPVSSYSA-N 1 2 281.316 -1.541 20 0 CAADLO Cn1c[nH+]cc1CC(=O)NC[C@H]1CCN1C(=O)C(N)=O ZINC001299065921 778128867 /nfs/dbraw/zinc/12/88/67/778128867.db2.gz KLWXOMJINODWNG-MRVPVSSYSA-N 1 2 279.300 -1.835 20 0 CAADLO Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]1CCN1C(=O)CC(N)=O ZINC001299071004 778129285 /nfs/dbraw/zinc/12/92/85/778129285.db2.gz KOVCKXMVTDICFP-VIFPVBQESA-N 1 2 293.327 -1.147 20 0 CAADLO NC(=O)CC(=O)NCC1(NC(=O)Cn2cc[nH+]c2)CC1 ZINC001299136300 778129575 /nfs/dbraw/zinc/12/95/75/778129575.db2.gz LGRBFFGIJNWZEV-UHFFFAOYSA-N 1 2 279.300 -1.477 20 0 CAADLO C[N@@H+]1CCO[C@@H](C(=O)N2[C@H](CO)CC[C@H]2CO)C1 ZINC001299977523 778130260 /nfs/dbraw/zinc/13/02/60/778130260.db2.gz WNBJMMLEADBLMN-GARJFASQSA-N 1 2 258.318 -1.339 20 0 CAADLO C[N@H+]1CCO[C@@H](C(=O)N2[C@H](CO)CC[C@H]2CO)C1 ZINC001299977523 778130265 /nfs/dbraw/zinc/13/02/65/778130265.db2.gz WNBJMMLEADBLMN-GARJFASQSA-N 1 2 258.318 -1.339 20 0 CAADLO Nc1nnn(CC(=O)N[C@H]2CCc3c[nH+]cn3C2)n1 ZINC001299826335 778130845 /nfs/dbraw/zinc/13/08/45/778130845.db2.gz SIOAGROSCREBMK-ZETCQYMHSA-N 1 2 262.277 -1.417 20 0 CAADLO C[N@@H+]1CCO[C@H](C(=O)NCc2nc(CO)n[nH]2)C1 ZINC001301192665 778133372 /nfs/dbraw/zinc/13/33/72/778133372.db2.gz XXYKXAYGNWULEX-ZETCQYMHSA-N 1 2 255.278 -1.756 20 0 CAADLO C[N@H+]1CCO[C@H](C(=O)NCc2nc(CO)n[nH]2)C1 ZINC001301192665 778133375 /nfs/dbraw/zinc/13/33/75/778133375.db2.gz XXYKXAYGNWULEX-ZETCQYMHSA-N 1 2 255.278 -1.756 20 0 CAADLO Cn1c[nH+]cc1CNC(=O)C1(S(N)(=O)=O)CC1 ZINC001302663950 778137202 /nfs/dbraw/zinc/13/72/02/778137202.db2.gz AORQNVPYARCHQL-UHFFFAOYSA-N 1 2 258.303 -1.143 20 0 CAADLO O=C(C[C@@H]1CC(=O)N1)N[C@H](CO)Cc1c[nH]c[nH+]1 ZINC001302760292 778138302 /nfs/dbraw/zinc/13/83/02/778138302.db2.gz HVMZTNYCGQWXHT-CBAPKCEASA-N 1 2 252.274 -1.292 20 0 CAADLO O=C(C[C@@H]1CC(=O)N1)N[C@H](CO)Cc1c[nH+]c[nH]1 ZINC001302760292 778138305 /nfs/dbraw/zinc/13/83/05/778138305.db2.gz HVMZTNYCGQWXHT-CBAPKCEASA-N 1 2 252.274 -1.292 20 0 CAADLO O=C(N[C@H](CO)Cc1c[nH]c[nH+]1)[C@H]1COC(=O)N1 ZINC001302760674 778138290 /nfs/dbraw/zinc/13/82/90/778138290.db2.gz MGNLEFKODYGOJJ-JGVFFNPUSA-N 1 2 254.246 -1.462 20 0 CAADLO O=C(N[C@H](CO)Cc1c[nH+]c[nH]1)[C@H]1COC(=O)N1 ZINC001302760674 778138292 /nfs/dbraw/zinc/13/82/92/778138292.db2.gz MGNLEFKODYGOJJ-JGVFFNPUSA-N 1 2 254.246 -1.462 20 0 CAADLO C[C@@H](C(=O)N[C@H](CO)Cc1c[nH]c[nH+]1)N1C(=O)CCC1=O ZINC001302759705 778138446 /nfs/dbraw/zinc/13/84/46/778138446.db2.gz YJVAAPZFLGZMTO-WPRPVWTQSA-N 1 2 294.311 -1.033 20 0 CAADLO C[C@@H](C(=O)N[C@H](CO)Cc1c[nH+]c[nH]1)N1C(=O)CCC1=O ZINC001302759705 778138448 /nfs/dbraw/zinc/13/84/48/778138448.db2.gz YJVAAPZFLGZMTO-WPRPVWTQSA-N 1 2 294.311 -1.033 20 0 CAADLO CC(=O)N1CC(C(=O)N[C@H](CO)Cc2c[nH]c[nH+]2)C1 ZINC001302759768 778138489 /nfs/dbraw/zinc/13/84/89/778138489.db2.gz ZUSNHZUNRXORMM-NSHDSACASA-N 1 2 266.301 -1.092 20 0 CAADLO CC(=O)N1CC(C(=O)N[C@H](CO)Cc2c[nH+]c[nH]2)C1 ZINC001302759768 778138493 /nfs/dbraw/zinc/13/84/93/778138493.db2.gz ZUSNHZUNRXORMM-NSHDSACASA-N 1 2 266.301 -1.092 20 0 CAADLO C[C@H](C(=O)N[C@H](CO)Cc1c[nH]c[nH+]1)N1C(=O)CCC1=O ZINC001302759703 778138698 /nfs/dbraw/zinc/13/86/98/778138698.db2.gz YJVAAPZFLGZMTO-SCZZXKLOSA-N 1 2 294.311 -1.033 20 0 CAADLO C[C@H](C(=O)N[C@H](CO)Cc1c[nH+]c[nH]1)N1C(=O)CCC1=O ZINC001302759703 778138703 /nfs/dbraw/zinc/13/87/03/778138703.db2.gz YJVAAPZFLGZMTO-SCZZXKLOSA-N 1 2 294.311 -1.033 20 0 CAADLO O=C(Cn1cc[nH+]c1)NCCn1ccc(=O)[nH]c1=O ZINC001303574715 778140551 /nfs/dbraw/zinc/14/05/51/778140551.db2.gz JEHJHACAALEWDH-UHFFFAOYSA-N 1 2 263.257 -1.038 20 0 CAADLO O=C(Cn1cc[nH+]c1)NCc1nnc2c(=O)[nH]ccn12 ZINC001303749858 778140641 /nfs/dbraw/zinc/14/06/41/778140641.db2.gz OVUCRQUWRYKEAT-UHFFFAOYSA-N 1 2 273.256 -1.070 20 0 CAADLO O=C(Cc1[nH]cc[nH+]1)N1CC2(C1)C[C@H](O)CNC2=O ZINC001303533703 778141254 /nfs/dbraw/zinc/14/12/54/778141254.db2.gz PYFJSZGFVHTDFR-QMMMGPOBSA-N 1 2 264.285 -1.338 20 0 CAADLO CNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2CCCN2C=O)CC1 ZINC001303885215 778142129 /nfs/dbraw/zinc/14/21/29/778142129.db2.gz LJRVRXYNSAXIKD-LBPRGKRZSA-N 1 2 296.371 -1.113 20 0 CAADLO CNC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2CCCN2C=O)CC1 ZINC001303885215 778142133 /nfs/dbraw/zinc/14/21/33/778142133.db2.gz LJRVRXYNSAXIKD-LBPRGKRZSA-N 1 2 296.371 -1.113 20 0 CAADLO C=CC(=O)N(C)CC(=O)N1CCC[N@@H+](CC(=O)NC)CC1 ZINC001303886063 778142198 /nfs/dbraw/zinc/14/21/98/778142198.db2.gz XZKTWDQFZJGWKK-UHFFFAOYSA-N 1 2 296.371 -1.089 20 0 CAADLO C=CC(=O)N(C)CC(=O)N1CCC[N@H+](CC(=O)NC)CC1 ZINC001303886063 778142201 /nfs/dbraw/zinc/14/22/01/778142201.db2.gz XZKTWDQFZJGWKK-UHFFFAOYSA-N 1 2 296.371 -1.089 20 0 CAADLO CNC(=O)C[N@@H+]1CCCN(C(=O)C2(C(N)=O)CCC2)CC1 ZINC001303885231 778142370 /nfs/dbraw/zinc/14/23/70/778142370.db2.gz LVAYNVWKPRALTB-UHFFFAOYSA-N 1 2 296.371 -1.078 20 0 CAADLO CNC(=O)C[N@H+]1CCCN(C(=O)C2(C(N)=O)CCC2)CC1 ZINC001303885231 778142372 /nfs/dbraw/zinc/14/23/72/778142372.db2.gz LVAYNVWKPRALTB-UHFFFAOYSA-N 1 2 296.371 -1.078 20 0 CAADLO Cn1c[nH+]cc1CC(=O)N1CC2(C1)NC(=O)NC2=O ZINC001305462439 778146055 /nfs/dbraw/zinc/14/60/55/778146055.db2.gz XVSBEEMNVYMRKN-UHFFFAOYSA-N 1 2 263.257 -1.617 20 0 CAADLO C[C@@H](NC(=O)CO[NH+]=C(N)CCO)C(=O)N(C)C ZINC001116704144 779508666 /nfs/dbraw/zinc/50/86/66/779508666.db2.gz MHDYKCRJMDMGHZ-SSDOTTSWSA-N 1 2 260.294 -1.540 20 0 CAADLO C[C@H](NC(=O)CO[NH+]=C(N)CCO)C(=O)N(C)C ZINC001116704145 779509131 /nfs/dbraw/zinc/50/91/31/779509131.db2.gz MHDYKCRJMDMGHZ-ZETCQYMHSA-N 1 2 260.294 -1.540 20 0 CAADLO COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)CNC(C)=O ZINC001116759639 779512172 /nfs/dbraw/zinc/51/21/72/779512172.db2.gz IVOYNXLJWJFOPK-VIFPVBQESA-N 1 2 268.273 -1.323 20 0 CAADLO COC(=O)[C@@H](Cn1cc[nH+]c1)NC(=O)CNC(C)=O ZINC001116759638 779512358 /nfs/dbraw/zinc/51/23/58/779512358.db2.gz IVOYNXLJWJFOPK-SECBINFHSA-N 1 2 268.273 -1.323 20 0 CAADLO Cn1nnc(CNC(=O)NCCn2cc[nH+]c2)n1 ZINC001116819759 779513558 /nfs/dbraw/zinc/51/35/58/779513558.db2.gz JDRRVGMMBVLOPS-UHFFFAOYSA-N 1 2 250.266 -1.094 20 0 CAADLO Cn1nncc1C[N@@H+]1CCC[C@]2(C1)NC(=O)NC2=O ZINC001116845661 779514999 /nfs/dbraw/zinc/51/49/99/779514999.db2.gz UFYMZRARLHWTNQ-LLVKDONJSA-N 1 2 264.289 -1.011 20 0 CAADLO Cn1nncc1C[N@H+]1CCC[C@]2(C1)NC(=O)NC2=O ZINC001116845661 779515003 /nfs/dbraw/zinc/51/50/03/779515003.db2.gz UFYMZRARLHWTNQ-LLVKDONJSA-N 1 2 264.289 -1.011 20 0 CAADLO COCCNC(=O)CNC(=O)[C@@H](c1c[nH+]cn1C)N(C)C ZINC001116910141 779516992 /nfs/dbraw/zinc/51/69/92/779516992.db2.gz XMTVTQVSGZPMJZ-GFCCVEGCSA-N 1 2 297.359 -1.098 20 0 CAADLO C[C@H](O)C[NH+]1CCN(C(=O)c2cnnn2C)CC1 ZINC001116915853 779518864 /nfs/dbraw/zinc/51/88/64/779518864.db2.gz MPBJYKLDCQGZSI-VIFPVBQESA-N 1 2 253.306 -1.046 20 0 CAADLO O=C(NCCn1cc[nH+]c1)C(=O)NC[C@@H]1COCCO1 ZINC001116974000 779521451 /nfs/dbraw/zinc/52/14/51/779521451.db2.gz MINISTKGTVOIEV-SNVBAGLBSA-N 1 2 282.300 -1.469 20 0 CAADLO O=C(NCCNC(=O)C1CC1)C(=O)NCCn1cc[nH+]c1 ZINC001116991057 779521497 /nfs/dbraw/zinc/52/14/97/779521497.db2.gz UFFNOTMMQCRKPT-UHFFFAOYSA-N 1 2 293.327 -1.358 20 0 CAADLO NC(=O)N[C@H]1CCN(C(=O)C(=O)NCCn2cc[nH+]c2)C1 ZINC001116994475 779522632 /nfs/dbraw/zinc/52/26/32/779522632.db2.gz IEYUEKPLVKPYAQ-VIFPVBQESA-N 1 2 294.315 -1.732 20 0 CAADLO CC[NH+]1CCN(C(=O)C(=O)NCCNC(=O)C2CC2)CC1 ZINC001117160300 779525796 /nfs/dbraw/zinc/52/57/96/779525796.db2.gz JCSSTSIQGKWQGL-UHFFFAOYSA-N 1 2 296.371 -1.207 20 0 CAADLO CC[NH+]1CCN(C(=O)C(=O)NCCn2cncn2)CC1 ZINC001117303177 779529420 /nfs/dbraw/zinc/52/94/20/779529420.db2.gz KPJREGDEPUISPC-UHFFFAOYSA-N 1 2 280.332 -1.442 20 0 CAADLO COC(=O)[C@@](C)(O)C[NH+]1CCN(C[C@H](C)O)CC1 ZINC001117547000 779537398 /nfs/dbraw/zinc/53/73/98/779537398.db2.gz FFOOPPGEHZWTSI-JQWIXIFHSA-N 1 2 260.334 -1.091 20 0 CAADLO O=C(N[C@H]1CCn2cc[nH+]c2C1)C(=O)N1CCNC(=O)C1 ZINC001117599078 779537553 /nfs/dbraw/zinc/53/75/53/779537553.db2.gz LYZIXDIZGCGXPP-VIFPVBQESA-N 1 2 291.311 -1.728 20 0 CAADLO COC(=O)[C@](C)(O)C[NH+]1CCN(C[C@H](C)O)CC1 ZINC001117546999 779538072 /nfs/dbraw/zinc/53/80/72/779538072.db2.gz FFOOPPGEHZWTSI-CMPLNLGQSA-N 1 2 260.334 -1.091 20 0 CAADLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)C(=O)N1CCNC(=O)C1 ZINC001117599073 779538188 /nfs/dbraw/zinc/53/81/88/779538188.db2.gz LYZIXDIZGCGXPP-SECBINFHSA-N 1 2 291.311 -1.728 20 0 CAADLO COC[C@@H](C(N)=O)[N@H+](C)CCN1C(=O)CNC1=O ZINC001117706856 779541843 /nfs/dbraw/zinc/54/18/43/779541843.db2.gz RLKUVUHPSJUSCI-ZETCQYMHSA-N 1 2 258.278 -2.030 20 0 CAADLO COC[C@@H](C(N)=O)[N@@H+](C)CCN1C(=O)CNC1=O ZINC001117706856 779541845 /nfs/dbraw/zinc/54/18/45/779541845.db2.gz RLKUVUHPSJUSCI-ZETCQYMHSA-N 1 2 258.278 -2.030 20 0 CAADLO CN1C[C@H](C[NH+]2CCN(CC(N)=O)CC2)OC1=O ZINC001117705586 779542003 /nfs/dbraw/zinc/54/20/03/779542003.db2.gz XGHJCGUANKRJRT-SECBINFHSA-N 1 2 256.306 -1.460 20 0 CAADLO C[C@@H]([NH3+])CNC(=O)Cn1[nH]cc2c(=O)ncnc1-2 ZINC001118264723 779558190 /nfs/dbraw/zinc/55/81/90/779558190.db2.gz MCCQBGKUHAYCGF-ZCFIWIBFSA-N 1 2 250.262 -1.465 20 0 CAADLO CC[C@@H](C(N)=O)[NH+]1CCC(NS(N)(=O)=O)CC1 ZINC001118846410 779589863 /nfs/dbraw/zinc/58/98/63/779589863.db2.gz IZXRBBFZXGUJNC-QMMMGPOBSA-N 1 2 264.351 -1.492 20 0 CAADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCC(=O)NCCO ZINC001118313985 779563559 /nfs/dbraw/zinc/56/35/59/779563559.db2.gz YTYYVSRNGZFLEL-QMMMGPOBSA-N 1 2 254.290 -1.187 20 0 CAADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCC(=O)NCCO ZINC001118313985 779563562 /nfs/dbraw/zinc/56/35/62/779563562.db2.gz YTYYVSRNGZFLEL-QMMMGPOBSA-N 1 2 254.290 -1.187 20 0 CAADLO Cc1nn(CC(=O)NCCc2[nH]cc[nH+]2)c(=O)n1C ZINC001118316862 779563642 /nfs/dbraw/zinc/56/36/42/779563642.db2.gz CYQFKFOQUCSDMX-UHFFFAOYSA-N 1 2 264.289 -1.028 20 0 CAADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCC(=O)NCCO ZINC001118313984 779563706 /nfs/dbraw/zinc/56/37/06/779563706.db2.gz YTYYVSRNGZFLEL-MRVPVSSYSA-N 1 2 254.290 -1.187 20 0 CAADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCC(=O)NCCO ZINC001118313984 779563712 /nfs/dbraw/zinc/56/37/12/779563712.db2.gz YTYYVSRNGZFLEL-MRVPVSSYSA-N 1 2 254.290 -1.187 20 0 CAADLO COC(=O)CNC(=O)CNC(=O)Cn1cc[nH+]c1 ZINC001118378363 779567019 /nfs/dbraw/zinc/56/70/19/779567019.db2.gz FFDAMILGTUJHOT-UHFFFAOYSA-N 1 2 254.246 -1.712 20 0 CAADLO CCOC(=O)Cn1cc(C[C@H]([NH3+])C(=O)OC)nn1 ZINC001118411012 779568829 /nfs/dbraw/zinc/56/88/29/779568829.db2.gz BRIFFBMPPZSIQN-QMMMGPOBSA-N 1 2 256.262 -1.116 20 0 CAADLO O=C(C[N@@H+]1C[C@@H]2C(=O)NC(=O)[C@@H]2C1)Nc1cnccn1 ZINC001118501085 779572293 /nfs/dbraw/zinc/57/22/93/779572293.db2.gz RDJOWPXSJRHJIG-OCAPTIKFSA-N 1 2 275.268 -1.381 20 0 CAADLO O=C(C[N@H+]1C[C@@H]2C(=O)NC(=O)[C@@H]2C1)Nc1cnccn1 ZINC001118501085 779572299 /nfs/dbraw/zinc/57/22/99/779572299.db2.gz RDJOWPXSJRHJIG-OCAPTIKFSA-N 1 2 275.268 -1.381 20 0 CAADLO CC(=O)NCC(=O)NC[C@@H]1C[N@H+](CC(N)=O)CCCO1 ZINC001149081953 779579698 /nfs/dbraw/zinc/57/96/98/779579698.db2.gz HEUIOYURKCFRCY-SNVBAGLBSA-N 1 2 286.332 -2.185 20 0 CAADLO CC(=O)NCC(=O)NC[C@@H]1C[N@@H+](CC(N)=O)CCCO1 ZINC001149081953 779579704 /nfs/dbraw/zinc/57/97/04/779579704.db2.gz HEUIOYURKCFRCY-SNVBAGLBSA-N 1 2 286.332 -2.185 20 0 CAADLO CC[C@H](C(N)=O)[NH+]1CCC(NS(N)(=O)=O)CC1 ZINC001118846409 779589741 /nfs/dbraw/zinc/58/97/41/779589741.db2.gz IZXRBBFZXGUJNC-MRVPVSSYSA-N 1 2 264.351 -1.492 20 0 CAADLO NC(=O)[C@]1(NC(=O)/C=C/C[NH+]2CCOCC2)CCOC1 ZINC001119040240 779603102 /nfs/dbraw/zinc/60/31/02/779603102.db2.gz DOBXFULYTHFLHW-AORQRIRUSA-N 1 2 283.328 -1.365 20 0 CAADLO Cn1c[nH+]cc1CNC(=O)NCc1nnn(C)n1 ZINC001119013770 779603123 /nfs/dbraw/zinc/60/31/23/779603123.db2.gz KYYSPKARYRCZHG-UHFFFAOYSA-N 1 2 250.266 -1.057 20 0 CAADLO NC(=O)[C@]1(NC(=O)/C=C\C[NH+]2CCOCC2)CCOC1 ZINC001119040244 779603480 /nfs/dbraw/zinc/60/34/80/779603480.db2.gz DOBXFULYTHFLHW-FYDYADQUSA-N 1 2 283.328 -1.365 20 0 CAADLO CNC(=O)CN(CC(=O)NC)C(=O)Cn1cc[nH+]c1 ZINC001119057672 779604127 /nfs/dbraw/zinc/60/41/27/779604127.db2.gz RZKOONSUUHISMZ-UHFFFAOYSA-N 1 2 267.289 -1.796 20 0 CAADLO CNC(=O)CN(CC(=O)NC)Cc1c[nH+]cn1C ZINC001119248351 779609054 /nfs/dbraw/zinc/60/90/54/779609054.db2.gz IQMDKPXGOULSBU-UHFFFAOYSA-N 1 2 253.306 -1.286 20 0 CAADLO CO[C@@H]1COC[C@H]1[NH2+]Cc1nnc2c(=O)[nH]ccn12 ZINC001119313658 779611405 /nfs/dbraw/zinc/61/14/05/779611405.db2.gz VUHGUPYSQJSCGM-HTQZYQBOSA-N 1 2 265.273 -1.079 20 0 CAADLO C[N@H+](CCO)Cc1cn(CC(=O)N2CCC2)nn1 ZINC001119333211 779612320 /nfs/dbraw/zinc/61/23/20/779612320.db2.gz QALVFWUDLUOUNE-UHFFFAOYSA-N 1 2 253.306 -1.066 20 0 CAADLO C[N@@H+](CCO)Cc1cn(CC(=O)N2CCC2)nn1 ZINC001119333211 779612325 /nfs/dbraw/zinc/61/23/25/779612325.db2.gz QALVFWUDLUOUNE-UHFFFAOYSA-N 1 2 253.306 -1.066 20 0 CAADLO C/C(=C/C(=O)N1C[C@H](O)C[C@H]1C(N)=O)C[NH+]1CCOCC1 ZINC001119594650 779618943 /nfs/dbraw/zinc/61/89/43/779618943.db2.gz BLERQZFYACHIHG-LIPIYFLUSA-N 1 2 297.355 -1.288 20 0 CAADLO C[C@@H]1COCC[N@@H+]1CCN1C(=O)N[C@@H](CO)C1=O ZINC001119630986 779620558 /nfs/dbraw/zinc/62/05/58/779620558.db2.gz LSBZFMGRIHJYFI-BDAKNGLRSA-N 1 2 257.290 -1.380 20 0 CAADLO C[C@@H]1COCC[N@H+]1CCN1C(=O)N[C@@H](CO)C1=O ZINC001119630986 779620566 /nfs/dbraw/zinc/62/05/66/779620566.db2.gz LSBZFMGRIHJYFI-BDAKNGLRSA-N 1 2 257.290 -1.380 20 0 CAADLO C[C@H]1COCC[N@@H+]1CCN1C(=O)N[C@@H](CO)C1=O ZINC001119630992 779621034 /nfs/dbraw/zinc/62/10/34/779621034.db2.gz LSBZFMGRIHJYFI-IUCAKERBSA-N 1 2 257.290 -1.380 20 0 CAADLO C[C@H]1COCC[N@H+]1CCN1C(=O)N[C@@H](CO)C1=O ZINC001119630992 779621036 /nfs/dbraw/zinc/62/10/36/779621036.db2.gz LSBZFMGRIHJYFI-IUCAKERBSA-N 1 2 257.290 -1.380 20 0 CAADLO C[C@H]1COCC[N@@H+]1CCN1C(=O)N[C@H](CO)C1=O ZINC001119630990 779621243 /nfs/dbraw/zinc/62/12/43/779621243.db2.gz LSBZFMGRIHJYFI-DTWKUNHWSA-N 1 2 257.290 -1.380 20 0 CAADLO C[C@H]1COCC[N@H+]1CCN1C(=O)N[C@H](CO)C1=O ZINC001119630990 779621249 /nfs/dbraw/zinc/62/12/49/779621249.db2.gz LSBZFMGRIHJYFI-DTWKUNHWSA-N 1 2 257.290 -1.380 20 0 CAADLO CS(=O)(=O)N1CC(C[N@@H+]2CCCNC(=O)C2)C1 ZINC001119718865 779624799 /nfs/dbraw/zinc/62/47/99/779624799.db2.gz ZABYVIOHBSPUOE-UHFFFAOYSA-N 1 2 261.347 -1.300 20 0 CAADLO CS(=O)(=O)N1CC(C[N@H+]2CCCNC(=O)C2)C1 ZINC001119718865 779624803 /nfs/dbraw/zinc/62/48/03/779624803.db2.gz ZABYVIOHBSPUOE-UHFFFAOYSA-N 1 2 261.347 -1.300 20 0 CAADLO CC(C)[N@H+](C)CC(=O)NC[C@@H](O)CS(C)(=O)=O ZINC001119902712 779628297 /nfs/dbraw/zinc/62/82/97/779628297.db2.gz VEURRBJHCXNZKA-SECBINFHSA-N 1 2 266.363 -1.152 20 0 CAADLO CC(C)[N@@H+](C)CC(=O)NC[C@@H](O)CS(C)(=O)=O ZINC001119902712 779628303 /nfs/dbraw/zinc/62/83/03/779628303.db2.gz VEURRBJHCXNZKA-SECBINFHSA-N 1 2 266.363 -1.152 20 0 CAADLO CO[C@@]1(C[NH+]2CC3(C2)NC(=O)NC3=O)CCOC1 ZINC001119982860 779631335 /nfs/dbraw/zinc/63/13/35/779631335.db2.gz MVVCSUMBKHEDOQ-SNVBAGLBSA-N 1 2 255.274 -1.314 20 0 CAADLO O=C(N[C@@H]1CNOC1)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC001120420998 779636583 /nfs/dbraw/zinc/63/65/83/779636583.db2.gz QTGDPNJQMORXQM-RKDXNWHRSA-N 1 2 279.300 -1.666 20 0 CAADLO CC[N@@H+]1CC[C@H]1CNC(=O)C(=O)N1C[C@@H]2C[C@H]1C[S@@]2=O ZINC001120473700 779638264 /nfs/dbraw/zinc/63/82/64/779638264.db2.gz SCVGXMKDXJRFQG-XKQOKNHGSA-N 1 2 299.396 -1.071 20 0 CAADLO CC[N@H+]1CC[C@H]1CNC(=O)C(=O)N1C[C@@H]2C[C@H]1C[S@@]2=O ZINC001120473700 779638270 /nfs/dbraw/zinc/63/82/70/779638270.db2.gz SCVGXMKDXJRFQG-XKQOKNHGSA-N 1 2 299.396 -1.071 20 0 CAADLO CC[N@@H+]1CC[C@@H]1CNC(=O)C(=O)N1C[C@@H]2C[C@H]1C[S@@]2=O ZINC001120473698 779638563 /nfs/dbraw/zinc/63/85/63/779638563.db2.gz SCVGXMKDXJRFQG-GGRBLDGOSA-N 1 2 299.396 -1.071 20 0 CAADLO CC[N@H+]1CC[C@@H]1CNC(=O)C(=O)N1C[C@@H]2C[C@H]1C[S@@]2=O ZINC001120473698 779638569 /nfs/dbraw/zinc/63/85/69/779638569.db2.gz SCVGXMKDXJRFQG-GGRBLDGOSA-N 1 2 299.396 -1.071 20 0 CAADLO Cc1nc(N(C)C)nc(N[C@@H](C)CN(C)C(=O)C(N)=O)[nH+]1 ZINC001120555259 779641429 /nfs/dbraw/zinc/64/14/29/779641429.db2.gz PDBQFYRJXPVZBW-ZETCQYMHSA-N 1 2 295.347 -1.010 20 0 CAADLO COCC(=O)NC[C@H](CO)Nc1nc(N(C)C)nc(C)[nH+]1 ZINC001120991384 779645854 /nfs/dbraw/zinc/64/58/54/779645854.db2.gz AFPMTPDNWJTGJE-SECBINFHSA-N 1 2 298.347 -1.219 20 0 CAADLO CC(=O)NCC(=O)NC[C@@H](CO)Nc1cc[nH+]c(C)n1 ZINC001121128362 779646982 /nfs/dbraw/zinc/64/69/82/779646982.db2.gz ILNRMYAFZXIVLA-JTQLQIEISA-N 1 2 281.316 -1.190 20 0 CAADLO CC(=O)NCC(=O)NC[C@H](CO)Nc1cc[nH+]c(C)n1 ZINC001121128363 779647070 /nfs/dbraw/zinc/64/70/70/779647070.db2.gz ILNRMYAFZXIVLA-SNVBAGLBSA-N 1 2 281.316 -1.190 20 0 CAADLO Cc1nc(N[C@H](CO)CNC(=O)[C@H]2CCC(=O)N2)cc[nH+]1 ZINC001121332865 779648571 /nfs/dbraw/zinc/64/85/71/779648571.db2.gz ZBKHYKHGEJZBCX-VHSXEESVSA-N 1 2 293.327 -1.047 20 0 CAADLO Cc1nc(N[C@@H](CO)CNC(=O)[C@@H]2COC(=O)N2)cc[nH+]1 ZINC001121385176 779649396 /nfs/dbraw/zinc/64/93/96/779649396.db2.gz HXWICCZTDNOCEC-BDAKNGLRSA-N 1 2 295.299 -1.218 20 0 CAADLO Cc1nc(N[C@@H](CO)CNC(=O)[C@H](C)NC(N)=O)cc[nH+]1 ZINC001121375426 779649469 /nfs/dbraw/zinc/64/94/69/779649469.db2.gz CFAFWBPNASCIHY-IONNQARKSA-N 1 2 296.331 -1.269 20 0 CAADLO Cc1nc(N[C@@H](CO)CNC(=O)[C@H]2COC(=O)N2)cc[nH+]1 ZINC001121385180 779649564 /nfs/dbraw/zinc/64/95/64/779649564.db2.gz HXWICCZTDNOCEC-RKDXNWHRSA-N 1 2 295.299 -1.218 20 0 CAADLO Cc1nc(N[C@H](CO)CNC(=O)CCNC(N)=O)cc[nH+]1 ZINC001121591636 779650324 /nfs/dbraw/zinc/65/03/24/779650324.db2.gz TZFBNJGBOMAURY-VIFPVBQESA-N 1 2 296.331 -1.268 20 0 CAADLO Cc1nc(N[C@H](CO)CNC(=O)Cn2ncnn2)cc[nH+]1 ZINC001122078575 779656556 /nfs/dbraw/zinc/65/65/56/779656556.db2.gz WDYWXAKCKMOXSV-VIFPVBQESA-N 1 2 292.303 -1.639 20 0 CAADLO Cc1nc(N[C@@H](CO)CNC(=O)Cn2ncnn2)cc[nH+]1 ZINC001122078574 779656698 /nfs/dbraw/zinc/65/66/98/779656698.db2.gz WDYWXAKCKMOXSV-SECBINFHSA-N 1 2 292.303 -1.639 20 0 CAADLO Cc1nc(N[C@H](CO)CNC(=O)Cn2nccn2)cc[nH+]1 ZINC001122097963 779657830 /nfs/dbraw/zinc/65/78/30/779657830.db2.gz IFNRPZZHATVNRU-JTQLQIEISA-N 1 2 291.315 -1.034 20 0 CAADLO Cc1nc(N[C@@H](CO)CNC(=O)Cn2nccn2)cc[nH+]1 ZINC001122097964 779657951 /nfs/dbraw/zinc/65/79/51/779657951.db2.gz IFNRPZZHATVNRU-SNVBAGLBSA-N 1 2 291.315 -1.034 20 0 CAADLO Cc1nc(N[C@@H](CO)CNC(=O)c2nnn(C)n2)cc[nH+]1 ZINC001122334660 779665552 /nfs/dbraw/zinc/66/55/52/779665552.db2.gz VMHLXGLMQOZSTK-MRVPVSSYSA-N 1 2 292.303 -1.489 20 0 CAADLO Cc1nc(N[C@@H](CO)CNC(=O)C2(C(N)=O)CC2)cc[nH+]1 ZINC001122451015 779669024 /nfs/dbraw/zinc/66/90/24/779669024.db2.gz CZMJEBRLKUNUPI-SECBINFHSA-N 1 2 293.327 -1.060 20 0 CAADLO CNC(=O)Cc1noc(C[NH2+]CCNC(=O)C2CC2)n1 ZINC001122449922 779669130 /nfs/dbraw/zinc/66/91/30/779669130.db2.gz SUELPFFIYCRBBU-UHFFFAOYSA-N 1 2 281.316 -1.026 20 0 CAADLO Cc1nc(N(C)C)nc(N[C@H](CO)CNC(=O)C(N)=O)[nH+]1 ZINC001122451498 779669910 /nfs/dbraw/zinc/66/99/10/779669910.db2.gz KXKPAVFQJXVMFY-ZETCQYMHSA-N 1 2 297.319 -2.380 20 0 CAADLO C[C@@H](C(=O)N[C@@]1(C)CCOC1=O)N1CC[NH2+]CC1=O ZINC001122511357 779671240 /nfs/dbraw/zinc/67/12/40/779671240.db2.gz MYCHILFOTZQDPA-UFBFGSQYSA-N 1 2 269.301 -1.372 20 0 CAADLO Cn1[nH]c(C[NH2+]CCNC(=O)C2CCOCC2)nc1=O ZINC001122492722 779671408 /nfs/dbraw/zinc/67/14/08/779671408.db2.gz SZZXOBHKTCGPCR-UHFFFAOYSA-N 1 2 283.332 -1.259 20 0 CAADLO COCCc1noc(C[NH2+]CCNC(=O)CNC(C)=O)n1 ZINC001122667785 779673494 /nfs/dbraw/zinc/67/34/94/779673494.db2.gz LVCUFOOLKDZGFX-UHFFFAOYSA-N 1 2 299.331 -1.400 20 0 CAADLO COCc1noc(C[NH2+]CCNC(=O)CNC(C)=O)n1 ZINC001122667971 779673722 /nfs/dbraw/zinc/67/37/22/779673722.db2.gz PPCPUJPZXCBGRO-UHFFFAOYSA-N 1 2 285.304 -1.442 20 0 CAADLO CC(=O)NCC(=O)NCC[NH2+]Cc1nc(N(C)C)no1 ZINC001122668220 779673903 /nfs/dbraw/zinc/67/39/03/779673903.db2.gz WEFXDMPFHGYTSY-UHFFFAOYSA-N 1 2 284.320 -1.523 20 0 CAADLO CC(=O)N[C@H](C)C(=O)NCC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001123071964 779677916 /nfs/dbraw/zinc/67/79/16/779677916.db2.gz JFDFYRWMOYQRND-SSDOTTSWSA-N 1 2 284.320 -2.161 20 0 CAADLO CCc1nnc(C[NH2+]CCNC(=O)CNC(N)=O)o1 ZINC001123234806 779682073 /nfs/dbraw/zinc/68/20/73/779682073.db2.gz BKGWGGBNDNVDPH-UHFFFAOYSA-N 1 2 270.293 -1.494 20 0 CAADLO NC(=O)NCC(=O)NCC[NH2+]Cc1nc(CC2CC2)no1 ZINC001123242448 779683031 /nfs/dbraw/zinc/68/30/31/779683031.db2.gz REEWQZJDKBNIOS-UHFFFAOYSA-N 1 2 296.331 -1.104 20 0 CAADLO Cc1cnc(C[NH2+]CCNC(=O)CNC(N)=O)o1 ZINC001123257912 779684378 /nfs/dbraw/zinc/68/43/78/779684378.db2.gz KWSLGVPQHZTODA-UHFFFAOYSA-N 1 2 255.278 -1.143 20 0 CAADLO COCc1noc(C[NH2+]CCNC(=O)CNC(N)=O)n1 ZINC001123258083 779684393 /nfs/dbraw/zinc/68/43/93/779684393.db2.gz MECWGEDPWPPELG-UHFFFAOYSA-N 1 2 286.292 -1.910 20 0 CAADLO Cn1[nH]c(C[NH2+]CCNC(=O)CNC(N)=O)nc1=O ZINC001123258812 779684397 /nfs/dbraw/zinc/68/43/97/779684397.db2.gz UEIOVLBOSHCQBF-UHFFFAOYSA-N 1 2 271.281 -3.018 20 0 CAADLO NC(=O)NCC(=O)NCC[NH2+]Cc1ncccn1 ZINC001123257990 779684938 /nfs/dbraw/zinc/68/49/38/779684938.db2.gz LIRZGQYFBHROLM-UHFFFAOYSA-N 1 2 252.278 -1.649 20 0 CAADLO Cc1noc(C[NH2+]CCNC(=O)CNC(N)=O)n1 ZINC001123258088 779685070 /nfs/dbraw/zinc/68/50/70/779685070.db2.gz MFASAFCBUNJMOV-UHFFFAOYSA-N 1 2 256.266 -1.748 20 0 CAADLO O=C(Cn1cnnn1)NCC[NH2+]Cc1nnc(C2CC2)o1 ZINC001123306034 779685899 /nfs/dbraw/zinc/68/58/99/779685899.db2.gz SYUPEIQOYBUJBX-UHFFFAOYSA-N 1 2 292.303 -1.161 20 0 CAADLO CCCc1noc(C[NH2+]CCNC(=O)Cn2cnnn2)n1 ZINC001123312937 779685934 /nfs/dbraw/zinc/68/59/34/779685934.db2.gz KPVBBFMDXWZBQQ-UHFFFAOYSA-N 1 2 294.319 -1.085 20 0 CAADLO Cn1[nH]c(C[NH2+]CCNC(=O)Cn2cnnn2)nc1=O ZINC001123305211 779686141 /nfs/dbraw/zinc/68/61/41/779686141.db2.gz OQSVZIIKTJQRCA-UHFFFAOYSA-N 1 2 281.280 -2.999 20 0 CAADLO CCc1nnc(C[NH2+]CCNC(=O)Cn2cnnn2)o1 ZINC001123312218 779686320 /nfs/dbraw/zinc/68/63/20/779686320.db2.gz ANINIKOFGDBVCP-UHFFFAOYSA-N 1 2 280.292 -1.476 20 0 CAADLO Cc1noc(C[NH2+]CCNC(=O)Cn2cnnn2)n1 ZINC001123306339 779686427 /nfs/dbraw/zinc/68/64/27/779686427.db2.gz VARCVBCMSDCEBG-UHFFFAOYSA-N 1 2 266.265 -1.729 20 0 CAADLO O=C(Cn1cnnn1)NCC[NH2+]Cc1csnn1 ZINC001123313870 779687056 /nfs/dbraw/zinc/68/70/56/779687056.db2.gz YMZPQUZCVGXCRP-UHFFFAOYSA-N 1 2 268.306 -1.569 20 0 CAADLO Cc1nnc([C@@H](C)[NH2+]CCNC(=O)Cn2cnnn2)o1 ZINC001123327481 779686863 /nfs/dbraw/zinc/68/68/63/779686863.db2.gz RMKOPOIOUNBUAX-SSDOTTSWSA-N 1 2 280.292 -1.168 20 0 CAADLO O=C(Cn1cnnn1)NCC[NH2+]Cc1cnon1 ZINC001123313686 779687398 /nfs/dbraw/zinc/68/73/98/779687398.db2.gz VIYJBTYMEBOFLY-UHFFFAOYSA-N 1 2 252.238 -2.038 20 0 CAADLO O=C(Cn1cnnn1)NCC[NH2+]Cc1cnsn1 ZINC001123313022 779687431 /nfs/dbraw/zinc/68/74/31/779687431.db2.gz NMLWCSTXCWZFGN-UHFFFAOYSA-N 1 2 268.306 -1.569 20 0 CAADLO CCc1noc(C[NH2+]CCNC(=O)Cn2cnnn2)n1 ZINC001123327773 779687492 /nfs/dbraw/zinc/68/74/92/779687492.db2.gz WMZZRVDCGPJMBQ-UHFFFAOYSA-N 1 2 280.292 -1.476 20 0 CAADLO Cc1noc([C@@H](C)[NH2+]CCNC(=O)Cn2cnnn2)n1 ZINC001123335302 779688095 /nfs/dbraw/zinc/68/80/95/779688095.db2.gz MDRGOPQUSAEGKI-SSDOTTSWSA-N 1 2 280.292 -1.168 20 0 CAADLO Cc1noc([C@H](C)[NH2+]CCNC(=O)Cn2cnnn2)n1 ZINC001123335303 779688135 /nfs/dbraw/zinc/68/81/35/779688135.db2.gz MDRGOPQUSAEGKI-ZETCQYMHSA-N 1 2 280.292 -1.168 20 0 CAADLO C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NCC[S@](C)=O ZINC001123559894 779690331 /nfs/dbraw/zinc/69/03/31/779690331.db2.gz UESBXKGYVHNTMH-YHTYYEMMSA-N 1 2 259.375 -1.131 20 0 CAADLO C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NCC[S@](C)=O ZINC001123559894 779690332 /nfs/dbraw/zinc/69/03/32/779690332.db2.gz UESBXKGYVHNTMH-YHTYYEMMSA-N 1 2 259.375 -1.131 20 0 CAADLO CCOCC(=O)NC[C@H]1C[N@H+](CC(N)=O)CCCO1 ZINC001149098976 779691199 /nfs/dbraw/zinc/69/11/99/779691199.db2.gz OSKVOSDBKZMRDZ-JTQLQIEISA-N 1 2 273.333 -1.285 20 0 CAADLO CCOCC(=O)NC[C@H]1C[N@@H+](CC(N)=O)CCCO1 ZINC001149098976 779691200 /nfs/dbraw/zinc/69/12/00/779691200.db2.gz OSKVOSDBKZMRDZ-JTQLQIEISA-N 1 2 273.333 -1.285 20 0 CAADLO Cc1nonc1C[NH2+]CCNC(=O)[C@@H]1COCCO1 ZINC001123869743 779695377 /nfs/dbraw/zinc/69/53/77/779695377.db2.gz KUPCNPPKKWFKCV-JTQLQIEISA-N 1 2 270.289 -1.001 20 0 CAADLO Cc1noc(C[NH2+]CCNC(=O)[C@@H]2COCCO2)n1 ZINC001123868994 779695443 /nfs/dbraw/zinc/69/54/43/779695443.db2.gz FOBAUPNOQDHPGR-VIFPVBQESA-N 1 2 270.289 -1.001 20 0 CAADLO C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N[C@H]1COCCC1=O ZINC001123840905 779695486 /nfs/dbraw/zinc/69/54/86/779695486.db2.gz PZXUTPLVJIDVDT-VWYCJHECSA-N 1 2 267.329 -1.151 20 0 CAADLO C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)N[C@H]1COCCC1=O ZINC001123840905 779695489 /nfs/dbraw/zinc/69/54/89/779695489.db2.gz PZXUTPLVJIDVDT-VWYCJHECSA-N 1 2 267.329 -1.151 20 0 CAADLO Cn1[nH]c(C[NH2+]CCNC(=O)[C@@H]2COCCO2)nc1=O ZINC001123869738 779695506 /nfs/dbraw/zinc/69/55/06/779695506.db2.gz KTCUDVRMWXYRPK-QMMMGPOBSA-N 1 2 285.304 -2.270 20 0 CAADLO C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N[C@H]1COCCC1=O ZINC001123840904 779695764 /nfs/dbraw/zinc/69/57/64/779695764.db2.gz PZXUTPLVJIDVDT-OUAUKWLOSA-N 1 2 267.329 -1.151 20 0 CAADLO C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N[C@H]1COCCC1=O ZINC001123840904 779695767 /nfs/dbraw/zinc/69/57/67/779695767.db2.gz PZXUTPLVJIDVDT-OUAUKWLOSA-N 1 2 267.329 -1.151 20 0 CAADLO C[C@H]1CN2CC[N@@H+]1C[C@H]2C(=O)NN1CCOC1=O ZINC001123940499 779699397 /nfs/dbraw/zinc/69/93/97/779699397.db2.gz RKQBGBRPHLAAHV-IUCAKERBSA-N 1 2 254.290 -1.142 20 0 CAADLO C[C@H]1CN2CC[N@H+]1C[C@H]2C(=O)NN1CCOC1=O ZINC001123940499 779699405 /nfs/dbraw/zinc/69/94/05/779699405.db2.gz RKQBGBRPHLAAHV-IUCAKERBSA-N 1 2 254.290 -1.142 20 0 CAADLO CCO[C@@H](C)C(=O)NCC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001123962176 779699691 /nfs/dbraw/zinc/69/96/91/779699691.db2.gz DAOGVBMEBBLCIR-QMMMGPOBSA-N 1 2 271.321 -1.261 20 0 CAADLO C[C@@H](C(=O)N1CC(C(N)=O)C1)[NH+]1CCN(C)CC1 ZINC001123946014 779699757 /nfs/dbraw/zinc/69/97/57/779699757.db2.gz DSISOFVQLZDCCV-VIFPVBQESA-N 1 2 254.334 -1.434 20 0 CAADLO Cc1nc(NC[C@@H](O)CN(C)C(=O)CNC(N)=O)cc[nH+]1 ZINC001124076434 779701643 /nfs/dbraw/zinc/70/16/43/779701643.db2.gz IVWZHVZOJZCEMA-SECBINFHSA-N 1 2 296.331 -1.315 20 0 CAADLO Cn1[nH]c(C[NH2+]CCNC(=O)C[C@@H]2CCCO2)nc1=O ZINC001124033306 779701686 /nfs/dbraw/zinc/70/16/86/779701686.db2.gz MMKWBXVWNQNNDK-VIFPVBQESA-N 1 2 283.332 -1.117 20 0 CAADLO Cn1[nH]c(C[NH2+]CCNC(=O)c2cn[nH]c2)nc1=O ZINC001124067574 779702104 /nfs/dbraw/zinc/70/21/04/779702104.db2.gz ASUAHJZFDALHMC-UHFFFAOYSA-N 1 2 265.277 -1.649 20 0 CAADLO Cn1[nH]c(C[NH2+]CCNC(=O)C[C@H]2CCCO2)nc1=O ZINC001124033304 779702204 /nfs/dbraw/zinc/70/22/04/779702204.db2.gz MMKWBXVWNQNNDK-SECBINFHSA-N 1 2 283.332 -1.117 20 0 CAADLO Cc1nc(NC[C@H](O)CN(C)C(=O)CNC(N)=O)cc[nH+]1 ZINC001124076435 779702375 /nfs/dbraw/zinc/70/23/75/779702375.db2.gz IVWZHVZOJZCEMA-VIFPVBQESA-N 1 2 296.331 -1.315 20 0 CAADLO O=C(CNC(=O)C1CC1)NCC[NH2+]Cc1cnon1 ZINC001124108227 779703589 /nfs/dbraw/zinc/70/35/89/779703589.db2.gz YFYWGJOQPSGMEH-UHFFFAOYSA-N 1 2 267.289 -1.198 20 0 CAADLO CCO[C@H]1C[C@@H]1C(=O)NCC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001124142186 779704294 /nfs/dbraw/zinc/70/42/94/779704294.db2.gz ZTGZPWDPIZHQOK-IUCAKERBSA-N 1 2 283.332 -1.261 20 0 CAADLO CCO[C@@H]1C[C@@H]1C(=O)NCC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001124142185 779704321 /nfs/dbraw/zinc/70/43/21/779704321.db2.gz ZTGZPWDPIZHQOK-DTWKUNHWSA-N 1 2 283.332 -1.261 20 0 CAADLO Cn1nnnc1C[NH2+]CCNC(=O)CS(C)(=O)=O ZINC001124356982 779710069 /nfs/dbraw/zinc/71/00/69/779710069.db2.gz VCZJGFGPSUEVDJ-UHFFFAOYSA-N 1 2 276.322 -2.540 20 0 CAADLO CS(=O)(=O)CC(=O)NCC[NH2+]Cc1cnon1 ZINC001124361686 779710174 /nfs/dbraw/zinc/71/01/74/779710174.db2.gz AJSMIKCZMDXRTK-UHFFFAOYSA-N 1 2 262.291 -1.680 20 0 CAADLO CC(C)OCC(=O)NCC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001124432380 779711693 /nfs/dbraw/zinc/71/16/93/779711693.db2.gz XWFITELPUMAHEE-UHFFFAOYSA-N 1 2 271.321 -1.261 20 0 CAADLO CCNC(=O)CCC(=O)NCC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001124726813 779716511 /nfs/dbraw/zinc/71/65/11/779716511.db2.gz KAYUCKFSXDUOFV-UHFFFAOYSA-N 1 2 298.347 -1.770 20 0 CAADLO Cc1noc(C[NH2+]CCNC(=O)[C@H]2CCC(=O)N2)n1 ZINC001124804705 779717541 /nfs/dbraw/zinc/71/75/41/779717541.db2.gz GGIHEPKKAHFMJT-MRVPVSSYSA-N 1 2 267.289 -1.138 20 0 CAADLO Nc1nccnc1C(=O)NCC[NH2+]Cc1cnon1 ZINC001125033986 779721110 /nfs/dbraw/zinc/72/11/10/779721110.db2.gz IUPLKYZBOVSWJK-UHFFFAOYSA-N 1 2 263.261 -1.039 20 0 CAADLO Cn1[nH]c(C[NH2+]CCNC(=O)Cc2cc[nH]n2)nc1=O ZINC001125141673 779722362 /nfs/dbraw/zinc/72/23/62/779722362.db2.gz XKTUTPWTFPPHJT-UHFFFAOYSA-N 1 2 279.304 -1.720 20 0 CAADLO COC[C@@H](NC(=O)CCc1[nH+]ccn1C)C(N)=O ZINC001137612140 779726681 /nfs/dbraw/zinc/72/66/81/779726681.db2.gz CBQAKWRZHYEICR-MRVPVSSYSA-N 1 2 254.290 -1.031 20 0 CAADLO O=C1CC[C@H](C[NH+]2CC(N3CCNC(=O)C3)C2)N1 ZINC001202877747 779733517 /nfs/dbraw/zinc/73/35/17/779733517.db2.gz IRZJWDVBEVIMIA-SECBINFHSA-N 1 2 252.318 -1.619 20 0 CAADLO C[C@H](NC(=O)C(=O)NCC(F)F)C1C[NH+](CC(N)=O)C1 ZINC001276398295 779733969 /nfs/dbraw/zinc/73/39/69/779733969.db2.gz XHMQATSGVLJDNR-LURJTMIESA-N 1 2 292.286 -1.711 20 0 CAADLO COC(=O)[C@@H]1C[N@H+](C[C@@H]2CCC(=O)N2)CCN1C(C)=O ZINC001202903449 779734293 /nfs/dbraw/zinc/73/42/93/779734293.db2.gz PRQBRQYCIXZHRK-QWRGUYRKSA-N 1 2 283.328 -1.029 20 0 CAADLO COC(=O)[C@@H]1C[N@@H+](C[C@@H]2CCC(=O)N2)CCN1C(C)=O ZINC001202903449 779734301 /nfs/dbraw/zinc/73/43/01/779734301.db2.gz PRQBRQYCIXZHRK-QWRGUYRKSA-N 1 2 283.328 -1.029 20 0 CAADLO NC(=O)C(NC(=O)C[NH+]1CCC(CO)CC1)C(N)=O ZINC001141291420 779740885 /nfs/dbraw/zinc/74/08/85/779740885.db2.gz QKDHOEYYYFAIAK-UHFFFAOYSA-N 1 2 272.305 -2.854 20 0 CAADLO C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)Nc1nnc2[nH]cnn12 ZINC001141672288 779743680 /nfs/dbraw/zinc/74/36/80/779743680.db2.gz DZYMXDOVLFHOOV-LHLIQPBNSA-N 1 2 265.277 -1.154 20 0 CAADLO C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)Nc1nnc2[nH]cnn12 ZINC001141672288 779743687 /nfs/dbraw/zinc/74/36/87/779743687.db2.gz DZYMXDOVLFHOOV-LHLIQPBNSA-N 1 2 265.277 -1.154 20 0 CAADLO C[N@@H+]1C[C@@H](O)C[C@]1(C)C(=O)Nc1nnc2[nH]cnn12 ZINC001141672289 779744301 /nfs/dbraw/zinc/74/43/01/779744301.db2.gz DZYMXDOVLFHOOV-QUBYGPBYSA-N 1 2 265.277 -1.154 20 0 CAADLO C[N@H+]1C[C@@H](O)C[C@]1(C)C(=O)Nc1nnc2[nH]cnn12 ZINC001141672289 779744305 /nfs/dbraw/zinc/74/43/05/779744305.db2.gz DZYMXDOVLFHOOV-QUBYGPBYSA-N 1 2 265.277 -1.154 20 0 CAADLO Cn1c[nH+]c(CCNC(=O)CN2C(=O)CN(C)C2=O)c1 ZINC001141921756 779745279 /nfs/dbraw/zinc/74/52/79/779745279.db2.gz YCHUTRZMUXDNOH-UHFFFAOYSA-N 1 2 279.300 -1.027 20 0 CAADLO O=C(Cn1cccnc1=O)N[C@@H](CO)Cc1c[nH]c[nH+]1 ZINC001141958257 779745722 /nfs/dbraw/zinc/74/57/22/779745722.db2.gz YBCHVFOAPLZNHY-SNVBAGLBSA-N 1 2 277.284 -1.314 20 0 CAADLO O=C(Cn1cccnc1=O)N[C@@H](CO)Cc1c[nH+]c[nH]1 ZINC001141958257 779745728 /nfs/dbraw/zinc/74/57/28/779745728.db2.gz YBCHVFOAPLZNHY-SNVBAGLBSA-N 1 2 277.284 -1.314 20 0 CAADLO Cn1c[nH+]cc1CC(=O)NC[C@H](O)Cn1ccnn1 ZINC001141931219 779745812 /nfs/dbraw/zinc/74/58/12/779745812.db2.gz VGGJFWLFQJYJEU-JTQLQIEISA-N 1 2 264.289 -1.269 20 0 CAADLO C[N@@H+]1CCO[C@@H](CNC(=O)Cn2cccnc2=O)C1 ZINC001141954284 779745997 /nfs/dbraw/zinc/74/59/97/779745997.db2.gz NENSXWZERMWREO-JTQLQIEISA-N 1 2 266.301 -1.310 20 0 CAADLO C[N@H+]1CCO[C@@H](CNC(=O)Cn2cccnc2=O)C1 ZINC001141954284 779746001 /nfs/dbraw/zinc/74/60/01/779746001.db2.gz NENSXWZERMWREO-JTQLQIEISA-N 1 2 266.301 -1.310 20 0 CAADLO COC(=O)[C@H]1C[N@H+](C)CCN1C(=O)Cn1cccnc1=O ZINC001141943155 779746152 /nfs/dbraw/zinc/74/61/52/779746152.db2.gz GNDWFVDWPIIZQT-SNVBAGLBSA-N 1 2 294.311 -1.441 20 0 CAADLO COC(=O)[C@H]1C[N@@H+](C)CCN1C(=O)Cn1cccnc1=O ZINC001141943155 779746156 /nfs/dbraw/zinc/74/61/56/779746156.db2.gz GNDWFVDWPIIZQT-SNVBAGLBSA-N 1 2 294.311 -1.441 20 0 CAADLO O=C(CN1CC(=O)NC1=O)NCCn1cc[nH+]c1 ZINC001142084443 779748741 /nfs/dbraw/zinc/74/87/41/779748741.db2.gz XKXLFLNQKNXOTR-UHFFFAOYSA-N 1 2 251.246 -1.449 20 0 CAADLO Cc1c[nH]c(CCNC(=O)CN2CC(=O)NC2=O)[nH+]1 ZINC001142093410 779749990 /nfs/dbraw/zinc/74/99/90/779749990.db2.gz YGDDXVUYCBCOET-UHFFFAOYSA-N 1 2 265.273 -1.071 20 0 CAADLO COCCn1c[nH+]cc1CNC(=O)CN1CC(=O)NC1=O ZINC001142093192 779750191 /nfs/dbraw/zinc/75/01/91/779750191.db2.gz UQCCNTYOPHBPKW-UHFFFAOYSA-N 1 2 295.299 -1.303 20 0 CAADLO COC(=O)[C@@H]1C[N@H+](C)CCN1C(=O)Cn1cnnn1 ZINC001142137403 779753443 /nfs/dbraw/zinc/75/34/43/779753443.db2.gz LAUUSSYLPYFHLS-QMMMGPOBSA-N 1 2 268.277 -2.011 20 0 CAADLO COC(=O)[C@@H]1C[N@@H+](C)CCN1C(=O)Cn1cnnn1 ZINC001142137403 779753448 /nfs/dbraw/zinc/75/34/48/779753448.db2.gz LAUUSSYLPYFHLS-QMMMGPOBSA-N 1 2 268.277 -2.011 20 0 CAADLO Cc1cn(CC(=O)NC[C@@H]2C[N@H+](C)CCO2)c(=O)[nH]c1=O ZINC001142319314 779756979 /nfs/dbraw/zinc/75/69/79/779756979.db2.gz NZIWDEQWAOFANX-SNVBAGLBSA-N 1 2 296.327 -1.296 20 0 CAADLO Cc1cn(CC(=O)NC[C@@H]2C[N@@H+](C)CCO2)c(=O)[nH]c1=O ZINC001142319314 779756985 /nfs/dbraw/zinc/75/69/85/779756985.db2.gz NZIWDEQWAOFANX-SNVBAGLBSA-N 1 2 296.327 -1.296 20 0 CAADLO CS(=O)(=O)CCC(=O)N[C@@H](CO)Cc1c[nH]c[nH+]1 ZINC001142536587 779759608 /nfs/dbraw/zinc/75/96/08/779759608.db2.gz QKRPOBGCYVYMFQ-SECBINFHSA-N 1 2 275.330 -1.136 20 0 CAADLO CS(=O)(=O)CCC(=O)N[C@@H](CO)Cc1c[nH+]c[nH]1 ZINC001142536587 779759616 /nfs/dbraw/zinc/75/96/16/779759616.db2.gz QKRPOBGCYVYMFQ-SECBINFHSA-N 1 2 275.330 -1.136 20 0 CAADLO [NH3+][C@@H]1NCN(C(=O)C(=O)c2ccccc2)[C@H]2NCN[C@@H]21 ZINC001142694492 779760413 /nfs/dbraw/zinc/76/04/13/779760413.db2.gz WGUMQQMPQQPLOR-YUSALJHKSA-N 1 2 275.312 -1.612 20 0 CAADLO COC(=O)[C@H](Cc1c[nH+]cn1C)NC(=O)C(N)=O ZINC001142941517 779764703 /nfs/dbraw/zinc/76/47/03/779764703.db2.gz FDUWRYCEYYWFKN-ZETCQYMHSA-N 1 2 254.246 -1.894 20 0 CAADLO COC(=O)[C@H]1C[N@H+](C)CCN1C(=O)CCC(N)=O ZINC001142950597 779764875 /nfs/dbraw/zinc/76/48/75/779764875.db2.gz XBLNULYNXVBIDZ-MRVPVSSYSA-N 1 2 257.290 -1.433 20 0 CAADLO COC(=O)[C@H]1C[N@@H+](C)CCN1C(=O)CCC(N)=O ZINC001142950597 779764880 /nfs/dbraw/zinc/76/48/80/779764880.db2.gz XBLNULYNXVBIDZ-MRVPVSSYSA-N 1 2 257.290 -1.433 20 0 CAADLO COC(=O)[C@@H](Cc1c[nH+]cn1C)NC(=O)CCC(N)=O ZINC001142961105 779764963 /nfs/dbraw/zinc/76/49/63/779764963.db2.gz FQAAPXBWSDEXCR-SECBINFHSA-N 1 2 282.300 -1.114 20 0 CAADLO COC(=O)[C@@H](Cc1c[nH+]cn1C)NC(=O)C1(C(N)=O)CC1 ZINC001143165924 779770075 /nfs/dbraw/zinc/77/00/75/779770075.db2.gz WVWUUBFXUGEZRB-SECBINFHSA-N 1 2 294.311 -1.114 20 0 CAADLO COC(=O)[C@H](Cc1c[nH+]cn1C)NC(=O)C1(C(N)=O)CC1 ZINC001143165925 779770101 /nfs/dbraw/zinc/77/01/01/779770101.db2.gz WVWUUBFXUGEZRB-VIFPVBQESA-N 1 2 294.311 -1.114 20 0 CAADLO C[NH+]1CCN(CCC(=O)NCC(=O)CCO)CC1 ZINC001143237867 779770250 /nfs/dbraw/zinc/77/02/50/779770250.db2.gz UNVUHTKUCMWJAZ-UHFFFAOYSA-N 1 2 257.334 -1.308 20 0 CAADLO COC(=O)[C@@H](Cc1c[nH+]cn1C)NC(=O)C(=O)N(C)C ZINC001143283535 779771101 /nfs/dbraw/zinc/77/11/01/779771101.db2.gz DNSLJVCJBPJHHD-SECBINFHSA-N 1 2 282.300 -1.291 20 0 CAADLO COC(=O)[C@@H]1C[N@H+](C)CCN1C(=O)[C@@H]1CNC(=O)C1 ZINC001143292600 779772458 /nfs/dbraw/zinc/77/24/58/779772458.db2.gz LEDWYFZGZPAXQB-IUCAKERBSA-N 1 2 269.301 -1.562 20 0 CAADLO COC(=O)[C@@H]1C[N@@H+](C)CCN1C(=O)[C@@H]1CNC(=O)C1 ZINC001143292600 779772461 /nfs/dbraw/zinc/77/24/61/779772461.db2.gz LEDWYFZGZPAXQB-IUCAKERBSA-N 1 2 269.301 -1.562 20 0 CAADLO CO[C@@H](C)C(=O)NC[C@@H]1C[N@H+](CC(N)=O)CCCO1 ZINC001149295023 779774753 /nfs/dbraw/zinc/77/47/53/779774753.db2.gz YFLJAUAVMQQTPS-VHSXEESVSA-N 1 2 273.333 -1.286 20 0 CAADLO CO[C@@H](C)C(=O)NC[C@@H]1C[N@@H+](CC(N)=O)CCCO1 ZINC001149295023 779774757 /nfs/dbraw/zinc/77/47/57/779774757.db2.gz YFLJAUAVMQQTPS-VHSXEESVSA-N 1 2 273.333 -1.286 20 0 CAADLO CO[C@H](C)C(=O)NC[C@H]1C[N@H+](CC(N)=O)CCCO1 ZINC001149295024 779774964 /nfs/dbraw/zinc/77/49/64/779774964.db2.gz YFLJAUAVMQQTPS-ZJUUUORDSA-N 1 2 273.333 -1.286 20 0 CAADLO CO[C@H](C)C(=O)NC[C@H]1C[N@@H+](CC(N)=O)CCCO1 ZINC001149295024 779774967 /nfs/dbraw/zinc/77/49/67/779774967.db2.gz YFLJAUAVMQQTPS-ZJUUUORDSA-N 1 2 273.333 -1.286 20 0 CAADLO NC(=O)CC(=O)NC[C@H]1C[N@H+](CC(N)=O)CCCO1 ZINC001149466528 779779251 /nfs/dbraw/zinc/77/92/51/779779251.db2.gz WCSCYJJCKWLBBR-QMMMGPOBSA-N 1 2 272.305 -2.446 20 0 CAADLO NC(=O)CC(=O)NC[C@H]1C[N@@H+](CC(N)=O)CCCO1 ZINC001149466528 779779253 /nfs/dbraw/zinc/77/92/53/779779253.db2.gz WCSCYJJCKWLBBR-QMMMGPOBSA-N 1 2 272.305 -2.446 20 0 CAADLO CC(=O)N1CCO[C@@H](C(=O)NCC[NH2+]Cc2cnon2)C1 ZINC001149529643 779780335 /nfs/dbraw/zinc/78/03/35/779780335.db2.gz BXMXYPBGUMNVLO-LLVKDONJSA-N 1 2 297.315 -1.477 20 0 CAADLO CNC(=O)CC(=O)NC[C@H]1C[N@H+](CC(N)=O)CCCO1 ZINC001149614026 779781194 /nfs/dbraw/zinc/78/11/94/779781194.db2.gz BOKGYFGDCZLTEM-VIFPVBQESA-N 1 2 286.332 -2.185 20 0 CAADLO CNC(=O)CC(=O)NC[C@H]1C[N@@H+](CC(N)=O)CCCO1 ZINC001149614026 779781197 /nfs/dbraw/zinc/78/11/97/779781197.db2.gz BOKGYFGDCZLTEM-VIFPVBQESA-N 1 2 286.332 -2.185 20 0 CAADLO CNC(=O)CC(=O)NC[C@@H]1C[N@H+](CC(N)=O)CCCO1 ZINC001149614025 779782020 /nfs/dbraw/zinc/78/20/20/779782020.db2.gz BOKGYFGDCZLTEM-SECBINFHSA-N 1 2 286.332 -2.185 20 0 CAADLO CNC(=O)CC(=O)NC[C@@H]1C[N@@H+](CC(N)=O)CCCO1 ZINC001149614025 779782022 /nfs/dbraw/zinc/78/20/22/779782022.db2.gz BOKGYFGDCZLTEM-SECBINFHSA-N 1 2 286.332 -2.185 20 0 CAADLO C[C@@H](CC(=O)N1CC(O)(C(N)=O)C1)n1cc[nH+]c1 ZINC001150119295 779785522 /nfs/dbraw/zinc/78/55/22/779785522.db2.gz YYSRDWLAPDAULJ-QMMMGPOBSA-N 1 2 252.274 -1.107 20 0 CAADLO C[C@H](CC(=O)N1CC(O)(C(N)=O)C1)n1cc[nH+]c1 ZINC001150119294 779786057 /nfs/dbraw/zinc/78/60/57/779786057.db2.gz YYSRDWLAPDAULJ-MRVPVSSYSA-N 1 2 252.274 -1.107 20 0 CAADLO Cc1noc(C[NH2+]CCNC(=O)Cn2cncn2)n1 ZINC001150250017 779788450 /nfs/dbraw/zinc/78/84/50/779788450.db2.gz MLGBOSZEEOJFFM-UHFFFAOYSA-N 1 2 265.277 -1.124 20 0 CAADLO NC(=O)C[N@@H+]1CCCO[C@@H](CNC(=O)C(N)=O)C1 ZINC001150219920 779788662 /nfs/dbraw/zinc/78/86/62/779788662.db2.gz SQCSQOJWRCMWNZ-ZETCQYMHSA-N 1 2 258.278 -2.836 20 0 CAADLO NC(=O)C[N@H+]1CCCO[C@@H](CNC(=O)C(N)=O)C1 ZINC001150219920 779788666 /nfs/dbraw/zinc/78/86/66/779788666.db2.gz SQCSQOJWRCMWNZ-ZETCQYMHSA-N 1 2 258.278 -2.836 20 0 CAADLO NC(=O)C[N@@H+]1CCCO[C@@H](CNC(=O)C2(C(N)=O)CC2)C1 ZINC001150255311 779790427 /nfs/dbraw/zinc/79/04/27/779790427.db2.gz YLVSUSFEFNOZAW-VIFPVBQESA-N 1 2 298.343 -2.056 20 0 CAADLO NC(=O)C[N@H+]1CCCO[C@@H](CNC(=O)C2(C(N)=O)CC2)C1 ZINC001150255311 779790432 /nfs/dbraw/zinc/79/04/32/779790432.db2.gz YLVSUSFEFNOZAW-VIFPVBQESA-N 1 2 298.343 -2.056 20 0 CAADLO CN(C)c1noc(C[NH2+]CCNC(=O)Cn2cncn2)n1 ZINC001150262261 779790719 /nfs/dbraw/zinc/79/07/19/779790719.db2.gz WCGCJNZLLIKMQP-UHFFFAOYSA-N 1 2 294.319 -1.367 20 0 CAADLO Cc1cnc(C[NH2+]CCNC(=O)CN2C(=O)CNC2=O)o1 ZINC001150344427 779791710 /nfs/dbraw/zinc/79/17/10/779791710.db2.gz DRMARWDBRUFQQF-UHFFFAOYSA-N 1 2 295.299 -1.259 20 0 CAADLO Cc1nonc1C[NH2+]CCNC(=O)CN1C(=O)CNC1=O ZINC001150344419 779791903 /nfs/dbraw/zinc/79/19/03/779791903.db2.gz CYMKKDLWMNCPGQ-UHFFFAOYSA-N 1 2 296.287 -1.864 20 0 CAADLO CN1CC(=O)N(CC(=O)NCC[NH2+]Cc2cnon2)C1=O ZINC001150350156 779793028 /nfs/dbraw/zinc/79/30/28/779793028.db2.gz ZGLIHYNRHHRYBG-UHFFFAOYSA-N 1 2 296.287 -1.831 20 0 CAADLO Cc1nnc(C[NH2+]CCNC(=O)CN2C(=O)CNC2=O)o1 ZINC001150349978 779793371 /nfs/dbraw/zinc/79/33/71/779793371.db2.gz PGHRJLLRUGYJBA-UHFFFAOYSA-N 1 2 296.287 -1.864 20 0 CAADLO Cc1nonc1C[NH2+]CCNC(=O)CN1C(=O)CCC1=O ZINC001150473079 779795795 /nfs/dbraw/zinc/79/57/95/779795795.db2.gz QKZOVQVLYQIRSB-UHFFFAOYSA-N 1 2 295.299 -1.267 20 0 CAADLO NC(=O)C[N@@H+]1CCCO[C@H](CNC(=O)Cc2nc[nH]n2)C1 ZINC001150579007 779797369 /nfs/dbraw/zinc/79/73/69/779797369.db2.gz IBEKEGOLBFXGGF-SECBINFHSA-N 1 2 296.331 -1.960 20 0 CAADLO NC(=O)C[N@H+]1CCCO[C@H](CNC(=O)Cc2nc[nH]n2)C1 ZINC001150579007 779797376 /nfs/dbraw/zinc/79/73/76/779797376.db2.gz IBEKEGOLBFXGGF-SECBINFHSA-N 1 2 296.331 -1.960 20 0 CAADLO CNS(=O)(=O)CC(=O)NCC[NH2+]Cc1csnn1 ZINC001151372966 779808664 /nfs/dbraw/zinc/80/86/64/779808664.db2.gz HVMJWICSNVWBFD-UHFFFAOYSA-N 1 2 293.374 -1.707 20 0 CAADLO C[N@@H+]1CCN(C(=O)c2ccc(C(N)=O)[nH]2)C[C@H]1CO ZINC001151358920 779808777 /nfs/dbraw/zinc/80/87/77/779808777.db2.gz KBWSAEWYPYOINM-QMMMGPOBSA-N 1 2 266.301 -1.138 20 0 CAADLO C[N@H+]1CCN(C(=O)c2ccc(C(N)=O)[nH]2)C[C@H]1CO ZINC001151358920 779808784 /nfs/dbraw/zinc/80/87/84/779808784.db2.gz KBWSAEWYPYOINM-QMMMGPOBSA-N 1 2 266.301 -1.138 20 0 CAADLO CNS(=O)(=O)CC(=O)NCC[NH2+]Cc1nnc(C)o1 ZINC001151373426 779809064 /nfs/dbraw/zinc/80/90/64/779809064.db2.gz NSOBSQPNNKHBFF-UHFFFAOYSA-N 1 2 291.333 -1.867 20 0 CAADLO CC(=O)N1CCOC[C@@H]1C(=O)NCC[NH2+]Cc1cnon1 ZINC001151585277 779811681 /nfs/dbraw/zinc/81/16/81/779811681.db2.gz AQSJODMLCBIXHU-LLVKDONJSA-N 1 2 297.315 -1.477 20 0 CAADLO COCC[C@H](C)C(=O)NCC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001151524511 779811825 /nfs/dbraw/zinc/81/18/25/779811825.db2.gz NDSHDANDEZKPGM-VIFPVBQESA-N 1 2 285.348 -1.013 20 0 CAADLO CN(C)[C@H](C(=O)N[C@H]1CCC(=O)NC1=O)c1c[nH+]cn1C ZINC001151525780 779812154 /nfs/dbraw/zinc/81/21/54/779812154.db2.gz FFQMEKXANAHNLN-KWQFWETISA-N 1 2 293.327 -1.056 20 0 CAADLO CC[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]Cc2n[nH]c(=O)[n-]2)C1 ZINC001151740839 779814357 /nfs/dbraw/zinc/81/43/57/779814357.db2.gz YJUCPJNIVOVOQK-SECBINFHSA-N 1 2 298.347 -1.563 20 0 CAADLO CC[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]Cc2n[nH]c(=O)[n-]2)C1 ZINC001151740839 779814363 /nfs/dbraw/zinc/81/43/63/779814363.db2.gz YJUCPJNIVOVOQK-SECBINFHSA-N 1 2 298.347 -1.563 20 0 CAADLO CCS(=O)(=O)CC(=O)NCC[NH2+]Cc1ncnn1C ZINC001152389360 779822253 /nfs/dbraw/zinc/82/22/53/779822253.db2.gz LSFIFAAKQDUUBW-UHFFFAOYSA-N 1 2 289.361 -1.544 20 0 CAADLO COC[C@@](C)(O)C(=O)N[C@H](CO)Cc1c[nH]c[nH+]1 ZINC001152491038 779825063 /nfs/dbraw/zinc/82/50/63/779825063.db2.gz ZOFZTOIPRLXIKS-GXSJLCMTSA-N 1 2 257.290 -1.173 20 0 CAADLO COC[C@@](C)(O)C(=O)N[C@H](CO)Cc1c[nH+]c[nH]1 ZINC001152491038 779825069 /nfs/dbraw/zinc/82/50/69/779825069.db2.gz ZOFZTOIPRLXIKS-GXSJLCMTSA-N 1 2 257.290 -1.173 20 0 CAADLO C[C@]1(C(=O)N[C@H](CO)Cc2c[nH]c[nH+]2)CCNC1=O ZINC001152489807 779825304 /nfs/dbraw/zinc/82/53/04/779825304.db2.gz CJAUTIAKCJZPMZ-CABZTGNLSA-N 1 2 266.301 -1.045 20 0 CAADLO C[C@]1(C(=O)N[C@H](CO)Cc2c[nH+]c[nH]2)CCNC1=O ZINC001152489807 779825311 /nfs/dbraw/zinc/82/53/11/779825311.db2.gz CJAUTIAKCJZPMZ-CABZTGNLSA-N 1 2 266.301 -1.045 20 0 CAADLO Cn1cc(C(=O)NCC[NH2+]Cc2cnon2)n(C)c1=O ZINC001152698927 779828513 /nfs/dbraw/zinc/82/85/13/779828513.db2.gz FAUBXXCNWNUZKG-UHFFFAOYSA-N 1 2 280.288 -1.374 20 0 CAADLO Cc1noc(C[NH2+]CCNC(=O)c2cn(C)c(=O)n2C)n1 ZINC001152691687 779829090 /nfs/dbraw/zinc/82/90/90/779829090.db2.gz SKBUYPGIWKALQB-UHFFFAOYSA-N 1 2 294.315 -1.065 20 0 CAADLO [NH3+][C@@H]1NCN(C(=O)c2[nH]nc3cccnc32)[C@H]2NCN[C@H]21 ZINC001153165484 779835646 /nfs/dbraw/zinc/83/56/46/779835646.db2.gz GDHHITFIQWJXTA-HBNTYKKESA-N 1 2 288.315 -1.909 20 0 CAADLO [NH3+][C@@H]1NCN(C(=O)c2[nH]nc3cccnc32)[C@@H]2NCN[C@@H]21 ZINC001153165485 779836001 /nfs/dbraw/zinc/83/60/01/779836001.db2.gz GDHHITFIQWJXTA-MXWKQRLJSA-N 1 2 288.315 -1.909 20 0 CAADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C1(O)COC1 ZINC001153485721 779839810 /nfs/dbraw/zinc/83/98/10/779839810.db2.gz PSFDBKMLTMDXBN-QMMMGPOBSA-N 1 2 269.257 -1.629 20 0 CAADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C1(O)COC1 ZINC001153485721 779839815 /nfs/dbraw/zinc/83/98/15/779839815.db2.gz PSFDBKMLTMDXBN-QMMMGPOBSA-N 1 2 269.257 -1.629 20 0 CAADLO O=C(C[C@@H]1CC(=O)NC1=O)NCC[NH2+]Cc1ncccn1 ZINC001153882434 779847740 /nfs/dbraw/zinc/84/77/40/779847740.db2.gz FPJYENCRGGWUFB-SECBINFHSA-N 1 2 291.311 -1.265 20 0 CAADLO O=C(C[C@H]1CC(=O)NC1=O)NCC[NH2+]Cc1ncccn1 ZINC001153882435 779848222 /nfs/dbraw/zinc/84/82/22/779848222.db2.gz FPJYENCRGGWUFB-VIFPVBQESA-N 1 2 291.311 -1.265 20 0 CAADLO O=C(C[C@@H]1CC(=O)NC1=O)NCC[NH2+]Cc1cnsn1 ZINC001153882245 779848305 /nfs/dbraw/zinc/84/83/05/779848305.db2.gz BKMUQEVGOXVNGE-SSDOTTSWSA-N 1 2 297.340 -1.203 20 0 CAADLO O=C(C[C@H]1CC(=O)NC1=O)NCC[NH2+]Cc1nncs1 ZINC001153887318 779849094 /nfs/dbraw/zinc/84/90/94/779849094.db2.gz RVCGGFXQBRHSJF-ZETCQYMHSA-N 1 2 297.340 -1.203 20 0 CAADLO Cc1nonc1C[NH2+]CCNC(=O)C[C@H]1CC(=O)NC1=O ZINC001153882701 779849494 /nfs/dbraw/zinc/84/94/94/779849494.db2.gz MNSACAIGQUGAIX-QMMMGPOBSA-N 1 2 295.299 -1.363 20 0 CAADLO Cc1nnc(C[NH2+]CCNC(=O)C[C@H]2CC(=O)NC2=O)o1 ZINC001153882550 779850034 /nfs/dbraw/zinc/85/00/34/779850034.db2.gz IVOGHPUZXFOFAI-QMMMGPOBSA-N 1 2 295.299 -1.363 20 0 CAADLO COCCC(=O)NCCC[NH2+]Cc1nnn(C)n1 ZINC001154021296 779852190 /nfs/dbraw/zinc/85/21/90/779852190.db2.gz HHISYXTZETZPKT-UHFFFAOYSA-N 1 2 256.310 -1.158 20 0 CAADLO CC[N@H+](CC(N)=O)[C@H](C)CNC(=O)c1cn[nH]n1 ZINC001154134934 779854019 /nfs/dbraw/zinc/85/40/19/779854019.db2.gz YMAGJSYMUYNDNA-SSDOTTSWSA-N 1 2 254.294 -1.270 20 0 CAADLO CC[N@@H+](CC(N)=O)[C@H](C)CNC(=O)c1cn[nH]n1 ZINC001154134934 779854022 /nfs/dbraw/zinc/85/40/22/779854022.db2.gz YMAGJSYMUYNDNA-SSDOTTSWSA-N 1 2 254.294 -1.270 20 0 CAADLO CC[N@@H+](CC(N)=O)[C@H](C)CNC(=O)c1cnn[nH]1 ZINC001154134934 779854036 /nfs/dbraw/zinc/85/40/36/779854036.db2.gz YMAGJSYMUYNDNA-SSDOTTSWSA-N 1 2 254.294 -1.270 20 0 CAADLO CC(=O)NCC(=O)NCCC[NH2+]Cc1nnn(C)n1 ZINC001154204301 779854838 /nfs/dbraw/zinc/85/48/38/779854838.db2.gz PHJKZSPBZRIUOQ-UHFFFAOYSA-N 1 2 269.309 -2.058 20 0 CAADLO Cn1nnc(C[NH2+]CCCNC(=O)[C@H]2CCCO2)n1 ZINC001154413545 779858008 /nfs/dbraw/zinc/85/80/08/779858008.db2.gz XGCLCHAYMBYISY-SECBINFHSA-N 1 2 268.321 -1.015 20 0 CAADLO Cn1nnc(C[NH2+]CCCNC(=O)CNC(N)=O)n1 ZINC001154458216 779858970 /nfs/dbraw/zinc/85/89/70/779858970.db2.gz YGRSQHMPCUZKGT-UHFFFAOYSA-N 1 2 270.297 -2.526 20 0 CAADLO CC[N@H+](CCO)CCS(=O)(=O)CCC(N)=O ZINC000050499215 779862373 /nfs/dbraw/zinc/86/23/73/779862373.db2.gz JUXOOCVPMUNYRA-UHFFFAOYSA-N 1 2 252.336 -1.409 20 0 CAADLO CC[N@@H+](CCO)CCS(=O)(=O)CCC(N)=O ZINC000050499215 779862380 /nfs/dbraw/zinc/86/23/80/779862380.db2.gz JUXOOCVPMUNYRA-UHFFFAOYSA-N 1 2 252.336 -1.409 20 0 CAADLO Cn1cc(C(=O)NCCC[NH2+]Cc2nnn(C)n2)cn1 ZINC001154510103 779862450 /nfs/dbraw/zinc/86/24/50/779862450.db2.gz FLFLTEWDAVNAJQ-UHFFFAOYSA-N 1 2 278.320 -1.147 20 0 CAADLO Cn1cc[nH+]c1CCNC(=O)[C@H](CO)NC(N)=O ZINC001154598257 779862683 /nfs/dbraw/zinc/86/26/83/779862683.db2.gz ALDATLVOLJKKLL-ZETCQYMHSA-N 1 2 255.278 -1.892 20 0 CAADLO Cn1cc[nH+]c1CCNC(=O)[C@@H](CO)NC(N)=O ZINC001154598256 779862733 /nfs/dbraw/zinc/86/27/33/779862733.db2.gz ALDATLVOLJKKLL-SSDOTTSWSA-N 1 2 255.278 -1.892 20 0 CAADLO CC(=O)N(C)CC(=O)NCCC[NH2+]Cc1nnn(C)n1 ZINC001154819025 779865140 /nfs/dbraw/zinc/86/51/40/779865140.db2.gz CLZPYJKEUKLIAD-UHFFFAOYSA-N 1 2 283.336 -1.716 20 0 CAADLO CC[N@H+](Cc1nc(=O)n(C)[nH]1)[C@H](C)CNC(=O)C(N)=O ZINC001154945080 779866974 /nfs/dbraw/zinc/86/69/74/779866974.db2.gz ONSNLLJQJDWRKY-SSDOTTSWSA-N 1 2 284.320 -2.080 20 0 CAADLO CC[N@@H+](Cc1nc(=O)n(C)[nH]1)[C@H](C)CNC(=O)C(N)=O ZINC001154945080 779866977 /nfs/dbraw/zinc/86/69/77/779866977.db2.gz ONSNLLJQJDWRKY-SSDOTTSWSA-N 1 2 284.320 -2.080 20 0 CAADLO Cn1nnc(C[NH2+]CCCNC(=O)CNC(=O)C2CC2)n1 ZINC001155036394 779868410 /nfs/dbraw/zinc/86/84/10/779868410.db2.gz UFZUXSSOIFWGKO-UHFFFAOYSA-N 1 2 295.347 -1.668 20 0 CAADLO NC(=O)[C@@H]1CCCN1c1cc(NC[C@@H](O)CO)[nH+]cn1 ZINC001155649380 779874566 /nfs/dbraw/zinc/87/45/66/779874566.db2.gz DAEJLQNOAXCGKV-BDAKNGLRSA-N 1 2 281.316 -1.304 20 0 CAADLO NC(=O)[C@@H]1CCCN1c1cc(NC[C@@H](O)CO)nc[nH+]1 ZINC001155649380 779874573 /nfs/dbraw/zinc/87/45/73/779874573.db2.gz DAEJLQNOAXCGKV-BDAKNGLRSA-N 1 2 281.316 -1.304 20 0 CAADLO NC(=O)[C@H]1CCCN1c1cc(NC[C@@H](O)CO)[nH+]cn1 ZINC001155649381 779875175 /nfs/dbraw/zinc/87/51/75/779875175.db2.gz DAEJLQNOAXCGKV-RKDXNWHRSA-N 1 2 281.316 -1.304 20 0 CAADLO NC(=O)[C@H]1CCCN1c1cc(NC[C@@H](O)CO)nc[nH+]1 ZINC001155649381 779875178 /nfs/dbraw/zinc/87/51/78/779875178.db2.gz DAEJLQNOAXCGKV-RKDXNWHRSA-N 1 2 281.316 -1.304 20 0 CAADLO O=C(/C=C\C[NH+]1CCOCC1)N[C@H]1C[C@@H](O)[C@@H](O)C1 ZINC001155985700 779880081 /nfs/dbraw/zinc/88/00/81/779880081.db2.gz XVVCHLLNVGHXPT-DJJLKBSGSA-N 1 2 270.329 -1.125 20 0 CAADLO CC[N@H+](CC(=O)NC)[C@H](C)CNC(=O)Cc1nnc[nH]1 ZINC001156289154 779884283 /nfs/dbraw/zinc/88/42/83/779884283.db2.gz NEQBDUBSENMLTO-SECBINFHSA-N 1 2 282.348 -1.080 20 0 CAADLO CC[N@@H+](CC(=O)NC)[C@H](C)CNC(=O)Cc1nnc[nH]1 ZINC001156289154 779884288 /nfs/dbraw/zinc/88/42/88/779884288.db2.gz NEQBDUBSENMLTO-SECBINFHSA-N 1 2 282.348 -1.080 20 0 CAADLO Cn1nnc(C[NH2+]CCCNC(=O)CCc2nnc[nH]2)n1 ZINC001156328562 779885066 /nfs/dbraw/zinc/88/50/66/779885066.db2.gz YCVMHXAIWVPSBK-UHFFFAOYSA-N 1 2 293.335 -1.443 20 0 CAADLO Cn1nnc(C[NH2+]CCCNC(=O)C[C@@H]2COC(=O)C2)n1 ZINC001156578368 779886981 /nfs/dbraw/zinc/88/69/81/779886981.db2.gz DRMRKKUAJGTYIA-VIFPVBQESA-N 1 2 296.331 -1.241 20 0 CAADLO CNC(=O)CC(=O)NCCC[NH2+]Cc1nnn(C)n1 ZINC001156996124 779892673 /nfs/dbraw/zinc/89/26/73/779892673.db2.gz PTAILQPCUXABKS-UHFFFAOYSA-N 1 2 269.309 -2.058 20 0 CAADLO Cn1nnc(C[NH2+]CCCNC(=O)CCn2ccnn2)n1 ZINC001157101134 779895844 /nfs/dbraw/zinc/89/58/44/779895844.db2.gz ZXWWZKIOPXUUBW-UHFFFAOYSA-N 1 2 293.335 -1.512 20 0 CAADLO CC(=O)N1CC(C(=O)NCCC[NH2+]Cc2nnn(C)n2)C1 ZINC001157116852 779896143 /nfs/dbraw/zinc/89/61/43/779896143.db2.gz RBMGPRXCPMWAGV-UHFFFAOYSA-N 1 2 295.347 -1.716 20 0 CAADLO Cn1nnc(C[NH2+]CCCNC(=O)Cc2ccnn2C)n1 ZINC001157220603 779898015 /nfs/dbraw/zinc/89/80/15/779898015.db2.gz WPVPXYWRZBHINK-UHFFFAOYSA-N 1 2 292.347 -1.218 20 0 CAADLO Cn1nnc(C[NH2+]CCCNC(=O)[C@@H]2COC(=O)N2)n1 ZINC001157360153 779900920 /nfs/dbraw/zinc/90/09/20/779900920.db2.gz FQJQCJDBBGKSQE-ZETCQYMHSA-N 1 2 283.292 -2.086 20 0 CAADLO COC(=O)[C@@H]([NH3+])CC(=O)N1CCN(C(=O)OC)CC1 ZINC001157507514 779906831 /nfs/dbraw/zinc/90/68/31/779906831.db2.gz JABKGPZLGRCQMC-QMMMGPOBSA-N 1 2 273.289 -1.213 20 0 CAADLO [NH3+][C@@H](Cc1nn[nH]n1)C(=O)N1CC(N2CC(F)C2)C1 ZINC001157525404 779907852 /nfs/dbraw/zinc/90/78/52/779907852.db2.gz BUYFPZAIEXOWKG-QMMMGPOBSA-N 1 2 269.284 -2.066 20 0 CAADLO Cc1nnc(CC(=O)NCCC[NH2+]Cc2nnn(C)n2)[nH]1 ZINC001157737031 779911803 /nfs/dbraw/zinc/91/18/03/779911803.db2.gz RVURIQIKDCSXKI-UHFFFAOYSA-N 1 2 293.335 -1.525 20 0 CAADLO [NH3+][C@@H](Cc1nn[nH]n1)C(=O)N1C[C@H](CO)C[C@H](F)C1 ZINC001157729063 779912827 /nfs/dbraw/zinc/91/28/27/779912827.db2.gz CGTKEJYTFJRXCQ-CSMHCCOUSA-N 1 2 272.284 -1.752 20 0 CAADLO [NH3+][C@@H](Cc1nn[nH]n1)C(=O)N1CCC[C@@](O)(CF)CC1 ZINC001157781206 779913681 /nfs/dbraw/zinc/91/36/81/779913681.db2.gz MPHQVJHHKPLNJS-KWQFWETISA-N 1 2 286.311 -1.217 20 0 CAADLO COC(=O)[C@H]1C[N@H+](C)CCN1c1nccc(C(N)=O)n1 ZINC001157770314 779913971 /nfs/dbraw/zinc/91/39/71/779913971.db2.gz HMDJWLFZSVWNJQ-SECBINFHSA-N 1 2 279.300 -1.131 20 0 CAADLO COC(=O)[C@H]1C[N@@H+](C)CCN1c1nccc(C(N)=O)n1 ZINC001157770314 779913975 /nfs/dbraw/zinc/91/39/75/779913975.db2.gz HMDJWLFZSVWNJQ-SECBINFHSA-N 1 2 279.300 -1.131 20 0 CAADLO COC(=O)[C@@H]1C[N@H+](C)CCN1c1nccc(C(N)=O)n1 ZINC001157770315 779914143 /nfs/dbraw/zinc/91/41/43/779914143.db2.gz HMDJWLFZSVWNJQ-VIFPVBQESA-N 1 2 279.300 -1.131 20 0 CAADLO COC(=O)[C@@H]1C[N@@H+](C)CCN1c1nccc(C(N)=O)n1 ZINC001157770315 779914148 /nfs/dbraw/zinc/91/41/48/779914148.db2.gz HMDJWLFZSVWNJQ-VIFPVBQESA-N 1 2 279.300 -1.131 20 0 CAADLO C[C@@]1(O)CCN(C(=O)[C@@H]([NH3+])Cc2nn[nH]n2)C[C@@H]1F ZINC001157891224 779916628 /nfs/dbraw/zinc/91/66/28/779916628.db2.gz VXLLETHVWQBQFC-MHYGZLNHSA-N 1 2 272.284 -1.609 20 0 CAADLO C[C@H]1CC[C@@H](CO)N1C(=O)[C@@H]([NH3+])Cc1nn[nH]n1 ZINC001157913790 779917649 /nfs/dbraw/zinc/91/76/49/779917649.db2.gz APQRODQCMVFLNN-FXQIFTODSA-N 1 2 254.294 -1.559 20 0 CAADLO COC(=O)[C@@H]([NH3+])CC(=O)N1CC[C@@H](O)[C@H](CO)C1 ZINC001157935010 779918818 /nfs/dbraw/zinc/91/88/18/779918818.db2.gz QAVCUUJLQMCSLE-XHNCKOQMSA-N 1 2 260.290 -1.922 20 0 CAADLO C[C@H]1C(=O)Nc2cnc(-n3[nH]c(=O)nc3C[NH3+])nc2N1C ZINC001157933551 779919005 /nfs/dbraw/zinc/91/90/05/779919005.db2.gz FDIPCIIDUNSSEC-YFKPBYRVSA-N 1 2 290.287 -1.002 20 0 CAADLO [NH3+][C@@H](Cc1nn[nH]n1)C(=O)N1CCC[C@](F)(CO)CC1 ZINC001157935317 779919018 /nfs/dbraw/zinc/91/90/18/779919018.db2.gz UAPYLLRGUSCGOZ-GZMMTYOYSA-N 1 2 286.311 -1.217 20 0 CAADLO CN(C)C(=O)c1cncc(-n2[nH]c(=O)nc2C[NH3+])n1 ZINC001157940833 779920235 /nfs/dbraw/zinc/92/02/35/779920235.db2.gz JCFHJRGQIQTUBB-UHFFFAOYSA-N 1 2 263.261 -1.077 20 0 CAADLO COC(=O)[C@@H]([NH3+])CC(=O)N1CC[C@@H](O)[C@@](C)(CO)C1 ZINC001157947618 779921372 /nfs/dbraw/zinc/92/13/72/779921372.db2.gz VUAFPNYNWRNLOI-YGOYTEALSA-N 1 2 274.317 -1.531 20 0 CAADLO CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)C[C@H](N)C(=O)OC ZINC001158000736 779923125 /nfs/dbraw/zinc/92/31/25/779923125.db2.gz ZDLCYEFUXLEGGC-IUCAKERBSA-N 1 2 287.316 -1.760 20 0 CAADLO CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)[C@@H]1CNC(=O)N1 ZINC001157997646 779923712 /nfs/dbraw/zinc/92/37/12/779923712.db2.gz BIDMMPRPJSCMML-JGVFFNPUSA-N 1 2 270.289 -1.969 20 0 CAADLO CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)C1(F)CNC1 ZINC001157998442 779924013 /nfs/dbraw/zinc/92/40/13/779924013.db2.gz FNHKBADDTOAIFV-QMMMGPOBSA-N 1 2 259.281 -1.339 20 0 CAADLO CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)c1nc(N)cn1C ZINC001158005881 779925180 /nfs/dbraw/zinc/92/51/80/779925180.db2.gz DTWIANKAPZPJDD-MRVPVSSYSA-N 1 2 281.316 -1.021 20 0 CAADLO COC(=O)[C@@H]1C[C@@H](Nc2nccc(C(N)=O)n2)C[NH2+]1 ZINC001158254412 779931445 /nfs/dbraw/zinc/93/14/45/779931445.db2.gz QQKBGOVKUKSPNG-SVRRBLITSA-N 1 2 265.273 -1.109 20 0 CAADLO O=C(NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)C1(O)COC1 ZINC001158256235 779932439 /nfs/dbraw/zinc/93/24/39/779932439.db2.gz FQIGYDPFNVFNHJ-AOOOYVTPSA-N 1 2 256.302 -1.273 20 0 CAADLO O=C(NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)C1(O)COC1 ZINC001158256235 779932441 /nfs/dbraw/zinc/93/24/41/779932441.db2.gz FQIGYDPFNVFNHJ-AOOOYVTPSA-N 1 2 256.302 -1.273 20 0 CAADLO NC(=O)[C@H](CO)Nc1cc(N2CCOCC2)nc[nH+]1 ZINC001158436744 779934679 /nfs/dbraw/zinc/93/46/79/779934679.db2.gz KHFIEIQPIKZQOT-QMMMGPOBSA-N 1 2 267.289 -1.429 20 0 CAADLO NC(=O)[C@H](CO)Nc1cc(N2CCOCC2)[nH+]cn1 ZINC001158436744 779934687 /nfs/dbraw/zinc/93/46/87/779934687.db2.gz KHFIEIQPIKZQOT-QMMMGPOBSA-N 1 2 267.289 -1.429 20 0 CAADLO Cn1nnc(C[NH2+]CCCNC(=O)[C@]23C[C@H]2COC3)n1 ZINC001158450085 779935730 /nfs/dbraw/zinc/93/57/30/779935730.db2.gz PIFKQFDAMMIXKA-CABZTGNLSA-N 1 2 280.332 -1.158 20 0 CAADLO Cn1nnc(C[NH2+]CCCNC(=O)Cn2nccn2)n1 ZINC001158921334 779941319 /nfs/dbraw/zinc/94/13/19/779941319.db2.gz GNHMREYLSDFKTR-UHFFFAOYSA-N 1 2 279.308 -1.902 20 0 CAADLO COCc1n[nH]c2c1CN(C(=O)[C@@H]([NH3+])Cc1nn[nH]n1)C2 ZINC001159091595 779943533 /nfs/dbraw/zinc/94/35/33/779943533.db2.gz SIXIDDSHVLAPSR-ZETCQYMHSA-N 1 2 292.303 -1.519 20 0 CAADLO Cn1nnc(C[NH2+]CCCNC(=O)[C@H]2CCCNC2=O)n1 ZINC001160434606 779959495 /nfs/dbraw/zinc/95/94/95/779959495.db2.gz SQIKMDLAAYSFFX-VIFPVBQESA-N 1 2 295.347 -1.668 20 0 CAADLO C[C@H]1C(=O)NCCN1C(=O)[C@@H]([NH3+])Cc1nn[nH]n1 ZINC001160452008 779960984 /nfs/dbraw/zinc/96/09/84/779960984.db2.gz WRJYYDMKOYZPBJ-WDSKDSINSA-N 1 2 253.266 -2.584 20 0 CAADLO [NH3+][C@@H](Cc1nn[nH]n1)C(=O)N1CCn2cccc2C1 ZINC001160477421 779962810 /nfs/dbraw/zinc/96/28/10/779962810.db2.gz ZMWBFAFACIWOCQ-VIFPVBQESA-N 1 2 261.289 -1.087 20 0 CAADLO CC1(C)C(=O)NCCN1C(=O)[C@@H]([NH3+])Cc1nn[nH]n1 ZINC001160477310 779962949 /nfs/dbraw/zinc/96/29/49/779962949.db2.gz WMWPQEBMNXPSLA-LURJTMIESA-N 1 2 267.293 -2.194 20 0 CAADLO Cc1[nH]c(=O)[nH]c1C(=O)NCCC[NH2+]Cc1nnn(C)n1 ZINC001160515997 779963885 /nfs/dbraw/zinc/96/38/85/779963885.db2.gz GLAFTAVQPAJEDK-UHFFFAOYSA-N 1 2 294.319 -1.143 20 0 CAADLO Cn1nnc(C[NH2+]CCCNC(=O)c2cn[nH]c(=O)c2)n1 ZINC001160499598 779964162 /nfs/dbraw/zinc/96/41/62/779964162.db2.gz GIZFYEIPVCWQGF-UHFFFAOYSA-N 1 2 292.303 -1.385 20 0 CAADLO CN(CC1(C)COC1)C(=O)[C@@H]([NH3+])Cc1nn[nH]n1 ZINC001160543726 779964941 /nfs/dbraw/zinc/96/49/41/779964941.db2.gz BVFVDIRQSJZSDI-ZETCQYMHSA-N 1 2 254.294 -1.436 20 0 CAADLO NC(=O)[C@@H]1CCN(C(=O)[C@@H]([NH3+])Cc2nn[nH]n2)C1 ZINC001160549795 779967027 /nfs/dbraw/zinc/96/70/27/779967027.db2.gz YXKZHMVBICKBGY-RITPCOANSA-N 1 2 253.266 -2.597 20 0 CAADLO [NH3+][C@@H](Cc1nn[nH]n1)C(=O)N1CCC2(CCC(=O)O2)CC1 ZINC001160575760 779967370 /nfs/dbraw/zinc/96/73/70/779967370.db2.gz HWFOGLUCPREOFY-QMMMGPOBSA-N 1 2 294.315 -1.232 20 0 CAADLO CCOC(=O)[C@@H]1CN(C(=O)C[C@H]([NH3+])C(=O)OC)CCO1 ZINC001160596626 779968219 /nfs/dbraw/zinc/96/82/19/779968219.db2.gz JQUQHKWTQKRYNN-IUCAKERBSA-N 1 2 288.300 -1.333 20 0 CAADLO [NH3+][C@@H](Cc1nn[nH]n1)C(=O)N1CCN(CCF)CC1 ZINC001160628244 779969232 /nfs/dbraw/zinc/96/92/32/779969232.db2.gz AUVLMOPYFOKDDI-QMMMGPOBSA-N 1 2 271.300 -1.817 20 0 CAADLO COC(=O)[C@]1(C)CCCN(C(=O)[C@@H]([NH3+])Cc2nn[nH]n2)C1 ZINC001160634788 779969731 /nfs/dbraw/zinc/96/97/31/779969731.db2.gz DPQAPMWICJXNOC-QPUJVOFHSA-N 1 2 296.331 -1.129 20 0 CAADLO [NH3+][C@@H](Cc1nn[nH]n1)C(=O)N1CCC[C@@H](n2cncn2)C1 ZINC001160636043 779969913 /nfs/dbraw/zinc/96/99/13/779969913.db2.gz FOPSQXDNRIBSIT-BDAKNGLRSA-N 1 2 291.319 -1.475 20 0 CAADLO O=C([C@@H]1COCC[NH2+]1)N1CCN(C2CCOCC2)C(=O)C1 ZINC001160638516 779971096 /nfs/dbraw/zinc/97/10/96/779971096.db2.gz VQDVMPWCVWQWNN-LBPRGKRZSA-N 1 2 297.355 -1.175 20 0 CAADLO COC(=O)[C@@H]([NH3+])CC(=O)N1CCC2(CC1)CNC(=O)CO2 ZINC001160771894 779980156 /nfs/dbraw/zinc/98/01/56/779980156.db2.gz IRGGUGGFZFZWQB-VIFPVBQESA-N 1 2 299.327 -1.616 20 0 CAADLO [NH3+][C@@H](Cc1nn[nH]n1)C(=O)N1CCN2C(=O)COC[C@@H]2C1 ZINC001160790262 779980877 /nfs/dbraw/zinc/98/08/77/779980877.db2.gz MLCLOVDEOKYEBZ-YUMQZZPRSA-N 1 2 295.303 -2.861 20 0 CAADLO COC(=O)[C@@H]([NH3+])CC(=O)N1CCN2C(=O)COC[C@@H]2C1 ZINC001160790025 779981199 /nfs/dbraw/zinc/98/11/99/779981199.db2.gz IJGCXLZWJLXEKC-IUCAKERBSA-N 1 2 285.300 -2.054 20 0 CAADLO COC(=O)[C@H]1CN(C(=O)[C@@H]([NH3+])Cc2nn[nH]n2)CCN1C ZINC001160871315 779985552 /nfs/dbraw/zinc/98/55/52/779985552.db2.gz UQXMKGAMWVXTFA-JGVFFNPUSA-N 1 2 297.319 -2.615 20 0 CAADLO [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC(O)([C@H]2CCCC[NH2+]2)C1 ZINC001161000327 779989338 /nfs/dbraw/zinc/98/93/38/779989338.db2.gz RWZPYMOROWQLSH-VXGBXAGGSA-N 1 2 293.371 -1.005 20 0 CAADLO NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])Cc1nn[nH]n1 ZINC001161031368 779990516 /nfs/dbraw/zinc/99/05/16/779990516.db2.gz CDDYJZXPUHIDPJ-WDSKDSINSA-N 1 2 253.266 -2.454 20 0 CAADLO CC(C)OC1CN(C(=O)[C@@H]([NH3+])Cc2nn[nH]n2)C1 ZINC001161011432 779990851 /nfs/dbraw/zinc/99/08/51/779990851.db2.gz UMFAOKJJXYKKIJ-QMMMGPOBSA-N 1 2 254.294 -1.295 20 0 CAADLO CCn1nnc2c1[C@H](C(=O)N(C)CCO)C[NH2+]C2 ZINC001161105202 779995371 /nfs/dbraw/zinc/99/53/71/779995371.db2.gz JAUIMNBMYLOQJG-MRVPVSSYSA-N 1 2 253.306 -1.065 20 0 CAADLO CCn1nnc2c1[C@@H](C(=O)N(C)CCO)C[NH2+]C2 ZINC001161105203 779995902 /nfs/dbraw/zinc/99/59/02/779995902.db2.gz JAUIMNBMYLOQJG-QMMMGPOBSA-N 1 2 253.306 -1.065 20 0 CAADLO [NH3+][C@@H](Cc1nn[nH]n1)C(=O)N1CCc2[nH]ccc2C1 ZINC001161135129 779997809 /nfs/dbraw/zinc/99/78/09/779997809.db2.gz UALINQODHOPYAE-QMMMGPOBSA-N 1 2 261.289 -1.018 20 0 CAADLO COC(=O)[C@@H](N)CC(=O)N1CC[C@]([NH3+])(C(=O)OC)C1 ZINC001161138758 779997875 /nfs/dbraw/zinc/99/78/75/779997875.db2.gz YHNSVDFVMJKFJX-WRWORJQWSA-N 1 2 273.289 -2.020 20 0 CAADLO COC(=O)[C@]1([NH3+])CCN(C(=O)[C@H](N)C(F)(F)F)C1 ZINC001161137451 779997883 /nfs/dbraw/zinc/99/78/83/779997883.db2.gz DYMMDFVRKGIFPY-XNCJUZBTSA-N 1 2 269.223 -1.021 20 0 CAADLO COC(=O)[C@@H](N)CC(=O)N1CC[C@@]([NH3+])(C(=O)OC)C1 ZINC001161138757 779999007 /nfs/dbraw/zinc/99/90/07/779999007.db2.gz YHNSVDFVMJKFJX-CPCISQLKSA-N 1 2 273.289 -2.020 20 0 CAADLO COC(=O)[C@@H]([NH3+])CC(=O)N1Cc2ccnn2CC[C@H]1CO ZINC001161171534 780000050 /nfs/dbraw/zinc/00/00/50/780000050.db2.gz POQLAPLXRPKYQV-QWRGUYRKSA-N 1 2 296.327 -1.133 20 0 CAADLO COC(=O)[C@@H]1C[N@H+](C)CCN1C(=O)[C@@H]1CNC(=O)N1 ZINC001161237224 780002551 /nfs/dbraw/zinc/00/25/51/780002551.db2.gz JLLLFQIYZUVCTD-YUMQZZPRSA-N 1 2 270.289 -2.017 20 0 CAADLO COC(=O)[C@@H]1C[N@@H+](C)CCN1C(=O)[C@@H]1CNC(=O)N1 ZINC001161237224 780002561 /nfs/dbraw/zinc/00/25/61/780002561.db2.gz JLLLFQIYZUVCTD-YUMQZZPRSA-N 1 2 270.289 -2.017 20 0 CAADLO COC(=O)[C@@H](N)CC(=O)N1CC[N@H+](C)C[C@H]1C(=O)OC ZINC001161237795 780003701 /nfs/dbraw/zinc/00/37/01/780003701.db2.gz OKBANBMZUSFZTG-IUCAKERBSA-N 1 2 287.316 -1.808 20 0 CAADLO COC(=O)[C@@H](N)CC(=O)N1CC[N@@H+](C)C[C@H]1C(=O)OC ZINC001161237795 780003714 /nfs/dbraw/zinc/00/37/14/780003714.db2.gz OKBANBMZUSFZTG-IUCAKERBSA-N 1 2 287.316 -1.808 20 0 CAADLO COC(=O)[C@H]1C[N@H+](C)CCN1C(=O)[C@@H]1CNC(=O)N1 ZINC001161237223 780003804 /nfs/dbraw/zinc/00/38/04/780003804.db2.gz JLLLFQIYZUVCTD-JGVFFNPUSA-N 1 2 270.289 -2.017 20 0 CAADLO COC(=O)[C@H]1C[N@@H+](C)CCN1C(=O)[C@@H]1CNC(=O)N1 ZINC001161237223 780003809 /nfs/dbraw/zinc/00/38/09/780003809.db2.gz JLLLFQIYZUVCTD-JGVFFNPUSA-N 1 2 270.289 -2.017 20 0 CAADLO [NH3+][C@@H](Cc1nn[nH]n1)C(=O)N1CCC[C@H](n2ccnn2)C1 ZINC001161234372 780004221 /nfs/dbraw/zinc/00/42/21/780004221.db2.gz BUXFOJJHLDCQSC-IUCAKERBSA-N 1 2 291.319 -1.475 20 0 CAADLO CNC(=O)NC1CCN(C(=O)[C@@H]([NH3+])Cc2nn[nH]n2)CC1 ZINC001161269201 780005396 /nfs/dbraw/zinc/00/53/96/780005396.db2.gz SNPYQHQDXGGIKQ-QMMMGPOBSA-N 1 2 296.335 -2.011 20 0 CAADLO NC(=O)CN1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1=O ZINC001161393278 780011071 /nfs/dbraw/zinc/01/10/71/780011071.db2.gz OGWXHLNDCBZPEU-UHFFFAOYSA-N 1 2 265.273 -1.892 20 0 CAADLO [NH3+][C@@H](Cc1nnn[n-]1)C(=O)N1CC[N@@H+]2CC[C@H]2C1 ZINC001161420047 780011412 /nfs/dbraw/zinc/01/14/12/780011412.db2.gz CYPBKQJVFYRUPV-YUMQZZPRSA-N 1 2 251.294 -2.014 20 0 CAADLO [NH3+][C@@H](Cc1nnn[n-]1)C(=O)N1CC[N@H+]2CC[C@H]2C1 ZINC001161420047 780011424 /nfs/dbraw/zinc/01/14/24/780011424.db2.gz CYPBKQJVFYRUPV-YUMQZZPRSA-N 1 2 251.294 -2.014 20 0 CAADLO [NH3+][C@@H](Cc1nn[nH]n1)C(=O)N1CC(=O)NC2(CCCC2)C1 ZINC001161417879 780012977 /nfs/dbraw/zinc/01/29/77/780012977.db2.gz YTKGQHFGHYEAAD-QMMMGPOBSA-N 1 2 293.331 -1.659 20 0 CAADLO Cc1nc2c(o1)CCN(C(=O)[C@@H]([NH3+])Cc1nn[nH]n1)C2 ZINC001161522932 780020848 /nfs/dbraw/zinc/02/08/48/780020848.db2.gz IMLAYRXTVMGMTC-ZETCQYMHSA-N 1 2 277.288 -1.049 20 0 CAADLO NC(=O)C[N@H+]1CC=C(CCNC(=O)Cc2nnc[nH]2)CC1 ZINC001161683028 780026209 /nfs/dbraw/zinc/02/62/09/780026209.db2.gz IWOPQIZXLJHOCB-UHFFFAOYSA-N 1 2 292.343 -1.029 20 0 CAADLO NC(=O)C[N@@H+]1CC=C(CCNC(=O)Cc2nnc[nH]2)CC1 ZINC001161683028 780026213 /nfs/dbraw/zinc/02/62/13/780026213.db2.gz IWOPQIZXLJHOCB-UHFFFAOYSA-N 1 2 292.343 -1.029 20 0 CAADLO C[C@@H](O)[C@@H](CO)Nc1cc(N2CCN(C)C(=O)C2)nc[nH+]1 ZINC001161776596 780027023 /nfs/dbraw/zinc/02/70/23/780027023.db2.gz XPCXSLYDSYTYNV-NXEZZACHSA-N 1 2 295.343 -1.091 20 0 CAADLO C[C@@H](O)[C@@H](CO)Nc1cc(N2CCN(C)C(=O)C2)[nH+]cn1 ZINC001161776596 780027030 /nfs/dbraw/zinc/02/70/30/780027030.db2.gz XPCXSLYDSYTYNV-NXEZZACHSA-N 1 2 295.343 -1.091 20 0 CAADLO CCOC(=O)[C@H]([NH3+])CNc1nccc(C(N)=O)n1 ZINC001161945619 780029345 /nfs/dbraw/zinc/02/93/45/780029345.db2.gz LPJYDPLGXCOEDR-ZCFIWIBFSA-N 1 2 253.262 -1.122 20 0 CAADLO CS(=O)(=O)c1cccnc1N1CN[C@H]([NH3+])[C@H]2NCN[C@H]21 ZINC001162438019 780038802 /nfs/dbraw/zinc/03/88/02/780038802.db2.gz FHPXFYWUNUAHKV-YWVKMMECSA-N 1 2 298.372 -2.018 20 0 CAADLO CS(=O)(=O)c1ccc(N2CN[C@H]([NH3+])[C@H]3NCN[C@@H]32)nc1 ZINC001162443866 780047708 /nfs/dbraw/zinc/04/77/08/780047708.db2.gz ABYRGEHVFRHTLM-OUAUKWLOSA-N 1 2 298.372 -2.018 20 0 CAADLO Cc1nc2cnc(N3CN[C@H]([NH3+])[C@H]4NCN[C@@H]43)nc2[nH]1 ZINC001162446526 780049457 /nfs/dbraw/zinc/04/94/57/780049457.db2.gz IUSOCEVYOZOTGM-KHQFGBGNSA-N 1 2 275.320 -1.890 20 0 CAADLO Cc1nc2cnc(N3CN[C@H]([NH3+])[C@@H]4NCN[C@@H]43)nc2[nH]1 ZINC001162446529 780050373 /nfs/dbraw/zinc/05/03/73/780050373.db2.gz IUSOCEVYOZOTGM-OYNCUSHFSA-N 1 2 275.320 -1.890 20 0 CAADLO Cn1nnc(C[NH2+]CCCNC(=O)[C@@]2(C)CNC(=O)C2)n1 ZINC001163087634 780055301 /nfs/dbraw/zinc/05/53/01/780055301.db2.gz AAVFBARKXRDMNF-GFCCVEGCSA-N 1 2 295.347 -1.668 20 0 CAADLO Cc1nn[nH]c1C(=O)NCCC[NH2+]Cc1nnn(C)n1 ZINC001163740227 780060868 /nfs/dbraw/zinc/06/08/68/780060868.db2.gz PHOCQJHZHQGPLB-UHFFFAOYSA-N 1 2 279.308 -1.454 20 0 CAADLO C[C@H](CC(N)=O)C(=O)NCCC[NH2+]Cc1nnn(C)n1 ZINC001163912012 780063400 /nfs/dbraw/zinc/06/34/00/780063400.db2.gz BCQJFAKMYJDHPV-MRVPVSSYSA-N 1 2 283.336 -1.683 20 0 CAADLO Cn1nnc(C[NH2+]CCCNC(=O)[C@H]2CC[C@@H]2C(N)=O)n1 ZINC001163922379 780064818 /nfs/dbraw/zinc/06/48/18/780064818.db2.gz FCAVJDLPSCHDRJ-IUCAKERBSA-N 1 2 295.347 -1.683 20 0 CAADLO Cn1nnc(C[NH2+]CCCNC(=O)c2c[nH]c(=O)n2C)n1 ZINC001163935059 780065911 /nfs/dbraw/zinc/06/59/11/780065911.db2.gz ZHNQFQOPYUHSNR-UHFFFAOYSA-N 1 2 294.319 -1.441 20 0 CAADLO Cn1nnc(C[NH2+]CCCNC(=O)[C@@H]2CCNC2=O)n1 ZINC001163944555 780067755 /nfs/dbraw/zinc/06/77/55/780067755.db2.gz YHHZGSPFIZVRAC-QMMMGPOBSA-N 1 2 281.320 -2.058 20 0 CAADLO C[N@@H+](CCOCCO)Cc1cn(CC(N)=O)nn1 ZINC001205531108 780105058 /nfs/dbraw/zinc/10/50/58/780105058.db2.gz XBHYYCJLGOJJID-UHFFFAOYSA-N 1 2 257.294 -1.796 20 0 CAADLO Cn1nnc(C[NH2+]CCCNC(=O)[C@H]2CNC(=O)N2)n1 ZINC001165467394 780080990 /nfs/dbraw/zinc/08/09/90/780080990.db2.gz MXRPWFVQBOIENX-SSDOTTSWSA-N 1 2 282.308 -2.513 20 0 CAADLO COC[C@H](OC)C(=O)NCCC[NH2+]Cc1nnn(C)n1 ZINC001166151209 780089695 /nfs/dbraw/zinc/08/96/95/780089695.db2.gz PGBAYHNLXJPLGA-VIFPVBQESA-N 1 2 286.336 -1.533 20 0 CAADLO Cc1nc2cnc(N3CC[NH2+][C@@H](C(N)=O)C3)nc2[nH]1 ZINC001166725429 780096066 /nfs/dbraw/zinc/09/60/66/780096066.db2.gz MKVMJYWFKUDHLN-MRVPVSSYSA-N 1 2 261.289 -1.124 20 0 CAADLO Cn1nnc(C[NH2+]CCCNC(=O)[C@H]2C[C@H]2C(N)=O)n1 ZINC001166806086 780097481 /nfs/dbraw/zinc/09/74/81/780097481.db2.gz WQIORDVAPMHLAU-SFYZADRCSA-N 1 2 281.320 -2.073 20 0 CAADLO CNC(=O)C[NH2+]C1CCN(C(=O)Cc2ncn[nH]2)CC1 ZINC001203277524 780100248 /nfs/dbraw/zinc/10/02/48/780100248.db2.gz GWAWNORUJBIOQK-UHFFFAOYSA-N 1 2 280.332 -1.326 20 0 CAADLO Cn1nnnc1C[NH2+]CCCNC(=O)CCc1cnn[nH]1 ZINC001166966532 780100545 /nfs/dbraw/zinc/10/05/45/780100545.db2.gz AXRVYOABMOENRD-UHFFFAOYSA-N 1 2 293.335 -1.443 20 0 CAADLO C[N@H+](CCOCCO)Cc1cn(CC(N)=O)nn1 ZINC001205531108 780105053 /nfs/dbraw/zinc/10/50/53/780105053.db2.gz XBHYYCJLGOJJID-UHFFFAOYSA-N 1 2 257.294 -1.796 20 0 CAADLO COCC(=O)N[C@@H]1C[N@H+](Cc2nc(=O)n(C)[nH]2)C[C@H]1C ZINC001205704415 780105838 /nfs/dbraw/zinc/10/58/38/780105838.db2.gz AZESGECPEHYVIZ-RKDXNWHRSA-N 1 2 283.332 -1.309 20 0 CAADLO COCC(=O)N[C@@H]1C[N@@H+](Cc2nc(=O)n(C)[nH]2)C[C@H]1C ZINC001205704415 780105843 /nfs/dbraw/zinc/10/58/43/780105843.db2.gz AZESGECPEHYVIZ-RKDXNWHRSA-N 1 2 283.332 -1.309 20 0 CAADLO CSCC(=O)N[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1C ZINC001205838809 780106493 /nfs/dbraw/zinc/10/64/93/780106493.db2.gz DYBSHTXWYDJILX-HTQZYQBOSA-N 1 2 288.373 -1.019 20 0 CAADLO CSCC(=O)N[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1C ZINC001205838809 780106495 /nfs/dbraw/zinc/10/64/95/780106495.db2.gz DYBSHTXWYDJILX-HTQZYQBOSA-N 1 2 288.373 -1.019 20 0 CAADLO C[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1NC(=O)C(F)F ZINC001205697742 780106686 /nfs/dbraw/zinc/10/66/86/780106686.db2.gz GRWKBEOBYGEWSC-PHDIDXHHSA-N 1 2 278.259 -1.117 20 0 CAADLO C[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1NC(=O)C(F)F ZINC001205697742 780106689 /nfs/dbraw/zinc/10/66/89/780106689.db2.gz GRWKBEOBYGEWSC-PHDIDXHHSA-N 1 2 278.259 -1.117 20 0 CAADLO C[C@@H]1C[N@H+](Cc2cn(C)nn2)C[C@H]1NC(=O)CNC(N)=O ZINC001205937551 780107589 /nfs/dbraw/zinc/10/75/89/780107589.db2.gz VYTQMBVGVBNKKU-PSASIEDQSA-N 1 2 295.347 -1.580 20 0 CAADLO C[C@@H]1C[N@@H+](Cc2cn(C)nn2)C[C@H]1NC(=O)CNC(N)=O ZINC001205937551 780107597 /nfs/dbraw/zinc/10/75/97/780107597.db2.gz VYTQMBVGVBNKKU-PSASIEDQSA-N 1 2 295.347 -1.580 20 0 CAADLO C[C@@H]1C[N@H+](CCCO)C[C@H]1NC(=O)CS(C)(=O)=O ZINC001206386680 780110691 /nfs/dbraw/zinc/11/06/91/780110691.db2.gz NJIIGVUYTNVHCZ-NXEZZACHSA-N 1 2 278.374 -1.150 20 0 CAADLO C[C@@H]1C[N@@H+](CCCO)C[C@H]1NC(=O)CS(C)(=O)=O ZINC001206386680 780110693 /nfs/dbraw/zinc/11/06/93/780110693.db2.gz NJIIGVUYTNVHCZ-NXEZZACHSA-N 1 2 278.374 -1.150 20 0 CAADLO C[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1NC(=O)c1cocn1 ZINC001206559336 780111020 /nfs/dbraw/zinc/11/10/20/780111020.db2.gz NPYFJCMSFUJZOE-HTQZYQBOSA-N 1 2 295.299 -1.080 20 0 CAADLO C[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1NC(=O)c1cocn1 ZINC001206559336 780111023 /nfs/dbraw/zinc/11/10/23/780111023.db2.gz NPYFJCMSFUJZOE-HTQZYQBOSA-N 1 2 295.299 -1.080 20 0 CAADLO C[C@@H]1C[N@H+](CCS(C)(=O)=O)C[C@H]1NC(=O)CC(N)=O ZINC001206746724 780112164 /nfs/dbraw/zinc/11/21/64/780112164.db2.gz PTLLXLQRKSLZGU-RKDXNWHRSA-N 1 2 291.373 -1.657 20 0 CAADLO C[C@@H]1C[N@@H+](CCS(C)(=O)=O)C[C@H]1NC(=O)CC(N)=O ZINC001206746724 780112171 /nfs/dbraw/zinc/11/21/71/780112171.db2.gz PTLLXLQRKSLZGU-RKDXNWHRSA-N 1 2 291.373 -1.657 20 0 CAADLO CC(C)[C@@H](O)C(=O)N[C@@H]1C[N@H+](CC(N)=O)C[C@H]1C ZINC001206929677 780113728 /nfs/dbraw/zinc/11/37/28/780113728.db2.gz WTHHIXRAHQGYKO-FXPVBKGRSA-N 1 2 257.334 -1.075 20 0 CAADLO CC(C)[C@@H](O)C(=O)N[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1C ZINC001206929677 780113730 /nfs/dbraw/zinc/11/37/30/780113730.db2.gz WTHHIXRAHQGYKO-FXPVBKGRSA-N 1 2 257.334 -1.075 20 0 CAADLO Cn1ncc(C[NH2+]CCS(=O)(=O)NC2CC2)n1 ZINC001207768787 780119948 /nfs/dbraw/zinc/11/99/48/780119948.db2.gz NGCLMVFQYSSCCU-UHFFFAOYSA-N 1 2 259.335 -1.014 20 0 CAADLO C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1NC(=O)C1(C(N)=O)CC1 ZINC001208461637 780126487 /nfs/dbraw/zinc/12/64/87/780126487.db2.gz WCVAUTMNABEEJQ-HTQZYQBOSA-N 1 2 268.317 -1.826 20 0 CAADLO C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1NC(=O)C1(C(N)=O)CC1 ZINC001208461637 780126491 /nfs/dbraw/zinc/12/64/91/780126491.db2.gz WCVAUTMNABEEJQ-HTQZYQBOSA-N 1 2 268.317 -1.826 20 0 CAADLO CC(C)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(N)=O)C1 ZINC001208450244 780126514 /nfs/dbraw/zinc/12/65/14/780126514.db2.gz QSKDBYDAOKJTBN-RKDXNWHRSA-N 1 2 270.333 -1.567 20 0 CAADLO CC(C)NC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C(N)=O)C1 ZINC001208450244 780126517 /nfs/dbraw/zinc/12/65/17/780126517.db2.gz QSKDBYDAOKJTBN-RKDXNWHRSA-N 1 2 270.333 -1.567 20 0 CAADLO CC(C)CNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(N)=O)C1 ZINC001208450374 780127024 /nfs/dbraw/zinc/12/70/24/780127024.db2.gz SQQRHEYLFAGORH-NXEZZACHSA-N 1 2 284.360 -1.320 20 0 CAADLO CC(C)CNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C(N)=O)C1 ZINC001208450374 780127028 /nfs/dbraw/zinc/12/70/28/780127028.db2.gz SQQRHEYLFAGORH-NXEZZACHSA-N 1 2 284.360 -1.320 20 0 CAADLO C[C@H](NC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(N)=O)C1)C1CC1 ZINC001208455519 780127071 /nfs/dbraw/zinc/12/70/71/780127071.db2.gz SRGDJQDXYQGWOT-WCABBAIRSA-N 1 2 296.371 -1.177 20 0 CAADLO C[C@H](NC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C(N)=O)C1)C1CC1 ZINC001208455519 780127078 /nfs/dbraw/zinc/12/70/78/780127078.db2.gz SRGDJQDXYQGWOT-WCABBAIRSA-N 1 2 296.371 -1.177 20 0 CAADLO C[C@@H]1C[N@H+](CC(=O)NC(C)(C)C)C[C@H]1NC(=O)C(N)=O ZINC001208479753 780128799 /nfs/dbraw/zinc/12/87/99/780128799.db2.gz OUWAJXDGCDIKPG-RKDXNWHRSA-N 1 2 284.360 -1.177 20 0 CAADLO C[C@@H]1C[N@@H+](CC(=O)NC(C)(C)C)C[C@H]1NC(=O)C(N)=O ZINC001208479753 780128804 /nfs/dbraw/zinc/12/88/04/780128804.db2.gz OUWAJXDGCDIKPG-RKDXNWHRSA-N 1 2 284.360 -1.177 20 0 CAADLO CC(C)NC(=O)C[N@@H+]1C[C@H](NC(=O)C(N)=O)C(C)(C)C1 ZINC001276608567 780131162 /nfs/dbraw/zinc/13/11/62/780131162.db2.gz SGWAUDBVRUCHBT-VIFPVBQESA-N 1 2 284.360 -1.177 20 0 CAADLO CC(C)NC(=O)C[N@H+]1C[C@H](NC(=O)C(N)=O)C(C)(C)C1 ZINC001276608567 780131169 /nfs/dbraw/zinc/13/11/69/780131169.db2.gz SGWAUDBVRUCHBT-VIFPVBQESA-N 1 2 284.360 -1.177 20 0 CAADLO CC1(O)C[NH+](C[C@@H]2OC(C)(C)O[C@@H]2[C@H](O)CO)C1 ZINC001209268207 780131212 /nfs/dbraw/zinc/13/12/12/780131212.db2.gz BRFMDHUVBFYMQV-KXUCPTDWSA-N 1 2 261.318 -1.074 20 0 CAADLO CN1CCN(C2CN(CC[NH+]3CCOCC3)C2)CC1=O ZINC001209294303 780131261 /nfs/dbraw/zinc/13/12/61/780131261.db2.gz AOVKLMLTIJZTTQ-UHFFFAOYSA-N 1 2 282.388 -1.223 20 0 CAADLO O=C1CN(C2CN(CC[NH+]3CCOCC3)C2)CCN1 ZINC001209295596 780131436 /nfs/dbraw/zinc/13/14/36/780131436.db2.gz ZEXKRFNXPXCJMJ-UHFFFAOYSA-N 1 2 268.361 -1.565 20 0 CAADLO CN(C)C(=O)C[N@H+](C)C[C@@H]1OC(C)(C)O[C@@H]1[C@H](O)CO ZINC001209275123 780131479 /nfs/dbraw/zinc/13/14/79/780131479.db2.gz RPRINJSVSCMWFF-JFGNBEQYSA-N 1 2 290.360 -1.120 20 0 CAADLO CN(C)C(=O)C[N@@H+](C)C[C@@H]1OC(C)(C)O[C@@H]1[C@H](O)CO ZINC001209275123 780131487 /nfs/dbraw/zinc/13/14/87/780131487.db2.gz RPRINJSVSCMWFF-JFGNBEQYSA-N 1 2 290.360 -1.120 20 0 CAADLO COCCO[C@H](C)C(=O)N[C@@H]1C[N@H+](CC(N)=O)C[C@H]1C ZINC001209106616 780131856 /nfs/dbraw/zinc/13/18/56/780131856.db2.gz KYMALINMGKLOIM-GMTAPVOTSA-N 1 2 287.360 -1.040 20 0 CAADLO COCCO[C@H](C)C(=O)N[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1C ZINC001209106616 780131860 /nfs/dbraw/zinc/13/18/60/780131860.db2.gz KYMALINMGKLOIM-GMTAPVOTSA-N 1 2 287.360 -1.040 20 0 CAADLO CC1(C)O[C@H]([C@H](O)CO)[C@H](C[N@@H+]2CCO[C@@H](CO)C2)O1 ZINC001209271103 780131871 /nfs/dbraw/zinc/13/18/71/780131871.db2.gz RFVNMMYHFPHBIB-WISYIIOYSA-N 1 2 291.344 -1.447 20 0 CAADLO CC1(C)O[C@H]([C@H](O)CO)[C@H](C[N@H+]2CCO[C@@H](CO)C2)O1 ZINC001209271103 780131875 /nfs/dbraw/zinc/13/18/75/780131875.db2.gz RFVNMMYHFPHBIB-WISYIIOYSA-N 1 2 291.344 -1.447 20 0 CAADLO CCNC(=O)C[N@H+](C)C[C@@H]1OC(C)(C)O[C@@H]1[C@H](O)CO ZINC001209268553 780131952 /nfs/dbraw/zinc/13/19/52/780131952.db2.gz LNFMRIWBFSJRDF-JFGNBEQYSA-N 1 2 290.360 -1.072 20 0 CAADLO CCNC(=O)C[N@@H+](C)C[C@@H]1OC(C)(C)O[C@@H]1[C@H](O)CO ZINC001209268553 780131955 /nfs/dbraw/zinc/13/19/55/780131955.db2.gz LNFMRIWBFSJRDF-JFGNBEQYSA-N 1 2 290.360 -1.072 20 0 CAADLO CC1(C)O[C@H]([C@H](O)CO)[C@H](C[N@@H+]2CCO[C@H](CO)C2)O1 ZINC001209271102 780132094 /nfs/dbraw/zinc/13/20/94/780132094.db2.gz RFVNMMYHFPHBIB-WHOHXGKFSA-N 1 2 291.344 -1.447 20 0 CAADLO CC1(C)O[C@H]([C@H](O)CO)[C@H](C[N@H+]2CCO[C@H](CO)C2)O1 ZINC001209271102 780132096 /nfs/dbraw/zinc/13/20/96/780132096.db2.gz RFVNMMYHFPHBIB-WHOHXGKFSA-N 1 2 291.344 -1.447 20 0 CAADLO C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1NC(=O)C(=O)NCC1CC1 ZINC001209816335 780137074 /nfs/dbraw/zinc/13/70/74/780137074.db2.gz WYNGLDWVTSGJIN-PSASIEDQSA-N 1 2 282.344 -1.566 20 0 CAADLO C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1NC(=O)C(=O)NCC1CC1 ZINC001209816335 780137077 /nfs/dbraw/zinc/13/70/77/780137077.db2.gz WYNGLDWVTSGJIN-PSASIEDQSA-N 1 2 282.344 -1.566 20 0 CAADLO C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1NC(=O)C1(C(=O)N(C)C)CC1 ZINC001210186024 780137106 /nfs/dbraw/zinc/13/71/06/780137106.db2.gz GKAPGXFOGDVMAY-NXEZZACHSA-N 1 2 296.371 -1.223 20 0 CAADLO C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1NC(=O)C1(C(=O)N(C)C)CC1 ZINC001210186024 780137111 /nfs/dbraw/zinc/13/71/11/780137111.db2.gz GKAPGXFOGDVMAY-NXEZZACHSA-N 1 2 296.371 -1.223 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(=O)NCC2CC2)C1 ZINC001209823417 780137121 /nfs/dbraw/zinc/13/71/21/780137121.db2.gz LDEYJADRAGFBLY-FXPVBKGRSA-N 1 2 296.371 -1.177 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1C[C@@H](C)[C@H](NC(=O)C(=O)NCC2CC2)C1 ZINC001209823417 780137124 /nfs/dbraw/zinc/13/71/24/780137124.db2.gz LDEYJADRAGFBLY-FXPVBKGRSA-N 1 2 296.371 -1.177 20 0 CAADLO CCS(=O)(=O)CC(=O)N[C@@H]1C[N@H+](CCO)C[C@H]1C ZINC001211349652 780142602 /nfs/dbraw/zinc/14/26/02/780142602.db2.gz IUDKZUXOQMWIOF-NXEZZACHSA-N 1 2 278.374 -1.150 20 0 CAADLO CCS(=O)(=O)CC(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1C ZINC001211349652 780142607 /nfs/dbraw/zinc/14/26/07/780142607.db2.gz IUDKZUXOQMWIOF-NXEZZACHSA-N 1 2 278.374 -1.150 20 0 CAADLO CNC(=O)NC(C)(C)C(=O)N[C@@H]1C[N@H+](CC(N)=O)C[C@H]1C ZINC001211326521 780143016 /nfs/dbraw/zinc/14/30/16/780143016.db2.gz QXDFTUUBSLLYCP-RKDXNWHRSA-N 1 2 299.375 -1.384 20 0 CAADLO CNC(=O)NC(C)(C)C(=O)N[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1C ZINC001211326521 780143020 /nfs/dbraw/zinc/14/30/20/780143020.db2.gz QXDFTUUBSLLYCP-RKDXNWHRSA-N 1 2 299.375 -1.384 20 0 CAADLO CO[C@@H]1C[N@H+](CCCO)C[C@H]1NC(=O)CCc1cnn[nH]1 ZINC001213467779 780144269 /nfs/dbraw/zinc/14/42/69/780144269.db2.gz JKLDYAJLMNABBJ-VXGBXAGGSA-N 1 2 297.359 -1.065 20 0 CAADLO CO[C@@H]1C[N@@H+](CCCO)C[C@H]1NC(=O)CCc1cnn[nH]1 ZINC001213467779 780144271 /nfs/dbraw/zinc/14/42/71/780144271.db2.gz JKLDYAJLMNABBJ-VXGBXAGGSA-N 1 2 297.359 -1.065 20 0 CAADLO CO[C@@H]1C[N@H+](C[C@@H](C)O)C[C@H]1NC(=O)CCc1cnn[nH]1 ZINC001213466520 780144528 /nfs/dbraw/zinc/14/45/28/780144528.db2.gz SOAGOBGOGCGEAL-YUSALJHKSA-N 1 2 297.359 -1.067 20 0 CAADLO CO[C@@H]1C[N@@H+](C[C@@H](C)O)C[C@H]1NC(=O)CCc1cnn[nH]1 ZINC001213466520 780144532 /nfs/dbraw/zinc/14/45/32/780144532.db2.gz SOAGOBGOGCGEAL-YUSALJHKSA-N 1 2 297.359 -1.067 20 0 CAADLO COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)c2ncn[nH]2)[C@H](OC)C1 ZINC001213593234 780145807 /nfs/dbraw/zinc/14/58/07/780145807.db2.gz QIZQQXKMAHBAMC-IVZWLZJFSA-N 1 2 299.331 -1.759 20 0 CAADLO COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)c2ncn[nH]2)[C@H](OC)C1 ZINC001213593234 780145812 /nfs/dbraw/zinc/14/58/12/780145812.db2.gz QIZQQXKMAHBAMC-IVZWLZJFSA-N 1 2 299.331 -1.759 20 0 CAADLO COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)c2nc[nH]n2)[C@H](OC)C1 ZINC001213593234 780145820 /nfs/dbraw/zinc/14/58/20/780145820.db2.gz QIZQQXKMAHBAMC-IVZWLZJFSA-N 1 2 299.331 -1.759 20 0 CAADLO COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)c2nc[nH]n2)[C@H](OC)C1 ZINC001213593234 780145827 /nfs/dbraw/zinc/14/58/27/780145827.db2.gz QIZQQXKMAHBAMC-IVZWLZJFSA-N 1 2 299.331 -1.759 20 0 CAADLO COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)c2ncn[nH]2)[C@H](OC)C1 ZINC001213593235 780145868 /nfs/dbraw/zinc/14/58/68/780145868.db2.gz QIZQQXKMAHBAMC-OPRDCNLKSA-N 1 2 299.331 -1.759 20 0 CAADLO COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)c2ncn[nH]2)[C@H](OC)C1 ZINC001213593235 780145875 /nfs/dbraw/zinc/14/58/75/780145875.db2.gz QIZQQXKMAHBAMC-OPRDCNLKSA-N 1 2 299.331 -1.759 20 0 CAADLO COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)c2nc[nH]n2)[C@H](OC)C1 ZINC001213593235 780145881 /nfs/dbraw/zinc/14/58/81/780145881.db2.gz QIZQQXKMAHBAMC-OPRDCNLKSA-N 1 2 299.331 -1.759 20 0 CAADLO COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)c2nc[nH]n2)[C@H](OC)C1 ZINC001213593235 780145886 /nfs/dbraw/zinc/14/58/86/780145886.db2.gz QIZQQXKMAHBAMC-OPRDCNLKSA-N 1 2 299.331 -1.759 20 0 CAADLO CCc1nnc(C[N@H+]2C[C@@H]3[C@@H](CNC(=O)C(N)=O)[C@@H]3C2)o1 ZINC001276709834 780151639 /nfs/dbraw/zinc/15/16/39/780151639.db2.gz WBJYVCIMPWDNGH-PSVAKVPMSA-N 1 2 293.327 -1.089 20 0 CAADLO CCc1nnc(C[N@@H+]2C[C@@H]3[C@@H](CNC(=O)C(N)=O)[C@@H]3C2)o1 ZINC001276709834 780151643 /nfs/dbraw/zinc/15/16/43/780151643.db2.gz WBJYVCIMPWDNGH-PSVAKVPMSA-N 1 2 293.327 -1.089 20 0 CAADLO CNC(=O)CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nnn(C)n2)C1 ZINC001214499621 780152769 /nfs/dbraw/zinc/15/27/69/780152769.db2.gz QGRAHDJFDFHNJZ-RKDXNWHRSA-N 1 2 295.347 -1.717 20 0 CAADLO CNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)Cc2ncn[nH]2)C[C@H]1C ZINC001216310697 780158039 /nfs/dbraw/zinc/15/80/39/780158039.db2.gz XHDCYTQTGCILOP-KXUCPTDWSA-N 1 2 294.359 -1.082 20 0 CAADLO CCNC(=O)C[NH2+][C@@H]1CN(C(=O)Cc2ncn[nH]2)C[C@H]1C ZINC001216309724 780158146 /nfs/dbraw/zinc/15/81/46/780158146.db2.gz ASCFLALQTHIUIH-NXEZZACHSA-N 1 2 294.359 -1.080 20 0 CAADLO CNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@H]2OCCN(C(C)=O)[C@H]2C1 ZINC001217152185 780159507 /nfs/dbraw/zinc/15/95/07/780159507.db2.gz CWKGUSVULLKBHC-INTQDDNPSA-N 1 2 298.343 -1.238 20 0 CAADLO CNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@H]2OCCN(C(C)=O)[C@H]2C1 ZINC001217152185 780159516 /nfs/dbraw/zinc/15/95/16/780159516.db2.gz CWKGUSVULLKBHC-INTQDDNPSA-N 1 2 298.343 -1.238 20 0 CAADLO CC(=O)N1CCO[C@@H]2C[N@@H+]([C@@H](C)C(=O)NC(N)=O)C[C@@H]21 ZINC001217152531 780159909 /nfs/dbraw/zinc/15/99/09/780159909.db2.gz JIDHZJMTMGKEHO-UJNFCWOMSA-N 1 2 284.316 -1.499 20 0 CAADLO CC(=O)N1CCO[C@@H]2C[N@H+]([C@@H](C)C(=O)NC(N)=O)C[C@@H]21 ZINC001217152531 780159912 /nfs/dbraw/zinc/15/99/12/780159912.db2.gz JIDHZJMTMGKEHO-UJNFCWOMSA-N 1 2 284.316 -1.499 20 0 CAADLO Cc1c(NC(=O)[C@@H]([NH3+])Cc2nn[nH]n2)cnn1C ZINC001218504903 780165653 /nfs/dbraw/zinc/16/56/53/780165653.db2.gz ISVPWCVZUOTDJL-LURJTMIESA-N 1 2 250.266 -1.250 20 0 CAADLO C[S@](=O)CC[C@H]([NH3+])C(=O)N=c1ncnc2[nH][nH]cc1-2 ZINC001218517759 780166918 /nfs/dbraw/zinc/16/69/18/780166918.db2.gz KYCJGJUYIHAELC-IIYDVTGLSA-N 1 2 282.329 -1.239 20 0 CAADLO Cn1cncc1C[C@H]([NH3+])C(=O)N=c1ncnc2[nH][nH]cc1-2 ZINC001218518308 780167184 /nfs/dbraw/zinc/16/71/84/780167184.db2.gz OSJNLNRUHUCREJ-VIFPVBQESA-N 1 2 286.299 -1.032 20 0 CAADLO COC(=O)c1ccc(NC(=O)[C@@H]([NH3+])Cc2nn[nH]n2)cn1 ZINC001218509861 780167322 /nfs/dbraw/zinc/16/73/22/780167322.db2.gz POGPJTRIUPZEHF-ZETCQYMHSA-N 1 2 291.271 -1.110 20 0 CAADLO Cc1cc(NC(=O)[C@@H]([NH3+])Cc2nn[nH]n2)n2ncnc2n1 ZINC001218527439 780169282 /nfs/dbraw/zinc/16/92/82/780169282.db2.gz KOQHDEJYPAKXCA-LURJTMIESA-N 1 2 288.275 -1.546 20 0 CAADLO COC(=O)[C@@H]([NH3+])CC(=O)Nc1ncnn2cccc12 ZINC001218565768 780171776 /nfs/dbraw/zinc/17/17/76/780171776.db2.gz WMAGSDHWGLDLTQ-ZETCQYMHSA-N 1 2 263.257 -1.020 20 0 CAADLO Nc1[nH]c(=O)[nH]c(=O)c1NC(=O)[C@@H]1COCC[NH2+]1 ZINC001218574752 780172259 /nfs/dbraw/zinc/17/22/59/780172259.db2.gz SBTJDSDXNBTUOQ-BYPYZUCNSA-N 1 2 255.234 -1.603 20 0 CAADLO COc1ncc(NC(=O)[C@@H]([NH3+])Cc2nn[nH]n2)cn1 ZINC001218590719 780173360 /nfs/dbraw/zinc/17/33/60/780173360.db2.gz SWKXJMOUKQOPLR-LURJTMIESA-N 1 2 264.249 -1.493 20 0 CAADLO N=c1ccc(F)c(N)n1C(=O)[C@@H]([NH3+])Cc1nn[nH]n1 ZINC001218604597 780175104 /nfs/dbraw/zinc/17/51/04/780175104.db2.gz RTYKERWFYLJZEI-YFKPBYRVSA-N 1 2 266.240 -1.588 20 0 CAADLO NC(=O)c1nccnc1NC(=O)[C@@H]1COCC[NH2+]1 ZINC001218617068 780175128 /nfs/dbraw/zinc/17/51/28/780175128.db2.gz CPCORGKEUBFSKB-LURJTMIESA-N 1 2 251.246 -1.498 20 0 CAADLO COC(=O)[C@@H]([NH3+])CC(=O)N(C)c1nccnc1N ZINC001218624204 780176398 /nfs/dbraw/zinc/17/63/98/780176398.db2.gz YMXOGFNNUPXVJQ-LURJTMIESA-N 1 2 253.262 -1.088 20 0 CAADLO CCOc1cnc(NC(=O)[C@@H]([NH3+])Cc2nn[nH]n2)cn1 ZINC001218621950 780176623 /nfs/dbraw/zinc/17/66/23/780176623.db2.gz WOLFVLGAJKXWMW-LURJTMIESA-N 1 2 278.276 -1.103 20 0 CAADLO Nc1ncc(Cl)nc1NC(=O)[C@@H]([NH3+])Cc1nn[nH]n1 ZINC001218653588 780178489 /nfs/dbraw/zinc/17/84/89/780178489.db2.gz ZUTWNXKWTANJHJ-VKHMYHEASA-N 1 2 283.683 -1.266 20 0 CAADLO [NH3+][C@@H](Cc1nn[nH]n1)C(=O)Nc1cn[nH]c(=O)c1Cl ZINC001218631930 780178604 /nfs/dbraw/zinc/17/86/04/780178604.db2.gz JCRGLNVNWBWYJA-VKHMYHEASA-N 1 2 284.667 -1.143 20 0 CAADLO [NH3+]C1(C(=O)NC2C(=O)N=CN=C2[O-])CC[NH2+]CC1 ZINC001218702138 780181440 /nfs/dbraw/zinc/18/14/40/780181440.db2.gz LVNNPICXODEQDC-UHFFFAOYSA-N 1 2 253.262 -1.093 20 0 CAADLO O=C(NC1C(=O)N=CN=C1[O-])[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001218701924 780181461 /nfs/dbraw/zinc/18/14/61/780181461.db2.gz GFCQHDAVUSFERX-KGFZYKRKSA-N 1 2 265.273 -1.222 20 0 CAADLO NC(=O)c1cnoc1NC(=O)[C@@H]([NH3+])Cc1nn[nH]n1 ZINC001218701781 780181619 /nfs/dbraw/zinc/18/16/19/780181619.db2.gz DSEBHRDMMIVAID-BYPYZUCNSA-N 1 2 266.221 -2.205 20 0 CAADLO Cc1c(NC(=O)[C@@H]([NH3+])Cc2nn[nH]n2)ncn1C ZINC001218691081 780181687 /nfs/dbraw/zinc/18/16/87/780181687.db2.gz GADGHALPZYLGJI-LURJTMIESA-N 1 2 250.266 -1.250 20 0 CAADLO [NH3+][C@@H](Cc1nn[nH]n1)C(=O)Nc1cnn2c1OCCC2 ZINC001218793994 780184489 /nfs/dbraw/zinc/18/44/89/780184489.db2.gz JZINGWMAPOXEDV-LURJTMIESA-N 1 2 278.276 -1.313 20 0 CAADLO Nc1ccc(NC(=O)[C@@H]([NH3+])Cc2nn[nH]n2)c(CCO)c1 ZINC001218917911 780186120 /nfs/dbraw/zinc/18/61/20/780186120.db2.gz CEZYKGWSQPHABB-VIFPVBQESA-N 1 2 291.315 -1.175 20 0 CAADLO COCC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCCCC2)C[C@@H]1O ZINC001219077003 780186645 /nfs/dbraw/zinc/18/66/45/780186645.db2.gz DTKAOPHQMNRIHM-NEPJUHHUSA-N 1 2 299.371 -1.193 20 0 CAADLO COCC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCCCC2)C[C@@H]1O ZINC001219077003 780186648 /nfs/dbraw/zinc/18/66/48/780186648.db2.gz DTKAOPHQMNRIHM-NEPJUHHUSA-N 1 2 299.371 -1.193 20 0 CAADLO CCC(=O)N[C@@H]1C[N@H+](CCNS(=O)(=O)CC)C[C@@H]1O ZINC001219077269 780186808 /nfs/dbraw/zinc/18/68/08/780186808.db2.gz OZDZQFZPHWIOSV-ZJUUUORDSA-N 1 2 293.389 -1.503 20 0 CAADLO CCC(=O)N[C@@H]1C[N@@H+](CCNS(=O)(=O)CC)C[C@@H]1O ZINC001219077269 780186813 /nfs/dbraw/zinc/18/68/13/780186813.db2.gz OZDZQFZPHWIOSV-ZJUUUORDSA-N 1 2 293.389 -1.503 20 0 CAADLO COCCC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@@H]1O ZINC001219082310 780187440 /nfs/dbraw/zinc/18/74/40/780187440.db2.gz QSCIEOCETACTEO-MNOVXSKESA-N 1 2 285.344 -1.584 20 0 CAADLO COCCC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@@H]1O ZINC001219082310 780187445 /nfs/dbraw/zinc/18/74/45/780187445.db2.gz QSCIEOCETACTEO-MNOVXSKESA-N 1 2 285.344 -1.584 20 0 CAADLO CCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC(N)=O)C[C@@H]1O ZINC001219082261 780187471 /nfs/dbraw/zinc/18/74/71/780187471.db2.gz PAZVAZGTNACLLP-RNJXMRFFSA-N 1 2 272.305 -1.859 20 0 CAADLO CCC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)NC(N)=O)C[C@@H]1O ZINC001219082261 780187477 /nfs/dbraw/zinc/18/74/77/780187477.db2.gz PAZVAZGTNACLLP-RNJXMRFFSA-N 1 2 272.305 -1.859 20 0 CAADLO CNC(=O)NC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(C)=O)[C@@H](O)C1 ZINC001219079435 780187747 /nfs/dbraw/zinc/18/77/47/780187747.db2.gz YAPDTFPBVQNNJJ-VDAHYXPESA-N 1 2 272.305 -1.988 20 0 CAADLO CNC(=O)NC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(C)=O)[C@@H](O)C1 ZINC001219079435 780187752 /nfs/dbraw/zinc/18/77/52/780187752.db2.gz YAPDTFPBVQNNJJ-VDAHYXPESA-N 1 2 272.305 -1.988 20 0 CAADLO COCCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC2CC2)C[C@@H]1O ZINC001219081033 780187834 /nfs/dbraw/zinc/18/78/34/780187834.db2.gz WYUZCDFWHNPZHO-WCQGTBRESA-N 1 2 299.371 -1.149 20 0 CAADLO COCCC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)NC2CC2)C[C@@H]1O ZINC001219081033 780187838 /nfs/dbraw/zinc/18/78/38/780187838.db2.gz WYUZCDFWHNPZHO-WCQGTBRESA-N 1 2 299.371 -1.149 20 0 CAADLO CC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)NC(=O)NC2CC2)C[C@@H]1O ZINC001219078647 780188020 /nfs/dbraw/zinc/18/80/20/780188020.db2.gz GWFYEHWNTHIAGS-ONOSFVFSSA-N 1 2 298.343 -1.456 20 0 CAADLO CC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)NC(=O)NC2CC2)C[C@@H]1O ZINC001219078647 780188028 /nfs/dbraw/zinc/18/80/28/780188028.db2.gz GWFYEHWNTHIAGS-ONOSFVFSSA-N 1 2 298.343 -1.456 20 0 CAADLO CC(=O)N[C@@H]1C[N@H+](CCN(C)S(C)(=O)=O)C[C@@H]1O ZINC001219082612 780188188 /nfs/dbraw/zinc/18/81/88/780188188.db2.gz YXCPSRUVJHKBHU-ZJUUUORDSA-N 1 2 279.362 -1.941 20 0 CAADLO CC(=O)N[C@@H]1C[N@@H+](CCN(C)S(C)(=O)=O)C[C@@H]1O ZINC001219082612 780188189 /nfs/dbraw/zinc/18/81/89/780188189.db2.gz YXCPSRUVJHKBHU-ZJUUUORDSA-N 1 2 279.362 -1.941 20 0 CAADLO CNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@@H](NC(C)=O)[C@@H](O)C1 ZINC001219079436 780188200 /nfs/dbraw/zinc/18/82/00/780188200.db2.gz YAPDTFPBVQNNJJ-ZQARSLAVSA-N 1 2 272.305 -1.988 20 0 CAADLO CNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(C)=O)[C@@H](O)C1 ZINC001219079436 780188204 /nfs/dbraw/zinc/18/82/04/780188204.db2.gz YAPDTFPBVQNNJJ-ZQARSLAVSA-N 1 2 272.305 -1.988 20 0 CAADLO CCS(=O)(=O)NCC[N@H+]1C[C@@H](NC(C)=O)[C@@H](O)C1 ZINC001219078581 780188328 /nfs/dbraw/zinc/18/83/28/780188328.db2.gz DSVLWSXQWHWNEP-ZJUUUORDSA-N 1 2 279.362 -1.893 20 0 CAADLO CCS(=O)(=O)NCC[N@@H+]1C[C@@H](NC(C)=O)[C@@H](O)C1 ZINC001219078581 780188332 /nfs/dbraw/zinc/18/83/32/780188332.db2.gz DSVLWSXQWHWNEP-ZJUUUORDSA-N 1 2 279.362 -1.893 20 0 CAADLO CCCC[C@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)COC)[C@@H](O)C1 ZINC001219083654 780189206 /nfs/dbraw/zinc/18/92/06/780189206.db2.gz GFWMYIQJVSHDMG-MXWKQRLJSA-N 1 2 287.360 -1.162 20 0 CAADLO CCCC[C@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)COC)[C@@H](O)C1 ZINC001219083654 780189211 /nfs/dbraw/zinc/18/92/11/780189211.db2.gz GFWMYIQJVSHDMG-MXWKQRLJSA-N 1 2 287.360 -1.162 20 0 CAADLO COCC(=O)N[C@@H]1C[N@@H+]([C@H]2CCN(C)C2=O)C[C@@H]1O ZINC001219083644 780189310 /nfs/dbraw/zinc/18/93/10/780189310.db2.gz FRTIUZGIVNUNEG-UTLUCORTSA-N 1 2 271.317 -1.975 20 0 CAADLO COCC(=O)N[C@@H]1C[N@H+]([C@H]2CCN(C)C2=O)C[C@@H]1O ZINC001219083644 780189315 /nfs/dbraw/zinc/18/93/15/780189315.db2.gz FRTIUZGIVNUNEG-UTLUCORTSA-N 1 2 271.317 -1.975 20 0 CAADLO COCC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCN(C(C)C)C2=O)C[C@@H]1O ZINC001219084148 780189498 /nfs/dbraw/zinc/18/94/98/780189498.db2.gz VILKUHAXLSGCGJ-UTUOFQBUSA-N 1 2 299.371 -1.197 20 0 CAADLO COCC(=O)N[C@@H]1C[N@H+]([C@@H]2CCN(C(C)C)C2=O)C[C@@H]1O ZINC001219084148 780189502 /nfs/dbraw/zinc/18/95/02/780189502.db2.gz VILKUHAXLSGCGJ-UTUOFQBUSA-N 1 2 299.371 -1.197 20 0 CAADLO COCC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)NC2CC2)C[C@@H]1O ZINC001219085882 780190064 /nfs/dbraw/zinc/19/00/64/780190064.db2.gz FPNBEFFIECLLEN-IEBDPFPHSA-N 1 2 285.344 -1.539 20 0 CAADLO COCC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)NC2CC2)C[C@@H]1O ZINC001219085882 780190069 /nfs/dbraw/zinc/19/00/69/780190069.db2.gz FPNBEFFIECLLEN-IEBDPFPHSA-N 1 2 285.344 -1.539 20 0 CAADLO CC[C@@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)CCOC)[C@@H](O)C1 ZINC001219095236 780190506 /nfs/dbraw/zinc/19/05/06/780190506.db2.gz LSPAWYLDHHWYMR-UTLUCORTSA-N 1 2 273.333 -1.552 20 0 CAADLO CC[C@@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)CCOC)[C@@H](O)C1 ZINC001219095236 780190509 /nfs/dbraw/zinc/19/05/09/780190509.db2.gz LSPAWYLDHHWYMR-UTLUCORTSA-N 1 2 273.333 -1.552 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)CCOC)[C@@H](O)C1 ZINC001219095789 780190894 /nfs/dbraw/zinc/19/08/94/780190894.db2.gz XAWBWOLHHKQAEA-BBBLOLIVSA-N 1 2 273.333 -1.681 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CCOC)[C@@H](O)C1 ZINC001219095789 780190900 /nfs/dbraw/zinc/19/09/00/780190900.db2.gz XAWBWOLHHKQAEA-BBBLOLIVSA-N 1 2 273.333 -1.681 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)COC)[C@@H](O)C1 ZINC001219093550 780190985 /nfs/dbraw/zinc/19/09/85/780190985.db2.gz XZRWMNJOOGGURO-HLTSFMKQSA-N 1 2 259.306 -2.071 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)COC)[C@@H](O)C1 ZINC001219093550 780190987 /nfs/dbraw/zinc/19/09/87/780190987.db2.gz XZRWMNJOOGGURO-HLTSFMKQSA-N 1 2 259.306 -2.071 20 0 CAADLO COCC(=O)N[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@@H]1O ZINC001219091419 780191178 /nfs/dbraw/zinc/19/11/78/780191178.db2.gz LJEKDSQXEMFYQI-BDAKNGLRSA-N 1 2 259.306 -2.118 20 0 CAADLO COCC(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@@H]1O ZINC001219091419 780191181 /nfs/dbraw/zinc/19/11/81/780191181.db2.gz LJEKDSQXEMFYQI-BDAKNGLRSA-N 1 2 259.306 -2.118 20 0 CAADLO COCC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@@H]1O ZINC001219091989 780191200 /nfs/dbraw/zinc/19/12/00/780191200.db2.gz YKBRDRAIYAXUGL-HLTSFMKQSA-N 1 2 257.290 -2.317 20 0 CAADLO COCC(=O)N[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@@H]1O ZINC001219091989 780191203 /nfs/dbraw/zinc/19/12/03/780191203.db2.gz YKBRDRAIYAXUGL-HLTSFMKQSA-N 1 2 257.290 -2.317 20 0 CAADLO COCC(=O)N[C@@H]1C[N@H+](CCNC(=O)C2CC2)C[C@@H]1O ZINC001219093156 780191365 /nfs/dbraw/zinc/19/13/65/780191365.db2.gz JEKUJBXNYXDXJW-MNOVXSKESA-N 1 2 285.344 -1.680 20 0 CAADLO COCC(=O)N[C@@H]1C[N@@H+](CCNC(=O)C2CC2)C[C@@H]1O ZINC001219093156 780191368 /nfs/dbraw/zinc/19/13/68/780191368.db2.gz JEKUJBXNYXDXJW-MNOVXSKESA-N 1 2 285.344 -1.680 20 0 CAADLO COCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)N(C)C)C[C@@H]1O ZINC001219093403 780191394 /nfs/dbraw/zinc/19/13/94/780191394.db2.gz VFZRMCAJZDYBCD-AEJSXWLSSA-N 1 2 273.333 -1.729 20 0 CAADLO COCC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)N(C)C)C[C@@H]1O ZINC001219093403 780191398 /nfs/dbraw/zinc/19/13/98/780191398.db2.gz VFZRMCAJZDYBCD-AEJSXWLSSA-N 1 2 273.333 -1.729 20 0 CAADLO CCCC(=O)N[C@@H]1C[N@@H+]([C@H]2CCC(=O)NC2=O)C[C@@H]1O ZINC001219107178 780192072 /nfs/dbraw/zinc/19/20/72/780192072.db2.gz VESNOONQOMJGNZ-UTLUCORTSA-N 1 2 283.328 -1.247 20 0 CAADLO CCCC(=O)N[C@@H]1C[N@H+]([C@H]2CCC(=O)NC2=O)C[C@@H]1O ZINC001219107178 780192080 /nfs/dbraw/zinc/19/20/80/780192080.db2.gz VESNOONQOMJGNZ-UTLUCORTSA-N 1 2 283.328 -1.247 20 0 CAADLO CC(=O)NCC(=O)N[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@@H]1O ZINC001219104836 780192096 /nfs/dbraw/zinc/19/20/96/780192096.db2.gz GCFBDLYCQCWSQS-UTLUCORTSA-N 1 2 284.316 -2.828 20 0 CAADLO CC(=O)NCC(=O)N[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@@H]1O ZINC001219104836 780192103 /nfs/dbraw/zinc/19/21/03/780192103.db2.gz GCFBDLYCQCWSQS-UTLUCORTSA-N 1 2 284.316 -2.828 20 0 CAADLO CC(=O)NCC(=O)N[C@@H]1C[N@H+](Cc2ccnn2C)C[C@@H]1O ZINC001219104857 780192907 /nfs/dbraw/zinc/19/29/07/780192907.db2.gz GVEZLLIJVHEXFE-NEPJUHHUSA-N 1 2 295.343 -1.783 20 0 CAADLO CC(=O)NCC(=O)N[C@@H]1C[N@@H+](Cc2ccnn2C)C[C@@H]1O ZINC001219104857 780192911 /nfs/dbraw/zinc/19/29/11/780192911.db2.gz GVEZLLIJVHEXFE-NEPJUHHUSA-N 1 2 295.343 -1.783 20 0 CAADLO CC(=O)NCC(=O)N[C@@H]1C[N@H+](Cc2cc(C)no2)C[C@@H]1O ZINC001219104883 780192983 /nfs/dbraw/zinc/19/29/83/780192983.db2.gz IDPOVAKWKDNBBN-NEPJUHHUSA-N 1 2 296.327 -1.220 20 0 CAADLO CC(=O)NCC(=O)N[C@@H]1C[N@@H+](Cc2cc(C)no2)C[C@@H]1O ZINC001219104883 780192987 /nfs/dbraw/zinc/19/29/87/780192987.db2.gz IDPOVAKWKDNBBN-NEPJUHHUSA-N 1 2 296.327 -1.220 20 0 CAADLO CC(=O)NCC(=O)N[C@@H]1CN(Cc2c[nH+]cn2C)C[C@@H]1O ZINC001219105255 780193004 /nfs/dbraw/zinc/19/30/04/780193004.db2.gz URMWCTBJPNNLOE-NEPJUHHUSA-N 1 2 295.343 -1.783 20 0 CAADLO CCOCC(=O)N[C@@H]1C[N@H+](CC(=O)N(C)CC)C[C@@H]1O ZINC001219134213 780193487 /nfs/dbraw/zinc/19/34/87/780193487.db2.gz DMHLWSAARHHWOT-MNOVXSKESA-N 1 2 287.360 -1.338 20 0 CAADLO CCOCC(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)CC)C[C@@H]1O ZINC001219134213 780193492 /nfs/dbraw/zinc/19/34/92/780193492.db2.gz DMHLWSAARHHWOT-MNOVXSKESA-N 1 2 287.360 -1.338 20 0 CAADLO CC(=O)NCC(=O)N[C@@H]1C[N@H+]([C@@H]2CCN(C)C2=O)C[C@@H]1O ZINC001219112032 780193789 /nfs/dbraw/zinc/19/37/89/780193789.db2.gz QATGMJZZUHHYNT-MXWKQRLJSA-N 1 2 298.343 -2.486 20 0 CAADLO CC(=O)NCC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCN(C)C2=O)C[C@@H]1O ZINC001219112032 780193795 /nfs/dbraw/zinc/19/37/95/780193795.db2.gz QATGMJZZUHHYNT-MXWKQRLJSA-N 1 2 298.343 -2.486 20 0 CAADLO CC[C@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)CNC(C)=O)[C@@H](O)C1 ZINC001219112198 780193926 /nfs/dbraw/zinc/19/39/26/780193926.db2.gz YGWDFFAAKIRHQY-BBBLOLIVSA-N 1 2 286.332 -2.452 20 0 CAADLO CC[C@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)CNC(C)=O)[C@@H](O)C1 ZINC001219112198 780193931 /nfs/dbraw/zinc/19/39/31/780193931.db2.gz YGWDFFAAKIRHQY-BBBLOLIVSA-N 1 2 286.332 -2.452 20 0 CAADLO CCCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC(N)=O)C[C@@H]1O ZINC001219108583 780193944 /nfs/dbraw/zinc/19/39/44/780193944.db2.gz SFZFGTUISVXXRO-YIZRAAEISA-N 1 2 286.332 -1.469 20 0 CAADLO CCCC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)NC(N)=O)C[C@@H]1O ZINC001219108583 780193948 /nfs/dbraw/zinc/19/39/48/780193948.db2.gz SFZFGTUISVXXRO-YIZRAAEISA-N 1 2 286.332 -1.469 20 0 CAADLO CC[C@@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)CNC(C)=O)[C@@H](O)C1 ZINC001219112199 780193958 /nfs/dbraw/zinc/19/39/58/780193958.db2.gz YGWDFFAAKIRHQY-UTLUCORTSA-N 1 2 286.332 -2.452 20 0 CAADLO CC[C@@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)CNC(C)=O)[C@@H](O)C1 ZINC001219112199 780193962 /nfs/dbraw/zinc/19/39/62/780193962.db2.gz YGWDFFAAKIRHQY-UTLUCORTSA-N 1 2 286.332 -2.452 20 0 CAADLO CCCC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)NC(N)=O)C[C@@H]1O ZINC001219108582 780194239 /nfs/dbraw/zinc/19/42/39/780194239.db2.gz SFZFGTUISVXXRO-HLTSFMKQSA-N 1 2 286.332 -1.469 20 0 CAADLO CCCC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)NC(N)=O)C[C@@H]1O ZINC001219108582 780194242 /nfs/dbraw/zinc/19/42/42/780194242.db2.gz SFZFGTUISVXXRO-HLTSFMKQSA-N 1 2 286.332 -1.469 20 0 CAADLO CC(=O)NCC(=O)N[C@@H]1C[N@H+](Cc2cncs2)C[C@@H]1O ZINC001219111987 780194298 /nfs/dbraw/zinc/19/42/98/780194298.db2.gz NZKJWBYTKVBUDG-MNOVXSKESA-N 1 2 298.368 -1.060 20 0 CAADLO CC(=O)NCC(=O)N[C@@H]1C[N@@H+](Cc2cncs2)C[C@@H]1O ZINC001219111987 780194299 /nfs/dbraw/zinc/19/42/99/780194299.db2.gz NZKJWBYTKVBUDG-MNOVXSKESA-N 1 2 298.368 -1.060 20 0 CAADLO CCOCC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCCC2)C[C@@H]1O ZINC001219136196 780194950 /nfs/dbraw/zinc/19/49/50/780194950.db2.gz SJRLXWPFHPULGU-NEPJUHHUSA-N 1 2 299.371 -1.193 20 0 CAADLO CCOCC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCCC2)C[C@@H]1O ZINC001219136196 780194953 /nfs/dbraw/zinc/19/49/53/780194953.db2.gz SJRLXWPFHPULGU-NEPJUHHUSA-N 1 2 299.371 -1.193 20 0 CAADLO CCOCC(=O)N[C@@H]1C[N@@H+]([C@H]2CCCNC2=O)C[C@@H]1O ZINC001219143082 780195242 /nfs/dbraw/zinc/19/52/42/780195242.db2.gz AZLMDIRTYDPWQF-VWYCJHECSA-N 1 2 285.344 -1.537 20 0 CAADLO CCOCC(=O)N[C@@H]1C[N@H+]([C@H]2CCCNC2=O)C[C@@H]1O ZINC001219143082 780195247 /nfs/dbraw/zinc/19/52/47/780195247.db2.gz AZLMDIRTYDPWQF-VWYCJHECSA-N 1 2 285.344 -1.537 20 0 CAADLO CCOCC(=O)N[C@@H]1C[N@@H+]([C@H]2CCN(C)C2=O)C[C@@H]1O ZINC001219144978 780195295 /nfs/dbraw/zinc/19/52/95/780195295.db2.gz BQMXKRJPZGKIPC-VWYCJHECSA-N 1 2 285.344 -1.585 20 0 CAADLO CCOCC(=O)N[C@@H]1C[N@H+]([C@H]2CCN(C)C2=O)C[C@@H]1O ZINC001219144978 780195301 /nfs/dbraw/zinc/19/53/01/780195301.db2.gz BQMXKRJPZGKIPC-VWYCJHECSA-N 1 2 285.344 -1.585 20 0 CAADLO CCOCC(=O)N[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@@H]1O ZINC001219136098 780195577 /nfs/dbraw/zinc/19/55/77/780195577.db2.gz PBWMVEILVACCNC-UTLUCORTSA-N 1 2 271.317 -1.927 20 0 CAADLO CCOCC(=O)N[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@@H]1O ZINC001219136098 780195580 /nfs/dbraw/zinc/19/55/80/780195580.db2.gz PBWMVEILVACCNC-UTLUCORTSA-N 1 2 271.317 -1.927 20 0 CAADLO CCOCC(=O)N[C@@H]1C[N@H+](CC(=O)N(C)C2CC2)C[C@@H]1O ZINC001219136162 780195691 /nfs/dbraw/zinc/19/56/91/780195691.db2.gz QIBZSGBNOBIYAR-NEPJUHHUSA-N 1 2 299.371 -1.195 20 0 CAADLO CCOCC(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)C2CC2)C[C@@H]1O ZINC001219136162 780195696 /nfs/dbraw/zinc/19/56/96/780195696.db2.gz QIBZSGBNOBIYAR-NEPJUHHUSA-N 1 2 299.371 -1.195 20 0 CAADLO CSCCC(=O)N[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@@H]1O ZINC001219160833 780196508 /nfs/dbraw/zinc/19/65/08/780196508.db2.gz FDDKRRKQLXWHAE-ZJUUUORDSA-N 1 2 289.401 -1.011 20 0 CAADLO CSCCC(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@@H]1O ZINC001219160833 780196518 /nfs/dbraw/zinc/19/65/18/780196518.db2.gz FDDKRRKQLXWHAE-ZJUUUORDSA-N 1 2 289.401 -1.011 20 0 CAADLO CSCCC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(N)=O)C[C@@H]1O ZINC001219161141 780196586 /nfs/dbraw/zinc/19/65/86/780196586.db2.gz SUCXMUDKVHBMRF-HLTSFMKQSA-N 1 2 275.374 -1.225 20 0 CAADLO CSCCC(=O)N[C@@H]1C[N@H+]([C@H](C)C(N)=O)C[C@@H]1O ZINC001219161141 780196593 /nfs/dbraw/zinc/19/65/93/780196593.db2.gz SUCXMUDKVHBMRF-HLTSFMKQSA-N 1 2 275.374 -1.225 20 0 CAADLO CSCC(=O)N[C@@H]1C[N@@H+]([C@H]2CCN(C)C2=O)C[C@@H]1O ZINC001219153812 780196748 /nfs/dbraw/zinc/19/67/48/780196748.db2.gz QRYHVTXAAVRFMK-UTLUCORTSA-N 1 2 287.385 -1.259 20 0 CAADLO CSCC(=O)N[C@@H]1C[N@H+]([C@H]2CCN(C)C2=O)C[C@@H]1O ZINC001219153812 780196755 /nfs/dbraw/zinc/19/67/55/780196755.db2.gz QRYHVTXAAVRFMK-UTLUCORTSA-N 1 2 287.385 -1.259 20 0 CAADLO CSCCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(N)=O)C[C@@H]1O ZINC001219161142 780196861 /nfs/dbraw/zinc/19/68/61/780196861.db2.gz SUCXMUDKVHBMRF-YIZRAAEISA-N 1 2 275.374 -1.225 20 0 CAADLO CSCCC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(N)=O)C[C@@H]1O ZINC001219161142 780196867 /nfs/dbraw/zinc/19/68/67/780196867.db2.gz SUCXMUDKVHBMRF-YIZRAAEISA-N 1 2 275.374 -1.225 20 0 CAADLO CSCC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCN(C)C2=O)C[C@@H]1O ZINC001219153809 780197079 /nfs/dbraw/zinc/19/70/79/780197079.db2.gz QRYHVTXAAVRFMK-BBBLOLIVSA-N 1 2 287.385 -1.259 20 0 CAADLO CSCC(=O)N[C@@H]1C[N@H+]([C@@H]2CCN(C)C2=O)C[C@@H]1O ZINC001219153809 780197082 /nfs/dbraw/zinc/19/70/82/780197082.db2.gz QRYHVTXAAVRFMK-BBBLOLIVSA-N 1 2 287.385 -1.259 20 0 CAADLO CSCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)N(C)C)C[C@@H]1O ZINC001219158708 780197368 /nfs/dbraw/zinc/19/73/68/780197368.db2.gz MXTOFNJVIUGZOI-AEJSXWLSSA-N 1 2 289.401 -1.013 20 0 CAADLO CSCC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)N(C)C)C[C@@H]1O ZINC001219158708 780197371 /nfs/dbraw/zinc/19/73/71/780197371.db2.gz MXTOFNJVIUGZOI-AEJSXWLSSA-N 1 2 289.401 -1.013 20 0 CAADLO CSCCC(=O)N[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@@H]1O ZINC001219160976 780197419 /nfs/dbraw/zinc/19/74/19/780197419.db2.gz LPOUEDSLXJLZNU-UTLUCORTSA-N 1 2 287.385 -1.211 20 0 CAADLO CSCCC(=O)N[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@@H]1O ZINC001219160976 780197422 /nfs/dbraw/zinc/19/74/22/780197422.db2.gz LPOUEDSLXJLZNU-UTLUCORTSA-N 1 2 287.385 -1.211 20 0 CAADLO CN1CC[C@H]([N@H+]2C[C@@H](NC(=O)CNC(N)=O)[C@@H](O)C2)C1=O ZINC001219163427 780198024 /nfs/dbraw/zinc/19/80/24/780198024.db2.gz SUPMZECZIRFBEU-VGMNWLOBSA-N 1 2 299.331 -2.953 20 0 CAADLO CN1CC[C@H]([N@@H+]2C[C@@H](NC(=O)CNC(N)=O)[C@@H](O)C2)C1=O ZINC001219163427 780198031 /nfs/dbraw/zinc/19/80/31/780198031.db2.gz SUPMZECZIRFBEU-VGMNWLOBSA-N 1 2 299.331 -2.953 20 0 CAADLO CN(C)C(=O)C[N@H+]1C[C@@H](NC(=O)CNC(N)=O)[C@@H](O)C1 ZINC001219168820 780198189 /nfs/dbraw/zinc/19/81/89/780198189.db2.gz NMSNNOAULWXBNW-SFYZADRCSA-N 1 2 287.320 -3.096 20 0 CAADLO CN(C)C(=O)C[N@@H+]1C[C@@H](NC(=O)CNC(N)=O)[C@@H](O)C1 ZINC001219168820 780198195 /nfs/dbraw/zinc/19/81/95/780198195.db2.gz NMSNNOAULWXBNW-SFYZADRCSA-N 1 2 287.320 -3.096 20 0 CAADLO NC(=O)NCC(=O)N[C@@H]1C[N@@H+]([C@H]2CCCNC2=O)C[C@@H]1O ZINC001219168811 780198347 /nfs/dbraw/zinc/19/83/47/780198347.db2.gz NARACPOSSCUXAS-VGMNWLOBSA-N 1 2 299.331 -2.905 20 0 CAADLO NC(=O)NCC(=O)N[C@@H]1C[N@H+]([C@H]2CCCNC2=O)C[C@@H]1O ZINC001219168811 780198350 /nfs/dbraw/zinc/19/83/50/780198350.db2.gz NARACPOSSCUXAS-VGMNWLOBSA-N 1 2 299.331 -2.905 20 0 CAADLO NC(=O)NCC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@@H]1O ZINC001219167161 780198432 /nfs/dbraw/zinc/19/84/32/780198432.db2.gz KKPMSFALCYBXRA-BDAKNGLRSA-N 1 2 299.331 -2.952 20 0 CAADLO NC(=O)NCC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@@H]1O ZINC001219167161 780198439 /nfs/dbraw/zinc/19/84/39/780198439.db2.gz KKPMSFALCYBXRA-BDAKNGLRSA-N 1 2 299.331 -2.952 20 0 CAADLO Cn1c[nH+]cc1CN1C[C@@H](NC(=O)CNC(N)=O)[C@@H](O)C1 ZINC001219167452 780198453 /nfs/dbraw/zinc/19/84/53/780198453.db2.gz XRSIFRKWEPSVMI-ZJUUUORDSA-N 1 2 296.331 -2.250 20 0 CAADLO Cc1nocc1C[N@H+]1C[C@@H](NC(=O)CNC(N)=O)[C@@H](O)C1 ZINC001219167131 780198490 /nfs/dbraw/zinc/19/84/90/780198490.db2.gz JAZDYPFTEFLZSK-ZJUUUORDSA-N 1 2 297.315 -1.687 20 0 CAADLO Cc1nocc1C[N@@H+]1C[C@@H](NC(=O)CNC(N)=O)[C@@H](O)C1 ZINC001219167131 780198493 /nfs/dbraw/zinc/19/84/93/780198493.db2.gz JAZDYPFTEFLZSK-ZJUUUORDSA-N 1 2 297.315 -1.687 20 0 CAADLO NC(=O)NCC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@@H]1O ZINC001219168833 780198553 /nfs/dbraw/zinc/19/85/53/780198553.db2.gz NTJVZJMGOVUDBG-PRJMDXOYSA-N 1 2 285.304 -3.296 20 0 CAADLO NC(=O)NCC(=O)N[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@@H]1O ZINC001219168833 780198554 /nfs/dbraw/zinc/19/85/54/780198554.db2.gz NTJVZJMGOVUDBG-PRJMDXOYSA-N 1 2 285.304 -3.296 20 0 CAADLO Cc1cc(C[N@H+]2C[C@@H](NC(=O)CNC(N)=O)[C@@H](O)C2)on1 ZINC001219167460 780198614 /nfs/dbraw/zinc/19/86/14/780198614.db2.gz YHCNEHARKPLDKG-ZJUUUORDSA-N 1 2 297.315 -1.687 20 0 CAADLO Cc1cc(C[N@@H+]2C[C@@H](NC(=O)CNC(N)=O)[C@@H](O)C2)on1 ZINC001219167460 780198622 /nfs/dbraw/zinc/19/86/22/780198622.db2.gz YHCNEHARKPLDKG-ZJUUUORDSA-N 1 2 297.315 -1.687 20 0 CAADLO NC(=O)NCC(=O)N[C@@H]1C[N@H+](Cc2cncs2)C[C@@H]1O ZINC001219168962 780198655 /nfs/dbraw/zinc/19/86/55/780198655.db2.gz SKCYHDHCMKTXDE-BDAKNGLRSA-N 1 2 299.356 -1.527 20 0 CAADLO NC(=O)NCC(=O)N[C@@H]1C[N@@H+](Cc2cncs2)C[C@@H]1O ZINC001219168962 780198663 /nfs/dbraw/zinc/19/86/63/780198663.db2.gz SKCYHDHCMKTXDE-BDAKNGLRSA-N 1 2 299.356 -1.527 20 0 CAADLO CNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)CNC(N)=O)[C@@H](O)C1 ZINC001219169053 780198672 /nfs/dbraw/zinc/19/86/72/780198672.db2.gz UGEQMLHCZLPRRO-RNJXMRFFSA-N 1 2 287.320 -3.050 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)CNC(N)=O)[C@@H](O)C1 ZINC001219169053 780198677 /nfs/dbraw/zinc/19/86/77/780198677.db2.gz UGEQMLHCZLPRRO-RNJXMRFFSA-N 1 2 287.320 -3.050 20 0 CAADLO Cc1ncoc1C[N@H+]1C[C@@H](NC(=O)CNC(N)=O)[C@@H](O)C1 ZINC001219168449 780198729 /nfs/dbraw/zinc/19/87/29/780198729.db2.gz CYAPBTJFMDKIKD-BDAKNGLRSA-N 1 2 297.315 -1.687 20 0 CAADLO Cc1ncoc1C[N@@H+]1C[C@@H](NC(=O)CNC(N)=O)[C@@H](O)C1 ZINC001219168449 780198732 /nfs/dbraw/zinc/19/87/32/780198732.db2.gz CYAPBTJFMDKIKD-BDAKNGLRSA-N 1 2 297.315 -1.687 20 0 CAADLO NC(=O)NCC(=O)N[C@@H]1C[N@H+](C/C=C\Cl)C[C@@H]1O ZINC001219163304 780198829 /nfs/dbraw/zinc/19/88/29/780198829.db2.gz NGQRXIPMJSDCPV-DREYKADXSA-N 1 2 276.724 -1.432 20 0 CAADLO NC(=O)NCC(=O)N[C@@H]1C[N@@H+](C/C=C\Cl)C[C@@H]1O ZINC001219163304 780198831 /nfs/dbraw/zinc/19/88/31/780198831.db2.gz NGQRXIPMJSDCPV-DREYKADXSA-N 1 2 276.724 -1.432 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)CCn2cncn2)[C@@H](O)C1 ZINC001219200879 780200087 /nfs/dbraw/zinc/20/00/87/780200087.db2.gz GRSHXIQZIKLOKM-AEJSXWLSSA-N 1 2 296.331 -2.297 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)CCn2cncn2)[C@@H](O)C1 ZINC001219200879 780200090 /nfs/dbraw/zinc/20/00/90/780200090.db2.gz GRSHXIQZIKLOKM-AEJSXWLSSA-N 1 2 296.331 -2.297 20 0 CAADLO CC(C)C(=O)N[C@@H]1C[N@H+](CCNS(C)(=O)=O)C[C@@H]1O ZINC001219187708 780200127 /nfs/dbraw/zinc/20/01/27/780200127.db2.gz GSOVDJVHUPLEAT-ZJUUUORDSA-N 1 2 293.389 -1.647 20 0 CAADLO CC(C)C(=O)N[C@@H]1C[N@@H+](CCNS(C)(=O)=O)C[C@@H]1O ZINC001219187708 780200129 /nfs/dbraw/zinc/20/01/29/780200129.db2.gz GSOVDJVHUPLEAT-ZJUUUORDSA-N 1 2 293.389 -1.647 20 0 CAADLO CC(C)C(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC(N)=O)C[C@@H]1O ZINC001219199254 780200421 /nfs/dbraw/zinc/20/04/21/780200421.db2.gz BMYPVWLVZOGROP-YIZRAAEISA-N 1 2 286.332 -1.613 20 0 CAADLO CC(C)C(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)NC(N)=O)C[C@@H]1O ZINC001219199254 780200429 /nfs/dbraw/zinc/20/04/29/780200429.db2.gz BMYPVWLVZOGROP-YIZRAAEISA-N 1 2 286.332 -1.613 20 0 CAADLO CC(C)OCCC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@@H]1O ZINC001219230203 780201359 /nfs/dbraw/zinc/20/13/59/780201359.db2.gz RYBMULZUUIIHAP-UTUOFQBUSA-N 1 2 299.371 -1.149 20 0 CAADLO CC(C)OCCC(=O)N[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@@H]1O ZINC001219230203 780201361 /nfs/dbraw/zinc/20/13/61/780201361.db2.gz RYBMULZUUIIHAP-UTUOFQBUSA-N 1 2 299.371 -1.149 20 0 CAADLO CC(=O)N(C)CC(=O)N[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@@H]1O ZINC001219221753 780201847 /nfs/dbraw/zinc/20/18/47/780201847.db2.gz GJBFBIRANWKZAB-VWYCJHECSA-N 1 2 298.343 -2.486 20 0 CAADLO CC(=O)N(C)CC(=O)N[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@@H]1O ZINC001219221753 780201852 /nfs/dbraw/zinc/20/18/52/780201852.db2.gz GJBFBIRANWKZAB-VWYCJHECSA-N 1 2 298.343 -2.486 20 0 CAADLO CCNC(=O)C[N@H+]1C[C@@H](NC(=O)CCCOC)[C@@H](O)C1 ZINC001219257468 780202825 /nfs/dbraw/zinc/20/28/25/780202825.db2.gz DTYMBSFJOQHVKY-MNOVXSKESA-N 1 2 287.360 -1.290 20 0 CAADLO CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)CCCOC)[C@@H](O)C1 ZINC001219257468 780202833 /nfs/dbraw/zinc/20/28/33/780202833.db2.gz DTYMBSFJOQHVKY-MNOVXSKESA-N 1 2 287.360 -1.290 20 0 CAADLO CCNC(=O)C[N@H+]1C[C@@H](NC(=O)C[C@@H]2CCCO2)[C@@H](O)C1 ZINC001219237661 780203184 /nfs/dbraw/zinc/20/31/84/780203184.db2.gz GCGNNTHPQPHODR-TUAOUCFPSA-N 1 2 299.371 -1.147 20 0 CAADLO CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)C[C@@H]2CCCO2)[C@@H](O)C1 ZINC001219237661 780203189 /nfs/dbraw/zinc/20/31/89/780203189.db2.gz GCGNNTHPQPHODR-TUAOUCFPSA-N 1 2 299.371 -1.147 20 0 CAADLO COCCCC(=O)N[C@@H]1C[N@H+](CC(=O)NC2CC2)C[C@@H]1O ZINC001219257614 780203752 /nfs/dbraw/zinc/20/37/52/780203752.db2.gz LLNMDJNLJBTAAK-NEPJUHHUSA-N 1 2 299.371 -1.147 20 0 CAADLO COCCCC(=O)N[C@@H]1C[N@@H+](CC(=O)NC2CC2)C[C@@H]1O ZINC001219257614 780203760 /nfs/dbraw/zinc/20/37/60/780203760.db2.gz LLNMDJNLJBTAAK-NEPJUHHUSA-N 1 2 299.371 -1.147 20 0 CAADLO COC(=O)NCC(=O)N[C@@H]1C[N@H+](CCF)C[C@@H]1O ZINC001219272224 780204467 /nfs/dbraw/zinc/20/44/67/780204467.db2.gz BZJIHJZIIJNSSH-SFYZADRCSA-N 1 2 263.269 -1.527 20 0 CAADLO COC(=O)NCC(=O)N[C@@H]1C[N@@H+](CCF)C[C@@H]1O ZINC001219272224 780204474 /nfs/dbraw/zinc/20/44/74/780204474.db2.gz BZJIHJZIIJNSSH-SFYZADRCSA-N 1 2 263.269 -1.527 20 0 CAADLO O=C(CNC(=O)C1CC1)N[C@@H]1C[N@@H+](CCF)C[C@@H]1O ZINC001219257595 780205134 /nfs/dbraw/zinc/20/51/34/780205134.db2.gz KQTFTMWSIJAILE-ZJUUUORDSA-N 1 2 273.308 -1.357 20 0 CAADLO CO[C@H](C)C(=O)N[C@@H]1C[N@H+](CC(=O)N(C)C2CC2)C[C@@H]1O ZINC001219272244 780205007 /nfs/dbraw/zinc/20/50/07/780205007.db2.gz CTMQPZIXBFUCCY-JLLWLGSASA-N 1 2 299.371 -1.197 20 0 CAADLO CO[C@H](C)C(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)C2CC2)C[C@@H]1O ZINC001219272244 780205013 /nfs/dbraw/zinc/20/50/13/780205013.db2.gz CTMQPZIXBFUCCY-JLLWLGSASA-N 1 2 299.371 -1.197 20 0 CAADLO O=C(CNC(=O)C1CC1)N[C@@H]1C[N@H+](CCF)C[C@@H]1O ZINC001219257595 780205140 /nfs/dbraw/zinc/20/51/40/780205140.db2.gz KQTFTMWSIJAILE-ZJUUUORDSA-N 1 2 273.308 -1.357 20 0 CAADLO COCCCC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(N)=O)C[C@@H]1O ZINC001219257919 780205184 /nfs/dbraw/zinc/20/51/84/780205184.db2.gz ZTFGHCYILNNAOH-BBBLOLIVSA-N 1 2 273.333 -1.552 20 0 CAADLO COCCCC(=O)N[C@@H]1C[N@H+]([C@H](C)C(N)=O)C[C@@H]1O ZINC001219257919 780205190 /nfs/dbraw/zinc/20/51/90/780205190.db2.gz ZTFGHCYILNNAOH-BBBLOLIVSA-N 1 2 273.333 -1.552 20 0 CAADLO COC(=O)NCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(N)=O)C[C@@H]1O ZINC001219272641 780205544 /nfs/dbraw/zinc/20/55/44/780205544.db2.gz QRIYVODFVVLWTI-RNJXMRFFSA-N 1 2 288.304 -2.623 20 0 CAADLO COC(=O)NCC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(N)=O)C[C@@H]1O ZINC001219272641 780205547 /nfs/dbraw/zinc/20/55/47/780205547.db2.gz QRIYVODFVVLWTI-RNJXMRFFSA-N 1 2 288.304 -2.623 20 0 CAADLO CC(C)C[N@H+]1C[C@@H](NC(=O)CS(C)(=O)=O)[C@@H](O)C1 ZINC001219290787 780205833 /nfs/dbraw/zinc/20/58/33/780205833.db2.gz FTAUOVDFRYZXRU-ZJUUUORDSA-N 1 2 278.374 -1.152 20 0 CAADLO CC(C)C[N@@H+]1C[C@@H](NC(=O)CS(C)(=O)=O)[C@@H](O)C1 ZINC001219290787 780205844 /nfs/dbraw/zinc/20/58/44/780205844.db2.gz FTAUOVDFRYZXRU-ZJUUUORDSA-N 1 2 278.374 -1.152 20 0 CAADLO CCN(C)C(=O)C[N@H+]1C[C@@H](NC(=O)[C@@H]2CCOC2)[C@@H](O)C1 ZINC001219312359 780207745 /nfs/dbraw/zinc/20/77/45/780207745.db2.gz GDXWZHZYECBHAM-UTUOFQBUSA-N 1 2 299.371 -1.338 20 0 CAADLO CCN(C)C(=O)C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCOC2)[C@@H](O)C1 ZINC001219312359 780207748 /nfs/dbraw/zinc/20/77/48/780207748.db2.gz GDXWZHZYECBHAM-UTUOFQBUSA-N 1 2 299.371 -1.338 20 0 CAADLO CC(C)OCC(=O)N[C@@H]1C[N@@H+]([C@H]2CCCNC2=O)C[C@@H]1O ZINC001219311071 780207870 /nfs/dbraw/zinc/20/78/70/780207870.db2.gz OTUKISAASJUILJ-WOPDTQHZSA-N 1 2 299.371 -1.149 20 0 CAADLO CC(C)OCC(=O)N[C@@H]1C[N@H+]([C@H]2CCCNC2=O)C[C@@H]1O ZINC001219311071 780207875 /nfs/dbraw/zinc/20/78/75/780207875.db2.gz OTUKISAASJUILJ-WOPDTQHZSA-N 1 2 299.371 -1.149 20 0 CAADLO CC(C)OCC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@@H]1O ZINC001219311207 780207885 /nfs/dbraw/zinc/20/78/85/780207885.db2.gz SDENNKUZGFQKEP-MXWKQRLJSA-N 1 2 285.344 -1.539 20 0 CAADLO CC(C)OCC(=O)N[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@@H]1O ZINC001219311207 780207890 /nfs/dbraw/zinc/20/78/90/780207890.db2.gz SDENNKUZGFQKEP-MXWKQRLJSA-N 1 2 285.344 -1.539 20 0 CAADLO CS(=O)(=O)CC(=O)N[C@@H]1C[N@H+](CC2CC2)C[C@@H]1O ZINC001219302809 780207908 /nfs/dbraw/zinc/20/79/08/780207908.db2.gz XBUIZZZYUPYRFR-ZJUUUORDSA-N 1 2 276.358 -1.398 20 0 CAADLO CS(=O)(=O)CC(=O)N[C@@H]1C[N@@H+](CC2CC2)C[C@@H]1O ZINC001219302809 780207913 /nfs/dbraw/zinc/20/79/13/780207913.db2.gz XBUIZZZYUPYRFR-ZJUUUORDSA-N 1 2 276.358 -1.398 20 0 CAADLO CCCOCC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)NC)C[C@@H]1O ZINC001219316810 780208607 /nfs/dbraw/zinc/20/86/07/780208607.db2.gz YMFVNVQEDYDUHC-MXWKQRLJSA-N 1 2 287.360 -1.291 20 0 CAADLO CCCOCC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)NC)C[C@@H]1O ZINC001219316810 780208616 /nfs/dbraw/zinc/20/86/16/780208616.db2.gz YMFVNVQEDYDUHC-MXWKQRLJSA-N 1 2 287.360 -1.291 20 0 CAADLO CC(C)OCC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCN(C)C2=O)C[C@@H]1O ZINC001219315303 780208775 /nfs/dbraw/zinc/20/87/75/780208775.db2.gz ZLCOGNWMIUCGFE-UTUOFQBUSA-N 1 2 299.371 -1.197 20 0 CAADLO CC(C)OCC(=O)N[C@@H]1C[N@H+]([C@@H]2CCN(C)C2=O)C[C@@H]1O ZINC001219315303 780208781 /nfs/dbraw/zinc/20/87/81/780208781.db2.gz ZLCOGNWMIUCGFE-UTUOFQBUSA-N 1 2 299.371 -1.197 20 0 CAADLO CCCOCC(=O)N[C@@H]1C[N@@H+]([C@H]2CCN(C)C2=O)C[C@@H]1O ZINC001219316264 780208929 /nfs/dbraw/zinc/20/89/29/780208929.db2.gz FFVUKIVRPVOCSE-WOPDTQHZSA-N 1 2 299.371 -1.195 20 0 CAADLO CCCOCC(=O)N[C@@H]1C[N@H+]([C@H]2CCN(C)C2=O)C[C@@H]1O ZINC001219316264 780208938 /nfs/dbraw/zinc/20/89/38/780208938.db2.gz FFVUKIVRPVOCSE-WOPDTQHZSA-N 1 2 299.371 -1.195 20 0 CAADLO CCCOCC(=O)N[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@@H]1O ZINC001219316761 780209789 /nfs/dbraw/zinc/20/97/89/780209789.db2.gz XBKXPQLAHAHYCQ-MNOVXSKESA-N 1 2 287.360 -1.338 20 0 CAADLO CCCOCC(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@@H]1O ZINC001219316761 780209794 /nfs/dbraw/zinc/20/97/94/780209794.db2.gz XBKXPQLAHAHYCQ-MNOVXSKESA-N 1 2 287.360 -1.338 20 0 CAADLO COCCCCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(N)=O)C[C@@H]1O ZINC001219336758 780210401 /nfs/dbraw/zinc/21/04/01/780210401.db2.gz IHLSDUZOQKBAHW-AXFHLTTASA-N 1 2 287.360 -1.162 20 0 CAADLO COCCCCC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(N)=O)C[C@@H]1O ZINC001219336758 780210406 /nfs/dbraw/zinc/21/04/06/780210406.db2.gz IHLSDUZOQKBAHW-AXFHLTTASA-N 1 2 287.360 -1.162 20 0 CAADLO CCNC(=O)C[N@H+]1C[C@@H](NC(=O)CCOCC)[C@@H](O)C1 ZINC001219347248 780210526 /nfs/dbraw/zinc/21/05/26/780210526.db2.gz DFJDMILFQZMSRC-MNOVXSKESA-N 1 2 287.360 -1.290 20 0 CAADLO CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)CCOCC)[C@@H](O)C1 ZINC001219347248 780210533 /nfs/dbraw/zinc/21/05/33/780210533.db2.gz DFJDMILFQZMSRC-MNOVXSKESA-N 1 2 287.360 -1.290 20 0 CAADLO CCOCCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC)C[C@@H]1O ZINC001219350918 780210684 /nfs/dbraw/zinc/21/06/84/780210684.db2.gz RBBDPOSVVSBGHU-AXFHLTTASA-N 1 2 287.360 -1.291 20 0 CAADLO CCOCCC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)NC)C[C@@H]1O ZINC001219350918 780210689 /nfs/dbraw/zinc/21/06/89/780210689.db2.gz RBBDPOSVVSBGHU-AXFHLTTASA-N 1 2 287.360 -1.291 20 0 CAADLO CO[C@@H](C)CC(=O)N[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@@H]1O ZINC001219338975 780211307 /nfs/dbraw/zinc/21/13/07/780211307.db2.gz NIVOCSLDTXIXKH-AXFHLTTASA-N 1 2 287.360 -1.339 20 0 CAADLO CO[C@@H](C)CC(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@@H]1O ZINC001219338975 780211314 /nfs/dbraw/zinc/21/13/14/780211314.db2.gz NIVOCSLDTXIXKH-AXFHLTTASA-N 1 2 287.360 -1.339 20 0 CAADLO CCOCCC(=O)N[C@@H]1C[N@@H+]([C@H]2CCN(C)C2=O)C[C@@H]1O ZINC001219352257 780213325 /nfs/dbraw/zinc/21/33/25/780213325.db2.gz SUQSQVCXQRJGHJ-WOPDTQHZSA-N 1 2 299.371 -1.195 20 0 CAADLO CCOCCC(=O)N[C@@H]1C[N@H+]([C@H]2CCN(C)C2=O)C[C@@H]1O ZINC001219352257 780213326 /nfs/dbraw/zinc/21/33/26/780213326.db2.gz SUQSQVCXQRJGHJ-WOPDTQHZSA-N 1 2 299.371 -1.195 20 0 CAADLO CN(C(=O)C[N@H+]1C[C@@H](NC(=O)CC(N)=O)[C@@H](O)C1)C1CC1 ZINC001219402954 780215896 /nfs/dbraw/zinc/21/58/96/780215896.db2.gz NDAPLIAJYODLMD-ZJUUUORDSA-N 1 2 298.343 -2.356 20 0 CAADLO CN(C(=O)C[N@@H+]1C[C@@H](NC(=O)CC(N)=O)[C@@H](O)C1)C1CC1 ZINC001219402954 780215905 /nfs/dbraw/zinc/21/59/05/780215905.db2.gz NDAPLIAJYODLMD-ZJUUUORDSA-N 1 2 298.343 -2.356 20 0 CAADLO NC(=O)CC(=O)N[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@@H]1O ZINC001219402963 780216299 /nfs/dbraw/zinc/21/62/99/780216299.db2.gz NIGHXRIPPATUPN-CSMHCCOUSA-N 1 2 270.289 -3.088 20 0 CAADLO NC(=O)CC(=O)N[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@@H]1O ZINC001219402963 780216306 /nfs/dbraw/zinc/21/63/06/780216306.db2.gz NIGHXRIPPATUPN-CSMHCCOUSA-N 1 2 270.289 -3.088 20 0 CAADLO CCNC(=O)C[N@H+]1C[C@@H](NC(=O)C[C@@H]2CCOC2)[C@@H](O)C1 ZINC001219399042 780216336 /nfs/dbraw/zinc/21/63/36/780216336.db2.gz HKNIRNWGGYALGL-TUAOUCFPSA-N 1 2 299.371 -1.290 20 0 CAADLO CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)C[C@@H]2CCOC2)[C@@H](O)C1 ZINC001219399042 780216344 /nfs/dbraw/zinc/21/63/44/780216344.db2.gz HKNIRNWGGYALGL-TUAOUCFPSA-N 1 2 299.371 -1.290 20 0 CAADLO Cc1ncc(C[N@H+]2C[C@@H](NC(=O)CC(N)=O)[C@@H](O)C2)cn1 ZINC001219412667 780218008 /nfs/dbraw/zinc/21/80/08/780218008.db2.gz BQUBQENJOINILK-MNOVXSKESA-N 1 2 293.327 -1.678 20 0 CAADLO Cc1ncc(C[N@@H+]2C[C@@H](NC(=O)CC(N)=O)[C@@H](O)C2)cn1 ZINC001219412667 780218014 /nfs/dbraw/zinc/21/80/14/780218014.db2.gz BQUBQENJOINILK-MNOVXSKESA-N 1 2 293.327 -1.678 20 0 CAADLO NC(=O)CC(=O)N[C@@H]1C[N@H+](C/C=C/Cl)C[C@@H]1O ZINC001219403929 780218544 /nfs/dbraw/zinc/21/85/44/780218544.db2.gz AFAZEACRKLHGTQ-FLPBZWPXSA-N 1 2 261.709 -1.224 20 0 CAADLO NC(=O)CC(=O)N[C@@H]1C[N@@H+](C/C=C/Cl)C[C@@H]1O ZINC001219403929 780218552 /nfs/dbraw/zinc/21/85/52/780218552.db2.gz AFAZEACRKLHGTQ-FLPBZWPXSA-N 1 2 261.709 -1.224 20 0 CAADLO Cc1nc(C)c(C[N@H+]2C[C@@H](NC(=O)CC(N)=O)[C@@H](O)C2)o1 ZINC001219413661 780218998 /nfs/dbraw/zinc/21/89/98/780218998.db2.gz YXUPTWLHLPWYLT-ZJUUUORDSA-N 1 2 296.327 -1.172 20 0 CAADLO Cc1nc(C)c(C[N@@H+]2C[C@@H](NC(=O)CC(N)=O)[C@@H](O)C2)o1 ZINC001219413661 780219005 /nfs/dbraw/zinc/21/90/05/780219005.db2.gz YXUPTWLHLPWYLT-ZJUUUORDSA-N 1 2 296.327 -1.172 20 0 CAADLO CNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)CC(N)=O)[C@@H](O)C1 ZINC001219412851 780219263 /nfs/dbraw/zinc/21/92/63/780219263.db2.gz FWKZQGHOPGNGNF-RNJXMRFFSA-N 1 2 272.305 -2.842 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)CC(N)=O)[C@@H](O)C1 ZINC001219412851 780219272 /nfs/dbraw/zinc/21/92/72/780219272.db2.gz FWKZQGHOPGNGNF-RNJXMRFFSA-N 1 2 272.305 -2.842 20 0 CAADLO C[C@H](c1cnccn1)[N@H+]1C[C@@H](NC(=O)CC(N)=O)[C@@H](O)C1 ZINC001219413174 780219503 /nfs/dbraw/zinc/21/95/03/780219503.db2.gz LGAWHQPJXIDJSG-IEBDPFPHSA-N 1 2 293.327 -1.426 20 0 CAADLO C[C@H](c1cnccn1)[N@@H+]1C[C@@H](NC(=O)CC(N)=O)[C@@H](O)C1 ZINC001219413174 780219511 /nfs/dbraw/zinc/21/95/11/780219511.db2.gz LGAWHQPJXIDJSG-IEBDPFPHSA-N 1 2 293.327 -1.426 20 0 CAADLO Cc1cc(C[N@H+]2C[C@@H](NC(=O)CC(N)=O)[C@@H](O)C2)ncn1 ZINC001219413595 780219675 /nfs/dbraw/zinc/21/96/75/780219675.db2.gz WLJUALZVNVRUFC-MNOVXSKESA-N 1 2 293.327 -1.678 20 0 CAADLO Cc1cc(C[N@@H+]2C[C@@H](NC(=O)CC(N)=O)[C@@H](O)C2)ncn1 ZINC001219413595 780219682 /nfs/dbraw/zinc/21/96/82/780219682.db2.gz WLJUALZVNVRUFC-MNOVXSKESA-N 1 2 293.327 -1.678 20 0 CAADLO CC[C@@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)CC(N)=O)[C@@H](O)C1 ZINC001219413180 780219794 /nfs/dbraw/zinc/21/97/94/780219794.db2.gz LJSLHXUUKWCKKV-CSMHCCOUSA-N 1 2 272.305 -2.713 20 0 CAADLO CC[C@@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)CC(N)=O)[C@@H](O)C1 ZINC001219413180 780219799 /nfs/dbraw/zinc/21/97/99/780219799.db2.gz LJSLHXUUKWCKKV-CSMHCCOUSA-N 1 2 272.305 -2.713 20 0 CAADLO NC(=O)CC(=O)N[C@@H]1C[N@H+](Cc2cncs2)C[C@@H]1O ZINC001219413562 780219903 /nfs/dbraw/zinc/21/99/03/780219903.db2.gz UUWUHRGPZICAOH-BDAKNGLRSA-N 1 2 284.341 -1.320 20 0 CAADLO NC(=O)CC(=O)N[C@@H]1C[N@@H+](Cc2cncs2)C[C@@H]1O ZINC001219413562 780219909 /nfs/dbraw/zinc/21/99/09/780219909.db2.gz UUWUHRGPZICAOH-BDAKNGLRSA-N 1 2 284.341 -1.320 20 0 CAADLO C/C=C(/C)C(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(N)=O)C[C@@H]1O ZINC001219443100 780221160 /nfs/dbraw/zinc/22/11/60/780221160.db2.gz IFSVSVSZPGOBNO-XACGRALZSA-N 1 2 255.318 -1.012 20 0 CAADLO C/C=C(/C)C(=O)N[C@@H]1C[N@H+]([C@@H](C)C(N)=O)C[C@@H]1O ZINC001219443100 780221164 /nfs/dbraw/zinc/22/11/64/780221164.db2.gz IFSVSVSZPGOBNO-XACGRALZSA-N 1 2 255.318 -1.012 20 0 CAADLO C/C=C(/C)C(=O)N[C@@H]1C[N@@H+]([C@@H]2CCC(=O)NC2=O)C[C@@H]1O ZINC001219443660 780221261 /nfs/dbraw/zinc/22/12/61/780221261.db2.gz WRKIUTOXTRICSO-NCJWEAQRSA-N 1 2 295.339 -1.081 20 0 CAADLO C/C=C(/C)C(=O)N[C@@H]1C[N@H+]([C@@H]2CCC(=O)NC2=O)C[C@@H]1O ZINC001219443660 780221264 /nfs/dbraw/zinc/22/12/64/780221264.db2.gz WRKIUTOXTRICSO-NCJWEAQRSA-N 1 2 295.339 -1.081 20 0 CAADLO CNC(=O)C[N@H+]1C[C@@H](NC(=O)/C=C\C2CC2)[C@@H](O)C1 ZINC001219429028 780221673 /nfs/dbraw/zinc/22/16/73/780221673.db2.gz VJJGRESVWCDBDT-KWKBKKAHSA-N 1 2 267.329 -1.140 20 0 CAADLO CNC(=O)C[N@@H+]1C[C@@H](NC(=O)/C=C\C2CC2)[C@@H](O)C1 ZINC001219429028 780221676 /nfs/dbraw/zinc/22/16/76/780221676.db2.gz VJJGRESVWCDBDT-KWKBKKAHSA-N 1 2 267.329 -1.140 20 0 CAADLO C/C=C(/C)C(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC(N)=O)C[C@@H]1O ZINC001219448301 780222197 /nfs/dbraw/zinc/22/21/97/780222197.db2.gz SLRVQZZFCMHEIP-XACGRALZSA-N 1 2 298.343 -1.303 20 0 CAADLO C/C=C(/C)C(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)NC(N)=O)C[C@@H]1O ZINC001219448301 780222201 /nfs/dbraw/zinc/22/22/01/780222201.db2.gz SLRVQZZFCMHEIP-XACGRALZSA-N 1 2 298.343 -1.303 20 0 CAADLO CC(C)(C)OCC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@@H]1O ZINC001219488678 780223264 /nfs/dbraw/zinc/22/32/64/780223264.db2.gz QQPMNVKOANTHNC-MXWKQRLJSA-N 1 2 299.371 -1.149 20 0 CAADLO CC(C)(C)OCC(=O)N[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@@H]1O ZINC001219488678 780223269 /nfs/dbraw/zinc/22/32/69/780223269.db2.gz QQPMNVKOANTHNC-MXWKQRLJSA-N 1 2 299.371 -1.149 20 0 CAADLO CCNC(=O)CC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@@H]1O ZINC001219494306 780223804 /nfs/dbraw/zinc/22/38/04/780223804.db2.gz OWYBZFBTVYYGSQ-BBBLOLIVSA-N 1 2 298.343 -2.438 20 0 CAADLO CCNC(=O)CC(=O)N[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@@H]1O ZINC001219494306 780223806 /nfs/dbraw/zinc/22/38/06/780223806.db2.gz OWYBZFBTVYYGSQ-BBBLOLIVSA-N 1 2 298.343 -2.438 20 0 CAADLO CNC(=O)CC(=O)N[C@@H]1C[N@H+](Cc2ccnn2C)C[C@@H]1O ZINC001219508164 780224444 /nfs/dbraw/zinc/22/44/44/780224444.db2.gz PBDDTMBHODBACY-MNOVXSKESA-N 1 2 295.343 -1.783 20 0 CAADLO CNC(=O)CC(=O)N[C@@H]1C[N@@H+](Cc2ccnn2C)C[C@@H]1O ZINC001219508164 780224448 /nfs/dbraw/zinc/22/44/48/780224448.db2.gz PBDDTMBHODBACY-MNOVXSKESA-N 1 2 295.343 -1.783 20 0 CAADLO CNC(=O)CC(=O)N[C@@H]1C[N@H+](Cc2ocnc2C)C[C@@H]1O ZINC001219510072 780224872 /nfs/dbraw/zinc/22/48/72/780224872.db2.gz IAXYESDTWNDAFW-ZJUUUORDSA-N 1 2 296.327 -1.220 20 0 CAADLO CNC(=O)CC(=O)N[C@@H]1C[N@@H+](Cc2ocnc2C)C[C@@H]1O ZINC001219510072 780224879 /nfs/dbraw/zinc/22/48/79/780224879.db2.gz IAXYESDTWNDAFW-ZJUUUORDSA-N 1 2 296.327 -1.220 20 0 CAADLO CNC(=O)CC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(N)=O)C[C@@H]1O ZINC001219508090 780225339 /nfs/dbraw/zinc/22/53/39/780225339.db2.gz LZUBPGZGIGDPGJ-RNJXMRFFSA-N 1 2 272.305 -2.842 20 0 CAADLO CNC(=O)CC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(N)=O)C[C@@H]1O ZINC001219508090 780225346 /nfs/dbraw/zinc/22/53/46/780225346.db2.gz LZUBPGZGIGDPGJ-RNJXMRFFSA-N 1 2 272.305 -2.842 20 0 CAADLO CNC(=O)CC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@@H]1O ZINC001219509742 780225388 /nfs/dbraw/zinc/22/53/88/780225388.db2.gz BCEPRVZJZUZBEX-HLTSFMKQSA-N 1 2 284.316 -2.828 20 0 CAADLO CNC(=O)CC(=O)N[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@@H]1O ZINC001219509742 780225399 /nfs/dbraw/zinc/22/53/99/780225399.db2.gz BCEPRVZJZUZBEX-HLTSFMKQSA-N 1 2 284.316 -2.828 20 0 CAADLO CNC(=O)CC(=O)N[C@@H]1C[N@H+](Cc2cc(C)no2)C[C@@H]1O ZINC001219508264 780225472 /nfs/dbraw/zinc/22/54/72/780225472.db2.gz UQOHTJNITYXXBY-MNOVXSKESA-N 1 2 296.327 -1.220 20 0 CAADLO CNC(=O)CC(=O)N[C@@H]1C[N@@H+](Cc2cc(C)no2)C[C@@H]1O ZINC001219508264 780225478 /nfs/dbraw/zinc/22/54/78/780225478.db2.gz UQOHTJNITYXXBY-MNOVXSKESA-N 1 2 296.327 -1.220 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)CCn2ccnn2)[C@@H](O)C1 ZINC001219517314 780227378 /nfs/dbraw/zinc/22/73/78/780227378.db2.gz ULKRCJKHVFTHQB-BBBLOLIVSA-N 1 2 296.331 -2.297 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)CCn2ccnn2)[C@@H](O)C1 ZINC001219517314 780227384 /nfs/dbraw/zinc/22/73/84/780227384.db2.gz ULKRCJKHVFTHQB-BBBLOLIVSA-N 1 2 296.331 -2.297 20 0 CAADLO COC1(CC(=O)N[C@@H]2C[N@@H+]([C@H](C)C(N)=O)C[C@@H]2O)CCC1 ZINC001219532078 780227599 /nfs/dbraw/zinc/22/75/99/780227599.db2.gz IDLXXTTXLIAEOJ-MXWKQRLJSA-N 1 2 299.371 -1.019 20 0 CAADLO COC1(CC(=O)N[C@@H]2C[N@H+]([C@H](C)C(N)=O)C[C@@H]2O)CCC1 ZINC001219532078 780227604 /nfs/dbraw/zinc/22/76/04/780227604.db2.gz IDLXXTTXLIAEOJ-MXWKQRLJSA-N 1 2 299.371 -1.019 20 0 CAADLO C[C@H](NC(N)=O)C(=O)N[C@@H]1C[N@H+](C/C=C/Cl)C[C@@H]1O ZINC001219521748 780227662 /nfs/dbraw/zinc/22/76/62/780227662.db2.gz VKRQKZMUTILIIP-OSRGCDQLSA-N 1 2 290.751 -1.043 20 0 CAADLO C[C@H](NC(N)=O)C(=O)N[C@@H]1C[N@@H+](C/C=C/Cl)C[C@@H]1O ZINC001219521748 780227665 /nfs/dbraw/zinc/22/76/65/780227665.db2.gz VKRQKZMUTILIIP-OSRGCDQLSA-N 1 2 290.751 -1.043 20 0 CAADLO CCNC(=O)C[N@H+]1C[C@@H](NC(=O)CC(C)(C)O)[C@@H](O)C1 ZINC001219548793 780228215 /nfs/dbraw/zinc/22/82/15/780228215.db2.gz DFBHIHCXLOMPQP-ZJUUUORDSA-N 1 2 287.360 -1.555 20 0 CAADLO CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)CC(C)(C)O)[C@@H](O)C1 ZINC001219548793 780228218 /nfs/dbraw/zinc/22/82/18/780228218.db2.gz DFBHIHCXLOMPQP-ZJUUUORDSA-N 1 2 287.360 -1.555 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)CC(C)(C)O)[C@@H](O)C1 ZINC001219549514 780228631 /nfs/dbraw/zinc/22/86/31/780228631.db2.gz YDJVQXOCXHSOPI-YIZRAAEISA-N 1 2 273.333 -1.818 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)CC(C)(C)O)[C@@H](O)C1 ZINC001219549514 780228640 /nfs/dbraw/zinc/22/86/40/780228640.db2.gz YDJVQXOCXHSOPI-YIZRAAEISA-N 1 2 273.333 -1.818 20 0 CAADLO CC(C)(O)CC(=O)N[C@@H]1C[N@H+](CC(=O)NC2CC2)C[C@@H]1O ZINC001219548854 780228814 /nfs/dbraw/zinc/22/88/14/780228814.db2.gz GHDSYYROHYYMOO-MNOVXSKESA-N 1 2 299.371 -1.413 20 0 CAADLO CC(C)(O)CC(=O)N[C@@H]1C[N@@H+](CC(=O)NC2CC2)C[C@@H]1O ZINC001219548854 780228820 /nfs/dbraw/zinc/22/88/20/780228820.db2.gz GHDSYYROHYYMOO-MNOVXSKESA-N 1 2 299.371 -1.413 20 0 CAADLO CC(C)(O)CC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@@H]1O ZINC001219549224 780229159 /nfs/dbraw/zinc/22/91/59/780229159.db2.gz PTLRUGIKPANNAM-BBBLOLIVSA-N 1 2 285.344 -1.803 20 0 CAADLO CC(C)(O)CC(=O)N[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@@H]1O ZINC001219549224 780229170 /nfs/dbraw/zinc/22/91/70/780229170.db2.gz PTLRUGIKPANNAM-BBBLOLIVSA-N 1 2 285.344 -1.803 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)CC(C)(C)O)[C@@H](O)C1 ZINC001219549513 780229375 /nfs/dbraw/zinc/22/93/75/780229375.db2.gz YDJVQXOCXHSOPI-HLTSFMKQSA-N 1 2 273.333 -1.818 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)CC(C)(C)O)[C@@H](O)C1 ZINC001219549513 780229383 /nfs/dbraw/zinc/22/93/83/780229383.db2.gz YDJVQXOCXHSOPI-HLTSFMKQSA-N 1 2 273.333 -1.818 20 0 CAADLO CC(C)(O)CC(=O)N[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@@H]1O ZINC001219549225 780229578 /nfs/dbraw/zinc/22/95/78/780229578.db2.gz PTLRUGIKPANNAM-UTLUCORTSA-N 1 2 285.344 -1.803 20 0 CAADLO CC(C)(O)CC(=O)N[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@@H]1O ZINC001219549225 780229585 /nfs/dbraw/zinc/22/95/85/780229585.db2.gz PTLRUGIKPANNAM-UTLUCORTSA-N 1 2 285.344 -1.803 20 0 CAADLO [NH3+][C@@H](Cc1nn[nH]n1)C(=O)NCCN1CCCCC1=O ZINC001219567416 780232295 /nfs/dbraw/zinc/23/22/95/780232295.db2.gz JVJIZGRKOMMGGH-QMMMGPOBSA-N 1 2 281.320 -1.802 20 0 CAADLO CCOCC[N@H+]1C[C@@H](NC(=O)Cc2n[nH]c(C)n2)[C@@H](O)C1 ZINC001219587400 780234373 /nfs/dbraw/zinc/23/43/73/780234373.db2.gz DJXRVMCWAZETJD-MNOVXSKESA-N 1 2 297.359 -1.147 20 0 CAADLO CCOCC[N@@H+]1C[C@@H](NC(=O)Cc2n[nH]c(C)n2)[C@@H](O)C1 ZINC001219587400 780234375 /nfs/dbraw/zinc/23/43/75/780234375.db2.gz DJXRVMCWAZETJD-MNOVXSKESA-N 1 2 297.359 -1.147 20 0 CAADLO CS(=O)(=O)N(CC[NH3+])C(=O)C(N)C(F)(F)F ZINC001219595430 780235036 /nfs/dbraw/zinc/23/50/36/780235036.db2.gz ABDPEEXZXPGCRZ-BYPYZUCNSA-N 1 2 263.241 -1.377 20 0 CAADLO Cc1ccnc(CNC(=O)[C@@H]([NH3+])Cc2nn[nH]n2)n1 ZINC001219600161 780236767 /nfs/dbraw/zinc/23/67/67/780236767.db2.gz JWTWBGLEMPCGBW-ZETCQYMHSA-N 1 2 262.277 -1.516 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)CCOCC2CC2)[C@@H](O)C1 ZINC001219615043 780237812 /nfs/dbraw/zinc/23/78/12/780237812.db2.gz DEHVACLIEFNHRM-WCQGTBRESA-N 1 2 299.371 -1.162 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)CCOCC2CC2)[C@@H](O)C1 ZINC001219615043 780237819 /nfs/dbraw/zinc/23/78/19/780237819.db2.gz DEHVACLIEFNHRM-WCQGTBRESA-N 1 2 299.371 -1.162 20 0 CAADLO C[C@@H](CC(=O)N[C@@H]1C[N@H+](CCF)C[C@@H]1O)NC(N)=O ZINC001219620864 780242090 /nfs/dbraw/zinc/24/20/90/780242090.db2.gz OKPLNAHYBLIJMH-YIZRAAEISA-N 1 2 276.312 -1.436 20 0 CAADLO C[C@@H](CC(=O)N[C@@H]1C[N@@H+](CCF)C[C@@H]1O)NC(N)=O ZINC001219620864 780242097 /nfs/dbraw/zinc/24/20/97/780242097.db2.gz OKPLNAHYBLIJMH-YIZRAAEISA-N 1 2 276.312 -1.436 20 0 CAADLO C[C@H]1OCC[C@H]1CNC(=O)[C@@H]([NH3+])Cc1nn[nH]n1 ZINC001219633685 780243865 /nfs/dbraw/zinc/24/38/65/780243865.db2.gz CCKDDYRUEKQBKZ-CSMHCCOUSA-N 1 2 254.294 -1.389 20 0 CAADLO [NH3+][C@@H](Cc1nn[nH]n1)C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC001219671984 780247173 /nfs/dbraw/zinc/24/71/73/780247173.db2.gz YUXMUGIJZVTHQQ-WDSKDSINSA-N 1 2 274.306 -2.627 20 0 CAADLO [NH3+][C@@H](Cc1nn[nH]n1)C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC001219671983 780247621 /nfs/dbraw/zinc/24/76/21/780247621.db2.gz YUXMUGIJZVTHQQ-RITPCOANSA-N 1 2 274.306 -2.627 20 0 CAADLO C[C@@H](O)[C@H]1C(=O)N[C@@H]1[C@@H](C)C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC001219694142 780248306 /nfs/dbraw/zinc/24/83/06/780248306.db2.gz FWFMKHBQDCRCSA-RMPHRYRLSA-N 1 2 299.371 -1.435 20 0 CAADLO C[C@@H](O)[C@H]1C(=O)N[C@@H]1[C@@H](C)C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC001219694142 780248309 /nfs/dbraw/zinc/24/83/09/780248309.db2.gz FWFMKHBQDCRCSA-RMPHRYRLSA-N 1 2 299.371 -1.435 20 0 CAADLO Nc1nc(=O)[nH]cc1NC(=O)[C@@H]([NH3+])Cc1nn[nH]n1 ZINC001219701025 780251606 /nfs/dbraw/zinc/25/16/06/780251606.db2.gz HXCKVIFKYZMRHR-VKHMYHEASA-N 1 2 265.237 -2.214 20 0 CAADLO CNC(=O)NCC(=O)N[C@@H]1C[N@H+](C/C=C\Cl)C[C@@H]1O ZINC001219751883 780256716 /nfs/dbraw/zinc/25/67/16/780256716.db2.gz GWYTWEOODZPSFH-HVSMVGKISA-N 1 2 290.751 -1.171 20 0 CAADLO CNC(=O)NCC(=O)N[C@@H]1C[N@@H+](C/C=C\Cl)C[C@@H]1O ZINC001219751883 780256725 /nfs/dbraw/zinc/25/67/25/780256725.db2.gz GWYTWEOODZPSFH-HVSMVGKISA-N 1 2 290.751 -1.171 20 0 CAADLO CNC(=O)NCC(=O)N[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@@H]1O ZINC001219753699 780258516 /nfs/dbraw/zinc/25/85/16/780258516.db2.gz GSDVOOMODCZXOB-VGMNWLOBSA-N 1 2 299.331 -3.035 20 0 CAADLO CNC(=O)NCC(=O)N[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@@H]1O ZINC001219753699 780258523 /nfs/dbraw/zinc/25/85/23/780258523.db2.gz GSDVOOMODCZXOB-VGMNWLOBSA-N 1 2 299.331 -3.035 20 0 CAADLO CNC(=O)NCC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(N)=O)C[C@@H]1O ZINC001219752137 780259826 /nfs/dbraw/zinc/25/98/26/780259826.db2.gz RHDUHRUVNRMEDW-PRJMDXOYSA-N 1 2 287.320 -3.050 20 0 CAADLO CNC(=O)NCC(=O)N[C@@H]1C[N@H+]([C@H](C)C(N)=O)C[C@@H]1O ZINC001219752137 780259829 /nfs/dbraw/zinc/25/98/29/780259829.db2.gz RHDUHRUVNRMEDW-PRJMDXOYSA-N 1 2 287.320 -3.050 20 0 CAADLO CNC(=O)NCC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@@H]1O ZINC001219753698 780259888 /nfs/dbraw/zinc/25/98/88/780259888.db2.gz GSDVOOMODCZXOB-HLTSFMKQSA-N 1 2 299.331 -3.035 20 0 CAADLO CNC(=O)NCC(=O)N[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@@H]1O ZINC001219753698 780259894 /nfs/dbraw/zinc/25/98/94/780259894.db2.gz GSDVOOMODCZXOB-HLTSFMKQSA-N 1 2 299.331 -3.035 20 0 CAADLO CC(C)(C(N)=O)C(=O)N[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@@H]1O ZINC001219845340 780267600 /nfs/dbraw/zinc/26/76/00/780267600.db2.gz GYZYFDIYLUIXMD-HLTSFMKQSA-N 1 2 298.343 -2.452 20 0 CAADLO CC(C)(C(N)=O)C(=O)N[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@@H]1O ZINC001219845340 780267609 /nfs/dbraw/zinc/26/76/09/780267609.db2.gz GYZYFDIYLUIXMD-HLTSFMKQSA-N 1 2 298.343 -2.452 20 0 CAADLO CC[N@H+](CC(N)=O)Cc1cc(=O)n(C)c(=O)n1C ZINC000191717326 780271856 /nfs/dbraw/zinc/27/18/56/780271856.db2.gz UVGFNXFVFZAGQQ-UHFFFAOYSA-N 1 2 254.290 -1.609 20 0 CAADLO CC[N@@H+](CC(N)=O)Cc1cc(=O)n(C)c(=O)n1C ZINC000191717326 780271862 /nfs/dbraw/zinc/27/18/62/780271862.db2.gz UVGFNXFVFZAGQQ-UHFFFAOYSA-N 1 2 254.290 -1.609 20 0 CAADLO COC(=O)[C@@H]([NH3+])CC(=O)N[C@]12C[C@H]1CN(C(C)=O)C2 ZINC001219890129 780274163 /nfs/dbraw/zinc/27/41/63/780274163.db2.gz FLZHOBIKBNYPHM-AUTRQRHGSA-N 1 2 269.301 -1.386 20 0 CAADLO O=C(N[C@H]1SC(=O)NC1=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1 ZINC001219903836 780275221 /nfs/dbraw/zinc/27/52/21/780275221.db2.gz ILTLHNAGKIZXQN-CRBZEHORSA-N 1 2 270.314 -1.638 20 0 CAADLO O=C(N[C@@H]1SC(=O)NC1=O)[C@]12C[NH2+]C[C@@H]1CCN2 ZINC001219903788 780275348 /nfs/dbraw/zinc/27/53/48/780275348.db2.gz HJYSCJCNYXUIHZ-GYZLHAHLSA-N 1 2 270.314 -1.637 20 0 CAADLO O=C(N[C@@H]1SC(=O)NC1=O)[C@@]12C[NH2+]C[C@H]1CCN2 ZINC001219903790 780275546 /nfs/dbraw/zinc/27/55/46/780275546.db2.gz HJYSCJCNYXUIHZ-VISXPRAWSA-N 1 2 270.314 -1.637 20 0 CAADLO CC(=O)N1C[C@H]2C[C@@]2(NC(=O)[C@@H]([NH3+])Cc2nn[nH]n2)C1 ZINC001219891837 780275609 /nfs/dbraw/zinc/27/56/09/780275609.db2.gz ZPOPKBIUCVHYLS-VHSKPIJISA-N 1 2 279.304 -2.194 20 0 CAADLO [NH3+][C@@H](Cc1nn[nH]n1)C(=O)N[C@H]1C=CS(=O)(=O)C1 ZINC001219945699 780278175 /nfs/dbraw/zinc/27/81/75/780278175.db2.gz QEKSSZPTUHOIBU-WDSKDSINSA-N 1 2 272.290 -2.504 20 0 CAADLO CCOCC[N@H+]1C[C@@H](NC(=O)c2cn[nH]n2)[C@@H](O)C1 ZINC001219937661 780278202 /nfs/dbraw/zinc/27/82/02/780278202.db2.gz JQQBTARUFMFLJA-ZJUUUORDSA-N 1 2 269.305 -1.384 20 0 CAADLO CCOCC[N@@H+]1C[C@@H](NC(=O)c2cn[nH]n2)[C@@H](O)C1 ZINC001219937661 780278207 /nfs/dbraw/zinc/27/82/07/780278207.db2.gz JQQBTARUFMFLJA-ZJUUUORDSA-N 1 2 269.305 -1.384 20 0 CAADLO CCOCC[N@H+]1C[C@@H](NC(=O)c2cnn[nH]2)[C@@H](O)C1 ZINC001219937661 780278216 /nfs/dbraw/zinc/27/82/16/780278216.db2.gz JQQBTARUFMFLJA-ZJUUUORDSA-N 1 2 269.305 -1.384 20 0 CAADLO CCOCC[N@@H+]1C[C@@H](NC(=O)c2cnn[nH]2)[C@@H](O)C1 ZINC001219937661 780278224 /nfs/dbraw/zinc/27/82/24/780278224.db2.gz JQQBTARUFMFLJA-ZJUUUORDSA-N 1 2 269.305 -1.384 20 0 CAADLO Cc1nccn1CCNC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CO ZINC001219934903 780278412 /nfs/dbraw/zinc/27/84/12/780278412.db2.gz SDARHMIGQOGNNF-WPRPVWTQSA-N 1 2 283.332 -1.868 20 0 CAADLO COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)c2cn[nH]n2)[C@@H](O)C1 ZINC001219936148 780279291 /nfs/dbraw/zinc/27/92/91/780279291.db2.gz QPXNVOIUBDIVFN-QNSHHTMESA-N 1 2 285.304 -2.413 20 0 CAADLO COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)c2cn[nH]n2)[C@@H](O)C1 ZINC001219936148 780279298 /nfs/dbraw/zinc/27/92/98/780279298.db2.gz QPXNVOIUBDIVFN-QNSHHTMESA-N 1 2 285.304 -2.413 20 0 CAADLO COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)c2cnn[nH]2)[C@@H](O)C1 ZINC001219936148 780279306 /nfs/dbraw/zinc/27/93/06/780279306.db2.gz QPXNVOIUBDIVFN-QNSHHTMESA-N 1 2 285.304 -2.413 20 0 CAADLO COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)c2cnn[nH]2)[C@@H](O)C1 ZINC001219936148 780279313 /nfs/dbraw/zinc/27/93/13/780279313.db2.gz QPXNVOIUBDIVFN-QNSHHTMESA-N 1 2 285.304 -2.413 20 0 CAADLO Cc1[nH+]ccn1CCNC(=O)[C@@H]([NH3+])Cc1nnn[n-]1 ZINC001219934887 780279655 /nfs/dbraw/zinc/27/96/55/780279655.db2.gz RQCMYMIFTVCJFN-QMMMGPOBSA-N 1 2 264.293 -1.609 20 0 CAADLO [NH3+][C@@H](Cc1nn[nH]n1)C(=O)NC[C@@H]1CCC(=O)N1 ZINC001219959492 780280270 /nfs/dbraw/zinc/28/02/70/780280270.db2.gz XBHNFYVVWYFXIW-WDSKDSINSA-N 1 2 253.266 -2.536 20 0 CAADLO [NH3+][C@@H](Cc1nn[nH]n1)C(=O)NCc1ccc2nonc2c1 ZINC001219962727 780282683 /nfs/dbraw/zinc/28/26/83/780282683.db2.gz HGZGRJRBJPKUFD-ZETCQYMHSA-N 1 2 288.271 -1.078 20 0 CAADLO CNS(=O)(=O)CCNC(=O)C[C@H]([NH3+])C(=O)OC ZINC001219961425 780282935 /nfs/dbraw/zinc/28/29/35/780282935.db2.gz KGLLGCSFNNKXGW-LURJTMIESA-N 1 2 267.307 -2.458 20 0 CAADLO CNS(=O)(=O)CCNC(=O)[C@@H]([NH3+])Cc1nn[nH]n1 ZINC001219961180 780283114 /nfs/dbraw/zinc/28/31/14/780283114.db2.gz INFDGYWDIDUDAX-YFKPBYRVSA-N 1 2 277.310 -3.265 20 0 CAADLO NC(=O)c1ccc(CNC(=O)[C@@H]([NH3+])Cc2nn[nH]n2)cc1 ZINC001219961731 780283272 /nfs/dbraw/zinc/28/32/72/780283272.db2.gz USNFRXSOMAJUIY-VIFPVBQESA-N 1 2 289.299 -1.515 20 0 CAADLO COC(=O)[C@@H]1C[C@@H](NC(=O)[C@@H](N)C(F)(F)F)C[NH2+]1 ZINC001219965761 780283886 /nfs/dbraw/zinc/28/38/86/780283886.db2.gz ZORXRVXTBRQUCO-NGJCXOISSA-N 1 2 269.223 -1.104 20 0 CAADLO [NH3+][C@@H](Cc1nn[nH]n1)C(=O)NCCCc1c[nH][nH]c1=O ZINC001219967680 780284236 /nfs/dbraw/zinc/28/42/36/780284236.db2.gz FNCPTUHDXQUUBE-BQBZGAKWSA-N 1 2 280.292 -2.302 20 0 CAADLO COC(=O)[C@@H]1C[C@@H](NC(=O)c2nc(N)cn2C)C[NH2+]1 ZINC001219968089 780284298 /nfs/dbraw/zinc/28/42/98/780284298.db2.gz VLWWLLDCZRNBKH-RQJHMYQMSA-N 1 2 267.289 -1.364 20 0 CAADLO [NH3+][C@@H](Cc1nn[nH]n1)C(=O)NCCCc1c[nH][nH]c1=O ZINC001219967681 780284949 /nfs/dbraw/zinc/28/49/49/780284949.db2.gz FNCPTUHDXQUUBE-RQJHMYQMSA-N 1 2 280.292 -2.302 20 0 CAADLO [NH3+][C@@H](Cc1nn[nH]n1)C(=O)NC[C@H]1CCCCO1 ZINC001219978981 780286100 /nfs/dbraw/zinc/28/61/00/780286100.db2.gz XGFZTMRIBPMURL-SFYZADRCSA-N 1 2 254.294 -1.245 20 0 CAADLO COC(=O)[C@@H]([NH3+])CC(=O)NC1(CO)CCOCC1 ZINC001220018394 780289691 /nfs/dbraw/zinc/28/96/91/780289691.db2.gz BGLWMKWCWAPHEC-QMMMGPOBSA-N 1 2 260.290 -1.466 20 0 CAADLO COCC(C)(C)C(=O)N[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@@H]1O ZINC001220006257 780289940 /nfs/dbraw/zinc/28/99/40/780289940.db2.gz SJJZMPOQAQADES-VWYCJHECSA-N 1 2 299.371 -1.291 20 0 CAADLO COCC(C)(C)C(=O)N[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@@H]1O ZINC001220006257 780289944 /nfs/dbraw/zinc/28/99/44/780289944.db2.gz SJJZMPOQAQADES-VWYCJHECSA-N 1 2 299.371 -1.291 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)C2(COC)CC2)[C@@H](O)C1 ZINC001220005751 780289996 /nfs/dbraw/zinc/28/99/96/780289996.db2.gz GWKHQJQQINOHCD-MXWKQRLJSA-N 1 2 299.371 -1.291 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)C2(COC)CC2)[C@@H](O)C1 ZINC001220005751 780290002 /nfs/dbraw/zinc/29/00/02/780290002.db2.gz GWKHQJQQINOHCD-MXWKQRLJSA-N 1 2 299.371 -1.291 20 0 CAADLO COC(=O)[C@@H]([NH3+])CC(=O)N[C@@H]1CCC(=O)N(C)C1 ZINC001220007788 780290042 /nfs/dbraw/zinc/29/00/42/780290042.db2.gz XQTUIFSWKGDQBM-SFYZADRCSA-N 1 2 257.290 -1.386 20 0 CAADLO C[C@@H](O)[C@H]1C(=O)N[C@@H]1[C@@H](C)C(=O)NC1C[NH+](C)C1 ZINC001220012739 780291448 /nfs/dbraw/zinc/29/14/48/780291448.db2.gz BGAGDUHVKYVZKR-KHUVANEUSA-N 1 2 255.318 -1.452 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)CCc2ccon2)[C@@H](O)C1 ZINC001220012503 780291909 /nfs/dbraw/zinc/29/19/09/780291909.db2.gz FSZYIOUDWHFDGN-GDPRMGEGSA-N 1 2 296.327 -1.358 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)CCc2ccon2)[C@@H](O)C1 ZINC001220012503 780291918 /nfs/dbraw/zinc/29/19/18/780291918.db2.gz FSZYIOUDWHFDGN-GDPRMGEGSA-N 1 2 296.327 -1.358 20 0 CAADLO CC(C)[C@@](C)(NC(=O)[C@@H]([NH3+])Cc1nn[nH]n1)C(N)=O ZINC001220022756 780292537 /nfs/dbraw/zinc/29/25/37/780292537.db2.gz KMUOIMATDYPVNI-QUBYGPBYSA-N 1 2 269.309 -1.914 20 0 CAADLO [NH3+]C[C@H]([NH3+])c1ccc(C(=O)N[C@@H]2CO[N-]C2=O)cc1 ZINC001220027700 780292933 /nfs/dbraw/zinc/29/29/33/780292933.db2.gz BAIPHJOOBJIEJW-VHSXEESVSA-N 1 2 264.285 -1.195 20 0 CAADLO COC(=O)C1(NC(=O)[C@@H]([NH3+])Cc2nn[nH]n2)CCCC1 ZINC001220049015 780297684 /nfs/dbraw/zinc/29/76/84/780297684.db2.gz ZXFHYXDWNNBQOJ-ZETCQYMHSA-N 1 2 282.304 -1.329 20 0 CAADLO C[C@H]1[C@H](NC(=O)[C@@H]([NH3+])CC[NH3+])C(=O)N1S(=O)(=O)[O-] ZINC001220099613 780302707 /nfs/dbraw/zinc/30/27/07/780302707.db2.gz UUVHNVCUAKURQQ-ZLUOBGJFSA-N 1 2 280.306 -2.819 20 0 CAADLO COC(=O)[C@H](CCC(=O)[O-])NC(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001220104964 780303474 /nfs/dbraw/zinc/30/34/74/780303474.db2.gz QILUIHWRCSOOJN-IUCAKERBSA-N 1 2 298.299 -1.198 20 0 CAADLO COC(=O)[C@H](CCC(=O)[O-])NC(=O)C1([NH3+])CC[NH2+]CC1 ZINC001220105229 780303664 /nfs/dbraw/zinc/30/36/64/780303664.db2.gz XQPRABXKMBEEEA-QMMMGPOBSA-N 1 2 287.316 -1.410 20 0 CAADLO C[C@H](C(N)=O)N1C[C@@H](NC(=O)CCn2cc[nH+]c2)[C@@H](O)C1 ZINC001220103861 780304137 /nfs/dbraw/zinc/30/41/37/780304137.db2.gz MFRBSVVFWLHAOC-MXWKQRLJSA-N 1 2 295.343 -1.692 20 0 CAADLO COC(=O)[C@H](CCC(=O)[O-])NC(=O)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220104970 780304683 /nfs/dbraw/zinc/30/46/83/780304683.db2.gz QOHDIIGLWRIUHQ-RVBZMBCESA-N 1 2 299.327 -1.540 20 0 CAADLO [NH3+][C@@H](Cc1nn[nH]n1)C(=O)NC[C@H](O)c1ccc(O)cc1 ZINC001220112818 780306564 /nfs/dbraw/zinc/30/65/64/780306564.db2.gz BCWOXXAAHXIZRI-UWVGGRQHSA-N 1 2 292.299 -1.375 20 0 CAADLO COC(=O)[C@@H]([NH3+])CCC(=O)N[C@H]1C[C@H](S(C)(=O)=O)C1 ZINC001220138983 780309252 /nfs/dbraw/zinc/30/92/52/780309252.db2.gz LRBKKOIYDCJOMR-CIUDSAMLSA-N 1 2 292.357 -1.041 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)CCCF)[C@@H](O)C1 ZINC001220154976 780314564 /nfs/dbraw/zinc/31/45/64/780314564.db2.gz RTJHNUOBZUOBOM-HLTSFMKQSA-N 1 2 261.297 -1.229 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)CCCF)[C@@H](O)C1 ZINC001220154976 780314570 /nfs/dbraw/zinc/31/45/70/780314570.db2.gz RTJHNUOBZUOBOM-HLTSFMKQSA-N 1 2 261.297 -1.229 20 0 CAADLO [NH3+][C@@H](Cc1nn[nH]n1)C(=O)NC1(CCO)COC1 ZINC001220173282 780315997 /nfs/dbraw/zinc/31/59/97/780315997.db2.gz MDIIFDKZKAUAOE-LURJTMIESA-N 1 2 256.266 -2.663 20 0 CAADLO COC(=O)[C@@H]([NH3+])CC(=O)N[C@@H]1COCCC12OCCO2 ZINC001220173566 780316156 /nfs/dbraw/zinc/31/61/56/780316156.db2.gz PTGZLYXFYSJVIB-DTWKUNHWSA-N 1 2 288.300 -1.475 20 0 CAADLO COC(=O)[C@@H]([NH3+])CC(=O)NCc1ccn(C)c(=O)c1 ZINC001220179978 780317524 /nfs/dbraw/zinc/31/75/24/780317524.db2.gz XMPYQPHJPQHBPP-VIFPVBQESA-N 1 2 267.285 -1.108 20 0 CAADLO C[C@@H](NC(=O)[C@@H]([NH3+])Cc1nn[nH]n1)c1cncnc1 ZINC001220183411 780318661 /nfs/dbraw/zinc/31/86/61/780318661.db2.gz OABRALMMDPDWMF-SVRRBLITSA-N 1 2 262.277 -1.263 20 0 CAADLO [NH3+][C@@H](Cc1nn[nH]n1)C(=O)NC1(c2cccnn2)CC1 ZINC001220210228 780320059 /nfs/dbraw/zinc/32/00/59/780320059.db2.gz VMQGLHCTJZIZFB-ZETCQYMHSA-N 1 2 274.288 -1.335 20 0 CAADLO [NH3+][C@@H](Cc1nn[nH]n1)C(=O)NC[C@H]1CNC(=O)C1 ZINC001220202532 780320132 /nfs/dbraw/zinc/32/01/32/780320132.db2.gz FJKDHOKOFPISSC-RITPCOANSA-N 1 2 253.266 -2.678 20 0 CAADLO COC(=O)[C@@H]([NH3+])CC(=O)NC[C@H]1CC(=O)N(C)C1 ZINC001220245333 780324576 /nfs/dbraw/zinc/32/45/76/780324576.db2.gz OJOPVLPDJHRFQY-SFYZADRCSA-N 1 2 257.290 -1.529 20 0 CAADLO CCCC[C@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)C(N)=O)[C@@H](O)C1 ZINC001220243937 780325690 /nfs/dbraw/zinc/32/56/90/780325690.db2.gz WADICMYQJNYFAK-HLTSFMKQSA-N 1 2 286.332 -2.323 20 0 CAADLO CCCC[C@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)C(N)=O)[C@@H](O)C1 ZINC001220243937 780325691 /nfs/dbraw/zinc/32/56/91/780325691.db2.gz WADICMYQJNYFAK-HLTSFMKQSA-N 1 2 286.332 -2.323 20 0 CAADLO NC(=O)C(=O)N[C@@H]1C[N@H+](CCNC(=O)C2CC2)C[C@@H]1O ZINC001220243418 780325707 /nfs/dbraw/zinc/32/57/07/780325707.db2.gz MUIFFRRUEIZTGK-BDAKNGLRSA-N 1 2 284.316 -2.841 20 0 CAADLO NC(=O)C(=O)N[C@@H]1C[N@@H+](CCNC(=O)C2CC2)C[C@@H]1O ZINC001220243418 780325709 /nfs/dbraw/zinc/32/57/09/780325709.db2.gz MUIFFRRUEIZTGK-BDAKNGLRSA-N 1 2 284.316 -2.841 20 0 CAADLO NS(=O)(=O)CCCC(=O)N[C@@H]1C[N@H+](CCF)C[C@@H]1O ZINC001220249689 780326321 /nfs/dbraw/zinc/32/63/21/780326321.db2.gz WCVLVZYLJUHZQA-BDAKNGLRSA-N 1 2 297.352 -1.814 20 0 CAADLO NS(=O)(=O)CCCC(=O)N[C@@H]1C[N@@H+](CCF)C[C@@H]1O ZINC001220249689 780326327 /nfs/dbraw/zinc/32/63/27/780326327.db2.gz WCVLVZYLJUHZQA-BDAKNGLRSA-N 1 2 297.352 -1.814 20 0 CAADLO O=C(NCc1n[nH]c(=O)[nH]1)[C@@H]1C[C@@H]2CC[NH2+]C[C@H]2O1 ZINC001220251892 780326438 /nfs/dbraw/zinc/32/64/38/780326438.db2.gz JCJNYWSOQCHULM-BIIVOSGPSA-N 1 2 267.289 -1.107 20 0 CAADLO [NH3+][C@H]1CCCCN(CC(=O)NCc2n[nH]c(=O)[nH]2)C1=O ZINC001220252019 780326906 /nfs/dbraw/zinc/32/69/06/780326906.db2.gz LTDSAPAUCZQYET-ZETCQYMHSA-N 1 2 282.304 -1.534 20 0 CAADLO C[S@@](=O)CC[C@H]([NH3+])C(=O)NCc1n[nH]c(=O)[nH]1 ZINC001220251847 780326964 /nfs/dbraw/zinc/32/69/64/780326964.db2.gz HOCWMTWZKUORLE-IEMIWKFJSA-N 1 2 261.307 -1.778 20 0 CAADLO CC[C@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)C2(C(N)=O)CC2)[C@@H](O)C1 ZINC001220257640 780327018 /nfs/dbraw/zinc/32/70/18/780327018.db2.gz IACUPXZWIVOWRD-HLTSFMKQSA-N 1 2 298.343 -2.323 20 0 CAADLO CC[C@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)C2(C(N)=O)CC2)[C@@H](O)C1 ZINC001220257640 780327020 /nfs/dbraw/zinc/32/70/20/780327020.db2.gz IACUPXZWIVOWRD-HLTSFMKQSA-N 1 2 298.343 -2.323 20 0 CAADLO C[S@](=O)CC[C@H]([NH3+])C(=O)NCc1n[nH]c(=O)[nH]1 ZINC001220251846 780327221 /nfs/dbraw/zinc/32/72/21/780327221.db2.gz HOCWMTWZKUORLE-AAODDVHNSA-N 1 2 261.307 -1.778 20 0 CAADLO CNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)C2(C(N)=O)CC2)[C@@H](O)C1 ZINC001220258007 780328134 /nfs/dbraw/zinc/32/81/34/780328134.db2.gz ZNFDTWKLFFRLFT-YIZRAAEISA-N 1 2 298.343 -2.452 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)C2(C(N)=O)CC2)[C@@H](O)C1 ZINC001220258007 780328137 /nfs/dbraw/zinc/32/81/37/780328137.db2.gz ZNFDTWKLFFRLFT-YIZRAAEISA-N 1 2 298.343 -2.452 20 0 CAADLO CN(C)S(=O)(=O)CCNC(=O)[C@@H]([NH3+])Cc1nn[nH]n1 ZINC001220268997 780328240 /nfs/dbraw/zinc/32/82/40/780328240.db2.gz SWOYZOCXVXMKRN-LURJTMIESA-N 1 2 291.337 -2.923 20 0 CAADLO Cn1cc(CCNC(=O)[C@@H]([NH3+])Cc2nn[nH]n2)cn1 ZINC001220276785 780329964 /nfs/dbraw/zinc/32/99/64/780329964.db2.gz QMDWTHJMIVOBDG-QMMMGPOBSA-N 1 2 264.293 -1.838 20 0 CAADLO [NH3+][C@@H](Cc1nn[nH]n1)C(=O)N[C@@H]1CC12CCOCC2 ZINC001220329267 780337450 /nfs/dbraw/zinc/33/74/50/780337450.db2.gz KLYQSUXBBZLGHS-JGVFFNPUSA-N 1 2 266.305 -1.245 20 0 CAADLO COC(=O)[C@@H]([NH3+])CC(=O)Nc1cc(C)cc(=O)n1N ZINC001220323846 780338211 /nfs/dbraw/zinc/33/82/11/780338211.db2.gz NXFKMVIOTITMQL-ZETCQYMHSA-N 1 2 268.273 -1.301 20 0 CAADLO CC(C)(C)OC[C@H]([NH3+])C(=O)NCC(=O)NCc1c[nH]nn1 ZINC001220328869 780338436 /nfs/dbraw/zinc/33/84/36/780338436.db2.gz DEZOPRXBGSRWPH-VIFPVBQESA-N 1 2 298.347 -1.321 20 0 CAADLO COc1ccc(CNC(=O)[C@@H]([NH3+])Cc2nn[nH]n2)nn1 ZINC001220343525 780339192 /nfs/dbraw/zinc/33/91/92/780339192.db2.gz RITIOOASZGXZFT-ZETCQYMHSA-N 1 2 278.276 -1.816 20 0 CAADLO O=C(N[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@@H]1O)C1(CF)CC1 ZINC001220336131 780339684 /nfs/dbraw/zinc/33/96/84/780339684.db2.gz HNRUPGVSRKCVRW-BBBLOLIVSA-N 1 2 285.319 -1.214 20 0 CAADLO O=C(N[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@@H]1O)C1(CF)CC1 ZINC001220336131 780339694 /nfs/dbraw/zinc/33/96/94/780339694.db2.gz HNRUPGVSRKCVRW-BBBLOLIVSA-N 1 2 285.319 -1.214 20 0 CAADLO COC(=O)[C@@H]([NH3+])CC(=O)NCc1ccc(OC)nn1 ZINC001220343063 780339772 /nfs/dbraw/zinc/33/97/72/780339772.db2.gz DJNSVHTYRHUWRD-QMMMGPOBSA-N 1 2 268.273 -1.008 20 0 CAADLO C[C@@H](NC(=O)[C@@H]([NH3+])Cc1nn[nH]n1)c1cnccn1 ZINC001220368330 780340913 /nfs/dbraw/zinc/34/09/13/780340913.db2.gz CERYYBGGXPUJDM-RQJHMYQMSA-N 1 2 262.277 -1.263 20 0 CAADLO C=CC(=O)NCCNC(=O)[C@@H]([NH3+])Cc1nn[nH]n1 ZINC001220394668 780344925 /nfs/dbraw/zinc/34/49/25/780344925.db2.gz LGTLCPHCONRERC-LURJTMIESA-N 1 2 253.266 -2.512 20 0 CAADLO COc1ccc(CCNC(=O)[C@@H]([NH3+])Cc2nn[nH]n2)nc1 ZINC001220396797 780345164 /nfs/dbraw/zinc/34/51/64/780345164.db2.gz MFSGIJWYHZOGOH-JTQLQIEISA-N 1 2 291.315 -1.168 20 0 CAADLO CCOCC[N@H+]1C[C@@H](NC(=O)CCc2cnn[nH]2)[C@@H](O)C1 ZINC001220392892 780345576 /nfs/dbraw/zinc/34/55/76/780345576.db2.gz PUDSCBXBBKPFME-NEPJUHHUSA-N 1 2 297.359 -1.065 20 0 CAADLO CCOCC[N@@H+]1C[C@@H](NC(=O)CCc2cnn[nH]2)[C@@H](O)C1 ZINC001220392892 780345581 /nfs/dbraw/zinc/34/55/81/780345581.db2.gz PUDSCBXBBKPFME-NEPJUHHUSA-N 1 2 297.359 -1.065 20 0 CAADLO Cn1c(=O)cc(NC(=O)[C@@H]2COCC[NH2+]2)[nH]c1=O ZINC001220424548 780346659 /nfs/dbraw/zinc/34/66/59/780346659.db2.gz KQOOIXJTQSWLJQ-LURJTMIESA-N 1 2 254.246 -1.587 20 0 CAADLO C[C@H](CC(=O)N[C@@H]1CN(CC(N)=O)C[C@@H]1O)n1cc[nH+]c1 ZINC001220441849 780349270 /nfs/dbraw/zinc/34/92/70/780349270.db2.gz QGGXVGGSELRCKG-MXWKQRLJSA-N 1 2 295.343 -1.519 20 0 CAADLO [NH3+][C@@H](Cc1nn[nH]n1)C(=O)N[C@@H](CO)C(F)(F)F ZINC001220447921 780350003 /nfs/dbraw/zinc/35/00/03/780350003.db2.gz RREIAFPBHXPYKN-IMJSIDKUSA-N 1 2 268.199 -1.891 20 0 CAADLO O=C(Nc1[nH]c(=O)nc2nc[nH]c21)[C@@H]1COCC[NH2+]1 ZINC001220471684 780351136 /nfs/dbraw/zinc/35/11/36/780351136.db2.gz XFKWNYYSMODWAX-YFKPBYRVSA-N 1 2 264.245 -1.015 20 0 CAADLO CC(=O)OC[C@H]([NH3+])C(=O)Nc1[nH]c(=O)nc2[nH]c(=O)[nH]c21 ZINC001220468715 780351352 /nfs/dbraw/zinc/35/13/52/780351352.db2.gz DZMBZXOXQGJPOV-BYPYZUCNSA-N 1 2 296.243 -1.455 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)CC(=O)N(C)C)[C@@H](O)C1 ZINC001220508344 780357486 /nfs/dbraw/zinc/35/74/86/780357486.db2.gz IGEOWFVFWQXEBG-YIZRAAEISA-N 1 2 286.332 -2.500 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)CC(=O)N(C)C)[C@@H](O)C1 ZINC001220508344 780357490 /nfs/dbraw/zinc/35/74/90/780357490.db2.gz IGEOWFVFWQXEBG-YIZRAAEISA-N 1 2 286.332 -2.500 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)CCc2cn[nH]c2)[C@@H](O)C1 ZINC001220518813 780358825 /nfs/dbraw/zinc/35/88/25/780358825.db2.gz NUTFNNDBRGUQCN-GDPRMGEGSA-N 1 2 295.343 -1.623 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)CCc2cn[nH]c2)[C@@H](O)C1 ZINC001220518813 780358834 /nfs/dbraw/zinc/35/88/34/780358834.db2.gz NUTFNNDBRGUQCN-GDPRMGEGSA-N 1 2 295.343 -1.623 20 0 CAADLO [NH3+][C@@H](Cc1nn[nH]n1)C(=O)NCc1nccc(Cl)n1 ZINC001220530257 780361935 /nfs/dbraw/zinc/36/19/35/780361935.db2.gz OSPKIUXKONWNQM-YFKPBYRVSA-N 1 2 282.695 -1.171 20 0 CAADLO C[C@@H]1COCC[C@@H]1NC(=O)[C@@H]([NH3+])Cc1nn[nH]n1 ZINC001220565674 780362725 /nfs/dbraw/zinc/36/27/25/780362725.db2.gz OXPBUXAKNHBOIZ-CSMHCCOUSA-N 1 2 254.294 -1.389 20 0 CAADLO C[C@H]1COCC[C@H]1NC(=O)[C@@H]([NH3+])Cc1nn[nH]n1 ZINC001220565670 780364290 /nfs/dbraw/zinc/36/42/90/780364290.db2.gz OXPBUXAKNHBOIZ-BIIVOSGPSA-N 1 2 254.294 -1.389 20 0 CAADLO CCOCC[N@H+]1C[C@@H](NC(=O)c2nnc[nH]2)[C@@H](O)C1 ZINC001220574569 780364984 /nfs/dbraw/zinc/36/49/84/780364984.db2.gz FGTNMIJWTBDPEW-BDAKNGLRSA-N 1 2 269.305 -1.384 20 0 CAADLO CCOCC[N@@H+]1C[C@@H](NC(=O)c2nnc[nH]2)[C@@H](O)C1 ZINC001220574569 780364995 /nfs/dbraw/zinc/36/49/95/780364995.db2.gz FGTNMIJWTBDPEW-BDAKNGLRSA-N 1 2 269.305 -1.384 20 0 CAADLO CCOCC[N@H+]1C[C@@H](NC(=O)c2ncn[nH]2)[C@@H](O)C1 ZINC001220574569 780365005 /nfs/dbraw/zinc/36/50/05/780365005.db2.gz FGTNMIJWTBDPEW-BDAKNGLRSA-N 1 2 269.305 -1.384 20 0 CAADLO CCOCC[N@@H+]1C[C@@H](NC(=O)c2ncn[nH]2)[C@@H](O)C1 ZINC001220574569 780365015 /nfs/dbraw/zinc/36/50/15/780365015.db2.gz FGTNMIJWTBDPEW-BDAKNGLRSA-N 1 2 269.305 -1.384 20 0 CAADLO COC(=O)CNC(=O)CNC(=O)C[C@H]([NH3+])C(=O)OC ZINC001220575500 780365820 /nfs/dbraw/zinc/36/58/20/780365820.db2.gz JDNGNCBAQJWOJV-LURJTMIESA-N 1 2 275.261 -2.718 20 0 CAADLO COCCC[N@H+]1C[C@@H](NC(=O)c2nc[nH]n2)[C@@H](O)C1 ZINC001220573083 780366157 /nfs/dbraw/zinc/36/61/57/780366157.db2.gz PIEMBADRZZNACM-BDAKNGLRSA-N 1 2 269.305 -1.384 20 0 CAADLO COCCC[N@@H+]1C[C@@H](NC(=O)c2nc[nH]n2)[C@@H](O)C1 ZINC001220573083 780366169 /nfs/dbraw/zinc/36/61/69/780366169.db2.gz PIEMBADRZZNACM-BDAKNGLRSA-N 1 2 269.305 -1.384 20 0 CAADLO COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)c2nnc[nH]2)[C@@H](O)C1 ZINC001220573112 780366754 /nfs/dbraw/zinc/36/67/54/780366754.db2.gz QEBVLQAKOGYTNM-YIZRAAEISA-N 1 2 285.304 -2.413 20 0 CAADLO COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)c2nnc[nH]2)[C@@H](O)C1 ZINC001220573112 780366762 /nfs/dbraw/zinc/36/67/62/780366762.db2.gz QEBVLQAKOGYTNM-YIZRAAEISA-N 1 2 285.304 -2.413 20 0 CAADLO COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)c2ncn[nH]2)[C@@H](O)C1 ZINC001220573112 780366772 /nfs/dbraw/zinc/36/67/72/780366772.db2.gz QEBVLQAKOGYTNM-YIZRAAEISA-N 1 2 285.304 -2.413 20 0 CAADLO COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)c2ncn[nH]2)[C@@H](O)C1 ZINC001220573112 780366781 /nfs/dbraw/zinc/36/67/81/780366781.db2.gz QEBVLQAKOGYTNM-YIZRAAEISA-N 1 2 285.304 -2.413 20 0 CAADLO C[C@@H](NC(=O)[C@@H]([NH3+])Cc1nn[nH]n1)c1ncc(F)cn1 ZINC001220599273 780369790 /nfs/dbraw/zinc/36/97/90/780369790.db2.gz RFIVWRQZEBIZLJ-VDTYLAMSSA-N 1 2 280.267 -1.124 20 0 CAADLO CN1CCC[C@H](NC(=O)[C@@H]([NH3+])Cc2nn[nH]n2)C1=O ZINC001220591014 780370174 /nfs/dbraw/zinc/37/01/74/780370174.db2.gz TVVMKFGECSBOEY-BQBZGAKWSA-N 1 2 267.293 -2.194 20 0 CAADLO CC(=O)N1CC(NC(=O)[C@@H]([NH3+])Cc2nn[nH]n2)C1 ZINC001220597083 780370324 /nfs/dbraw/zinc/37/03/24/780370324.db2.gz TZCDKBDPGWJWKS-ZETCQYMHSA-N 1 2 253.266 -2.584 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)CCn2cccc2)[C@@H](O)C1 ZINC001220612141 780371659 /nfs/dbraw/zinc/37/16/59/780371659.db2.gz LPSOIQFJEWSQRE-UTUOFQBUSA-N 1 2 294.355 -1.087 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)CCn2cccc2)[C@@H](O)C1 ZINC001220612141 780371663 /nfs/dbraw/zinc/37/16/63/780371663.db2.gz LPSOIQFJEWSQRE-UTUOFQBUSA-N 1 2 294.355 -1.087 20 0 CAADLO CCOC(=O)[C@@H]1CCC[C@@H]1NC(=O)[C@@H]([NH3+])Cc1nn[nH]n1 ZINC001220660375 780373924 /nfs/dbraw/zinc/37/39/24/780373924.db2.gz FQRHGVPIZNOVIS-VGMNWLOBSA-N 1 2 296.331 -1.083 20 0 CAADLO Nc1ncc(CCNC(=O)[C@@H]([NH3+])Cc2nn[nH]n2)s1 ZINC001220704029 780374155 /nfs/dbraw/zinc/37/41/55/780374155.db2.gz KLPMZRZPBAKZGY-LURJTMIESA-N 1 2 282.333 -1.533 20 0 CAADLO CCOCC[N@H+]1C[C@@H](NC(=O)Cc2nnc[nH]2)[C@@H](O)C1 ZINC001220725996 780376463 /nfs/dbraw/zinc/37/64/63/780376463.db2.gz FALYPCJCLZLNQB-ZJUUUORDSA-N 1 2 283.332 -1.455 20 0 CAADLO CCOCC[N@@H+]1C[C@@H](NC(=O)Cc2nnc[nH]2)[C@@H](O)C1 ZINC001220725996 780376473 /nfs/dbraw/zinc/37/64/73/780376473.db2.gz FALYPCJCLZLNQB-ZJUUUORDSA-N 1 2 283.332 -1.455 20 0 CAADLO COC(=O)[C@@H](N)CC(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC001220723543 780377117 /nfs/dbraw/zinc/37/71/17/780377117.db2.gz AWEAEHBPQQSACH-ZJUUUORDSA-N 1 2 273.333 -1.286 20 0 CAADLO COC(=O)[C@@H](N)CC(=O)NCC[N@H+]1CCOC[C@H]1C ZINC001220723543 780377128 /nfs/dbraw/zinc/37/71/28/780377128.db2.gz AWEAEHBPQQSACH-ZJUUUORDSA-N 1 2 273.333 -1.286 20 0 CAADLO COC(CCCNC(=O)[C@@H]([NH3+])Cc1nn[nH]n1)OC ZINC001220741070 780378783 /nfs/dbraw/zinc/37/87/83/780378783.db2.gz CYFVIEWGIHVNEZ-ZETCQYMHSA-N 1 2 272.309 -1.415 20 0 CAADLO COC(=O)[C@@H](Cc1c[nH+]cn1C)NC(=O)[C@@H]1CNC(=O)N1 ZINC001220770186 780380254 /nfs/dbraw/zinc/38/02/54/780380254.db2.gz VKRUVVVEYVFLLV-BDAKNGLRSA-N 1 2 295.299 -1.698 20 0 CAADLO O=C([O-])CCC(=O)CNC(=O)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220848944 780384017 /nfs/dbraw/zinc/38/40/17/780384017.db2.gz NMVFDKXKZFDLJL-UFBFGSQYSA-N 1 2 269.301 -1.512 20 0 CAADLO O=C([O-])CCC(=O)CNC(=O)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220848941 780385811 /nfs/dbraw/zinc/38/58/11/780385811.db2.gz NMVFDKXKZFDLJL-PELKAZGASA-N 1 2 269.301 -1.512 20 0 CAADLO O=C([O-])CCC(=O)CNC(=O)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220848942 780386377 /nfs/dbraw/zinc/38/63/77/780386377.db2.gz NMVFDKXKZFDLJL-PRHODGIISA-N 1 2 269.301 -1.512 20 0 CAADLO [NH3+]C1(C(=O)NCC(=O)CCC(=O)[O-])CC[NH2+]CC1 ZINC001220848761 780386533 /nfs/dbraw/zinc/38/65/33/780386533.db2.gz HUSOTSLCKCXITM-UHFFFAOYSA-N 1 2 257.290 -1.383 20 0 CAADLO COC(=O)[C@@H]([NH3+])CC(=O)N[C@@H](CCSC)C(N)=O ZINC001220840937 780386916 /nfs/dbraw/zinc/38/69/16/780386916.db2.gz ZTSXLCSVANLVFG-BQBZGAKWSA-N 1 2 277.346 -1.400 20 0 CAADLO CCOC(=O)C1(NC(=O)[C@@]23CC[C@@H](N2)[C@H]([NH3+])C3)C[NH2+]C1 ZINC001220851227 780388201 /nfs/dbraw/zinc/38/82/01/780388201.db2.gz MYPODWDPVOQEGT-LNLATYFQSA-N 1 2 282.344 -1.771 20 0 CAADLO CCOC(=O)C1(NC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)C[NH2+]C1 ZINC001220851183 780389290 /nfs/dbraw/zinc/38/92/90/780389290.db2.gz LHBXAGZVINTAJA-SFYZADRCSA-N 1 2 256.306 -2.303 20 0 CAADLO COC(=O)[C@@H]1C[C@H]1CNC(=O)[C@@H]([NH3+])Cc1nn[nH]n1 ZINC001220882029 780392082 /nfs/dbraw/zinc/39/20/82/780392082.db2.gz RDJGJZQBYHGVSB-XVMARJQXSA-N 1 2 268.277 -2.005 20 0 CAADLO COC(=O)[C@@H]([NH3+])CC(=O)NC[C@H]1C[C@@H]1C(=O)OC ZINC001220881060 780392245 /nfs/dbraw/zinc/39/22/45/780392245.db2.gz BOVFIDIVIAYIKO-CSMHCCOUSA-N 1 2 258.274 -1.198 20 0 CAADLO [NH3+][C@@H](Cc1nn[nH]n1)C(=O)NC1(c2ncccn2)CC1 ZINC001220932856 780395472 /nfs/dbraw/zinc/39/54/72/780395472.db2.gz PZLSHLIWQPHVQJ-ZETCQYMHSA-N 1 2 274.288 -1.335 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)CCNC(N)=O)[C@@H](O)C1 ZINC001220935424 780395940 /nfs/dbraw/zinc/39/59/40/780395940.db2.gz FRFVYZXCTGSYJY-RNJXMRFFSA-N 1 2 287.320 -2.920 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)CCNC(N)=O)[C@@H](O)C1 ZINC001220935424 780395944 /nfs/dbraw/zinc/39/59/44/780395944.db2.gz FRFVYZXCTGSYJY-RNJXMRFFSA-N 1 2 287.320 -2.920 20 0 CAADLO Cc1nccnc1CNC(=O)[C@@H]([NH3+])Cc1nn[nH]n1 ZINC001221103816 780404076 /nfs/dbraw/zinc/40/40/76/780404076.db2.gz RUQIWPABMDVZFZ-ZETCQYMHSA-N 1 2 262.277 -1.516 20 0 CAADLO NC(=O)CN1C[C@@H](NC(=O)CCCn2cc[nH+]c2)[C@@H](O)C1 ZINC001221161206 780404718 /nfs/dbraw/zinc/40/47/18/780404718.db2.gz AQCBWOUMVGAGPM-MNOVXSKESA-N 1 2 295.343 -1.690 20 0 CAADLO COCC(=O)N1C[C@H]2CC[N@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001221204648 780406910 /nfs/dbraw/zinc/40/69/10/780406910.db2.gz ODPAILVQPVLFNB-RKDXNWHRSA-N 1 2 284.316 -1.640 20 0 CAADLO COCC(=O)N1C[C@H]2CC[N@@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001221204648 780406914 /nfs/dbraw/zinc/40/69/14/780406914.db2.gz ODPAILVQPVLFNB-RKDXNWHRSA-N 1 2 284.316 -1.640 20 0 CAADLO Nc1c2c(=O)nccc-2[n-]n1C(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1 ZINC001221236968 780406923 /nfs/dbraw/zinc/40/69/23/780406923.db2.gz LJIZKHQGPWVMRM-VDTYLAMSSA-N 1 2 262.273 -1.412 20 0 CAADLO CNC(=O)NC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)COC)[C@@H]2C1 ZINC001221204492 780407468 /nfs/dbraw/zinc/40/74/68/780407468.db2.gz JOWNVTTWLHXENJ-NXEZZACHSA-N 1 2 298.343 -1.379 20 0 CAADLO CNC(=O)NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)COC)[C@@H]2C1 ZINC001221204492 780407472 /nfs/dbraw/zinc/40/74/72/780407472.db2.gz JOWNVTTWLHXENJ-NXEZZACHSA-N 1 2 298.343 -1.379 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)CNC(C)=O)[C@@H]2C1 ZINC001221231820 780407499 /nfs/dbraw/zinc/40/74/99/780407499.db2.gz AYQXROZREBWOKY-GHMZBOCLSA-N 1 2 282.344 -1.599 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)CNC(C)=O)[C@@H]2C1 ZINC001221231820 780407504 /nfs/dbraw/zinc/40/75/04/780407504.db2.gz AYQXROZREBWOKY-GHMZBOCLSA-N 1 2 282.344 -1.599 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)NC(C)=O)[C@@H]2C1 ZINC001221243670 780408440 /nfs/dbraw/zinc/40/84/40/780408440.db2.gz PMLYWMKNKPAHCY-YUSALJHKSA-N 1 2 296.371 -1.210 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)NC(C)=O)[C@@H]2C1 ZINC001221243670 780408442 /nfs/dbraw/zinc/40/84/42/780408442.db2.gz PMLYWMKNKPAHCY-YUSALJHKSA-N 1 2 296.371 -1.210 20 0 CAADLO [NH3+][C@@H](Cc1nn[nH]n1)C(=O)NC1CN(C2COC2)C1 ZINC001221245991 780408605 /nfs/dbraw/zinc/40/86/05/780408605.db2.gz LSZAJMNDMNMFID-QMMMGPOBSA-N 1 2 267.293 -2.731 20 0 CAADLO Cc1cnc(NC(=O)[C@@H]([NH3+])Cc2nn[nH]n2)c(=O)[nH]1 ZINC001221330410 780414354 /nfs/dbraw/zinc/41/43/54/780414354.db2.gz VYCVBQUQZZQHEG-YFKPBYRVSA-N 1 2 264.249 -1.900 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)CNC(=O)OC)[C@@H]2C1 ZINC001221320097 780414900 /nfs/dbraw/zinc/41/49/00/780414900.db2.gz SQFAMDWRPXZDRW-NXEZZACHSA-N 1 2 298.343 -1.379 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)CNC(=O)OC)[C@@H]2C1 ZINC001221320097 780414901 /nfs/dbraw/zinc/41/49/01/780414901.db2.gz SQFAMDWRPXZDRW-NXEZZACHSA-N 1 2 298.343 -1.379 20 0 CAADLO COC(=O)NCC(=O)N1C[C@H]2CC[N@H+](CC(N)=O)C[C@H]21 ZINC001221322088 780414909 /nfs/dbraw/zinc/41/49/09/780414909.db2.gz NKIVICUMFJRXAR-RKDXNWHRSA-N 1 2 284.316 -1.640 20 0 CAADLO COC(=O)NCC(=O)N1C[C@H]2CC[N@@H+](CC(N)=O)C[C@H]21 ZINC001221322088 780414912 /nfs/dbraw/zinc/41/49/12/780414912.db2.gz NKIVICUMFJRXAR-RKDXNWHRSA-N 1 2 284.316 -1.640 20 0 CAADLO [NH3+][C@@H](Cc1nn[nH]n1)C(=O)NCc1cnc(Cl)cn1 ZINC001221318926 780414919 /nfs/dbraw/zinc/41/49/19/780414919.db2.gz FKUVVGAHWOJFCW-LURJTMIESA-N 1 2 282.695 -1.171 20 0 CAADLO COC(=O)[C@@H]([NH3+])CC(=O)NCCN1CCCS1(=O)=O ZINC001221338064 780415567 /nfs/dbraw/zinc/41/55/67/780415567.db2.gz WVUXUKFIBWUXPQ-QMMMGPOBSA-N 1 2 293.345 -1.972 20 0 CAADLO CO[C@@H](C)C(=O)N1C[C@H]2CC[N@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001221334734 780416056 /nfs/dbraw/zinc/41/60/56/780416056.db2.gz QAJKIADITFJNDY-IVZWLZJFSA-N 1 2 298.343 -1.251 20 0 CAADLO CO[C@@H](C)C(=O)N1C[C@H]2CC[N@@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001221334734 780416061 /nfs/dbraw/zinc/41/60/61/780416061.db2.gz QAJKIADITFJNDY-IVZWLZJFSA-N 1 2 298.343 -1.251 20 0 CAADLO [NH3+][C@@H](Cc1nn[nH]n1)C(=O)NC[C@H]1CNC(=O)O1 ZINC001221371480 780418727 /nfs/dbraw/zinc/41/87/27/780418727.db2.gz YKPBEEIZQSXJRI-WHFBIAKZSA-N 1 2 255.238 -2.706 20 0 CAADLO CC1(C)C(=O)NC[C@@H]1NC(=O)[C@@H]([NH3+])Cc1nn[nH]n1 ZINC001221371069 780418748 /nfs/dbraw/zinc/41/87/48/780418748.db2.gz WEWBWLQGQCSHHG-WDSKDSINSA-N 1 2 267.293 -2.290 20 0 CAADLO COC(=O)[C@@H]([NH3+])CC(=O)N[C@@H]1CNC(=O)C1(C)C ZINC001221370097 780418830 /nfs/dbraw/zinc/41/88/30/780418830.db2.gz PAKBMUKBFFCVSO-NKWVEPMBSA-N 1 2 257.290 -1.482 20 0 CAADLO CC1(C)C(=O)NC[C@H]1NC(=O)[C@@H]([NH3+])Cc1nn[nH]n1 ZINC001221371065 780419162 /nfs/dbraw/zinc/41/91/62/780419162.db2.gz WEWBWLQGQCSHHG-NTSWFWBYSA-N 1 2 267.293 -2.290 20 0 CAADLO C[C@]1(NC(=O)[C@@H]([NH3+])Cc2nn[nH]n2)CCCOC1 ZINC001221402352 780419824 /nfs/dbraw/zinc/41/98/24/780419824.db2.gz DWJOEXLFLYDKHN-XVKPBYJWSA-N 1 2 254.294 -1.245 20 0 CAADLO Cc1nc(CNC(=O)[C@@H]2CCCN2C(=O)C[NH3+])n[nH]1 ZINC001221410258 780419969 /nfs/dbraw/zinc/41/99/69/780419969.db2.gz XHBHLDWAGZCVTL-QMMMGPOBSA-N 1 2 266.305 -1.321 20 0 CAADLO C[C@H](NC(=O)[C@@H]([NH3+])Cc1nn[nH]n1)c1ccno1 ZINC001221397834 780420448 /nfs/dbraw/zinc/42/04/48/780420448.db2.gz UVVRGIOZLADOMK-WDSKDSINSA-N 1 2 251.250 -1.065 20 0 CAADLO CCC(=O)N[C@@H](C)C(=O)N1C[C@H]2CC[N@H+](CC(N)=O)C[C@H]21 ZINC001221565833 780421541 /nfs/dbraw/zinc/42/15/41/780421541.db2.gz NJMKQDAFARWAGX-HBNTYKKESA-N 1 2 296.371 -1.081 20 0 CAADLO CCC(=O)N[C@@H](C)C(=O)N1C[C@H]2CC[N@@H+](CC(N)=O)C[C@H]21 ZINC001221565833 780421545 /nfs/dbraw/zinc/42/15/45/780421545.db2.gz NJMKQDAFARWAGX-HBNTYKKESA-N 1 2 296.371 -1.081 20 0 CAADLO CCCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)CC(N)=O)[C@@H]2C1 ZINC001221456404 780421868 /nfs/dbraw/zinc/42/18/68/780421868.db2.gz QAILNGLEKAOJNU-GHMZBOCLSA-N 1 2 296.371 -1.079 20 0 CAADLO CCCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)CC(N)=O)[C@@H]2C1 ZINC001221456404 780421870 /nfs/dbraw/zinc/42/18/70/780421870.db2.gz QAILNGLEKAOJNU-GHMZBOCLSA-N 1 2 296.371 -1.079 20 0 CAADLO CCC(=O)NCC(=O)N1C[C@H]2CC[N@H+](CC(N)=O)C[C@H]21 ZINC001221446257 780422070 /nfs/dbraw/zinc/42/20/70/780422070.db2.gz CUKPFUZRDQDTMJ-NXEZZACHSA-N 1 2 282.344 -1.469 20 0 CAADLO CCC(=O)NCC(=O)N1C[C@H]2CC[N@@H+](CC(N)=O)C[C@H]21 ZINC001221446257 780422072 /nfs/dbraw/zinc/42/20/72/780422072.db2.gz CUKPFUZRDQDTMJ-NXEZZACHSA-N 1 2 282.344 -1.469 20 0 CAADLO CNC(=O)CCCC(=O)N1C[C@H]2CC[N@H+](CC(N)=O)C[C@H]21 ZINC001221499121 780422386 /nfs/dbraw/zinc/42/23/86/780422386.db2.gz PFDPYJZGYYXEOC-GHMZBOCLSA-N 1 2 296.371 -1.079 20 0 CAADLO CNC(=O)CCCC(=O)N1C[C@H]2CC[N@@H+](CC(N)=O)C[C@H]21 ZINC001221499121 780422391 /nfs/dbraw/zinc/42/23/91/780422391.db2.gz PFDPYJZGYYXEOC-GHMZBOCLSA-N 1 2 296.371 -1.079 20 0 CAADLO CC[C@H](NC(C)=O)C(=O)N1C[C@H]2CC[N@H+](CC(N)=O)C[C@H]21 ZINC001221826024 780422841 /nfs/dbraw/zinc/42/28/41/780422841.db2.gz XHRODBDHIZACJP-GRYCIOLGSA-N 1 2 296.371 -1.081 20 0 CAADLO CC[C@H](NC(C)=O)C(=O)N1C[C@H]2CC[N@@H+](CC(N)=O)C[C@H]21 ZINC001221826024 780422848 /nfs/dbraw/zinc/42/28/48/780422848.db2.gz XHRODBDHIZACJP-GRYCIOLGSA-N 1 2 296.371 -1.081 20 0 CAADLO CN(C)C(=O)CC(=O)N1C[C@H]2CC[N@H+](CC(N)=O)C[C@H]21 ZINC001221859251 780422916 /nfs/dbraw/zinc/42/29/16/780422916.db2.gz KJLKRWCYNIDOJW-NXEZZACHSA-N 1 2 282.344 -1.517 20 0 CAADLO CN(C)C(=O)CC(=O)N1C[C@H]2CC[N@@H+](CC(N)=O)C[C@H]21 ZINC001221859251 780422920 /nfs/dbraw/zinc/42/29/20/780422920.db2.gz KJLKRWCYNIDOJW-NXEZZACHSA-N 1 2 282.344 -1.517 20 0 CAADLO CCN(C)C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C(N)=O)[C@@H]2C1 ZINC001221786268 780423307 /nfs/dbraw/zinc/42/33/07/780423307.db2.gz MTISCITUXHJGNF-NXEZZACHSA-N 1 2 282.344 -1.517 20 0 CAADLO CCN(C)C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C(N)=O)[C@@H]2C1 ZINC001221786268 780423313 /nfs/dbraw/zinc/42/33/13/780423313.db2.gz MTISCITUXHJGNF-NXEZZACHSA-N 1 2 282.344 -1.517 20 0 CAADLO CCCNC(=O)[C@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)C(N)=O)[C@@H]2C1 ZINC001221781361 780423481 /nfs/dbraw/zinc/42/34/81/780423481.db2.gz SXOKMQPIDHJWQV-HBNTYKKESA-N 1 2 296.371 -1.081 20 0 CAADLO CCCNC(=O)[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)C(N)=O)[C@@H]2C1 ZINC001221781361 780423484 /nfs/dbraw/zinc/42/34/84/780423484.db2.gz SXOKMQPIDHJWQV-HBNTYKKESA-N 1 2 296.371 -1.081 20 0 CAADLO CC(C)N(C)C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C(N)=O)[C@@H]2C1 ZINC001221786259 780423605 /nfs/dbraw/zinc/42/36/05/780423605.db2.gz MMLGSWZADYJWKH-GHMZBOCLSA-N 1 2 296.371 -1.129 20 0 CAADLO CC(C)N(C)C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C(N)=O)[C@@H]2C1 ZINC001221786259 780423606 /nfs/dbraw/zinc/42/36/06/780423606.db2.gz MMLGSWZADYJWKH-GHMZBOCLSA-N 1 2 296.371 -1.129 20 0 CAADLO NC(=O)CCCC(=O)N1C[C@H]2CC[N@H+](CC(N)=O)C[C@H]21 ZINC001222113362 780424517 /nfs/dbraw/zinc/42/45/17/780424517.db2.gz BEIDVQBDJGAVGM-NXEZZACHSA-N 1 2 282.344 -1.340 20 0 CAADLO NC(=O)CCCC(=O)N1C[C@H]2CC[N@@H+](CC(N)=O)C[C@H]21 ZINC001222113362 780424522 /nfs/dbraw/zinc/42/45/22/780424522.db2.gz BEIDVQBDJGAVGM-NXEZZACHSA-N 1 2 282.344 -1.340 20 0 CAADLO Cn1nnnc1C[NH+]1CCC(CNC(=O)C(N)=O)CC1 ZINC001224294791 780431577 /nfs/dbraw/zinc/43/15/77/780431577.db2.gz SDSXZYVTDDRCDV-UHFFFAOYSA-N 1 2 281.320 -1.976 20 0 CAADLO Cn1ncc(C[NH+]2CCC(CNC(=O)C(N)=O)CC2)n1 ZINC001224294569 780431845 /nfs/dbraw/zinc/43/18/45/780431845.db2.gz QOIXIIMTHMGZDF-UHFFFAOYSA-N 1 2 280.332 -1.371 20 0 CAADLO NC(=O)CN1CC[C@H]1CNC(=O)Cc1c[nH]c[nH+]1 ZINC001276933728 780432251 /nfs/dbraw/zinc/43/22/51/780432251.db2.gz YSQWNZBQAINMAL-VIFPVBQESA-N 1 2 251.290 -1.372 20 0 CAADLO C[C@@H](c1nnnn1C)[NH+]1CCC(CNC(=O)C(N)=O)CC1 ZINC001224295399 780433414 /nfs/dbraw/zinc/43/34/14/780433414.db2.gz XXPHVBWJJCUVJN-QMMMGPOBSA-N 1 2 295.347 -1.415 20 0 CAADLO CCCn1nnnc1C[NH2+]C1(CNC(=O)CC(N)=O)CC1 ZINC001277019800 780436062 /nfs/dbraw/zinc/43/60/62/780436062.db2.gz GBVDLEZGXXIXJZ-UHFFFAOYSA-N 1 2 295.347 -1.303 20 0 CAADLO NS(=O)(=O)c1ccc(C[NH2+][C@@H]2COC[C@@H]2O)o1 ZINC000323156669 780448137 /nfs/dbraw/zinc/44/81/37/780448137.db2.gz HIWUPBHLVGIDOH-SFYZADRCSA-N 1 2 262.287 -1.224 20 0 CAADLO CN(C)C(=O)CNC(=O)[C@H]1CC12C[NH+](CC(=O)N(C)C)C2 ZINC001277334295 780452332 /nfs/dbraw/zinc/45/23/32/780452332.db2.gz LTSOVFAMTBKPOH-SNVBAGLBSA-N 1 2 296.371 -1.399 20 0 CAADLO CN(C)C(=O)CNC(=O)[C@@]12C[C@@H]1C[N@H+](Cc1cnn[nH]1)C2 ZINC001277375322 780454660 /nfs/dbraw/zinc/45/46/60/780454660.db2.gz KHCJHYVMEXAEEU-NOZJJQNGSA-N 1 2 292.343 -1.169 20 0 CAADLO CN(C)C(=O)CNC(=O)[C@@]12C[C@@H]1C[N@@H+](Cc1cnn[nH]1)C2 ZINC001277375322 780454664 /nfs/dbraw/zinc/45/46/64/780454664.db2.gz KHCJHYVMEXAEEU-NOZJJQNGSA-N 1 2 292.343 -1.169 20 0 CAADLO CN(C)C(=O)CNC(=O)[C@@]12C[C@@H]1C[N@H+](Cc1c[nH]nn1)C2 ZINC001277375322 780454667 /nfs/dbraw/zinc/45/46/67/780454667.db2.gz KHCJHYVMEXAEEU-NOZJJQNGSA-N 1 2 292.343 -1.169 20 0 CAADLO CN(C)C(=O)CNC(=O)[C@@]12C[C@@H]1C[N@@H+](Cc1c[nH]nn1)C2 ZINC001277375322 780454671 /nfs/dbraw/zinc/45/46/71/780454671.db2.gz KHCJHYVMEXAEEU-NOZJJQNGSA-N 1 2 292.343 -1.169 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)CNC(C)=O ZINC001230622128 780457660 /nfs/dbraw/zinc/45/76/60/780457660.db2.gz WHHZXBGMTODOQK-SNVBAGLBSA-N 1 2 270.333 -1.599 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)CNC(C)=O ZINC001230622128 780457666 /nfs/dbraw/zinc/45/76/66/780457666.db2.gz WHHZXBGMTODOQK-SNVBAGLBSA-N 1 2 270.333 -1.599 20 0 CAADLO COCC(=O)N(C)C[C@@H]1CC[N@@H+]1[C@@H]1CCC(=O)NC1=O ZINC001230537146 780457714 /nfs/dbraw/zinc/45/77/14/780457714.db2.gz ACKNFUGMLRYZHV-VHSXEESVSA-N 1 2 283.328 -1.029 20 0 CAADLO COCC(=O)N(C)C[C@@H]1CC[N@H+]1[C@@H]1CCC(=O)NC1=O ZINC001230537146 780457716 /nfs/dbraw/zinc/45/77/16/780457716.db2.gz ACKNFUGMLRYZHV-VHSXEESVSA-N 1 2 283.328 -1.029 20 0 CAADLO CC(=O)NCC(=O)N(C)C[C@@H]1CC[N@@H+]1CC(=O)N1CCC1 ZINC001230621433 780457855 /nfs/dbraw/zinc/45/78/55/780457855.db2.gz NQEJMSONSMHOAH-LBPRGKRZSA-N 1 2 296.371 -1.113 20 0 CAADLO CC(=O)NCC(=O)N(C)C[C@@H]1CC[N@H+]1CC(=O)N1CCC1 ZINC001230621433 780457857 /nfs/dbraw/zinc/45/78/57/780457857.db2.gz NQEJMSONSMHOAH-LBPRGKRZSA-N 1 2 296.371 -1.113 20 0 CAADLO CCNC(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)CNC(C)=O ZINC001230620870 780458051 /nfs/dbraw/zinc/45/80/51/780458051.db2.gz DFDADNFREOJTCE-LLVKDONJSA-N 1 2 284.360 -1.209 20 0 CAADLO CCNC(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)CNC(C)=O ZINC001230620870 780458052 /nfs/dbraw/zinc/45/80/52/780458052.db2.gz DFDADNFREOJTCE-LLVKDONJSA-N 1 2 284.360 -1.209 20 0 CAADLO CCNC(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)CNC(C)=O ZINC001230620871 780458123 /nfs/dbraw/zinc/45/81/23/780458123.db2.gz DFDADNFREOJTCE-NSHDSACASA-N 1 2 284.360 -1.209 20 0 CAADLO CCNC(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)CNC(C)=O ZINC001230620871 780458126 /nfs/dbraw/zinc/45/81/26/780458126.db2.gz DFDADNFREOJTCE-NSHDSACASA-N 1 2 284.360 -1.209 20 0 CAADLO COCC(=O)N(C)C[C@@H]1CC[N@@H+]1[C@H]1CCC(=O)NC1=O ZINC001230537145 780458134 /nfs/dbraw/zinc/45/81/34/780458134.db2.gz ACKNFUGMLRYZHV-UWVGGRQHSA-N 1 2 283.328 -1.029 20 0 CAADLO COCC(=O)N(C)C[C@@H]1CC[N@H+]1[C@H]1CCC(=O)NC1=O ZINC001230537145 780458137 /nfs/dbraw/zinc/45/81/37/780458137.db2.gz ACKNFUGMLRYZHV-UWVGGRQHSA-N 1 2 283.328 -1.029 20 0 CAADLO COCC(=O)N(C)C[C@H]1CC[N@@H+]1[C@@H]1CCC(=O)NC1=O ZINC001230537144 780458257 /nfs/dbraw/zinc/45/82/57/780458257.db2.gz ACKNFUGMLRYZHV-NXEZZACHSA-N 1 2 283.328 -1.029 20 0 CAADLO COCC(=O)N(C)C[C@H]1CC[N@H+]1[C@@H]1CCC(=O)NC1=O ZINC001230537144 780458262 /nfs/dbraw/zinc/45/82/62/780458262.db2.gz ACKNFUGMLRYZHV-NXEZZACHSA-N 1 2 283.328 -1.029 20 0 CAADLO COCC(=O)N(C)C[C@H]1CC[N@@H+]1[C@H](C)C(=O)NC(N)=O ZINC001230547322 780458341 /nfs/dbraw/zinc/45/83/41/780458341.db2.gz GPPXVJWNBWEWPH-RKDXNWHRSA-N 1 2 286.332 -1.251 20 0 CAADLO COCC(=O)N(C)C[C@H]1CC[N@H+]1[C@H](C)C(=O)NC(N)=O ZINC001230547322 780458344 /nfs/dbraw/zinc/45/83/44/780458344.db2.gz GPPXVJWNBWEWPH-RKDXNWHRSA-N 1 2 286.332 -1.251 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)CNC(N)=O ZINC001230730381 780459046 /nfs/dbraw/zinc/45/90/46/780459046.db2.gz CNWQALJUMWSLLW-MRVPVSSYSA-N 1 2 271.321 -2.067 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)CNC(N)=O ZINC001230730381 780459047 /nfs/dbraw/zinc/45/90/47/780459047.db2.gz CNWQALJUMWSLLW-MRVPVSSYSA-N 1 2 271.321 -2.067 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+]1CC[C@@H]1CN(C)C(=O)CNC(C)=O ZINC001230642560 780459143 /nfs/dbraw/zinc/45/91/43/780459143.db2.gz UTDUBYBKUUIGFF-GXSJLCMTSA-N 1 2 284.360 -1.210 20 0 CAADLO CNC(=O)[C@H](C)[N@H+]1CC[C@@H]1CN(C)C(=O)CNC(C)=O ZINC001230642560 780459147 /nfs/dbraw/zinc/45/91/47/780459147.db2.gz UTDUBYBKUUIGFF-GXSJLCMTSA-N 1 2 284.360 -1.210 20 0 CAADLO CC(=O)NCC(=O)N(C)C[C@H]1CC[N@@H+]1[C@@H]1CCN(C)C1=O ZINC001230642617 780459274 /nfs/dbraw/zinc/45/92/74/780459274.db2.gz VKJJHVZPEGPXFS-VXGBXAGGSA-N 1 2 296.371 -1.114 20 0 CAADLO CC(=O)NCC(=O)N(C)C[C@H]1CC[N@H+]1[C@@H]1CCN(C)C1=O ZINC001230642617 780459275 /nfs/dbraw/zinc/45/92/75/780459275.db2.gz VKJJHVZPEGPXFS-VXGBXAGGSA-N 1 2 296.371 -1.114 20 0 CAADLO CC(=O)NCC(=O)N(C)C[C@@H]1CC[N@@H+]1[C@@H]1CCN(C)C1=O ZINC001230642615 780459481 /nfs/dbraw/zinc/45/94/81/780459481.db2.gz VKJJHVZPEGPXFS-NWDGAFQWSA-N 1 2 296.371 -1.114 20 0 CAADLO CC(=O)NCC(=O)N(C)C[C@@H]1CC[N@H+]1[C@@H]1CCN(C)C1=O ZINC001230642615 780459488 /nfs/dbraw/zinc/45/94/88/780459488.db2.gz VKJJHVZPEGPXFS-NWDGAFQWSA-N 1 2 296.371 -1.114 20 0 CAADLO CC[C@@H](C(N)=O)[N@@H+]1CC[C@H]1CN(C)C(=O)CNC(C)=O ZINC001230640718 780459529 /nfs/dbraw/zinc/45/95/29/780459529.db2.gz AJDKXJZSZRNIGW-QWRGUYRKSA-N 1 2 284.360 -1.081 20 0 CAADLO CC[C@@H](C(N)=O)[N@H+]1CC[C@H]1CN(C)C(=O)CNC(C)=O ZINC001230640718 780459534 /nfs/dbraw/zinc/45/95/34/780459534.db2.gz AJDKXJZSZRNIGW-QWRGUYRKSA-N 1 2 284.360 -1.081 20 0 CAADLO CC[C@H](C(N)=O)[N@@H+]1CC[C@@H]1CN(C)C(=O)CNC(N)=O ZINC001230734201 780459629 /nfs/dbraw/zinc/45/96/29/780459629.db2.gz BCOPANSEVRGPRX-RKDXNWHRSA-N 1 2 285.348 -1.549 20 0 CAADLO CC[C@H](C(N)=O)[N@H+]1CC[C@@H]1CN(C)C(=O)CNC(N)=O ZINC001230734201 780459638 /nfs/dbraw/zinc/45/96/38/780459638.db2.gz BCOPANSEVRGPRX-RKDXNWHRSA-N 1 2 285.348 -1.549 20 0 CAADLO CN(C)C(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)CNC(N)=O ZINC001230730865 780459699 /nfs/dbraw/zinc/45/96/99/780459699.db2.gz MMHHWWKQAMSJBW-VIFPVBQESA-N 1 2 285.348 -1.724 20 0 CAADLO CN(C)C(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)CNC(N)=O ZINC001230730865 780459706 /nfs/dbraw/zinc/45/97/06/780459706.db2.gz MMHHWWKQAMSJBW-VIFPVBQESA-N 1 2 285.348 -1.724 20 0 CAADLO CC(=O)NCC(=O)N(C)C[C@@H]1CC[N@H+]1[C@@H](C)C(N)=O ZINC001230627640 780459843 /nfs/dbraw/zinc/45/98/43/780459843.db2.gz FGZMEXNZPQASTO-WPRPVWTQSA-N 1 2 270.333 -1.471 20 0 CAADLO CC(=O)NCC(=O)N(C)C[C@@H]1CC[N@@H+]1[C@@H](C)C(N)=O ZINC001230627640 780459851 /nfs/dbraw/zinc/45/98/51/780459851.db2.gz FGZMEXNZPQASTO-WPRPVWTQSA-N 1 2 270.333 -1.471 20 0 CAADLO CC[C@@H](C(N)=O)[N@@H+]1CC[C@@H]1CN(C)C(=O)CNC(N)=O ZINC001230734198 780459993 /nfs/dbraw/zinc/45/99/93/780459993.db2.gz BCOPANSEVRGPRX-BDAKNGLRSA-N 1 2 285.348 -1.549 20 0 CAADLO CC[C@@H](C(N)=O)[N@H+]1CC[C@@H]1CN(C)C(=O)CNC(N)=O ZINC001230734198 780459999 /nfs/dbraw/zinc/45/99/99/780459999.db2.gz BCOPANSEVRGPRX-BDAKNGLRSA-N 1 2 285.348 -1.549 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+]1CC[C@@H]1CN(C)C(=O)CNC(N)=O ZINC001230734825 780460576 /nfs/dbraw/zinc/46/05/76/780460576.db2.gz IFWPHNCSBGOWKG-DTWKUNHWSA-N 1 2 285.348 -1.678 20 0 CAADLO CNC(=O)[C@H](C)[N@H+]1CC[C@@H]1CN(C)C(=O)CNC(N)=O ZINC001230734825 780460580 /nfs/dbraw/zinc/46/05/80/780460580.db2.gz IFWPHNCSBGOWKG-DTWKUNHWSA-N 1 2 285.348 -1.678 20 0 CAADLO CN(C[C@@H]1CC[N@@H+]1[C@H]1CCNC1=O)C(=O)Cn1cnnn1 ZINC001230749982 780460845 /nfs/dbraw/zinc/46/08/45/780460845.db2.gz RNQYCLZTLGPHQZ-UWVGGRQHSA-N 1 2 293.331 -1.906 20 0 CAADLO CN(C[C@@H]1CC[N@H+]1[C@H]1CCNC1=O)C(=O)Cn1cnnn1 ZINC001230749982 780460850 /nfs/dbraw/zinc/46/08/50/780460850.db2.gz RNQYCLZTLGPHQZ-UWVGGRQHSA-N 1 2 293.331 -1.906 20 0 CAADLO CCNC(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)Cn1cnnn1 ZINC001230750072 780461165 /nfs/dbraw/zinc/46/11/65/780461165.db2.gz SGYJROOSTYZUMU-JTQLQIEISA-N 1 2 295.347 -1.658 20 0 CAADLO CCNC(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)Cn1cnnn1 ZINC001230750072 780461170 /nfs/dbraw/zinc/46/11/70/780461170.db2.gz SGYJROOSTYZUMU-JTQLQIEISA-N 1 2 295.347 -1.658 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CC[C@@H]1CN(C)C(=O)Cn1cnnn1 ZINC001230750493 780461269 /nfs/dbraw/zinc/46/12/69/780461269.db2.gz YGHYVHNMEZQATA-DTWKUNHWSA-N 1 2 281.320 -1.920 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CC[C@@H]1CN(C)C(=O)Cn1cnnn1 ZINC001230750493 780461272 /nfs/dbraw/zinc/46/12/72/780461272.db2.gz YGHYVHNMEZQATA-DTWKUNHWSA-N 1 2 281.320 -1.920 20 0 CAADLO CN(C)C(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)Cn1cnnn1 ZINC001230750063 780461317 /nfs/dbraw/zinc/46/13/17/780461317.db2.gz SCICCMDQRXJMRC-SNVBAGLBSA-N 1 2 295.347 -1.706 20 0 CAADLO CN(C)C(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)Cn1cnnn1 ZINC001230750063 780461322 /nfs/dbraw/zinc/46/13/22/780461322.db2.gz SCICCMDQRXJMRC-SNVBAGLBSA-N 1 2 295.347 -1.706 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+]1CC[C@H]1CN(C)C(=O)Cn1cnnn1 ZINC001230748706 780461393 /nfs/dbraw/zinc/46/13/93/780461393.db2.gz IMGHQOCHQVQJRZ-UWVGGRQHSA-N 1 2 295.347 -1.660 20 0 CAADLO CNC(=O)[C@H](C)[N@H+]1CC[C@H]1CN(C)C(=O)Cn1cnnn1 ZINC001230748706 780461395 /nfs/dbraw/zinc/46/13/95/780461395.db2.gz IMGHQOCHQVQJRZ-UWVGGRQHSA-N 1 2 295.347 -1.660 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CC[C@H]1CN(C)C(=O)Cn1cnnn1 ZINC001230750494 780461854 /nfs/dbraw/zinc/46/18/54/780461854.db2.gz YGHYVHNMEZQATA-IUCAKERBSA-N 1 2 281.320 -1.920 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CC[C@H]1CN(C)C(=O)Cn1cnnn1 ZINC001230750494 780461859 /nfs/dbraw/zinc/46/18/59/780461859.db2.gz YGHYVHNMEZQATA-IUCAKERBSA-N 1 2 281.320 -1.920 20 0 CAADLO CC(=O)N(C)CC(=O)N(C)C[C@@H]1CC[N@@H+]1[C@@H]1CCNC1=O ZINC001230829651 780461908 /nfs/dbraw/zinc/46/19/08/780461908.db2.gz QQHYPQUIGLITPX-NWDGAFQWSA-N 1 2 296.371 -1.114 20 0 CAADLO CC(=O)N(C)CC(=O)N(C)C[C@@H]1CC[N@H+]1[C@@H]1CCNC1=O ZINC001230829651 780461913 /nfs/dbraw/zinc/46/19/13/780461913.db2.gz QQHYPQUIGLITPX-NWDGAFQWSA-N 1 2 296.371 -1.114 20 0 CAADLO CCNC(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)Cn1cnnn1 ZINC001230750073 780461933 /nfs/dbraw/zinc/46/19/33/780461933.db2.gz SGYJROOSTYZUMU-SNVBAGLBSA-N 1 2 295.347 -1.658 20 0 CAADLO CCNC(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)Cn1cnnn1 ZINC001230750073 780461936 /nfs/dbraw/zinc/46/19/36/780461936.db2.gz SGYJROOSTYZUMU-SNVBAGLBSA-N 1 2 295.347 -1.658 20 0 CAADLO COC(=O)NCC(=O)N(C)C[C@@H]1CC[N@@H+]1[C@H]1CCNC1=O ZINC001230915415 780462695 /nfs/dbraw/zinc/46/26/95/780462695.db2.gz GLJDABFOHIYCTQ-UWVGGRQHSA-N 1 2 298.343 -1.236 20 0 CAADLO COC(=O)NCC(=O)N(C)C[C@@H]1CC[N@H+]1[C@H]1CCNC1=O ZINC001230915415 780462701 /nfs/dbraw/zinc/46/27/01/780462701.db2.gz GLJDABFOHIYCTQ-UWVGGRQHSA-N 1 2 298.343 -1.236 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)CNC(=O)C1CC1 ZINC001230845318 780463157 /nfs/dbraw/zinc/46/31/57/780463157.db2.gz YXWRFIJLJIXDRK-LLVKDONJSA-N 1 2 296.371 -1.209 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)CNC(=O)C1CC1 ZINC001230845318 780463160 /nfs/dbraw/zinc/46/31/60/780463160.db2.gz YXWRFIJLJIXDRK-LLVKDONJSA-N 1 2 296.371 -1.209 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)CNC(=O)OC ZINC001230915375 780463413 /nfs/dbraw/zinc/46/34/13/780463413.db2.gz FYGPMNJMRNPCSW-VIFPVBQESA-N 1 2 286.332 -1.379 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)CNC(=O)OC ZINC001230915375 780463415 /nfs/dbraw/zinc/46/34/15/780463415.db2.gz FYGPMNJMRNPCSW-VIFPVBQESA-N 1 2 286.332 -1.379 20 0 CAADLO CCC(=O)NCC(=O)N(C)C[C@@H]1CC[N@@H+]1[C@@H](C)C(N)=O ZINC001231271455 780464194 /nfs/dbraw/zinc/46/41/94/780464194.db2.gz JNYWKHJJVVRICG-UWVGGRQHSA-N 1 2 284.360 -1.081 20 0 CAADLO CCC(=O)NCC(=O)N(C)C[C@@H]1CC[N@H+]1[C@@H](C)C(N)=O ZINC001231271455 780464196 /nfs/dbraw/zinc/46/41/96/780464196.db2.gz JNYWKHJJVVRICG-UWVGGRQHSA-N 1 2 284.360 -1.081 20 0 CAADLO CCC(=O)NCC(=O)N(C)C[C@H]1CC[N@@H+]1[C@H](C)C(N)=O ZINC001231271450 780464808 /nfs/dbraw/zinc/46/48/08/780464808.db2.gz JNYWKHJJVVRICG-NXEZZACHSA-N 1 2 284.360 -1.081 20 0 CAADLO CCC(=O)NCC(=O)N(C)C[C@H]1CC[N@H+]1[C@H](C)C(N)=O ZINC001231271450 780464816 /nfs/dbraw/zinc/46/48/16/780464816.db2.gz JNYWKHJJVVRICG-NXEZZACHSA-N 1 2 284.360 -1.081 20 0 CAADLO CCC(=O)NCC(=O)N(C)C[C@H]1CC[N@@H+]1CC(=O)NC ZINC001231225887 780464837 /nfs/dbraw/zinc/46/48/37/780464837.db2.gz JREYEWSTNLOPHM-SNVBAGLBSA-N 1 2 284.360 -1.209 20 0 CAADLO CCC(=O)NCC(=O)N(C)C[C@H]1CC[N@H+]1CC(=O)NC ZINC001231225887 780464841 /nfs/dbraw/zinc/46/48/41/780464841.db2.gz JREYEWSTNLOPHM-SNVBAGLBSA-N 1 2 284.360 -1.209 20 0 CAADLO CCC(=O)NCC(=O)N(C)C[C@@H]1CC[N@@H+]1[C@H](C)C(N)=O ZINC001231271459 780464908 /nfs/dbraw/zinc/46/49/08/780464908.db2.gz JNYWKHJJVVRICG-ZJUUUORDSA-N 1 2 284.360 -1.081 20 0 CAADLO CCC(=O)NCC(=O)N(C)C[C@@H]1CC[N@H+]1[C@H](C)C(N)=O ZINC001231271459 780464913 /nfs/dbraw/zinc/46/49/13/780464913.db2.gz JNYWKHJJVVRICG-ZJUUUORDSA-N 1 2 284.360 -1.081 20 0 CAADLO CCN(C(=O)Cc1c[nH+]cn1C)[C@H](C)CNC(=O)C(N)=O ZINC001281490976 780465515 /nfs/dbraw/zinc/46/55/15/780465515.db2.gz PYCYGGPIIQTANA-SECBINFHSA-N 1 2 295.343 -1.199 20 0 CAADLO CN(C)C(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)CC(N)=O ZINC001231398241 780465668 /nfs/dbraw/zinc/46/56/68/780465668.db2.gz AZMFGYZIVAZRMD-VIFPVBQESA-N 1 2 270.333 -1.517 20 0 CAADLO CN(C)C(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)CC(N)=O ZINC001231398241 780465673 /nfs/dbraw/zinc/46/56/73/780465673.db2.gz AZMFGYZIVAZRMD-VIFPVBQESA-N 1 2 270.333 -1.517 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CC[C@H]1CN(C)C(=O)CC(N)=O ZINC001231358369 780466035 /nfs/dbraw/zinc/46/60/35/780466035.db2.gz GBYPEZXMLVFEOW-SFYZADRCSA-N 1 2 256.306 -1.732 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CC[C@H]1CN(C)C(=O)CC(N)=O ZINC001231358369 780466040 /nfs/dbraw/zinc/46/60/40/780466040.db2.gz GBYPEZXMLVFEOW-SFYZADRCSA-N 1 2 256.306 -1.732 20 0 CAADLO CC(=O)NCC(=O)NCCC[N@@H+](C)[C@H](C)c1nnnn1C ZINC001231278723 780466254 /nfs/dbraw/zinc/46/62/54/780466254.db2.gz OVERTCRIAMFFJB-SECBINFHSA-N 1 2 297.363 -1.155 20 0 CAADLO CC(=O)NCC(=O)NCCC[N@H+](C)[C@H](C)c1nnnn1C ZINC001231278723 780466259 /nfs/dbraw/zinc/46/62/59/780466259.db2.gz OVERTCRIAMFFJB-SECBINFHSA-N 1 2 297.363 -1.155 20 0 CAADLO CN(C[C@H]1CC[N@@H+]1CC(=O)NC1CC1)C(=O)CC(N)=O ZINC001231398433 780466358 /nfs/dbraw/zinc/46/63/58/780466358.db2.gz HFWJSJKXTSXUHJ-SNVBAGLBSA-N 1 2 282.344 -1.327 20 0 CAADLO CN(C[C@H]1CC[N@H+]1CC(=O)NC1CC1)C(=O)CC(N)=O ZINC001231398433 780466362 /nfs/dbraw/zinc/46/63/62/780466362.db2.gz HFWJSJKXTSXUHJ-SNVBAGLBSA-N 1 2 282.344 -1.327 20 0 CAADLO C[C@@H](C(=O)NC(N)=O)[N@@H+]1CC[C@H]1CN(C)C(=O)CC(N)=O ZINC001231358647 780466368 /nfs/dbraw/zinc/46/63/68/780466368.db2.gz GZBBGWFZLKTMGF-YUMQZZPRSA-N 1 2 299.331 -2.022 20 0 CAADLO C[C@@H](C(=O)NC(N)=O)[N@H+]1CC[C@H]1CN(C)C(=O)CC(N)=O ZINC001231358647 780466371 /nfs/dbraw/zinc/46/63/71/780466371.db2.gz GZBBGWFZLKTMGF-YUMQZZPRSA-N 1 2 299.331 -2.022 20 0 CAADLO CC(C)NC(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)CC(N)=O ZINC001231398302 780466452 /nfs/dbraw/zinc/46/64/52/780466452.db2.gz CQTDNAQSTUOMDL-JTQLQIEISA-N 1 2 284.360 -1.081 20 0 CAADLO CC(C)NC(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)CC(N)=O ZINC001231398302 780466455 /nfs/dbraw/zinc/46/64/55/780466455.db2.gz CQTDNAQSTUOMDL-JTQLQIEISA-N 1 2 284.360 -1.081 20 0 CAADLO CN(C[C@@H]1CC[N@@H+]1CC(=O)NC1CC1)C(=O)CC(N)=O ZINC001231398432 780466495 /nfs/dbraw/zinc/46/64/95/780466495.db2.gz HFWJSJKXTSXUHJ-JTQLQIEISA-N 1 2 282.344 -1.327 20 0 CAADLO CN(C[C@@H]1CC[N@H+]1CC(=O)NC1CC1)C(=O)CC(N)=O ZINC001231398432 780466497 /nfs/dbraw/zinc/46/64/97/780466497.db2.gz HFWJSJKXTSXUHJ-JTQLQIEISA-N 1 2 282.344 -1.327 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CC[C@H]1CN(C)C(=O)CC(N)=O ZINC001231358370 780466541 /nfs/dbraw/zinc/46/65/41/780466541.db2.gz GBYPEZXMLVFEOW-YUMQZZPRSA-N 1 2 256.306 -1.732 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CC[C@H]1CN(C)C(=O)CC(N)=O ZINC001231358370 780466543 /nfs/dbraw/zinc/46/65/43/780466543.db2.gz GBYPEZXMLVFEOW-YUMQZZPRSA-N 1 2 256.306 -1.732 20 0 CAADLO NC(=O)N1CC[NH+](C[C@H](O)CN2CCOCC2)CC1 ZINC000721658972 780467377 /nfs/dbraw/zinc/46/73/77/780467377.db2.gz YQHNEHZTJZTJBO-NSHDSACASA-N 1 2 272.349 -1.624 20 0 CAADLO NC(=O)N1CCN(C[C@H](O)C[NH+]2CCOCC2)CC1 ZINC000721658972 780467384 /nfs/dbraw/zinc/46/73/84/780467384.db2.gz YQHNEHZTJZTJBO-NSHDSACASA-N 1 2 272.349 -1.624 20 0 CAADLO CN1CCN(C2C[NH+](Cc3c[nH]c(=O)[nH]c3=O)C2)CC1=O ZINC001231702940 780467759 /nfs/dbraw/zinc/46/77/59/780467759.db2.gz ILFLGPCSGLQSCF-UHFFFAOYSA-N 1 2 293.327 -1.154 20 0 CAADLO CCNC(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)CC(N)=O ZINC001231398994 780467765 /nfs/dbraw/zinc/46/77/65/780467765.db2.gz VEPJIBGSTIKRNA-VIFPVBQESA-N 1 2 270.333 -1.469 20 0 CAADLO CCNC(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)CC(N)=O ZINC001231398994 780467768 /nfs/dbraw/zinc/46/77/68/780467768.db2.gz VEPJIBGSTIKRNA-VIFPVBQESA-N 1 2 270.333 -1.469 20 0 CAADLO CCNC(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)CC(N)=O ZINC001231398993 780467903 /nfs/dbraw/zinc/46/79/03/780467903.db2.gz VEPJIBGSTIKRNA-SECBINFHSA-N 1 2 270.333 -1.469 20 0 CAADLO CCNC(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)CC(N)=O ZINC001231398993 780467904 /nfs/dbraw/zinc/46/79/04/780467904.db2.gz VEPJIBGSTIKRNA-SECBINFHSA-N 1 2 270.333 -1.469 20 0 CAADLO CN(C[C@@H]1CC[N@@H+]1[C@@H]1CCC(=O)NC1=O)C(=O)CC(N)=O ZINC001231399450 780467980 /nfs/dbraw/zinc/46/79/80/780467980.db2.gz ZSDIVNMYDKSEOQ-DTWKUNHWSA-N 1 2 296.327 -1.800 20 0 CAADLO CN(C[C@@H]1CC[N@H+]1[C@@H]1CCC(=O)NC1=O)C(=O)CC(N)=O ZINC001231399450 780467983 /nfs/dbraw/zinc/46/79/83/780467983.db2.gz ZSDIVNMYDKSEOQ-DTWKUNHWSA-N 1 2 296.327 -1.800 20 0 CAADLO Cn1cc(C[N@@H+]2C[C@@H]3COC[C@H](C2)C3=O)c(=O)n(C)c1=O ZINC001231770963 780468688 /nfs/dbraw/zinc/46/86/88/780468688.db2.gz BWWVFQNHQVCMLL-PHIMTYICSA-N 1 2 293.323 -1.269 20 0 CAADLO Cn1cc(C[N@H+]2C[C@@H]3COC[C@H](C2)C3=O)c(=O)n(C)c1=O ZINC001231770963 780468693 /nfs/dbraw/zinc/46/86/93/780468693.db2.gz BWWVFQNHQVCMLL-PHIMTYICSA-N 1 2 293.323 -1.269 20 0 CAADLO Cn1cc(C[N@H+]2CC(=O)N3CCC[C@H]3C2)c(=O)n(C)c1=O ZINC001231770622 780469069 /nfs/dbraw/zinc/46/90/69/780469069.db2.gz PGZYWRMBCBWQJB-NSHDSACASA-N 1 2 292.339 -1.109 20 0 CAADLO Cn1cc(C[N@@H+]2CC(=O)N3CCC[C@H]3C2)c(=O)n(C)c1=O ZINC001231770622 780469073 /nfs/dbraw/zinc/46/90/73/780469073.db2.gz PGZYWRMBCBWQJB-NSHDSACASA-N 1 2 292.339 -1.109 20 0 CAADLO CC(=O)NC1C[NH+](Cc2cn(C)c(=O)n(C)c2=O)C1 ZINC001231772019 780469143 /nfs/dbraw/zinc/46/91/43/780469143.db2.gz IOGVBSVVTUZQEU-UHFFFAOYSA-N 1 2 266.301 -1.596 20 0 CAADLO Cn1cc(C[NH+]2CC3(C2)CS(=O)C3)c(=O)n(C)c1=O ZINC001231768801 780469565 /nfs/dbraw/zinc/46/95/65/780469565.db2.gz BPPUHRFYDCPKKQ-UHFFFAOYSA-N 1 2 283.353 -1.352 20 0 CAADLO CN(C(=O)C[C@@H]1CCNC1=O)C1C[NH+](CCOCCO)C1 ZINC001277611365 780470092 /nfs/dbraw/zinc/47/00/92/780470092.db2.gz ZRPJDBPSUVIYCX-NSHDSACASA-N 1 2 299.371 -1.336 20 0 CAADLO CCOC(=O)C[C@H](O)C[NH+]1CCN(C(N)=O)CC1 ZINC000721685496 780470166 /nfs/dbraw/zinc/47/01/66/780470166.db2.gz ZGIAESSICBVZEK-VIFPVBQESA-N 1 2 259.306 -1.003 20 0 CAADLO CN(C(=O)CC(N)=O)[C@H](C[NH2+]Cc1nnn(C)n1)C1CC1 ZINC001277630045 780470256 /nfs/dbraw/zinc/47/02/56/780470256.db2.gz UUVZDNDBJWTPSA-SECBINFHSA-N 1 2 295.347 -1.588 20 0 CAADLO CN(C(=O)[C@@H]1CCC(=O)NC1)C1C[NH+](CCOCCO)C1 ZINC001277618144 780470327 /nfs/dbraw/zinc/47/03/27/780470327.db2.gz NKPIQDIWMKJBMD-LLVKDONJSA-N 1 2 299.371 -1.336 20 0 CAADLO C[C@H](CN(C)C(=O)CC(N)=O)[NH2+]Cc1nc(N(C)C)no1 ZINC001277782661 780471908 /nfs/dbraw/zinc/47/19/08/780471908.db2.gz QREJDLOMDUFTSO-MRVPVSSYSA-N 1 2 298.347 -1.053 20 0 CAADLO CN(C(=O)Cn1cncn1)C1C[NH+](CCOCCO)C1 ZINC001277691493 780472011 /nfs/dbraw/zinc/47/20/11/780472011.db2.gz HLBAYHWGGZKQHE-UHFFFAOYSA-N 1 2 283.332 -1.570 20 0 CAADLO C[C@@H](CN(C)C(=O)CC(N)=O)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001277780145 780472349 /nfs/dbraw/zinc/47/23/49/780472349.db2.gz BNUVBMFGEIWGDP-ZETCQYMHSA-N 1 2 284.320 -2.080 20 0 CAADLO C[N@H+](CCCNC(=O)CNC(N)=O)CCS(C)(=O)=O ZINC001233705419 780473200 /nfs/dbraw/zinc/47/32/00/780473200.db2.gz HTYMVSZBEUSJKI-UHFFFAOYSA-N 1 2 294.377 -1.863 20 0 CAADLO C[N@@H+](CCCNC(=O)CNC(N)=O)CCS(C)(=O)=O ZINC001233705419 780473202 /nfs/dbraw/zinc/47/32/02/780473202.db2.gz HTYMVSZBEUSJKI-UHFFFAOYSA-N 1 2 294.377 -1.863 20 0 CAADLO Cc1nnc(C[N@H+](C)CCCNC(=O)CNC(N)=O)o1 ZINC001233705515 780473292 /nfs/dbraw/zinc/47/32/92/780473292.db2.gz JPKUYQWCEUFVDC-UHFFFAOYSA-N 1 2 284.320 -1.016 20 0 CAADLO Cc1nnc(C[N@@H+](C)CCCNC(=O)CNC(N)=O)o1 ZINC001233705515 780473299 /nfs/dbraw/zinc/47/32/99/780473299.db2.gz JPKUYQWCEUFVDC-UHFFFAOYSA-N 1 2 284.320 -1.016 20 0 CAADLO C[N@H+](CCCNC(=O)CNC(N)=O)Cc1cnon1 ZINC001233712606 780473433 /nfs/dbraw/zinc/47/34/33/780473433.db2.gz BTEBMSWTCIIWML-UHFFFAOYSA-N 1 2 270.293 -1.324 20 0 CAADLO C[N@@H+](CCCNC(=O)CNC(N)=O)Cc1cnon1 ZINC001233712606 780473439 /nfs/dbraw/zinc/47/34/39/780473439.db2.gz BTEBMSWTCIIWML-UHFFFAOYSA-N 1 2 270.293 -1.324 20 0 CAADLO Cn1[nH]c(C[N@H+](C)CCCNC(=O)CNC(N)=O)nc1=O ZINC001233706113 780474032 /nfs/dbraw/zinc/47/40/32/780474032.db2.gz RPIWWCNKDMTNTA-UHFFFAOYSA-N 1 2 299.335 -2.285 20 0 CAADLO Cn1[nH]c(C[N@@H+](C)CCCNC(=O)CNC(N)=O)nc1=O ZINC001233706113 780474034 /nfs/dbraw/zinc/47/40/34/780474034.db2.gz RPIWWCNKDMTNTA-UHFFFAOYSA-N 1 2 299.335 -2.285 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CC[C@@H]1CN(C)C(=O)CN1CCOCC1 ZINC001233751640 780474739 /nfs/dbraw/zinc/47/47/39/780474739.db2.gz ODULSGGOFNKKGT-VXGBXAGGSA-N 1 2 298.387 -1.275 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CC[C@@H]1CN(C)C(=O)CN1CCOCC1 ZINC001233751640 780474745 /nfs/dbraw/zinc/47/47/45/780474745.db2.gz ODULSGGOFNKKGT-VXGBXAGGSA-N 1 2 298.387 -1.275 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CC[C@H]1CN(C)C(=O)CN1CCOCC1 ZINC001233751639 780475084 /nfs/dbraw/zinc/47/50/84/780475084.db2.gz ODULSGGOFNKKGT-RYUDHWBXSA-N 1 2 298.387 -1.275 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CC[C@H]1CN(C)C(=O)CN1CCOCC1 ZINC001233751639 780475087 /nfs/dbraw/zinc/47/50/87/780475087.db2.gz ODULSGGOFNKKGT-RYUDHWBXSA-N 1 2 298.387 -1.275 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)CN1CCOCC1 ZINC001233750783 780475550 /nfs/dbraw/zinc/47/55/50/780475550.db2.gz IEORBOBCTCJRJL-GFCCVEGCSA-N 1 2 298.387 -1.403 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)CN1CCOCC1 ZINC001233750783 780475554 /nfs/dbraw/zinc/47/55/54/780475554.db2.gz IEORBOBCTCJRJL-GFCCVEGCSA-N 1 2 298.387 -1.403 20 0 CAADLO CNC(=O)CC(=O)N(C)C[C@@H]1CC[N@@H+]1CC(=O)N(C)C ZINC001233881649 780476273 /nfs/dbraw/zinc/47/62/73/780476273.db2.gz SBWSZPLZBQMBEH-JTQLQIEISA-N 1 2 284.360 -1.257 20 0 CAADLO CNC(=O)CC(=O)N(C)C[C@@H]1CC[N@H+]1CC(=O)N(C)C ZINC001233881649 780476278 /nfs/dbraw/zinc/47/62/78/780476278.db2.gz SBWSZPLZBQMBEH-JTQLQIEISA-N 1 2 284.360 -1.257 20 0 CAADLO CNC(=O)CC(=O)N(C)C[C@H]1CC[N@H+]1CC(=O)NC ZINC001233878819 780476927 /nfs/dbraw/zinc/47/69/27/780476927.db2.gz AFSVQVVLMKTRAM-SECBINFHSA-N 1 2 270.333 -1.599 20 0 CAADLO CNC(=O)CC(=O)N(C)C[C@H]1CC[N@@H+]1CC(=O)NC ZINC001233878819 780476930 /nfs/dbraw/zinc/47/69/30/780476930.db2.gz AFSVQVVLMKTRAM-SECBINFHSA-N 1 2 270.333 -1.599 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)CN1CN=NC1=O ZINC001233846364 780476957 /nfs/dbraw/zinc/47/69/57/780476957.db2.gz GJQRMSLNBQLIJE-VIFPVBQESA-N 1 2 296.331 -1.738 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)CN1CN=NC1=O ZINC001233846364 780476961 /nfs/dbraw/zinc/47/69/61/780476961.db2.gz GJQRMSLNBQLIJE-VIFPVBQESA-N 1 2 296.331 -1.738 20 0 CAADLO CCNC(=O)CC(=O)N(C)C[C@H]1CC[N@@H+]1[C@H](C)C(N)=O ZINC001233830046 780477093 /nfs/dbraw/zinc/47/70/93/780477093.db2.gz VPYZKVXUYOSKNG-NXEZZACHSA-N 1 2 284.360 -1.081 20 0 CAADLO CCNC(=O)CC(=O)N(C)C[C@H]1CC[N@H+]1[C@H](C)C(N)=O ZINC001233830046 780477098 /nfs/dbraw/zinc/47/70/98/780477098.db2.gz VPYZKVXUYOSKNG-NXEZZACHSA-N 1 2 284.360 -1.081 20 0 CAADLO CNC(=O)CC(=O)N(C)C[C@@H]1CC[N@@H+]1[C@H](C)C(N)=O ZINC001233881875 780477144 /nfs/dbraw/zinc/47/71/44/780477144.db2.gz VGADARWNFIKRNZ-BDAKNGLRSA-N 1 2 270.333 -1.471 20 0 CAADLO CNC(=O)CC(=O)N(C)C[C@@H]1CC[N@H+]1[C@H](C)C(N)=O ZINC001233881875 780477147 /nfs/dbraw/zinc/47/71/47/780477147.db2.gz VGADARWNFIKRNZ-BDAKNGLRSA-N 1 2 270.333 -1.471 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CC[C@H]1CN(C)C(=O)CN1CN=NC1=O ZINC001233846124 780477336 /nfs/dbraw/zinc/47/73/36/780477336.db2.gz DRKCNYDFDAXVSI-IUCAKERBSA-N 1 2 296.331 -1.610 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CC[C@H]1CN(C)C(=O)CN1CN=NC1=O ZINC001233846124 780477339 /nfs/dbraw/zinc/47/73/39/780477339.db2.gz DRKCNYDFDAXVSI-IUCAKERBSA-N 1 2 296.331 -1.610 20 0 CAADLO CNC(=O)CC(=O)N(C)C[C@@H]1CC[N@@H+]1[C@H](C)C(=O)NC ZINC001233879096 780477387 /nfs/dbraw/zinc/47/73/87/780477387.db2.gz DPRIATBFKBZJHY-ZJUUUORDSA-N 1 2 284.360 -1.210 20 0 CAADLO CNC(=O)CC(=O)N(C)C[C@@H]1CC[N@H+]1[C@H](C)C(=O)NC ZINC001233879096 780477390 /nfs/dbraw/zinc/47/73/90/780477390.db2.gz DPRIATBFKBZJHY-ZJUUUORDSA-N 1 2 284.360 -1.210 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)CCNC(=O)NC ZINC001234060762 780477975 /nfs/dbraw/zinc/47/79/75/780477975.db2.gz VCYIJFJYZAGSDI-JTQLQIEISA-N 1 2 299.375 -1.416 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)CCNC(=O)NC ZINC001234060762 780477996 /nfs/dbraw/zinc/47/79/96/780477996.db2.gz VCYIJFJYZAGSDI-JTQLQIEISA-N 1 2 299.375 -1.416 20 0 CAADLO COC(=O)CN1CC2(C1)C[NH+](CC(=O)N(C)C)C2 ZINC001277821873 780478061 /nfs/dbraw/zinc/47/80/61/780478061.db2.gz RAAYMZHOHZDSMH-UHFFFAOYSA-N 1 2 255.318 -1.135 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)CCn1ccnn1 ZINC001233906901 780478586 /nfs/dbraw/zinc/47/85/86/780478586.db2.gz LUCLXYZBPCTBKW-LLVKDONJSA-N 1 2 294.359 -1.053 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)CCn1ccnn1 ZINC001233906901 780478588 /nfs/dbraw/zinc/47/85/88/780478588.db2.gz LUCLXYZBPCTBKW-LLVKDONJSA-N 1 2 294.359 -1.053 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CC[C@@H]1CN(C)C(=O)Cn1ncnn1 ZINC001234367358 780481204 /nfs/dbraw/zinc/48/12/04/780481204.db2.gz UZMOLYSILVPNKH-RKDXNWHRSA-N 1 2 281.320 -1.920 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CC[C@@H]1CN(C)C(=O)Cn1ncnn1 ZINC001234367358 780481207 /nfs/dbraw/zinc/48/12/07/780481207.db2.gz UZMOLYSILVPNKH-RKDXNWHRSA-N 1 2 281.320 -1.920 20 0 CAADLO CC[C@@H](C(N)=O)[N@@H+]1CC[C@@H]1CN(C)C(=O)Cn1ncnn1 ZINC001234366233 780481310 /nfs/dbraw/zinc/48/13/10/780481310.db2.gz KECYANKPIXLVBL-ZJUUUORDSA-N 1 2 295.347 -1.530 20 0 CAADLO CC[C@@H](C(N)=O)[N@H+]1CC[C@@H]1CN(C)C(=O)Cn1ncnn1 ZINC001234366233 780481315 /nfs/dbraw/zinc/48/13/15/780481315.db2.gz KECYANKPIXLVBL-ZJUUUORDSA-N 1 2 295.347 -1.530 20 0 CAADLO CC[C@H](C(N)=O)[N@@H+]1CC[C@@H]1CN(C)C(=O)Cn1ncnn1 ZINC001234366217 780481505 /nfs/dbraw/zinc/48/15/05/780481505.db2.gz KECYANKPIXLVBL-NXEZZACHSA-N 1 2 295.347 -1.530 20 0 CAADLO CC[C@H](C(N)=O)[N@H+]1CC[C@@H]1CN(C)C(=O)Cn1ncnn1 ZINC001234366217 780481511 /nfs/dbraw/zinc/48/15/11/780481511.db2.gz KECYANKPIXLVBL-NXEZZACHSA-N 1 2 295.347 -1.530 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+]1CC[C@H]1CN(C)C(=O)Cn1ncnn1 ZINC001234367272 780481664 /nfs/dbraw/zinc/48/16/64/780481664.db2.gz SDYSRHFKHZWPHD-ZJUUUORDSA-N 1 2 295.347 -1.660 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+]1CC[C@H]1CN(C)C(=O)Cn1ncnn1 ZINC001234367272 780481671 /nfs/dbraw/zinc/48/16/71/780481671.db2.gz SDYSRHFKHZWPHD-ZJUUUORDSA-N 1 2 295.347 -1.660 20 0 CAADLO CN(C)C(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)Cn1ncnn1 ZINC001234355903 780481722 /nfs/dbraw/zinc/48/17/22/780481722.db2.gz BXVSSTSPUOMETD-SNVBAGLBSA-N 1 2 295.347 -1.706 20 0 CAADLO CN(C)C(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)Cn1ncnn1 ZINC001234355903 780481726 /nfs/dbraw/zinc/48/17/26/780481726.db2.gz BXVSSTSPUOMETD-SNVBAGLBSA-N 1 2 295.347 -1.706 20 0 CAADLO CC[C@H](C(N)=O)[N@@H+]1CC[C@H]1CN(C)C(=O)Cn1ncnn1 ZINC001234366230 780481943 /nfs/dbraw/zinc/48/19/43/780481943.db2.gz KECYANKPIXLVBL-VHSXEESVSA-N 1 2 295.347 -1.530 20 0 CAADLO CC[C@H](C(N)=O)[N@H+]1CC[C@H]1CN(C)C(=O)Cn1ncnn1 ZINC001234366230 780481946 /nfs/dbraw/zinc/48/19/46/780481946.db2.gz KECYANKPIXLVBL-VHSXEESVSA-N 1 2 295.347 -1.530 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+]1CC[C@@H]1CN(C)C(=O)Cn1ncnn1 ZINC001234367271 780481972 /nfs/dbraw/zinc/48/19/72/780481972.db2.gz SDYSRHFKHZWPHD-VHSXEESVSA-N 1 2 295.347 -1.660 20 0 CAADLO CNC(=O)[C@H](C)[N@H+]1CC[C@@H]1CN(C)C(=O)Cn1ncnn1 ZINC001234367271 780481978 /nfs/dbraw/zinc/48/19/78/780481978.db2.gz SDYSRHFKHZWPHD-VHSXEESVSA-N 1 2 295.347 -1.660 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+]1CC[C@@H]1CN(C)C(=O)Cn1ncnn1 ZINC001234367269 780482147 /nfs/dbraw/zinc/48/21/47/780482147.db2.gz SDYSRHFKHZWPHD-NXEZZACHSA-N 1 2 295.347 -1.660 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+]1CC[C@@H]1CN(C)C(=O)Cn1ncnn1 ZINC001234367269 780482152 /nfs/dbraw/zinc/48/21/52/780482152.db2.gz SDYSRHFKHZWPHD-NXEZZACHSA-N 1 2 295.347 -1.660 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)Cn1ncnn1 ZINC001234357479 780482194 /nfs/dbraw/zinc/48/21/94/780482194.db2.gz SLXVTPBILVLOBM-VIFPVBQESA-N 1 2 281.320 -2.048 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)Cn1ncnn1 ZINC001234357479 780482199 /nfs/dbraw/zinc/48/21/99/780482199.db2.gz SLXVTPBILVLOBM-VIFPVBQESA-N 1 2 281.320 -2.048 20 0 CAADLO CN(C[C@H]1CC[N@@H+]1[C@@H]1CCNC1=O)C(=O)Cn1ncnn1 ZINC001234377194 780484005 /nfs/dbraw/zinc/48/40/05/780484005.db2.gz CRAXAXGJQZKUFC-NXEZZACHSA-N 1 2 293.331 -1.906 20 0 CAADLO CN(C[C@H]1CC[N@H+]1[C@@H]1CCNC1=O)C(=O)Cn1ncnn1 ZINC001234377194 780484011 /nfs/dbraw/zinc/48/40/11/780484011.db2.gz CRAXAXGJQZKUFC-NXEZZACHSA-N 1 2 293.331 -1.906 20 0 CAADLO CCNC(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)Cn1ncnn1 ZINC001234377059 780484201 /nfs/dbraw/zinc/48/42/01/780484201.db2.gz ATZZXCCTGCAADX-JTQLQIEISA-N 1 2 295.347 -1.658 20 0 CAADLO CCNC(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)Cn1ncnn1 ZINC001234377059 780484206 /nfs/dbraw/zinc/48/42/06/780484206.db2.gz ATZZXCCTGCAADX-JTQLQIEISA-N 1 2 295.347 -1.658 20 0 CAADLO CCNC(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)Cn1nccn1 ZINC001234573346 780487283 /nfs/dbraw/zinc/48/72/83/780487283.db2.gz INKIILWKFBRGLT-LLVKDONJSA-N 1 2 294.359 -1.053 20 0 CAADLO CCNC(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)Cn1nccn1 ZINC001234573346 780487286 /nfs/dbraw/zinc/48/72/86/780487286.db2.gz INKIILWKFBRGLT-LLVKDONJSA-N 1 2 294.359 -1.053 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CC[C@@H]1CN(C)C(=O)Cn1nccn1 ZINC001234573755 780487311 /nfs/dbraw/zinc/48/73/11/780487311.db2.gz LXVFZECPVDHNMT-VHSXEESVSA-N 1 2 280.332 -1.315 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CC[C@@H]1CN(C)C(=O)Cn1nccn1 ZINC001234573755 780487313 /nfs/dbraw/zinc/48/73/13/780487313.db2.gz LXVFZECPVDHNMT-VHSXEESVSA-N 1 2 280.332 -1.315 20 0 CAADLO CN(C)C(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)Cn1nccn1 ZINC001234574832 780487364 /nfs/dbraw/zinc/48/73/64/780487364.db2.gz XRUSOSVPOLVVKF-LLVKDONJSA-N 1 2 294.359 -1.101 20 0 CAADLO CN(C)C(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)Cn1nccn1 ZINC001234574832 780487368 /nfs/dbraw/zinc/48/73/68/780487368.db2.gz XRUSOSVPOLVVKF-LLVKDONJSA-N 1 2 294.359 -1.101 20 0 CAADLO CC(=O)NCC[NH+]1CC2(CN(C(=O)c3ncnn3C)C2)C1 ZINC001277906518 780487383 /nfs/dbraw/zinc/48/73/83/780487383.db2.gz ZSROMUQTUJALEB-UHFFFAOYSA-N 1 2 292.343 -1.291 20 0 CAADLO CC(=O)NCC[N@@H+]1C[C@H]2CN(CC(=O)N(C)C)C[C@@H](C1)O2 ZINC001277905559 780487414 /nfs/dbraw/zinc/48/74/14/780487414.db2.gz HGOFGJJPZIBSDM-BETUJISGSA-N 1 2 298.387 -1.404 20 0 CAADLO CC(=O)NCC[N@H+]1C[C@H]2CN(CC(=O)N(C)C)C[C@@H](C1)O2 ZINC001277905559 780487419 /nfs/dbraw/zinc/48/74/19/780487419.db2.gz HGOFGJJPZIBSDM-BETUJISGSA-N 1 2 298.387 -1.404 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+]1CC[C@@H]1CN(C)C(=O)Cn1nccn1 ZINC001234582550 780487746 /nfs/dbraw/zinc/48/77/46/780487746.db2.gz CLEPPZATKSXZDO-GHMZBOCLSA-N 1 2 294.359 -1.055 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+]1CC[C@@H]1CN(C)C(=O)Cn1nccn1 ZINC001234582550 780487754 /nfs/dbraw/zinc/48/77/54/780487754.db2.gz CLEPPZATKSXZDO-GHMZBOCLSA-N 1 2 294.359 -1.055 20 0 CAADLO C[N@H+](CCCNC(=O)CS(C)(=O)=O)[C@H]1CCNC1=O ZINC001234984407 780488975 /nfs/dbraw/zinc/48/89/75/780488975.db2.gz PSVLVYKQYWHXNC-VIFPVBQESA-N 1 2 291.373 -1.642 20 0 CAADLO C[N@@H+](CCCNC(=O)CS(C)(=O)=O)[C@H]1CCNC1=O ZINC001234984407 780488984 /nfs/dbraw/zinc/48/89/84/780488984.db2.gz PSVLVYKQYWHXNC-VIFPVBQESA-N 1 2 291.373 -1.642 20 0 CAADLO Cc1nonc1C[NH2+][C@H](C)CN(C)C(=O)C(N)=O ZINC001277921797 780489011 /nfs/dbraw/zinc/48/90/11/780489011.db2.gz JRFVDKXBUSBIEJ-ZCFIWIBFSA-N 1 2 255.278 -1.200 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)C[C@H]1CCNC1=O ZINC001235280231 780490574 /nfs/dbraw/zinc/49/05/74/780490574.db2.gz IFRKZBYZWMPARJ-GHMZBOCLSA-N 1 2 296.371 -1.209 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)C[C@H]1CCNC1=O ZINC001235280231 780490579 /nfs/dbraw/zinc/49/05/79/780490579.db2.gz IFRKZBYZWMPARJ-GHMZBOCLSA-N 1 2 296.371 -1.209 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)C[C@@H]1CCNC1=O ZINC001235280235 780490952 /nfs/dbraw/zinc/49/09/52/780490952.db2.gz IFRKZBYZWMPARJ-WDEREUQCSA-N 1 2 296.371 -1.209 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)C[C@@H]1CCNC1=O ZINC001235280235 780490956 /nfs/dbraw/zinc/49/09/56/780490956.db2.gz IFRKZBYZWMPARJ-WDEREUQCSA-N 1 2 296.371 -1.209 20 0 CAADLO C[C@H](CN(C)C(=O)C(N)=O)[NH2+]Cc1csnn1 ZINC001277923209 780491020 /nfs/dbraw/zinc/49/10/20/780491020.db2.gz XKMSIQFQLKRBMP-ZCFIWIBFSA-N 1 2 257.319 -1.040 20 0 CAADLO CCN1C[C@@]23C[N@H+](CCO)C[C@@H](C[C@@H]2S1(=O)=O)O3 ZINC001235515691 780492433 /nfs/dbraw/zinc/49/24/33/780492433.db2.gz FMLVNHHJDIBHKS-VWYCJHECSA-N 1 2 276.358 -1.144 20 0 CAADLO CCN1C[C@@]23C[N@@H+](CCO)C[C@@H](C[C@@H]2S1(=O)=O)O3 ZINC001235515691 780492438 /nfs/dbraw/zinc/49/24/38/780492438.db2.gz FMLVNHHJDIBHKS-VWYCJHECSA-N 1 2 276.358 -1.144 20 0 CAADLO C[C@H](O)C[N@@H+]1C[C@@H]2COC[C@H](C1)N2S(=O)(=O)N(C)C ZINC001277963914 780494035 /nfs/dbraw/zinc/49/40/35/780494035.db2.gz YMZKMWFNVKDXAJ-GARJFASQSA-N 1 2 293.389 -1.441 20 0 CAADLO C[C@H](O)C[N@H+]1C[C@@H]2COC[C@H](C1)N2S(=O)(=O)N(C)C ZINC001277963914 780494043 /nfs/dbraw/zinc/49/40/43/780494043.db2.gz YMZKMWFNVKDXAJ-GARJFASQSA-N 1 2 293.389 -1.441 20 0 CAADLO NC(=O)CN1C[C@@H]2OCCN(CCn3cc[nH+]c3)[C@H]2C1 ZINC001277981295 780496293 /nfs/dbraw/zinc/49/62/93/780496293.db2.gz JNHXUUALIHPQHE-RYUDHWBXSA-N 1 2 279.344 -1.247 20 0 CAADLO CN(C)S(=O)(=O)N1C[C@H]2C[C@@H](C1)[N@H+](CC(N)=O)C2 ZINC001277985420 780497371 /nfs/dbraw/zinc/49/73/71/780497371.db2.gz DLFRTDPVRBCMEX-IUCAKERBSA-N 1 2 276.362 -1.716 20 0 CAADLO CN(C)S(=O)(=O)N1C[C@H]2C[C@@H](C1)[N@@H+](CC(N)=O)C2 ZINC001277985420 780497377 /nfs/dbraw/zinc/49/73/77/780497377.db2.gz DLFRTDPVRBCMEX-IUCAKERBSA-N 1 2 276.362 -1.716 20 0 CAADLO CN(C)C(=O)CN1C[C@@H]2CC[N@H+](CC(N)=O)[C@@H]2C1 ZINC001277982082 780497657 /nfs/dbraw/zinc/49/76/57/780497657.db2.gz SIHPEHOXQKCXKP-VHSXEESVSA-N 1 2 254.334 -1.434 20 0 CAADLO CN(C)C(=O)CN1C[C@@H]2CC[N@@H+](CC(N)=O)[C@@H]2C1 ZINC001277982082 780497660 /nfs/dbraw/zinc/49/76/60/780497660.db2.gz SIHPEHOXQKCXKP-VHSXEESVSA-N 1 2 254.334 -1.434 20 0 CAADLO CNC(=O)C[NH+]1CC2(C1)CCN(C(=O)c1ncnn1C)C2 ZINC001278007435 780497835 /nfs/dbraw/zinc/49/78/35/780497835.db2.gz QRPYROYWWSYVKP-UHFFFAOYSA-N 1 2 292.343 -1.291 20 0 CAADLO CC[C@@H](C(N)=O)[NH+]1CC2(CN(C(=O)c3ncnn3C)C2)C1 ZINC001278029905 780498614 /nfs/dbraw/zinc/49/86/14/780498614.db2.gz XMNDWQNOJSAHBZ-VIFPVBQESA-N 1 2 292.343 -1.163 20 0 CAADLO CC[C@@H](C(N)=O)[N@@H+]1C[C@@H]2COC[C@H](C1)N2CC(=O)N(C)C ZINC001278029640 780498986 /nfs/dbraw/zinc/49/89/86/780498986.db2.gz SFLRKWYXNNTHAS-TUAOUCFPSA-N 1 2 298.387 -1.277 20 0 CAADLO CC[C@@H](C(N)=O)[N@H+]1C[C@@H]2COC[C@H](C1)N2CC(=O)N(C)C ZINC001278029640 780498992 /nfs/dbraw/zinc/49/89/92/780498992.db2.gz SFLRKWYXNNTHAS-TUAOUCFPSA-N 1 2 298.387 -1.277 20 0 CAADLO CC[C@H](C(N)=O)[N@@H+]1C[C@@H]2COC[C@H](C1)N2CC(=O)N(C)C ZINC001278029638 780499209 /nfs/dbraw/zinc/49/92/09/780499209.db2.gz SFLRKWYXNNTHAS-GRYCIOLGSA-N 1 2 298.387 -1.277 20 0 CAADLO CC[C@H](C(N)=O)[N@H+]1C[C@@H]2COC[C@H](C1)N2CC(=O)N(C)C ZINC001278029638 780499213 /nfs/dbraw/zinc/49/92/13/780499213.db2.gz SFLRKWYXNNTHAS-GRYCIOLGSA-N 1 2 298.387 -1.277 20 0 CAADLO Cn1ncnc1C[NH2+][C@H](CO)CNC(=O)C(=O)C(C)(C)C ZINC001278054596 780501994 /nfs/dbraw/zinc/50/19/94/780501994.db2.gz UFKLRDYQVSYWCQ-VIFPVBQESA-N 1 2 297.359 -1.003 20 0 CAADLO Cn1ncnc1C[NH2+][C@H](CO)CNC(=O)CC(N)=O ZINC001278061947 780503440 /nfs/dbraw/zinc/50/34/40/780503440.db2.gz ODOGUXCDQDZTJY-ZETCQYMHSA-N 1 2 270.293 -2.743 20 0 CAADLO Cn1ncnc1C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCNC1=O ZINC001278127663 780507983 /nfs/dbraw/zinc/50/79/83/780507983.db2.gz CBVJIPQDDCQBGO-RKDXNWHRSA-N 1 2 296.331 -2.482 20 0 CAADLO Cc1nc(C[NH2+][C@@H](CO)CNC(=O)[C@H]2CCNC2=O)co1 ZINC001278129320 780508805 /nfs/dbraw/zinc/50/88/05/780508805.db2.gz LPGPKLWMQIWOBF-KOLCDFICSA-N 1 2 296.327 -1.314 20 0 CAADLO Cc1csc(C[NH2+][C@@H](CO)CNC(=O)C(N)=O)n1 ZINC001278146325 780509524 /nfs/dbraw/zinc/50/95/24/780509524.db2.gz FTQJCNFSVILZFQ-SSDOTTSWSA-N 1 2 272.330 -1.496 20 0 CAADLO Cn1cc(S(=O)(=O)N[C@@H]2C[NH2+]CCC2=O)cn1 ZINC001238628923 780520459 /nfs/dbraw/zinc/52/04/59/780520459.db2.gz VVGDLHJFRUHPLG-MRVPVSSYSA-N 1 2 258.303 -1.371 20 0 CAADLO CCOC(=O)CS(=O)(=O)N[C@H]1C[NH2+]CCC1=O ZINC001238626739 780520813 /nfs/dbraw/zinc/52/08/13/780520813.db2.gz IAGBGNZDSGEFRL-ZETCQYMHSA-N 1 2 264.303 -1.600 20 0 CAADLO COC(=O)CCCS(=O)(=O)N[C@H]1C[NH2+]CCC1=O ZINC001238624090 780520982 /nfs/dbraw/zinc/52/09/82/780520982.db2.gz CMFIMQQKIDRVPO-QMMMGPOBSA-N 1 2 278.330 -1.210 20 0 CAADLO CS(=O)(=O)CS(=O)(=O)N[C@H]1C[NH2+]CCC1=O ZINC001238627118 780521090 /nfs/dbraw/zinc/52/10/90/780521090.db2.gz KDKOVPVFTGXZEN-LURJTMIESA-N 1 2 270.332 -2.161 20 0 CAADLO C[C@]1(NC(=O)CC(N)=O)CC[N@H+](CCS(C)(=O)=O)C1 ZINC001278376237 780537830 /nfs/dbraw/zinc/53/78/30/780537830.db2.gz YOXUBVZOUMJKGO-NSHDSACASA-N 1 2 291.373 -1.513 20 0 CAADLO C[C@]1(NC(=O)CC(N)=O)CC[N@@H+](CCS(C)(=O)=O)C1 ZINC001278376237 780537838 /nfs/dbraw/zinc/53/78/38/780537838.db2.gz YOXUBVZOUMJKGO-NSHDSACASA-N 1 2 291.373 -1.513 20 0 CAADLO OCc1ncn2c1CN(C[C@@H](O)C[NH+]1CCOCC1)CC2 ZINC001246034547 780541929 /nfs/dbraw/zinc/54/19/29/780541929.db2.gz DOPRGYHRCCEDPW-LBPRGKRZSA-N 1 2 296.371 -1.116 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@](C)(NC(=O)C(=O)NCC2CC2)C1 ZINC001278433618 780546006 /nfs/dbraw/zinc/54/60/06/780546006.db2.gz LIVKUCLTSKUHKR-AWEZNQCLSA-N 1 2 296.371 -1.161 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@](C)(NC(=O)C(=O)NCC2CC2)C1 ZINC001278433618 780546009 /nfs/dbraw/zinc/54/60/09/780546009.db2.gz LIVKUCLTSKUHKR-AWEZNQCLSA-N 1 2 296.371 -1.161 20 0 CAADLO COC(=O)[C@@H](N[C@@H]1C[NH2+][C@H](C(=O)OC)C1)[C@@H](C)O ZINC001246154772 780546990 /nfs/dbraw/zinc/54/69/90/780546990.db2.gz UDDVGVSNEVEHNY-XGEHTFHBSA-N 1 2 260.290 -1.598 20 0 CAADLO COC(=O)[C@@H]1C[C@H](Nc2cc(=O)n(C)c(=O)n2C)C[NH2+]1 ZINC001246197342 780548448 /nfs/dbraw/zinc/54/84/48/780548448.db2.gz ZZRHWJMESZNYTN-YUMQZZPRSA-N 1 2 282.300 -1.601 20 0 CAADLO COC(=O)[C@@H]1C[C@@H](Nc2cc(=O)n(C)c(=O)n2C)C[NH2+]1 ZINC001246197341 780548629 /nfs/dbraw/zinc/54/86/29/780548629.db2.gz ZZRHWJMESZNYTN-SFYZADRCSA-N 1 2 282.300 -1.601 20 0 CAADLO COC(=O)C(N[C@H]1C[NH2+][C@H](C(=O)OC)C1)C(=O)OC ZINC001246201026 780548860 /nfs/dbraw/zinc/54/88/60/780548860.db2.gz DNXGQVICOFBUGM-RQJHMYQMSA-N 1 2 274.273 -1.806 20 0 CAADLO COC(=O)[C@@H]1C[C@H](NCc2noc(C(N)=O)n2)C[NH2+]1 ZINC001246239900 780549876 /nfs/dbraw/zinc/54/98/76/780549876.db2.gz DZSKLZWJWXMPSF-WDSKDSINSA-N 1 2 269.261 -1.838 20 0 CAADLO COC(=O)[C@@H]1C[C@H](Nc2cc(=O)[nH]c(=O)n2C)C[NH2+]1 ZINC001246236850 780550096 /nfs/dbraw/zinc/55/00/96/780550096.db2.gz BEMXGGPJWZMNKU-BQBZGAKWSA-N 1 2 268.273 -1.199 20 0 CAADLO COC(=O)[C@@H](N[C@@H]1C[NH2+][C@H](C(=O)OC)C1)C(C)=O ZINC001246260942 780550166 /nfs/dbraw/zinc/55/01/66/780550166.db2.gz CEVLDEHAVXLLLL-CIUDSAMLSA-N 1 2 258.274 -1.390 20 0 CAADLO COC(=O)c1ncc(=O)[nH]c1N[C@@H]1C[NH2+][C@H](C(=O)OC)C1 ZINC001246282073 780550635 /nfs/dbraw/zinc/55/06/35/780550635.db2.gz AKSBLVTWWCCJJH-BQBZGAKWSA-N 1 2 296.283 -1.128 20 0 CAADLO COC(=O)[C@@H]1C[C@H]([NH2+][C@@H]2CNCCC2=O)CCN1 ZINC001246293291 780551219 /nfs/dbraw/zinc/55/12/19/780551219.db2.gz PLWMQLYKNNNFLE-KXUCPTDWSA-N 1 2 255.318 -1.199 20 0 CAADLO CCOC(=O)[C@H](N[C@H]1C[NH2+][C@H](C(=O)OC)C1)[C@@H](C)O ZINC001246269825 780551400 /nfs/dbraw/zinc/55/14/00/780551400.db2.gz YMDKCHGZTRXEAH-DOLQZWNJSA-N 1 2 274.317 -1.208 20 0 CAADLO COC(=O)[C@@H](CON)N[C@@H]1C[NH2+][C@H](C(=O)OC)C1 ZINC001246498636 780555161 /nfs/dbraw/zinc/55/51/61/780555161.db2.gz ZVDBQHFNIHYRES-BIIVOSGPSA-N 1 2 261.278 -2.089 20 0 CAADLO COC(=O)[C@@H]1C[C@H](N[C@]2(C(=O)OC)CCOC2)C[NH2+]1 ZINC001246493938 780555614 /nfs/dbraw/zinc/55/56/14/780555614.db2.gz GUUSPZBQFOABBQ-HOTUBEGUSA-N 1 2 272.301 -1.188 20 0 CAADLO COC(=O)[C@@H]1C[C@@H](N(C)CC(=O)N2CCOCC2)C[NH2+]1 ZINC001246527234 780556678 /nfs/dbraw/zinc/55/66/78/780556678.db2.gz MCPAWTTZLZKYKK-MNOVXSKESA-N 1 2 285.344 -1.320 20 0 CAADLO COC(=O)[C@@H]1CC[C@@H]([N@@H+]2C[C@@H]3COC[C@H](C2)N3)CN1 ZINC001246678543 780562030 /nfs/dbraw/zinc/56/20/30/780562030.db2.gz XAAGAKXFOVQXBB-KXNHARMFSA-N 1 2 269.345 -1.047 20 0 CAADLO COC(=O)[C@@H]1CC[C@@H]([N@H+]2C[C@@H]3COC[C@H](C2)N3)CN1 ZINC001246678543 780562035 /nfs/dbraw/zinc/56/20/35/780562035.db2.gz XAAGAKXFOVQXBB-KXNHARMFSA-N 1 2 269.345 -1.047 20 0 CAADLO COC(=O)[C@@H]1C[C@@H](N2CCC3(CC2)CNC(=O)CO3)C[NH2+]1 ZINC001246872103 780563922 /nfs/dbraw/zinc/56/39/22/780563922.db2.gz FWCWDCMKYVXSHE-MNOVXSKESA-N 1 2 297.355 -1.129 20 0 CAADLO COC(=O)[C@@H]1CC[C@@H]([N@@H+]2CCN3C(=O)COC[C@@H]3C2)CN1 ZINC001246865946 780564912 /nfs/dbraw/zinc/56/49/12/780564912.db2.gz DKASCTMAAUATMP-WOPDTQHZSA-N 1 2 297.355 -1.177 20 0 CAADLO COC(=O)[C@@H]1CC[C@@H]([N@H+]2CCN3C(=O)COC[C@@H]3C2)CN1 ZINC001246865946 780564914 /nfs/dbraw/zinc/56/49/14/780564914.db2.gz DKASCTMAAUATMP-WOPDTQHZSA-N 1 2 297.355 -1.177 20 0 CAADLO COC(=O)[C@@H]1C[C@H](N2CCNC(=O)[C@H]2C(=O)OC)C[NH2+]1 ZINC001247005547 780566293 /nfs/dbraw/zinc/56/62/93/780566293.db2.gz SGQUIXNUSYEUMT-CIUDSAMLSA-N 1 2 285.300 -2.137 20 0 CAADLO CNS(=O)(=O)CC(=O)N1CC(n2cc[nH+]c2)C1 ZINC001252666498 780588479 /nfs/dbraw/zinc/58/84/79/780588479.db2.gz UQZNIPGVUDVLAH-UHFFFAOYSA-N 1 2 258.303 -1.184 20 0 CAADLO NC(=O)C([NH2+]C[C@H](O)COc1cccc(F)c1)C(N)=O ZINC001250823175 780568913 /nfs/dbraw/zinc/56/89/13/780568913.db2.gz XGKCLNNENAYPLT-QMMMGPOBSA-N 1 2 285.275 -1.506 20 0 CAADLO NC(=O)[C@@H]1C[N@H+](C[C@@H](O)CN2CCOCC2)CCO1 ZINC001251019073 780569906 /nfs/dbraw/zinc/56/99/06/780569906.db2.gz QJDGXVWOJXFNLD-QWRGUYRKSA-N 1 2 273.333 -2.134 20 0 CAADLO NC(=O)[C@@H]1C[N@@H+](C[C@@H](O)CN2CCOCC2)CCO1 ZINC001251019073 780569912 /nfs/dbraw/zinc/56/99/12/780569912.db2.gz QJDGXVWOJXFNLD-QWRGUYRKSA-N 1 2 273.333 -2.134 20 0 CAADLO NC(=O)[C@@H]1CN(C[C@@H](O)C[NH+]2CCOCC2)CCO1 ZINC001251019073 780569917 /nfs/dbraw/zinc/56/99/17/780569917.db2.gz QJDGXVWOJXFNLD-QWRGUYRKSA-N 1 2 273.333 -2.134 20 0 CAADLO O[C@@H](CN1CCn2nncc2C1)C[NH+]1CCOCC1 ZINC001251022745 780569954 /nfs/dbraw/zinc/56/99/54/780569954.db2.gz YYURLGGGDRKDBH-GFCCVEGCSA-N 1 2 267.333 -1.213 20 0 CAADLO O=C1CN(C[C@H](O)C[NH+]2CCOCC2)C[C@@H]2CCCN12 ZINC001251018301 780570022 /nfs/dbraw/zinc/57/00/22/780570022.db2.gz FUVRROROWOECHF-QWHCGFSZSA-N 1 2 283.372 -1.014 20 0 CAADLO O=C1C[N@H+](C[C@H](O)CN2CCOCC2)C[C@@H]2CCCN12 ZINC001251018301 780570028 /nfs/dbraw/zinc/57/00/28/780570028.db2.gz FUVRROROWOECHF-QWHCGFSZSA-N 1 2 283.372 -1.014 20 0 CAADLO O=C1C[N@@H+](C[C@H](O)CN2CCOCC2)C[C@@H]2CCCN12 ZINC001251018301 780570034 /nfs/dbraw/zinc/57/00/34/780570034.db2.gz FUVRROROWOECHF-QWHCGFSZSA-N 1 2 283.372 -1.014 20 0 CAADLO NC(=O)[C@@H]1C[C@H](F)CN1C[C@H](O)C[NH+]1CCOCC1 ZINC001251018477 780570404 /nfs/dbraw/zinc/57/04/04/780570404.db2.gz JAVGVUQXIWCPQB-AXFHLTTASA-N 1 2 275.324 -1.423 20 0 CAADLO O=C1COC[C@@H]2CN(C[C@H](O)C[NH+]3CCOCC3)CCN12 ZINC001251021549 780570448 /nfs/dbraw/zinc/57/04/48/780570448.db2.gz ODIYMOLKBPOMIZ-QWHCGFSZSA-N 1 2 299.371 -1.778 20 0 CAADLO C[C@H]1CN(C[C@H](O)C[NH+]2CCOCC2)CC(=O)N1 ZINC001251011480 780570621 /nfs/dbraw/zinc/57/06/21/780570621.db2.gz LBYMVKGPINWEIH-WDEREUQCSA-N 1 2 257.334 -1.500 20 0 CAADLO N#CN1CCN(C[C@H](O)C[NH+]2CCOCC2)CC1 ZINC001251021923 780570635 /nfs/dbraw/zinc/57/06/35/780570635.db2.gz BWUXVMDRVFZZPT-LBPRGKRZSA-N 1 2 254.334 -1.222 20 0 CAADLO NC(=O)[C@@H]1C[N@H+](C[C@H](O)CN2CCOCC2)CCO1 ZINC001251019072 780570761 /nfs/dbraw/zinc/57/07/61/780570761.db2.gz QJDGXVWOJXFNLD-MNOVXSKESA-N 1 2 273.333 -2.134 20 0 CAADLO NC(=O)[C@@H]1C[N@@H+](C[C@H](O)CN2CCOCC2)CCO1 ZINC001251019072 780570766 /nfs/dbraw/zinc/57/07/66/780570766.db2.gz QJDGXVWOJXFNLD-MNOVXSKESA-N 1 2 273.333 -2.134 20 0 CAADLO NC(=O)[C@@H]1CN(C[C@H](O)C[NH+]2CCOCC2)CCO1 ZINC001251019072 780570772 /nfs/dbraw/zinc/57/07/72/780570772.db2.gz QJDGXVWOJXFNLD-MNOVXSKESA-N 1 2 273.333 -2.134 20 0 CAADLO NC(=O)c1nc(CNC[C@@H](O)C[NH+]2CCOCC2)no1 ZINC001251038596 780571685 /nfs/dbraw/zinc/57/16/85/780571685.db2.gz YXWFQESMVOUPJT-MRVPVSSYSA-N 1 2 285.304 -2.049 20 0 CAADLO Cc1ncc(NC[C@H](O)C[NH+]2CCOCC2)c(=O)[nH]1 ZINC001251045241 780572654 /nfs/dbraw/zinc/57/26/54/780572654.db2.gz FZCYIGXFJJXKHP-QWRGUYRKSA-N 1 2 268.317 -1.333 20 0 CAADLO COC(=O)[C@H](Cc1c[nH+]cn1C)NC[C@H](O)CO ZINC001252073271 780582061 /nfs/dbraw/zinc/58/20/61/780582061.db2.gz DRAAMZNAVHCWAF-UWVGGRQHSA-N 1 2 257.290 -1.553 20 0 CAADLO CC(=O)N1CCOC[C@]2(C[N@H+](C[C@H](O)CO)CCO2)C1 ZINC001252059467 780582546 /nfs/dbraw/zinc/58/25/46/780582546.db2.gz XLGACQCTMOTKBL-STQMWFEESA-N 1 2 288.344 -1.711 20 0 CAADLO CC(=O)N1CCOC[C@]2(C[N@@H+](C[C@H](O)CO)CCO2)C1 ZINC001252059467 780582548 /nfs/dbraw/zinc/58/25/48/780582548.db2.gz XLGACQCTMOTKBL-STQMWFEESA-N 1 2 288.344 -1.711 20 0 CAADLO COC(=O)[C@H]1C[N@H+](C[C@H](O)CO)CCN1C(C)=O ZINC001252062166 780582977 /nfs/dbraw/zinc/58/29/77/780582977.db2.gz INVAASANBOACSI-VHSXEESVSA-N 1 2 260.290 -1.955 20 0 CAADLO COC(=O)[C@H]1C[N@@H+](C[C@H](O)CO)CCN1C(C)=O ZINC001252062166 780582983 /nfs/dbraw/zinc/58/29/83/780582983.db2.gz INVAASANBOACSI-VHSXEESVSA-N 1 2 260.290 -1.955 20 0 CAADLO COC(=O)[C@H](O)C[NH+]1CCN([C@H]2CCOC2)CC1 ZINC001252408283 780584605 /nfs/dbraw/zinc/58/46/05/780584605.db2.gz ZTZKIZFPZMZINV-WDEREUQCSA-N 1 2 258.318 -1.073 20 0 CAADLO COC(=O)CN1CC[NH+](C[C@@H](O)C(=O)OC)CC1 ZINC001252421478 780585139 /nfs/dbraw/zinc/58/51/39/780585139.db2.gz IYHUODIKAQVQOM-SECBINFHSA-N 1 2 260.290 -1.689 20 0 CAADLO COC(=O)[C@@H](O)C[N@@H+]1CCN2C(=O)COC[C@H]2C1 ZINC001252427321 780585534 /nfs/dbraw/zinc/58/55/34/780585534.db2.gz HOZFPCXOXXUAJC-BDAKNGLRSA-N 1 2 258.274 -1.937 20 0 CAADLO COC(=O)[C@@H](O)C[N@H+]1CCN2C(=O)COC[C@H]2C1 ZINC001252427321 780585539 /nfs/dbraw/zinc/58/55/39/780585539.db2.gz HOZFPCXOXXUAJC-BDAKNGLRSA-N 1 2 258.274 -1.937 20 0 CAADLO COC(=O)[C@@H](O)C[NH+]1CCN(c2ncc(O)cn2)CC1 ZINC001252424649 780585860 /nfs/dbraw/zinc/58/58/60/780585860.db2.gz VSVRZYKEHVQFTD-JTQLQIEISA-N 1 2 282.300 -1.162 20 0 CAADLO COC(=O)[C@H](O)C[NH+]1CCN(c2ncncn2)CC1 ZINC001252423034 780585936 /nfs/dbraw/zinc/58/59/36/780585936.db2.gz MPROCHDNUBQWQQ-SECBINFHSA-N 1 2 267.289 -1.473 20 0 CAADLO COC(=O)[C@H](O)C[N@@H+]1CCN2C(=O)COC[C@H]2C1 ZINC001252427327 780586274 /nfs/dbraw/zinc/58/62/74/780586274.db2.gz HOZFPCXOXXUAJC-RKDXNWHRSA-N 1 2 258.274 -1.937 20 0 CAADLO COC(=O)[C@H](O)C[N@H+]1CCN2C(=O)COC[C@H]2C1 ZINC001252427327 780586278 /nfs/dbraw/zinc/58/62/78/780586278.db2.gz HOZFPCXOXXUAJC-RKDXNWHRSA-N 1 2 258.274 -1.937 20 0 CAADLO COC(=O)[C@@H](O)C[NH2+]CCNC(=O)C(F)(F)F ZINC001252436736 780586404 /nfs/dbraw/zinc/58/64/04/780586404.db2.gz JWJQBHJLJODQIA-YFKPBYRVSA-N 1 2 258.196 -1.212 20 0 CAADLO COC(=O)[C@@H](O)C[N@@H+]1CCN(C)[C@@H](C(=O)OC)C1 ZINC001252427869 780586443 /nfs/dbraw/zinc/58/64/43/780586443.db2.gz LLKUQGIITKTHPS-BDAKNGLRSA-N 1 2 260.290 -1.691 20 0 CAADLO COC(=O)[C@@H](O)C[N@H+]1CCN(C)[C@@H](C(=O)OC)C1 ZINC001252427869 780586451 /nfs/dbraw/zinc/58/64/51/780586451.db2.gz LLKUQGIITKTHPS-BDAKNGLRSA-N 1 2 260.290 -1.691 20 0 CAADLO COC(=O)[C@H](O)CN[C@@H](Cc1c[nH]c[nH+]1)C(=O)OC ZINC001252436637 780586543 /nfs/dbraw/zinc/58/65/43/780586543.db2.gz ZZSBLHWIUACRFB-DTWKUNHWSA-N 1 2 271.273 -1.383 20 0 CAADLO COC(=O)[C@H](O)CN[C@@H](Cc1c[nH+]c[nH]1)C(=O)OC ZINC001252436637 780586548 /nfs/dbraw/zinc/58/65/48/780586548.db2.gz ZZSBLHWIUACRFB-DTWKUNHWSA-N 1 2 271.273 -1.383 20 0 CAADLO COC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC[C@H](O)C(=O)OC ZINC001252454298 780587177 /nfs/dbraw/zinc/58/71/77/780587177.db2.gz ZZSBLHWIUACRFB-BDAKNGLRSA-N 1 2 271.273 -1.383 20 0 CAADLO COC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC[C@H](O)C(=O)OC ZINC001252454298 780587184 /nfs/dbraw/zinc/58/71/84/780587184.db2.gz ZZSBLHWIUACRFB-BDAKNGLRSA-N 1 2 271.273 -1.383 20 0 CAADLO COc1ccc(OC[C@H](O)C[NH2+]C(C(N)=O)C(N)=O)cc1 ZINC001252729549 780589737 /nfs/dbraw/zinc/58/97/37/780589737.db2.gz CUWWDMCPZIXRSX-MRVPVSSYSA-N 1 2 297.311 -1.636 20 0 CAADLO COc1cccc(OC[C@@H](O)C[NH2+]C(C(N)=O)C(N)=O)c1 ZINC001253971390 780597417 /nfs/dbraw/zinc/59/74/17/780597417.db2.gz GFXNQRRFWNKXHJ-QMMMGPOBSA-N 1 2 297.311 -1.636 20 0 CAADLO C[NH+](C)Cc1cn(C[C@H]2O[C@@H](O)[C@H](O)[C@@H](O)[C@H]2O)nn1 ZINC001254110836 780598509 /nfs/dbraw/zinc/59/85/09/780598509.db2.gz HWSGXGQSBSJGTD-ZKKRXERASA-N 1 2 288.304 -2.860 20 0 CAADLO C[NH+](C)Cc1cn(C[C@H]2O[C@H](O)[C@H](O)[C@@H](O)[C@H]2O)nn1 ZINC001254110831 780598963 /nfs/dbraw/zinc/59/89/63/780598963.db2.gz HWSGXGQSBSJGTD-KJPMQGKISA-N 1 2 288.304 -2.860 20 0 CAADLO C[NH+](C)Cc1cn([C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)nn1 ZINC001254112481 780599086 /nfs/dbraw/zinc/59/90/86/780599086.db2.gz QEEROUHAWIBTPN-ZKKRXERASA-N 1 2 288.304 -2.688 20 0 CAADLO C[NH+](C)Cc1cn([C@H]2[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)nn1 ZINC001254114056 780599824 /nfs/dbraw/zinc/59/98/24/780599824.db2.gz LBACVRGNVNFAFR-ISUQUUIWSA-N 1 2 288.304 -2.688 20 0 CAADLO [NH3+][C@@H]1NCN([C@@H]2CCS(=O)(=O)C2)[C@H]2NCN[C@@H]21 ZINC001254327562 780603474 /nfs/dbraw/zinc/60/34/74/780603474.db2.gz WCMUPPBEAWLRQE-FNCVBFRFSA-N 1 2 261.351 -2.834 20 0 CAADLO [NH3+][C@@H]1NCN([C@@H]2CCS(=O)(=O)C2)[C@@H]2NCN[C@H]21 ZINC001254327563 780603708 /nfs/dbraw/zinc/60/37/08/780603708.db2.gz WCMUPPBEAWLRQE-XAVMHZPKSA-N 1 2 261.351 -2.834 20 0 CAADLO Cc1noc([C@@H](C)[NH2+]C[C@@H](O)CN(C)C(=O)C(N)=O)n1 ZINC001278798206 780606533 /nfs/dbraw/zinc/60/65/33/780606533.db2.gz NPVMQRMJFPHKIP-HTRCEHHLSA-N 1 2 285.304 -1.667 20 0 CAADLO Cc1nc(C[N@@H+]2CC[C@](O)(CNC(=O)C(N)=O)C2)oc1C ZINC001278801623 780607526 /nfs/dbraw/zinc/60/75/26/780607526.db2.gz YTRRGTDOLODJFC-ZDUSSCGKSA-N 1 2 296.327 -1.170 20 0 CAADLO Cc1nc(C[N@H+]2CC[C@](O)(CNC(=O)C(N)=O)C2)oc1C ZINC001278801623 780607530 /nfs/dbraw/zinc/60/75/30/780607530.db2.gz YTRRGTDOLODJFC-ZDUSSCGKSA-N 1 2 296.327 -1.170 20 0 CAADLO Cc1noc([C@@H](C)[N@@H+]2CC[C@](O)(CNC(=O)C(N)=O)C2)n1 ZINC001278801574 780607748 /nfs/dbraw/zinc/60/77/48/780607748.db2.gz YHTZSGXDOPEGHC-KRTXAFLBSA-N 1 2 297.315 -1.523 20 0 CAADLO Cc1noc([C@@H](C)[N@H+]2CC[C@](O)(CNC(=O)C(N)=O)C2)n1 ZINC001278801574 780607752 /nfs/dbraw/zinc/60/77/52/780607752.db2.gz YHTZSGXDOPEGHC-KRTXAFLBSA-N 1 2 297.315 -1.523 20 0 CAADLO Cc1noc([C@@H](C)[N@@H+]2CC[C@@](O)(CNC(=O)C(N)=O)C2)n1 ZINC001278801570 780607799 /nfs/dbraw/zinc/60/77/99/780607799.db2.gz YHTZSGXDOPEGHC-JMCQJSRRSA-N 1 2 297.315 -1.523 20 0 CAADLO Cc1noc([C@@H](C)[N@H+]2CC[C@@](O)(CNC(=O)C(N)=O)C2)n1 ZINC001278801570 780607802 /nfs/dbraw/zinc/60/78/02/780607802.db2.gz YHTZSGXDOPEGHC-JMCQJSRRSA-N 1 2 297.315 -1.523 20 0 CAADLO Cc1nc(C[N@@H+]2CC[C@@](O)(CNC(=O)C(N)=O)C2)oc1C ZINC001278801622 780607887 /nfs/dbraw/zinc/60/78/87/780607887.db2.gz YTRRGTDOLODJFC-CYBMUJFWSA-N 1 2 296.327 -1.170 20 0 CAADLO Cc1nc(C[N@H+]2CC[C@@](O)(CNC(=O)C(N)=O)C2)oc1C ZINC001278801622 780607889 /nfs/dbraw/zinc/60/78/89/780607889.db2.gz YTRRGTDOLODJFC-CYBMUJFWSA-N 1 2 296.327 -1.170 20 0 CAADLO [NH3+][C@@H]1NCN([C@H]2C[C@@H]3CC(=O)C[C@@H]3C2)[C@@H]2NCN[C@H]21 ZINC001254940459 780610376 /nfs/dbraw/zinc/61/03/76/780610376.db2.gz MBDIVLWHNJTMQI-UGHOFQJSSA-N 1 2 265.361 -1.263 20 0 CAADLO CC[NH+]1CC(O)(CNC(=O)CCn2cncn2)C1 ZINC001278838117 780611534 /nfs/dbraw/zinc/61/15/34/780611534.db2.gz RDSQYLRTHXWNGL-UHFFFAOYSA-N 1 2 253.306 -1.149 20 0 CAADLO C[C@@H](O)C[NH+]1CC(O)(CNC(=O)Cn2cccn2)C1 ZINC001278837881 780611584 /nfs/dbraw/zinc/61/15/84/780611584.db2.gz MUXKPWCLJUPNLO-SNVBAGLBSA-N 1 2 268.317 -1.573 20 0 CAADLO O=C(NC(CO)CO)N[C@@H]1CCn2cc[nH+]c2C1 ZINC001255327238 780613821 /nfs/dbraw/zinc/61/38/21/780613821.db2.gz IVWBYUBOGDZSAJ-MRVPVSSYSA-N 1 2 254.290 -1.150 20 0 CAADLO O=C(NC(CO)CO)N[C@H]1CCn2cc[nH+]c2C1 ZINC001255327239 780614229 /nfs/dbraw/zinc/61/42/29/780614229.db2.gz IVWBYUBOGDZSAJ-QMMMGPOBSA-N 1 2 254.290 -1.150 20 0 CAADLO CCOCC[NH+]1CC(O)(CNC(=O)CNC(=O)NC)C1 ZINC001278872398 780616528 /nfs/dbraw/zinc/61/65/28/780616528.db2.gz HDHQESYIWJGYIM-UHFFFAOYSA-N 1 2 288.348 -1.885 20 0 CAADLO COC[C@H](O)C[NH+]1CC(O)(CNC(=O)C(N)=O)C1 ZINC001278903543 780620085 /nfs/dbraw/zinc/62/00/85/780620085.db2.gz NLPLXJJXMAYOLE-SSDOTTSWSA-N 1 2 261.278 -3.358 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(O)(CNC(=O)C(N)=O)C1 ZINC001278903544 780620470 /nfs/dbraw/zinc/62/04/70/780620470.db2.gz NLPLXJJXMAYOLE-ZETCQYMHSA-N 1 2 261.278 -3.358 20 0 CAADLO C[C@@H](O)C[NH+]1CC(O)(CNC(=O)Cc2ncc[nH]2)C1 ZINC001278919565 780620950 /nfs/dbraw/zinc/62/09/50/780620950.db2.gz UPRYUUFAPCOHML-SECBINFHSA-N 1 2 268.317 -1.504 20 0 CAADLO C[C@H](O)C[NH+]1CC(O)(CNC(=O)C(=O)NCC2CC2)C1 ZINC001278918367 780621754 /nfs/dbraw/zinc/62/17/54/780621754.db2.gz CMQWZNGOGQFCCO-VIFPVBQESA-N 1 2 285.344 -1.944 20 0 CAADLO O=C(NCCn1cc[nH+]c1)C(=O)N1CC[C@](F)(CO)C1 ZINC001256874230 780627002 /nfs/dbraw/zinc/62/70/02/780627002.db2.gz NVSRGASWENQUPD-GFCCVEGCSA-N 1 2 284.291 -1.068 20 0 CAADLO C[C@H](Cn1cncn1)NC(=O)C(=O)NCCn1cc[nH+]c1 ZINC001256874397 780627211 /nfs/dbraw/zinc/62/72/11/780627211.db2.gz PWSZKVUSPJTDDP-SNVBAGLBSA-N 1 2 291.315 -1.204 20 0 CAADLO NS(=O)(=O)N1CCCn2nnc(Cn3cc[nH+]c3)c2C1 ZINC001260076879 780646591 /nfs/dbraw/zinc/64/65/91/780646591.db2.gz BFONAXCIZSNZGL-UHFFFAOYSA-N 1 2 297.344 -1.068 20 0 CAADLO C[NH+]1CCN(CCNS(=O)(=O)CS(C)(=O)=O)CC1 ZINC001260593235 780652985 /nfs/dbraw/zinc/65/29/85/780652985.db2.gz COTZLWQPDJVWPD-UHFFFAOYSA-N 1 2 299.418 -1.845 20 0 CAADLO C[NH2+]CCCNC(=O)Cn1[nH]cc2c(=O)ncnc1-2 ZINC001261460083 780665029 /nfs/dbraw/zinc/66/50/29/780665029.db2.gz OIZHPFOQKJWXGE-UHFFFAOYSA-N 1 2 264.289 -1.203 20 0 CAADLO COC(=O)CNC(=O)C[NH+]1CCC(O)(CO)CC1 ZINC001261641652 780675936 /nfs/dbraw/zinc/67/59/36/780675936.db2.gz KKKOWZHBNOKEKU-UHFFFAOYSA-N 1 2 260.290 -1.905 20 0 CAADLO CN(CCC[NH3+])C(=O)Cn1[nH]cc2c(=O)ncnc1-2 ZINC001261643473 780676336 /nfs/dbraw/zinc/67/63/36/780676336.db2.gz VAAHGXWCKGEMHD-UHFFFAOYSA-N 1 2 264.289 -1.122 20 0 CAADLO CNC(=O)[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CCO1 ZINC001261737114 780680483 /nfs/dbraw/zinc/68/04/83/780680483.db2.gz DPEYFDPDVKTDMU-QMMMGPOBSA-N 1 2 252.274 -1.074 20 0 CAADLO Cn1nnnc1CNC(=O)/C=C\C[NH+]1CCOCC1 ZINC001261860169 780691140 /nfs/dbraw/zinc/69/11/40/780691140.db2.gz PQCYGHTXTHOWNR-IHWYPQMZSA-N 1 2 266.305 -1.285 20 0 CAADLO O=C(N[C@@H]1Cc2c[nH+]cn2C1)C1CS(=O)(=O)C1 ZINC001261877597 780691357 /nfs/dbraw/zinc/69/13/57/780691357.db2.gz MCPPLQBJYHJEOO-MRVPVSSYSA-N 1 2 255.299 -1.031 20 0 CAADLO CC[NH+]1CCN(C(=O)C(=O)N2CCCNC(=O)C2)CC1 ZINC001261903045 780693484 /nfs/dbraw/zinc/69/34/84/780693484.db2.gz KQOHWLMLWVQXPH-UHFFFAOYSA-N 1 2 282.344 -1.501 20 0 CAADLO C[C@@H](C(=O)NC[C@]1(O)CCS(=O)(=O)C1)[NH+](C)C ZINC001262016235 780696137 /nfs/dbraw/zinc/69/61/37/780696137.db2.gz OLNDKTHENGTPHP-WCBMZHEXSA-N 1 2 264.347 -1.398 20 0 CAADLO NC(=O)NCc1cn(CC[NH+]2CCOCC2)nn1 ZINC001262026519 780696952 /nfs/dbraw/zinc/69/69/52/780696952.db2.gz WHNVVGLUWBVCSW-UHFFFAOYSA-N 1 2 254.294 -1.221 20 0 CAADLO Cn1c[nH+]cc1CNC(=O)CCNS(C)(=O)=O ZINC001262023079 780697145 /nfs/dbraw/zinc/69/71/45/780697145.db2.gz KEHXOBUAWSOXFJ-UHFFFAOYSA-N 1 2 260.319 -1.024 20 0 CAADLO O=C1CC[C@@H](C[N@@H+]2CCC(=O)NCC23COC3)N1 ZINC001262021482 780697416 /nfs/dbraw/zinc/69/74/16/780697416.db2.gz IPSVCBJQZNIQQQ-VIFPVBQESA-N 1 2 253.302 -1.144 20 0 CAADLO O=C1CC[C@@H](C[N@H+]2CCC(=O)NCC23COC3)N1 ZINC001262021482 780697422 /nfs/dbraw/zinc/69/74/22/780697422.db2.gz IPSVCBJQZNIQQQ-VIFPVBQESA-N 1 2 253.302 -1.144 20 0 CAADLO CC1(C)CNC(=O)[C@H]1NC(=O)CN1CC[NH2+]CC1=O ZINC001262046870 780698461 /nfs/dbraw/zinc/69/84/61/780698461.db2.gz AGXXFQMYGWRJTL-SNVBAGLBSA-N 1 2 268.317 -1.941 20 0 CAADLO C[C@@H](O)[C@H](O)C[N@@H+]1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC001262239637 780706016 /nfs/dbraw/zinc/70/60/16/780706016.db2.gz FSHASBDGSFTFAD-IVZWLZJFSA-N 1 2 266.363 -1.306 20 0 CAADLO O=C(CO)NCCC(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC001262181162 780701892 /nfs/dbraw/zinc/70/18/92/780701892.db2.gz DNQWTRUWGSHVJK-VIFPVBQESA-N 1 2 266.301 -1.187 20 0 CAADLO C[C@@H](O)[C@H](O)C[N@H+]1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC001262239637 780706020 /nfs/dbraw/zinc/70/60/20/780706020.db2.gz FSHASBDGSFTFAD-IVZWLZJFSA-N 1 2 266.363 -1.306 20 0 CAADLO Cn1c[nH+]cc1CCNC(=O)CCNC(=O)CO ZINC001262171587 780702106 /nfs/dbraw/zinc/70/21/06/780702106.db2.gz ZZIFATUHZUCSPR-UHFFFAOYSA-N 1 2 254.290 -1.423 20 0 CAADLO Cn1c[nH+]cc1[C@@H](CO)NC(=O)[C@@H]1OCCN(C)C1=O ZINC001262185001 780703237 /nfs/dbraw/zinc/70/32/37/780703237.db2.gz YWYMQNHVTSMJNP-SCZZXKLOSA-N 1 2 282.300 -1.573 20 0 CAADLO C[N@@H+]1CCN(C(=O)CCc2nnc[nH]2)C[C@H]1CO ZINC001262186062 780703521 /nfs/dbraw/zinc/70/35/21/780703521.db2.gz MMFJNVOABLHRFJ-VIFPVBQESA-N 1 2 253.306 -1.128 20 0 CAADLO C[N@H+]1CCN(C(=O)CCc2nnc[nH]2)C[C@H]1CO ZINC001262186062 780703524 /nfs/dbraw/zinc/70/35/24/780703524.db2.gz MMFJNVOABLHRFJ-VIFPVBQESA-N 1 2 253.306 -1.128 20 0 CAADLO CC[C@H](C[NH+]1CCOCC1)NC(=O)CN1C(=O)CNC1=O ZINC001262209406 780704391 /nfs/dbraw/zinc/70/43/91/780704391.db2.gz JUJKHQMXFPEJTG-SNVBAGLBSA-N 1 2 298.343 -1.235 20 0 CAADLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)CN1C(=O)CNC1=O ZINC001262209405 780704648 /nfs/dbraw/zinc/70/46/48/780704648.db2.gz JUJKHQMXFPEJTG-JTQLQIEISA-N 1 2 298.343 -1.235 20 0 CAADLO NS(=O)(=O)CCC[N@@H+]1CCOC[C@@H]1CCO ZINC001262241597 780704919 /nfs/dbraw/zinc/70/49/19/780704919.db2.gz DFKOBEYCAHZOBG-VIFPVBQESA-N 1 2 252.336 -1.252 20 0 CAADLO NS(=O)(=O)CCC[N@H+]1CCOC[C@@H]1CCO ZINC001262241597 780704922 /nfs/dbraw/zinc/70/49/22/780704922.db2.gz DFKOBEYCAHZOBG-VIFPVBQESA-N 1 2 252.336 -1.252 20 0 CAADLO C[C@@H](O)[C@@H](O)C[N@@H+]1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC001262239635 780705400 /nfs/dbraw/zinc/70/54/00/780705400.db2.gz FSHASBDGSFTFAD-AEJSXWLSSA-N 1 2 266.363 -1.306 20 0 CAADLO C[C@@H](O)[C@@H](O)C[N@H+]1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC001262239635 780705408 /nfs/dbraw/zinc/70/54/08/780705408.db2.gz FSHASBDGSFTFAD-AEJSXWLSSA-N 1 2 266.363 -1.306 20 0 CAADLO O=C(C[N@H+]1C[C@H](O)C[C@H]1CO)Nc1cccnn1 ZINC001262261558 780707049 /nfs/dbraw/zinc/70/70/49/780707049.db2.gz QRPFXMDXIJCNSX-DTWKUNHWSA-N 1 2 252.274 -1.157 20 0 CAADLO O=C(C[N@@H+]1C[C@H](O)C[C@H]1CO)Nc1cccnn1 ZINC001262261558 780707056 /nfs/dbraw/zinc/70/70/56/780707056.db2.gz QRPFXMDXIJCNSX-DTWKUNHWSA-N 1 2 252.274 -1.157 20 0 CAADLO COCC[NH+]1CCN(C(=O)C(=O)N2CC=C[C@H]2CO)CC1 ZINC001262531549 780712990 /nfs/dbraw/zinc/71/29/90/780712990.db2.gz CYEGKLGCPYQGRS-LBPRGKRZSA-N 1 2 297.355 -1.464 20 0 CAADLO O=C(N[C@H]1CNOC1)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC001262544020 780714269 /nfs/dbraw/zinc/71/42/69/780714269.db2.gz QTGDPNJQMORXQM-IUCAKERBSA-N 1 2 279.300 -1.666 20 0 CAADLO CCOC(=O)[C@H](N)C(=O)N[C@H](C)[C@H]1CN(C)CC[N@@H+]1C ZINC001263306510 780726329 /nfs/dbraw/zinc/72/63/29/780726329.db2.gz ZUACFYGPYYWKCB-GMTAPVOTSA-N 1 2 286.376 -1.373 20 0 CAADLO CCOC(=O)[C@H](N)C(=O)N[C@H](C)[C@H]1CN(C)CC[N@H+]1C ZINC001263306510 780726333 /nfs/dbraw/zinc/72/63/33/780726333.db2.gz ZUACFYGPYYWKCB-GMTAPVOTSA-N 1 2 286.376 -1.373 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CC[C@H]1CN(C)C(=O)C1(C(N)=O)CC1 ZINC001263809933 780730169 /nfs/dbraw/zinc/73/01/69/780730169.db2.gz QSMWYPBEIXAFJG-IUCAKERBSA-N 1 2 282.344 -1.342 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CC[C@H]1CN(C)C(=O)C1(C(N)=O)CC1 ZINC001263809933 780730175 /nfs/dbraw/zinc/73/01/75/780730175.db2.gz QSMWYPBEIXAFJG-IUCAKERBSA-N 1 2 282.344 -1.342 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CC[C@H]1CN(C)C(=O)C1(C(N)=O)CC1 ZINC001263809931 780730244 /nfs/dbraw/zinc/73/02/44/780730244.db2.gz QSMWYPBEIXAFJG-BDAKNGLRSA-N 1 2 282.344 -1.342 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CC[C@H]1CN(C)C(=O)C1(C(N)=O)CC1 ZINC001263809931 780730248 /nfs/dbraw/zinc/73/02/48/780730248.db2.gz QSMWYPBEIXAFJG-BDAKNGLRSA-N 1 2 282.344 -1.342 20 0 CAADLO CN(C[C@@H]1CC[N@@H+]1[C@H]1CCCN(C)C1=O)C(=O)C(N)=O ZINC001263809924 780730636 /nfs/dbraw/zinc/73/06/36/780730636.db2.gz QNSSULGUBLEPEP-UWVGGRQHSA-N 1 2 282.344 -1.375 20 0 CAADLO CN(C[C@@H]1CC[N@H+]1[C@H]1CCCN(C)C1=O)C(=O)C(N)=O ZINC001263809924 780730638 /nfs/dbraw/zinc/73/06/38/780730638.db2.gz QNSSULGUBLEPEP-UWVGGRQHSA-N 1 2 282.344 -1.375 20 0 CAADLO O=C(Cn1ncnn1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC001263854956 780732052 /nfs/dbraw/zinc/73/20/52/780732052.db2.gz VLOKPTIUUFJUJK-JTQLQIEISA-N 1 2 266.305 -1.394 20 0 CAADLO CNC(=O)NCC(=O)NCCC[N@H+](C)Cc1cn(C)nn1 ZINC001264993478 780740266 /nfs/dbraw/zinc/74/02/66/780740266.db2.gz NNRZPIZSRRUZHN-UHFFFAOYSA-N 1 2 297.363 -1.318 20 0 CAADLO CNC(=O)NCC(=O)NCCC[N@@H+](C)Cc1cn(C)nn1 ZINC001264993478 780740270 /nfs/dbraw/zinc/74/02/70/780740270.db2.gz NNRZPIZSRRUZHN-UHFFFAOYSA-N 1 2 297.363 -1.318 20 0 CAADLO Cn1ncc(C[N@H+](C)CCCNC(=O)CC(N)=O)n1 ZINC001264973023 780740762 /nfs/dbraw/zinc/74/07/62/780740762.db2.gz GWQSKTCGTQEOND-UHFFFAOYSA-N 1 2 268.321 -1.371 20 0 CAADLO Cn1ncc(C[N@@H+](C)CCCNC(=O)CC(N)=O)n1 ZINC001264973023 780740766 /nfs/dbraw/zinc/74/07/66/780740766.db2.gz GWQSKTCGTQEOND-UHFFFAOYSA-N 1 2 268.321 -1.371 20 0 CAADLO Cc1nonc1C[N@H+](C)CCCNC(=O)[C@H]1CNC(=O)N1 ZINC001265029021 780741750 /nfs/dbraw/zinc/74/17/50/780741750.db2.gz PZHORXGBHIKHOC-SECBINFHSA-N 1 2 296.331 -1.002 20 0 CAADLO Cc1nonc1C[N@@H+](C)CCCNC(=O)[C@H]1CNC(=O)N1 ZINC001265029021 780741752 /nfs/dbraw/zinc/74/17/52/780741752.db2.gz PZHORXGBHIKHOC-SECBINFHSA-N 1 2 296.331 -1.002 20 0 CAADLO Cn1cc(C[N@H+](C)CCCNC(=O)[C@H]2C[C@H]2C(N)=O)nn1 ZINC001265036583 780742190 /nfs/dbraw/zinc/74/21/90/780742190.db2.gz HFTPFHUNPIXXDA-MNOVXSKESA-N 1 2 294.359 -1.125 20 0 CAADLO Cn1cc(C[N@@H+](C)CCCNC(=O)[C@H]2C[C@H]2C(N)=O)nn1 ZINC001265036583 780742199 /nfs/dbraw/zinc/74/21/99/780742199.db2.gz HFTPFHUNPIXXDA-MNOVXSKESA-N 1 2 294.359 -1.125 20 0 CAADLO CCNC(=O)C[N@H+](C)CCCNC(=O)Cc1nnc[nH]1 ZINC001265057577 780742306 /nfs/dbraw/zinc/74/23/06/780742306.db2.gz PWVLNSIGRQNOQD-UHFFFAOYSA-N 1 2 282.348 -1.079 20 0 CAADLO CCNC(=O)C[N@@H+](C)CCCNC(=O)Cc1nnc[nH]1 ZINC001265057577 780742311 /nfs/dbraw/zinc/74/23/11/780742311.db2.gz PWVLNSIGRQNOQD-UHFFFAOYSA-N 1 2 282.348 -1.079 20 0 CAADLO CC[N@H+](CCCNC(=O)[C@H](C)S(C)(=O)=O)CC(N)=O ZINC001265119969 780743462 /nfs/dbraw/zinc/74/34/62/780743462.db2.gz WJJWTWDWQCHVKD-VIFPVBQESA-N 1 2 293.389 -1.267 20 0 CAADLO CC[N@@H+](CCCNC(=O)[C@H](C)S(C)(=O)=O)CC(N)=O ZINC001265119969 780743469 /nfs/dbraw/zinc/74/34/69/780743469.db2.gz WJJWTWDWQCHVKD-VIFPVBQESA-N 1 2 293.389 -1.267 20 0 CAADLO CCNC(=O)CC(=O)N[C@H]1CCC[N@H+](CC(=O)NC)C1 ZINC001265211274 780743666 /nfs/dbraw/zinc/74/36/66/780743666.db2.gz TWKSQIGOAVCVBV-JTQLQIEISA-N 1 2 284.360 -1.161 20 0 CAADLO CCNC(=O)CC(=O)N[C@H]1CCC[N@@H+](CC(=O)NC)C1 ZINC001265211274 780743674 /nfs/dbraw/zinc/74/36/74/780743674.db2.gz TWKSQIGOAVCVBV-JTQLQIEISA-N 1 2 284.360 -1.161 20 0 CAADLO CCNC(=O)CC(=O)N[C@@H]1CCC[N@H+](CC(=O)NC)C1 ZINC001265211275 780743740 /nfs/dbraw/zinc/74/37/40/780743740.db2.gz TWKSQIGOAVCVBV-SNVBAGLBSA-N 1 2 284.360 -1.161 20 0 CAADLO CCNC(=O)CC(=O)N[C@@H]1CCC[N@@H+](CC(=O)NC)C1 ZINC001265211275 780743748 /nfs/dbraw/zinc/74/37/48/780743748.db2.gz TWKSQIGOAVCVBV-SNVBAGLBSA-N 1 2 284.360 -1.161 20 0 CAADLO CC[C@@H](C(N)=O)[NH+]1CCN(CCCNC(=O)C(N)=O)CC1 ZINC001265249967 780743770 /nfs/dbraw/zinc/74/37/70/780743770.db2.gz URNMWZDFIBATLT-JTQLQIEISA-N 1 2 299.375 -2.141 20 0 CAADLO CC[N@H+](CCCNC(=O)CC(N)=O)[C@@H](C)c1nnnn1C ZINC001265106979 780743933 /nfs/dbraw/zinc/74/39/33/780743933.db2.gz VLBKYWUTZRSMKC-VIFPVBQESA-N 1 2 297.363 -1.025 20 0 CAADLO CC[N@@H+](CCCNC(=O)CC(N)=O)[C@@H](C)c1nnnn1C ZINC001265106979 780743937 /nfs/dbraw/zinc/74/39/37/780743937.db2.gz VLBKYWUTZRSMKC-VIFPVBQESA-N 1 2 297.363 -1.025 20 0 CAADLO CCCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)CC(N)=O)C1 ZINC001265207274 780744023 /nfs/dbraw/zinc/74/40/23/780744023.db2.gz DGJXFUVVFAABIP-SNVBAGLBSA-N 1 2 284.360 -1.031 20 0 CAADLO CCCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)CC(N)=O)C1 ZINC001265207274 780744025 /nfs/dbraw/zinc/74/40/25/780744025.db2.gz DGJXFUVVFAABIP-SNVBAGLBSA-N 1 2 284.360 -1.031 20 0 CAADLO COCCOCC(=O)N[C@H]1CCC[N@H+](CC(N)=O)C1 ZINC001265207087 780744136 /nfs/dbraw/zinc/74/41/36/780744136.db2.gz AEYARMPRIHPJHI-JTQLQIEISA-N 1 2 273.333 -1.285 20 0 CAADLO COCCOCC(=O)N[C@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001265207087 780744140 /nfs/dbraw/zinc/74/41/40/780744140.db2.gz AEYARMPRIHPJHI-JTQLQIEISA-N 1 2 273.333 -1.285 20 0 CAADLO CN(C)C(=O)C[NH+]1CCN(CCNC(=O)CC(N)=O)CC1 ZINC001265258063 780744877 /nfs/dbraw/zinc/74/48/77/780744877.db2.gz XLALJGJHPKAWLN-UHFFFAOYSA-N 1 2 299.375 -2.316 20 0 CAADLO CNC(=O)[C@H](C)[NH+]1CCN(CCNC(=O)C(N)=O)CC1 ZINC001265262720 780744996 /nfs/dbraw/zinc/74/49/96/780744996.db2.gz HARZTBIMBOPJQS-VIFPVBQESA-N 1 2 285.348 -2.660 20 0 CAADLO NC(=O)C(=O)NCCN1CC[NH+](Cc2ccccn2)CC1 ZINC001265262636 780745160 /nfs/dbraw/zinc/74/51/60/780745160.db2.gz FXPKHVCWNJBOCC-UHFFFAOYSA-N 1 2 291.355 -1.199 20 0 CAADLO CC(=O)NCC[NH+]1CCN(Cc2nnn(C)n2)CC1 ZINC001265254291 780745170 /nfs/dbraw/zinc/74/51/70/780745170.db2.gz GFLAQUKJQOHOCT-UHFFFAOYSA-N 1 2 267.337 -1.536 20 0 CAADLO COCCCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)COC)C1 ZINC001265267987 780745425 /nfs/dbraw/zinc/74/54/25/780745425.db2.gz HCZGGENEJVNSRQ-LLVKDONJSA-N 1 2 287.360 -1.024 20 0 CAADLO COCCCNC(=O)C[N@H+]1CC[C@@H](NC(=O)COC)C1 ZINC001265267987 780745431 /nfs/dbraw/zinc/74/54/31/780745431.db2.gz HCZGGENEJVNSRQ-LLVKDONJSA-N 1 2 287.360 -1.024 20 0 CAADLO Cc1oncc1C[NH+]1CCN(CCNC(=O)C(N)=O)CC1 ZINC001265262963 780745531 /nfs/dbraw/zinc/74/55/31/780745531.db2.gz OBKHBQWSLFMEBJ-UHFFFAOYSA-N 1 2 295.343 -1.298 20 0 CAADLO O=C(CCc1cnn[nH]1)N[C@H]1CC[N@@H+](CCOCCO)C1 ZINC001265303989 780746224 /nfs/dbraw/zinc/74/62/24/780746224.db2.gz SXOYPPJDNRFCQH-LBPRGKRZSA-N 1 2 297.359 -1.063 20 0 CAADLO O=C(CCc1cnn[nH]1)N[C@H]1CC[N@H+](CCOCCO)C1 ZINC001265303989 780746228 /nfs/dbraw/zinc/74/62/28/780746228.db2.gz SXOYPPJDNRFCQH-LBPRGKRZSA-N 1 2 297.359 -1.063 20 0 CAADLO CN1CC(C(=O)N[C@@H]2CC[N@H+](CCOCCO)C2)=NC1=O ZINC001265301014 780746534 /nfs/dbraw/zinc/74/65/34/780746534.db2.gz BMXAQAHBNDQHRN-SNVBAGLBSA-N 1 2 298.343 -1.061 20 0 CAADLO CN1CC(C(=O)N[C@@H]2CC[N@@H+](CCOCCO)C2)=NC1=O ZINC001265301014 780746538 /nfs/dbraw/zinc/74/65/38/780746538.db2.gz BMXAQAHBNDQHRN-SNVBAGLBSA-N 1 2 298.343 -1.061 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)C(=O)NCC(F)F)C1 ZINC001265292470 780746671 /nfs/dbraw/zinc/74/66/71/780746671.db2.gz NJXMFAFJXKOMRT-NKWVEPMBSA-N 1 2 292.286 -1.568 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)C(=O)NCC(F)F)C1 ZINC001265292470 780746674 /nfs/dbraw/zinc/74/66/74/780746674.db2.gz NJXMFAFJXKOMRT-NKWVEPMBSA-N 1 2 292.286 -1.568 20 0 CAADLO CCN(CC)C(=O)C[N@@H+]1CC[C@@H](NC(=O)C(N)=O)C1 ZINC001265301425 780746832 /nfs/dbraw/zinc/74/68/32/780746832.db2.gz KLJDFRUUAQXOAF-SECBINFHSA-N 1 2 270.333 -1.469 20 0 CAADLO CCN(CC)C(=O)C[N@H+]1CC[C@@H](NC(=O)C(N)=O)C1 ZINC001265301425 780746836 /nfs/dbraw/zinc/74/68/36/780746836.db2.gz KLJDFRUUAQXOAF-SECBINFHSA-N 1 2 270.333 -1.469 20 0 CAADLO CCCNC(=O)C[N@@H+]1CC[C@H](NC(=O)C2(C(N)=O)CC2)C1 ZINC001265301211 780746954 /nfs/dbraw/zinc/74/69/54/780746954.db2.gz GCKHVRCFDOSHGK-JTQLQIEISA-N 1 2 296.371 -1.031 20 0 CAADLO CCCNC(=O)C[N@H+]1CC[C@H](NC(=O)C2(C(N)=O)CC2)C1 ZINC001265301211 780746958 /nfs/dbraw/zinc/74/69/58/780746958.db2.gz GCKHVRCFDOSHGK-JTQLQIEISA-N 1 2 296.371 -1.031 20 0 CAADLO CS(=O)(=O)NCC[N@@H+]1CC[C@@H](NC(=O)C(N)=O)C1 ZINC001265301783 780747218 /nfs/dbraw/zinc/74/72/18/780747218.db2.gz RJAMPLDDCKWQMI-SSDOTTSWSA-N 1 2 278.334 -2.789 20 0 CAADLO CS(=O)(=O)NCC[N@H+]1CC[C@@H](NC(=O)C(N)=O)C1 ZINC001265301783 780747223 /nfs/dbraw/zinc/74/72/23/780747223.db2.gz RJAMPLDDCKWQMI-SSDOTTSWSA-N 1 2 278.334 -2.789 20 0 CAADLO CC[C@]1(C(=O)N[C@@H]2CC[N@H+](CC(=O)NC)C2)CCNC1=O ZINC001265287564 780747512 /nfs/dbraw/zinc/74/75/12/780747512.db2.gz CITZUAYIMDZEGS-YGRLFVJLSA-N 1 2 296.371 -1.161 20 0 CAADLO CC[C@]1(C(=O)N[C@@H]2CC[N@@H+](CC(=O)NC)C2)CCNC1=O ZINC001265287564 780747520 /nfs/dbraw/zinc/74/75/20/780747520.db2.gz CITZUAYIMDZEGS-YGRLFVJLSA-N 1 2 296.371 -1.161 20 0 CAADLO C[C@H](CNC(=O)c1cn[nH]n1)[NH2+]Cc1nncn1C ZINC001265794443 780758006 /nfs/dbraw/zinc/75/80/06/780758006.db2.gz OEEFLWZECTZXLK-SSDOTTSWSA-N 1 2 264.293 -1.159 20 0 CAADLO C[C@H](CNC(=O)c1cnn[nH]1)[NH2+]Cc1nncn1C ZINC001265794443 780758010 /nfs/dbraw/zinc/75/80/10/780758010.db2.gz OEEFLWZECTZXLK-SSDOTTSWSA-N 1 2 264.293 -1.159 20 0 CAADLO C[C@@H](CNC(=O)c1cn[nH]n1)[NH2+]Cc1nncn1C ZINC001265794444 780758649 /nfs/dbraw/zinc/75/86/49/780758649.db2.gz OEEFLWZECTZXLK-ZETCQYMHSA-N 1 2 264.293 -1.159 20 0 CAADLO C[C@@H](CNC(=O)c1cnn[nH]1)[NH2+]Cc1nncn1C ZINC001265794444 780758652 /nfs/dbraw/zinc/75/86/52/780758652.db2.gz OEEFLWZECTZXLK-ZETCQYMHSA-N 1 2 264.293 -1.159 20 0 CAADLO C[C@@H](CNC(=O)C(N)=O)[NH2+]Cc1nnc2n1CCOC2 ZINC001265818659 780759579 /nfs/dbraw/zinc/75/95/79/780759579.db2.gz OWBWXPMJVMYMPD-ZETCQYMHSA-N 1 2 282.304 -2.112 20 0 CAADLO Cn1cc(C[N@H+](C)CCCNC(=O)[C@H]2COC(=O)N2)nn1 ZINC001265837730 780761349 /nfs/dbraw/zinc/76/13/49/780761349.db2.gz PURPFKKPNCEUPC-SNVBAGLBSA-N 1 2 296.331 -1.138 20 0 CAADLO Cn1cc(C[N@@H+](C)CCCNC(=O)[C@H]2COC(=O)N2)nn1 ZINC001265837730 780761354 /nfs/dbraw/zinc/76/13/54/780761354.db2.gz PURPFKKPNCEUPC-SNVBAGLBSA-N 1 2 296.331 -1.138 20 0 CAADLO C[C@H](CNC(=O)c1nnc[nH]1)[NH2+]Cc1cnn(C)n1 ZINC001265841444 780761437 /nfs/dbraw/zinc/76/14/37/780761437.db2.gz OLFMTJKAPWMFMJ-SSDOTTSWSA-N 1 2 264.293 -1.159 20 0 CAADLO C[C@@H](CNC(=O)c1nnc[nH]1)[NH2+]Cc1cnn(C)n1 ZINC001265841445 780761813 /nfs/dbraw/zinc/76/18/13/780761813.db2.gz OLFMTJKAPWMFMJ-ZETCQYMHSA-N 1 2 264.293 -1.159 20 0 CAADLO Cn1ncc(C[N@H+](C)CCCNC(=O)[C@@H]2CCNC2=O)n1 ZINC001265902456 780764821 /nfs/dbraw/zinc/76/48/21/780764821.db2.gz OHTUPPOIKYZSGS-NSHDSACASA-N 1 2 294.359 -1.111 20 0 CAADLO Cn1ncc(C[N@@H+](C)CCCNC(=O)[C@@H]2CCNC2=O)n1 ZINC001265902456 780764828 /nfs/dbraw/zinc/76/48/28/780764828.db2.gz OHTUPPOIKYZSGS-NSHDSACASA-N 1 2 294.359 -1.111 20 0 CAADLO CN(CC1CC1)C(=O)C[N@@H+]1CCC[C@H](NC(=O)C(N)=O)C1 ZINC001266236152 780771576 /nfs/dbraw/zinc/77/15/76/780771576.db2.gz DXOABIHDQIYNRS-NSHDSACASA-N 1 2 296.371 -1.079 20 0 CAADLO CN(CC1CC1)C(=O)C[N@H+]1CCC[C@H](NC(=O)C(N)=O)C1 ZINC001266236152 780771582 /nfs/dbraw/zinc/77/15/82/780771582.db2.gz DXOABIHDQIYNRS-NSHDSACASA-N 1 2 296.371 -1.079 20 0 CAADLO CN(CC1CC1)C(=O)C[N@@H+]1CCC[C@@H](NC(=O)C(N)=O)C1 ZINC001266236151 780771637 /nfs/dbraw/zinc/77/16/37/780771637.db2.gz DXOABIHDQIYNRS-LLVKDONJSA-N 1 2 296.371 -1.079 20 0 CAADLO CN(CC1CC1)C(=O)C[N@H+]1CCC[C@@H](NC(=O)C(N)=O)C1 ZINC001266236151 780771644 /nfs/dbraw/zinc/77/16/44/780771644.db2.gz DXOABIHDQIYNRS-LLVKDONJSA-N 1 2 296.371 -1.079 20 0 CAADLO CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)CC(N)=O)C1 ZINC001266211222 780771687 /nfs/dbraw/zinc/77/16/87/780771687.db2.gz BLCICOFWHBEQRY-VIFPVBQESA-N 1 2 270.333 -1.422 20 0 CAADLO CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)CC(N)=O)C1 ZINC001266211222 780771692 /nfs/dbraw/zinc/77/16/92/780771692.db2.gz BLCICOFWHBEQRY-VIFPVBQESA-N 1 2 270.333 -1.422 20 0 CAADLO COCC(=O)N[C@]1(CO)CCC[N@H+](CC(N)=O)C1 ZINC001279453782 780773081 /nfs/dbraw/zinc/77/30/81/780773081.db2.gz PBCKCPHDLWVCQG-LLVKDONJSA-N 1 2 259.306 -1.939 20 0 CAADLO COCC(=O)N[C@]1(CO)CCC[N@@H+](CC(N)=O)C1 ZINC001279453782 780773086 /nfs/dbraw/zinc/77/30/86/780773086.db2.gz PBCKCPHDLWVCQG-LLVKDONJSA-N 1 2 259.306 -1.939 20 0 CAADLO COCC(=O)N[C@@]1(CO)CCC[N@H+](CC(N)=O)C1 ZINC001279453783 780773245 /nfs/dbraw/zinc/77/32/45/780773245.db2.gz PBCKCPHDLWVCQG-NSHDSACASA-N 1 2 259.306 -1.939 20 0 CAADLO COCC(=O)N[C@@]1(CO)CCC[N@@H+](CC(N)=O)C1 ZINC001279453783 780773248 /nfs/dbraw/zinc/77/32/48/780773248.db2.gz PBCKCPHDLWVCQG-NSHDSACASA-N 1 2 259.306 -1.939 20 0 CAADLO Cc1oncc1C[N@@H+]1CCC[C@@](CO)(NC(=O)C(N)=O)C1 ZINC001279508446 780774189 /nfs/dbraw/zinc/77/41/89/780774189.db2.gz CSEVBZNFQXRIFV-CYBMUJFWSA-N 1 2 296.327 -1.089 20 0 CAADLO Cc1oncc1C[N@H+]1CCC[C@@](CO)(NC(=O)C(N)=O)C1 ZINC001279508446 780774196 /nfs/dbraw/zinc/77/41/96/780774196.db2.gz CSEVBZNFQXRIFV-CYBMUJFWSA-N 1 2 296.327 -1.089 20 0 CAADLO COCCC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CCNC1=O ZINC001280412528 780780789 /nfs/dbraw/zinc/78/07/89/780780789.db2.gz OYFJLSYARNNQGR-NWDGAFQWSA-N 1 2 299.371 -1.024 20 0 CAADLO COCCC[N@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CCNC1=O ZINC001280412528 780780812 /nfs/dbraw/zinc/78/08/12/780780812.db2.gz OYFJLSYARNNQGR-NWDGAFQWSA-N 1 2 299.371 -1.024 20 0 CAADLO C[C@@H](CNC(=O)CC(N)=O)N(C)C(=O)Cc1c[nH+]cn1C ZINC001280444164 780781429 /nfs/dbraw/zinc/78/14/29/780781429.db2.gz FWWNSCYXEPJYTI-VIFPVBQESA-N 1 2 295.343 -1.199 20 0 CAADLO C[C@@H](CNC(=O)C(N)=O)N(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001280537226 780782550 /nfs/dbraw/zinc/78/25/50/780782550.db2.gz MTOFQPUUAZRMFU-ZETCQYMHSA-N 1 2 267.289 -1.599 20 0 CAADLO NC(=O)C(=O)N1CC(CCO)(NC(=O)Cn2cc[nH+]c2)C1 ZINC001280561353 780784073 /nfs/dbraw/zinc/78/40/73/780784073.db2.gz ZXZOESWLNDATDJ-UHFFFAOYSA-N 1 2 295.299 -2.552 20 0 CAADLO NC(=O)C(=O)N1C[C@@H]2[C@@H](CNC(=O)Cn3cc[nH+]c3)[C@@H]2C1 ZINC001280704311 780786261 /nfs/dbraw/zinc/78/62/61/780786261.db2.gz YJXSVCCJCMUVMR-OWUUHHOZSA-N 1 2 291.311 -1.811 20 0 CAADLO NC(=O)C(=O)N[C@H]1C[C@H](CNC(=O)CCn2cc[nH+]c2)C1 ZINC001280772231 780787207 /nfs/dbraw/zinc/78/72/07/780787207.db2.gz FLEAKNZGYBUEFL-MGCOHNPYSA-N 1 2 293.327 -1.231 20 0 CAADLO NC(=O)CC(=O)NC[C@H]1C[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001280771878 780787737 /nfs/dbraw/zinc/78/77/37/780787737.db2.gz WSTQMSJXGNIRSJ-KYZUINATSA-N 1 2 293.327 -1.161 20 0 CAADLO C[C@@H](CCCNC(=O)Cc1c[nH]c[nH+]1)NC(=O)C(N)=O ZINC001280866975 780788388 /nfs/dbraw/zinc/78/83/88/780788388.db2.gz YGFROSKOCPINAO-QMMMGPOBSA-N 1 2 281.316 -1.161 20 0 CAADLO CCNC(=O)CC(=O)NC[C@@H]1CCC2(C[NH+](CCO)C2)O1 ZINC001280917424 780788664 /nfs/dbraw/zinc/78/86/64/780788664.db2.gz BFIZBHSNQAMFSA-NSHDSACASA-N 1 2 299.371 -1.146 20 0 CAADLO COCCC[NH+]1CC2(C1)CN(C(=O)CC(N)=O)CCO2 ZINC001280890999 780788890 /nfs/dbraw/zinc/78/88/90/780788890.db2.gz HGMVZSZXBQSYCG-UHFFFAOYSA-N 1 2 285.344 -1.189 20 0 CAADLO CCNC(=O)CC(=O)N[C@H]1COC2(C[NH+](C[C@@H](C)O)C2)C1 ZINC001280946431 780789633 /nfs/dbraw/zinc/78/96/33/780789633.db2.gz BPDUBFPXUSCMHP-GHMZBOCLSA-N 1 2 299.371 -1.147 20 0 CAADLO COC[C@@H](O)C[NH+]1CC2(C1)C[C@H](NC(=O)C(N)=O)CO2 ZINC001280968931 780789651 /nfs/dbraw/zinc/78/96/51/780789651.db2.gz MIBUHWJQVQIPFL-IUCAKERBSA-N 1 2 287.316 -2.562 20 0 CAADLO Cn1c[nH+]cc1CC(=O)NC[C@H](CO)NC(=O)C(N)=O ZINC001281097061 780794160 /nfs/dbraw/zinc/79/41/60/780794160.db2.gz DXYQJGCUZPKNAO-SSDOTTSWSA-N 1 2 283.288 -2.959 20 0 CAADLO C[C@H]1[C@@H](NC(=O)CCn2cc[nH+]c2)CCN1C(=O)C(N)=O ZINC001281149038 780797937 /nfs/dbraw/zinc/79/79/37/780797937.db2.gz MXSQWGSDXOHELI-UWVGGRQHSA-N 1 2 293.327 -1.136 20 0 CAADLO C[C@@H]1[C@@H](NC(=O)CCn2cc[nH+]c2)CCN1C(=O)C(N)=O ZINC001281149042 780798321 /nfs/dbraw/zinc/79/83/21/780798321.db2.gz MXSQWGSDXOHELI-ZJUUUORDSA-N 1 2 293.327 -1.136 20 0 CAADLO NC(=O)C(=O)NC1(C[NH2+]Cc2csnn2)CCOCC1 ZINC001281263675 780799508 /nfs/dbraw/zinc/79/95/08/780799508.db2.gz CBQBGYFVJIDJJA-UHFFFAOYSA-N 1 2 299.356 -1.222 20 0 CAADLO C[C@H](C[C@@H](C)NC(=O)C(N)=O)NC(=O)Cc1c[nH]c[nH+]1 ZINC001281450288 780802939 /nfs/dbraw/zinc/80/29/39/780802939.db2.gz YWFOLOJHMJZGTG-HTQZYQBOSA-N 1 2 281.316 -1.163 20 0 CAADLO C[C@H](CNC(=O)CC(N)=O)[N@H+](C)Cc1nc(=O)n(C)[nH]1 ZINC001282367775 780814179 /nfs/dbraw/zinc/81/41/79/780814179.db2.gz RKQSYJAJEHXPTN-SSDOTTSWSA-N 1 2 284.320 -2.080 20 0 CAADLO C[C@H](CNC(=O)CC(N)=O)[N@@H+](C)Cc1nc(=O)n(C)[nH]1 ZINC001282367775 780814189 /nfs/dbraw/zinc/81/41/89/780814189.db2.gz RKQSYJAJEHXPTN-SSDOTTSWSA-N 1 2 284.320 -2.080 20 0 CAADLO CNC(=O)C[N@H+](C)[C@H](C)CNC(=O)C(=O)NCC(F)F ZINC001282424525 780816144 /nfs/dbraw/zinc/81/61/44/780816144.db2.gz OELZXQINPLXFFC-SSDOTTSWSA-N 1 2 294.302 -1.450 20 0 CAADLO CNC(=O)C[N@@H+](C)[C@H](C)CNC(=O)C(=O)NCC(F)F ZINC001282424525 780816158 /nfs/dbraw/zinc/81/61/58/780816158.db2.gz OELZXQINPLXFFC-SSDOTTSWSA-N 1 2 294.302 -1.450 20 0 CAADLO CNC(=O)C[N@H+](C)[C@@H](C)CNC(=O)C(=O)NCC(F)F ZINC001282424542 780816943 /nfs/dbraw/zinc/81/69/43/780816943.db2.gz OELZXQINPLXFFC-ZETCQYMHSA-N 1 2 294.302 -1.450 20 0 CAADLO CNC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)C(=O)NCC(F)F ZINC001282424542 780816949 /nfs/dbraw/zinc/81/69/49/780816949.db2.gz OELZXQINPLXFFC-ZETCQYMHSA-N 1 2 294.302 -1.450 20 0 CAADLO CCOCC[NH+]1CC(CCO)(NC(=O)Cn2cncn2)C1 ZINC001282544700 780821216 /nfs/dbraw/zinc/82/12/16/780821216.db2.gz FRFXRCQGTREABJ-UHFFFAOYSA-N 1 2 297.359 -1.132 20 0 CAADLO CC[NH+]1CC(CCO)(NC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001282537442 780821384 /nfs/dbraw/zinc/82/13/84/780821384.db2.gz DUPLLLYMLPXQIJ-BDAKNGLRSA-N 1 2 255.318 -1.319 20 0 CAADLO CC[NH+]1CC(CCO)(NC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001282540057 780821533 /nfs/dbraw/zinc/82/15/33/780821533.db2.gz VHCJCLQFMVCJQJ-VIFPVBQESA-N 1 2 255.318 -1.162 20 0 CAADLO COCC[NH+]1CC(CCO)(NC(=O)CC(N)=O)C1 ZINC001282509578 780822211 /nfs/dbraw/zinc/82/22/11/780822211.db2.gz JGLPKAZDJWVGQA-UHFFFAOYSA-N 1 2 259.306 -1.939 20 0 CAADLO CNC(=O)C1(C(=O)N[C@H](C)C2C[NH+](CC(N)=O)C2)CCC1 ZINC001282736543 780822624 /nfs/dbraw/zinc/82/26/24/780822624.db2.gz DKCZBFWNZINXGW-SECBINFHSA-N 1 2 296.371 -1.176 20 0 CAADLO CC(C)(C(N)=O)C(=O)N[C@H]1C[N@H+](CC(N)=O)CC1(C)C ZINC001282810827 780822986 /nfs/dbraw/zinc/82/29/86/780822986.db2.gz KJZRSQOAYWNSTD-QMMMGPOBSA-N 1 2 284.360 -1.190 20 0 CAADLO CC(C)(C(N)=O)C(=O)N[C@H]1C[N@@H+](CC(N)=O)CC1(C)C ZINC001282810827 780822990 /nfs/dbraw/zinc/82/29/90/780822990.db2.gz KJZRSQOAYWNSTD-QMMMGPOBSA-N 1 2 284.360 -1.190 20 0 CAADLO O=C(Cn1cc[nH+]c1)NCCNC(=O)CN1CCOCC1 ZINC001282981027 780837150 /nfs/dbraw/zinc/83/71/50/780837150.db2.gz SNMJWLXYFOPGLA-UHFFFAOYSA-N 1 2 295.343 -1.552 20 0 CAADLO Cn1cnc(C(=O)NCCNC(=O)Cc2c[nH]c[nH+]2)n1 ZINC001282997070 780838542 /nfs/dbraw/zinc/83/85/42/780838542.db2.gz DRDBFMNSUYEFAD-UHFFFAOYSA-N 1 2 277.288 -1.373 20 0 CAADLO O=C(CO[C@H]1CCOC1)NCCNC(=O)Cc1[nH]cc[nH+]1 ZINC001283016366 780839373 /nfs/dbraw/zinc/83/93/73/780839373.db2.gz VCKMFLKGPYKREU-JTQLQIEISA-N 1 2 296.327 -1.010 20 0 CAADLO O=C(CO[C@H]1CCOC1)NCCNC(=O)Cc1c[nH]c[nH+]1 ZINC001283015498 780839756 /nfs/dbraw/zinc/83/97/56/780839756.db2.gz LSVJOVXVYLVOME-NSHDSACASA-N 1 2 296.327 -1.010 20 0 CAADLO NC(=O)CCCC(=O)NCCNC(=O)Cc1[nH]cc[nH+]1 ZINC001283094931 780843604 /nfs/dbraw/zinc/84/36/04/780843604.db2.gz AYDLGNAGQLUHHW-UHFFFAOYSA-N 1 2 281.316 -1.160 20 0 CAADLO Cc1[nH+]c[nH]c1CC(=O)NCCNC(=O)C(N)=O ZINC001283135896 780844479 /nfs/dbraw/zinc/84/44/79/780844479.db2.gz SRNNJPBJIGXEOS-UHFFFAOYSA-N 1 2 253.262 -2.022 20 0 CAADLO Cc1[nH+]c[nH]c1CC(=O)NCCNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001283135202 780844889 /nfs/dbraw/zinc/84/48/89/780844889.db2.gz LDYLUQIHJXIPCG-BDAKNGLRSA-N 1 2 293.327 -1.386 20 0 CAADLO C[C@@H](CCC[NH2+]Cc1nnn(C)n1)NC(=O)C(N)=O ZINC001283228623 780846855 /nfs/dbraw/zinc/84/68/55/780846855.db2.gz GYAFIIBDZSQDPP-ZETCQYMHSA-N 1 2 269.309 -1.930 20 0 CAADLO O=C(Cn1cc[nH+]c1)NCCCNC(=O)[C@@H]1CNC(=O)N1 ZINC001283290578 780848278 /nfs/dbraw/zinc/84/82/78/780848278.db2.gz TZAPOTIQMGUCDI-VIFPVBQESA-N 1 2 294.315 -1.813 20 0 CAADLO Cc1cnc(C[N@H+](C)CCOCCNC(=O)C(N)=O)nc1 ZINC001283407659 780852075 /nfs/dbraw/zinc/85/20/75/780852075.db2.gz LCYPIIYMTOWOFF-UHFFFAOYSA-N 1 2 295.343 -1.165 20 0 CAADLO Cc1cnc(C[N@@H+](C)CCOCCNC(=O)C(N)=O)nc1 ZINC001283407659 780852084 /nfs/dbraw/zinc/85/20/84/780852084.db2.gz LCYPIIYMTOWOFF-UHFFFAOYSA-N 1 2 295.343 -1.165 20 0 CAADLO Cc1nnc([C@@H](C)[N@H+](C)CCOCCNC(=O)C(N)=O)[nH]1 ZINC001283406513 780852493 /nfs/dbraw/zinc/85/24/93/780852493.db2.gz FOAWWTNHXSQIEH-MRVPVSSYSA-N 1 2 298.347 -1.276 20 0 CAADLO Cc1nnc([C@@H](C)[N@@H+](C)CCOCCNC(=O)C(N)=O)[nH]1 ZINC001283406513 780852500 /nfs/dbraw/zinc/85/25/00/780852500.db2.gz FOAWWTNHXSQIEH-MRVPVSSYSA-N 1 2 298.347 -1.276 20 0 CAADLO CCn1nc(C)c(C[NH2+][C@H](CO)CNC(=O)CC(N)=O)n1 ZINC001283745339 780859981 /nfs/dbraw/zinc/85/99/81/780859981.db2.gz JOBXPYPDUPJYFP-VIFPVBQESA-N 1 2 298.347 -1.951 20 0 CAADLO CC(C)n1ncnc1C[NH2+][C@H](CO)CNC(=O)CC(N)=O ZINC001283747815 780861444 /nfs/dbraw/zinc/86/14/44/780861444.db2.gz YVCUWVMEGAPSEO-VIFPVBQESA-N 1 2 298.347 -1.699 20 0 CAADLO Cc1nc(C[NH2+][C@@H](CO)CNC(=O)CC(N)=O)co1 ZINC001283747652 780861615 /nfs/dbraw/zinc/86/16/15/780861615.db2.gz XPMUZEJKWCCEJT-MRVPVSSYSA-N 1 2 270.289 -1.575 20 0 CAADLO CC(C)n1ncnc1C[NH2+][C@@H](CO)CNC(=O)CC(N)=O ZINC001283747810 780861748 /nfs/dbraw/zinc/86/17/48/780861748.db2.gz YVCUWVMEGAPSEO-SECBINFHSA-N 1 2 298.347 -1.699 20 0 CAADLO CCN(CCCNC(=O)C(N)=O)C(=O)Cc1c[nH+]c[nH]1 ZINC001283756814 780863485 /nfs/dbraw/zinc/86/34/85/780863485.db2.gz XJEDRMMEVBXEAW-UHFFFAOYSA-N 1 2 281.316 -1.208 20 0 CAADLO O=C(C[C@@H]1CCC(=O)N1)NCC[NH2+]Cc1cnon1 ZINC001135220587 781354584 /nfs/dbraw/zinc/35/45/84/781354584.db2.gz ZIDZRNZMPLKGCU-QMMMGPOBSA-N 1 2 267.289 -1.056 20 0 CAADLO Cn1ncc(C(=O)NCC[NH2+]Cc2cnon2)n1 ZINC001135284224 781360491 /nfs/dbraw/zinc/36/04/91/781360491.db2.gz HTUSCYXFFKODHR-UHFFFAOYSA-N 1 2 251.250 -1.282 20 0 CAADLO Cc1n[nH]c(C)c1C(=O)NCC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001135421051 781367439 /nfs/dbraw/zinc/36/74/39/781367439.db2.gz NLCDSMHRUDPNEQ-UHFFFAOYSA-N 1 2 293.331 -1.032 20 0 CAADLO O=C(CN1CC(=O)NC1=O)NCC[NH2+]Cc1nncs1 ZINC001135444078 781367485 /nfs/dbraw/zinc/36/74/85/781367485.db2.gz MSLROPOVDHWPJH-UHFFFAOYSA-N 1 2 298.328 -1.704 20 0 CAADLO O=C(CN1CC(=O)NC1=O)NCC[NH2+]Cc1cnon1 ZINC001135444260 781367497 /nfs/dbraw/zinc/36/74/97/781367497.db2.gz QDVCYMZGVDAXHP-UHFFFAOYSA-N 1 2 282.260 -2.173 20 0 CAADLO O=C(Cn1[nH]cc2c(=O)ncnc1-2)NCC[NH2+]CCF ZINC001135465876 781369097 /nfs/dbraw/zinc/36/90/97/781369097.db2.gz SXEPUSMVQDZOOL-UHFFFAOYSA-N 1 2 282.279 -1.254 20 0 CAADLO O=C(CN1CC(=O)NC1=O)NCC[NH2+]Cc1ncccn1 ZINC001135440087 781369352 /nfs/dbraw/zinc/36/93/52/781369352.db2.gz FDXHDMMVUOFWLB-UHFFFAOYSA-N 1 2 292.299 -1.766 20 0 CAADLO CCn1nncc1C[NH2+]CCNC(=O)c1nc[nH]n1 ZINC001135520233 781369865 /nfs/dbraw/zinc/36/98/65/781369865.db2.gz IYTITXMKWKAJAB-UHFFFAOYSA-N 1 2 264.293 -1.064 20 0 CAADLO C[C@@H]([NH2+]CCNC(=O)c1nnc[nH]1)c1nnnn1C ZINC001135520186 781369934 /nfs/dbraw/zinc/36/99/34/781369934.db2.gz HQKFYEXQWYNONF-ZCFIWIBFSA-N 1 2 265.281 -1.591 20 0 CAADLO CC[NH+](CC)CC(=O)NCCNCc1nc(=O)n(C)[nH]1 ZINC001135508080 781370129 /nfs/dbraw/zinc/37/01/29/781370129.db2.gz FQXFBWXFCWVRLD-UHFFFAOYSA-N 1 2 284.364 -1.344 20 0 CAADLO O=C(NCC[NH2+]Cc1ncnn1CCF)c1nnc[nH]1 ZINC001135521120 781371323 /nfs/dbraw/zinc/37/13/23/781371323.db2.gz SHGFJUARCFXVIS-UHFFFAOYSA-N 1 2 282.283 -1.115 20 0 CAADLO Cn1[nH]c(C[NH2+]CCNC(=O)c2cnon2)nc1=O ZINC001135573872 781376847 /nfs/dbraw/zinc/37/68/47/781376847.db2.gz XUBTZNPFGRXQCE-UHFFFAOYSA-N 1 2 267.249 -1.989 20 0 CAADLO Cn1[nH]c(C[NH2+]CCNC(=O)CCn2cnnn2)nc1=O ZINC001135677649 781379392 /nfs/dbraw/zinc/37/93/92/781379392.db2.gz SHBLCJOKKPIXJL-UHFFFAOYSA-N 1 2 295.307 -2.609 20 0 CAADLO O=C(CCn1cnnn1)NCC[NH2+]Cc1ncccn1 ZINC001135677487 781379455 /nfs/dbraw/zinc/37/94/55/781379455.db2.gz LMABGQZKTBELTF-UHFFFAOYSA-N 1 2 276.304 -1.241 20 0 CAADLO CNC(=O)C[NH+]1CCC(NC(=O)c2cn[nH]n2)CC1 ZINC000108630776 781379633 /nfs/dbraw/zinc/37/96/33/781379633.db2.gz JSJVHXNTLWNBOF-UHFFFAOYSA-N 1 2 266.305 -1.255 20 0 CAADLO CNC(=O)C[NH+]1CCC(NC(=O)c2cnn[nH]2)CC1 ZINC000108630776 781379636 /nfs/dbraw/zinc/37/96/36/781379636.db2.gz JSJVHXNTLWNBOF-UHFFFAOYSA-N 1 2 266.305 -1.255 20 0 CAADLO O=C(CCn1cnnn1)NCC[NH2+]Cc1cnsn1 ZINC001135677761 781379787 /nfs/dbraw/zinc/37/97/87/781379787.db2.gz YBEIMAVEDVWJNH-UHFFFAOYSA-N 1 2 282.333 -1.179 20 0 CAADLO O=C(CCn1cnnn1)NCC[NH2+]Cc1nncs1 ZINC001135681343 781381285 /nfs/dbraw/zinc/38/12/85/781381285.db2.gz HMLRSDSYYMJDRJ-UHFFFAOYSA-N 1 2 282.333 -1.179 20 0 CAADLO O=C(NCC[NH2+]Cc1cnon1)C(=O)NCC(F)(F)F ZINC001135910546 781389953 /nfs/dbraw/zinc/38/99/53/781389953.db2.gz IXEBIYKGWBSHOE-UHFFFAOYSA-N 1 2 295.221 -1.046 20 0 CAADLO COC[C@@H](C)CC(=O)NCC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001136113938 781394992 /nfs/dbraw/zinc/39/49/92/781394992.db2.gz XFTQMBIBFLTFQP-VIFPVBQESA-N 1 2 285.348 -1.013 20 0 CAADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@H](CO)NC(N)=O ZINC001136226665 781396689 /nfs/dbraw/zinc/39/66/89/781396689.db2.gz HUCIRIJVOOWTQW-YUMQZZPRSA-N 1 2 255.278 -1.583 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)C(N)=O)[C@H](O)C1 ZINC001090531261 781397336 /nfs/dbraw/zinc/39/73/36/781397336.db2.gz JUAJJSXNGIJZLH-NKWVEPMBSA-N 1 2 258.278 -3.231 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)C(N)=O)[C@H](O)C1 ZINC001090531261 781397340 /nfs/dbraw/zinc/39/73/40/781397340.db2.gz JUAJJSXNGIJZLH-NKWVEPMBSA-N 1 2 258.278 -3.231 20 0 CAADLO NC(=O)C(=O)N[C@@H]1CC[N@H+](Cc2ccc(F)cn2)C[C@H]1O ZINC001090531228 781398047 /nfs/dbraw/zinc/39/80/47/781398047.db2.gz JLBUTUKVENKLIX-GHMZBOCLSA-N 1 2 296.302 -1.243 20 0 CAADLO NC(=O)C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(F)cn2)C[C@H]1O ZINC001090531228 781398053 /nfs/dbraw/zinc/39/80/53/781398053.db2.gz JLBUTUKVENKLIX-GHMZBOCLSA-N 1 2 296.302 -1.243 20 0 CAADLO Cc1nc(C[N@@H+]2CC[C@@H](NC(=O)C(N)=O)[C@H](O)C2)oc1C ZINC001090531015 781398077 /nfs/dbraw/zinc/39/80/77/781398077.db2.gz HPNOGRBZTNNASI-NXEZZACHSA-N 1 2 296.327 -1.172 20 0 CAADLO Cc1nc(C[N@H+]2CC[C@@H](NC(=O)C(N)=O)[C@H](O)C2)oc1C ZINC001090531015 781398087 /nfs/dbraw/zinc/39/80/87/781398087.db2.gz HPNOGRBZTNNASI-NXEZZACHSA-N 1 2 296.327 -1.172 20 0 CAADLO Cc1nc(C[N@@H+]2CC[C@H](NC(=O)C(N)=O)[C@H](O)C2)oc1C ZINC001090531017 781399100 /nfs/dbraw/zinc/39/91/00/781399100.db2.gz HPNOGRBZTNNASI-VHSXEESVSA-N 1 2 296.327 -1.172 20 0 CAADLO Cc1nc(C[N@H+]2CC[C@H](NC(=O)C(N)=O)[C@H](O)C2)oc1C ZINC001090531017 781399109 /nfs/dbraw/zinc/39/91/09/781399109.db2.gz HPNOGRBZTNNASI-VHSXEESVSA-N 1 2 296.327 -1.172 20 0 CAADLO Cn1ccc(C[N@@H+]2CC[C@@H](NC(=O)C(N)=O)[C@@H](O)C2)n1 ZINC001090531653 781399535 /nfs/dbraw/zinc/39/95/35/781399535.db2.gz MQXACHKTNGZDQM-ZJUUUORDSA-N 1 2 281.316 -2.043 20 0 CAADLO Cn1ccc(C[N@H+]2CC[C@@H](NC(=O)C(N)=O)[C@@H](O)C2)n1 ZINC001090531653 781399541 /nfs/dbraw/zinc/39/95/41/781399541.db2.gz MQXACHKTNGZDQM-ZJUUUORDSA-N 1 2 281.316 -2.043 20 0 CAADLO Cn1ccc(C[N@@H+]2CC[C@H](NC(=O)C(N)=O)[C@H](O)C2)n1 ZINC001090531651 781399601 /nfs/dbraw/zinc/39/96/01/781399601.db2.gz MQXACHKTNGZDQM-VHSXEESVSA-N 1 2 281.316 -2.043 20 0 CAADLO Cn1ccc(C[N@H+]2CC[C@H](NC(=O)C(N)=O)[C@H](O)C2)n1 ZINC001090531651 781399609 /nfs/dbraw/zinc/39/96/09/781399609.db2.gz MQXACHKTNGZDQM-VHSXEESVSA-N 1 2 281.316 -2.043 20 0 CAADLO Cn1ccc(C[N@@H+]2CC[C@@H](NC(=O)C(N)=O)[C@H](O)C2)n1 ZINC001090531646 781399679 /nfs/dbraw/zinc/39/96/79/781399679.db2.gz MQXACHKTNGZDQM-NXEZZACHSA-N 1 2 281.316 -2.043 20 0 CAADLO Cn1ccc(C[N@H+]2CC[C@@H](NC(=O)C(N)=O)[C@H](O)C2)n1 ZINC001090531646 781399693 /nfs/dbraw/zinc/39/96/93/781399693.db2.gz MQXACHKTNGZDQM-NXEZZACHSA-N 1 2 281.316 -2.043 20 0 CAADLO COc1cc(C[N@@H+]2CC[C@H](NC(=O)C(N)=O)[C@H](O)C2)on1 ZINC001090532697 781400174 /nfs/dbraw/zinc/40/01/74/781400174.db2.gz DNLLQWCMQNBIHF-DTWKUNHWSA-N 1 2 298.299 -1.780 20 0 CAADLO COc1cc(C[N@H+]2CC[C@H](NC(=O)C(N)=O)[C@H](O)C2)on1 ZINC001090532697 781400180 /nfs/dbraw/zinc/40/01/80/781400180.db2.gz DNLLQWCMQNBIHF-DTWKUNHWSA-N 1 2 298.299 -1.780 20 0 CAADLO CCn1nncc1C[N@@H+]1CC[C@@H](NC(=O)C(N)=O)[C@@H](O)C1 ZINC001090532499 781400910 /nfs/dbraw/zinc/40/09/10/781400910.db2.gz BVWGQIIXLKZGNO-ZJUUUORDSA-N 1 2 296.331 -2.165 20 0 CAADLO CCn1nncc1C[N@H+]1CC[C@@H](NC(=O)C(N)=O)[C@@H](O)C1 ZINC001090532499 781400916 /nfs/dbraw/zinc/40/09/16/781400916.db2.gz BVWGQIIXLKZGNO-ZJUUUORDSA-N 1 2 296.331 -2.165 20 0 CAADLO Cc1csc(C[N@@H+]2CC[C@@H](NC(=O)C(N)=O)[C@@H](O)C2)n1 ZINC001090532028 781401183 /nfs/dbraw/zinc/40/11/83/781401183.db2.gz PWVQRZBIGUWTPX-BDAKNGLRSA-N 1 2 298.368 -1.012 20 0 CAADLO Cc1csc(C[N@H+]2CC[C@@H](NC(=O)C(N)=O)[C@@H](O)C2)n1 ZINC001090532028 781401194 /nfs/dbraw/zinc/40/11/94/781401194.db2.gz PWVQRZBIGUWTPX-BDAKNGLRSA-N 1 2 298.368 -1.012 20 0 CAADLO Cn1nncc1C[N@@H+]1CC[C@H](NC(=O)C(N)=O)[C@@H](O)C1 ZINC001090533299 781401817 /nfs/dbraw/zinc/40/18/17/781401817.db2.gz YUAXFKWKHYQJBK-IUCAKERBSA-N 1 2 282.304 -2.648 20 0 CAADLO Cn1nncc1C[N@H+]1CC[C@H](NC(=O)C(N)=O)[C@@H](O)C1 ZINC001090533299 781401824 /nfs/dbraw/zinc/40/18/24/781401824.db2.gz YUAXFKWKHYQJBK-IUCAKERBSA-N 1 2 282.304 -2.648 20 0 CAADLO Cn1nncc1C[N@@H+]1CC[C@H](NC(=O)C(N)=O)[C@H](O)C1 ZINC001090533298 781402210 /nfs/dbraw/zinc/40/22/10/781402210.db2.gz YUAXFKWKHYQJBK-DTWKUNHWSA-N 1 2 282.304 -2.648 20 0 CAADLO Cn1nncc1C[N@H+]1CC[C@H](NC(=O)C(N)=O)[C@H](O)C1 ZINC001090533298 781402212 /nfs/dbraw/zinc/40/22/12/781402212.db2.gz YUAXFKWKHYQJBK-DTWKUNHWSA-N 1 2 282.304 -2.648 20 0 CAADLO Cc1cnc(C[N@@H+]2CC[C@H](NC(=O)C(N)=O)[C@@H](O)C2)s1 ZINC001090533989 781403560 /nfs/dbraw/zinc/40/35/60/781403560.db2.gz LLDCCYGPAPEHIW-IUCAKERBSA-N 1 2 298.368 -1.012 20 0 CAADLO Cc1cnc(C[N@H+]2CC[C@H](NC(=O)C(N)=O)[C@@H](O)C2)s1 ZINC001090533989 781403566 /nfs/dbraw/zinc/40/35/66/781403566.db2.gz LLDCCYGPAPEHIW-IUCAKERBSA-N 1 2 298.368 -1.012 20 0 CAADLO Cc1cc(C[N@@H+]2CC[C@@H](NC(=O)C(N)=O)[C@@H](O)C2)nn1C ZINC001090534068 781403946 /nfs/dbraw/zinc/40/39/46/781403946.db2.gz LTTSUBRBQLZDLY-MNOVXSKESA-N 1 2 295.343 -1.735 20 0 CAADLO Cc1cc(C[N@H+]2CC[C@@H](NC(=O)C(N)=O)[C@@H](O)C2)nn1C ZINC001090534068 781403951 /nfs/dbraw/zinc/40/39/51/781403951.db2.gz LTTSUBRBQLZDLY-MNOVXSKESA-N 1 2 295.343 -1.735 20 0 CAADLO CCn1ccc(C[N@@H+]2CC[C@@H](NC(=O)C(N)=O)[C@@H](O)C2)n1 ZINC001090534601 781404513 /nfs/dbraw/zinc/40/45/13/781404513.db2.gz PSSMFTABTBHFOX-MNOVXSKESA-N 1 2 295.343 -1.560 20 0 CAADLO CCn1ccc(C[N@H+]2CC[C@@H](NC(=O)C(N)=O)[C@@H](O)C2)n1 ZINC001090534601 781404517 /nfs/dbraw/zinc/40/45/17/781404517.db2.gz PSSMFTABTBHFOX-MNOVXSKESA-N 1 2 295.343 -1.560 20 0 CAADLO Cc1conc1C[N@@H+]1CC[C@@H](NC(=O)C(N)=O)[C@H](O)C1 ZINC001090535675 781405338 /nfs/dbraw/zinc/40/53/38/781405338.db2.gz VEILSLZJKJKYOH-PSASIEDQSA-N 1 2 282.300 -1.480 20 0 CAADLO Cc1conc1C[N@H+]1CC[C@@H](NC(=O)C(N)=O)[C@H](O)C1 ZINC001090535675 781405345 /nfs/dbraw/zinc/40/53/45/781405345.db2.gz VEILSLZJKJKYOH-PSASIEDQSA-N 1 2 282.300 -1.480 20 0 CAADLO Cc1conc1C[N@@H+]1CC[C@H](NC(=O)C(N)=O)[C@H](O)C1 ZINC001090535677 781405528 /nfs/dbraw/zinc/40/55/28/781405528.db2.gz VEILSLZJKJKYOH-WCBMZHEXSA-N 1 2 282.300 -1.480 20 0 CAADLO Cc1conc1C[N@H+]1CC[C@H](NC(=O)C(N)=O)[C@H](O)C1 ZINC001090535677 781405534 /nfs/dbraw/zinc/40/55/34/781405534.db2.gz VEILSLZJKJKYOH-WCBMZHEXSA-N 1 2 282.300 -1.480 20 0 CAADLO Cc1cnc(C[N@@H+]2CC[C@H](NC(=O)C(N)=O)[C@H](O)C2)cn1 ZINC001090536095 781405694 /nfs/dbraw/zinc/40/56/94/781405694.db2.gz ADLJEKODKNYBCM-WDEREUQCSA-N 1 2 293.327 -1.678 20 0 CAADLO Cc1cnc(C[N@H+]2CC[C@H](NC(=O)C(N)=O)[C@H](O)C2)cn1 ZINC001090536095 781405698 /nfs/dbraw/zinc/40/56/98/781405698.db2.gz ADLJEKODKNYBCM-WDEREUQCSA-N 1 2 293.327 -1.678 20 0 CAADLO NC(=O)C(=O)N[C@H]1CC[N@H+](Cc2ccns2)C[C@H]1O ZINC001090535692 781406046 /nfs/dbraw/zinc/40/60/46/781406046.db2.gz VHAPXCJDKQZMMD-DTWKUNHWSA-N 1 2 284.341 -1.320 20 0 CAADLO NC(=O)C(=O)N[C@H]1CC[N@@H+](Cc2ccns2)C[C@H]1O ZINC001090535692 781406049 /nfs/dbraw/zinc/40/60/49/781406049.db2.gz VHAPXCJDKQZMMD-DTWKUNHWSA-N 1 2 284.341 -1.320 20 0 CAADLO NC(=O)C(=O)N[C@@H]1CC[N@H+](Cc2ccns2)C[C@@H]1O ZINC001090535691 781406198 /nfs/dbraw/zinc/40/61/98/781406198.db2.gz VHAPXCJDKQZMMD-BDAKNGLRSA-N 1 2 284.341 -1.320 20 0 CAADLO NC(=O)C(=O)N[C@@H]1CC[N@@H+](Cc2ccns2)C[C@@H]1O ZINC001090535691 781406204 /nfs/dbraw/zinc/40/62/04/781406204.db2.gz VHAPXCJDKQZMMD-BDAKNGLRSA-N 1 2 284.341 -1.320 20 0 CAADLO Cc1nnsc1C[N@@H+]1CC[C@@H](NC(=O)C(N)=O)[C@H](O)C1 ZINC001090535201 781406417 /nfs/dbraw/zinc/40/64/17/781406417.db2.gz SJHHPSHWUUXGBO-HTQZYQBOSA-N 1 2 299.356 -1.617 20 0 CAADLO Cc1nnsc1C[N@H+]1CC[C@@H](NC(=O)C(N)=O)[C@H](O)C1 ZINC001090535201 781406421 /nfs/dbraw/zinc/40/64/21/781406421.db2.gz SJHHPSHWUUXGBO-HTQZYQBOSA-N 1 2 299.356 -1.617 20 0 CAADLO Cc1nocc1C(=O)N[C@@H]1CC[N@H+](CC(N)=O)C[C@@H]1O ZINC001090539291 781407289 /nfs/dbraw/zinc/40/72/89/781407289.db2.gz WUBUEAISXZCXSM-ZJUUUORDSA-N 1 2 282.300 -1.367 20 0 CAADLO Cc1nocc1C(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C[C@@H]1O ZINC001090539291 781407294 /nfs/dbraw/zinc/40/72/94/781407294.db2.gz WUBUEAISXZCXSM-ZJUUUORDSA-N 1 2 282.300 -1.367 20 0 CAADLO O=C(N[C@H]1CC[N@@H+](CCO)C[C@@H]1O)c1[nH]ncc1F ZINC001090555701 781408984 /nfs/dbraw/zinc/40/89/84/781408984.db2.gz OFPPCMCXYINQRV-IUCAKERBSA-N 1 2 272.280 -1.294 20 0 CAADLO O=C(N[C@H]1CC[N@H+](CCO)C[C@@H]1O)c1[nH]ncc1F ZINC001090555701 781408987 /nfs/dbraw/zinc/40/89/87/781408987.db2.gz OFPPCMCXYINQRV-IUCAKERBSA-N 1 2 272.280 -1.294 20 0 CAADLO CCc1nocc1C(=O)N[C@@H]1CC[N@H+](CC(N)=O)C[C@H]1O ZINC001090557321 781409080 /nfs/dbraw/zinc/40/90/80/781409080.db2.gz YCMPTNFJYHQWDD-GHMZBOCLSA-N 1 2 296.327 -1.113 20 0 CAADLO CCc1nocc1C(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C[C@H]1O ZINC001090557321 781409084 /nfs/dbraw/zinc/40/90/84/781409084.db2.gz YCMPTNFJYHQWDD-GHMZBOCLSA-N 1 2 296.327 -1.113 20 0 CAADLO Cn1cc(C(=O)N[C@H]2CC[N@H+](CC(N)=O)C[C@H]2O)[nH]c1=O ZINC001090553614 781409106 /nfs/dbraw/zinc/40/91/06/781409106.db2.gz PBVOTQNYYBSYQU-IONNQARKSA-N 1 2 297.315 -2.224 20 0 CAADLO Cn1cc(C(=O)N[C@H]2CC[N@@H+](CC(N)=O)C[C@H]2O)[nH]c1=O ZINC001090553614 781409108 /nfs/dbraw/zinc/40/91/08/781409108.db2.gz PBVOTQNYYBSYQU-IONNQARKSA-N 1 2 297.315 -2.224 20 0 CAADLO Cc1c(C(=O)N[C@H]2CC[N@H+](CC(N)=O)C[C@@H]2O)ccn1C ZINC001090555661 781409115 /nfs/dbraw/zinc/40/91/15/781409115.db2.gz NPTUYSKRAMKKMB-RYUDHWBXSA-N 1 2 294.355 -1.016 20 0 CAADLO Cc1c(C(=O)N[C@H]2CC[N@@H+](CC(N)=O)C[C@@H]2O)ccn1C ZINC001090555661 781409117 /nfs/dbraw/zinc/40/91/17/781409117.db2.gz NPTUYSKRAMKKMB-RYUDHWBXSA-N 1 2 294.355 -1.016 20 0 CAADLO Cc1c(C(=O)N[C@@H]2CC[N@H+](CC(N)=O)C[C@@H]2O)ccn1C ZINC001090555659 781409306 /nfs/dbraw/zinc/40/93/06/781409306.db2.gz NPTUYSKRAMKKMB-NEPJUHHUSA-N 1 2 294.355 -1.016 20 0 CAADLO Cc1c(C(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C[C@@H]2O)ccn1C ZINC001090555659 781409311 /nfs/dbraw/zinc/40/93/11/781409311.db2.gz NPTUYSKRAMKKMB-NEPJUHHUSA-N 1 2 294.355 -1.016 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)c2n[nH]cc2F)[C@@H](O)C1 ZINC001090553823 781409653 /nfs/dbraw/zinc/40/96/53/781409653.db2.gz RWDCEYAYPWODEF-YUMQZZPRSA-N 1 2 285.279 -1.801 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)c2n[nH]cc2F)[C@@H](O)C1 ZINC001090553823 781409656 /nfs/dbraw/zinc/40/96/56/781409656.db2.gz RWDCEYAYPWODEF-YUMQZZPRSA-N 1 2 285.279 -1.801 20 0 CAADLO O=C(N[C@H]1CC[N@@H+](CCO)C[C@H]1O)c1[nH]ncc1F ZINC001090555700 781409804 /nfs/dbraw/zinc/40/98/04/781409804.db2.gz OFPPCMCXYINQRV-DTWKUNHWSA-N 1 2 272.280 -1.294 20 0 CAADLO O=C(N[C@H]1CC[N@H+](CCO)C[C@H]1O)c1[nH]ncc1F ZINC001090555700 781409810 /nfs/dbraw/zinc/40/98/10/781409810.db2.gz OFPPCMCXYINQRV-DTWKUNHWSA-N 1 2 272.280 -1.294 20 0 CAADLO CCc1nocc1C(=O)N[C@H]1CC[N@H+](CC(N)=O)C[C@@H]1O ZINC001090557323 781409841 /nfs/dbraw/zinc/40/98/41/781409841.db2.gz YCMPTNFJYHQWDD-QWRGUYRKSA-N 1 2 296.327 -1.113 20 0 CAADLO CCc1nocc1C(=O)N[C@H]1CC[N@@H+](CC(N)=O)C[C@@H]1O ZINC001090557323 781409848 /nfs/dbraw/zinc/40/98/48/781409848.db2.gz YCMPTNFJYHQWDD-QWRGUYRKSA-N 1 2 296.327 -1.113 20 0 CAADLO Cn1cc(C(=O)N[C@@H]2CC[N@H+](CC(N)=O)C[C@@H]2O)[nH]c1=O ZINC001090553612 781409917 /nfs/dbraw/zinc/40/99/17/781409917.db2.gz PBVOTQNYYBSYQU-APPZFPTMSA-N 1 2 297.315 -2.224 20 0 CAADLO Cn1cc(C(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C[C@@H]2O)[nH]c1=O ZINC001090553612 781409925 /nfs/dbraw/zinc/40/99/25/781409925.db2.gz PBVOTQNYYBSYQU-APPZFPTMSA-N 1 2 297.315 -2.224 20 0 CAADLO O=C(N[C@@H]1CC[N@@H+](CCO)C[C@@H]1O)c1[nH]ncc1F ZINC001090555699 781410243 /nfs/dbraw/zinc/41/02/43/781410243.db2.gz OFPPCMCXYINQRV-BDAKNGLRSA-N 1 2 272.280 -1.294 20 0 CAADLO O=C(N[C@@H]1CC[N@H+](CCO)C[C@@H]1O)c1[nH]ncc1F ZINC001090555699 781410248 /nfs/dbraw/zinc/41/02/48/781410248.db2.gz OFPPCMCXYINQRV-BDAKNGLRSA-N 1 2 272.280 -1.294 20 0 CAADLO Cc1ccn(CC(=O)N[C@H]2CC[N@H+](CC(N)=O)C[C@@H]2O)n1 ZINC001090579411 781411139 /nfs/dbraw/zinc/41/11/39/781411139.db2.gz FKQUMEADLIEQJK-QWRGUYRKSA-N 1 2 295.343 -1.772 20 0 CAADLO Cc1ccn(CC(=O)N[C@H]2CC[N@@H+](CC(N)=O)C[C@@H]2O)n1 ZINC001090579411 781411144 /nfs/dbraw/zinc/41/11/44/781411144.db2.gz FKQUMEADLIEQJK-QWRGUYRKSA-N 1 2 295.343 -1.772 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cc2c[nH]cn2)[C@H](O)C1 ZINC001090594949 781411446 /nfs/dbraw/zinc/41/14/46/781411446.db2.gz MKUSSGKNFRJXMT-GHMZBOCLSA-N 1 2 295.343 -1.750 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)Cc2c[nH]cn2)[C@H](O)C1 ZINC001090594949 781411453 /nfs/dbraw/zinc/41/14/53/781411453.db2.gz MKUSSGKNFRJXMT-GHMZBOCLSA-N 1 2 295.343 -1.750 20 0 CAADLO COC(=O)[C@@H]1C[C@H]([NH2+][C@@H]2C=CS(=O)(=O)C2)CN1 ZINC001246174831 781412116 /nfs/dbraw/zinc/41/21/16/781412116.db2.gz JRKUAANZUUZWHV-VGMNWLOBSA-N 1 2 260.315 -1.210 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)Cc2c[nH]cn2)[C@H](O)C1 ZINC001090594954 781412199 /nfs/dbraw/zinc/41/21/99/781412199.db2.gz MKUSSGKNFRJXMT-WDEREUQCSA-N 1 2 295.343 -1.750 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)Cc2c[nH]cn2)[C@H](O)C1 ZINC001090594954 781412201 /nfs/dbraw/zinc/41/22/01/781412201.db2.gz MKUSSGKNFRJXMT-WDEREUQCSA-N 1 2 295.343 -1.750 20 0 CAADLO CCn1ccc(C(=O)N[C@H]2CC[N@H+](CC(N)=O)C[C@@H]2O)n1 ZINC001090622080 781412975 /nfs/dbraw/zinc/41/29/75/781412975.db2.gz VDGODCKEAGUGQG-ONGXEEELSA-N 1 2 295.343 -1.447 20 0 CAADLO CCn1ccc(C(=O)N[C@H]2CC[N@@H+](CC(N)=O)C[C@@H]2O)n1 ZINC001090622080 781412982 /nfs/dbraw/zinc/41/29/82/781412982.db2.gz VDGODCKEAGUGQG-ONGXEEELSA-N 1 2 295.343 -1.447 20 0 CAADLO Cc1ccnn1CC(=O)N[C@H]1CC[N@H+](CC(N)=O)C[C@@H]1O ZINC001090612427 781413110 /nfs/dbraw/zinc/41/31/10/781413110.db2.gz MYYHQLGQKNQQSR-QWRGUYRKSA-N 1 2 295.343 -1.772 20 0 CAADLO Cc1ccnn1CC(=O)N[C@H]1CC[N@@H+](CC(N)=O)C[C@@H]1O ZINC001090612427 781413116 /nfs/dbraw/zinc/41/31/16/781413116.db2.gz MYYHQLGQKNQQSR-QWRGUYRKSA-N 1 2 295.343 -1.772 20 0 CAADLO CCc1oncc1C(=O)N[C@H]1CC[N@H+](CC(N)=O)C[C@H]1O ZINC001090617255 781413364 /nfs/dbraw/zinc/41/33/64/781413364.db2.gz TTXSYDKHQQYWNJ-VHSXEESVSA-N 1 2 296.327 -1.113 20 0 CAADLO CCc1oncc1C(=O)N[C@H]1CC[N@@H+](CC(N)=O)C[C@H]1O ZINC001090617255 781413368 /nfs/dbraw/zinc/41/33/68/781413368.db2.gz TTXSYDKHQQYWNJ-VHSXEESVSA-N 1 2 296.327 -1.113 20 0 CAADLO CCn1ccc(C(=O)N[C@H]2CC[N@H+](CC(N)=O)C[C@H]2O)n1 ZINC001090622073 781413575 /nfs/dbraw/zinc/41/35/75/781413575.db2.gz VDGODCKEAGUGQG-GXSJLCMTSA-N 1 2 295.343 -1.447 20 0 CAADLO CCn1ccc(C(=O)N[C@H]2CC[N@@H+](CC(N)=O)C[C@H]2O)n1 ZINC001090622073 781413578 /nfs/dbraw/zinc/41/35/78/781413578.db2.gz VDGODCKEAGUGQG-GXSJLCMTSA-N 1 2 295.343 -1.447 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cc2cscn2)[C@H](O)C1 ZINC001090628238 781414445 /nfs/dbraw/zinc/41/44/45/781414445.db2.gz NDGREGBKBDYYTM-NXEZZACHSA-N 1 2 298.368 -1.278 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)Cc2cscn2)[C@H](O)C1 ZINC001090628238 781414451 /nfs/dbraw/zinc/41/44/51/781414451.db2.gz NDGREGBKBDYYTM-NXEZZACHSA-N 1 2 298.368 -1.278 20 0 CAADLO Cn1ncc(C(=O)N[C@H]2CC[N@H+](CC(N)=O)C[C@H]2O)n1 ZINC001090643199 781415099 /nfs/dbraw/zinc/41/50/99/781415099.db2.gz FDLMUOSAMQERPH-IONNQARKSA-N 1 2 282.304 -2.535 20 0 CAADLO Cn1ncc(C(=O)N[C@H]2CC[N@@H+](CC(N)=O)C[C@H]2O)n1 ZINC001090643199 781415102 /nfs/dbraw/zinc/41/51/02/781415102.db2.gz FDLMUOSAMQERPH-IONNQARKSA-N 1 2 282.304 -2.535 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)Cc2cscn2)[C@@H](O)C1 ZINC001090628239 781415209 /nfs/dbraw/zinc/41/52/09/781415209.db2.gz NDGREGBKBDYYTM-UWVGGRQHSA-N 1 2 298.368 -1.278 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)Cc2cscn2)[C@@H](O)C1 ZINC001090628239 781415214 /nfs/dbraw/zinc/41/52/14/781415214.db2.gz NDGREGBKBDYYTM-UWVGGRQHSA-N 1 2 298.368 -1.278 20 0 CAADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)CO)CC1 ZINC001136668543 781416490 /nfs/dbraw/zinc/41/64/90/781416490.db2.gz UHDRJNASWKDIOF-UHFFFAOYSA-N 1 2 264.347 -1.396 20 0 CAADLO CC1(C(=O)N[C@H]2CC[N@H+](CC(N)=O)C[C@@H]2O)CCOCC1 ZINC001090653412 781416978 /nfs/dbraw/zinc/41/69/78/781416978.db2.gz ZLGVFSVRKMJPBJ-QWRGUYRKSA-N 1 2 299.371 -1.160 20 0 CAADLO CC1(C(=O)N[C@H]2CC[N@@H+](CC(N)=O)C[C@@H]2O)CCOCC1 ZINC001090653412 781416984 /nfs/dbraw/zinc/41/69/84/781416984.db2.gz ZLGVFSVRKMJPBJ-QWRGUYRKSA-N 1 2 299.371 -1.160 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ccncn2)[C@@H](O)C1 ZINC001090649527 781417063 /nfs/dbraw/zinc/41/70/63/781417063.db2.gz FIWUQROEUYBCQZ-KOLCDFICSA-N 1 2 293.327 -1.612 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2ccncn2)[C@@H](O)C1 ZINC001090649527 781417071 /nfs/dbraw/zinc/41/70/71/781417071.db2.gz FIWUQROEUYBCQZ-KOLCDFICSA-N 1 2 293.327 -1.612 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cnn(C)n2)[C@@H](O)C1 ZINC001090644579 781417165 /nfs/dbraw/zinc/41/71/65/781417165.db2.gz OCVAGMHVEJCKMX-SCZZXKLOSA-N 1 2 296.331 -2.274 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cnn(C)n2)[C@@H](O)C1 ZINC001090644579 781417173 /nfs/dbraw/zinc/41/71/73/781417173.db2.gz OCVAGMHVEJCKMX-SCZZXKLOSA-N 1 2 296.331 -2.274 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCC(=O)O2)C1 ZINC001136672616 781417232 /nfs/dbraw/zinc/41/72/32/781417232.db2.gz SKBLILISYYMAOU-RKDXNWHRSA-N 1 2 269.301 -1.242 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCC(=O)O2)C1 ZINC001136672616 781417242 /nfs/dbraw/zinc/41/72/42/781417242.db2.gz SKBLILISYYMAOU-RKDXNWHRSA-N 1 2 269.301 -1.242 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cnon2)[C@@H](O)C1 ZINC001090660442 781418040 /nfs/dbraw/zinc/41/80/40/781418040.db2.gz RRKOMQGHETWPNN-SVRRBLITSA-N 1 2 269.261 -2.280 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cnon2)[C@@H](O)C1 ZINC001090660442 781418044 /nfs/dbraw/zinc/41/80/44/781418044.db2.gz RRKOMQGHETWPNN-SVRRBLITSA-N 1 2 269.261 -2.280 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ncccn2)[C@H](O)C1 ZINC001090661234 781419297 /nfs/dbraw/zinc/41/92/97/781419297.db2.gz ZUFUCLUKQREGJW-NXEZZACHSA-N 1 2 293.327 -1.612 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2ncccn2)[C@H](O)C1 ZINC001090661234 781419298 /nfs/dbraw/zinc/41/92/98/781419298.db2.gz ZUFUCLUKQREGJW-NXEZZACHSA-N 1 2 293.327 -1.612 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2nccs2)[C@@H](O)C1 ZINC001090672465 781419909 /nfs/dbraw/zinc/41/99/09/781419909.db2.gz UCBPNZBJTQLFCC-SFYZADRCSA-N 1 2 284.341 -1.207 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)c2nccs2)[C@@H](O)C1 ZINC001090672465 781419914 /nfs/dbraw/zinc/41/99/14/781419914.db2.gz UCBPNZBJTQLFCC-SFYZADRCSA-N 1 2 284.341 -1.207 20 0 CAADLO CCn1cc(C(=O)N[C@H]2CC[N@H+](CC(N)=O)C[C@H]2O)nn1 ZINC001090682811 781420501 /nfs/dbraw/zinc/42/05/01/781420501.db2.gz MZYPRAOLRKTVGX-WCBMZHEXSA-N 1 2 296.331 -2.052 20 0 CAADLO CCn1cc(C(=O)N[C@H]2CC[N@@H+](CC(N)=O)C[C@H]2O)nn1 ZINC001090682811 781420504 /nfs/dbraw/zinc/42/05/04/781420504.db2.gz MZYPRAOLRKTVGX-WCBMZHEXSA-N 1 2 296.331 -2.052 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cccnn2)[C@@H](O)C1 ZINC001090667995 781420535 /nfs/dbraw/zinc/42/05/35/781420535.db2.gz QPUNZCBEOFXIMV-SCZZXKLOSA-N 1 2 279.300 -1.873 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cccnn2)[C@@H](O)C1 ZINC001090667995 781420539 /nfs/dbraw/zinc/42/05/39/781420539.db2.gz QPUNZCBEOFXIMV-SCZZXKLOSA-N 1 2 279.300 -1.873 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ncccn2)[C@@H](O)C1 ZINC001090664208 781420546 /nfs/dbraw/zinc/42/05/46/781420546.db2.gz HDLJWJMZZYAGDE-BDAKNGLRSA-N 1 2 279.300 -1.873 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)c2ncccn2)[C@@H](O)C1 ZINC001090664208 781420551 /nfs/dbraw/zinc/42/05/51/781420551.db2.gz HDLJWJMZZYAGDE-BDAKNGLRSA-N 1 2 279.300 -1.873 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cccnn2)[C@@H](O)C1 ZINC001090667853 781420602 /nfs/dbraw/zinc/42/06/02/781420602.db2.gz PAKZOLSEXAAICI-KOLCDFICSA-N 1 2 293.327 -1.612 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cccnn2)[C@@H](O)C1 ZINC001090667853 781420603 /nfs/dbraw/zinc/42/06/03/781420603.db2.gz PAKZOLSEXAAICI-KOLCDFICSA-N 1 2 293.327 -1.612 20 0 CAADLO CCn1cc(C(=O)N[C@@H]2CC[N@H+](CC(N)=O)C[C@H]2O)nn1 ZINC001090682807 781420620 /nfs/dbraw/zinc/42/06/20/781420620.db2.gz MZYPRAOLRKTVGX-PSASIEDQSA-N 1 2 296.331 -2.052 20 0 CAADLO CCn1cc(C(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C[C@H]2O)nn1 ZINC001090682807 781420624 /nfs/dbraw/zinc/42/06/24/781420624.db2.gz MZYPRAOLRKTVGX-PSASIEDQSA-N 1 2 296.331 -2.052 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cc2ncc[nH]2)[C@@H](O)C1 ZINC001090675870 781420764 /nfs/dbraw/zinc/42/07/64/781420764.db2.gz LCZQDPRIKZYOCE-BDAKNGLRSA-N 1 2 281.316 -2.011 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)Cc2ncc[nH]2)[C@@H](O)C1 ZINC001090675870 781420766 /nfs/dbraw/zinc/42/07/66/781420766.db2.gz LCZQDPRIKZYOCE-BDAKNGLRSA-N 1 2 281.316 -2.011 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)Cc2ncc[nH]2)[C@H](O)C1 ZINC001090673866 781420876 /nfs/dbraw/zinc/42/08/76/781420876.db2.gz NBOUFEMZFFCCNN-VHSXEESVSA-N 1 2 295.343 -1.750 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)Cc2ncc[nH]2)[C@H](O)C1 ZINC001090673866 781420879 /nfs/dbraw/zinc/42/08/79/781420879.db2.gz NBOUFEMZFFCCNN-VHSXEESVSA-N 1 2 295.343 -1.750 20 0 CAADLO Cc1nonc1CC(=O)N[C@@H]1CC[N@H+](CC(N)=O)C[C@@H]1O ZINC001090690604 781422446 /nfs/dbraw/zinc/42/24/46/781422446.db2.gz RLZILNRWIPIMFT-SCZZXKLOSA-N 1 2 297.315 -2.043 20 0 CAADLO Cc1nonc1CC(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C[C@@H]1O ZINC001090690604 781422451 /nfs/dbraw/zinc/42/24/51/781422451.db2.gz RLZILNRWIPIMFT-SCZZXKLOSA-N 1 2 297.315 -2.043 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2nocc2C)[C@H](O)C1 ZINC001090707574 781423637 /nfs/dbraw/zinc/42/36/37/781423637.db2.gz ZSFGORKHTNKVPH-VHSXEESVSA-N 1 2 296.327 -1.106 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)c2nocc2C)[C@H](O)C1 ZINC001090707574 781423641 /nfs/dbraw/zinc/42/36/41/781423641.db2.gz ZSFGORKHTNKVPH-VHSXEESVSA-N 1 2 296.327 -1.106 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2nocc2C)[C@@H](O)C1 ZINC001090707573 781423669 /nfs/dbraw/zinc/42/36/69/781423669.db2.gz ZSFGORKHTNKVPH-UWVGGRQHSA-N 1 2 296.327 -1.106 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)c2nocc2C)[C@@H](O)C1 ZINC001090707573 781423674 /nfs/dbraw/zinc/42/36/74/781423674.db2.gz ZSFGORKHTNKVPH-UWVGGRQHSA-N 1 2 296.327 -1.106 20 0 CAADLO Cc1conc1C(=O)N[C@@H]1CC[N@H+](CC(N)=O)C[C@H]1O ZINC001090709626 781424154 /nfs/dbraw/zinc/42/41/54/781424154.db2.gz OIKIZRSHMGJPCU-RKDXNWHRSA-N 1 2 282.300 -1.367 20 0 CAADLO Cc1conc1C(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C[C@H]1O ZINC001090709626 781424162 /nfs/dbraw/zinc/42/41/62/781424162.db2.gz OIKIZRSHMGJPCU-RKDXNWHRSA-N 1 2 282.300 -1.367 20 0 CAADLO O=C(Cc1nc[nH]n1)N[C@H]1CC[N@@H+](CCF)C[C@@H]1O ZINC001090707769 781424226 /nfs/dbraw/zinc/42/42/26/781424226.db2.gz NUJBAUNXNHCMAL-IUCAKERBSA-N 1 2 271.296 -1.132 20 0 CAADLO O=C(Cc1nc[nH]n1)N[C@H]1CC[N@H+](CCF)C[C@@H]1O ZINC001090707769 781424233 /nfs/dbraw/zinc/42/42/33/781424233.db2.gz NUJBAUNXNHCMAL-IUCAKERBSA-N 1 2 271.296 -1.132 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cc2nc[nH]n2)[C@@H](O)C1 ZINC001090708799 781424255 /nfs/dbraw/zinc/42/42/55/781424255.db2.gz YNIZPUYHWACSOV-BDAKNGLRSA-N 1 2 296.331 -2.355 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)Cc2nc[nH]n2)[C@@H](O)C1 ZINC001090708799 781424265 /nfs/dbraw/zinc/42/42/65/781424265.db2.gz YNIZPUYHWACSOV-BDAKNGLRSA-N 1 2 296.331 -2.355 20 0 CAADLO Cc1conc1C(=O)N[C@H]1CC[N@H+](CC(N)=O)C[C@H]1O ZINC001090709624 781425387 /nfs/dbraw/zinc/42/53/87/781425387.db2.gz OIKIZRSHMGJPCU-DTWKUNHWSA-N 1 2 282.300 -1.367 20 0 CAADLO Cc1conc1C(=O)N[C@H]1CC[N@@H+](CC(N)=O)C[C@H]1O ZINC001090709624 781425393 /nfs/dbraw/zinc/42/53/93/781425393.db2.gz OIKIZRSHMGJPCU-DTWKUNHWSA-N 1 2 282.300 -1.367 20 0 CAADLO O=C(Cc1nc[nH]n1)N[C@@H]1CC[N@@H+](CCF)C[C@@H]1O ZINC001090707754 781425642 /nfs/dbraw/zinc/42/56/42/781425642.db2.gz NUJBAUNXNHCMAL-BDAKNGLRSA-N 1 2 271.296 -1.132 20 0 CAADLO O=C(Cc1nc[nH]n1)N[C@@H]1CC[N@H+](CCF)C[C@@H]1O ZINC001090707754 781425644 /nfs/dbraw/zinc/42/56/44/781425644.db2.gz NUJBAUNXNHCMAL-BDAKNGLRSA-N 1 2 271.296 -1.132 20 0 CAADLO COC(=O)[C@@H]1C[C@@H](Nc2cc(=O)n(C)c(=O)[nH]2)C[NH2+]1 ZINC001246278652 781426052 /nfs/dbraw/zinc/42/60/52/781426052.db2.gz LRPAGWLADWKOFF-RQJHMYQMSA-N 1 2 268.273 -1.199 20 0 CAADLO Cn1cncc1CC(=O)N[C@H]1CC[N@H+](CC(N)=O)C[C@@H]1O ZINC001090727082 781427484 /nfs/dbraw/zinc/42/74/84/781427484.db2.gz GZEVJPFHOPHGMF-QWRGUYRKSA-N 1 2 295.343 -2.001 20 0 CAADLO Cn1cncc1CC(=O)N[C@H]1CC[N@@H+](CC(N)=O)C[C@@H]1O ZINC001090727082 781427486 /nfs/dbraw/zinc/42/74/86/781427486.db2.gz GZEVJPFHOPHGMF-QWRGUYRKSA-N 1 2 295.343 -2.001 20 0 CAADLO CCc1nc[nH]c1C(=O)N[C@@H]1CC[N@H+](CC(N)=O)C[C@H]1O ZINC001090764140 781428231 /nfs/dbraw/zinc/42/82/31/781428231.db2.gz BVENKYCWGWVMCS-NXEZZACHSA-N 1 2 295.343 -1.378 20 0 CAADLO CCc1nc[nH]c1C(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C[C@H]1O ZINC001090764140 781428240 /nfs/dbraw/zinc/42/82/40/781428240.db2.gz BVENKYCWGWVMCS-NXEZZACHSA-N 1 2 295.343 -1.378 20 0 CAADLO C[C@@H](NC(=O)[C@H]1C[C@H]1C(N)=O)[C@H]1CN(C)CC[N@@H+]1C ZINC001136874767 781428635 /nfs/dbraw/zinc/42/86/35/781428635.db2.gz SKUNLVJUGNAVRI-CHWFTXMASA-N 1 2 268.361 -1.142 20 0 CAADLO C[C@@H](NC(=O)[C@H]1C[C@H]1C(N)=O)[C@H]1CN(C)CC[N@H+]1C ZINC001136874767 781428640 /nfs/dbraw/zinc/42/86/40/781428640.db2.gz SKUNLVJUGNAVRI-CHWFTXMASA-N 1 2 268.361 -1.142 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)Cn2cncn2)[C@H](O)C1 ZINC001090782335 781430249 /nfs/dbraw/zinc/43/02/49/781430249.db2.gz CPDWMGYNYVMDKY-VHSXEESVSA-N 1 2 296.331 -2.425 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)Cn2cncn2)[C@H](O)C1 ZINC001090782335 781430253 /nfs/dbraw/zinc/43/02/53/781430253.db2.gz CPDWMGYNYVMDKY-VHSXEESVSA-N 1 2 296.331 -2.425 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)Cn2cncn2)[C@@H](O)C1 ZINC001090782334 781431669 /nfs/dbraw/zinc/43/16/69/781431669.db2.gz CPDWMGYNYVMDKY-UWVGGRQHSA-N 1 2 296.331 -2.425 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)Cn2cncn2)[C@@H](O)C1 ZINC001090782334 781431677 /nfs/dbraw/zinc/43/16/77/781431677.db2.gz CPDWMGYNYVMDKY-UWVGGRQHSA-N 1 2 296.331 -2.425 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cn2cncn2)[C@@H](O)C1 ZINC001090782336 781431854 /nfs/dbraw/zinc/43/18/54/781431854.db2.gz CPDWMGYNYVMDKY-ZJUUUORDSA-N 1 2 296.331 -2.425 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)Cn2cncn2)[C@@H](O)C1 ZINC001090782336 781431859 /nfs/dbraw/zinc/43/18/59/781431859.db2.gz CPDWMGYNYVMDKY-ZJUUUORDSA-N 1 2 296.331 -2.425 20 0 CAADLO Cc1c[nH]cc1C(=O)N[C@@H]1CC[N@H+](CC(N)=O)C[C@@H]1O ZINC001090804328 781433733 /nfs/dbraw/zinc/43/37/33/781433733.db2.gz HPHWFYCMDPPXIM-MNOVXSKESA-N 1 2 280.328 -1.027 20 0 CAADLO Cc1c[nH]cc1C(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C[C@@H]1O ZINC001090804328 781433739 /nfs/dbraw/zinc/43/37/39/781433739.db2.gz HPHWFYCMDPPXIM-MNOVXSKESA-N 1 2 280.328 -1.027 20 0 CAADLO Cc1c[nH]cc1C(=O)N[C@@H]1CC[N@H+](CC(N)=O)C[C@H]1O ZINC001090804326 781434157 /nfs/dbraw/zinc/43/41/57/781434157.db2.gz HPHWFYCMDPPXIM-GHMZBOCLSA-N 1 2 280.328 -1.027 20 0 CAADLO Cc1c[nH]cc1C(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C[C@H]1O ZINC001090804326 781434159 /nfs/dbraw/zinc/43/41/59/781434159.db2.gz HPHWFYCMDPPXIM-GHMZBOCLSA-N 1 2 280.328 -1.027 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)Cc2ccc[nH]2)[C@@H](O)C1 ZINC001090823181 781435304 /nfs/dbraw/zinc/43/53/04/781435304.db2.gz HZOHVXDXYNRAIF-RYUDHWBXSA-N 1 2 294.355 -1.145 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)Cc2ccc[nH]2)[C@@H](O)C1 ZINC001090823181 781435308 /nfs/dbraw/zinc/43/53/08/781435308.db2.gz HZOHVXDXYNRAIF-RYUDHWBXSA-N 1 2 294.355 -1.145 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ccn(C)n2)[C@@H](O)C1 ZINC001090809183 781435495 /nfs/dbraw/zinc/43/54/95/781435495.db2.gz SMPAOVPLTVEWQZ-KOLCDFICSA-N 1 2 295.343 -1.669 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2ccn(C)n2)[C@@H](O)C1 ZINC001090809183 781435497 /nfs/dbraw/zinc/43/54/97/781435497.db2.gz SMPAOVPLTVEWQZ-KOLCDFICSA-N 1 2 295.343 -1.669 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)Cc2ccc[nH]2)[C@@H](O)C1 ZINC001090824717 781435546 /nfs/dbraw/zinc/43/55/46/781435546.db2.gz SIDVVUUZPFHXOK-QWRGUYRKSA-N 1 2 280.328 -1.406 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)Cc2ccc[nH]2)[C@@H](O)C1 ZINC001090824717 781435549 /nfs/dbraw/zinc/43/55/49/781435549.db2.gz SIDVVUUZPFHXOK-QWRGUYRKSA-N 1 2 280.328 -1.406 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cc2ccc[nH]2)[C@H](O)C1 ZINC001090823182 781435694 /nfs/dbraw/zinc/43/56/94/781435694.db2.gz HZOHVXDXYNRAIF-VXGBXAGGSA-N 1 2 294.355 -1.145 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)Cc2ccc[nH]2)[C@H](O)C1 ZINC001090823182 781435698 /nfs/dbraw/zinc/43/56/98/781435698.db2.gz HZOHVXDXYNRAIF-VXGBXAGGSA-N 1 2 294.355 -1.145 20 0 CAADLO Cn1ccc(C(=O)N[C@@H]2CC[N@H+](CC(N)=O)C[C@@H]2O)n1 ZINC001090809026 781435704 /nfs/dbraw/zinc/43/57/04/781435704.db2.gz QSXRBSFSCNLYEF-SCZZXKLOSA-N 1 2 281.316 -1.930 20 0 CAADLO Cn1ccc(C(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C[C@@H]2O)n1 ZINC001090809026 781435709 /nfs/dbraw/zinc/43/57/09/781435709.db2.gz QSXRBSFSCNLYEF-SCZZXKLOSA-N 1 2 281.316 -1.930 20 0 CAADLO Cc1nccc(C(=O)N[C@H]2CC[N@H+](CC(N)=O)C[C@H]2O)n1 ZINC001090820016 781435805 /nfs/dbraw/zinc/43/58/05/781435805.db2.gz LQKWINZBBUTWPD-GXSJLCMTSA-N 1 2 293.327 -1.565 20 0 CAADLO Cc1nccc(C(=O)N[C@H]2CC[N@@H+](CC(N)=O)C[C@H]2O)n1 ZINC001090820016 781435812 /nfs/dbraw/zinc/43/58/12/781435812.db2.gz LQKWINZBBUTWPD-GXSJLCMTSA-N 1 2 293.327 -1.565 20 0 CAADLO Cc1nc[nH]c1C(=O)N[C@@H]1CC[N@H+](CC(N)=O)C[C@@H]1O ZINC001090847682 781437504 /nfs/dbraw/zinc/43/75/04/781437504.db2.gz AIDBQYROZMOBJN-BDAKNGLRSA-N 1 2 281.316 -1.632 20 0 CAADLO Cc1nc[nH]c1C(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C[C@@H]1O ZINC001090847682 781437508 /nfs/dbraw/zinc/43/75/08/781437508.db2.gz AIDBQYROZMOBJN-BDAKNGLRSA-N 1 2 281.316 -1.632 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2[nH]cnc2C)[C@@H](O)C1 ZINC001090847681 781437981 /nfs/dbraw/zinc/43/79/81/781437981.db2.gz AFXIDKKWEMIPNL-ZJUUUORDSA-N 1 2 295.343 -1.371 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2[nH]cnc2C)[C@@H](O)C1 ZINC001090847681 781437990 /nfs/dbraw/zinc/43/79/90/781437990.db2.gz AFXIDKKWEMIPNL-ZJUUUORDSA-N 1 2 295.343 -1.371 20 0 CAADLO Cc1nonc1C(=O)N[C@H]1CC[N@H+](CC(N)=O)C[C@@H]1O ZINC001090852182 781438021 /nfs/dbraw/zinc/43/80/21/781438021.db2.gz NYCHIRIGTXLKTO-YUMQZZPRSA-N 1 2 283.288 -1.972 20 0 CAADLO Cc1nonc1C(=O)N[C@H]1CC[N@@H+](CC(N)=O)C[C@@H]1O ZINC001090852182 781438026 /nfs/dbraw/zinc/43/80/26/781438026.db2.gz NYCHIRIGTXLKTO-YUMQZZPRSA-N 1 2 283.288 -1.972 20 0 CAADLO CNC(=O)/C=C/C(=O)N[C@@H](Cc1c[nH+]cn1C)C(=O)OC ZINC001144091948 781443049 /nfs/dbraw/zinc/44/30/49/781443049.db2.gz NVHMDDJLGJADOR-YEZKRMTDSA-N 1 2 294.311 -1.077 20 0 CAADLO C[N@@H+]1CCN(C(=O)c2c[nH]c(C(N)=O)c2)C[C@H]1CO ZINC001171137492 781443332 /nfs/dbraw/zinc/44/33/32/781443332.db2.gz CLBSLIUOCIPKGD-VIFPVBQESA-N 1 2 266.301 -1.138 20 0 CAADLO C[N@H+]1CCN(C(=O)c2c[nH]c(C(N)=O)c2)C[C@H]1CO ZINC001171137492 781443335 /nfs/dbraw/zinc/44/33/35/781443335.db2.gz CLBSLIUOCIPKGD-VIFPVBQESA-N 1 2 266.301 -1.138 20 0 CAADLO NC(=O)C[N@@H+]1CCCO[C@@H](CNC(=O)Cn2cnnn2)C1 ZINC001149145132 781447232 /nfs/dbraw/zinc/44/72/32/781447232.db2.gz XLFNGLYXEXUURA-VIFPVBQESA-N 1 2 297.319 -2.635 20 0 CAADLO NC(=O)C[N@H+]1CCCO[C@@H](CNC(=O)Cn2cnnn2)C1 ZINC001149145132 781447236 /nfs/dbraw/zinc/44/72/36/781447236.db2.gz XLFNGLYXEXUURA-VIFPVBQESA-N 1 2 297.319 -2.635 20 0 CAADLO [NH3+][C@@H]1NCN(C(=O)CCC(=O)C2CC2)[C@@H]2NCN[C@@H]21 ZINC001144235102 781447323 /nfs/dbraw/zinc/44/73/23/781447323.db2.gz COPZOFNAAFFHFQ-UTUOFQBUSA-N 1 2 267.333 -1.735 20 0 CAADLO CN(C)C(=O)/C=C\C(=O)N1CCC[N@H+](CC(N)=O)CC1 ZINC001144558210 781457645 /nfs/dbraw/zinc/45/76/45/781457645.db2.gz MMDJHBMYTPGZIZ-PLNGDYQASA-N 1 2 282.344 -1.350 20 0 CAADLO CN(C)C(=O)/C=C\C(=O)N1CCC[N@@H+](CC(N)=O)CC1 ZINC001144558210 781457650 /nfs/dbraw/zinc/45/76/50/781457650.db2.gz MMDJHBMYTPGZIZ-PLNGDYQASA-N 1 2 282.344 -1.350 20 0 CAADLO C[N@@H+]1CCO[C@H]2CN(C(=O)CCCS(N)(=O)=O)C[C@H]21 ZINC001144582820 781459310 /nfs/dbraw/zinc/45/93/10/781459310.db2.gz PSZCHLSVXFWYRP-ZJUUUORDSA-N 1 2 291.373 -1.404 20 0 CAADLO C[N@H+]1CCO[C@H]2CN(C(=O)CCCS(N)(=O)=O)C[C@H]21 ZINC001144582820 781459320 /nfs/dbraw/zinc/45/93/20/781459320.db2.gz PSZCHLSVXFWYRP-ZJUUUORDSA-N 1 2 291.373 -1.404 20 0 CAADLO NS(=O)(=O)CCCC(=O)N[C@@H](CO)Cc1c[nH]c[nH+]1 ZINC001144594121 781460555 /nfs/dbraw/zinc/46/05/55/781460555.db2.gz DWMJKULOYQQHDL-SECBINFHSA-N 1 2 290.345 -1.502 20 0 CAADLO NS(=O)(=O)CCCC(=O)N[C@@H](CO)Cc1c[nH+]c[nH]1 ZINC001144594121 781460562 /nfs/dbraw/zinc/46/05/62/781460562.db2.gz DWMJKULOYQQHDL-SECBINFHSA-N 1 2 290.345 -1.502 20 0 CAADLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)[C@H]1C[C@H]1C(N)=O ZINC001144613101 781460599 /nfs/dbraw/zinc/46/05/99/781460599.db2.gz NLEPNWFGUKGKTL-MXWKQRLJSA-N 1 2 268.361 -1.140 20 0 CAADLO COC(=O)[C@@H]1C[C@H]([N@@H+]2CC[C@@H](O)[C@](C)(CO)C2)CN1 ZINC001246590260 781463710 /nfs/dbraw/zinc/46/37/10/781463710.db2.gz JBKUQWRTMXAVHT-KQXIARHKSA-N 1 2 272.345 -1.045 20 0 CAADLO COC(=O)[C@@H]1C[C@H]([N@H+]2CC[C@@H](O)[C@](C)(CO)C2)CN1 ZINC001246590260 781463713 /nfs/dbraw/zinc/46/37/13/781463713.db2.gz JBKUQWRTMXAVHT-KQXIARHKSA-N 1 2 272.345 -1.045 20 0 CAADLO COC(=O)[C@@H]1C[C@H]([N@@H+]2CCOC[C@@](C)(O)C2)CN1 ZINC001246592864 781464424 /nfs/dbraw/zinc/46/44/24/781464424.db2.gz QUOWGBWJFQQICK-NHCYSSNCSA-N 1 2 258.318 -1.027 20 0 CAADLO COC(=O)[C@@H]1C[C@H]([N@H+]2CCOC[C@@](C)(O)C2)CN1 ZINC001246592864 781464429 /nfs/dbraw/zinc/46/44/29/781464429.db2.gz QUOWGBWJFQQICK-NHCYSSNCSA-N 1 2 258.318 -1.027 20 0 CAADLO COC(=O)[C@@H]1C[C@H]([N@@H+]2CC[C@H](O)[C@](C)(CO)C2)CN1 ZINC001246590294 781464658 /nfs/dbraw/zinc/46/46/58/781464658.db2.gz JBKUQWRTMXAVHT-ZPFDUUQYSA-N 1 2 272.345 -1.045 20 0 CAADLO COC(=O)[C@@H]1C[C@H]([N@H+]2CC[C@H](O)[C@](C)(CO)C2)CN1 ZINC001246590294 781464663 /nfs/dbraw/zinc/46/46/63/781464663.db2.gz JBKUQWRTMXAVHT-ZPFDUUQYSA-N 1 2 272.345 -1.045 20 0 CAADLO COC[C@H](C)C(=O)NC[C@H]1C[N@H+](CC(N)=O)CCCO1 ZINC001149391705 781477175 /nfs/dbraw/zinc/47/71/75/781477175.db2.gz POICKHVIKSUFJY-QWRGUYRKSA-N 1 2 287.360 -1.039 20 0 CAADLO COC[C@H](C)C(=O)NC[C@H]1C[N@@H+](CC(N)=O)CCCO1 ZINC001149391705 781477180 /nfs/dbraw/zinc/47/71/80/781477180.db2.gz POICKHVIKSUFJY-QWRGUYRKSA-N 1 2 287.360 -1.039 20 0 CAADLO CNC(=O)NCCC(=O)N[C@@H](CO)c1c[nH+]cn1C ZINC001149212897 781477276 /nfs/dbraw/zinc/47/72/76/781477276.db2.gz FKRDVLOTMRKGSX-QMMMGPOBSA-N 1 2 269.305 -1.111 20 0 CAADLO COC[C@@H](C)C(=O)NC[C@@H]1C[N@H+](CC(N)=O)CCCO1 ZINC001149391703 781477370 /nfs/dbraw/zinc/47/73/70/781477370.db2.gz POICKHVIKSUFJY-GHMZBOCLSA-N 1 2 287.360 -1.039 20 0 CAADLO COC[C@@H](C)C(=O)NC[C@@H]1C[N@@H+](CC(N)=O)CCCO1 ZINC001149391703 781477375 /nfs/dbraw/zinc/47/73/75/781477375.db2.gz POICKHVIKSUFJY-GHMZBOCLSA-N 1 2 287.360 -1.039 20 0 CAADLO CNC(=O)NCCC(=O)N[C@H](CO)c1c[nH+]cn1C ZINC001149212896 781477476 /nfs/dbraw/zinc/47/74/76/781477476.db2.gz FKRDVLOTMRKGSX-MRVPVSSYSA-N 1 2 269.305 -1.111 20 0 CAADLO COC(=O)[C@H](CCC(=O)NC1C[NH+](C)C1)NC(C)=O ZINC001144964254 781478448 /nfs/dbraw/zinc/47/84/48/781478448.db2.gz VSJUQOUDPFNTKV-JTQLQIEISA-N 1 2 271.317 -1.126 20 0 CAADLO O=C(Cc1c[nH]c[nH+]1)NCCN1C(=O)CNC1=O ZINC001144966766 781478893 /nfs/dbraw/zinc/47/88/93/781478893.db2.gz JRORNOJRHQRVMZ-UHFFFAOYSA-N 1 2 251.246 -1.380 20 0 CAADLO CN1CC[N@H+](C)[C@@H](CNC(=O)C[C@@H]2CC(=O)N2)C1 ZINC001146377447 781483733 /nfs/dbraw/zinc/48/37/33/781483733.db2.gz YSKVYOJWQNYFLF-ZJUUUORDSA-N 1 2 254.334 -1.373 20 0 CAADLO CN1CC[N@@H+](C)[C@@H](CNC(=O)C[C@@H]2CC(=O)N2)C1 ZINC001146377447 781483734 /nfs/dbraw/zinc/48/37/34/781483734.db2.gz YSKVYOJWQNYFLF-ZJUUUORDSA-N 1 2 254.334 -1.373 20 0 CAADLO Cc1cnoc1C(=O)NCC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001146494350 781485769 /nfs/dbraw/zinc/48/57/69/781485769.db2.gz KGKMLYHJLMWVGZ-UHFFFAOYSA-N 1 2 280.288 -1.076 20 0 CAADLO Cn1cc[nH+]c1CCNC(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1 ZINC001146631420 781489098 /nfs/dbraw/zinc/48/90/98/781489098.db2.gz DYTVKEGMNCEMPU-CKYFFXLPSA-N 1 2 281.312 -1.508 20 0 CAADLO Cn1[nH]c(C[NH2+]CCNC(=O)[C@H]2C[C@@]23CCOC3)nc1=O ZINC001147004139 781497259 /nfs/dbraw/zinc/49/72/59/781497259.db2.gz SXULQQCVTDDIEX-NOZJJQNGSA-N 1 2 295.343 -1.259 20 0 CAADLO C[C@@H]1CCN(C(=O)C(=O)NCC[NH2+]Cc2nnnn2C)C1 ZINC001147167966 781502075 /nfs/dbraw/zinc/50/20/75/781502075.db2.gz OVGNWHDBPJWWOF-SECBINFHSA-N 1 2 295.347 -1.716 20 0 CAADLO C[C@H]1CCN(C(=O)C(=O)NCC[NH2+]Cc2nncn2C)C1 ZINC001147167943 781502857 /nfs/dbraw/zinc/50/28/57/781502857.db2.gz ODJVVAAAPOJZRW-JTQLQIEISA-N 1 2 294.359 -1.111 20 0 CAADLO C[C@@H]1CCN(C(=O)C(=O)NCC[NH2+]Cc2ncnn2C)C1 ZINC001147173486 781503250 /nfs/dbraw/zinc/50/32/50/781503250.db2.gz CEYVOURMMGLGDB-SNVBAGLBSA-N 1 2 294.359 -1.111 20 0 CAADLO C[C@H]1CCN(C(=O)C(=O)NCC[NH2+]Cc2cnn(C)n2)C1 ZINC001147176703 781503876 /nfs/dbraw/zinc/50/38/76/781503876.db2.gz TUOHXRUIPONYSY-JTQLQIEISA-N 1 2 294.359 -1.111 20 0 CAADLO C[C@@H]1CCN(C(=O)C(=O)NCC[NH2+]Cc2cn(C)nn2)C1 ZINC001147177179 781503972 /nfs/dbraw/zinc/50/39/72/781503972.db2.gz ZNUPURQZHZSMLP-SNVBAGLBSA-N 1 2 294.359 -1.111 20 0 CAADLO C[C@H]([NH2+]CCNC(=O)Cc1nc[nH]n1)c1nnnn1C ZINC001147263939 781505393 /nfs/dbraw/zinc/50/53/93/781505393.db2.gz BQAIUTUZAOSUID-ZETCQYMHSA-N 1 2 279.308 -1.662 20 0 CAADLO Cn1ncc(C[NH2+]CCNC(=O)Cc2nc[nH]n2)n1 ZINC001147264594 781506129 /nfs/dbraw/zinc/50/61/29/781506129.db2.gz LHWSQDJCYWSGHX-UHFFFAOYSA-N 1 2 264.293 -1.618 20 0 CAADLO O=C(Cc1nc[nH]n1)NCC[NH2+]Cc1cnon1 ZINC001147265287 781506654 /nfs/dbraw/zinc/50/66/54/781506654.db2.gz YEVOUMBYEKRORL-UHFFFAOYSA-N 1 2 251.250 -1.364 20 0 CAADLO Cn1ccc(C[NH2+]CCNC(=O)Cc2nnc[nH]2)n1 ZINC001147277853 781507466 /nfs/dbraw/zinc/50/74/66/781507466.db2.gz OAKPNYBEMDNCDT-UHFFFAOYSA-N 1 2 263.305 -1.013 20 0 CAADLO CCn1ncc(C[NH2+]CCNC(=O)Cc2nc[nH]n2)n1 ZINC001147277828 781507557 /nfs/dbraw/zinc/50/75/57/781507557.db2.gz NBXUIILTIDHVRE-UHFFFAOYSA-N 1 2 278.320 -1.135 20 0 CAADLO Cc1nnc(C[NH2+]CCNC(=O)Cc2nc[nH]n2)o1 ZINC001147277882 781508106 /nfs/dbraw/zinc/50/81/06/781508106.db2.gz PCARCWCTIBNLPE-UHFFFAOYSA-N 1 2 265.277 -1.055 20 0 CAADLO Cn1c[nH+]cc1CC(=O)N1C[C@H](O)C[C@H]1C(N)=O ZINC001147377715 781510203 /nfs/dbraw/zinc/51/02/03/781510203.db2.gz NZEHTYIQTVLCCC-BDAKNGLRSA-N 1 2 252.274 -1.590 20 0 CAADLO C[C@@H](CNC(=O)[C@@H](CO)NC(N)=O)Cn1cc[nH+]c1 ZINC001147456393 781512043 /nfs/dbraw/zinc/51/20/43/781512043.db2.gz PMBRSYNWOVZDIS-DTWKUNHWSA-N 1 2 269.305 -1.335 20 0 CAADLO C[C@@H](CNC(=O)[C@H](CO)NC(N)=O)Cn1cc[nH+]c1 ZINC001147456394 781512118 /nfs/dbraw/zinc/51/21/18/781512118.db2.gz PMBRSYNWOVZDIS-IUCAKERBSA-N 1 2 269.305 -1.335 20 0 CAADLO CN(C)S(=O)(=O)CC(=O)NCC[NH2+]Cc1cnon1 ZINC001149432010 781513187 /nfs/dbraw/zinc/51/31/87/781513187.db2.gz FYERRDPGCOVPTG-UHFFFAOYSA-N 1 2 291.333 -1.833 20 0 CAADLO COC(=O)[C@@H]1C[N@H+](C)CCN1C(=O)c1c[nH]c(=O)cn1 ZINC001147622453 781514108 /nfs/dbraw/zinc/51/41/08/781514108.db2.gz OTMYHQZPNBJYCW-VIFPVBQESA-N 1 2 280.284 -1.301 20 0 CAADLO COC(=O)[C@@H]1C[N@@H+](C)CCN1C(=O)c1c[nH]c(=O)cn1 ZINC001147622453 781514113 /nfs/dbraw/zinc/51/41/13/781514113.db2.gz OTMYHQZPNBJYCW-VIFPVBQESA-N 1 2 280.284 -1.301 20 0 CAADLO C[N@@H+]1CCO[C@@H](CNC(=O)c2c[nH]c(=O)cn2)C1 ZINC001147629343 781514207 /nfs/dbraw/zinc/51/42/07/781514207.db2.gz GCRKOUQSNAQVJM-QMMMGPOBSA-N 1 2 252.274 -1.170 20 0 CAADLO C[N@H+]1CCO[C@@H](CNC(=O)c2c[nH]c(=O)cn2)C1 ZINC001147629343 781514214 /nfs/dbraw/zinc/51/42/14/781514214.db2.gz GCRKOUQSNAQVJM-QMMMGPOBSA-N 1 2 252.274 -1.170 20 0 CAADLO CN1C(=O)CN(CC(=O)NCC[NH2+]Cc2cnon2)C1=O ZINC001147644807 781515951 /nfs/dbraw/zinc/51/59/51/781515951.db2.gz OTCCKZXRRLMIEP-UHFFFAOYSA-N 1 2 296.287 -1.831 20 0 CAADLO CNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCc2nn[nH]c2C1 ZINC001147687369 781517255 /nfs/dbraw/zinc/51/72/55/781517255.db2.gz DWKGYRHMHWEVIN-MRVPVSSYSA-N 1 2 280.332 -1.639 20 0 CAADLO Cc1cc(=O)c(C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@@H]32)c[nH]1 ZINC001147648790 781517608 /nfs/dbraw/zinc/51/76/08/781517608.db2.gz ILOFOQRSOPBLKK-OUAUKWLOSA-N 1 2 278.316 -2.184 20 0 CAADLO CN(C)C(=O)C[NH2+]CCNC(=O)[C@H]1CCc2nn[nH]c2C1 ZINC001147688356 781517726 /nfs/dbraw/zinc/51/77/26/781517726.db2.gz LCRUUGVKIYTUDY-VIFPVBQESA-N 1 2 294.359 -1.296 20 0 CAADLO CC(C)(C(N)=O)C(=O)N[C@H]1CC[N@H+](CC(N)=O)C[C@H]1O ZINC001099888695 781520199 /nfs/dbraw/zinc/52/01/99/781520199.db2.gz YTHVPIOARGHVAA-JGVFFNPUSA-N 1 2 286.332 -2.465 20 0 CAADLO CC(C)(C(N)=O)C(=O)N[C@H]1CC[N@@H+](CC(N)=O)C[C@H]1O ZINC001099888695 781520203 /nfs/dbraw/zinc/52/02/03/781520203.db2.gz YTHVPIOARGHVAA-JGVFFNPUSA-N 1 2 286.332 -2.465 20 0 CAADLO Cn1cncc1CC(=O)NCC[NH2+]Cc1nnnn1C ZINC001147900315 781525089 /nfs/dbraw/zinc/52/50/89/781525089.db2.gz MEGNOAPYIZFFNA-UHFFFAOYSA-N 1 2 278.320 -1.608 20 0 CAADLO CCOC(=O)[C@H]1COCCN1C(=O)[C@@H]([NH3+])Cc1nn[nH]n1 ZINC001161093644 781526474 /nfs/dbraw/zinc/52/64/74/781526474.db2.gz UKZPKYGCLJTVBM-JGVFFNPUSA-N 1 2 298.303 -2.140 20 0 CAADLO Cc1nnc(C[NH2+]CCNC(=O)[C@@H]2CCC(=O)N2)o1 ZINC001148417646 781533241 /nfs/dbraw/zinc/53/32/41/781533241.db2.gz FTZLUFQLVRZZTL-QMMMGPOBSA-N 1 2 267.289 -1.138 20 0 CAADLO NC(=O)C[N@@H+]1CCCO[C@@H](CNC(=O)C(F)F)C1 ZINC001148994349 781540575 /nfs/dbraw/zinc/54/05/75/781540575.db2.gz FPDRIBMWUXIPIN-ZETCQYMHSA-N 1 2 265.260 -1.056 20 0 CAADLO NC(=O)C[N@H+]1CCCO[C@@H](CNC(=O)C(F)F)C1 ZINC001148994349 781540578 /nfs/dbraw/zinc/54/05/78/781540578.db2.gz FPDRIBMWUXIPIN-ZETCQYMHSA-N 1 2 265.260 -1.056 20 0 CAADLO CNC(=O)NC(=O)C[N@@H+]1CCCO[C@H](CNC(C)=O)C1 ZINC001148962545 781540748 /nfs/dbraw/zinc/54/07/48/781540748.db2.gz SQQZNUWRNAGCPI-SNVBAGLBSA-N 1 2 286.332 -1.331 20 0 CAADLO CNC(=O)NC(=O)C[N@H+]1CCCO[C@H](CNC(C)=O)C1 ZINC001148962545 781540755 /nfs/dbraw/zinc/54/07/55/781540755.db2.gz SQQZNUWRNAGCPI-SNVBAGLBSA-N 1 2 286.332 -1.331 20 0 CAADLO NC(=O)C[N@@H+]1CCCO[C@H](CNC(=O)C(F)F)C1 ZINC001148994348 781540969 /nfs/dbraw/zinc/54/09/69/781540969.db2.gz FPDRIBMWUXIPIN-SSDOTTSWSA-N 1 2 265.260 -1.056 20 0 CAADLO NC(=O)C[N@H+]1CCCO[C@H](CNC(=O)C(F)F)C1 ZINC001148994348 781540977 /nfs/dbraw/zinc/54/09/77/781540977.db2.gz FPDRIBMWUXIPIN-SSDOTTSWSA-N 1 2 265.260 -1.056 20 0 CAADLO O=C(Cc1nc2ncccn2n1)N1CC[NH+](CCO)CC1 ZINC000192514724 781541858 /nfs/dbraw/zinc/54/18/58/781541858.db2.gz IPKHJNUTPIEFED-UHFFFAOYSA-N 1 2 290.327 -1.197 20 0 CAADLO COCCC(=O)NC[C@@H]1C[N@@H+](CC(N)=O)CCCO1 ZINC001148970483 781542918 /nfs/dbraw/zinc/54/29/18/781542918.db2.gz ZKGKFCWJTKLNOI-SNVBAGLBSA-N 1 2 273.333 -1.285 20 0 CAADLO COCCC(=O)NC[C@@H]1C[N@H+](CC(N)=O)CCCO1 ZINC001148970483 781542912 /nfs/dbraw/zinc/54/29/12/781542912.db2.gz ZKGKFCWJTKLNOI-SNVBAGLBSA-N 1 2 273.333 -1.285 20 0 CAADLO Cn1cnnc1C[N@@H+]1C[C@@H]2CN(C(=O)C(N)=O)C[C@]2(C)C1 ZINC001091968468 781544364 /nfs/dbraw/zinc/54/43/64/781544364.db2.gz UGBPGEIGVUFVRH-RNCFNFMXSA-N 1 2 292.343 -1.419 20 0 CAADLO Cn1cnnc1C[N@H+]1C[C@@H]2CN(C(=O)C(N)=O)C[C@]2(C)C1 ZINC001091968468 781544372 /nfs/dbraw/zinc/54/43/72/781544372.db2.gz UGBPGEIGVUFVRH-RNCFNFMXSA-N 1 2 292.343 -1.419 20 0 CAADLO Cc1nnc(C[N@@H+]2C[C@@H]3CN(C(=O)C(N)=O)C[C@]3(C)C2)[nH]1 ZINC001091971104 781544819 /nfs/dbraw/zinc/54/48/19/781544819.db2.gz PKDRFSBISVCNQY-RNCFNFMXSA-N 1 2 292.343 -1.121 20 0 CAADLO Cc1nnc(C[N@H+]2C[C@@H]3CN(C(=O)C(N)=O)C[C@]3(C)C2)[nH]1 ZINC001091971104 781544824 /nfs/dbraw/zinc/54/48/24/781544824.db2.gz PKDRFSBISVCNQY-RNCFNFMXSA-N 1 2 292.343 -1.121 20 0 CAADLO COCC(C)(C)C(=O)N[C@H]1CC[N@H+](CC(N)=O)C[C@H]1O ZINC001099918880 781546787 /nfs/dbraw/zinc/54/67/87/781546787.db2.gz RZEZGGOXRXKMDP-VHSXEESVSA-N 1 2 287.360 -1.304 20 0 CAADLO COCC(C)(C)C(=O)N[C@H]1CC[N@@H+](CC(N)=O)C[C@H]1O ZINC001099918880 781546790 /nfs/dbraw/zinc/54/67/90/781546790.db2.gz RZEZGGOXRXKMDP-VHSXEESVSA-N 1 2 287.360 -1.304 20 0 CAADLO COCC(C)(C)C(=O)N[C@H]1CC[N@H+](CC(N)=O)C[C@@H]1O ZINC001099918879 781547895 /nfs/dbraw/zinc/54/78/95/781547895.db2.gz RZEZGGOXRXKMDP-UWVGGRQHSA-N 1 2 287.360 -1.304 20 0 CAADLO COCC(C)(C)C(=O)N[C@H]1CC[N@@H+](CC(N)=O)C[C@@H]1O ZINC001099918879 781547898 /nfs/dbraw/zinc/54/78/98/781547898.db2.gz RZEZGGOXRXKMDP-UWVGGRQHSA-N 1 2 287.360 -1.304 20 0 CAADLO COCC(C)(C)C(=O)N[C@@H]1CC[N@H+](CC(N)=O)C[C@H]1O ZINC001099918878 781548098 /nfs/dbraw/zinc/54/80/98/781548098.db2.gz RZEZGGOXRXKMDP-NXEZZACHSA-N 1 2 287.360 -1.304 20 0 CAADLO COCC(C)(C)C(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C[C@H]1O ZINC001099918878 781548101 /nfs/dbraw/zinc/54/81/01/781548101.db2.gz RZEZGGOXRXKMDP-NXEZZACHSA-N 1 2 287.360 -1.304 20 0 CAADLO COCC1(C(=O)N[C@H]2CC[N@H+](CC(N)=O)C[C@@H]2O)CC1 ZINC001099921066 781548944 /nfs/dbraw/zinc/54/89/44/781548944.db2.gz JTPYHLBKTQTXAX-UWVGGRQHSA-N 1 2 285.344 -1.550 20 0 CAADLO COCC1(C(=O)N[C@H]2CC[N@@H+](CC(N)=O)C[C@@H]2O)CC1 ZINC001099921066 781548950 /nfs/dbraw/zinc/54/89/50/781548950.db2.gz JTPYHLBKTQTXAX-UWVGGRQHSA-N 1 2 285.344 -1.550 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1C[C@@H](CNC(=O)c2nc[nH]n2)[C@H](C)C1 ZINC001093063884 781549024 /nfs/dbraw/zinc/54/90/24/781549024.db2.gz BAOVQMHACJZDCO-IWSPIJDZSA-N 1 2 280.332 -1.024 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1C[C@@H](CNC(=O)c2nc[nH]n2)[C@H](C)C1 ZINC001093063884 781549033 /nfs/dbraw/zinc/54/90/33/781549033.db2.gz BAOVQMHACJZDCO-IWSPIJDZSA-N 1 2 280.332 -1.024 20 0 CAADLO CNC(=O)C[N@H+]1C[C@@H](CNC(=O)c2nc[nH]n2)[C@H](C)C1 ZINC001093064713 781549099 /nfs/dbraw/zinc/54/90/99/781549099.db2.gz WZHORRQIWXBGPO-RKDXNWHRSA-N 1 2 280.332 -1.152 20 0 CAADLO CNC(=O)C[N@@H+]1C[C@@H](CNC(=O)c2nc[nH]n2)[C@H](C)C1 ZINC001093064713 781549103 /nfs/dbraw/zinc/54/91/03/781549103.db2.gz WZHORRQIWXBGPO-RKDXNWHRSA-N 1 2 280.332 -1.152 20 0 CAADLO COCC1(C(=O)N[C@@H]2CC[N@H+](CC(N)=O)C[C@H]2O)CC1 ZINC001099921065 781549491 /nfs/dbraw/zinc/54/94/91/781549491.db2.gz JTPYHLBKTQTXAX-NXEZZACHSA-N 1 2 285.344 -1.550 20 0 CAADLO COCC1(C(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C[C@H]2O)CC1 ZINC001099921065 781549496 /nfs/dbraw/zinc/54/94/96/781549496.db2.gz JTPYHLBKTQTXAX-NXEZZACHSA-N 1 2 285.344 -1.550 20 0 CAADLO C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1CNC(=O)C1=NC(=O)N(C)C1 ZINC001092937916 781550386 /nfs/dbraw/zinc/55/03/86/781550386.db2.gz ZTGCAAPDZKCWCK-RKDXNWHRSA-N 1 2 295.343 -1.091 20 0 CAADLO C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1CNC(=O)C1=NC(=O)N(C)C1 ZINC001092937916 781550392 /nfs/dbraw/zinc/55/03/92/781550392.db2.gz ZTGCAAPDZKCWCK-RKDXNWHRSA-N 1 2 295.343 -1.091 20 0 CAADLO C[N@@H+]1CCc2ncnc(NCCNC(=O)CC(N)=O)c2C1 ZINC001093538541 781557361 /nfs/dbraw/zinc/55/73/61/781557361.db2.gz KPNAMDTWEWSFLD-UHFFFAOYSA-N 1 2 292.343 -1.132 20 0 CAADLO C[N@H+]1CCc2ncnc(NCCNC(=O)CC(N)=O)c2C1 ZINC001093538541 781557369 /nfs/dbraw/zinc/55/73/69/781557369.db2.gz KPNAMDTWEWSFLD-UHFFFAOYSA-N 1 2 292.343 -1.132 20 0 CAADLO NC(=O)C(=O)N1CCC(OC2C[NH+](CCO)C2)CC1 ZINC001093567374 781558040 /nfs/dbraw/zinc/55/80/40/781558040.db2.gz MHQFLHIFEPZGSK-UHFFFAOYSA-N 1 2 271.317 -1.844 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H]2CN(C(=O)Cc3ncn[nH]3)CC[C@@H]21 ZINC001036865536 781559523 /nfs/dbraw/zinc/55/95/23/781559523.db2.gz OVCAZWIJAUCTSA-UWVGGRQHSA-N 1 2 292.343 -1.245 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H]2CN(C(=O)Cc3ncn[nH]3)CC[C@@H]21 ZINC001036865536 781559531 /nfs/dbraw/zinc/55/95/31/781559531.db2.gz OVCAZWIJAUCTSA-UWVGGRQHSA-N 1 2 292.343 -1.245 20 0 CAADLO Cc1nc(NCCNC(=O)Cn2ncn(C)c2=O)cc[nH+]1 ZINC001093963782 781562071 /nfs/dbraw/zinc/56/20/71/781562071.db2.gz UYXREPBLOVNTBU-UHFFFAOYSA-N 1 2 291.315 -1.091 20 0 CAADLO Cc1nc(NCCNC(=O)CN2CCNC(=O)C2)cc[nH+]1 ZINC001094056847 781562097 /nfs/dbraw/zinc/56/20/97/781562097.db2.gz APMJIMTUPDOOGU-UHFFFAOYSA-N 1 2 292.343 -1.255 20 0 CAADLO Cn1ncc2c1nc[nH+]c2NCCNC(=O)C(N)=O ZINC001094079350 781562145 /nfs/dbraw/zinc/56/21/45/781562145.db2.gz CKKUPPDVAFJWAJ-UHFFFAOYSA-N 1 2 263.261 -1.623 20 0 CAADLO Cc1nc(NCCNC(=O)[C@@H]2CNC(=O)N2)cc[nH+]1 ZINC001094104713 781563080 /nfs/dbraw/zinc/56/30/80/781563080.db2.gz RPTTZIJXDNCKJU-QMMMGPOBSA-N 1 2 264.289 -1.005 20 0 CAADLO O=C(N[C@H]1CC(=O)N(C2C[NH+](CCO)C2)C1)c1ccn[nH]1 ZINC001094710211 781566638 /nfs/dbraw/zinc/56/66/38/781566638.db2.gz RPODJMJMVMTOMN-VIFPVBQESA-N 1 2 293.327 -1.583 20 0 CAADLO O=C(N[C@H]1CC(=O)N(C2C[NH+](CCO)C2)C1)c1ccon1 ZINC001094709417 781567207 /nfs/dbraw/zinc/56/72/07/781567207.db2.gz KVDZVGWMTSYPLL-VIFPVBQESA-N 1 2 294.311 -1.318 20 0 CAADLO O=C(N[C@@H]1CC(=O)N(C2C[NH+](CCO)C2)C1)c1cn[nH]c1 ZINC001094707506 781567235 /nfs/dbraw/zinc/56/72/35/781567235.db2.gz MRAFCCYPCNHZSB-SNVBAGLBSA-N 1 2 293.327 -1.583 20 0 CAADLO O=C(N[C@H]1CC(=O)N(C2C[NH+](CCO)C2)C1)c1cocn1 ZINC001094716101 781567315 /nfs/dbraw/zinc/56/73/15/781567315.db2.gz VTMOQGJRDIZRPZ-VIFPVBQESA-N 1 2 294.311 -1.318 20 0 CAADLO Cc1nc(N(C)C)nc(NCCCNC(=O)C(N)=O)[nH+]1 ZINC001094742200 781568073 /nfs/dbraw/zinc/56/80/73/781568073.db2.gz PNIIBSAVZFZCFV-UHFFFAOYSA-N 1 2 281.320 -1.350 20 0 CAADLO O=C(N[C@@H]1CC(=O)N(C2C[NH+](CCO)C2)C1)C(F)F ZINC001094693501 781568464 /nfs/dbraw/zinc/56/84/64/781568464.db2.gz XFXZJZSMLRNEPL-SSDOTTSWSA-N 1 2 277.271 -1.355 20 0 CAADLO CC[NH+]1CC(N2C[C@H](NC(=O)c3nnc[nH]3)CC2=O)C1 ZINC001094797875 781568936 /nfs/dbraw/zinc/56/89/36/781568936.db2.gz RFHZNFGPUAFIRX-MRVPVSSYSA-N 1 2 278.316 -1.161 20 0 CAADLO NC(=O)C(=O)N[C@H]1CC(=O)N(C2C[NH+](CCO)C2)C1 ZINC001094780290 781569887 /nfs/dbraw/zinc/56/98/87/781569887.db2.gz XLCONJYRLZOCQP-ZETCQYMHSA-N 1 2 270.289 -3.135 20 0 CAADLO NC(=O)[C@]1([NH2+]CC(=O)Nc2ccncc2)CCOC1 ZINC001171572886 781570569 /nfs/dbraw/zinc/57/05/69/781570569.db2.gz MKXVUEUIMYMYPP-LBPRGKRZSA-N 1 2 264.285 -1.324 20 0 CAADLO CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cnco2)[C@@H](O)C1 ZINC001099937389 781574830 /nfs/dbraw/zinc/57/48/30/781574830.db2.gz KRRBTDQOVUKFMK-UWVGGRQHSA-N 1 2 296.327 -1.024 20 0 CAADLO CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cnco2)[C@@H](O)C1 ZINC001099937389 781574833 /nfs/dbraw/zinc/57/48/33/781574833.db2.gz KRRBTDQOVUKFMK-UWVGGRQHSA-N 1 2 296.327 -1.024 20 0 CAADLO CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cnco2)[C@H](O)C1 ZINC001099937388 781574866 /nfs/dbraw/zinc/57/48/66/781574866.db2.gz KRRBTDQOVUKFMK-NXEZZACHSA-N 1 2 296.327 -1.024 20 0 CAADLO CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cnco2)[C@H](O)C1 ZINC001099937388 781574869 /nfs/dbraw/zinc/57/48/69/781574869.db2.gz KRRBTDQOVUKFMK-NXEZZACHSA-N 1 2 296.327 -1.024 20 0 CAADLO NC(=O)CN1CC[C@H](NC(=O)CCn2cc[nH+]c2)[C@@H](O)C1 ZINC001099939767 781575809 /nfs/dbraw/zinc/57/58/09/781575809.db2.gz LKROSNCWKFNAIC-QWRGUYRKSA-N 1 2 295.343 -1.690 20 0 CAADLO NC(=O)CN1CC[C@H](NC(=O)CCn2cc[nH+]c2)[C@H](O)C1 ZINC001099939768 781575873 /nfs/dbraw/zinc/57/58/73/781575873.db2.gz LKROSNCWKFNAIC-WDEREUQCSA-N 1 2 295.343 -1.690 20 0 CAADLO NC(=O)C[N@@H+]1CCCO[C@@H](CNC(=O)Cc2cnoc2)C1 ZINC001150186679 781580057 /nfs/dbraw/zinc/58/00/57/781580057.db2.gz SNZHNIDLBLLIKC-NSHDSACASA-N 1 2 296.327 -1.091 20 0 CAADLO NC(=O)C[N@H+]1CCCO[C@@H](CNC(=O)Cc2cnoc2)C1 ZINC001150186679 781580068 /nfs/dbraw/zinc/58/00/68/781580068.db2.gz SNZHNIDLBLLIKC-NSHDSACASA-N 1 2 296.327 -1.091 20 0 CAADLO O=C(Cn1cncn1)NCC[NH2+]Cc1ncccn1 ZINC001150262238 781583102 /nfs/dbraw/zinc/58/31/02/781583102.db2.gz UYIJNWSNSRIEKC-UHFFFAOYSA-N 1 2 261.289 -1.026 20 0 CAADLO O=C(N[C@H](CO)Cc1c[nH]c[nH+]1)[C@@H]1CCC(=O)N1 ZINC001174950318 781585806 /nfs/dbraw/zinc/58/58/06/781585806.db2.gz OMGPSKZOHQSGKB-IUCAKERBSA-N 1 2 252.274 -1.292 20 0 CAADLO O=C(N[C@H](CO)Cc1c[nH+]c[nH]1)[C@@H]1CCC(=O)N1 ZINC001174950318 781585814 /nfs/dbraw/zinc/58/58/14/781585814.db2.gz OMGPSKZOHQSGKB-IUCAKERBSA-N 1 2 252.274 -1.292 20 0 CAADLO C[C@H](CC(N)=O)C(=O)N[C@H](CO)Cc1c[nH]c[nH+]1 ZINC001174950866 781587020 /nfs/dbraw/zinc/58/70/20/781587020.db2.gz UFCDOESIKLSBLO-APPZFPTMSA-N 1 2 254.290 -1.059 20 0 CAADLO C[C@H](CC(N)=O)C(=O)N[C@H](CO)Cc1c[nH+]c[nH]1 ZINC001174950866 781587027 /nfs/dbraw/zinc/58/70/27/781587027.db2.gz UFCDOESIKLSBLO-APPZFPTMSA-N 1 2 254.290 -1.059 20 0 CAADLO Cn1[nH]c(C[N@@H+]2CCC[C@@H](CO)[C@H]2CO)nc1=O ZINC001174993528 781587731 /nfs/dbraw/zinc/58/77/31/781587731.db2.gz LWPCMBTUVYGGFS-DTWKUNHWSA-N 1 2 256.306 -1.326 20 0 CAADLO Cn1[nH]c(C[N@H+]2CCC[C@@H](CO)[C@H]2CO)nc1=O ZINC001174993528 781587740 /nfs/dbraw/zinc/58/77/40/781587740.db2.gz LWPCMBTUVYGGFS-DTWKUNHWSA-N 1 2 256.306 -1.326 20 0 CAADLO CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)NCCON ZINC001176380267 781599835 /nfs/dbraw/zinc/59/98/35/781599835.db2.gz OKVPMLKOBAKWBZ-SECBINFHSA-N 1 2 255.278 -1.537 20 0 CAADLO CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)NCCON ZINC001176380267 781599844 /nfs/dbraw/zinc/59/98/44/781599844.db2.gz OKVPMLKOBAKWBZ-SECBINFHSA-N 1 2 255.278 -1.537 20 0 CAADLO CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H](CO)C(N)=O ZINC001176379569 781599934 /nfs/dbraw/zinc/59/99/34/781599934.db2.gz DEODQFDDMFDJPM-RKDXNWHRSA-N 1 2 283.288 -2.581 20 0 CAADLO CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H](CO)C(N)=O ZINC001176379569 781599944 /nfs/dbraw/zinc/59/99/44/781599944.db2.gz DEODQFDDMFDJPM-RKDXNWHRSA-N 1 2 283.288 -2.581 20 0 CAADLO CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)NC1CN(C(C)=O)C1 ZINC001176385303 781600131 /nfs/dbraw/zinc/60/01/31/781600131.db2.gz NCXSBERACRNVMC-GFCCVEGCSA-N 1 2 293.327 -1.196 20 0 CAADLO CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)NC1CN(C(C)=O)C1 ZINC001176385303 781600139 /nfs/dbraw/zinc/60/01/39/781600139.db2.gz NCXSBERACRNVMC-GFCCVEGCSA-N 1 2 293.327 -1.196 20 0 CAADLO CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1COCC[C@@H]1O ZINC001176379763 781600311 /nfs/dbraw/zinc/60/03/11/781600311.db2.gz IBMBDKAHBBJQGR-WOPDTQHZSA-N 1 2 296.327 -1.277 20 0 CAADLO CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1COCC[C@@H]1O ZINC001176379763 781600320 /nfs/dbraw/zinc/60/03/20/781600320.db2.gz IBMBDKAHBBJQGR-WOPDTQHZSA-N 1 2 296.327 -1.277 20 0 CAADLO CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)NC1(C(N)=O)CC1 ZINC001176381065 781600413 /nfs/dbraw/zinc/60/04/13/781600413.db2.gz WBESNYHQFHJCGF-SECBINFHSA-N 1 2 279.300 -1.409 20 0 CAADLO CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)NC1(C(N)=O)CC1 ZINC001176381065 781600418 /nfs/dbraw/zinc/60/04/18/781600418.db2.gz WBESNYHQFHJCGF-SECBINFHSA-N 1 2 279.300 -1.409 20 0 CAADLO CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)NCCC(N)=O ZINC001176379902 781600478 /nfs/dbraw/zinc/60/04/78/781600478.db2.gz JYBABIHDXOGPIX-SECBINFHSA-N 1 2 267.289 -1.552 20 0 CAADLO CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)NCCC(N)=O ZINC001176379902 781600483 /nfs/dbraw/zinc/60/04/83/781600483.db2.gz JYBABIHDXOGPIX-SECBINFHSA-N 1 2 267.289 -1.552 20 0 CAADLO CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@H]1CNC(=O)C1 ZINC001176379757 781600773 /nfs/dbraw/zinc/60/07/73/781600773.db2.gz HWTAPZRNDLKORH-MWLCHTKSSA-N 1 2 293.327 -1.291 20 0 CAADLO CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@H]1CNC(=O)C1 ZINC001176379757 781600780 /nfs/dbraw/zinc/60/07/80/781600780.db2.gz HWTAPZRNDLKORH-MWLCHTKSSA-N 1 2 293.327 -1.291 20 0 CAADLO CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1COC(=O)C1 ZINC001176379779 781601381 /nfs/dbraw/zinc/60/13/81/781601381.db2.gz IMLSPOAZXRFKIV-NXEZZACHSA-N 1 2 280.284 -1.111 20 0 CAADLO CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1COC(=O)C1 ZINC001176379779 781601389 /nfs/dbraw/zinc/60/13/89/781601389.db2.gz IMLSPOAZXRFKIV-NXEZZACHSA-N 1 2 280.284 -1.111 20 0 CAADLO CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N(C)C[C@H](O)CO ZINC001176357751 781602183 /nfs/dbraw/zinc/60/21/83/781602183.db2.gz WRFIJUXZJIHYLM-WDEREUQCSA-N 1 2 284.316 -1.732 20 0 CAADLO CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N(C)C[C@H](O)CO ZINC001176357751 781602189 /nfs/dbraw/zinc/60/21/89/781602189.db2.gz WRFIJUXZJIHYLM-WDEREUQCSA-N 1 2 284.316 -1.732 20 0 CAADLO CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@@H](C(N)=O)C1 ZINC001176356715 781602278 /nfs/dbraw/zinc/60/22/78/781602278.db2.gz NJCJRAZBCCVZFH-MWLCHTKSSA-N 1 2 293.327 -1.209 20 0 CAADLO CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@@H](C(N)=O)C1 ZINC001176356715 781602282 /nfs/dbraw/zinc/60/22/82/781602282.db2.gz NJCJRAZBCCVZFH-MWLCHTKSSA-N 1 2 293.327 -1.209 20 0 CAADLO CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@@H]2C[C@H]1C(=O)O2 ZINC001176353443 781602333 /nfs/dbraw/zinc/60/23/33/781602333.db2.gz BDQZCKYMLXGZSS-AXFHLTTASA-N 1 2 292.295 -1.017 20 0 CAADLO CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@@H]2C[C@H]1C(=O)O2 ZINC001176353443 781602336 /nfs/dbraw/zinc/60/23/36/781602336.db2.gz BDQZCKYMLXGZSS-AXFHLTTASA-N 1 2 292.295 -1.017 20 0 CAADLO CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCNC(=O)[C@H]1C ZINC001176354491 781602527 /nfs/dbraw/zinc/60/25/27/781602527.db2.gz DGYCUAQAFUIMFK-LDYMZIIASA-N 1 2 293.327 -1.196 20 0 CAADLO CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCNC(=O)[C@H]1C ZINC001176354491 781602530 /nfs/dbraw/zinc/60/25/30/781602530.db2.gz DGYCUAQAFUIMFK-LDYMZIIASA-N 1 2 293.327 -1.196 20 0 CAADLO CS(=O)(=O)N1CC(NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001176836857 781605055 /nfs/dbraw/zinc/60/50/55/781605055.db2.gz QYAREDRXUYNYNN-UHFFFAOYSA-N 1 2 258.303 -1.288 20 0 CAADLO O=C(Cc1c[nH]c[nH+]1)N[C@@H]1C[C@H](CO)[C@@H](O)[C@H]1O ZINC001176836046 781605356 /nfs/dbraw/zinc/60/53/56/781605356.db2.gz AALBLRRCZCGJGV-IALJFVCMSA-N 1 2 255.274 -1.829 20 0 CAADLO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2C(=O)Cc1nn[nH]n1 ZINC001176840691 781605396 /nfs/dbraw/zinc/60/53/96/781605396.db2.gz MNENIIOUWSHQII-WDEREUQCSA-N 1 2 293.375 -1.021 20 0 CAADLO CN1CCN(C2CN(C(=O)Cc3c[nH+]c[nH]3)C2)CC1=O ZINC001176830971 781605792 /nfs/dbraw/zinc/60/57/92/781605792.db2.gz IAOOXUXSDYKWLW-UHFFFAOYSA-N 1 2 277.328 -1.063 20 0 CAADLO COC(=O)CNC(=O)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001176836592 781605852 /nfs/dbraw/zinc/60/58/52/781605852.db2.gz LJZMTYDTKJJDBG-UHFFFAOYSA-N 1 2 254.246 -1.642 20 0 CAADLO CC(=O)NCC(=O)N1CC[C@@H]2OCC[N@H+](CCO)[C@H]2C1 ZINC001176893567 781607322 /nfs/dbraw/zinc/60/73/22/781607322.db2.gz LCIISJHMZIBUKP-RYUDHWBXSA-N 1 2 285.344 -1.584 20 0 CAADLO CC(=O)NCC(=O)N1CC[C@@H]2OCC[N@@H+](CCO)[C@H]2C1 ZINC001176893567 781607325 /nfs/dbraw/zinc/60/73/25/781607325.db2.gz LCIISJHMZIBUKP-RYUDHWBXSA-N 1 2 285.344 -1.584 20 0 CAADLO CC(=O)NCC(=O)N1CC[C@@H]2OCC[N@H+](CCCO)[C@H]2C1 ZINC001176894499 781607536 /nfs/dbraw/zinc/60/75/36/781607536.db2.gz QBKOIUXXDSZTDS-STQMWFEESA-N 1 2 299.371 -1.193 20 0 CAADLO CC(=O)NCC(=O)N1CC[C@@H]2OCC[N@@H+](CCCO)[C@H]2C1 ZINC001176894499 781607544 /nfs/dbraw/zinc/60/75/44/781607544.db2.gz QBKOIUXXDSZTDS-STQMWFEESA-N 1 2 299.371 -1.193 20 0 CAADLO CC(=O)NCC(=O)N1CC[C@H]2OCC[N@H+](CCCO)[C@@H]2C1 ZINC001176894495 781607602 /nfs/dbraw/zinc/60/76/02/781607602.db2.gz QBKOIUXXDSZTDS-CHWSQXEVSA-N 1 2 299.371 -1.193 20 0 CAADLO CC(=O)NCC(=O)N1CC[C@H]2OCC[N@@H+](CCCO)[C@@H]2C1 ZINC001176894495 781607606 /nfs/dbraw/zinc/60/76/06/781607606.db2.gz QBKOIUXXDSZTDS-CHWSQXEVSA-N 1 2 299.371 -1.193 20 0 CAADLO CC(=O)NCC(=O)N1CC[C@@H]2OCC[N@H+](CCO)[C@@H]2C1 ZINC001176893559 781607789 /nfs/dbraw/zinc/60/77/89/781607789.db2.gz LCIISJHMZIBUKP-NEPJUHHUSA-N 1 2 285.344 -1.584 20 0 CAADLO CC(=O)NCC(=O)N1CC[C@@H]2OCC[N@@H+](CCO)[C@@H]2C1 ZINC001176893559 781607795 /nfs/dbraw/zinc/60/77/95/781607795.db2.gz LCIISJHMZIBUKP-NEPJUHHUSA-N 1 2 285.344 -1.584 20 0 CAADLO CC(=O)N(C)CC(=O)N1CC[C@H]2OCC[N@H+](CCO)[C@@H]2C1 ZINC001176931342 781608869 /nfs/dbraw/zinc/60/88/69/781608869.db2.gz ZDHCGODXCSMFJL-CHWSQXEVSA-N 1 2 299.371 -1.241 20 0 CAADLO CC(=O)N(C)CC(=O)N1CC[C@H]2OCC[N@@H+](CCO)[C@@H]2C1 ZINC001176931342 781608876 /nfs/dbraw/zinc/60/88/76/781608876.db2.gz ZDHCGODXCSMFJL-CHWSQXEVSA-N 1 2 299.371 -1.241 20 0 CAADLO CCOC(=O)C1(NC(=O)Cc2nn[nH]n2)CC[NH+](C)CC1 ZINC001176845105 781610424 /nfs/dbraw/zinc/61/04/24/781610424.db2.gz JWTZDAUAYKUBRU-UHFFFAOYSA-N 1 2 296.331 -1.114 20 0 CAADLO CC(=O)N(C)CC(=O)N1CC[C@@H]2OCC[N@H+](CCO)[C@H]2C1 ZINC001176931345 781611723 /nfs/dbraw/zinc/61/17/23/781611723.db2.gz ZDHCGODXCSMFJL-STQMWFEESA-N 1 2 299.371 -1.241 20 0 CAADLO CC(=O)N(C)CC(=O)N1CC[C@@H]2OCC[N@@H+](CCO)[C@H]2C1 ZINC001176931345 781611726 /nfs/dbraw/zinc/61/17/26/781611726.db2.gz ZDHCGODXCSMFJL-STQMWFEESA-N 1 2 299.371 -1.241 20 0 CAADLO CC(=O)N(C)CC(=O)N1CC[C@H]2OCC[N@H+](CCO)[C@H]2C1 ZINC001176931344 781611769 /nfs/dbraw/zinc/61/17/69/781611769.db2.gz ZDHCGODXCSMFJL-QWHCGFSZSA-N 1 2 299.371 -1.241 20 0 CAADLO CC(=O)N(C)CC(=O)N1CC[C@H]2OCC[N@@H+](CCO)[C@H]2C1 ZINC001176931344 781611774 /nfs/dbraw/zinc/61/17/74/781611774.db2.gz ZDHCGODXCSMFJL-QWHCGFSZSA-N 1 2 299.371 -1.241 20 0 CAADLO CNC(=O)CC(=O)N1CC[C@@H]2OCC[N@H+](CCCO)[C@H]2C1 ZINC001176993576 781612500 /nfs/dbraw/zinc/61/25/00/781612500.db2.gz GUNRCTBFQNIGNX-RYUDHWBXSA-N 1 2 299.371 -1.193 20 0 CAADLO CNC(=O)CC(=O)N1CC[C@@H]2OCC[N@@H+](CCCO)[C@H]2C1 ZINC001176993576 781612510 /nfs/dbraw/zinc/61/25/10/781612510.db2.gz GUNRCTBFQNIGNX-RYUDHWBXSA-N 1 2 299.371 -1.193 20 0 CAADLO CCC(=O)NCC(=O)N1CC[C@H]2OCC[N@H+](CCO)[C@@H]2C1 ZINC001176961585 781612707 /nfs/dbraw/zinc/61/27/07/781612707.db2.gz BMJUFDGQBQSAOM-VXGBXAGGSA-N 1 2 299.371 -1.193 20 0 CAADLO CCC(=O)NCC(=O)N1CC[C@H]2OCC[N@@H+](CCO)[C@@H]2C1 ZINC001176961585 781612713 /nfs/dbraw/zinc/61/27/13/781612713.db2.gz BMJUFDGQBQSAOM-VXGBXAGGSA-N 1 2 299.371 -1.193 20 0 CAADLO CNC(=O)CC(=O)N1CC[C@@H]2OCC[N@H+](CCCO)[C@@H]2C1 ZINC001176993574 781612732 /nfs/dbraw/zinc/61/27/32/781612732.db2.gz GUNRCTBFQNIGNX-NEPJUHHUSA-N 1 2 299.371 -1.193 20 0 CAADLO CNC(=O)CC(=O)N1CC[C@@H]2OCC[N@@H+](CCCO)[C@@H]2C1 ZINC001176993574 781612739 /nfs/dbraw/zinc/61/27/39/781612739.db2.gz GUNRCTBFQNIGNX-NEPJUHHUSA-N 1 2 299.371 -1.193 20 0 CAADLO CCNC(=O)CC(=O)N1CC[C@@H]2OCC[N@H+](CCO)[C@@H]2C1 ZINC001176992862 781612813 /nfs/dbraw/zinc/61/28/13/781612813.db2.gz BITHXKWNEXNKGK-NEPJUHHUSA-N 1 2 299.371 -1.193 20 0 CAADLO CCNC(=O)CC(=O)N1CC[C@@H]2OCC[N@@H+](CCO)[C@@H]2C1 ZINC001176992862 781612818 /nfs/dbraw/zinc/61/28/18/781612818.db2.gz BITHXKWNEXNKGK-NEPJUHHUSA-N 1 2 299.371 -1.193 20 0 CAADLO CNC(=O)CC(=O)N1CC[C@H]2OCC[N@H+](CCCO)[C@@H]2C1 ZINC001176993577 781612991 /nfs/dbraw/zinc/61/29/91/781612991.db2.gz GUNRCTBFQNIGNX-VXGBXAGGSA-N 1 2 299.371 -1.193 20 0 CAADLO CNC(=O)CC(=O)N1CC[C@H]2OCC[N@@H+](CCCO)[C@@H]2C1 ZINC001176993577 781612995 /nfs/dbraw/zinc/61/29/95/781612995.db2.gz GUNRCTBFQNIGNX-VXGBXAGGSA-N 1 2 299.371 -1.193 20 0 CAADLO CCC(=O)NCC(=O)N1CC[C@@H]2OCC[N@H+](CCO)[C@H]2C1 ZINC001176961584 781613050 /nfs/dbraw/zinc/61/30/50/781613050.db2.gz BMJUFDGQBQSAOM-RYUDHWBXSA-N 1 2 299.371 -1.193 20 0 CAADLO CCC(=O)NCC(=O)N1CC[C@@H]2OCC[N@@H+](CCO)[C@H]2C1 ZINC001176961584 781613053 /nfs/dbraw/zinc/61/30/53/781613053.db2.gz BMJUFDGQBQSAOM-RYUDHWBXSA-N 1 2 299.371 -1.193 20 0 CAADLO CNC(=O)CC(=O)N1CC[C@H]2OCC[N@H+](CCO)[C@H]2C1 ZINC001176994837 781613101 /nfs/dbraw/zinc/61/31/01/781613101.db2.gz PYQGEUDMPVTDDB-WDEREUQCSA-N 1 2 285.344 -1.584 20 0 CAADLO CNC(=O)CC(=O)N1CC[C@H]2OCC[N@@H+](CCO)[C@H]2C1 ZINC001176994837 781613102 /nfs/dbraw/zinc/61/31/02/781613102.db2.gz PYQGEUDMPVTDDB-WDEREUQCSA-N 1 2 285.344 -1.584 20 0 CAADLO CCC(=O)NCC(=O)N1CC[C@@H]2OCC[N@H+](CCO)[C@@H]2C1 ZINC001176961582 781613157 /nfs/dbraw/zinc/61/31/57/781613157.db2.gz BMJUFDGQBQSAOM-NEPJUHHUSA-N 1 2 299.371 -1.193 20 0 CAADLO CCC(=O)NCC(=O)N1CC[C@@H]2OCC[N@@H+](CCO)[C@@H]2C1 ZINC001176961582 781613160 /nfs/dbraw/zinc/61/31/60/781613160.db2.gz BMJUFDGQBQSAOM-NEPJUHHUSA-N 1 2 299.371 -1.193 20 0 CAADLO COCCC[N@@H+]1CCO[C@@H]2CCN(C(=O)C(N)=O)C[C@@H]21 ZINC001177072517 781614093 /nfs/dbraw/zinc/61/40/93/781614093.db2.gz HTMUBJVHIKYOFP-WDEREUQCSA-N 1 2 285.344 -1.190 20 0 CAADLO COCCC[N@H+]1CCO[C@@H]2CCN(C(=O)C(N)=O)C[C@@H]21 ZINC001177072517 781614097 /nfs/dbraw/zinc/61/40/97/781614097.db2.gz HTMUBJVHIKYOFP-WDEREUQCSA-N 1 2 285.344 -1.190 20 0 CAADLO CN(C)C(=O)CC(=O)N1CC[C@H]2OCC[N@H+](CCO)[C@H]2C1 ZINC001177107057 781616000 /nfs/dbraw/zinc/61/60/00/781616000.db2.gz MCSVJVJZFPPCCA-NWDGAFQWSA-N 1 2 299.371 -1.241 20 0 CAADLO CN(C)C(=O)CC(=O)N1CC[C@H]2OCC[N@@H+](CCO)[C@H]2C1 ZINC001177107057 781616003 /nfs/dbraw/zinc/61/60/03/781616003.db2.gz MCSVJVJZFPPCCA-NWDGAFQWSA-N 1 2 299.371 -1.241 20 0 CAADLO CN(C)C(=O)CC(=O)N1CC[C@@H]2OCC[N@H+](CCO)[C@H]2C1 ZINC001177107058 781616167 /nfs/dbraw/zinc/61/61/67/781616167.db2.gz MCSVJVJZFPPCCA-RYUDHWBXSA-N 1 2 299.371 -1.241 20 0 CAADLO CN(C)C(=O)CC(=O)N1CC[C@@H]2OCC[N@@H+](CCO)[C@H]2C1 ZINC001177107058 781616170 /nfs/dbraw/zinc/61/61/70/781616170.db2.gz MCSVJVJZFPPCCA-RYUDHWBXSA-N 1 2 299.371 -1.241 20 0 CAADLO NC(=O)CCCC(=O)N1CC[C@H]2OCC[N@H+](CCO)[C@@H]2C1 ZINC001177162813 781616203 /nfs/dbraw/zinc/61/62/03/781616203.db2.gz OLOCLPLSIHODCH-VXGBXAGGSA-N 1 2 299.371 -1.064 20 0 CAADLO NC(=O)CCCC(=O)N1CC[C@H]2OCC[N@@H+](CCO)[C@@H]2C1 ZINC001177162813 781616207 /nfs/dbraw/zinc/61/62/07/781616207.db2.gz OLOCLPLSIHODCH-VXGBXAGGSA-N 1 2 299.371 -1.064 20 0 CAADLO Cn1nnc(C[NH2+]CCCNC(=O)CCCC(N)=O)n1 ZINC001177390736 781619258 /nfs/dbraw/zinc/61/92/58/781619258.db2.gz QPCSJJRSABFCOH-UHFFFAOYSA-N 1 2 283.336 -1.538 20 0 CAADLO COC(=O)[C@@H]1C[N@H+](C)CCN1C(=O)Cc1nnc(C)[nH]1 ZINC001177436673 781620942 /nfs/dbraw/zinc/62/09/42/781620942.db2.gz FKMKGDYZRXEBHB-VIFPVBQESA-N 1 2 281.316 -1.029 20 0 CAADLO COC(=O)[C@@H]1C[N@@H+](C)CCN1C(=O)Cc1nnc(C)[nH]1 ZINC001177436673 781620947 /nfs/dbraw/zinc/62/09/47/781620947.db2.gz FKMKGDYZRXEBHB-VIFPVBQESA-N 1 2 281.316 -1.029 20 0 CAADLO COC(=O)CNC(=O)CNC(=O)[C@@H](C)n1cc[nH+]c1 ZINC001177929484 781627749 /nfs/dbraw/zinc/62/77/49/781627749.db2.gz LWYDCVROAPNVLT-MRVPVSSYSA-N 1 2 268.273 -1.151 20 0 CAADLO CN1C[C@H](C(=O)N[C@@H](CO)Cc2c[nH]c[nH+]2)CC1=O ZINC001178529242 781636280 /nfs/dbraw/zinc/63/62/80/781636280.db2.gz UHMWRBKFUDSOPE-PSASIEDQSA-N 1 2 266.301 -1.092 20 0 CAADLO CN1C[C@H](C(=O)N[C@@H](CO)Cc2c[nH+]c[nH]2)CC1=O ZINC001178529242 781636287 /nfs/dbraw/zinc/63/62/87/781636287.db2.gz UHMWRBKFUDSOPE-PSASIEDQSA-N 1 2 266.301 -1.092 20 0 CAADLO COC(=O)[C@@H]1C[N@H+](C)CCN1C(=O)[C@H]1CC(=O)N(C)C1 ZINC001178521693 781636551 /nfs/dbraw/zinc/63/65/51/781636551.db2.gz SFCIRMHPMMGULW-UWVGGRQHSA-N 1 2 283.328 -1.220 20 0 CAADLO COC(=O)[C@@H]1C[N@@H+](C)CCN1C(=O)[C@H]1CC(=O)N(C)C1 ZINC001178521693 781636554 /nfs/dbraw/zinc/63/65/54/781636554.db2.gz SFCIRMHPMMGULW-UWVGGRQHSA-N 1 2 283.328 -1.220 20 0 CAADLO CNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COC)C2 ZINC001110223141 781638103 /nfs/dbraw/zinc/63/81/03/781638103.db2.gz CPLPPKSVNHLOKA-BBBLOLIVSA-N 1 2 298.343 -1.190 20 0 CAADLO CNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COC)C2 ZINC001110223141 781638111 /nfs/dbraw/zinc/63/81/11/781638111.db2.gz CPLPPKSVNHLOKA-BBBLOLIVSA-N 1 2 298.343 -1.190 20 0 CAADLO CC(=O)N1CCN(CC(=O)NC[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001179033766 781644961 /nfs/dbraw/zinc/64/49/61/781644961.db2.gz JARUIVQGSQBKBU-CYBMUJFWSA-N 1 2 298.387 -1.403 20 0 CAADLO CC(=O)N1CCN(CC(=O)NC[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001179033766 781644967 /nfs/dbraw/zinc/64/49/67/781644967.db2.gz JARUIVQGSQBKBU-CYBMUJFWSA-N 1 2 298.387 -1.403 20 0 CAADLO CC(=O)N1CCN(CC(=O)NC[C@H]2C[N@H+](C)CCO2)CC1 ZINC001179033773 781645272 /nfs/dbraw/zinc/64/52/72/781645272.db2.gz JARUIVQGSQBKBU-ZDUSSCGKSA-N 1 2 298.387 -1.403 20 0 CAADLO CC(=O)N1CCN(CC(=O)NC[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001179033773 781645278 /nfs/dbraw/zinc/64/52/78/781645278.db2.gz JARUIVQGSQBKBU-ZDUSSCGKSA-N 1 2 298.387 -1.403 20 0 CAADLO CCn1cc(C[NH2+]C[C@H](O)CS(C)(=O)=O)nn1 ZINC001179699527 781651094 /nfs/dbraw/zinc/65/10/94/781651094.db2.gz AICFUNASQHGICK-VIFPVBQESA-N 1 2 262.335 -1.207 20 0 CAADLO CS(=O)(=O)C[C@@H](O)CNC(=O)Cn1cc[nH+]c1 ZINC001179623155 781651413 /nfs/dbraw/zinc/65/14/13/781651413.db2.gz DGPGFJUFGPMUAP-QMMMGPOBSA-N 1 2 261.303 -1.595 20 0 CAADLO C[N@@H+]1CCO[C@H](CNC(=O)Cc2nc(N)n[nH]2)C1 ZINC001180250546 781656907 /nfs/dbraw/zinc/65/69/07/781656907.db2.gz MHUXGMARQFFIJF-SSDOTTSWSA-N 1 2 254.294 -1.624 20 0 CAADLO C[N@H+]1CCO[C@H](CNC(=O)Cc2nc(N)n[nH]2)C1 ZINC001180250546 781656913 /nfs/dbraw/zinc/65/69/13/781656913.db2.gz MHUXGMARQFFIJF-SSDOTTSWSA-N 1 2 254.294 -1.624 20 0 CAADLO COC(=O)[C@H]1C[N@H+](C)CCN1C(=O)C1=NNC(=O)CC1 ZINC001180256165 781658050 /nfs/dbraw/zinc/65/80/50/781658050.db2.gz WMLVSBFUIHQXPF-SECBINFHSA-N 1 2 282.300 -1.432 20 0 CAADLO COC(=O)[C@H]1C[N@@H+](C)CCN1C(=O)C1=NNC(=O)CC1 ZINC001180256165 781658055 /nfs/dbraw/zinc/65/80/55/781658055.db2.gz WMLVSBFUIHQXPF-SECBINFHSA-N 1 2 282.300 -1.432 20 0 CAADLO O=C(N[C@@H](CO)Cc1c[nH]c[nH+]1)C1=NNC(=O)CC1 ZINC001180259943 781658534 /nfs/dbraw/zinc/65/85/34/781658534.db2.gz JUOOGSAANBARJY-MRVPVSSYSA-N 1 2 265.273 -1.305 20 0 CAADLO O=C(N[C@@H](CO)Cc1c[nH+]c[nH]1)C1=NNC(=O)CC1 ZINC001180259943 781658548 /nfs/dbraw/zinc/65/85/48/781658548.db2.gz JUOOGSAANBARJY-MRVPVSSYSA-N 1 2 265.273 -1.305 20 0 CAADLO COC(=O)[C@@H]1C[N@H+](C)CCN1C(=O)C1=NNC(=O)CC1 ZINC001180256166 781658811 /nfs/dbraw/zinc/65/88/11/781658811.db2.gz WMLVSBFUIHQXPF-VIFPVBQESA-N 1 2 282.300 -1.432 20 0 CAADLO COC(=O)[C@@H]1C[N@@H+](C)CCN1C(=O)C1=NNC(=O)CC1 ZINC001180256166 781658814 /nfs/dbraw/zinc/65/88/14/781658814.db2.gz WMLVSBFUIHQXPF-VIFPVBQESA-N 1 2 282.300 -1.432 20 0 CAADLO COCCn1c[nH+]cc1CNC(=O)CN1C(=O)CNC1=O ZINC001180384999 781663188 /nfs/dbraw/zinc/66/31/88/781663188.db2.gz MSIVFJSLBCQCAR-UHFFFAOYSA-N 1 2 295.299 -1.303 20 0 CAADLO C[N@@H+]1CCO[C@@H](CNC(=O)CN2C(=O)CNC2=O)C1 ZINC001180385255 781663272 /nfs/dbraw/zinc/66/32/72/781663272.db2.gz ZTWOKOFJXTXJAB-QMMMGPOBSA-N 1 2 270.289 -2.015 20 0 CAADLO C[N@H+]1CCO[C@@H](CNC(=O)CN2C(=O)CNC2=O)C1 ZINC001180385255 781663276 /nfs/dbraw/zinc/66/32/76/781663276.db2.gz ZTWOKOFJXTXJAB-QMMMGPOBSA-N 1 2 270.289 -2.015 20 0 CAADLO C[C@H]1COCC[N@@H+]1CCNC(=O)CN1C(=O)CNC1=O ZINC001180386052 781663567 /nfs/dbraw/zinc/66/35/67/781663567.db2.gz FBKDUHWCABQKRT-VIFPVBQESA-N 1 2 284.316 -1.625 20 0 CAADLO C[C@H]1COCC[N@H+]1CCNC(=O)CN1C(=O)CNC1=O ZINC001180386052 781663572 /nfs/dbraw/zinc/66/35/72/781663572.db2.gz FBKDUHWCABQKRT-VIFPVBQESA-N 1 2 284.316 -1.625 20 0 CAADLO Cc1c[nH]c(CCNC(=O)CN2C(=O)CNC2=O)[nH+]1 ZINC001180385257 781663726 /nfs/dbraw/zinc/66/37/26/781663726.db2.gz ZUSQTVINNDJDMU-UHFFFAOYSA-N 1 2 265.273 -1.071 20 0 CAADLO C[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2CSCC(=O)N2)C1 ZINC001180556174 781668903 /nfs/dbraw/zinc/66/89/03/781668903.db2.gz ONMZNKCKEBRNPI-DTWKUNHWSA-N 1 2 273.358 -1.335 20 0 CAADLO C[N@H+]1CCO[C@@H](CNC(=O)[C@H]2CSCC(=O)N2)C1 ZINC001180556174 781668907 /nfs/dbraw/zinc/66/89/07/781668907.db2.gz ONMZNKCKEBRNPI-DTWKUNHWSA-N 1 2 273.358 -1.335 20 0 CAADLO O=C(N[C@@H](CO)Cc1c[nH]c[nH+]1)[C@@H]1CSCC(=O)N1 ZINC001180555767 781668995 /nfs/dbraw/zinc/66/89/95/781668995.db2.gz LJOCEDUHIXMIEU-BDAKNGLRSA-N 1 2 284.341 -1.339 20 0 CAADLO O=C(N[C@@H](CO)Cc1c[nH+]c[nH]1)[C@@H]1CSCC(=O)N1 ZINC001180555767 781668999 /nfs/dbraw/zinc/66/89/99/781668999.db2.gz LJOCEDUHIXMIEU-BDAKNGLRSA-N 1 2 284.341 -1.339 20 0 CAADLO COCCC(=O)N1CC[C@@H]([NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001180593584 781670168 /nfs/dbraw/zinc/67/01/68/781670168.db2.gz PVCBTHAQJGGZGX-SECBINFHSA-N 1 2 283.332 -1.165 20 0 CAADLO O=C(CN1CCS(=O)(=O)CC1)N1CC[N@@H+]2CC[C@@H]2C1 ZINC001180595276 781670205 /nfs/dbraw/zinc/67/02/05/781670205.db2.gz VASZBHHSGQOMKV-LLVKDONJSA-N 1 2 287.385 -1.367 20 0 CAADLO O=C(CN1CCS(=O)(=O)CC1)N1CC[N@H+]2CC[C@@H]2C1 ZINC001180595276 781670207 /nfs/dbraw/zinc/67/02/07/781670207.db2.gz VASZBHHSGQOMKV-LLVKDONJSA-N 1 2 287.385 -1.367 20 0 CAADLO C[N@@H+]1CCO[C@H](C(=O)Nc2c[nH]nc2C(N)=O)C1 ZINC001180755284 781674319 /nfs/dbraw/zinc/67/43/19/781674319.db2.gz CUBWXMMZBIAOIA-ZETCQYMHSA-N 1 2 253.262 -1.222 20 0 CAADLO C[N@H+]1CCO[C@H](C(=O)Nc2c[nH]nc2C(N)=O)C1 ZINC001180755284 781674324 /nfs/dbraw/zinc/67/43/24/781674324.db2.gz CUBWXMMZBIAOIA-ZETCQYMHSA-N 1 2 253.262 -1.222 20 0 CAADLO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+]1CCC(=O)NC(N)=O ZINC000163810466 781674920 /nfs/dbraw/zinc/67/49/20/781674920.db2.gz ZKTAPRFIPSWAGQ-RQJHMYQMSA-N 1 2 259.262 -1.820 20 0 CAADLO COC(=O)[C@@H]1C[C@@H](O)C[N@H+]1CCC(=O)NC(N)=O ZINC000163810466 781674927 /nfs/dbraw/zinc/67/49/27/781674927.db2.gz ZKTAPRFIPSWAGQ-RQJHMYQMSA-N 1 2 259.262 -1.820 20 0 CAADLO C[N@@H+]1CCO[C@H](C(=O)Nc2nccnc2C(N)=O)C1 ZINC001180755820 781674940 /nfs/dbraw/zinc/67/49/40/781674940.db2.gz CTFCZIRWVGTWKL-ZETCQYMHSA-N 1 2 265.273 -1.155 20 0 CAADLO C[N@H+]1CCO[C@H](C(=O)Nc2nccnc2C(N)=O)C1 ZINC001180755820 781674948 /nfs/dbraw/zinc/67/49/48/781674948.db2.gz CTFCZIRWVGTWKL-ZETCQYMHSA-N 1 2 265.273 -1.155 20 0 CAADLO COC(=O)[C@@H]1CN(C)CCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001180760516 781676117 /nfs/dbraw/zinc/67/61/17/781676117.db2.gz VOFQGCOICWQVIJ-QWRGUYRKSA-N 1 2 285.344 -1.367 20 0 CAADLO COC(=O)[C@@H]1CN(C)CCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001180760516 781676126 /nfs/dbraw/zinc/67/61/26/781676126.db2.gz VOFQGCOICWQVIJ-QWRGUYRKSA-N 1 2 285.344 -1.367 20 0 CAADLO C[N@@H+]1CCO[C@H](C(=O)Nc2[nH]c(=O)nc3[nH]c(=O)[nH]c32)C1 ZINC001180762377 781676239 /nfs/dbraw/zinc/67/62/39/781676239.db2.gz BFAKSNZIEQJNMJ-YFKPBYRVSA-N 1 2 294.271 -1.015 20 0 CAADLO C[N@H+]1CCO[C@H](C(=O)Nc2[nH]c(=O)nc3[nH]c(=O)[nH]c32)C1 ZINC001180762377 781676249 /nfs/dbraw/zinc/67/62/49/781676249.db2.gz BFAKSNZIEQJNMJ-YFKPBYRVSA-N 1 2 294.271 -1.015 20 0 CAADLO CCOCC(=O)N1CC[C@@H]([NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001180788454 781676524 /nfs/dbraw/zinc/67/65/24/781676524.db2.gz UYJYMFSNNDPHKA-SECBINFHSA-N 1 2 283.332 -1.165 20 0 CAADLO COC(=O)[C@@H]1CN(C)CCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001180760517 781677119 /nfs/dbraw/zinc/67/71/19/781677119.db2.gz VOFQGCOICWQVIJ-WDEREUQCSA-N 1 2 285.344 -1.367 20 0 CAADLO COC(=O)[C@@H]1CN(C)CCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001180760517 781677126 /nfs/dbraw/zinc/67/71/26/781677126.db2.gz VOFQGCOICWQVIJ-WDEREUQCSA-N 1 2 285.344 -1.367 20 0 CAADLO COCCN1C[C@@H](C(=O)NC2C[NH+](C)C2)CC1=O ZINC001180891379 781680154 /nfs/dbraw/zinc/68/01/54/781680154.db2.gz NVMJORQXJSLGQO-VIFPVBQESA-N 1 2 255.318 -1.089 20 0 CAADLO CCc1noc(C[NH2+][C@@H]2CCN(C(=O)CNC(N)=O)C2)n1 ZINC001180907737 781682528 /nfs/dbraw/zinc/68/25/28/781682528.db2.gz XAPUPJBFVDEQMU-MRVPVSSYSA-N 1 2 296.331 -1.009 20 0 CAADLO C[N@@H+]1CCO[C@@H](CNC(=O)CN2CC(=O)NC2=O)C1 ZINC000264717400 781682665 /nfs/dbraw/zinc/68/26/65/781682665.db2.gz FLFIEXWRNCVWCT-QMMMGPOBSA-N 1 2 270.289 -2.015 20 0 CAADLO C[N@H+]1CCO[C@@H](CNC(=O)CN2CC(=O)NC2=O)C1 ZINC000264717400 781682671 /nfs/dbraw/zinc/68/26/71/781682671.db2.gz FLFIEXWRNCVWCT-QMMMGPOBSA-N 1 2 270.289 -2.015 20 0 CAADLO NC(=O)NCC(=O)N1CC[C@@H]([NH2+]Cc2cnsn2)C1 ZINC001180897887 781683540 /nfs/dbraw/zinc/68/35/40/781683540.db2.gz VUQJXLGWLQZGJJ-SSDOTTSWSA-N 1 2 284.345 -1.103 20 0 CAADLO COC(=O)[C@@H]1C[N@H+](C)CCN1C(=O)[C@H]1COCCO1 ZINC001180999875 781684078 /nfs/dbraw/zinc/68/40/78/781684078.db2.gz JYYJBIZNROKAFO-VHSXEESVSA-N 1 2 272.301 -1.283 20 0 CAADLO COC(=O)[C@@H]1C[N@@H+](C)CCN1C(=O)[C@H]1COCCO1 ZINC001180999875 781684079 /nfs/dbraw/zinc/68/40/79/781684079.db2.gz JYYJBIZNROKAFO-VHSXEESVSA-N 1 2 272.301 -1.283 20 0 CAADLO Cc1nnc(C[NH2+][C@@H]2CCN(C(=O)CNC(N)=O)C2)o1 ZINC001180897810 781684419 /nfs/dbraw/zinc/68/44/19/781684419.db2.gz UDPMNQPDGLRVGP-MRVPVSSYSA-N 1 2 282.304 -1.263 20 0 CAADLO CN1C(=O)C[C@@H](C(=O)NCCn2cc[nH+]c2)NC1=O ZINC001181128769 781686454 /nfs/dbraw/zinc/68/64/54/781686454.db2.gz BGTZZKNVDLNBKA-QMMMGPOBSA-N 1 2 265.273 -1.060 20 0 CAADLO CN1C(=O)C[C@@H](C(=O)NC[C@@H]2C[N@H+](C)CCO2)NC1=O ZINC001181136956 781689037 /nfs/dbraw/zinc/68/90/37/781689037.db2.gz WACRPLOTMPXDFA-BDAKNGLRSA-N 1 2 284.316 -1.627 20 0 CAADLO CN1C(=O)C[C@@H](C(=O)NC[C@@H]2C[N@@H+](C)CCO2)NC1=O ZINC001181136956 781689040 /nfs/dbraw/zinc/68/90/40/781689040.db2.gz WACRPLOTMPXDFA-BDAKNGLRSA-N 1 2 284.316 -1.627 20 0 CAADLO COC(=O)CNC(=O)CNC(=O)Cc1cc[nH+]c(N)c1 ZINC001181280396 781690924 /nfs/dbraw/zinc/69/09/24/781690924.db2.gz ZDMHQTJUZGCSNQ-UHFFFAOYSA-N 1 2 280.284 -1.388 20 0 CAADLO NC(=O)[C@@H]1CN(C(=O)Cc2cc[nH+]c(N)c2)CCO1 ZINC001181258407 781690995 /nfs/dbraw/zinc/69/09/95/781690995.db2.gz ZPOMFVYHISJMIE-VIFPVBQESA-N 1 2 264.285 -1.081 20 0 CAADLO CC(=O)C[C@H](C)C(=O)N1CN[C@H]([NH3+])[C@@H]2NCN[C@H]21 ZINC001181256330 781692208 /nfs/dbraw/zinc/69/22/08/781692208.db2.gz KGRDDWNJHXMSKC-LKEDHPFLSA-N 1 2 255.322 -1.879 20 0 CAADLO [NH3+][C@@H]1NCN(C(=O)C(=O)Cc2ccccc2)[C@@H]2NCN[C@H]21 ZINC001181380606 781693242 /nfs/dbraw/zinc/69/32/42/781693242.db2.gz KRYHBVNTZWLKKR-XQQFMLRXSA-N 1 2 289.339 -1.683 20 0 CAADLO COC(=O)[C@H](Cc1c[nH+]cn1C)NC(=O)COCCO ZINC001181799643 781701395 /nfs/dbraw/zinc/70/13/95/781701395.db2.gz FJIGBFKQCPAAFP-JTQLQIEISA-N 1 2 285.300 -1.371 20 0 CAADLO COC(=O)[C@@H](Cc1c[nH+]cn1C)NC(=O)COCCO ZINC001181799644 781701471 /nfs/dbraw/zinc/70/14/71/781701471.db2.gz FJIGBFKQCPAAFP-SNVBAGLBSA-N 1 2 285.300 -1.371 20 0 CAADLO O=C(COCCO)NCC1([NH+]2CCCC2)COC1 ZINC001181800521 781701685 /nfs/dbraw/zinc/70/16/85/781701685.db2.gz VKGIMFFSVVBOAA-UHFFFAOYSA-N 1 2 258.318 -1.024 20 0 CAADLO [NH3+][C@@H]1NCN(C(=O)[C@H]2CCC(=O)C2)[C@@H]2NCN[C@H]21 ZINC001181905419 781703822 /nfs/dbraw/zinc/70/38/22/781703822.db2.gz QDFRRUKNMFEYHL-MCNGFCJOSA-N 1 2 253.306 -2.125 20 0 CAADLO CC(=O)N[C@H](CCO)C(=O)NCCn1cc[nH+]c1 ZINC001182095226 781709892 /nfs/dbraw/zinc/70/98/92/781709892.db2.gz MQXXPEXZUVTEIH-SNVBAGLBSA-N 1 2 254.290 -1.114 20 0 CAADLO CC(=O)N[C@@H](CCO)C(=O)NCCc1cn(C)c[nH+]1 ZINC001182134711 781709983 /nfs/dbraw/zinc/70/99/83/781709983.db2.gz KPMILWUXNWEYHR-NSHDSACASA-N 1 2 268.317 -1.034 20 0 CAADLO CC(=O)N[C@H](CCO)C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC001182135242 781711492 /nfs/dbraw/zinc/71/14/92/781711492.db2.gz SFZAABPMMSBUIJ-WDEREUQCSA-N 1 2 273.333 -1.680 20 0 CAADLO CC(=O)N[C@H](CCO)C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC001182135242 781711496 /nfs/dbraw/zinc/71/14/96/781711496.db2.gz SFZAABPMMSBUIJ-WDEREUQCSA-N 1 2 273.333 -1.680 20 0 CAADLO CC(=O)N[C@@H](CCO)C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC001182139352 781712129 /nfs/dbraw/zinc/71/21/29/781712129.db2.gz ROKSZBRLRMGECX-JQWIXIFHSA-N 1 2 287.360 -1.290 20 0 CAADLO CC(=O)N[C@@H](CCO)C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC001182139352 781712132 /nfs/dbraw/zinc/71/21/32/781712132.db2.gz ROKSZBRLRMGECX-JQWIXIFHSA-N 1 2 287.360 -1.290 20 0 CAADLO COC(=O)NCC(=O)N[C@@H](Cc1c[nH+]cn1C)C(=O)OC ZINC001182162876 781713984 /nfs/dbraw/zinc/71/39/84/781713984.db2.gz AGPUIOBVXRCRBC-VIFPVBQESA-N 1 2 298.299 -1.024 20 0 CAADLO O=C(CC1CC(=O)NC(=O)C1)N[C@@H](CO)Cc1c[nH]c[nH+]1 ZINC001182177349 781715424 /nfs/dbraw/zinc/71/54/24/781715424.db2.gz MZAJPQMJAMVURP-SNVBAGLBSA-N 1 2 294.311 -1.128 20 0 CAADLO O=C(CC1CC(=O)NC(=O)C1)N[C@@H](CO)Cc1c[nH+]c[nH]1 ZINC001182177349 781715428 /nfs/dbraw/zinc/71/54/28/781715428.db2.gz MZAJPQMJAMVURP-SNVBAGLBSA-N 1 2 294.311 -1.128 20 0 CAADLO NC(=O)[C@H]1C[C@@H]1C(=O)N[C@@H](CO)Cc1c[nH]c[nH+]1 ZINC001182385080 781719643 /nfs/dbraw/zinc/71/96/43/781719643.db2.gz KHQVJVWRYJAIOP-VGMNWLOBSA-N 1 2 252.274 -1.449 20 0 CAADLO NC(=O)[C@H]1C[C@@H]1C(=O)N[C@@H](CO)Cc1c[nH+]c[nH]1 ZINC001182385080 781719652 /nfs/dbraw/zinc/71/96/52/781719652.db2.gz KHQVJVWRYJAIOP-VGMNWLOBSA-N 1 2 252.274 -1.449 20 0 CAADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1C[C@H]1C(N)=O ZINC001182390898 781721918 /nfs/dbraw/zinc/72/19/18/781721918.db2.gz LJFGVFPXQOZCED-OPRDCNLKSA-N 1 2 255.318 -1.055 20 0 CAADLO C[C@@H]1COCC[N@H+]1CCNC(=O)[C@@H]1C[C@H]1C(N)=O ZINC001182390898 781721922 /nfs/dbraw/zinc/72/19/22/781721922.db2.gz LJFGVFPXQOZCED-OPRDCNLKSA-N 1 2 255.318 -1.055 20 0 CAADLO [NH3+][C@@H]1NCN(C(=O)C2CS(=O)(=O)C2)[C@H]2NCN[C@H]21 ZINC001182817297 781729943 /nfs/dbraw/zinc/72/99/43/781729943.db2.gz UKHXVFSIJYWNPD-XLPZGREQSA-N 1 2 275.334 -3.450 20 0 CAADLO CN(CC(=O)N[C@@H](CO)Cc1c[nH]c[nH+]1)S(C)(=O)=O ZINC001182883833 781731790 /nfs/dbraw/zinc/73/17/90/781731790.db2.gz RGXGWGNITRZIHC-SECBINFHSA-N 1 2 290.345 -1.679 20 0 CAADLO CN(CC(=O)N[C@@H](CO)Cc1c[nH+]c[nH]1)S(C)(=O)=O ZINC001182883833 781731800 /nfs/dbraw/zinc/73/18/00/781731800.db2.gz RGXGWGNITRZIHC-SECBINFHSA-N 1 2 290.345 -1.679 20 0 CAADLO O=C(NCC[NH2+]Cc1ncccn1)[C@@H]1CCS(=O)(=O)N1 ZINC001151301440 781731860 /nfs/dbraw/zinc/73/18/60/781731860.db2.gz UPDICWDPIOLEPB-VIFPVBQESA-N 1 2 299.356 -1.626 20 0 CAADLO Cc1nc(N(C)C)nc(NC2(CNC(=O)C(N)=O)CC2)[nH+]1 ZINC001110324436 781732132 /nfs/dbraw/zinc/73/21/32/781732132.db2.gz OJOKZFLNHQIWEE-UHFFFAOYSA-N 1 2 293.331 -1.208 20 0 CAADLO CN(CC(=O)NCCc1[nH+]ccn1C)S(C)(=O)=O ZINC001182884033 781732194 /nfs/dbraw/zinc/73/21/94/781732194.db2.gz UYJMJWIMAHPUOS-UHFFFAOYSA-N 1 2 274.346 -1.030 20 0 CAADLO O=C(NCC[NH2+]Cc1cnon1)[C@@H]1CCS(=O)(=O)N1 ZINC001151299873 781732220 /nfs/dbraw/zinc/73/22/20/781732220.db2.gz IAYHZBFYVBHHID-QMMMGPOBSA-N 1 2 289.317 -2.033 20 0 CAADLO COC(=O)[C@H]1C[N@H+](C)CCN1C(=O)[C@@H]1CCNC1=O ZINC001183001623 781732738 /nfs/dbraw/zinc/73/27/38/781732738.db2.gz MDEIXIXDOOZXRS-RKDXNWHRSA-N 1 2 269.301 -1.562 20 0 CAADLO COC(=O)[C@H]1C[N@@H+](C)CCN1C(=O)[C@@H]1CCNC1=O ZINC001183001623 781732741 /nfs/dbraw/zinc/73/27/41/781732741.db2.gz MDEIXIXDOOZXRS-RKDXNWHRSA-N 1 2 269.301 -1.562 20 0 CAADLO COC(=O)[C@@H](Cc1c[nH+]cn1C)NC(=O)[C@@H]1CCNC1=O ZINC001183029664 781734106 /nfs/dbraw/zinc/73/41/06/781734106.db2.gz CLGBPUVVAPFQHQ-NXEZZACHSA-N 1 2 294.311 -1.244 20 0 CAADLO COC(=O)[C@@H]1C[N@H+](C)CCN1C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001183072987 781736238 /nfs/dbraw/zinc/73/62/38/781736238.db2.gz MPFGTHGWCNGQIU-IUCAKERBSA-N 1 2 284.316 -1.674 20 0 CAADLO COC(=O)[C@@H]1C[N@@H+](C)CCN1C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001183072987 781736245 /nfs/dbraw/zinc/73/62/45/781736245.db2.gz MPFGTHGWCNGQIU-IUCAKERBSA-N 1 2 284.316 -1.674 20 0 CAADLO CNC(=O)NCC(=O)N1CC[C@@H]([NH2+]Cc2nc(C)no2)C1 ZINC001183054929 781739129 /nfs/dbraw/zinc/73/91/29/781739129.db2.gz JMCVJFNSTTUDQO-SECBINFHSA-N 1 2 296.331 -1.002 20 0 CAADLO [NH3+][C@@H]1NCN(C(=O)[C@H](O)C(F)(F)F)[C@H]2NCN[C@@H]21 ZINC001183199982 781741541 /nfs/dbraw/zinc/74/15/41/781741541.db2.gz ABHWGOKMGHVIJO-JGWLITMVSA-N 1 2 269.227 -2.571 20 0 CAADLO [NH3+][C@@H]1NCN(C(=O)[C@H](O)C(F)(F)F)[C@@H]2NCN[C@H]21 ZINC001183199976 781741812 /nfs/dbraw/zinc/74/18/12/781741812.db2.gz ABHWGOKMGHVIJO-AZGQCCRYSA-N 1 2 269.227 -2.571 20 0 CAADLO CC(=O)N[C@H](C(=O)NCCn1cc[nH+]c1)[C@@H](C)O ZINC001183696883 781748265 /nfs/dbraw/zinc/74/82/65/781748265.db2.gz WWOREODQQWSSBK-SCZZXKLOSA-N 1 2 254.290 -1.115 20 0 CAADLO CC(=O)N[C@H](C(=O)NC[C@@H]1C[N@H+](C)CCO1)[C@@H](C)O ZINC001183703131 781750583 /nfs/dbraw/zinc/75/05/83/781750583.db2.gz SDSXXJRUAYXYDI-IEBDPFPHSA-N 1 2 273.333 -1.681 20 0 CAADLO CC(=O)N[C@H](C(=O)NC[C@@H]1C[N@@H+](C)CCO1)[C@@H](C)O ZINC001183703131 781750588 /nfs/dbraw/zinc/75/05/88/781750588.db2.gz SDSXXJRUAYXYDI-IEBDPFPHSA-N 1 2 273.333 -1.681 20 0 CAADLO CC(=O)N[C@H](C(=O)N[C@@H](CO)Cc1c[nH]c[nH+]1)[C@@H](C)O ZINC001183704590 781751424 /nfs/dbraw/zinc/75/14/24/781751424.db2.gz XOUUOOQHBKTTCU-ONOSFVFSSA-N 1 2 284.316 -1.685 20 0 CAADLO CC(=O)N[C@H](C(=O)N[C@@H](CO)Cc1c[nH+]c[nH]1)[C@@H](C)O ZINC001183704590 781751434 /nfs/dbraw/zinc/75/14/34/781751434.db2.gz XOUUOOQHBKTTCU-ONOSFVFSSA-N 1 2 284.316 -1.685 20 0 CAADLO C[N@@H+]1CCO[C@H](CNC(=O)C[C@@H]2NC(=O)CNC2=O)C1 ZINC001183726693 781754189 /nfs/dbraw/zinc/75/41/89/781754189.db2.gz JEUSGVRDQPTWTE-BDAKNGLRSA-N 1 2 284.316 -2.562 20 0 CAADLO C[N@H+]1CCO[C@H](CNC(=O)C[C@@H]2NC(=O)CNC2=O)C1 ZINC001183726693 781754195 /nfs/dbraw/zinc/75/41/95/781754195.db2.gz JEUSGVRDQPTWTE-BDAKNGLRSA-N 1 2 284.316 -2.562 20 0 CAADLO Cn1cc[nH+]c1CCNC(=O)C[C@@H]1NC(=O)CNC1=O ZINC001183728654 781756502 /nfs/dbraw/zinc/75/65/02/781756502.db2.gz GGWQLQAKCZMVHH-QMMMGPOBSA-N 1 2 279.300 -1.917 20 0 CAADLO CNS(=O)(=O)CC(=O)NCC[NH2+]Cc1ncccn1 ZINC001151373166 781759219 /nfs/dbraw/zinc/75/92/19/781759219.db2.gz KKPDMFHLAZKSJD-UHFFFAOYSA-N 1 2 287.345 -1.768 20 0 CAADLO COCC[NH+]1CCN(C(=O)C2(CO)COC2)CC1 ZINC001184042336 781762086 /nfs/dbraw/zinc/76/20/86/781762086.db2.gz IAECTBYHWGVAGE-UHFFFAOYSA-N 1 2 258.318 -1.214 20 0 CAADLO CNS(=O)(=O)CC(=O)NCC[NH2+]Cc1nonc1C ZINC001151373728 781759872 /nfs/dbraw/zinc/75/98/72/781759872.db2.gz VFQFZNNAYGQGGW-UHFFFAOYSA-N 1 2 291.333 -1.867 20 0 CAADLO COC(=O)[C@@H]1C[N@H+](C)CCN1C(=O)C1(CO)COC1 ZINC001184044757 781761716 /nfs/dbraw/zinc/76/17/16/781761716.db2.gz ZHGKUVXXZKJCAC-VIFPVBQESA-N 1 2 272.301 -1.689 20 0 CAADLO COC(=O)[C@@H]1C[N@@H+](C)CCN1C(=O)C1(CO)COC1 ZINC001184044757 781761721 /nfs/dbraw/zinc/76/17/21/781761721.db2.gz ZHGKUVXXZKJCAC-VIFPVBQESA-N 1 2 272.301 -1.689 20 0 CAADLO C[C@@H]1NC(=O)[C@H](CCC(=O)NC2C[NH+](C)C2)NC1=O ZINC001184092403 781762758 /nfs/dbraw/zinc/76/27/58/781762758.db2.gz BWHZYQLZBZDMNT-CBAPKCEASA-N 1 2 268.317 -1.800 20 0 CAADLO COC(=O)[C@@H]1C[N@H+](C)CCN1C(=O)[C@@H]1CCC(=O)N1C ZINC001184310084 781766500 /nfs/dbraw/zinc/76/65/00/781766500.db2.gz JFUZHKNZEXJDPI-UWVGGRQHSA-N 1 2 283.328 -1.077 20 0 CAADLO COC(=O)[C@@H]1C[N@@H+](C)CCN1C(=O)[C@@H]1CCC(=O)N1C ZINC001184310084 781766504 /nfs/dbraw/zinc/76/65/04/781766504.db2.gz JFUZHKNZEXJDPI-UWVGGRQHSA-N 1 2 283.328 -1.077 20 0 CAADLO CC[C@H](C)C(=O)C(=O)N1CN[C@H]([NH3+])[C@@H]2NCN[C@@H]21 ZINC001184324139 781766590 /nfs/dbraw/zinc/76/65/90/781766590.db2.gz HAMGCGVGXGVPQF-ZRUAGYDASA-N 1 2 255.322 -1.879 20 0 CAADLO CC[C@H](C)C(=O)C(=O)N1CN[C@H]([NH3+])[C@H]2NCN[C@@H]21 ZINC001184324137 781767180 /nfs/dbraw/zinc/76/71/80/781767180.db2.gz HAMGCGVGXGVPQF-WPYKOPORSA-N 1 2 255.322 -1.879 20 0 CAADLO CC(=O)[C@H](C)CC(=O)N1CN[C@H]([NH3+])[C@@H]2NCN[C@@H]21 ZINC001184343739 781767402 /nfs/dbraw/zinc/76/74/02/781767402.db2.gz IRMWNBXXFXVPFP-LUGRLLCRSA-N 1 2 255.322 -1.879 20 0 CAADLO CC[C@H](C)C(=O)C(=O)N1CN[C@H]([NH3+])[C@H]2NCN[C@H]21 ZINC001184324136 781767619 /nfs/dbraw/zinc/76/76/19/781767619.db2.gz HAMGCGVGXGVPQF-MBLNEYKQSA-N 1 2 255.322 -1.879 20 0 CAADLO [NH3+][C@@H]1NCN(C(=O)CC(=O)C(F)(F)F)[C@H]2NCN[C@H]21 ZINC001184466431 781768476 /nfs/dbraw/zinc/76/84/76/781768476.db2.gz HIIKYAYYNIEGKK-XLPZGREQSA-N 1 2 281.238 -1.973 20 0 CAADLO [NH3+][C@@H]1NCN(C(=O)CC(=O)C(F)(F)F)[C@H]2NCN[C@@H]21 ZINC001184466428 781768687 /nfs/dbraw/zinc/76/86/87/781768687.db2.gz HIIKYAYYNIEGKK-BWZBUEFSSA-N 1 2 281.238 -1.973 20 0 CAADLO CC(=O)c1ccnc(C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)c1 ZINC001184866571 781772190 /nfs/dbraw/zinc/77/21/90/781772190.db2.gz DSFIZIGVHICKGZ-SRVKXCTJSA-N 1 2 290.327 -1.583 20 0 CAADLO CC(=O)c1ccnc(C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@@H]32)c1 ZINC001184866569 781772214 /nfs/dbraw/zinc/77/22/14/781772214.db2.gz DSFIZIGVHICKGZ-GRYCIOLGSA-N 1 2 290.327 -1.583 20 0 CAADLO CN1CC[N@H+](C)C[C@@H]1C(=O)NCCS(C)(=O)=O ZINC001185243783 781775017 /nfs/dbraw/zinc/77/50/17/781775017.db2.gz IOUZCFCSYDYJKA-SECBINFHSA-N 1 2 263.363 -1.607 20 0 CAADLO CN1CC[N@@H+](C)C[C@@H]1C(=O)NCCS(C)(=O)=O ZINC001185243783 781775025 /nfs/dbraw/zinc/77/50/25/781775025.db2.gz IOUZCFCSYDYJKA-SECBINFHSA-N 1 2 263.363 -1.607 20 0 CAADLO CN1CC[N@H+](C)C[C@@H]1C(=O)Nc1c(N)c(=O)c1=O ZINC001185245413 781777077 /nfs/dbraw/zinc/77/70/77/781777077.db2.gz VNOAAHPNGPQCOB-ZCFIWIBFSA-N 1 2 252.274 -1.951 20 0 CAADLO CN1CC[N@@H+](C)C[C@@H]1C(=O)Nc1c(N)c(=O)c1=O ZINC001185245413 781777085 /nfs/dbraw/zinc/77/70/85/781777085.db2.gz VNOAAHPNGPQCOB-ZCFIWIBFSA-N 1 2 252.274 -1.951 20 0 CAADLO C[N@H+](Cc1ccccc1)[C@@H](CO)C(=O)N[C@@H](CO)C(N)=O ZINC001185234799 781781609 /nfs/dbraw/zinc/78/16/09/781781609.db2.gz DGZFFBDFMXQQAN-RYUDHWBXSA-N 1 2 295.339 -1.558 20 0 CAADLO C[N@@H+](Cc1ccccc1)[C@@H](CO)C(=O)N[C@@H](CO)C(N)=O ZINC001185234799 781781618 /nfs/dbraw/zinc/78/16/18/781781618.db2.gz DGZFFBDFMXQQAN-RYUDHWBXSA-N 1 2 295.339 -1.558 20 0 CAADLO C[N@H+](Cc1ccccc1)[C@@H](CO)C(=O)N[C@H](CO)C(N)=O ZINC001185234798 781781818 /nfs/dbraw/zinc/78/18/18/781781818.db2.gz DGZFFBDFMXQQAN-NEPJUHHUSA-N 1 2 295.339 -1.558 20 0 CAADLO C[N@@H+](Cc1ccccc1)[C@@H](CO)C(=O)N[C@H](CO)C(N)=O ZINC001185234798 781781824 /nfs/dbraw/zinc/78/18/24/781781824.db2.gz DGZFFBDFMXQQAN-NEPJUHHUSA-N 1 2 295.339 -1.558 20 0 CAADLO C[C@H]1CN(C(=O)Cc2ncn[nH]2)CC[C@@H]1C[NH2+]CC(N)=O ZINC001185460669 781785414 /nfs/dbraw/zinc/78/54/14/781785414.db2.gz URNAXMUKDWZLRA-VHSXEESVSA-N 1 2 294.359 -1.093 20 0 CAADLO C[C@@H]1CN(C(=O)Cc2ncn[nH]2)CC[C@H]1C[NH2+]CC(N)=O ZINC001185460670 781785637 /nfs/dbraw/zinc/78/56/37/781785637.db2.gz URNAXMUKDWZLRA-ZJUUUORDSA-N 1 2 294.359 -1.093 20 0 CAADLO CCOC(=O)N[C@@H](CC(N)=O)C(=O)NCCn1cc[nH+]c1 ZINC001185859411 781790453 /nfs/dbraw/zinc/79/04/53/781790453.db2.gz VHPOBHDUUCJVHG-VIFPVBQESA-N 1 2 297.315 -1.011 20 0 CAADLO Nc1[nH]c(=O)[nH]c(=O)c1NC(=O)C[N@@H+]1CC[C@@H](O)C1 ZINC001186034146 781790944 /nfs/dbraw/zinc/79/09/44/781790944.db2.gz PEOSBARFJNNVOF-RXMQYKEDSA-N 1 2 269.261 -1.525 20 0 CAADLO Nc1[nH]c(=O)[nH]c(=O)c1NC(=O)C[N@H+]1CC[C@@H](O)C1 ZINC001186034146 781790955 /nfs/dbraw/zinc/79/09/55/781790955.db2.gz PEOSBARFJNNVOF-RXMQYKEDSA-N 1 2 269.261 -1.525 20 0 CAADLO Nc1[nH]c(=O)[nH]c(=O)c1NC(=O)C[N@@H+]1CC[C@H](O)C1 ZINC001186034147 781791534 /nfs/dbraw/zinc/79/15/34/781791534.db2.gz PEOSBARFJNNVOF-YFKPBYRVSA-N 1 2 269.261 -1.525 20 0 CAADLO Nc1[nH]c(=O)[nH]c(=O)c1NC(=O)C[N@H+]1CC[C@H](O)C1 ZINC001186034147 781791537 /nfs/dbraw/zinc/79/15/37/781791537.db2.gz PEOSBARFJNNVOF-YFKPBYRVSA-N 1 2 269.261 -1.525 20 0 CAADLO O=C(C[N@H+]1CC[C@H](O)C1)Nc1ncnc2n[nH]nc21 ZINC001186034198 781791898 /nfs/dbraw/zinc/79/18/98/781791898.db2.gz QBZBEQQBSMACFL-LURJTMIESA-N 1 2 263.261 -1.247 20 0 CAADLO O=C(C[N@@H+]1CC[C@H](O)C1)Nc1ncnc2n[nH]nc21 ZINC001186034198 781791906 /nfs/dbraw/zinc/79/19/06/781791906.db2.gz QBZBEQQBSMACFL-LURJTMIESA-N 1 2 263.261 -1.247 20 0 CAADLO O=C(C[N@H+]1CC[C@@H](O)C1)N[C@H]1CCC(=O)NC1=O ZINC001186049095 781796170 /nfs/dbraw/zinc/79/61/70/781796170.db2.gz JZNDHDZLYDLDKO-SFYZADRCSA-N 1 2 255.274 -2.026 20 0 CAADLO O=C(C[N@@H+]1CC[C@@H](O)C1)N[C@H]1CCC(=O)NC1=O ZINC001186049095 781796175 /nfs/dbraw/zinc/79/61/75/781796175.db2.gz JZNDHDZLYDLDKO-SFYZADRCSA-N 1 2 255.274 -2.026 20 0 CAADLO CCOC(=O)c1nnc(CNC(=O)C[N@@H+]2CC[C@H](O)C2)o1 ZINC001186051399 781796418 /nfs/dbraw/zinc/79/64/18/781796418.db2.gz ZBYXYYITVJLIQS-QMMMGPOBSA-N 1 2 298.299 -1.071 20 0 CAADLO CCOC(=O)c1nnc(CNC(=O)C[N@H+]2CC[C@H](O)C2)o1 ZINC001186051399 781796427 /nfs/dbraw/zinc/79/64/27/781796427.db2.gz ZBYXYYITVJLIQS-QMMMGPOBSA-N 1 2 298.299 -1.071 20 0 CAADLO O=C(C[N@H+]1CC[C@H](O)C1)N[C@@H]1COCCC12OCCO2 ZINC001186048364 781797027 /nfs/dbraw/zinc/79/70/27/781797027.db2.gz GQXVBVACOBWGLQ-WDEREUQCSA-N 1 2 286.328 -1.299 20 0 CAADLO O=C(C[N@@H+]1CC[C@H](O)C1)N[C@@H]1COCCC12OCCO2 ZINC001186048364 781797035 /nfs/dbraw/zinc/79/70/35/781797035.db2.gz GQXVBVACOBWGLQ-WDEREUQCSA-N 1 2 286.328 -1.299 20 0 CAADLO Nc1cn(C(=O)C[N@@H+]2CC[C@@H](O)C2)c(N)nc1=O ZINC001186058719 781799350 /nfs/dbraw/zinc/79/93/50/781799350.db2.gz WJZAMDGURRBSSG-ZCFIWIBFSA-N 1 2 253.262 -1.643 20 0 CAADLO Nc1cn(C(=O)C[N@H+]2CC[C@@H](O)C2)c(N)nc1=O ZINC001186058719 781799357 /nfs/dbraw/zinc/79/93/57/781799357.db2.gz WJZAMDGURRBSSG-ZCFIWIBFSA-N 1 2 253.262 -1.643 20 0 CAADLO COC(=O)CC[C@H](NC(=O)C[N@@H+]1CC[C@@H](O)C1)C(N)=O ZINC001186057404 781799646 /nfs/dbraw/zinc/79/96/46/781799646.db2.gz KWPKLXVUKRWREK-BDAKNGLRSA-N 1 2 287.316 -2.024 20 0 CAADLO COC(=O)CC[C@H](NC(=O)C[N@H+]1CC[C@@H](O)C1)C(N)=O ZINC001186057404 781799650 /nfs/dbraw/zinc/79/96/50/781799650.db2.gz KWPKLXVUKRWREK-BDAKNGLRSA-N 1 2 287.316 -2.024 20 0 CAADLO COC(=O)[C@H]1CC[N@H+](CC(=O)NCC(=O)CCO)C1 ZINC001186115487 781800912 /nfs/dbraw/zinc/80/09/12/781800912.db2.gz AHVLITVRHQGPHP-VIFPVBQESA-N 1 2 272.301 -1.451 20 0 CAADLO COC(=O)[C@H]1CC[N@@H+](CC(=O)NCC(=O)CCO)C1 ZINC001186115487 781800920 /nfs/dbraw/zinc/80/09/20/781800920.db2.gz AHVLITVRHQGPHP-VIFPVBQESA-N 1 2 272.301 -1.451 20 0 CAADLO COC(=O)[C@H]1CC[N@H+](CC(=O)N[C@@H](CO)C(N)=O)C1 ZINC001186115614 781802400 /nfs/dbraw/zinc/80/24/00/781802400.db2.gz GAEXFCUEYKQFAN-YUMQZZPRSA-N 1 2 273.289 -2.556 20 0 CAADLO COC(=O)[C@H]1CC[N@@H+](CC(=O)N[C@@H](CO)C(N)=O)C1 ZINC001186115614 781802410 /nfs/dbraw/zinc/80/24/10/781802410.db2.gz GAEXFCUEYKQFAN-YUMQZZPRSA-N 1 2 273.289 -2.556 20 0 CAADLO [NH3+][C@@H]1NCN(C(=O)c2ccc(O)c(F)c2)[C@H]2NCN[C@H]21 ZINC001186241936 781803653 /nfs/dbraw/zinc/80/36/53/781803653.db2.gz GFOXDGPZHOMFQR-HBNTYKKESA-N 1 2 281.291 -1.336 20 0 CAADLO [NH3+][C@@H]1NCN(C(=O)c2ccc(O)cc2F)[C@@H]2NCN[C@H]21 ZINC001186348006 781804163 /nfs/dbraw/zinc/80/41/63/781804163.db2.gz GPMMEXWCZGRUDG-AXFHLTTASA-N 1 2 281.291 -1.336 20 0 CAADLO CC(=O)N[C@@H](CO)C(=O)NCC(=O)NCCn1cc[nH+]c1 ZINC001186586804 781807174 /nfs/dbraw/zinc/80/71/74/781807174.db2.gz FWVZQVNSBAQOBJ-JTQLQIEISA-N 1 2 297.315 -2.388 20 0 CAADLO NC(=O)NC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)C(F)F)[C@@H]2C1 ZINC001186628788 781808897 /nfs/dbraw/zinc/80/88/97/781808897.db2.gz AAOLFWDOCGMMOP-NKWVEPMBSA-N 1 2 290.270 -1.021 20 0 CAADLO NC(=O)NC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)C(F)F)[C@@H]2C1 ZINC001186628788 781808902 /nfs/dbraw/zinc/80/89/02/781808902.db2.gz AAOLFWDOCGMMOP-NKWVEPMBSA-N 1 2 290.270 -1.021 20 0 CAADLO CC(=O)N[C@@H](CO)C(=O)NCC(=O)NC1C[NH+](C)C1 ZINC001186603794 781809946 /nfs/dbraw/zinc/80/99/46/781809946.db2.gz JLEJXANQKJACEI-VIFPVBQESA-N 1 2 272.305 -2.970 20 0 CAADLO COC[C@@H](C(=O)OC)N1C(=O)COCC12C[NH+](C)C2 ZINC001273524814 781810846 /nfs/dbraw/zinc/81/08/46/781810846.db2.gz JHSYXJSCEGBLBL-VIFPVBQESA-N 1 2 272.301 -1.283 20 0 CAADLO [NH3+][C@@H]1NCN(C(=O)CN2CCC(=O)C2)[C@H]2NCN[C@@H]21 ZINC001187337296 781819380 /nfs/dbraw/zinc/81/93/80/781819380.db2.gz KSIWUUKNJDLQOX-GMTAPVOTSA-N 1 2 268.321 -3.220 20 0 CAADLO C[C@H](C[NH+]1CCOCC1)NC(=O)C[C@@H]1NC(=O)NC1=O ZINC000270691112 781819781 /nfs/dbraw/zinc/81/97/81/781819781.db2.gz HLFATMIRQPJTRJ-BDAKNGLRSA-N 1 2 284.316 -1.579 20 0 CAADLO Cc1c[nH]c(CCNC(=O)CNC(=O)[C@@H]2CCC(=O)N2)[nH+]1 ZINC001187524235 781824052 /nfs/dbraw/zinc/82/40/52/781824052.db2.gz HXBKVDUQUPCSGV-VIFPVBQESA-N 1 2 293.327 -1.228 20 0 CAADLO C[N@@H+]1CCO[C@H](CNC(=O)CNC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001187521147 781824375 /nfs/dbraw/zinc/82/43/75/781824375.db2.gz RTNUZWRTFOZGTF-ZJUUUORDSA-N 1 2 298.343 -2.172 20 0 CAADLO C[N@H+]1CCO[C@H](CNC(=O)CNC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001187521147 781824382 /nfs/dbraw/zinc/82/43/82/781824382.db2.gz RTNUZWRTFOZGTF-ZJUUUORDSA-N 1 2 298.343 -2.172 20 0 CAADLO Cn1cc[nH+]c1CCNC(=O)CNC(=O)[C@@H]1CCC(=O)N1 ZINC001187528029 781825506 /nfs/dbraw/zinc/82/55/06/781825506.db2.gz QMOABKUTHANSGO-VIFPVBQESA-N 1 2 293.327 -1.526 20 0 CAADLO C[NH+]1CC(NC(=O)CNC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001187524775 781825959 /nfs/dbraw/zinc/82/59/59/781825959.db2.gz UYCGGJLHGSWNQT-QMMMGPOBSA-N 1 2 254.290 -2.189 20 0 CAADLO Cn1ncc2c1nc[nH+]c2N1CC2(C1)NC(=O)NC2=O ZINC001187889562 781832182 /nfs/dbraw/zinc/83/21/82/781832182.db2.gz VXAVPIYHPHCSLG-UHFFFAOYSA-N 1 2 273.256 -1.239 20 0 CAADLO COC(=O)CCS(=O)(=O)N1CC[NH+](CCCO)CC1 ZINC001188361774 781838767 /nfs/dbraw/zinc/83/87/67/781838767.db2.gz GIAFBXBPZGRYLN-UHFFFAOYSA-N 1 2 294.373 -1.121 20 0 CAADLO CCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)C(N)=O)[C@@H]2C1 ZINC001188985960 781849865 /nfs/dbraw/zinc/84/98/65/781849865.db2.gz YHRJULOVDNONQK-DTWKUNHWSA-N 1 2 268.317 -1.860 20 0 CAADLO CCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)C(N)=O)[C@@H]2C1 ZINC001188985960 781849876 /nfs/dbraw/zinc/84/98/76/781849876.db2.gz YHRJULOVDNONQK-DTWKUNHWSA-N 1 2 268.317 -1.860 20 0 CAADLO COC[C@@H](OC)C(=O)N1CC[C@H]2C[N@H+](CC(N)=O)C[C@H]21 ZINC001189092984 781851658 /nfs/dbraw/zinc/85/16/58/781851658.db2.gz HSBDIRNIZUJMSL-HBNTYKKESA-N 1 2 285.344 -1.334 20 0 CAADLO COC[C@@H](OC)C(=O)N1CC[C@H]2C[N@@H+](CC(N)=O)C[C@H]21 ZINC001189092984 781851664 /nfs/dbraw/zinc/85/16/64/781851664.db2.gz HSBDIRNIZUJMSL-HBNTYKKESA-N 1 2 285.344 -1.334 20 0 CAADLO Cn1c(=O)cc(C(=O)NCCn2cc[nH+]c2)n(C)c1=O ZINC001189419312 781855306 /nfs/dbraw/zinc/85/53/06/781855306.db2.gz FKUOFTQOZMAVCT-UHFFFAOYSA-N 1 2 277.284 -1.290 20 0 CAADLO Cn1c(=O)cc(C(=O)NC[C@@H]2C[N@H+](C)CCO2)n(C)c1=O ZINC001189436885 781856234 /nfs/dbraw/zinc/85/62/34/781856234.db2.gz ITHZEKUZFKXGLH-SECBINFHSA-N 1 2 296.327 -1.856 20 0 CAADLO Cn1c(=O)cc(C(=O)NC[C@@H]2C[N@@H+](C)CCO2)n(C)c1=O ZINC001189436885 781856248 /nfs/dbraw/zinc/85/62/48/781856248.db2.gz ITHZEKUZFKXGLH-SECBINFHSA-N 1 2 296.327 -1.856 20 0 CAADLO COC(=O)[C@H]1C[N@H+](C)CCN1C(=O)c1ccc(=O)n(C)n1 ZINC001189490903 781859572 /nfs/dbraw/zinc/85/95/72/781859572.db2.gz UDWPVTTYSCHSSR-SNVBAGLBSA-N 1 2 294.311 -1.291 20 0 CAADLO COC(=O)[C@H]1C[N@@H+](C)CCN1C(=O)c1ccc(=O)n(C)n1 ZINC001189490903 781859581 /nfs/dbraw/zinc/85/95/81/781859581.db2.gz UDWPVTTYSCHSSR-SNVBAGLBSA-N 1 2 294.311 -1.291 20 0 CAADLO COC(=O)[C@@H]1C[N@H+](C)CCN1C(=O)c1ccc(=O)n(C)n1 ZINC001189490902 781860123 /nfs/dbraw/zinc/86/01/23/781860123.db2.gz UDWPVTTYSCHSSR-JTQLQIEISA-N 1 2 294.311 -1.291 20 0 CAADLO COC(=O)[C@@H]1C[N@@H+](C)CCN1C(=O)c1ccc(=O)n(C)n1 ZINC001189490902 781860130 /nfs/dbraw/zinc/86/01/30/781860130.db2.gz UDWPVTTYSCHSSR-JTQLQIEISA-N 1 2 294.311 -1.291 20 0 CAADLO NC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)C(=O)NCC3CC3)[C@@H]2C1 ZINC001189568146 781861383 /nfs/dbraw/zinc/86/13/83/781861383.db2.gz AMVOZRKCLFUEMM-WDEREUQCSA-N 1 2 294.355 -1.469 20 0 CAADLO NC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)C(=O)NCC3CC3)[C@@H]2C1 ZINC001189568146 781861388 /nfs/dbraw/zinc/86/13/88/781861388.db2.gz AMVOZRKCLFUEMM-WDEREUQCSA-N 1 2 294.355 -1.469 20 0 CAADLO CCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC(=O)NC)C[C@H]1O ZINC001190561935 781874931 /nfs/dbraw/zinc/87/49/31/781874931.db2.gz STRAWPZROMJWHA-DJLDLDEBSA-N 1 2 286.332 -1.598 20 0 CAADLO CCC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)NC(=O)NC)C[C@H]1O ZINC001190561935 781874938 /nfs/dbraw/zinc/87/49/38/781874938.db2.gz STRAWPZROMJWHA-DJLDLDEBSA-N 1 2 286.332 -1.598 20 0 CAADLO CC(=O)N[C@@H]1C[N@H+](CCNS(C)(=O)=O)C[C@H]1O ZINC001190573208 781875888 /nfs/dbraw/zinc/87/58/88/781875888.db2.gz MRFOVGVAWCVCCF-RKDXNWHRSA-N 1 2 265.335 -2.283 20 0 CAADLO CC(=O)N[C@@H]1C[N@@H+](CCNS(C)(=O)=O)C[C@H]1O ZINC001190573208 781875898 /nfs/dbraw/zinc/87/58/98/781875898.db2.gz MRFOVGVAWCVCCF-RKDXNWHRSA-N 1 2 265.335 -2.283 20 0 CAADLO COCCC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCCC2)C[C@H]1O ZINC001190609881 781878431 /nfs/dbraw/zinc/87/84/31/781878431.db2.gz KEVYEHMDONFHPL-VXGBXAGGSA-N 1 2 299.371 -1.193 20 0 CAADLO COCCC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCCC2)C[C@H]1O ZINC001190609881 781878441 /nfs/dbraw/zinc/87/84/41/781878441.db2.gz KEVYEHMDONFHPL-VXGBXAGGSA-N 1 2 299.371 -1.193 20 0 CAADLO COCCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)N(C)C)C[C@H]1O ZINC001190602533 781878650 /nfs/dbraw/zinc/87/86/50/781878650.db2.gz YYCRPPCXPRGOQC-HBNTYKKESA-N 1 2 287.360 -1.339 20 0 CAADLO COCCC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)N(C)C)C[C@H]1O ZINC001190602533 781878654 /nfs/dbraw/zinc/87/86/54/781878654.db2.gz YYCRPPCXPRGOQC-HBNTYKKESA-N 1 2 287.360 -1.339 20 0 CAADLO COCC(=O)N[C@@H]1CN(Cc2c[nH+]cn2C)C[C@H]1O ZINC001190588518 781878810 /nfs/dbraw/zinc/87/88/10/781878810.db2.gz YYFVISFGKBQVNJ-GHMZBOCLSA-N 1 2 268.317 -1.272 20 0 CAADLO COCCC(=O)N[C@@H]1C[N@@H+]([C@H]2CCN(C)C2=O)C[C@H]1O ZINC001190609200 781879005 /nfs/dbraw/zinc/87/90/05/781879005.db2.gz BFYUEUUZGWGCKD-OUAUKWLOSA-N 1 2 285.344 -1.585 20 0 CAADLO COCCC(=O)N[C@@H]1C[N@H+]([C@H]2CCN(C)C2=O)C[C@H]1O ZINC001190609200 781879019 /nfs/dbraw/zinc/87/90/19/781879019.db2.gz BFYUEUUZGWGCKD-OUAUKWLOSA-N 1 2 285.344 -1.585 20 0 CAADLO CS(=O)(=O)NCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2CC2)C1 ZINC001190593168 781879074 /nfs/dbraw/zinc/87/90/74/781879074.db2.gz IVKAJZJRBHIVLD-NXEZZACHSA-N 1 2 291.373 -1.893 20 0 CAADLO CS(=O)(=O)NCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C2CC2)C1 ZINC001190593168 781879083 /nfs/dbraw/zinc/87/90/83/781879083.db2.gz IVKAJZJRBHIVLD-NXEZZACHSA-N 1 2 291.373 -1.893 20 0 CAADLO COCC(=O)N[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@H]1O ZINC001190594913 781879434 /nfs/dbraw/zinc/87/94/34/781879434.db2.gz YKBRDRAIYAXUGL-HRDYMLBCSA-N 1 2 257.290 -2.317 20 0 CAADLO COCC(=O)N[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@H]1O ZINC001190594913 781879445 /nfs/dbraw/zinc/87/94/45/781879445.db2.gz YKBRDRAIYAXUGL-HRDYMLBCSA-N 1 2 257.290 -2.317 20 0 CAADLO COCCC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1O ZINC001190633721 781880358 /nfs/dbraw/zinc/88/03/58/781880358.db2.gz KORAKSYYACBPGY-OPRDCNLKSA-N 1 2 299.327 -2.011 20 0 CAADLO COCCC(=O)N[C@@H]1C[N@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1O ZINC001190633721 781880367 /nfs/dbraw/zinc/88/03/67/781880367.db2.gz KORAKSYYACBPGY-OPRDCNLKSA-N 1 2 299.327 -2.011 20 0 CAADLO COCC(=O)N[C@@H]1C[N@H+](CCNC(=O)C2CC2)C[C@H]1O ZINC001190645239 781880445 /nfs/dbraw/zinc/88/04/45/781880445.db2.gz JEKUJBXNYXDXJW-GHMZBOCLSA-N 1 2 285.344 -1.680 20 0 CAADLO COCC(=O)N[C@@H]1C[N@@H+](CCNC(=O)C2CC2)C[C@H]1O ZINC001190645239 781880453 /nfs/dbraw/zinc/88/04/53/781880453.db2.gz JEKUJBXNYXDXJW-GHMZBOCLSA-N 1 2 285.344 -1.680 20 0 CAADLO CCCC[C@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)COC)C1 ZINC001190645133 781881252 /nfs/dbraw/zinc/88/12/52/781881252.db2.gz GFWMYIQJVSHDMG-GMTAPVOTSA-N 1 2 287.360 -1.162 20 0 CAADLO CCCC[C@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)COC)C1 ZINC001190645133 781881258 /nfs/dbraw/zinc/88/12/58/781881258.db2.gz GFWMYIQJVSHDMG-GMTAPVOTSA-N 1 2 287.360 -1.162 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCOC)C1 ZINC001190639953 781881275 /nfs/dbraw/zinc/88/12/75/781881275.db2.gz XAWBWOLHHKQAEA-OPRDCNLKSA-N 1 2 273.333 -1.681 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCOC)C1 ZINC001190639953 781881281 /nfs/dbraw/zinc/88/12/81/781881281.db2.gz XAWBWOLHHKQAEA-OPRDCNLKSA-N 1 2 273.333 -1.681 20 0 CAADLO COCCC(=O)N[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]1O ZINC001190633277 781881308 /nfs/dbraw/zinc/88/13/08/781881308.db2.gz GKBPIIQESPFYPS-NXEZZACHSA-N 1 2 273.333 -1.728 20 0 CAADLO COCCC(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1O ZINC001190633277 781881314 /nfs/dbraw/zinc/88/13/14/781881314.db2.gz GKBPIIQESPFYPS-NXEZZACHSA-N 1 2 273.333 -1.728 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCOC)C1 ZINC001190639952 781881440 /nfs/dbraw/zinc/88/14/40/781881440.db2.gz XAWBWOLHHKQAEA-IVZWLZJFSA-N 1 2 273.333 -1.681 20 0 CAADLO CNC(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCOC)C1 ZINC001190639952 781881448 /nfs/dbraw/zinc/88/14/48/781881448.db2.gz XAWBWOLHHKQAEA-IVZWLZJFSA-N 1 2 273.333 -1.681 20 0 CAADLO CC(=O)NCC(=O)N[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]1O ZINC001190709065 781882277 /nfs/dbraw/zinc/88/22/77/781882277.db2.gz CIIWNBOXGVIDOZ-NXEZZACHSA-N 1 2 286.332 -2.628 20 0 CAADLO CC(=O)NCC(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1O ZINC001190709065 781882286 /nfs/dbraw/zinc/88/22/86/781882286.db2.gz CIIWNBOXGVIDOZ-NXEZZACHSA-N 1 2 286.332 -2.628 20 0 CAADLO CCCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)COC)C1 ZINC001190652037 781882305 /nfs/dbraw/zinc/88/23/05/781882305.db2.gz UGEVDMRPNHNYRE-GMTAPVOTSA-N 1 2 287.360 -1.291 20 0 CAADLO CCCNC(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)COC)C1 ZINC001190652037 781882312 /nfs/dbraw/zinc/88/23/12/781882312.db2.gz UGEVDMRPNHNYRE-GMTAPVOTSA-N 1 2 287.360 -1.291 20 0 CAADLO COCC(=O)N[C@@H]1C[N@@H+]([C@H]2CCN(C(C)C)C2=O)C[C@H]1O ZINC001190646014 781883530 /nfs/dbraw/zinc/88/35/30/781883530.db2.gz VILKUHAXLSGCGJ-GRYCIOLGSA-N 1 2 299.371 -1.197 20 0 CAADLO COCC(=O)N[C@@H]1C[N@H+]([C@H]2CCN(C(C)C)C2=O)C[C@H]1O ZINC001190646014 781883536 /nfs/dbraw/zinc/88/35/36/781883536.db2.gz VILKUHAXLSGCGJ-GRYCIOLGSA-N 1 2 299.371 -1.197 20 0 CAADLO CC(=O)NCC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCCNC2=O)C[C@H]1O ZINC001190709125 781883898 /nfs/dbraw/zinc/88/38/98/781883898.db2.gz DEXMTMRSSKZYNO-GMTAPVOTSA-N 1 2 298.343 -2.438 20 0 CAADLO CC(=O)NCC(=O)N[C@@H]1C[N@H+]([C@@H]2CCCNC2=O)C[C@H]1O ZINC001190709125 781883906 /nfs/dbraw/zinc/88/39/06/781883906.db2.gz DEXMTMRSSKZYNO-GMTAPVOTSA-N 1 2 298.343 -2.438 20 0 CAADLO CCCC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)NC(N)=O)C[C@H]1O ZINC001190735092 781887218 /nfs/dbraw/zinc/88/72/18/781887218.db2.gz SFZFGTUISVXXRO-IWSPIJDZSA-N 1 2 286.332 -1.469 20 0 CAADLO CCCC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)NC(N)=O)C[C@H]1O ZINC001190735092 781887223 /nfs/dbraw/zinc/88/72/23/781887223.db2.gz SFZFGTUISVXXRO-IWSPIJDZSA-N 1 2 286.332 -1.469 20 0 CAADLO CC(C)CC(=O)N[C@@H]1C[N@@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1O ZINC001190795379 781888289 /nfs/dbraw/zinc/88/82/89/781888289.db2.gz RMWFZRJGUUFYLN-OUAUKWLOSA-N 1 2 297.355 -1.001 20 0 CAADLO CC(C)CC(=O)N[C@@H]1C[N@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1O ZINC001190795379 781888296 /nfs/dbraw/zinc/88/82/96/781888296.db2.gz RMWFZRJGUUFYLN-OUAUKWLOSA-N 1 2 297.355 -1.001 20 0 CAADLO CCOCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC2CC2)C[C@H]1O ZINC001190830209 781889581 /nfs/dbraw/zinc/88/95/81/781889581.db2.gz ADFSWVPBAJZNIE-MVWJERBFSA-N 1 2 299.371 -1.149 20 0 CAADLO CCOCC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)NC2CC2)C[C@H]1O ZINC001190830209 781889589 /nfs/dbraw/zinc/88/95/89/781889589.db2.gz ADFSWVPBAJZNIE-MVWJERBFSA-N 1 2 299.371 -1.149 20 0 CAADLO CCN(C)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCO2)C1 ZINC001190785423 781889630 /nfs/dbraw/zinc/88/96/30/781889630.db2.gz BUTXVCCXGXCYCV-UTUOFQBUSA-N 1 2 299.371 -1.195 20 0 CAADLO CCN(C)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCO2)C1 ZINC001190785423 781889635 /nfs/dbraw/zinc/88/96/35/781889635.db2.gz BUTXVCCXGXCYCV-UTUOFQBUSA-N 1 2 299.371 -1.195 20 0 CAADLO CSCC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCCNC2=O)C[C@H]1O ZINC001190886647 781891369 /nfs/dbraw/zinc/89/13/69/781891369.db2.gz JEEFFGSHYMQPEZ-OPRDCNLKSA-N 1 2 287.385 -1.211 20 0 CAADLO CSCC(=O)N[C@@H]1C[N@H+]([C@@H]2CCCNC2=O)C[C@H]1O ZINC001190886647 781891377 /nfs/dbraw/zinc/89/13/77/781891377.db2.gz JEEFFGSHYMQPEZ-OPRDCNLKSA-N 1 2 287.385 -1.211 20 0 CAADLO CCOCC(=O)N[C@@H]1C[N@H+](CCNC(=O)C2CC2)C[C@H]1O ZINC001190860018 781891424 /nfs/dbraw/zinc/89/14/24/781891424.db2.gz MJFZWRWUYCTQHT-VXGBXAGGSA-N 1 2 299.371 -1.290 20 0 CAADLO CCOCC(=O)N[C@@H]1C[N@@H+](CCNC(=O)C2CC2)C[C@H]1O ZINC001190860018 781891432 /nfs/dbraw/zinc/89/14/32/781891432.db2.gz MJFZWRWUYCTQHT-VXGBXAGGSA-N 1 2 299.371 -1.290 20 0 CAADLO CCOCC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCCNC2=O)C[C@H]1O ZINC001190850805 781892030 /nfs/dbraw/zinc/89/20/30/781892030.db2.gz AZLMDIRTYDPWQF-GMTAPVOTSA-N 1 2 285.344 -1.537 20 0 CAADLO CCOCC(=O)N[C@@H]1C[N@H+]([C@@H]2CCCNC2=O)C[C@H]1O ZINC001190850805 781892038 /nfs/dbraw/zinc/89/20/38/781892038.db2.gz AZLMDIRTYDPWQF-GMTAPVOTSA-N 1 2 285.344 -1.537 20 0 CAADLO CSCCC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@H]1O ZINC001190961480 781892703 /nfs/dbraw/zinc/89/27/03/781892703.db2.gz LPOUEDSLXJLZNU-OPRDCNLKSA-N 1 2 287.385 -1.211 20 0 CAADLO CSCCC(=O)N[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@H]1O ZINC001190961480 781892714 /nfs/dbraw/zinc/89/27/14/781892714.db2.gz LPOUEDSLXJLZNU-OPRDCNLKSA-N 1 2 287.385 -1.211 20 0 CAADLO CC[C@@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CSC)C1 ZINC001190914590 781893014 /nfs/dbraw/zinc/89/30/14/781893014.db2.gz VXXCIVFDUIKRNP-HRDYMLBCSA-N 1 2 275.374 -1.225 20 0 CAADLO CC[C@@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)CSC)C1 ZINC001190914590 781893025 /nfs/dbraw/zinc/89/30/25/781893025.db2.gz VXXCIVFDUIKRNP-HRDYMLBCSA-N 1 2 275.374 -1.225 20 0 CAADLO NC(=O)NCC(=O)N[C@@H]1C[N@H+](C/C=C\Cl)C[C@H]1O ZINC001190977796 781894673 /nfs/dbraw/zinc/89/46/73/781894673.db2.gz NGQRXIPMJSDCPV-LQKKCHKWSA-N 1 2 276.724 -1.432 20 0 CAADLO NC(=O)NCC(=O)N[C@@H]1C[N@@H+](C/C=C\Cl)C[C@H]1O ZINC001190977796 781894681 /nfs/dbraw/zinc/89/46/81/781894681.db2.gz NGQRXIPMJSDCPV-LQKKCHKWSA-N 1 2 276.724 -1.432 20 0 CAADLO NC(=O)NCC(=O)N[C@@H]1C[N@H+](C/C=C/Cl)C[C@H]1O ZINC001190977797 781895726 /nfs/dbraw/zinc/89/57/26/781895726.db2.gz NGQRXIPMJSDCPV-XLNBVVSQSA-N 1 2 276.724 -1.432 20 0 CAADLO NC(=O)NCC(=O)N[C@@H]1C[N@@H+](C/C=C/Cl)C[C@H]1O ZINC001190977797 781895739 /nfs/dbraw/zinc/89/57/39/781895739.db2.gz NGQRXIPMJSDCPV-XLNBVVSQSA-N 1 2 276.724 -1.432 20 0 CAADLO Cc1nocc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CNC(N)=O)C1 ZINC001190952401 781896851 /nfs/dbraw/zinc/89/68/51/781896851.db2.gz JAZDYPFTEFLZSK-NXEZZACHSA-N 1 2 297.315 -1.687 20 0 CAADLO Cc1nocc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)CNC(N)=O)C1 ZINC001190952401 781896853 /nfs/dbraw/zinc/89/68/53/781896853.db2.gz JAZDYPFTEFLZSK-NXEZZACHSA-N 1 2 297.315 -1.687 20 0 CAADLO Cn1nccc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CNC(N)=O)C1 ZINC001190952384 781897281 /nfs/dbraw/zinc/89/72/81/781897281.db2.gz HLBJVNLUUCYEAD-NXEZZACHSA-N 1 2 296.331 -2.250 20 0 CAADLO Cn1nccc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)CNC(N)=O)C1 ZINC001190952384 781897288 /nfs/dbraw/zinc/89/72/88/781897288.db2.gz HLBJVNLUUCYEAD-NXEZZACHSA-N 1 2 296.331 -2.250 20 0 CAADLO NC(=O)NCC(=O)N[C@@H]1C[N@H+](Cc2ccccn2)C[C@H]1O ZINC001190952808 781897574 /nfs/dbraw/zinc/89/75/74/781897574.db2.gz QAIUAPLHAUKSFA-GHMZBOCLSA-N 1 2 293.327 -1.589 20 0 CAADLO NC(=O)NCC(=O)N[C@@H]1C[N@@H+](Cc2ccccn2)C[C@H]1O ZINC001190952808 781897584 /nfs/dbraw/zinc/89/75/84/781897584.db2.gz QAIUAPLHAUKSFA-GHMZBOCLSA-N 1 2 293.327 -1.589 20 0 CAADLO Cn1c[nH+]cc1CN1C[C@@H](O)[C@H](NC(=O)CNC(N)=O)C1 ZINC001190953059 781897607 /nfs/dbraw/zinc/89/76/07/781897607.db2.gz XRSIFRKWEPSVMI-NXEZZACHSA-N 1 2 296.331 -2.250 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCn2cncn2)C1 ZINC001191120656 781899000 /nfs/dbraw/zinc/89/90/00/781899000.db2.gz GRSHXIQZIKLOKM-IVZWLZJFSA-N 1 2 296.331 -2.297 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCn2cncn2)C1 ZINC001191120656 781899011 /nfs/dbraw/zinc/89/90/11/781899011.db2.gz GRSHXIQZIKLOKM-IVZWLZJFSA-N 1 2 296.331 -2.297 20 0 CAADLO CC(C)OCCC(=O)N[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@H]1O ZINC001191218106 781901486 /nfs/dbraw/zinc/90/14/86/781901486.db2.gz RYBMULZUUIIHAP-GRYCIOLGSA-N 1 2 299.371 -1.149 20 0 CAADLO CC(C)OCCC(=O)N[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@H]1O ZINC001191218106 781901493 /nfs/dbraw/zinc/90/14/93/781901493.db2.gz RYBMULZUUIIHAP-GRYCIOLGSA-N 1 2 299.371 -1.149 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCOC)C1 ZINC001191335370 781903929 /nfs/dbraw/zinc/90/39/29/781903929.db2.gz OVRDTZTVSQVXDN-GMTAPVOTSA-N 1 2 287.360 -1.291 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCOC)C1 ZINC001191335370 781903933 /nfs/dbraw/zinc/90/39/33/781903933.db2.gz OVRDTZTVSQVXDN-GMTAPVOTSA-N 1 2 287.360 -1.291 20 0 CAADLO CCNC(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CCCO2)C1 ZINC001191293672 781904338 /nfs/dbraw/zinc/90/43/38/781904338.db2.gz GCGNNTHPQPHODR-QJPTWQEYSA-N 1 2 299.371 -1.147 20 0 CAADLO CCNC(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CCCO2)C1 ZINC001191293672 781904345 /nfs/dbraw/zinc/90/43/45/781904345.db2.gz GCGNNTHPQPHODR-QJPTWQEYSA-N 1 2 299.371 -1.147 20 0 CAADLO CCNC(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2CCCO2)C1 ZINC001191293670 781905378 /nfs/dbraw/zinc/90/53/78/781905378.db2.gz GCGNNTHPQPHODR-IJLUTSLNSA-N 1 2 299.371 -1.147 20 0 CAADLO CCNC(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2CCCO2)C1 ZINC001191293670 781905386 /nfs/dbraw/zinc/90/53/86/781905386.db2.gz GCGNNTHPQPHODR-IJLUTSLNSA-N 1 2 299.371 -1.147 20 0 CAADLO CO[C@@H](C)C(=O)N[C@@H]1C[N@H+](CC(=O)N(C)C2CC2)C[C@H]1O ZINC001191422896 781906112 /nfs/dbraw/zinc/90/61/12/781906112.db2.gz CTMQPZIXBFUCCY-MVWJERBFSA-N 1 2 299.371 -1.197 20 0 CAADLO CO[C@@H](C)C(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)C2CC2)C[C@H]1O ZINC001191422896 781906119 /nfs/dbraw/zinc/90/61/19/781906119.db2.gz CTMQPZIXBFUCCY-MVWJERBFSA-N 1 2 299.371 -1.197 20 0 CAADLO COCCCC(=O)N[C@@H]1C[N@@H+]([C@H]2CCN(C)C2=O)C[C@H]1O ZINC001191335154 781906312 /nfs/dbraw/zinc/90/63/12/781906312.db2.gz IWGRIMFXZHYCTN-GRYCIOLGSA-N 1 2 299.371 -1.195 20 0 CAADLO COCCCC(=O)N[C@@H]1C[N@H+]([C@H]2CCN(C)C2=O)C[C@H]1O ZINC001191335154 781906319 /nfs/dbraw/zinc/90/63/19/781906319.db2.gz IWGRIMFXZHYCTN-GRYCIOLGSA-N 1 2 299.371 -1.195 20 0 CAADLO C[C@@H](c1nc(-c2nc[nH]n2)no1)[N@H+]1C[C@@H](O)[C@@H](O)C1 ZINC001191408448 781906394 /nfs/dbraw/zinc/90/63/94/781906394.db2.gz OZBFSSQKDIBZOT-LYFYHCNISA-N 1 2 266.261 -1.047 20 0 CAADLO C[C@@H](c1nc(-c2nc[nH]n2)no1)[N@@H+]1C[C@@H](O)[C@@H](O)C1 ZINC001191408448 781906405 /nfs/dbraw/zinc/90/64/05/781906405.db2.gz OZBFSSQKDIBZOT-LYFYHCNISA-N 1 2 266.261 -1.047 20 0 CAADLO COCCCC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(N)=O)C[C@H]1O ZINC001191328663 781907437 /nfs/dbraw/zinc/90/74/37/781907437.db2.gz ZTFGHCYILNNAOH-OPRDCNLKSA-N 1 2 273.333 -1.552 20 0 CAADLO COCCCC(=O)N[C@@H]1C[N@H+](CC(=O)NC2CC2)C[C@H]1O ZINC001191328271 781906898 /nfs/dbraw/zinc/90/68/98/781906898.db2.gz LLNMDJNLJBTAAK-VXGBXAGGSA-N 1 2 299.371 -1.147 20 0 CAADLO COCCCC(=O)N[C@@H]1C[N@@H+](CC(=O)NC2CC2)C[C@H]1O ZINC001191328271 781906901 /nfs/dbraw/zinc/90/69/01/781906901.db2.gz LLNMDJNLJBTAAK-VXGBXAGGSA-N 1 2 299.371 -1.147 20 0 CAADLO CC[C@@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCOC)C1 ZINC001191334562 781906992 /nfs/dbraw/zinc/90/69/92/781906992.db2.gz DEAGKLKQZSKGND-OUAUKWLOSA-N 1 2 287.360 -1.162 20 0 CAADLO CC[C@@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCOC)C1 ZINC001191334562 781906997 /nfs/dbraw/zinc/90/69/97/781906997.db2.gz DEAGKLKQZSKGND-OUAUKWLOSA-N 1 2 287.360 -1.162 20 0 CAADLO COCCCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(N)=O)C[C@H]1O ZINC001191328662 781907152 /nfs/dbraw/zinc/90/71/52/781907152.db2.gz ZTFGHCYILNNAOH-IVZWLZJFSA-N 1 2 273.333 -1.552 20 0 CAADLO COCCCC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(N)=O)C[C@H]1O ZINC001191328662 781907159 /nfs/dbraw/zinc/90/71/59/781907159.db2.gz ZTFGHCYILNNAOH-IVZWLZJFSA-N 1 2 273.333 -1.552 20 0 CAADLO COCCCC(=O)N[C@@H]1C[N@H+]([C@H](C)C(N)=O)C[C@H]1O ZINC001191328663 781907438 /nfs/dbraw/zinc/90/74/38/781907438.db2.gz ZTFGHCYILNNAOH-OPRDCNLKSA-N 1 2 273.333 -1.552 20 0 CAADLO CCN(C)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)OC)C1 ZINC001191415536 781907236 /nfs/dbraw/zinc/90/72/36/781907236.db2.gz HTDPCOZJZLHVIR-GMTAPVOTSA-N 1 2 287.360 -1.339 20 0 CAADLO CCN(C)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)OC)C1 ZINC001191415536 781907239 /nfs/dbraw/zinc/90/72/39/781907239.db2.gz HTDPCOZJZLHVIR-GMTAPVOTSA-N 1 2 287.360 -1.339 20 0 CAADLO COCCCC(=O)N[C@@H]1C[N@@H+]([C@H]2CCCNC2=O)C[C@H]1O ZINC001191328413 781907364 /nfs/dbraw/zinc/90/73/64/781907364.db2.gz SJMPJFLANSEGAA-GRYCIOLGSA-N 1 2 299.371 -1.147 20 0 CAADLO COCCCC(=O)N[C@@H]1C[N@H+]([C@H]2CCCNC2=O)C[C@H]1O ZINC001191328413 781907367 /nfs/dbraw/zinc/90/73/67/781907367.db2.gz SJMPJFLANSEGAA-GRYCIOLGSA-N 1 2 299.371 -1.147 20 0 CAADLO CC(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CS(C)(=O)=O)C1 ZINC001191439491 781909148 /nfs/dbraw/zinc/90/91/48/781909148.db2.gz FTAUOVDFRYZXRU-NXEZZACHSA-N 1 2 278.374 -1.152 20 0 CAADLO CC(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CS(C)(=O)=O)C1 ZINC001191439491 781909150 /nfs/dbraw/zinc/90/91/50/781909150.db2.gz FTAUOVDFRYZXRU-NXEZZACHSA-N 1 2 278.374 -1.152 20 0 CAADLO CS(=O)(=O)CC(=O)N[C@@H]1C[N@H+](CC2CC2)C[C@H]1O ZINC001191483794 781909306 /nfs/dbraw/zinc/90/93/06/781909306.db2.gz XBUIZZZYUPYRFR-NXEZZACHSA-N 1 2 276.358 -1.398 20 0 CAADLO CS(=O)(=O)CC(=O)N[C@@H]1C[N@@H+](CC2CC2)C[C@H]1O ZINC001191483794 781909312 /nfs/dbraw/zinc/90/93/12/781909312.db2.gz XBUIZZZYUPYRFR-NXEZZACHSA-N 1 2 276.358 -1.398 20 0 CAADLO C[N@@H+]1CCO[C@H](CNC(=O)c2ncc[nH]c2=O)C1 ZINC001191512210 781909733 /nfs/dbraw/zinc/90/97/33/781909733.db2.gz BSFBHBODCNDUKU-MRVPVSSYSA-N 1 2 252.274 -1.170 20 0 CAADLO C[N@H+]1CCO[C@H](CNC(=O)c2ncc[nH]c2=O)C1 ZINC001191512210 781909741 /nfs/dbraw/zinc/90/97/41/781909741.db2.gz BSFBHBODCNDUKU-MRVPVSSYSA-N 1 2 252.274 -1.170 20 0 CAADLO CC(C)OCC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1O ZINC001191514797 781910173 /nfs/dbraw/zinc/91/01/73/781910173.db2.gz ZQFONKYJJYITCX-VXGBXAGGSA-N 1 2 299.371 -1.195 20 0 CAADLO CC(C)OCC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1O ZINC001191514797 781910181 /nfs/dbraw/zinc/91/01/81/781910181.db2.gz ZQFONKYJJYITCX-VXGBXAGGSA-N 1 2 299.371 -1.195 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC(F)(F)F)C1 ZINC001191492825 781910641 /nfs/dbraw/zinc/91/06/41/781910641.db2.gz XABHYDKSKZDYIN-RRKCRQDMSA-N 1 2 283.250 -1.026 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)CC(F)(F)F)C1 ZINC001191492825 781910647 /nfs/dbraw/zinc/91/06/47/781910647.db2.gz XABHYDKSKZDYIN-RRKCRQDMSA-N 1 2 283.250 -1.026 20 0 CAADLO CC[C@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)COC(C)C)C1 ZINC001191573199 781913259 /nfs/dbraw/zinc/91/32/59/781913259.db2.gz HQOYFCMPSLFFHE-GMTAPVOTSA-N 1 2 287.360 -1.163 20 0 CAADLO CC[C@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)COC(C)C)C1 ZINC001191573199 781913262 /nfs/dbraw/zinc/91/32/62/781913262.db2.gz HQOYFCMPSLFFHE-GMTAPVOTSA-N 1 2 287.360 -1.163 20 0 CAADLO CCCOCC(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1O ZINC001191573867 781913774 /nfs/dbraw/zinc/91/37/74/781913774.db2.gz XBKXPQLAHAHYCQ-GHMZBOCLSA-N 1 2 287.360 -1.338 20 0 CAADLO CCCOCC(=O)N[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]1O ZINC001191573867 781913768 /nfs/dbraw/zinc/91/37/68/781913768.db2.gz XBKXPQLAHAHYCQ-GHMZBOCLSA-N 1 2 287.360 -1.338 20 0 CAADLO CC(C)OCC(=O)N[C@@H]1C[N@@H+]([C@H]2CCCNC2=O)C[C@H]1O ZINC001191564989 781913968 /nfs/dbraw/zinc/91/39/68/781913968.db2.gz OTUKISAASJUILJ-GRYCIOLGSA-N 1 2 299.371 -1.149 20 0 CAADLO CC(C)OCC(=O)N[C@@H]1C[N@H+]([C@H]2CCCNC2=O)C[C@H]1O ZINC001191564989 781913973 /nfs/dbraw/zinc/91/39/73/781913973.db2.gz OTUKISAASJUILJ-GRYCIOLGSA-N 1 2 299.371 -1.149 20 0 CAADLO CCCOCC(=O)N[C@@H]1C[N@@H+]([C@@H](CC)C(N)=O)C[C@H]1O ZINC001191581290 781913981 /nfs/dbraw/zinc/91/39/81/781913981.db2.gz WOVPFCVLXNFQTG-OUAUKWLOSA-N 1 2 287.360 -1.162 20 0 CAADLO CCCOCC(=O)N[C@@H]1C[N@H+]([C@@H](CC)C(N)=O)C[C@H]1O ZINC001191581290 781913986 /nfs/dbraw/zinc/91/39/86/781913986.db2.gz WOVPFCVLXNFQTG-OUAUKWLOSA-N 1 2 287.360 -1.162 20 0 CAADLO CCN(C)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCOC2)C1 ZINC001191622246 781914811 /nfs/dbraw/zinc/91/48/11/781914811.db2.gz GDXWZHZYECBHAM-QJPTWQEYSA-N 1 2 299.371 -1.338 20 0 CAADLO CCN(C)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCOC2)C1 ZINC001191622246 781914820 /nfs/dbraw/zinc/91/48/20/781914820.db2.gz GDXWZHZYECBHAM-QJPTWQEYSA-N 1 2 299.371 -1.338 20 0 CAADLO CNC(=O)NCCNS(=O)(=O)N1CC[NH+](C)CC1 ZINC001191651110 781915126 /nfs/dbraw/zinc/91/51/26/781915126.db2.gz BLSXVCYCKNTXBQ-UHFFFAOYSA-N 1 2 279.366 -2.003 20 0 CAADLO COCCCCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(N)=O)C[C@H]1O ZINC001191630892 781915270 /nfs/dbraw/zinc/91/52/70/781915270.db2.gz IHLSDUZOQKBAHW-HBNTYKKESA-N 1 2 287.360 -1.162 20 0 CAADLO COCCCCC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(N)=O)C[C@H]1O ZINC001191630892 781915275 /nfs/dbraw/zinc/91/52/75/781915275.db2.gz IHLSDUZOQKBAHW-HBNTYKKESA-N 1 2 287.360 -1.162 20 0 CAADLO CCOCCC(=O)N[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@H]1O ZINC001191705397 781916009 /nfs/dbraw/zinc/91/60/09/781916009.db2.gz PAWKRAXOXRJBHJ-OUAUKWLOSA-N 1 2 285.344 -1.537 20 0 CAADLO CCOCCC(=O)N[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@H]1O ZINC001191705397 781916020 /nfs/dbraw/zinc/91/60/20/781916020.db2.gz PAWKRAXOXRJBHJ-OUAUKWLOSA-N 1 2 285.344 -1.537 20 0 CAADLO CCOCCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC)C[C@H]1O ZINC001191715141 781916368 /nfs/dbraw/zinc/91/63/68/781916368.db2.gz RBBDPOSVVSBGHU-HBNTYKKESA-N 1 2 287.360 -1.291 20 0 CAADLO CCOCCC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)NC)C[C@H]1O ZINC001191715141 781916374 /nfs/dbraw/zinc/91/63/74/781916374.db2.gz RBBDPOSVVSBGHU-HBNTYKKESA-N 1 2 287.360 -1.291 20 0 CAADLO C[N@H+](CCNC(=O)c1cccnc1C(N)=O)CC(N)=O ZINC001420350139 890433725 /nfs/dbraw/zinc/43/37/25/890433725.db2.gz GXWREKVXKUXESG-UHFFFAOYSA-N 1 2 279.300 -1.673 20 0 CAADLO C[N@@H+](CCNC(=O)c1cccnc1C(N)=O)CC(N)=O ZINC001420350139 890433735 /nfs/dbraw/zinc/43/37/35/890433735.db2.gz GXWREKVXKUXESG-UHFFFAOYSA-N 1 2 279.300 -1.673 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CC[C@@H]1CNC(=O)CN1CCOCC1 ZINC001420816485 890463108 /nfs/dbraw/zinc/46/31/08/890463108.db2.gz WFECTOFJJPLKBU-GHMZBOCLSA-N 1 2 284.360 -1.617 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CC[C@@H]1CNC(=O)CN1CCOCC1 ZINC001420816485 890463115 /nfs/dbraw/zinc/46/31/15/890463115.db2.gz WFECTOFJJPLKBU-GHMZBOCLSA-N 1 2 284.360 -1.617 20 0 CAADLO COCc1n[nH]c(CNC(=O)CN2CC[NH+](C)CC2)n1 ZINC001420987529 890476299 /nfs/dbraw/zinc/47/62/99/890476299.db2.gz LFECLWQTJLCYQA-UHFFFAOYSA-N 1 2 282.348 -1.185 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@@H](NC(=O)CO[C@@H]2CCOC2)C1 ZINC001420986019 890477396 /nfs/dbraw/zinc/47/73/96/890477396.db2.gz PIKCDUPQNXHSID-GHMZBOCLSA-N 1 2 285.344 -1.142 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@@H](NC(=O)CO[C@@H]2CCOC2)C1 ZINC001420986019 890477403 /nfs/dbraw/zinc/47/74/03/890477403.db2.gz PIKCDUPQNXHSID-GHMZBOCLSA-N 1 2 285.344 -1.142 20 0 CAADLO C[C@@H](O)C[NH+]1CC(O)(CNC(=O)[C@@H]2COCCO2)C1 ZINC001421420075 890510030 /nfs/dbraw/zinc/51/00/30/890510030.db2.gz VMLIGLANHYIJDP-ZJUUUORDSA-N 1 2 274.317 -2.055 20 0 CAADLO CO[C@H](C)C[N@@H+]1CCOC[C@@H]1CNC(=O)CNC(C)=O ZINC001421677585 890525669 /nfs/dbraw/zinc/52/56/69/890525669.db2.gz ALRHIRJMUNJEKO-PWSUYJOCSA-N 1 2 287.360 -1.026 20 0 CAADLO CO[C@H](C)C[N@H+]1CCOC[C@@H]1CNC(=O)CNC(C)=O ZINC001421677585 890525677 /nfs/dbraw/zinc/52/56/77/890525677.db2.gz ALRHIRJMUNJEKO-PWSUYJOCSA-N 1 2 287.360 -1.026 20 0 CAADLO CO[C@H](C)C[N@@H+]1CCOC[C@H]1CNC(=O)CNC(C)=O ZINC001421677588 890526034 /nfs/dbraw/zinc/52/60/34/890526034.db2.gz ALRHIRJMUNJEKO-ZYHUDNBSSA-N 1 2 287.360 -1.026 20 0 CAADLO CO[C@H](C)C[N@H+]1CCOC[C@H]1CNC(=O)CNC(C)=O ZINC001421677588 890526055 /nfs/dbraw/zinc/52/60/55/890526055.db2.gz ALRHIRJMUNJEKO-ZYHUDNBSSA-N 1 2 287.360 -1.026 20 0 CAADLO CNC(=O)NCCC(=O)NC[C@H]1C[N@H+](CCO)CCO1 ZINC001421777970 890532367 /nfs/dbraw/zinc/53/23/67/890532367.db2.gz NPYCFBRXZJNMEB-JTQLQIEISA-N 1 2 288.348 -1.885 20 0 CAADLO CNC(=O)NCCC(=O)NC[C@H]1C[N@@H+](CCO)CCO1 ZINC001421777970 890532389 /nfs/dbraw/zinc/53/23/89/890532389.db2.gz NPYCFBRXZJNMEB-JTQLQIEISA-N 1 2 288.348 -1.885 20 0 CAADLO C[C@@H](CC(N)=O)C(=O)NC[C@H]1C[N@@H+](CCO)CCO1 ZINC001421790907 890535000 /nfs/dbraw/zinc/53/50/00/890535000.db2.gz KNDRKWAMVMSXRB-UWVGGRQHSA-N 1 2 273.333 -1.693 20 0 CAADLO CNC(=O)C[N@H+](C)CCN(C)C(=O)C[C@@H]1CCNC1=O ZINC001422165440 890553568 /nfs/dbraw/zinc/55/35/68/890553568.db2.gz AIFJJGUSPFZCLL-JTQLQIEISA-N 1 2 284.360 -1.351 20 0 CAADLO CNC(=O)C[N@@H+](C)CCN(C)C(=O)C[C@@H]1CCNC1=O ZINC001422165440 890553570 /nfs/dbraw/zinc/55/35/70/890553570.db2.gz AIFJJGUSPFZCLL-JTQLQIEISA-N 1 2 284.360 -1.351 20 0 CAADLO CC(=O)NCC(=O)NC[C@H](O)C[NH2+]Cc1nc(C)no1 ZINC001422283555 890565914 /nfs/dbraw/zinc/56/59/14/890565914.db2.gz MTAVRMDAFAIMKB-SECBINFHSA-N 1 2 285.304 -1.919 20 0 CAADLO CC[C@H](NC(C)=O)C(=O)NC1(CCO)C[NH+](CCO)C1 ZINC001422641208 890606202 /nfs/dbraw/zinc/60/62/02/890606202.db2.gz GXMVSQBOMWFNCN-NSHDSACASA-N 1 2 287.360 -1.554 20 0 CAADLO Cn1cnnc1C[NH2+][C@H](CO)CNC(=O)[C@@H]1CCCO1 ZINC001423193789 890638746 /nfs/dbraw/zinc/63/87/46/890638746.db2.gz LDYFDETUARMPSA-UWVGGRQHSA-N 1 2 283.332 -1.439 20 0 CAADLO Cn1nnnc1C[NH2+][C@H](CO)CNC(=O)CC(F)(F)F ZINC001423215682 890645319 /nfs/dbraw/zinc/64/53/19/890645319.db2.gz XAFKHJRWNKJQTE-LURJTMIESA-N 1 2 296.253 -1.271 20 0 CAADLO CCn1cc(C(=O)NCC2(O)C[NH+](C[C@H](C)O)C2)nn1 ZINC001423888971 890712687 /nfs/dbraw/zinc/71/26/87/890712687.db2.gz FISDNQLGVYXKAM-VIFPVBQESA-N 1 2 283.332 -1.545 20 0 CAADLO C[C@@H]1CN(S(=O)(=O)N2CC[NH+](C)CC2)CC(=O)N1 ZINC001424077433 890717587 /nfs/dbraw/zinc/71/75/87/890717587.db2.gz CQAGQDVGRBMUDG-SECBINFHSA-N 1 2 276.362 -1.701 20 0 CAADLO O=C(Cn1cnnn1)NC[C@@H]1COCC[N@H+]1CCCF ZINC001424107945 890718518 /nfs/dbraw/zinc/71/85/18/890718518.db2.gz QZLGRBPHXLBWLP-SNVBAGLBSA-N 1 2 286.311 -1.150 20 0 CAADLO O=C(Cn1cnnn1)NC[C@@H]1COCC[N@@H+]1CCCF ZINC001424107945 890718533 /nfs/dbraw/zinc/71/85/33/890718533.db2.gz QZLGRBPHXLBWLP-SNVBAGLBSA-N 1 2 286.311 -1.150 20 0 CAADLO C[C@@H](CC(=O)NC1(CCO)C[NH+](CCO)C1)NC(N)=O ZINC001425096119 890754624 /nfs/dbraw/zinc/75/46/24/890754624.db2.gz HNNQYFWCXLLEPB-VIFPVBQESA-N 1 2 288.348 -2.021 20 0 CAADLO COC[C@H](C)C(=O)NC[C@@H](CO)[NH2+]Cc1nnc(C)[nH]1 ZINC001425716353 890799526 /nfs/dbraw/zinc/79/95/26/890799526.db2.gz WMKQIKBMRBAZOH-WPRPVWTQSA-N 1 2 285.348 -1.038 20 0 CAADLO COCCC(=O)N[C@@H](CO)CNC(=O)Cn1cc[nH+]c1 ZINC001427854634 890896081 /nfs/dbraw/zinc/89/60/81/890896081.db2.gz TWVPIYKOIJKGKA-SNVBAGLBSA-N 1 2 284.316 -1.487 20 0 CAADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H](C)CC(N)=O ZINC001434335883 891104083 /nfs/dbraw/zinc/10/40/83/891104083.db2.gz AEWDBCCYWKYHGH-CBAPKCEASA-N 1 2 281.316 -1.306 20 0 CAADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H](C)CC(N)=O ZINC001434335883 891104092 /nfs/dbraw/zinc/10/40/92/891104092.db2.gz AEWDBCCYWKYHGH-CBAPKCEASA-N 1 2 281.316 -1.306 20 0 CAADLO NC(=O)[C@@H]1C[N@H+](C[C@@H](O)C[C@@]2(O)CCOC2)CCO1 ZINC001434459673 891118276 /nfs/dbraw/zinc/11/82/76/891118276.db2.gz TYBDKWBVBOXIDB-NHCYSSNCSA-N 1 2 274.317 -1.925 20 0 CAADLO NC(=O)[C@@H]1C[N@@H+](C[C@@H](O)C[C@@]2(O)CCOC2)CCO1 ZINC001434459673 891118282 /nfs/dbraw/zinc/11/82/82/891118282.db2.gz TYBDKWBVBOXIDB-NHCYSSNCSA-N 1 2 274.317 -1.925 20 0 CAADLO CO[C@@H]1C[N@H+](CC(=O)N[C@H](C)C(=O)N(C)C)C[C@H]1O ZINC001434472781 891120632 /nfs/dbraw/zinc/12/06/32/891120632.db2.gz RTOFXYUVBPOFKX-OPRDCNLKSA-N 1 2 273.333 -1.729 20 0 CAADLO CO[C@@H]1C[N@@H+](CC(=O)N[C@H](C)C(=O)N(C)C)C[C@H]1O ZINC001434472781 891120643 /nfs/dbraw/zinc/12/06/43/891120643.db2.gz RTOFXYUVBPOFKX-OPRDCNLKSA-N 1 2 273.333 -1.729 20 0 CAADLO NC(=O)[C@@H]1C[N@H+](C[C@@H](O)C[C@]2(O)CCOC2)CCO1 ZINC001434459669 891117727 /nfs/dbraw/zinc/11/77/27/891117727.db2.gz TYBDKWBVBOXIDB-JBLDHEPKSA-N 1 2 274.317 -1.925 20 0 CAADLO NC(=O)[C@@H]1C[N@@H+](C[C@@H](O)C[C@]2(O)CCOC2)CCO1 ZINC001434459669 891117730 /nfs/dbraw/zinc/11/77/30/891117730.db2.gz TYBDKWBVBOXIDB-JBLDHEPKSA-N 1 2 274.317 -1.925 20 0 CAADLO CO[C@@H]1C[N@H+](CC(=O)N[C@@H](C)C(=O)N(C)C)C[C@H]1O ZINC001434472776 891121840 /nfs/dbraw/zinc/12/18/40/891121840.db2.gz RTOFXYUVBPOFKX-IVZWLZJFSA-N 1 2 273.333 -1.729 20 0 CAADLO CO[C@@H]1C[N@@H+](CC(=O)N[C@@H](C)C(=O)N(C)C)C[C@H]1O ZINC001434472776 891121844 /nfs/dbraw/zinc/12/18/44/891121844.db2.gz RTOFXYUVBPOFKX-IVZWLZJFSA-N 1 2 273.333 -1.729 20 0 CAADLO C[C@H]1CO[C@H](CO)CN1S(=O)(=O)N1CC[NH+](C)CC1 ZINC001434553855 891127113 /nfs/dbraw/zinc/12/71/13/891127113.db2.gz VCHXHGKDUSMQSN-QWRGUYRKSA-N 1 2 293.389 -1.440 20 0 CAADLO C[C@H](NS(=O)(=O)N1CC[NH+](C)CC1)c1ncnn1C ZINC001434568047 891128076 /nfs/dbraw/zinc/12/80/76/891128076.db2.gz SAWMRPBDCDTUQZ-VIFPVBQESA-N 1 2 288.377 -1.042 20 0 CAADLO COC(=O)C1(NS(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC001434555567 891128120 /nfs/dbraw/zinc/12/81/20/891128120.db2.gz DSSNNHJQWQQGJA-UHFFFAOYSA-N 1 2 277.346 -1.226 20 0 CAADLO CNC(=O)C[C@H](C)NS(=O)(=O)N1CC[NH+](C)CC1 ZINC001434567967 891128237 /nfs/dbraw/zinc/12/82/37/891128237.db2.gz MSXUCPNUNXAYKF-VIFPVBQESA-N 1 2 278.378 -1.407 20 0 CAADLO CCN(CCC(=O)NC)S(=O)(=O)N1CC[NH+](C)CC1 ZINC001434641637 891133227 /nfs/dbraw/zinc/13/32/27/891133227.db2.gz JMIRUEFJMNEEMY-UHFFFAOYSA-N 1 2 292.405 -1.063 20 0 CAADLO NS(=O)(=O)C1CN(C(=O)NCCn2cc[nH+]c2)C1 ZINC001434765631 891135968 /nfs/dbraw/zinc/13/59/68/891135968.db2.gz HMZHZMUTQFWJKL-UHFFFAOYSA-N 1 2 273.318 -1.435 20 0 CAADLO CNC(=O)NC(=O)C[N@@H+]1CCC[C@@H](NC(=O)COC)C1 ZINC001436696636 891152641 /nfs/dbraw/zinc/15/26/41/891152641.db2.gz FXDVPNJIGXSVSY-SECBINFHSA-N 1 2 286.332 -1.331 20 0 CAADLO CNC(=O)NC(=O)C[N@H+]1CCC[C@@H](NC(=O)COC)C1 ZINC001436696636 891152647 /nfs/dbraw/zinc/15/26/47/891152647.db2.gz FXDVPNJIGXSVSY-SECBINFHSA-N 1 2 286.332 -1.331 20 0 CAADLO O=c1[nH]cnc(O)c1NC[C@@H](O)C[NH+]1CCOCC1 ZINC001251005444 884080095 /nfs/dbraw/zinc/08/00/95/884080095.db2.gz CDEHVNOJVVYCAX-MRVPVSSYSA-N 1 2 270.289 -1.007 20 0 CAADLO Nc1ccnc(C(=O)N2CC[NH+](CCO)CC2)n1 ZINC001261851492 884085634 /nfs/dbraw/zinc/08/56/34/884085634.db2.gz VVBROZBWEYLIJL-UHFFFAOYSA-N 1 2 251.290 -1.361 20 0 CAADLO CNC(=O)C[N@@H+]1CCCN(CC(=O)N(C)OC)CC1 ZINC001308093022 884128136 /nfs/dbraw/zinc/12/81/36/884128136.db2.gz GERZYJIYPKXWEU-UHFFFAOYSA-N 1 2 272.349 -1.240 20 0 CAADLO CNC(=O)C[N@H+]1CCCN(CC(=O)N(C)OC)CC1 ZINC001308093022 884128146 /nfs/dbraw/zinc/12/81/46/884128146.db2.gz GERZYJIYPKXWEU-UHFFFAOYSA-N 1 2 272.349 -1.240 20 0 CAADLO CNC(=O)CN1CCC[N@H+](CC(=O)N(C)OC)CC1 ZINC001308093022 884128150 /nfs/dbraw/zinc/12/81/50/884128150.db2.gz GERZYJIYPKXWEU-UHFFFAOYSA-N 1 2 272.349 -1.240 20 0 CAADLO CNC(=O)CN1CCC[N@@H+](CC(=O)N(C)OC)CC1 ZINC001308093022 884128157 /nfs/dbraw/zinc/12/81/57/884128157.db2.gz GERZYJIYPKXWEU-UHFFFAOYSA-N 1 2 272.349 -1.240 20 0 CAADLO C[N@H+](CCN1C(=O)CNC1=O)CCS(N)(=O)=O ZINC001308052346 884129353 /nfs/dbraw/zinc/12/93/53/884129353.db2.gz RUTIPVLZGMQHDO-UHFFFAOYSA-N 1 2 264.307 -2.242 20 0 CAADLO C[N@@H+](CCN1C(=O)CNC1=O)CCS(N)(=O)=O ZINC001308052346 884129361 /nfs/dbraw/zinc/12/93/61/884129361.db2.gz RUTIPVLZGMQHDO-UHFFFAOYSA-N 1 2 264.307 -2.242 20 0 CAADLO CNS(=O)(=O)CC[NH2+]Cc1cn(CC(=O)OC)nn1 ZINC001308695155 884132343 /nfs/dbraw/zinc/13/23/43/884132343.db2.gz FTDARBGJAARASU-UHFFFAOYSA-N 1 2 291.333 -1.910 20 0 CAADLO CNC(=O)CCNS(=O)(=O)N1CC[NH+](C)CC1 ZINC001309081159 884132589 /nfs/dbraw/zinc/13/25/89/884132589.db2.gz IURFQWFSHKGIJS-UHFFFAOYSA-N 1 2 264.351 -1.796 20 0 CAADLO C[N@H+](CCCNC(=O)CCc1cnn[nH]1)CC(N)=O ZINC001316851001 884159535 /nfs/dbraw/zinc/15/95/35/884159535.db2.gz OADYQMSFNFKVAA-UHFFFAOYSA-N 1 2 268.321 -1.339 20 0 CAADLO C[N@@H+](CCCNC(=O)CCc1cnn[nH]1)CC(N)=O ZINC001316851001 884159541 /nfs/dbraw/zinc/15/95/41/884159541.db2.gz OADYQMSFNFKVAA-UHFFFAOYSA-N 1 2 268.321 -1.339 20 0 CAADLO CC[N@@H+](CCCNC(=O)C1CS(=O)(=O)C1)CC(N)=O ZINC001316890827 884158321 /nfs/dbraw/zinc/15/83/21/884158321.db2.gz AQQNPZKWQYDIBP-UHFFFAOYSA-N 1 2 291.373 -1.656 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)CCCCNC(N)=O)C1 ZINC001316982055 884162316 /nfs/dbraw/zinc/16/23/16/884162316.db2.gz ZHHGLCMZPJPLCL-VIFPVBQESA-N 1 2 285.348 -1.499 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)CCCCNC(N)=O)C1 ZINC001316982055 884162320 /nfs/dbraw/zinc/16/23/20/884162320.db2.gz ZHHGLCMZPJPLCL-VIFPVBQESA-N 1 2 285.348 -1.499 20 0 CAADLO CC(=O)N[C@H](C)C(=O)N[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001316969986 884162332 /nfs/dbraw/zinc/16/23/32/884162332.db2.gz VDVOJGYVBJWOQJ-APPZFPTMSA-N 1 2 256.306 -1.813 20 0 CAADLO CC(=O)N[C@H](C)C(=O)N[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001316969986 884162334 /nfs/dbraw/zinc/16/23/34/884162334.db2.gz VDVOJGYVBJWOQJ-APPZFPTMSA-N 1 2 256.306 -1.813 20 0 CAADLO CCNC(=O)C[N@H+](C)CCNC(=O)c1cn[nH]n1 ZINC001317453293 884194701 /nfs/dbraw/zinc/19/47/01/884194701.db2.gz ORULJMHAOKNZFH-UHFFFAOYSA-N 1 2 254.294 -1.398 20 0 CAADLO CCNC(=O)C[N@@H+](C)CCNC(=O)c1cn[nH]n1 ZINC001317453293 884194714 /nfs/dbraw/zinc/19/47/14/884194714.db2.gz ORULJMHAOKNZFH-UHFFFAOYSA-N 1 2 254.294 -1.398 20 0 CAADLO CCNC(=O)C[N@H+](C)CCNC(=O)C1(C(=O)NC)CC1 ZINC001317465264 884199854 /nfs/dbraw/zinc/19/98/54/884199854.db2.gz LKPUKLJHTPIYPW-UHFFFAOYSA-N 1 2 284.360 -1.303 20 0 CAADLO CCNC(=O)C[N@@H+](C)CCNC(=O)C1(C(=O)NC)CC1 ZINC001317465264 884199863 /nfs/dbraw/zinc/19/98/63/884199863.db2.gz LKPUKLJHTPIYPW-UHFFFAOYSA-N 1 2 284.360 -1.303 20 0 CAADLO C[C@H](C(=O)N(C)C)[N@H+](C)CCNC(=O)c1cn[nH]n1 ZINC001317452673 884197610 /nfs/dbraw/zinc/19/76/10/884197610.db2.gz GWJYBDMQAFXBME-MRVPVSSYSA-N 1 2 268.321 -1.057 20 0 CAADLO C[C@H](C(=O)N(C)C)[N@@H+](C)CCNC(=O)c1cn[nH]n1 ZINC001317452673 884197615 /nfs/dbraw/zinc/19/76/15/884197615.db2.gz GWJYBDMQAFXBME-MRVPVSSYSA-N 1 2 268.321 -1.057 20 0 CAADLO C[C@H](C(=O)N(C)C)[N@H+](C)CCNC(=O)c1cnn[nH]1 ZINC001317452673 884197623 /nfs/dbraw/zinc/19/76/23/884197623.db2.gz GWJYBDMQAFXBME-MRVPVSSYSA-N 1 2 268.321 -1.057 20 0 CAADLO C[C@H](C(=O)N(C)C)[N@@H+](C)CCNC(=O)c1cnn[nH]1 ZINC001317452673 884197630 /nfs/dbraw/zinc/19/76/30/884197630.db2.gz GWJYBDMQAFXBME-MRVPVSSYSA-N 1 2 268.321 -1.057 20 0 CAADLO CC(C)(C(N)=O)C(=O)N[C@H]1CCC[N@H+](CC(N)=O)C1 ZINC001317972562 884240099 /nfs/dbraw/zinc/24/00/99/884240099.db2.gz GRIGJJMINQESHO-QMMMGPOBSA-N 1 2 270.333 -1.436 20 0 CAADLO CC(C)(C(N)=O)C(=O)N[C@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001317972562 884240116 /nfs/dbraw/zinc/24/01/16/884240116.db2.gz GRIGJJMINQESHO-QMMMGPOBSA-N 1 2 270.333 -1.436 20 0 CAADLO COCC(=O)NC1C[NH+](CCCN2C(=O)CNC2=O)C1 ZINC001317995262 884246309 /nfs/dbraw/zinc/24/63/09/884246309.db2.gz NWSUPCCTKUZQBO-UHFFFAOYSA-N 1 2 284.316 -1.625 20 0 CAADLO CCOCCOCC(=O)N[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001318373813 884270286 /nfs/dbraw/zinc/27/02/86/884270286.db2.gz HPLPNUNNQTWGMR-SNVBAGLBSA-N 1 2 273.333 -1.285 20 0 CAADLO CCOCCOCC(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001318373813 884270302 /nfs/dbraw/zinc/27/03/02/884270302.db2.gz HPLPNUNNQTWGMR-SNVBAGLBSA-N 1 2 273.333 -1.285 20 0 CAADLO CN(C)C(=O)CN1CC[NH+](CCn2cncn2)CC1 ZINC001318379694 884270643 /nfs/dbraw/zinc/27/06/43/884270643.db2.gz UHFZXWFHTXIZAS-UHFFFAOYSA-N 1 2 266.349 -1.016 20 0 CAADLO CNC(=O)C[N@@H+]1CCC[C@@H](CNS(N)(=O)=O)C1 ZINC001318658110 884288301 /nfs/dbraw/zinc/28/83/01/884288301.db2.gz JHGDTGUUAFNIIU-QMMMGPOBSA-N 1 2 264.351 -1.763 20 0 CAADLO CNC(=O)C[N@H+]1CCC[C@@H](CNS(N)(=O)=O)C1 ZINC001318658110 884288317 /nfs/dbraw/zinc/28/83/17/884288317.db2.gz JHGDTGUUAFNIIU-QMMMGPOBSA-N 1 2 264.351 -1.763 20 0 CAADLO Cn1cc(C(N)=O)c(NC(=O)[C@H]2C[N@H+](C)CCO2)n1 ZINC001319771573 884352686 /nfs/dbraw/zinc/35/26/86/884352686.db2.gz ZGAKQTAWRFUIRW-MRVPVSSYSA-N 1 2 267.289 -1.212 20 0 CAADLO Cn1cc(C(N)=O)c(NC(=O)[C@H]2C[N@@H+](C)CCO2)n1 ZINC001319771573 884352705 /nfs/dbraw/zinc/35/27/05/884352705.db2.gz ZGAKQTAWRFUIRW-MRVPVSSYSA-N 1 2 267.289 -1.212 20 0 CAADLO O=C(CO[C@@H]1CCOC1)NC[C@@H]1C[NH+]2CCN1CC2 ZINC001319982125 884366840 /nfs/dbraw/zinc/36/68/40/884366840.db2.gz PQGLUQBNSDRNQQ-VXGBXAGGSA-N 1 2 269.345 -1.092 20 0 CAADLO C[C@H]1COCC[N@@H+]1CCNC(=O)C[C@@H]1NC(=O)NC1=O ZINC001320025877 884373347 /nfs/dbraw/zinc/37/33/47/884373347.db2.gz IZRYREKLVBALRE-IUCAKERBSA-N 1 2 284.316 -1.579 20 0 CAADLO C[C@H]1COCC[N@H+]1CCNC(=O)C[C@@H]1NC(=O)NC1=O ZINC001320025877 884373361 /nfs/dbraw/zinc/37/33/61/884373361.db2.gz IZRYREKLVBALRE-IUCAKERBSA-N 1 2 284.316 -1.579 20 0 CAADLO Cc1n[nH]nc1C(=O)N(C)CC[N@H+](C)CC(N)=O ZINC001320032489 884369949 /nfs/dbraw/zinc/36/99/49/884369949.db2.gz HHVSWWFGTDPAFC-UHFFFAOYSA-N 1 2 254.294 -1.398 20 0 CAADLO Cc1n[nH]nc1C(=O)N(C)CC[N@@H+](C)CC(N)=O ZINC001320032489 884369969 /nfs/dbraw/zinc/36/99/69/884369969.db2.gz HHVSWWFGTDPAFC-UHFFFAOYSA-N 1 2 254.294 -1.398 20 0 CAADLO NC(=O)CN1CCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001321004325 884462077 /nfs/dbraw/zinc/46/20/77/884462077.db2.gz JPIOCOKHDHIKOA-UHFFFAOYSA-N 1 2 265.317 -1.028 20 0 CAADLO CS(=O)(=O)CCNC(=O)C(=O)NCCn1cc[nH+]c1 ZINC001321909452 884525809 /nfs/dbraw/zinc/52/58/09/884525809.db2.gz UGSDILHZTVOSDH-UHFFFAOYSA-N 1 2 288.329 -1.840 20 0 CAADLO C[C@H](C[N@H+](C)[C@@H](C)C(N)=O)NC(=O)c1cn[nH]n1 ZINC001322193180 884541755 /nfs/dbraw/zinc/54/17/55/884541755.db2.gz KDOAAHUNRRLZNO-RQJHMYQMSA-N 1 2 254.294 -1.271 20 0 CAADLO C[C@H](C[N@@H+](C)[C@@H](C)C(N)=O)NC(=O)c1cn[nH]n1 ZINC001322193180 884541757 /nfs/dbraw/zinc/54/17/57/884541757.db2.gz KDOAAHUNRRLZNO-RQJHMYQMSA-N 1 2 254.294 -1.271 20 0 CAADLO C[C@H](C[N@H+](C)[C@@H](C)C(N)=O)NC(=O)c1cnn[nH]1 ZINC001322193180 884541769 /nfs/dbraw/zinc/54/17/69/884541769.db2.gz KDOAAHUNRRLZNO-RQJHMYQMSA-N 1 2 254.294 -1.271 20 0 CAADLO C[C@H](C[N@@H+](C)[C@@H](C)C(N)=O)NC(=O)c1cnn[nH]1 ZINC001322193180 884541780 /nfs/dbraw/zinc/54/17/80/884541780.db2.gz KDOAAHUNRRLZNO-RQJHMYQMSA-N 1 2 254.294 -1.271 20 0 CAADLO C[C@@H](C[N@H+](C)[C@@H](C)C(N)=O)NC(=O)c1nnc[nH]1 ZINC001322269386 884547211 /nfs/dbraw/zinc/54/72/11/884547211.db2.gz NKKLQTFAIIOGDY-BQBZGAKWSA-N 1 2 254.294 -1.271 20 0 CAADLO C[C@@H](C[N@@H+](C)[C@@H](C)C(N)=O)NC(=O)c1nnc[nH]1 ZINC001322269386 884547223 /nfs/dbraw/zinc/54/72/23/884547223.db2.gz NKKLQTFAIIOGDY-BQBZGAKWSA-N 1 2 254.294 -1.271 20 0 CAADLO C[C@@H](C[N@H+](C)[C@@H](C)C(N)=O)NC(=O)c1ncn[nH]1 ZINC001322269386 884547230 /nfs/dbraw/zinc/54/72/30/884547230.db2.gz NKKLQTFAIIOGDY-BQBZGAKWSA-N 1 2 254.294 -1.271 20 0 CAADLO C[C@@H](C[N@@H+](C)[C@@H](C)C(N)=O)NC(=O)c1ncn[nH]1 ZINC001322269386 884547240 /nfs/dbraw/zinc/54/72/40/884547240.db2.gz NKKLQTFAIIOGDY-BQBZGAKWSA-N 1 2 254.294 -1.271 20 0 CAADLO C[C@@H](C[N@H+](C)[C@@H](C)C(N)=O)NC(=O)c1nc[nH]n1 ZINC001322269386 884547250 /nfs/dbraw/zinc/54/72/50/884547250.db2.gz NKKLQTFAIIOGDY-BQBZGAKWSA-N 1 2 254.294 -1.271 20 0 CAADLO C[C@@H](C[N@@H+](C)[C@@H](C)C(N)=O)NC(=O)c1nc[nH]n1 ZINC001322269386 884547258 /nfs/dbraw/zinc/54/72/58/884547258.db2.gz NKKLQTFAIIOGDY-BQBZGAKWSA-N 1 2 254.294 -1.271 20 0 CAADLO CN(C(=O)[C@H]1CCC(=O)N1)C1C[NH+](CCOCCO)C1 ZINC001323897963 884640268 /nfs/dbraw/zinc/64/02/68/884640268.db2.gz GLLXRCNPVWRJDE-LLVKDONJSA-N 1 2 285.344 -1.584 20 0 CAADLO CN(C)S(=O)(=O)NCCNC(=O)CCn1cc[nH+]c1 ZINC001324341146 884663219 /nfs/dbraw/zinc/66/32/19/884663219.db2.gz XNEZEHFZOIQPCJ-UHFFFAOYSA-N 1 2 289.361 -1.215 20 0 CAADLO O=C1CC[C@@H](C[N@@H+]2CCN3C(=O)C(=O)NC[C@@H]3C2)O1 ZINC001324630240 884682574 /nfs/dbraw/zinc/68/25/74/884682574.db2.gz KSAHJHQBKOJISC-BDAKNGLRSA-N 1 2 267.285 -1.665 20 0 CAADLO O=C1CC[C@@H](C[N@H+]2CCN3C(=O)C(=O)NC[C@@H]3C2)O1 ZINC001324630240 884682583 /nfs/dbraw/zinc/68/25/83/884682583.db2.gz KSAHJHQBKOJISC-BDAKNGLRSA-N 1 2 267.285 -1.665 20 0 CAADLO O=C1CC[C@H](C[N@@H+]2CCN3C(=O)C(=O)NC[C@H]3C2)O1 ZINC001324630241 884683261 /nfs/dbraw/zinc/68/32/61/884683261.db2.gz KSAHJHQBKOJISC-DTWKUNHWSA-N 1 2 267.285 -1.665 20 0 CAADLO O=C1CC[C@H](C[N@H+]2CCN3C(=O)C(=O)NC[C@H]3C2)O1 ZINC001324630241 884683272 /nfs/dbraw/zinc/68/32/72/884683272.db2.gz KSAHJHQBKOJISC-DTWKUNHWSA-N 1 2 267.285 -1.665 20 0 CAADLO O=C(NC[C@@]1(O)CC[N@@H+](CCF)C1)c1ncn[nH]1 ZINC001325141945 884714062 /nfs/dbraw/zinc/71/40/62/884714062.db2.gz QVGDTBHCZBISBW-JTQLQIEISA-N 1 2 257.269 -1.059 20 0 CAADLO C[C@@H](O)C[NH+]1CC(O)(CNC(=O)c2cccnn2)C1 ZINC001325294221 884726452 /nfs/dbraw/zinc/72/64/52/884726452.db2.gz RKLGBOHYDKAHLR-SECBINFHSA-N 1 2 266.301 -1.366 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+]1CCC[C@](CO)(NC(=O)C(N)=O)C1 ZINC001325848626 884747195 /nfs/dbraw/zinc/74/71/95/884747195.db2.gz PNIVGPJJAWOUGC-PELKAZGASA-N 1 2 286.332 -2.451 20 0 CAADLO C[C@H]([NH3+])[C@H](C)NC(=O)Cn1[nH]cc2c(=O)ncnc1-2 ZINC001326289330 884781127 /nfs/dbraw/zinc/78/11/27/884781127.db2.gz RLTWHYKXAABPKZ-BQBZGAKWSA-N 1 2 264.289 -1.077 20 0 CAADLO Cn1cc(N2C(=O)C[C@@H]([NH2+]CC(N)=O)C2=O)cn1 ZINC001326654977 884817536 /nfs/dbraw/zinc/81/75/36/884817536.db2.gz QJFCXSIGAHOGDR-SSDOTTSWSA-N 1 2 251.246 -1.873 20 0 CAADLO CC[N@@H+]1CCOC[C@@H]1CNC(=O)CN1C(=O)CNC1=O ZINC001326666456 884820359 /nfs/dbraw/zinc/82/03/59/884820359.db2.gz DRUWHPLINZQKBX-VIFPVBQESA-N 1 2 284.316 -1.625 20 0 CAADLO CC[N@H+]1CCOC[C@@H]1CNC(=O)CN1C(=O)CNC1=O ZINC001326666456 884820361 /nfs/dbraw/zinc/82/03/61/884820361.db2.gz DRUWHPLINZQKBX-VIFPVBQESA-N 1 2 284.316 -1.625 20 0 CAADLO COCC[NH+]1CCN(C(=O)C(=O)N[C@H](C)COC)CC1 ZINC001326759612 884829613 /nfs/dbraw/zinc/82/96/13/884829613.db2.gz RPAUNXPHHPNUEA-LLVKDONJSA-N 1 2 287.360 -1.072 20 0 CAADLO O=C(NCCc1[nH]cc[nH+]1)[C@@H]1CCS(=O)(=O)N1 ZINC001327280026 884876121 /nfs/dbraw/zinc/87/61/21/884876121.db2.gz ZYQBMLMYAGTKLG-ZETCQYMHSA-N 1 2 258.303 -1.240 20 0 CAADLO NC(=O)[C@]1([NH2+]CC(=O)Nc2cnccn2)CCOC1 ZINC001327535836 884896538 /nfs/dbraw/zinc/89/65/38/884896538.db2.gz STVHWVBHFLMKST-NSHDSACASA-N 1 2 265.273 -1.351 20 0 CAADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)NCC[S@](C)=O ZINC001327657979 884916958 /nfs/dbraw/zinc/91/69/58/884916958.db2.gz OZVDHJLDDDBXSN-UGZDLDLSSA-N 1 2 286.357 -1.118 20 0 CAADLO C[C@H](c1nnnn1C1CC1)[N@H+]1CC[C@](O)(C(N)=O)C1 ZINC001327836848 884933859 /nfs/dbraw/zinc/93/38/59/884933859.db2.gz YAXIYELUGCIMOQ-RDDDGLTNSA-N 1 2 266.305 -1.009 20 0 CAADLO NC(=O)C[C@H]1C[N@H+](CCN2CCNC2=O)CCO1 ZINC001328900407 885035418 /nfs/dbraw/zinc/03/54/18/885035418.db2.gz HFKXOYOPFXJZSS-VIFPVBQESA-N 1 2 256.306 -1.412 20 0 CAADLO NC(=O)C[C@H]1C[N@@H+](CCN2CCNC2=O)CCO1 ZINC001328900407 885035431 /nfs/dbraw/zinc/03/54/31/885035431.db2.gz HFKXOYOPFXJZSS-VIFPVBQESA-N 1 2 256.306 -1.412 20 0 CAADLO CNS(=O)(=O)CC(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC001329104277 885060987 /nfs/dbraw/zinc/06/09/87/885060987.db2.gz GFSHJINNFAMPEY-SSDOTTSWSA-N 1 2 258.303 -1.007 20 0 CAADLO O=C(C[C@H]1C[NH2+]CCO1)NCCCc1n[nH]c(=O)[nH]1 ZINC001329283000 885084080 /nfs/dbraw/zinc/08/40/80/885084080.db2.gz XVAPYCCESRFSAU-QMMMGPOBSA-N 1 2 269.305 -1.062 20 0 CAADLO NC(=O)C1=NO[C@@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001329262609 885085427 /nfs/dbraw/zinc/08/54/27/885085427.db2.gz LKWCVQBUQDYZDT-ZCFIWIBFSA-N 1 2 251.246 -1.301 20 0 CAADLO CC(=O)OC[C@@H](CO)NC(=O)/C=C/C[NH+]1CCOCC1 ZINC001329476862 885106028 /nfs/dbraw/zinc/10/60/28/885106028.db2.gz LCNXGLAAUGBOGC-QAVQXKDTSA-N 1 2 286.328 -1.085 20 0 CAADLO Cn1c[nH+]cc1CNC(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1 ZINC001329819895 885141431 /nfs/dbraw/zinc/14/14/31/885141431.db2.gz BXZRNLXQGADHBQ-GMTAPVOTSA-N 1 2 267.285 -1.551 20 0 CAADLO C[C@H]1NC(=O)N(CC[N@@H+]2CCO[C@H](CC(N)=O)C2)C1=O ZINC001329929160 885156912 /nfs/dbraw/zinc/15/69/12/885156912.db2.gz JEUYHCJMJBVFLD-RKDXNWHRSA-N 1 2 284.316 -1.497 20 0 CAADLO C[C@H]1NC(=O)N(CC[N@H+]2CCO[C@H](CC(N)=O)C2)C1=O ZINC001329929160 885156920 /nfs/dbraw/zinc/15/69/20/885156920.db2.gz JEUYHCJMJBVFLD-RKDXNWHRSA-N 1 2 284.316 -1.497 20 0 CAADLO CNC(=O)[C@@H]1C[N@H+](CCc2nnnn2C)CCO1 ZINC001330671201 885220641 /nfs/dbraw/zinc/22/06/41/885220641.db2.gz DFHBEHSLZOFISL-QMMMGPOBSA-N 1 2 254.294 -1.801 20 0 CAADLO CNC(=O)[C@@H]1C[N@@H+](CCc2nnnn2C)CCO1 ZINC001330671201 885220657 /nfs/dbraw/zinc/22/06/57/885220657.db2.gz DFHBEHSLZOFISL-QMMMGPOBSA-N 1 2 254.294 -1.801 20 0 CAADLO CC(=O)NCCOCC[N@@H+](C)Cc1nc(=O)n(C)[nH]1 ZINC001331087911 885250652 /nfs/dbraw/zinc/25/06/52/885250652.db2.gz JIGDQJIQDWHRTF-UHFFFAOYSA-N 1 2 271.321 -1.307 20 0 CAADLO CC(=O)NCCOCC[N@H+](C)Cc1nc(=O)n(C)[nH]1 ZINC001331087911 885250669 /nfs/dbraw/zinc/25/06/69/885250669.db2.gz JIGDQJIQDWHRTF-UHFFFAOYSA-N 1 2 271.321 -1.307 20 0 CAADLO O=C1CNC(=O)N1CC[N@@H+]1CCN2C(=O)NC[C@H]2C1 ZINC001331420622 885278154 /nfs/dbraw/zinc/27/81/54/885278154.db2.gz ZJDLUDXCZCHPLD-QMMMGPOBSA-N 1 2 267.289 -1.752 20 0 CAADLO O=C1CNC(=O)N1CC[N@H+]1CCN2C(=O)NC[C@H]2C1 ZINC001331420622 885278174 /nfs/dbraw/zinc/27/81/74/885278174.db2.gz ZJDLUDXCZCHPLD-QMMMGPOBSA-N 1 2 267.289 -1.752 20 0 CAADLO C[C@H](NC(=O)[C@H]1CCNC1=O)[C@@H]1CN(C)CC[N@@H+]1C ZINC001331578900 885292047 /nfs/dbraw/zinc/29/20/47/885292047.db2.gz GAGMYWKNHOYGTI-DCAQKATOSA-N 1 2 268.361 -1.127 20 0 CAADLO C[C@H](NC(=O)[C@H]1CCNC1=O)[C@@H]1CN(C)CC[N@H+]1C ZINC001331578900 885292065 /nfs/dbraw/zinc/29/20/65/885292065.db2.gz GAGMYWKNHOYGTI-DCAQKATOSA-N 1 2 268.361 -1.127 20 0 CAADLO Cn1ncnc1C[NH2+][C@@H](CO)CNC(=O)C(F)F ZINC001331669024 885303300 /nfs/dbraw/zinc/30/33/00/885303300.db2.gz XSJNZVBZKUORJM-ZCFIWIBFSA-N 1 2 263.248 -1.353 20 0 CAADLO COCC(=O)NC[C@@H](CO)[NH2+]Cc1cn(C)nn1 ZINC001331662306 885304988 /nfs/dbraw/zinc/30/49/88/885304988.db2.gz GWHKZFMGINJLHJ-VIFPVBQESA-N 1 2 257.294 -1.972 20 0 CAADLO NC(=O)C(=O)NC[C@H](CO)[NH2+]Cc1cnns1 ZINC001331775993 885346528 /nfs/dbraw/zinc/34/65/28/885346528.db2.gz WLVGRKPWQMLXCA-RXMQYKEDSA-N 1 2 259.291 -2.410 20 0 CAADLO OCCOCC[N@@H+]1CCO[C@H](Cn2ccnn2)C1 ZINC001331790736 885347665 /nfs/dbraw/zinc/34/76/65/885347665.db2.gz JCXCMAPXBBTKDG-NSHDSACASA-N 1 2 256.306 -1.012 20 0 CAADLO OCCOCC[N@H+]1CCO[C@H](Cn2ccnn2)C1 ZINC001331790736 885347687 /nfs/dbraw/zinc/34/76/87/885347687.db2.gz JCXCMAPXBBTKDG-NSHDSACASA-N 1 2 256.306 -1.012 20 0 CAADLO COC(=O)[C@H](CO)NC(=O)/C=C\C[NH+]1CCOCC1 ZINC001331928857 885362693 /nfs/dbraw/zinc/36/26/93/885362693.db2.gz HIDDMQAXOLTADK-ZMWSMAPVSA-N 1 2 272.301 -1.475 20 0 CAADLO O=C(Cc1c[nH]c[nH+]1)NN1CCS(=O)(=O)CC1 ZINC001332260906 885393080 /nfs/dbraw/zinc/39/30/80/885393080.db2.gz WZXSLEMQAJULEV-UHFFFAOYSA-N 1 2 258.303 -1.286 20 0 CAADLO O=C(C[N@H+]1CC[C@@H](O)[C@@H](O)C1)NC[C@H]1CCCO1 ZINC001333441673 885480036 /nfs/dbraw/zinc/48/00/36/885480036.db2.gz FNTATCNYQDUBRT-MXWKQRLJSA-N 1 2 258.318 -1.291 20 0 CAADLO O=C(C[N@@H+]1CC[C@@H](O)[C@@H](O)C1)NC[C@H]1CCCO1 ZINC001333441673 885480044 /nfs/dbraw/zinc/48/00/44/885480044.db2.gz FNTATCNYQDUBRT-MXWKQRLJSA-N 1 2 258.318 -1.291 20 0 CAADLO NC(=O)CN1CC[N@@H+](C[C@@H]2CNC(=O)C2)CC1=O ZINC001333605277 885492879 /nfs/dbraw/zinc/49/28/79/885492879.db2.gz LMKUYQOMXFUNSJ-QMMMGPOBSA-N 1 2 254.290 -2.248 20 0 CAADLO Cn1cnc(C(=O)N2CC[N@H+](C)[C@H](CO)C2)cc1=O ZINC001334235262 885530463 /nfs/dbraw/zinc/53/04/63/885530463.db2.gz PNGUOUCHKKZQAR-VIFPVBQESA-N 1 2 266.301 -1.471 20 0 CAADLO Cn1cnc(C(=O)N2CC[N@@H+](C)[C@H](CO)C2)cc1=O ZINC001334235262 885530468 /nfs/dbraw/zinc/53/04/68/885530468.db2.gz PNGUOUCHKKZQAR-VIFPVBQESA-N 1 2 266.301 -1.471 20 0 CAADLO CC(=O)N1CC(C(=O)N2CC[N@@H+](C)[C@H](CO)C2)C1 ZINC001334250682 885530552 /nfs/dbraw/zinc/53/05/52/885530552.db2.gz GZZAHEMBEZRGMO-NSHDSACASA-N 1 2 255.318 -1.400 20 0 CAADLO CC(=O)N1CC(C(=O)N2CC[N@H+](C)[C@H](CO)C2)C1 ZINC001334250682 885530569 /nfs/dbraw/zinc/53/05/69/885530569.db2.gz GZZAHEMBEZRGMO-NSHDSACASA-N 1 2 255.318 -1.400 20 0 CAADLO COCC[NH+]1CCN(C(=O)C(=O)N[C@@H](C)COC)CC1 ZINC001334685810 885558110 /nfs/dbraw/zinc/55/81/10/885558110.db2.gz RPAUNXPHHPNUEA-NSHDSACASA-N 1 2 287.360 -1.072 20 0 CAADLO CNC(=O)[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CCO1 ZINC001334918329 885572217 /nfs/dbraw/zinc/57/22/17/885572217.db2.gz LUMCMRRMIMGYOL-SECBINFHSA-N 1 2 252.274 -1.074 20 0 CAADLO CC(C)[C@H](NC=O)C(=O)N[C@H]1CCC[N@H+](CC(N)=O)C1 ZINC001335011076 885576846 /nfs/dbraw/zinc/57/68/46/885576846.db2.gz WJLTZDINXJURPP-JQWIXIFHSA-N 1 2 284.360 -1.177 20 0 CAADLO CC(C)[C@H](NC=O)C(=O)N[C@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001335011076 885576853 /nfs/dbraw/zinc/57/68/53/885576853.db2.gz WJLTZDINXJURPP-JQWIXIFHSA-N 1 2 284.360 -1.177 20 0 CAADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)N[C@@H]1CNOC1 ZINC001335376049 885616387 /nfs/dbraw/zinc/61/63/87/885616387.db2.gz REYKOFXIRXOEDK-VHSXEESVSA-N 1 2 258.322 -1.090 20 0 CAADLO C[N@@H+](CCO)Cc1cn(CC(=O)NC2CC2)nn1 ZINC001336879731 885684227 /nfs/dbraw/zinc/68/42/27/885684227.db2.gz VVQNKJULQPGFFM-UHFFFAOYSA-N 1 2 253.306 -1.019 20 0 CAADLO C[C@]12C[N@@H+]([C@@H]3CC(=O)NC3=O)C[C@H]1CS(=O)(=O)C2 ZINC001337681921 885719304 /nfs/dbraw/zinc/71/93/04/885719304.db2.gz OHZAKYKHKDQZJC-VAOFZXAKSA-N 1 2 272.326 -1.232 20 0 CAADLO C[C@]12C[N@H+]([C@@H]3CC(=O)NC3=O)C[C@H]1CS(=O)(=O)C2 ZINC001337681921 885719314 /nfs/dbraw/zinc/71/93/14/885719314.db2.gz OHZAKYKHKDQZJC-VAOFZXAKSA-N 1 2 272.326 -1.232 20 0 CAADLO C[C@H](CO)[N@@H+](Cc1nc(N)nc(N)n1)C[C@H](C)O ZINC001338723563 885757042 /nfs/dbraw/zinc/75/70/42/885757042.db2.gz IAEKJTPRCNBZJN-RQJHMYQMSA-N 1 2 256.310 -1.400 20 0 CAADLO C[C@H](CO)[N@H+](Cc1nc(N)nc(N)n1)C[C@H](C)O ZINC001338723563 885757050 /nfs/dbraw/zinc/75/70/50/885757050.db2.gz IAEKJTPRCNBZJN-RQJHMYQMSA-N 1 2 256.310 -1.400 20 0 CAADLO C[N@@H+]1CCO[C@@H](C(=O)Nc2cnn(CC(N)=O)c2)C1 ZINC001339760689 885778356 /nfs/dbraw/zinc/77/83/56/885778356.db2.gz XPQQDKKZPAWZOK-SECBINFHSA-N 1 2 267.289 -1.363 20 0 CAADLO C[N@H+]1CCO[C@@H](C(=O)Nc2cnn(CC(N)=O)c2)C1 ZINC001339760689 885778366 /nfs/dbraw/zinc/77/83/66/885778366.db2.gz XPQQDKKZPAWZOK-SECBINFHSA-N 1 2 267.289 -1.363 20 0 CAADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)N(C)CCO ZINC001340660186 885808719 /nfs/dbraw/zinc/80/87/19/885808719.db2.gz RUCOTUVCYNCWAY-VIFPVBQESA-N 1 2 254.290 -1.162 20 0 CAADLO O=C1CC[C@H]2C[N@H+](CCN3C(=O)CNC3=O)CCN12 ZINC001341423269 885837747 /nfs/dbraw/zinc/83/77/47/885837747.db2.gz DURRLVANVXLOEM-VIFPVBQESA-N 1 2 266.301 -1.155 20 0 CAADLO O=C1CC[C@H]2C[N@@H+](CCN3C(=O)CNC3=O)CCN12 ZINC001341423269 885837760 /nfs/dbraw/zinc/83/77/60/885837760.db2.gz DURRLVANVXLOEM-VIFPVBQESA-N 1 2 266.301 -1.155 20 0 CAADLO CNC(=O)[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)CCO1 ZINC001342105649 885870942 /nfs/dbraw/zinc/87/09/42/885870942.db2.gz JWBSPZWFOSQUMX-VIFPVBQESA-N 1 2 269.301 -1.418 20 0 CAADLO CNC(=O)[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)CCO1 ZINC001342105649 885870954 /nfs/dbraw/zinc/87/09/54/885870954.db2.gz JWBSPZWFOSQUMX-VIFPVBQESA-N 1 2 269.301 -1.418 20 0 CAADLO COC(=O)c1cnoc1C[N@@H+]1CC[C@@](O)(C(N)=O)C1 ZINC001342932391 885901966 /nfs/dbraw/zinc/90/19/66/885901966.db2.gz UVVGMALGLZYJLA-NSHDSACASA-N 1 2 269.257 -1.117 20 0 CAADLO COC(=O)c1cnoc1C[N@H+]1CC[C@@](O)(C(N)=O)C1 ZINC001342932391 885901976 /nfs/dbraw/zinc/90/19/76/885901976.db2.gz UVVGMALGLZYJLA-NSHDSACASA-N 1 2 269.257 -1.117 20 0 CAADLO CN1C[C@@H](C(=O)NCCCn2cc[nH+]c2)NCC1=O ZINC001343339669 885911171 /nfs/dbraw/zinc/91/11/71/885911171.db2.gz LNXFKRSZFBTRHB-JTQLQIEISA-N 1 2 265.317 -1.180 20 0 CAADLO C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N(C)c1nn[nH]n1 ZINC001347324690 886037651 /nfs/dbraw/zinc/03/76/51/886037651.db2.gz BJMPOTMNYGVIMV-HTQZYQBOSA-N 1 2 251.294 -1.449 20 0 CAADLO C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N(C)c1nn[nH]n1 ZINC001347324690 886037662 /nfs/dbraw/zinc/03/76/62/886037662.db2.gz BJMPOTMNYGVIMV-HTQZYQBOSA-N 1 2 251.294 -1.449 20 0 CAADLO C[C@@H](NC(=O)Cn1ncnn1)[C@@H]1CN(C)CC[N@@H+]1C ZINC001347789464 886054998 /nfs/dbraw/zinc/05/49/98/886054998.db2.gz YEMZYWRUVJMBOD-ZJUUUORDSA-N 1 2 267.337 -1.576 20 0 CAADLO C[C@@H](NC(=O)Cn1ncnn1)[C@@H]1CN(C)CC[N@H+]1C ZINC001347789464 886055008 /nfs/dbraw/zinc/05/50/08/886055008.db2.gz YEMZYWRUVJMBOD-ZJUUUORDSA-N 1 2 267.337 -1.576 20 0 CAADLO O=C(CNC(=O)[C@@H]1CCc2c[nH+]cn2C1)NCCO ZINC001347677556 886049513 /nfs/dbraw/zinc/04/95/13/886049513.db2.gz FLTCAWGEUPRCPH-SECBINFHSA-N 1 2 266.301 -1.330 20 0 CAADLO NC(=O)C[C@@H]1C[N@H+](CCCS(N)(=O)=O)CCO1 ZINC001348247118 886065468 /nfs/dbraw/zinc/06/54/68/886065468.db2.gz JJNLHIORDVCOKC-MRVPVSSYSA-N 1 2 265.335 -1.759 20 0 CAADLO NC(=O)C[C@@H]1C[N@@H+](CCCS(N)(=O)=O)CCO1 ZINC001348247118 886065472 /nfs/dbraw/zinc/06/54/72/886065472.db2.gz JJNLHIORDVCOKC-MRVPVSSYSA-N 1 2 265.335 -1.759 20 0 CAADLO CN(C)S(=O)(=O)NCCNC(=O)CCc1[nH]cc[nH+]1 ZINC001349649363 886140454 /nfs/dbraw/zinc/14/04/54/886140454.db2.gz DDAVXLIZLOAKPB-UHFFFAOYSA-N 1 2 289.361 -1.146 20 0 CAADLO O=C(Cc1c[nH]c[nH+]1)NCCN1CCNC(=O)C1 ZINC001350716287 886181404 /nfs/dbraw/zinc/18/14/04/886181404.db2.gz MBEXYVRMHZYYLH-UHFFFAOYSA-N 1 2 251.290 -1.500 20 0 CAADLO O=C(CCc1nn[nH]n1)NCCC[NH+]1CCOCC1 ZINC001351738218 886230112 /nfs/dbraw/zinc/23/01/12/886230112.db2.gz ZSHCNNXOHZUFRR-UHFFFAOYSA-N 1 2 268.321 -1.029 20 0 CAADLO COC[C@H](CO)[NH2+]Cc1cn(CC(=O)OC)nn1 ZINC001353559385 886279710 /nfs/dbraw/zinc/27/97/10/886279710.db2.gz GIRGHXCGZQYPIA-VIFPVBQESA-N 1 2 258.278 -1.452 20 0 CAADLO CN1CC[N@H+](C)[C@@H](CNC(=O)CCn2cnnn2)C1 ZINC001353994262 886296008 /nfs/dbraw/zinc/29/60/08/886296008.db2.gz NLAZPQFVHXFQPJ-JTQLQIEISA-N 1 2 267.337 -1.575 20 0 CAADLO CN1CC[N@@H+](C)[C@@H](CNC(=O)CCn2cnnn2)C1 ZINC001353994262 886296029 /nfs/dbraw/zinc/29/60/29/886296029.db2.gz NLAZPQFVHXFQPJ-JTQLQIEISA-N 1 2 267.337 -1.575 20 0 CAADLO COC[C@@H](CO)[NH2+]Cc1cn(CC(=O)OC)nn1 ZINC001353559313 886281447 /nfs/dbraw/zinc/28/14/47/886281447.db2.gz GIRGHXCGZQYPIA-SECBINFHSA-N 1 2 258.278 -1.452 20 0 CAADLO O=C(CN1CC[NH2+]CC1=O)N1CC[C@H](O)[C@H](F)C1 ZINC001355571028 886345900 /nfs/dbraw/zinc/34/59/00/886345900.db2.gz KGTHWYKVQFQLDX-BDAKNGLRSA-N 1 2 259.281 -1.651 20 0 CAADLO CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)[C@H]1CCCNC1=O ZINC001356632051 886370736 /nfs/dbraw/zinc/37/07/36/886370736.db2.gz TUOXRSGUTAEMPI-UWVGGRQHSA-N 1 2 283.328 -1.124 20 0 CAADLO CC[NH+]1CCN(C(=O)[C@@]2(C(=O)[O-])C[NH2+]CCO2)CC1 ZINC001357326880 886401063 /nfs/dbraw/zinc/40/10/63/886401063.db2.gz PDSIDFIKPYAESG-GFCCVEGCSA-N 1 2 271.317 -1.406 20 0 CAADLO Cc1[nH+]c[nH]c1CNC(=O)[C@H]1CN(C)C(=O)CN1 ZINC001357428793 886405190 /nfs/dbraw/zinc/40/51/90/886405190.db2.gz RQGZCJUJHIIGPJ-SECBINFHSA-N 1 2 251.290 -1.235 20 0 CAADLO CC[C@H](CNC(=O)CC(N)=O)NC(=O)Cc1c[nH]c[nH+]1 ZINC001356875591 886387627 /nfs/dbraw/zinc/38/76/27/886387627.db2.gz TXFCPDLHZOVFJC-MRVPVSSYSA-N 1 2 281.316 -1.161 20 0 CAADLO Cn1c[nH+]cc1CC(=O)NC[C@H](O)CNC(=O)C(N)=O ZINC001357450065 886409566 /nfs/dbraw/zinc/40/95/66/886409566.db2.gz CDBMUBWWYVYJMX-QMMMGPOBSA-N 1 2 283.288 -2.959 20 0 CAADLO C[C@H](CNC(=O)C(N)=O)NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001358184280 886420692 /nfs/dbraw/zinc/42/06/92/886420692.db2.gz UEUGRLPDTITWJI-HTQZYQBOSA-N 1 2 281.316 -1.306 20 0 CAADLO C[C@H](CNC(=O)C(N)=O)NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001358184280 886420702 /nfs/dbraw/zinc/42/07/02/886420702.db2.gz UEUGRLPDTITWJI-HTQZYQBOSA-N 1 2 281.316 -1.306 20 0 CAADLO CC(=O)NC[C@]1(O)CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001358859633 886445790 /nfs/dbraw/zinc/44/57/90/886445790.db2.gz PRKNBMBIIXHRKJ-GFCCVEGCSA-N 1 2 266.301 -1.017 20 0 CAADLO CC1(C)C[N@@H+](CCNC(=O)Cn2nnc(N)n2)CCO1 ZINC001361980667 886511848 /nfs/dbraw/zinc/51/18/48/886511848.db2.gz ZGYBGBOZIVSHQC-UHFFFAOYSA-N 1 2 283.336 -1.518 20 0 CAADLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)Cn1nnc(N)n1 ZINC001362109121 886538596 /nfs/dbraw/zinc/53/85/96/886538596.db2.gz AGGNZYPAJZHFRK-SECBINFHSA-N 1 2 282.352 -1.993 20 0 CAADLO C[C@H]1COCC[N@H+]1CCNC(=O)[C@H](CO)NC(N)=O ZINC001362065487 886527912 /nfs/dbraw/zinc/52/79/12/886527912.db2.gz KHADTGDOGQXKOF-IUCAKERBSA-N 1 2 274.321 -2.148 20 0 CAADLO COC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1CCC[N@H+](CC(N)=O)C1 ZINC001362240754 886564188 /nfs/dbraw/zinc/56/41/88/886564188.db2.gz BGCACNDWFVWMRD-KXUCPTDWSA-N 1 2 283.328 -1.139 20 0 CAADLO COC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001362240754 886564205 /nfs/dbraw/zinc/56/42/05/886564205.db2.gz BGCACNDWFVWMRD-KXUCPTDWSA-N 1 2 283.328 -1.139 20 0 CAADLO O=C(Cc1c[nH]c[nH+]1)NC[C@]1(O)CCS(=O)(=O)C1 ZINC001362456756 886619888 /nfs/dbraw/zinc/61/98/88/886619888.db2.gz XVSXDEAELMDDOQ-SNVBAGLBSA-N 1 2 273.314 -1.382 20 0 CAADLO C[NH+](C)C1CN(C(=O)C2(CS(C)(=O)=O)COC2)C1 ZINC001362790227 886710807 /nfs/dbraw/zinc/71/08/07/886710807.db2.gz SILSDELQGYGPOJ-UHFFFAOYSA-N 1 2 276.358 -1.180 20 0 CAADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H](O)C(C)(C)O ZINC001362814016 886716298 /nfs/dbraw/zinc/71/62/98/886716298.db2.gz QWOMQFQLMKYIQD-DTWKUNHWSA-N 1 2 285.300 -1.258 20 0 CAADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H](O)C(C)(C)O ZINC001362814016 886716307 /nfs/dbraw/zinc/71/63/07/886716307.db2.gz QWOMQFQLMKYIQD-DTWKUNHWSA-N 1 2 285.300 -1.258 20 0 CAADLO CS(=O)(=O)CC(=O)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC001362876360 886734623 /nfs/dbraw/zinc/73/46/23/886734623.db2.gz UVPDSVJQFGCXQX-UWVGGRQHSA-N 1 2 276.358 -1.302 20 0 CAADLO CS(=O)(=O)CC(=O)N1CC[C@H]([N@H+]2CC[C@H](O)C2)C1 ZINC001362876360 886734630 /nfs/dbraw/zinc/73/46/30/886734630.db2.gz UVPDSVJQFGCXQX-UWVGGRQHSA-N 1 2 276.358 -1.302 20 0 CAADLO CS(=O)(=O)CC(=O)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC001362876359 886735374 /nfs/dbraw/zinc/73/53/74/886735374.db2.gz UVPDSVJQFGCXQX-NXEZZACHSA-N 1 2 276.358 -1.302 20 0 CAADLO CS(=O)(=O)CC(=O)N1CC[C@@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC001362876359 886735385 /nfs/dbraw/zinc/73/53/85/886735385.db2.gz UVPDSVJQFGCXQX-NXEZZACHSA-N 1 2 276.358 -1.302 20 0 CAADLO NS(=O)(=O)NC1CN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001363181254 886820474 /nfs/dbraw/zinc/82/04/74/886820474.db2.gz RJXMKGCQUWOIQO-UHFFFAOYSA-N 1 2 273.318 -1.654 20 0 CAADLO O=C(NCC[N@H+]1CC[C@@H](O)C1)C1=CCS(=O)(=O)C1 ZINC001363505071 886921387 /nfs/dbraw/zinc/92/13/87/886921387.db2.gz CFPOFVMVAGNSIE-SNVBAGLBSA-N 1 2 274.342 -1.476 20 0 CAADLO O=C(NCC[N@@H+]1CC[C@@H](O)C1)C1=CCS(=O)(=O)C1 ZINC001363505071 886921399 /nfs/dbraw/zinc/92/13/99/886921399.db2.gz CFPOFVMVAGNSIE-SNVBAGLBSA-N 1 2 274.342 -1.476 20 0 CAADLO COCC[C@@](C)(O)CNS(=O)(=O)N1CC[NH+](C)CC1 ZINC001363768805 886977393 /nfs/dbraw/zinc/97/73/93/886977393.db2.gz LMPZUNLZMTYHED-LLVKDONJSA-N 1 2 295.405 -1.144 20 0 CAADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CS(C)(=O)=O ZINC001363798073 886984619 /nfs/dbraw/zinc/98/46/19/886984619.db2.gz CNOYGXJFMPVCTH-QMMMGPOBSA-N 1 2 288.329 -1.772 20 0 CAADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CS(C)(=O)=O ZINC001363798073 886984635 /nfs/dbraw/zinc/98/46/35/886984635.db2.gz CNOYGXJFMPVCTH-QMMMGPOBSA-N 1 2 288.329 -1.772 20 0 CAADLO COC(=O)CNC(=O)C[NH2+]Cc1cc(C(=O)OC)no1 ZINC001363924698 887005418 /nfs/dbraw/zinc/00/54/18/887005418.db2.gz ZUHOKZXTIJSORU-UHFFFAOYSA-N 1 2 285.256 -1.160 20 0 CAADLO CC(C)[C@@H](NS(=O)(=O)N1CC[NH+](C)CC1)C(N)=O ZINC001364001046 887019314 /nfs/dbraw/zinc/01/93/14/887019314.db2.gz RFVRNEXQAYUFGR-SECBINFHSA-N 1 2 278.378 -1.422 20 0 CAADLO CN(C)C(=O)C[N@@H+]1CCCN(C(=O)C2(O)COC2)CC1 ZINC001364031837 887021562 /nfs/dbraw/zinc/02/15/62/887021562.db2.gz UUGFHBNDUXOVOH-UHFFFAOYSA-N 1 2 285.344 -1.630 20 0 CAADLO CN(C)C(=O)C[N@H+]1CCCN(C(=O)C2(O)COC2)CC1 ZINC001364031837 887021574 /nfs/dbraw/zinc/02/15/74/887021574.db2.gz UUGFHBNDUXOVOH-UHFFFAOYSA-N 1 2 285.344 -1.630 20 0 CAADLO CCN(CC)C(=O)CNS(=O)(=O)N1CC[NH+](C)CC1 ZINC001364069150 887029400 /nfs/dbraw/zinc/02/94/00/887029400.db2.gz LAMAZYQNKGLXEX-UHFFFAOYSA-N 1 2 292.405 -1.063 20 0 CAADLO CO[C@@H]1CS(=O)(=O)C[C@@H]1[N@@H+]1CC[C@@H](CO)[C@@H](O)C1 ZINC001364405235 887079360 /nfs/dbraw/zinc/07/93/60/887079360.db2.gz SNPRBDBXFCJGOG-XWLWVQCSSA-N 1 2 279.358 -1.527 20 0 CAADLO CO[C@@H]1CS(=O)(=O)C[C@@H]1[N@H+]1CC[C@@H](CO)[C@@H](O)C1 ZINC001364405235 887079367 /nfs/dbraw/zinc/07/93/67/887079367.db2.gz SNPRBDBXFCJGOG-XWLWVQCSSA-N 1 2 279.358 -1.527 20 0 CAADLO O=C(C[N@@H+]1C[C@@H](O)[C@H](CO)C1)NCC(=O)N1CCCC1 ZINC001364419714 887084320 /nfs/dbraw/zinc/08/43/20/887084320.db2.gz WTARLBYMIKNPTB-WDEREUQCSA-N 1 2 285.344 -1.990 20 0 CAADLO O=C(C[N@H+]1C[C@@H](O)[C@H](CO)C1)NCC(=O)N1CCCC1 ZINC001364419714 887084328 /nfs/dbraw/zinc/08/43/28/887084328.db2.gz WTARLBYMIKNPTB-WDEREUQCSA-N 1 2 285.344 -1.990 20 0 CAADLO CN(C(=O)C[N@@H+]1CCN2CCOC[C@]2(CO)C1)C1CC1 ZINC001364820857 887140197 /nfs/dbraw/zinc/14/01/97/887140197.db2.gz SLOLKLRDKCAIDO-CQSZACIVSA-N 1 2 283.372 -1.014 20 0 CAADLO CN(C(=O)C[N@H+]1CCN2CCOC[C@]2(CO)C1)C1CC1 ZINC001364820857 887140208 /nfs/dbraw/zinc/14/02/08/887140208.db2.gz SLOLKLRDKCAIDO-CQSZACIVSA-N 1 2 283.372 -1.014 20 0 CAADLO CNC(=O)[C@H](O)CNS(=O)(=O)N1CC[NH+](C)CC1 ZINC001364824477 887142815 /nfs/dbraw/zinc/14/28/15/887142815.db2.gz WBKQKWQIZFJYPE-MRVPVSSYSA-N 1 2 280.350 -2.825 20 0 CAADLO CCc1[nH]c(CNC(=O)CNC(=O)CNC(C)=O)c[nH+]1 ZINC001364919724 887154316 /nfs/dbraw/zinc/15/43/16/887154316.db2.gz QPXDMODBHYDZRZ-UHFFFAOYSA-N 1 2 281.316 -1.159 20 0 CAADLO CCc1[nH]cc(CNC(=O)CNC(=O)CNC(C)=O)[nH+]1 ZINC001364919724 887154322 /nfs/dbraw/zinc/15/43/22/887154322.db2.gz QPXDMODBHYDZRZ-UHFFFAOYSA-N 1 2 281.316 -1.159 20 0 CAADLO C[C@H]1C(=O)N(C)CCN1S(=O)(=O)N1CC[NH+](C)CC1 ZINC001364855165 887146071 /nfs/dbraw/zinc/14/60/71/887146071.db2.gz YUTZICLVAMTCHD-JTQLQIEISA-N 1 2 290.389 -1.359 20 0 CAADLO O=S(=O)(CCn1cc[nH+]c1)N1CC[C@H](O)[C@@H](CO)C1 ZINC001364869007 887148951 /nfs/dbraw/zinc/14/89/51/887148951.db2.gz YBAMXTDIJGJPGN-MNOVXSKESA-N 1 2 289.357 -1.112 20 0 CAADLO CN1CCN(S(=O)(=O)N2CC[N@@H+](C)C[C@@H]2CO)CC1 ZINC001364913519 887155006 /nfs/dbraw/zinc/15/50/06/887155006.db2.gz QGPORTFTHZPEPJ-LLVKDONJSA-N 1 2 292.405 -1.913 20 0 CAADLO C[C@H](NC(=O)C[N@@H+]1CC[C@@H](O)[C@@H](O)C1)C(=O)N(C)C ZINC001365323557 887193432 /nfs/dbraw/zinc/19/34/32/887193432.db2.gz XZDGQHDWWWSFRF-AEJSXWLSSA-N 1 2 273.333 -1.993 20 0 CAADLO C[C@H](NC(=O)C[N@H+]1CC[C@@H](O)[C@@H](O)C1)C(=O)N(C)C ZINC001365323557 887193436 /nfs/dbraw/zinc/19/34/36/887193436.db2.gz XZDGQHDWWWSFRF-AEJSXWLSSA-N 1 2 273.333 -1.993 20 0 CAADLO CCN1C[C@H](NS(=O)(=O)N2CC[NH+](C)CC2)CC1=O ZINC001365397181 887206669 /nfs/dbraw/zinc/20/66/69/887206669.db2.gz FEILCZABEJWYLS-SNVBAGLBSA-N 1 2 290.389 -1.311 20 0 CAADLO CNC(=O)[C@@H](O)CNS(=O)(=O)CCn1cc[nH+]c1 ZINC001365699591 887238711 /nfs/dbraw/zinc/23/87/11/887238711.db2.gz LOJPKZDTXIPBTJ-QMMMGPOBSA-N 1 2 276.318 -2.091 20 0 CAADLO CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001366000439 887259990 /nfs/dbraw/zinc/25/99/90/887259990.db2.gz ZFUAFGIYUUQJHD-AEJSXWLSSA-N 1 2 282.344 -1.566 20 0 CAADLO CCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001366000439 887260008 /nfs/dbraw/zinc/26/00/08/887260008.db2.gz ZFUAFGIYUUQJHD-AEJSXWLSSA-N 1 2 282.344 -1.566 20 0 CAADLO CNC(=O)C[N@H+](C)CCNC(=O)c1ccc(C(N)=O)o1 ZINC001366549308 887317881 /nfs/dbraw/zinc/31/78/81/887317881.db2.gz XZFIUWXZSMFABQ-UHFFFAOYSA-N 1 2 282.300 -1.214 20 0 CAADLO CNC(=O)C[N@@H+](C)CCNC(=O)c1ccc(C(N)=O)o1 ZINC001366549308 887317892 /nfs/dbraw/zinc/31/78/92/887317892.db2.gz XZFIUWXZSMFABQ-UHFFFAOYSA-N 1 2 282.300 -1.214 20 0 CAADLO CCN(C)C(=O)C[N@H+](C)CCNC(=O)[C@@H]1COC(=O)N1 ZINC001366525137 887308804 /nfs/dbraw/zinc/30/88/04/887308804.db2.gz QYYGYELYOOBDSS-VIFPVBQESA-N 1 2 286.332 -1.379 20 0 CAADLO CCN(C)C(=O)C[N@@H+](C)CCNC(=O)[C@@H]1COC(=O)N1 ZINC001366525137 887308818 /nfs/dbraw/zinc/30/88/18/887308818.db2.gz QYYGYELYOOBDSS-VIFPVBQESA-N 1 2 286.332 -1.379 20 0 CAADLO COC[C@H](O)C[NH+]1CC(NC(=O)[C@@H](C)CC(N)=O)C1 ZINC001366929886 887349328 /nfs/dbraw/zinc/34/93/28/887349328.db2.gz BNEJFRWIDHZKSH-WCBMZHEXSA-N 1 2 273.333 -1.694 20 0 CAADLO CC[C@H](CNC(=O)[C@@H]1CCC(=O)N1)[NH2+]C[C@H](O)COC ZINC001367133067 887368980 /nfs/dbraw/zinc/36/89/80/887368980.db2.gz NGWYSBGUQZEVTD-VWYCJHECSA-N 1 2 287.360 -1.243 20 0 CAADLO C[C@@H](CC(=O)N[C@@H]1CC[N@H+](CC(N)=O)C1)NC(N)=O ZINC001367025168 887363324 /nfs/dbraw/zinc/36/33/24/887363324.db2.gz IDHXRTJSFSHHIK-JGVFFNPUSA-N 1 2 271.321 -1.891 20 0 CAADLO C[C@@H](CC(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C1)NC(N)=O ZINC001367025168 887363334 /nfs/dbraw/zinc/36/33/34/887363334.db2.gz IDHXRTJSFSHHIK-JGVFFNPUSA-N 1 2 271.321 -1.891 20 0 CAADLO CCNC(=O)C[N@H+](C)CCN(C)C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001367525798 887384676 /nfs/dbraw/zinc/38/46/76/887384676.db2.gz BLKNRPTUNKULBT-JTQLQIEISA-N 1 2 299.375 -1.464 20 0 CAADLO CCNC(=O)C[N@@H+](C)CCN(C)C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001367525798 887384684 /nfs/dbraw/zinc/38/46/84/887384684.db2.gz BLKNRPTUNKULBT-JTQLQIEISA-N 1 2 299.375 -1.464 20 0 CAADLO CN(CC[N@H+](C)CC(=O)NC(N)=O)C(=O)c1cc[nH]n1 ZINC001367504379 887384964 /nfs/dbraw/zinc/38/49/64/887384964.db2.gz AIDXVQGWVAWBJX-UHFFFAOYSA-N 1 2 282.304 -1.392 20 0 CAADLO CN(CC[N@@H+](C)CC(=O)NC(N)=O)C(=O)c1cc[nH]n1 ZINC001367504379 887384972 /nfs/dbraw/zinc/38/49/72/887384972.db2.gz AIDXVQGWVAWBJX-UHFFFAOYSA-N 1 2 282.304 -1.392 20 0 CAADLO CN(CC[N@H+](C)CC(=O)NC(N)=O)C(=O)c1ccn[nH]1 ZINC001367504379 887384980 /nfs/dbraw/zinc/38/49/80/887384980.db2.gz AIDXVQGWVAWBJX-UHFFFAOYSA-N 1 2 282.304 -1.392 20 0 CAADLO CN(CC[N@@H+](C)CC(=O)NC(N)=O)C(=O)c1ccn[nH]1 ZINC001367504379 887384990 /nfs/dbraw/zinc/38/49/90/887384990.db2.gz AIDXVQGWVAWBJX-UHFFFAOYSA-N 1 2 282.304 -1.392 20 0 CAADLO CNC(=O)C[N@@H+](C)CCN(C)C(=O)CN1CCCC1=O ZINC001367525777 887385784 /nfs/dbraw/zinc/38/57/84/887385784.db2.gz RPUBMGCREFMGKD-UHFFFAOYSA-N 1 2 284.360 -1.255 20 0 CAADLO C[C@H](Cn1cc[nH+]c1)NC(=O)N1CC(S(N)(=O)=O)C1 ZINC001367689644 887422199 /nfs/dbraw/zinc/42/21/99/887422199.db2.gz XOLZMAGDRNQVQE-MRVPVSSYSA-N 1 2 287.345 -1.046 20 0 CAADLO COC[C@H](O)C[NH+]1CC(N(C)C(=O)c2ncn(C)n2)C1 ZINC001368076638 887453843 /nfs/dbraw/zinc/45/38/43/887453843.db2.gz ZTLPWFFCYDKEMO-SNVBAGLBSA-N 1 2 283.332 -1.421 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(O)(CNC(=O)C[C@H](C)OC)C1 ZINC001368282323 887468961 /nfs/dbraw/zinc/46/89/61/887468961.db2.gz JUFNJBHYLSFOMB-QWRGUYRKSA-N 1 2 290.360 -1.418 20 0 CAADLO COC[C@H](C)[NH+]1CC(O)(CNC(=O)[C@@H](C)NC(C)=O)C1 ZINC001368282741 887469658 /nfs/dbraw/zinc/46/96/58/887469658.db2.gz XONHHBAKMXEGOV-VHSXEESVSA-N 1 2 287.360 -1.291 20 0 CAADLO O=C(Cn1ncnn1)N[C@@]1(CO)CCC[N@H+](CCF)C1 ZINC001368386448 887484758 /nfs/dbraw/zinc/48/47/58/887484758.db2.gz XBDHOZNTPVXDPB-NSHDSACASA-N 1 2 286.311 -1.414 20 0 CAADLO O=C(Cn1ncnn1)N[C@@]1(CO)CCC[N@@H+](CCF)C1 ZINC001368386448 887484767 /nfs/dbraw/zinc/48/47/67/887484767.db2.gz XBDHOZNTPVXDPB-NSHDSACASA-N 1 2 286.311 -1.414 20 0 CAADLO O=C(C[C@@H]1CCOC1)NC1(CCO)C[NH+](CCO)C1 ZINC001369017334 887516352 /nfs/dbraw/zinc/51/63/52/887516352.db2.gz MLYWLXJMDSJNFE-NSHDSACASA-N 1 2 272.345 -1.042 20 0 CAADLO O=C(NC1(CCO)C[NH+](CCCF)C1)[C@H]1CNC(=O)N1 ZINC001369033774 887519587 /nfs/dbraw/zinc/51/95/87/887519587.db2.gz UTMGVSJVANDDAY-SECBINFHSA-N 1 2 288.323 -1.420 20 0 CAADLO CCCCC(=O)NC[C@H](CO)[NH2+]Cc1nnnn1C ZINC001369306024 887531626 /nfs/dbraw/zinc/53/16/26/887531626.db2.gz FZUDUXAAJGXJLE-SECBINFHSA-N 1 2 270.337 -1.033 20 0 CAADLO COCC[N@@H+](CCNC(=O)c1cn[nH]c1)[C@H](C)C(N)=O ZINC001369552915 887588797 /nfs/dbraw/zinc/58/87/97/887588797.db2.gz KFDAEHFSSYGZOU-SECBINFHSA-N 1 2 283.332 -1.038 20 0 CAADLO CCNC(=O)C[N@H+](C)CCNC(=O)[C@@H](C)NC(C)=O ZINC001371913340 887673668 /nfs/dbraw/zinc/67/36/68/887673668.db2.gz TXOSQMLYEAHIOM-SECBINFHSA-N 1 2 272.349 -1.305 20 0 CAADLO CCNC(=O)C[N@@H+](C)CCNC(=O)[C@@H](C)NC(C)=O ZINC001371913340 887673680 /nfs/dbraw/zinc/67/36/80/887673680.db2.gz TXOSQMLYEAHIOM-SECBINFHSA-N 1 2 272.349 -1.305 20 0 CAADLO CCNC(=O)C[N@H+](C)CCNC(=O)[C@@H]1C[C@@H]1C(=O)OC ZINC001371926480 887677817 /nfs/dbraw/zinc/67/78/17/887677817.db2.gz GEACICXJXHACKC-ZJUUUORDSA-N 1 2 285.344 -1.020 20 0 CAADLO CCNC(=O)C[N@@H+](C)CCNC(=O)[C@@H]1C[C@@H]1C(=O)OC ZINC001371926480 887677824 /nfs/dbraw/zinc/67/78/24/887677824.db2.gz GEACICXJXHACKC-ZJUUUORDSA-N 1 2 285.344 -1.020 20 0 CAADLO CNC(=O)NCC(=O)NCC[N@@H+](C)Cc1cncn1C ZINC001371992774 887683525 /nfs/dbraw/zinc/68/35/25/887683525.db2.gz AWSCQGMWEBIKMD-UHFFFAOYSA-N 1 2 282.348 -1.103 20 0 CAADLO C[N@@H+](CC(N)=O)C[C@@H]1CCN(C(=O)CS(C)(=O)=O)C1 ZINC001373279173 887727450 /nfs/dbraw/zinc/72/74/50/887727450.db2.gz NLXSVAGIYHTBFK-VIFPVBQESA-N 1 2 291.373 -1.703 20 0 CAADLO C[N@H+](CC(N)=O)C[C@@H]1CCN(C(=O)CS(C)(=O)=O)C1 ZINC001373279173 887727466 /nfs/dbraw/zinc/72/74/66/887727466.db2.gz NLXSVAGIYHTBFK-VIFPVBQESA-N 1 2 291.373 -1.703 20 0 CAADLO COC[C@H](O)C[NH+]1CC(NC(=O)CCn2cnnn2)C1 ZINC001373468252 887741687 /nfs/dbraw/zinc/74/16/87/887741687.db2.gz NAFZUWXGFXXORD-SNVBAGLBSA-N 1 2 284.320 -2.129 20 0 CAADLO COCC(=O)N(C)[C@H]1CC[N@H+](Cc2nc(=O)n(C)[nH]2)C1 ZINC001373665022 887759667 /nfs/dbraw/zinc/75/96/67/887759667.db2.gz XYZGMBCMTOVRMA-VIFPVBQESA-N 1 2 283.332 -1.213 20 0 CAADLO COCC(=O)N(C)[C@H]1CC[N@@H+](Cc2nc(=O)n(C)[nH]2)C1 ZINC001373665022 887759676 /nfs/dbraw/zinc/75/96/76/887759676.db2.gz XYZGMBCMTOVRMA-VIFPVBQESA-N 1 2 283.332 -1.213 20 0 CAADLO CCC(=O)N[C@@H](C)C(=O)N[C@H]1CC[N@H+](CC(=O)NC)C1 ZINC001373593020 887751331 /nfs/dbraw/zinc/75/13/31/887751331.db2.gz SQGMJCZRQMYZDT-UWVGGRQHSA-N 1 2 284.360 -1.162 20 0 CAADLO CCC(=O)N[C@@H](C)C(=O)N[C@H]1CC[N@@H+](CC(=O)NC)C1 ZINC001373593020 887751353 /nfs/dbraw/zinc/75/13/53/887751353.db2.gz SQGMJCZRQMYZDT-UWVGGRQHSA-N 1 2 284.360 -1.162 20 0 CAADLO CS(=O)(=O)CC(=O)NC[C@@H](O)C[NH2+]Cc1cnon1 ZINC001374585011 887799234 /nfs/dbraw/zinc/79/92/34/887799234.db2.gz QIPICQQKJGNTFE-QMMMGPOBSA-N 1 2 292.317 -2.319 20 0 CAADLO O=C(NC[C@H](O)C[NH2+]Cc1cnns1)c1ncn[nH]1 ZINC001374655916 887822556 /nfs/dbraw/zinc/82/25/56/887822556.db2.gz FKFUEPHOFCOEGK-ZCFIWIBFSA-N 1 2 283.317 -1.463 20 0 CAADLO O=C(NC[C@H](O)C[NH2+]Cc1cnns1)c1nc[nH]n1 ZINC001374655916 887822563 /nfs/dbraw/zinc/82/25/63/887822563.db2.gz FKFUEPHOFCOEGK-ZCFIWIBFSA-N 1 2 283.317 -1.463 20 0 CAADLO O=C(NC[C@@H](O)C[NH2+]Cc1cnns1)c1nc[nH]n1 ZINC001374655874 887822866 /nfs/dbraw/zinc/82/28/66/887822866.db2.gz FKFUEPHOFCOEGK-LURJTMIESA-N 1 2 283.317 -1.463 20 0 CAADLO CNC(=O)CCCC(=O)NC[C@H]1CC[N@H+]1[C@@H](C)C(N)=O ZINC001375309110 887869278 /nfs/dbraw/zinc/86/92/78/887869278.db2.gz KJJUSDQBZOBWRK-VHSXEESVSA-N 1 2 284.360 -1.033 20 0 CAADLO C[C@@H](F)CC[NH+]1CC(O)(CNC(=O)[C@H](C)NC(N)=O)C1 ZINC001376163159 887912302 /nfs/dbraw/zinc/91/23/02/887912302.db2.gz HAMIPSFBYCJGNJ-BDAKNGLRSA-N 1 2 290.339 -1.046 20 0 CAADLO CC[C@H](C[NH+]1CC(O)(CNC(=O)CNC(C)=O)C1)OC ZINC001376119749 887906448 /nfs/dbraw/zinc/90/64/48/887906448.db2.gz GXHNOBIKIRMFMJ-LLVKDONJSA-N 1 2 287.360 -1.290 20 0 CAADLO CNC(=O)C[N@@H+]1CCC[C@@](CO)(NC(=O)COC)C1 ZINC001376446415 887926485 /nfs/dbraw/zinc/92/64/85/887926485.db2.gz YICOQQJHWVMLHD-GFCCVEGCSA-N 1 2 273.333 -1.678 20 0 CAADLO CNC(=O)C[N@H+]1CCC[C@@](CO)(NC(=O)COC)C1 ZINC001376446415 887926499 /nfs/dbraw/zinc/92/64/99/887926499.db2.gz YICOQQJHWVMLHD-GFCCVEGCSA-N 1 2 273.333 -1.678 20 0 CAADLO C[C@H](O)CN1CC(O)(CNC(=O)CCn2cc[nH+]c2)C1 ZINC001376222976 887915993 /nfs/dbraw/zinc/91/59/93/887915993.db2.gz MBGMUOPSKXCEEE-NSHDSACASA-N 1 2 282.344 -1.183 20 0 CAADLO C[N@H+](CCNC(=O)[C@H]1CCC(=O)N1)CC(=O)N1CCC1 ZINC001377136789 887976195 /nfs/dbraw/zinc/97/61/95/887976195.db2.gz MKTDVMUXVWJPLK-SNVBAGLBSA-N 1 2 282.344 -1.455 20 0 CAADLO C[N@@H+](CCNC(=O)[C@H]1CCC(=O)N1)CC(=O)N1CCC1 ZINC001377136789 887976202 /nfs/dbraw/zinc/97/62/02/887976202.db2.gz MKTDVMUXVWJPLK-SNVBAGLBSA-N 1 2 282.344 -1.455 20 0 CAADLO CCCNC(=O)C[N@@H+](C)CCNC(=O)[C@H]1COCCO1 ZINC001377124961 887976853 /nfs/dbraw/zinc/97/68/53/887976853.db2.gz AYJKWSREOFGJGC-LLVKDONJSA-N 1 2 287.360 -1.024 20 0 CAADLO CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@H](C)NC(N)=O)C1 ZINC001378105424 888034942 /nfs/dbraw/zinc/03/49/42/888034942.db2.gz FQTMWZKAFFNTDE-DTWKUNHWSA-N 1 2 285.348 -1.630 20 0 CAADLO CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@H](C)NC(N)=O)C1 ZINC001378105424 888034951 /nfs/dbraw/zinc/03/49/51/888034951.db2.gz FQTMWZKAFFNTDE-DTWKUNHWSA-N 1 2 285.348 -1.630 20 0 CAADLO C[N@H+](CCNC(=O)[C@]1(C)CCNC(=O)C1)CC(N)=O ZINC001377181278 887982718 /nfs/dbraw/zinc/98/27/18/887982718.db2.gz IXBKIKMMQUIAHT-GFCCVEGCSA-N 1 2 270.333 -1.564 20 0 CAADLO C[N@@H+](CCNC(=O)[C@]1(C)CCNC(=O)C1)CC(N)=O ZINC001377181278 887982729 /nfs/dbraw/zinc/98/27/29/887982729.db2.gz IXBKIKMMQUIAHT-GFCCVEGCSA-N 1 2 270.333 -1.564 20 0 CAADLO CCNC(=O)CCC(=O)NCC1C[NH+](CC(=O)NC)C1 ZINC001377959163 888026554 /nfs/dbraw/zinc/02/65/54/888026554.db2.gz GJRKIAWRVMVPTI-UHFFFAOYSA-N 1 2 284.360 -1.303 20 0 CAADLO Cn1nnnc1C[NH2+][C@H](CO)CNC(=O)CCCF ZINC001379462920 888145737 /nfs/dbraw/zinc/14/57/37/888145737.db2.gz KGFPCYGEKJQIHL-QMMMGPOBSA-N 1 2 274.300 -1.474 20 0 CAADLO CC(C)C(=O)NC[C@@H](CO)[NH2+][C@@H](C)c1nnnn1C ZINC001379350499 888123850 /nfs/dbraw/zinc/12/38/50/888123850.db2.gz NTBGHBCAVYMAEE-IUCAKERBSA-N 1 2 270.337 -1.006 20 0 CAADLO COCCC(=O)NC[C@@H]1CC[N@@H+]1[C@@H](C)C(=O)NC(N)=O ZINC001379935822 888182051 /nfs/dbraw/zinc/18/20/51/888182051.db2.gz IFAIYONENVBHNJ-IUCAKERBSA-N 1 2 286.332 -1.203 20 0 CAADLO COCCC(=O)NC[C@@H]1CC[N@H+]1[C@@H](C)C(=O)NC(N)=O ZINC001379935822 888182055 /nfs/dbraw/zinc/18/20/55/888182055.db2.gz IFAIYONENVBHNJ-IUCAKERBSA-N 1 2 286.332 -1.203 20 0 CAADLO CC(=O)N(C)CC(=O)NC[C@@H]1CC[N@H+]1[C@@H]1CCNC1=O ZINC001379946547 888183612 /nfs/dbraw/zinc/18/36/12/888183612.db2.gz AJWUYPRBAHDQPA-WDEREUQCSA-N 1 2 282.344 -1.456 20 0 CAADLO C[C@H]1CO[C@@H](C(=O)NCC2(O)C[NH+](CCCO)C2)C1 ZINC001380607096 888219658 /nfs/dbraw/zinc/21/96/58/888219658.db2.gz OOPHXOWJDOHBII-GHMZBOCLSA-N 1 2 272.345 -1.043 20 0 CAADLO CO[C@@H](C)C[NH+]1CC(O)(CNC(=O)CCNC(N)=O)C1 ZINC001380650607 888225157 /nfs/dbraw/zinc/22/51/57/888225157.db2.gz URNFWZICRUTHBU-VIFPVBQESA-N 1 2 288.348 -1.757 20 0 CAADLO CC(=O)NCC(=O)NC[C@H](CO)[NH2+]Cc1cscn1 ZINC001382170541 888278902 /nfs/dbraw/zinc/27/89/02/888278902.db2.gz HRPDTHFHGKKEDA-SECBINFHSA-N 1 2 286.357 -1.154 20 0 CAADLO C[C@H](CC(=O)N[C@H](C)C1C[NH+](CC(N)=O)C1)NC(N)=O ZINC001381777998 888266791 /nfs/dbraw/zinc/26/67/91/888266791.db2.gz NGXKOCFURTWTEI-HTQZYQBOSA-N 1 2 285.348 -1.645 20 0 CAADLO COCC(=O)NC[C@H](O)CN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001384258181 888425530 /nfs/dbraw/zinc/42/55/30/888425530.db2.gz TVSLQYTXVQZNSC-VIFPVBQESA-N 1 2 284.316 -1.466 20 0 CAADLO CC(=O)NCC[N@@H+](C)CC(=O)N1CCC(C(N)=O)CC1 ZINC001390723079 888594637 /nfs/dbraw/zinc/59/46/37/888594637.db2.gz VQSHRYLWRHRBQV-UHFFFAOYSA-N 1 2 284.360 -1.222 20 0 CAADLO CC(=O)NCC[N@H+](C)CC(=O)N1CCC(C(N)=O)CC1 ZINC001390723079 888594644 /nfs/dbraw/zinc/59/46/44/888594644.db2.gz VQSHRYLWRHRBQV-UHFFFAOYSA-N 1 2 284.360 -1.222 20 0 CAADLO C[N@@H+](CCNC(=O)CNC(=O)N1CCCC1)CC(N)=O ZINC001390758675 888598362 /nfs/dbraw/zinc/59/83/62/888598362.db2.gz QOZOZADXSPGSKR-UHFFFAOYSA-N 1 2 285.348 -1.675 20 0 CAADLO CC(=O)NCC(=O)NCC[N@@H+](C)CC(=O)N1CCC1 ZINC001390730557 888598199 /nfs/dbraw/zinc/59/81/99/888598199.db2.gz BGHJOYBVLQCRKN-UHFFFAOYSA-N 1 2 270.333 -1.597 20 0 CAADLO CC(=O)NCC(=O)NCC[N@H+](C)CC(=O)N1CCC1 ZINC001390730557 888598205 /nfs/dbraw/zinc/59/82/05/888598205.db2.gz BGHJOYBVLQCRKN-UHFFFAOYSA-N 1 2 270.333 -1.597 20 0 CAADLO COCC(=O)N(C)[C@H]1CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001391601965 888638721 /nfs/dbraw/zinc/63/87/21/888638721.db2.gz WGSHMARJWLRWHP-QMMMGPOBSA-N 1 2 272.305 -1.640 20 0 CAADLO COCC(=O)N(C)[C@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001391601965 888638724 /nfs/dbraw/zinc/63/87/24/888638724.db2.gz WGSHMARJWLRWHP-QMMMGPOBSA-N 1 2 272.305 -1.640 20 0 CAADLO CCNC(=O)C[N@H+](C)CCN(C)C(=O)Cn1cncn1 ZINC001392326481 888672006 /nfs/dbraw/zinc/67/20/06/888672006.db2.gz URPGKKYHPDIVOT-UHFFFAOYSA-N 1 2 282.348 -1.196 20 0 CAADLO CCNC(=O)C[N@@H+](C)CCN(C)C(=O)Cn1cncn1 ZINC001392326481 888672017 /nfs/dbraw/zinc/67/20/17/888672017.db2.gz URPGKKYHPDIVOT-UHFFFAOYSA-N 1 2 282.348 -1.196 20 0 CAADLO NC(=O)C[NH2+]C[C@@H](O)CNC(=O)C(F)C(F)(F)F ZINC001392375300 888686903 /nfs/dbraw/zinc/68/69/03/888686903.db2.gz IGTIZVBDBSKFFV-INEUFUBQSA-N 1 2 275.202 -1.561 20 0 CAADLO NC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@@H](F)C(F)(F)F ZINC001392375300 888686917 /nfs/dbraw/zinc/68/69/17/888686917.db2.gz IGTIZVBDBSKFFV-INEUFUBQSA-N 1 2 275.202 -1.561 20 0 CAADLO COC[C@H](OC)C(=O)N[C@@]1(C)CC[N@@H+](CC(N)=O)C1 ZINC001393121213 888759907 /nfs/dbraw/zinc/75/99/07/888759907.db2.gz YORPADLMPIWFST-CABZTGNLSA-N 1 2 273.333 -1.286 20 0 CAADLO CCC(=O)NCC(=O)NCC1(O)C[NH+]([C@@H](C)COC)C1 ZINC001393300313 888775894 /nfs/dbraw/zinc/77/58/94/888775894.db2.gz FQSYSIFVWXXZKE-JTQLQIEISA-N 1 2 287.360 -1.290 20 0 CAADLO COC[C@H](C)[NH+]1CC(O)(CNC(=O)c2cnnn2C)C1 ZINC001393309486 888775925 /nfs/dbraw/zinc/77/59/25/888775925.db2.gz SLNIQUIEUPNXDX-VIFPVBQESA-N 1 2 283.332 -1.374 20 0 CAADLO CCC[C@H](C(=O)NCC1(O)C[NH+](CC)C1)S(N)(=O)=O ZINC001393322357 888777777 /nfs/dbraw/zinc/77/77/77/888777777.db2.gz BZUQAXAYFSBFEV-SECBINFHSA-N 1 2 293.389 -1.374 20 0 CAADLO C[C@H](O)C[NH+]1CC(O)(CNC(=O)c2nnn(C)n2)C1 ZINC001393331558 888777894 /nfs/dbraw/zinc/77/78/94/888777894.db2.gz GDPQDIIIRSGAGZ-ZETCQYMHSA-N 1 2 270.293 -2.633 20 0 CAADLO C[C@H](NC(=O)CCS(C)(=O)=O)C1C[NH+](CCO)C1 ZINC001394248919 888826102 /nfs/dbraw/zinc/82/61/02/888826102.db2.gz VQIHRAVEVYDSHY-VIFPVBQESA-N 1 2 278.374 -1.150 20 0 CAADLO CCO[C@@H](C)C(=O)NC[C@H](CO)[NH2+]Cc1ncnn1C ZINC001394573157 888839446 /nfs/dbraw/zinc/83/94/46/888839446.db2.gz MGCRUOCWWUZLDY-VHSXEESVSA-N 1 2 285.348 -1.193 20 0 CAADLO COCC[N@H+](CCNC(=O)c1cnccn1)CC(N)=O ZINC001394832884 888898008 /nfs/dbraw/zinc/89/80/08/888898008.db2.gz PYZILKXNGNWFLT-UHFFFAOYSA-N 1 2 281.316 -1.360 20 0 CAADLO COCC[N@@H+](CCNC(=O)c1cnccn1)CC(N)=O ZINC001394832884 888898022 /nfs/dbraw/zinc/89/80/22/888898022.db2.gz PYZILKXNGNWFLT-UHFFFAOYSA-N 1 2 281.316 -1.360 20 0 CAADLO CO[C@@H](C)C(=O)NC[C@@H](CO)NC(=O)Cc1[nH]cc[nH+]1 ZINC001395700615 888920617 /nfs/dbraw/zinc/92/06/17/888920617.db2.gz VFLDRROKTLKAGN-IUCAKERBSA-N 1 2 284.316 -1.420 20 0 CAADLO CN(CC(=O)N[C@H]1CC[N@H+](CC(N)=O)C1)C(=O)C1CC1 ZINC001398287099 888991504 /nfs/dbraw/zinc/99/15/04/888991504.db2.gz HHMQPVTYGJGTDF-JTQLQIEISA-N 1 2 282.344 -1.469 20 0 CAADLO CN(CC(=O)N[C@H]1CC[N@@H+](CC(N)=O)C1)C(=O)C1CC1 ZINC001398287099 888991517 /nfs/dbraw/zinc/99/15/17/888991517.db2.gz HHMQPVTYGJGTDF-JTQLQIEISA-N 1 2 282.344 -1.469 20 0 CAADLO C[C@H](CC(=O)N[C@@H]1CCC[N@H+](CC(N)=O)C1)NC(N)=O ZINC001398226786 888991771 /nfs/dbraw/zinc/99/17/71/888991771.db2.gz KMFQLFRJZCQCRQ-RKDXNWHRSA-N 1 2 285.348 -1.501 20 0 CAADLO C[C@H](CC(=O)N[C@@H]1CCC[N@@H+](CC(N)=O)C1)NC(N)=O ZINC001398226786 888991772 /nfs/dbraw/zinc/99/17/72/888991772.db2.gz KMFQLFRJZCQCRQ-RKDXNWHRSA-N 1 2 285.348 -1.501 20 0 CAADLO CN(C)C(=O)C[N@@H+](C)CCNC(=O)CNC(=O)C1CC1 ZINC001399430250 889044383 /nfs/dbraw/zinc/04/43/83/889044383.db2.gz ACWLANXRAAVZRV-UHFFFAOYSA-N 1 2 284.360 -1.351 20 0 CAADLO CCNC(=O)C[N@H+](C)CCNC(=O)C[C@H]1CCC(=O)N1 ZINC001399607946 889055764 /nfs/dbraw/zinc/05/57/64/889055764.db2.gz XHVRPUWDKFKBKF-SNVBAGLBSA-N 1 2 284.360 -1.161 20 0 CAADLO CCNC(=O)C[N@@H+](C)CCNC(=O)C[C@H]1CCC(=O)N1 ZINC001399607946 889055779 /nfs/dbraw/zinc/05/57/79/889055779.db2.gz XHVRPUWDKFKBKF-SNVBAGLBSA-N 1 2 284.360 -1.161 20 0 CAADLO COC[C@H](O)C[NH+]1CC(NC(=O)[C@H]2CC(=O)N(C)C2)C1 ZINC001400348048 889102664 /nfs/dbraw/zinc/10/26/64/889102664.db2.gz GCNWIYGRLCPKEU-GXSJLCMTSA-N 1 2 285.344 -1.728 20 0 CAADLO CC(C)OCC[NH+]1CC(NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001400389575 889105401 /nfs/dbraw/zinc/10/54/01/889105401.db2.gz DLXXDFJEPWIKJS-SNVBAGLBSA-N 1 2 270.333 -1.107 20 0 CAADLO CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2COCCO2)C1 ZINC001400641573 889114778 /nfs/dbraw/zinc/11/47/78/889114778.db2.gz ZGHOGHUNPKNYBX-MNOVXSKESA-N 1 2 285.344 -1.272 20 0 CAADLO CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2COCCO2)C1 ZINC001400641573 889114782 /nfs/dbraw/zinc/11/47/82/889114782.db2.gz ZGHOGHUNPKNYBX-MNOVXSKESA-N 1 2 285.344 -1.272 20 0 CAADLO CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H]2COCCO2)C1 ZINC001400593340 889115281 /nfs/dbraw/zinc/11/52/81/889115281.db2.gz ZGHOGHUNPKNYBX-WDEREUQCSA-N 1 2 285.344 -1.272 20 0 CAADLO CCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@H]2COCCO2)C1 ZINC001400593340 889115287 /nfs/dbraw/zinc/11/52/87/889115287.db2.gz ZGHOGHUNPKNYBX-WDEREUQCSA-N 1 2 285.344 -1.272 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H](C)CC(N)=O)C1 ZINC001400628615 889115943 /nfs/dbraw/zinc/11/59/43/889115943.db2.gz DVFYPJFXFLAABS-IUCAKERBSA-N 1 2 270.333 -1.566 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H](C)CC(N)=O)C1 ZINC001400628615 889115955 /nfs/dbraw/zinc/11/59/55/889115955.db2.gz DVFYPJFXFLAABS-IUCAKERBSA-N 1 2 270.333 -1.566 20 0 CAADLO CCNC(=O)C[N@@H+](C)CCN(C)C(=O)[C@H]1COC(=O)N1 ZINC001401371229 889134944 /nfs/dbraw/zinc/13/49/44/889134944.db2.gz ZOCQYOVATAYQQO-SECBINFHSA-N 1 2 286.332 -1.379 20 0 CAADLO COCCC(=O)NC[C@@H](O)C[NH2+]Cc1nc(C)no1 ZINC001401603535 889168432 /nfs/dbraw/zinc/16/84/32/889168432.db2.gz IFWUKYJGMWBEEU-VIFPVBQESA-N 1 2 272.305 -1.019 20 0 CAADLO CC(=O)NCC(=O)NC[C@H]1CC[N@@H+]1[C@H]1CCN(C)C1=O ZINC001401869555 889190567 /nfs/dbraw/zinc/19/05/67/889190567.db2.gz PMRDOKLTFNVDSD-MNOVXSKESA-N 1 2 282.344 -1.456 20 0 CAADLO COC[C@H](C)[NH+]1CC(O)(CNC(=O)CNC(=O)OC)C1 ZINC001402308279 889219983 /nfs/dbraw/zinc/21/99/83/889219983.db2.gz LDZZNGBDXFYKJA-VIFPVBQESA-N 1 2 289.332 -1.460 20 0 CAADLO CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001402225471 889205506 /nfs/dbraw/zinc/20/55/06/889205506.db2.gz AQHFYHNXIQVHHP-ZJUUUORDSA-N 1 2 282.344 -1.408 20 0 CAADLO CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001402225471 889205521 /nfs/dbraw/zinc/20/55/21/889205521.db2.gz AQHFYHNXIQVHHP-ZJUUUORDSA-N 1 2 282.344 -1.408 20 0 CAADLO CC[N@@H+]1CCOC[C@@H]1CNC(=O)CCCS(N)(=O)=O ZINC001402522579 889244265 /nfs/dbraw/zinc/24/42/65/889244265.db2.gz WMOCPKBIRIZEKO-JTQLQIEISA-N 1 2 293.389 -1.108 20 0 CAADLO CC[N@H+]1CCOC[C@@H]1CNC(=O)CCCS(N)(=O)=O ZINC001402522579 889244280 /nfs/dbraw/zinc/24/42/80/889244280.db2.gz WMOCPKBIRIZEKO-JTQLQIEISA-N 1 2 293.389 -1.108 20 0 CAADLO CN(C)C(=O)C[N@H+](C)CCNC(=O)[C@@H]1CC(=O)N(C)C1 ZINC001403564915 889317483 /nfs/dbraw/zinc/31/74/83/889317483.db2.gz LEXPOBFWNMZOPY-SNVBAGLBSA-N 1 2 284.360 -1.399 20 0 CAADLO CN(C)C(=O)C[N@@H+](C)CCNC(=O)[C@@H]1CC(=O)N(C)C1 ZINC001403564915 889317495 /nfs/dbraw/zinc/31/74/95/889317495.db2.gz LEXPOBFWNMZOPY-SNVBAGLBSA-N 1 2 284.360 -1.399 20 0 CAADLO CCCNC(=O)C[N@H+](C)CCNC(=O)Cn1ncnn1 ZINC001403567767 889317551 /nfs/dbraw/zinc/31/75/51/889317551.db2.gz JJPKMIBWNATBNQ-UHFFFAOYSA-N 1 2 283.336 -1.753 20 0 CAADLO CCCNC(=O)C[N@@H+](C)CCNC(=O)Cn1ncnn1 ZINC001403567767 889317569 /nfs/dbraw/zinc/31/75/69/889317569.db2.gz JJPKMIBWNATBNQ-UHFFFAOYSA-N 1 2 283.336 -1.753 20 0 CAADLO CN(C)C(=O)C[N@H+](C)CCNC(=O)[C@H]1CC(=O)N(C)C1 ZINC001403564909 889317928 /nfs/dbraw/zinc/31/79/28/889317928.db2.gz LEXPOBFWNMZOPY-JTQLQIEISA-N 1 2 284.360 -1.399 20 0 CAADLO CN(C)C(=O)C[N@@H+](C)CCNC(=O)[C@H]1CC(=O)N(C)C1 ZINC001403564909 889317939 /nfs/dbraw/zinc/31/79/39/889317939.db2.gz LEXPOBFWNMZOPY-JTQLQIEISA-N 1 2 284.360 -1.399 20 0 CAADLO COC[C@H](C)C(=O)NC[C@H](CO)[NH2+]Cc1nnnn1C ZINC001403670273 889341482 /nfs/dbraw/zinc/34/14/82/889341482.db2.gz DLJJEZOHANZWIG-DTWKUNHWSA-N 1 2 286.336 -1.941 20 0 CAADLO C[N@H+](CCNC(=O)C(C)(C)N1CCOCC1)CC(N)=O ZINC001403718755 889356454 /nfs/dbraw/zinc/35/64/54/889356454.db2.gz NETKUYPKLFOAOS-UHFFFAOYSA-N 1 2 286.376 -1.370 20 0 CAADLO C[N@@H+](CCNC(=O)C(C)(C)N1CCOCC1)CC(N)=O ZINC001403718755 889356465 /nfs/dbraw/zinc/35/64/65/889356465.db2.gz NETKUYPKLFOAOS-UHFFFAOYSA-N 1 2 286.376 -1.370 20 0 CAADLO C[N@H+](CCNC(=O)CC[C@@]1(C)CCC(=O)N1)CC(N)=O ZINC001403804286 889367645 /nfs/dbraw/zinc/36/76/45/889367645.db2.gz XLYXNKKDOMWIJS-ZDUSSCGKSA-N 1 2 284.360 -1.031 20 0 CAADLO C[N@@H+](CCNC(=O)CC[C@@]1(C)CCC(=O)N1)CC(N)=O ZINC001403804286 889367657 /nfs/dbraw/zinc/36/76/57/889367657.db2.gz XLYXNKKDOMWIJS-ZDUSSCGKSA-N 1 2 284.360 -1.031 20 0 CAADLO COCC[N@H+](CCNC(=O)c1ccnnc1)CC(N)=O ZINC001403978088 889388271 /nfs/dbraw/zinc/38/82/71/889388271.db2.gz YBFCMAFMPWTKMI-UHFFFAOYSA-N 1 2 281.316 -1.360 20 0 CAADLO COCC[N@@H+](CCNC(=O)c1ccnnc1)CC(N)=O ZINC001403978088 889388280 /nfs/dbraw/zinc/38/82/80/889388280.db2.gz YBFCMAFMPWTKMI-UHFFFAOYSA-N 1 2 281.316 -1.360 20 0 CAADLO C[C@@H](NS(C)(=O)=O)C(=O)NCC1C[NH+](CCF)C1 ZINC001404887482 889420494 /nfs/dbraw/zinc/42/04/94/889420494.db2.gz ATNLHYQTUQFLKF-MRVPVSSYSA-N 1 2 281.353 -1.058 20 0 CAADLO C[C@H](C(=O)NCC1C[NH+](C[C@H](C)O)C1)S(C)(=O)=O ZINC001404885845 889422259 /nfs/dbraw/zinc/42/22/59/889422259.db2.gz CQFQTTFBVDRYCU-DTWKUNHWSA-N 1 2 278.374 -1.152 20 0 CAADLO CCC(=O)NCC(=O)N(CC)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001405176079 889429525 /nfs/dbraw/zinc/42/95/25/889429525.db2.gz LWTIFZGRBAXREL-SNVBAGLBSA-N 1 2 284.360 -1.079 20 0 CAADLO CCC(=O)NCC(=O)N(CC)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001405176079 889429532 /nfs/dbraw/zinc/42/95/32/889429532.db2.gz LWTIFZGRBAXREL-SNVBAGLBSA-N 1 2 284.360 -1.079 20 0 CAADLO CN(CC[N@H+](C)CC(N)=O)C(=O)[C@@]1(C)CCC(=O)NC1 ZINC001406115823 889473251 /nfs/dbraw/zinc/47/32/51/889473251.db2.gz LSHWRLPFMBBURF-ZDUSSCGKSA-N 1 2 284.360 -1.222 20 0 CAADLO CN(CC[N@@H+](C)CC(N)=O)C(=O)[C@@]1(C)CCC(=O)NC1 ZINC001406115823 889473256 /nfs/dbraw/zinc/47/32/56/889473256.db2.gz LSHWRLPFMBBURF-ZDUSSCGKSA-N 1 2 284.360 -1.222 20 0 CAADLO C[C@H](C[NH2+]Cc1cnon1)NC(=O)CS(C)(=O)=O ZINC001406336494 889510763 /nfs/dbraw/zinc/51/07/63/889510763.db2.gz GVKZIXXRXIAUJX-SSDOTTSWSA-N 1 2 276.318 -1.292 20 0 CAADLO COC[C@@H](OC)C(=O)NCC1(O)C[NH+](C[C@@H](C)OC)C1 ZINC001407431782 889576238 /nfs/dbraw/zinc/57/62/38/889576238.db2.gz XHGQMEPNPMCASL-GHMZBOCLSA-N 1 2 290.360 -1.154 20 0 CAADLO COCC[NH+]1CC(O)(CNC(=O)c2c[nH]c(=O)n2C)C1 ZINC001407439962 889577115 /nfs/dbraw/zinc/57/71/15/889577115.db2.gz VPVDGVJYQZAAFF-UHFFFAOYSA-N 1 2 284.316 -1.451 20 0 CAADLO CCC(=O)N[C@@]1(CO)CCC[N@H+](CC(=O)NC(N)=O)C1 ZINC001407590327 889582377 /nfs/dbraw/zinc/58/23/77/889582377.db2.gz XJUSEJDFWUQMBJ-LBPRGKRZSA-N 1 2 286.332 -1.466 20 0 CAADLO CCC(=O)N[C@@]1(CO)CCC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001407590327 889582384 /nfs/dbraw/zinc/58/23/84/889582384.db2.gz XJUSEJDFWUQMBJ-LBPRGKRZSA-N 1 2 286.332 -1.466 20 0 CAADLO O=C(CCn1cc[nH+]c1)NC1(CCO)CN(CCO)C1 ZINC001409733772 889644649 /nfs/dbraw/zinc/64/46/49/889644649.db2.gz MDXOMDKVKZQEOZ-UHFFFAOYSA-N 1 2 282.344 -1.182 20 0 CAADLO C[C@@H](O)C[NH+]1CC(CCO)(NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001409744931 889646562 /nfs/dbraw/zinc/64/65/62/889646562.db2.gz JRQWYDIJOIAXAT-RKDXNWHRSA-N 1 2 286.332 -2.398 20 0 CAADLO CNC(=O)C[NH+]1CC([C@H](C)NC(=O)[C@H](COC)OC)C1 ZINC001409941505 889649731 /nfs/dbraw/zinc/64/97/31/889649731.db2.gz MVTPXZFIDORHGB-ONGXEEELSA-N 1 2 287.360 -1.170 20 0 CAADLO Cn1cc(C[NH2+][C@@H](CO)CNC(=O)[C@H]2CCOC2)nn1 ZINC001410585259 889686714 /nfs/dbraw/zinc/68/67/14/889686714.db2.gz NJBDIRIDRDBETL-GXSJLCMTSA-N 1 2 283.332 -1.582 20 0 CAADLO CNC(=O)[C@H](C)[NH2+][C@H](CO)CNC(=O)Cc1nnc[nH]1 ZINC001410756999 889710121 /nfs/dbraw/zinc/71/01/21/889710121.db2.gz APZYYNRDOYMVLT-YUMQZZPRSA-N 1 2 284.320 -2.452 20 0 CAADLO COCC[N@H+](CCNC(=O)[C@@H]1CO[C@H](C)C1)CC(N)=O ZINC001411226502 889745685 /nfs/dbraw/zinc/74/56/85/889745685.db2.gz JOWZDNJSSXDYCY-MNOVXSKESA-N 1 2 287.360 -1.039 20 0 CAADLO COCC[N@@H+](CCNC(=O)[C@@H]1CO[C@H](C)C1)CC(N)=O ZINC001411226502 889745696 /nfs/dbraw/zinc/74/56/96/889745696.db2.gz JOWZDNJSSXDYCY-MNOVXSKESA-N 1 2 287.360 -1.039 20 0 CAADLO C[C@H](NC(=O)[C@@H](CO)NC(N)=O)[C@H]1CN(C)CC[N@@H+]1C ZINC001411819492 889768699 /nfs/dbraw/zinc/76/86/99/889768699.db2.gz ZBKVUQOGACSYCO-IVZWLZJFSA-N 1 2 287.364 -2.234 20 0 CAADLO C[C@H](NC(=O)[C@@H](CO)NC(N)=O)[C@H]1CN(C)CC[N@H+]1C ZINC001411819492 889768704 /nfs/dbraw/zinc/76/87/04/889768704.db2.gz ZBKVUQOGACSYCO-IVZWLZJFSA-N 1 2 287.364 -2.234 20 0 CAADLO NS(=O)(=O)NC1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001412449539 889832268 /nfs/dbraw/zinc/83/22/68/889832268.db2.gz YDQIMMMQZFEBRW-UHFFFAOYSA-N 1 2 287.345 -1.264 20 0 CAADLO CNC(=O)C[N@@H+]1CCCN(C(=O)[C@]2(O)CCOC2)CC1 ZINC001412661405 889863989 /nfs/dbraw/zinc/86/39/89/889863989.db2.gz GIOZQZNBNIHQNZ-ZDUSSCGKSA-N 1 2 285.344 -1.582 20 0 CAADLO CNC(=O)C[N@H+]1CCCN(C(=O)[C@]2(O)CCOC2)CC1 ZINC001412661405 889863997 /nfs/dbraw/zinc/86/39/97/889863997.db2.gz GIOZQZNBNIHQNZ-ZDUSSCGKSA-N 1 2 285.344 -1.582 20 0 CAADLO COC(=O)Cn1cc(C[N@@H+]2C[C@@H](O)C[C@]2(C)CO)nn1 ZINC001413238063 889950597 /nfs/dbraw/zinc/95/05/97/889950597.db2.gz QRATZJDKAVKMRU-CMPLNLGQSA-N 1 2 284.316 -1.231 20 0 CAADLO COC(=O)Cn1cc(C[N@H+]2C[C@@H](O)C[C@]2(C)CO)nn1 ZINC001413238063 889950612 /nfs/dbraw/zinc/95/06/12/889950612.db2.gz QRATZJDKAVKMRU-CMPLNLGQSA-N 1 2 284.316 -1.231 20 0 CAADLO O=C(NCC[N@H+]1CC[C@H](O)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001413377161 889977698 /nfs/dbraw/zinc/97/76/98/889977698.db2.gz OJQURZJDOQLFIL-ZJUUUORDSA-N 1 2 276.358 -1.396 20 0 CAADLO O=C(NCC[N@@H+]1CC[C@H](O)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001413377161 889977713 /nfs/dbraw/zinc/97/77/13/889977713.db2.gz OJQURZJDOQLFIL-ZJUUUORDSA-N 1 2 276.358 -1.396 20 0 CAADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NS(=O)(=O)N1CCC1 ZINC001413433693 889985756 /nfs/dbraw/zinc/98/57/56/889985756.db2.gz CFDBUUODGODWJF-VIFPVBQESA-N 1 2 287.345 -1.393 20 0 CAADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NS(=O)(=O)N1CCC1 ZINC001413433693 889985775 /nfs/dbraw/zinc/98/57/75/889985775.db2.gz CFDBUUODGODWJF-VIFPVBQESA-N 1 2 287.345 -1.393 20 0 CAADLO COC[C@H]1C[C@@H](O)CN1S(=O)(=O)N1CC[NH+](C)CC1 ZINC001414301108 890052747 /nfs/dbraw/zinc/05/27/47/890052747.db2.gz KXFUHOAVSMMEBK-GHMZBOCLSA-N 1 2 293.389 -1.440 20 0 CAADLO CCCNS(=O)(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC ZINC001414338509 890059253 /nfs/dbraw/zinc/05/92/53/890059253.db2.gz GEHZOMRAFRYYGT-VIFPVBQESA-N 1 2 289.361 -1.099 20 0 CAADLO CCCNS(=O)(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC ZINC001414338509 890059276 /nfs/dbraw/zinc/05/92/76/890059276.db2.gz GEHZOMRAFRYYGT-VIFPVBQESA-N 1 2 289.361 -1.099 20 0 CAADLO Cc1[nH+]c[nH]c1CC(=O)NC[C@]1(O)CCS(=O)(=O)C1 ZINC001417868331 890173510 /nfs/dbraw/zinc/17/35/10/890173510.db2.gz FQCWKZHNULRTLN-LLVKDONJSA-N 1 2 287.341 -1.074 20 0 CAADLO CCOCC(=O)NCC[N@H+](C)CC(=O)N1CCOCC1 ZINC001418442186 890218974 /nfs/dbraw/zinc/21/89/74/890218974.db2.gz PSCQBZFAZSUZLX-UHFFFAOYSA-N 1 2 287.360 -1.070 20 0 CAADLO CCOCC(=O)NCC[N@@H+](C)CC(=O)N1CCOCC1 ZINC001418442186 890218985 /nfs/dbraw/zinc/21/89/85/890218985.db2.gz PSCQBZFAZSUZLX-UHFFFAOYSA-N 1 2 287.360 -1.070 20 0 CAADLO COC(=O)NCC(=O)NCC[N@H+](C)CC(=O)N1CCC1 ZINC001418447773 890220046 /nfs/dbraw/zinc/22/00/46/890220046.db2.gz VBLIACGIRUOXFH-UHFFFAOYSA-N 1 2 286.332 -1.377 20 0 CAADLO COC(=O)NCC(=O)NCC[N@@H+](C)CC(=O)N1CCC1 ZINC001418447773 890220053 /nfs/dbraw/zinc/22/00/53/890220053.db2.gz VBLIACGIRUOXFH-UHFFFAOYSA-N 1 2 286.332 -1.377 20 0 CAADLO CCNC(=O)C[N@H+](C)CCNC(=O)CCNC(N)=O ZINC001418521327 890233402 /nfs/dbraw/zinc/23/34/02/890233402.db2.gz WNXUILVLIQQVJT-UHFFFAOYSA-N 1 2 273.337 -1.771 20 0 CAADLO CCNC(=O)C[N@@H+](C)CCNC(=O)CCNC(N)=O ZINC001418521327 890233419 /nfs/dbraw/zinc/23/34/19/890233419.db2.gz WNXUILVLIQQVJT-UHFFFAOYSA-N 1 2 273.337 -1.771 20 0 CAADLO CCC(=O)N[C@H](C)C(=O)N[C@H]1CCC[N@H+](CC(N)=O)C1 ZINC001418959201 890275095 /nfs/dbraw/zinc/27/50/95/890275095.db2.gz LZLAYAIEWAWDLX-ZJUUUORDSA-N 1 2 284.360 -1.033 20 0 CAADLO CCC(=O)N[C@H](C)C(=O)N[C@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001418959201 890275113 /nfs/dbraw/zinc/27/51/13/890275113.db2.gz LZLAYAIEWAWDLX-ZJUUUORDSA-N 1 2 284.360 -1.033 20 0 CAADLO CC(=O)NC(C)(C)C(=O)NCC1C[NH+]([C@@H](C)C(N)=O)C1 ZINC001419036171 890291893 /nfs/dbraw/zinc/29/18/93/890291893.db2.gz JDWCBEFOVAMDIK-QMMMGPOBSA-N 1 2 284.360 -1.177 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)CCN2CCCC2=O)C1 ZINC001419066356 890293582 /nfs/dbraw/zinc/29/35/82/890293582.db2.gz FKKRDQMHDYQJTR-JTQLQIEISA-N 1 2 282.344 -1.325 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)CCN2CCCC2=O)C1 ZINC001419066356 890293588 /nfs/dbraw/zinc/29/35/88/890293588.db2.gz FKKRDQMHDYQJTR-JTQLQIEISA-N 1 2 282.344 -1.325 20 0 CAADLO CC(=O)N[C@@H](CC(=O)NCCc1[nH+]ccn1C)C(N)=O ZINC001419415936 890326007 /nfs/dbraw/zinc/32/60/07/890326007.db2.gz XQUBKDDGYNTKOA-VIFPVBQESA-N 1 2 281.316 -1.541 20 0 CAADLO C[C@H](C(N)=O)[N@H+](C)CCNC(=O)c1cn(C)ccc1=O ZINC001420265699 890422833 /nfs/dbraw/zinc/42/28/33/890422833.db2.gz DJGUWAKNVYEORV-SECBINFHSA-N 1 2 280.328 -1.079 20 0 CAADLO C[C@H](C(N)=O)[N@@H+](C)CCNC(=O)c1cn(C)ccc1=O ZINC001420265699 890422839 /nfs/dbraw/zinc/42/28/39/890422839.db2.gz DJGUWAKNVYEORV-SECBINFHSA-N 1 2 280.328 -1.079 20 0 CAADLO COC[C@H]1NC(=O)N(C[C@@H]2C[N@H+](C)CCO2)C1=O ZINC000925300493 883999552 /nfs/dbraw/zinc/99/95/52/883999552.db2.gz TUKZOXSSIVNVEF-DTWKUNHWSA-N 1 2 257.290 -1.116 20 0 CAADLO COC[C@H]1NC(=O)N(C[C@@H]2C[N@@H+](C)CCO2)C1=O ZINC000925300493 883999577 /nfs/dbraw/zinc/99/95/77/883999577.db2.gz TUKZOXSSIVNVEF-DTWKUNHWSA-N 1 2 257.290 -1.116 20 0 CAADLO NC(=O)C(=O)N[C@H]1C[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC000974391807 884003988 /nfs/dbraw/zinc/00/39/88/884003988.db2.gz DBEQRXYSLYGWDT-KNVOCYPGSA-N 1 2 265.273 -1.799 20 0 CAADLO C[C@@H]1[C@H]([NH2+]Cc2nnn(C)n2)CCN1C(=O)c1nc[nH]n1 ZINC000987192081 884006482 /nfs/dbraw/zinc/00/64/82/884006482.db2.gz YNAXQDQHLMXQOA-HTQZYQBOSA-N 1 2 291.319 -1.279 20 0 CAADLO C[C@@H]1[C@H]([NH2+]Cc2nnn(C)n2)CCN1C(=O)c1cnon1 ZINC000987207786 884006624 /nfs/dbraw/zinc/00/66/24/884006624.db2.gz QQLLZAVHSTZQSE-HTQZYQBOSA-N 1 2 292.303 -1.014 20 0 CAADLO C[C@@H]1[C@@H]([NH2+]Cc2nnn(C)n2)CCN1C(=O)c1cnon1 ZINC000987207788 884007289 /nfs/dbraw/zinc/00/72/89/884007289.db2.gz QQLLZAVHSTZQSE-SFYZADRCSA-N 1 2 292.303 -1.014 20 0 CAADLO CC(C)[NH+]1CC(NC(=O)c2c[nH]nc2S(N)(=O)=O)C1 ZINC001030935100 884015745 /nfs/dbraw/zinc/01/57/45/884015745.db2.gz ZTOWBPBSCYBMAI-UHFFFAOYSA-N 1 2 287.345 -1.121 20 0 CAADLO O=C(NC1C[NH+](CCO)C1)[C@H]1CCCCC(=O)N1 ZINC001030936760 884015929 /nfs/dbraw/zinc/01/59/29/884015929.db2.gz FYHDTZSZQQVOLH-SNVBAGLBSA-N 1 2 255.318 -1.162 20 0 CAADLO COCC[NH+]1CC(NC(=O)c2cn(C)c(=O)n2C)C1 ZINC001031448205 884016377 /nfs/dbraw/zinc/01/63/77/884016377.db2.gz YZXCKRQRWNTHPD-UHFFFAOYSA-N 1 2 268.317 -1.216 20 0 CAADLO CC(=O)N(C)C1C[NH+](C[C@H](O)CN2C(=O)CCC2=O)C1 ZINC001042393710 884017983 /nfs/dbraw/zinc/01/79/83/884017983.db2.gz WAIMZMNVUUJEMG-NSHDSACASA-N 1 2 283.328 -1.341 20 0 CAADLO CC(=O)N(CCO)CCNC(=O)Cc1c[nH+]cn1C ZINC001056729013 884020818 /nfs/dbraw/zinc/02/08/18/884020818.db2.gz VETVULJDSTYUTF-UHFFFAOYSA-N 1 2 268.317 -1.080 20 0 CAADLO CC(=O)N1CC(C(=O)N(C)C[C@H]2CC[N@H+]2[C@H](C)C(N)=O)C1 ZINC001085567258 884029855 /nfs/dbraw/zinc/02/98/55/884029855.db2.gz DGGVFHGEYQDASA-BXKDBHETSA-N 1 2 296.371 -1.129 20 0 CAADLO CC(=O)N1CC(C(=O)N(C)C[C@H]2CC[N@@H+]2[C@H](C)C(N)=O)C1 ZINC001085567258 884029875 /nfs/dbraw/zinc/02/98/75/884029875.db2.gz DGGVFHGEYQDASA-BXKDBHETSA-N 1 2 296.371 -1.129 20 0 CAADLO CN(C)C(=O)C[N@H+]1C[C@@H](NC(=O)[C@@H]2CCNC2=O)[C@@H](O)C1 ZINC001083698628 884029914 /nfs/dbraw/zinc/02/99/14/884029914.db2.gz PNRCERUNSRSUFD-BBBLOLIVSA-N 1 2 298.343 -2.628 20 0 CAADLO CN(C)C(=O)C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCNC2=O)[C@@H](O)C1 ZINC001083698628 884029933 /nfs/dbraw/zinc/02/99/33/884029933.db2.gz PNRCERUNSRSUFD-BBBLOLIVSA-N 1 2 298.343 -2.628 20 0 CAADLO COc1coc(C(=O)N[C@@H]2C[N@H+](CCO)C[C@@H]2O)cc1=O ZINC001083642839 884032614 /nfs/dbraw/zinc/03/26/14/884032614.db2.gz DHZGGCHCRLBJKA-SCZZXKLOSA-N 1 2 298.295 -1.584 20 0 CAADLO COc1coc(C(=O)N[C@@H]2C[N@@H+](CCO)C[C@@H]2O)cc1=O ZINC001083642839 884032630 /nfs/dbraw/zinc/03/26/30/884032630.db2.gz DHZGGCHCRLBJKA-SCZZXKLOSA-N 1 2 298.295 -1.584 20 0 CAADLO CC(=O)N1CC(C(=O)N(C)C[C@@H]2CC[N@H+]2[C@H](C)C(N)=O)C1 ZINC001085567261 884033204 /nfs/dbraw/zinc/03/32/04/884033204.db2.gz DGGVFHGEYQDASA-SKDRFNHKSA-N 1 2 296.371 -1.129 20 0 CAADLO CC(=O)N1CC(C(=O)N(C)C[C@@H]2CC[N@@H+]2[C@H](C)C(N)=O)C1 ZINC001085567261 884033217 /nfs/dbraw/zinc/03/32/17/884033217.db2.gz DGGVFHGEYQDASA-SKDRFNHKSA-N 1 2 296.371 -1.129 20 0 CAADLO NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CN1CCOCC1)C2 ZINC001095329553 884035451 /nfs/dbraw/zinc/03/54/51/884035451.db2.gz QYJPWWLETUYPMI-WOPDTQHZSA-N 1 2 296.371 -1.475 20 0 CAADLO NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CN1CCOCC1)C2 ZINC001095329553 884035464 /nfs/dbraw/zinc/03/54/64/884035464.db2.gz QYJPWWLETUYPMI-WOPDTQHZSA-N 1 2 296.371 -1.475 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)Cc2nc[nH]n2)[C@H]1C ZINC001088969896 884035985 /nfs/dbraw/zinc/03/59/85/884035985.db2.gz UYNKXIUSJRZWJT-BDAKNGLRSA-N 1 2 280.332 -1.328 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)Cc2nc[nH]n2)[C@H]1C ZINC001088969896 884036000 /nfs/dbraw/zinc/03/60/00/884036000.db2.gz UYNKXIUSJRZWJT-BDAKNGLRSA-N 1 2 280.332 -1.328 20 0 CAADLO CNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1nc[nH]n1)C2 ZINC001096303993 884036319 /nfs/dbraw/zinc/03/63/19/884036319.db2.gz NRTYFUIEBFSIIO-UTLUCORTSA-N 1 2 292.343 -1.185 20 0 CAADLO CNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1nc[nH]n1)C2 ZINC001096303993 884036335 /nfs/dbraw/zinc/03/63/35/884036335.db2.gz NRTYFUIEBFSIIO-UTLUCORTSA-N 1 2 292.343 -1.185 20 0 CAADLO CC(C)C(=O)N1CC(n2cc(C[NH2+]CC(N)=O)nn2)C1 ZINC001105159469 884037756 /nfs/dbraw/zinc/03/77/56/884037756.db2.gz OEIVMVNUZZOPCJ-UHFFFAOYSA-N 1 2 280.332 -1.108 20 0 CAADLO CO[C@H](C)C(=O)N1CC(n2cc(C[NH2+]CC(N)=O)nn2)C1 ZINC001105176653 884038093 /nfs/dbraw/zinc/03/80/93/884038093.db2.gz STKYMAKOTBNGMS-MRVPVSSYSA-N 1 2 296.331 -1.729 20 0 CAADLO C[C@@H]1C[C@@H]1C(=O)N1CC(n2cc(C[NH2+]CC(N)=O)nn2)C1 ZINC001105145215 884038145 /nfs/dbraw/zinc/03/81/45/884038145.db2.gz RWCBZSZXRJVSMY-KCJUWKMLSA-N 1 2 292.343 -1.108 20 0 CAADLO Cn1ncc2c1nc[nH+]c2NC[C@H](O)CNC(=O)C(N)=O ZINC001106077115 884038313 /nfs/dbraw/zinc/03/83/13/884038313.db2.gz IBEDJDZCRXFBBB-LURJTMIESA-N 1 2 293.287 -2.262 20 0 CAADLO CC(=O)NCC(=O)N1CC(n2cc(C[NH2+]CCF)nn2)C1 ZINC001105142966 884039820 /nfs/dbraw/zinc/03/98/20/884039820.db2.gz ZROUVUITRPAITN-UHFFFAOYSA-N 1 2 298.322 -1.143 20 0 CAADLO CSCC(=O)N1CC(n2cc(C[NH2+]CC(N)=O)nn2)C1 ZINC001105145144 884040017 /nfs/dbraw/zinc/04/00/17/884040017.db2.gz RGBXNXJSZXDMLM-UHFFFAOYSA-N 1 2 298.372 -1.401 20 0 CAADLO CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1nnc[nH]1 ZINC001114988257 884047459 /nfs/dbraw/zinc/04/74/59/884047459.db2.gz BHRQQVZRBIVOKO-MBTKJCJQSA-N 1 2 278.316 -1.399 20 0 CAADLO CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1nnc[nH]1 ZINC001114988257 884047473 /nfs/dbraw/zinc/04/74/73/884047473.db2.gz BHRQQVZRBIVOKO-MBTKJCJQSA-N 1 2 278.316 -1.399 20 0 CAADLO CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ncn[nH]1 ZINC001114988257 884047482 /nfs/dbraw/zinc/04/74/82/884047482.db2.gz BHRQQVZRBIVOKO-MBTKJCJQSA-N 1 2 278.316 -1.399 20 0 CAADLO CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ncn[nH]1 ZINC001114988257 884047496 /nfs/dbraw/zinc/04/74/96/884047496.db2.gz BHRQQVZRBIVOKO-MBTKJCJQSA-N 1 2 278.316 -1.399 20 0 CAADLO CC[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]Cc2n[nH]c(=O)[n-]2)C1 ZINC001151740840 884063271 /nfs/dbraw/zinc/06/32/71/884063271.db2.gz YJUCPJNIVOVOQK-VIFPVBQESA-N 1 2 298.347 -1.563 20 0 CAADLO CC[N@H+]1CCO[C@H](C(=O)NCC[NH2+]Cc2n[nH]c(=O)[n-]2)C1 ZINC001151740840 884063297 /nfs/dbraw/zinc/06/32/97/884063297.db2.gz YJUCPJNIVOVOQK-VIFPVBQESA-N 1 2 298.347 -1.563 20 0 CAADLO NC(=O)c1cnc(NC[C@H](O)C[NH+]2CCOCC2)cn1 ZINC001251006170 884080453 /nfs/dbraw/zinc/08/04/53/884080453.db2.gz DIQCUHLEASFLQW-VIFPVBQESA-N 1 2 281.316 -1.320 20 0 CAADLO Cc1nn(C)c(NC[C@H](O)C[NH+]2CCOCC2)c1C(N)=O ZINC001251004143 884081222 /nfs/dbraw/zinc/08/12/22/884081222.db2.gz SPWCBPIBPPFSGS-JTQLQIEISA-N 1 2 297.359 -1.068 20 0 CAADLO NC(=O)c1nccnc1NC[C@H](O)C[NH+]1CCOCC1 ZINC001251006255 884081330 /nfs/dbraw/zinc/08/13/30/884081330.db2.gz DWCOSDRYEBHZSJ-VIFPVBQESA-N 1 2 281.316 -1.320 20 0 CAADLO NC(=O)c1nccnc1NC[C@@H](O)C[NH+]1CCOCC1 ZINC001251006253 884081498 /nfs/dbraw/zinc/08/14/98/884081498.db2.gz DWCOSDRYEBHZSJ-SECBINFHSA-N 1 2 281.316 -1.320 20 0 CAADLO NC(=O)c1n[nH]cc1NC[C@H](O)C[NH+]1CCOCC1 ZINC001251008118 884081526 /nfs/dbraw/zinc/08/15/26/884081526.db2.gz YFCISMOYJVYEBO-QMMMGPOBSA-N 1 2 269.305 -1.386 20 0 CAADLO O=C1CN(C[C@H](O)C[NH+]2CCOCC2)CCCN1 ZINC001251009841 884081799 /nfs/dbraw/zinc/08/17/99/884081799.db2.gz QQWKMECODBQWJS-LLVKDONJSA-N 1 2 257.334 -1.499 20 0 CAADLO CC[N@H+]1C[C@@H](NC(=O)CCS(C)(=O)=O)[C@@H](O)C1 ZINC001263729565 884086865 /nfs/dbraw/zinc/08/68/65/884086865.db2.gz AWUSCKNDZQRRJN-BDAKNGLRSA-N 1 2 264.347 -1.398 20 0 CAADLO CC[N@@H+]1C[C@@H](NC(=O)CCS(C)(=O)=O)[C@@H](O)C1 ZINC001263729565 884086874 /nfs/dbraw/zinc/08/68/74/884086874.db2.gz AWUSCKNDZQRRJN-BDAKNGLRSA-N 1 2 264.347 -1.398 20 0 CAADLO NC(=O)C(=O)NC[C@H](O)C[NH2+]Cc1cnsn1 ZINC001268323911 884091127 /nfs/dbraw/zinc/09/11/27/884091127.db2.gz QZGVLVDRPSCLPJ-ZCFIWIBFSA-N 1 2 259.291 -2.410 20 0 CAADLO CN(C(=O)C[C@H]1CCC(=O)N1)C1C[NH+](CCOCCO)C1 ZINC001269861138 884096253 /nfs/dbraw/zinc/09/62/53/884096253.db2.gz CIJHYMLIOMPBOI-LLVKDONJSA-N 1 2 299.371 -1.193 20 0 CAADLO Cn1nnnc1C[NH2+]CC=CCNC(=O)[C@@H]1COC(=O)N1 ZINC001273991909 884100392 /nfs/dbraw/zinc/10/03/92/884100392.db2.gz WGODNNXUXSFZSJ-KZUAUGPASA-N 1 2 295.303 -1.920 20 0 CAADLO C[C@@]1(NC(=O)C(N)=O)CC[N@H+](CC(=O)NCC2CC2)C1 ZINC001278419800 884105141 /nfs/dbraw/zinc/10/51/41/884105141.db2.gz GRHWQBFYOUINII-CYBMUJFWSA-N 1 2 282.344 -1.422 20 0 CAADLO C[C@@]1(NC(=O)C(N)=O)CC[N@@H+](CC(=O)NCC2CC2)C1 ZINC001278419800 884105152 /nfs/dbraw/zinc/10/51/52/884105152.db2.gz GRHWQBFYOUINII-CYBMUJFWSA-N 1 2 282.344 -1.422 20 0 CAADLO Cn1cc(C[NH2+][C@H](CO)CNC(=O)C(C)(C)C(N)=O)nn1 ZINC001278099130 884105454 /nfs/dbraw/zinc/10/54/54/884105454.db2.gz DSSWMCXGAPLCMN-VIFPVBQESA-N 1 2 298.347 -2.107 20 0 CAADLO C[C@@]1(NC(=O)C(N)=O)CC[N@H+](CC(=O)N2CCC2)C1 ZINC001278421121 884105594 /nfs/dbraw/zinc/10/55/94/884105594.db2.gz SSGRHCGFNWUVOR-GFCCVEGCSA-N 1 2 268.317 -1.715 20 0 CAADLO C[C@@]1(NC(=O)C(N)=O)CC[N@@H+](CC(=O)N2CCC2)C1 ZINC001278421121 884105601 /nfs/dbraw/zinc/10/56/01/884105601.db2.gz SSGRHCGFNWUVOR-GFCCVEGCSA-N 1 2 268.317 -1.715 20 0 CAADLO CN(C[C@@H](O)C[N@H+](C)CC(N)=O)C(=O)C(=O)C(C)(C)C ZINC001278849373 884107525 /nfs/dbraw/zinc/10/75/25/884107525.db2.gz CGZYIXBXKWNJJY-VIFPVBQESA-N 1 2 287.360 -1.162 20 0 CAADLO CN(C[C@@H](O)C[N@@H+](C)CC(N)=O)C(=O)C(=O)C(C)(C)C ZINC001278849373 884107530 /nfs/dbraw/zinc/10/75/30/884107530.db2.gz CGZYIXBXKWNJJY-VIFPVBQESA-N 1 2 287.360 -1.162 20 0 CAADLO O=C(Cn1cc[nH+]c1)NCCNC(=O)c1cn[nH]n1 ZINC001292937382 884113243 /nfs/dbraw/zinc/11/32/43/884113243.db2.gz XZMUPQGHQQMANB-UHFFFAOYSA-N 1 2 263.261 -1.453 20 0 CAADLO O=C(Cn1cc[nH+]c1)NCCNC(=O)c1cnon1 ZINC001292935923 884113320 /nfs/dbraw/zinc/11/33/20/884113320.db2.gz KIGJCEMCHUMDJR-UHFFFAOYSA-N 1 2 264.245 -1.188 20 0 CAADLO NC(=O)[C@@H]1C[C@@H]1C(=O)NCCNC(=O)Cn1cc[nH+]c1 ZINC001292935911 884113530 /nfs/dbraw/zinc/11/35/30/884113530.db2.gz JVOTVCFCCJSKCX-BDAKNGLRSA-N 1 2 279.300 -1.763 20 0 CAADLO Cn1cc(CC[NH+]2CCN(CC(N)=O)CC2)nn1 ZINC001307556425 884124063 /nfs/dbraw/zinc/12/40/63/884124063.db2.gz BVTHHMAUYAPDTE-UHFFFAOYSA-N 1 2 252.322 -1.540 20 0 CAADLO CNC(=O)CC[N@H+](C)[C@H]1CS(=O)(=O)C[C@H]1OC ZINC001307456604 884124887 /nfs/dbraw/zinc/12/48/87/884124887.db2.gz UHQSIJCXUZXQGO-DTWKUNHWSA-N 1 2 264.347 -1.134 20 0 CAADLO CNC(=O)CC[N@@H+](C)[C@H]1CS(=O)(=O)C[C@H]1OC ZINC001307456604 884124894 /nfs/dbraw/zinc/12/48/94/884124894.db2.gz UHQSIJCXUZXQGO-DTWKUNHWSA-N 1 2 264.347 -1.134 20 0 CAADLO C[C@@H]1NC(=O)N(CC[NH+]2CCN(CC(N)=O)CC2)C1=O ZINC001307556615 884124942 /nfs/dbraw/zinc/12/49/42/884124942.db2.gz DXJQJVLJDDYOCH-VIFPVBQESA-N 1 2 283.332 -1.970 20 0 CAADLO O=C(C[N@H+]1C[C@@H](O)C[C@H]1CO)Nc1ccncc1 ZINC001307711206 884125624 /nfs/dbraw/zinc/12/56/24/884125624.db2.gz RSAMQEVMKLCTQV-QWRGUYRKSA-N 1 2 251.286 -1.131 20 0 CAADLO O=C(C[N@@H+]1C[C@@H](O)C[C@H]1CO)Nc1ccncc1 ZINC001307711206 884125632 /nfs/dbraw/zinc/12/56/32/884125632.db2.gz RSAMQEVMKLCTQV-QWRGUYRKSA-N 1 2 251.286 -1.131 20 0 CAADLO Cn1ncnc1C1(O)CC[NH+]([C@H]2CCNC2=O)CC1 ZINC001308048270 884128528 /nfs/dbraw/zinc/12/85/28/884128528.db2.gz YICBESSSTGUUSI-VIFPVBQESA-N 1 2 265.317 -1.013 20 0 CAADLO COC(=O)Cn1cc(C[NH2+]CC(=O)NC2CC2)nn1 ZINC001308746256 884131369 /nfs/dbraw/zinc/13/13/69/884131369.db2.gz CZXQFVKSCMHNAB-UHFFFAOYSA-N 1 2 267.289 -1.181 20 0 CAADLO C[C@@]1(CO)C[C@H](O)C[N@@H+]1Cc1cn(CC(N)=O)nn1 ZINC001308873056 884132728 /nfs/dbraw/zinc/13/27/28/884132728.db2.gz WALSMHHBXHPHNS-ONGXEEELSA-N 1 2 269.305 -1.919 20 0 CAADLO C[C@@]1(CO)C[C@H](O)C[N@H+]1Cc1cn(CC(N)=O)nn1 ZINC001308873056 884132741 /nfs/dbraw/zinc/13/27/41/884132741.db2.gz WALSMHHBXHPHNS-ONGXEEELSA-N 1 2 269.305 -1.919 20 0 CAADLO NS(=O)(=O)CCCNC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC001312937226 884145595 /nfs/dbraw/zinc/14/55/95/884145595.db2.gz LVMJXVLUNCXNNH-QMMMGPOBSA-N 1 2 287.345 -1.214 20 0 CAADLO NS(=O)(=O)CCCNC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC001312937216 884147425 /nfs/dbraw/zinc/14/74/25/884147425.db2.gz LVMJXVLUNCXNNH-MRVPVSSYSA-N 1 2 287.345 -1.214 20 0 CAADLO C[C@@H]1[C@@H](NC(=O)C(=O)NCC(F)F)CC[N@@H+]1CC(N)=O ZINC001316787737 884154827 /nfs/dbraw/zinc/15/48/27/884154827.db2.gz PFOPDKCBQUIBQK-RQJHMYQMSA-N 1 2 292.286 -1.568 20 0 CAADLO C[C@@H]1[C@@H](NC(=O)C(=O)NCC(F)F)CC[N@H+]1CC(N)=O ZINC001316787737 884154832 /nfs/dbraw/zinc/15/48/32/884154832.db2.gz PFOPDKCBQUIBQK-RQJHMYQMSA-N 1 2 292.286 -1.568 20 0 CAADLO CC[N@H+](CCCNC(=O)C1CS(=O)(=O)C1)CC(N)=O ZINC001316890827 884158310 /nfs/dbraw/zinc/15/83/10/884158310.db2.gz AQQNPZKWQYDIBP-UHFFFAOYSA-N 1 2 291.373 -1.656 20 0 CAADLO Cn1cnnc1C[N@H+](C)CCCNC(=O)[C@@H]1CNC(=O)N1 ZINC001316848875 884158574 /nfs/dbraw/zinc/15/85/74/884158574.db2.gz MBYAZZCVSTZDSX-VIFPVBQESA-N 1 2 295.347 -1.565 20 0 CAADLO Cn1cnnc1C[N@@H+](C)CCCNC(=O)[C@@H]1CNC(=O)N1 ZINC001316848875 884158585 /nfs/dbraw/zinc/15/85/85/884158585.db2.gz MBYAZZCVSTZDSX-VIFPVBQESA-N 1 2 295.347 -1.565 20 0 CAADLO Cn1cnnc1C[N@H+](C)CCCNC(=O)[C@H]1CNC(=O)N1 ZINC001316848872 884159316 /nfs/dbraw/zinc/15/93/16/884159316.db2.gz MBYAZZCVSTZDSX-SECBINFHSA-N 1 2 295.347 -1.565 20 0 CAADLO Cn1cnnc1C[N@@H+](C)CCCNC(=O)[C@H]1CNC(=O)N1 ZINC001316848872 884159329 /nfs/dbraw/zinc/15/93/29/884159329.db2.gz MBYAZZCVSTZDSX-SECBINFHSA-N 1 2 295.347 -1.565 20 0 CAADLO CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCNC2=O)C1 ZINC001316946418 884160087 /nfs/dbraw/zinc/16/00/87/884160087.db2.gz BDSAWGHVCCOBFV-GHMZBOCLSA-N 1 2 296.371 -1.161 20 0 CAADLO CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCNC2=O)C1 ZINC001316946418 884160088 /nfs/dbraw/zinc/16/00/88/884160088.db2.gz BDSAWGHVCCOBFV-GHMZBOCLSA-N 1 2 296.371 -1.161 20 0 CAADLO CNC(=O)[C@@H](C)[NH+]1CCN(CCNC(C)=O)CC1 ZINC001316966089 884163486 /nfs/dbraw/zinc/16/34/86/884163486.db2.gz JIVOEMYSBRAGKI-SNVBAGLBSA-N 1 2 256.350 -1.125 20 0 CAADLO C[C@H](NC(=O)C[N@@H+]1CC[C@@H](NC(=O)CC(N)=O)C1)C1CC1 ZINC001316975824 884164424 /nfs/dbraw/zinc/16/44/24/884164424.db2.gz ZZHBFTIMDCFKDR-GXSJLCMTSA-N 1 2 296.371 -1.033 20 0 CAADLO C[C@H](NC(=O)C[N@H+]1CC[C@@H](NC(=O)CC(N)=O)C1)C1CC1 ZINC001316975824 884164432 /nfs/dbraw/zinc/16/44/32/884164432.db2.gz ZZHBFTIMDCFKDR-GXSJLCMTSA-N 1 2 296.371 -1.033 20 0 CAADLO C[C@@H](NC(=O)C[N@@H+]1CC[C@@H](NC(=O)CC(N)=O)C1)C1CC1 ZINC001316975828 884164486 /nfs/dbraw/zinc/16/44/86/884164486.db2.gz ZZHBFTIMDCFKDR-MWLCHTKSSA-N 1 2 296.371 -1.033 20 0 CAADLO C[C@@H](NC(=O)C[N@H+]1CC[C@@H](NC(=O)CC(N)=O)C1)C1CC1 ZINC001316975828 884164491 /nfs/dbraw/zinc/16/44/91/884164491.db2.gz ZZHBFTIMDCFKDR-MWLCHTKSSA-N 1 2 296.371 -1.033 20 0 CAADLO NC(=O)CCCC(=O)N[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001316994292 884167740 /nfs/dbraw/zinc/16/77/40/884167740.db2.gz LCNAXYPDNNAXJI-QMMMGPOBSA-N 1 2 256.306 -1.682 20 0 CAADLO NC(=O)CCCC(=O)N[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001316994292 884167746 /nfs/dbraw/zinc/16/77/46/884167746.db2.gz LCNAXYPDNNAXJI-QMMMGPOBSA-N 1 2 256.306 -1.682 20 0 CAADLO Cc1nonc1C[NH2+][C@H](CNC(=O)C(N)=O)C1CC1 ZINC001317023403 884168564 /nfs/dbraw/zinc/16/85/64/884168564.db2.gz QBMCUMFEOWGJEA-SECBINFHSA-N 1 2 267.289 -1.152 20 0 CAADLO NC(=O)CCCC(=O)N[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001316994291 884169861 /nfs/dbraw/zinc/16/98/61/884169861.db2.gz LCNAXYPDNNAXJI-MRVPVSSYSA-N 1 2 256.306 -1.682 20 0 CAADLO NC(=O)CCCC(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001316994291 884169869 /nfs/dbraw/zinc/16/98/69/884169869.db2.gz LCNAXYPDNNAXJI-MRVPVSSYSA-N 1 2 256.306 -1.682 20 0 CAADLO C[C@H](CNC(=O)[C@@H]1CCC(=O)N1)[NH2+]Cc1cnon1 ZINC001317279855 884186131 /nfs/dbraw/zinc/18/61/31/884186131.db2.gz NQRNFVCEXVJMQW-APPZFPTMSA-N 1 2 267.289 -1.058 20 0 CAADLO CCN(CC)C(=O)C[N@H+](C)CCNC(=O)C(N)=O ZINC001317459791 884199547 /nfs/dbraw/zinc/19/95/47/884199547.db2.gz QTANVWJYIKPWKT-UHFFFAOYSA-N 1 2 258.322 -1.612 20 0 CAADLO CCN(CC)C(=O)C[N@@H+](C)CCNC(=O)C(N)=O ZINC001317459791 884199548 /nfs/dbraw/zinc/19/95/48/884199548.db2.gz QTANVWJYIKPWKT-UHFFFAOYSA-N 1 2 258.322 -1.612 20 0 CAADLO CCNC(=O)C[N@H+](C)CCNC(=O)C[C@H]1CC(=O)NC1=O ZINC001317475463 884200629 /nfs/dbraw/zinc/20/06/29/884200629.db2.gz JCYTYFUEIKGICL-VIFPVBQESA-N 1 2 298.343 -1.777 20 0 CAADLO CCNC(=O)C[N@@H+](C)CCNC(=O)C[C@H]1CC(=O)NC1=O ZINC001317475463 884200646 /nfs/dbraw/zinc/20/06/46/884200646.db2.gz JCYTYFUEIKGICL-VIFPVBQESA-N 1 2 298.343 -1.777 20 0 CAADLO CNC(=O)C[N@H+](C)CCNC(=O)[C@@H]1CNC(=O)N1 ZINC001317459634 884201470 /nfs/dbraw/zinc/20/14/70/884201470.db2.gz ZIICWYHCUCONKP-ZETCQYMHSA-N 1 2 257.294 -2.538 20 0 CAADLO CNC(=O)C[N@@H+](C)CCNC(=O)[C@@H]1CNC(=O)N1 ZINC001317459634 884201488 /nfs/dbraw/zinc/20/14/88/884201488.db2.gz ZIICWYHCUCONKP-ZETCQYMHSA-N 1 2 257.294 -2.538 20 0 CAADLO Cn1[nH]c(C[N@H+](C)CCNC(=O)[C@H]2CCNC2=O)nc1=O ZINC001317458225 884202139 /nfs/dbraw/zinc/20/21/39/884202139.db2.gz FMWXMWASEHLUIG-QMMMGPOBSA-N 1 2 296.331 -2.208 20 0 CAADLO Cn1[nH]c(C[N@@H+](C)CCNC(=O)[C@H]2CCNC2=O)nc1=O ZINC001317458225 884202155 /nfs/dbraw/zinc/20/21/55/884202155.db2.gz FMWXMWASEHLUIG-QMMMGPOBSA-N 1 2 296.331 -2.208 20 0 CAADLO CCNC(=O)C[N@H+](C)CCNC(=O)C[C@@H]1CC(=O)NC1=O ZINC001317475462 884204124 /nfs/dbraw/zinc/20/41/24/884204124.db2.gz JCYTYFUEIKGICL-SECBINFHSA-N 1 2 298.343 -1.777 20 0 CAADLO CCNC(=O)C[N@@H+](C)CCNC(=O)C[C@@H]1CC(=O)NC1=O ZINC001317475462 884204142 /nfs/dbraw/zinc/20/41/42/884204142.db2.gz JCYTYFUEIKGICL-SECBINFHSA-N 1 2 298.343 -1.777 20 0 CAADLO CN(CC1CC1)C(=O)C[N@H+](C)CCNC(=O)C(N)=O ZINC001317460314 884204628 /nfs/dbraw/zinc/20/46/28/884204628.db2.gz WVSVLHPDGRFSOU-UHFFFAOYSA-N 1 2 270.333 -1.612 20 0 CAADLO CN(CC1CC1)C(=O)C[N@@H+](C)CCNC(=O)C(N)=O ZINC001317460314 884204643 /nfs/dbraw/zinc/20/46/43/884204643.db2.gz WVSVLHPDGRFSOU-UHFFFAOYSA-N 1 2 270.333 -1.612 20 0 CAADLO CCNC(=O)C[N@H+](C)CCNC(=O)c1[nH]nnc1C ZINC001317459100 884204824 /nfs/dbraw/zinc/20/48/24/884204824.db2.gz NMTNTKZDDIHZEG-UHFFFAOYSA-N 1 2 268.321 -1.089 20 0 CAADLO CCNC(=O)C[N@@H+](C)CCNC(=O)c1[nH]nnc1C ZINC001317459100 884204841 /nfs/dbraw/zinc/20/48/41/884204841.db2.gz NMTNTKZDDIHZEG-UHFFFAOYSA-N 1 2 268.321 -1.089 20 0 CAADLO CN(C(=O)C[N@H+](C)CCNC(=O)[C@H]1CCNC1=O)C1CC1 ZINC001317459349 884205049 /nfs/dbraw/zinc/20/50/49/884205049.db2.gz OJUMRCNBVSXVFL-NSHDSACASA-N 1 2 296.371 -1.209 20 0 CAADLO CN(C(=O)C[N@@H+](C)CCNC(=O)[C@H]1CCNC1=O)C1CC1 ZINC001317459349 884205063 /nfs/dbraw/zinc/20/50/63/884205063.db2.gz OJUMRCNBVSXVFL-NSHDSACASA-N 1 2 296.371 -1.209 20 0 CAADLO CCn1nncc1C[N@@H+]1CCC[C@@H]1CNC(=O)C(N)=O ZINC001317510091 884210043 /nfs/dbraw/zinc/21/00/43/884210043.db2.gz UKUVXKQADGPEAB-SECBINFHSA-N 1 2 280.332 -1.136 20 0 CAADLO CCn1nncc1C[N@H+]1CCC[C@@H]1CNC(=O)C(N)=O ZINC001317510091 884210064 /nfs/dbraw/zinc/21/00/64/884210064.db2.gz UKUVXKQADGPEAB-SECBINFHSA-N 1 2 280.332 -1.136 20 0 CAADLO CC[N@H+](CCNC(=O)c1cn[nH]n1)[C@@H](C)C(=O)NC ZINC001317480927 884211550 /nfs/dbraw/zinc/21/15/50/884211550.db2.gz BSOGZRILPANOJC-QMMMGPOBSA-N 1 2 268.321 -1.009 20 0 CAADLO CC[N@@H+](CCNC(=O)c1cn[nH]n1)[C@@H](C)C(=O)NC ZINC001317480927 884211567 /nfs/dbraw/zinc/21/15/67/884211567.db2.gz BSOGZRILPANOJC-QMMMGPOBSA-N 1 2 268.321 -1.009 20 0 CAADLO CC[N@H+](CCNC(=O)c1cnn[nH]1)[C@@H](C)C(=O)NC ZINC001317480927 884211585 /nfs/dbraw/zinc/21/15/85/884211585.db2.gz BSOGZRILPANOJC-QMMMGPOBSA-N 1 2 268.321 -1.009 20 0 CAADLO CC[N@@H+](CCNC(=O)c1cnn[nH]1)[C@@H](C)C(=O)NC ZINC001317480927 884211603 /nfs/dbraw/zinc/21/16/03/884211603.db2.gz BSOGZRILPANOJC-QMMMGPOBSA-N 1 2 268.321 -1.009 20 0 CAADLO CCC[N@H+](CCNC(=O)CC(N)=O)Cc1nc(=O)n(C)[nH]1 ZINC001317538316 884212543 /nfs/dbraw/zinc/21/25/43/884212543.db2.gz HQXKLNWUMYHJBT-UHFFFAOYSA-N 1 2 298.347 -1.688 20 0 CAADLO CCC[N@@H+](CCNC(=O)CC(N)=O)Cc1nc(=O)n(C)[nH]1 ZINC001317538316 884212555 /nfs/dbraw/zinc/21/25/55/884212555.db2.gz HQXKLNWUMYHJBT-UHFFFAOYSA-N 1 2 298.347 -1.688 20 0 CAADLO CN(C)c1noc(C[N@@H+]2CC[C@@H](CNC(=O)C(N)=O)C2)n1 ZINC001317531814 884217675 /nfs/dbraw/zinc/21/76/75/884217675.db2.gz WLLRWALFMYLCRI-QMMMGPOBSA-N 1 2 296.331 -1.441 20 0 CAADLO CN(C)c1noc(C[N@H+]2CC[C@@H](CNC(=O)C(N)=O)C2)n1 ZINC001317531814 884217689 /nfs/dbraw/zinc/21/76/89/884217689.db2.gz WLLRWALFMYLCRI-QMMMGPOBSA-N 1 2 296.331 -1.441 20 0 CAADLO Cn1nnnc1C[N@H+]1CC[C@H](CNC(=O)C(N)=O)C1 ZINC001317534565 884218902 /nfs/dbraw/zinc/21/89/02/884218902.db2.gz DYHAMVXAOIXDJK-SSDOTTSWSA-N 1 2 267.293 -2.367 20 0 CAADLO Cn1nnnc1C[N@@H+]1CC[C@H](CNC(=O)C(N)=O)C1 ZINC001317534565 884218884 /nfs/dbraw/zinc/21/88/84/884218884.db2.gz DYHAMVXAOIXDJK-SSDOTTSWSA-N 1 2 267.293 -2.367 20 0 CAADLO CN(CC[NH2+]Cc1cnon1)C(=O)Cn1ncn(C)c1=O ZINC001317602882 884226150 /nfs/dbraw/zinc/22/61/50/884226150.db2.gz FBQUJSKBJPJBKF-UHFFFAOYSA-N 1 2 295.303 -1.787 20 0 CAADLO CN(CC[NH2+]Cc1nc(=O)n(C)[nH]1)C(=O)c1nc[nH]n1 ZINC001317639923 884229865 /nfs/dbraw/zinc/22/98/65/884229865.db2.gz OEUOUFXNFSZEAE-UHFFFAOYSA-N 1 2 280.292 -1.912 20 0 CAADLO CN(CCNCc1nnn(C)n1)C(=O)Cc1c[nH+]c[nH]1 ZINC001317634043 884230094 /nfs/dbraw/zinc/23/00/94/884230094.db2.gz MJDLDXIKDJEFIX-UHFFFAOYSA-N 1 2 278.320 -1.276 20 0 CAADLO CN(CC[NH2+]Cc1cnon1)C(=O)C1CC(=O)NC(=O)C1 ZINC001317639925 884231147 /nfs/dbraw/zinc/23/11/47/884231147.db2.gz OJOYUXAPPVXZQQ-UHFFFAOYSA-N 1 2 295.299 -1.330 20 0 CAADLO C[C@H]([NH2+]CCN(C)C(=O)C(N)=O)c1nnnn1C ZINC001317627420 884231478 /nfs/dbraw/zinc/23/14/78/884231478.db2.gz NJOXFUPJCRDUGA-LURJTMIESA-N 1 2 255.282 -2.196 20 0 CAADLO CCn1ncnc1C[NH2+]CCN(C)C(=O)C(N)=O ZINC001317628356 884231960 /nfs/dbraw/zinc/23/19/60/884231960.db2.gz PXWNEKWPOQVTHJ-UHFFFAOYSA-N 1 2 254.294 -1.669 20 0 CAADLO CC[C@@H](C(=O)N(C)CCNCc1nc(=O)n(C)[nH]1)[NH+](C)C ZINC001317629024 884232599 /nfs/dbraw/zinc/23/25/99/884232599.db2.gz MSGUUFWLYISFLX-JTQLQIEISA-N 1 2 298.391 -1.003 20 0 CAADLO CCc1noc(C[NH2+]CCN(C)C(=O)[C@H]2CNC(=O)N2)n1 ZINC001317633165 884232810 /nfs/dbraw/zinc/23/28/10/884232810.db2.gz HYHIQUVHZOPTHY-MRVPVSSYSA-N 1 2 296.331 -1.139 20 0 CAADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)CN1C(=O)CNC1=O ZINC001317970532 884240450 /nfs/dbraw/zinc/24/04/50/884240450.db2.gz XIOQRWJJVXCGTB-QMMMGPOBSA-N 1 2 265.273 -1.060 20 0 CAADLO CNC(=O)C1(C(=O)N[C@@H]2CCC[N@@H+]([C@@H](C)C(N)=O)C2)CC1 ZINC001317947534 884242739 /nfs/dbraw/zinc/24/27/39/884242739.db2.gz BGCWJYFIRSMQBO-VHSXEESVSA-N 1 2 296.371 -1.033 20 0 CAADLO CNC(=O)C1(C(=O)N[C@@H]2CCC[N@H+]([C@@H](C)C(N)=O)C2)CC1 ZINC001317947534 884242756 /nfs/dbraw/zinc/24/27/56/884242756.db2.gz BGCWJYFIRSMQBO-VHSXEESVSA-N 1 2 296.371 -1.033 20 0 CAADLO C[C@H](Cn1cc[nH+]c1)NC(=O)CN1C(=O)CNC1=O ZINC001317970531 884242880 /nfs/dbraw/zinc/24/28/80/884242880.db2.gz XIOQRWJJVXCGTB-MRVPVSSYSA-N 1 2 265.273 -1.060 20 0 CAADLO COC[C@H](O)C[NH+]1CC(NC(=O)c2cnnn2C)C1 ZINC001318019852 884249547 /nfs/dbraw/zinc/24/95/47/884249547.db2.gz FSXRDYNYULLYDW-SECBINFHSA-N 1 2 269.305 -1.764 20 0 CAADLO CNC(=O)NCC(=O)NC1C[NH+]([C@H](C)COC)C1 ZINC001318031018 884249632 /nfs/dbraw/zinc/24/96/32/884249632.db2.gz HYXXKRJAIVZIMO-MRVPVSSYSA-N 1 2 258.322 -1.249 20 0 CAADLO O=C(NC1C[NH+](CCOCCO)C1)[C@H]1CCNC(=O)CC1 ZINC001318046746 884250186 /nfs/dbraw/zinc/25/01/86/884250186.db2.gz DONJTZJRYCZVRD-LLVKDONJSA-N 1 2 299.371 -1.288 20 0 CAADLO CC(C)OCC[NH+]1CC(NC(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001318030915 884250275 /nfs/dbraw/zinc/25/02/75/884250275.db2.gz GQIXSTVWMLOPFS-JTQLQIEISA-N 1 2 298.343 -1.190 20 0 CAADLO Cn1cncc1C[NH+]1CC(CNC(=O)CC(N)=O)C1 ZINC001318110384 884250712 /nfs/dbraw/zinc/25/07/12/884250712.db2.gz QLVGDAQBVAGPFW-UHFFFAOYSA-N 1 2 265.317 -1.157 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(NC(=O)Cn2cncn2)C1 ZINC001318086701 884252561 /nfs/dbraw/zinc/25/25/61/884252561.db2.gz URZLHHSGENAZEF-JTQLQIEISA-N 1 2 269.305 -1.914 20 0 CAADLO CNS(=O)(=O)CC(=O)NC1C[NH+](CC2CC2)C1 ZINC001318086593 884253090 /nfs/dbraw/zinc/25/30/90/884253090.db2.gz HVQHAMGBILOOKX-UHFFFAOYSA-N 1 2 261.347 -1.254 20 0 CAADLO COC[C@H](O)C[NH+]1CC(NC(=O)c2ccncn2)C1 ZINC001318072155 884253219 /nfs/dbraw/zinc/25/32/19/884253219.db2.gz XOAQFOPBLKIBNY-SNVBAGLBSA-N 1 2 266.301 -1.102 20 0 CAADLO CCOCC[NH+]1CC(NC(=O)Cn2nc(C)n(C)c2=O)C1 ZINC001318081628 884253344 /nfs/dbraw/zinc/25/33/44/884253344.db2.gz LSPIJIJJFRDHDE-UHFFFAOYSA-N 1 2 297.359 -1.273 20 0 CAADLO CCOCC[NH+]1CC(NC(=O)CN2C(=O)CN(C)C2=O)C1 ZINC001318086903 884253446 /nfs/dbraw/zinc/25/34/46/884253446.db2.gz WFSIUVKPOWXYLY-UHFFFAOYSA-N 1 2 298.343 -1.283 20 0 CAADLO CCC[C@@H](NC(N)=O)C(=O)NC1C[NH+](CCO)C1 ZINC001318080870 884254028 /nfs/dbraw/zinc/25/40/28/884254028.db2.gz BOGLMEDSUFQHMA-SECBINFHSA-N 1 2 258.322 -1.384 20 0 CAADLO COC(=O)N1CCC[N@H+](CC(=O)NC(N)=O)CC1 ZINC001318162738 884255346 /nfs/dbraw/zinc/25/53/46/884255346.db2.gz GWLPSEHNSGWYPA-UHFFFAOYSA-N 1 2 258.278 -1.045 20 0 CAADLO COC(=O)N1CCC[N@@H+](CC(=O)NC(N)=O)CC1 ZINC001318162738 884255361 /nfs/dbraw/zinc/25/53/61/884255361.db2.gz GWLPSEHNSGWYPA-UHFFFAOYSA-N 1 2 258.278 -1.045 20 0 CAADLO Cc1cccn2cc(CC(=O)NC(C(N)=O)C(N)=O)[nH+]c12 ZINC001318184707 884256212 /nfs/dbraw/zinc/25/62/12/884256212.db2.gz LQYOJUPURJDNFG-UHFFFAOYSA-N 1 2 289.295 -1.359 20 0 CAADLO CCCNC(=O)C[NH+]1CC(CNC(=O)C(N)=O)C1 ZINC001318150999 884257174 /nfs/dbraw/zinc/25/71/74/884257174.db2.gz RUNHTRFAVIGVMZ-UHFFFAOYSA-N 1 2 256.306 -1.954 20 0 CAADLO CNC(=O)C[NH+]1CC(CNC(=O)CCCCNC(N)=O)C1 ZINC001318137186 884257668 /nfs/dbraw/zinc/25/76/68/884257668.db2.gz WTKOXGZEIDCYCK-UHFFFAOYSA-N 1 2 299.375 -1.381 20 0 CAADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)CC(N)=O ZINC001319033812 884303007 /nfs/dbraw/zinc/30/30/07/884303007.db2.gz FHBSCQKRMWSSDO-SECBINFHSA-N 1 2 259.306 -1.987 20 0 CAADLO CC(=O)N1CC[NH+](CCNC(=S)NCC(N)=O)CC1 ZINC001318209431 884262710 /nfs/dbraw/zinc/26/27/10/884262710.db2.gz CSYPUXGLAQXRID-UHFFFAOYSA-N 1 2 287.389 -1.900 20 0 CAADLO CN(CC[NH+]1CCOCC1)C(=O)CN1C(=O)CNC1=O ZINC001318187912 884262973 /nfs/dbraw/zinc/26/29/73/884262973.db2.gz BAVNLTXCZXUMDJ-UHFFFAOYSA-N 1 2 284.316 -1.671 20 0 CAADLO NC(=O)C1(C(=O)N[C@H]2CC[N@H+](CC(=O)NC3CC3)C2)CC1 ZINC001318273197 884265328 /nfs/dbraw/zinc/26/53/28/884265328.db2.gz OQWKUEYYNYGLDS-JTQLQIEISA-N 1 2 294.355 -1.279 20 0 CAADLO NC(=O)C1(C(=O)N[C@H]2CC[N@@H+](CC(=O)NC3CC3)C2)CC1 ZINC001318273197 884265347 /nfs/dbraw/zinc/26/53/47/884265347.db2.gz OQWKUEYYNYGLDS-JTQLQIEISA-N 1 2 294.355 -1.279 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+]1CC[C@H](NC(=O)C(=O)NCC2CC2)C1 ZINC001318290489 884268100 /nfs/dbraw/zinc/26/81/00/884268100.db2.gz AAXNDXMBIXFVPQ-KOLCDFICSA-N 1 2 296.371 -1.162 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+]1CC[C@H](NC(=O)C(=O)NCC2CC2)C1 ZINC001318290489 884268117 /nfs/dbraw/zinc/26/81/17/884268117.db2.gz AAXNDXMBIXFVPQ-KOLCDFICSA-N 1 2 296.371 -1.162 20 0 CAADLO CCn1nncc1C[N@@H+]1CC[C@@H](NC(=O)CC(N)=O)C1 ZINC001318321099 884268250 /nfs/dbraw/zinc/26/82/50/884268250.db2.gz YQADENRLTYSROI-SECBINFHSA-N 1 2 280.332 -1.136 20 0 CAADLO CCn1nncc1C[N@H+]1CC[C@@H](NC(=O)CC(N)=O)C1 ZINC001318321099 884268269 /nfs/dbraw/zinc/26/82/69/884268269.db2.gz YQADENRLTYSROI-SECBINFHSA-N 1 2 280.332 -1.136 20 0 CAADLO C[N@H+](CCN1C(=O)CNC1=O)[C@H]1CCS(=O)(=O)C1 ZINC001318365491 884269433 /nfs/dbraw/zinc/26/94/33/884269433.db2.gz MPUYKOHIRWIYGA-QMMMGPOBSA-N 1 2 275.330 -1.343 20 0 CAADLO C[N@@H+](CCN1C(=O)CNC1=O)[C@H]1CCS(=O)(=O)C1 ZINC001318365491 884269446 /nfs/dbraw/zinc/26/94/46/884269446.db2.gz MPUYKOHIRWIYGA-QMMMGPOBSA-N 1 2 275.330 -1.343 20 0 CAADLO C[C@H]1COCC[N@@H+]1CCNC(=O)CC[C@@H]1NC(=O)NC1=O ZINC001318343632 884271015 /nfs/dbraw/zinc/27/10/15/884271015.db2.gz LXDYVILVOITPLI-UWVGGRQHSA-N 1 2 298.343 -1.189 20 0 CAADLO C[C@H]1COCC[N@H+]1CCNC(=O)CC[C@@H]1NC(=O)NC1=O ZINC001318343632 884271030 /nfs/dbraw/zinc/27/10/30/884271030.db2.gz LXDYVILVOITPLI-UWVGGRQHSA-N 1 2 298.343 -1.189 20 0 CAADLO CNC(=O)C1(C(=O)N[C@@H]2CC[N@@H+]([C@@H](C)C(N)=O)C2)CC1 ZINC001318360849 884271218 /nfs/dbraw/zinc/27/12/18/884271218.db2.gz WPSKMQLWWZTDSB-DTWKUNHWSA-N 1 2 282.344 -1.423 20 0 CAADLO CNC(=O)C1(C(=O)N[C@@H]2CC[N@H+]([C@@H](C)C(N)=O)C2)CC1 ZINC001318360849 884271234 /nfs/dbraw/zinc/27/12/34/884271234.db2.gz WPSKMQLWWZTDSB-DTWKUNHWSA-N 1 2 282.344 -1.423 20 0 CAADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)CC[C@H]1NC(=O)NC1=O ZINC001318343631 884271722 /nfs/dbraw/zinc/27/17/22/884271722.db2.gz LXDYVILVOITPLI-NXEZZACHSA-N 1 2 298.343 -1.189 20 0 CAADLO C[C@@H]1COCC[N@H+]1CCNC(=O)CC[C@H]1NC(=O)NC1=O ZINC001318343631 884271733 /nfs/dbraw/zinc/27/17/33/884271733.db2.gz LXDYVILVOITPLI-NXEZZACHSA-N 1 2 298.343 -1.189 20 0 CAADLO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)Cn1cnnn1 ZINC001318375392 884271831 /nfs/dbraw/zinc/27/18/31/884271831.db2.gz LKPKRZYCKUMGOP-JTQLQIEISA-N 1 2 267.337 -1.575 20 0 CAADLO CNC(=O)C1(C(=O)N[C@@H]2CC[N@@H+]([C@@H](C)C(N)=O)C2)CCC1 ZINC001318367254 884272768 /nfs/dbraw/zinc/27/27/68/884272768.db2.gz RANBWKDWDRXZAN-VHSXEESVSA-N 1 2 296.371 -1.033 20 0 CAADLO CNC(=O)C1(C(=O)N[C@@H]2CC[N@H+]([C@@H](C)C(N)=O)C2)CCC1 ZINC001318367254 884272773 /nfs/dbraw/zinc/27/27/73/884272773.db2.gz RANBWKDWDRXZAN-VHSXEESVSA-N 1 2 296.371 -1.033 20 0 CAADLO CN1CC[N@H+](C)[C@@H](CNC(=O)CCN2C(=O)CCC2=O)C1 ZINC001318394377 884274890 /nfs/dbraw/zinc/27/48/90/884274890.db2.gz KVWJVGCEQBSSBH-NSHDSACASA-N 1 2 296.371 -1.113 20 0 CAADLO CN1CC[N@@H+](C)[C@@H](CNC(=O)CCN2C(=O)CCC2=O)C1 ZINC001318394377 884274911 /nfs/dbraw/zinc/27/49/11/884274911.db2.gz KVWJVGCEQBSSBH-NSHDSACASA-N 1 2 296.371 -1.113 20 0 CAADLO CNC(=O)NC(=O)C[N@@H+]1CCCN(C(N)=O)CC1 ZINC001318454424 884276443 /nfs/dbraw/zinc/27/64/43/884276443.db2.gz QCXYMRCSJSAVPF-UHFFFAOYSA-N 1 2 257.294 -1.472 20 0 CAADLO CNC(=O)NC(=O)C[N@H+]1CCCN(C(N)=O)CC1 ZINC001318454424 884276457 /nfs/dbraw/zinc/27/64/57/884276457.db2.gz QCXYMRCSJSAVPF-UHFFFAOYSA-N 1 2 257.294 -1.472 20 0 CAADLO CCN(C)C(=O)C[N@@H+]1CC[C@H](N(CC)C(=O)C(N)=O)C1 ZINC001318483744 884279421 /nfs/dbraw/zinc/27/94/21/884279421.db2.gz SVKRPDBLFLUUNW-JTQLQIEISA-N 1 2 284.360 -1.127 20 0 CAADLO CCN(C)C(=O)C[N@H+]1CC[C@H](N(CC)C(=O)C(N)=O)C1 ZINC001318483744 884279429 /nfs/dbraw/zinc/27/94/29/884279429.db2.gz SVKRPDBLFLUUNW-JTQLQIEISA-N 1 2 284.360 -1.127 20 0 CAADLO CCN(C(=O)C(N)=O)[C@@H]1CC[N@@H+]([C@@H](C)C(N)=O)C1 ZINC001318484804 884279767 /nfs/dbraw/zinc/27/97/67/884279767.db2.gz ZHGIZWAPEYWGRW-JGVFFNPUSA-N 1 2 256.306 -1.732 20 0 CAADLO CCN(C(=O)C(N)=O)[C@@H]1CC[N@H+]([C@@H](C)C(N)=O)C1 ZINC001318484804 884279784 /nfs/dbraw/zinc/27/97/84/884279784.db2.gz ZHGIZWAPEYWGRW-JGVFFNPUSA-N 1 2 256.306 -1.732 20 0 CAADLO CC[C@H](CNC(=O)C(N)=O)[NH2+]Cc1nc(COC)no1 ZINC001318567238 884284443 /nfs/dbraw/zinc/28/44/43/884284443.db2.gz GPLXIYHRPAQFCZ-SSDOTTSWSA-N 1 2 285.304 -1.314 20 0 CAADLO CC[C@@H](CNC(=O)C(N)=O)[NH2+]Cc1nc(COC)no1 ZINC001318567239 884286454 /nfs/dbraw/zinc/28/64/54/884286454.db2.gz GPLXIYHRPAQFCZ-ZETCQYMHSA-N 1 2 285.304 -1.314 20 0 CAADLO CNC(=O)C[N@@H+]1CCC[C@H](CNS(N)(=O)=O)C1 ZINC001318658109 884289207 /nfs/dbraw/zinc/28/92/07/884289207.db2.gz JHGDTGUUAFNIIU-MRVPVSSYSA-N 1 2 264.351 -1.763 20 0 CAADLO CNC(=O)C[N@H+]1CCC[C@H](CNS(N)(=O)=O)C1 ZINC001318658109 884289226 /nfs/dbraw/zinc/28/92/26/884289226.db2.gz JHGDTGUUAFNIIU-MRVPVSSYSA-N 1 2 264.351 -1.763 20 0 CAADLO NC(=O)[C@@H]1C[N@H+](CCCS(N)(=O)=O)CCO1 ZINC001318681750 884292072 /nfs/dbraw/zinc/29/20/72/884292072.db2.gz KFPFHDUAIOHWEU-ZETCQYMHSA-N 1 2 251.308 -2.149 20 0 CAADLO NC(=O)[C@@H]1C[N@@H+](CCCS(N)(=O)=O)CCO1 ZINC001318681750 884292085 /nfs/dbraw/zinc/29/20/85/884292085.db2.gz KFPFHDUAIOHWEU-ZETCQYMHSA-N 1 2 251.308 -2.149 20 0 CAADLO Cn1nnc(C[NH2+]C[C@@](C)(NC(=O)CC(N)=O)C2CC2)n1 ZINC001318687856 884293487 /nfs/dbraw/zinc/29/34/87/884293487.db2.gz QORVKPXQJZVLCV-GFCCVEGCSA-N 1 2 295.347 -1.540 20 0 CAADLO Cn1ccnc(N2CCC[N@H+](CC(N)=O)CC2)c1=O ZINC001318849242 884298018 /nfs/dbraw/zinc/29/80/18/884298018.db2.gz ZLUCXYXZPAMSHA-UHFFFAOYSA-N 1 2 265.317 -1.222 20 0 CAADLO Cn1ccnc(N2CCC[N@@H+](CC(N)=O)CC2)c1=O ZINC001318849242 884298032 /nfs/dbraw/zinc/29/80/32/884298032.db2.gz ZLUCXYXZPAMSHA-UHFFFAOYSA-N 1 2 265.317 -1.222 20 0 CAADLO O=C(CN1C(=O)CNC1=O)N1CC(n2cc[nH+]c2)C1 ZINC001318832740 884298067 /nfs/dbraw/zinc/29/80/67/884298067.db2.gz GWVKURGEAIZPNO-UHFFFAOYSA-N 1 2 263.257 -1.182 20 0 CAADLO CCN1C(=O)[C@@H]2C[N@H+](CCS(N)(=O)=O)CCN2C1=O ZINC001318982522 884305466 /nfs/dbraw/zinc/30/54/66/884305466.db2.gz ZIIWOURQMDDYSD-QMMMGPOBSA-N 1 2 290.345 -1.757 20 0 CAADLO CCN1C(=O)[C@@H]2C[N@@H+](CCS(N)(=O)=O)CCN2C1=O ZINC001318982522 884305481 /nfs/dbraw/zinc/30/54/81/884305481.db2.gz ZIIWOURQMDDYSD-QMMMGPOBSA-N 1 2 290.345 -1.757 20 0 CAADLO CN1C(=O)C(=O)N(CC(=O)NCCc2[nH]cc[nH+]2)C1=O ZINC001319278059 884316959 /nfs/dbraw/zinc/31/69/59/884316959.db2.gz IANFQIJUNDAJJS-UHFFFAOYSA-N 1 2 279.256 -1.511 20 0 CAADLO NC(=O)CC(=O)NC[C@@H]1C[N@H+](CCn2cccn2)CCO1 ZINC001319299213 884321042 /nfs/dbraw/zinc/32/10/42/884321042.db2.gz ZDDVDQYUDRDMJM-LLVKDONJSA-N 1 2 295.343 -1.425 20 0 CAADLO NC(=O)CC(=O)NC[C@@H]1C[N@@H+](CCn2cccn2)CCO1 ZINC001319299213 884321062 /nfs/dbraw/zinc/32/10/62/884321062.db2.gz ZDDVDQYUDRDMJM-LLVKDONJSA-N 1 2 295.343 -1.425 20 0 CAADLO O=C(C[C@@H]1CC(=O)NC1=O)NC[C@H]1C[N@H+](CCO)CCO1 ZINC001319331738 884321124 /nfs/dbraw/zinc/32/11/24/884321124.db2.gz HQLURBHYDHYEON-ZJUUUORDSA-N 1 2 299.327 -2.152 20 0 CAADLO O=C(C[C@@H]1CC(=O)NC1=O)NC[C@H]1C[N@@H+](CCO)CCO1 ZINC001319331738 884321142 /nfs/dbraw/zinc/32/11/42/884321142.db2.gz HQLURBHYDHYEON-ZJUUUORDSA-N 1 2 299.327 -2.152 20 0 CAADLO CC(C)OCC[N@@H+]1CCO[C@@H](CNC(=O)C(N)=O)C1 ZINC001319318920 884321198 /nfs/dbraw/zinc/32/11/98/884321198.db2.gz NDGNDHIEBQTNCK-JTQLQIEISA-N 1 2 273.333 -1.286 20 0 CAADLO CC(C)OCC[N@H+]1CCO[C@@H](CNC(=O)C(N)=O)C1 ZINC001319318920 884321215 /nfs/dbraw/zinc/32/12/15/884321215.db2.gz NDGNDHIEBQTNCK-JTQLQIEISA-N 1 2 273.333 -1.286 20 0 CAADLO CC(C)(O)CC(=O)NC[C@@H]1C[N@H+](CCO)CCO1 ZINC001319305855 884321860 /nfs/dbraw/zinc/32/18/60/884321860.db2.gz PTSOAIXDLHEMOX-SNVBAGLBSA-N 1 2 260.334 -1.043 20 0 CAADLO CC(C)(O)CC(=O)NC[C@@H]1C[N@@H+](CCO)CCO1 ZINC001319305855 884321876 /nfs/dbraw/zinc/32/18/76/884321876.db2.gz PTSOAIXDLHEMOX-SNVBAGLBSA-N 1 2 260.334 -1.043 20 0 CAADLO CC(C)OCC[N@@H+]1CCO[C@H](CNC(=O)C(N)=O)C1 ZINC001319318921 884325036 /nfs/dbraw/zinc/32/50/36/884325036.db2.gz NDGNDHIEBQTNCK-SNVBAGLBSA-N 1 2 273.333 -1.286 20 0 CAADLO CC(C)OCC[N@H+]1CCO[C@H](CNC(=O)C(N)=O)C1 ZINC001319318921 884325053 /nfs/dbraw/zinc/32/50/53/884325053.db2.gz NDGNDHIEBQTNCK-SNVBAGLBSA-N 1 2 273.333 -1.286 20 0 CAADLO C[C@H](NC(=O)C[N@H+]1C[C@@H](O)[C@@H](O)C1)C(=O)N(C)C ZINC001319426918 884326480 /nfs/dbraw/zinc/32/64/80/884326480.db2.gz PZJDFSKGWLJJCH-XHNCKOQMSA-N 1 2 259.306 -2.383 20 0 CAADLO C[C@H](NC(=O)C[N@@H+]1C[C@@H](O)[C@@H](O)C1)C(=O)N(C)C ZINC001319426918 884326491 /nfs/dbraw/zinc/32/64/91/884326491.db2.gz PZJDFSKGWLJJCH-XHNCKOQMSA-N 1 2 259.306 -2.383 20 0 CAADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C1(C(N)=O)CC1 ZINC001319435754 884331614 /nfs/dbraw/zinc/33/16/14/884331614.db2.gz HFMBIJABVHCUFE-SNVBAGLBSA-N 1 2 285.344 -1.597 20 0 CAADLO C[C@H]1CO[C@H](CO)C[N@@H+]1CCCS(N)(=O)=O ZINC001319765184 884353589 /nfs/dbraw/zinc/35/35/89/884353589.db2.gz AHOWMWMPVMXELT-IUCAKERBSA-N 1 2 252.336 -1.253 20 0 CAADLO C[C@H]1CO[C@H](CO)C[N@H+]1CCCS(N)(=O)=O ZINC001319765184 884353607 /nfs/dbraw/zinc/35/36/07/884353607.db2.gz AHOWMWMPVMXELT-IUCAKERBSA-N 1 2 252.336 -1.253 20 0 CAADLO Cn1nccc1NC(=O)C(=O)N1CC[NH+](CCO)CC1 ZINC001319818319 884354103 /nfs/dbraw/zinc/35/41/03/884354103.db2.gz IIHJRNSJNZJACI-UHFFFAOYSA-N 1 2 281.316 -1.505 20 0 CAADLO O=C1CCC(=O)N1CC[N@@H+]1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC001319902353 884358366 /nfs/dbraw/zinc/35/83/66/884358366.db2.gz AQWLNNCBUUIVMI-QMMMGPOBSA-N 1 2 280.284 -1.629 20 0 CAADLO O=C1CCC(=O)N1CC[N@H+]1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC001319902353 884358379 /nfs/dbraw/zinc/35/83/79/884358379.db2.gz AQWLNNCBUUIVMI-QMMMGPOBSA-N 1 2 280.284 -1.629 20 0 CAADLO CN1CCC[C@@H]([NH+]2CCN(CC(N)=O)CC2)C1=O ZINC001319902587 884359666 /nfs/dbraw/zinc/35/96/66/884359666.db2.gz CCBCMSGLRODXSR-SNVBAGLBSA-N 1 2 254.334 -1.290 20 0 CAADLO Cn1cnn(CC(=O)NCCc2[nH]cc[nH+]2)c1=O ZINC001319901539 884360651 /nfs/dbraw/zinc/36/06/51/884360651.db2.gz GAIZVHMXKLXFQR-UHFFFAOYSA-N 1 2 250.262 -1.336 20 0 CAADLO O=C1CCCN1CC[N@@H+]1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC001320014443 884365645 /nfs/dbraw/zinc/36/56/45/884365645.db2.gz DBWKFPHLYKRFNL-VIFPVBQESA-N 1 2 266.301 -1.155 20 0 CAADLO O=C1CCCN1CC[N@H+]1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC001320014443 884365652 /nfs/dbraw/zinc/36/56/52/884365652.db2.gz DBWKFPHLYKRFNL-VIFPVBQESA-N 1 2 266.301 -1.155 20 0 CAADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)C[C@@H]1NC(=O)NC1=O ZINC001320025871 884370548 /nfs/dbraw/zinc/37/05/48/884370548.db2.gz IZRYREKLVBALRE-BDAKNGLRSA-N 1 2 284.316 -1.579 20 0 CAADLO C[C@@H]1COCC[N@H+]1CCNC(=O)C[C@@H]1NC(=O)NC1=O ZINC001320025871 884370558 /nfs/dbraw/zinc/37/05/58/884370558.db2.gz IZRYREKLVBALRE-BDAKNGLRSA-N 1 2 284.316 -1.579 20 0 CAADLO CN(CC[N@H+](C)C[C@H]1CCS(=O)(=O)C1)C(=O)C(N)=O ZINC001320047289 884370828 /nfs/dbraw/zinc/37/08/28/884370828.db2.gz IWOTYELEOCBVEP-SECBINFHSA-N 1 2 291.373 -1.703 20 0 CAADLO CN(CC[N@@H+](C)C[C@H]1CCS(=O)(=O)C1)C(=O)C(N)=O ZINC001320047289 884370845 /nfs/dbraw/zinc/37/08/45/884370845.db2.gz IWOTYELEOCBVEP-SECBINFHSA-N 1 2 291.373 -1.703 20 0 CAADLO CN1C(=O)C(=O)N(C[NH+]2CCC3(COC(=O)N3)CC2)C1=O ZINC001320030347 884370926 /nfs/dbraw/zinc/37/09/26/884370926.db2.gz HQQWJJGQVLLJKP-UHFFFAOYSA-N 1 2 296.283 -1.061 20 0 CAADLO C[C@H](CC(N)=O)C(=O)N(C)CC[N@H+](C)CC(N)=O ZINC001320034651 884371269 /nfs/dbraw/zinc/37/12/69/884371269.db2.gz UDKMMNNEWNXCGA-MRVPVSSYSA-N 1 2 258.322 -1.627 20 0 CAADLO C[C@H](CC(N)=O)C(=O)N(C)CC[N@@H+](C)CC(N)=O ZINC001320034651 884371287 /nfs/dbraw/zinc/37/12/87/884371287.db2.gz UDKMMNNEWNXCGA-MRVPVSSYSA-N 1 2 258.322 -1.627 20 0 CAADLO Cn1ccc(NC(=O)C(=O)N2CC[NH+](CCO)CC2)n1 ZINC001320053598 884371389 /nfs/dbraw/zinc/37/13/89/884371389.db2.gz VTSDFJWLCCKTKK-UHFFFAOYSA-N 1 2 281.316 -1.505 20 0 CAADLO CN(CC[N@H+](C)C[C@@H]1CCS(=O)(=O)C1)C(=O)C(N)=O ZINC001320047295 884372257 /nfs/dbraw/zinc/37/22/57/884372257.db2.gz IWOTYELEOCBVEP-VIFPVBQESA-N 1 2 291.373 -1.703 20 0 CAADLO CN(CC[N@@H+](C)C[C@@H]1CCS(=O)(=O)C1)C(=O)C(N)=O ZINC001320047295 884372273 /nfs/dbraw/zinc/37/22/73/884372273.db2.gz IWOTYELEOCBVEP-VIFPVBQESA-N 1 2 291.373 -1.703 20 0 CAADLO CN(C)C(=O)NCC[N@H+](C)Cc1nc(=O)n(C)[nH]1 ZINC001320088257 884376620 /nfs/dbraw/zinc/37/66/20/884376620.db2.gz NUAXWTVCOGPYJO-UHFFFAOYSA-N 1 2 256.310 -1.189 20 0 CAADLO CN(C)C(=O)NCC[N@@H+](C)Cc1nc(=O)n(C)[nH]1 ZINC001320088257 884376633 /nfs/dbraw/zinc/37/66/33/884376633.db2.gz NUAXWTVCOGPYJO-UHFFFAOYSA-N 1 2 256.310 -1.189 20 0 CAADLO O=C1NC(=O)N2CC[N@H+](CCn3cncn3)C[C@@H]12 ZINC001320160881 884377830 /nfs/dbraw/zinc/37/78/30/884377830.db2.gz ZXDJAJBNHGLAJZ-QMMMGPOBSA-N 1 2 250.262 -1.486 20 0 CAADLO O=C1NC(=O)N2CC[N@@H+](CCn3cncn3)C[C@@H]12 ZINC001320160881 884377846 /nfs/dbraw/zinc/37/78/46/884377846.db2.gz ZXDJAJBNHGLAJZ-QMMMGPOBSA-N 1 2 250.262 -1.486 20 0 CAADLO C[C@@H]([NH2+]C[C@H](O)CNC(=O)CC(N)=O)c1csnn1 ZINC001320204293 884385419 /nfs/dbraw/zinc/38/54/19/884385419.db2.gz XJJSAQZZVIVWGI-RQJHMYQMSA-N 1 2 287.345 -1.459 20 0 CAADLO C[C@@H]([NH2+]C[C@@H](O)CNC(=O)CC(N)=O)c1csnn1 ZINC001320204292 884387040 /nfs/dbraw/zinc/38/70/40/884387040.db2.gz XJJSAQZZVIVWGI-RNFRBKRXSA-N 1 2 287.345 -1.459 20 0 CAADLO CNC(=O)[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)CCO1 ZINC001320255600 884403240 /nfs/dbraw/zinc/40/32/40/884403240.db2.gz YSNMNBNQHBBZMC-QMMMGPOBSA-N 1 2 270.289 -2.015 20 0 CAADLO CNC(=O)[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)CCO1 ZINC001320255600 884403250 /nfs/dbraw/zinc/40/32/50/884403250.db2.gz YSNMNBNQHBBZMC-QMMMGPOBSA-N 1 2 270.289 -2.015 20 0 CAADLO COCCc1nc(C[NH2+]CC[C@@H](C)NC(=O)C(N)=O)no1 ZINC001320535772 884429640 /nfs/dbraw/zinc/42/96/40/884429640.db2.gz RSIHAGIBLLZARX-MRVPVSSYSA-N 1 2 299.331 -1.272 20 0 CAADLO O=C1CNC(=O)N1CCC[N@@H+]1CCN2C(=O)NC(=O)[C@H]2C1 ZINC001320720141 884443446 /nfs/dbraw/zinc/44/34/46/884443446.db2.gz ADEFTEOPUCQZHF-MRVPVSSYSA-N 1 2 295.299 -1.836 20 0 CAADLO O=C1CNC(=O)N1CCC[N@H+]1CCN2C(=O)NC(=O)[C@H]2C1 ZINC001320720141 884443453 /nfs/dbraw/zinc/44/34/53/884443453.db2.gz ADEFTEOPUCQZHF-MRVPVSSYSA-N 1 2 295.299 -1.836 20 0 CAADLO O=C1O[C@H](C[N@@H+]2CCN3C(=O)C(=O)NC[C@H]3C2)CC12CC2 ZINC001320772976 884445260 /nfs/dbraw/zinc/44/52/60/884445260.db2.gz MMAJHCOSSUHLBK-UWVGGRQHSA-N 1 2 293.323 -1.275 20 0 CAADLO O=C1O[C@H](C[N@H+]2CCN3C(=O)C(=O)NC[C@H]3C2)CC12CC2 ZINC001320772976 884445262 /nfs/dbraw/zinc/44/52/62/884445262.db2.gz MMAJHCOSSUHLBK-UWVGGRQHSA-N 1 2 293.323 -1.275 20 0 CAADLO COC(=O)[C@H]1C[C@H](O)C[N@@H+]1CCCN1C(=O)CNC1=O ZINC001320783963 884448118 /nfs/dbraw/zinc/44/81/18/884448118.db2.gz YGANPCPVHHJTSP-DTWKUNHWSA-N 1 2 285.300 -1.464 20 0 CAADLO COC(=O)[C@H]1C[C@H](O)C[N@H+]1CCCN1C(=O)CNC1=O ZINC001320783963 884448121 /nfs/dbraw/zinc/44/81/21/884448121.db2.gz YGANPCPVHHJTSP-DTWKUNHWSA-N 1 2 285.300 -1.464 20 0 CAADLO COC(=O)[C@H]1C[C@@H](O)C[N@@H+]1CCCN1C(=O)CNC1=O ZINC001320783965 884448692 /nfs/dbraw/zinc/44/86/92/884448692.db2.gz YGANPCPVHHJTSP-RKDXNWHRSA-N 1 2 285.300 -1.464 20 0 CAADLO COC(=O)[C@H]1C[C@@H](O)C[N@H+]1CCCN1C(=O)CNC1=O ZINC001320783965 884448699 /nfs/dbraw/zinc/44/86/99/884448699.db2.gz YGANPCPVHHJTSP-RKDXNWHRSA-N 1 2 285.300 -1.464 20 0 CAADLO CNS(=O)(=O)CC(=O)NCCc1c[nH+]cn1C ZINC001320967681 884458595 /nfs/dbraw/zinc/45/85/95/884458595.db2.gz MXYFMPINUSWDDB-UHFFFAOYSA-N 1 2 260.319 -1.372 20 0 CAADLO CNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@]2(C1)NC(=O)NC2=O ZINC001320994581 884462471 /nfs/dbraw/zinc/46/24/71/884462471.db2.gz RJJUZDFKZHEDBQ-JVXZTZIISA-N 1 2 297.315 -1.496 20 0 CAADLO CNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@]2(C1)NC(=O)NC2=O ZINC001320994581 884462478 /nfs/dbraw/zinc/46/24/78/884462478.db2.gz RJJUZDFKZHEDBQ-JVXZTZIISA-N 1 2 297.315 -1.496 20 0 CAADLO C[C@H](NC(N)=O)C(=O)NC/C=C/C[NH2+]Cc1ncnn1C ZINC001321040038 884465130 /nfs/dbraw/zinc/46/51/30/884465130.db2.gz BASHWRVWWXALBC-NWALNABHSA-N 1 2 295.347 -1.366 20 0 CAADLO Cc1[nH+]c[nH]c1CC(=O)NCCN1C(=O)CNC1=O ZINC001321038101 884466134 /nfs/dbraw/zinc/46/61/34/884466134.db2.gz YHLLGBRLLBYLLL-UHFFFAOYSA-N 1 2 265.273 -1.071 20 0 CAADLO Cn1c[nH+]cc1CCC(=O)N[C@@H]1CN(C)NC1=O ZINC001321206399 884477741 /nfs/dbraw/zinc/47/77/41/884477741.db2.gz BXZUNZOHXFJSKC-SECBINFHSA-N 1 2 251.290 -1.186 20 0 CAADLO Cn1nnc(C(=O)NC/C=C/C[NH2+]Cc2ncnn2C)n1 ZINC001321199958 884477924 /nfs/dbraw/zinc/47/79/24/884477924.db2.gz KVUCNJBDECAUFN-ONEGZZNKSA-N 1 2 291.319 -1.586 20 0 CAADLO O=C(NCC=CC[NH2+]Cc1csnn1)[C@H]1CNC(=O)N1 ZINC001321224396 884481294 /nfs/dbraw/zinc/48/12/94/884481294.db2.gz ZKPMIQAKSOKDNN-JKERVTFKSA-N 1 2 296.356 -1.019 20 0 CAADLO C[C@H]1C[N@H+](CCNC(=O)CC[C@@H]2NC(=O)NC2=O)CCO1 ZINC001321372399 884489233 /nfs/dbraw/zinc/48/92/33/884489233.db2.gz NVJUZZLDLZMXTM-UWVGGRQHSA-N 1 2 298.343 -1.189 20 0 CAADLO C[C@H]1C[N@@H+](CCNC(=O)CC[C@@H]2NC(=O)NC2=O)CCO1 ZINC001321372399 884489243 /nfs/dbraw/zinc/48/92/43/884489243.db2.gz NVJUZZLDLZMXTM-UWVGGRQHSA-N 1 2 298.343 -1.189 20 0 CAADLO CS(=O)(=O)[C@@H]1CC[N@H+](CCN2C(=O)CNC2=O)C1 ZINC001321370420 884489262 /nfs/dbraw/zinc/48/92/62/884489262.db2.gz FQARSBUOZOBJIB-MRVPVSSYSA-N 1 2 275.330 -1.343 20 0 CAADLO CS(=O)(=O)[C@@H]1CC[N@@H+](CCN2C(=O)CNC2=O)C1 ZINC001321370420 884489265 /nfs/dbraw/zinc/48/92/65/884489265.db2.gz FQARSBUOZOBJIB-MRVPVSSYSA-N 1 2 275.330 -1.343 20 0 CAADLO C[C@H]1C[N@H+](CCNC(=O)CC[C@H]2NC(=O)NC2=O)CCO1 ZINC001321372401 884489686 /nfs/dbraw/zinc/48/96/86/884489686.db2.gz NVJUZZLDLZMXTM-VHSXEESVSA-N 1 2 298.343 -1.189 20 0 CAADLO C[C@H]1C[N@@H+](CCNC(=O)CC[C@H]2NC(=O)NC2=O)CCO1 ZINC001321372401 884489691 /nfs/dbraw/zinc/48/96/91/884489691.db2.gz NVJUZZLDLZMXTM-VHSXEESVSA-N 1 2 298.343 -1.189 20 0 CAADLO CNC(=O)CCCNC(=O)C(=O)NCCn1cc[nH+]c1 ZINC001321356545 884490370 /nfs/dbraw/zinc/49/03/70/884490370.db2.gz FJHAWFUGDGOVKL-UHFFFAOYSA-N 1 2 281.316 -1.358 20 0 CAADLO Cn1nnnc1C[NH2+]C/C=C\CNC(=O)CCNC(N)=O ZINC001321387238 884492944 /nfs/dbraw/zinc/49/29/44/884492944.db2.gz CWEHVJXUKZZCKJ-IHWYPQMZSA-N 1 2 296.335 -1.970 20 0 CAADLO CNC(=O)CCN(C)C(=O)C(=O)NCCCn1cc[nH+]c1 ZINC001321528463 884499721 /nfs/dbraw/zinc/49/97/21/884499721.db2.gz FGXQZHCQAVFWSU-UHFFFAOYSA-N 1 2 295.343 -1.016 20 0 CAADLO C[C@H](C[S@@](C)=O)NC(=O)C(=O)NCCn1cc[nH+]c1 ZINC001321581567 884502418 /nfs/dbraw/zinc/50/24/18/884502418.db2.gz HIOARPDIIKWHGY-AYLIAGHASA-N 1 2 286.357 -1.118 20 0 CAADLO CN1CC[C@H](NC(=O)C(=O)NCCn2cc[nH+]c2)C1=O ZINC001321582879 884503788 /nfs/dbraw/zinc/50/37/88/884503788.db2.gz SBBGESXKDVJHRP-VIFPVBQESA-N 1 2 279.300 -1.654 20 0 CAADLO C[C@@H](O)CN(C)C(=O)C(=O)NCCn1cc[nH+]c1 ZINC001321581268 884504205 /nfs/dbraw/zinc/50/42/05/884504205.db2.gz CJPPWZJOHUREDL-SECBINFHSA-N 1 2 254.290 -1.162 20 0 CAADLO C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)N[C@@H]1CCN(C)C1=O ZINC001321632098 884505803 /nfs/dbraw/zinc/50/58/03/884505803.db2.gz YBVKYCFHCBBPSK-NXEZZACHSA-N 1 2 293.327 -1.265 20 0 CAADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)NC[C@@H]1COCCO1 ZINC001321630515 884506590 /nfs/dbraw/zinc/50/65/90/884506590.db2.gz HTAGHDQMLUGGQS-WDEREUQCSA-N 1 2 296.327 -1.081 20 0 CAADLO CN(CC(=O)NCCc1[nH]cc[nH+]1)S(C)(=O)=O ZINC001321684246 884508947 /nfs/dbraw/zinc/50/89/47/884508947.db2.gz SAOMHIOIVZFZBV-UHFFFAOYSA-N 1 2 260.319 -1.040 20 0 CAADLO C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)NCCn1cncn1 ZINC001321689680 884509695 /nfs/dbraw/zinc/50/96/95/884509695.db2.gz PJCCPAHCWQPZEI-SNVBAGLBSA-N 1 2 291.315 -1.204 20 0 CAADLO C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)N(C)[C@@H]1CCNC1=O ZINC001321689669 884510953 /nfs/dbraw/zinc/51/09/53/884510953.db2.gz PGYDDKSCIJYIIQ-NXEZZACHSA-N 1 2 293.327 -1.265 20 0 CAADLO CNC(=O)CCN(C)C(=O)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC001321690211 884512088 /nfs/dbraw/zinc/51/20/88/884512088.db2.gz WHXHAYZTPYMKFG-SNVBAGLBSA-N 1 2 295.343 -1.018 20 0 CAADLO CNC(=O)CCCNC(=O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC001321728620 884512866 /nfs/dbraw/zinc/51/28/66/884512866.db2.gz SRPGWFPIDQQJEK-UHFFFAOYSA-N 1 2 296.371 -1.065 20 0 CAADLO CN1CC[C@H](NC(=O)C(=O)NCCCn2cc[nH+]c2)C1=O ZINC001321859950 884522600 /nfs/dbraw/zinc/52/26/00/884522600.db2.gz BZWVMPUAAJBKQV-JTQLQIEISA-N 1 2 293.327 -1.264 20 0 CAADLO COC(=O)NC1CN(C(=O)C(=O)NCCn2cc[nH+]c2)C1 ZINC001321907611 884527581 /nfs/dbraw/zinc/52/75/81/884527581.db2.gz HSYNZLMOHKTPST-UHFFFAOYSA-N 1 2 295.299 -1.434 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+](C)C[C@@H](C)NC(=O)c1cn[nH]n1 ZINC001322191082 884541185 /nfs/dbraw/zinc/54/11/85/884541185.db2.gz AAFFLJOLEOJWMC-HTQZYQBOSA-N 1 2 268.321 -1.011 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+](C)C[C@@H](C)NC(=O)c1cn[nH]n1 ZINC001322191082 884541195 /nfs/dbraw/zinc/54/11/95/884541195.db2.gz AAFFLJOLEOJWMC-HTQZYQBOSA-N 1 2 268.321 -1.011 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+](C)C[C@@H](C)NC(=O)c1cnn[nH]1 ZINC001322191082 884541205 /nfs/dbraw/zinc/54/12/05/884541205.db2.gz AAFFLJOLEOJWMC-HTQZYQBOSA-N 1 2 268.321 -1.011 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+](C)C[C@@H](C)NC(=O)c1cnn[nH]1 ZINC001322191082 884541219 /nfs/dbraw/zinc/54/12/19/884541219.db2.gz AAFFLJOLEOJWMC-HTQZYQBOSA-N 1 2 268.321 -1.011 20 0 CAADLO C[C@H](C[N@H+](C)[C@H]1CCNC1=O)NC(=O)c1cn[nH]n1 ZINC001322192244 884541342 /nfs/dbraw/zinc/54/13/42/884541342.db2.gz GGTUVEVCRBDLTR-APPZFPTMSA-N 1 2 266.305 -1.257 20 0 CAADLO C[C@H](C[N@@H+](C)[C@H]1CCNC1=O)NC(=O)c1cn[nH]n1 ZINC001322192244 884541359 /nfs/dbraw/zinc/54/13/59/884541359.db2.gz GGTUVEVCRBDLTR-APPZFPTMSA-N 1 2 266.305 -1.257 20 0 CAADLO C[C@H](C[N@H+](C)[C@H]1CCNC1=O)NC(=O)c1cnn[nH]1 ZINC001322192244 884541368 /nfs/dbraw/zinc/54/13/68/884541368.db2.gz GGTUVEVCRBDLTR-APPZFPTMSA-N 1 2 266.305 -1.257 20 0 CAADLO C[C@H](C[N@@H+](C)[C@H]1CCNC1=O)NC(=O)c1cnn[nH]1 ZINC001322192244 884541381 /nfs/dbraw/zinc/54/13/81/884541381.db2.gz GGTUVEVCRBDLTR-APPZFPTMSA-N 1 2 266.305 -1.257 20 0 CAADLO Cc1cc(NC(=O)C(=O)N[C@@H](C)C[N@H+](C)CC(N)=O)no1 ZINC001322300048 884546186 /nfs/dbraw/zinc/54/61/86/884546186.db2.gz YZJXABXEGLMNPL-ZETCQYMHSA-N 1 2 297.315 -1.157 20 0 CAADLO Cc1cc(NC(=O)C(=O)N[C@@H](C)C[N@@H+](C)CC(N)=O)no1 ZINC001322300048 884546198 /nfs/dbraw/zinc/54/61/98/884546198.db2.gz YZJXABXEGLMNPL-ZETCQYMHSA-N 1 2 297.315 -1.157 20 0 CAADLO O=C(NCCn1cncn1)C(=O)N1CC[NH+](C2CC2)CC1 ZINC001322558718 884561190 /nfs/dbraw/zinc/56/11/90/884561190.db2.gz IQRLUJYUOYCBLM-UHFFFAOYSA-N 1 2 292.343 -1.299 20 0 CAADLO CC[NH+]1CCN(C(=O)C(=O)NCc2nnc(C)n2C)CC1 ZINC001322573233 884563826 /nfs/dbraw/zinc/56/38/26/884563826.db2.gz CABIAWMVEWDABL-UHFFFAOYSA-N 1 2 294.359 -1.096 20 0 CAADLO Cc1nn[nH]c1C(=O)N(C)CCC[NH2+]Cc1nnnn1C ZINC001322636501 884565862 /nfs/dbraw/zinc/56/58/62/884565862.db2.gz KJQGJKBUQRCKCO-UHFFFAOYSA-N 1 2 293.335 -1.111 20 0 CAADLO NS(=O)(=O)[C@@H]1CC[N@@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001322600601 884566663 /nfs/dbraw/zinc/56/66/63/884566663.db2.gz MJJNHIKNNKQIQU-RQJHMYQMSA-N 1 2 261.303 -1.846 20 0 CAADLO NS(=O)(=O)[C@@H]1CC[N@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001322600601 884566677 /nfs/dbraw/zinc/56/66/77/884566677.db2.gz MJJNHIKNNKQIQU-RQJHMYQMSA-N 1 2 261.303 -1.846 20 0 CAADLO COC(=O)CNC(=O)CC[N@H+](C)Cc1nncn1C ZINC001322671773 884569185 /nfs/dbraw/zinc/56/91/85/884569185.db2.gz MMJLZYOGHWECCX-UHFFFAOYSA-N 1 2 269.305 -1.074 20 0 CAADLO COC(=O)CNC(=O)CC[N@@H+](C)Cc1nncn1C ZINC001322671773 884569199 /nfs/dbraw/zinc/56/91/99/884569199.db2.gz MMJLZYOGHWECCX-UHFFFAOYSA-N 1 2 269.305 -1.074 20 0 CAADLO CN(CCC[NH2+]Cc1nnn(C)n1)C(=O)C(N)=O ZINC001322672706 884571688 /nfs/dbraw/zinc/57/16/88/884571688.db2.gz JVUXSXOELJHGMH-UHFFFAOYSA-N 1 2 255.282 -2.367 20 0 CAADLO C[C@H](C(=O)N1CC[C@@H](C(N)=O)C1)[NH+]1CCN(C)CC1 ZINC001322771572 884578628 /nfs/dbraw/zinc/57/86/28/884578628.db2.gz VDGRMKRFHKBAJF-GHMZBOCLSA-N 1 2 268.361 -1.044 20 0 CAADLO O=C(CNC(=O)C(=O)NCCn1cc[nH+]c1)NCC1CC1 ZINC001322897181 884586454 /nfs/dbraw/zinc/58/64/54/884586454.db2.gz VUMSJXIWKBTUBD-UHFFFAOYSA-N 1 2 293.327 -1.358 20 0 CAADLO O=C(NCCn1cc[nH+]c1)C(=O)N1CCn2cnnc2C1 ZINC001322896570 884587370 /nfs/dbraw/zinc/58/73/70/884587370.db2.gz HAJHEPXCDBWXSE-UHFFFAOYSA-N 1 2 289.299 -1.367 20 0 CAADLO O=C(NCCn1cc[nH+]c1)C(=O)NCCn1cncn1 ZINC001322896941 884587424 /nfs/dbraw/zinc/58/74/24/884587424.db2.gz RADQQBTUSPZOBZ-UHFFFAOYSA-N 1 2 277.288 -1.593 20 0 CAADLO NC(=O)CC(=O)NC[C@H]1CC[N@@H+]1CC(=O)N1CCOCC1 ZINC001323209612 884601095 /nfs/dbraw/zinc/60/10/95/884601095.db2.gz GKWQTAXRXVUFOJ-SNVBAGLBSA-N 1 2 298.343 -2.089 20 0 CAADLO NC(=O)CC(=O)NC[C@H]1CC[N@H+]1CC(=O)N1CCOCC1 ZINC001323209612 884601104 /nfs/dbraw/zinc/60/11/04/884601104.db2.gz GKWQTAXRXVUFOJ-SNVBAGLBSA-N 1 2 298.343 -2.089 20 0 CAADLO O=C(C[C@@H]1NC(=O)NC1=O)NC[C@@H]1CC[N@H+]1CCF ZINC001323245227 884607191 /nfs/dbraw/zinc/60/71/91/884607191.db2.gz DEIVSTKBKHMJBM-YUMQZZPRSA-N 1 2 272.280 -1.256 20 0 CAADLO O=C(C[C@@H]1NC(=O)NC1=O)NC[C@@H]1CC[N@@H+]1CCF ZINC001323245227 884607200 /nfs/dbraw/zinc/60/72/00/884607200.db2.gz DEIVSTKBKHMJBM-YUMQZZPRSA-N 1 2 272.280 -1.256 20 0 CAADLO O=C(NC[C@@H]1CC[N@H+]1CCOCCO)c1nnc[nH]1 ZINC001323323171 884610891 /nfs/dbraw/zinc/61/08/91/884610891.db2.gz GWZHAVLOSUCBQQ-VIFPVBQESA-N 1 2 269.305 -1.382 20 0 CAADLO C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)N[C@@H]1CC(=O)N(C)C1 ZINC001323298842 884609683 /nfs/dbraw/zinc/60/96/83/884609683.db2.gz QNVUFZYDXDOGCA-NXEZZACHSA-N 1 2 293.327 -1.265 20 0 CAADLO O=C(NC[C@@H]1CC[N@@H+]1CCOCCO)c1nnc[nH]1 ZINC001323323171 884610896 /nfs/dbraw/zinc/61/08/96/884610896.db2.gz GWZHAVLOSUCBQQ-VIFPVBQESA-N 1 2 269.305 -1.382 20 0 CAADLO C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)N[C@H]1CC(=O)N(C)C1 ZINC001323298845 884610141 /nfs/dbraw/zinc/61/01/41/884610141.db2.gz QNVUFZYDXDOGCA-ZJUUUORDSA-N 1 2 293.327 -1.265 20 0 CAADLO C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)N1CCNC(=O)CC1 ZINC001323297321 884610355 /nfs/dbraw/zinc/61/03/55/884610355.db2.gz BTYMKJHTVQRFAH-SNVBAGLBSA-N 1 2 293.327 -1.264 20 0 CAADLO CN1CC[C@@H]([N@@H+]2CC[C@@H]2CNC(=O)C2(C(N)=O)CC2)C1=O ZINC001323293053 884610718 /nfs/dbraw/zinc/61/07/18/884610718.db2.gz JZEDGHDUQCSTOS-NXEZZACHSA-N 1 2 294.355 -1.327 20 0 CAADLO CN1CC[C@@H]([N@H+]2CC[C@@H]2CNC(=O)C2(C(N)=O)CC2)C1=O ZINC001323293053 884610722 /nfs/dbraw/zinc/61/07/22/884610722.db2.gz JZEDGHDUQCSTOS-NXEZZACHSA-N 1 2 294.355 -1.327 20 0 CAADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)N[C@H]1CC(=O)N(C)C1 ZINC001323298843 884611375 /nfs/dbraw/zinc/61/13/75/884611375.db2.gz QNVUFZYDXDOGCA-UWVGGRQHSA-N 1 2 293.327 -1.265 20 0 CAADLO Cn1c[nH+]cc1CN1CC[C@@H]1CNC(=O)C(N)=O ZINC001323293135 884611387 /nfs/dbraw/zinc/61/13/87/884611387.db2.gz KKBLBSWYVGREJV-MRVPVSSYSA-N 1 2 251.290 -1.404 20 0 CAADLO CN1C[C@@H](NC(=O)C(=O)N2CC[NH+](C3CC3)CC2)CC1=O ZINC001323296383 884611497 /nfs/dbraw/zinc/61/14/97/884611497.db2.gz SDVPOFFXBDXXJD-JTQLQIEISA-N 1 2 294.355 -1.360 20 0 CAADLO CC(=O)NCC(=O)NCC(=O)OCCn1cc[nH+]c1 ZINC001323376049 884613453 /nfs/dbraw/zinc/61/34/53/884613453.db2.gz PETLVCUESJCHGL-UHFFFAOYSA-N 1 2 268.273 -1.321 20 0 CAADLO CN(C)C(=O)CN1CC[NH+](CCN2C(=O)CCC2=O)CC1 ZINC001323337038 884615150 /nfs/dbraw/zinc/61/51/50/884615150.db2.gz KFCHFVLFTAXVII-UHFFFAOYSA-N 1 2 296.371 -1.159 20 0 CAADLO CN(C)C(=O)C[NH+]1CCN(CCN2C(=O)CCC2=O)CC1 ZINC001323337038 884615159 /nfs/dbraw/zinc/61/51/59/884615159.db2.gz KFCHFVLFTAXVII-UHFFFAOYSA-N 1 2 296.371 -1.159 20 0 CAADLO CNC(=O)[C@H]1C[N@H+](CCN2CCOCC2)CCO1 ZINC001323655931 884628214 /nfs/dbraw/zinc/62/82/14/884628214.db2.gz MYGCCWDKKFSHCW-LLVKDONJSA-N 1 2 257.334 -1.235 20 0 CAADLO CNC(=O)[C@H]1C[N@@H+](CCN2CCOCC2)CCO1 ZINC001323655931 884628222 /nfs/dbraw/zinc/62/82/22/884628222.db2.gz MYGCCWDKKFSHCW-LLVKDONJSA-N 1 2 257.334 -1.235 20 0 CAADLO CNC(=O)[C@H]1CN(CC[NH+]2CCOCC2)CCO1 ZINC001323655931 884628227 /nfs/dbraw/zinc/62/82/27/884628227.db2.gz MYGCCWDKKFSHCW-LLVKDONJSA-N 1 2 257.334 -1.235 20 0 CAADLO Cn1c[nH+]cc1CC(=O)N[C@H]1CCC(=O)NC1=O ZINC001323721769 884633670 /nfs/dbraw/zinc/63/36/70/884633670.db2.gz ADFIWOVQYXGEGI-QMMMGPOBSA-N 1 2 250.258 -1.116 20 0 CAADLO C[N@H+](CCS(=O)(=O)CCC(N)=O)C1CC(O)C1 ZINC001323864353 884636440 /nfs/dbraw/zinc/63/64/40/884636440.db2.gz VNELIZBTVHPMKV-UHFFFAOYSA-N 1 2 264.347 -1.268 20 0 CAADLO C[N@@H+](CCS(=O)(=O)CCC(N)=O)C1CC(O)C1 ZINC001323864353 884636446 /nfs/dbraw/zinc/63/64/46/884636446.db2.gz VNELIZBTVHPMKV-UHFFFAOYSA-N 1 2 264.347 -1.268 20 0 CAADLO C[C@H](C(=O)N(C)C1C[NH+](CCOCCO)C1)n1cncn1 ZINC001323910525 884640662 /nfs/dbraw/zinc/64/06/62/884640662.db2.gz UXOMCYXSGLVKBF-LLVKDONJSA-N 1 2 297.359 -1.009 20 0 CAADLO CN(C(=O)CCn1cncn1)C1C[NH+](CCOCCO)C1 ZINC001323887896 884641157 /nfs/dbraw/zinc/64/11/57/884641157.db2.gz XNXASKUDTOHSIU-UHFFFAOYSA-N 1 2 297.359 -1.180 20 0 CAADLO O=C(Nc1cncnc1)C(=O)N1CC[NH+](CCO)CC1 ZINC001323999354 884643563 /nfs/dbraw/zinc/64/35/63/884643563.db2.gz HJWGXAPSINVMGV-UHFFFAOYSA-N 1 2 279.300 -1.448 20 0 CAADLO CN(C(=O)[C@]1(C)CCC(=O)N1)C1C[NH+](CCOCCO)C1 ZINC001323977589 884644825 /nfs/dbraw/zinc/64/48/25/884644825.db2.gz AABYZMFJSVFPPT-AWEZNQCLSA-N 1 2 299.371 -1.193 20 0 CAADLO O=C(Cn1cc[nH+]c1)NCCN1C(=O)CNC1=O ZINC001324041059 884647288 /nfs/dbraw/zinc/64/72/88/884647288.db2.gz CHIOPDULXBCLKA-UHFFFAOYSA-N 1 2 251.246 -1.449 20 0 CAADLO O=C(Cn1cc[nH+]c1)NCCCN1C(=O)CNC1=O ZINC001324037107 884648000 /nfs/dbraw/zinc/64/80/00/884648000.db2.gz MXOZTDIOZYGURS-UHFFFAOYSA-N 1 2 265.273 -1.059 20 0 CAADLO CS(=O)(=O)NCCNC(=O)N1CCn2c[nH+]cc2C1 ZINC001324008173 884648184 /nfs/dbraw/zinc/64/81/84/884648184.db2.gz ITBKXXXFHCTANY-UHFFFAOYSA-N 1 2 287.345 -1.043 20 0 CAADLO C[C@H](O)C[NH+]1CCN(C(=O)c2cn(C)nn2)CC1 ZINC001324100387 884651072 /nfs/dbraw/zinc/65/10/72/884651072.db2.gz MOXHMLYZOKRYLZ-VIFPVBQESA-N 1 2 253.306 -1.046 20 0 CAADLO CN1C(=O)C(=O)N(C[N@@H+]2CC[C@H](n3cncn3)C2)C1=O ZINC001324194642 884655251 /nfs/dbraw/zinc/65/52/51/884655251.db2.gz LAYCWHVCCADSKX-QMMMGPOBSA-N 1 2 278.272 -1.097 20 0 CAADLO CN1C(=O)C(=O)N(C[N@H+]2CC[C@H](n3cncn3)C2)C1=O ZINC001324194642 884655256 /nfs/dbraw/zinc/65/52/56/884655256.db2.gz LAYCWHVCCADSKX-QMMMGPOBSA-N 1 2 278.272 -1.097 20 0 CAADLO CNC(=O)CNC(=O)[C@H](c1c[nH+]cn1C)N(C)C ZINC001324353670 884663699 /nfs/dbraw/zinc/66/36/99/884663699.db2.gz ZQRASMWJTWNYTL-JTQLQIEISA-N 1 2 253.306 -1.115 20 0 CAADLO CNC(=O)CNC(=O)[C@@H](c1c[nH+]cn1C)N(C)C ZINC001324353672 884665183 /nfs/dbraw/zinc/66/51/83/884665183.db2.gz ZQRASMWJTWNYTL-SNVBAGLBSA-N 1 2 253.306 -1.115 20 0 CAADLO Cn1[nH]c(C[NH+]2CCC(C)(NC(=O)C(N)=O)CC2)nc1=O ZINC001324330153 884665301 /nfs/dbraw/zinc/66/53/01/884665301.db2.gz XSTFVOGQIZPROX-UHFFFAOYSA-N 1 2 296.331 -1.936 20 0 CAADLO Cn1[nH]c([C@@H]2CCC[N@@H+]2CCN2C(=O)CNC2=O)nc1=N ZINC001324445412 884671574 /nfs/dbraw/zinc/67/15/74/884671574.db2.gz YKHASUBFPFTEHN-QMMMGPOBSA-N 1 2 293.331 -1.084 20 0 CAADLO Cn1[nH]c([C@@H]2CCC[N@H+]2CCN2C(=O)CNC2=O)nc1=N ZINC001324445412 884671581 /nfs/dbraw/zinc/67/15/81/884671581.db2.gz YKHASUBFPFTEHN-QMMMGPOBSA-N 1 2 293.331 -1.084 20 0 CAADLO COCC(=O)NCC1(O)C[NH+](C[C@H](O)COC)C1 ZINC001325169827 884715444 /nfs/dbraw/zinc/71/54/44/884715444.db2.gz WJUDWOXCIHFNIY-VIFPVBQESA-N 1 2 262.306 -2.197 20 0 CAADLO Cn1c(C[N@H+](C)[C@H]2CCNC2=O)cc(=O)n(C)c1=O ZINC001324480937 884675091 /nfs/dbraw/zinc/67/50/91/884675091.db2.gz YBLDBQAVRXKDGA-VIFPVBQESA-N 1 2 266.301 -1.596 20 0 CAADLO Cn1c(C[N@@H+](C)[C@H]2CCNC2=O)cc(=O)n(C)c1=O ZINC001324480937 884675102 /nfs/dbraw/zinc/67/51/02/884675102.db2.gz YBLDBQAVRXKDGA-VIFPVBQESA-N 1 2 266.301 -1.596 20 0 CAADLO C[C@@H](C(N)=O)N1CC[N@@H+]([C@@H](C)C(N)=O)CC(O)C1 ZINC001324467118 884675173 /nfs/dbraw/zinc/67/51/73/884675173.db2.gz OTGWAOXYIQCTCV-YUMQZZPRSA-N 1 2 258.322 -2.288 20 0 CAADLO C[C@@H](C(N)=O)N1CC[N@H+]([C@@H](C)C(N)=O)CC(O)C1 ZINC001324467118 884675180 /nfs/dbraw/zinc/67/51/80/884675180.db2.gz OTGWAOXYIQCTCV-YUMQZZPRSA-N 1 2 258.322 -2.288 20 0 CAADLO C[C@@]1(NC(=O)C(=O)NCC(F)F)CC[N@H+](CC(N)=O)C1 ZINC001324628580 884681267 /nfs/dbraw/zinc/68/12/67/884681267.db2.gz MQSOLYDSNBHDRF-LLVKDONJSA-N 1 2 292.286 -1.566 20 0 CAADLO C[C@@]1(NC(=O)C(=O)NCC(F)F)CC[N@@H+](CC(N)=O)C1 ZINC001324628580 884681277 /nfs/dbraw/zinc/68/12/77/884681277.db2.gz MQSOLYDSNBHDRF-LLVKDONJSA-N 1 2 292.286 -1.566 20 0 CAADLO O=C1CC[C@@H](C[N@@H+]2CCN3C(=O)C(=O)NC[C@H]3C2)O1 ZINC001324630242 884681860 /nfs/dbraw/zinc/68/18/60/884681860.db2.gz KSAHJHQBKOJISC-IUCAKERBSA-N 1 2 267.285 -1.665 20 0 CAADLO O=C1CC[C@@H](C[N@H+]2CCN3C(=O)C(=O)NC[C@H]3C2)O1 ZINC001324630242 884681869 /nfs/dbraw/zinc/68/18/69/884681869.db2.gz KSAHJHQBKOJISC-IUCAKERBSA-N 1 2 267.285 -1.665 20 0 CAADLO O=C(NCc1n[nH]c(=O)[nH]1)[C@H]1C[N@@H+]2CCN1CCC2 ZINC001324604570 884682471 /nfs/dbraw/zinc/68/24/71/884682471.db2.gz LGBLCFQADQKEER-MRVPVSSYSA-N 1 2 266.305 -1.484 20 0 CAADLO O=C(NCc1n[nH]c(=O)[nH]1)[C@H]1C[N@H+]2CCN1CCC2 ZINC001324604570 884682479 /nfs/dbraw/zinc/68/24/79/884682479.db2.gz LGBLCFQADQKEER-MRVPVSSYSA-N 1 2 266.305 -1.484 20 0 CAADLO O=C1NC(=O)[C@]2(CCC[N@@H+]([C@@H]3CCOC3=O)C2)N1 ZINC001324884159 884693205 /nfs/dbraw/zinc/69/32/05/884693205.db2.gz LACXTGMCIBZTMV-RDDDGLTNSA-N 1 2 253.258 -1.024 20 0 CAADLO O=C1NC(=O)[C@]2(CCC[N@H+]([C@@H]3CCOC3=O)C2)N1 ZINC001324884159 884693216 /nfs/dbraw/zinc/69/32/16/884693216.db2.gz LACXTGMCIBZTMV-RDDDGLTNSA-N 1 2 253.258 -1.024 20 0 CAADLO COC(=O)[C@@H]1CN(C(=O)C(=O)N2CC[NH+](C)CC2)CCO1 ZINC001324879953 884693377 /nfs/dbraw/zinc/69/33/77/884693377.db2.gz DFJDTRJOZIEVPO-JTQLQIEISA-N 1 2 299.327 -1.839 20 0 CAADLO O=C1NC(=O)[C@@]2(CCC[N@@H+]([C@@H]3CCOC3=O)C2)N1 ZINC001324884158 884694872 /nfs/dbraw/zinc/69/48/72/884694872.db2.gz LACXTGMCIBZTMV-HQJQHLMTSA-N 1 2 253.258 -1.024 20 0 CAADLO O=C1NC(=O)[C@@]2(CCC[N@H+]([C@@H]3CCOC3=O)C2)N1 ZINC001324884158 884694880 /nfs/dbraw/zinc/69/48/80/884694880.db2.gz LACXTGMCIBZTMV-HQJQHLMTSA-N 1 2 253.258 -1.024 20 0 CAADLO Cc1nc(NC(=O)C(=O)N2CC[NH+](CCO)CC2)nn1C ZINC001324953525 884697259 /nfs/dbraw/zinc/69/72/59/884697259.db2.gz SAOLCOSIXZKBSJ-UHFFFAOYSA-N 1 2 296.331 -1.801 20 0 CAADLO NC(=O)CC(=O)NC[C@@]1(O)CC[N@H+](Cc2ccon2)C1 ZINC001325086554 884706789 /nfs/dbraw/zinc/70/67/89/884706789.db2.gz QHLULTKSTGSHSZ-LBPRGKRZSA-N 1 2 282.300 -1.397 20 0 CAADLO NC(=O)CC(=O)NC[C@@]1(O)CC[N@@H+](Cc2ccon2)C1 ZINC001325086554 884706799 /nfs/dbraw/zinc/70/67/99/884706799.db2.gz QHLULTKSTGSHSZ-LBPRGKRZSA-N 1 2 282.300 -1.397 20 0 CAADLO Cc1ccnc(C[N@@H+]2CC[C@](O)(CNC(=O)C(N)=O)C2)n1 ZINC001325126098 884709084 /nfs/dbraw/zinc/70/90/84/884709084.db2.gz LDUODAZXDQJDEA-ZDUSSCGKSA-N 1 2 293.327 -1.677 20 0 CAADLO Cc1ccnc(C[N@H+]2CC[C@](O)(CNC(=O)C(N)=O)C2)n1 ZINC001325126098 884709100 /nfs/dbraw/zinc/70/91/00/884709100.db2.gz LDUODAZXDQJDEA-ZDUSSCGKSA-N 1 2 293.327 -1.677 20 0 CAADLO Cc1nnc([C@H](C)[N@@H+]2CC[C@@](O)(CNC(=O)C(N)=O)C2)o1 ZINC001325126496 884709548 /nfs/dbraw/zinc/70/95/48/884709548.db2.gz PBKYQEDQQCPEAX-JVXZTZIISA-N 1 2 297.315 -1.523 20 0 CAADLO Cc1nnc([C@H](C)[N@H+]2CC[C@@](O)(CNC(=O)C(N)=O)C2)o1 ZINC001325126496 884709557 /nfs/dbraw/zinc/70/95/57/884709557.db2.gz PBKYQEDQQCPEAX-JVXZTZIISA-N 1 2 297.315 -1.523 20 0 CAADLO O=C(NC[C@@]1(O)CC[N@H+](CCF)C1)c1ncn[nH]1 ZINC001325141945 884714054 /nfs/dbraw/zinc/71/40/54/884714054.db2.gz QVGDTBHCZBISBW-JTQLQIEISA-N 1 2 257.269 -1.059 20 0 CAADLO O=C(NC[C@@]1(O)CC[N@H+](CCF)C1)c1nnc[nH]1 ZINC001325141945 884714039 /nfs/dbraw/zinc/71/40/39/884714039.db2.gz QVGDTBHCZBISBW-JTQLQIEISA-N 1 2 257.269 -1.059 20 0 CAADLO O=C(NC[C@@]1(O)CC[N@@H+](CCF)C1)c1nnc[nH]1 ZINC001325141945 884714047 /nfs/dbraw/zinc/71/40/47/884714047.db2.gz QVGDTBHCZBISBW-JTQLQIEISA-N 1 2 257.269 -1.059 20 0 CAADLO C[C@@H](O)C[NH+]1CC(O)(CNC(=O)Cc2cc[nH]n2)C1 ZINC001325197868 884717127 /nfs/dbraw/zinc/71/71/27/884717127.db2.gz APGMCOROLJJVSU-SECBINFHSA-N 1 2 268.317 -1.504 20 0 CAADLO C[C@@H](O)C[NH+]1CC(O)(CNC(=O)c2cn[nH]c2)C1 ZINC001325186434 884717526 /nfs/dbraw/zinc/71/75/26/884717526.db2.gz XHINVAFPNWRLGQ-MRVPVSSYSA-N 1 2 254.290 -1.433 20 0 CAADLO C[C@H](O)C[NH+]1CC(O)(CNC(=O)c2cn[nH]c2)C1 ZINC001325186435 884719167 /nfs/dbraw/zinc/71/91/67/884719167.db2.gz XHINVAFPNWRLGQ-QMMMGPOBSA-N 1 2 254.290 -1.433 20 0 CAADLO Cc1ncc(C(=O)NCC2(O)C[NH+](C[C@@H](C)O)C2)[nH]1 ZINC001325188442 884719697 /nfs/dbraw/zinc/71/96/97/884719697.db2.gz BPOGRHSIWYGHHE-MRVPVSSYSA-N 1 2 268.317 -1.125 20 0 CAADLO CC[NH+]1CC(O)(CNC(=O)[C@H](C)N2C(=O)CCC2=O)C1 ZINC001325216766 884720466 /nfs/dbraw/zinc/72/04/66/884720466.db2.gz HDMUKUDAXGHSCV-VIFPVBQESA-N 1 2 283.328 -1.293 20 0 CAADLO C[C@@H](O)CCC[NH+]1CC(O)(CNC(=O)[C@H]2CCNC2=O)C1 ZINC001325245383 884720848 /nfs/dbraw/zinc/72/08/48/884720848.db2.gz AVXGIPBOEFOLBF-MNOVXSKESA-N 1 2 299.371 -1.554 20 0 CAADLO CCOCC[NH+]1CC(O)(CNC(=O)[C@@H]2CC(=O)N(C)C2)C1 ZINC001325216879 884721191 /nfs/dbraw/zinc/72/11/91/884721191.db2.gz JOAWAKUPGLJUDJ-LLVKDONJSA-N 1 2 299.371 -1.336 20 0 CAADLO C[C@H](O)C[NH+]1CC(O)(CNC(=O)C(=O)NCC(F)F)C1 ZINC001325233067 884721514 /nfs/dbraw/zinc/72/15/14/884721514.db2.gz JVSNKWMKIRWMLI-ZETCQYMHSA-N 1 2 295.286 -2.089 20 0 CAADLO O=C(NCC(F)F)C(=O)NCC1(O)C[NH+](CCCF)C1 ZINC001325234004 884722854 /nfs/dbraw/zinc/72/28/54/884722854.db2.gz MFKBSHFENIDQAB-UHFFFAOYSA-N 1 2 297.277 -1.110 20 0 CAADLO C[C@H](O)CCC[NH+]1CC(O)(CNC(=O)[C@@H]2CCNC2=O)C1 ZINC001325245385 884723135 /nfs/dbraw/zinc/72/31/35/884723135.db2.gz AVXGIPBOEFOLBF-WDEREUQCSA-N 1 2 299.371 -1.554 20 0 CAADLO CC[NH+]1CC(O)(CNC(=O)CCn2cnnn2)C1 ZINC001325292976 884724326 /nfs/dbraw/zinc/72/43/26/884724326.db2.gz BDAWGEADOBLLNQ-UHFFFAOYSA-N 1 2 254.294 -1.754 20 0 CAADLO CN1C[C@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)C(=O)N1 ZINC001325346460 884728194 /nfs/dbraw/zinc/72/81/94/884728194.db2.gz QAFKDTUHULEKAN-IUCAKERBSA-N 1 2 263.301 -1.093 20 0 CAADLO CN1C[C@@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)C(=O)N1 ZINC001325346459 884729991 /nfs/dbraw/zinc/72/99/91/884729991.db2.gz QAFKDTUHULEKAN-DTWKUNHWSA-N 1 2 263.301 -1.093 20 0 CAADLO C[NH+]1CCN(C(=O)C(=O)N2CC(C(C)(C)O)C2)CC1 ZINC001325420963 884732557 /nfs/dbraw/zinc/73/25/57/884732557.db2.gz SHAJVQIUBKRJHJ-UHFFFAOYSA-N 1 2 269.345 -1.010 20 0 CAADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)NCCC(=O)N(C)C ZINC001325676050 884735228 /nfs/dbraw/zinc/73/52/28/884735228.db2.gz BVVWTMSGLOJLNJ-JTQLQIEISA-N 1 2 295.343 -1.018 20 0 CAADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)NCc1nnn(C)n1 ZINC001325677359 884739992 /nfs/dbraw/zinc/73/99/92/884739992.db2.gz KDKVQLTVUPAACP-QMMMGPOBSA-N 1 2 292.303 -1.772 20 0 CAADLO Cn1c[nH+]cc1CC(=O)NCC(=O)N1CCOCC1 ZINC001325808907 884742990 /nfs/dbraw/zinc/74/29/90/884742990.db2.gz YRUUMXWUMFMVCB-UHFFFAOYSA-N 1 2 266.301 -1.062 20 0 CAADLO COC(=O)CNC(=O)C[N@@H+]1CC[C@@H](n2cncn2)C1 ZINC001325834718 884745408 /nfs/dbraw/zinc/74/54/08/884745408.db2.gz LOYVKUHDJMNHKW-SECBINFHSA-N 1 2 267.289 -1.186 20 0 CAADLO COC(=O)CNC(=O)C[N@H+]1CC[C@@H](n2cncn2)C1 ZINC001325834718 884745419 /nfs/dbraw/zinc/74/54/19/884745419.db2.gz LOYVKUHDJMNHKW-SECBINFHSA-N 1 2 267.289 -1.186 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+]1CCC[C@](CO)(NC(=O)C(N)=O)C1 ZINC001325848626 884747186 /nfs/dbraw/zinc/74/71/86/884747186.db2.gz PNIVGPJJAWOUGC-PELKAZGASA-N 1 2 286.332 -2.451 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+]1CCC[C@@](CO)(NC(=O)C(N)=O)C1 ZINC001325848644 884747887 /nfs/dbraw/zinc/74/78/87/884747887.db2.gz PNIVGPJJAWOUGC-QPUJVOFHSA-N 1 2 286.332 -2.451 20 0 CAADLO CNC(=O)[C@H](C)[N@H+]1CCC[C@@](CO)(NC(=O)C(N)=O)C1 ZINC001325848644 884747898 /nfs/dbraw/zinc/74/78/98/884747898.db2.gz PNIVGPJJAWOUGC-QPUJVOFHSA-N 1 2 286.332 -2.451 20 0 CAADLO NS(=O)(=O)C1(C(=O)NCCn2cc[nH+]c2)CC1 ZINC001326477969 884798294 /nfs/dbraw/zinc/79/82/94/884798294.db2.gz MOWXGQYXPLAMFA-UHFFFAOYSA-N 1 2 258.303 -1.180 20 0 CAADLO NC(=O)CC(=O)N(CCO)CC[NH2+]Cc1ncccn1 ZINC001325997039 884754783 /nfs/dbraw/zinc/75/47/83/884754783.db2.gz BFVYNPJMAATJOG-UHFFFAOYSA-N 1 2 281.316 -1.738 20 0 CAADLO [NH3+][C@@H]1CCN(C(=O)Cn2[nH]cc3c(=O)ncnc2-3)C1 ZINC001326038941 884758950 /nfs/dbraw/zinc/75/89/50/884758950.db2.gz UJILLIBYQQNTJK-SSDOTTSWSA-N 1 2 262.273 -1.369 20 0 CAADLO O=C(c1cn[nH]n1)N(CCO)CC[NH2+]Cc1csnn1 ZINC001326053833 884762465 /nfs/dbraw/zinc/76/24/65/884762465.db2.gz ZHYXNJZJUDOGRU-UHFFFAOYSA-N 1 2 297.344 -1.120 20 0 CAADLO NC(=O)C1=NO[C@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001326072561 884765812 /nfs/dbraw/zinc/76/58/12/884765812.db2.gz XXLWTTKOWDJABG-ZETCQYMHSA-N 1 2 251.246 -1.371 20 0 CAADLO Cc1cc(C[NH2+]CCN(CCO)C(=O)C(N)=O)no1 ZINC001326086078 884767887 /nfs/dbraw/zinc/76/78/87/884767887.db2.gz NIJLJKAWTUEBLN-UHFFFAOYSA-N 1 2 270.289 -1.621 20 0 CAADLO CN(CC[NH3+])C(=O)Cn1[nH]cc2c(=O)ncnc1-2 ZINC001326164308 884772819 /nfs/dbraw/zinc/77/28/19/884772819.db2.gz CYRLAHMUXMZERV-UHFFFAOYSA-N 1 2 250.262 -1.512 20 0 CAADLO COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)c1cn[nH]n1 ZINC001326205434 884772865 /nfs/dbraw/zinc/77/28/65/884772865.db2.gz XOQLJNVUCYGYLY-QMMMGPOBSA-N 1 2 264.245 -1.027 20 0 CAADLO [NH3+]CC(=O)NCC(=O)N[C@H]1CCCc2cn[nH]c21 ZINC001326341024 884783896 /nfs/dbraw/zinc/78/38/96/884783896.db2.gz QEZJQEUBXKALTI-QMMMGPOBSA-N 1 2 251.290 -1.022 20 0 CAADLO NC(=O)NC(=O)C[N@@H+]1CC[C@@H]2COC(=O)N[C@H]2C1 ZINC001326339779 884784760 /nfs/dbraw/zinc/78/47/60/884784760.db2.gz DEIJOPCIHHLICY-RQJHMYQMSA-N 1 2 256.262 -1.388 20 0 CAADLO NC(=O)NC(=O)C[N@H+]1CC[C@@H]2COC(=O)N[C@H]2C1 ZINC001326339779 884784777 /nfs/dbraw/zinc/78/47/77/884784777.db2.gz DEIJOPCIHHLICY-RQJHMYQMSA-N 1 2 256.262 -1.388 20 0 CAADLO C[N@@H+]1CCO[C@@H](C(=O)Nc2nnc3[nH]cnn23)C1 ZINC001326397910 884792997 /nfs/dbraw/zinc/79/29/97/884792997.db2.gz PMSPCJRAGREHKN-ZCFIWIBFSA-N 1 2 251.250 -1.279 20 0 CAADLO C[N@H+]1CCO[C@@H](C(=O)Nc2nnc3[nH]cnn23)C1 ZINC001326397910 884793010 /nfs/dbraw/zinc/79/30/10/884793010.db2.gz PMSPCJRAGREHKN-ZCFIWIBFSA-N 1 2 251.250 -1.279 20 0 CAADLO NC(=O)C[C@H]1COCCN1C(=O)Cn1cc[nH+]c1 ZINC001326554360 884808327 /nfs/dbraw/zinc/80/83/27/884808327.db2.gz XYOSMVNKZUQWIN-VIFPVBQESA-N 1 2 252.274 -1.014 20 0 CAADLO CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC1CC1 ZINC001326582083 884810856 /nfs/dbraw/zinc/81/08/56/884810856.db2.gz JIWNSCNNISCWHC-VIFPVBQESA-N 1 2 269.301 -1.372 20 0 CAADLO COC(=O)Cn1cc(C[NH2+][C@H]2CCC(=O)N(C)C2=O)nn1 ZINC001326637825 884819280 /nfs/dbraw/zinc/81/92/80/884819280.db2.gz RMIPLRDDNYHXKK-VIFPVBQESA-N 1 2 295.299 -1.312 20 0 CAADLO O=C(Cn1cc[nH+]c1)N1CC[C@@H]2OCC(=O)N[C@H]2C1 ZINC001326809575 884834966 /nfs/dbraw/zinc/83/49/66/884834966.db2.gz BUUSVZRCEAIKQB-UWVGGRQHSA-N 1 2 264.285 -1.001 20 0 CAADLO O=C(C[C@@H]1COCC[NH2+]1)NCCCc1n[nH]c(=O)[nH]1 ZINC001326805120 884836299 /nfs/dbraw/zinc/83/62/99/884836299.db2.gz FGXSQMHLVZUUJX-MRVPVSSYSA-N 1 2 269.305 -1.062 20 0 CAADLO COC(=O)CNC(=O)CNC(=O)Cc1c[nH+]cn1C ZINC001327098177 884863129 /nfs/dbraw/zinc/86/31/29/884863129.db2.gz WWCMABCFXXVSHP-UHFFFAOYSA-N 1 2 268.273 -1.632 20 0 CAADLO C[S@](=O)CCNC(=O)C(=O)NCCn1cc[nH+]c1 ZINC001327313190 884879017 /nfs/dbraw/zinc/87/90/17/884879017.db2.gz OLAYHGIUZLFHAP-SFHVURJKSA-N 1 2 272.330 -1.506 20 0 CAADLO C[C@H](O)C[NH+]1CC2(C1)C[C@@H](NC(=O)C(C)(C)C(N)=O)CO2 ZINC001327397958 884882808 /nfs/dbraw/zinc/88/28/08/884882808.db2.gz YKBFBZMBDZWWMW-VHSXEESVSA-N 1 2 299.371 -1.162 20 0 CAADLO C[C@@H](O)C[NH+]1CC2(C1)C[C@@H](NC(=O)C(C)(C)C(N)=O)CO2 ZINC001327397955 884883827 /nfs/dbraw/zinc/88/38/27/884883827.db2.gz YKBFBZMBDZWWMW-NXEZZACHSA-N 1 2 299.371 -1.162 20 0 CAADLO NC(=O)C1(C(=O)N[C@@H]2COC3(C[NH+](CCO)C3)C2)CC1 ZINC001327408120 884886400 /nfs/dbraw/zinc/88/64/00/884886400.db2.gz QTPCHRYLRKOOSJ-VIFPVBQESA-N 1 2 283.328 -1.796 20 0 CAADLO NC(=O)C1(C(=O)N[C@H]2COC3(C[NH+](CCO)C3)C2)CC1 ZINC001327408117 884886489 /nfs/dbraw/zinc/88/64/89/884886489.db2.gz QTPCHRYLRKOOSJ-SECBINFHSA-N 1 2 283.328 -1.796 20 0 CAADLO NC(=O)C(=O)N[C@H]1COC2(C[NH+](CCOCC3CC3)C2)C1 ZINC001327408304 884886740 /nfs/dbraw/zinc/88/67/40/884886740.db2.gz SLAFADDRQXBHPW-LLVKDONJSA-N 1 2 297.355 -1.142 20 0 CAADLO C[C@@H](C(=O)NCCNS(=O)(=O)N(C)C)n1cc[nH+]c1 ZINC001327448992 884891448 /nfs/dbraw/zinc/89/14/48/884891448.db2.gz LLVFJPFTBLMRSD-VIFPVBQESA-N 1 2 289.361 -1.044 20 0 CAADLO Cn1nnnc1C[NH2+][C@]1(CO)CCCN(C(=O)C(N)=O)C1 ZINC001327590938 884905677 /nfs/dbraw/zinc/90/56/77/884905677.db2.gz JBYDKGXBPIDAAO-LLVKDONJSA-N 1 2 297.319 -2.862 20 0 CAADLO CN(C)C(=O)CCNC(=O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC001327657099 884916400 /nfs/dbraw/zinc/91/64/00/884916400.db2.gz IAKPJNYKFJHOET-UHFFFAOYSA-N 1 2 296.371 -1.113 20 0 CAADLO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)CN1CC[NH+](C)CC1 ZINC001327751846 884924319 /nfs/dbraw/zinc/92/43/19/884924319.db2.gz MDQPNOMHJVZGPN-AWEZNQCLSA-N 1 2 297.447 -1.014 20 0 CAADLO C[C@@H](c1nnnn1C1CC1)[N@@H+]1CC[C@@](O)(C(N)=O)C1 ZINC001327836846 884931931 /nfs/dbraw/zinc/93/19/31/884931931.db2.gz YAXIYELUGCIMOQ-CPCISQLKSA-N 1 2 266.305 -1.009 20 0 CAADLO C[C@@H](c1nnnn1C1CC1)[N@H+]1CC[C@@](O)(C(N)=O)C1 ZINC001327836846 884931947 /nfs/dbraw/zinc/93/19/47/884931947.db2.gz YAXIYELUGCIMOQ-CPCISQLKSA-N 1 2 266.305 -1.009 20 0 CAADLO C[C@H](c1nnnn1C1CC1)[N@@H+]1CC[C@](O)(C(N)=O)C1 ZINC001327836848 884933843 /nfs/dbraw/zinc/93/38/43/884933843.db2.gz YAXIYELUGCIMOQ-RDDDGLTNSA-N 1 2 266.305 -1.009 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCCN2C=O)C1 ZINC001327934033 884941847 /nfs/dbraw/zinc/94/18/47/884941847.db2.gz HYVYHRBUPSCIQQ-WDEREUQCSA-N 1 2 282.344 -1.327 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@H](NC(=O)[C@H]2CCCN2C=O)C1 ZINC001327934033 884941869 /nfs/dbraw/zinc/94/18/69/884941869.db2.gz HYVYHRBUPSCIQQ-WDEREUQCSA-N 1 2 282.344 -1.327 20 0 CAADLO COCC[NH+]1CCN(C(=O)C(=O)NC[C@@H](C)OC)CC1 ZINC001328134555 884954500 /nfs/dbraw/zinc/95/45/00/884954500.db2.gz YXDOBKRKIPVZKC-LLVKDONJSA-N 1 2 287.360 -1.072 20 0 CAADLO Cn1c[nH+]cc1CCNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001328271515 884963592 /nfs/dbraw/zinc/96/35/92/884963592.db2.gz HWIMRLOXLJBPHR-QMMMGPOBSA-N 1 2 265.273 -1.323 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@@H](NC(=O)C[C@@H]2CC(=O)N2)C1 ZINC001328313567 884967407 /nfs/dbraw/zinc/96/74/07/884967407.db2.gz DAYOCWNXCZIELY-RKDXNWHRSA-N 1 2 268.317 -1.669 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@@H](NC(=O)C[C@@H]2CC(=O)N2)C1 ZINC001328313567 884967425 /nfs/dbraw/zinc/96/74/25/884967425.db2.gz DAYOCWNXCZIELY-RKDXNWHRSA-N 1 2 268.317 -1.669 20 0 CAADLO CN(CC(=O)N1CCCC1)C(=O)C(=O)N1CC[NH+](C)CC1 ZINC001328312608 884968491 /nfs/dbraw/zinc/96/84/91/884968491.db2.gz RIZIDUMVOFMENH-UHFFFAOYSA-N 1 2 296.371 -1.159 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@H](NC(=O)C[C@@H]2CC(=O)N2)C1 ZINC001328313565 884968765 /nfs/dbraw/zinc/96/87/65/884968765.db2.gz DAYOCWNXCZIELY-DTWKUNHWSA-N 1 2 268.317 -1.669 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@H](NC(=O)C[C@@H]2CC(=O)N2)C1 ZINC001328313565 884968785 /nfs/dbraw/zinc/96/87/85/884968785.db2.gz DAYOCWNXCZIELY-DTWKUNHWSA-N 1 2 268.317 -1.669 20 0 CAADLO CN(C)S(=O)(=O)CCNC(=O)Cc1[nH]cc[nH+]1 ZINC001328393392 884979481 /nfs/dbraw/zinc/97/94/81/884979481.db2.gz BDMIYCGQSDPVFD-UHFFFAOYSA-N 1 2 260.319 -1.040 20 0 CAADLO C[NH2+]CCN(C)C(=O)Cn1[nH]cc2c(=O)ncnc1-2 ZINC001328504142 884994241 /nfs/dbraw/zinc/99/42/41/884994241.db2.gz HVTBRQFPOWEDNK-UHFFFAOYSA-N 1 2 264.289 -1.251 20 0 CAADLO O=C(Cc1[nH]cc[nH+]1)NCCN1CCNC(=O)C1 ZINC001328662260 885008918 /nfs/dbraw/zinc/00/89/18/885008918.db2.gz VLLMOCKSZYWRFG-UHFFFAOYSA-N 1 2 251.290 -1.500 20 0 CAADLO CN1C(=O)C(=O)N(CC(=O)N[C@H]2CCn3c[nH+]cc32)C1=O ZINC001328655783 885009568 /nfs/dbraw/zinc/00/95/68/885009568.db2.gz FNCGRNYZZMHFKH-ZETCQYMHSA-N 1 2 291.267 -1.135 20 0 CAADLO NC(=O)[C@@H]1C[C@@H](O)CN1CCC[NH+]1CCOCC1 ZINC001328756235 885019003 /nfs/dbraw/zinc/01/90/03/885019003.db2.gz GOICRILOTXXRJH-MNOVXSKESA-N 1 2 257.334 -1.371 20 0 CAADLO COC[C@H]1C[C@@H](O)CN1C(=O)C(=O)NCCn1cc[nH+]c1 ZINC001328904901 885034352 /nfs/dbraw/zinc/03/43/52/885034352.db2.gz PCEGADUDZXVHHF-GHMZBOCLSA-N 1 2 296.327 -1.393 20 0 CAADLO NC(=O)[C@@H]1C[C@@H](O)C[N@@H+]1[C@H]1CCN(C2CC2)C1=O ZINC001328939411 885038343 /nfs/dbraw/zinc/03/83/43/885038343.db2.gz SICHMEASHXPFOC-UTLUCORTSA-N 1 2 253.302 -1.330 20 0 CAADLO NC(=O)[C@@H]1C[C@@H](O)C[N@H+]1[C@H]1CCN(C2CC2)C1=O ZINC001328939411 885038355 /nfs/dbraw/zinc/03/83/55/885038355.db2.gz SICHMEASHXPFOC-UTLUCORTSA-N 1 2 253.302 -1.330 20 0 CAADLO CCS(=O)(=O)CC[NH2+][C@]1(C(N)=O)CCOC1 ZINC001329016614 885048423 /nfs/dbraw/zinc/04/84/23/885048423.db2.gz GIRMODNOOAGCIS-SECBINFHSA-N 1 2 250.320 -1.345 20 0 CAADLO NC(=O)[C@@H]1C[C@@H](O)C[N@@H+]1CCN1C[C@H]2CC[C@@H](C1)O2 ZINC001329137721 885069971 /nfs/dbraw/zinc/06/99/71/885069971.db2.gz OOTGNEFADIYTAG-WYUUTHIRSA-N 1 2 269.345 -1.230 20 0 CAADLO NC(=O)[C@@H]1C[C@@H](O)C[N@H+]1CCN1C[C@H]2CC[C@@H](C1)O2 ZINC001329137721 885069987 /nfs/dbraw/zinc/06/99/87/885069987.db2.gz OOTGNEFADIYTAG-WYUUTHIRSA-N 1 2 269.345 -1.230 20 0 CAADLO CN1CC(C(=O)NCC[N@@H+]2CC[C@H](O)C2)=NC1=O ZINC001329165260 885071751 /nfs/dbraw/zinc/07/17/51/885071751.db2.gz FXLRRNYNFCBPSX-QMMMGPOBSA-N 1 2 254.290 -1.078 20 0 CAADLO CN1CC(C(=O)NCC[N@H+]2CC[C@H](O)C2)=NC1=O ZINC001329165260 885071758 /nfs/dbraw/zinc/07/17/58/885071758.db2.gz FXLRRNYNFCBPSX-QMMMGPOBSA-N 1 2 254.290 -1.078 20 0 CAADLO CN1CCC[C@H]([NH2+]Cc2cn(CC(N)=O)nn2)C1=O ZINC001329160573 885072506 /nfs/dbraw/zinc/07/25/06/885072506.db2.gz GYTCLEYNOFUQIT-VIFPVBQESA-N 1 2 266.305 -1.526 20 0 CAADLO NC(=O)C1=NO[C@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001329262608 885086305 /nfs/dbraw/zinc/08/63/05/885086305.db2.gz LKWCVQBUQDYZDT-LURJTMIESA-N 1 2 251.246 -1.301 20 0 CAADLO O=C(/C=C/C[NH+]1CCOCC1)NCCN1C(=O)CNC1=O ZINC001329360350 885091333 /nfs/dbraw/zinc/09/13/33/885091333.db2.gz OWLRMWPHPAHCRQ-OWOJBTEDSA-N 1 2 296.327 -1.457 20 0 CAADLO CC(=O)OC[C@H](CO)NC(=O)/C=C/C[NH+]1CCOCC1 ZINC001329476860 885107055 /nfs/dbraw/zinc/10/70/55/885107055.db2.gz LCNXGLAAUGBOGC-JDGPPOGSSA-N 1 2 286.328 -1.085 20 0 CAADLO CC(=O)OC[C@@H](CO)NC(=O)/C=C\C[NH+]1CCOCC1 ZINC001329476863 885107399 /nfs/dbraw/zinc/10/73/99/885107399.db2.gz LCNXGLAAUGBOGC-ZZKXABKFSA-N 1 2 286.328 -1.085 20 0 CAADLO Cn1c[nH+]cc1CC(=O)N(CCO)CCOCCO ZINC001329512943 885110006 /nfs/dbraw/zinc/11/00/06/885110006.db2.gz SHBVXJMMIHOYEM-UHFFFAOYSA-N 1 2 271.317 -1.208 20 0 CAADLO O=C(CO[C@@H]1CCC[NH2+]C1)NCc1n[nH]c(=O)[nH]1 ZINC001329514054 885110614 /nfs/dbraw/zinc/11/06/14/885110614.db2.gz PQCVFJNHRDKXTP-SSDOTTSWSA-N 1 2 255.278 -1.105 20 0 CAADLO CC(C)CNC(=O)C[N@H+](C)[C@@H](C)CNC(=O)C(N)=O ZINC001329533585 885114782 /nfs/dbraw/zinc/11/47/82/885114782.db2.gz XJTCQJWVQINFPR-VIFPVBQESA-N 1 2 272.349 -1.320 20 0 CAADLO CC(C)CNC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)C(N)=O ZINC001329533585 885114785 /nfs/dbraw/zinc/11/47/85/885114785.db2.gz XJTCQJWVQINFPR-VIFPVBQESA-N 1 2 272.349 -1.320 20 0 CAADLO C[C@@H](CNC(=O)C(N)=O)[N@H+](C)CC(=O)N1CCOCC1 ZINC001329529500 885114968 /nfs/dbraw/zinc/11/49/68/885114968.db2.gz BWGGJPFCRFTCIM-VIFPVBQESA-N 1 2 286.332 -2.233 20 0 CAADLO C[C@@H](CNC(=O)C(N)=O)[N@@H+](C)CC(=O)N1CCOCC1 ZINC001329529500 885114972 /nfs/dbraw/zinc/11/49/72/885114972.db2.gz BWGGJPFCRFTCIM-VIFPVBQESA-N 1 2 286.332 -2.233 20 0 CAADLO O=C(/C=C\C[NH+]1CCOCC1)NC[C@@H](O)Cn1ccnn1 ZINC001329578503 885117956 /nfs/dbraw/zinc/11/79/56/885117956.db2.gz SDLKTLQUHRGUFJ-UDSFMNFJSA-N 1 2 295.343 -1.356 20 0 CAADLO O=C1CC[C@@H](C[N@@H+]2CCN3C(=O)C(=O)NC[C@@H]3C2)N1 ZINC001329598090 885119671 /nfs/dbraw/zinc/11/96/71/885119671.db2.gz XCVLFBPCLUSZBR-DTWKUNHWSA-N 1 2 266.301 -2.092 20 0 CAADLO O=C1CC[C@@H](C[N@H+]2CCN3C(=O)C(=O)NC[C@@H]3C2)N1 ZINC001329598090 885119677 /nfs/dbraw/zinc/11/96/77/885119677.db2.gz XCVLFBPCLUSZBR-DTWKUNHWSA-N 1 2 266.301 -2.092 20 0 CAADLO O=C([C@@H]1CCNC1=O)N1CCO[C@H](C[NH+]2CCOCC2)C1 ZINC001329607477 885120508 /nfs/dbraw/zinc/12/05/08/885120508.db2.gz JKYRAIADMKOQDR-VXGBXAGGSA-N 1 2 297.355 -1.318 20 0 CAADLO CS(=O)(=O)CCC(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC001329654448 885126312 /nfs/dbraw/zinc/12/63/12/885126312.db2.gz MLPPWAHRIAWSLQ-SECBINFHSA-N 1 2 264.347 -1.396 20 0 CAADLO CS(=O)(=O)CCC(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC001329654448 885126317 /nfs/dbraw/zinc/12/63/17/885126317.db2.gz MLPPWAHRIAWSLQ-SECBINFHSA-N 1 2 264.347 -1.396 20 0 CAADLO Cn1c[nH+]cc1CN1CC(CCO)(NC(=O)CC(N)=O)C1 ZINC001329643162 885127162 /nfs/dbraw/zinc/12/71/62/885127162.db2.gz YZUXVEDOVLKMBM-UHFFFAOYSA-N 1 2 295.343 -1.652 20 0 CAADLO COCC[NH+]1CC(CCO)(NC(=O)[C@H]2CCCNC2=O)C1 ZINC001329669606 885129839 /nfs/dbraw/zinc/12/98/39/885129839.db2.gz YEMMSLZFRJIHGW-NSHDSACASA-N 1 2 299.371 -1.288 20 0 CAADLO COC[C@@H](C)[NH+]1CC(CCO)(NC(=O)[C@H]2CCNC2=O)C1 ZINC001329682362 885132161 /nfs/dbraw/zinc/13/21/61/885132161.db2.gz SXWKRNKHISKCTQ-MNOVXSKESA-N 1 2 299.371 -1.290 20 0 CAADLO CONC(=O)C1CC[NH+](CN2C(=O)C(=O)N(C)C2=O)CC1 ZINC001329688668 885132503 /nfs/dbraw/zinc/13/25/03/885132503.db2.gz XAHNDBUXGUESRV-UHFFFAOYSA-N 1 2 298.299 -1.246 20 0 CAADLO O=C(C[C@@H]1CC(=O)NC1=O)NC1(CCO)C[NH+](CCO)C1 ZINC001329720961 885134259 /nfs/dbraw/zinc/13/42/59/885134259.db2.gz QCNUDNPUTCTLBO-VIFPVBQESA-N 1 2 299.327 -2.416 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2C[C@@H](O)C2)C1 ZINC001329791144 885139727 /nfs/dbraw/zinc/13/97/27/885139727.db2.gz AAWXVIOFWINIFY-BBBLOLIVSA-N 1 2 255.318 -1.177 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@@H](NC(=O)[C@H]2C[C@@H](O)C2)C1 ZINC001329791144 885139734 /nfs/dbraw/zinc/13/97/34/885139734.db2.gz AAWXVIOFWINIFY-BBBLOLIVSA-N 1 2 255.318 -1.177 20 0 CAADLO Cn1c[nH+]cc1CNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001329870252 885149853 /nfs/dbraw/zinc/14/98/53/885149853.db2.gz XSPRKSBMPRVGBH-ZETCQYMHSA-N 1 2 251.246 -1.366 20 0 CAADLO O=C(C[N@@H+]1C[C@H](O)[C@H](CO)C1)Nc1cnccn1 ZINC001329893641 885152487 /nfs/dbraw/zinc/15/24/87/885152487.db2.gz WIRNTSZNBCFBDB-IUCAKERBSA-N 1 2 252.274 -1.300 20 0 CAADLO O=C(C[N@H+]1C[C@H](O)[C@H](CO)C1)Nc1cnccn1 ZINC001329893641 885152492 /nfs/dbraw/zinc/15/24/92/885152492.db2.gz WIRNTSZNBCFBDB-IUCAKERBSA-N 1 2 252.274 -1.300 20 0 CAADLO O=C(C[N@@H+]1C[C@@H](O)[C@H](CO)C1)Nc1cnccn1 ZINC001329893640 885153538 /nfs/dbraw/zinc/15/35/38/885153538.db2.gz WIRNTSZNBCFBDB-DTWKUNHWSA-N 1 2 252.274 -1.300 20 0 CAADLO O=C(C[N@H+]1C[C@@H](O)[C@H](CO)C1)Nc1cnccn1 ZINC001329893640 885153555 /nfs/dbraw/zinc/15/35/55/885153555.db2.gz WIRNTSZNBCFBDB-DTWKUNHWSA-N 1 2 252.274 -1.300 20 0 CAADLO O=C(C[N@H+]1C[C@H](CO)[C@H](O)C1)Nc1cnccn1 ZINC001329893644 885153936 /nfs/dbraw/zinc/15/39/36/885153936.db2.gz WIRNTSZNBCFBDB-RKDXNWHRSA-N 1 2 252.274 -1.300 20 0 CAADLO O=C(C[N@@H+]1C[C@H](CO)[C@H](O)C1)Nc1cnccn1 ZINC001329893644 885153943 /nfs/dbraw/zinc/15/39/43/885153943.db2.gz WIRNTSZNBCFBDB-RKDXNWHRSA-N 1 2 252.274 -1.300 20 0 CAADLO C[NH2+]C[C@H](C)NC(=O)Cn1[nH]cc2c(=O)ncnc1-2 ZINC001329949694 885159261 /nfs/dbraw/zinc/15/92/61/885159261.db2.gz FXEDEDMDKBKDGF-ZETCQYMHSA-N 1 2 264.289 -1.205 20 0 CAADLO NC(=O)CC(=O)N1CCO[C@H](C[NH+]2CCOCC2)C1 ZINC001329988960 885161600 /nfs/dbraw/zinc/16/16/00/885161600.db2.gz NQRKTLWFWPUFDS-SNVBAGLBSA-N 1 2 271.317 -1.579 20 0 CAADLO CCNC(=O)CC(=O)N[C@@H](C)C1C[NH+](CC(=O)NC)C1 ZINC001329981952 885162216 /nfs/dbraw/zinc/16/22/16/885162216.db2.gz ATBSLWSKSOYZCL-VIFPVBQESA-N 1 2 284.360 -1.305 20 0 CAADLO COCCOCC(=O)N[C@@H](C)C1C[NH+](CC(N)=O)C1 ZINC001329972882 885162600 /nfs/dbraw/zinc/16/26/00/885162600.db2.gz SSUCHTWBXRJGOY-VIFPVBQESA-N 1 2 273.333 -1.429 20 0 CAADLO COc1cncc(C[NH+]2CC([C@@H](C)NC(=O)C(N)=O)C2)n1 ZINC001330045417 885170475 /nfs/dbraw/zinc/17/04/75/885170475.db2.gz CBWDZZRNLKBDBK-MRVPVSSYSA-N 1 2 293.327 -1.093 20 0 CAADLO COC(=O)[C@@]1(O)CC[N@H+](CCS(C)(=O)=O)C1 ZINC001330732633 885223333 /nfs/dbraw/zinc/22/33/33/885223333.db2.gz MTJGJLJJRKQNMA-SECBINFHSA-N 1 2 251.304 -1.359 20 0 CAADLO COC(=O)[C@@]1(O)CC[N@@H+](CCS(C)(=O)=O)C1 ZINC001330732633 885223341 /nfs/dbraw/zinc/22/33/41/885223341.db2.gz MTJGJLJJRKQNMA-SECBINFHSA-N 1 2 251.304 -1.359 20 0 CAADLO C[C@H](NC(=O)CN1C(=O)CNC1=O)C1C[NH+](CC(N)=O)C1 ZINC001330074059 885173941 /nfs/dbraw/zinc/17/39/41/885173941.db2.gz JFQAAALAVISADA-ZETCQYMHSA-N 1 2 297.315 -2.540 20 0 CAADLO O=C(NCCn1cc[nH+]c1)N(CCO)CCOCCO ZINC001330340219 885189827 /nfs/dbraw/zinc/18/98/27/885189827.db2.gz XWHNITQAPKDTLM-UHFFFAOYSA-N 1 2 286.332 -1.104 20 0 CAADLO COCC[C@H](NC(=O)/C=C/C[NH+]1CCOCC1)C(N)=O ZINC001330380263 885190956 /nfs/dbraw/zinc/19/09/56/885190956.db2.gz VMFIJERIFNKFTE-VUDBWIFFSA-N 1 2 285.344 -1.119 20 0 CAADLO Cn1c[nH+]c(CCNC(=O)C(=O)N2CCCNC(=O)C2)c1 ZINC001330368243 885192127 /nfs/dbraw/zinc/19/21/27/885192127.db2.gz HZNPGOALZZIWBK-UHFFFAOYSA-N 1 2 293.327 -1.573 20 0 CAADLO C[NH+]1CCN(C(=O)C(=O)N2CCC(O)(CO)CC2)CC1 ZINC001330473668 885195764 /nfs/dbraw/zinc/19/57/64/885195764.db2.gz OETCVEWLWGVGQR-UHFFFAOYSA-N 1 2 285.344 -1.894 20 0 CAADLO Cn1c[nH+]cc1CNC(=O)N1CCO[C@H](C(N)=O)C1 ZINC001330513942 885199483 /nfs/dbraw/zinc/19/94/83/885199483.db2.gz ZTZASDYOZSDPCR-VIFPVBQESA-N 1 2 267.289 -1.184 20 0 CAADLO COC(=O)C[C@H]1C(=O)NCC[N@H+]1C[C@H]1CNC(=O)C1 ZINC001330544724 885202133 /nfs/dbraw/zinc/20/21/33/885202133.db2.gz JUPBNLVIEFZNQB-BDAKNGLRSA-N 1 2 269.301 -1.514 20 0 CAADLO COC(=O)C[C@H]1C(=O)NCC[N@@H+]1C[C@H]1CNC(=O)C1 ZINC001330544724 885202154 /nfs/dbraw/zinc/20/21/54/885202154.db2.gz JUPBNLVIEFZNQB-BDAKNGLRSA-N 1 2 269.301 -1.514 20 0 CAADLO COC(=O)C[C@H]1C(=O)NCC[N@H+]1C[C@@H]1CNC(=O)C1 ZINC001330544728 885203114 /nfs/dbraw/zinc/20/31/14/885203114.db2.gz JUPBNLVIEFZNQB-IUCAKERBSA-N 1 2 269.301 -1.514 20 0 CAADLO COC(=O)C[C@H]1C(=O)NCC[N@@H+]1C[C@@H]1CNC(=O)C1 ZINC001330544728 885203131 /nfs/dbraw/zinc/20/31/31/885203131.db2.gz JUPBNLVIEFZNQB-IUCAKERBSA-N 1 2 269.301 -1.514 20 0 CAADLO NC(=O)C[C@H]1COCC[N@@H+]1CCN1C(=O)CNC1=O ZINC001330568686 885206027 /nfs/dbraw/zinc/20/60/27/885206027.db2.gz YMYIMQVJXHRFRM-QMMMGPOBSA-N 1 2 270.289 -1.886 20 0 CAADLO NC(=O)C[C@H]1COCC[N@H+]1CCN1C(=O)CNC1=O ZINC001330568686 885206039 /nfs/dbraw/zinc/20/60/39/885206039.db2.gz YMYIMQVJXHRFRM-QMMMGPOBSA-N 1 2 270.289 -1.886 20 0 CAADLO NC(=O)C[C@@H]1COCC[N@@H+]1CCN1C(=O)CNC1=O ZINC001330568685 885206460 /nfs/dbraw/zinc/20/64/60/885206460.db2.gz YMYIMQVJXHRFRM-MRVPVSSYSA-N 1 2 270.289 -1.886 20 0 CAADLO NC(=O)C[C@@H]1COCC[N@H+]1CCN1C(=O)CNC1=O ZINC001330568685 885206474 /nfs/dbraw/zinc/20/64/74/885206474.db2.gz YMYIMQVJXHRFRM-MRVPVSSYSA-N 1 2 270.289 -1.886 20 0 CAADLO COC(=O)CN1CC[NH+](CCN2C(=O)N[C@@H](C)C2=O)CC1 ZINC001330689961 885220792 /nfs/dbraw/zinc/22/07/92/885220792.db2.gz DKLYZZDOSYWLIJ-JTQLQIEISA-N 1 2 298.343 -1.283 20 0 CAADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)C[C@H]2CC(=O)N2)CC1 ZINC001330723615 885221668 /nfs/dbraw/zinc/22/16/68/885221668.db2.gz AKEJZEMTPDXRGC-LLVKDONJSA-N 1 2 296.371 -1.065 20 0 CAADLO CCNC(=O)C[N@H+]1CCCN(C(=O)C[C@H]2CC(=O)N2)CC1 ZINC001330723615 885221686 /nfs/dbraw/zinc/22/16/86/885221686.db2.gz AKEJZEMTPDXRGC-LLVKDONJSA-N 1 2 296.371 -1.065 20 0 CAADLO COC(=O)CNC(=O)[C@H](C)[N@@H+]1CC[C@@H](O)[C@@H](O)C1 ZINC001330706548 885222562 /nfs/dbraw/zinc/22/25/62/885222562.db2.gz SEHZNIPLOFVXRV-YIZRAAEISA-N 1 2 260.290 -1.908 20 0 CAADLO COC(=O)CNC(=O)[C@H](C)[N@H+]1CC[C@@H](O)[C@@H](O)C1 ZINC001330706548 885222579 /nfs/dbraw/zinc/22/25/79/885222579.db2.gz SEHZNIPLOFVXRV-YIZRAAEISA-N 1 2 260.290 -1.908 20 0 CAADLO COC(=O)CNC(=O)[C@@H](C)[N@H+]1CC[C@@H](O)[C@@H](O)C1 ZINC001330706547 885224188 /nfs/dbraw/zinc/22/41/88/885224188.db2.gz SEHZNIPLOFVXRV-HLTSFMKQSA-N 1 2 260.290 -1.908 20 0 CAADLO COC(=O)CNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](O)[C@@H](O)C1 ZINC001330706547 885224175 /nfs/dbraw/zinc/22/41/75/885224175.db2.gz SEHZNIPLOFVXRV-HLTSFMKQSA-N 1 2 260.290 -1.908 20 0 CAADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)C[C@@H]2CC(=O)N2)CC1 ZINC001330723616 885225237 /nfs/dbraw/zinc/22/52/37/885225237.db2.gz AKEJZEMTPDXRGC-NSHDSACASA-N 1 2 296.371 -1.065 20 0 CAADLO CCNC(=O)C[N@H+]1CCCN(C(=O)C[C@@H]2CC(=O)N2)CC1 ZINC001330723616 885225258 /nfs/dbraw/zinc/22/52/58/885225258.db2.gz AKEJZEMTPDXRGC-NSHDSACASA-N 1 2 296.371 -1.065 20 0 CAADLO CN(CCS(N)(=O)=O)C(=O)Cc1c[nH+]cn1C ZINC001330757267 885226397 /nfs/dbraw/zinc/22/63/97/885226397.db2.gz WZGOVWCGXSRWQZ-UHFFFAOYSA-N 1 2 260.319 -1.291 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@@H](NC(=O)C2(C(N)=O)CCC2)C1 ZINC001330776489 885227275 /nfs/dbraw/zinc/22/72/75/885227275.db2.gz GUKBVUBETXTNOV-SECBINFHSA-N 1 2 282.344 -1.292 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@@H](NC(=O)C2(C(N)=O)CCC2)C1 ZINC001330776489 885227289 /nfs/dbraw/zinc/22/72/89/885227289.db2.gz GUKBVUBETXTNOV-SECBINFHSA-N 1 2 282.344 -1.292 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@H](NC(=O)[C@H]2CC(=O)N2)C1 ZINC001330885329 885236443 /nfs/dbraw/zinc/23/64/43/885236443.db2.gz HJVYZCZIWLWZQN-JGVFFNPUSA-N 1 2 254.290 -2.059 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@H](NC(=O)[C@H]2CC(=O)N2)C1 ZINC001330885329 885236458 /nfs/dbraw/zinc/23/64/58/885236458.db2.gz HJVYZCZIWLWZQN-JGVFFNPUSA-N 1 2 254.290 -2.059 20 0 CAADLO CCN1CC[C@@H](NC(=O)C(=O)NCCn2cc[nH+]c2)C1=O ZINC001330942684 885240743 /nfs/dbraw/zinc/24/07/43/885240743.db2.gz UZFBOAYEFCBLIM-SNVBAGLBSA-N 1 2 293.327 -1.264 20 0 CAADLO Cn1c[nH+]cc1CNC(=O)N1CCN2C(=O)NC(=O)[C@H]2C1 ZINC001330962074 885246486 /nfs/dbraw/zinc/24/64/86/885246486.db2.gz RLQJZGITJUUQSN-SECBINFHSA-N 1 2 292.299 -1.134 20 0 CAADLO CN1C[C@@H](C[N@H+](C)CCS(N)(=O)=O)OC1=O ZINC001331181709 885261541 /nfs/dbraw/zinc/26/15/41/885261541.db2.gz YOABZQNGGKAFPC-SSDOTTSWSA-N 1 2 251.308 -1.343 20 0 CAADLO CN1C[C@@H](C[N@@H+](C)CCS(N)(=O)=O)OC1=O ZINC001331181709 885261557 /nfs/dbraw/zinc/26/15/57/885261557.db2.gz YOABZQNGGKAFPC-SSDOTTSWSA-N 1 2 251.308 -1.343 20 0 CAADLO CON(C)C(=O)Cn1cc(C[N@H+](C)CCO)nn1 ZINC001331228705 885269392 /nfs/dbraw/zinc/26/93/92/885269392.db2.gz TZYNLKZKOPBKNJ-UHFFFAOYSA-N 1 2 257.294 -1.278 20 0 CAADLO CON(C)C(=O)Cn1cc(C[N@@H+](C)CCO)nn1 ZINC001331228705 885269412 /nfs/dbraw/zinc/26/94/12/885269412.db2.gz TZYNLKZKOPBKNJ-UHFFFAOYSA-N 1 2 257.294 -1.278 20 0 CAADLO COC(=O)NC1CN(C(=O)C(=O)N2CC[NH+](C)CC2)C1 ZINC001331268929 885271244 /nfs/dbraw/zinc/27/12/44/885271244.db2.gz MUNNSGVHYOYACQ-UHFFFAOYSA-N 1 2 284.316 -1.673 20 0 CAADLO O=C1CNC(=O)N1CC[N@@H+]1CCN2C(=O)NC[C@@H]2C1 ZINC001331420621 885279073 /nfs/dbraw/zinc/27/90/73/885279073.db2.gz ZJDLUDXCZCHPLD-MRVPVSSYSA-N 1 2 267.289 -1.752 20 0 CAADLO O=C1CNC(=O)N1CC[N@H+]1CCN2C(=O)NC[C@@H]2C1 ZINC001331420621 885279094 /nfs/dbraw/zinc/27/90/94/885279094.db2.gz ZJDLUDXCZCHPLD-MRVPVSSYSA-N 1 2 267.289 -1.752 20 0 CAADLO CC1(C)NC(=O)N(CC[N@@H+]2C[C@H](O)C[C@H]2C(N)=O)C1=O ZINC001331498281 885284294 /nfs/dbraw/zinc/28/42/94/885284294.db2.gz LXCXBBHZJQWJNR-SFYZADRCSA-N 1 2 284.316 -1.763 20 0 CAADLO CC1(C)NC(=O)N(CC[N@H+]2C[C@H](O)C[C@H]2C(N)=O)C1=O ZINC001331498281 885284305 /nfs/dbraw/zinc/28/43/05/885284305.db2.gz LXCXBBHZJQWJNR-SFYZADRCSA-N 1 2 284.316 -1.763 20 0 CAADLO C[C@H](NC(=O)[C@@H]1CCNC1=O)[C@H]1CN(C)CC[N@@H+]1C ZINC001331578902 885293386 /nfs/dbraw/zinc/29/33/86/885293386.db2.gz GAGMYWKNHOYGTI-HBNTYKKESA-N 1 2 268.361 -1.127 20 0 CAADLO C[C@H](NC(=O)[C@@H]1CCNC1=O)[C@H]1CN(C)CC[N@H+]1C ZINC001331578902 885293402 /nfs/dbraw/zinc/29/34/02/885293402.db2.gz GAGMYWKNHOYGTI-HBNTYKKESA-N 1 2 268.361 -1.127 20 0 CAADLO COCCOCC[N@H+](CCO)Cc1nc(=O)n(C)[nH]1 ZINC001331649283 885298312 /nfs/dbraw/zinc/29/83/12/885298312.db2.gz QQMRZHFCIROIPF-UHFFFAOYSA-N 1 2 274.321 -1.434 20 0 CAADLO COCCOCC[N@@H+](CCO)Cc1nc(=O)n(C)[nH]1 ZINC001331649283 885298329 /nfs/dbraw/zinc/29/83/29/885298329.db2.gz QQMRZHFCIROIPF-UHFFFAOYSA-N 1 2 274.321 -1.434 20 0 CAADLO CC[NH+]1CCN(C(=O)C(=O)N(C)[C@H]2C[C@@H](C(N)=O)C2)CC1 ZINC001331648915 885300136 /nfs/dbraw/zinc/30/01/36/885300136.db2.gz PLTGVYAUFXWLSV-PHIMTYICSA-N 1 2 296.371 -1.127 20 0 CAADLO C[C@@H]([NH2+][C@@H](CO)CNC(=O)C1CC1)c1nnnn1C ZINC001331662263 885303835 /nfs/dbraw/zinc/30/38/35/885303835.db2.gz GQQQMJFWGUAWFN-VXNVDRBHSA-N 1 2 268.321 -1.252 20 0 CAADLO Cn1ncnc1C[NH2+][C@H](CO)CNC(=O)C(C)(C)C(N)=O ZINC001331726466 885328508 /nfs/dbraw/zinc/32/85/08/885328508.db2.gz SUJQHBOJKMLWMV-QMMMGPOBSA-N 1 2 298.347 -2.107 20 0 CAADLO Cn1ncnc1C[NH2+][C@@H](CO)CNC(=O)C(C)(C)C(N)=O ZINC001331726463 885328891 /nfs/dbraw/zinc/32/88/91/885328891.db2.gz SUJQHBOJKMLWMV-MRVPVSSYSA-N 1 2 298.347 -2.107 20 0 CAADLO O=C(NC[C@@H](CO)[NH2+]Cc1ccon1)[C@@H]1CCNC1=O ZINC001331771255 885338709 /nfs/dbraw/zinc/33/87/09/885338709.db2.gz LBAAGUZTSYMLPB-VHSXEESVSA-N 1 2 282.300 -1.623 20 0 CAADLO C[C@@H](O)[C@H]1C[N@H+](CCCS(N)(=O)=O)CCO1 ZINC001331769941 885342206 /nfs/dbraw/zinc/34/22/06/885342206.db2.gz HIAKEIYLBSYSAY-RKDXNWHRSA-N 1 2 252.336 -1.253 20 0 CAADLO C[C@@H](O)[C@H]1C[N@@H+](CCCS(N)(=O)=O)CCO1 ZINC001331769941 885342232 /nfs/dbraw/zinc/34/22/32/885342232.db2.gz HIAKEIYLBSYSAY-RKDXNWHRSA-N 1 2 252.336 -1.253 20 0 CAADLO Cc1nc(C[NH2+][C@H](CO)CNC(=O)C(N)=O)cs1 ZINC001331775365 885344534 /nfs/dbraw/zinc/34/45/34/885344534.db2.gz SSGMDVSCXNABEC-ZETCQYMHSA-N 1 2 272.330 -1.496 20 0 CAADLO Cn1ccc(C[NH2+][C@H](CO)CNC(=O)C(N)=O)n1 ZINC001331775315 885344977 /nfs/dbraw/zinc/34/49/77/885344977.db2.gz RHEXASLSIQFQRK-QMMMGPOBSA-N 1 2 255.278 -2.528 20 0 CAADLO OCCOCC[N@@H+]1CCO[C@@H](Cn2ccnn2)C1 ZINC001331790733 885347949 /nfs/dbraw/zinc/34/79/49/885347949.db2.gz JCXCMAPXBBTKDG-LLVKDONJSA-N 1 2 256.306 -1.012 20 0 CAADLO OCCOCC[N@H+]1CCO[C@@H](Cn2ccnn2)C1 ZINC001331790733 885347967 /nfs/dbraw/zinc/34/79/67/885347967.db2.gz JCXCMAPXBBTKDG-LLVKDONJSA-N 1 2 256.306 -1.012 20 0 CAADLO CNC(=O)CCC[NH+](CC(=O)NC)CC(=O)NC ZINC001331838360 885355437 /nfs/dbraw/zinc/35/54/37/885355437.db2.gz WYIXOFLSAMRMMN-UHFFFAOYSA-N 1 2 258.322 -1.693 20 0 CAADLO CN1CC[N@H+](C)[C@H](CNC(=O)C[C@H]2CCNC2=O)C1 ZINC001331895404 885359055 /nfs/dbraw/zinc/35/90/55/885359055.db2.gz WCMGFMXBWFUUFN-GHMZBOCLSA-N 1 2 268.361 -1.125 20 0 CAADLO CN1CC[N@@H+](C)[C@H](CNC(=O)C[C@H]2CCNC2=O)C1 ZINC001331895404 885359075 /nfs/dbraw/zinc/35/90/75/885359075.db2.gz WCMGFMXBWFUUFN-GHMZBOCLSA-N 1 2 268.361 -1.125 20 0 CAADLO CN1CC[N@H+](C)[C@@H](CNC(=O)C[C@@H]2CCNC2=O)C1 ZINC001331895407 885364128 /nfs/dbraw/zinc/36/41/28/885364128.db2.gz WCMGFMXBWFUUFN-QWRGUYRKSA-N 1 2 268.361 -1.125 20 0 CAADLO CN1CC[N@@H+](C)[C@@H](CNC(=O)C[C@@H]2CCNC2=O)C1 ZINC001331895407 885364149 /nfs/dbraw/zinc/36/41/49/885364149.db2.gz WCMGFMXBWFUUFN-QWRGUYRKSA-N 1 2 268.361 -1.125 20 0 CAADLO NC(=O)CONC(=O)c1cccn1CC[NH+]1CCOCC1 ZINC001332100023 885377440 /nfs/dbraw/zinc/37/74/40/885377440.db2.gz SETMMEVVVBZKKZ-UHFFFAOYSA-N 1 2 296.327 -1.033 20 0 CAADLO COC(=O)CC(=O)N1CCC[N@H+](CC(N)=O)CC1 ZINC001332065344 885377648 /nfs/dbraw/zinc/37/76/48/885377648.db2.gz VXDXURHAHGQIHT-UHFFFAOYSA-N 1 2 257.290 -1.431 20 0 CAADLO COC(=O)CC(=O)N1CCC[N@@H+](CC(N)=O)CC1 ZINC001332065344 885377669 /nfs/dbraw/zinc/37/76/69/885377669.db2.gz VXDXURHAHGQIHT-UHFFFAOYSA-N 1 2 257.290 -1.431 20 0 CAADLO O=C(/C=C\C[NH+]1CCOCC1)N[C@H]1CCNC1=O ZINC001332132859 885383212 /nfs/dbraw/zinc/38/32/12/885383212.db2.gz YURRJGNDUNZHNG-SYBPUXJVSA-N 1 2 253.302 -1.121 20 0 CAADLO Cn1cc(C(=O)C(=O)NC2CC[NH+](CC(N)=O)CC2)cn1 ZINC001332229463 885388659 /nfs/dbraw/zinc/38/86/59/885388659.db2.gz SVKBTYXLOIDZII-UHFFFAOYSA-N 1 2 293.327 -1.331 20 0 CAADLO Cc1c(C(=O)N2CC[N@H+](C)C[C@@H]2CO)nnn1C ZINC001332258015 885391883 /nfs/dbraw/zinc/39/18/83/885391883.db2.gz BYOPTCWAQNBFMX-SECBINFHSA-N 1 2 253.306 -1.128 20 0 CAADLO Cc1c(C(=O)N2CC[N@@H+](C)C[C@@H]2CO)nnn1C ZINC001332258015 885391898 /nfs/dbraw/zinc/39/18/98/885391898.db2.gz BYOPTCWAQNBFMX-SECBINFHSA-N 1 2 253.306 -1.128 20 0 CAADLO C[N@@H+]1CCN(C(=O)c2cc(CO)on2)[C@@H](CO)C1 ZINC001332258343 885394203 /nfs/dbraw/zinc/39/42/03/885394203.db2.gz GOLCUYSAFOZUSY-MRVPVSSYSA-N 1 2 255.274 -1.085 20 0 CAADLO C[N@H+]1CCN(C(=O)c2cc(CO)on2)[C@@H](CO)C1 ZINC001332258343 885394223 /nfs/dbraw/zinc/39/42/23/885394223.db2.gz GOLCUYSAFOZUSY-MRVPVSSYSA-N 1 2 255.274 -1.085 20 0 CAADLO C[C@@H]1CS(=O)(=O)C[C@@H]1N1C(=O)N[C@@H](C[NH+](C)C)C1=O ZINC001332363541 885403571 /nfs/dbraw/zinc/40/35/71/885403571.db2.gz GQHOJFLGXQTPGH-VGMNWLOBSA-N 1 2 289.357 -1.099 20 0 CAADLO [NH3+][C@H]1CCN(C(=O)Cn2[nH]cc3c(=O)ncnc2-3)C1 ZINC001332432320 885408072 /nfs/dbraw/zinc/40/80/72/885408072.db2.gz UJILLIBYQQNTJK-ZETCQYMHSA-N 1 2 262.273 -1.369 20 0 CAADLO C[C@H](C(=O)NC[C@]1(O)CCS(=O)(=O)C1)[NH+](C)C ZINC001332470157 885411502 /nfs/dbraw/zinc/41/15/02/885411502.db2.gz OLNDKTHENGTPHP-PSASIEDQSA-N 1 2 264.347 -1.398 20 0 CAADLO CN(C[C@H](O)C[NH2+]Cc1cnsn1)C(=O)CC(N)=O ZINC001332488385 885413980 /nfs/dbraw/zinc/41/39/80/885413980.db2.gz KRXYMSVKMFNKAV-MRVPVSSYSA-N 1 2 287.345 -1.678 20 0 CAADLO O=C(Cc1c[nH+]c[nH]1)N(CCO)CCOCCO ZINC001332694192 885432783 /nfs/dbraw/zinc/43/27/83/885432783.db2.gz HXOIHVVLMHLBNC-UHFFFAOYSA-N 1 2 257.290 -1.218 20 0 CAADLO CC[NH+]1CCN(C(=O)C(=O)NCc2cn(C)nn2)CC1 ZINC001332741389 885435523 /nfs/dbraw/zinc/43/55/23/885435523.db2.gz DQQBMOHWTYAJBC-UHFFFAOYSA-N 1 2 280.332 -1.405 20 0 CAADLO C[C@H](NC(=O)CN1CC[NH+](C)CC1)[C@H]1C[N@H+](C)CCN1C ZINC001332753995 885435539 /nfs/dbraw/zinc/43/55/39/885435539.db2.gz AMKIKFNXTSPTQP-UONOGXRCSA-N 1 2 297.447 -1.016 20 0 CAADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)C[C@H]1CC(=O)NC1=O ZINC001332820343 885438750 /nfs/dbraw/zinc/43/87/50/885438750.db2.gz GEDFVYYWPCXEKM-UWVGGRQHSA-N 1 2 283.328 -1.124 20 0 CAADLO C[C@H](C[NH+]1CCOCC1)NC(=O)C[C@@H]1CC(=O)NC1=O ZINC001332820320 885439597 /nfs/dbraw/zinc/43/95/97/885439597.db2.gz GEDFVYYWPCXEKM-NXEZZACHSA-N 1 2 283.328 -1.124 20 0 CAADLO C[C@H](CS(C)(=O)=O)N1C(=O)N[C@@H](C[NH+](C)C)C1=O ZINC001332832082 885442465 /nfs/dbraw/zinc/44/24/65/885442465.db2.gz BLKDAOSQECCPNF-SFYZADRCSA-N 1 2 277.346 -1.099 20 0 CAADLO C[C@H](CS(C)(=O)=O)N1C(=O)N[C@H](C[NH+](C)C)C1=O ZINC001332832080 885444377 /nfs/dbraw/zinc/44/43/77/885444377.db2.gz BLKDAOSQECCPNF-HTQZYQBOSA-N 1 2 277.346 -1.099 20 0 CAADLO COCC[N@H+](CCNC(=O)c1cc[n+]([O-])cc1)CC(N)=O ZINC001332906586 885446208 /nfs/dbraw/zinc/44/62/08/885446208.db2.gz CQFQUYIGCRWJDX-UHFFFAOYSA-N 1 2 296.327 -1.517 20 0 CAADLO COCC[N@@H+](CCNC(=O)c1cc[n+]([O-])cc1)CC(N)=O ZINC001332906586 885446223 /nfs/dbraw/zinc/44/62/23/885446223.db2.gz CQFQUYIGCRWJDX-UHFFFAOYSA-N 1 2 296.327 -1.517 20 0 CAADLO C[C@@H](NC(=O)C(N)=O)C1CC[NH+](Cc2nnnn2C)CC1 ZINC001332959987 885451694 /nfs/dbraw/zinc/45/16/94/885451694.db2.gz HLSWJCGFNOXVFH-MRVPVSSYSA-N 1 2 295.347 -1.588 20 0 CAADLO COCCNC(=O)CN1CC[NH+](CCn2cnnn2)CC1 ZINC001333018479 885454689 /nfs/dbraw/zinc/45/46/89/885454689.db2.gz CHFXZQDXWUOXRR-UHFFFAOYSA-N 1 2 297.363 -1.947 20 0 CAADLO C[C@H](Cn1cc[nH+]c1)NC(=O)CCNC(=O)CO ZINC001333234748 885462663 /nfs/dbraw/zinc/46/26/63/885462663.db2.gz YCTYKAHFHBQJJL-SECBINFHSA-N 1 2 254.290 -1.114 20 0 CAADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)CCNC(=O)CO ZINC001333234751 885462863 /nfs/dbraw/zinc/46/28/63/885462863.db2.gz YCTYKAHFHBQJJL-VIFPVBQESA-N 1 2 254.290 -1.114 20 0 CAADLO COC(=O)Cn1cc(C[N@H+](C)CCOCCO)nn1 ZINC001333217269 885463147 /nfs/dbraw/zinc/46/31/47/885463147.db2.gz AXXFDUUKOZJYJJ-UHFFFAOYSA-N 1 2 272.305 -1.108 20 0 CAADLO COC(=O)Cn1cc(C[N@@H+](C)CCOCCO)nn1 ZINC001333217269 885463159 /nfs/dbraw/zinc/46/31/59/885463159.db2.gz AXXFDUUKOZJYJJ-UHFFFAOYSA-N 1 2 272.305 -1.108 20 0 CAADLO O=C(C[N@H+]1C[C@H](CO)[C@H](CO)C1)Nc1cccnn1 ZINC001333197556 885464192 /nfs/dbraw/zinc/46/41/92/885464192.db2.gz HOBHOMMAFQNIBA-AOOOYVTPSA-N 1 2 266.301 -1.052 20 0 CAADLO O=C(C[N@@H+]1C[C@H](CO)[C@H](CO)C1)Nc1cccnn1 ZINC001333197556 885464195 /nfs/dbraw/zinc/46/41/95/885464195.db2.gz HOBHOMMAFQNIBA-AOOOYVTPSA-N 1 2 266.301 -1.052 20 0 CAADLO C[N@@H+]1CCN(C(=O)CO[C@@H]2CCOC2)[C@@H](CO)C1 ZINC001333409638 885476986 /nfs/dbraw/zinc/47/69/86/885476986.db2.gz OUZRIBUVTGESSW-GHMZBOCLSA-N 1 2 258.318 -1.073 20 0 CAADLO C[N@H+]1CCN(C(=O)CO[C@@H]2CCOC2)[C@@H](CO)C1 ZINC001333409638 885476994 /nfs/dbraw/zinc/47/69/94/885476994.db2.gz OUZRIBUVTGESSW-GHMZBOCLSA-N 1 2 258.318 -1.073 20 0 CAADLO C[N@@H+]1CCN(C(=O)CO[C@H]2CCOC2)[C@H](CO)C1 ZINC001333409650 885477611 /nfs/dbraw/zinc/47/76/11/885477611.db2.gz OUZRIBUVTGESSW-QWRGUYRKSA-N 1 2 258.318 -1.073 20 0 CAADLO C[N@H+]1CCN(C(=O)CO[C@H]2CCOC2)[C@H](CO)C1 ZINC001333409650 885477620 /nfs/dbraw/zinc/47/76/20/885477620.db2.gz OUZRIBUVTGESSW-QWRGUYRKSA-N 1 2 258.318 -1.073 20 0 CAADLO O=C(C[N@H+]1CC[C@@H](O)[C@@H](O)C1)NC[C@@H]1CCCO1 ZINC001333441671 885481204 /nfs/dbraw/zinc/48/12/04/885481204.db2.gz FNTATCNYQDUBRT-AXFHLTTASA-N 1 2 258.318 -1.291 20 0 CAADLO O=C(C[N@@H+]1CC[C@@H](O)[C@@H](O)C1)NC[C@@H]1CCCO1 ZINC001333441671 885481215 /nfs/dbraw/zinc/48/12/15/885481215.db2.gz FNTATCNYQDUBRT-AXFHLTTASA-N 1 2 258.318 -1.291 20 0 CAADLO COCCOC[C@@H](O)C[N@@H+]1CCC(=O)NCC12COC2 ZINC001333490651 885484605 /nfs/dbraw/zinc/48/46/05/885484605.db2.gz LCSOTNKDJSSMCY-NSHDSACASA-N 1 2 288.344 -1.399 20 0 CAADLO COCCOC[C@@H](O)C[N@H+]1CCC(=O)NCC12COC2 ZINC001333490651 885484617 /nfs/dbraw/zinc/48/46/17/885484617.db2.gz LCSOTNKDJSSMCY-NSHDSACASA-N 1 2 288.344 -1.399 20 0 CAADLO NC(=O)CN1CC[N@H+](C[C@@H]2CNC(=O)C2)CC1=O ZINC001333605277 885492872 /nfs/dbraw/zinc/49/28/72/885492872.db2.gz LMKUYQOMXFUNSJ-QMMMGPOBSA-N 1 2 254.290 -2.248 20 0 CAADLO NC(=O)C(=O)NC1CC(CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001333771585 885506533 /nfs/dbraw/zinc/50/65/33/885506533.db2.gz FJXKXDXEOATMRB-UHFFFAOYSA-N 1 2 293.327 -1.161 20 0 CAADLO NC(=O)C(=O)NC1CC(CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001333771585 885506542 /nfs/dbraw/zinc/50/65/42/885506542.db2.gz FJXKXDXEOATMRB-UHFFFAOYSA-N 1 2 293.327 -1.161 20 0 CAADLO O=C1NC[C@@H]2C[N@H+](C[C@@H]3COCCO3)CCN2C1=O ZINC001333836617 885507841 /nfs/dbraw/zinc/50/78/41/885507841.db2.gz PSOUSSUNIRPEEE-NXEZZACHSA-N 1 2 269.301 -1.956 20 0 CAADLO O=C1NC[C@@H]2C[N@@H+](C[C@@H]3COCCO3)CCN2C1=O ZINC001333836617 885507852 /nfs/dbraw/zinc/50/78/52/885507852.db2.gz PSOUSSUNIRPEEE-NXEZZACHSA-N 1 2 269.301 -1.956 20 0 CAADLO O=C1NC(=O)N2CC[N@H+](C[C@@H]3COCCO3)C[C@@H]12 ZINC001333874951 885509500 /nfs/dbraw/zinc/50/95/00/885509500.db2.gz VMBXLDUPLXMGKO-BDAKNGLRSA-N 1 2 255.274 -1.362 20 0 CAADLO O=C1NC(=O)N2CC[N@@H+](C[C@@H]3COCCO3)C[C@@H]12 ZINC001333874951 885509513 /nfs/dbraw/zinc/50/95/13/885509513.db2.gz VMBXLDUPLXMGKO-BDAKNGLRSA-N 1 2 255.274 -1.362 20 0 CAADLO C[C@@H](NC(=O)C(N)=O)[C@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001333950183 885512927 /nfs/dbraw/zinc/51/29/27/885512927.db2.gz GJDWUXDACBXVLF-NKWVEPMBSA-N 1 2 267.289 -1.553 20 0 CAADLO C[C@@H](NC(=O)Cc1[nH]cc[nH+]1)[C@H](C)NC(=O)C(N)=O ZINC001333950185 885513672 /nfs/dbraw/zinc/51/36/72/885513672.db2.gz GJDWUXDACBXVLF-RQJHMYQMSA-N 1 2 267.289 -1.553 20 0 CAADLO CC[NH+]1CCN(C(=O)C(=O)NC[C@H](F)C(=O)OC)CC1 ZINC001333977391 885515694 /nfs/dbraw/zinc/51/56/94/885515694.db2.gz DRPYAKVGRIEGKS-VIFPVBQESA-N 1 2 289.307 -1.222 20 0 CAADLO O=C(C[C@@H]1CC(=O)NC1=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC001333972287 885517631 /nfs/dbraw/zinc/51/76/31/885517631.db2.gz LKVLHPBZPQBMMX-SFYZADRCSA-N 1 2 262.269 -1.023 20 0 CAADLO C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)N[C@H]1CCNC1=O ZINC001334019648 885519180 /nfs/dbraw/zinc/51/91/80/885519180.db2.gz ZLKFFLGONXXITJ-BDAKNGLRSA-N 1 2 279.300 -1.608 20 0 CAADLO Cn1cnc(C(=O)N2CC[N@H+](C)[C@@H](CO)C2)cc1=O ZINC001334235260 885532615 /nfs/dbraw/zinc/53/26/15/885532615.db2.gz PNGUOUCHKKZQAR-SECBINFHSA-N 1 2 266.301 -1.471 20 0 CAADLO Cn1cnc(C(=O)N2CC[N@@H+](C)[C@@H](CO)C2)cc1=O ZINC001334235260 885532629 /nfs/dbraw/zinc/53/26/29/885532629.db2.gz PNGUOUCHKKZQAR-SECBINFHSA-N 1 2 266.301 -1.471 20 0 CAADLO COC(=O)COCC(=O)N1CC[N@H+](C)[C@H](CO)C1 ZINC001334252827 885532673 /nfs/dbraw/zinc/53/26/73/885532673.db2.gz MUJQIBJFLLETCY-VIFPVBQESA-N 1 2 260.290 -1.689 20 0 CAADLO COC(=O)COCC(=O)N1CC[N@@H+](C)[C@H](CO)C1 ZINC001334252827 885532687 /nfs/dbraw/zinc/53/26/87/885532687.db2.gz MUJQIBJFLLETCY-VIFPVBQESA-N 1 2 260.290 -1.689 20 0 CAADLO C[C@@H]1C[N@H+](CCNC(=O)CN2C(=O)CNC2=O)[C@H](C)CO1 ZINC001334500010 885550435 /nfs/dbraw/zinc/55/04/35/885550435.db2.gz PEBPKCFZGRHQTE-NXEZZACHSA-N 1 2 298.343 -1.236 20 0 CAADLO C[C@@H]1C[N@@H+](CCNC(=O)CN2C(=O)CNC2=O)[C@H](C)CO1 ZINC001334500010 885550447 /nfs/dbraw/zinc/55/04/47/885550447.db2.gz PEBPKCFZGRHQTE-NXEZZACHSA-N 1 2 298.343 -1.236 20 0 CAADLO C[C@@H](C(=O)NCCOCCS(N)(=O)=O)n1cc[nH+]c1 ZINC001334722863 885560630 /nfs/dbraw/zinc/56/06/30/885560630.db2.gz KGHLUKQMVWBFJP-VIFPVBQESA-N 1 2 290.345 -1.135 20 0 CAADLO CN(CCNS(C)(=O)=O)C(=O)Cc1c[nH+]c[nH]1 ZINC001334764015 885563956 /nfs/dbraw/zinc/56/39/56/885563956.db2.gz PPVZMCAEKQYTTB-UHFFFAOYSA-N 1 2 260.319 -1.040 20 0 CAADLO CNS(=O)(=O)CC(=O)NCCc1cn(C)c[nH+]1 ZINC001334802028 885565089 /nfs/dbraw/zinc/56/50/89/885565089.db2.gz CEVQKJHPZHPTIG-UHFFFAOYSA-N 1 2 260.319 -1.372 20 0 CAADLO CNC(=O)C(=O)NCC[N@@H+]1CCC2(C1)OCCO2 ZINC001334814083 885567327 /nfs/dbraw/zinc/56/73/27/885567327.db2.gz SMUJFJZTZMMLPE-UHFFFAOYSA-N 1 2 257.290 -1.703 20 0 CAADLO CNC(=O)C(=O)NCC[N@H+]1CCC2(C1)OCCO2 ZINC001334814083 885567341 /nfs/dbraw/zinc/56/73/41/885567341.db2.gz SMUJFJZTZMMLPE-UHFFFAOYSA-N 1 2 257.290 -1.703 20 0 CAADLO NS(=O)(=O)NC1CN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001335058667 885578991 /nfs/dbraw/zinc/57/89/91/885578991.db2.gz BOJRWSIOPFATPY-UHFFFAOYSA-N 1 2 259.291 -2.044 20 0 CAADLO C[C@H](CN1C(=O)N[C@H](C[NH+](C)C)C1=O)S(C)(=O)=O ZINC001335254903 885604013 /nfs/dbraw/zinc/60/40/13/885604013.db2.gz YPLMRLRCOHJBKY-HTQZYQBOSA-N 1 2 277.346 -1.099 20 0 CAADLO CCC[N@H+](C)CC(=O)NC[C@H](O)CS(C)(=O)=O ZINC001335311197 885610026 /nfs/dbraw/zinc/61/00/26/885610026.db2.gz SHXURIHVUFKCFV-VIFPVBQESA-N 1 2 266.363 -1.150 20 0 CAADLO CCC[N@@H+](C)CC(=O)NC[C@H](O)CS(C)(=O)=O ZINC001335311197 885610029 /nfs/dbraw/zinc/61/00/29/885610029.db2.gz SHXURIHVUFKCFV-VIFPVBQESA-N 1 2 266.363 -1.150 20 0 CAADLO C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@@H]1CNOC1 ZINC001335376047 885615432 /nfs/dbraw/zinc/61/54/32/885615432.db2.gz REYKOFXIRXOEDK-NXEZZACHSA-N 1 2 258.322 -1.090 20 0 CAADLO COC1(C(=O)N2CC([NH+](C)C)C2)CS(=O)(=O)C1 ZINC001335517160 885621037 /nfs/dbraw/zinc/62/10/37/885621037.db2.gz POJFEQOKRZLBED-UHFFFAOYSA-N 1 2 262.331 -1.428 20 0 CAADLO Cc1nnc(CC[N@@H+]2CCN3C(=O)C(=O)NC[C@H]3C2)o1 ZINC001335555952 885624649 /nfs/dbraw/zinc/62/46/49/885624649.db2.gz PNFZRRXYEORHFN-VIFPVBQESA-N 1 2 279.300 -1.437 20 0 CAADLO Cc1nnc(CC[N@H+]2CCN3C(=O)C(=O)NC[C@H]3C2)o1 ZINC001335555952 885624664 /nfs/dbraw/zinc/62/46/64/885624664.db2.gz PNFZRRXYEORHFN-VIFPVBQESA-N 1 2 279.300 -1.437 20 0 CAADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)N[C@H]1CNOC1 ZINC001335930115 885640436 /nfs/dbraw/zinc/64/04/36/885640436.db2.gz REYKOFXIRXOEDK-UWVGGRQHSA-N 1 2 258.322 -1.090 20 0 CAADLO Cn1nnc(NC(=O)C[NH+]2CCC(CO)CC2)n1 ZINC001335992293 885642934 /nfs/dbraw/zinc/64/29/34/885642934.db2.gz DRKARAWKWVHKAZ-UHFFFAOYSA-N 1 2 254.294 -1.147 20 0 CAADLO C[N@H+]1CC[C@](O)(C[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)C1 ZINC001336000070 885643177 /nfs/dbraw/zinc/64/31/77/885643177.db2.gz JKBQWWPTJQVGDP-KBPBESRZSA-N 1 2 286.420 -1.749 20 0 CAADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)N1CCCNC(=O)C1 ZINC001336259659 885653725 /nfs/dbraw/zinc/65/37/25/885653725.db2.gz SSLFAZZBHCOAJK-JTQLQIEISA-N 1 2 293.327 -1.264 20 0 CAADLO C[C@H](CCCNC(=O)C(N)=O)NC(=O)Cc1c[nH]c[nH+]1 ZINC001336392132 885658908 /nfs/dbraw/zinc/65/89/08/885658908.db2.gz CGYQDTLXXAGILY-MRVPVSSYSA-N 1 2 281.316 -1.161 20 0 CAADLO C[NH+]1CCN(C(=O)C(=O)N2CC(N3CCCC3=O)C2)CC1 ZINC001336523156 885662016 /nfs/dbraw/zinc/66/20/16/885662016.db2.gz UUXRWQMRHKQBGG-UHFFFAOYSA-N 1 2 294.355 -1.406 20 0 CAADLO C[C@H]1COCC[N@@H+]1CCNC(=O)N[C@H]1CNOC1 ZINC001336805328 885684103 /nfs/dbraw/zinc/68/41/03/885684103.db2.gz SKPDJANGSTYVQP-UWVGGRQHSA-N 1 2 258.322 -1.090 20 0 CAADLO C[C@H]1COCC[N@H+]1CCNC(=O)N[C@H]1CNOC1 ZINC001336805328 885684108 /nfs/dbraw/zinc/68/41/08/885684108.db2.gz SKPDJANGSTYVQP-UWVGGRQHSA-N 1 2 258.322 -1.090 20 0 CAADLO C[N@H+](CCO)Cc1cn(CC(=O)NC2CC2)nn1 ZINC001336879731 885684221 /nfs/dbraw/zinc/68/42/21/885684221.db2.gz VVQNKJULQPGFFM-UHFFFAOYSA-N 1 2 253.306 -1.019 20 0 CAADLO O=C1CC[N@H+](CCn2cnnn2)C2(COC2)CN1 ZINC001336859527 885685319 /nfs/dbraw/zinc/68/53/19/885685319.db2.gz VJYUPXUBHLNPQS-UHFFFAOYSA-N 1 2 252.278 -1.736 20 0 CAADLO O=C1CC[N@@H+](CCn2cnnn2)C2(COC2)CN1 ZINC001336859527 885685327 /nfs/dbraw/zinc/68/53/27/885685327.db2.gz VJYUPXUBHLNPQS-UHFFFAOYSA-N 1 2 252.278 -1.736 20 0 CAADLO NC(=O)C(=O)NCCCOCCNC(=O)Cc1c[nH]c[nH+]1 ZINC001336852405 885684637 /nfs/dbraw/zinc/68/46/37/885684637.db2.gz VOLHRARPDFNZAB-UHFFFAOYSA-N 1 2 297.315 -1.923 20 0 CAADLO C[C@H](CN(C)C(=O)CCc1[nH+]ccn1C)NC(=O)C(N)=O ZINC001337362570 885699148 /nfs/dbraw/zinc/69/91/48/885699148.db2.gz AABCCBVELMOPCL-SECBINFHSA-N 1 2 295.343 -1.199 20 0 CAADLO CCNC(=O)CC(=O)NC[C@H]1CN(C)CC[N@@H+]1C ZINC001337484042 885700770 /nfs/dbraw/zinc/70/07/70/885700770.db2.gz YQKKLPLTYOFOPS-JTQLQIEISA-N 1 2 256.350 -1.125 20 0 CAADLO CCNC(=O)CC(=O)NC[C@H]1CN(C)CC[N@H+]1C ZINC001337484042 885700793 /nfs/dbraw/zinc/70/07/93/885700793.db2.gz YQKKLPLTYOFOPS-JTQLQIEISA-N 1 2 256.350 -1.125 20 0 CAADLO C[C@H](NC(=O)[C@H]1C[N@H+](C)CCO1)c1nnnn1C ZINC001337435875 885702330 /nfs/dbraw/zinc/70/23/30/885702330.db2.gz ZKYNGDVLRIWTSA-JGVFFNPUSA-N 1 2 254.294 -1.282 20 0 CAADLO C[C@H](NC(=O)[C@H]1C[N@@H+](C)CCO1)c1nnnn1C ZINC001337435875 885702339 /nfs/dbraw/zinc/70/23/39/885702339.db2.gz ZKYNGDVLRIWTSA-JGVFFNPUSA-N 1 2 254.294 -1.282 20 0 CAADLO C[C@@H](NC(=O)[C@H]1C[N@H+](C)CCO1)c1nnnn1C ZINC001337435874 885703005 /nfs/dbraw/zinc/70/30/05/885703005.db2.gz ZKYNGDVLRIWTSA-HTQZYQBOSA-N 1 2 254.294 -1.282 20 0 CAADLO C[C@@H](NC(=O)[C@H]1C[N@@H+](C)CCO1)c1nnnn1C ZINC001337435874 885703015 /nfs/dbraw/zinc/70/30/15/885703015.db2.gz ZKYNGDVLRIWTSA-HTQZYQBOSA-N 1 2 254.294 -1.282 20 0 CAADLO C[C@H](NC(=O)[C@@H]1C[N@H+](C)CCO1)c1nnnn1C ZINC001337435878 885703347 /nfs/dbraw/zinc/70/33/47/885703347.db2.gz ZKYNGDVLRIWTSA-YUMQZZPRSA-N 1 2 254.294 -1.282 20 0 CAADLO C[C@H](NC(=O)[C@@H]1C[N@@H+](C)CCO1)c1nnnn1C ZINC001337435878 885703359 /nfs/dbraw/zinc/70/33/59/885703359.db2.gz ZKYNGDVLRIWTSA-YUMQZZPRSA-N 1 2 254.294 -1.282 20 0 CAADLO C[C@H](NC(=O)c1nnn(C)n1)[C@@H]1C[N@H+](C)CCO1 ZINC001337637828 885716312 /nfs/dbraw/zinc/71/63/12/885716312.db2.gz ROOXLLNUPVSGNO-YUMQZZPRSA-N 1 2 254.294 -1.341 20 0 CAADLO C[C@H](NC(=O)c1nnn(C)n1)[C@@H]1C[N@@H+](C)CCO1 ZINC001337637828 885716317 /nfs/dbraw/zinc/71/63/17/885716317.db2.gz ROOXLLNUPVSGNO-YUMQZZPRSA-N 1 2 254.294 -1.341 20 0 CAADLO NC(=O)C(=O)NC[C@@H](CO)NC(=O)CCn1cc[nH+]c1 ZINC001337839762 885725191 /nfs/dbraw/zinc/72/51/91/885725191.db2.gz MPDVTLCVXIXKLO-QMMMGPOBSA-N 1 2 283.288 -2.648 20 0 CAADLO CC(=O)N(C)C[C@@H](O)CNC(=O)Cc1c[nH+]cn1C ZINC001338416469 885743655 /nfs/dbraw/zinc/74/36/55/885743655.db2.gz MAGURDCPGCAYRI-NSHDSACASA-N 1 2 268.317 -1.082 20 0 CAADLO CN(C[C@@H](O)CNC(=O)CCn1cc[nH+]c1)C(=O)C(N)=O ZINC001338595587 885749644 /nfs/dbraw/zinc/74/96/44/885749644.db2.gz ODROZBHQFYPROX-VIFPVBQESA-N 1 2 297.315 -2.306 20 0 CAADLO C[N@@H+]1C[C@@H](O)C[C@]1(C)C(=O)NCCc1nc[nH]n1 ZINC001339085421 885762600 /nfs/dbraw/zinc/76/26/00/885762600.db2.gz CYQBRKYBYQWCBW-GZMMTYOYSA-N 1 2 253.306 -1.082 20 0 CAADLO C[N@H+]1C[C@@H](O)C[C@]1(C)C(=O)NCCc1nc[nH]n1 ZINC001339085421 885762607 /nfs/dbraw/zinc/76/26/07/885762607.db2.gz CYQBRKYBYQWCBW-GZMMTYOYSA-N 1 2 253.306 -1.082 20 0 CAADLO C[C@H](NC(=O)[C@H]1CC(=O)N1)[C@H]1CN(C)CC[N@@H+]1C ZINC001339088512 885765543 /nfs/dbraw/zinc/76/55/43/885765543.db2.gz WGEYYNMCUNEGAA-IVZWLZJFSA-N 1 2 254.334 -1.375 20 0 CAADLO C[C@H](NC(=O)[C@H]1CC(=O)N1)[C@H]1CN(C)CC[N@H+]1C ZINC001339088512 885765559 /nfs/dbraw/zinc/76/55/59/885765559.db2.gz WGEYYNMCUNEGAA-IVZWLZJFSA-N 1 2 254.334 -1.375 20 0 CAADLO O=C(CCc1c[nH]c[nH+]1)NCCN1CCNC(=O)C1 ZINC001339619026 885772954 /nfs/dbraw/zinc/77/29/54/885772954.db2.gz VFQFBOJSEHFDNT-UHFFFAOYSA-N 1 2 265.317 -1.110 20 0 CAADLO O=C(CCc1c[nH+]c[nH]1)NCCN1CCNC(=O)C1 ZINC001339619026 885772963 /nfs/dbraw/zinc/77/29/63/885772963.db2.gz VFQFBOJSEHFDNT-UHFFFAOYSA-N 1 2 265.317 -1.110 20 0 CAADLO NC(=O)C(=O)N1CCO[C@H](C[NH+]2CCOCC2)C1 ZINC001339700693 885777036 /nfs/dbraw/zinc/77/70/36/885777036.db2.gz JLCZXXJTRLPDLL-SECBINFHSA-N 1 2 257.290 -1.969 20 0 CAADLO CN1C[C@@H](C(=O)NCCn2cc[nH+]c2)NCC1=O ZINC001340140416 885794113 /nfs/dbraw/zinc/79/41/13/885794113.db2.gz SWAULCYTPSIHRP-VIFPVBQESA-N 1 2 251.290 -1.571 20 0 CAADLO CN1C[C@H](C(=O)NCCn2cc[nH+]c2)NCC1=O ZINC001340140415 885794357 /nfs/dbraw/zinc/79/43/57/885794357.db2.gz SWAULCYTPSIHRP-SECBINFHSA-N 1 2 251.290 -1.571 20 0 CAADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1CN(C)C(=O)CN1 ZINC001340171065 885794632 /nfs/dbraw/zinc/79/46/32/885794632.db2.gz AGQDOXBZCOKVEH-UWVGGRQHSA-N 1 2 265.317 -1.182 20 0 CAADLO NC(=O)[C@H]1CN(C(=O)C(=O)NCCn2cc[nH+]c2)CCO1 ZINC001340228049 885798220 /nfs/dbraw/zinc/79/82/20/885798220.db2.gz UNRGQXAMOVFFBK-SECBINFHSA-N 1 2 295.299 -2.288 20 0 CAADLO COC(=O)N1CC(NC(=O)C(=O)NCCn2cc[nH+]c2)C1 ZINC001340227497 885799529 /nfs/dbraw/zinc/79/95/29/885799529.db2.gz NRGCSJCGVTWTGU-UHFFFAOYSA-N 1 2 295.299 -1.434 20 0 CAADLO CC[S@@](=O)CCNC(=O)C(=O)NCCn1cc[nH+]c1 ZINC001340228031 885800123 /nfs/dbraw/zinc/80/01/23/885800123.db2.gz UFAROBUBGXWMNZ-LJQANCHMSA-N 1 2 286.357 -1.116 20 0 CAADLO C[C@@H]([NH3+])CONC(=O)CSCC(=O)N1CCOCC1 ZINC001340458218 885801775 /nfs/dbraw/zinc/80/17/75/885801775.db2.gz ZADDITQXHAWXQR-SECBINFHSA-N 1 2 291.373 -1.027 20 0 CAADLO CC(C)NC(=O)C[N@H+](C)CC(=O)[N-]OC[C@H](C)[NH3+] ZINC001341216565 885830805 /nfs/dbraw/zinc/83/08/05/885830805.db2.gz AFTIBEOHBIISNS-VIFPVBQESA-N 1 2 260.338 -1.162 20 0 CAADLO CC(C)NC(=O)C[N@@H+](C)CC(=O)[N-]OC[C@H](C)[NH3+] ZINC001341216565 885830825 /nfs/dbraw/zinc/83/08/25/885830825.db2.gz AFTIBEOHBIISNS-VIFPVBQESA-N 1 2 260.338 -1.162 20 0 CAADLO CC(C)NC(=O)C[N@H+](C)CC(=O)[N-]OC[C@@H](C)[NH3+] ZINC001341216559 885832391 /nfs/dbraw/zinc/83/23/91/885832391.db2.gz AFTIBEOHBIISNS-SECBINFHSA-N 1 2 260.338 -1.162 20 0 CAADLO CC(C)NC(=O)C[N@@H+](C)CC(=O)[N-]OC[C@@H](C)[NH3+] ZINC001341216559 885832403 /nfs/dbraw/zinc/83/24/03/885832403.db2.gz AFTIBEOHBIISNS-SECBINFHSA-N 1 2 260.338 -1.162 20 0 CAADLO NS(=O)(=O)CCC[N@@H+]1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC001340539492 885805366 /nfs/dbraw/zinc/80/53/66/885805366.db2.gz FDQQQJZMHXBPCH-MRVPVSSYSA-N 1 2 290.345 -2.692 20 0 CAADLO NS(=O)(=O)CCC[N@H+]1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC001340539492 885805380 /nfs/dbraw/zinc/80/53/80/885805380.db2.gz FDQQQJZMHXBPCH-MRVPVSSYSA-N 1 2 290.345 -2.692 20 0 CAADLO NS(=O)(=O)CCC[N@@H+]1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC001340539517 885806660 /nfs/dbraw/zinc/80/66/60/885806660.db2.gz FDQQQJZMHXBPCH-QMMMGPOBSA-N 1 2 290.345 -2.692 20 0 CAADLO NS(=O)(=O)CCC[N@H+]1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC001340539517 885806679 /nfs/dbraw/zinc/80/66/79/885806679.db2.gz FDQQQJZMHXBPCH-QMMMGPOBSA-N 1 2 290.345 -2.692 20 0 CAADLO C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)N(C)CCO ZINC001340660183 885810472 /nfs/dbraw/zinc/81/04/72/885810472.db2.gz RUCOTUVCYNCWAY-SECBINFHSA-N 1 2 254.290 -1.162 20 0 CAADLO C[C@@H](C(=O)N1CC[C@](O)(C(N)=O)C1)n1cc[nH+]c1 ZINC001341031723 885823095 /nfs/dbraw/zinc/82/30/95/885823095.db2.gz QUYAYBFKYDFGMH-GZMMTYOYSA-N 1 2 252.274 -1.107 20 0 CAADLO C[C@@H](C(=O)NCCO[C@@H]1CCOC1)N1CC[NH2+]CC1=O ZINC001341327733 885833625 /nfs/dbraw/zinc/83/36/25/885833625.db2.gz MUJTWPQZOJYSIL-WDEREUQCSA-N 1 2 285.344 -1.272 20 0 CAADLO O=C(CN1CC[NH2+]CC1=O)N[C@@H]1COC[C@H]1C1CC1 ZINC001341500233 885842521 /nfs/dbraw/zinc/84/25/21/885842521.db2.gz SSBBQTFKJOZXBW-WDEREUQCSA-N 1 2 267.329 -1.041 20 0 CAADLO O=C([O-])[C@@]1(C(=O)N2CC[NH+](C3CC3)CC2)C[NH2+]CCO1 ZINC001341645079 885851222 /nfs/dbraw/zinc/85/12/22/885851222.db2.gz KIGDZERQCBSYGQ-ZDUSSCGKSA-N 1 2 283.328 -1.264 20 0 CAADLO O=C1NC(=O)N2CC[N@H+](CCN3CCOCC3)C[C@H]12 ZINC001341944249 885865302 /nfs/dbraw/zinc/86/53/02/885865302.db2.gz HMOOPTIRWZPQOP-SNVBAGLBSA-N 1 2 268.317 -1.445 20 0 CAADLO O=C1NC(=O)N2CC[N@@H+](CCN3CCOCC3)C[C@H]12 ZINC001341944249 885865319 /nfs/dbraw/zinc/86/53/19/885865319.db2.gz HMOOPTIRWZPQOP-SNVBAGLBSA-N 1 2 268.317 -1.445 20 0 CAADLO O=C1NC(=O)N2CCN(CC[NH+]3CCOCC3)C[C@H]12 ZINC001341944249 885865332 /nfs/dbraw/zinc/86/53/32/885865332.db2.gz HMOOPTIRWZPQOP-SNVBAGLBSA-N 1 2 268.317 -1.445 20 0 CAADLO C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N1CC[NH2+]C[C@@H]1CO ZINC001342357285 885884333 /nfs/dbraw/zinc/88/43/33/885884333.db2.gz LQEKWIBDYNJPLX-UTUOFQBUSA-N 1 2 268.361 -1.833 20 0 CAADLO O=C([C@@H]1CCc2[nH+]ccn2C1)N1CC2(C1)NC(=O)NC2=O ZINC001342657738 885894090 /nfs/dbraw/zinc/89/40/90/885894090.db2.gz CVUVXSDYBXNVRV-MRVPVSSYSA-N 1 2 289.295 -1.134 20 0 CAADLO CC(C)[C@@H](CNC(=O)CN1CC[NH2+]CC1=O)ON ZINC001343684815 885924390 /nfs/dbraw/zinc/92/43/90/885924390.db2.gz AOJVJTXOCMXOTN-SECBINFHSA-N 1 2 258.322 -1.551 20 0 CAADLO CN(C[C@@H]1CCN1C(=O)C(N)=O)C(=O)Cc1c[nH+]c[nH]1 ZINC001344190085 885936028 /nfs/dbraw/zinc/93/60/28/885936028.db2.gz HDATTZGOKUBYNQ-VIFPVBQESA-N 1 2 279.300 -1.503 20 0 CAADLO CN(CCOCCO)C(=O)C(=O)NCCn1cc[nH+]c1 ZINC001344840974 885950915 /nfs/dbraw/zinc/95/09/15/885950915.db2.gz BTXCMEIBILLBBA-UHFFFAOYSA-N 1 2 284.316 -1.533 20 0 CAADLO C[NH+]1CCN(C(=O)C(=O)N2CC(F)(F)C[C@H]2CO)CC1 ZINC001344965118 885951073 /nfs/dbraw/zinc/95/10/73/885951073.db2.gz SMEPCLBYTKGFRC-VIFPVBQESA-N 1 2 291.298 -1.011 20 0 CAADLO O=C(NCCn1cc[nH+]c1)C(=O)N[C@H]1CCOC1 ZINC001344841997 885951945 /nfs/dbraw/zinc/95/19/45/885951945.db2.gz JMWZBKRPMCFWTD-VIFPVBQESA-N 1 2 252.274 -1.096 20 0 CAADLO O=C(NCCCn1cc[nH+]c1)C(=O)N1CCNC(=O)CC1 ZINC001344795155 885952878 /nfs/dbraw/zinc/95/28/78/885952878.db2.gz IBBZJYNSHBCKNH-UHFFFAOYSA-N 1 2 293.327 -1.262 20 0 CAADLO O=C(NCCn1cc[nH+]c1)C(=O)N[C@@H]1CCOC1 ZINC001344841996 885953123 /nfs/dbraw/zinc/95/31/23/885953123.db2.gz JMWZBKRPMCFWTD-SECBINFHSA-N 1 2 252.274 -1.096 20 0 CAADLO CNC(=O)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC001345145281 885955070 /nfs/dbraw/zinc/95/50/70/885955070.db2.gz CSABFQKYMWHHTE-SECBINFHSA-N 1 2 259.306 -2.116 20 0 CAADLO C[C@@H]1CCN1C(=O)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC001345750870 885965443 /nfs/dbraw/zinc/96/54/43/885965443.db2.gz GPNUWEUFJSIHNO-NEPJUHHUSA-N 1 2 299.371 -1.241 20 0 CAADLO C[C@H](CNC(=O)CN1C(=O)CCC1=O)[NH+]1CCN(C)CC1 ZINC001346329658 886001028 /nfs/dbraw/zinc/00/10/28/886001028.db2.gz QHDFWHXLJUGQPN-LLVKDONJSA-N 1 2 296.371 -1.113 20 0 CAADLO C[C@@H](NC(=O)Cn1ncnn1)[C@@H](C)[NH+]1CCOCC1 ZINC001346411043 886004464 /nfs/dbraw/zinc/00/44/64/886004464.db2.gz OQUWZLINSAHJBP-NXEZZACHSA-N 1 2 268.321 -1.102 20 0 CAADLO C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NCc1n[nH]c(=O)[nH]1 ZINC001346871526 886019169 /nfs/dbraw/zinc/01/91/69/886019169.db2.gz QWISOYUHAFLAIK-HTQZYQBOSA-N 1 2 266.305 -1.485 20 0 CAADLO C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NCc1n[nH]c(=O)[nH]1 ZINC001346871526 886019182 /nfs/dbraw/zinc/01/91/82/886019182.db2.gz QWISOYUHAFLAIK-HTQZYQBOSA-N 1 2 266.305 -1.485 20 0 CAADLO C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)NCc1n[nH]c(=O)[nH]1 ZINC001346871528 886019993 /nfs/dbraw/zinc/01/99/93/886019993.db2.gz QWISOYUHAFLAIK-SFYZADRCSA-N 1 2 266.305 -1.485 20 0 CAADLO C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)NCc1n[nH]c(=O)[nH]1 ZINC001346871528 886020006 /nfs/dbraw/zinc/02/00/06/886020006.db2.gz QWISOYUHAFLAIK-SFYZADRCSA-N 1 2 266.305 -1.485 20 0 CAADLO CC[NH+]1CCN(C(=O)C(=O)NC[C@@H](COC)OC)CC1 ZINC001347209264 886033056 /nfs/dbraw/zinc/03/30/56/886033056.db2.gz IEVFPCHJRWOVNT-NSHDSACASA-N 1 2 287.360 -1.072 20 0 CAADLO C[C@H](O)C[NH+]1CCN(C(=O)c2ncn(C)n2)CC1 ZINC001347368926 886036350 /nfs/dbraw/zinc/03/63/50/886036350.db2.gz BJVDRPAUICJFQD-VIFPVBQESA-N 1 2 253.306 -1.046 20 0 CAADLO NC(=O)C[N@@H+]1CCCN(C(=O)[C@H]2CCCN2C=O)CC1 ZINC001347395415 886037029 /nfs/dbraw/zinc/03/70/29/886037029.db2.gz PCYCPVDDPYZFKL-LLVKDONJSA-N 1 2 282.344 -1.373 20 0 CAADLO NC(=O)C[N@H+]1CCCN(C(=O)[C@H]2CCCN2C=O)CC1 ZINC001347395415 886037034 /nfs/dbraw/zinc/03/70/34/886037034.db2.gz PCYCPVDDPYZFKL-LLVKDONJSA-N 1 2 282.344 -1.373 20 0 CAADLO CCOC(=O)CN(CC(N)=O)C(=O)Cc1[nH]cc[nH+]1 ZINC001347378788 886037867 /nfs/dbraw/zinc/03/78/67/886037867.db2.gz AFLZAGXUSQBHJT-UHFFFAOYSA-N 1 2 268.273 -1.171 20 0 CAADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@@H]1CCNC1=O ZINC001347654587 886047180 /nfs/dbraw/zinc/04/71/80/886047180.db2.gz HGXLPFXIBWNWEW-WDEREUQCSA-N 1 2 285.344 -1.726 20 0 CAADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@H]1CCNC1=O ZINC001347654586 886047618 /nfs/dbraw/zinc/04/76/18/886047618.db2.gz HGXLPFXIBWNWEW-QWRGUYRKSA-N 1 2 285.344 -1.726 20 0 CAADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)[C@H]1CCNC1=O ZINC001347654585 886049194 /nfs/dbraw/zinc/04/91/94/886049194.db2.gz HGXLPFXIBWNWEW-MNOVXSKESA-N 1 2 285.344 -1.726 20 0 CAADLO Cn1c[nH+]cc1CCOC(=O)CN1CCNC(=O)C1 ZINC001348128169 886061387 /nfs/dbraw/zinc/06/13/87/886061387.db2.gz JNQIUKQQUMSAJU-UHFFFAOYSA-N 1 2 266.301 -1.062 20 0 CAADLO Cn1cc(CC[N@@H+]2CCN3C(=O)NC(=O)[C@H]3C2)nn1 ZINC001348154157 886064860 /nfs/dbraw/zinc/06/48/60/886064860.db2.gz QAACIJHYSDZBKW-SECBINFHSA-N 1 2 264.289 -1.406 20 0 CAADLO Cn1cc(CC[N@H+]2CCN3C(=O)NC(=O)[C@H]3C2)nn1 ZINC001348154157 886064875 /nfs/dbraw/zinc/06/48/75/886064875.db2.gz QAACIJHYSDZBKW-SECBINFHSA-N 1 2 264.289 -1.406 20 0 CAADLO Cn1cc(CC[N@@H+]2CCO[C@@H](CC(N)=O)C2)nn1 ZINC001348248785 886065640 /nfs/dbraw/zinc/06/56/40/886065640.db2.gz QTMHFIVEIBDHGX-JTQLQIEISA-N 1 2 253.306 -1.066 20 0 CAADLO Cn1cc(CC[N@H+]2CCO[C@@H](CC(N)=O)C2)nn1 ZINC001348248785 886065646 /nfs/dbraw/zinc/06/56/46/886065646.db2.gz QTMHFIVEIBDHGX-JTQLQIEISA-N 1 2 253.306 -1.066 20 0 CAADLO Cn1cc(CC[N@@H+]2CCO[C@H](CC(N)=O)C2)nn1 ZINC001348248787 886065969 /nfs/dbraw/zinc/06/59/69/886065969.db2.gz QTMHFIVEIBDHGX-SNVBAGLBSA-N 1 2 253.306 -1.066 20 0 CAADLO Cn1cc(CC[N@H+]2CCO[C@H](CC(N)=O)C2)nn1 ZINC001348248787 886065972 /nfs/dbraw/zinc/06/59/72/886065972.db2.gz QTMHFIVEIBDHGX-SNVBAGLBSA-N 1 2 253.306 -1.066 20 0 CAADLO CC(=O)NCC(=O)NCCNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001348346278 886076271 /nfs/dbraw/zinc/07/62/71/886076271.db2.gz AWYLGMKKASCBRJ-SECBINFHSA-N 1 2 295.343 -1.043 20 0 CAADLO CC(=O)NCC(=O)NCCNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001348346278 886076280 /nfs/dbraw/zinc/07/62/80/886076280.db2.gz AWYLGMKKASCBRJ-SECBINFHSA-N 1 2 295.343 -1.043 20 0 CAADLO COCC[NH+]1CCN(C(=O)C(=O)N(C)C2CC(O)C2)CC1 ZINC001348356978 886077278 /nfs/dbraw/zinc/07/72/78/886077278.db2.gz ODAGQQLDGLMZBO-UHFFFAOYSA-N 1 2 299.371 -1.241 20 0 CAADLO COCC[NH+]1CCN(C(=O)C(=O)N2CC(F)C2)CC1 ZINC001348434361 886085279 /nfs/dbraw/zinc/08/52/79/886085279.db2.gz GGBNJPOVCDHGDP-UHFFFAOYSA-N 1 2 273.308 -1.043 20 0 CAADLO C[C@@H]1C[C@H](O)CN(C(=O)C(=O)N2CC[NH+](C)CC2)C1 ZINC001348504837 886088013 /nfs/dbraw/zinc/08/80/13/886088013.db2.gz JORYXDYDRFJJEJ-MNOVXSKESA-N 1 2 269.345 -1.010 20 0 CAADLO Cc1[nH+]c[nH]c1CC(=O)NCCNC(=O)[C@@H]1COCCO1 ZINC001348515171 886089175 /nfs/dbraw/zinc/08/91/75/886089175.db2.gz OAPKHMNXGZUPFO-NSHDSACASA-N 1 2 296.327 -1.092 20 0 CAADLO COC(=O)NCC(=O)NCCNC(=O)CCn1cc[nH+]c1 ZINC001348557480 886092391 /nfs/dbraw/zinc/09/23/91/886092391.db2.gz WVXHEYAWEBBCFS-UHFFFAOYSA-N 1 2 297.315 -1.138 20 0 CAADLO Cc1c(C(=O)NCCNC(=O)Cn2cc[nH+]c2)nnn1C ZINC001348700710 886097323 /nfs/dbraw/zinc/09/73/23/886097323.db2.gz JTGKITZOBGNUCC-UHFFFAOYSA-N 1 2 291.315 -1.134 20 0 CAADLO NC(=O)CC(=O)NCCNC(=O)Cc1c[nH]c[nH+]1 ZINC001348680109 886098827 /nfs/dbraw/zinc/09/88/27/886098827.db2.gz JGSCPOKGWBYVHV-UHFFFAOYSA-N 1 2 253.262 -1.940 20 0 CAADLO O=C(NC1CC1)C(=O)N1CCO[C@H](C[NH+]2CCOCC2)C1 ZINC001348742437 886101280 /nfs/dbraw/zinc/10/12/80/886101280.db2.gz URPNRCZVNNODFL-GFCCVEGCSA-N 1 2 297.355 -1.175 20 0 CAADLO Cc1[nH+]c[nH]c1CC(=O)NCCNC(=O)[C@@H]1COC(=O)N1 ZINC001348886576 886106807 /nfs/dbraw/zinc/10/68/07/886106807.db2.gz HICSUPSWYPIOHM-VIFPVBQESA-N 1 2 295.299 -1.399 20 0 CAADLO COCC[NH2+]CC(=O)NCCCc1n[nH]c(=O)[nH]1 ZINC001349111473 886112349 /nfs/dbraw/zinc/11/23/49/886112349.db2.gz HZNZSQNDJMZYMB-UHFFFAOYSA-N 1 2 257.294 -1.205 20 0 CAADLO C[S@@](=O)CC[N@@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC001349082719 886112947 /nfs/dbraw/zinc/11/29/47/886112947.db2.gz YRYQBWBGLJLUGS-RMLUDKJBSA-N 1 2 254.377 -1.012 20 0 CAADLO C[S@@](=O)CC[N@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC001349082719 886112950 /nfs/dbraw/zinc/11/29/50/886112950.db2.gz YRYQBWBGLJLUGS-RMLUDKJBSA-N 1 2 254.377 -1.012 20 0 CAADLO Cn1nncc1C1(O)CN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001349056337 886113435 /nfs/dbraw/zinc/11/34/35/886113435.db2.gz LXVLMVOLQZVOCO-UHFFFAOYSA-N 1 2 262.273 -1.189 20 0 CAADLO CCN(OC)C(=O)CNC(=O)C(=O)NCCn1cc[nH+]c1 ZINC001349168538 886115529 /nfs/dbraw/zinc/11/55/29/886115529.db2.gz CCMPRNQKZSAZEU-UHFFFAOYSA-N 1 2 297.315 -1.475 20 0 CAADLO Cn1cc[nH+]c1CCNC(=O)CN1CCOCC1=O ZINC001349277466 886118693 /nfs/dbraw/zinc/11/86/93/886118693.db2.gz JNUKCDQQDKQIQH-UHFFFAOYSA-N 1 2 266.301 -1.062 20 0 CAADLO Cn1c[nH+]cc1CC(=O)NCCNC(=O)c1nnn(C)n1 ZINC001349378181 886125772 /nfs/dbraw/zinc/12/57/72/886125772.db2.gz BSYCIUGPSKTZSA-UHFFFAOYSA-N 1 2 292.303 -1.968 20 0 CAADLO O=C(Cc1[nH]cc[nH+]1)NCCNC(=O)[C@@H]1CCC(=O)N1 ZINC001349422324 886128944 /nfs/dbraw/zinc/12/89/44/886128944.db2.gz MLMIPMFGZKAXJP-QMMMGPOBSA-N 1 2 279.300 -1.537 20 0 CAADLO CN1C(=O)CC[C@H]1C(=O)NCCNC(=O)Cc1[nH]cc[nH+]1 ZINC001349483180 886131348 /nfs/dbraw/zinc/13/13/48/886131348.db2.gz MFIFCIGEOUAFEB-VIFPVBQESA-N 1 2 293.327 -1.195 20 0 CAADLO NC(=O)C1(C(=O)NCCNC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001349515410 886132322 /nfs/dbraw/zinc/13/23/22/886132322.db2.gz QJOWILHZIOFYLF-UHFFFAOYSA-N 1 2 279.300 -1.550 20 0 CAADLO O=C(Cc1c[nH]c[nH+]1)NCCNC(=O)c1c[nH]c(=O)cn1 ZINC001349531540 886132778 /nfs/dbraw/zinc/13/27/78/886132778.db2.gz YNGUDKWISSVLJW-UHFFFAOYSA-N 1 2 290.283 -1.418 20 0 CAADLO COC(=O)C1(NC(=O)[C@@H](C)N2CC[NH2+]CC2=O)CC1 ZINC001349600126 886139245 /nfs/dbraw/zinc/13/92/45/886139245.db2.gz RMZUWEIYVUKZIA-MRVPVSSYSA-N 1 2 269.301 -1.372 20 0 CAADLO NS(=O)(=O)CCC[N@@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC001349635982 886141696 /nfs/dbraw/zinc/14/16/96/886141696.db2.gz FGMQZYKXWGJEDA-DTORHVGOSA-N 1 2 250.320 -1.235 20 0 CAADLO NS(=O)(=O)CCC[N@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC001349635982 886141705 /nfs/dbraw/zinc/14/17/05/886141705.db2.gz FGMQZYKXWGJEDA-DTORHVGOSA-N 1 2 250.320 -1.235 20 0 CAADLO O=C(Cc1[nH]cc[nH+]1)NCCCNC(=O)Cn1cnnn1 ZINC001349679608 886144505 /nfs/dbraw/zinc/14/45/05/886144505.db2.gz YHFPIPAZWNXKEO-UHFFFAOYSA-N 1 2 292.303 -1.739 20 0 CAADLO Cn1cnnc1N1CC[NH+](CCN2C(=O)CNC2=O)CC1 ZINC001349771361 886146434 /nfs/dbraw/zinc/14/64/34/886146434.db2.gz SMHCKEMPDRUOCA-UHFFFAOYSA-N 1 2 293.331 -1.511 20 0 CAADLO COC(=O)NCC(=O)NCCCNC(=O)Cc1c[nH]c[nH+]1 ZINC001349768186 886146829 /nfs/dbraw/zinc/14/68/29/886146829.db2.gz VVRNAFJLRMOIEO-UHFFFAOYSA-N 1 2 297.315 -1.069 20 0 CAADLO NC(=O)C(=O)NCCCNC(=O)CCn1cc[nH+]c1 ZINC001350322865 886163015 /nfs/dbraw/zinc/16/30/15/886163015.db2.gz PGCYVNJQGPVAKB-UHFFFAOYSA-N 1 2 267.289 -1.619 20 0 CAADLO NC(=O)C(=O)NCCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001350233016 886163478 /nfs/dbraw/zinc/16/34/78/886163478.db2.gz AVZMBKSPNXVLCY-HTQZYQBOSA-N 1 2 279.300 -1.379 20 0 CAADLO NC(=O)C(=O)NCCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001350233016 886163494 /nfs/dbraw/zinc/16/34/94/886163494.db2.gz AVZMBKSPNXVLCY-HTQZYQBOSA-N 1 2 279.300 -1.379 20 0 CAADLO COCC[N@H+](C[C@H](O)CO)[C@@H]1CCS(=O)(=O)C1 ZINC001351155037 886198879 /nfs/dbraw/zinc/19/88/79/886198879.db2.gz KNQRTWXDPHIREZ-ZJUUUORDSA-N 1 2 267.347 -1.525 20 0 CAADLO COCC[N@@H+](C[C@H](O)CO)[C@@H]1CCS(=O)(=O)C1 ZINC001351155037 886198886 /nfs/dbraw/zinc/19/88/86/886198886.db2.gz KNQRTWXDPHIREZ-ZJUUUORDSA-N 1 2 267.347 -1.525 20 0 CAADLO NC(=O)C(=O)NCCCNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001350385897 886170366 /nfs/dbraw/zinc/17/03/66/886170366.db2.gz FMUWDWKSOBRZBP-QMMMGPOBSA-N 1 2 293.327 -1.063 20 0 CAADLO NC(=O)C(=O)NCCCNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001350385895 886170651 /nfs/dbraw/zinc/17/06/51/886170651.db2.gz FMUWDWKSOBRZBP-MRVPVSSYSA-N 1 2 293.327 -1.063 20 0 CAADLO C/C=C\[C@H](O)C(=O)N[C@H]1CCC[N@H+](CC(N)=O)C1 ZINC001350585415 886178758 /nfs/dbraw/zinc/17/87/58/886178758.db2.gz KIEVREYYVCPUSY-JOEOVOKTSA-N 1 2 255.318 -1.011 20 0 CAADLO C/C=C\[C@H](O)C(=O)N[C@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001350585415 886178766 /nfs/dbraw/zinc/17/87/66/886178766.db2.gz KIEVREYYVCPUSY-JOEOVOKTSA-N 1 2 255.318 -1.011 20 0 CAADLO C[C@H]1COCC[N@@H+]1CCNC(=O)CCn1cnnn1 ZINC001350706041 886180624 /nfs/dbraw/zinc/18/06/24/886180624.db2.gz DLAHXKWTSVLCEP-JTQLQIEISA-N 1 2 268.321 -1.100 20 0 CAADLO C[C@H]1COCC[N@H+]1CCNC(=O)CCn1cnnn1 ZINC001350706041 886180634 /nfs/dbraw/zinc/18/06/34/886180634.db2.gz DLAHXKWTSVLCEP-JTQLQIEISA-N 1 2 268.321 -1.100 20 0 CAADLO O=C(NCCn1cc[nH+]c1)C(=O)N1CC[C@@]2(O)C[C@H]2C1 ZINC001350640255 886181039 /nfs/dbraw/zinc/18/10/39/886181039.db2.gz PCVZOLMGERDSLS-GXFFZTMASA-N 1 2 278.312 -1.017 20 0 CAADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)CCn1cnnn1 ZINC001350706043 886181425 /nfs/dbraw/zinc/18/14/25/886181425.db2.gz DLAHXKWTSVLCEP-SNVBAGLBSA-N 1 2 268.321 -1.100 20 0 CAADLO C[C@@H]1COCC[N@H+]1CCNC(=O)CCn1cnnn1 ZINC001350706043 886181428 /nfs/dbraw/zinc/18/14/28/886181428.db2.gz DLAHXKWTSVLCEP-SNVBAGLBSA-N 1 2 268.321 -1.100 20 0 CAADLO CN(C(=O)CC(N)=O)[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001350733617 886184058 /nfs/dbraw/zinc/18/40/58/886184058.db2.gz VRYHYIMJNLYDDE-VIFPVBQESA-N 1 2 293.327 -1.113 20 0 CAADLO CN(CC[NH+]1CCOCC1)C(=O)CN1C(=O)CCC1=O ZINC001350995809 886193416 /nfs/dbraw/zinc/19/34/16/886193416.db2.gz VHCRYEZNJHSESZ-UHFFFAOYSA-N 1 2 283.328 -1.074 20 0 CAADLO C[N@@H+]1CC[C@@H]1CNC(=O)C(=O)NCC[S@@](C)=O ZINC001351250394 886205705 /nfs/dbraw/zinc/20/57/05/886205705.db2.gz RFJSIOZETPGLNK-CQLKUDPESA-N 1 2 261.347 -1.699 20 0 CAADLO C[N@H+]1CC[C@@H]1CNC(=O)C(=O)NCC[S@@](C)=O ZINC001351250394 886205724 /nfs/dbraw/zinc/20/57/24/886205724.db2.gz RFJSIOZETPGLNK-CQLKUDPESA-N 1 2 261.347 -1.699 20 0 CAADLO C[C@H]1CN2CC[N@@H+]1C[C@H]2C(=O)NN1CC(=O)N(C)C1=O ZINC001351720441 886226651 /nfs/dbraw/zinc/22/66/51/886226651.db2.gz PKHJDOXZLWYJDS-IUCAKERBSA-N 1 2 281.316 -1.700 20 0 CAADLO C[C@H]1CN2CC[N@H+]1C[C@H]2C(=O)NN1CC(=O)N(C)C1=O ZINC001351720441 886226665 /nfs/dbraw/zinc/22/66/65/886226665.db2.gz PKHJDOXZLWYJDS-IUCAKERBSA-N 1 2 281.316 -1.700 20 0 CAADLO COC(=O)[C@@H](CO)NC(=O)/C=C\C[NH+]1CCOCC1 ZINC001351755353 886226703 /nfs/dbraw/zinc/22/67/03/886226703.db2.gz HIDDMQAXOLTADK-MXQLGCADSA-N 1 2 272.301 -1.475 20 0 CAADLO C[C@@H](C(=O)NC[C@@H](O)CS(C)(=O)=O)[NH+](C)C ZINC001351800742 886226857 /nfs/dbraw/zinc/22/68/57/886226857.db2.gz KMZQDAZDYZTXGD-JGVFFNPUSA-N 1 2 252.336 -1.542 20 0 CAADLO COC(=O)[C@@H](CO)NC(=O)/C=C/C[NH+]1CCOCC1 ZINC001351755356 886227031 /nfs/dbraw/zinc/22/70/31/886227031.db2.gz HIDDMQAXOLTADK-VMZHVLLKSA-N 1 2 272.301 -1.475 20 0 CAADLO O=C([C@@H]1CC(=O)N1)N1CCO[C@@H](C[NH+]2CCOCC2)C1 ZINC001352019421 886234875 /nfs/dbraw/zinc/23/48/75/886234875.db2.gz GFLBBPOQZCITFN-QWRGUYRKSA-N 1 2 283.328 -1.566 20 0 CAADLO O=C([C@H]1CC(=O)N1)N1CCO[C@@H](C[NH+]2CCOCC2)C1 ZINC001352019422 886235916 /nfs/dbraw/zinc/23/59/16/886235916.db2.gz GFLBBPOQZCITFN-WDEREUQCSA-N 1 2 283.328 -1.566 20 0 CAADLO O=C([C@H]1CC(=O)N1)N1CCO[C@H](C[NH+]2CCOCC2)C1 ZINC001352019411 886237353 /nfs/dbraw/zinc/23/73/53/886237353.db2.gz GFLBBPOQZCITFN-GHMZBOCLSA-N 1 2 283.328 -1.566 20 0 CAADLO O=C(C(=O)N1CCCNC(=O)C1)N1CCn2c[nH+]cc2C1 ZINC001352176734 886240642 /nfs/dbraw/zinc/24/06/42/886240642.db2.gz YXFUTVDKBMJXOU-UHFFFAOYSA-N 1 2 291.311 -1.426 20 0 CAADLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)Cn1ncnn1 ZINC001352646699 886243917 /nfs/dbraw/zinc/24/39/17/886243917.db2.gz HCDBHWRSTAKGOF-SNVBAGLBSA-N 1 2 268.321 -1.100 20 0 CAADLO CC[C@@H]1COCC[N@H+]1CCNC(=O)Cn1ncnn1 ZINC001352646699 886243938 /nfs/dbraw/zinc/24/39/38/886243938.db2.gz HCDBHWRSTAKGOF-SNVBAGLBSA-N 1 2 268.321 -1.100 20 0 CAADLO CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)[C@@H]1OCCN(C)C1=O ZINC001353002682 886255366 /nfs/dbraw/zinc/25/53/66/886255366.db2.gz ADVVSWJUQLZRES-VHSXEESVSA-N 1 2 299.327 -1.793 20 0 CAADLO CON(C)C(=O)C[N@H+](CC(N)=O)C1CCOCC1 ZINC001352949710 886257537 /nfs/dbraw/zinc/25/75/37/886257537.db2.gz NCQZFJMOPABZQE-UHFFFAOYSA-N 1 2 259.306 -1.028 20 0 CAADLO CON(C)C(=O)C[N@@H+](CC(N)=O)C1CCOCC1 ZINC001352949710 886257557 /nfs/dbraw/zinc/25/75/57/886257557.db2.gz NCQZFJMOPABZQE-UHFFFAOYSA-N 1 2 259.306 -1.028 20 0 CAADLO NC(=O)C(=O)NC[C@@H](NC(=O)CCc1c[nH]c[nH+]1)C1CC1 ZINC001353192378 886268294 /nfs/dbraw/zinc/26/82/94/886268294.db2.gz HCHBGKXFDIFWLL-SNVBAGLBSA-N 1 2 293.327 -1.161 20 0 CAADLO NC(=O)C(=O)NC[C@@H](NC(=O)CCc1c[nH+]c[nH]1)C1CC1 ZINC001353192378 886268311 /nfs/dbraw/zinc/26/83/11/886268311.db2.gz HCHBGKXFDIFWLL-SNVBAGLBSA-N 1 2 293.327 -1.161 20 0 CAADLO NC(=O)CC(=O)N[C@H](CNC(=O)Cc1c[nH]c[nH+]1)C1CC1 ZINC001353225888 886273640 /nfs/dbraw/zinc/27/36/40/886273640.db2.gz OLEJAOFVSMTIED-SNVBAGLBSA-N 1 2 293.327 -1.161 20 0 CAADLO CNC(=O)CC(=O)N[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001353532891 886280225 /nfs/dbraw/zinc/28/02/25/886280225.db2.gz PPZUBJSVNWQWGH-VIFPVBQESA-N 1 2 293.327 -1.195 20 0 CAADLO CN(C(=O)C[NH+]1CCC(CO)CC1)c1nn[nH]n1 ZINC001353737072 886287115 /nfs/dbraw/zinc/28/71/15/886287115.db2.gz FNRCJMJZNSRORF-UHFFFAOYSA-N 1 2 254.294 -1.133 20 0 CAADLO CN1CCC[C@H](C(=O)N[C@H]2CCC[N@H+](CC(N)=O)C2)C1=O ZINC001353888839 886294176 /nfs/dbraw/zinc/29/41/76/886294176.db2.gz XTAGNSQMJKYNLX-WDEREUQCSA-N 1 2 296.371 -1.079 20 0 CAADLO CN1CCC[C@H](C(=O)N[C@H]2CCC[N@@H+](CC(N)=O)C2)C1=O ZINC001353888839 886294192 /nfs/dbraw/zinc/29/41/92/886294192.db2.gz XTAGNSQMJKYNLX-WDEREUQCSA-N 1 2 296.371 -1.079 20 0 CAADLO C[N@@H+]1C[C@@H](O)C[C@]1(C)C(=O)NCCCS(C)(=O)=O ZINC001353876062 886294635 /nfs/dbraw/zinc/29/46/35/886294635.db2.gz KRLJJIVULSJJDC-GXSJLCMTSA-N 1 2 278.374 -1.008 20 0 CAADLO C[N@H+]1C[C@@H](O)C[C@]1(C)C(=O)NCCCS(C)(=O)=O ZINC001353876062 886294651 /nfs/dbraw/zinc/29/46/51/886294651.db2.gz KRLJJIVULSJJDC-GXSJLCMTSA-N 1 2 278.374 -1.008 20 0 CAADLO CN1CCC[C@@H](C(=O)N[C@@H]2CCC[N@H+](CC(N)=O)C2)C1=O ZINC001353888833 886295059 /nfs/dbraw/zinc/29/50/59/886295059.db2.gz XTAGNSQMJKYNLX-MNOVXSKESA-N 1 2 296.371 -1.079 20 0 CAADLO CN1CCC[C@@H](C(=O)N[C@@H]2CCC[N@@H+](CC(N)=O)C2)C1=O ZINC001353888833 886295083 /nfs/dbraw/zinc/29/50/83/886295083.db2.gz XTAGNSQMJKYNLX-MNOVXSKESA-N 1 2 296.371 -1.079 20 0 CAADLO C[C@H](CNC(=O)[C@@H]1CCc2[nH+]ccn2C1)NC(=O)C(N)=O ZINC001354504854 886312040 /nfs/dbraw/zinc/31/20/40/886312040.db2.gz FFZDUVQHMJSVGS-RKDXNWHRSA-N 1 2 293.327 -1.448 20 0 CAADLO CN1CCN(C(=O)CCc2nn[nH]n2)CC[N@@H+](C)CC1 ZINC001355158039 886332754 /nfs/dbraw/zinc/33/27/54/886332754.db2.gz INPPTRPAVVFXAU-UHFFFAOYSA-N 1 2 281.364 -1.162 20 0 CAADLO C[C@@H](C(=O)N1CC2(C1)NC(=O)NC2=O)n1cc[nH+]c1 ZINC001355165656 886338749 /nfs/dbraw/zinc/33/87/49/886338749.db2.gz QMQHNNKOYNMLRZ-ZETCQYMHSA-N 1 2 263.257 -1.136 20 0 CAADLO O=C(CN1CC[NH2+]CC1=O)N1CC[C@H](O)[C@@H](F)C1 ZINC001355571056 886344020 /nfs/dbraw/zinc/34/40/20/886344020.db2.gz KGTHWYKVQFQLDX-IUCAKERBSA-N 1 2 259.281 -1.651 20 0 CAADLO O=C(CN1CC[NH2+]CC1=O)N1CC[C@@H](O)[C@@H](F)C1 ZINC001355571052 886344519 /nfs/dbraw/zinc/34/45/19/886344519.db2.gz KGTHWYKVQFQLDX-DTWKUNHWSA-N 1 2 259.281 -1.651 20 0 CAADLO CN(CCNC(=O)C(N)=O)C(=O)CCCn1cc[nH+]c1 ZINC001355866499 886349437 /nfs/dbraw/zinc/34/94/37/886349437.db2.gz LFXNJYVZCQRFLA-UHFFFAOYSA-N 1 2 281.316 -1.277 20 0 CAADLO CC[NH+]1CCN(C(=O)C(=O)N2CC=C[C@H]2CO)CC1 ZINC001356357880 886363139 /nfs/dbraw/zinc/36/31/39/886363139.db2.gz HIPFSNUDJZDSQW-NSHDSACASA-N 1 2 267.329 -1.090 20 0 CAADLO Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@@H]1CNC(=O)C(N)=O ZINC001356394902 886364589 /nfs/dbraw/zinc/36/45/89/886364589.db2.gz OULWBIPIPOVWJJ-SECBINFHSA-N 1 2 293.327 -1.147 20 0 CAADLO CN(C[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1)C(=O)C(N)=O ZINC001356717875 886375426 /nfs/dbraw/zinc/37/54/26/886375426.db2.gz BOUPXNPOPXSKKP-SECBINFHSA-N 1 2 293.327 -1.256 20 0 CAADLO Cn1cc[nH+]c1CCC(=O)NC1CN(C(=O)C(N)=O)C1 ZINC001356782640 886382807 /nfs/dbraw/zinc/38/28/07/886382807.db2.gz BATLJELIGZCKLU-UHFFFAOYSA-N 1 2 279.300 -1.835 20 0 CAADLO CCN(C(=O)C(N)=O)[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001356860389 886386311 /nfs/dbraw/zinc/38/63/11/886386311.db2.gz FWZDRRRYFHWZNQ-VIFPVBQESA-N 1 2 293.327 -1.113 20 0 CAADLO NC(=O)C(=O)NCC1(NC(=O)Cc2c[nH]c[nH+]2)CCCC1 ZINC001356944491 886388450 /nfs/dbraw/zinc/38/84/50/886388450.db2.gz ALKAQSIHVNGCEQ-UHFFFAOYSA-N 1 2 293.327 -1.017 20 0 CAADLO CC[C@H](CNC(=O)CC(N)=O)NC(=O)Cc1c[nH+]cn1C ZINC001356875703 886390284 /nfs/dbraw/zinc/39/02/84/886390284.db2.gz WERPRLIVYCVGGB-SECBINFHSA-N 1 2 295.343 -1.151 20 0 CAADLO CC[C@@H](CNC(=O)CC(N)=O)NC(=O)Cc1c[nH]c[nH+]1 ZINC001356875592 886390725 /nfs/dbraw/zinc/39/07/25/886390725.db2.gz TXFCPDLHZOVFJC-QMMMGPOBSA-N 1 2 281.316 -1.161 20 0 CAADLO Cc1[nH+]c[nH]c1CC(=O)NC[C@H](C)CNC(=O)C(N)=O ZINC001357033806 886391393 /nfs/dbraw/zinc/39/13/93/886391393.db2.gz ZYMBCZIYHYMVNY-ZETCQYMHSA-N 1 2 281.316 -1.386 20 0 CAADLO NC(=O)CC(=O)N1CCC[C@@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001356989033 886392542 /nfs/dbraw/zinc/39/25/42/886392542.db2.gz QCOJZAGADOKDDT-SNVBAGLBSA-N 1 2 293.327 -1.134 20 0 CAADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@H](C)CNC(=O)C(N)=O ZINC001357026152 886392806 /nfs/dbraw/zinc/39/28/06/886392806.db2.gz QKSXKRJAQACYGN-DTWKUNHWSA-N 1 2 295.343 -1.058 20 0 CAADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@H](C)CNC(=O)C(N)=O ZINC001357026152 886392823 /nfs/dbraw/zinc/39/28/23/886392823.db2.gz QKSXKRJAQACYGN-DTWKUNHWSA-N 1 2 295.343 -1.058 20 0 CAADLO Cc1[nH+]c[nH]c1CC(=O)NC[C@@H](C)CNC(=O)C(N)=O ZINC001357033805 886394020 /nfs/dbraw/zinc/39/40/20/886394020.db2.gz ZYMBCZIYHYMVNY-SSDOTTSWSA-N 1 2 281.316 -1.386 20 0 CAADLO CC[NH+]1CCN(C(=O)[C@]2(C(=O)[O-])C[NH2+]CCO2)CC1 ZINC001357326881 886400131 /nfs/dbraw/zinc/40/01/31/886400131.db2.gz PDSIDFIKPYAESG-LBPRGKRZSA-N 1 2 271.317 -1.406 20 0 CAADLO NC(=O)C(=O)N[C@@H]1CCC[C@H]1CNC(=O)Cc1c[nH]c[nH+]1 ZINC001357357942 886400769 /nfs/dbraw/zinc/40/07/69/886400769.db2.gz YCVRQKALQUPWGU-WCBMZHEXSA-N 1 2 293.327 -1.161 20 0 CAADLO NC(=O)CC(=O)NC[C@H](O)CNC(=O)Cn1cc[nH+]c1 ZINC001357400501 886407147 /nfs/dbraw/zinc/40/71/47/886407147.db2.gz SNZKNMHHSNYMBJ-QMMMGPOBSA-N 1 2 283.288 -2.648 20 0 CAADLO O=C(CN1CC[NH2+]CC1=O)NCC[C@H]1CNC(=O)C1 ZINC001358202053 886421478 /nfs/dbraw/zinc/42/14/78/886421478.db2.gz KBYCYWWBWGUXHG-SECBINFHSA-N 1 2 268.317 -1.939 20 0 CAADLO COC(=O)[C@@H]1CC[C@@H]1NC(=O)CN1CC[NH2+]CC1=O ZINC001358347807 886424107 /nfs/dbraw/zinc/42/41/07/886424107.db2.gz YDWMKHHBKJMTCA-BDAKNGLRSA-N 1 2 269.301 -1.514 20 0 CAADLO C[C@@H](CNC(=O)CCCn1cc[nH+]c1)NC(=O)C(N)=O ZINC001358538933 886430481 /nfs/dbraw/zinc/43/04/81/886430481.db2.gz NZKVVIZNMRZKJO-VIFPVBQESA-N 1 2 281.316 -1.231 20 0 CAADLO C[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)NC(=O)C(N)=O ZINC001358538548 886431093 /nfs/dbraw/zinc/43/10/93/886431093.db2.gz VMNPDLLWTDHXRK-LURJTMIESA-N 1 2 253.262 -1.942 20 0 CAADLO NC(=O)CC(=O)NC[C@H]1CCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001358595439 886433944 /nfs/dbraw/zinc/43/39/44/886433944.db2.gz NUPMIWSQEDHFBX-SECBINFHSA-N 1 2 279.300 -1.455 20 0 CAADLO NC(=O)C(=O)NC[C@H]1CCN1C(=O)CCn1cc[nH+]c1 ZINC001358636185 886436764 /nfs/dbraw/zinc/43/67/64/886436764.db2.gz UUVUHNNGOBOOLR-SECBINFHSA-N 1 2 279.300 -1.524 20 0 CAADLO C[N@@H+]1CCO[C@H](C(=O)NC2(CNC(=O)C(N)=O)CC2)C1 ZINC001358689571 886440461 /nfs/dbraw/zinc/44/04/61/886440461.db2.gz WSEZBEALTBYFKK-QMMMGPOBSA-N 1 2 284.316 -2.433 20 0 CAADLO C[N@H+]1CCO[C@H](C(=O)NC2(CNC(=O)C(N)=O)CC2)C1 ZINC001358689571 886440465 /nfs/dbraw/zinc/44/04/65/886440465.db2.gz WSEZBEALTBYFKK-QMMMGPOBSA-N 1 2 284.316 -2.433 20 0 CAADLO CN(C(=O)CC(N)=O)C1CN(C(=O)CCn2cc[nH+]c2)C1 ZINC001358724074 886441861 /nfs/dbraw/zinc/44/18/61/886441861.db2.gz KKHBZGPJGWLDJR-UHFFFAOYSA-N 1 2 293.327 -1.182 20 0 CAADLO C[C@H](CC(=O)N(C)C1CN(C(=O)C(N)=O)C1)n1cc[nH+]c1 ZINC001358731419 886443279 /nfs/dbraw/zinc/44/32/79/886443279.db2.gz LIQWNYOPJUQKBG-SECBINFHSA-N 1 2 293.327 -1.011 20 0 CAADLO C[C@@]1(NC(=O)Cc2[nH]cc[nH+]2)CCN(C(=O)CC(N)=O)C1 ZINC001358803737 886443456 /nfs/dbraw/zinc/44/34/56/886443456.db2.gz GZZSYRVZRNZYTC-CYBMUJFWSA-N 1 2 293.327 -1.065 20 0 CAADLO C[C@]1(CNC(=O)Cn2cc[nH+]c2)CCN(C(=O)C(N)=O)C1 ZINC001358832707 886445757 /nfs/dbraw/zinc/44/57/57/886445757.db2.gz NXUPTSARZVCGIL-CYBMUJFWSA-N 1 2 293.327 -1.277 20 0 CAADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@]2(O)CCOC2)CC1 ZINC001361610426 886468530 /nfs/dbraw/zinc/46/85/30/886468530.db2.gz FEMJDQKGDVUUAE-AWEZNQCLSA-N 1 2 299.371 -1.192 20 0 CAADLO CCNC(=O)C[N@H+]1CCCN(C(=O)[C@]2(O)CCOC2)CC1 ZINC001361610426 886468533 /nfs/dbraw/zinc/46/85/33/886468533.db2.gz FEMJDQKGDVUUAE-AWEZNQCLSA-N 1 2 299.371 -1.192 20 0 CAADLO O=C(c1cn([C@@H]2CC[C@H]2O)nn1)N1CC[NH+](CCO)CC1 ZINC001361637749 886470715 /nfs/dbraw/zinc/47/07/15/886470715.db2.gz NYTNJYOITYDGKW-VXGBXAGGSA-N 1 2 295.343 -1.276 20 0 CAADLO CS(=O)(=O)N1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001361732620 886481773 /nfs/dbraw/zinc/48/17/73/886481773.db2.gz TXPFDQKCNQRXLJ-UHFFFAOYSA-N 1 2 272.330 -1.013 20 0 CAADLO CC(=O)N[C@@H](CC(=O)NC[C@H]1CN(C)CC[N@@H+]1C)C(N)=O ZINC001361833295 886493276 /nfs/dbraw/zinc/49/32/76/886493276.db2.gz NCCDBCBPZCDFMD-QWRGUYRKSA-N 1 2 299.375 -2.272 20 0 CAADLO CC(=O)N[C@@H](CC(=O)NC[C@H]1CN(C)CC[N@H+]1C)C(N)=O ZINC001361833295 886493284 /nfs/dbraw/zinc/49/32/84/886493284.db2.gz NCCDBCBPZCDFMD-QWRGUYRKSA-N 1 2 299.375 -2.272 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@H](NC(=O)Cc2nnc(N)s2)C1 ZINC001361928382 886506393 /nfs/dbraw/zinc/50/63/93/886506393.db2.gz AUHZDFMTJMEFNX-ZETCQYMHSA-N 1 2 298.372 -1.271 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@H](NC(=O)Cc2nnc(N)s2)C1 ZINC001361928382 886506403 /nfs/dbraw/zinc/50/64/03/886506403.db2.gz AUHZDFMTJMEFNX-ZETCQYMHSA-N 1 2 298.372 -1.271 20 0 CAADLO CC1(C)C[N@H+](CCNC(=O)Cn2nnc(N)n2)CCO1 ZINC001361980667 886511837 /nfs/dbraw/zinc/51/18/37/886511837.db2.gz ZGYBGBOZIVSHQC-UHFFFAOYSA-N 1 2 283.336 -1.518 20 0 CAADLO C[C@@H](NC(=O)Cn1nnc(N)n1)[C@@H]1CN(C)CC[N@@H+]1C ZINC001361980488 886513860 /nfs/dbraw/zinc/51/38/60/886513860.db2.gz MILCQLUJKYAVBY-BDAKNGLRSA-N 1 2 282.352 -1.994 20 0 CAADLO C[C@@H](NC(=O)Cn1nnc(N)n1)[C@@H]1CN(C)CC[N@H+]1C ZINC001361980488 886513871 /nfs/dbraw/zinc/51/38/71/886513871.db2.gz MILCQLUJKYAVBY-BDAKNGLRSA-N 1 2 282.352 -1.994 20 0 CAADLO CC(C)(CNC(=O)Cn1nnc(N)n1)[NH+]1CCOCC1 ZINC001362008514 886515222 /nfs/dbraw/zinc/51/52/22/886515222.db2.gz GLFQTVKLSQNPRZ-UHFFFAOYSA-N 1 2 283.336 -1.518 20 0 CAADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N(CC(N)=O)CC(N)=O ZINC001362036084 886518648 /nfs/dbraw/zinc/51/86/48/886518648.db2.gz BUMJSFMNJMUWSH-HTQZYQBOSA-N 1 2 279.300 -1.677 20 0 CAADLO NC(=O)CN(CC(N)=O)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001362040541 886520028 /nfs/dbraw/zinc/52/00/28/886520028.db2.gz TZNXMEPPOLOBEY-UHFFFAOYSA-N 1 2 275.268 -1.024 20 0 CAADLO CC1(C)COCC[N@@H+]1CCNC(=O)Cn1nnc(N)n1 ZINC001362034910 886520609 /nfs/dbraw/zinc/52/06/09/886520609.db2.gz HTVYWRPOEXWSCQ-UHFFFAOYSA-N 1 2 283.336 -1.518 20 0 CAADLO CC1(C)COCC[N@H+]1CCNC(=O)Cn1nnc(N)n1 ZINC001362034910 886520625 /nfs/dbraw/zinc/52/06/25/886520625.db2.gz HTVYWRPOEXWSCQ-UHFFFAOYSA-N 1 2 283.336 -1.518 20 0 CAADLO NC(=O)N[C@@H](CO)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC001362051123 886522617 /nfs/dbraw/zinc/52/26/17/886522617.db2.gz GCPRBHMYXQDLCR-JTQLQIEISA-N 1 2 295.343 -1.093 20 0 CAADLO NC(=O)N[C@H](CO)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC001362051129 886523564 /nfs/dbraw/zinc/52/35/64/886523564.db2.gz GCPRBHMYXQDLCR-SNVBAGLBSA-N 1 2 295.343 -1.093 20 0 CAADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)c1nnn(C)n1 ZINC001362067840 886525458 /nfs/dbraw/zinc/52/54/58/886525458.db2.gz JPEAAEDDUFUOIQ-VIFPVBQESA-N 1 2 284.320 -2.025 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@H](NC(=O)CC2(O)CCOCC2)C1 ZINC001362056009 886526531 /nfs/dbraw/zinc/52/65/31/886526531.db2.gz ZYIAPJXDLYZOLO-NSHDSACASA-N 1 2 299.371 -1.016 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@H](NC(=O)CC2(O)CCOCC2)C1 ZINC001362056009 886526546 /nfs/dbraw/zinc/52/65/46/886526546.db2.gz ZYIAPJXDLYZOLO-NSHDSACASA-N 1 2 299.371 -1.016 20 0 CAADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@H](CO)NC(N)=O ZINC001362065490 886526590 /nfs/dbraw/zinc/52/65/90/886526590.db2.gz KHADTGDOGQXKOF-RKDXNWHRSA-N 1 2 274.321 -2.148 20 0 CAADLO C[C@@H]1COCC[N@H+]1CCNC(=O)[C@@H](CO)NC(N)=O ZINC001362065490 886526603 /nfs/dbraw/zinc/52/66/03/886526603.db2.gz KHADTGDOGQXKOF-RKDXNWHRSA-N 1 2 274.321 -2.148 20 0 CAADLO C[C@H]1COCC[N@@H+]1CCNC(=O)[C@H](CO)NC(N)=O ZINC001362065487 886527898 /nfs/dbraw/zinc/52/78/98/886527898.db2.gz KHADTGDOGQXKOF-IUCAKERBSA-N 1 2 274.321 -2.148 20 0 CAADLO NS(=O)(=O)CCNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001362125638 886540643 /nfs/dbraw/zinc/54/06/43/886540643.db2.gz KYCVYKORUMTZEQ-MRVPVSSYSA-N 1 2 272.330 -1.150 20 0 CAADLO Nc1nnn(CC(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)n1 ZINC001362195092 886555033 /nfs/dbraw/zinc/55/50/33/886555033.db2.gz PCZNZPCIGYUUFT-SNVBAGLBSA-N 1 2 295.347 -1.422 20 0 CAADLO Cc1[nH+]c[nH]c1CNC(=O)Cn1cc(S(N)(=O)=O)cn1 ZINC001362194336 886555188 /nfs/dbraw/zinc/55/51/88/886555188.db2.gz CGOFRPVIPZMQCP-UHFFFAOYSA-N 1 2 298.328 -1.122 20 0 CAADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C1(O)COC1 ZINC001362202083 886557452 /nfs/dbraw/zinc/55/74/52/886557452.db2.gz GAGOKWHTYWBIHE-JTQLQIEISA-N 1 2 274.317 -2.101 20 0 CAADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)c1cnn(C)n1 ZINC001362206624 886558855 /nfs/dbraw/zinc/55/88/55/886558855.db2.gz CPENVLPVHYHBLJ-SNVBAGLBSA-N 1 2 283.332 -1.420 20 0 CAADLO NC(=O)CN(CC(N)=O)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001362221864 886562577 /nfs/dbraw/zinc/56/25/77/886562577.db2.gz QQQLLDIQZBFYLT-QMMMGPOBSA-N 1 2 279.300 -1.755 20 0 CAADLO NC(=O)N[C@@H](CO)C(=O)N1CC(Oc2cc[nH+]cc2)C1 ZINC001362239249 886563545 /nfs/dbraw/zinc/56/35/45/886563545.db2.gz OFYQSWTXWXFKEK-JTQLQIEISA-N 1 2 280.284 -1.300 20 0 CAADLO C[C@H](NC(=O)Cn1cnc(N)n1)[C@@H]1CN(C)CC[N@@H+]1C ZINC001362238685 886565861 /nfs/dbraw/zinc/56/58/61/886565861.db2.gz YUOHSCAZDWMTIL-UWVGGRQHSA-N 1 2 281.364 -1.389 20 0 CAADLO C[C@H](NC(=O)Cn1cnc(N)n1)[C@@H]1CN(C)CC[N@H+]1C ZINC001362238685 886565872 /nfs/dbraw/zinc/56/58/72/886565872.db2.gz YUOHSCAZDWMTIL-UWVGGRQHSA-N 1 2 281.364 -1.389 20 0 CAADLO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)[C@H](CO)NC(N)=O ZINC001362262853 886571440 /nfs/dbraw/zinc/57/14/40/886571440.db2.gz NRBVJHLJRCFSFY-UWVGGRQHSA-N 1 2 287.364 -2.232 20 0 CAADLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)[C@@H](CO)NC(N)=O ZINC001362262852 886571951 /nfs/dbraw/zinc/57/19/51/886571951.db2.gz NRBVJHLJRCFSFY-NXEZZACHSA-N 1 2 287.364 -2.232 20 0 CAADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@]1(O)CCOC1 ZINC001362311198 886583728 /nfs/dbraw/zinc/58/37/28/886583728.db2.gz REUHLZAZWWFCCH-JOYOIKCWSA-N 1 2 283.284 -1.239 20 0 CAADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@]1(O)CCOC1 ZINC001362311198 886583740 /nfs/dbraw/zinc/58/37/40/886583740.db2.gz REUHLZAZWWFCCH-JOYOIKCWSA-N 1 2 283.284 -1.239 20 0 CAADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@]1(O)CCOC1 ZINC001362311191 886585847 /nfs/dbraw/zinc/58/58/47/886585847.db2.gz REUHLZAZWWFCCH-CABZTGNLSA-N 1 2 283.284 -1.239 20 0 CAADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@]1(O)CCOC1 ZINC001362311191 886585860 /nfs/dbraw/zinc/58/58/60/886585860.db2.gz REUHLZAZWWFCCH-CABZTGNLSA-N 1 2 283.284 -1.239 20 0 CAADLO NC(=O)Cn1cc(C(=O)N[C@H]2CCn3cc[nH+]c3C2)nn1 ZINC001362370323 886600055 /nfs/dbraw/zinc/60/00/55/886600055.db2.gz VTWDUEBVWNYDJW-QMMMGPOBSA-N 1 2 289.299 -1.295 20 0 CAADLO CC(=O)N[C@@H](CC(=O)N[C@@H]1CCn2cc[nH+]c2C1)C(N)=O ZINC001362370051 886601059 /nfs/dbraw/zinc/60/10/59/886601059.db2.gz UKDPAPSZCKSMSS-ZJUUUORDSA-N 1 2 293.327 -1.306 20 0 CAADLO C[C@H]1CN(C(=O)c2nccnc2C(N)=O)CC[N@@H+]1CCO ZINC001362372998 886601176 /nfs/dbraw/zinc/60/11/76/886601176.db2.gz AZJPJIUCFWWORM-VIFPVBQESA-N 1 2 293.327 -1.286 20 0 CAADLO C[C@H]1CN(C(=O)c2nccnc2C(N)=O)CC[N@H+]1CCO ZINC001362372998 886601190 /nfs/dbraw/zinc/60/11/90/886601190.db2.gz AZJPJIUCFWWORM-VIFPVBQESA-N 1 2 293.327 -1.286 20 0 CAADLO Nc1nnn(CC(=O)N2CCC[C@H]([NH+]3CCOCC3)C2)n1 ZINC001362452814 886618114 /nfs/dbraw/zinc/61/81/14/886618114.db2.gz FKXHYFLXNHGWTE-JTQLQIEISA-N 1 2 295.347 -1.422 20 0 CAADLO CC[NH+](CC)CC(=O)NC[C@]1(O)CCS(=O)(=O)C1 ZINC001362456278 886618267 /nfs/dbraw/zinc/61/82/67/886618267.db2.gz VAGNPOBUPKXISM-LLVKDONJSA-N 1 2 278.374 -1.006 20 0 CAADLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)[C@@H](CO)NC(N)=O)C1 ZINC001362478787 886623395 /nfs/dbraw/zinc/62/33/95/886623395.db2.gz BGGDQLDMFOVLAF-DTWKUNHWSA-N 1 2 281.316 -1.235 20 0 CAADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H]1COC(=O)N1 ZINC001362485978 886627942 /nfs/dbraw/zinc/62/79/42/886627942.db2.gz UXWHBWXCPSODIN-JGVFFNPUSA-N 1 2 282.256 -1.282 20 0 CAADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H]1COC(=O)N1 ZINC001362485978 886627947 /nfs/dbraw/zinc/62/79/47/886627947.db2.gz UXWHBWXCPSODIN-JGVFFNPUSA-N 1 2 282.256 -1.282 20 0 CAADLO COC[C@H](NC(=O)[C@H](c1c[nH+]cn1C)N(C)C)C(N)=O ZINC001362502549 886629346 /nfs/dbraw/zinc/62/93/46/886629346.db2.gz RVMIADUOBOXGPJ-WPRPVWTQSA-N 1 2 283.332 -1.361 20 0 CAADLO COC[C@@H](NC(=O)[C@H](c1c[nH+]cn1C)N(C)C)C(N)=O ZINC001362502541 886630584 /nfs/dbraw/zinc/63/05/84/886630584.db2.gz RVMIADUOBOXGPJ-SCZZXKLOSA-N 1 2 283.332 -1.361 20 0 CAADLO NC(=O)Cn1cc(C(=O)N[C@@H]2Cc3c[nH+]cn3C2)nn1 ZINC001362614867 886659589 /nfs/dbraw/zinc/65/95/89/886659589.db2.gz XLHIGIZFARASJV-SSDOTTSWSA-N 1 2 275.272 -1.685 20 0 CAADLO Cn1c[nH+]cc1CCNC(=O)c1c[nH]nc1S(N)(=O)=O ZINC001362644740 886664062 /nfs/dbraw/zinc/66/40/62/886664062.db2.gz CHEBSKYHRULPIC-UHFFFAOYSA-N 1 2 298.328 -1.237 20 0 CAADLO Cn1c[nH+]cc1CCNC(=O)c1cn(CC(N)=O)nn1 ZINC001362650331 886667243 /nfs/dbraw/zinc/66/72/43/886667243.db2.gz OEDWFUHGESQZSG-UHFFFAOYSA-N 1 2 277.288 -1.531 20 0 CAADLO O=C(Cn1cnnn1)NC1CC[NH+]([C@@H]2CCOC2=O)CC1 ZINC001362660018 886669120 /nfs/dbraw/zinc/66/91/20/886669120.db2.gz AMTQZURCTHIUNM-SNVBAGLBSA-N 1 2 294.315 -1.431 20 0 CAADLO C[C@H](NS(C)(=O)=O)C(=O)N[C@@H](CO)c1c[nH+]cn1C ZINC001362717552 886684637 /nfs/dbraw/zinc/68/46/37/886684637.db2.gz HLSDXXHXJVNTEP-YUMQZZPRSA-N 1 2 290.345 -1.493 20 0 CAADLO C[C@@H](NS(C)(=O)=O)C(=O)N[C@H](CO)c1c[nH+]cn1C ZINC001362717475 886684794 /nfs/dbraw/zinc/68/47/94/886684794.db2.gz HLSDXXHXJVNTEP-HTQZYQBOSA-N 1 2 290.345 -1.493 20 0 CAADLO O=C(C[NH+]1CCC(CO)CC1)Nn1ccc(=O)[nH]c1=O ZINC001362717653 886685666 /nfs/dbraw/zinc/68/56/66/886685666.db2.gz YICSTZXJFCZCIT-UHFFFAOYSA-N 1 2 282.300 -1.277 20 0 CAADLO Cn1c[nH+]cc1[C@H](CO)NC(=O)c1nccnc1C(N)=O ZINC001362719989 886685709 /nfs/dbraw/zinc/68/57/09/886685709.db2.gz ONTUOFXYTHVBRW-ZETCQYMHSA-N 1 2 290.283 -1.228 20 0 CAADLO Cn1c[nH+]cc1[C@@H](CO)NC(=O)CN1CCC(=O)NC1=O ZINC001362719949 886686141 /nfs/dbraw/zinc/68/61/41/886686141.db2.gz OJQRNJFOYYDKJJ-MRVPVSSYSA-N 1 2 295.299 -1.488 20 0 CAADLO O=C([C@@H]1CC(=O)NC(=O)N1)N1CC[NH2+][C@H](c2cn[nH]c2)C1 ZINC001362734400 886690834 /nfs/dbraw/zinc/69/08/34/886690834.db2.gz ATKZOMPNBZVOOO-IUCAKERBSA-N 1 2 292.299 -1.519 20 0 CAADLO O=C(NC[C@]1(CO)COCC[NH2+]1)[C@H]1CCCc2n[nH]nc21 ZINC001362776237 886703120 /nfs/dbraw/zinc/70/31/20/886703120.db2.gz PCGUNQYWYYKBMV-ZANVPECISA-N 1 2 295.343 -1.308 20 0 CAADLO COc1c(=O)[nH]c(=O)[nH]c1C(=O)N1CC[N@H+](C)[C@H](CO)C1 ZINC001362771809 886703491 /nfs/dbraw/zinc/70/34/91/886703491.db2.gz RMZYOHIELBGTRT-ZETCQYMHSA-N 1 2 298.299 -1.355 20 0 CAADLO COc1c(=O)[nH]c(=O)[nH]c1C(=O)N1CC[N@@H+](C)[C@H](CO)C1 ZINC001362771809 886703498 /nfs/dbraw/zinc/70/34/98/886703498.db2.gz RMZYOHIELBGTRT-ZETCQYMHSA-N 1 2 298.299 -1.355 20 0 CAADLO O=C(NC[C@@]1(CO)COCC[NH2+]1)[C@@H]1CCCc2n[nH]nc21 ZINC001362776196 886703677 /nfs/dbraw/zinc/70/36/77/886703677.db2.gz PCGUNQYWYYKBMV-NOZJJQNGSA-N 1 2 295.343 -1.308 20 0 CAADLO C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)N[C@H](CO)Cc1cnc[nH]1 ZINC001362794510 886709913 /nfs/dbraw/zinc/70/99/13/886709913.db2.gz HYYDTAKQZXDDDS-DMDPSCGWSA-N 1 2 282.344 -1.116 20 0 CAADLO C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)N[C@H](CO)Cc1cnc[nH]1 ZINC001362794510 886709918 /nfs/dbraw/zinc/70/99/18/886709918.db2.gz HYYDTAKQZXDDDS-DMDPSCGWSA-N 1 2 282.344 -1.116 20 0 CAADLO O=C(Cn1cc[nH+]c1)NCC1(O)CCS(=O)(=O)CC1 ZINC001362808757 886711672 /nfs/dbraw/zinc/71/16/72/886711672.db2.gz AXTTXQGLWLUUEW-UHFFFAOYSA-N 1 2 287.341 -1.061 20 0 CAADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H](O)C(C)(C)O ZINC001362814025 886716575 /nfs/dbraw/zinc/71/65/75/886716575.db2.gz QWOMQFQLMKYIQD-IUCAKERBSA-N 1 2 285.300 -1.258 20 0 CAADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H](O)C(C)(C)O ZINC001362814025 886716583 /nfs/dbraw/zinc/71/65/83/886716583.db2.gz QWOMQFQLMKYIQD-IUCAKERBSA-N 1 2 285.300 -1.258 20 0 CAADLO Cn1c[nH+]cc1CC(=O)NCC1(S(N)(=O)=O)CC1 ZINC001362816404 886717144 /nfs/dbraw/zinc/71/71/44/886717144.db2.gz IUZILHVDIAMDPQ-UHFFFAOYSA-N 1 2 272.330 -1.100 20 0 CAADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CCn1cnnn1 ZINC001362830205 886723503 /nfs/dbraw/zinc/72/35/03/886723503.db2.gz GXEHHJGDJJNWJZ-VIFPVBQESA-N 1 2 292.303 -1.740 20 0 CAADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CCn1cnnn1 ZINC001362830205 886723509 /nfs/dbraw/zinc/72/35/09/886723509.db2.gz GXEHHJGDJJNWJZ-VIFPVBQESA-N 1 2 292.303 -1.740 20 0 CAADLO COC(=O)[C@@H]1CN(C(=O)CCc2nn[nH]n2)CC[N@H+](C)C1 ZINC001362884410 886733797 /nfs/dbraw/zinc/73/37/97/886733797.db2.gz GXCMASYEBJBTMH-VIFPVBQESA-N 1 2 296.331 -1.305 20 0 CAADLO CS(=O)(=O)CC(=O)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC001362876361 886735195 /nfs/dbraw/zinc/73/51/95/886735195.db2.gz UVPDSVJQFGCXQX-VHSXEESVSA-N 1 2 276.358 -1.302 20 0 CAADLO CS(=O)(=O)CC(=O)N1CC[C@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC001362876361 886735203 /nfs/dbraw/zinc/73/52/03/886735203.db2.gz UVPDSVJQFGCXQX-VHSXEESVSA-N 1 2 276.358 -1.302 20 0 CAADLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)Cn1nnc(N)n1 ZINC001362895042 886737124 /nfs/dbraw/zinc/73/71/24/886737124.db2.gz PBLGAUAEPUSKEC-NXEZZACHSA-N 1 2 295.347 -1.423 20 0 CAADLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)Cn1nnc(N)n1 ZINC001362895044 886737972 /nfs/dbraw/zinc/73/79/72/886737972.db2.gz PBLGAUAEPUSKEC-VHSXEESVSA-N 1 2 295.347 -1.423 20 0 CAADLO CC(=O)N[C@@H](CC(=O)N[C@@H]1Cc2c[nH+]cn2C1)C(N)=O ZINC001362902242 886741582 /nfs/dbraw/zinc/74/15/82/886741582.db2.gz LKJANLKDDYQCJY-SCZZXKLOSA-N 1 2 279.300 -1.696 20 0 CAADLO CC(=O)N[C@@H](CC(=O)N[C@H]1Cc2c[nH+]cn2C1)C(N)=O ZINC001362902251 886741914 /nfs/dbraw/zinc/74/19/14/886741914.db2.gz LKJANLKDDYQCJY-WPRPVWTQSA-N 1 2 279.300 -1.696 20 0 CAADLO C[C@@H](C(=O)NCC1(O)CCS(=O)(=O)CC1)[NH+](C)C ZINC001362916878 886744061 /nfs/dbraw/zinc/74/40/61/886744061.db2.gz YTOQUZIGVYIGDU-VIFPVBQESA-N 1 2 278.374 -1.008 20 0 CAADLO C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)NCCC1CS(=O)(=O)C1 ZINC001362925812 886746998 /nfs/dbraw/zinc/74/69/98/886746998.db2.gz XMAKJOAKNPBDKW-PWSUYJOCSA-N 1 2 290.385 -1.008 20 0 CAADLO C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)NCCC1CS(=O)(=O)C1 ZINC001362925812 886747005 /nfs/dbraw/zinc/74/70/05/886747005.db2.gz XMAKJOAKNPBDKW-PWSUYJOCSA-N 1 2 290.385 -1.008 20 0 CAADLO C[N@@H+]1C[C@@H](O)C[C@@]1(C)C(=O)NCCC1CS(=O)(=O)C1 ZINC001362925809 886747208 /nfs/dbraw/zinc/74/72/08/886747208.db2.gz XMAKJOAKNPBDKW-JQWIXIFHSA-N 1 2 290.385 -1.008 20 0 CAADLO C[N@H+]1C[C@@H](O)C[C@@]1(C)C(=O)NCCC1CS(=O)(=O)C1 ZINC001362925809 886747223 /nfs/dbraw/zinc/74/72/23/886747223.db2.gz XMAKJOAKNPBDKW-JQWIXIFHSA-N 1 2 290.385 -1.008 20 0 CAADLO NC(=O)c1ncn(CC(=O)N[C@@H]2CCn3cc[nH+]c3C2)n1 ZINC001362973323 886756175 /nfs/dbraw/zinc/75/61/75/886756175.db2.gz PNUGFVUJJFIDSE-MRVPVSSYSA-N 1 2 289.299 -1.295 20 0 CAADLO CNC(=O)NCCC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)OC ZINC001362988648 886760140 /nfs/dbraw/zinc/76/01/40/886760140.db2.gz UEBDZZCOWAVUBM-SECBINFHSA-N 1 2 297.315 -1.071 20 0 CAADLO CNC(=O)NCCC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)OC ZINC001362988648 886760152 /nfs/dbraw/zinc/76/01/52/886760152.db2.gz UEBDZZCOWAVUBM-SECBINFHSA-N 1 2 297.315 -1.071 20 0 CAADLO NC(=O)CN1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1=O ZINC001363019373 886770184 /nfs/dbraw/zinc/77/01/84/886770184.db2.gz MPXPXGPZHYHJCN-RKDXNWHRSA-N 1 2 291.311 -1.331 20 0 CAADLO NC(=O)CN1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1=O ZINC001363019373 886770190 /nfs/dbraw/zinc/77/01/90/886770190.db2.gz MPXPXGPZHYHJCN-RKDXNWHRSA-N 1 2 291.311 -1.331 20 0 CAADLO CC(=O)N[C@@H](CC(=O)N[C@@H]1CCn2c[nH+]cc21)C(N)=O ZINC001363045412 886776194 /nfs/dbraw/zinc/77/61/94/886776194.db2.gz GBMAYLVLHDIONF-BDAKNGLRSA-N 1 2 279.300 -1.176 20 0 CAADLO C[N@@H+]1CCN(C(=O)c2cnn(C[C@H](O)CO)c2)[C@H](CO)C1 ZINC001363039233 886777066 /nfs/dbraw/zinc/77/70/66/886777066.db2.gz IYNGUHYMBYADIF-RYUDHWBXSA-N 1 2 298.343 -2.015 20 0 CAADLO C[N@H+]1CCN(C(=O)c2cnn(C[C@H](O)CO)c2)[C@H](CO)C1 ZINC001363039233 886777074 /nfs/dbraw/zinc/77/70/74/886777074.db2.gz IYNGUHYMBYADIF-RYUDHWBXSA-N 1 2 298.343 -2.015 20 0 CAADLO CC[N@@H+]1CC[C@H]1C(=O)N1CC(=O)N(C)C[C@H]1C(=O)OC ZINC001363043021 886777133 /nfs/dbraw/zinc/77/71/33/886777133.db2.gz VIRKKIPCAORSGH-UWVGGRQHSA-N 1 2 283.328 -1.077 20 0 CAADLO CC[N@H+]1CC[C@H]1C(=O)N1CC(=O)N(C)C[C@H]1C(=O)OC ZINC001363043021 886777138 /nfs/dbraw/zinc/77/71/38/886777138.db2.gz VIRKKIPCAORSGH-UWVGGRQHSA-N 1 2 283.328 -1.077 20 0 CAADLO C[N@@H+]1CCN(C(=O)c2cnn(C[C@@H](O)CO)c2)[C@@H](CO)C1 ZINC001363039235 886777373 /nfs/dbraw/zinc/77/73/73/886777373.db2.gz IYNGUHYMBYADIF-VXGBXAGGSA-N 1 2 298.343 -2.015 20 0 CAADLO C[N@H+]1CCN(C(=O)c2cnn(C[C@@H](O)CO)c2)[C@@H](CO)C1 ZINC001363039235 886777377 /nfs/dbraw/zinc/77/73/77/886777377.db2.gz IYNGUHYMBYADIF-VXGBXAGGSA-N 1 2 298.343 -2.015 20 0 CAADLO C[C@H](CC(=O)N1C[C@H](C(N)=O)[C@H](C(N)=O)C1)n1cc[nH+]c1 ZINC001363052389 886779698 /nfs/dbraw/zinc/77/96/98/886779698.db2.gz UEESQFWIUPWRJP-BBBLOLIVSA-N 1 2 293.327 -1.121 20 0 CAADLO C[C@H](CC(=O)N1C[C@@H](C(N)=O)[C@H](C(N)=O)C1)n1cc[nH+]c1 ZINC001363052418 886779713 /nfs/dbraw/zinc/77/97/13/886779713.db2.gz UEESQFWIUPWRJP-OPRDCNLKSA-N 1 2 293.327 -1.121 20 0 CAADLO Cn1c[nH+]cc1[C@@H](CO)NC(=O)c1ccc(=O)n(C)n1 ZINC001363047263 886780368 /nfs/dbraw/zinc/78/03/68/886780368.db2.gz FWWPXRJTYRWRRX-SECBINFHSA-N 1 2 277.284 -1.023 20 0 CAADLO NS(=O)(=O)NC1CN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001363082838 886788597 /nfs/dbraw/zinc/78/85/97/886788597.db2.gz NEUUBSOSYQFHQC-MRVPVSSYSA-N 1 2 299.356 -1.551 20 0 CAADLO Cn1c[nH+]cc1[C@@H](CO)NC(=O)c1nc2n(n1)CCCN2 ZINC001363141798 886803517 /nfs/dbraw/zinc/80/35/17/886803517.db2.gz JHCKEOQQEVNLPK-MRVPVSSYSA-N 1 2 291.315 -1.452 20 0 CAADLO Cn1c[nH+]cc1CC(=O)N1C[C@H](C(N)=O)[C@@H](C(N)=O)C1 ZINC001363143282 886804060 /nfs/dbraw/zinc/80/40/60/886804060.db2.gz MHHMWPGZNWQGKN-IUCAKERBSA-N 1 2 279.300 -1.992 20 0 CAADLO Cn1c[nH+]cc1[C@@H](CO)NC(=O)C1(S(N)(=O)=O)CC1 ZINC001363144255 886805890 /nfs/dbraw/zinc/80/58/90/886805890.db2.gz OJRKMWMUAYVWBZ-SSDOTTSWSA-N 1 2 288.329 -1.609 20 0 CAADLO C[NH+](C)C[C@@H](CO)NC(=O)C[C@@H]1C=CS(=O)(=O)C1 ZINC001363152438 886807134 /nfs/dbraw/zinc/80/71/34/886807134.db2.gz ACAPSNWYFXFGNS-UWVGGRQHSA-N 1 2 276.358 -1.027 20 0 CAADLO C[NH+](C)C[C@H](CO)NC(=O)C[C@H]1C=CS(=O)(=O)C1 ZINC001363152391 886809975 /nfs/dbraw/zinc/80/99/75/886809975.db2.gz ACAPSNWYFXFGNS-NXEZZACHSA-N 1 2 276.358 -1.027 20 0 CAADLO O=C(CCCc1nn[nH]n1)NC[C@]1(CO)COCC[NH2+]1 ZINC001363177096 886815958 /nfs/dbraw/zinc/81/59/58/886815958.db2.gz OHJGADTZBCQFIR-NSHDSACASA-N 1 2 284.320 -2.011 20 0 CAADLO O=C(CCCc1nn[nH]n1)NC[C@@]1(CO)COCC[NH2+]1 ZINC001363177085 886816149 /nfs/dbraw/zinc/81/61/49/886816149.db2.gz OHJGADTZBCQFIR-LLVKDONJSA-N 1 2 284.320 -2.011 20 0 CAADLO NC(=O)CSCC(=O)N[C@H](CO)Cc1c[nH]c[nH+]1 ZINC001363195768 886821735 /nfs/dbraw/zinc/82/17/35/886821735.db2.gz LJVLMBRZWVLOFR-QMMMGPOBSA-N 1 2 272.330 -1.352 20 0 CAADLO NC(=O)CSCC(=O)N[C@H](CO)Cc1c[nH+]c[nH]1 ZINC001363195768 886821750 /nfs/dbraw/zinc/82/17/50/886821750.db2.gz LJVLMBRZWVLOFR-QMMMGPOBSA-N 1 2 272.330 -1.352 20 0 CAADLO O=C(CN1CCNC(=O)C1)N[C@H](CO)Cc1c[nH]c[nH+]1 ZINC001363194337 886824061 /nfs/dbraw/zinc/82/40/61/886824061.db2.gz DYHLQDARBLVSDV-JTQLQIEISA-N 1 2 281.316 -2.139 20 0 CAADLO O=C(CN1CCNC(=O)C1)N[C@H](CO)Cc1c[nH+]c[nH]1 ZINC001363194337 886824073 /nfs/dbraw/zinc/82/40/73/886824073.db2.gz DYHLQDARBLVSDV-JTQLQIEISA-N 1 2 281.316 -2.139 20 0 CAADLO Cn1cnc(C(=O)N[C@H](CO)Cc2c[nH]c[nH+]2)cc1=O ZINC001363196429 886828705 /nfs/dbraw/zinc/82/87/05/886828705.db2.gz MBXKMLRPZBTWHS-VIFPVBQESA-N 1 2 277.284 -1.163 20 0 CAADLO Cn1cnc(C(=O)N[C@H](CO)Cc2c[nH+]c[nH]2)cc1=O ZINC001363196429 886828707 /nfs/dbraw/zinc/82/87/07/886828707.db2.gz MBXKMLRPZBTWHS-VIFPVBQESA-N 1 2 277.284 -1.163 20 0 CAADLO COC(=O)COCC(=O)N[C@H](CO)Cc1c[nH]c[nH+]1 ZINC001363196309 886828856 /nfs/dbraw/zinc/82/88/56/886828856.db2.gz LTQISYUUAGWGJT-VIFPVBQESA-N 1 2 271.273 -1.381 20 0 CAADLO COC(=O)COCC(=O)N[C@H](CO)Cc1c[nH+]c[nH]1 ZINC001363196309 886828875 /nfs/dbraw/zinc/82/88/75/886828875.db2.gz LTQISYUUAGWGJT-VIFPVBQESA-N 1 2 271.273 -1.381 20 0 CAADLO C[C@H](C(=O)NCC1(O)CCS(=O)(=O)CC1)[NH+](C)C ZINC001363208416 886833138 /nfs/dbraw/zinc/83/31/38/886833138.db2.gz YTOQUZIGVYIGDU-SECBINFHSA-N 1 2 278.374 -1.008 20 0 CAADLO C[C@H]1[C@@H](O)CC[N@@H+]1CC(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC001363243589 886839162 /nfs/dbraw/zinc/83/91/62/886839162.db2.gz NJZKNYLCZLNGNR-YUMQZZPRSA-N 1 2 296.327 -1.696 20 0 CAADLO C[C@H]1[C@@H](O)CC[N@H+]1CC(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC001363243589 886839174 /nfs/dbraw/zinc/83/91/74/886839174.db2.gz NJZKNYLCZLNGNR-YUMQZZPRSA-N 1 2 296.327 -1.696 20 0 CAADLO CN(C)S(=O)(=O)CC[N@H+]1CC[C@H]2OCC(=O)N[C@@H]2C1 ZINC001363251616 886841745 /nfs/dbraw/zinc/84/17/45/886841745.db2.gz YQDDFPQQIVKMKW-NXEZZACHSA-N 1 2 291.373 -1.533 20 0 CAADLO CN(C)S(=O)(=O)CC[N@@H+]1CC[C@H]2OCC(=O)N[C@@H]2C1 ZINC001363251616 886841728 /nfs/dbraw/zinc/84/17/28/886841728.db2.gz YQDDFPQQIVKMKW-NXEZZACHSA-N 1 2 291.373 -1.533 20 0 CAADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C[C@H]1CCNC1=O ZINC001363274823 886851287 /nfs/dbraw/zinc/85/12/87/886851287.db2.gz AVIYYDBKWVOCEX-SCZZXKLOSA-N 1 2 293.327 -1.291 20 0 CAADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C[C@H]1CCNC1=O ZINC001363274823 886851304 /nfs/dbraw/zinc/85/13/04/886851304.db2.gz AVIYYDBKWVOCEX-SCZZXKLOSA-N 1 2 293.327 -1.291 20 0 CAADLO O=C(N[C@H](CO)Cc1c[nH+]c[nH]1)C1=CCS(=O)(=O)C1 ZINC001363283372 886853249 /nfs/dbraw/zinc/85/32/49/886853249.db2.gz RGFNXSYGDDBKDP-JTQLQIEISA-N 1 2 285.325 -1.216 20 0 CAADLO O=C(N[C@H](CO)Cc1c[nH]c[nH+]1)C1=CCS(=O)(=O)C1 ZINC001363283372 886853236 /nfs/dbraw/zinc/85/32/36/886853236.db2.gz RGFNXSYGDDBKDP-JTQLQIEISA-N 1 2 285.325 -1.216 20 0 CAADLO NC(=O)[C@@H]1CC[C@H](C(=O)N[C@H](CO)Cc2c[nH]c[nH+]2)O1 ZINC001363284917 886854409 /nfs/dbraw/zinc/85/44/09/886854409.db2.gz YWZXQUMDFFZQMA-LPEHRKFASA-N 1 2 282.300 -1.538 20 0 CAADLO NC(=O)[C@@H]1CC[C@H](C(=O)N[C@H](CO)Cc2c[nH+]c[nH]2)O1 ZINC001363284917 886854425 /nfs/dbraw/zinc/85/44/25/886854425.db2.gz YWZXQUMDFFZQMA-LPEHRKFASA-N 1 2 282.300 -1.538 20 0 CAADLO COC(=O)C1=NO[C@@]2(CC[N@H+](CC(=O)NC(N)=O)C2)C1 ZINC001363292014 886857719 /nfs/dbraw/zinc/85/77/19/886857719.db2.gz PSSTZYAYHRMBOS-NSHDSACASA-N 1 2 284.272 -1.425 20 0 CAADLO COC(=O)C1=NO[C@@]2(CC[N@@H+](CC(=O)NC(N)=O)C2)C1 ZINC001363292014 886857730 /nfs/dbraw/zinc/85/77/30/886857730.db2.gz PSSTZYAYHRMBOS-NSHDSACASA-N 1 2 284.272 -1.425 20 0 CAADLO C[N@@H+]1CCC[C@@](O)(CC(=O)NCc2nnc(CO)[nH]2)C1 ZINC001363289551 886858859 /nfs/dbraw/zinc/85/88/59/886858859.db2.gz ZYEHUAPTOKGZPD-GFCCVEGCSA-N 1 2 283.332 -1.240 20 0 CAADLO C[N@H+]1CCC[C@@](O)(CC(=O)NCc2nnc(CO)[nH]2)C1 ZINC001363289551 886858878 /nfs/dbraw/zinc/85/88/78/886858878.db2.gz ZYEHUAPTOKGZPD-GFCCVEGCSA-N 1 2 283.332 -1.240 20 0 CAADLO CNS(=O)(=O)CC(=O)N1CC[N@H+](CCO)C[C@@H]1C ZINC001363288487 886859298 /nfs/dbraw/zinc/85/92/98/886859298.db2.gz NYHPVITXXAMFQA-VIFPVBQESA-N 1 2 279.362 -1.939 20 0 CAADLO CNS(=O)(=O)CC(=O)N1CC[N@@H+](CCO)C[C@@H]1C ZINC001363288487 886859318 /nfs/dbraw/zinc/85/93/18/886859318.db2.gz NYHPVITXXAMFQA-VIFPVBQESA-N 1 2 279.362 -1.939 20 0 CAADLO NC(=O)c1ncn(CC(=O)N[C@H]2Cc3c[nH+]cn3C2)n1 ZINC001363300395 886862131 /nfs/dbraw/zinc/86/21/31/886862131.db2.gz UHHSFTJDQXQZRM-ZETCQYMHSA-N 1 2 275.272 -1.685 20 0 CAADLO CNS(=O)(=O)CC(=O)N1CC[N@@H+]2C[C@@H](F)C[C@H]2C1 ZINC001363302957 886863905 /nfs/dbraw/zinc/86/39/05/886863905.db2.gz KPEDWXJXZXQQAU-IUCAKERBSA-N 1 2 279.337 -1.210 20 0 CAADLO CNS(=O)(=O)CC(=O)N1CC[N@H+]2C[C@@H](F)C[C@H]2C1 ZINC001363302957 886863926 /nfs/dbraw/zinc/86/39/26/886863926.db2.gz KPEDWXJXZXQQAU-IUCAKERBSA-N 1 2 279.337 -1.210 20 0 CAADLO CC(C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)c1c[nH+]cn1C ZINC001363321954 886869046 /nfs/dbraw/zinc/86/90/46/886869046.db2.gz LRWQQRNQEVIINY-UWVGGRQHSA-N 1 2 298.343 -1.297 20 0 CAADLO Cn1c[nH+]cc1[C@H](CO)NC(=O)CCNS(C)(=O)=O ZINC001363324289 886869975 /nfs/dbraw/zinc/86/99/75/886869975.db2.gz NXCTYPKPVNIWGH-QMMMGPOBSA-N 1 2 290.345 -1.491 20 0 CAADLO CNS(=O)(=O)CC(=O)N[C@H](CO)c1c[nH+]cn1C ZINC001363323993 886870664 /nfs/dbraw/zinc/87/06/64/886870664.db2.gz MQBDDXXUDQJGBE-SSDOTTSWSA-N 1 2 276.318 -1.881 20 0 CAADLO CNC(=O)N[C@H]1CCC[N@H+](CCNS(C)(=O)=O)C1 ZINC001363325634 886871657 /nfs/dbraw/zinc/87/16/57/886871657.db2.gz HHIIWJROYDONSY-VIFPVBQESA-N 1 2 278.378 -1.071 20 0 CAADLO CNC(=O)N[C@H]1CCC[N@@H+](CCNS(C)(=O)=O)C1 ZINC001363325634 886871673 /nfs/dbraw/zinc/87/16/73/886871673.db2.gz HHIIWJROYDONSY-VIFPVBQESA-N 1 2 278.378 -1.071 20 0 CAADLO COCC(COC)[NH+]1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)CC1 ZINC001363321663 886871825 /nfs/dbraw/zinc/87/18/25/886871825.db2.gz LZASCRCQGUXFLI-NEPJUHHUSA-N 1 2 299.371 -1.087 20 0 CAADLO CN(C)c1nc(N)nc(C[N@@H+]2C[C@H](CO)[C@H](CCO)C2)n1 ZINC001363334767 886874577 /nfs/dbraw/zinc/87/45/77/886874577.db2.gz SWWWGBGYSVPWDN-NXEZZACHSA-N 1 2 296.375 -1.058 20 0 CAADLO CN(C)c1nc(N)nc(C[N@H+]2C[C@H](CO)[C@H](CCO)C2)n1 ZINC001363334767 886874590 /nfs/dbraw/zinc/87/45/90/886874590.db2.gz SWWWGBGYSVPWDN-NXEZZACHSA-N 1 2 296.375 -1.058 20 0 CAADLO C[C@H](C(=O)N1CC(NS(N)(=O)=O)C1)n1cc[nH+]c1 ZINC001363353828 886878106 /nfs/dbraw/zinc/87/81/06/886878106.db2.gz AOLNMGVRLWGHFX-SSDOTTSWSA-N 1 2 273.318 -1.552 20 0 CAADLO NS(=O)(=O)NC1CN(C(=O)CCn2cc[nH+]c2)C1 ZINC001363367934 886880243 /nfs/dbraw/zinc/88/02/43/886880243.db2.gz YRHLMLLQTQDTTL-UHFFFAOYSA-N 1 2 273.318 -1.723 20 0 CAADLO C[C@H](NC(N)=O)C(=O)N1CC[NH2+][C@H](c2cnn(C)c2)C1 ZINC001363407114 886893130 /nfs/dbraw/zinc/89/31/30/886893130.db2.gz MWJKSUCKBQNBBG-WPRPVWTQSA-N 1 2 280.332 -1.050 20 0 CAADLO Cn1cc[nH+]c1CCC(=O)N1CCN(CC(N)=O)C(=O)C1 ZINC001363427594 886899229 /nfs/dbraw/zinc/89/92/29/886899229.db2.gz FZOGSDZXNKYNQV-UHFFFAOYSA-N 1 2 293.327 -1.491 20 0 CAADLO CC(=O)NCC(=O)NCC(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC001363454288 886906003 /nfs/dbraw/zinc/90/60/03/886906003.db2.gz AUOCKQFKUJSDHT-JTQLQIEISA-N 1 2 293.327 -1.434 20 0 CAADLO NS(=O)(=O)N1CCC(NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001363484355 886911850 /nfs/dbraw/zinc/91/18/50/886911850.db2.gz HJKHZHRUAXUNEE-UHFFFAOYSA-N 1 2 287.345 -1.264 20 0 CAADLO C[N@@H+]1CCN(C(=O)c2[nH]c(=O)[nH]c(=O)c2N)[C@H](CO)C1 ZINC001363485486 886912318 /nfs/dbraw/zinc/91/23/18/886912318.db2.gz LXXQUVFFXLJFMV-LURJTMIESA-N 1 2 283.288 -1.782 20 0 CAADLO C[N@H+]1CCN(C(=O)c2[nH]c(=O)[nH]c(=O)c2N)[C@H](CO)C1 ZINC001363485486 886912328 /nfs/dbraw/zinc/91/23/28/886912328.db2.gz LXXQUVFFXLJFMV-LURJTMIESA-N 1 2 283.288 -1.782 20 0 CAADLO NC(=O)[C@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@@H]1C(N)=O ZINC001363492473 886914898 /nfs/dbraw/zinc/91/48/98/886914898.db2.gz UMJUVNLJSMTRHI-YUMQZZPRSA-N 1 2 279.300 -1.613 20 0 CAADLO Cn1c[nH+]cc1[C@@H](CO)NC(=O)c1cn(C)c(=O)n1C ZINC001363489590 886915123 /nfs/dbraw/zinc/91/51/23/886915123.db2.gz LXQHSAREULIPQY-MRVPVSSYSA-N 1 2 279.300 -1.079 20 0 CAADLO CC(=O)N[C@@H](CC(=O)N[C@@H]1CCn2c[nH+]cc2C1)C(N)=O ZINC001363510901 886920761 /nfs/dbraw/zinc/92/07/61/886920761.db2.gz BBVQQWNVEDIGSA-KOLCDFICSA-N 1 2 293.327 -1.306 20 0 CAADLO C[N@@H+]1CCN(C(=O)c2cnn(C[C@@H](O)CO)c2)C[C@@H]1CO ZINC001363508231 886921086 /nfs/dbraw/zinc/92/10/86/886921086.db2.gz HMVCKFZXLADEPS-VXGBXAGGSA-N 1 2 298.343 -2.015 20 0 CAADLO C[N@H+]1CCN(C(=O)c2cnn(C[C@@H](O)CO)c2)C[C@@H]1CO ZINC001363508231 886921092 /nfs/dbraw/zinc/92/10/92/886921092.db2.gz HMVCKFZXLADEPS-VXGBXAGGSA-N 1 2 298.343 -2.015 20 0 CAADLO O=C(CN1CSCC1=O)N[C@H](CO)Cc1c[nH]c[nH+]1 ZINC001363519705 886924116 /nfs/dbraw/zinc/92/41/16/886924116.db2.gz RWARLLLEXJGCQE-VIFPVBQESA-N 1 2 284.341 -1.038 20 0 CAADLO O=C(CN1CSCC1=O)N[C@H](CO)Cc1c[nH+]c[nH]1 ZINC001363519705 886924124 /nfs/dbraw/zinc/92/41/24/886924124.db2.gz RWARLLLEXJGCQE-VIFPVBQESA-N 1 2 284.341 -1.038 20 0 CAADLO CN(CC(=O)N[C@H](CO)Cc1c[nH]c[nH+]1)S(C)(=O)=O ZINC001363519534 886924702 /nfs/dbraw/zinc/92/47/02/886924702.db2.gz RGXGWGNITRZIHC-VIFPVBQESA-N 1 2 290.345 -1.679 20 0 CAADLO CN(CC(=O)N[C@H](CO)Cc1c[nH+]c[nH]1)S(C)(=O)=O ZINC001363519534 886924717 /nfs/dbraw/zinc/92/47/17/886924717.db2.gz RGXGWGNITRZIHC-VIFPVBQESA-N 1 2 290.345 -1.679 20 0 CAADLO CN(Cc1nnc2n1CCNC2=O)C(=O)Cc1[nH]cc[nH+]1 ZINC001363582217 886940064 /nfs/dbraw/zinc/94/00/64/886940064.db2.gz PKHFBAKYHPKYGP-UHFFFAOYSA-N 1 2 289.299 -1.054 20 0 CAADLO CNC(=O)C[N@@H+]1CCCN(C(=O)[C@H](O)C(C)(C)O)CC1 ZINC001363575545 886940950 /nfs/dbraw/zinc/94/09/50/886940950.db2.gz JQSDNKUDDDATOD-NSHDSACASA-N 1 2 287.360 -1.602 20 0 CAADLO CNC(=O)C[N@H+]1CCCN(C(=O)[C@H](O)C(C)(C)O)CC1 ZINC001363575545 886940968 /nfs/dbraw/zinc/94/09/68/886940968.db2.gz JQSDNKUDDDATOD-NSHDSACASA-N 1 2 287.360 -1.602 20 0 CAADLO COC[C@H](NC(=O)[C@@H]1C[N@@H+]2CCN1C[C@H]2C)c1nn[nH]n1 ZINC001363591294 886944123 /nfs/dbraw/zinc/94/41/23/886944123.db2.gz SRINGVXUXJUDKD-UTLUCORTSA-N 1 2 295.347 -1.608 20 0 CAADLO COC[C@H](NC(=O)[C@@H]1C[N@H+]2CCN1C[C@H]2C)c1nn[nH]n1 ZINC001363591294 886944129 /nfs/dbraw/zinc/94/41/29/886944129.db2.gz SRINGVXUXJUDKD-UTLUCORTSA-N 1 2 295.347 -1.608 20 0 CAADLO CNC(=O)C[N@@H+]1CCCN(C(=O)Cn2nccc2N)CC1 ZINC001363592759 886944627 /nfs/dbraw/zinc/94/46/27/886944627.db2.gz IVRXOOMOGWLJAP-UHFFFAOYSA-N 1 2 294.359 -1.254 20 0 CAADLO CNC(=O)C[N@H+]1CCCN(C(=O)Cn2nccc2N)CC1 ZINC001363592759 886944637 /nfs/dbraw/zinc/94/46/37/886944637.db2.gz IVRXOOMOGWLJAP-UHFFFAOYSA-N 1 2 294.359 -1.254 20 0 CAADLO COC[C@@H](NC(=O)C[N@H+](C)[C@@H]1CCC[C@H]1O)c1nn[nH]n1 ZINC001363594663 886944958 /nfs/dbraw/zinc/94/49/58/886944958.db2.gz YAYYGSAXLBDEAZ-OPRDCNLKSA-N 1 2 298.347 -1.151 20 0 CAADLO COC[C@@H](NC(=O)C[N@@H+](C)[C@@H]1CCC[C@H]1O)c1nn[nH]n1 ZINC001363594663 886944974 /nfs/dbraw/zinc/94/49/74/886944974.db2.gz YAYYGSAXLBDEAZ-OPRDCNLKSA-N 1 2 298.347 -1.151 20 0 CAADLO COC[C@H](NC(=O)[C@@H]1C[N@@H+]2CCN1C[C@@H]2C)c1nn[nH]n1 ZINC001363591280 886945029 /nfs/dbraw/zinc/94/50/29/886945029.db2.gz SRINGVXUXJUDKD-GUBZILKMSA-N 1 2 295.347 -1.608 20 0 CAADLO COC[C@H](NC(=O)[C@@H]1C[N@H+]2CCN1C[C@@H]2C)c1nn[nH]n1 ZINC001363591280 886945040 /nfs/dbraw/zinc/94/50/40/886945040.db2.gz SRINGVXUXJUDKD-GUBZILKMSA-N 1 2 295.347 -1.608 20 0 CAADLO C[NH+](C)Cc1nc(CNC(=O)[C@@H](CO)NC(N)=O)co1 ZINC001363631893 886951019 /nfs/dbraw/zinc/95/10/19/886951019.db2.gz NSOBTJBPZGZJIX-MRVPVSSYSA-N 1 2 285.304 -1.618 20 0 CAADLO O=C(N[C@H](CO)Cc1c[nH]c[nH+]1)C1=C2CCCN=C2NN1 ZINC001363659558 886955612 /nfs/dbraw/zinc/95/56/12/886955612.db2.gz NNTVGUTYTKMKRE-VIFPVBQESA-N 1 2 290.327 -1.017 20 0 CAADLO O=C(N[C@H](CO)Cc1c[nH+]c[nH]1)C1=C2CCCN=C2NN1 ZINC001363659558 886955623 /nfs/dbraw/zinc/95/56/23/886955623.db2.gz NNTVGUTYTKMKRE-VIFPVBQESA-N 1 2 290.327 -1.017 20 0 CAADLO CNC(=O)NCC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)OC ZINC001363672569 886960675 /nfs/dbraw/zinc/96/06/75/886960675.db2.gz MWPCWAVPRGTJFV-MRVPVSSYSA-N 1 2 283.288 -1.461 20 0 CAADLO CNC(=O)NCC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)OC ZINC001363672569 886960671 /nfs/dbraw/zinc/96/06/71/886960671.db2.gz MWPCWAVPRGTJFV-MRVPVSSYSA-N 1 2 283.288 -1.461 20 0 CAADLO COC(=O)[C@@H](Cn1cncn1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001363713214 886965292 /nfs/dbraw/zinc/96/52/92/886965292.db2.gz WJTVHFOFVIGKDB-SECBINFHSA-N 1 2 278.272 -1.098 20 0 CAADLO O=C(NC[C@@]1(CO)COC[C@@H]2CCC[N@@H+]21)c1cn[nH]n1 ZINC001363739264 886969477 /nfs/dbraw/zinc/96/94/77/886969477.db2.gz NHBFSGZAEAWIOR-JOYOIKCWSA-N 1 2 281.316 -1.240 20 0 CAADLO O=C(NC[C@@]1(CO)COC[C@@H]2CCC[N@H+]21)c1cn[nH]n1 ZINC001363739264 886969481 /nfs/dbraw/zinc/96/94/81/886969481.db2.gz NHBFSGZAEAWIOR-JOYOIKCWSA-N 1 2 281.316 -1.240 20 0 CAADLO O=C(NC[C@@]1(CO)COC[C@@H]2CCC[N@@H+]21)c1cnn[nH]1 ZINC001363739264 886969491 /nfs/dbraw/zinc/96/94/91/886969491.db2.gz NHBFSGZAEAWIOR-JOYOIKCWSA-N 1 2 281.316 -1.240 20 0 CAADLO O=C(NC[C@@]1(CO)COC[C@@H]2CCC[N@H+]21)c1cnn[nH]1 ZINC001363739264 886969502 /nfs/dbraw/zinc/96/95/02/886969502.db2.gz NHBFSGZAEAWIOR-JOYOIKCWSA-N 1 2 281.316 -1.240 20 0 CAADLO NC(=O)c1nccnc1N1CC2(C1)CC(=O)NCC[NH2+]2 ZINC001363733367 886970724 /nfs/dbraw/zinc/97/07/24/886970724.db2.gz ZXYNSNZJQNWTTM-UHFFFAOYSA-N 1 2 276.300 -1.756 20 0 CAADLO CNC(=O)C[N@@H+]1CCCN(c2nccnc2C(N)=O)CC1 ZINC001363750259 886973502 /nfs/dbraw/zinc/97/35/02/886973502.db2.gz OOJHQSNLVDRFFG-UHFFFAOYSA-N 1 2 292.343 -1.166 20 0 CAADLO CNC(=O)C[N@H+]1CCCN(c2nccnc2C(N)=O)CC1 ZINC001363750259 886973516 /nfs/dbraw/zinc/97/35/16/886973516.db2.gz OOJHQSNLVDRFFG-UHFFFAOYSA-N 1 2 292.343 -1.166 20 0 CAADLO Cn1cc[nH+]c1CCC(=O)NC[C@@H](O)CS(C)(=O)=O ZINC001363787238 886981237 /nfs/dbraw/zinc/98/12/37/886981237.db2.gz ZWVPKOUNQKWYMO-SECBINFHSA-N 1 2 289.357 -1.126 20 0 CAADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H]1CCC(=O)N1C ZINC001363803566 886982655 /nfs/dbraw/zinc/98/26/55/886982655.db2.gz NQOQCPKDVCTFKM-VHSXEESVSA-N 1 2 293.327 -1.196 20 0 CAADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H]1CCC(=O)N1C ZINC001363803566 886982662 /nfs/dbraw/zinc/98/26/62/886982662.db2.gz NQOQCPKDVCTFKM-VHSXEESVSA-N 1 2 293.327 -1.196 20 0 CAADLO CO[C@@H]1COC[C@H]1[NH2+]Cc1cc(=O)n2nc(N)[nH]c2n1 ZINC001363801796 886983748 /nfs/dbraw/zinc/98/37/48/886983748.db2.gz CGAGOCNNWHJKCJ-HTQZYQBOSA-N 1 2 280.288 -1.497 20 0 CAADLO CC(C)c1nnc(C[NH+]2C[C@@H](C(N)=O)[C@H](C(N)=O)C2)[nH]1 ZINC001363806822 886984719 /nfs/dbraw/zinc/98/47/19/886984719.db2.gz KWSSZZGNNKEIKL-HTQZYQBOSA-N 1 2 280.332 -1.053 20 0 CAADLO CC(C)c1nnc(C[N@@H+]2C[C@H](C(N)=O)[C@H](C(N)=O)C2)[nH]1 ZINC001363806840 886984812 /nfs/dbraw/zinc/98/48/12/886984812.db2.gz KWSSZZGNNKEIKL-OCAPTIKFSA-N 1 2 280.332 -1.053 20 0 CAADLO CC(C)c1nnc(C[N@H+]2C[C@H](C(N)=O)[C@H](C(N)=O)C2)[nH]1 ZINC001363806840 886984826 /nfs/dbraw/zinc/98/48/26/886984826.db2.gz KWSSZZGNNKEIKL-OCAPTIKFSA-N 1 2 280.332 -1.053 20 0 CAADLO C[C@@H]1COCC[N@@H+]1CCN1CCN(CC(N)=O)C(=O)C1 ZINC001363812338 886986890 /nfs/dbraw/zinc/98/68/90/886986890.db2.gz RHXWTSMNBYQWJM-LLVKDONJSA-N 1 2 284.360 -1.663 20 0 CAADLO C[C@@H]1COCC[N@H+]1CCN1CCN(CC(N)=O)C(=O)C1 ZINC001363812338 886986901 /nfs/dbraw/zinc/98/69/01/886986901.db2.gz RHXWTSMNBYQWJM-LLVKDONJSA-N 1 2 284.360 -1.663 20 0 CAADLO C[C@@H](NC(=O)C[NH2+][C@]1(C(N)=O)CCOC1)C(=O)N(C)C ZINC001363810281 886988192 /nfs/dbraw/zinc/98/81/92/886988192.db2.gz VQQCUBXOZKZPQA-PRHODGIISA-N 1 2 286.332 -2.187 20 0 CAADLO C[C@H]1COCC[N@@H+]1CCN1CCN(CC(N)=O)C(=O)C1 ZINC001363812906 886988146 /nfs/dbraw/zinc/98/81/46/886988146.db2.gz RHXWTSMNBYQWJM-NSHDSACASA-N 1 2 284.360 -1.663 20 0 CAADLO C[C@H]1COCC[N@H+]1CCN1CCN(CC(N)=O)C(=O)C1 ZINC001363812906 886988158 /nfs/dbraw/zinc/98/81/58/886988158.db2.gz RHXWTSMNBYQWJM-NSHDSACASA-N 1 2 284.360 -1.663 20 0 CAADLO C[N@@H+]1CCO[C@@H](C(=O)NC(C)(C)CNS(N)(=O)=O)C1 ZINC001363830493 886990243 /nfs/dbraw/zinc/99/02/43/886990243.db2.gz NWEGTCGKGGGCOJ-MRVPVSSYSA-N 1 2 294.377 -1.995 20 0 CAADLO C[N@H+]1CCO[C@@H](C(=O)NC(C)(C)CNS(N)(=O)=O)C1 ZINC001363830493 886990256 /nfs/dbraw/zinc/99/02/56/886990256.db2.gz NWEGTCGKGGGCOJ-MRVPVSSYSA-N 1 2 294.377 -1.995 20 0 CAADLO CCCNC(=O)C[N@@H+]1CCN2CCOC[C@@]2(CO)C1 ZINC001363845361 886995428 /nfs/dbraw/zinc/99/54/28/886995428.db2.gz MZMIACGXSIRVCT-ZDUSSCGKSA-N 1 2 271.361 -1.109 20 0 CAADLO CCCNC(=O)C[N@H+]1CCN2CCOC[C@@]2(CO)C1 ZINC001363845361 886995435 /nfs/dbraw/zinc/99/54/35/886995435.db2.gz MZMIACGXSIRVCT-ZDUSSCGKSA-N 1 2 271.361 -1.109 20 0 CAADLO CCO[C@@H]1COC[C@H]1NS(=O)(=O)N1CC[NH+](C)CC1 ZINC001363865976 886997138 /nfs/dbraw/zinc/99/71/38/886997138.db2.gz XZGNTVNFZIIAQF-GHMZBOCLSA-N 1 2 293.389 -1.128 20 0 CAADLO C[C@@H]1CN(C)C(=O)CN1S(=O)(=O)N1CC[NH+](C)CC1 ZINC001363880011 886997646 /nfs/dbraw/zinc/99/76/46/886997646.db2.gz HZXPZILTXKJPQT-SNVBAGLBSA-N 1 2 290.389 -1.359 20 0 CAADLO C[C@H](NS(=O)(=O)N1CC[NH+](C)CC1)C(=O)NCCF ZINC001363869612 886999205 /nfs/dbraw/zinc/99/92/05/886999205.db2.gz ZWCJBMHAFIIYAM-VIFPVBQESA-N 1 2 296.368 -1.458 20 0 CAADLO C[C@@H]1[C@H]([NH2+]Cc2cn(CC(N)=O)nn2)CCS1(=O)=O ZINC001363868984 886999653 /nfs/dbraw/zinc/99/96/53/886999653.db2.gz QKSFXBGARVWTLU-VXNVDRBHSA-N 1 2 287.345 -1.571 20 0 CAADLO NC(=O)CC1CC[NH+](Cc2cn(CC(N)=O)nn2)CC1 ZINC001363899637 887001064 /nfs/dbraw/zinc/00/10/64/887001064.db2.gz LLYZROSISZJJRG-UHFFFAOYSA-N 1 2 280.332 -1.149 20 0 CAADLO CO[C@@H]1COC[C@@H]1NS(=O)(=O)N1CC[NH+](C)CC1 ZINC001363939508 887004495 /nfs/dbraw/zinc/00/44/95/887004495.db2.gz KIRQXEORVFAZSO-VHSXEESVSA-N 1 2 279.362 -1.518 20 0 CAADLO CO[C@@]1(CNS(=O)(=O)N2CC[NH+](C)CC2)CCOC1 ZINC001363978866 887011231 /nfs/dbraw/zinc/01/12/31/887011231.db2.gz MNWLJKUWZYXIMH-LLVKDONJSA-N 1 2 293.389 -1.126 20 0 CAADLO C[C@H](NS(=O)(=O)N1CC[NH+](C)CC1)c1nc[nH]n1 ZINC001363979893 887011289 /nfs/dbraw/zinc/01/12/89/887011289.db2.gz MQSMTUYTHMGUNZ-QMMMGPOBSA-N 1 2 274.350 -1.053 20 0 CAADLO CCc1nnc(CNS(=O)(=O)N2CC[NH+](C)CC2)[nH]1 ZINC001363984534 887013031 /nfs/dbraw/zinc/01/30/31/887013031.db2.gz IIXDAPFYHQUPKO-UHFFFAOYSA-N 1 2 288.377 -1.051 20 0 CAADLO Cc1[nH+]c[nH]c1CC(=O)N1CC2(C1)C[C@H](O)CNC2=O ZINC001363993836 887015986 /nfs/dbraw/zinc/01/59/86/887015986.db2.gz FKFUDGLEORFHPS-VIFPVBQESA-N 1 2 278.312 -1.030 20 0 CAADLO COC[C@@H](C(N)=O)N(C)S(=O)(=O)N1CC[NH+](C)CC1 ZINC001363993576 887016165 /nfs/dbraw/zinc/01/61/65/887016165.db2.gz FXCMVFPQQDVAPO-VIFPVBQESA-N 1 2 294.377 -2.089 20 0 CAADLO COC(=O)[C@H](CF)NS(=O)(=O)N1CC[NH+](C)CC1 ZINC001363993405 887016544 /nfs/dbraw/zinc/01/65/44/887016544.db2.gz FXJNKPVNDZHMAH-QMMMGPOBSA-N 1 2 283.325 -1.421 20 0 CAADLO COC(=O)N1CC(NS(=O)(=O)N2CC[NH+](C)CC2)C1 ZINC001363992084 887016892 /nfs/dbraw/zinc/01/68/92/887016892.db2.gz VFHWPABEAFRCBO-UHFFFAOYSA-N 1 2 292.361 -1.481 20 0 CAADLO COCCN(C)S(=O)(=O)N1CC[N@H+](C)[C@H](CO)C1 ZINC001364048564 887025601 /nfs/dbraw/zinc/02/56/01/887025601.db2.gz KTUFIUZTTRDFHQ-JTQLQIEISA-N 1 2 281.378 -1.582 20 0 CAADLO COCCN(C)S(=O)(=O)N1CC[N@@H+](C)[C@H](CO)C1 ZINC001364048564 887025611 /nfs/dbraw/zinc/02/56/11/887025611.db2.gz KTUFIUZTTRDFHQ-JTQLQIEISA-N 1 2 281.378 -1.582 20 0 CAADLO CS(=O)(=O)C1CN(C(=O)[C@H]2C[N@@H+]3CCN2CCC3)C1 ZINC001364088426 887028602 /nfs/dbraw/zinc/02/86/02/887028602.db2.gz FRCBYINGKDLADG-LLVKDONJSA-N 1 2 287.385 -1.368 20 0 CAADLO CS(=O)(=O)C1CN(C(=O)[C@H]2C[N@H+]3CCN2CCC3)C1 ZINC001364088426 887028616 /nfs/dbraw/zinc/02/86/16/887028616.db2.gz FRCBYINGKDLADG-LLVKDONJSA-N 1 2 287.385 -1.368 20 0 CAADLO O=S(=O)(CCn1cc[nH+]c1)N1CC(CO)(CO)C1 ZINC001364075229 887030078 /nfs/dbraw/zinc/03/00/78/887030078.db2.gz YYGROSSFHFSQQL-UHFFFAOYSA-N 1 2 275.330 -1.501 20 0 CAADLO C[C@H](C[NH+]1CCOCC1)C(=O)NCc1n[nH]c(CO)n1 ZINC001364104277 887032534 /nfs/dbraw/zinc/03/25/34/887032534.db2.gz VGZWZNFJFPZXKN-SECBINFHSA-N 1 2 283.332 -1.119 20 0 CAADLO CCN1CC[NH+](CCC(=O)NCc2nc(CO)n[nH]2)CC1 ZINC001364102001 887032616 /nfs/dbraw/zinc/03/26/16/887032616.db2.gz NLJOKYBXHKNPKK-UHFFFAOYSA-N 1 2 296.375 -1.059 20 0 CAADLO O=C(C[NH+]1CCC(CO)CC1)NCc1nc(CO)n[nH]1 ZINC001364102469 887034345 /nfs/dbraw/zinc/03/43/45/887034345.db2.gz PFKMZARGWLYFTC-UHFFFAOYSA-N 1 2 283.332 -1.383 20 0 CAADLO COC(=O)[C@@H]1CCN1S(=O)(=O)N1CC[NH+](C)CC1 ZINC001364120754 887036206 /nfs/dbraw/zinc/03/62/06/887036206.db2.gz XLCPHQVCOZCSOP-VIFPVBQESA-N 1 2 277.346 -1.274 20 0 CAADLO CNC(=O)C[N@@H+]1CCCN(C(=O)C2(O)CCOCC2)CC1 ZINC001364184713 887041691 /nfs/dbraw/zinc/04/16/91/887041691.db2.gz VZWKTOBJPOZLPC-UHFFFAOYSA-N 1 2 299.371 -1.192 20 0 CAADLO CNC(=O)C[N@H+]1CCCN(C(=O)C2(O)CCOCC2)CC1 ZINC001364184713 887041702 /nfs/dbraw/zinc/04/17/02/887041702.db2.gz VZWKTOBJPOZLPC-UHFFFAOYSA-N 1 2 299.371 -1.192 20 0 CAADLO CNS(=O)(=O)NCC(=O)N[C@H](CO)c1c[nH+]cn1C ZINC001364189357 887043231 /nfs/dbraw/zinc/04/32/31/887043231.db2.gz CBZQJUFUXXQUSD-SSDOTTSWSA-N 1 2 291.333 -2.377 20 0 CAADLO Cn1ncc2c1nc[nH+]c2N1C[C@@H](C(N)=O)[C@H](C(N)=O)C1 ZINC001364233964 887049981 /nfs/dbraw/zinc/04/99/81/887049981.db2.gz ZSRADARYXYMYTQ-HTQZYQBOSA-N 1 2 289.299 -1.614 20 0 CAADLO Cn1c[nH+]cc1CCC(=O)NC[C@@H](O)CS(C)(=O)=O ZINC001364373795 887070677 /nfs/dbraw/zinc/07/06/77/887070677.db2.gz KSJUOUUARMACSQ-SNVBAGLBSA-N 1 2 289.357 -1.126 20 0 CAADLO Cn1c[nH+]cc1CCC(=O)NC[C@H](O)CS(C)(=O)=O ZINC001364373793 887071605 /nfs/dbraw/zinc/07/16/05/887071605.db2.gz KSJUOUUARMACSQ-JTQLQIEISA-N 1 2 289.357 -1.126 20 0 CAADLO NC(=O)N[C@@H]1CC[N@H+](CC2(O)CCS(=O)(=O)CC2)C1 ZINC001364379520 887073665 /nfs/dbraw/zinc/07/36/65/887073665.db2.gz ASSRVVPSXHHJOJ-SECBINFHSA-N 1 2 291.373 -1.331 20 0 CAADLO NC(=O)N[C@@H]1CC[N@@H+](CC2(O)CCS(=O)(=O)CC2)C1 ZINC001364379520 887073671 /nfs/dbraw/zinc/07/36/71/887073671.db2.gz ASSRVVPSXHHJOJ-SECBINFHSA-N 1 2 291.373 -1.331 20 0 CAADLO C[C@@H](O)C[N@H+](Cc1nnc2c(=O)[nH]ccn12)[C@@H](C)CO ZINC001364381970 887073969 /nfs/dbraw/zinc/07/39/69/887073969.db2.gz SESMLJHGFRNEND-DTWKUNHWSA-N 1 2 281.316 -1.019 20 0 CAADLO C[C@@H](O)C[N@@H+](Cc1nnc2c(=O)[nH]ccn12)[C@@H](C)CO ZINC001364381970 887073981 /nfs/dbraw/zinc/07/39/81/887073981.db2.gz SESMLJHGFRNEND-DTWKUNHWSA-N 1 2 281.316 -1.019 20 0 CAADLO CO[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+][C@@H](CO)c1cnn(C)c1 ZINC001364389192 887074392 /nfs/dbraw/zinc/07/43/92/887074392.db2.gz IZNTUUZQKOCZKD-GARJFASQSA-N 1 2 289.357 -1.145 20 0 CAADLO C[C@@H](O)C[N@H+](Cc1nnc2c(=O)[nH]ccn12)[C@H](C)CO ZINC001364381982 887075288 /nfs/dbraw/zinc/07/52/88/887075288.db2.gz SESMLJHGFRNEND-RKDXNWHRSA-N 1 2 281.316 -1.019 20 0 CAADLO C[C@@H](O)C[N@@H+](Cc1nnc2c(=O)[nH]ccn12)[C@H](C)CO ZINC001364381982 887075295 /nfs/dbraw/zinc/07/52/95/887075295.db2.gz SESMLJHGFRNEND-RKDXNWHRSA-N 1 2 281.316 -1.019 20 0 CAADLO CCN(C)C(=O)CC[NH+]1CCN(S(=O)(=O)NC)CC1 ZINC001364418218 887079413 /nfs/dbraw/zinc/07/94/13/887079413.db2.gz VQXIVSDDXRQAGS-UHFFFAOYSA-N 1 2 292.405 -1.063 20 0 CAADLO COC(=O)c1cc(C(=O)N2CC[N@H+](C)[C@H](CO)C2)n(C)n1 ZINC001364422360 887081946 /nfs/dbraw/zinc/08/19/46/887081946.db2.gz UKFMKGXKPUMZIZ-VIFPVBQESA-N 1 2 296.327 -1.045 20 0 CAADLO COC(=O)c1cc(C(=O)N2CC[N@@H+](C)[C@H](CO)C2)n(C)n1 ZINC001364422360 887081955 /nfs/dbraw/zinc/08/19/55/887081955.db2.gz UKFMKGXKPUMZIZ-VIFPVBQESA-N 1 2 296.327 -1.045 20 0 CAADLO O=C(C[N@@H+]1C[C@H](O)[C@H](CO)C1)NCC(=O)N1CCCC1 ZINC001364419559 887083313 /nfs/dbraw/zinc/08/33/13/887083313.db2.gz WTARLBYMIKNPTB-QWRGUYRKSA-N 1 2 285.344 -1.990 20 0 CAADLO O=C(C[N@H+]1C[C@H](O)[C@H](CO)C1)NCC(=O)N1CCCC1 ZINC001364419559 887083333 /nfs/dbraw/zinc/08/33/33/887083333.db2.gz WTARLBYMIKNPTB-QWRGUYRKSA-N 1 2 285.344 -1.990 20 0 CAADLO CNC(=O)Cc1noc(C[N@@H+]2C[C@@H](O)C[C@@]2(C)CO)n1 ZINC001364450219 887086551 /nfs/dbraw/zinc/08/65/51/887086551.db2.gz MTZZJABJRUPSMK-UFBFGSQYSA-N 1 2 284.316 -1.324 20 0 CAADLO CNC(=O)Cc1noc(C[N@H+]2C[C@@H](O)C[C@@]2(C)CO)n1 ZINC001364450219 887086564 /nfs/dbraw/zinc/08/65/64/887086564.db2.gz MTZZJABJRUPSMK-UFBFGSQYSA-N 1 2 284.316 -1.324 20 0 CAADLO O=C(C[N@@H+]1CC[C@@H](O)[C@H](CO)C1)NCC(=O)N1CCCC1 ZINC001364437875 887086719 /nfs/dbraw/zinc/08/67/19/887086719.db2.gz JLFSWAAATFATRQ-NWDGAFQWSA-N 1 2 299.371 -1.600 20 0 CAADLO O=C(C[N@H+]1CC[C@@H](O)[C@H](CO)C1)NCC(=O)N1CCCC1 ZINC001364437875 887086728 /nfs/dbraw/zinc/08/67/28/887086728.db2.gz JLFSWAAATFATRQ-NWDGAFQWSA-N 1 2 299.371 -1.600 20 0 CAADLO CNC(=O)[C@@H]1CC[N@H+](Cc2nnc3c(=O)n(C)ccn23)C1 ZINC001364448538 887088226 /nfs/dbraw/zinc/08/82/26/887088226.db2.gz ZZLCFAUVNYBEJY-SECBINFHSA-N 1 2 290.327 -1.004 20 0 CAADLO CNC(=O)[C@@H]1CC[N@@H+](Cc2nnc3c(=O)n(C)ccn23)C1 ZINC001364448538 887088236 /nfs/dbraw/zinc/08/82/36/887088236.db2.gz ZZLCFAUVNYBEJY-SECBINFHSA-N 1 2 290.327 -1.004 20 0 CAADLO O=C(C[N@@H+]1CC[C@@H](O)[C@@H](CO)C1)NCC(=O)N1CCCC1 ZINC001364437879 887088945 /nfs/dbraw/zinc/08/89/45/887088945.db2.gz JLFSWAAATFATRQ-VXGBXAGGSA-N 1 2 299.371 -1.600 20 0 CAADLO O=C(C[N@H+]1CC[C@@H](O)[C@@H](CO)C1)NCC(=O)N1CCCC1 ZINC001364437879 887088958 /nfs/dbraw/zinc/08/89/58/887088958.db2.gz JLFSWAAATFATRQ-VXGBXAGGSA-N 1 2 299.371 -1.600 20 0 CAADLO CS(=O)(=O)CC[NH2+]C1(C(N)=O)CCS(=O)(=O)CC1 ZINC001364489896 887094278 /nfs/dbraw/zinc/09/42/78/887094278.db2.gz PHPJMVAAIPLHEI-UHFFFAOYSA-N 1 2 298.386 -1.947 20 0 CAADLO COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)c1cnn(C)n1 ZINC001364507107 887097863 /nfs/dbraw/zinc/09/78/63/887097863.db2.gz ROSTVTQNWDHRJH-VIFPVBQESA-N 1 2 278.272 -1.017 20 0 CAADLO Cn1ccn2c(C[N@H+](C)C[C@@H]3CNC(=O)C3)nnc2c1=O ZINC001364495433 887100115 /nfs/dbraw/zinc/10/01/15/887100115.db2.gz YOEDXYVUTYSTGS-VIFPVBQESA-N 1 2 290.327 -1.004 20 0 CAADLO Cn1ccn2c(C[N@@H+](C)C[C@@H]3CNC(=O)C3)nnc2c1=O ZINC001364495433 887100131 /nfs/dbraw/zinc/10/01/31/887100131.db2.gz YOEDXYVUTYSTGS-VIFPVBQESA-N 1 2 290.327 -1.004 20 0 CAADLO Cc1nn(CC(=O)N[C@H](CO)Cc2c[nH]c[nH+]2)c(=O)n1C ZINC001364539511 887105704 /nfs/dbraw/zinc/10/57/04/887105704.db2.gz JPJJFZDZUWMDIU-JTQLQIEISA-N 1 2 294.315 -1.667 20 0 CAADLO Cc1nn(CC(=O)N[C@H](CO)Cc2c[nH+]c[nH]2)c(=O)n1C ZINC001364539511 887105710 /nfs/dbraw/zinc/10/57/10/887105710.db2.gz JPJJFZDZUWMDIU-JTQLQIEISA-N 1 2 294.315 -1.667 20 0 CAADLO COC(=O)[C@H]1C[NH+](Cc2nc(=O)n(C)[nH]2)C[C@@H]1C(=O)OC ZINC001364544734 887106026 /nfs/dbraw/zinc/10/60/26/887106026.db2.gz CZWJHNOYYJXMOK-YUMQZZPRSA-N 1 2 298.299 -1.498 20 0 CAADLO CS(=O)(=O)C1(C[NH2+]Cc2cn(CC(N)=O)nn2)CC1 ZINC001364603328 887114014 /nfs/dbraw/zinc/11/40/14/887114014.db2.gz CGROSFCFLTURIM-UHFFFAOYSA-N 1 2 287.345 -1.570 20 0 CAADLO NS(=O)(=O)C1CN(C(=O)N[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001364602555 887115037 /nfs/dbraw/zinc/11/50/37/887115037.db2.gz YWKZTSLKJBXHGQ-QMMMGPOBSA-N 1 2 299.356 -1.120 20 0 CAADLO Nc1nc2nc(CN3C[C@@H]4C[NH2+]C[C@H]4C3)cc(=O)n2[nH]1 ZINC001364624060 887116987 /nfs/dbraw/zinc/11/69/87/887116987.db2.gz QMDVJEBKNBNPTR-YUMQZZPRSA-N 1 2 275.316 -1.349 20 0 CAADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)Cn1nccc1N ZINC001364651464 887117745 /nfs/dbraw/zinc/11/77/45/887117745.db2.gz NWOGXZGXMLPWBI-VIFPVBQESA-N 1 2 291.315 -1.338 20 0 CAADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)Cn1nccc1N ZINC001364651464 887117755 /nfs/dbraw/zinc/11/77/55/887117755.db2.gz NWOGXZGXMLPWBI-VIFPVBQESA-N 1 2 291.315 -1.338 20 0 CAADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1ncn(C)n1 ZINC001364652379 887117834 /nfs/dbraw/zinc/11/78/34/887117834.db2.gz UGYZSEZMBUJXSI-QMMMGPOBSA-N 1 2 277.288 -1.375 20 0 CAADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1ncn(C)n1 ZINC001364652379 887117842 /nfs/dbraw/zinc/11/78/42/887117842.db2.gz UGYZSEZMBUJXSI-QMMMGPOBSA-N 1 2 277.288 -1.375 20 0 CAADLO COC(=O)Cn1cc(C[NH2+]CC(=O)N2CCOCC2)nn1 ZINC001364682953 887119705 /nfs/dbraw/zinc/11/97/05/887119705.db2.gz CNNVPFMXTQXCCX-UHFFFAOYSA-N 1 2 297.315 -1.601 20 0 CAADLO NC(=O)Cn1cc(C[N@@H+]2CCN3CCOC[C@H]3C2)nn1 ZINC001364665879 887119901 /nfs/dbraw/zinc/11/99/01/887119901.db2.gz PXFGSZADMRAJOW-LLVKDONJSA-N 1 2 280.332 -1.720 20 0 CAADLO NC(=O)Cn1cc(C[N@H+]2CCN3CCOC[C@H]3C2)nn1 ZINC001364665879 887119910 /nfs/dbraw/zinc/11/99/10/887119910.db2.gz PXFGSZADMRAJOW-LLVKDONJSA-N 1 2 280.332 -1.720 20 0 CAADLO NC(=O)Cn1cc(C[N@@H+]2CCC[C@@H](OCCO)C2)nn1 ZINC001364665935 887119935 /nfs/dbraw/zinc/11/99/35/887119935.db2.gz RVZWLJHHXLTYPN-LLVKDONJSA-N 1 2 283.332 -1.263 20 0 CAADLO NC(=O)Cn1cc(C[N@H+]2CCC[C@@H](OCCO)C2)nn1 ZINC001364665935 887119949 /nfs/dbraw/zinc/11/99/49/887119949.db2.gz RVZWLJHHXLTYPN-LLVKDONJSA-N 1 2 283.332 -1.263 20 0 CAADLO NC(=O)Cn1cc(C[N@@H+]2CCC[C@H](OCCO)C2)nn1 ZINC001364665939 887120643 /nfs/dbraw/zinc/12/06/43/887120643.db2.gz RVZWLJHHXLTYPN-NSHDSACASA-N 1 2 283.332 -1.263 20 0 CAADLO NC(=O)Cn1cc(C[N@H+]2CCC[C@H](OCCO)C2)nn1 ZINC001364665939 887120648 /nfs/dbraw/zinc/12/06/48/887120648.db2.gz RVZWLJHHXLTYPN-NSHDSACASA-N 1 2 283.332 -1.263 20 0 CAADLO NC(=O)C1(O)CC[NH+](Cc2cc(=O)n3[nH]ccc3n2)CC1 ZINC001364689954 887122981 /nfs/dbraw/zinc/12/29/81/887122981.db2.gz MOPOINUABAIDLT-UHFFFAOYSA-N 1 2 291.311 -1.165 20 0 CAADLO NS(=O)(=O)c1ccc(C[N@@H+]2C[C@H](CO)[C@H](CO)C2)o1 ZINC001364708325 887123232 /nfs/dbraw/zinc/12/32/32/887123232.db2.gz MEUKFLFJQTVWPJ-DTORHVGOSA-N 1 2 290.341 -1.040 20 0 CAADLO NS(=O)(=O)c1ccc(C[N@H+]2C[C@H](CO)[C@H](CO)C2)o1 ZINC001364708325 887123236 /nfs/dbraw/zinc/12/32/36/887123236.db2.gz MEUKFLFJQTVWPJ-DTORHVGOSA-N 1 2 290.341 -1.040 20 0 CAADLO COC(=O)Cn1cc(C[N@@H+]2C[C@@H](O)C[C@H]2CO)nn1 ZINC001364698919 887123725 /nfs/dbraw/zinc/12/37/25/887123725.db2.gz BWLLRHIAVAUHHL-UWVGGRQHSA-N 1 2 270.289 -1.621 20 0 CAADLO COC(=O)Cn1cc(C[N@H+]2C[C@@H](O)C[C@H]2CO)nn1 ZINC001364698919 887123731 /nfs/dbraw/zinc/12/37/31/887123731.db2.gz BWLLRHIAVAUHHL-UWVGGRQHSA-N 1 2 270.289 -1.621 20 0 CAADLO CNC(=O)Cc1noc(C[N@H+](C[C@@H](C)O)[C@@H](C)CO)n1 ZINC001364696002 887123749 /nfs/dbraw/zinc/12/37/49/887123749.db2.gz YFFGSTOJMYXVGL-DTWKUNHWSA-N 1 2 286.332 -1.078 20 0 CAADLO CNC(=O)Cc1noc(C[N@@H+](C[C@@H](C)O)[C@@H](C)CO)n1 ZINC001364696002 887123751 /nfs/dbraw/zinc/12/37/51/887123751.db2.gz YFFGSTOJMYXVGL-DTWKUNHWSA-N 1 2 286.332 -1.078 20 0 CAADLO Cn1cc[nH+]c1CCNC(=O)Cn1cnc(C(N)=O)n1 ZINC001364753709 887130174 /nfs/dbraw/zinc/13/01/74/887130174.db2.gz CRMLBISYKKWHQZ-UHFFFAOYSA-N 1 2 277.288 -1.531 20 0 CAADLO CN1CC[N@H+](Cc2cc(=O)n3nc(N)[nH]c3n2)CCC1=O ZINC001364752525 887130216 /nfs/dbraw/zinc/13/02/16/887130216.db2.gz AICQUODHXASNRB-UHFFFAOYSA-N 1 2 291.315 -1.336 20 0 CAADLO CN1CC[N@@H+](Cc2cc(=O)n3nc(N)[nH]c3n2)CCC1=O ZINC001364752525 887130220 /nfs/dbraw/zinc/13/02/20/887130220.db2.gz AICQUODHXASNRB-UHFFFAOYSA-N 1 2 291.315 -1.336 20 0 CAADLO CO[C@H](C)c1noc(C[NH+]2C[C@H](C(N)=O)[C@@H](C(N)=O)C2)n1 ZINC001364758276 887132173 /nfs/dbraw/zinc/13/21/73/887132173.db2.gz UBMSXFYLOXWCMV-CSMHCCOUSA-N 1 2 297.315 -1.204 20 0 CAADLO CS(=O)(=O)CCC[NH+]1CCC(NS(N)(=O)=O)CC1 ZINC001364776929 887132995 /nfs/dbraw/zinc/13/29/95/887132995.db2.gz NZOVGUBKYXKXND-UHFFFAOYSA-N 1 2 299.418 -1.321 20 0 CAADLO C[N@H+](CC[C@@H]1CCNC1=O)Cc1nnc2n1CCNC2=O ZINC001364803099 887134941 /nfs/dbraw/zinc/13/49/41/887134941.db2.gz LLPPNCOWIAHRMV-VIFPVBQESA-N 1 2 292.343 -1.021 20 0 CAADLO C[N@@H+](CC[C@@H]1CCNC1=O)Cc1nnc2n1CCNC2=O ZINC001364803099 887134951 /nfs/dbraw/zinc/13/49/51/887134951.db2.gz LLPPNCOWIAHRMV-VIFPVBQESA-N 1 2 292.343 -1.021 20 0 CAADLO COC(=O)[C@H]1CCN(S(=O)(=O)N2CC[NH+](C)CC2)C1 ZINC001364794164 887135500 /nfs/dbraw/zinc/13/55/00/887135500.db2.gz IVFGRRWCKYIQTC-JTQLQIEISA-N 1 2 291.373 -1.027 20 0 CAADLO CN(CC[NH+]1CCOCC1)Cc1nnc2n1CCNC2=O ZINC001364801226 887135548 /nfs/dbraw/zinc/13/55/48/887135548.db2.gz CSFDVUBXQKNCPQ-UHFFFAOYSA-N 1 2 294.359 -1.215 20 0 CAADLO NS(=O)(=O)CCC[N@@H+]1CCC[C@H]2OCCNC(=O)[C@@H]21 ZINC001364786322 887136315 /nfs/dbraw/zinc/13/63/15/887136315.db2.gz WCQCMKYXXNFSFU-NXEZZACHSA-N 1 2 291.373 -1.356 20 0 CAADLO NS(=O)(=O)CCC[N@H+]1CCC[C@H]2OCCNC(=O)[C@@H]21 ZINC001364786322 887136325 /nfs/dbraw/zinc/13/63/25/887136325.db2.gz WCQCMKYXXNFSFU-NXEZZACHSA-N 1 2 291.373 -1.356 20 0 CAADLO Cn1c[nH+]cc1CC(=O)N1CC2(C1)C[C@@H](O)CNC2=O ZINC001364795521 887136818 /nfs/dbraw/zinc/13/68/18/887136818.db2.gz PSYCCKLLBVJMRG-SNVBAGLBSA-N 1 2 278.312 -1.328 20 0 CAADLO Cn1cc(S(=O)(=O)NCC[NH+]2CCC2)c(=O)[nH]c1=O ZINC001364808123 887136945 /nfs/dbraw/zinc/13/69/45/887136945.db2.gz XQLHTYOLEYYCTF-UHFFFAOYSA-N 1 2 288.329 -1.530 20 0 CAADLO CN(C(=O)C[N@@H+]1CCN2CCOC[C@@]2(CO)C1)C1CC1 ZINC001364820855 887138093 /nfs/dbraw/zinc/13/80/93/887138093.db2.gz SLOLKLRDKCAIDO-AWEZNQCLSA-N 1 2 283.372 -1.014 20 0 CAADLO CN(C(=O)C[N@H+]1CCN2CCOC[C@@]2(CO)C1)C1CC1 ZINC001364820855 887138108 /nfs/dbraw/zinc/13/81/08/887138108.db2.gz SLOLKLRDKCAIDO-AWEZNQCLSA-N 1 2 283.372 -1.014 20 0 CAADLO COC[C@@H](NC(=O)C1C[NH+]([C@@H]2CCOC2)C1)c1nn[nH]n1 ZINC001364813648 887138660 /nfs/dbraw/zinc/13/86/60/887138660.db2.gz JRIJQRPLIMKTSQ-NXEZZACHSA-N 1 2 296.331 -1.276 20 0 CAADLO COC[C@H](NC(=O)C1C[NH+]([C@@H]2CCOC2)C1)c1nn[nH]n1 ZINC001364813660 887138828 /nfs/dbraw/zinc/13/88/28/887138828.db2.gz JRIJQRPLIMKTSQ-ZJUUUORDSA-N 1 2 296.331 -1.276 20 0 CAADLO COC[C@H](NC(=O)[C@@H](C)N1CC[NH+](C)CC1)c1nn[nH]n1 ZINC001364813839 887139919 /nfs/dbraw/zinc/13/99/19/887139919.db2.gz KEBNIWKRDPUURW-ZJUUUORDSA-N 1 2 297.363 -1.361 20 0 CAADLO Cn1[nH]c(C[NH2+][C@@H]2C(=O)NCC23CCOCC3)nc1=O ZINC001364816609 887140145 /nfs/dbraw/zinc/14/01/45/887140145.db2.gz COLKLNUQJDMURT-SECBINFHSA-N 1 2 281.316 -1.507 20 0 CAADLO COC[C@H](NS(=O)(=O)N1CC[NH+](C)CC1)C(=O)OC ZINC001364830882 887142209 /nfs/dbraw/zinc/14/22/09/887142209.db2.gz OTGOXJMHILHHIG-VIFPVBQESA-N 1 2 295.361 -1.744 20 0 CAADLO COC[C@H](NS(=O)(=O)N1CC[NH+](C)CC1)C(N)=O ZINC001364828803 887143445 /nfs/dbraw/zinc/14/34/45/887143445.db2.gz NPHISLZHFRBRQY-QMMMGPOBSA-N 1 2 280.350 -2.432 20 0 CAADLO C[C@@H]1C(=O)N(C)CCN1S(=O)(=O)N1CC[NH+](C)CC1 ZINC001364855166 887145492 /nfs/dbraw/zinc/14/54/92/887145492.db2.gz YUTZICLVAMTCHD-SNVBAGLBSA-N 1 2 290.389 -1.359 20 0 CAADLO COC(=O)[C@@H](O)CNS(=O)(=O)N1CC[NH+](C)CC1 ZINC001364840142 887146190 /nfs/dbraw/zinc/14/61/90/887146190.db2.gz USGPNIDNYZCJNN-QMMMGPOBSA-N 1 2 281.334 -2.398 20 0 CAADLO CC(C)N1C[C@@H]([NH2+]Cc2cn(CC(N)=O)nn2)CC1=O ZINC001364873823 887148615 /nfs/dbraw/zinc/14/86/15/887148615.db2.gz NEQXEFNZXJYWPL-VIFPVBQESA-N 1 2 280.332 -1.138 20 0 CAADLO CCn1ncnc1C[NH2+]C[C@@]1(O)CCS(=O)(=O)C1 ZINC001364896025 887152088 /nfs/dbraw/zinc/15/20/88/887152088.db2.gz VGJPYGHZSDCHRZ-JTQLQIEISA-N 1 2 274.346 -1.063 20 0 CAADLO CC(=O)NC1CC[NH+](Cc2cn(CC(N)=O)nn2)CC1 ZINC001364924636 887153898 /nfs/dbraw/zinc/15/38/98/887153898.db2.gz BUUHFQHWRVYGAU-UHFFFAOYSA-N 1 2 280.332 -1.136 20 0 CAADLO CNC(=O)C[N@@H+]1CCCN(C(=O)C2(NC(N)=O)CC2)CC1 ZINC001364901774 887154079 /nfs/dbraw/zinc/15/40/79/887154079.db2.gz HETGQAUEXAMFEV-UHFFFAOYSA-N 1 2 297.359 -1.532 20 0 CAADLO CNC(=O)C[N@H+]1CCCN(C(=O)C2(NC(N)=O)CC2)CC1 ZINC001364901774 887154088 /nfs/dbraw/zinc/15/40/88/887154088.db2.gz HETGQAUEXAMFEV-UHFFFAOYSA-N 1 2 297.359 -1.532 20 0 CAADLO CN(CCS(N)(=O)=O)S(=O)(=O)CCn1cc[nH+]c1 ZINC001364915024 887154458 /nfs/dbraw/zinc/15/44/58/887154458.db2.gz LEZKMEXUUNGVAA-UHFFFAOYSA-N 1 2 296.374 -1.567 20 0 CAADLO NC(=O)Cn1cc(C[NH2+]C2CN(c3ccncn3)C2)nn1 ZINC001364904006 887154956 /nfs/dbraw/zinc/15/49/56/887154956.db2.gz HSVJJPTWSNSJIH-UHFFFAOYSA-N 1 2 288.315 -1.468 20 0 CAADLO CN1CCN(S(=O)(=O)N2CC[N@H+](C)C[C@@H]2CO)CC1 ZINC001364913519 887155002 /nfs/dbraw/zinc/15/50/02/887155002.db2.gz QGPORTFTHZPEPJ-LLVKDONJSA-N 1 2 292.405 -1.913 20 0 CAADLO CCNC(=O)CN(C)S(=O)(=O)N1CC[NH+](C)CC1 ZINC001365037646 887164524 /nfs/dbraw/zinc/16/45/24/887164524.db2.gz AKFZMDIFVGJPBZ-UHFFFAOYSA-N 1 2 278.378 -1.454 20 0 CAADLO O=C(CCc1c[nH]c[nH+]1)N1CCN2[C@@H](CNS2(=O)=O)C1 ZINC001364953688 887157297 /nfs/dbraw/zinc/15/72/97/887157297.db2.gz MYAFZKSIORFCTB-JTQLQIEISA-N 1 2 299.356 -1.297 20 0 CAADLO O=C(CCc1c[nH+]c[nH]1)N1CCN2[C@@H](CNS2(=O)=O)C1 ZINC001364953688 887157299 /nfs/dbraw/zinc/15/72/99/887157299.db2.gz MYAFZKSIORFCTB-JTQLQIEISA-N 1 2 299.356 -1.297 20 0 CAADLO CN1CCN(S(=O)(=O)N2CC[N@H+](C)[C@H](CO)C2)CC1 ZINC001364951491 887158091 /nfs/dbraw/zinc/15/80/91/887158091.db2.gz PIAHYADRLXPHDH-NSHDSACASA-N 1 2 292.405 -1.913 20 0 CAADLO CN1CCN(S(=O)(=O)N2CC[N@@H+](C)[C@H](CO)C2)CC1 ZINC001364951491 887158107 /nfs/dbraw/zinc/15/81/07/887158107.db2.gz PIAHYADRLXPHDH-NSHDSACASA-N 1 2 292.405 -1.913 20 0 CAADLO CN1CCN(S(=O)(=O)NCCn2cc[nH+]c2)CC1 ZINC001365018581 887164368 /nfs/dbraw/zinc/16/43/68/887164368.db2.gz RCNWQNLOUMCZPJ-UHFFFAOYSA-N 1 2 273.362 -1.035 20 0 CAADLO C[C@@H](C(=O)NC[C@@H](O)CS(C)(=O)=O)n1cc[nH+]c1 ZINC001365065438 887167287 /nfs/dbraw/zinc/16/72/87/887167287.db2.gz QAIYXKTZBAREND-DTWKUNHWSA-N 1 2 275.330 -1.034 20 0 CAADLO C[C@H](C(=O)NC[C@@H](O)CS(C)(=O)=O)n1cc[nH+]c1 ZINC001365065441 887167462 /nfs/dbraw/zinc/16/74/62/887167462.db2.gz QAIYXKTZBAREND-RKDXNWHRSA-N 1 2 275.330 -1.034 20 0 CAADLO COc1c(=O)[nH]c(=O)[nH]c1C(=O)N1CC([NH2+]C2COC2)C1 ZINC001365051444 887167845 /nfs/dbraw/zinc/16/78/45/887167845.db2.gz XEWHRVHHXNUJLH-UHFFFAOYSA-N 1 2 296.283 -1.291 20 0 CAADLO C[C@H]1CC[N@H+](CC(=O)NC[C@@H](O)CS(C)(=O)=O)C1 ZINC001365065377 887167932 /nfs/dbraw/zinc/16/79/32/887167932.db2.gz OPOIXFQOCPJERZ-VHSXEESVSA-N 1 2 278.374 -1.150 20 0 CAADLO C[C@H]1CC[N@@H+](CC(=O)NC[C@@H](O)CS(C)(=O)=O)C1 ZINC001365065377 887167943 /nfs/dbraw/zinc/16/79/43/887167943.db2.gz OPOIXFQOCPJERZ-VHSXEESVSA-N 1 2 278.374 -1.150 20 0 CAADLO C[C@@H]1CC[N@H+](CC(=O)NC[C@@H](O)CS(C)(=O)=O)C1 ZINC001365065375 887168175 /nfs/dbraw/zinc/16/81/75/887168175.db2.gz OPOIXFQOCPJERZ-NXEZZACHSA-N 1 2 278.374 -1.150 20 0 CAADLO C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H](O)CS(C)(=O)=O)C1 ZINC001365065375 887168182 /nfs/dbraw/zinc/16/81/82/887168182.db2.gz OPOIXFQOCPJERZ-NXEZZACHSA-N 1 2 278.374 -1.150 20 0 CAADLO Cn1nnc(NC(=O)NCC[N@@H+]2CCC3(C2)OCCO3)n1 ZINC001365078810 887170415 /nfs/dbraw/zinc/17/04/15/887170415.db2.gz ZGVZRQJQOMHWFX-UHFFFAOYSA-N 1 2 297.319 -1.220 20 0 CAADLO Cn1nnc(NC(=O)NCC[N@H+]2CCC3(C2)OCCO3)n1 ZINC001365078810 887170421 /nfs/dbraw/zinc/17/04/21/887170421.db2.gz ZGVZRQJQOMHWFX-UHFFFAOYSA-N 1 2 297.319 -1.220 20 0 CAADLO CN(CCS(N)(=O)=O)C(=O)NCc1c[nH+]cn1C ZINC001365242590 887185748 /nfs/dbraw/zinc/18/57/48/887185748.db2.gz PWYANQVFWFZQIE-UHFFFAOYSA-N 1 2 275.334 -1.150 20 0 CAADLO NS(=O)(=O)CCN1CC[NH+](CCn2cnnn2)CC1 ZINC001365270839 887187668 /nfs/dbraw/zinc/18/76/68/887187668.db2.gz DNUNIHLYABUTMZ-UHFFFAOYSA-N 1 2 289.365 -2.421 20 0 CAADLO O=S1(=O)CCC(O)(C[N@H+]2C[C@H](O)C[C@H](O)C2)CC1 ZINC001365273980 887191013 /nfs/dbraw/zinc/19/10/13/887191013.db2.gz GGRDOARSFMEDSE-AOOOYVTPSA-N 1 2 279.358 -1.646 20 0 CAADLO O=S1(=O)CCC(O)(C[N@@H+]2C[C@H](O)C[C@H](O)C2)CC1 ZINC001365273980 887191019 /nfs/dbraw/zinc/19/10/19/887191019.db2.gz GGRDOARSFMEDSE-AOOOYVTPSA-N 1 2 279.358 -1.646 20 0 CAADLO CC(=O)[C@@](C)(O)C[NH+]1CCN(CCS(N)(=O)=O)CC1 ZINC001365274413 887191314 /nfs/dbraw/zinc/19/13/14/887191314.db2.gz SFHXZMUWJQTUIC-NSHDSACASA-N 1 2 293.389 -1.768 20 0 CAADLO C[C@H](CNC(=O)N[C@@H]1COC[C@@H]1O)[NH+]1CCN(C)CC1 ZINC001365280673 887191579 /nfs/dbraw/zinc/19/15/79/887191579.db2.gz YLTBBPDFKCXEIX-UTUOFQBUSA-N 1 2 286.376 -1.319 20 0 CAADLO COC(=O)CNC(=O)[C@@H](C)[N@@H+]1CC[C@H]2OCC(=O)N[C@@H]2C1 ZINC001365305155 887191803 /nfs/dbraw/zinc/19/18/03/887191803.db2.gz RZQTZFZOCDIVLM-OPRDCNLKSA-N 1 2 299.327 -1.747 20 0 CAADLO COC(=O)CNC(=O)[C@@H](C)[N@H+]1CC[C@H]2OCC(=O)N[C@@H]2C1 ZINC001365305155 887191809 /nfs/dbraw/zinc/19/18/09/887191809.db2.gz RZQTZFZOCDIVLM-OPRDCNLKSA-N 1 2 299.327 -1.747 20 0 CAADLO Cn1cc(N2CC[C@@H]([N@@H+]3CC[C@@H](O)[C@@H](O)C3)C2=O)cn1 ZINC001365323071 887193382 /nfs/dbraw/zinc/19/33/82/887193382.db2.gz RZSNOMJLJXEABU-UTUOFQBUSA-N 1 2 280.328 -1.047 20 0 CAADLO Cn1cc(N2CC[C@@H]([N@H+]3CC[C@@H](O)[C@@H](O)C3)C2=O)cn1 ZINC001365323071 887193390 /nfs/dbraw/zinc/19/33/90/887193390.db2.gz RZSNOMJLJXEABU-UTUOFQBUSA-N 1 2 280.328 -1.047 20 0 CAADLO Cn1nc(C2CC2)nc1C[NH+]1C[C@H](C(N)=O)[C@@H](C(N)=O)C1 ZINC001365318964 887193594 /nfs/dbraw/zinc/19/35/94/887193594.db2.gz SOGUFHNUTPSVAZ-IUCAKERBSA-N 1 2 292.343 -1.289 20 0 CAADLO C[C@@H](NC(=O)C[N@@H+]1CC[C@@H](O)[C@@H](O)C1)C(=O)N(C)C ZINC001365323563 887193836 /nfs/dbraw/zinc/19/38/36/887193836.db2.gz XZDGQHDWWWSFRF-BBBLOLIVSA-N 1 2 273.333 -1.993 20 0 CAADLO C[C@@H](NC(=O)C[N@H+]1CC[C@@H](O)[C@@H](O)C1)C(=O)N(C)C ZINC001365323563 887193839 /nfs/dbraw/zinc/19/38/39/887193839.db2.gz XZDGQHDWWWSFRF-BBBLOLIVSA-N 1 2 273.333 -1.993 20 0 CAADLO Cn1nc(C2CC2)nc1C[NH+]1C[C@@H](C(N)=O)[C@H](C(N)=O)C1 ZINC001365318968 887194339 /nfs/dbraw/zinc/19/43/39/887194339.db2.gz SOGUFHNUTPSVAZ-RKDXNWHRSA-N 1 2 292.343 -1.289 20 0 CAADLO COc1nnc(C[NH+]2C[C@@H](C(N)=O)[C@H](C(N)=O)C2)s1 ZINC001365319097 887194435 /nfs/dbraw/zinc/19/44/35/887194435.db2.gz UZAJKHKSMMCZTB-PHDIDXHHSA-N 1 2 285.329 -1.435 20 0 CAADLO CO[C@@H]1CN(S(=O)(=O)N2CC[NH+](C)CC2)C[C@@H]1OC ZINC001365396434 887205326 /nfs/dbraw/zinc/20/53/26/887205326.db2.gz VBVKZFOCYYKLQI-PHIMTYICSA-N 1 2 293.389 -1.176 20 0 CAADLO C[C@H](C[NH+]1CCOCC1)NC(=O)NCc1nc(N)n[nH]1 ZINC001365425279 887208593 /nfs/dbraw/zinc/20/85/93/887208593.db2.gz FYLSLPCSRHOCFK-MRVPVSSYSA-N 1 2 283.336 -1.093 20 0 CAADLO O=S(=O)(CCn1cc[nH+]c1)NCCn1cnnn1 ZINC001365430000 887208685 /nfs/dbraw/zinc/20/86/85/887208685.db2.gz NPUONFVKLAQPJN-UHFFFAOYSA-N 1 2 271.306 -1.511 20 0 CAADLO CNS(=O)(=O)N1CCC[N@H+](CC(=O)N(C)C)CC1 ZINC001365462144 887217349 /nfs/dbraw/zinc/21/73/49/887217349.db2.gz UKTLWPLJNFGPGR-UHFFFAOYSA-N 1 2 278.378 -1.454 20 0 CAADLO CNS(=O)(=O)N1CCC[N@@H+](CC(=O)N(C)C)CC1 ZINC001365462144 887217366 /nfs/dbraw/zinc/21/73/66/887217366.db2.gz UKTLWPLJNFGPGR-UHFFFAOYSA-N 1 2 278.378 -1.454 20 0 CAADLO C[C@@H](Cn1cncn1)[NH2+]Cc1nnc2n1CCNC2=O ZINC001365612652 887224985 /nfs/dbraw/zinc/22/49/85/887224985.db2.gz LGSQBAZNMWZTMN-QMMMGPOBSA-N 1 2 276.304 -1.209 20 0 CAADLO CCNC(=O)[C@H](C)NS(=O)(=O)N1CC[NH+](C)CC1 ZINC001365633540 887225541 /nfs/dbraw/zinc/22/55/41/887225541.db2.gz BOLROFKDEJDIKC-VIFPVBQESA-N 1 2 278.378 -1.407 20 0 CAADLO CCn1ncc(C[NH2+]C(C)(C)CNS(N)(=O)=O)n1 ZINC001365613634 887228367 /nfs/dbraw/zinc/22/83/67/887228367.db2.gz UNKCJWMJOJVBDS-UHFFFAOYSA-N 1 2 276.366 -1.041 20 0 CAADLO COC(=O)[C@@H](C)CNS(=O)(=O)N1CC[NH+](C)CC1 ZINC001365680483 887234311 /nfs/dbraw/zinc/23/43/11/887234311.db2.gz KGDIGJPYTDXVHC-VIFPVBQESA-N 1 2 279.362 -1.123 20 0 CAADLO COCCN(CCO)S(=O)(=O)N1CC[NH+](C)CC1 ZINC001365667373 887235879 /nfs/dbraw/zinc/23/58/79/887235879.db2.gz XHWPBXXUJWALID-UHFFFAOYSA-N 1 2 281.378 -1.581 20 0 CAADLO Cn1c[nH+]c(CCNS(=O)(=O)[C@@H]2COC[C@H]2O)c1 ZINC001365712529 887238570 /nfs/dbraw/zinc/23/85/70/887238570.db2.gz IAXOJNZMOJPZMF-NXEZZACHSA-N 1 2 275.330 -1.358 20 0 CAADLO CCN(C)C(=O)[C@H](C)NS(=O)(=O)N1CC[NH+](C)CC1 ZINC001365704502 887238646 /nfs/dbraw/zinc/23/86/46/887238646.db2.gz PFNQRWPMWITEQA-JTQLQIEISA-N 1 2 292.405 -1.065 20 0 CAADLO CCN(C)C(=O)CNS(=O)(=O)N1CC[NH+](C)CC1 ZINC001365702265 887239694 /nfs/dbraw/zinc/23/96/94/887239694.db2.gz PJRACRQKRIPXAG-UHFFFAOYSA-N 1 2 278.378 -1.454 20 0 CAADLO CC[C@@](C)(NS(=O)(=O)N1CC[NH+](C)CC1)C(N)=O ZINC001365742542 887247226 /nfs/dbraw/zinc/24/72/26/887247226.db2.gz ALLILLAXJUCVKS-SNVBAGLBSA-N 1 2 278.378 -1.278 20 0 CAADLO C[C@@H]1[C@@H](NC(=O)CS(C)(=O)=O)CC[N@@H+]1CCCO ZINC001365887765 887251040 /nfs/dbraw/zinc/25/10/40/887251040.db2.gz HNNJDJJWNSCCPL-ZJUUUORDSA-N 1 2 278.374 -1.008 20 0 CAADLO C[C@@H]1[C@@H](NC(=O)CS(C)(=O)=O)CC[N@H+]1CCCO ZINC001365887765 887251056 /nfs/dbraw/zinc/25/10/56/887251056.db2.gz HNNJDJJWNSCCPL-ZJUUUORDSA-N 1 2 278.374 -1.008 20 0 CAADLO CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@@H](C)NC(C)=O)C1 ZINC001365968917 887253422 /nfs/dbraw/zinc/25/34/22/887253422.db2.gz JQCWCKJTPCRTOW-MWLCHTKSSA-N 1 2 284.360 -1.162 20 0 CAADLO CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@@H](C)NC(C)=O)C1 ZINC001365968917 887253438 /nfs/dbraw/zinc/25/34/38/887253438.db2.gz JQCWCKJTPCRTOW-MWLCHTKSSA-N 1 2 284.360 -1.162 20 0 CAADLO CC(C)NC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@H](C)NC(N)=O)C1 ZINC001365970827 887253516 /nfs/dbraw/zinc/25/35/16/887253516.db2.gz ITSGYEPMNMWWPE-VHSXEESVSA-N 1 2 299.375 -1.242 20 0 CAADLO CC(C)NC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@H](C)NC(N)=O)C1 ZINC001365970827 887253532 /nfs/dbraw/zinc/25/35/32/887253532.db2.gz ITSGYEPMNMWWPE-VHSXEESVSA-N 1 2 299.375 -1.242 20 0 CAADLO COCCC(=O)NCCN1CC[NH+]([C@H]2CCNC2=O)CC1 ZINC001365958065 887256356 /nfs/dbraw/zinc/25/63/56/887256356.db2.gz ZTMIHUBGUGMHNJ-LBPRGKRZSA-N 1 2 298.387 -1.355 20 0 CAADLO Cn1cnn(CCC(=O)N[C@H]2CC[N@H+](CC(N)=O)C2)c1=O ZINC001365978661 887259377 /nfs/dbraw/zinc/25/93/77/887259377.db2.gz IXICWHXJVSDOQZ-VIFPVBQESA-N 1 2 296.331 -2.352 20 0 CAADLO Cn1cnn(CCC(=O)N[C@H]2CC[N@@H+](CC(N)=O)C2)c1=O ZINC001365978661 887259396 /nfs/dbraw/zinc/25/93/96/887259396.db2.gz IXICWHXJVSDOQZ-VIFPVBQESA-N 1 2 296.331 -2.352 20 0 CAADLO COC[C@H](OC)C(=O)N[C@@H]1CC[N@H+](CC(=O)N(C)C)C1 ZINC001365997363 887260183 /nfs/dbraw/zinc/26/01/83/887260183.db2.gz NUVQWACVHAVOMN-MNOVXSKESA-N 1 2 287.360 -1.074 20 0 CAADLO COC[C@H](OC)C(=O)N[C@@H]1CC[N@@H+](CC(=O)N(C)C)C1 ZINC001365997363 887260194 /nfs/dbraw/zinc/26/01/94/887260194.db2.gz NUVQWACVHAVOMN-MNOVXSKESA-N 1 2 287.360 -1.074 20 0 CAADLO CCCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cn2cncn2)C1 ZINC001366000804 887260803 /nfs/dbraw/zinc/26/08/03/887260803.db2.gz IIDHYIWYURKXCZ-LLVKDONJSA-N 1 2 294.359 -1.005 20 0 CAADLO CCCNC(=O)C[N@H+]1CC[C@@H](NC(=O)Cn2cncn2)C1 ZINC001366000804 887260820 /nfs/dbraw/zinc/26/08/20/887260820.db2.gz IIDHYIWYURKXCZ-LLVKDONJSA-N 1 2 294.359 -1.005 20 0 CAADLO COC[C@@H](OC)C(=O)N[C@@H]1CC[N@H+](CC(=O)N(C)C)C1 ZINC001365997361 887261177 /nfs/dbraw/zinc/26/11/77/887261177.db2.gz NUVQWACVHAVOMN-GHMZBOCLSA-N 1 2 287.360 -1.074 20 0 CAADLO COC[C@@H](OC)C(=O)N[C@@H]1CC[N@@H+](CC(=O)N(C)C)C1 ZINC001365997361 887261198 /nfs/dbraw/zinc/26/11/98/887261198.db2.gz NUVQWACVHAVOMN-GHMZBOCLSA-N 1 2 287.360 -1.074 20 0 CAADLO CCCNC(=O)C[N@@H+]1CC[C@H](NC(=O)Cn2cncn2)C1 ZINC001366000807 887261427 /nfs/dbraw/zinc/26/14/27/887261427.db2.gz IIDHYIWYURKXCZ-NSHDSACASA-N 1 2 294.359 -1.005 20 0 CAADLO CCCNC(=O)C[N@H+]1CC[C@H](NC(=O)Cn2cncn2)C1 ZINC001366000807 887261446 /nfs/dbraw/zinc/26/14/46/887261446.db2.gz IIDHYIWYURKXCZ-NSHDSACASA-N 1 2 294.359 -1.005 20 0 CAADLO COC[C@@H](OC)C(=O)N[C@H]1CC[N@H+](CC(=O)N(C)C)C1 ZINC001365997365 887264120 /nfs/dbraw/zinc/26/41/20/887264120.db2.gz NUVQWACVHAVOMN-WDEREUQCSA-N 1 2 287.360 -1.074 20 0 CAADLO C[C@H](C(=O)NC(N)=O)[N@@H+]1CC[C@H](NC(=O)c2ncc[nH]2)C1 ZINC001365976064 887263594 /nfs/dbraw/zinc/26/35/94/887263594.db2.gz LQVPLEFYSKZAFT-SFYZADRCSA-N 1 2 294.315 -1.203 20 0 CAADLO C[C@H](C(=O)NC(N)=O)[N@H+]1CC[C@H](NC(=O)c2ncc[nH]2)C1 ZINC001365976064 887263612 /nfs/dbraw/zinc/26/36/12/887263612.db2.gz LQVPLEFYSKZAFT-SFYZADRCSA-N 1 2 294.315 -1.203 20 0 CAADLO COC[C@@H](OC)C(=O)N[C@H]1CC[N@@H+](CC(=O)N(C)C)C1 ZINC001365997365 887264133 /nfs/dbraw/zinc/26/41/33/887264133.db2.gz NUVQWACVHAVOMN-WDEREUQCSA-N 1 2 287.360 -1.074 20 0 CAADLO CO[C@H](C)C(=O)N[C@@H]1CC[N@H+](CCNS(C)(=O)=O)C1 ZINC001365985837 887264339 /nfs/dbraw/zinc/26/43/39/887264339.db2.gz NTWFPMBYSZOJAO-NXEZZACHSA-N 1 2 293.389 -1.239 20 0 CAADLO CO[C@H](C)C(=O)N[C@@H]1CC[N@@H+](CCNS(C)(=O)=O)C1 ZINC001365985837 887264357 /nfs/dbraw/zinc/26/43/57/887264357.db2.gz NTWFPMBYSZOJAO-NXEZZACHSA-N 1 2 293.389 -1.239 20 0 CAADLO CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2c[nH]c(=O)cn2)C1 ZINC001365982743 887264389 /nfs/dbraw/zinc/26/43/89/887264389.db2.gz NAGWXFJCXKMDJX-VIFPVBQESA-N 1 2 293.327 -1.290 20 0 CAADLO CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2c[nH]c(=O)cn2)C1 ZINC001365982743 887264406 /nfs/dbraw/zinc/26/44/06/887264406.db2.gz NAGWXFJCXKMDJX-VIFPVBQESA-N 1 2 293.327 -1.290 20 0 CAADLO CC[C@H](NC(C)=O)C(=O)N[C@@H]1CC[N@H+](CC(=O)NC)C1 ZINC001365982635 887264509 /nfs/dbraw/zinc/26/45/09/887264509.db2.gz BGPUVRLYTRGUBE-MNOVXSKESA-N 1 2 284.360 -1.162 20 0 CAADLO CC[C@H](NC(C)=O)C(=O)N[C@@H]1CC[N@@H+](CC(=O)NC)C1 ZINC001365982635 887264525 /nfs/dbraw/zinc/26/45/25/887264525.db2.gz BGPUVRLYTRGUBE-MNOVXSKESA-N 1 2 284.360 -1.162 20 0 CAADLO C[C@@H](C(=O)NC(N)=O)[N@@H+]1CC[C@@H](NC(=O)c2ncc[nH]2)C1 ZINC001365976062 887265299 /nfs/dbraw/zinc/26/52/99/887265299.db2.gz LQVPLEFYSKZAFT-JGVFFNPUSA-N 1 2 294.315 -1.203 20 0 CAADLO C[C@@H](C(=O)NC(N)=O)[N@H+]1CC[C@@H](NC(=O)c2ncc[nH]2)C1 ZINC001365976062 887265314 /nfs/dbraw/zinc/26/53/14/887265314.db2.gz LQVPLEFYSKZAFT-JGVFFNPUSA-N 1 2 294.315 -1.203 20 0 CAADLO C[C@H](CNC(=O)CS(C)(=O)=O)[NH2+]Cc1nnnn1C ZINC001366258989 887278426 /nfs/dbraw/zinc/27/84/26/887278426.db2.gz LADBFIAOIDWVGA-SSDOTTSWSA-N 1 2 290.349 -2.151 20 0 CAADLO CCC(=O)NCC(=O)NC[C@H](C)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001366269011 887278659 /nfs/dbraw/zinc/27/86/59/887278659.db2.gz LZZTULZDLDQRRG-QMMMGPOBSA-N 1 2 298.347 -1.771 20 0 CAADLO C[C@H](CNC(=O)Cc1cc[nH]n1)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001366268814 887279462 /nfs/dbraw/zinc/27/94/62/887279462.db2.gz VXWCBUONYOWVGP-MRVPVSSYSA-N 1 2 293.331 -1.332 20 0 CAADLO CCOCC(=O)NC[C@@H](C)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001366254052 887279910 /nfs/dbraw/zinc/27/99/10/887279910.db2.gz RXSGPHFYQFPQNN-MRVPVSSYSA-N 1 2 271.321 -1.261 20 0 CAADLO C[C@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)[NH2+]Cc1n[nH]c(=O)[n-]1 ZINC001366266284 887280619 /nfs/dbraw/zinc/28/06/19/887280619.db2.gz SPPVASQLGSBVQY-BDAKNGLRSA-N 1 2 298.347 -1.565 20 0 CAADLO C[C@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)[NH2+]Cc1n[nH]c(=O)[n-]1 ZINC001366266284 887280637 /nfs/dbraw/zinc/28/06/37/887280637.db2.gz SPPVASQLGSBVQY-BDAKNGLRSA-N 1 2 298.347 -1.565 20 0 CAADLO C[C@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)[NH2+]Cc1n[nH]c(=O)[n-]1 ZINC001366266321 887280780 /nfs/dbraw/zinc/28/07/80/887280780.db2.gz SPPVASQLGSBVQY-RKDXNWHRSA-N 1 2 298.347 -1.565 20 0 CAADLO C[C@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)[NH2+]Cc1n[nH]c(=O)[n-]1 ZINC001366266321 887280794 /nfs/dbraw/zinc/28/07/94/887280794.db2.gz SPPVASQLGSBVQY-RKDXNWHRSA-N 1 2 298.347 -1.565 20 0 CAADLO COCC(=O)N(C)CC(=O)NC[C@H](C)[NH2+]Cc1cnon1 ZINC001366283972 887283712 /nfs/dbraw/zinc/28/37/12/887283712.db2.gz QUDGTQUAZUTYMA-VIFPVBQESA-N 1 2 299.331 -1.231 20 0 CAADLO C[C@H](CNC(=O)Cc1c[nH+]cn1C)NCc1nnn(C)n1 ZINC001366342352 887291377 /nfs/dbraw/zinc/29/13/77/887291377.db2.gz HQQWUVKCXHDJIU-SECBINFHSA-N 1 2 292.347 -1.219 20 0 CAADLO C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)NCc1nc(=O)n(C)[nH]1 ZINC001366360341 887296798 /nfs/dbraw/zinc/29/67/98/887296798.db2.gz UKDKQXOWLJCBLA-VHSXEESVSA-N 1 2 296.375 -1.346 20 0 CAADLO C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)NCc1nc(=O)n(C)[nH]1 ZINC001366360341 887296813 /nfs/dbraw/zinc/29/68/13/887296813.db2.gz UKDKQXOWLJCBLA-VHSXEESVSA-N 1 2 296.375 -1.346 20 0 CAADLO C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)NCc1nc(=O)n(C)[nH]1 ZINC001366360246 887297165 /nfs/dbraw/zinc/29/71/65/887297165.db2.gz UKDKQXOWLJCBLA-NXEZZACHSA-N 1 2 296.375 -1.346 20 0 CAADLO C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)NCc1nc(=O)n(C)[nH]1 ZINC001366360246 887297182 /nfs/dbraw/zinc/29/71/82/887297182.db2.gz UKDKQXOWLJCBLA-NXEZZACHSA-N 1 2 296.375 -1.346 20 0 CAADLO Cn1nccc1C[N@H+](C)CCNC(=O)Cn1cnnn1 ZINC001366505828 887302480 /nfs/dbraw/zinc/30/24/80/887302480.db2.gz OPWBAHXDGFGDJY-UHFFFAOYSA-N 1 2 278.320 -1.345 20 0 CAADLO Cn1nccc1C[N@@H+](C)CCNC(=O)Cn1cnnn1 ZINC001366505828 887302492 /nfs/dbraw/zinc/30/24/92/887302492.db2.gz OPWBAHXDGFGDJY-UHFFFAOYSA-N 1 2 278.320 -1.345 20 0 CAADLO CN(C(=O)C[N@H+](C)CCNC(=O)[C@H]1CCC(=O)N1)C1CC1 ZINC001366517820 887302579 /nfs/dbraw/zinc/30/25/79/887302579.db2.gz GHLCLRBPXDBOTD-LLVKDONJSA-N 1 2 296.371 -1.066 20 0 CAADLO CN(C(=O)C[N@@H+](C)CCNC(=O)[C@H]1CCC(=O)N1)C1CC1 ZINC001366517820 887302586 /nfs/dbraw/zinc/30/25/86/887302586.db2.gz GHLCLRBPXDBOTD-LLVKDONJSA-N 1 2 296.371 -1.066 20 0 CAADLO CC(=O)NCC(=O)NCC[N@@H+](C)CC(=O)NC(C)C ZINC001366510451 887303569 /nfs/dbraw/zinc/30/35/69/887303569.db2.gz RLKVSXVAKPSLHT-UHFFFAOYSA-N 1 2 272.349 -1.305 20 0 CAADLO CC(=O)NCC(=O)NCC[N@H+](C)CC(=O)NC(C)C ZINC001366510451 887303587 /nfs/dbraw/zinc/30/35/87/887303587.db2.gz RLKVSXVAKPSLHT-UHFFFAOYSA-N 1 2 272.349 -1.305 20 0 CAADLO Cn1[nH]c(C[N@H+](C)CCNC(=O)[C@H]2CCC(=O)N2)nc1=O ZINC001366521549 887308090 /nfs/dbraw/zinc/30/80/90/887308090.db2.gz UPAIHWHIOVHFID-MRVPVSSYSA-N 1 2 296.331 -2.065 20 0 CAADLO Cn1[nH]c(C[N@@H+](C)CCNC(=O)[C@H]2CCC(=O)N2)nc1=O ZINC001366521549 887308101 /nfs/dbraw/zinc/30/81/01/887308101.db2.gz UPAIHWHIOVHFID-MRVPVSSYSA-N 1 2 296.331 -2.065 20 0 CAADLO COC(=O)NCC(=O)NCC[N@H+](C)CC(=O)NC(C)C ZINC001366522422 887310211 /nfs/dbraw/zinc/31/02/11/887310211.db2.gz ZLYAHMWTVUGOTA-UHFFFAOYSA-N 1 2 288.348 -1.085 20 0 CAADLO COC(=O)NCC(=O)NCC[N@@H+](C)CC(=O)NC(C)C ZINC001366522422 887310214 /nfs/dbraw/zinc/31/02/14/887310214.db2.gz ZLYAHMWTVUGOTA-UHFFFAOYSA-N 1 2 288.348 -1.085 20 0 CAADLO CNC(=O)NCC(=O)NCC[N@H+](C)CC(=O)NCC1CC1 ZINC001366539968 887311143 /nfs/dbraw/zinc/31/11/43/887311143.db2.gz XHCZJGOGFREOHE-UHFFFAOYSA-N 1 2 299.375 -1.510 20 0 CAADLO CNC(=O)NCC(=O)NCC[N@@H+](C)CC(=O)NCC1CC1 ZINC001366539968 887311152 /nfs/dbraw/zinc/31/11/52/887311152.db2.gz XHCZJGOGFREOHE-UHFFFAOYSA-N 1 2 299.375 -1.510 20 0 CAADLO CCN(C)C(=O)C[N@H+](C)CCNC(=O)CNC(=O)OC ZINC001366522250 887311178 /nfs/dbraw/zinc/31/11/78/887311178.db2.gz XXGJXLBSSKLWJS-UHFFFAOYSA-N 1 2 288.348 -1.131 20 0 CAADLO CCN(C)C(=O)C[N@@H+](C)CCNC(=O)CNC(=O)OC ZINC001366522250 887311187 /nfs/dbraw/zinc/31/11/87/887311187.db2.gz XXGJXLBSSKLWJS-UHFFFAOYSA-N 1 2 288.348 -1.131 20 0 CAADLO C[N@H+](CCNC(=O)c1cn2c(n1)COCC2)CC(N)=O ZINC001366539614 887311884 /nfs/dbraw/zinc/31/18/84/887311884.db2.gz MEXYXZXVSPTPMR-UHFFFAOYSA-N 1 2 281.316 -1.440 20 0 CAADLO C[N@@H+](CCNC(=O)c1cn2c(n1)COCC2)CC(N)=O ZINC001366539614 887311899 /nfs/dbraw/zinc/31/18/99/887311899.db2.gz MEXYXZXVSPTPMR-UHFFFAOYSA-N 1 2 281.316 -1.440 20 0 CAADLO C[N@H+](CCNC(=O)[C@H]1CNC(=O)N1)CC(=O)NC(C)(C)C ZINC001366563116 887313437 /nfs/dbraw/zinc/31/34/37/887313437.db2.gz GFMNJRTWGLQIQW-SECBINFHSA-N 1 2 299.375 -1.370 20 0 CAADLO C[N@@H+](CCNC(=O)[C@H]1CNC(=O)N1)CC(=O)NC(C)(C)C ZINC001366563116 887313452 /nfs/dbraw/zinc/31/34/52/887313452.db2.gz GFMNJRTWGLQIQW-SECBINFHSA-N 1 2 299.375 -1.370 20 0 CAADLO CNC(=O)C[N@H+](C)CCNC(=O)CN1CCCCC1=O ZINC001366545824 887313521 /nfs/dbraw/zinc/31/35/21/887313521.db2.gz NKBVUOWPENVFEB-UHFFFAOYSA-N 1 2 284.360 -1.207 20 0 CAADLO CNC(=O)C[N@@H+](C)CCNC(=O)CN1CCCCC1=O ZINC001366545824 887313536 /nfs/dbraw/zinc/31/35/36/887313536.db2.gz NKBVUOWPENVFEB-UHFFFAOYSA-N 1 2 284.360 -1.207 20 0 CAADLO C[N@H+](CCNC(=O)[C@@H]1CCn2cncc2C1)CC(N)=O ZINC001366545905 887314643 /nfs/dbraw/zinc/31/46/43/887314643.db2.gz XQHLBIGKWXXICW-SNVBAGLBSA-N 1 2 279.344 -1.021 20 0 CAADLO C[N@@H+](CCNC(=O)[C@@H]1CCn2cncc2C1)CC(N)=O ZINC001366545905 887314660 /nfs/dbraw/zinc/31/46/60/887314660.db2.gz XQHLBIGKWXXICW-SNVBAGLBSA-N 1 2 279.344 -1.021 20 0 CAADLO CN1C(=O)CC[C@@H]1C(=O)NCC[N@H+](C)CC(=O)N1CCC1 ZINC001366557697 887314706 /nfs/dbraw/zinc/31/47/06/887314706.db2.gz VYTUQQMINIRZIY-LLVKDONJSA-N 1 2 296.371 -1.113 20 0 CAADLO CN1C(=O)CC[C@@H]1C(=O)NCC[N@@H+](C)CC(=O)N1CCC1 ZINC001366557697 887314720 /nfs/dbraw/zinc/31/47/20/887314720.db2.gz VYTUQQMINIRZIY-LLVKDONJSA-N 1 2 296.371 -1.113 20 0 CAADLO Cn1ncc(C(=O)NCC[N@H+](C)Cc2nc(=O)n(C)[nH]2)n1 ZINC001366579091 887314768 /nfs/dbraw/zinc/31/47/68/887314768.db2.gz FEMGVDLUYFQLKI-UHFFFAOYSA-N 1 2 294.319 -1.901 20 0 CAADLO Cn1ncc(C(=O)NCC[N@@H+](C)Cc2nc(=O)n(C)[nH]2)n1 ZINC001366579091 887314775 /nfs/dbraw/zinc/31/47/75/887314775.db2.gz FEMGVDLUYFQLKI-UHFFFAOYSA-N 1 2 294.319 -1.901 20 0 CAADLO CNC(=O)C[N@H+](C)CCNC(=O)[C@H](C)NS(C)(=O)=O ZINC001366567059 887315102 /nfs/dbraw/zinc/31/51/02/887315102.db2.gz JGGHAUULSQAJEH-QMMMGPOBSA-N 1 2 294.377 -2.282 20 0 CAADLO CNC(=O)C[N@@H+](C)CCNC(=O)[C@H](C)NS(C)(=O)=O ZINC001366567059 887315111 /nfs/dbraw/zinc/31/51/11/887315111.db2.gz JGGHAUULSQAJEH-QMMMGPOBSA-N 1 2 294.377 -2.282 20 0 CAADLO CN(C)C(=O)C[N@H+](C)CCNC(=O)[C@@H]1CNC(=O)N1 ZINC001366567633 887315984 /nfs/dbraw/zinc/31/59/84/887315984.db2.gz XDPTXDMKTNPYAT-QMMMGPOBSA-N 1 2 271.321 -2.196 20 0 CAADLO CN(C)C(=O)C[N@@H+](C)CCNC(=O)[C@@H]1CNC(=O)N1 ZINC001366567633 887315995 /nfs/dbraw/zinc/31/59/95/887315995.db2.gz XDPTXDMKTNPYAT-QMMMGPOBSA-N 1 2 271.321 -2.196 20 0 CAADLO CS(=O)(=O)CC(=O)NC[C@@H]1CCC[N@@H+]1CCCO ZINC001366648037 887321175 /nfs/dbraw/zinc/32/11/75/887321175.db2.gz FUIYCPYJGQGDSS-JTQLQIEISA-N 1 2 278.374 -1.006 20 0 CAADLO CS(=O)(=O)CC(=O)NC[C@@H]1CCC[N@H+]1CCCO ZINC001366648037 887321189 /nfs/dbraw/zinc/32/11/89/887321189.db2.gz FUIYCPYJGQGDSS-JTQLQIEISA-N 1 2 278.374 -1.006 20 0 CAADLO CC[N@H+](CCNC(=O)Cc1nnc[nH]1)[C@@H]1CCNC1=O ZINC001366640515 887322092 /nfs/dbraw/zinc/32/20/92/887322092.db2.gz YAURGGUPWBXLEY-SECBINFHSA-N 1 2 280.332 -1.326 20 0 CAADLO CC[N@@H+](CCNC(=O)Cc1nnc[nH]1)[C@@H]1CCNC1=O ZINC001366640515 887322101 /nfs/dbraw/zinc/32/21/01/887322101.db2.gz YAURGGUPWBXLEY-SECBINFHSA-N 1 2 280.332 -1.326 20 0 CAADLO CNC(=O)C[N@H+](C)CCNC(=O)c1cn(CC(N)=O)nn1 ZINC001366597951 887324391 /nfs/dbraw/zinc/32/43/91/887324391.db2.gz VTXSWBOWPBTHBW-UHFFFAOYSA-N 1 2 297.319 -2.829 20 0 CAADLO CNC(=O)C[N@@H+](C)CCNC(=O)c1cn(CC(N)=O)nn1 ZINC001366597951 887324396 /nfs/dbraw/zinc/32/43/96/887324396.db2.gz VTXSWBOWPBTHBW-UHFFFAOYSA-N 1 2 297.319 -2.829 20 0 CAADLO CN(CCNC(=O)Cn1cc[nH+]c1)Cc1nnn(C)n1 ZINC001366594640 887324664 /nfs/dbraw/zinc/32/46/64/887324664.db2.gz CMOKJAHAPCGMFK-UHFFFAOYSA-N 1 2 278.320 -1.345 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)CCc2nc[nH]n2)C1 ZINC001366685259 887328572 /nfs/dbraw/zinc/32/85/72/887328572.db2.gz WCPJNJHGQYQGFZ-JTQLQIEISA-N 1 2 294.359 -1.079 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](CNC(=O)CCc2nc[nH]n2)C1 ZINC001366685259 887328583 /nfs/dbraw/zinc/32/85/83/887328583.db2.gz WCPJNJHGQYQGFZ-JTQLQIEISA-N 1 2 294.359 -1.079 20 0 CAADLO CCCN(C(=O)[C@H](C)NC(N)=O)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001366822809 887339183 /nfs/dbraw/zinc/33/91/83/887339183.db2.gz RBUNBGIHTWWHAH-VHSXEESVSA-N 1 2 299.375 -1.159 20 0 CAADLO CCCN(C(=O)[C@H](C)NC(N)=O)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001366822809 887339197 /nfs/dbraw/zinc/33/91/97/887339197.db2.gz RBUNBGIHTWWHAH-VHSXEESVSA-N 1 2 299.375 -1.159 20 0 CAADLO COC[C@H](O)C[NH+]1CC(NC(=O)Cn2cnnn2)C1 ZINC001366908555 887339294 /nfs/dbraw/zinc/33/92/94/887339294.db2.gz CMBVVBWTAWZVOM-SECBINFHSA-N 1 2 270.293 -2.519 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(NC(=O)[C@@H]2COCCO2)C1 ZINC001366911429 887339582 /nfs/dbraw/zinc/33/95/82/887339582.db2.gz MXSXLEMFDQPWRI-QWRGUYRKSA-N 1 2 274.317 -1.791 20 0 CAADLO CCCN(C(=O)Cn1cnnn1)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001366801785 887339605 /nfs/dbraw/zinc/33/96/05/887339605.db2.gz OHCPJVLZXQQOTN-SNVBAGLBSA-N 1 2 295.347 -1.529 20 0 CAADLO CCCN(C(=O)Cn1cnnn1)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001366801785 887339620 /nfs/dbraw/zinc/33/96/20/887339620.db2.gz OHCPJVLZXQQOTN-SNVBAGLBSA-N 1 2 295.347 -1.529 20 0 CAADLO COC[C@H](OC)C(=O)N[C@H]1CCC[N@H+](CC(N)=O)C1 ZINC001366906811 887339722 /nfs/dbraw/zinc/33/97/22/887339722.db2.gz WHSZTPKNGPBBFQ-UWVGGRQHSA-N 1 2 273.333 -1.286 20 0 CAADLO COC[C@H](OC)C(=O)N[C@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001366906811 887339732 /nfs/dbraw/zinc/33/97/32/887339732.db2.gz WHSZTPKNGPBBFQ-UWVGGRQHSA-N 1 2 273.333 -1.286 20 0 CAADLO COC[C@@H](OC)C(=O)N[C@H]1CCC[N@H+](CC(N)=O)C1 ZINC001366906814 887340576 /nfs/dbraw/zinc/34/05/76/887340576.db2.gz WHSZTPKNGPBBFQ-VHSXEESVSA-N 1 2 273.333 -1.286 20 0 CAADLO COC[C@@H](OC)C(=O)N[C@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001366906814 887340585 /nfs/dbraw/zinc/34/05/85/887340585.db2.gz WHSZTPKNGPBBFQ-VHSXEESVSA-N 1 2 273.333 -1.286 20 0 CAADLO CN(CC[NH2+][C@H]1CCN(C)C1=O)C(=O)Cc1ncn[nH]1 ZINC001366781189 887340152 /nfs/dbraw/zinc/34/01/52/887340152.db2.gz XHQZTMRTMYWVLA-VIFPVBQESA-N 1 2 280.332 -1.374 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@H](NC(=O)CCNC(N)=O)C1 ZINC001366907396 887340193 /nfs/dbraw/zinc/34/01/93/887340193.db2.gz NGAFHZAHZWHDNR-QMMMGPOBSA-N 1 2 271.321 -1.889 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@H](NC(=O)CCNC(N)=O)C1 ZINC001366907396 887340203 /nfs/dbraw/zinc/34/02/03/887340203.db2.gz NGAFHZAHZWHDNR-QMMMGPOBSA-N 1 2 271.321 -1.889 20 0 CAADLO COC[C@H](O)C[NH+]1CC(NC(=O)c2nccnc2N)C1 ZINC001366915584 887344110 /nfs/dbraw/zinc/34/41/10/887344110.db2.gz FHPYQJJQDPPGQR-SECBINFHSA-N 1 2 281.316 -1.520 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(NC(=O)C[C@H]2CCC(=O)NC2)C1 ZINC001366926964 887344170 /nfs/dbraw/zinc/34/41/70/887344170.db2.gz OGZIITJDIYEPRQ-PWSUYJOCSA-N 1 2 299.371 -1.290 20 0 CAADLO COC[C@H](O)C[NH+]1CC(NC(=O)CN(C)C(=O)C2CC2)C1 ZINC001366920271 887345262 /nfs/dbraw/zinc/34/52/62/887345262.db2.gz OYHUTQVAYPFGQM-GFCCVEGCSA-N 1 2 299.371 -1.338 20 0 CAADLO C[C@H](NC(N)=O)C(=O)NC1C[NH+](CCn2cccn2)C1 ZINC001366915292 887346072 /nfs/dbraw/zinc/34/60/72/887346072.db2.gz CNCBASGKSHFYEN-VIFPVBQESA-N 1 2 280.332 -1.260 20 0 CAADLO COC[C@H](O)C[NH+]1CC(NC(=O)c2cn(C)nc2OC)C1 ZINC001366931581 887347395 /nfs/dbraw/zinc/34/73/95/887347395.db2.gz KVCGXYHOQSMXOL-SNVBAGLBSA-N 1 2 298.343 -1.150 20 0 CAADLO CC(F)(F)C(=O)NCC1C[NH+](CC(=O)NC(N)=O)C1 ZINC001366950821 887347460 /nfs/dbraw/zinc/34/74/60/887347460.db2.gz BDBWYRHSKSOMLN-UHFFFAOYSA-N 1 2 278.259 -1.116 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(NC(=O)[C@@H]2CCNC(=O)CC2)C1 ZINC001366930191 887347990 /nfs/dbraw/zinc/34/79/90/887347990.db2.gz LLTFQTFHSQKZHX-JQWIXIFHSA-N 1 2 299.371 -1.290 20 0 CAADLO COC[C@H](O)C[NH+]1CC(NC(=O)[C@H](COC)OC)C1 ZINC001366939904 887348282 /nfs/dbraw/zinc/34/82/82/887348282.db2.gz IRCKNLYRJASOHV-MNOVXSKESA-N 1 2 276.333 -1.545 20 0 CAADLO COC[C@H](O)C[NH+]1CC(NC(=O)Cn2ncn(C)c2=O)C1 ZINC001366929798 887348718 /nfs/dbraw/zinc/34/87/18/887348718.db2.gz WYVVOCZJWPTDNE-SNVBAGLBSA-N 1 2 299.331 -2.611 20 0 CAADLO CCc1noc(COCC(=O)NC2C[NH+](CCO)C2)n1 ZINC001366940863 887349043 /nfs/dbraw/zinc/34/90/43/887349043.db2.gz PBMGIEOGIIGEHV-UHFFFAOYSA-N 1 2 284.316 -1.059 20 0 CAADLO CO[C@H](C)CC(=O)NCC1C[NH+](CC(=O)NC(N)=O)C1 ZINC001366962689 887350266 /nfs/dbraw/zinc/35/02/66/887350266.db2.gz KRRAWEOFZYCEFK-MRVPVSSYSA-N 1 2 286.332 -1.346 20 0 CAADLO CCCNC(=O)C[NH+]1CC(CNC(=O)[C@@H]2COCCO2)C1 ZINC001366958728 887350359 /nfs/dbraw/zinc/35/03/59/887350359.db2.gz QISPIJFEXBYOCT-LBPRGKRZSA-N 1 2 299.371 -1.024 20 0 CAADLO CCNC(=O)C[NH+]1CC(CNC(=O)[C@@H]2COCCO2)C1 ZINC001366957032 887351032 /nfs/dbraw/zinc/35/10/32/887351032.db2.gz FAJPQCRIODYTJE-NSHDSACASA-N 1 2 285.344 -1.414 20 0 CAADLO COCC(=O)NCC1C[NH+](CC(=O)N2CCO[C@@H](C)C2)C1 ZINC001366956596 887351170 /nfs/dbraw/zinc/35/11/70/887351170.db2.gz KMSFGDYNJJQKFX-NSHDSACASA-N 1 2 299.371 -1.072 20 0 CAADLO CNC(=O)NC(=O)C[NH+]1CC(CNC(=O)CNC(C)=O)C1 ZINC001366953004 887351258 /nfs/dbraw/zinc/35/12/58/887351258.db2.gz JYRBWIBCGNZRTE-UHFFFAOYSA-N 1 2 299.331 -2.374 20 0 CAADLO CNC(=O)CCCC(=O)NCC1C[NH+](CC(N)=O)C1 ZINC001366962819 887351526 /nfs/dbraw/zinc/35/15/26/887351526.db2.gz SSNSQVMBQUEBIV-UHFFFAOYSA-N 1 2 270.333 -1.564 20 0 CAADLO O=C(C[C@@H]1CCNC1=O)NCC1C[NH+]([C@@H]2CCNC2=O)C1 ZINC001366971198 887351827 /nfs/dbraw/zinc/35/18/27/887351827.db2.gz DZEUJBVQOCWOIW-WDEREUQCSA-N 1 2 294.355 -1.551 20 0 CAADLO CCNC(=O)C[NH+]1CC(CNC(=O)Cc2nnc(C)[nH]2)C1 ZINC001366962594 887351938 /nfs/dbraw/zinc/35/19/38/887351938.db2.gz IPCPSLNRJAGOQX-UHFFFAOYSA-N 1 2 294.359 -1.160 20 0 CAADLO CN(C)C(=O)C[NH+]1CC(CNC(=O)CCn2ccnn2)C1 ZINC001366960513 887351984 /nfs/dbraw/zinc/35/19/84/887351984.db2.gz KYTKGCGEVVOMJZ-UHFFFAOYSA-N 1 2 294.359 -1.196 20 0 CAADLO C[C@H](CC(=O)NCC1C[NH+](CC(=O)N(C)C)C1)NC(N)=O ZINC001366963053 887352007 /nfs/dbraw/zinc/35/20/07/887352007.db2.gz MJQHCDLKCFHGBH-SECBINFHSA-N 1 2 299.375 -1.431 20 0 CAADLO C[C@H](C(N)=O)[NH+]1CC(CNC(=O)[C@H](C)NC(N)=O)C1 ZINC001366961801 887352596 /nfs/dbraw/zinc/35/25/96/887352596.db2.gz ODLVZQZUDLITGN-NKWVEPMBSA-N 1 2 271.321 -2.035 20 0 CAADLO CCCNC(=O)C[NH+]1CC(CNC(=O)[C@H]2COCCO2)C1 ZINC001366958727 887352815 /nfs/dbraw/zinc/35/28/15/887352815.db2.gz QISPIJFEXBYOCT-GFCCVEGCSA-N 1 2 299.371 -1.024 20 0 CAADLO COC[C@H](O)C[NH+]1CC(NC(=O)c2c[nH]c(C(N)=O)c2)C1 ZINC001366952517 887352885 /nfs/dbraw/zinc/35/28/85/887352885.db2.gz YVRQUMJMSKZQKK-SNVBAGLBSA-N 1 2 296.327 -1.465 20 0 CAADLO CCNC(=O)C[NH+]1CC(CNC(=O)CN2CCCC2=O)C1 ZINC001366955144 887352944 /nfs/dbraw/zinc/35/29/44/887352944.db2.gz KNFDSNPAEYMIIC-UHFFFAOYSA-N 1 2 296.371 -1.207 20 0 CAADLO C[C@H](C(N)=O)[NH+]1CC(CNC(=O)[C@H](C)n2cncn2)C1 ZINC001366961478 887353066 /nfs/dbraw/zinc/35/30/66/887353066.db2.gz IMYQBWWIXFMIHK-BDAKNGLRSA-N 1 2 280.332 -1.239 20 0 CAADLO COC[C@H](O)C[NH+]1CC(NC(=O)[C@H]2CCCC(=O)N2C)C1 ZINC001366954917 887353645 /nfs/dbraw/zinc/35/36/45/887353645.db2.gz NXNWNIYNPKTPFB-VXGBXAGGSA-N 1 2 299.371 -1.195 20 0 CAADLO COC[C@H](O)C[NH+]1CC(NC(=O)[C@@H]2CCCC(=O)N2C)C1 ZINC001366954913 887353802 /nfs/dbraw/zinc/35/38/02/887353802.db2.gz NXNWNIYNPKTPFB-NEPJUHHUSA-N 1 2 299.371 -1.195 20 0 CAADLO CO[C@@H]1COCC[C@@H]1CC(=O)NCC1C[NH+](CC(N)=O)C1 ZINC001366972882 887354383 /nfs/dbraw/zinc/35/43/83/887354383.db2.gz KOFJXXYOLUEQFB-VXGBXAGGSA-N 1 2 299.371 -1.039 20 0 CAADLO C[C@H](C(N)=O)[NH+]1CC(CNC(=O)Cn2ncn(C)c2=O)C1 ZINC001366974984 887354965 /nfs/dbraw/zinc/35/49/65/887354965.db2.gz QGRJSSFWFVRXJJ-MRVPVSSYSA-N 1 2 296.331 -2.496 20 0 CAADLO CNC(=O)C[NH+]1CC(CNC(=O)C[C@H]2CCNC2=O)C1 ZINC001366978759 887355912 /nfs/dbraw/zinc/35/59/12/887355912.db2.gz YECNXHFWDWXTDK-SNVBAGLBSA-N 1 2 282.344 -1.693 20 0 CAADLO CCO[C@H](C(=O)NCC1C[NH+](CC(N)=O)C1)[C@@H]1CCOC1 ZINC001366973104 887356197 /nfs/dbraw/zinc/35/61/97/887356197.db2.gz PMSAYQYLZCJILP-YPMHNXCESA-N 1 2 299.371 -1.039 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CN(C)C(C)=O ZINC001367003555 887356410 /nfs/dbraw/zinc/35/64/10/887356410.db2.gz QZAGBXWFZCQGHX-DLOVCJGASA-N 1 2 296.371 -1.116 20 0 CAADLO CNC(=O)[C@H](C)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CN(C)C(C)=O ZINC001367003555 887356423 /nfs/dbraw/zinc/35/64/23/887356423.db2.gz QZAGBXWFZCQGHX-DLOVCJGASA-N 1 2 296.371 -1.116 20 0 CAADLO C[C@@H](C(N)=O)[NH+]1CC(CNC(=O)CCCn2cncn2)C1 ZINC001366986603 887356838 /nfs/dbraw/zinc/35/68/38/887356838.db2.gz KKNRZQOPQWUWIY-JTQLQIEISA-N 1 2 294.359 -1.020 20 0 CAADLO CN(C)S(=O)(=O)CC(=O)NCC1C[NH+](CCF)C1 ZINC001366988659 887357384 /nfs/dbraw/zinc/35/73/84/887357384.db2.gz IYBZHZVNWTXZBQ-UHFFFAOYSA-N 1 2 281.353 -1.105 20 0 CAADLO C[C@@H](C(N)=O)[NH+]1CC(CNC(=O)Cn2ncn(C)c2=O)C1 ZINC001366974987 887357090 /nfs/dbraw/zinc/35/70/90/887357090.db2.gz QGRJSSFWFVRXJJ-QMMMGPOBSA-N 1 2 296.331 -2.496 20 0 CAADLO CNC(=O)C[NH+]1CC(CNC(=O)C[C@@H]2CCNC2=O)C1 ZINC001366978754 887357959 /nfs/dbraw/zinc/35/79/59/887357959.db2.gz YECNXHFWDWXTDK-JTQLQIEISA-N 1 2 282.344 -1.693 20 0 CAADLO C[C@H](C(N)=O)[NH+]1CC(CNC(=O)CCc2cn(C)nn2)C1 ZINC001366989740 887358449 /nfs/dbraw/zinc/35/84/49/887358449.db2.gz AKARNRZTHXKKKI-SECBINFHSA-N 1 2 294.359 -1.331 20 0 CAADLO CCO[C@@H](C(=O)NCC1C[NH+](CC(N)=O)C1)[C@@H]1CCOC1 ZINC001366973096 887358498 /nfs/dbraw/zinc/35/84/98/887358498.db2.gz PMSAYQYLZCJILP-DGCLKSJQSA-N 1 2 299.371 -1.039 20 0 CAADLO NC(=O)CCCC(=O)NCC1C[NH+]([C@H]2CCNC2=O)C1 ZINC001366994148 887358515 /nfs/dbraw/zinc/35/85/15/887358515.db2.gz YJDSBTGFDURIRR-JTQLQIEISA-N 1 2 282.344 -1.422 20 0 CAADLO CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@@H](COC)OC)C1 ZINC001367034073 887359263 /nfs/dbraw/zinc/35/92/63/887359263.db2.gz MBRFLMKMIGXNDI-GHMZBOCLSA-N 1 2 287.360 -1.026 20 0 CAADLO CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@@H](COC)OC)C1 ZINC001367034073 887359278 /nfs/dbraw/zinc/35/92/78/887359278.db2.gz MBRFLMKMIGXNDI-GHMZBOCLSA-N 1 2 287.360 -1.026 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)CCn2ccccc2=O)C1 ZINC001367029828 887359768 /nfs/dbraw/zinc/35/97/68/887359768.db2.gz GWUPPFWHFXDPBH-LLVKDONJSA-N 1 2 292.339 -1.086 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)CCn2ccccc2=O)C1 ZINC001367029828 887359779 /nfs/dbraw/zinc/35/97/79/887359779.db2.gz GWUPPFWHFXDPBH-LLVKDONJSA-N 1 2 292.339 -1.086 20 0 CAADLO NC(=O)NC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cc2ncc[nH]2)C1 ZINC001367038009 887359826 /nfs/dbraw/zinc/35/98/26/887359826.db2.gz QBTRWVIAWDXUNI-MRVPVSSYSA-N 1 2 294.315 -1.662 20 0 CAADLO NC(=O)NC(=O)C[N@H+]1CC[C@@H](NC(=O)Cc2ncc[nH]2)C1 ZINC001367038009 887359834 /nfs/dbraw/zinc/35/98/34/887359834.db2.gz QBTRWVIAWDXUNI-MRVPVSSYSA-N 1 2 294.315 -1.662 20 0 CAADLO C[C@H](NC(N)=O)C(=O)N[C@@H]1CC[N@@H+]([C@@H](C)C(N)=O)C1 ZINC001367026567 887360488 /nfs/dbraw/zinc/36/04/88/887360488.db2.gz LWVUVYOUXWWMBZ-BIIVOSGPSA-N 1 2 271.321 -1.893 20 0 CAADLO C[C@H](NC(N)=O)C(=O)N[C@@H]1CC[N@H+]([C@@H](C)C(N)=O)C1 ZINC001367026567 887360500 /nfs/dbraw/zinc/36/05/00/887360500.db2.gz LWVUVYOUXWWMBZ-BIIVOSGPSA-N 1 2 271.321 -1.893 20 0 CAADLO CO[C@@H](C)CC(=O)N[C@@H]1CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001367025740 887361881 /nfs/dbraw/zinc/36/18/81/887361881.db2.gz UBGZGAOTTNCVFB-DTWKUNHWSA-N 1 2 286.332 -1.203 20 0 CAADLO CO[C@@H](C)CC(=O)N[C@@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001367025740 887361886 /nfs/dbraw/zinc/36/18/86/887361886.db2.gz UBGZGAOTTNCVFB-DTWKUNHWSA-N 1 2 286.332 -1.203 20 0 CAADLO NC(=O)NC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCCO2)C1 ZINC001367028316 887361947 /nfs/dbraw/zinc/36/19/47/887361947.db2.gz NSVQMXAAWQEESL-NXEZZACHSA-N 1 2 298.343 -1.059 20 0 CAADLO NC(=O)NC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CCCCO2)C1 ZINC001367028316 887361953 /nfs/dbraw/zinc/36/19/53/887361953.db2.gz NSVQMXAAWQEESL-NXEZZACHSA-N 1 2 298.343 -1.059 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)CCc2cn[nH]n2)C1 ZINC001367032180 887362210 /nfs/dbraw/zinc/36/22/10/887362210.db2.gz HPXBKXZHWOFDTI-PSASIEDQSA-N 1 2 280.332 -1.198 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)CCc2cn[nH]n2)C1 ZINC001367032180 887362219 /nfs/dbraw/zinc/36/22/19/887362219.db2.gz HPXBKXZHWOFDTI-PSASIEDQSA-N 1 2 280.332 -1.198 20 0 CAADLO CO[C@@H](C(=O)N[C@@H]1CC[N@H+](CC(N)=O)C1)c1cnn(C)c1 ZINC001367030408 887362361 /nfs/dbraw/zinc/36/23/61/887362361.db2.gz DOVGFRUPLBEDFO-ZYHUDNBSSA-N 1 2 295.343 -1.217 20 0 CAADLO CO[C@@H](C(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C1)c1cnn(C)c1 ZINC001367030408 887362373 /nfs/dbraw/zinc/36/23/73/887362373.db2.gz DOVGFRUPLBEDFO-ZYHUDNBSSA-N 1 2 295.343 -1.217 20 0 CAADLO CN(CC(=O)N(C)[C@H]1CC[N@H+](CC(N)=O)C1)C(=O)C1CC1 ZINC001367045023 887362464 /nfs/dbraw/zinc/36/24/64/887362464.db2.gz LESWECIJGNXWNV-NSHDSACASA-N 1 2 296.371 -1.127 20 0 CAADLO CN(CC(=O)N(C)[C@H]1CC[N@@H+](CC(N)=O)C1)C(=O)C1CC1 ZINC001367045023 887362480 /nfs/dbraw/zinc/36/24/80/887362480.db2.gz LESWECIJGNXWNV-NSHDSACASA-N 1 2 296.371 -1.127 20 0 CAADLO CNC(=O)NC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cn[nH]c2)C1 ZINC001367021982 887362850 /nfs/dbraw/zinc/36/28/50/887362850.db2.gz DRNGUDAERXNFAA-SECBINFHSA-N 1 2 294.315 -1.331 20 0 CAADLO CNC(=O)NC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cn[nH]c2)C1 ZINC001367021982 887362866 /nfs/dbraw/zinc/36/28/66/887362866.db2.gz DRNGUDAERXNFAA-SECBINFHSA-N 1 2 294.315 -1.331 20 0 CAADLO NC(=O)NC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001367040319 887363508 /nfs/dbraw/zinc/36/35/08/887363508.db2.gz UMRNIEAWIKJTPZ-SFYZADRCSA-N 1 2 297.315 -2.350 20 0 CAADLO NC(=O)NC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001367040319 887363520 /nfs/dbraw/zinc/36/35/20/887363520.db2.gz UMRNIEAWIKJTPZ-SFYZADRCSA-N 1 2 297.315 -2.350 20 0 CAADLO O=C(CCc1nnc[nH]1)N[C@@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001367029282 887364076 /nfs/dbraw/zinc/36/40/76/887364076.db2.gz YOKGLOFHECXNRN-NXEZZACHSA-N 1 2 292.343 -1.184 20 0 CAADLO O=C(CCc1nnc[nH]1)N[C@@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001367029282 887364091 /nfs/dbraw/zinc/36/40/91/887364091.db2.gz YOKGLOFHECXNRN-NXEZZACHSA-N 1 2 292.343 -1.184 20 0 CAADLO CN(C(=O)CNC(=O)C1CC1)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001367051527 887364704 /nfs/dbraw/zinc/36/47/04/887364704.db2.gz WMLUPKHXAPBDFB-JTQLQIEISA-N 1 2 282.344 -1.469 20 0 CAADLO CN(C(=O)CNC(=O)C1CC1)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001367051527 887364708 /nfs/dbraw/zinc/36/47/08/887364708.db2.gz WMLUPKHXAPBDFB-JTQLQIEISA-N 1 2 282.344 -1.469 20 0 CAADLO CN(C(=O)CNC(=O)C1CC1)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001367051532 887364898 /nfs/dbraw/zinc/36/48/98/887364898.db2.gz WMLUPKHXAPBDFB-SNVBAGLBSA-N 1 2 282.344 -1.469 20 0 CAADLO CN(C(=O)CNC(=O)C1CC1)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001367051532 887364903 /nfs/dbraw/zinc/36/49/03/887364903.db2.gz WMLUPKHXAPBDFB-SNVBAGLBSA-N 1 2 282.344 -1.469 20 0 CAADLO CN(C(=O)c1cn[nH]n1)[C@H]1CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001367054471 887368430 /nfs/dbraw/zinc/36/84/30/887368430.db2.gz WJWJQGXIEWMIOS-ZETCQYMHSA-N 1 2 295.303 -1.854 20 0 CAADLO CN(C(=O)c1cn[nH]n1)[C@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001367054471 887368443 /nfs/dbraw/zinc/36/84/43/887368443.db2.gz WJWJQGXIEWMIOS-ZETCQYMHSA-N 1 2 295.303 -1.854 20 0 CAADLO CC(=O)NCC(=O)NC[C@@H](C)C[NH2+]Cc1nnnn1C ZINC001367231582 887369336 /nfs/dbraw/zinc/36/93/36/887369336.db2.gz RYRFAUDIFUWJJX-QMMMGPOBSA-N 1 2 283.336 -1.812 20 0 CAADLO CC[C@H](CNC(=O)c1cccnn1)[NH2+]CC(=O)NC(N)=O ZINC001367142769 887369077 /nfs/dbraw/zinc/36/90/77/887369077.db2.gz RLCUBSSUZYCATH-MRVPVSSYSA-N 1 2 294.315 -1.231 20 0 CAADLO CC[C@@H](CNC(=O)Cn1cncn1)[NH2+][C@@H](C)C(=O)NC ZINC001367142566 887369105 /nfs/dbraw/zinc/36/91/05/887369105.db2.gz VSXOIWLWSHBWJL-UWVGGRQHSA-N 1 2 282.348 -1.103 20 0 CAADLO CN(C)C(=O)C[NH2+]C[C@H]1CCCN1C(=O)Cn1cnnn1 ZINC001367217523 887369160 /nfs/dbraw/zinc/36/91/60/887369160.db2.gz RPHIKGRYCOZFBJ-SNVBAGLBSA-N 1 2 295.347 -1.658 20 0 CAADLO C[C@](C[NH2+]CC(N)=O)(NC(=O)[C@@H]1CNC(=O)N1)C1CC1 ZINC001367191417 887369245 /nfs/dbraw/zinc/36/92/45/887369245.db2.gz OHLYRNZKPVDZHK-QPUJVOFHSA-N 1 2 283.332 -1.972 20 0 CAADLO C[C@H](CNC(=O)c1nccnc1N)C[NH2+][C@@H]1CCNC1=O ZINC001367235294 887369254 /nfs/dbraw/zinc/36/92/54/887369254.db2.gz AJEKQVJUAXDZAP-DTWKUNHWSA-N 1 2 292.343 -1.097 20 0 CAADLO CC(=O)NCC(=O)NC[C@@H](C)C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001367230717 887369344 /nfs/dbraw/zinc/36/93/44/887369344.db2.gz OTVRGVCMXRKHGK-QMMMGPOBSA-N 1 2 298.347 -1.914 20 0 CAADLO CNC(=O)C[NH2+]C[C@H](C)CNC(=O)[C@H]1COCCO1 ZINC001367236798 887369375 /nfs/dbraw/zinc/36/93/75/887369375.db2.gz HKNXJUCAIPXWMK-VHSXEESVSA-N 1 2 273.333 -1.510 20 0 CAADLO CC[C@H](CNC(=O)CCn1cnnn1)[NH2+]C[C@@H](C)O ZINC001367142059 887369380 /nfs/dbraw/zinc/36/93/80/887369380.db2.gz NYXSQZRSRUYKHF-NXEZZACHSA-N 1 2 270.337 -1.072 20 0 CAADLO COC[C@@H](O)C[NH2+]C[C@H]1CCCN1C(=O)Cc1nnc[nH]1 ZINC001367224356 887369413 /nfs/dbraw/zinc/36/94/13/887369413.db2.gz FBHSDOVDYBCMJF-MNOVXSKESA-N 1 2 297.359 -1.065 20 0 CAADLO COC[C@@H](O)C[NH2+]C[C@H]1CCCN1C(=O)Cc1ncn[nH]1 ZINC001367224356 887369424 /nfs/dbraw/zinc/36/94/24/887369424.db2.gz FBHSDOVDYBCMJF-MNOVXSKESA-N 1 2 297.359 -1.065 20 0 CAADLO CC(=O)N1CC(C(=O)N2CCC[C@@H]2C[NH2+][C@H](C)C(N)=O)C1 ZINC001367223999 887369444 /nfs/dbraw/zinc/36/94/44/887369444.db2.gz UXPNFSHGWBLIPR-BXKDBHETSA-N 1 2 296.371 -1.081 20 0 CAADLO CCNC(=O)C[NH2+][C@@H](CC)CNC(=O)Cc1nc[nH]n1 ZINC001367140609 887369482 /nfs/dbraw/zinc/36/94/82/887369482.db2.gz POSTYTIHYUZOOC-VIFPVBQESA-N 1 2 282.348 -1.032 20 0 CAADLO CCNC(=O)C[NH2+][C@@H](CC)CNC(=O)Cc1nnc[nH]1 ZINC001367140609 887369490 /nfs/dbraw/zinc/36/94/90/887369490.db2.gz POSTYTIHYUZOOC-VIFPVBQESA-N 1 2 282.348 -1.032 20 0 CAADLO NC(=O)NC(=O)C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCCO1 ZINC001367213933 887369536 /nfs/dbraw/zinc/36/95/36/887369536.db2.gz CYSQTJBJCCWLOD-ZJUUUORDSA-N 1 2 298.343 -1.059 20 0 CAADLO CCNC(=O)C[NH2+]C[C@@H](C)CNC(=O)Cn1ncnn1 ZINC001367237035 887369559 /nfs/dbraw/zinc/36/95/59/887369559.db2.gz DRCQBWBDYJJQMQ-SECBINFHSA-N 1 2 283.336 -1.849 20 0 CAADLO CCNC(=O)C[NH2+]C[C@H]1CCCN1C(=O)[C@H](C)NC(N)=O ZINC001367221727 887369578 /nfs/dbraw/zinc/36/95/78/887369578.db2.gz IWWPBSUHOPQOBL-VHSXEESVSA-N 1 2 299.375 -1.240 20 0 CAADLO C[C@@H](CNC(=O)c1nccnc1N)C[NH2+][C@@H]1CCNC1=O ZINC001367235306 887369600 /nfs/dbraw/zinc/36/96/00/887369600.db2.gz AJEKQVJUAXDZAP-RKDXNWHRSA-N 1 2 292.343 -1.097 20 0 CAADLO NC(=O)C[NH+]1CCC(CCNC(=O)Cn2ncnn2)CC1 ZINC001367208664 887369610 /nfs/dbraw/zinc/36/96/10/887369610.db2.gz SZVFUZHPFCPMPT-UHFFFAOYSA-N 1 2 295.347 -1.623 20 0 CAADLO CNC(=O)C[NH2+]C[C@@](C)(NC(=O)Cn1cnnn1)C1CC1 ZINC001367167183 887369691 /nfs/dbraw/zinc/36/96/91/887369691.db2.gz SQFJYAGFYZDOHF-GFCCVEGCSA-N 1 2 295.347 -1.706 20 0 CAADLO CC[C@H](CNC(=O)[C@@]1(C)CCC(=O)NC1)[NH2+]CC(N)=O ZINC001367154628 887369741 /nfs/dbraw/zinc/36/97/41/887369741.db2.gz CPYQAVSJBCXIMH-RNCFNFMXSA-N 1 2 284.360 -1.128 20 0 CAADLO CNC(=O)C[NH2+]C[C@H](C)CNC(=O)[C@@H]1COCCO1 ZINC001367236793 887369818 /nfs/dbraw/zinc/36/98/18/887369818.db2.gz HKNXJUCAIPXWMK-UWVGGRQHSA-N 1 2 273.333 -1.510 20 0 CAADLO C[C@H]([NH2+]C[C@@](C)(NC(=O)Cn1ncnn1)C1CC1)C(N)=O ZINC001367186814 887370032 /nfs/dbraw/zinc/37/00/32/887370032.db2.gz OPCMIUIGFCPZIX-QPUJVOFHSA-N 1 2 295.347 -1.579 20 0 CAADLO CC[C@H](CNC(=O)Cn1cncn1)[NH2+][C@@H]1CCNC1=O ZINC001367140315 887370311 /nfs/dbraw/zinc/37/03/11/887370311.db2.gz QLOUWFZHVXJURR-NXEZZACHSA-N 1 2 280.332 -1.349 20 0 CAADLO CC[C@@H](CNC(=O)c1cn(CC(N)=O)nn1)[NH2+]C[C@@H](C)O ZINC001367151282 887370348 /nfs/dbraw/zinc/37/03/48/887370348.db2.gz SFZQAXGGUJZXRL-BDAKNGLRSA-N 1 2 298.347 -1.758 20 0 CAADLO CC[C@@H](CNC(=O)CCn1cnnn1)[NH2+]C[C@H](C)O ZINC001367142060 887370412 /nfs/dbraw/zinc/37/04/12/887370412.db2.gz NYXSQZRSRUYKHF-UWVGGRQHSA-N 1 2 270.337 -1.072 20 0 CAADLO CO[C@@H](C)CC(=O)NC[C@H](C)C[NH2+]CC(=O)NC(N)=O ZINC001367233265 887370548 /nfs/dbraw/zinc/37/05/48/887370548.db2.gz JUJUDIWVMPHEAT-BDAKNGLRSA-N 1 2 288.348 -1.052 20 0 CAADLO CNC(=O)C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1COCCO1 ZINC001367217987 887370651 /nfs/dbraw/zinc/37/06/51/887370651.db2.gz UYBFMUCGHBUNCU-GHMZBOCLSA-N 1 2 285.344 -1.272 20 0 CAADLO CC[C@H](CNC(=O)c1cn(CC(N)=O)nn1)[NH2+]C[C@H](C)O ZINC001367151283 887370677 /nfs/dbraw/zinc/37/06/77/887370677.db2.gz SFZQAXGGUJZXRL-DTWKUNHWSA-N 1 2 298.347 -1.758 20 0 CAADLO C[C@H](O)C[NH2+]C[C@H]1CCCN1C(=O)C1CS(=O)(=O)C1 ZINC001367215507 887370869 /nfs/dbraw/zinc/37/08/69/887370869.db2.gz OLHNXBLJISJSAI-GXSJLCMTSA-N 1 2 290.385 -1.008 20 0 CAADLO CC(=O)NCC(=O)NC[C@H](C)C[NH2+]CC(=O)NC(C)C ZINC001367232191 887370883 /nfs/dbraw/zinc/37/08/83/887370883.db2.gz VBGKKNWLHIAMMI-SNVBAGLBSA-N 1 2 286.376 -1.011 20 0 CAADLO NC(=O)C[NH2+]C[C@H]1CCCN1C(=O)CCn1ccnn1 ZINC001367224005 887370959 /nfs/dbraw/zinc/37/09/59/887370959.db2.gz UYJRYLFZPGTWQV-SNVBAGLBSA-N 1 2 280.332 -1.266 20 0 CAADLO CC[C@@H](CNC(=O)[C@@]1(C)CCC(=O)NC1)[NH2+]CC(N)=O ZINC001367154633 887370972 /nfs/dbraw/zinc/37/09/72/887370972.db2.gz CPYQAVSJBCXIMH-ZANVPECISA-N 1 2 284.360 -1.128 20 0 CAADLO CO[C@@H](C)CC(=O)NC[C@@H](C)C[NH2+]CC(=O)NC(N)=O ZINC001367233268 887370984 /nfs/dbraw/zinc/37/09/84/887370984.db2.gz JUJUDIWVMPHEAT-IUCAKERBSA-N 1 2 288.348 -1.052 20 0 CAADLO CC[C@H](CNC(=O)[C@@H]1CCCCN1C(N)=O)[NH2+]CC(N)=O ZINC001367131539 887370996 /nfs/dbraw/zinc/37/09/96/887370996.db2.gz BDIUKWVBURJASI-ZJUUUORDSA-N 1 2 299.375 -1.111 20 0 CAADLO CNC(=O)C[NH2+]C[C@H]1CCCN1C(=O)c1cnn(C)c1N ZINC001367221629 887371066 /nfs/dbraw/zinc/37/10/66/887371066.db2.gz HQHQFUCBJWXHHY-SECBINFHSA-N 1 2 294.359 -1.058 20 0 CAADLO CC[C@@H](CNC(=O)[C@@H]1CCC(=O)N1)[NH2+]C[C@@H](O)COC ZINC001367133062 887371107 /nfs/dbraw/zinc/37/11/07/887371107.db2.gz NGWYSBGUQZEVTD-AXFHLTTASA-N 1 2 287.360 -1.243 20 0 CAADLO C[C@H](CNC(=O)c1nnc[nH]1)C[NH2+]Cc1nnn(C)n1 ZINC001367280123 887373144 /nfs/dbraw/zinc/37/31/44/887373144.db2.gz SAFYKQKOAXZNCW-ZETCQYMHSA-N 1 2 279.308 -1.516 20 0 CAADLO COCCC(=O)NC[C@H]1C[N@H+](C[C@H](O)COC)CCO1 ZINC001367283038 887373717 /nfs/dbraw/zinc/37/37/17/887373717.db2.gz AXWOBCWVXYZEAB-RYUDHWBXSA-N 1 2 290.360 -1.153 20 0 CAADLO COCCC(=O)NC[C@H]1C[N@@H+](C[C@H](O)COC)CCO1 ZINC001367283038 887373728 /nfs/dbraw/zinc/37/37/28/887373728.db2.gz AXWOBCWVXYZEAB-RYUDHWBXSA-N 1 2 290.360 -1.153 20 0 CAADLO NC(=O)NCCC(=O)NC[C@H]1C[N@@H+](CCO)CCO1 ZINC001367312224 887375005 /nfs/dbraw/zinc/37/50/05/887375005.db2.gz MMYSRGKGZGEYCP-VIFPVBQESA-N 1 2 274.321 -2.146 20 0 CAADLO NC(=O)NCCC(=O)NC[C@H]1C[N@H+](CCO)CCO1 ZINC001367312224 887374986 /nfs/dbraw/zinc/37/49/86/887374986.db2.gz MMYSRGKGZGEYCP-VIFPVBQESA-N 1 2 274.321 -2.146 20 0 CAADLO COC[C@H](O)C[N@@H+]1CCO[C@H](CNC(=O)[C@H](C)OC)C1 ZINC001367302031 887375181 /nfs/dbraw/zinc/37/51/81/887375181.db2.gz LUVMPUULEGIQGS-QJPTWQEYSA-N 1 2 290.360 -1.154 20 0 CAADLO COC[C@H](O)C[N@H+]1CCO[C@H](CNC(=O)[C@H](C)OC)C1 ZINC001367302031 887375198 /nfs/dbraw/zinc/37/51/98/887375198.db2.gz LUVMPUULEGIQGS-QJPTWQEYSA-N 1 2 290.360 -1.154 20 0 CAADLO COC[C@H](O)C[N@@H+]1CCO[C@@H](CNC(=O)[C@H](C)OC)C1 ZINC001367302036 887375937 /nfs/dbraw/zinc/37/59/37/887375937.db2.gz LUVMPUULEGIQGS-TUAOUCFPSA-N 1 2 290.360 -1.154 20 0 CAADLO COC[C@H](O)C[N@H+]1CCO[C@@H](CNC(=O)[C@H](C)OC)C1 ZINC001367302036 887375949 /nfs/dbraw/zinc/37/59/49/887375949.db2.gz LUVMPUULEGIQGS-TUAOUCFPSA-N 1 2 290.360 -1.154 20 0 CAADLO C[C@@H](O)C[N@@H+]1CCO[C@@H](CNC(=O)Cc2nc[nH]n2)C1 ZINC001367322400 887376564 /nfs/dbraw/zinc/37/65/64/887376564.db2.gz ZNNSVCPBHNIASI-ZJUUUORDSA-N 1 2 283.332 -1.455 20 0 CAADLO C[C@@H](O)C[N@H+]1CCO[C@@H](CNC(=O)Cc2nc[nH]n2)C1 ZINC001367322400 887376575 /nfs/dbraw/zinc/37/65/75/887376575.db2.gz ZNNSVCPBHNIASI-ZJUUUORDSA-N 1 2 283.332 -1.455 20 0 CAADLO CN1CC[C@@H](CC(=O)NC[C@H]2C[N@H+](CCO)CCO2)C1=O ZINC001367306543 887378288 /nfs/dbraw/zinc/37/82/88/887378288.db2.gz YLENFUMPNJCLOR-RYUDHWBXSA-N 1 2 299.371 -1.336 20 0 CAADLO CN1CC[C@@H](CC(=O)NC[C@H]2C[N@@H+](CCO)CCO2)C1=O ZINC001367306543 887378303 /nfs/dbraw/zinc/37/83/03/887378303.db2.gz YLENFUMPNJCLOR-RYUDHWBXSA-N 1 2 299.371 -1.336 20 0 CAADLO COC[C@H](O)C[N@@H+]1CCO[C@@H](CNC(=O)[C@@H](C)OC)C1 ZINC001367302041 887378566 /nfs/dbraw/zinc/37/85/66/887378566.db2.gz LUVMPUULEGIQGS-UTUOFQBUSA-N 1 2 290.360 -1.154 20 0 CAADLO COC[C@H](O)C[N@H+]1CCO[C@@H](CNC(=O)[C@@H](C)OC)C1 ZINC001367302041 887378570 /nfs/dbraw/zinc/37/85/70/887378570.db2.gz LUVMPUULEGIQGS-UTUOFQBUSA-N 1 2 290.360 -1.154 20 0 CAADLO COCC[N@@H+]1CCO[C@H](CNC(=O)CN(C)C(C)=O)C1 ZINC001367306626 887378771 /nfs/dbraw/zinc/37/87/71/887378771.db2.gz ULJFHBYBPPPJOQ-GFCCVEGCSA-N 1 2 287.360 -1.072 20 0 CAADLO COCC[N@H+]1CCO[C@H](CNC(=O)CN(C)C(C)=O)C1 ZINC001367306626 887378778 /nfs/dbraw/zinc/37/87/78/887378778.db2.gz ULJFHBYBPPPJOQ-GFCCVEGCSA-N 1 2 287.360 -1.072 20 0 CAADLO CCNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)Cc1ncn[nH]1 ZINC001367390354 887380658 /nfs/dbraw/zinc/38/06/58/887380658.db2.gz JUANXGKHFQCDEH-VIFPVBQESA-N 1 2 282.348 -1.080 20 0 CAADLO CCNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)Cc1ncn[nH]1 ZINC001367390350 887381932 /nfs/dbraw/zinc/38/19/32/887381932.db2.gz JUANXGKHFQCDEH-SECBINFHSA-N 1 2 282.348 -1.080 20 0 CAADLO CNC(=O)C[N@H+](C)CCN(C)C(=O)[C@@H]1CCC(=O)N1C ZINC001367526518 887384117 /nfs/dbraw/zinc/38/41/17/887384117.db2.gz MCHSWAMHGMYFIW-JTQLQIEISA-N 1 2 284.360 -1.257 20 0 CAADLO CNC(=O)C[N@@H+](C)CCN(C)C(=O)[C@@H]1CCC(=O)N1C ZINC001367526518 887384129 /nfs/dbraw/zinc/38/41/29/887384129.db2.gz MCHSWAMHGMYFIW-JTQLQIEISA-N 1 2 284.360 -1.257 20 0 CAADLO CN(CC[N@H+](C)CC(=O)NC1CC1)C(=O)Cn1ncnn1 ZINC001367517279 887384775 /nfs/dbraw/zinc/38/47/75/887384775.db2.gz OISKGOOWXVYMAP-UHFFFAOYSA-N 1 2 295.347 -1.658 20 0 CAADLO CN(CC[N@@H+](C)CC(=O)NC1CC1)C(=O)Cn1ncnn1 ZINC001367517279 887384785 /nfs/dbraw/zinc/38/47/85/887384785.db2.gz OISKGOOWXVYMAP-UHFFFAOYSA-N 1 2 295.347 -1.658 20 0 CAADLO CNC(=O)C[N@H+](C)CCN(C)C(=O)C[C@@H]1CCC(=O)N1 ZINC001367539677 887385202 /nfs/dbraw/zinc/38/52/02/887385202.db2.gz BBBDOULCOGHQRG-JTQLQIEISA-N 1 2 284.360 -1.209 20 0 CAADLO CNC(=O)C[N@@H+](C)CCN(C)C(=O)C[C@@H]1CCC(=O)N1 ZINC001367539677 887385213 /nfs/dbraw/zinc/38/52/13/887385213.db2.gz BBBDOULCOGHQRG-JTQLQIEISA-N 1 2 284.360 -1.209 20 0 CAADLO CNC(=O)C[N@H+](C)CCN(C)C(=O)CN1CCCC1=O ZINC001367525777 887385772 /nfs/dbraw/zinc/38/57/72/887385772.db2.gz RPUBMGCREFMGKD-UHFFFAOYSA-N 1 2 284.360 -1.255 20 0 CAADLO CNC(=O)C[N@H+](C)CCN(C)C(=O)c1nccnc1N ZINC001367506084 887386448 /nfs/dbraw/zinc/38/64/48/887386448.db2.gz HFEVXFJQQLNBRQ-UHFFFAOYSA-N 1 2 280.332 -1.191 20 0 CAADLO CNC(=O)C[N@@H+](C)CCN(C)C(=O)c1nccnc1N ZINC001367506084 887386462 /nfs/dbraw/zinc/38/64/62/887386462.db2.gz HFEVXFJQQLNBRQ-UHFFFAOYSA-N 1 2 280.332 -1.191 20 0 CAADLO CN(CC[N@H+](C)CC(N)=O)C(=O)c1ccc(=O)n(C)n1 ZINC001367553075 887388448 /nfs/dbraw/zinc/38/84/48/887388448.db2.gz OVXWNXACYRFWCH-UHFFFAOYSA-N 1 2 281.316 -1.731 20 0 CAADLO CN(CC[N@@H+](C)CC(N)=O)C(=O)c1ccc(=O)n(C)n1 ZINC001367553075 887388455 /nfs/dbraw/zinc/38/84/55/887388455.db2.gz OVXWNXACYRFWCH-UHFFFAOYSA-N 1 2 281.316 -1.731 20 0 CAADLO CNC(=O)Cc1noc(C[NH2+]C[C@@H](O)CNC(C)=O)n1 ZINC001367562743 887389367 /nfs/dbraw/zinc/38/93/67/887389367.db2.gz NXMSINUYASBWIJ-MRVPVSSYSA-N 1 2 285.304 -2.055 20 0 CAADLO Cc1nnc(C[NH2+]C[C@H](O)CNC(=O)c2cn[nH]c2)o1 ZINC001367567310 887391366 /nfs/dbraw/zinc/39/13/66/887391366.db2.gz MKNFRXMNOIYKPY-VIFPVBQESA-N 1 2 280.288 -1.018 20 0 CAADLO CNC(=O)Cc1noc(C[NH2+]C[C@H](O)CNC(C)=O)n1 ZINC001367562778 887391537 /nfs/dbraw/zinc/39/15/37/887391537.db2.gz NXMSINUYASBWIJ-QMMMGPOBSA-N 1 2 285.304 -2.055 20 0 CAADLO O=C(NC[C@@H](O)C[NH2+]Cc1csnn1)c1cn[nH]n1 ZINC001367608014 887409483 /nfs/dbraw/zinc/40/94/83/887409483.db2.gz NSJFNYYYNDCXDE-ZETCQYMHSA-N 1 2 283.317 -1.463 20 0 CAADLO O=C(NC[C@@H](O)C[NH2+]Cc1csnn1)c1cnon1 ZINC001367613332 887410091 /nfs/dbraw/zinc/41/00/91/887410091.db2.gz LJEWUCBWHHBPIM-ZETCQYMHSA-N 1 2 284.301 -1.198 20 0 CAADLO Cc1nnc(C[NH2+]C[C@@H](O)CNC(=O)c2ccn(C)n2)o1 ZINC001367623388 887411830 /nfs/dbraw/zinc/41/18/30/887411830.db2.gz KPIGFEPPXXURST-SECBINFHSA-N 1 2 294.315 -1.008 20 0 CAADLO Cc1ncc(C[NH2+]C[C@@H](O)CNC(=O)Cc2nnc[nH]2)o1 ZINC001367627318 887417149 /nfs/dbraw/zinc/41/71/49/887417149.db2.gz VCRIOKZDNLOMJA-SECBINFHSA-N 1 2 294.315 -1.089 20 0 CAADLO CCc1nnc(C[NH2+]C[C@@H](C)NC(=O)Cn2cnnn2)o1 ZINC001367651317 887418743 /nfs/dbraw/zinc/41/87/43/887418743.db2.gz FUCAKARHXPALOO-MRVPVSSYSA-N 1 2 294.319 -1.087 20 0 CAADLO C[C@@H]([NH2+]C[C@@H](O)CNC(=O)c1nnc[nH]1)c1nncn1C ZINC001367662488 887419507 /nfs/dbraw/zinc/41/95/07/887419507.db2.gz MQZRAYJRUZGTAL-HTQZYQBOSA-N 1 2 294.319 -1.625 20 0 CAADLO C[C@@H]([NH2+]C[C@@H](O)CNC(=O)c1ncn[nH]1)c1nncn1C ZINC001367662488 887419515 /nfs/dbraw/zinc/41/95/15/887419515.db2.gz MQZRAYJRUZGTAL-HTQZYQBOSA-N 1 2 294.319 -1.625 20 0 CAADLO C[C@@H]([NH2+]C[C@@H](O)CNC(=O)c1nc[nH]n1)c1nncn1C ZINC001367662488 887419522 /nfs/dbraw/zinc/41/95/22/887419522.db2.gz MQZRAYJRUZGTAL-HTQZYQBOSA-N 1 2 294.319 -1.625 20 0 CAADLO C[C@H]([NH2+]C[C@H](O)CNC(=O)c1nnc[nH]1)c1nncn1C ZINC001367662518 887420552 /nfs/dbraw/zinc/42/05/52/887420552.db2.gz MQZRAYJRUZGTAL-YUMQZZPRSA-N 1 2 294.319 -1.625 20 0 CAADLO C[C@H]([NH2+]C[C@H](O)CNC(=O)c1ncn[nH]1)c1nncn1C ZINC001367662518 887420561 /nfs/dbraw/zinc/42/05/61/887420561.db2.gz MQZRAYJRUZGTAL-YUMQZZPRSA-N 1 2 294.319 -1.625 20 0 CAADLO C[C@H]([NH2+]C[C@H](O)CNC(=O)c1nc[nH]n1)c1nncn1C ZINC001367662518 887420570 /nfs/dbraw/zinc/42/05/70/887420570.db2.gz MQZRAYJRUZGTAL-YUMQZZPRSA-N 1 2 294.319 -1.625 20 0 CAADLO CCc1nnc(C[NH2+]C[C@H](C)NC(=O)Cn2ncnn2)o1 ZINC001367733956 887427927 /nfs/dbraw/zinc/42/79/27/887427927.db2.gz HCRFZZXWDKVEFQ-QMMMGPOBSA-N 1 2 294.319 -1.087 20 0 CAADLO C[C@@H](C[NH2+]Cc1cnsn1)NC(=O)[C@H]1CNC(=O)N1 ZINC001367752108 887430267 /nfs/dbraw/zinc/43/02/67/887430267.db2.gz BVLVJROSFKIHFE-POYBYMJQSA-N 1 2 284.345 -1.186 20 0 CAADLO Cc1noc(C[NH2+]C[C@H](C)NC(=O)[C@@H]2CNC(=O)N2)n1 ZINC001367754097 887432191 /nfs/dbraw/zinc/43/21/91/887432191.db2.gz NPIXZPUALLWWHR-XPUUQOCRSA-N 1 2 282.304 -1.346 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+]1CC[C@H]1CNC(=O)Cn1cnnn1 ZINC001367935333 887440225 /nfs/dbraw/zinc/44/02/25/887440225.db2.gz VBPXARQXKBKAKB-BDAKNGLRSA-N 1 2 281.320 -2.002 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+]1CC[C@H]1CNC(=O)Cn1cnnn1 ZINC001367935333 887440234 /nfs/dbraw/zinc/44/02/34/887440234.db2.gz VBPXARQXKBKAKB-BDAKNGLRSA-N 1 2 281.320 -2.002 20 0 CAADLO COC(=O)NCC(=O)NC[C@@H]1CC[N@@H+]1[C@H]1CCNC1=O ZINC001367934002 887440767 /nfs/dbraw/zinc/44/07/67/887440767.db2.gz DVZMBHRPTBQEOD-IUCAKERBSA-N 1 2 284.316 -1.579 20 0 CAADLO COC(=O)NCC(=O)NC[C@@H]1CC[N@H+]1[C@H]1CCNC1=O ZINC001367934002 887440773 /nfs/dbraw/zinc/44/07/73/887440773.db2.gz DVZMBHRPTBQEOD-IUCAKERBSA-N 1 2 284.316 -1.579 20 0 CAADLO CNC(=O)CCCC(=O)NC[C@H]1CC[N@@H+]1[C@@H]1CCNC1=O ZINC001367933930 887440985 /nfs/dbraw/zinc/44/09/85/887440985.db2.gz BLCXDRHITVRLRF-GHMZBOCLSA-N 1 2 296.371 -1.018 20 0 CAADLO CNC(=O)CCCC(=O)NC[C@H]1CC[N@H+]1[C@@H]1CCNC1=O ZINC001367933930 887440996 /nfs/dbraw/zinc/44/09/96/887440996.db2.gz BLCXDRHITVRLRF-GHMZBOCLSA-N 1 2 296.371 -1.018 20 0 CAADLO Cn1cc(C[N@@H+]2CC[C@@H]2CNC(=O)Cn2ncnn2)cn1 ZINC001367939757 887441489 /nfs/dbraw/zinc/44/14/89/887441489.db2.gz PQJFPSSAAHLGJM-LLVKDONJSA-N 1 2 290.331 -1.203 20 0 CAADLO Cn1cc(C[N@H+]2CC[C@@H]2CNC(=O)Cn2ncnn2)cn1 ZINC001367939757 887441499 /nfs/dbraw/zinc/44/14/99/887441499.db2.gz PQJFPSSAAHLGJM-LLVKDONJSA-N 1 2 290.331 -1.203 20 0 CAADLO Cn1c[nH+]cc1CN1CC[C@H]1CNC(=O)Cn1cnnn1 ZINC001367935328 887441856 /nfs/dbraw/zinc/44/18/56/887441856.db2.gz VADWLQYPHUFFNN-JTQLQIEISA-N 1 2 290.331 -1.203 20 0 CAADLO CN(C)C(=O)C[N@@H+]1CC[C@@H]1CNC(=O)C[C@@H]1CCNC1=O ZINC001367950605 887441884 /nfs/dbraw/zinc/44/18/84/887441884.db2.gz NHBYZTQXOHZOEH-WDEREUQCSA-N 1 2 296.371 -1.209 20 0 CAADLO CN(C)C(=O)C[N@H+]1CC[C@@H]1CNC(=O)C[C@@H]1CCNC1=O ZINC001367950605 887441891 /nfs/dbraw/zinc/44/18/91/887441891.db2.gz NHBYZTQXOHZOEH-WDEREUQCSA-N 1 2 296.371 -1.209 20 0 CAADLO CCC(=O)NCC(=O)NC[C@@H]1CC[N@@H+]1[C@H]1CCN(C)C1=O ZINC001367936344 887442104 /nfs/dbraw/zinc/44/21/04/887442104.db2.gz OWLAXRJYOHIOMQ-QWRGUYRKSA-N 1 2 296.371 -1.066 20 0 CAADLO CCC(=O)NCC(=O)NC[C@@H]1CC[N@H+]1[C@H]1CCN(C)C1=O ZINC001367936344 887442110 /nfs/dbraw/zinc/44/21/10/887442110.db2.gz OWLAXRJYOHIOMQ-QWRGUYRKSA-N 1 2 296.371 -1.066 20 0 CAADLO CN(C)C(=O)C[N@@H+]1CC[C@@H]1CNC(=O)C[C@H]1CCNC1=O ZINC001367950593 887442310 /nfs/dbraw/zinc/44/23/10/887442310.db2.gz NHBYZTQXOHZOEH-GHMZBOCLSA-N 1 2 296.371 -1.209 20 0 CAADLO CN(C)C(=O)C[N@H+]1CC[C@@H]1CNC(=O)C[C@H]1CCNC1=O ZINC001367950593 887442315 /nfs/dbraw/zinc/44/23/15/887442315.db2.gz NHBYZTQXOHZOEH-GHMZBOCLSA-N 1 2 296.371 -1.209 20 0 CAADLO CC(=O)N(C)CC(=O)NC[C@@H]1CC[N@@H+]1CC(=O)N1CCC1 ZINC001367932533 887442411 /nfs/dbraw/zinc/44/24/11/887442411.db2.gz GTCHEASURZBJJB-LBPRGKRZSA-N 1 2 296.371 -1.113 20 0 CAADLO CC(=O)N(C)CC(=O)NC[C@@H]1CC[N@H+]1CC(=O)N1CCC1 ZINC001367932533 887442415 /nfs/dbraw/zinc/44/24/15/887442415.db2.gz GTCHEASURZBJJB-LBPRGKRZSA-N 1 2 296.371 -1.113 20 0 CAADLO CC[C@@H](C(N)=O)[N@@H+]1CC[C@H]1CNC(=O)CNC(=O)NC ZINC001367948806 887442919 /nfs/dbraw/zinc/44/29/19/887442919.db2.gz KHZQVUGKZJABQZ-IUCAKERBSA-N 1 2 285.348 -1.630 20 0 CAADLO CC[C@@H](C(N)=O)[N@H+]1CC[C@H]1CNC(=O)CNC(=O)NC ZINC001367948806 887442929 /nfs/dbraw/zinc/44/29/29/887442929.db2.gz KHZQVUGKZJABQZ-IUCAKERBSA-N 1 2 285.348 -1.630 20 0 CAADLO CC(=O)NCC(=O)NCC1([NH2+]Cc2nnnn2C)CC1 ZINC001367979737 887444178 /nfs/dbraw/zinc/44/41/78/887444178.db2.gz LPELANREDXRCNF-UHFFFAOYSA-N 1 2 281.320 -1.915 20 0 CAADLO CN1CC[C@@H]([N@@H+]2CC[C@@H]2CNC(=O)Cn2cncn2)C1=O ZINC001367978367 887445591 /nfs/dbraw/zinc/44/55/91/887445591.db2.gz VDKNLONPLIHPQY-GHMZBOCLSA-N 1 2 292.343 -1.301 20 0 CAADLO CN1CC[C@@H]([N@H+]2CC[C@@H]2CNC(=O)Cn2cncn2)C1=O ZINC001367978367 887445594 /nfs/dbraw/zinc/44/55/94/887445594.db2.gz VDKNLONPLIHPQY-GHMZBOCLSA-N 1 2 292.343 -1.301 20 0 CAADLO COC[C@H](O)C[N@@H+]1CC[C@H]1CNC(=O)CCc1cnn[nH]1 ZINC001367963840 887445863 /nfs/dbraw/zinc/44/58/63/887445863.db2.gz XVHMPGLZBIUTOZ-NWDGAFQWSA-N 1 2 297.359 -1.065 20 0 CAADLO COC[C@H](O)C[N@H+]1CC[C@H]1CNC(=O)CCc1cnn[nH]1 ZINC001367963840 887445870 /nfs/dbraw/zinc/44/58/70/887445870.db2.gz XVHMPGLZBIUTOZ-NWDGAFQWSA-N 1 2 297.359 -1.065 20 0 CAADLO COC[C@H](O)C[N@@H+]1CC[C@@H]1CNC(=O)CCc1cnn[nH]1 ZINC001367963841 887447043 /nfs/dbraw/zinc/44/70/43/887447043.db2.gz XVHMPGLZBIUTOZ-VXGBXAGGSA-N 1 2 297.359 -1.065 20 0 CAADLO COC[C@H](O)C[N@H+]1CC[C@@H]1CNC(=O)CCc1cnn[nH]1 ZINC001367963841 887447050 /nfs/dbraw/zinc/44/70/50/887447050.db2.gz XVHMPGLZBIUTOZ-VXGBXAGGSA-N 1 2 297.359 -1.065 20 0 CAADLO Cn1nnnc1C[NH2+]C1(CNC(=O)[C@@H]2CCOC2)CC1 ZINC001367990660 887447212 /nfs/dbraw/zinc/44/72/12/887447212.db2.gz SHHRCCCDROMIDI-SECBINFHSA-N 1 2 280.332 -1.015 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(N(C)C(=O)[C@@H](C)n2cncn2)C1 ZINC001368069135 887448314 /nfs/dbraw/zinc/44/83/14/887448314.db2.gz QUDVHQDKFQDQRL-PWSUYJOCSA-N 1 2 297.359 -1.011 20 0 CAADLO Cc1nnc(C[NH2+]C2(CNC(=O)CCNC(N)=O)CC2)[nH]1 ZINC001368033358 887449185 /nfs/dbraw/zinc/44/91/85/887449185.db2.gz ONBSFRJAEHPUIK-UHFFFAOYSA-N 1 2 295.347 -1.090 20 0 CAADLO C[C@H]1C[N@H+](CCNC(=O)N[C@@H]2COC[C@H]2O)CCO1 ZINC001368046704 887449374 /nfs/dbraw/zinc/44/93/74/887449374.db2.gz VJYLIVJMWGZVBX-HBNTYKKESA-N 1 2 273.333 -1.234 20 0 CAADLO C[C@H]1C[N@@H+](CCNC(=O)N[C@@H]2COC[C@H]2O)CCO1 ZINC001368046704 887449384 /nfs/dbraw/zinc/44/93/84/887449384.db2.gz VJYLIVJMWGZVBX-HBNTYKKESA-N 1 2 273.333 -1.234 20 0 CAADLO Cn1cnnc1C[NH2+]C1(CNC(=O)[C@H]2CNC(=O)N2)CC1 ZINC001368019172 887450123 /nfs/dbraw/zinc/45/01/23/887450123.db2.gz CTEJLKJTKSVAOX-MRVPVSSYSA-N 1 2 293.331 -1.765 20 0 CAADLO O=C(NCC1([NH2+]Cc2cnon2)CC1)[C@@H]1CNC(=O)N1 ZINC001368019500 887450806 /nfs/dbraw/zinc/45/08/06/887450806.db2.gz DCBIHZRNAUSQBN-QMMMGPOBSA-N 1 2 280.288 -1.511 20 0 CAADLO C[C@@]1(NC(=O)CCc2cn[nH]n2)CC[N@H+](CC(N)=O)C1 ZINC001368167529 887456559 /nfs/dbraw/zinc/45/65/59/887456559.db2.gz CTGPPDZJFZYKKY-GFCCVEGCSA-N 1 2 280.332 -1.197 20 0 CAADLO C[C@@]1(NC(=O)CCc2cn[nH]n2)CC[N@@H+](CC(N)=O)C1 ZINC001368167529 887456562 /nfs/dbraw/zinc/45/65/62/887456562.db2.gz CTGPPDZJFZYKKY-GFCCVEGCSA-N 1 2 280.332 -1.197 20 0 CAADLO CO[C@H](C)C[NH+]1CC(O)(CNC(=O)CCn2cncn2)C1 ZINC001368281045 887465579 /nfs/dbraw/zinc/46/55/79/887465579.db2.gz OPGKMYWQADKJOC-LLVKDONJSA-N 1 2 297.359 -1.134 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)Cc2nnc[nH]2)C1 ZINC001368283999 887469114 /nfs/dbraw/zinc/46/91/14/887469114.db2.gz XELUUZQQIAPUPR-GFCCVEGCSA-N 1 2 296.331 -2.354 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)Cc2nnc[nH]2)C1 ZINC001368283999 887469125 /nfs/dbraw/zinc/46/91/25/887469125.db2.gz XELUUZQQIAPUPR-GFCCVEGCSA-N 1 2 296.331 -2.354 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(O)(CNC(=O)c2ccn(C)c2)C1 ZINC001368288140 887469256 /nfs/dbraw/zinc/46/92/56/887469256.db2.gz JCBVPFGTQPGMTF-LBPRGKRZSA-N 1 2 297.355 -1.191 20 0 CAADLO Cc1nn(C)cc1C(=O)NCC1(O)C[NH+](CCCO)C1 ZINC001368287263 887469742 /nfs/dbraw/zinc/46/97/42/887469742.db2.gz HGJJHUONHRRITE-UHFFFAOYSA-N 1 2 282.344 -1.113 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CC[C@](O)(CNC(=O)Cc2nnc[nH]2)C1 ZINC001368281973 887470310 /nfs/dbraw/zinc/47/03/10/887470310.db2.gz RXNJIYAVOPZFMJ-PELKAZGASA-N 1 2 296.331 -2.226 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CC[C@](O)(CNC(=O)Cc2nnc[nH]2)C1 ZINC001368281973 887470313 /nfs/dbraw/zinc/47/03/13/887470313.db2.gz RXNJIYAVOPZFMJ-PELKAZGASA-N 1 2 296.331 -2.226 20 0 CAADLO C[C@@H](O)C[NH+]1CC(O)(CNC(=O)CC2OCCCO2)C1 ZINC001368287327 887470481 /nfs/dbraw/zinc/47/04/81/887470481.db2.gz BYJKQLHBGWLXLI-SNVBAGLBSA-N 1 2 288.344 -1.317 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(O)(CNC(=O)C[C@@H](C)OC)C1 ZINC001368282322 887470506 /nfs/dbraw/zinc/47/05/06/887470506.db2.gz JUFNJBHYLSFOMB-MNOVXSKESA-N 1 2 290.360 -1.418 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(O)(CNC(=O)c2cncnc2)C1 ZINC001368290734 887471067 /nfs/dbraw/zinc/47/10/67/887471067.db2.gz SYIDNXUTKBBKPG-NSHDSACASA-N 1 2 296.327 -1.740 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CC[C@@](O)(CNC(=O)Cc2nnc[nH]2)C1 ZINC001368281977 887471110 /nfs/dbraw/zinc/47/11/10/887471110.db2.gz RXNJIYAVOPZFMJ-PRHODGIISA-N 1 2 296.331 -2.226 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CC[C@@](O)(CNC(=O)Cc2nnc[nH]2)C1 ZINC001368281977 887471118 /nfs/dbraw/zinc/47/11/18/887471118.db2.gz RXNJIYAVOPZFMJ-PRHODGIISA-N 1 2 296.331 -2.226 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(O)(CNC(=O)[C@H](C)OC)C1 ZINC001368292341 887472672 /nfs/dbraw/zinc/47/26/72/887472672.db2.gz PNXBZBJMPSATOS-UWVGGRQHSA-N 1 2 276.333 -1.809 20 0 CAADLO C[C@@H](O)C[NH+]1CC(O)(CNC(=O)[C@H]2CCNC(=O)CC2)C1 ZINC001368299105 887472776 /nfs/dbraw/zinc/47/27/76/887472776.db2.gz CXFPPWPIGXPTHM-GHMZBOCLSA-N 1 2 299.371 -1.554 20 0 CAADLO COC[C@H](O)C[NH+]1CC(O)(CNC(=O)[C@H](C)OC)C1 ZINC001368292343 887473952 /nfs/dbraw/zinc/47/39/52/887473952.db2.gz PNXBZBJMPSATOS-VHSXEESVSA-N 1 2 276.333 -1.809 20 0 CAADLO COC[C@@H](C)[NH+]1CC(O)(CNC(=O)[C@@H](C)CC(N)=O)C1 ZINC001368303415 887474060 /nfs/dbraw/zinc/47/40/60/887474060.db2.gz NOHCLLKZKFTJSJ-VHSXEESVSA-N 1 2 287.360 -1.304 20 0 CAADLO C[C@H](O)C[NH+]1CC(O)(CNC(=O)[C@H]2COC(=O)N2)C1 ZINC001368296731 887474169 /nfs/dbraw/zinc/47/41/69/887474169.db2.gz JBTMRAHHTRFZIA-JGVFFNPUSA-N 1 2 273.289 -2.362 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(O)(CNC(=O)[C@@H]2CC2(F)F)C1 ZINC001368295398 887474318 /nfs/dbraw/zinc/47/43/18/887474318.db2.gz HMTHJIRLPHIBHD-IUCAKERBSA-N 1 2 294.298 -1.188 20 0 CAADLO CC[C@@H](C[NH+]1CC(O)(CNC(=O)c2nnn(C)n2)C1)OC ZINC001368303317 887474353 /nfs/dbraw/zinc/47/43/53/887474353.db2.gz IDNOWXWKKNBBAY-VIFPVBQESA-N 1 2 298.347 -1.588 20 0 CAADLO NC(=O)CN1CC(O)(CNC(=O)CCn2cc[nH+]c2)C1 ZINC001368302964 887474401 /nfs/dbraw/zinc/47/44/01/887474401.db2.gz PXLSJCIZOQNJTP-UHFFFAOYSA-N 1 2 281.316 -2.079 20 0 CAADLO C[C@@H](O)C[NH+]1CC(O)(CNC(=O)[C@H]2CCCC(=O)N2)C1 ZINC001368305099 887475845 /nfs/dbraw/zinc/47/58/45/887475845.db2.gz QSYUICZBRKSTLQ-NXEZZACHSA-N 1 2 285.344 -1.801 20 0 CAADLO CO[C@@H](C)C[NH+]1CC(O)(CNC(=O)Cc2nc[nH]n2)C1 ZINC001368320662 887476066 /nfs/dbraw/zinc/47/60/66/887476066.db2.gz IVRCSRKNDBMSBS-VIFPVBQESA-N 1 2 283.332 -1.455 20 0 CAADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC1(O)CN(CCO)C1 ZINC001368311493 887476174 /nfs/dbraw/zinc/47/61/74/887476174.db2.gz ZDZUDDBFCOLLBC-GHMZBOCLSA-N 1 2 294.355 -1.321 20 0 CAADLO C[C@]1(C(=O)NCC2(O)C[NH+](CCCO)C2)CCOC1 ZINC001368318605 887477169 /nfs/dbraw/zinc/47/71/69/887477169.db2.gz SDFNBMKPVWQQDK-LBPRGKRZSA-N 1 2 272.345 -1.042 20 0 CAADLO C[C@H](O)C[NH+]1CC(O)(CNC(=O)c2cccc(=O)n2C)C1 ZINC001368317334 887477304 /nfs/dbraw/zinc/47/73/04/887477304.db2.gz ZYISYYSHIKPJQB-JTQLQIEISA-N 1 2 295.339 -1.457 20 0 CAADLO CO[C@H](C)C[NH+]1CC(O)(CNC(=O)c2cnon2)C1 ZINC001368315621 887477420 /nfs/dbraw/zinc/47/74/20/887477420.db2.gz SQOFCWKAHSMYST-MRVPVSSYSA-N 1 2 270.289 -1.119 20 0 CAADLO COC[C@H](C)[NH+]1CC(O)(CNC(=O)[C@H](C)CC(N)=O)C1 ZINC001368303418 887477529 /nfs/dbraw/zinc/47/75/29/887477529.db2.gz NOHCLLKZKFTJSJ-ZJUUUORDSA-N 1 2 287.360 -1.304 20 0 CAADLO COC[C@H](C)[NH+]1CC(O)(CNC(=O)Cc2nc[nH]n2)C1 ZINC001368320553 887477899 /nfs/dbraw/zinc/47/78/99/887477899.db2.gz IBYVSJWMBSIWKE-VIFPVBQESA-N 1 2 283.332 -1.455 20 0 CAADLO CNC(=O)C[NH2+][C@H](C)[C@H]1CCN(C(=O)Cc2ncn[nH]2)C1 ZINC001368332440 887479388 /nfs/dbraw/zinc/47/93/88/887479388.db2.gz COVYCACCKXPESP-ZJUUUORDSA-N 1 2 294.359 -1.080 20 0 CAADLO COc1ccc(C(=O)NCC2(O)C[NH+](CCCO)C2)nn1 ZINC001368326312 887479813 /nfs/dbraw/zinc/47/98/13/887479813.db2.gz NWXGZJWBXYEUSU-UHFFFAOYSA-N 1 2 296.327 -1.356 20 0 CAADLO CCOCC(=O)N[C@@]1(CO)CCC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001368367761 887480695 /nfs/dbraw/zinc/48/06/95/887480695.db2.gz KGNLOZJPQBHCLD-FZMZJTMJSA-N 1 2 299.371 -1.146 20 0 CAADLO CCOCC(=O)N[C@@]1(CO)CCC[N@H+]([C@H]2CCNC2=O)C1 ZINC001368367761 887480703 /nfs/dbraw/zinc/48/07/03/887480703.db2.gz KGNLOZJPQBHCLD-FZMZJTMJSA-N 1 2 299.371 -1.146 20 0 CAADLO CCOCC(=O)N[C@]1(CO)CCC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001368367769 887481077 /nfs/dbraw/zinc/48/10/77/887481077.db2.gz KGNLOZJPQBHCLD-SMDDNHRTSA-N 1 2 299.371 -1.146 20 0 CAADLO CCOCC(=O)N[C@]1(CO)CCC[N@H+]([C@H]2CCNC2=O)C1 ZINC001368367769 887481088 /nfs/dbraw/zinc/48/10/88/887481088.db2.gz KGNLOZJPQBHCLD-SMDDNHRTSA-N 1 2 299.371 -1.146 20 0 CAADLO O=C(Cn1cncn1)NCC1(O)C[NH+](CCCF)C1 ZINC001368323771 887481146 /nfs/dbraw/zinc/48/11/46/887481146.db2.gz RJPUGCADNOEBOD-UHFFFAOYSA-N 1 2 271.296 -1.199 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@](CO)(NC(=O)C[C@@H]2CCOC2)C1 ZINC001368376973 887483812 /nfs/dbraw/zinc/48/38/12/887483812.db2.gz VDVGRSSWGUBWFO-FZMZJTMJSA-N 1 2 299.371 -1.159 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@](CO)(NC(=O)C[C@@H]2CCOC2)C1 ZINC001368376973 887483823 /nfs/dbraw/zinc/48/38/23/887483823.db2.gz VDVGRSSWGUBWFO-FZMZJTMJSA-N 1 2 299.371 -1.159 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@](CO)(NC(=O)[C@H]2CCCOC2)C1 ZINC001368374215 887484697 /nfs/dbraw/zinc/48/46/97/887484697.db2.gz QELYIBITVUJPQH-FZMZJTMJSA-N 1 2 299.371 -1.159 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@](CO)(NC(=O)[C@H]2CCCOC2)C1 ZINC001368374215 887484700 /nfs/dbraw/zinc/48/47/00/887484700.db2.gz QELYIBITVUJPQH-FZMZJTMJSA-N 1 2 299.371 -1.159 20 0 CAADLO O=C(CCN1CCCC1=O)NCC1(O)C[NH+](CCCO)C1 ZINC001368382006 887484785 /nfs/dbraw/zinc/48/47/85/887484785.db2.gz SDFGTOAHQIEZHH-UHFFFAOYSA-N 1 2 299.371 -1.456 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@](CO)(NC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001368384759 887484983 /nfs/dbraw/zinc/48/49/83/887484983.db2.gz XMGTYGBFLDAUFA-ZANVPECISA-N 1 2 298.343 -2.307 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@](CO)(NC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001368384759 887484988 /nfs/dbraw/zinc/48/49/88/887484988.db2.gz XMGTYGBFLDAUFA-ZANVPECISA-N 1 2 298.343 -2.307 20 0 CAADLO O=C(Cn1ncnn1)NC[C@H]1COCC[N@H+]1CCCF ZINC001368443389 887486786 /nfs/dbraw/zinc/48/67/86/887486786.db2.gz TZFDSFGCMVLXRH-JTQLQIEISA-N 1 2 286.311 -1.150 20 0 CAADLO O=C(Cn1ncnn1)NC[C@H]1COCC[N@@H+]1CCCF ZINC001368443389 887486793 /nfs/dbraw/zinc/48/67/93/887486793.db2.gz TZFDSFGCMVLXRH-JTQLQIEISA-N 1 2 286.311 -1.150 20 0 CAADLO CN(C)C(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)Cn1cncn1 ZINC001368437824 887487633 /nfs/dbraw/zinc/48/76/33/887487633.db2.gz MZUJSTWVCNSOPY-NSHDSACASA-N 1 2 294.359 -1.101 20 0 CAADLO CN(C)C(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)Cn1cncn1 ZINC001368437824 887487641 /nfs/dbraw/zinc/48/76/41/887487641.db2.gz MZUJSTWVCNSOPY-NSHDSACASA-N 1 2 294.359 -1.101 20 0 CAADLO CN(C[C@H]1CC[N@@H+]1CCF)C(=O)CN1CCNC(=O)C1 ZINC001368405168 887488485 /nfs/dbraw/zinc/48/84/85/887488485.db2.gz OKUXAELFZKKOAR-LLVKDONJSA-N 1 2 286.351 -1.080 20 0 CAADLO CN(C[C@H]1CC[N@H+]1CCF)C(=O)CN1CCNC(=O)C1 ZINC001368405168 887488490 /nfs/dbraw/zinc/48/84/90/887488490.db2.gz OKUXAELFZKKOAR-LLVKDONJSA-N 1 2 286.351 -1.080 20 0 CAADLO O=C(CCn1cncn1)NC[C@@H]1COCC[N@H+]1CCCO ZINC001368493094 887490065 /nfs/dbraw/zinc/49/00/65/887490065.db2.gz RNXAWEMZWKBNNZ-GFCCVEGCSA-N 1 2 297.359 -1.132 20 0 CAADLO O=C(CCn1cncn1)NC[C@@H]1COCC[N@@H+]1CCCO ZINC001368493094 887490074 /nfs/dbraw/zinc/49/00/74/887490074.db2.gz RNXAWEMZWKBNNZ-GFCCVEGCSA-N 1 2 297.359 -1.132 20 0 CAADLO O=C(CCn1cnnn1)N[C@H]1COC2(C[NH+](CCO)C2)C1 ZINC001368595720 887493692 /nfs/dbraw/zinc/49/36/92/887493692.db2.gz VGUKUJNMCMUJRA-SNVBAGLBSA-N 1 2 296.331 -1.985 20 0 CAADLO COCC[NH+]1CC2(C1)C[C@@H](NC(=O)CNC(C)=O)CO2 ZINC001368579971 887494097 /nfs/dbraw/zinc/49/40/97/887494097.db2.gz MRXIWRBGDVXQEU-LLVKDONJSA-N 1 2 285.344 -1.272 20 0 CAADLO COCC(=O)N[C@@H]1COC2(C[NH+](C[C@@H](O)COC)C2)C1 ZINC001368585361 887494720 /nfs/dbraw/zinc/49/47/20/887494720.db2.gz XMEQHBBNXNYOGP-WDEREUQCSA-N 1 2 288.344 -1.400 20 0 CAADLO CC(=O)NCC(=O)NC[C@H](C)[N@H+](C)Cc1nc(=O)n(C)[nH]1 ZINC001368932937 887509768 /nfs/dbraw/zinc/50/97/68/887509768.db2.gz RVBUDPTZTBEYEN-QMMMGPOBSA-N 1 2 298.347 -1.819 20 0 CAADLO CC(=O)NCC(=O)NC[C@H](C)[N@@H+](C)Cc1nc(=O)n(C)[nH]1 ZINC001368932937 887509772 /nfs/dbraw/zinc/50/97/72/887509772.db2.gz RVBUDPTZTBEYEN-QMMMGPOBSA-N 1 2 298.347 -1.819 20 0 CAADLO C[C@@H](CNC(=O)Cc1nnc[nH]1)[N@H+](C)[C@H]1CCNC1=O ZINC001369004364 887512920 /nfs/dbraw/zinc/51/29/20/887512920.db2.gz VOPYCOKUCOIZRL-IUCAKERBSA-N 1 2 280.332 -1.328 20 0 CAADLO C[C@@H](CNC(=O)Cc1nnc[nH]1)[N@@H+](C)[C@H]1CCNC1=O ZINC001369004364 887512929 /nfs/dbraw/zinc/51/29/29/887512929.db2.gz VOPYCOKUCOIZRL-IUCAKERBSA-N 1 2 280.332 -1.328 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(CCO)(NC(=O)c2cn[nH]c2)C1 ZINC001369020282 887513023 /nfs/dbraw/zinc/51/30/23/887513023.db2.gz DJLIRATYLYWQKP-NSHDSACASA-N 1 2 298.343 -1.416 20 0 CAADLO O=C(CN1CCOCC1)NC1(CCO)C[NH+](CCO)C1 ZINC001369017967 887513246 /nfs/dbraw/zinc/51/32/46/887513246.db2.gz NLHWREYIYHGJIN-UHFFFAOYSA-N 1 2 287.360 -2.136 20 0 CAADLO C[C@H](CNC(=O)Cc1nnc[nH]1)[N@H+](C)[C@@H]1CCNC1=O ZINC001369004365 887514083 /nfs/dbraw/zinc/51/40/83/887514083.db2.gz VOPYCOKUCOIZRL-RKDXNWHRSA-N 1 2 280.332 -1.328 20 0 CAADLO C[C@H](CNC(=O)Cc1nnc[nH]1)[N@@H+](C)[C@@H]1CCNC1=O ZINC001369004365 887514098 /nfs/dbraw/zinc/51/40/98/887514098.db2.gz VOPYCOKUCOIZRL-RKDXNWHRSA-N 1 2 280.332 -1.328 20 0 CAADLO COC[C@H](C)[NH+]1CC(CCO)(NC(=O)Cn2cnnn2)C1 ZINC001369014537 887514138 /nfs/dbraw/zinc/51/41/38/887514138.db2.gz LSXKPUZGCUDADY-JTQLQIEISA-N 1 2 298.347 -1.739 20 0 CAADLO O=C(C[C@H]1CCOC1)NC1(CCO)C[NH+](CCO)C1 ZINC001369017331 887514203 /nfs/dbraw/zinc/51/42/03/887514203.db2.gz MLYWLXJMDSJNFE-LLVKDONJSA-N 1 2 272.345 -1.042 20 0 CAADLO C[C@H](CNC(=O)Cc1nnc[nH]1)[N@H+](C)[C@H]1CCNC1=O ZINC001369004362 887514379 /nfs/dbraw/zinc/51/43/79/887514379.db2.gz VOPYCOKUCOIZRL-BDAKNGLRSA-N 1 2 280.332 -1.328 20 0 CAADLO C[C@H](CNC(=O)Cc1nnc[nH]1)[N@@H+](C)[C@H]1CCNC1=O ZINC001369004362 887514390 /nfs/dbraw/zinc/51/43/90/887514390.db2.gz VOPYCOKUCOIZRL-BDAKNGLRSA-N 1 2 280.332 -1.328 20 0 CAADLO C[C@H](O)C[NH+]1CC(CCO)(NC(=O)c2nccnc2N)C1 ZINC001369018447 887514423 /nfs/dbraw/zinc/51/44/23/887514423.db2.gz VSTIGKSEGCBPOE-VIFPVBQESA-N 1 2 295.343 -1.394 20 0 CAADLO Cn1ccc(C(=O)NC2(CCO)C[NH+](CCO)C2)cc1=O ZINC001369019400 887515923 /nfs/dbraw/zinc/51/59/23/887515923.db2.gz CPBBCTJKDRVTPF-UHFFFAOYSA-N 1 2 295.339 -1.456 20 0 CAADLO COCC[NH+]1CC(CCO)(NC(=O)CNC(=O)C2CC2)C1 ZINC001369023971 887517215 /nfs/dbraw/zinc/51/72/15/887517215.db2.gz VYSXPYSPUDDNNA-UHFFFAOYSA-N 1 2 299.371 -1.288 20 0 CAADLO O=C(NC1(CCO)C[NH+](CCO)C1)[C@@H]1C[C@@]12CCOC2 ZINC001369037656 887517262 /nfs/dbraw/zinc/51/72/62/887517262.db2.gz JMXRHMRIOVEUSL-WCQYABFASA-N 1 2 284.356 -1.042 20 0 CAADLO O=C(NC1(CCO)C[NH+](CCO)C1)[C@H]1C[C@]12CCOC2 ZINC001369037657 887517735 /nfs/dbraw/zinc/51/77/35/887517735.db2.gz JMXRHMRIOVEUSL-YPMHNXCESA-N 1 2 284.356 -1.042 20 0 CAADLO CN(CC(=O)NC1(CCO)C[NH+](CCO)C1)C(=O)C1CC1 ZINC001369027012 887517831 /nfs/dbraw/zinc/51/78/31/887517831.db2.gz PXOATHROUBMGPY-UHFFFAOYSA-N 1 2 299.371 -1.600 20 0 CAADLO COC[C@H](C)[NH+]1CC(CCO)(NC(=O)Cn2cncn2)C1 ZINC001369033455 887518148 /nfs/dbraw/zinc/51/81/48/887518148.db2.gz DFMWDPXEGDFOHP-NSHDSACASA-N 1 2 297.359 -1.134 20 0 CAADLO CCC(=O)N[C@@H](C)C(=O)N[C@@H](C)C1C[NH+](CC(N)=O)C1 ZINC001369070529 887518522 /nfs/dbraw/zinc/51/85/22/887518522.db2.gz DFKYFXFKSWZJPH-IUCAKERBSA-N 1 2 284.360 -1.177 20 0 CAADLO COC[C@@H](C)[NH+]1CC(CCO)(NC(=O)Cn2cncn2)C1 ZINC001369033453 887519022 /nfs/dbraw/zinc/51/90/22/887519022.db2.gz DFMWDPXEGDFOHP-LLVKDONJSA-N 1 2 297.359 -1.134 20 0 CAADLO CCn1nncc1C(=O)NC1(CCO)C[NH+](C[C@@H](C)O)C1 ZINC001369024752 887519226 /nfs/dbraw/zinc/51/92/26/887519226.db2.gz MDCXXPHCOBNKSG-SNVBAGLBSA-N 1 2 297.359 -1.155 20 0 CAADLO CNC(=O)C[NH+]1CC([C@H](C)NC(=O)CCn2ccnn2)C1 ZINC001369070692 887519922 /nfs/dbraw/zinc/51/99/22/887519922.db2.gz JRKIAUQODTWFMQ-JTQLQIEISA-N 1 2 294.359 -1.149 20 0 CAADLO CNC(=O)C[NH+]1CC([C@@H](C)NC(=O)CCn2ccnn2)C1 ZINC001369070693 887519998 /nfs/dbraw/zinc/51/99/98/887519998.db2.gz JRKIAUQODTWFMQ-SNVBAGLBSA-N 1 2 294.359 -1.149 20 0 CAADLO C[C@H](O)C[NH+]1CC(CCO)(NC(=O)[C@H]2CCC(=O)NC2)C1 ZINC001369020756 887520061 /nfs/dbraw/zinc/52/00/61/887520061.db2.gz LHJFZJJADPVBBG-QWRGUYRKSA-N 1 2 299.371 -1.554 20 0 CAADLO Cn1ccc(CC(=O)NC2(CCO)C[NH+](CCCO)C2)n1 ZINC001369026015 887520118 /nfs/dbraw/zinc/52/01/18/887520118.db2.gz VICQROISJDYHIK-UHFFFAOYSA-N 1 2 296.371 -1.102 20 0 CAADLO CC1(C)C[N@H+](CC(N)=O)C[C@H]1NC(=O)CCn1cncn1 ZINC001369112319 887520936 /nfs/dbraw/zinc/52/09/36/887520936.db2.gz SUYQFDKYOYMQGO-SNVBAGLBSA-N 1 2 294.359 -1.020 20 0 CAADLO CC1(C)C[N@@H+](CC(N)=O)C[C@H]1NC(=O)CCn1cncn1 ZINC001369112319 887520946 /nfs/dbraw/zinc/52/09/46/887520946.db2.gz SUYQFDKYOYMQGO-SNVBAGLBSA-N 1 2 294.359 -1.020 20 0 CAADLO CCNC(=O)C[NH+]1CC([C@@H](C)NC(=O)[C@@H]2COC(=O)N2)C1 ZINC001369075492 887521470 /nfs/dbraw/zinc/52/14/70/887521470.db2.gz JKVUYGGDRPDNGE-SCZZXKLOSA-N 1 2 298.343 -1.333 20 0 CAADLO C[C@@H](NC(=O)C[C@@H]1CCC(=O)N1)C1C[NH+](CC(N)=O)C1 ZINC001369092760 887522918 /nfs/dbraw/zinc/52/29/18/887522918.db2.gz UPILWQFVQGZKQW-SCZZXKLOSA-N 1 2 282.344 -1.423 20 0 CAADLO CCn1ncc(C[NH2+][C@@H](CO)CNC(=O)[C@H](C)OC)n1 ZINC001369304211 887529010 /nfs/dbraw/zinc/52/90/10/887529010.db2.gz GPLFVUJSKJEMNG-GXSJLCMTSA-N 1 2 285.348 -1.100 20 0 CAADLO Cn1ncnc1C[NH2+][C@@H](CO)CNC(=O)c1cn[nH]c1 ZINC001369310403 887531288 /nfs/dbraw/zinc/53/12/88/887531288.db2.gz RPUPITBNLURUIQ-SECBINFHSA-N 1 2 279.304 -1.581 20 0 CAADLO Cn1ncnc1C[NH2+][C@H](CO)CNC(=O)c1ccon1 ZINC001369305600 887531858 /nfs/dbraw/zinc/53/18/58/887531858.db2.gz JCARDJNCDPHGMJ-QMMMGPOBSA-N 1 2 280.288 -1.316 20 0 CAADLO O=C(Cn1cnnn1)NC[C@@H](CO)[NH2+]Cc1cscn1 ZINC001369307818 887532227 /nfs/dbraw/zinc/53/22/27/887532227.db2.gz GVPQOOOFXYXNQR-QMMMGPOBSA-N 1 2 297.344 -1.604 20 0 CAADLO C[C@@H]([NH2+][C@@H](CO)CNC(=O)c1cocn1)c1nnnn1C ZINC001369306330 887533559 /nfs/dbraw/zinc/53/35/59/887533559.db2.gz BLNWMQHZJGHYQY-HTQZYQBOSA-N 1 2 295.303 -1.360 20 0 CAADLO CCOCC(=O)NC[C@H](CO)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001369316104 887535238 /nfs/dbraw/zinc/53/52/38/887535238.db2.gz VYGACNXAFJPFCW-MRVPVSSYSA-N 1 2 287.320 -2.288 20 0 CAADLO CC(=O)N[C@H](C)C(=O)NC[C@@H](CO)[NH2+]Cc1nnc(C)[nH]1 ZINC001369312504 887535364 /nfs/dbraw/zinc/53/53/64/887535364.db2.gz NTRWEVRCOJMLJG-XCBNKYQSSA-N 1 2 298.347 -1.796 20 0 CAADLO CO[C@H](C)C(=O)NC[C@@H](CO)[NH2+]Cc1cnn(C)n1 ZINC001369312118 887535832 /nfs/dbraw/zinc/53/58/32/887535832.db2.gz VITVRDFEFKBVDF-SCZZXKLOSA-N 1 2 271.321 -1.583 20 0 CAADLO CCOCC(=O)NC[C@@H](CO)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001369316106 887537289 /nfs/dbraw/zinc/53/72/89/887537289.db2.gz VYGACNXAFJPFCW-QMMMGPOBSA-N 1 2 287.320 -2.288 20 0 CAADLO Cn1nnnc1C[NH2+][C@H](CO)CNC(=O)CC1CCC1 ZINC001369314970 887537392 /nfs/dbraw/zinc/53/73/92/887537392.db2.gz SVUOFVNBTBGVEC-JTQLQIEISA-N 1 2 282.348 -1.033 20 0 CAADLO O=C(CN1CCOCC1)NC[C@@H](CO)[NH2+]Cc1ccon1 ZINC001369323298 887538635 /nfs/dbraw/zinc/53/86/35/887538635.db2.gz QWQWYNMQCOUSIY-LBPRGKRZSA-N 1 2 298.343 -1.427 20 0 CAADLO Cn1cc(C[NH2+][C@H](CO)CNC(=O)c2cnnn2C)nn1 ZINC001369322294 887538969 /nfs/dbraw/zinc/53/89/69/887538969.db2.gz LNSJMOAMJOLYHN-VIFPVBQESA-N 1 2 294.319 -2.176 20 0 CAADLO Cn1cnnc1C[NH2+][C@H](CO)CNC(=O)C[C@@H]1CCOC1 ZINC001369320400 887539088 /nfs/dbraw/zinc/53/90/88/887539088.db2.gz OJFJGXYMHSXTPL-QWRGUYRKSA-N 1 2 297.359 -1.192 20 0 CAADLO Cn1cnnc1C[NH2+][C@@H](CO)CNC(=O)C[C@@H]1CCOC1 ZINC001369320401 887539260 /nfs/dbraw/zinc/53/92/60/887539260.db2.gz OJFJGXYMHSXTPL-WDEREUQCSA-N 1 2 297.359 -1.192 20 0 CAADLO Cc1[nH]ccc1C(=O)NC[C@@H](CO)[NH2+]Cc1nnnn1C ZINC001369320168 887540088 /nfs/dbraw/zinc/54/00/88/887540088.db2.gz XWKBFCSXLZGAOO-VIFPVBQESA-N 1 2 293.331 -1.273 20 0 CAADLO O=C(CN1CCOCC1)NC[C@H](CO)[NH2+]Cc1ccon1 ZINC001369323297 887540177 /nfs/dbraw/zinc/54/01/77/887540177.db2.gz QWQWYNMQCOUSIY-GFCCVEGCSA-N 1 2 298.343 -1.427 20 0 CAADLO Cc1conc1C[NH2+][C@@H](CO)CNC(=O)[C@H]1CCC(=O)N1 ZINC001369318125 887540861 /nfs/dbraw/zinc/54/08/61/887540861.db2.gz DIGPJCRHYLCEEX-NXEZZACHSA-N 1 2 296.327 -1.172 20 0 CAADLO Cn1cnnc1C[NH2+][C@H](CO)CNC(=O)Cc1ccon1 ZINC001369318972 887541106 /nfs/dbraw/zinc/54/11/06/887541106.db2.gz IUSURHXQGGASMG-JTQLQIEISA-N 1 2 294.315 -1.388 20 0 CAADLO NC(=O)C[NH2+][C@H](CO)CNC(=O)C(F)C(F)(F)F ZINC001369330892 887544256 /nfs/dbraw/zinc/54/42/56/887544256.db2.gz YFLUEIXDCICVGK-UJURSFKZSA-N 1 2 275.202 -1.561 20 0 CAADLO NC(=O)C[NH2+][C@H](CO)CNC(=O)[C@@H](F)C(F)(F)F ZINC001369330892 887544265 /nfs/dbraw/zinc/54/42/65/887544265.db2.gz YFLUEIXDCICVGK-UJURSFKZSA-N 1 2 275.202 -1.561 20 0 CAADLO Cn1cc(C[NH2+][C@@H](CO)CNC(=O)[C@@H]2COC(=O)N2)nn1 ZINC001369333662 887546848 /nfs/dbraw/zinc/54/68/48/887546848.db2.gz NNLTZJHIGMQCFZ-BDAKNGLRSA-N 1 2 298.303 -2.510 20 0 CAADLO Cn1cc(C[NH2+][C@H](CO)CNC(=O)[C@@H]2COC(=O)N2)nn1 ZINC001369333669 887546953 /nfs/dbraw/zinc/54/69/53/887546953.db2.gz NNLTZJHIGMQCFZ-IUCAKERBSA-N 1 2 298.303 -2.510 20 0 CAADLO Cn1cncc1C(=O)NC[C@H](CO)[NH2+]Cc1ncnn1C ZINC001369338524 887547046 /nfs/dbraw/zinc/54/70/46/887547046.db2.gz IETYAQKHHXWVEZ-SECBINFHSA-N 1 2 293.331 -1.571 20 0 CAADLO Cn1cc(C[NH2+][C@H](CO)CNC(=O)[C@H]2COC(=O)N2)nn1 ZINC001369333667 887547215 /nfs/dbraw/zinc/54/72/15/887547215.db2.gz NNLTZJHIGMQCFZ-DTWKUNHWSA-N 1 2 298.303 -2.510 20 0 CAADLO C[C@H]([NH2+][C@H](CO)CNC(=O)c1cn[nH]n1)c1nncn1C ZINC001369349062 887549668 /nfs/dbraw/zinc/54/96/68/887549668.db2.gz RGBCGSGMYHCEPM-YUMQZZPRSA-N 1 2 294.319 -1.625 20 0 CAADLO Cn1nnnc1C[NH2+][C@@H](CO)CNC(=O)CC1(O)CCC1 ZINC001369348160 887550529 /nfs/dbraw/zinc/55/05/29/887550529.db2.gz ZNTNUSDRJULBAZ-SECBINFHSA-N 1 2 298.347 -1.918 20 0 CAADLO Cn1nnnc1C[NH2+][C@H](CO)CNC(=O)CC1(O)CCC1 ZINC001369348171 887550937 /nfs/dbraw/zinc/55/09/37/887550937.db2.gz ZNTNUSDRJULBAZ-VIFPVBQESA-N 1 2 298.347 -1.918 20 0 CAADLO C[C@@H]([NH2+][C@@H](CO)CNC(=O)c1cn[nH]n1)c1nncn1C ZINC001369349035 887551089 /nfs/dbraw/zinc/55/10/89/887551089.db2.gz RGBCGSGMYHCEPM-HTQZYQBOSA-N 1 2 294.319 -1.625 20 0 CAADLO C[C@@H]([NH2+][C@H](CO)CNC(=O)c1cn[nH]n1)c1nncn1C ZINC001369349055 887551191 /nfs/dbraw/zinc/55/11/91/887551191.db2.gz RGBCGSGMYHCEPM-SFYZADRCSA-N 1 2 294.319 -1.625 20 0 CAADLO Cc1cocc1C(=O)NC[C@@H](CO)[NH2+]Cc1nnnn1C ZINC001369349513 887551232 /nfs/dbraw/zinc/55/12/32/887551232.db2.gz FEJWQLSNXPRJLO-VIFPVBQESA-N 1 2 294.315 -1.008 20 0 CAADLO Cc1nonc1C[NH2+][C@@H](CO)CNC(=O)c1cnon1 ZINC001369360452 887552594 /nfs/dbraw/zinc/55/25/94/887552594.db2.gz GSXPOVGCWVCUDX-SSDOTTSWSA-N 1 2 282.260 -1.358 20 0 CAADLO CC[C@@H]1C[C@H]1C(=O)NC[C@@H](CO)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001369361094 887553347 /nfs/dbraw/zinc/55/33/47/887553347.db2.gz IIRGXBZHXFZRGS-KXUCPTDWSA-N 1 2 297.359 -1.279 20 0 CAADLO C[C@H]1C[C@@H]1C(=O)NC[C@@H](CO)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001369354816 887553747 /nfs/dbraw/zinc/55/37/47/887553747.db2.gz PFZMYKCSGZXZBN-CIUDSAMLSA-N 1 2 283.332 -1.669 20 0 CAADLO CN1C(=O)CC[C@H]1C(=O)NC[C@@H](CO)[NH2+]Cc1ccon1 ZINC001369356620 887554418 /nfs/dbraw/zinc/55/44/18/887554418.db2.gz WSTDGILJSLKEJM-QWRGUYRKSA-N 1 2 296.327 -1.138 20 0 CAADLO CC(C)[C@H](C)C(=O)NC[C@@H](CO)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001369365868 887556183 /nfs/dbraw/zinc/55/61/83/887556183.db2.gz SHLQYXIFLZWDOU-UWVGGRQHSA-N 1 2 299.375 -1.033 20 0 CAADLO CC(C)[C@@H](C)C(=O)NC[C@@H](CO)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001369365885 887557109 /nfs/dbraw/zinc/55/71/09/887557109.db2.gz SHLQYXIFLZWDOU-ZJUUUORDSA-N 1 2 299.375 -1.033 20 0 CAADLO Cc1cc(C[NH2+][C@H](CO)CNC(=O)[C@H]2C[C@H]2C(N)=O)no1 ZINC001369364900 887557408 /nfs/dbraw/zinc/55/74/08/887557408.db2.gz ODOKCPAZDOEABG-AXFHLTTASA-N 1 2 296.327 -1.329 20 0 CAADLO Cc1cnoc1C(=O)NC[C@@H](CO)[NH2+]Cc1cnn(C)n1 ZINC001369363781 887557682 /nfs/dbraw/zinc/55/76/82/887557682.db2.gz FFVCCJJIDCCBLJ-JTQLQIEISA-N 1 2 294.315 -1.008 20 0 CAADLO Cc1nonc1C[NH2+][C@H](CO)CNC(=O)c1cnn(C)n1 ZINC001369364680 887557974 /nfs/dbraw/zinc/55/79/74/887557974.db2.gz SILTWXZZUVBDJW-QMMMGPOBSA-N 1 2 295.303 -1.613 20 0 CAADLO Cn1ncc(C[NH2+][C@H](CO)CNC(=O)Cc2ccc[nH]2)n1 ZINC001369378555 887560472 /nfs/dbraw/zinc/56/04/72/887560472.db2.gz OCPRNLHHJBIUCC-LBPRGKRZSA-N 1 2 292.343 -1.047 20 0 CAADLO Cc1cc(C[NH2+][C@H](CO)CNC(=O)Cc2nc[nH]n2)on1 ZINC001369381616 887560917 /nfs/dbraw/zinc/56/09/17/887560917.db2.gz QLFSFYXJAWOIGA-VIFPVBQESA-N 1 2 294.315 -1.089 20 0 CAADLO O=C(Cn1cc[nH+]c1)NC[C@H](CO)NCc1ncccn1 ZINC001369370119 887561100 /nfs/dbraw/zinc/56/11/00/887561100.db2.gz CDSUQXLSJXRNTJ-LLVKDONJSA-N 1 2 290.327 -1.060 20 0 CAADLO Cn1cc(C[NH2+][C@H](CO)CNC(=O)[C@@]2(C)CCOC2)nn1 ZINC001369378517 887561336 /nfs/dbraw/zinc/56/13/36/887561336.db2.gz ZADWLLUDJIBHFL-AAEUAGOBSA-N 1 2 297.359 -1.192 20 0 CAADLO CN(C[C@H](O)C[NH2+]Cc1nnnn1C)C(=O)c1ccn[nH]1 ZINC001369442983 887565376 /nfs/dbraw/zinc/56/53/76/887565376.db2.gz COBNSHRMZJRGNR-MRVPVSSYSA-N 1 2 294.319 -1.844 20 0 CAADLO CNC(=O)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)Cc2ncn[nH]2)C1 ZINC001369395641 887565995 /nfs/dbraw/zinc/56/59/95/887565995.db2.gz FDJXPIXATUPOPG-RKDXNWHRSA-N 1 2 280.332 -1.328 20 0 CAADLO CN(C[C@@H](O)C[NH2+]Cc1nnnn1C)C(=O)c1ccn[nH]1 ZINC001369442985 887569581 /nfs/dbraw/zinc/56/95/81/887569581.db2.gz COBNSHRMZJRGNR-QMMMGPOBSA-N 1 2 294.319 -1.844 20 0 CAADLO Cc1nnc(C[NH2+]C[C@@H](O)CN(C)C(=O)c2cnon2)o1 ZINC001369467304 887572642 /nfs/dbraw/zinc/57/26/42/887572642.db2.gz AEPKZFCAYUEQPU-MRVPVSSYSA-N 1 2 296.287 -1.016 20 0 CAADLO COCC[N@H+](CCNC(C)=O)CC(=O)N1CCOCC1 ZINC001369548639 887580591 /nfs/dbraw/zinc/58/05/91/887580591.db2.gz DEGXHWVTUPNLQZ-UHFFFAOYSA-N 1 2 287.360 -1.070 20 0 CAADLO COCC[N@@H+](CCNC(C)=O)CC(=O)N1CCOCC1 ZINC001369548639 887580598 /nfs/dbraw/zinc/58/05/98/887580598.db2.gz DEGXHWVTUPNLQZ-UHFFFAOYSA-N 1 2 287.360 -1.070 20 0 CAADLO CN(C)C(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)c1ccn[nH]1 ZINC001369495159 887583668 /nfs/dbraw/zinc/58/36/68/887583668.db2.gz KHHQXHUMHGPZFV-SNVBAGLBSA-N 1 2 297.359 -1.137 20 0 CAADLO CN(C)C(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1ccn[nH]1 ZINC001369495159 887583678 /nfs/dbraw/zinc/58/36/78/887583678.db2.gz KHHQXHUMHGPZFV-SNVBAGLBSA-N 1 2 297.359 -1.137 20 0 CAADLO COCC[N@H+](CCNC(=O)c1cnn(C)c1C)CC(N)=O ZINC001369552579 887584112 /nfs/dbraw/zinc/58/41/12/887584112.db2.gz IXDXWRQDUNHYPY-UHFFFAOYSA-N 1 2 297.359 -1.108 20 0 CAADLO COCC[N@@H+](CCNC(=O)c1cnn(C)c1C)CC(N)=O ZINC001369552579 887584119 /nfs/dbraw/zinc/58/41/19/887584119.db2.gz IXDXWRQDUNHYPY-UHFFFAOYSA-N 1 2 297.359 -1.108 20 0 CAADLO COCC[N@H+](CCNC(=O)c1cn[nH]c1)[C@@H](C)C(N)=O ZINC001369552923 887586615 /nfs/dbraw/zinc/58/66/15/887586615.db2.gz KFDAEHFSSYGZOU-VIFPVBQESA-N 1 2 283.332 -1.038 20 0 CAADLO COCC[N@@H+](CCNC(=O)c1cn[nH]c1)[C@@H](C)C(N)=O ZINC001369552923 887586630 /nfs/dbraw/zinc/58/66/30/887586630.db2.gz KFDAEHFSSYGZOU-VIFPVBQESA-N 1 2 283.332 -1.038 20 0 CAADLO COCC[N@H+](CCNC(=O)c1nnn(C)n1)CC(N)=O ZINC001369563504 887588077 /nfs/dbraw/zinc/58/80/77/887588077.db2.gz QMOLGOGUCJKBPG-UHFFFAOYSA-N 1 2 285.308 -2.626 20 0 CAADLO COCC[N@@H+](CCNC(=O)c1nnn(C)n1)CC(N)=O ZINC001369563504 887588084 /nfs/dbraw/zinc/58/80/84/887588084.db2.gz QMOLGOGUCJKBPG-UHFFFAOYSA-N 1 2 285.308 -2.626 20 0 CAADLO COCC[N@H+](CCNC(=O)c1cn[nH]c1)[C@H](C)C(N)=O ZINC001369552915 887588784 /nfs/dbraw/zinc/58/87/84/887588784.db2.gz KFDAEHFSSYGZOU-SECBINFHSA-N 1 2 283.332 -1.038 20 0 CAADLO CNC(=O)C[N@H+]1CCC[C@@H](NC(=O)CNC(=O)OC)C1 ZINC001369800692 887591202 /nfs/dbraw/zinc/59/12/02/887591202.db2.gz UHRPEKQRIKZKLG-SECBINFHSA-N 1 2 286.332 -1.331 20 0 CAADLO CNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)CNC(=O)OC)C1 ZINC001369800692 887591197 /nfs/dbraw/zinc/59/11/97/887591197.db2.gz UHRPEKQRIKZKLG-SECBINFHSA-N 1 2 286.332 -1.331 20 0 CAADLO COCC(=O)NCC[NH+]1CCN(Cc2cnn(C)n2)CC1 ZINC001369868101 887591541 /nfs/dbraw/zinc/59/15/41/887591541.db2.gz KNKODZHJSXGFLL-UHFFFAOYSA-N 1 2 296.375 -1.305 20 0 CAADLO CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCC(=O)N2)C1 ZINC001369797004 887592299 /nfs/dbraw/zinc/59/22/99/887592299.db2.gz JBSGFLPDKYJBAO-GHMZBOCLSA-N 1 2 296.371 -1.018 20 0 CAADLO CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCC(=O)N2)C1 ZINC001369797004 887592315 /nfs/dbraw/zinc/59/23/15/887592315.db2.gz JBSGFLPDKYJBAO-GHMZBOCLSA-N 1 2 296.371 -1.018 20 0 CAADLO NC(=O)NC(=O)C[N@@H+]1CC[C@H](NC(=O)c2ccn[nH]2)C1 ZINC001369960467 887594813 /nfs/dbraw/zinc/59/48/13/887594813.db2.gz UJBRBAZOYYWWIZ-ZETCQYMHSA-N 1 2 280.288 -1.591 20 0 CAADLO NC(=O)NC(=O)C[N@H+]1CC[C@H](NC(=O)c2ccn[nH]2)C1 ZINC001369960467 887594824 /nfs/dbraw/zinc/59/48/24/887594824.db2.gz UJBRBAZOYYWWIZ-ZETCQYMHSA-N 1 2 280.288 -1.591 20 0 CAADLO O=C(NCC[NH+]1CCN(CCF)CC1)[C@@H]1COC(=O)N1 ZINC001369894358 887595104 /nfs/dbraw/zinc/59/51/04/887595104.db2.gz AWXGGPVWSDOUJJ-JTQLQIEISA-N 1 2 288.323 -1.202 20 0 CAADLO CCS(=O)(=O)CC(=O)N[C@@H]1CC[N@H+](C[C@H](C)O)C1 ZINC001370057275 887597599 /nfs/dbraw/zinc/59/75/99/887597599.db2.gz CCPYBMQMHGFOPP-VHSXEESVSA-N 1 2 278.374 -1.008 20 0 CAADLO CCS(=O)(=O)CC(=O)N[C@@H]1CC[N@@H+](C[C@H](C)O)C1 ZINC001370057275 887597602 /nfs/dbraw/zinc/59/76/02/887597602.db2.gz CCPYBMQMHGFOPP-VHSXEESVSA-N 1 2 278.374 -1.008 20 0 CAADLO NC(=O)NC(=O)C[N@@H+]1CC[C@H](NC(=O)CC2(O)CCC2)C1 ZINC001369972706 887597893 /nfs/dbraw/zinc/59/78/93/887597893.db2.gz GGIYBNPFSAVEDH-VIFPVBQESA-N 1 2 298.343 -1.323 20 0 CAADLO NC(=O)NC(=O)C[N@H+]1CC[C@H](NC(=O)CC2(O)CCC2)C1 ZINC001369972706 887597899 /nfs/dbraw/zinc/59/78/99/887597899.db2.gz GGIYBNPFSAVEDH-VIFPVBQESA-N 1 2 298.343 -1.323 20 0 CAADLO CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)Cc2nnc(C)[nH]2)C1 ZINC001369974189 887597991 /nfs/dbraw/zinc/59/79/91/887597991.db2.gz JUYSOEYADXHOLS-JTQLQIEISA-N 1 2 294.359 -1.018 20 0 CAADLO CCNC(=O)C[N@H+]1CC[C@H](NC(=O)Cc2nnc(C)[nH]2)C1 ZINC001369974189 887597997 /nfs/dbraw/zinc/59/79/97/887597997.db2.gz JUYSOEYADXHOLS-JTQLQIEISA-N 1 2 294.359 -1.018 20 0 CAADLO NC(=O)NC(=O)C[N@@H+]1CC[C@H](NC(=O)C[C@H]2CCOC2)C1 ZINC001370018861 887598148 /nfs/dbraw/zinc/59/81/48/887598148.db2.gz QXQQGWFRXZSVQC-ZJUUUORDSA-N 1 2 298.343 -1.202 20 0 CAADLO NC(=O)NC(=O)C[N@H+]1CC[C@H](NC(=O)C[C@H]2CCOC2)C1 ZINC001370018861 887598153 /nfs/dbraw/zinc/59/81/53/887598153.db2.gz QXQQGWFRXZSVQC-ZJUUUORDSA-N 1 2 298.343 -1.202 20 0 CAADLO Cn1cc(C(=O)N[C@H]2CC[N@H+](CC(=O)NC(N)=O)C2)nn1 ZINC001369980398 887598479 /nfs/dbraw/zinc/59/84/79/887598479.db2.gz YKCAJTOMGAIAAJ-ZETCQYMHSA-N 1 2 295.303 -2.186 20 0 CAADLO Cn1cc(C(=O)N[C@H]2CC[N@@H+](CC(=O)NC(N)=O)C2)nn1 ZINC001369980398 887598491 /nfs/dbraw/zinc/59/84/91/887598491.db2.gz YKCAJTOMGAIAAJ-ZETCQYMHSA-N 1 2 295.303 -2.186 20 0 CAADLO NC(=O)NC(=O)C[N@@H+]1CC[C@@H](NC(=O)CC2(O)CCC2)C1 ZINC001369972693 887599836 /nfs/dbraw/zinc/59/98/36/887599836.db2.gz GGIYBNPFSAVEDH-SECBINFHSA-N 1 2 298.343 -1.323 20 0 CAADLO NC(=O)NC(=O)C[N@H+]1CC[C@@H](NC(=O)CC2(O)CCC2)C1 ZINC001369972693 887599845 /nfs/dbraw/zinc/59/98/45/887599845.db2.gz GGIYBNPFSAVEDH-SECBINFHSA-N 1 2 298.343 -1.323 20 0 CAADLO CCS(=O)(=O)NCC(=O)N[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001369973628 887600120 /nfs/dbraw/zinc/60/01/20/887600120.db2.gz CRZQBLBBDBCQDF-QMMMGPOBSA-N 1 2 292.361 -2.399 20 0 CAADLO CCS(=O)(=O)NCC(=O)N[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001369973628 887600129 /nfs/dbraw/zinc/60/01/29/887600129.db2.gz CRZQBLBBDBCQDF-QMMMGPOBSA-N 1 2 292.361 -2.399 20 0 CAADLO CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cc2nnc(C)[nH]2)C1 ZINC001369974194 887600441 /nfs/dbraw/zinc/60/04/41/887600441.db2.gz JUYSOEYADXHOLS-SNVBAGLBSA-N 1 2 294.359 -1.018 20 0 CAADLO CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)Cc2nnc(C)[nH]2)C1 ZINC001369974194 887600449 /nfs/dbraw/zinc/60/04/49/887600449.db2.gz JUYSOEYADXHOLS-SNVBAGLBSA-N 1 2 294.359 -1.018 20 0 CAADLO CCCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001370019675 887600851 /nfs/dbraw/zinc/60/08/51/887600851.db2.gz QOXBEGQDPVBXBM-MXWKQRLJSA-N 1 2 296.371 -1.176 20 0 CAADLO CCCNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001370019675 887600856 /nfs/dbraw/zinc/60/08/56/887600856.db2.gz QOXBEGQDPVBXBM-MXWKQRLJSA-N 1 2 296.371 -1.176 20 0 CAADLO CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2ncn(C)n2)C1 ZINC001369980418 887600929 /nfs/dbraw/zinc/60/09/29/887600929.db2.gz YNGPYYTVSHQKGT-VIFPVBQESA-N 1 2 280.332 -1.245 20 0 CAADLO CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2ncn(C)n2)C1 ZINC001369980418 887600935 /nfs/dbraw/zinc/60/09/35/887600935.db2.gz YNGPYYTVSHQKGT-VIFPVBQESA-N 1 2 280.332 -1.245 20 0 CAADLO NC(=O)NC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cc2cc[nH]n2)C1 ZINC001369972764 887601009 /nfs/dbraw/zinc/60/10/09/887601009.db2.gz WNDNSPXJNFMZAU-SECBINFHSA-N 1 2 294.315 -1.662 20 0 CAADLO NC(=O)NC(=O)C[N@H+]1CC[C@@H](NC(=O)Cc2cc[nH]n2)C1 ZINC001369972764 887601013 /nfs/dbraw/zinc/60/10/13/887601013.db2.gz WNDNSPXJNFMZAU-SECBINFHSA-N 1 2 294.315 -1.662 20 0 CAADLO Cn1cc(C(=O)N[C@@H]2CC[N@H+](CC(=O)NC(N)=O)C2)nn1 ZINC001369980391 887601075 /nfs/dbraw/zinc/60/10/75/887601075.db2.gz YKCAJTOMGAIAAJ-SSDOTTSWSA-N 1 2 295.303 -2.186 20 0 CAADLO Cn1cc(C(=O)N[C@@H]2CC[N@@H+](CC(=O)NC(N)=O)C2)nn1 ZINC001369980391 887601078 /nfs/dbraw/zinc/60/10/78/887601078.db2.gz YKCAJTOMGAIAAJ-SSDOTTSWSA-N 1 2 295.303 -2.186 20 0 CAADLO C[C@@H](CC(N)=O)C(=O)N[C@H]1C[C@H]([NH2+]Cc2nnn(C)n2)C1 ZINC001370502495 887611201 /nfs/dbraw/zinc/61/12/01/887611201.db2.gz VCJIWTREAQJMGC-CIUDSAMLSA-N 1 2 295.347 -1.542 20 0 CAADLO O=C(Cn1cc[nH+]c1)N[C@@H](CO)CNC(=O)[C@@H]1CCCO1 ZINC001370649001 887621027 /nfs/dbraw/zinc/62/10/27/887621027.db2.gz QZOCCCQBNMYYTN-MNOVXSKESA-N 1 2 296.327 -1.345 20 0 CAADLO O=C(Cc1[nH]cc[nH+]1)N[C@@H](CO)CNC(=O)[C@@H]1CCOC1 ZINC001370663463 887623496 /nfs/dbraw/zinc/62/34/96/887623496.db2.gz RKBWIZYPTVLBMQ-NXEZZACHSA-N 1 2 296.327 -1.418 20 0 CAADLO CCOCC(=O)N[C@H](CO)CNC(=O)Cn1cc[nH+]c1 ZINC001370729609 887631922 /nfs/dbraw/zinc/63/19/22/887631922.db2.gz YBMKDZOFKKUHHB-JTQLQIEISA-N 1 2 284.316 -1.487 20 0 CAADLO C[C@@H](CNC(=O)C1=COCCO1)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001371101732 887647813 /nfs/dbraw/zinc/64/78/13/887647813.db2.gz NPKDREAPZMDBEZ-QMMMGPOBSA-N 1 2 297.315 -1.409 20 0 CAADLO C[C@H](CNC(=O)[C@H]1CNC(=O)N1)[NH2+]Cc1nncs1 ZINC001371342757 887655783 /nfs/dbraw/zinc/65/57/83/887655783.db2.gz HIESPZIXRLJIHO-RNFRBKRXSA-N 1 2 284.345 -1.186 20 0 CAADLO COCC(=O)N1C[C@@H](O)[C@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001371460530 887662506 /nfs/dbraw/zinc/66/25/06/887662506.db2.gz IIYHYEWEKJLZSM-GHMZBOCLSA-N 1 2 296.327 -1.323 20 0 CAADLO COCC(=O)N1C[C@@H](O)[C@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001371460530 887662516 /nfs/dbraw/zinc/66/25/16/887662516.db2.gz IIYHYEWEKJLZSM-GHMZBOCLSA-N 1 2 296.327 -1.323 20 0 CAADLO C[C@H](CNC(=O)Cn1ccnc1)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001371487667 887663824 /nfs/dbraw/zinc/66/38/24/887663824.db2.gz OJHOKHMVSPGURC-SECBINFHSA-N 1 2 293.331 -1.401 20 0 CAADLO CCNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)Cc2ncn[nH]2)C1 ZINC001371631239 887670869 /nfs/dbraw/zinc/67/08/69/887670869.db2.gz LIRNFASDRWSKNM-JTQLQIEISA-N 1 2 294.359 -1.079 20 0 CAADLO C[C@H]([NH2+]C[C@@H]1CCN(C(=O)Cc2ncn[nH]2)C1)C(N)=O ZINC001371636060 887671191 /nfs/dbraw/zinc/67/11/91/887671191.db2.gz QDEWNVPOISWVHS-IUCAKERBSA-N 1 2 280.332 -1.341 20 0 CAADLO C[N@H+](CCNC(=O)[C@@H]1COCCO1)CC(=O)N1CCC1 ZINC001371921665 887674566 /nfs/dbraw/zinc/67/45/66/887674566.db2.gz RQSTVECLBSGPJK-NSHDSACASA-N 1 2 285.344 -1.318 20 0 CAADLO C[N@@H+](CCNC(=O)[C@@H]1COCCO1)CC(=O)N1CCC1 ZINC001371921665 887674571 /nfs/dbraw/zinc/67/45/71/887674571.db2.gz RQSTVECLBSGPJK-NSHDSACASA-N 1 2 285.344 -1.318 20 0 CAADLO C[N@H+](CCNC(=O)[C@H]1COCCO1)CC(=O)N1CCC1 ZINC001371921661 887674913 /nfs/dbraw/zinc/67/49/13/887674913.db2.gz RQSTVECLBSGPJK-LLVKDONJSA-N 1 2 285.344 -1.318 20 0 CAADLO C[N@@H+](CCNC(=O)[C@H]1COCCO1)CC(=O)N1CCC1 ZINC001371921661 887674918 /nfs/dbraw/zinc/67/49/18/887674918.db2.gz RQSTVECLBSGPJK-LLVKDONJSA-N 1 2 285.344 -1.318 20 0 CAADLO CCNC(=O)C[N@H+](C)CCNC(=O)[C@@H]1C[C@H]1C(=O)OC ZINC001371926473 887677163 /nfs/dbraw/zinc/67/71/63/887677163.db2.gz GEACICXJXHACKC-NXEZZACHSA-N 1 2 285.344 -1.020 20 0 CAADLO CCNC(=O)C[N@@H+](C)CCNC(=O)[C@@H]1C[C@H]1C(=O)OC ZINC001371926473 887677170 /nfs/dbraw/zinc/67/71/70/887677170.db2.gz GEACICXJXHACKC-NXEZZACHSA-N 1 2 285.344 -1.020 20 0 CAADLO C[N@H+](CCNC(=O)Cn1ncnn1)CC(=O)NC(C)(C)C ZINC001371975145 887677589 /nfs/dbraw/zinc/67/75/89/887677589.db2.gz YYGRIRMQIKEZIN-UHFFFAOYSA-N 1 2 297.363 -1.364 20 0 CAADLO C[N@@H+](CCNC(=O)Cn1ncnn1)CC(=O)NC(C)(C)C ZINC001371975145 887677594 /nfs/dbraw/zinc/67/75/94/887677594.db2.gz YYGRIRMQIKEZIN-UHFFFAOYSA-N 1 2 297.363 -1.364 20 0 CAADLO COC[C@@H](C)C(=O)NCC[N@H+](C)Cc1nc(=O)n(C)[nH]1 ZINC001371926250 887677657 /nfs/dbraw/zinc/67/76/57/887677657.db2.gz MAIHQEYUMHDJFI-SECBINFHSA-N 1 2 285.348 -1.061 20 0 CAADLO COC[C@@H](C)C(=O)NCC[N@@H+](C)Cc1nc(=O)n(C)[nH]1 ZINC001371926250 887677661 /nfs/dbraw/zinc/67/76/61/887677661.db2.gz MAIHQEYUMHDJFI-SECBINFHSA-N 1 2 285.348 -1.061 20 0 CAADLO CC[C@@H](C)NC(=O)C[N@H+](C)CCNC(=O)Cn1ncnn1 ZINC001371973014 887677952 /nfs/dbraw/zinc/67/79/52/887677952.db2.gz RYIPOFKCPPZSCL-SNVBAGLBSA-N 1 2 297.363 -1.364 20 0 CAADLO CC[C@@H](C)NC(=O)C[N@@H+](C)CCNC(=O)Cn1ncnn1 ZINC001371973014 887677956 /nfs/dbraw/zinc/67/79/56/887677956.db2.gz RYIPOFKCPPZSCL-SNVBAGLBSA-N 1 2 297.363 -1.364 20 0 CAADLO CC(=O)N1CC(C(=O)NCC[N@@H+](C)CC(=O)N(C)C)C1 ZINC001371950365 887679354 /nfs/dbraw/zinc/67/93/54/887679354.db2.gz KVCGMXCMEIBQRZ-UHFFFAOYSA-N 1 2 284.360 -1.399 20 0 CAADLO CC(=O)N1CC(C(=O)NCC[N@H+](C)CC(=O)N(C)C)C1 ZINC001371950365 887679360 /nfs/dbraw/zinc/67/93/60/887679360.db2.gz KVCGMXCMEIBQRZ-UHFFFAOYSA-N 1 2 284.360 -1.399 20 0 CAADLO Cn1[nH]c(C[N@H+](C)CCNC(=O)c2csnn2)nc1=O ZINC001372060222 887681288 /nfs/dbraw/zinc/68/12/88/887681288.db2.gz SSSOOAGPEKHBFG-UHFFFAOYSA-N 1 2 297.344 -1.178 20 0 CAADLO Cn1[nH]c(C[N@@H+](C)CCNC(=O)c2csnn2)nc1=O ZINC001372060222 887681298 /nfs/dbraw/zinc/68/12/98/887681298.db2.gz SSSOOAGPEKHBFG-UHFFFAOYSA-N 1 2 297.344 -1.178 20 0 CAADLO C[N@H+](CCNC(=O)c1cccc2ncnn21)CC(N)=O ZINC001372023562 887681633 /nfs/dbraw/zinc/68/16/33/887681633.db2.gz BJRBUBDEEVRBDE-UHFFFAOYSA-N 1 2 276.300 -1.124 20 0 CAADLO C[N@@H+](CCNC(=O)c1cccc2ncnn21)CC(N)=O ZINC001372023562 887681638 /nfs/dbraw/zinc/68/16/38/887681638.db2.gz BJRBUBDEEVRBDE-UHFFFAOYSA-N 1 2 276.300 -1.124 20 0 CAADLO C[N@H+](CCNC(=O)Cc1ccc(C(N)=O)nc1)CC(N)=O ZINC001372010184 887682332 /nfs/dbraw/zinc/68/23/32/887682332.db2.gz WIWBGQQEQCUASW-UHFFFAOYSA-N 1 2 293.327 -1.744 20 0 CAADLO C[N@@H+](CCNC(=O)Cc1ccc(C(N)=O)nc1)CC(N)=O ZINC001372010184 887682340 /nfs/dbraw/zinc/68/23/40/887682340.db2.gz WIWBGQQEQCUASW-UHFFFAOYSA-N 1 2 293.327 -1.744 20 0 CAADLO Cn1ccnc1COCC(=O)NCC[N@H+](C)CC(N)=O ZINC001372005763 887682617 /nfs/dbraw/zinc/68/26/17/887682617.db2.gz PDYUEUMGSNHHLJ-UHFFFAOYSA-N 1 2 283.332 -1.530 20 0 CAADLO Cn1ccnc1COCC(=O)NCC[N@@H+](C)CC(N)=O ZINC001372005763 887682624 /nfs/dbraw/zinc/68/26/24/887682624.db2.gz PDYUEUMGSNHHLJ-UHFFFAOYSA-N 1 2 283.332 -1.530 20 0 CAADLO CNC(=O)C[N@H+](C)CCNC(=O)c1ccnc(OC)n1 ZINC001372026073 887683478 /nfs/dbraw/zinc/68/34/78/887683478.db2.gz CEYADDQFIRIFLV-UHFFFAOYSA-N 1 2 281.316 -1.107 20 0 CAADLO CNC(=O)C[N@@H+](C)CCNC(=O)c1ccnc(OC)n1 ZINC001372026073 887683501 /nfs/dbraw/zinc/68/35/01/887683501.db2.gz CEYADDQFIRIFLV-UHFFFAOYSA-N 1 2 281.316 -1.107 20 0 CAADLO CNC(=O)NCC(=O)NCC[N@H+](C)Cc1cncn1C ZINC001371992774 887683519 /nfs/dbraw/zinc/68/35/19/887683519.db2.gz AWSCQGMWEBIKMD-UHFFFAOYSA-N 1 2 282.348 -1.103 20 0 CAADLO CCN(C)C(=O)C[N@H+](C)CCNC(=O)[C@@H]1CNC(=O)N1 ZINC001372090254 887684746 /nfs/dbraw/zinc/68/47/46/887684746.db2.gz DXHKBEMBSINVBP-VIFPVBQESA-N 1 2 285.348 -1.806 20 0 CAADLO CCN(C)C(=O)C[N@@H+](C)CCNC(=O)[C@@H]1CNC(=O)N1 ZINC001372090254 887684755 /nfs/dbraw/zinc/68/47/55/887684755.db2.gz DXHKBEMBSINVBP-VIFPVBQESA-N 1 2 285.348 -1.806 20 0 CAADLO Cn1nnc2c1C[C@H](C(=O)NCC[N@H+](C)CC(N)=O)CC2 ZINC001372094570 887685749 /nfs/dbraw/zinc/68/57/49/887685749.db2.gz NEDMNFUHJLHHSR-SECBINFHSA-N 1 2 294.359 -1.547 20 0 CAADLO Cn1nnc2c1C[C@H](C(=O)NCC[N@@H+](C)CC(N)=O)CC2 ZINC001372094570 887685756 /nfs/dbraw/zinc/68/57/56/887685756.db2.gz NEDMNFUHJLHHSR-SECBINFHSA-N 1 2 294.359 -1.547 20 0 CAADLO CC(C)NC(=O)C[N@H+](C)CCNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001372107204 887686023 /nfs/dbraw/zinc/68/60/23/887686023.db2.gz GLVMXTNTOSVAPQ-ZJUUUORDSA-N 1 2 284.360 -1.320 20 0 CAADLO CC(C)NC(=O)C[N@@H+](C)CCNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001372107204 887686025 /nfs/dbraw/zinc/68/60/25/887686025.db2.gz GLVMXTNTOSVAPQ-ZJUUUORDSA-N 1 2 284.360 -1.320 20 0 CAADLO Cn1nnc(C(=O)NCC[N@H+](C)CC(=O)NC(C)(C)C)n1 ZINC001372124254 887686233 /nfs/dbraw/zinc/68/62/33/887686233.db2.gz BZSOPENCLZERSC-UHFFFAOYSA-N 1 2 297.363 -1.214 20 0 CAADLO Cn1nnc(C(=O)NCC[N@@H+](C)CC(=O)NC(C)(C)C)n1 ZINC001372124254 887686238 /nfs/dbraw/zinc/68/62/38/887686238.db2.gz BZSOPENCLZERSC-UHFFFAOYSA-N 1 2 297.363 -1.214 20 0 CAADLO C[N@H+](CCNC(=O)[C@H]1C[C@H]1C(N)=O)CC(=O)N1CCCC1 ZINC001372107142 887686369 /nfs/dbraw/zinc/68/63/69/887686369.db2.gz DVTYJRHAGAOTBV-MNOVXSKESA-N 1 2 296.371 -1.222 20 0 CAADLO C[N@@H+](CCNC(=O)[C@H]1C[C@H]1C(N)=O)CC(=O)N1CCCC1 ZINC001372107142 887686371 /nfs/dbraw/zinc/68/63/71/887686371.db2.gz DVTYJRHAGAOTBV-MNOVXSKESA-N 1 2 296.371 -1.222 20 0 CAADLO CCN(C)C(=O)C[N@H+](C)CCNC(=O)c1cnn(C)n1 ZINC001372156127 887687255 /nfs/dbraw/zinc/68/72/55/887687255.db2.gz JMBBLLBVNCVPRO-UHFFFAOYSA-N 1 2 282.348 -1.045 20 0 CAADLO CCN(C)C(=O)C[N@@H+](C)CCNC(=O)c1cnn(C)n1 ZINC001372156127 887687269 /nfs/dbraw/zinc/68/72/69/887687269.db2.gz JMBBLLBVNCVPRO-UHFFFAOYSA-N 1 2 282.348 -1.045 20 0 CAADLO Cn1c[nH+]cc1CNC(=O)N1CCN(CC(N)=O)C(=O)C1 ZINC001372186220 887687455 /nfs/dbraw/zinc/68/74/55/887687455.db2.gz HQJSYRRUPIDIEK-UHFFFAOYSA-N 1 2 294.315 -1.741 20 0 CAADLO CNC(=O)C[N@H+](C)CCNC(=O)COC[C@@H]1CCCO1 ZINC001372250288 887689040 /nfs/dbraw/zinc/68/90/40/887689040.db2.gz BYQNXEFDKPTADD-NSHDSACASA-N 1 2 287.360 -1.024 20 0 CAADLO CNC(=O)C[N@@H+](C)CCNC(=O)COC[C@@H]1CCCO1 ZINC001372250288 887689049 /nfs/dbraw/zinc/68/90/49/887689049.db2.gz BYQNXEFDKPTADD-NSHDSACASA-N 1 2 287.360 -1.024 20 0 CAADLO C[N@H+](CCNC(=O)c1ccc(C(N)=O)cn1)CC(N)=O ZINC001372255040 887692959 /nfs/dbraw/zinc/69/29/59/887692959.db2.gz KOHBVBBTWGUZMJ-UHFFFAOYSA-N 1 2 279.300 -1.673 20 0 CAADLO C[N@@H+](CCNC(=O)c1ccc(C(N)=O)cn1)CC(N)=O ZINC001372255040 887692963 /nfs/dbraw/zinc/69/29/63/887692963.db2.gz KOHBVBBTWGUZMJ-UHFFFAOYSA-N 1 2 279.300 -1.673 20 0 CAADLO CNS(=O)(=O)CC(=O)NC[C@H]1CCC[N@@H+]1CC(N)=O ZINC001372563405 887701551 /nfs/dbraw/zinc/70/15/51/887701551.db2.gz FQUGBRSTRJPIPW-MRVPVSSYSA-N 1 2 292.361 -2.399 20 0 CAADLO CNS(=O)(=O)CC(=O)NC[C@H]1CCC[N@H+]1CC(N)=O ZINC001372563405 887701560 /nfs/dbraw/zinc/70/15/60/887701560.db2.gz FQUGBRSTRJPIPW-MRVPVSSYSA-N 1 2 292.361 -2.399 20 0 CAADLO C[C@@H](CNC(=O)[C@H]1CCC(=O)N1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001372810977 887712571 /nfs/dbraw/zinc/71/25/71/887712571.db2.gz JADZJWCXPSXZAO-DTWKUNHWSA-N 1 2 293.327 -1.148 20 0 CAADLO C[C@@H](CNC(=O)[C@@H]1CCC(=O)N1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001373003654 887720122 /nfs/dbraw/zinc/72/01/22/887720122.db2.gz JADZJWCXPSXZAO-IUCAKERBSA-N 1 2 293.327 -1.148 20 0 CAADLO C[C@H](CNC(=O)Cn1cc[nH+]c1)NC(=O)[C@H]1COCCO1 ZINC001372962144 887721938 /nfs/dbraw/zinc/72/19/38/887721938.db2.gz ZRJQWANDASKHDC-GHMZBOCLSA-N 1 2 296.327 -1.081 20 0 CAADLO C[C@@H](CNC(=O)[C@H]1C[C@H]1C(N)=O)NC(=O)Cc1[nH]cc[nH+]1 ZINC001373123149 887728016 /nfs/dbraw/zinc/72/80/16/887728016.db2.gz YYAJNVHNSNNXFT-YIZRAAEISA-N 1 2 293.327 -1.306 20 0 CAADLO CNC(=O)NC(=O)CN1CC[NH+](CCN(C)C(C)=O)CC1 ZINC001373255204 887730079 /nfs/dbraw/zinc/73/00/79/887730079.db2.gz SVWMSARZSWQBIT-UHFFFAOYSA-N 1 2 299.375 -1.462 20 0 CAADLO CC(=O)NCC(=O)N[C@@H]1CCC[N@H+](CC(=O)NC(N)=O)C1 ZINC001373361983 887733317 /nfs/dbraw/zinc/73/33/17/887733317.db2.gz OVBPVHCJKDNYCX-SECBINFHSA-N 1 2 299.331 -2.102 20 0 CAADLO CC(=O)NCC(=O)N[C@@H]1CCC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001373361983 887733328 /nfs/dbraw/zinc/73/33/28/887733328.db2.gz OVBPVHCJKDNYCX-SECBINFHSA-N 1 2 299.331 -2.102 20 0 CAADLO NC(=O)NC(=O)C[N@@H+]1CCC[C@@H](NC(=O)c2ccn[nH]2)C1 ZINC001373365230 887735521 /nfs/dbraw/zinc/73/55/21/887735521.db2.gz AHDHJYKJCAIPAP-MRVPVSSYSA-N 1 2 294.315 -1.201 20 0 CAADLO NC(=O)NC(=O)C[N@H+]1CCC[C@@H](NC(=O)c2ccn[nH]2)C1 ZINC001373365230 887735528 /nfs/dbraw/zinc/73/55/28/887735528.db2.gz AHDHJYKJCAIPAP-MRVPVSSYSA-N 1 2 294.315 -1.201 20 0 CAADLO C[C@H](CC(N)=O)C(=O)N[C@@H]1CCC[N@H+](CC(N)=O)C1 ZINC001373377551 887736096 /nfs/dbraw/zinc/73/60/96/887736096.db2.gz UQJXBIUJEGROOZ-RKDXNWHRSA-N 1 2 270.333 -1.436 20 0 CAADLO C[C@H](CC(N)=O)C(=O)N[C@@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001373377551 887736111 /nfs/dbraw/zinc/73/61/11/887736111.db2.gz UQJXBIUJEGROOZ-RKDXNWHRSA-N 1 2 270.333 -1.436 20 0 CAADLO CNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)CN(C)C(C)=O)C1 ZINC001373365267 887736321 /nfs/dbraw/zinc/73/63/21/887736321.db2.gz CALBORGOSIQVDU-LLVKDONJSA-N 1 2 284.360 -1.209 20 0 CAADLO CNC(=O)C[N@H+]1CCC[C@@H](NC(=O)CN(C)C(C)=O)C1 ZINC001373365267 887736324 /nfs/dbraw/zinc/73/63/24/887736324.db2.gz CALBORGOSIQVDU-LLVKDONJSA-N 1 2 284.360 -1.209 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(NC(=O)CN(C)C(=O)C2CC2)C1 ZINC001373432313 887738499 /nfs/dbraw/zinc/73/84/99/887738499.db2.gz OYHUTQVAYPFGQM-LBPRGKRZSA-N 1 2 299.371 -1.338 20 0 CAADLO CN(CC(=O)NC1C[NH+](CCCO)C1)S(C)(=O)=O ZINC001373431410 887738961 /nfs/dbraw/zinc/73/89/61/887738961.db2.gz JRHYFHOVPLUUFK-UHFFFAOYSA-N 1 2 279.362 -1.939 20 0 CAADLO COC[C@H](O)C[NH+]1CC(NC(=O)[C@@]2(C)CCNC(=O)C2)C1 ZINC001373434078 887739552 /nfs/dbraw/zinc/73/95/52/887739552.db2.gz NUIMDWNTRQHCMF-RISCZKNCSA-N 1 2 299.371 -1.290 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(NC(=O)c2[nH]c(=O)[nH]c2C)C1 ZINC001373433797 887739634 /nfs/dbraw/zinc/73/96/34/887739634.db2.gz LPBSPBIGFMGHQG-VIFPVBQESA-N 1 2 284.316 -1.155 20 0 CAADLO CCC(=O)NCC(=O)NC1C[NH+](C[C@H](O)COC)C1 ZINC001373419149 887739831 /nfs/dbraw/zinc/73/98/31/887739831.db2.gz XUVUOBFOKKDKKY-JTQLQIEISA-N 1 2 273.333 -1.680 20 0 CAADLO O=C(CNC(=O)N1CCCC1)NC1C[NH+](CCCO)C1 ZINC001373425246 887739886 /nfs/dbraw/zinc/73/98/86/887739886.db2.gz DCIRCSVOKHCRPD-UHFFFAOYSA-N 1 2 284.360 -1.025 20 0 CAADLO CN(CCNC(=O)CCNC(N)=O)C(=O)Cn1cc[nH+]c1 ZINC001373431648 887740021 /nfs/dbraw/zinc/74/00/21/887740021.db2.gz IZCFNOBYDFZGQP-UHFFFAOYSA-N 1 2 296.331 -1.484 20 0 CAADLO COC[C@@H](O)CN1CC(NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001373423107 887740828 /nfs/dbraw/zinc/74/08/28/887740828.db2.gz QVYIYPGAQBATSC-NWDGAFQWSA-N 1 2 287.360 -1.875 20 0 CAADLO COC[C@@H](O)CN1CC(NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001373423107 887740843 /nfs/dbraw/zinc/74/08/43/887740843.db2.gz QVYIYPGAQBATSC-NWDGAFQWSA-N 1 2 287.360 -1.875 20 0 CAADLO COC[C@@H](O)CN1CC(NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001373423109 887740934 /nfs/dbraw/zinc/74/09/34/887740934.db2.gz QVYIYPGAQBATSC-RYUDHWBXSA-N 1 2 287.360 -1.875 20 0 CAADLO COC[C@@H](O)CN1CC(NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001373423109 887740950 /nfs/dbraw/zinc/74/09/50/887740950.db2.gz QVYIYPGAQBATSC-RYUDHWBXSA-N 1 2 287.360 -1.875 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(NC(=O)[C@]2(C)CCC(=O)NC2)C1 ZINC001373447302 887742840 /nfs/dbraw/zinc/74/28/40/887742840.db2.gz KPFFVOVYXGFVJG-SMDDNHRTSA-N 1 2 299.371 -1.290 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(NC(=O)[C@@H](C)CC(N)=O)C1 ZINC001373447677 887743322 /nfs/dbraw/zinc/74/33/22/887743322.db2.gz BNEJFRWIDHZKSH-WPRPVWTQSA-N 1 2 273.333 -1.694 20 0 CAADLO C[C@H](NC(N)=O)C(=O)NCC1C[NH+](CC(=O)NC2CC2)C1 ZINC001373508472 887744971 /nfs/dbraw/zinc/74/49/71/887744971.db2.gz IACOIXADGVRSRE-QMMMGPOBSA-N 1 2 297.359 -1.630 20 0 CAADLO C[C@H](CC(=O)NCC1C[NH+]([C@H](C)C(N)=O)C1)NC(N)=O ZINC001373508414 887745098 /nfs/dbraw/zinc/74/50/98/887745098.db2.gz OOYXJLHQEVNTQD-HTQZYQBOSA-N 1 2 285.348 -1.645 20 0 CAADLO CNC(=O)NCC(=O)NCC1C[NH+](CC(=O)N2CCC2)C1 ZINC001373509900 887745183 /nfs/dbraw/zinc/74/51/83/887745183.db2.gz NTJVANSKTYTZMG-UHFFFAOYSA-N 1 2 297.359 -1.804 20 0 CAADLO C[C@H](C(=O)NC(N)=O)[NH+]1CC(CNC(=O)[C@@H]2CCCO2)C1 ZINC001373498379 887745647 /nfs/dbraw/zinc/74/56/47/887745647.db2.gz TXMIVTVPAUYOEJ-SCZZXKLOSA-N 1 2 298.343 -1.203 20 0 CAADLO CCOCC(=O)NCC1C[NH+](CC(=O)NC(N)=O)C1 ZINC001373491853 887745815 /nfs/dbraw/zinc/74/58/15/887745815.db2.gz DVGDKKJOGUYEHO-UHFFFAOYSA-N 1 2 272.305 -1.734 20 0 CAADLO COCCC(=O)NCC1C[NH+](CCNS(C)(=O)=O)C1 ZINC001373488195 887746050 /nfs/dbraw/zinc/74/60/50/887746050.db2.gz KTMWFXZZXUBZGK-UHFFFAOYSA-N 1 2 293.389 -1.380 20 0 CAADLO CC(=O)N(C)CC(=O)NCC1C[NH+](CC(=O)NC(N)=O)C1 ZINC001373496283 887747056 /nfs/dbraw/zinc/74/70/56/887747056.db2.gz PLDOLKGLCDDVRT-UHFFFAOYSA-N 1 2 299.331 -2.292 20 0 CAADLO CS(=O)(=O)NCCC(=O)NCC1C[NH+](CC(N)=O)C1 ZINC001373508741 887746958 /nfs/dbraw/zinc/74/69/58/887746958.db2.gz FYARVWIKGNUGGY-UHFFFAOYSA-N 1 2 292.361 -2.541 20 0 CAADLO CS(=O)(=O)NCCC(=O)NCC1C[NH+](CCF)C1 ZINC001373508871 887746996 /nfs/dbraw/zinc/74/69/96/887746996.db2.gz HZTQJEGPNDSUQW-UHFFFAOYSA-N 1 2 281.353 -1.057 20 0 CAADLO C[C@@H](C(N)=O)[NH+]1CC(CNC(=O)Cc2cnn(C)c2)C1 ZINC001373501865 887747456 /nfs/dbraw/zinc/74/74/56/887747456.db2.gz GNKKVLBGJHMGSQ-VIFPVBQESA-N 1 2 279.344 -1.116 20 0 CAADLO COC[C@H](O)C[NH+]1CC(NC(=O)c2cn(C)c(=O)n2C)C1 ZINC001373487461 887747502 /nfs/dbraw/zinc/74/75/02/887747502.db2.gz DQTHYYZPKUAGFB-SNVBAGLBSA-N 1 2 298.343 -1.855 20 0 CAADLO O=C(Cc1cc[nH]n1)NCC1C[NH+]([C@@H]2CCNC2=O)C1 ZINC001373495291 887747727 /nfs/dbraw/zinc/74/77/27/887747727.db2.gz BPGYUKMXBHXOIB-LLVKDONJSA-N 1 2 277.328 -1.111 20 0 CAADLO CCCNC(=O)C[NH+]1CC(CNC(=O)Cn2cnnn2)C1 ZINC001373497024 887747902 /nfs/dbraw/zinc/74/79/02/887747902.db2.gz ONOFBQKJHDWDGH-UHFFFAOYSA-N 1 2 295.347 -1.753 20 0 CAADLO C[C@@H](C(N)=O)[NH+]1CC(CNC(=O)C[C@H]2CCNC2=O)C1 ZINC001373513876 887747952 /nfs/dbraw/zinc/74/79/52/887747952.db2.gz OMTLOKXICXPKJU-WCBMZHEXSA-N 1 2 282.344 -1.566 20 0 CAADLO CC(=O)NCC(=O)NCC1C[NH+](CC(=O)NC2CC2)C1 ZINC001373491848 887747971 /nfs/dbraw/zinc/74/79/71/887747971.db2.gz DSGPRDAYARTMKC-UHFFFAOYSA-N 1 2 282.344 -1.551 20 0 CAADLO C[C@H](C(N)=O)[NH+]1CC(CNC(=O)CO[C@H]2CCOC2)C1 ZINC001373509483 887748041 /nfs/dbraw/zinc/74/80/41/887748041.db2.gz ZFPROJUYCPXQAB-KOLCDFICSA-N 1 2 285.344 -1.286 20 0 CAADLO CC(=O)N[C@H](C)C(=O)NCC1C[NH+](CC(=O)NC(N)=O)C1 ZINC001373497719 887748237 /nfs/dbraw/zinc/74/82/37/887748237.db2.gz QFEZXSKPEGDJAL-SSDOTTSWSA-N 1 2 299.331 -2.246 20 0 CAADLO CS(=O)(=O)C1(C(=O)NCC2C[NH+](CCO)C2)CCC1 ZINC001373545082 887749690 /nfs/dbraw/zinc/74/96/90/887749690.db2.gz SYXBHJYADSSWAV-UHFFFAOYSA-N 1 2 290.385 -1.006 20 0 CAADLO Cn1cc(CCC(=O)NCC2C[NH+](CC(N)=O)C2)nn1 ZINC001373558947 887750774 /nfs/dbraw/zinc/75/07/74/887750774.db2.gz IIWIQDHCWWRFQN-UHFFFAOYSA-N 1 2 280.332 -1.719 20 0 CAADLO CNC(=O)C[NH+]1CC(CNC(=O)CN2CCCNC2=O)C1 ZINC001373520121 887751089 /nfs/dbraw/zinc/75/10/89/887751089.db2.gz XMHNBWUMGQYZJN-UHFFFAOYSA-N 1 2 297.359 -1.804 20 0 CAADLO O=C(C[C@@H]1CCS(=O)(=O)C1)NCC1C[NH+](CCO)C1 ZINC001373519462 887751937 /nfs/dbraw/zinc/75/19/37/887751937.db2.gz SDTBZROOLRSHDR-JTQLQIEISA-N 1 2 290.385 -1.149 20 0 CAADLO CNC(=O)NCC(=O)N(C)CCNC(=O)Cn1cc[nH+]c1 ZINC001373535018 887751522 /nfs/dbraw/zinc/75/15/22/887751522.db2.gz VWUZIPHYOTXBHK-UHFFFAOYSA-N 1 2 296.331 -1.613 20 0 CAADLO C[C@H]1C[C@H](C(=O)NCC2C[NH+](CC(=O)NC(N)=O)C2)CO1 ZINC001373519145 887752216 /nfs/dbraw/zinc/75/22/16/887752216.db2.gz LBYVWYYRYZEEGX-WPRPVWTQSA-N 1 2 298.343 -1.346 20 0 CAADLO NC(=O)NC(=O)C[N@@H+]1CC[C@H](NC(=O)C[C@H]2CCCO2)C1 ZINC001373588367 887752326 /nfs/dbraw/zinc/75/23/26/887752326.db2.gz RHQKKXUTGRFMPJ-VHSXEESVSA-N 1 2 298.343 -1.059 20 0 CAADLO NC(=O)NC(=O)C[N@H+]1CC[C@H](NC(=O)C[C@H]2CCCO2)C1 ZINC001373588367 887752335 /nfs/dbraw/zinc/75/23/35/887752335.db2.gz RHQKKXUTGRFMPJ-VHSXEESVSA-N 1 2 298.343 -1.059 20 0 CAADLO CCC(=O)N[C@H](C)C(=O)N[C@H]1CC[N@H+](CC(=O)NC)C1 ZINC001373593022 887752486 /nfs/dbraw/zinc/75/24/86/887752486.db2.gz SQGMJCZRQMYZDT-ZJUUUORDSA-N 1 2 284.360 -1.162 20 0 CAADLO CCC(=O)N[C@H](C)C(=O)N[C@H]1CC[N@@H+](CC(=O)NC)C1 ZINC001373593022 887752501 /nfs/dbraw/zinc/75/25/01/887752501.db2.gz SQGMJCZRQMYZDT-ZJUUUORDSA-N 1 2 284.360 -1.162 20 0 CAADLO NC(=O)NC(=O)C[N@@H+]1CC[C@H](NC(=O)Cc2cnoc2)C1 ZINC001373604328 887754673 /nfs/dbraw/zinc/75/46/73/887754673.db2.gz LBONIWGMXMGMIJ-VIFPVBQESA-N 1 2 295.299 -1.398 20 0 CAADLO NC(=O)NC(=O)C[N@H+]1CC[C@H](NC(=O)Cc2cnoc2)C1 ZINC001373604328 887754687 /nfs/dbraw/zinc/75/46/87/887754687.db2.gz LBONIWGMXMGMIJ-VIFPVBQESA-N 1 2 295.299 -1.398 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H](COC)OC)C1 ZINC001373602356 887755169 /nfs/dbraw/zinc/75/51/69/887755169.db2.gz BBVYSGIITDBSTE-UWVGGRQHSA-N 1 2 273.333 -1.416 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@H](COC)OC)C1 ZINC001373602356 887755184 /nfs/dbraw/zinc/75/51/84/887755184.db2.gz BBVYSGIITDBSTE-UWVGGRQHSA-N 1 2 273.333 -1.416 20 0 CAADLO CC(=O)NCC(=O)N(C)CCNC(=O)Cc1[nH]c[nH+]c1C ZINC001373598240 887758053 /nfs/dbraw/zinc/75/80/53/887758053.db2.gz FXWLUDTUPVWABF-UHFFFAOYSA-N 1 2 295.343 -1.029 20 0 CAADLO CC(=O)NCC(C)(C)C(=O)N[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001373609079 887758269 /nfs/dbraw/zinc/75/82/69/887758269.db2.gz BXAJYYRUSINGGJ-JTQLQIEISA-N 1 2 284.360 -1.176 20 0 CAADLO CC(=O)NCC(C)(C)C(=O)N[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001373609079 887758279 /nfs/dbraw/zinc/75/82/79/887758279.db2.gz BXAJYYRUSINGGJ-JTQLQIEISA-N 1 2 284.360 -1.176 20 0 CAADLO COCC1(C(=O)N[C@@H]2CC[N@H+](CC(=O)NC(N)=O)C2)CC1 ZINC001373633952 887758411 /nfs/dbraw/zinc/75/84/11/887758411.db2.gz BTZOLEMLKPQRNM-SECBINFHSA-N 1 2 298.343 -1.202 20 0 CAADLO COCC1(C(=O)N[C@@H]2CC[N@@H+](CC(=O)NC(N)=O)C2)CC1 ZINC001373633952 887758422 /nfs/dbraw/zinc/75/84/22/887758422.db2.gz BTZOLEMLKPQRNM-SECBINFHSA-N 1 2 298.343 -1.202 20 0 CAADLO NC(=O)NC(=O)C[N@@H+]1CC[C@@H](NC(=O)C2=COCCO2)C1 ZINC001373617732 887758591 /nfs/dbraw/zinc/75/85/91/887758591.db2.gz WKPSFLNYIHVGPE-MRVPVSSYSA-N 1 2 298.299 -1.740 20 0 CAADLO NC(=O)NC(=O)C[N@H+]1CC[C@@H](NC(=O)C2=COCCO2)C1 ZINC001373617732 887758603 /nfs/dbraw/zinc/75/86/03/887758603.db2.gz WKPSFLNYIHVGPE-MRVPVSSYSA-N 1 2 298.299 -1.740 20 0 CAADLO CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCC(=O)N2C)C1 ZINC001373636686 887760383 /nfs/dbraw/zinc/76/03/83/887760383.db2.gz MNTOQUAXDOKEFG-MNOVXSKESA-N 1 2 296.371 -1.066 20 0 CAADLO CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCC(=O)N2C)C1 ZINC001373636686 887760392 /nfs/dbraw/zinc/76/03/92/887760392.db2.gz MNTOQUAXDOKEFG-MNOVXSKESA-N 1 2 296.371 -1.066 20 0 CAADLO CN(C(=O)CO[C@H]1CCOC1)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001373663302 887761884 /nfs/dbraw/zinc/76/18/84/887761884.db2.gz GPZNVZUZHYVPIL-QWRGUYRKSA-N 1 2 285.344 -1.190 20 0 CAADLO CN(C(=O)CO[C@H]1CCOC1)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001373663302 887761897 /nfs/dbraw/zinc/76/18/97/887761897.db2.gz GPZNVZUZHYVPIL-QWRGUYRKSA-N 1 2 285.344 -1.190 20 0 CAADLO C[C@H](CC(N)=O)C(=O)N(C)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001373678835 887762605 /nfs/dbraw/zinc/76/26/05/887762605.db2.gz RIMHCYPAQYWDCB-BDAKNGLRSA-N 1 2 270.333 -1.484 20 0 CAADLO C[C@H](CC(N)=O)C(=O)N(C)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001373678835 887762616 /nfs/dbraw/zinc/76/26/16/887762616.db2.gz RIMHCYPAQYWDCB-BDAKNGLRSA-N 1 2 270.333 -1.484 20 0 CAADLO CN(CCNC(=O)[C@H]1C[C@H]1C(N)=O)C(=O)Cc1c[nH+]c[nH]1 ZINC001373700998 887766839 /nfs/dbraw/zinc/76/68/39/887766839.db2.gz FCCUOFMIWMPFGI-ZJUUUORDSA-N 1 2 293.327 -1.352 20 0 CAADLO CC[C@H](CNC(=O)CCNC(N)=O)[NH2+]Cc1nnn(C)n1 ZINC001373824115 887769939 /nfs/dbraw/zinc/76/99/39/887769939.db2.gz CKXJWKHPEBWUKB-MRVPVSSYSA-N 1 2 298.351 -1.747 20 0 CAADLO COC[C@@H](O)C[N@@H+]1CCO[C@H](CNC(=O)c2ncc[nH]2)C1 ZINC001374127436 887775956 /nfs/dbraw/zinc/77/59/56/887775956.db2.gz YZXFFPYBLPZYDX-WDEREUQCSA-N 1 2 298.343 -1.152 20 0 CAADLO COC[C@@H](O)C[N@H+]1CCO[C@H](CNC(=O)c2ncc[nH]2)C1 ZINC001374127436 887775975 /nfs/dbraw/zinc/77/59/75/887775975.db2.gz YZXFFPYBLPZYDX-WDEREUQCSA-N 1 2 298.343 -1.152 20 0 CAADLO O=C(Cn1ncnn1)N1CC[NH+](CCn2cccn2)CC1 ZINC001374079390 887776279 /nfs/dbraw/zinc/77/62/79/887776279.db2.gz YFUXDCDRITWPBF-UHFFFAOYSA-N 1 2 290.331 -1.286 20 0 CAADLO COC[C@H](O)C[N@@H+]1CCO[C@H](CNC(=O)c2cn[nH]n2)C1 ZINC001374132175 887776471 /nfs/dbraw/zinc/77/64/71/887776471.db2.gz PSHJOMHAYZJHCQ-NXEZZACHSA-N 1 2 299.331 -1.757 20 0 CAADLO COC[C@H](O)C[N@H+]1CCO[C@H](CNC(=O)c2cn[nH]n2)C1 ZINC001374132175 887776484 /nfs/dbraw/zinc/77/64/84/887776484.db2.gz PSHJOMHAYZJHCQ-NXEZZACHSA-N 1 2 299.331 -1.757 20 0 CAADLO NC(=O)CN1CCO[C@@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001374136578 887776663 /nfs/dbraw/zinc/77/66/63/887776663.db2.gz RZDVVUDPLULKDB-VIFPVBQESA-N 1 2 281.316 -1.746 20 0 CAADLO COCC[N@@H+]1CCO[C@@H](CNC(=O)Cn2cncn2)C1 ZINC001374144401 887776844 /nfs/dbraw/zinc/77/68/44/887776844.db2.gz WAMXKAWQYOKSOS-NSHDSACASA-N 1 2 283.332 -1.259 20 0 CAADLO COCC[N@H+]1CCO[C@@H](CNC(=O)Cn2cncn2)C1 ZINC001374144401 887776850 /nfs/dbraw/zinc/77/68/50/887776850.db2.gz WAMXKAWQYOKSOS-NSHDSACASA-N 1 2 283.332 -1.259 20 0 CAADLO O=C(CCc1nnc[nH]1)NC[C@@H]1C[N@H+](CCO)CCO1 ZINC001374121608 887777022 /nfs/dbraw/zinc/77/70/22/887777022.db2.gz GSDQIQFLGFZOQR-SNVBAGLBSA-N 1 2 283.332 -1.453 20 0 CAADLO O=C(CCc1nnc[nH]1)NC[C@@H]1C[N@@H+](CCO)CCO1 ZINC001374121608 887777029 /nfs/dbraw/zinc/77/70/29/887777029.db2.gz GSDQIQFLGFZOQR-SNVBAGLBSA-N 1 2 283.332 -1.453 20 0 CAADLO COCC[N@@H+]1CCO[C@H](CNC(=O)Cn2cncn2)C1 ZINC001374144398 887779129 /nfs/dbraw/zinc/77/91/29/887779129.db2.gz WAMXKAWQYOKSOS-LLVKDONJSA-N 1 2 283.332 -1.259 20 0 CAADLO COCC[N@H+]1CCO[C@H](CNC(=O)Cn2cncn2)C1 ZINC001374144398 887779141 /nfs/dbraw/zinc/77/91/41/887779141.db2.gz WAMXKAWQYOKSOS-LLVKDONJSA-N 1 2 283.332 -1.259 20 0 CAADLO CC(=O)N(C)CC[NH+]1CCN(C(=O)[C@H]2CNC(=O)N2)CC1 ZINC001374435184 887784559 /nfs/dbraw/zinc/78/45/59/887784559.db2.gz HHUDTRIXINTWPT-LLVKDONJSA-N 1 2 297.359 -1.710 20 0 CAADLO CNC(=O)C[N@H+](C)CCN(C)C(=O)CNC(=O)OC ZINC001374470903 887786324 /nfs/dbraw/zinc/78/63/24/887786324.db2.gz OWYPIAPKADYZEH-UHFFFAOYSA-N 1 2 274.321 -1.521 20 0 CAADLO CNC(=O)C[N@@H+](C)CCN(C)C(=O)CNC(=O)OC ZINC001374470903 887786335 /nfs/dbraw/zinc/78/63/35/887786335.db2.gz OWYPIAPKADYZEH-UHFFFAOYSA-N 1 2 274.321 -1.521 20 0 CAADLO CN(CC[N@H+](C)Cc1cnnn1C)C(=O)[C@@H]1COC(=O)N1 ZINC001374484514 887786396 /nfs/dbraw/zinc/78/63/96/887786396.db2.gz OTMPBDSLOJXSAM-JTQLQIEISA-N 1 2 296.331 -1.186 20 0 CAADLO CN(CC[N@@H+](C)Cc1cnnn1C)C(=O)[C@@H]1COC(=O)N1 ZINC001374484514 887786406 /nfs/dbraw/zinc/78/64/06/887786406.db2.gz OTMPBDSLOJXSAM-JTQLQIEISA-N 1 2 296.331 -1.186 20 0 CAADLO CNC(=O)NC(=O)C[N@H+](C)CCN(C)C(=O)c1cc[nH]n1 ZINC001374469399 887787364 /nfs/dbraw/zinc/78/73/64/887787364.db2.gz WOCAAUOCTIKUEO-UHFFFAOYSA-N 1 2 296.331 -1.131 20 0 CAADLO CNC(=O)NC(=O)C[N@@H+](C)CCN(C)C(=O)c1cc[nH]n1 ZINC001374469399 887787372 /nfs/dbraw/zinc/78/73/72/887787372.db2.gz WOCAAUOCTIKUEO-UHFFFAOYSA-N 1 2 296.331 -1.131 20 0 CAADLO CNC(=O)NC(=O)C[N@H+](C)CCN(C)C(=O)c1ccn[nH]1 ZINC001374469399 887787384 /nfs/dbraw/zinc/78/73/84/887787384.db2.gz WOCAAUOCTIKUEO-UHFFFAOYSA-N 1 2 296.331 -1.131 20 0 CAADLO CNC(=O)NC(=O)C[N@@H+](C)CCN(C)C(=O)c1ccn[nH]1 ZINC001374469399 887787398 /nfs/dbraw/zinc/78/73/98/887787398.db2.gz WOCAAUOCTIKUEO-UHFFFAOYSA-N 1 2 296.331 -1.131 20 0 CAADLO Cc1nc[nH]c(=O)c1C(=O)N(C)CC[N@H+](C)CC(N)=O ZINC001374527436 887790550 /nfs/dbraw/zinc/79/05/50/887790550.db2.gz IYOWPHDIURJNSV-UHFFFAOYSA-N 1 2 281.316 -1.020 20 0 CAADLO Cc1nc[nH]c(=O)c1C(=O)N(C)CC[N@@H+](C)CC(N)=O ZINC001374527436 887790560 /nfs/dbraw/zinc/79/05/60/887790560.db2.gz IYOWPHDIURJNSV-UHFFFAOYSA-N 1 2 281.316 -1.020 20 0 CAADLO CN(CC[N@H+](C)Cc1ccn(C)n1)C(=O)Cn1ncnn1 ZINC001374489431 887791890 /nfs/dbraw/zinc/79/18/90/887791890.db2.gz DDSJTULNPBJSFZ-UHFFFAOYSA-N 1 2 292.347 -1.003 20 0 CAADLO CN(CC[N@@H+](C)Cc1ccn(C)n1)C(=O)Cn1ncnn1 ZINC001374489431 887791912 /nfs/dbraw/zinc/79/19/12/887791912.db2.gz DDSJTULNPBJSFZ-UHFFFAOYSA-N 1 2 292.347 -1.003 20 0 CAADLO CC(=O)NCC(=O)NC[C@H](O)C[NH2+][C@@H](C)c1nnc(C)o1 ZINC001374571935 887796168 /nfs/dbraw/zinc/79/61/68/887796168.db2.gz JKYISYSBJNHFMH-OIBJUYFYSA-N 1 2 299.331 -1.358 20 0 CAADLO CC(=O)NCC(=O)NC[C@@H](O)C[NH2+][C@H](C)c1nnc(C)o1 ZINC001374571936 887797134 /nfs/dbraw/zinc/79/71/34/887797134.db2.gz JKYISYSBJNHFMH-XCBNKYQSSA-N 1 2 299.331 -1.358 20 0 CAADLO CO[C@@H](C)C(=O)NC[C@@H](O)C[NH2+]Cc1nnc(C)o1 ZINC001374582678 887799124 /nfs/dbraw/zinc/79/91/24/887799124.db2.gz IMEJHGJFGIKSEM-CBAPKCEASA-N 1 2 272.305 -1.020 20 0 CAADLO Cn1cc(C(=O)NC[C@@H](O)C[NH2+]Cc2cnsn2)nn1 ZINC001374603874 887812328 /nfs/dbraw/zinc/81/23/28/887812328.db2.gz PXMYHXSFNDIOHR-QMMMGPOBSA-N 1 2 297.344 -1.453 20 0 CAADLO Cc1noc(C[NH2+]C[C@H](O)CNC(=O)c2cnnn2C)n1 ZINC001374602637 887813782 /nfs/dbraw/zinc/81/37/82/887813782.db2.gz MYWVWAKLHNDBKZ-QMMMGPOBSA-N 1 2 295.303 -1.613 20 0 CAADLO Cc1nnc(C[NH2+]C[C@@H](O)CNC(=O)c2cncn2C)o1 ZINC001374630417 887815609 /nfs/dbraw/zinc/81/56/09/887815609.db2.gz QRVOATSWFGELFT-SECBINFHSA-N 1 2 294.315 -1.008 20 0 CAADLO C[C@@H]([NH2+]C[C@H](O)CNC(=O)c1cn[nH]n1)c1nncn1C ZINC001374622003 887817290 /nfs/dbraw/zinc/81/72/90/887817290.db2.gz DUOAVZMGQVIDIN-SFYZADRCSA-N 1 2 294.319 -1.625 20 0 CAADLO C[C@@H]([NH2+]C[C@H](O)CNC(=O)c1cnn[nH]1)c1nncn1C ZINC001374622003 887817293 /nfs/dbraw/zinc/81/72/93/887817293.db2.gz DUOAVZMGQVIDIN-SFYZADRCSA-N 1 2 294.319 -1.625 20 0 CAADLO C[C@@H]([NH2+]C[C@@H](O)CNC(=O)c1cn[nH]n1)c1nncn1C ZINC001374622001 887817425 /nfs/dbraw/zinc/81/74/25/887817425.db2.gz DUOAVZMGQVIDIN-HTQZYQBOSA-N 1 2 294.319 -1.625 20 0 CAADLO C[C@@H]([NH2+]C[C@@H](O)CNC(=O)c1cnn[nH]1)c1nncn1C ZINC001374622001 887817429 /nfs/dbraw/zinc/81/74/29/887817429.db2.gz DUOAVZMGQVIDIN-HTQZYQBOSA-N 1 2 294.319 -1.625 20 0 CAADLO O=C(NC[C@@H](O)C[NH2+]Cc1cnns1)c1ncn[nH]1 ZINC001374655874 887822859 /nfs/dbraw/zinc/82/28/59/887822859.db2.gz FKFUEPHOFCOEGK-LURJTMIESA-N 1 2 283.317 -1.463 20 0 CAADLO Cc1nc(C[NH2+]C[C@H](O)CNC(=O)c2nnc[nH]2)co1 ZINC001374655393 887823907 /nfs/dbraw/zinc/82/39/07/887823907.db2.gz DIVQFWCGHQOQSD-VIFPVBQESA-N 1 2 280.288 -1.018 20 0 CAADLO Cc1nc(C[NH2+]C[C@@H](O)CNC(=O)c2nnc[nH]2)co1 ZINC001374655390 887824606 /nfs/dbraw/zinc/82/46/06/887824606.db2.gz DIVQFWCGHQOQSD-SECBINFHSA-N 1 2 280.288 -1.018 20 0 CAADLO O=C(CCc1cn[nH]n1)NC[C@@H](O)C[NH2+]Cc1ccon1 ZINC001374652926 887824928 /nfs/dbraw/zinc/82/49/28/887824928.db2.gz PHMHUUYRIBSDSS-NSHDSACASA-N 1 2 294.315 -1.008 20 0 CAADLO O=C(CCc1c[nH]nn1)NC[C@@H](O)C[NH2+]Cc1ccon1 ZINC001374652926 887824934 /nfs/dbraw/zinc/82/49/34/887824934.db2.gz PHMHUUYRIBSDSS-NSHDSACASA-N 1 2 294.315 -1.008 20 0 CAADLO Cc1ccnc(C[NH2+]C[C@@H](O)CNC(=O)c2nnc[nH]2)n1 ZINC001374659358 887826186 /nfs/dbraw/zinc/82/61/86/887826186.db2.gz OPIRUERNZPSYQS-SECBINFHSA-N 1 2 291.315 -1.216 20 0 CAADLO CNC(=O)NCC(=O)NC1CN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001374672205 887827442 /nfs/dbraw/zinc/82/74/42/887827442.db2.gz OEJCJYUTLZYRRH-UHFFFAOYSA-N 1 2 294.315 -1.792 20 0 CAADLO C[C@@H](CC(N)=O)C(=O)N1CC(NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001374744958 887841656 /nfs/dbraw/zinc/84/16/56/887841656.db2.gz MXXBETANDHKHAK-QMMMGPOBSA-N 1 2 293.327 -1.209 20 0 CAADLO C[C@H](C[NH2+]Cc1n[nH]c(=O)[n-]1)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001374746842 887842062 /nfs/dbraw/zinc/84/20/62/887842062.db2.gz XREIVJYZUVBCBW-BDAKNGLRSA-N 1 2 298.347 -1.565 20 0 CAADLO C[C@H](C[NH2+]Cc1n[nH]c(=O)[n-]1)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001374746842 887842075 /nfs/dbraw/zinc/84/20/75/887842075.db2.gz XREIVJYZUVBCBW-BDAKNGLRSA-N 1 2 298.347 -1.565 20 0 CAADLO C[C@@H]([NH2+]C[C@H](C)NC(=O)c1cn[nH]n1)c1nnnn1C ZINC001374906308 887852187 /nfs/dbraw/zinc/85/21/87/887852187.db2.gz NFCUDEXLOMJKOU-NKWVEPMBSA-N 1 2 279.308 -1.203 20 0 CAADLO C[C@@H]([NH2+]C[C@H](C)NC(=O)c1cnn[nH]1)c1nnnn1C ZINC001374906308 887852198 /nfs/dbraw/zinc/85/21/98/887852198.db2.gz NFCUDEXLOMJKOU-NKWVEPMBSA-N 1 2 279.308 -1.203 20 0 CAADLO CC(=O)NCC(=O)N[C@@H](C)C[N@H+](C)Cc1nc(=O)n(C)[nH]1 ZINC001374989970 887856543 /nfs/dbraw/zinc/85/65/43/887856543.db2.gz GQFGAZNKNHBKNV-QMMMGPOBSA-N 1 2 298.347 -1.819 20 0 CAADLO CC(=O)NCC(=O)N[C@@H](C)C[N@@H+](C)Cc1nc(=O)n(C)[nH]1 ZINC001374989970 887856561 /nfs/dbraw/zinc/85/65/61/887856561.db2.gz GQFGAZNKNHBKNV-QMMMGPOBSA-N 1 2 298.347 -1.819 20 0 CAADLO C[C@H](C[N@H+](C)Cc1cnnn1C)NC(=O)Cn1cnnn1 ZINC001374999301 887857083 /nfs/dbraw/zinc/85/70/83/887857083.db2.gz BCTREHZDAAZBBA-SECBINFHSA-N 1 2 293.335 -1.562 20 0 CAADLO C[C@H](C[N@@H+](C)Cc1cnnn1C)NC(=O)Cn1cnnn1 ZINC001374999301 887857089 /nfs/dbraw/zinc/85/70/89/887857089.db2.gz BCTREHZDAAZBBA-SECBINFHSA-N 1 2 293.335 -1.562 20 0 CAADLO O=C(Cn1ncnn1)NC[C@@H]1CC[N@@H+]1[C@H]1CCNC1=O ZINC001375312051 887868311 /nfs/dbraw/zinc/86/83/11/887868311.db2.gz ISNVXKAHQAXGEQ-IUCAKERBSA-N 1 2 279.304 -2.248 20 0 CAADLO O=C(Cn1ncnn1)NC[C@@H]1CC[N@H+]1[C@H]1CCNC1=O ZINC001375312051 887868320 /nfs/dbraw/zinc/86/83/20/887868320.db2.gz ISNVXKAHQAXGEQ-IUCAKERBSA-N 1 2 279.304 -2.248 20 0 CAADLO O=C(Cn1ncnn1)NC[C@@H]1CC[N@@H+]1[C@@H]1CCNC1=O ZINC001375312047 887868531 /nfs/dbraw/zinc/86/85/31/887868531.db2.gz ISNVXKAHQAXGEQ-DTWKUNHWSA-N 1 2 279.304 -2.248 20 0 CAADLO O=C(Cn1ncnn1)NC[C@@H]1CC[N@H+]1[C@@H]1CCNC1=O ZINC001375312047 887868546 /nfs/dbraw/zinc/86/85/46/887868546.db2.gz ISNVXKAHQAXGEQ-DTWKUNHWSA-N 1 2 279.304 -2.248 20 0 CAADLO CNC(=O)CCCC(=O)NC[C@H]1CC[N@@H+]1[C@@H](C)C(N)=O ZINC001375309110 887869272 /nfs/dbraw/zinc/86/92/72/887869272.db2.gz KJJUSDQBZOBWRK-VHSXEESVSA-N 1 2 284.360 -1.033 20 0 CAADLO CN(C)C(=O)C[N@@H+]1CC[C@H]1CNC(=O)CCn1ccnn1 ZINC001375310487 887869543 /nfs/dbraw/zinc/86/95/43/887869543.db2.gz NJOWOIRYVHCBRC-NSHDSACASA-N 1 2 294.359 -1.053 20 0 CAADLO CN(C)C(=O)C[N@H+]1CC[C@H]1CNC(=O)CCn1ccnn1 ZINC001375310487 887869555 /nfs/dbraw/zinc/86/95/55/887869555.db2.gz NJOWOIRYVHCBRC-NSHDSACASA-N 1 2 294.359 -1.053 20 0 CAADLO O=C(Cn1ncnn1)NC[C@H]1CC[N@@H+]1[C@@H]1CCNC1=O ZINC001375312055 887870040 /nfs/dbraw/zinc/87/00/40/887870040.db2.gz ISNVXKAHQAXGEQ-RKDXNWHRSA-N 1 2 279.304 -2.248 20 0 CAADLO O=C(Cn1ncnn1)NC[C@H]1CC[N@H+]1[C@@H]1CCNC1=O ZINC001375312055 887870054 /nfs/dbraw/zinc/87/00/54/887870054.db2.gz ISNVXKAHQAXGEQ-RKDXNWHRSA-N 1 2 279.304 -2.248 20 0 CAADLO CNC(=O)CCCC(=O)NC[C@@H]1CC[N@@H+]1[C@@H](C)C(N)=O ZINC001375309107 887870422 /nfs/dbraw/zinc/87/04/22/887870422.db2.gz KJJUSDQBZOBWRK-UWVGGRQHSA-N 1 2 284.360 -1.033 20 0 CAADLO CNC(=O)CCCC(=O)NC[C@@H]1CC[N@H+]1[C@@H](C)C(N)=O ZINC001375309107 887870431 /nfs/dbraw/zinc/87/04/31/887870431.db2.gz KJJUSDQBZOBWRK-UWVGGRQHSA-N 1 2 284.360 -1.033 20 0 CAADLO O=C(CNC(=O)C1CC1)NC[C@H]1CC[N@@H+]1[C@H]1CCNC1=O ZINC001375299443 887870615 /nfs/dbraw/zinc/87/06/15/887870615.db2.gz XAGKKNCUNGRJGP-MNOVXSKESA-N 1 2 294.355 -1.408 20 0 CAADLO O=C(CNC(=O)C1CC1)NC[C@H]1CC[N@H+]1[C@H]1CCNC1=O ZINC001375299443 887870626 /nfs/dbraw/zinc/87/06/26/887870626.db2.gz XAGKKNCUNGRJGP-MNOVXSKESA-N 1 2 294.355 -1.408 20 0 CAADLO CCNC(=O)CCC(=O)NC[C@H]1CC[N@@H+]1[C@@H]1CCNC1=O ZINC001375291172 887871172 /nfs/dbraw/zinc/87/11/72/887871172.db2.gz AUHQSQALNRSPDJ-GHMZBOCLSA-N 1 2 296.371 -1.018 20 0 CAADLO CCNC(=O)CCC(=O)NC[C@H]1CC[N@H+]1[C@@H]1CCNC1=O ZINC001375291172 887871183 /nfs/dbraw/zinc/87/11/83/887871183.db2.gz AUHQSQALNRSPDJ-GHMZBOCLSA-N 1 2 296.371 -1.018 20 0 CAADLO CC[C@@H](C(N)=O)[N@@H+]1CC[C@H]1CNC(=O)CCNC(=O)NC ZINC001375308816 887871461 /nfs/dbraw/zinc/87/14/61/887871461.db2.gz WTYQTLAPQHETFC-UWVGGRQHSA-N 1 2 299.375 -1.240 20 0 CAADLO CC[C@@H](C(N)=O)[N@H+]1CC[C@H]1CNC(=O)CCNC(=O)NC ZINC001375308816 887871497 /nfs/dbraw/zinc/87/14/97/887871497.db2.gz WTYQTLAPQHETFC-UWVGGRQHSA-N 1 2 299.375 -1.240 20 0 CAADLO Cc1nn[nH]c1C(=O)NCC1([NH2+]Cc2nnnn2C)CC1 ZINC001375454264 887877133 /nfs/dbraw/zinc/87/71/33/887877133.db2.gz DXCMTXKMLBMWQS-UHFFFAOYSA-N 1 2 291.319 -1.311 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CC[C@@H]1CN(C)C(=O)Cc1nnc[nH]1 ZINC001375477713 887877923 /nfs/dbraw/zinc/87/79/23/887877923.db2.gz UEVRHCWLYKPPES-RKDXNWHRSA-N 1 2 280.332 -1.246 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CC[C@@H]1CN(C)C(=O)Cc1nnc[nH]1 ZINC001375477713 887877937 /nfs/dbraw/zinc/87/79/37/887877937.db2.gz UEVRHCWLYKPPES-RKDXNWHRSA-N 1 2 280.332 -1.246 20 0 CAADLO CCNC(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CNC(=O)N1 ZINC001375457560 887878399 /nfs/dbraw/zinc/87/83/99/887878399.db2.gz MPFWYFLCHSWGQF-ZJUUUORDSA-N 1 2 297.359 -1.663 20 0 CAADLO CCNC(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CNC(=O)N1 ZINC001375457560 887878410 /nfs/dbraw/zinc/87/84/10/887878410.db2.gz MPFWYFLCHSWGQF-ZJUUUORDSA-N 1 2 297.359 -1.663 20 0 CAADLO Cn1[nH]c(C[NH2+]C2(CNC(=O)c3nnc[nH]3)CC2)nc1=O ZINC001375499139 887879771 /nfs/dbraw/zinc/87/97/71/887879771.db2.gz AXNOLQWEFRZCRB-UHFFFAOYSA-N 1 2 292.303 -1.721 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CC[C@@H]1CN(C)C(=O)Cc1nnc[nH]1 ZINC001375477691 887880005 /nfs/dbraw/zinc/88/00/05/887880005.db2.gz UEVRHCWLYKPPES-DTWKUNHWSA-N 1 2 280.332 -1.246 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CC[C@@H]1CN(C)C(=O)Cc1nnc[nH]1 ZINC001375477691 887880013 /nfs/dbraw/zinc/88/00/13/887880013.db2.gz UEVRHCWLYKPPES-DTWKUNHWSA-N 1 2 280.332 -1.246 20 0 CAADLO CC(=O)NCC(=O)NC[C@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001375579306 887881835 /nfs/dbraw/zinc/88/18/35/887881835.db2.gz IPOOCZYUODXCPK-JTQLQIEISA-N 1 2 295.343 -1.112 20 0 CAADLO COC[C@H](O)C[NH+]1CC(N(C)C(=O)[C@@H]2COCCO2)C1 ZINC001375664923 887885071 /nfs/dbraw/zinc/88/50/71/887885071.db2.gz VZWXZMNRXQXFAJ-NEPJUHHUSA-N 1 2 288.344 -1.448 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(N(C)C(=O)c2cn(C)nn2)C1 ZINC001375672984 887885133 /nfs/dbraw/zinc/88/51/33/887885133.db2.gz SXEPFJULCJRYFF-JTQLQIEISA-N 1 2 283.332 -1.421 20 0 CAADLO C[C@@H](NS(C)(=O)=O)C(=O)N(C)C1C[NH+](CCO)C1 ZINC001375713170 887889224 /nfs/dbraw/zinc/88/92/24/887889224.db2.gz WDSZZDVRXVUBFD-MRVPVSSYSA-N 1 2 279.362 -1.941 20 0 CAADLO CNS(=O)(=O)CC(=O)N(C)C1C[NH+](C[C@H](C)OC)C1 ZINC001375721878 887890857 /nfs/dbraw/zinc/89/08/57/887890857.db2.gz JNRLQRXMGQACOY-VIFPVBQESA-N 1 2 293.389 -1.287 20 0 CAADLO CNS(=O)(=O)CC(=O)N(C)C1C[NH+](C[C@@H](C)OC)C1 ZINC001375721877 887890870 /nfs/dbraw/zinc/89/08/70/887890870.db2.gz JNRLQRXMGQACOY-SECBINFHSA-N 1 2 293.389 -1.287 20 0 CAADLO CC(=O)NCC[NH+]1CCN(CC(=O)NC(N)=O)CC1 ZINC001376070620 887898110 /nfs/dbraw/zinc/89/81/10/887898110.db2.gz NZLCWFWFPYFTHF-UHFFFAOYSA-N 1 2 271.321 -2.065 20 0 CAADLO NC(=O)NC(=O)C[N@@H+]1CCC[C@H](NC(=O)c2ncc[nH]2)C1 ZINC001376052117 887897697 /nfs/dbraw/zinc/89/76/97/887897697.db2.gz MPMYTVCXNAOZJC-QMMMGPOBSA-N 1 2 294.315 -1.201 20 0 CAADLO NC(=O)NC(=O)C[N@H+]1CCC[C@H](NC(=O)c2ncc[nH]2)C1 ZINC001376052117 887897704 /nfs/dbraw/zinc/89/77/04/887897704.db2.gz MPMYTVCXNAOZJC-QMMMGPOBSA-N 1 2 294.315 -1.201 20 0 CAADLO COC[C@H](O)C[NH+]1CC(O)(CNC(=O)c2cccnc2)C1 ZINC001376113371 887902847 /nfs/dbraw/zinc/90/28/47/887902847.db2.gz QQNGISSUVDOCGB-GFCCVEGCSA-N 1 2 295.339 -1.135 20 0 CAADLO COC[C@@H](O)C[N@@H+]1CC[C@H](NC(=O)CS(C)(=O)=O)C1 ZINC001376115078 887903120 /nfs/dbraw/zinc/90/31/20/887903120.db2.gz KAZSCFRQLGEEQU-UWVGGRQHSA-N 1 2 294.373 -1.771 20 0 CAADLO COC[C@@H](O)C[N@H+]1CC[C@H](NC(=O)CS(C)(=O)=O)C1 ZINC001376115078 887903124 /nfs/dbraw/zinc/90/31/24/887903124.db2.gz KAZSCFRQLGEEQU-UWVGGRQHSA-N 1 2 294.373 -1.771 20 0 CAADLO COCC(=O)N[C@@H]1CC[N@H+](CC(=O)NC[C@H]2CCOC2)C1 ZINC001376101199 887903329 /nfs/dbraw/zinc/90/33/29/887903329.db2.gz AAIOGYWGHKRPGU-VXGBXAGGSA-N 1 2 299.371 -1.024 20 0 CAADLO COCC(=O)N[C@@H]1CC[N@@H+](CC(=O)NC[C@H]2CCOC2)C1 ZINC001376101199 887903331 /nfs/dbraw/zinc/90/33/31/887903331.db2.gz AAIOGYWGHKRPGU-VXGBXAGGSA-N 1 2 299.371 -1.024 20 0 CAADLO C[C@H](C(N)=O)[NH+]1CCN(CCNC(=O)c2ncc[nH]2)CC1 ZINC001376077416 887903502 /nfs/dbraw/zinc/90/35/02/887903502.db2.gz PCYYDAHPEFSLHP-SNVBAGLBSA-N 1 2 294.359 -1.369 20 0 CAADLO COCC(=O)N[C@@H]1CC[N@H+](CC(=O)NC[C@@H]2CCOC2)C1 ZINC001376101194 887904111 /nfs/dbraw/zinc/90/41/11/887904111.db2.gz AAIOGYWGHKRPGU-NWDGAFQWSA-N 1 2 299.371 -1.024 20 0 CAADLO COCC(=O)N[C@@H]1CC[N@@H+](CC(=O)NC[C@@H]2CCOC2)C1 ZINC001376101194 887904121 /nfs/dbraw/zinc/90/41/21/887904121.db2.gz AAIOGYWGHKRPGU-NWDGAFQWSA-N 1 2 299.371 -1.024 20 0 CAADLO CCCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC(=O)N2)C1 ZINC001376123207 887905789 /nfs/dbraw/zinc/90/57/89/887905789.db2.gz ZMQMEQDJTLSLPG-WDEREUQCSA-N 1 2 296.371 -1.018 20 0 CAADLO CCCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCC(=O)N2)C1 ZINC001376123207 887905792 /nfs/dbraw/zinc/90/57/92/887905792.db2.gz ZMQMEQDJTLSLPG-WDEREUQCSA-N 1 2 296.371 -1.018 20 0 CAADLO CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)Cn2cnnn2)C1 ZINC001376118858 887905797 /nfs/dbraw/zinc/90/57/97/887905797.db2.gz IQVLABGKNGTFPH-VIFPVBQESA-N 1 2 281.320 -2.000 20 0 CAADLO CCNC(=O)C[N@H+]1CC[C@H](NC(=O)Cn2cnnn2)C1 ZINC001376118858 887905800 /nfs/dbraw/zinc/90/58/00/887905800.db2.gz IQVLABGKNGTFPH-VIFPVBQESA-N 1 2 281.320 -2.000 20 0 CAADLO C[C@@H](O)C[NH+]1CC(O)(CNC(=O)c2cnns2)C1 ZINC001376129700 887905852 /nfs/dbraw/zinc/90/58/52/887905852.db2.gz FOWUHIUTFUPCHR-SSDOTTSWSA-N 1 2 272.330 -1.305 20 0 CAADLO C[C@H](O)C[NH+]1CC(O)(CNC(=O)c2cnsn2)C1 ZINC001376131557 887905910 /nfs/dbraw/zinc/90/59/10/887905910.db2.gz MIIMATFUQPSIRH-ZETCQYMHSA-N 1 2 272.330 -1.305 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(O)(CNC(=O)c2cnccn2)C1 ZINC001376119380 887906005 /nfs/dbraw/zinc/90/60/05/887906005.db2.gz FAESUVVKZDMALS-JTQLQIEISA-N 1 2 296.327 -1.740 20 0 CAADLO CN(CC(=O)N[C@@H]1CC[N@H+](CC(N)=O)C1)S(C)(=O)=O ZINC001376127256 887906111 /nfs/dbraw/zinc/90/61/11/887906111.db2.gz FTUQVGDOLJBACM-MRVPVSSYSA-N 1 2 292.361 -2.446 20 0 CAADLO CN(CC(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C1)S(C)(=O)=O ZINC001376127256 887906114 /nfs/dbraw/zinc/90/61/14/887906114.db2.gz FTUQVGDOLJBACM-MRVPVSSYSA-N 1 2 292.361 -2.446 20 0 CAADLO CC(=O)NCC(=O)NCC(=O)N[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001376128482 887906130 /nfs/dbraw/zinc/90/61/30/887906130.db2.gz FUSOIEDWOFRLDY-SECBINFHSA-N 1 2 299.331 -3.086 20 0 CAADLO CC(=O)NCC(=O)NCC(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001376128482 887906131 /nfs/dbraw/zinc/90/61/31/887906131.db2.gz FUSOIEDWOFRLDY-SECBINFHSA-N 1 2 299.331 -3.086 20 0 CAADLO CCCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCC(=O)N2)C1 ZINC001376123201 887906176 /nfs/dbraw/zinc/90/61/76/887906176.db2.gz ZMQMEQDJTLSLPG-GHMZBOCLSA-N 1 2 296.371 -1.018 20 0 CAADLO CCCNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CCC(=O)N2)C1 ZINC001376123201 887906177 /nfs/dbraw/zinc/90/61/77/887906177.db2.gz ZMQMEQDJTLSLPG-GHMZBOCLSA-N 1 2 296.371 -1.018 20 0 CAADLO CCCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@H](C)NC(N)=O)C1 ZINC001376118194 887906198 /nfs/dbraw/zinc/90/61/98/887906198.db2.gz WQOHDRLDLAQWRV-VHSXEESVSA-N 1 2 299.375 -1.240 20 0 CAADLO CCCNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@H](C)NC(N)=O)C1 ZINC001376118194 887906200 /nfs/dbraw/zinc/90/62/00/887906200.db2.gz WQOHDRLDLAQWRV-VHSXEESVSA-N 1 2 299.375 -1.240 20 0 CAADLO COC[C@H](O)C[NH+]1CC(O)(CNC(=O)c2cc(C)n[nH]2)C1 ZINC001376130584 887906272 /nfs/dbraw/zinc/90/62/72/887906272.db2.gz JNCCXEDWCWXSBD-SNVBAGLBSA-N 1 2 298.343 -1.498 20 0 CAADLO CC[C@@H](C[NH+]1CC(O)(CNC(=O)CNC(C)=O)C1)OC ZINC001376119751 887906310 /nfs/dbraw/zinc/90/63/10/887906310.db2.gz GXHNOBIKIRMFMJ-NSHDSACASA-N 1 2 287.360 -1.290 20 0 CAADLO CC(C)OCC[NH+]1CC(O)(CNC(=O)Cn2cnnn2)C1 ZINC001376129362 887906384 /nfs/dbraw/zinc/90/63/84/887906384.db2.gz NTNVQDLAJPXIPT-UHFFFAOYSA-N 1 2 298.347 -1.739 20 0 CAADLO COC[C@H](O)C[NH+]1CC(O)(CNC(=O)c2ccnn2C)C1 ZINC001376135697 887909245 /nfs/dbraw/zinc/90/92/45/887909245.db2.gz HDZGOJAHOUERHL-SNVBAGLBSA-N 1 2 298.343 -1.796 20 0 CAADLO COC[C@H](O)C[NH+]1CC(O)(CNC(=O)c2cn(C)cn2)C1 ZINC001376158818 887909906 /nfs/dbraw/zinc/90/99/06/887909906.db2.gz KQHUECUUZUBVBB-SNVBAGLBSA-N 1 2 298.343 -1.796 20 0 CAADLO O=C(NCC1(O)C[NH+](CCCO)C1)[C@@H]1CCCOC1 ZINC001376145424 887910133 /nfs/dbraw/zinc/91/01/33/887910133.db2.gz ZKKFMDHOBBHVNG-LLVKDONJSA-N 1 2 272.345 -1.042 20 0 CAADLO COC[C@H](O)C[NH+]1CC(O)(CNC(=O)c2ccn[nH]2)C1 ZINC001376144984 887910817 /nfs/dbraw/zinc/91/08/17/887910817.db2.gz YHUJILPLBDQLPY-SECBINFHSA-N 1 2 284.316 -1.807 20 0 CAADLO COc1cc(C(=O)NCC2(O)C[NH+](C[C@@H](C)O)C2)on1 ZINC001376163106 887912215 /nfs/dbraw/zinc/91/22/15/887912215.db2.gz FYMLZYWKIKNTAX-MRVPVSSYSA-N 1 2 285.300 -1.160 20 0 CAADLO C[C@H](O)CCC[NH+]1CC(O)(CNC(=O)c2cnnn2C)C1 ZINC001376161540 887912163 /nfs/dbraw/zinc/91/21/63/887912163.db2.gz JLPNSZSMVJRJOA-JTQLQIEISA-N 1 2 297.359 -1.247 20 0 CAADLO C[C@@H](O)C[NH+]1CC(O)(CNC(=O)[C@@H]2CCNC(=O)C2)C1 ZINC001376159980 887912383 /nfs/dbraw/zinc/91/23/83/887912383.db2.gz OCQYEHARYCKXCG-NXEZZACHSA-N 1 2 285.344 -1.944 20 0 CAADLO COCC[NH+]1CC(O)(CNC(=O)c2ccc(=O)n(C)c2)C1 ZINC001376192930 887912506 /nfs/dbraw/zinc/91/25/06/887912506.db2.gz HSLCIGIXGTWISO-UHFFFAOYSA-N 1 2 295.339 -1.192 20 0 CAADLO C[C@H](F)CC[NH+]1CC(O)(CNC(=O)[C@H](C)NC(N)=O)C1 ZINC001376163161 887912636 /nfs/dbraw/zinc/91/26/36/887912636.db2.gz HAMIPSFBYCJGNJ-IUCAKERBSA-N 1 2 290.339 -1.046 20 0 CAADLO C[C@@H](O)CCC[NH+]1CC(O)(CNC(=O)c2cnnn2C)C1 ZINC001376161547 887913410 /nfs/dbraw/zinc/91/34/10/887913410.db2.gz JLPNSZSMVJRJOA-SNVBAGLBSA-N 1 2 297.359 -1.247 20 0 CAADLO COC[C@H](O)C[NH+]1CC(O)(CNC(=O)c2cncn2C)C1 ZINC001376199634 887915285 /nfs/dbraw/zinc/91/52/85/887915285.db2.gz WJSDYARONAAWLA-SNVBAGLBSA-N 1 2 298.343 -1.796 20 0 CAADLO C[C@@H](O)CN1CC(O)(CNC(=O)CCn2cc[nH+]c2)C1 ZINC001376222975 887915439 /nfs/dbraw/zinc/91/54/39/887915439.db2.gz MBGMUOPSKXCEEE-LLVKDONJSA-N 1 2 282.344 -1.183 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(O)(CNC(=O)CCCF)C1 ZINC001376221923 887915627 /nfs/dbraw/zinc/91/56/27/887915627.db2.gz CCAVSKNDCHUPCW-JTQLQIEISA-N 1 2 278.324 -1.094 20 0 CAADLO CO[C@H](C)C[NH+]1CC(O)(CNC(=O)[C@H]2CCC(=O)NC2)C1 ZINC001376202721 887915654 /nfs/dbraw/zinc/91/56/54/887915654.db2.gz YQXZEKISDYWPGO-MNOVXSKESA-N 1 2 299.371 -1.290 20 0 CAADLO CO[C@H](C)C[NH+]1CC(O)(CNC(=O)[C@@H]2CCC(=O)NC2)C1 ZINC001376202716 887915845 /nfs/dbraw/zinc/91/58/45/887915845.db2.gz YQXZEKISDYWPGO-GHMZBOCLSA-N 1 2 299.371 -1.290 20 0 CAADLO CN1C[C@H](C(=O)NCC2(O)C[NH+](CCCO)C2)NC1=O ZINC001376224332 887915952 /nfs/dbraw/zinc/91/59/52/887915952.db2.gz RFDLEKMIBHXVBW-SECBINFHSA-N 1 2 286.332 -2.445 20 0 CAADLO CC[NH+]1CC(O)(CNC(=O)[C@@H]2CCCN(C(N)=O)C2)C1 ZINC001376212953 887916144 /nfs/dbraw/zinc/91/61/44/887916144.db2.gz WWUNCYBTGIGNJS-SNVBAGLBSA-N 1 2 284.360 -1.040 20 0 CAADLO COC[C@@H](C)[NH+]1CC(O)(CNC(=O)[C@H]2CCC(=O)NC2)C1 ZINC001376202194 887916438 /nfs/dbraw/zinc/91/64/38/887916438.db2.gz WMAAPPCIPCGKBZ-MNOVXSKESA-N 1 2 299.371 -1.290 20 0 CAADLO CC[C@H](NC(C)=O)C(=O)NCC1(O)C[NH+](C[C@H](C)O)C1 ZINC001376243158 887918780 /nfs/dbraw/zinc/91/87/80/887918780.db2.gz SFMRGLWQCWJHHT-ONGXEEELSA-N 1 2 287.360 -1.555 20 0 CAADLO COC[C@H](O)C[NH+]1CC(O)(CNC(=O)c2ncccn2)C1 ZINC001376256868 887919344 /nfs/dbraw/zinc/91/93/44/887919344.db2.gz JJXCMCNABRDBJF-SNVBAGLBSA-N 1 2 296.327 -1.740 20 0 CAADLO COC[C@@H](O)CN1CC(O)(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001376292540 887921297 /nfs/dbraw/zinc/92/12/97/887921297.db2.gz BMPRFNACMGXCFH-NSHDSACASA-N 1 2 298.343 -1.947 20 0 CAADLO COC[C@@H](C)[NH+]1CC(O)(CNC(=O)CCCC(N)=O)C1 ZINC001376292819 887922041 /nfs/dbraw/zinc/92/20/41/887922041.db2.gz FKEZCHNLCMNSPO-SNVBAGLBSA-N 1 2 287.360 -1.160 20 0 CAADLO C[C@H](O)C[NH+]1CC(O)(CNC(=O)c2ccc(=O)n(C)n2)C1 ZINC001376290395 887922089 /nfs/dbraw/zinc/92/20/89/887922089.db2.gz ZDZOTNJBYGDYAP-VIFPVBQESA-N 1 2 296.327 -2.062 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(O)(CNC(=O)c2[nH]cnc2C)C1 ZINC001376292698 887922477 /nfs/dbraw/zinc/92/24/77/887922477.db2.gz DNJNOYHZWFMFMA-JTQLQIEISA-N 1 2 298.343 -1.498 20 0 CAADLO COCC(=O)N[C@@]1(CO)CCC[N@H+](CC(=O)NC2CC2)C1 ZINC001376446455 887926870 /nfs/dbraw/zinc/92/68/70/887926870.db2.gz YMTQVFDJDJVCCS-AWEZNQCLSA-N 1 2 299.371 -1.146 20 0 CAADLO COCC(=O)N[C@@]1(CO)CCC[N@@H+](CC(=O)NC2CC2)C1 ZINC001376446455 887926887 /nfs/dbraw/zinc/92/68/87/887926887.db2.gz YMTQVFDJDJVCCS-AWEZNQCLSA-N 1 2 299.371 -1.146 20 0 CAADLO COC[C@H](OC)C(=O)N[C@H]1C[C@@H]([NH2+]Cc2nnn(C)n2)C1 ZINC001376473874 887933186 /nfs/dbraw/zinc/93/31/86/887933186.db2.gz IENWGUYZCCVVIT-AEJSXWLSSA-N 1 2 298.347 -1.392 20 0 CAADLO O=C(Cn1cc[nH+]c1)NC[C@@H](O)CNC(=O)[C@H]1CCCO1 ZINC001376482396 887933325 /nfs/dbraw/zinc/93/33/25/887933325.db2.gz KHBGJNZEMJTNPM-GHMZBOCLSA-N 1 2 296.327 -1.345 20 0 CAADLO O=C(Cn1cc[nH+]c1)NC[C@H](O)CNC(=O)[C@H]1CCCO1 ZINC001376482412 887933340 /nfs/dbraw/zinc/93/33/40/887933340.db2.gz KHBGJNZEMJTNPM-WDEREUQCSA-N 1 2 296.327 -1.345 20 0 CAADLO O=C(Cn1cc[nH+]c1)NC[C@@H](O)CNC(=O)[C@@H]1CCCO1 ZINC001376482402 887933675 /nfs/dbraw/zinc/93/36/75/887933675.db2.gz KHBGJNZEMJTNPM-MNOVXSKESA-N 1 2 296.327 -1.345 20 0 CAADLO COC[C@@H](OC)C(=O)N[C@H]1C[C@@H]([NH2+]Cc2nnn(C)n2)C1 ZINC001376473895 887933797 /nfs/dbraw/zinc/93/37/97/887933797.db2.gz IENWGUYZCCVVIT-KXUCPTDWSA-N 1 2 298.347 -1.392 20 0 CAADLO O=C(Cc1c[nH]c[nH+]1)NC[C@H](O)CNC(=O)c1ccon1 ZINC001376518309 887937922 /nfs/dbraw/zinc/93/79/22/887937922.db2.gz GCVCZNWZPFVYBD-VIFPVBQESA-N 1 2 293.283 -1.153 20 0 CAADLO CO[C@H](C)C(=O)NC[C@@H](O)CNC(=O)CCc1[nH]cc[nH+]1 ZINC001376518341 887938434 /nfs/dbraw/zinc/93/84/34/887938434.db2.gz GEYCAUXYDNPFAY-ZJUUUORDSA-N 1 2 298.343 -1.030 20 0 CAADLO CO[C@H](C)C(=O)NC[C@H](O)CNC(=O)CCc1[nH]cc[nH+]1 ZINC001376518328 887939114 /nfs/dbraw/zinc/93/91/14/887939114.db2.gz GEYCAUXYDNPFAY-NXEZZACHSA-N 1 2 298.343 -1.030 20 0 CAADLO COC[C@@H](C)C(=O)NC[C@H](O)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001376549483 887943602 /nfs/dbraw/zinc/94/36/02/887943602.db2.gz NOYMXPGZLXLQSH-NXEZZACHSA-N 1 2 298.343 -1.172 20 0 CAADLO C[C@H](O)C[N@@H+]1CCOC[C@H]1CNC(=O)CNC(=O)C1CC1 ZINC001376635857 887944776 /nfs/dbraw/zinc/94/47/76/887944776.db2.gz LUFVZLGZMMRNIB-CMPLNLGQSA-N 1 2 299.371 -1.290 20 0 CAADLO C[C@H](O)C[N@H+]1CCOC[C@H]1CNC(=O)CNC(=O)C1CC1 ZINC001376635857 887944786 /nfs/dbraw/zinc/94/47/86/887944786.db2.gz LUFVZLGZMMRNIB-CMPLNLGQSA-N 1 2 299.371 -1.290 20 0 CAADLO NC(=O)CN1CCOC[C@@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001376645660 887944831 /nfs/dbraw/zinc/94/48/31/887944831.db2.gz HYKSFDFXTFOGGI-NSHDSACASA-N 1 2 295.343 -1.425 20 0 CAADLO CC(C)(O)CC(=O)NC[C@@H](O)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001376605464 887945054 /nfs/dbraw/zinc/94/50/54/887945054.db2.gz UMUCAOJLDYLHJU-VIFPVBQESA-N 1 2 298.343 -1.294 20 0 CAADLO O=C(Cc1[nH]cc[nH+]1)NC[C@H](O)CNC(=O)c1ncc[nH]1 ZINC001376613058 887945605 /nfs/dbraw/zinc/94/56/05/887945605.db2.gz WSTQUIOKHSFXGN-QMMMGPOBSA-N 1 2 292.299 -1.418 20 0 CAADLO NC(=O)CN1CCOC[C@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001376645653 887946799 /nfs/dbraw/zinc/94/67/99/887946799.db2.gz HYKSFDFXTFOGGI-LLVKDONJSA-N 1 2 295.343 -1.425 20 0 CAADLO C[C@H](CNC(=O)c1cnccn1)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001376679413 887948830 /nfs/dbraw/zinc/94/88/30/887948830.db2.gz QMQMHROMRGXWEL-MRVPVSSYSA-N 1 2 291.315 -1.194 20 0 CAADLO C[C@@H](CNC(=O)c1cnccn1)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001376679421 887949343 /nfs/dbraw/zinc/94/93/43/887949343.db2.gz QMQMHROMRGXWEL-QMMMGPOBSA-N 1 2 291.315 -1.194 20 0 CAADLO COCc1noc(C[NH2+][C@@H](C)CNC(=O)CNC(C)=O)n1 ZINC001376672431 887950025 /nfs/dbraw/zinc/95/00/25/887950025.db2.gz ADCJMFDEYLGION-QMMMGPOBSA-N 1 2 299.331 -1.054 20 0 CAADLO NC(=O)CCCC(=O)NC[C@H]1CCC2(C[NH+](CCO)C2)O1 ZINC001377063283 887972384 /nfs/dbraw/zinc/97/23/84/887972384.db2.gz UOTDOHOBMNWHOB-LLVKDONJSA-N 1 2 299.371 -1.016 20 0 CAADLO CC(=O)N(C)CC(=O)N[C@H]1COC2(C[NH+](CCO)C2)C1 ZINC001377075653 887973486 /nfs/dbraw/zinc/97/34/86/887973486.db2.gz QHEHCYJBBBBRAJ-LLVKDONJSA-N 1 2 285.344 -1.584 20 0 CAADLO CO[C@@H](C)C(=O)NCC[N@H+](C)CC(=O)N1CCOCC1 ZINC001377135968 887974786 /nfs/dbraw/zinc/97/47/86/887974786.db2.gz PVXJJHODQKXSLK-NSHDSACASA-N 1 2 287.360 -1.072 20 0 CAADLO CO[C@@H](C)C(=O)NCC[N@@H+](C)CC(=O)N1CCOCC1 ZINC001377135968 887974792 /nfs/dbraw/zinc/97/47/92/887974792.db2.gz PVXJJHODQKXSLK-NSHDSACASA-N 1 2 287.360 -1.072 20 0 CAADLO C[N@H+](CCNC(=O)Cn1cnnn1)CC(=O)N1CCCC1 ZINC001377117195 887974679 /nfs/dbraw/zinc/97/46/79/887974679.db2.gz KUBKCPVHSPJKCJ-UHFFFAOYSA-N 1 2 295.347 -1.657 20 0 CAADLO C[N@@H+](CCNC(=O)Cn1cnnn1)CC(=O)N1CCCC1 ZINC001377117195 887974687 /nfs/dbraw/zinc/97/46/87/887974687.db2.gz KUBKCPVHSPJKCJ-UHFFFAOYSA-N 1 2 295.347 -1.657 20 0 CAADLO CNC(=O)C[N@H+](C)CCNC(=O)CN1CCCC1=O ZINC001377116869 887975722 /nfs/dbraw/zinc/97/57/22/887975722.db2.gz IAKFWTRMGRYVAA-UHFFFAOYSA-N 1 2 270.333 -1.597 20 0 CAADLO CNC(=O)C[N@@H+](C)CCNC(=O)CN1CCCC1=O ZINC001377116869 887975729 /nfs/dbraw/zinc/97/57/29/887975729.db2.gz IAKFWTRMGRYVAA-UHFFFAOYSA-N 1 2 270.333 -1.597 20 0 CAADLO CC(=O)NCC(=O)NCC[N@H+](C)CCCS(C)(=O)=O ZINC001377111045 887975826 /nfs/dbraw/zinc/97/58/26/887975826.db2.gz WJJOWNLMTFJHEU-UHFFFAOYSA-N 1 2 293.389 -1.395 20 0 CAADLO CC(=O)NCC(=O)NCC[N@@H+](C)CCCS(C)(=O)=O ZINC001377111045 887975834 /nfs/dbraw/zinc/97/58/34/887975834.db2.gz WJJOWNLMTFJHEU-UHFFFAOYSA-N 1 2 293.389 -1.395 20 0 CAADLO C[C@H]1C[C@@H]1C(=O)NCC[N@H+](C)CC(=O)N1CCNC(=O)C1 ZINC001377122040 887976019 /nfs/dbraw/zinc/97/60/19/887976019.db2.gz OZOSDJYHEBJNAQ-QWRGUYRKSA-N 1 2 296.371 -1.351 20 0 CAADLO C[C@H]1C[C@@H]1C(=O)NCC[N@@H+](C)CC(=O)N1CCNC(=O)C1 ZINC001377122040 887976034 /nfs/dbraw/zinc/97/60/34/887976034.db2.gz OZOSDJYHEBJNAQ-QWRGUYRKSA-N 1 2 296.371 -1.351 20 0 CAADLO C[N@H+](CCNC(=O)c1ccn[nH]1)CC(=O)N1CCOCC1 ZINC001377127382 887976446 /nfs/dbraw/zinc/97/64/46/887976446.db2.gz JETFDTBVWOCACX-UHFFFAOYSA-N 1 2 295.343 -1.070 20 0 CAADLO C[N@@H+](CCNC(=O)c1ccn[nH]1)CC(=O)N1CCOCC1 ZINC001377127382 887976450 /nfs/dbraw/zinc/97/64/50/887976450.db2.gz JETFDTBVWOCACX-UHFFFAOYSA-N 1 2 295.343 -1.070 20 0 CAADLO CCCNC(=O)C[N@H+](C)CCNC(=O)[C@H]1COCCO1 ZINC001377124961 887976845 /nfs/dbraw/zinc/97/68/45/887976845.db2.gz AYJKWSREOFGJGC-LLVKDONJSA-N 1 2 287.360 -1.024 20 0 CAADLO Cc1nc(CC(=O)NCC[N@@H+](C)[C@H]2CCNC2=O)n[nH]1 ZINC001377148876 887977905 /nfs/dbraw/zinc/97/79/05/887977905.db2.gz KLRTWUPMBSDEAB-VIFPVBQESA-N 1 2 280.332 -1.408 20 0 CAADLO Cc1nc(CC(=O)NCC[N@H+](C)[C@H]2CCNC2=O)n[nH]1 ZINC001377148876 887977911 /nfs/dbraw/zinc/97/79/11/887977911.db2.gz KLRTWUPMBSDEAB-VIFPVBQESA-N 1 2 280.332 -1.408 20 0 CAADLO C[N@H+](CCNC(=O)C[C@@H]1CCNC1=O)CC(=O)NC1CC1 ZINC001377167128 887978612 /nfs/dbraw/zinc/97/86/12/887978612.db2.gz NMGNRVDWCRYCQI-JTQLQIEISA-N 1 2 296.371 -1.161 20 0 CAADLO C[N@@H+](CCNC(=O)C[C@@H]1CCNC1=O)CC(=O)NC1CC1 ZINC001377167128 887978617 /nfs/dbraw/zinc/97/86/17/887978617.db2.gz NMGNRVDWCRYCQI-JTQLQIEISA-N 1 2 296.371 -1.161 20 0 CAADLO C[C@H](NC(N)=O)C(=O)NCC[N@H+](C)Cc1nc(=O)n(C)[nH]1 ZINC001377147655 887978947 /nfs/dbraw/zinc/97/89/47/887978947.db2.gz PTLSELBYVIZOCG-ZETCQYMHSA-N 1 2 299.335 -2.287 20 0 CAADLO C[C@H](NC(N)=O)C(=O)NCC[N@@H+](C)Cc1nc(=O)n(C)[nH]1 ZINC001377147655 887978950 /nfs/dbraw/zinc/97/89/50/887978950.db2.gz PTLSELBYVIZOCG-ZETCQYMHSA-N 1 2 299.335 -2.287 20 0 CAADLO CN(C(=O)C[N@H+](C)CCNC(=O)c1nnn(C)n1)C1CC1 ZINC001377210788 887981518 /nfs/dbraw/zinc/98/15/18/887981518.db2.gz GIRMTQLLAPGVSP-UHFFFAOYSA-N 1 2 295.347 -1.508 20 0 CAADLO CN(C(=O)C[N@@H+](C)CCNC(=O)c1nnn(C)n1)C1CC1 ZINC001377210788 887981523 /nfs/dbraw/zinc/98/15/23/887981523.db2.gz GIRMTQLLAPGVSP-UHFFFAOYSA-N 1 2 295.347 -1.508 20 0 CAADLO CCNC(=O)C[N@H+](C)CCNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001377208023 887983094 /nfs/dbraw/zinc/98/30/94/887983094.db2.gz XNXMLEXLXQESJD-VIFPVBQESA-N 1 2 285.348 -1.806 20 0 CAADLO CCNC(=O)C[N@@H+](C)CCNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001377208023 887983097 /nfs/dbraw/zinc/98/30/97/887983097.db2.gz XNXMLEXLXQESJD-VIFPVBQESA-N 1 2 285.348 -1.806 20 0 CAADLO C[N@H+](CCNC(=O)[C@H]1CCc2nncn2CC1)CC(N)=O ZINC001377196813 887983142 /nfs/dbraw/zinc/98/31/42/887983142.db2.gz DDOPYWZCZZINAC-JTQLQIEISA-N 1 2 294.359 -1.236 20 0 CAADLO C[N@@H+](CCNC(=O)[C@H]1CCc2nncn2CC1)CC(N)=O ZINC001377196813 887983156 /nfs/dbraw/zinc/98/31/56/887983156.db2.gz DDOPYWZCZZINAC-JTQLQIEISA-N 1 2 294.359 -1.236 20 0 CAADLO CNC(=O)C[N@H+](C)CCNC(=O)CNS(=O)(=O)NC ZINC001377205382 887983257 /nfs/dbraw/zinc/98/32/57/887983257.db2.gz OVCAPJNUKABSNQ-UHFFFAOYSA-N 1 2 295.365 -3.166 20 0 CAADLO CNC(=O)C[N@@H+](C)CCNC(=O)CNS(=O)(=O)NC ZINC001377205382 887983264 /nfs/dbraw/zinc/98/32/64/887983264.db2.gz OVCAPJNUKABSNQ-UHFFFAOYSA-N 1 2 295.365 -3.166 20 0 CAADLO CN(C(=O)C[N@H+](C)CCNC(=O)[C@H]1C[C@H]1C(N)=O)C1CC1 ZINC001377221863 887983428 /nfs/dbraw/zinc/98/34/28/887983428.db2.gz IWMWGDVHMBTDPX-MNOVXSKESA-N 1 2 296.371 -1.223 20 0 CAADLO CN(C(=O)C[N@@H+](C)CCNC(=O)[C@H]1C[C@H]1C(N)=O)C1CC1 ZINC001377221863 887983434 /nfs/dbraw/zinc/98/34/34/887983434.db2.gz IWMWGDVHMBTDPX-MNOVXSKESA-N 1 2 296.371 -1.223 20 0 CAADLO C[N@H+](CCNC(=O)[C@@H]1CCC(=O)N1)CC(=O)N1CCC1 ZINC001377247309 887986343 /nfs/dbraw/zinc/98/63/43/887986343.db2.gz MKTDVMUXVWJPLK-JTQLQIEISA-N 1 2 282.344 -1.455 20 0 CAADLO C[N@@H+](CCNC(=O)[C@@H]1CCC(=O)N1)CC(=O)N1CCC1 ZINC001377247309 887986350 /nfs/dbraw/zinc/98/63/50/887986350.db2.gz MKTDVMUXVWJPLK-JTQLQIEISA-N 1 2 282.344 -1.455 20 0 CAADLO Cc1nn(CC(=O)NCC[N@H+](C)CC(N)=O)c(=O)n1C ZINC001377255762 887986593 /nfs/dbraw/zinc/98/65/93/887986593.db2.gz NLYHTCSBNQOVRH-UHFFFAOYSA-N 1 2 284.320 -2.576 20 0 CAADLO Cc1nn(CC(=O)NCC[N@@H+](C)CC(N)=O)c(=O)n1C ZINC001377255762 887986601 /nfs/dbraw/zinc/98/66/01/887986601.db2.gz NLYHTCSBNQOVRH-UHFFFAOYSA-N 1 2 284.320 -2.576 20 0 CAADLO CCn1nc(C(=O)NCC[N@H+](C)CC(=O)NC)ccc1=O ZINC001377234100 887986876 /nfs/dbraw/zinc/98/68/76/887986876.db2.gz FDYBZZVWMWQTKK-UHFFFAOYSA-N 1 2 295.343 -1.329 20 0 CAADLO CCn1nc(C(=O)NCC[N@@H+](C)CC(=O)NC)ccc1=O ZINC001377234100 887986885 /nfs/dbraw/zinc/98/68/85/887986885.db2.gz FDYBZZVWMWQTKK-UHFFFAOYSA-N 1 2 295.343 -1.329 20 0 CAADLO Cc1cc(C)n(CC(=O)NCC[N@@H+](C)CC(N)=O)c(=O)n1 ZINC001377239935 887986960 /nfs/dbraw/zinc/98/69/60/887986960.db2.gz JGSPSRNWZACIJP-UHFFFAOYSA-N 1 2 295.343 -1.607 20 0 CAADLO Cc1cc(C)n(CC(=O)NCC[N@H+](C)CC(N)=O)c(=O)n1 ZINC001377239935 887986965 /nfs/dbraw/zinc/98/69/65/887986965.db2.gz JGSPSRNWZACIJP-UHFFFAOYSA-N 1 2 295.343 -1.607 20 0 CAADLO Cn1ccc(C(=O)NCC[N@H+](C)Cc2nc(=O)n(C)[nH]2)n1 ZINC001377261978 887988240 /nfs/dbraw/zinc/98/82/40/887988240.db2.gz SNRHVELAAALXMJ-UHFFFAOYSA-N 1 2 293.331 -1.296 20 0 CAADLO Cn1ccc(C(=O)NCC[N@@H+](C)Cc2nc(=O)n(C)[nH]2)n1 ZINC001377261978 887988243 /nfs/dbraw/zinc/98/82/43/887988243.db2.gz SNRHVELAAALXMJ-UHFFFAOYSA-N 1 2 293.331 -1.296 20 0 CAADLO C[C@H](CNC(=O)[C@H]1CNC(=O)N1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001377252881 887988277 /nfs/dbraw/zinc/98/82/77/887988277.db2.gz GBBUONQOTNBOPG-HTQZYQBOSA-N 1 2 294.315 -1.746 20 0 CAADLO C[C@H](CNC(=O)Cc1[nH]cc[nH+]1)NC(=O)[C@H]1CNC(=O)N1 ZINC001377277536 887991257 /nfs/dbraw/zinc/99/12/57/887991257.db2.gz HTBPMKFURUMDSR-HTQZYQBOSA-N 1 2 294.315 -1.746 20 0 CAADLO O=C(Cn1cnnn1)NC[C@H]1CC[N@H+](Cc2cnon2)C1 ZINC001377422621 887993368 /nfs/dbraw/zinc/99/33/68/887993368.db2.gz LZXXXUMFIPZGLY-SECBINFHSA-N 1 2 292.303 -1.306 20 0 CAADLO O=C(Cn1cnnn1)NC[C@H]1CC[N@@H+](Cc2cnon2)C1 ZINC001377422621 887993376 /nfs/dbraw/zinc/99/33/76/887993376.db2.gz LZXXXUMFIPZGLY-SECBINFHSA-N 1 2 292.303 -1.306 20 0 CAADLO CCC[N@H+](CCNC(=O)Cc1n[nH]c(C)n1)CC(N)=O ZINC001377473223 887996863 /nfs/dbraw/zinc/99/68/63/887996863.db2.gz ARVGIVANRMIOBD-UHFFFAOYSA-N 1 2 282.348 -1.031 20 0 CAADLO CCC[N@@H+](CCNC(=O)Cc1n[nH]c(C)n1)CC(N)=O ZINC001377473223 887996868 /nfs/dbraw/zinc/99/68/68/887996868.db2.gz ARVGIVANRMIOBD-UHFFFAOYSA-N 1 2 282.348 -1.031 20 0 CAADLO Cc1nc(CC(=O)NC[C@@H]2CC[N@H+](CC(N)=O)C2)n[nH]1 ZINC001377448188 887997213 /nfs/dbraw/zinc/99/72/13/887997213.db2.gz ZFDVWFQQJPISHK-VIFPVBQESA-N 1 2 280.332 -1.421 20 0 CAADLO Cc1nc(CC(=O)NC[C@@H]2CC[N@@H+](CC(N)=O)C2)n[nH]1 ZINC001377448188 887997218 /nfs/dbraw/zinc/99/72/18/887997218.db2.gz ZFDVWFQQJPISHK-VIFPVBQESA-N 1 2 280.332 -1.421 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CC[C@@H](CNC(=O)CS(C)(=O)=O)C1 ZINC001377436609 887997825 /nfs/dbraw/zinc/99/78/25/887997825.db2.gz RZMVJYZLOADIBT-BDAKNGLRSA-N 1 2 291.373 -1.657 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CC[C@@H](CNC(=O)CS(C)(=O)=O)C1 ZINC001377436609 887997836 /nfs/dbraw/zinc/99/78/36/887997836.db2.gz RZMVJYZLOADIBT-BDAKNGLRSA-N 1 2 291.373 -1.657 20 0 CAADLO Cc1nc(CC(=O)NC[C@H]2CC[N@H+](CC(N)=O)C2)n[nH]1 ZINC001377448185 887998535 /nfs/dbraw/zinc/99/85/35/887998535.db2.gz ZFDVWFQQJPISHK-SECBINFHSA-N 1 2 280.332 -1.421 20 0 CAADLO Cc1nc(CC(=O)NC[C@H]2CC[N@@H+](CC(N)=O)C2)n[nH]1 ZINC001377448185 887998542 /nfs/dbraw/zinc/99/85/42/887998542.db2.gz ZFDVWFQQJPISHK-SECBINFHSA-N 1 2 280.332 -1.421 20 0 CAADLO CNC(=O)NCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2[C@H](C)C(N)=O ZINC001377627108 888008427 /nfs/dbraw/zinc/00/84/27/888008427.db2.gz SBRRJZNXAWBBJK-BBBLOLIVSA-N 1 2 297.359 -1.536 20 0 CAADLO CNC(=O)NCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H](C)C(N)=O ZINC001377627108 888008434 /nfs/dbraw/zinc/00/84/34/888008434.db2.gz SBRRJZNXAWBBJK-BBBLOLIVSA-N 1 2 297.359 -1.536 20 0 CAADLO CCC(=O)NCC(=O)N[C@H]1CCC[N@H+](CC(=O)NC)C1 ZINC001377838033 888011029 /nfs/dbraw/zinc/01/10/29/888011029.db2.gz MAJXHWCQMSPIDR-JTQLQIEISA-N 1 2 284.360 -1.161 20 0 CAADLO CCC(=O)NCC(=O)N[C@H]1CCC[N@@H+](CC(=O)NC)C1 ZINC001377838033 888011032 /nfs/dbraw/zinc/01/10/32/888011032.db2.gz MAJXHWCQMSPIDR-JTQLQIEISA-N 1 2 284.360 -1.161 20 0 CAADLO CCOCC(=O)N[C@@H]1CCC[N@H+](CC(=O)NC(N)=O)C1 ZINC001377808033 888011740 /nfs/dbraw/zinc/01/17/40/888011740.db2.gz GGECUBQVHVMRCS-SECBINFHSA-N 1 2 286.332 -1.202 20 0 CAADLO CCOCC(=O)N[C@@H]1CCC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001377808033 888011753 /nfs/dbraw/zinc/01/17/53/888011753.db2.gz GGECUBQVHVMRCS-SECBINFHSA-N 1 2 286.332 -1.202 20 0 CAADLO CC(=O)NCC(=O)N[C@@H]1CCC[N@H+](CC(=O)NC2CC2)C1 ZINC001377808255 888012040 /nfs/dbraw/zinc/01/20/40/888012040.db2.gz KEJHVMATZCWQAP-GFCCVEGCSA-N 1 2 296.371 -1.018 20 0 CAADLO CC(=O)NCC(=O)N[C@@H]1CCC[N@@H+](CC(=O)NC2CC2)C1 ZINC001377808255 888012050 /nfs/dbraw/zinc/01/20/50/888012050.db2.gz KEJHVMATZCWQAP-GFCCVEGCSA-N 1 2 296.371 -1.018 20 0 CAADLO C[C@@H](CNC(=O)Cn1ncnn1)NC(=O)Cn1cc[nH+]c1 ZINC001377769989 888012078 /nfs/dbraw/zinc/01/20/78/888012078.db2.gz IJSMRZQHRBDMKT-VIFPVBQESA-N 1 2 292.303 -1.809 20 0 CAADLO CC(=O)N[C@H](C)C(=O)N[C@@H]1CCC[N@H+](CC(N)=O)C1 ZINC001377809663 888012905 /nfs/dbraw/zinc/01/29/05/888012905.db2.gz NMLCKMNVYLSZBV-PSASIEDQSA-N 1 2 270.333 -1.423 20 0 CAADLO CC(=O)N[C@H](C)C(=O)N[C@@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001377809663 888012909 /nfs/dbraw/zinc/01/29/09/888012909.db2.gz NMLCKMNVYLSZBV-PSASIEDQSA-N 1 2 270.333 -1.423 20 0 CAADLO C[N@@H+](CC(N)=O)C[C@H]1CCN(C(=O)Cc2ncn[nH]2)C1 ZINC001377767043 888013316 /nfs/dbraw/zinc/01/33/16/888013316.db2.gz YFNUKSNEHOFPHV-SECBINFHSA-N 1 2 280.332 -1.387 20 0 CAADLO C[N@H+](CC(N)=O)C[C@H]1CCN(C(=O)Cc2ncn[nH]2)C1 ZINC001377767043 888013328 /nfs/dbraw/zinc/01/33/28/888013328.db2.gz YFNUKSNEHOFPHV-SECBINFHSA-N 1 2 280.332 -1.387 20 0 CAADLO C[C@@H](CC(=O)N[C@H]1CCC[N@@H+](CC(N)=O)C1)NC(N)=O ZINC001377835699 888014114 /nfs/dbraw/zinc/01/41/14/888014114.db2.gz KMFQLFRJZCQCRQ-IUCAKERBSA-N 1 2 285.348 -1.501 20 0 CAADLO C[C@@H](CC(=O)N[C@H]1CCC[N@H+](CC(N)=O)C1)NC(N)=O ZINC001377835699 888014102 /nfs/dbraw/zinc/01/41/02/888014102.db2.gz KMFQLFRJZCQCRQ-IUCAKERBSA-N 1 2 285.348 -1.501 20 0 CAADLO CC(=O)N[C@H](C)C(=O)N[C@H]1CCC[N@H+](CC(N)=O)C1 ZINC001377836237 888014147 /nfs/dbraw/zinc/01/41/47/888014147.db2.gz NMLCKMNVYLSZBV-SCZZXKLOSA-N 1 2 270.333 -1.423 20 0 CAADLO CC(=O)N[C@H](C)C(=O)N[C@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001377836237 888014154 /nfs/dbraw/zinc/01/41/54/888014154.db2.gz NMLCKMNVYLSZBV-SCZZXKLOSA-N 1 2 270.333 -1.423 20 0 CAADLO COC[C@H](O)C[NH+]1CC(NC(=O)C[C@@H]2COC(=O)C2)C1 ZINC001377877748 888015113 /nfs/dbraw/zinc/01/51/13/888015113.db2.gz BNQSAJAIGFMSRK-GXSJLCMTSA-N 1 2 286.328 -1.253 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(NC(=O)C[C@H](C)NC(N)=O)C1 ZINC001377876402 888015426 /nfs/dbraw/zinc/01/54/26/888015426.db2.gz BNAVDVRDXZVLNK-WPRPVWTQSA-N 1 2 288.348 -1.759 20 0 CAADLO COC[C@H](O)C[NH+]1CC(NC(=O)C[C@H](C)NC(N)=O)C1 ZINC001377876395 888015765 /nfs/dbraw/zinc/01/57/65/888015765.db2.gz BNAVDVRDXZVLNK-WCBMZHEXSA-N 1 2 288.348 -1.759 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(NC(=O)C[C@@H](C)NC(N)=O)C1 ZINC001377876390 888015959 /nfs/dbraw/zinc/01/59/59/888015959.db2.gz BNAVDVRDXZVLNK-SCZZXKLOSA-N 1 2 288.348 -1.759 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(NC(=O)CN(C)C(C)=O)C1 ZINC001377864988 888016121 /nfs/dbraw/zinc/01/61/21/888016121.db2.gz AULHKFOTMYMHNR-NSHDSACASA-N 1 2 273.333 -1.728 20 0 CAADLO COC[C@H](O)C[NH+]1CC(NC(=O)Cc2nnc(C)[nH]2)C1 ZINC001377883391 888018313 /nfs/dbraw/zinc/01/83/13/888018313.db2.gz ZFYAJWMFNGVLKA-SNVBAGLBSA-N 1 2 283.332 -1.537 20 0 CAADLO COCC(=O)NCCC(=O)NC1C[NH+](C[C@H](C)O)C1 ZINC001377883155 888018693 /nfs/dbraw/zinc/01/86/93/888018693.db2.gz DYWOWYACMPTJHU-VIFPVBQESA-N 1 2 273.333 -1.680 20 0 CAADLO COC[C@H](O)C[NH+]1CC(NC(=O)c2cnc[nH]c2=O)C1 ZINC001377889241 888019614 /nfs/dbraw/zinc/01/96/14/888019614.db2.gz MPKNGSQQTWIFKR-SECBINFHSA-N 1 2 282.300 -1.397 20 0 CAADLO C[C@H](C(N)=O)[NH+]1CC(CNC(=O)CN2CCCC2=O)C1 ZINC001377955722 888020700 /nfs/dbraw/zinc/02/07/00/888020700.db2.gz NUMKVRBWBGWLTK-SECBINFHSA-N 1 2 282.344 -1.469 20 0 CAADLO CN(C)S(=O)(=O)NCC(=O)NC1C[NH+](CCCO)C1 ZINC001377930328 888021293 /nfs/dbraw/zinc/02/12/93/888021293.db2.gz RAASSMJJDALCFU-UHFFFAOYSA-N 1 2 294.377 -2.435 20 0 CAADLO COC[C@H](O)C[NH+]1CC(NC(=O)Cn2ccccc2=O)C1 ZINC001377932766 888022708 /nfs/dbraw/zinc/02/27/08/888022708.db2.gz NJKLPAGUJDZGLK-GFCCVEGCSA-N 1 2 295.339 -1.344 20 0 CAADLO NC(=O)NC(=O)C[NH+]1CC(CNC(=O)[C@@H]2CCCO2)C1 ZINC001377955704 888022731 /nfs/dbraw/zinc/02/27/31/888022731.db2.gz NQRAJTDARIPMQY-VIFPVBQESA-N 1 2 284.316 -1.592 20 0 CAADLO NC(=O)NC(=O)CN1CC(NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001377931375 888022778 /nfs/dbraw/zinc/02/27/78/888022778.db2.gz XXXPFAUIHWDHNP-UHFFFAOYSA-N 1 2 280.288 -2.053 20 0 CAADLO CC(C)(NS(C)(=O)=O)C(=O)NC1C[NH+](CCCO)C1 ZINC001377929054 888022908 /nfs/dbraw/zinc/02/29/08/888022908.db2.gz WEMMTKUNSJDKOG-UHFFFAOYSA-N 1 2 293.389 -1.503 20 0 CAADLO NC(=O)NC(=O)C[NH+]1CC(CNC(=O)c2ccon2)C1 ZINC001377958640 888023069 /nfs/dbraw/zinc/02/30/69/888023069.db2.gz DTQWYKHOQAYILO-UHFFFAOYSA-N 1 2 281.272 -1.469 20 0 CAADLO Cc1nc(C(=O)NCC2C[NH+](CC(=O)NC(N)=O)C2)co1 ZINC001377967882 888023882 /nfs/dbraw/zinc/02/38/82/888023882.db2.gz UTXMNRWYMQQICE-UHFFFAOYSA-N 1 2 295.299 -1.160 20 0 CAADLO CN1CCN(CC(=O)NCC2C[NH+](CCF)C2)CC1=O ZINC001377983056 888024158 /nfs/dbraw/zinc/02/41/58/888024158.db2.gz KGJMHKMQZGFZQY-UHFFFAOYSA-N 1 2 286.351 -1.222 20 0 CAADLO CNC(=O)C[NH+]1CC(CNC(=O)[C@]2(C)CCNC(=O)C2)C1 ZINC001377973234 888024216 /nfs/dbraw/zinc/02/42/16/888024216.db2.gz ADASHLDXFAYJRQ-CQSZACIVSA-N 1 2 296.371 -1.303 20 0 CAADLO C[C@@H](CC(N)=O)C(=O)NCC1C[NH+]([C@@H](C)C(N)=O)C1 ZINC001377989485 888024313 /nfs/dbraw/zinc/02/43/13/888024313.db2.gz ZIQXPQLXCCELJP-YUMQZZPRSA-N 1 2 270.333 -1.580 20 0 CAADLO Cn1nncc1C(=O)NCC1C[NH+](CC(=O)NC(N)=O)C1 ZINC001377968212 888024424 /nfs/dbraw/zinc/02/44/24/888024424.db2.gz HLDPFBPRQWNALP-UHFFFAOYSA-N 1 2 295.303 -2.328 20 0 CAADLO O=C(C[C@H]1CCCS1(=O)=O)NCC1C[NH+](CCO)C1 ZINC001377982749 888024590 /nfs/dbraw/zinc/02/45/90/888024590.db2.gz GKMZKQRRKKCIAV-LLVKDONJSA-N 1 2 290.385 -1.006 20 0 CAADLO CC(=O)N(C)CC(=O)NCC1C[NH+](CC(=O)NC2CC2)C1 ZINC001377960285 888024608 /nfs/dbraw/zinc/02/46/08/888024608.db2.gz DWQPIQRJFIEVJJ-UHFFFAOYSA-N 1 2 296.371 -1.209 20 0 CAADLO NC(=O)NC(=O)C[NH+]1CC(CNC(=O)Cc2cc[nH]n2)C1 ZINC001377959095 888025613 /nfs/dbraw/zinc/02/56/13/888025613.db2.gz MLIALZHDRWIZTB-UHFFFAOYSA-N 1 2 294.315 -1.805 20 0 CAADLO O=C(CCn1cnnn1)NCC1C[NH+]([C@@H]2CCNC2=O)C1 ZINC001378002769 888025740 /nfs/dbraw/zinc/02/57/40/888025740.db2.gz AIBPXWTYZTVLBL-SNVBAGLBSA-N 1 2 293.331 -2.000 20 0 CAADLO NC(=O)C[NH+]1CC(CNC(=O)C[C@@H]2CCCC(=O)N2)C1 ZINC001377981186 888025932 /nfs/dbraw/zinc/02/59/32/888025932.db2.gz DVXGFLPOVWYZFV-JTQLQIEISA-N 1 2 282.344 -1.422 20 0 CAADLO CC(C)NC(=O)C[NH+]1CC(CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001377985437 888026105 /nfs/dbraw/zinc/02/61/05/888026105.db2.gz ONJPQWFTQZBTKO-SNVBAGLBSA-N 1 2 297.359 -1.760 20 0 CAADLO C[C@@H](C(N)=O)[NH+]1CC(CNC(=O)CN2CCNC(=O)C2)C1 ZINC001377986003 888026255 /nfs/dbraw/zinc/02/62/55/888026255.db2.gz OZOXVHZTGBTWAT-VIFPVBQESA-N 1 2 297.359 -2.660 20 0 CAADLO O=C(CCn1cnnn1)NCC1C[NH+]([C@H]2CCNC2=O)C1 ZINC001378002762 888026359 /nfs/dbraw/zinc/02/63/59/888026359.db2.gz AIBPXWTYZTVLBL-JTQLQIEISA-N 1 2 293.331 -2.000 20 0 CAADLO CNC(=O)NC(=O)C[NH+]1CC(CNC(=O)c2cn[nH]c2)C1 ZINC001377961427 888026574 /nfs/dbraw/zinc/02/65/74/888026574.db2.gz QFXKGCYLYZWHQQ-UHFFFAOYSA-N 1 2 294.315 -1.473 20 0 CAADLO CN(C)C(=O)C[NH+]1CC(CNC(=O)CNC(=O)C2CC2)C1 ZINC001377958764 888027121 /nfs/dbraw/zinc/02/71/21/888027121.db2.gz FPSSMPBZXMKEEN-UHFFFAOYSA-N 1 2 296.371 -1.351 20 0 CAADLO CC[C@H](C(N)=O)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CNC(=O)OC ZINC001378025549 888028512 /nfs/dbraw/zinc/02/85/12/888028512.db2.gz NDVKNJFBSFOESO-LPEHRKFASA-N 1 2 298.343 -1.109 20 0 CAADLO CC[C@H](C(N)=O)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CNC(=O)OC ZINC001378025549 888028518 /nfs/dbraw/zinc/02/85/18/888028518.db2.gz NDVKNJFBSFOESO-LPEHRKFASA-N 1 2 298.343 -1.109 20 0 CAADLO C[C@H]1OCC[C@@H]1C(=O)NCC1C[NH+](CC(=O)NC(N)=O)C1 ZINC001378005284 888028785 /nfs/dbraw/zinc/02/87/85/888028785.db2.gz KVKZQYFXEYWTLI-SCZZXKLOSA-N 1 2 298.343 -1.346 20 0 CAADLO CN(C)C(=O)C[NH+]1CC(CNC(=O)CCCC(N)=O)C1 ZINC001378028432 888028889 /nfs/dbraw/zinc/02/88/89/888028889.db2.gz OMPAHGKRXOXVLZ-UHFFFAOYSA-N 1 2 284.360 -1.222 20 0 CAADLO C[C@@H]1OCC[C@@H]1C(=O)NCC1C[NH+](CC(=O)NC(N)=O)C1 ZINC001378005907 888030045 /nfs/dbraw/zinc/03/00/45/888030045.db2.gz KVKZQYFXEYWTLI-WPRPVWTQSA-N 1 2 298.343 -1.346 20 0 CAADLO CC(=O)NCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@H]1CCCNC1=O ZINC001378028149 888031036 /nfs/dbraw/zinc/03/10/36/888031036.db2.gz REGLOULXKCTJQP-SRVKXCTJSA-N 1 2 294.355 -1.314 20 0 CAADLO CC(=O)NCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2[C@H]1CCCNC1=O ZINC001378028149 888031050 /nfs/dbraw/zinc/03/10/50/888031050.db2.gz REGLOULXKCTJQP-SRVKXCTJSA-N 1 2 294.355 -1.314 20 0 CAADLO C[C@H](CNC(=O)Cn1ncnn1)[N@H+](C)Cc1cnnn1C ZINC001378039167 888031654 /nfs/dbraw/zinc/03/16/54/888031654.db2.gz DOMJGRVDFGFPRN-SECBINFHSA-N 1 2 293.335 -1.562 20 0 CAADLO C[C@H](CNC(=O)Cn1ncnn1)[N@@H+](C)Cc1cnnn1C ZINC001378039167 888031663 /nfs/dbraw/zinc/03/16/63/888031663.db2.gz DOMJGRVDFGFPRN-SECBINFHSA-N 1 2 293.335 -1.562 20 0 CAADLO C[C@@H](CNC(=O)Cn1cc[nH+]c1)NC(=O)[C@H]1C[C@H]1C(N)=O ZINC001378043880 888031938 /nfs/dbraw/zinc/03/19/38/888031938.db2.gz SCJGGUOPBWDHQO-AEJSXWLSSA-N 1 2 293.327 -1.375 20 0 CAADLO CO[C@H](C(=O)N[C@H]1CC[N@H+](CC(=O)NC(N)=O)C1)C1CC1 ZINC001378059409 888033110 /nfs/dbraw/zinc/03/31/10/888033110.db2.gz HKROLTBBJVRPDK-ONGXEEELSA-N 1 2 298.343 -1.203 20 0 CAADLO CO[C@H](C(=O)N[C@H]1CC[N@@H+](CC(=O)NC(N)=O)C1)C1CC1 ZINC001378059409 888033119 /nfs/dbraw/zinc/03/31/19/888033119.db2.gz HKROLTBBJVRPDK-ONGXEEELSA-N 1 2 298.343 -1.203 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)CNC(=O)C2CC2)C1 ZINC001378056586 888034595 /nfs/dbraw/zinc/03/45/95/888034595.db2.gz KYHIDIVXECQDIM-JTQLQIEISA-N 1 2 282.344 -1.551 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)CNC(=O)C2CC2)C1 ZINC001378056586 888034599 /nfs/dbraw/zinc/03/45/99/888034599.db2.gz KYHIDIVXECQDIM-JTQLQIEISA-N 1 2 282.344 -1.551 20 0 CAADLO CNC(=O)NCC(=O)NC[C@@H](C)[N@H+](C)Cc1cnnn1C ZINC001378056952 888034640 /nfs/dbraw/zinc/03/46/40/888034640.db2.gz WHPQUQWAWOYZRV-SECBINFHSA-N 1 2 297.363 -1.319 20 0 CAADLO CNC(=O)NCC(=O)NC[C@@H](C)[N@@H+](C)Cc1cnnn1C ZINC001378056952 888034644 /nfs/dbraw/zinc/03/46/44/888034644.db2.gz WHPQUQWAWOYZRV-SECBINFHSA-N 1 2 297.363 -1.319 20 0 CAADLO CCCC[C@@H](NC(N)=O)C(=O)N[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001378086162 888035245 /nfs/dbraw/zinc/03/52/45/888035245.db2.gz KDFBRHIZTLZIJE-VHSXEESVSA-N 1 2 299.375 -1.111 20 0 CAADLO CCCC[C@@H](NC(N)=O)C(=O)N[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001378086162 888035262 /nfs/dbraw/zinc/03/52/62/888035262.db2.gz KDFBRHIZTLZIJE-VHSXEESVSA-N 1 2 299.375 -1.111 20 0 CAADLO Cn1cc(C(=O)N[C@@H]2CC[N@H+](CC(=O)NC(N)=O)C2)cn1 ZINC001378100669 888035398 /nfs/dbraw/zinc/03/53/98/888035398.db2.gz NBWKXLREIMPEDU-SECBINFHSA-N 1 2 294.315 -1.581 20 0 CAADLO Cn1cc(C(=O)N[C@@H]2CC[N@@H+](CC(=O)NC(N)=O)C2)cn1 ZINC001378100669 888035415 /nfs/dbraw/zinc/03/54/15/888035415.db2.gz NBWKXLREIMPEDU-SECBINFHSA-N 1 2 294.315 -1.581 20 0 CAADLO CNC(=O)NC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H](C)OC)C1 ZINC001378058677 888035861 /nfs/dbraw/zinc/03/58/61/888035861.db2.gz QWAYGJGJXYSWKQ-IUCAKERBSA-N 1 2 286.332 -1.333 20 0 CAADLO CNC(=O)NC(=O)C[N@H+]1CC[C@H](NC(=O)[C@H](C)OC)C1 ZINC001378058677 888035871 /nfs/dbraw/zinc/03/58/71/888035871.db2.gz QWAYGJGJXYSWKQ-IUCAKERBSA-N 1 2 286.332 -1.333 20 0 CAADLO CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001378068146 888036058 /nfs/dbraw/zinc/03/60/58/888036058.db2.gz LKIWSSAPQKXCIP-DTWKUNHWSA-N 1 2 283.332 -2.006 20 0 CAADLO CCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001378068146 888036066 /nfs/dbraw/zinc/03/60/66/888036066.db2.gz LKIWSSAPQKXCIP-DTWKUNHWSA-N 1 2 283.332 -2.006 20 0 CAADLO CNS(=O)(=O)CC(=O)N[C@H]1CC[N@@H+]([C@@H](C)C(N)=O)C1 ZINC001378084578 888036331 /nfs/dbraw/zinc/03/63/31/888036331.db2.gz SJQCSQRPPPKCLY-YUMQZZPRSA-N 1 2 292.361 -2.400 20 0 CAADLO CNS(=O)(=O)CC(=O)N[C@H]1CC[N@H+]([C@@H](C)C(N)=O)C1 ZINC001378084578 888036338 /nfs/dbraw/zinc/03/63/38/888036338.db2.gz SJQCSQRPPPKCLY-YUMQZZPRSA-N 1 2 292.361 -2.400 20 0 CAADLO CNC(=O)NCC(=O)NC[C@H](C)[N@H+](C)Cc1cnnn1C ZINC001378056953 888036657 /nfs/dbraw/zinc/03/66/57/888036657.db2.gz WHPQUQWAWOYZRV-VIFPVBQESA-N 1 2 297.363 -1.319 20 0 CAADLO CNC(=O)NCC(=O)NC[C@H](C)[N@@H+](C)Cc1cnnn1C ZINC001378056953 888036673 /nfs/dbraw/zinc/03/66/73/888036673.db2.gz WHPQUQWAWOYZRV-VIFPVBQESA-N 1 2 297.363 -1.319 20 0 CAADLO NC(=O)NC(=O)C[N@@H+]1CC[C@@H](NC(=O)C[C@@H]2CCOC2)C1 ZINC001378103541 888036784 /nfs/dbraw/zinc/03/67/84/888036784.db2.gz QXQQGWFRXZSVQC-VHSXEESVSA-N 1 2 298.343 -1.202 20 0 CAADLO NC(=O)NC(=O)C[N@H+]1CC[C@@H](NC(=O)C[C@@H]2CCOC2)C1 ZINC001378103541 888036804 /nfs/dbraw/zinc/03/68/04/888036804.db2.gz QXQQGWFRXZSVQC-VHSXEESVSA-N 1 2 298.343 -1.202 20 0 CAADLO CC(=O)N(C)CC(=O)N(C)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001378143256 888040082 /nfs/dbraw/zinc/04/00/82/888040082.db2.gz RNTFNBZDHLPSFU-JTQLQIEISA-N 1 2 270.333 -1.517 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)CO[C@@H]2CCOC2)C1 ZINC001378114777 888039492 /nfs/dbraw/zinc/03/94/92/888039492.db2.gz POZQCBQLBUAIEB-NXEZZACHSA-N 1 2 271.317 -1.532 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)CO[C@@H]2CCOC2)C1 ZINC001378114777 888039506 /nfs/dbraw/zinc/03/95/06/888039506.db2.gz POZQCBQLBUAIEB-NXEZZACHSA-N 1 2 271.317 -1.532 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)COC[C@@H]2CCCO2)C1 ZINC001378136395 888039662 /nfs/dbraw/zinc/03/96/62/888039662.db2.gz COOSUPCLPGZOCM-MNOVXSKESA-N 1 2 285.344 -1.142 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)COC[C@@H]2CCCO2)C1 ZINC001378136395 888039674 /nfs/dbraw/zinc/03/96/74/888039674.db2.gz COOSUPCLPGZOCM-MNOVXSKESA-N 1 2 285.344 -1.142 20 0 CAADLO Cc1n[nH]cc1C(=O)N[C@@H]1CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001378115239 888039705 /nfs/dbraw/zinc/03/97/05/888039705.db2.gz GBRASGNWGRLCJX-MRVPVSSYSA-N 1 2 294.315 -1.283 20 0 CAADLO Cc1n[nH]cc1C(=O)N[C@@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001378115239 888039714 /nfs/dbraw/zinc/03/97/14/888039714.db2.gz GBRASGNWGRLCJX-MRVPVSSYSA-N 1 2 294.315 -1.283 20 0 CAADLO CC(=O)N(C)CC(=O)N(C)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001378143256 888040071 /nfs/dbraw/zinc/04/00/71/888040071.db2.gz RNTFNBZDHLPSFU-JTQLQIEISA-N 1 2 270.333 -1.517 20 0 CAADLO CC(=O)N[C@@H](C)C(=O)N(C)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001378137904 888040176 /nfs/dbraw/zinc/04/01/76/888040176.db2.gz LVVZXYZQRXYFAO-WPRPVWTQSA-N 1 2 270.333 -1.471 20 0 CAADLO CC(=O)N[C@@H](C)C(=O)N(C)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001378137904 888040188 /nfs/dbraw/zinc/04/01/88/888040188.db2.gz LVVZXYZQRXYFAO-WPRPVWTQSA-N 1 2 270.333 -1.471 20 0 CAADLO C[C@@H](CNC(=O)[C@H]1C[C@H]1C(N)=O)[N@H+](C)Cc1cnnn1C ZINC001378148816 888040483 /nfs/dbraw/zinc/04/04/83/888040483.db2.gz WEEWSVAUIUQWLG-GDPRMGEGSA-N 1 2 294.359 -1.127 20 0 CAADLO C[C@@H](CNC(=O)[C@H]1C[C@H]1C(N)=O)[N@@H+](C)Cc1cnnn1C ZINC001378148816 888040498 /nfs/dbraw/zinc/04/04/98/888040498.db2.gz WEEWSVAUIUQWLG-GDPRMGEGSA-N 1 2 294.359 -1.127 20 0 CAADLO CC[C@H](NC(C)=O)C(=O)N[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001378121019 888040905 /nfs/dbraw/zinc/04/09/05/888040905.db2.gz GVKPMAMRIDQDOS-ZJUUUORDSA-N 1 2 270.333 -1.423 20 0 CAADLO CC[C@H](NC(C)=O)C(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001378121019 888040920 /nfs/dbraw/zinc/04/09/20/888040920.db2.gz GVKPMAMRIDQDOS-ZJUUUORDSA-N 1 2 270.333 -1.423 20 0 CAADLO CC(=O)N(C)CC(=O)N(C)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001378143267 888040991 /nfs/dbraw/zinc/04/09/91/888040991.db2.gz RNTFNBZDHLPSFU-SNVBAGLBSA-N 1 2 270.333 -1.517 20 0 CAADLO CC(=O)N(C)CC(=O)N(C)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001378143267 888041004 /nfs/dbraw/zinc/04/10/04/888041004.db2.gz RNTFNBZDHLPSFU-SNVBAGLBSA-N 1 2 270.333 -1.517 20 0 CAADLO CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2nnn(C)n2)C1 ZINC001378116545 888041185 /nfs/dbraw/zinc/04/11/85/888041185.db2.gz XQIKVZTUMOVEEO-MRVPVSSYSA-N 1 2 281.320 -1.850 20 0 CAADLO CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2nnn(C)n2)C1 ZINC001378116545 888041190 /nfs/dbraw/zinc/04/11/90/888041190.db2.gz XQIKVZTUMOVEEO-MRVPVSSYSA-N 1 2 281.320 -1.850 20 0 CAADLO CC(C)NC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2nnn(C)n2)C1 ZINC001378113548 888041369 /nfs/dbraw/zinc/04/13/69/888041369.db2.gz GQWZPYSNFABZSG-SECBINFHSA-N 1 2 295.347 -1.461 20 0 CAADLO CC(C)NC(=O)C[N@H+]1CC[C@@H](NC(=O)c2nnn(C)n2)C1 ZINC001378113548 888041379 /nfs/dbraw/zinc/04/13/79/888041379.db2.gz GQWZPYSNFABZSG-SECBINFHSA-N 1 2 295.347 -1.461 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)CO[C@H]2CCOC2)C1 ZINC001378114779 888041643 /nfs/dbraw/zinc/04/16/43/888041643.db2.gz POZQCBQLBUAIEB-ZJUUUORDSA-N 1 2 271.317 -1.532 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)CO[C@H]2CCOC2)C1 ZINC001378114779 888041647 /nfs/dbraw/zinc/04/16/47/888041647.db2.gz POZQCBQLBUAIEB-ZJUUUORDSA-N 1 2 271.317 -1.532 20 0 CAADLO CN(C(=O)c1cnon1)[C@@H]1CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001378184890 888043386 /nfs/dbraw/zinc/04/33/86/888043386.db2.gz QDPBRTRPTNPMDO-SSDOTTSWSA-N 1 2 296.287 -1.589 20 0 CAADLO CN(C(=O)c1cnon1)[C@@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001378184890 888043394 /nfs/dbraw/zinc/04/33/94/888043394.db2.gz QDPBRTRPTNPMDO-SSDOTTSWSA-N 1 2 296.287 -1.589 20 0 CAADLO CCC(=O)NCC(=O)NC1(CCO)C[NH+](C[C@@H](C)O)C1 ZINC001378272627 888047244 /nfs/dbraw/zinc/04/72/44/888047244.db2.gz FSMBJWLTYDRXIN-SNVBAGLBSA-N 1 2 287.360 -1.554 20 0 CAADLO CC[C@@H](CNC(=O)[C@H](C)CC(N)=O)[NH2+]Cc1nnn(C)n1 ZINC001378290412 888047939 /nfs/dbraw/zinc/04/79/39/888047939.db2.gz QJYDFIOYZMFXHQ-BDAKNGLRSA-N 1 2 297.363 -1.294 20 0 CAADLO CC[C@H](CNC(=O)[C@@H](C)CC(N)=O)[NH2+]Cc1nnn(C)n1 ZINC001378290414 888048392 /nfs/dbraw/zinc/04/83/92/888048392.db2.gz QJYDFIOYZMFXHQ-DTWKUNHWSA-N 1 2 297.363 -1.294 20 0 CAADLO C[C@@H](O)C[NH+]1CC(CCO)(NC(=O)[C@@H]2COC(=O)N2)C1 ZINC001378278651 888048567 /nfs/dbraw/zinc/04/85/67/888048567.db2.gz IXDHDLSMMHEEOL-BDAKNGLRSA-N 1 2 287.316 -1.971 20 0 CAADLO C[C@H](O)C[NH+]1CC(CCO)(NC(=O)[C@@H]2COC(=O)N2)C1 ZINC001378278654 888048608 /nfs/dbraw/zinc/04/86/08/888048608.db2.gz IXDHDLSMMHEEOL-IUCAKERBSA-N 1 2 287.316 -1.971 20 0 CAADLO Cc1nnc(CC(=O)NC2(CCO)C[NH+](C[C@@H](C)O)C2)o1 ZINC001378278735 888049213 /nfs/dbraw/zinc/04/92/13/888049213.db2.gz KWCLVUNPNQOXHG-SECBINFHSA-N 1 2 298.343 -1.146 20 0 CAADLO CO[C@H](C)C[NH+]1CC(CCO)(NC(=O)Cn2cncn2)C1 ZINC001378354641 888049883 /nfs/dbraw/zinc/04/98/83/888049883.db2.gz KTPUHNPHDCGAOZ-LLVKDONJSA-N 1 2 297.359 -1.134 20 0 CAADLO O=C(NC1(CCO)C[NH+](CCCO)C1)[C@@H]1CNC(=O)N1 ZINC001378328254 888051998 /nfs/dbraw/zinc/05/19/98/888051998.db2.gz QCJXNHHIBCOMQM-VIFPVBQESA-N 1 2 286.332 -2.397 20 0 CAADLO NC(=O)[C@@H]1C[C@@H]1C(=O)NC1(CCO)C[NH+](CCCO)C1 ZINC001378326862 888052813 /nfs/dbraw/zinc/05/28/13/888052813.db2.gz SWIUVPHDNHAZPZ-ZJUUUORDSA-N 1 2 285.344 -1.957 20 0 CAADLO Cc1nonc1CC(=O)NC1(CCO)C[NH+](CCCO)C1 ZINC001378343464 888053138 /nfs/dbraw/zinc/05/31/38/888053138.db2.gz MNMHVLHOTOEQQO-UHFFFAOYSA-N 1 2 298.343 -1.144 20 0 CAADLO NC(=O)[C@H]1CC[C@@H]1C(=O)NC1(CCO)C[NH+](CCCO)C1 ZINC001378313876 888053222 /nfs/dbraw/zinc/05/32/22/888053222.db2.gz GLLSODZIHARGHN-QWRGUYRKSA-N 1 2 299.371 -1.567 20 0 CAADLO Cc1nnc(CC(=O)N[C@H](C)C2C[NH+]([C@@H](C)C(N)=O)C2)[nH]1 ZINC001378511315 888054317 /nfs/dbraw/zinc/05/43/17/888054317.db2.gz LRGJEALDIWEZOH-SFYZADRCSA-N 1 2 294.359 -1.034 20 0 CAADLO Cc1nnc(CC(=O)N[C@H](C)C2C[NH+]([C@H](C)C(N)=O)C2)[nH]1 ZINC001378511257 888054405 /nfs/dbraw/zinc/05/44/05/888054405.db2.gz LRGJEALDIWEZOH-HTQZYQBOSA-N 1 2 294.359 -1.034 20 0 CAADLO COCC(=O)N[C@@H](C)C1C[NH+](CC(=O)NC(N)=O)C1 ZINC001378478101 888055287 /nfs/dbraw/zinc/05/52/87/888055287.db2.gz QKTJQJOUGKBLCL-ZETCQYMHSA-N 1 2 272.305 -1.736 20 0 CAADLO C[C@@H](NC(=O)CN1CCOCC1)C1C[NH+](CC(N)=O)C1 ZINC001378493288 888055488 /nfs/dbraw/zinc/05/54/88/888055488.db2.gz HEJZWBYSYQQJFH-SNVBAGLBSA-N 1 2 284.360 -1.760 20 0 CAADLO C[C@H](NC(=O)c1ccon1)C1C[NH+](CC(=O)NC(N)=O)C1 ZINC001378497685 888057089 /nfs/dbraw/zinc/05/70/89/888057089.db2.gz WZHPOJHEBSXJQI-ZETCQYMHSA-N 1 2 295.299 -1.080 20 0 CAADLO CNC(=O)C[NH+]1CC([C@H](C)NC(=O)CO[C@H]2CCOC2)C1 ZINC001378516076 888057456 /nfs/dbraw/zinc/05/74/56/888057456.db2.gz RSGCQHUIQVRHMY-JQWIXIFHSA-N 1 2 299.371 -1.026 20 0 CAADLO C[C@H](NC(=O)c1cnco1)C1C[NH+](CC(=O)NC(N)=O)C1 ZINC001378535542 888060044 /nfs/dbraw/zinc/06/00/44/888060044.db2.gz SGRXCPDQAKQGFN-ZETCQYMHSA-N 1 2 295.299 -1.080 20 0 CAADLO COC[C@H](O)C[N@@H+]1CCO[C@@H](CNC(=O)c2cn[nH]c2)C1 ZINC001378644539 888061243 /nfs/dbraw/zinc/06/12/43/888061243.db2.gz NXHSSRBWGMKERS-NEPJUHHUSA-N 1 2 298.343 -1.152 20 0 CAADLO COC[C@H](O)C[N@H+]1CCO[C@@H](CNC(=O)c2cn[nH]c2)C1 ZINC001378644539 888061262 /nfs/dbraw/zinc/06/12/62/888061262.db2.gz NXHSSRBWGMKERS-NEPJUHHUSA-N 1 2 298.343 -1.152 20 0 CAADLO COCC(=O)NCC1(NC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001378598557 888061914 /nfs/dbraw/zinc/06/19/14/888061914.db2.gz WXQUXQSOXJLWFY-SNVBAGLBSA-N 1 2 285.344 -1.272 20 0 CAADLO COCC(=O)NCC1(NC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001378598557 888061923 /nfs/dbraw/zinc/06/19/23/888061923.db2.gz WXQUXQSOXJLWFY-SNVBAGLBSA-N 1 2 285.344 -1.272 20 0 CAADLO COCC(=O)NCC1(NC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001378598552 888062175 /nfs/dbraw/zinc/06/21/75/888062175.db2.gz WXQUXQSOXJLWFY-JTQLQIEISA-N 1 2 285.344 -1.272 20 0 CAADLO COCC(=O)NCC1(NC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001378598552 888062194 /nfs/dbraw/zinc/06/21/94/888062194.db2.gz WXQUXQSOXJLWFY-JTQLQIEISA-N 1 2 285.344 -1.272 20 0 CAADLO CCS(=O)(=O)CC(=O)N[C@H](C)C1C[NH+](CCO)C1 ZINC001378588545 888062991 /nfs/dbraw/zinc/06/29/91/888062991.db2.gz QPYKCGWMLIHVFK-SECBINFHSA-N 1 2 278.374 -1.150 20 0 CAADLO C[C@H](NC(=O)CCc1cn(C)nn1)C1C[NH+](CC(N)=O)C1 ZINC001378584605 888064184 /nfs/dbraw/zinc/06/41/84/888064184.db2.gz BLVURMDWNJPWLP-VIFPVBQESA-N 1 2 294.359 -1.331 20 0 CAADLO O=C(CCN1CCCC1=O)NC[C@@H]1C[N@H+](CCO)CCO1 ZINC001378666204 888065054 /nfs/dbraw/zinc/06/50/54/888065054.db2.gz HGRHJKJEYLDEHH-GFCCVEGCSA-N 1 2 299.371 -1.192 20 0 CAADLO O=C(CCN1CCCC1=O)NC[C@@H]1C[N@@H+](CCO)CCO1 ZINC001378666204 888065072 /nfs/dbraw/zinc/06/50/72/888065072.db2.gz HGRHJKJEYLDEHH-GFCCVEGCSA-N 1 2 299.371 -1.192 20 0 CAADLO Cc1[nH+]c[nH]c1CC(=O)NC[C@H]1CN(CC(N)=O)CCO1 ZINC001378671458 888065373 /nfs/dbraw/zinc/06/53/73/888065373.db2.gz QQJVQGUBVLSMIB-JTQLQIEISA-N 1 2 295.343 -1.437 20 0 CAADLO CC1(C)C[N@H+](CC(N)=O)C[C@@H]1NC(=O)CCCC(N)=O ZINC001378685915 888065412 /nfs/dbraw/zinc/06/54/12/888065412.db2.gz ZYDALAOAYFNJLV-VIFPVBQESA-N 1 2 284.360 -1.046 20 0 CAADLO CC1(C)C[N@@H+](CC(N)=O)C[C@@H]1NC(=O)CCCC(N)=O ZINC001378685915 888065424 /nfs/dbraw/zinc/06/54/24/888065424.db2.gz ZYDALAOAYFNJLV-VIFPVBQESA-N 1 2 284.360 -1.046 20 0 CAADLO CC1(C)C[N@H+](CC(N)=O)C[C@H]1NC(=O)CCCC(N)=O ZINC001378685911 888065586 /nfs/dbraw/zinc/06/55/86/888065586.db2.gz ZYDALAOAYFNJLV-SECBINFHSA-N 1 2 284.360 -1.046 20 0 CAADLO CC1(C)C[N@@H+](CC(N)=O)C[C@H]1NC(=O)CCCC(N)=O ZINC001378685911 888065599 /nfs/dbraw/zinc/06/55/99/888065599.db2.gz ZYDALAOAYFNJLV-SECBINFHSA-N 1 2 284.360 -1.046 20 0 CAADLO C[C@@H](C(N)=O)N1CCO[C@@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001378665128 888065938 /nfs/dbraw/zinc/06/59/38/888065938.db2.gz AYZSKEJQWSKIHB-UWVGGRQHSA-N 1 2 295.343 -1.357 20 0 CAADLO COC(=O)NCC(=O)N[C@H]1C[N@H+](CC(N)=O)CC1(C)C ZINC001378656024 888066976 /nfs/dbraw/zinc/06/69/76/888066976.db2.gz XNERHRQVKOHABE-QMMMGPOBSA-N 1 2 286.332 -1.346 20 0 CAADLO COC(=O)NCC(=O)N[C@H]1C[N@@H+](CC(N)=O)CC1(C)C ZINC001378656024 888066991 /nfs/dbraw/zinc/06/69/91/888066991.db2.gz XNERHRQVKOHABE-QMMMGPOBSA-N 1 2 286.332 -1.346 20 0 CAADLO Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]1CN(CC(N)=O)CCO1 ZINC001378671461 888067377 /nfs/dbraw/zinc/06/73/77/888067377.db2.gz QQJVQGUBVLSMIB-SNVBAGLBSA-N 1 2 295.343 -1.437 20 0 CAADLO COC[C@H](OC)C(=O)N[C@H]1C[N@H+](CC(N)=O)CC1(C)C ZINC001378652932 888067489 /nfs/dbraw/zinc/06/74/89/888067489.db2.gz MRPIANMSAPQCBZ-UWVGGRQHSA-N 1 2 287.360 -1.040 20 0 CAADLO COC[C@H](OC)C(=O)N[C@H]1C[N@@H+](CC(N)=O)CC1(C)C ZINC001378652932 888067499 /nfs/dbraw/zinc/06/74/99/888067499.db2.gz MRPIANMSAPQCBZ-UWVGGRQHSA-N 1 2 287.360 -1.040 20 0 CAADLO C[C@H](C(N)=O)N1CCO[C@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001378684987 888067788 /nfs/dbraw/zinc/06/77/88/888067788.db2.gz LHLGZRSWUTXVCA-MWLCHTKSSA-N 1 2 295.343 -1.357 20 0 CAADLO O=C(C[C@@H]1CCC(=O)N1)NC[C@@H]1C[N@H+](CCO)CCO1 ZINC001378671027 888068029 /nfs/dbraw/zinc/06/80/29/888068029.db2.gz LUMSFSDCSQARGY-WDEREUQCSA-N 1 2 285.344 -1.536 20 0 CAADLO O=C(C[C@@H]1CCC(=O)N1)NC[C@@H]1C[N@@H+](CCO)CCO1 ZINC001378671027 888068047 /nfs/dbraw/zinc/06/80/47/888068047.db2.gz LUMSFSDCSQARGY-WDEREUQCSA-N 1 2 285.344 -1.536 20 0 CAADLO CNC(=O)C[N@@H+](C)CCN(C)C(=O)c1cnn(C)c1N ZINC001379045116 888077919 /nfs/dbraw/zinc/07/79/19/888077919.db2.gz WNANDHRQIFENSZ-UHFFFAOYSA-N 1 2 282.348 -1.248 20 0 CAADLO CNC(=O)C[N@H+](C)CCN(C)C(=O)c1cnn(C)c1N ZINC001379045116 888077903 /nfs/dbraw/zinc/07/79/03/888077903.db2.gz WNANDHRQIFENSZ-UHFFFAOYSA-N 1 2 282.348 -1.248 20 0 CAADLO CNC(=O)C[N@H+](C)CCN(C)C(=O)[C@H]1C[C@H]1C(=O)OC ZINC001379030614 888080543 /nfs/dbraw/zinc/08/05/43/888080543.db2.gz WQOAMUWRZLYUGZ-VHSXEESVSA-N 1 2 285.344 -1.068 20 0 CAADLO CNC(=O)C[N@@H+](C)CCN(C)C(=O)[C@H]1C[C@H]1C(=O)OC ZINC001379030614 888080561 /nfs/dbraw/zinc/08/05/61/888080561.db2.gz WQOAMUWRZLYUGZ-VHSXEESVSA-N 1 2 285.344 -1.068 20 0 CAADLO CN(CC[N@H+](C)CC(N)=O)C(=O)COCc1nccn1C ZINC001379060380 888081529 /nfs/dbraw/zinc/08/15/29/888081529.db2.gz MTERLNOJRZCWKZ-UHFFFAOYSA-N 1 2 297.359 -1.188 20 0 CAADLO CN(CC[N@@H+](C)CC(N)=O)C(=O)COCc1nccn1C ZINC001379060380 888081544 /nfs/dbraw/zinc/08/15/44/888081544.db2.gz MTERLNOJRZCWKZ-UHFFFAOYSA-N 1 2 297.359 -1.188 20 0 CAADLO CN(CC[N@H+](C)CC(N)=O)C(=O)CN1CCCNC1=O ZINC001379071919 888084586 /nfs/dbraw/zinc/08/45/86/888084586.db2.gz ATMNGGOYSFZUCE-UHFFFAOYSA-N 1 2 285.348 -1.723 20 0 CAADLO CN(CC[N@@H+](C)CC(N)=O)C(=O)CN1CCCNC1=O ZINC001379071919 888084600 /nfs/dbraw/zinc/08/46/00/888084600.db2.gz ATMNGGOYSFZUCE-UHFFFAOYSA-N 1 2 285.348 -1.723 20 0 CAADLO CN(CC[N@H+](C)CC(N)=O)C(=O)c1coc(C(N)=O)c1 ZINC001379070565 888085574 /nfs/dbraw/zinc/08/55/74/888085574.db2.gz ICHFNCHWOVJIPM-UHFFFAOYSA-N 1 2 282.300 -1.132 20 0 CAADLO CN(CC[N@@H+](C)CC(N)=O)C(=O)c1coc(C(N)=O)c1 ZINC001379070565 888085588 /nfs/dbraw/zinc/08/55/88/888085588.db2.gz ICHFNCHWOVJIPM-UHFFFAOYSA-N 1 2 282.300 -1.132 20 0 CAADLO CCNC(=O)C[N@H+](C)CCN(C)C(=O)[C@H]1CNC(=O)N1 ZINC001379089340 888086379 /nfs/dbraw/zinc/08/63/79/888086379.db2.gz OWUWQFBZPIJKAS-SECBINFHSA-N 1 2 285.348 -1.806 20 0 CAADLO CCNC(=O)C[N@@H+](C)CCN(C)C(=O)[C@H]1CNC(=O)N1 ZINC001379089340 888086390 /nfs/dbraw/zinc/08/63/90/888086390.db2.gz OWUWQFBZPIJKAS-SECBINFHSA-N 1 2 285.348 -1.806 20 0 CAADLO Cn1ccc(C[NH2+]C[C@H](O)CNC(=O)c2cnn[nH]2)n1 ZINC001379208887 888104664 /nfs/dbraw/zinc/10/46/64/888104664.db2.gz RLVFECRUMRZIPT-VIFPVBQESA-N 1 2 279.304 -1.581 20 0 CAADLO Cc1cc(C[NH2+]C[C@H](O)CNC(=O)c2cn[nH]n2)no1 ZINC001379211863 888106031 /nfs/dbraw/zinc/10/60/31/888106031.db2.gz ZFYMZEZFMZCLIW-VIFPVBQESA-N 1 2 280.288 -1.018 20 0 CAADLO Cc1cc(C[NH2+]C[C@H](O)CNC(=O)c2cnn[nH]2)no1 ZINC001379211863 888106035 /nfs/dbraw/zinc/10/60/35/888106035.db2.gz ZFYMZEZFMZCLIW-VIFPVBQESA-N 1 2 280.288 -1.018 20 0 CAADLO Cn1cnnc1C[NH2+]C[C@H](O)CNC(=O)c1cn[nH]n1 ZINC001379204676 888106095 /nfs/dbraw/zinc/10/60/95/888106095.db2.gz HIOKBZWAPJCGIB-ZETCQYMHSA-N 1 2 280.292 -2.186 20 0 CAADLO Cn1cnnc1C[NH2+]C[C@H](O)CNC(=O)c1cnn[nH]1 ZINC001379204676 888106097 /nfs/dbraw/zinc/10/60/97/888106097.db2.gz HIOKBZWAPJCGIB-ZETCQYMHSA-N 1 2 280.292 -2.186 20 0 CAADLO Cc1nn[nH]c1C(=O)NC[C@H](O)C[NH2+]Cc1csnn1 ZINC001379225381 888108007 /nfs/dbraw/zinc/10/80/07/888108007.db2.gz SVSFOUSMGWRXJO-MRVPVSSYSA-N 1 2 297.344 -1.155 20 0 CAADLO Cc1nonc1C[NH2+][C@@H](CO)CNC(=O)C1=COCCO1 ZINC001379352773 888124371 /nfs/dbraw/zinc/12/43/71/888124371.db2.gz ALGKPRQCDMKEHE-SECBINFHSA-N 1 2 298.299 -1.167 20 0 CAADLO CC(=O)NCC(=O)NC[C@@H](CO)[NH2+][C@H](C)c1nncn1C ZINC001379346857 888125190 /nfs/dbraw/zinc/12/51/90/888125190.db2.gz DRWPTGPWORDCSB-SCZZXKLOSA-N 1 2 298.347 -1.921 20 0 CAADLO Cc1ccoc1C(=O)NC[C@@H](CO)[NH2+]Cc1nnnn1C ZINC001379350339 888125626 /nfs/dbraw/zinc/12/56/26/888125626.db2.gz NFUUYRTUEDBFLI-VIFPVBQESA-N 1 2 294.315 -1.008 20 0 CAADLO O=C(CN1CCCC1=O)NC[C@@H](CO)[NH2+]Cc1ccon1 ZINC001379350390 888125765 /nfs/dbraw/zinc/12/57/65/888125765.db2.gz BKLHTAQULALHCQ-NSHDSACASA-N 1 2 296.327 -1.136 20 0 CAADLO COCC(=O)NC[C@H](CO)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001379337726 888125839 /nfs/dbraw/zinc/12/58/39/888125839.db2.gz WZALJZDXVXJIJV-SSDOTTSWSA-N 1 2 273.293 -2.679 20 0 CAADLO CC(C)CC(=O)NC[C@H](CO)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001379347411 888125868 /nfs/dbraw/zinc/12/58/68/888125868.db2.gz GDUYRTORYTXHNY-SECBINFHSA-N 1 2 285.348 -1.279 20 0 CAADLO Cc1ccoc1C(=O)NC[C@H](CO)[NH2+]Cc1nnnn1C ZINC001379350337 888125889 /nfs/dbraw/zinc/12/58/89/888125889.db2.gz NFUUYRTUEDBFLI-SECBINFHSA-N 1 2 294.315 -1.008 20 0 CAADLO C[C@H](C[NH2+]Cc1cnsn1)NC(=O)Cn1cnnn1 ZINC001379338571 888126295 /nfs/dbraw/zinc/12/62/95/888126295.db2.gz STZQCTLYJQMVPE-SSDOTTSWSA-N 1 2 282.333 -1.181 20 0 CAADLO O=C(CN1CCCC1=O)NC[C@H](CO)[NH2+]Cc1ccon1 ZINC001379350388 888126317 /nfs/dbraw/zinc/12/63/17/888126317.db2.gz BKLHTAQULALHCQ-LLVKDONJSA-N 1 2 296.327 -1.136 20 0 CAADLO Cn1cnnc1C[NH2+][C@H](CO)CNC(=O)c1ccnn1C ZINC001379361066 888127670 /nfs/dbraw/zinc/12/76/70/888127670.db2.gz IEWKEXFPFWRPJE-VIFPVBQESA-N 1 2 293.331 -1.571 20 0 CAADLO Cn1nnnc1C[NH2+][C@@H](CO)CNC(=O)c1cn[nH]c1 ZINC001379358680 888127966 /nfs/dbraw/zinc/12/79/66/888127966.db2.gz GORMBGCRYLZYEX-MRVPVSSYSA-N 1 2 280.292 -2.186 20 0 CAADLO Cn1cnnc1C[NH2+][C@@H](CO)CNC(=O)c1ccn[nH]1 ZINC001379360618 888128271 /nfs/dbraw/zinc/12/82/71/888128271.db2.gz JCXNUQCRYVCOBM-MRVPVSSYSA-N 1 2 279.304 -1.581 20 0 CAADLO C[C@H](C[NH2+]Cc1csnn1)NC(=O)Cn1ncnn1 ZINC001379356376 888129118 /nfs/dbraw/zinc/12/91/18/888129118.db2.gz RSEMYFDJGZIZSG-SSDOTTSWSA-N 1 2 282.333 -1.181 20 0 CAADLO CC[C@H](OC)C(=O)NC[C@H](CO)[NH2+]Cc1cnn(C)n1 ZINC001379373722 888130682 /nfs/dbraw/zinc/13/06/82/888130682.db2.gz ZUURHLBROCCIRE-MNOVXSKESA-N 1 2 285.348 -1.193 20 0 CAADLO Cn1nccc1C(=O)NC[C@H](CO)[NH2+]Cc1nnnn1C ZINC001379368821 888130966 /nfs/dbraw/zinc/13/09/66/888130966.db2.gz RWBNWCLXFIIOEX-MRVPVSSYSA-N 1 2 294.319 -2.176 20 0 CAADLO CO[C@@H](C)C(=O)NC[C@@H](CO)[NH2+]Cc1nnnn1C1CC1 ZINC001379365150 888131172 /nfs/dbraw/zinc/13/11/72/888131172.db2.gz RFXBVVBDDYGROX-IUCAKERBSA-N 1 2 298.347 -1.390 20 0 CAADLO CCO[C@@H](C)C(=O)NC[C@H](CO)[NH2+]Cc1cnn(C)n1 ZINC001379372813 888131273 /nfs/dbraw/zinc/13/12/73/888131273.db2.gz YEAPHXDIBVYPSB-GXSJLCMTSA-N 1 2 285.348 -1.193 20 0 CAADLO Cn1ncnc1C[NH2+][C@@H](CO)CNC(=O)c1cnsn1 ZINC001379368922 888131482 /nfs/dbraw/zinc/13/14/82/888131482.db2.gz WVAUODVIZXTRNW-SSDOTTSWSA-N 1 2 297.344 -1.453 20 0 CAADLO CS[C@@H](C)C(=O)NC[C@H](CO)[NH2+]Cc1nnnn1C ZINC001379366515 888132132 /nfs/dbraw/zinc/13/21/32/888132132.db2.gz RLSSQLBPGQGUFW-JGVFFNPUSA-N 1 2 288.377 -1.472 20 0 CAADLO Cn1[nH]c(C[NH2+][C@H](CO)CNC(=O)CCC2CC2)nc1=O ZINC001379375618 888134270 /nfs/dbraw/zinc/13/42/70/888134270.db2.gz VTPARYVWRWPPQF-JTQLQIEISA-N 1 2 297.359 -1.135 20 0 CAADLO Cn1[nH]c(C[NH2+][C@@H](CO)CNC(=O)CCC2CC2)nc1=O ZINC001379375619 888134543 /nfs/dbraw/zinc/13/45/43/888134543.db2.gz VTPARYVWRWPPQF-SNVBAGLBSA-N 1 2 297.359 -1.135 20 0 CAADLO Cc1nnc(C[NH2+][C@H](CO)CNC(=O)[C@H](O)C(C)C)[nH]1 ZINC001379396403 888136711 /nfs/dbraw/zinc/13/67/11/888136711.db2.gz MHNKDYFYPWZCOI-GXSJLCMTSA-N 1 2 285.348 -1.303 20 0 CAADLO CO[C@H](C(=O)NC[C@H](CO)[NH2+]Cc1cn(C)nn1)C1CC1 ZINC001379394530 888136395 /nfs/dbraw/zinc/13/63/95/888136395.db2.gz WSPPULCLOZUBCS-NEPJUHHUSA-N 1 2 297.359 -1.193 20 0 CAADLO CO[C@H](C(=O)NC[C@@H](CO)[NH2+]Cc1cn(C)nn1)C1CC1 ZINC001379394538 888137120 /nfs/dbraw/zinc/13/71/20/888137120.db2.gz WSPPULCLOZUBCS-RYUDHWBXSA-N 1 2 297.359 -1.193 20 0 CAADLO Cc1nonc1C[NH2+][C@@H](CO)CNC(=O)[C@]12C[C@H]1COC2 ZINC001379396441 888137482 /nfs/dbraw/zinc/13/74/82/888137482.db2.gz KYJYZILCHNUNAY-CWSCBRNRSA-N 1 2 296.327 -1.019 20 0 CAADLO CCn1ncnc1C[NH2+][C@@H](CO)CNC(=O)[C@H](O)C(C)C ZINC001379395865 888137549 /nfs/dbraw/zinc/13/75/49/888137549.db2.gz KNGRQJPGELNEGX-ZYHUDNBSSA-N 1 2 299.375 -1.118 20 0 CAADLO Cc1nnc(C[NH2+][C@@H](CO)CNC(=O)c2cn(C)nn2)[nH]1 ZINC001379398578 888137806 /nfs/dbraw/zinc/13/78/06/888137806.db2.gz UWOKZSGDZAGTQC-MRVPVSSYSA-N 1 2 294.319 -1.878 20 0 CAADLO Cn1cnc(C(=O)NC[C@H](CO)[NH2+]Cc2cn(C)nn2)n1 ZINC001379399393 888137841 /nfs/dbraw/zinc/13/78/41/888137841.db2.gz WBOJVGRAQSXNAS-SECBINFHSA-N 1 2 294.319 -2.176 20 0 CAADLO Cn1ncnc1C[NH2+][C@H](CO)CNC(=O)[C@@H]1COC(=O)N1 ZINC001379394661 888137907 /nfs/dbraw/zinc/13/79/07/888137907.db2.gz HRXWOPQRVGVKSL-YUMQZZPRSA-N 1 2 298.303 -2.510 20 0 CAADLO Cn1ncnc1C[NH2+][C@@H](CO)CNC(=O)[C@H]1COC(=O)N1 ZINC001379394648 888138242 /nfs/dbraw/zinc/13/82/42/888138242.db2.gz HRXWOPQRVGVKSL-HTQZYQBOSA-N 1 2 298.303 -2.510 20 0 CAADLO Cc1nnc(C[NH2+][C@@H](CO)CNC(=O)[C@]23C[C@H]2COC3)[nH]1 ZINC001379393228 888138277 /nfs/dbraw/zinc/13/82/77/888138277.db2.gz DFTKLMYBHVLKEV-CWSCBRNRSA-N 1 2 295.343 -1.284 20 0 CAADLO C[C@H]([NH2+][C@@H](CO)CNC(=O)c1ncc[nH]1)c1nnnn1C ZINC001379398410 888138300 /nfs/dbraw/zinc/13/83/00/888138300.db2.gz AJGPQXQUYOWAAZ-JGVFFNPUSA-N 1 2 294.319 -1.625 20 0 CAADLO Cn1nnnc1C[NH2+][C@@H](CO)CNC(=O)c1cncnc1 ZINC001379396947 888138412 /nfs/dbraw/zinc/13/84/12/888138412.db2.gz RFNYLWVBHLPABB-SECBINFHSA-N 1 2 292.303 -2.119 20 0 CAADLO Cn1nnnc1C[NH2+][C@H](CO)CNC(=O)c1cncnc1 ZINC001379396954 888138460 /nfs/dbraw/zinc/13/84/60/888138460.db2.gz RFNYLWVBHLPABB-VIFPVBQESA-N 1 2 292.303 -2.119 20 0 CAADLO O=C(NC[C@@H](CO)[NH2+]Cc1ccon1)[C@@H]1CCC(=O)NC1 ZINC001379434996 888142594 /nfs/dbraw/zinc/14/25/94/888142594.db2.gz NRJYREXUAZJXSQ-KOLCDFICSA-N 1 2 296.327 -1.233 20 0 CAADLO O=C(NC[C@H](CO)[NH2+]Cc1ccon1)[C@H]1CCC(=O)NC1 ZINC001379434990 888143657 /nfs/dbraw/zinc/14/36/57/888143657.db2.gz NRJYREXUAZJXSQ-GXSJLCMTSA-N 1 2 296.327 -1.233 20 0 CAADLO Cn1nnc(C(=O)NC[C@H](CO)[NH2+]Cc2ccon2)n1 ZINC001379467687 888149469 /nfs/dbraw/zinc/14/94/69/888149469.db2.gz QFVMVLGWSJKJDU-MRVPVSSYSA-N 1 2 281.276 -1.921 20 0 CAADLO O=C(NC[C@@H](CO)[NH2+]Cc1cscn1)[C@@H]1CNC(=O)N1 ZINC001379474819 888149661 /nfs/dbraw/zinc/14/96/61/888149661.db2.gz GSCILHZYYHRUQJ-CBAPKCEASA-N 1 2 299.356 -1.609 20 0 CAADLO O=C(NC[C@@H](CO)[NH2+]Cc1cscn1)[C@H]1CNC(=O)N1 ZINC001379474822 888149748 /nfs/dbraw/zinc/14/97/48/888149748.db2.gz GSCILHZYYHRUQJ-IONNQARKSA-N 1 2 299.356 -1.609 20 0 CAADLO O=C(NC[C@H](CO)[NH2+]Cc1cscn1)[C@H]1CNC(=O)N1 ZINC001379474825 888151178 /nfs/dbraw/zinc/15/11/78/888151178.db2.gz GSCILHZYYHRUQJ-VXNVDRBHSA-N 1 2 299.356 -1.609 20 0 CAADLO Cn1ncc(C(=O)NC[C@H](CO)[NH2+]Cc2nncn2C)n1 ZINC001379493600 888154746 /nfs/dbraw/zinc/15/47/46/888154746.db2.gz AZWJZVJKPJEXNU-MRVPVSSYSA-N 1 2 294.319 -2.176 20 0 CAADLO Cc1oncc1C[NH2+][C@@H](CO)CNC(=O)Cc1nnc[nH]1 ZINC001379510057 888156745 /nfs/dbraw/zinc/15/67/45/888156745.db2.gz RKURNQKRKIMFRE-SNVBAGLBSA-N 1 2 294.315 -1.089 20 0 CAADLO Cc1nnc(C[NH2+][C@@H](CO)CNC(=O)c2cccnn2)[nH]1 ZINC001379498853 888156852 /nfs/dbraw/zinc/15/68/52/888156852.db2.gz SWQOZBDDEDWKSX-SECBINFHSA-N 1 2 291.315 -1.216 20 0 CAADLO Cn1ccc(C[NH2+][C@@H](CO)CNC(=O)Cc2nc[nH]n2)n1 ZINC001379510873 888157598 /nfs/dbraw/zinc/15/75/98/888157598.db2.gz TWKYVBGXWHDLCS-SNVBAGLBSA-N 1 2 293.331 -1.652 20 0 CAADLO Cn1ncnc1C[NH2+][C@H](CO)CNC(=O)Cn1cncn1 ZINC001379523801 888159925 /nfs/dbraw/zinc/15/99/25/888159925.db2.gz CPPSDQQXHRHYOK-VIFPVBQESA-N 1 2 294.319 -2.327 20 0 CAADLO Cc1nonc1C[NH2+][C@H](CO)CNC(=O)Cn1cncn1 ZINC001379526848 888161039 /nfs/dbraw/zinc/16/10/39/888161039.db2.gz ONQIQCLROOPUHQ-VIFPVBQESA-N 1 2 295.303 -1.764 20 0 CAADLO Cc1nonc1C(=O)NC[C@@H](CO)[NH2+]Cc1ncnn1C ZINC001379537218 888162644 /nfs/dbraw/zinc/16/26/44/888162644.db2.gz KFQXKUAWHCTIKZ-QMMMGPOBSA-N 1 2 295.303 -1.613 20 0 CAADLO Cc1nonc1C(=O)NC[C@H](CO)[NH2+]Cc1ncnn1C ZINC001379537215 888164426 /nfs/dbraw/zinc/16/44/26/888164426.db2.gz KFQXKUAWHCTIKZ-MRVPVSSYSA-N 1 2 295.303 -1.613 20 0 CAADLO CC(=O)N[C@@H](C)C[N@H+](C)CC(=O)N1CCNC(=O)C1 ZINC001379625470 888168061 /nfs/dbraw/zinc/16/80/61/888168061.db2.gz XEPAGPVAZXVBAL-VIFPVBQESA-N 1 2 270.333 -1.599 20 0 CAADLO CC(=O)N[C@@H](C)C[N@@H+](C)CC(=O)N1CCNC(=O)C1 ZINC001379625470 888168063 /nfs/dbraw/zinc/16/80/63/888168063.db2.gz XEPAGPVAZXVBAL-VIFPVBQESA-N 1 2 270.333 -1.599 20 0 CAADLO C[C@@H](C[N@H+](C)Cc1cnnn1C)NC(=O)[C@@H]1CNC(=O)N1 ZINC001379745870 888171567 /nfs/dbraw/zinc/17/15/67/888171567.db2.gz UOXSIHMNPJMLKC-WPRPVWTQSA-N 1 2 295.347 -1.567 20 0 CAADLO C[C@@H](C[N@@H+](C)Cc1cnnn1C)NC(=O)[C@@H]1CNC(=O)N1 ZINC001379745870 888171578 /nfs/dbraw/zinc/17/15/78/888171578.db2.gz UOXSIHMNPJMLKC-WPRPVWTQSA-N 1 2 295.347 -1.567 20 0 CAADLO CC[C@@H]([NH2+]C[C@H](O)CN(C)C(=O)Cc1ncn[nH]1)C(N)=O ZINC001379852355 888175947 /nfs/dbraw/zinc/17/59/47/888175947.db2.gz GMKPPBSKKDREEK-DTWKUNHWSA-N 1 2 298.347 -1.980 20 0 CAADLO CC(=O)N(C)C[C@@H](O)C[N@H+](C)Cc1nc(=O)n(C)[nH]1 ZINC001379864765 888179011 /nfs/dbraw/zinc/17/90/11/888179011.db2.gz HGQJZSLKQUNNNJ-VIFPVBQESA-N 1 2 271.321 -1.621 20 0 CAADLO CC(=O)N(C)C[C@@H](O)C[N@@H+](C)Cc1nc(=O)n(C)[nH]1 ZINC001379864765 888179017 /nfs/dbraw/zinc/17/90/17/888179017.db2.gz HGQJZSLKQUNNNJ-VIFPVBQESA-N 1 2 271.321 -1.621 20 0 CAADLO CCc1cc(C(=O)N(C)C[C@@H](O)C[N@H+](C)CC(N)=O)n[nH]1 ZINC001379910784 888179097 /nfs/dbraw/zinc/17/90/97/888179097.db2.gz NNRSLVBPLYFMFZ-JTQLQIEISA-N 1 2 297.359 -1.178 20 0 CAADLO CCc1cc(C(=O)N(C)C[C@@H](O)C[N@@H+](C)CC(N)=O)n[nH]1 ZINC001379910784 888179105 /nfs/dbraw/zinc/17/91/05/888179105.db2.gz NNRSLVBPLYFMFZ-JTQLQIEISA-N 1 2 297.359 -1.178 20 0 CAADLO CC(=O)N(C)CC(=O)NC[C@H]1CC[N@@H+]1[C@@H]1CCNC1=O ZINC001379946526 888182329 /nfs/dbraw/zinc/18/23/29/888182329.db2.gz AJWUYPRBAHDQPA-GHMZBOCLSA-N 1 2 282.344 -1.456 20 0 CAADLO CC(=O)N(C)CC(=O)NC[C@H]1CC[N@H+]1[C@@H]1CCNC1=O ZINC001379946526 888182338 /nfs/dbraw/zinc/18/23/38/888182338.db2.gz AJWUYPRBAHDQPA-GHMZBOCLSA-N 1 2 282.344 -1.456 20 0 CAADLO CCC(=O)NCC(=O)NC[C@H]1CC[N@@H+]1CC(=O)N(C)C ZINC001379945613 888182664 /nfs/dbraw/zinc/18/26/64/888182664.db2.gz ACOUBDLTUUHKIK-SNVBAGLBSA-N 1 2 284.360 -1.209 20 0 CAADLO CCC(=O)NCC(=O)NC[C@H]1CC[N@H+]1CC(=O)N(C)C ZINC001379945613 888182675 /nfs/dbraw/zinc/18/26/75/888182675.db2.gz ACOUBDLTUUHKIK-SNVBAGLBSA-N 1 2 284.360 -1.209 20 0 CAADLO O=C(CCn1ccnn1)NC[C@@H]1CC[N@@H+]1[C@@H]1CCNC1=O ZINC001379949345 888182697 /nfs/dbraw/zinc/18/26/97/888182697.db2.gz DVFIJFWGIKCZFX-WDEREUQCSA-N 1 2 292.343 -1.253 20 0 CAADLO O=C(CCn1ccnn1)NC[C@@H]1CC[N@H+]1[C@@H]1CCNC1=O ZINC001379949345 888182706 /nfs/dbraw/zinc/18/27/06/888182706.db2.gz DVFIJFWGIKCZFX-WDEREUQCSA-N 1 2 292.343 -1.253 20 0 CAADLO CC(=O)N(C)CC(=O)NC[C@@H]1CC[N@@H+]1[C@@H]1CCNC1=O ZINC001379946547 888183607 /nfs/dbraw/zinc/18/36/07/888183607.db2.gz AJWUYPRBAHDQPA-WDEREUQCSA-N 1 2 282.344 -1.456 20 0 CAADLO CCN(C)C(=O)C[N@@H+]1CC[C@@H]1CNC(=O)Cn1cnnn1 ZINC001379941320 888183749 /nfs/dbraw/zinc/18/37/49/888183749.db2.gz KRFOXJMZFAZUEW-SNVBAGLBSA-N 1 2 295.347 -1.658 20 0 CAADLO CCN(C)C(=O)C[N@H+]1CC[C@@H]1CNC(=O)Cn1cnnn1 ZINC001379941320 888183755 /nfs/dbraw/zinc/18/37/55/888183755.db2.gz KRFOXJMZFAZUEW-SNVBAGLBSA-N 1 2 295.347 -1.658 20 0 CAADLO CC(=O)N(C)CC(=O)NC[C@H]1CC[N@@H+]1[C@H]1CCNC1=O ZINC001379946531 888184064 /nfs/dbraw/zinc/18/40/64/888184064.db2.gz AJWUYPRBAHDQPA-MNOVXSKESA-N 1 2 282.344 -1.456 20 0 CAADLO CC(=O)N(C)CC(=O)NC[C@H]1CC[N@H+]1[C@H]1CCNC1=O ZINC001379946531 888184075 /nfs/dbraw/zinc/18/40/75/888184075.db2.gz AJWUYPRBAHDQPA-MNOVXSKESA-N 1 2 282.344 -1.456 20 0 CAADLO CNC(=O)NCC(=O)NC[C@H]1CC[N@@H+]1[C@@H]1CCN(C)C1=O ZINC001379958235 888184273 /nfs/dbraw/zinc/18/42/73/888184273.db2.gz FCIUZBSLFLUXLL-NXEZZACHSA-N 1 2 297.359 -1.663 20 0 CAADLO CNC(=O)NCC(=O)NC[C@H]1CC[N@H+]1[C@@H]1CCN(C)C1=O ZINC001379958235 888184284 /nfs/dbraw/zinc/18/42/84/888184284.db2.gz FCIUZBSLFLUXLL-NXEZZACHSA-N 1 2 297.359 -1.663 20 0 CAADLO CCN(C)C(=O)C[N@@H+]1CC[C@H]1CNC(=O)CCNC(N)=O ZINC001380045831 888185904 /nfs/dbraw/zinc/18/59/04/888185904.db2.gz ZWWZRLQGBRLEMI-JTQLQIEISA-N 1 2 299.375 -1.286 20 0 CAADLO CCN(C)C(=O)C[N@H+]1CC[C@H]1CNC(=O)CCNC(N)=O ZINC001380045831 888185912 /nfs/dbraw/zinc/18/59/12/888185912.db2.gz ZWWZRLQGBRLEMI-JTQLQIEISA-N 1 2 299.375 -1.286 20 0 CAADLO Cn1nnc(CN2CC[C@@H]2CNC(=O)Cc2[nH]cc[nH+]2)n1 ZINC001380014097 888185760 /nfs/dbraw/zinc/18/57/60/888185760.db2.gz DSCLXJSANAZEPM-SECBINFHSA-N 1 2 290.331 -1.134 20 0 CAADLO O=C(CCn1cnnn1)NC[C@H]1CC[N@@H+]1[C@H]1CCNC1=O ZINC001380026750 888186170 /nfs/dbraw/zinc/18/61/70/888186170.db2.gz ZFUOGUFWCOSUMC-ZJUUUORDSA-N 1 2 293.331 -1.858 20 0 CAADLO O=C(CCn1cnnn1)NC[C@H]1CC[N@H+]1[C@H]1CCNC1=O ZINC001380026750 888186180 /nfs/dbraw/zinc/18/61/80/888186180.db2.gz ZFUOGUFWCOSUMC-ZJUUUORDSA-N 1 2 293.331 -1.858 20 0 CAADLO Cn1nnc(CN2CC[C@H]2CNC(=O)Cc2[nH]cc[nH+]2)n1 ZINC001380014101 888186383 /nfs/dbraw/zinc/18/63/83/888186383.db2.gz DSCLXJSANAZEPM-VIFPVBQESA-N 1 2 290.331 -1.134 20 0 CAADLO COC[C@@H](O)C[N@@H+]1CC[C@H]1CNC(=O)C1=NC(=O)N(C)C1 ZINC001380015673 888186545 /nfs/dbraw/zinc/18/65/45/888186545.db2.gz PQSHBZIWUWYSIE-UWVGGRQHSA-N 1 2 298.343 -1.063 20 0 CAADLO COC[C@@H](O)C[N@H+]1CC[C@H]1CNC(=O)C1=NC(=O)N(C)C1 ZINC001380015673 888186548 /nfs/dbraw/zinc/18/65/48/888186548.db2.gz PQSHBZIWUWYSIE-UWVGGRQHSA-N 1 2 298.343 -1.063 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CC[C@@H]1CNC(=O)CCn1cnnn1 ZINC001380018690 888187371 /nfs/dbraw/zinc/18/73/71/888187371.db2.gz IZHLZNDFBCPTRA-RKDXNWHRSA-N 1 2 281.320 -1.873 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CC[C@@H]1CNC(=O)CCn1cnnn1 ZINC001380018690 888187382 /nfs/dbraw/zinc/18/73/82/888187382.db2.gz IZHLZNDFBCPTRA-RKDXNWHRSA-N 1 2 281.320 -1.873 20 0 CAADLO O=C(Cn1cncn1)NC[C@@H]1CC[N@@H+]1[C@@H]1CCNC1=O ZINC001380034749 888188247 /nfs/dbraw/zinc/18/82/47/888188247.db2.gz GQZMNBSZLAMQPO-VHSXEESVSA-N 1 2 278.316 -1.643 20 0 CAADLO O=C(Cn1cncn1)NC[C@@H]1CC[N@H+]1[C@@H]1CCNC1=O ZINC001380034749 888188262 /nfs/dbraw/zinc/18/82/62/888188262.db2.gz GQZMNBSZLAMQPO-VHSXEESVSA-N 1 2 278.316 -1.643 20 0 CAADLO Cn1cc(C(=O)NCC2([NH2+]Cc3nncn3C)CC2)nn1 ZINC001380087064 888190476 /nfs/dbraw/zinc/19/04/76/888190476.db2.gz TZPCHICIAYYRIB-UHFFFAOYSA-N 1 2 290.331 -1.004 20 0 CAADLO Cn1ncc(C[NH2+]C2(CNC(=O)[C@@H]3COCCO3)CC2)n1 ZINC001380063763 888191540 /nfs/dbraw/zinc/19/15/40/888191540.db2.gz XRCIKFMNCMNIPU-NSHDSACASA-N 1 2 295.343 -1.031 20 0 CAADLO COCC[N@H+](CCNC(=O)c1cn(C)cn1)[C@H](C)C(N)=O ZINC001380106648 888193005 /nfs/dbraw/zinc/19/30/05/888193005.db2.gz YHAXRWHFEXMMKS-SNVBAGLBSA-N 1 2 297.359 -1.028 20 0 CAADLO COCC[N@@H+](CCNC(=O)c1cn(C)cn1)[C@H](C)C(N)=O ZINC001380106648 888193013 /nfs/dbraw/zinc/19/30/13/888193013.db2.gz YHAXRWHFEXMMKS-SNVBAGLBSA-N 1 2 297.359 -1.028 20 0 CAADLO COCC[N@H+](CCNC(=O)c1cnns1)CC(N)=O ZINC001380107165 888193238 /nfs/dbraw/zinc/19/32/38/888193238.db2.gz WZXZGYVURCMJTG-UHFFFAOYSA-N 1 2 287.345 -1.298 20 0 CAADLO COCC[N@@H+](CCNC(=O)c1cnns1)CC(N)=O ZINC001380107165 888193242 /nfs/dbraw/zinc/19/32/42/888193242.db2.gz WZXZGYVURCMJTG-UHFFFAOYSA-N 1 2 287.345 -1.298 20 0 CAADLO Cn1nnnc1C[NH2+]C1(CNC(=O)Cn2cncn2)CC1 ZINC001380161650 888193635 /nfs/dbraw/zinc/19/36/35/888193635.db2.gz JUAJKHXXMYARJW-UHFFFAOYSA-N 1 2 291.319 -1.760 20 0 CAADLO COCC[N@H+](CCNC(=O)c1nc(C)c[nH]1)CC(N)=O ZINC001380110482 888194820 /nfs/dbraw/zinc/19/48/20/888194820.db2.gz HZCKLWOTRGYAMS-UHFFFAOYSA-N 1 2 283.332 -1.118 20 0 CAADLO COCC[N@@H+](CCNC(=O)c1nc(C)c[nH]1)CC(N)=O ZINC001380110482 888194827 /nfs/dbraw/zinc/19/48/27/888194827.db2.gz HZCKLWOTRGYAMS-UHFFFAOYSA-N 1 2 283.332 -1.118 20 0 CAADLO CNC(=O)C[N@H+](CCNC(=O)c1[nH]nnc1C)CCOC ZINC001380102376 888194862 /nfs/dbraw/zinc/19/48/62/888194862.db2.gz CZQVVMQDQGVTTE-UHFFFAOYSA-N 1 2 298.347 -1.463 20 0 CAADLO CNC(=O)C[N@@H+](CCNC(=O)c1[nH]nnc1C)CCOC ZINC001380102376 888194870 /nfs/dbraw/zinc/19/48/70/888194870.db2.gz CZQVVMQDQGVTTE-UHFFFAOYSA-N 1 2 298.347 -1.463 20 0 CAADLO COC[C@H](O)C[NH+]1CC(N(C)C(=O)c2cnn(C)n2)C1 ZINC001380242655 888197936 /nfs/dbraw/zinc/19/79/36/888197936.db2.gz LCBPQPJQDFFKKL-SNVBAGLBSA-N 1 2 283.332 -1.421 20 0 CAADLO COCC[NH+]1CC(N(C)C(=O)[C@@H](C)NS(C)(=O)=O)C1 ZINC001380245441 888198080 /nfs/dbraw/zinc/19/80/80/888198080.db2.gz RZJHCGJDPSMCMU-SECBINFHSA-N 1 2 293.389 -1.287 20 0 CAADLO C[C@H](O)C[NH+]1CC(O)(CNC(=O)C2CCOCC2)C1 ZINC001380576038 888214011 /nfs/dbraw/zinc/21/40/11/888214011.db2.gz WAJDRDBKOXVGKH-JTQLQIEISA-N 1 2 272.345 -1.043 20 0 CAADLO COC[C@H](O)C[NH+]1CC(O)(CNC(=O)[C@H](C)SC)C1 ZINC001380568999 888210971 /nfs/dbraw/zinc/21/09/71/888210971.db2.gz HGUUGQKLJADZCX-VHSXEESVSA-N 1 2 292.401 -1.092 20 0 CAADLO COC[C@H](O)C[NH+]1CC(O)(CNC(=O)Cc2cc[nH]n2)C1 ZINC001380575806 888212894 /nfs/dbraw/zinc/21/28/94/888212894.db2.gz AENOPIAFYBXPKG-LLVKDONJSA-N 1 2 298.343 -1.878 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(O)(CNC(=O)CC2CC2)C1 ZINC001380576079 888212914 /nfs/dbraw/zinc/21/29/14/888212914.db2.gz WMOXUQYKBWZWOR-NSHDSACASA-N 1 2 272.345 -1.043 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(O)(CNC(=O)c2cn(C)cn2)C1 ZINC001380582016 888213031 /nfs/dbraw/zinc/21/30/31/888213031.db2.gz KQHUECUUZUBVBB-JTQLQIEISA-N 1 2 298.343 -1.796 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(O)(CNC(=O)CNC(C)=O)C1 ZINC001380573805 888213347 /nfs/dbraw/zinc/21/33/47/888213347.db2.gz RCXOPACHBKLEBC-JTQLQIEISA-N 1 2 289.332 -2.707 20 0 CAADLO COC[C@H](C)[NH+]1CC(O)(CNC(=O)CCc2nnc[nH]2)C1 ZINC001380581344 888214443 /nfs/dbraw/zinc/21/44/43/888214443.db2.gz DXMSGEKMYTWRMA-JTQLQIEISA-N 1 2 297.359 -1.065 20 0 CAADLO C[C@@H](O)C[NH+]1CC(O)(CNC(=O)c2cc[nH]c(=O)c2)C1 ZINC001380582578 888214780 /nfs/dbraw/zinc/21/47/80/888214780.db2.gz OCRUMNYSIVRIGN-SECBINFHSA-N 1 2 281.312 -1.056 20 0 CAADLO COCCC(=O)NCC1(O)C[NH+](C[C@H](O)COC)C1 ZINC001380578873 888214806 /nfs/dbraw/zinc/21/48/06/888214806.db2.gz YQIZUNJTXOEIBR-JTQLQIEISA-N 1 2 276.333 -1.807 20 0 CAADLO CCNC(=O)CCC(=O)NCC1(O)C[NH+](CCCO)C1 ZINC001380582522 888215087 /nfs/dbraw/zinc/21/50/87/888215087.db2.gz QSUBHSHINZUZGA-UHFFFAOYSA-N 1 2 287.360 -1.552 20 0 CAADLO CC(=O)N(C)CC(=O)NCC1(O)C[NH+](CCCF)C1 ZINC001380578069 888215288 /nfs/dbraw/zinc/21/52/88/888215288.db2.gz ZSQVWLSZBNYJAA-UHFFFAOYSA-N 1 2 275.324 -1.013 20 0 CAADLO C[C@H](O)C[NH+]1CC(O)(CNC(=O)CO[C@@H]2CCOC2)C1 ZINC001380595533 888216409 /nfs/dbraw/zinc/21/64/09/888216409.db2.gz AATDHWBWLOHDKE-WDEREUQCSA-N 1 2 288.344 -1.664 20 0 CAADLO C[C@H](O)C[NH+]1CC(O)(CNC(=O)CO[C@H]2CCOC2)C1 ZINC001380595527 888216440 /nfs/dbraw/zinc/21/64/40/888216440.db2.gz AATDHWBWLOHDKE-QWRGUYRKSA-N 1 2 288.344 -1.664 20 0 CAADLO COC[C@H](C)[NH+]1CC(O)(CNC(=O)[C@@H]2CCNC(=O)C2)C1 ZINC001380584296 888216554 /nfs/dbraw/zinc/21/65/54/888216554.db2.gz ZQZHDWDSCMLMNA-WDEREUQCSA-N 1 2 299.371 -1.290 20 0 CAADLO O=C(CO[C@@H]1CCOC1)NCC1(O)C[NH+](CCCO)C1 ZINC001380597588 888216880 /nfs/dbraw/zinc/21/68/80/888216880.db2.gz UKVGVYVSRHWPAA-LLVKDONJSA-N 1 2 288.344 -1.663 20 0 CAADLO COC[C@H](C)[NH+]1CC(O)(CNC(=O)c2cnn(C)c2N)C1 ZINC001380586147 888217016 /nfs/dbraw/zinc/21/70/16/888217016.db2.gz AFDBIVOAZBMYBL-VIFPVBQESA-N 1 2 297.359 -1.186 20 0 CAADLO Cc1nnccc1C(=O)NCC1(O)C[NH+](C[C@@H](C)O)C1 ZINC001380597148 888217940 /nfs/dbraw/zinc/21/79/40/888217940.db2.gz CRULELCLZOULQE-SECBINFHSA-N 1 2 280.328 -1.058 20 0 CAADLO CC(=O)N1CC(C(=O)NCC2(O)C[NH+](CCCF)C2)C1 ZINC001380586704 888218620 /nfs/dbraw/zinc/21/86/20/888218620.db2.gz AVVBZUNTEKHWHN-UHFFFAOYSA-N 1 2 287.335 -1.013 20 0 CAADLO NC(=O)[C@@H]1CC[C@H](C(=O)NCC2(O)C[NH+](CCCO)C2)C1 ZINC001380618851 888219544 /nfs/dbraw/zinc/21/95/44/888219544.db2.gz XURGKRIMYOVKCC-MNOVXSKESA-N 1 2 299.371 -1.567 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(O)(CNC(=O)c2cncn2C)C1 ZINC001380599953 888220345 /nfs/dbraw/zinc/22/03/45/888220345.db2.gz WJSDYARONAAWLA-JTQLQIEISA-N 1 2 298.343 -1.796 20 0 CAADLO CO[C@@H](C)C[NH+]1CC(O)(CNC(=O)c2cnc[nH]c2=O)C1 ZINC001380599029 888220616 /nfs/dbraw/zinc/22/06/16/888220616.db2.gz OBCGXZKWBQFCFA-VIFPVBQESA-N 1 2 296.327 -1.006 20 0 CAADLO CC[C@H](F)C(=O)NCC1(O)C[NH+](C[C@@H](O)COC)C1 ZINC001380612728 888220669 /nfs/dbraw/zinc/22/06/69/888220669.db2.gz FRNGQKXMPOBQMT-ZJUUUORDSA-N 1 2 278.324 -1.095 20 0 CAADLO CC[C@H](F)C(=O)NCC1(O)C[NH+](C[C@H](O)COC)C1 ZINC001380612726 888220994 /nfs/dbraw/zinc/22/09/94/888220994.db2.gz FRNGQKXMPOBQMT-UWVGGRQHSA-N 1 2 278.324 -1.095 20 0 CAADLO C[C@@H](O)C[NH+]1CC(O)(CNC(=O)C[C@H]2CCC(=O)NC2)C1 ZINC001380626565 888221104 /nfs/dbraw/zinc/22/11/04/888221104.db2.gz QEQKOBXWAKUIGH-GHMZBOCLSA-N 1 2 299.371 -1.554 20 0 CAADLO CC[C@@H](F)C(=O)NCC1(O)C[NH+](C[C@@H](O)COC)C1 ZINC001380612725 888221571 /nfs/dbraw/zinc/22/15/71/888221571.db2.gz FRNGQKXMPOBQMT-NXEZZACHSA-N 1 2 278.324 -1.095 20 0 CAADLO O=C(NCC1(O)C[NH+](CCCO)C1)[C@@H]1CCC(=O)N1 ZINC001380634216 888222354 /nfs/dbraw/zinc/22/23/54/888222354.db2.gz IHKSCXOLBFLNOY-VIFPVBQESA-N 1 2 271.317 -2.190 20 0 CAADLO CC[NH+]1CC(O)(CNC(=O)c2[nH]c(=O)[nH]c(=O)c2OC)C1 ZINC001380644768 888222519 /nfs/dbraw/zinc/22/25/19/888222519.db2.gz ULPRSZWSGFDRRE-UHFFFAOYSA-N 1 2 298.299 -1.307 20 0 CAADLO CC[NH+]1CC(O)(CNC(=O)Cc2c(C)[nH]c(=O)[nH]c2=O)C1 ZINC001380633975 888222734 /nfs/dbraw/zinc/22/27/34/888222734.db2.gz QNFIXSHAEKKBFW-UHFFFAOYSA-N 1 2 296.327 -1.078 20 0 CAADLO CC[NH+]1CC(O)(CNC(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001380648368 888222806 /nfs/dbraw/zinc/22/28/06/888222806.db2.gz ANDPOMJFJUMADC-UHFFFAOYSA-N 1 2 282.300 -1.718 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(O)(CNC(=O)c2nc(C)c[nH]2)C1 ZINC001380637056 888222875 /nfs/dbraw/zinc/22/28/75/888222875.db2.gz XBSGEYAZVHITCP-JTQLQIEISA-N 1 2 298.343 -1.498 20 0 CAADLO C[C@@H](O)CCC[NH+]1CC(O)(CNC(=O)c2cnn(C)n2)C1 ZINC001380629099 888223066 /nfs/dbraw/zinc/22/30/66/888223066.db2.gz PXAWHOGZDKRWLD-SNVBAGLBSA-N 1 2 297.359 -1.247 20 0 CAADLO C[C@H](O)CCC[NH+]1CC(O)(CNC(=O)c2cnn(C)n2)C1 ZINC001380629095 888223453 /nfs/dbraw/zinc/22/34/53/888223453.db2.gz PXAWHOGZDKRWLD-JTQLQIEISA-N 1 2 297.359 -1.247 20 0 CAADLO C[C@H](O)C[NH+]1CC(O)(CNC(=O)CCN2CCCC2=O)C1 ZINC001380640931 888223662 /nfs/dbraw/zinc/22/36/62/888223662.db2.gz FPXRYRXTLWTZMO-NSHDSACASA-N 1 2 299.371 -1.457 20 0 CAADLO C[C@@H](O)C[NH+]1CC(O)(CNC(=O)CCN2CCCC2=O)C1 ZINC001380640927 888224218 /nfs/dbraw/zinc/22/42/18/888224218.db2.gz FPXRYRXTLWTZMO-LLVKDONJSA-N 1 2 299.371 -1.457 20 0 CAADLO CC[NH+]1CC(O)(CNC(=O)c2ccc(C(N)=O)nc2)C1 ZINC001380643337 888224361 /nfs/dbraw/zinc/22/43/61/888224361.db2.gz LTGGTROMGKXERW-UHFFFAOYSA-N 1 2 278.312 -1.023 20 0 CAADLO CC[NH+]1CC(O)(CNC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001380626626 888224588 /nfs/dbraw/zinc/22/45/88/888224588.db2.gz HZTYXMFVYJZZHD-ZETCQYMHSA-N 1 2 270.289 -2.233 20 0 CAADLO CNS(=O)(=O)CC(=O)NCC1(O)C[NH+](C[C@@H](C)O)C1 ZINC001380641017 888224855 /nfs/dbraw/zinc/22/48/55/888224855.db2.gz GPWXZZPPDGOGFE-MRVPVSSYSA-N 1 2 295.361 -2.921 20 0 CAADLO CC[N@@H+]1CCC[C@](CO)(NC(=O)C2CS(=O)(=O)C2)C1 ZINC001380739223 888228102 /nfs/dbraw/zinc/22/81/02/888228102.db2.gz YAWVMECMIJZERV-LBPRGKRZSA-N 1 2 290.385 -1.006 20 0 CAADLO CC[N@H+]1CCC[C@](CO)(NC(=O)C2CS(=O)(=O)C2)C1 ZINC001380739223 888228119 /nfs/dbraw/zinc/22/81/19/888228119.db2.gz YAWVMECMIJZERV-LBPRGKRZSA-N 1 2 290.385 -1.006 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@](CO)(NC(=O)C[C@H]2CCCO2)C1 ZINC001380738495 888229163 /nfs/dbraw/zinc/22/91/63/888229163.db2.gz XXMRJPHGOIYBMX-RISCZKNCSA-N 1 2 299.371 -1.016 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@](CO)(NC(=O)C[C@H]2CCCO2)C1 ZINC001380738495 888229180 /nfs/dbraw/zinc/22/91/80/888229180.db2.gz XXMRJPHGOIYBMX-RISCZKNCSA-N 1 2 299.371 -1.016 20 0 CAADLO CC[N@@H+]1CCC[C@@](CO)(NC(=O)C2CS(=O)(=O)C2)C1 ZINC001380739214 888229966 /nfs/dbraw/zinc/22/99/66/888229966.db2.gz YAWVMECMIJZERV-GFCCVEGCSA-N 1 2 290.385 -1.006 20 0 CAADLO CC[N@H+]1CCC[C@@](CO)(NC(=O)C2CS(=O)(=O)C2)C1 ZINC001380739214 888229985 /nfs/dbraw/zinc/22/99/85/888229985.db2.gz YAWVMECMIJZERV-GFCCVEGCSA-N 1 2 290.385 -1.006 20 0 CAADLO COC(=O)NCC(=O)NC[C@@H]1COCC[N@@H+]1C[C@H](C)O ZINC001380818722 888230995 /nfs/dbraw/zinc/23/09/95/888230995.db2.gz VOEPUAUPUYSIMH-VHSXEESVSA-N 1 2 289.332 -1.460 20 0 CAADLO COC(=O)NCC(=O)NC[C@@H]1COCC[N@H+]1C[C@H](C)O ZINC001380818722 888231004 /nfs/dbraw/zinc/23/10/04/888231004.db2.gz VOEPUAUPUYSIMH-VHSXEESVSA-N 1 2 289.332 -1.460 20 0 CAADLO CC[N@@H+]1CCOC[C@@H]1CNC(=O)Cn1ncn(C)c1=O ZINC001380814740 888231114 /nfs/dbraw/zinc/23/11/14/888231114.db2.gz YVPVOSVUXPSPEN-JTQLQIEISA-N 1 2 283.332 -1.581 20 0 CAADLO CC[N@H+]1CCOC[C@@H]1CNC(=O)Cn1ncn(C)c1=O ZINC001380814740 888231122 /nfs/dbraw/zinc/23/11/22/888231122.db2.gz YVPVOSVUXPSPEN-JTQLQIEISA-N 1 2 283.332 -1.581 20 0 CAADLO CC[NH+]1CC2(C1)C[C@H](NC(=O)CNC(=O)NC)CO2 ZINC001381013241 888239801 /nfs/dbraw/zinc/23/98/01/888239801.db2.gz PDYXWPRDSAUIAV-VIFPVBQESA-N 1 2 270.333 -1.105 20 0 CAADLO CCC(=O)NCC(=O)NC[C@H]1CCC2(C[NH+](CCO)C2)O1 ZINC001380997106 888242293 /nfs/dbraw/zinc/24/22/93/888242293.db2.gz AELANJRDCKTMOQ-LLVKDONJSA-N 1 2 299.371 -1.146 20 0 CAADLO CC(=O)N1CC(CCO)(NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001380965962 888242343 /nfs/dbraw/zinc/24/23/43/888242343.db2.gz ANHZZWKWWUFNFQ-LLVKDONJSA-N 1 2 285.344 -1.584 20 0 CAADLO CC(=O)N1CC(CCO)(NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001380965962 888242355 /nfs/dbraw/zinc/24/23/55/888242355.db2.gz ANHZZWKWWUFNFQ-LLVKDONJSA-N 1 2 285.344 -1.584 20 0 CAADLO COCC(=O)N1CCC(O)(C[NH2+]Cc2nnn(C)n2)CC1 ZINC001381138604 888244369 /nfs/dbraw/zinc/24/43/69/888244369.db2.gz QVEHJQIGLTZQGE-UHFFFAOYSA-N 1 2 298.347 -1.700 20 0 CAADLO O=C(Cn1cnnn1)N1CC[NH+](CCn2cccn2)CC1 ZINC001381072262 888244455 /nfs/dbraw/zinc/24/44/55/888244455.db2.gz DPVBZRWRBNJYAH-UHFFFAOYSA-N 1 2 290.331 -1.286 20 0 CAADLO CC(=O)NCC(=O)N1C[C@H](C)[C@H]([NH2+]Cc2nnn(C)n2)C1 ZINC001381104196 888244969 /nfs/dbraw/zinc/24/49/69/888244969.db2.gz MQQIKXJBYDPBJW-WCBMZHEXSA-N 1 2 295.347 -1.717 20 0 CAADLO C[C@@H](CCNC(=O)c1ncn[nH]1)[NH2+]Cc1nnnn1C ZINC001381218539 888247233 /nfs/dbraw/zinc/24/72/33/888247233.db2.gz HJIRBAMPPAREHI-ZETCQYMHSA-N 1 2 279.308 -1.374 20 0 CAADLO C[C@@H](CCNC(=O)c1nc[nH]n1)[NH2+]Cc1nnnn1C ZINC001381218539 888247245 /nfs/dbraw/zinc/24/72/45/888247245.db2.gz HJIRBAMPPAREHI-ZETCQYMHSA-N 1 2 279.308 -1.374 20 0 CAADLO C[C@H](NC(=O)c1cnnn1C)[C@H](C)[NH2+]Cc1nnn(C)n1 ZINC001381361573 888250913 /nfs/dbraw/zinc/25/09/13/888250913.db2.gz JRDMJOXUVNJUHN-YUMQZZPRSA-N 1 2 293.335 -1.365 20 0 CAADLO C[C@@H]([NH2+]Cc1nnn(C)n1)[C@H](C)NC(=O)c1cnnn1C ZINC001381361568 888253164 /nfs/dbraw/zinc/25/31/64/888253164.db2.gz JRDMJOXUVNJUHN-SFYZADRCSA-N 1 2 293.335 -1.365 20 0 CAADLO C[C@H](O)C[NH+]1CC(CCO)(NC(=O)c2cnc[nH]c2=O)C1 ZINC001381656349 888260771 /nfs/dbraw/zinc/26/07/71/888260771.db2.gz CTYBPUAGZBDGHD-VIFPVBQESA-N 1 2 296.327 -1.270 20 0 CAADLO C[C@@H](O)C[NH+]1CC(CCO)(NC(=O)c2cnc[nH]c2=O)C1 ZINC001381654863 888260828 /nfs/dbraw/zinc/26/08/28/888260828.db2.gz CTYBPUAGZBDGHD-SECBINFHSA-N 1 2 296.327 -1.270 20 0 CAADLO Cn1ncc(C(=O)NC2(CCO)C[NH+](CCCO)C2)c1N ZINC001381652796 888260970 /nfs/dbraw/zinc/26/09/70/888260970.db2.gz IDAKIRUZTIIMBF-UHFFFAOYSA-N 1 2 297.359 -1.449 20 0 CAADLO CN1C[C@H](C(=O)NC2(CCO)C[NH+](CCO)C2)NC1=O ZINC001381667480 888261253 /nfs/dbraw/zinc/26/12/53/888261253.db2.gz UIFQEJCFIUXNAO-SECBINFHSA-N 1 2 286.332 -2.445 20 0 CAADLO C[C@H](O)C[NH+]1CC(CCO)(NC(=O)[C@@H]2COCCO2)C1 ZINC001381632576 888261288 /nfs/dbraw/zinc/26/12/88/888261288.db2.gz CVTSILYGSAIFEA-QWRGUYRKSA-N 1 2 288.344 -1.664 20 0 CAADLO CC(=O)N[C@H](C)C(=O)NC1(CCO)C[NH+](CCCO)C1 ZINC001381677934 888262300 /nfs/dbraw/zinc/26/23/00/888262300.db2.gz SUPKQHGUUOEHFP-SNVBAGLBSA-N 1 2 287.360 -1.554 20 0 CAADLO CCN1CC(CCO)(NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001381662345 888262532 /nfs/dbraw/zinc/26/25/32/888262532.db2.gz OHNJNDHRJFNAGC-NSHDSACASA-N 1 2 271.361 -1.110 20 0 CAADLO CCN1CC(CCO)(NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001381662345 888262545 /nfs/dbraw/zinc/26/25/45/888262545.db2.gz OHNJNDHRJFNAGC-NSHDSACASA-N 1 2 271.361 -1.110 20 0 CAADLO COCC[NH+]1CC(CCO)(NC(=O)C[C@@H]2CCNC2=O)C1 ZINC001381667040 888262592 /nfs/dbraw/zinc/26/25/92/888262592.db2.gz YMXVFUYTIRNPRS-NSHDSACASA-N 1 2 299.371 -1.288 20 0 CAADLO C[C@H](O)C[NH+]1CC(CCO)(NC(=O)c2cnn(C)c2N)C1 ZINC001381652406 888262633 /nfs/dbraw/zinc/26/26/33/888262633.db2.gz HHKKNIOOVZUWMO-VIFPVBQESA-N 1 2 297.359 -1.450 20 0 CAADLO CN1C[C@@H](C(=O)NC2(CCO)C[NH+](CCO)C2)NC1=O ZINC001381667483 888263379 /nfs/dbraw/zinc/26/33/79/888263379.db2.gz UIFQEJCFIUXNAO-VIFPVBQESA-N 1 2 286.332 -2.445 20 0 CAADLO CC(=O)N[C@H](C)C(=O)NC1(CCO)C[NH+](CCO)C1 ZINC001381674454 888263729 /nfs/dbraw/zinc/26/37/29/888263729.db2.gz NQTZAGBOKZKQHJ-SECBINFHSA-N 1 2 273.333 -1.944 20 0 CAADLO CC[NH+]1CC(CCO)(NC(=O)COCc2nncn2C)C1 ZINC001381681618 888263929 /nfs/dbraw/zinc/26/39/29/888263929.db2.gz VGDBANJSWJQZAN-UHFFFAOYSA-N 1 2 297.359 -1.095 20 0 CAADLO CO[C@@H](C)C[NH+]1CC(CCO)(NC(=O)Cn2ncnn2)C1 ZINC001381658509 888264050 /nfs/dbraw/zinc/26/40/50/888264050.db2.gz NHQBETNSTYDTBN-JTQLQIEISA-N 1 2 298.347 -1.739 20 0 CAADLO C[C@@H](NC(=O)C[C@@H]1CCCC(=O)N1)C1C[NH+](CC(N)=O)C1 ZINC001381796873 888264548 /nfs/dbraw/zinc/26/45/48/888264548.db2.gz BZQJLLHEGKZUEF-KOLCDFICSA-N 1 2 296.371 -1.033 20 0 CAADLO C[C@@H](NC(=O)CN1CCOCC1=O)C1C[NH+](CC(N)=O)C1 ZINC001381784156 888265460 /nfs/dbraw/zinc/26/54/60/888265460.db2.gz HSFMNZPYFKGCEU-SECBINFHSA-N 1 2 298.343 -2.233 20 0 CAADLO C[C@H](NC(=O)[C@@H]1CCCO1)C1C[NH+](CC(=O)NC(N)=O)C1 ZINC001381772655 888265618 /nfs/dbraw/zinc/26/56/18/888265618.db2.gz WQDHQFNICBCDCJ-WPRPVWTQSA-N 1 2 298.343 -1.203 20 0 CAADLO C[C@H](NC(=O)Cc1nc[nH]n1)C1C[NH+]([C@@H]2CCNC2=O)C1 ZINC001381808280 888266275 /nfs/dbraw/zinc/26/62/75/888266275.db2.gz IEHXKSJGSDGDEC-WCBMZHEXSA-N 1 2 292.343 -1.328 20 0 CAADLO C[C@@H](NC(=O)Cc1nc[nH]n1)C1C[NH+]([C@@H]2CCNC2=O)C1 ZINC001381808268 888266417 /nfs/dbraw/zinc/26/64/17/888266417.db2.gz IEHXKSJGSDGDEC-PSASIEDQSA-N 1 2 292.343 -1.328 20 0 CAADLO C[C@@H](NC(=O)c1cn[nH]c1)C1C[NH+](CC(=O)NC(N)=O)C1 ZINC001381792936 888267324 /nfs/dbraw/zinc/26/73/24/888267324.db2.gz TZGGEACAEPCLNU-SSDOTTSWSA-N 1 2 294.315 -1.345 20 0 CAADLO CNC(=O)NCCC(=O)N[C@H](C)C1C[NH+](CC(N)=O)C1 ZINC001381770617 888267860 /nfs/dbraw/zinc/26/78/60/888267860.db2.gz AEBJMEDTZBUDCV-MRVPVSSYSA-N 1 2 285.348 -1.773 20 0 CAADLO CN1C(=O)CCC[C@@H]1C(=O)NC1(CCO)C[NH+](CCO)C1 ZINC001381688340 888268280 /nfs/dbraw/zinc/26/82/80/888268280.db2.gz MTTDGHGXXGNZLZ-LLVKDONJSA-N 1 2 299.371 -1.457 20 0 CAADLO C[C@H](NC(=O)C[C@H]1COC(=O)C1)C1C[NH+](CC(N)=O)C1 ZINC001381783821 888268476 /nfs/dbraw/zinc/26/84/76/888268476.db2.gz GFIUMRPUJSQYKL-DTWKUNHWSA-N 1 2 283.328 -1.139 20 0 CAADLO C[C@@H](NC(=O)[C@@H]1CCOC1)C1C[NH+](CC(=O)NC(N)=O)C1 ZINC001381774971 888268587 /nfs/dbraw/zinc/26/85/87/888268587.db2.gz TVTSRZQPSXQZQA-RKDXNWHRSA-N 1 2 298.343 -1.346 20 0 CAADLO CC(=O)NCC(=O)N(C)C[C@H](C)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001382044858 888273237 /nfs/dbraw/zinc/27/32/37/888273237.db2.gz VNUNJEVBHPHURQ-QMMMGPOBSA-N 1 2 298.347 -1.819 20 0 CAADLO CC(=O)NC[C@@H](CO)[NH2+]Cc1cn(C[C@@H]2CCOC2)nn1 ZINC001382168556 888278500 /nfs/dbraw/zinc/27/85/00/888278500.db2.gz OWQDJYMHPOIYPU-AAEUAGOBSA-N 1 2 297.359 -1.099 20 0 CAADLO CC(=O)N[C@H](C)C(=O)NC[C@H](CO)[NH2+]Cc1nonc1C ZINC001382169503 888281016 /nfs/dbraw/zinc/28/10/16/888281016.db2.gz CJHDSQOCWMLHAC-PSASIEDQSA-N 1 2 299.331 -1.531 20 0 CAADLO Cn1nnnc1C[NH2+][C@@H](CO)CNC(=O)c1ccncc1 ZINC001382171864 888282313 /nfs/dbraw/zinc/28/23/13/888282313.db2.gz KBIKAJKKJCQHHT-SNVBAGLBSA-N 1 2 291.315 -1.514 20 0 CAADLO Cn1cc(C(=O)NC[C@H](CO)[NH2+]Cc2nnnn2C)cn1 ZINC001382176164 888283138 /nfs/dbraw/zinc/28/31/38/888283138.db2.gz DOPVPGULGXQDBN-SECBINFHSA-N 1 2 294.319 -2.176 20 0 CAADLO CCOCC(=O)NC[C@@H](CO)[NH2+]Cc1ncnn1C ZINC001382178001 888283420 /nfs/dbraw/zinc/28/34/20/888283420.db2.gz RIQHFQFVHIBJFV-VIFPVBQESA-N 1 2 271.321 -1.582 20 0 CAADLO Cn1nnnc1C[NH2+][C@H](CO)CNC(=O)c1ccc[nH]1 ZINC001382182032 888284027 /nfs/dbraw/zinc/28/40/27/888284027.db2.gz RBURJEVWHDVRAN-QMMMGPOBSA-N 1 2 279.304 -1.581 20 0 CAADLO Cn1cc(C(=O)NC[C@@H](CO)[NH2+]Cc2nnnn2C)cn1 ZINC001382176168 888285478 /nfs/dbraw/zinc/28/54/78/888285478.db2.gz DOPVPGULGXQDBN-VIFPVBQESA-N 1 2 294.319 -2.176 20 0 CAADLO Cn1nnnc1C[NH2+][C@@H](CO)CNC(=O)c1ccc[nH]1 ZINC001382182029 888286088 /nfs/dbraw/zinc/28/60/88/888286088.db2.gz RBURJEVWHDVRAN-MRVPVSSYSA-N 1 2 279.304 -1.581 20 0 CAADLO Cn1nnnc1C[NH2+][C@@H](CO)CNC(=O)c1cnccn1 ZINC001382178162 888286715 /nfs/dbraw/zinc/28/67/15/888286715.db2.gz TUROHQRHGMTCQF-MRVPVSSYSA-N 1 2 292.303 -2.119 20 0 CAADLO CC(=O)N(C)CC(=O)NC[C@@H](CO)[NH2+]Cc1nncn1C ZINC001382178826 888286748 /nfs/dbraw/zinc/28/67/48/888286748.db2.gz PMMSPILVGBXDRB-JTQLQIEISA-N 1 2 298.347 -2.140 20 0 CAADLO CC(=O)N(C)CC(=O)NC[C@H](CO)[NH2+]Cc1nncn1C ZINC001382178829 888287002 /nfs/dbraw/zinc/28/70/02/888287002.db2.gz PMMSPILVGBXDRB-SNVBAGLBSA-N 1 2 298.347 -2.140 20 0 CAADLO Cn1ncc(C[NH2+][C@@H](CO)CNC(=O)[C@@H]2COCCO2)n1 ZINC001382185280 888288348 /nfs/dbraw/zinc/28/83/48/888288348.db2.gz JWHAHTAPEXFFFD-MNOVXSKESA-N 1 2 299.331 -2.203 20 0 CAADLO Cn1ncnc1C[NH2+][C@@H](CO)CNC(=O)[C@@H]1COCCO1 ZINC001382185423 888289276 /nfs/dbraw/zinc/28/92/76/888289276.db2.gz KBLUHTBYXODLBM-ZJUUUORDSA-N 1 2 299.331 -2.203 20 0 CAADLO CC(=O)N(C)CC(=O)NC[C@@H](CO)[NH2+]Cc1nnnn1C ZINC001382182992 888289579 /nfs/dbraw/zinc/28/95/79/888289579.db2.gz ZYMXSCZFSIBLTQ-VIFPVBQESA-N 1 2 299.335 -2.745 20 0 CAADLO Cn1cnnc1C[NH2+][C@@H](CO)CNC(=O)Cn1cccn1 ZINC001382182841 888290134 /nfs/dbraw/zinc/29/01/34/888290134.db2.gz UMMIXNUDPNUALN-SNVBAGLBSA-N 1 2 293.331 -1.722 20 0 CAADLO Cn1cnnc1C[NH2+][C@H](CO)CNC(=O)Cn1cccn1 ZINC001382182838 888290163 /nfs/dbraw/zinc/29/01/63/888290163.db2.gz UMMIXNUDPNUALN-JTQLQIEISA-N 1 2 293.331 -1.722 20 0 CAADLO CC(=O)N(C)CC(=O)NC[C@H](CO)[NH2+]Cc1nnnn1C ZINC001382182991 888290268 /nfs/dbraw/zinc/29/02/68/888290268.db2.gz ZYMXSCZFSIBLTQ-SECBINFHSA-N 1 2 299.335 -2.745 20 0 CAADLO O=C(NC[C@@H](CO)[NH2+]Cc1ccon1)[C@H]1COC(=O)N1 ZINC001382186897 888290339 /nfs/dbraw/zinc/29/03/39/888290339.db2.gz GXCOFAAVXQEOHB-DTWKUNHWSA-N 1 2 284.272 -1.650 20 0 CAADLO CC(C)[C@@H](O)C(=O)NC[C@H](CO)[NH2+]Cc1cnn(C)n1 ZINC001382184763 888290782 /nfs/dbraw/zinc/29/07/82/888290782.db2.gz BDCVOZIDXIMLLN-GHMZBOCLSA-N 1 2 285.348 -1.601 20 0 CAADLO Cn1nnnc1C[NH2+][C@H](CO)CNC(=O)C[C@@H]1CCCO1 ZINC001382185460 888291027 /nfs/dbraw/zinc/29/10/27/888291027.db2.gz KGMPNSDGIGNQSQ-UWVGGRQHSA-N 1 2 298.347 -1.654 20 0 CAADLO Cc1nnc(C[NH2+][C@@H](CO)CNC(=O)c2cocn2)[nH]1 ZINC001382184305 888291492 /nfs/dbraw/zinc/29/14/92/888291492.db2.gz NYMNFDCWFBJNSR-MRVPVSSYSA-N 1 2 280.288 -1.018 20 0 CAADLO Cn1ncnc1C[NH2+][C@H](CO)CNC(=O)C[C@H]1CCOC1 ZINC001382193762 888293547 /nfs/dbraw/zinc/29/35/47/888293547.db2.gz OALGZILSKKCERO-MNOVXSKESA-N 1 2 297.359 -1.192 20 0 CAADLO Cc1ocnc1C(=O)NC[C@@H](CO)[NH2+]Cc1nncn1C ZINC001382189148 888293678 /nfs/dbraw/zinc/29/36/78/888293678.db2.gz MCZVRLYEDWWBRM-VIFPVBQESA-N 1 2 294.315 -1.008 20 0 CAADLO Cn1[nH]c(C[NH2+][C@H](CO)CNC(=O)[C@H]2CC2(C)C)nc1=O ZINC001382191439 888293946 /nfs/dbraw/zinc/29/39/46/888293946.db2.gz KWLLZBJSOYGILO-DTWKUNHWSA-N 1 2 297.359 -1.279 20 0 CAADLO Nc1nccnc1C(=O)NC[C@@H](CO)[NH2+]Cc1ccon1 ZINC001382192934 888294878 /nfs/dbraw/zinc/29/48/78/888294878.db2.gz KMKVRDDJBKHCRH-VIFPVBQESA-N 1 2 292.299 -1.073 20 0 CAADLO CO[C@H](C)CC(=O)NC[C@H](CO)[NH2+]Cc1cn(C)nn1 ZINC001382188382 888295894 /nfs/dbraw/zinc/29/58/94/888295894.db2.gz VEXYHJKUNMWJOV-MWLCHTKSSA-N 1 2 285.348 -1.193 20 0 CAADLO Cn1cnnc1C[NH2+][C@@H](CO)CNC(=O)c1cnnn1C ZINC001382188521 888296827 /nfs/dbraw/zinc/29/68/27/888296827.db2.gz KLKQUOQYWSPIOB-MRVPVSSYSA-N 1 2 294.319 -2.176 20 0 CAADLO Cc1nonc1C[NH2+][C@@H](CO)CNC(=O)c1cn(C)nn1 ZINC001382203735 888298781 /nfs/dbraw/zinc/29/87/81/888298781.db2.gz PCKXBOGFPMCTCM-MRVPVSSYSA-N 1 2 295.303 -1.613 20 0 CAADLO Cn1cnc(C(=O)NC[C@H](CO)[NH2+]Cc2cnn(C)n2)n1 ZINC001382199220 888299193 /nfs/dbraw/zinc/29/91/93/888299193.db2.gz AXIUXWCFKMNBAO-SECBINFHSA-N 1 2 294.319 -2.176 20 0 CAADLO CNC(=O)NCC(=O)NC[C@@H](CO)[NH2+]Cc1ccon1 ZINC001382207276 888300082 /nfs/dbraw/zinc/30/00/82/888300082.db2.gz KROKGFIUWJIWPH-VIFPVBQESA-N 1 2 285.304 -1.830 20 0 CAADLO Cn1cc(C[NH2+][C@@H](CO)CNC(=O)c2cn[nH]n2)nn1 ZINC001382226189 888309593 /nfs/dbraw/zinc/30/95/93/888309593.db2.gz YPSVDEDMULJTBV-MRVPVSSYSA-N 1 2 280.292 -2.186 20 0 CAADLO Cn1cc(C[NH2+][C@@H](CO)CNC(=O)c2cncn2C)nn1 ZINC001382227631 888310598 /nfs/dbraw/zinc/31/05/98/888310598.db2.gz MVISKYQLGRWJQK-SNVBAGLBSA-N 1 2 293.331 -1.571 20 0 CAADLO Cn1cc(C[NH2+][C@H](CO)CNC(=O)c2csnn2)nn1 ZINC001382238384 888311221 /nfs/dbraw/zinc/31/12/21/888311221.db2.gz PMZORRJWHMJKKW-QMMMGPOBSA-N 1 2 297.344 -1.453 20 0 CAADLO Cn1nnnc1C[NH2+][C@@H](CO)CNC(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC001382236006 888310904 /nfs/dbraw/zinc/31/09/04/888310904.db2.gz LCVURUTWAYORFY-VPOLOUISSA-N 1 2 294.359 -1.177 20 0 CAADLO Cc1nocc1C(=O)NC[C@@H](CO)[NH2+]Cc1nncn1C ZINC001382237372 888311072 /nfs/dbraw/zinc/31/10/72/888311072.db2.gz QINCMJHWHDQWSF-VIFPVBQESA-N 1 2 294.315 -1.008 20 0 CAADLO Cc1c[nH]c(C(=O)NC[C@H](CO)[NH2+]Cc2ncnn2C)n1 ZINC001382248975 888311880 /nfs/dbraw/zinc/31/18/80/888311880.db2.gz DZXPPXUHCZKNKO-SECBINFHSA-N 1 2 293.331 -1.273 20 0 CAADLO Cn1[nH]c(C[NH2+][C@H](CO)CNC(=O)c2cnco2)nc1=O ZINC001382244783 888315225 /nfs/dbraw/zinc/31/52/25/888315225.db2.gz YSDFWZISIYGHSZ-ZETCQYMHSA-N 1 2 296.287 -2.023 20 0 CAADLO Cc1nocc1C[NH2+][C@H](CO)CNC(=O)c1nnc[nH]1 ZINC001382262285 888318813 /nfs/dbraw/zinc/31/88/13/888318813.db2.gz YKMHWAYUGRVGGT-VIFPVBQESA-N 1 2 280.288 -1.018 20 0 CAADLO Cc1nocc1C[NH2+][C@H](CO)CNC(=O)c1ncn[nH]1 ZINC001382262285 888318820 /nfs/dbraw/zinc/31/88/20/888318820.db2.gz YKMHWAYUGRVGGT-VIFPVBQESA-N 1 2 280.288 -1.018 20 0 CAADLO Cn1cc(C[NH2+][C@H](CO)CNC(=O)C[C@H]2CCOC2)nn1 ZINC001382258058 888319343 /nfs/dbraw/zinc/31/93/43/888319343.db2.gz UONJVXBUDJQJAD-PWSUYJOCSA-N 1 2 297.359 -1.192 20 0 CAADLO COCCC(=O)NC[C@@H](CO)NC(=O)Cn1cc[nH+]c1 ZINC001382276541 888324344 /nfs/dbraw/zinc/32/43/44/888324344.db2.gz SGVLIVCRYMUUGH-JTQLQIEISA-N 1 2 284.316 -1.487 20 0 CAADLO Cc1nonc1C(=O)NC[C@@H](CO)[NH2+]Cc1cnn(C)n1 ZINC001382282624 888328563 /nfs/dbraw/zinc/32/85/63/888328563.db2.gz GCPHSLIILRQXNI-VIFPVBQESA-N 1 2 295.303 -1.613 20 0 CAADLO CC(=O)NCC(=O)N1CC[C@@H]([NH2+]Cc2nnn(C)n2)[C@H]1C ZINC001382286121 888330225 /nfs/dbraw/zinc/33/02/25/888330225.db2.gz KMOHDUAEPKWMQE-PSASIEDQSA-N 1 2 295.347 -1.575 20 0 CAADLO CC(=O)NCC(=O)N1CC[C@@H]([NH2+]Cc2nnn(C)n2)[C@@H]1C ZINC001382286146 888330339 /nfs/dbraw/zinc/33/03/39/888330339.db2.gz KMOHDUAEPKWMQE-WCBMZHEXSA-N 1 2 295.347 -1.575 20 0 CAADLO O=C(Cc1[nH]cc[nH+]1)N[C@@H](CO)CNC(=O)c1ccn[nH]1 ZINC001382340370 888335232 /nfs/dbraw/zinc/33/52/32/888335232.db2.gz XEAGGICKQWIYMZ-MRVPVSSYSA-N 1 2 292.299 -1.418 20 0 CAADLO CN(C[C@H](O)C[NH2+]Cc1ncnn1C)C(=O)c1ccn[nH]1 ZINC001382384632 888344902 /nfs/dbraw/zinc/34/49/02/888344902.db2.gz FZGXAYMKUWTXMY-SECBINFHSA-N 1 2 293.331 -1.239 20 0 CAADLO O=C(Cn1cc[nH+]c1)NC[C@H](CO)NC(=O)c1ccn[nH]1 ZINC001382500033 888365548 /nfs/dbraw/zinc/36/55/48/888365548.db2.gz TXXCPWUQZUJDGL-SECBINFHSA-N 1 2 292.299 -1.487 20 0 CAADLO Cc1nn[nH]c1C(=O)N(C)C[C@@H](O)C[N@@H+](C)[C@@H](C)C(N)=O ZINC001382479927 888368842 /nfs/dbraw/zinc/36/88/42/888368842.db2.gz WDTJWFYNOROPBW-IUCAKERBSA-N 1 2 298.347 -1.648 20 0 CAADLO Cc1nn[nH]c1C(=O)N(C)C[C@@H](O)C[N@H+](C)[C@@H](C)C(N)=O ZINC001382479927 888368851 /nfs/dbraw/zinc/36/88/51/888368851.db2.gz WDTJWFYNOROPBW-IUCAKERBSA-N 1 2 298.347 -1.648 20 0 CAADLO COCC[N@H+](CCNC(=O)c1nnn(C)n1)[C@H](C)C(N)=O ZINC001382572648 888369887 /nfs/dbraw/zinc/36/98/87/888369887.db2.gz MBHMQWQJGIHYAT-MRVPVSSYSA-N 1 2 299.335 -2.238 20 0 CAADLO COCC[N@@H+](CCNC(=O)c1nnn(C)n1)[C@H](C)C(N)=O ZINC001382572648 888369903 /nfs/dbraw/zinc/36/99/03/888369903.db2.gz MBHMQWQJGIHYAT-MRVPVSSYSA-N 1 2 299.335 -2.238 20 0 CAADLO COCC[N@H+](CCNC(=O)c1nnn(C)n1)[C@@H](C)C(N)=O ZINC001382572649 888370255 /nfs/dbraw/zinc/37/02/55/888370255.db2.gz MBHMQWQJGIHYAT-QMMMGPOBSA-N 1 2 299.335 -2.238 20 0 CAADLO COCC[N@@H+](CCNC(=O)c1nnn(C)n1)[C@@H](C)C(N)=O ZINC001382572649 888370264 /nfs/dbraw/zinc/37/02/64/888370264.db2.gz MBHMQWQJGIHYAT-QMMMGPOBSA-N 1 2 299.335 -2.238 20 0 CAADLO COCC[N@H+](CCNC(=O)[C@@H]1CCOC1)[C@@H](C)C(N)=O ZINC001382545187 888371960 /nfs/dbraw/zinc/37/19/60/888371960.db2.gz RRMIOBVPLIQISM-WDEREUQCSA-N 1 2 287.360 -1.039 20 0 CAADLO COCC[N@@H+](CCNC(=O)[C@@H]1CCOC1)[C@@H](C)C(N)=O ZINC001382545187 888371966 /nfs/dbraw/zinc/37/19/66/888371966.db2.gz RRMIOBVPLIQISM-WDEREUQCSA-N 1 2 287.360 -1.039 20 0 CAADLO COCC[N@H+](CCNC(=O)[C@H]1CCOC1)[C@@H](C)C(N)=O ZINC001382545185 888372389 /nfs/dbraw/zinc/37/23/89/888372389.db2.gz RRMIOBVPLIQISM-QWRGUYRKSA-N 1 2 287.360 -1.039 20 0 CAADLO COCC[N@@H+](CCNC(=O)[C@H]1CCOC1)[C@@H](C)C(N)=O ZINC001382545185 888372400 /nfs/dbraw/zinc/37/24/00/888372400.db2.gz RRMIOBVPLIQISM-QWRGUYRKSA-N 1 2 287.360 -1.039 20 0 CAADLO O=C(Cc1[nH]cc[nH+]1)NC[C@@H](CO)NC(=O)c1cocn1 ZINC001382582238 888373407 /nfs/dbraw/zinc/37/34/07/888373407.db2.gz WHYDWWJKOSZDNI-QMMMGPOBSA-N 1 2 293.283 -1.153 20 0 CAADLO CO[C@H](C)C(=O)N[C@@H](CO)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001382659597 888376752 /nfs/dbraw/zinc/37/67/52/888376752.db2.gz QJRPZWHCJTVLME-PSASIEDQSA-N 1 2 284.316 -1.420 20 0 CAADLO COCCC(=O)N(C)C[C@@H](O)CNC(=O)Cn1cc[nH+]c1 ZINC001382886583 888379304 /nfs/dbraw/zinc/37/93/04/888379304.db2.gz LVYHLPQNOKRLTN-NSHDSACASA-N 1 2 298.343 -1.145 20 0 CAADLO CO[C@H](C)C(=O)N(C)C[C@H](O)CNC(=O)Cn1cc[nH+]c1 ZINC001382948638 888380873 /nfs/dbraw/zinc/38/08/73/888380873.db2.gz RFISLBXSDASKJS-GHMZBOCLSA-N 1 2 298.343 -1.147 20 0 CAADLO CCOCC(=O)NC[C@H](O)CN(C)C(=O)Cn1cc[nH+]c1 ZINC001383028014 888383242 /nfs/dbraw/zinc/38/32/42/888383242.db2.gz XWKNUTCIJRWIBX-NSHDSACASA-N 1 2 298.343 -1.145 20 0 CAADLO C[C@H](CN(C)C(=O)Cn1cc[nH+]c1)NC(=O)CNC(N)=O ZINC001383749899 888391303 /nfs/dbraw/zinc/39/13/03/888391303.db2.gz HELIFNZCJYELSF-SECBINFHSA-N 1 2 296.331 -1.486 20 0 CAADLO CO[C@@H](C)C(=O)NC[C@H](CO)NC(=O)CCc1c[nH]c[nH+]1 ZINC001383869104 888398485 /nfs/dbraw/zinc/39/84/85/888398485.db2.gz CNTQNYXGSZVNTE-GXSJLCMTSA-N 1 2 298.343 -1.030 20 0 CAADLO CO[C@@H](C)C(=O)NC[C@H](CO)NC(=O)CCc1c[nH+]c[nH]1 ZINC001383869104 888398496 /nfs/dbraw/zinc/39/84/96/888398496.db2.gz CNTQNYXGSZVNTE-GXSJLCMTSA-N 1 2 298.343 -1.030 20 0 CAADLO CO[C@@H](C)C(=O)NC[C@@H](CO)NC(=O)CCc1c[nH]c[nH+]1 ZINC001383869113 888398800 /nfs/dbraw/zinc/39/88/00/888398800.db2.gz CNTQNYXGSZVNTE-ONGXEEELSA-N 1 2 298.343 -1.030 20 0 CAADLO CO[C@@H](C)C(=O)NC[C@@H](CO)NC(=O)CCc1c[nH+]c[nH]1 ZINC001383869113 888398813 /nfs/dbraw/zinc/39/88/13/888398813.db2.gz CNTQNYXGSZVNTE-ONGXEEELSA-N 1 2 298.343 -1.030 20 0 CAADLO CO[C@H](C)C(=O)NC[C@@H](CO)NC(=O)CCc1c[nH]c[nH+]1 ZINC001383869108 888399579 /nfs/dbraw/zinc/39/95/79/888399579.db2.gz CNTQNYXGSZVNTE-KOLCDFICSA-N 1 2 298.343 -1.030 20 0 CAADLO CO[C@H](C)C(=O)NC[C@@H](CO)NC(=O)CCc1c[nH+]c[nH]1 ZINC001383869108 888399597 /nfs/dbraw/zinc/39/95/97/888399597.db2.gz CNTQNYXGSZVNTE-KOLCDFICSA-N 1 2 298.343 -1.030 20 0 CAADLO CO[C@@H](C)C(=O)NC[C@H](CO)NC(=O)CCc1[nH]cc[nH+]1 ZINC001383869028 888399853 /nfs/dbraw/zinc/39/98/53/888399853.db2.gz BOXNTCLZAMGUSS-VHSXEESVSA-N 1 2 298.343 -1.030 20 0 CAADLO CO[C@H](C)C(=O)NC[C@H](CO)NC(=O)CCc1[nH]cc[nH+]1 ZINC001383869026 888400150 /nfs/dbraw/zinc/40/01/50/888400150.db2.gz BOXNTCLZAMGUSS-NXEZZACHSA-N 1 2 298.343 -1.030 20 0 CAADLO CC(C)OCC(=O)NC[C@@H](CO)NC(=O)Cc1[nH]cc[nH+]1 ZINC001383883254 888401263 /nfs/dbraw/zinc/40/12/63/888401263.db2.gz ULNZQBOAKMAZBR-JTQLQIEISA-N 1 2 298.343 -1.030 20 0 CAADLO CC(C)OCC(=O)NC[C@H](CO)NC(=O)Cc1[nH]cc[nH+]1 ZINC001383883255 888401668 /nfs/dbraw/zinc/40/16/68/888401668.db2.gz ULNZQBOAKMAZBR-SNVBAGLBSA-N 1 2 298.343 -1.030 20 0 CAADLO O=C(Cn1cc[nH+]c1)N[C@H](CO)CNC(=O)c1ccn[nH]1 ZINC001383883193 888403642 /nfs/dbraw/zinc/40/36/42/888403642.db2.gz ZAPLVRIBJKXYJH-VIFPVBQESA-N 1 2 292.299 -1.487 20 0 CAADLO CC(C)(O)CC(=O)NC[C@H](CO)NC(=O)Cc1[nH]cc[nH+]1 ZINC001383905571 888406115 /nfs/dbraw/zinc/40/61/15/888406115.db2.gz VKDPORPRZYCWIM-SECBINFHSA-N 1 2 298.343 -1.294 20 0 CAADLO CC(C)(O)CC(=O)N[C@@H](CO)CNC(=O)Cn1cc[nH+]c1 ZINC001383955826 888408637 /nfs/dbraw/zinc/40/86/37/888408637.db2.gz SPNKJLFRRXOVFR-SNVBAGLBSA-N 1 2 298.343 -1.363 20 0 CAADLO COCCC(=O)N[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1O ZINC001383978687 888411666 /nfs/dbraw/zinc/41/16/66/888411666.db2.gz LLVPXSGAAUBEJR-GHMZBOCLSA-N 1 2 296.327 -1.393 20 0 CAADLO CO[C@@H](C)CC(=O)N[C@H](CO)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001384002225 888415082 /nfs/dbraw/zinc/41/50/82/888415082.db2.gz AVFZYIICAWQOFJ-UWVGGRQHSA-N 1 2 298.343 -1.030 20 0 CAADLO CSCC(=O)N[C@H](CO)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001384044112 888417540 /nfs/dbraw/zinc/41/75/40/888417540.db2.gz FKOYICXERHXEHU-VIFPVBQESA-N 1 2 286.357 -1.092 20 0 CAADLO COCC(=O)N(C)C[C@H](O)CNC(=O)CCn1cc[nH+]c1 ZINC001384178532 888419119 /nfs/dbraw/zinc/41/91/19/888419119.db2.gz MNLSCEYRUHKEMR-LLVKDONJSA-N 1 2 298.343 -1.145 20 0 CAADLO CO[C@@H](C)C(=O)N[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1O ZINC001384211166 888422451 /nfs/dbraw/zinc/42/24/51/888422451.db2.gz LPWOHCUOMMNXEP-AXFHLTTASA-N 1 2 296.327 -1.394 20 0 CAADLO CO[C@H](C)C(=O)N[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1O ZINC001384211170 888422750 /nfs/dbraw/zinc/42/27/50/888422750.db2.gz LPWOHCUOMMNXEP-MXWKQRLJSA-N 1 2 296.327 -1.394 20 0 CAADLO COCC(=O)NC[C@H](O)CN(C)C(=O)CCc1c[nH]c[nH+]1 ZINC001384227659 888423399 /nfs/dbraw/zinc/42/33/99/888423399.db2.gz HDNLNBLAYBLYKX-NSHDSACASA-N 1 2 298.343 -1.076 20 0 CAADLO COCC(=O)NC[C@H](O)CN(C)C(=O)CCc1c[nH+]c[nH]1 ZINC001384227659 888423415 /nfs/dbraw/zinc/42/34/15/888423415.db2.gz HDNLNBLAYBLYKX-NSHDSACASA-N 1 2 298.343 -1.076 20 0 CAADLO COCC(=O)N(C)C[C@@H](O)CN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001384268382 888426225 /nfs/dbraw/zinc/42/62/25/888426225.db2.gz AGHMXUPEIAMTHK-JTQLQIEISA-N 1 2 298.343 -1.124 20 0 CAADLO COCC(=O)N[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@@H]1O ZINC001384805911 888433804 /nfs/dbraw/zinc/43/38/04/888433804.db2.gz UPLNDUIFPXUSFD-MNOVXSKESA-N 1 2 296.327 -1.703 20 0 CAADLO NC(=O)NCC(=O)N[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001385898022 888448707 /nfs/dbraw/zinc/44/87/07/888448707.db2.gz DATZNQLLAQHIDD-QMMMGPOBSA-N 1 2 294.315 -1.662 20 0 CAADLO C[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)NC(=O)[C@@H]1COC(=O)N1 ZINC001386443961 888462657 /nfs/dbraw/zinc/46/26/57/888462657.db2.gz PEMMRBBPMXRVGI-YUMQZZPRSA-N 1 2 295.299 -1.319 20 0 CAADLO CNC(=O)NCC(=O)NC[C@@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001386845672 888473266 /nfs/dbraw/zinc/47/32/66/888473266.db2.gz FCICMBCMCRDDSG-SECBINFHSA-N 1 2 296.331 -1.567 20 0 CAADLO CNC(=O)NCC(=O)NC[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001386845681 888474215 /nfs/dbraw/zinc/47/42/15/888474215.db2.gz FCICMBCMCRDDSG-VIFPVBQESA-N 1 2 296.331 -1.567 20 0 CAADLO CN(CCNC(=O)[C@@H]1CCC(=O)N1)C(=O)Cc1[nH]cc[nH+]1 ZINC001387025414 888477670 /nfs/dbraw/zinc/47/76/70/888477670.db2.gz QWNHJJRIBMRQAZ-VIFPVBQESA-N 1 2 293.327 -1.195 20 0 CAADLO CNC(=O)NCC(=O)N(C)CCNC(=O)Cc1[nH]cc[nH+]1 ZINC001387072914 888479037 /nfs/dbraw/zinc/47/90/37/888479037.db2.gz YYOSJWLRJSUTJK-UHFFFAOYSA-N 1 2 296.331 -1.544 20 0 CAADLO COC(=O)NCC(=O)N[C@@H](C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001387068484 888479750 /nfs/dbraw/zinc/47/97/50/888479750.db2.gz CCOOIUARWSDOJP-QMMMGPOBSA-N 1 2 297.315 -1.071 20 0 CAADLO C[C@H](CNC(=O)Cc1[nH]cc[nH+]1)NC(=O)Cn1cncn1 ZINC001387070139 888479759 /nfs/dbraw/zinc/47/97/59/888479759.db2.gz HVKWPKAPPMOOGF-SECBINFHSA-N 1 2 291.315 -1.135 20 0 CAADLO CC(=O)N(C)CC[NH+]1CCN(C(=O)CCNC(N)=O)CC1 ZINC001387589657 888486300 /nfs/dbraw/zinc/48/63/00/888486300.db2.gz JMAIOMWMOAKBDN-UHFFFAOYSA-N 1 2 299.375 -1.333 20 0 CAADLO CC(=O)N[C@@H](C)C(=O)NC1CN(C(=O)Cn2cc[nH+]c2)C1 ZINC001387689442 888488302 /nfs/dbraw/zinc/48/83/02/888488302.db2.gz HMRHDLMNLMPSAF-VIFPVBQESA-N 1 2 293.327 -1.265 20 0 CAADLO CN(CCNC(=O)Cn1cnnn1)C(=O)Cc1c[nH+]c[nH]1 ZINC001387626269 888489373 /nfs/dbraw/zinc/48/93/73/888489373.db2.gz KJGIMIVECJPXFV-UHFFFAOYSA-N 1 2 292.303 -1.787 20 0 CAADLO CC(=O)N[C@@H](C)C(=O)NC1CN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001387692068 888491391 /nfs/dbraw/zinc/49/13/91/888491391.db2.gz QGAGOMGPYKBVOE-QMMMGPOBSA-N 1 2 293.327 -1.196 20 0 CAADLO CC(=O)NCC(=O)NC1CN(C(=O)Cn2cc[nH+]c2)C1 ZINC001387693727 888491474 /nfs/dbraw/zinc/49/14/74/888491474.db2.gz YJJQMPQXDJWVHZ-UHFFFAOYSA-N 1 2 279.300 -1.654 20 0 CAADLO NC(=O)CCCC(=O)N1CC(NC(=O)Cn2cc[nH+]c2)C1 ZINC001387756203 888492450 /nfs/dbraw/zinc/49/24/50/888492450.db2.gz JTXAPNSHFPPQQR-UHFFFAOYSA-N 1 2 293.327 -1.134 20 0 CAADLO C[C@H](CC(N)=O)C(=O)N1CC(NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001387830746 888498033 /nfs/dbraw/zinc/49/80/33/888498033.db2.gz KFWBPKLHFRAJOZ-MRVPVSSYSA-N 1 2 293.327 -1.209 20 0 CAADLO CNC(=O)NCC(=O)N1CC(NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001387831442 888498505 /nfs/dbraw/zinc/49/85/05/888498505.db2.gz PALVLOWCJIKOEF-UHFFFAOYSA-N 1 2 294.315 -1.792 20 0 CAADLO CN(CCNC(=O)Cn1cc[nH+]c1)C(=O)c1cnn(C)n1 ZINC001387860719 888498835 /nfs/dbraw/zinc/49/88/35/888498835.db2.gz ADWQELLPSDDRJC-UHFFFAOYSA-N 1 2 291.315 -1.100 20 0 CAADLO CN(CCNC(=O)CCn1cc[nH+]c1)C(=O)CNC(N)=O ZINC001387927385 888502295 /nfs/dbraw/zinc/50/22/95/888502295.db2.gz FQYLVHXZFPYVRK-UHFFFAOYSA-N 1 2 296.331 -1.484 20 0 CAADLO CN(CCNC(=O)Cc1c[nH]c[nH+]1)C(=O)CNC(N)=O ZINC001388141415 888505741 /nfs/dbraw/zinc/50/57/41/888505741.db2.gz QSXVMCKSIYLCDS-UHFFFAOYSA-N 1 2 282.304 -1.805 20 0 CAADLO CC(=O)NCC(=O)N(C)CCN(C)C(=O)Cn1cc[nH+]c1 ZINC001388948125 888511301 /nfs/dbraw/zinc/51/13/01/888511301.db2.gz BUQPJDBEMCCQBI-UHFFFAOYSA-N 1 2 295.343 -1.064 20 0 CAADLO C[C@@H]1[C@@H](NC(=O)CCc2nnc[nH]2)CC[N@@H+]1CC(N)=O ZINC001388801902 888513728 /nfs/dbraw/zinc/51/37/28/888513728.db2.gz QPMWXJCMVDXMPS-BDAKNGLRSA-N 1 2 280.332 -1.198 20 0 CAADLO C[C@@H]1[C@@H](NC(=O)CCc2nnc[nH]2)CC[N@H+]1CC(N)=O ZINC001388801902 888513741 /nfs/dbraw/zinc/51/37/41/888513741.db2.gz QPMWXJCMVDXMPS-BDAKNGLRSA-N 1 2 280.332 -1.198 20 0 CAADLO CC(=O)N(C)CC[NH+]1CCN(C(=O)Cn2ncnn2)CC1 ZINC001388783784 888513818 /nfs/dbraw/zinc/51/38/18/888513818.db2.gz QVTRYZKMVCHHOP-UHFFFAOYSA-N 1 2 295.347 -1.704 20 0 CAADLO COCC(=O)NC[C@H](O)CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001389051505 888519355 /nfs/dbraw/zinc/51/93/55/888519355.db2.gz YBOLRYFKYMJHBR-IVZWLZJFSA-N 1 2 296.327 -1.247 20 0 CAADLO COCC(=O)NC[C@H](O)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001389051505 888519362 /nfs/dbraw/zinc/51/93/62/888519362.db2.gz YBOLRYFKYMJHBR-IVZWLZJFSA-N 1 2 296.327 -1.247 20 0 CAADLO CC[C@@H](OC)C(=O)NC[C@@H](O)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001389075440 888521856 /nfs/dbraw/zinc/52/18/56/888521856.db2.gz JYMNZCNRIMTFQZ-VHSXEESVSA-N 1 2 298.343 -1.030 20 0 CAADLO O=C(Cc1c[nH]c[nH+]1)NC[C@@H](O)CNC(=O)[C@@H]1CCOC1 ZINC001389071608 888522632 /nfs/dbraw/zinc/52/26/32/888522632.db2.gz CKUWGGLJJDTTBV-MWLCHTKSSA-N 1 2 296.327 -1.418 20 0 CAADLO CC[C@@H](OC)C(=O)NC[C@H](O)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001389075435 888522795 /nfs/dbraw/zinc/52/27/95/888522795.db2.gz JYMNZCNRIMTFQZ-NXEZZACHSA-N 1 2 298.343 -1.030 20 0 CAADLO O=C(Cn1cc[nH+]c1)NC[C@H](O)CNC(=O)c1ccon1 ZINC001389075310 888523258 /nfs/dbraw/zinc/52/32/58/888523258.db2.gz XGEWPODMOGWSLW-VIFPVBQESA-N 1 2 293.283 -1.222 20 0 CAADLO COC(=O)NCC(=O)N[C@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001389142592 888530025 /nfs/dbraw/zinc/53/00/25/888530025.db2.gz GJKDQJRAOIYJFE-SECBINFHSA-N 1 2 297.315 -1.140 20 0 CAADLO C[C@H](CNC(=O)c1nnn(C)n1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001389284287 888537510 /nfs/dbraw/zinc/53/75/10/888537510.db2.gz BRLGBOOMAIUPDR-SSDOTTSWSA-N 1 2 292.303 -1.590 20 0 CAADLO C[C@@H](CC(N)=O)C(=O)NC1CN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001389343789 888541846 /nfs/dbraw/zinc/54/18/46/888541846.db2.gz PVOYSNBQNXLOBF-QMMMGPOBSA-N 1 2 293.327 -1.209 20 0 CAADLO COCC(=O)NCC[NH+]1CCN(Cc2nncn2C)CC1 ZINC001389399407 888546217 /nfs/dbraw/zinc/54/62/17/888546217.db2.gz ISICUXKLDWKHOA-UHFFFAOYSA-N 1 2 296.375 -1.305 20 0 CAADLO CC(C)(O)CC(=O)N[C@H]1CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001389449445 888548498 /nfs/dbraw/zinc/54/84/98/888548498.db2.gz JDSHQPSKJAMTHC-QMMMGPOBSA-N 1 2 286.332 -1.467 20 0 CAADLO CC(C)(O)CC(=O)N[C@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001389449445 888548508 /nfs/dbraw/zinc/54/85/08/888548508.db2.gz JDSHQPSKJAMTHC-QMMMGPOBSA-N 1 2 286.332 -1.467 20 0 CAADLO C[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)NC(=O)[C@@H]1CCC(=O)N1 ZINC001389451321 888549385 /nfs/dbraw/zinc/54/93/85/888549385.db2.gz VTJRGGDNCQOFEJ-IUCAKERBSA-N 1 2 293.327 -1.148 20 0 CAADLO Cn1nccc1COCC(=O)N[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001389464270 888549427 /nfs/dbraw/zinc/54/94/27/888549427.db2.gz KBBUBKYZWWKIFB-JTQLQIEISA-N 1 2 295.343 -1.388 20 0 CAADLO Cn1nccc1COCC(=O)N[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001389464270 888549434 /nfs/dbraw/zinc/54/94/34/888549434.db2.gz KBBUBKYZWWKIFB-JTQLQIEISA-N 1 2 295.343 -1.388 20 0 CAADLO COC[C@@H](OC)C(=O)N1CC(NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001389486537 888550641 /nfs/dbraw/zinc/55/06/41/888550641.db2.gz NTNSSYQOVOKYJW-LLVKDONJSA-N 1 2 296.327 -1.059 20 0 CAADLO CNC(=O)NCC(=O)N[C@@H]1CC[N@H+](Cc2cnnn2C)C1 ZINC001389455855 888551526 /nfs/dbraw/zinc/55/15/26/888551526.db2.gz PCXKOEFVYLYWIF-SECBINFHSA-N 1 2 295.347 -1.565 20 0 CAADLO CNC(=O)NCC(=O)N[C@@H]1CC[N@@H+](Cc2cnnn2C)C1 ZINC001389455855 888551535 /nfs/dbraw/zinc/55/15/35/888551535.db2.gz PCXKOEFVYLYWIF-SECBINFHSA-N 1 2 295.347 -1.565 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H](C)NC(N)=O)C1 ZINC001389455624 888551668 /nfs/dbraw/zinc/55/16/68/888551668.db2.gz CIZQIUDWRFUEIJ-YUMQZZPRSA-N 1 2 271.321 -2.020 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@H](C)NC(N)=O)C1 ZINC001389455624 888551674 /nfs/dbraw/zinc/55/16/74/888551674.db2.gz CIZQIUDWRFUEIJ-YUMQZZPRSA-N 1 2 271.321 -2.020 20 0 CAADLO CC(=O)NCC(=O)NC[C@@H]1CCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001389574725 888552849 /nfs/dbraw/zinc/55/28/49/888552849.db2.gz SRRVHPLCFDLYOT-JTQLQIEISA-N 1 2 293.327 -1.195 20 0 CAADLO CC(=O)NCC(=O)NC[C@H]1CCN1C(=O)Cn1cc[nH+]c1 ZINC001389580597 888553265 /nfs/dbraw/zinc/55/32/65/888553265.db2.gz YTLZPGWVBNFCRH-LLVKDONJSA-N 1 2 293.327 -1.264 20 0 CAADLO COC(=O)NCC(=O)N[C@H]1C[C@H]([NH2+]Cc2nnn(C)n2)C1 ZINC001389830584 888563988 /nfs/dbraw/zinc/56/39/88/888563988.db2.gz CSXWBFUXFQPSJO-ZKCHVHJHSA-N 1 2 297.319 -1.697 20 0 CAADLO C[C@@H](CNC(=O)c1ccn[nH]1)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001390282816 888574378 /nfs/dbraw/zinc/57/43/78/888574378.db2.gz FZQQTCPREXDOLE-ZETCQYMHSA-N 1 2 279.304 -1.260 20 0 CAADLO C[C@@H](CNC(=O)c1ncc[nH]1)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001390362410 888577689 /nfs/dbraw/zinc/57/76/89/888577689.db2.gz MACXFZUJEGJTJO-ZETCQYMHSA-N 1 2 279.304 -1.260 20 0 CAADLO C[C@@H](CNC(=O)c1ncn(C)n1)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001390377965 888578009 /nfs/dbraw/zinc/57/80/09/888578009.db2.gz YBNRFLYDPCBADM-ZETCQYMHSA-N 1 2 294.319 -1.855 20 0 CAADLO C[C@H](CNC(=O)Cc1cnoc1)[NH2+]Cc1nn(C)c(=O)[nH]1 ZINC001390458234 888579971 /nfs/dbraw/zinc/57/99/71/888579971.db2.gz MZWGWYUHEWAEBM-MRVPVSSYSA-N 1 2 294.315 -1.067 20 0 CAADLO Cc1nn[nH]c1C(=O)NC[C@@H](C)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001390459730 888580639 /nfs/dbraw/zinc/58/06/39/888580639.db2.gz UFGAMDJSKOFZMZ-ZCFIWIBFSA-N 1 2 294.319 -1.557 20 0 CAADLO C[C@@H](CNC(=O)c1cncn1C)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001390445581 888580792 /nfs/dbraw/zinc/58/07/92/888580792.db2.gz XBRQFMONOBNGHA-QMMMGPOBSA-N 1 2 293.331 -1.250 20 0 CAADLO C[C@H](CNC(=O)c1cn[nH]n1)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001390422607 888580992 /nfs/dbraw/zinc/58/09/92/888580992.db2.gz BFAVNABMRXNQPF-ZCFIWIBFSA-N 1 2 280.292 -1.865 20 0 CAADLO C[C@H](CNC(=O)c1cnn[nH]1)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001390422607 888581004 /nfs/dbraw/zinc/58/10/04/888581004.db2.gz BFAVNABMRXNQPF-ZCFIWIBFSA-N 1 2 280.292 -1.865 20 0 CAADLO C[C@@H](CNC(=O)Cc1cnoc1)[NH2+]Cc1nn(C)c(=O)[nH]1 ZINC001390458236 888582482 /nfs/dbraw/zinc/58/24/82/888582482.db2.gz MZWGWYUHEWAEBM-QMMMGPOBSA-N 1 2 294.315 -1.067 20 0 CAADLO C[C@H](CNC(=O)c1cncn1C)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001390445421 888582697 /nfs/dbraw/zinc/58/26/97/888582697.db2.gz XBRQFMONOBNGHA-MRVPVSSYSA-N 1 2 293.331 -1.250 20 0 CAADLO C[C@@H](CNC(=O)c1cn[nH]n1)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001390422590 888582811 /nfs/dbraw/zinc/58/28/11/888582811.db2.gz BFAVNABMRXNQPF-LURJTMIESA-N 1 2 280.292 -1.865 20 0 CAADLO C[C@@H](CNC(=O)c1cnn[nH]1)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001390422590 888582815 /nfs/dbraw/zinc/58/28/15/888582815.db2.gz BFAVNABMRXNQPF-LURJTMIESA-N 1 2 280.292 -1.865 20 0 CAADLO C[C@@H](CNC(=O)CCCC(N)=O)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001390547613 888589289 /nfs/dbraw/zinc/58/92/89/888589289.db2.gz VEAKDLVUDWRJEC-QMMMGPOBSA-N 1 2 298.347 -1.642 20 0 CAADLO CC(=O)N[C@@H](C)C(=O)NCC[N@H+](C)Cc1nc(=O)n(C)[nH]1 ZINC001390729467 888594922 /nfs/dbraw/zinc/59/49/22/888594922.db2.gz DJUSQCICNWBMFJ-QMMMGPOBSA-N 1 2 298.347 -1.819 20 0 CAADLO CC(=O)N[C@@H](C)C(=O)NCC[N@@H+](C)Cc1nc(=O)n(C)[nH]1 ZINC001390729467 888594929 /nfs/dbraw/zinc/59/49/29/888594929.db2.gz DJUSQCICNWBMFJ-QMMMGPOBSA-N 1 2 298.347 -1.819 20 0 CAADLO CCNC(=O)C[N@H+](C)CCNC(=O)CN(C)C(C)=O ZINC001390729704 888595786 /nfs/dbraw/zinc/59/57/86/888595786.db2.gz JFRSOUBGHDRGEH-UHFFFAOYSA-N 1 2 272.349 -1.351 20 0 CAADLO CCNC(=O)C[N@@H+](C)CCNC(=O)CN(C)C(C)=O ZINC001390729704 888595800 /nfs/dbraw/zinc/59/58/00/888595800.db2.gz JFRSOUBGHDRGEH-UHFFFAOYSA-N 1 2 272.349 -1.351 20 0 CAADLO CCCNC(=O)C[N@H+](C)CCNC(=O)Cn1cnnn1 ZINC001390737479 888596043 /nfs/dbraw/zinc/59/60/43/888596043.db2.gz WCQFEVPTSUMHDC-UHFFFAOYSA-N 1 2 283.336 -1.753 20 0 CAADLO CCCNC(=O)C[N@@H+](C)CCNC(=O)Cn1cnnn1 ZINC001390737479 888596055 /nfs/dbraw/zinc/59/60/55/888596055.db2.gz WCQFEVPTSUMHDC-UHFFFAOYSA-N 1 2 283.336 -1.753 20 0 CAADLO Cn1[nH]c(C[N@H+](C)CCNC(=O)C2=COCCO2)nc1=O ZINC001390737024 888597644 /nfs/dbraw/zinc/59/76/44/888597644.db2.gz VBKOOFZMIROSQP-UHFFFAOYSA-N 1 2 297.315 -1.455 20 0 CAADLO Cn1[nH]c(C[N@@H+](C)CCNC(=O)C2=COCCO2)nc1=O ZINC001390737024 888597665 /nfs/dbraw/zinc/59/76/65/888597665.db2.gz VBKOOFZMIROSQP-UHFFFAOYSA-N 1 2 297.315 -1.455 20 0 CAADLO Cc1nnc(CC(=O)NCC[N@@H+](C)CC(=O)NC2CC2)[nH]1 ZINC001390757592 888598066 /nfs/dbraw/zinc/59/80/66/888598066.db2.gz VNUHKYVNGDXBCD-UHFFFAOYSA-N 1 2 294.359 -1.018 20 0 CAADLO Cc1nnc(CC(=O)NCC[N@H+](C)CC(=O)NC2CC2)[nH]1 ZINC001390757592 888598075 /nfs/dbraw/zinc/59/80/75/888598075.db2.gz VNUHKYVNGDXBCD-UHFFFAOYSA-N 1 2 294.359 -1.018 20 0 CAADLO CC[C@@H](C)NC(=O)C[N@H+](C)CCNC(=O)Cn1cnnn1 ZINC001390728805 888598126 /nfs/dbraw/zinc/59/81/26/888598126.db2.gz DTYURKPYMNBXAY-SNVBAGLBSA-N 1 2 297.363 -1.364 20 0 CAADLO CC[C@@H](C)NC(=O)C[N@@H+](C)CCNC(=O)Cn1cnnn1 ZINC001390728805 888598134 /nfs/dbraw/zinc/59/81/34/888598134.db2.gz DTYURKPYMNBXAY-SNVBAGLBSA-N 1 2 297.363 -1.364 20 0 CAADLO C[N@H+](CCNC(=O)CNC(=O)N1CCCC1)CC(N)=O ZINC001390758675 888598353 /nfs/dbraw/zinc/59/83/53/888598353.db2.gz QOZOZADXSPGSKR-UHFFFAOYSA-N 1 2 285.348 -1.675 20 0 CAADLO COC(=O)NCC(=O)NCC[N@H+](C)CC(=O)N(C)C ZINC001390738793 888598418 /nfs/dbraw/zinc/59/84/18/888598418.db2.gz HLBVCEWXICPHST-UHFFFAOYSA-N 1 2 274.321 -1.521 20 0 CAADLO COC(=O)NCC(=O)NCC[N@@H+](C)CC(=O)N(C)C ZINC001390738793 888598423 /nfs/dbraw/zinc/59/84/23/888598423.db2.gz HLBVCEWXICPHST-UHFFFAOYSA-N 1 2 274.321 -1.521 20 0 CAADLO C[C@H](CC(N)=O)C(=O)NCC[N@H+](C)CC(=O)N1CCC1 ZINC001390796198 888599693 /nfs/dbraw/zinc/59/96/93/888599693.db2.gz IWUYUYSMTVHWKJ-SNVBAGLBSA-N 1 2 284.360 -1.222 20 0 CAADLO C[C@H](CC(N)=O)C(=O)NCC[N@@H+](C)CC(=O)N1CCC1 ZINC001390796198 888599704 /nfs/dbraw/zinc/59/97/04/888599704.db2.gz IWUYUYSMTVHWKJ-SNVBAGLBSA-N 1 2 284.360 -1.222 20 0 CAADLO C[N@H+](CCNC(=O)[C@@H]1CCNC(=O)CC1)CC(N)=O ZINC001390790535 888599762 /nfs/dbraw/zinc/59/97/62/888599762.db2.gz CMWSODJNUBFBKO-VIFPVBQESA-N 1 2 270.333 -1.564 20 0 CAADLO C[N@@H+](CCNC(=O)[C@@H]1CCNC(=O)CC1)CC(N)=O ZINC001390790535 888599771 /nfs/dbraw/zinc/59/97/71/888599771.db2.gz CMWSODJNUBFBKO-VIFPVBQESA-N 1 2 270.333 -1.564 20 0 CAADLO C[N@H+](CCNC(=O)c1ccnc2c1CC(=O)N2)CC(N)=O ZINC001390781571 888599831 /nfs/dbraw/zinc/59/98/31/888599831.db2.gz LIZNVBKDYYWSDW-UHFFFAOYSA-N 1 2 291.311 -1.277 20 0 CAADLO C[N@@H+](CCNC(=O)c1ccnc2c1CC(=O)N2)CC(N)=O ZINC001390781571 888599838 /nfs/dbraw/zinc/59/98/38/888599838.db2.gz LIZNVBKDYYWSDW-UHFFFAOYSA-N 1 2 291.311 -1.277 20 0 CAADLO Cn1nccc1C[N@H+](C)CCNC(=O)[C@@H]1CNC(=O)N1 ZINC001390810033 888599990 /nfs/dbraw/zinc/59/99/90/888599990.db2.gz UKAVDLOXLZKOGU-JTQLQIEISA-N 1 2 280.332 -1.351 20 0 CAADLO Cn1nccc1C[N@@H+](C)CCNC(=O)[C@@H]1CNC(=O)N1 ZINC001390810033 888599999 /nfs/dbraw/zinc/59/99/99/888599999.db2.gz UKAVDLOXLZKOGU-JTQLQIEISA-N 1 2 280.332 -1.351 20 0 CAADLO C[N@H+](CCNC(=O)C1(NC(N)=O)CCCCC1)CC(N)=O ZINC001390823929 888600039 /nfs/dbraw/zinc/60/00/39/888600039.db2.gz JCGWGIZFZGYZRF-UHFFFAOYSA-N 1 2 299.375 -1.109 20 0 CAADLO C[N@@H+](CCNC(=O)C1(NC(N)=O)CCCCC1)CC(N)=O ZINC001390823929 888600049 /nfs/dbraw/zinc/60/00/49/888600049.db2.gz JCGWGIZFZGYZRF-UHFFFAOYSA-N 1 2 299.375 -1.109 20 0 CAADLO CNC(=O)C[N@@H+](C)CCNC(=O)[C@@H]1CCC(=O)N1C ZINC001390804764 888600829 /nfs/dbraw/zinc/60/08/29/888600829.db2.gz NPBYONNQENUPCH-VIFPVBQESA-N 1 2 270.333 -1.599 20 0 CAADLO CNC(=O)C[N@H+](C)CCNC(=O)[C@@H]1CCC(=O)N1C ZINC001390804764 888600817 /nfs/dbraw/zinc/60/08/17/888600817.db2.gz NPBYONNQENUPCH-VIFPVBQESA-N 1 2 270.333 -1.599 20 0 CAADLO CN(C)C(=O)C[N@H+](C)CCNC(=O)CN1CCCNC1=O ZINC001390782879 888601232 /nfs/dbraw/zinc/60/12/32/888601232.db2.gz WSUKMFRVCVUHIF-UHFFFAOYSA-N 1 2 299.375 -1.462 20 0 CAADLO CN(C)C(=O)C[N@@H+](C)CCNC(=O)CN1CCCNC1=O ZINC001390782879 888601239 /nfs/dbraw/zinc/60/12/39/888601239.db2.gz WSUKMFRVCVUHIF-UHFFFAOYSA-N 1 2 299.375 -1.462 20 0 CAADLO CNC(=O)NC(=O)[C@@H](C)[N@H+](C)CCNC(=O)c1cn[nH]n1 ZINC001390780151 888602507 /nfs/dbraw/zinc/60/25/07/888602507.db2.gz QQTPGTDRYHLPQH-SSDOTTSWSA-N 1 2 297.319 -1.690 20 0 CAADLO CNC(=O)NC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)c1cn[nH]n1 ZINC001390780151 888602520 /nfs/dbraw/zinc/60/25/20/888602520.db2.gz QQTPGTDRYHLPQH-SSDOTTSWSA-N 1 2 297.319 -1.690 20 0 CAADLO CNC(=O)NC(=O)[C@@H](C)[N@H+](C)CCNC(=O)c1cnn[nH]1 ZINC001390780151 888602531 /nfs/dbraw/zinc/60/25/31/888602531.db2.gz QQTPGTDRYHLPQH-SSDOTTSWSA-N 1 2 297.319 -1.690 20 0 CAADLO CNC(=O)NC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)c1cnn[nH]1 ZINC001390780151 888602543 /nfs/dbraw/zinc/60/25/43/888602543.db2.gz QQTPGTDRYHLPQH-SSDOTTSWSA-N 1 2 297.319 -1.690 20 0 CAADLO C[N@H+](CCNC(=O)C[C@@H]1CCNC1=O)CC(=O)N1CCC1 ZINC001390768643 888602632 /nfs/dbraw/zinc/60/26/32/888602632.db2.gz QXNHRFIHJFUXMP-NSHDSACASA-N 1 2 296.371 -1.207 20 0 CAADLO C[N@@H+](CCNC(=O)C[C@@H]1CCNC1=O)CC(=O)N1CCC1 ZINC001390768643 888602639 /nfs/dbraw/zinc/60/26/39/888602639.db2.gz QXNHRFIHJFUXMP-NSHDSACASA-N 1 2 296.371 -1.207 20 0 CAADLO CCS(=O)(=O)N(C)CC(=O)NCC[N@H+](C)CC(N)=O ZINC001390847748 888604724 /nfs/dbraw/zinc/60/47/24/888604724.db2.gz YGTGVTPKGKNMAG-UHFFFAOYSA-N 1 2 294.377 -2.199 20 0 CAADLO CCS(=O)(=O)N(C)CC(=O)NCC[N@@H+](C)CC(N)=O ZINC001390847748 888604735 /nfs/dbraw/zinc/60/47/35/888604735.db2.gz YGTGVTPKGKNMAG-UHFFFAOYSA-N 1 2 294.377 -2.199 20 0 CAADLO Cn1cc(C(=O)NCC[N@H+](C)CC(N)=O)c(=O)[nH]c1=O ZINC001390857721 888605094 /nfs/dbraw/zinc/60/50/94/888605094.db2.gz CUGURZCAIXELJY-UHFFFAOYSA-N 1 2 283.288 -2.367 20 0 CAADLO Cn1cc(C(=O)NCC[N@@H+](C)CC(N)=O)c(=O)[nH]c1=O ZINC001390857721 888605104 /nfs/dbraw/zinc/60/51/04/888605104.db2.gz CUGURZCAIXELJY-UHFFFAOYSA-N 1 2 283.288 -2.367 20 0 CAADLO C[N@H+](CCNC(=O)Cc1nc[nH]n1)CC(=O)N1CCC1 ZINC001390838799 888606204 /nfs/dbraw/zinc/60/62/04/888606204.db2.gz CNOOODUQUCYZRK-UHFFFAOYSA-N 1 2 280.332 -1.373 20 0 CAADLO C[N@@H+](CCNC(=O)Cc1nc[nH]n1)CC(=O)N1CCC1 ZINC001390838799 888606218 /nfs/dbraw/zinc/60/62/18/888606218.db2.gz CNOOODUQUCYZRK-UHFFFAOYSA-N 1 2 280.332 -1.373 20 0 CAADLO CNC(=O)C[N@H+](C)CCNC(=O)[C@@H]1CCCCN1C(N)=O ZINC001390838687 888606652 /nfs/dbraw/zinc/60/66/52/888606652.db2.gz AURTXSXNCHPOIB-JTQLQIEISA-N 1 2 299.375 -1.286 20 0 CAADLO CNC(=O)C[N@@H+](C)CCNC(=O)[C@@H]1CCCCN1C(N)=O ZINC001390838687 888606664 /nfs/dbraw/zinc/60/66/64/888606664.db2.gz AURTXSXNCHPOIB-JTQLQIEISA-N 1 2 299.375 -1.286 20 0 CAADLO CC[N@H+](CCNC(=O)[C@H](C)NC(N)=O)Cc1cnnn1C ZINC001390899522 888606818 /nfs/dbraw/zinc/60/68/18/888606818.db2.gz IOKVOIMRBMQEOX-VIFPVBQESA-N 1 2 297.363 -1.190 20 0 CAADLO CC[N@@H+](CCNC(=O)[C@H](C)NC(N)=O)Cc1cnnn1C ZINC001390899522 888606826 /nfs/dbraw/zinc/60/68/26/888606826.db2.gz IOKVOIMRBMQEOX-VIFPVBQESA-N 1 2 297.363 -1.190 20 0 CAADLO CCCNC(=O)C[N@H+](C)CCNC(=O)Cn1cncn1 ZINC001390852971 888607563 /nfs/dbraw/zinc/60/75/63/888607563.db2.gz WPBXSZOTOPWMDZ-UHFFFAOYSA-N 1 2 282.348 -1.148 20 0 CAADLO CCCNC(=O)C[N@@H+](C)CCNC(=O)Cn1cncn1 ZINC001390852971 888607572 /nfs/dbraw/zinc/60/75/72/888607572.db2.gz WPBXSZOTOPWMDZ-UHFFFAOYSA-N 1 2 282.348 -1.148 20 0 CAADLO CNC(=O)NCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC(N)=O ZINC001391245846 888619095 /nfs/dbraw/zinc/61/90/95/888619095.db2.gz GQGFYIIETAZKON-DTORHVGOSA-N 1 2 283.332 -1.924 20 0 CAADLO CNC(=O)NCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(N)=O ZINC001391245846 888619104 /nfs/dbraw/zinc/61/91/04/888619104.db2.gz GQGFYIIETAZKON-DTORHVGOSA-N 1 2 283.332 -1.924 20 0 CAADLO CS(=O)(=O)CC(=O)NCC[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001391297476 888620755 /nfs/dbraw/zinc/62/07/55/888620755.db2.gz LJHMVFNKIYMABE-SECBINFHSA-N 1 2 291.373 -1.656 20 0 CAADLO CS(=O)(=O)CC(=O)NCC[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001391297476 888620759 /nfs/dbraw/zinc/62/07/59/888620759.db2.gz LJHMVFNKIYMABE-SECBINFHSA-N 1 2 291.373 -1.656 20 0 CAADLO CNC(=O)C[N@@H+]1CCC[C@H](NC(=O)[C@H](C)NC(N)=O)C1 ZINC001391387615 888622936 /nfs/dbraw/zinc/62/29/36/888622936.db2.gz DTEOXNLLGVAZGF-IUCAKERBSA-N 1 2 285.348 -1.630 20 0 CAADLO CNC(=O)C[N@H+]1CCC[C@H](NC(=O)[C@H](C)NC(N)=O)C1 ZINC001391387615 888622946 /nfs/dbraw/zinc/62/29/46/888622946.db2.gz DTEOXNLLGVAZGF-IUCAKERBSA-N 1 2 285.348 -1.630 20 0 CAADLO COC[C@H](O)C[NH+]1CC(NC(=O)[C@H](C)NC(C)=O)C1 ZINC001391405621 888625521 /nfs/dbraw/zinc/62/55/21/888625521.db2.gz BQZAMHYYLHUONA-GZMMTYOYSA-N 1 2 273.333 -1.681 20 0 CAADLO CCS(=O)(=O)NCC(=O)NC1C[NH+]([C@@H](C)COC)C1 ZINC001391426441 888627335 /nfs/dbraw/zinc/62/73/35/888627335.db2.gz CVCSEBNGKPLFIB-VIFPVBQESA-N 1 2 293.389 -1.239 20 0 CAADLO COCC(=O)N(C)CC(=O)NC1C[NH+](C[C@H](C)O)C1 ZINC001391432423 888627371 /nfs/dbraw/zinc/62/73/71/888627371.db2.gz UNYQAUDRMYPGPE-VIFPVBQESA-N 1 2 273.333 -1.728 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(NC(=O)[C@@]2(C)CCNC(=O)C2)C1 ZINC001391420736 888627629 /nfs/dbraw/zinc/62/76/29/888627629.db2.gz NUIMDWNTRQHCMF-FZMZJTMJSA-N 1 2 299.371 -1.290 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(NC(=O)[C@]2(C)CCNC(=O)C2)C1 ZINC001391420743 888627731 /nfs/dbraw/zinc/62/77/31/888627731.db2.gz NUIMDWNTRQHCMF-SMDDNHRTSA-N 1 2 299.371 -1.290 20 0 CAADLO COC[C@H](C)[NH+]1CC(NC(=O)CN(C)S(C)(=O)=O)C1 ZINC001391432057 888627800 /nfs/dbraw/zinc/62/78/00/888627800.db2.gz RJXZESVGERDYMC-VIFPVBQESA-N 1 2 293.389 -1.287 20 0 CAADLO CCS(=O)(=O)NCC(=O)NC1C[NH+](CCOC)C1 ZINC001391432408 888627953 /nfs/dbraw/zinc/62/79/53/888627953.db2.gz ULDMXFLIRYAXIH-UHFFFAOYSA-N 1 2 279.362 -1.628 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(NC(=O)[C@@H]2CCC(=O)N2C)C1 ZINC001391440360 888628192 /nfs/dbraw/zinc/62/81/92/888628192.db2.gz XVQRGKKOPJMVKB-QWRGUYRKSA-N 1 2 285.344 -1.585 20 0 CAADLO COC[C@H](O)C[NH+]1CC(NC(=O)Cn2ncnn2)C1 ZINC001391424234 888628929 /nfs/dbraw/zinc/62/89/29/888628929.db2.gz XPYMFZHXIGAPST-SECBINFHSA-N 1 2 270.293 -2.519 20 0 CAADLO COC[C@H](O)C[NH+]1CC(NC(=O)CC2OCCCO2)C1 ZINC001391412551 888629172 /nfs/dbraw/zinc/62/91/72/888629172.db2.gz ZVXQIKSOFZEGAG-LLVKDONJSA-N 1 2 288.344 -1.053 20 0 CAADLO Cn1ccc(CCC(=O)NCC2C[NH+](CC(N)=O)C2)n1 ZINC001391472891 888630534 /nfs/dbraw/zinc/63/05/34/888630534.db2.gz BICIAMXISMTROM-UHFFFAOYSA-N 1 2 279.344 -1.114 20 0 CAADLO CNS(=O)(=O)CC(=O)NC1C[NH+](CCC[C@@H](C)O)C1 ZINC001391458475 888630578 /nfs/dbraw/zinc/63/05/78/888630578.db2.gz GSFUPJIFSUOXQE-SECBINFHSA-N 1 2 293.389 -1.503 20 0 CAADLO CCCNC(=O)C[NH+]1CC(CNC(=O)[C@H]2CCC(=O)N2)C1 ZINC001391478754 888630710 /nfs/dbraw/zinc/63/07/10/888630710.db2.gz UMZUJFOQGHSTCA-LLVKDONJSA-N 1 2 296.371 -1.161 20 0 CAADLO C[C@H](C(=O)NC(N)=O)N1CC(NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001391449431 888630935 /nfs/dbraw/zinc/63/09/35/888630935.db2.gz DMZITUIEPDXLHS-SSDOTTSWSA-N 1 2 294.315 -1.664 20 0 CAADLO CC[C@@H](NC(C)=O)C(=O)NC1C[NH+](C[C@H](O)COC)C1 ZINC001391444754 888630978 /nfs/dbraw/zinc/63/09/78/888630978.db2.gz UKINFNLDTRWQMF-NWDGAFQWSA-N 1 2 287.360 -1.291 20 0 CAADLO C[C@@H](O)C[NH+]1CC(NC(=O)CCC(=O)N2CCOCC2)C1 ZINC001391450639 888631212 /nfs/dbraw/zinc/63/12/12/888631212.db2.gz KCKPSWLHJKTMRC-LLVKDONJSA-N 1 2 299.371 -1.193 20 0 CAADLO Cn1cnc(C(=O)NCC2C[NH+](CC(=O)NC(N)=O)C2)c1 ZINC001391470006 888631281 /nfs/dbraw/zinc/63/12/81/888631281.db2.gz CJAULWCDDLPTIJ-UHFFFAOYSA-N 1 2 294.315 -1.723 20 0 CAADLO CNS(=O)(=O)CC(=O)NC1C[NH+](CCC[C@H](C)O)C1 ZINC001391458477 888631336 /nfs/dbraw/zinc/63/13/36/888631336.db2.gz GSFUPJIFSUOXQE-VIFPVBQESA-N 1 2 293.389 -1.503 20 0 CAADLO CCNC(=O)C[NH+]1CC(CNC(=O)[C@H]2C[C@@H]2C(=O)OC)C1 ZINC001391479449 888631525 /nfs/dbraw/zinc/63/15/25/888631525.db2.gz QWMWBPGERBPRBE-QWRGUYRKSA-N 1 2 297.355 -1.020 20 0 CAADLO NC(=O)NC(=O)C[NH+]1CC(CNC(=O)[C@@H]2CC2(F)F)C1 ZINC001391476878 888632275 /nfs/dbraw/zinc/63/22/75/888632275.db2.gz UHCGKODZUKGZBP-ZETCQYMHSA-N 1 2 290.270 -1.116 20 0 CAADLO CCNC(=O)C[NH+]1CC(CNC(=O)[C@@H]2C[C@@H]2C(=O)OC)C1 ZINC001391479446 888632382 /nfs/dbraw/zinc/63/23/82/888632382.db2.gz QWMWBPGERBPRBE-MNOVXSKESA-N 1 2 297.355 -1.020 20 0 CAADLO C[C@H](C(N)=O)[NH+]1CC(CNC(=O)CNC(=O)C2CC2)C1 ZINC001391468516 888632505 /nfs/dbraw/zinc/63/25/05/888632505.db2.gz QYOGWIUAUNUCLW-MRVPVSSYSA-N 1 2 282.344 -1.566 20 0 CAADLO O=C(Cn1ncnn1)NCC1C[NH+]([C@@H]2CCNC2=O)C1 ZINC001391483715 888632559 /nfs/dbraw/zinc/63/25/59/888632559.db2.gz WAKSVNNOGFOZGS-SECBINFHSA-N 1 2 279.304 -2.390 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(NC(=O)CCc2cnn(C)n2)C1 ZINC001391446366 888632880 /nfs/dbraw/zinc/63/28/80/888632880.db2.gz HDTVCXTUKVWABH-LBPRGKRZSA-N 1 2 297.359 -1.445 20 0 CAADLO CC(=O)N[C@H](C)C(=O)NCC1C[NH+]([C@@H](C)C(N)=O)C1 ZINC001391466744 888632921 /nfs/dbraw/zinc/63/29/21/888632921.db2.gz IMZNKTHCIYUVMD-SFYZADRCSA-N 1 2 270.333 -1.567 20 0 CAADLO C[C@H](O)C[NH+]1CC(NC(=O)CCC(=O)N2CCOCC2)C1 ZINC001391450643 888633014 /nfs/dbraw/zinc/63/30/14/888633014.db2.gz KCKPSWLHJKTMRC-NSHDSACASA-N 1 2 299.371 -1.193 20 0 CAADLO COCC[NH+]1CC(NC(=O)[C@@H](C)NS(C)(=O)=O)C1 ZINC001391451214 888633029 /nfs/dbraw/zinc/63/30/29/888633029.db2.gz XEVVMVGHIDQXLR-MRVPVSSYSA-N 1 2 279.362 -1.629 20 0 CAADLO NC(=O)C[NH+]1CC(CNC(=O)CN2CCOCC2)C1 ZINC001391471871 888633084 /nfs/dbraw/zinc/63/30/84/888633084.db2.gz NIMPDYUSLNKANR-UHFFFAOYSA-N 1 2 270.333 -2.148 20 0 CAADLO Cc1c[nH]c(C(=O)NCC2C[NH+](CC(=O)NC(N)=O)C2)n1 ZINC001391511215 888634661 /nfs/dbraw/zinc/63/46/61/888634661.db2.gz RPIDYKCYQAKBOW-UHFFFAOYSA-N 1 2 294.315 -1.425 20 0 CAADLO Cn1nnc(CN2CC(CNC(=O)Cn3cc[nH+]c3)C2)n1 ZINC001391512849 888635317 /nfs/dbraw/zinc/63/53/17/888635317.db2.gz BSSYGRVFZMVYAE-UHFFFAOYSA-N 1 2 290.331 -1.345 20 0 CAADLO CNC(=O)NCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC(=O)N(C)C ZINC001391532412 888635479 /nfs/dbraw/zinc/63/54/79/888635479.db2.gz ZNGPULJADMKEMF-UWVGGRQHSA-N 1 2 297.359 -1.711 20 0 CAADLO CNC(=O)NCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC(=O)N(C)C ZINC001391532412 888635485 /nfs/dbraw/zinc/63/54/85/888635485.db2.gz ZNGPULJADMKEMF-UWVGGRQHSA-N 1 2 297.359 -1.711 20 0 CAADLO CNC(=O)C[NH+]1CC(CNC(=O)CN2CCOCC2=O)C1 ZINC001391488459 888635498 /nfs/dbraw/zinc/63/54/98/888635498.db2.gz HDDLGUFZZAGPEX-UHFFFAOYSA-N 1 2 298.343 -2.361 20 0 CAADLO CNC(=O)NCC(=O)NCC1C[NH+](CC(=O)NC(C)C)C1 ZINC001391494340 888635578 /nfs/dbraw/zinc/63/55/78/888635578.db2.gz VRERVERSQWBEST-UHFFFAOYSA-N 1 2 299.375 -1.512 20 0 CAADLO CCCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H]2COC(=O)N2)C1 ZINC001391546734 888635855 /nfs/dbraw/zinc/63/58/55/888635855.db2.gz WSGVDFLHJNWSIY-VHSXEESVSA-N 1 2 298.343 -1.189 20 0 CAADLO CCCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@H]2COC(=O)N2)C1 ZINC001391546734 888635862 /nfs/dbraw/zinc/63/58/62/888635862.db2.gz WSGVDFLHJNWSIY-VHSXEESVSA-N 1 2 298.343 -1.189 20 0 CAADLO C[C@H](C(N)=O)[NH+]1CC(CNC(=O)[C@]2(C)CCC(=O)NC2)C1 ZINC001391500593 888635900 /nfs/dbraw/zinc/63/59/00/888635900.db2.gz IIMVXHKHGOYGIR-YMTOWFKASA-N 1 2 296.371 -1.176 20 0 CAADLO Cn1c[nH+]cc1CCC(=O)NCC1CN(CC(N)=O)C1 ZINC001391517885 888636074 /nfs/dbraw/zinc/63/60/74/888636074.db2.gz FPJULFCMFOAHTA-UHFFFAOYSA-N 1 2 279.344 -1.114 20 0 CAADLO CCCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2COC(=O)N2)C1 ZINC001391546731 888636315 /nfs/dbraw/zinc/63/63/15/888636315.db2.gz WSGVDFLHJNWSIY-UWVGGRQHSA-N 1 2 298.343 -1.189 20 0 CAADLO CCCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H]2COC(=O)N2)C1 ZINC001391546731 888636325 /nfs/dbraw/zinc/63/63/25/888636325.db2.gz WSGVDFLHJNWSIY-UWVGGRQHSA-N 1 2 298.343 -1.189 20 0 CAADLO CC(=O)N(C)CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC(=O)N(C)C ZINC001391527326 888636342 /nfs/dbraw/zinc/63/63/42/888636342.db2.gz PJSHJXBIQNMABR-RYUDHWBXSA-N 1 2 296.371 -1.162 20 0 CAADLO CC(=O)N(C)CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC(=O)N(C)C ZINC001391527326 888636347 /nfs/dbraw/zinc/63/63/47/888636347.db2.gz PJSHJXBIQNMABR-RYUDHWBXSA-N 1 2 296.371 -1.162 20 0 CAADLO CC(=O)NCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2[C@H](C)C(=O)N(C)C ZINC001391520131 888636661 /nfs/dbraw/zinc/63/66/61/888636661.db2.gz GWIOVFLJKZVTIV-USWWRNFRSA-N 1 2 296.371 -1.116 20 0 CAADLO CC(=O)NCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@H](C)C(=O)N(C)C ZINC001391520131 888636669 /nfs/dbraw/zinc/63/66/69/888636669.db2.gz GWIOVFLJKZVTIV-USWWRNFRSA-N 1 2 296.371 -1.116 20 0 CAADLO NC(=O)C[NH+]1CC(CNC(=O)CN2CCNC(=O)C2)C1 ZINC001391495012 888636742 /nfs/dbraw/zinc/63/67/42/888636742.db2.gz UWVZDPUEQSXDOW-UHFFFAOYSA-N 1 2 283.332 -3.049 20 0 CAADLO CNS(=O)(=O)CC(=O)N[C@@H]1CC[N@@H+]([C@@H](C)C(N)=O)C1 ZINC001391604045 888639014 /nfs/dbraw/zinc/63/90/14/888639014.db2.gz SJQCSQRPPPKCLY-JGVFFNPUSA-N 1 2 292.361 -2.400 20 0 CAADLO CNS(=O)(=O)CC(=O)N[C@@H]1CC[N@H+]([C@@H](C)C(N)=O)C1 ZINC001391604045 888639021 /nfs/dbraw/zinc/63/90/21/888639021.db2.gz SJQCSQRPPPKCLY-JGVFFNPUSA-N 1 2 292.361 -2.400 20 0 CAADLO CC[C@H](CNC(=O)CN(C)C(C)=O)[NH2+]Cc1nnn(C)n1 ZINC001391672161 888639418 /nfs/dbraw/zinc/63/94/18/888639418.db2.gz MFOVFUZDZNOIKQ-SNVBAGLBSA-N 1 2 297.363 -1.327 20 0 CAADLO CC[C@@H](CNC(=O)[C@@H](C)NC(C)=O)[NH2+]Cc1nnn(C)n1 ZINC001391660060 888640240 /nfs/dbraw/zinc/64/02/40/888640240.db2.gz QLLSZRFLCRFLFG-SCZZXKLOSA-N 1 2 297.363 -1.281 20 0 CAADLO CS(=O)(=O)CCCC(=O)N[C@@H]1CC[N@H+](CCO)C1 ZINC001391592637 888641100 /nfs/dbraw/zinc/64/11/00/888641100.db2.gz TYQZOWTYZGQJEP-SNVBAGLBSA-N 1 2 278.374 -1.006 20 0 CAADLO CS(=O)(=O)CCCC(=O)N[C@@H]1CC[N@@H+](CCO)C1 ZINC001391592637 888641107 /nfs/dbraw/zinc/64/11/07/888641107.db2.gz TYQZOWTYZGQJEP-SNVBAGLBSA-N 1 2 278.374 -1.006 20 0 CAADLO CC[C@@H](CNC(=O)[C@H]1CNC(=O)N1)[NH2+]Cc1nnn(C)n1 ZINC001391722648 888642998 /nfs/dbraw/zinc/64/29/98/888642998.db2.gz YUAHHGRILAAFSG-JGVFFNPUSA-N 1 2 296.335 -2.124 20 0 CAADLO CC[C@@H](CNC(=O)c1cn[nH]n1)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001391702002 888643354 /nfs/dbraw/zinc/64/33/54/888643354.db2.gz URVNOCPEQVIVKG-ZETCQYMHSA-N 1 2 294.319 -1.475 20 0 CAADLO CC[C@@H](CNC(=O)c1cnn[nH]1)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001391702002 888643360 /nfs/dbraw/zinc/64/33/60/888643360.db2.gz URVNOCPEQVIVKG-ZETCQYMHSA-N 1 2 294.319 -1.475 20 0 CAADLO CCC(=O)N[C@@H](C)C(=O)NC[C@@H]1C[N@H+](CCO)CCO1 ZINC001391974145 888652161 /nfs/dbraw/zinc/65/21/61/888652161.db2.gz RDSJYSFKHJUMIC-WDEREUQCSA-N 1 2 287.360 -1.290 20 0 CAADLO CCC(=O)N[C@@H](C)C(=O)NC[C@@H]1C[N@@H+](CCO)CCO1 ZINC001391974145 888652169 /nfs/dbraw/zinc/65/21/69/888652169.db2.gz RDSJYSFKHJUMIC-WDEREUQCSA-N 1 2 287.360 -1.290 20 0 CAADLO COC[C@H](O)C[N@@H+]1CCO[C@H](CNC(=O)c2ccn[nH]2)C1 ZINC001391976068 888653196 /nfs/dbraw/zinc/65/31/96/888653196.db2.gz IBFYYVMDYICUIJ-GHMZBOCLSA-N 1 2 298.343 -1.152 20 0 CAADLO COC[C@H](O)C[N@H+]1CCO[C@H](CNC(=O)c2ccn[nH]2)C1 ZINC001391976068 888653199 /nfs/dbraw/zinc/65/31/99/888653199.db2.gz IBFYYVMDYICUIJ-GHMZBOCLSA-N 1 2 298.343 -1.152 20 0 CAADLO CCC(=O)N[C@@H](C)C(=O)NC[C@H]1C[N@H+](CCO)CCO1 ZINC001391974144 888653579 /nfs/dbraw/zinc/65/35/79/888653579.db2.gz RDSJYSFKHJUMIC-QWRGUYRKSA-N 1 2 287.360 -1.290 20 0 CAADLO CCC(=O)N[C@@H](C)C(=O)NC[C@H]1C[N@@H+](CCO)CCO1 ZINC001391974144 888653586 /nfs/dbraw/zinc/65/35/86/888653586.db2.gz RDSJYSFKHJUMIC-QWRGUYRKSA-N 1 2 287.360 -1.290 20 0 CAADLO CCOCC(=O)NC[C@@H](O)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001392007146 888655531 /nfs/dbraw/zinc/65/55/31/888655531.db2.gz SVHCPYBRHDKTGO-VIFPVBQESA-N 1 2 284.316 -1.418 20 0 CAADLO Cc1nnc(CC(=O)NC[C@H]2C[N@H+](C[C@@H](C)O)CCO2)[nH]1 ZINC001391983942 888655385 /nfs/dbraw/zinc/65/53/85/888655385.db2.gz WZCMFDGWWMOXLS-KOLCDFICSA-N 1 2 297.359 -1.147 20 0 CAADLO Cc1nnc(CC(=O)NC[C@H]2C[N@@H+](C[C@@H](C)O)CCO2)[nH]1 ZINC001391983942 888655399 /nfs/dbraw/zinc/65/53/99/888655399.db2.gz WZCMFDGWWMOXLS-KOLCDFICSA-N 1 2 297.359 -1.147 20 0 CAADLO O=C(Cn1ccccc1=O)NC[C@H]1C[N@H+](CCO)CCO1 ZINC001391994821 888655462 /nfs/dbraw/zinc/65/54/62/888655462.db2.gz XEMPPNRWTMIGKK-LBPRGKRZSA-N 1 2 295.339 -1.342 20 0 CAADLO O=C(Cn1ccccc1=O)NC[C@H]1C[N@@H+](CCO)CCO1 ZINC001391994821 888655469 /nfs/dbraw/zinc/65/54/69/888655469.db2.gz XEMPPNRWTMIGKK-LBPRGKRZSA-N 1 2 295.339 -1.342 20 0 CAADLO Cc1nnc(CC(=O)NC[C@@H]2C[N@H+](C[C@@H](C)O)CCO2)[nH]1 ZINC001391983945 888655877 /nfs/dbraw/zinc/65/58/77/888655877.db2.gz WZCMFDGWWMOXLS-MWLCHTKSSA-N 1 2 297.359 -1.147 20 0 CAADLO Cc1nnc(CC(=O)NC[C@@H]2C[N@@H+](C[C@@H](C)O)CCO2)[nH]1 ZINC001391983945 888655885 /nfs/dbraw/zinc/65/58/85/888655885.db2.gz WZCMFDGWWMOXLS-MWLCHTKSSA-N 1 2 297.359 -1.147 20 0 CAADLO CCOCC(=O)NC[C@@H]1C[N@H+](C[C@@H](O)COC)CCO1 ZINC001391982455 888656781 /nfs/dbraw/zinc/65/67/81/888656781.db2.gz SUHDMNXLXMHAJW-VXGBXAGGSA-N 1 2 290.360 -1.153 20 0 CAADLO CCOCC(=O)NC[C@@H]1C[N@@H+](C[C@@H](O)COC)CCO1 ZINC001391982455 888656793 /nfs/dbraw/zinc/65/67/93/888656793.db2.gz SUHDMNXLXMHAJW-VXGBXAGGSA-N 1 2 290.360 -1.153 20 0 CAADLO COCC(=O)NC[C@@H](O)CNC(=O)CCn1cc[nH+]c1 ZINC001391981184 888656914 /nfs/dbraw/zinc/65/69/14/888656914.db2.gz XMOCDODZXFWTQX-JTQLQIEISA-N 1 2 284.316 -1.487 20 0 CAADLO COCC(=O)NC[C@H](O)CNC(=O)CCn1cc[nH+]c1 ZINC001391981187 888657042 /nfs/dbraw/zinc/65/70/42/888657042.db2.gz XMOCDODZXFWTQX-SNVBAGLBSA-N 1 2 284.316 -1.487 20 0 CAADLO CC[C@H](OC)C(=O)NC[C@@H](O)CNC(=O)Cn1cc[nH+]c1 ZINC001392039432 888658682 /nfs/dbraw/zinc/65/86/82/888658682.db2.gz NEXHHPWYIBBYDU-QWRGUYRKSA-N 1 2 298.343 -1.099 20 0 CAADLO CC[C@@H](OC)C(=O)NC[C@@H](O)CNC(=O)Cn1cc[nH+]c1 ZINC001392039437 888659071 /nfs/dbraw/zinc/65/90/71/888659071.db2.gz NEXHHPWYIBBYDU-WDEREUQCSA-N 1 2 298.343 -1.099 20 0 CAADLO CC[C@H](OC)C(=O)NC[C@H](O)CNC(=O)Cn1cc[nH+]c1 ZINC001392039427 888660184 /nfs/dbraw/zinc/66/01/84/888660184.db2.gz NEXHHPWYIBBYDU-MNOVXSKESA-N 1 2 298.343 -1.099 20 0 CAADLO COC(=O)NCC(=O)N1CCC2(C[NH+](CC(N)=O)C2)CC1 ZINC001392043130 888661380 /nfs/dbraw/zinc/66/13/80/888661380.db2.gz QZVIYDHLBOKUAK-UHFFFAOYSA-N 1 2 298.343 -1.248 20 0 CAADLO CNC(=O)C[N@H+](C)CCN(C)C(=O)c1ccc(=O)[nH]n1 ZINC001392256646 888669827 /nfs/dbraw/zinc/66/98/27/888669827.db2.gz YYLWMRZHXXZAIY-UHFFFAOYSA-N 1 2 281.316 -1.068 20 0 CAADLO CNC(=O)C[N@@H+](C)CCN(C)C(=O)c1ccc(=O)[nH]n1 ZINC001392256646 888669829 /nfs/dbraw/zinc/66/98/29/888669829.db2.gz YYLWMRZHXXZAIY-UHFFFAOYSA-N 1 2 281.316 -1.068 20 0 CAADLO C[C@H](CNC(=O)Cc1c[nH]c[nH+]1)NC(=O)[C@@H]1COCCO1 ZINC001392226425 888670164 /nfs/dbraw/zinc/67/01/64/888670164.db2.gz SWGCKYMYOKHHNO-KOLCDFICSA-N 1 2 296.327 -1.012 20 0 CAADLO CCC(=O)NC[C@H](O)C[NH2+]Cc1cc(=O)n2[nH]ccc2n1 ZINC001392340023 888673606 /nfs/dbraw/zinc/67/36/06/888673606.db2.gz HXJQWJZUURGFTC-SNVBAGLBSA-N 1 2 293.327 -1.001 20 0 CAADLO CNC(=O)C[N@H+](C)CCN(C)C(=O)CN(C)C(=O)C1CC1 ZINC001392278262 888673680 /nfs/dbraw/zinc/67/36/80/888673680.db2.gz HMFOVEZEVNDQIG-UHFFFAOYSA-N 1 2 298.387 -1.009 20 0 CAADLO CNC(=O)C[N@@H+](C)CCN(C)C(=O)CN(C)C(=O)C1CC1 ZINC001392278262 888673686 /nfs/dbraw/zinc/67/36/86/888673686.db2.gz HMFOVEZEVNDQIG-UHFFFAOYSA-N 1 2 298.387 -1.009 20 0 CAADLO CC(=O)NCC(=O)NC[C@@H](O)C[NH2+]Cc1cnsn1 ZINC001392348876 888678030 /nfs/dbraw/zinc/67/80/30/888678030.db2.gz ZXTZXUOSVDUMFU-VIFPVBQESA-N 1 2 287.345 -1.759 20 0 CAADLO Cc1noc(C[NH2+]C[C@@H](O)CNC(=O)C2=COCCO2)n1 ZINC001392353369 888679830 /nfs/dbraw/zinc/67/98/30/888679830.db2.gz RMYBLFHOQDRINZ-SECBINFHSA-N 1 2 298.299 -1.167 20 0 CAADLO Cc1nnc(C[NH2+]C[C@@H](O)CNC(=O)c2cnnn2C)o1 ZINC001392369507 888687862 /nfs/dbraw/zinc/68/78/62/888687862.db2.gz RURODSKRHXWUML-MRVPVSSYSA-N 1 2 295.303 -1.613 20 0 CAADLO Cc1noc(C[NH2+]C[C@@H](O)CNC(=O)c2ncc[nH]2)n1 ZINC001392369491 888688013 /nfs/dbraw/zinc/68/80/13/888688013.db2.gz LXDRQHFQVZCUMF-MRVPVSSYSA-N 1 2 280.288 -1.018 20 0 CAADLO Cc1noc(C[NH2+]C[C@@H](O)CNC(=O)c2cncn2C)n1 ZINC001392392188 888693313 /nfs/dbraw/zinc/69/33/13/888693313.db2.gz UMBZEXHWMVOGIT-SECBINFHSA-N 1 2 294.315 -1.008 20 0 CAADLO Cc1cnc(C[NH2+]C[C@H](O)CNC(=O)c2nc[nH]n2)cn1 ZINC001392408448 888696930 /nfs/dbraw/zinc/69/69/30/888696930.db2.gz ISKJUYUEMXTJME-JTQLQIEISA-N 1 2 291.315 -1.216 20 0 CAADLO O=C(Cc1nc[nH]n1)NC[C@H](O)C[NH2+]Cc1cnsn1 ZINC001392427449 888708182 /nfs/dbraw/zinc/70/81/82/888708182.db2.gz PTGMLKCHDHIMBA-MRVPVSSYSA-N 1 2 297.344 -1.534 20 0 CAADLO O=C(Cc1nc[nH]n1)NC[C@H](O)C[NH2+]Cc1nncs1 ZINC001392432949 888708264 /nfs/dbraw/zinc/70/82/64/888708264.db2.gz ZULHWNIAMQGNAX-SSDOTTSWSA-N 1 2 297.344 -1.534 20 0 CAADLO Cc1ncoc1C[NH2+]C[C@H](O)CNC(=O)Cc1nnc[nH]1 ZINC001392421599 888708365 /nfs/dbraw/zinc/70/83/65/888708365.db2.gz JPBUNOOQEAAMEB-VIFPVBQESA-N 1 2 294.315 -1.089 20 0 CAADLO C[C@H](CNC(=O)[C@H](C)NC(N)=O)NC(=O)Cn1cc[nH+]c1 ZINC001392451360 888710492 /nfs/dbraw/zinc/71/04/92/888710492.db2.gz CPKAOEKSMGUVRH-BDAKNGLRSA-N 1 2 296.331 -1.439 20 0 CAADLO C[C@H](CNC(=O)c1cn(C)nn1)NC(=O)Cn1cc[nH+]c1 ZINC001392453065 888711283 /nfs/dbraw/zinc/71/12/83/888711283.db2.gz YSLZRQOQWLQSDP-SECBINFHSA-N 1 2 291.315 -1.054 20 0 CAADLO Cc1noc(C[NH2+]C[C@H](C)NC(=O)Cn2cnnn2)n1 ZINC001392542369 888720017 /nfs/dbraw/zinc/72/00/17/888720017.db2.gz MOCNEZYZIGJICJ-ZETCQYMHSA-N 1 2 280.292 -1.341 20 0 CAADLO C[C@@H]([NH2+]C[C@H](C)NC(=O)c1nnc[nH]1)c1nnnn1C ZINC001392603476 888724943 /nfs/dbraw/zinc/72/49/43/888724943.db2.gz VBULGZYFBBEHDV-NKWVEPMBSA-N 1 2 279.308 -1.203 20 0 CAADLO COC(=O)NCC(=O)NC[C@@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001392633261 888729689 /nfs/dbraw/zinc/72/96/89/888729689.db2.gz ZLDNWYPUUPVTRS-MRVPVSSYSA-N 1 2 297.315 -1.071 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+](C)C[C@H](C)NC(=O)Cc1nnc[nH]1 ZINC001392727736 888737226 /nfs/dbraw/zinc/73/72/26/888737226.db2.gz UFZCTCPHBSLNCH-DTWKUNHWSA-N 1 2 282.348 -1.082 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+](C)C[C@H](C)NC(=O)Cc1nnc[nH]1 ZINC001392727736 888737236 /nfs/dbraw/zinc/73/72/36/888737236.db2.gz UFZCTCPHBSLNCH-DTWKUNHWSA-N 1 2 282.348 -1.082 20 0 CAADLO O=C(Cn1cnnn1)NC[C@H]1CC[N@@H+]1[C@@H]1CCCNC1=O ZINC001392815496 888738877 /nfs/dbraw/zinc/73/88/77/888738877.db2.gz SITAIQSJZMDSJA-NXEZZACHSA-N 1 2 293.331 -1.858 20 0 CAADLO O=C(Cn1cnnn1)NC[C@H]1CC[N@H+]1[C@@H]1CCCNC1=O ZINC001392815496 888738885 /nfs/dbraw/zinc/73/88/85/888738885.db2.gz SITAIQSJZMDSJA-NXEZZACHSA-N 1 2 293.331 -1.858 20 0 CAADLO CN1CC[C@@H]([N@@H+]2CC[C@H]2CNC(=O)Cn2cnnn2)C1=O ZINC001392809278 888739727 /nfs/dbraw/zinc/73/97/27/888739727.db2.gz FEDGFANQUARBKZ-VHSXEESVSA-N 1 2 293.331 -1.906 20 0 CAADLO CN1CC[C@@H]([N@H+]2CC[C@H]2CNC(=O)Cn2cnnn2)C1=O ZINC001392809278 888739739 /nfs/dbraw/zinc/73/97/39/888739739.db2.gz FEDGFANQUARBKZ-VHSXEESVSA-N 1 2 293.331 -1.906 20 0 CAADLO O=C(Cn1cnnn1)NC[C@@H]1CC[N@@H+]1[C@@H]1CCNC1=O ZINC001392817293 888739874 /nfs/dbraw/zinc/73/98/74/888739874.db2.gz WIUPGKCNXNNVAO-DTWKUNHWSA-N 1 2 279.304 -2.248 20 0 CAADLO O=C(Cn1cnnn1)NC[C@@H]1CC[N@H+]1[C@@H]1CCNC1=O ZINC001392817293 888739882 /nfs/dbraw/zinc/73/98/82/888739882.db2.gz WIUPGKCNXNNVAO-DTWKUNHWSA-N 1 2 279.304 -2.248 20 0 CAADLO CC(=O)NCC(=O)NC[C@H]1CC[N@H+]1[C@H](C)C(=O)N(C)C ZINC001392818281 888740032 /nfs/dbraw/zinc/74/00/32/888740032.db2.gz WBUUSLPDDZAFSQ-MWLCHTKSSA-N 1 2 284.360 -1.210 20 0 CAADLO CC(=O)NCC(=O)NC[C@H]1CC[N@@H+]1[C@H](C)C(=O)N(C)C ZINC001392818281 888740039 /nfs/dbraw/zinc/74/00/39/888740039.db2.gz WBUUSLPDDZAFSQ-MWLCHTKSSA-N 1 2 284.360 -1.210 20 0 CAADLO O=C(Cn1cnnn1)NC[C@@H]1CC[N@@H+]1[C@@H]1CCCNC1=O ZINC001392815502 888740084 /nfs/dbraw/zinc/74/00/84/888740084.db2.gz SITAIQSJZMDSJA-VHSXEESVSA-N 1 2 293.331 -1.858 20 0 CAADLO O=C(Cn1cnnn1)NC[C@@H]1CC[N@H+]1[C@@H]1CCCNC1=O ZINC001392815502 888740090 /nfs/dbraw/zinc/74/00/90/888740090.db2.gz SITAIQSJZMDSJA-VHSXEESVSA-N 1 2 293.331 -1.858 20 0 CAADLO CCC(=O)NCC(=O)NC[C@@H]1CC[N@@H+]1[C@@H]1CCNC1=O ZINC001392820983 888740825 /nfs/dbraw/zinc/74/08/25/888740825.db2.gz GTYLLFXGMOXZGD-VHSXEESVSA-N 1 2 282.344 -1.408 20 0 CAADLO CCC(=O)NCC(=O)NC[C@@H]1CC[N@H+]1[C@@H]1CCNC1=O ZINC001392820983 888740838 /nfs/dbraw/zinc/74/08/38/888740838.db2.gz GTYLLFXGMOXZGD-VHSXEESVSA-N 1 2 282.344 -1.408 20 0 CAADLO CN1CC[C@@H]([N@@H+]2CC[C@@H]2CNC(=O)Cn2cnnn2)C1=O ZINC001392809235 888741035 /nfs/dbraw/zinc/74/10/35/888741035.db2.gz FEDGFANQUARBKZ-NXEZZACHSA-N 1 2 293.331 -1.906 20 0 CAADLO CN1CC[C@@H]([N@H+]2CC[C@@H]2CNC(=O)Cn2cnnn2)C1=O ZINC001392809235 888741060 /nfs/dbraw/zinc/74/10/60/888741060.db2.gz FEDGFANQUARBKZ-NXEZZACHSA-N 1 2 293.331 -1.906 20 0 CAADLO Cn1c(=O)ccn(CC(=O)NC[C@H]2CC[N@@H+]2CCF)c1=O ZINC001392828249 888741548 /nfs/dbraw/zinc/74/15/48/888741548.db2.gz DGNTWHOYQHQIKS-SNVBAGLBSA-N 1 2 298.318 -1.293 20 0 CAADLO Cn1c(=O)ccn(CC(=O)NC[C@H]2CC[N@H+]2CCF)c1=O ZINC001392828249 888741556 /nfs/dbraw/zinc/74/15/56/888741556.db2.gz DGNTWHOYQHQIKS-SNVBAGLBSA-N 1 2 298.318 -1.293 20 0 CAADLO O=C(Cn1cnnn1)NC[C@@H]1CC[N@@H+]1[C@H]1CCNC1=O ZINC001392817369 888741640 /nfs/dbraw/zinc/74/16/40/888741640.db2.gz WIUPGKCNXNNVAO-IUCAKERBSA-N 1 2 279.304 -2.248 20 0 CAADLO O=C(Cn1cnnn1)NC[C@@H]1CC[N@H+]1[C@H]1CCNC1=O ZINC001392817369 888741646 /nfs/dbraw/zinc/74/16/46/888741646.db2.gz WIUPGKCNXNNVAO-IUCAKERBSA-N 1 2 279.304 -2.248 20 0 CAADLO CC(=O)NCC(=O)NCC1([NH2+][C@H](C)c2nnnn2C)CC1 ZINC001392879676 888742609 /nfs/dbraw/zinc/74/26/09/888742609.db2.gz TXSFNUQFCDZLOY-MRVPVSSYSA-N 1 2 295.347 -1.354 20 0 CAADLO O=C(Cn1cncn1)NC[C@H]1CC[N@@H+]1CC(=O)N1CCC1 ZINC001392866994 888742650 /nfs/dbraw/zinc/74/26/50/888742650.db2.gz KMJPMUSNIDIYSH-LLVKDONJSA-N 1 2 292.343 -1.299 20 0 CAADLO O=C(Cn1cncn1)NC[C@H]1CC[N@H+]1CC(=O)N1CCC1 ZINC001392866994 888742660 /nfs/dbraw/zinc/74/26/60/888742660.db2.gz KMJPMUSNIDIYSH-LLVKDONJSA-N 1 2 292.343 -1.299 20 0 CAADLO O=C(CN1CCNC(=O)C1)NC[C@H]1CC[N@H+]1CCF ZINC001392851730 888742759 /nfs/dbraw/zinc/74/27/59/888742759.db2.gz GEDDINFRERGEAJ-SNVBAGLBSA-N 1 2 272.324 -1.422 20 0 CAADLO O=C(CN1CCNC(=O)C1)NC[C@H]1CC[N@@H+]1CCF ZINC001392851730 888742768 /nfs/dbraw/zinc/74/27/68/888742768.db2.gz GEDDINFRERGEAJ-SNVBAGLBSA-N 1 2 272.324 -1.422 20 0 CAADLO Cn1nnnc1C[NH2+]C1(CNC(=O)[C@@H]2COCCO2)CC1 ZINC001392886254 888743409 /nfs/dbraw/zinc/74/34/09/888743409.db2.gz HICZZLYUSNXZSX-VIFPVBQESA-N 1 2 296.331 -1.636 20 0 CAADLO CC(=O)NCC(=O)NCC(=O)NC[C@H]1CC[N@@H+]1CCF ZINC001392835684 888744112 /nfs/dbraw/zinc/74/41/12/888744112.db2.gz IFZFFMKCAVVSQN-SNVBAGLBSA-N 1 2 288.323 -1.601 20 0 CAADLO CC(=O)NCC(=O)NCC(=O)NC[C@H]1CC[N@H+]1CCF ZINC001392835684 888744124 /nfs/dbraw/zinc/74/41/24/888744124.db2.gz IFZFFMKCAVVSQN-SNVBAGLBSA-N 1 2 288.323 -1.601 20 0 CAADLO Cn1nccc1C(=O)NCC1([NH2+]Cc2nnnn2C)CC1 ZINC001392897709 888745209 /nfs/dbraw/zinc/74/52/09/888745209.db2.gz QRMZRDZECNUASI-UHFFFAOYSA-N 1 2 290.331 -1.004 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+]1CC[C@@H]1CNC(=O)CCn1ccnn1 ZINC001392835888 888745838 /nfs/dbraw/zinc/74/58/38/888745838.db2.gz YQDXJAFIGZGPQB-WDEREUQCSA-N 1 2 294.359 -1.007 20 0 CAADLO CNC(=O)[C@H](C)[N@H+]1CC[C@@H]1CNC(=O)CCn1ccnn1 ZINC001392835888 888745848 /nfs/dbraw/zinc/74/58/48/888745848.db2.gz YQDXJAFIGZGPQB-WDEREUQCSA-N 1 2 294.359 -1.007 20 0 CAADLO Cn1ncc(C(=O)NCC2([NH2+]Cc3ncnn3C)CC2)n1 ZINC001392942694 888746861 /nfs/dbraw/zinc/74/68/61/888746861.db2.gz QDIDZHJCJFOYOY-UHFFFAOYSA-N 1 2 290.331 -1.004 20 0 CAADLO Cn1[nH]c(C[NH2+]C2(CNC(=O)c3cn[nH]n3)CC2)nc1=O ZINC001392913998 888747028 /nfs/dbraw/zinc/74/70/28/888747028.db2.gz WNUJPUJABZOSLL-UHFFFAOYSA-N 1 2 292.303 -1.721 20 0 CAADLO Cn1nnnc1C[NH2+]C1(CNC(=O)c2cn[nH]n2)CC1 ZINC001392912404 888747104 /nfs/dbraw/zinc/74/71/04/888747104.db2.gz NZKNRYXZEWMRGV-UHFFFAOYSA-N 1 2 277.292 -1.620 20 0 CAADLO Cn1cnc(C(=O)NCC2([NH2+]Cc3ncnn3C)CC2)n1 ZINC001392901121 888747477 /nfs/dbraw/zinc/74/74/77/888747477.db2.gz YDPJSLYKQAMSRM-UHFFFAOYSA-N 1 2 290.331 -1.004 20 0 CAADLO Cn1ncc(C[NH2+]C2(CNC(=O)c3cnnn3C)CC2)n1 ZINC001392900287 888748488 /nfs/dbraw/zinc/74/84/88/888748488.db2.gz RFFXJFYGIANZQA-UHFFFAOYSA-N 1 2 290.331 -1.004 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(N(C)C(=O)[C@H]2CCC(=O)N2C)C1 ZINC001393008243 888751247 /nfs/dbraw/zinc/75/12/47/888751247.db2.gz DRJMTAGEWVZICM-NWDGAFQWSA-N 1 2 299.371 -1.243 20 0 CAADLO C[C@@H](CNC(=O)c1nnn(C)n1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001393026120 888752430 /nfs/dbraw/zinc/75/24/30/888752430.db2.gz MAHAVBSEONTAJO-ZETCQYMHSA-N 1 2 292.303 -1.590 20 0 CAADLO CN(C(=O)Cc1c[nH+]c[nH]1)C1CN(CC(=O)NC(N)=O)C1 ZINC001393017539 888752673 /nfs/dbraw/zinc/75/26/73/888752673.db2.gz FJXKOYMEICCGQF-UHFFFAOYSA-N 1 2 294.315 -1.710 20 0 CAADLO CN(C(=O)CCc1c[nH+]cn1C)C1CN(CC(N)=O)C1 ZINC001393015863 888752716 /nfs/dbraw/zinc/75/27/16/888752716.db2.gz AZKIPRNXFCXVSX-UHFFFAOYSA-N 1 2 279.344 -1.019 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(N(C)C(=O)c2cnnn2C)C1 ZINC001392995957 888752755 /nfs/dbraw/zinc/75/27/55/888752755.db2.gz FMNDDGCHDCQCTG-JTQLQIEISA-N 1 2 283.332 -1.421 20 0 CAADLO C[C@H](C(=O)N[C@]1(C)CC[N@H+](CC(N)=O)C1)n1cncn1 ZINC001393098762 888756253 /nfs/dbraw/zinc/75/62/53/888756253.db2.gz SYIHSIRDGABYCA-BXKDBHETSA-N 1 2 280.332 -1.095 20 0 CAADLO C[C@H](C(=O)N[C@]1(C)CC[N@@H+](CC(N)=O)C1)n1cncn1 ZINC001393098762 888756263 /nfs/dbraw/zinc/75/62/63/888756263.db2.gz SYIHSIRDGABYCA-BXKDBHETSA-N 1 2 280.332 -1.095 20 0 CAADLO C[C@@]1(NC(=O)[C@H]2CCCO2)CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001393100835 888758192 /nfs/dbraw/zinc/75/81/92/888758192.db2.gz WMHOQKBABPTNLZ-NOZJJQNGSA-N 1 2 298.343 -1.059 20 0 CAADLO C[C@@]1(NC(=O)[C@H]2CCCO2)CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001393100835 888758195 /nfs/dbraw/zinc/75/81/95/888758195.db2.gz WMHOQKBABPTNLZ-NOZJJQNGSA-N 1 2 298.343 -1.059 20 0 CAADLO COC[C@H](OC)C(=O)N[C@@]1(C)CC[N@H+](CC(N)=O)C1 ZINC001393121213 888759891 /nfs/dbraw/zinc/75/98/91/888759891.db2.gz YORPADLMPIWFST-CABZTGNLSA-N 1 2 273.333 -1.286 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)c2cnns2)C1 ZINC001393240805 888764764 /nfs/dbraw/zinc/76/47/64/888764764.db2.gz VQZNHTZBAIDVGE-JTQLQIEISA-N 1 2 285.329 -1.810 20 0 CAADLO NC(=O)C[N@H+]1CC[C@](O)(CNC(=O)c2cnns2)C1 ZINC001393240805 888764771 /nfs/dbraw/zinc/76/47/71/888764771.db2.gz VQZNHTZBAIDVGE-JTQLQIEISA-N 1 2 285.329 -1.810 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)Cc2nc[nH]n2)C1 ZINC001393280873 888769293 /nfs/dbraw/zinc/76/92/93/888769293.db2.gz GKPRSUORBLXPGG-NSHDSACASA-N 1 2 282.304 -2.615 20 0 CAADLO NC(=O)C[N@H+]1CC[C@](O)(CNC(=O)Cc2nc[nH]n2)C1 ZINC001393280873 888769300 /nfs/dbraw/zinc/76/93/00/888769300.db2.gz GKPRSUORBLXPGG-NSHDSACASA-N 1 2 282.304 -2.615 20 0 CAADLO C[C@@H](O)C[NH+]1CC(O)(CNC(=O)c2ccc(=O)[nH]n2)C1 ZINC001393291865 888772187 /nfs/dbraw/zinc/77/21/87/888772187.db2.gz YOQCDOIXXYTNKY-MRVPVSSYSA-N 1 2 282.300 -1.661 20 0 CAADLO COC[C@H](O)C[NH+]1CC(O)(CNC(=O)C(C)(C)F)C1 ZINC001393292518 888772713 /nfs/dbraw/zinc/77/27/13/888772713.db2.gz WBDRAOHATVKPSX-SECBINFHSA-N 1 2 278.324 -1.095 20 0 CAADLO C[C@@H](O)CCC[NH+]1CC(O)(CNC(=O)[C@H]2CCC(=O)N2)C1 ZINC001393300309 888774217 /nfs/dbraw/zinc/77/42/17/888774217.db2.gz FQSIHHJIUVKHST-GHMZBOCLSA-N 1 2 299.371 -1.411 20 0 CAADLO C[C@@H](O)CCC[NH+]1CC(O)(CNC(=O)c2ncn(C)n2)C1 ZINC001393307285 888774339 /nfs/dbraw/zinc/77/43/39/888774339.db2.gz XBYRAQHYXRZQGQ-SNVBAGLBSA-N 1 2 297.359 -1.247 20 0 CAADLO COC[C@@H](C)[NH+]1CC(O)(CNC(=O)c2cnnn2C)C1 ZINC001393309485 888774839 /nfs/dbraw/zinc/77/48/39/888774839.db2.gz SLNIQUIEUPNXDX-SECBINFHSA-N 1 2 283.332 -1.374 20 0 CAADLO C[C@@H](O)CCC[NH+]1CC(O)(CNC(=O)c2cn(C)nn2)C1 ZINC001393307957 888775334 /nfs/dbraw/zinc/77/53/34/888775334.db2.gz ZXRFKDQJVWDRTL-SNVBAGLBSA-N 1 2 297.359 -1.247 20 0 CAADLO CCC(=O)NCC(=O)NCC1(O)C[NH+]([C@H](C)COC)C1 ZINC001393300315 888775484 /nfs/dbraw/zinc/77/54/84/888775484.db2.gz FQSYSIFVWXXZKE-SNVBAGLBSA-N 1 2 287.360 -1.290 20 0 CAADLO COC[C@@H](C)[NH+]1CC(O)(CNC(=O)c2nnn(C)c2C)C1 ZINC001393302626 888775518 /nfs/dbraw/zinc/77/55/18/888775518.db2.gz IADUGWAUAFHGFT-SECBINFHSA-N 1 2 297.359 -1.065 20 0 CAADLO CC[NH+]1CC(O)(CNC(=O)[C@@H](C)NS(=O)(=O)CC)C1 ZINC001393312923 888775761 /nfs/dbraw/zinc/77/57/61/888775761.db2.gz BXTPSGPTRLPWPO-SECBINFHSA-N 1 2 293.389 -1.503 20 0 CAADLO CC[NH+]1CC(O)(CNC(=O)[C@H](C)NS(=O)(=O)CC)C1 ZINC001393312933 888775775 /nfs/dbraw/zinc/77/57/75/888775775.db2.gz BXTPSGPTRLPWPO-VIFPVBQESA-N 1 2 293.389 -1.503 20 0 CAADLO COC[C@H](O)C[NH+]1CC(O)(CNC(=O)c2ocnc2C)C1 ZINC001393309762 888775818 /nfs/dbraw/zinc/77/58/18/888775818.db2.gz PBXJOEYDQSBNMT-SNVBAGLBSA-N 1 2 299.327 -1.233 20 0 CAADLO COC[C@@H](C)[NH+]1CC(O)(CNC(=O)[C@H]2CC(=O)N(C)C2)C1 ZINC001393313098 888775850 /nfs/dbraw/zinc/77/58/50/888775850.db2.gz BBOXAYTUULPHFU-MNOVXSKESA-N 1 2 299.371 -1.338 20 0 CAADLO CO[C@H](C)C[NH+]1CC(O)(CNC(=O)CCc2nnc[nH]2)C1 ZINC001393305852 888776030 /nfs/dbraw/zinc/77/60/30/888776030.db2.gz BTVUUINRCTYTSV-SNVBAGLBSA-N 1 2 297.359 -1.065 20 0 CAADLO Cc1nn(C)cc1C(=O)NCC1(O)C[NH+](C[C@H](C)O)C1 ZINC001393299922 888776074 /nfs/dbraw/zinc/77/60/74/888776074.db2.gz CPFPDAZLXVGWDQ-VIFPVBQESA-N 1 2 282.344 -1.114 20 0 CAADLO COC[C@H](C)[NH+]1CC(O)(CNC(=O)[C@@H]2CC(=O)N(C)C2)C1 ZINC001393313101 888776246 /nfs/dbraw/zinc/77/62/46/888776246.db2.gz BBOXAYTUULPHFU-WDEREUQCSA-N 1 2 299.371 -1.338 20 0 CAADLO CN1CC[C@H](C(=O)NCC2(O)C[NH+](CCCO)C2)CC1=O ZINC001393328374 888777547 /nfs/dbraw/zinc/77/75/47/888777547.db2.gz JPYUIRDZLNNIQQ-NSHDSACASA-N 1 2 299.371 -1.600 20 0 CAADLO CC[NH+]1CC(O)(CNC(=O)[C@@H]2Cc3cncn3C(=O)N2)C1 ZINC001393325970 888777598 /nfs/dbraw/zinc/77/75/98/888777598.db2.gz PNNZXXNBXSIEFA-JTQLQIEISA-N 1 2 293.327 -1.452 20 0 CAADLO C[C@H](O)C[NH+]1CC(O)(CNC(=O)[C@@H](C)CC(N)=O)C1 ZINC001393325896 888777760 /nfs/dbraw/zinc/77/77/60/888777760.db2.gz JAFSMTVONPCTHS-IUCAKERBSA-N 1 2 273.333 -1.958 20 0 CAADLO COC[C@H](O)C[NH+]1CC(O)(CNC(=O)c2[nH]nnc2C)C1 ZINC001393326082 888777812 /nfs/dbraw/zinc/77/78/12/888777812.db2.gz JOPAAGYMTXJJGW-SECBINFHSA-N 1 2 299.331 -2.103 20 0 CAADLO C[C@@H](O)CCC[NH+]1CC(O)(CNC(=O)c2cn[nH]n2)C1 ZINC001393327793 888778581 /nfs/dbraw/zinc/77/85/81/888778581.db2.gz NXZYVDRHECODHH-SECBINFHSA-N 1 2 283.332 -1.258 20 0 CAADLO COC[C@H](O)C[NH+]1CC(O)(CNC(=O)[C@H]2C[C@@H]2C)C1 ZINC001393332069 888778877 /nfs/dbraw/zinc/77/88/77/888778877.db2.gz KDDZONVVXIVPPI-AXFHLTTASA-N 1 2 272.345 -1.187 20 0 CAADLO CO[C@@H](C)C[NH+]1CC(O)(CNC(=O)[C@H]2CC(=O)N(C)C2)C1 ZINC001393316067 888779192 /nfs/dbraw/zinc/77/91/92/888779192.db2.gz NRFMWVYHNYCPFA-QWRGUYRKSA-N 1 2 299.371 -1.338 20 0 CAADLO CC[NH+]1CC(O)(CNC(=O)CN2CCN(C)C(=O)C2)C1 ZINC001393324005 888779499 /nfs/dbraw/zinc/77/94/99/888779499.db2.gz AGSBJUCAINWTSH-UHFFFAOYSA-N 1 2 284.360 -2.057 20 0 CAADLO NC(=O)[C@@H]1CC[C@@H]1C(=O)NCC1(O)C[NH+](CCCO)C1 ZINC001393325595 888779973 /nfs/dbraw/zinc/77/99/73/888779973.db2.gz HIGCZZVSGLNKMQ-ZJUUUORDSA-N 1 2 285.344 -1.957 20 0 CAADLO CN1CC[C@@H](C(=O)NCC2(O)C[NH+](CCCO)C2)CC1=O ZINC001393328371 888780027 /nfs/dbraw/zinc/78/00/27/888780027.db2.gz JPYUIRDZLNNIQQ-LLVKDONJSA-N 1 2 299.371 -1.600 20 0 CAADLO COC[C@H](O)C[NH+]1CC(O)(CNC(=O)c2ccn(C)n2)C1 ZINC001393353494 888781244 /nfs/dbraw/zinc/78/12/44/888781244.db2.gz JGDXTYNTFCYHRE-SNVBAGLBSA-N 1 2 298.343 -1.796 20 0 CAADLO CC[NH+]1CC(O)(CNC(=O)CNC(=O)c2ccccn2)C1 ZINC001393356644 888782154 /nfs/dbraw/zinc/78/21/54/888782154.db2.gz GCLMGKBGGVLEKH-UHFFFAOYSA-N 1 2 292.339 -1.006 20 0 CAADLO C[C@@H](O)C[NH+]1CC(O)(CNC(=O)[C@]2(C)CCC(=O)N2)C1 ZINC001393344261 888783335 /nfs/dbraw/zinc/78/33/35/888783335.db2.gz OWGADYGGAUEFQX-SKDRFNHKSA-N 1 2 285.344 -1.801 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@@](CO)(NC(=O)Cn2cncn2)C1 ZINC001393459880 888784797 /nfs/dbraw/zinc/78/47/97/888784797.db2.gz MGKUHMAZTAALHN-GFCCVEGCSA-N 1 2 296.331 -2.294 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@@](CO)(NC(=O)Cn2cncn2)C1 ZINC001393459880 888784810 /nfs/dbraw/zinc/78/48/10/888784810.db2.gz MGKUHMAZTAALHN-GFCCVEGCSA-N 1 2 296.331 -2.294 20 0 CAADLO COCCC(=O)N[C@@]1(CO)CCC[N@H+](CC(N)=O)C1 ZINC001393427000 888785026 /nfs/dbraw/zinc/78/50/26/888785026.db2.gz WSBVWNNWKDFJIS-LBPRGKRZSA-N 1 2 273.333 -1.549 20 0 CAADLO COCCC(=O)N[C@@]1(CO)CCC[N@@H+](CC(N)=O)C1 ZINC001393427000 888785033 /nfs/dbraw/zinc/78/50/33/888785033.db2.gz WSBVWNNWKDFJIS-LBPRGKRZSA-N 1 2 273.333 -1.549 20 0 CAADLO CNC(=O)C[N@@H+]1CCC[C@](CO)(NC(=O)[C@@H]2CCCO2)C1 ZINC001393441160 888785104 /nfs/dbraw/zinc/78/51/04/888785104.db2.gz UTLWDJUJBCQDJL-FZMZJTMJSA-N 1 2 299.371 -1.146 20 0 CAADLO CNC(=O)C[N@H+]1CCC[C@](CO)(NC(=O)[C@@H]2CCCO2)C1 ZINC001393441160 888785120 /nfs/dbraw/zinc/78/51/20/888785120.db2.gz UTLWDJUJBCQDJL-FZMZJTMJSA-N 1 2 299.371 -1.146 20 0 CAADLO C[C@H](O)C[N@@H+]1CCOC[C@@H]1CNC(=O)CCn1ccnn1 ZINC001393512805 888791240 /nfs/dbraw/zinc/79/12/40/888791240.db2.gz RMQDPWMDLLSPII-RYUDHWBXSA-N 1 2 297.359 -1.134 20 0 CAADLO C[C@H](O)C[N@H+]1CCOC[C@@H]1CNC(=O)CCn1ccnn1 ZINC001393512805 888791252 /nfs/dbraw/zinc/79/12/52/888791252.db2.gz RMQDPWMDLLSPII-RYUDHWBXSA-N 1 2 297.359 -1.134 20 0 CAADLO C[C@H](O)C[N@@H+]1CCOC[C@H]1CNC(=O)CCn1ccnn1 ZINC001393512801 888791904 /nfs/dbraw/zinc/79/19/04/888791904.db2.gz RMQDPWMDLLSPII-NWDGAFQWSA-N 1 2 297.359 -1.134 20 0 CAADLO C[C@H](O)C[N@H+]1CCOC[C@H]1CNC(=O)CCn1ccnn1 ZINC001393512801 888791919 /nfs/dbraw/zinc/79/19/19/888791919.db2.gz RMQDPWMDLLSPII-NWDGAFQWSA-N 1 2 297.359 -1.134 20 0 CAADLO NC(=O)CCCC(=O)NC[C@@H]1COCC[N@@H+]1CCCO ZINC001393520488 888792210 /nfs/dbraw/zinc/79/22/10/888792210.db2.gz IBXZJNNFWISYDQ-LLVKDONJSA-N 1 2 287.360 -1.159 20 0 CAADLO NC(=O)CCCC(=O)NC[C@@H]1COCC[N@H+]1CCCO ZINC001393520488 888792221 /nfs/dbraw/zinc/79/22/21/888792221.db2.gz IBXZJNNFWISYDQ-LLVKDONJSA-N 1 2 287.360 -1.159 20 0 CAADLO CC[C@H](NC(C)=O)C(=O)N[C@H]1COC2(C[NH+](CCO)C2)C1 ZINC001393657149 888797926 /nfs/dbraw/zinc/79/79/26/888797926.db2.gz HGCTXVAHDUEBMQ-NEPJUHHUSA-N 1 2 299.371 -1.147 20 0 CAADLO CC[C@H](NC(C)=O)C(=O)N[C@@H]1COC2(C[NH+](CCO)C2)C1 ZINC001393657153 888798168 /nfs/dbraw/zinc/79/81/68/888798168.db2.gz HGCTXVAHDUEBMQ-RYUDHWBXSA-N 1 2 299.371 -1.147 20 0 CAADLO CCC(=O)NCC(=O)N[C@@H]1COC2(C[NH+](CCO)C2)C1 ZINC001393668805 888798763 /nfs/dbraw/zinc/79/87/63/888798763.db2.gz PTAQLMWUHRKMGY-JTQLQIEISA-N 1 2 285.344 -1.536 20 0 CAADLO O=C(Cn1cnnn1)NC[C@H]1CCC2(C[NH+](CCO)C2)O1 ZINC001393648768 888800227 /nfs/dbraw/zinc/80/02/27/888800227.db2.gz GJUCFXYNGOOWCL-SNVBAGLBSA-N 1 2 296.331 -1.985 20 0 CAADLO O=C(Cn1cnnn1)NC[C@@H]1CCC2(C[NH+](CCO)C2)O1 ZINC001393648743 888800267 /nfs/dbraw/zinc/80/02/67/888800267.db2.gz GJUCFXYNGOOWCL-JTQLQIEISA-N 1 2 296.331 -1.985 20 0 CAADLO CC(=O)NC1(CO)CC[NH+](Cc2nc(=O)n(C)[nH]2)CC1 ZINC001393835837 888805005 /nfs/dbraw/zinc/80/50/05/888805005.db2.gz LMRLZVGTFCBOQL-UHFFFAOYSA-N 1 2 283.332 -1.429 20 0 CAADLO CNC(=O)C[NH+]1CCC(CO)(NC(=O)c2nnc[nH]2)CC1 ZINC001393846452 888806965 /nfs/dbraw/zinc/80/69/65/888806965.db2.gz IOWZKYYJPKFWQT-UHFFFAOYSA-N 1 2 296.331 -1.893 20 0 CAADLO CCO[C@@H]1C[C@@H]1C(=O)NC1(CO)CC[NH+](CC(N)=O)CC1 ZINC001393837946 888807537 /nfs/dbraw/zinc/80/75/37/888807537.db2.gz OZIYHXLRNNDJGG-WDEREUQCSA-N 1 2 299.371 -1.160 20 0 CAADLO CN(C(=O)Cc1c[nH+]c[nH]1)C1CN(C(=O)CNC(N)=O)C1 ZINC001394124405 888815944 /nfs/dbraw/zinc/81/59/44/888815944.db2.gz ZTEMCSXGBDQLRB-UHFFFAOYSA-N 1 2 294.315 -1.710 20 0 CAADLO CC(C)[C@@H](O)C(=O)NC1(CCO)C[NH+](C[C@@H](C)O)C1 ZINC001394147514 888816449 /nfs/dbraw/zinc/81/64/49/888816449.db2.gz MXTDWQUVVOZEFJ-GHMZBOCLSA-N 1 2 274.361 -1.063 20 0 CAADLO C[C@@H](O)C[NH+]1CC(CCO)(NC(=O)[C@H]2CCC(=O)N2)C1 ZINC001394146138 888817143 /nfs/dbraw/zinc/81/71/43/888817143.db2.gz HEESOKHXWPUVIJ-NXEZZACHSA-N 1 2 285.344 -1.801 20 0 CAADLO C[C@@H](O)C[NH+]1CC(CCO)(NC(=O)CCc2nnc[nH]2)C1 ZINC001394147834 888817652 /nfs/dbraw/zinc/81/76/52/888817652.db2.gz KZESJUFSXZELKX-SNVBAGLBSA-N 1 2 297.359 -1.329 20 0 CAADLO CC(=O)NCC(=O)NC1(CCO)C[NH+](C[C@H](C)O)C1 ZINC001394137936 888818657 /nfs/dbraw/zinc/81/86/57/888818657.db2.gz VRWDCLIUYRNQQV-VIFPVBQESA-N 1 2 273.333 -1.944 20 0 CAADLO C[C@H](O)C[NH+]1CC(CCO)(NC(=O)CCc2nnc[nH]2)C1 ZINC001394147832 888819535 /nfs/dbraw/zinc/81/95/35/888819535.db2.gz KZESJUFSXZELKX-JTQLQIEISA-N 1 2 297.359 -1.329 20 0 CAADLO C[C@@H](O)C[NH+]1CC(CCO)(NC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001394159446 888820701 /nfs/dbraw/zinc/82/07/01/888820701.db2.gz VQMMNKFVZNYJNJ-WYUUTHIRSA-N 1 2 284.356 -1.187 20 0 CAADLO COCC[NH+]1CC(CCO)(NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001394157007 888820815 /nfs/dbraw/zinc/82/08/15/888820815.db2.gz INSCUHDXTUSPTL-SECBINFHSA-N 1 2 286.332 -2.133 20 0 CAADLO O=C(NC1(CCO)C[NH+](CCO)C1)[C@H]1[C@@H]2COC[C@@H]21 ZINC001394156465 888820879 /nfs/dbraw/zinc/82/08/79/888820879.db2.gz GVERANFFJQZMQM-URLYPYJESA-N 1 2 270.329 -1.576 20 0 CAADLO C[C@H](C(N)=O)N1CC(CCO)(NC(=O)Cn2cc[nH+]c2)C1 ZINC001394171315 888821256 /nfs/dbraw/zinc/82/12/56/888821256.db2.gz SRJKPDYTDDPKTG-SNVBAGLBSA-N 1 2 295.343 -1.690 20 0 CAADLO COCC[NH+]1CC(CCO)(NC(=O)Cn2cncn2)C1 ZINC001394167636 888821307 /nfs/dbraw/zinc/82/13/07/888821307.db2.gz XUGKBQGFHOLHQN-UHFFFAOYSA-N 1 2 283.332 -1.523 20 0 CAADLO C[C@@H]1OCC[C@@H]1C(=O)NC1(CCO)C[NH+](CCO)C1 ZINC001394160823 888821334 /nfs/dbraw/zinc/82/13/34/888821334.db2.gz JDNGKISJZJOJLH-QWRGUYRKSA-N 1 2 272.345 -1.043 20 0 CAADLO Cn1nnc(C(=O)NC2(CCO)C[NH+](CCCF)C2)n1 ZINC001394156851 888821447 /nfs/dbraw/zinc/82/14/47/888821447.db2.gz JMJTYKZTTNKCOC-UHFFFAOYSA-N 1 2 286.311 -1.264 20 0 CAADLO COCC[NH+]1CC(CCO)(NC(=O)[C@@H]2CCC(=O)NC2)C1 ZINC001394156531 888822051 /nfs/dbraw/zinc/82/20/51/888822051.db2.gz UTIYWBHRTXIMIK-LLVKDONJSA-N 1 2 299.371 -1.288 20 0 CAADLO CO[C@@H](C)C[NH+]1CC(CCO)(NC(=O)c2nnn(C)n2)C1 ZINC001394156965 888823353 /nfs/dbraw/zinc/82/33/53/888823353.db2.gz KUMMXCFGRITUPD-VIFPVBQESA-N 1 2 298.347 -1.588 20 0 CAADLO CO[C@H](C)C[NH+]1CC(CCO)(NC(=O)c2nnn(C)n2)C1 ZINC001394156961 888823453 /nfs/dbraw/zinc/82/34/53/888823453.db2.gz KUMMXCFGRITUPD-SECBINFHSA-N 1 2 298.347 -1.588 20 0 CAADLO CNC(=O)C[NH+]1CC([C@@H](C)NC(=O)Cc2nnc(C)[nH]2)C1 ZINC001394231043 888823763 /nfs/dbraw/zinc/82/37/63/888823763.db2.gz ISARVZDLWNBINO-MRVPVSSYSA-N 1 2 294.359 -1.162 20 0 CAADLO Cc1nnc(CC(=O)N[C@H](C)C2C[NH+](CC(N)=O)C2)o1 ZINC001394235558 888823956 /nfs/dbraw/zinc/82/39/56/888823956.db2.gz STTILJVUQRCARB-SSDOTTSWSA-N 1 2 281.316 -1.158 20 0 CAADLO C[C@@H](NC(=O)CN1CCCNC1=O)C1C[NH+](CC(N)=O)C1 ZINC001394251341 888825089 /nfs/dbraw/zinc/82/50/89/888825089.db2.gz YJOLJXRMSSTSPX-SECBINFHSA-N 1 2 297.359 -1.677 20 0 CAADLO C[C@H](NC(=O)CN1CCCNC1=O)C1C[NH+](CC(N)=O)C1 ZINC001394251345 888825815 /nfs/dbraw/zinc/82/58/15/888825815.db2.gz YJOLJXRMSSTSPX-VIFPVBQESA-N 1 2 297.359 -1.677 20 0 CAADLO COC[C@H](OC)C(=O)N[C@@H](C)C1C[NH+](CC(N)=O)C1 ZINC001394246272 888826274 /nfs/dbraw/zinc/82/62/74/888826274.db2.gz HCVQXDDOVKDEPB-WPRPVWTQSA-N 1 2 273.333 -1.430 20 0 CAADLO COCC(=O)NC[C@H](CO)[NH2+]Cc1nnc2n1CCCC2 ZINC001394561608 888834222 /nfs/dbraw/zinc/83/42/22/888834222.db2.gz ICWIBHPJWGLFEW-SNVBAGLBSA-N 1 2 297.359 -1.173 20 0 CAADLO Cn1nnnc1C[NH2+][C@H](CO)CNC(=O)c1ccco1 ZINC001394564825 888834322 /nfs/dbraw/zinc/83/43/22/888834322.db2.gz PURJKPFTQORKDQ-QMMMGPOBSA-N 1 2 280.288 -1.316 20 0 CAADLO CNC(=O)[C@H](C)[NH2+][C@H](C)CN(C)C(=O)Cc1ncn[nH]1 ZINC001394545282 888834535 /nfs/dbraw/zinc/83/45/35/888834535.db2.gz OCAQIMAYCOCEBE-BDAKNGLRSA-N 1 2 282.348 -1.082 20 0 CAADLO Cn1[nH]c(C[NH2+][C@H](CO)CNC(=O)CC2CC2)nc1=O ZINC001394566866 888834919 /nfs/dbraw/zinc/83/49/19/888834919.db2.gz XGZFOGXHUAXJJJ-VIFPVBQESA-N 1 2 283.332 -1.525 20 0 CAADLO O=C(NC[C@@H](CO)[NH2+]Cc1nnnn1C1CC1)C(F)F ZINC001394566394 888835404 /nfs/dbraw/zinc/83/54/04/888835404.db2.gz SWXPNOQIJHWCHM-LURJTMIESA-N 1 2 290.274 -1.160 20 0 CAADLO CNC(=O)[C@H](C)[NH2+][C@@H](C)CN(C)C(=O)Cc1ncn[nH]1 ZINC001394545289 888836056 /nfs/dbraw/zinc/83/60/56/888836056.db2.gz OCAQIMAYCOCEBE-IUCAKERBSA-N 1 2 282.348 -1.082 20 0 CAADLO Cc1nnc(C[NH2+][C@@H](CO)CNC(=O)c2ccnn2C)[nH]1 ZINC001394571675 888839285 /nfs/dbraw/zinc/83/92/85/888839285.db2.gz CTHDVEQHPIUKHL-SECBINFHSA-N 1 2 293.331 -1.273 20 0 CAADLO CCO[C@@H](C)C(=O)NC[C@@H](CO)[NH2+]Cc1ncnn1C ZINC001394573156 888839609 /nfs/dbraw/zinc/83/96/09/888839609.db2.gz MGCRUOCWWUZLDY-UWVGGRQHSA-N 1 2 285.348 -1.193 20 0 CAADLO Cn1nnnc1C[NH2+][C@H](CO)CNC(=O)c1ccon1 ZINC001394571792 888839997 /nfs/dbraw/zinc/83/99/97/888839997.db2.gz JUEJNVUFJTYXPN-ZETCQYMHSA-N 1 2 281.276 -1.921 20 0 CAADLO Cn1cc(C[NH2+][C@H](CO)CNC(=O)Cn2cccn2)nn1 ZINC001394574752 888840533 /nfs/dbraw/zinc/84/05/33/888840533.db2.gz WWVISDJQBZYEOA-NSHDSACASA-N 1 2 293.331 -1.722 20 0 CAADLO Cn1ncc(C[NH2+][C@@H](CO)CNC(=O)C[C@@H]2CCCO2)n1 ZINC001394572463 888840908 /nfs/dbraw/zinc/84/09/08/888840908.db2.gz LWMHRYGKSLYCTB-NEPJUHHUSA-N 1 2 297.359 -1.049 20 0 CAADLO Cn1ncc(C[NH2+][C@H](CO)CNC(=O)C[C@@H]2CCCO2)n1 ZINC001394572474 888840963 /nfs/dbraw/zinc/84/09/63/888840963.db2.gz LWMHRYGKSLYCTB-RYUDHWBXSA-N 1 2 297.359 -1.049 20 0 CAADLO Cn1nnnc1C[NH2+][C@@H](CO)CNC(=O)c1ccon1 ZINC001394571776 888841365 /nfs/dbraw/zinc/84/13/65/888841365.db2.gz JUEJNVUFJTYXPN-SSDOTTSWSA-N 1 2 281.276 -1.921 20 0 CAADLO Cc1nnc(C[NH2+][C@H](CO)CNC(=O)Cc2ccon2)[nH]1 ZINC001394578137 888842613 /nfs/dbraw/zinc/84/26/13/888842613.db2.gz KUYTXDSSDNSKMS-JTQLQIEISA-N 1 2 294.315 -1.089 20 0 CAADLO O=C(CCc1nc[nH]n1)NC[C@@H](CO)[NH2+][C@@H]1CCNC1=O ZINC001394578135 888843119 /nfs/dbraw/zinc/84/31/19/888843119.db2.gz JXLMFNKYISWJQI-DTWKUNHWSA-N 1 2 296.331 -2.308 20 0 CAADLO CO[C@@H](C)CC(=O)NC[C@@H](CO)[NH2+]Cc1ncnn1C ZINC001394579183 888844355 /nfs/dbraw/zinc/84/43/55/888844355.db2.gz VEZGNUXWGZXYGT-UWVGGRQHSA-N 1 2 285.348 -1.193 20 0 CAADLO Cn1nnnc1C[NH2+][C@@H](CO)CNC(=O)[C@H]1CCCO1 ZINC001394576708 888844734 /nfs/dbraw/zinc/84/47/34/888844734.db2.gz MFASSRKJDYRHLV-RKDXNWHRSA-N 1 2 284.320 -2.044 20 0 CAADLO O=C(CCc1nc[nH]n1)NC[C@H](CO)[NH2+][C@@H]1CCNC1=O ZINC001394578236 888845001 /nfs/dbraw/zinc/84/50/01/888845001.db2.gz JXLMFNKYISWJQI-RKDXNWHRSA-N 1 2 296.331 -2.308 20 0 CAADLO Cn1nnnc1C[NH2+][C@H](CO)CNC(=O)[C@H]1CCCO1 ZINC001394576688 888845335 /nfs/dbraw/zinc/84/53/35/888845335.db2.gz MFASSRKJDYRHLV-DTWKUNHWSA-N 1 2 284.320 -2.044 20 0 CAADLO Cn1cc(C(=O)NC[C@H](CO)[NH2+]Cc2cnn(C)n2)nn1 ZINC001394581049 888847284 /nfs/dbraw/zinc/84/72/84/888847284.db2.gz MFTQRRVOTONELQ-SECBINFHSA-N 1 2 294.319 -2.176 20 0 CAADLO CO[C@@H](C(=O)NC[C@@H](CO)[NH2+]Cc1nncn1C)C1CC1 ZINC001394586648 888851973 /nfs/dbraw/zinc/85/19/73/888851973.db2.gz YDRDZJZLAISYDZ-CMPLNLGQSA-N 1 2 297.359 -1.193 20 0 CAADLO Cn1ccc(C(=O)NC[C@H](CO)[NH2+]Cc2nnnn2C)c1 ZINC001394588105 888853213 /nfs/dbraw/zinc/85/32/13/888853213.db2.gz SVWLGBIMJZGAOC-SNVBAGLBSA-N 1 2 293.331 -1.571 20 0 CAADLO CO[C@@H](C(=O)NC[C@H](CO)[NH2+]Cc1nncn1C)C1CC1 ZINC001394586668 888853287 /nfs/dbraw/zinc/85/32/87/888853287.db2.gz YDRDZJZLAISYDZ-ZYHUDNBSSA-N 1 2 297.359 -1.193 20 0 CAADLO CCn1ccc(C[NH2+][C@H](CO)CNC(=O)c2cn[nH]n2)n1 ZINC001394603227 888856010 /nfs/dbraw/zinc/85/60/10/888856010.db2.gz JOZPBFILPJCGJZ-JTQLQIEISA-N 1 2 293.331 -1.098 20 0 CAADLO CCn1ccc(C[NH2+][C@@H](CO)CNC(=O)c2cn[nH]n2)n1 ZINC001394603229 888856236 /nfs/dbraw/zinc/85/62/36/888856236.db2.gz JOZPBFILPJCGJZ-SNVBAGLBSA-N 1 2 293.331 -1.098 20 0 CAADLO Cn1cnnc1C[NH2+][C@H](CO)CNC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001394607971 888856470 /nfs/dbraw/zinc/85/64/70/888856470.db2.gz BGCARJIYZZPBPD-UXCLJVHYSA-N 1 2 295.343 -1.726 20 0 CAADLO COCC1(C(=O)NC[C@H](CO)[NH2+]Cc2cn(C)nn2)CC1 ZINC001394612778 888859288 /nfs/dbraw/zinc/85/92/88/888859288.db2.gz FCZIBVKVJGQJQJ-LLVKDONJSA-N 1 2 297.359 -1.192 20 0 CAADLO CN1CC(C(=O)NC[C@H](CO)[NH2+][C@@H]2CCNC2=O)=NC1=O ZINC001394621673 888863738 /nfs/dbraw/zinc/86/37/38/888863738.db2.gz QAGVMQHVOYBPFI-HTQZYQBOSA-N 1 2 297.315 -2.306 20 0 CAADLO Cn1cnnc1C[NH2+][C@H](CO)CNC(=O)[C@@H]1CNC(=O)N1 ZINC001394625793 888864555 /nfs/dbraw/zinc/86/45/55/888864555.db2.gz ZTZHBCSKIFSIOJ-YUMQZZPRSA-N 1 2 297.319 -2.937 20 0 CAADLO Cn1nnnc1C[NH2+][C@@H](CO)CNC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001394626023 888865114 /nfs/dbraw/zinc/86/51/14/888865114.db2.gz STYWCYKGODZUNE-REIXXSIJSA-N 1 2 296.331 -2.331 20 0 CAADLO Cc1nc(C[NH2+][C@H](CO)CNC(=O)c2nnn(C)n2)co1 ZINC001394623329 888865446 /nfs/dbraw/zinc/86/54/46/888865446.db2.gz MFMAIYNSGSEFEN-QMMMGPOBSA-N 1 2 295.303 -1.613 20 0 CAADLO CC[C@H](F)C(=O)NC[C@H](CO)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001394620845 888866670 /nfs/dbraw/zinc/86/66/70/888866670.db2.gz VANRCIOHHJVDPY-SFYZADRCSA-N 1 2 289.311 -1.577 20 0 CAADLO Cc1cnoc1C(=O)NC[C@@H](CO)[NH2+]Cc1nnnn1C ZINC001394642138 888869035 /nfs/dbraw/zinc/86/90/35/888869035.db2.gz LMRSREXQJAVRFP-QMMMGPOBSA-N 1 2 295.303 -1.613 20 0 CAADLO CN1CC[C@H]([NH2+][C@@H](CO)CNC(=O)Cc2nnc[nH]2)C1=O ZINC001394642644 888870313 /nfs/dbraw/zinc/87/03/13/888870313.db2.gz HALRKONDEQLWSU-BDAKNGLRSA-N 1 2 296.331 -2.355 20 0 CAADLO Cn1cc(C[NH2+][C@H](CO)CNC(=O)Cn2cncn2)nn1 ZINC001394645543 888870533 /nfs/dbraw/zinc/87/05/33/888870533.db2.gz BKRKXPMIMXLFKH-JTQLQIEISA-N 1 2 294.319 -2.327 20 0 CAADLO Cn1ncc(C[NH2+][C@H](CO)CNC(=O)c2ncccn2)n1 ZINC001394654371 888873364 /nfs/dbraw/zinc/87/33/64/888873364.db2.gz XEEVTTLAAYHSJL-JTQLQIEISA-N 1 2 291.315 -1.514 20 0 CAADLO Cn1ncnc1C[NH2+][C@@H](CO)CNC(=O)c1ncccn1 ZINC001394653979 888873875 /nfs/dbraw/zinc/87/38/75/888873875.db2.gz VSGMLCLVQKICFI-SECBINFHSA-N 1 2 291.315 -1.514 20 0 CAADLO Cn1ncnc1C[NH2+][C@H](CO)CNC(=O)c1cnon1 ZINC001394654192 888875694 /nfs/dbraw/zinc/87/56/94/888875694.db2.gz WTMLFFBUCJSJCW-ZETCQYMHSA-N 1 2 281.276 -1.921 20 0 CAADLO Cc1c[nH]cc1C(=O)NC[C@H](CO)[NH2+]Cc1nnnn1C ZINC001394658809 888877248 /nfs/dbraw/zinc/87/72/48/888877248.db2.gz ZIAOSHOLCDFDNR-SECBINFHSA-N 1 2 293.331 -1.273 20 0 CAADLO Cn1ccc(C(=O)NC[C@@H](CO)[NH2+]Cc2cnn(C)n2)n1 ZINC001394658554 888879163 /nfs/dbraw/zinc/87/91/63/888879163.db2.gz XTEJUTLYXDLHNS-JTQLQIEISA-N 1 2 293.331 -1.571 20 0 CAADLO CNC(=O)Cc1noc(C[NH2+]C[C@@H](O)CN(C)C(C)=O)n1 ZINC001394726240 888885044 /nfs/dbraw/zinc/88/50/44/888885044.db2.gz PBXMPGPWJUMTKS-SECBINFHSA-N 1 2 299.331 -1.713 20 0 CAADLO COCC[N@H+](CCNC(=O)c1cnn(C)c1)[C@@H](C)C(N)=O ZINC001394833557 888895950 /nfs/dbraw/zinc/89/59/50/888895950.db2.gz SBOOTBJADBRWPS-JTQLQIEISA-N 1 2 297.359 -1.028 20 0 CAADLO COCC[N@@H+](CCNC(=O)c1cnn(C)c1)[C@@H](C)C(N)=O ZINC001394833557 888895963 /nfs/dbraw/zinc/89/59/63/888895963.db2.gz SBOOTBJADBRWPS-JTQLQIEISA-N 1 2 297.359 -1.028 20 0 CAADLO CNC(=O)C[N@H+](CCNC(=O)c1nnn(C)n1)CCOC ZINC001394837999 888899309 /nfs/dbraw/zinc/89/93/09/888899309.db2.gz CAVQQKOTNNIPIU-UHFFFAOYSA-N 1 2 299.335 -2.366 20 0 CAADLO CNC(=O)C[N@@H+](CCNC(=O)c1nnn(C)n1)CCOC ZINC001394837999 888899324 /nfs/dbraw/zinc/89/93/24/888899324.db2.gz CAVQQKOTNNIPIU-UHFFFAOYSA-N 1 2 299.335 -2.366 20 0 CAADLO COCC[N@H+](CCNC(=O)c1nnn(C)c1C)CC(N)=O ZINC001394832035 888899964 /nfs/dbraw/zinc/89/99/64/888899964.db2.gz WXUPRLNSBCSSDO-UHFFFAOYSA-N 1 2 298.347 -1.713 20 0 CAADLO COCC[N@@H+](CCNC(=O)c1nnn(C)c1C)CC(N)=O ZINC001394832035 888899983 /nfs/dbraw/zinc/89/99/83/888899983.db2.gz WXUPRLNSBCSSDO-UHFFFAOYSA-N 1 2 298.347 -1.713 20 0 CAADLO COCC[N@H+](CCNC(=O)[C@@]1(F)CCOC1)CC(N)=O ZINC001394838643 888901379 /nfs/dbraw/zinc/90/13/79/888901379.db2.gz VNPFNGAVWKLUMK-GFCCVEGCSA-N 1 2 291.323 -1.335 20 0 CAADLO COCC[N@@H+](CCNC(=O)[C@@]1(F)CCOC1)CC(N)=O ZINC001394838643 888901384 /nfs/dbraw/zinc/90/13/84/888901384.db2.gz VNPFNGAVWKLUMK-GFCCVEGCSA-N 1 2 291.323 -1.335 20 0 CAADLO CC(=O)NCC(=O)NC[C@H](C)N(C)C(=O)Cn1cc[nH+]c1 ZINC001395032224 888902771 /nfs/dbraw/zinc/90/27/71/888902771.db2.gz RNJWRFYXCQWOAS-JTQLQIEISA-N 1 2 295.343 -1.018 20 0 CAADLO CCC(=O)N1CC(CCO)(NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001395192792 888905251 /nfs/dbraw/zinc/90/52/51/888905251.db2.gz ADAMSKVLOKBCET-NSHDSACASA-N 1 2 299.371 -1.193 20 0 CAADLO CCC(=O)N1CC(CCO)(NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001395192792 888905265 /nfs/dbraw/zinc/90/52/65/888905265.db2.gz ADAMSKVLOKBCET-NSHDSACASA-N 1 2 299.371 -1.193 20 0 CAADLO COCC(=O)NC1(CCO)CN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001395191519 888907092 /nfs/dbraw/zinc/90/70/92/888907092.db2.gz UFYAKQZNRFHYAC-UHFFFAOYSA-N 1 2 296.327 -1.322 20 0 CAADLO CO[C@@H](C)C(=O)NC[C@H](CO)NC(=O)Cc1[nH]cc[nH+]1 ZINC001395700614 888918821 /nfs/dbraw/zinc/91/88/21/888918821.db2.gz VFLDRROKTLKAGN-DTWKUNHWSA-N 1 2 284.316 -1.420 20 0 CAADLO CO[C@H](C)C(=O)NC[C@H](CO)NC(=O)Cc1[nH]cc[nH+]1 ZINC001395700617 888919970 /nfs/dbraw/zinc/91/99/70/888919970.db2.gz VFLDRROKTLKAGN-RKDXNWHRSA-N 1 2 284.316 -1.420 20 0 CAADLO CC(C)OCC(=O)NC[C@@H](CO)NC(=O)Cn1cc[nH+]c1 ZINC001395697078 888920074 /nfs/dbraw/zinc/92/00/74/888920074.db2.gz HVTKULLUFFGUAL-NSHDSACASA-N 1 2 298.343 -1.099 20 0 CAADLO CO[C@@H](C)CC(=O)NC[C@H](CO)NC(=O)Cn1cc[nH+]c1 ZINC001395696243 888920194 /nfs/dbraw/zinc/92/01/94/888920194.db2.gz JOGPOFXEIUXWOU-WDEREUQCSA-N 1 2 298.343 -1.099 20 0 CAADLO CC(C)[C@@H](O)C(=O)NC[C@H](CO)NC(=O)Cc1[nH]cc[nH+]1 ZINC001395728822 888925651 /nfs/dbraw/zinc/92/56/51/888925651.db2.gz ZNRRVUBAIAIGPZ-BXKDBHETSA-N 1 2 298.343 -1.438 20 0 CAADLO CO[C@H](C)C(=O)N[C@@H](CO)CNC(=O)Cc1[nH]c[nH+]c1C ZINC001395777484 888932218 /nfs/dbraw/zinc/93/22/18/888932218.db2.gz LMKBKMXMKFMXCA-NXEZZACHSA-N 1 2 298.343 -1.111 20 0 CAADLO O=C(Cc1c[nH]c[nH+]1)NC[C@@H](CO)NC(=O)c1cocn1 ZINC001395833512 888935196 /nfs/dbraw/zinc/93/51/96/888935196.db2.gz XLUATIKQGMXKQC-VIFPVBQESA-N 1 2 293.283 -1.153 20 0 CAADLO CO[C@@H](C)C(=O)N[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1O ZINC001396372451 888944431 /nfs/dbraw/zinc/94/44/31/888944431.db2.gz UMGQEGYZJUKCRP-JMJZKYOTSA-N 1 2 296.327 -1.325 20 0 CAADLO COCC(=O)N[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1O ZINC001396625561 888949050 /nfs/dbraw/zinc/94/90/50/888949050.db2.gz OURVTUBFNCCFGZ-VHSXEESVSA-N 1 2 296.327 -1.323 20 0 CAADLO COCC(=O)N[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1O ZINC001396625559 888949119 /nfs/dbraw/zinc/94/91/19/888949119.db2.gz OURVTUBFNCCFGZ-UWVGGRQHSA-N 1 2 296.327 -1.323 20 0 CAADLO COCC(=O)N[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1O ZINC001396625564 888949717 /nfs/dbraw/zinc/94/97/17/888949717.db2.gz OURVTUBFNCCFGZ-ZJUUUORDSA-N 1 2 296.327 -1.323 20 0 CAADLO NC(=O)NCC(=O)N1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001396941818 888951789 /nfs/dbraw/zinc/95/17/89/888951789.db2.gz UPHWMIPQSGBWEX-QMMMGPOBSA-N 1 2 294.315 -1.662 20 0 CAADLO COCCC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCCNC2=O)C[C@@H]1O ZINC001396926183 888952054 /nfs/dbraw/zinc/95/20/54/888952054.db2.gz MQZRIQUEEHEWPL-MXWKQRLJSA-N 1 2 285.344 -1.537 20 0 CAADLO COCCC(=O)N[C@@H]1C[N@H+]([C@@H]2CCCNC2=O)C[C@@H]1O ZINC001396926183 888952061 /nfs/dbraw/zinc/95/20/61/888952061.db2.gz MQZRIQUEEHEWPL-MXWKQRLJSA-N 1 2 285.344 -1.537 20 0 CAADLO C[C@@H](CNC(=O)[C@@H]1COC(=O)N1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001397424932 888966375 /nfs/dbraw/zinc/96/63/75/888966375.db2.gz WZOHMZVYEKMALK-CBAPKCEASA-N 1 2 295.299 -1.319 20 0 CAADLO C[C@H](CNC(=O)CCNC(N)=O)NC(=O)Cn1cc[nH+]c1 ZINC001397425715 888966675 /nfs/dbraw/zinc/96/66/75/888966675.db2.gz BYUWPRUDAOTOPP-SECBINFHSA-N 1 2 296.331 -1.438 20 0 CAADLO CS(=O)(=O)CCC(=O)N[C@@H]1C[N@H+](CCCF)C[C@@H]1O ZINC001397488359 888969199 /nfs/dbraw/zinc/96/91/99/888969199.db2.gz GLTLZTLDSIMTIC-ZJUUUORDSA-N 1 2 296.364 -1.058 20 0 CAADLO CS(=O)(=O)CCC(=O)N[C@@H]1C[N@@H+](CCCF)C[C@@H]1O ZINC001397488359 888969209 /nfs/dbraw/zinc/96/92/09/888969209.db2.gz GLTLZTLDSIMTIC-ZJUUUORDSA-N 1 2 296.364 -1.058 20 0 CAADLO C[C@H](CNC(=O)Cn1cc[nH+]c1)NC(=O)Cc1nc[nH]n1 ZINC001397488957 888970501 /nfs/dbraw/zinc/97/05/01/888970501.db2.gz NRLMMHYNCLXCAO-SECBINFHSA-N 1 2 291.315 -1.135 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)Cc1nnc[nH]1 ZINC001397553851 888970533 /nfs/dbraw/zinc/97/05/33/888970533.db2.gz NXQPMSNREOWQBQ-SECBINFHSA-N 1 2 280.332 -1.374 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)Cc1nnc[nH]1 ZINC001397553851 888970540 /nfs/dbraw/zinc/97/05/40/888970540.db2.gz NXQPMSNREOWQBQ-SECBINFHSA-N 1 2 280.332 -1.374 20 0 CAADLO C[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)NC(=O)Cn1cnnn1 ZINC001397628181 888971926 /nfs/dbraw/zinc/97/19/26/888971926.db2.gz MAHRHAZKMCPXOP-QMMMGPOBSA-N 1 2 292.303 -1.740 20 0 CAADLO C[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)NC(=O)[C@@H]1COCCO1 ZINC001397634218 888972439 /nfs/dbraw/zinc/97/24/39/888972439.db2.gz SWGCKYMYOKHHNO-ONGXEEELSA-N 1 2 296.327 -1.012 20 0 CAADLO C[C@H](CCNC(=O)Cn1cc[nH+]c1)NC(=O)CNC(N)=O ZINC001397826464 888975438 /nfs/dbraw/zinc/97/54/38/888975438.db2.gz XANIONVDWLZJBB-SECBINFHSA-N 1 2 296.331 -1.438 20 0 CAADLO C[C@@H](O)C[N@@H+]1CC[C@H](NC(=O)CS(C)(=O)=O)[C@H]1C ZINC001397781603 888977231 /nfs/dbraw/zinc/97/72/31/888977231.db2.gz QRDVTNMVVQRWKC-BBBLOLIVSA-N 1 2 278.374 -1.009 20 0 CAADLO C[C@@H](O)C[N@H+]1CC[C@H](NC(=O)CS(C)(=O)=O)[C@H]1C ZINC001397781603 888977247 /nfs/dbraw/zinc/97/72/47/888977247.db2.gz QRDVTNMVVQRWKC-BBBLOLIVSA-N 1 2 278.374 -1.009 20 0 CAADLO COC(=O)NCC(=O)NCCN(C)C(=O)Cn1cc[nH+]c1 ZINC001397877695 888979773 /nfs/dbraw/zinc/97/97/73/888979773.db2.gz GSBGRSQEUJNCAZ-UHFFFAOYSA-N 1 2 297.315 -1.186 20 0 CAADLO CN(CCNC(=O)Cc1[nH]cc[nH+]1)C(=O)[C@@H]1COC(=O)N1 ZINC001398024131 888985603 /nfs/dbraw/zinc/98/56/03/888985603.db2.gz VGTYKJPMPSXAOK-QMMMGPOBSA-N 1 2 295.299 -1.365 20 0 CAADLO CN(CCNC(=O)Cc1c[nH]c[nH+]1)C(=O)Cn1cncn1 ZINC001398060321 888986966 /nfs/dbraw/zinc/98/69/66/888986966.db2.gz RTBFMSKEYVCNEZ-UHFFFAOYSA-N 1 2 291.315 -1.182 20 0 CAADLO CNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C)CC(N)=O)C1 ZINC001398221920 888988122 /nfs/dbraw/zinc/98/81/22/888988122.db2.gz AXDDLQABPJCAFH-VHSXEESVSA-N 1 2 284.360 -1.176 20 0 CAADLO CNC(=O)C[N@H+]1CCC[C@@H](NC(=O)[C@@H](C)CC(N)=O)C1 ZINC001398221920 888988143 /nfs/dbraw/zinc/98/81/43/888988143.db2.gz AXDDLQABPJCAFH-VHSXEESVSA-N 1 2 284.360 -1.176 20 0 CAADLO CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCC(=O)N2)C1 ZINC001398282295 888988385 /nfs/dbraw/zinc/98/83/85/888988385.db2.gz AQHFYHNXIQVHHP-NXEZZACHSA-N 1 2 282.344 -1.408 20 0 CAADLO CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CCC(=O)N2)C1 ZINC001398282295 888988394 /nfs/dbraw/zinc/98/83/94/888988394.db2.gz AQHFYHNXIQVHHP-NXEZZACHSA-N 1 2 282.344 -1.408 20 0 CAADLO COCC(=O)NCC[NH+]1CCN(Cc2ncnn2C)CC1 ZINC001398229090 888989793 /nfs/dbraw/zinc/98/97/93/888989793.db2.gz KJFVCUZMGRVZHX-UHFFFAOYSA-N 1 2 296.375 -1.305 20 0 CAADLO NC(=O)NC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@]23C[C@H]2COC3)C1 ZINC001398297583 888990069 /nfs/dbraw/zinc/99/00/69/888990069.db2.gz DBECRCHAJMWXHG-RVBZMBCESA-N 1 2 296.327 -1.592 20 0 CAADLO NC(=O)NC(=O)C[N@H+]1CC[C@H](NC(=O)[C@]23C[C@H]2COC3)C1 ZINC001398297583 888990077 /nfs/dbraw/zinc/99/00/77/888990077.db2.gz DBECRCHAJMWXHG-RVBZMBCESA-N 1 2 296.327 -1.592 20 0 CAADLO CC(C)NC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cn2ncnn2)C1 ZINC001398304611 888990088 /nfs/dbraw/zinc/99/00/88/888990088.db2.gz SVGQZXKZIVWJNE-SNVBAGLBSA-N 1 2 295.347 -1.612 20 0 CAADLO CC(C)NC(=O)C[N@H+]1CC[C@@H](NC(=O)Cn2ncnn2)C1 ZINC001398304611 888990091 /nfs/dbraw/zinc/99/00/91/888990091.db2.gz SVGQZXKZIVWJNE-SNVBAGLBSA-N 1 2 295.347 -1.612 20 0 CAADLO COCC(=O)N[C@H]1CC[N@H+](CC(=O)NC(=O)NC2CC2)C1 ZINC001398266298 888990369 /nfs/dbraw/zinc/99/03/69/888990369.db2.gz DFLZLTCVJZZUNU-JTQLQIEISA-N 1 2 298.343 -1.189 20 0 CAADLO COCC(=O)N[C@H]1CC[N@@H+](CC(=O)NC(=O)NC2CC2)C1 ZINC001398266298 888990374 /nfs/dbraw/zinc/99/03/74/888990374.db2.gz DFLZLTCVJZZUNU-JTQLQIEISA-N 1 2 298.343 -1.189 20 0 CAADLO NC(=O)CN1CCN(CCNC(=O)Cn2cc[nH+]c2)CC1 ZINC001398280261 888990679 /nfs/dbraw/zinc/99/06/79/888990679.db2.gz XNKYYOMWWZHUEA-UHFFFAOYSA-N 1 2 294.359 -1.898 20 0 CAADLO NC(=O)NC(=O)C[N@@H+]1CC[C@H](NC(=O)C[C@@H]2CCOC2)C1 ZINC001398294401 888991741 /nfs/dbraw/zinc/99/17/41/888991741.db2.gz QXQQGWFRXZSVQC-UWVGGRQHSA-N 1 2 298.343 -1.202 20 0 CAADLO NC(=O)NC(=O)C[N@H+]1CC[C@H](NC(=O)C[C@@H]2CCOC2)C1 ZINC001398294401 888991745 /nfs/dbraw/zinc/99/17/45/888991745.db2.gz QXQQGWFRXZSVQC-UWVGGRQHSA-N 1 2 298.343 -1.202 20 0 CAADLO CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC001398318994 888992769 /nfs/dbraw/zinc/99/27/69/888992769.db2.gz PLVWOLADEKYJSJ-VHSXEESVSA-N 1 2 297.359 -1.663 20 0 CAADLO CCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC001398318994 888992782 /nfs/dbraw/zinc/99/27/82/888992782.db2.gz PLVWOLADEKYJSJ-VHSXEESVSA-N 1 2 297.359 -1.663 20 0 CAADLO CC(=O)N1CC[NH+](CCN(C)C(=O)Cn2cncn2)CC1 ZINC001398460014 888992907 /nfs/dbraw/zinc/99/29/07/888992907.db2.gz BKTPMVWMORRZAY-UHFFFAOYSA-N 1 2 294.359 -1.099 20 0 CAADLO CC(C)NC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001398313204 888992932 /nfs/dbraw/zinc/99/29/32/888992932.db2.gz RSQNMMPLHUVSKW-AXFHLTTASA-N 1 2 296.371 -1.177 20 0 CAADLO CC(C)NC(=O)C[N@H+]1CC[C@H](NC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001398313204 888992944 /nfs/dbraw/zinc/99/29/44/888992944.db2.gz RSQNMMPLHUVSKW-AXFHLTTASA-N 1 2 296.371 -1.177 20 0 CAADLO CO[C@H](C(=O)N[C@H]1CC[N@H+](CC(N)=O)C1)c1cnn(C)c1 ZINC001398312537 888996081 /nfs/dbraw/zinc/99/60/81/888996081.db2.gz DOVGFRUPLBEDFO-JQWIXIFHSA-N 1 2 295.343 -1.217 20 0 CAADLO CO[C@H](C(=O)N[C@H]1CC[N@@H+](CC(N)=O)C1)c1cnn(C)c1 ZINC001398312537 888996094 /nfs/dbraw/zinc/99/60/94/888996094.db2.gz DOVGFRUPLBEDFO-JQWIXIFHSA-N 1 2 295.343 -1.217 20 0 CAADLO COC[C@@H](OC)C(=O)N1CC(NC(=O)Cn2cc[nH+]c2)C1 ZINC001398625861 889008542 /nfs/dbraw/zinc/00/85/42/889008542.db2.gz ZPTZEDCWAABTRA-LLVKDONJSA-N 1 2 296.327 -1.129 20 0 CAADLO O=C(Cn1cc[nH+]c1)NCC1CN(C(=O)c2nc[nH]n2)C1 ZINC001398780692 889014214 /nfs/dbraw/zinc/01/42/14/889014214.db2.gz BCQZLBZVRKIZBU-UHFFFAOYSA-N 1 2 289.299 -1.110 20 0 CAADLO CC(=O)N[C@@H](C)C(=O)NC[C@H](C)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001398871038 889018006 /nfs/dbraw/zinc/01/80/06/889018006.db2.gz YLGWMUCFHHVKQT-YUMQZZPRSA-N 1 2 298.347 -1.773 20 0 CAADLO CC(=O)NCC(=O)NC[C@@H](C)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001398843645 889020100 /nfs/dbraw/zinc/02/01/00/889020100.db2.gz ANHBODNXDOGUNN-SSDOTTSWSA-N 1 2 284.320 -2.161 20 0 CAADLO C[C@@H](CNC(=O)Cn1ncnn1)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001398935664 889024292 /nfs/dbraw/zinc/02/42/92/889024292.db2.gz NTTTYYNOOROPFN-ZETCQYMHSA-N 1 2 295.307 -2.611 20 0 CAADLO C[C@@H](CNC(=O)[C@@H]1CN(C)C(=O)N1)[NH2+]Cc1cnon1 ZINC001399041063 889026573 /nfs/dbraw/zinc/02/65/73/889026573.db2.gz WGCMCFPIJZTLCM-CBAPKCEASA-N 1 2 282.304 -1.313 20 0 CAADLO Cc1noc(C[NH2+][C@@H](C)CNC(=O)[C@@H]2CN(C)C(=O)N2)n1 ZINC001399011699 889026807 /nfs/dbraw/zinc/02/68/07/889026807.db2.gz FZIHSSJNWFKUCR-CBAPKCEASA-N 1 2 296.331 -1.004 20 0 CAADLO Cc1noc(C[NH2+][C@@H](C)CNC(=O)[C@H]2CN(C)C(=O)N2)n1 ZINC001399011803 889027106 /nfs/dbraw/zinc/02/71/06/889027106.db2.gz FZIHSSJNWFKUCR-IONNQARKSA-N 1 2 296.331 -1.004 20 0 CAADLO Cc1noc(C[NH2+][C@H](C)CNC(=O)[C@@H]2CN(C)C(=O)N2)n1 ZINC001399011693 889027995 /nfs/dbraw/zinc/02/79/95/889027995.db2.gz FZIHSSJNWFKUCR-APPZFPTMSA-N 1 2 296.331 -1.004 20 0 CAADLO CN(C)S(=O)(=O)CC(=O)NCC[N@H+](C)CC(N)=O ZINC001399647629 889054324 /nfs/dbraw/zinc/05/43/24/889054324.db2.gz JUVXJAPLVYNGCJ-UHFFFAOYSA-N 1 2 280.350 -2.589 20 0 CAADLO CN(C)S(=O)(=O)CC(=O)NCC[N@@H+](C)CC(N)=O ZINC001399647629 889054335 /nfs/dbraw/zinc/05/43/35/889054335.db2.gz JUVXJAPLVYNGCJ-UHFFFAOYSA-N 1 2 280.350 -2.589 20 0 CAADLO C[N@H+](CCNC(=O)c1cn[nH]c1)CC(=O)N1CCOCC1 ZINC001399432793 889041521 /nfs/dbraw/zinc/04/15/21/889041521.db2.gz LSGGYVOXRUIYAQ-UHFFFAOYSA-N 1 2 295.343 -1.070 20 0 CAADLO C[N@@H+](CCNC(=O)c1cn[nH]c1)CC(=O)N1CCOCC1 ZINC001399432793 889041538 /nfs/dbraw/zinc/04/15/38/889041538.db2.gz LSGGYVOXRUIYAQ-UHFFFAOYSA-N 1 2 295.343 -1.070 20 0 CAADLO CNC(=O)C[N@H+](C)CCNC(=O)[C@H]1C[C@H]1C(=O)OC ZINC001399438724 889042018 /nfs/dbraw/zinc/04/20/18/889042018.db2.gz PLXRRWNYWBERIM-DTWKUNHWSA-N 1 2 271.317 -1.411 20 0 CAADLO CNC(=O)C[N@@H+](C)CCNC(=O)[C@H]1C[C@H]1C(=O)OC ZINC001399438724 889042025 /nfs/dbraw/zinc/04/20/25/889042025.db2.gz PLXRRWNYWBERIM-DTWKUNHWSA-N 1 2 271.317 -1.411 20 0 CAADLO CO[C@H](C)C(=O)NCC[N@H+](C)Cc1nc(=O)n(C)[nH]1 ZINC001399440024 889042419 /nfs/dbraw/zinc/04/24/19/889042419.db2.gz QFVRMODLRCXGDH-MRVPVSSYSA-N 1 2 271.321 -1.309 20 0 CAADLO CO[C@H](C)C(=O)NCC[N@@H+](C)Cc1nc(=O)n(C)[nH]1 ZINC001399440024 889042428 /nfs/dbraw/zinc/04/24/28/889042428.db2.gz QFVRMODLRCXGDH-MRVPVSSYSA-N 1 2 271.321 -1.309 20 0 CAADLO CCN(C)C(=O)C[N@H+](C)CCNC(=O)CNC(C)=O ZINC001399440449 889043071 /nfs/dbraw/zinc/04/30/71/889043071.db2.gz ZRNWBNGTKPKHRP-UHFFFAOYSA-N 1 2 272.349 -1.351 20 0 CAADLO CCN(C)C(=O)C[N@@H+](C)CCNC(=O)CNC(C)=O ZINC001399440449 889043088 /nfs/dbraw/zinc/04/30/88/889043088.db2.gz ZRNWBNGTKPKHRP-UHFFFAOYSA-N 1 2 272.349 -1.351 20 0 CAADLO CN(C)C(=O)C[N@H+](C)CCNC(=O)CNC(=O)C1CC1 ZINC001399430250 889044370 /nfs/dbraw/zinc/04/43/70/889044370.db2.gz ACWLANXRAAVZRV-UHFFFAOYSA-N 1 2 284.360 -1.351 20 0 CAADLO Cn1cnn(CCC(=O)NCC[N@H+](C)CC(N)=O)c1=O ZINC001399546981 889046967 /nfs/dbraw/zinc/04/69/67/889046967.db2.gz YAFOLPZLAJLZFW-UHFFFAOYSA-N 1 2 284.320 -2.495 20 0 CAADLO Cn1cnn(CCC(=O)NCC[N@@H+](C)CC(N)=O)c1=O ZINC001399546981 889046975 /nfs/dbraw/zinc/04/69/75/889046975.db2.gz YAFOLPZLAJLZFW-UHFFFAOYSA-N 1 2 284.320 -2.495 20 0 CAADLO CNC(=O)C[N@H+](C)CCNC(=O)c1cnc(N(C)C)cn1 ZINC001399495963 889047072 /nfs/dbraw/zinc/04/70/72/889047072.db2.gz DBNDHJTVVPJQOC-UHFFFAOYSA-N 1 2 294.359 -1.050 20 0 CAADLO CNC(=O)C[N@@H+](C)CCNC(=O)c1cnc(N(C)C)cn1 ZINC001399495963 889047088 /nfs/dbraw/zinc/04/70/88/889047088.db2.gz DBNDHJTVVPJQOC-UHFFFAOYSA-N 1 2 294.359 -1.050 20 0 CAADLO C[N@H+](CCNC(=O)[C@H]1COC(=O)N1)CC(=O)NC1CC1 ZINC001399480710 889047818 /nfs/dbraw/zinc/04/78/18/889047818.db2.gz DGVSYJKDZYFNBV-SECBINFHSA-N 1 2 284.316 -1.579 20 0 CAADLO C[N@@H+](CCNC(=O)[C@H]1COC(=O)N1)CC(=O)NC1CC1 ZINC001399480710 889047829 /nfs/dbraw/zinc/04/78/29/889047829.db2.gz DGVSYJKDZYFNBV-SECBINFHSA-N 1 2 284.316 -1.579 20 0 CAADLO CO[C@@H]1COCC[C@H]1CC(=O)NCC[N@@H+](C)CC(N)=O ZINC001399490297 889048623 /nfs/dbraw/zinc/04/86/23/889048623.db2.gz MKNKHUCAMRWPDG-WDEREUQCSA-N 1 2 287.360 -1.039 20 0 CAADLO CO[C@@H]1COCC[C@H]1CC(=O)NCC[N@H+](C)CC(N)=O ZINC001399490297 889048616 /nfs/dbraw/zinc/04/86/16/889048616.db2.gz MKNKHUCAMRWPDG-WDEREUQCSA-N 1 2 287.360 -1.039 20 0 CAADLO CCN(CC)C(=O)C[N@H+](C)CCNC(=O)Cn1ncnn1 ZINC001399483304 889048170 /nfs/dbraw/zinc/04/81/70/889048170.db2.gz KDZYZNDRMJTQIW-UHFFFAOYSA-N 1 2 297.363 -1.411 20 0 CAADLO CCN(CC)C(=O)C[N@@H+](C)CCNC(=O)Cn1ncnn1 ZINC001399483304 889048187 /nfs/dbraw/zinc/04/81/87/889048187.db2.gz KDZYZNDRMJTQIW-UHFFFAOYSA-N 1 2 297.363 -1.411 20 0 CAADLO Cn1cc(C(=O)NCC[N@H+](C)CC(=O)N2CCC2)nn1 ZINC001399488753 889048536 /nfs/dbraw/zinc/04/85/36/889048536.db2.gz PYLCEVGFXHODSB-UHFFFAOYSA-N 1 2 280.332 -1.291 20 0 CAADLO Cn1cc(C(=O)NCC[N@@H+](C)CC(=O)N2CCC2)nn1 ZINC001399488753 889048544 /nfs/dbraw/zinc/04/85/44/889048544.db2.gz PYLCEVGFXHODSB-UHFFFAOYSA-N 1 2 280.332 -1.291 20 0 CAADLO C[N@H+](CCNC(=O)[C@H]1COC(=O)N1)CC(=O)NCC1CC1 ZINC001399482820 889048784 /nfs/dbraw/zinc/04/87/84/889048784.db2.gz JCBBLZCMQFDDQW-SNVBAGLBSA-N 1 2 298.343 -1.331 20 0 CAADLO C[N@@H+](CCNC(=O)[C@H]1COC(=O)N1)CC(=O)NCC1CC1 ZINC001399482820 889048797 /nfs/dbraw/zinc/04/87/97/889048797.db2.gz JCBBLZCMQFDDQW-SNVBAGLBSA-N 1 2 298.343 -1.331 20 0 CAADLO C[C@H](CC(=O)NCC[N@H+](C)CC(=O)NC1CC1)NC(N)=O ZINC001399498070 889049272 /nfs/dbraw/zinc/04/92/72/889049272.db2.gz OENJWXPEONRCMQ-SECBINFHSA-N 1 2 299.375 -1.240 20 0 CAADLO C[C@H](CC(=O)NCC[N@@H+](C)CC(=O)NC1CC1)NC(N)=O ZINC001399498070 889049286 /nfs/dbraw/zinc/04/92/86/889049286.db2.gz OENJWXPEONRCMQ-SECBINFHSA-N 1 2 299.375 -1.240 20 0 CAADLO CNC(=O)C[N@H+](C)CCNC(=O)[C@H]1CC(=O)N(C)C1 ZINC001399490246 889049321 /nfs/dbraw/zinc/04/93/21/889049321.db2.gz RLZPDOKKYQNKON-VIFPVBQESA-N 1 2 270.333 -1.741 20 0 CAADLO CNC(=O)C[N@@H+](C)CCNC(=O)[C@H]1CC(=O)N(C)C1 ZINC001399490246 889049332 /nfs/dbraw/zinc/04/93/32/889049332.db2.gz RLZPDOKKYQNKON-VIFPVBQESA-N 1 2 270.333 -1.741 20 0 CAADLO C[N@H+](CCNC(=O)c1cc2n(n1)CCCO2)CC(N)=O ZINC001399535929 889049995 /nfs/dbraw/zinc/04/99/95/889049995.db2.gz SVPKTUMOUWFVAJ-UHFFFAOYSA-N 1 2 281.316 -1.188 20 0 CAADLO C[N@@H+](CCNC(=O)c1cc2n(n1)CCCO2)CC(N)=O ZINC001399535929 889050008 /nfs/dbraw/zinc/05/00/08/889050008.db2.gz SVPKTUMOUWFVAJ-UHFFFAOYSA-N 1 2 281.316 -1.188 20 0 CAADLO Cc1nnc(CC(=O)NCC[N@@H+](C)CC(=O)N2CCC2)[nH]1 ZINC001399493506 889050524 /nfs/dbraw/zinc/05/05/24/889050524.db2.gz XJVPTAPTVJRNAM-UHFFFAOYSA-N 1 2 294.359 -1.064 20 0 CAADLO Cc1nnc(CC(=O)NCC[N@H+](C)CC(=O)N2CCC2)[nH]1 ZINC001399493506 889050534 /nfs/dbraw/zinc/05/05/34/889050534.db2.gz XJVPTAPTVJRNAM-UHFFFAOYSA-N 1 2 294.359 -1.064 20 0 CAADLO CO[C@H]1COCC[C@@H]1CC(=O)NCC[N@H+](C)CC(N)=O ZINC001399490292 889051136 /nfs/dbraw/zinc/05/11/36/889051136.db2.gz MKNKHUCAMRWPDG-MNOVXSKESA-N 1 2 287.360 -1.039 20 0 CAADLO CO[C@H]1COCC[C@@H]1CC(=O)NCC[N@@H+](C)CC(N)=O ZINC001399490292 889051146 /nfs/dbraw/zinc/05/11/46/889051146.db2.gz MKNKHUCAMRWPDG-MNOVXSKESA-N 1 2 287.360 -1.039 20 0 CAADLO CNC(=O)C[N@H+](C)CCNC(=O)CCc1cnn(C)n1 ZINC001399575293 889053312 /nfs/dbraw/zinc/05/33/12/889053312.db2.gz KQSWTPUOLARYCA-UHFFFAOYSA-N 1 2 282.348 -1.458 20 0 CAADLO CNC(=O)C[N@@H+](C)CCNC(=O)CCc1cnn(C)n1 ZINC001399575293 889053325 /nfs/dbraw/zinc/05/33/25/889053325.db2.gz KQSWTPUOLARYCA-UHFFFAOYSA-N 1 2 282.348 -1.458 20 0 CAADLO CCNC(=O)C[N@H+](C)CCNC(=O)C[C@@H]1CCC(=O)N1 ZINC001399607943 889053413 /nfs/dbraw/zinc/05/34/13/889053413.db2.gz XHVRPUWDKFKBKF-JTQLQIEISA-N 1 2 284.360 -1.161 20 0 CAADLO CCNC(=O)C[N@@H+](C)CCNC(=O)C[C@@H]1CCC(=O)N1 ZINC001399607943 889053424 /nfs/dbraw/zinc/05/34/24/889053424.db2.gz XHVRPUWDKFKBKF-JTQLQIEISA-N 1 2 284.360 -1.161 20 0 CAADLO C[N@H+](CCNC(=O)[C@H]1CNC(=O)N1)CC(=O)N1CCCC1 ZINC001399574531 889054357 /nfs/dbraw/zinc/05/43/57/889054357.db2.gz VSBFNPAKJQXIIF-SNVBAGLBSA-N 1 2 297.359 -1.662 20 0 CAADLO C[N@@H+](CCNC(=O)[C@H]1CNC(=O)N1)CC(=O)N1CCCC1 ZINC001399574531 889054366 /nfs/dbraw/zinc/05/43/66/889054366.db2.gz VSBFNPAKJQXIIF-SNVBAGLBSA-N 1 2 297.359 -1.662 20 0 CAADLO CN1C[C@H](C(=O)NCC[N@H+](C)CC(=O)N2CCC2)NC1=O ZINC001399561495 889055256 /nfs/dbraw/zinc/05/52/56/889055256.db2.gz SAFZJJGAYIKDKP-SNVBAGLBSA-N 1 2 297.359 -1.710 20 0 CAADLO CN1C[C@H](C(=O)NCC[N@@H+](C)CC(=O)N2CCC2)NC1=O ZINC001399561495 889055275 /nfs/dbraw/zinc/05/52/75/889055275.db2.gz SAFZJJGAYIKDKP-SNVBAGLBSA-N 1 2 297.359 -1.710 20 0 CAADLO CC(C)N(C)C(=O)C[N@H+](C)CCNC(=O)[C@H]1CNC(=O)N1 ZINC001399566580 889055616 /nfs/dbraw/zinc/05/56/16/889055616.db2.gz FKGNMVWFKMUEGF-SNVBAGLBSA-N 1 2 299.375 -1.417 20 0 CAADLO CC(C)N(C)C(=O)C[N@@H+](C)CCNC(=O)[C@H]1CNC(=O)N1 ZINC001399566580 889055632 /nfs/dbraw/zinc/05/56/32/889055632.db2.gz FKGNMVWFKMUEGF-SNVBAGLBSA-N 1 2 299.375 -1.417 20 0 CAADLO Cn1cncc1C[N@H+](C)CCNC(=O)[C@H]1CNC(=O)N1 ZINC001399569372 889056741 /nfs/dbraw/zinc/05/67/41/889056741.db2.gz KLYMHJLQLJZBEG-SNVBAGLBSA-N 1 2 280.332 -1.351 20 0 CAADLO Cn1cncc1C[N@@H+](C)CCNC(=O)[C@H]1CNC(=O)N1 ZINC001399569372 889056755 /nfs/dbraw/zinc/05/67/55/889056755.db2.gz KLYMHJLQLJZBEG-SNVBAGLBSA-N 1 2 280.332 -1.351 20 0 CAADLO Cn1nnc(C(=O)NCC[N@H+](C)CC(=O)NCC2CC2)n1 ZINC001399573630 889056785 /nfs/dbraw/zinc/05/67/85/889056785.db2.gz YFZROZUISNDDSK-UHFFFAOYSA-N 1 2 295.347 -1.602 20 0 CAADLO Cn1nnc(C(=O)NCC[N@@H+](C)CC(=O)NCC2CC2)n1 ZINC001399573630 889056796 /nfs/dbraw/zinc/05/67/96/889056796.db2.gz YFZROZUISNDDSK-UHFFFAOYSA-N 1 2 295.347 -1.602 20 0 CAADLO COCCC(=O)NC[C@H](O)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001399741520 889060363 /nfs/dbraw/zinc/06/03/63/889060363.db2.gz HTGRYYPIYSYNHA-JTQLQIEISA-N 1 2 284.316 -1.418 20 0 CAADLO O=C(Cn1cc[nH+]c1)NC[C@H](O)CNC(=O)C(F)F ZINC001399756391 889062068 /nfs/dbraw/zinc/06/20/68/889062068.db2.gz SZYWTGRBWPTGNC-ZETCQYMHSA-N 1 2 276.243 -1.259 20 0 CAADLO O=C(Cn1cc[nH+]c1)NC[C@@H](O)CNC(=O)C(F)F ZINC001399756386 889063630 /nfs/dbraw/zinc/06/36/30/889063630.db2.gz SZYWTGRBWPTGNC-SSDOTTSWSA-N 1 2 276.243 -1.259 20 0 CAADLO COCC(=O)NC[C@@H](O)CNC(=O)Cn1cc[nH+]c1 ZINC001399758809 889064388 /nfs/dbraw/zinc/06/43/88/889064388.db2.gz JFGVBIWWURMDMR-VIFPVBQESA-N 1 2 270.289 -1.877 20 0 CAADLO CO[C@@H](C)C(=O)NC[C@@H](O)CNC(=O)Cn1cc[nH+]c1 ZINC001399788468 889068412 /nfs/dbraw/zinc/06/84/12/889068412.db2.gz HCYBJGKDRANEGN-UWVGGRQHSA-N 1 2 284.316 -1.489 20 0 CAADLO O=C(Cn1cc[nH+]c1)NC[C@H](O)CNC(=O)[C@@H]1CCOC1 ZINC001399807197 889069238 /nfs/dbraw/zinc/06/92/38/889069238.db2.gz RPDHAVYJYRWYPD-MNOVXSKESA-N 1 2 296.327 -1.487 20 0 CAADLO O=C(Cn1cc[nH+]c1)NC[C@@H](O)CNC(=O)[C@@H]1CCOC1 ZINC001399807194 889070127 /nfs/dbraw/zinc/07/01/27/889070127.db2.gz RPDHAVYJYRWYPD-GHMZBOCLSA-N 1 2 296.327 -1.487 20 0 CAADLO CO[C@H](C)C(=O)NC[C@@H](O)CNC(=O)Cn1cc[nH+]c1 ZINC001399788471 889070454 /nfs/dbraw/zinc/07/04/54/889070454.db2.gz HCYBJGKDRANEGN-ZJUUUORDSA-N 1 2 284.316 -1.489 20 0 CAADLO O=C(NCC[N@H+](C1CC1)[C@H]1CCNC1=O)c1cn[nH]n1 ZINC001399997205 889080098 /nfs/dbraw/zinc/08/00/98/889080098.db2.gz HKDPVRYLYLMTOG-JTQLQIEISA-N 1 2 278.316 -1.113 20 0 CAADLO O=C(NCC[N@@H+](C1CC1)[C@H]1CCNC1=O)c1cn[nH]n1 ZINC001399997205 889080114 /nfs/dbraw/zinc/08/01/14/889080114.db2.gz HKDPVRYLYLMTOG-JTQLQIEISA-N 1 2 278.316 -1.113 20 0 CAADLO O=C(NCC[N@H+](C1CC1)[C@H]1CCNC1=O)c1cnn[nH]1 ZINC001399997205 889080125 /nfs/dbraw/zinc/08/01/25/889080125.db2.gz HKDPVRYLYLMTOG-JTQLQIEISA-N 1 2 278.316 -1.113 20 0 CAADLO O=C(NCC[N@@H+](C1CC1)[C@H]1CCNC1=O)c1cnn[nH]1 ZINC001399997205 889080130 /nfs/dbraw/zinc/08/01/30/889080130.db2.gz HKDPVRYLYLMTOG-JTQLQIEISA-N 1 2 278.316 -1.113 20 0 CAADLO CC(=O)NCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H](C)C(N)=O ZINC001400095529 889090952 /nfs/dbraw/zinc/09/09/52/889090952.db2.gz GSONDVXORDJQFO-INTQDDNPSA-N 1 2 282.344 -1.329 20 0 CAADLO CC(=O)NCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H](C)C(N)=O ZINC001400095529 889090963 /nfs/dbraw/zinc/09/09/63/889090963.db2.gz GSONDVXORDJQFO-INTQDDNPSA-N 1 2 282.344 -1.329 20 0 CAADLO C[C@H](CNC(=O)Cn1cnnn1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001400071980 889091494 /nfs/dbraw/zinc/09/14/94/889091494.db2.gz ZHAPJJAQRPPIAN-MRVPVSSYSA-N 1 2 292.303 -1.740 20 0 CAADLO CC(=O)NCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC001400100638 889091718 /nfs/dbraw/zinc/09/17/18/889091718.db2.gz PHCNEDGRJHTNKQ-TXEJJXNPSA-N 1 2 296.371 -1.114 20 0 CAADLO CC(=O)NCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC001400100638 889091730 /nfs/dbraw/zinc/09/17/30/889091730.db2.gz PHCNEDGRJHTNKQ-TXEJJXNPSA-N 1 2 296.371 -1.114 20 0 CAADLO CCCN(C(=O)Cn1ncnn1)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001400125468 889092246 /nfs/dbraw/zinc/09/22/46/889092246.db2.gz BZGUPMQPOCOVKW-JTQLQIEISA-N 1 2 295.347 -1.529 20 0 CAADLO CCCN(C(=O)Cn1ncnn1)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001400125468 889092260 /nfs/dbraw/zinc/09/22/60/889092260.db2.gz BZGUPMQPOCOVKW-JTQLQIEISA-N 1 2 295.347 -1.529 20 0 CAADLO C[C@H](CNC(=O)[C@H]1COCCO1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001400067553 889092952 /nfs/dbraw/zinc/09/29/52/889092952.db2.gz BITMYWVCWHLUPD-NXEZZACHSA-N 1 2 296.327 -1.012 20 0 CAADLO CN(CCN1CC[NH+](CCF)CC1)C(=O)c1nnn(C)n1 ZINC001400200189 889095935 /nfs/dbraw/zinc/09/59/35/889095935.db2.gz LKOODFYXWLGVLN-UHFFFAOYSA-N 1 2 299.354 -1.131 20 0 CAADLO C[C@@H](CNC(=O)[C@H]1COCCO1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001400282972 889097246 /nfs/dbraw/zinc/09/72/46/889097246.db2.gz BITMYWVCWHLUPD-VHSXEESVSA-N 1 2 296.327 -1.012 20 0 CAADLO COC[C@H](O)C[NH+]1CC(NC(=O)[C@H]2CCNC(=O)C2)C1 ZINC001400338722 889101206 /nfs/dbraw/zinc/10/12/06/889101206.db2.gz XXWGBWIQJREYGL-GXSJLCMTSA-N 1 2 285.344 -1.680 20 0 CAADLO COC[C@H](O)C[NH+]1CC(NC(=O)[C@@H]2CCNC(=O)C2)C1 ZINC001400338728 889101288 /nfs/dbraw/zinc/10/12/88/889101288.db2.gz XXWGBWIQJREYGL-MWLCHTKSSA-N 1 2 285.344 -1.680 20 0 CAADLO C[C@H](O)C[NH+]1CC(NC(=O)CC[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001400382311 889102000 /nfs/dbraw/zinc/10/20/00/889102000.db2.gz SJDPAUOQEHQGFA-WCQGTBRESA-N 1 2 299.371 -1.019 20 0 CAADLO CS(=O)(=O)NCCC(=O)NC1C[NH+](CCCO)C1 ZINC001400359197 889102476 /nfs/dbraw/zinc/10/24/76/889102476.db2.gz ZSKMGPVPXJWMJX-UHFFFAOYSA-N 1 2 279.362 -1.892 20 0 CAADLO COCC[NH+]1CC(NC(=O)CCNS(C)(=O)=O)C1 ZINC001400348283 889102735 /nfs/dbraw/zinc/10/27/35/889102735.db2.gz HZYXKZOKZIFFJG-UHFFFAOYSA-N 1 2 279.362 -1.628 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(NC(=O)Cc2cncn2C)C1 ZINC001400421979 889105034 /nfs/dbraw/zinc/10/50/34/889105034.db2.gz NXNWYKDXIWHDQQ-LBPRGKRZSA-N 1 2 282.344 -1.230 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(NC(=O)CCNC(N)=O)C1 ZINC001400434385 889105127 /nfs/dbraw/zinc/10/51/27/889105127.db2.gz REUSNFHLDHXESL-VIFPVBQESA-N 1 2 274.321 -2.148 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(NC(=O)CCCn2cncn2)C1 ZINC001400417924 889105220 /nfs/dbraw/zinc/10/52/20/889105220.db2.gz QFPWLVLLBOJSNW-LBPRGKRZSA-N 1 2 297.359 -1.134 20 0 CAADLO COC[C@H](O)C[NH+]1CC(NC(=O)c2ccc(C(N)=O)[nH]2)C1 ZINC001400423444 889105641 /nfs/dbraw/zinc/10/56/41/889105641.db2.gz OVOIAJNBXAHFHP-SECBINFHSA-N 1 2 296.327 -1.465 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(NC(=O)[C@@]2(F)CCOC2)C1 ZINC001400402912 889105648 /nfs/dbraw/zinc/10/56/48/889105648.db2.gz XMNOWTQWGVHSTJ-CMPLNLGQSA-N 1 2 276.308 -1.077 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(NC(=O)[C@]2(F)CCOC2)C1 ZINC001400402914 889105696 /nfs/dbraw/zinc/10/56/96/889105696.db2.gz XMNOWTQWGVHSTJ-JQWIXIFHSA-N 1 2 276.308 -1.077 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(NC(=O)C(C)(C)NC(C)=O)C1 ZINC001400409223 889105819 /nfs/dbraw/zinc/10/58/19/889105819.db2.gz KLWZOTNAKAZYKQ-NSHDSACASA-N 1 2 287.360 -1.291 20 0 CAADLO C[C@@H](C(N)=O)[NH+]1CC(CNC(=O)CN(C)C(=O)C2CC2)C1 ZINC001400476087 889107100 /nfs/dbraw/zinc/10/71/00/889107100.db2.gz YXIJODOXLMBYGI-VIFPVBQESA-N 1 2 296.371 -1.223 20 0 CAADLO CC(C)NC(=O)C[NH+]1CC(CNC(=O)[C@H](C)NC(N)=O)C1 ZINC001400473114 889107117 /nfs/dbraw/zinc/10/71/17/889107117.db2.gz GTRQPPLZXHPCSL-VIFPVBQESA-N 1 2 299.375 -1.384 20 0 CAADLO O=C(C[C@@H]1COC(=O)C1)NCC1C[NH+]([C@@H]2CCNC2=O)C1 ZINC001400466635 889107229 /nfs/dbraw/zinc/10/72/29/889107229.db2.gz LYPMHBPCADQDNP-GXSJLCMTSA-N 1 2 295.339 -1.124 20 0 CAADLO CCC(=O)N[C@@H](C)C(=O)NCC1C[NH+]([C@@H]2CCNC2=O)C1 ZINC001400478219 889107260 /nfs/dbraw/zinc/10/72/60/889107260.db2.gz UJSPWGZOKDRWPY-GXSJLCMTSA-N 1 2 296.371 -1.162 20 0 CAADLO O=C(C[C@H]1COC(=O)C1)NCC1C[NH+]([C@H]2CCNC2=O)C1 ZINC001400466639 889107317 /nfs/dbraw/zinc/10/73/17/889107317.db2.gz LYPMHBPCADQDNP-KOLCDFICSA-N 1 2 295.339 -1.124 20 0 CAADLO CCO[C@@H](C)C(=O)NCC1C[NH+](CC(=O)NC(N)=O)C1 ZINC001400463332 889107367 /nfs/dbraw/zinc/10/73/67/889107367.db2.gz JYYKOPLRYFLYGH-QMMMGPOBSA-N 1 2 286.332 -1.346 20 0 CAADLO NC(=O)NCC(=O)N1CC[C@@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001400440207 889107383 /nfs/dbraw/zinc/10/73/83/889107383.db2.gz FRWODGDWKSVGPK-SECBINFHSA-N 1 2 294.315 -1.732 20 0 CAADLO O=C(C[C@H]1COC(=O)C1)NCC1C[NH+]([C@@H]2CCNC2=O)C1 ZINC001400466643 889107511 /nfs/dbraw/zinc/10/75/11/889107511.db2.gz LYPMHBPCADQDNP-MWLCHTKSSA-N 1 2 295.339 -1.124 20 0 CAADLO C[C@H](C(N)=O)[NH+]1CC(CNC(=O)CN(C)C(=O)C2CC2)C1 ZINC001400476072 889107562 /nfs/dbraw/zinc/10/75/62/889107562.db2.gz YXIJODOXLMBYGI-SECBINFHSA-N 1 2 296.371 -1.223 20 0 CAADLO CCC(=O)N[C@H](C)C(=O)NCC1C[NH+]([C@H]2CCNC2=O)C1 ZINC001400478231 889107618 /nfs/dbraw/zinc/10/76/18/889107618.db2.gz UJSPWGZOKDRWPY-KOLCDFICSA-N 1 2 296.371 -1.162 20 0 CAADLO CN(C)C(=O)C[NH+]1CC(CNC(=O)CCc2nnc[nH]2)C1 ZINC001400468493 889107749 /nfs/dbraw/zinc/10/77/49/889107749.db2.gz OMWMNHRYWJJRJX-UHFFFAOYSA-N 1 2 294.359 -1.127 20 0 CAADLO O=C(CO[C@@H]1CCOC1)NCC1C[NH+]([C@H]2CCNC2=O)C1 ZINC001400470853 889107766 /nfs/dbraw/zinc/10/77/66/889107766.db2.gz LSSARQNKJIIGFH-NEPJUHHUSA-N 1 2 297.355 -1.272 20 0 CAADLO CCNC(=O)C[NH+]1CC(CNC(=O)CO[C@@H]2CCOC2)C1 ZINC001400468009 889107947 /nfs/dbraw/zinc/10/79/47/889107947.db2.gz HYIAPRVEOIYRKB-GFCCVEGCSA-N 1 2 299.371 -1.024 20 0 CAADLO CCC(=O)NCC(=O)NCC1C[NH+](CC(=O)NC2CC2)C1 ZINC001400481481 889108254 /nfs/dbraw/zinc/10/82/54/889108254.db2.gz YFOADELDNUXONH-UHFFFAOYSA-N 1 2 296.371 -1.161 20 0 CAADLO COC(=O)NCC(=O)NCC1C[NH+]([C@H](C)C(N)=O)C1 ZINC001400461987 889108605 /nfs/dbraw/zinc/10/86/05/889108605.db2.gz KOCGURHPPXFBNI-SSDOTTSWSA-N 1 2 272.305 -1.736 20 0 CAADLO C[C@@]1(CCC(=O)NCC2C[NH+](CC(N)=O)C2)CCC(=O)N1 ZINC001400568625 889110373 /nfs/dbraw/zinc/11/03/73/889110373.db2.gz FQTOWKDCWWBCKK-CQSZACIVSA-N 1 2 296.371 -1.031 20 0 CAADLO CC(=O)N(C)CC(=O)NCC1C[NH+](CC(=O)N2CCC2)C1 ZINC001400488189 889110486 /nfs/dbraw/zinc/11/04/86/889110486.db2.gz PFJBNNPTYKWGOH-UHFFFAOYSA-N 1 2 296.371 -1.255 20 0 CAADLO Cn1nnc(CN2CC(CNC(=O)Cc3c[nH]c[nH+]3)C2)n1 ZINC001400521852 889110656 /nfs/dbraw/zinc/11/06/56/889110656.db2.gz UJNCXXRGAOZXPK-UHFFFAOYSA-N 1 2 290.331 -1.276 20 0 CAADLO NC(=O)NC(=O)C[NH+]1CC(CNC(=O)c2cccnn2)C1 ZINC001400528222 889111185 /nfs/dbraw/zinc/11/11/85/889111185.db2.gz FXHTZCSLVPRMIP-UHFFFAOYSA-N 1 2 292.299 -1.667 20 0 CAADLO CCNC(=O)C[NH+]1CC(CNC(=O)CCNC(N)=O)C1 ZINC001400571898 889111290 /nfs/dbraw/zinc/11/12/90/889111290.db2.gz HXJAQWUCUHMQRH-UHFFFAOYSA-N 1 2 285.348 -1.771 20 0 CAADLO O=C(Cc1c[nH]cn1)NCC1C[NH+]([C@@H]2CCNC2=O)C1 ZINC001400516932 889111557 /nfs/dbraw/zinc/11/15/57/889111557.db2.gz HGERIFXLWQZGMI-LLVKDONJSA-N 1 2 277.328 -1.111 20 0 CAADLO C[C@@H](C(N)=O)[NH+]1CC(CNC(=O)C[C@H]2CCCC(=O)N2)C1 ZINC001400518014 889111711 /nfs/dbraw/zinc/11/17/11/889111711.db2.gz ZJDOQXDTDMGPGS-GXSJLCMTSA-N 1 2 296.371 -1.033 20 0 CAADLO Cn1ccc(C(=O)NCC2C[NH+](CC(=O)NC(N)=O)C2)n1 ZINC001400559142 889112013 /nfs/dbraw/zinc/11/20/13/889112013.db2.gz BHUOXCMHUCIJAR-UHFFFAOYSA-N 1 2 294.315 -1.723 20 0 CAADLO CC[C@@H](C(N)=O)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCNC(N)=O ZINC001400591957 889113727 /nfs/dbraw/zinc/11/37/27/889113727.db2.gz PZJTZQZRTAQPIK-GUBZILKMSA-N 1 2 297.359 -1.406 20 0 CAADLO CC[C@@H](C(N)=O)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCNC(N)=O ZINC001400591957 889113731 /nfs/dbraw/zinc/11/37/31/889113731.db2.gz PZJTZQZRTAQPIK-GUBZILKMSA-N 1 2 297.359 -1.406 20 0 CAADLO CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2COCCO2)C1 ZINC001400641571 889113963 /nfs/dbraw/zinc/11/39/63/889113963.db2.gz ZGHOGHUNPKNYBX-GHMZBOCLSA-N 1 2 285.344 -1.272 20 0 CAADLO CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@H]2COCCO2)C1 ZINC001400641571 889113967 /nfs/dbraw/zinc/11/39/67/889113967.db2.gz ZGHOGHUNPKNYBX-GHMZBOCLSA-N 1 2 285.344 -1.272 20 0 CAADLO CNC(=O)C[NH+]1CC(CNC(=O)CCNC(N)=O)C1 ZINC001400584001 889114453 /nfs/dbraw/zinc/11/44/53/889114453.db2.gz ZXXOJLSRQRENFW-UHFFFAOYSA-N 1 2 271.321 -2.161 20 0 CAADLO NC(=O)NC(=O)C[N@@H+]1CC[C@H](NC(=O)Cn2cncn2)C1 ZINC001400625800 889114759 /nfs/dbraw/zinc/11/47/59/889114759.db2.gz ALNMEOAAUUKTDQ-QMMMGPOBSA-N 1 2 295.303 -2.337 20 0 CAADLO NC(=O)NC(=O)C[N@H+]1CC[C@H](NC(=O)Cn2cncn2)C1 ZINC001400625800 889114766 /nfs/dbraw/zinc/11/47/66/889114766.db2.gz ALNMEOAAUUKTDQ-QMMMGPOBSA-N 1 2 295.303 -2.337 20 0 CAADLO NC(=O)NC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cccnn2)C1 ZINC001400630220 889114976 /nfs/dbraw/zinc/11/49/76/889114976.db2.gz LOOHNNUHKLWKAU-QMMMGPOBSA-N 1 2 292.299 -1.524 20 0 CAADLO NC(=O)NC(=O)C[N@H+]1CC[C@H](NC(=O)c2cccnn2)C1 ZINC001400630220 889114985 /nfs/dbraw/zinc/11/49/85/889114985.db2.gz LOOHNNUHKLWKAU-QMMMGPOBSA-N 1 2 292.299 -1.524 20 0 CAADLO CCCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2COC(=O)N2)C1 ZINC001400656008 889115513 /nfs/dbraw/zinc/11/55/13/889115513.db2.gz WSGVDFLHJNWSIY-ZJUUUORDSA-N 1 2 298.343 -1.189 20 0 CAADLO CCCNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2COC(=O)N2)C1 ZINC001400656008 889115519 /nfs/dbraw/zinc/11/55/19/889115519.db2.gz WSGVDFLHJNWSIY-ZJUUUORDSA-N 1 2 298.343 -1.189 20 0 CAADLO CNC(=O)NC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCO2)C1 ZINC001400647392 889115710 /nfs/dbraw/zinc/11/57/10/889115710.db2.gz BYHGGUIQUIABEN-NXEZZACHSA-N 1 2 298.343 -1.189 20 0 CAADLO CNC(=O)NC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CCCO2)C1 ZINC001400647392 889115721 /nfs/dbraw/zinc/11/57/21/889115721.db2.gz BYHGGUIQUIABEN-NXEZZACHSA-N 1 2 298.343 -1.189 20 0 CAADLO COC(=O)NCC(=O)N[C@@H]1CC[N@H+](Cc2cnnn2C)C1 ZINC001400648337 889115829 /nfs/dbraw/zinc/11/58/29/889115829.db2.gz PMBLBYJDBGFPBU-SECBINFHSA-N 1 2 296.331 -1.138 20 0 CAADLO COC(=O)NCC(=O)N[C@@H]1CC[N@@H+](Cc2cnnn2C)C1 ZINC001400648337 889115839 /nfs/dbraw/zinc/11/58/39/889115839.db2.gz PMBLBYJDBGFPBU-SECBINFHSA-N 1 2 296.331 -1.138 20 0 CAADLO CN(C(=O)c1cn[nH]c1)[C@@H]1CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001400702631 889117491 /nfs/dbraw/zinc/11/74/91/889117491.db2.gz NRMCUFMKPQTNRK-SECBINFHSA-N 1 2 294.315 -1.249 20 0 CAADLO CN(C(=O)c1cn[nH]c1)[C@@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001400702631 889117502 /nfs/dbraw/zinc/11/75/02/889117502.db2.gz NRMCUFMKPQTNRK-SECBINFHSA-N 1 2 294.315 -1.249 20 0 CAADLO CCNC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)c2nnn(C)n2)C1 ZINC001400720097 889117858 /nfs/dbraw/zinc/11/78/58/889117858.db2.gz KPXBMOJZRGJWNJ-VIFPVBQESA-N 1 2 295.347 -1.508 20 0 CAADLO CCNC(=O)C[N@H+]1CC[C@H](N(C)C(=O)c2nnn(C)n2)C1 ZINC001400720097 889117873 /nfs/dbraw/zinc/11/78/73/889117873.db2.gz KPXBMOJZRGJWNJ-VIFPVBQESA-N 1 2 295.347 -1.508 20 0 CAADLO CN(C(=O)C(F)F)[C@H]1CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001400693028 889118559 /nfs/dbraw/zinc/11/85/59/889118559.db2.gz VZHALNQNAORFFP-LURJTMIESA-N 1 2 278.259 -1.021 20 0 CAADLO CN(C(=O)C(F)F)[C@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001400693028 889118565 /nfs/dbraw/zinc/11/85/65/889118565.db2.gz VZHALNQNAORFFP-LURJTMIESA-N 1 2 278.259 -1.021 20 0 CAADLO CCNC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)c2nnn(C)n2)C1 ZINC001400720090 889118729 /nfs/dbraw/zinc/11/87/29/889118729.db2.gz KPXBMOJZRGJWNJ-SECBINFHSA-N 1 2 295.347 -1.508 20 0 CAADLO CCNC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)c2nnn(C)n2)C1 ZINC001400720090 889118736 /nfs/dbraw/zinc/11/87/36/889118736.db2.gz KPXBMOJZRGJWNJ-SECBINFHSA-N 1 2 295.347 -1.508 20 0 CAADLO C[C@@H](CNC(=O)c1cn[nH]n1)C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001401119950 889127876 /nfs/dbraw/zinc/12/78/76/889127876.db2.gz UFEUMYBSLVEZNA-SSDOTTSWSA-N 1 2 294.319 -1.618 20 0 CAADLO C[C@@H](CNC(=O)c1cnn[nH]1)C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001401119950 889127883 /nfs/dbraw/zinc/12/78/83/889127883.db2.gz UFEUMYBSLVEZNA-SSDOTTSWSA-N 1 2 294.319 -1.618 20 0 CAADLO CCNC(=O)C[N@H+](C)CCN(C)C(=O)[C@H]1COC(=O)N1 ZINC001401371229 889134939 /nfs/dbraw/zinc/13/49/39/889134939.db2.gz ZOCQYOVATAYQQO-SECBINFHSA-N 1 2 286.332 -1.379 20 0 CAADLO CN(CC[N@H+](C)CC(=O)NC(N)=O)C(=O)Cc1nnc[nH]1 ZINC001401423857 889136435 /nfs/dbraw/zinc/13/64/35/889136435.db2.gz RAWDZAWTNIVBPQ-UHFFFAOYSA-N 1 2 297.319 -2.068 20 0 CAADLO CN(CC[N@@H+](C)CC(=O)NC(N)=O)C(=O)Cc1nnc[nH]1 ZINC001401423857 889136442 /nfs/dbraw/zinc/13/64/42/889136442.db2.gz RAWDZAWTNIVBPQ-UHFFFAOYSA-N 1 2 297.319 -2.068 20 0 CAADLO CNC(=O)C[N@H+](C)CCN(C)C(=O)CCCC(N)=O ZINC001401438008 889136759 /nfs/dbraw/zinc/13/67/59/889136759.db2.gz PEUJQPPPQNKTEY-UHFFFAOYSA-N 1 2 272.349 -1.222 20 0 CAADLO CNC(=O)C[N@@H+](C)CCN(C)C(=O)CCCC(N)=O ZINC001401438008 889136765 /nfs/dbraw/zinc/13/67/65/889136765.db2.gz PEUJQPPPQNKTEY-UHFFFAOYSA-N 1 2 272.349 -1.222 20 0 CAADLO CCNC(=O)C[N@H+](C)CCN(C)C(=O)CNC(C)=O ZINC001401350737 889136788 /nfs/dbraw/zinc/13/67/88/889136788.db2.gz RHLWKNYJMNSGOW-UHFFFAOYSA-N 1 2 272.349 -1.351 20 0 CAADLO CCNC(=O)C[N@@H+](C)CCN(C)C(=O)CNC(C)=O ZINC001401350737 889136792 /nfs/dbraw/zinc/13/67/92/889136792.db2.gz RHLWKNYJMNSGOW-UHFFFAOYSA-N 1 2 272.349 -1.351 20 0 CAADLO Cc1nnc(C[NH2+]C[C@H](O)CNC(=O)c2cn(C)nn2)o1 ZINC001401498278 889146105 /nfs/dbraw/zinc/14/61/05/889146105.db2.gz BBAYQJRKPZLRGL-QMMMGPOBSA-N 1 2 295.303 -1.613 20 0 CAADLO CN(CC[N@H+](C)CC(N)=O)C(=O)[C@@H]1CCCC(=O)N1C ZINC001401520389 889150663 /nfs/dbraw/zinc/15/06/63/889150663.db2.gz DRJOMIXMTCZZIK-JTQLQIEISA-N 1 2 284.360 -1.127 20 0 CAADLO CN(CC[N@@H+](C)CC(N)=O)C(=O)[C@@H]1CCCC(=O)N1C ZINC001401520389 889150668 /nfs/dbraw/zinc/15/06/68/889150668.db2.gz DRJOMIXMTCZZIK-JTQLQIEISA-N 1 2 284.360 -1.127 20 0 CAADLO Cc1nn[nH]c1C(=O)NC[C@@H](O)C[NH2+]Cc1cnsn1 ZINC001401549975 889152875 /nfs/dbraw/zinc/15/28/75/889152875.db2.gz GWFXMCSRZNNLRG-QMMMGPOBSA-N 1 2 297.344 -1.155 20 0 CAADLO Cc1ccnc(C[NH2+]C[C@H](O)CNC(=O)c2cn[nH]n2)n1 ZINC001401567727 889159906 /nfs/dbraw/zinc/15/99/06/889159906.db2.gz RNLVNFYKRXXYIB-VIFPVBQESA-N 1 2 291.315 -1.216 20 0 CAADLO Cc1nnc(C[NH2+]C[C@@H](O)CNC(=O)c2cnon2)o1 ZINC001401569177 889161595 /nfs/dbraw/zinc/16/15/95/889161595.db2.gz BRYVPVVJBNRUFQ-SSDOTTSWSA-N 1 2 282.260 -1.358 20 0 CAADLO Cc1cc(C[NH2+]C[C@H](O)CNC(=O)c2nnc[nH]2)no1 ZINC001401577921 889163825 /nfs/dbraw/zinc/16/38/25/889163825.db2.gz KJOPDNDBPYRBGC-VIFPVBQESA-N 1 2 280.288 -1.018 20 0 CAADLO Cn1ccc(C[NH2+]C[C@@H](O)CNC(=O)c2ncn[nH]2)n1 ZINC001401576358 889164185 /nfs/dbraw/zinc/16/41/85/889164185.db2.gz IOTPPDHCPPHWHR-SECBINFHSA-N 1 2 279.304 -1.581 20 0 CAADLO Cn1ccc(C[NH2+]C[C@@H](O)CNC(=O)c2nc[nH]n2)n1 ZINC001401576358 889164190 /nfs/dbraw/zinc/16/41/90/889164190.db2.gz IOTPPDHCPPHWHR-SECBINFHSA-N 1 2 279.304 -1.581 20 0 CAADLO Cn1ccc(C[NH2+]C[C@H](O)CNC(=O)c2ncn[nH]2)n1 ZINC001401576361 889164675 /nfs/dbraw/zinc/16/46/75/889164675.db2.gz IOTPPDHCPPHWHR-VIFPVBQESA-N 1 2 279.304 -1.581 20 0 CAADLO Cn1ccc(C[NH2+]C[C@H](O)CNC(=O)c2nc[nH]n2)n1 ZINC001401576361 889164684 /nfs/dbraw/zinc/16/46/84/889164684.db2.gz IOTPPDHCPPHWHR-VIFPVBQESA-N 1 2 279.304 -1.581 20 0 CAADLO O=C(NC[C@@H](O)C[NH2+]Cc1ncccn1)c1cn[nH]n1 ZINC001401577224 889165546 /nfs/dbraw/zinc/16/55/46/889165546.db2.gz YNXUPLMJJQQDHG-QMMMGPOBSA-N 1 2 277.288 -1.525 20 0 CAADLO Cn1cc(C[NH2+]C[C@H](O)CNC(=O)Cc2nnc[nH]2)nn1 ZINC001401631766 889170704 /nfs/dbraw/zinc/17/07/04/889170704.db2.gz ORBCWNZHPNOOCQ-VIFPVBQESA-N 1 2 294.319 -2.257 20 0 CAADLO Cn1cc(C[NH2+]C[C@@H](O)CNC(=O)Cc2nnc[nH]2)nn1 ZINC001401631764 889171354 /nfs/dbraw/zinc/17/13/54/889171354.db2.gz ORBCWNZHPNOOCQ-SECBINFHSA-N 1 2 294.319 -2.257 20 0 CAADLO CC(=O)NC[C@@H](O)C[NH2+]Cc1cc(=O)n2[nH]ccc2n1 ZINC001401618496 889172013 /nfs/dbraw/zinc/17/20/13/889172013.db2.gz OFOSNSGIHPUWNU-JTQLQIEISA-N 1 2 279.300 -1.391 20 0 CAADLO C[C@@H](C[NH2+]Cc1nc(=O)n(C)[nH]1)NC(=O)c1nnc[nH]1 ZINC001401711424 889180298 /nfs/dbraw/zinc/18/02/98/889180298.db2.gz GEGNYLCMIMYGBS-LURJTMIESA-N 1 2 280.292 -1.865 20 0 CAADLO CC(=O)NCC(=O)NC[C@@H]1CC[N@H+]1[C@H]1CCN(C)C1=O ZINC001401869558 889189193 /nfs/dbraw/zinc/18/91/93/889189193.db2.gz PMRDOKLTFNVDSD-QWRGUYRKSA-N 1 2 282.344 -1.456 20 0 CAADLO CC(=O)NCC(=O)NC[C@@H]1CC[N@@H+]1[C@H]1CCN(C)C1=O ZINC001401869558 889189203 /nfs/dbraw/zinc/18/92/03/889189203.db2.gz PMRDOKLTFNVDSD-QWRGUYRKSA-N 1 2 282.344 -1.456 20 0 CAADLO CCN(C)C(=O)C[N@@H+]1CC[C@H]1CNC(=O)CNC(C)=O ZINC001401877879 889189373 /nfs/dbraw/zinc/18/93/73/889189373.db2.gz PIEMSCNVQBDKSP-NSHDSACASA-N 1 2 284.360 -1.209 20 0 CAADLO CCN(C)C(=O)C[N@H+]1CC[C@H]1CNC(=O)CNC(C)=O ZINC001401877879 889189384 /nfs/dbraw/zinc/18/93/84/889189384.db2.gz PIEMSCNVQBDKSP-NSHDSACASA-N 1 2 284.360 -1.209 20 0 CAADLO CCN1CC[C@@H]([N@@H+]2CC[C@H]2CNC(=O)CNC(C)=O)C1=O ZINC001401871901 889190049 /nfs/dbraw/zinc/19/00/49/889190049.db2.gz RDQNZDQKKCMUOO-NWDGAFQWSA-N 1 2 296.371 -1.066 20 0 CAADLO CCN1CC[C@@H]([N@H+]2CC[C@H]2CNC(=O)CNC(C)=O)C1=O ZINC001401871901 889190055 /nfs/dbraw/zinc/19/00/55/889190055.db2.gz RDQNZDQKKCMUOO-NWDGAFQWSA-N 1 2 296.371 -1.066 20 0 CAADLO CN(C)C(=O)C[N@@H+]1CC[C@@H]1CNC(=O)CN1CCCC1=O ZINC001401873376 889190068 /nfs/dbraw/zinc/19/00/68/889190068.db2.gz PGGITCHXGRVSPN-LLVKDONJSA-N 1 2 296.371 -1.113 20 0 CAADLO CN(C)C(=O)C[N@H+]1CC[C@@H]1CNC(=O)CN1CCCC1=O ZINC001401873376 889190075 /nfs/dbraw/zinc/19/00/75/889190075.db2.gz PGGITCHXGRVSPN-LLVKDONJSA-N 1 2 296.371 -1.113 20 0 CAADLO CC(=O)NCC(=O)NC[C@@H]1CC[N@@H+]1CC(=O)N1CCCC1 ZINC001401864377 889190150 /nfs/dbraw/zinc/19/01/50/889190150.db2.gz DIIJPEWTFXJPED-LBPRGKRZSA-N 1 2 296.371 -1.065 20 0 CAADLO CC(=O)NCC(=O)NC[C@@H]1CC[N@H+]1CC(=O)N1CCCC1 ZINC001401864377 889190155 /nfs/dbraw/zinc/19/01/55/889190155.db2.gz DIIJPEWTFXJPED-LBPRGKRZSA-N 1 2 296.371 -1.065 20 0 CAADLO Cn1cnn(CC(=O)NC[C@@H]2CC[N@@H+]2CCF)c1=O ZINC001401895523 889190194 /nfs/dbraw/zinc/19/01/94/889190194.db2.gz WHHLNYCORKYEEK-VIFPVBQESA-N 1 2 271.296 -1.258 20 0 CAADLO Cn1cnn(CC(=O)NC[C@@H]2CC[N@H+]2CCF)c1=O ZINC001401895523 889190197 /nfs/dbraw/zinc/19/01/97/889190197.db2.gz WHHLNYCORKYEEK-VIFPVBQESA-N 1 2 271.296 -1.258 20 0 CAADLO CCN1CC[C@H]([N@@H+]2CC[C@@H]2CNC(=O)CNC(C)=O)C1=O ZINC001401871889 889190231 /nfs/dbraw/zinc/19/02/31/889190231.db2.gz RDQNZDQKKCMUOO-NEPJUHHUSA-N 1 2 296.371 -1.066 20 0 CAADLO CCN1CC[C@H]([N@H+]2CC[C@@H]2CNC(=O)CNC(C)=O)C1=O ZINC001401871889 889190233 /nfs/dbraw/zinc/19/02/33/889190233.db2.gz RDQNZDQKKCMUOO-NEPJUHHUSA-N 1 2 296.371 -1.066 20 0 CAADLO CC(=O)NCC(=O)NC[C@@H]1CC[N@H+]1[C@@H]1CCN(C)C1=O ZINC001401869561 889190393 /nfs/dbraw/zinc/19/03/93/889190393.db2.gz PMRDOKLTFNVDSD-WDEREUQCSA-N 1 2 282.344 -1.456 20 0 CAADLO CC(=O)NCC(=O)NC[C@@H]1CC[N@@H+]1[C@@H]1CCN(C)C1=O ZINC001401869561 889190397 /nfs/dbraw/zinc/19/03/97/889190397.db2.gz PMRDOKLTFNVDSD-WDEREUQCSA-N 1 2 282.344 -1.456 20 0 CAADLO CC(=O)NCC(=O)NC[C@H]1CC[N@H+]1[C@H]1CCN(C)C1=O ZINC001401869555 889190562 /nfs/dbraw/zinc/19/05/62/889190562.db2.gz PMRDOKLTFNVDSD-MNOVXSKESA-N 1 2 282.344 -1.456 20 0 CAADLO CN(C)C(=O)C[N@@H+]1CC[C@H]1CNC(=O)Cn1cnnn1 ZINC001401874601 889190514 /nfs/dbraw/zinc/19/05/14/889190514.db2.gz UYSQXNPXPUXOTM-VIFPVBQESA-N 1 2 281.320 -2.048 20 0 CAADLO CN(C)C(=O)C[N@H+]1CC[C@H]1CNC(=O)Cn1cnnn1 ZINC001401874601 889190517 /nfs/dbraw/zinc/19/05/17/889190517.db2.gz UYSQXNPXPUXOTM-VIFPVBQESA-N 1 2 281.320 -2.048 20 0 CAADLO COC[C@H](O)C[N@@H+]1CC[C@H]1CNC(=O)CCc1nc[nH]n1 ZINC001401879563 889190710 /nfs/dbraw/zinc/19/07/10/889190710.db2.gz RXIHZZBQMMNANB-WDEREUQCSA-N 1 2 297.359 -1.065 20 0 CAADLO COC[C@H](O)C[N@H+]1CC[C@H]1CNC(=O)CCc1nc[nH]n1 ZINC001401879563 889190720 /nfs/dbraw/zinc/19/07/20/889190720.db2.gz RXIHZZBQMMNANB-WDEREUQCSA-N 1 2 297.359 -1.065 20 0 CAADLO Cn1ncc(C[NH2+]C2(CNC(=O)Cn3cnnn3)CC2)n1 ZINC001401925139 889192837 /nfs/dbraw/zinc/19/28/37/889192837.db2.gz SQBHOPVFGCYNSP-UHFFFAOYSA-N 1 2 291.319 -1.760 20 0 CAADLO O=C(Cn1cnnn1)NCC1([NH2+]Cc2nncs2)CC1 ZINC001401925151 889192933 /nfs/dbraw/zinc/19/29/33/889192933.db2.gz TVIJMPUQCGQDKX-UHFFFAOYSA-N 1 2 294.344 -1.037 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+]1CC[C@H]1CNC(=O)Cn1cncn1 ZINC001401906395 889193447 /nfs/dbraw/zinc/19/34/47/889193447.db2.gz BQXNFZPIVDSZQP-UWVGGRQHSA-N 1 2 280.332 -1.397 20 0 CAADLO CNC(=O)[C@H](C)[N@H+]1CC[C@H]1CNC(=O)Cn1cncn1 ZINC001401906395 889193465 /nfs/dbraw/zinc/19/34/65/889193465.db2.gz BQXNFZPIVDSZQP-UWVGGRQHSA-N 1 2 280.332 -1.397 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CC[C@H]1CNC(=O)CCc1cn(C)nn1 ZINC001401913470 889193554 /nfs/dbraw/zinc/19/35/54/889193554.db2.gz IPMZBKYKCBSKCM-KOLCDFICSA-N 1 2 294.359 -1.188 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CC[C@H]1CNC(=O)CCc1cn(C)nn1 ZINC001401913470 889193567 /nfs/dbraw/zinc/19/35/67/889193567.db2.gz IPMZBKYKCBSKCM-KOLCDFICSA-N 1 2 294.359 -1.188 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+]1CC[C@@H]1CNC(=O)Cn1cncn1 ZINC001401906397 889194536 /nfs/dbraw/zinc/19/45/36/889194536.db2.gz BQXNFZPIVDSZQP-VHSXEESVSA-N 1 2 280.332 -1.397 20 0 CAADLO CNC(=O)[C@H](C)[N@H+]1CC[C@@H]1CNC(=O)Cn1cncn1 ZINC001401906397 889194541 /nfs/dbraw/zinc/19/45/41/889194541.db2.gz BQXNFZPIVDSZQP-VHSXEESVSA-N 1 2 280.332 -1.397 20 0 CAADLO CN(C(=O)CCNS(C)(=O)=O)C1C[NH+](CCO)C1 ZINC001402016736 889196390 /nfs/dbraw/zinc/19/63/90/889196390.db2.gz PHEKWBAARPHKTR-UHFFFAOYSA-N 1 2 279.362 -1.939 20 0 CAADLO Cn1ncc(C[NH2+]C2(CNC(=O)[C@@H]3CNC(=O)N3)CC2)n1 ZINC001402016565 889197518 /nfs/dbraw/zinc/19/75/18/889197518.db2.gz DEFCPMDQWUBXDW-VIFPVBQESA-N 1 2 293.331 -1.765 20 0 CAADLO CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001402094530 889199261 /nfs/dbraw/zinc/19/92/61/889199261.db2.gz QEHLIJNPPTWNSV-MXWKQRLJSA-N 1 2 296.371 -1.176 20 0 CAADLO CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001402094530 889199268 /nfs/dbraw/zinc/19/92/68/889199268.db2.gz QEHLIJNPPTWNSV-MXWKQRLJSA-N 1 2 296.371 -1.176 20 0 CAADLO COCC(=O)NCC[NH+]1CCN(Cc2nnn(C)n2)CC1 ZINC001402098301 889199385 /nfs/dbraw/zinc/19/93/85/889199385.db2.gz SXMSDBKXKPCOSM-UHFFFAOYSA-N 1 2 297.363 -1.910 20 0 CAADLO CNS(=O)(=O)CC(=O)N(C)C1C[NH+](C[C@@H](C)O)C1 ZINC001402032708 889199615 /nfs/dbraw/zinc/19/96/15/889199615.db2.gz JYUMKQFFPVYFRW-MRVPVSSYSA-N 1 2 279.362 -1.941 20 0 CAADLO CN(C(=O)CCn1cnccc1=O)C1C[NH+](CCO)C1 ZINC001402032227 889200968 /nfs/dbraw/zinc/20/09/68/889200968.db2.gz KEBSPUAUOIQXFV-UHFFFAOYSA-N 1 2 280.328 -1.232 20 0 CAADLO CNC(=O)C[NH2+]C[C@H]1CCCN1C(=O)Cc1ncn[nH]1 ZINC001402086078 889201710 /nfs/dbraw/zinc/20/17/10/889201710.db2.gz ZHMRTNNUULBMDI-SECBINFHSA-N 1 2 280.332 -1.326 20 0 CAADLO CCC(=O)N[C@H](C)C(=O)N[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001402165028 889202918 /nfs/dbraw/zinc/20/29/18/889202918.db2.gz MOKAMVZVRZOXIZ-RKDXNWHRSA-N 1 2 270.333 -1.423 20 0 CAADLO CCC(=O)N[C@H](C)C(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001402165028 889202933 /nfs/dbraw/zinc/20/29/33/889202933.db2.gz MOKAMVZVRZOXIZ-RKDXNWHRSA-N 1 2 270.333 -1.423 20 0 CAADLO CCCNC(=O)C[N@@H+]1CC[C@H](NC(=O)Cn2cnnn2)C1 ZINC001402156797 889203174 /nfs/dbraw/zinc/20/31/74/889203174.db2.gz YMRIZUVRFJUSKE-JTQLQIEISA-N 1 2 295.347 -1.610 20 0 CAADLO CCCNC(=O)C[N@H+]1CC[C@H](NC(=O)Cn2cnnn2)C1 ZINC001402156797 889203185 /nfs/dbraw/zinc/20/31/85/889203185.db2.gz YMRIZUVRFJUSKE-JTQLQIEISA-N 1 2 295.347 -1.610 20 0 CAADLO NC(=O)NC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cn[nH]c2)C1 ZINC001402152077 889203448 /nfs/dbraw/zinc/20/34/48/889203448.db2.gz AIMSJNRGDSAJIT-QMMMGPOBSA-N 1 2 280.288 -1.591 20 0 CAADLO NC(=O)NC(=O)C[N@H+]1CC[C@H](NC(=O)c2cn[nH]c2)C1 ZINC001402152077 889203460 /nfs/dbraw/zinc/20/34/60/889203460.db2.gz AIMSJNRGDSAJIT-QMMMGPOBSA-N 1 2 280.288 -1.591 20 0 CAADLO C[C@]1(NC(=O)CCc2nnc[nH]2)CC[N@H+](CC(N)=O)C1 ZINC001402146558 889204725 /nfs/dbraw/zinc/20/47/25/889204725.db2.gz XEBKASONKYSOSW-LBPRGKRZSA-N 1 2 280.332 -1.197 20 0 CAADLO C[C@]1(NC(=O)CCc2nnc[nH]2)CC[N@@H+](CC(N)=O)C1 ZINC001402146558 889204739 /nfs/dbraw/zinc/20/47/39/889204739.db2.gz XEBKASONKYSOSW-LBPRGKRZSA-N 1 2 280.332 -1.197 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@](C)(NC(=O)Cc2nnc[nH]2)C1 ZINC001402129466 889206272 /nfs/dbraw/zinc/20/62/72/889206272.db2.gz LKSDDLTZZVIGGC-LBPRGKRZSA-N 1 2 280.332 -1.326 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@](C)(NC(=O)Cc2nnc[nH]2)C1 ZINC001402129466 889206284 /nfs/dbraw/zinc/20/62/84/889206284.db2.gz LKSDDLTZZVIGGC-LBPRGKRZSA-N 1 2 280.332 -1.326 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)COC[C@H]2CCCO2)C1 ZINC001402227271 889206892 /nfs/dbraw/zinc/20/68/92/889206892.db2.gz COOSUPCLPGZOCM-WDEREUQCSA-N 1 2 285.344 -1.142 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)COC[C@H]2CCCO2)C1 ZINC001402227271 889206901 /nfs/dbraw/zinc/20/69/01/889206901.db2.gz COOSUPCLPGZOCM-WDEREUQCSA-N 1 2 285.344 -1.142 20 0 CAADLO CO[C@H](C)C[NH+]1CC(O)(CNC(=O)CNC(C)=O)C1 ZINC001402280113 889218474 /nfs/dbraw/zinc/21/84/74/889218474.db2.gz JLYHNEMIJLBMLZ-SECBINFHSA-N 1 2 273.333 -1.680 20 0 CAADLO COC(=O)NCC(=O)NCC1(O)C[NH+](C[C@@H](C)O)C1 ZINC001402298481 889220610 /nfs/dbraw/zinc/22/06/10/889220610.db2.gz ASRPCOCSZJKQRH-MRVPVSSYSA-N 1 2 275.305 -2.114 20 0 CAADLO C[C@@H](O)C[NH+]1CC(O)(CNC(=O)C[C@@H]2CCOC2)C1 ZINC001402302682 889222267 /nfs/dbraw/zinc/22/22/67/889222267.db2.gz DVZWYGYHLFXASB-MNOVXSKESA-N 1 2 272.345 -1.043 20 0 CAADLO CO[C@@H](C)C[NH+]1CC(O)(CNC(=O)CNC(=O)C2CC2)C1 ZINC001402314875 889224847 /nfs/dbraw/zinc/22/48/47/889224847.db2.gz RNUJGTWPVJIUPA-JTQLQIEISA-N 1 2 299.371 -1.290 20 0 CAADLO Cn1nnnc1C[NH2+][C@H](CNC(=O)c1cn[nH]n1)C1CC1 ZINC001402317583 889225713 /nfs/dbraw/zinc/22/57/13/889225713.db2.gz UJTYXSCTSNITIN-MRVPVSSYSA-N 1 2 291.319 -1.374 20 0 CAADLO Cn1nnnc1C[NH2+][C@H](CNC(=O)c1cnn[nH]1)C1CC1 ZINC001402317583 889225723 /nfs/dbraw/zinc/22/57/23/889225723.db2.gz UJTYXSCTSNITIN-MRVPVSSYSA-N 1 2 291.319 -1.374 20 0 CAADLO Cc1nnc(CC(=O)NCC2(O)C[NH+](C[C@@H](C)O)C2)o1 ZINC001402323330 889225926 /nfs/dbraw/zinc/22/59/26/889225926.db2.gz GRIPISNSAFSWBF-MRVPVSSYSA-N 1 2 284.316 -1.536 20 0 CAADLO Cc1nnc(CC(=O)NCC2(O)C[NH+](C[C@H](C)O)C2)o1 ZINC001402323337 889226494 /nfs/dbraw/zinc/22/64/94/889226494.db2.gz GRIPISNSAFSWBF-QMMMGPOBSA-N 1 2 284.316 -1.536 20 0 CAADLO CO[C@H](C)C[NH+]1CC(O)(CNC(=O)CNC(=O)C2CC2)C1 ZINC001402314879 889226791 /nfs/dbraw/zinc/22/67/91/889226791.db2.gz RNUJGTWPVJIUPA-SNVBAGLBSA-N 1 2 299.371 -1.290 20 0 CAADLO CO[C@@H](C)C[NH+]1CC(O)(CNC(=O)CN(C)C(C)=O)C1 ZINC001402316434 889226945 /nfs/dbraw/zinc/22/69/45/889226945.db2.gz TXACKQHFPVKIND-JTQLQIEISA-N 1 2 287.360 -1.338 20 0 CAADLO Cn1nnnc1C[NH2+][C@@H](CNC(=O)c1cn[nH]n1)C1CC1 ZINC001402317586 889227248 /nfs/dbraw/zinc/22/72/48/889227248.db2.gz UJTYXSCTSNITIN-QMMMGPOBSA-N 1 2 291.319 -1.374 20 0 CAADLO Cn1nnnc1C[NH2+][C@@H](CNC(=O)c1cnn[nH]1)C1CC1 ZINC001402317586 889227266 /nfs/dbraw/zinc/22/72/66/889227266.db2.gz UJTYXSCTSNITIN-QMMMGPOBSA-N 1 2 291.319 -1.374 20 0 CAADLO COC1CC(C(=O)NCC2(O)C[NH+](C[C@@H](C)O)C2)C1 ZINC001402335908 889228193 /nfs/dbraw/zinc/22/81/93/889228193.db2.gz UAOBRXDDXJNTIE-KPPDAEKUSA-N 1 2 272.345 -1.045 20 0 CAADLO C[C@H](O)CCC[NH+]1CC(O)(CNC(=O)Cn2ncnn2)C1 ZINC001402345169 889228226 /nfs/dbraw/zinc/22/82/26/889228226.db2.gz ZFGXEJWIXHSIOE-JTQLQIEISA-N 1 2 298.347 -2.003 20 0 CAADLO COc1cc(C(=O)NCC2(O)C[NH+](C[C@H](C)O)C2)ncn1 ZINC001402339646 889230720 /nfs/dbraw/zinc/23/07/20/889230720.db2.gz OPQFVVPUHPRGHE-VIFPVBQESA-N 1 2 296.327 -1.358 20 0 CAADLO CC[NH+]1CC(O)(CNC(=O)[C@H]2CC(=O)N(CCOC)C2)C1 ZINC001402328606 889230539 /nfs/dbraw/zinc/23/05/39/889230539.db2.gz CGHRCSACDAREQJ-NSHDSACASA-N 1 2 299.371 -1.336 20 0 CAADLO C[C@@H](O)C[NH+]1CC(O)(CNC(=O)CN2CCCCC2=O)C1 ZINC001402346812 889230691 /nfs/dbraw/zinc/23/06/91/889230691.db2.gz SZJLESBREBACFV-LLVKDONJSA-N 1 2 299.371 -1.457 20 0 CAADLO O=C(NCC1(O)C[NH+](C[C@H]2CCOC2)C1)c1cn[nH]n1 ZINC001402346918 889230989 /nfs/dbraw/zinc/23/09/89/889230989.db2.gz TZFYVZIGKFQLHX-SECBINFHSA-N 1 2 281.316 -1.382 20 0 CAADLO O=C(NCC1(O)C[NH+](C[C@H]2CCOC2)C1)c1cnn[nH]1 ZINC001402346918 889231005 /nfs/dbraw/zinc/23/10/05/889231005.db2.gz TZFYVZIGKFQLHX-SECBINFHSA-N 1 2 281.316 -1.382 20 0 CAADLO C[C@H](O)C[NH+]1CC(O)(CNC(=O)c2c[nH]c(=O)n2C)C1 ZINC001402354793 889231792 /nfs/dbraw/zinc/23/17/92/889231792.db2.gz PYFNZVIXENXCLC-QMMMGPOBSA-N 1 2 284.316 -1.717 20 0 CAADLO CO[C@@H](C)C[NH+]1CC(O)(CNC(=O)c2[nH]nnc2C)C1 ZINC001402357427 889232077 /nfs/dbraw/zinc/23/20/77/889232077.db2.gz UZFJDRZSOLVPAI-QMMMGPOBSA-N 1 2 283.332 -1.075 20 0 CAADLO C[C@@H](O)CCC[NH+]1CC(O)(CNC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001402360164 889233342 /nfs/dbraw/zinc/23/33/42/889233342.db2.gz XTEDFTMQFNLDOQ-MXWKQRLJSA-N 1 2 299.371 -1.568 20 0 CAADLO C[C@@H](O)C[NH+]1CC(O)(CNC(=O)C[C@H]2CCC(=O)N2)C1 ZINC001402351876 889233434 /nfs/dbraw/zinc/23/34/34/889233434.db2.gz IUSDNMRDEYKCCM-NXEZZACHSA-N 1 2 285.344 -1.801 20 0 CAADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCC1(O)CN(CC(N)=O)C1 ZINC001402350341 889233503 /nfs/dbraw/zinc/23/35/03/889233503.db2.gz FXFZTGSNYWBNGG-VIFPVBQESA-N 1 2 295.343 -1.764 20 0 CAADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCC1(O)CN(CC(N)=O)C1 ZINC001402350341 889233517 /nfs/dbraw/zinc/23/35/17/889233517.db2.gz FXFZTGSNYWBNGG-VIFPVBQESA-N 1 2 295.343 -1.764 20 0 CAADLO Cc1ccnn1CC(=O)NCC1(O)C[NH+](C[C@@H](C)O)C1 ZINC001402356286 889234267 /nfs/dbraw/zinc/23/42/67/889234267.db2.gz GUCLPDJQYKIJMS-LLVKDONJSA-N 1 2 282.344 -1.265 20 0 CAADLO CC[C@@H](C(N)=O)N1CC(O)(CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001402362139 889234659 /nfs/dbraw/zinc/23/46/59/889234659.db2.gz QIHKFJVASZIDSL-VIFPVBQESA-N 1 2 295.343 -1.621 20 0 CAADLO CCn1cc(CC(=O)NCC2(O)C[NH+](CCCO)C2)cn1 ZINC001402366003 889235827 /nfs/dbraw/zinc/23/58/27/889235827.db2.gz BMFNVDWLRGXOSM-UHFFFAOYSA-N 1 2 296.371 -1.009 20 0 CAADLO Cc1nonc1C(=O)NCC1(O)C[NH+](C[C@@H](C)O)C1 ZINC001402383286 889236394 /nfs/dbraw/zinc/23/63/94/889236394.db2.gz NZEFRVFEZXMVHF-SSDOTTSWSA-N 1 2 270.289 -1.465 20 0 CAADLO C[C@H](O)C[NH+]1CC(O)(CNC(=O)c2cnn3cc[nH]c23)C1 ZINC001402368598 889237672 /nfs/dbraw/zinc/23/76/72/889237672.db2.gz HHYZJSDGQIUGAM-VIFPVBQESA-N 1 2 293.327 -1.180 20 0 CAADLO CC[C@H](C[NH+]1CC(O)(CNC(=O)Cc2nc[nH]n2)C1)OC ZINC001402365974 889238093 /nfs/dbraw/zinc/23/80/93/889238093.db2.gz AQPFYRAGEDUZEM-SNVBAGLBSA-N 1 2 297.359 -1.065 20 0 CAADLO C[C@@H](O)CCC[NH+]1CC(O)(CNC(=O)Cc2nc[nH]n2)C1 ZINC001402379160 889239329 /nfs/dbraw/zinc/23/93/29/889239329.db2.gz ZWGITAFUSFXLSJ-SNVBAGLBSA-N 1 2 297.359 -1.329 20 0 CAADLO CC(=O)N[C@H](C)C(=O)N[C@H]1C[C@H]([NH2+]Cc2nnn(C)n2)C1 ZINC001402476445 889240969 /nfs/dbraw/zinc/24/09/69/889240969.db2.gz PTQAUXPZMYVGAH-SZEHBUNVSA-N 1 2 295.347 -1.529 20 0 CAADLO C[C@@H](O)C[N@@H+]1CCOC[C@@H]1CNC(=O)CCn1cncn1 ZINC001402492160 889243135 /nfs/dbraw/zinc/24/31/35/889243135.db2.gz AMMOFYZFJVXMCY-NEPJUHHUSA-N 1 2 297.359 -1.134 20 0 CAADLO C[C@@H](O)C[N@H+]1CCOC[C@@H]1CNC(=O)CCn1cncn1 ZINC001402492160 889243139 /nfs/dbraw/zinc/24/31/39/889243139.db2.gz AMMOFYZFJVXMCY-NEPJUHHUSA-N 1 2 297.359 -1.134 20 0 CAADLO CC(=O)NCC(=O)NC[C@@H]1COCC[N@H+]1C[C@H](C)O ZINC001402523548 889245159 /nfs/dbraw/zinc/24/51/59/889245159.db2.gz UMXDXKUODRWXAT-GXSJLCMTSA-N 1 2 273.333 -1.680 20 0 CAADLO CC(=O)NCC(=O)NC[C@@H]1COCC[N@@H+]1C[C@H](C)O ZINC001402523548 889245171 /nfs/dbraw/zinc/24/51/71/889245171.db2.gz UMXDXKUODRWXAT-GXSJLCMTSA-N 1 2 273.333 -1.680 20 0 CAADLO C[C@H](O)C[N@@H+]1CCOC[C@@H]1CNC(=O)CCn1cncn1 ZINC001402492169 889246832 /nfs/dbraw/zinc/24/68/32/889246832.db2.gz AMMOFYZFJVXMCY-RYUDHWBXSA-N 1 2 297.359 -1.134 20 0 CAADLO C[C@H](O)C[N@H+]1CCOC[C@@H]1CNC(=O)CCn1cncn1 ZINC001402492169 889246841 /nfs/dbraw/zinc/24/68/41/889246841.db2.gz AMMOFYZFJVXMCY-RYUDHWBXSA-N 1 2 297.359 -1.134 20 0 CAADLO C[C@H](NC(N)=O)C(=O)N[C@H]1C[C@@H]([NH2+]Cc2nnn(C)n2)C1 ZINC001402562034 889248521 /nfs/dbraw/zinc/24/85/21/889248521.db2.gz KJHJBNIIBXXPEL-BIIVOSGPSA-N 1 2 296.335 -1.996 20 0 CAADLO NC(=O)C[NH2+]C[C@@H]1CN(C(=O)Cc2ncn[nH]2)CCO1 ZINC001402604409 889252991 /nfs/dbraw/zinc/25/29/91/889252991.db2.gz QOOWZTOUFFJLHN-MRVPVSSYSA-N 1 2 282.304 -2.351 20 0 CAADLO CC(=O)NCC(=O)NC[C@H](C)[NH2+]Cc1nc(N(C)C)no1 ZINC001402835068 889263119 /nfs/dbraw/zinc/26/31/19/889263119.db2.gz OAYLHDTZTYOOJL-QMMMGPOBSA-N 1 2 298.347 -1.134 20 0 CAADLO CNC(=O)C[NH+]1CCC(CO)(NC(=O)c2ccon2)CC1 ZINC001402860380 889265469 /nfs/dbraw/zinc/26/54/69/889265469.db2.gz LPQRPYMHJRFJSA-UHFFFAOYSA-N 1 2 296.327 -1.023 20 0 CAADLO Cn1cc(C(=O)NC2(CO)CC[NH+](CC(N)=O)CC2)nn1 ZINC001402859379 889266070 /nfs/dbraw/zinc/26/60/70/889266070.db2.gz JCWRDLPHBMWZTL-UHFFFAOYSA-N 1 2 296.331 -2.143 20 0 CAADLO C[C@H](CNC(=O)CCc1nnc[nH]1)[NH2+]Cc1nnnn1C ZINC001402868205 889266197 /nfs/dbraw/zinc/26/61/97/889266197.db2.gz JTZJQJWFNQTIBP-MRVPVSSYSA-N 1 2 293.335 -1.445 20 0 CAADLO CCO[C@@H](C)C(=O)NC1(CO)CC[NH+](CC(N)=O)CC1 ZINC001402867902 889266401 /nfs/dbraw/zinc/26/64/01/889266401.db2.gz XZDRWAKXAVSPCI-JTQLQIEISA-N 1 2 287.360 -1.160 20 0 CAADLO CCc1nnc(C[NH2+][C@H](C)CNC(=O)Cn2cnnn2)o1 ZINC001402848075 889267918 /nfs/dbraw/zinc/26/79/18/889267918.db2.gz UCVLCGBGRNDSRV-MRVPVSSYSA-N 1 2 294.319 -1.087 20 0 CAADLO C[C@@H](CNC(=O)CCc1nnc[nH]1)[NH2+]Cc1nnnn1C ZINC001402868206 889268192 /nfs/dbraw/zinc/26/81/92/889268192.db2.gz JTZJQJWFNQTIBP-QMMMGPOBSA-N 1 2 293.335 -1.445 20 0 CAADLO CC(C)[C@@H](O)C(=O)NC[C@@H](C)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001402880653 889268260 /nfs/dbraw/zinc/26/82/60/889268260.db2.gz UQCOLZSKVSJSBH-PSASIEDQSA-N 1 2 285.348 -1.280 20 0 CAADLO CC(C)(O)CC(=O)NC1(CO)CC[NH+](CC(N)=O)CC1 ZINC001402858293 889269045 /nfs/dbraw/zinc/26/90/45/889269045.db2.gz GNJFDYFCZGCYBG-UHFFFAOYSA-N 1 2 287.360 -1.424 20 0 CAADLO C[C@@H](CNC(=O)c1ccnnc1)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001403035823 889280293 /nfs/dbraw/zinc/28/02/93/889280293.db2.gz YIPRUYAFWSNUAH-QMMMGPOBSA-N 1 2 291.315 -1.194 20 0 CAADLO C[C@@H](CNC(=O)[C@@H]1CCC(=O)N1)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001403089219 889280634 /nfs/dbraw/zinc/28/06/34/889280634.db2.gz HKMVXBDXDWZLMS-YUMQZZPRSA-N 1 2 296.331 -2.019 20 0 CAADLO C[C@H](CNC(=O)c1ccnnc1)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001403035780 889280666 /nfs/dbraw/zinc/28/06/66/889280666.db2.gz YIPRUYAFWSNUAH-MRVPVSSYSA-N 1 2 291.315 -1.194 20 0 CAADLO C[C@@H](CNC(=O)c1ncccn1)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001403081251 889280752 /nfs/dbraw/zinc/28/07/52/889280752.db2.gz KBEQNOXLFYJEQW-QMMMGPOBSA-N 1 2 291.315 -1.194 20 0 CAADLO O=C(C[NH2+][C@H]1CCN(C(=O)Cc2ncn[nH]2)C1)NC1CC1 ZINC001403191365 889290227 /nfs/dbraw/zinc/29/02/27/889290227.db2.gz CANWREJHMYUELS-JTQLQIEISA-N 1 2 292.343 -1.184 20 0 CAADLO CCO[C@@H]1C[C@H]1C(=O)NC1(CCO)C[NH+](CCO)C1 ZINC001403200867 889292107 /nfs/dbraw/zinc/29/21/07/889292107.db2.gz IBMDBMKPKUBKRB-GHMZBOCLSA-N 1 2 272.345 -1.043 20 0 CAADLO C[C@@H](O)C[NH+]1CC(CCO)(NC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001403239730 889293524 /nfs/dbraw/zinc/29/35/24/889293524.db2.gz HEESOKHXWPUVIJ-ZJUUUORDSA-N 1 2 285.344 -1.801 20 0 CAADLO CNC(=O)NCC(=O)NC1(CCO)C[NH+](CCCF)C1 ZINC001403213425 889293875 /nfs/dbraw/zinc/29/38/75/889293875.db2.gz QUVFKTBFHSWLOL-UHFFFAOYSA-N 1 2 290.339 -1.172 20 0 CAADLO O=C(NC1(CCO)C[NH+](CCCO)C1)[C@]12C[C@H]1COC2 ZINC001403225912 889293914 /nfs/dbraw/zinc/29/39/14/889293914.db2.gz YWFWKAPTMLQSDI-FZMZJTMJSA-N 1 2 284.356 -1.042 20 0 CAADLO O=C(NC1(CCO)C[NH+](CCCO)C1)c1c[nH]c(=O)cn1 ZINC001403225357 889293968 /nfs/dbraw/zinc/29/39/68/889293968.db2.gz AZTTVIDRCPYYOT-UHFFFAOYSA-N 1 2 296.327 -1.681 20 0 CAADLO C[C@@H](C(=O)NC1(CCO)C[NH+](CCO)C1)[C@H]1CCC(=O)N1 ZINC001403228062 889295415 /nfs/dbraw/zinc/29/54/15/889295415.db2.gz UBPDLRSQAWYAMU-GHMZBOCLSA-N 1 2 299.371 -1.554 20 0 CAADLO C[C@H](NC(=O)C[C@H]1CCN(C)C1=O)C1C[NH+](CC(N)=O)C1 ZINC001403314279 889297029 /nfs/dbraw/zinc/29/70/29/889297029.db2.gz DSKZZMCRHKRODW-VHSXEESVSA-N 1 2 296.371 -1.223 20 0 CAADLO C[C@@H](NC(=O)C[C@@H]1CCC(=O)NC1)C1C[NH+](CC(N)=O)C1 ZINC001403298011 889297132 /nfs/dbraw/zinc/29/71/32/889297132.db2.gz FSIMTCPMZPJLTE-ZJUUUORDSA-N 1 2 296.371 -1.176 20 0 CAADLO CNC(=O)C[NH+]1CC([C@@H](C)NC(=O)[C@@H](C)NC(C)=O)C1 ZINC001403307859 889297621 /nfs/dbraw/zinc/29/76/21/889297621.db2.gz SXWASMUWOYEUEW-RKDXNWHRSA-N 1 2 284.360 -1.307 20 0 CAADLO CNC(=O)C[NH+]1CC([C@@H](C)NC(=O)[C@H](C)NC(C)=O)C1 ZINC001403307848 889297897 /nfs/dbraw/zinc/29/78/97/889297897.db2.gz SXWASMUWOYEUEW-BDAKNGLRSA-N 1 2 284.360 -1.307 20 0 CAADLO C[C@H](NC(=O)C[C@@H]1CCN(C)C1=O)C1C[NH+](CC(N)=O)C1 ZINC001403314274 889298585 /nfs/dbraw/zinc/29/85/85/889298585.db2.gz DSKZZMCRHKRODW-UWVGGRQHSA-N 1 2 296.371 -1.223 20 0 CAADLO CNC(=O)C[NH+]1CC([C@H](C)NC(=O)[C@@H](C)NC(C)=O)C1 ZINC001403307851 889299233 /nfs/dbraw/zinc/29/92/33/889299233.db2.gz SXWASMUWOYEUEW-DTWKUNHWSA-N 1 2 284.360 -1.307 20 0 CAADLO CNC(=O)C[NH+]1CC([C@H](C)NC(=O)C[C@@H]2CCNC2=O)C1 ZINC001403302226 889300745 /nfs/dbraw/zinc/30/07/45/889300745.db2.gz LZZSIAOTGKCPBI-UWVGGRQHSA-N 1 2 296.371 -1.305 20 0 CAADLO NC(=O)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)CCc3cnn[nH]3)[C@@H]2C1 ZINC001403398698 889303670 /nfs/dbraw/zinc/30/36/70/889303670.db2.gz CNZWMCRIERKBAR-RTCCRHLQSA-N 1 2 292.343 -1.483 20 0 CAADLO NC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CCc3cnn[nH]3)[C@@H]2C1 ZINC001403398698 889303687 /nfs/dbraw/zinc/30/36/87/889303687.db2.gz CNZWMCRIERKBAR-RTCCRHLQSA-N 1 2 292.343 -1.483 20 0 CAADLO Cn1[nH]c(C[N@H+](C)CCNC(=O)c2ccon2)nc1=O ZINC001403513413 889305181 /nfs/dbraw/zinc/30/51/81/889305181.db2.gz YTVXVVBFXCWNGO-UHFFFAOYSA-N 1 2 280.288 -1.042 20 0 CAADLO C[N@H+](CCNC(=O)CNC(=O)C1CC1)CC(=O)NC1CC1 ZINC001403509217 889304931 /nfs/dbraw/zinc/30/49/31/889304931.db2.gz WQPWLXMQHXMMBS-UHFFFAOYSA-N 1 2 296.371 -1.161 20 0 CAADLO C[N@@H+](CCNC(=O)CNC(=O)C1CC1)CC(=O)NC1CC1 ZINC001403509217 889304947 /nfs/dbraw/zinc/30/49/47/889304947.db2.gz WQPWLXMQHXMMBS-UHFFFAOYSA-N 1 2 296.371 -1.161 20 0 CAADLO Cn1[nH]c(C[N@@H+](C)CCNC(=O)c2ccon2)nc1=O ZINC001403513413 889305187 /nfs/dbraw/zinc/30/51/87/889305187.db2.gz YTVXVVBFXCWNGO-UHFFFAOYSA-N 1 2 280.288 -1.042 20 0 CAADLO C[C@@H](CCNC(=O)c1nnc[nH]1)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001403456241 889306210 /nfs/dbraw/zinc/30/62/10/889306210.db2.gz XDOYXWBCWBWSNK-ZETCQYMHSA-N 1 2 294.319 -1.475 20 0 CAADLO C[C@@H](CCNC(=O)c1ncn[nH]1)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001403456241 889306226 /nfs/dbraw/zinc/30/62/26/889306226.db2.gz XDOYXWBCWBWSNK-ZETCQYMHSA-N 1 2 294.319 -1.475 20 0 CAADLO C[C@@H](CCNC(=O)c1nc[nH]n1)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001403456241 889306239 /nfs/dbraw/zinc/30/62/39/889306239.db2.gz XDOYXWBCWBWSNK-ZETCQYMHSA-N 1 2 294.319 -1.475 20 0 CAADLO Cn1[nH]c(C[N@H+](C)CCNC(=O)c2cocn2)nc1=O ZINC001403509405 889309056 /nfs/dbraw/zinc/30/90/56/889309056.db2.gz SNZVILALNJUHAE-UHFFFAOYSA-N 1 2 280.288 -1.042 20 0 CAADLO Cn1[nH]c(C[N@@H+](C)CCNC(=O)c2cocn2)nc1=O ZINC001403509405 889309063 /nfs/dbraw/zinc/30/90/63/889309063.db2.gz SNZVILALNJUHAE-UHFFFAOYSA-N 1 2 280.288 -1.042 20 0 CAADLO C[C@H](CCNC(=O)c1nnc[nH]1)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001403456191 889309408 /nfs/dbraw/zinc/30/94/08/889309408.db2.gz XDOYXWBCWBWSNK-SSDOTTSWSA-N 1 2 294.319 -1.475 20 0 CAADLO C[C@H](CCNC(=O)c1ncn[nH]1)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001403456191 889309422 /nfs/dbraw/zinc/30/94/22/889309422.db2.gz XDOYXWBCWBWSNK-SSDOTTSWSA-N 1 2 294.319 -1.475 20 0 CAADLO C[C@H](CCNC(=O)c1nc[nH]n1)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001403456191 889309439 /nfs/dbraw/zinc/30/94/39/889309439.db2.gz XDOYXWBCWBWSNK-SSDOTTSWSA-N 1 2 294.319 -1.475 20 0 CAADLO C[C@@H](CCNC(=O)Cc1nc[nH]n1)[NH2+]Cc1nnn(C)n1 ZINC001403468998 889309688 /nfs/dbraw/zinc/30/96/88/889309688.db2.gz QMHQINXEAICJIN-QMMMGPOBSA-N 1 2 293.335 -1.445 20 0 CAADLO CC(C)NC(=O)C[N@H+](C)CCNC(=O)[C@H](C)NC(N)=O ZINC001403537777 889311516 /nfs/dbraw/zinc/31/15/16/889311516.db2.gz OGXJNRAPFVEVFY-VIFPVBQESA-N 1 2 287.364 -1.384 20 0 CAADLO CC(C)NC(=O)C[N@@H+](C)CCNC(=O)[C@H](C)NC(N)=O ZINC001403537777 889311534 /nfs/dbraw/zinc/31/15/34/889311534.db2.gz OGXJNRAPFVEVFY-VIFPVBQESA-N 1 2 287.364 -1.384 20 0 CAADLO Cn1cnc(C(=O)NCC[N@H+](C)CC(=O)NC2CC2)n1 ZINC001403545158 889312697 /nfs/dbraw/zinc/31/26/97/889312697.db2.gz JCPIAAHXSWSAPE-UHFFFAOYSA-N 1 2 280.332 -1.245 20 0 CAADLO Cn1cnc(C(=O)NCC[N@@H+](C)CC(=O)NC2CC2)n1 ZINC001403545158 889312709 /nfs/dbraw/zinc/31/27/09/889312709.db2.gz JCPIAAHXSWSAPE-UHFFFAOYSA-N 1 2 280.332 -1.245 20 0 CAADLO C[N@H+](CCNC(=O)Cn1ncnn1)CC(=O)N1CCC1 ZINC001403564098 889312870 /nfs/dbraw/zinc/31/28/70/889312870.db2.gz CYKDLDDJZBMGHG-UHFFFAOYSA-N 1 2 281.320 -2.047 20 0 CAADLO C[N@@H+](CCNC(=O)Cn1ncnn1)CC(=O)N1CCC1 ZINC001403564098 889312886 /nfs/dbraw/zinc/31/28/86/889312886.db2.gz CYKDLDDJZBMGHG-UHFFFAOYSA-N 1 2 281.320 -2.047 20 0 CAADLO Cn1[nH]c(C[N@H+](C)CCNC(=O)CC2(O)CCC2)nc1=O ZINC001403541628 889314903 /nfs/dbraw/zinc/31/49/03/889314903.db2.gz SBPGQOKWHSVEBN-UHFFFAOYSA-N 1 2 297.359 -1.039 20 0 CAADLO Cn1[nH]c(C[N@@H+](C)CCNC(=O)CC2(O)CCC2)nc1=O ZINC001403541628 889314917 /nfs/dbraw/zinc/31/49/17/889314917.db2.gz SBPGQOKWHSVEBN-UHFFFAOYSA-N 1 2 297.359 -1.039 20 0 CAADLO C[N@H+](CCNC(=O)c1cnc2n[nH]nc2c1)CC(N)=O ZINC001403576948 889315860 /nfs/dbraw/zinc/31/58/60/889315860.db2.gz GHVAVYMVFSKXDD-UHFFFAOYSA-N 1 2 277.288 -1.500 20 0 CAADLO C[N@@H+](CCNC(=O)c1cnc2n[nH]nc2c1)CC(N)=O ZINC001403576948 889315873 /nfs/dbraw/zinc/31/58/73/889315873.db2.gz GHVAVYMVFSKXDD-UHFFFAOYSA-N 1 2 277.288 -1.500 20 0 CAADLO CCNC(=O)C[N@H+](C)CCNC(=O)C[C@@H](C)NC(N)=O ZINC001403570799 889318155 /nfs/dbraw/zinc/31/81/55/889318155.db2.gz YQRVHRRSPNRLPC-SECBINFHSA-N 1 2 287.364 -1.383 20 0 CAADLO CCNC(=O)C[N@@H+](C)CCNC(=O)C[C@@H](C)NC(N)=O ZINC001403570799 889318168 /nfs/dbraw/zinc/31/81/68/889318168.db2.gz YQRVHRRSPNRLPC-SECBINFHSA-N 1 2 287.364 -1.383 20 0 CAADLO COCCC(=O)NC[C@H](CO)[NH2+]Cc1ncnn1C ZINC001403623911 889320880 /nfs/dbraw/zinc/32/08/80/889320880.db2.gz NPJVCEQKZOUITF-SECBINFHSA-N 1 2 271.321 -1.582 20 0 CAADLO CNS(=O)(=O)NCC(=O)NCC[N@H+](C)CC(N)=O ZINC001403648181 889332288 /nfs/dbraw/zinc/33/22/88/889332288.db2.gz XGEKFQWWBSQNJU-UHFFFAOYSA-N 1 2 281.338 -3.427 20 0 CAADLO Cc1cc(C(=O)NC[C@@H](CO)[NH2+]Cc2cnn(C)n2)on1 ZINC001403638028 889323925 /nfs/dbraw/zinc/32/39/25/889323925.db2.gz AHCTVNMSTYJAQV-JTQLQIEISA-N 1 2 294.315 -1.008 20 0 CAADLO Cn1ccc(=O)c(C(=O)NCC[N@H+](C)[C@@H]2CCNC2=O)c1 ZINC001403632136 889324131 /nfs/dbraw/zinc/32/41/31/889324131.db2.gz VCPCBOWFFCMADF-LLVKDONJSA-N 1 2 292.339 -1.065 20 0 CAADLO CNS(=O)(=O)NCC(=O)NCC[N@@H+](C)CC(N)=O ZINC001403648181 889332298 /nfs/dbraw/zinc/33/22/98/889332298.db2.gz XGEKFQWWBSQNJU-UHFFFAOYSA-N 1 2 281.338 -3.427 20 0 CAADLO Cn1ccc(=O)c(C(=O)NCC[N@@H+](C)[C@@H]2CCNC2=O)c1 ZINC001403632136 889324141 /nfs/dbraw/zinc/32/41/41/889324141.db2.gz VCPCBOWFFCMADF-LLVKDONJSA-N 1 2 292.339 -1.065 20 0 CAADLO CO[C@H](C)C(=O)NC[C@@H](CO)[NH2+]Cc1nncn1C ZINC001403643943 889325401 /nfs/dbraw/zinc/32/54/01/889325401.db2.gz JMXRVNPSKYFPBB-BDAKNGLRSA-N 1 2 271.321 -1.583 20 0 CAADLO CCC[C@H](C(=O)NCC[N@H+](C)CC(N)=O)S(N)(=O)=O ZINC001403642508 889325631 /nfs/dbraw/zinc/32/56/31/889325631.db2.gz PSRROGWZABDTQW-MRVPVSSYSA-N 1 2 294.377 -2.023 20 0 CAADLO CCC[C@H](C(=O)NCC[N@@H+](C)CC(N)=O)S(N)(=O)=O ZINC001403642508 889325643 /nfs/dbraw/zinc/32/56/43/889325643.db2.gz PSRROGWZABDTQW-MRVPVSSYSA-N 1 2 294.377 -2.023 20 0 CAADLO Cc1c(C(=O)NC[C@@H](CO)[NH2+]Cc2ccon2)nnn1C ZINC001403641471 889325693 /nfs/dbraw/zinc/32/56/93/889325693.db2.gz CABZDPWFPOPMKA-JTQLQIEISA-N 1 2 294.315 -1.008 20 0 CAADLO CNC(=O)C[N@H+](C)CCNC(=O)c1ccc2nnnn2c1 ZINC001403642359 889325985 /nfs/dbraw/zinc/32/59/85/889325985.db2.gz XVBVPZQDOIXSQV-UHFFFAOYSA-N 1 2 291.315 -1.468 20 0 CAADLO CNC(=O)C[N@@H+](C)CCNC(=O)c1ccc2nnnn2c1 ZINC001403642359 889325994 /nfs/dbraw/zinc/32/59/94/889325994.db2.gz XVBVPZQDOIXSQV-UHFFFAOYSA-N 1 2 291.315 -1.468 20 0 CAADLO Cn1cnnc1C[NH2+][C@H](CO)CNC(=O)c1cnccn1 ZINC001403646848 889326495 /nfs/dbraw/zinc/32/64/95/889326495.db2.gz XQTWPUVEHZYHAU-VIFPVBQESA-N 1 2 291.315 -1.514 20 0 CAADLO CC(=O)N(C)CC(=O)NC[C@H](CO)[NH2+]Cc1nonc1C ZINC001403641089 889326853 /nfs/dbraw/zinc/32/68/53/889326853.db2.gz BUEXATSHOJDFOP-SNVBAGLBSA-N 1 2 299.331 -1.577 20 0 CAADLO CC(=O)N(C)CC(=O)NC[C@@H](CO)[NH2+]Cc1nonc1C ZINC001403641087 889327783 /nfs/dbraw/zinc/32/77/83/889327783.db2.gz BUEXATSHOJDFOP-JTQLQIEISA-N 1 2 299.331 -1.577 20 0 CAADLO CO[C@@H](C)C(=O)NC[C@@H](CO)[NH2+]Cc1nncn1C ZINC001403643964 889328623 /nfs/dbraw/zinc/32/86/23/889328623.db2.gz JMXRVNPSKYFPBB-IUCAKERBSA-N 1 2 271.321 -1.583 20 0 CAADLO Cc1cc(C(=O)NC[C@H](CO)[NH2+]Cc2ncnn2C)on1 ZINC001403653569 889329614 /nfs/dbraw/zinc/32/96/14/889329614.db2.gz VDVJIPLXAOCHLU-SECBINFHSA-N 1 2 294.315 -1.008 20 0 CAADLO Cc1cc(C(=O)NC[C@@H](CO)[NH2+]Cc2ncnn2C)on1 ZINC001403653575 889329701 /nfs/dbraw/zinc/32/97/01/889329701.db2.gz VDVJIPLXAOCHLU-VIFPVBQESA-N 1 2 294.315 -1.008 20 0 CAADLO CCn1ncc(C[NH2+][C@@H](CO)CNC(=O)c2ncc[nH]2)n1 ZINC001403651844 889329809 /nfs/dbraw/zinc/32/98/09/889329809.db2.gz HLWGUXUKXHRTGY-SNVBAGLBSA-N 1 2 293.331 -1.098 20 0 CAADLO CCO[C@H](C)C(=O)NC[C@@H](CO)[NH2+]Cc1nnnn1C ZINC001403652483 889330020 /nfs/dbraw/zinc/33/00/20/889330020.db2.gz NBYIBLSCMIPNTI-BDAKNGLRSA-N 1 2 286.336 -1.798 20 0 CAADLO O=C(NC[C@@H](CO)[NH2+]Cc1ccon1)[C@@H]1COCCO1 ZINC001403649223 889331287 /nfs/dbraw/zinc/33/12/87/889331287.db2.gz JNPRVVDGIAYGDI-QWRGUYRKSA-N 1 2 285.300 -1.343 20 0 CAADLO Cn1nnnc1C[NH2+][C@@H](CO)CNC(=O)C1CCOCC1 ZINC001403651878 889332032 /nfs/dbraw/zinc/33/20/32/889332032.db2.gz OPRLTGRRKNLKOU-SNVBAGLBSA-N 1 2 298.347 -1.797 20 0 CAADLO Cn1cnc(C(=O)NC[C@H](CO)[NH2+]Cc2ccon2)n1 ZINC001403652047 889332120 /nfs/dbraw/zinc/33/21/20/889332120.db2.gz KWEDPSUTRVFHDO-SECBINFHSA-N 1 2 280.288 -1.316 20 0 CAADLO Cn1cnnc1C[NH2+][C@H](CO)CNC(=O)C1=COCCO1 ZINC001403654175 889332451 /nfs/dbraw/zinc/33/24/51/889332451.db2.gz QNNNKJCIXRNZDG-VIFPVBQESA-N 1 2 297.315 -1.730 20 0 CAADLO Cn1ncc(C[NH2+][C@H](CO)CNC(=O)C2CCOCC2)n1 ZINC001403651853 889333173 /nfs/dbraw/zinc/33/31/73/889333173.db2.gz ONUHHUASLMSEHH-LBPRGKRZSA-N 1 2 297.359 -1.192 20 0 CAADLO Cn1cc(C[NH2+][C@@H](CO)CNC(=O)C2CCOCC2)nn1 ZINC001403661015 889334788 /nfs/dbraw/zinc/33/47/88/889334788.db2.gz YMRNMMVVNMBQNX-GFCCVEGCSA-N 1 2 297.359 -1.192 20 0 CAADLO Cc1nonc1C[NH2+][C@H](CO)CNC(=O)[C@@H]1CCOC1 ZINC001403662348 889336010 /nfs/dbraw/zinc/33/60/10/889336010.db2.gz ZVCNHXIYLDRYDR-ZJUUUORDSA-N 1 2 284.316 -1.019 20 0 CAADLO Cn1[nH]c(C[NH2+][C@H](CO)CNC(=O)C(C)(C)F)nc1=O ZINC001403660797 889336532 /nfs/dbraw/zinc/33/65/32/889336532.db2.gz XWYLYWVKYAAUJY-ZETCQYMHSA-N 1 2 289.311 -1.577 20 0 CAADLO Cn1cc(C[NH2+][C@H](CO)CNC(=O)C2CCOCC2)nn1 ZINC001403661032 889336570 /nfs/dbraw/zinc/33/65/70/889336570.db2.gz YMRNMMVVNMBQNX-LBPRGKRZSA-N 1 2 297.359 -1.192 20 0 CAADLO Cc1nonc1C[NH2+][C@@H](CO)CNC(=O)c1cnnn1C ZINC001403659360 889337450 /nfs/dbraw/zinc/33/74/50/889337450.db2.gz FMSOHIXCWUAYBB-MRVPVSSYSA-N 1 2 295.303 -1.613 20 0 CAADLO Cn1ccc(C[NH2+][C@@H](CO)CNC(=O)c2cn[nH]n2)n1 ZINC001403657953 889337649 /nfs/dbraw/zinc/33/76/49/889337649.db2.gz AGEOPVPNJXFXDC-SECBINFHSA-N 1 2 279.304 -1.581 20 0 CAADLO Cn1nnnc1C[NH2+][C@H](CO)CNC(=O)[C@@H]1CCCOC1 ZINC001403670903 889339971 /nfs/dbraw/zinc/33/99/71/889339971.db2.gz DYSVTSVCNQKJQW-ZJUUUORDSA-N 1 2 298.347 -1.797 20 0 CAADLO CCO[C@H](C)C(=O)NC[C@H](CO)[NH2+]Cc1cn(C)nn1 ZINC001403665173 889340601 /nfs/dbraw/zinc/34/06/01/889340601.db2.gz WZFPDTUDMRYSBH-MWLCHTKSSA-N 1 2 285.348 -1.193 20 0 CAADLO CC(C)CNC(=O)C[N@H+](C)CCNC(=O)[C@@H]1CNC(=O)N1 ZINC001403671793 889343449 /nfs/dbraw/zinc/34/34/49/889343449.db2.gz NPTWRMSXPXPYIK-JTQLQIEISA-N 1 2 299.375 -1.512 20 0 CAADLO CC(C)CNC(=O)C[N@@H+](C)CCNC(=O)[C@@H]1CNC(=O)N1 ZINC001403671793 889343461 /nfs/dbraw/zinc/34/34/61/889343461.db2.gz NPTWRMSXPXPYIK-JTQLQIEISA-N 1 2 299.375 -1.512 20 0 CAADLO CC(C)CNC(=O)C[N@H+](C)CCNC(=O)[C@H]1CNC(=O)N1 ZINC001403671809 889345398 /nfs/dbraw/zinc/34/53/98/889345398.db2.gz NPTWRMSXPXPYIK-SNVBAGLBSA-N 1 2 299.375 -1.512 20 0 CAADLO CC(C)CNC(=O)C[N@@H+](C)CCNC(=O)[C@H]1CNC(=O)N1 ZINC001403671809 889345409 /nfs/dbraw/zinc/34/54/09/889345409.db2.gz NPTWRMSXPXPYIK-SNVBAGLBSA-N 1 2 299.375 -1.512 20 0 CAADLO C[N@H+](CCNC(=O)[C@H]1C[C@H]1C(N)=O)CC(=O)NC1CC1 ZINC001403690662 889348667 /nfs/dbraw/zinc/34/86/67/889348667.db2.gz XYTCJBPEYBVPAK-ZJUUUORDSA-N 1 2 282.344 -1.566 20 0 CAADLO C[N@@H+](CCNC(=O)[C@H]1C[C@H]1C(N)=O)CC(=O)NC1CC1 ZINC001403690662 889348671 /nfs/dbraw/zinc/34/86/71/889348671.db2.gz XYTCJBPEYBVPAK-ZJUUUORDSA-N 1 2 282.344 -1.566 20 0 CAADLO NC(=O)[C@@H]1C[C@@H]1C(=O)NC[C@@H](CO)[NH2+]Cc1ccon1 ZINC001403694449 889349042 /nfs/dbraw/zinc/34/90/42/889349042.db2.gz BNYFGPCWGFGQPY-AEJSXWLSSA-N 1 2 282.300 -1.637 20 0 CAADLO Cn1cnnc1C[NH2+][C@@H](CO)CNC(=O)c1csnn1 ZINC001403686021 889349269 /nfs/dbraw/zinc/34/92/69/889349269.db2.gz AIPIWEBYNGFLPV-SSDOTTSWSA-N 1 2 297.344 -1.453 20 0 CAADLO C[C@@]1(C(=O)NC[C@@H](CO)[NH2+]Cc2ccon2)CCC(=O)N1 ZINC001403708300 889352167 /nfs/dbraw/zinc/35/21/67/889352167.db2.gz WSQIGDXSYMMLJA-GWCFXTLKSA-N 1 2 296.327 -1.090 20 0 CAADLO C[C@@]1(C(=O)NC[C@H](CO)[NH2+]Cc2ccon2)CCC(=O)N1 ZINC001403708313 889353078 /nfs/dbraw/zinc/35/30/78/889353078.db2.gz WSQIGDXSYMMLJA-MFKMUULPSA-N 1 2 296.327 -1.090 20 0 CAADLO C[C@H]([NH2+][C@H](CO)CNC(=O)c1cnco1)c1nnnn1C ZINC001403700107 889354560 /nfs/dbraw/zinc/35/45/60/889354560.db2.gz RCMQEMVYPVMEMZ-YUMQZZPRSA-N 1 2 295.303 -1.360 20 0 CAADLO CC(C)[C@H](F)C(=O)NC[C@@H](CO)[NH2+]Cc1nnnn1C ZINC001403712376 889356104 /nfs/dbraw/zinc/35/61/04/889356104.db2.gz TUVQLOBJIJVGGS-WPRPVWTQSA-N 1 2 288.327 -1.229 20 0 CAADLO Cc1cnoc1C(=O)NC[C@H](CO)[NH2+]Cc1cn(C)nn1 ZINC001403719158 889356489 /nfs/dbraw/zinc/35/64/89/889356489.db2.gz FLJWZCQJNYUEDD-SNVBAGLBSA-N 1 2 294.315 -1.008 20 0 CAADLO Cn1ncc(C(=O)NCC[N@H+](C)CC(=O)NC2CC2)n1 ZINC001403710796 889358185 /nfs/dbraw/zinc/35/81/85/889358185.db2.gz DBPVHPKPACIJIK-UHFFFAOYSA-N 1 2 280.332 -1.245 20 0 CAADLO Cn1ncc(C(=O)NCC[N@@H+](C)CC(=O)NC2CC2)n1 ZINC001403710796 889358191 /nfs/dbraw/zinc/35/81/91/889358191.db2.gz DBPVHPKPACIJIK-UHFFFAOYSA-N 1 2 280.332 -1.245 20 0 CAADLO Cc1nnc(C[NH2+][C@H](CO)CNC(=O)c2ncccn2)[nH]1 ZINC001403709813 889358911 /nfs/dbraw/zinc/35/89/11/889358911.db2.gz DRDVQANQDOPTOP-VIFPVBQESA-N 1 2 291.315 -1.216 20 0 CAADLO Cn1cnnc1C[NH2+][C@@H](CO)CNC(=O)Cn1cncn1 ZINC001403727066 889360191 /nfs/dbraw/zinc/36/01/91/889360191.db2.gz OJYWUBQOSNHALU-SECBINFHSA-N 1 2 294.319 -2.327 20 0 CAADLO CN(C)C(=O)CCCC(=O)NCC[N@H+](C)CC(N)=O ZINC001403743749 889360401 /nfs/dbraw/zinc/36/04/01/889360401.db2.gz RNFQVOGSYFSALI-UHFFFAOYSA-N 1 2 272.349 -1.222 20 0 CAADLO CN(C)C(=O)CCCC(=O)NCC[N@@H+](C)CC(N)=O ZINC001403743749 889360418 /nfs/dbraw/zinc/36/04/18/889360418.db2.gz RNFQVOGSYFSALI-UHFFFAOYSA-N 1 2 272.349 -1.222 20 0 CAADLO Cn1nnc(CN[C@H](CO)CNC(=O)Cn2cc[nH+]c2)n1 ZINC001403735711 889360551 /nfs/dbraw/zinc/36/05/51/889360551.db2.gz DHTHKLHXFWIOJV-VIFPVBQESA-N 1 2 294.319 -2.327 20 0 CAADLO O=C(NC[C@H](CO)[NH2+]Cc1ccon1)[C@@H]1CCC(=O)N1 ZINC001403732425 889363123 /nfs/dbraw/zinc/36/31/23/889363123.db2.gz URFWDJQIKIMVHG-ZJUUUORDSA-N 1 2 282.300 -1.480 20 0 CAADLO CC(=O)N[C@@H](C(=O)NCC[N@H+](C)CC(N)=O)C(C)C ZINC001403746916 889364280 /nfs/dbraw/zinc/36/42/80/889364280.db2.gz FKLAINQMUACDHE-LLVKDONJSA-N 1 2 272.349 -1.320 20 0 CAADLO CC(=O)N[C@@H](C(=O)NCC[N@@H+](C)CC(N)=O)C(C)C ZINC001403746916 889364286 /nfs/dbraw/zinc/36/42/86/889364286.db2.gz FKLAINQMUACDHE-LLVKDONJSA-N 1 2 272.349 -1.320 20 0 CAADLO CN(C)S(=O)(=O)CCC(=O)NCC[N@H+](C)CC(N)=O ZINC001403785524 889365693 /nfs/dbraw/zinc/36/56/93/889365693.db2.gz NMXOXONBYGGVSJ-UHFFFAOYSA-N 1 2 294.377 -2.199 20 0 CAADLO CN(C)S(=O)(=O)CCC(=O)NCC[N@@H+](C)CC(N)=O ZINC001403785524 889365707 /nfs/dbraw/zinc/36/57/07/889365707.db2.gz NMXOXONBYGGVSJ-UHFFFAOYSA-N 1 2 294.377 -2.199 20 0 CAADLO Cn1nnnc1C[NH2+][C@H](CO)CNC(=O)Cc1ccc[nH]1 ZINC001403747039 889365967 /nfs/dbraw/zinc/36/59/67/889365967.db2.gz VBWJJFSAIAHQPL-JTQLQIEISA-N 1 2 293.331 -1.652 20 0 CAADLO CN(CCNC(=O)Cn1cc[nH+]c1)Cc1nc(=O)n(C)[nH]1 ZINC001403799646 889366035 /nfs/dbraw/zinc/36/60/35/889366035.db2.gz NTRBSJIOLLIIRX-UHFFFAOYSA-N 1 2 293.331 -1.447 20 0 CAADLO Cc1nonc1CN[C@@H](CO)CNC(=O)Cn1cc[nH+]c1 ZINC001403745839 889367183 /nfs/dbraw/zinc/36/71/83/889367183.db2.gz LZTBEAORIAWHAR-SNVBAGLBSA-N 1 2 294.315 -1.159 20 0 CAADLO CNC(=O)C[NH2+][C@@H]1CCN(C(=O)Cc2ncn[nH]2)[C@H]1C ZINC001403780819 889367716 /nfs/dbraw/zinc/36/77/16/889367716.db2.gz XXYNBJBMMUIWPL-DTWKUNHWSA-N 1 2 280.332 -1.328 20 0 CAADLO CN(C[C@H](O)C[NH2+]Cc1cnn(C)n1)C(=O)c1ccn[nH]1 ZINC001403818369 889372292 /nfs/dbraw/zinc/37/22/92/889372292.db2.gz BQWGVMICOYPEFA-SNVBAGLBSA-N 1 2 293.331 -1.239 20 0 CAADLO COCC[N@H+](CCNC(=O)c1cnn(C)n1)[C@H](C)C(N)=O ZINC001403974782 889388108 /nfs/dbraw/zinc/38/81/08/889388108.db2.gz RXVDCBOLSHDOPR-SECBINFHSA-N 1 2 298.347 -1.633 20 0 CAADLO COCC[N@@H+](CCNC(=O)c1cnn(C)n1)[C@H](C)C(N)=O ZINC001403974782 889388120 /nfs/dbraw/zinc/38/81/20/889388120.db2.gz RXVDCBOLSHDOPR-SECBINFHSA-N 1 2 298.347 -1.633 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)CCc2cnn[nH]2)C1 ZINC001404082426 889396782 /nfs/dbraw/zinc/39/67/82/889396782.db2.gz OGSNHXHLCGGHCY-JTQLQIEISA-N 1 2 294.359 -1.079 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](CNC(=O)CCc2cnn[nH]2)C1 ZINC001404082426 889396796 /nfs/dbraw/zinc/39/67/96/889396796.db2.gz OGSNHXHLCGGHCY-JTQLQIEISA-N 1 2 294.359 -1.079 20 0 CAADLO CC(=O)N(C)CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC(N)=O ZINC001404387668 889403492 /nfs/dbraw/zinc/40/34/92/889403492.db2.gz PTCMXQXVXTVQPS-PHIMTYICSA-N 1 2 282.344 -1.375 20 0 CAADLO CC(=O)N(C)CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(N)=O ZINC001404387668 889403511 /nfs/dbraw/zinc/40/35/11/889403511.db2.gz PTCMXQXVXTVQPS-PHIMTYICSA-N 1 2 282.344 -1.375 20 0 CAADLO CCCN(C(=O)CNC(=O)NC)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001404451264 889409384 /nfs/dbraw/zinc/40/93/84/889409384.db2.gz PRUCFDPUDFJOAB-JTQLQIEISA-N 1 2 299.375 -1.286 20 0 CAADLO CCCN(C(=O)CNC(=O)NC)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001404451264 889409397 /nfs/dbraw/zinc/40/93/97/889409397.db2.gz PRUCFDPUDFJOAB-JTQLQIEISA-N 1 2 299.375 -1.286 20 0 CAADLO CN(CC[NH+]1CCN(CC(N)=O)CC1)C(=O)[C@H]1CCCO1 ZINC001404535045 889409857 /nfs/dbraw/zinc/40/98/57/889409857.db2.gz VNMDVXNSLSNZRD-GFCCVEGCSA-N 1 2 298.387 -1.273 20 0 CAADLO CC(=O)NCC(=O)NC1C[NH+](C[C@@H]2CCc3ncnn32)C1 ZINC001404709823 889412101 /nfs/dbraw/zinc/41/21/01/889412101.db2.gz LVNCYBOKEWPFQL-NSHDSACASA-N 1 2 292.343 -1.298 20 0 CAADLO COC[C@H](O)C[NH+]1CC(NC(=O)CNC(=O)C2CC2)C1 ZINC001404723721 889412317 /nfs/dbraw/zinc/41/23/17/889412317.db2.gz LAHJYTXEWYKTLQ-LLVKDONJSA-N 1 2 285.344 -1.680 20 0 CAADLO CNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H](COC)OC)C1 ZINC001404668768 889412447 /nfs/dbraw/zinc/41/24/47/889412447.db2.gz ONFXMFFXRYTIPC-GHMZBOCLSA-N 1 2 287.360 -1.026 20 0 CAADLO CNC(=O)C[N@H+]1CCC[C@@H](NC(=O)[C@@H](COC)OC)C1 ZINC001404668768 889412460 /nfs/dbraw/zinc/41/24/60/889412460.db2.gz ONFXMFFXRYTIPC-GHMZBOCLSA-N 1 2 287.360 -1.026 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(NC(=O)[C@@H]2CCN(C)C(=O)C2)C1 ZINC001404786969 889414267 /nfs/dbraw/zinc/41/42/67/889414267.db2.gz RLLBTTOEMCCZEM-PWSUYJOCSA-N 1 2 299.371 -1.338 20 0 CAADLO CCC(=O)N[C@H](C)C(=O)NC1C[NH+](C[C@@H](O)COC)C1 ZINC001404763335 889415031 /nfs/dbraw/zinc/41/50/31/889415031.db2.gz CYBJYSVEUFMFHU-MWLCHTKSSA-N 1 2 287.360 -1.291 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(NC(=O)C[C@@H]2CCC(=O)N2)C1 ZINC001404808057 889415211 /nfs/dbraw/zinc/41/52/11/889415211.db2.gz GAZYYQQXWLBWAK-ONGXEEELSA-N 1 2 285.344 -1.537 20 0 CAADLO CNC(=O)NC(=O)CN1CC(NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001404801069 889415276 /nfs/dbraw/zinc/41/52/76/889415276.db2.gz VAWOVLCSYKOLQD-UHFFFAOYSA-N 1 2 294.315 -1.792 20 0 CAADLO COC[C@H](O)C[NH+]1CC(NC(=O)C[C@@H]2CCC(=O)N2)C1 ZINC001404808018 889415548 /nfs/dbraw/zinc/41/55/48/889415548.db2.gz GAZYYQQXWLBWAK-GXSJLCMTSA-N 1 2 285.344 -1.537 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(NC(=O)c2ccn(C)c(=O)c2)C1 ZINC001404791043 889415783 /nfs/dbraw/zinc/41/57/83/889415783.db2.gz WOCKCLWRVAVLTR-LBPRGKRZSA-N 1 2 295.339 -1.193 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(NC(=O)C[C@H]2CCNC2=O)C1 ZINC001404767490 889415940 /nfs/dbraw/zinc/41/59/40/889415940.db2.gz HJJBABVCOXWQSI-KOLCDFICSA-N 1 2 285.344 -1.680 20 0 CAADLO C[C@@H](C(=O)NC(N)=O)[NH+]1CC(CNC(=O)c2ccon2)C1 ZINC001404853935 889417239 /nfs/dbraw/zinc/41/72/39/889417239.db2.gz HLLRJEZBIMHBBR-ZETCQYMHSA-N 1 2 295.299 -1.080 20 0 CAADLO C[C@@H](C(N)=O)[NH+]1CC(CNC(=O)CCc2nnc[nH]2)C1 ZINC001404870127 889417297 /nfs/dbraw/zinc/41/72/97/889417297.db2.gz XWUIGGSZZRUPSH-QMMMGPOBSA-N 1 2 280.332 -1.341 20 0 CAADLO NC(=O)C[NH+]1CC(CNC(=O)CC2OCCCO2)C1 ZINC001404867932 889417513 /nfs/dbraw/zinc/41/75/13/889417513.db2.gz PNVQRXDAFUADJT-UHFFFAOYSA-N 1 2 271.317 -1.327 20 0 CAADLO Cc1ncoc1C(=O)NCC1C[NH+](CC(=O)NC(N)=O)C1 ZINC001404862122 889417630 /nfs/dbraw/zinc/41/76/30/889417630.db2.gz FGUYAJYJJYEPOK-UHFFFAOYSA-N 1 2 295.299 -1.160 20 0 CAADLO CCNC(=O)C[NH+]1CC(CNC(=O)[C@@H]2CCNC(=O)C2)C1 ZINC001404860791 889417897 /nfs/dbraw/zinc/41/78/97/889417897.db2.gz AJEBXNGCSBSAHA-LLVKDONJSA-N 1 2 296.371 -1.303 20 0 CAADLO Cc1[nH+]c[nH]c1CC(=O)NC1CN(CC(=O)NC(N)=O)C1 ZINC001404843693 889418127 /nfs/dbraw/zinc/41/81/27/889418127.db2.gz TYNBARJLCMXVQQ-UHFFFAOYSA-N 1 2 294.315 -1.744 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(NC(=O)c2cn(C)c(=O)n2C)C1 ZINC001404843961 889418206 /nfs/dbraw/zinc/41/82/06/889418206.db2.gz DQTHYYZPKUAGFB-JTQLQIEISA-N 1 2 298.343 -1.855 20 0 CAADLO CNC(=O)NC(=O)C[NH+]1CC(CNC(=O)[C@H]2CCCO2)C1 ZINC001404857925 889418252 /nfs/dbraw/zinc/41/82/52/889418252.db2.gz ZMTFKWROOZNECO-SNVBAGLBSA-N 1 2 298.343 -1.331 20 0 CAADLO O=C(Cn1cnnn1)NCC1C[NH+]([C@H]2CCNC2=O)C1 ZINC001404851585 889418376 /nfs/dbraw/zinc/41/83/76/889418376.db2.gz JOKSGGFJYGLUAU-VIFPVBQESA-N 1 2 279.304 -2.390 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(NC(=O)c2cncc(OC)n2)C1 ZINC001404813363 889418479 /nfs/dbraw/zinc/41/84/79/889418479.db2.gz XCIDEGPPWIAUSR-JTQLQIEISA-N 1 2 296.327 -1.094 20 0 CAADLO NC(=O)NC(=O)C[NH+]1CC(CNC(=O)c2cncnc2)C1 ZINC001404864144 889418973 /nfs/dbraw/zinc/41/89/73/889418973.db2.gz FZRYKZHZBSQKHL-UHFFFAOYSA-N 1 2 292.299 -1.667 20 0 CAADLO C[C@@H](CC(N)=O)C(=O)NCC1C[NH+]([C@@H]2CCNC2=O)C1 ZINC001404898453 889420307 /nfs/dbraw/zinc/42/03/07/889420307.db2.gz IKJQXQYEDDQDHT-WCBMZHEXSA-N 1 2 282.344 -1.566 20 0 CAADLO CN1CCN(CC(=O)NCC2C[NH+](CC(N)=O)C2)CC1=O ZINC001404889922 889420353 /nfs/dbraw/zinc/42/03/53/889420353.db2.gz JLEQWJIOWSTGBW-UHFFFAOYSA-N 1 2 297.359 -2.706 20 0 CAADLO CCNC(=O)CCC(=O)NCC1C[NH+](CC(N)=O)C1 ZINC001404878342 889420416 /nfs/dbraw/zinc/42/04/16/889420416.db2.gz SDAOAPPKFJPGPH-UHFFFAOYSA-N 1 2 270.333 -1.564 20 0 CAADLO Cn1nnc(CN2CC(CNC(=O)Cc3[nH]cc[nH+]3)C2)n1 ZINC001404934159 889421065 /nfs/dbraw/zinc/42/10/65/889421065.db2.gz SLNGNENLDHWHJM-UHFFFAOYSA-N 1 2 290.331 -1.276 20 0 CAADLO C[C@H](C(=O)NC(N)=O)[NH+]1CC(CNC(=O)[C@@H]2CCOC2)C1 ZINC001404881092 889420881 /nfs/dbraw/zinc/42/08/81/889420881.db2.gz USBMKEBARBUSLX-PSASIEDQSA-N 1 2 298.343 -1.346 20 0 CAADLO CCC(=O)NCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@@H](C)C(=O)NC ZINC001404946622 889420968 /nfs/dbraw/zinc/42/09/68/889420968.db2.gz GORGOANOQSWOCA-DCAQKATOSA-N 1 2 296.371 -1.068 20 0 CAADLO CCC(=O)NCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2[C@@H](C)C(=O)NC ZINC001404946622 889420978 /nfs/dbraw/zinc/42/09/78/889420978.db2.gz GORGOANOQSWOCA-DCAQKATOSA-N 1 2 296.371 -1.068 20 0 CAADLO C[C@@H](O)C[NH+]1CC(CNC(=O)[C@H](C)S(C)(=O)=O)C1 ZINC001404885844 889421240 /nfs/dbraw/zinc/42/12/40/889421240.db2.gz CQFQTTFBVDRYCU-BDAKNGLRSA-N 1 2 278.374 -1.152 20 0 CAADLO C[C@H](CC(N)=O)C(=O)NCC1C[NH+]([C@@H]2CCNC2=O)C1 ZINC001404898427 889421343 /nfs/dbraw/zinc/42/13/43/889421343.db2.gz IKJQXQYEDDQDHT-PSASIEDQSA-N 1 2 282.344 -1.566 20 0 CAADLO CCNC(=O)C[NH+]1CC(CNC(=O)[C@H](C)CC(N)=O)C1 ZINC001404906085 889421427 /nfs/dbraw/zinc/42/14/27/889421427.db2.gz WQAQHJULSZYRRQ-SECBINFHSA-N 1 2 284.360 -1.318 20 0 CAADLO Cc1nnc(CC(=O)NCC2C[NH+](CC(=O)N(C)C)C2)[nH]1 ZINC001404873321 889421623 /nfs/dbraw/zinc/42/16/23/889421623.db2.gz LINOEGXHACLYQR-UHFFFAOYSA-N 1 2 294.359 -1.208 20 0 CAADLO C[C@H](NC(N)=O)C(=O)NCC1C[NH+]([C@@H]2CCNC2=O)C1 ZINC001404871994 889421636 /nfs/dbraw/zinc/42/16/36/889421636.db2.gz ZLEFIMGGNZKVSC-IONNQARKSA-N 1 2 283.332 -2.020 20 0 CAADLO C[C@H](C(N)=O)[NH+]1CC(CNC(=O)C[C@@H]2CCC(=O)N2)C1 ZINC001404907840 889421649 /nfs/dbraw/zinc/42/16/49/889421649.db2.gz FSEQYYXPWZVZEJ-SCZZXKLOSA-N 1 2 282.344 -1.423 20 0 CAADLO Cc1conc1C(=O)NCC1C[NH+](CC(=O)NC(N)=O)C1 ZINC001404929333 889421706 /nfs/dbraw/zinc/42/17/06/889421706.db2.gz ITTWHZJJJLLKBV-UHFFFAOYSA-N 1 2 295.299 -1.160 20 0 CAADLO CNC(=O)NCCC(=O)NCC1C[NH+]([C@H]2CCNC2=O)C1 ZINC001404873278 889421907 /nfs/dbraw/zinc/42/19/07/889421907.db2.gz ZEIWQRUFKAFDHD-JTQLQIEISA-N 1 2 297.359 -1.758 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CNC(=O)OC ZINC001404944921 889421925 /nfs/dbraw/zinc/42/19/25/889421925.db2.gz CQWMIKLNCYCNQP-GUBZILKMSA-N 1 2 298.343 -1.238 20 0 CAADLO CNC(=O)[C@H](C)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CNC(=O)OC ZINC001404944921 889421927 /nfs/dbraw/zinc/42/19/27/889421927.db2.gz CQWMIKLNCYCNQP-GUBZILKMSA-N 1 2 298.343 -1.238 20 0 CAADLO NC(=O)NC(=O)C[NH+]1CC(CNC(=O)[C@]23C[C@H]2COC3)C1 ZINC001404919660 889421936 /nfs/dbraw/zinc/42/19/36/889421936.db2.gz BFKNSHLRIZCSRJ-ZANVPECISA-N 1 2 296.327 -1.734 20 0 CAADLO CCNC(=O)C[NH+]1CC(CNC(=O)Cc2nc[nH]n2)C1 ZINC001404935266 889422145 /nfs/dbraw/zinc/42/21/45/889422145.db2.gz OEQKKGKFLOJLIU-UHFFFAOYSA-N 1 2 280.332 -1.469 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CNC(=O)OC ZINC001404944924 889422180 /nfs/dbraw/zinc/42/21/80/889422180.db2.gz CQWMIKLNCYCNQP-UTLUCORTSA-N 1 2 298.343 -1.238 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CNC(=O)OC ZINC001404944924 889422185 /nfs/dbraw/zinc/42/21/85/889422185.db2.gz CQWMIKLNCYCNQP-UTLUCORTSA-N 1 2 298.343 -1.238 20 0 CAADLO C[C@@H](C(N)=O)[NH+]1CC(CNC(=O)CCNC(N)=O)C1 ZINC001404954028 889422214 /nfs/dbraw/zinc/42/22/14/889422214.db2.gz WCJYDMZJSRLODF-ZETCQYMHSA-N 1 2 271.321 -2.033 20 0 CAADLO Cc1ccn(CC(=O)NCC2C[NH+](CC(N)=O)C2)c(=O)c1 ZINC001404895590 889422231 /nfs/dbraw/zinc/42/22/31/889422231.db2.gz WZDKSRSWQONAIA-UHFFFAOYSA-N 1 2 292.339 -1.310 20 0 CAADLO CCC(=O)NCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@H](C)C(=O)NC ZINC001404946626 889422318 /nfs/dbraw/zinc/42/23/18/889422318.db2.gz GORGOANOQSWOCA-VWYCJHECSA-N 1 2 296.371 -1.068 20 0 CAADLO CCC(=O)NCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2[C@H](C)C(=O)NC ZINC001404946626 889422322 /nfs/dbraw/zinc/42/23/22/889422322.db2.gz GORGOANOQSWOCA-VWYCJHECSA-N 1 2 296.371 -1.068 20 0 CAADLO C[C@@H](C(=O)NC(N)=O)[NH+]1CC(CNC(=O)[C@H]2CCOC2)C1 ZINC001404881099 889422345 /nfs/dbraw/zinc/42/23/45/889422345.db2.gz USBMKEBARBUSLX-WPRPVWTQSA-N 1 2 298.343 -1.346 20 0 CAADLO NC(=O)NC(=O)C[NH+]1CC(CNC(=O)Cn2cncn2)C1 ZINC001404947688 889422542 /nfs/dbraw/zinc/42/25/42/889422542.db2.gz FHUUALDGTMWBMR-UHFFFAOYSA-N 1 2 295.303 -2.479 20 0 CAADLO NC(=O)NC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC(=O)N2)C1 ZINC001404990209 889425001 /nfs/dbraw/zinc/42/50/01/889425001.db2.gz UMRNIEAWIKJTPZ-JGVFFNPUSA-N 1 2 297.315 -2.350 20 0 CAADLO NC(=O)NC(=O)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCC(=O)N2)C1 ZINC001404990209 889425009 /nfs/dbraw/zinc/42/50/09/889425009.db2.gz UMRNIEAWIKJTPZ-JGVFFNPUSA-N 1 2 297.315 -2.350 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCCC(N)=O ZINC001404991691 889425247 /nfs/dbraw/zinc/42/52/47/889425247.db2.gz WQHCRSRQAYPZOD-UTLUCORTSA-N 1 2 282.344 -1.199 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCCC(N)=O ZINC001404991691 889425259 /nfs/dbraw/zinc/42/52/59/889425259.db2.gz WQHCRSRQAYPZOD-UTLUCORTSA-N 1 2 282.344 -1.199 20 0 CAADLO CN(C(=O)[C@@H]1CCCO1)[C@H]1CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001405091451 889428676 /nfs/dbraw/zinc/42/86/76/889428676.db2.gz ARLMURBDOQFEBT-UWVGGRQHSA-N 1 2 298.343 -1.107 20 0 CAADLO CN(C(=O)[C@@H]1CCCO1)[C@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001405091451 889428678 /nfs/dbraw/zinc/42/86/78/889428678.db2.gz ARLMURBDOQFEBT-UWVGGRQHSA-N 1 2 298.343 -1.107 20 0 CAADLO CN(C(=O)[C@@H]1CCCO1)[C@@H]1CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001405091456 889429712 /nfs/dbraw/zinc/42/97/12/889429712.db2.gz ARLMURBDOQFEBT-ZJUUUORDSA-N 1 2 298.343 -1.107 20 0 CAADLO CN(C(=O)[C@@H]1CCCO1)[C@@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001405091456 889429717 /nfs/dbraw/zinc/42/97/17/889429717.db2.gz ARLMURBDOQFEBT-ZJUUUORDSA-N 1 2 298.343 -1.107 20 0 CAADLO O=C(Cc1c[nH]c[nH+]1)N[C@@H](CO)CNC(=O)C(F)F ZINC001405193066 889431650 /nfs/dbraw/zinc/43/16/50/889431650.db2.gz RTOCWNIDMWOWNG-SSDOTTSWSA-N 1 2 276.243 -1.189 20 0 CAADLO COCCC(=O)NC[C@H](CO)NC(=O)Cc1[nH]c[nH+]c1C ZINC001405194713 889432090 /nfs/dbraw/zinc/43/20/90/889432090.db2.gz VAUOFPXSVPVWNF-SNVBAGLBSA-N 1 2 298.343 -1.110 20 0 CAADLO COCCC(=O)NC[C@@H](CO)NC(=O)Cc1[nH]c[nH+]c1C ZINC001405194710 889432515 /nfs/dbraw/zinc/43/25/15/889432515.db2.gz VAUOFPXSVPVWNF-JTQLQIEISA-N 1 2 298.343 -1.110 20 0 CAADLO CC[C@H](CNC(=O)[C@H]1COCCO1)[NH2+]Cc1nnn(C)n1 ZINC001405210050 889433889 /nfs/dbraw/zinc/43/38/89/889433889.db2.gz SKYPJQMHNBXRJT-NXEZZACHSA-N 1 2 298.347 -1.390 20 0 CAADLO CC[C@@H](CNC(=O)[C@H]1COCCO1)[NH2+]Cc1nnn(C)n1 ZINC001405210070 889435092 /nfs/dbraw/zinc/43/50/92/889435092.db2.gz SKYPJQMHNBXRJT-VHSXEESVSA-N 1 2 298.347 -1.390 20 0 CAADLO O=C(Cn1cc[nH+]c1)N[C@H](CO)CNC(=O)c1cn[nH]c1 ZINC001405233341 889439554 /nfs/dbraw/zinc/43/95/54/889439554.db2.gz NHWJCEDVBNZYIP-JTQLQIEISA-N 1 2 292.299 -1.487 20 0 CAADLO CC[C@H](CNC(=O)c1cn[nH]n1)[NH2+]Cc1nnnn1C ZINC001405268705 889443608 /nfs/dbraw/zinc/44/36/08/889443608.db2.gz ORTKWXDJKVLXBZ-SSDOTTSWSA-N 1 2 279.308 -1.374 20 0 CAADLO CC[C@H](CNC(=O)c1cnn[nH]1)[NH2+]Cc1nnnn1C ZINC001405268705 889443618 /nfs/dbraw/zinc/44/36/18/889443618.db2.gz ORTKWXDJKVLXBZ-SSDOTTSWSA-N 1 2 279.308 -1.374 20 0 CAADLO CO[C@H](C)C(=O)N[C@@H](CO)CNC(=O)CCc1c[nH+]c[nH]1 ZINC001405299030 889446928 /nfs/dbraw/zinc/44/69/28/889446928.db2.gz GFJZEDBHGGLYMF-MWLCHTKSSA-N 1 2 298.343 -1.030 20 0 CAADLO CO[C@H](C)C(=O)N[C@@H](CO)CNC(=O)CCc1c[nH]c[nH+]1 ZINC001405299030 889446925 /nfs/dbraw/zinc/44/69/25/889446925.db2.gz GFJZEDBHGGLYMF-MWLCHTKSSA-N 1 2 298.343 -1.030 20 0 CAADLO CC(C)[C@@H](O)C(=O)N[C@H](CO)CNC(=O)Cn1cc[nH+]c1 ZINC001405311675 889449900 /nfs/dbraw/zinc/44/99/00/889449900.db2.gz VAAIHWCDAOXBAW-CMPLNLGQSA-N 1 2 298.343 -1.507 20 0 CAADLO CC(C)[C@@H](O)C(=O)N[C@@H](CO)CNC(=O)Cn1cc[nH+]c1 ZINC001405311679 889450459 /nfs/dbraw/zinc/45/04/59/889450459.db2.gz VAAIHWCDAOXBAW-ZYHUDNBSSA-N 1 2 298.343 -1.507 20 0 CAADLO O=C(Cc1c[nH]c[nH+]1)NC[C@@H](CO)NC(=O)[C@@H]1CCCO1 ZINC001405399796 889455097 /nfs/dbraw/zinc/45/50/97/889455097.db2.gz IGMLQJJONDMUIE-QWRGUYRKSA-N 1 2 296.327 -1.276 20 0 CAADLO CC[C@@H](OC)C(=O)N[C@H](CO)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001405388716 889455149 /nfs/dbraw/zinc/45/51/49/889455149.db2.gz MIVRXWBGDOZQDS-VHSXEESVSA-N 1 2 298.343 -1.030 20 0 CAADLO CC[C@@H](OC)C(=O)N[C@@H](CO)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001405388709 889455157 /nfs/dbraw/zinc/45/51/57/889455157.db2.gz MIVRXWBGDOZQDS-NXEZZACHSA-N 1 2 298.343 -1.030 20 0 CAADLO O=C(Cc1c[nH]c[nH+]1)NC[C@H](CO)NC(=O)[C@@H]1CCCO1 ZINC001405399784 889456167 /nfs/dbraw/zinc/45/61/67/889456167.db2.gz IGMLQJJONDMUIE-MNOVXSKESA-N 1 2 296.327 -1.276 20 0 CAADLO COCC(=O)N(C)C[C@@H](O)CNC(=O)CCc1c[nH]c[nH+]1 ZINC001405577100 889460873 /nfs/dbraw/zinc/46/08/73/889460873.db2.gz ZFUKWHXVVMNTBF-NSHDSACASA-N 1 2 298.343 -1.076 20 0 CAADLO COCC(=O)N(C)C[C@@H](O)CNC(=O)CCc1c[nH+]c[nH]1 ZINC001405577100 889460883 /nfs/dbraw/zinc/46/08/83/889460883.db2.gz ZFUKWHXVVMNTBF-NSHDSACASA-N 1 2 298.343 -1.076 20 0 CAADLO C[C@H]([NH2+]C[C@H]1CCCN1C(=O)Cc1ncn[nH]1)C(N)=O ZINC001405595704 889460954 /nfs/dbraw/zinc/46/09/54/889460954.db2.gz WOBZVKAFZBAKEJ-DTWKUNHWSA-N 1 2 280.332 -1.198 20 0 CAADLO O=C(CCn1cncn1)NC[C@H]1C[N@H+](CCO)CCO1 ZINC001405730941 889468867 /nfs/dbraw/zinc/46/88/67/889468867.db2.gz NEICOZJIBARHTF-NSHDSACASA-N 1 2 283.332 -1.523 20 0 CAADLO O=C(CCn1cncn1)NC[C@H]1C[N@@H+](CCO)CCO1 ZINC001405730941 889468875 /nfs/dbraw/zinc/46/88/75/889468875.db2.gz NEICOZJIBARHTF-NSHDSACASA-N 1 2 283.332 -1.523 20 0 CAADLO CNC(=O)[C@@H](C)[NH2+]C[C@@H](C)N(C)C(=O)Cc1ncn[nH]1 ZINC001405889945 889470699 /nfs/dbraw/zinc/47/06/99/889470699.db2.gz RKMGSGUMIJLWRA-RKDXNWHRSA-N 1 2 282.348 -1.082 20 0 CAADLO C[C@H](C[NH2+]CC(=O)N(C)C)N(C)C(=O)Cc1ncn[nH]1 ZINC001405876165 889471040 /nfs/dbraw/zinc/47/10/40/889471040.db2.gz BFRVZQXTMYNKGZ-SECBINFHSA-N 1 2 282.348 -1.128 20 0 CAADLO CNC(=O)[C@H](C)[NH2+]C[C@H](C)N(C)C(=O)Cc1ncn[nH]1 ZINC001405889935 889471844 /nfs/dbraw/zinc/47/18/44/889471844.db2.gz RKMGSGUMIJLWRA-IUCAKERBSA-N 1 2 282.348 -1.082 20 0 CAADLO CN(CC[N@H+](C)CC(N)=O)C(=O)[C@H]1CCN(C)C(=O)C1 ZINC001406119964 889473959 /nfs/dbraw/zinc/47/39/59/889473959.db2.gz UBTHSYIXTOBOKN-JTQLQIEISA-N 1 2 284.360 -1.270 20 0 CAADLO CN(CC[N@@H+](C)CC(N)=O)C(=O)[C@H]1CCN(C)C(=O)C1 ZINC001406119964 889473966 /nfs/dbraw/zinc/47/39/66/889473966.db2.gz UBTHSYIXTOBOKN-JTQLQIEISA-N 1 2 284.360 -1.270 20 0 CAADLO Cc1noc(C[NH2+]C[C@H](O)CNC(=O)c2cnn(C)c2)n1 ZINC001406185590 889479787 /nfs/dbraw/zinc/47/97/87/889479787.db2.gz NZYNTXUBTXYYJQ-JTQLQIEISA-N 1 2 294.315 -1.008 20 0 CAADLO Cc1noc(C[NH2+]C[C@@H](O)CNC(=O)Cn2cccn2)n1 ZINC001406194648 889482376 /nfs/dbraw/zinc/48/23/76/889482376.db2.gz ZULKZSRCTQCPMG-SNVBAGLBSA-N 1 2 294.315 -1.159 20 0 CAADLO CO[C@@H](C)C(=O)NC[C@@H](O)C[NH2+]Cc1nc(C)no1 ZINC001406197895 889482862 /nfs/dbraw/zinc/48/28/62/889482862.db2.gz AUYOVDANPUEBQV-CBAPKCEASA-N 1 2 272.305 -1.020 20 0 CAADLO NC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@H]1CCCc2[nH]ncc21 ZINC001406208537 889484856 /nfs/dbraw/zinc/48/48/56/889484856.db2.gz GOEXOYOMZFZDGC-IUCAKERBSA-N 1 2 295.343 -1.618 20 0 CAADLO Cc1nnc(C[NH2+]C[C@H](O)CNC(=O)[C@@H]2COC(=O)N2)o1 ZINC001406210030 889485245 /nfs/dbraw/zinc/48/52/45/889485245.db2.gz IAOIDXDTWVSWDP-YUMQZZPRSA-N 1 2 299.287 -1.947 20 0 CAADLO NC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCCc2[nH]ncc21 ZINC001406208522 889485532 /nfs/dbraw/zinc/48/55/32/889485532.db2.gz GOEXOYOMZFZDGC-BDAKNGLRSA-N 1 2 295.343 -1.618 20 0 CAADLO Cc1nnc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2COC(=O)N2)o1 ZINC001406210004 889485579 /nfs/dbraw/zinc/48/55/79/889485579.db2.gz IAOIDXDTWVSWDP-SFYZADRCSA-N 1 2 299.287 -1.947 20 0 CAADLO Cc1nnc(C[NH2+]C[C@@H](O)CNC(=O)[C@H]2COC(=O)N2)o1 ZINC001406209944 889486726 /nfs/dbraw/zinc/48/67/26/889486726.db2.gz IAOIDXDTWVSWDP-HTQZYQBOSA-N 1 2 299.287 -1.947 20 0 CAADLO Cc1noc(C[NH2+]C[C@H](O)CNC(=O)Cc2cc[nH]n2)n1 ZINC001406219963 889489945 /nfs/dbraw/zinc/48/99/45/889489945.db2.gz USXHIGKWHVEQCX-JTQLQIEISA-N 1 2 294.315 -1.089 20 0 CAADLO Cc1nnc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2CCC(=O)N2)o1 ZINC001406287052 889505864 /nfs/dbraw/zinc/50/58/64/889505864.db2.gz MLUPOSXDUYDQGC-BDAKNGLRSA-N 1 2 297.315 -1.777 20 0 CAADLO Cc1ncoc1C[NH2+]C[C@@H](O)CNC(=O)c1ncn[nH]1 ZINC001406288892 889506905 /nfs/dbraw/zinc/50/69/05/889506905.db2.gz ZRIDCCISGHWBLE-MRVPVSSYSA-N 1 2 280.288 -1.018 20 0 CAADLO Cc1ncoc1C[NH2+]C[C@@H](O)CNC(=O)c1nc[nH]n1 ZINC001406288892 889506913 /nfs/dbraw/zinc/50/69/13/889506913.db2.gz ZRIDCCISGHWBLE-MRVPVSSYSA-N 1 2 280.288 -1.018 20 0 CAADLO O=C(NC[C@H](O)C[NH2+]Cc1cnsn1)c1cnon1 ZINC001406282985 889507714 /nfs/dbraw/zinc/50/77/14/889507714.db2.gz SCNGGHZYTANDKO-SSDOTTSWSA-N 1 2 284.301 -1.198 20 0 CAADLO CCN(C)C(=O)C[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1COC(=O)N1 ZINC001406826686 889537356 /nfs/dbraw/zinc/53/73/56/889537356.db2.gz DESZHYAATPVOEF-NXEZZACHSA-N 1 2 298.343 -1.236 20 0 CAADLO CCN(C)C(=O)C[N@H+]1CC[C@@H]1CNC(=O)[C@H]1COC(=O)N1 ZINC001406826686 889537367 /nfs/dbraw/zinc/53/73/67/889537367.db2.gz DESZHYAATPVOEF-NXEZZACHSA-N 1 2 298.343 -1.236 20 0 CAADLO COCC(=O)NC[C@H]1CC[N@@H+]1CCN(C)S(C)(=O)=O ZINC001406818291 889538232 /nfs/dbraw/zinc/53/82/32/889538232.db2.gz XIJCKFGIFKUUDO-SNVBAGLBSA-N 1 2 293.389 -1.285 20 0 CAADLO COCC(=O)NC[C@H]1CC[N@H+]1CCN(C)S(C)(=O)=O ZINC001406818291 889538245 /nfs/dbraw/zinc/53/82/45/889538245.db2.gz XIJCKFGIFKUUDO-SNVBAGLBSA-N 1 2 293.389 -1.285 20 0 CAADLO O=C(CN1CCOCC1)NC[C@@H]1CC[N@@H+]1[C@@H]1CCNC1=O ZINC001406845064 889540453 /nfs/dbraw/zinc/54/04/53/889540453.db2.gz JXBBZWKRCZYMGJ-NWDGAFQWSA-N 1 2 296.371 -1.602 20 0 CAADLO O=C(CN1CCOCC1)NC[C@@H]1CC[N@H+]1[C@@H]1CCNC1=O ZINC001406845064 889540463 /nfs/dbraw/zinc/54/04/63/889540463.db2.gz JXBBZWKRCZYMGJ-NWDGAFQWSA-N 1 2 296.371 -1.602 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CC[C@H]1CNC(=O)CCn1ccnn1 ZINC001406838087 889540500 /nfs/dbraw/zinc/54/05/00/889540500.db2.gz OECZZLKIPPGQJA-ZJUUUORDSA-N 1 2 280.332 -1.268 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CC[C@H]1CNC(=O)CCn1ccnn1 ZINC001406838087 889540508 /nfs/dbraw/zinc/54/05/08/889540508.db2.gz OECZZLKIPPGQJA-ZJUUUORDSA-N 1 2 280.332 -1.268 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CC[C@@H]1CNC(=O)CCn1ccnn1 ZINC001406837989 889542731 /nfs/dbraw/zinc/54/27/31/889542731.db2.gz OECZZLKIPPGQJA-NXEZZACHSA-N 1 2 280.332 -1.268 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CC[C@@H]1CNC(=O)CCn1ccnn1 ZINC001406837989 889542736 /nfs/dbraw/zinc/54/27/36/889542736.db2.gz OECZZLKIPPGQJA-NXEZZACHSA-N 1 2 280.332 -1.268 20 0 CAADLO Cn1ncnc1C[NH2+]C1(CNC(=O)[C@H]2COCCO2)CC1 ZINC001406898573 889546980 /nfs/dbraw/zinc/54/69/80/889546980.db2.gz AKPNJFJEMKPJRE-SNVBAGLBSA-N 1 2 295.343 -1.031 20 0 CAADLO CC(C)[C@@H](O)C(=O)NCC1([NH2+]Cc2nnnn2C)CC1 ZINC001406925296 889547276 /nfs/dbraw/zinc/54/72/76/889547276.db2.gz VBLDMEUGZYLDNB-SNVBAGLBSA-N 1 2 282.348 -1.035 20 0 CAADLO COC[C@H](O)C[NH+]1CC(N(C)C(=O)[C@@H](C)NC(C)=O)C1 ZINC001407032547 889548670 /nfs/dbraw/zinc/54/86/70/889548670.db2.gz CJUWYMMOPWNNRE-BXKDBHETSA-N 1 2 287.360 -1.339 20 0 CAADLO Cn1cc(C[NH2+]C2(CNC(=O)c3cn[nH]n3)CC2)nn1 ZINC001406956847 889550175 /nfs/dbraw/zinc/55/01/75/889550175.db2.gz NBNGGAFMFLKJOZ-UHFFFAOYSA-N 1 2 276.304 -1.015 20 0 CAADLO COC[C@H](O)C[NH+]1CC(N(C)C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001407061822 889551903 /nfs/dbraw/zinc/55/19/03/889551903.db2.gz WJIZVTNZKVYAIR-ZJUUUORDSA-N 1 2 286.332 -2.182 20 0 CAADLO COCC(=O)N(C)CC(=O)N(C)C1C[NH+](CCO)C1 ZINC001407063751 889552107 /nfs/dbraw/zinc/55/21/07/889552107.db2.gz YXNHXBADLSSKRZ-UHFFFAOYSA-N 1 2 273.333 -1.774 20 0 CAADLO C[C@@H](CC(N)=O)C(=O)N(C)C1C[NH+](CCn2cncn2)C1 ZINC001407066444 889552285 /nfs/dbraw/zinc/55/22/85/889552285.db2.gz VWAOLLQPJMHFLI-JTQLQIEISA-N 1 2 294.359 -1.068 20 0 CAADLO CCS(=O)(=O)N[C@H](C)C(=O)N(C)C1C[NH+](CCO)C1 ZINC001407059565 889552394 /nfs/dbraw/zinc/55/23/94/889552394.db2.gz WOWLTWGZXKLFBV-SECBINFHSA-N 1 2 293.389 -1.551 20 0 CAADLO CCS(=O)(=O)N[C@@H](C)C(=O)N(C)C1C[NH+](CCO)C1 ZINC001407059568 889552681 /nfs/dbraw/zinc/55/26/81/889552681.db2.gz WOWLTWGZXKLFBV-VIFPVBQESA-N 1 2 293.389 -1.551 20 0 CAADLO COC[C@H](O)C[NH+]1CC(N(C)C(=O)[C@H](C)NC(N)=O)C1 ZINC001407054017 889552738 /nfs/dbraw/zinc/55/27/38/889552738.db2.gz LIBRLVKCDAFPBI-WCBMZHEXSA-N 1 2 288.348 -1.807 20 0 CAADLO COCC[NH+]1CC(N(C)C(=O)CN(C)S(C)(=O)=O)C1 ZINC001407063393 889553193 /nfs/dbraw/zinc/55/31/93/889553193.db2.gz XIKGRCIXIWWSPQ-UHFFFAOYSA-N 1 2 293.389 -1.333 20 0 CAADLO COC[C@H](O)C[NH+]1CC(N(C)C(=O)[C@H]2CNC(=O)N2)C1 ZINC001407061801 889552925 /nfs/dbraw/zinc/55/29/25/889552925.db2.gz WJIZVTNZKVYAIR-NXEZZACHSA-N 1 2 286.332 -2.182 20 0 CAADLO CN(C(=O)CCn1ncn(C)c1=O)C1C[NH+](CCO)C1 ZINC001407059543 889553359 /nfs/dbraw/zinc/55/33/59/889553359.db2.gz RAICFXDFQGVUKV-UHFFFAOYSA-N 1 2 283.332 -1.893 20 0 CAADLO CNC(=O)C[NH2+]C[C@]1(C)CCN(C(=O)Cc2ncn[nH]2)C1 ZINC001407231196 889557430 /nfs/dbraw/zinc/55/74/30/889557430.db2.gz HNHWJANUXXMJIA-ZDUSSCGKSA-N 1 2 294.359 -1.079 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)CCc2cn[nH]n2)C1 ZINC001407353780 889559392 /nfs/dbraw/zinc/55/93/92/889559392.db2.gz OXIAMUQUYUOCHJ-LBPRGKRZSA-N 1 2 296.331 -2.224 20 0 CAADLO NC(=O)C[N@H+]1CC[C@](O)(CNC(=O)CCc2cn[nH]n2)C1 ZINC001407353780 889559399 /nfs/dbraw/zinc/55/93/99/889559399.db2.gz OXIAMUQUYUOCHJ-LBPRGKRZSA-N 1 2 296.331 -2.224 20 0 CAADLO COC[C@@H](C)[NH+]1CC(O)(CNC(=O)CN2CCCC2=O)C1 ZINC001407383207 889564848 /nfs/dbraw/zinc/56/48/48/889564848.db2.gz MHSVPXGRHBSCMJ-LLVKDONJSA-N 1 2 299.371 -1.193 20 0 CAADLO CC(=O)NCC(=O)NCC1(O)C[NH+](C[C@@H]2CC[C@@H](C)O2)C1 ZINC001407383095 889566316 /nfs/dbraw/zinc/56/63/16/889566316.db2.gz PKPNLTCQSSEEIR-PWSUYJOCSA-N 1 2 299.371 -1.147 20 0 CAADLO CC(=O)NCC(=O)NCC1(O)C[NH+](C[C@H]2CC[C@@H](C)O2)C1 ZINC001407383097 889566452 /nfs/dbraw/zinc/56/64/52/889566452.db2.gz PKPNLTCQSSEEIR-ZYHUDNBSSA-N 1 2 299.371 -1.147 20 0 CAADLO COC[C@H](O)C[NH+]1CC(O)(CNC(=O)c2cnccn2)C1 ZINC001407370012 889566907 /nfs/dbraw/zinc/56/69/07/889566907.db2.gz FAESUVVKZDMALS-SNVBAGLBSA-N 1 2 296.327 -1.740 20 0 CAADLO COC[C@@H](C)[NH+]1CC(O)(CNC(=O)c2ccc(=O)[nH]n2)C1 ZINC001407388500 889568887 /nfs/dbraw/zinc/56/88/87/889568887.db2.gz ZJUDZPMGYRIEKC-SECBINFHSA-N 1 2 296.327 -1.006 20 0 CAADLO COC[C@H](C)[NH+]1CC(O)(CNC(=O)c2ccc(=O)[nH]n2)C1 ZINC001407388501 889569057 /nfs/dbraw/zinc/56/90/57/889569057.db2.gz ZJUDZPMGYRIEKC-VIFPVBQESA-N 1 2 296.327 -1.006 20 0 CAADLO COCCC(=O)NCC1(O)C[NH+](C[C@@H](O)COC)C1 ZINC001407389750 889569203 /nfs/dbraw/zinc/56/92/03/889569203.db2.gz YQIZUNJTXOEIBR-SNVBAGLBSA-N 1 2 276.333 -1.807 20 0 CAADLO CC[C@@H](C[NH+]1CC(O)(CNC(=O)Cn2ncnn2)C1)OC ZINC001407402623 889569854 /nfs/dbraw/zinc/56/98/54/889569854.db2.gz ACWNMYDPBXEXNU-JTQLQIEISA-N 1 2 298.347 -1.739 20 0 CAADLO O=C(NCC1(O)C[NH+](CCCO)C1)C1=CCOCC1 ZINC001407401413 889570312 /nfs/dbraw/zinc/57/03/12/889570312.db2.gz JWPOZRIACAFUBF-UHFFFAOYSA-N 1 2 270.329 -1.122 20 0 CAADLO CC[NH+]1CC(O)(CNC(=O)CNC(=O)N2CCCC2)C1 ZINC001407411989 889572062 /nfs/dbraw/zinc/57/20/62/889572062.db2.gz UGRDYWCXEQSFPY-UHFFFAOYSA-N 1 2 284.360 -1.025 20 0 CAADLO COC[C@H](C)[NH+]1CC(O)(CNC(=O)[C@@H]2COC(=O)N2)C1 ZINC001407404623 889572198 /nfs/dbraw/zinc/57/21/98/889572198.db2.gz NCEJBKBKCPGELP-IUCAKERBSA-N 1 2 287.316 -1.707 20 0 CAADLO Cc1cc(OCC(=O)NCC2(O)C[NH+](CCCO)C2)no1 ZINC001407417741 889572515 /nfs/dbraw/zinc/57/25/15/889572515.db2.gz WYPLROFSOIHXMW-UHFFFAOYSA-N 1 2 299.327 -1.093 20 0 CAADLO COC[C@@H](C)[NH+]1CC(O)(CNC(=O)[C@@H]2COC(=O)N2)C1 ZINC001407404167 889572791 /nfs/dbraw/zinc/57/27/91/889572791.db2.gz NCEJBKBKCPGELP-BDAKNGLRSA-N 1 2 287.316 -1.707 20 0 CAADLO CC[NH+]1CC(O)(CNC(=O)CCn2ncn(C)c2=O)C1 ZINC001407412312 889572806 /nfs/dbraw/zinc/57/28/06/889572806.db2.gz MURGPQMVVYWNRE-UHFFFAOYSA-N 1 2 283.332 -1.845 20 0 CAADLO COC[C@@H](C)[NH+]1CC(O)(CNC(=O)[C@H]2COC(=O)N2)C1 ZINC001407404624 889573064 /nfs/dbraw/zinc/57/30/64/889573064.db2.gz NCEJBKBKCPGELP-RKDXNWHRSA-N 1 2 287.316 -1.707 20 0 CAADLO CO[C@H](C)C[NH+]1CC(O)(CNC(=O)c2ncn(C)n2)C1 ZINC001407403745 889573249 /nfs/dbraw/zinc/57/32/49/889573249.db2.gz HKCGPPNQGBGNHY-SECBINFHSA-N 1 2 283.332 -1.374 20 0 CAADLO NC(=O)c1cc(C(=O)NCC2(O)C[NH+](CCCO)C2)co1 ZINC001407414367 889573722 /nfs/dbraw/zinc/57/37/22/889573722.db2.gz UKGMEMAKLHELDN-UHFFFAOYSA-N 1 2 297.311 -1.463 20 0 CAADLO Cc1nn(C)cc1CC(=O)NCC1(O)C[NH+](C[C@@H](C)O)C1 ZINC001407403332 889574302 /nfs/dbraw/zinc/57/43/02/889574302.db2.gz GHEHHCHCOJDRMD-SNVBAGLBSA-N 1 2 296.371 -1.185 20 0 CAADLO CC(=O)NCC(=O)N[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001407456366 889575672 /nfs/dbraw/zinc/57/56/72/889575672.db2.gz YLNZFTIZRFJKCK-LLVKDONJSA-N 1 2 293.327 -1.264 20 0 CAADLO C[C@H](O)C[NH+]1CC(O)(CNC(=O)CCc2cnn(C)n2)C1 ZINC001407433508 889576559 /nfs/dbraw/zinc/57/65/59/889576559.db2.gz XMNMUSCNCNXONQ-JTQLQIEISA-N 1 2 297.359 -1.709 20 0 CAADLO COCC[N@@H+]1CCO[C@H](CNC(=O)CNC(=O)C2CC2)C1 ZINC001407459263 889576594 /nfs/dbraw/zinc/57/65/94/889576594.db2.gz FZGXAGWWGPIQEC-GFCCVEGCSA-N 1 2 299.371 -1.024 20 0 CAADLO COCC[N@H+]1CCO[C@H](CNC(=O)CNC(=O)C2CC2)C1 ZINC001407459263 889576606 /nfs/dbraw/zinc/57/66/06/889576606.db2.gz FZGXAGWWGPIQEC-GFCCVEGCSA-N 1 2 299.371 -1.024 20 0 CAADLO Cc1nonc1CC(=O)NCC1(O)C[NH+](C[C@@H](C)O)C1 ZINC001407471736 889577016 /nfs/dbraw/zinc/57/70/16/889577016.db2.gz VSIHYCGTVNVXTA-MRVPVSSYSA-N 1 2 284.316 -1.536 20 0 CAADLO COC[C@@H](C)[NH+]1CC(O)(CNC(=O)[C@@H]2CCC(=O)N2C)C1 ZINC001407465616 889577195 /nfs/dbraw/zinc/57/71/95/889577195.db2.gz CDILEFCPGASPEI-MNOVXSKESA-N 1 2 299.371 -1.195 20 0 CAADLO CC[NH+]1CC(O)(CNC(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001407470961 889577297 /nfs/dbraw/zinc/57/72/97/889577297.db2.gz DYUYDWJOVLTXCF-MRVPVSSYSA-N 1 2 277.346 -2.139 20 0 CAADLO CCn1cc(CC(=O)NCC2(O)C[NH+](C[C@@H](C)O)C2)cn1 ZINC001407488152 889578694 /nfs/dbraw/zinc/57/86/94/889578694.db2.gz MAXJPTCVGLJKBW-LLVKDONJSA-N 1 2 296.371 -1.011 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(O)(CNC(=O)Cc2nc[nH]n2)C1 ZINC001407488133 889579264 /nfs/dbraw/zinc/57/92/64/889579264.db2.gz LVAYRXYOLVKZKM-VIFPVBQESA-N 1 2 299.331 -2.483 20 0 CAADLO CO[C@H](C)C[NH+]1CC(O)(CNC(=O)[C@@H]2CCC(=O)N2C)C1 ZINC001407493435 889579298 /nfs/dbraw/zinc/57/92/98/889579298.db2.gz QNCFQMBGWXBAMN-MNOVXSKESA-N 1 2 299.371 -1.195 20 0 CAADLO C[C@]1(C(=O)NC[C@H]2C[N@H+](CCO)CCO2)CCNC(=O)C1 ZINC001407492652 889579622 /nfs/dbraw/zinc/57/96/22/889579622.db2.gz NSUCRNLSLLDFGX-FZMZJTMJSA-N 1 2 299.371 -1.288 20 0 CAADLO C[C@]1(C(=O)NC[C@H]2C[N@@H+](CCO)CCO2)CCNC(=O)C1 ZINC001407492652 889579626 /nfs/dbraw/zinc/57/96/26/889579626.db2.gz NSUCRNLSLLDFGX-FZMZJTMJSA-N 1 2 299.371 -1.288 20 0 CAADLO COCC[NH+]1CC(O)(CNC(=O)c2cccn(C)c2=O)C1 ZINC001407478739 889579889 /nfs/dbraw/zinc/57/98/89/889579889.db2.gz KEOQGCUGHZRPID-UHFFFAOYSA-N 1 2 295.339 -1.192 20 0 CAADLO COC[C@@H](C)[NH+]1CC(O)(CNC(=O)c2nnn(C)n2)C1 ZINC001407507607 889580639 /nfs/dbraw/zinc/58/06/39/889580639.db2.gz XSGLPJAXPMHALT-MRVPVSSYSA-N 1 2 284.320 -1.979 20 0 CAADLO CCC(=O)N[C@]1(CO)CCC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001407590322 889582061 /nfs/dbraw/zinc/58/20/61/889582061.db2.gz XJUSEJDFWUQMBJ-GFCCVEGCSA-N 1 2 286.332 -1.466 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@](CO)(NC(=O)Cc2cc[nH]n2)C1 ZINC001407608916 889581720 /nfs/dbraw/zinc/58/17/20/889581720.db2.gz AHGUVNSLCUMRMX-ZDUSSCGKSA-N 1 2 295.343 -1.619 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@](CO)(NC(=O)Cc2cc[nH]n2)C1 ZINC001407608916 889581725 /nfs/dbraw/zinc/58/17/25/889581725.db2.gz AHGUVNSLCUMRMX-ZDUSSCGKSA-N 1 2 295.343 -1.619 20 0 CAADLO CCC(=O)N[C@]1(CO)CCC[N@H+](CC(=O)NC(N)=O)C1 ZINC001407590322 889582053 /nfs/dbraw/zinc/58/20/53/889582053.db2.gz XJUSEJDFWUQMBJ-GFCCVEGCSA-N 1 2 286.332 -1.466 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CCC[C@@](CO)(NC(=O)c2cn[nH]c2)C1 ZINC001407608524 889582119 /nfs/dbraw/zinc/58/21/19/889582119.db2.gz JJQBPWBOBAJECX-TVQRCGJNSA-N 1 2 295.343 -1.160 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CCC[C@@](CO)(NC(=O)c2cn[nH]c2)C1 ZINC001407608524 889582128 /nfs/dbraw/zinc/58/21/28/889582128.db2.gz JJQBPWBOBAJECX-TVQRCGJNSA-N 1 2 295.343 -1.160 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@](CO)(NC(=O)C2=COCCO2)C1 ZINC001407616171 889582167 /nfs/dbraw/zinc/58/21/67/889582167.db2.gz QBVLXPOWYPGWMF-ZDUSSCGKSA-N 1 2 299.327 -1.697 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@](CO)(NC(=O)C2=COCCO2)C1 ZINC001407616171 889582176 /nfs/dbraw/zinc/58/21/76/889582176.db2.gz QBVLXPOWYPGWMF-ZDUSSCGKSA-N 1 2 299.327 -1.697 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CCC[C@](CO)(NC(=O)c2cn[nH]c2)C1 ZINC001407608511 889583820 /nfs/dbraw/zinc/58/38/20/889583820.db2.gz JJQBPWBOBAJECX-RNCFNFMXSA-N 1 2 295.343 -1.160 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CCC[C@](CO)(NC(=O)c2cn[nH]c2)C1 ZINC001407608511 889583834 /nfs/dbraw/zinc/58/38/34/889583834.db2.gz JJQBPWBOBAJECX-RNCFNFMXSA-N 1 2 295.343 -1.160 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CCC[C@](CO)(NC(=O)c2cn[nH]c2)C1 ZINC001407608539 889584338 /nfs/dbraw/zinc/58/43/38/889584338.db2.gz JJQBPWBOBAJECX-ZANVPECISA-N 1 2 295.343 -1.160 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CCC[C@](CO)(NC(=O)c2cn[nH]c2)C1 ZINC001407608539 889584346 /nfs/dbraw/zinc/58/43/46/889584346.db2.gz JJQBPWBOBAJECX-ZANVPECISA-N 1 2 295.343 -1.160 20 0 CAADLO CN1CC(C(=O)N[C@]2(CO)CCC[N@H+](CCO)C2)=NC1=O ZINC001407643653 889584895 /nfs/dbraw/zinc/58/48/95/889584895.db2.gz CUAOFJBAJJBKTQ-CYBMUJFWSA-N 1 2 298.343 -1.325 20 0 CAADLO CN1CC(C(=O)N[C@]2(CO)CCC[N@@H+](CCO)C2)=NC1=O ZINC001407643653 889584906 /nfs/dbraw/zinc/58/49/06/889584906.db2.gz CUAOFJBAJJBKTQ-CYBMUJFWSA-N 1 2 298.343 -1.325 20 0 CAADLO O=C(C[C@H]1CCNC1=O)NC[C@H]1COCC[N@H+]1CCCO ZINC001407746384 889586564 /nfs/dbraw/zinc/58/65/64/889586564.db2.gz ZJIPWGDLIFSYAY-NEPJUHHUSA-N 1 2 299.371 -1.288 20 0 CAADLO O=C(C[C@H]1CCNC1=O)NC[C@H]1COCC[N@@H+]1CCCO ZINC001407746384 889586572 /nfs/dbraw/zinc/58/65/72/889586572.db2.gz ZJIPWGDLIFSYAY-NEPJUHHUSA-N 1 2 299.371 -1.288 20 0 CAADLO CCC(=O)NCC(=O)NC[C@H]1COCC[N@@H+]1C[C@H](C)O ZINC001407736351 889586594 /nfs/dbraw/zinc/58/65/94/889586594.db2.gz HGGPPSMZXVIJFA-QWRGUYRKSA-N 1 2 287.360 -1.290 20 0 CAADLO CCC(=O)NCC(=O)NC[C@H]1COCC[N@H+]1C[C@H](C)O ZINC001407736351 889586603 /nfs/dbraw/zinc/58/66/03/889586603.db2.gz HGGPPSMZXVIJFA-QWRGUYRKSA-N 1 2 287.360 -1.290 20 0 CAADLO C[C@H](O)C[N@@H+]1CCOC[C@H]1CNC(=O)CN1CCCC1=O ZINC001407728288 889586677 /nfs/dbraw/zinc/58/66/77/889586677.db2.gz VMNDVJPRSICHQG-NWDGAFQWSA-N 1 2 299.371 -1.193 20 0 CAADLO C[C@H](O)C[N@H+]1CCOC[C@H]1CNC(=O)CN1CCCC1=O ZINC001407728288 889586687 /nfs/dbraw/zinc/58/66/87/889586687.db2.gz VMNDVJPRSICHQG-NWDGAFQWSA-N 1 2 299.371 -1.193 20 0 CAADLO CCC(=O)NCC(=O)NC[C@@H]1COCC[N@@H+]1C[C@H](C)O ZINC001407736356 889587033 /nfs/dbraw/zinc/58/70/33/889587033.db2.gz HGGPPSMZXVIJFA-WDEREUQCSA-N 1 2 287.360 -1.290 20 0 CAADLO CCC(=O)NCC(=O)NC[C@@H]1COCC[N@H+]1C[C@H](C)O ZINC001407736356 889587038 /nfs/dbraw/zinc/58/70/38/889587038.db2.gz HGGPPSMZXVIJFA-WDEREUQCSA-N 1 2 287.360 -1.290 20 0 CAADLO C[C@@H](O)C[N@@H+]1CCOC[C@@H]1CNC(=O)CN1CCCC1=O ZINC001407728286 889587567 /nfs/dbraw/zinc/58/75/67/889587567.db2.gz VMNDVJPRSICHQG-NEPJUHHUSA-N 1 2 299.371 -1.193 20 0 CAADLO C[C@@H](O)C[N@H+]1CCOC[C@@H]1CNC(=O)CN1CCCC1=O ZINC001407728286 889587581 /nfs/dbraw/zinc/58/75/81/889587581.db2.gz VMNDVJPRSICHQG-NEPJUHHUSA-N 1 2 299.371 -1.193 20 0 CAADLO CCC(=O)NCC(=O)NC[C@@H]1COCC[N@@H+]1C[C@@H](C)O ZINC001407736342 889587818 /nfs/dbraw/zinc/58/78/18/889587818.db2.gz HGGPPSMZXVIJFA-GHMZBOCLSA-N 1 2 287.360 -1.290 20 0 CAADLO CCC(=O)NCC(=O)NC[C@@H]1COCC[N@H+]1C[C@@H](C)O ZINC001407736342 889587826 /nfs/dbraw/zinc/58/78/26/889587826.db2.gz HGGPPSMZXVIJFA-GHMZBOCLSA-N 1 2 287.360 -1.290 20 0 CAADLO O=C(C[C@@H]1CCNC1=O)NC[C@H]1COCC[N@H+]1CCCO ZINC001407746394 889588511 /nfs/dbraw/zinc/58/85/11/889588511.db2.gz ZJIPWGDLIFSYAY-RYUDHWBXSA-N 1 2 299.371 -1.288 20 0 CAADLO O=C(C[C@@H]1CCNC1=O)NC[C@H]1COCC[N@@H+]1CCCO ZINC001407746394 889588514 /nfs/dbraw/zinc/58/85/14/889588514.db2.gz ZJIPWGDLIFSYAY-RYUDHWBXSA-N 1 2 299.371 -1.288 20 0 CAADLO C[C@@H](CNC(=O)Cn1cc[nH+]c1)NC(=O)Cn1nccn1 ZINC001408225554 889605760 /nfs/dbraw/zinc/60/57/60/889605760.db2.gz RATQGPRXHHDLIR-JTQLQIEISA-N 1 2 291.315 -1.204 20 0 CAADLO CC[C@@H](OC)C(=O)NC1(CO)CC[NH+](CC(N)=O)CC1 ZINC001408264957 889607462 /nfs/dbraw/zinc/60/74/62/889607462.db2.gz JHZINZAMLUWENE-SNVBAGLBSA-N 1 2 287.360 -1.160 20 0 CAADLO C[C@H](CNC(=O)Cc1c[nH]c[nH+]1)NC(=O)[C@H]1C[C@H]1C(N)=O ZINC001408361352 889609898 /nfs/dbraw/zinc/60/98/98/889609898.db2.gz XWGQXOWIJKXQAQ-QNSHHTMESA-N 1 2 293.327 -1.306 20 0 CAADLO C[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)NC(=O)[C@@H]1CCC(=O)N1 ZINC001408360898 889610760 /nfs/dbraw/zinc/61/07/60/889610760.db2.gz KMRZGFVCQQBWHM-WPRPVWTQSA-N 1 2 293.327 -1.148 20 0 CAADLO CC(=O)NCC(=O)N[C@@H](C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001408360849 889611101 /nfs/dbraw/zinc/61/11/01/889611101.db2.gz JCNVBLFILMDBFT-QMMMGPOBSA-N 1 2 281.316 -1.291 20 0 CAADLO CN(CCNC(=O)c1ncn(C)n1)C(=O)Cn1cc[nH+]c1 ZINC001408562233 889613643 /nfs/dbraw/zinc/61/36/43/889613643.db2.gz QDAYCTMGJPWECW-UHFFFAOYSA-N 1 2 291.315 -1.100 20 0 CAADLO CN(CCNC(=O)[C@@H]1COC(=O)N1)C(=O)Cc1c[nH+]c[nH]1 ZINC001408560379 889614291 /nfs/dbraw/zinc/61/42/91/889614291.db2.gz UVOSADBZJDJGHS-VIFPVBQESA-N 1 2 295.299 -1.365 20 0 CAADLO CN(CCNC(=O)c1cn[nH]n1)C(=O)Cn1cc[nH+]c1 ZINC001408620736 889617310 /nfs/dbraw/zinc/61/73/10/889617310.db2.gz FRFPEVGAKSTLRS-UHFFFAOYSA-N 1 2 277.288 -1.110 20 0 CAADLO CNC(=O)NCC(=O)N1CC[NH+](CCN(C)C(C)=O)CC1 ZINC001408976767 889621466 /nfs/dbraw/zinc/62/14/66/889621466.db2.gz BYLJXIURQYBZOU-UHFFFAOYSA-N 1 2 299.375 -1.462 20 0 CAADLO COC[C@H](OC)C(=O)N1CC(NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001409096686 889627672 /nfs/dbraw/zinc/62/76/72/889627672.db2.gz GPLDEYAAIJZLAA-JTQLQIEISA-N 1 2 296.327 -1.059 20 0 CAADLO COC[C@H](OC)C(=O)NC1CN(C(=O)Cn2cc[nH+]c2)C1 ZINC001409105673 889629670 /nfs/dbraw/zinc/62/96/70/889629670.db2.gz CRRAIYTZXWEALZ-NSHDSACASA-N 1 2 296.327 -1.129 20 0 CAADLO COC[C@@H](OC)C(=O)N1CC(NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001409096687 889630546 /nfs/dbraw/zinc/63/05/46/889630546.db2.gz GPLDEYAAIJZLAA-SNVBAGLBSA-N 1 2 296.327 -1.059 20 0 CAADLO C[C@@H](NC(=O)c1cn[nH]n1)[C@@H](C)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001409386599 889634333 /nfs/dbraw/zinc/63/43/33/889634333.db2.gz SYUXXMJBFHIZOM-RNFRBKRXSA-N 1 2 294.319 -1.477 20 0 CAADLO C[C@@H](NC(=O)c1cnn[nH]1)[C@@H](C)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001409386599 889634342 /nfs/dbraw/zinc/63/43/42/889634342.db2.gz SYUXXMJBFHIZOM-RNFRBKRXSA-N 1 2 294.319 -1.477 20 0 CAADLO C[C@H](NC(=O)CCNC(N)=O)[C@H](C)[NH2+]Cc1nnn(C)n1 ZINC001409470329 889638474 /nfs/dbraw/zinc/63/84/74/889638474.db2.gz MGOLYYOONZZLSX-YUMQZZPRSA-N 1 2 298.351 -1.749 20 0 CAADLO Cn1cnc(C(=O)NC2(CCO)C[NH+](CCCO)C2)c1 ZINC001409705607 889642165 /nfs/dbraw/zinc/64/21/65/889642165.db2.gz GSOGSNLXHBHONL-UHFFFAOYSA-N 1 2 282.344 -1.031 20 0 CAADLO C[C@@H](O)C[NH+]1CC(CCO)(NC(=O)Cn2cccn2)C1 ZINC001409691585 889643037 /nfs/dbraw/zinc/64/30/37/889643037.db2.gz NOKRCXKSLMGKPC-LLVKDONJSA-N 1 2 282.344 -1.183 20 0 CAADLO O=C(Cn1ncnn1)NC1(CCO)C[NH+](CCCF)C1 ZINC001409703070 889643138 /nfs/dbraw/zinc/64/31/38/889643138.db2.gz SWBWLZYORRKCLF-UHFFFAOYSA-N 1 2 286.311 -1.414 20 0 CAADLO O=C(CCn1cncn1)NC1(CCO)C[NH+](CCO)C1 ZINC001409706697 889644524 /nfs/dbraw/zinc/64/45/24/889644524.db2.gz PYOPYHFUTBKNFS-UHFFFAOYSA-N 1 2 283.332 -1.787 20 0 CAADLO C[C@H](O)C[NH+]1CC(CCO)(NC(=O)Cc2cc[nH]n2)C1 ZINC001409719310 889644582 /nfs/dbraw/zinc/64/45/82/889644582.db2.gz IFIBTAWHOGHLNP-JTQLQIEISA-N 1 2 282.344 -1.114 20 0 CAADLO C[C@H](CC(N)=O)C(=O)NC1(CCO)C[NH+](C[C@H](C)O)C1 ZINC001409735758 889644595 /nfs/dbraw/zinc/64/45/95/889644595.db2.gz GVFXJQFASOVLOL-ZJUUUORDSA-N 1 2 287.360 -1.568 20 0 CAADLO C[C@@H](O)C[NH+]1CC(CCO)(NC(=O)c2cncn2C)C1 ZINC001409718391 889644708 /nfs/dbraw/zinc/64/47/08/889644708.db2.gz KUJVSTXXOFTLQT-SNVBAGLBSA-N 1 2 282.344 -1.033 20 0 CAADLO COC[C@H](C)[NH+]1CC(CCO)(NC(=O)[C@H]2CCC(=O)N2)C1 ZINC001409714460 889644922 /nfs/dbraw/zinc/64/49/22/889644922.db2.gz WKNZMUFCMBHACG-WDEREUQCSA-N 1 2 299.371 -1.147 20 0 CAADLO COC[C@@H](C)[NH+]1CC(CCO)(NC(=O)[C@H]2CCC(=O)N2)C1 ZINC001409714456 889644966 /nfs/dbraw/zinc/64/49/66/889644966.db2.gz WKNZMUFCMBHACG-GHMZBOCLSA-N 1 2 299.371 -1.147 20 0 CAADLO C[C@@H](O)C[NH+]1CC(CCO)(NC(=O)Cc2cc[nH]n2)C1 ZINC001409719356 889644975 /nfs/dbraw/zinc/64/49/75/889644975.db2.gz IFIBTAWHOGHLNP-SNVBAGLBSA-N 1 2 282.344 -1.114 20 0 CAADLO CC(=O)N1CC(C(=O)NC2(CCO)C[NH+](C[C@H](C)O)C2)C1 ZINC001409709228 889645058 /nfs/dbraw/zinc/64/50/58/889645058.db2.gz PNDCNRJZQVUMEK-JTQLQIEISA-N 1 2 299.371 -1.602 20 0 CAADLO C[C@H](O)C[NH+]1CC(CCO)(NC(=O)[C@@H](C)CC(N)=O)C1 ZINC001409735745 889645255 /nfs/dbraw/zinc/64/52/55/889645255.db2.gz GVFXJQFASOVLOL-UWVGGRQHSA-N 1 2 287.360 -1.568 20 0 CAADLO Cn1cnn(CC(=O)NC2(CCO)C[NH+](CCO)C2)c1=O ZINC001409713430 889645562 /nfs/dbraw/zinc/64/55/62/889645562.db2.gz FXYMZCYVIISSEF-UHFFFAOYSA-N 1 2 299.331 -2.873 20 0 CAADLO C[C@@H](O)C[NH+]1CC(CCO)(NC(=O)[C@H](C)CC(N)=O)C1 ZINC001409735739 889646011 /nfs/dbraw/zinc/64/60/11/889646011.db2.gz GVFXJQFASOVLOL-NXEZZACHSA-N 1 2 287.360 -1.568 20 0 CAADLO C[C@H](O)C[NH+]1CC(CCO)(NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001409744929 889646144 /nfs/dbraw/zinc/64/61/44/889646144.db2.gz JRQWYDIJOIAXAT-IUCAKERBSA-N 1 2 286.332 -2.398 20 0 CAADLO O=C(NC1(CCO)C[NH+](CCO)C1)c1c[nH]c(=O)cn1 ZINC001409746688 889646814 /nfs/dbraw/zinc/64/68/14/889646814.db2.gz OZWMVUVMIBUSQD-UHFFFAOYSA-N 1 2 282.300 -2.071 20 0 CAADLO CC[C@@H](NC(C)=O)C(=O)N[C@@H](C)C1C[NH+](CC(N)=O)C1 ZINC001409927242 889648882 /nfs/dbraw/zinc/64/88/82/889648882.db2.gz RABYVJBCWIMOFN-GZMMTYOYSA-N 1 2 284.360 -1.177 20 0 CAADLO CC1(C)C[N@H+](CC(N)=O)C[C@H]1NC(=O)CCNC(N)=O ZINC001410017140 889648053 /nfs/dbraw/zinc/64/80/53/889648053.db2.gz JCQZEWUNJPCEHF-MRVPVSSYSA-N 1 2 285.348 -1.643 20 0 CAADLO CC1(C)C[N@@H+](CC(N)=O)C[C@H]1NC(=O)CCNC(N)=O ZINC001410017140 889648064 /nfs/dbraw/zinc/64/80/64/889648064.db2.gz JCQZEWUNJPCEHF-MRVPVSSYSA-N 1 2 285.348 -1.643 20 0 CAADLO CNC(=O)C[NH+]1CC([C@@H](C)NC(=O)[C@H](COC)OC)C1 ZINC001409941490 889648355 /nfs/dbraw/zinc/64/83/55/889648355.db2.gz MVTPXZFIDORHGB-KOLCDFICSA-N 1 2 287.360 -1.170 20 0 CAADLO CCC(=O)NCC(=O)N[C@@H]1C[N@H+](CC(N)=O)CC1(C)C ZINC001410012646 889648834 /nfs/dbraw/zinc/64/88/34/889648834.db2.gz KYMMFFDBXODWNB-SECBINFHSA-N 1 2 284.360 -1.176 20 0 CAADLO CCC(=O)NCC(=O)N[C@@H]1C[N@@H+](CC(N)=O)CC1(C)C ZINC001410012646 889648844 /nfs/dbraw/zinc/64/88/44/889648844.db2.gz KYMMFFDBXODWNB-SECBINFHSA-N 1 2 284.360 -1.176 20 0 CAADLO C[C@@H](NC(=O)CCNC(N)=O)C1C[NH+](CC(N)=O)C1 ZINC001409970494 889649164 /nfs/dbraw/zinc/64/91/64/889649164.db2.gz HGUUNBPLMKMWSH-SSDOTTSWSA-N 1 2 271.321 -2.033 20 0 CAADLO CC[C@H](NC(C)=O)C(=O)N[C@H](C)C1C[NH+](CC(N)=O)C1 ZINC001409927257 889650365 /nfs/dbraw/zinc/65/03/65/889650365.db2.gz RABYVJBCWIMOFN-KCJUWKMLSA-N 1 2 284.360 -1.177 20 0 CAADLO CC(=O)NCC(=O)NC[C@H](O)CNC(=O)Cn1cc[nH+]c1 ZINC001410033104 889653318 /nfs/dbraw/zinc/65/33/18/889653318.db2.gz DTZHZNMRCUNCTR-JTQLQIEISA-N 1 2 297.315 -2.388 20 0 CAADLO Cn1c[nH+]cc1CC(=O)NC[C@H](O)CNC(=O)C(F)F ZINC001410068369 889654482 /nfs/dbraw/zinc/65/44/82/889654482.db2.gz QHADHQLDFXQSFK-QMMMGPOBSA-N 1 2 290.270 -1.179 20 0 CAADLO CO[C@H](C)C(=O)NC[C@H](O)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001410086824 889658963 /nfs/dbraw/zinc/65/89/63/889658963.db2.gz NSAWLGHRZGZXHU-RKDXNWHRSA-N 1 2 284.316 -1.420 20 0 CAADLO CC(=O)N(C)CC(=O)N[C@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001410169614 889665476 /nfs/dbraw/zinc/66/54/76/889665476.db2.gz RMLBCXOHGCHNJH-SNVBAGLBSA-N 1 2 295.343 -1.018 20 0 CAADLO CNC(=O)NCC(=O)N[C@@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001410388429 889674316 /nfs/dbraw/zinc/67/43/16/889674316.db2.gz IPDCBNZSIIRBSJ-VIFPVBQESA-N 1 2 296.331 -1.567 20 0 CAADLO COC(=O)NCC(=O)NC[C@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001410486444 889677061 /nfs/dbraw/zinc/67/70/61/889677061.db2.gz ZLDNWYPUUPVTRS-QMMMGPOBSA-N 1 2 297.315 -1.071 20 0 CAADLO C[C@@H](CNC(=O)[C@H]1C[C@H]1C(N)=O)NC(=O)Cc1c[nH]c[nH+]1 ZINC001410474822 889677289 /nfs/dbraw/zinc/67/72/89/889677289.db2.gz AESLZYBQMKZTBZ-SFGNSQDASA-N 1 2 293.327 -1.306 20 0 CAADLO CC(=O)N[C@H](C)C(=O)NC[C@@H](CO)[NH2+]Cc1nncn1C ZINC001410552313 889679642 /nfs/dbraw/zinc/67/96/42/889679642.db2.gz JVPWMCMXURPHGN-SCZZXKLOSA-N 1 2 298.347 -2.094 20 0 CAADLO Cn1ncc(C[NH2+][C@H](CO)CNC(=O)c2cnccn2)n1 ZINC001410561349 889679702 /nfs/dbraw/zinc/67/97/02/889679702.db2.gz QPIKSLSQQAQUKO-JTQLQIEISA-N 1 2 291.315 -1.514 20 0 CAADLO Cn1[nH]c(C[NH2+][C@@H](CO)CNC(=O)C2CCCC2)nc1=O ZINC001410554148 889679866 /nfs/dbraw/zinc/67/98/66/889679866.db2.gz MNKRNJJJFOGFIH-SNVBAGLBSA-N 1 2 297.359 -1.135 20 0 CAADLO CC(=O)N[C@H](C)C(=O)NC[C@H](CO)[NH2+]Cc1ncnn1C ZINC001410554153 889680560 /nfs/dbraw/zinc/68/05/60/889680560.db2.gz LLHSASJXNYXXIJ-PSASIEDQSA-N 1 2 298.347 -2.094 20 0 CAADLO CC(=O)NCC(=O)NC[C@@H](CO)[NH2+]Cc1ccon1 ZINC001410557505 889681090 /nfs/dbraw/zinc/68/10/90/889681090.db2.gz FFGJOQKEAYWTEQ-JTQLQIEISA-N 1 2 270.289 -1.623 20 0 CAADLO CC(=O)N[C@@H](C)C(=O)NC[C@H](CO)[NH2+]Cc1nncn1C ZINC001410552316 889681218 /nfs/dbraw/zinc/68/12/18/889681218.db2.gz JVPWMCMXURPHGN-WCBMZHEXSA-N 1 2 298.347 -2.094 20 0 CAADLO COCCC(=O)NC[C@@H](CO)[NH2+][C@@H](C)c1nnnn1C ZINC001410540230 889681440 /nfs/dbraw/zinc/68/14/40/889681440.db2.gz ZJYHOLMKWNJMRT-IUCAKERBSA-N 1 2 286.336 -1.626 20 0 CAADLO Cn1cc(C[NH2+][C@H](CO)CNC(=O)[C@@H]2CCCOC2)nn1 ZINC001410578165 889682742 /nfs/dbraw/zinc/68/27/42/889682742.db2.gz ILTCPDDSWDPYFD-PWSUYJOCSA-N 1 2 297.359 -1.192 20 0 CAADLO CC(=O)NCC(=O)NC[C@@H](CO)[NH2+]Cc1ncnn1C ZINC001410567312 889682829 /nfs/dbraw/zinc/68/28/29/889682829.db2.gz OCNAFXDDEJVHLL-VIFPVBQESA-N 1 2 284.320 -2.482 20 0 CAADLO Cn1cc(C[NH2+][C@@H](CO)CNC(=O)[C@H]2CCCOC2)nn1 ZINC001410578135 889683318 /nfs/dbraw/zinc/68/33/18/889683318.db2.gz ILTCPDDSWDPYFD-CMPLNLGQSA-N 1 2 297.359 -1.192 20 0 CAADLO CC(=O)NCC(=O)NC[C@H](CO)[NH2+]Cc1ncnn1C ZINC001410567302 889684072 /nfs/dbraw/zinc/68/40/72/889684072.db2.gz OCNAFXDDEJVHLL-SECBINFHSA-N 1 2 284.320 -2.482 20 0 CAADLO Cn1cc(C(=O)NC[C@H](CO)[NH2+]Cc2cnn(C)n2)cn1 ZINC001410572758 889684693 /nfs/dbraw/zinc/68/46/93/889684693.db2.gz MSSXRCDDAHFGGY-LLVKDONJSA-N 1 2 293.331 -1.571 20 0 CAADLO Cn1nnnc1C[NH2+][C@H](CO)CNC(=O)c1cncs1 ZINC001410586281 889685877 /nfs/dbraw/zinc/68/58/77/889685877.db2.gz QLBUTNAVJHKQGD-ZETCQYMHSA-N 1 2 297.344 -1.453 20 0 CAADLO Cc1nnc(C[NH2+][C@H](CO)CNC(=O)c2cnsn2)[nH]1 ZINC001410590219 889686118 /nfs/dbraw/zinc/68/61/18/889686118.db2.gz UBGCMJSPEICRPB-ZETCQYMHSA-N 1 2 297.344 -1.155 20 0 CAADLO CCC(=O)NCC(=O)NC[C@@H](CO)[NH2+]Cc1ncnn1C ZINC001410592693 889686352 /nfs/dbraw/zinc/68/63/52/889686352.db2.gz RBWAURAVTNKGNM-VIFPVBQESA-N 1 2 298.347 -2.092 20 0 CAADLO Cn1[nH]c(C[NH2+][C@H](CO)CNC(=O)C2=CCCC2)nc1=O ZINC001410581837 889686426 /nfs/dbraw/zinc/68/64/26/889686426.db2.gz BOLBYPJOIDJMQK-JTQLQIEISA-N 1 2 295.343 -1.215 20 0 CAADLO Cc1ocnc1C(=O)NC[C@@H](CO)[NH2+]Cc1nnnn1C ZINC001410583491 889686505 /nfs/dbraw/zinc/68/65/05/889686505.db2.gz MACWJYPVXKEGMF-QMMMGPOBSA-N 1 2 295.303 -1.613 20 0 CAADLO C[C@@H](C(=O)NC[C@@H](CO)[NH2+]Cc1nc(=O)n(C)[nH]1)C1CC1 ZINC001410585127 889686660 /nfs/dbraw/zinc/68/66/60/889686660.db2.gz SCPMDLPWKJKZAB-SCZZXKLOSA-N 1 2 297.359 -1.279 20 0 CAADLO CCC(=O)NCC(=O)NC[C@H](CO)[NH2+]Cc1cn(C)nn1 ZINC001410594294 889687063 /nfs/dbraw/zinc/68/70/63/889687063.db2.gz SSTBZULSGUOCDA-SNVBAGLBSA-N 1 2 298.347 -2.092 20 0 CAADLO COC[C@@H](C)C(=O)NC[C@H](CO)[NH2+]Cc1nncn1C ZINC001410587446 889687750 /nfs/dbraw/zinc/68/77/50/889687750.db2.gz PLDKTDIVWQVMQF-NXEZZACHSA-N 1 2 285.348 -1.336 20 0 CAADLO CCn1ncnc1C[NH2+][C@H](CO)CNC(=O)c1ncc[nH]1 ZINC001410612168 889689758 /nfs/dbraw/zinc/68/97/58/889689758.db2.gz DNGTZAPYGOATTC-VIFPVBQESA-N 1 2 293.331 -1.098 20 0 CAADLO C[C@H]([NH2+][C@@H](CO)CNC(=O)c1ncc[nH]1)c1nncn1C ZINC001410626840 889690940 /nfs/dbraw/zinc/69/09/40/889690940.db2.gz PVEYWAKNJBXQFM-DTWKUNHWSA-N 1 2 293.331 -1.020 20 0 CAADLO Cn1ncc(C[NH2+][C@H](CO)CNC(=O)[C@@H]2CCCOC2)n1 ZINC001410596864 889690986 /nfs/dbraw/zinc/69/09/86/889690986.db2.gz ZBAHOBDNYAUJLW-PWSUYJOCSA-N 1 2 297.359 -1.192 20 0 CAADLO Cn1ncc(C[NH2+][C@@H](CO)CNC(=O)[C@H]2COC(=O)N2)n1 ZINC001410625513 889691085 /nfs/dbraw/zinc/69/10/85/889691085.db2.gz DRPOWLAWHRCIIZ-RKDXNWHRSA-N 1 2 298.303 -2.510 20 0 CAADLO Cn1cc(C(=O)NC[C@@H](CO)[NH2+]Cc2nncn2C)nn1 ZINC001410630620 889691497 /nfs/dbraw/zinc/69/14/97/889691497.db2.gz IEPJDZHUJHYQLQ-QMMMGPOBSA-N 1 2 294.319 -2.176 20 0 CAADLO Cn1ncc(C[NH2+][C@H](CO)CNC(=O)[C@H]2CCCOC2)n1 ZINC001410596852 889691829 /nfs/dbraw/zinc/69/18/29/889691829.db2.gz ZBAHOBDNYAUJLW-JQWIXIFHSA-N 1 2 297.359 -1.192 20 0 CAADLO C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](CO)[NH2+]Cc1n[nH]c(=O)[n-]1 ZINC001410599799 889692110 /nfs/dbraw/zinc/69/21/10/889692110.db2.gz YTMXCVIFFCXHPW-DTWKUNHWSA-N 1 2 298.347 -1.829 20 0 CAADLO C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](CO)[NH2+]Cc1n[nH]c(=O)[n-]1 ZINC001410599799 889692116 /nfs/dbraw/zinc/69/21/16/889692116.db2.gz YTMXCVIFFCXHPW-DTWKUNHWSA-N 1 2 298.347 -1.829 20 0 CAADLO CCn1cc(C[NH2+][C@H](CO)CNC(=O)[C@H]2CCOC2)nn1 ZINC001410597622 889692164 /nfs/dbraw/zinc/69/21/64/889692164.db2.gz ZYGGVTJJHDVVMN-JQWIXIFHSA-N 1 2 297.359 -1.099 20 0 CAADLO C[C@@H]([NH2+][C@@H](CO)CNC(=O)c1ncc[nH]1)c1nncn1C ZINC001410626860 889692275 /nfs/dbraw/zinc/69/22/75/889692275.db2.gz PVEYWAKNJBXQFM-RKDXNWHRSA-N 1 2 293.331 -1.020 20 0 CAADLO Cn1cnnc1C[NH2+][C@H](CO)CNC(=O)c1cocn1 ZINC001410600290 889692362 /nfs/dbraw/zinc/69/23/62/889692362.db2.gz ZUKKHSDEBASQAM-QMMMGPOBSA-N 1 2 280.288 -1.316 20 0 CAADLO NC(=O)NCC(=O)N1CC[C@H]1CNC(=O)Cc1c[nH]c[nH+]1 ZINC001410644869 889695499 /nfs/dbraw/zinc/69/54/99/889695499.db2.gz DCCFPMGNGAOHGS-VIFPVBQESA-N 1 2 294.315 -1.662 20 0 CAADLO Cc1cc(C[NH2+][C@@H](CO)CNC(=O)c2cn(C)nn2)no1 ZINC001410645905 889695936 /nfs/dbraw/zinc/69/59/36/889695936.db2.gz RHKHLWWUWFDCLP-SNVBAGLBSA-N 1 2 294.315 -1.008 20 0 CAADLO Cc1ncc(C[NH2+][C@H](CO)CNC(=O)c2cnn[nH]2)cn1 ZINC001410687227 889698288 /nfs/dbraw/zinc/69/82/88/889698288.db2.gz LWBRUPQXUKEAPD-JTQLQIEISA-N 1 2 291.315 -1.216 20 0 CAADLO C[C@H](CC(N)=O)C(=O)NC[C@H](CO)[NH2+]Cc1ccon1 ZINC001410705596 889701326 /nfs/dbraw/zinc/70/13/26/889701326.db2.gz ONUSAAGVPVWWMF-PSASIEDQSA-N 1 2 284.316 -1.247 20 0 CAADLO C[C@@H]1C[C@H]1C(=O)NC[C@H](CO)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001410706167 889701618 /nfs/dbraw/zinc/70/16/18/889701618.db2.gz PFZMYKCSGZXZBN-IWSPIJDZSA-N 1 2 283.332 -1.669 20 0 CAADLO Cn1nnnc1C[NH2+][C@H](CO)CNC(=O)CCC(F)F ZINC001410696527 889702032 /nfs/dbraw/zinc/70/20/32/889702032.db2.gz HDMAHNYRYXTKKT-ZETCQYMHSA-N 1 2 292.290 -1.178 20 0 CAADLO C[C@H](CC(N)=O)C(=O)NC[C@@H](CO)[NH2+]Cc1ccon1 ZINC001410705603 889702051 /nfs/dbraw/zinc/70/20/51/889702051.db2.gz ONUSAAGVPVWWMF-SCZZXKLOSA-N 1 2 284.316 -1.247 20 0 CAADLO O=C(CCn1cc[nH+]c1)NC[C@H](CO)NCc1cnon1 ZINC001410712548 889703046 /nfs/dbraw/zinc/70/30/46/889703046.db2.gz WMRIIJIHKGRYSA-LLVKDONJSA-N 1 2 294.315 -1.077 20 0 CAADLO Cc1nocc1C(=O)NC[C@@H](CO)[NH2+]Cc1nnnn1C ZINC001410719860 889704874 /nfs/dbraw/zinc/70/48/74/889704874.db2.gz ANESKUZVOVEETC-QMMMGPOBSA-N 1 2 295.303 -1.613 20 0 CAADLO O=C(NC[C@H](CO)[NH2+]Cc1nccs1)[C@@H]1CNC(=O)N1 ZINC001410716032 889705055 /nfs/dbraw/zinc/70/50/55/889705055.db2.gz CDKFPRYQSVEPHI-SFYZADRCSA-N 1 2 299.356 -1.609 20 0 CAADLO Cc1nocc1C(=O)NC[C@H](CO)[NH2+]Cc1nnnn1C ZINC001410719814 889705187 /nfs/dbraw/zinc/70/51/87/889705187.db2.gz ANESKUZVOVEETC-MRVPVSSYSA-N 1 2 295.303 -1.613 20 0 CAADLO Cn1cc(C[NH2+][C@H](CO)CNC(=O)[C@@H]2CNC(=O)N2)nn1 ZINC001410729271 889705395 /nfs/dbraw/zinc/70/53/95/889705395.db2.gz PDECFMUGKUBOHL-IUCAKERBSA-N 1 2 297.319 -2.937 20 0 CAADLO Cc1c[nH]c(C(=O)NC[C@@H](CO)[NH2+]Cc2nnnn2C)n1 ZINC001410717718 889705974 /nfs/dbraw/zinc/70/59/74/889705974.db2.gz CBXVRHYPDGGQHA-QMMMGPOBSA-N 1 2 294.319 -1.878 20 0 CAADLO CN1C[C@H](C(=O)NC[C@H](CO)[NH2+]Cc2ccon2)NC1=O ZINC001410715207 889706252 /nfs/dbraw/zinc/70/62/52/889706252.db2.gz WZPQVJDPVCSNFU-NXEZZACHSA-N 1 2 297.315 -1.735 20 0 CAADLO O=C(NC[C@H](CO)[NH2+]Cc1ccon1)[C@H]1CNC(=O)N1 ZINC001410733607 889708918 /nfs/dbraw/zinc/70/89/18/889708918.db2.gz UAFRVEWGGDDVRZ-RKDXNWHRSA-N 1 2 283.288 -2.077 20 0 CAADLO O=C(NC[C@@H](CO)[NH2+]Cc1ccon1)[C@@H]1CNC(=O)N1 ZINC001410733585 889709279 /nfs/dbraw/zinc/70/92/79/889709279.db2.gz UAFRVEWGGDDVRZ-IUCAKERBSA-N 1 2 283.288 -2.077 20 0 CAADLO CNC(=O)[C@H](C)[NH2+][C@H](CO)CNC(=O)CCc1cnn[nH]1 ZINC001410738044 889710221 /nfs/dbraw/zinc/71/02/21/889710221.db2.gz ZZMKGOSAQZYERD-WPRPVWTQSA-N 1 2 298.347 -2.062 20 0 CAADLO CNC(=O)[C@@H](C)[NH2+][C@@H](CO)CNC(=O)Cc1nnc[nH]1 ZINC001410756986 889710265 /nfs/dbraw/zinc/71/02/65/889710265.db2.gz APZYYNRDOYMVLT-HTQZYQBOSA-N 1 2 284.320 -2.452 20 0 CAADLO Cn1ncnc1C[NH2+][C@@H](CO)CNC(=O)Cc1cnoc1 ZINC001410736881 889710297 /nfs/dbraw/zinc/71/02/97/889710297.db2.gz VPVNUVQVYZRCCA-SNVBAGLBSA-N 1 2 294.315 -1.388 20 0 CAADLO Cn1cnnc1C[NH2+][C@H](CO)CNC(=O)c1n[nH]cc1F ZINC001410738211 889710746 /nfs/dbraw/zinc/71/07/46/889710746.db2.gz WZFDKIMMCLUJEE-ZETCQYMHSA-N 1 2 297.294 -1.442 20 0 CAADLO Cn1ncnc1C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CNC(=O)N1 ZINC001410736566 889711458 /nfs/dbraw/zinc/71/14/58/889711458.db2.gz VNJGKOQQDKPPAR-SFYZADRCSA-N 1 2 297.319 -2.937 20 0 CAADLO CN(C)C(=O)C[NH2+][C@H](CO)CNC(=O)Cc1nnc[nH]1 ZINC001410779616 889712836 /nfs/dbraw/zinc/71/28/36/889712836.db2.gz YMQJYROUVKATOX-QMMMGPOBSA-N 1 2 284.320 -2.498 20 0 CAADLO CC(C)NC(=O)C[NH2+][C@H](CO)CNC(=O)Cc1nnc[nH]1 ZINC001410768261 889713357 /nfs/dbraw/zinc/71/33/57/889713357.db2.gz LNSRNVMZDRJKLH-VIFPVBQESA-N 1 2 298.347 -2.062 20 0 CAADLO Cn1cc(C[NH2+][C@H](CO)CNC(=O)c2ccn(C)n2)nn1 ZINC001410791074 889717557 /nfs/dbraw/zinc/71/75/57/889717557.db2.gz QSDCCIBHWVBTRS-JTQLQIEISA-N 1 2 293.331 -1.571 20 0 CAADLO Cn1ncc(C[NH2+][C@@H](CO)CNC(=O)[C@@H]2CCC(=O)N2)n1 ZINC001410786339 889718111 /nfs/dbraw/zinc/71/81/11/889718111.db2.gz BFLFXOZQLFOAST-ZJUUUORDSA-N 1 2 296.331 -2.340 20 0 CAADLO Cc1conc1C[NH2+][C@H](CO)CNC(=O)Cn1cncn1 ZINC001410787204 889718164 /nfs/dbraw/zinc/71/81/64/889718164.db2.gz WIEJMZDMMQOFME-JTQLQIEISA-N 1 2 294.315 -1.159 20 0 CAADLO Cc1nnc(C[NH2+]C[C@H](O)CN(C)C(=O)c2nc[nH]n2)o1 ZINC001411122174 889733849 /nfs/dbraw/zinc/73/38/49/889733849.db2.gz HEOJXQQYIFVODB-QMMMGPOBSA-N 1 2 295.303 -1.281 20 0 CAADLO Cc1ncc(C(=O)N(C)C[C@@H](O)C[N@@H+](C)[C@H](C)C(N)=O)[nH]1 ZINC001411162159 889738255 /nfs/dbraw/zinc/73/82/55/889738255.db2.gz HZBNHSBHFKHVDP-SCZZXKLOSA-N 1 2 297.359 -1.043 20 0 CAADLO Cc1ncc(C(=O)N(C)C[C@@H](O)C[N@H+](C)[C@H](C)C(N)=O)[nH]1 ZINC001411162159 889738263 /nfs/dbraw/zinc/73/82/63/889738263.db2.gz HZBNHSBHFKHVDP-SCZZXKLOSA-N 1 2 297.359 -1.043 20 0 CAADLO COCC[N@H+](CCNC(=O)[C@@H]1CCCO1)CC(N)=O ZINC001411215843 889742579 /nfs/dbraw/zinc/74/25/79/889742579.db2.gz LAQQKVZWJFHRPY-JTQLQIEISA-N 1 2 273.333 -1.285 20 0 CAADLO COCC[N@@H+](CCNC(=O)[C@@H]1CCCO1)CC(N)=O ZINC001411215843 889742591 /nfs/dbraw/zinc/74/25/91/889742591.db2.gz LAQQKVZWJFHRPY-JTQLQIEISA-N 1 2 273.333 -1.285 20 0 CAADLO CCC(=O)NCC[N@H+](CCOC)CC(=O)NC(N)=O ZINC001411219920 889743016 /nfs/dbraw/zinc/74/30/16/889743016.db2.gz XGHHGKRBTLNWPI-UHFFFAOYSA-N 1 2 274.321 -1.344 20 0 CAADLO CCC(=O)NCC[N@@H+](CCOC)CC(=O)NC(N)=O ZINC001411219920 889743022 /nfs/dbraw/zinc/74/30/22/889743022.db2.gz XGHHGKRBTLNWPI-UHFFFAOYSA-N 1 2 274.321 -1.344 20 0 CAADLO COCC[N@H+](CCNC(=O)c1[nH]nnc1C)CC(N)=O ZINC001411223507 889743879 /nfs/dbraw/zinc/74/38/79/889743879.db2.gz MOLUBNQGWHRUOT-UHFFFAOYSA-N 1 2 284.320 -1.723 20 0 CAADLO COCC[N@@H+](CCNC(=O)c1[nH]nnc1C)CC(N)=O ZINC001411223507 889743890 /nfs/dbraw/zinc/74/38/90/889743890.db2.gz MOLUBNQGWHRUOT-UHFFFAOYSA-N 1 2 284.320 -1.723 20 0 CAADLO CNC(=O)C[N@H+](CCNC(=O)c1ccncn1)CCOC ZINC001411227594 889744033 /nfs/dbraw/zinc/74/40/33/889744033.db2.gz WWISZGZIDYXVHI-UHFFFAOYSA-N 1 2 295.343 -1.099 20 0 CAADLO CNC(=O)C[N@@H+](CCNC(=O)c1ccncn1)CCOC ZINC001411227594 889744044 /nfs/dbraw/zinc/74/40/44/889744044.db2.gz WWISZGZIDYXVHI-UHFFFAOYSA-N 1 2 295.343 -1.099 20 0 CAADLO COCC[N@H+](CCNC(=O)c1cnon1)[C@H](C)C(N)=O ZINC001411226282 889745228 /nfs/dbraw/zinc/74/52/28/889745228.db2.gz OOVAFVQVMLJCQG-MRVPVSSYSA-N 1 2 285.304 -1.378 20 0 CAADLO COCC[N@@H+](CCNC(=O)c1cnon1)[C@H](C)C(N)=O ZINC001411226282 889745238 /nfs/dbraw/zinc/74/52/38/889745238.db2.gz OOVAFVQVMLJCQG-MRVPVSSYSA-N 1 2 285.304 -1.378 20 0 CAADLO C[C@H](NC(=O)Cn1cnnn1)C(=O)NCCc1[nH]cc[nH+]1 ZINC001411805867 889768409 /nfs/dbraw/zinc/76/84/09/889768409.db2.gz YFKGLKZCECHLMG-QMMMGPOBSA-N 1 2 292.303 -1.740 20 0 CAADLO Cc1[nH+]c[nH]c1CNC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001411857574 889768603 /nfs/dbraw/zinc/76/86/03/889768603.db2.gz UDMYYNYBBDIGPW-QMMMGPOBSA-N 1 2 286.313 -1.752 20 0 CAADLO C[C@H](NC(=O)[C@H](CO)NC(N)=O)[C@H]1CN(C)CC[N@@H+]1C ZINC001411819503 889768882 /nfs/dbraw/zinc/76/88/82/889768882.db2.gz ZBKVUQOGACSYCO-LPEHRKFASA-N 1 2 287.364 -2.234 20 0 CAADLO C[C@H](NC(=O)[C@H](CO)NC(N)=O)[C@H]1CN(C)CC[N@H+]1C ZINC001411819503 889768889 /nfs/dbraw/zinc/76/88/89/889768889.db2.gz ZBKVUQOGACSYCO-LPEHRKFASA-N 1 2 287.364 -2.234 20 0 CAADLO O=C(NC1CC[NH+]([C@@H]2CCOC2=O)CC1)[C@@H]1COC(=O)N1 ZINC001411956391 889778832 /nfs/dbraw/zinc/77/88/32/889778832.db2.gz SPPHXWRASRHVGG-VHSXEESVSA-N 1 2 297.311 -1.009 20 0 CAADLO Cc1[nH+]c2c(n1CCO)CC[C@H](NC(=O)C1(O)COC1)C2 ZINC001412114819 889792260 /nfs/dbraw/zinc/79/22/60/889792260.db2.gz GDTOJDQCMHQOAG-JTQLQIEISA-N 1 2 295.339 -1.081 20 0 CAADLO CC[C@H](C(=O)NC[C@@]1(O)CCS(=O)(=O)C1)[NH+](C)C ZINC001412137161 889793450 /nfs/dbraw/zinc/79/34/50/889793450.db2.gz LAVWULWCXIVZPM-KOLCDFICSA-N 1 2 278.374 -1.008 20 0 CAADLO C[C@@H](C(=O)N1CCN(CC(N)=O)C(=O)C1)n1cc[nH+]c1 ZINC001412210646 889799962 /nfs/dbraw/zinc/79/99/62/889799962.db2.gz CTLRNLSZTKFDOL-VIFPVBQESA-N 1 2 279.300 -1.400 20 0 CAADLO NC(=O)Cn1cc(C(=O)N[C@H]2CCn3c[nH+]cc3C2)nn1 ZINC001412266582 889809060 /nfs/dbraw/zinc/80/90/60/889809060.db2.gz COCRUVWHVSYDQO-QMMMGPOBSA-N 1 2 289.299 -1.295 20 0 CAADLO CN1CC[N@H+](C)CC(C(=O)NCc2nnc(CO)[nH]2)C1 ZINC001412370815 889816090 /nfs/dbraw/zinc/81/60/90/889816090.db2.gz GFQLWIUSBUXZDJ-UHFFFAOYSA-N 1 2 282.348 -1.593 20 0 CAADLO CN1CC[N@@H+](C)CC(C(=O)NCc2nnc(CO)[nH]2)C1 ZINC001412370815 889816099 /nfs/dbraw/zinc/81/60/99/889816099.db2.gz GFQLWIUSBUXZDJ-UHFFFAOYSA-N 1 2 282.348 -1.593 20 0 CAADLO Cn1c[nH+]cc1[C@@H](CO)NC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001412378328 889818128 /nfs/dbraw/zinc/81/81/28/889818128.db2.gz WZSAMRTXOMPDPG-FKTZTGRPSA-N 1 2 282.300 -1.397 20 0 CAADLO CC(=O)NCC(=O)NCC(=O)N[C@@H](CO)c1c[nH+]cn1C ZINC001412389364 889818756 /nfs/dbraw/zinc/81/87/56/889818756.db2.gz AMQUZGHBYMHWIY-VIFPVBQESA-N 1 2 297.315 -2.178 20 0 CAADLO CC(=O)NCC(=O)NCC(=O)N[C@H](CO)c1c[nH+]cn1C ZINC001412389358 889818915 /nfs/dbraw/zinc/81/89/15/889818915.db2.gz AMQUZGHBYMHWIY-SECBINFHSA-N 1 2 297.315 -2.178 20 0 CAADLO C[C@@H](CC(=O)N1CC(NS(N)(=O)=O)C1)n1cc[nH+]c1 ZINC001412402576 889821125 /nfs/dbraw/zinc/82/11/25/889821125.db2.gz OOHIPEAZRYHXFK-QMMMGPOBSA-N 1 2 287.345 -1.162 20 0 CAADLO O=C(NCC[N@H+]1CC[C@H](O)C1)C1=CCS(=O)(=O)C1 ZINC001412401532 889821820 /nfs/dbraw/zinc/82/18/20/889821820.db2.gz CFPOFVMVAGNSIE-JTQLQIEISA-N 1 2 274.342 -1.476 20 0 CAADLO O=C(NCC[N@@H+]1CC[C@H](O)C1)C1=CCS(=O)(=O)C1 ZINC001412401532 889821830 /nfs/dbraw/zinc/82/18/30/889821830.db2.gz CFPOFVMVAGNSIE-JTQLQIEISA-N 1 2 274.342 -1.476 20 0 CAADLO CC(C)(C(=O)N1CC(NS(N)(=O)=O)C1)c1c[nH+]c[nH]1 ZINC001412399060 889822520 /nfs/dbraw/zinc/82/25/20/889822520.db2.gz DDBQKRKLJOQAHX-UHFFFAOYSA-N 1 2 287.345 -1.309 20 0 CAADLO O=C(N[C@@H]1CS(=O)(=O)C[C@H]1O)[C@H]1CCc2c[nH+]cn2C1 ZINC001412407526 889823982 /nfs/dbraw/zinc/82/39/82/889823982.db2.gz RGWGOLNIARPUMK-JMJZKYOTSA-N 1 2 299.352 -1.280 20 0 CAADLO Cn1c[nH+]cc1CCC(=O)N[C@@H]1CS(=O)(=O)C[C@H]1O ZINC001412405610 889825026 /nfs/dbraw/zinc/82/50/26/889825026.db2.gz MIUPXYHSHSWPTF-NXEZZACHSA-N 1 2 287.341 -1.373 20 0 CAADLO NC(=O)N[C@H](CO)C(=O)N1CC[NH2+][C@@H](c2cn[nH]c2)C1 ZINC001412419104 889827981 /nfs/dbraw/zinc/82/79/81/889827981.db2.gz PNDZGYMKBMKTMY-RKDXNWHRSA-N 1 2 282.304 -2.088 20 0 CAADLO O=C([C@H]1CCS(=O)(=O)N1)N1CC[NH2+][C@H](c2cn[nH]c2)C1 ZINC001412419036 889828074 /nfs/dbraw/zinc/82/80/74/889828074.db2.gz PEBZCTWMCTWIBF-ZJUUUORDSA-N 1 2 299.356 -1.426 20 0 CAADLO NC(=O)N[C@H](CO)C(=O)N1CC[NH2+][C@H](c2cn[nH]c2)C1 ZINC001412419087 889828220 /nfs/dbraw/zinc/82/82/20/889828220.db2.gz PNDZGYMKBMKTMY-DTWKUNHWSA-N 1 2 282.304 -2.088 20 0 CAADLO NC(=O)N[C@@H](CO)C(=O)N1CC[NH2+][C@H](c2cn[nH]c2)C1 ZINC001412419100 889828929 /nfs/dbraw/zinc/82/89/29/889828929.db2.gz PNDZGYMKBMKTMY-IUCAKERBSA-N 1 2 282.304 -2.088 20 0 CAADLO CC1(C)C[N@@H+](CCNC(=O)[C@@H](CO)NC(N)=O)CCO1 ZINC001412478779 889834246 /nfs/dbraw/zinc/83/42/46/889834246.db2.gz PSVSFVFVRSRPKF-SECBINFHSA-N 1 2 288.348 -1.757 20 0 CAADLO CC1(C)C[N@H+](CCNC(=O)[C@@H](CO)NC(N)=O)CCO1 ZINC001412478779 889834236 /nfs/dbraw/zinc/83/42/36/889834236.db2.gz PSVSFVFVRSRPKF-SECBINFHSA-N 1 2 288.348 -1.757 20 0 CAADLO O=C(Cc1n[nH]c(C2CC2)n1)NC[C@]1(CO)COCC[NH2+]1 ZINC001412466104 889835871 /nfs/dbraw/zinc/83/58/71/889835871.db2.gz PDXXEAUQCODRQS-ZDUSSCGKSA-N 1 2 295.343 -1.308 20 0 CAADLO Cn1cc(C(=O)N[C@H](CO)Cc2c[nH]c[nH+]2)c(=O)[nH]c1=O ZINC001412488516 889839451 /nfs/dbraw/zinc/83/94/51/889839451.db2.gz LZDYXBVRCSNOLZ-QMMMGPOBSA-N 1 2 293.283 -1.458 20 0 CAADLO Cn1cc(C(=O)N[C@H](CO)Cc2c[nH+]c[nH]2)c(=O)[nH]c1=O ZINC001412488516 889839463 /nfs/dbraw/zinc/83/94/63/889839463.db2.gz LZDYXBVRCSNOLZ-QMMMGPOBSA-N 1 2 293.283 -1.458 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@H](NC(=O)C2(CO)CCOCC2)C1 ZINC001412520199 889842076 /nfs/dbraw/zinc/84/20/76/889842076.db2.gz FUBKOMBQUPNUDW-NSHDSACASA-N 1 2 299.371 -1.159 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@H](NC(=O)C2(CO)CCOCC2)C1 ZINC001412520199 889842093 /nfs/dbraw/zinc/84/20/93/889842093.db2.gz FUBKOMBQUPNUDW-NSHDSACASA-N 1 2 299.371 -1.159 20 0 CAADLO O=C(CCc1c[nH]c[nH+]1)NCc1nnc2n1CCNC2=O ZINC001412517390 889842539 /nfs/dbraw/zinc/84/25/39/889842539.db2.gz YRSARWXBQMLVII-UHFFFAOYSA-N 1 2 289.299 -1.006 20 0 CAADLO O=C(CCc1c[nH+]c[nH]1)NCc1nnc2n1CCNC2=O ZINC001412517390 889842544 /nfs/dbraw/zinc/84/25/44/889842544.db2.gz YRSARWXBQMLVII-UHFFFAOYSA-N 1 2 289.299 -1.006 20 0 CAADLO NC(=O)C[N@@H+]1CCCN(C(=O)CC2(O)CCOCC2)CC1 ZINC001412536700 889845052 /nfs/dbraw/zinc/84/50/52/889845052.db2.gz WCVJWEXDLVHHKL-UHFFFAOYSA-N 1 2 299.371 -1.062 20 0 CAADLO NC(=O)C[N@H+]1CCCN(C(=O)CC2(O)CCOCC2)CC1 ZINC001412536700 889845068 /nfs/dbraw/zinc/84/50/68/889845068.db2.gz WCVJWEXDLVHHKL-UHFFFAOYSA-N 1 2 299.371 -1.062 20 0 CAADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H](C)NC(C)=O ZINC001412534810 889846893 /nfs/dbraw/zinc/84/68/93/889846893.db2.gz ADRMJTBLXACWEY-XVKPBYJWSA-N 1 2 281.316 -1.292 20 0 CAADLO C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)N1CCO[C@@H](c2nn[nH]n2)C1 ZINC001412534516 889846453 /nfs/dbraw/zinc/84/64/53/889846453.db2.gz QDNBDMJQJDSMRF-KBVBSXBZSA-N 1 2 296.331 -1.445 20 0 CAADLO C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)N1CCO[C@@H](c2nn[nH]n2)C1 ZINC001412534516 889846466 /nfs/dbraw/zinc/84/64/66/889846466.db2.gz QDNBDMJQJDSMRF-KBVBSXBZSA-N 1 2 296.331 -1.445 20 0 CAADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H](C)NC(C)=O ZINC001412534810 889846907 /nfs/dbraw/zinc/84/69/07/889846907.db2.gz ADRMJTBLXACWEY-XVKPBYJWSA-N 1 2 281.316 -1.292 20 0 CAADLO C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)N1CCO[C@@H](c2nn[nH]n2)C1 ZINC001412534524 889846609 /nfs/dbraw/zinc/84/66/09/889846609.db2.gz QDNBDMJQJDSMRF-LNLATYFQSA-N 1 2 296.331 -1.445 20 0 CAADLO C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)N1CCO[C@@H](c2nn[nH]n2)C1 ZINC001412534524 889846618 /nfs/dbraw/zinc/84/66/18/889846618.db2.gz QDNBDMJQJDSMRF-LNLATYFQSA-N 1 2 296.331 -1.445 20 0 CAADLO CNC(=O)CN(CC(=O)NC)C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001412545330 889848334 /nfs/dbraw/zinc/84/83/34/889848334.db2.gz AEKPTEAKODXGNT-SECBINFHSA-N 1 2 295.343 -1.091 20 0 CAADLO CNC(=O)CN(CC(=O)NC)C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001412545330 889848342 /nfs/dbraw/zinc/84/83/42/889848342.db2.gz AEKPTEAKODXGNT-SECBINFHSA-N 1 2 295.343 -1.091 20 0 CAADLO Cn1cc[nH+]c1CCNC(=O)c1c[nH]nc1S(N)(=O)=O ZINC001412565851 889853084 /nfs/dbraw/zinc/85/30/84/889853084.db2.gz HINDEBMLQJVFTL-UHFFFAOYSA-N 1 2 298.328 -1.237 20 0 CAADLO CC(=O)NCC(=O)NCC(=O)NCCc1[nH+]ccn1C ZINC001412568419 889853182 /nfs/dbraw/zinc/85/31/82/889853182.db2.gz QHRICROYEAHFCT-UHFFFAOYSA-N 1 2 281.316 -1.669 20 0 CAADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)Cn1nccc1N ZINC001412641976 889859755 /nfs/dbraw/zinc/85/97/55/889859755.db2.gz LVVYNLNXURDLLB-NSHDSACASA-N 1 2 297.359 -1.383 20 0 CAADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001412645932 889863175 /nfs/dbraw/zinc/86/31/75/889863175.db2.gz UGVIPKKBEQOPOB-MXWKQRLJSA-N 1 2 285.344 -1.741 20 0 CAADLO CCc1[nH]c(CNC(=O)Cn2cnc(C(N)=O)n2)c[nH+]1 ZINC001412669169 889863341 /nfs/dbraw/zinc/86/33/41/889863341.db2.gz IODOXEIDDLOVAN-UHFFFAOYSA-N 1 2 277.288 -1.021 20 0 CAADLO CCc1[nH]cc(CNC(=O)Cn2cnc(C(N)=O)n2)[nH+]1 ZINC001412669169 889863349 /nfs/dbraw/zinc/86/33/49/889863349.db2.gz IODOXEIDDLOVAN-UHFFFAOYSA-N 1 2 277.288 -1.021 20 0 CAADLO C[C@H](CN(C)C(=O)Cc1c[nH+]c[nH]1)NC(=O)CNC(N)=O ZINC001412739620 889874970 /nfs/dbraw/zinc/87/49/70/889874970.db2.gz YHKCPZHHBFAUQA-MRVPVSSYSA-N 1 2 296.331 -1.416 20 0 CAADLO C[C@@H](CN(C)C(=O)Cc1c[nH+]c[nH]1)NC(=O)CNC(N)=O ZINC001412739625 889875566 /nfs/dbraw/zinc/87/55/66/889875566.db2.gz YHKCPZHHBFAUQA-QMMMGPOBSA-N 1 2 296.331 -1.416 20 0 CAADLO CCOCC(=O)NC[C@@H](CO)NC(=O)Cc1c[nH]c[nH+]1 ZINC001412745689 889878400 /nfs/dbraw/zinc/87/84/00/889878400.db2.gz BKHKOZDCIRRVJQ-JTQLQIEISA-N 1 2 284.316 -1.418 20 0 CAADLO CC(=O)NCC(=O)NC[C@@H](CO)NC(=O)Cn1cc[nH+]c1 ZINC001412746462 889878996 /nfs/dbraw/zinc/87/89/96/889878996.db2.gz WCYCGHRXDHDSSA-JTQLQIEISA-N 1 2 297.315 -2.388 20 0 CAADLO CC(=O)NCC(=O)NC[C@H](CO)NC(=O)Cn1cc[nH+]c1 ZINC001412746464 889879228 /nfs/dbraw/zinc/87/92/28/889879228.db2.gz WCYCGHRXDHDSSA-SNVBAGLBSA-N 1 2 297.315 -2.388 20 0 CAADLO O=C(Cc1c[nH]c[nH+]1)N[C@@H](CO)CNC(=O)[C@H]1CCCO1 ZINC001412767737 889884689 /nfs/dbraw/zinc/88/46/89/889884689.db2.gz MJHCXVIGBAVXKP-GHMZBOCLSA-N 1 2 296.327 -1.276 20 0 CAADLO CO[C@@H](C)CC(=O)NC[C@H](CO)NC(=O)Cc1[nH]cc[nH+]1 ZINC001412794636 889891836 /nfs/dbraw/zinc/89/18/36/889891836.db2.gz PWDWIWMJAVVAGX-VHSXEESVSA-N 1 2 298.343 -1.030 20 0 CAADLO CC(C)[C@@H](O)C(=O)NC[C@@H](CO)NC(=O)Cn1cc[nH+]c1 ZINC001412837779 889896509 /nfs/dbraw/zinc/89/65/09/889896509.db2.gz SENHDLQXJFLRAT-CMPLNLGQSA-N 1 2 298.343 -1.507 20 0 CAADLO C[C@@H](C(=O)N1CCC(O)(C(N)=O)CC1)[NH+]1CCN(C)CC1 ZINC001412889866 889903513 /nfs/dbraw/zinc/90/35/13/889903513.db2.gz XNPKUGQXYMMMNW-NSHDSACASA-N 1 2 298.387 -1.539 20 0 CAADLO O=C(Cn1cc[nH+]c1)NC[C@@H](CO)NC(=O)[C@H]1CCOC1 ZINC001412911032 889908013 /nfs/dbraw/zinc/90/80/13/889908013.db2.gz YKSHWIMATNGRFY-QWRGUYRKSA-N 1 2 296.327 -1.487 20 0 CAADLO CCO[C@H](C)C(=O)N[C@@H](CO)CNC(=O)Cn1cc[nH+]c1 ZINC001412899367 889908930 /nfs/dbraw/zinc/90/89/30/889908930.db2.gz JMHLYXJRIVSIEX-GHMZBOCLSA-N 1 2 298.343 -1.099 20 0 CAADLO CCO[C@@H](C)C(=O)N[C@@H](CO)CNC(=O)Cn1cc[nH+]c1 ZINC001412899379 889909332 /nfs/dbraw/zinc/90/93/32/889909332.db2.gz JMHLYXJRIVSIEX-WDEREUQCSA-N 1 2 298.343 -1.099 20 0 CAADLO C[N@@H+]1CCC[C@H]1c1cc(C(=O)NC[C@H](O)C(N)=O)[nH]n1 ZINC001412928217 889910833 /nfs/dbraw/zinc/91/08/33/889910833.db2.gz PAXOPGADUITOGF-UWVGGRQHSA-N 1 2 281.316 -1.248 20 0 CAADLO C[N@H+]1CCC[C@H]1c1cc(C(=O)NC[C@H](O)C(N)=O)[nH]n1 ZINC001412928217 889910839 /nfs/dbraw/zinc/91/08/39/889910839.db2.gz PAXOPGADUITOGF-UWVGGRQHSA-N 1 2 281.316 -1.248 20 0 CAADLO C[N@@H+]1CCC[C@@H]1c1cc(C(=O)NC[C@H](O)C(N)=O)[nH]n1 ZINC001412928224 889911115 /nfs/dbraw/zinc/91/11/15/889911115.db2.gz PAXOPGADUITOGF-ZJUUUORDSA-N 1 2 281.316 -1.248 20 0 CAADLO C[N@H+]1CCC[C@@H]1c1cc(C(=O)NC[C@H](O)C(N)=O)[nH]n1 ZINC001412928224 889911124 /nfs/dbraw/zinc/91/11/24/889911124.db2.gz PAXOPGADUITOGF-ZJUUUORDSA-N 1 2 281.316 -1.248 20 0 CAADLO C[S@@](=O)CC[NH+]1CCN(CCCS(N)(=O)=O)CC1 ZINC001412946309 889915056 /nfs/dbraw/zinc/91/50/56/889915056.db2.gz HOQNJBSENZRCIC-QGZVFWFLSA-N 1 2 297.446 -1.339 20 0 CAADLO O=C(Cn1cc[nH+]c1)NC[C@]1(O)CCS(=O)(=O)C1 ZINC001412967278 889917113 /nfs/dbraw/zinc/91/71/13/889917113.db2.gz IJWXEELTVNGVJT-SNVBAGLBSA-N 1 2 273.314 -1.451 20 0 CAADLO C[C@H]1CC[N@H+](CC(=O)NC[C@@]2(O)CCS(=O)(=O)C2)C1 ZINC001412962016 889917146 /nfs/dbraw/zinc/91/71/46/889917146.db2.gz AQIPQLUHUKVAGR-JQWIXIFHSA-N 1 2 290.385 -1.006 20 0 CAADLO C[C@H]1CC[N@@H+](CC(=O)NC[C@@]2(O)CCS(=O)(=O)C2)C1 ZINC001412962016 889917155 /nfs/dbraw/zinc/91/71/55/889917155.db2.gz AQIPQLUHUKVAGR-JQWIXIFHSA-N 1 2 290.385 -1.006 20 0 CAADLO C[C@@H]1CC[N@H+](CC(=O)NC[C@@]2(O)CCS(=O)(=O)C2)C1 ZINC001412962028 889917268 /nfs/dbraw/zinc/91/72/68/889917268.db2.gz AQIPQLUHUKVAGR-PWSUYJOCSA-N 1 2 290.385 -1.006 20 0 CAADLO C[C@@H]1CC[N@@H+](CC(=O)NC[C@@]2(O)CCS(=O)(=O)C2)C1 ZINC001412962028 889917272 /nfs/dbraw/zinc/91/72/72/889917272.db2.gz AQIPQLUHUKVAGR-PWSUYJOCSA-N 1 2 290.385 -1.006 20 0 CAADLO CC(=O)NCC(=O)N[C@@H](CO)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001412963164 889917728 /nfs/dbraw/zinc/91/77/28/889917728.db2.gz GPFVVBOHHYIUSP-SECBINFHSA-N 1 2 297.315 -2.318 20 0 CAADLO C[C@H]1CC[N@H+](CC(=O)NC[C@]2(O)CCS(=O)(=O)C2)C1 ZINC001412962004 889918844 /nfs/dbraw/zinc/91/88/44/889918844.db2.gz AQIPQLUHUKVAGR-CMPLNLGQSA-N 1 2 290.385 -1.006 20 0 CAADLO C[C@H]1CC[N@@H+](CC(=O)NC[C@]2(O)CCS(=O)(=O)C2)C1 ZINC001412962004 889918851 /nfs/dbraw/zinc/91/88/51/889918851.db2.gz AQIPQLUHUKVAGR-CMPLNLGQSA-N 1 2 290.385 -1.006 20 0 CAADLO C[C@H]1COCCN1CC[NH+]1CCN(CC(N)=O)CC1 ZINC001412972161 889921668 /nfs/dbraw/zinc/92/16/68/889921668.db2.gz MPFCKEYADSVIBT-LBPRGKRZSA-N 1 2 270.377 -1.190 20 0 CAADLO CC(C)Cn1ncnc1C[N@@H+]1C[C@H](C(N)=O)[C@H](C(N)=O)C1 ZINC001413032477 889929498 /nfs/dbraw/zinc/92/94/98/889929498.db2.gz ZWXFGHISZGTGRW-AOOOYVTPSA-N 1 2 294.359 -1.047 20 0 CAADLO CC(C)Cn1ncnc1C[N@H+]1C[C@H](C(N)=O)[C@H](C(N)=O)C1 ZINC001413032477 889929512 /nfs/dbraw/zinc/92/95/12/889929512.db2.gz ZWXFGHISZGTGRW-AOOOYVTPSA-N 1 2 294.359 -1.047 20 0 CAADLO C[C@@H](NC(=O)C[N@@H+]1CC[C@@H](c2nn[nH]n2)C1)C(=O)N(C)C ZINC001413051719 889931373 /nfs/dbraw/zinc/93/13/73/889931373.db2.gz WBILXZPQOKMDRF-RKDXNWHRSA-N 1 2 295.347 -1.418 20 0 CAADLO C[C@@H](NC(=O)C[N@H+]1CC[C@@H](c2nn[nH]n2)C1)C(=O)N(C)C ZINC001413051719 889931390 /nfs/dbraw/zinc/93/13/90/889931390.db2.gz WBILXZPQOKMDRF-RKDXNWHRSA-N 1 2 295.347 -1.418 20 0 CAADLO CN(CC[NH+]1CCOCC1)Cc1cn(CC(N)=O)nn1 ZINC001413174978 889943640 /nfs/dbraw/zinc/94/36/40/889943640.db2.gz JXVQIFAJFBNDHS-UHFFFAOYSA-N 1 2 282.348 -1.473 20 0 CAADLO COCC(=O)N(C)C[C@H](O)CNC(=O)Cc1[nH]c[nH+]c1C ZINC001413204895 889947403 /nfs/dbraw/zinc/94/74/03/889947403.db2.gz WILCJGSMQSBERJ-SNVBAGLBSA-N 1 2 298.343 -1.157 20 0 CAADLO NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001413278277 889955595 /nfs/dbraw/zinc/95/55/95/889955595.db2.gz ODUUGQAKDAVUMM-AEJSXWLSSA-N 1 2 278.312 -1.107 20 0 CAADLO C[C@H]1CC(=O)NCCN1S(=O)(=O)N1CC[NH+](C)CC1 ZINC001413289389 889957979 /nfs/dbraw/zinc/95/79/79/889957979.db2.gz DITLJVXZOZSTMT-JTQLQIEISA-N 1 2 290.389 -1.311 20 0 CAADLO CNC(=O)[C@H](C)CN(C)S(=O)(=O)N1CC[NH+](C)CC1 ZINC001413304864 889960622 /nfs/dbraw/zinc/96/06/22/889960622.db2.gz CWUBQEZRJNXXFQ-SNVBAGLBSA-N 1 2 292.405 -1.208 20 0 CAADLO Cn1c[nH+]cc1[C@@H](CO)NC(=O)CSCC(N)=O ZINC001413326427 889964442 /nfs/dbraw/zinc/96/44/42/889964442.db2.gz KXTAEWHQBDBXKQ-SSDOTTSWSA-N 1 2 272.330 -1.212 20 0 CAADLO NS(=O)(=O)NC1CN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001413369443 889973199 /nfs/dbraw/zinc/97/31/99/889973199.db2.gz VLVZUAYNSJOPNQ-MRVPVSSYSA-N 1 2 299.356 -1.551 20 0 CAADLO Cn1cc([C@@H]2CN(C(=O)c3nnn(C)n3)CC[NH2+]2)cn1 ZINC001413373424 889973503 /nfs/dbraw/zinc/97/35/03/889973503.db2.gz AJBMHVOWTVGHPG-VIFPVBQESA-N 1 2 276.304 -1.270 20 0 CAADLO NS(=O)(=O)NC1CN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001413369446 889974128 /nfs/dbraw/zinc/97/41/28/889974128.db2.gz VLVZUAYNSJOPNQ-QMMMGPOBSA-N 1 2 299.356 -1.551 20 0 CAADLO NC(=O)[C@@H]1CC[C@H](C(=O)N2CC[NH2+][C@H](c3cn[nH]c3)C2)O1 ZINC001413380646 889977650 /nfs/dbraw/zinc/97/76/50/889977650.db2.gz UYEGDDFSUPIRBV-GARJFASQSA-N 1 2 293.327 -1.085 20 0 CAADLO O=C(N[C@H](CO)Cc1c[nH]c[nH+]1)c1nc2n(n1)CCCN2 ZINC001413426520 889979326 /nfs/dbraw/zinc/97/93/26/889979326.db2.gz LXTVEERHRQMFOS-VIFPVBQESA-N 1 2 291.315 -1.592 20 0 CAADLO O=C(N[C@H](CO)Cc1c[nH+]c[nH]1)c1nc2n(n1)CCCN2 ZINC001413426520 889979334 /nfs/dbraw/zinc/97/93/34/889979334.db2.gz LXTVEERHRQMFOS-VIFPVBQESA-N 1 2 291.315 -1.592 20 0 CAADLO CN1CCN(S(=O)(=O)CCn2cc[nH+]c2)C[C@@H]1CO ZINC001413453116 889988964 /nfs/dbraw/zinc/98/89/64/889988964.db2.gz QQRQHGDBRSKDJH-LLVKDONJSA-N 1 2 288.373 -1.179 20 0 CAADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1nnn(C)n1 ZINC001413500926 889991580 /nfs/dbraw/zinc/99/15/80/889991580.db2.gz GHKJKFWJOCNGAV-ZETCQYMHSA-N 1 2 278.276 -1.980 20 0 CAADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1nnn(C)n1 ZINC001413500926 889991596 /nfs/dbraw/zinc/99/15/96/889991596.db2.gz GHKJKFWJOCNGAV-ZETCQYMHSA-N 1 2 278.276 -1.980 20 0 CAADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CNC(=O)OC ZINC001413501643 889991637 /nfs/dbraw/zinc/99/16/37/889991637.db2.gz FWGKRDPUUFKQFU-QMMMGPOBSA-N 1 2 283.288 -1.461 20 0 CAADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CNC(=O)OC ZINC001413501643 889991651 /nfs/dbraw/zinc/99/16/51/889991651.db2.gz FWGKRDPUUFKQFU-QMMMGPOBSA-N 1 2 283.288 -1.461 20 0 CAADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H]1CCOC(=O)N1 ZINC001413506287 889992244 /nfs/dbraw/zinc/99/22/44/889992244.db2.gz ORYLHDWYVQUTBK-BDAKNGLRSA-N 1 2 295.299 -1.319 20 0 CAADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H]1CCOC(=O)N1 ZINC001413506287 889992258 /nfs/dbraw/zinc/99/22/58/889992258.db2.gz ORYLHDWYVQUTBK-BDAKNGLRSA-N 1 2 295.299 -1.319 20 0 CAADLO O=C(Cc1[nH]cc[nH+]1)NCCc1nnc2n1CCNC2=O ZINC001413572856 890002115 /nfs/dbraw/zinc/00/21/15/890002115.db2.gz PFPFCHJUNIHVJL-UHFFFAOYSA-N 1 2 289.299 -1.354 20 0 CAADLO COC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H]1C[C@H]1C(N)=O ZINC001413671189 890003327 /nfs/dbraw/zinc/00/33/27/890003327.db2.gz IXXQLRPBBKUFIA-HRDYMLBCSA-N 1 2 280.284 -1.269 20 0 CAADLO COC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H]1C[C@H]1C(N)=O ZINC001413671189 890003345 /nfs/dbraw/zinc/00/33/45/890003345.db2.gz IXXQLRPBBKUFIA-HRDYMLBCSA-N 1 2 280.284 -1.269 20 0 CAADLO CS(=O)(=O)C[C@@H](O)CNC(=O)CCc1c[nH]c[nH+]1 ZINC001413735691 890009134 /nfs/dbraw/zinc/00/91/34/890009134.db2.gz CPSUFPCWZDBZTQ-VIFPVBQESA-N 1 2 275.330 -1.136 20 0 CAADLO CS(=O)(=O)C[C@@H](O)CNC(=O)CCc1c[nH+]c[nH]1 ZINC001413735691 890009150 /nfs/dbraw/zinc/00/91/50/890009150.db2.gz CPSUFPCWZDBZTQ-VIFPVBQESA-N 1 2 275.330 -1.136 20 0 CAADLO COC(=O)Cn1cc(CC[N@@H+]2CCN(C)[C@@H](CO)C2)nn1 ZINC001414016141 890035993 /nfs/dbraw/zinc/03/59/93/890035993.db2.gz HEHGZFIXOWMVQH-GFCCVEGCSA-N 1 2 297.359 -1.398 20 0 CAADLO COC(=O)Cn1cc(CC[N@H+]2CCN(C)[C@@H](CO)C2)nn1 ZINC001414016141 890036012 /nfs/dbraw/zinc/03/60/12/890036012.db2.gz HEHGZFIXOWMVQH-GFCCVEGCSA-N 1 2 297.359 -1.398 20 0 CAADLO CN(C)S(=O)(=O)CCC[N@@H+]1CCOC[C@H]1CC(N)=O ZINC001413997656 890039332 /nfs/dbraw/zinc/03/93/32/890039332.db2.gz DYILIBLQDMGGFA-SNVBAGLBSA-N 1 2 293.389 -1.156 20 0 CAADLO CN(C)S(=O)(=O)CCC[N@H+]1CCOC[C@H]1CC(N)=O ZINC001413997656 890039346 /nfs/dbraw/zinc/03/93/46/890039346.db2.gz DYILIBLQDMGGFA-SNVBAGLBSA-N 1 2 293.389 -1.156 20 0 CAADLO CS(=O)(=O)NCC[N@@H+]1CCN2CCOC[C@]2(CO)C1 ZINC001414030654 890042608 /nfs/dbraw/zinc/04/26/08/890042608.db2.gz CNZHDQLDBQXOGJ-LLVKDONJSA-N 1 2 293.389 -2.086 20 0 CAADLO CS(=O)(=O)NCC[N@H+]1CCN2CCOC[C@]2(CO)C1 ZINC001414030654 890042623 /nfs/dbraw/zinc/04/26/23/890042623.db2.gz CNZHDQLDBQXOGJ-LLVKDONJSA-N 1 2 293.389 -2.086 20 0 CAADLO C[S@](=N)(=O)N1CC[NH+](CCC(=O)NC(N)=O)CC1 ZINC001414040891 890043008 /nfs/dbraw/zinc/04/30/08/890043008.db2.gz XNXQTONGAKAOJV-GOSISDBHSA-N 1 2 277.350 -1.219 20 0 CAADLO NC(=O)Cn1cc(C[NH+]2CCC(OCCO)CC2)nn1 ZINC001414115066 890045403 /nfs/dbraw/zinc/04/54/03/890045403.db2.gz AAVWPJWSSMQHTN-UHFFFAOYSA-N 1 2 283.332 -1.263 20 0 CAADLO CNC(=O)C1([NH2+]Cc2cn(CC(N)=O)nn2)CCOCC1 ZINC001414190957 890046441 /nfs/dbraw/zinc/04/64/41/890046441.db2.gz TZDSFTJQOSIGBV-UHFFFAOYSA-N 1 2 296.331 -1.852 20 0 CAADLO NC(=O)Cn1cc(C[NH2+]C[C@@H]2CCCS2(=O)=O)nn1 ZINC001414084651 890046645 /nfs/dbraw/zinc/04/66/45/890046645.db2.gz KTMIIIVDPRUWMO-VIFPVBQESA-N 1 2 287.345 -1.570 20 0 CAADLO O=S(=O)(NCC[NH+]1CCSCC1)[C@@H]1COC[C@H]1O ZINC001414211714 890051405 /nfs/dbraw/zinc/05/14/05/890051405.db2.gz IVXQWHYWSDUQSF-NXEZZACHSA-N 1 2 296.414 -1.286 20 0 CAADLO CCCNC(=O)[C@H](C)NS(=O)(=O)N1CC[NH+](C)CC1 ZINC001414369729 890061406 /nfs/dbraw/zinc/06/14/06/890061406.db2.gz WPXCXTOSILJZSW-JTQLQIEISA-N 1 2 292.405 -1.017 20 0 CAADLO NC(=O)NCC(=O)N[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001414551666 890062997 /nfs/dbraw/zinc/06/29/97/890062997.db2.gz BLVDPCRDFSPWNG-SECBINFHSA-N 1 2 294.315 -1.732 20 0 CAADLO NC(=O)CN1CCN(C(=O)NCCn2cc[nH+]c2)CC1=O ZINC001414546130 890063965 /nfs/dbraw/zinc/06/39/65/890063965.db2.gz WMYPEUBOIXSHIJ-UHFFFAOYSA-N 1 2 294.315 -1.778 20 0 CAADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)N[C@@H]1COC[C@H]1O ZINC001414558117 890068913 /nfs/dbraw/zinc/06/89/13/890068913.db2.gz DXFHLMQMUWDDOC-GMTAPVOTSA-N 1 2 273.333 -1.234 20 0 CAADLO C[C@@H]1COCC[N@H+]1CCNC(=O)N[C@@H]1COC[C@H]1O ZINC001414558117 890068928 /nfs/dbraw/zinc/06/89/28/890068928.db2.gz DXFHLMQMUWDDOC-GMTAPVOTSA-N 1 2 273.333 -1.234 20 0 CAADLO Cn1c[nH+]cc1CNC(=O)N1CCC(O)(C(N)=O)CC1 ZINC001414712438 890074550 /nfs/dbraw/zinc/07/45/50/890074550.db2.gz DUSNINXZXMUMFQ-UHFFFAOYSA-N 1 2 281.316 -1.058 20 0 CAADLO NC(=O)NCC(=O)N[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001414940515 890080954 /nfs/dbraw/zinc/08/09/54/890080954.db2.gz AAYVYPLVQODTIU-QMMMGPOBSA-N 1 2 294.315 -1.662 20 0 CAADLO C[C@H](CNC(=O)[C@H]1COCCO1)NC(=O)Cn1cc[nH+]c1 ZINC001415111705 890082927 /nfs/dbraw/zinc/08/29/27/890082927.db2.gz DHEXKBICQFMNJC-GHMZBOCLSA-N 1 2 296.327 -1.081 20 0 CAADLO C[C@@H](CNC(=O)[C@H]1CCC(=O)N1)NC(=O)Cn1cc[nH+]c1 ZINC001415134084 890084064 /nfs/dbraw/zinc/08/40/64/890084064.db2.gz PITFHNDUPRCGRD-VHSXEESVSA-N 1 2 293.327 -1.217 20 0 CAADLO C[C@H](CNC(=O)[C@H]1CCC(=O)N1)NC(=O)Cn1cc[nH+]c1 ZINC001415134082 890084328 /nfs/dbraw/zinc/08/43/28/890084328.db2.gz PITFHNDUPRCGRD-NXEZZACHSA-N 1 2 293.327 -1.217 20 0 CAADLO C[C@@H](CNC(=O)Cn1cc[nH+]c1)NC(=O)[C@@H]1COC(=O)N1 ZINC001415198700 890085131 /nfs/dbraw/zinc/08/51/31/890085131.db2.gz ZQQJFSWMELYZOG-IUCAKERBSA-N 1 2 295.299 -1.388 20 0 CAADLO C[C@H](CNC(=O)Cn1ncnn1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001415175670 890088670 /nfs/dbraw/zinc/08/86/70/890088670.db2.gz OEJOKFCUHVUMQK-MRVPVSSYSA-N 1 2 292.303 -1.740 20 0 CAADLO C[C@H](CNC(=O)Cn1cncn1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001415321506 890090832 /nfs/dbraw/zinc/09/08/32/890090832.db2.gz UUSQRTIETRWTCF-SECBINFHSA-N 1 2 291.315 -1.135 20 0 CAADLO CN(CCNC(=O)[C@@H]1CCC(=O)N1)C(=O)Cn1cc[nH+]c1 ZINC001415569221 890099166 /nfs/dbraw/zinc/09/91/66/890099166.db2.gz APNNZBAXIOPWIY-JTQLQIEISA-N 1 2 293.327 -1.264 20 0 CAADLO CN(CCNC(=O)Cc1c[nH]c[nH+]1)C(=O)c1ncn(C)n1 ZINC001415628544 890103839 /nfs/dbraw/zinc/10/38/39/890103839.db2.gz DRWACPSVHMAUNC-UHFFFAOYSA-N 1 2 291.315 -1.031 20 0 CAADLO CC(=O)NCC(=O)NC1CN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001415966548 890106356 /nfs/dbraw/zinc/10/63/56/890106356.db2.gz FUYRKUSMBJKYSN-UHFFFAOYSA-N 1 2 279.300 -1.585 20 0 CAADLO COCC(=O)NC[C@@H](O)CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001416703252 890116019 /nfs/dbraw/zinc/11/60/19/890116019.db2.gz DQCHDWRHBGYMEB-GXSJLCMTSA-N 1 2 298.343 -1.172 20 0 CAADLO COCC(=O)NC[C@@H](O)CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001416703252 890116028 /nfs/dbraw/zinc/11/60/28/890116028.db2.gz DQCHDWRHBGYMEB-GXSJLCMTSA-N 1 2 298.343 -1.172 20 0 CAADLO CCOCC(=O)NC[C@H](O)CNC(=O)Cc1[nH]c[nH+]c1C ZINC001416723875 890121853 /nfs/dbraw/zinc/12/18/53/890121853.db2.gz NQLJLTWUCSHKJY-SNVBAGLBSA-N 1 2 298.343 -1.110 20 0 CAADLO CC(=O)NCC(=O)NC[C@@H](O)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001416719674 890122331 /nfs/dbraw/zinc/12/23/31/890122331.db2.gz DYNIJCZQWDYOEQ-JTQLQIEISA-N 1 2 297.315 -2.318 20 0 CAADLO CO[C@@H](C)CC(=O)NC[C@@H](O)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001416739285 890123306 /nfs/dbraw/zinc/12/33/06/890123306.db2.gz OCGMQHDGEUTPLS-GXSJLCMTSA-N 1 2 298.343 -1.030 20 0 CAADLO CO[C@@H](C)CC(=O)NC[C@H](O)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001416739297 890123596 /nfs/dbraw/zinc/12/35/96/890123596.db2.gz OCGMQHDGEUTPLS-ONGXEEELSA-N 1 2 298.343 -1.030 20 0 CAADLO O=C(Cc1[nH]cc[nH+]1)NC[C@@H](O)CNC(=O)c1cnco1 ZINC001416778045 890127388 /nfs/dbraw/zinc/12/73/88/890127388.db2.gz ODJNSTJAHXPVKS-MRVPVSSYSA-N 1 2 293.283 -1.153 20 0 CAADLO C[C@H](CNC(=O)Cc1c[nH]c[nH+]1)NC(=O)[C@H]1COC(=O)N1 ZINC001416806030 890130284 /nfs/dbraw/zinc/13/02/84/890130284.db2.gz SSYQJENGKMRSGZ-VXNVDRBHSA-N 1 2 295.299 -1.319 20 0 CAADLO C[C@H](CNC(=O)CNC(N)=O)NC(=O)Cn1cc[nH+]c1 ZINC001416828658 890130883 /nfs/dbraw/zinc/13/08/83/890130883.db2.gz NBCRJMKYJQOFPT-MRVPVSSYSA-N 1 2 282.304 -1.828 20 0 CAADLO C[C@@H](CNC(=O)CNC(N)=O)NC(=O)Cc1c[nH+]cn1C ZINC001416921543 890132331 /nfs/dbraw/zinc/13/23/31/890132331.db2.gz YHDHOVIXHPUQNU-QMMMGPOBSA-N 1 2 296.331 -1.748 20 0 CAADLO C[C@@H](CNC(=O)Cn1cc[nH+]c1)NC(=O)[C@H]1CCC(=O)N1 ZINC001416879487 890133030 /nfs/dbraw/zinc/13/30/30/890133030.db2.gz KNHBNMIULMZNGM-VHSXEESVSA-N 1 2 293.327 -1.217 20 0 CAADLO C[C@@H](CNC(=O)[C@@H]1COC(=O)N1)NC(=O)Cn1cc[nH+]c1 ZINC001416909346 890133680 /nfs/dbraw/zinc/13/36/80/890133680.db2.gz AAPKGQBNAPOOEK-IUCAKERBSA-N 1 2 295.299 -1.388 20 0 CAADLO O=C(Cn1ncnn1)NC1CC[NH+]([C@H]2CCOC2=O)CC1 ZINC001417687940 890157087 /nfs/dbraw/zinc/15/70/87/890157087.db2.gz GJSWGQCSABDJLZ-JTQLQIEISA-N 1 2 294.315 -1.431 20 0 CAADLO O=C(NC1CC[NH+]([C@@H]2CCOC2=O)CC1)[C@H]1COC(=O)N1 ZINC001417688613 890157552 /nfs/dbraw/zinc/15/75/52/890157552.db2.gz SPPHXWRASRHVGG-NXEZZACHSA-N 1 2 297.311 -1.009 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)C[C@H]1CCC(=O)N1 ZINC001417747741 890167652 /nfs/dbraw/zinc/16/76/52/890167652.db2.gz IKMJCMBFYBBYRQ-MNOVXSKESA-N 1 2 296.371 -1.066 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)C[C@H]1CCC(=O)N1 ZINC001417747741 890167658 /nfs/dbraw/zinc/16/76/58/890167658.db2.gz IKMJCMBFYBBYRQ-MNOVXSKESA-N 1 2 296.371 -1.066 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](C)CC(N)=O ZINC001417745460 890168141 /nfs/dbraw/zinc/16/81/41/890168141.db2.gz UZFAQKYFTXYXHK-VHSXEESVSA-N 1 2 284.360 -1.223 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](C)CC(N)=O ZINC001417745460 890168153 /nfs/dbraw/zinc/16/81/53/890168153.db2.gz UZFAQKYFTXYXHK-VHSXEESVSA-N 1 2 284.360 -1.223 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H](C)CC(N)=O ZINC001417745456 890168242 /nfs/dbraw/zinc/16/82/42/890168242.db2.gz UZFAQKYFTXYXHK-UWVGGRQHSA-N 1 2 284.360 -1.223 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H](C)CC(N)=O ZINC001417745456 890168253 /nfs/dbraw/zinc/16/82/53/890168253.db2.gz UZFAQKYFTXYXHK-UWVGGRQHSA-N 1 2 284.360 -1.223 20 0 CAADLO CN(C[C@H]1CC[N@@H+]1[C@@H]1CCNC1=O)C(=O)Cn1cncn1 ZINC001417743209 890168520 /nfs/dbraw/zinc/16/85/20/890168520.db2.gz IOQFFQXNXPQXIN-GHMZBOCLSA-N 1 2 292.343 -1.301 20 0 CAADLO CN(C[C@H]1CC[N@H+]1[C@@H]1CCNC1=O)C(=O)Cn1cncn1 ZINC001417743209 890168532 /nfs/dbraw/zinc/16/85/32/890168532.db2.gz IOQFFQXNXPQXIN-GHMZBOCLSA-N 1 2 292.343 -1.301 20 0 CAADLO Nc1nnn(CC(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)n1 ZINC001417869429 890173665 /nfs/dbraw/zinc/17/36/65/890173665.db2.gz ZSQCFMVCXZWVIP-DTORHVGOSA-N 1 2 281.320 -1.765 20 0 CAADLO Nc1nnn(CC(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)n1 ZINC001417869429 890173670 /nfs/dbraw/zinc/17/36/70/890173670.db2.gz ZSQCFMVCXZWVIP-DTORHVGOSA-N 1 2 281.320 -1.765 20 0 CAADLO C[C@@H](C(N)=O)[NH+]1CCN(CCNC(=O)c2cn[nH]c2)CC1 ZINC001417914579 890179188 /nfs/dbraw/zinc/17/91/88/890179188.db2.gz AAZIPYYCMZWKIY-JTQLQIEISA-N 1 2 294.359 -1.369 20 0 CAADLO CCC(=O)NCC(=O)N[C@@H]1CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001417935052 890179223 /nfs/dbraw/zinc/17/92/23/890179223.db2.gz ATFUQXYFSIAERS-MRVPVSSYSA-N 1 2 299.331 -2.102 20 0 CAADLO CCC(=O)NCC(=O)N[C@@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001417935052 890179229 /nfs/dbraw/zinc/17/92/29/890179229.db2.gz ATFUQXYFSIAERS-MRVPVSSYSA-N 1 2 299.331 -2.102 20 0 CAADLO Cn1cc(C(=O)N[C@H]2CC[N@H+](CC(=O)NC(N)=O)C2)cn1 ZINC001417929363 890179603 /nfs/dbraw/zinc/17/96/03/890179603.db2.gz NBWKXLREIMPEDU-VIFPVBQESA-N 1 2 294.315 -1.581 20 0 CAADLO Cn1cc(C(=O)N[C@H]2CC[N@@H+](CC(=O)NC(N)=O)C2)cn1 ZINC001417929363 890179610 /nfs/dbraw/zinc/17/96/10/890179610.db2.gz NBWKXLREIMPEDU-VIFPVBQESA-N 1 2 294.315 -1.581 20 0 CAADLO CCO[C@@H](C)C(=O)N[C@H]1CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001417931829 890179816 /nfs/dbraw/zinc/17/98/16/890179816.db2.gz PJZQGVWRKFAIKA-IUCAKERBSA-N 1 2 286.332 -1.203 20 0 CAADLO CCO[C@@H](C)C(=O)N[C@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001417931829 890179821 /nfs/dbraw/zinc/17/98/21/890179821.db2.gz PJZQGVWRKFAIKA-IUCAKERBSA-N 1 2 286.332 -1.203 20 0 CAADLO CC(=O)NCC[NH+]1CCN([C@H](C)C(=O)NC(N)=O)CC1 ZINC001417915403 890180049 /nfs/dbraw/zinc/18/00/49/890180049.db2.gz RVCWAEAQBUEJIN-SECBINFHSA-N 1 2 285.348 -1.677 20 0 CAADLO CNC(=O)NC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cn[nH]c2)C1 ZINC001417930812 890179983 /nfs/dbraw/zinc/17/99/83/890179983.db2.gz DRNGUDAERXNFAA-VIFPVBQESA-N 1 2 294.315 -1.331 20 0 CAADLO CNC(=O)NC(=O)C[N@H+]1CC[C@H](NC(=O)c2cn[nH]c2)C1 ZINC001417930812 890179992 /nfs/dbraw/zinc/17/99/92/890179992.db2.gz DRNGUDAERXNFAA-VIFPVBQESA-N 1 2 294.315 -1.331 20 0 CAADLO NC(=O)NC(=O)C[N@@H+]1CC[C@H](NC(=O)Cc2ccc[nH]2)C1 ZINC001417948959 890181584 /nfs/dbraw/zinc/18/15/84/890181584.db2.gz GRMPZGKENJWZBM-JTQLQIEISA-N 1 2 293.327 -1.057 20 0 CAADLO NC(=O)NC(=O)C[N@H+]1CC[C@H](NC(=O)Cc2ccc[nH]2)C1 ZINC001417948959 890181586 /nfs/dbraw/zinc/18/15/86/890181586.db2.gz GRMPZGKENJWZBM-JTQLQIEISA-N 1 2 293.327 -1.057 20 0 CAADLO CS(=O)(=O)CCCC(=O)N[C@H]1CC[N@H+](CCO)C1 ZINC001417944806 890181745 /nfs/dbraw/zinc/18/17/45/890181745.db2.gz TYQZOWTYZGQJEP-JTQLQIEISA-N 1 2 278.374 -1.006 20 0 CAADLO CS(=O)(=O)CCCC(=O)N[C@H]1CC[N@@H+](CCO)C1 ZINC001417944806 890181750 /nfs/dbraw/zinc/18/17/50/890181750.db2.gz TYQZOWTYZGQJEP-JTQLQIEISA-N 1 2 278.374 -1.006 20 0 CAADLO NC(=O)NC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cc2ccc[nH]2)C1 ZINC001417948963 890182813 /nfs/dbraw/zinc/18/28/13/890182813.db2.gz GRMPZGKENJWZBM-SNVBAGLBSA-N 1 2 293.327 -1.057 20 0 CAADLO NC(=O)NC(=O)C[N@H+]1CC[C@@H](NC(=O)Cc2ccc[nH]2)C1 ZINC001417948963 890182819 /nfs/dbraw/zinc/18/28/19/890182819.db2.gz GRMPZGKENJWZBM-SNVBAGLBSA-N 1 2 293.327 -1.057 20 0 CAADLO CC(=O)N[C@H](C)C(=O)NC[C@H]1CCCC[N@@H+]1CC(N)=O ZINC001418153707 890192652 /nfs/dbraw/zinc/19/26/52/890192652.db2.gz SDQPTQSMZVSJMY-MWLCHTKSSA-N 1 2 284.360 -1.033 20 0 CAADLO CC(=O)N[C@H](C)C(=O)NC[C@H]1CCCC[N@H+]1CC(N)=O ZINC001418153707 890192655 /nfs/dbraw/zinc/19/26/55/890192655.db2.gz SDQPTQSMZVSJMY-MWLCHTKSSA-N 1 2 284.360 -1.033 20 0 CAADLO CC(=O)N(C)CC(=O)NC[C@@H](C)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001418194949 890196793 /nfs/dbraw/zinc/19/67/93/890196793.db2.gz MUDFSLOPIGNPQS-MRVPVSSYSA-N 1 2 298.347 -1.819 20 0 CAADLO C[C@@H](CNC(=O)Cn1ncnn1)[NH2+]Cc1cnsn1 ZINC001418228260 890199097 /nfs/dbraw/zinc/19/90/97/890199097.db2.gz QODREWXUBQRPQW-ZETCQYMHSA-N 1 2 282.333 -1.181 20 0 CAADLO CC(=O)N[C@@H](C)C(=O)NCC[N@H+](C)CC(=O)N1CCC1 ZINC001418437691 890215947 /nfs/dbraw/zinc/21/59/47/890215947.db2.gz CXPFRMMRYPKGJW-JTQLQIEISA-N 1 2 284.360 -1.209 20 0 CAADLO CC(=O)N[C@@H](C)C(=O)NCC[N@@H+](C)CC(=O)N1CCC1 ZINC001418437691 890215964 /nfs/dbraw/zinc/21/59/64/890215964.db2.gz CXPFRMMRYPKGJW-JTQLQIEISA-N 1 2 284.360 -1.209 20 0 CAADLO COCC(=O)NCC[N@H+](C)CC(=O)NC[C@@H]1CCOC1 ZINC001418434059 890218091 /nfs/dbraw/zinc/21/80/91/890218091.db2.gz FESCPMMDJUMKHM-NSHDSACASA-N 1 2 287.360 -1.167 20 0 CAADLO COCC(=O)NCC[N@@H+](C)CC(=O)NC[C@@H]1CCOC1 ZINC001418434059 890218102 /nfs/dbraw/zinc/21/81/02/890218102.db2.gz FESCPMMDJUMKHM-NSHDSACASA-N 1 2 287.360 -1.167 20 0 CAADLO COCC(=O)NCC[N@H+](C)CC(=O)NC[C@H]1CCOC1 ZINC001418434058 890218511 /nfs/dbraw/zinc/21/85/11/890218511.db2.gz FESCPMMDJUMKHM-LLVKDONJSA-N 1 2 287.360 -1.167 20 0 CAADLO COCC(=O)NCC[N@@H+](C)CC(=O)NC[C@H]1CCOC1 ZINC001418434058 890218528 /nfs/dbraw/zinc/21/85/28/890218528.db2.gz FESCPMMDJUMKHM-LLVKDONJSA-N 1 2 287.360 -1.167 20 0 CAADLO Cn1nccc1C[N@H+](C)CCNC(=O)Cn1ncnn1 ZINC001418460939 890221242 /nfs/dbraw/zinc/22/12/42/890221242.db2.gz MLWWKOYDXFRWAC-UHFFFAOYSA-N 1 2 278.320 -1.345 20 0 CAADLO Cn1nccc1C[N@@H+](C)CCNC(=O)Cn1ncnn1 ZINC001418460939 890221261 /nfs/dbraw/zinc/22/12/61/890221261.db2.gz MLWWKOYDXFRWAC-UHFFFAOYSA-N 1 2 278.320 -1.345 20 0 CAADLO CCC(=O)N[C@H](C)C(=O)NCC[N@H+](C)CC(=O)NC ZINC001418464357 890223330 /nfs/dbraw/zinc/22/33/30/890223330.db2.gz YQMLFBQZKBESRT-SECBINFHSA-N 1 2 272.349 -1.305 20 0 CAADLO CCC(=O)N[C@H](C)C(=O)NCC[N@@H+](C)CC(=O)NC ZINC001418464357 890223343 /nfs/dbraw/zinc/22/33/43/890223343.db2.gz YQMLFBQZKBESRT-SECBINFHSA-N 1 2 272.349 -1.305 20 0 CAADLO CCN1CCOC[C@H]1C(=O)NCC[N@H+](C)CC(N)=O ZINC001418473789 890225077 /nfs/dbraw/zinc/22/50/77/890225077.db2.gz MWZKKZWZYJRRAJ-JTQLQIEISA-N 1 2 272.349 -1.760 20 0 CAADLO CCN1CCOC[C@H]1C(=O)NCC[N@@H+](C)CC(N)=O ZINC001418473789 890225092 /nfs/dbraw/zinc/22/50/92/890225092.db2.gz MWZKKZWZYJRRAJ-JTQLQIEISA-N 1 2 272.349 -1.760 20 0 CAADLO Cc1cc(OCC(=O)NCC[N@@H+](C)CC(N)=O)no1 ZINC001418470355 890226662 /nfs/dbraw/zinc/22/66/62/890226662.db2.gz NKJUFRPCUYRSOI-UHFFFAOYSA-N 1 2 270.289 -1.105 20 0 CAADLO Cc1cc(OCC(=O)NCC[N@H+](C)CC(N)=O)no1 ZINC001418470355 890226679 /nfs/dbraw/zinc/22/66/79/890226679.db2.gz NKJUFRPCUYRSOI-UHFFFAOYSA-N 1 2 270.289 -1.105 20 0 CAADLO CC[C@@H](C)NC(=O)C[N@H+](C)CCNC(=O)[C@@H]1CNC(=O)N1 ZINC001418493311 890228187 /nfs/dbraw/zinc/22/81/87/890228187.db2.gz FSEBVJRXRPYHBF-ZJUUUORDSA-N 1 2 299.375 -1.370 20 0 CAADLO CC[C@@H](C)NC(=O)C[N@@H+](C)CCNC(=O)[C@@H]1CNC(=O)N1 ZINC001418493311 890228202 /nfs/dbraw/zinc/22/82/02/890228202.db2.gz FSEBVJRXRPYHBF-ZJUUUORDSA-N 1 2 299.375 -1.370 20 0 CAADLO Cn1[nH]c(C[N@H+](C)CCNC(=O)[C@@H]2CCC(=O)N2)nc1=O ZINC001418514422 890231377 /nfs/dbraw/zinc/23/13/77/890231377.db2.gz UPAIHWHIOVHFID-QMMMGPOBSA-N 1 2 296.331 -2.065 20 0 CAADLO Cn1[nH]c(C[N@@H+](C)CCNC(=O)[C@@H]2CCC(=O)N2)nc1=O ZINC001418514422 890231396 /nfs/dbraw/zinc/23/13/96/890231396.db2.gz UPAIHWHIOVHFID-QMMMGPOBSA-N 1 2 296.331 -2.065 20 0 CAADLO CCNC(=O)C[N@H+](C)CCNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001418497750 890231625 /nfs/dbraw/zinc/23/16/25/890231625.db2.gz BVJVVWLFPNGHJC-QMMMGPOBSA-N 1 2 299.331 -2.231 20 0 CAADLO CCNC(=O)C[N@@H+](C)CCNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001418497750 890231640 /nfs/dbraw/zinc/23/16/40/890231640.db2.gz BVJVVWLFPNGHJC-QMMMGPOBSA-N 1 2 299.331 -2.231 20 0 CAADLO CCNC(=O)C[N@H+](C)CCNC(=O)CS(=O)(=O)NC ZINC001418524208 890234575 /nfs/dbraw/zinc/23/45/75/890234575.db2.gz HUMPJCFMAFNGNH-UHFFFAOYSA-N 1 2 294.377 -2.280 20 0 CAADLO CCNC(=O)C[N@@H+](C)CCNC(=O)CS(=O)(=O)NC ZINC001418524208 890234589 /nfs/dbraw/zinc/23/45/89/890234589.db2.gz HUMPJCFMAFNGNH-UHFFFAOYSA-N 1 2 294.377 -2.280 20 0 CAADLO C[N@H+](CCNC(=O)Cc1nc[nH]n1)CC(=O)NC1CC1 ZINC001418512538 890235452 /nfs/dbraw/zinc/23/54/52/890235452.db2.gz LPBIIDXFZJDOFQ-UHFFFAOYSA-N 1 2 280.332 -1.326 20 0 CAADLO C[N@@H+](CCNC(=O)Cc1nc[nH]n1)CC(=O)NC1CC1 ZINC001418512538 890235467 /nfs/dbraw/zinc/23/54/67/890235467.db2.gz LPBIIDXFZJDOFQ-UHFFFAOYSA-N 1 2 280.332 -1.326 20 0 CAADLO C[N@H+](CCNC(=O)[C@H]1CCc2nncn2C1)CC(N)=O ZINC001418529146 890237178 /nfs/dbraw/zinc/23/71/78/890237178.db2.gz ZGSXJLODFPNTJI-VIFPVBQESA-N 1 2 280.332 -1.626 20 0 CAADLO C[N@@H+](CCNC(=O)[C@H]1CCc2nncn2C1)CC(N)=O ZINC001418529146 890237191 /nfs/dbraw/zinc/23/71/91/890237191.db2.gz ZGSXJLODFPNTJI-VIFPVBQESA-N 1 2 280.332 -1.626 20 0 CAADLO C[N@H+](CCNC(=O)[C@@H]1CCc2nncn2C1)CC(N)=O ZINC001418529145 890241350 /nfs/dbraw/zinc/24/13/50/890241350.db2.gz ZGSXJLODFPNTJI-SECBINFHSA-N 1 2 280.332 -1.626 20 0 CAADLO C[N@@H+](CCNC(=O)[C@@H]1CCc2nncn2C1)CC(N)=O ZINC001418529145 890241362 /nfs/dbraw/zinc/24/13/62/890241362.db2.gz ZGSXJLODFPNTJI-SECBINFHSA-N 1 2 280.332 -1.626 20 0 CAADLO C[C@H](C(=O)N1C[C@@H](C(N)=O)[C@H](C(N)=O)C1)n1cc[nH+]c1 ZINC001418592130 890241936 /nfs/dbraw/zinc/24/19/36/890241936.db2.gz QGDKCZVKZGNXTM-IWSPIJDZSA-N 1 2 279.300 -1.511 20 0 CAADLO CN(C)C(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)CCNC(N)=O ZINC001418602811 890244704 /nfs/dbraw/zinc/24/47/04/890244704.db2.gz LWKOMNABVDYONW-SNVBAGLBSA-N 1 2 299.375 -1.334 20 0 CAADLO CN(C)C(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)CCNC(N)=O ZINC001418602811 890244720 /nfs/dbraw/zinc/24/47/20/890244720.db2.gz LWKOMNABVDYONW-SNVBAGLBSA-N 1 2 299.375 -1.334 20 0 CAADLO Cn1cnn(CCC(=O)N[C@H](CO)c2c[nH+]cn2C)c1=O ZINC001418611875 890247798 /nfs/dbraw/zinc/24/77/98/890247798.db2.gz FIIWPQSBSDRWGM-SECBINFHSA-N 1 2 294.315 -1.445 20 0 CAADLO Cn1cnn(CCC(=O)N[C@@H](CO)c2c[nH+]cn2C)c1=O ZINC001418611897 890249976 /nfs/dbraw/zinc/24/99/76/890249976.db2.gz FIIWPQSBSDRWGM-VIFPVBQESA-N 1 2 294.315 -1.445 20 0 CAADLO O=C(N[C@@H]1CS(=O)(=O)C[C@H]1O)[C@H]1CCn2c[nH+]cc2C1 ZINC001418778075 890262901 /nfs/dbraw/zinc/26/29/01/890262901.db2.gz XBACNMNEXRNLLE-JMJZKYOTSA-N 1 2 299.352 -1.280 20 0 CAADLO CNC(=O)NC(=O)C[N@@H+]1CC[C@H](NC(=O)COC)[C@H]1C ZINC001418778207 890263527 /nfs/dbraw/zinc/26/35/27/890263527.db2.gz XOWLCWBMUNXVNX-BDAKNGLRSA-N 1 2 286.332 -1.333 20 0 CAADLO CNC(=O)NC(=O)C[N@H+]1CC[C@H](NC(=O)COC)[C@H]1C ZINC001418778207 890263545 /nfs/dbraw/zinc/26/35/45/890263545.db2.gz XOWLCWBMUNXVNX-BDAKNGLRSA-N 1 2 286.332 -1.333 20 0 CAADLO CNC(=O)NCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC(N)=O ZINC001418851332 890264041 /nfs/dbraw/zinc/26/40/41/890264041.db2.gz WEWKEPYVHOYCPL-AOOOYVTPSA-N 1 2 297.359 -1.534 20 0 CAADLO CNC(=O)NCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(N)=O ZINC001418851332 890264056 /nfs/dbraw/zinc/26/40/56/890264056.db2.gz WEWKEPYVHOYCPL-AOOOYVTPSA-N 1 2 297.359 -1.534 20 0 CAADLO C[N@@H+]1CCN(C(=O)c2cn(CC(N)=O)nn2)C[C@H]1CO ZINC001418910346 890270805 /nfs/dbraw/zinc/27/08/05/890270805.db2.gz FLUAWUOIMBHTLC-QMMMGPOBSA-N 1 2 282.304 -2.488 20 0 CAADLO C[N@H+]1CCN(C(=O)c2cn(CC(N)=O)nn2)C[C@H]1CO ZINC001418910346 890270818 /nfs/dbraw/zinc/27/08/18/890270818.db2.gz FLUAWUOIMBHTLC-QMMMGPOBSA-N 1 2 282.304 -2.488 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(NC(=O)[C@@H](C)n2cncn2)C1 ZINC001418967308 890278659 /nfs/dbraw/zinc/27/86/59/890278659.db2.gz XITFXKHDEOJMMO-KOLCDFICSA-N 1 2 283.332 -1.353 20 0 CAADLO COC[C@H](O)C[NH+]1CC(NC(=O)CNC(=O)OC)C1 ZINC001418967285 890278905 /nfs/dbraw/zinc/27/89/05/890278905.db2.gz LZWYKPFITJXEHE-SECBINFHSA-N 1 2 275.305 -1.850 20 0 CAADLO CCS(=O)(=O)NCC(=O)NC1C[NH+](C[C@H](C)O)C1 ZINC001418973368 890279050 /nfs/dbraw/zinc/27/90/50/890279050.db2.gz GXLHOGUMZLYYQW-QMMMGPOBSA-N 1 2 279.362 -1.893 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(NC(=O)c2cc(OC)ncn2)C1 ZINC001418972776 890279090 /nfs/dbraw/zinc/27/90/90/890279090.db2.gz RYPWEGBMXGMABX-JTQLQIEISA-N 1 2 296.327 -1.094 20 0 CAADLO CNC(=O)NCC(=O)NC1C[NH+](CCn2cccn2)C1 ZINC001418975224 890279778 /nfs/dbraw/zinc/27/97/78/890279778.db2.gz WFTPUUWOSNEJEZ-UHFFFAOYSA-N 1 2 280.332 -1.388 20 0 CAADLO COC[C@H](O)C[NH+]1CC(NC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001418988516 890281193 /nfs/dbraw/zinc/28/11/93/890281193.db2.gz BWLGCBUFJYKQHP-WYUUTHIRSA-N 1 2 270.329 -1.314 20 0 CAADLO CNS(=O)(=O)NCC(=O)NC1C[NH+](C[C@H](C)O)C1 ZINC001418986598 890281557 /nfs/dbraw/zinc/28/15/57/890281557.db2.gz ADYWBBPGEXFTKO-ZETCQYMHSA-N 1 2 280.350 -2.779 20 0 CAADLO COC[C@H](O)C[NH+]1CC(NC(=O)C[C@@H]2CCN(C)C2=O)C1 ZINC001418977286 890282217 /nfs/dbraw/zinc/28/22/17/890282217.db2.gz FXJFYZFMBJSJNL-CMPLNLGQSA-N 1 2 299.371 -1.338 20 0 CAADLO COC[C@H](O)C[NH+]1CC(NC(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC001418989452 890283274 /nfs/dbraw/zinc/28/32/74/890283274.db2.gz DGMSEFPJOQLQKZ-ZJUUUORDSA-N 1 2 286.332 -2.182 20 0 CAADLO CC(C)OCC[NH+]1CC(NC(=O)Cn2ncn(C)c2=O)C1 ZINC001418980887 890283919 /nfs/dbraw/zinc/28/39/19/890283919.db2.gz WLNDXCRLDYWMJC-UHFFFAOYSA-N 1 2 297.359 -1.193 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(NC(=O)C[C@@H]2CCN(C)C2=O)C1 ZINC001418977288 890284152 /nfs/dbraw/zinc/28/41/52/890284152.db2.gz FXJFYZFMBJSJNL-JQWIXIFHSA-N 1 2 299.371 -1.338 20 0 CAADLO CNC(=O)NC(=O)C[NH+]1CC(CNC(=O)CCOC)C1 ZINC001419006193 890285350 /nfs/dbraw/zinc/28/53/50/890285350.db2.gz CHSGTYFNZLRYBO-UHFFFAOYSA-N 1 2 286.332 -1.474 20 0 CAADLO CCS(=O)(=O)CC(=O)N[C@H](CO)Cc1c[nH]c[nH+]1 ZINC001418996472 890285391 /nfs/dbraw/zinc/28/53/91/890285391.db2.gz BNEHVVYFTSNACC-VIFPVBQESA-N 1 2 275.330 -1.136 20 0 CAADLO CCS(=O)(=O)CC(=O)N[C@H](CO)Cc1c[nH+]c[nH]1 ZINC001418996472 890285404 /nfs/dbraw/zinc/28/54/04/890285404.db2.gz BNEHVVYFTSNACC-VIFPVBQESA-N 1 2 275.330 -1.136 20 0 CAADLO C[C@H](C(=O)NC(N)=O)[NH+]1CC(CNC(=O)c2cocn2)C1 ZINC001419008915 890286392 /nfs/dbraw/zinc/28/63/92/890286392.db2.gz AVNOVOJJLIEULD-SSDOTTSWSA-N 1 2 295.299 -1.080 20 0 CAADLO CCCCS(=O)(=O)NCC(=O)NC1C[NH+](CCO)C1 ZINC001419001080 890286503 /nfs/dbraw/zinc/28/65/03/890286503.db2.gz ZMPIJIZDLCQZTJ-UHFFFAOYSA-N 1 2 293.389 -1.501 20 0 CAADLO C[C@@H](C(=O)NC(N)=O)[NH+]1CC(CNC(=O)c2cocn2)C1 ZINC001419008943 890286641 /nfs/dbraw/zinc/28/66/41/890286641.db2.gz AVNOVOJJLIEULD-ZETCQYMHSA-N 1 2 295.299 -1.080 20 0 CAADLO CCS(=O)(=O)N(C)CC(=O)NC1C[NH+](CCOC)C1 ZINC001418998381 890286713 /nfs/dbraw/zinc/28/67/13/890286713.db2.gz NOUKHNCCOZYMSR-UHFFFAOYSA-N 1 2 293.389 -1.285 20 0 CAADLO CCO[C@H]1C[C@H]1C(=O)NCC1C[NH+](CC(=O)NC(N)=O)C1 ZINC001419011104 890287719 /nfs/dbraw/zinc/28/77/19/890287719.db2.gz XZVIXQZVAGNPNW-ZJUUUORDSA-N 1 2 298.343 -1.346 20 0 CAADLO COC[C@H](O)C[NH+]1CC(NC(=O)CCCC(N)=O)C1 ZINC001419003440 890287992 /nfs/dbraw/zinc/28/79/92/890287992.db2.gz KKYQTQPRXIAPHD-SNVBAGLBSA-N 1 2 273.333 -1.550 20 0 CAADLO COCCS(=O)(=O)CC(=O)NCC1C[NH+](CCO)C1 ZINC001419027034 890289946 /nfs/dbraw/zinc/28/99/46/890289946.db2.gz RZLURVXFVAHJCF-UHFFFAOYSA-N 1 2 294.373 -1.912 20 0 CAADLO CNC(=O)C[NH+]1CC(CNC(=O)C[C@@H]2COC(=O)C2)C1 ZINC001419016768 890289792 /nfs/dbraw/zinc/28/97/92/890289792.db2.gz QROQXWINQVGNOY-VIFPVBQESA-N 1 2 283.328 -1.266 20 0 CAADLO CO[C@H](C(=O)NCC1C[NH+](CC(N)=O)C1)c1cnn(C)c1 ZINC001419024366 890289910 /nfs/dbraw/zinc/28/99/10/890289910.db2.gz AKERYVZVIWROPY-LBPRGKRZSA-N 1 2 295.343 -1.359 20 0 CAADLO NC(=O)NC(=O)C[NH+]1CC(CNC(=O)c2ccns2)C1 ZINC001419019550 890290899 /nfs/dbraw/zinc/29/08/99/890290899.db2.gz NGDOYYCLJIMTJF-UHFFFAOYSA-N 1 2 297.340 -1.000 20 0 CAADLO CNC(=O)NC(=O)C[NH+]1CC(CNC(=O)[C@H]2CCOC2)C1 ZINC001419014356 890291093 /nfs/dbraw/zinc/29/10/93/890291093.db2.gz VTNVTAFCEFOSNT-JTQLQIEISA-N 1 2 298.343 -1.474 20 0 CAADLO CCN(C)C(=O)C[NH+]1CC(CNC(=O)c2nnn(C)n2)C1 ZINC001419029945 890291518 /nfs/dbraw/zinc/29/15/18/890291518.db2.gz SSSZPZXCJQVRCS-UHFFFAOYSA-N 1 2 295.347 -1.650 20 0 CAADLO NC(=O)NC(=O)C[N@@H+]1CC[C@H](NC(=O)c2ncc[nH]2)C1 ZINC001419060089 890293259 /nfs/dbraw/zinc/29/32/59/890293259.db2.gz OZEUKQPVYBUYDG-ZETCQYMHSA-N 1 2 280.288 -1.591 20 0 CAADLO NC(=O)NC(=O)C[N@H+]1CC[C@H](NC(=O)c2ncc[nH]2)C1 ZINC001419060089 890293274 /nfs/dbraw/zinc/29/32/74/890293274.db2.gz OZEUKQPVYBUYDG-ZETCQYMHSA-N 1 2 280.288 -1.591 20 0 CAADLO CNC(=O)C[N@@H+]1CCC[C@H](NC(=O)C[C@@H](C)NC(N)=O)C1 ZINC001419096707 890298813 /nfs/dbraw/zinc/29/88/13/890298813.db2.gz YUPZPGNOVACARH-ZJUUUORDSA-N 1 2 299.375 -1.240 20 0 CAADLO CNC(=O)C[N@H+]1CCC[C@H](NC(=O)C[C@@H](C)NC(N)=O)C1 ZINC001419096707 890298830 /nfs/dbraw/zinc/29/88/30/890298830.db2.gz YUPZPGNOVACARH-ZJUUUORDSA-N 1 2 299.375 -1.240 20 0 CAADLO CNC(=O)NCC(=O)N(C)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001419111236 890299250 /nfs/dbraw/zinc/29/92/50/890299250.db2.gz IQOOLNPXMUQZEF-QMMMGPOBSA-N 1 2 271.321 -2.067 20 0 CAADLO CNC(=O)NCC(=O)N(C)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001419111236 890299258 /nfs/dbraw/zinc/29/92/58/890299258.db2.gz IQOOLNPXMUQZEF-QMMMGPOBSA-N 1 2 271.321 -2.067 20 0 CAADLO CC(=O)N(C)CC(=O)N[C@@H]1CCC[N@H+](CC(N)=O)C1 ZINC001419091015 890299952 /nfs/dbraw/zinc/29/99/52/890299952.db2.gz XJJDBZTZXYRDPO-SNVBAGLBSA-N 1 2 270.333 -1.469 20 0 CAADLO CC(=O)N(C)CC(=O)N[C@@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001419091015 890299966 /nfs/dbraw/zinc/29/99/66/890299966.db2.gz XJJDBZTZXYRDPO-SNVBAGLBSA-N 1 2 270.333 -1.469 20 0 CAADLO CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001419097797 890300203 /nfs/dbraw/zinc/30/02/03/890300203.db2.gz XCBBDCYEIKLVOF-UWVGGRQHSA-N 1 2 297.359 -1.616 20 0 CAADLO CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001419097797 890300218 /nfs/dbraw/zinc/30/02/18/890300218.db2.gz XCBBDCYEIKLVOF-UWVGGRQHSA-N 1 2 297.359 -1.616 20 0 CAADLO COCC(=O)N[C@H]1CCC[N@H+](CC(=O)NC(N)=O)C1 ZINC001419089648 890300722 /nfs/dbraw/zinc/30/07/22/890300722.db2.gz NWPCGNKVHLBPOE-QMMMGPOBSA-N 1 2 272.305 -1.592 20 0 CAADLO COCC(=O)N[C@H]1CCC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001419089648 890300737 /nfs/dbraw/zinc/30/07/37/890300737.db2.gz NWPCGNKVHLBPOE-QMMMGPOBSA-N 1 2 272.305 -1.592 20 0 CAADLO NS(=O)(=O)N1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001419093234 890301175 /nfs/dbraw/zinc/30/11/75/890301175.db2.gz OQZYZEILMIGXBY-RKDXNWHRSA-N 1 2 299.356 -1.139 20 0 CAADLO NS(=O)(=O)N1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001419093234 890301185 /nfs/dbraw/zinc/30/11/85/890301185.db2.gz OQZYZEILMIGXBY-RKDXNWHRSA-N 1 2 299.356 -1.139 20 0 CAADLO CNC(=O)NCC(=O)N(C)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001419111230 890301326 /nfs/dbraw/zinc/30/13/26/890301326.db2.gz IQOOLNPXMUQZEF-MRVPVSSYSA-N 1 2 271.321 -2.067 20 0 CAADLO CNC(=O)NCC(=O)N(C)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001419111230 890301339 /nfs/dbraw/zinc/30/13/39/890301339.db2.gz IQOOLNPXMUQZEF-MRVPVSSYSA-N 1 2 271.321 -2.067 20 0 CAADLO CNC(=O)C[N@@H+]1CCC[C@H](NC(=O)[C@@H](C)NC(C)=O)C1 ZINC001419088128 890301583 /nfs/dbraw/zinc/30/15/83/890301583.db2.gz KZNWOSHISNMFRS-KOLCDFICSA-N 1 2 284.360 -1.162 20 0 CAADLO CNC(=O)C[N@H+]1CCC[C@H](NC(=O)[C@@H](C)NC(C)=O)C1 ZINC001419088128 890301596 /nfs/dbraw/zinc/30/15/96/890301596.db2.gz KZNWOSHISNMFRS-KOLCDFICSA-N 1 2 284.360 -1.162 20 0 CAADLO COCC(=O)NCCN1CC[NH+]([C@H](C)C(N)=O)CC1 ZINC001419105677 890301907 /nfs/dbraw/zinc/30/19/07/890301907.db2.gz QUAYFVPKCISXNM-SNVBAGLBSA-N 1 2 272.349 -1.760 20 0 CAADLO CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCNC(=O)C2)C1 ZINC001419154190 890302430 /nfs/dbraw/zinc/30/24/30/890302430.db2.gz ITMWSZPGZINVDY-MNOVXSKESA-N 1 2 296.371 -1.161 20 0 CAADLO CCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCNC(=O)C2)C1 ZINC001419154190 890302446 /nfs/dbraw/zinc/30/24/46/890302446.db2.gz ITMWSZPGZINVDY-MNOVXSKESA-N 1 2 296.371 -1.161 20 0 CAADLO CCN(C(=O)[C@H](C)NC(N)=O)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001419145058 890303059 /nfs/dbraw/zinc/30/30/59/890303059.db2.gz ANOMNDPAUWJWIJ-DTWKUNHWSA-N 1 2 285.348 -1.549 20 0 CAADLO CCN(C(=O)[C@H](C)NC(N)=O)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001419145058 890303072 /nfs/dbraw/zinc/30/30/72/890303072.db2.gz ANOMNDPAUWJWIJ-DTWKUNHWSA-N 1 2 285.348 -1.549 20 0 CAADLO COC[C@H](C)C(=O)N[C@H]1CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001419147715 890306256 /nfs/dbraw/zinc/30/62/56/890306256.db2.gz PQYDXSNBBKWZEK-IUCAKERBSA-N 1 2 286.332 -1.346 20 0 CAADLO COC[C@H](C)C(=O)N[C@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001419147715 890306273 /nfs/dbraw/zinc/30/62/73/890306273.db2.gz PQYDXSNBBKWZEK-IUCAKERBSA-N 1 2 286.332 -1.346 20 0 CAADLO COC[C@H](C)C(=O)N[C@@H]1CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001419147714 890306749 /nfs/dbraw/zinc/30/67/49/890306749.db2.gz PQYDXSNBBKWZEK-DTWKUNHWSA-N 1 2 286.332 -1.346 20 0 CAADLO COC[C@H](C)C(=O)N[C@@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001419147714 890306764 /nfs/dbraw/zinc/30/67/64/890306764.db2.gz PQYDXSNBBKWZEK-DTWKUNHWSA-N 1 2 286.332 -1.346 20 0 CAADLO NC(=O)NC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCO2)C1 ZINC001419145065 890307521 /nfs/dbraw/zinc/30/75/21/890307521.db2.gz XMSPWVIWPRILOJ-DTWKUNHWSA-N 1 2 284.316 -1.449 20 0 CAADLO NC(=O)NC(=O)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCCO2)C1 ZINC001419145065 890307536 /nfs/dbraw/zinc/30/75/36/890307536.db2.gz XMSPWVIWPRILOJ-DTWKUNHWSA-N 1 2 284.316 -1.449 20 0 CAADLO Cc1c[nH]nc1C(=O)N[C@H]1CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001419165416 890308746 /nfs/dbraw/zinc/30/87/46/890308746.db2.gz UDZGFKPWVNAQCB-QMMMGPOBSA-N 1 2 294.315 -1.283 20 0 CAADLO Cc1c[nH]nc1C(=O)N[C@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001419165416 890308757 /nfs/dbraw/zinc/30/87/57/890308757.db2.gz UDZGFKPWVNAQCB-QMMMGPOBSA-N 1 2 294.315 -1.283 20 0 CAADLO CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)C2CN(C(C)=O)C2)C1 ZINC001419159103 890308902 /nfs/dbraw/zinc/30/89/02/890308902.db2.gz KISHBKRKWANXOF-LBPRGKRZSA-N 1 2 296.371 -1.209 20 0 CAADLO CCNC(=O)C[N@H+]1CC[C@H](NC(=O)C2CN(C(C)=O)C2)C1 ZINC001419159103 890308914 /nfs/dbraw/zinc/30/89/14/890308914.db2.gz KISHBKRKWANXOF-LBPRGKRZSA-N 1 2 296.371 -1.209 20 0 CAADLO CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCNC(=O)C2)C1 ZINC001419155377 890309358 /nfs/dbraw/zinc/30/93/58/890309358.db2.gz ITMWSZPGZINVDY-QWRGUYRKSA-N 1 2 296.371 -1.161 20 0 CAADLO CCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCNC(=O)C2)C1 ZINC001419155377 890309370 /nfs/dbraw/zinc/30/93/70/890309370.db2.gz ITMWSZPGZINVDY-QWRGUYRKSA-N 1 2 296.371 -1.161 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)CO[C@H]2CCOC2)C1 ZINC001419163483 890309498 /nfs/dbraw/zinc/30/94/98/890309498.db2.gz POZQCBQLBUAIEB-UWVGGRQHSA-N 1 2 271.317 -1.532 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)CO[C@H]2CCOC2)C1 ZINC001419163483 890309514 /nfs/dbraw/zinc/30/95/14/890309514.db2.gz POZQCBQLBUAIEB-UWVGGRQHSA-N 1 2 271.317 -1.532 20 0 CAADLO CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@]2(C)CCC(=O)N2)C1 ZINC001419171263 890309633 /nfs/dbraw/zinc/30/96/33/890309633.db2.gz BMIQAOJBJRGNLD-HZMBPMFUSA-N 1 2 296.371 -1.018 20 0 CAADLO CCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@]2(C)CCC(=O)N2)C1 ZINC001419171263 890309648 /nfs/dbraw/zinc/30/96/48/890309648.db2.gz BMIQAOJBJRGNLD-HZMBPMFUSA-N 1 2 296.371 -1.018 20 0 CAADLO O=C(CCc1cn[nH]n1)N[C@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001419174612 890310315 /nfs/dbraw/zinc/31/03/15/890310315.db2.gz VXTPIZKNVHSWFX-WDEREUQCSA-N 1 2 292.343 -1.184 20 0 CAADLO O=C(CCc1cn[nH]n1)N[C@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001419174612 890310332 /nfs/dbraw/zinc/31/03/32/890310332.db2.gz VXTPIZKNVHSWFX-WDEREUQCSA-N 1 2 292.343 -1.184 20 0 CAADLO O=C(CCc1c[nH]nn1)N[C@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001419174612 890310345 /nfs/dbraw/zinc/31/03/45/890310345.db2.gz VXTPIZKNVHSWFX-WDEREUQCSA-N 1 2 292.343 -1.184 20 0 CAADLO O=C(CCc1c[nH]nn1)N[C@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001419174612 890310359 /nfs/dbraw/zinc/31/03/59/890310359.db2.gz VXTPIZKNVHSWFX-WDEREUQCSA-N 1 2 292.343 -1.184 20 0 CAADLO CNC(=O)CCCC(=O)N[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001419162201 890310406 /nfs/dbraw/zinc/31/04/06/890310406.db2.gz RESXPFOPZACWAQ-SECBINFHSA-N 1 2 270.333 -1.422 20 0 CAADLO CNC(=O)CCCC(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001419162201 890310423 /nfs/dbraw/zinc/31/04/23/890310423.db2.gz RESXPFOPZACWAQ-SECBINFHSA-N 1 2 270.333 -1.422 20 0 CAADLO CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCNC(=O)C2)C1 ZINC001419155380 890310460 /nfs/dbraw/zinc/31/04/60/890310460.db2.gz ITMWSZPGZINVDY-WDEREUQCSA-N 1 2 296.371 -1.161 20 0 CAADLO CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CCNC(=O)C2)C1 ZINC001419155380 890310475 /nfs/dbraw/zinc/31/04/75/890310475.db2.gz ITMWSZPGZINVDY-WDEREUQCSA-N 1 2 296.371 -1.161 20 0 CAADLO O=C(CCc1cn[nH]n1)N[C@@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001419174558 890310565 /nfs/dbraw/zinc/31/05/65/890310565.db2.gz VXTPIZKNVHSWFX-GHMZBOCLSA-N 1 2 292.343 -1.184 20 0 CAADLO O=C(CCc1cn[nH]n1)N[C@@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001419174558 890310581 /nfs/dbraw/zinc/31/05/81/890310581.db2.gz VXTPIZKNVHSWFX-GHMZBOCLSA-N 1 2 292.343 -1.184 20 0 CAADLO O=C(CCc1c[nH]nn1)N[C@@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001419174558 890310595 /nfs/dbraw/zinc/31/05/95/890310595.db2.gz VXTPIZKNVHSWFX-GHMZBOCLSA-N 1 2 292.343 -1.184 20 0 CAADLO O=C(CCc1c[nH]nn1)N[C@@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001419174558 890310604 /nfs/dbraw/zinc/31/06/04/890310604.db2.gz VXTPIZKNVHSWFX-GHMZBOCLSA-N 1 2 292.343 -1.184 20 0 CAADLO O=C(CCc1cn[nH]n1)N[C@H]1CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001419174592 890310972 /nfs/dbraw/zinc/31/09/72/890310972.db2.gz VXTPIZKNVHSWFX-QWRGUYRKSA-N 1 2 292.343 -1.184 20 0 CAADLO O=C(CCc1cn[nH]n1)N[C@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001419174592 890310986 /nfs/dbraw/zinc/31/09/86/890310986.db2.gz VXTPIZKNVHSWFX-QWRGUYRKSA-N 1 2 292.343 -1.184 20 0 CAADLO O=C(CCc1c[nH]nn1)N[C@H]1CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001419174592 890311002 /nfs/dbraw/zinc/31/10/02/890311002.db2.gz VXTPIZKNVHSWFX-QWRGUYRKSA-N 1 2 292.343 -1.184 20 0 CAADLO O=C(CCc1c[nH]nn1)N[C@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001419174592 890311016 /nfs/dbraw/zinc/31/10/16/890311016.db2.gz VXTPIZKNVHSWFX-QWRGUYRKSA-N 1 2 292.343 -1.184 20 0 CAADLO C[C@H](CS(C)(=O)=O)C(=O)N[C@H]1CC[N@H+](CCO)C1 ZINC001419219605 890314641 /nfs/dbraw/zinc/31/46/41/890314641.db2.gz XWWYVYVMSCZBOE-ZJUUUORDSA-N 1 2 278.374 -1.150 20 0 CAADLO C[C@H](CS(C)(=O)=O)C(=O)N[C@H]1CC[N@@H+](CCO)C1 ZINC001419219605 890314654 /nfs/dbraw/zinc/31/46/54/890314654.db2.gz XWWYVYVMSCZBOE-ZJUUUORDSA-N 1 2 278.374 -1.150 20 0 CAADLO C[C@@H](CS(C)(=O)=O)C(=O)N[C@@H]1CC[N@H+](CCO)C1 ZINC001419219603 890317913 /nfs/dbraw/zinc/31/79/13/890317913.db2.gz XWWYVYVMSCZBOE-VHSXEESVSA-N 1 2 278.374 -1.150 20 0 CAADLO C[C@@H](CS(C)(=O)=O)C(=O)N[C@@H]1CC[N@@H+](CCO)C1 ZINC001419219603 890317933 /nfs/dbraw/zinc/31/79/33/890317933.db2.gz XWWYVYVMSCZBOE-VHSXEESVSA-N 1 2 278.374 -1.150 20 0 CAADLO CNC(=O)CN1CCO[C@@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001419575361 890333711 /nfs/dbraw/zinc/33/37/11/890333711.db2.gz CVBHIMGOQYMZAI-JTQLQIEISA-N 1 2 295.343 -1.485 20 0 CAADLO COCC[N@@H+]1CCO[C@H](CNC(=O)Cn2cnnn2)C1 ZINC001419561660 890334003 /nfs/dbraw/zinc/33/40/03/890334003.db2.gz AFXUDJYTUYVLPS-SNVBAGLBSA-N 1 2 284.320 -1.864 20 0 CAADLO COCC[N@H+]1CCO[C@H](CNC(=O)Cn2cnnn2)C1 ZINC001419561660 890334021 /nfs/dbraw/zinc/33/40/21/890334021.db2.gz AFXUDJYTUYVLPS-SNVBAGLBSA-N 1 2 284.320 -1.864 20 0 CAADLO NC(=O)C[N@@H+]1CCCC[C@@H]1CNC(=O)Cn1cnnn1 ZINC001419596937 890334643 /nfs/dbraw/zinc/33/46/43/890334643.db2.gz YFZSANHIJDFACL-SECBINFHSA-N 1 2 281.320 -1.871 20 0 CAADLO NC(=O)C[N@H+]1CCCC[C@@H]1CNC(=O)Cn1cnnn1 ZINC001419596937 890334656 /nfs/dbraw/zinc/33/46/56/890334656.db2.gz YFZSANHIJDFACL-SECBINFHSA-N 1 2 281.320 -1.871 20 0 CAADLO CNC(=O)CN1CCO[C@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001419579812 890334896 /nfs/dbraw/zinc/33/48/96/890334896.db2.gz KHCAYJXDXPTDPB-LLVKDONJSA-N 1 2 295.343 -1.485 20 0 CAADLO CC[C@H](NC(C)=O)C(=O)NC[C@@H]1C[N@H+](CCO)CCO1 ZINC001419581893 890336257 /nfs/dbraw/zinc/33/62/57/890336257.db2.gz OWPWNFYGQPNBFL-NEPJUHHUSA-N 1 2 287.360 -1.290 20 0 CAADLO CC[C@H](NC(C)=O)C(=O)NC[C@@H]1C[N@@H+](CCO)CCO1 ZINC001419581893 890336273 /nfs/dbraw/zinc/33/62/73/890336273.db2.gz OWPWNFYGQPNBFL-NEPJUHHUSA-N 1 2 287.360 -1.290 20 0 CAADLO C[C@H](CNC(=O)[C@@H]1COCCO1)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001419698999 890345102 /nfs/dbraw/zinc/34/51/02/890345102.db2.gz FFIKYEBALRCONJ-BDAKNGLRSA-N 1 2 299.331 -1.882 20 0 CAADLO C[C@@H](CNC(=O)[C@H]1COC(=O)N1)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001419729869 890349973 /nfs/dbraw/zinc/34/99/73/890349973.db2.gz HAKSZQYBRFZGQD-NKWVEPMBSA-N 1 2 298.303 -2.189 20 0 CAADLO C[C@@H](CNC(=O)[C@@H]1COC(=O)N1)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001419729863 890351177 /nfs/dbraw/zinc/35/11/77/890351177.db2.gz HAKSZQYBRFZGQD-BQBZGAKWSA-N 1 2 298.303 -2.189 20 0 CAADLO Cc1nnc(C[NH2+][C@@H](C)CNC(=O)[C@@H]2CN(C)C(=O)N2)o1 ZINC001419832594 890357990 /nfs/dbraw/zinc/35/79/90/890357990.db2.gz TZSGFTZLLYYXFO-CBAPKCEASA-N 1 2 296.331 -1.004 20 0 CAADLO Cc1nnc(C[NH2+][C@@H](C)CNC(=O)[C@H]2CN(C)C(=O)N2)o1 ZINC001419832598 890359793 /nfs/dbraw/zinc/35/97/93/890359793.db2.gz TZSGFTZLLYYXFO-IONNQARKSA-N 1 2 296.331 -1.004 20 0 CAADLO Cc1nnc(C[NH2+][C@H](C)CNC(=O)[C@H]2CN(C)C(=O)N2)o1 ZINC001419832602 890360218 /nfs/dbraw/zinc/36/02/18/890360218.db2.gz TZSGFTZLLYYXFO-VXNVDRBHSA-N 1 2 296.331 -1.004 20 0 CAADLO C[C@H](CNC(=O)Cc1nnc[nH]1)[NH2+]Cc1cn(C)nn1 ZINC001419891972 890362860 /nfs/dbraw/zinc/36/28/60/890362860.db2.gz IERGZBURRFGBDF-MRVPVSSYSA-N 1 2 278.320 -1.230 20 0 CAADLO C[C@@H](CNC(=O)Cc1nnc[nH]1)[NH2+]Cc1cn(C)nn1 ZINC001419891976 890364298 /nfs/dbraw/zinc/36/42/98/890364298.db2.gz IERGZBURRFGBDF-QMMMGPOBSA-N 1 2 278.320 -1.230 20 0 CAADLO C[C@H](C(=O)NC(N)=O)[N@H+](C)CCN(C)C(=O)c1ccn[nH]1 ZINC001419948837 890367783 /nfs/dbraw/zinc/36/77/83/890367783.db2.gz JISCYXTYYZOOKG-MRVPVSSYSA-N 1 2 296.331 -1.003 20 0 CAADLO C[C@H](C(=O)NC(N)=O)[N@@H+](C)CCN(C)C(=O)c1ccn[nH]1 ZINC001419948837 890367801 /nfs/dbraw/zinc/36/78/01/890367801.db2.gz JISCYXTYYZOOKG-MRVPVSSYSA-N 1 2 296.331 -1.003 20 0 CAADLO CN(CC[N@H+](C)CC(N)=O)C(=O)CO[C@@H]1CCOC1 ZINC001419963826 890368055 /nfs/dbraw/zinc/36/80/55/890368055.db2.gz FNGQJLXGNQFEQP-SNVBAGLBSA-N 1 2 273.333 -1.333 20 0 CAADLO CN(CC[N@@H+](C)CC(N)=O)C(=O)CO[C@@H]1CCOC1 ZINC001419963826 890368071 /nfs/dbraw/zinc/36/80/71/890368071.db2.gz FNGQJLXGNQFEQP-SNVBAGLBSA-N 1 2 273.333 -1.333 20 0 CAADLO CNC(=O)[C@@H](C)[NH2+]C[C@H]1CCN(C(=O)Cc2ncn[nH]2)C1 ZINC001419987002 890369766 /nfs/dbraw/zinc/36/97/66/890369766.db2.gz BSKLWMKRESHTLY-NXEZZACHSA-N 1 2 294.359 -1.080 20 0 CAADLO CCNC(=O)C[N@H+](C)CCN(C)C(=O)[C@@H]1COCCO1 ZINC001419948056 890370266 /nfs/dbraw/zinc/37/02/66/890370266.db2.gz GWUXJPKTBYLJLA-NSHDSACASA-N 1 2 287.360 -1.072 20 0 CAADLO CCNC(=O)C[N@@H+](C)CCN(C)C(=O)[C@@H]1COCCO1 ZINC001419948056 890370281 /nfs/dbraw/zinc/37/02/81/890370281.db2.gz GWUXJPKTBYLJLA-NSHDSACASA-N 1 2 287.360 -1.072 20 0 CAADLO CN(CC[N@H+](C)CC(=O)N1CCNC(=O)C1)C(=O)C1CC1 ZINC001419937782 890370455 /nfs/dbraw/zinc/37/04/55/890370455.db2.gz PBCCBYGWNHYTPQ-UHFFFAOYSA-N 1 2 296.371 -1.255 20 0 CAADLO CN(CC[N@@H+](C)CC(=O)N1CCNC(=O)C1)C(=O)C1CC1 ZINC001419937782 890370473 /nfs/dbraw/zinc/37/04/73/890370473.db2.gz PBCCBYGWNHYTPQ-UHFFFAOYSA-N 1 2 296.371 -1.255 20 0 CAADLO CCNC(=O)C[N@H+](C)CCN(C)C(=O)Cn1cnnn1 ZINC001419939181 890371324 /nfs/dbraw/zinc/37/13/24/890371324.db2.gz HPSHSKFVMAAAIY-UHFFFAOYSA-N 1 2 283.336 -1.801 20 0 CAADLO CCNC(=O)C[N@@H+](C)CCN(C)C(=O)Cn1cnnn1 ZINC001419939181 890371338 /nfs/dbraw/zinc/37/13/38/890371338.db2.gz HPSHSKFVMAAAIY-UHFFFAOYSA-N 1 2 283.336 -1.801 20 0 CAADLO CN(CC[N@H+](C)CC(N)=O)C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001420001123 890372600 /nfs/dbraw/zinc/37/26/00/890372600.db2.gz WEFDZQFBNGQGLY-QMMMGPOBSA-N 1 2 271.321 -2.115 20 0 CAADLO CN(CC[N@@H+](C)CC(N)=O)C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001420001123 890372617 /nfs/dbraw/zinc/37/26/17/890372617.db2.gz WEFDZQFBNGQGLY-QMMMGPOBSA-N 1 2 271.321 -2.115 20 0 CAADLO CNC(=O)C[N@H+](C)CCN(C)C(=O)CCc1cnn(C)n1 ZINC001420007918 890373214 /nfs/dbraw/zinc/37/32/14/890373214.db2.gz XWOYVAXSROBALU-UHFFFAOYSA-N 1 2 296.375 -1.116 20 0 CAADLO CNC(=O)C[N@@H+](C)CCN(C)C(=O)CCc1cnn(C)n1 ZINC001420007918 890373229 /nfs/dbraw/zinc/37/32/29/890373229.db2.gz XWOYVAXSROBALU-UHFFFAOYSA-N 1 2 296.375 -1.116 20 0 CAADLO CN(CC[N@H+](C)CC(N)=O)C(=O)CCc1cnn(C)n1 ZINC001420007134 890373650 /nfs/dbraw/zinc/37/36/50/890373650.db2.gz VIZRSBFOQQQYQX-UHFFFAOYSA-N 1 2 282.348 -1.377 20 0 CAADLO CN(CC[N@@H+](C)CC(N)=O)C(=O)CCc1cnn(C)n1 ZINC001420007134 890373665 /nfs/dbraw/zinc/37/36/65/890373665.db2.gz VIZRSBFOQQQYQX-UHFFFAOYSA-N 1 2 282.348 -1.377 20 0 CAADLO CNC(=O)[C@@H](C)[NH2+]C[C@@H]1CCN(C(=O)Cc2ncn[nH]2)C1 ZINC001419987013 890373834 /nfs/dbraw/zinc/37/38/34/890373834.db2.gz BSKLWMKRESHTLY-ZJUUUORDSA-N 1 2 294.359 -1.080 20 0 CAADLO CNC(=O)C[N@H+](C)CCN(C)C(=O)[C@H]1CC[C@@H]1C(N)=O ZINC001419993214 890376030 /nfs/dbraw/zinc/37/60/30/890376030.db2.gz LWHZIKVVQHERQH-UWVGGRQHSA-N 1 2 284.360 -1.366 20 0 CAADLO CNC(=O)C[N@@H+](C)CCN(C)C(=O)[C@H]1CC[C@@H]1C(N)=O ZINC001419993214 890376044 /nfs/dbraw/zinc/37/60/44/890376044.db2.gz LWHZIKVVQHERQH-UWVGGRQHSA-N 1 2 284.360 -1.366 20 0 CAADLO CC(C)NC(=O)C[N@H+](C)CCN(C)C(=O)c1nnn(C)n1 ZINC001419997555 890376381 /nfs/dbraw/zinc/37/63/81/890376381.db2.gz QQKVSVGTTKIWBK-UHFFFAOYSA-N 1 2 297.363 -1.262 20 0 CAADLO CC(C)NC(=O)C[N@@H+](C)CCN(C)C(=O)c1nnn(C)n1 ZINC001419997555 890376391 /nfs/dbraw/zinc/37/63/91/890376391.db2.gz QQKVSVGTTKIWBK-UHFFFAOYSA-N 1 2 297.363 -1.262 20 0 CAADLO CNC(=O)C[N@H+](C)CCN(C)C(=O)[C@@H]1CC[C@@H]1C(N)=O ZINC001419993217 890376653 /nfs/dbraw/zinc/37/66/53/890376653.db2.gz LWHZIKVVQHERQH-VHSXEESVSA-N 1 2 284.360 -1.366 20 0 CAADLO CNC(=O)C[N@@H+](C)CCN(C)C(=O)[C@@H]1CC[C@@H]1C(N)=O ZINC001419993217 890376669 /nfs/dbraw/zinc/37/66/69/890376669.db2.gz LWHZIKVVQHERQH-VHSXEESVSA-N 1 2 284.360 -1.366 20 0 CAADLO Cc1nc(CC(=O)NC[C@H](O)C[NH2+]Cc2ccon2)n[nH]1 ZINC001420126206 890400084 /nfs/dbraw/zinc/40/00/84/890400084.db2.gz INKUQWJSMBVROH-SNVBAGLBSA-N 1 2 294.315 -1.089 20 0 CAADLO Cn1cc(C(=O)NCC[N@H+](C)Cc2nc(=O)n(C)[nH]2)cn1 ZINC001420180203 890405729 /nfs/dbraw/zinc/40/57/29/890405729.db2.gz KVHIIIWLEPHYGO-UHFFFAOYSA-N 1 2 293.331 -1.296 20 0 CAADLO Cn1cc(C(=O)NCC[N@@H+](C)Cc2nc(=O)n(C)[nH]2)cn1 ZINC001420180203 890405734 /nfs/dbraw/zinc/40/57/34/890405734.db2.gz KVHIIIWLEPHYGO-UHFFFAOYSA-N 1 2 293.331 -1.296 20 0 CAADLO C[N@H+](CCNC(=O)CN1CCCC1=O)CC(=O)NC1CC1 ZINC001420179758 890406386 /nfs/dbraw/zinc/40/63/86/890406386.db2.gz IIGKNAHBDHZKRB-UHFFFAOYSA-N 1 2 296.371 -1.065 20 0 CAADLO C[N@@H+](CCNC(=O)CN1CCCC1=O)CC(=O)NC1CC1 ZINC001420179758 890406396 /nfs/dbraw/zinc/40/63/96/890406396.db2.gz IIGKNAHBDHZKRB-UHFFFAOYSA-N 1 2 296.371 -1.065 20 0 CAADLO COc1cc(C[N@H+](C)CCNC(=O)Cn2cnnn2)on1 ZINC001420180207 890407039 /nfs/dbraw/zinc/40/70/39/890407039.db2.gz LBVRVFWGYRIOEG-UHFFFAOYSA-N 1 2 295.303 -1.082 20 0 CAADLO COc1cc(C[N@@H+](C)CCNC(=O)Cn2cnnn2)on1 ZINC001420180207 890407048 /nfs/dbraw/zinc/40/70/48/890407048.db2.gz LBVRVFWGYRIOEG-UHFFFAOYSA-N 1 2 295.303 -1.082 20 0 CAADLO Cc1nnc(C[NH2+]C[C@@H](O)CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)o1 ZINC001420166773 890407466 /nfs/dbraw/zinc/40/74/66/890407466.db2.gz RDXORRUBQQDPFD-SVDPJWKOSA-N 1 2 296.327 -1.163 20 0 CAADLO Cc1nnc(C[NH2+]C[C@H](O)CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)o1 ZINC001420166791 890408027 /nfs/dbraw/zinc/40/80/27/890408027.db2.gz RDXORRUBQQDPFD-UXCLJVHYSA-N 1 2 296.327 -1.163 20 0 CAADLO Cc1cc(C[NH2+]C[C@H](O)CNC(=O)c2ncn[nH]2)nn1C ZINC001420191982 890409990 /nfs/dbraw/zinc/40/99/90/890409990.db2.gz HMCJLOKAPYJCNJ-JTQLQIEISA-N 1 2 293.331 -1.273 20 0 CAADLO Cc1cc(C[NH2+]C[C@H](O)CNC(=O)c2nc[nH]n2)nn1C ZINC001420191982 890409997 /nfs/dbraw/zinc/40/99/97/890409997.db2.gz HMCJLOKAPYJCNJ-JTQLQIEISA-N 1 2 293.331 -1.273 20 0 CAADLO CNS(=O)(=O)CC(=O)NCc1coc(C[NH+](C)C)n1 ZINC001420183322 890410212 /nfs/dbraw/zinc/41/02/12/890410212.db2.gz GLYXRJGXXMDDMC-UHFFFAOYSA-N 1 2 290.345 -1.098 20 0 CAADLO Cc1ncc(C[NH2+]C[C@H](O)CNC(=O)c2ncn[nH]2)o1 ZINC001420188583 890410323 /nfs/dbraw/zinc/41/03/23/890410323.db2.gz CBHOBBFRPXTZNR-QMMMGPOBSA-N 1 2 280.288 -1.018 20 0 CAADLO Cc1ncc(C[NH2+]C[C@H](O)CNC(=O)c2nc[nH]n2)o1 ZINC001420188583 890410328 /nfs/dbraw/zinc/41/03/28/890410328.db2.gz CBHOBBFRPXTZNR-QMMMGPOBSA-N 1 2 280.288 -1.018 20 0 CAADLO Cc1ncc(C(=O)NCC[N@@H+](C)CC(=O)NC(N)=O)[nH]1 ZINC001420193104 890410744 /nfs/dbraw/zinc/41/07/44/890410744.db2.gz RRFSCYWCNBMVKD-UHFFFAOYSA-N 1 2 282.304 -1.425 20 0 CAADLO Cc1ncc(C(=O)NCC[N@H+](C)CC(=O)NC(N)=O)[nH]1 ZINC001420193104 890410749 /nfs/dbraw/zinc/41/07/49/890410749.db2.gz RRFSCYWCNBMVKD-UHFFFAOYSA-N 1 2 282.304 -1.425 20 0 CAADLO O=C(NC[C@H](O)C[NH2+]Cc1csnn1)[C@@H]1CCC(=O)N1 ZINC001420196368 890411230 /nfs/dbraw/zinc/41/12/30/890411230.db2.gz MYEZJTCCEANUHN-BDAKNGLRSA-N 1 2 299.356 -1.617 20 0 CAADLO O=C(NC[C@@H](O)C[NH2+]Cc1csnn1)[C@@H]1CCC(=O)N1 ZINC001420196371 890412110 /nfs/dbraw/zinc/41/21/10/890412110.db2.gz MYEZJTCCEANUHN-IUCAKERBSA-N 1 2 299.356 -1.617 20 0 CAADLO CCN(C)C(=O)C[N@H+](C)CCNC(=O)c1ncn(C)n1 ZINC001420207269 890414656 /nfs/dbraw/zinc/41/46/56/890414656.db2.gz VJBWDRXBRMLWMY-UHFFFAOYSA-N 1 2 282.348 -1.045 20 0 CAADLO CCN(C)C(=O)C[N@@H+](C)CCNC(=O)c1ncn(C)n1 ZINC001420207269 890414668 /nfs/dbraw/zinc/41/46/68/890414668.db2.gz VJBWDRXBRMLWMY-UHFFFAOYSA-N 1 2 282.348 -1.045 20 0 CAADLO C[N@H+](CCNC(=O)c1ncc[nH]1)CC(=O)N1CCOCC1 ZINC001420208961 890415186 /nfs/dbraw/zinc/41/51/86/890415186.db2.gz BNIBMWJZKAABMI-UHFFFAOYSA-N 1 2 295.343 -1.070 20 0 CAADLO C[N@@H+](CCNC(=O)c1ncc[nH]1)CC(=O)N1CCOCC1 ZINC001420208961 890415194 /nfs/dbraw/zinc/41/51/94/890415194.db2.gz BNIBMWJZKAABMI-UHFFFAOYSA-N 1 2 295.343 -1.070 20 0 CAADLO CNC(=O)C[N@H+](C)CCNC(=O)CNC(=O)C1CC1 ZINC001420201682 890415360 /nfs/dbraw/zinc/41/53/60/890415360.db2.gz RPEVECSIQTXOJP-UHFFFAOYSA-N 1 2 270.333 -1.693 20 0 CAADLO CNC(=O)C[N@@H+](C)CCNC(=O)CNC(=O)C1CC1 ZINC001420201682 890415372 /nfs/dbraw/zinc/41/53/72/890415372.db2.gz RPEVECSIQTXOJP-UHFFFAOYSA-N 1 2 270.333 -1.693 20 0 CAADLO Cc1cc(C[NH2+]C[C@@H](O)CNC(=O)Cc2nnc[nH]2)on1 ZINC001420202475 890415639 /nfs/dbraw/zinc/41/56/39/890415639.db2.gz YTBIVUWZMOUTBP-SECBINFHSA-N 1 2 294.315 -1.089 20 0 CAADLO COCCn1cc(C(=O)NCC[N@H+](C)CC(N)=O)c(C)n1 ZINC001420226870 890417562 /nfs/dbraw/zinc/41/75/62/890417562.db2.gz ZTDBCHPWHQKSOY-UHFFFAOYSA-N 1 2 297.359 -1.015 20 0 CAADLO COCCn1cc(C(=O)NCC[N@@H+](C)CC(N)=O)c(C)n1 ZINC001420226870 890417571 /nfs/dbraw/zinc/41/75/71/890417571.db2.gz ZTDBCHPWHQKSOY-UHFFFAOYSA-N 1 2 297.359 -1.015 20 0 CAADLO C[N@H+](CCNC(=O)[C@H]1COC(=O)N1)CC(=O)N1CCC1 ZINC001420213546 890418534 /nfs/dbraw/zinc/41/85/34/890418534.db2.gz UQRONSFIKZOBJK-SECBINFHSA-N 1 2 284.316 -1.625 20 0 CAADLO C[N@@H+](CCNC(=O)[C@H]1COC(=O)N1)CC(=O)N1CCC1 ZINC001420213546 890418538 /nfs/dbraw/zinc/41/85/38/890418538.db2.gz UQRONSFIKZOBJK-SECBINFHSA-N 1 2 284.316 -1.625 20 0 CAADLO CNC(=O)C[N@H+](C)CCNC(=O)Cn1cc(C2CC2)nn1 ZINC001420244288 890420792 /nfs/dbraw/zinc/42/07/92/890420792.db2.gz LVMFDYQBPZFJAS-UHFFFAOYSA-N 1 2 294.359 -1.051 20 0 CAADLO CNC(=O)C[N@@H+](C)CCNC(=O)Cn1cc(C2CC2)nn1 ZINC001420244288 890420801 /nfs/dbraw/zinc/42/08/01/890420801.db2.gz LVMFDYQBPZFJAS-UHFFFAOYSA-N 1 2 294.359 -1.051 20 0 CAADLO CCNC(=O)C[N@H+](C)CCNC(=O)c1cn[nH]c(=O)c1 ZINC001420252438 890423036 /nfs/dbraw/zinc/42/30/36/890423036.db2.gz JVJYQBYEQJZYGC-UHFFFAOYSA-N 1 2 281.316 -1.020 20 0 CAADLO CCNC(=O)C[N@@H+](C)CCNC(=O)c1cn[nH]c(=O)c1 ZINC001420252438 890423042 /nfs/dbraw/zinc/42/30/42/890423042.db2.gz JVJYQBYEQJZYGC-UHFFFAOYSA-N 1 2 281.316 -1.020 20 0 CAADLO CNC(=O)C[N@H+](C)CCNC(=O)c1cnc2n[nH]nc2c1 ZINC001420244616 890423276 /nfs/dbraw/zinc/42/32/76/890423276.db2.gz QUHBRBCADWIOBI-UHFFFAOYSA-N 1 2 291.315 -1.240 20 0 CAADLO CNC(=O)C[N@@H+](C)CCNC(=O)c1cnc2n[nH]nc2c1 ZINC001420244616 890423279 /nfs/dbraw/zinc/42/32/79/890423279.db2.gz QUHBRBCADWIOBI-UHFFFAOYSA-N 1 2 291.315 -1.240 20 0 CAADLO CNC(=O)C[N@H+](C)CCNC(=O)[C@H]1CCC(=O)N1C ZINC001420286766 890425133 /nfs/dbraw/zinc/42/51/33/890425133.db2.gz NPBYONNQENUPCH-SECBINFHSA-N 1 2 270.333 -1.599 20 0 CAADLO CNC(=O)C[N@@H+](C)CCNC(=O)[C@H]1CCC(=O)N1C ZINC001420286766 890425136 /nfs/dbraw/zinc/42/51/36/890425136.db2.gz NPBYONNQENUPCH-SECBINFHSA-N 1 2 270.333 -1.599 20 0 CAADLO CNC(=O)C[N@H+](C)CCNC(=O)[C@]1(C)CCC(=O)NC1 ZINC001420287665 890426170 /nfs/dbraw/zinc/42/61/70/890426170.db2.gz ROXRXQQUSDUFHZ-CYBMUJFWSA-N 1 2 284.360 -1.303 20 0 CAADLO CNC(=O)C[N@@H+](C)CCNC(=O)[C@]1(C)CCC(=O)NC1 ZINC001420287665 890426178 /nfs/dbraw/zinc/42/61/78/890426178.db2.gz ROXRXQQUSDUFHZ-CYBMUJFWSA-N 1 2 284.360 -1.303 20 0 CAADLO Cn1[nH]c(C[N@H+](C)CCNC(=O)c2cnco2)nc1=O ZINC001420286067 890426999 /nfs/dbraw/zinc/42/69/99/890426999.db2.gz UVIHVMXAXGOQBJ-UHFFFAOYSA-N 1 2 280.288 -1.042 20 0 CAADLO Cn1[nH]c(C[N@@H+](C)CCNC(=O)c2cnco2)nc1=O ZINC001420286067 890427002 /nfs/dbraw/zinc/42/70/02/890427002.db2.gz UVIHVMXAXGOQBJ-UHFFFAOYSA-N 1 2 280.288 -1.042 20 0 CAADLO O=C(CS(=O)(=O)C1CC1)N1CC([NH2+]C2COC2)C1 ZINC001420317585 890429448 /nfs/dbraw/zinc/42/94/48/890429448.db2.gz HIXMBNKBGONRKC-UHFFFAOYSA-N 1 2 274.342 -1.237 20 0 CAADLO CNC(=O)C[N@H+](C)CCNC(=O)c1ccc(=O)n(C)n1 ZINC001420343896 890431799 /nfs/dbraw/zinc/43/17/99/890431799.db2.gz XJWBQQMNACSNEJ-UHFFFAOYSA-N 1 2 281.316 -1.812 20 0 CAADLO CNC(=O)C[N@@H+](C)CCNC(=O)c1ccc(=O)n(C)n1 ZINC001420343896 890431808 /nfs/dbraw/zinc/43/18/08/890431808.db2.gz XJWBQQMNACSNEJ-UHFFFAOYSA-N 1 2 281.316 -1.812 20 0 CAADLO Cc1[nH+]c[nH]c1CC(=O)NC[C@@H](O)CS(C)(=O)=O ZINC001420354021 890432493 /nfs/dbraw/zinc/43/24/93/890432493.db2.gz RKJQLKCMODKSMY-MRVPVSSYSA-N 1 2 275.330 -1.218 20 0 CAADLO Cc1nnc(C[NH2+]C[C@@H](C)NC(=O)[C@@H]2CNC(=O)N2)o1 ZINC001420346480 890433476 /nfs/dbraw/zinc/43/34/76/890433476.db2.gz TYHOKXFUXVEFJD-SVRRBLITSA-N 1 2 282.304 -1.346 20 0 CAADLO CN(C)C(=O)C[N@H+](C)CCNC(=O)CCCC(N)=O ZINC001420361634 890437567 /nfs/dbraw/zinc/43/75/67/890437567.db2.gz JPEURHZWVQTZIG-UHFFFAOYSA-N 1 2 272.349 -1.222 20 0 CAADLO CN(C)C(=O)C[N@@H+](C)CCNC(=O)CCCC(N)=O ZINC001420361634 890437572 /nfs/dbraw/zinc/43/75/72/890437572.db2.gz JPEURHZWVQTZIG-UHFFFAOYSA-N 1 2 272.349 -1.222 20 0 CAADLO CN(C)C(=O)C[N@H+](C)CCNC(=O)CCc1cn(C)nn1 ZINC001420362947 890437632 /nfs/dbraw/zinc/43/76/32/890437632.db2.gz GDXPCFHEHYRWPI-UHFFFAOYSA-N 1 2 296.375 -1.116 20 0 CAADLO CN(C)C(=O)C[N@@H+](C)CCNC(=O)CCc1cn(C)nn1 ZINC001420362947 890437638 /nfs/dbraw/zinc/43/76/38/890437638.db2.gz GDXPCFHEHYRWPI-UHFFFAOYSA-N 1 2 296.375 -1.116 20 0 CAADLO CC[N@H+](CCNC(=O)c1nnc[nH]1)CC(=O)NC(=O)NC ZINC001420437494 890441628 /nfs/dbraw/zinc/44/16/28/890441628.db2.gz RMJMPQHFJURWEZ-UHFFFAOYSA-N 1 2 297.319 -1.688 20 0 CAADLO CC[N@@H+](CCNC(=O)c1nnc[nH]1)CC(=O)NC(=O)NC ZINC001420437494 890441634 /nfs/dbraw/zinc/44/16/34/890441634.db2.gz RMJMPQHFJURWEZ-UHFFFAOYSA-N 1 2 297.319 -1.688 20 0 CAADLO C[C@@H](C[NH2+]Cc1nnnn1C)NC(=O)CCc1cn[nH]n1 ZINC001420462284 890443459 /nfs/dbraw/zinc/44/34/59/890443459.db2.gz DLMGGXJZMQMNIF-QMMMGPOBSA-N 1 2 293.335 -1.445 20 0 CAADLO C[C@@H](C[NH2+]Cc1nnnn1C)NC(=O)CCc1c[nH]nn1 ZINC001420462284 890443464 /nfs/dbraw/zinc/44/34/64/890443464.db2.gz DLMGGXJZMQMNIF-QMMMGPOBSA-N 1 2 293.335 -1.445 20 0 CAADLO C[C@@]1(C(=O)NC[C@@H]2CCC[N@@H+]2CC(N)=O)CCC(=O)N1 ZINC001420482919 890443773 /nfs/dbraw/zinc/44/37/73/890443773.db2.gz FBXXKTOUTSFVNO-ZANVPECISA-N 1 2 282.344 -1.279 20 0 CAADLO C[C@@]1(C(=O)NC[C@@H]2CCC[N@H+]2CC(N)=O)CCC(=O)N1 ZINC001420482919 890443777 /nfs/dbraw/zinc/44/37/77/890443777.db2.gz FBXXKTOUTSFVNO-ZANVPECISA-N 1 2 282.344 -1.279 20 0 CAADLO C[N@@H+]1CCO[C@H](C(=O)N[C@@](C)(Cn2cccn2)C(N)=O)C1 ZINC001420569148 890452225 /nfs/dbraw/zinc/45/22/25/890452225.db2.gz KNXNZWARUQIFJC-GWCFXTLKSA-N 1 2 295.343 -1.426 20 0 CAADLO C[N@H+]1CCO[C@H](C(=O)N[C@@](C)(Cn2cccn2)C(N)=O)C1 ZINC001420569148 890452234 /nfs/dbraw/zinc/45/22/34/890452234.db2.gz KNXNZWARUQIFJC-GWCFXTLKSA-N 1 2 295.343 -1.426 20 0 CAADLO C[N@@H+]1CCO[C@@H](C(=O)N[C@](C)(Cn2cccn2)C(N)=O)C1 ZINC001420569168 890455560 /nfs/dbraw/zinc/45/55/60/890455560.db2.gz KNXNZWARUQIFJC-ZWNOBZJWSA-N 1 2 295.343 -1.426 20 0 CAADLO C[N@H+]1CCO[C@@H](C(=O)N[C@](C)(Cn2cccn2)C(N)=O)C1 ZINC001420569168 890455563 /nfs/dbraw/zinc/45/55/63/890455563.db2.gz KNXNZWARUQIFJC-ZWNOBZJWSA-N 1 2 295.343 -1.426 20 0 CAADLO COC(=O)NCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2[C@H](C)C(N)=O ZINC001420777425 890464101 /nfs/dbraw/zinc/46/41/01/890464101.db2.gz YSRSMVYBXPWGPT-BBBLOLIVSA-N 1 2 298.343 -1.109 20 0 CAADLO COC(=O)NCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H](C)C(N)=O ZINC001420777425 890464111 /nfs/dbraw/zinc/46/41/11/890464111.db2.gz YSRSMVYBXPWGPT-BBBLOLIVSA-N 1 2 298.343 -1.109 20 0 CAADLO C[C@H](CC(=O)NC[C@H]1CC[N@@H+]1CC(=O)N(C)C)NC(N)=O ZINC001420828504 890464157 /nfs/dbraw/zinc/46/41/57/890464157.db2.gz DKTMUWRZPWCARB-NXEZZACHSA-N 1 2 299.375 -1.288 20 0 CAADLO C[C@H](CC(=O)NC[C@H]1CC[N@H+]1CC(=O)N(C)C)NC(N)=O ZINC001420828504 890464165 /nfs/dbraw/zinc/46/41/65/890464165.db2.gz DKTMUWRZPWCARB-NXEZZACHSA-N 1 2 299.375 -1.288 20 0 CAADLO COC(=O)NCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H](C)C(N)=O ZINC001420777430 890464783 /nfs/dbraw/zinc/46/47/83/890464783.db2.gz YSRSMVYBXPWGPT-LPEHRKFASA-N 1 2 298.343 -1.109 20 0 CAADLO COC(=O)NCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H](C)C(N)=O ZINC001420777430 890464787 /nfs/dbraw/zinc/46/47/87/890464787.db2.gz YSRSMVYBXPWGPT-LPEHRKFASA-N 1 2 298.343 -1.109 20 0 CAADLO C[C@@H](CC(=O)NC[C@H]1CC[N@@H+]1CC(=O)N(C)C)NC(N)=O ZINC001420828511 890465355 /nfs/dbraw/zinc/46/53/55/890465355.db2.gz DKTMUWRZPWCARB-VHSXEESVSA-N 1 2 299.375 -1.288 20 0 CAADLO C[C@@H](CC(=O)NC[C@H]1CC[N@H+]1CC(=O)N(C)C)NC(N)=O ZINC001420828511 890465360 /nfs/dbraw/zinc/46/53/60/890465360.db2.gz DKTMUWRZPWCARB-VHSXEESVSA-N 1 2 299.375 -1.288 20 0 CAADLO CN(C)C(=O)C[N@@H+]1CC[C@@H]1CNC(=O)CNC(=O)C1CC1 ZINC001420810389 890465846 /nfs/dbraw/zinc/46/58/46/890465846.db2.gz XQCHTBCCJGDZRV-LLVKDONJSA-N 1 2 296.371 -1.209 20 0 CAADLO CN(C)C(=O)C[N@H+]1CC[C@@H]1CNC(=O)CNC(=O)C1CC1 ZINC001420810389 890465851 /nfs/dbraw/zinc/46/58/51/890465851.db2.gz XQCHTBCCJGDZRV-LLVKDONJSA-N 1 2 296.371 -1.209 20 0 CAADLO CO[C@@H](C)C(=O)N(C)CC[NH+]1CCN(CC(N)=O)CC1 ZINC001420893166 890467327 /nfs/dbraw/zinc/46/73/27/890467327.db2.gz DECJGOHLVHBQKT-NSHDSACASA-N 1 2 286.376 -1.417 20 0 CAADLO CCN(C)C(=O)C[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCC(=O)N1 ZINC001420887155 890467858 /nfs/dbraw/zinc/46/78/58/890467858.db2.gz OTJPTHQTRMGRCL-MNOVXSKESA-N 1 2 296.371 -1.066 20 0 CAADLO CCN(C)C(=O)C[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCC(=O)N1 ZINC001420887155 890467868 /nfs/dbraw/zinc/46/78/68/890467868.db2.gz OTJPTHQTRMGRCL-MNOVXSKESA-N 1 2 296.371 -1.066 20 0 CAADLO CCN(C)C(=O)C[N@@H+]1CC[C@@H]1CNC(=O)Cn1ncnn1 ZINC001420832837 890468765 /nfs/dbraw/zinc/46/87/65/890468765.db2.gz JYQFFYTWFQMCIE-SNVBAGLBSA-N 1 2 295.347 -1.658 20 0 CAADLO CCN(C)C(=O)C[N@H+]1CC[C@@H]1CNC(=O)Cn1ncnn1 ZINC001420832837 890468770 /nfs/dbraw/zinc/46/87/70/890468770.db2.gz JYQFFYTWFQMCIE-SNVBAGLBSA-N 1 2 295.347 -1.658 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CC[C@H]1CNC(=O)CN(C)C(=O)C1CC1 ZINC001420852091 890469031 /nfs/dbraw/zinc/46/90/31/890469031.db2.gz XCOLXRJPRKZUPB-KOLCDFICSA-N 1 2 296.371 -1.081 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CC[C@H]1CNC(=O)CN(C)C(=O)C1CC1 ZINC001420852091 890469038 /nfs/dbraw/zinc/46/90/38/890469038.db2.gz XCOLXRJPRKZUPB-KOLCDFICSA-N 1 2 296.371 -1.081 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CC[C@@H]1CNC(=O)CCc1cnn(C)n1 ZINC001420851847 890469156 /nfs/dbraw/zinc/46/91/56/890469156.db2.gz BTQXRLKMKJKQFG-GXSJLCMTSA-N 1 2 294.359 -1.188 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CC[C@@H]1CNC(=O)CCc1cnn(C)n1 ZINC001420851847 890469160 /nfs/dbraw/zinc/46/91/60/890469160.db2.gz BTQXRLKMKJKQFG-GXSJLCMTSA-N 1 2 294.359 -1.188 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CC[C@@H]1CNC(=O)CCc1cnn(C)n1 ZINC001420852034 890469365 /nfs/dbraw/zinc/46/93/65/890469365.db2.gz BTQXRLKMKJKQFG-MWLCHTKSSA-N 1 2 294.359 -1.188 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CC[C@@H]1CNC(=O)CCc1cnn(C)n1 ZINC001420852034 890469368 /nfs/dbraw/zinc/46/93/68/890469368.db2.gz BTQXRLKMKJKQFG-MWLCHTKSSA-N 1 2 294.359 -1.188 20 0 CAADLO CNC(=O)NCCC(=O)NC[C@H]1CC[N@@H+]1CC(=O)N(C)C ZINC001420855860 890469959 /nfs/dbraw/zinc/46/99/59/890469959.db2.gz ZYUSJKXSWFUNEQ-SNVBAGLBSA-N 1 2 299.375 -1.416 20 0 CAADLO CNC(=O)NCCC(=O)NC[C@H]1CC[N@H+]1CC(=O)N(C)C ZINC001420855860 890469967 /nfs/dbraw/zinc/46/99/67/890469967.db2.gz ZYUSJKXSWFUNEQ-SNVBAGLBSA-N 1 2 299.375 -1.416 20 0 CAADLO CNC(=O)NCC(=O)NC[C@H]1CC[N@@H+]1[C@@H](C)C(N)=O ZINC001420853106 890470268 /nfs/dbraw/zinc/47/02/68/890470268.db2.gz YGPLTCLNDBDASY-JGVFFNPUSA-N 1 2 271.321 -2.020 20 0 CAADLO CNC(=O)NCC(=O)NC[C@H]1CC[N@H+]1[C@@H](C)C(N)=O ZINC001420853106 890470276 /nfs/dbraw/zinc/47/02/76/890470276.db2.gz YGPLTCLNDBDASY-JGVFFNPUSA-N 1 2 271.321 -2.020 20 0 CAADLO C[C@H](C(=O)N(C)C)[N@@H+]1CC[C@@H]1CNC(=O)CCNC(N)=O ZINC001420901693 890471796 /nfs/dbraw/zinc/47/17/96/890471796.db2.gz TYGWGSXPKDYTGB-NXEZZACHSA-N 1 2 299.375 -1.288 20 0 CAADLO C[C@H](C(=O)N(C)C)[N@H+]1CC[C@@H]1CNC(=O)CCNC(N)=O ZINC001420901693 890471802 /nfs/dbraw/zinc/47/18/02/890471802.db2.gz TYGWGSXPKDYTGB-NXEZZACHSA-N 1 2 299.375 -1.288 20 0 CAADLO CC(=O)NCC(=O)NCC1([NH2+]Cc2ncnn2C)CC1 ZINC001420911541 890472597 /nfs/dbraw/zinc/47/25/97/890472597.db2.gz USSCLOBWJIXQCG-UHFFFAOYSA-N 1 2 280.332 -1.310 20 0 CAADLO COCCn1cc(C(=O)NC[C@@H]2C[NH+]3CCN2CC3)nn1 ZINC001420898950 890472820 /nfs/dbraw/zinc/47/28/20/890472820.db2.gz WYTORUOKGHAYJX-LLVKDONJSA-N 1 2 294.359 -1.346 20 0 CAADLO CCN(C)C(=O)C[N@@H+]1CC[C@@H]1CNC(=O)Cn1cncn1 ZINC001420896744 890472972 /nfs/dbraw/zinc/47/29/72/890472972.db2.gz IFMBUYFOWHFBBX-LLVKDONJSA-N 1 2 294.359 -1.053 20 0 CAADLO CCN(C)C(=O)C[N@H+]1CC[C@@H]1CNC(=O)Cn1cncn1 ZINC001420896744 890472982 /nfs/dbraw/zinc/47/29/82/890472982.db2.gz IFMBUYFOWHFBBX-LLVKDONJSA-N 1 2 294.359 -1.053 20 0 CAADLO C[C@@H](C(=O)N(C)C)[N@@H+]1CC[C@@H]1CNC(=O)CCNC(N)=O ZINC001420901699 890473003 /nfs/dbraw/zinc/47/30/03/890473003.db2.gz TYGWGSXPKDYTGB-VHSXEESVSA-N 1 2 299.375 -1.288 20 0 CAADLO C[C@@H](C(=O)N(C)C)[N@H+]1CC[C@@H]1CNC(=O)CCNC(N)=O ZINC001420901699 890473016 /nfs/dbraw/zinc/47/30/16/890473016.db2.gz TYGWGSXPKDYTGB-VHSXEESVSA-N 1 2 299.375 -1.288 20 0 CAADLO C[C@H](NC(N)=O)C(=O)NCC1([NH2+]Cc2ncnn2C)CC1 ZINC001420928555 890473105 /nfs/dbraw/zinc/47/31/05/890473105.db2.gz CKVUAWNSODVLPU-QMMMGPOBSA-N 1 2 295.347 -1.390 20 0 CAADLO CC[C@H](C(N)=O)[N@@H+]1CC[C@H]1CNC(=O)Cn1cncn1 ZINC001420896786 890473196 /nfs/dbraw/zinc/47/31/96/890473196.db2.gz IHWHIIJJVMDICA-VHSXEESVSA-N 1 2 280.332 -1.268 20 0 CAADLO CC[C@H](C(N)=O)[N@H+]1CC[C@H]1CNC(=O)Cn1cncn1 ZINC001420896786 890473203 /nfs/dbraw/zinc/47/32/03/890473203.db2.gz IHWHIIJJVMDICA-VHSXEESVSA-N 1 2 280.332 -1.268 20 0 CAADLO CC[C@@H](C(N)=O)[N@@H+]1CC[C@H]1CNC(=O)Cn1cncn1 ZINC001420896784 890473348 /nfs/dbraw/zinc/47/33/48/890473348.db2.gz IHWHIIJJVMDICA-UWVGGRQHSA-N 1 2 280.332 -1.268 20 0 CAADLO CC[C@@H](C(N)=O)[N@H+]1CC[C@H]1CNC(=O)Cn1cncn1 ZINC001420896784 890473354 /nfs/dbraw/zinc/47/33/54/890473354.db2.gz IHWHIIJJVMDICA-UWVGGRQHSA-N 1 2 280.332 -1.268 20 0 CAADLO CC[C@H](C(N)=O)[N@@H+]1CC[C@@H]1CNC(=O)Cn1cncn1 ZINC001420896782 890473764 /nfs/dbraw/zinc/47/37/64/890473764.db2.gz IHWHIIJJVMDICA-NXEZZACHSA-N 1 2 280.332 -1.268 20 0 CAADLO CC[C@H](C(N)=O)[N@H+]1CC[C@@H]1CNC(=O)Cn1cncn1 ZINC001420896782 890473769 /nfs/dbraw/zinc/47/37/69/890473769.db2.gz IHWHIIJJVMDICA-NXEZZACHSA-N 1 2 280.332 -1.268 20 0 CAADLO Cn1nncc1C[NH2+]C1(CNC(=O)Cc2nnc[nH]2)CC1 ZINC001420991491 890475604 /nfs/dbraw/zinc/47/56/04/890475604.db2.gz OFTJLEVGMBHZRM-UHFFFAOYSA-N 1 2 290.331 -1.086 20 0 CAADLO Cn1ncc(C[NH2+]C2(CNC(=O)CCNC(N)=O)CC2)n1 ZINC001420998970 890476019 /nfs/dbraw/zinc/47/60/19/890476019.db2.gz QJMONOOUJLDKHC-UHFFFAOYSA-N 1 2 295.347 -1.388 20 0 CAADLO Cn1cnnc1C[NH2+]C1(CNC(=O)Cc2nc[nH]n2)CC1 ZINC001420994355 890476069 /nfs/dbraw/zinc/47/60/69/890476069.db2.gz XNOZBQYYMKSVFU-UHFFFAOYSA-N 1 2 290.331 -1.086 20 0 CAADLO CNC(=O)NCC(=O)NCC1([NH2+]Cc2nnnn2C)CC1 ZINC001420957482 890476374 /nfs/dbraw/zinc/47/63/74/890476374.db2.gz YIJJIZXEGDYKGQ-UHFFFAOYSA-N 1 2 296.335 -2.123 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(NC(=O)CN2CCOCC2)C1 ZINC001421024534 890478537 /nfs/dbraw/zinc/47/85/37/890478537.db2.gz KXSZLFLWNANURL-LBPRGKRZSA-N 1 2 287.360 -1.874 20 0 CAADLO Cn1nnnc1CN1CC(NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001421033846 890478601 /nfs/dbraw/zinc/47/86/01/890478601.db2.gz FVVAMHMKZQMMIT-UHFFFAOYSA-N 1 2 290.331 -1.134 20 0 CAADLO Cn1nnnc1CN1CC(NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001421033846 890478607 /nfs/dbraw/zinc/47/86/07/890478607.db2.gz FVVAMHMKZQMMIT-UHFFFAOYSA-N 1 2 290.331 -1.134 20 0 CAADLO CN(CC(=O)N[C@H]1CCC[N@H+](CC(N)=O)C1)C(=O)C1CC1 ZINC001421007508 890479049 /nfs/dbraw/zinc/47/90/49/890479049.db2.gz HPYQOQVKZDZKOW-NSHDSACASA-N 1 2 296.371 -1.079 20 0 CAADLO CN(CC(=O)N[C@H]1CCC[N@@H+](CC(N)=O)C1)C(=O)C1CC1 ZINC001421007508 890479052 /nfs/dbraw/zinc/47/90/52/890479052.db2.gz HPYQOQVKZDZKOW-NSHDSACASA-N 1 2 296.371 -1.079 20 0 CAADLO NC(=O)NC(=O)CN1CC(NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001421037463 890481821 /nfs/dbraw/zinc/48/18/21/890481821.db2.gz XGUSVAOGJDZMNZ-UHFFFAOYSA-N 1 2 294.315 -1.662 20 0 CAADLO NC(=O)NC(=O)CN1CC(NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001421037463 890481827 /nfs/dbraw/zinc/48/18/27/890481827.db2.gz XGUSVAOGJDZMNZ-UHFFFAOYSA-N 1 2 294.315 -1.662 20 0 CAADLO CNS(=O)(=O)NCC(=O)NC1C[NH+](CCOC)C1 ZINC001421061534 890482204 /nfs/dbraw/zinc/48/22/04/890482204.db2.gz WJRLUAAMDGGLRE-UHFFFAOYSA-N 1 2 280.350 -2.513 20 0 CAADLO C[C@H](O)C[NH+]1CC(NC(=O)CN(C)S(C)(=O)=O)C1 ZINC001421051806 890482701 /nfs/dbraw/zinc/48/27/01/890482701.db2.gz SHTGDVGZZIZKRH-QMMMGPOBSA-N 1 2 279.362 -1.941 20 0 CAADLO O=C(Cn1cnnn1)NCC1C[NH+](CC(=O)N2CCC2)C1 ZINC001421101721 890483750 /nfs/dbraw/zinc/48/37/50/890483750.db2.gz FHZAJTQKDXQEKC-UHFFFAOYSA-N 1 2 293.331 -2.047 20 0 CAADLO C[C@@H](O)C[NH+]1CC(NC(=O)CCn2cnccc2=O)C1 ZINC001421084010 890484414 /nfs/dbraw/zinc/48/44/14/890484414.db2.gz VZODDWPEFWZHAQ-SNVBAGLBSA-N 1 2 280.328 -1.185 20 0 CAADLO NC(=O)NC(=O)C[NH+]1CC(CNC(=O)c2cnccn2)C1 ZINC001421105808 890484706 /nfs/dbraw/zinc/48/47/06/890484706.db2.gz TXRDZOATPKJPEO-UHFFFAOYSA-N 1 2 292.299 -1.667 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(NC(=O)Cc2nonc2C)C1 ZINC001421074208 890484853 /nfs/dbraw/zinc/48/48/53/890484853.db2.gz CFNSFBVUAALSJJ-JTQLQIEISA-N 1 2 284.316 -1.272 20 0 CAADLO CCC(=O)NCC1C[NH+](CC(=O)N2CCNC(=O)C2)C1 ZINC001421104879 890485701 /nfs/dbraw/zinc/48/57/01/890485701.db2.gz ROYXPUWLARYBFN-UHFFFAOYSA-N 1 2 282.344 -1.597 20 0 CAADLO C[C@@]1(C(=O)NCC2C[NH+](CC(N)=O)C2)CCNC(=O)C1 ZINC001421154438 890486985 /nfs/dbraw/zinc/48/69/85/890486985.db2.gz MVFUKDUWPIHDPZ-CYBMUJFWSA-N 1 2 282.344 -1.564 20 0 CAADLO NC(=O)C[NH+]1CC(CNC(=O)CN2CCOCC2=O)C1 ZINC001421139352 890487498 /nfs/dbraw/zinc/48/74/98/890487498.db2.gz UMPHXWRHNLQOIW-UHFFFAOYSA-N 1 2 284.316 -2.622 20 0 CAADLO CNC(=O)CCCC(=O)NCC1C[NH+]([C@H]2CCNC2=O)C1 ZINC001421128137 890487711 /nfs/dbraw/zinc/48/77/11/890487711.db2.gz VGHMXEJJBXIKLC-NSHDSACASA-N 1 2 296.371 -1.161 20 0 CAADLO C[C@@H]1CO[C@@H](C(=O)NCC2C[NH+](CC(=O)NC(N)=O)C2)C1 ZINC001421145874 890488250 /nfs/dbraw/zinc/48/82/50/890488250.db2.gz UALUSVQMKHLXII-WCBMZHEXSA-N 1 2 298.343 -1.346 20 0 CAADLO Cn1cnn(CCC(=O)NCC2C[NH+](CCF)C2)c1=O ZINC001421162268 890488677 /nfs/dbraw/zinc/48/86/77/890488677.db2.gz ZQTJFKCNTYUZQX-UHFFFAOYSA-N 1 2 285.323 -1.011 20 0 CAADLO C[C@H]1CO[C@@H](C(=O)NCC2C[NH+](CC(=O)NC(N)=O)C2)C1 ZINC001421145864 890488986 /nfs/dbraw/zinc/48/89/86/890488986.db2.gz UALUSVQMKHLXII-PSASIEDQSA-N 1 2 298.343 -1.346 20 0 CAADLO C[C@@H](C(N)=O)[NH+]1CC(CNC(=O)CN2CCOCC2)C1 ZINC001421128978 890489215 /nfs/dbraw/zinc/48/92/15/890489215.db2.gz ZOKQXPDPYCNWHM-JTQLQIEISA-N 1 2 284.360 -1.760 20 0 CAADLO C[C@@H](CS(C)(=O)=O)C(=O)NCC1C[NH+](CCO)C1 ZINC001421184751 890489999 /nfs/dbraw/zinc/48/99/99/890489999.db2.gz AETMOWJGZAQAOZ-VIFPVBQESA-N 1 2 278.374 -1.293 20 0 CAADLO CN(C)C(=O)C[NH+]1CC(CNC(=O)CCn2cnnn2)C1 ZINC001421169781 890490288 /nfs/dbraw/zinc/49/02/88/890490288.db2.gz VPFSUNDIFAYOAU-UHFFFAOYSA-N 1 2 295.347 -1.801 20 0 CAADLO CNC(=O)C[NH+]1CC(CNC(=O)CCn2cnnn2)C1 ZINC001421166861 890491008 /nfs/dbraw/zinc/49/10/08/890491008.db2.gz MZIXTSAAZAKLIK-UHFFFAOYSA-N 1 2 281.320 -2.143 20 0 CAADLO NC(=O)C[NH+]1CC(CNC(=O)CCc2cnccn2)C1 ZINC001421168473 890491557 /nfs/dbraw/zinc/49/15/57/890491557.db2.gz IIZINLHSKRVFQP-UHFFFAOYSA-N 1 2 277.328 -1.058 20 0 CAADLO O=C(Cn1cncn1)NCC1C[NH+](CC(=O)NC2CC2)C1 ZINC001421187833 890492485 /nfs/dbraw/zinc/49/24/85/890492485.db2.gz HVSRLEWMSLEGRR-UHFFFAOYSA-N 1 2 292.343 -1.395 20 0 CAADLO NC(=O)NC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001421251361 890494209 /nfs/dbraw/zinc/49/42/09/890494209.db2.gz XXEQVKXOYFMCTA-WYOJIJJFSA-N 1 2 296.327 -1.736 20 0 CAADLO NC(=O)NC(=O)C[N@H+]1CC[C@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001421251361 890494215 /nfs/dbraw/zinc/49/42/15/890494215.db2.gz XXEQVKXOYFMCTA-WYOJIJJFSA-N 1 2 296.327 -1.736 20 0 CAADLO Cc1cc(C(=O)NC[C@]2(O)CC[N@H+](CC(N)=O)C2)on1 ZINC001421333333 890494743 /nfs/dbraw/zinc/49/47/43/890494743.db2.gz QSWFXQXNCKNAJL-GFCCVEGCSA-N 1 2 282.300 -1.365 20 0 CAADLO Cc1cc(C(=O)NC[C@]2(O)CC[N@@H+](CC(N)=O)C2)on1 ZINC001421333333 890494749 /nfs/dbraw/zinc/49/47/49/890494749.db2.gz QSWFXQXNCKNAJL-GFCCVEGCSA-N 1 2 282.300 -1.365 20 0 CAADLO CO[C@H](C)C(=O)N[C@@H]1CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001421261533 890495036 /nfs/dbraw/zinc/49/50/36/890495036.db2.gz NOZBYVIKVLCQLB-HTQZYQBOSA-N 1 2 272.305 -1.593 20 0 CAADLO CO[C@H](C)C(=O)N[C@@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001421261533 890495041 /nfs/dbraw/zinc/49/50/41/890495041.db2.gz NOZBYVIKVLCQLB-HTQZYQBOSA-N 1 2 272.305 -1.593 20 0 CAADLO CCS(=O)(=O)CC(=O)N[C@@H]1CC[N@H+](CCCO)C1 ZINC001421288973 890495261 /nfs/dbraw/zinc/49/52/61/890495261.db2.gz GXXFLPZSCUZQHL-SNVBAGLBSA-N 1 2 278.374 -1.006 20 0 CAADLO CCS(=O)(=O)CC(=O)N[C@@H]1CC[N@@H+](CCCO)C1 ZINC001421288973 890495265 /nfs/dbraw/zinc/49/52/65/890495265.db2.gz GXXFLPZSCUZQHL-SNVBAGLBSA-N 1 2 278.374 -1.006 20 0 CAADLO CCN(C(=O)[C@H](C)NC(C)=O)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001421361064 890497895 /nfs/dbraw/zinc/49/78/95/890497895.db2.gz WHUGRRWSTQIKNJ-ONGXEEELSA-N 1 2 284.360 -1.081 20 0 CAADLO CCN(C(=O)[C@H](C)NC(C)=O)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001421361064 890497907 /nfs/dbraw/zinc/49/79/07/890497907.db2.gz WHUGRRWSTQIKNJ-ONGXEEELSA-N 1 2 284.360 -1.081 20 0 CAADLO CCN(C(=O)[C@H](C)NC(C)=O)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001421361056 890498139 /nfs/dbraw/zinc/49/81/39/890498139.db2.gz WHUGRRWSTQIKNJ-GXSJLCMTSA-N 1 2 284.360 -1.081 20 0 CAADLO CCN(C(=O)[C@H](C)NC(C)=O)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001421361056 890498150 /nfs/dbraw/zinc/49/81/50/890498150.db2.gz WHUGRRWSTQIKNJ-GXSJLCMTSA-N 1 2 284.360 -1.081 20 0 CAADLO CCN(C(=O)Cn1ncnn1)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001421367711 890504738 /nfs/dbraw/zinc/50/47/38/890504738.db2.gz ZCJQRLCDFGKNCK-SECBINFHSA-N 1 2 281.320 -1.919 20 0 CAADLO CCN(C(=O)Cn1ncnn1)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001421367711 890504745 /nfs/dbraw/zinc/50/47/45/890504745.db2.gz ZCJQRLCDFGKNCK-SECBINFHSA-N 1 2 281.320 -1.919 20 0 CAADLO CC[C@H](CNC(=O)[C@@H]1COC(=O)N1)[NH2+]Cc1nnn(C)n1 ZINC001421399612 890507247 /nfs/dbraw/zinc/50/72/47/890507247.db2.gz HJALHSJMEPGUQD-SFYZADRCSA-N 1 2 297.319 -1.697 20 0 CAADLO C[C@@H](O)C[NH+]1CC(O)(CNC(=O)c2nccnc2N)C1 ZINC001421428382 890510217 /nfs/dbraw/zinc/51/02/17/890510217.db2.gz SSZYJXWXBHKVGR-MRVPVSSYSA-N 1 2 281.316 -1.784 20 0 CAADLO C[C@H](O)C[NH+]1CC(O)(CNC(=O)[C@@H]2COCCO2)C1 ZINC001421420067 890510237 /nfs/dbraw/zinc/51/02/37/890510237.db2.gz VMLIGLANHYIJDP-UWVGGRQHSA-N 1 2 274.317 -2.055 20 0 CAADLO C[C@H](C(=O)NCC1(O)C[NH+](C[C@H](C)O)C1)n1cncn1 ZINC001421429366 890510563 /nfs/dbraw/zinc/51/05/63/890510563.db2.gz YWAPECQRSMTUQS-VHSXEESVSA-N 1 2 283.332 -1.617 20 0 CAADLO CO[C@H](C)C[NH+]1CC(O)(CNC(=O)C2CN(C(C)=O)C2)C1 ZINC001421422345 890510659 /nfs/dbraw/zinc/51/06/59/890510659.db2.gz CXIKINBPBHQQPK-SNVBAGLBSA-N 1 2 299.371 -1.338 20 0 CAADLO C[C@H](NC(N)=O)C(=O)NCC1(O)C[NH+](CCCF)C1 ZINC001421426498 890510720 /nfs/dbraw/zinc/51/07/20/890510720.db2.gz QSWDXOYLMKSBLQ-QMMMGPOBSA-N 1 2 276.312 -1.434 20 0 CAADLO C[C@@H](O)C[NH+]1CC(O)(CNC(=O)[C@H](C)n2cncn2)C1 ZINC001421429368 890511078 /nfs/dbraw/zinc/51/10/78/890511078.db2.gz YWAPECQRSMTUQS-ZJUUUORDSA-N 1 2 283.332 -1.617 20 0 CAADLO Cc1c(C(=O)NCC2(O)C[NH+](C[C@@H](C)O)C2)nnn1C ZINC001421422687 890511254 /nfs/dbraw/zinc/51/12/54/890511254.db2.gz HNERFRPKXPOOPF-MRVPVSSYSA-N 1 2 283.332 -1.719 20 0 CAADLO C[C@H](O)C[NH+]1CC(O)(CNC(=O)Cn2ncnn2)C1 ZINC001421432718 890511770 /nfs/dbraw/zinc/51/17/70/890511770.db2.gz DTQRHVYAXQCKFU-QMMMGPOBSA-N 1 2 270.293 -2.783 20 0 CAADLO O=C(CN1CCOCC1)NCC1(O)C[NH+](CCCF)C1 ZINC001421421873 890511874 /nfs/dbraw/zinc/51/18/74/890511874.db2.gz BTRQKNAQPZWMFL-UHFFFAOYSA-N 1 2 289.351 -1.159 20 0 CAADLO C[C@@H](O)C[NH+]1CC(O)(CNC(=O)Cn2ncnn2)C1 ZINC001421432713 890511996 /nfs/dbraw/zinc/51/19/96/890511996.db2.gz DTQRHVYAXQCKFU-MRVPVSSYSA-N 1 2 270.293 -2.783 20 0 CAADLO C[C@H](O)C[NH+]1CC(O)(CNC(=O)c2ccn(C)c(=O)c2)C1 ZINC001421461699 890513453 /nfs/dbraw/zinc/51/34/53/890513453.db2.gz ZDJHIPWUZBGHSD-JTQLQIEISA-N 1 2 295.339 -1.457 20 0 CAADLO Cn1ncc(C(=O)NCC2(O)C[NH+](CCCF)C2)n1 ZINC001421476879 890513471 /nfs/dbraw/zinc/51/34/71/890513471.db2.gz LZXPSZHDCNFQJT-UHFFFAOYSA-N 1 2 271.296 -1.049 20 0 CAADLO C[C@H](O)C[NH+]1CC(O)(CNC(=O)C[C@H]2CCCC(=O)N2)C1 ZINC001421464352 890513523 /nfs/dbraw/zinc/51/35/23/890513523.db2.gz RWWIWNPQWYVMAB-WDEREUQCSA-N 1 2 299.371 -1.411 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(O)(CNC(=O)Cc2cnoc2)C1 ZINC001421465426 890513543 /nfs/dbraw/zinc/51/35/43/890513543.db2.gz IPVJOMXTICCPAV-NSHDSACASA-N 1 2 299.327 -1.613 20 0 CAADLO O=C(CCn1cnnn1)NCC1(O)C[NH+](CCCF)C1 ZINC001421491969 890513803 /nfs/dbraw/zinc/51/38/03/890513803.db2.gz CVYWBYCAQKBJSN-UHFFFAOYSA-N 1 2 286.311 -1.414 20 0 CAADLO O=C(Cc1c[nH]c[nH+]1)NCC1(O)CN([C@H]2CCNC2=O)C1 ZINC001421471794 890514435 /nfs/dbraw/zinc/51/44/35/890514435.db2.gz AHMMFZAIHLUOEG-JTQLQIEISA-N 1 2 293.327 -1.996 20 0 CAADLO C[C@H](O)C[NH+]1CC(O)(CNC(=O)C[C@@H]2CCCC(=O)N2)C1 ZINC001421464348 890514785 /nfs/dbraw/zinc/51/47/85/890514785.db2.gz RWWIWNPQWYVMAB-QWRGUYRKSA-N 1 2 299.371 -1.411 20 0 CAADLO C[C@@H](O)C[NH+]1CC(O)(CNC(=O)c2ccn(C)c(=O)c2)C1 ZINC001421461701 890514883 /nfs/dbraw/zinc/51/48/83/890514883.db2.gz ZDJHIPWUZBGHSD-SNVBAGLBSA-N 1 2 295.339 -1.457 20 0 CAADLO COC[C@H](O)C[NH+]1CC(O)(CNC(=O)c2[nH]cnc2C)C1 ZINC001421514794 890516379 /nfs/dbraw/zinc/51/63/79/890516379.db2.gz DNJNOYHZWFMFMA-SNVBAGLBSA-N 1 2 298.343 -1.498 20 0 CAADLO CC[NH+]1CC(O)(CNC(=O)CCS(=O)(=O)N(C)C)C1 ZINC001421502992 890517567 /nfs/dbraw/zinc/51/75/67/890517567.db2.gz LGNUCURXZROMEA-UHFFFAOYSA-N 1 2 293.389 -1.549 20 0 CAADLO COCCC(=O)N[C@]1(CO)CCC[N@@H+]([C@@H](C)C(N)=O)C1 ZINC001421592931 890519387 /nfs/dbraw/zinc/51/93/87/890519387.db2.gz LNATXFFHZWYDIN-GXFFZTMASA-N 1 2 287.360 -1.160 20 0 CAADLO COCCC(=O)N[C@]1(CO)CCC[N@H+]([C@@H](C)C(N)=O)C1 ZINC001421592931 890519399 /nfs/dbraw/zinc/51/93/99/890519399.db2.gz LNATXFFHZWYDIN-GXFFZTMASA-N 1 2 287.360 -1.160 20 0 CAADLO COC1CC(C(=O)N[C@]2(CO)CCC[N@H+](CC(N)=O)C2)C1 ZINC001421611605 890520351 /nfs/dbraw/zinc/52/03/51/890520351.db2.gz MCZDXNZWGJDBME-QIMFLAQGSA-N 1 2 299.371 -1.160 20 0 CAADLO COC1CC(C(=O)N[C@]2(CO)CCC[N@@H+](CC(N)=O)C2)C1 ZINC001421611605 890520358 /nfs/dbraw/zinc/52/03/58/890520358.db2.gz MCZDXNZWGJDBME-QIMFLAQGSA-N 1 2 299.371 -1.160 20 0 CAADLO C[C@@H](O)C[N@@H+]1CCC[C@@](CO)(NC(=O)c2nc[nH]n2)C1 ZINC001421611849 890522226 /nfs/dbraw/zinc/52/22/26/890522226.db2.gz ISHPIWFWDJMPJE-BXKDBHETSA-N 1 2 283.332 -1.258 20 0 CAADLO C[C@@H](O)C[N@H+]1CCC[C@@](CO)(NC(=O)c2nc[nH]n2)C1 ZINC001421611849 890522237 /nfs/dbraw/zinc/52/22/37/890522237.db2.gz ISHPIWFWDJMPJE-BXKDBHETSA-N 1 2 283.332 -1.258 20 0 CAADLO CCOCC(=O)N[C@@]1(CO)CCC[N@H+](CC(N)=O)C1 ZINC001421596577 890522477 /nfs/dbraw/zinc/52/24/77/890522477.db2.gz FNFXAGSZKYWDKM-LBPRGKRZSA-N 1 2 273.333 -1.549 20 0 CAADLO CCOCC(=O)N[C@@]1(CO)CCC[N@@H+](CC(N)=O)C1 ZINC001421596577 890522487 /nfs/dbraw/zinc/52/24/87/890522487.db2.gz FNFXAGSZKYWDKM-LBPRGKRZSA-N 1 2 273.333 -1.549 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@@](CO)(NC(=O)Cc2ccc[nH]2)C1 ZINC001421617388 890522517 /nfs/dbraw/zinc/52/25/17/890522517.db2.gz KYELLGPZAMMTQS-CQSZACIVSA-N 1 2 294.355 -1.014 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@@](CO)(NC(=O)Cc2ccc[nH]2)C1 ZINC001421617388 890522523 /nfs/dbraw/zinc/52/25/23/890522523.db2.gz KYELLGPZAMMTQS-CQSZACIVSA-N 1 2 294.355 -1.014 20 0 CAADLO CC(C)OCC(=O)N[C@@]1(CO)CCC[N@H+](CC(N)=O)C1 ZINC001421593288 890522687 /nfs/dbraw/zinc/52/26/87/890522687.db2.gz BFELXRYFMRJMTB-ZDUSSCGKSA-N 1 2 287.360 -1.160 20 0 CAADLO CC(C)OCC(=O)N[C@@]1(CO)CCC[N@@H+](CC(N)=O)C1 ZINC001421593288 890522694 /nfs/dbraw/zinc/52/26/94/890522694.db2.gz BFELXRYFMRJMTB-ZDUSSCGKSA-N 1 2 287.360 -1.160 20 0 CAADLO CO[C@@H](C)C[N@H+]1CCOC[C@H]1CNC(=O)CNC(C)=O ZINC001421677581 890525480 /nfs/dbraw/zinc/52/54/80/890525480.db2.gz ALRHIRJMUNJEKO-CMPLNLGQSA-N 1 2 287.360 -1.026 20 0 CAADLO CO[C@@H](C)C[N@@H+]1CCOC[C@H]1CNC(=O)CNC(C)=O ZINC001421677581 890525476 /nfs/dbraw/zinc/52/54/76/890525476.db2.gz ALRHIRJMUNJEKO-CMPLNLGQSA-N 1 2 287.360 -1.026 20 0 CAADLO CC[N@@H+]1CCOC[C@H]1CNC(=O)Cn1ccc(=O)[nH]c1=O ZINC001421713003 890529314 /nfs/dbraw/zinc/52/93/14/890529314.db2.gz UIUYPPUBTJWBJT-SNVBAGLBSA-N 1 2 296.327 -1.214 20 0 CAADLO CC[N@H+]1CCOC[C@H]1CNC(=O)Cn1ccc(=O)[nH]c1=O ZINC001421713003 890529327 /nfs/dbraw/zinc/52/93/27/890529327.db2.gz UIUYPPUBTJWBJT-SNVBAGLBSA-N 1 2 296.327 -1.214 20 0 CAADLO O=C(CNC(=O)C1CC1)NC[C@@H]1COCC[N@H+]1CCCO ZINC001421697882 890529641 /nfs/dbraw/zinc/52/96/41/890529641.db2.gz XIDUVVXRGOUWMK-GFCCVEGCSA-N 1 2 299.371 -1.288 20 0 CAADLO O=C(CNC(=O)C1CC1)NC[C@@H]1COCC[N@@H+]1CCCO ZINC001421697882 890529650 /nfs/dbraw/zinc/52/96/50/890529650.db2.gz XIDUVVXRGOUWMK-GFCCVEGCSA-N 1 2 299.371 -1.288 20 0 CAADLO COCC[N@@H+]1CCO[C@@H](CNC(=O)[C@@H](C)NC(C)=O)C1 ZINC001421775829 890531072 /nfs/dbraw/zinc/53/10/72/890531072.db2.gz GSXCZJNILPSMBR-PWSUYJOCSA-N 1 2 287.360 -1.026 20 0 CAADLO COCC[N@H+]1CCO[C@@H](CNC(=O)[C@@H](C)NC(C)=O)C1 ZINC001421775829 890531082 /nfs/dbraw/zinc/53/10/82/890531082.db2.gz GSXCZJNILPSMBR-PWSUYJOCSA-N 1 2 287.360 -1.026 20 0 CAADLO COCC[N@H+]1CCO[C@H](CNC(=O)[C@@H](C)NC(C)=O)C1 ZINC001421775832 890532349 /nfs/dbraw/zinc/53/23/49/890532349.db2.gz GSXCZJNILPSMBR-ZYHUDNBSSA-N 1 2 287.360 -1.026 20 0 CAADLO CNC(=O)NCCC(=O)NC[C@@H]1C[N@H+](CCO)CCO1 ZINC001421777974 890532226 /nfs/dbraw/zinc/53/22/26/890532226.db2.gz NPYCFBRXZJNMEB-SNVBAGLBSA-N 1 2 288.348 -1.885 20 0 CAADLO CNC(=O)NCCC(=O)NC[C@@H]1C[N@@H+](CCO)CCO1 ZINC001421777974 890532233 /nfs/dbraw/zinc/53/22/33/890532233.db2.gz NPYCFBRXZJNMEB-SNVBAGLBSA-N 1 2 288.348 -1.885 20 0 CAADLO COCC[N@@H+]1CCO[C@H](CNC(=O)[C@@H](C)NC(C)=O)C1 ZINC001421775832 890532333 /nfs/dbraw/zinc/53/23/33/890532333.db2.gz GSXCZJNILPSMBR-ZYHUDNBSSA-N 1 2 287.360 -1.026 20 0 CAADLO C[C@H](CC(N)=O)C(=O)NC[C@@H]1C[N@H+](CCO)CCO1 ZINC001421790905 890534934 /nfs/dbraw/zinc/53/49/34/890534934.db2.gz KNDRKWAMVMSXRB-NXEZZACHSA-N 1 2 273.333 -1.693 20 0 CAADLO C[C@H](CC(N)=O)C(=O)NC[C@@H]1C[N@@H+](CCO)CCO1 ZINC001421790905 890534943 /nfs/dbraw/zinc/53/49/43/890534943.db2.gz KNDRKWAMVMSXRB-NXEZZACHSA-N 1 2 273.333 -1.693 20 0 CAADLO C[C@@H](CC(N)=O)C(=O)NC[C@H]1C[N@H+](CCO)CCO1 ZINC001421790907 890534992 /nfs/dbraw/zinc/53/49/92/890534992.db2.gz KNDRKWAMVMSXRB-UWVGGRQHSA-N 1 2 273.333 -1.693 20 0 CAADLO C[C@@H](CC(N)=O)C(=O)NC[C@@H]1C[N@H+](CCO)CCO1 ZINC001421791873 890536793 /nfs/dbraw/zinc/53/67/93/890536793.db2.gz KNDRKWAMVMSXRB-VHSXEESVSA-N 1 2 273.333 -1.693 20 0 CAADLO C[C@@H](CC(N)=O)C(=O)NC[C@@H]1C[N@@H+](CCO)CCO1 ZINC001421791873 890536797 /nfs/dbraw/zinc/53/67/97/890536797.db2.gz KNDRKWAMVMSXRB-VHSXEESVSA-N 1 2 273.333 -1.693 20 0 CAADLO COCC(=O)N1CCC[C@](CO)([NH2+]Cc2nnnn2C)C1 ZINC001421958412 890543079 /nfs/dbraw/zinc/54/30/79/890543079.db2.gz PBTVSBMMICRXML-LBPRGKRZSA-N 1 2 298.347 -1.700 20 0 CAADLO O=C(CNC(=O)C1CC1)N[C@H]1COC2(C[NH+](CCO)C2)C1 ZINC001421948262 890543975 /nfs/dbraw/zinc/54/39/75/890543975.db2.gz RFVCPPPNZCSNHH-LLVKDONJSA-N 1 2 297.355 -1.536 20 0 CAADLO C[C@@H](CC(N)=O)C(=O)N[C@H]1COC2(C[NH+](CCO)C2)C1 ZINC001421929945 890544578 /nfs/dbraw/zinc/54/45/78/890544578.db2.gz BPFYEXLVFJHCNE-VHSXEESVSA-N 1 2 285.344 -1.550 20 0 CAADLO COCC(=O)N1CCC[C@@](CO)([NH2+]Cc2cnn(C)n2)C1 ZINC001421960817 890544610 /nfs/dbraw/zinc/54/46/10/890544610.db2.gz XEWRFFNUFGCWQS-CYBMUJFWSA-N 1 2 297.359 -1.095 20 0 CAADLO COCC(=O)N1CCC[C@](CO)([NH2+]Cc2cnn(C)n2)C1 ZINC001421960820 890544779 /nfs/dbraw/zinc/54/47/79/890544779.db2.gz XEWRFFNUFGCWQS-ZDUSSCGKSA-N 1 2 297.359 -1.095 20 0 CAADLO CCNC(=O)C[NH2+][C@@H]1CN(C(=O)Cc2ncn[nH]2)C[C@@H]1C ZINC001422040594 890545780 /nfs/dbraw/zinc/54/57/80/890545780.db2.gz ASCFLALQTHIUIH-VHSXEESVSA-N 1 2 294.359 -1.080 20 0 CAADLO CCNC(=O)C[NH2+][C@H]1CN(C(=O)Cc2ncn[nH]2)C[C@H]1C ZINC001422040596 890547675 /nfs/dbraw/zinc/54/76/75/890547675.db2.gz ASCFLALQTHIUIH-ZJUUUORDSA-N 1 2 294.359 -1.080 20 0 CAADLO CNC(=O)C[N@H+](C)CCN(C)C(=O)CN(C)C(C)=O ZINC001422146053 890550660 /nfs/dbraw/zinc/55/06/60/890550660.db2.gz ZDYPXPXLEHPCPV-UHFFFAOYSA-N 1 2 272.349 -1.399 20 0 CAADLO CNC(=O)C[N@@H+](C)CCN(C)C(=O)CN(C)C(C)=O ZINC001422146053 890550677 /nfs/dbraw/zinc/55/06/77/890550677.db2.gz ZDYPXPXLEHPCPV-UHFFFAOYSA-N 1 2 272.349 -1.399 20 0 CAADLO CNC(=O)C[N@H+](C)CCN(C)C(=O)CN1CCNC(=O)C1 ZINC001422180395 890552449 /nfs/dbraw/zinc/55/24/49/890552449.db2.gz BRTXNBPQOFABBA-UHFFFAOYSA-N 1 2 299.375 -2.446 20 0 CAADLO CNC(=O)C[N@@H+](C)CCN(C)C(=O)CN1CCNC(=O)C1 ZINC001422180395 890552457 /nfs/dbraw/zinc/55/24/57/890552457.db2.gz BRTXNBPQOFABBA-UHFFFAOYSA-N 1 2 299.375 -2.446 20 0 CAADLO CN(CC[N@H+](C)Cc1ccnn1C)C(=O)[C@H]1CNC(=O)N1 ZINC001422192085 890553263 /nfs/dbraw/zinc/55/32/63/890553263.db2.gz IURGFFKKHXBEHY-LLVKDONJSA-N 1 2 294.359 -1.008 20 0 CAADLO CN(CC[N@@H+](C)Cc1ccnn1C)C(=O)[C@H]1CNC(=O)N1 ZINC001422192085 890553275 /nfs/dbraw/zinc/55/32/75/890553275.db2.gz IURGFFKKHXBEHY-LLVKDONJSA-N 1 2 294.359 -1.008 20 0 CAADLO CN(CC[N@H+](C)CC(N)=O)C(=O)CN(C)S(C)(=O)=O ZINC001422159520 890553763 /nfs/dbraw/zinc/55/37/63/890553763.db2.gz CBMKCDWLWFGWPC-UHFFFAOYSA-N 1 2 294.377 -2.247 20 0 CAADLO CN(CC[N@@H+](C)CC(N)=O)C(=O)CN(C)S(C)(=O)=O ZINC001422159520 890553771 /nfs/dbraw/zinc/55/37/71/890553771.db2.gz CBMKCDWLWFGWPC-UHFFFAOYSA-N 1 2 294.377 -2.247 20 0 CAADLO CNC(=O)C[N@H+](C)CCN(C)C(=O)c1cn(C)c(=O)[nH]1 ZINC001422195564 890554335 /nfs/dbraw/zinc/55/43/35/890554335.db2.gz HLTNRSQAKUTNPY-UHFFFAOYSA-N 1 2 283.332 -1.125 20 0 CAADLO CNC(=O)C[N@@H+](C)CCN(C)C(=O)c1cn(C)c(=O)[nH]1 ZINC001422195564 890554351 /nfs/dbraw/zinc/55/43/51/890554351.db2.gz HLTNRSQAKUTNPY-UHFFFAOYSA-N 1 2 283.332 -1.125 20 0 CAADLO CN(CC[N@H+](C)CC(N)=O)C(=O)[C@@]1(C)CCNC(=O)C1 ZINC001422175925 890554436 /nfs/dbraw/zinc/55/44/36/890554436.db2.gz QBKOJFSLRNPUHS-ZDUSSCGKSA-N 1 2 284.360 -1.222 20 0 CAADLO CN(CC[N@@H+](C)CC(N)=O)C(=O)[C@@]1(C)CCNC(=O)C1 ZINC001422175925 890554452 /nfs/dbraw/zinc/55/44/52/890554452.db2.gz QBKOJFSLRNPUHS-ZDUSSCGKSA-N 1 2 284.360 -1.222 20 0 CAADLO CCOCC(=O)NC1(CO)CC[NH+](CC(N)=O)CC1 ZINC001422195864 890555381 /nfs/dbraw/zinc/55/53/81/890555381.db2.gz NNUPRDVSFQLOQB-UHFFFAOYSA-N 1 2 273.333 -1.549 20 0 CAADLO CO[C@@H](C(=O)NC1(CO)CC[NH+](CC(N)=O)CC1)C1CC1 ZINC001422193955 890555512 /nfs/dbraw/zinc/55/55/12/890555512.db2.gz IUPCMRTVKFBPJJ-GFCCVEGCSA-N 1 2 299.371 -1.160 20 0 CAADLO CN(CC[N@H+](C)Cc1cnnn1C)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001422199858 890555596 /nfs/dbraw/zinc/55/55/96/890555596.db2.gz JIRDSVVIUZEYAQ-MNOVXSKESA-N 1 2 294.359 -1.173 20 0 CAADLO CN(CC[N@@H+](C)Cc1cnnn1C)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001422199858 890555602 /nfs/dbraw/zinc/55/56/02/890555602.db2.gz JIRDSVVIUZEYAQ-MNOVXSKESA-N 1 2 294.359 -1.173 20 0 CAADLO CNC(=O)C[NH+]1CCC(CO)(NC(=O)c2cn[nH]n2)CC1 ZINC001422185514 890555833 /nfs/dbraw/zinc/55/58/33/890555833.db2.gz ORPQOKYRZUIERC-UHFFFAOYSA-N 1 2 296.331 -1.893 20 0 CAADLO C[C@@H]1CO[C@@H](C(=O)NC2(CO)CC[NH+](CC(N)=O)CC2)C1 ZINC001422207926 890556840 /nfs/dbraw/zinc/55/68/40/890556840.db2.gz SUEFUSOEKYXVDT-WDEREUQCSA-N 1 2 299.371 -1.160 20 0 CAADLO CNC(=O)C[NH+](CCCC(=O)NC(N)=O)CC(=O)NC ZINC001422217429 890557347 /nfs/dbraw/zinc/55/73/47/890557347.db2.gz WCUNGUSOLDMVFY-UHFFFAOYSA-N 1 2 287.320 -2.245 20 0 CAADLO COCC(=O)NC[C@H](O)C[NH2+]Cc1nc(N(C)C)no1 ZINC001422264830 890561444 /nfs/dbraw/zinc/56/14/44/890561444.db2.gz DVMBOLIURBFCJO-MRVPVSSYSA-N 1 2 287.320 -1.651 20 0 CAADLO Cc1noc(C[NH2+]C[C@H](O)CNC(=O)[C@@H]2CCOC2)n1 ZINC001422286966 890569144 /nfs/dbraw/zinc/56/91/44/890569144.db2.gz LWNBLACHSXXTMN-ZJUUUORDSA-N 1 2 284.316 -1.019 20 0 CAADLO Cc1noc(C[NH2+]C[C@H](O)CNC(=O)[C@H]2CCOC2)n1 ZINC001422286958 890569935 /nfs/dbraw/zinc/56/99/35/890569935.db2.gz LWNBLACHSXXTMN-UWVGGRQHSA-N 1 2 284.316 -1.019 20 0 CAADLO Cn1cnc(C(=O)NC[C@H](O)C[NH2+]Cc2csnn2)n1 ZINC001422319758 890575696 /nfs/dbraw/zinc/57/56/96/890575696.db2.gz ZJWOPIHHWZTGBR-MRVPVSSYSA-N 1 2 297.344 -1.453 20 0 CAADLO O=C(Cc1nnc[nH]1)NC[C@@H](O)C[NH2+]Cc1cnns1 ZINC001422395359 890586748 /nfs/dbraw/zinc/58/67/48/890586748.db2.gz GRHJKWVVZUGDKC-ZETCQYMHSA-N 1 2 297.344 -1.534 20 0 CAADLO C[C@@H]([NH2+]Cc1nc(=O)n(C)[nH]1)[C@H](C)NC(=O)c1nnc[nH]1 ZINC001422384683 890588286 /nfs/dbraw/zinc/58/82/86/890588286.db2.gz VGDIIGGYJHBMMD-RQJHMYQMSA-N 1 2 294.319 -1.477 20 0 CAADLO C[C@@H]([NH2+]Cc1nc(=O)n(C)[nH]1)[C@H](C)NC(=O)c1ncn[nH]1 ZINC001422384683 890588296 /nfs/dbraw/zinc/58/82/96/890588296.db2.gz VGDIIGGYJHBMMD-RQJHMYQMSA-N 1 2 294.319 -1.477 20 0 CAADLO C[C@@H](NC(=O)c1nnc[nH]1)[C@@H](C)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001422384681 890588544 /nfs/dbraw/zinc/58/85/44/890588544.db2.gz VGDIIGGYJHBMMD-RNFRBKRXSA-N 1 2 294.319 -1.477 20 0 CAADLO C[C@@H](NC(=O)c1ncn[nH]1)[C@@H](C)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001422384681 890588548 /nfs/dbraw/zinc/58/85/48/890588548.db2.gz VGDIIGGYJHBMMD-RNFRBKRXSA-N 1 2 294.319 -1.477 20 0 CAADLO Cc1noc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2CCC(=O)N2)n1 ZINC001422409706 890591754 /nfs/dbraw/zinc/59/17/54/890591754.db2.gz RKDNVEUFNPOPGO-BDAKNGLRSA-N 1 2 297.315 -1.777 20 0 CAADLO Cc1noc(C[NH2+]C[C@H](O)CNC(=O)Cn2cncn2)n1 ZINC001422416488 890592732 /nfs/dbraw/zinc/59/27/32/890592732.db2.gz XEFJHXULHUVWLV-VIFPVBQESA-N 1 2 295.303 -1.764 20 0 CAADLO CNC(=O)[C@H](C)[N@H+](C)[C@@H](C)CNC(=O)Cc1nnc[nH]1 ZINC001422576966 890600121 /nfs/dbraw/zinc/60/01/21/890600121.db2.gz IBAGXNMEIYXRLG-IUCAKERBSA-N 1 2 282.348 -1.082 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+](C)[C@@H](C)CNC(=O)Cc1nnc[nH]1 ZINC001422576966 890600127 /nfs/dbraw/zinc/60/01/27/890600127.db2.gz IBAGXNMEIYXRLG-IUCAKERBSA-N 1 2 282.348 -1.082 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+](C)[C@@H](C)CNC(=O)Cc1nnc[nH]1 ZINC001422576965 890601019 /nfs/dbraw/zinc/60/10/19/890601019.db2.gz IBAGXNMEIYXRLG-DTWKUNHWSA-N 1 2 282.348 -1.082 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+](C)[C@@H](C)CNC(=O)Cc1nnc[nH]1 ZINC001422576965 890601021 /nfs/dbraw/zinc/60/10/21/890601021.db2.gz IBAGXNMEIYXRLG-DTWKUNHWSA-N 1 2 282.348 -1.082 20 0 CAADLO O=C(NC1(CCO)C[NH+](CCO)C1)[C@H]1COC(=O)N1 ZINC001422623787 890602752 /nfs/dbraw/zinc/60/27/52/890602752.db2.gz XTOFYTOYKBNSEU-MRVPVSSYSA-N 1 2 273.289 -2.360 20 0 CAADLO C[C@@H](O)C[NH+]1CC(CCO)(NC(=O)c2cn(C)cn2)C1 ZINC001422627101 890602945 /nfs/dbraw/zinc/60/29/45/890602945.db2.gz YXWDLYXMDMVUAR-SNVBAGLBSA-N 1 2 282.344 -1.033 20 0 CAADLO C[C@@H](O)C[NH+]1CC(CCO)(NC(=O)c2ncn(C)n2)C1 ZINC001422622416 890603112 /nfs/dbraw/zinc/60/31/12/890603112.db2.gz PTQXVDYQTAFOAC-SECBINFHSA-N 1 2 283.332 -1.638 20 0 CAADLO COCC[NH+]1CC(CCO)(NC(=O)Cn2cnnn2)C1 ZINC001422601332 890603664 /nfs/dbraw/zinc/60/36/64/890603664.db2.gz WNJJEILVDYJUBS-UHFFFAOYSA-N 1 2 284.320 -2.128 20 0 CAADLO C[C@H](O)C[NH+]1CC(CCO)(NC(=O)c2cn[nH]c(=O)c2)C1 ZINC001422627822 890603880 /nfs/dbraw/zinc/60/38/80/890603880.db2.gz KUFJQYOWEWYNFR-VIFPVBQESA-N 1 2 296.327 -1.270 20 0 CAADLO Cn1cc(C(=O)NC2(CCO)C[NH+](CCCO)C2)cn1 ZINC001422602469 890604082 /nfs/dbraw/zinc/60/40/82/890604082.db2.gz ZNYBHFCCYHXWSG-UHFFFAOYSA-N 1 2 282.344 -1.031 20 0 CAADLO C[C@@H](O)C[NH+]1CC(CCO)(NC(=O)c2cn[nH]c(=O)c2)C1 ZINC001422627818 890604272 /nfs/dbraw/zinc/60/42/72/890604272.db2.gz KUFJQYOWEWYNFR-SECBINFHSA-N 1 2 296.327 -1.270 20 0 CAADLO CO[C@H](C)C[NH+]1CC(CCO)(NC(=O)[C@H]2CCC(=O)N2)C1 ZINC001422606321 890604750 /nfs/dbraw/zinc/60/47/50/890604750.db2.gz RBGFFABRPFLJOH-GHMZBOCLSA-N 1 2 299.371 -1.147 20 0 CAADLO Cn1cc(C(=O)NC2(CCO)C[NH+](CCO)C2)ccc1=O ZINC001422628596 890605692 /nfs/dbraw/zinc/60/56/92/890605692.db2.gz HKCZMBQXIFPCMD-UHFFFAOYSA-N 1 2 295.339 -1.456 20 0 CAADLO C[C@@H](O)C[NH+]1CC(CCO)(NC(=O)Cc2cncn2C)C1 ZINC001422649232 890606028 /nfs/dbraw/zinc/60/60/28/890606028.db2.gz KJIHPBPLPBVSPU-LLVKDONJSA-N 1 2 296.371 -1.104 20 0 CAADLO Cn1ccc(CCC(=O)NC2(CCO)C[NH+](CCO)C2)n1 ZINC001422633095 890606050 /nfs/dbraw/zinc/60/60/50/890606050.db2.gz MVLIYJNFOOCKDZ-UHFFFAOYSA-N 1 2 296.371 -1.102 20 0 CAADLO O=C(NC1(CCO)C[NH+](CCO)C1)[C@H]1CCCC(=O)N1 ZINC001422630042 890606988 /nfs/dbraw/zinc/60/69/88/890606988.db2.gz ZZQVSFZNGKKTPC-SNVBAGLBSA-N 1 2 285.344 -1.800 20 0 CAADLO Cn1c[nH+]cc1CC(=O)NC1(CCO)CN(CC(N)=O)C1 ZINC001422649290 890607772 /nfs/dbraw/zinc/60/77/72/890607772.db2.gz KVMXJFSSZALBCU-UHFFFAOYSA-N 1 2 295.343 -1.999 20 0 CAADLO C[C@H](NC(=O)CCn1ccnn1)C1C[NH+](CC(N)=O)C1 ZINC001422722635 890609965 /nfs/dbraw/zinc/60/99/65/890609965.db2.gz MAZRTMOOPVBNLN-VIFPVBQESA-N 1 2 280.332 -1.410 20 0 CAADLO C[C@@H](NC(=O)CCn1ccnn1)C1C[NH+](CC(N)=O)C1 ZINC001422722634 890610262 /nfs/dbraw/zinc/61/02/62/890610262.db2.gz MAZRTMOOPVBNLN-SECBINFHSA-N 1 2 280.332 -1.410 20 0 CAADLO COCC(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3nnnn3C)C[C@H]21 ZINC001422805330 890612484 /nfs/dbraw/zinc/61/24/84/890612484.db2.gz FPQLQBXZONYJNC-OWUUHHOZSA-N 1 2 280.332 -1.350 20 0 CAADLO COCC(=O)NC[C@@H]1[C@H]2C[N@H+](Cc3nnnn3C)C[C@H]21 ZINC001422805330 890612487 /nfs/dbraw/zinc/61/24/87/890612487.db2.gz FPQLQBXZONYJNC-OWUUHHOZSA-N 1 2 280.332 -1.350 20 0 CAADLO C[C@@H](C[NH2+]Cc1cn(CC(N)=O)nn1)S(C)(=O)=O ZINC001422739777 890613329 /nfs/dbraw/zinc/61/33/29/890613329.db2.gz PVFXNNBZQVNDAP-ZETCQYMHSA-N 1 2 275.334 -1.714 20 0 CAADLO C[C@@H](NC(=O)[C@@H](C)S(C)(=O)=O)C1C[NH+](CCO)C1 ZINC001422744122 890614263 /nfs/dbraw/zinc/61/42/63/890614263.db2.gz VGOKDBVAMDXQCD-RKDXNWHRSA-N 1 2 278.374 -1.152 20 0 CAADLO CCNC(=O)C[NH+]1CC([C@@H](C)NC(=O)CCNC(N)=O)C1 ZINC001422753904 890614577 /nfs/dbraw/zinc/61/45/77/890614577.db2.gz QCNSBPLTCPGACA-SECBINFHSA-N 1 2 299.375 -1.383 20 0 CAADLO CCC[C@@H](NC(N)=O)C(=O)N[C@H](C)C1C[NH+](CC(N)=O)C1 ZINC001422752828 890614635 /nfs/dbraw/zinc/61/46/35/890614635.db2.gz GILLLYPFQGDBTR-PSASIEDQSA-N 1 2 299.375 -1.255 20 0 CAADLO C[C@@H](C[N@H+](C)Cc1cnnn1C)NC(=O)c1nnn(C)n1 ZINC001422870043 890617839 /nfs/dbraw/zinc/61/78/39/890617839.db2.gz ULUPRHYBRPGIJG-QMMMGPOBSA-N 1 2 293.335 -1.411 20 0 CAADLO C[C@@H](C[N@@H+](C)Cc1cnnn1C)NC(=O)c1nnn(C)n1 ZINC001422870043 890617846 /nfs/dbraw/zinc/61/78/46/890617846.db2.gz ULUPRHYBRPGIJG-QMMMGPOBSA-N 1 2 293.335 -1.411 20 0 CAADLO CC(=O)NCC(=O)NC[C@H]1CC[N@H+]1[C@@H](C)C(=O)NC1CC1 ZINC001423052247 890622566 /nfs/dbraw/zinc/62/25/66/890622566.db2.gz UDSNTTQWCALMAV-JOYOIKCWSA-N 1 2 296.371 -1.020 20 0 CAADLO CC(=O)NCC(=O)NC[C@H]1CC[N@@H+]1[C@@H](C)C(=O)NC1CC1 ZINC001423052247 890622572 /nfs/dbraw/zinc/62/25/72/890622572.db2.gz UDSNTTQWCALMAV-JOYOIKCWSA-N 1 2 296.371 -1.020 20 0 CAADLO CC(=O)N(C)CC(=O)NC[C@@H]1CC[N@H+]1[C@@H](C)C(N)=O ZINC001423061974 890622630 /nfs/dbraw/zinc/62/26/30/890622630.db2.gz QBVAQHGNRMWBNK-WPRPVWTQSA-N 1 2 270.333 -1.471 20 0 CAADLO CC(=O)N(C)CC(=O)NC[C@@H]1CC[N@@H+]1[C@@H](C)C(N)=O ZINC001423061974 890622638 /nfs/dbraw/zinc/62/26/38/890622638.db2.gz QBVAQHGNRMWBNK-WPRPVWTQSA-N 1 2 270.333 -1.471 20 0 CAADLO CC(=O)N[C@@H](C)C(=O)NC[C@@H]1CC[N@@H+]1CC(=O)N(C)C ZINC001423050829 890622923 /nfs/dbraw/zinc/62/29/23/890622923.db2.gz ROEHOUSGJNNAFT-ONGXEEELSA-N 1 2 284.360 -1.210 20 0 CAADLO CC(=O)N[C@@H](C)C(=O)NC[C@@H]1CC[N@H+]1CC(=O)N(C)C ZINC001423050829 890622928 /nfs/dbraw/zinc/62/29/28/890622928.db2.gz ROEHOUSGJNNAFT-ONGXEEELSA-N 1 2 284.360 -1.210 20 0 CAADLO CC(=O)NCC(=O)NC[C@@H]1CC[N@H+]1[C@H](C)C(=O)NC1CC1 ZINC001423052251 890623660 /nfs/dbraw/zinc/62/36/60/890623660.db2.gz UDSNTTQWCALMAV-SKDRFNHKSA-N 1 2 296.371 -1.020 20 0 CAADLO CC(=O)NCC(=O)NC[C@@H]1CC[N@@H+]1[C@H](C)C(=O)NC1CC1 ZINC001423052251 890623667 /nfs/dbraw/zinc/62/36/67/890623667.db2.gz UDSNTTQWCALMAV-SKDRFNHKSA-N 1 2 296.371 -1.020 20 0 CAADLO CC(=O)N(C)CC(=O)NC[C@@H]1CC[N@@H+]1[C@@H]1CCN(C)C1=O ZINC001423052881 890624246 /nfs/dbraw/zinc/62/42/46/890624246.db2.gz ARSRPYBYZSFDLU-NWDGAFQWSA-N 1 2 296.371 -1.114 20 0 CAADLO CC(=O)N(C)CC(=O)NC[C@@H]1CC[N@H+]1[C@@H]1CCN(C)C1=O ZINC001423052881 890624250 /nfs/dbraw/zinc/62/42/50/890624250.db2.gz ARSRPYBYZSFDLU-NWDGAFQWSA-N 1 2 296.371 -1.114 20 0 CAADLO CC(=O)N(C)CC(=O)NC[C@H]1CC[N@H+]1[C@@H](C)C(N)=O ZINC001423061969 890624259 /nfs/dbraw/zinc/62/42/59/890624259.db2.gz QBVAQHGNRMWBNK-WCBMZHEXSA-N 1 2 270.333 -1.471 20 0 CAADLO CC(=O)N(C)CC(=O)NC[C@H]1CC[N@@H+]1[C@@H](C)C(N)=O ZINC001423061969 890624262 /nfs/dbraw/zinc/62/42/62/890624262.db2.gz QBVAQHGNRMWBNK-WCBMZHEXSA-N 1 2 270.333 -1.471 20 0 CAADLO CNC(=O)NCCC(=O)NC[C@@H]1CC[N@@H+]1[C@@H](C)C(=O)NC ZINC001423084579 890625967 /nfs/dbraw/zinc/62/59/67/890625967.db2.gz OYQNYYCNVWUKEA-UWVGGRQHSA-N 1 2 299.375 -1.370 20 0 CAADLO CNC(=O)NCCC(=O)NC[C@@H]1CC[N@H+]1[C@@H](C)C(=O)NC ZINC001423084579 890625970 /nfs/dbraw/zinc/62/59/70/890625970.db2.gz OYQNYYCNVWUKEA-UWVGGRQHSA-N 1 2 299.375 -1.370 20 0 CAADLO CN1CC[C@H]([N@@H+]2CC[C@H]2CNC(=O)Cn2ncnn2)C1=O ZINC001423105889 890626541 /nfs/dbraw/zinc/62/65/41/890626541.db2.gz ZMHSLUJIJWZNJY-UWVGGRQHSA-N 1 2 293.331 -1.906 20 0 CAADLO CN1CC[C@H]([N@H+]2CC[C@H]2CNC(=O)Cn2ncnn2)C1=O ZINC001423105889 890626549 /nfs/dbraw/zinc/62/65/49/890626549.db2.gz ZMHSLUJIJWZNJY-UWVGGRQHSA-N 1 2 293.331 -1.906 20 0 CAADLO C[C@H](C(=O)N(C)C)[N@@H+]1CC[C@H]1CNC(=O)Cn1cnnn1 ZINC001423077810 890626739 /nfs/dbraw/zinc/62/67/39/890626739.db2.gz KDWJEAHMDYIXFC-ZJUUUORDSA-N 1 2 295.347 -1.660 20 0 CAADLO C[C@H](C(=O)N(C)C)[N@H+]1CC[C@H]1CNC(=O)Cn1cnnn1 ZINC001423077810 890626749 /nfs/dbraw/zinc/62/67/49/890626749.db2.gz KDWJEAHMDYIXFC-ZJUUUORDSA-N 1 2 295.347 -1.660 20 0 CAADLO CNC(=O)NCCC(=O)NC[C@@H]1CC[N@@H+]1[C@H](C)C(=O)NC ZINC001423084585 890627604 /nfs/dbraw/zinc/62/76/04/890627604.db2.gz OYQNYYCNVWUKEA-ZJUUUORDSA-N 1 2 299.375 -1.370 20 0 CAADLO CNC(=O)NCCC(=O)NC[C@@H]1CC[N@H+]1[C@H](C)C(=O)NC ZINC001423084585 890627610 /nfs/dbraw/zinc/62/76/10/890627610.db2.gz OYQNYYCNVWUKEA-ZJUUUORDSA-N 1 2 299.375 -1.370 20 0 CAADLO CNC(=O)C1([NH2+]Cc2cn(CC(N)=O)nn2)CCCC1 ZINC001423137333 890629700 /nfs/dbraw/zinc/62/97/00/890629700.db2.gz BKFVVDSJOMMZHD-UHFFFAOYSA-N 1 2 280.332 -1.088 20 0 CAADLO O=C(Cn1cncn1)NC[C@@H]1CC[N@@H+]1[C@@H]1CCCNC1=O ZINC001423156223 890630037 /nfs/dbraw/zinc/63/00/37/890630037.db2.gz DJHAWUQVTGSVKC-WDEREUQCSA-N 1 2 292.343 -1.253 20 0 CAADLO O=C(Cn1cncn1)NC[C@@H]1CC[N@H+]1[C@@H]1CCCNC1=O ZINC001423156223 890630044 /nfs/dbraw/zinc/63/00/44/890630044.db2.gz DJHAWUQVTGSVKC-WDEREUQCSA-N 1 2 292.343 -1.253 20 0 CAADLO COCC(=O)NC[C@H](CO)[NH2+][C@@H](C)c1nnnn1C1CC1 ZINC001423180507 890632105 /nfs/dbraw/zinc/63/21/05/890632105.db2.gz FVSAMHUIZOOMRS-DTWKUNHWSA-N 1 2 298.347 -1.218 20 0 CAADLO COCC(=O)NC[C@H](CO)[NH2+][C@H](C)c1nnnn1C1CC1 ZINC001423180514 890632725 /nfs/dbraw/zinc/63/27/25/890632725.db2.gz FVSAMHUIZOOMRS-RKDXNWHRSA-N 1 2 298.347 -1.218 20 0 CAADLO C[C@H](C[NH+]1CCOCC1)N(C)Cc1cn(CC(N)=O)nn1 ZINC001423165966 890632910 /nfs/dbraw/zinc/63/29/10/890632910.db2.gz SFGLLGDJNXOSQU-LLVKDONJSA-N 1 2 296.375 -1.084 20 0 CAADLO CCC(=O)NC[C@H](CO)[NH2+]Cc1cc(=O)n2[nH]ccc2n1 ZINC001423177420 890633023 /nfs/dbraw/zinc/63/30/23/890633023.db2.gz BGAHBMJKKKWWNW-SNVBAGLBSA-N 1 2 293.327 -1.001 20 0 CAADLO COCC(=O)NC[C@@H](CO)[NH2+][C@H](C)c1nnnn1C1CC1 ZINC001423180504 890633083 /nfs/dbraw/zinc/63/30/83/890633083.db2.gz FVSAMHUIZOOMRS-BDAKNGLRSA-N 1 2 298.347 -1.218 20 0 CAADLO CCOCC(=O)NC[C@@H](CO)[NH2+]Cc1nncn1C ZINC001423179812 890633340 /nfs/dbraw/zinc/63/33/40/890633340.db2.gz SWOQQLAEDAJGKV-VIFPVBQESA-N 1 2 271.321 -1.582 20 0 CAADLO Cc1nnc(C[NH2+][C@@H](CO)CNC(=O)Cn2cccn2)[nH]1 ZINC001423184364 890635080 /nfs/dbraw/zinc/63/50/80/890635080.db2.gz YZMHHJRKIKOWAQ-SNVBAGLBSA-N 1 2 293.331 -1.423 20 0 CAADLO NC(=O)CCCC(=O)NC[C@@H]1CC[N@@H+]1[C@@H]1CCNC1=O ZINC001423182705 890635193 /nfs/dbraw/zinc/63/51/93/890635193.db2.gz OJHJXAQNLQYEAZ-VHSXEESVSA-N 1 2 282.344 -1.279 20 0 CAADLO NC(=O)CCCC(=O)NC[C@@H]1CC[N@H+]1[C@@H]1CCNC1=O ZINC001423182705 890635200 /nfs/dbraw/zinc/63/52/00/890635200.db2.gz OJHJXAQNLQYEAZ-VHSXEESVSA-N 1 2 282.344 -1.279 20 0 CAADLO C[C@H]([NH2+][C@@H](CO)CNC(=O)c1cn[nH]c1)c1nnnn1C ZINC001423187421 890635440 /nfs/dbraw/zinc/63/54/40/890635440.db2.gz IDPKCWGPZJCGHB-IONNQARKSA-N 1 2 294.319 -1.625 20 0 CAADLO CCC(=O)NCC(=O)NC[C@@H](CO)[NH2+]Cc1ccon1 ZINC001423188716 890635500 /nfs/dbraw/zinc/63/55/00/890635500.db2.gz HOFYNCKSMLMBIG-JTQLQIEISA-N 1 2 284.316 -1.233 20 0 CAADLO Cn1nnnc1C[NH2+][C@@H](CO)CNC(=O)c1cocn1 ZINC001423189420 890636489 /nfs/dbraw/zinc/63/64/89/890636489.db2.gz KPKBXXRIDVAGRE-SSDOTTSWSA-N 1 2 281.276 -1.921 20 0 CAADLO Cc1ccc(C(=O)NC[C@H](CO)[NH2+]Cc2nnnn2C)o1 ZINC001423199865 890638712 /nfs/dbraw/zinc/63/87/12/890638712.db2.gz UWTUZQNKQXOSEZ-SECBINFHSA-N 1 2 294.315 -1.008 20 0 CAADLO Cn1ncc(C[NH2+][C@H](CO)CNC(=O)C[C@H]2CCOC2)n1 ZINC001423198679 890638758 /nfs/dbraw/zinc/63/87/58/890638758.db2.gz UKUGOFVPRCCAOU-PWSUYJOCSA-N 1 2 297.359 -1.192 20 0 CAADLO CC(=O)N[C@H](C)C(=O)NC[C@@H](CO)[NH2+]Cc1nnnn1C ZINC001423200642 890638810 /nfs/dbraw/zinc/63/88/10/890638810.db2.gz WAODRUILGVUASO-APPZFPTMSA-N 1 2 299.335 -2.699 20 0 CAADLO Cc1conc1C[NH2+][C@H](CO)CNC(=O)Cn1cnnn1 ZINC001423200763 890639800 /nfs/dbraw/zinc/63/98/00/890639800.db2.gz WXYPUPUIGBJISH-VIFPVBQESA-N 1 2 295.303 -1.764 20 0 CAADLO Cn1cnnc1C[NH2+][C@@H](CO)CNC(=O)Cc1cc[nH]n1 ZINC001423198279 890640075 /nfs/dbraw/zinc/64/00/75/890640075.db2.gz RZEHZLXCEYRCGT-SNVBAGLBSA-N 1 2 293.331 -1.652 20 0 CAADLO Cn1ncnc1C[NH2+][C@H](CO)CNC(=O)[C@]12C[C@H]1COC2 ZINC001423210956 890641205 /nfs/dbraw/zinc/64/12/05/890641205.db2.gz LDOMGAXAVKVGHL-KWBADKCTSA-N 1 2 295.343 -1.582 20 0 CAADLO Cc1nnc(C[NH2+]C2(CNC(=O)[C@H]3COC(=O)N3)CC2)[nH]1 ZINC001423209724 890642268 /nfs/dbraw/zinc/64/22/68/890642268.db2.gz KQSLSWGRDSHQKQ-MRVPVSSYSA-N 1 2 294.315 -1.040 20 0 CAADLO Cc1ocnc1C(=O)NC[C@H](CO)[NH2+]Cc1cnn(C)n1 ZINC001423208104 890642666 /nfs/dbraw/zinc/64/26/66/890642666.db2.gz PQSNTADJUOLVJV-SNVBAGLBSA-N 1 2 294.315 -1.008 20 0 CAADLO Cc1nnc(C[NH2+]C2(CNC(=O)[C@@H]3COC(=O)N3)CC2)[nH]1 ZINC001423209780 890642919 /nfs/dbraw/zinc/64/29/19/890642919.db2.gz KQSLSWGRDSHQKQ-QMMMGPOBSA-N 1 2 294.315 -1.040 20 0 CAADLO CC[C@@H](OC)C(=O)NC[C@H](CO)[NH2+]Cc1cn(C)nn1 ZINC001423207410 890643030 /nfs/dbraw/zinc/64/30/30/890643030.db2.gz PCWZJEDAYOGEGU-GHMZBOCLSA-N 1 2 285.348 -1.193 20 0 CAADLO Cn1nnnc1C[NH2+][C@@H](CO)CNC(=O)CC(F)(F)F ZINC001423215684 890644982 /nfs/dbraw/zinc/64/49/82/890644982.db2.gz XAFKHJRWNKJQTE-ZCFIWIBFSA-N 1 2 296.253 -1.271 20 0 CAADLO CO[C@H](C)C(=O)NC[C@H](CO)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001423212966 890645777 /nfs/dbraw/zinc/64/57/77/890645777.db2.gz UZEKQHSSYVUJJP-HTQZYQBOSA-N 1 2 287.320 -2.290 20 0 CAADLO Cn1nnnc1C[NH2+][C@H](CO)CNC(=O)Cc1ccoc1 ZINC001423216968 890646231 /nfs/dbraw/zinc/64/62/31/890646231.db2.gz WXGQRWCTPAJUCB-JTQLQIEISA-N 1 2 294.315 -1.388 20 0 CAADLO O=C(Cn1ncnn1)NC[C@@H](CO)[NH2+]Cc1cscn1 ZINC001423223081 890648264 /nfs/dbraw/zinc/64/82/64/890648264.db2.gz ZVZZRRZUUWEREK-QMMMGPOBSA-N 1 2 297.344 -1.604 20 0 CAADLO Cn1cc(C[NH2+][C@@H](CO)CNC(=O)C2=CCOCC2)nn1 ZINC001423228791 890649037 /nfs/dbraw/zinc/64/90/37/890649037.db2.gz JBZUNUQFHMEEJH-GFCCVEGCSA-N 1 2 295.343 -1.272 20 0 CAADLO COC1CC(C(=O)NC[C@H](CO)[NH2+]Cc2cn(C)nn2)C1 ZINC001423233389 890650552 /nfs/dbraw/zinc/65/05/52/890650552.db2.gz YAYXNFSAJDHSCZ-CKBZRRDASA-N 1 2 297.359 -1.193 20 0 CAADLO Cc1nnc(C[NH2+][C@@H](CO)CNC(=O)c2cncnc2)[nH]1 ZINC001423230363 890650938 /nfs/dbraw/zinc/65/09/38/890650938.db2.gz LLGQPQUUQKBRAN-SNVBAGLBSA-N 1 2 291.315 -1.216 20 0 CAADLO C[C@H](CC(N)=O)C(=O)NC[C@@H](CO)[NH2+]Cc1cn(C)nn1 ZINC001423258716 890654569 /nfs/dbraw/zinc/65/45/69/890654569.db2.gz FUENMYLNSTYOHZ-SCZZXKLOSA-N 1 2 298.347 -2.107 20 0 CAADLO O=C(NCC1([NH2+]Cc2nncs2)CC1)[C@H]1CNC(=O)N1 ZINC001423260044 890654598 /nfs/dbraw/zinc/65/45/98/890654598.db2.gz OKKPPDZUYJIWQQ-SSDOTTSWSA-N 1 2 296.356 -1.042 20 0 CAADLO C[C@@H](CC(N)=O)C(=O)NC[C@@H](CO)[NH2+]Cc1cn(C)nn1 ZINC001423258723 890654726 /nfs/dbraw/zinc/65/47/26/890654726.db2.gz FUENMYLNSTYOHZ-WPRPVWTQSA-N 1 2 298.347 -2.107 20 0 CAADLO O=C(CCc1cnn[nH]1)NCC1([NH2+][C@@H]2CCNC2=O)CC1 ZINC001423273327 890656939 /nfs/dbraw/zinc/65/69/39/890656939.db2.gz XILOWZGQFVTOAE-SNVBAGLBSA-N 1 2 292.343 -1.136 20 0 CAADLO Cn1ncc(C[NH2+][C@@H](CO)CNC(=O)c2n[nH]cc2F)n1 ZINC001423262181 890658288 /nfs/dbraw/zinc/65/82/88/890658288.db2.gz BTDACBRQGFZVRN-MRVPVSSYSA-N 1 2 297.294 -1.442 20 0 CAADLO C[C@@H](CC(N)=O)C(=O)NC[C@H](CO)[NH2+]Cc1cnn(C)n1 ZINC001423273197 890658433 /nfs/dbraw/zinc/65/84/33/890658433.db2.gz YOFPRWXWRBZVHB-WCBMZHEXSA-N 1 2 298.347 -2.107 20 0 CAADLO Cc1conc1C(=O)NC[C@@H](CO)[NH2+]Cc1nnnn1C ZINC001423277673 890659685 /nfs/dbraw/zinc/65/96/85/890659685.db2.gz FKAHPGBJSJFRJF-QMMMGPOBSA-N 1 2 295.303 -1.613 20 0 CAADLO Cc1conc1C(=O)NC[C@H](CO)[NH2+]Cc1nnnn1C ZINC001423277672 890660037 /nfs/dbraw/zinc/66/00/37/890660037.db2.gz FKAHPGBJSJFRJF-MRVPVSSYSA-N 1 2 295.303 -1.613 20 0 CAADLO Cc1conc1C(=O)NC[C@H](CO)[NH2+]Cc1cnn(C)n1 ZINC001423287138 890661136 /nfs/dbraw/zinc/66/11/36/890661136.db2.gz ZLDNOXCELLXXSD-SNVBAGLBSA-N 1 2 294.315 -1.008 20 0 CAADLO Cn1nncc1C[NH2+][C@H](CO)CNC(=O)c1nnc[nH]1 ZINC001423292236 890661552 /nfs/dbraw/zinc/66/15/52/890661552.db2.gz RIAQXHHSTVOULZ-ZETCQYMHSA-N 1 2 280.292 -2.186 20 0 CAADLO Cn1nncc1C[NH2+][C@H](CO)CNC(=O)c1ncn[nH]1 ZINC001423292236 890661556 /nfs/dbraw/zinc/66/15/56/890661556.db2.gz RIAQXHHSTVOULZ-ZETCQYMHSA-N 1 2 280.292 -2.186 20 0 CAADLO Cn1nncc1C[NH2+][C@H](CO)CNC(=O)c1nc[nH]n1 ZINC001423292236 890661560 /nfs/dbraw/zinc/66/15/60/890661560.db2.gz RIAQXHHSTVOULZ-ZETCQYMHSA-N 1 2 280.292 -2.186 20 0 CAADLO Cn1[nH]c(C[NH2+][C@@H](CO)CNC(=O)C(C)(C)C)nc1=O ZINC001423285880 890661607 /nfs/dbraw/zinc/66/16/07/890661607.db2.gz UCYSFJSRBCBOMQ-MRVPVSSYSA-N 1 2 285.348 -1.279 20 0 CAADLO Cn1cncc1C[NH2+][C@H](CO)CNC(=O)Cc1nnc[nH]1 ZINC001423277495 890662162 /nfs/dbraw/zinc/66/21/62/890662162.db2.gz CPZKJYXPBXWPHM-VIFPVBQESA-N 1 2 293.331 -1.652 20 0 CAADLO CC(=O)NCC(=O)N(C)C1C[NH+](CCn2cncn2)C1 ZINC001423363318 890667867 /nfs/dbraw/zinc/66/78/67/890667867.db2.gz BTPYMUIMQWLAIG-UHFFFAOYSA-N 1 2 280.332 -1.443 20 0 CAADLO COCC(=O)N[C@@H]1CCC[N@H+](CC(=O)NC(N)=O)[C@@H]1C ZINC001423355611 890668464 /nfs/dbraw/zinc/66/84/64/890668464.db2.gz HDUKNHUGALOSOQ-RKDXNWHRSA-N 1 2 286.332 -1.203 20 0 CAADLO COCC(=O)N[C@@H]1CCC[N@@H+](CC(=O)NC(N)=O)[C@@H]1C ZINC001423355611 890668469 /nfs/dbraw/zinc/66/84/69/890668469.db2.gz HDUKNHUGALOSOQ-RKDXNWHRSA-N 1 2 286.332 -1.203 20 0 CAADLO COC[C@H](O)C[NH+]1CC(N(C)C(=O)[C@H]2CCCC(=O)N2)C1 ZINC001423405735 890670367 /nfs/dbraw/zinc/67/03/67/890670367.db2.gz OPXQTZCOYRHTLE-VXGBXAGGSA-N 1 2 299.371 -1.195 20 0 CAADLO COCC[NH+]1CC(N(C)C(=O)CCNC(=O)COC)C1 ZINC001423402621 890670778 /nfs/dbraw/zinc/67/07/78/890670778.db2.gz JADVRKZEKCRCKH-UHFFFAOYSA-N 1 2 287.360 -1.072 20 0 CAADLO COCC(=O)N(C)C[C@@H](O)C[N@H+](C)CCS(C)(=O)=O ZINC001423491251 890680303 /nfs/dbraw/zinc/68/03/03/890680303.db2.gz OWDYTUOBEYVTQG-JTQLQIEISA-N 1 2 296.389 -1.572 20 0 CAADLO COCC(=O)N(C)C[C@@H](O)C[N@@H+](C)CCS(C)(=O)=O ZINC001423491251 890680308 /nfs/dbraw/zinc/68/03/08/890680308.db2.gz OWDYTUOBEYVTQG-JTQLQIEISA-N 1 2 296.389 -1.572 20 0 CAADLO COCC(=O)N(C)C[C@H](O)C[N@H+](C)CCS(C)(=O)=O ZINC001423491256 890681456 /nfs/dbraw/zinc/68/14/56/890681456.db2.gz OWDYTUOBEYVTQG-SNVBAGLBSA-N 1 2 296.389 -1.572 20 0 CAADLO COCC(=O)N(C)C[C@H](O)C[N@@H+](C)CCS(C)(=O)=O ZINC001423491256 890681468 /nfs/dbraw/zinc/68/14/68/890681468.db2.gz OWDYTUOBEYVTQG-SNVBAGLBSA-N 1 2 296.389 -1.572 20 0 CAADLO CN(C[C@@H](O)C[N@H+](C)CC(N)=O)C(=O)Cc1ccn[nH]1 ZINC001423499569 890681856 /nfs/dbraw/zinc/68/18/56/890681856.db2.gz AVOQITNWPVJTSS-JTQLQIEISA-N 1 2 283.332 -1.811 20 0 CAADLO CN(C[C@@H](O)C[N@@H+](C)CC(N)=O)C(=O)Cc1ccn[nH]1 ZINC001423499569 890681861 /nfs/dbraw/zinc/68/18/61/890681861.db2.gz AVOQITNWPVJTSS-JTQLQIEISA-N 1 2 283.332 -1.811 20 0 CAADLO C[C@]1(NC(=O)Cc2nnc[nH]2)CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001423582961 890686599 /nfs/dbraw/zinc/68/65/99/890686599.db2.gz IVLSABNPABOOCU-ZANVPECISA-N 1 2 292.343 -1.184 20 0 CAADLO C[C@]1(NC(=O)Cc2nnc[nH]2)CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001423582961 890686604 /nfs/dbraw/zinc/68/66/04/890686604.db2.gz IVLSABNPABOOCU-ZANVPECISA-N 1 2 292.343 -1.184 20 0 CAADLO COCC[N@H+](CCNC(=O)c1cc(C)ncn1)CC(N)=O ZINC001423633989 890688287 /nfs/dbraw/zinc/68/82/87/890688287.db2.gz ZFJQDDYPWSEQES-UHFFFAOYSA-N 1 2 295.343 -1.051 20 0 CAADLO COCC[N@@H+](CCNC(=O)c1cc(C)ncn1)CC(N)=O ZINC001423633989 890688296 /nfs/dbraw/zinc/68/82/96/890688296.db2.gz ZFJQDDYPWSEQES-UHFFFAOYSA-N 1 2 295.343 -1.051 20 0 CAADLO COCC[N@H+](CCNC(=O)c1nccnc1N)CC(N)=O ZINC001423624203 890688754 /nfs/dbraw/zinc/68/87/54/890688754.db2.gz CNXCYDWPSKPOSJ-UHFFFAOYSA-N 1 2 296.331 -1.778 20 0 CAADLO COCC[N@@H+](CCNC(=O)c1nccnc1N)CC(N)=O ZINC001423624203 890688765 /nfs/dbraw/zinc/68/87/65/890688765.db2.gz CNXCYDWPSKPOSJ-UHFFFAOYSA-N 1 2 296.331 -1.778 20 0 CAADLO COCC[N@H+](CCNC(=O)[C@H]1C[C@]12CCOC2)CC(N)=O ZINC001423643583 890688822 /nfs/dbraw/zinc/68/88/22/890688822.db2.gz UCEVAPJKMVQJBZ-RISCZKNCSA-N 1 2 299.371 -1.037 20 0 CAADLO COCC[N@@H+](CCNC(=O)[C@H]1C[C@]12CCOC2)CC(N)=O ZINC001423643583 890688826 /nfs/dbraw/zinc/68/88/26/890688826.db2.gz UCEVAPJKMVQJBZ-RISCZKNCSA-N 1 2 299.371 -1.037 20 0 CAADLO COCC[N@@H+](CCNC(=O)[C@]12C[C@H]1COC2)[C@@H](C)C(N)=O ZINC001423624388 890689886 /nfs/dbraw/zinc/68/98/86/890689886.db2.gz CTLXNDCXAWLUEK-MJVIPROJSA-N 1 2 299.371 -1.039 20 0 CAADLO Cn1[nH]c(C[N@@H+]2CC[C@](O)(CNC(=O)C3CC3)C2)nc1=O ZINC001423737490 890689833 /nfs/dbraw/zinc/68/98/33/890689833.db2.gz JRNWDQJZXIHJCA-ZDUSSCGKSA-N 1 2 295.343 -1.429 20 0 CAADLO Cn1[nH]c(C[N@H+]2CC[C@](O)(CNC(=O)C3CC3)C2)nc1=O ZINC001423737490 890689845 /nfs/dbraw/zinc/68/98/45/890689845.db2.gz JRNWDQJZXIHJCA-ZDUSSCGKSA-N 1 2 295.343 -1.429 20 0 CAADLO COCC[N@H+](CCNC(=O)[C@]12C[C@H]1COC2)[C@@H](C)C(N)=O ZINC001423624388 890689881 /nfs/dbraw/zinc/68/98/81/890689881.db2.gz CTLXNDCXAWLUEK-MJVIPROJSA-N 1 2 299.371 -1.039 20 0 CAADLO COC[C@H](O)C[NH+]1CC(O)(CNC(=O)CNC(C)=O)C1 ZINC001423798957 890696700 /nfs/dbraw/zinc/69/67/00/890696700.db2.gz RCXOPACHBKLEBC-SNVBAGLBSA-N 1 2 289.332 -2.707 20 0 CAADLO C[C@H](O)C[NH+]1CC(O)(CNC(=O)CCn2cccn2)C1 ZINC001423805535 890701719 /nfs/dbraw/zinc/70/17/19/890701719.db2.gz GGQJXLFDHMXJBH-NSHDSACASA-N 1 2 282.344 -1.183 20 0 CAADLO CCOCC(=O)NCC1(O)C[NH+](C[C@H](O)COC)C1 ZINC001423805003 890701876 /nfs/dbraw/zinc/70/18/76/890701876.db2.gz NOPJNBZZGZZIFO-JTQLQIEISA-N 1 2 276.333 -1.807 20 0 CAADLO CO[C@@H](C)C[NH+]1CC(O)(CNC(=O)[C@H]2CCCC(=O)N2)C1 ZINC001423834124 890703188 /nfs/dbraw/zinc/70/31/88/890703188.db2.gz RDXGDFPYSPZUKB-WDEREUQCSA-N 1 2 299.371 -1.147 20 0 CAADLO COC[C@@H](C)[NH+]1CC(O)(CNC(=O)C2CN(C(C)=O)C2)C1 ZINC001423838338 890703915 /nfs/dbraw/zinc/70/39/15/890703915.db2.gz VHFULAOHIWVIKA-SNVBAGLBSA-N 1 2 299.371 -1.338 20 0 CAADLO CO[C@@H](C)C[NH+]1CC(O)(CNC(=O)[C@H]2CCC(=O)N2)C1 ZINC001423827867 890704334 /nfs/dbraw/zinc/70/43/34/890704334.db2.gz KTJVBDORBXMNCY-VHSXEESVSA-N 1 2 285.344 -1.537 20 0 CAADLO COC[C@H](C)[NH+]1CC(O)(CNC(=O)c2ncn(C)n2)C1 ZINC001423826791 890704479 /nfs/dbraw/zinc/70/44/79/890704479.db2.gz PSQPKCQLNGTPDY-VIFPVBQESA-N 1 2 283.332 -1.374 20 0 CAADLO COC[C@@H](C)[NH+]1CC(O)(CNC(=O)[C@H]2CCCC(=O)N2)C1 ZINC001423831222 890704809 /nfs/dbraw/zinc/70/48/09/890704809.db2.gz FFOFXAJPQSXILH-GHMZBOCLSA-N 1 2 299.371 -1.147 20 0 CAADLO CC[NH+]1CC(O)(CNC(=O)CNC(=O)c2ccncc2)C1 ZINC001423825520 890705005 /nfs/dbraw/zinc/70/50/05/890705005.db2.gz NHMYVZSPXGIIBV-UHFFFAOYSA-N 1 2 292.339 -1.006 20 0 CAADLO CO[C@H](C)C[NH+]1CC(O)(CNC(=O)c2c[nH]c(=O)n2C)C1 ZINC001423858033 890707227 /nfs/dbraw/zinc/70/72/27/890707227.db2.gz HUNVLVJLNHZBKI-SECBINFHSA-N 1 2 298.343 -1.063 20 0 CAADLO C[C@@H](O)C[NH+]1CC(O)(CNC(=O)CCc2nccn2C)C1 ZINC001423869300 890707614 /nfs/dbraw/zinc/70/76/14/890707614.db2.gz NFHZMYNJKZTZRX-LLVKDONJSA-N 1 2 296.371 -1.104 20 0 CAADLO CO[C@@H](C)C[NH+]1CC(O)(CNC(=O)c2c[nH]c(=O)n2C)C1 ZINC001423858035 890708326 /nfs/dbraw/zinc/70/83/26/890708326.db2.gz HUNVLVJLNHZBKI-VIFPVBQESA-N 1 2 298.343 -1.063 20 0 CAADLO CC[C@H](C[NH+]1CC(O)(CNC(=O)Cn2cncn2)C1)OC ZINC001423904430 890710371 /nfs/dbraw/zinc/71/03/71/890710371.db2.gz LHPYTWYASYQKDT-LLVKDONJSA-N 1 2 297.359 -1.134 20 0 CAADLO CCn1cc(C(=O)NCC2(O)C[NH+](C[C@@H](C)O)C2)nn1 ZINC001423888969 890710503 /nfs/dbraw/zinc/71/05/03/890710503.db2.gz FISDNQLGVYXKAM-SECBINFHSA-N 1 2 283.332 -1.545 20 0 CAADLO O=C(NCC1(O)C[NH+](CCCF)C1)[C@@H]1CCC(=O)N1 ZINC001423905487 890710624 /nfs/dbraw/zinc/71/06/24/890710624.db2.gz LLDJTUUWDKUTBD-VIFPVBQESA-N 1 2 273.308 -1.213 20 0 CAADLO CC[C@H](NC(C)=O)C(=O)NCC1(O)C[NH+](CCCO)C1 ZINC001423877301 890710755 /nfs/dbraw/zinc/71/07/55/890710755.db2.gz JMYBCVVJSWJRIZ-NSHDSACASA-N 1 2 287.360 -1.554 20 0 CAADLO Cc1nccc(C(=O)NCC2(O)C[NH+](CCCO)C2)n1 ZINC001423906470 890710861 /nfs/dbraw/zinc/71/08/61/890710861.db2.gz MPVOHLOKTZNDBY-UHFFFAOYSA-N 1 2 280.328 -1.056 20 0 CAADLO O=C(Cc1nnc[nH]1)NCC1(O)C[NH+](C[C@@H]2CCOC2)C1 ZINC001423885135 890711070 /nfs/dbraw/zinc/71/10/70/890711070.db2.gz DVFVDZTWGYNQLU-JTQLQIEISA-N 1 2 295.343 -1.453 20 0 CAADLO CC[C@@H](C[NH+]1CC(O)(CNC(=O)Cn2cncn2)C1)OC ZINC001423904433 890711606 /nfs/dbraw/zinc/71/16/06/890711606.db2.gz LHPYTWYASYQKDT-NSHDSACASA-N 1 2 297.359 -1.134 20 0 CAADLO COCC[NH+]1CC(O)(CNC(=O)c2cccc(=O)n2C)C1 ZINC001423880201 890712793 /nfs/dbraw/zinc/71/27/93/890712793.db2.gz DPVFVCVNMPSJPC-UHFFFAOYSA-N 1 2 295.339 -1.192 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@@](CO)(NC(=O)[C@]23C[C@H]2COC3)C1 ZINC001424016666 890714166 /nfs/dbraw/zinc/71/41/66/890714166.db2.gz FRGIXNQGHIXWHL-GDLCADMTSA-N 1 2 297.355 -1.549 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@@](CO)(NC(=O)[C@]23C[C@H]2COC3)C1 ZINC001424016666 890714180 /nfs/dbraw/zinc/71/41/80/890714180.db2.gz FRGIXNQGHIXWHL-GDLCADMTSA-N 1 2 297.355 -1.549 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@](CO)(NC(=O)CC2(O)CCC2)C1 ZINC001424025013 890715214 /nfs/dbraw/zinc/71/52/14/890715214.db2.gz UQGLZDUZYMLTMQ-ZDUSSCGKSA-N 1 2 299.371 -1.280 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@](CO)(NC(=O)CC2(O)CCC2)C1 ZINC001424025013 890715223 /nfs/dbraw/zinc/71/52/23/890715223.db2.gz UQGLZDUZYMLTMQ-ZDUSSCGKSA-N 1 2 299.371 -1.280 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@](CO)(NC(=O)[C@]23C[C@H]2COC3)C1 ZINC001424016664 890715381 /nfs/dbraw/zinc/71/53/81/890715381.db2.gz FRGIXNQGHIXWHL-BPNCWPANSA-N 1 2 297.355 -1.549 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@](CO)(NC(=O)[C@]23C[C@H]2COC3)C1 ZINC001424016664 890715387 /nfs/dbraw/zinc/71/53/87/890715387.db2.gz FRGIXNQGHIXWHL-BPNCWPANSA-N 1 2 297.355 -1.549 20 0 CAADLO CNC(=O)C[N@@H+]1CCC[C@@](CO)(NC(=O)c2cn[nH]c2)C1 ZINC001424001894 890715528 /nfs/dbraw/zinc/71/55/28/890715528.db2.gz LQEBSBFFYHYFLR-CYBMUJFWSA-N 1 2 295.343 -1.288 20 0 CAADLO CNC(=O)C[N@H+]1CCC[C@@](CO)(NC(=O)c2cn[nH]c2)C1 ZINC001424001894 890715535 /nfs/dbraw/zinc/71/55/35/890715535.db2.gz LQEBSBFFYHYFLR-CYBMUJFWSA-N 1 2 295.343 -1.288 20 0 CAADLO CC(=O)N(C)CC(=O)NC[C@@H]1COCC[N@@H+]1CCCO ZINC001424095717 890719034 /nfs/dbraw/zinc/71/90/34/890719034.db2.gz AGQRJKNODUDGFV-GFCCVEGCSA-N 1 2 287.360 -1.336 20 0 CAADLO CC(=O)N(C)CC(=O)NC[C@@H]1COCC[N@H+]1CCCO ZINC001424095717 890719044 /nfs/dbraw/zinc/71/90/44/890719044.db2.gz AGQRJKNODUDGFV-GFCCVEGCSA-N 1 2 287.360 -1.336 20 0 CAADLO CNC(=O)CN1CCOC[C@@H]1CNC(=O)Cc1[nH]cc[nH+]1 ZINC001424120126 890719467 /nfs/dbraw/zinc/71/94/67/890719467.db2.gz BPVONZZFGFTSDS-JTQLQIEISA-N 1 2 295.343 -1.485 20 0 CAADLO CC(CO)(CO)CNS(=O)(=O)CCn1cc[nH+]c1 ZINC001424114652 890719710 /nfs/dbraw/zinc/71/97/10/890719710.db2.gz PAFBKMLCCMIVPK-UHFFFAOYSA-N 1 2 277.346 -1.207 20 0 CAADLO CNC(=O)CN1CCOC[C@H]1CNC(=O)Cc1[nH]cc[nH+]1 ZINC001424120139 890720029 /nfs/dbraw/zinc/72/00/29/890720029.db2.gz BPVONZZFGFTSDS-SNVBAGLBSA-N 1 2 295.343 -1.485 20 0 CAADLO CCC[N@@H+]1CCOC[C@@H]1CNC(=O)CN1CCNC(=O)C1 ZINC001424116705 890720068 /nfs/dbraw/zinc/72/00/68/890720068.db2.gz GJQWAHLGWIAWJW-LBPRGKRZSA-N 1 2 298.387 -1.355 20 0 CAADLO CCC[N@H+]1CCOC[C@@H]1CNC(=O)CN1CCNC(=O)C1 ZINC001424116705 890720081 /nfs/dbraw/zinc/72/00/81/890720081.db2.gz GJQWAHLGWIAWJW-LBPRGKRZSA-N 1 2 298.387 -1.355 20 0 CAADLO NC(=O)C[NH2+]C[C@H]1CCCCN1C(=O)Cc1ncn[nH]1 ZINC001424139600 890723541 /nfs/dbraw/zinc/72/35/41/890723541.db2.gz ATOFUWZRONEVJC-SECBINFHSA-N 1 2 280.332 -1.197 20 0 CAADLO CC(C)NC(=O)[C@H](C)NS(=O)(=O)N1CC[NH+](C)CC1 ZINC001424222281 890724464 /nfs/dbraw/zinc/72/44/64/890724464.db2.gz COLICGRJRHQXQV-JTQLQIEISA-N 1 2 292.405 -1.019 20 0 CAADLO NC(=O)[C@]1(NS(=O)(=O)CCn2cc[nH+]c2)CCOC1 ZINC001424299283 890725726 /nfs/dbraw/zinc/72/57/26/890725726.db2.gz RBWWXKUOYIFONM-JTQLQIEISA-N 1 2 288.329 -1.553 20 0 CAADLO C[C@H](CC(N)=O)C(=O)N[C@@H]1COC2(C[NH+](CCCO)C2)C1 ZINC001424369147 890730571 /nfs/dbraw/zinc/73/05/71/890730571.db2.gz QOEKVBNZKVLEBV-MNOVXSKESA-N 1 2 299.371 -1.160 20 0 CAADLO CC(=O)NCC(=O)N[C@H]1COC2(C[NH+](CCCO)C2)C1 ZINC001424365269 890731047 /nfs/dbraw/zinc/73/10/47/890731047.db2.gz NWJAKVRUYWGDHI-LLVKDONJSA-N 1 2 285.344 -1.536 20 0 CAADLO COCC(=O)N1CCC[C@@](CO)([NH2+]Cc2ncnn2C)C1 ZINC001424387380 890731213 /nfs/dbraw/zinc/73/12/13/890731213.db2.gz YANXYTUDNREHLO-CYBMUJFWSA-N 1 2 297.359 -1.095 20 0 CAADLO Cn1nnc(C(=O)NC2(CO)CC[NH+](CC(N)=O)CC2)n1 ZINC001424656549 890739032 /nfs/dbraw/zinc/73/90/32/890739032.db2.gz ZUBPQIZVLLACDP-UHFFFAOYSA-N 1 2 297.319 -2.748 20 0 CAADLO COC[C@H](C)C(=O)NC1(CO)CC[NH+](CC(N)=O)CC1 ZINC001424636482 890740344 /nfs/dbraw/zinc/74/03/44/890740344.db2.gz KAEYFDUQQZLRTD-JTQLQIEISA-N 1 2 287.360 -1.303 20 0 CAADLO CCC(=O)NCC(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc1nnn(C)n1 ZINC001424746932 890741188 /nfs/dbraw/zinc/74/11/88/890741188.db2.gz FDAMWFWEXNPQRB-BDAKNGLRSA-N 1 2 297.363 -1.281 20 0 CAADLO NC(=O)C[NH+]1CCC(CO)(NC(=O)CC2(O)CCC2)CC1 ZINC001424637130 890741317 /nfs/dbraw/zinc/74/13/17/890741317.db2.gz JVKBXZMZPFLCIL-UHFFFAOYSA-N 1 2 299.371 -1.280 20 0 CAADLO NC(=O)C[NH+]1CCC(CO)(NC(=O)c2csnn2)CC1 ZINC001424641435 890741938 /nfs/dbraw/zinc/74/19/38/890741938.db2.gz FQLYVABXPPTDSU-UHFFFAOYSA-N 1 2 299.356 -1.420 20 0 CAADLO C[C@H](NC(=O)c1cnon1)[C@H](C)[NH2+]Cc1nnn(C)n1 ZINC001424839949 890742541 /nfs/dbraw/zinc/74/25/41/890742541.db2.gz SIZULDJMRVKGJU-BQBZGAKWSA-N 1 2 280.292 -1.110 20 0 CAADLO C[C@@H](NC(=O)c1cn[nH]n1)[C@@H](C)[NH2+]Cc1nnnn1C ZINC001424795310 890743334 /nfs/dbraw/zinc/74/33/34/890743334.db2.gz VHOMDKATADDBQP-RNFRBKRXSA-N 1 2 279.308 -1.375 20 0 CAADLO C[C@@H](NC(=O)c1cnn[nH]1)[C@@H](C)[NH2+]Cc1nnnn1C ZINC001424795310 890743346 /nfs/dbraw/zinc/74/33/46/890743346.db2.gz VHOMDKATADDBQP-RNFRBKRXSA-N 1 2 279.308 -1.375 20 0 CAADLO C[C@@H](NC(=O)c1cnon1)[C@@H](C)[NH2+]Cc1nnn(C)n1 ZINC001424839957 890743978 /nfs/dbraw/zinc/74/39/78/890743978.db2.gz SIZULDJMRVKGJU-RNFRBKRXSA-N 1 2 280.292 -1.110 20 0 CAADLO C[C@@H](NC(=O)c1cn(C)nn1)[C@@H](C)[NH2+]Cc1nnn(C)n1 ZINC001424767165 890745329 /nfs/dbraw/zinc/74/53/29/890745329.db2.gz WENLEMNYWQQYQV-HTQZYQBOSA-N 1 2 293.335 -1.365 20 0 CAADLO COCC[NH+]1CC(CCO)(NC(=O)[C@@H](C)NC(C)=O)C1 ZINC001425080183 890751418 /nfs/dbraw/zinc/75/14/18/890751418.db2.gz PLGFVAOXHGBGSF-SNVBAGLBSA-N 1 2 287.360 -1.290 20 0 CAADLO C[C@@H](CNC(=O)c1cnon1)[N@H+](C)Cc1nc(=O)n(C)[nH]1 ZINC001425040458 890753498 /nfs/dbraw/zinc/75/34/98/890753498.db2.gz PVISKHIFFGYVAO-ZETCQYMHSA-N 1 2 295.303 -1.258 20 0 CAADLO C[C@@H](CNC(=O)c1cnon1)[N@@H+](C)Cc1nc(=O)n(C)[nH]1 ZINC001425040458 890753511 /nfs/dbraw/zinc/75/35/11/890753511.db2.gz PVISKHIFFGYVAO-ZETCQYMHSA-N 1 2 295.303 -1.258 20 0 CAADLO COC(=O)[C@H]1C[C@H]1C(=O)NC1(CCO)C[NH+](CCO)C1 ZINC001425094562 890754283 /nfs/dbraw/zinc/75/42/83/890754283.db2.gz YGGPROIMDJCKMM-ZJUUUORDSA-N 1 2 286.328 -1.659 20 0 CAADLO C[C@H](NC(=O)CO[C@H]1CCOC1)C1C[NH+](CC(N)=O)C1 ZINC001425217229 890754315 /nfs/dbraw/zinc/75/43/15/890754315.db2.gz CVMOQARZYVSAMR-ONGXEEELSA-N 1 2 285.344 -1.286 20 0 CAADLO C[C@@H]1C[C@H](C(=O)NC2(CCO)C[NH+](CCO)C2)CO1 ZINC001425120540 890754808 /nfs/dbraw/zinc/75/48/08/890754808.db2.gz RHUPLYAAIZXHAF-MNOVXSKESA-N 1 2 272.345 -1.043 20 0 CAADLO C[C@H]1C[C@H](C(=O)NC2(CCO)C[NH+](CCO)C2)CO1 ZINC001425120548 890755035 /nfs/dbraw/zinc/75/50/35/890755035.db2.gz RHUPLYAAIZXHAF-QWRGUYRKSA-N 1 2 272.345 -1.043 20 0 CAADLO CC[NH+]1CC(CCO)(NC(=O)c2ccc(=O)n(C)n2)C1 ZINC001425139240 890755089 /nfs/dbraw/zinc/75/50/89/890755089.db2.gz HJZUYQULBKKQSG-UHFFFAOYSA-N 1 2 280.328 -1.033 20 0 CAADLO O=C(NC1(CCO)C[NH+](CCCO)C1)[C@@H]1CCNC(=O)C1 ZINC001425098171 890755120 /nfs/dbraw/zinc/75/51/20/890755120.db2.gz KYFPZBZGBFHRES-LLVKDONJSA-N 1 2 299.371 -1.552 20 0 CAADLO C[C@H](NC(N)=O)C(=O)NC1(CCO)C[NH+](CCCF)C1 ZINC001425112978 890755174 /nfs/dbraw/zinc/75/51/74/890755174.db2.gz QQFVDDIZGMTMFE-VIFPVBQESA-N 1 2 290.339 -1.044 20 0 CAADLO COC(=O)[C@@H]1C[C@@H]1C(=O)NC1(CCO)C[NH+](CCO)C1 ZINC001425094560 890755239 /nfs/dbraw/zinc/75/52/39/890755239.db2.gz YGGPROIMDJCKMM-VHSXEESVSA-N 1 2 286.328 -1.659 20 0 CAADLO C[C@H](NC(=O)c1cocn1)C1C[NH+](CC(=O)NC(N)=O)C1 ZINC001425211318 890755590 /nfs/dbraw/zinc/75/55/90/890755590.db2.gz MTVNYXSBWROPJX-ZETCQYMHSA-N 1 2 295.299 -1.080 20 0 CAADLO CC[NH+]1CC(CCO)(NC(=O)CNS(=O)(=O)CC)C1 ZINC001425104616 890755783 /nfs/dbraw/zinc/75/57/83/890755783.db2.gz ONSKIPSQSZQBAT-UHFFFAOYSA-N 1 2 293.389 -1.501 20 0 CAADLO COC(=O)[C@H]1C[C@@H]1C(=O)NC1(CCO)C[NH+](CCO)C1 ZINC001425094558 890756400 /nfs/dbraw/zinc/75/64/00/890756400.db2.gz YGGPROIMDJCKMM-UWVGGRQHSA-N 1 2 286.328 -1.659 20 0 CAADLO O=C(NC1(CCO)C[NH+](CCCO)C1)[C@@H]1CCOC1 ZINC001425094917 890756651 /nfs/dbraw/zinc/75/66/51/890756651.db2.gz ZUWYZEXCIXLYFZ-LLVKDONJSA-N 1 2 272.345 -1.042 20 0 CAADLO C[C@@H](O)C[NH+]1CC(CCO)(NC(=O)[C@H]2CCNC(=O)C2)C1 ZINC001425098961 890756683 /nfs/dbraw/zinc/75/66/83/890756683.db2.gz LZSNPQNMENNIDN-MNOVXSKESA-N 1 2 299.371 -1.554 20 0 CAADLO C[C@H](NC(=O)Cc1cncn1C)C1C[NH+](CC(N)=O)C1 ZINC001425260672 890757753 /nfs/dbraw/zinc/75/77/53/890757753.db2.gz AYTJZYCKYHPTAP-VIFPVBQESA-N 1 2 279.344 -1.116 20 0 CAADLO C[C@@H](NC(=O)CCCn1cncn1)C1C[NH+](CC(N)=O)C1 ZINC001425242660 890758782 /nfs/dbraw/zinc/75/87/82/890758782.db2.gz DIAGDVNGXXEZKM-SNVBAGLBSA-N 1 2 294.359 -1.020 20 0 CAADLO Cn1c[nH+]cc1CC(=O)N[C@H](CO)CNC(=O)C1CC1 ZINC001425245948 890759525 /nfs/dbraw/zinc/75/95/25/890759525.db2.gz IUQQQJGLTLQWBE-JTQLQIEISA-N 1 2 280.328 -1.034 20 0 CAADLO COCC(=O)NC[C@@H](CO)NC(=O)CCc1c[nH]c[nH+]1 ZINC001425271760 890761031 /nfs/dbraw/zinc/76/10/31/890761031.db2.gz AHJTWPJOQOINEQ-JTQLQIEISA-N 1 2 284.316 -1.418 20 0 CAADLO COCC(=O)NC[C@@H](CO)NC(=O)CCc1c[nH+]c[nH]1 ZINC001425271760 890761042 /nfs/dbraw/zinc/76/10/42/890761042.db2.gz AHJTWPJOQOINEQ-JTQLQIEISA-N 1 2 284.316 -1.418 20 0 CAADLO C[C@@H](NC(=O)CCCC(N)=O)C1C[NH+](CC(N)=O)C1 ZINC001425267303 890761720 /nfs/dbraw/zinc/76/17/20/890761720.db2.gz YPKNTGJPLIUSPS-MRVPVSSYSA-N 1 2 270.333 -1.436 20 0 CAADLO COCC(=O)NC[C@@H](CO)NC(=O)CCc1c[nH+]cn1C ZINC001425278849 890763108 /nfs/dbraw/zinc/76/31/08/890763108.db2.gz QFKNSVDGOGHJQE-JTQLQIEISA-N 1 2 298.343 -1.408 20 0 CAADLO CCO[C@@H](C)C(=O)NC[C@@H](CO)NC(=O)Cc1[nH]cc[nH+]1 ZINC001425293453 890764466 /nfs/dbraw/zinc/76/44/66/890764466.db2.gz XASPCKOROWWQQF-UWVGGRQHSA-N 1 2 298.343 -1.030 20 0 CAADLO O=C(Cc1[nH]cc[nH+]1)N[C@H](CO)CNC(=O)c1cn[nH]c1 ZINC001425298688 890764661 /nfs/dbraw/zinc/76/46/61/890764661.db2.gz FJHNDLYLCXBNBB-VIFPVBQESA-N 1 2 292.299 -1.418 20 0 CAADLO O=C(Cn1cc[nH+]c1)N[C@@H](CO)CNC(=O)c1ccon1 ZINC001425297145 890765314 /nfs/dbraw/zinc/76/53/14/890765314.db2.gz JRIRXUIMNMGFIM-SECBINFHSA-N 1 2 293.283 -1.222 20 0 CAADLO CCO[C@H](C)C(=O)NC[C@H](CO)NC(=O)Cc1[nH]cc[nH+]1 ZINC001425293451 890766048 /nfs/dbraw/zinc/76/60/48/890766048.db2.gz XASPCKOROWWQQF-NXEZZACHSA-N 1 2 298.343 -1.030 20 0 CAADLO CO[C@@H](C)C(=O)NC[C@@H](CO)NC(=O)Cc1c[nH]c[nH+]1 ZINC001425321943 890766975 /nfs/dbraw/zinc/76/69/75/890766975.db2.gz SOFDCGJJYJNWKK-WPRPVWTQSA-N 1 2 284.316 -1.420 20 0 CAADLO CO[C@H](C)C(=O)NC[C@@H](CO)NC(=O)Cc1c[nH]c[nH+]1 ZINC001425321935 890768709 /nfs/dbraw/zinc/76/87/09/890768709.db2.gz SOFDCGJJYJNWKK-SCZZXKLOSA-N 1 2 284.316 -1.420 20 0 CAADLO CO[C@H](C)C(=O)NC[C@H](CO)NC(=O)Cc1[nH]c[nH+]c1C ZINC001425312505 890769351 /nfs/dbraw/zinc/76/93/51/890769351.db2.gz IRLWLDFDLNXNTM-NXEZZACHSA-N 1 2 298.343 -1.111 20 0 CAADLO O=C(Cc1[nH]cc[nH+]1)N[C@H](CO)CNC(=O)c1cocn1 ZINC001425332083 890772247 /nfs/dbraw/zinc/77/22/47/890772247.db2.gz JRFXKUSWRCJUDO-QMMMGPOBSA-N 1 2 293.283 -1.153 20 0 CAADLO CCOCC(=O)N[C@@H](CO)CNC(=O)Cc1[nH]c[nH+]c1C ZINC001425451424 890778733 /nfs/dbraw/zinc/77/87/33/890778733.db2.gz GWOYCFJXNHZMEV-SNVBAGLBSA-N 1 2 298.343 -1.110 20 0 CAADLO CCOCC(=O)N[C@H](CO)CNC(=O)Cc1[nH]c[nH+]c1C ZINC001425451419 890780440 /nfs/dbraw/zinc/78/04/40/890780440.db2.gz GWOYCFJXNHZMEV-JTQLQIEISA-N 1 2 298.343 -1.110 20 0 CAADLO C[C@@H](CNC(=O)N=c1nc[nH]n1C)[NH+]1CCN(C)CC1 ZINC001425448567 890781246 /nfs/dbraw/zinc/78/12/46/890781246.db2.gz BHDSXYBOOSVLGQ-JTQLQIEISA-N 1 2 281.364 -1.006 20 0 CAADLO O=C(Cn1cc[nH+]c1)N[C@H](CO)CNC(=O)c1cnon1 ZINC001425482889 890782613 /nfs/dbraw/zinc/78/26/13/890782613.db2.gz GSEYJJUAVXIVNF-QMMMGPOBSA-N 1 2 294.271 -1.827 20 0 CAADLO O=C(Cc1c[nH]c[nH+]1)NC[C@H](CO)NC(=O)c1cnco1 ZINC001425533280 890787189 /nfs/dbraw/zinc/78/71/89/890787189.db2.gz KKAJSXGNEJXTBY-SECBINFHSA-N 1 2 293.283 -1.153 20 0 CAADLO COCC(=O)N(C)C[C@H](C)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001425507062 890787210 /nfs/dbraw/zinc/78/72/10/890787210.db2.gz ISIBCNKVUGXNLG-QMMMGPOBSA-N 1 2 271.321 -1.309 20 0 CAADLO CN(C(=O)Cc1ncn[nH]1)[C@@H](C[NH2+]CC(N)=O)C1CC1 ZINC001425518643 890787436 /nfs/dbraw/zinc/78/74/36/890787436.db2.gz FPFDMEQMBURDKH-VIFPVBQESA-N 1 2 280.332 -1.341 20 0 CAADLO COCC(=O)N(C)C[C@@H](C)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001425507057 890787870 /nfs/dbraw/zinc/78/78/70/890787870.db2.gz ISIBCNKVUGXNLG-MRVPVSSYSA-N 1 2 271.321 -1.309 20 0 CAADLO CC(=O)NCC(=O)NC[C@@H](CO)[NH2+]Cc1nc(C)oc1C ZINC001425693163 890790983 /nfs/dbraw/zinc/79/09/83/890790983.db2.gz GHMUJJIIYRRROA-NSHDSACASA-N 1 2 298.343 -1.006 20 0 CAADLO Cn1cc(C[NH2+][C@H](CO)CNC(=O)c2cocn2)nn1 ZINC001425706199 890794721 /nfs/dbraw/zinc/79/47/21/890794721.db2.gz BSMUJUVPVFOAPB-VIFPVBQESA-N 1 2 280.288 -1.316 20 0 CAADLO Cn1cc(C[NH2+][C@H](CO)CNC(=O)c2ccon2)nn1 ZINC001425709785 890794824 /nfs/dbraw/zinc/79/48/24/890794824.db2.gz IVKQMJPAOBIKOZ-VIFPVBQESA-N 1 2 280.288 -1.316 20 0 CAADLO Cn1cc(C[NH2+][C@@H](CO)CNC(=O)c2cocn2)nn1 ZINC001425706195 890794938 /nfs/dbraw/zinc/79/49/38/890794938.db2.gz BSMUJUVPVFOAPB-SECBINFHSA-N 1 2 280.288 -1.316 20 0 CAADLO Cn1cnnc1C[NH2+][C@H](CO)CNC(=O)C[C@H]1CCCO1 ZINC001425701136 890795546 /nfs/dbraw/zinc/79/55/46/890795546.db2.gz BJFBFFHVVJVINI-WDEREUQCSA-N 1 2 297.359 -1.049 20 0 CAADLO Cn1ncc(C[NH2+][C@H](CO)CNC(=O)c2cocn2)n1 ZINC001425706952 890796244 /nfs/dbraw/zinc/79/62/44/890796244.db2.gz CWCIQRKOCOOQGQ-VIFPVBQESA-N 1 2 280.288 -1.316 20 0 CAADLO Cn1cnnc1C[NH2+][C@H](CO)CNC(=O)C[C@@H]1CCCO1 ZINC001425701134 890796585 /nfs/dbraw/zinc/79/65/85/890796585.db2.gz BJFBFFHVVJVINI-QWRGUYRKSA-N 1 2 297.359 -1.049 20 0 CAADLO Cn1cnnc1C[NH2+][C@@H](CO)CNC(=O)C[C@H]1CCCO1 ZINC001425701124 890796871 /nfs/dbraw/zinc/79/68/71/890796871.db2.gz BJFBFFHVVJVINI-GHMZBOCLSA-N 1 2 297.359 -1.049 20 0 CAADLO Cn1cc(C[NH2+][C@H](CO)CNC(=O)c2cnsn2)nn1 ZINC001425711111 890797434 /nfs/dbraw/zinc/79/74/34/890797434.db2.gz JVZDSKPAJDRBQS-QMMMGPOBSA-N 1 2 297.344 -1.453 20 0 CAADLO Cn1cnnc1C[NH2+][C@@H](CO)CNC(=O)C1CCOCC1 ZINC001425717335 890798146 /nfs/dbraw/zinc/79/81/46/890798146.db2.gz NLYCFFYDHILOPP-LLVKDONJSA-N 1 2 297.359 -1.192 20 0 CAADLO Cc1nnc(C[NH2+][C@H](CO)CNC(=O)[C@H]2CCC(=O)N2)[nH]1 ZINC001425714334 890798179 /nfs/dbraw/zinc/79/81/79/890798179.db2.gz QNTYRQCWGKJZBU-DTWKUNHWSA-N 1 2 296.331 -2.042 20 0 CAADLO CC(=O)N[C@@H](C)C(=O)NC[C@@H](CO)[NH2+]Cc1cn(C)nn1 ZINC001425716577 890798324 /nfs/dbraw/zinc/79/83/24/890798324.db2.gz UMNCTHMJMVACHQ-KWQFWETISA-N 1 2 298.347 -2.094 20 0 CAADLO Cn1cnnc1C[NH2+][C@H](CO)CNC(=O)C1CCOCC1 ZINC001425717341 890798503 /nfs/dbraw/zinc/79/85/03/890798503.db2.gz NLYCFFYDHILOPP-NSHDSACASA-N 1 2 297.359 -1.192 20 0 CAADLO Cn1ncc(C[NH2+][C@H](CO)CNC(=O)c2cnsn2)n1 ZINC001425715689 890798807 /nfs/dbraw/zinc/79/88/07/890798807.db2.gz QYTMULNMNFFQTR-QMMMGPOBSA-N 1 2 297.344 -1.453 20 0 CAADLO Cc1cc(C[NH2+][C@@H](CO)CNC(=O)[C@H]2CCC(=O)N2)no1 ZINC001425717889 890799684 /nfs/dbraw/zinc/79/96/84/890799684.db2.gz ZRQXORUVNBBMPN-GHMZBOCLSA-N 1 2 296.327 -1.172 20 0 CAADLO Cn1cc(C[NH2+][C@@H](CO)CNC(=O)C2=COCCO2)nn1 ZINC001425717969 890800087 /nfs/dbraw/zinc/80/00/87/890800087.db2.gz WHUBBODSMSWUTP-SNVBAGLBSA-N 1 2 297.315 -1.730 20 0 CAADLO Cc1cc(C(=O)NC[C@H](CO)[NH2+]Cc2nnnn2C)no1 ZINC001425715643 890800196 /nfs/dbraw/zinc/80/01/96/890800196.db2.gz SRYQCOQRCBXFNX-MRVPVSSYSA-N 1 2 295.303 -1.613 20 0 CAADLO Cc1nnc(C[NH2+][C@H](CO)CNC(=O)[C@H]2CCCO2)[nH]1 ZINC001425713029 890800887 /nfs/dbraw/zinc/80/08/87/890800887.db2.gz ODPDVMRQLFMMSH-VHSXEESVSA-N 1 2 283.332 -1.141 20 0 CAADLO Cc1nnc(C[NH2+][C@@H](CO)CNC(=O)[C@H]2CCCO2)[nH]1 ZINC001425713023 890800973 /nfs/dbraw/zinc/80/09/73/890800973.db2.gz ODPDVMRQLFMMSH-NXEZZACHSA-N 1 2 283.332 -1.141 20 0 CAADLO Cc1cc(C(=O)NC[C@@H](CO)[NH2+]Cc2ncnn2C)[nH]n1 ZINC001425727661 890802186 /nfs/dbraw/zinc/80/21/86/890802186.db2.gz WPHAQCPOLDQZCT-VIFPVBQESA-N 1 2 293.331 -1.273 20 0 CAADLO CO[C@@H](C)C(=O)NC[C@@H](CO)[NH2+]Cc1cn(C)nn1 ZINC001425721711 890802496 /nfs/dbraw/zinc/80/24/96/890802496.db2.gz KZNLDAOUMKMPBG-WPRPVWTQSA-N 1 2 271.321 -1.583 20 0 CAADLO CO[C@@H](C)C(=O)NC[C@H](CO)[NH2+]Cc1cn(C)nn1 ZINC001425721710 890802513 /nfs/dbraw/zinc/80/25/13/890802513.db2.gz KZNLDAOUMKMPBG-WCBMZHEXSA-N 1 2 271.321 -1.583 20 0 CAADLO Cn1ncnc1C[NH2+][C@H](CO)CNC(=O)[C@H]1CCOC1 ZINC001425722748 890802985 /nfs/dbraw/zinc/80/29/85/890802985.db2.gz LWSIQTKODJQIMU-UWVGGRQHSA-N 1 2 283.332 -1.582 20 0 CAADLO Cc1ncoc1C(=O)NC[C@H](CO)[NH2+]Cc1nnnn1C ZINC001425727984 890804009 /nfs/dbraw/zinc/80/40/09/890804009.db2.gz BNSDCUGMYIYZNI-MRVPVSSYSA-N 1 2 295.303 -1.613 20 0 CAADLO CO[C@@H](C)CC(=O)NC[C@@H](CO)[NH2+]Cc1nncn1C ZINC001425722865 890804177 /nfs/dbraw/zinc/80/41/77/890804177.db2.gz MRUQBUJANIBVPM-UWVGGRQHSA-N 1 2 285.348 -1.193 20 0 CAADLO Cc1cc(C(=O)NC[C@H](CO)[NH2+]Cc2nnnn2C)co1 ZINC001425727319 890804703 /nfs/dbraw/zinc/80/47/03/890804703.db2.gz FXVGOILAADPPEE-SNVBAGLBSA-N 1 2 294.315 -1.008 20 0 CAADLO Cc1nonc1C[NH2+][C@H](CO)CNC(=O)[C@H]1COC(=O)N1 ZINC001425736771 890805832 /nfs/dbraw/zinc/80/58/32/890805832.db2.gz BOKYOCNGGKEKNJ-IONNQARKSA-N 1 2 299.287 -1.947 20 0 CAADLO Cc1nonc1C[NH2+][C@@H](CO)CNC(=O)[C@@H]1COC(=O)N1 ZINC001425736760 890806403 /nfs/dbraw/zinc/80/64/03/890806403.db2.gz BOKYOCNGGKEKNJ-APPZFPTMSA-N 1 2 299.287 -1.947 20 0 CAADLO COCC(=O)N(C)C[C@H](O)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001425731558 890806596 /nfs/dbraw/zinc/80/65/96/890806596.db2.gz VIOSDRIZFVKDCS-SNVBAGLBSA-N 1 2 284.316 -1.466 20 0 CAADLO Cn1nnnc1C[NH2+][C@H](CO)CNC(=O)[C@H]1CC1(C)C ZINC001425738755 890807049 /nfs/dbraw/zinc/80/70/49/890807049.db2.gz SBAVUDPNEVQNBU-DTWKUNHWSA-N 1 2 282.348 -1.177 20 0 CAADLO Cn1cnnc1C[NH2+][C@@H](CO)CNC(=O)C1=CCOCC1 ZINC001425740448 890807797 /nfs/dbraw/zinc/80/77/97/890807797.db2.gz SWANRIZYRXMHDH-LLVKDONJSA-N 1 2 295.343 -1.272 20 0 CAADLO Cc1nonc1C[NH2+][C@H](CO)CNC(=O)[C@@H]1COC(=O)N1 ZINC001425736766 890807953 /nfs/dbraw/zinc/80/79/53/890807953.db2.gz BOKYOCNGGKEKNJ-CBAPKCEASA-N 1 2 299.287 -1.947 20 0 CAADLO Cn1ncnc1C[NH2+][C@@H](CO)CNC(=O)CC1(O)CCC1 ZINC001425745788 890810136 /nfs/dbraw/zinc/81/01/36/890810136.db2.gz MOCHWQDNMZFGFT-SNVBAGLBSA-N 1 2 297.359 -1.313 20 0 CAADLO Cc1conc1C[NH2+][C@H](CO)CNC(=O)c1cn(C)nn1 ZINC001425741036 890810414 /nfs/dbraw/zinc/81/04/14/890810414.db2.gz ISTIRZWQSVUHQF-VIFPVBQESA-N 1 2 294.315 -1.008 20 0 CAADLO Cc1nc(C(=O)NC[C@H](CO)[NH2+]Cc2ncnn2C)co1 ZINC001425741870 890810495 /nfs/dbraw/zinc/81/04/95/890810495.db2.gz WJFYXTQDGNKHGV-SECBINFHSA-N 1 2 294.315 -1.008 20 0 CAADLO Cc1nnc(C[NH2+][C@@H](CO)CNC(=O)[C@@H]2COCCO2)[nH]1 ZINC001425745840 890810953 /nfs/dbraw/zinc/81/09/53/890810953.db2.gz XLBZYIGCTRNKON-ZJUUUORDSA-N 1 2 299.331 -1.905 20 0 CAADLO Cn1ncnc1C[NH2+][C@@H](CO)CNC(=O)Cc1cc[nH]n1 ZINC001425741410 890811262 /nfs/dbraw/zinc/81/12/62/890811262.db2.gz WNRZBPQOLKRGJD-SNVBAGLBSA-N 1 2 293.331 -1.652 20 0 CAADLO CC(=O)N(C)CC(=O)NC[C@@H](CO)[NH2+]Cc1ncnn1C ZINC001425743625 890812073 /nfs/dbraw/zinc/81/20/73/890812073.db2.gz ULHBDXJUFGTBST-JTQLQIEISA-N 1 2 298.347 -2.140 20 0 CAADLO O=C(CCn1cncn1)NC[C@@H](CO)[NH2+]Cc1ccon1 ZINC001425743496 890812349 /nfs/dbraw/zinc/81/23/49/890812349.db2.gz UETDRNUJPKDJIL-NSHDSACASA-N 1 2 294.315 -1.077 20 0 CAADLO O=C(Cn1ncnn1)NC[C@@H](CO)[NH2+]Cc1nccs1 ZINC001425765163 890815093 /nfs/dbraw/zinc/81/50/93/890815093.db2.gz ZTCSLSOOYSRWPQ-QMMMGPOBSA-N 1 2 297.344 -1.604 20 0 CAADLO Cn1cnnc1C[NH2+][C@H](CO)CNC(=O)c1cnco1 ZINC001425775992 890817371 /nfs/dbraw/zinc/81/73/71/890817371.db2.gz OARGAIDYLIIATO-QMMMGPOBSA-N 1 2 280.288 -1.316 20 0 CAADLO Cn1ncc(C[NH2+][C@H](CO)CNC(=O)[C@@H]2CNC(=O)N2)n1 ZINC001425799405 890821785 /nfs/dbraw/zinc/82/17/85/890821785.db2.gz PXVPAZJHSHCARC-IUCAKERBSA-N 1 2 297.319 -2.937 20 0 CAADLO Cc1conc1C[NH2+][C@@H](CO)CNC(=O)[C@H]1CNC(=O)N1 ZINC001425795752 890821988 /nfs/dbraw/zinc/82/19/88/890821988.db2.gz JYNLEIRENWSLKK-PSASIEDQSA-N 1 2 297.315 -1.769 20 0 CAADLO Cc1cc(C[NH2+][C@@H](CO)CNC(=O)c2nnn(C)n2)no1 ZINC001425800782 890822821 /nfs/dbraw/zinc/82/28/21/890822821.db2.gz YPSOBPCYRXFLGY-SECBINFHSA-N 1 2 295.303 -1.613 20 0 CAADLO Cn1nnnc1C[NH2+][C@H](CO)CNC(=O)[C@@H]1CC12CC2 ZINC001425820211 890824478 /nfs/dbraw/zinc/82/44/78/890824478.db2.gz IHNAEVGWWYIHGO-IUCAKERBSA-N 1 2 280.332 -1.423 20 0 CAADLO Cn1cnnc1C[NH2+][C@@H](CO)CNC(=O)c1ccncn1 ZINC001425819532 890825529 /nfs/dbraw/zinc/82/55/29/890825529.db2.gz IZCSTPQLDCDUEI-SECBINFHSA-N 1 2 291.315 -1.514 20 0 CAADLO Cn1ncc(C[NH2+][C@@H](CO)CNC(=O)Cn2cncn2)n1 ZINC001425831993 890828640 /nfs/dbraw/zinc/82/86/40/890828640.db2.gz IVZBJWPFMYNRSN-SNVBAGLBSA-N 1 2 294.319 -2.327 20 0 CAADLO Cc1conc1C[NH2+][C@@H](CO)CNC(=O)Cc1nc[nH]n1 ZINC001425833474 890828855 /nfs/dbraw/zinc/82/88/55/890828855.db2.gz QVNLJMZXPXHGEA-SECBINFHSA-N 1 2 294.315 -1.089 20 0 CAADLO Cn1cnnc1C[NH2+][C@@H](CO)CNC(=O)[C@@]1(C)CCOC1 ZINC001425829816 890829193 /nfs/dbraw/zinc/82/91/93/890829193.db2.gz YMMRCOXTFKOSDU-MFKMUULPSA-N 1 2 297.359 -1.192 20 0 CAADLO O=C(Cc1nc[nH]n1)NC[C@@H](CO)[NH2+]Cc1ccon1 ZINC001425836919 890829916 /nfs/dbraw/zinc/82/99/16/890829916.db2.gz WNEUESNVJIQIHC-VIFPVBQESA-N 1 2 280.288 -1.398 20 0 CAADLO Cn1ccc(C(=O)NC[C@H](CO)[NH2+]Cc2nncn2C)n1 ZINC001425853189 890833088 /nfs/dbraw/zinc/83/30/88/890833088.db2.gz NISREGHVHFGSSY-SECBINFHSA-N 1 2 293.331 -1.571 20 0 CAADLO COCC(=O)N(C)C[C@@H](O)CN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001425879472 890835652 /nfs/dbraw/zinc/83/56/52/890835652.db2.gz WUUSLHQPUYUVNS-NSHDSACASA-N 1 2 298.343 -1.124 20 0 CAADLO COCC(=O)N(C)C[C@H](O)CN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001425879467 890836226 /nfs/dbraw/zinc/83/62/26/890836226.db2.gz WUUSLHQPUYUVNS-LLVKDONJSA-N 1 2 298.343 -1.124 20 0 CAADLO COCC[N@H+](CCF)CCNC(=O)c1nnn(C)n1 ZINC001426171551 890852092 /nfs/dbraw/zinc/85/20/92/890852092.db2.gz TUFUCWIIVHYHBX-UHFFFAOYSA-N 1 2 274.300 -1.142 20 0 CAADLO CNC(=O)C[N@H+](CCNC(=O)[C@H]1[C@@H]2COC[C@@H]21)CCOC ZINC001426171505 890851831 /nfs/dbraw/zinc/85/18/31/890851831.db2.gz SJEDFDUHPPNZRN-PJXYFTJBSA-N 1 2 299.371 -1.311 20 0 CAADLO CNC(=O)C[N@@H+](CCNC(=O)[C@H]1[C@@H]2COC[C@@H]21)CCOC ZINC001426171505 890851837 /nfs/dbraw/zinc/85/18/37/890851837.db2.gz SJEDFDUHPPNZRN-PJXYFTJBSA-N 1 2 299.371 -1.311 20 0 CAADLO COCC[N@@H+](CCF)CCNC(=O)c1nnn(C)n1 ZINC001426171551 890852101 /nfs/dbraw/zinc/85/21/01/890852101.db2.gz TUFUCWIIVHYHBX-UHFFFAOYSA-N 1 2 274.300 -1.142 20 0 CAADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)Nc1nnn(C)n1 ZINC001426201620 890852346 /nfs/dbraw/zinc/85/23/46/890852346.db2.gz NUOMQMFPPOFZAU-VIFPVBQESA-N 1 2 299.335 -1.633 20 0 CAADLO CNC(=O)C[N@H+](CCNC(=O)[C@H]1CCOC1)CCOC ZINC001426153237 890852425 /nfs/dbraw/zinc/85/24/25/890852425.db2.gz GUVTXADQZWRNTI-NSHDSACASA-N 1 2 287.360 -1.167 20 0 CAADLO CNC(=O)C[N@@H+](CCNC(=O)[C@H]1CCOC1)CCOC ZINC001426153237 890852440 /nfs/dbraw/zinc/85/24/40/890852440.db2.gz GUVTXADQZWRNTI-NSHDSACASA-N 1 2 287.360 -1.167 20 0 CAADLO CCC(=O)NCC[N@H+](CCOC)CC(=O)NC(=O)NC ZINC001426162079 890853075 /nfs/dbraw/zinc/85/30/75/890853075.db2.gz XDISJPDPHZFPMM-UHFFFAOYSA-N 1 2 288.348 -1.083 20 0 CAADLO CCC(=O)NCC[N@@H+](CCOC)CC(=O)NC(=O)NC ZINC001426162079 890853081 /nfs/dbraw/zinc/85/30/81/890853081.db2.gz XDISJPDPHZFPMM-UHFFFAOYSA-N 1 2 288.348 -1.083 20 0 CAADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)Nc1nnn(C)n1 ZINC001426201617 890855177 /nfs/dbraw/zinc/85/51/77/890855177.db2.gz NUOMQMFPPOFZAU-SECBINFHSA-N 1 2 299.335 -1.633 20 0 CAADLO COCC[N@H+](CCNC(=O)c1cn(C)nc1C)CC(N)=O ZINC001426153547 890855359 /nfs/dbraw/zinc/85/53/59/890855359.db2.gz CQNAHEKTTFTCKZ-UHFFFAOYSA-N 1 2 297.359 -1.108 20 0 CAADLO COCC[N@@H+](CCNC(=O)c1cn(C)nc1C)CC(N)=O ZINC001426153547 890855368 /nfs/dbraw/zinc/85/53/68/890855368.db2.gz CQNAHEKTTFTCKZ-UHFFFAOYSA-N 1 2 297.359 -1.108 20 0 CAADLO CC(=O)NCC(=O)NC[C@@H](CO)NC(=O)Cc1c[nH]c[nH+]1 ZINC001427724814 890877390 /nfs/dbraw/zinc/87/73/90/890877390.db2.gz BPAAKCGGGWPUGP-JTQLQIEISA-N 1 2 297.315 -2.318 20 0 CAADLO CC(=O)NCC(=O)NC[C@H](CO)NC(=O)Cc1c[nH]c[nH+]1 ZINC001427724819 890878372 /nfs/dbraw/zinc/87/83/72/890878372.db2.gz BPAAKCGGGWPUGP-SNVBAGLBSA-N 1 2 297.315 -2.318 20 0 CAADLO COCCC(=O)NC[C@H](CO)NC(=O)Cc1c[nH+]cn1C ZINC001427731828 890879475 /nfs/dbraw/zinc/87/94/75/890879475.db2.gz JSKRZZNZXGLIKP-SNVBAGLBSA-N 1 2 298.343 -1.408 20 0 CAADLO O=C(Cc1[nH]cc[nH+]1)N[C@@H](CO)CNC(=O)C(F)F ZINC001427741346 890882121 /nfs/dbraw/zinc/88/21/21/890882121.db2.gz ZRCWVHGTPUMOJM-ZCFIWIBFSA-N 1 2 276.243 -1.189 20 0 CAADLO O=C(Cc1c[nH]c[nH+]1)N[C@H](CO)CNC(=O)[C@H]1CCOC1 ZINC001427762626 890886474 /nfs/dbraw/zinc/88/64/74/890886474.db2.gz HAFDGKVNZGQYJD-ONGXEEELSA-N 1 2 296.327 -1.418 20 0 CAADLO COC[C@H](C)C(=O)NC[C@@H](CO)NC(=O)Cc1[nH]cc[nH+]1 ZINC001427769055 890888790 /nfs/dbraw/zinc/88/87/90/890888790.db2.gz IBOMLJZEHFZLMF-UWVGGRQHSA-N 1 2 298.343 -1.172 20 0 CAADLO COC[C@@H](C)C(=O)NC[C@H](CO)NC(=O)Cc1[nH]cc[nH+]1 ZINC001427769053 890888978 /nfs/dbraw/zinc/88/89/78/890888978.db2.gz IBOMLJZEHFZLMF-NXEZZACHSA-N 1 2 298.343 -1.172 20 0 CAADLO CO[C@@H](C)C(=O)N[C@@H](CO)CNC(=O)Cc1c[nH+]cn1C ZINC001427904856 890897333 /nfs/dbraw/zinc/89/73/33/890897333.db2.gz ZVKIEAGMCRBHCP-VHSXEESVSA-N 1 2 298.343 -1.409 20 0 CAADLO COCC(=O)N[C@@H](CO)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001427971395 890900060 /nfs/dbraw/zinc/90/00/60/890900060.db2.gz KJTGJQDFASPJSZ-SECBINFHSA-N 1 2 270.289 -1.808 20 0 CAADLO CCOCC(=O)N(C)C[C@@H](O)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001428160318 890906317 /nfs/dbraw/zinc/90/63/17/890906317.db2.gz RWVRLBUXECCMDA-NSHDSACASA-N 1 2 298.343 -1.076 20 0 CAADLO C[C@H](CNC(=O)Cc1c[nH+]cn1C)NC(=O)CNC(N)=O ZINC001428721619 890921954 /nfs/dbraw/zinc/92/19/54/890921954.db2.gz AWIPTASGSNDRLZ-MRVPVSSYSA-N 1 2 296.331 -1.748 20 0 CAADLO CNC(=O)NCC(=O)N[C@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001428683664 890922597 /nfs/dbraw/zinc/92/25/97/890922597.db2.gz IPDCBNZSIIRBSJ-SECBINFHSA-N 1 2 296.331 -1.567 20 0 CAADLO COCC(=O)N1C[C@@H](O)[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001428800130 890924131 /nfs/dbraw/zinc/92/41/31/890924131.db2.gz QFOQCTKWSBDSMP-GHMZBOCLSA-N 1 2 296.327 -1.393 20 0 CAADLO CC(=O)NCC(=O)NCCN(C)C(=O)CCn1cc[nH+]c1 ZINC001429136848 890929551 /nfs/dbraw/zinc/92/95/51/890929551.db2.gz GISBTNAIIDORFH-UHFFFAOYSA-N 1 2 295.343 -1.016 20 0 CAADLO CN(CCNC(=O)Cc1c[nH]c[nH+]1)C(=O)Cn1cnnn1 ZINC001429520669 890940840 /nfs/dbraw/zinc/94/08/40/890940840.db2.gz YXTYUJDVMUJCFF-UHFFFAOYSA-N 1 2 292.303 -1.787 20 0 CAADLO CC(=O)N(C)CC[NH+]1CCN(C(=O)CNC(N)=O)CC1 ZINC001430061582 890943892 /nfs/dbraw/zinc/94/38/92/890943892.db2.gz PHCMCSYIKXAPOC-UHFFFAOYSA-N 1 2 285.348 -1.723 20 0 CAADLO CC(=O)N[C@H](C)C(=O)NC1CN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001430145151 890946591 /nfs/dbraw/zinc/94/65/91/890946591.db2.gz RUQBYJSVLFLAJD-MRVPVSSYSA-N 1 2 293.327 -1.196 20 0 CAADLO CC(=O)N(C)CC(=O)NC1CN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001430151992 890946837 /nfs/dbraw/zinc/94/68/37/890946837.db2.gz QTRZWRKMDLISIK-UHFFFAOYSA-N 1 2 293.327 -1.243 20 0 CAADLO COC(=O)NCC(=O)NC1CN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001430176608 890948795 /nfs/dbraw/zinc/94/87/95/890948795.db2.gz QYEDFIBQQBUHGN-UHFFFAOYSA-N 1 2 295.299 -1.365 20 0 CAADLO C[C@H](CNC(=O)[C@@H]1CNC(=O)N1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001430757391 890960044 /nfs/dbraw/zinc/96/00/44/890960044.db2.gz YVUHSROHSLDGGF-APPZFPTMSA-N 1 2 294.315 -1.746 20 0 CAADLO CC(=O)NCC(=O)NC[C@H](C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001430960892 890961844 /nfs/dbraw/zinc/96/18/44/890961844.db2.gz SAHYLRWDBJBRQD-SECBINFHSA-N 1 2 295.343 -1.043 20 0 CAADLO CC(=O)N(C)CC(=O)N(C)CCNC(=O)Cn1cc[nH+]c1 ZINC001431338990 890966739 /nfs/dbraw/zinc/96/67/39/890966739.db2.gz ZMALHXGJRLHPDV-UHFFFAOYSA-N 1 2 295.343 -1.064 20 0 CAADLO CN(CCNC(=O)c1cnn(C)n1)C(=O)Cc1c[nH+]c[nH]1 ZINC001431372506 890967494 /nfs/dbraw/zinc/96/74/94/890967494.db2.gz LIOWFBDNIWAZGF-UHFFFAOYSA-N 1 2 291.315 -1.031 20 0 CAADLO CN(CCNC(=O)Cn1cc[nH+]c1)C(=O)[C@H]1CNC(=O)N1 ZINC001431334538 890968155 /nfs/dbraw/zinc/96/81/55/890968155.db2.gz HVADQNFZBNPZLN-SECBINFHSA-N 1 2 294.315 -1.861 20 0 CAADLO CN(CCNC(=O)Cn1cc[nH+]c1)C(=O)[C@@H]1CNC(=O)N1 ZINC001431334979 890968176 /nfs/dbraw/zinc/96/81/76/890968176.db2.gz HVADQNFZBNPZLN-VIFPVBQESA-N 1 2 294.315 -1.861 20 0 CAADLO CN(CCNC(=O)CCNC(N)=O)C(=O)Cc1[nH]cc[nH+]1 ZINC001431235252 890968528 /nfs/dbraw/zinc/96/85/28/890968528.db2.gz PQSTVYWOOCBNSZ-UHFFFAOYSA-N 1 2 296.331 -1.415 20 0 CAADLO COCCC(=O)NC[C@@H](O)CNC(=O)Cc1[nH]c[nH+]c1C ZINC001431454231 890971261 /nfs/dbraw/zinc/97/12/61/890971261.db2.gz FYCVQSMRSFJGIA-SNVBAGLBSA-N 1 2 298.343 -1.110 20 0 CAADLO CCO[C@@H](C)C(=O)NC[C@@H](O)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001431496743 890978480 /nfs/dbraw/zinc/97/84/80/890978480.db2.gz MIGXKSSNTLULMX-ONGXEEELSA-N 1 2 298.343 -1.030 20 0 CAADLO CN(CCNC(=O)Cc1c[nH]c[nH+]1)C(=O)[C@@H]1COCCO1 ZINC001431554691 890982229 /nfs/dbraw/zinc/98/22/29/890982229.db2.gz CZMPXVYJKRSKAN-NSHDSACASA-N 1 2 296.327 -1.058 20 0 CAADLO CN(CCNC(=O)Cc1c[nH]c[nH+]1)C(=O)[C@@H]1CNC(=O)N1 ZINC001431546952 890982287 /nfs/dbraw/zinc/98/22/87/890982287.db2.gz CQXMPNORWDNQPQ-VIFPVBQESA-N 1 2 294.315 -1.792 20 0 CAADLO CN(CCNC(=O)Cn1cncn1)C(=O)Cc1[nH]cc[nH+]1 ZINC001431535712 890982723 /nfs/dbraw/zinc/98/27/23/890982723.db2.gz ANJHABHXNBLJMJ-UHFFFAOYSA-N 1 2 291.315 -1.182 20 0 CAADLO O=C(Cc1c[nH]c[nH+]1)NC[C@@H](O)CNC(=O)c1ncc[nH]1 ZINC001431550074 890983445 /nfs/dbraw/zinc/98/34/45/890983445.db2.gz UBTJYZWXWFHCNI-SECBINFHSA-N 1 2 292.299 -1.418 20 0 CAADLO C[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)NC(=O)Cn1cnnn1 ZINC001431764503 890989273 /nfs/dbraw/zinc/98/92/73/890989273.db2.gz DPPLUGVJSFDNDZ-QMMMGPOBSA-N 1 2 292.303 -1.740 20 0 CAADLO C[C@H](CNC(=O)Cn1nccn1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001431722108 890989420 /nfs/dbraw/zinc/98/94/20/890989420.db2.gz NFYFFNOEUUQBPB-SECBINFHSA-N 1 2 291.315 -1.135 20 0 CAADLO C[C@H](CNC(=O)Cn1cc[nH+]c1)NC(=O)Cn1cncn1 ZINC001431750842 890989472 /nfs/dbraw/zinc/98/94/72/890989472.db2.gz MNASRIPUCLOAPK-SNVBAGLBSA-N 1 2 291.315 -1.204 20 0 CAADLO C[C@@H](CNC(=O)Cn1cc[nH+]c1)NC(=O)Cn1cncn1 ZINC001431921318 890990086 /nfs/dbraw/zinc/99/00/86/890990086.db2.gz MNASRIPUCLOAPK-JTQLQIEISA-N 1 2 291.315 -1.204 20 0 CAADLO CC(=O)N(C)CC[NH+]1CCN(C(=O)[C@H]2COC(=O)N2)CC1 ZINC001432055057 890993487 /nfs/dbraw/zinc/99/34/87/890993487.db2.gz DRAOSRQPDXNZGY-LLVKDONJSA-N 1 2 298.343 -1.283 20 0 CAADLO CC(=O)N(C)CC[NH+]1CCN(C(=O)[C@@H]2COC(=O)N2)CC1 ZINC001432055065 890995094 /nfs/dbraw/zinc/99/50/94/890995094.db2.gz DRAOSRQPDXNZGY-NSHDSACASA-N 1 2 298.343 -1.283 20 0 CAADLO COC(=O)NCC(=O)N1CC(NC(=O)Cn2cc[nH+]c2)C1 ZINC001432283548 890999618 /nfs/dbraw/zinc/99/96/18/890999618.db2.gz XEJUHXUXEYKYMT-UHFFFAOYSA-N 1 2 295.299 -1.434 20 0 CAADLO NC(=O)NCC(=O)N1CC(NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001432325311 891002894 /nfs/dbraw/zinc/00/28/94/891002894.db2.gz NMTSWDXAWLWPII-UHFFFAOYSA-N 1 2 280.288 -2.053 20 0 CAADLO COCC(=O)NC[C@]1(O)CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001432773818 891008390 /nfs/dbraw/zinc/00/83/90/891008390.db2.gz ICPOHQNSIUOYGV-CYBMUJFWSA-N 1 2 296.327 -1.391 20 0 CAADLO CCO[C@@H](C)C(=O)NC[C@@H](O)CNC(=O)Cn1cc[nH+]c1 ZINC001433240341 891020896 /nfs/dbraw/zinc/02/08/96/891020896.db2.gz FLGAVCSZWQKZKF-QWRGUYRKSA-N 1 2 298.343 -1.099 20 0 CAADLO CCO[C@H](C)C(=O)NC[C@H](O)CNC(=O)Cn1cc[nH+]c1 ZINC001433240339 891021904 /nfs/dbraw/zinc/02/19/04/891021904.db2.gz FLGAVCSZWQKZKF-GHMZBOCLSA-N 1 2 298.343 -1.099 20 0 CAADLO CO[C@@H](C)C(=O)NC[C@H](O)CNC(=O)CCc1c[nH]c[nH+]1 ZINC001433256753 891022773 /nfs/dbraw/zinc/02/27/73/891022773.db2.gz NGZYQRQBDHFHKP-GXSJLCMTSA-N 1 2 298.343 -1.030 20 0 CAADLO CO[C@@H](C)C(=O)NC[C@H](O)CNC(=O)CCc1c[nH+]c[nH]1 ZINC001433256753 891022787 /nfs/dbraw/zinc/02/27/87/891022787.db2.gz NGZYQRQBDHFHKP-GXSJLCMTSA-N 1 2 298.343 -1.030 20 0 CAADLO O=C(Cc1c[nH]c[nH+]1)NC[C@H](O)CNC(=O)c1cnco1 ZINC001433323816 891027661 /nfs/dbraw/zinc/02/76/61/891027661.db2.gz RRDPGZSESVMTNA-VIFPVBQESA-N 1 2 293.283 -1.153 20 0 CAADLO C[C@H](CNC(=O)Cn1cc[nH+]c1)NC(=O)[C@@H]1CNC(=O)N1 ZINC001433487379 891032807 /nfs/dbraw/zinc/03/28/07/891032807.db2.gz MJHONFYVAOXJDJ-BDAKNGLRSA-N 1 2 294.315 -1.815 20 0 CAADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)c1cn(CC(N)=O)nn1 ZINC001433613354 891040510 /nfs/dbraw/zinc/04/05/10/891040510.db2.gz NTVYBSKXCQBLSD-QMMMGPOBSA-N 1 2 277.288 -1.222 20 0 CAADLO C[C@@H]1C[N@H+](CCNC(=O)CCCS(N)(=O)=O)CCO1 ZINC001433634338 891040870 /nfs/dbraw/zinc/04/08/70/891040870.db2.gz UYGUVRBWGVSBEN-SNVBAGLBSA-N 1 2 293.389 -1.108 20 0 CAADLO C[C@@H]1C[N@@H+](CCNC(=O)CCCS(N)(=O)=O)CCO1 ZINC001433634338 891040881 /nfs/dbraw/zinc/04/08/81/891040881.db2.gz UYGUVRBWGVSBEN-SNVBAGLBSA-N 1 2 293.389 -1.108 20 0 CAADLO CCOC(=O)CN(CC(N)=O)C(=O)Cc1c[nH+]cn1C ZINC001433626532 891041029 /nfs/dbraw/zinc/04/10/29/891041029.db2.gz QXVPGDFNAZAEJH-UHFFFAOYSA-N 1 2 282.300 -1.160 20 0 CAADLO CC(C)(O)[C@@H](O)C(=O)N[C@H]1CCC[N@H+](CC(N)=O)C1 ZINC001433665066 891042909 /nfs/dbraw/zinc/04/29/09/891042909.db2.gz NJQXDNXDRRZFIQ-WPRPVWTQSA-N 1 2 273.333 -1.816 20 0 CAADLO CC(C)(O)[C@@H](O)C(=O)N[C@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001433665066 891042925 /nfs/dbraw/zinc/04/29/25/891042925.db2.gz NJQXDNXDRRZFIQ-WPRPVWTQSA-N 1 2 273.333 -1.816 20 0 CAADLO NC(=O)C[N@@H+]1CCCN(C(=O)c2ns[nH]c2=O)CC1 ZINC001433671878 891047941 /nfs/dbraw/zinc/04/79/41/891047941.db2.gz SXLVKYRPCQDNPC-UHFFFAOYSA-N 1 2 285.329 -1.535 20 0 CAADLO NC(=O)C[N@H+]1CCCN(C(=O)c2ns[nH]c2=O)CC1 ZINC001433671878 891047950 /nfs/dbraw/zinc/04/79/50/891047950.db2.gz SXLVKYRPCQDNPC-UHFFFAOYSA-N 1 2 285.329 -1.535 20 0 CAADLO CC(=O)N[C@@H](CC(=O)N1CC(n2cc[nH+]c2)C1)C(N)=O ZINC001433707095 891049855 /nfs/dbraw/zinc/04/98/55/891049855.db2.gz FMFJETQBFYHSPV-JTQLQIEISA-N 1 2 279.300 -1.354 20 0 CAADLO Cn1c[nH+]cc1[C@@H](CO)NC(=O)c1cn(C)c(=O)[nH]c1=O ZINC001434220012 891087223 /nfs/dbraw/zinc/08/72/23/891087223.db2.gz BZLOMRMUHDWVRE-MRVPVSSYSA-N 1 2 293.283 -1.317 20 0 CAADLO COC(=O)COCC(=O)N[C@H](CO)c1c[nH+]cn1C ZINC001434231589 891090582 /nfs/dbraw/zinc/09/05/82/891090582.db2.gz UCPXXZZLDZCSCK-MRVPVSSYSA-N 1 2 271.273 -1.241 20 0 CAADLO CC(=O)N[C@@H](CC(=O)N[C@@H](CO)c1c[nH+]cn1C)C(N)=O ZINC001434222692 891090751 /nfs/dbraw/zinc/09/07/51/891090751.db2.gz GFVZNWXYXXUPDF-IUCAKERBSA-N 1 2 297.315 -2.050 20 0 CAADLO CN1CC[N@H+](C)CC(C(=O)NCc2nc(O)cc(=O)[nH]2)C1 ZINC001434231797 891090789 /nfs/dbraw/zinc/09/07/89/891090789.db2.gz LZLCERKZPPPMJA-UHFFFAOYSA-N 1 2 295.343 -1.003 20 0 CAADLO CN1CC[N@@H+](C)CC(C(=O)NCc2nc(O)cc(=O)[nH]2)C1 ZINC001434231797 891090800 /nfs/dbraw/zinc/09/08/00/891090800.db2.gz LZLCERKZPPPMJA-UHFFFAOYSA-N 1 2 295.343 -1.003 20 0 CAADLO O=C(N1CCO[C@@H](C[NH+]2CCOCC2)C1)C1(O)COC1 ZINC001434237942 891091272 /nfs/dbraw/zinc/09/12/72/891091272.db2.gz QCUAXXOXZGADBL-NSHDSACASA-N 1 2 286.328 -1.693 20 0 CAADLO O=C(N[C@H](CO)Cc1c[nH]c[nH+]1)[C@H]1CCS(=O)(=O)N1 ZINC001434300266 891099042 /nfs/dbraw/zinc/09/90/42/891099042.db2.gz KAIACFIGTBNPTK-DTWKUNHWSA-N 1 2 288.329 -1.879 20 0 CAADLO O=C(N[C@H](CO)Cc1c[nH+]c[nH]1)[C@H]1CCS(=O)(=O)N1 ZINC001434300266 891099048 /nfs/dbraw/zinc/09/90/48/891099048.db2.gz KAIACFIGTBNPTK-DTWKUNHWSA-N 1 2 288.329 -1.879 20 0 CAADLO O=C(Cc1c[nH]c[nH+]1)NCc1nnc2n1CCNC2=O ZINC001434323202 891101520 /nfs/dbraw/zinc/10/15/20/891101520.db2.gz MTZIACCQLMWTOZ-UHFFFAOYSA-N 1 2 275.272 -1.397 20 0 CAADLO CS(=O)(=O)CC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1CO ZINC001434332446 891103579 /nfs/dbraw/zinc/10/35/79/891103579.db2.gz MRNQVRYHCIGBEV-VHSXEESVSA-N 1 2 276.358 -1.302 20 0 CAADLO CS(=O)(=O)CC(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1CO ZINC001434332446 891103583 /nfs/dbraw/zinc/10/35/83/891103583.db2.gz MRNQVRYHCIGBEV-VHSXEESVSA-N 1 2 276.358 -1.302 20 0 CAADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1nnn(C)c1C ZINC001434339641 891104446 /nfs/dbraw/zinc/10/44/46/891104446.db2.gz MOBJYAQNTONZQP-VIFPVBQESA-N 1 2 291.315 -1.066 20 0 CAADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1nnn(C)c1C ZINC001434339641 891104452 /nfs/dbraw/zinc/10/44/52/891104452.db2.gz MOBJYAQNTONZQP-VIFPVBQESA-N 1 2 291.315 -1.066 20 0 CAADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H]1CCCC(=O)N1 ZINC001434340545 891104845 /nfs/dbraw/zinc/10/48/45/891104845.db2.gz ORSDXUMZFSSUHF-ZJUUUORDSA-N 1 2 293.327 -1.148 20 0 CAADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H]1CCCC(=O)N1 ZINC001434340545 891104857 /nfs/dbraw/zinc/10/48/57/891104857.db2.gz ORSDXUMZFSSUHF-ZJUUUORDSA-N 1 2 293.327 -1.148 20 0 CAADLO CC[C@H](C[NH+]1CCOCC1)NC(=O)[C@@H](CO)NC(N)=O ZINC001434370613 891109186 /nfs/dbraw/zinc/10/91/86/891109186.db2.gz NKMVATJJWNPDMM-NXEZZACHSA-N 1 2 288.348 -1.757 20 0 CAADLO CNC(=O)C[N@@H+]1CCCN(C(=O)Cn2nnc(N)n2)CC1 ZINC001434376695 891109369 /nfs/dbraw/zinc/10/93/69/891109369.db2.gz PCKNGMSNXDVZJB-UHFFFAOYSA-N 1 2 296.335 -2.464 20 0 CAADLO CNC(=O)C[N@H+]1CCCN(C(=O)Cn2nnc(N)n2)CC1 ZINC001434376695 891109378 /nfs/dbraw/zinc/10/93/78/891109378.db2.gz PCKNGMSNXDVZJB-UHFFFAOYSA-N 1 2 296.335 -2.464 20 0 CAADLO O=C(Cc1c[nH+]c[nH]1)N1CCS(=O)(=O)C[C@H]1CCO ZINC001434373616 891109698 /nfs/dbraw/zinc/10/96/98/891109698.db2.gz SCUOAKLPTCVIME-SNVBAGLBSA-N 1 2 287.341 -1.040 20 0 CAADLO C[NH+]1CCN(C(=O)CNC(=O)CCc2nn[nH]n2)CC1 ZINC001434424312 891115484 /nfs/dbraw/zinc/11/54/84/891115484.db2.gz KXHRSWOAPCDORM-UHFFFAOYSA-N 1 2 281.320 -1.978 20 0 CAADLO CNC(=O)[C@@H](C)C[N@H+](C)Cc1cc(=O)n2[nH]c(N)nc2n1 ZINC001434457327 891117581 /nfs/dbraw/zinc/11/75/81/891117581.db2.gz JJYJLCFLPLNFDJ-ZETCQYMHSA-N 1 2 293.331 -1.186 20 0 CAADLO CNC(=O)[C@@H](C)C[N@@H+](C)Cc1cc(=O)n2[nH]c(N)nc2n1 ZINC001434457327 891117588 /nfs/dbraw/zinc/11/75/88/891117588.db2.gz JJYJLCFLPLNFDJ-ZETCQYMHSA-N 1 2 293.331 -1.186 20 0 CAADLO NC(=O)[C@@H]1C[N@H+](C[C@H](O)C[C@@]2(O)CCOC2)CCO1 ZINC001434459675 891118004 /nfs/dbraw/zinc/11/80/04/891118004.db2.gz TYBDKWBVBOXIDB-SCVCMEIPSA-N 1 2 274.317 -1.925 20 0 CAADLO NC(=O)[C@@H]1C[N@@H+](C[C@H](O)C[C@@]2(O)CCOC2)CCO1 ZINC001434459675 891118005 /nfs/dbraw/zinc/11/80/05/891118005.db2.gz TYBDKWBVBOXIDB-SCVCMEIPSA-N 1 2 274.317 -1.925 20 0 CAADLO CO[C@@H]1COC[C@H]1[NH2+]Cc1nnc2c(=O)n(C)ccn12 ZINC001434476991 891120303 /nfs/dbraw/zinc/12/03/03/891120303.db2.gz HPWUCKPKZKCWFM-RKDXNWHRSA-N 1 2 279.300 -1.069 20 0 CAADLO C[C@@H](C[NH+]1CCOCC1)N1CCN(CC(N)=O)C(=O)C1 ZINC001434472621 891121050 /nfs/dbraw/zinc/12/10/50/891121050.db2.gz MQZLDQYOONKPAD-NSHDSACASA-N 1 2 284.360 -1.663 20 0 CAADLO NC(=O)Cn1cc(C[NH2+]Cc2cnc3n2CCOC3)nn1 ZINC001434516741 891123909 /nfs/dbraw/zinc/12/39/09/891123909.db2.gz CFOPEDQQUSZAOE-UHFFFAOYSA-N 1 2 291.315 -1.220 20 0 CAADLO CCn1cc(C[NH2+]C[C@]2(O)CCS(=O)(=O)C2)nn1 ZINC001434512214 891124995 /nfs/dbraw/zinc/12/49/95/891124995.db2.gz VJQFHFILOFGMLX-SNVBAGLBSA-N 1 2 274.346 -1.063 20 0 CAADLO CS(=O)(=O)NCC[N@H+](CC(N)=O)C1CCOCC1 ZINC001434487176 891125013 /nfs/dbraw/zinc/12/50/13/891125013.db2.gz GQNHNAPGQROGBA-UHFFFAOYSA-N 1 2 279.362 -1.498 20 0 CAADLO CS(=O)(=O)NCC[N@@H+](CC(N)=O)C1CCOCC1 ZINC001434487176 891125019 /nfs/dbraw/zinc/12/50/19/891125019.db2.gz GQNHNAPGQROGBA-UHFFFAOYSA-N 1 2 279.362 -1.498 20 0 CAADLO CON1CC[C@@H]([N@@H+]2CCN3CCOC[C@]3(CO)C2)C1=O ZINC001434492770 891125271 /nfs/dbraw/zinc/12/52/71/891125271.db2.gz RHKFWRJDNMIBMW-DGCLKSJQSA-N 1 2 285.344 -1.472 20 0 CAADLO CON1CC[C@@H]([N@H+]2CCN3CCOC[C@]3(CO)C2)C1=O ZINC001434492770 891125277 /nfs/dbraw/zinc/12/52/77/891125277.db2.gz RHKFWRJDNMIBMW-DGCLKSJQSA-N 1 2 285.344 -1.472 20 0 CAADLO COC[C@H](CCO)NS(=O)(=O)N1CC[NH+](C)CC1 ZINC001434561522 891127979 /nfs/dbraw/zinc/12/79/79/891127979.db2.gz XWAOCKDMTLGQCK-JTQLQIEISA-N 1 2 281.378 -1.534 20 0 CAADLO CC(C)[C@H](NS(=O)(=O)N1CC[NH+](C)CC1)C(N)=O ZINC001434657567 891132395 /nfs/dbraw/zinc/13/23/95/891132395.db2.gz RFVRNEXQAYUFGR-VIFPVBQESA-N 1 2 278.378 -1.422 20 0 CAADLO C[C@@H](NS(=O)(=O)N1CC[NH+](C)CC1)c1nnnn1C ZINC001434644144 891132846 /nfs/dbraw/zinc/13/28/46/891132846.db2.gz KVILHYZTCMDUSA-MRVPVSSYSA-N 1 2 289.365 -1.647 20 0 CAADLO Cn1c[nH+]cc1CNC(=O)NC[C@H](O)CS(C)(=O)=O ZINC001434831674 891142833 /nfs/dbraw/zinc/14/28/33/891142833.db2.gz VOLFSLLTNRDESC-VIFPVBQESA-N 1 2 290.345 -1.375 20 0 CAADLO Cn1c[nH+]cc1CNC(=O)N1CC(S(N)(=O)=O)C1 ZINC001434830386 891143933 /nfs/dbraw/zinc/14/39/33/891143933.db2.gz HYTGCLXEAOJEKW-UHFFFAOYSA-N 1 2 273.318 -1.398 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CC[C@@H]1CN(C)C(=O)Cn1cncn1 ZINC001436331826 891148206 /nfs/dbraw/zinc/14/82/06/891148206.db2.gz OXKYCQVDPHNTFZ-VHSXEESVSA-N 1 2 280.332 -1.315 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CC[C@@H]1CN(C)C(=O)Cn1cncn1 ZINC001436331826 891148214 /nfs/dbraw/zinc/14/82/14/891148214.db2.gz OXKYCQVDPHNTFZ-VHSXEESVSA-N 1 2 280.332 -1.315 20 0 CAADLO C[C@@H](C(N)=O)[NH+]1CCN(CCNC(=O)C(F)F)CC1 ZINC001436699676 891152711 /nfs/dbraw/zinc/15/27/11/891152711.db2.gz OKUGJEBCRKEMAW-QMMMGPOBSA-N 1 2 278.303 -1.141 20 0 CAADLO CNC(=O)NC(=O)C[N@@H+]1CCC[C@H](NC(=O)COC)C1 ZINC001436696656 891152803 /nfs/dbraw/zinc/15/28/03/891152803.db2.gz FXDVPNJIGXSVSY-VIFPVBQESA-N 1 2 286.332 -1.331 20 0 CAADLO CNC(=O)NC(=O)C[N@H+]1CCC[C@H](NC(=O)COC)C1 ZINC001436696656 891152808 /nfs/dbraw/zinc/15/28/08/891152808.db2.gz FXDVPNJIGXSVSY-VIFPVBQESA-N 1 2 286.332 -1.331 20 0 CAADLO CNC(=O)NC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCO2)C1 ZINC001436718165 891153142 /nfs/dbraw/zinc/15/31/42/891153142.db2.gz BYHGGUIQUIABEN-UWVGGRQHSA-N 1 2 298.343 -1.189 20 0 CAADLO CNC(=O)NC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCO2)C1 ZINC001436718165 891153144 /nfs/dbraw/zinc/15/31/44/891153144.db2.gz BYHGGUIQUIABEN-UWVGGRQHSA-N 1 2 298.343 -1.189 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)CCc2nnc[nH]2)C1 ZINC001436722411 891153861 /nfs/dbraw/zinc/15/38/61/891153861.db2.gz JADMCVBMTAZTHC-DTWKUNHWSA-N 1 2 280.332 -1.198 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)CCc2nnc[nH]2)C1 ZINC001436722411 891153869 /nfs/dbraw/zinc/15/38/69/891153869.db2.gz JADMCVBMTAZTHC-DTWKUNHWSA-N 1 2 280.332 -1.198 20 0 CAADLO CNC(=O)NC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCO2)C1 ZINC001436718168 891154641 /nfs/dbraw/zinc/15/46/41/891154641.db2.gz BYHGGUIQUIABEN-VHSXEESVSA-N 1 2 298.343 -1.189 20 0 CAADLO CNC(=O)NC(=O)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCCO2)C1 ZINC001436718168 891154645 /nfs/dbraw/zinc/15/46/45/891154645.db2.gz BYHGGUIQUIABEN-VHSXEESVSA-N 1 2 298.343 -1.189 20 0 CAADLO O=C(NCCN1CC[NH+]([C@H]2CCNC2=O)CC1)C(F)F ZINC001436700696 891154789 /nfs/dbraw/zinc/15/47/89/891154789.db2.gz VWZLFLWISRESNW-VIFPVBQESA-N 1 2 290.314 -1.126 20 0 CAADLO C[C@H](NC(N)=O)C(=O)N[C@H]1C[C@H]([NH2+]Cc2nnn(C)n2)C1 ZINC001436888483 891155868 /nfs/dbraw/zinc/15/58/68/891155868.db2.gz KJHJBNIIBXXPEL-FXQIFTODSA-N 1 2 296.335 -1.996 20 0 CAADLO CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CC(=O)N(C)C2)C1 ZINC001436732102 891156171 /nfs/dbraw/zinc/15/61/71/891156171.db2.gz YQRTXYBLTBPSIF-QWRGUYRKSA-N 1 2 296.371 -1.209 20 0 CAADLO CCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@H]2CC(=O)N(C)C2)C1 ZINC001436732102 891156180 /nfs/dbraw/zinc/15/61/80/891156180.db2.gz YQRTXYBLTBPSIF-QWRGUYRKSA-N 1 2 296.371 -1.209 20 0 CAADLO CC(=O)N(C)CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2nnn(C)n2)C1 ZINC001436939927 891159332 /nfs/dbraw/zinc/15/93/32/891159332.db2.gz LPHBYVDZHRFQFC-AOOOYVTPSA-N 1 2 295.347 -1.575 20 0 CAADLO C[C@@H](CNC(=O)[C@H]1CCCO1)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001437101446 891161036 /nfs/dbraw/zinc/16/10/36/891161036.db2.gz PXMGAOIASSXWSN-DTWKUNHWSA-N 1 2 283.332 -1.118 20 0 CAADLO C[C@H](CNC(=O)[C@@H]1CCOC1)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001437114034 891161867 /nfs/dbraw/zinc/16/18/67/891161867.db2.gz OJWKOEMHKWSPGH-RKDXNWHRSA-N 1 2 283.332 -1.261 20 0 CAADLO C[C@@H](CNC(=O)c1cnns1)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001437114324 891162225 /nfs/dbraw/zinc/16/22/25/891162225.db2.gz UXMUWCQGZYEHIZ-LURJTMIESA-N 1 2 297.344 -1.132 20 0 CAADLO C[C@@H](CNC(=O)[C@@H]1CCCO1)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001437101448 891162248 /nfs/dbraw/zinc/16/22/48/891162248.db2.gz PXMGAOIASSXWSN-IUCAKERBSA-N 1 2 283.332 -1.118 20 0 CAADLO C[C@H](CNC(=O)[C@@H]1CCCO1)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001437101428 891162944 /nfs/dbraw/zinc/16/29/44/891162944.db2.gz PXMGAOIASSXWSN-BDAKNGLRSA-N 1 2 283.332 -1.118 20 0 CAADLO C[C@@H](CNC(=O)Cc1ccon1)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001437132962 891164944 /nfs/dbraw/zinc/16/49/44/891164944.db2.gz YWOCUZUWVHBDNR-QMMMGPOBSA-N 1 2 294.315 -1.067 20 0 CAADLO C[C@H](CNC(=O)Cc1ccon1)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001437132954 891165964 /nfs/dbraw/zinc/16/59/64/891165964.db2.gz YWOCUZUWVHBDNR-MRVPVSSYSA-N 1 2 294.315 -1.067 20 0 CAADLO C[C@H](CNC(=O)c1csnn1)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001437187575 891168006 /nfs/dbraw/zinc/16/80/06/891168006.db2.gz KVORHNJOJLVEPE-ZCFIWIBFSA-N 1 2 297.344 -1.132 20 0 CAADLO C[C@@H](CNC(=O)c1n[nH]cc1F)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001437194957 891168546 /nfs/dbraw/zinc/16/85/46/891168546.db2.gz RNROMTFMFQKKSD-LURJTMIESA-N 1 2 297.294 -1.121 20 0 CAADLO C[C@@H](CNC(=O)[C@H]1CNC(=O)N1)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001437197209 891168639 /nfs/dbraw/zinc/16/86/39/891168639.db2.gz PRHWIPWCUVXFSD-NKWVEPMBSA-N 1 2 297.319 -2.616 20 0 CAADLO C[C@H](CNC(=O)Cn1cc[nH+]c1)NCc1nnn(C)n1 ZINC001437270529 891171145 /nfs/dbraw/zinc/17/11/45/891171145.db2.gz ILDJESWMTUVKJS-SECBINFHSA-N 1 2 278.320 -1.299 20 0 CAADLO C[C@@H](CNC(=O)Cn1cc[nH+]c1)NCc1nnn(C)n1 ZINC001437270533 891171219 /nfs/dbraw/zinc/17/12/19/891171219.db2.gz ILDJESWMTUVKJS-VIFPVBQESA-N 1 2 278.320 -1.299 20 0 CAADLO CCNC(=O)CCC(=O)NCC[N@H+](C)CC(=O)NC ZINC001437447239 891177208 /nfs/dbraw/zinc/17/72/08/891177208.db2.gz HCXPXSDTSNVWAU-UHFFFAOYSA-N 1 2 272.349 -1.303 20 0 CAADLO CCNC(=O)CCC(=O)NCC[N@@H+](C)CC(=O)NC ZINC001437447239 891177211 /nfs/dbraw/zinc/17/72/11/891177211.db2.gz HCXPXSDTSNVWAU-UHFFFAOYSA-N 1 2 272.349 -1.303 20 0 CAADLO COC(=O)[C@@H]1C[C@H]1C(=O)NCC[N@H+](C)CC(=O)N(C)C ZINC001437451706 891177849 /nfs/dbraw/zinc/17/78/49/891177849.db2.gz QPIBGTSGTQHTCZ-NXEZZACHSA-N 1 2 285.344 -1.068 20 0 CAADLO COC(=O)[C@@H]1C[C@H]1C(=O)NCC[N@@H+](C)CC(=O)N(C)C ZINC001437451706 891177858 /nfs/dbraw/zinc/17/78/58/891177858.db2.gz QPIBGTSGTQHTCZ-NXEZZACHSA-N 1 2 285.344 -1.068 20 0 CAADLO CN(C)C(=O)C[N@H+](C)CCNC(=O)C[C@H]1CCN(C)C1=O ZINC001437478726 891179484 /nfs/dbraw/zinc/17/94/84/891179484.db2.gz TWRLLIDOTHNZCQ-LLVKDONJSA-N 1 2 298.387 -1.009 20 0 CAADLO CN(C)C(=O)C[N@@H+](C)CCNC(=O)C[C@H]1CCN(C)C1=O ZINC001437478726 891179491 /nfs/dbraw/zinc/17/94/91/891179491.db2.gz TWRLLIDOTHNZCQ-LLVKDONJSA-N 1 2 298.387 -1.009 20 0 CAADLO CNC(=O)C[N@H+](C)CCNC(=O)[C@]1(C)CCC(=O)N1 ZINC001437513917 891179897 /nfs/dbraw/zinc/17/98/97/891179897.db2.gz DJRCWCPHKBUFTA-LBPRGKRZSA-N 1 2 270.333 -1.551 20 0 CAADLO CNC(=O)C[N@@H+](C)CCNC(=O)[C@]1(C)CCC(=O)N1 ZINC001437513917 891179903 /nfs/dbraw/zinc/17/99/03/891179903.db2.gz DJRCWCPHKBUFTA-LBPRGKRZSA-N 1 2 270.333 -1.551 20 0 CAADLO CN(C)C(=O)C[N@H+](C)CCNC(=O)CO[C@H]1CCOC1 ZINC001437465088 891180080 /nfs/dbraw/zinc/18/00/80/891180080.db2.gz XYPSXVRGOYRCKU-NSHDSACASA-N 1 2 287.360 -1.072 20 0 CAADLO CN(C)C(=O)C[N@@H+](C)CCNC(=O)CO[C@H]1CCOC1 ZINC001437465088 891180086 /nfs/dbraw/zinc/18/00/86/891180086.db2.gz XYPSXVRGOYRCKU-NSHDSACASA-N 1 2 287.360 -1.072 20 0 CAADLO CCNC(=O)C[N@H+](C)CCNC(=O)c1cc(=O)n(C)cn1 ZINC001437486258 891180179 /nfs/dbraw/zinc/18/01/79/891180179.db2.gz XYMLEIRMMLNKAW-UHFFFAOYSA-N 1 2 295.343 -1.422 20 0 CAADLO CCNC(=O)C[N@@H+](C)CCNC(=O)c1cc(=O)n(C)cn1 ZINC001437486258 891180187 /nfs/dbraw/zinc/18/01/87/891180187.db2.gz XYMLEIRMMLNKAW-UHFFFAOYSA-N 1 2 295.343 -1.422 20 0 CAADLO CCN1C[C@@H](C(=O)NCC[N@H+](C)CC(=O)NC)CC1=O ZINC001437469578 891180577 /nfs/dbraw/zinc/18/05/77/891180577.db2.gz CMMILKZCWVHKIH-JTQLQIEISA-N 1 2 284.360 -1.351 20 0 CAADLO CCN1C[C@@H](C(=O)NCC[N@@H+](C)CC(=O)NC)CC1=O ZINC001437469578 891180583 /nfs/dbraw/zinc/18/05/83/891180583.db2.gz CMMILKZCWVHKIH-JTQLQIEISA-N 1 2 284.360 -1.351 20 0 CAADLO C[N@H+](CCNC(=O)c1cn[nH]n1)CC(=O)NCC1CC1 ZINC001437483948 891180698 /nfs/dbraw/zinc/18/06/98/891180698.db2.gz WQBFLKGYCOIIBJ-UHFFFAOYSA-N 1 2 280.332 -1.008 20 0 CAADLO C[N@@H+](CCNC(=O)c1cn[nH]n1)CC(=O)NCC1CC1 ZINC001437483948 891180703 /nfs/dbraw/zinc/18/07/03/891180703.db2.gz WQBFLKGYCOIIBJ-UHFFFAOYSA-N 1 2 280.332 -1.008 20 0 CAADLO CN(C)C(=O)C[N@H+](C)CCNC(=O)C[C@@H]1CCN(C)C1=O ZINC001437478727 891180765 /nfs/dbraw/zinc/18/07/65/891180765.db2.gz TWRLLIDOTHNZCQ-NSHDSACASA-N 1 2 298.387 -1.009 20 0 CAADLO CN(C)C(=O)C[N@@H+](C)CCNC(=O)C[C@@H]1CCN(C)C1=O ZINC001437478727 891180770 /nfs/dbraw/zinc/18/07/70/891180770.db2.gz TWRLLIDOTHNZCQ-NSHDSACASA-N 1 2 298.387 -1.009 20 0 CAADLO CN1C[C@H](C(=O)NCC[N@H+](C)CC(=O)NC2CC2)CC1=O ZINC001437474029 891180948 /nfs/dbraw/zinc/18/09/48/891180948.db2.gz XMUAOWCTCFECGE-SNVBAGLBSA-N 1 2 296.371 -1.209 20 0 CAADLO CN1C[C@H](C(=O)NCC[N@@H+](C)CC(=O)NC2CC2)CC1=O ZINC001437474029 891180955 /nfs/dbraw/zinc/18/09/55/891180955.db2.gz XMUAOWCTCFECGE-SNVBAGLBSA-N 1 2 296.371 -1.209 20 0 CAADLO CN(C)C(=O)C[N@H+](C)CCNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001437505275 891180968 /nfs/dbraw/zinc/18/09/68/891180968.db2.gz IGSFJYVTIYRQMU-SECBINFHSA-N 1 2 285.348 -1.854 20 0 CAADLO CN(C)C(=O)C[N@@H+](C)CCNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001437505275 891180972 /nfs/dbraw/zinc/18/09/72/891180972.db2.gz IGSFJYVTIYRQMU-SECBINFHSA-N 1 2 285.348 -1.854 20 0 CAADLO CN(C)C(=O)C[N@@H+](C)CCNC(=O)c1cn[nH]c(=O)c1 ZINC001437476494 891181220 /nfs/dbraw/zinc/18/12/20/891181220.db2.gz IVDLFLMQUNKNNN-UHFFFAOYSA-N 1 2 281.316 -1.068 20 0 CAADLO CN(C)C(=O)C[N@H+](C)CCNC(=O)c1cn[nH]c(=O)c1 ZINC001437476494 891181212 /nfs/dbraw/zinc/18/12/12/891181212.db2.gz IVDLFLMQUNKNNN-UHFFFAOYSA-N 1 2 281.316 -1.068 20 0 CAADLO Cn1nnc2cc(C(=O)NCC[N@H+](C)CC(N)=O)cnc21 ZINC001437496462 891181565 /nfs/dbraw/zinc/18/15/65/891181565.db2.gz SKWSMZUTTQCWCH-UHFFFAOYSA-N 1 2 291.315 -1.490 20 0 CAADLO Cn1nnc2cc(C(=O)NCC[N@@H+](C)CC(N)=O)cnc21 ZINC001437496462 891181569 /nfs/dbraw/zinc/18/15/69/891181569.db2.gz SKWSMZUTTQCWCH-UHFFFAOYSA-N 1 2 291.315 -1.490 20 0 CAADLO CO[C@H](C(=O)NCC[N@H+](C)CC(N)=O)[C@@H]1CCOC1 ZINC001437497568 891181695 /nfs/dbraw/zinc/18/16/95/891181695.db2.gz DCOUHKSKGWDDJZ-KOLCDFICSA-N 1 2 273.333 -1.429 20 0 CAADLO CO[C@H](C(=O)NCC[N@@H+](C)CC(N)=O)[C@@H]1CCOC1 ZINC001437497568 891181705 /nfs/dbraw/zinc/18/17/05/891181705.db2.gz DCOUHKSKGWDDJZ-KOLCDFICSA-N 1 2 273.333 -1.429 20 0 CAADLO CN(C)C(=O)C[N@H+](C)CCNC(=O)[C@H]1CC[C@@H]1C(N)=O ZINC001437512194 891181898 /nfs/dbraw/zinc/18/18/98/891181898.db2.gz ULFJCZNQJVMPQY-UWVGGRQHSA-N 1 2 284.360 -1.366 20 0 CAADLO CN(C)C(=O)C[N@@H+](C)CCNC(=O)[C@H]1CC[C@@H]1C(N)=O ZINC001437512194 891181902 /nfs/dbraw/zinc/18/19/02/891181902.db2.gz ULFJCZNQJVMPQY-UWVGGRQHSA-N 1 2 284.360 -1.366 20 0 CAADLO CNC(=O)C[N@H+](C)CCNC(=O)c1cn2c(n1)COCC2 ZINC001437480361 891181922 /nfs/dbraw/zinc/18/19/22/891181922.db2.gz CHJJTCXVJUDVNP-UHFFFAOYSA-N 1 2 295.343 -1.179 20 0 CAADLO CNC(=O)C[N@@H+](C)CCNC(=O)c1cn2c(n1)COCC2 ZINC001437480361 891181924 /nfs/dbraw/zinc/18/19/24/891181924.db2.gz CHJJTCXVJUDVNP-UHFFFAOYSA-N 1 2 295.343 -1.179 20 0 CAADLO CNC(=O)C[N@H+](C)CCNC(=O)[C@]1(C)CCNC(=O)C1 ZINC001437479546 891182012 /nfs/dbraw/zinc/18/20/12/891182012.db2.gz ABCCPTDFTJGDIT-CYBMUJFWSA-N 1 2 284.360 -1.303 20 0 CAADLO CNC(=O)C[N@@H+](C)CCNC(=O)[C@]1(C)CCNC(=O)C1 ZINC001437479546 891182019 /nfs/dbraw/zinc/18/20/19/891182019.db2.gz ABCCPTDFTJGDIT-CYBMUJFWSA-N 1 2 284.360 -1.303 20 0 CAADLO CNC(=O)C[N@H+](C)CCNC(=O)C[C@@H]1CCC(=O)N1 ZINC001437529363 891183373 /nfs/dbraw/zinc/18/33/73/891183373.db2.gz DUHATVXRGUPCJC-VIFPVBQESA-N 1 2 270.333 -1.551 20 0 CAADLO CNC(=O)C[N@@H+](C)CCNC(=O)C[C@@H]1CCC(=O)N1 ZINC001437529363 891183377 /nfs/dbraw/zinc/18/33/77/891183377.db2.gz DUHATVXRGUPCJC-VIFPVBQESA-N 1 2 270.333 -1.551 20 0 CAADLO C[C@H](C(=O)NCC[N@H+](C)CC(N)=O)[C@H]1CCC(=O)N1 ZINC001437518095 891183456 /nfs/dbraw/zinc/18/34/56/891183456.db2.gz KHUQRMHEXMPTBR-DTWKUNHWSA-N 1 2 270.333 -1.566 20 0 CAADLO C[C@H](C(=O)NCC[N@@H+](C)CC(N)=O)[C@H]1CCC(=O)N1 ZINC001437518095 891183464 /nfs/dbraw/zinc/18/34/64/891183464.db2.gz KHUQRMHEXMPTBR-DTWKUNHWSA-N 1 2 270.333 -1.566 20 0 CAADLO CNC(=O)C[N@H+](C)CCNC(=O)[C@H]1CC[C@@H](C(N)=O)C1 ZINC001437517827 891184207 /nfs/dbraw/zinc/18/42/07/891184207.db2.gz STKCRFSMRHAPIF-ZJUUUORDSA-N 1 2 284.360 -1.318 20 0 CAADLO CNC(=O)C[N@@H+](C)CCNC(=O)[C@H]1CC[C@@H](C(N)=O)C1 ZINC001437517827 891184226 /nfs/dbraw/zinc/18/42/26/891184226.db2.gz STKCRFSMRHAPIF-ZJUUUORDSA-N 1 2 284.360 -1.318 20 0 CAADLO CCN(C)C(=O)C[N@H+](C)CCNC(=O)[C@@H]1CCC(=O)N1 ZINC001437557407 891185006 /nfs/dbraw/zinc/18/50/06/891185006.db2.gz QVJXTAKEJDKPMS-JTQLQIEISA-N 1 2 284.360 -1.209 20 0 CAADLO CCN(C)C(=O)C[N@@H+](C)CCNC(=O)[C@@H]1CCC(=O)N1 ZINC001437557407 891185012 /nfs/dbraw/zinc/18/50/12/891185012.db2.gz QVJXTAKEJDKPMS-JTQLQIEISA-N 1 2 284.360 -1.209 20 0 CAADLO CNC(=O)C[N@H+](C)CCNC(=O)[C@@H]1CCCN1C(N)=O ZINC001437569833 891185155 /nfs/dbraw/zinc/18/51/55/891185155.db2.gz XYJPYULVIMRKBC-VIFPVBQESA-N 1 2 285.348 -1.677 20 0 CAADLO CNC(=O)C[N@@H+](C)CCNC(=O)[C@@H]1CCCN1C(N)=O ZINC001437569833 891185160 /nfs/dbraw/zinc/18/51/60/891185160.db2.gz XYJPYULVIMRKBC-VIFPVBQESA-N 1 2 285.348 -1.677 20 0 CAADLO C[C@H](C(=O)NCC[N@H+](C)CC(N)=O)[C@@H]1CCC(=O)N1 ZINC001437518096 891185926 /nfs/dbraw/zinc/18/59/26/891185926.db2.gz KHUQRMHEXMPTBR-IUCAKERBSA-N 1 2 270.333 -1.566 20 0 CAADLO C[C@H](C(=O)NCC[N@@H+](C)CC(N)=O)[C@@H]1CCC(=O)N1 ZINC001437518096 891185932 /nfs/dbraw/zinc/18/59/32/891185932.db2.gz KHUQRMHEXMPTBR-IUCAKERBSA-N 1 2 270.333 -1.566 20 0 CAADLO C[C@]1(C(=O)NC[C@@H]2CCC[N@@H+]2CC(N)=O)CCNC(=O)C1 ZINC001437678697 891187602 /nfs/dbraw/zinc/18/76/02/891187602.db2.gz KLPKOAHFUMMBRV-HZMBPMFUSA-N 1 2 296.371 -1.031 20 0 CAADLO C[C@]1(C(=O)NC[C@@H]2CCC[N@H+]2CC(N)=O)CCNC(=O)C1 ZINC001437678697 891187606 /nfs/dbraw/zinc/18/76/06/891187606.db2.gz KLPKOAHFUMMBRV-HZMBPMFUSA-N 1 2 296.371 -1.031 20 0 CAADLO CNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)Cc1nnc[nH]1 ZINC001437689498 891189878 /nfs/dbraw/zinc/18/98/78/891189878.db2.gz WISNJNDHVDCGJO-SECBINFHSA-N 1 2 280.332 -1.326 20 0 CAADLO CNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)Cc1nnc[nH]1 ZINC001437689498 891189881 /nfs/dbraw/zinc/18/98/81/891189881.db2.gz WISNJNDHVDCGJO-SECBINFHSA-N 1 2 280.332 -1.326 20 0 CAADLO CCC(=O)NCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)NC ZINC001437868716 891196788 /nfs/dbraw/zinc/19/67/88/891196788.db2.gz BQGRHTGKCSJTTC-PHIMTYICSA-N 1 2 296.371 -1.066 20 0 CAADLO CCC(=O)NCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)NC ZINC001437868716 891196791 /nfs/dbraw/zinc/19/67/91/891196791.db2.gz BQGRHTGKCSJTTC-PHIMTYICSA-N 1 2 296.371 -1.066 20 0 CAADLO COCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2[C@H](C)C(=O)NC(N)=O ZINC001437866863 891197322 /nfs/dbraw/zinc/19/73/22/891197322.db2.gz BSGFQGCZQBZRQV-BBBLOLIVSA-N 1 2 298.343 -1.109 20 0 CAADLO COCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H](C)C(=O)NC(N)=O ZINC001437866863 891197333 /nfs/dbraw/zinc/19/73/33/891197333.db2.gz BSGFQGCZQBZRQV-BBBLOLIVSA-N 1 2 298.343 -1.109 20 0 CAADLO Cn1cc(CCC(=O)N[C@@H]2CCC[N@H+](CC(N)=O)C2)nn1 ZINC001438025489 891199596 /nfs/dbraw/zinc/19/95/96/891199596.db2.gz XPTGXWRDRPPSET-SNVBAGLBSA-N 1 2 294.359 -1.186 20 0 CAADLO Cn1cc(CCC(=O)N[C@@H]2CCC[N@@H+](CC(N)=O)C2)nn1 ZINC001438025489 891199602 /nfs/dbraw/zinc/19/96/02/891199602.db2.gz XPTGXWRDRPPSET-SNVBAGLBSA-N 1 2 294.359 -1.186 20 0 CAADLO CC(=O)NCC(=O)NC1C[NH+](CCCN2CCCC2=O)C1 ZINC001438040548 891199841 /nfs/dbraw/zinc/19/98/41/891199841.db2.gz YQQIILPRROEKME-UHFFFAOYSA-N 1 2 296.371 -1.065 20 0 CAADLO CC(=O)N[C@@H](CC(=O)NC1C[NH+](CCO)C1)C(N)=O ZINC001438078167 891202560 /nfs/dbraw/zinc/20/25/60/891202560.db2.gz PNLLDKVEZQDRLY-VIFPVBQESA-N 1 2 272.305 -2.841 20 0 CAADLO COCC[NH+]1CC(NC(=O)COCc2nncn2C)C1 ZINC001438081894 891204074 /nfs/dbraw/zinc/20/40/74/891204074.db2.gz YUDYKPGMYCZWIN-UHFFFAOYSA-N 1 2 283.332 -1.222 20 0 CAADLO COC[C@H](OC)C(=O)NCC1C[NH+](CC(=O)NC2CC2)C1 ZINC001438139782 891205368 /nfs/dbraw/zinc/20/53/68/891205368.db2.gz UUVGWZOFJJAATE-LBPRGKRZSA-N 1 2 299.371 -1.026 20 0 CAADLO CNC(=O)CCCC(=O)NCC1C[NH+]([C@H](C)C(N)=O)C1 ZINC001438109832 891205433 /nfs/dbraw/zinc/20/54/33/891205433.db2.gz FBUAARYWYUBRFK-SECBINFHSA-N 1 2 284.360 -1.176 20 0 CAADLO C[C@@H](C(=O)NCC1C[NH+]([C@@H]2CCNC2=O)C1)n1cncn1 ZINC001438109488 891205547 /nfs/dbraw/zinc/20/55/47/891205547.db2.gz CTHLZRXYUNPWTH-GXSJLCMTSA-N 1 2 292.343 -1.224 20 0 CAADLO CNC(=O)C[NH+]1CC(CNC(=O)[C@@H](C)[C@H]2CCC(=O)N2)C1 ZINC001438145960 891205608 /nfs/dbraw/zinc/20/56/08/891205608.db2.gz RQCKEOYGHTZJBH-GXSJLCMTSA-N 1 2 296.371 -1.305 20 0 CAADLO COC[C@@H](OC)C(=O)NCC1C[NH+](CC(=O)NC2CC2)C1 ZINC001438139779 891205855 /nfs/dbraw/zinc/20/58/55/891205855.db2.gz UUVGWZOFJJAATE-GFCCVEGCSA-N 1 2 299.371 -1.026 20 0 CAADLO C[C@@H](C(=O)NC(N)=O)[NH+]1CC(CNC(=O)c2cnco2)C1 ZINC001438132141 891205959 /nfs/dbraw/zinc/20/59/59/891205959.db2.gz DUPOXQSFPKZUGC-ZETCQYMHSA-N 1 2 295.299 -1.080 20 0 CAADLO C[C@H](C(N)=O)[NH+]1CC(CNC(=O)[C@]2(C)CCC(=O)N2)C1 ZINC001438133969 891206425 /nfs/dbraw/zinc/20/64/25/891206425.db2.gz ABWZPLRROBNOFN-OQPBUACISA-N 1 2 282.344 -1.423 20 0 CAADLO CC[C@H](C[NH+]1CC(NC(=O)CS(=O)(=O)NC)C1)OC ZINC001438099947 891206490 /nfs/dbraw/zinc/20/64/90/891206490.db2.gz OXRSHSXURLKGHV-SNVBAGLBSA-N 1 2 293.389 -1.239 20 0 CAADLO CCOCC(=O)NCC1C[NH+]([C@@H](C)C(=O)NC(N)=O)C1 ZINC001438110977 891206644 /nfs/dbraw/zinc/20/66/44/891206644.db2.gz DWKLYQOXWFTJLR-QMMMGPOBSA-N 1 2 286.332 -1.346 20 0 CAADLO CCNC(=O)C[NH+]1CC(CNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001438134178 891206926 /nfs/dbraw/zinc/20/69/26/891206926.db2.gz NMWFIVQOYFIHIY-VIFPVBQESA-N 1 2 283.332 -2.148 20 0 CAADLO COCC(=O)NCC1C[NH+](CC(=O)NC(=O)NC2CC2)C1 ZINC001438104404 891206985 /nfs/dbraw/zinc/20/69/85/891206985.db2.gz VSAPCIYTKRKZCG-UHFFFAOYSA-N 1 2 298.343 -1.331 20 0 CAADLO CCOCC(=O)NCC1C[NH+]([C@H](C)C(=O)NC(N)=O)C1 ZINC001438110975 891207011 /nfs/dbraw/zinc/20/70/11/891207011.db2.gz DWKLYQOXWFTJLR-MRVPVSSYSA-N 1 2 286.332 -1.346 20 0 CAADLO C[C@H](C(N)=O)[NH+]1CC(CNC(=O)C[C@@H]2CCC(=O)NC2)C1 ZINC001438117649 891207380 /nfs/dbraw/zinc/20/73/80/891207380.db2.gz DTPGRBOHRBFPEY-ZJUUUORDSA-N 1 2 296.371 -1.176 20 0 CAADLO C[C@H](C(=O)NC(N)=O)[NH+]1CC(CNC(=O)C(F)F)C1 ZINC001438106969 891207415 /nfs/dbraw/zinc/20/74/15/891207415.db2.gz UGCIRXVRHIBLPT-RXMQYKEDSA-N 1 2 278.259 -1.117 20 0 CAADLO O=C(Cn1ncnn1)NCC1C[NH+](CC(=O)NC2CC2)C1 ZINC001438124882 891207467 /nfs/dbraw/zinc/20/74/67/891207467.db2.gz XNTDKORYNIFAGO-UHFFFAOYSA-N 1 2 293.331 -2.000 20 0 CAADLO CCC(=O)NCC(=O)NCC1C[NH+]([C@@H]2CCNC2=O)C1 ZINC001438113967 891207952 /nfs/dbraw/zinc/20/79/52/891207952.db2.gz QSLGTQNHTBCSBW-SNVBAGLBSA-N 1 2 282.344 -1.551 20 0 CAADLO CCC(=O)N[C@@H](C)C(=O)NCC1C[NH+](CC(N)=O)C1 ZINC001438124782 891208077 /nfs/dbraw/zinc/20/80/77/891208077.db2.gz WTPWPQVDPIZLLT-QMMMGPOBSA-N 1 2 270.333 -1.566 20 0 CAADLO CCC(=O)NCC(=O)NCC1C[NH+]([C@H]2CCNC2=O)C1 ZINC001438113964 891208112 /nfs/dbraw/zinc/20/81/12/891208112.db2.gz QSLGTQNHTBCSBW-JTQLQIEISA-N 1 2 282.344 -1.551 20 0 CAADLO C[C@H](C(N)=O)[NH+]1CC(CNC(=O)C[C@H]2COC(=O)C2)C1 ZINC001438116221 891208144 /nfs/dbraw/zinc/20/81/44/891208144.db2.gz WTHVLQYHOJMLFT-RKDXNWHRSA-N 1 2 283.328 -1.139 20 0 CAADLO CNC(=O)C[NH+]1CC(CNC(=O)[C@H](C)n2cncn2)C1 ZINC001438112375 891208181 /nfs/dbraw/zinc/20/81/81/891208181.db2.gz HGAJSXLZJUTUCG-VIFPVBQESA-N 1 2 280.332 -1.367 20 0 CAADLO CCNC(=O)C[NH+]1CC(CNC(=O)CCn2ccnn2)C1 ZINC001438110513 891208252 /nfs/dbraw/zinc/20/82/52/891208252.db2.gz GRVVMQSFGUJNSF-UHFFFAOYSA-N 1 2 294.359 -1.148 20 0 CAADLO CCCNC(=O)C[NH+]1CC(CNC(=O)CNC(=O)NC)C1 ZINC001438121872 891208420 /nfs/dbraw/zinc/20/84/20/891208420.db2.gz VQGITTUDLAFDKX-UHFFFAOYSA-N 1 2 299.375 -1.510 20 0 CAADLO C[C@H](C(N)=O)[NH+]1CC(CNC(=O)Cc2cncn2C)C1 ZINC001438155434 891209384 /nfs/dbraw/zinc/20/93/84/891209384.db2.gz DLMPLPXISGNIHD-SECBINFHSA-N 1 2 279.344 -1.116 20 0 CAADLO CC(C)(C)[C@H](NC(N)=O)C(=O)N[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001438214081 891209960 /nfs/dbraw/zinc/20/99/60/891209960.db2.gz ICDVJNKEGCLZIK-PSASIEDQSA-N 1 2 299.375 -1.255 20 0 CAADLO CC(C)(C)[C@H](NC(N)=O)C(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001438214081 891209969 /nfs/dbraw/zinc/20/99/69/891209969.db2.gz ICDVJNKEGCLZIK-PSASIEDQSA-N 1 2 299.375 -1.255 20 0 CAADLO C[C@@H](C(N)=O)[NH+]1CC(CNC(=O)Cc2cncn2C)C1 ZINC001438155439 891210198 /nfs/dbraw/zinc/21/01/98/891210198.db2.gz DLMPLPXISGNIHD-VIFPVBQESA-N 1 2 279.344 -1.116 20 0 CAADLO CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC(=O)N2C)C1 ZINC001438192304 891210486 /nfs/dbraw/zinc/21/04/86/891210486.db2.gz MNTOQUAXDOKEFG-QWRGUYRKSA-N 1 2 296.371 -1.066 20 0 CAADLO CCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC(=O)N2C)C1 ZINC001438192304 891210498 /nfs/dbraw/zinc/21/04/98/891210498.db2.gz MNTOQUAXDOKEFG-QWRGUYRKSA-N 1 2 296.371 -1.066 20 0 CAADLO C[C@H](NC(N)=O)C(=O)N[C@H]1CC[N@@H+]([C@@H](C)C(N)=O)C1 ZINC001438183630 891210853 /nfs/dbraw/zinc/21/08/53/891210853.db2.gz LWVUVYOUXWWMBZ-FXQIFTODSA-N 1 2 271.321 -1.893 20 0 CAADLO C[C@H](NC(N)=O)C(=O)N[C@H]1CC[N@H+]([C@@H](C)C(N)=O)C1 ZINC001438183630 891210870 /nfs/dbraw/zinc/21/08/70/891210870.db2.gz LWVUVYOUXWWMBZ-FXQIFTODSA-N 1 2 271.321 -1.893 20 0 CAADLO CCN(C(=O)CNC(=O)NC)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001438265449 891210947 /nfs/dbraw/zinc/21/09/47/891210947.db2.gz MGPRBKAZBDYFOL-SECBINFHSA-N 1 2 285.348 -1.677 20 0 CAADLO CCN(C(=O)CNC(=O)NC)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001438265449 891210962 /nfs/dbraw/zinc/21/09/62/891210962.db2.gz MGPRBKAZBDYFOL-SECBINFHSA-N 1 2 285.348 -1.677 20 0 CAADLO CC(C)(C)[C@@H](NC(N)=O)C(=O)N[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001438214082 891213799 /nfs/dbraw/zinc/21/37/99/891213799.db2.gz ICDVJNKEGCLZIK-SCZZXKLOSA-N 1 2 299.375 -1.255 20 0 CAADLO CC(C)(C)[C@@H](NC(N)=O)C(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001438214082 891213821 /nfs/dbraw/zinc/21/38/21/891213821.db2.gz ICDVJNKEGCLZIK-SCZZXKLOSA-N 1 2 299.375 -1.255 20 0 CAADLO CC[C@H](CNC(=O)c1nnc[nH]1)[NH2+]Cc1nnnn1C ZINC001438352960 891216258 /nfs/dbraw/zinc/21/62/58/891216258.db2.gz RGPHUKRWWLOXNE-SSDOTTSWSA-N 1 2 279.308 -1.374 20 0 CAADLO C[C@@H](CNC(=O)c1nc[nH]n1)C[NH2+]Cc1nnnn1C ZINC001438536466 891220951 /nfs/dbraw/zinc/22/09/51/891220951.db2.gz PMIDRYWIKMJTMM-SSDOTTSWSA-N 1 2 279.308 -1.516 20 0 CAADLO C[C@@]1(C(=O)NC[C@H]2C[N@H+](CCO)CCO2)CCC(=O)NC1 ZINC001438574386 891224198 /nfs/dbraw/zinc/22/41/98/891224198.db2.gz HEYRXSKDIDFAFP-SMDDNHRTSA-N 1 2 299.371 -1.288 20 0 CAADLO C[C@@]1(C(=O)NC[C@H]2C[N@@H+](CCO)CCO2)CCC(=O)NC1 ZINC001438574386 891224217 /nfs/dbraw/zinc/22/42/17/891224217.db2.gz HEYRXSKDIDFAFP-SMDDNHRTSA-N 1 2 299.371 -1.288 20 0 CAADLO C[C@]1(C(=O)NC[C@@H]2C[N@H+](CCO)CCO2)CCC(=O)NC1 ZINC001438574385 891227411 /nfs/dbraw/zinc/22/74/11/891227411.db2.gz HEYRXSKDIDFAFP-RISCZKNCSA-N 1 2 299.371 -1.288 20 0 CAADLO C[C@]1(C(=O)NC[C@@H]2C[N@@H+](CCO)CCO2)CCC(=O)NC1 ZINC001438574385 891227425 /nfs/dbraw/zinc/22/74/25/891227425.db2.gz HEYRXSKDIDFAFP-RISCZKNCSA-N 1 2 299.371 -1.288 20 0 CAADLO CN(CC[N@H+](C)Cc1cncn1C)C(=O)Cn1ncnn1 ZINC001438875311 891233145 /nfs/dbraw/zinc/23/31/45/891233145.db2.gz VXCQRJKNIGRRRZ-UHFFFAOYSA-N 1 2 292.347 -1.003 20 0 CAADLO CN(CC[N@@H+](C)Cc1cncn1C)C(=O)Cn1ncnn1 ZINC001438875311 891233163 /nfs/dbraw/zinc/23/31/63/891233163.db2.gz VXCQRJKNIGRRRZ-UHFFFAOYSA-N 1 2 292.347 -1.003 20 0 CAADLO COc1nn(C)cc1C(=O)N(C)CC[N@H+](C)CC(N)=O ZINC001438898228 891234426 /nfs/dbraw/zinc/23/44/26/891234426.db2.gz LJQHXPZDINXGBG-UHFFFAOYSA-N 1 2 283.332 -1.082 20 0 CAADLO COc1nn(C)cc1C(=O)N(C)CC[N@@H+](C)CC(N)=O ZINC001438898228 891234437 /nfs/dbraw/zinc/23/44/37/891234437.db2.gz LJQHXPZDINXGBG-UHFFFAOYSA-N 1 2 283.332 -1.082 20 0 CAADLO CC[C@H](NC(C)=O)C(=O)N(C)CC[N@H+](C)CC(N)=O ZINC001438916069 891235021 /nfs/dbraw/zinc/23/50/21/891235021.db2.gz AFDVEALPZNLYIL-JTQLQIEISA-N 1 2 272.349 -1.223 20 0 CAADLO CC[C@H](NC(C)=O)C(=O)N(C)CC[N@@H+](C)CC(N)=O ZINC001438916069 891235037 /nfs/dbraw/zinc/23/50/37/891235037.db2.gz AFDVEALPZNLYIL-JTQLQIEISA-N 1 2 272.349 -1.223 20 0 CAADLO CN(CC[N@H+](C)CC(=O)NC1CC1)C(=O)c1nnn(C)n1 ZINC001438901800 891235118 /nfs/dbraw/zinc/23/51/18/891235118.db2.gz OENBPBDVDUYFPP-UHFFFAOYSA-N 1 2 295.347 -1.508 20 0 CAADLO CN(CC[N@@H+](C)CC(=O)NC1CC1)C(=O)c1nnn(C)n1 ZINC001438901800 891235136 /nfs/dbraw/zinc/23/51/36/891235136.db2.gz OENBPBDVDUYFPP-UHFFFAOYSA-N 1 2 295.347 -1.508 20 0 CAADLO CNS(=O)(=O)NCC(=O)N(C)CC[N@H+](C)CC(N)=O ZINC001438892106 891236622 /nfs/dbraw/zinc/23/66/22/891236622.db2.gz GNVWWBLSVLKHQJ-UHFFFAOYSA-N 1 2 295.365 -3.084 20 0 CAADLO CNS(=O)(=O)NCC(=O)N(C)CC[N@@H+](C)CC(N)=O ZINC001438892106 891236637 /nfs/dbraw/zinc/23/66/37/891236637.db2.gz GNVWWBLSVLKHQJ-UHFFFAOYSA-N 1 2 295.365 -3.084 20 0 CAADLO CC(=O)NCC(=O)N(C)CC[N@H+](C)Cc1nc(=O)n(C)[nH]1 ZINC001438846278 891236798 /nfs/dbraw/zinc/23/67/98/891236798.db2.gz KQZQTQKZZRBAQP-UHFFFAOYSA-N 1 2 298.347 -1.865 20 0 CAADLO CC(=O)NCC(=O)N(C)CC[N@@H+](C)Cc1nc(=O)n(C)[nH]1 ZINC001438846278 891236810 /nfs/dbraw/zinc/23/68/10/891236810.db2.gz KQZQTQKZZRBAQP-UHFFFAOYSA-N 1 2 298.347 -1.865 20 0 CAADLO COC(=O)[C@@H]1C[C@H]1C(=O)N(C)CC[N@H+](C)CC(N)=O ZINC001438861575 891237578 /nfs/dbraw/zinc/23/75/78/891237578.db2.gz MQZRAFXZRRHYLX-RKDXNWHRSA-N 1 2 271.317 -1.329 20 0 CAADLO COC(=O)[C@@H]1C[C@H]1C(=O)N(C)CC[N@@H+](C)CC(N)=O ZINC001438861575 891237592 /nfs/dbraw/zinc/23/75/92/891237592.db2.gz MQZRAFXZRRHYLX-RKDXNWHRSA-N 1 2 271.317 -1.329 20 0 CAADLO CNC(=O)C[N@H+](C)CCN(C)C(=O)[C@@H]1CCCN1C(N)=O ZINC001438939540 891239100 /nfs/dbraw/zinc/23/91/00/891239100.db2.gz CLVFOZABRHUPDM-JTQLQIEISA-N 1 2 299.375 -1.334 20 0 CAADLO CNC(=O)C[N@@H+](C)CCN(C)C(=O)[C@@H]1CCCN1C(N)=O ZINC001438939540 891239118 /nfs/dbraw/zinc/23/91/18/891239118.db2.gz CLVFOZABRHUPDM-JTQLQIEISA-N 1 2 299.375 -1.334 20 0 CAADLO CN(CC[N@H+](C)CC(N)=O)C(=O)c1cc(C(N)=O)c[nH]1 ZINC001438929973 891241988 /nfs/dbraw/zinc/24/19/88/891241988.db2.gz REHZWHCSMDKXAX-UHFFFAOYSA-N 1 2 281.316 -1.397 20 0 CAADLO CN(CC[N@@H+](C)CC(N)=O)C(=O)c1cc(C(N)=O)c[nH]1 ZINC001438929973 891241998 /nfs/dbraw/zinc/24/19/98/891241998.db2.gz REHZWHCSMDKXAX-UHFFFAOYSA-N 1 2 281.316 -1.397 20 0 CAADLO Cc1nnc(C[NH2+]C[C@@H](O)CNC(=O)C2=COCCO2)o1 ZINC001438960659 891246586 /nfs/dbraw/zinc/24/65/86/891246586.db2.gz VSTGSDZQDMNGBJ-SECBINFHSA-N 1 2 298.299 -1.167 20 0 CAADLO Cc1nnc(C[NH2+]C[C@H](O)CNC(=O)[C@H]2CCOC2)o1 ZINC001438973857 891250358 /nfs/dbraw/zinc/25/03/58/891250358.db2.gz VLOXICZSOWAQSA-UWVGGRQHSA-N 1 2 284.316 -1.019 20 0 CAADLO Cc1noc(C[NH2+]C[C@H](O)CNC(=O)c2cn(C)nn2)n1 ZINC001438981179 891255270 /nfs/dbraw/zinc/25/52/70/891255270.db2.gz IVMRNUQDWZYMKS-QMMMGPOBSA-N 1 2 295.303 -1.613 20 0 CAADLO Cn1cnc(C(=O)NC[C@H](O)C[NH2+]Cc2cnsn2)n1 ZINC001438987084 891256196 /nfs/dbraw/zinc/25/61/96/891256196.db2.gz URHNZEBNKRJAMF-MRVPVSSYSA-N 1 2 297.344 -1.453 20 0 CAADLO CNC(=O)C[NH2+]C[C@@H](O)CNC(=O)c1[nH]nc2c1CCC2 ZINC001439001353 891260915 /nfs/dbraw/zinc/26/09/15/891260915.db2.gz MKVBVYCVYBJHHG-MRVPVSSYSA-N 1 2 295.343 -1.675 20 0 CAADLO O=C(NC[C@@H](O)C[NH2+]Cc1cnsn1)[C@H]1[C@@H]2COC[C@@H]21 ZINC001439026049 891270864 /nfs/dbraw/zinc/27/08/64/891270864.db2.gz RRJOURBRFCHVHJ-UKKRHICBSA-N 1 2 298.368 -1.003 20 0 CAADLO O=C(Cc1nc[nH]n1)NC[C@H](O)C[NH2+]Cc1ncccn1 ZINC001439036618 891275944 /nfs/dbraw/zinc/27/59/44/891275944.db2.gz FWJBDBSHOPMHGE-SECBINFHSA-N 1 2 291.315 -1.596 20 0 CAADLO Cc1nnc(C[NH2+]C[C@H](O)CNC(=O)c2cnn(C)n2)o1 ZINC001439034873 891276433 /nfs/dbraw/zinc/27/64/33/891276433.db2.gz RRQSEJFIGGMKSB-QMMMGPOBSA-N 1 2 295.303 -1.613 20 0 CAADLO C[C@H](C[NH2+]Cc1cnsn1)NC(=O)[C@@H]1CNC(=O)N1 ZINC001439144965 891286405 /nfs/dbraw/zinc/28/64/05/891286405.db2.gz BVLVJROSFKIHFE-SVRRBLITSA-N 1 2 284.345 -1.186 20 0 CAADLO C[C@@H](C[NH2+]Cc1nnnn1C)NC(=O)CS(C)(=O)=O ZINC001439199916 891291290 /nfs/dbraw/zinc/29/12/90/891291290.db2.gz LIGHLXQMMVCNKD-ZETCQYMHSA-N 1 2 290.349 -2.151 20 0 CAADLO C[C@@H](C[NH2+]Cc1nc(=O)n(C)[nH]1)NC(=O)c1cn[nH]n1 ZINC001439233052 891292176 /nfs/dbraw/zinc/29/21/76/891292176.db2.gz VMGYVBSWPAYOPS-LURJTMIESA-N 1 2 280.292 -1.865 20 0 CAADLO C[C@@H](C[NH2+]Cc1nc(=O)n(C)[nH]1)NC(=O)c1cnn[nH]1 ZINC001439233052 891292200 /nfs/dbraw/zinc/29/22/00/891292200.db2.gz VMGYVBSWPAYOPS-LURJTMIESA-N 1 2 280.292 -1.865 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+]1CC[C@@H]1CNC(=O)Cn1ncnn1 ZINC001439524433 891306569 /nfs/dbraw/zinc/30/65/69/891306569.db2.gz MQQDNGXYWAWIHR-RKDXNWHRSA-N 1 2 281.320 -2.002 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+]1CC[C@@H]1CNC(=O)Cn1ncnn1 ZINC001439524433 891306585 /nfs/dbraw/zinc/30/65/85/891306585.db2.gz MQQDNGXYWAWIHR-RKDXNWHRSA-N 1 2 281.320 -2.002 20 0 CAADLO CCN(C)C(=O)C[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CCC(=O)N1 ZINC001439522246 891309015 /nfs/dbraw/zinc/30/90/15/891309015.db2.gz OTJPTHQTRMGRCL-WDEREUQCSA-N 1 2 296.371 -1.066 20 0 CAADLO CCN(C)C(=O)C[N@H+]1CC[C@H]1CNC(=O)[C@H]1CCC(=O)N1 ZINC001439522246 891309026 /nfs/dbraw/zinc/30/90/26/891309026.db2.gz OTJPTHQTRMGRCL-WDEREUQCSA-N 1 2 296.371 -1.066 20 0 CAADLO CNC(=O)NCC(=O)NC[C@@H]1CC[N@@H+]1[C@@H](C)C(=O)NC ZINC001439531858 891309279 /nfs/dbraw/zinc/30/92/79/891309279.db2.gz CENYPTXEDRURLG-IUCAKERBSA-N 1 2 285.348 -1.760 20 0 CAADLO CNC(=O)NCC(=O)NC[C@@H]1CC[N@H+]1[C@@H](C)C(=O)NC ZINC001439531858 891309294 /nfs/dbraw/zinc/30/92/94/891309294.db2.gz CENYPTXEDRURLG-IUCAKERBSA-N 1 2 285.348 -1.760 20 0 CAADLO CCN(C)C(=O)C[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CCC(=O)N1 ZINC001439522243 891310055 /nfs/dbraw/zinc/31/00/55/891310055.db2.gz OTJPTHQTRMGRCL-GHMZBOCLSA-N 1 2 296.371 -1.066 20 0 CAADLO CCN(C)C(=O)C[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CCC(=O)N1 ZINC001439522243 891310073 /nfs/dbraw/zinc/31/00/73/891310073.db2.gz OTJPTHQTRMGRCL-GHMZBOCLSA-N 1 2 296.371 -1.066 20 0 CAADLO CN(C)C(=O)C[N@@H+]1CC[C@H]1CNC(=O)CCCC(N)=O ZINC001439583565 891311145 /nfs/dbraw/zinc/31/11/45/891311145.db2.gz MJYGTZUAOSRMMQ-JTQLQIEISA-N 1 2 284.360 -1.079 20 0 CAADLO CN(C)C(=O)C[N@H+]1CC[C@H]1CNC(=O)CCCC(N)=O ZINC001439583565 891311157 /nfs/dbraw/zinc/31/11/57/891311157.db2.gz MJYGTZUAOSRMMQ-JTQLQIEISA-N 1 2 284.360 -1.079 20 0 CAADLO Cc1nnc(C[NH2+]C2(CNC(=O)Cn3cnnn3)CC2)[nH]1 ZINC001439584339 891311600 /nfs/dbraw/zinc/31/16/00/891311600.db2.gz BPEZUKCMGIXCFQ-UHFFFAOYSA-N 1 2 291.319 -1.462 20 0 CAADLO CC(=O)N[C@@H](CC(=O)NC[C@@H]1CC[N@@H+]1CCF)C(N)=O ZINC001439559235 891311801 /nfs/dbraw/zinc/31/18/01/891311801.db2.gz LRRWYOMZEXWKQE-UWVGGRQHSA-N 1 2 288.323 -1.474 20 0 CAADLO CC(=O)N[C@@H](CC(=O)NC[C@@H]1CC[N@H+]1CCF)C(N)=O ZINC001439559235 891311821 /nfs/dbraw/zinc/31/18/21/891311821.db2.gz LRRWYOMZEXWKQE-UWVGGRQHSA-N 1 2 288.323 -1.474 20 0 CAADLO CN1CC[C@@H]([N@@H+]2CC[C@@H]2CNC(=O)CCNC(N)=O)C1=O ZINC001439563903 891312635 /nfs/dbraw/zinc/31/26/35/891312635.db2.gz GTLXHRAHUZHAMN-NXEZZACHSA-N 1 2 297.359 -1.534 20 0 CAADLO CN1CC[C@@H]([N@H+]2CC[C@@H]2CNC(=O)CCNC(N)=O)C1=O ZINC001439563903 891312652 /nfs/dbraw/zinc/31/26/52/891312652.db2.gz GTLXHRAHUZHAMN-NXEZZACHSA-N 1 2 297.359 -1.534 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+]1CC[C@H]1CNC(=O)CCn1cnnn1 ZINC001439556283 891313242 /nfs/dbraw/zinc/31/32/42/891313242.db2.gz CHYUAXPCISCSLN-UWVGGRQHSA-N 1 2 295.347 -1.612 20 0 CAADLO CNC(=O)[C@H](C)[N@H+]1CC[C@H]1CNC(=O)CCn1cnnn1 ZINC001439556283 891313255 /nfs/dbraw/zinc/31/32/55/891313255.db2.gz CHYUAXPCISCSLN-UWVGGRQHSA-N 1 2 295.347 -1.612 20 0 CAADLO Cn1nnnc1C[NH2+]C1(CNC(=O)c2ccn[nH]2)CC1 ZINC001439600463 891313540 /nfs/dbraw/zinc/31/35/40/891313540.db2.gz TYXVOJFQYHOHTJ-UHFFFAOYSA-N 1 2 276.304 -1.015 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+]1CC[C@@H]1CNC(=O)CCn1cnnn1 ZINC001439556285 891313973 /nfs/dbraw/zinc/31/39/73/891313973.db2.gz CHYUAXPCISCSLN-VHSXEESVSA-N 1 2 295.347 -1.612 20 0 CAADLO CNC(=O)[C@H](C)[N@H+]1CC[C@@H]1CNC(=O)CCn1cnnn1 ZINC001439556285 891313991 /nfs/dbraw/zinc/31/39/91/891313991.db2.gz CHYUAXPCISCSLN-VHSXEESVSA-N 1 2 295.347 -1.612 20 0 CAADLO CC[C@@H](C(N)=O)[N@@H+]1CC[C@H]1CNC(=O)CCNC(N)=O ZINC001439571582 891314476 /nfs/dbraw/zinc/31/44/76/891314476.db2.gz WBGVNRRPBMUEJI-IUCAKERBSA-N 1 2 285.348 -1.501 20 0 CAADLO CC[C@@H](C(N)=O)[N@H+]1CC[C@H]1CNC(=O)CCNC(N)=O ZINC001439571582 891314491 /nfs/dbraw/zinc/31/44/91/891314491.db2.gz WBGVNRRPBMUEJI-IUCAKERBSA-N 1 2 285.348 -1.501 20 0 CAADLO C[C@@H]([NH2+]C1(CNC(=O)CCc2cnn[nH]2)CC1)C(N)=O ZINC001439648201 891317361 /nfs/dbraw/zinc/31/73/61/891317361.db2.gz YGSYSXJXALRNST-MRVPVSSYSA-N 1 2 280.332 -1.151 20 0 CAADLO Cn1nnnc1C[NH2+]C1(CNC(=O)[C@H]2C[C@H]2C(N)=O)CC1 ZINC001439643590 891318950 /nfs/dbraw/zinc/31/89/50/891318950.db2.gz DWVMZSJYQUFHLI-SFYZADRCSA-N 1 2 293.331 -1.930 20 0 CAADLO Cn1ncnc1C[NH2+]C1(CNC(=O)c2cn[nH]n2)CC1 ZINC001439628672 891319097 /nfs/dbraw/zinc/31/90/97/891319097.db2.gz NDTKYVVBWQIQAF-UHFFFAOYSA-N 1 2 276.304 -1.015 20 0 CAADLO COC[C@H](O)C[NH+]1CC(N(C)C(=O)[C@]2(C)CCC(=O)N2)C1 ZINC001439743649 891322754 /nfs/dbraw/zinc/32/27/54/891322754.db2.gz LLBNYJWAXDDRIB-RISCZKNCSA-N 1 2 299.371 -1.195 20 0 CAADLO C[C@@H](O)C[N@@H+]1CC[C@@](C)(NC(=O)CS(C)(=O)=O)C1 ZINC001439832246 891324672 /nfs/dbraw/zinc/32/46/72/891324672.db2.gz LGCMHPPDTFVUMD-MWLCHTKSSA-N 1 2 278.374 -1.008 20 0 CAADLO C[C@@H](O)C[N@H+]1CC[C@@](C)(NC(=O)CS(C)(=O)=O)C1 ZINC001439832246 891324690 /nfs/dbraw/zinc/32/46/90/891324690.db2.gz LGCMHPPDTFVUMD-MWLCHTKSSA-N 1 2 278.374 -1.008 20 0 CAADLO C[C@]1(C[NH2+]CC(N)=O)CCN(C(=O)Cc2ncn[nH]2)C1 ZINC001439907195 891327467 /nfs/dbraw/zinc/32/74/67/891327467.db2.gz UIOIPQWWGMNKTM-GFCCVEGCSA-N 1 2 280.332 -1.339 20 0 CAADLO CNS(=O)(=O)CC(=O)N[C@]1(C)CC[N@H+](CC(N)=O)C1 ZINC001439876066 891328232 /nfs/dbraw/zinc/32/82/32/891328232.db2.gz XCEQDIUMMDEJKX-SNVBAGLBSA-N 1 2 292.361 -2.399 20 0 CAADLO CNS(=O)(=O)CC(=O)N[C@]1(C)CC[N@@H+](CC(N)=O)C1 ZINC001439876066 891328244 /nfs/dbraw/zinc/32/82/44/891328244.db2.gz XCEQDIUMMDEJKX-SNVBAGLBSA-N 1 2 292.361 -2.399 20 0 CAADLO CCC(=O)NC[C@@]1(O)CC[N@H+](Cc2nc(=O)n(C)[nH]2)C1 ZINC001439978442 891336592 /nfs/dbraw/zinc/33/65/92/891336592.db2.gz OAYASQVLOBROLM-LBPRGKRZSA-N 1 2 283.332 -1.429 20 0 CAADLO CCC(=O)NC[C@@]1(O)CC[N@@H+](Cc2nc(=O)n(C)[nH]2)C1 ZINC001439978442 891336609 /nfs/dbraw/zinc/33/66/09/891336609.db2.gz OAYASQVLOBROLM-LBPRGKRZSA-N 1 2 283.332 -1.429 20 0 CAADLO Cc1cc(C(=O)NCC2(O)C[NH+](C[C@H](C)O)C2)n(C)n1 ZINC001440032367 891339296 /nfs/dbraw/zinc/33/92/96/891339296.db2.gz AOOWAORVHZGQHM-JTQLQIEISA-N 1 2 282.344 -1.114 20 0 CAADLO CCNC(=O)CCC(=O)NCC1(O)C[NH+](C[C@@H](C)O)C1 ZINC001440033240 891341111 /nfs/dbraw/zinc/34/11/11/891341111.db2.gz ARDZTVFZDQSLCY-SNVBAGLBSA-N 1 2 287.360 -1.554 20 0 CAADLO CC(=O)NCC(=O)NCC1(O)C[NH+](C[C@@H]2CCCCO2)C1 ZINC001440031483 891343008 /nfs/dbraw/zinc/34/30/08/891343008.db2.gz NRNXLJHCVOCORZ-LBPRGKRZSA-N 1 2 299.371 -1.146 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(O)(CNC(=O)C2CCC2)C1 ZINC001440026315 891344226 /nfs/dbraw/zinc/34/42/26/891344226.db2.gz ZULRPLOLCZEQCR-NSHDSACASA-N 1 2 272.345 -1.043 20 0 CAADLO Cn1ncc(C(=O)NCC2(O)C[NH+](CCCO)C2)c1N ZINC001440041014 891345824 /nfs/dbraw/zinc/34/58/24/891345824.db2.gz IBPMUMYANMDDID-UHFFFAOYSA-N 1 2 283.332 -1.839 20 0 CAADLO CO[C@H](C)C[NH+]1CC(O)(CNC(=O)[C@H]2CCNC(=O)C2)C1 ZINC001440040505 891346980 /nfs/dbraw/zinc/34/69/80/891346980.db2.gz FLNROFXRXYMRSC-MNOVXSKESA-N 1 2 299.371 -1.290 20 0 CAADLO C[C@H](O)C[NH+]1CC(O)(CNC(=O)[C@]2(F)CCOC2)C1 ZINC001440064662 891348254 /nfs/dbraw/zinc/34/82/54/891348254.db2.gz MCMWLUQZGJJORA-CABZTGNLSA-N 1 2 276.308 -1.341 20 0 CAADLO COCC[NH+]1CC(O)(CNC(=O)c2cn[nH]c(=O)c2)C1 ZINC001440060229 891348327 /nfs/dbraw/zinc/34/83/27/891348327.db2.gz WCCIEFSDXABUNC-UHFFFAOYSA-N 1 2 282.300 -1.395 20 0 CAADLO Cc1cc(OCC(=O)NCC2(O)C[NH+](C[C@@H](C)O)C2)no1 ZINC001440058237 891348360 /nfs/dbraw/zinc/34/83/60/891348360.db2.gz OEPHJHXOJFFXJC-SECBINFHSA-N 1 2 299.327 -1.094 20 0 CAADLO Cc1cc(C(=O)NCC2(O)C[NH+](C[C@@H](C)O)C2)cnn1 ZINC001440045297 891349045 /nfs/dbraw/zinc/34/90/45/891349045.db2.gz WKOHBVLUGUPCRX-SNVBAGLBSA-N 1 2 280.328 -1.058 20 0 CAADLO Cc1cc(OCC(=O)NCC2(O)C[NH+](C[C@H](C)O)C2)no1 ZINC001440058239 891349076 /nfs/dbraw/zinc/34/90/76/891349076.db2.gz OEPHJHXOJFFXJC-VIFPVBQESA-N 1 2 299.327 -1.094 20 0 CAADLO C[C@H](CC(=O)NCC1(O)C[NH+](CCCF)C1)NC(N)=O ZINC001440052508 891349239 /nfs/dbraw/zinc/34/92/39/891349239.db2.gz ODGRZLXVASXXHV-SECBINFHSA-N 1 2 290.339 -1.044 20 0 CAADLO O=C(NCC1(O)C[NH+](CCCO)C1)[C@@H]1CCNC(=O)C1 ZINC001440045398 891349332 /nfs/dbraw/zinc/34/93/32/891349332.db2.gz IIBQQBURHNOKBP-SNVBAGLBSA-N 1 2 285.344 -1.942 20 0 CAADLO C[C@H](O)C[NH+]1CC(O)(CNC(=O)[C@]23C[C@H]2COC3)C1 ZINC001440052841 891349904 /nfs/dbraw/zinc/34/99/04/891349904.db2.gz AFEJUTRLICYYNY-KWBADKCTSA-N 1 2 270.329 -1.433 20 0 CAADLO O=C(NCC1(O)CN(CCO)C1)[C@H]1CCc2c[nH+]cn2C1 ZINC001440052813 891350127 /nfs/dbraw/zinc/35/01/27/891350127.db2.gz BPRSQJOXBFGKCJ-NSHDSACASA-N 1 2 294.355 -1.399 20 0 CAADLO C[C@H](O)C[NH+]1CC(O)(CNC(=O)c2cccc(=O)[nH]2)C1 ZINC001440045658 891350265 /nfs/dbraw/zinc/35/02/65/891350265.db2.gz YGMNRPWSCOOODW-VIFPVBQESA-N 1 2 281.312 -1.056 20 0 CAADLO C[C@@H](O)C[NH+]1CC(O)(CNC(=O)c2csnn2)C1 ZINC001440061731 891350564 /nfs/dbraw/zinc/35/05/64/891350564.db2.gz AKRXZDFJHDJQCO-SSDOTTSWSA-N 1 2 272.330 -1.305 20 0 CAADLO Cc1cc(C(=O)NCC2(O)C[NH+](C[C@H](C)O)C2)cnn1 ZINC001440045293 891351007 /nfs/dbraw/zinc/35/10/07/891351007.db2.gz WKOHBVLUGUPCRX-JTQLQIEISA-N 1 2 280.328 -1.058 20 0 CAADLO NC(=O)c1ccc(C(=O)NCC2(O)C[NH+](CCCO)C2)o1 ZINC001440058728 891351317 /nfs/dbraw/zinc/35/13/17/891351317.db2.gz UFSVPAJLDGUCSZ-UHFFFAOYSA-N 1 2 297.311 -1.463 20 0 CAADLO CO[C@@H](C)C[NH+]1CC(O)(CNC(=O)C[C@@H]2CCC(=O)N2)C1 ZINC001440085253 891351652 /nfs/dbraw/zinc/35/16/52/891351652.db2.gz NDBCESLOYLLVSI-QWRGUYRKSA-N 1 2 299.371 -1.147 20 0 CAADLO CCNC(=O)CN1CC(O)(CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001440084392 891351997 /nfs/dbraw/zinc/35/19/97/891351997.db2.gz VDUIDEUCVDMFMG-UHFFFAOYSA-N 1 2 295.343 -1.749 20 0 CAADLO COC[C@H](O)C[NH+]1CC(O)(CNC(=O)c2conc2C)C1 ZINC001440068588 891352481 /nfs/dbraw/zinc/35/24/81/891352481.db2.gz INWRPKKIFKMBDS-SNVBAGLBSA-N 1 2 299.327 -1.233 20 0 CAADLO COC[C@H](C)[NH+]1CC(O)(CNC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001440088618 891352508 /nfs/dbraw/zinc/35/25/08/891352508.db2.gz OIXIHYXYCNKDAM-UWVGGRQHSA-N 1 2 285.344 -1.537 20 0 CAADLO COC[C@H](O)C[NH+]1CC(O)(CNC(=O)[C@@H]2C[C@H]2C)C1 ZINC001440069140 891352632 /nfs/dbraw/zinc/35/26/32/891352632.db2.gz KDDZONVVXIVPPI-GMTAPVOTSA-N 1 2 272.345 -1.187 20 0 CAADLO O=C(CCCn1cncn1)NCC1(O)C[NH+](CCCO)C1 ZINC001440085749 891353022 /nfs/dbraw/zinc/35/30/22/891353022.db2.gz HCHQSGJDXNSHMO-UHFFFAOYSA-N 1 2 297.359 -1.396 20 0 CAADLO Cn1c(=O)cccc1C(=O)NCC1(O)C[NH+](CCCO)C1 ZINC001440074564 891353873 /nfs/dbraw/zinc/35/38/73/891353873.db2.gz IHYAVBDVMFYVTO-UHFFFAOYSA-N 1 2 295.339 -1.456 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(O)(CNC(=O)[C@@H]2C[C@H]2C)C1 ZINC001440069141 891353914 /nfs/dbraw/zinc/35/39/14/891353914.db2.gz KDDZONVVXIVPPI-OUAUKWLOSA-N 1 2 272.345 -1.187 20 0 CAADLO COc1ncc(C(=O)NCC2(O)C[NH+](CCCO)C2)cn1 ZINC001440086566 891353932 /nfs/dbraw/zinc/35/39/32/891353932.db2.gz YTRVUJLKRGZQCI-UHFFFAOYSA-N 1 2 296.327 -1.356 20 0 CAADLO C[C@H](O)C[NH+]1CC(O)(CNC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001440072405 891354176 /nfs/dbraw/zinc/35/41/76/891354176.db2.gz DUUDAOSNCKHYSC-YIZRAAEISA-N 1 2 271.317 -2.349 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@@](CO)(NC(=O)COCC2CC2)C1 ZINC001440169235 891355870 /nfs/dbraw/zinc/35/58/70/891355870.db2.gz NBZQSUNKSODBIJ-CQSZACIVSA-N 1 2 299.371 -1.159 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@@](CO)(NC(=O)COCC2CC2)C1 ZINC001440169235 891355883 /nfs/dbraw/zinc/35/58/83/891355883.db2.gz NBZQSUNKSODBIJ-CQSZACIVSA-N 1 2 299.371 -1.159 20 0 CAADLO NC(=O)CN1CCC[C@](CO)(NC(=O)Cn2cc[nH+]c2)C1 ZINC001440187068 891356577 /nfs/dbraw/zinc/35/65/77/891356577.db2.gz KDNGSYWSMHGMOJ-ZDUSSCGKSA-N 1 2 295.343 -1.689 20 0 CAADLO NC(=O)CN1CCC[C@@](CO)(NC(=O)Cn2cc[nH+]c2)C1 ZINC001440187063 891356718 /nfs/dbraw/zinc/35/67/18/891356718.db2.gz KDNGSYWSMHGMOJ-CYBMUJFWSA-N 1 2 295.343 -1.689 20 0 CAADLO CC(=O)N1CCC[C@@H]1C(=O)NCC1(O)C[NH+](C[C@H](C)O)C1 ZINC001440092699 891356977 /nfs/dbraw/zinc/35/69/77/891356977.db2.gz CEGJZWTWIOBLRH-CMPLNLGQSA-N 1 2 299.371 -1.459 20 0 CAADLO O=C(Cn1cc[nH+]c1)NCC1(O)CN([C@H]2CCNC2=O)C1 ZINC001440098339 891359088 /nfs/dbraw/zinc/35/90/88/891359088.db2.gz CUZJYTFVHNHZHH-JTQLQIEISA-N 1 2 293.327 -2.066 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+]1CC[C@@H]1CN(C)C(=O)CCNC(N)=O ZINC001440252886 891360052 /nfs/dbraw/zinc/36/00/52/891360052.db2.gz MFHWSSRMWWIEBJ-NXEZZACHSA-N 1 2 299.375 -1.288 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+]1CC[C@@H]1CN(C)C(=O)CCNC(N)=O ZINC001440252886 891360062 /nfs/dbraw/zinc/36/00/62/891360062.db2.gz MFHWSSRMWWIEBJ-NXEZZACHSA-N 1 2 299.375 -1.288 20 0 CAADLO CO[C@@H](C)C[N@@H+]1CCOC[C@@H]1CNC(=O)Cn1ncnn1 ZINC001440247493 891360245 /nfs/dbraw/zinc/36/02/45/891360245.db2.gz UEGFQGXDOWMPMK-QWRGUYRKSA-N 1 2 298.347 -1.475 20 0 CAADLO CO[C@@H](C)C[N@H+]1CCOC[C@@H]1CNC(=O)Cn1ncnn1 ZINC001440247493 891360255 /nfs/dbraw/zinc/36/02/55/891360255.db2.gz UEGFQGXDOWMPMK-QWRGUYRKSA-N 1 2 298.347 -1.475 20 0 CAADLO CO[C@H](C)C[N@@H+]1CCOC[C@@H]1CNC(=O)Cn1ncnn1 ZINC001440247491 891360467 /nfs/dbraw/zinc/36/04/67/891360467.db2.gz UEGFQGXDOWMPMK-MNOVXSKESA-N 1 2 298.347 -1.475 20 0 CAADLO CO[C@H](C)C[N@H+]1CCOC[C@@H]1CNC(=O)Cn1ncnn1 ZINC001440247491 891360480 /nfs/dbraw/zinc/36/04/80/891360480.db2.gz UEGFQGXDOWMPMK-MNOVXSKESA-N 1 2 298.347 -1.475 20 0 CAADLO CO[C@@H](C)C[N@@H+]1CCOC[C@H]1CNC(=O)Cn1ncnn1 ZINC001440247494 891360841 /nfs/dbraw/zinc/36/08/41/891360841.db2.gz UEGFQGXDOWMPMK-WDEREUQCSA-N 1 2 298.347 -1.475 20 0 CAADLO CO[C@@H](C)C[N@H+]1CCOC[C@H]1CNC(=O)Cn1ncnn1 ZINC001440247494 891360857 /nfs/dbraw/zinc/36/08/57/891360857.db2.gz UEGFQGXDOWMPMK-WDEREUQCSA-N 1 2 298.347 -1.475 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+]1CC[C@H]1CN(C)C(=O)CCNC(N)=O ZINC001440252891 891362184 /nfs/dbraw/zinc/36/21/84/891362184.db2.gz MFHWSSRMWWIEBJ-UWVGGRQHSA-N 1 2 299.375 -1.288 20 0 CAADLO CNC(=O)[C@H](C)[N@H+]1CC[C@H]1CN(C)C(=O)CCNC(N)=O ZINC001440252891 891362198 /nfs/dbraw/zinc/36/21/98/891362198.db2.gz MFHWSSRMWWIEBJ-UWVGGRQHSA-N 1 2 299.375 -1.288 20 0 CAADLO CO[C@H](C)C[N@@H+]1CCOC[C@H]1CNC(=O)Cn1ncnn1 ZINC001440247489 891362292 /nfs/dbraw/zinc/36/22/92/891362292.db2.gz UEGFQGXDOWMPMK-GHMZBOCLSA-N 1 2 298.347 -1.475 20 0 CAADLO CO[C@H](C)C[N@H+]1CCOC[C@H]1CNC(=O)Cn1ncnn1 ZINC001440247489 891362309 /nfs/dbraw/zinc/36/23/09/891362309.db2.gz UEGFQGXDOWMPMK-GHMZBOCLSA-N 1 2 298.347 -1.475 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+]1CC[C@H]1CN(C)C(=O)CCNC(N)=O ZINC001440252966 891363259 /nfs/dbraw/zinc/36/32/59/891363259.db2.gz MFHWSSRMWWIEBJ-ZJUUUORDSA-N 1 2 299.375 -1.288 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+]1CC[C@H]1CN(C)C(=O)CCNC(N)=O ZINC001440252966 891363269 /nfs/dbraw/zinc/36/32/69/891363269.db2.gz MFHWSSRMWWIEBJ-ZJUUUORDSA-N 1 2 299.375 -1.288 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+]1CC[C@@H]1CN(C)C(=O)CCNC(N)=O ZINC001440252908 891363669 /nfs/dbraw/zinc/36/36/69/891363669.db2.gz MFHWSSRMWWIEBJ-VHSXEESVSA-N 1 2 299.375 -1.288 20 0 CAADLO CNC(=O)[C@H](C)[N@H+]1CC[C@@H]1CN(C)C(=O)CCNC(N)=O ZINC001440252908 891363684 /nfs/dbraw/zinc/36/36/84/891363684.db2.gz MFHWSSRMWWIEBJ-VHSXEESVSA-N 1 2 299.375 -1.288 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CC[C@H]1CN(C)C(=O)CCNC(N)=O ZINC001440252365 891363725 /nfs/dbraw/zinc/36/37/25/891363725.db2.gz KKSAGIONENOXGC-BDAKNGLRSA-N 1 2 285.348 -1.549 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CC[C@H]1CN(C)C(=O)CCNC(N)=O ZINC001440252365 891363738 /nfs/dbraw/zinc/36/37/38/891363738.db2.gz KKSAGIONENOXGC-BDAKNGLRSA-N 1 2 285.348 -1.549 20 0 CAADLO O=C(CCn1ccnn1)NC[C@@H]1COCC[N@H+]1CCCO ZINC001440241375 891363848 /nfs/dbraw/zinc/36/38/48/891363848.db2.gz OSKFYMKSTDVYML-GFCCVEGCSA-N 1 2 297.359 -1.132 20 0 CAADLO O=C(CCn1ccnn1)NC[C@@H]1COCC[N@@H+]1CCCO ZINC001440241375 891363865 /nfs/dbraw/zinc/36/38/65/891363865.db2.gz OSKFYMKSTDVYML-GFCCVEGCSA-N 1 2 297.359 -1.132 20 0 CAADLO C[C@H](O)C[N@@H+]1CCOC[C@@H]1CNC(=O)CCCC(N)=O ZINC001440267535 891365349 /nfs/dbraw/zinc/36/53/49/891365349.db2.gz CWNBRQMMFCJWNC-QWRGUYRKSA-N 1 2 287.360 -1.160 20 0 CAADLO C[C@H](O)C[N@H+]1CCOC[C@@H]1CNC(=O)CCCC(N)=O ZINC001440267535 891365362 /nfs/dbraw/zinc/36/53/62/891365362.db2.gz CWNBRQMMFCJWNC-QWRGUYRKSA-N 1 2 287.360 -1.160 20 0 CAADLO COC(=O)NCC(=O)N[C@H]1COC2(C[NH+](CCO)C2)C1 ZINC001440497996 891370350 /nfs/dbraw/zinc/37/03/50/891370350.db2.gz BKZZFKUUFMGYGY-SECBINFHSA-N 1 2 287.316 -1.706 20 0 CAADLO COC(=O)NCC(=O)N[C@@H]1COC2(C[NH+](CCO)C2)C1 ZINC001440498000 891372190 /nfs/dbraw/zinc/37/21/90/891372190.db2.gz BKZZFKUUFMGYGY-VIFPVBQESA-N 1 2 287.316 -1.706 20 0 CAADLO CC(C)[C@@H](O)C(=O)N[C@H]1COC2(C[NH+](CCO)C2)C1 ZINC001440509574 891373003 /nfs/dbraw/zinc/37/30/03/891373003.db2.gz SWZUVQYVXRHITO-GHMZBOCLSA-N 1 2 272.345 -1.045 20 0 CAADLO CNC(=O)CCCC(=O)N[C@H]1COC2(C[NH+](CCO)C2)C1 ZINC001440505097 891373184 /nfs/dbraw/zinc/37/31/84/891373184.db2.gz OMKLDOCWQBTKGY-LLVKDONJSA-N 1 2 299.371 -1.146 20 0 CAADLO CNC(=O)CCCC(=O)N[C@@H]1COC2(C[NH+](CCO)C2)C1 ZINC001440505104 891374130 /nfs/dbraw/zinc/37/41/30/891374130.db2.gz OMKLDOCWQBTKGY-NSHDSACASA-N 1 2 299.371 -1.146 20 0 CAADLO CC(=O)N[C@@H](C)C(=O)NC[C@H]1CCC2(C[NH+](CCO)C2)O1 ZINC001440501840 891374316 /nfs/dbraw/zinc/37/43/16/891374316.db2.gz USSHNUHFFXLDAN-CMPLNLGQSA-N 1 2 299.371 -1.147 20 0 CAADLO CC(=O)N[C@@H](C)C(=O)NC[C@@H]1CCC2(C[NH+](CCO)C2)O1 ZINC001440501850 891375068 /nfs/dbraw/zinc/37/50/68/891375068.db2.gz USSHNUHFFXLDAN-JQWIXIFHSA-N 1 2 299.371 -1.147 20 0 CAADLO NC(=O)C[NH+]1CCC(CO)(NC(=O)Cn2cccn2)CC1 ZINC001440691984 891379311 /nfs/dbraw/zinc/37/93/11/891379311.db2.gz DXCLFOLOYOODIQ-UHFFFAOYSA-N 1 2 295.343 -1.689 20 0 CAADLO C[C@H](NC(=O)c1ncn(C)n1)[C@H](C)[NH2+]Cc1nnn(C)n1 ZINC001440801764 891380617 /nfs/dbraw/zinc/38/06/17/891380617.db2.gz PSGPLIORTFMTPQ-YUMQZZPRSA-N 1 2 293.335 -1.365 20 0 CAADLO C[C@@H]1OCC[C@@H]1C(=O)NC1(CO)CC[NH+](CC(N)=O)CC1 ZINC001440707754 891380715 /nfs/dbraw/zinc/38/07/15/891380715.db2.gz SOHWCFVFVNSMHQ-QWRGUYRKSA-N 1 2 299.371 -1.160 20 0 CAADLO CC(=O)N(C)CC(=O)N[C@@H](C)[C@H](C)[NH2+]Cc1nnn(C)n1 ZINC001440786742 891380737 /nfs/dbraw/zinc/38/07/37/891380737.db2.gz QMOOUUMPHZTXDJ-IUCAKERBSA-N 1 2 297.363 -1.329 20 0 CAADLO CC(=O)N(C)CC(=O)N[C@H](C)[C@H](C)[NH2+]Cc1nnn(C)n1 ZINC001440786740 891381069 /nfs/dbraw/zinc/38/10/69/891381069.db2.gz QMOOUUMPHZTXDJ-DTWKUNHWSA-N 1 2 297.363 -1.329 20 0 CAADLO NC(=O)C[NH+]1CCC(CO)(NC(=O)[C@H]2C[C@H]2C(N)=O)CC1 ZINC001440698881 891382346 /nfs/dbraw/zinc/38/23/46/891382346.db2.gz VPHSIKAGNTWNRD-BDAKNGLRSA-N 1 2 298.343 -2.464 20 0 CAADLO CNC(=O)NCC(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc1nnn(C)n1 ZINC001440793382 891382660 /nfs/dbraw/zinc/38/26/60/891382660.db2.gz WOSHXKZCUBDMPJ-SFYZADRCSA-N 1 2 298.351 -1.878 20 0 CAADLO C[C@H](NC(N)=O)C(=O)NC[C@H](C)[N@H+](C)Cc1cnnn1C ZINC001440904885 891387817 /nfs/dbraw/zinc/38/78/17/891387817.db2.gz CJFXHNZNFJELCO-IUCAKERBSA-N 1 2 297.363 -1.192 20 0 CAADLO C[C@H](NC(N)=O)C(=O)NC[C@H](C)[N@@H+](C)Cc1cnnn1C ZINC001440904885 891387835 /nfs/dbraw/zinc/38/78/35/891387835.db2.gz CJFXHNZNFJELCO-IUCAKERBSA-N 1 2 297.363 -1.192 20 0 CAADLO Cc1nc(CC(=O)NC[C@H](C)[N@H+](C)[C@H]2CCNC2=O)n[nH]1 ZINC001440917255 891392334 /nfs/dbraw/zinc/39/23/34/891392334.db2.gz KKCFNVPPCTWMPY-WPRPVWTQSA-N 1 2 294.359 -1.019 20 0 CAADLO Cc1nc(CC(=O)NC[C@H](C)[N@@H+](C)[C@H]2CCNC2=O)n[nH]1 ZINC001440917255 891392355 /nfs/dbraw/zinc/39/23/55/891392355.db2.gz KKCFNVPPCTWMPY-WPRPVWTQSA-N 1 2 294.359 -1.019 20 0 CAADLO CC(C)[C@@H](O)C(=O)NC1(CCO)C[NH+](CCCO)C1 ZINC001441034744 891395407 /nfs/dbraw/zinc/39/54/07/891395407.db2.gz DMKIVWLRFGHYLI-LLVKDONJSA-N 1 2 274.361 -1.061 20 0 CAADLO CC(=O)NC1(CCO)C[NH+](C[C@@H](O)Cn2cccn2)C1 ZINC001441020223 891396567 /nfs/dbraw/zinc/39/65/67/891396567.db2.gz QUULQUQHGKFOCA-GFCCVEGCSA-N 1 2 282.344 -1.183 20 0 CAADLO C[C@@H](O)C[NH+]1CC(CCO)(NC(=O)c2ccc(=O)[nH]n2)C1 ZINC001441022840 891398590 /nfs/dbraw/zinc/39/85/90/891398590.db2.gz VXEDJNDOJHUSIF-SECBINFHSA-N 1 2 296.327 -1.270 20 0 CAADLO Cn1cc(C(=O)NC2(CCO)C[NH+](CCCO)C2)[nH]c1=O ZINC001441064648 891399359 /nfs/dbraw/zinc/39/93/59/891399359.db2.gz LAYIMRMPIHOZGD-UHFFFAOYSA-N 1 2 298.343 -1.325 20 0 CAADLO C[C@@H](O)C[NH+]1CC(CCO)(NC(=O)Cn2cncn2)C1 ZINC001441067731 891399625 /nfs/dbraw/zinc/39/96/25/891399625.db2.gz BDYQRUPNHNKXAH-SNVBAGLBSA-N 1 2 283.332 -1.788 20 0 CAADLO C[C@H](O)C[NH+]1CC(CCO)(NC(=O)[C@]23C[C@H]2COC3)C1 ZINC001441042095 891400448 /nfs/dbraw/zinc/40/04/48/891400448.db2.gz SKVZTIRBBYRBBF-MJVIPROJSA-N 1 2 284.356 -1.043 20 0 CAADLO CC[NH+]1CC(CCO)(NC(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC001441054618 891400640 /nfs/dbraw/zinc/40/06/40/891400640.db2.gz MVPLGSSUUPJIOM-SECBINFHSA-N 1 2 270.333 -1.417 20 0 CAADLO Cn1cncc1CC(=O)NC1(CCO)C[NH+](CCCO)C1 ZINC001441066451 891400828 /nfs/dbraw/zinc/40/08/28/891400828.db2.gz FFVYUFZSBWRYEB-UHFFFAOYSA-N 1 2 296.371 -1.102 20 0 CAADLO Cn1c[nH+]cc1CCC(=O)NC1(CCO)CN(CCO)C1 ZINC001441076739 891400879 /nfs/dbraw/zinc/40/08/79/891400879.db2.gz WQKPUJRXMOSAFE-UHFFFAOYSA-N 1 2 296.371 -1.102 20 0 CAADLO CO[C@@H](C)C(=O)NCCN1CC[NH+]([C@@H]2CCNC2=O)CC1 ZINC001441050933 891401143 /nfs/dbraw/zinc/40/11/43/891401143.db2.gz RGUUELVTKYIGGS-NWDGAFQWSA-N 1 2 298.387 -1.356 20 0 CAADLO CNC(=O)NCC(=O)NC1(CCO)C[NH+](CCCO)C1 ZINC001441045911 891401378 /nfs/dbraw/zinc/40/13/78/891401378.db2.gz NRZBFDKPIAAADT-UHFFFAOYSA-N 1 2 288.348 -2.149 20 0 CAADLO CNC(=O)NCC(=O)NC1(CCO)C[NH+](CCO)C1 ZINC001441043732 891401510 /nfs/dbraw/zinc/40/15/10/891401510.db2.gz DRKIUMZAFFZBST-UHFFFAOYSA-N 1 2 274.321 -2.539 20 0 CAADLO C[C@@H](O)C[NH+]1CC(CCO)(NC(=O)C[C@H]2CCNC2=O)C1 ZINC001441046059 891401528 /nfs/dbraw/zinc/40/15/28/891401528.db2.gz OVILOFSVHZPZBK-GHMZBOCLSA-N 1 2 299.371 -1.554 20 0 CAADLO CCn1ccc(CC(=O)NC2(CCO)C[NH+](CCO)C2)n1 ZINC001441043516 891401681 /nfs/dbraw/zinc/40/16/81/891401681.db2.gz YVUIZDZOCYDENK-UHFFFAOYSA-N 1 2 296.371 -1.009 20 0 CAADLO CO[C@@H](C)C(=O)NCCN1CC[NH+]([C@H]2CCNC2=O)CC1 ZINC001441050936 891401943 /nfs/dbraw/zinc/40/19/43/891401943.db2.gz RGUUELVTKYIGGS-RYUDHWBXSA-N 1 2 298.387 -1.356 20 0 CAADLO O=C(C[C@H]1CCC(=O)NC1)NC1(CCO)C[NH+](CCO)C1 ZINC001441046708 891402048 /nfs/dbraw/zinc/40/20/48/891402048.db2.gz QRZYTVBSYBHVII-LLVKDONJSA-N 1 2 299.371 -1.552 20 0 CAADLO C[C@H](NC(=O)Cn1ccccc1=O)C1C[NH+](CC(N)=O)C1 ZINC001441192909 891403474 /nfs/dbraw/zinc/40/34/74/891403474.db2.gz HEFAHEYFOWVPHD-JTQLQIEISA-N 1 2 292.339 -1.230 20 0 CAADLO CCNC(=O)C[NH+]1CC([C@@H](C)NC(=O)[C@H]2COCCO2)C1 ZINC001441145054 891403567 /nfs/dbraw/zinc/40/35/67/891403567.db2.gz YQHDRMPUJUMRNA-ZYHUDNBSSA-N 1 2 299.371 -1.026 20 0 CAADLO CNC(=O)C[NH+]1CC([C@H](C)NC(=O)CN2CCOCC2)C1 ZINC001441167703 891403824 /nfs/dbraw/zinc/40/38/24/891403824.db2.gz VWAJWSSBGMGDBA-NSHDSACASA-N 1 2 298.387 -1.499 20 0 CAADLO CNC(=O)C[NH+]1CC([C@H](C)NC(=O)CCn2cncn2)C1 ZINC001441142738 891404263 /nfs/dbraw/zinc/40/42/63/891404263.db2.gz VPVHRNDQNHZIDY-JTQLQIEISA-N 1 2 294.359 -1.149 20 0 CAADLO CNC(=O)C[NH+]1CC([C@H](C)NC(=O)CN(C)C(C)=O)C1 ZINC001441133482 891404826 /nfs/dbraw/zinc/40/48/26/891404826.db2.gz FZIMAINFSWHNAL-VIFPVBQESA-N 1 2 284.360 -1.353 20 0 CAADLO C[C@@H](NC(=O)[C@@]1(C)CCC(=O)NC1)C1C[NH+](CC(N)=O)C1 ZINC001441177735 891405472 /nfs/dbraw/zinc/40/54/72/891405472.db2.gz QHIOXZJKGXGLIN-OTYXRUKQSA-N 1 2 296.371 -1.176 20 0 CAADLO CNC(=O)C[NH+]1CC([C@@H](C)NC(=O)CCn2cncn2)C1 ZINC001441142961 891405511 /nfs/dbraw/zinc/40/55/11/891405511.db2.gz VPVHRNDQNHZIDY-SNVBAGLBSA-N 1 2 294.359 -1.149 20 0 CAADLO CC(=O)NCC(=O)N[C@H]1C[N@H+](CC(N)=O)CC1(C)C ZINC001441226544 891407597 /nfs/dbraw/zinc/40/75/97/891407597.db2.gz KNBIBLSEBQQFNP-VIFPVBQESA-N 1 2 270.333 -1.566 20 0 CAADLO CC(=O)NCC(=O)N[C@H]1C[N@@H+](CC(N)=O)CC1(C)C ZINC001441226544 891407603 /nfs/dbraw/zinc/40/76/03/891407603.db2.gz KNBIBLSEBQQFNP-VIFPVBQESA-N 1 2 270.333 -1.566 20 0 CAADLO CC(=O)N[C@H](C)C(=O)N[C@@H]1C[N@H+](CC(N)=O)CC1(C)C ZINC001441230084 891407997 /nfs/dbraw/zinc/40/79/97/891407997.db2.gz PYGPSGFQTVBMNQ-PSASIEDQSA-N 1 2 284.360 -1.177 20 0 CAADLO CC(=O)N[C@H](C)C(=O)N[C@@H]1C[N@@H+](CC(N)=O)CC1(C)C ZINC001441230084 891408003 /nfs/dbraw/zinc/40/80/03/891408003.db2.gz PYGPSGFQTVBMNQ-PSASIEDQSA-N 1 2 284.360 -1.177 20 0 CAADLO COC(=O)C[C@H]1C(=O)NCCN1C(=O)Cc1c[nH+]cn1C ZINC001441253925 891408384 /nfs/dbraw/zinc/40/83/84/891408384.db2.gz USFOYMPNRCHGAO-JTQLQIEISA-N 1 2 294.311 -1.147 20 0 CAADLO C[C@H](C[NH+]1CCOCC1)NC(=O)Cn1nnc(N)n1 ZINC001441373759 891409976 /nfs/dbraw/zinc/40/99/76/891409976.db2.gz SLBBLQPVBMUDGB-MRVPVSSYSA-N 1 2 269.309 -1.908 20 0 CAADLO COCCC(=O)NC[C@H](CO)[NH2+]Cc1nncn1C ZINC001441647695 891419311 /nfs/dbraw/zinc/41/93/11/891419311.db2.gz BOYIZWUXJMKAPI-SECBINFHSA-N 1 2 271.321 -1.582 20 0 CAADLO COCC(=O)NC[C@H](CO)[NH2+][C@H](C)c1nnnn1C ZINC001441653783 891419436 /nfs/dbraw/zinc/41/94/36/891419436.db2.gz VZBFVGUNBYIFEH-HTQZYQBOSA-N 1 2 272.309 -2.016 20 0 CAADLO CC(=O)NC[C@@H](CO)[NH2+]Cc1nc2c(cnn2C)c(=O)[nH]1 ZINC001441653328 891420195 /nfs/dbraw/zinc/42/01/95/891420195.db2.gz KNHNIKGEQCLQAG-QMMMGPOBSA-N 1 2 294.315 -1.345 20 0 CAADLO COCC(=O)NC[C@H](CO)[NH2+][C@@H](C)c1nnnn1C ZINC001441653903 891420239 /nfs/dbraw/zinc/42/02/39/891420239.db2.gz VZBFVGUNBYIFEH-JGVFFNPUSA-N 1 2 272.309 -2.016 20 0 CAADLO C[C@H](CC(N)=O)C(=O)NC[C@@H]1CCCC[N@@H+]1CC(N)=O ZINC001441641026 891420386 /nfs/dbraw/zinc/42/03/86/891420386.db2.gz HWKSVONOJVKBIE-ZJUUUORDSA-N 1 2 284.360 -1.046 20 0 CAADLO C[C@H](CC(N)=O)C(=O)NC[C@@H]1CCCC[N@H+]1CC(N)=O ZINC001441641026 891420395 /nfs/dbraw/zinc/42/03/95/891420395.db2.gz HWKSVONOJVKBIE-ZJUUUORDSA-N 1 2 284.360 -1.046 20 0 CAADLO Cn1[nH]c(C[NH2+][C@H](CO)CNC(=O)C(F)F)nc1=O ZINC001441656233 891420700 /nfs/dbraw/zinc/42/07/00/891420700.db2.gz PELLFUMQGDCULI-YFKPBYRVSA-N 1 2 279.247 -2.060 20 0 CAADLO CC(=O)NCC(=O)NC[C@@H](CO)[NH2+][C@H](C)c1nnc(C)[nH]1 ZINC001441656300 891420923 /nfs/dbraw/zinc/42/09/23/891420923.db2.gz CHNIHAGBJNKULY-XCBNKYQSSA-N 1 2 298.347 -1.623 20 0 CAADLO CNC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)Cc2nnc[nH]2)C1 ZINC001441578132 891421296 /nfs/dbraw/zinc/42/12/96/891421296.db2.gz DCJMPOXLMJFALW-JTQLQIEISA-N 1 2 294.359 -1.079 20 0 CAADLO CNC(=O)C[N@H+]1CCC[C@@H](CNC(=O)Cc2nnc[nH]2)C1 ZINC001441578132 891421299 /nfs/dbraw/zinc/42/12/99/891421299.db2.gz DCJMPOXLMJFALW-JTQLQIEISA-N 1 2 294.359 -1.079 20 0 CAADLO Cn1[nH]c(C[NH2+][C@@H](CO)CNC(=O)C(F)F)nc1=O ZINC001441655956 891421339 /nfs/dbraw/zinc/42/13/39/891421339.db2.gz PELLFUMQGDCULI-RXMQYKEDSA-N 1 2 279.247 -2.060 20 0 CAADLO C[C@H]([NH2+][C@@H](CO)CNC(=O)c1ccn[nH]1)c1nnnn1C ZINC001441663162 891422852 /nfs/dbraw/zinc/42/28/52/891422852.db2.gz HGWYMUQZCBAKRJ-JGVFFNPUSA-N 1 2 294.319 -1.625 20 0 CAADLO CC(=O)NCC(=O)NC[C@H](CO)[NH2+][C@@H](C)c1nnnn1C ZINC001441663223 891423035 /nfs/dbraw/zinc/42/30/35/891423035.db2.gz SUOLFGARVCKCLQ-IONNQARKSA-N 1 2 299.335 -2.526 20 0 CAADLO CC(=O)N[C@@H](C)C(=O)NC[C@H](CO)[NH2+]Cc1ccon1 ZINC001441660936 891423280 /nfs/dbraw/zinc/42/32/80/891423280.db2.gz CXDZNFPTKRVWLX-GZMMTYOYSA-N 1 2 284.316 -1.234 20 0 CAADLO CC(=O)NCC(=O)NC[C@@H](CO)[NH2+]Cc1nccc(C)n1 ZINC001441661946 891423505 /nfs/dbraw/zinc/42/35/05/891423505.db2.gz QDWSHIYPYFJMNT-NSHDSACASA-N 1 2 295.343 -1.512 20 0 CAADLO CCOCC(=O)NC[C@@H](CO)[NH2+][C@H](C)c1nncn1C ZINC001441663003 891423636 /nfs/dbraw/zinc/42/36/36/891423636.db2.gz GXMIUAPUXQYBAD-ZJUUUORDSA-N 1 2 285.348 -1.021 20 0 CAADLO C[C@H]([NH2+][C@H](CO)CNC(=O)c1ccn[nH]1)c1nnnn1C ZINC001441663165 891423832 /nfs/dbraw/zinc/42/38/32/891423832.db2.gz HGWYMUQZCBAKRJ-YUMQZZPRSA-N 1 2 294.319 -1.625 20 0 CAADLO COCCC(=O)NC[C@H](CO)[NH2+]Cc1nnc(C)[nH]1 ZINC001441659967 891423860 /nfs/dbraw/zinc/42/38/60/891423860.db2.gz YFTRNIQVGZZIKA-SECBINFHSA-N 1 2 271.321 -1.284 20 0 CAADLO CC(=O)NCC(=O)NC[C@H](CO)[NH2+]Cc1nccc(C)n1 ZINC001441661945 891424502 /nfs/dbraw/zinc/42/45/02/891424502.db2.gz QDWSHIYPYFJMNT-LLVKDONJSA-N 1 2 295.343 -1.512 20 0 CAADLO Cn1nnnc1C[NH2+][C@@H](CO)CNC(=O)C1=COCCC1 ZINC001441667977 891426088 /nfs/dbraw/zinc/42/60/88/891426088.db2.gz DSPNSJBVBUSKOP-SNVBAGLBSA-N 1 2 296.331 -1.529 20 0 CAADLO Cc1nnc(C[NH2+][C@@H](CO)CNC(=O)c2cnccn2)[nH]1 ZINC001441675888 891426147 /nfs/dbraw/zinc/42/61/47/891426147.db2.gz RBBFDUBZBOHZHK-SECBINFHSA-N 1 2 291.315 -1.216 20 0 CAADLO CO[C@H](C)C(=O)NC[C@H](CO)[NH2+]Cc1ncnn1C ZINC001441673104 891426745 /nfs/dbraw/zinc/42/67/45/891426745.db2.gz MGIKAXPLLPSNMK-RKDXNWHRSA-N 1 2 271.321 -1.583 20 0 CAADLO NC(=O)C[NH2+]C[C@@H]1CCCCN1C(=O)Cc1ncn[nH]1 ZINC001441672532 891427757 /nfs/dbraw/zinc/42/77/57/891427757.db2.gz ATOFUWZRONEVJC-VIFPVBQESA-N 1 2 280.332 -1.197 20 0 CAADLO Cn1cnnc1C[NH2+][C@H](CO)CNC(=O)[C@H]1CCC(=O)N1 ZINC001441677567 891428029 /nfs/dbraw/zinc/42/80/29/891428029.db2.gz FYIGZWNVJVUDFG-DTWKUNHWSA-N 1 2 296.331 -2.340 20 0 CAADLO CO[C@H](C)C(=O)NC[C@@H](CO)[NH2+]Cc1ncnn1C ZINC001441673080 891428108 /nfs/dbraw/zinc/42/81/08/891428108.db2.gz MGIKAXPLLPSNMK-BDAKNGLRSA-N 1 2 271.321 -1.583 20 0 CAADLO Cc1ncc(C(=O)NC[C@@H](CO)[NH2+]Cc2cn(C)nn2)[nH]1 ZINC001441679869 891429521 /nfs/dbraw/zinc/42/95/21/891429521.db2.gz LDRIVCSOOYCIJJ-JTQLQIEISA-N 1 2 293.331 -1.273 20 0 CAADLO Cn1nnnc1C[NH2+][C@H](CO)CNC(=O)c1cscn1 ZINC001441686013 891429706 /nfs/dbraw/zinc/42/97/06/891429706.db2.gz ZQCUGKGUPBIVAF-ZETCQYMHSA-N 1 2 297.344 -1.453 20 0 CAADLO Cn1nnnc1C[NH2+][C@@H](CO)CNC(=O)C1=CCCC1 ZINC001441689161 891429955 /nfs/dbraw/zinc/42/99/55/891429955.db2.gz YJURFPZXXOEYAD-SNVBAGLBSA-N 1 2 280.332 -1.113 20 0 CAADLO Cn1nnnc1C[NH2+][C@H](CO)CNC(=O)C1=CCCC1 ZINC001441689158 891430272 /nfs/dbraw/zinc/43/02/72/891430272.db2.gz YJURFPZXXOEYAD-JTQLQIEISA-N 1 2 280.332 -1.113 20 0 CAADLO Cn1nnnc1C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CC1(C)C ZINC001441686220 891430360 /nfs/dbraw/zinc/43/03/60/891430360.db2.gz SBAVUDPNEVQNBU-BDAKNGLRSA-N 1 2 282.348 -1.177 20 0 CAADLO O=C(NC[C@@H](CO)[NH2+]Cc1cscn1)[C@H]1CCC(=O)N1 ZINC001441677913 891430554 /nfs/dbraw/zinc/43/05/54/891430554.db2.gz GPTCYANSJDOUPX-WCBMZHEXSA-N 1 2 298.368 -1.012 20 0 CAADLO Cn1nnnc1C[NH2+][C@@H](CO)CNC(=O)c1cscn1 ZINC001441686012 891431231 /nfs/dbraw/zinc/43/12/31/891431231.db2.gz ZQCUGKGUPBIVAF-SSDOTTSWSA-N 1 2 297.344 -1.453 20 0 CAADLO Cn1cnnc1C[NH2+][C@@H](CO)CNC(=O)[C@H]1COC(=O)N1 ZINC001441700518 891433769 /nfs/dbraw/zinc/43/37/69/891433769.db2.gz SMURHONKHRMLJD-HTQZYQBOSA-N 1 2 298.303 -2.510 20 0 CAADLO Cc1nnc(C[NH2+][C@@H](CO)CNC(=O)c2cnnn2C)[nH]1 ZINC001441697885 891434795 /nfs/dbraw/zinc/43/47/95/891434795.db2.gz NDVAFORVTGPYHK-MRVPVSSYSA-N 1 2 294.319 -1.878 20 0 CAADLO CS(=O)(=O)CC[NH2+][C@@H](CO)CNC(=O)c1cnn[nH]1 ZINC001441708675 891436332 /nfs/dbraw/zinc/43/63/32/891436332.db2.gz GADPPZSKEPKPMC-SSDOTTSWSA-N 1 2 291.333 -2.470 20 0 CAADLO Cn1nncc1C[NH2+][C@H](CO)CNC(=O)c1cn[nH]n1 ZINC001441715074 891437507 /nfs/dbraw/zinc/43/75/07/891437507.db2.gz QHKNHFJSOTZVMZ-ZETCQYMHSA-N 1 2 280.292 -2.186 20 0 CAADLO Cn1nncc1C[NH2+][C@H](CO)CNC(=O)c1cnn[nH]1 ZINC001441715074 891437514 /nfs/dbraw/zinc/43/75/14/891437514.db2.gz QHKNHFJSOTZVMZ-ZETCQYMHSA-N 1 2 280.292 -2.186 20 0 CAADLO CS(=O)(=O)CC[NH2+][C@H](CO)CNC(=O)c1cnn[nH]1 ZINC001441708692 891437899 /nfs/dbraw/zinc/43/78/99/891437899.db2.gz GADPPZSKEPKPMC-ZETCQYMHSA-N 1 2 291.333 -2.470 20 0 CAADLO Cn1nncc1C[NH2+][C@@H](CO)CNC(=O)c1cn[nH]n1 ZINC001441715068 891437910 /nfs/dbraw/zinc/43/79/10/891437910.db2.gz QHKNHFJSOTZVMZ-SSDOTTSWSA-N 1 2 280.292 -2.186 20 0 CAADLO Cn1nncc1C[NH2+][C@@H](CO)CNC(=O)c1cnn[nH]1 ZINC001441715068 891437913 /nfs/dbraw/zinc/43/79/13/891437913.db2.gz QHKNHFJSOTZVMZ-SSDOTTSWSA-N 1 2 280.292 -2.186 20 0 CAADLO Cn1nnnc1C[NH2+][C@H](CO)CNC(=O)c1cnco1 ZINC001441726092 891440318 /nfs/dbraw/zinc/44/03/18/891440318.db2.gz SJFFSCBSJMHQMM-ZETCQYMHSA-N 1 2 281.276 -1.921 20 0 CAADLO Cc1nn[nH]c1C(=O)NC[C@H](CO)[NH2+]Cc1nccn1C ZINC001441726770 891440748 /nfs/dbraw/zinc/44/07/48/891440748.db2.gz BIABRKJPGOXBHZ-SECBINFHSA-N 1 2 293.331 -1.273 20 0 CAADLO Cn1nnnc1C[NH2+][C@@H](CO)CNC(=O)c1ccncn1 ZINC001441753463 891444193 /nfs/dbraw/zinc/44/41/93/891444193.db2.gz GZTFORPCIZOAON-MRVPVSSYSA-N 1 2 292.303 -2.119 20 0 CAADLO Cn1ncnc1C[NH2+][C@H](CO)CNC(=O)Cc1ncc[nH]1 ZINC001441765078 891447493 /nfs/dbraw/zinc/44/74/93/891447493.db2.gz METXDNBMXRSRGD-VIFPVBQESA-N 1 2 293.331 -1.652 20 0 CAADLO Cc1conc1C(=O)NC[C@H](CO)[NH2+]Cc1cn(C)nn1 ZINC001441782821 891450621 /nfs/dbraw/zinc/45/06/21/891450621.db2.gz VTPSUNNTQZVGEN-SNVBAGLBSA-N 1 2 294.315 -1.008 20 0 CAADLO O=C(Cc1nnc[nH]1)NC[C@H](CO)[NH2+]CC(=O)N1CCC1 ZINC001441777844 891451184 /nfs/dbraw/zinc/45/11/84/891451184.db2.gz PBBNEXIIZLYUMI-SECBINFHSA-N 1 2 296.331 -2.354 20 0 CAADLO Cc1nonc1C[NH2+][C@H](CO)CNC(=O)c1nonc1C ZINC001441793946 891455400 /nfs/dbraw/zinc/45/54/00/891455400.db2.gz GQLIZMZLPLIOCJ-QMMMGPOBSA-N 1 2 296.287 -1.050 20 0 CAADLO C[C@H](CNC(=O)c1cn(C)nn1)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001441819354 891459152 /nfs/dbraw/zinc/45/91/52/891459152.db2.gz YGJODRHVMPUUFQ-SSDOTTSWSA-N 1 2 294.319 -1.855 20 0 CAADLO C[C@@H](CNC(=O)c1cn(C)nn1)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001441819357 891459166 /nfs/dbraw/zinc/45/91/66/891459166.db2.gz YGJODRHVMPUUFQ-ZETCQYMHSA-N 1 2 294.319 -1.855 20 0 CAADLO CNC(=O)NCC(=O)NC[C@@H](C)[NH2+]Cc1nc(C)no1 ZINC001441859110 891461787 /nfs/dbraw/zinc/46/17/87/891461787.db2.gz JWKSMPZZOPIQHU-SSDOTTSWSA-N 1 2 284.320 -1.099 20 0 CAADLO CNC(=O)NCC(=O)NC[C@H](C)[NH2+]Cc1nc(C)no1 ZINC001441859113 891462002 /nfs/dbraw/zinc/46/20/02/891462002.db2.gz JWKSMPZZOPIQHU-ZETCQYMHSA-N 1 2 284.320 -1.099 20 0 CAADLO C[C@H](CNC(=O)c1nnn(C)n1)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001441910155 891463125 /nfs/dbraw/zinc/46/31/25/891463125.db2.gz FFUFXMZPFKKWOS-ZCFIWIBFSA-N 1 2 295.307 -2.460 20 0 CAADLO C[C@@H](CNC(=O)c1cnn(C)n1)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001441991430 891472161 /nfs/dbraw/zinc/47/21/61/891472161.db2.gz RXBBIUSYJJNZQU-ZETCQYMHSA-N 1 2 294.319 -1.855 20 0 CAADLO CN(C)C(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)Cc1ncn[nH]1 ZINC001442037325 891476966 /nfs/dbraw/zinc/47/69/66/891476966.db2.gz JJARAHXPQPKHOR-SECBINFHSA-N 1 2 298.347 -2.156 20 0 CAADLO COCC[N@H+](CCNC(=O)[C@H]1CCCOC1)CC(N)=O ZINC001442170782 891483306 /nfs/dbraw/zinc/48/33/06/891483306.db2.gz HHHCCCMLLMAUOI-NSHDSACASA-N 1 2 287.360 -1.037 20 0 CAADLO COCC[N@@H+](CCNC(=O)[C@H]1CCCOC1)CC(N)=O ZINC001442170782 891483320 /nfs/dbraw/zinc/48/33/20/891483320.db2.gz HHHCCCMLLMAUOI-NSHDSACASA-N 1 2 287.360 -1.037 20 0 CAADLO COC[C@H](O)C[N@@H+](C)CCNC(=O)[C@@H](C)S(C)(=O)=O ZINC001442423748 891496891 /nfs/dbraw/zinc/49/68/91/891496891.db2.gz AMDIKYOEQULAQZ-NXEZZACHSA-N 1 2 296.389 -1.525 20 0 CAADLO Cn1[nH]c(C[N@H+](C)CCNC(=O)c2cnccn2)nc1=O ZINC001442351233 891486272 /nfs/dbraw/zinc/48/62/72/891486272.db2.gz SDOWJYVQMHGUKM-UHFFFAOYSA-N 1 2 291.315 -1.240 20 0 CAADLO Cn1[nH]c(C[N@@H+](C)CCNC(=O)c2cnccn2)nc1=O ZINC001442351233 891486277 /nfs/dbraw/zinc/48/62/77/891486277.db2.gz SDOWJYVQMHGUKM-UHFFFAOYSA-N 1 2 291.315 -1.240 20 0 CAADLO CNC(=O)NCCC(=O)NCC[N@H+](C)CC(=O)NC1CC1 ZINC001442395530 891490059 /nfs/dbraw/zinc/49/00/59/891490059.db2.gz XGQGYWPSGMCPOL-UHFFFAOYSA-N 1 2 299.375 -1.368 20 0 CAADLO CNC(=O)NCCC(=O)NCC[N@@H+](C)CC(=O)NC1CC1 ZINC001442395530 891490067 /nfs/dbraw/zinc/49/00/67/891490067.db2.gz XGQGYWPSGMCPOL-UHFFFAOYSA-N 1 2 299.375 -1.368 20 0 CAADLO C[N@H+](CCNC(=O)CS(C)(=O)=O)CCn1cncn1 ZINC001442369374 891490544 /nfs/dbraw/zinc/49/05/44/891490544.db2.gz MZHBLCZJCGNMIB-UHFFFAOYSA-N 1 2 289.361 -1.629 20 0 CAADLO C[N@@H+](CCNC(=O)CS(C)(=O)=O)CCn1cncn1 ZINC001442369374 891490554 /nfs/dbraw/zinc/49/05/54/891490554.db2.gz MZHBLCZJCGNMIB-UHFFFAOYSA-N 1 2 289.361 -1.629 20 0 CAADLO CC(=O)N(C)CC(=O)NCC[N@H+](C)Cc1nc(=O)n(C)[nH]1 ZINC001442367454 891490588 /nfs/dbraw/zinc/49/05/88/891490588.db2.gz LEMCYOQZCNZKQS-UHFFFAOYSA-N 1 2 298.347 -1.865 20 0 CAADLO CC(=O)N(C)CC(=O)NCC[N@@H+](C)Cc1nc(=O)n(C)[nH]1 ZINC001442367454 891490594 /nfs/dbraw/zinc/49/05/94/891490594.db2.gz LEMCYOQZCNZKQS-UHFFFAOYSA-N 1 2 298.347 -1.865 20 0 CAADLO CNC(=O)CCCC(=O)NCC[N@H+](C)CC(=O)NC ZINC001442378970 891490765 /nfs/dbraw/zinc/49/07/65/891490765.db2.gz QKKRMTUUOQDSSV-UHFFFAOYSA-N 1 2 272.349 -1.303 20 0 CAADLO CNC(=O)CCCC(=O)NCC[N@@H+](C)CC(=O)NC ZINC001442378970 891490776 /nfs/dbraw/zinc/49/07/76/891490776.db2.gz QKKRMTUUOQDSSV-UHFFFAOYSA-N 1 2 272.349 -1.303 20 0 CAADLO CN(C)C(=O)C[N@H+](C)CCNC(=O)[C@H]1CCC(=O)N1 ZINC001442381479 891491811 /nfs/dbraw/zinc/49/18/11/891491811.db2.gz QANHCLDJOILROC-SECBINFHSA-N 1 2 270.333 -1.599 20 0 CAADLO CN(C)C(=O)C[N@@H+](C)CCNC(=O)[C@H]1CCC(=O)N1 ZINC001442381479 891491815 /nfs/dbraw/zinc/49/18/15/891491815.db2.gz QANHCLDJOILROC-SECBINFHSA-N 1 2 270.333 -1.599 20 0 CAADLO COCCn1ncc(C(=O)NCC[N@H+](C)CC(N)=O)c1C ZINC001442408511 891491842 /nfs/dbraw/zinc/49/18/42/891491842.db2.gz YXISZRLTMZTIHW-UHFFFAOYSA-N 1 2 297.359 -1.015 20 0 CAADLO COCCn1ncc(C(=O)NCC[N@@H+](C)CC(N)=O)c1C ZINC001442408511 891491845 /nfs/dbraw/zinc/49/18/45/891491845.db2.gz YXISZRLTMZTIHW-UHFFFAOYSA-N 1 2 297.359 -1.015 20 0 CAADLO C[C@@H](CC(=O)NCC[N@H+](C)CC(=O)N(C)C)NC(N)=O ZINC001442402920 891492093 /nfs/dbraw/zinc/49/20/93/891492093.db2.gz DEFHRRXTOGCMST-VIFPVBQESA-N 1 2 287.364 -1.431 20 0 CAADLO C[C@@H](CC(=O)NCC[N@@H+](C)CC(=O)N(C)C)NC(N)=O ZINC001442402920 891492103 /nfs/dbraw/zinc/49/21/03/891492103.db2.gz DEFHRRXTOGCMST-VIFPVBQESA-N 1 2 287.364 -1.431 20 0 CAADLO C[C@H](O)C[N@@H+]1CCC[C@H]1CNC(=O)CS(C)(=O)=O ZINC001442777073 891507311 /nfs/dbraw/zinc/50/73/11/891507311.db2.gz HXYRNESDNLGWRH-UWVGGRQHSA-N 1 2 278.374 -1.008 20 0 CAADLO C[C@H](O)C[N@H+]1CCC[C@H]1CNC(=O)CS(C)(=O)=O ZINC001442777073 891507315 /nfs/dbraw/zinc/50/73/15/891507315.db2.gz HXYRNESDNLGWRH-UWVGGRQHSA-N 1 2 278.374 -1.008 20 0 CAADLO C[N@H+](CCNC(=O)[C@@H]1CCC2N=NC(=O)N2C1)CC(N)=O ZINC001442438792 891494562 /nfs/dbraw/zinc/49/45/62/891494562.db2.gz QZIKNGNPJYOCGS-MRVPVSSYSA-N 1 2 296.331 -1.921 20 0 CAADLO C[N@@H+](CCNC(=O)[C@@H]1CCC2N=NC(=O)N2C1)CC(N)=O ZINC001442438792 891494576 /nfs/dbraw/zinc/49/45/76/891494576.db2.gz QZIKNGNPJYOCGS-MRVPVSSYSA-N 1 2 296.331 -1.921 20 0 CAADLO CCO[C@H](C(=O)NCC[N@H+](C)CC(N)=O)[C@@H]1CCOC1 ZINC001442488440 891494610 /nfs/dbraw/zinc/49/46/10/891494610.db2.gz NWULAFCGJKGLTK-PWSUYJOCSA-N 1 2 287.360 -1.039 20 0 CAADLO CCO[C@H](C(=O)NCC[N@@H+](C)CC(N)=O)[C@@H]1CCOC1 ZINC001442488440 891494628 /nfs/dbraw/zinc/49/46/28/891494628.db2.gz NWULAFCGJKGLTK-PWSUYJOCSA-N 1 2 287.360 -1.039 20 0 CAADLO CC(C)NC(=O)C[N@H+](C)CCNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001442492942 891494802 /nfs/dbraw/zinc/49/48/02/891494802.db2.gz XVCPGXSAMOUXBE-JTQLQIEISA-N 1 2 299.375 -1.417 20 0 CAADLO CC(C)NC(=O)C[N@@H+](C)CCNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001442492942 891494808 /nfs/dbraw/zinc/49/48/08/891494808.db2.gz XVCPGXSAMOUXBE-JTQLQIEISA-N 1 2 299.375 -1.417 20 0 CAADLO CNC(=O)C[N@H+](C)CCNC(=O)c1nnn(C(C)(C)C)n1 ZINC001442418970 891495172 /nfs/dbraw/zinc/49/51/72/891495172.db2.gz UZZQDDIEVPMYEZ-UHFFFAOYSA-N 1 2 297.363 -1.164 20 0 CAADLO CNC(=O)C[N@@H+](C)CCNC(=O)c1nnn(C(C)(C)C)n1 ZINC001442418970 891495178 /nfs/dbraw/zinc/49/51/78/891495178.db2.gz UZZQDDIEVPMYEZ-UHFFFAOYSA-N 1 2 297.363 -1.164 20 0 CAADLO CCO[C@@H](C(=O)NCC[N@H+](C)CC(N)=O)[C@@H]1CCOC1 ZINC001442488441 891496441 /nfs/dbraw/zinc/49/64/41/891496441.db2.gz NWULAFCGJKGLTK-ZYHUDNBSSA-N 1 2 287.360 -1.039 20 0 CAADLO CCO[C@@H](C(=O)NCC[N@@H+](C)CC(N)=O)[C@@H]1CCOC1 ZINC001442488441 891496445 /nfs/dbraw/zinc/49/64/45/891496445.db2.gz NWULAFCGJKGLTK-ZYHUDNBSSA-N 1 2 287.360 -1.039 20 0 CAADLO CCN(C)C(=O)C[N@H+](C)CCNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001442491736 891496490 /nfs/dbraw/zinc/49/64/90/891496490.db2.gz USBRTTAATNUQKB-SNVBAGLBSA-N 1 2 299.375 -1.464 20 0 CAADLO CCN(C)C(=O)C[N@@H+](C)CCNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001442491736 891496495 /nfs/dbraw/zinc/49/64/95/891496495.db2.gz USBRTTAATNUQKB-SNVBAGLBSA-N 1 2 299.375 -1.464 20 0 CAADLO CCO[C@H](C(=O)NCC[N@H+](C)CC(N)=O)[C@H]1CCOC1 ZINC001442488439 891496508 /nfs/dbraw/zinc/49/65/08/891496508.db2.gz NWULAFCGJKGLTK-JQWIXIFHSA-N 1 2 287.360 -1.039 20 0 CAADLO CCO[C@H](C(=O)NCC[N@@H+](C)CC(N)=O)[C@H]1CCOC1 ZINC001442488439 891496511 /nfs/dbraw/zinc/49/65/11/891496511.db2.gz NWULAFCGJKGLTK-JQWIXIFHSA-N 1 2 287.360 -1.039 20 0 CAADLO CCN(C)C(=O)C[N@H+](C)CCNC(=O)c1c[nH]c(=O)cn1 ZINC001442498915 891496658 /nfs/dbraw/zinc/49/66/58/891496658.db2.gz CIMZVUHFJCEOEZ-UHFFFAOYSA-N 1 2 295.343 -1.090 20 0 CAADLO CCN(C)C(=O)C[N@@H+](C)CCNC(=O)c1c[nH]c(=O)cn1 ZINC001442498915 891496661 /nfs/dbraw/zinc/49/66/61/891496661.db2.gz CIMZVUHFJCEOEZ-UHFFFAOYSA-N 1 2 295.343 -1.090 20 0 CAADLO COC[C@H](O)C[N@H+](C)CCNC(=O)[C@@H](C)S(C)(=O)=O ZINC001442423748 891496882 /nfs/dbraw/zinc/49/68/82/891496882.db2.gz AMDIKYOEQULAQZ-NXEZZACHSA-N 1 2 296.389 -1.525 20 0 CAADLO CNC(=O)C[N@H+](C)CCNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001442491336 891497191 /nfs/dbraw/zinc/49/71/91/891497191.db2.gz SDPUJTDFICSZNI-QMMMGPOBSA-N 1 2 271.321 -2.196 20 0 CAADLO CNC(=O)C[N@@H+](C)CCNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001442491336 891497198 /nfs/dbraw/zinc/49/71/98/891497198.db2.gz SDPUJTDFICSZNI-QMMMGPOBSA-N 1 2 271.321 -2.196 20 0 CAADLO CNC(=O)C[N@H+](C)CCNC(=O)[C@@H]1CCCC(=O)N1C ZINC001442586661 891499592 /nfs/dbraw/zinc/49/95/92/891499592.db2.gz FVPQFSWZMAJYQD-JTQLQIEISA-N 1 2 284.360 -1.209 20 0 CAADLO CNC(=O)C[N@@H+](C)CCNC(=O)[C@@H]1CCCC(=O)N1C ZINC001442586661 891499597 /nfs/dbraw/zinc/49/95/97/891499597.db2.gz FVPQFSWZMAJYQD-JTQLQIEISA-N 1 2 284.360 -1.209 20 0 CAADLO CN(C)S(=O)(=O)NCC(=O)NCC[N@H+](C)CC(N)=O ZINC001442544097 891501331 /nfs/dbraw/zinc/50/13/31/891501331.db2.gz YVMAPRZHQZXMQV-UHFFFAOYSA-N 1 2 295.365 -3.084 20 0 CAADLO CN(C)S(=O)(=O)NCC(=O)NCC[N@@H+](C)CC(N)=O ZINC001442544097 891501337 /nfs/dbraw/zinc/50/13/37/891501337.db2.gz YVMAPRZHQZXMQV-UHFFFAOYSA-N 1 2 295.365 -3.084 20 0 CAADLO C[N@H+](CCNC(=O)Cc1ncc[nH]1)CC(=O)NC(N)=O ZINC001442556403 891501375 /nfs/dbraw/zinc/50/13/75/891501375.db2.gz CSMAZHPWHXPHIO-UHFFFAOYSA-N 1 2 282.304 -1.805 20 0 CAADLO C[N@@H+](CCNC(=O)Cc1ncc[nH]1)CC(=O)NC(N)=O ZINC001442556403 891501380 /nfs/dbraw/zinc/50/13/80/891501380.db2.gz CSMAZHPWHXPHIO-UHFFFAOYSA-N 1 2 282.304 -1.805 20 0 CAADLO C[N@H+](CCNC(=O)CNC(=O)c1ccccn1)CC(N)=O ZINC001442603414 891503777 /nfs/dbraw/zinc/50/37/77/891503777.db2.gz SKTYCHMHKFIWHD-UHFFFAOYSA-N 1 2 293.327 -1.655 20 0 CAADLO C[N@@H+](CCNC(=O)CNC(=O)c1ccccn1)CC(N)=O ZINC001442603414 891503787 /nfs/dbraw/zinc/50/37/87/891503787.db2.gz SKTYCHMHKFIWHD-UHFFFAOYSA-N 1 2 293.327 -1.655 20 0 CAADLO CNC(=O)C[N@H+](C)CCNC(=O)c1ccc(C(N)=O)cn1 ZINC001442611050 891504573 /nfs/dbraw/zinc/50/45/73/891504573.db2.gz MGWBPUICKITMCL-UHFFFAOYSA-N 1 2 293.327 -1.412 20 0 CAADLO CNC(=O)C[N@@H+](C)CCNC(=O)c1ccc(C(N)=O)cn1 ZINC001442611050 891504577 /nfs/dbraw/zinc/50/45/77/891504577.db2.gz MGWBPUICKITMCL-UHFFFAOYSA-N 1 2 293.327 -1.412 20 0 CAADLO COC[C@@H](OC)C(=O)NC[C@@H]1CCC[N@@H+]1CC(N)=O ZINC001442809012 891507067 /nfs/dbraw/zinc/50/70/67/891507067.db2.gz BRZJZKZLRVPQMC-VHSXEESVSA-N 1 2 273.333 -1.286 20 0 CAADLO COC[C@@H](OC)C(=O)NC[C@@H]1CCC[N@H+]1CC(N)=O ZINC001442809012 891507079 /nfs/dbraw/zinc/50/70/79/891507079.db2.gz BRZJZKZLRVPQMC-VHSXEESVSA-N 1 2 273.333 -1.286 20 0 CAADLO COC[C@H](OC)C(=O)NC[C@@H]1CCC[N@@H+]1CC(N)=O ZINC001442809008 891509107 /nfs/dbraw/zinc/50/91/07/891509107.db2.gz BRZJZKZLRVPQMC-UWVGGRQHSA-N 1 2 273.333 -1.286 20 0 CAADLO COC[C@H](OC)C(=O)NC[C@@H]1CCC[N@H+]1CC(N)=O ZINC001442809008 891509108 /nfs/dbraw/zinc/50/91/08/891509108.db2.gz BRZJZKZLRVPQMC-UWVGGRQHSA-N 1 2 273.333 -1.286 20 0 CAADLO CNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)CNC(=O)NC)C1 ZINC001443405613 891521139 /nfs/dbraw/zinc/52/11/39/891521139.db2.gz KZTUBQKBWTVADC-SECBINFHSA-N 1 2 285.348 -1.758 20 0 CAADLO CNC(=O)C[N@H+]1CCC[C@@H](NC(=O)CNC(=O)NC)C1 ZINC001443405613 891521147 /nfs/dbraw/zinc/52/11/47/891521147.db2.gz KZTUBQKBWTVADC-SECBINFHSA-N 1 2 285.348 -1.758 20 0 CAADLO CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)CNC(C)=O)C1 ZINC001443392256 891521168 /nfs/dbraw/zinc/52/11/68/891521168.db2.gz MDIVLRWPIAOCCC-LLVKDONJSA-N 1 2 284.360 -1.161 20 0 CAADLO CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)CNC(C)=O)C1 ZINC001443392256 891521176 /nfs/dbraw/zinc/52/11/76/891521176.db2.gz MDIVLRWPIAOCCC-LLVKDONJSA-N 1 2 284.360 -1.161 20 0 CAADLO CCN1C[C@@H](C(=O)NC2C[NH+](C[C@@H](O)COC)C2)CC1=O ZINC001443475963 891524458 /nfs/dbraw/zinc/52/44/58/891524458.db2.gz UYOSKHHUJNAKBM-CMPLNLGQSA-N 1 2 299.371 -1.338 20 0 CAADLO CCN1C[C@H](C(=O)NC2C[NH+](C[C@@H](O)COC)C2)CC1=O ZINC001443475964 891525702 /nfs/dbraw/zinc/52/57/02/891525702.db2.gz UYOSKHHUJNAKBM-ZYHUDNBSSA-N 1 2 299.371 -1.338 20 0 CAADLO NC(=O)[C@@H]1CC[C@H](CCC(=O)NC2C[NH+](CCO)C2)O1 ZINC001443504794 891527147 /nfs/dbraw/zinc/52/71/47/891527147.db2.gz ARBGKXKQVODKLJ-MNOVXSKESA-N 1 2 285.344 -1.408 20 0 CAADLO CC(=O)NCC(=O)NCC(=O)NC1C[NH+](C[C@@H](C)O)C1 ZINC001443487506 891527310 /nfs/dbraw/zinc/52/73/10/891527310.db2.gz KIAINPNLUBNDEQ-MRVPVSSYSA-N 1 2 286.332 -2.580 20 0 CAADLO COC[C@H](O)C[NH+]1CC(NC(=O)[C@@H]2CCC(=O)N2C)C1 ZINC001443511275 891527581 /nfs/dbraw/zinc/52/75/81/891527581.db2.gz XVQRGKKOPJMVKB-MNOVXSKESA-N 1 2 285.344 -1.585 20 0 CAADLO CNS(=O)(=O)NCC(=O)NC1C[NH+](CCCO)C1 ZINC001443509626 891527985 /nfs/dbraw/zinc/52/79/85/891527985.db2.gz MFSBLMODQMUVNF-UHFFFAOYSA-N 1 2 280.350 -2.777 20 0 CAADLO CCn1nncc1C(=O)NC1C[NH+](C[C@@H](O)COC)C1 ZINC001443487384 891528312 /nfs/dbraw/zinc/52/83/12/891528312.db2.gz UQVPGMOWHBWSPA-SNVBAGLBSA-N 1 2 283.332 -1.281 20 0 CAADLO COCC(=O)N[C@H](C(=O)NC1C[NH+](CCO)C1)C(C)C ZINC001443524645 891528823 /nfs/dbraw/zinc/52/88/23/891528823.db2.gz QCKSUVSAWVWCBD-LBPRGKRZSA-N 1 2 287.360 -1.434 20 0 CAADLO CCNC(=O)C[NH+]1CC(CNC(=O)[C@H](C)NC(C)=O)C1 ZINC001443558564 891530044 /nfs/dbraw/zinc/53/00/44/891530044.db2.gz UAOZDDAABVGQBJ-VIFPVBQESA-N 1 2 284.360 -1.305 20 0 CAADLO CS(=O)(=O)NCC[NH+]1CC(CNC(=O)C2CC2)C1 ZINC001443554084 891530751 /nfs/dbraw/zinc/53/07/51/891530751.db2.gz IHSVGRCRZZBJAI-UHFFFAOYSA-N 1 2 275.374 -1.006 20 0 CAADLO CCNC(=O)C[NH+]1CC(CNC(=O)[C@@H](C)NC(C)=O)C1 ZINC001443558561 891531038 /nfs/dbraw/zinc/53/10/38/891531038.db2.gz UAOZDDAABVGQBJ-SECBINFHSA-N 1 2 284.360 -1.305 20 0 CAADLO CNC(=O)CCCC(=O)NCC1C[NH+](CC(=O)NC)C1 ZINC001443586875 891531185 /nfs/dbraw/zinc/53/11/85/891531185.db2.gz TVWXPSXTZHKMPJ-UHFFFAOYSA-N 1 2 284.360 -1.303 20 0 CAADLO CC(C)NC(=O)C[NH+]1CC(CNC(=O)[C@@H]2COC(=O)N2)C1 ZINC001443586498 891531234 /nfs/dbraw/zinc/53/12/34/891531234.db2.gz XNPQMEKVDXAWFX-JTQLQIEISA-N 1 2 298.343 -1.333 20 0 CAADLO COCC(=O)NCC1C[NH+](CC(=O)NC[C@@H]2CCCO2)C1 ZINC001443554546 891532010 /nfs/dbraw/zinc/53/20/10/891532010.db2.gz JNGNESCLHJZTCG-LBPRGKRZSA-N 1 2 299.371 -1.024 20 0 CAADLO CS[C@H](C)C(=O)NCC1C[NH+](CC(=O)NC(N)=O)C1 ZINC001443572351 891532202 /nfs/dbraw/zinc/53/22/02/891532202.db2.gz QMQJUNKISQTZDI-SSDOTTSWSA-N 1 2 288.373 -1.019 20 0 CAADLO Cc1ocnc1C(=O)NCC1C[NH+](CC(=O)NC(N)=O)C1 ZINC001443591639 891533464 /nfs/dbraw/zinc/53/34/64/891533464.db2.gz ZSBNGKNJGPOXAK-UHFFFAOYSA-N 1 2 295.299 -1.160 20 0 CAADLO NC(=O)C[NH+]1CC(CNC(=O)CCc2ccncn2)C1 ZINC001443650705 891533591 /nfs/dbraw/zinc/53/35/91/891533591.db2.gz CCVDSQQJZJGPHC-UHFFFAOYSA-N 1 2 277.328 -1.058 20 0 CAADLO CCCNC(=O)C[NH+]1CC(CNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001443623654 891533650 /nfs/dbraw/zinc/53/36/50/891533650.db2.gz ONTFXDOCQPITBF-JTQLQIEISA-N 1 2 297.359 -1.758 20 0 CAADLO C[C@H]([C@H](C)NC(=O)[C@H](CO)NC(N)=O)[NH+]1CCOCC1 ZINC001443681484 891534458 /nfs/dbraw/zinc/53/44/58/891534458.db2.gz RBYWXUZMXQNZQE-AEJSXWLSSA-N 1 2 288.348 -1.759 20 0 CAADLO C[C@H]([C@H](C)NC(=O)[C@@H](CO)NC(N)=O)[NH+]1CCOCC1 ZINC001443681486 891535064 /nfs/dbraw/zinc/53/50/64/891535064.db2.gz RBYWXUZMXQNZQE-IVZWLZJFSA-N 1 2 288.348 -1.759 20 0 CAADLO NC(=O)NC(=O)C[NH+]1CC(CNC(=O)c2n[nH]cc2F)C1 ZINC001443608876 891536055 /nfs/dbraw/zinc/53/60/55/891536055.db2.gz KMEQDFZOABTUDD-UHFFFAOYSA-N 1 2 298.278 -1.595 20 0 CAADLO C[C@H](NC(=O)[C@H](CO)NC(N)=O)[C@H](C)[NH+]1CCOCC1 ZINC001443681485 891536124 /nfs/dbraw/zinc/53/61/24/891536124.db2.gz RBYWXUZMXQNZQE-GUBZILKMSA-N 1 2 288.348 -1.759 20 0 CAADLO COC[C@H](OC)C(=O)N(C)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001443822915 891537472 /nfs/dbraw/zinc/53/74/72/891537472.db2.gz SALCDQJPKAVRTL-ZJUUUORDSA-N 1 2 273.333 -1.334 20 0 CAADLO COC[C@H](OC)C(=O)N(C)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001443822915 891537480 /nfs/dbraw/zinc/53/74/80/891537480.db2.gz SALCDQJPKAVRTL-ZJUUUORDSA-N 1 2 273.333 -1.334 20 0 CAADLO CO[C@H](C)C(=O)N[C@H]1CC[N@@H+]([C@@H](C)C(=O)NC(N)=O)C1 ZINC001443697376 891537549 /nfs/dbraw/zinc/53/75/49/891537549.db2.gz ZOMOBYSMAQHTTR-YIZRAAEISA-N 1 2 286.332 -1.205 20 0 CAADLO CO[C@H](C)C(=O)N[C@H]1CC[N@H+]([C@@H](C)C(=O)NC(N)=O)C1 ZINC001443697376 891537555 /nfs/dbraw/zinc/53/75/55/891537555.db2.gz ZOMOBYSMAQHTTR-YIZRAAEISA-N 1 2 286.332 -1.205 20 0 CAADLO CC(=O)NCC(=O)N(C)[C@H]1CC[N@H+](Cc2cnnn2C)C1 ZINC001443797358 891537730 /nfs/dbraw/zinc/53/77/30/891537730.db2.gz FZCGYDYWFZYHIT-NSHDSACASA-N 1 2 294.359 -1.016 20 0 CAADLO CC(=O)NCC(=O)N(C)[C@H]1CC[N@@H+](Cc2cnnn2C)C1 ZINC001443797358 891537742 /nfs/dbraw/zinc/53/77/42/891537742.db2.gz FZCGYDYWFZYHIT-NSHDSACASA-N 1 2 294.359 -1.016 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)CN(C)C(=O)C2CC2)C1 ZINC001443709417 891538468 /nfs/dbraw/zinc/53/84/68/891538468.db2.gz CEKKOVCBJXGVNX-NSHDSACASA-N 1 2 296.371 -1.209 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)CN(C)C(=O)C2CC2)C1 ZINC001443709417 891538475 /nfs/dbraw/zinc/53/84/75/891538475.db2.gz CEKKOVCBJXGVNX-NSHDSACASA-N 1 2 296.371 -1.209 20 0 CAADLO CC[C@H](OC)C(=O)N[C@H]1CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001443705079 891539191 /nfs/dbraw/zinc/53/91/91/891539191.db2.gz VXTQPMXPQKKMJS-IUCAKERBSA-N 1 2 286.332 -1.203 20 0 CAADLO CC[C@H](OC)C(=O)N[C@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001443705079 891539197 /nfs/dbraw/zinc/53/91/97/891539197.db2.gz VXTQPMXPQKKMJS-IUCAKERBSA-N 1 2 286.332 -1.203 20 0 CAADLO CC(=O)NCC(=O)NC[C@H](CO)NC(=O)Cc1[nH]cc[nH+]1 ZINC001444068940 891552562 /nfs/dbraw/zinc/55/25/62/891552562.db2.gz HZYSYYLQIJPQLS-SECBINFHSA-N 1 2 297.315 -2.318 20 0 CAADLO O=C(Cc1[nH]cc[nH+]1)N[C@H](CO)CNC(=O)c1ccon1 ZINC001444095919 891553467 /nfs/dbraw/zinc/55/34/67/891553467.db2.gz AMRXZQXVMGDTJP-QMMMGPOBSA-N 1 2 293.283 -1.153 20 0 CAADLO COC[C@H](C)C(=O)NC[C@@H](CO)NC(=O)Cc1c[nH]c[nH+]1 ZINC001444102283 891555060 /nfs/dbraw/zinc/55/50/60/891555060.db2.gz GXUKWIYLAMGMGC-ONGXEEELSA-N 1 2 298.343 -1.172 20 0 CAADLO O=C(Cc1[nH]cc[nH+]1)N[C@@H](CO)CNC(=O)c1ccon1 ZINC001444095637 891555579 /nfs/dbraw/zinc/55/55/79/891555579.db2.gz AMRXZQXVMGDTJP-MRVPVSSYSA-N 1 2 293.283 -1.153 20 0 CAADLO O=C(Cn1cc[nH+]c1)NC[C@H](CO)NC(=O)c1cocn1 ZINC001444221265 891561022 /nfs/dbraw/zinc/56/10/22/891561022.db2.gz MUZSOLSYHOQOOX-SECBINFHSA-N 1 2 293.283 -1.222 20 0 CAADLO O=C(C[C@@H]1NC(=O)NC1=O)NCCc1[nH]cc[nH+]1 ZINC001444195237 891561230 /nfs/dbraw/zinc/56/12/30/891561230.db2.gz COBOBYFDLMPNDG-LURJTMIESA-N 1 2 251.246 -1.334 20 0 CAADLO CC(=O)NCC(=O)N[C@@H](CO)CNC(=O)Cn1cc[nH+]c1 ZINC001444214559 891561440 /nfs/dbraw/zinc/56/14/40/891561440.db2.gz CDXSSOVSYREGAL-SNVBAGLBSA-N 1 2 297.315 -2.388 20 0 CAADLO CC(=O)NCC(=O)N[C@H](CO)CNC(=O)Cn1cc[nH+]c1 ZINC001444214537 891561726 /nfs/dbraw/zinc/56/17/26/891561726.db2.gz CDXSSOVSYREGAL-JTQLQIEISA-N 1 2 297.315 -2.388 20 0 CAADLO O=C(Cn1cc[nH+]c1)NC[C@H](CO)NC(=O)c1cnon1 ZINC001444222654 891562082 /nfs/dbraw/zinc/56/20/82/891562082.db2.gz QUDUSMPJZQFSEW-MRVPVSSYSA-N 1 2 294.271 -1.827 20 0 CAADLO COCC(=O)N[C@H](CO)CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001444231886 891563357 /nfs/dbraw/zinc/56/33/57/891563357.db2.gz WROQFFYQUYDAEP-IVZWLZJFSA-N 1 2 296.327 -1.247 20 0 CAADLO COCC(=O)N[C@H](CO)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001444231886 891563372 /nfs/dbraw/zinc/56/33/72/891563372.db2.gz WROQFFYQUYDAEP-IVZWLZJFSA-N 1 2 296.327 -1.247 20 0 CAADLO O=C(Cn1cc[nH+]c1)NC[C@H](CO)NC(=O)[C@H]1CCCO1 ZINC001444225604 891565219 /nfs/dbraw/zinc/56/52/19/891565219.db2.gz WRZCIMMTDDBARH-GHMZBOCLSA-N 1 2 296.327 -1.345 20 0 CAADLO COCC(=O)N[C@@H](CO)CNC(=O)CCc1c[nH+]cn1C ZINC001444283027 891566354 /nfs/dbraw/zinc/56/63/54/891566354.db2.gz FTRSDOCCVGXNGW-SNVBAGLBSA-N 1 2 298.343 -1.408 20 0 CAADLO O=C(Cc1c[nH]c[nH+]1)N[C@H](CO)CNC(=O)c1cnco1 ZINC001444275713 891568649 /nfs/dbraw/zinc/56/86/49/891568649.db2.gz VJXULTVFZUPNKH-VIFPVBQESA-N 1 2 293.283 -1.153 20 0 CAADLO CC(C)[C@@H](O)C(=O)N[C@@H](CO)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001444348632 891574165 /nfs/dbraw/zinc/57/41/65/891574165.db2.gz BOEIQONJHZERJH-ZYHUDNBSSA-N 1 2 298.343 -1.438 20 0 CAADLO COCCC(=O)N[C@H](CO)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001444365065 891575119 /nfs/dbraw/zinc/57/51/19/891575119.db2.gz NWLFSMPPMQZFPF-JTQLQIEISA-N 1 2 284.316 -1.418 20 0 CAADLO O=C(Cc1c[nH]c[nH+]1)NC[C@@H](CO)NC(=O)c1ccon1 ZINC001444355170 891575543 /nfs/dbraw/zinc/57/55/43/891575543.db2.gz FKLMLGKQFNKARO-VIFPVBQESA-N 1 2 293.283 -1.153 20 0 CAADLO CCNC(=O)CCC(=O)NC[C@H]1C[N@H+](CCO)CCO1 ZINC001444433520 891577217 /nfs/dbraw/zinc/57/72/17/891577217.db2.gz FQTIIAOWNUSKRF-NSHDSACASA-N 1 2 287.360 -1.288 20 0 CAADLO CCNC(=O)CCC(=O)NC[C@H]1C[N@@H+](CCO)CCO1 ZINC001444433520 891577224 /nfs/dbraw/zinc/57/72/24/891577224.db2.gz FQTIIAOWNUSKRF-NSHDSACASA-N 1 2 287.360 -1.288 20 0 CAADLO NC(=O)CN1CCO[C@@H](CNC(=O)CCn2cc[nH+]c2)C1 ZINC001444469364 891577486 /nfs/dbraw/zinc/57/74/86/891577486.db2.gz IWANVHMJRYDYMX-NSHDSACASA-N 1 2 295.343 -1.425 20 0 CAADLO Cn1ncc(CCC(=O)NC[C@@H]2C[N@H+](CCO)CCO2)n1 ZINC001444446518 891578668 /nfs/dbraw/zinc/57/86/68/891578668.db2.gz KKILTZKPVOLEFK-GFCCVEGCSA-N 1 2 297.359 -1.443 20 0 CAADLO Cn1ncc(CCC(=O)NC[C@@H]2C[N@@H+](CCO)CCO2)n1 ZINC001444446518 891578678 /nfs/dbraw/zinc/57/86/78/891578678.db2.gz KKILTZKPVOLEFK-GFCCVEGCSA-N 1 2 297.359 -1.443 20 0 CAADLO CNC(=O)NCC(=O)NC[C@H]1C[N@H+](CCO)CCO1 ZINC001444451999 891579140 /nfs/dbraw/zinc/57/91/40/891579140.db2.gz RGMWXPJEXGCJCV-VIFPVBQESA-N 1 2 274.321 -2.275 20 0 CAADLO CNC(=O)NCC(=O)NC[C@H]1C[N@@H+](CCO)CCO1 ZINC001444451999 891579146 /nfs/dbraw/zinc/57/91/46/891579146.db2.gz RGMWXPJEXGCJCV-VIFPVBQESA-N 1 2 274.321 -2.275 20 0 CAADLO CN(CC[N@H+](C)CC(=O)NC(N)=O)C(=O)Cc1ncc[nH]1 ZINC001445048959 891592940 /nfs/dbraw/zinc/59/29/40/891592940.db2.gz IHKPGZVHNCQKSF-UHFFFAOYSA-N 1 2 296.331 -1.463 20 0 CAADLO CN(CC[N@@H+](C)CC(=O)NC(N)=O)C(=O)Cc1ncc[nH]1 ZINC001445048959 891592952 /nfs/dbraw/zinc/59/29/52/891592952.db2.gz IHKPGZVHNCQKSF-UHFFFAOYSA-N 1 2 296.331 -1.463 20 0 CAADLO CNC(=O)C[N@H+](C)CCN(C)C(=O)[C@H]1CNC(=O)N1 ZINC001445034471 891593439 /nfs/dbraw/zinc/59/34/39/891593439.db2.gz KUHXFNUUFJLGFI-MRVPVSSYSA-N 1 2 271.321 -2.196 20 0 CAADLO CNC(=O)C[N@@H+](C)CCN(C)C(=O)[C@H]1CNC(=O)N1 ZINC001445034471 891593444 /nfs/dbraw/zinc/59/34/44/891593444.db2.gz KUHXFNUUFJLGFI-MRVPVSSYSA-N 1 2 271.321 -2.196 20 0 CAADLO CC(C)NC(=O)C[N@H+](C)CCN(C)C(=O)[C@H]1CNC(=O)N1 ZINC001445036278 891593549 /nfs/dbraw/zinc/59/35/49/891593549.db2.gz NNVAUJRROLLSED-SNVBAGLBSA-N 1 2 299.375 -1.417 20 0 CAADLO CC(C)NC(=O)C[N@@H+](C)CCN(C)C(=O)[C@H]1CNC(=O)N1 ZINC001445036278 891593560 /nfs/dbraw/zinc/59/35/60/891593560.db2.gz NNVAUJRROLLSED-SNVBAGLBSA-N 1 2 299.375 -1.417 20 0 CAADLO CC(=O)N(C)CC(=O)NC[C@H](O)C[NH2+]Cc1nc(C)no1 ZINC001445135712 891603218 /nfs/dbraw/zinc/60/32/18/891603218.db2.gz LESNAXDJQUVOEV-SNVBAGLBSA-N 1 2 299.331 -1.577 20 0 CAADLO CCc1noc(C[NH2+]C[C@@H](O)CNC(=O)CNC(C)=O)n1 ZINC001445152339 891605891 /nfs/dbraw/zinc/60/58/91/891605891.db2.gz UYAWAIMJAIHFEP-SECBINFHSA-N 1 2 299.331 -1.665 20 0 CAADLO CCc1noc(C[NH2+]C[C@H](O)CNC(=O)CNC(C)=O)n1 ZINC001445152344 891607518 /nfs/dbraw/zinc/60/75/18/891607518.db2.gz UYAWAIMJAIHFEP-VIFPVBQESA-N 1 2 299.331 -1.665 20 0 CAADLO Cc1nnc(C[NH2+]C[C@@H](O)CNC(=O)c2cn(C)cn2)o1 ZINC001445147639 891607658 /nfs/dbraw/zinc/60/76/58/891607658.db2.gz CFSQJRHDFCUCRW-SECBINFHSA-N 1 2 294.315 -1.008 20 0 CAADLO Cn1ccnc1C[NH2+]C[C@@H](O)CNC(=O)c1nnc[nH]1 ZINC001445256207 891624837 /nfs/dbraw/zinc/62/48/37/891624837.db2.gz QAEQLACXAZBKKH-MRVPVSSYSA-N 1 2 279.304 -1.581 20 0 CAADLO Cn1ccnc1C[NH2+]C[C@@H](O)CNC(=O)c1nc[nH]n1 ZINC001445256207 891624849 /nfs/dbraw/zinc/62/48/49/891624849.db2.gz QAEQLACXAZBKKH-MRVPVSSYSA-N 1 2 279.304 -1.581 20 0 CAADLO Cn1ccnc1C[NH2+]C[C@@H](O)CNC(=O)c1ncn[nH]1 ZINC001445256207 891624855 /nfs/dbraw/zinc/62/48/55/891624855.db2.gz QAEQLACXAZBKKH-MRVPVSSYSA-N 1 2 279.304 -1.581 20 0 CAADLO Cc1nnc(C[NH2+]C[C@@H](O)CNC(=O)Cc2c[nH]cn2)[nH]1 ZINC001445258445 891625034 /nfs/dbraw/zinc/62/50/34/891625034.db2.gz RNPYEZBVMJXCNC-SNVBAGLBSA-N 1 2 293.331 -1.354 20 0 CAADLO Cc1conc1C[NH2+]C[C@@H](O)CNC(=O)c1nnc[nH]1 ZINC001445259175 891626312 /nfs/dbraw/zinc/62/63/12/891626312.db2.gz UDPNNNNYPGSNSG-MRVPVSSYSA-N 1 2 280.288 -1.018 20 0 CAADLO Cc1noc(C[NH2+]C[C@H](O)CNC(=O)Cc2ncc[nH]2)n1 ZINC001445283524 891628498 /nfs/dbraw/zinc/62/84/98/891628498.db2.gz ZTZCVWOQKRSJNZ-VIFPVBQESA-N 1 2 294.315 -1.089 20 0 CAADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)c1ccc(=O)[nH]n1 ZINC001445374060 891633843 /nfs/dbraw/zinc/63/38/43/891633843.db2.gz PQRGZMLXMBQIAE-JTQLQIEISA-N 1 2 296.327 -1.053 20 0 CAADLO Cc1nnc(C[NH2+]C[C@@H](C)NC(=O)c2nnn(C)n2)o1 ZINC001445424490 891637280 /nfs/dbraw/zinc/63/72/80/891637280.db2.gz ROLSFSPHLPAVNM-ZCFIWIBFSA-N 1 2 280.292 -1.190 20 0 CAADLO CCOCC(=O)N1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001445498219 891640672 /nfs/dbraw/zinc/64/06/72/891640672.db2.gz LZNIZWGGIDBOSQ-GHMZBOCLSA-N 1 2 296.327 -1.393 20 0 CAADLO C[C@@H](C[N@H+](C)Cc1cnnn1C)NC(=O)Cn1ncnn1 ZINC001445758238 891654374 /nfs/dbraw/zinc/65/43/74/891654374.db2.gz SWRMCEQBLZKSNE-VIFPVBQESA-N 1 2 293.335 -1.562 20 0 CAADLO C[C@@H](C[N@@H+](C)Cc1cnnn1C)NC(=O)Cn1ncnn1 ZINC001445758238 891654378 /nfs/dbraw/zinc/65/43/78/891654378.db2.gz SWRMCEQBLZKSNE-VIFPVBQESA-N 1 2 293.335 -1.562 20 0 CAADLO CNC(=O)NCC(=O)N[C@@H](C)C[N@H+](C)Cc1cnnn1C ZINC001445726146 891654413 /nfs/dbraw/zinc/65/44/13/891654413.db2.gz CQEXZWFVVNHJSX-VIFPVBQESA-N 1 2 297.363 -1.319 20 0 CAADLO CNC(=O)NCC(=O)N[C@@H](C)C[N@@H+](C)Cc1cnnn1C ZINC001445726146 891654420 /nfs/dbraw/zinc/65/44/20/891654420.db2.gz CQEXZWFVVNHJSX-VIFPVBQESA-N 1 2 297.363 -1.319 20 0 CAADLO C[C@@H](C[N@H+](C)Cc1cnnn1C)NC(=O)CCNC(N)=O ZINC001445867215 891655564 /nfs/dbraw/zinc/65/55/64/891655564.db2.gz UJAMJNFJHBHSRN-VIFPVBQESA-N 1 2 297.363 -1.190 20 0 CAADLO C[C@@H](C[N@@H+](C)Cc1cnnn1C)NC(=O)CCNC(N)=O ZINC001445867215 891655574 /nfs/dbraw/zinc/65/55/74/891655574.db2.gz UJAMJNFJHBHSRN-VIFPVBQESA-N 1 2 297.363 -1.190 20 0 CAADLO CC[C@@H](C(N)=O)[N@@H+]1CC[C@H]1CNC(=O)CNC(=O)OC ZINC001446034596 891658125 /nfs/dbraw/zinc/65/81/25/891658125.db2.gz GJOSCUMBFNHSPG-IUCAKERBSA-N 1 2 286.332 -1.203 20 0 CAADLO CC[C@@H](C(N)=O)[N@H+]1CC[C@H]1CNC(=O)CNC(=O)OC ZINC001446034596 891658129 /nfs/dbraw/zinc/65/81/29/891658129.db2.gz GJOSCUMBFNHSPG-IUCAKERBSA-N 1 2 286.332 -1.203 20 0 CAADLO CC[C@@H](C(N)=O)[N@@H+]1CC[C@@H]1CNC(=O)CNC(=O)OC ZINC001446034591 891658247 /nfs/dbraw/zinc/65/82/47/891658247.db2.gz GJOSCUMBFNHSPG-BDAKNGLRSA-N 1 2 286.332 -1.203 20 0 CAADLO CC[C@@H](C(N)=O)[N@H+]1CC[C@@H]1CNC(=O)CNC(=O)OC ZINC001446034591 891658253 /nfs/dbraw/zinc/65/82/53/891658253.db2.gz GJOSCUMBFNHSPG-BDAKNGLRSA-N 1 2 286.332 -1.203 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+]1CC[C@H]1CNC(=O)CN(C)C(C)=O ZINC001446020054 891658572 /nfs/dbraw/zinc/65/85/72/891658572.db2.gz RRNOXBDOPSOWJF-ONGXEEELSA-N 1 2 284.360 -1.210 20 0 CAADLO CNC(=O)[C@H](C)[N@H+]1CC[C@H]1CNC(=O)CN(C)C(C)=O ZINC001446020054 891658579 /nfs/dbraw/zinc/65/85/79/891658579.db2.gz RRNOXBDOPSOWJF-ONGXEEELSA-N 1 2 284.360 -1.210 20 0 CAADLO CC[C@H](C(N)=O)[N@@H+]1CC[C@H]1CNC(=O)CNC(=O)OC ZINC001446034594 891659151 /nfs/dbraw/zinc/65/91/51/891659151.db2.gz GJOSCUMBFNHSPG-DTWKUNHWSA-N 1 2 286.332 -1.203 20 0 CAADLO CC[C@H](C(N)=O)[N@H+]1CC[C@H]1CNC(=O)CNC(=O)OC ZINC001446034594 891659156 /nfs/dbraw/zinc/65/91/56/891659156.db2.gz GJOSCUMBFNHSPG-DTWKUNHWSA-N 1 2 286.332 -1.203 20 0 CAADLO CC[C@H](C(N)=O)[N@@H+]1CC[C@@H]1CNC(=O)CNC(=O)OC ZINC001446034598 891659370 /nfs/dbraw/zinc/65/93/70/891659370.db2.gz GJOSCUMBFNHSPG-RKDXNWHRSA-N 1 2 286.332 -1.203 20 0 CAADLO CC[C@H](C(N)=O)[N@H+]1CC[C@@H]1CNC(=O)CNC(=O)OC ZINC001446034598 891659376 /nfs/dbraw/zinc/65/93/76/891659376.db2.gz GJOSCUMBFNHSPG-RKDXNWHRSA-N 1 2 286.332 -1.203 20 0 CAADLO CNC(=O)NCCC(=O)NC[C@@H]1CC[N@@H+]1[C@H](C)C(N)=O ZINC001446029315 891660250 /nfs/dbraw/zinc/66/02/50/891660250.db2.gz FKXHMHDHFKOVIY-BDAKNGLRSA-N 1 2 285.348 -1.630 20 0 CAADLO CNC(=O)NCCC(=O)NC[C@@H]1CC[N@H+]1[C@H](C)C(N)=O ZINC001446029315 891660256 /nfs/dbraw/zinc/66/02/56/891660256.db2.gz FKXHMHDHFKOVIY-BDAKNGLRSA-N 1 2 285.348 -1.630 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+]1CC[C@@H]1CNC(=O)Cc1nnc(C)[nH]1 ZINC001446039940 891661447 /nfs/dbraw/zinc/66/14/47/891661447.db2.gz LYQXAPZLDOFLFT-PSASIEDQSA-N 1 2 294.359 -1.019 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+]1CC[C@@H]1CNC(=O)Cc1nnc(C)[nH]1 ZINC001446039940 891661453 /nfs/dbraw/zinc/66/14/53/891661453.db2.gz LYQXAPZLDOFLFT-PSASIEDQSA-N 1 2 294.359 -1.019 20 0 CAADLO COC[C@@H](O)C[N@@H+]1CC[C@@H]1CNC(=O)Cc1n[nH]c(C)n1 ZINC001446048663 891661489 /nfs/dbraw/zinc/66/14/89/891661489.db2.gz UEWBFJFBOIKMOH-MNOVXSKESA-N 1 2 297.359 -1.147 20 0 CAADLO COC[C@@H](O)C[N@H+]1CC[C@@H]1CNC(=O)Cc1n[nH]c(C)n1 ZINC001446048663 891661499 /nfs/dbraw/zinc/66/14/99/891661499.db2.gz UEWBFJFBOIKMOH-MNOVXSKESA-N 1 2 297.359 -1.147 20 0 CAADLO CCN(C)C(=O)C[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CNC(=O)N1 ZINC001446069926 891662368 /nfs/dbraw/zinc/66/23/68/891662368.db2.gz FHZVDDGHJALFTF-UWVGGRQHSA-N 1 2 297.359 -1.663 20 0 CAADLO CCN(C)C(=O)C[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CNC(=O)N1 ZINC001446069926 891662377 /nfs/dbraw/zinc/66/23/77/891662377.db2.gz FHZVDDGHJALFTF-UWVGGRQHSA-N 1 2 297.359 -1.663 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+]1CC[C@H]1CNC(=O)CCCC(N)=O ZINC001446114014 891662400 /nfs/dbraw/zinc/66/24/00/891662400.db2.gz BQSUPTDLWLGMMF-UWVGGRQHSA-N 1 2 284.360 -1.033 20 0 CAADLO CNC(=O)[C@H](C)[N@H+]1CC[C@H]1CNC(=O)CCCC(N)=O ZINC001446114014 891662408 /nfs/dbraw/zinc/66/24/08/891662408.db2.gz BQSUPTDLWLGMMF-UWVGGRQHSA-N 1 2 284.360 -1.033 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+]1CC[C@@H]1CNC(=O)Cc1nnc(C)[nH]1 ZINC001446039942 891663673 /nfs/dbraw/zinc/66/36/73/891663673.db2.gz LYQXAPZLDOFLFT-WCBMZHEXSA-N 1 2 294.359 -1.019 20 0 CAADLO CNC(=O)[C@H](C)[N@H+]1CC[C@@H]1CNC(=O)Cc1nnc(C)[nH]1 ZINC001446039942 891663682 /nfs/dbraw/zinc/66/36/82/891663682.db2.gz LYQXAPZLDOFLFT-WCBMZHEXSA-N 1 2 294.359 -1.019 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CC[C@@H]1CNC(=O)CNC(=O)C1CC1 ZINC001446048236 891663966 /nfs/dbraw/zinc/66/39/66/891663966.db2.gz VXNIXBACRYZHHM-WCBMZHEXSA-N 1 2 282.344 -1.423 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CC[C@@H]1CNC(=O)CNC(=O)C1CC1 ZINC001446048236 891663974 /nfs/dbraw/zinc/66/39/74/891663974.db2.gz VXNIXBACRYZHHM-WCBMZHEXSA-N 1 2 282.344 -1.423 20 0 CAADLO COC(=O)NCC(=O)NC[C@H]1CC[N@@H+]1[C@H](C)C(N)=O ZINC001446048556 891663996 /nfs/dbraw/zinc/66/39/96/891663996.db2.gz WNBRXLRQWGHXBB-HTQZYQBOSA-N 1 2 272.305 -1.593 20 0 CAADLO COC(=O)NCC(=O)NC[C@H]1CC[N@H+]1[C@H](C)C(N)=O ZINC001446048556 891664006 /nfs/dbraw/zinc/66/40/06/891664006.db2.gz WNBRXLRQWGHXBB-HTQZYQBOSA-N 1 2 272.305 -1.593 20 0 CAADLO O=C(Cc1nc[nH]n1)NC[C@H]1CC[N@@H+]1[C@H]1CCCNC1=O ZINC001446133094 891665437 /nfs/dbraw/zinc/66/54/37/891665437.db2.gz VWPNHBUYMINGBC-ZJUUUORDSA-N 1 2 292.343 -1.184 20 0 CAADLO O=C(Cc1nc[nH]n1)NC[C@H]1CC[N@H+]1[C@H]1CCCNC1=O ZINC001446133094 891665452 /nfs/dbraw/zinc/66/54/52/891665452.db2.gz VWPNHBUYMINGBC-ZJUUUORDSA-N 1 2 292.343 -1.184 20 0 CAADLO CNC(=O)NCC(=O)NCC1([NH2+]Cc2nnc(C)[nH]2)CC1 ZINC001446182332 891665950 /nfs/dbraw/zinc/66/59/50/891665950.db2.gz JCOIUAMWOFOXFF-UHFFFAOYSA-N 1 2 295.347 -1.219 20 0 CAADLO O=C(Cc1nc[nH]n1)NC[C@@H]1CC[N@@H+]1[C@H]1CCCNC1=O ZINC001446133089 891666258 /nfs/dbraw/zinc/66/62/58/891666258.db2.gz VWPNHBUYMINGBC-UWVGGRQHSA-N 1 2 292.343 -1.184 20 0 CAADLO O=C(Cc1nc[nH]n1)NC[C@@H]1CC[N@H+]1[C@H]1CCCNC1=O ZINC001446133089 891666262 /nfs/dbraw/zinc/66/62/62/891666262.db2.gz VWPNHBUYMINGBC-UWVGGRQHSA-N 1 2 292.343 -1.184 20 0 CAADLO CN1CC[C@@H]([N@@H+]2CC[C@@H]2CNC(=O)Cc2nc[nH]n2)C1=O ZINC001446126886 891666310 /nfs/dbraw/zinc/66/63/10/891666310.db2.gz KBZKQGWHCRMBCO-NXEZZACHSA-N 1 2 292.343 -1.232 20 0 CAADLO CN1CC[C@@H]([N@H+]2CC[C@@H]2CNC(=O)Cc2nc[nH]n2)C1=O ZINC001446126886 891666315 /nfs/dbraw/zinc/66/63/15/891666315.db2.gz KBZKQGWHCRMBCO-NXEZZACHSA-N 1 2 292.343 -1.232 20 0 CAADLO CN1CC[C@@H]([N@@H+]2CC[C@H]2CNC(=O)Cc2nc[nH]n2)C1=O ZINC001446126899 891666701 /nfs/dbraw/zinc/66/67/01/891666701.db2.gz KBZKQGWHCRMBCO-VHSXEESVSA-N 1 2 292.343 -1.232 20 0 CAADLO CN1CC[C@@H]([N@H+]2CC[C@H]2CNC(=O)Cc2nc[nH]n2)C1=O ZINC001446126899 891666706 /nfs/dbraw/zinc/66/67/06/891666706.db2.gz KBZKQGWHCRMBCO-VHSXEESVSA-N 1 2 292.343 -1.232 20 0 CAADLO Cn1nnnc1C[NH2+]C1(CNC(=O)Cn2cccn2)CC1 ZINC001446133940 891666755 /nfs/dbraw/zinc/66/67/55/891666755.db2.gz MYJSTEOQGSQLKH-UHFFFAOYSA-N 1 2 290.331 -1.155 20 0 CAADLO CN1CC[C@H]([N@@H+]2CC[C@H]2CNC(=O)Cc2nc[nH]n2)C1=O ZINC001446126895 891667746 /nfs/dbraw/zinc/66/77/46/891667746.db2.gz KBZKQGWHCRMBCO-UWVGGRQHSA-N 1 2 292.343 -1.232 20 0 CAADLO CN1CC[C@H]([N@H+]2CC[C@H]2CNC(=O)Cc2nc[nH]n2)C1=O ZINC001446126895 891667759 /nfs/dbraw/zinc/66/77/59/891667759.db2.gz KBZKQGWHCRMBCO-UWVGGRQHSA-N 1 2 292.343 -1.232 20 0 CAADLO Cn1cnnc1C[NH2+]C1(CNC(=O)c2nnn(C)n2)CC1 ZINC001446221189 891668805 /nfs/dbraw/zinc/66/88/05/891668805.db2.gz HVVWWVKPLUYAOE-UHFFFAOYSA-N 1 2 291.319 -1.609 20 0 CAADLO Cn1cnnc1C[NH2+]C1(CNC(=O)c2cnn(C)n2)CC1 ZINC001446266868 891669648 /nfs/dbraw/zinc/66/96/48/891669648.db2.gz VKOAKCKEHZLOQA-UHFFFAOYSA-N 1 2 290.331 -1.004 20 0 CAADLO CNS(=O)(=O)CCC(=O)N(C)C1C[NH+](CCOC)C1 ZINC001446354580 891674632 /nfs/dbraw/zinc/67/46/32/891674632.db2.gz ZMMUILFSFXKSSQ-UHFFFAOYSA-N 1 2 293.389 -1.285 20 0 CAADLO CN(C(=O)CCCS(N)(=O)=O)C1C[NH+](CCO)C1 ZINC001446380745 891675548 /nfs/dbraw/zinc/67/55/48/891675548.db2.gz MFOMDVDJLGJUNJ-UHFFFAOYSA-N 1 2 279.362 -1.810 20 0 CAADLO COC[C@H](O)C[NH+]1CC(N(C)C(=O)[C@H]2COC(=O)N2)C1 ZINC001446364156 891675896 /nfs/dbraw/zinc/67/58/96/891675896.db2.gz IBADMXRVDJHQQE-NXEZZACHSA-N 1 2 287.316 -1.755 20 0 CAADLO COC[C@H](O)C[NH+]1CC(N(C)C(=O)[C@@H]2COC(=O)N2)C1 ZINC001446364160 891676317 /nfs/dbraw/zinc/67/63/17/891676317.db2.gz IBADMXRVDJHQQE-ZJUUUORDSA-N 1 2 287.316 -1.755 20 0 CAADLO CCNC(=O)C[N@@H+]1CC[C@@](C)(NC(=O)c2nnn(C)n2)C1 ZINC001446546168 891678077 /nfs/dbraw/zinc/67/80/77/891678077.db2.gz XGIBMUZATZXXGL-GFCCVEGCSA-N 1 2 295.347 -1.460 20 0 CAADLO CCNC(=O)C[N@H+]1CC[C@@](C)(NC(=O)c2nnn(C)n2)C1 ZINC001446546168 891678086 /nfs/dbraw/zinc/67/80/86/891678086.db2.gz XGIBMUZATZXXGL-GFCCVEGCSA-N 1 2 295.347 -1.460 20 0 CAADLO CC(C)C(=O)NC[C@]1(O)CC[N@H+](Cc2nc(=O)n(C)[nH]2)C1 ZINC001446745700 891685677 /nfs/dbraw/zinc/68/56/77/891685677.db2.gz XVJPHOMGRCJIAZ-CYBMUJFWSA-N 1 2 297.359 -1.183 20 0 CAADLO CC(C)C(=O)NC[C@]1(O)CC[N@@H+](Cc2nc(=O)n(C)[nH]2)C1 ZINC001446745700 891685681 /nfs/dbraw/zinc/68/56/81/891685681.db2.gz XVJPHOMGRCJIAZ-CYBMUJFWSA-N 1 2 297.359 -1.183 20 0 CAADLO CO[C@H](C)C(=O)NC[C@@]1(O)CC[N@H+](Cc2cn(C)nn2)C1 ZINC001446746119 891687857 /nfs/dbraw/zinc/68/78/57/891687857.db2.gz HZGPGILFFALDPN-MFKMUULPSA-N 1 2 297.359 -1.097 20 0 CAADLO CO[C@H](C)C(=O)NC[C@@]1(O)CC[N@@H+](Cc2cn(C)nn2)C1 ZINC001446746119 891687868 /nfs/dbraw/zinc/68/78/68/891687868.db2.gz HZGPGILFFALDPN-MFKMUULPSA-N 1 2 297.359 -1.097 20 0 CAADLO C[C@@H](O)C[NH+]1CC(O)(CNC(=O)C[C@@H]2COC(=O)C2)C1 ZINC001446825499 891692664 /nfs/dbraw/zinc/69/26/64/891692664.db2.gz AGBTZPRVVSTIRU-ZJUUUORDSA-N 1 2 286.328 -1.517 20 0 CAADLO C[C@H](O)C[NH+]1CC(O)(CNC(=O)C[C@@H]2COC(=O)C2)C1 ZINC001446825496 891692703 /nfs/dbraw/zinc/69/27/03/891692703.db2.gz AGBTZPRVVSTIRU-UWVGGRQHSA-N 1 2 286.328 -1.517 20 0 CAADLO C[C@@H](O)C[NH+]1CC(O)(CNC(=O)[C@H](C)n2cccn2)C1 ZINC001446821534 891692936 /nfs/dbraw/zinc/69/29/36/891692936.db2.gz IPRNUSGHPGHHIX-MNOVXSKESA-N 1 2 282.344 -1.012 20 0 CAADLO CC(=O)N[C@@H](C)C(=O)NCC1(O)C[NH+](CCCO)C1 ZINC001446817104 891693318 /nfs/dbraw/zinc/69/33/18/891693318.db2.gz RQIIMXMTJAQJBK-VIFPVBQESA-N 1 2 273.333 -1.944 20 0 CAADLO COC(=O)[C@H]1C[C@@H]1C(=O)NCC1(O)C[NH+](CCCO)C1 ZINC001446830265 891693808 /nfs/dbraw/zinc/69/38/08/891693808.db2.gz LVWXQEPJOHPWDG-UWVGGRQHSA-N 1 2 286.328 -1.659 20 0 CAADLO C[C@H](C(=O)NCC1(O)C[NH+](C[C@H](C)O)C1)n1cccn1 ZINC001446821540 891693839 /nfs/dbraw/zinc/69/38/39/891693839.db2.gz IPRNUSGHPGHHIX-WDEREUQCSA-N 1 2 282.344 -1.012 20 0 CAADLO CC(=O)N(C)CC(=O)NCC1(O)C[NH+](CCCO)C1 ZINC001446820262 891693992 /nfs/dbraw/zinc/69/39/92/891693992.db2.gz BDXIVEXJEFBCLZ-UHFFFAOYSA-N 1 2 273.333 -1.990 20 0 CAADLO Cc1ncncc1C(=O)NCC1(O)C[NH+](C[C@@H](C)O)C1 ZINC001446832509 891694099 /nfs/dbraw/zinc/69/40/99/891694099.db2.gz CDMFJEAFXNSTQM-SECBINFHSA-N 1 2 280.328 -1.058 20 0 CAADLO COC[C@@H](C)[NH+]1CC(O)(CNC(=O)Cc2nnc(C)[nH]2)C1 ZINC001446841681 891697163 /nfs/dbraw/zinc/69/71/63/891697163.db2.gz HEWIGKHDLFADSF-SECBINFHSA-N 1 2 297.359 -1.147 20 0 CAADLO Cc1cc(C(=O)NCC2(O)C[NH+](CCCO)C2)n(C)n1 ZINC001446833608 891697547 /nfs/dbraw/zinc/69/75/47/891697547.db2.gz GVXNRQQGUZWSPN-UHFFFAOYSA-N 1 2 282.344 -1.113 20 0 CAADLO Cc1[nH]c(=O)[nH]c1C(=O)NCC1(O)C[NH+](CCCO)C1 ZINC001446859315 891700188 /nfs/dbraw/zinc/70/01/88/891700188.db2.gz YERRYUQCVXIEAX-UHFFFAOYSA-N 1 2 284.316 -1.417 20 0 CAADLO COc1nn(C)cc1C(=O)NCC1(O)C[NH+](C[C@@H](C)O)C1 ZINC001446854808 891700308 /nfs/dbraw/zinc/70/03/08/891700308.db2.gz IQGRSFRZFHKHTD-SECBINFHSA-N 1 2 298.343 -1.414 20 0 CAADLO COc1nn(C)cc1C(=O)NCC1(O)C[NH+](C[C@H](C)O)C1 ZINC001446854822 891700507 /nfs/dbraw/zinc/70/05/07/891700507.db2.gz IQGRSFRZFHKHTD-VIFPVBQESA-N 1 2 298.343 -1.414 20 0 CAADLO Cc1noc(CCC(=O)NCC2(O)C[NH+](C[C@@H](C)O)C2)n1 ZINC001446854847 891700951 /nfs/dbraw/zinc/70/09/51/891700951.db2.gz JLIBXRHYXRKWNX-SECBINFHSA-N 1 2 298.343 -1.146 20 0 CAADLO Cc1cnn(C)c1C(=O)NCC1(O)C[NH+](C[C@@H](C)O)C1 ZINC001446863860 891700993 /nfs/dbraw/zinc/70/09/93/891700993.db2.gz OCOBLMQDJONOPL-SNVBAGLBSA-N 1 2 282.344 -1.114 20 0 CAADLO CNC(=O)[C@H](C)N1CC(O)(CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001446886780 891702289 /nfs/dbraw/zinc/70/22/89/891702289.db2.gz DIKDMMJWYYZKRR-VIFPVBQESA-N 1 2 295.343 -1.750 20 0 CAADLO C[C@H](C(=O)NCC1(O)C[NH+](CCCO)C1)[C@@H]1CCC(=O)N1 ZINC001446887385 891702919 /nfs/dbraw/zinc/70/29/19/891702919.db2.gz VCQYFCGTTAHJGP-QWRGUYRKSA-N 1 2 299.371 -1.554 20 0 CAADLO O=C(NCC1(O)C[NH+](CCCO)C1)[C@H]1C[C@]12CCOC2 ZINC001446902027 891703827 /nfs/dbraw/zinc/70/38/27/891703827.db2.gz UDLVOKWQYQKZLV-YPMHNXCESA-N 1 2 284.356 -1.042 20 0 CAADLO C[C@H](C(N)=O)N1CC(O)(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001446923984 891704112 /nfs/dbraw/zinc/70/41/12/891704112.db2.gz PZPVKZDKZQUWNG-SECBINFHSA-N 1 2 281.316 -2.080 20 0 CAADLO COC[C@@H](C)[NH+]1CC(O)(CNC(=O)C[C@@H]2CCC(=O)N2)C1 ZINC001446891794 891704643 /nfs/dbraw/zinc/70/46/43/891704643.db2.gz QRRGMLWQOJCFEE-MNOVXSKESA-N 1 2 299.371 -1.147 20 0 CAADLO COC[C@@H](OC)C(=O)NCC1(O)C[NH+](C[C@H](C)O)C1 ZINC001446876540 891704760 /nfs/dbraw/zinc/70/47/60/891704760.db2.gz NLLQTUQPQVDOTO-VHSXEESVSA-N 1 2 276.333 -1.809 20 0 CAADLO CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)Cc2ncn[nH]2)C[C@@H]1C ZINC001446943227 891706752 /nfs/dbraw/zinc/70/67/52/891706752.db2.gz RBPKYURMCQJGCG-VHSXEESVSA-N 1 2 294.359 -1.223 20 0 CAADLO CNC(=O)C[NH2+]C[C@H]1CN(C(=O)Cc2ncn[nH]2)C[C@@H]1C ZINC001446943225 891707551 /nfs/dbraw/zinc/70/75/51/891707551.db2.gz RBPKYURMCQJGCG-UWVGGRQHSA-N 1 2 294.359 -1.223 20 0 CAADLO COCC(=O)N[C@@]1(CO)CCC[N@H+](CC(=O)N(C)C)C1 ZINC001446994622 891707682 /nfs/dbraw/zinc/70/76/82/891707682.db2.gz ALGUZNIQJDTOFP-ZDUSSCGKSA-N 1 2 287.360 -1.336 20 0 CAADLO COCC(=O)N[C@@]1(CO)CCC[N@@H+](CC(=O)N(C)C)C1 ZINC001446994622 891707688 /nfs/dbraw/zinc/70/76/88/891707688.db2.gz ALGUZNIQJDTOFP-ZDUSSCGKSA-N 1 2 287.360 -1.336 20 0 CAADLO CC(=O)N[C@]1(CO)CCC[N@H+](CCNS(C)(=O)=O)C1 ZINC001446996513 891710388 /nfs/dbraw/zinc/71/03/88/891710388.db2.gz HSHYTVKNTSXWCI-LLVKDONJSA-N 1 2 293.389 -1.501 20 0 CAADLO CC(=O)N[C@]1(CO)CCC[N@@H+](CCNS(C)(=O)=O)C1 ZINC001446996513 891710396 /nfs/dbraw/zinc/71/03/96/891710396.db2.gz HSHYTVKNTSXWCI-LLVKDONJSA-N 1 2 293.389 -1.501 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CCC[C@](CO)(NC(=O)c2ncc[nH]2)C1 ZINC001447006629 891710634 /nfs/dbraw/zinc/71/06/34/891710634.db2.gz ROEINRLLCBDWPJ-RNCFNFMXSA-N 1 2 295.343 -1.160 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CCC[C@](CO)(NC(=O)c2ncc[nH]2)C1 ZINC001447006629 891710639 /nfs/dbraw/zinc/71/06/39/891710639.db2.gz ROEINRLLCBDWPJ-RNCFNFMXSA-N 1 2 295.343 -1.160 20 0 CAADLO CC(=O)N[C@@]1(CO)CCC[N@H+](CCNS(C)(=O)=O)C1 ZINC001446996516 891710653 /nfs/dbraw/zinc/71/06/53/891710653.db2.gz HSHYTVKNTSXWCI-NSHDSACASA-N 1 2 293.389 -1.501 20 0 CAADLO CC(=O)N[C@@]1(CO)CCC[N@@H+](CCNS(C)(=O)=O)C1 ZINC001446996516 891710657 /nfs/dbraw/zinc/71/06/57/891710657.db2.gz HSHYTVKNTSXWCI-NSHDSACASA-N 1 2 293.389 -1.501 20 0 CAADLO CCOCC(=O)N[C@]1(CO)CCC[N@H+](CC(=O)NC)C1 ZINC001447098454 891714926 /nfs/dbraw/zinc/71/49/26/891714926.db2.gz SBZFQOJFMAHKDJ-CYBMUJFWSA-N 1 2 287.360 -1.288 20 0 CAADLO CCOCC(=O)N[C@]1(CO)CCC[N@@H+](CC(=O)NC)C1 ZINC001447098454 891714934 /nfs/dbraw/zinc/71/49/34/891714934.db2.gz SBZFQOJFMAHKDJ-CYBMUJFWSA-N 1 2 287.360 -1.288 20 0 CAADLO NC(=O)NCC(=O)N1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001447052686 891715340 /nfs/dbraw/zinc/71/53/40/891715340.db2.gz VLFAROWMLLODBA-MRVPVSSYSA-N 1 2 294.315 -1.662 20 0 CAADLO O=C(Cn1ncnn1)NCC1([NH2+]Cc2cnon2)CCC1 ZINC001447196013 891716200 /nfs/dbraw/zinc/71/62/00/891716200.db2.gz FMANWYACYFJYFA-UHFFFAOYSA-N 1 2 292.303 -1.115 20 0 CAADLO CCC[N@@H+]1CCOC[C@@H]1CNC(=O)Cn1ncn(C)c1=O ZINC001447142784 891717695 /nfs/dbraw/zinc/71/76/95/891717695.db2.gz QSFLHBYVCVNPHP-NSHDSACASA-N 1 2 297.359 -1.191 20 0 CAADLO CCC[N@H+]1CCOC[C@@H]1CNC(=O)Cn1ncn(C)c1=O ZINC001447142784 891717703 /nfs/dbraw/zinc/71/77/03/891717703.db2.gz QSFLHBYVCVNPHP-NSHDSACASA-N 1 2 297.359 -1.191 20 0 CAADLO O=C(CCn1cnnn1)NC[C@H]1COCC[N@H+]1CCCO ZINC001447146082 891718191 /nfs/dbraw/zinc/71/81/91/891718191.db2.gz KLTDHJALKWTHEP-NSHDSACASA-N 1 2 298.347 -1.737 20 0 CAADLO O=C(CCn1cnnn1)NC[C@H]1COCC[N@@H+]1CCCO ZINC001447146082 891718201 /nfs/dbraw/zinc/71/82/01/891718201.db2.gz KLTDHJALKWTHEP-NSHDSACASA-N 1 2 298.347 -1.737 20 0 CAADLO C[C@H]([NH2+]C[C@H]1CN(C(=O)Cc2ncn[nH]2)CCO1)C(N)=O ZINC001447315820 891721223 /nfs/dbraw/zinc/72/12/23/891721223.db2.gz VWFIJYSRGKUXGS-IUCAKERBSA-N 1 2 296.331 -1.962 20 0 CAADLO CC(=O)NCC(=O)N1CC[C@@H]([NH+]2CCN(CCO)CC2)C1 ZINC001447288602 891722490 /nfs/dbraw/zinc/72/24/90/891722490.db2.gz IKWZSZXKHAJJER-CYBMUJFWSA-N 1 2 298.387 -1.667 20 0 CAADLO CC(=O)NCC(=O)N[C@H]1COC2(C[NH+](C[C@H](C)O)C2)C1 ZINC001447400468 891724861 /nfs/dbraw/zinc/72/48/61/891724861.db2.gz MHGHUORVEZCFCG-GXSJLCMTSA-N 1 2 285.344 -1.537 20 0 CAADLO CC(=O)NCC(=O)N[C@@H]1COC2(C[NH+](C[C@H](C)O)C2)C1 ZINC001447400477 891725455 /nfs/dbraw/zinc/72/54/55/891725455.db2.gz MHGHUORVEZCFCG-ONGXEEELSA-N 1 2 285.344 -1.537 20 0 CAADLO CC(=O)NCC(=O)N[C@@H]1COC2(C[NH+](C[C@@H](C)O)C2)C1 ZINC001447400471 891726297 /nfs/dbraw/zinc/72/62/97/891726297.db2.gz MHGHUORVEZCFCG-KOLCDFICSA-N 1 2 285.344 -1.537 20 0 CAADLO NC(=O)C[NH2+]CC1(NC(=O)c2[nH]ncc2F)CCOCC1 ZINC001447494590 891727700 /nfs/dbraw/zinc/72/77/00/891727700.db2.gz WMEMJTNDQWBHRG-UHFFFAOYSA-N 1 2 299.306 -1.097 20 0 CAADLO C[C@@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)NC(=O)c1nnc[nH]1 ZINC001447857931 891740334 /nfs/dbraw/zinc/74/03/34/891740334.db2.gz WLUMXEWMILXYTD-IUCAKERBSA-N 1 2 296.331 -1.630 20 0 CAADLO C[C@@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)NC(=O)c1nnc[nH]1 ZINC001447857931 891740348 /nfs/dbraw/zinc/74/03/48/891740348.db2.gz WLUMXEWMILXYTD-IUCAKERBSA-N 1 2 296.331 -1.630 20 0 CAADLO C[C@@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)NC(=O)c1nnc[nH]1 ZINC001447857926 891742538 /nfs/dbraw/zinc/74/25/38/891742538.db2.gz WLUMXEWMILXYTD-DTWKUNHWSA-N 1 2 296.331 -1.630 20 0 CAADLO C[C@@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)NC(=O)c1nnc[nH]1 ZINC001447857926 891742545 /nfs/dbraw/zinc/74/25/45/891742545.db2.gz WLUMXEWMILXYTD-DTWKUNHWSA-N 1 2 296.331 -1.630 20 0 CAADLO CCC(=O)NC[C@H](C)[N@H+](C)CC(=O)N1CCNC(=O)C1 ZINC001447972861 891745645 /nfs/dbraw/zinc/74/56/45/891745645.db2.gz JNUUBBYWOKEVRG-JTQLQIEISA-N 1 2 284.360 -1.209 20 0 CAADLO CCC(=O)NC[C@H](C)[N@@H+](C)CC(=O)N1CCNC(=O)C1 ZINC001447972861 891745653 /nfs/dbraw/zinc/74/56/53/891745653.db2.gz JNUUBBYWOKEVRG-JTQLQIEISA-N 1 2 284.360 -1.209 20 0 CAADLO NC(=O)N[C@H](CO)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC001448022513 891747054 /nfs/dbraw/zinc/74/70/54/891747054.db2.gz JNQNSMMGUXMIJE-JGVFFNPUSA-N 1 2 267.289 -1.657 20 0 CAADLO NC(=O)N[C@@H](CO)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC001448022515 891748260 /nfs/dbraw/zinc/74/82/60/891748260.db2.gz JNQNSMMGUXMIJE-SFYZADRCSA-N 1 2 267.289 -1.657 20 0 CAADLO CNC(=O)NC(=O)C[N@H+](C)[C@H](C)CNC(=O)c1cn[nH]n1 ZINC001448045876 891749798 /nfs/dbraw/zinc/74/97/98/891749798.db2.gz VLPVXCQHZHSFIA-SSDOTTSWSA-N 1 2 297.319 -1.690 20 0 CAADLO CNC(=O)NC(=O)C[N@@H+](C)[C@H](C)CNC(=O)c1cn[nH]n1 ZINC001448045876 891749808 /nfs/dbraw/zinc/74/98/08/891749808.db2.gz VLPVXCQHZHSFIA-SSDOTTSWSA-N 1 2 297.319 -1.690 20 0 CAADLO CNC(=O)NC(=O)C[N@H+](C)[C@H](C)CNC(=O)c1cnn[nH]1 ZINC001448045876 891749818 /nfs/dbraw/zinc/74/98/18/891749818.db2.gz VLPVXCQHZHSFIA-SSDOTTSWSA-N 1 2 297.319 -1.690 20 0 CAADLO CNC(=O)NC(=O)C[N@@H+](C)[C@H](C)CNC(=O)c1cnn[nH]1 ZINC001448045876 891749824 /nfs/dbraw/zinc/74/98/24/891749824.db2.gz VLPVXCQHZHSFIA-SSDOTTSWSA-N 1 2 297.319 -1.690 20 0 CAADLO COCC[NH+]1CC(CCO)(NC(=O)[C@H]2COC(=O)N2)C1 ZINC001448164823 891753227 /nfs/dbraw/zinc/75/32/27/891753227.db2.gz ZMNTVMDTEQRYRQ-SECBINFHSA-N 1 2 287.316 -1.706 20 0 CAADLO O=C(NC1(CCO)C[NH+](CCCO)C1)[C@H]1CCC(=O)N1 ZINC001448161060 891754191 /nfs/dbraw/zinc/75/41/91/891754191.db2.gz LWFIIPORWOXDCU-SNVBAGLBSA-N 1 2 285.344 -1.800 20 0 CAADLO COCC[NH+]1CC(CCO)(NC(=O)[C@@H]2COC(=O)N2)C1 ZINC001448164825 891754455 /nfs/dbraw/zinc/75/44/55/891754455.db2.gz ZMNTVMDTEQRYRQ-VIFPVBQESA-N 1 2 287.316 -1.706 20 0 CAADLO CCn1nncc1C(=O)NC1(CCO)C[NH+](CCCO)C1 ZINC001448168130 891754732 /nfs/dbraw/zinc/75/47/32/891754732.db2.gz DYRVQZGRZKCCND-UHFFFAOYSA-N 1 2 297.359 -1.153 20 0 CAADLO Cn1cncc1C(=O)NC1(CCO)C[NH+](CCCO)C1 ZINC001448177670 891754812 /nfs/dbraw/zinc/75/48/12/891754812.db2.gz HSVLPUANVHGYMX-UHFFFAOYSA-N 1 2 282.344 -1.031 20 0 CAADLO CN1CC[C@@H](CC(=O)NC2(CCO)C[NH+](CCO)C2)C1=O ZINC001448174387 891755196 /nfs/dbraw/zinc/75/51/96/891755196.db2.gz IOPNBJZOSZBKEY-NSHDSACASA-N 1 2 299.371 -1.600 20 0 CAADLO Cc1nnc(CC(=O)NC2(CCO)C[NH+](C[C@H](C)O)C2)[nH]1 ZINC001448168132 891755411 /nfs/dbraw/zinc/75/54/11/891755411.db2.gz DYXRMBVESOYCAI-VIFPVBQESA-N 1 2 297.359 -1.411 20 0 CAADLO CCn1cc(CC(=O)NC2(CCO)C[NH+](CCO)C2)cn1 ZINC001448200200 891757364 /nfs/dbraw/zinc/75/73/64/891757364.db2.gz NKXWPDCXVHJLFM-UHFFFAOYSA-N 1 2 296.371 -1.009 20 0 CAADLO COC[C@H](OC)C(=O)NC1(CCO)C[NH+](C[C@@H](C)O)C1 ZINC001448184624 891757496 /nfs/dbraw/zinc/75/74/96/891757496.db2.gz ABTRJSQZBIKZNB-MNOVXSKESA-N 1 2 290.360 -1.418 20 0 CAADLO C[C@@H](O)C[NH+]1CC(CCO)(NC(=O)Cc2ncc[nH]2)C1 ZINC001448199395 891757589 /nfs/dbraw/zinc/75/75/89/891757589.db2.gz HSBXVVFPBIVVPD-SNVBAGLBSA-N 1 2 282.344 -1.114 20 0 CAADLO Cn1cc(CCC(=O)NC2(CCO)C[NH+](CCO)C2)nn1 ZINC001448208763 891757642 /nfs/dbraw/zinc/75/76/42/891757642.db2.gz JKWAGLLSLSAUJD-UHFFFAOYSA-N 1 2 297.359 -1.707 20 0 CAADLO CNC(=O)C[NH+]1CC([C@@H](C)NC(=O)CCNC(=O)NC)C1 ZINC001448276911 891758859 /nfs/dbraw/zinc/75/88/59/891758859.db2.gz AJMCTBAGZZUQQY-SECBINFHSA-N 1 2 299.375 -1.512 20 0 CAADLO C[C@@H](O)C[NH+]1CC(CCO)(NC(=O)c2c[nH]c(=O)n2C)C1 ZINC001448180973 891757997 /nfs/dbraw/zinc/75/79/97/891757997.db2.gz XMCFKHOVIKCWAZ-SECBINFHSA-N 1 2 298.343 -1.327 20 0 CAADLO CC(=O)NCC(=O)N[C@@H](C)C1C[NH+](Cc2cnnn2C)C1 ZINC001448267241 891758084 /nfs/dbraw/zinc/75/80/84/891758084.db2.gz SSKUOKJSWFUNQW-VIFPVBQESA-N 1 2 294.359 -1.112 20 0 CAADLO CC(=O)NCC(=O)N[C@H](C)C1C[NH+](Cc2cnnn2C)C1 ZINC001448267237 891758285 /nfs/dbraw/zinc/75/82/85/891758285.db2.gz SSKUOKJSWFUNQW-SECBINFHSA-N 1 2 294.359 -1.112 20 0 CAADLO Cn1cccc(C(=O)NC2(CCO)C[NH+](CCO)C2)c1=O ZINC001448194322 891758362 /nfs/dbraw/zinc/75/83/62/891758362.db2.gz DADMASGKZISWKL-UHFFFAOYSA-N 1 2 295.339 -1.456 20 0 CAADLO COCC[NH+]1CC(CCO)(NC(=O)[C@H]2CC[C@H]2C(N)=O)C1 ZINC001448179694 891758552 /nfs/dbraw/zinc/75/85/52/891758552.db2.gz IQXNMIKGLSXFAQ-MNOVXSKESA-N 1 2 299.371 -1.303 20 0 CAADLO COCC[NH+]1CC(CCO)(NC(=O)[C@@H]2CC[C@H]2C(N)=O)C1 ZINC001448179693 891758686 /nfs/dbraw/zinc/75/86/86/891758686.db2.gz IQXNMIKGLSXFAQ-GHMZBOCLSA-N 1 2 299.371 -1.303 20 0 CAADLO COC[C@H](C)[NH+]1CC(CCO)(NC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001448204327 891758721 /nfs/dbraw/zinc/75/87/21/891758721.db2.gz WKNZMUFCMBHACG-QWRGUYRKSA-N 1 2 299.371 -1.147 20 0 CAADLO C[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)NC(=O)Cn1ncnn1 ZINC001448232282 891758763 /nfs/dbraw/zinc/75/87/63/891758763.db2.gz HECKFAYTRQAEGS-QMMMGPOBSA-N 1 2 292.303 -1.740 20 0 CAADLO C[C@@H](CC(N)=O)C(=O)N[C@H]1C[N@H+](CC(N)=O)CC1(C)C ZINC001448387927 891760615 /nfs/dbraw/zinc/76/06/15/891760615.db2.gz UUXIIVMHNMAPQV-IUCAKERBSA-N 1 2 284.360 -1.190 20 0 CAADLO C[C@@H](CC(N)=O)C(=O)N[C@H]1C[N@@H+](CC(N)=O)CC1(C)C ZINC001448387927 891760624 /nfs/dbraw/zinc/76/06/24/891760624.db2.gz UUXIIVMHNMAPQV-IUCAKERBSA-N 1 2 284.360 -1.190 20 0 CAADLO C[C@H](CC(N)=O)C(=O)N[C@@H]1C[N@H+](CC(N)=O)CC1(C)C ZINC001448387928 891761228 /nfs/dbraw/zinc/76/12/28/891761228.db2.gz UUXIIVMHNMAPQV-RKDXNWHRSA-N 1 2 284.360 -1.190 20 0 CAADLO C[C@H](CC(N)=O)C(=O)N[C@@H]1C[N@@H+](CC(N)=O)CC1(C)C ZINC001448387928 891761235 /nfs/dbraw/zinc/76/12/35/891761235.db2.gz UUXIIVMHNMAPQV-RKDXNWHRSA-N 1 2 284.360 -1.190 20 0 CAADLO CNC(=O)C[NH+]1CC([C@H](C)NC(=O)C[C@H](C)NC(N)=O)C1 ZINC001448289457 891761503 /nfs/dbraw/zinc/76/15/03/891761503.db2.gz URKLBYJDBYQXCU-IUCAKERBSA-N 1 2 299.375 -1.384 20 0 CAADLO C[C@H](NC(=O)[C@@]1(C)CCNC(=O)C1)C1C[NH+](CC(N)=O)C1 ZINC001448313992 891762051 /nfs/dbraw/zinc/76/20/51/891762051.db2.gz ILHSRBCXZAJNRV-XPTSAGLGSA-N 1 2 296.371 -1.176 20 0 CAADLO C[C@H]([NH2+]CC(N)=O)[C@@H]1CN(C(=O)Cc2ncn[nH]2)CCO1 ZINC001448469834 891763988 /nfs/dbraw/zinc/76/39/88/891763988.db2.gz RPNZVMZNELDMMH-IUCAKERBSA-N 1 2 296.331 -1.962 20 0 CAADLO C[C@H]([NH2+]CC(N)=O)[C@H]1CN(C(=O)Cc2ncn[nH]2)CCO1 ZINC001448469833 891764038 /nfs/dbraw/zinc/76/40/38/891764038.db2.gz RPNZVMZNELDMMH-DTWKUNHWSA-N 1 2 296.331 -1.962 20 0 CAADLO C[C@@H](CN(C)C(=O)Cc1ncn[nH]1)[NH2+][C@H]1CCNC1=O ZINC001448757012 891774068 /nfs/dbraw/zinc/77/40/68/891774068.db2.gz VENDBFGEERLZJO-IUCAKERBSA-N 1 2 280.332 -1.328 20 0 CAADLO C[C@H](CN(C)C(=O)Cc1ncn[nH]1)[NH2+][C@@H]1CCNC1=O ZINC001448757020 891774115 /nfs/dbraw/zinc/77/41/15/891774115.db2.gz VENDBFGEERLZJO-RKDXNWHRSA-N 1 2 280.332 -1.328 20 0 CAADLO C[C@@H]([NH2+][C@H](CO)CNC(=O)C(F)F)c1nnnn1C ZINC001448784288 891776190 /nfs/dbraw/zinc/77/61/90/891776190.db2.gz SKDDANIWFHBVDW-RITPCOANSA-N 1 2 278.263 -1.397 20 0 CAADLO COCC(=O)NC[C@H](CO)[NH2+]Cc1nc(C2CC2)nn1C ZINC001448786106 891776778 /nfs/dbraw/zinc/77/67/78/891776778.db2.gz VUGNJDQSUSJAON-SNVBAGLBSA-N 1 2 297.359 -1.094 20 0 CAADLO CC(=O)NCC(=O)NC[C@@H](CO)[NH2+]Cc1cn(C)nn1 ZINC001448803962 891777705 /nfs/dbraw/zinc/77/77/05/891777705.db2.gz VTSMOKFHVSVNFH-JTQLQIEISA-N 1 2 284.320 -2.482 20 0 CAADLO C[C@H]([NH2+][C@@H](CO)CNC(=O)C(F)F)c1nnnn1C ZINC001448784139 891777719 /nfs/dbraw/zinc/77/77/19/891777719.db2.gz SKDDANIWFHBVDW-NTSWFWBYSA-N 1 2 278.263 -1.397 20 0 CAADLO CCCC(=O)NC[C@@H](CO)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001448791009 891777877 /nfs/dbraw/zinc/77/78/77/891777877.db2.gz CDIQJQGWZTZSLV-QMMMGPOBSA-N 1 2 271.321 -1.525 20 0 CAADLO C[C@@H]([NH2+][C@@H](CO)CNC(=O)C(C)(F)F)c1nnnn1C ZINC001448805708 891777980 /nfs/dbraw/zinc/77/79/80/891777980.db2.gz YRNRIDWSYZRWPZ-RNFRBKRXSA-N 1 2 292.290 -1.007 20 0 CAADLO Cn1[nH]c(C[NH2+][C@H](CO)CNC(=O)c2ccco2)nc1=O ZINC001448804749 891778228 /nfs/dbraw/zinc/77/82/28/891778228.db2.gz WSYBSZSFQSQHGW-QMMMGPOBSA-N 1 2 295.299 -1.418 20 0 CAADLO C[C@@H]([NH2+][C@H](CO)CNC(=O)c1cn[nH]c1)c1nncn1C ZINC001448816781 891779968 /nfs/dbraw/zinc/77/99/68/891779968.db2.gz MCFJJPQISKJYPP-SCZZXKLOSA-N 1 2 293.331 -1.020 20 0 CAADLO Cn1cc(C[NH2+][C@@H](CO)CNC(=O)C[C@@H]2CCCO2)nn1 ZINC001448815422 891780983 /nfs/dbraw/zinc/78/09/83/891780983.db2.gz JYUAIPCINNPNLB-NEPJUHHUSA-N 1 2 297.359 -1.049 20 0 CAADLO Cn1cnnc1C[NH2+][C@@H](CO)CNC(=O)c1cnns1 ZINC001448816839 891781520 /nfs/dbraw/zinc/78/15/20/891781520.db2.gz MVJBQFJINXGYRP-SSDOTTSWSA-N 1 2 297.344 -1.453 20 0 CAADLO Cc1nnc(C[NH2+][C@@H](CO)CNC(=O)c2cn[nH]c2)[nH]1 ZINC001448812530 891781704 /nfs/dbraw/zinc/78/17/04/891781704.db2.gz HDNLUHWOQMCGJB-SECBINFHSA-N 1 2 279.304 -1.283 20 0 CAADLO Cc1nnc(C[NH2+][C@@H](CO)CNC(=O)c2cnns2)[nH]1 ZINC001448815345 891782212 /nfs/dbraw/zinc/78/22/12/891782212.db2.gz JNRBDDKZRBXVPP-SSDOTTSWSA-N 1 2 297.344 -1.155 20 0 CAADLO CC[C@@H](C)C(=O)NC[C@H](CO)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001448814742 891782356 /nfs/dbraw/zinc/78/23/56/891782356.db2.gz JRTUCQGNIODNCA-RKDXNWHRSA-N 1 2 285.348 -1.279 20 0 CAADLO CCC(=O)NCC(=O)NC[C@H](CO)[NH2+]Cc1nnc(C)[nH]1 ZINC001448820692 891784521 /nfs/dbraw/zinc/78/45/21/891784521.db2.gz GSXSQTKWKNHPIQ-SECBINFHSA-N 1 2 298.347 -1.794 20 0 CAADLO CC(=O)N(C)CC(=O)NC[C@@H](CO)[NH2+]Cc1cnn(C)n1 ZINC001448821895 891786047 /nfs/dbraw/zinc/78/60/47/891786047.db2.gz UOYBSTPIOCEHPN-NSHDSACASA-N 1 2 298.347 -2.140 20 0 CAADLO Cc1cc(C[NH2+][C@@H](CO)CNC(=O)[C@@H]2COC(=O)N2)no1 ZINC001448832445 891787804 /nfs/dbraw/zinc/78/78/04/891787804.db2.gz ROWQAFHXHARQLV-ZJUUUORDSA-N 1 2 298.299 -1.342 20 0 CAADLO Cc1nnc(CC(=O)NC[C@@H](CO)[NH2+]Cc2ccon2)[nH]1 ZINC001448832899 891788475 /nfs/dbraw/zinc/78/84/75/891788475.db2.gz NYTTWLZVPLCKBR-JTQLQIEISA-N 1 2 294.315 -1.089 20 0 CAADLO Cc1cc(C[NH2+][C@H](CO)CNC(=O)[C@@H]2COC(=O)N2)no1 ZINC001448832374 891788813 /nfs/dbraw/zinc/78/88/13/891788813.db2.gz ROWQAFHXHARQLV-UWVGGRQHSA-N 1 2 298.299 -1.342 20 0 CAADLO Cc1cc(C[NH2+][C@H](CO)CNC(=O)[C@H]2COC(=O)N2)no1 ZINC001448832377 891789308 /nfs/dbraw/zinc/78/93/08/891789308.db2.gz ROWQAFHXHARQLV-VHSXEESVSA-N 1 2 298.299 -1.342 20 0 CAADLO Cn1cnc(C(=O)NC[C@@H](CO)[NH2+]Cc2cnn(C)n2)c1 ZINC001448839898 891791312 /nfs/dbraw/zinc/79/13/12/891791312.db2.gz QLKALVLQEBXBSG-JTQLQIEISA-N 1 2 293.331 -1.571 20 0 CAADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@@H](O)C(N)=O ZINC001448860257 891795491 /nfs/dbraw/zinc/79/54/91/891795491.db2.gz PYRFAKRYXJMPOR-ZXFLCMHBSA-N 1 2 252.274 -1.514 20 0 CAADLO Cc1ncoc1C(=O)NC[C@H](CO)[NH2+]Cc1cn(C)nn1 ZINC001448848380 891795870 /nfs/dbraw/zinc/79/58/70/891795870.db2.gz NHJPPQMSFZCENC-SNVBAGLBSA-N 1 2 294.315 -1.008 20 0 CAADLO Cc1ncoc1C(=O)NC[C@@H](CO)[NH2+]Cc1cn(C)nn1 ZINC001448848376 891795893 /nfs/dbraw/zinc/79/58/93/891795893.db2.gz NHJPPQMSFZCENC-JTQLQIEISA-N 1 2 294.315 -1.008 20 0 CAADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@H](O)C(N)=O ZINC001448860253 891796201 /nfs/dbraw/zinc/79/62/01/891796201.db2.gz PYRFAKRYXJMPOR-BHNWBGBOSA-N 1 2 252.274 -1.514 20 0 CAADLO COC1CC(C(=O)NC[C@@H](CO)[NH2+]Cc2cnn(C)n2)C1 ZINC001448866501 891799666 /nfs/dbraw/zinc/79/96/66/891799666.db2.gz RRWRXGQIEZFNMF-ZYXZCXLHSA-N 1 2 297.359 -1.193 20 0 CAADLO Cn1ncc(C[NH2+][C@H](CO)CNC(=O)c2cnco2)n1 ZINC001448874668 891799747 /nfs/dbraw/zinc/79/97/47/891799747.db2.gz KZOQVKXEJYZMMH-VIFPVBQESA-N 1 2 280.288 -1.316 20 0 CAADLO Cn1ncnc1C[NH2+][C@@H](CO)CNC(=O)c1cnco1 ZINC001448880536 891799790 /nfs/dbraw/zinc/79/97/90/891799790.db2.gz XTNUUESSIHTRQS-MRVPVSSYSA-N 1 2 280.288 -1.316 20 0 CAADLO Cn1nnnc1C[NH2+][C@@H](CO)CNC(=O)[C@@H]1C[C@H]1C1CC1 ZINC001448914278 891805551 /nfs/dbraw/zinc/80/55/51/891805551.db2.gz BYKSTUMPTXDSNI-OUAUKWLOSA-N 1 2 294.359 -1.177 20 0 CAADLO Cn1nnnc1C[NH2+][C@H](CO)CNC(=O)C1CC2(CC2)C1 ZINC001448897206 891805908 /nfs/dbraw/zinc/80/59/08/891805908.db2.gz BJKQMCUOBCUNES-JTQLQIEISA-N 1 2 294.359 -1.033 20 0 CAADLO Cc1oncc1C[NH2+][C@H](CO)CNC(=O)c1nnc[nH]1 ZINC001448933523 891810231 /nfs/dbraw/zinc/81/02/31/891810231.db2.gz ZSMJYVDFWATFPP-VIFPVBQESA-N 1 2 280.288 -1.018 20 0 CAADLO Cc1oncc1C[NH2+][C@H](CO)CNC(=O)c1ncn[nH]1 ZINC001448933523 891810238 /nfs/dbraw/zinc/81/02/38/891810238.db2.gz ZSMJYVDFWATFPP-VIFPVBQESA-N 1 2 280.288 -1.018 20 0 CAADLO Cc1oncc1C[NH2+][C@H](CO)CNC(=O)c1nc[nH]n1 ZINC001448933523 891810244 /nfs/dbraw/zinc/81/02/44/891810244.db2.gz ZSMJYVDFWATFPP-VIFPVBQESA-N 1 2 280.288 -1.018 20 0 CAADLO Cn1ncc(C(=O)NC[C@@H](CO)[NH2+]Cc2ncnn2C)n1 ZINC001448930821 891810433 /nfs/dbraw/zinc/81/04/33/891810433.db2.gz UMHOKOKYFMGBMX-QMMMGPOBSA-N 1 2 294.319 -2.176 20 0 CAADLO Cn1cnnc1C[NH2+][C@H](CO)CNC(=O)Cc1nc[nH]n1 ZINC001448927885 891812592 /nfs/dbraw/zinc/81/25/92/891812592.db2.gz CLBYFUAEXKZYEL-QMMMGPOBSA-N 1 2 294.319 -2.257 20 0 CAADLO Cn1cnnc1C[NH2+][C@@H](CO)CNC(=O)Cc1nc[nH]n1 ZINC001448927875 891812876 /nfs/dbraw/zinc/81/28/76/891812876.db2.gz CLBYFUAEXKZYEL-MRVPVSSYSA-N 1 2 294.319 -2.257 20 0 CAADLO Cc1oncc1C[NH2+][C@@H](CO)CNC(=O)c1nnc[nH]1 ZINC001448933516 891812903 /nfs/dbraw/zinc/81/29/03/891812903.db2.gz ZSMJYVDFWATFPP-SECBINFHSA-N 1 2 280.288 -1.018 20 0 CAADLO Cc1oncc1C[NH2+][C@@H](CO)CNC(=O)c1ncn[nH]1 ZINC001448933516 891812912 /nfs/dbraw/zinc/81/29/12/891812912.db2.gz ZSMJYVDFWATFPP-SECBINFHSA-N 1 2 280.288 -1.018 20 0 CAADLO Cc1oncc1C[NH2+][C@@H](CO)CNC(=O)c1nc[nH]n1 ZINC001448933516 891812918 /nfs/dbraw/zinc/81/29/18/891812918.db2.gz ZSMJYVDFWATFPP-SECBINFHSA-N 1 2 280.288 -1.018 20 0 CAADLO Cn1ncnc1C[NH2+][C@H](CO)CNC(=O)c1ccncn1 ZINC001448933323 891813131 /nfs/dbraw/zinc/81/31/31/891813131.db2.gz YVQDJLRMMLVXSS-VIFPVBQESA-N 1 2 291.315 -1.514 20 0 CAADLO CCNC(=O)C[NH2+][C@H](CO)CNC(=O)Cc1nnc[nH]1 ZINC001448941717 891813909 /nfs/dbraw/zinc/81/39/09/891813909.db2.gz VJAONUKSLYBJHR-QMMMGPOBSA-N 1 2 284.320 -2.450 20 0 CAADLO O=C(C[NH+]1CCCC1)NC[C@@H](CO)[NH2+]Cc1n[nH]c(=O)[n-]1 ZINC001448957391 891815279 /nfs/dbraw/zinc/81/52/79/891815279.db2.gz RQOGEBGZYQZXON-VIFPVBQESA-N 1 2 298.347 -1.827 20 0 CAADLO Cn1ncc(CN[C@H](CO)CNC(=O)Cn2cc[nH+]c2)n1 ZINC001448948224 891815554 /nfs/dbraw/zinc/81/55/54/891815554.db2.gz ALZYWNVDTWSYPZ-NSHDSACASA-N 1 2 293.331 -1.722 20 0 CAADLO Cc1nnc(C[NH2+]C[C@H](O)CN(C)C(=O)c2cn[nH]n2)o1 ZINC001449136850 891832362 /nfs/dbraw/zinc/83/23/62/891832362.db2.gz RKSDPRRANYIIHU-QMMMGPOBSA-N 1 2 295.303 -1.281 20 0 CAADLO C[C@H]([NH2+]C[C@@H](O)CN(C)C(=O)Cc1ncn[nH]1)C(N)=O ZINC001449165882 891836244 /nfs/dbraw/zinc/83/62/44/891836244.db2.gz OHJKVBDVOPVGCF-JGVFFNPUSA-N 1 2 284.320 -2.370 20 0 CAADLO CN(C[C@@H](O)C[N@H+](C)Cc1nc(=O)n(C)[nH]1)C(=O)C1CC1 ZINC001449175890 891836754 /nfs/dbraw/zinc/83/67/54/891836754.db2.gz JOIMXVZCIVVOPM-JTQLQIEISA-N 1 2 297.359 -1.231 20 0 CAADLO CN(C[C@@H](O)C[N@@H+](C)Cc1nc(=O)n(C)[nH]1)C(=O)C1CC1 ZINC001449175890 891836768 /nfs/dbraw/zinc/83/67/68/891836768.db2.gz JOIMXVZCIVVOPM-JTQLQIEISA-N 1 2 297.359 -1.231 20 0 CAADLO C[C@H]([NH2+]C[C@H](O)CN(C)C(=O)Cc1ncn[nH]1)C(N)=O ZINC001449165889 891837583 /nfs/dbraw/zinc/83/75/83/891837583.db2.gz OHJKVBDVOPVGCF-YUMQZZPRSA-N 1 2 284.320 -2.370 20 0 CAADLO C[C@H](C(N)=O)[N@H+](C)C[C@@H](O)CN(C)C(=O)Cc1ccn[nH]1 ZINC001449192785 891841378 /nfs/dbraw/zinc/84/13/78/891841378.db2.gz VGMJZURZNCEVLY-MWLCHTKSSA-N 1 2 297.359 -1.423 20 0 CAADLO C[C@H](C(N)=O)[N@@H+](C)C[C@@H](O)CN(C)C(=O)Cc1ccn[nH]1 ZINC001449192785 891841388 /nfs/dbraw/zinc/84/13/88/891841388.db2.gz VGMJZURZNCEVLY-MWLCHTKSSA-N 1 2 297.359 -1.423 20 0 CAADLO CC(C)N(CC[N@H+](C)CC(N)=O)C(=O)[C@H]1CCC(=O)N1 ZINC001449249984 891844491 /nfs/dbraw/zinc/84/44/91/891844491.db2.gz ADDHJRKHWWFGKC-SNVBAGLBSA-N 1 2 284.360 -1.081 20 0 CAADLO CC(C)N(CC[N@@H+](C)CC(N)=O)C(=O)[C@H]1CCC(=O)N1 ZINC001449249984 891844499 /nfs/dbraw/zinc/84/44/99/891844499.db2.gz ADDHJRKHWWFGKC-SNVBAGLBSA-N 1 2 284.360 -1.081 20 0 CAADLO CN(CCNC(=O)[C@H]1C[C@H]1C(N)=O)C(=O)Cn1cc[nH+]c1 ZINC001449246303 891846173 /nfs/dbraw/zinc/84/61/73/891846173.db2.gz AEVWTVYUPUBOOO-ZJUUUORDSA-N 1 2 293.327 -1.421 20 0 CAADLO COCC[N@H+](CCNC(=O)c1cn(C)c(=O)[nH]1)CC(N)=O ZINC001449344070 891848157 /nfs/dbraw/zinc/84/81/57/891848157.db2.gz QJAOWHQAKBHVKO-UHFFFAOYSA-N 1 2 299.331 -1.711 20 0 CAADLO COCC[N@@H+](CCNC(=O)c1cn(C)c(=O)[nH]1)CC(N)=O ZINC001449344070 891848175 /nfs/dbraw/zinc/84/81/75/891848175.db2.gz QJAOWHQAKBHVKO-UHFFFAOYSA-N 1 2 299.331 -1.711 20 0 CAADLO CN(CCNC(=O)Cc1nc[nH]n1)C(=O)Cn1cc[nH+]c1 ZINC001449263134 891848225 /nfs/dbraw/zinc/84/82/25/891848225.db2.gz ZVEUWQMOJLDUAS-UHFFFAOYSA-N 1 2 291.315 -1.182 20 0 CAADLO COCC[N@H+](CCNC(=O)c1ccc(=O)[nH]n1)CC(N)=O ZINC001449329219 891848390 /nfs/dbraw/zinc/84/83/90/891848390.db2.gz HFJUPBNIMNBLRL-UHFFFAOYSA-N 1 2 297.315 -1.654 20 0 CAADLO COCC[N@@H+](CCNC(=O)c1ccc(=O)[nH]n1)CC(N)=O ZINC001449329219 891848405 /nfs/dbraw/zinc/84/84/05/891848405.db2.gz HFJUPBNIMNBLRL-UHFFFAOYSA-N 1 2 297.315 -1.654 20 0 CAADLO COCC[N@H+](CCNC(=O)c1ncn(C)n1)[C@H](C)C(N)=O ZINC001449326819 891848459 /nfs/dbraw/zinc/84/84/59/891848459.db2.gz JHSXOSIEVYGQHT-SECBINFHSA-N 1 2 298.347 -1.633 20 0 CAADLO COCC[N@@H+](CCNC(=O)c1ncn(C)n1)[C@H](C)C(N)=O ZINC001449326819 891848474 /nfs/dbraw/zinc/84/84/74/891848474.db2.gz JHSXOSIEVYGQHT-SECBINFHSA-N 1 2 298.347 -1.633 20 0 CAADLO COCC[N@H+](CCNC(=O)c1cnc[nH]c1=O)CC(N)=O ZINC001449328019 891849751 /nfs/dbraw/zinc/84/97/51/891849751.db2.gz MVHFHTRNWVYUON-UHFFFAOYSA-N 1 2 297.315 -1.654 20 0 CAADLO COCC[N@@H+](CCNC(=O)c1cnc[nH]c1=O)CC(N)=O ZINC001449328019 891849774 /nfs/dbraw/zinc/84/97/74/891849774.db2.gz MVHFHTRNWVYUON-UHFFFAOYSA-N 1 2 297.315 -1.654 20 0 CAADLO COCC[N@H+](CCNC(=O)c1ncc[nH]1)[C@H](C)C(N)=O ZINC001449325201 891849859 /nfs/dbraw/zinc/84/98/59/891849859.db2.gz CKZPLXUJIQEYPC-SECBINFHSA-N 1 2 283.332 -1.038 20 0 CAADLO COCC[N@@H+](CCNC(=O)c1ncc[nH]1)[C@H](C)C(N)=O ZINC001449325201 891849867 /nfs/dbraw/zinc/84/98/67/891849867.db2.gz CKZPLXUJIQEYPC-SECBINFHSA-N 1 2 283.332 -1.038 20 0 CAADLO COCC[N@H+](CCNC(=O)[C@]12C[C@H]1COC2)CC(N)=O ZINC001449330017 891850276 /nfs/dbraw/zinc/85/02/76/891850276.db2.gz QTDAQTLVLXIVBF-GWCFXTLKSA-N 1 2 285.344 -1.427 20 0 CAADLO COCC[N@@H+](CCNC(=O)[C@]12C[C@H]1COC2)CC(N)=O ZINC001449330017 891850280 /nfs/dbraw/zinc/85/02/80/891850280.db2.gz QTDAQTLVLXIVBF-GWCFXTLKSA-N 1 2 285.344 -1.427 20 0 CAADLO COCC[N@H+](CCNC(=O)c1ccncn1)CC(N)=O ZINC001449337411 891850696 /nfs/dbraw/zinc/85/06/96/891850696.db2.gz JLAYVPWXLGOKLH-UHFFFAOYSA-N 1 2 281.316 -1.360 20 0 CAADLO COCC[N@@H+](CCNC(=O)c1ccncn1)CC(N)=O ZINC001449337411 891850703 /nfs/dbraw/zinc/85/07/03/891850703.db2.gz JLAYVPWXLGOKLH-UHFFFAOYSA-N 1 2 281.316 -1.360 20 0 CAADLO CNC(=O)C[NH2+]C1CC(N(C)C(=O)Cc2ncn[nH]2)C1 ZINC001449397373 891852770 /nfs/dbraw/zinc/85/27/70/891852770.db2.gz CFKJWBMCLNNCHT-UHFFFAOYSA-N 1 2 280.332 -1.328 20 0 CAADLO CC(=O)NCC(=O)N(C)[C@@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001449984491 891860389 /nfs/dbraw/zinc/86/03/89/891860389.db2.gz REEKRTAXTQVBPD-JTQLQIEISA-N 1 2 295.343 -1.018 20 0 CAADLO COCC(=O)N1CC(CCO)(NC(=O)Cn2cc[nH+]c2)C1 ZINC001450164493 891863762 /nfs/dbraw/zinc/86/37/62/891863762.db2.gz DHEYNIOJAYKVAX-UHFFFAOYSA-N 1 2 296.327 -1.391 20 0 CAADLO CC(=O)N(C)CC(=O)N1CC(NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001450527688 891875098 /nfs/dbraw/zinc/87/50/98/891875098.db2.gz OYRTUDHJONFMAH-UHFFFAOYSA-N 1 2 293.327 -1.243 20 0 CAADLO CCO[C@H](C)C(=O)NC[C@@H](CO)NC(=O)Cn1cc[nH+]c1 ZINC001451332452 891898469 /nfs/dbraw/zinc/89/84/69/891898469.db2.gz DGGWLFLGOPDRND-MNOVXSKESA-N 1 2 298.343 -1.099 20 0 CAADLO CCO[C@@H](C)C(=O)NC[C@H](CO)NC(=O)Cn1cc[nH+]c1 ZINC001451332485 891899135 /nfs/dbraw/zinc/89/91/35/891899135.db2.gz DGGWLFLGOPDRND-WDEREUQCSA-N 1 2 298.343 -1.099 20 0 CAADLO CO[C@@H](C)C(=O)NC[C@H](CO)NC(=O)Cn1cc[nH+]c1 ZINC001451349936 891903876 /nfs/dbraw/zinc/90/38/76/891903876.db2.gz XLEVMKIFZYEGCK-VHSXEESVSA-N 1 2 284.316 -1.489 20 0 CAADLO CSCC(=O)N[C@@H](CO)CNC(=O)Cn1cc[nH+]c1 ZINC001451423122 891905785 /nfs/dbraw/zinc/90/57/85/891905785.db2.gz FRSJMRSVSDWNAK-SECBINFHSA-N 1 2 286.357 -1.161 20 0 CAADLO O=C(Cc1[nH]cc[nH+]1)N[C@H](CO)CNC(=O)c1ncc[nH]1 ZINC001451391183 891906090 /nfs/dbraw/zinc/90/60/90/891906090.db2.gz WPVFLHFCIIFPPP-QMMMGPOBSA-N 1 2 292.299 -1.418 20 0 CAADLO CSCC(=O)N[C@H](CO)CNC(=O)Cn1cc[nH+]c1 ZINC001451423138 891906540 /nfs/dbraw/zinc/90/65/40/891906540.db2.gz FRSJMRSVSDWNAK-VIFPVBQESA-N 1 2 286.357 -1.161 20 0 CAADLO O=C(Cc1[nH]cc[nH+]1)N[C@@H](CO)CNC(=O)c1ncc[nH]1 ZINC001451391182 891906976 /nfs/dbraw/zinc/90/69/76/891906976.db2.gz WPVFLHFCIIFPPP-MRVPVSSYSA-N 1 2 292.299 -1.418 20 0 CAADLO CC(C)(O)CC(=O)NC[C@@H](CO)NC(=O)Cn1cc[nH+]c1 ZINC001451382245 891907594 /nfs/dbraw/zinc/90/75/94/891907594.db2.gz ONMSJSDQULPGNG-JTQLQIEISA-N 1 2 298.343 -1.363 20 0 CAADLO O=C(Cn1cc[nH+]c1)NC[C@H](CO)NC(=O)C(F)F ZINC001451424622 891909683 /nfs/dbraw/zinc/90/96/83/891909683.db2.gz IHNQWSQSMACGDT-SSDOTTSWSA-N 1 2 276.243 -1.259 20 0 CAADLO CO[C@@H](C)C(=O)N[C@H](CO)CNC(=O)Cn1cc[nH+]c1 ZINC001451427867 891910234 /nfs/dbraw/zinc/91/02/34/891910234.db2.gz OWEDSUMJDZAJFC-UWVGGRQHSA-N 1 2 284.316 -1.489 20 0 CAADLO COCCC(=O)N[C@@H](CO)CNC(=O)Cc1[nH]c[nH+]c1C ZINC001451480208 891912143 /nfs/dbraw/zinc/91/21/43/891912143.db2.gz WOKHREZWOJAWKX-SNVBAGLBSA-N 1 2 298.343 -1.110 20 0 CAADLO COCC(=O)N(C)C[C@H](O)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001451784390 891925746 /nfs/dbraw/zinc/92/57/46/891925746.db2.gz RCKIGGZWRWNFAE-SECBINFHSA-N 1 2 284.316 -1.466 20 0 CAADLO Cn1nnc(C(=O)NC2CC([NH+]3CCOCC3)C2)n1 ZINC001452089811 891933852 /nfs/dbraw/zinc/93/38/52/891933852.db2.gz QDRLTXPXLBPGSP-UHFFFAOYSA-N 1 2 266.305 -1.197 20 0 CAADLO COCC(=O)NC[C@@H](O)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001452228081 891939355 /nfs/dbraw/zinc/93/93/55/891939355.db2.gz HSNULANEWUKGSL-VIFPVBQESA-N 1 2 270.289 -1.808 20 0 CAADLO O=C(Cc1[nH]cc[nH+]1)NC[C@@H](O)CNC(=O)c1cn[nH]c1 ZINC001452301271 891947390 /nfs/dbraw/zinc/94/73/90/891947390.db2.gz XJCIZYLZXRYFRS-SECBINFHSA-N 1 2 292.299 -1.418 20 0 CAADLO C[C@@H]1C[N@H+](CCNC(=O)Cn2nnc(N)n2)[C@H](C)CO1 ZINC001453169009 891969753 /nfs/dbraw/zinc/96/97/53/891969753.db2.gz QXEDGNFIGTXVMI-RKDXNWHRSA-N 1 2 283.336 -1.519 20 0 CAADLO C[C@@H]1C[N@@H+](CCNC(=O)Cn2nnc(N)n2)[C@H](C)CO1 ZINC001453169009 891969767 /nfs/dbraw/zinc/96/97/67/891969767.db2.gz QXEDGNFIGTXVMI-RKDXNWHRSA-N 1 2 283.336 -1.519 20 0 CAADLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)Cn1nnc(N)n1 ZINC001453168983 891969819 /nfs/dbraw/zinc/96/98/19/891969819.db2.gz QXEDGNFIGTXVMI-BDAKNGLRSA-N 1 2 283.336 -1.519 20 0 CAADLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)Cn1nnc(N)n1 ZINC001453168983 891969829 /nfs/dbraw/zinc/96/98/29/891969829.db2.gz QXEDGNFIGTXVMI-BDAKNGLRSA-N 1 2 283.336 -1.519 20 0 CAADLO C[C@@H]1C[N@H+](CCNC(=O)Cn2nnc(N)n2)[C@@H](C)CO1 ZINC001453169000 891970794 /nfs/dbraw/zinc/97/07/94/891970794.db2.gz QXEDGNFIGTXVMI-DTWKUNHWSA-N 1 2 283.336 -1.519 20 0 CAADLO C[C@@H]1C[N@@H+](CCNC(=O)Cn2nnc(N)n2)[C@@H](C)CO1 ZINC001453169000 891970803 /nfs/dbraw/zinc/97/08/03/891970803.db2.gz QXEDGNFIGTXVMI-DTWKUNHWSA-N 1 2 283.336 -1.519 20 0 CAADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(N)=O ZINC001453445384 891975472 /nfs/dbraw/zinc/97/54/72/891975472.db2.gz VJKYMFUTGMWQEB-KYXWUPHJSA-N 1 2 278.312 -1.029 20 0 CAADLO C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)CCC(N)=O ZINC001453597370 891979987 /nfs/dbraw/zinc/97/99/87/891979987.db2.gz NYXLCHYPHXLJJM-CQSZACIVSA-N 1 2 299.371 -1.016 20 0 CAADLO C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)CCC(N)=O ZINC001453597370 891979993 /nfs/dbraw/zinc/97/99/93/891979993.db2.gz NYXLCHYPHXLJJM-CQSZACIVSA-N 1 2 299.371 -1.016 20 0 CAADLO COCC(=O)NC[C@]1(O)CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001454069910 891985151 /nfs/dbraw/zinc/98/51/51/891985151.db2.gz WZGULPGOSLVGBB-CYBMUJFWSA-N 1 2 296.327 -1.322 20 0 CAADLO Cn1cnn(CC(=O)N[C@@H](CO)c2c[nH+]cn2C)c1=O ZINC001454166998 891988644 /nfs/dbraw/zinc/98/86/44/891988644.db2.gz MBVIHHOEFZXKJP-QMMMGPOBSA-N 1 2 280.288 -1.835 20 0 CAADLO CCS(=O)(=O)NCC(=O)N[C@@H](CO)c1c[nH+]cn1C ZINC001454171111 891992166 /nfs/dbraw/zinc/99/21/66/891992166.db2.gz SOVKQKSZHQFBFY-QMMMGPOBSA-N 1 2 290.345 -1.491 20 0 CAADLO Cn1c[nH+]cc1[C@H](CO)NC(=O)[C@H]1COCCO1 ZINC001454172361 891992928 /nfs/dbraw/zinc/99/29/28/891992928.db2.gz UWSTUDDZXUSQAW-WCBMZHEXSA-N 1 2 255.274 -1.015 20 0 CAADLO Cn1c[nH+]cc1[C@H](CO)NC(=O)C1CS(=O)(=O)C1 ZINC001454167216 891993627 /nfs/dbraw/zinc/99/36/27/891993627.db2.gz CXOFFTROFOSHID-QMMMGPOBSA-N 1 2 273.314 -1.386 20 0 CAADLO Cn1c[nH+]cc1[C@@H](CO)NC(=O)[C@H]1COCCO1 ZINC001454172355 891994703 /nfs/dbraw/zinc/99/47/03/891994703.db2.gz UWSTUDDZXUSQAW-PSASIEDQSA-N 1 2 255.274 -1.015 20 0 CAADLO Cc1nn(CC(=O)N[C@@H](CO)c2c[nH+]cn2C)c(=O)o1 ZINC001454172569 891995260 /nfs/dbraw/zinc/99/52/60/891995260.db2.gz LYHLCCABYITVLJ-QMMMGPOBSA-N 1 2 281.272 -1.272 20 0 CAADLO O=C(Cc1[nH]cc[nH+]1)N[C@@H]1CS(=O)(=O)C[C@H]1O ZINC001454428681 892004624 /nfs/dbraw/zinc/00/46/24/892004624.db2.gz FBAGPRWKKHWUSS-RNFRBKRXSA-N 1 2 259.287 -1.774 20 0 CAADLO C[C@@H](CNC(=O)Cn1cnnn1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001454548371 892009755 /nfs/dbraw/zinc/00/97/55/892009755.db2.gz SNEPSSXEUPCULG-QMMMGPOBSA-N 1 2 292.303 -1.740 20 0 CAADLO C[C@H](CNC(=O)Cn1cnnn1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001454548370 892009919 /nfs/dbraw/zinc/00/99/19/892009919.db2.gz SNEPSSXEUPCULG-MRVPVSSYSA-N 1 2 292.303 -1.740 20 0 CAADLO O=C(CCCc1nn[nH]n1)NCC[N@H+]1CC[C@@H](O)C1 ZINC001454576647 892010756 /nfs/dbraw/zinc/01/07/56/892010756.db2.gz JDMCZRQJABISNJ-SECBINFHSA-N 1 2 268.321 -1.295 20 0 CAADLO C[C@@H](CNC(=O)Cn1cc[nH+]c1)NC(=O)CNC(N)=O ZINC001454660030 892011922 /nfs/dbraw/zinc/01/19/22/892011922.db2.gz ODBOAXJVZHOBOG-QMMMGPOBSA-N 1 2 282.304 -1.828 20 0 CAADLO O=C(CCc1nc[nH]n1)NC[C@@]1(CO)COCC[NH2+]1 ZINC001454785340 892019312 /nfs/dbraw/zinc/01/93/12/892019312.db2.gz UOXMQQIMGOMOMZ-LLVKDONJSA-N 1 2 269.305 -1.796 20 0 CAADLO O=C(CCn1cnnn1)N[C@H](CO)Cc1c[nH]c[nH+]1 ZINC001455024542 892020568 /nfs/dbraw/zinc/02/05/68/892020568.db2.gz GMOSTOAMBQIUGQ-VIFPVBQESA-N 1 2 265.277 -1.494 20 0 CAADLO O=C(CCn1cnnn1)N[C@H](CO)Cc1c[nH+]c[nH]1 ZINC001455024542 892020582 /nfs/dbraw/zinc/02/05/82/892020582.db2.gz GMOSTOAMBQIUGQ-VIFPVBQESA-N 1 2 265.277 -1.494 20 0 CAADLO C[C@@H](NS(C)(=O)=O)C(=O)N[C@H](CO)Cc1c[nH]c[nH+]1 ZINC001455025584 892020737 /nfs/dbraw/zinc/02/07/37/892020737.db2.gz KAAVBFBLYFWIRE-APPZFPTMSA-N 1 2 290.345 -1.633 20 0 CAADLO C[C@@H](NS(C)(=O)=O)C(=O)N[C@H](CO)Cc1c[nH+]c[nH]1 ZINC001455025584 892020752 /nfs/dbraw/zinc/02/07/52/892020752.db2.gz KAAVBFBLYFWIRE-APPZFPTMSA-N 1 2 290.345 -1.633 20 0 CAADLO CN1C(=O)CN(CC(=O)N[C@H](CO)Cc2c[nH]c[nH+]2)C1=O ZINC001455023676 892021364 /nfs/dbraw/zinc/02/13/64/892021364.db2.gz DVVNTFYCFKFROX-VIFPVBQESA-N 1 2 295.299 -1.677 20 0 CAADLO CN1C(=O)CN(CC(=O)N[C@H](CO)Cc2c[nH+]c[nH]2)C1=O ZINC001455023676 892021382 /nfs/dbraw/zinc/02/13/82/892021382.db2.gz DVVNTFYCFKFROX-VIFPVBQESA-N 1 2 295.299 -1.677 20 0 CAADLO O=C(N[C@H](CO)Cc1c[nH]c[nH+]1)C1CS(=O)(=O)C1 ZINC001455027765 892023597 /nfs/dbraw/zinc/02/35/97/892023597.db2.gz RPVNFEVGTFLUGN-VIFPVBQESA-N 1 2 273.314 -1.526 20 0 CAADLO O=C(N[C@H](CO)Cc1c[nH+]c[nH]1)C1CS(=O)(=O)C1 ZINC001455027765 892023611 /nfs/dbraw/zinc/02/36/11/892023611.db2.gz RPVNFEVGTFLUGN-VIFPVBQESA-N 1 2 273.314 -1.526 20 0 CAADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H](O)C(C)(C)O ZINC001455324932 892036522 /nfs/dbraw/zinc/03/65/22/892036522.db2.gz WFBFRIKZLFKWNB-IUCAKERBSA-N 1 2 284.316 -1.685 20 0 CAADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H](O)C(C)(C)O ZINC001455324932 892036537 /nfs/dbraw/zinc/03/65/37/892036537.db2.gz WFBFRIKZLFKWNB-IUCAKERBSA-N 1 2 284.316 -1.685 20 0 CAADLO CNC(=O)NCCC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC ZINC001455326105 892036743 /nfs/dbraw/zinc/03/67/43/892036743.db2.gz ZRTQFXGFRRKIGK-VIFPVBQESA-N 1 2 296.331 -1.498 20 0 CAADLO CNC(=O)NCCC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC ZINC001455326105 892036759 /nfs/dbraw/zinc/03/67/59/892036759.db2.gz ZRTQFXGFRRKIGK-VIFPVBQESA-N 1 2 296.331 -1.498 20 0 CAADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H](O)C(C)(C)O ZINC001455324923 892038606 /nfs/dbraw/zinc/03/86/06/892038606.db2.gz WFBFRIKZLFKWNB-DTWKUNHWSA-N 1 2 284.316 -1.685 20 0 CAADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H](O)C(C)(C)O ZINC001455324923 892038621 /nfs/dbraw/zinc/03/86/21/892038621.db2.gz WFBFRIKZLFKWNB-DTWKUNHWSA-N 1 2 284.316 -1.685 20 0 CAADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H]1CCCNC1=O ZINC001455320747 892038844 /nfs/dbraw/zinc/03/88/44/892038844.db2.gz DRXBVFLRISNDBH-UWVGGRQHSA-N 1 2 293.327 -1.291 20 0 CAADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H]1CCCNC1=O ZINC001455320747 892038865 /nfs/dbraw/zinc/03/88/65/892038865.db2.gz DRXBVFLRISNDBH-UWVGGRQHSA-N 1 2 293.327 -1.291 20 0 CAADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CN(C)C(C)=O ZINC001455321356 892039065 /nfs/dbraw/zinc/03/90/65/892039065.db2.gz KGGREOLWTVCJCV-JTQLQIEISA-N 1 2 281.316 -1.339 20 0 CAADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CN(C)C(C)=O ZINC001455321356 892039085 /nfs/dbraw/zinc/03/90/85/892039085.db2.gz KGGREOLWTVCJCV-JTQLQIEISA-N 1 2 281.316 -1.339 20 0 CAADLO CN(CCNC(=O)Cc1c[nH]c[nH+]1)C(=O)c1cnn(C)n1 ZINC001455490529 892044690 /nfs/dbraw/zinc/04/46/90/892044690.db2.gz PMYAJTYIMPUDBE-UHFFFAOYSA-N 1 2 291.315 -1.031 20 0 CAADLO CN(CCNC(=O)Cc1[nH]cc[nH+]1)C(=O)c1cn(C)nn1 ZINC001455436618 892046756 /nfs/dbraw/zinc/04/67/56/892046756.db2.gz ZPMFPLJNYPSJDT-UHFFFAOYSA-N 1 2 291.315 -1.031 20 0 CAADLO CNC(=O)CN(CC(=O)NC)C(=O)Cc1[nH]c[nH+]c1C ZINC001455439434 892046813 /nfs/dbraw/zinc/04/68/13/892046813.db2.gz AWPBWXKBNCJTNI-UHFFFAOYSA-N 1 2 281.316 -1.419 20 0 CAADLO O=C(Cc1c[nH]c[nH+]1)NCCc1nnc2n1CCNC2=O ZINC001455774065 892055878 /nfs/dbraw/zinc/05/58/78/892055878.db2.gz KPSVQPCBLLLCGZ-UHFFFAOYSA-N 1 2 289.299 -1.354 20 0 CAADLO C=CC(=O)NCCC(=O)N1CCC[N@@H+](CC(=O)NC)CC1 ZINC001456038498 892060370 /nfs/dbraw/zinc/06/03/70/892060370.db2.gz AYMMABLIGMTSAQ-UHFFFAOYSA-N 1 2 296.371 -1.041 20 0 CAADLO C=CC(=O)NCCC(=O)N1CCC[N@H+](CC(=O)NC)CC1 ZINC001456038498 892060387 /nfs/dbraw/zinc/06/03/87/892060387.db2.gz AYMMABLIGMTSAQ-UHFFFAOYSA-N 1 2 296.371 -1.041 20 0 CAADLO CNC(=O)C[N@@H+]1CCCN(C(=O)/C=C/C(=O)N(C)C)CC1 ZINC001456042410 892061653 /nfs/dbraw/zinc/06/16/53/892061653.db2.gz UNJODPNIRTVIHZ-AATRIKPKSA-N 1 2 296.371 -1.089 20 0 CAADLO CNC(=O)C[N@H+]1CCCN(C(=O)/C=C/C(=O)N(C)C)CC1 ZINC001456042410 892061672 /nfs/dbraw/zinc/06/16/72/892061672.db2.gz UNJODPNIRTVIHZ-AATRIKPKSA-N 1 2 296.371 -1.089 20 0 CAADLO CC(=O)N(C)CC[NH+]1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)CC1 ZINC001456064804 892065529 /nfs/dbraw/zinc/06/55/29/892065529.db2.gz TWQTWSHKPQRLOC-NEPJUHHUSA-N 1 2 296.371 -1.270 20 0 CAADLO C[C@H](CC(N)=O)C(=O)N1CC(NC(=O)Cn2cc[nH+]c2)C1 ZINC001456320936 892073414 /nfs/dbraw/zinc/07/34/14/892073414.db2.gz ZUMPEZXCCOODLJ-SECBINFHSA-N 1 2 293.327 -1.278 20 0 CAADLO O=C(CCCc1nn[nH]n1)N1CC([NH2+]C2COC2)C1 ZINC001456513173 892078311 /nfs/dbraw/zinc/07/83/11/892078311.db2.gz BRMOGAHKVFAKFN-UHFFFAOYSA-N 1 2 266.305 -1.278 20 0 CAADLO CC(=O)NCC(=O)N1CC(NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001456423753 892079146 /nfs/dbraw/zinc/07/91/46/892079146.db2.gz XSTJJTNYVCSNPI-UHFFFAOYSA-N 1 2 279.300 -1.585 20 0 CAADLO O=C(Cn1cc[nH+]c1)NCC1CN(C(=O)c2cn[nH]n2)C1 ZINC001456535274 892083162 /nfs/dbraw/zinc/08/31/62/892083162.db2.gz TWRDOGQSCOGITL-UHFFFAOYSA-N 1 2 289.299 -1.110 20 0 CAADLO O=C(Cn1ncnn1)NC[C@@H]1C[NH+]2CCN1CC2 ZINC001457710958 892098134 /nfs/dbraw/zinc/09/81/34/892098134.db2.gz MFKTULOMGLKGFT-SECBINFHSA-N 1 2 251.294 -2.211 20 0 CAADLO Cn1ncc(CCC(=O)NC[C@H]2C[NH+]3CCN2CC3)n1 ZINC001457717350 892098414 /nfs/dbraw/zinc/09/84/14/892098414.db2.gz NJAYWBXVQAFPEW-LBPRGKRZSA-N 1 2 278.360 -1.136 20 0 CAADLO O=C(Cc1c[nH]c[nH+]1)NC[C@@H](O)CNC(=O)[C@H]1CCCO1 ZINC001457907658 892108066 /nfs/dbraw/zinc/10/80/66/892108066.db2.gz JMFWKVHGDJPOFS-GHMZBOCLSA-N 1 2 296.327 -1.276 20 0 CAADLO O=C(Cc1c[nH]c[nH+]1)NC[C@H](O)CNC(=O)[C@@H]1CCCO1 ZINC001457907748 892108433 /nfs/dbraw/zinc/10/84/33/892108433.db2.gz JMFWKVHGDJPOFS-QWRGUYRKSA-N 1 2 296.327 -1.276 20 0 CAADLO CO[C@@H](C)C(=O)NC[C@@H](O)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001457923704 892108549 /nfs/dbraw/zinc/10/85/49/892108549.db2.gz CRYUADCYPXQPNA-WPRPVWTQSA-N 1 2 284.316 -1.420 20 0 CAADLO O=C(Cc1c[nH]c[nH+]1)NC[C@H](O)CNC(=O)[C@H]1CCCO1 ZINC001457907765 892108660 /nfs/dbraw/zinc/10/86/60/892108660.db2.gz JMFWKVHGDJPOFS-WDEREUQCSA-N 1 2 296.327 -1.276 20 0 CAADLO CCOCC(=O)NC[C@@H](O)CNC(=O)Cc1c[nH+]cn1C ZINC001457900895 892109769 /nfs/dbraw/zinc/10/97/69/892109769.db2.gz DXKIUOYIOWKXNE-NSHDSACASA-N 1 2 298.343 -1.408 20 0 CAADLO COC[C@H](C)C(=O)NC[C@@H](O)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001457946771 892111530 /nfs/dbraw/zinc/11/15/30/892111530.db2.gz UBJDIECQIRIFTB-ONGXEEELSA-N 1 2 298.343 -1.172 20 0 CAADLO CC(C)(O)CC(=O)NC[C@@H](O)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001457975247 892111698 /nfs/dbraw/zinc/11/16/98/892111698.db2.gz XFWMEMARBQMPOY-JTQLQIEISA-N 1 2 298.343 -1.294 20 0 CAADLO CC(C)(O)CC(=O)NC[C@H](O)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001457975251 892111773 /nfs/dbraw/zinc/11/17/73/892111773.db2.gz XFWMEMARBQMPOY-SNVBAGLBSA-N 1 2 298.343 -1.294 20 0 CAADLO Nc1nc(Cl)c(N)c(N2CC3(C2)CC(=O)NCC[NH2+]3)n1 ZINC001458519017 892122696 /nfs/dbraw/zinc/12/26/96/892122696.db2.gz YXJKJOJBKHMDEU-UHFFFAOYSA-N 1 2 297.750 -1.037 20 0 CAADLO CC(=O)NCC(=O)N1CC(N(C)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001459288910 892132761 /nfs/dbraw/zinc/13/27/61/892132761.db2.gz HDGNBRDAKABIER-UHFFFAOYSA-N 1 2 293.327 -1.243 20 0 CAADLO Cn1nnnc1CCN1CC[NH+](CC[S@](C)=O)CC1 ZINC001459673985 892136717 /nfs/dbraw/zinc/13/67/17/892136717.db2.gz VVMRQFZCKPELQW-IBGZPJMESA-N 1 2 286.405 -1.251 20 0 CAADLO O=C1NC(=O)N2CC[N@@H+](C[C@H](O)C[C@]3(O)CCOC3)C[C@@H]12 ZINC001459877044 892139494 /nfs/dbraw/zinc/13/94/94/892139494.db2.gz QFVATIYRXKQZGW-GBIKHYSHSA-N 1 2 299.327 -1.875 20 0 CAADLO O=C1NC(=O)N2CC[N@H+](C[C@H](O)C[C@]3(O)CCOC3)C[C@@H]12 ZINC001459877044 892139507 /nfs/dbraw/zinc/13/95/07/892139507.db2.gz QFVATIYRXKQZGW-GBIKHYSHSA-N 1 2 299.327 -1.875 20 0 CAADLO Cn1[nH]c(C[N@@H+]2CC[C@]3(CNC(=O)C3)C2)nc1=O ZINC001460030592 892141230 /nfs/dbraw/zinc/14/12/30/892141230.db2.gz PRNPPYPTKNGJSP-NSHDSACASA-N 1 2 251.290 -1.180 20 0 CAADLO Cn1[nH]c(C[N@H+]2CC[C@]3(CNC(=O)C3)C2)nc1=O ZINC001460030592 892141238 /nfs/dbraw/zinc/14/12/38/892141238.db2.gz PRNPPYPTKNGJSP-NSHDSACASA-N 1 2 251.290 -1.180 20 0 CAADLO NS(=O)(=O)CCC[NH+]1CCN(Cc2nnc[nH]2)CC1 ZINC001460328817 892143683 /nfs/dbraw/zinc/14/36/83/892143683.db2.gz MQQYLRWWZKLVNF-UHFFFAOYSA-N 1 2 288.377 -1.399 20 0 CAADLO NS(=O)(=O)CCC[NH+]1CCN(Cc2nc[nH]n2)CC1 ZINC001460328817 892143687 /nfs/dbraw/zinc/14/36/87/892143687.db2.gz MQQYLRWWZKLVNF-UHFFFAOYSA-N 1 2 288.377 -1.399 20 0 CAADLO CC1(C(N)=O)C[NH+](CC2(O)CCS(=O)(=O)CC2)C1 ZINC001460300317 892146415 /nfs/dbraw/zinc/14/64/15/892146415.db2.gz QNVNIWKHUWFBHT-UHFFFAOYSA-N 1 2 276.358 -1.267 20 0 CAADLO O=c1[nH]ccn2c(C[N@H+]3C[C@H](CO)[C@H](CO)C3)nnc12 ZINC001460669223 892148381 /nfs/dbraw/zinc/14/83/81/892148381.db2.gz UUQRPKZXIXKVST-DTORHVGOSA-N 1 2 279.300 -1.550 20 0 CAADLO O=c1[nH]ccn2c(C[N@@H+]3C[C@H](CO)[C@H](CO)C3)nnc12 ZINC001460669223 892148384 /nfs/dbraw/zinc/14/83/84/892148384.db2.gz UUQRPKZXIXKVST-DTORHVGOSA-N 1 2 279.300 -1.550 20 0 CAADLO Cn1c[nH+]c(CCNC(=O)Cn2cnc(C(N)=O)n2)c1 ZINC001460736539 892153243 /nfs/dbraw/zinc/15/32/43/892153243.db2.gz SDWHLQWWMWRFOM-UHFFFAOYSA-N 1 2 277.288 -1.531 20 0 CAADLO Cn1[nH]c(C[NH+]2CCC3(CC2)C[C@@H](O)CNC3=O)nc1=O ZINC001460882694 892153598 /nfs/dbraw/zinc/15/35/98/892153598.db2.gz YXALBDNTYGVSDJ-SECBINFHSA-N 1 2 295.343 -1.429 20 0 CAADLO CCS(=O)(=O)CC[NH2+]Cc1cn(CC(N)=O)nn1 ZINC001461148656 892155503 /nfs/dbraw/zinc/15/55/03/892155503.db2.gz LPAQEMCQDMOPRH-UHFFFAOYSA-N 1 2 275.334 -1.712 20 0 CAADLO CN1C(=O)CC[C@@H]([NH2+]Cc2cn(CC(N)=O)nn2)C1=O ZINC001461594742 892157783 /nfs/dbraw/zinc/15/77/83/892157783.db2.gz PGZMMQNUYXEKIM-MRVPVSSYSA-N 1 2 280.288 -2.000 20 0 CAADLO COC1(CO)CC[NH+](Cc2cn(CC(N)=O)nn2)CC1 ZINC001462391481 892161886 /nfs/dbraw/zinc/16/18/86/892161886.db2.gz NJVJVTVTBCKPTG-UHFFFAOYSA-N 1 2 283.332 -1.263 20 0 CAADLO C[C@@]1([NH2+]Cc2cn(CC(N)=O)nn2)CCNC1=O ZINC001461788882 892162047 /nfs/dbraw/zinc/16/20/47/892162047.db2.gz MWAKTDGKVRQNAS-SNVBAGLBSA-N 1 2 252.278 -1.868 20 0 CAADLO NC(=O)[C@H]1CN(S(=O)(=O)CCn2cc[nH+]c2)CCO1 ZINC001462943027 892164293 /nfs/dbraw/zinc/16/42/93/892164293.db2.gz ARJYZNQVPGMDTA-SECBINFHSA-N 1 2 288.329 -1.601 20 0 CAADLO C[C@H]1CN(S(=O)(=O)N2CC[NH+](C)CC2)C[C@@H](CO)O1 ZINC001463525301 892166552 /nfs/dbraw/zinc/16/65/52/892166552.db2.gz DRQZRDNRONGZEL-QWRGUYRKSA-N 1 2 293.389 -1.440 20 0 CAADLO NC(=O)N[C@H]1CCN(S(=O)(=O)CCn2cc[nH+]c2)C1 ZINC001463443705 892168258 /nfs/dbraw/zinc/16/82/58/892168258.db2.gz RKQMAYAMTMZTHD-VIFPVBQESA-N 1 2 287.345 -1.045 20 0 CAADLO C[C@@H](O)CCNS(=O)(=O)N1CC[NH+](C)CC1 ZINC001463327502 892168543 /nfs/dbraw/zinc/16/85/43/892168543.db2.gz ZMXIMSUQMUEMJH-SECBINFHSA-N 1 2 251.352 -1.161 20 0 CAADLO CCN(CCOCCO)S(=O)(=O)N1CC[NH+](C)CC1 ZINC001463583968 892172580 /nfs/dbraw/zinc/17/25/80/892172580.db2.gz ULKBFQOIKCQJRE-UHFFFAOYSA-N 1 2 295.405 -1.191 20 0 CAADLO CNC(=O)[C@H]1CCN(S(=O)(=O)N2CC[NH+](C)CC2)C1 ZINC001463933169 892174412 /nfs/dbraw/zinc/17/44/12/892174412.db2.gz YCVGRELFCZZDSS-JTQLQIEISA-N 1 2 290.389 -1.454 20 0 CAADLO Cn1c[nH+]cc1CCC(=O)NC(C(N)=O)C(N)=O ZINC001463898428 892175190 /nfs/dbraw/zinc/17/51/90/892175190.db2.gz RELCHNPDJXIASY-UHFFFAOYSA-N 1 2 253.262 -2.192 20 0 CAADLO C[C@H](O)CCNS(=O)(=O)N1CC[NH+](C)CC1 ZINC001464146212 892182458 /nfs/dbraw/zinc/18/24/58/892182458.db2.gz ZMXIMSUQMUEMJH-VIFPVBQESA-N 1 2 251.352 -1.161 20 0 CAADLO CCOC(=O)CN(CC(N)=O)C(=O)Cc1c[nH+]c[nH]1 ZINC001464500114 892188992 /nfs/dbraw/zinc/18/89/92/892188992.db2.gz YIHKIHGUGKSYND-UHFFFAOYSA-N 1 2 268.273 -1.171 20 0 CAADLO O=C1NC(=O)C2(CN(S(=O)(=O)CCn3cc[nH+]c3)C2)N1 ZINC001464813721 892195570 /nfs/dbraw/zinc/19/55/70/892195570.db2.gz HXFWCNNZHYXTEM-UHFFFAOYSA-N 1 2 299.312 -1.893 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@H](NC(=O)Cn2nccc2N)C1 ZINC001464920886 892197640 /nfs/dbraw/zinc/19/76/40/892197640.db2.gz BNRJWZNQDOROTD-VIFPVBQESA-N 1 2 280.332 -1.469 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@H](NC(=O)Cn2nccc2N)C1 ZINC001464920886 892197651 /nfs/dbraw/zinc/19/76/51/892197651.db2.gz BNRJWZNQDOROTD-VIFPVBQESA-N 1 2 280.332 -1.469 20 0 CAADLO NC(=O)N[C@@H](CO)C(=O)N1CC(n2cc[nH+]c2)C1 ZINC001465206842 892201329 /nfs/dbraw/zinc/20/13/29/892201329.db2.gz WGJKORFXJGHLBK-QMMMGPOBSA-N 1 2 253.262 -1.704 20 0 CAADLO C[NH+](C)C[C@H](CO)NC(=O)CC1CS(=O)(=O)C1 ZINC001467814619 892254398 /nfs/dbraw/zinc/25/43/98/892254398.db2.gz PEWDCDLUDVVFIR-SECBINFHSA-N 1 2 264.347 -1.540 20 0 CAADLO Cn1cc[nH+]c1CCC(=O)NCC(=O)NCCO ZINC001465853910 892207841 /nfs/dbraw/zinc/20/78/41/892207841.db2.gz HUQGVCJAOPAGPN-UHFFFAOYSA-N 1 2 254.290 -1.423 20 0 CAADLO C[C@H](CNC(=O)/C=C\C[NH+]1CCOCC1)S(N)(=O)=O ZINC001466148299 892218969 /nfs/dbraw/zinc/21/89/69/892218969.db2.gz ISXRLXDUQWMKCB-MXQLGCADSA-N 1 2 291.373 -1.332 20 0 CAADLO C[C@H](CNC(=O)/C=C/C[NH+]1CCOCC1)S(N)(=O)=O ZINC001466148301 892219583 /nfs/dbraw/zinc/21/95/83/892219583.db2.gz ISXRLXDUQWMKCB-VMZHVLLKSA-N 1 2 291.373 -1.332 20 0 CAADLO CN(C)[C@@H](C(=O)N[C@@H]1CN(C)NC1=O)c1c[nH+]cn1C ZINC001466409380 892224805 /nfs/dbraw/zinc/22/48/05/892224805.db2.gz DBXCLJNCDNJVKQ-PSASIEDQSA-N 1 2 280.332 -1.516 20 0 CAADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CN1CCOCC1 ZINC001466635077 892227865 /nfs/dbraw/zinc/22/78/65/892227865.db2.gz FOVBIKZLCDALGD-NSHDSACASA-N 1 2 296.327 -1.058 20 0 CAADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CN1CCOCC1 ZINC001466635077 892227885 /nfs/dbraw/zinc/22/78/85/892227885.db2.gz FOVBIKZLCDALGD-NSHDSACASA-N 1 2 296.327 -1.058 20 0 CAADLO Cn1c[nH+]cc1CCNC(=O)C[C@@H]1NC(=O)NC1=O ZINC001466826548 892237145 /nfs/dbraw/zinc/23/71/45/892237145.db2.gz BDKCRSKCYAFKPW-QMMMGPOBSA-N 1 2 265.273 -1.323 20 0 CAADLO CNC(=O)c1[nH]nnc1NC(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC001467221944 892238992 /nfs/dbraw/zinc/23/89/92/892238992.db2.gz CZRJJDZNWMKBNT-SSDOTTSWSA-N 1 2 297.319 -1.648 20 0 CAADLO CNC(=O)c1[nH]nnc1NC(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC001467221944 892239008 /nfs/dbraw/zinc/23/90/08/892239008.db2.gz CZRJJDZNWMKBNT-SSDOTTSWSA-N 1 2 297.319 -1.648 20 0 CAADLO CNC(=O)c1[nH]nnc1NC(=O)N1CC([NH+](C)C)C1 ZINC001467224122 892240070 /nfs/dbraw/zinc/24/00/70/892240070.db2.gz MZYUUJZSUWIFGW-UHFFFAOYSA-N 1 2 267.293 -1.058 20 0 CAADLO O=C(C[C@@H]1NC(=O)NC1=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC001467288025 892244680 /nfs/dbraw/zinc/24/46/80/892244680.db2.gz CFOCFLWMDHDCMQ-YUMQZZPRSA-N 1 2 277.284 -1.088 20 0 CAADLO CC(C)[N@H+](C)CC(=O)NC[C@]1(O)CCS(=O)(=O)C1 ZINC001468108275 892261101 /nfs/dbraw/zinc/26/11/01/892261101.db2.gz HKEMGMXPFDTOQE-LLVKDONJSA-N 1 2 278.374 -1.008 20 0 CAADLO CC(C)[N@@H+](C)CC(=O)NC[C@]1(O)CCS(=O)(=O)C1 ZINC001468108275 892261119 /nfs/dbraw/zinc/26/11/19/892261119.db2.gz HKEMGMXPFDTOQE-LLVKDONJSA-N 1 2 278.374 -1.008 20 0 CAADLO CS(=O)(=O)C[C@H](O)CNC(=O)NCCn1cc[nH+]c1 ZINC001468288554 892268259 /nfs/dbraw/zinc/26/82/59/892268259.db2.gz RQKCEBGDUCWYKG-SECBINFHSA-N 1 2 290.345 -1.412 20 0 CAADLO CS(=O)(=O)C[C@@H](O)CNC(=O)NCCn1cc[nH+]c1 ZINC001468288555 892268732 /nfs/dbraw/zinc/26/87/32/892268732.db2.gz RQKCEBGDUCWYKG-VIFPVBQESA-N 1 2 290.345 -1.412 20 0 CAADLO C[C@H]1C[N@H+](CCO)CCN1C(=O)CS(=O)(=O)N(C)C ZINC001468956484 892284172 /nfs/dbraw/zinc/28/41/72/892284172.db2.gz VSYLIFAPLDXAAK-JTQLQIEISA-N 1 2 293.389 -1.597 20 0 CAADLO C[C@H]1C[N@@H+](CCO)CCN1C(=O)CS(=O)(=O)N(C)C ZINC001468956484 892284185 /nfs/dbraw/zinc/28/41/85/892284185.db2.gz VSYLIFAPLDXAAK-JTQLQIEISA-N 1 2 293.389 -1.597 20 0 CAADLO C[C@@H]1C[N@H+](CCO)CCN1C(=O)CS(=O)(=O)N(C)C ZINC001468956486 892285543 /nfs/dbraw/zinc/28/55/43/892285543.db2.gz VSYLIFAPLDXAAK-SNVBAGLBSA-N 1 2 293.389 -1.597 20 0 CAADLO C[C@@H]1C[N@@H+](CCO)CCN1C(=O)CS(=O)(=O)N(C)C ZINC001468956486 892285555 /nfs/dbraw/zinc/28/55/55/892285555.db2.gz VSYLIFAPLDXAAK-SNVBAGLBSA-N 1 2 293.389 -1.597 20 0 CAADLO Cn1c(CNC(=O)[C@@]2(C)C[C@H](O)C[N@@H+]2C)n[nH]c1=O ZINC001469511195 892297537 /nfs/dbraw/zinc/29/75/37/892297537.db2.gz DZFUFDDHGWUQAB-WRWORJQWSA-N 1 2 269.305 -1.408 20 0 CAADLO Cn1c(CNC(=O)[C@@]2(C)C[C@H](O)C[N@H+]2C)n[nH]c1=O ZINC001469511195 892297552 /nfs/dbraw/zinc/29/75/52/892297552.db2.gz DZFUFDDHGWUQAB-WRWORJQWSA-N 1 2 269.305 -1.408 20 0 CAADLO NC(=O)C1=NO[C@H](CNC(=O)N[C@H]2Cc3c[nH+]cn3C2)C1 ZINC001470136579 892307325 /nfs/dbraw/zinc/30/73/25/892307325.db2.gz SGJNGCOOMITHOT-CBAPKCEASA-N 1 2 292.299 -1.263 20 0 CAADLO NC(=O)C1=NO[C@H](CNC(=O)N[C@@H]2Cc3c[nH+]cn3C2)C1 ZINC001470136576 892308684 /nfs/dbraw/zinc/30/86/84/892308684.db2.gz SGJNGCOOMITHOT-APPZFPTMSA-N 1 2 292.299 -1.263 20 0 CAADLO NC(=O)[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@@H]1C(N)=O ZINC001470560778 892316963 /nfs/dbraw/zinc/31/69/63/892316963.db2.gz DSXIUHLKFGAPNQ-HXFLIBJXSA-N 1 2 291.311 -1.442 20 0 CAADLO NC(=O)[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@@H]1C(N)=O ZINC001470560778 892316982 /nfs/dbraw/zinc/31/69/82/892316982.db2.gz DSXIUHLKFGAPNQ-HXFLIBJXSA-N 1 2 291.311 -1.442 20 0 CAADLO NC(=O)[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@H]1C(N)=O ZINC001470560777 892319506 /nfs/dbraw/zinc/31/95/06/892319506.db2.gz DSXIUHLKFGAPNQ-FNCVBFRFSA-N 1 2 291.311 -1.442 20 0 CAADLO NC(=O)[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@H]1C(N)=O ZINC001470560777 892319526 /nfs/dbraw/zinc/31/95/26/892319526.db2.gz DSXIUHLKFGAPNQ-FNCVBFRFSA-N 1 2 291.311 -1.442 20 0 CAADLO NC(=O)[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C(N)=O ZINC001470562606 892321654 /nfs/dbraw/zinc/32/16/54/892321654.db2.gz QHPVMOZZFBOTJU-KNVOCYPGSA-N 1 2 265.273 -2.003 20 0 CAADLO NC(=O)[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C(N)=O ZINC001470562607 892322140 /nfs/dbraw/zinc/32/21/40/892322140.db2.gz QHPVMOZZFBOTJU-RNFRBKRXSA-N 1 2 265.273 -2.003 20 0 CAADLO Cn1c[nH+]cc1[C@@H](CO)NC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001470567537 892323807 /nfs/dbraw/zinc/32/38/07/892323807.db2.gz BIIBQYXJWNHYKY-NKWVEPMBSA-N 1 2 281.272 -1.832 20 0 CAADLO C[N@@H+]1CCN(C(=O)c2c[nH]c(C(N)=O)c2)[C@H](CO)C1 ZINC001470601489 892326325 /nfs/dbraw/zinc/32/63/25/892326325.db2.gz KCIVZECBUQKPKJ-VIFPVBQESA-N 1 2 266.301 -1.138 20 0 CAADLO C[N@H+]1CCN(C(=O)c2c[nH]c(C(N)=O)c2)[C@H](CO)C1 ZINC001470601489 892326344 /nfs/dbraw/zinc/32/63/44/892326344.db2.gz KCIVZECBUQKPKJ-VIFPVBQESA-N 1 2 266.301 -1.138 20 0 CAADLO C[N@@H+]1CCN(C(=O)c2c[nH]c(C(N)=O)c2)[C@@H](CO)C1 ZINC001470601487 892326770 /nfs/dbraw/zinc/32/67/70/892326770.db2.gz KCIVZECBUQKPKJ-SECBINFHSA-N 1 2 266.301 -1.138 20 0 CAADLO C[N@H+]1CCN(C(=O)c2c[nH]c(C(N)=O)c2)[C@@H](CO)C1 ZINC001470601487 892326787 /nfs/dbraw/zinc/32/67/87/892326787.db2.gz KCIVZECBUQKPKJ-SECBINFHSA-N 1 2 266.301 -1.138 20 0 CAADLO NS(=O)(=O)NC1CN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001470761754 892329804 /nfs/dbraw/zinc/32/98/04/892329804.db2.gz QYFFEJHBKYQKJC-UHFFFAOYSA-N 1 2 273.318 -1.654 20 0 CAADLO NS(=O)(=O)NC1CN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001470761754 892329820 /nfs/dbraw/zinc/32/98/20/892329820.db2.gz QYFFEJHBKYQKJC-UHFFFAOYSA-N 1 2 273.318 -1.654 20 0 CAADLO Cn1c[nH+]cc1CCC(=O)N1CC(NS(N)(=O)=O)C1 ZINC001470761344 892330621 /nfs/dbraw/zinc/33/06/21/892330621.db2.gz NTWLWXVCFOXQEC-UHFFFAOYSA-N 1 2 287.345 -1.643 20 0 CAADLO C[C@H](C(=O)N[C@@H]1CS(=O)(=O)C[C@H]1O)n1cc[nH+]c1 ZINC001470806217 892334849 /nfs/dbraw/zinc/33/48/49/892334849.db2.gz VGZATJXVJLQPBQ-IWSPIJDZSA-N 1 2 273.314 -1.282 20 0 CAADLO Cn1cnn(CC(=O)N2CC[NH2+][C@@H](c3cn[nH]c3)C2)c1=O ZINC001470885777 892338008 /nfs/dbraw/zinc/33/80/08/892338008.db2.gz CETPOJIZKQIREF-SNVBAGLBSA-N 1 2 291.315 -1.522 20 0 CAADLO O=C(N1CC[NH2+][C@H](c2cn[nH]c2)C1)C1(O)COC1 ZINC001470889817 892338186 /nfs/dbraw/zinc/33/81/86/892338186.db2.gz TZXMNFCXMMVKMK-VIFPVBQESA-N 1 2 252.274 -1.356 20 0 CAADLO C[N@@H+]1CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C[C@H]1CO ZINC001471063475 892340941 /nfs/dbraw/zinc/34/09/41/892340941.db2.gz DAUAWTIYRXWXHM-LPEHRKFASA-N 1 2 271.317 -1.846 20 0 CAADLO C[N@H+]1CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C[C@H]1CO ZINC001471063475 892340958 /nfs/dbraw/zinc/34/09/58/892340958.db2.gz DAUAWTIYRXWXHM-LPEHRKFASA-N 1 2 271.317 -1.846 20 0 CAADLO O=C(NC[C@@]1(CO)COCC[NH2+]1)c1cnncc1O ZINC001471179104 892348054 /nfs/dbraw/zinc/34/80/54/892348054.db2.gz UNJJZZDKUJWILD-LLVKDONJSA-N 1 2 268.273 -1.737 20 0 CAADLO COCCn1cc(C(=O)N[C@H](CO)Cc2c[nH]c[nH+]2)nn1 ZINC001471341648 892352533 /nfs/dbraw/zinc/35/25/33/892352533.db2.gz KLTKGFBXHQRCAF-JTQLQIEISA-N 1 2 294.315 -1.019 20 0 CAADLO COCCn1cc(C(=O)N[C@H](CO)Cc2c[nH+]c[nH]2)nn1 ZINC001471341648 892352552 /nfs/dbraw/zinc/35/25/52/892352552.db2.gz KLTKGFBXHQRCAF-JTQLQIEISA-N 1 2 294.315 -1.019 20 0 CAADLO O=C(CCc1[nH]c(O)nc1O)N[C@H](CO)Cc1c[nH+]c[nH]1 ZINC001471332916 892353632 /nfs/dbraw/zinc/35/36/32/892353632.db2.gz CZVNSXIPZNCSAO-IUCAKERBSA-N 1 2 295.299 -1.583 20 0 CAADLO C[C@H](O)c1cn(CC(=O)N[C@H](CO)Cc2c[nH]c[nH+]2)nn1 ZINC001471332740 892354484 /nfs/dbraw/zinc/35/44/84/892354484.db2.gz ANSVXRDHFZYWPW-WPRPVWTQSA-N 1 2 294.315 -1.226 20 0 CAADLO C[C@H](O)c1cn(CC(=O)N[C@H](CO)Cc2c[nH+]c[nH]2)nn1 ZINC001471332740 892354505 /nfs/dbraw/zinc/35/45/05/892354505.db2.gz ANSVXRDHFZYWPW-WPRPVWTQSA-N 1 2 294.315 -1.226 20 0 CAADLO COC(=O)NCC(=O)N[C@H](CO)Cc1c[nH]c[nH+]1 ZINC001471333334 892354855 /nfs/dbraw/zinc/35/48/55/892354855.db2.gz HGDCFEKVYOCHME-QMMMGPOBSA-N 1 2 256.262 -1.215 20 0 CAADLO COC(=O)NCC(=O)N[C@H](CO)Cc1c[nH+]c[nH]1 ZINC001471333334 892354874 /nfs/dbraw/zinc/35/48/74/892354874.db2.gz HGDCFEKVYOCHME-QMMMGPOBSA-N 1 2 256.262 -1.215 20 0 CAADLO C[C@@H](O)c1cn(CC(=O)N[C@H](CO)Cc2c[nH]c[nH+]2)nn1 ZINC001471332738 892355436 /nfs/dbraw/zinc/35/54/36/892355436.db2.gz ANSVXRDHFZYWPW-SCZZXKLOSA-N 1 2 294.315 -1.226 20 0 CAADLO C[C@@H](O)c1cn(CC(=O)N[C@H](CO)Cc2c[nH+]c[nH]2)nn1 ZINC001471332738 892355456 /nfs/dbraw/zinc/35/54/56/892355456.db2.gz ANSVXRDHFZYWPW-SCZZXKLOSA-N 1 2 294.315 -1.226 20 0 CAADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C1(O)CCOCC1 ZINC001471647177 892362762 /nfs/dbraw/zinc/36/27/62/892362762.db2.gz KFPZQENHGWXPGG-JTQLQIEISA-N 1 2 296.327 -1.276 20 0 CAADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C1(O)CCOCC1 ZINC001471647177 892362782 /nfs/dbraw/zinc/36/27/82/892362782.db2.gz KFPZQENHGWXPGG-JTQLQIEISA-N 1 2 296.327 -1.276 20 0 CAADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H]1CCNC(=O)C1 ZINC001471647222 892364331 /nfs/dbraw/zinc/36/43/31/892364331.db2.gz MGRGVSWJBIEBDV-SCZZXKLOSA-N 1 2 293.327 -1.291 20 0 CAADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H]1CCNC(=O)C1 ZINC001471647222 892364349 /nfs/dbraw/zinc/36/43/49/892364349.db2.gz MGRGVSWJBIEBDV-SCZZXKLOSA-N 1 2 293.327 -1.291 20 0 CAADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1c[nH]c(=O)n1C ZINC001471647211 892365739 /nfs/dbraw/zinc/36/57/39/892365739.db2.gz LICWAHLMDFZWLI-QMMMGPOBSA-N 1 2 292.299 -1.064 20 0 CAADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1c[nH]c(=O)n1C ZINC001471647211 892365754 /nfs/dbraw/zinc/36/57/54/892365754.db2.gz LICWAHLMDFZWLI-QMMMGPOBSA-N 1 2 292.299 -1.064 20 0 CAADLO CNC(=O)CN(CC(=O)NC)C(=O)Cc1[nH]cc[nH+]1 ZINC001471703296 892368902 /nfs/dbraw/zinc/36/89/02/892368902.db2.gz HCIDDASUPGSRAD-UHFFFAOYSA-N 1 2 267.289 -1.727 20 0 CAADLO COC[C@H](NC(=O)[C@H](C)C[NH+]1CCOCC1)c1nn[nH]n1 ZINC001471846872 892370395 /nfs/dbraw/zinc/37/03/95/892370395.db2.gz YSXHUEGPUYPLFI-ZJUUUORDSA-N 1 2 298.347 -1.028 20 0 CAADLO COC[C@@H](NC(=O)[C@H](C)C[NH+]1CCOCC1)c1nn[nH]n1 ZINC001471846866 892372265 /nfs/dbraw/zinc/37/22/65/892372265.db2.gz YSXHUEGPUYPLFI-NXEZZACHSA-N 1 2 298.347 -1.028 20 0 CAADLO CN(Cc1nnc2n1CCNC2=O)C(=O)Cn1cc[nH+]c1 ZINC001471859997 892375142 /nfs/dbraw/zinc/37/51/42/892375142.db2.gz VTYVUOPJFWWKDX-UHFFFAOYSA-N 1 2 289.299 -1.123 20 0 CAADLO CNC(=O)C[N@@H+]1CCCN(C(=O)CN2CCOC2=O)CC1 ZINC001471978606 892379386 /nfs/dbraw/zinc/37/93/86/892379386.db2.gz VSVZQCKOJWVJCL-UHFFFAOYSA-N 1 2 298.343 -1.281 20 0 CAADLO CNC(=O)C[N@H+]1CCCN(C(=O)CN2CCOC2=O)CC1 ZINC001471978606 892379404 /nfs/dbraw/zinc/37/94/04/892379404.db2.gz VSVZQCKOJWVJCL-UHFFFAOYSA-N 1 2 298.343 -1.281 20 0 CAADLO COC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)C[C@H]1CC(=O)N1 ZINC001472085880 892382903 /nfs/dbraw/zinc/38/29/03/892382903.db2.gz BQRYLAVLFHAMIZ-VXNVDRBHSA-N 1 2 280.284 -1.111 20 0 CAADLO COC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)C[C@H]1CC(=O)N1 ZINC001472085880 892382922 /nfs/dbraw/zinc/38/29/22/892382922.db2.gz BQRYLAVLFHAMIZ-VXNVDRBHSA-N 1 2 280.284 -1.111 20 0 CAADLO COC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H]1COC(=O)N1 ZINC001472086336 892383874 /nfs/dbraw/zinc/38/38/74/892383874.db2.gz UXWHBWXCPSODIN-SFYZADRCSA-N 1 2 282.256 -1.282 20 0 CAADLO COC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H]1COC(=O)N1 ZINC001472086336 892383888 /nfs/dbraw/zinc/38/38/88/892383888.db2.gz UXWHBWXCPSODIN-SFYZADRCSA-N 1 2 282.256 -1.282 20 0 CAADLO CNC(=O)[C@@H](O)CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001472544543 892400428 /nfs/dbraw/zinc/40/04/28/892400428.db2.gz AJYDUBDLVUGBFS-SCZZXKLOSA-N 1 2 266.301 -1.331 20 0 CAADLO CNC(=O)[C@H](O)CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001472544542 892400515 /nfs/dbraw/zinc/40/05/15/892400515.db2.gz AJYDUBDLVUGBFS-PSASIEDQSA-N 1 2 266.301 -1.331 20 0 CAADLO C[NH+]1CCN(CC(=O)NCCc2nnc[nH]2)CC1 ZINC001472510333 892401106 /nfs/dbraw/zinc/40/11/06/892401106.db2.gz RZBKLAFREQQJBX-UHFFFAOYSA-N 1 2 252.322 -1.289 20 0 CAADLO C[NH+]1CCN(CC(=O)NCCc2nc[nH]n2)CC1 ZINC001472510333 892401109 /nfs/dbraw/zinc/40/11/09/892401109.db2.gz RZBKLAFREQQJBX-UHFFFAOYSA-N 1 2 252.322 -1.289 20 0 CAADLO Cn1c[nH+]cc1CC(=O)NCCCS(N)(=O)=O ZINC001472494396 892401313 /nfs/dbraw/zinc/40/13/13/892401313.db2.gz ISRLRWNMKHHSEQ-UHFFFAOYSA-N 1 2 260.319 -1.243 20 0 CAADLO O=C(Cn1cnnn1)N1CC[NH+](CCn2cncn2)CC1 ZINC001472933289 892406868 /nfs/dbraw/zinc/40/68/68/892406868.db2.gz DGPPSFFQGJICAI-UHFFFAOYSA-N 1 2 291.319 -1.891 20 0 CAADLO NC(=O)CC(=O)N1CC[NH+](CCN2C(=O)CCC2=O)CC1 ZINC001472944341 892408056 /nfs/dbraw/zinc/40/80/56/892408056.db2.gz LCDPRYRYPZSWKY-UHFFFAOYSA-N 1 2 296.327 -1.845 20 0 CAADLO NS(=O)(=O)[C@H]1CC[N@@H+](CCNC(=O)C2CC2)C1 ZINC001473284705 892415647 /nfs/dbraw/zinc/41/56/47/892415647.db2.gz OXYNAISISXXTTH-VIFPVBQESA-N 1 2 261.347 -1.125 20 0 CAADLO NC(=O)CN1CC[NH+](CCN2CCCC2=O)CC1 ZINC001473253653 892414954 /nfs/dbraw/zinc/41/49/54/892414954.db2.gz SRYNTMHWJMCDKI-UHFFFAOYSA-N 1 2 254.334 -1.288 20 0 CAADLO NS(=O)(=O)[C@H]1CC[N@H+](CCNC(=O)C2CC2)C1 ZINC001473284705 892415630 /nfs/dbraw/zinc/41/56/30/892415630.db2.gz OXYNAISISXXTTH-VIFPVBQESA-N 1 2 261.347 -1.125 20 0 CAADLO CNC(=O)CC[NH+]1CCN(S(=O)(=O)NC(C)C)CC1 ZINC001473468889 892415808 /nfs/dbraw/zinc/41/58/08/892415808.db2.gz OHXKRUNLESTRTL-UHFFFAOYSA-N 1 2 292.405 -1.017 20 0 CAADLO C[C@H](O)[C@@H](O)CN1CC[NH+](CC[S@](C)=O)CC1 ZINC001473226405 892416458 /nfs/dbraw/zinc/41/64/58/892416458.db2.gz TXDZWAABYFZAJF-DINDLPBHSA-N 1 2 264.391 -1.276 20 0 CAADLO C[C@H](NC(=O)C[N@@H+]1CC[C@@H](O)[C@H](CO)C1)C(=O)N(C)C ZINC001473555727 892419894 /nfs/dbraw/zinc/41/98/94/892419894.db2.gz GVPMCCHOKOTGEI-GARJFASQSA-N 1 2 287.360 -1.746 20 0 CAADLO C[C@H](NC(=O)C[N@H+]1CC[C@@H](O)[C@H](CO)C1)C(=O)N(C)C ZINC001473555727 892419900 /nfs/dbraw/zinc/41/99/00/892419900.db2.gz GVPMCCHOKOTGEI-GARJFASQSA-N 1 2 287.360 -1.746 20 0 CAADLO C[C@H](NC(=O)C[N@H+]1C[C@H](CO)[C@H](O)C1)C(=O)N(C)C ZINC001473538066 892420266 /nfs/dbraw/zinc/42/02/66/892420266.db2.gz DHZAKHVAATVBBQ-IVZWLZJFSA-N 1 2 273.333 -2.136 20 0 CAADLO C[C@H](NC(=O)C[N@@H+]1C[C@H](CO)[C@H](O)C1)C(=O)N(C)C ZINC001473538066 892420270 /nfs/dbraw/zinc/42/02/70/892420270.db2.gz DHZAKHVAATVBBQ-IVZWLZJFSA-N 1 2 273.333 -2.136 20 0 CAADLO NC(=O)[C@@H]1C[NH+](CC(=O)Nc2nccs2)C[C@H]1C(N)=O ZINC001473642074 892421437 /nfs/dbraw/zinc/42/14/37/892421437.db2.gz DBXOCYODWLRDOO-RNFRBKRXSA-N 1 2 297.340 -1.400 20 0 CAADLO COC(=O)CNC(=O)[C@@H](C)[N@@H+]1CC[C@H](NC(C)=O)C1 ZINC001473567334 892423300 /nfs/dbraw/zinc/42/33/00/892423300.db2.gz LQIAXQOPBQDTMA-SCZZXKLOSA-N 1 2 271.317 -1.126 20 0 CAADLO COC(=O)CNC(=O)[C@@H](C)[N@H+]1CC[C@H](NC(C)=O)C1 ZINC001473567334 892423304 /nfs/dbraw/zinc/42/33/04/892423304.db2.gz LQIAXQOPBQDTMA-SCZZXKLOSA-N 1 2 271.317 -1.126 20 0 CAADLO COC(=O)CNC(=O)[C@H](C)[N@@H+]1CC[C@H](NC(C)=O)C1 ZINC001473567336 892423344 /nfs/dbraw/zinc/42/33/44/892423344.db2.gz LQIAXQOPBQDTMA-WPRPVWTQSA-N 1 2 271.317 -1.126 20 0 CAADLO COC(=O)CNC(=O)[C@H](C)[N@H+]1CC[C@H](NC(C)=O)C1 ZINC001473567336 892423347 /nfs/dbraw/zinc/42/33/47/892423347.db2.gz LQIAXQOPBQDTMA-WPRPVWTQSA-N 1 2 271.317 -1.126 20 0 CAADLO NS(=O)(=O)CCC[N@@H+]1CCO[C@H](Cn2ccnn2)C1 ZINC001473660612 892423678 /nfs/dbraw/zinc/42/36/78/892423678.db2.gz QOWJLHNZVCFFMG-JTQLQIEISA-N 1 2 289.361 -1.343 20 0 CAADLO NS(=O)(=O)CCC[N@H+]1CCO[C@H](Cn2ccnn2)C1 ZINC001473660612 892423684 /nfs/dbraw/zinc/42/36/84/892423684.db2.gz QOWJLHNZVCFFMG-JTQLQIEISA-N 1 2 289.361 -1.343 20 0 CAADLO COC(=O)CNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](NC(C)=O)C1 ZINC001473567333 892423758 /nfs/dbraw/zinc/42/37/58/892423758.db2.gz LQIAXQOPBQDTMA-PSASIEDQSA-N 1 2 271.317 -1.126 20 0 CAADLO COC(=O)CNC(=O)[C@@H](C)[N@H+]1CC[C@@H](NC(C)=O)C1 ZINC001473567333 892423766 /nfs/dbraw/zinc/42/37/66/892423766.db2.gz LQIAXQOPBQDTMA-PSASIEDQSA-N 1 2 271.317 -1.126 20 0 CAADLO NC(=O)[C@@H]1C[NH+](Cc2cnsn2)C[C@H]1C(N)=O ZINC001473642181 892424148 /nfs/dbraw/zinc/42/41/48/892424148.db2.gz FVLFJGAHOPBTCI-RNFRBKRXSA-N 1 2 255.303 -1.443 20 0 CAADLO NC(=O)[C@H]1C[NH+](Cc2cnsn2)C[C@@H]1C(N)=O ZINC001473642179 892424201 /nfs/dbraw/zinc/42/42/01/892424201.db2.gz FVLFJGAHOPBTCI-BQBZGAKWSA-N 1 2 255.303 -1.443 20 0 CAADLO C[C@@H]1COCC[N@@H+]1CCN1CC(=O)NCC12COC2 ZINC001473772401 892427493 /nfs/dbraw/zinc/42/74/93/892427493.db2.gz ZXHYSYYCMUZBDN-LLVKDONJSA-N 1 2 269.345 -1.092 20 0 CAADLO C[C@@H]1COCC[N@H+]1CCN1CC(=O)NCC12COC2 ZINC001473772401 892427499 /nfs/dbraw/zinc/42/74/99/892427499.db2.gz ZXHYSYYCMUZBDN-LLVKDONJSA-N 1 2 269.345 -1.092 20 0 CAADLO O=C(NCC[N@@H+]1CCN2[C@H](CNS2(=O)=O)C1)C1CC1 ZINC001473820700 892427701 /nfs/dbraw/zinc/42/77/01/892427701.db2.gz DSLFXDVLCCKXNV-SNVBAGLBSA-N 1 2 288.373 -1.653 20 0 CAADLO O=C(NCC[N@H+]1CCN2[C@H](CNS2(=O)=O)C1)C1CC1 ZINC001473820700 892427704 /nfs/dbraw/zinc/42/77/04/892427704.db2.gz DSLFXDVLCCKXNV-SNVBAGLBSA-N 1 2 288.373 -1.653 20 0 CAADLO O=C(NCC[N@@H+]1CCN2[C@@H](CNS2(=O)=O)C1)C1CC1 ZINC001473820694 892427750 /nfs/dbraw/zinc/42/77/50/892427750.db2.gz DSLFXDVLCCKXNV-JTQLQIEISA-N 1 2 288.373 -1.653 20 0 CAADLO O=C(NCC[N@H+]1CCN2[C@@H](CNS2(=O)=O)C1)C1CC1 ZINC001473820694 892427756 /nfs/dbraw/zinc/42/77/56/892427756.db2.gz DSLFXDVLCCKXNV-JTQLQIEISA-N 1 2 288.373 -1.653 20 0 CAADLO NC(=O)Cn1cc(CNCC[NH+]2CCSCC2)nn1 ZINC001473994203 892430004 /nfs/dbraw/zinc/43/00/04/892430004.db2.gz LPTPTFXHMOFKAS-UHFFFAOYSA-N 1 2 284.389 -1.098 20 0 CAADLO CN1C[C@@H]([NH2+]Cc2cn(CC(N)=O)nn2)CC1=O ZINC001473981793 892430199 /nfs/dbraw/zinc/43/01/99/892430199.db2.gz NNUADEKMMOUSKK-ZETCQYMHSA-N 1 2 252.278 -1.916 20 0 CAADLO COC(=O)C[C@]1([NH2+]Cc2cn(CC(N)=O)nn2)CCOC1 ZINC001474106834 892431773 /nfs/dbraw/zinc/43/17/73/892431773.db2.gz QWWVGDZBUMKEBD-GFCCVEGCSA-N 1 2 297.315 -1.425 20 0 CAADLO COC(=O)C[C@@]1([NH2+]Cc2cn(CC(N)=O)nn2)CCOC1 ZINC001474106837 892432224 /nfs/dbraw/zinc/43/22/24/892432224.db2.gz QWWVGDZBUMKEBD-LBPRGKRZSA-N 1 2 297.315 -1.425 20 0 CAADLO C[C@@H]1CC[N@H+](Cc2cn(CC(N)=O)nn2)C[C@H]1O ZINC001474500772 892434653 /nfs/dbraw/zinc/43/46/53/892434653.db2.gz HTBKJOSIOLNRNQ-PSASIEDQSA-N 1 2 253.306 -1.034 20 0 CAADLO C[C@@H]1CC[N@@H+](Cc2cn(CC(N)=O)nn2)C[C@H]1O ZINC001474500772 892434659 /nfs/dbraw/zinc/43/46/59/892434659.db2.gz HTBKJOSIOLNRNQ-PSASIEDQSA-N 1 2 253.306 -1.034 20 0 CAADLO C[C@@H]1CC[N@H+](Cc2cn(CC(N)=O)nn2)C[C@@H]1O ZINC001474500773 892434800 /nfs/dbraw/zinc/43/48/00/892434800.db2.gz HTBKJOSIOLNRNQ-SCZZXKLOSA-N 1 2 253.306 -1.034 20 0 CAADLO C[C@@H]1CC[N@@H+](Cc2cn(CC(N)=O)nn2)C[C@@H]1O ZINC001474500773 892434804 /nfs/dbraw/zinc/43/48/04/892434804.db2.gz HTBKJOSIOLNRNQ-SCZZXKLOSA-N 1 2 253.306 -1.034 20 0 CAADLO COCCNC(=O)CNS(=O)(=O)CCn1cc[nH+]c1 ZINC001474770251 892434872 /nfs/dbraw/zinc/43/48/72/892434872.db2.gz ASRSMIKXUXXKFG-UHFFFAOYSA-N 1 2 290.345 -1.435 20 0 CAADLO C[C@H]1CC[N@H+](Cc2cn(CC(N)=O)nn2)C[C@@H]1O ZINC001474500775 892435315 /nfs/dbraw/zinc/43/53/15/892435315.db2.gz HTBKJOSIOLNRNQ-WPRPVWTQSA-N 1 2 253.306 -1.034 20 0 CAADLO C[C@H]1CC[N@@H+](Cc2cn(CC(N)=O)nn2)C[C@@H]1O ZINC001474500775 892435329 /nfs/dbraw/zinc/43/53/29/892435329.db2.gz HTBKJOSIOLNRNQ-WPRPVWTQSA-N 1 2 253.306 -1.034 20 0 CAADLO C[C@H]1C[N@H+](Cc2cn(CC(N)=O)nn2)CC[C@H]1O ZINC001474464797 892435683 /nfs/dbraw/zinc/43/56/83/892435683.db2.gz VEJIJIUUDBNXML-WCBMZHEXSA-N 1 2 253.306 -1.034 20 0 CAADLO C[C@H]1C[N@@H+](Cc2cn(CC(N)=O)nn2)CC[C@H]1O ZINC001474464797 892435694 /nfs/dbraw/zinc/43/56/94/892435694.db2.gz VEJIJIUUDBNXML-WCBMZHEXSA-N 1 2 253.306 -1.034 20 0 CAADLO C[C@H]1C[N@H+](Cc2cn(CC(N)=O)nn2)CC[C@@H]1O ZINC001474464798 892436220 /nfs/dbraw/zinc/43/62/20/892436220.db2.gz VEJIJIUUDBNXML-WPRPVWTQSA-N 1 2 253.306 -1.034 20 0 CAADLO C[C@H]1C[N@@H+](Cc2cn(CC(N)=O)nn2)CC[C@@H]1O ZINC001474464798 892436229 /nfs/dbraw/zinc/43/62/29/892436229.db2.gz VEJIJIUUDBNXML-WPRPVWTQSA-N 1 2 253.306 -1.034 20 0 CAADLO C[C@@H]1CN(S(=O)(=O)N2CC[NH+](C)CC2)C[C@H]1O ZINC001475112446 892437670 /nfs/dbraw/zinc/43/76/70/892437670.db2.gz WTFFQXCMGQPUBU-NXEZZACHSA-N 1 2 263.363 -1.209 20 0 CAADLO C[C@H](NS(=O)(=O)N1CC[NH+](C)CC1)C(N)=O ZINC001475184001 892438659 /nfs/dbraw/zinc/43/86/59/892438659.db2.gz IFQULEKFMNCVRP-ZETCQYMHSA-N 1 2 250.324 -2.058 20 0 CAADLO C[C@@H](O)[C@H]1CN(S(=O)(=O)N2CC[NH+](C)CC2)CCO1 ZINC001475382507 892441485 /nfs/dbraw/zinc/44/14/85/892441485.db2.gz DIWWHUHWFDSQAU-GHMZBOCLSA-N 1 2 293.389 -1.440 20 0 CAADLO C[C@@H](O)[C@@H]1CN(S(=O)(=O)N2CC[NH+](C)CC2)CCO1 ZINC001475382508 892442960 /nfs/dbraw/zinc/44/29/60/892442960.db2.gz DIWWHUHWFDSQAU-MNOVXSKESA-N 1 2 293.389 -1.440 20 0 CAADLO Cn1cnnc1S(=O)(=O)NCC[NH+]1CCC(O)CC1 ZINC001475304437 892443208 /nfs/dbraw/zinc/44/32/08/892443208.db2.gz JCTWCGBRRUYSMO-UHFFFAOYSA-N 1 2 289.361 -1.450 20 0 CAADLO COC(=O)C[C@H](O)CNS(=O)(=O)N1CC[NH+](C)CC1 ZINC001475556345 892445040 /nfs/dbraw/zinc/44/50/40/892445040.db2.gz SUQFCEQUFHOEAD-VIFPVBQESA-N 1 2 295.361 -2.008 20 0 CAADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)N[C@@H]1COC[C@H]1O ZINC001477302994 892455454 /nfs/dbraw/zinc/45/54/54/892455454.db2.gz ZUNPLFYPVVOTLV-HBNTYKKESA-N 1 2 273.333 -1.234 20 0 CAADLO C[C@@H]1C[N@H+](CCNC(=O)N2C[C@H](O)[C@H](CO)C2)CCO1 ZINC001477728959 892455468 /nfs/dbraw/zinc/45/54/68/892455468.db2.gz NUUVKSUEAIZZGL-WOPDTQHZSA-N 1 2 287.360 -1.298 20 0 CAADLO C[C@@H]1C[N@@H+](CCNC(=O)N2C[C@H](O)[C@H](CO)C2)CCO1 ZINC001477728959 892455475 /nfs/dbraw/zinc/45/54/75/892455475.db2.gz NUUVKSUEAIZZGL-WOPDTQHZSA-N 1 2 287.360 -1.298 20 0 CAADLO C[C@@H]1C[N@H+](CCNC(=O)N2C[C@H](CO)[C@H](O)C2)CCO1 ZINC001477728957 892455524 /nfs/dbraw/zinc/45/55/24/892455524.db2.gz NUUVKSUEAIZZGL-IJLUTSLNSA-N 1 2 287.360 -1.298 20 0 CAADLO C[C@@H]1C[N@@H+](CCNC(=O)N2C[C@H](CO)[C@H](O)C2)CCO1 ZINC001477728957 892455530 /nfs/dbraw/zinc/45/55/30/892455530.db2.gz NUUVKSUEAIZZGL-IJLUTSLNSA-N 1 2 287.360 -1.298 20 0 CAADLO CCNC(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001479248063 892471616 /nfs/dbraw/zinc/47/16/16/892471616.db2.gz ZNNJKKCERDXQAR-AXFHLTTASA-N 1 2 296.371 -1.223 20 0 CAADLO CCNC(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001479248063 892471623 /nfs/dbraw/zinc/47/16/23/892471623.db2.gz ZNNJKKCERDXQAR-AXFHLTTASA-N 1 2 296.371 -1.223 20 0 CAADLO CCNC(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)Cn1cncn1 ZINC001479265676 892473272 /nfs/dbraw/zinc/47/32/72/892473272.db2.gz OATSMPRLFDGITI-NSHDSACASA-N 1 2 294.359 -1.053 20 0 CAADLO CCNC(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)Cn1cncn1 ZINC001479265676 892473277 /nfs/dbraw/zinc/47/32/77/892473277.db2.gz OATSMPRLFDGITI-NSHDSACASA-N 1 2 294.359 -1.053 20 0 CAADLO C[C@@H]1[C@@H](NC(=O)CC(N)=O)CC[N@@H+]1Cc1nc(=O)n(C)[nH]1 ZINC001479702451 892479299 /nfs/dbraw/zinc/47/92/99/892479299.db2.gz PRFSGJMPIUOYRC-SFYZADRCSA-N 1 2 296.331 -1.937 20 0 CAADLO C[C@@H]1[C@@H](NC(=O)CC(N)=O)CC[N@H+]1Cc1nc(=O)n(C)[nH]1 ZINC001479702451 892479305 /nfs/dbraw/zinc/47/93/05/892479305.db2.gz PRFSGJMPIUOYRC-SFYZADRCSA-N 1 2 296.331 -1.937 20 0 CAADLO Cc1noc(C[N@H+](C)CCCNC(=O)C(N)=O)n1 ZINC001479793095 892482174 /nfs/dbraw/zinc/48/21/74/892482174.db2.gz DZFGFVTUGFDCSB-UHFFFAOYSA-N 1 2 255.278 -1.199 20 0 CAADLO Cc1noc(C[N@@H+](C)CCCNC(=O)C(N)=O)n1 ZINC001479793095 892482187 /nfs/dbraw/zinc/48/21/87/892482187.db2.gz DZFGFVTUGFDCSB-UHFFFAOYSA-N 1 2 255.278 -1.199 20 0 CAADLO CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)CNC(C)=O)C1 ZINC001479896796 892484493 /nfs/dbraw/zinc/48/44/93/892484493.db2.gz MDIVLRWPIAOCCC-NSHDSACASA-N 1 2 284.360 -1.161 20 0 CAADLO CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)CNC(C)=O)C1 ZINC001479896796 892484496 /nfs/dbraw/zinc/48/44/96/892484496.db2.gz MDIVLRWPIAOCCC-NSHDSACASA-N 1 2 284.360 -1.161 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)C(N)=O)C1 ZINC001479905530 892484671 /nfs/dbraw/zinc/48/46/71/892484671.db2.gz MNTBLCZNSWUVFC-RKDXNWHRSA-N 1 2 284.360 -1.048 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CCC[C@@H](NC(=O)C(C)(C)C(N)=O)C1 ZINC001479905530 892484682 /nfs/dbraw/zinc/48/46/82/892484682.db2.gz MNTBLCZNSWUVFC-RKDXNWHRSA-N 1 2 284.360 -1.048 20 0 CAADLO CO[C@@H](C)C(=O)NCCN1CC[NH+]([C@@H](C)C(N)=O)CC1 ZINC001479926513 892486227 /nfs/dbraw/zinc/48/62/27/892486227.db2.gz DPCDGROXZQSIIJ-QWRGUYRKSA-N 1 2 286.376 -1.371 20 0 CAADLO CNC(=O)[C@@H](C)[NH+]1CCN(CCNC(=O)COC)CC1 ZINC001479922378 892486854 /nfs/dbraw/zinc/48/68/54/892486854.db2.gz AHGPGKOZCNMPHL-LLVKDONJSA-N 1 2 286.376 -1.499 20 0 CAADLO CS(=O)(=O)CCC(=O)N[C@@H]1CC[N@H+](CCO)C1 ZINC001479956816 892490294 /nfs/dbraw/zinc/49/02/94/892490294.db2.gz YPJNGAHSVVEMSO-SECBINFHSA-N 1 2 264.347 -1.396 20 0 CAADLO CS(=O)(=O)CCC(=O)N[C@@H]1CC[N@@H+](CCO)C1 ZINC001479956816 892490299 /nfs/dbraw/zinc/49/02/99/892490299.db2.gz YPJNGAHSVVEMSO-SECBINFHSA-N 1 2 264.347 -1.396 20 0 CAADLO C[C@@H](C(N)=O)[NH+]1CCN(CCNC(=O)c2cnco2)CC1 ZINC001479935010 892491220 /nfs/dbraw/zinc/49/12/20/892491220.db2.gz WQNBBVGLALVDEU-JTQLQIEISA-N 1 2 295.343 -1.104 20 0 CAADLO C[C@H](C(N)=O)[NH+]1CCN(CCNC(=O)c2cnco2)CC1 ZINC001479935011 892491799 /nfs/dbraw/zinc/49/17/99/892491799.db2.gz WQNBBVGLALVDEU-SNVBAGLBSA-N 1 2 295.343 -1.104 20 0 CAADLO O=C(NCC[NH+]1CCN(CCF)CC1)[C@H]1CCNC1=O ZINC001479934807 892492169 /nfs/dbraw/zinc/49/21/69/892492169.db2.gz SGEUXPCQWLCKKA-NSHDSACASA-N 1 2 286.351 -1.174 20 0 CAADLO CNC(=O)C1(C(=O)N[C@H]2CC[N@@H+]([C@@H](C)C(N)=O)C2)CC1 ZINC001479967523 892493487 /nfs/dbraw/zinc/49/34/87/892493487.db2.gz WPSKMQLWWZTDSB-IUCAKERBSA-N 1 2 282.344 -1.423 20 0 CAADLO CNC(=O)C1(C(=O)N[C@H]2CC[N@H+]([C@@H](C)C(N)=O)C2)CC1 ZINC001479967523 892493494 /nfs/dbraw/zinc/49/34/94/892493494.db2.gz WPSKMQLWWZTDSB-IUCAKERBSA-N 1 2 282.344 -1.423 20 0 CAADLO CCOCCOCC(=O)N[C@H]1CC[N@H+](CC(=O)NC)C1 ZINC001479972750 892493522 /nfs/dbraw/zinc/49/35/22/892493522.db2.gz NMDRRMRZPDHZOL-NSHDSACASA-N 1 2 287.360 -1.024 20 0 CAADLO CCOCCOCC(=O)N[C@H]1CC[N@@H+](CC(=O)NC)C1 ZINC001479972750 892493528 /nfs/dbraw/zinc/49/35/28/892493528.db2.gz NMDRRMRZPDHZOL-NSHDSACASA-N 1 2 287.360 -1.024 20 0 CAADLO CC(=O)NCC(=O)NC[C@H]([NH2+]Cc1nnn(C)n1)C1CC1 ZINC001479999406 892494275 /nfs/dbraw/zinc/49/42/75/892494275.db2.gz JGKAGCACTNLZJF-JTQLQIEISA-N 1 2 295.347 -1.669 20 0 CAADLO CNC(=O)C1(C(=O)N[C@H]2CC[N@@H+]([C@H](C)C(N)=O)C2)CC1 ZINC001479967522 892494388 /nfs/dbraw/zinc/49/43/88/892494388.db2.gz WPSKMQLWWZTDSB-BDAKNGLRSA-N 1 2 282.344 -1.423 20 0 CAADLO CNC(=O)C1(C(=O)N[C@H]2CC[N@H+]([C@H](C)C(N)=O)C2)CC1 ZINC001479967522 892494395 /nfs/dbraw/zinc/49/43/95/892494395.db2.gz WPSKMQLWWZTDSB-BDAKNGLRSA-N 1 2 282.344 -1.423 20 0 CAADLO CC(=O)NCC(=O)NC[C@@H]([NH2+]Cc1nnn(C)n1)C1CC1 ZINC001479999408 892494889 /nfs/dbraw/zinc/49/48/89/892494889.db2.gz JGKAGCACTNLZJF-SNVBAGLBSA-N 1 2 295.347 -1.669 20 0 CAADLO CN(CC[N@@H+]1CC[C@H](NC(=O)C(N)=O)C1)S(C)(=O)=O ZINC001479962227 892495146 /nfs/dbraw/zinc/49/51/46/892495146.db2.gz QXUXHUJYVBWGCH-QMMMGPOBSA-N 1 2 292.361 -2.446 20 0 CAADLO CN(CC[N@H+]1CC[C@H](NC(=O)C(N)=O)C1)S(C)(=O)=O ZINC001479962227 892495151 /nfs/dbraw/zinc/49/51/51/892495151.db2.gz QXUXHUJYVBWGCH-QMMMGPOBSA-N 1 2 292.361 -2.446 20 0 CAADLO Cn1nnc(C[NH2+][C@H]2C[C@H](NC(=O)C3(C(N)=O)CC3)C2)n1 ZINC001480154698 892503997 /nfs/dbraw/zinc/50/39/97/892503997.db2.gz UNPJJBWMWKYORD-ZKCHVHJHSA-N 1 2 293.331 -1.788 20 0 CAADLO Cc1nc(CC(=O)NC[C@H]2CCC[N@H+](CC(N)=O)C2)n[nH]1 ZINC001480252545 892508669 /nfs/dbraw/zinc/50/86/69/892508669.db2.gz MYVOGEQCDBYGDA-SNVBAGLBSA-N 1 2 294.359 -1.031 20 0 CAADLO Cc1nc(CC(=O)NC[C@H]2CCC[N@@H+](CC(N)=O)C2)n[nH]1 ZINC001480252545 892508682 /nfs/dbraw/zinc/50/86/82/892508682.db2.gz MYVOGEQCDBYGDA-SNVBAGLBSA-N 1 2 294.359 -1.031 20 0 CAADLO COCCC(=O)NC[C@H](C)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001480413597 892511939 /nfs/dbraw/zinc/51/19/39/892511939.db2.gz MZKWOSLTWQEYHQ-QMMMGPOBSA-N 1 2 271.321 -1.261 20 0 CAADLO O=C(Cn1ncnn1)N1CC[NH+](CCn2cncn2)CC1 ZINC001480359854 892512471 /nfs/dbraw/zinc/51/24/71/892512471.db2.gz WNHDNZZAXGOLAX-UHFFFAOYSA-N 1 2 291.319 -1.891 20 0 CAADLO C[C@H](CNC(=O)c1cnn(C)c1)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001480422163 892513373 /nfs/dbraw/zinc/51/33/73/892513373.db2.gz PUJSJNMUUMFPMB-MRVPVSSYSA-N 1 2 293.331 -1.250 20 0 CAADLO CCc1noc(C[NH2+][C@@H](C)CNC(=O)Cn2cnnn2)n1 ZINC001480421878 892516003 /nfs/dbraw/zinc/51/60/03/892516003.db2.gz OBNYMFFEYVMNFR-QMMMGPOBSA-N 1 2 294.319 -1.087 20 0 CAADLO C[C@H](CNC(=O)c1cn(C)cn1)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001480445743 892517269 /nfs/dbraw/zinc/51/72/69/892517269.db2.gz FUBWWILRPSGAGG-MRVPVSSYSA-N 1 2 293.331 -1.250 20 0 CAADLO Cc1noc(C[NH2+][C@@H](C)CNC(=O)[C@H]2CNC(=O)N2)n1 ZINC001480525395 892525845 /nfs/dbraw/zinc/52/58/45/892525845.db2.gz AHDLABUUDQHKHP-POYBYMJQSA-N 1 2 282.304 -1.346 20 0 CAADLO C[C@@H](CNC(=O)[C@H]1[C@@H]2COC[C@@H]21)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001480518227 892525944 /nfs/dbraw/zinc/52/59/44/892525944.db2.gz NSABQCWERYYQPG-WYOJIJJFSA-N 1 2 295.343 -1.405 20 0 CAADLO C[C@H](CNC(=O)C(N)=O)[NH2+][C@H](C)c1nnnn1C ZINC001480529911 892530629 /nfs/dbraw/zinc/53/06/29/892530629.db2.gz VZJZHKPWBYJAQC-PHDIDXHHSA-N 1 2 255.282 -2.149 20 0 CAADLO C[C@H](CNC(=O)C(N)=O)[NH2+][C@@H](C)c1nnnn1C ZINC001480529912 892530723 /nfs/dbraw/zinc/53/07/23/892530723.db2.gz VZJZHKPWBYJAQC-RITPCOANSA-N 1 2 255.282 -2.149 20 0 CAADLO Cc1ccnc(C[NH2+][C@@H](C)CNC(=O)C(N)=O)n1 ZINC001480526354 892530890 /nfs/dbraw/zinc/53/08/90/892530890.db2.gz DEZLHENIXHGTPZ-QMMMGPOBSA-N 1 2 251.290 -1.135 20 0 CAADLO C[C@@H](CNC(=O)Cc1ncc[nH]1)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001480563632 892533241 /nfs/dbraw/zinc/53/32/41/892533241.db2.gz ZILLJWGMEGZHPP-QMMMGPOBSA-N 1 2 293.331 -1.332 20 0 CAADLO C[C@@H](CNC(=O)Cc1nc[nH]n1)[NH2+]Cc1nnnn1C ZINC001480568061 892533478 /nfs/dbraw/zinc/53/34/78/892533478.db2.gz CGVYVNKSWVCOIW-ZETCQYMHSA-N 1 2 279.308 -1.835 20 0 CAADLO C[C@H](CNC(=O)C(=O)NCC1CC1)[NH2+]Cc1nnnn1C ZINC001480561668 892534204 /nfs/dbraw/zinc/53/42/04/892534204.db2.gz LRXVYSBHOOYCOX-MRVPVSSYSA-N 1 2 295.347 -1.669 20 0 CAADLO C[C@H](CNC(=O)Cc1nc[nH]n1)[NH2+]Cc1nnnn1C ZINC001480568055 892534767 /nfs/dbraw/zinc/53/47/67/892534767.db2.gz CGVYVNKSWVCOIW-SSDOTTSWSA-N 1 2 279.308 -1.835 20 0 CAADLO C[C@@H](CNC(=O)CN1C(=O)CNC1=O)[NH2+]Cc1cnon1 ZINC001480587315 892535706 /nfs/dbraw/zinc/53/57/06/892535706.db2.gz QYTMWHPWFDJYQQ-ZETCQYMHSA-N 1 2 296.287 -1.784 20 0 CAADLO CC(=O)NCC(=O)NCC[N@@H+](C)CC(=O)NCC(C)C ZINC001480837318 892544687 /nfs/dbraw/zinc/54/46/87/892544687.db2.gz XBNBZWQFCROWLH-UHFFFAOYSA-N 1 2 286.376 -1.057 20 0 CAADLO CC(=O)NCC(=O)NCC[N@H+](C)CC(=O)NCC(C)C ZINC001480837318 892544700 /nfs/dbraw/zinc/54/47/00/892544700.db2.gz XBNBZWQFCROWLH-UHFFFAOYSA-N 1 2 286.376 -1.057 20 0 CAADLO CCNC(=O)CC(=O)NCC[N@H+](C)Cc1nc(=O)n(C)[nH]1 ZINC001480856831 892547608 /nfs/dbraw/zinc/54/76/08/892547608.db2.gz ILHSFNBOPQOGFD-UHFFFAOYSA-N 1 2 298.347 -1.817 20 0 CAADLO CCNC(=O)CC(=O)NCC[N@@H+](C)Cc1nc(=O)n(C)[nH]1 ZINC001480856831 892547618 /nfs/dbraw/zinc/54/76/18/892547618.db2.gz ILHSFNBOPQOGFD-UHFFFAOYSA-N 1 2 298.347 -1.817 20 0 CAADLO Cn1[nH]c(C[N@H+](C)CCNC(=O)c2cnns2)nc1=O ZINC001480843782 892549013 /nfs/dbraw/zinc/54/90/13/892549013.db2.gz GXXNKHXMCKWAIN-UHFFFAOYSA-N 1 2 297.344 -1.178 20 0 CAADLO Cn1[nH]c(C[N@@H+](C)CCNC(=O)c2cnns2)nc1=O ZINC001480843782 892549022 /nfs/dbraw/zinc/54/90/22/892549022.db2.gz GXXNKHXMCKWAIN-UHFFFAOYSA-N 1 2 297.344 -1.178 20 0 CAADLO CNC(=O)C[N@@H+](C)CCNC(=O)[C@H]1CCC(=O)N1 ZINC001480849067 892550056 /nfs/dbraw/zinc/55/00/56/892550056.db2.gz MBLQVIRYOMIODM-MRVPVSSYSA-N 1 2 256.306 -1.941 20 0 CAADLO CNC(=O)C[N@H+](C)CCNC(=O)[C@H]1CCC(=O)N1 ZINC001480849067 892550046 /nfs/dbraw/zinc/55/00/46/892550046.db2.gz MBLQVIRYOMIODM-MRVPVSSYSA-N 1 2 256.306 -1.941 20 0 CAADLO CC(C)NC(=O)C[N@H+](C)CCNC(=O)[C@H]1CCC(=O)N1 ZINC001480849425 892550962 /nfs/dbraw/zinc/55/09/62/892550962.db2.gz ZOSMFNVMRBFTFW-SNVBAGLBSA-N 1 2 284.360 -1.162 20 0 CAADLO CC(C)NC(=O)C[N@@H+](C)CCNC(=O)[C@H]1CCC(=O)N1 ZINC001480849425 892550969 /nfs/dbraw/zinc/55/09/69/892550969.db2.gz ZOSMFNVMRBFTFW-SNVBAGLBSA-N 1 2 284.360 -1.162 20 0 CAADLO C[N@H+](CCNC(=O)Cn1ncnn1)CC(=O)NCC1CC1 ZINC001480864345 892552156 /nfs/dbraw/zinc/55/21/56/892552156.db2.gz OPORXSGHAUMBKT-UHFFFAOYSA-N 1 2 295.347 -1.753 20 0 CAADLO C[N@@H+](CCNC(=O)Cn1ncnn1)CC(=O)NCC1CC1 ZINC001480864345 892552166 /nfs/dbraw/zinc/55/21/66/892552166.db2.gz OPORXSGHAUMBKT-UHFFFAOYSA-N 1 2 295.347 -1.753 20 0 CAADLO C[N@H+](CCNC(=O)c1cn[nH]n1)[C@H]1CCNC1=O ZINC001480885308 892552647 /nfs/dbraw/zinc/55/26/47/892552647.db2.gz WUCXGULYOOJBNW-QMMMGPOBSA-N 1 2 252.278 -1.645 20 0 CAADLO C[N@@H+](CCNC(=O)c1cn[nH]n1)[C@H]1CCNC1=O ZINC001480885308 892552657 /nfs/dbraw/zinc/55/26/57/892552657.db2.gz WUCXGULYOOJBNW-QMMMGPOBSA-N 1 2 252.278 -1.645 20 0 CAADLO C[N@H+](CCNC(=O)c1cnn[nH]1)[C@H]1CCNC1=O ZINC001480885308 892552670 /nfs/dbraw/zinc/55/26/70/892552670.db2.gz WUCXGULYOOJBNW-QMMMGPOBSA-N 1 2 252.278 -1.645 20 0 CAADLO C[N@@H+](CCNC(=O)c1cnn[nH]1)[C@H]1CCNC1=O ZINC001480885308 892552685 /nfs/dbraw/zinc/55/26/85/892552685.db2.gz WUCXGULYOOJBNW-QMMMGPOBSA-N 1 2 252.278 -1.645 20 0 CAADLO CNC(=O)C[N@H+](C)CCNC(=O)CO[C@@H]1CCOC1 ZINC001480864441 892552890 /nfs/dbraw/zinc/55/28/90/892552890.db2.gz PHCGEFPMVBQLQP-SNVBAGLBSA-N 1 2 273.333 -1.414 20 0 CAADLO CNC(=O)C[N@@H+](C)CCNC(=O)CO[C@@H]1CCOC1 ZINC001480864441 892552902 /nfs/dbraw/zinc/55/29/02/892552902.db2.gz PHCGEFPMVBQLQP-SNVBAGLBSA-N 1 2 273.333 -1.414 20 0 CAADLO Cn1[nH]c(C[N@H+](C)CCNC(=O)Cn2ncnn2)nc1=O ZINC001480863713 892552975 /nfs/dbraw/zinc/55/29/75/892552975.db2.gz FITAADBOOMBZOG-UHFFFAOYSA-N 1 2 295.307 -2.657 20 0 CAADLO Cn1[nH]c(C[N@@H+](C)CCNC(=O)Cn2ncnn2)nc1=O ZINC001480863713 892552985 /nfs/dbraw/zinc/55/29/85/892552985.db2.gz FITAADBOOMBZOG-UHFFFAOYSA-N 1 2 295.307 -2.657 20 0 CAADLO C[N@H+](CCNC(=O)c1cnc2[nH]c(=O)[nH]c2c1)CC(N)=O ZINC001480882649 892553352 /nfs/dbraw/zinc/55/33/52/892553352.db2.gz RYACFSJKCLWGFD-UHFFFAOYSA-N 1 2 292.299 -1.190 20 0 CAADLO C[N@@H+](CCNC(=O)c1cnc2[nH]c(=O)[nH]c2c1)CC(N)=O ZINC001480882649 892553358 /nfs/dbraw/zinc/55/33/58/892553358.db2.gz RYACFSJKCLWGFD-UHFFFAOYSA-N 1 2 292.299 -1.190 20 0 CAADLO C[N@H+](CCNC(=O)[C@H]1CCC(=O)NC1)CC(=O)N1CCC1 ZINC001480884205 892553605 /nfs/dbraw/zinc/55/36/05/892553605.db2.gz QWTXHTLTGBKWIN-NSHDSACASA-N 1 2 296.371 -1.207 20 0 CAADLO C[N@@H+](CCNC(=O)[C@H]1CCC(=O)NC1)CC(=O)N1CCC1 ZINC001480884205 892553615 /nfs/dbraw/zinc/55/36/15/892553615.db2.gz QWTXHTLTGBKWIN-NSHDSACASA-N 1 2 296.371 -1.207 20 0 CAADLO CN1C(=O)CC[C@H]1C(=O)NCC[N@@H+](C)CC(N)=O ZINC001480901277 892557734 /nfs/dbraw/zinc/55/77/34/892557734.db2.gz LVXNRYDKGGZFTQ-QMMMGPOBSA-N 1 2 256.306 -1.860 20 0 CAADLO COCCn1cc(C(=O)NCC[N@H+](C)CC(N)=O)nn1 ZINC001480864275 892553812 /nfs/dbraw/zinc/55/38/12/892553812.db2.gz MYHKVMQTNBIFAD-UHFFFAOYSA-N 1 2 284.320 -1.929 20 0 CAADLO COCCn1cc(C(=O)NCC[N@@H+](C)CC(N)=O)nn1 ZINC001480864275 892553823 /nfs/dbraw/zinc/55/38/23/892553823.db2.gz MYHKVMQTNBIFAD-UHFFFAOYSA-N 1 2 284.320 -1.929 20 0 CAADLO CNC(=O)C[N@H+](C)CCNC(=O)[C@@H](C)N1C(=O)CCC1=O ZINC001480872080 892553904 /nfs/dbraw/zinc/55/39/04/892553904.db2.gz VQXHNKQDNWSLRS-SECBINFHSA-N 1 2 298.343 -1.682 20 0 CAADLO CNC(=O)C[N@@H+](C)CCNC(=O)[C@@H](C)N1C(=O)CCC1=O ZINC001480872080 892553911 /nfs/dbraw/zinc/55/39/11/892553911.db2.gz VQXHNKQDNWSLRS-SECBINFHSA-N 1 2 298.343 -1.682 20 0 CAADLO CNC(=O)C[N@H+](C)CCNC(=O)c1cc(=O)n(C)cn1 ZINC001480875783 892554237 /nfs/dbraw/zinc/55/42/37/892554237.db2.gz UZYWOPVLONTUCP-UHFFFAOYSA-N 1 2 281.316 -1.812 20 0 CAADLO CNC(=O)C[N@@H+](C)CCNC(=O)c1cc(=O)n(C)cn1 ZINC001480875783 892554247 /nfs/dbraw/zinc/55/42/47/892554247.db2.gz UZYWOPVLONTUCP-UHFFFAOYSA-N 1 2 281.316 -1.812 20 0 CAADLO Cc1nn(C)cc1CC(=O)NCC[N@H+](C)CC(N)=O ZINC001480874782 892554489 /nfs/dbraw/zinc/55/44/89/892554489.db2.gz BVFMZPQRTZEWGY-UHFFFAOYSA-N 1 2 267.333 -1.196 20 0 CAADLO Cc1nn(C)cc1CC(=O)NCC[N@@H+](C)CC(N)=O ZINC001480874782 892554505 /nfs/dbraw/zinc/55/45/05/892554505.db2.gz BVFMZPQRTZEWGY-UHFFFAOYSA-N 1 2 267.333 -1.196 20 0 CAADLO Cc1nc[nH]c(=O)c1CCC(=O)NCC[N@@H+](C)CC(N)=O ZINC001480884263 892555150 /nfs/dbraw/zinc/55/51/50/892555150.db2.gz FJNWQNDZOKWELL-UHFFFAOYSA-N 1 2 295.343 -1.043 20 0 CAADLO Cc1nc[nH]c(=O)c1CCC(=O)NCC[N@H+](C)CC(N)=O ZINC001480884263 892555179 /nfs/dbraw/zinc/55/51/79/892555179.db2.gz FJNWQNDZOKWELL-UHFFFAOYSA-N 1 2 295.343 -1.043 20 0 CAADLO CNC(=O)C[N@H+](C)CCNC(=O)c1cc(OC)n(C)n1 ZINC001480889201 892555449 /nfs/dbraw/zinc/55/54/49/892555449.db2.gz LBPZALZQMRNVEE-UHFFFAOYSA-N 1 2 283.332 -1.164 20 0 CAADLO CNC(=O)C[N@@H+](C)CCNC(=O)c1cc(OC)n(C)n1 ZINC001480889201 892555459 /nfs/dbraw/zinc/55/54/59/892555459.db2.gz LBPZALZQMRNVEE-UHFFFAOYSA-N 1 2 283.332 -1.164 20 0 CAADLO CNC(=O)C[N@H+](C)CCNC(=O)c1ccc(=O)n(C)c1 ZINC001480885091 892555602 /nfs/dbraw/zinc/55/56/02/892555602.db2.gz TTYXKKMCJVLMGW-UHFFFAOYSA-N 1 2 280.328 -1.207 20 0 CAADLO CNC(=O)C[N@@H+](C)CCNC(=O)c1ccc(=O)n(C)c1 ZINC001480885091 892555614 /nfs/dbraw/zinc/55/56/14/892555614.db2.gz TTYXKKMCJVLMGW-UHFFFAOYSA-N 1 2 280.328 -1.207 20 0 CAADLO CN(C(=O)C[N@H+](C)CCNC(=O)C(N)=O)C1CC1 ZINC001480912513 892557050 /nfs/dbraw/zinc/55/70/50/892557050.db2.gz PHIDUFIKILIGKR-UHFFFAOYSA-N 1 2 256.306 -1.860 20 0 CAADLO CN(C(=O)C[N@@H+](C)CCNC(=O)C(N)=O)C1CC1 ZINC001480912513 892557061 /nfs/dbraw/zinc/55/70/61/892557061.db2.gz PHIDUFIKILIGKR-UHFFFAOYSA-N 1 2 256.306 -1.860 20 0 CAADLO C[N@H+](CCNC(=O)[C@@]1(C)CCC(=O)NC1)CC(N)=O ZINC001480905567 892557090 /nfs/dbraw/zinc/55/70/90/892557090.db2.gz YMGVKPZCHSDJPB-LBPRGKRZSA-N 1 2 270.333 -1.564 20 0 CAADLO C[N@@H+](CCNC(=O)[C@@]1(C)CCC(=O)NC1)CC(N)=O ZINC001480905567 892557104 /nfs/dbraw/zinc/55/71/04/892557104.db2.gz YMGVKPZCHSDJPB-LBPRGKRZSA-N 1 2 270.333 -1.564 20 0 CAADLO CN1C(=O)CC[C@H]1C(=O)NCC[N@H+](C)CC(N)=O ZINC001480901277 892557729 /nfs/dbraw/zinc/55/77/29/892557729.db2.gz LVXNRYDKGGZFTQ-QMMMGPOBSA-N 1 2 256.306 -1.860 20 0 CAADLO CC(C)CNC(=O)C[N@H+](C)CCNC(=O)[C@@H]1CCNC1=O ZINC001480898935 892557594 /nfs/dbraw/zinc/55/75/94/892557594.db2.gz WNKFGKINEKCRSN-LLVKDONJSA-N 1 2 298.387 -1.057 20 0 CAADLO CC(C)CNC(=O)C[N@@H+](C)CCNC(=O)[C@@H]1CCNC1=O ZINC001480898935 892557599 /nfs/dbraw/zinc/55/75/99/892557599.db2.gz WNKFGKINEKCRSN-LLVKDONJSA-N 1 2 298.387 -1.057 20 0 CAADLO C[N@H+](CCNC(=O)C1(C(N)=O)CC1)CC(=O)N1CCCC1 ZINC001480912234 892558146 /nfs/dbraw/zinc/55/81/46/892558146.db2.gz LYEPUTXAHBFNRG-UHFFFAOYSA-N 1 2 296.371 -1.078 20 0 CAADLO C[N@@H+](CCNC(=O)C1(C(N)=O)CC1)CC(=O)N1CCCC1 ZINC001480912234 892558152 /nfs/dbraw/zinc/55/81/52/892558152.db2.gz LYEPUTXAHBFNRG-UHFFFAOYSA-N 1 2 296.371 -1.078 20 0 CAADLO CC(C)CNC(=O)C[N@H+](C)CCNC(=O)[C@H]1CCNC1=O ZINC001480898937 892558242 /nfs/dbraw/zinc/55/82/42/892558242.db2.gz WNKFGKINEKCRSN-NSHDSACASA-N 1 2 298.387 -1.057 20 0 CAADLO CC(C)CNC(=O)C[N@@H+](C)CCNC(=O)[C@H]1CCNC1=O ZINC001480898937 892558247 /nfs/dbraw/zinc/55/82/47/892558247.db2.gz WNKFGKINEKCRSN-NSHDSACASA-N 1 2 298.387 -1.057 20 0 CAADLO CC1CCN(C(=O)C[N@H+](C)CCNC(=O)C(N)=O)CC1 ZINC001480912501 892558816 /nfs/dbraw/zinc/55/88/16/892558816.db2.gz OWYJTAFUCLQQEC-UHFFFAOYSA-N 1 2 284.360 -1.222 20 0 CAADLO CC1CCN(C(=O)C[N@@H+](C)CCNC(=O)C(N)=O)CC1 ZINC001480912501 892558828 /nfs/dbraw/zinc/55/88/28/892558828.db2.gz OWYJTAFUCLQQEC-UHFFFAOYSA-N 1 2 284.360 -1.222 20 0 CAADLO CCCNC(=O)[C@H](C)[N@H+](C)CCNC(=O)C(N)=O ZINC001480912757 892559543 /nfs/dbraw/zinc/55/95/43/892559543.db2.gz YETODPSYAQWSFZ-QMMMGPOBSA-N 1 2 258.322 -1.566 20 0 CAADLO CCCNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)C(N)=O ZINC001480912757 892559574 /nfs/dbraw/zinc/55/95/74/892559574.db2.gz YETODPSYAQWSFZ-QMMMGPOBSA-N 1 2 258.322 -1.566 20 0 CAADLO C[N@H+](CCNC(=O)Cn1cncn1)CC(=O)N1CCC1 ZINC001480943742 892561230 /nfs/dbraw/zinc/56/12/30/892561230.db2.gz FBLNZTUUEVMYBO-UHFFFAOYSA-N 1 2 280.332 -1.442 20 0 CAADLO C[N@@H+](CCNC(=O)Cn1cncn1)CC(=O)N1CCC1 ZINC001480943742 892561236 /nfs/dbraw/zinc/56/12/36/892561236.db2.gz FBLNZTUUEVMYBO-UHFFFAOYSA-N 1 2 280.332 -1.442 20 0 CAADLO CNC(=O)C[N@H+](C)CCNC(=O)[C@@H](C)[C@@H]1CCC(=O)N1 ZINC001480915341 892561411 /nfs/dbraw/zinc/56/14/11/892561411.db2.gz WAAYADIAOXOURF-UWVGGRQHSA-N 1 2 284.360 -1.305 20 0 CAADLO CNC(=O)C[N@@H+](C)CCNC(=O)[C@@H](C)[C@@H]1CCC(=O)N1 ZINC001480915341 892561422 /nfs/dbraw/zinc/56/14/22/892561422.db2.gz WAAYADIAOXOURF-UWVGGRQHSA-N 1 2 284.360 -1.305 20 0 CAADLO C[N@H+](CCNC(=O)[C@@H]1CCCN1C(=O)C1CC1)CC(N)=O ZINC001480921444 892561693 /nfs/dbraw/zinc/56/16/93/892561693.db2.gz KQXFQYSWTJQOPB-NSHDSACASA-N 1 2 296.371 -1.079 20 0 CAADLO C[N@@H+](CCNC(=O)[C@@H]1CCCN1C(=O)C1CC1)CC(N)=O ZINC001480921444 892561705 /nfs/dbraw/zinc/56/17/05/892561705.db2.gz KQXFQYSWTJQOPB-NSHDSACASA-N 1 2 296.371 -1.079 20 0 CAADLO CNC(=O)C[N@H+](C)CCNC(=O)c1cccn(C)c1=O ZINC001480938310 892562270 /nfs/dbraw/zinc/56/22/70/892562270.db2.gz RYRXPRLRBGNZKT-UHFFFAOYSA-N 1 2 280.328 -1.207 20 0 CAADLO CNC(=O)C[N@@H+](C)CCNC(=O)c1cccn(C)c1=O ZINC001480938310 892562284 /nfs/dbraw/zinc/56/22/84/892562284.db2.gz RYRXPRLRBGNZKT-UHFFFAOYSA-N 1 2 280.328 -1.207 20 0 CAADLO C[C@@H](C(N)=O)[N@H+](C)CCNC(=O)C(=O)NCC1CC1 ZINC001480929602 892562596 /nfs/dbraw/zinc/56/25/96/892562596.db2.gz HKNGGTCPIZIZTE-QMMMGPOBSA-N 1 2 270.333 -1.566 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+](C)CCNC(=O)C(=O)NCC1CC1 ZINC001480929602 892562602 /nfs/dbraw/zinc/56/26/02/892562602.db2.gz HKNGGTCPIZIZTE-QMMMGPOBSA-N 1 2 270.333 -1.566 20 0 CAADLO CNC(=O)C[N@H+](C)CCNC(=O)Cc1ncc[nH]1 ZINC001480927390 892562978 /nfs/dbraw/zinc/56/29/78/892562978.db2.gz JUFMFELWXFEQEM-UHFFFAOYSA-N 1 2 253.306 -1.254 20 0 CAADLO CNC(=O)C[N@@H+](C)CCNC(=O)Cc1ncc[nH]1 ZINC001480927390 892562987 /nfs/dbraw/zinc/56/29/87/892562987.db2.gz JUFMFELWXFEQEM-UHFFFAOYSA-N 1 2 253.306 -1.254 20 0 CAADLO CCNC(=O)C[N@H+](C)CCNC(=O)c1cnn(C)n1 ZINC001480926230 892563103 /nfs/dbraw/zinc/56/31/03/892563103.db2.gz NDIRZPSJBDPRRX-UHFFFAOYSA-N 1 2 268.321 -1.387 20 0 CAADLO CCNC(=O)C[N@@H+](C)CCNC(=O)c1cnn(C)n1 ZINC001480926230 892563111 /nfs/dbraw/zinc/56/31/11/892563111.db2.gz NDIRZPSJBDPRRX-UHFFFAOYSA-N 1 2 268.321 -1.387 20 0 CAADLO CN(C)C(=O)C[N@H+](C)CCNC(=O)Cn1ccccc1=O ZINC001480945175 892563133 /nfs/dbraw/zinc/56/31/33/892563133.db2.gz MTKKETBCNYSOMZ-UHFFFAOYSA-N 1 2 294.355 -1.016 20 0 CAADLO CN(C)C(=O)C[N@@H+](C)CCNC(=O)Cn1ccccc1=O ZINC001480945175 892563140 /nfs/dbraw/zinc/56/31/40/892563140.db2.gz MTKKETBCNYSOMZ-UHFFFAOYSA-N 1 2 294.355 -1.016 20 0 CAADLO CNC(=O)c1ccc(C(=O)NCC[N@H+](C)CC(N)=O)cn1 ZINC001480936961 892563879 /nfs/dbraw/zinc/56/38/79/892563879.db2.gz XFNMDBDKXRBQTC-UHFFFAOYSA-N 1 2 293.327 -1.412 20 0 CAADLO CNC(=O)c1ccc(C(=O)NCC[N@@H+](C)CC(N)=O)cn1 ZINC001480936961 892563887 /nfs/dbraw/zinc/56/38/87/892563887.db2.gz XFNMDBDKXRBQTC-UHFFFAOYSA-N 1 2 293.327 -1.412 20 0 CAADLO C[N@H+](CCNC(=O)CCc1ncccn1)CC(N)=O ZINC001480926447 892564412 /nfs/dbraw/zinc/56/44/12/892564412.db2.gz VZAKEWHLTPHMGE-UHFFFAOYSA-N 1 2 265.317 -1.058 20 0 CAADLO C[N@@H+](CCNC(=O)CCc1ncccn1)CC(N)=O ZINC001480926447 892564417 /nfs/dbraw/zinc/56/44/17/892564417.db2.gz VZAKEWHLTPHMGE-UHFFFAOYSA-N 1 2 265.317 -1.058 20 0 CAADLO C[N@H+](CCNC(=O)CCNC(=O)c1ccco1)CC(N)=O ZINC001480944068 892564555 /nfs/dbraw/zinc/56/45/55/892564555.db2.gz QWIADNUSKAFKBJ-UHFFFAOYSA-N 1 2 296.327 -1.067 20 0 CAADLO C[N@@H+](CCNC(=O)CCNC(=O)c1ccco1)CC(N)=O ZINC001480944068 892564561 /nfs/dbraw/zinc/56/45/61/892564561.db2.gz QWIADNUSKAFKBJ-UHFFFAOYSA-N 1 2 296.327 -1.067 20 0 CAADLO C[N@H+](CCNC(=O)CCn1cnccc1=O)CC(N)=O ZINC001480929540 892564744 /nfs/dbraw/zinc/56/47/44/892564744.db2.gz FHUNZXVBUHLRBJ-UHFFFAOYSA-N 1 2 281.316 -1.833 20 0 CAADLO C[N@@H+](CCNC(=O)CCn1cnccc1=O)CC(N)=O ZINC001480929540 892564749 /nfs/dbraw/zinc/56/47/49/892564749.db2.gz FHUNZXVBUHLRBJ-UHFFFAOYSA-N 1 2 281.316 -1.833 20 0 CAADLO CCNC(=O)C[N@H+](C)CCNC(=O)c1c[nH]c(C(N)=O)c1 ZINC001480947485 892564797 /nfs/dbraw/zinc/56/47/97/892564797.db2.gz WLHJOGRDOYAZKI-UHFFFAOYSA-N 1 2 295.343 -1.089 20 0 CAADLO CCNC(=O)C[N@@H+](C)CCNC(=O)c1c[nH]c(C(N)=O)c1 ZINC001480947485 892564803 /nfs/dbraw/zinc/56/48/03/892564803.db2.gz WLHJOGRDOYAZKI-UHFFFAOYSA-N 1 2 295.343 -1.089 20 0 CAADLO CN1CCCC[C@H](C(=O)NCC[N@H+](C)CC(N)=O)C1=O ZINC001480935659 892564867 /nfs/dbraw/zinc/56/48/67/892564867.db2.gz IZGORTNAJVXWBK-SNVBAGLBSA-N 1 2 284.360 -1.222 20 0 CAADLO CN1CCCC[C@H](C(=O)NCC[N@@H+](C)CC(N)=O)C1=O ZINC001480935659 892564872 /nfs/dbraw/zinc/56/48/72/892564872.db2.gz IZGORTNAJVXWBK-SNVBAGLBSA-N 1 2 284.360 -1.222 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)C(=O)NCC1CC1 ZINC001480930795 892565055 /nfs/dbraw/zinc/56/50/55/892565055.db2.gz VNQIWNSXUJAZII-SECBINFHSA-N 1 2 284.360 -1.305 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)NCC1CC1 ZINC001480930795 892565072 /nfs/dbraw/zinc/56/50/72/892565072.db2.gz VNQIWNSXUJAZII-SECBINFHSA-N 1 2 284.360 -1.305 20 0 CAADLO CN(CCNC(=O)Cc1c[nH]c[nH+]1)Cc1nnn(C)n1 ZINC001480916666 892565771 /nfs/dbraw/zinc/56/57/71/892565771.db2.gz XGBODLUOIXLRIM-UHFFFAOYSA-N 1 2 278.320 -1.276 20 0 CAADLO CC[N@H+](CCNC(=O)[C@H]1COC(=O)N1)Cc1cnnn1C ZINC001480972242 892568560 /nfs/dbraw/zinc/56/85/60/892568560.db2.gz HUHCAMNKEGSUQU-SNVBAGLBSA-N 1 2 296.331 -1.138 20 0 CAADLO CC[N@@H+](CCNC(=O)[C@H]1COC(=O)N1)Cc1cnnn1C ZINC001480972242 892568573 /nfs/dbraw/zinc/56/85/73/892568573.db2.gz HUHCAMNKEGSUQU-SNVBAGLBSA-N 1 2 296.331 -1.138 20 0 CAADLO CC[N@H+](CCNC(=O)Cc1n[nH]c(C)n1)[C@@H]1CCNC1=O ZINC001480974553 892568655 /nfs/dbraw/zinc/56/86/55/892568655.db2.gz NXBQTDGBTZYRPM-SNVBAGLBSA-N 1 2 294.359 -1.018 20 0 CAADLO CC[N@@H+](CCNC(=O)Cc1n[nH]c(C)n1)[C@@H]1CCNC1=O ZINC001480974553 892568668 /nfs/dbraw/zinc/56/86/68/892568668.db2.gz NXBQTDGBTZYRPM-SNVBAGLBSA-N 1 2 294.359 -1.018 20 0 CAADLO CCNC(=O)C[N@H+](C)CCNC(=O)CCc1cn(C)nn1 ZINC001480955515 892569144 /nfs/dbraw/zinc/56/91/44/892569144.db2.gz MFOVGYKNTRPPAN-UHFFFAOYSA-N 1 2 296.375 -1.068 20 0 CAADLO CCNC(=O)C[N@@H+](C)CCNC(=O)CCc1cn(C)nn1 ZINC001480955515 892569153 /nfs/dbraw/zinc/56/91/53/892569153.db2.gz MFOVGYKNTRPPAN-UHFFFAOYSA-N 1 2 296.375 -1.068 20 0 CAADLO Cn1[nH]c(C[N@H+](C)CCNC(=O)CCCC(N)=O)nc1=O ZINC001480953167 892569610 /nfs/dbraw/zinc/56/96/10/892569610.db2.gz GQNKGRIZPYGIAH-UHFFFAOYSA-N 1 2 298.347 -1.688 20 0 CAADLO Cn1[nH]c(C[N@@H+](C)CCNC(=O)CCCC(N)=O)nc1=O ZINC001480953167 892569613 /nfs/dbraw/zinc/56/96/13/892569613.db2.gz GQNKGRIZPYGIAH-UHFFFAOYSA-N 1 2 298.347 -1.688 20 0 CAADLO CC[C@H](C)NC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)C(N)=O ZINC001481055565 892573931 /nfs/dbraw/zinc/57/39/31/892573931.db2.gz IQPZZCNKRIXKOG-VHSXEESVSA-N 1 2 284.360 -1.033 20 0 CAADLO CC[C@H](C)NC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)C(N)=O ZINC001481055565 892573942 /nfs/dbraw/zinc/57/39/42/892573942.db2.gz IQPZZCNKRIXKOG-VHSXEESVSA-N 1 2 284.360 -1.033 20 0 CAADLO CC(=O)NCC(=O)NC[C@@H]1CC[N@@H+](Cc2nncn2C)C1 ZINC001481075279 892575254 /nfs/dbraw/zinc/57/52/54/892575254.db2.gz BWEWBSJGJCBCJQ-NSHDSACASA-N 1 2 294.359 -1.111 20 0 CAADLO CC(=O)NCC(=O)NC[C@@H]1CC[N@H+](Cc2nncn2C)C1 ZINC001481075279 892575273 /nfs/dbraw/zinc/57/52/73/892575273.db2.gz BWEWBSJGJCBCJQ-NSHDSACASA-N 1 2 294.359 -1.111 20 0 CAADLO Cc1nnc(C[N@@H+]2CC[C@@H](CNC(=O)C(N)=O)C2)[nH]1 ZINC001481108122 892578364 /nfs/dbraw/zinc/57/83/64/892578364.db2.gz PLMKRPKXHOUOMK-QMMMGPOBSA-N 1 2 266.305 -1.463 20 0 CAADLO Cc1nnc(C[N@H+]2CC[C@@H](CNC(=O)C(N)=O)C2)[nH]1 ZINC001481108122 892578374 /nfs/dbraw/zinc/57/83/74/892578374.db2.gz PLMKRPKXHOUOMK-QMMMGPOBSA-N 1 2 266.305 -1.463 20 0 CAADLO Cc1nnc(C[N@@H+]2CC[C@H](CNC(=O)C(N)=O)C2)[nH]1 ZINC001481108121 892580068 /nfs/dbraw/zinc/58/00/68/892580068.db2.gz PLMKRPKXHOUOMK-MRVPVSSYSA-N 1 2 266.305 -1.463 20 0 CAADLO Cc1nnc(C[N@H+]2CC[C@H](CNC(=O)C(N)=O)C2)[nH]1 ZINC001481108121 892580074 /nfs/dbraw/zinc/58/00/74/892580074.db2.gz PLMKRPKXHOUOMK-MRVPVSSYSA-N 1 2 266.305 -1.463 20 0 CAADLO CN(CC[NH2+]Cc1cnon1)C(=O)[C@H]1CCC(=O)N1 ZINC001481214086 892582332 /nfs/dbraw/zinc/58/23/32/892582332.db2.gz PKTNQMKQNZWAFR-SECBINFHSA-N 1 2 267.289 -1.104 20 0 CAADLO CN(CC[NH2+]Cc1nc(=O)n(C)[nH]1)C(=O)[C@H]1COCCO1 ZINC001481208746 892582436 /nfs/dbraw/zinc/58/24/36/892582436.db2.gz HAIAHQJXXPITRH-SECBINFHSA-N 1 2 299.331 -1.928 20 0 CAADLO CN(CC[NH2+]Cc1cnon1)C(=O)[C@H]1COC(=O)N1 ZINC001481225174 892586520 /nfs/dbraw/zinc/58/65/20/892586520.db2.gz KAVNTDHBCLMQOH-MRVPVSSYSA-N 1 2 269.261 -1.274 20 0 CAADLO CCc1nnc(C[NH2+]CCN(C)C(=O)[C@H]2CNC(=O)N2)o1 ZINC001481274426 892594786 /nfs/dbraw/zinc/59/47/86/892594786.db2.gz QXPVKVFCCNKVAS-MRVPVSSYSA-N 1 2 296.331 -1.139 20 0 CAADLO CC(C)c1nnc(C[NH2+]CCN(C)C(=O)C(N)=O)[nH]1 ZINC001481273623 892595146 /nfs/dbraw/zinc/59/51/46/892595146.db2.gz YNYHZUXKOIRTLD-UHFFFAOYSA-N 1 2 268.321 -1.039 20 0 CAADLO CC(=O)NCC(=O)N(C)CC[NH+]1CCN(CC(N)=O)CC1 ZINC001481465934 892600872 /nfs/dbraw/zinc/60/08/72/892600872.db2.gz VBOFEKQCSDVLHM-UHFFFAOYSA-N 1 2 299.375 -2.316 20 0 CAADLO CNC(=O)NC(=O)C[N@@H+]1CCC[C@H](NC(=O)CC(N)=O)C1 ZINC001481533186 892601215 /nfs/dbraw/zinc/60/12/15/892601215.db2.gz HIEXZSWERNYZRR-QMMMGPOBSA-N 1 2 299.331 -2.102 20 0 CAADLO CNC(=O)NC(=O)C[N@H+]1CCC[C@H](NC(=O)CC(N)=O)C1 ZINC001481533186 892601220 /nfs/dbraw/zinc/60/12/20/892601220.db2.gz HIEXZSWERNYZRR-QMMMGPOBSA-N 1 2 299.331 -2.102 20 0 CAADLO COC[C@@H](OC)C(=O)N[C@@H]1CCC[N@H+](CC(N)=O)C1 ZINC001481528667 892601604 /nfs/dbraw/zinc/60/16/04/892601604.db2.gz WHSZTPKNGPBBFQ-NXEZZACHSA-N 1 2 273.333 -1.286 20 0 CAADLO COC[C@@H](OC)C(=O)N[C@@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001481528667 892601613 /nfs/dbraw/zinc/60/16/13/892601613.db2.gz WHSZTPKNGPBBFQ-NXEZZACHSA-N 1 2 273.333 -1.286 20 0 CAADLO COC[C@H](O)C[NH+]1CC(NC(=O)[C@H]2COCCO2)C1 ZINC001481544448 892603751 /nfs/dbraw/zinc/60/37/51/892603751.db2.gz MXSXLEMFDQPWRI-GHMZBOCLSA-N 1 2 274.317 -1.791 20 0 CAADLO C[C@H](O)C[NH+]1CC(NC(=O)CCn2cncn2)C1 ZINC001481542969 892604196 /nfs/dbraw/zinc/60/41/96/892604196.db2.gz CQCNDNYUMDNLHP-VIFPVBQESA-N 1 2 253.306 -1.151 20 0 CAADLO COC[C@H](O)C[NH+]1CC(NC(=O)[C@@H]2COCCO2)C1 ZINC001481544449 892604753 /nfs/dbraw/zinc/60/47/53/892604753.db2.gz MXSXLEMFDQPWRI-MNOVXSKESA-N 1 2 274.317 -1.791 20 0 CAADLO C[C@@H](O)C[NH+]1CC(NC(=O)CCn2cncn2)C1 ZINC001481542954 892605259 /nfs/dbraw/zinc/60/52/59/892605259.db2.gz CQCNDNYUMDNLHP-SECBINFHSA-N 1 2 253.306 -1.151 20 0 CAADLO CN(CC(=O)NC1C[NH+](CCO)C1)S(C)(=O)=O ZINC001481563213 892607317 /nfs/dbraw/zinc/60/73/17/892607317.db2.gz MZMBENYPMLOERD-UHFFFAOYSA-N 1 2 265.335 -2.330 20 0 CAADLO CCOCC[NH+]1CC(NC(=O)CN(C)C(=O)COC)C1 ZINC001481562977 892607498 /nfs/dbraw/zinc/60/74/98/892607498.db2.gz ZVTGYCMAGUASSK-UHFFFAOYSA-N 1 2 287.360 -1.072 20 0 CAADLO CNS(=O)(=O)CCC(=O)NC1C[NH+](C[C@@H](C)O)C1 ZINC001481558535 892607743 /nfs/dbraw/zinc/60/77/43/892607743.db2.gz GULCREOJCPROEM-MRVPVSSYSA-N 1 2 279.362 -1.893 20 0 CAADLO NC(=O)[C@H]1CC[C@H]1C(=O)NC1C[NH+](CCOCCO)C1 ZINC001481573589 892609816 /nfs/dbraw/zinc/60/98/16/892609816.db2.gz DCONZPBOSVQZIW-WDEREUQCSA-N 1 2 285.344 -1.693 20 0 CAADLO COC[C@H](O)C[NH+]1CC(NC(=O)[C@]2(C)CCC(=O)NC2)C1 ZINC001481578798 892609881 /nfs/dbraw/zinc/60/98/81/892609881.db2.gz KPFFVOVYXGFVJG-BXUZGUMPSA-N 1 2 299.371 -1.290 20 0 CAADLO NC(=O)[C@H]1CC[C@@H]1C(=O)NC1C[NH+](CCOCCO)C1 ZINC001481573588 892610888 /nfs/dbraw/zinc/61/08/88/892610888.db2.gz DCONZPBOSVQZIW-QWRGUYRKSA-N 1 2 285.344 -1.693 20 0 CAADLO Cn1cc(C(=O)NC2C[NH+](CCOCCO)C2)ccc1=O ZINC001481569209 892610984 /nfs/dbraw/zinc/61/09/84/892610984.db2.gz SHRVMIICZMCHAV-UHFFFAOYSA-N 1 2 295.339 -1.192 20 0 CAADLO CNC(=O)NC(=O)[C@@H](C)[NH+]1CC(CNC(C)=O)C1 ZINC001481608946 892612846 /nfs/dbraw/zinc/61/28/46/892612846.db2.gz NUTUPPCBHRZNSQ-SSDOTTSWSA-N 1 2 256.306 -1.102 20 0 CAADLO CCNC(=O)C[NH+]1CC(CNC(=O)[C@H]2CC(=O)N(C)C2)C1 ZINC001481627738 892612886 /nfs/dbraw/zinc/61/28/86/892612886.db2.gz GKVCMWOPVBLMGF-NSHDSACASA-N 1 2 296.371 -1.351 20 0 CAADLO COc1ccc(C[NH+]2CC(CNC(=O)CC(N)=O)C2)nn1 ZINC001481619422 892613135 /nfs/dbraw/zinc/61/31/35/892613135.db2.gz VGVLGSZSLNLNHL-UHFFFAOYSA-N 1 2 293.327 -1.091 20 0 CAADLO CNC(=O)[C@@H](C)[NH+]1CC(CNC(=O)Cc2nnc(C)[nH]2)C1 ZINC001481625187 892613272 /nfs/dbraw/zinc/61/32/72/892613272.db2.gz VAWXBOKJQTWAJI-MRVPVSSYSA-N 1 2 294.359 -1.162 20 0 CAADLO CCNC(=O)C[NH+]1CC(CNC(=O)c2cn(C)nn2)C1 ZINC001481623486 892613725 /nfs/dbraw/zinc/61/37/25/892613725.db2.gz RLANHJSPQSWTAR-UHFFFAOYSA-N 1 2 280.332 -1.387 20 0 CAADLO C[C@@H](C(N)=O)[NH+]1CC(CNC(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001481630448 892613777 /nfs/dbraw/zinc/61/37/77/892613777.db2.gz JGPOQLAUJPERMJ-XPUUQOCRSA-N 1 2 297.315 -2.494 20 0 CAADLO CC(=O)N[C@H](C)C(=O)NCC1C[NH+]([C@H]2CCNC2=O)C1 ZINC001481610245 892613845 /nfs/dbraw/zinc/61/38/45/892613845.db2.gz GXRKVLWCIVXICO-KCJUWKMLSA-N 1 2 282.344 -1.553 20 0 CAADLO COc1cncc(C[NH+]2CC(CNC(=O)CC(N)=O)C2)n1 ZINC001481618805 892613875 /nfs/dbraw/zinc/61/38/75/892613875.db2.gz MNXDVCWJCCJSSB-UHFFFAOYSA-N 1 2 293.327 -1.091 20 0 CAADLO COCC(=O)NCC1C[NH+](CC(=O)NC[C@H]2CCOC2)C1 ZINC001481609246 892613983 /nfs/dbraw/zinc/61/39/83/892613983.db2.gz WRDDADUZFLPOLM-LLVKDONJSA-N 1 2 299.371 -1.167 20 0 CAADLO CCNC(=O)C[NH+]1CC(CNC(=O)CCc2nnc[nH]2)C1 ZINC001481620239 892614376 /nfs/dbraw/zinc/61/43/76/892614376.db2.gz RAPXIEKDCTWQJS-UHFFFAOYSA-N 1 2 294.359 -1.079 20 0 CAADLO CC(=O)N[C@@H](C)C(=O)NCC1C[NH+]([C@H]2CCNC2=O)C1 ZINC001481610246 892614454 /nfs/dbraw/zinc/61/44/54/892614454.db2.gz GXRKVLWCIVXICO-KWQFWETISA-N 1 2 282.344 -1.553 20 0 CAADLO CCCNC(=O)C[NH+]1CC(CNC(=O)[C@@H]2COC(=O)N2)C1 ZINC001481622976 892614504 /nfs/dbraw/zinc/61/45/04/892614504.db2.gz HYDRARINHPBTIT-JTQLQIEISA-N 1 2 298.343 -1.331 20 0 CAADLO CNC(=O)C[NH+]1CC(CNC(=O)[C@H](O)C(C)C)C1 ZINC001481623550 892615204 /nfs/dbraw/zinc/61/52/04/892615204.db2.gz UDOJVABAPPAZCA-LLVKDONJSA-N 1 2 257.334 -1.203 20 0 CAADLO CCC[C@@H](NC(N)=O)C(=O)NCC1C[NH+]([C@@H](C)C(N)=O)C1 ZINC001481656017 892616340 /nfs/dbraw/zinc/61/63/40/892616340.db2.gz MMDGYHLPOOWLAI-WCBMZHEXSA-N 1 2 299.375 -1.255 20 0 CAADLO CC(=O)NCC(=O)NCC(=O)NCC1C[NH+](CCF)C1 ZINC001481631617 892616707 /nfs/dbraw/zinc/61/67/07/892616707.db2.gz HNPLRHBQKOHKGF-UHFFFAOYSA-N 1 2 288.323 -1.744 20 0 CAADLO C[C@@]1(C(=O)NCC2C[NH+](CC(N)=O)C2)CCNC1=O ZINC001481644604 892616771 /nfs/dbraw/zinc/61/67/71/892616771.db2.gz PAIDLRIMJOSVKN-GFCCVEGCSA-N 1 2 268.317 -1.954 20 0 CAADLO CNC(=O)C[NH+]1CC(CNC(=O)CN2C(=O)CCC2=O)C1 ZINC001481658454 892617053 /nfs/dbraw/zinc/61/70/53/892617053.db2.gz CCWROZFINPDCNV-UHFFFAOYSA-N 1 2 296.327 -2.071 20 0 CAADLO O=C(Cn1ccc(=O)[nH]c1=O)NCC1C[NH+](CCF)C1 ZINC001481634078 892617257 /nfs/dbraw/zinc/61/72/57/892617257.db2.gz MZNCCRFJGUOWRC-UHFFFAOYSA-N 1 2 284.291 -1.034 20 0 CAADLO CNS(=O)(=O)NCC(=O)NCC1C[NH+](CCF)C1 ZINC001481636794 892617349 /nfs/dbraw/zinc/61/73/49/892617349.db2.gz OAJLNZVRXGUICR-UHFFFAOYSA-N 1 2 282.341 -1.942 20 0 CAADLO CCNC(=O)C[NH+]1CC(CNC(=O)[C@H](COC)OC)C1 ZINC001481645604 892617805 /nfs/dbraw/zinc/61/78/05/892617805.db2.gz RSWQNRMWFIAHMV-NSHDSACASA-N 1 2 287.360 -1.168 20 0 CAADLO CNS(=O)(=O)CC(=O)NCC1C[NH+]([C@@H](C)C(N)=O)C1 ZINC001481658655 892618148 /nfs/dbraw/zinc/61/81/48/892618148.db2.gz PHEYZKHEMUDSLK-ZETCQYMHSA-N 1 2 292.361 -2.543 20 0 CAADLO C[C@]1(C(=O)NCC2C[NH+](CC(N)=O)C2)CCNC1=O ZINC001481644605 892618291 /nfs/dbraw/zinc/61/82/91/892618291.db2.gz PAIDLRIMJOSVKN-LBPRGKRZSA-N 1 2 268.317 -1.954 20 0 CAADLO CNS(=O)(=O)CC(=O)NCC1C[NH+]([C@H](C)C(N)=O)C1 ZINC001481658646 892618358 /nfs/dbraw/zinc/61/83/58/892618358.db2.gz PHEYZKHEMUDSLK-SSDOTTSWSA-N 1 2 292.361 -2.543 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)COCCCOC)C1 ZINC001481695186 892619727 /nfs/dbraw/zinc/61/97/27/892619727.db2.gz XGMYBZQCDJEYAH-NSHDSACASA-N 1 2 287.360 -1.024 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)COCCCOC)C1 ZINC001481695186 892619730 /nfs/dbraw/zinc/61/97/30/892619730.db2.gz XGMYBZQCDJEYAH-NSHDSACASA-N 1 2 287.360 -1.024 20 0 CAADLO CC(C)(C)[C@@H](NC(N)=O)C(=O)N[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001481695220 892620743 /nfs/dbraw/zinc/62/07/43/892620743.db2.gz ICDVJNKEGCLZIK-WPRPVWTQSA-N 1 2 299.375 -1.255 20 0 CAADLO CC(C)(C)[C@@H](NC(N)=O)C(=O)N[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001481695220 892620748 /nfs/dbraw/zinc/62/07/48/892620748.db2.gz ICDVJNKEGCLZIK-WPRPVWTQSA-N 1 2 299.375 -1.255 20 0 CAADLO CNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@H](NC(=O)COC)C1 ZINC001481683836 892621163 /nfs/dbraw/zinc/62/11/63/892621163.db2.gz CBSLRWKWUSGLHN-IUCAKERBSA-N 1 2 286.332 -1.333 20 0 CAADLO CNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@H](NC(=O)COC)C1 ZINC001481683836 892621167 /nfs/dbraw/zinc/62/11/67/892621167.db2.gz CBSLRWKWUSGLHN-IUCAKERBSA-N 1 2 286.332 -1.333 20 0 CAADLO CNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@H](NC(=O)COC)C1 ZINC001481683834 892621332 /nfs/dbraw/zinc/62/13/32/892621332.db2.gz CBSLRWKWUSGLHN-BDAKNGLRSA-N 1 2 286.332 -1.333 20 0 CAADLO CNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@H](NC(=O)COC)C1 ZINC001481683834 892621342 /nfs/dbraw/zinc/62/13/42/892621342.db2.gz CBSLRWKWUSGLHN-BDAKNGLRSA-N 1 2 286.332 -1.333 20 0 CAADLO CC[C@@H](OC)C(=O)N[C@@H]1CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001481699406 892621640 /nfs/dbraw/zinc/62/16/40/892621640.db2.gz VXTQPMXPQKKMJS-RKDXNWHRSA-N 1 2 286.332 -1.203 20 0 CAADLO CC[C@@H](OC)C(=O)N[C@@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001481699406 892621644 /nfs/dbraw/zinc/62/16/44/892621644.db2.gz VXTQPMXPQKKMJS-RKDXNWHRSA-N 1 2 286.332 -1.203 20 0 CAADLO CCN(C(=O)COC)[C@@H]1CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001481757068 892623218 /nfs/dbraw/zinc/62/32/18/892623218.db2.gz UZMHRQIXCYCJRS-SECBINFHSA-N 1 2 286.332 -1.250 20 0 CAADLO CCN(C(=O)COC)[C@@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001481757068 892623224 /nfs/dbraw/zinc/62/32/24/892623224.db2.gz UZMHRQIXCYCJRS-SECBINFHSA-N 1 2 286.332 -1.250 20 0 CAADLO C[C@H](O)C[N@@H+]1CC[C@@H](N(C)C(=O)CS(C)(=O)=O)C1 ZINC001481715919 892623351 /nfs/dbraw/zinc/62/33/51/892623351.db2.gz BYHFLOGLZAADJO-VHSXEESVSA-N 1 2 278.374 -1.056 20 0 CAADLO C[C@H](O)C[N@H+]1CC[C@@H](N(C)C(=O)CS(C)(=O)=O)C1 ZINC001481715919 892623355 /nfs/dbraw/zinc/62/33/55/892623355.db2.gz BYHFLOGLZAADJO-VHSXEESVSA-N 1 2 278.374 -1.056 20 0 CAADLO CCN(C)C(=O)C[N@@H+]1CC[C@H](N(C)C(=O)C(N)=O)C1 ZINC001481739777 892623950 /nfs/dbraw/zinc/62/39/50/892623950.db2.gz FCZVLZLOCPVOKG-VIFPVBQESA-N 1 2 270.333 -1.517 20 0 CAADLO CCN(C)C(=O)C[N@H+]1CC[C@H](N(C)C(=O)C(N)=O)C1 ZINC001481739777 892623955 /nfs/dbraw/zinc/62/39/55/892623955.db2.gz FCZVLZLOCPVOKG-VIFPVBQESA-N 1 2 270.333 -1.517 20 0 CAADLO CC(C)N(C)C(=O)C[N@@H+]1CC[C@H](N(C)C(=O)C(N)=O)C1 ZINC001481738805 892624193 /nfs/dbraw/zinc/62/41/93/892624193.db2.gz PTIAXBLOFCOWJI-JTQLQIEISA-N 1 2 284.360 -1.129 20 0 CAADLO CC(C)N(C)C(=O)C[N@H+]1CC[C@H](N(C)C(=O)C(N)=O)C1 ZINC001481738805 892624204 /nfs/dbraw/zinc/62/42/04/892624204.db2.gz PTIAXBLOFCOWJI-JTQLQIEISA-N 1 2 284.360 -1.129 20 0 CAADLO CCN(C)C(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)C(N)=O)C1 ZINC001481739776 892625226 /nfs/dbraw/zinc/62/52/26/892625226.db2.gz FCZVLZLOCPVOKG-SECBINFHSA-N 1 2 270.333 -1.517 20 0 CAADLO CCN(C)C(=O)C[N@H+]1CC[C@@H](N(C)C(=O)C(N)=O)C1 ZINC001481739776 892625232 /nfs/dbraw/zinc/62/52/32/892625232.db2.gz FCZVLZLOCPVOKG-SECBINFHSA-N 1 2 270.333 -1.517 20 0 CAADLO C[C@H](O)C[N@@H+]1CC[C@H](N(C)C(=O)CS(C)(=O)=O)C1 ZINC001481715918 892625560 /nfs/dbraw/zinc/62/55/60/892625560.db2.gz BYHFLOGLZAADJO-UWVGGRQHSA-N 1 2 278.374 -1.056 20 0 CAADLO C[C@H](O)C[N@H+]1CC[C@H](N(C)C(=O)CS(C)(=O)=O)C1 ZINC001481715918 892625563 /nfs/dbraw/zinc/62/55/63/892625563.db2.gz BYHFLOGLZAADJO-UWVGGRQHSA-N 1 2 278.374 -1.056 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NCC2CC2)C1 ZINC001481743780 892625686 /nfs/dbraw/zinc/62/56/86/892625686.db2.gz QEZIEVDXFHIZSU-NSHDSACASA-N 1 2 296.371 -1.209 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](N(C)C(=O)C(=O)NCC2CC2)C1 ZINC001481743780 892625689 /nfs/dbraw/zinc/62/56/89/892625689.db2.gz QEZIEVDXFHIZSU-NSHDSACASA-N 1 2 296.371 -1.209 20 0 CAADLO CCN(C(=O)[C@@H](C)CC(N)=O)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001481771472 892625707 /nfs/dbraw/zinc/62/57/07/892625707.db2.gz NJYSVTHSCJOSBD-VHSXEESVSA-N 1 2 284.360 -1.094 20 0 CAADLO CCN(C(=O)[C@@H](C)CC(N)=O)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001481771472 892625710 /nfs/dbraw/zinc/62/57/10/892625710.db2.gz NJYSVTHSCJOSBD-VHSXEESVSA-N 1 2 284.360 -1.094 20 0 CAADLO CC(C)CNC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)C(N)=O)C1 ZINC001481739363 892625742 /nfs/dbraw/zinc/62/57/42/892625742.db2.gz WKVHRHFPXRAGDP-SNVBAGLBSA-N 1 2 284.360 -1.223 20 0 CAADLO CC(C)CNC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)C(N)=O)C1 ZINC001481739363 892625745 /nfs/dbraw/zinc/62/57/45/892625745.db2.gz WKVHRHFPXRAGDP-SNVBAGLBSA-N 1 2 284.360 -1.223 20 0 CAADLO CC[C@@H](CNC(=O)c1cn(C)nn1)[NH2+]Cc1nnn(C)n1 ZINC001481808227 892627521 /nfs/dbraw/zinc/62/75/21/892627521.db2.gz STINYXPLRFMUDS-QMMMGPOBSA-N 1 2 293.335 -1.363 20 0 CAADLO CC[C@@H](CNC(=O)[C@H]1C[C@H]1C(N)=O)[NH2+]Cc1nnn(C)n1 ZINC001481851967 892631971 /nfs/dbraw/zinc/63/19/71/892631971.db2.gz LIEAPMVILCZDGA-YIZRAAEISA-N 1 2 295.347 -1.684 20 0 CAADLO CC(C)(C(N)=O)C(=O)NC[C@H]1C[N@H+](CCO)CCO1 ZINC001482189299 892638630 /nfs/dbraw/zinc/63/86/30/892638630.db2.gz DIXURUSUOADCNM-VIFPVBQESA-N 1 2 273.333 -1.693 20 0 CAADLO CC(C)(C(N)=O)C(=O)NC[C@H]1C[N@@H+](CCO)CCO1 ZINC001482189299 892638634 /nfs/dbraw/zinc/63/86/34/892638634.db2.gz DIXURUSUOADCNM-VIFPVBQESA-N 1 2 273.333 -1.693 20 0 CAADLO C[C@@H](CNC(=O)Cc1nc[nH]n1)C[NH2+]Cc1nnn(C)n1 ZINC001482157348 892639108 /nfs/dbraw/zinc/63/91/08/892639108.db2.gz HCGFONYRXWBANU-MRVPVSSYSA-N 1 2 293.335 -1.587 20 0 CAADLO CN(CC(=O)NC[C@@H]1C[N@H+](CCO)CCO1)C(=O)C1CC1 ZINC001482189674 892639161 /nfs/dbraw/zinc/63/91/61/892639161.db2.gz SYYJRHIRPUVUDM-GFCCVEGCSA-N 1 2 299.371 -1.336 20 0 CAADLO CN(CC(=O)NC[C@@H]1C[N@@H+](CCO)CCO1)C(=O)C1CC1 ZINC001482189674 892639166 /nfs/dbraw/zinc/63/91/66/892639166.db2.gz SYYJRHIRPUVUDM-GFCCVEGCSA-N 1 2 299.371 -1.336 20 0 CAADLO O=C(C[C@H]1CCNC1=O)NC[C@@H]1C[N@H+](CCO)CCO1 ZINC001482189376 892639176 /nfs/dbraw/zinc/63/91/76/892639176.db2.gz RKTVNNHUFOCKFS-GHMZBOCLSA-N 1 2 285.344 -1.678 20 0 CAADLO O=C(C[C@H]1CCNC1=O)NC[C@@H]1C[N@@H+](CCO)CCO1 ZINC001482189376 892639181 /nfs/dbraw/zinc/63/91/81/892639181.db2.gz RKTVNNHUFOCKFS-GHMZBOCLSA-N 1 2 285.344 -1.678 20 0 CAADLO CC(C)(C(N)=O)C(=O)NC[C@@H]1C[N@H+](CCO)CCO1 ZINC001482189298 892640156 /nfs/dbraw/zinc/64/01/56/892640156.db2.gz DIXURUSUOADCNM-SECBINFHSA-N 1 2 273.333 -1.693 20 0 CAADLO CC(C)(C(N)=O)C(=O)NC[C@@H]1C[N@@H+](CCO)CCO1 ZINC001482189298 892640158 /nfs/dbraw/zinc/64/01/58/892640158.db2.gz DIXURUSUOADCNM-SECBINFHSA-N 1 2 273.333 -1.693 20 0 CAADLO NC(=O)CN1CCO[C@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001482210481 892642036 /nfs/dbraw/zinc/64/20/36/892642036.db2.gz VKBLVQPWZFWMGY-SNVBAGLBSA-N 1 2 281.316 -1.815 20 0 CAADLO COC[C@H](OC)C(=O)NC[C@H]1C[N@H+](CCO)CCO1 ZINC001482199726 892642186 /nfs/dbraw/zinc/64/21/86/892642186.db2.gz NHJCWUXFLZBOKN-QWRGUYRKSA-N 1 2 276.333 -1.543 20 0 CAADLO COC[C@H](OC)C(=O)NC[C@H]1C[N@@H+](CCO)CCO1 ZINC001482199726 892642191 /nfs/dbraw/zinc/64/21/91/892642191.db2.gz NHJCWUXFLZBOKN-QWRGUYRKSA-N 1 2 276.333 -1.543 20 0 CAADLO COCC[N@@H+]1CCO[C@@H](CNC(=O)[C@@]2(C)CCNC2=O)C1 ZINC001482200187 892642928 /nfs/dbraw/zinc/64/29/28/892642928.db2.gz RNCLWHRSHWULIN-FZMZJTMJSA-N 1 2 299.371 -1.024 20 0 CAADLO COCC[N@H+]1CCO[C@@H](CNC(=O)[C@@]2(C)CCNC2=O)C1 ZINC001482200187 892642933 /nfs/dbraw/zinc/64/29/33/892642933.db2.gz RNCLWHRSHWULIN-FZMZJTMJSA-N 1 2 299.371 -1.024 20 0 CAADLO COCC[N@@H+]1CCO[C@@H](CNC(=O)Cc2nc[nH]n2)C1 ZINC001482204247 892642985 /nfs/dbraw/zinc/64/29/85/892642985.db2.gz YWSBYKCFQHLEHT-JTQLQIEISA-N 1 2 283.332 -1.189 20 0 CAADLO COCC[N@H+]1CCO[C@@H](CNC(=O)Cc2nc[nH]n2)C1 ZINC001482204247 892642991 /nfs/dbraw/zinc/64/29/91/892642991.db2.gz YWSBYKCFQHLEHT-JTQLQIEISA-N 1 2 283.332 -1.189 20 0 CAADLO O=C(Cn1ncnn1)NC[C@H]1C[N@H+](CCO)CCO1 ZINC001482193104 892643329 /nfs/dbraw/zinc/64/33/29/892643329.db2.gz SHDYRUDCNDJCRM-VIFPVBQESA-N 1 2 270.293 -2.518 20 0 CAADLO O=C(Cn1ncnn1)NC[C@H]1C[N@@H+](CCO)CCO1 ZINC001482193104 892643334 /nfs/dbraw/zinc/64/33/34/892643334.db2.gz SHDYRUDCNDJCRM-VIFPVBQESA-N 1 2 270.293 -2.518 20 0 CAADLO COC[C@H](OC)C(=O)NC[C@@H]1C[N@H+](CCO)CCO1 ZINC001482199724 892643499 /nfs/dbraw/zinc/64/34/99/892643499.db2.gz NHJCWUXFLZBOKN-MNOVXSKESA-N 1 2 276.333 -1.543 20 0 CAADLO COC[C@H](OC)C(=O)NC[C@@H]1C[N@@H+](CCO)CCO1 ZINC001482199724 892643502 /nfs/dbraw/zinc/64/35/02/892643502.db2.gz NHJCWUXFLZBOKN-MNOVXSKESA-N 1 2 276.333 -1.543 20 0 CAADLO O=C(Cc1ncc[nH]1)NC[C@@H]1C[N@H+](CCO)CCO1 ZINC001482201829 892643641 /nfs/dbraw/zinc/64/36/41/892643641.db2.gz FIXAKWIGUMXDQM-SNVBAGLBSA-N 1 2 268.317 -1.239 20 0 CAADLO O=C(Cc1ncc[nH]1)NC[C@@H]1C[N@@H+](CCO)CCO1 ZINC001482201829 892643648 /nfs/dbraw/zinc/64/36/48/892643648.db2.gz FIXAKWIGUMXDQM-SNVBAGLBSA-N 1 2 268.317 -1.239 20 0 CAADLO CCCn1nnnc1C[NH2+]C[C@H](C)N(C)C(=O)C(N)=O ZINC001482326146 892645318 /nfs/dbraw/zinc/64/53/18/892645318.db2.gz KBRDXRMHOKFQFG-QMMMGPOBSA-N 1 2 283.336 -1.495 20 0 CAADLO Cc1nonc1C[NH2+]C[C@@H](C)N(C)C(=O)C(N)=O ZINC001482326418 892646581 /nfs/dbraw/zinc/64/65/81/892646581.db2.gz SCXFGBLIRRMNPY-ZCFIWIBFSA-N 1 2 255.278 -1.200 20 0 CAADLO CNC(=O)C[N@H+](C)CCN(C)C(=O)[C@@H]1CCN(C)C(=O)C1 ZINC001482607359 892651443 /nfs/dbraw/zinc/65/14/43/892651443.db2.gz MENFRBSIHSOPDF-LLVKDONJSA-N 1 2 298.387 -1.009 20 0 CAADLO CNC(=O)C[N@@H+](C)CCN(C)C(=O)[C@@H]1CCN(C)C(=O)C1 ZINC001482607359 892651449 /nfs/dbraw/zinc/65/14/49/892651449.db2.gz MENFRBSIHSOPDF-LLVKDONJSA-N 1 2 298.387 -1.009 20 0 CAADLO CNC(=O)C[N@H+](C)CCN(C)C(=O)[C@@H]1CCNC(=O)C1 ZINC001482590087 892651519 /nfs/dbraw/zinc/65/15/19/892651519.db2.gz KMCUKWLVFAGQJS-SNVBAGLBSA-N 1 2 284.360 -1.351 20 0 CAADLO CNC(=O)C[N@@H+](C)CCN(C)C(=O)[C@@H]1CCNC(=O)C1 ZINC001482590087 892651527 /nfs/dbraw/zinc/65/15/27/892651527.db2.gz KMCUKWLVFAGQJS-SNVBAGLBSA-N 1 2 284.360 -1.351 20 0 CAADLO CN(CC[N@H+](C)CC(=O)NC1CC1)C(=O)[C@H]1COC(=O)N1 ZINC001482593358 892651835 /nfs/dbraw/zinc/65/18/35/892651835.db2.gz IJKHIFRYFOHJPX-SNVBAGLBSA-N 1 2 298.343 -1.236 20 0 CAADLO CN(CC[N@@H+](C)CC(=O)NC1CC1)C(=O)[C@H]1COC(=O)N1 ZINC001482593358 892651843 /nfs/dbraw/zinc/65/18/43/892651843.db2.gz IJKHIFRYFOHJPX-SNVBAGLBSA-N 1 2 298.343 -1.236 20 0 CAADLO CN(CC[N@H+](C)CC(N)=O)C(=O)c1cn2c(n1)COCC2 ZINC001482606923 892652560 /nfs/dbraw/zinc/65/25/60/892652560.db2.gz ZETWMNIDQTWYGH-UHFFFAOYSA-N 1 2 295.343 -1.098 20 0 CAADLO CN(CC[N@@H+](C)CC(N)=O)C(=O)c1cn2c(n1)COCC2 ZINC001482606923 892652566 /nfs/dbraw/zinc/65/25/66/892652566.db2.gz ZETWMNIDQTWYGH-UHFFFAOYSA-N 1 2 295.343 -1.098 20 0 CAADLO CNC(=O)C[N@H+](C)CCN(C)C(=O)[C@H]1CCN(C)C(=O)C1 ZINC001482607360 892652583 /nfs/dbraw/zinc/65/25/83/892652583.db2.gz MENFRBSIHSOPDF-NSHDSACASA-N 1 2 298.387 -1.009 20 0 CAADLO CNC(=O)C[N@@H+](C)CCN(C)C(=O)[C@H]1CCN(C)C(=O)C1 ZINC001482607360 892652591 /nfs/dbraw/zinc/65/25/91/892652591.db2.gz MENFRBSIHSOPDF-NSHDSACASA-N 1 2 298.387 -1.009 20 0 CAADLO CN(CC[N@H+](C)CC(N)=O)C(=O)c1cncn1C ZINC001482610510 892653450 /nfs/dbraw/zinc/65/34/50/892653450.db2.gz DVOJJCNTLNGENU-UHFFFAOYSA-N 1 2 253.306 -1.091 20 0 CAADLO CN(CC[N@@H+](C)CC(N)=O)C(=O)c1cncn1C ZINC001482610510 892653463 /nfs/dbraw/zinc/65/34/63/892653463.db2.gz DVOJJCNTLNGENU-UHFFFAOYSA-N 1 2 253.306 -1.091 20 0 CAADLO CCNC(=O)C[N@H+](C)CCN(C)C(=O)[C@H]1CCNC1=O ZINC001482619274 892653695 /nfs/dbraw/zinc/65/36/95/892653695.db2.gz PYYNINMDVMRCJV-JTQLQIEISA-N 1 2 284.360 -1.351 20 0 CAADLO CCNC(=O)C[N@@H+](C)CCN(C)C(=O)[C@H]1CCNC1=O ZINC001482619274 892653705 /nfs/dbraw/zinc/65/37/05/892653705.db2.gz PYYNINMDVMRCJV-JTQLQIEISA-N 1 2 284.360 -1.351 20 0 CAADLO CNC(=O)C[N@H+](C)CCN(C)C(=O)CCNC(=O)NC ZINC001482593866 892653956 /nfs/dbraw/zinc/65/39/56/892653956.db2.gz HMXDCXPMRIZAHY-UHFFFAOYSA-N 1 2 287.364 -1.558 20 0 CAADLO CNC(=O)C[N@@H+](C)CCN(C)C(=O)CCNC(=O)NC ZINC001482593866 892653964 /nfs/dbraw/zinc/65/39/64/892653964.db2.gz HMXDCXPMRIZAHY-UHFFFAOYSA-N 1 2 287.364 -1.558 20 0 CAADLO CNC(=O)C[N@H+](C)CCN(C)C(=O)[C@H]1CCC(=O)NC1 ZINC001482607980 892654395 /nfs/dbraw/zinc/65/43/95/892654395.db2.gz MEZWXZUMCWLOST-JTQLQIEISA-N 1 2 284.360 -1.351 20 0 CAADLO CNC(=O)C[N@@H+](C)CCN(C)C(=O)[C@H]1CCC(=O)NC1 ZINC001482607980 892654399 /nfs/dbraw/zinc/65/43/99/892654399.db2.gz MEZWXZUMCWLOST-JTQLQIEISA-N 1 2 284.360 -1.351 20 0 CAADLO CCNC(=O)C[N@H+](C)CCN(C)C(=O)c1ncn(C)n1 ZINC001482594216 892654543 /nfs/dbraw/zinc/65/45/43/892654543.db2.gz PPHQKBOGGMFGKN-UHFFFAOYSA-N 1 2 282.348 -1.045 20 0 CAADLO CCNC(=O)C[N@@H+](C)CCN(C)C(=O)c1ncn(C)n1 ZINC001482594216 892654545 /nfs/dbraw/zinc/65/45/45/892654545.db2.gz PPHQKBOGGMFGKN-UHFFFAOYSA-N 1 2 282.348 -1.045 20 0 CAADLO CN(CC[N@H+](C)CC(N)=O)C(=O)c1cc(C(N)=O)ccn1 ZINC001482654626 892656596 /nfs/dbraw/zinc/65/65/96/892656596.db2.gz CJEUONVIWLFSDN-UHFFFAOYSA-N 1 2 293.327 -1.330 20 0 CAADLO CN(CC[N@@H+](C)CC(N)=O)C(=O)c1cc(C(N)=O)ccn1 ZINC001482654626 892656604 /nfs/dbraw/zinc/65/66/04/892656604.db2.gz CJEUONVIWLFSDN-UHFFFAOYSA-N 1 2 293.327 -1.330 20 0 CAADLO CN(CC[N@H+](C)Cc1cnnn1C)C(=O)CCNC(N)=O ZINC001482647137 892656671 /nfs/dbraw/zinc/65/66/71/892656671.db2.gz FRMJMCGTRPXYRI-UHFFFAOYSA-N 1 2 297.363 -1.236 20 0 CAADLO CN(CC[N@@H+](C)Cc1cnnn1C)C(=O)CCNC(N)=O ZINC001482647137 892656679 /nfs/dbraw/zinc/65/66/79/892656679.db2.gz FRMJMCGTRPXYRI-UHFFFAOYSA-N 1 2 297.363 -1.236 20 0 CAADLO CNC(=O)C[N@H+](C)CCN(C)C(=O)[C@@H]1CCC(=O)N1 ZINC001482644367 892657032 /nfs/dbraw/zinc/65/70/32/892657032.db2.gz SNPZDIKSOHXDPV-VIFPVBQESA-N 1 2 270.333 -1.599 20 0 CAADLO CNC(=O)C[N@@H+](C)CCN(C)C(=O)[C@@H]1CCC(=O)N1 ZINC001482644367 892657036 /nfs/dbraw/zinc/65/70/36/892657036.db2.gz SNPZDIKSOHXDPV-VIFPVBQESA-N 1 2 270.333 -1.599 20 0 CAADLO CN(CC[N@H+](C)CC(N)=O)C(=O)c1nc2ncccn2n1 ZINC001482636524 892657583 /nfs/dbraw/zinc/65/75/83/892657583.db2.gz YYSLMGUPLBKRJM-UHFFFAOYSA-N 1 2 291.315 -1.387 20 0 CAADLO CN(CC[N@@H+](C)CC(N)=O)C(=O)c1nc2ncccn2n1 ZINC001482636524 892657587 /nfs/dbraw/zinc/65/75/87/892657587.db2.gz YYSLMGUPLBKRJM-UHFFFAOYSA-N 1 2 291.315 -1.387 20 0 CAADLO CC(C)NC(=O)C[N@H+](C)CCN(C)C(=O)C(N)=O ZINC001482624243 892657679 /nfs/dbraw/zinc/65/76/79/892657679.db2.gz IYPFGISEBXXCFO-UHFFFAOYSA-N 1 2 258.322 -1.614 20 0 CAADLO CC(C)NC(=O)C[N@@H+](C)CCN(C)C(=O)C(N)=O ZINC001482624243 892657685 /nfs/dbraw/zinc/65/76/85/892657685.db2.gz IYPFGISEBXXCFO-UHFFFAOYSA-N 1 2 258.322 -1.614 20 0 CAADLO O=C(NC[C@@H](O)C[NH2+]Cc1csnn1)[C@H]1CCC(=O)N1 ZINC001482713420 892667522 /nfs/dbraw/zinc/66/75/22/892667522.db2.gz MYEZJTCCEANUHN-DTWKUNHWSA-N 1 2 299.356 -1.617 20 0 CAADLO O=C(NC[C@H](O)C[NH2+]Cc1csnn1)[C@H]1CCC(=O)N1 ZINC001482713421 892668582 /nfs/dbraw/zinc/66/85/82/892668582.db2.gz MYEZJTCCEANUHN-RKDXNWHRSA-N 1 2 299.356 -1.617 20 0 CAADLO Cc1noc(C[NH2+]C[C@H](O)CNC(=O)[C@H]2COC(=O)N2)n1 ZINC001482725266 892673357 /nfs/dbraw/zinc/67/33/57/892673357.db2.gz UFOGJWHOHQDWCM-JGVFFNPUSA-N 1 2 299.287 -1.947 20 0 CAADLO Cc1noc(C[NH2+]C[C@@H](O)CNC(=O)[C@]23C[C@H]2COC3)n1 ZINC001482731636 892681099 /nfs/dbraw/zinc/68/10/99/892681099.db2.gz XHHVEZSZEDDVCL-CWSCBRNRSA-N 1 2 296.327 -1.019 20 0 CAADLO CCn1cc(C[NH2+]C[C@@H](O)CNC(=O)c2cn[nH]n2)nn1 ZINC001482745318 892685189 /nfs/dbraw/zinc/68/51/89/892685189.db2.gz NOJRIWQAIGSDIU-SECBINFHSA-N 1 2 294.319 -1.703 20 0 CAADLO CCn1cc(C[NH2+]C[C@@H](O)CNC(=O)c2cnn[nH]2)nn1 ZINC001482745318 892685196 /nfs/dbraw/zinc/68/51/96/892685196.db2.gz NOJRIWQAIGSDIU-SECBINFHSA-N 1 2 294.319 -1.703 20 0 CAADLO Cc1conc1C[NH2+]C[C@H](O)CNC(=O)c1cn[nH]n1 ZINC001482745197 892685237 /nfs/dbraw/zinc/68/52/37/892685237.db2.gz LOROSVOFCUAJFV-QMMMGPOBSA-N 1 2 280.288 -1.018 20 0 CAADLO Cc1conc1C[NH2+]C[C@H](O)CNC(=O)c1cnn[nH]1 ZINC001482745197 892685242 /nfs/dbraw/zinc/68/52/42/892685242.db2.gz LOROSVOFCUAJFV-QMMMGPOBSA-N 1 2 280.288 -1.018 20 0 CAADLO Cc1nnc(C[NH2+]C[C@H](O)CNC(=O)[C@@H]2CCNC2=O)o1 ZINC001482758163 892689793 /nfs/dbraw/zinc/68/97/93/892689793.db2.gz XPLMVKWKVFDCNJ-DTWKUNHWSA-N 1 2 297.315 -1.919 20 0 CAADLO Cn1ncc(C(=O)NC[C@H](O)C[NH2+]Cc2cnsn2)n1 ZINC001482775038 892699383 /nfs/dbraw/zinc/69/93/83/892699383.db2.gz JTQVEHOEPJMCBN-MRVPVSSYSA-N 1 2 297.344 -1.453 20 0 CAADLO Cc1noc(C[NH2+]C[C@@H](O)CNC(=O)c2cnon2)n1 ZINC001482779596 892700528 /nfs/dbraw/zinc/70/05/28/892700528.db2.gz MWKUXIZAZOWXDO-SSDOTTSWSA-N 1 2 282.260 -1.358 20 0 CAADLO Cc1nnc(CNC[C@@H](O)CNC(=O)C[NH+]2CCCC2)[nH]1 ZINC001482791969 892704756 /nfs/dbraw/zinc/70/47/56/892704756.db2.gz FTOJCUWINLKWQB-LLVKDONJSA-N 1 2 296.375 -1.224 20 0 CAADLO CCN(CC[NH2+][C@@H](C)C(N)=O)C(=O)Cc1ncn[nH]1 ZINC001482961240 892717491 /nfs/dbraw/zinc/71/74/91/892717491.db2.gz CAWZKOKNDFBKNZ-QMMMGPOBSA-N 1 2 268.321 -1.341 20 0 CAADLO Cn1nnnc1C[NH2+]C/C=C\CNC(=O)[C@H]1COCCO1 ZINC001482981935 892717613 /nfs/dbraw/zinc/71/76/13/892717613.db2.gz UYSXVCAOIVRZJI-MXQLGCADSA-N 1 2 296.331 -1.613 20 0 CAADLO CCN(CC[NH2+]Cc1nc(=O)n(C)[nH]1)C(=O)c1cnon1 ZINC001482957174 892718241 /nfs/dbraw/zinc/71/82/41/892718241.db2.gz SBXHGSSVCMDLSQ-UHFFFAOYSA-N 1 2 295.303 -1.257 20 0 CAADLO CCN(CC[NH2+]Cc1cnn(C)n1)C(=O)C(N)=O ZINC001482949860 892719431 /nfs/dbraw/zinc/71/94/31/892719431.db2.gz UVTFARKYUDGCCH-UHFFFAOYSA-N 1 2 254.294 -1.762 20 0 CAADLO CCn1ncnc1C[NH2+]C/C=C\CNC(=O)CC(N)=O ZINC001482995421 892722765 /nfs/dbraw/zinc/72/27/65/892722765.db2.gz XCTDYKAPKWOCRT-ARJAWSKDSA-N 1 2 280.332 -1.065 20 0 CAADLO CCC(=O)NCC(=O)NC/C=C\C[NH2+]Cc1nnnn1C ZINC001482990929 892723193 /nfs/dbraw/zinc/72/31/93/892723193.db2.gz JZBWSOBIGVYJEU-PLNGDYQASA-N 1 2 295.347 -1.502 20 0 CAADLO Cn1nnnc1C[NH2+]C/C=C\CNC(=O)[C@H]1CCNC1=O ZINC001483045750 892724189 /nfs/dbraw/zinc/72/41/89/892724189.db2.gz YLOMZWQBMFGIDA-PKRMOACSSA-N 1 2 293.331 -1.892 20 0 CAADLO Cn1nnnc1C[NH2+]C/C=C/CNC(=O)[C@H]1CCNC1=O ZINC001483045744 892724336 /nfs/dbraw/zinc/72/43/36/892724336.db2.gz YLOMZWQBMFGIDA-GKQMSVHHSA-N 1 2 293.331 -1.892 20 0 CAADLO Cn1nnnc1C[NH2+]C/C=C/CNC(=O)[C@@H]1CCNC1=O ZINC001483045749 892724681 /nfs/dbraw/zinc/72/46/81/892724681.db2.gz YLOMZWQBMFGIDA-HPOULIHZSA-N 1 2 293.331 -1.892 20 0 CAADLO Cn1ncnc1C[NH2+]C/C=C/CNC(=O)C1(C(N)=O)CC1 ZINC001483052806 892726063 /nfs/dbraw/zinc/72/60/63/892726063.db2.gz UKWSVIPJSZZNLH-NSCUHMNNSA-N 1 2 292.343 -1.157 20 0 CAADLO Cn1ncnc1C[NH2+]C/C=C\CNC(=O)C1(C(N)=O)CC1 ZINC001483052805 892726210 /nfs/dbraw/zinc/72/62/10/892726210.db2.gz UKWSVIPJSZZNLH-IHWYPQMZSA-N 1 2 292.343 -1.157 20 0 CAADLO Cn1ncc(C[NH2+]C/C=C\CNC(=O)[C@@H]2CCC(=O)N2)n1 ZINC001483085561 892730142 /nfs/dbraw/zinc/73/01/42/892730142.db2.gz AMWRTSAAOPLNLI-QUCGXOGASA-N 1 2 292.343 -1.144 20 0 CAADLO C[C@H](C[NH2+]Cc1nc(N(C)C)no1)NC(=O)CC(N)=O ZINC001483116323 892732046 /nfs/dbraw/zinc/73/20/46/892732046.db2.gz JSTXHELGNFHYRO-SSDOTTSWSA-N 1 2 284.320 -1.395 20 0 CAADLO C[C@H](C[NH2+]Cc1ncnn1C)NC(=O)c1cn[nH]n1 ZINC001483144687 892735343 /nfs/dbraw/zinc/73/53/43/892735343.db2.gz QFOFKMYCOOJGOA-SSDOTTSWSA-N 1 2 264.293 -1.159 20 0 CAADLO C[C@H](C[NH2+]Cc1ncnn1C)NC(=O)c1cnn[nH]1 ZINC001483144687 892735352 /nfs/dbraw/zinc/73/53/52/892735352.db2.gz QFOFKMYCOOJGOA-SSDOTTSWSA-N 1 2 264.293 -1.159 20 0 CAADLO C[C@H](C[NH2+]Cc1cnsn1)NC(=O)c1nnn(C)n1 ZINC001483159887 892737876 /nfs/dbraw/zinc/73/78/76/892737876.db2.gz KRJWZRSFMBGLCK-ZCFIWIBFSA-N 1 2 282.333 -1.030 20 0 CAADLO Cc1nnc(C[NH2+]C[C@H](C)NC(=O)[C@@H]2CNC(=O)N2)o1 ZINC001483261116 892749025 /nfs/dbraw/zinc/74/90/25/892749025.db2.gz TYHOKXFUXVEFJD-XPUUQOCRSA-N 1 2 282.304 -1.346 20 0 CAADLO C[C@@H](C[NH2+]Cc1cc(=O)n2[nH]ccc2n1)NC(=O)C(N)=O ZINC001483262245 892751586 /nfs/dbraw/zinc/75/15/86/892751586.db2.gz LKWJQVYWXVIVLA-ZETCQYMHSA-N 1 2 292.299 -1.898 20 0 CAADLO C[C@@H](C[NH2+]Cc1noc2c1COCC2)NC(=O)C(N)=O ZINC001483261867 892752598 /nfs/dbraw/zinc/75/25/98/892752598.db2.gz AWJRSDBEUOAPLJ-ZETCQYMHSA-N 1 2 282.300 -1.173 20 0 CAADLO CCS(=O)(=O)CCC[N@H+](C)C[C@H](C)NC(=O)C(N)=O ZINC001483381537 892758937 /nfs/dbraw/zinc/75/89/37/892758937.db2.gz LBMLEQYVWUMHIL-VIFPVBQESA-N 1 2 293.389 -1.267 20 0 CAADLO CCS(=O)(=O)CCC[N@@H+](C)C[C@H](C)NC(=O)C(N)=O ZINC001483381537 892758944 /nfs/dbraw/zinc/75/89/44/892758944.db2.gz LBMLEQYVWUMHIL-VIFPVBQESA-N 1 2 293.389 -1.267 20 0 CAADLO C[C@H](C(N)=O)[N@@H+](C)C[C@H](C)NC(=O)Cc1nnc[nH]1 ZINC001483406048 892760237 /nfs/dbraw/zinc/76/02/37/892760237.db2.gz PTUDMHGIOONUGC-JGVFFNPUSA-N 1 2 268.321 -1.343 20 0 CAADLO C[C@H](C(N)=O)[N@H+](C)C[C@H](C)NC(=O)Cc1nnc[nH]1 ZINC001483406048 892760241 /nfs/dbraw/zinc/76/02/41/892760241.db2.gz PTUDMHGIOONUGC-JGVFFNPUSA-N 1 2 268.321 -1.343 20 0 CAADLO CNC(=O)NC(=O)C[N@H+](C)C[C@@H](C)NC(=O)c1nnc[nH]1 ZINC001483398219 892760413 /nfs/dbraw/zinc/76/04/13/892760413.db2.gz QQMRAOHIOLURBD-SSDOTTSWSA-N 1 2 297.319 -1.690 20 0 CAADLO CNC(=O)NC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)c1nnc[nH]1 ZINC001483398219 892760420 /nfs/dbraw/zinc/76/04/20/892760420.db2.gz QQMRAOHIOLURBD-SSDOTTSWSA-N 1 2 297.319 -1.690 20 0 CAADLO C[C@H](C[N@H+](C)[C@@H](C)C(N)=O)NC(=O)Cc1nnc[nH]1 ZINC001483406049 892761304 /nfs/dbraw/zinc/76/13/04/892761304.db2.gz PTUDMHGIOONUGC-SFYZADRCSA-N 1 2 268.321 -1.343 20 0 CAADLO C[C@H](C[N@@H+](C)[C@@H](C)C(N)=O)NC(=O)Cc1nnc[nH]1 ZINC001483406049 892761314 /nfs/dbraw/zinc/76/13/14/892761314.db2.gz PTUDMHGIOONUGC-SFYZADRCSA-N 1 2 268.321 -1.343 20 0 CAADLO CN(CCC[NH2+]Cc1nnn(C)n1)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001483492761 892764376 /nfs/dbraw/zinc/76/43/76/892764376.db2.gz JQGGQRSUOSGJEM-BDAKNGLRSA-N 1 2 295.347 -1.730 20 0 CAADLO CN(CCC[NH2+]Cc1nnn(C)n1)C(=O)CC(N)=O ZINC001483458509 892765177 /nfs/dbraw/zinc/76/51/77/892765177.db2.gz MVFQQQMZUOUUHP-UHFFFAOYSA-N 1 2 269.309 -1.976 20 0 CAADLO CN(CCC[NH2+]Cc1nnn(C)n1)C(=O)[C@H]1COC(=O)N1 ZINC001483463412 892765318 /nfs/dbraw/zinc/76/53/18/892765318.db2.gz GNGXRNKBCVUMLG-MRVPVSSYSA-N 1 2 297.319 -1.743 20 0 CAADLO NC(=O)C(=O)N[C@@H](C[NH2+]Cc1cnon1)C1CC1 ZINC001483583653 892770497 /nfs/dbraw/zinc/77/04/97/892770497.db2.gz OJYFFIMIXDYQFC-QMMMGPOBSA-N 1 2 253.262 -1.461 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+]1CC[C@@H]1CNC(=O)CC(N)=O ZINC001483638468 892772871 /nfs/dbraw/zinc/77/28/71/892772871.db2.gz PTDIFINCHCNSHL-HTQZYQBOSA-N 1 2 256.306 -1.813 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+]1CC[C@@H]1CNC(=O)CC(N)=O ZINC001483638468 892772881 /nfs/dbraw/zinc/77/28/81/892772881.db2.gz PTDIFINCHCNSHL-HTQZYQBOSA-N 1 2 256.306 -1.813 20 0 CAADLO O=C(CN1CCCC1=O)NC[C@H]1CC[N@@H+]1[C@@H]1CCNC1=O ZINC001483630433 892772652 /nfs/dbraw/zinc/77/26/52/892772652.db2.gz XAROSDYNUKXZIA-GHMZBOCLSA-N 1 2 294.355 -1.312 20 0 CAADLO O=C(CN1CCCC1=O)NC[C@H]1CC[N@H+]1[C@@H]1CCNC1=O ZINC001483630433 892772656 /nfs/dbraw/zinc/77/26/56/892772656.db2.gz XAROSDYNUKXZIA-GHMZBOCLSA-N 1 2 294.355 -1.312 20 0 CAADLO O=C(CCn1cncn1)NC[C@@H]1CC[N@@H+]1[C@H]1CCNC1=O ZINC001483629349 892772731 /nfs/dbraw/zinc/77/27/31/892772731.db2.gz KGUWQZKSBIZEMC-QWRGUYRKSA-N 1 2 292.343 -1.253 20 0 CAADLO O=C(CCn1cncn1)NC[C@@H]1CC[N@H+]1[C@H]1CCNC1=O ZINC001483629349 892772737 /nfs/dbraw/zinc/77/27/37/892772737.db2.gz KGUWQZKSBIZEMC-QWRGUYRKSA-N 1 2 292.343 -1.253 20 0 CAADLO CCC(=O)NCC(=O)NC[C@H]1CC[N@@H+]1[C@@H](C)C(N)=O ZINC001483639115 892772907 /nfs/dbraw/zinc/77/29/07/892772907.db2.gz DLXQPSXUKCOAAP-DTWKUNHWSA-N 1 2 270.333 -1.423 20 0 CAADLO CCC(=O)NCC(=O)NC[C@H]1CC[N@H+]1[C@@H](C)C(N)=O ZINC001483639115 892772914 /nfs/dbraw/zinc/77/29/14/892772914.db2.gz DLXQPSXUKCOAAP-DTWKUNHWSA-N 1 2 270.333 -1.423 20 0 CAADLO CCNC(=O)CC(=O)NC[C@@H]1CC[N@@H+]1CC(=O)N(C)C ZINC001483643651 892773182 /nfs/dbraw/zinc/77/31/82/892773182.db2.gz VAPGDSFFVFDEEH-JTQLQIEISA-N 1 2 284.360 -1.209 20 0 CAADLO CCNC(=O)CC(=O)NC[C@@H]1CC[N@H+]1CC(=O)N(C)C ZINC001483643651 892773187 /nfs/dbraw/zinc/77/31/87/892773187.db2.gz VAPGDSFFVFDEEH-JTQLQIEISA-N 1 2 284.360 -1.209 20 0 CAADLO O=C(Cn1cnnn1)NC[C@@H]1CC[N@@H+]1CC(=O)N1CCC1 ZINC001483628687 892773595 /nfs/dbraw/zinc/77/35/95/892773595.db2.gz IDFVLDUKHFSVTM-JTQLQIEISA-N 1 2 293.331 -1.904 20 0 CAADLO O=C(Cn1cnnn1)NC[C@@H]1CC[N@H+]1CC(=O)N1CCC1 ZINC001483628687 892773606 /nfs/dbraw/zinc/77/36/06/892773606.db2.gz IDFVLDUKHFSVTM-JTQLQIEISA-N 1 2 293.331 -1.904 20 0 CAADLO CCC(=O)NCC(=O)NC[C@@H]1CC[N@@H+]1[C@@H]1CCCNC1=O ZINC001483640472 892773761 /nfs/dbraw/zinc/77/37/61/892773761.db2.gz QPJFAROPYPFFFY-WDEREUQCSA-N 1 2 296.371 -1.018 20 0 CAADLO CCC(=O)NCC(=O)NC[C@@H]1CC[N@H+]1[C@@H]1CCCNC1=O ZINC001483640472 892773770 /nfs/dbraw/zinc/77/37/70/892773770.db2.gz QPJFAROPYPFFFY-WDEREUQCSA-N 1 2 296.371 -1.018 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+]1CC[C@H]1CNC(=O)CC(N)=O ZINC001483638471 892773795 /nfs/dbraw/zinc/77/37/95/892773795.db2.gz PTDIFINCHCNSHL-YUMQZZPRSA-N 1 2 256.306 -1.813 20 0 CAADLO CNC(=O)[C@H](C)[N@H+]1CC[C@H]1CNC(=O)CC(N)=O ZINC001483638471 892773806 /nfs/dbraw/zinc/77/38/06/892773806.db2.gz PTDIFINCHCNSHL-YUMQZZPRSA-N 1 2 256.306 -1.813 20 0 CAADLO CCC(=O)NCC(=O)NC[C@@H]1CC[N@@H+]1[C@H](C)C(N)=O ZINC001483639113 892774168 /nfs/dbraw/zinc/77/41/68/892774168.db2.gz DLXQPSXUKCOAAP-BDAKNGLRSA-N 1 2 270.333 -1.423 20 0 CAADLO CCC(=O)NCC(=O)NC[C@@H]1CC[N@H+]1[C@H](C)C(N)=O ZINC001483639113 892774180 /nfs/dbraw/zinc/77/41/80/892774180.db2.gz DLXQPSXUKCOAAP-BDAKNGLRSA-N 1 2 270.333 -1.423 20 0 CAADLO COC(=O)NCC(=O)NC[C@@H]1CC[N@@H+]1[C@@H]1CCCNC1=O ZINC001483634326 892774403 /nfs/dbraw/zinc/77/44/03/892774403.db2.gz ROKLSSAOKVGSRO-VHSXEESVSA-N 1 2 298.343 -1.189 20 0 CAADLO COC(=O)NCC(=O)NC[C@@H]1CC[N@H+]1[C@@H]1CCCNC1=O ZINC001483634326 892774420 /nfs/dbraw/zinc/77/44/20/892774420.db2.gz ROKLSSAOKVGSRO-VHSXEESVSA-N 1 2 298.343 -1.189 20 0 CAADLO O=C(CCn1cncn1)NC[C@H]1CC[N@@H+]1[C@@H]1CCNC1=O ZINC001483629345 892774672 /nfs/dbraw/zinc/77/46/72/892774672.db2.gz KGUWQZKSBIZEMC-GHMZBOCLSA-N 1 2 292.343 -1.253 20 0 CAADLO O=C(CCn1cncn1)NC[C@H]1CC[N@H+]1[C@@H]1CCNC1=O ZINC001483629345 892774682 /nfs/dbraw/zinc/77/46/82/892774682.db2.gz KGUWQZKSBIZEMC-GHMZBOCLSA-N 1 2 292.343 -1.253 20 0 CAADLO O=C(CCn1cncn1)NC[C@@H]1CC[N@@H+]1[C@@H]1CCNC1=O ZINC001483629351 892774727 /nfs/dbraw/zinc/77/47/27/892774727.db2.gz KGUWQZKSBIZEMC-WDEREUQCSA-N 1 2 292.343 -1.253 20 0 CAADLO O=C(CCn1cncn1)NC[C@@H]1CC[N@H+]1[C@@H]1CCNC1=O ZINC001483629351 892774733 /nfs/dbraw/zinc/77/47/33/892774733.db2.gz KGUWQZKSBIZEMC-WDEREUQCSA-N 1 2 292.343 -1.253 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CC[C@H]1CNC(=O)CN1CCOCC1=O ZINC001483657743 892777929 /nfs/dbraw/zinc/77/79/29/892777929.db2.gz JSOGKRGPSSHTTE-UWVGGRQHSA-N 1 2 298.343 -2.091 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CC[C@H]1CNC(=O)CN1CCOCC1=O ZINC001483657743 892777938 /nfs/dbraw/zinc/77/79/38/892777938.db2.gz JSOGKRGPSSHTTE-UWVGGRQHSA-N 1 2 298.343 -2.091 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CC[C@@H]1CNC(=O)CN1CCOCC1=O ZINC001483657740 892778035 /nfs/dbraw/zinc/77/80/35/892778035.db2.gz JSOGKRGPSSHTTE-NXEZZACHSA-N 1 2 298.343 -2.091 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CC[C@@H]1CNC(=O)CN1CCOCC1=O ZINC001483657740 892778051 /nfs/dbraw/zinc/77/80/51/892778051.db2.gz JSOGKRGPSSHTTE-NXEZZACHSA-N 1 2 298.343 -2.091 20 0 CAADLO Cc1nnc(CC(=O)NC[C@@H]2CC[N@@H+]2[C@H]2CCNC2=O)[nH]1 ZINC001483650775 892778576 /nfs/dbraw/zinc/77/85/76/892778576.db2.gz XZWMVDQXZKORFR-UWVGGRQHSA-N 1 2 292.343 -1.265 20 0 CAADLO Cc1nnc(CC(=O)NC[C@@H]2CC[N@H+]2[C@H]2CCNC2=O)[nH]1 ZINC001483650775 892778587 /nfs/dbraw/zinc/77/85/87/892778587.db2.gz XZWMVDQXZKORFR-UWVGGRQHSA-N 1 2 292.343 -1.265 20 0 CAADLO COC[C@H](O)C[N@@H+]1CC[C@H]1CNC(=O)c1cn[nH]n1 ZINC001483662307 892778901 /nfs/dbraw/zinc/77/89/01/892778901.db2.gz KREFUCUWBKGXFH-DTWKUNHWSA-N 1 2 269.305 -1.384 20 0 CAADLO COC[C@H](O)C[N@H+]1CC[C@H]1CNC(=O)c1cn[nH]n1 ZINC001483662307 892778910 /nfs/dbraw/zinc/77/89/10/892778910.db2.gz KREFUCUWBKGXFH-DTWKUNHWSA-N 1 2 269.305 -1.384 20 0 CAADLO COC[C@H](O)C[N@@H+]1CC[C@H]1CNC(=O)c1cnn[nH]1 ZINC001483662307 892778919 /nfs/dbraw/zinc/77/89/19/892778919.db2.gz KREFUCUWBKGXFH-DTWKUNHWSA-N 1 2 269.305 -1.384 20 0 CAADLO COC[C@H](O)C[N@H+]1CC[C@H]1CNC(=O)c1cnn[nH]1 ZINC001483662307 892778927 /nfs/dbraw/zinc/77/89/27/892778927.db2.gz KREFUCUWBKGXFH-DTWKUNHWSA-N 1 2 269.305 -1.384 20 0 CAADLO COC[C@@H](O)C[N@@H+]1CC[C@H]1CNC(=O)c1cn[nH]n1 ZINC001483662309 892778946 /nfs/dbraw/zinc/77/89/46/892778946.db2.gz KREFUCUWBKGXFH-IUCAKERBSA-N 1 2 269.305 -1.384 20 0 CAADLO COC[C@@H](O)C[N@H+]1CC[C@H]1CNC(=O)c1cn[nH]n1 ZINC001483662309 892778954 /nfs/dbraw/zinc/77/89/54/892778954.db2.gz KREFUCUWBKGXFH-IUCAKERBSA-N 1 2 269.305 -1.384 20 0 CAADLO COC[C@@H](O)C[N@@H+]1CC[C@H]1CNC(=O)c1cnn[nH]1 ZINC001483662309 892778964 /nfs/dbraw/zinc/77/89/64/892778964.db2.gz KREFUCUWBKGXFH-IUCAKERBSA-N 1 2 269.305 -1.384 20 0 CAADLO COC[C@@H](O)C[N@H+]1CC[C@H]1CNC(=O)c1cnn[nH]1 ZINC001483662309 892778969 /nfs/dbraw/zinc/77/89/69/892778969.db2.gz KREFUCUWBKGXFH-IUCAKERBSA-N 1 2 269.305 -1.384 20 0 CAADLO COC[C@H](O)C[N@@H+]1CC[C@@H]1CNC(=O)c1cn[nH]n1 ZINC001483662311 892779433 /nfs/dbraw/zinc/77/94/33/892779433.db2.gz KREFUCUWBKGXFH-RKDXNWHRSA-N 1 2 269.305 -1.384 20 0 CAADLO COC[C@H](O)C[N@H+]1CC[C@@H]1CNC(=O)c1cn[nH]n1 ZINC001483662311 892779440 /nfs/dbraw/zinc/77/94/40/892779440.db2.gz KREFUCUWBKGXFH-RKDXNWHRSA-N 1 2 269.305 -1.384 20 0 CAADLO COC[C@H](O)C[N@@H+]1CC[C@@H]1CNC(=O)c1cnn[nH]1 ZINC001483662311 892779447 /nfs/dbraw/zinc/77/94/47/892779447.db2.gz KREFUCUWBKGXFH-RKDXNWHRSA-N 1 2 269.305 -1.384 20 0 CAADLO COC[C@H](O)C[N@H+]1CC[C@@H]1CNC(=O)c1cnn[nH]1 ZINC001483662311 892779451 /nfs/dbraw/zinc/77/94/51/892779451.db2.gz KREFUCUWBKGXFH-RKDXNWHRSA-N 1 2 269.305 -1.384 20 0 CAADLO CC[C@@H](C(N)=O)[N@@H+]1CC[C@@H]1CNC(=O)CCn1cnnn1 ZINC001483685931 892780646 /nfs/dbraw/zinc/78/06/46/892780646.db2.gz DVLUXCHRWBOJLD-ZJUUUORDSA-N 1 2 295.347 -1.482 20 0 CAADLO CC[C@@H](C(N)=O)[N@H+]1CC[C@@H]1CNC(=O)CCn1cnnn1 ZINC001483685931 892780653 /nfs/dbraw/zinc/78/06/53/892780653.db2.gz DVLUXCHRWBOJLD-ZJUUUORDSA-N 1 2 295.347 -1.482 20 0 CAADLO NC(=O)NCCC(=O)NC[C@@H]1CC[N@@H+]1[C@H]1CCCNC1=O ZINC001483703004 892780684 /nfs/dbraw/zinc/78/06/84/892780684.db2.gz RQKAWAZILFRDKR-UWVGGRQHSA-N 1 2 297.359 -1.486 20 0 CAADLO NC(=O)NCCC(=O)NC[C@@H]1CC[N@H+]1[C@H]1CCCNC1=O ZINC001483703004 892780695 /nfs/dbraw/zinc/78/06/95/892780695.db2.gz RQKAWAZILFRDKR-UWVGGRQHSA-N 1 2 297.359 -1.486 20 0 CAADLO C[C@@H](C(=O)N(C)C)[N@@H+]1CC[C@@H]1CNC(=O)Cn1cncn1 ZINC001483701517 892781435 /nfs/dbraw/zinc/78/14/35/892781435.db2.gz IKQIZFMTTCZDHK-WDEREUQCSA-N 1 2 294.359 -1.055 20 0 CAADLO C[C@@H](C(=O)N(C)C)[N@H+]1CC[C@@H]1CNC(=O)Cn1cncn1 ZINC001483701517 892781441 /nfs/dbraw/zinc/78/14/41/892781441.db2.gz IKQIZFMTTCZDHK-WDEREUQCSA-N 1 2 294.359 -1.055 20 0 CAADLO CC[C@H](C(N)=O)[N@@H+]1CC[C@H]1CNC(=O)CCn1cnnn1 ZINC001483685930 892781624 /nfs/dbraw/zinc/78/16/24/892781624.db2.gz DVLUXCHRWBOJLD-VHSXEESVSA-N 1 2 295.347 -1.482 20 0 CAADLO CC[C@H](C(N)=O)[N@H+]1CC[C@H]1CNC(=O)CCn1cnnn1 ZINC001483685930 892781628 /nfs/dbraw/zinc/78/16/28/892781628.db2.gz DVLUXCHRWBOJLD-VHSXEESVSA-N 1 2 295.347 -1.482 20 0 CAADLO C[C@@H](C(=O)N(C)C)[N@@H+]1CC[C@H]1CNC(=O)Cn1cncn1 ZINC001483701516 892781722 /nfs/dbraw/zinc/78/17/22/892781722.db2.gz IKQIZFMTTCZDHK-QWRGUYRKSA-N 1 2 294.359 -1.055 20 0 CAADLO C[C@@H](C(=O)N(C)C)[N@H+]1CC[C@H]1CNC(=O)Cn1cncn1 ZINC001483701516 892781725 /nfs/dbraw/zinc/78/17/25/892781725.db2.gz IKQIZFMTTCZDHK-QWRGUYRKSA-N 1 2 294.359 -1.055 20 0 CAADLO NC(=O)NCCC(=O)NC[C@H]1CC[N@@H+]1[C@H]1CCCNC1=O ZINC001483703007 892781825 /nfs/dbraw/zinc/78/18/25/892781825.db2.gz RQKAWAZILFRDKR-ZJUUUORDSA-N 1 2 297.359 -1.486 20 0 CAADLO NC(=O)NCCC(=O)NC[C@H]1CC[N@H+]1[C@H]1CCCNC1=O ZINC001483703007 892781826 /nfs/dbraw/zinc/78/18/26/892781826.db2.gz RQKAWAZILFRDKR-ZJUUUORDSA-N 1 2 297.359 -1.486 20 0 CAADLO NC(=O)C(=O)NC[C@H]1CC[N@@H+]1CCOC[C@H]1CCCO1 ZINC001483677831 892781838 /nfs/dbraw/zinc/78/18/38/892781838.db2.gz SHILAOMXMKWSSO-GHMZBOCLSA-N 1 2 285.344 -1.142 20 0 CAADLO NC(=O)C(=O)NC[C@H]1CC[N@H+]1CCOC[C@H]1CCCO1 ZINC001483677831 892781840 /nfs/dbraw/zinc/78/18/40/892781840.db2.gz SHILAOMXMKWSSO-GHMZBOCLSA-N 1 2 285.344 -1.142 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+]1CC[C@H]1CNC(=O)C1(C(=O)NC)CC1 ZINC001483688367 892781847 /nfs/dbraw/zinc/78/18/47/892781847.db2.gz OQNIYKZEAIGYDG-UWVGGRQHSA-N 1 2 296.371 -1.162 20 0 CAADLO CNC(=O)[C@H](C)[N@H+]1CC[C@H]1CNC(=O)C1(C(=O)NC)CC1 ZINC001483688367 892781850 /nfs/dbraw/zinc/78/18/50/892781850.db2.gz OQNIYKZEAIGYDG-UWVGGRQHSA-N 1 2 296.371 -1.162 20 0 CAADLO CC[C@H](C(N)=O)[N@@H+]1CC[C@@H]1CNC(=O)CCn1cnnn1 ZINC001483685928 892782081 /nfs/dbraw/zinc/78/20/81/892782081.db2.gz DVLUXCHRWBOJLD-NXEZZACHSA-N 1 2 295.347 -1.482 20 0 CAADLO CC[C@H](C(N)=O)[N@H+]1CC[C@@H]1CNC(=O)CCn1cnnn1 ZINC001483685928 892782087 /nfs/dbraw/zinc/78/20/87/892782087.db2.gz DVLUXCHRWBOJLD-NXEZZACHSA-N 1 2 295.347 -1.482 20 0 CAADLO NC(=O)C(=O)NC[C@H]1CC[N@@H+]1CCOC[C@@H]1CCCO1 ZINC001483677840 892783322 /nfs/dbraw/zinc/78/33/22/892783322.db2.gz SHILAOMXMKWSSO-MNOVXSKESA-N 1 2 285.344 -1.142 20 0 CAADLO NC(=O)C(=O)NC[C@H]1CC[N@H+]1CCOC[C@@H]1CCCO1 ZINC001483677840 892783331 /nfs/dbraw/zinc/78/33/31/892783331.db2.gz SHILAOMXMKWSSO-MNOVXSKESA-N 1 2 285.344 -1.142 20 0 CAADLO CC(=O)N[C@@H](C)C(=O)NCC1([NH2+]Cc2nnnn2C)CC1 ZINC001483715217 892784821 /nfs/dbraw/zinc/78/48/21/892784821.db2.gz OCGZOOPWVGNCNT-QMMMGPOBSA-N 1 2 295.347 -1.527 20 0 CAADLO C[C@@H]([NH2+]C1(CNC(=O)CC(N)=O)CC1)c1nnnn1C ZINC001483722676 892785172 /nfs/dbraw/zinc/78/51/72/892785172.db2.gz OUHBTBUYXJAPNL-SSDOTTSWSA-N 1 2 281.320 -1.615 20 0 CAADLO Cn1ncc(C[NH2+]C2(CNC(=O)Cn3ncnn3)CC2)n1 ZINC001483735469 892785277 /nfs/dbraw/zinc/78/52/77/892785277.db2.gz RKQGBNDYKNXOJA-UHFFFAOYSA-N 1 2 291.319 -1.760 20 0 CAADLO CNC(=O)NCC(=O)NCC1([NH2+]Cc2ncnn2C)CC1 ZINC001483737855 892785375 /nfs/dbraw/zinc/78/53/75/892785375.db2.gz GHORONCEWWFGPR-UHFFFAOYSA-N 1 2 295.347 -1.518 20 0 CAADLO Cn1nnnc1C[NH2+]C1(CNC(=O)CC(N)=O)CC1 ZINC001483722360 892786752 /nfs/dbraw/zinc/78/67/52/892786752.db2.gz IVCRKKXRPLTEFB-UHFFFAOYSA-N 1 2 267.293 -2.176 20 0 CAADLO O=C(Cn1cnnn1)NCC1([NH2+]Cc2cnon2)CC1 ZINC001483714068 892787269 /nfs/dbraw/zinc/78/72/69/892787269.db2.gz NTSWDMMVDNZIKA-UHFFFAOYSA-N 1 2 278.276 -1.505 20 0 CAADLO Cn1[nH]c(C[NH2+]C2(CNC(=O)C(N)=O)CC2)nc1=O ZINC001483763452 892788308 /nfs/dbraw/zinc/78/83/08/892788308.db2.gz FYYNTTLSNFYKLA-UHFFFAOYSA-N 1 2 268.277 -2.668 20 0 CAADLO Cn1nnnc1C[NH2+]C1(CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)CC1 ZINC001483760239 892790867 /nfs/dbraw/zinc/79/08/67/892790867.db2.gz KSFXDIDNCBBUQJ-JZYVYDRUSA-N 1 2 292.343 -1.159 20 0 CAADLO CN(C(=O)CNC(=O)C1CC1)C1C[NH+](CCO)C1 ZINC001483853383 892792191 /nfs/dbraw/zinc/79/21/91/892792191.db2.gz JJGRVAXMZLMHSW-UHFFFAOYSA-N 1 2 255.318 -1.353 20 0 CAADLO COC[C@H](O)C[NH+]1CC(N(C)C(=O)C(C)(C)C(N)=O)C1 ZINC001483869091 892793799 /nfs/dbraw/zinc/79/37/99/892793799.db2.gz KYJSTWYVNWNGHQ-SNVBAGLBSA-N 1 2 287.360 -1.352 20 0 CAADLO CN(C)S(=O)(=O)CC(=O)N(C)C1C[NH+](CCCO)C1 ZINC001483888503 892793838 /nfs/dbraw/zinc/79/38/38/892793838.db2.gz SDGXJMHONSSZKJ-UHFFFAOYSA-N 1 2 293.389 -1.597 20 0 CAADLO CN(C(=O)[C@H]1C[C@H]1C(N)=O)C1C[NH+](CCOCCO)C1 ZINC001483878639 892793911 /nfs/dbraw/zinc/79/39/11/892793911.db2.gz CJQDBCGAOMIDFE-MNOVXSKESA-N 1 2 285.344 -1.741 20 0 CAADLO C[C@]1(NC(=O)c2ccn[nH]2)CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001484029965 892796377 /nfs/dbraw/zinc/79/63/77/892796377.db2.gz OPXQIRVDKZJZDG-LBPRGKRZSA-N 1 2 294.315 -1.201 20 0 CAADLO C[C@]1(NC(=O)c2ccn[nH]2)CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001484029965 892796384 /nfs/dbraw/zinc/79/63/84/892796384.db2.gz OPXQIRVDKZJZDG-LBPRGKRZSA-N 1 2 294.315 -1.201 20 0 CAADLO CO[C@@H](C)C(=O)N[C@]1(C)CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001484031426 892797144 /nfs/dbraw/zinc/79/71/44/892797144.db2.gz DCLMCXGGGAHCRD-QPUJVOFHSA-N 1 2 286.332 -1.203 20 0 CAADLO CO[C@@H](C)C(=O)N[C@]1(C)CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001484031426 892797150 /nfs/dbraw/zinc/79/71/50/892797150.db2.gz DCLMCXGGGAHCRD-QPUJVOFHSA-N 1 2 286.332 -1.203 20 0 CAADLO CO[C@H](C)C(=O)N[C@]1(C)CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001484031424 892797494 /nfs/dbraw/zinc/79/74/94/892797494.db2.gz DCLMCXGGGAHCRD-PRHODGIISA-N 1 2 286.332 -1.203 20 0 CAADLO CO[C@H](C)C(=O)N[C@]1(C)CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001484031424 892797505 /nfs/dbraw/zinc/79/75/05/892797505.db2.gz DCLMCXGGGAHCRD-PRHODGIISA-N 1 2 286.332 -1.203 20 0 CAADLO CCn1nncc1C[N@@H+]1CC[C@](C)(NC(=O)C(N)=O)C1 ZINC001484059550 892798739 /nfs/dbraw/zinc/79/87/39/892798739.db2.gz UWTCLXFZGRZZSV-LBPRGKRZSA-N 1 2 280.332 -1.136 20 0 CAADLO CCn1nncc1C[N@H+]1CC[C@](C)(NC(=O)C(N)=O)C1 ZINC001484059550 892798753 /nfs/dbraw/zinc/79/87/53/892798753.db2.gz UWTCLXFZGRZZSV-LBPRGKRZSA-N 1 2 280.332 -1.136 20 0 CAADLO C[C@@]1(NC(=O)Cc2nc[nH]n2)CC[N@H+](CC(N)=O)C1 ZINC001484063845 892799210 /nfs/dbraw/zinc/79/92/10/892799210.db2.gz GZDPHXJJWGGICO-LLVKDONJSA-N 1 2 266.305 -1.587 20 0 CAADLO C[C@@]1(NC(=O)Cc2nc[nH]n2)CC[N@@H+](CC(N)=O)C1 ZINC001484063845 892799212 /nfs/dbraw/zinc/79/92/12/892799212.db2.gz GZDPHXJJWGGICO-LLVKDONJSA-N 1 2 266.305 -1.587 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CC[C@](C)(NC(=O)C(=O)NCC2CC2)C1 ZINC001484063441 892800234 /nfs/dbraw/zinc/80/02/34/892800234.db2.gz ROFOMBKLJMGRLK-XPTSAGLGSA-N 1 2 296.371 -1.033 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CC[C@](C)(NC(=O)C(=O)NCC2CC2)C1 ZINC001484063441 892800254 /nfs/dbraw/zinc/80/02/54/892800254.db2.gz ROFOMBKLJMGRLK-XPTSAGLGSA-N 1 2 296.371 -1.033 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CC[C@](C)(NC(=O)C(=O)NCC2CC2)C1 ZINC001484063440 892802354 /nfs/dbraw/zinc/80/23/54/892802354.db2.gz ROFOMBKLJMGRLK-OTYXRUKQSA-N 1 2 296.371 -1.033 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CC[C@](C)(NC(=O)C(=O)NCC2CC2)C1 ZINC001484063440 892802371 /nfs/dbraw/zinc/80/23/71/892802371.db2.gz ROFOMBKLJMGRLK-OTYXRUKQSA-N 1 2 296.371 -1.033 20 0 CAADLO CCn1nncc1C[N@@H+]1CC[C@@](C)(NC(=O)C(N)=O)C1 ZINC001484059549 892802637 /nfs/dbraw/zinc/80/26/37/892802637.db2.gz UWTCLXFZGRZZSV-GFCCVEGCSA-N 1 2 280.332 -1.136 20 0 CAADLO CCn1nncc1C[N@H+]1CC[C@@](C)(NC(=O)C(N)=O)C1 ZINC001484059549 892802651 /nfs/dbraw/zinc/80/26/51/892802651.db2.gz UWTCLXFZGRZZSV-GFCCVEGCSA-N 1 2 280.332 -1.136 20 0 CAADLO CC(=O)NC[C@]1(O)CC[N@H+](CCS(C)(=O)=O)C1 ZINC001484198021 892804192 /nfs/dbraw/zinc/80/41/92/892804192.db2.gz OKSMRXCJJVYYQI-SNVBAGLBSA-N 1 2 264.347 -1.396 20 0 CAADLO CC(=O)NC[C@]1(O)CC[N@@H+](CCS(C)(=O)=O)C1 ZINC001484198021 892804214 /nfs/dbraw/zinc/80/42/14/892804214.db2.gz OKSMRXCJJVYYQI-SNVBAGLBSA-N 1 2 264.347 -1.396 20 0 CAADLO COCC(=O)NC[C@]1(O)CC[N@H+](CCS(C)(=O)=O)C1 ZINC001484197977 892807603 /nfs/dbraw/zinc/80/76/03/892807603.db2.gz NTHRNTAMQYHCIT-LLVKDONJSA-N 1 2 294.373 -1.770 20 0 CAADLO COCC(=O)NC[C@]1(O)CC[N@@H+](CCS(C)(=O)=O)C1 ZINC001484197977 892807624 /nfs/dbraw/zinc/80/76/24/892807624.db2.gz NTHRNTAMQYHCIT-LLVKDONJSA-N 1 2 294.373 -1.770 20 0 CAADLO COCC(=O)NCC1(O)C[NH+](CCC[C@@H](C)O)C1 ZINC001484253151 892820154 /nfs/dbraw/zinc/82/01/54/892820154.db2.gz AGCCYAYNEJRQSR-SNVBAGLBSA-N 1 2 260.334 -1.043 20 0 CAADLO COCC(=O)NCC1(O)C[NH+](CCC[C@H](C)O)C1 ZINC001484253150 892821317 /nfs/dbraw/zinc/82/13/17/892821317.db2.gz AGCCYAYNEJRQSR-JTQLQIEISA-N 1 2 260.334 -1.043 20 0 CAADLO CC[NH+]1CC(O)(CNC(=O)CNC(=O)C2CC2)C1 ZINC001484261515 892827051 /nfs/dbraw/zinc/82/70/51/892827051.db2.gz PIDKGNDVOUKERF-UHFFFAOYSA-N 1 2 255.318 -1.305 20 0 CAADLO CCOCC[NH+]1CC(O)(CNC(=O)Cn2cnnn2)C1 ZINC001484257006 892827979 /nfs/dbraw/zinc/82/79/79/892827979.db2.gz DTHQTVFFOMHPCS-UHFFFAOYSA-N 1 2 284.320 -2.128 20 0 CAADLO C[C@@H](F)CC[NH+]1CC(O)(CNC(=O)Cn2cnnn2)C1 ZINC001484257254 892828207 /nfs/dbraw/zinc/82/82/07/892828207.db2.gz JKMCNVVUDFNLPF-SECBINFHSA-N 1 2 286.311 -1.416 20 0 CAADLO Cc1cnc(C(=O)NCC2(O)C[NH+](CCCO)C2)cn1 ZINC001484258654 892828609 /nfs/dbraw/zinc/82/86/09/892828609.db2.gz VOCFIFKYDGOXNV-UHFFFAOYSA-N 1 2 280.328 -1.056 20 0 CAADLO CCOCC[NH+]1CC(O)(CNC(=O)CN(C)C(C)=O)C1 ZINC001484260114 892829016 /nfs/dbraw/zinc/82/90/16/892829016.db2.gz IPPIUYBDEHNTGH-UHFFFAOYSA-N 1 2 287.360 -1.336 20 0 CAADLO C[C@H](O)C[NH+]1CC(O)(CNC(=O)CNC(=O)C2CC2)C1 ZINC001484261724 892829402 /nfs/dbraw/zinc/82/94/02/892829402.db2.gz XOOMALFMYAXTKU-VIFPVBQESA-N 1 2 285.344 -1.944 20 0 CAADLO COC[C@@H](C)[NH+]1CC(O)(CNC(=O)CNC(=O)C2CC2)C1 ZINC001484260912 892830219 /nfs/dbraw/zinc/83/02/19/892830219.db2.gz CSBZWMWGOXMJDL-SNVBAGLBSA-N 1 2 299.371 -1.290 20 0 CAADLO COCCOCC(=O)NCC1(O)C[NH+](C[C@H](C)O)C1 ZINC001484265514 892831440 /nfs/dbraw/zinc/83/14/40/892831440.db2.gz YKHKQCDLFXBEOH-JTQLQIEISA-N 1 2 276.333 -1.807 20 0 CAADLO CC[C@H](OC)C(=O)NCC1(O)C[NH+](C[C@H](O)COC)C1 ZINC001484264630 892832168 /nfs/dbraw/zinc/83/21/68/892832168.db2.gz SZTLPFXWMJCLPG-QWRGUYRKSA-N 1 2 290.360 -1.418 20 0 CAADLO C[C@@H](O)C[NH+]1CC(O)(CNC(=O)c2ccnn2C)C1 ZINC001484265040 892832781 /nfs/dbraw/zinc/83/27/81/892832781.db2.gz WUKCRUUEIINETO-SECBINFHSA-N 1 2 268.317 -1.423 20 0 CAADLO COC[C@@H](C)[NH+]1CC(O)(CNC(=O)CC(N)=O)C1 ZINC001484265151 892832912 /nfs/dbraw/zinc/83/29/12/892832912.db2.gz KFJMIVIMZWEWJN-MRVPVSSYSA-N 1 2 259.306 -1.940 20 0 CAADLO CC(C)=CC[NH+]1CC(O)(CNC(=O)CC(N)=O)C1 ZINC001484265110 892832975 /nfs/dbraw/zinc/83/29/75/892832975.db2.gz JSSWVIHTZWWUJI-UHFFFAOYSA-N 1 2 255.318 -1.009 20 0 CAADLO C[C@H](O)C[NH+]1CC(O)(CNC(=O)c2ccnn2C)C1 ZINC001484265043 892833492 /nfs/dbraw/zinc/83/34/92/892833492.db2.gz WUKCRUUEIINETO-VIFPVBQESA-N 1 2 268.317 -1.423 20 0 CAADLO COCCOCC(=O)NCC1(O)C[NH+](C[C@@H](C)O)C1 ZINC001484265515 892834545 /nfs/dbraw/zinc/83/45/45/892834545.db2.gz YKHKQCDLFXBEOH-SNVBAGLBSA-N 1 2 276.333 -1.807 20 0 CAADLO CC[NH+]1CC(O)(CNC(=O)[C@H]2CCNC(=O)C2)C1 ZINC001484267518 892834586 /nfs/dbraw/zinc/83/45/86/892834586.db2.gz IPVBSBUGNUNDJM-VIFPVBQESA-N 1 2 255.318 -1.305 20 0 CAADLO C[C@@H](O)C[NH+]1CC(O)(CNC(=O)c2cn3c(n2)CCC3)C1 ZINC001484274038 892835281 /nfs/dbraw/zinc/83/52/81/892835281.db2.gz XHFRWFKXJZWKTO-SNVBAGLBSA-N 1 2 294.355 -1.013 20 0 CAADLO O=C(Cn1ncnn1)NCC1(O)C[NH+](CCCO)C1 ZINC001484273693 892835370 /nfs/dbraw/zinc/83/53/70/892835370.db2.gz MBJYAYDIGIBASM-UHFFFAOYSA-N 1 2 270.293 -2.782 20 0 CAADLO COC[C@H](O)C[NH+]1CC(O)(CNC(=O)C2(C)CC2)C1 ZINC001484274666 892836045 /nfs/dbraw/zinc/83/60/45/892836045.db2.gz LVHXQXXUPQUGHB-SNVBAGLBSA-N 1 2 272.345 -1.043 20 0 CAADLO C[C@@H](C(=O)NCC1(O)C[NH+](CCCO)C1)n1cncn1 ZINC001484268433 892836500 /nfs/dbraw/zinc/83/65/00/892836500.db2.gz CPEMQAHPMGNJEX-JTQLQIEISA-N 1 2 283.332 -1.616 20 0 CAADLO CO[C@@H](C)C[NH+]1CC(O)(CNC(=O)[C@H]2COC(=O)N2)C1 ZINC001484271705 892837039 /nfs/dbraw/zinc/83/70/39/892837039.db2.gz TUFFIQZWNMFPHT-DTWKUNHWSA-N 1 2 287.316 -1.707 20 0 CAADLO CCN1C[C@H](C(=O)NCC2(O)C[NH+](CCCO)C2)CC1=O ZINC001484276568 892838745 /nfs/dbraw/zinc/83/87/45/892838745.db2.gz UWNYOURCKCYDIA-LLVKDONJSA-N 1 2 299.371 -1.600 20 0 CAADLO C[C@]1(C(=O)NCC2(O)C[NH+](CCCO)C2)CCNC(=O)C1 ZINC001484280056 892838780 /nfs/dbraw/zinc/83/87/80/892838780.db2.gz UULFIDBXKBQXGA-ZDUSSCGKSA-N 1 2 299.371 -1.552 20 0 CAADLO CCN1C[C@H](C(=O)NCC2(O)C[NH+](C[C@@H](C)O)C2)CC1=O ZINC001484276392 892839316 /nfs/dbraw/zinc/83/93/16/892839316.db2.gz SAVPHMRAMFGZKI-GHMZBOCLSA-N 1 2 299.371 -1.602 20 0 CAADLO CC[NH+]1CC(O)(CNC(=O)c2cnc[nH]c2=O)C1 ZINC001484279303 892839656 /nfs/dbraw/zinc/83/96/56/892839656.db2.gz IISXEIWFQILTOK-UHFFFAOYSA-N 1 2 252.274 -1.021 20 0 CAADLO NC(=O)CN1CC(O)(CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001484276274 892839849 /nfs/dbraw/zinc/83/98/49/892839849.db2.gz LOJPRSGCDXEHTN-UHFFFAOYSA-N 1 2 281.316 -2.010 20 0 CAADLO NC(=O)CN1CC(O)(CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001484276274 892839867 /nfs/dbraw/zinc/83/98/67/892839867.db2.gz LOJPRSGCDXEHTN-UHFFFAOYSA-N 1 2 281.316 -2.010 20 0 CAADLO C[C@@H](O)C[NH+]1CC(O)(CNC(=O)C(C)(C)C(N)=O)C1 ZINC001484278043 892840269 /nfs/dbraw/zinc/84/02/69/892840269.db2.gz HLXDJNFGYZWQIT-MRVPVSSYSA-N 1 2 273.333 -1.958 20 0 CAADLO NC(=O)CN1CC(O)(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001484278945 892840764 /nfs/dbraw/zinc/84/07/64/892840764.db2.gz YXIWCQUZIYHFOQ-RKDXNWHRSA-N 1 2 293.327 -1.839 20 0 CAADLO NC(=O)CN1CC(O)(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001484278945 892840781 /nfs/dbraw/zinc/84/07/81/892840781.db2.gz YXIWCQUZIYHFOQ-RKDXNWHRSA-N 1 2 293.327 -1.839 20 0 CAADLO C[C@@H](O)C[NH+]1CC(O)(CNC(=O)CN(C)C(=O)C2CC2)C1 ZINC001484276374 892841370 /nfs/dbraw/zinc/84/13/70/892841370.db2.gz RGNDGFVCOIKIBL-SNVBAGLBSA-N 1 2 299.371 -1.602 20 0 CAADLO CCOCC[NH+]1CC(O)(CNC(=O)c2cnc[nH]c2=O)C1 ZINC001484279967 892841592 /nfs/dbraw/zinc/84/15/92/892841592.db2.gz SUUKSBULTYCBNR-UHFFFAOYSA-N 1 2 296.327 -1.005 20 0 CAADLO C[C@@H](O)C[NH+]1CC(O)(CNC(=O)[C@@]2(C)CCC(=O)NC2)C1 ZINC001484290200 892843030 /nfs/dbraw/zinc/84/30/30/892843030.db2.gz BYUBXPNKEYUSTF-MFKMUULPSA-N 1 2 299.371 -1.554 20 0 CAADLO CCOCC[NH+]1CC(O)(CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001484292055 892843153 /nfs/dbraw/zinc/84/31/53/892843153.db2.gz MADUVXGYJMKBMU-SECBINFHSA-N 1 2 286.332 -2.133 20 0 CAADLO COC[C@@H](C)[NH+]1CC(O)(CNC(=O)c2cn(C)c(=O)[nH]2)C1 ZINC001484294150 892843388 /nfs/dbraw/zinc/84/33/88/892843388.db2.gz XCQYMFKRUZBPLW-SECBINFHSA-N 1 2 298.343 -1.063 20 0 CAADLO C[C@@]1(C(=O)NCC2(O)C[NH+](CCCO)C2)CCC(=O)N1 ZINC001484293057 892843587 /nfs/dbraw/zinc/84/35/87/892843587.db2.gz USYHZDKQWZQDAZ-LBPRGKRZSA-N 1 2 285.344 -1.800 20 0 CAADLO Cc1nn[nH]c1C(=O)NCC1(O)C[NH+](C[C@@H](C)O)C1 ZINC001484287761 892844307 /nfs/dbraw/zinc/84/43/07/892844307.db2.gz YUVJNKJCNGOGEG-SSDOTTSWSA-N 1 2 269.305 -1.730 20 0 CAADLO C[C@H](C(N)=O)N1CC(O)(CNC(=O)CCn2cc[nH+]c2)C1 ZINC001484287238 892844843 /nfs/dbraw/zinc/84/48/43/892844843.db2.gz UMUQFIZEBDWZMI-SNVBAGLBSA-N 1 2 295.343 -1.690 20 0 CAADLO C[C@@H](C(N)=O)N1CC(O)(CNC(=O)CCn2cc[nH+]c2)C1 ZINC001484287237 892845003 /nfs/dbraw/zinc/84/50/03/892845003.db2.gz UMUQFIZEBDWZMI-JTQLQIEISA-N 1 2 295.343 -1.690 20 0 CAADLO C[C@H](O)C[NH+]1CC(O)(CNC(=O)CCc2ncccn2)C1 ZINC001484300508 892847017 /nfs/dbraw/zinc/84/70/17/892847017.db2.gz CYOCGWUMFLMEFP-NSHDSACASA-N 1 2 294.355 -1.047 20 0 CAADLO CN1C(=O)CCC[C@@H]1C(=O)NCC1(O)C[NH+](CCCO)C1 ZINC001484308150 892847561 /nfs/dbraw/zinc/84/75/61/892847561.db2.gz ZNIQFHPOKGNTMU-LLVKDONJSA-N 1 2 299.371 -1.457 20 0 CAADLO CC[NH+]1CC(O)(CNC(=O)[C@@H](C)NS(C)(=O)=O)C1 ZINC001484297289 892847869 /nfs/dbraw/zinc/84/78/69/892847869.db2.gz HNYIVRPVZWMJSS-MRVPVSSYSA-N 1 2 279.362 -1.893 20 0 CAADLO C[C@@H](CC(=O)NCC1(O)CN(CCO)C1)n1cc[nH+]c1 ZINC001484298314 892848200 /nfs/dbraw/zinc/84/82/00/892848200.db2.gz ZDSXUIHYXZWIPN-NSHDSACASA-N 1 2 282.344 -1.011 20 0 CAADLO CC[NH+]1CC(O)(CNC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001484300011 892849854 /nfs/dbraw/zinc/84/98/54/892849854.db2.gz KUUFODJJWCJXHZ-UHFFFAOYSA-N 1 2 269.301 -1.778 20 0 CAADLO C[C@@H](O)C[NH+]1CC(O)(CNC(=O)c2cn(C)c(=O)n2C)C1 ZINC001484312281 892851129 /nfs/dbraw/zinc/85/11/29/892851129.db2.gz AJLFNJSYPJQEQN-SECBINFHSA-N 1 2 298.343 -2.119 20 0 CAADLO CC[NH+]1CC(O)(CNC(=O)c2ccc(C(N)=O)cn2)C1 ZINC001484313248 892853426 /nfs/dbraw/zinc/85/34/26/892853426.db2.gz OXZKMEXOHGWKMN-UHFFFAOYSA-N 1 2 278.312 -1.023 20 0 CAADLO C[C@H](O)C[NH+]1CC(O)(CNC(=O)c2ccn(C)n2)C1 ZINC001484309971 892854035 /nfs/dbraw/zinc/85/40/35/892854035.db2.gz SAFZKHHWIKLDOS-VIFPVBQESA-N 1 2 268.317 -1.423 20 0 CAADLO C[C@H](O)C[NH+]1CC(O)(CNC(=O)c2cn(C)c(=O)n2C)C1 ZINC001484312282 892854257 /nfs/dbraw/zinc/85/42/57/892854257.db2.gz AJLFNJSYPJQEQN-VIFPVBQESA-N 1 2 298.343 -2.119 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@](CO)(NC(=O)[C@@H]2CCOC2)C1 ZINC001484429413 892857748 /nfs/dbraw/zinc/85/77/48/892857748.db2.gz AUHBXYURBBJTJO-MFKMUULPSA-N 1 2 285.344 -1.549 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@](CO)(NC(=O)[C@@H]2CCOC2)C1 ZINC001484429413 892857764 /nfs/dbraw/zinc/85/77/64/892857764.db2.gz AUHBXYURBBJTJO-MFKMUULPSA-N 1 2 285.344 -1.549 20 0 CAADLO CCOCC(=O)N[C@]1(CO)CCC[N@@H+]([C@H](C)C(N)=O)C1 ZINC001484426307 892858674 /nfs/dbraw/zinc/85/86/74/892858674.db2.gz LFFWZVNNAOOCTM-ZWNOBZJWSA-N 1 2 287.360 -1.160 20 0 CAADLO CCOCC(=O)N[C@]1(CO)CCC[N@H+]([C@H](C)C(N)=O)C1 ZINC001484426307 892858689 /nfs/dbraw/zinc/85/86/89/892858689.db2.gz LFFWZVNNAOOCTM-ZWNOBZJWSA-N 1 2 287.360 -1.160 20 0 CAADLO CCOCC(=O)N[C@@]1(CO)CCC[N@@H+]([C@H](C)C(N)=O)C1 ZINC001484426306 892860072 /nfs/dbraw/zinc/86/00/72/892860072.db2.gz LFFWZVNNAOOCTM-MFKMUULPSA-N 1 2 287.360 -1.160 20 0 CAADLO CCOCC(=O)N[C@@]1(CO)CCC[N@H+]([C@H](C)C(N)=O)C1 ZINC001484426306 892860090 /nfs/dbraw/zinc/86/00/90/892860090.db2.gz LFFWZVNNAOOCTM-MFKMUULPSA-N 1 2 287.360 -1.160 20 0 CAADLO CCOCC(=O)N[C@@]1(CO)CCC[N@@H+]([C@@H](C)C(N)=O)C1 ZINC001484426304 892860122 /nfs/dbraw/zinc/86/01/22/892860122.db2.gz LFFWZVNNAOOCTM-GWCFXTLKSA-N 1 2 287.360 -1.160 20 0 CAADLO CCOCC(=O)N[C@@]1(CO)CCC[N@H+]([C@@H](C)C(N)=O)C1 ZINC001484426304 892860142 /nfs/dbraw/zinc/86/01/42/892860142.db2.gz LFFWZVNNAOOCTM-GWCFXTLKSA-N 1 2 287.360 -1.160 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CCC[C@](CO)(NC(=O)c2ccn[nH]2)C1 ZINC001484426949 892860559 /nfs/dbraw/zinc/86/05/59/892860559.db2.gz ADECUAOEAZJDOZ-ZANVPECISA-N 1 2 295.343 -1.160 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CCC[C@](CO)(NC(=O)c2ccn[nH]2)C1 ZINC001484426949 892860571 /nfs/dbraw/zinc/86/05/71/892860571.db2.gz ADECUAOEAZJDOZ-ZANVPECISA-N 1 2 295.343 -1.160 20 0 CAADLO COCC(=O)N(CCO)CC[NH2+]Cc1nc(C)no1 ZINC001484472530 892864570 /nfs/dbraw/zinc/86/45/70/892864570.db2.gz QGAUSJSYAKGWMX-UHFFFAOYSA-N 1 2 272.305 -1.065 20 0 CAADLO NC(=O)C(=O)N(CCO)CC[NH2+]Cc1nncs1 ZINC001484492461 892867249 /nfs/dbraw/zinc/86/72/49/892867249.db2.gz JYFCVAAGDBLGAD-UHFFFAOYSA-N 1 2 273.318 -2.066 20 0 CAADLO C[C@H]([NH2+]CCN(CCO)C(=O)C(N)=O)c1ncccn1 ZINC001484493745 892874295 /nfs/dbraw/zinc/87/42/95/892874295.db2.gz VZDZVBUXWZWQBA-VIFPVBQESA-N 1 2 281.316 -1.567 20 0 CAADLO Cn1c[nH+]cc1CC(=O)NC[C@@H]1COCCN1CCO ZINC001484611288 892878475 /nfs/dbraw/zinc/87/84/75/892878475.db2.gz YRXPCRMYQNWAJR-GFCCVEGCSA-N 1 2 282.344 -1.228 20 0 CAADLO CNC(=O)CN1CCOC[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001484610155 892879406 /nfs/dbraw/zinc/87/94/06/892879406.db2.gz OJZLYYPWIIOQJP-LLVKDONJSA-N 1 2 295.343 -1.554 20 0 CAADLO CC[N@@H+]1CCOC[C@@H]1CNC(=O)Cn1nc(C)n(C)c1=O ZINC001484607265 892881120 /nfs/dbraw/zinc/88/11/20/892881120.db2.gz JSXGSAVETFAJMU-NSHDSACASA-N 1 2 297.359 -1.273 20 0 CAADLO CC[N@H+]1CCOC[C@@H]1CNC(=O)Cn1nc(C)n(C)c1=O ZINC001484607265 892881137 /nfs/dbraw/zinc/88/11/37/892881137.db2.gz JSXGSAVETFAJMU-NSHDSACASA-N 1 2 297.359 -1.273 20 0 CAADLO COCCCC[NH+]1CC2(C1)CN(C(=O)C(N)=O)CCO2 ZINC001484776788 892889223 /nfs/dbraw/zinc/88/92/23/892889223.db2.gz ACCFTLKLVLVGLA-UHFFFAOYSA-N 1 2 285.344 -1.189 20 0 CAADLO COCCC(=O)N1CC[C@H]([NH+]2CCN(CC(N)=O)CC2)C1 ZINC001484705967 892889280 /nfs/dbraw/zinc/88/92/80/892889280.db2.gz VMGPQCNUNZXSPB-LBPRGKRZSA-N 1 2 298.387 -1.273 20 0 CAADLO CCOCC[NH+]1CC2(C1)C[C@H](NC(=O)CC(N)=O)CO2 ZINC001484794512 892889664 /nfs/dbraw/zinc/88/96/64/892889664.db2.gz MKKXCKIZCROBKX-JTQLQIEISA-N 1 2 285.344 -1.142 20 0 CAADLO CCOCCC[NH+]1CC2(C1)CN(C(=O)C(N)=O)CCO2 ZINC001484777159 892890044 /nfs/dbraw/zinc/89/00/44/892890044.db2.gz IVTBOEGLPDAVTP-UHFFFAOYSA-N 1 2 285.344 -1.189 20 0 CAADLO COCC(=O)N[C@H]1COC2(C[NH+](C[C@H](C)O)C2)C1 ZINC001484788902 892891309 /nfs/dbraw/zinc/89/13/09/892891309.db2.gz HZUXPGSOHYMIQN-VHSXEESVSA-N 1 2 258.318 -1.027 20 0 CAADLO COCC[NH+]1CC2(C1)CC[C@H](CNC(=O)CC(N)=O)O2 ZINC001484783410 892891371 /nfs/dbraw/zinc/89/13/71/892891371.db2.gz IAKWVRSDBWLJOJ-SNVBAGLBSA-N 1 2 285.344 -1.142 20 0 CAADLO Cc1nnc(C[NH2+][C@@]2(CO)CCCN(C(=O)C(N)=O)C2)[nH]1 ZINC001484846669 892895719 /nfs/dbraw/zinc/89/57/19/892895719.db2.gz FSGQCSOHRJBOLB-LBPRGKRZSA-N 1 2 296.331 -1.958 20 0 CAADLO CCC(=O)NC1(CO)CC[NH+](CC(=O)NC(N)=O)CC1 ZINC001485011459 892901608 /nfs/dbraw/zinc/90/16/08/892901608.db2.gz INRQEHFGHVMVDD-UHFFFAOYSA-N 1 2 286.332 -1.466 20 0 CAADLO NC(=O)C[NH2+]CC1(O)CCN(C(=O)Cc2ncn[nH]2)CC1 ZINC001484963533 892901961 /nfs/dbraw/zinc/90/19/61/892901961.db2.gz QKNBTCWWTOMDKO-UHFFFAOYSA-N 1 2 296.331 -2.224 20 0 CAADLO COCCC(=O)NC1(CO)CC[NH+](CC(N)=O)CC1 ZINC001485011694 892903716 /nfs/dbraw/zinc/90/37/16/892903716.db2.gz KPXXZGSCEQGIFN-UHFFFAOYSA-N 1 2 273.333 -1.549 20 0 CAADLO COC(=O)NCC(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc1nnn(C)n1 ZINC001485126908 892905235 /nfs/dbraw/zinc/90/52/35/892905235.db2.gz QOAOWGAXTHGLKL-SFYZADRCSA-N 1 2 299.335 -1.451 20 0 CAADLO COC(=O)NCC(=O)N[C@H](C)[C@H](C)[NH2+]Cc1nnn(C)n1 ZINC001485126907 892907298 /nfs/dbraw/zinc/90/72/98/892907298.db2.gz QOAOWGAXTHGLKL-JGVFFNPUSA-N 1 2 299.335 -1.451 20 0 CAADLO COCCc1noc(C[NH2+][C@@H](C)[C@H](C)NC(=O)C(N)=O)n1 ZINC001485187309 892909816 /nfs/dbraw/zinc/90/98/16/892909816.db2.gz JYTOFPUYIFRBOC-YUMQZZPRSA-N 1 2 299.331 -1.273 20 0 CAADLO COCCc1noc(C[NH2+][C@H](C)[C@H](C)NC(=O)C(N)=O)n1 ZINC001485187308 892909935 /nfs/dbraw/zinc/90/99/35/892909935.db2.gz JYTOFPUYIFRBOC-SFYZADRCSA-N 1 2 299.331 -1.273 20 0 CAADLO Cc1nnc(C[NH2+][C@H](C)[C@@H](C)NC(=O)C(N)=O)o1 ZINC001485186176 892911433 /nfs/dbraw/zinc/91/14/33/892911433.db2.gz CGPBVUPJINWISZ-PHDIDXHHSA-N 1 2 255.278 -1.154 20 0 CAADLO Cc1nc(CC(=O)NC[C@@H](C)[N@H+](C)[C@@H](C)C(N)=O)n[nH]1 ZINC001485304299 892918751 /nfs/dbraw/zinc/91/87/51/892918751.db2.gz OYXLDNLOCFVAQA-SFYZADRCSA-N 1 2 282.348 -1.034 20 0 CAADLO Cc1nc(CC(=O)NC[C@@H](C)[N@@H+](C)[C@@H](C)C(N)=O)n[nH]1 ZINC001485304299 892918758 /nfs/dbraw/zinc/91/87/58/892918758.db2.gz OYXLDNLOCFVAQA-SFYZADRCSA-N 1 2 282.348 -1.034 20 0 CAADLO C[C@@H](CNC(=O)[C@@H]1COC(=O)N1)[N@H+](C)Cc1cnnn1C ZINC001485299077 892918960 /nfs/dbraw/zinc/91/89/60/892918960.db2.gz CLVBVOKKCSAMHI-WPRPVWTQSA-N 1 2 296.331 -1.140 20 0 CAADLO C[C@@H](CNC(=O)[C@@H]1COC(=O)N1)[N@@H+](C)Cc1cnnn1C ZINC001485299077 892918970 /nfs/dbraw/zinc/91/89/70/892918970.db2.gz CLVBVOKKCSAMHI-WPRPVWTQSA-N 1 2 296.331 -1.140 20 0 CAADLO COCCC(=O)NC1(CCO)C[NH+](CCCO)C1 ZINC001485392637 892921988 /nfs/dbraw/zinc/92/19/88/892921988.db2.gz CISFQVBDCGDWHT-UHFFFAOYSA-N 1 2 260.334 -1.042 20 0 CAADLO C[C@@H](NC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)C(N)=O)C1CC1 ZINC001485345702 892923001 /nfs/dbraw/zinc/92/30/01/892923001.db2.gz OLHHITLNNHVCGP-DTWKUNHWSA-N 1 2 284.360 -1.177 20 0 CAADLO C[C@@H](NC(=O)C[N@H+](C)[C@@H](C)CNC(=O)C(N)=O)C1CC1 ZINC001485345702 892923007 /nfs/dbraw/zinc/92/30/07/892923007.db2.gz OLHHITLNNHVCGP-DTWKUNHWSA-N 1 2 284.360 -1.177 20 0 CAADLO CC(C)N(C)C(=O)C[N@H+](C)[C@H](C)CNC(=O)C(N)=O ZINC001485345337 892923217 /nfs/dbraw/zinc/92/32/17/892923217.db2.gz LDFSUBYLQWNYPH-SECBINFHSA-N 1 2 272.349 -1.225 20 0 CAADLO CC(C)N(C)C(=O)C[N@@H+](C)[C@H](C)CNC(=O)C(N)=O ZINC001485345337 892923226 /nfs/dbraw/zinc/92/32/26/892923226.db2.gz LDFSUBYLQWNYPH-SECBINFHSA-N 1 2 272.349 -1.225 20 0 CAADLO CC(C)N(C)C(=O)C[N@H+](C)[C@@H](C)CNC(=O)C(N)=O ZINC001485345338 892924074 /nfs/dbraw/zinc/92/40/74/892924074.db2.gz LDFSUBYLQWNYPH-VIFPVBQESA-N 1 2 272.349 -1.225 20 0 CAADLO CC(C)N(C)C(=O)C[N@@H+](C)[C@@H](C)CNC(=O)C(N)=O ZINC001485345338 892924082 /nfs/dbraw/zinc/92/40/82/892924082.db2.gz LDFSUBYLQWNYPH-VIFPVBQESA-N 1 2 272.349 -1.225 20 0 CAADLO C[C@H](CNC(=O)C(N)=O)[N@H+](C)Cc1nc(=O)n(C)[nH]1 ZINC001485345334 892924305 /nfs/dbraw/zinc/92/43/05/892924305.db2.gz LBGSJGRKOBGJMR-ZCFIWIBFSA-N 1 2 270.293 -2.470 20 0 CAADLO C[C@H](CNC(=O)C(N)=O)[N@@H+](C)Cc1nc(=O)n(C)[nH]1 ZINC001485345334 892924315 /nfs/dbraw/zinc/92/43/15/892924315.db2.gz LBGSJGRKOBGJMR-ZCFIWIBFSA-N 1 2 270.293 -2.470 20 0 CAADLO CC(=O)NCC(=O)NC1(CCO)C[NH+](CCO)C1 ZINC001485394939 892925173 /nfs/dbraw/zinc/92/51/73/892925173.db2.gz ICAYRCGFOXABDY-UHFFFAOYSA-N 1 2 259.306 -2.332 20 0 CAADLO C[C@H](O)C[NH+]1CC(CCO)(NC(=O)c2cc[n+]([O-])cc2)C1 ZINC001485397688 892926404 /nfs/dbraw/zinc/92/64/04/892926404.db2.gz YTHUUUOZJLQDPU-NSHDSACASA-N 1 2 295.339 -1.133 20 0 CAADLO C[C@@H](O)C[NH+]1CC(CCO)(NC(=O)c2cc[n+]([O-])cc2)C1 ZINC001485397687 892927380 /nfs/dbraw/zinc/92/73/80/892927380.db2.gz YTHUUUOZJLQDPU-LLVKDONJSA-N 1 2 295.339 -1.133 20 0 CAADLO CC[NH+]1CC(CCO)(NC(=O)CN2CCOCC2)C1 ZINC001485403132 892927976 /nfs/dbraw/zinc/92/79/76/892927976.db2.gz CMZRPYXCMPXUMG-UHFFFAOYSA-N 1 2 271.361 -1.109 20 0 CAADLO C[C@@H](O)C[NH+]1CC(CCO)(NC(=O)[C@@H](C)n2cncn2)C1 ZINC001485404404 892928239 /nfs/dbraw/zinc/92/82/39/892928239.db2.gz XMOHOWKUCVVEHH-GHMZBOCLSA-N 1 2 297.359 -1.227 20 0 CAADLO Cc1c(CC(=O)NC2(CCO)C[NH+](CCO)C2)cnn1C ZINC001485407557 892928837 /nfs/dbraw/zinc/92/88/37/892928837.db2.gz ZAKPVDBFVRNTQT-UHFFFAOYSA-N 1 2 296.371 -1.184 20 0 CAADLO CO[C@H](C)C(=O)NC1(CCO)C[NH+](CCCO)C1 ZINC001485398746 892929208 /nfs/dbraw/zinc/92/92/08/892929208.db2.gz GQFDZXSXMQZMQC-SNVBAGLBSA-N 1 2 260.334 -1.043 20 0 CAADLO CCOCC[NH+]1CC(CCO)(NC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001485422416 892930800 /nfs/dbraw/zinc/93/08/00/892930800.db2.gz PRZKSNOECSTIBA-NSHDSACASA-N 1 2 299.371 -1.146 20 0 CAADLO COCC[NH+]1CC(CCO)(NC(=O)c2cn(C)c(=O)[nH]2)C1 ZINC001485415620 892931349 /nfs/dbraw/zinc/93/13/49/892931349.db2.gz WENVFDUNETWGQF-UHFFFAOYSA-N 1 2 298.343 -1.061 20 0 CAADLO CO[C@H](C)C[NH+]1CC(CCO)(NC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001485418768 892931426 /nfs/dbraw/zinc/93/14/26/892931426.db2.gz GQNQDXKRHIGSBO-MXWKQRLJSA-N 1 2 299.371 -1.304 20 0 CAADLO C[C@@H](NC(=O)CN1CCCC1=O)C1C[NH+](CC(N)=O)C1 ZINC001485493911 892931639 /nfs/dbraw/zinc/93/16/39/892931639.db2.gz SPQSHFIJRLQGIA-SECBINFHSA-N 1 2 282.344 -1.469 20 0 CAADLO CNC(=O)NC(=O)C[NH+]1CC([C@@H](C)NC(=O)COC)C1 ZINC001485487235 892932146 /nfs/dbraw/zinc/93/21/46/892932146.db2.gz XAMASNGKMDPEGV-MRVPVSSYSA-N 1 2 286.332 -1.475 20 0 CAADLO CO[C@@H](C)C[NH+]1CC(CCO)(NC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001485418766 892932230 /nfs/dbraw/zinc/93/22/30/892932230.db2.gz GQNQDXKRHIGSBO-AXFHLTTASA-N 1 2 299.371 -1.304 20 0 CAADLO C[C@H](O)C[NH+]1CC(CCO)(NC(=O)[C@]2(C)CCNC2=O)C1 ZINC001485419421 892932313 /nfs/dbraw/zinc/93/23/13/892932313.db2.gz ZJEPXWCYGCPNLG-GXFFZTMASA-N 1 2 299.371 -1.554 20 0 CAADLO O=C(Cn1cc[nH+]c1)NC1(CCO)CN(CCO)C1 ZINC001485425632 892933027 /nfs/dbraw/zinc/93/30/27/892933027.db2.gz KVISOAJPOUFACG-UHFFFAOYSA-N 1 2 268.317 -1.572 20 0 CAADLO CCNC(=O)C[NH+]1CC([C@H](C)NC(=O)CNC(C)=O)C1 ZINC001485488166 892933073 /nfs/dbraw/zinc/93/30/73/892933073.db2.gz HYFLVPFXRVUSPJ-VIFPVBQESA-N 1 2 284.360 -1.305 20 0 CAADLO C[C@H](C(N)=O)[NH+]1CC([C@H](C)NC(=O)Cc2nc[nH]n2)C1 ZINC001485527893 892934446 /nfs/dbraw/zinc/93/44/46/892934446.db2.gz AEVPXFIODCWVQX-JGVFFNPUSA-N 1 2 280.332 -1.343 20 0 CAADLO CC1(C)C[N@H+](CC(N)=O)C[C@@H]1NC(=O)CCn1ccnn1 ZINC001485567123 892934573 /nfs/dbraw/zinc/93/45/73/892934573.db2.gz IPXXLVDJXWVGNI-JTQLQIEISA-N 1 2 294.359 -1.020 20 0 CAADLO CC1(C)C[N@@H+](CC(N)=O)C[C@@H]1NC(=O)CCn1ccnn1 ZINC001485567123 892934586 /nfs/dbraw/zinc/93/45/86/892934586.db2.gz IPXXLVDJXWVGNI-JTQLQIEISA-N 1 2 294.359 -1.020 20 0 CAADLO C[C@@H](NC(=O)Cc1nc[nH]n1)C1C[NH+]([C@@H](C)C(N)=O)C1 ZINC001485527894 892935223 /nfs/dbraw/zinc/93/52/23/892935223.db2.gz AEVPXFIODCWVQX-SFYZADRCSA-N 1 2 280.332 -1.343 20 0 CAADLO CCn1nncc1C[NH+]1CC([C@H](C)NC(=O)C(N)=O)C1 ZINC001485522721 892935320 /nfs/dbraw/zinc/93/53/20/892935320.db2.gz NMVJPZBZCINABO-QMMMGPOBSA-N 1 2 280.332 -1.280 20 0 CAADLO C[C@@H](NC(=O)C(N)=O)C1C[NH+](CC(=O)N[C@@H](C)C2CC2)C1 ZINC001485516943 892935573 /nfs/dbraw/zinc/93/55/73/892935573.db2.gz NBQMIDNJNWUHQY-DTWKUNHWSA-N 1 2 296.371 -1.177 20 0 CAADLO CCNC(=O)C[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001485533920 892935699 /nfs/dbraw/zinc/93/56/99/892935699.db2.gz WKBLJSGHHMIWRO-KOLCDFICSA-N 1 2 296.371 -1.162 20 0 CAADLO C[C@H](NC(=O)C[NH+]1CC([C@H](C)NC(=O)C(N)=O)C1)C1CC1 ZINC001485516945 892935879 /nfs/dbraw/zinc/93/58/79/892935879.db2.gz NBQMIDNJNWUHQY-IUCAKERBSA-N 1 2 296.371 -1.177 20 0 CAADLO C[C@@H](NC(=O)C(N)=O)C1C[NH+](Cc2cnnn2C)C1 ZINC001485521708 892935917 /nfs/dbraw/zinc/93/59/17/892935917.db2.gz HKHOZZKIZHQZAI-SSDOTTSWSA-N 1 2 266.305 -1.763 20 0 CAADLO CNC(=O)C1(C(=O)N[C@@H]2C[N@H+](CC(N)=O)CC2(C)C)CC1 ZINC001485576399 892936803 /nfs/dbraw/zinc/93/68/03/892936803.db2.gz AZRDIAGCGQJOKF-SECBINFHSA-N 1 2 296.371 -1.176 20 0 CAADLO CNC(=O)C1(C(=O)N[C@@H]2C[N@@H+](CC(N)=O)CC2(C)C)CC1 ZINC001485576399 892936814 /nfs/dbraw/zinc/93/68/14/892936814.db2.gz AZRDIAGCGQJOKF-SECBINFHSA-N 1 2 296.371 -1.176 20 0 CAADLO NC(=O)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)CCc3nc[nH]n3)[C@@H]2C1 ZINC001485596803 892937955 /nfs/dbraw/zinc/93/79/55/892937955.db2.gz PHNOICDXTDLXRQ-OWUUHHOZSA-N 1 2 292.343 -1.483 20 0 CAADLO NC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CCc3nc[nH]n3)[C@@H]2C1 ZINC001485596803 892937968 /nfs/dbraw/zinc/93/79/68/892937968.db2.gz PHNOICDXTDLXRQ-OWUUHHOZSA-N 1 2 292.343 -1.483 20 0 CAADLO Cc1noc([C@H](C)[N@H+](C)CCOCCNC(=O)C(N)=O)n1 ZINC001485776466 892944306 /nfs/dbraw/zinc/94/43/06/892944306.db2.gz KHAWUETZZDXBIN-QMMMGPOBSA-N 1 2 299.331 -1.011 20 0 CAADLO Cc1noc([C@H](C)[N@@H+](C)CCOCCNC(=O)C(N)=O)n1 ZINC001485776466 892944322 /nfs/dbraw/zinc/94/43/22/892944322.db2.gz KHAWUETZZDXBIN-QMMMGPOBSA-N 1 2 299.331 -1.011 20 0 CAADLO Cc1nnc(C[NH2+][C@H](C)CN(C)C(=O)[C@@H]2CNC(=O)N2)o1 ZINC001485915823 892951854 /nfs/dbraw/zinc/95/18/54/892951854.db2.gz FCNHTDKXUNZLQI-APPZFPTMSA-N 1 2 296.331 -1.004 20 0 CAADLO COCC(=O)NC[C@H](CO)[NH2+]Cc1noc2c1COCC2 ZINC001485966081 892954407 /nfs/dbraw/zinc/95/44/07/892954407.db2.gz STQXXQYJAQZVNR-SECBINFHSA-N 1 2 299.327 -1.040 20 0 CAADLO Cn1ncnc1C[NH2+][C@H](CO)CNC(=O)C1CC1 ZINC001485966834 892955511 /nfs/dbraw/zinc/95/55/11/892955511.db2.gz CKQURRXBNFDJIF-VIFPVBQESA-N 1 2 253.306 -1.208 20 0 CAADLO Cn1nnnc1C[NH2+][C@@H](CO)CNC(=O)c1cccnc1 ZINC001485969019 892956958 /nfs/dbraw/zinc/95/69/58/892956958.db2.gz KALDZSUJPNPOKV-SNVBAGLBSA-N 1 2 291.315 -1.514 20 0 CAADLO Cn1cc(C(=O)NC[C@@H](CO)[NH2+]Cc2cn(C)nn2)cn1 ZINC001485973772 892959200 /nfs/dbraw/zinc/95/92/00/892959200.db2.gz XEYPMHLPGVKYCT-NSHDSACASA-N 1 2 293.331 -1.571 20 0 CAADLO CC(=O)NCC(=O)NC[C@H](CO)[NH2+][C@H](C)c1ncccn1 ZINC001485969474 892959626 /nfs/dbraw/zinc/95/96/26/892959626.db2.gz MVXBCEROMQOHNC-MWLCHTKSSA-N 1 2 295.343 -1.260 20 0 CAADLO CC(=O)NCC(=O)NC[C@H](CO)[NH2+]Cc1nonc1C ZINC001485969794 892961528 /nfs/dbraw/zinc/96/15/28/892961528.db2.gz PFLFVERBQRPDJO-SECBINFHSA-N 1 2 285.304 -1.919 20 0 CAADLO CCn1ncnc1C[NH2+][C@@H](CO)CNC(=O)CNC(C)=O ZINC001485970143 892961851 /nfs/dbraw/zinc/96/18/51/892961851.db2.gz RQVGTVKIVBPLBQ-SNVBAGLBSA-N 1 2 298.347 -1.999 20 0 CAADLO Cc1nc(C[NH2+][C@H](CO)CNC(=O)[C@@H]2COCCO2)co1 ZINC001485975793 892964224 /nfs/dbraw/zinc/96/42/24/892964224.db2.gz HINQBKDNEBSXID-JQWIXIFHSA-N 1 2 299.327 -1.035 20 0 CAADLO Cn1cc(C[NH2+][C@@H](CO)CNC(=O)c2cnns2)nn1 ZINC001485978425 892964442 /nfs/dbraw/zinc/96/44/42/892964442.db2.gz ZLIMCQVXIHXAHM-MRVPVSSYSA-N 1 2 297.344 -1.453 20 0 CAADLO Cc1nc(C[NH2+][C@H](CO)CNC(=O)[C@H]2COCCO2)co1 ZINC001485975772 892964754 /nfs/dbraw/zinc/96/47/54/892964754.db2.gz HINQBKDNEBSXID-CMPLNLGQSA-N 1 2 299.327 -1.035 20 0 CAADLO Cn1ncnc1C[NH2+][C@@H](CO)CNC(=O)C[C@@H]1CCCO1 ZINC001485978002 892964859 /nfs/dbraw/zinc/96/48/59/892964859.db2.gz YDHCOBDYNJJUSE-MNOVXSKESA-N 1 2 297.359 -1.049 20 0 CAADLO CC(C)C(=O)NC[C@@H](CO)[NH2+]Cc1nnnn1C ZINC001485975478 892965088 /nfs/dbraw/zinc/96/50/88/892965088.db2.gz RJTSOVPNMNPVOB-QMMMGPOBSA-N 1 2 256.310 -1.567 20 0 CAADLO Cc1cc(C(=O)NC[C@H](CO)[NH2+]Cc2cn(C)nn2)[nH]n1 ZINC001485977257 892965945 /nfs/dbraw/zinc/96/59/45/892965945.db2.gz MGGSUSKDYGVKMS-SNVBAGLBSA-N 1 2 293.331 -1.273 20 0 CAADLO Cn1nnnc1C[NH2+][C@H](CO)CNC(=O)C[C@@H]1CCOC1 ZINC001485982412 892966984 /nfs/dbraw/zinc/96/69/84/892966984.db2.gz LPLDDVQJQGQMGD-UWVGGRQHSA-N 1 2 298.347 -1.797 20 0 CAADLO Cn1cc(C[NH2+][C@H](CO)CNC(=O)Cc2ccon2)nn1 ZINC001485981954 892967151 /nfs/dbraw/zinc/96/71/51/892967151.db2.gz HLKAZTGXOVDLCB-NSHDSACASA-N 1 2 294.315 -1.388 20 0 CAADLO CC(C)OCC(=O)NC[C@H](CO)[NH2+]Cc1cnn(C)n1 ZINC001485980953 892969066 /nfs/dbraw/zinc/96/90/66/892969066.db2.gz VEYIQNRZDQMJNL-LLVKDONJSA-N 1 2 285.348 -1.193 20 0 CAADLO CC1CC(C(=O)NC[C@H](CO)[NH2+]Cc2nnnn2C)C1 ZINC001485985526 892971456 /nfs/dbraw/zinc/97/14/56/892971456.db2.gz DJFPRWBVMPBLOF-UDNWOFFPSA-N 1 2 282.348 -1.177 20 0 CAADLO Cn1nnnc1C[NH2+][C@H](CO)CNC(=O)[C@@H]1CCCCO1 ZINC001485987452 892971489 /nfs/dbraw/zinc/97/14/89/892971489.db2.gz NMQBNKDWIRRQOG-UWVGGRQHSA-N 1 2 298.347 -1.654 20 0 CAADLO CC1CC(C(=O)NC[C@@H](CO)[NH2+]Cc2nnnn2C)C1 ZINC001485985525 892973896 /nfs/dbraw/zinc/97/38/96/892973896.db2.gz DJFPRWBVMPBLOF-RTBKNWGFSA-N 1 2 282.348 -1.177 20 0 CAADLO Cn1cc(C[NH2+][C@@H](CO)CNC(=O)CC2(O)CCC2)nn1 ZINC001485994170 892977320 /nfs/dbraw/zinc/97/73/20/892977320.db2.gz SEZSIHZJBUGYQL-LLVKDONJSA-N 1 2 297.359 -1.313 20 0 CAADLO Cc1nc(C[NH2+][C@@H](CO)CNC(=O)Cn2ncnn2)co1 ZINC001485995742 892977466 /nfs/dbraw/zinc/97/74/66/892977466.db2.gz AWCGLQBYKKSUIL-SECBINFHSA-N 1 2 295.303 -1.764 20 0 CAADLO Cc1nc(C[NH2+][C@H](CO)CNC(=O)Cn2ncnn2)co1 ZINC001485995756 892977547 /nfs/dbraw/zinc/97/75/47/892977547.db2.gz AWCGLQBYKKSUIL-VIFPVBQESA-N 1 2 295.303 -1.764 20 0 CAADLO CNC(=O)NCC(=O)NC[C@@H](CO)[NH2+]Cc1ncnn1C ZINC001486002680 892980196 /nfs/dbraw/zinc/98/01/96/892980196.db2.gz RXGHCQBKHDBFMS-QMMMGPOBSA-N 1 2 299.335 -2.689 20 0 CAADLO O=C(C[C@H]1CCNC1=O)NC[C@H](CO)[NH2+]Cc1ccon1 ZINC001486002506 892980639 /nfs/dbraw/zinc/98/06/39/892980639.db2.gz RVRXWOUEVYIKJQ-MWLCHTKSSA-N 1 2 296.327 -1.233 20 0 CAADLO Cc1nn[nH]c1C(=O)NC[C@H](CO)[NH2+]Cc1cnn(C)n1 ZINC001486022809 892987207 /nfs/dbraw/zinc/98/72/07/892987207.db2.gz JRYMYLVZTVOHHU-SECBINFHSA-N 1 2 294.319 -1.878 20 0 CAADLO Cn1nnnc1C[NH2+][C@@H](CO)CNC(=O)Cc1cnoc1 ZINC001486027040 892990486 /nfs/dbraw/zinc/99/04/86/892990486.db2.gz XYLOHACYBSEXLS-SECBINFHSA-N 1 2 295.303 -1.993 20 0 CAADLO Cn1ncc(C[NH2+][C@H](CO)CNC(=O)C2(C(N)=O)CC2)n1 ZINC001486030003 892990713 /nfs/dbraw/zinc/99/07/13/892990713.db2.gz NHPFIMSMCKZMOI-VIFPVBQESA-N 1 2 296.331 -2.353 20 0 CAADLO NC(=O)C(=O)NC[C@H](CO)[NH2+]Cc1cc(C2CC2)no1 ZINC001486029559 892991420 /nfs/dbraw/zinc/99/14/20/892991420.db2.gz BFDGLFSLRQLPMT-MRVPVSSYSA-N 1 2 282.300 -1.396 20 0 CAADLO CN(C[C@@H](O)C[NH2+]CC(N)=O)C(=O)C(F)C(F)(F)F ZINC001486276965 893028535 /nfs/dbraw/zinc/02/85/35/893028535.db2.gz BNYKXFVDGKTEQV-FSPLSTOPSA-N 1 2 289.229 -1.219 20 0 CAADLO CN(C[C@@H](O)C[NH2+]CC(N)=O)C(=O)[C@H](F)C(F)(F)F ZINC001486276965 893028558 /nfs/dbraw/zinc/02/85/58/893028558.db2.gz BNYKXFVDGKTEQV-FSPLSTOPSA-N 1 2 289.229 -1.219 20 0 CAADLO Cn1nnnc1C[NH2+][C@@H](CO)CNC(=O)c1n[nH]cc1F ZINC001486031686 892993326 /nfs/dbraw/zinc/99/33/26/892993326.db2.gz IHNPMCUIVMUPPB-ZCFIWIBFSA-N 1 2 298.282 -2.047 20 0 CAADLO Cc1conc1C[NH2+][C@H](CO)CNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001486034643 892993377 /nfs/dbraw/zinc/99/33/77/892993377.db2.gz SJCBTAPYPHYJML-AEJSXWLSSA-N 1 2 296.327 -1.329 20 0 CAADLO NC(=O)C(=O)NC[C@H](CO)[NH2+]Cc1nc2ccccc2o1 ZINC001486031611 892994702 /nfs/dbraw/zinc/99/47/02/892994702.db2.gz URIMDQIBMHNMIG-MRVPVSSYSA-N 1 2 292.295 -1.120 20 0 CAADLO O=C(NC[C@@H](CO)[NH2+]CCn1cncn1)c1[nH]ncc1F ZINC001486032040 892994736 /nfs/dbraw/zinc/99/47/36/892994736.db2.gz MLBCAHVFTMSKNA-QMMMGPOBSA-N 1 2 297.294 -1.479 20 0 CAADLO Cc1conc1C[NH2+][C@@H](CO)CNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001486034644 892995378 /nfs/dbraw/zinc/99/53/78/892995378.db2.gz SJCBTAPYPHYJML-BBBLOLIVSA-N 1 2 296.327 -1.329 20 0 CAADLO O=C(NC[C@H](CO)[NH2+]Cc1ccon1)c1cnon1 ZINC001486044593 892997788 /nfs/dbraw/zinc/99/77/88/892997788.db2.gz RHLNMCFRRFEULZ-MRVPVSSYSA-N 1 2 267.245 -1.062 20 0 CAADLO Cn1cnnc1C[NH2+][C@@H](CO)CNC(=O)c1ncccn1 ZINC001486046077 892998047 /nfs/dbraw/zinc/99/80/47/892998047.db2.gz HVSPCZXREKWHHP-SECBINFHSA-N 1 2 291.315 -1.514 20 0 CAADLO Cn1cncc1C[NH2+][C@@H](CO)CNC(=O)c1ncn[nH]1 ZINC001486043227 892998128 /nfs/dbraw/zinc/99/81/28/892998128.db2.gz JEBHEXOHEPNIPZ-MRVPVSSYSA-N 1 2 279.304 -1.581 20 0 CAADLO Cn1cncc1C[NH2+][C@@H](CO)CNC(=O)c1nc[nH]n1 ZINC001486043227 892998138 /nfs/dbraw/zinc/99/81/38/892998138.db2.gz JEBHEXOHEPNIPZ-MRVPVSSYSA-N 1 2 279.304 -1.581 20 0 CAADLO Cn1cc(C[NH2+][C@@H](CO)CNC(=O)Cc2ncc[nH]2)nn1 ZINC001486049110 892998350 /nfs/dbraw/zinc/99/83/50/892998350.db2.gz YBUVTIDNBJFGPZ-SNVBAGLBSA-N 1 2 293.331 -1.652 20 0 CAADLO Cc1cc(C[NH2+][C@H](CO)CNC(=O)c2nnc[nH]2)ncn1 ZINC001486044754 892998510 /nfs/dbraw/zinc/99/85/10/892998510.db2.gz SLMPYPURNCPQLD-JTQLQIEISA-N 1 2 291.315 -1.216 20 0 CAADLO Cn1cncc1C[NH2+][C@H](CO)CNC(=O)c1ncn[nH]1 ZINC001486043229 892998579 /nfs/dbraw/zinc/99/85/79/892998579.db2.gz JEBHEXOHEPNIPZ-QMMMGPOBSA-N 1 2 279.304 -1.581 20 0 CAADLO Cn1cncc1C[NH2+][C@H](CO)CNC(=O)c1nc[nH]n1 ZINC001486043229 892998582 /nfs/dbraw/zinc/99/85/82/892998582.db2.gz JEBHEXOHEPNIPZ-QMMMGPOBSA-N 1 2 279.304 -1.581 20 0 CAADLO Cn1nnnc1CN[C@H](CO)CNC(=O)Cn1cc[nH+]c1 ZINC001486066288 893008158 /nfs/dbraw/zinc/00/81/58/893008158.db2.gz QYQIEQZRTYGZAS-VIFPVBQESA-N 1 2 294.319 -2.327 20 0 CAADLO CN(C[C@H](O)C[NH2+]CC(N)=O)C(=O)C(F)C(F)(F)F ZINC001486276967 893032706 /nfs/dbraw/zinc/03/27/06/893032706.db2.gz BNYKXFVDGKTEQV-VDTYLAMSSA-N 1 2 289.229 -1.219 20 0 CAADLO CN(C[C@H](O)C[NH2+]CC(N)=O)C(=O)[C@H](F)C(F)(F)F ZINC001486276967 893032728 /nfs/dbraw/zinc/03/27/28/893032728.db2.gz BNYKXFVDGKTEQV-VDTYLAMSSA-N 1 2 289.229 -1.219 20 0 CAADLO CN(C[C@H](O)C[NH2+]Cc1cnsn1)C(=O)C(N)=O ZINC001486298382 893039581 /nfs/dbraw/zinc/03/95/81/893039581.db2.gz ODPREPAKUIOFKL-SSDOTTSWSA-N 1 2 273.318 -2.068 20 0 CAADLO CNC(=O)[C@H](C)[NH2+]C[C@@H](O)CN(C)C(=O)Cc1ncn[nH]1 ZINC001486310267 893046080 /nfs/dbraw/zinc/04/60/80/893046080.db2.gz SKEDOVQBUJBWNV-DTWKUNHWSA-N 1 2 298.347 -2.109 20 0 CAADLO COCC[N@H+](CCNC(=O)c1cnco1)CC(N)=O ZINC001486430370 893064839 /nfs/dbraw/zinc/06/48/39/893064839.db2.gz XBDFYHCREUXDRY-UHFFFAOYSA-N 1 2 270.289 -1.162 20 0 CAADLO COCC[N@@H+](CCNC(=O)c1cnco1)CC(N)=O ZINC001486430370 893064852 /nfs/dbraw/zinc/06/48/52/893064852.db2.gz XBDFYHCREUXDRY-UHFFFAOYSA-N 1 2 270.289 -1.162 20 0 CAADLO CNC(=O)C[N@H+](CCNC(=O)c1cncn1C)CCOC ZINC001486430324 893065652 /nfs/dbraw/zinc/06/56/52/893065652.db2.gz VLUFDTKERKJBMU-UHFFFAOYSA-N 1 2 297.359 -1.156 20 0 CAADLO CNC(=O)C[N@@H+](CCNC(=O)c1cncn1C)CCOC ZINC001486430324 893065672 /nfs/dbraw/zinc/06/56/72/893065672.db2.gz VLUFDTKERKJBMU-UHFFFAOYSA-N 1 2 297.359 -1.156 20 0 CAADLO COCC[N@H+](CCNC(=O)[C@H]1[C@@H]2COC[C@@H]21)[C@@H](C)C(N)=O ZINC001486431155 893065859 /nfs/dbraw/zinc/06/58/59/893065859.db2.gz UUNCXZBMWSCKIA-NNYUYHANSA-N 1 2 299.371 -1.183 20 0 CAADLO COCC[N@@H+](CCNC(=O)[C@H]1[C@@H]2COC[C@@H]21)[C@@H](C)C(N)=O ZINC001486431155 893065878 /nfs/dbraw/zinc/06/58/78/893065878.db2.gz UUNCXZBMWSCKIA-NNYUYHANSA-N 1 2 299.371 -1.183 20 0 CAADLO COCC[N@H+](CCNC(=O)c1c[nH]nc1C)CC(N)=O ZINC001486431399 893066730 /nfs/dbraw/zinc/06/67/30/893066730.db2.gz ZRPNHCWTTWGRIM-UHFFFAOYSA-N 1 2 283.332 -1.118 20 0 CAADLO COCC[N@@H+](CCNC(=O)c1c[nH]nc1C)CC(N)=O ZINC001486431399 893066744 /nfs/dbraw/zinc/06/67/44/893066744.db2.gz ZRPNHCWTTWGRIM-UHFFFAOYSA-N 1 2 283.332 -1.118 20 0 CAADLO COCC[N@H+](CCNC(=O)c1nonc1C)CC(N)=O ZINC001486433473 893068048 /nfs/dbraw/zinc/06/80/48/893068048.db2.gz DGGVVDCFNBEVLL-UHFFFAOYSA-N 1 2 285.304 -1.458 20 0 CAADLO COCC[N@@H+](CCNC(=O)c1nonc1C)CC(N)=O ZINC001486433473 893068066 /nfs/dbraw/zinc/06/80/66/893068066.db2.gz DGGVVDCFNBEVLL-UHFFFAOYSA-N 1 2 285.304 -1.458 20 0 CAADLO Cn1nnc(C[NH2+]C[C@@H](NC(=O)CC(N)=O)C(C)(C)C)n1 ZINC001486391165 893068796 /nfs/dbraw/zinc/06/87/96/893068796.db2.gz ROEKWMNFLMMYAU-MRVPVSSYSA-N 1 2 297.363 -1.294 20 0 CAADLO CC(C)N(CC[N@H+](C)CC(N)=O)C(=O)[C@@H]1CNC(=O)N1 ZINC001486374633 893070615 /nfs/dbraw/zinc/07/06/15/893070615.db2.gz DJRIGKPIBPZCBU-VIFPVBQESA-N 1 2 285.348 -1.678 20 0 CAADLO CC(C)N(CC[N@@H+](C)CC(N)=O)C(=O)[C@@H]1CNC(=O)N1 ZINC001486374633 893070639 /nfs/dbraw/zinc/07/06/39/893070639.db2.gz DJRIGKPIBPZCBU-VIFPVBQESA-N 1 2 285.348 -1.678 20 0 CAADLO CC(C)N(CC[N@H+](C)CC(N)=O)C(=O)c1nnn(C)n1 ZINC001486374385 893071058 /nfs/dbraw/zinc/07/10/58/893071058.db2.gz WMAAEGYWTNPURJ-UHFFFAOYSA-N 1 2 283.336 -1.522 20 0 CAADLO CC(C)N(CC[N@@H+](C)CC(N)=O)C(=O)c1nnn(C)n1 ZINC001486374385 893071080 /nfs/dbraw/zinc/07/10/80/893071080.db2.gz WMAAEGYWTNPURJ-UHFFFAOYSA-N 1 2 283.336 -1.522 20 0 CAADLO Cn1nnc(C[NH2+]C[C@H](NC(=O)CC(N)=O)C(C)(C)C)n1 ZINC001486391166 893071372 /nfs/dbraw/zinc/07/13/72/893071372.db2.gz ROEKWMNFLMMYAU-QMMMGPOBSA-N 1 2 297.363 -1.294 20 0 CAADLO Cn1c[nH+]cc1CC(=O)NCC1CC(NC(=O)C(N)=O)C1 ZINC001486617245 893073163 /nfs/dbraw/zinc/07/31/63/893073163.db2.gz XENLWGRSFSFUQH-UHFFFAOYSA-N 1 2 293.327 -1.541 20 0 CAADLO C[C@H](CNC(=O)Cc1c[nH+]cn1C)N(C)C(=O)C(N)=O ZINC001486935328 893083126 /nfs/dbraw/zinc/08/31/26/893083126.db2.gz QGBCMWSGKOHAPP-MRVPVSSYSA-N 1 2 281.316 -1.589 20 0 CAADLO C[C@@H](CCCNC(=O)C(N)=O)NC(=O)Cn1cc[nH+]c1 ZINC001487513540 893096854 /nfs/dbraw/zinc/09/68/54/893096854.db2.gz KMTNXWMVNIHBBV-VIFPVBQESA-N 1 2 281.316 -1.231 20 0 CAADLO C[C@H](CN(C)C(=O)C(N)=O)NC(=O)CCc1[nH]cc[nH+]1 ZINC001487891497 893106077 /nfs/dbraw/zinc/10/60/77/893106077.db2.gz ZEFAZGFRPMLJPT-MRVPVSSYSA-N 1 2 281.316 -1.209 20 0 CAADLO CO[C@H](C)C(=O)NC[C@H](CO)NC(=O)CCn1cc[nH+]c1 ZINC001487953902 893116621 /nfs/dbraw/zinc/11/66/21/893116621.db2.gz BZXPYCZZFUGJRA-GHMZBOCLSA-N 1 2 298.343 -1.099 20 0 CAADLO CO[C@@H](C)C(=O)NC[C@@H](CO)NC(=O)CCn1cc[nH+]c1 ZINC001487953904 893118180 /nfs/dbraw/zinc/11/81/80/893118180.db2.gz BZXPYCZZFUGJRA-QWRGUYRKSA-N 1 2 298.343 -1.099 20 0 CAADLO C[C@@H](CC(=O)NC[C@H](CO)NC(=O)C(N)=O)n1cc[nH+]c1 ZINC001487994582 893129319 /nfs/dbraw/zinc/12/93/19/893129319.db2.gz AIPFKELNFWFJLX-DTWKUNHWSA-N 1 2 297.315 -2.087 20 0 CAADLO CO[C@@H](C)CC(=O)N[C@H](CO)CNC(=O)Cn1cc[nH+]c1 ZINC001488030350 893132898 /nfs/dbraw/zinc/13/28/98/893132898.db2.gz RTBNSFPYQCDZLU-QWRGUYRKSA-N 1 2 298.343 -1.099 20 0 CAADLO CO[C@H](C)CC(=O)N[C@H](CO)CNC(=O)Cn1cc[nH+]c1 ZINC001488030349 893132990 /nfs/dbraw/zinc/13/29/90/893132990.db2.gz RTBNSFPYQCDZLU-MNOVXSKESA-N 1 2 298.343 -1.099 20 0 CAADLO C[C@@H](CC(=O)N[C@H](CO)CNC(=O)C(N)=O)n1cc[nH+]c1 ZINC001488081397 893142013 /nfs/dbraw/zinc/14/20/13/893142013.db2.gz QZIVMWAHCSTVQS-IUCAKERBSA-N 1 2 297.315 -2.087 20 0 CAADLO O=C(Cc1[nH]cc[nH+]1)NC[C@@H](CO)NC(=O)c1ccn[nH]1 ZINC001488077016 893142370 /nfs/dbraw/zinc/14/23/70/893142370.db2.gz DNRFXZDPNIBDCT-QMMMGPOBSA-N 1 2 292.299 -1.418 20 0 CAADLO CC(C)OCC(=O)N[C@H](CO)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001488077993 893142836 /nfs/dbraw/zinc/14/28/36/893142836.db2.gz NKMGSKJOIJRZKM-JTQLQIEISA-N 1 2 298.343 -1.030 20 0 CAADLO O=C(Cc1c[nH]c[nH+]1)NC[C@H](CO)NC(=O)C(F)F ZINC001488111147 893147737 /nfs/dbraw/zinc/14/77/37/893147737.db2.gz NEOJCEKGSMFCPL-SSDOTTSWSA-N 1 2 276.243 -1.189 20 0 CAADLO COC[C@@H](C)C(=O)N[C@H](CO)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001488109740 893148833 /nfs/dbraw/zinc/14/88/33/893148833.db2.gz DVBPEZHLZAJOOU-KOLCDFICSA-N 1 2 298.343 -1.172 20 0 CAADLO COCC(=O)NC[C@H](O)CN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001488413812 893160505 /nfs/dbraw/zinc/16/05/05/893160505.db2.gz JMNZDPYTDCCYHN-JTQLQIEISA-N 1 2 284.316 -1.466 20 0 CAADLO COCCN(CCNC(=O)Cc1[nH]cc[nH+]1)C(=O)C(N)=O ZINC001488541817 893161433 /nfs/dbraw/zinc/16/14/33/893161433.db2.gz BKTLRYQBQMGGGO-UHFFFAOYSA-N 1 2 297.315 -1.971 20 0 CAADLO Cn1nnc(C[NH2+][C@H]2C[C@@H](CNC(=O)CC(N)=O)C2)n1 ZINC001488718661 893163891 /nfs/dbraw/zinc/16/38/91/893163891.db2.gz SGGRGBPFCQPCCD-OCAPTIKFSA-N 1 2 281.320 -1.930 20 0 CAADLO CC(=O)N1CCC[C@@H]([N@@H+](CCO)Cc2nc(=O)n(C)[nH]2)C1 ZINC001489153741 893172546 /nfs/dbraw/zinc/17/25/46/893172546.db2.gz UMCOOIKVTKRUNY-LLVKDONJSA-N 1 2 297.359 -1.086 20 0 CAADLO CC(=O)N1CCC[C@@H]([N@H+](CCO)Cc2nc(=O)n(C)[nH]2)C1 ZINC001489153741 893172553 /nfs/dbraw/zinc/17/25/53/893172553.db2.gz UMCOOIKVTKRUNY-LLVKDONJSA-N 1 2 297.359 -1.086 20 0 CAADLO COCCC(=O)N[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1O ZINC001489280123 893176403 /nfs/dbraw/zinc/17/64/03/893176403.db2.gz HLDDQAWSPYSAFF-GHMZBOCLSA-N 1 2 296.327 -1.323 20 0 CAADLO C[C@@H]1[C@@H](NC(=O)C(N)=O)CC[N@@H+]1CC(=O)N(C)CC1CC1 ZINC001489287987 893176669 /nfs/dbraw/zinc/17/66/69/893176669.db2.gz YPDPTPKHYXRLRN-KOLCDFICSA-N 1 2 296.371 -1.081 20 0 CAADLO C[C@@H]1[C@@H](NC(=O)C(N)=O)CC[N@H+]1CC(=O)N(C)CC1CC1 ZINC001489287987 893176673 /nfs/dbraw/zinc/17/66/73/893176673.db2.gz YPDPTPKHYXRLRN-KOLCDFICSA-N 1 2 296.371 -1.081 20 0 CAADLO CCC[C@@H](NC(N)=O)C(=O)N[C@H]1CC[N@H+](CC(N)=O)[C@@H]1C ZINC001489307973 893179673 /nfs/dbraw/zinc/17/96/73/893179673.db2.gz WIGIXKZGYWYUMY-KXUCPTDWSA-N 1 2 299.375 -1.112 20 0 CAADLO CCC[C@@H](NC(N)=O)C(=O)N[C@H]1CC[N@@H+](CC(N)=O)[C@@H]1C ZINC001489307973 893179680 /nfs/dbraw/zinc/17/96/80/893179680.db2.gz WIGIXKZGYWYUMY-KXUCPTDWSA-N 1 2 299.375 -1.112 20 0 CAADLO CNC(=O)NCC(=O)NCCC[N@H+](C)Cc1cnn(C)n1 ZINC001490204973 893194079 /nfs/dbraw/zinc/19/40/79/893194079.db2.gz UIYUVIDBBUFGJR-UHFFFAOYSA-N 1 2 297.363 -1.318 20 0 CAADLO CNC(=O)NCC(=O)NCCC[N@@H+](C)Cc1cnn(C)n1 ZINC001490204973 893194088 /nfs/dbraw/zinc/19/40/88/893194088.db2.gz UIYUVIDBBUFGJR-UHFFFAOYSA-N 1 2 297.363 -1.318 20 0 CAADLO C[C@H](c1nncn1C)[N@H+](C)CCCNC(=O)C(N)=O ZINC001490245123 893195025 /nfs/dbraw/zinc/19/50/25/893195025.db2.gz JUZBHKJXBYVDBO-MRVPVSSYSA-N 1 2 268.321 -1.201 20 0 CAADLO C[C@H](c1nncn1C)[N@@H+](C)CCCNC(=O)C(N)=O ZINC001490245123 893195032 /nfs/dbraw/zinc/19/50/32/893195032.db2.gz JUZBHKJXBYVDBO-MRVPVSSYSA-N 1 2 268.321 -1.201 20 0 CAADLO CCCn1nnnc1C[N@H+](CC)CCCNC(=O)C(N)=O ZINC001490342890 893200198 /nfs/dbraw/zinc/20/01/98/893200198.db2.gz KTZXSVCOHWPIMZ-UHFFFAOYSA-N 1 2 297.363 -1.103 20 0 CAADLO CCCn1nnnc1C[N@@H+](CC)CCCNC(=O)C(N)=O ZINC001490342890 893200211 /nfs/dbraw/zinc/20/02/11/893200211.db2.gz KTZXSVCOHWPIMZ-UHFFFAOYSA-N 1 2 297.363 -1.103 20 0 CAADLO CCNC(=O)CN1CC[NH+](CCNC(C)=O)CC1 ZINC001490478760 893200243 /nfs/dbraw/zinc/20/02/43/893200243.db2.gz KIRMRDJBMYRCSJ-UHFFFAOYSA-N 1 2 256.350 -1.124 20 0 CAADLO CC[N@H+](CCCNC(=O)CC(N)=O)Cc1nnnn1C ZINC001490319230 893200738 /nfs/dbraw/zinc/20/07/38/893200738.db2.gz WRTHFRYNLIDRLR-UHFFFAOYSA-N 1 2 283.336 -1.586 20 0 CAADLO CC[N@@H+](CCCNC(=O)CC(N)=O)Cc1nnnn1C ZINC001490319230 893200758 /nfs/dbraw/zinc/20/07/58/893200758.db2.gz WRTHFRYNLIDRLR-UHFFFAOYSA-N 1 2 283.336 -1.586 20 0 CAADLO CNC(=O)NC(=O)[C@H](C)N1CC[NH+](CCNC(C)=O)CC1 ZINC001490478559 893201126 /nfs/dbraw/zinc/20/11/26/893201126.db2.gz IHRRXMMMPACMHO-JTQLQIEISA-N 1 2 299.375 -1.416 20 0 CAADLO CNC(=O)NC(=O)[C@@H](C)N1CC[NH+](CCNC(C)=O)CC1 ZINC001490478560 893201644 /nfs/dbraw/zinc/20/16/44/893201644.db2.gz IHRRXMMMPACMHO-SNVBAGLBSA-N 1 2 299.375 -1.416 20 0 CAADLO Cn1cc(CCC(=O)N[C@H]2CCC[N@H+](CC(N)=O)C2)nn1 ZINC001490461468 893201582 /nfs/dbraw/zinc/20/15/82/893201582.db2.gz XPTGXWRDRPPSET-JTQLQIEISA-N 1 2 294.359 -1.186 20 0 CAADLO Cn1cc(CCC(=O)N[C@H]2CCC[N@@H+](CC(N)=O)C2)nn1 ZINC001490461468 893201600 /nfs/dbraw/zinc/20/16/00/893201600.db2.gz XPTGXWRDRPPSET-JTQLQIEISA-N 1 2 294.359 -1.186 20 0 CAADLO NC(=O)C[N@H+](CCCNC(=O)c1ncn[nH]1)C1CC1 ZINC001490389349 893203548 /nfs/dbraw/zinc/20/35/48/893203548.db2.gz FAZAYCCXYCFHEN-UHFFFAOYSA-N 1 2 266.305 -1.126 20 0 CAADLO NC(=O)C[N@@H+](CCCNC(=O)c1ncn[nH]1)C1CC1 ZINC001490389349 893203564 /nfs/dbraw/zinc/20/35/64/893203564.db2.gz FAZAYCCXYCFHEN-UHFFFAOYSA-N 1 2 266.305 -1.126 20 0 CAADLO NC(=O)C[N@H+](CCCNC(=O)c1nc[nH]n1)C1CC1 ZINC001490389349 893203581 /nfs/dbraw/zinc/20/35/81/893203581.db2.gz FAZAYCCXYCFHEN-UHFFFAOYSA-N 1 2 266.305 -1.126 20 0 CAADLO NC(=O)C[N@@H+](CCCNC(=O)c1nc[nH]n1)C1CC1 ZINC001490389349 893203597 /nfs/dbraw/zinc/20/35/97/893203597.db2.gz FAZAYCCXYCFHEN-UHFFFAOYSA-N 1 2 266.305 -1.126 20 0 CAADLO CC(C)(C)NC(=O)C[N@@H+]1CCC[C@H](NC(=O)C(N)=O)C1 ZINC001490448717 893203645 /nfs/dbraw/zinc/20/36/45/893203645.db2.gz CQNNBGHKBPAFJO-VIFPVBQESA-N 1 2 284.360 -1.033 20 0 CAADLO CC(C)(C)NC(=O)C[N@H+]1CCC[C@H](NC(=O)C(N)=O)C1 ZINC001490448717 893203663 /nfs/dbraw/zinc/20/36/63/893203663.db2.gz CQNNBGHKBPAFJO-VIFPVBQESA-N 1 2 284.360 -1.033 20 0 CAADLO C[C@H](C(N)=O)[NH+]1CCN(CCNC(=O)c2cocn2)CC1 ZINC001490486066 893205219 /nfs/dbraw/zinc/20/52/19/893205219.db2.gz MREHYBBJIIUTDX-SNVBAGLBSA-N 1 2 295.343 -1.104 20 0 CAADLO C[C@H](C(N)=O)[NH+]1CCN(CCNC(=O)[C@@H]2CCOC2)CC1 ZINC001490485020 893208181 /nfs/dbraw/zinc/20/81/81/893208181.db2.gz OTEKEXZZLFOTNH-VXGBXAGGSA-N 1 2 298.387 -1.370 20 0 CAADLO CS(=O)(=O)CCC[N@@H+]1CC[C@@H](NC(=O)CC(N)=O)C1 ZINC001490529811 893209120 /nfs/dbraw/zinc/20/91/20/893209120.db2.gz GFLMOUOSMRONMW-SECBINFHSA-N 1 2 291.373 -1.513 20 0 CAADLO CS(=O)(=O)CCC[N@H+]1CC[C@@H](NC(=O)CC(N)=O)C1 ZINC001490529811 893209141 /nfs/dbraw/zinc/20/91/41/893209141.db2.gz GFLMOUOSMRONMW-SECBINFHSA-N 1 2 291.373 -1.513 20 0 CAADLO C[C@@H](C(N)=O)[NH+]1CCN(CCNC(=O)[C@@H]2CCOC2)CC1 ZINC001490485018 893210130 /nfs/dbraw/zinc/21/01/30/893210130.db2.gz OTEKEXZZLFOTNH-NWDGAFQWSA-N 1 2 298.387 -1.370 20 0 CAADLO Cn1nncc1C[N@@H+]1CC[C@H](NC(=O)CCNC(N)=O)C1 ZINC001490573782 893210949 /nfs/dbraw/zinc/21/09/49/893210949.db2.gz DEAWGENGMBAQHH-VIFPVBQESA-N 1 2 295.347 -1.436 20 0 CAADLO Cn1nncc1C[N@H+]1CC[C@H](NC(=O)CCNC(N)=O)C1 ZINC001490573782 893210965 /nfs/dbraw/zinc/21/09/65/893210965.db2.gz DEAWGENGMBAQHH-VIFPVBQESA-N 1 2 295.347 -1.436 20 0 CAADLO CNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@H](NC(=O)C(N)=O)C1 ZINC001490558129 893211929 /nfs/dbraw/zinc/21/19/29/893211929.db2.gz ADHHSMMKAONQQE-NKWVEPMBSA-N 1 2 285.304 -2.494 20 0 CAADLO CNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@@H](NC(=O)C(N)=O)C1 ZINC001490558129 893211945 /nfs/dbraw/zinc/21/19/45/893211945.db2.gz ADHHSMMKAONQQE-NKWVEPMBSA-N 1 2 285.304 -2.494 20 0 CAADLO CNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)C(N)=O)C1 ZINC001490558130 893212517 /nfs/dbraw/zinc/21/25/17/893212517.db2.gz ADHHSMMKAONQQE-RNFRBKRXSA-N 1 2 285.304 -2.494 20 0 CAADLO CNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@@H](NC(=O)C(N)=O)C1 ZINC001490558130 893212537 /nfs/dbraw/zinc/21/25/37/893212537.db2.gz ADHHSMMKAONQQE-RNFRBKRXSA-N 1 2 285.304 -2.494 20 0 CAADLO CCCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)C(N)=O)C1 ZINC001490558157 893214348 /nfs/dbraw/zinc/21/43/48/893214348.db2.gz ATVUWFYNMKPVLL-RKDXNWHRSA-N 1 2 270.333 -1.423 20 0 CAADLO CCCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](NC(=O)C(N)=O)C1 ZINC001490558157 893214365 /nfs/dbraw/zinc/21/43/65/893214365.db2.gz ATVUWFYNMKPVLL-RKDXNWHRSA-N 1 2 270.333 -1.423 20 0 CAADLO NC(=O)CCCCC(=O)N[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001490567872 893216269 /nfs/dbraw/zinc/21/62/69/893216269.db2.gz OIEYRDWVRGRKBF-VIFPVBQESA-N 1 2 270.333 -1.292 20 0 CAADLO NC(=O)CCCCC(=O)N[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001490567872 893216282 /nfs/dbraw/zinc/21/62/82/893216282.db2.gz OIEYRDWVRGRKBF-VIFPVBQESA-N 1 2 270.333 -1.292 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CNC(C)=O ZINC001490784775 893217419 /nfs/dbraw/zinc/21/74/19/893217419.db2.gz OLUCQXMUYLHMQT-JLLWLGSASA-N 1 2 296.371 -1.068 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CNC(C)=O ZINC001490784775 893217436 /nfs/dbraw/zinc/21/74/36/893217436.db2.gz OLUCQXMUYLHMQT-JLLWLGSASA-N 1 2 296.371 -1.068 20 0 CAADLO Cn1nnnc1C[NH2+][C@H](CNC(=O)c1nnc[nH]1)C1CC1 ZINC001490720482 893218924 /nfs/dbraw/zinc/21/89/24/893218924.db2.gz QCVPCCTZBRIXTQ-MRVPVSSYSA-N 1 2 291.319 -1.374 20 0 CAADLO CNC(=O)[C@H](C)[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CNC(C)=O ZINC001490784777 893219365 /nfs/dbraw/zinc/21/93/65/893219365.db2.gz OLUCQXMUYLHMQT-ZMLRMANQSA-N 1 2 296.371 -1.068 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CNC(C)=O ZINC001490784777 893219384 /nfs/dbraw/zinc/21/93/84/893219384.db2.gz OLUCQXMUYLHMQT-ZMLRMANQSA-N 1 2 296.371 -1.068 20 0 CAADLO COC(=O)[C@H]1C[C@@H]1C(=O)NCCNC(=O)Cn1cc[nH+]c1 ZINC001491174431 893248556 /nfs/dbraw/zinc/24/85/56/893248556.db2.gz GDPSQCGZZMMWKP-UWVGGRQHSA-N 1 2 294.311 -1.075 20 0 CAADLO CNC(=O)C[NH2+]C[C@@H]1CCCN(C(=O)Cc2ncn[nH]2)C1 ZINC001491180003 893248799 /nfs/dbraw/zinc/24/87/99/893248799.db2.gz ODSFUJZMLJNTDR-JTQLQIEISA-N 1 2 294.359 -1.079 20 0 CAADLO COC(=O)[C@@H]1C[C@H]1C(=O)NCCNC(=O)Cn1cc[nH+]c1 ZINC001491174430 893249004 /nfs/dbraw/zinc/24/90/04/893249004.db2.gz GDPSQCGZZMMWKP-NXEZZACHSA-N 1 2 294.311 -1.075 20 0 CAADLO CNC(=O)C[NH2+]C[C@H]1CCCN(C(=O)Cc2ncn[nH]2)C1 ZINC001491180005 893249083 /nfs/dbraw/zinc/24/90/83/893249083.db2.gz ODSFUJZMLJNTDR-SNVBAGLBSA-N 1 2 294.359 -1.079 20 0 CAADLO Cc1[nH+]c[nH]c1CC(=O)NCCNC(=O)CC(N)=O ZINC001491193969 893250996 /nfs/dbraw/zinc/25/09/96/893250996.db2.gz JCEBQDGDQPADIO-UHFFFAOYSA-N 1 2 267.289 -1.632 20 0 CAADLO NC(=O)CC(=O)NCCNC(=O)CCn1cc[nH+]c1 ZINC001491193411 893251859 /nfs/dbraw/zinc/25/18/59/893251859.db2.gz AVCFVSNADYJRSY-UHFFFAOYSA-N 1 2 267.289 -1.619 20 0 CAADLO NC(=O)C(=O)NC[C@H]1CCCC[N@@H+]1CC(=O)NC1CC1 ZINC001491226212 893255530 /nfs/dbraw/zinc/25/55/30/893255530.db2.gz TZHOXDGRNGPZSG-SNVBAGLBSA-N 1 2 282.344 -1.279 20 0 CAADLO NC(=O)C(=O)NC[C@H]1CCCC[N@H+]1CC(=O)NC1CC1 ZINC001491226212 893255546 /nfs/dbraw/zinc/25/55/46/893255546.db2.gz TZHOXDGRNGPZSG-SNVBAGLBSA-N 1 2 282.344 -1.279 20 0 CAADLO Cn1cc(C(=O)NCCNC(=O)Cc2[nH]cc[nH+]2)nn1 ZINC001491266448 893258383 /nfs/dbraw/zinc/25/83/83/893258383.db2.gz NHYSLLUFQYDJPX-UHFFFAOYSA-N 1 2 277.288 -1.373 20 0 CAADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCCNC(=O)C(N)=O ZINC001491332213 893264477 /nfs/dbraw/zinc/26/44/77/893264477.db2.gz JUGFOUNRBTUGDY-SSDOTTSWSA-N 1 2 267.289 -1.694 20 0 CAADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCCNC(=O)C(N)=O ZINC001491332213 893264494 /nfs/dbraw/zinc/26/44/94/893264494.db2.gz JUGFOUNRBTUGDY-SSDOTTSWSA-N 1 2 267.289 -1.694 20 0 CAADLO O=C(Cn1cc[nH+]c1)NCCNC(=O)c1cnc[nH]c1=O ZINC001491394719 893267108 /nfs/dbraw/zinc/26/71/08/893267108.db2.gz GZIYZQGLMDLZQW-UHFFFAOYSA-N 1 2 290.283 -1.075 20 0 CAADLO C[C@H](CNC(=O)c1cnsn1)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001491400222 893267211 /nfs/dbraw/zinc/26/72/11/893267211.db2.gz BVCPWBHSTBPSAZ-ZCFIWIBFSA-N 1 2 297.344 -1.132 20 0 CAADLO NC(=O)[C@H]1CC[C@@H]1C(=O)NCCNC(=O)Cn1cc[nH+]c1 ZINC001491420396 893272552 /nfs/dbraw/zinc/27/25/52/893272552.db2.gz ASJURXQNVOXVBJ-UWVGGRQHSA-N 1 2 293.327 -1.373 20 0 CAADLO C[C@@H](CNC(=O)c1ccnn1C)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001491411576 893274116 /nfs/dbraw/zinc/27/41/16/893274116.db2.gz UYIFOLAIPACQPH-QMMMGPOBSA-N 1 2 293.331 -1.250 20 0 CAADLO CNC(=O)C1(C(=O)NCCNC(=O)Cn2cc[nH+]c2)CC1 ZINC001491417365 893274747 /nfs/dbraw/zinc/27/47/47/893274747.db2.gz IFLNPOFTFSVLKY-UHFFFAOYSA-N 1 2 293.327 -1.358 20 0 CAADLO Cc1noc(C[NH2+][C@@H](C)CNC(=O)Cn2ncnn2)n1 ZINC001491455487 893276748 /nfs/dbraw/zinc/27/67/48/893276748.db2.gz GNKQUJVDCYNOJH-ZETCQYMHSA-N 1 2 280.292 -1.341 20 0 CAADLO C[C@@H](CNC(=O)Cn1ncnn1)[NH2+]Cc1cnon1 ZINC001491456005 893277025 /nfs/dbraw/zinc/27/70/25/893277025.db2.gz KKVBSGZOJMBLIA-ZETCQYMHSA-N 1 2 266.265 -1.649 20 0 CAADLO CN1C[C@H](C(=O)NCCNC(=O)Cc2c[nH]c[nH+]2)NC1=O ZINC001491501970 893280169 /nfs/dbraw/zinc/28/01/69/893280169.db2.gz HVLZDUZZTPNRDS-SECBINFHSA-N 1 2 294.315 -1.792 20 0 CAADLO CNC(=O)NCC(=O)NC[C@H](C)[NH2+]Cc1cnon1 ZINC001491474033 893280611 /nfs/dbraw/zinc/28/06/11/893280611.db2.gz QXFTYISUCCOZTD-ZETCQYMHSA-N 1 2 270.293 -1.407 20 0 CAADLO NC(=O)[C@@H]1C[C@@H]1C(=O)NCCNC(=O)CCn1cc[nH+]c1 ZINC001491481628 893281173 /nfs/dbraw/zinc/28/11/73/893281173.db2.gz ALGRQTCIPVJFMI-ZJUUUORDSA-N 1 2 293.327 -1.373 20 0 CAADLO O=C(CCn1cc[nH+]c1)NCCNC(=O)Cc1nc[nH]n1 ZINC001491482259 893281467 /nfs/dbraw/zinc/28/14/67/893281467.db2.gz KCDOSDMHYLTCKY-UHFFFAOYSA-N 1 2 291.315 -1.134 20 0 CAADLO C[C@]1(C(=O)NCCNC(=O)Cc2[nH]cc[nH+]2)CCNC1=O ZINC001491526563 893284812 /nfs/dbraw/zinc/28/48/12/893284812.db2.gz MQWHULCLCOHYTL-ZDUSSCGKSA-N 1 2 293.327 -1.289 20 0 CAADLO C[C@H](CNC(=O)CN1CCNC(=O)C1)[NH2+]Cc1cnon1 ZINC001491550743 893291254 /nfs/dbraw/zinc/29/12/54/893291254.db2.gz YMXFVKQJRDEQDW-SECBINFHSA-N 1 2 296.331 -1.904 20 0 CAADLO C[C@H](CNC(=O)C(N)=O)[NH2+][C@@H](C)c1nnnn1C1CC1 ZINC001491570673 893294634 /nfs/dbraw/zinc/29/46/34/893294634.db2.gz PRRWUDDXONPJSI-RQJHMYQMSA-N 1 2 281.320 -1.351 20 0 CAADLO C[C@@H](CNC(=O)C(N)=O)[NH2+]Cc1nnc(C2CC2)[nH]1 ZINC001491565930 893296105 /nfs/dbraw/zinc/29/61/05/893296105.db2.gz GTTAEUKYCUKPEM-LURJTMIESA-N 1 2 266.305 -1.238 20 0 CAADLO C[C@@H](CNC(=O)c1ccncn1)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001491613051 893296746 /nfs/dbraw/zinc/29/67/46/893296746.db2.gz AYVAFEMWRMLZSL-QMMMGPOBSA-N 1 2 291.315 -1.194 20 0 CAADLO C[C@H](CNC(=O)c1nnc[nH]1)[NH2+]Cc1ncnn1C ZINC001491613659 893298596 /nfs/dbraw/zinc/29/85/96/893298596.db2.gz GZOHRRKVMSZAPL-SSDOTTSWSA-N 1 2 264.293 -1.159 20 0 CAADLO C[C@@H](CNC(=O)c1nnc[nH]1)[NH2+]Cc1ncnn1C ZINC001491613664 893299559 /nfs/dbraw/zinc/29/95/59/893299559.db2.gz GZOHRRKVMSZAPL-ZETCQYMHSA-N 1 2 264.293 -1.159 20 0 CAADLO O=C(Cc1[nH]cc[nH+]1)NCCCNC(=O)[C@@H]1CCNC1=O ZINC001491763468 893312870 /nfs/dbraw/zinc/31/28/70/893312870.db2.gz VAVPGEVDKZNQJN-VIFPVBQESA-N 1 2 293.327 -1.289 20 0 CAADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1CCN(C(=O)C(N)=O)C1 ZINC001491890128 893317458 /nfs/dbraw/zinc/31/74/58/893317458.db2.gz KTCADYZCBRTHIW-RKDXNWHRSA-N 1 2 293.327 -1.209 20 0 CAADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1CCN(C(=O)C(N)=O)C1 ZINC001491890128 893317473 /nfs/dbraw/zinc/31/74/73/893317473.db2.gz KTCADYZCBRTHIW-RKDXNWHRSA-N 1 2 293.327 -1.209 20 0 CAADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1CCN(C(=O)C(N)=O)C1 ZINC001491890127 893318818 /nfs/dbraw/zinc/31/88/18/893318818.db2.gz KTCADYZCBRTHIW-DTWKUNHWSA-N 1 2 293.327 -1.209 20 0 CAADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1CCN(C(=O)C(N)=O)C1 ZINC001491890127 893318832 /nfs/dbraw/zinc/31/88/32/893318832.db2.gz KTCADYZCBRTHIW-DTWKUNHWSA-N 1 2 293.327 -1.209 20 0 CAADLO C[N@H+](CCNC(=O)CCn1cccn1)CC(N)=O ZINC001492194326 893325318 /nfs/dbraw/zinc/32/53/18/893325318.db2.gz QTZSLBSKYZVOAB-UHFFFAOYSA-N 1 2 253.306 -1.194 20 0 CAADLO C[N@@H+](CCNC(=O)CCn1cccn1)CC(N)=O ZINC001492194326 893325338 /nfs/dbraw/zinc/32/53/38/893325338.db2.gz QTZSLBSKYZVOAB-UHFFFAOYSA-N 1 2 253.306 -1.194 20 0 CAADLO C[N@H+](CCNC(=O)[C@H]1CCC(=O)N1)CC(=O)N1CCCC1 ZINC001492215311 893327179 /nfs/dbraw/zinc/32/71/79/893327179.db2.gz PRWGGWRQJOEIIY-LLVKDONJSA-N 1 2 296.371 -1.065 20 0 CAADLO C[N@@H+](CCNC(=O)[C@H]1CCC(=O)N1)CC(=O)N1CCCC1 ZINC001492215311 893327196 /nfs/dbraw/zinc/32/71/96/893327196.db2.gz PRWGGWRQJOEIIY-LLVKDONJSA-N 1 2 296.371 -1.065 20 0 CAADLO CC(=O)N(C)CC(=O)NCC[N@H+](C)CC(=O)N1CCC1 ZINC001492195484 893328480 /nfs/dbraw/zinc/32/84/80/893328480.db2.gz UGRYGTAGTJSEQV-UHFFFAOYSA-N 1 2 284.360 -1.255 20 0 CAADLO CC(=O)N(C)CC(=O)NCC[N@@H+](C)CC(=O)N1CCC1 ZINC001492195484 893328501 /nfs/dbraw/zinc/32/85/01/893328501.db2.gz UGRYGTAGTJSEQV-UHFFFAOYSA-N 1 2 284.360 -1.255 20 0 CAADLO CC(=O)NCC(=O)NCC[N@@H+](C)Cc1nc(=O)n(C)[nH]1 ZINC001492184204 893328838 /nfs/dbraw/zinc/32/88/38/893328838.db2.gz SQIKNKLQAWVEIO-UHFFFAOYSA-N 1 2 284.320 -2.208 20 0 CAADLO CC(=O)NCC(=O)NCC[N@H+](C)Cc1nc(=O)n(C)[nH]1 ZINC001492184204 893328856 /nfs/dbraw/zinc/32/88/56/893328856.db2.gz SQIKNKLQAWVEIO-UHFFFAOYSA-N 1 2 284.320 -2.208 20 0 CAADLO C[N@H+](CCNC(=O)CN1CCOCC1)CC(=O)N1CCC1 ZINC001492231403 893334814 /nfs/dbraw/zinc/33/48/14/893334814.db2.gz RDYWVBWPZIKCKE-UHFFFAOYSA-N 1 2 298.387 -1.401 20 0 CAADLO C[N@@H+](CCNC(=O)CN1CCOCC1)CC(=O)N1CCC1 ZINC001492231403 893334833 /nfs/dbraw/zinc/33/48/33/893334833.db2.gz RDYWVBWPZIKCKE-UHFFFAOYSA-N 1 2 298.387 -1.401 20 0 CAADLO Cn1cnc(C(=O)NCC[N@H+](C)CC(=O)N2CCC2)n1 ZINC001492243735 893338084 /nfs/dbraw/zinc/33/80/84/893338084.db2.gz VMWJOFUEKYUOLC-UHFFFAOYSA-N 1 2 280.332 -1.291 20 0 CAADLO Cn1cnc(C(=O)NCC[N@@H+](C)CC(=O)N2CCC2)n1 ZINC001492243735 893338106 /nfs/dbraw/zinc/33/81/06/893338106.db2.gz VMWJOFUEKYUOLC-UHFFFAOYSA-N 1 2 280.332 -1.291 20 0 CAADLO CN(C)C(=O)C[N@H+](C)CCNC(=O)c1cnc[nH]c1=O ZINC001492297816 893338611 /nfs/dbraw/zinc/33/86/11/893338611.db2.gz VTXYBLTVGYPALF-UHFFFAOYSA-N 1 2 281.316 -1.068 20 0 CAADLO CN(C)C(=O)C[N@@H+](C)CCNC(=O)c1cnc[nH]c1=O ZINC001492297816 893338629 /nfs/dbraw/zinc/33/86/29/893338629.db2.gz VTXYBLTVGYPALF-UHFFFAOYSA-N 1 2 281.316 -1.068 20 0 CAADLO CC(C)NC(=O)C[N@H+](C)CCNC(=O)Cn1ncnn1 ZINC001492253521 893340121 /nfs/dbraw/zinc/34/01/21/893340121.db2.gz VPAVFNPPEIKADB-UHFFFAOYSA-N 1 2 283.336 -1.754 20 0 CAADLO CC(C)NC(=O)C[N@@H+](C)CCNC(=O)Cn1ncnn1 ZINC001492253521 893340138 /nfs/dbraw/zinc/34/01/38/893340138.db2.gz VPAVFNPPEIKADB-UHFFFAOYSA-N 1 2 283.336 -1.754 20 0 CAADLO C[N@H+](CCNC(=O)[C@H]1CCCC(=O)N1)CC(=O)NC1CC1 ZINC001492292189 893340216 /nfs/dbraw/zinc/34/02/16/893340216.db2.gz TUNLXZMNRICUIF-LLVKDONJSA-N 1 2 296.371 -1.018 20 0 CAADLO C[N@@H+](CCNC(=O)[C@H]1CCCC(=O)N1)CC(=O)NC1CC1 ZINC001492292189 893340230 /nfs/dbraw/zinc/34/02/30/893340230.db2.gz TUNLXZMNRICUIF-LLVKDONJSA-N 1 2 296.371 -1.018 20 0 CAADLO C[N@H+](CCNC(=O)[C@@H]1CCc2cncn2C1)CC(N)=O ZINC001492310386 893340631 /nfs/dbraw/zinc/34/06/31/893340631.db2.gz HFUQCDDKUVAEEH-SNVBAGLBSA-N 1 2 279.344 -1.021 20 0 CAADLO C[N@@H+](CCNC(=O)[C@@H]1CCc2cncn2C1)CC(N)=O ZINC001492310386 893340648 /nfs/dbraw/zinc/34/06/48/893340648.db2.gz HFUQCDDKUVAEEH-SNVBAGLBSA-N 1 2 279.344 -1.021 20 0 CAADLO CN(C)C(=O)C[N@H+](C)CCNC(=O)C[C@@H]1NC(=O)NC1=O ZINC001492294445 893341457 /nfs/dbraw/zinc/34/14/57/893341457.db2.gz WNIKDFRQYGLQLW-QMMMGPOBSA-N 1 2 299.331 -2.279 20 0 CAADLO CN(C)C(=O)C[N@@H+](C)CCNC(=O)C[C@@H]1NC(=O)NC1=O ZINC001492294445 893341473 /nfs/dbraw/zinc/34/14/73/893341473.db2.gz WNIKDFRQYGLQLW-QMMMGPOBSA-N 1 2 299.331 -2.279 20 0 CAADLO Cc1[nH]c(=O)[nH]c1C(=O)NCC[N@@H+](C)CC(N)=O ZINC001492291843 893341771 /nfs/dbraw/zinc/34/17/71/893341771.db2.gz GHUNKIOCWLIQGY-UHFFFAOYSA-N 1 2 255.278 -1.429 20 0 CAADLO Cc1[nH]c(=O)[nH]c1C(=O)NCC[N@H+](C)CC(N)=O ZINC001492291843 893341789 /nfs/dbraw/zinc/34/17/89/893341789.db2.gz GHUNKIOCWLIQGY-UHFFFAOYSA-N 1 2 255.278 -1.429 20 0 CAADLO C[N@H+](CCNC(=O)Cn1cc(C2CC2)nn1)CC(N)=O ZINC001492277408 893342853 /nfs/dbraw/zinc/34/28/53/893342853.db2.gz CUBFSHPABNTYGR-UHFFFAOYSA-N 1 2 280.332 -1.311 20 0 CAADLO C[N@@H+](CCNC(=O)Cn1cc(C2CC2)nn1)CC(N)=O ZINC001492277408 893342869 /nfs/dbraw/zinc/34/28/69/893342869.db2.gz CUBFSHPABNTYGR-UHFFFAOYSA-N 1 2 280.332 -1.311 20 0 CAADLO C[N@H+](CCNC(=O)C[C@@H]1CCC(=O)N1)CC(N)=O ZINC001492453176 893356685 /nfs/dbraw/zinc/35/66/85/893356685.db2.gz CIAJVZRAEUUZQR-QMMMGPOBSA-N 1 2 256.306 -1.812 20 0 CAADLO C[N@@H+](CCNC(=O)C[C@@H]1CCC(=O)N1)CC(N)=O ZINC001492453176 893356691 /nfs/dbraw/zinc/35/66/91/893356691.db2.gz CIAJVZRAEUUZQR-QMMMGPOBSA-N 1 2 256.306 -1.812 20 0 CAADLO C[N@H+](CCNC(=O)c1cnc2n1CCOC2)CC(N)=O ZINC001492286201 893343807 /nfs/dbraw/zinc/34/38/07/893343807.db2.gz JBTPBZTXCDYVDV-UHFFFAOYSA-N 1 2 281.316 -1.440 20 0 CAADLO C[N@@H+](CCNC(=O)c1cnc2n1CCOC2)CC(N)=O ZINC001492286201 893343835 /nfs/dbraw/zinc/34/38/35/893343835.db2.gz JBTPBZTXCDYVDV-UHFFFAOYSA-N 1 2 281.316 -1.440 20 0 CAADLO CN(CCCNC(=O)CC(N)=O)C(=O)Cc1c[nH+]c[nH]1 ZINC001492307258 893343898 /nfs/dbraw/zinc/34/38/98/893343898.db2.gz UAKCPNMMYPNZMB-UHFFFAOYSA-N 1 2 281.316 -1.208 20 0 CAADLO C[N@H+](CCNC(=O)C1(C(N)=O)CC1)CC(=O)NCC1CC1 ZINC001492399288 893344705 /nfs/dbraw/zinc/34/47/05/893344705.db2.gz YHPHMVFRABNIPW-UHFFFAOYSA-N 1 2 296.371 -1.174 20 0 CAADLO C[N@@H+](CCNC(=O)C1(C(N)=O)CC1)CC(=O)NCC1CC1 ZINC001492399288 893344720 /nfs/dbraw/zinc/34/47/20/893344720.db2.gz YHPHMVFRABNIPW-UHFFFAOYSA-N 1 2 296.371 -1.174 20 0 CAADLO CC(C)NC(=O)C[N@H+](C)CCNC(=O)[C@H]1CCNC1=O ZINC001492370175 893344932 /nfs/dbraw/zinc/34/49/32/893344932.db2.gz PSROSEXNVLQQRV-JTQLQIEISA-N 1 2 284.360 -1.305 20 0 CAADLO CC(C)NC(=O)C[N@@H+](C)CCNC(=O)[C@H]1CCNC1=O ZINC001492370175 893344950 /nfs/dbraw/zinc/34/49/50/893344950.db2.gz PSROSEXNVLQQRV-JTQLQIEISA-N 1 2 284.360 -1.305 20 0 CAADLO CCNC(=O)C[N@H+](C)CCNC(=O)c1c[nH]c(=O)n1C ZINC001492373473 893346304 /nfs/dbraw/zinc/34/63/04/893346304.db2.gz PGLVPFKUTIRHNA-UHFFFAOYSA-N 1 2 283.332 -1.077 20 0 CAADLO CCNC(=O)C[N@@H+](C)CCNC(=O)c1c[nH]c(=O)n1C ZINC001492373473 893346323 /nfs/dbraw/zinc/34/63/23/893346323.db2.gz PGLVPFKUTIRHNA-UHFFFAOYSA-N 1 2 283.332 -1.077 20 0 CAADLO Cc1nn[nH]c1C(=O)NCC[N@@H+](C)CC(=O)N(C)C ZINC001492366080 893347405 /nfs/dbraw/zinc/34/74/05/893347405.db2.gz PIDDEGFHKDEOQK-UHFFFAOYSA-N 1 2 268.321 -1.137 20 0 CAADLO Cc1nn[nH]c1C(=O)NCC[N@H+](C)CC(=O)N(C)C ZINC001492366080 893347426 /nfs/dbraw/zinc/34/74/26/893347426.db2.gz PIDDEGFHKDEOQK-UHFFFAOYSA-N 1 2 268.321 -1.137 20 0 CAADLO CN1CC[C@H](C(=O)NCC[N@H+](C)CC(=O)NC2CC2)C1=O ZINC001492378818 893348492 /nfs/dbraw/zinc/34/84/92/893348492.db2.gz SFQFJFQYBNOKCA-LLVKDONJSA-N 1 2 296.371 -1.209 20 0 CAADLO CN1CC[C@H](C(=O)NCC[N@@H+](C)CC(=O)NC2CC2)C1=O ZINC001492378818 893348502 /nfs/dbraw/zinc/34/85/02/893348502.db2.gz SFQFJFQYBNOKCA-LLVKDONJSA-N 1 2 296.371 -1.209 20 0 CAADLO CC(=O)N1CCC[C@H](C(=O)NCC[N@@H+](C)CC(N)=O)C1 ZINC001492328712 893348821 /nfs/dbraw/zinc/34/88/21/893348821.db2.gz RYJQLCRNTPUKPG-NSHDSACASA-N 1 2 284.360 -1.222 20 0 CAADLO CC(=O)N1CCC[C@H](C(=O)NCC[N@H+](C)CC(N)=O)C1 ZINC001492328712 893348839 /nfs/dbraw/zinc/34/88/39/893348839.db2.gz RYJQLCRNTPUKPG-NSHDSACASA-N 1 2 284.360 -1.222 20 0 CAADLO CNC(=O)C[N@H+](C)CCNC(=O)[C@@H]1CCNC1=O ZINC001492369050 893349372 /nfs/dbraw/zinc/34/93/72/893349372.db2.gz AHMYPIIRBVFXAX-MRVPVSSYSA-N 1 2 256.306 -2.084 20 0 CAADLO CNC(=O)C[N@@H+](C)CCNC(=O)[C@@H]1CCNC1=O ZINC001492369050 893349392 /nfs/dbraw/zinc/34/93/92/893349392.db2.gz AHMYPIIRBVFXAX-MRVPVSSYSA-N 1 2 256.306 -2.084 20 0 CAADLO CN1CC[C@@H](C(=O)NCC[N@H+](C)CC(=O)NC2CC2)C1=O ZINC001492378820 893349641 /nfs/dbraw/zinc/34/96/41/893349641.db2.gz SFQFJFQYBNOKCA-NSHDSACASA-N 1 2 296.371 -1.209 20 0 CAADLO CN1CC[C@@H](C(=O)NCC[N@@H+](C)CC(=O)NC2CC2)C1=O ZINC001492378820 893349659 /nfs/dbraw/zinc/34/96/59/893349659.db2.gz SFQFJFQYBNOKCA-NSHDSACASA-N 1 2 296.371 -1.209 20 0 CAADLO C[N@H+](CCNC(=O)COCC(F)F)CC(N)=O ZINC001492359445 893349731 /nfs/dbraw/zinc/34/97/31/893349731.db2.gz QUTOKHBUZUHGLW-UHFFFAOYSA-N 1 2 253.249 -1.199 20 0 CAADLO C[N@@H+](CCNC(=O)COCC(F)F)CC(N)=O ZINC001492359445 893349748 /nfs/dbraw/zinc/34/97/48/893349748.db2.gz QUTOKHBUZUHGLW-UHFFFAOYSA-N 1 2 253.249 -1.199 20 0 CAADLO CN(C)C(=O)C[N@H+](C)CCNC(=O)c1c[nH]c(=O)cn1 ZINC001492393930 893349850 /nfs/dbraw/zinc/34/98/50/893349850.db2.gz NHKNPRWQIMUYNC-UHFFFAOYSA-N 1 2 281.316 -1.480 20 0 CAADLO CN(C)C(=O)C[N@@H+](C)CCNC(=O)c1c[nH]c(=O)cn1 ZINC001492393930 893349865 /nfs/dbraw/zinc/34/98/65/893349865.db2.gz NHKNPRWQIMUYNC-UHFFFAOYSA-N 1 2 281.316 -1.480 20 0 CAADLO Cn1nnc(C(=O)NCC[N@H+](C)Cc2ccnn2C)n1 ZINC001492376370 893350408 /nfs/dbraw/zinc/35/04/08/893350408.db2.gz VUIGHCQQPQKFJV-UHFFFAOYSA-N 1 2 278.320 -1.195 20 0 CAADLO Cn1nnc(C(=O)NCC[N@@H+](C)Cc2ccnn2C)n1 ZINC001492376370 893350430 /nfs/dbraw/zinc/35/04/30/893350430.db2.gz VUIGHCQQPQKFJV-UHFFFAOYSA-N 1 2 278.320 -1.195 20 0 CAADLO C[N@H+](CCNC(=O)C1(C(N)=O)CC1)CC(=O)NC1CC1 ZINC001492397661 893350584 /nfs/dbraw/zinc/35/05/84/893350584.db2.gz AUMXVJVRSQOKRQ-UHFFFAOYSA-N 1 2 282.344 -1.422 20 0 CAADLO C[N@@H+](CCNC(=O)C1(C(N)=O)CC1)CC(=O)NC1CC1 ZINC001492397661 893350605 /nfs/dbraw/zinc/35/06/05/893350605.db2.gz AUMXVJVRSQOKRQ-UHFFFAOYSA-N 1 2 282.344 -1.422 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)c1nnc[nH]1 ZINC001492461052 893352056 /nfs/dbraw/zinc/35/20/56/893352056.db2.gz UQMZLJPMJJOYHL-SSDOTTSWSA-N 1 2 254.294 -1.399 20 0 CAADLO C[N@H+](CCNC(=O)c1cnon1)CC(=O)N1CCOCC1 ZINC001492462320 893351307 /nfs/dbraw/zinc/35/13/07/893351307.db2.gz BVXXKVYCRXVKQS-UHFFFAOYSA-N 1 2 297.315 -1.410 20 0 CAADLO C[N@@H+](CCNC(=O)c1cnon1)CC(=O)N1CCOCC1 ZINC001492462320 893351327 /nfs/dbraw/zinc/35/13/27/893351327.db2.gz BVXXKVYCRXVKQS-UHFFFAOYSA-N 1 2 297.315 -1.410 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)c1nnc[nH]1 ZINC001492461052 893352034 /nfs/dbraw/zinc/35/20/34/893352034.db2.gz UQMZLJPMJJOYHL-SSDOTTSWSA-N 1 2 254.294 -1.399 20 0 CAADLO CNC(=O)[C@H](C)[N@H+](C)CCNC(=O)c1nnc[nH]1 ZINC001492461053 893352192 /nfs/dbraw/zinc/35/21/92/893352192.db2.gz UQMZLJPMJJOYHL-ZETCQYMHSA-N 1 2 254.294 -1.399 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)c1nnc[nH]1 ZINC001492461053 893352209 /nfs/dbraw/zinc/35/22/09/893352209.db2.gz UQMZLJPMJJOYHL-ZETCQYMHSA-N 1 2 254.294 -1.399 20 0 CAADLO CCCNC(=O)C[N@H+](C)CCNC(=O)Cc1nc[nH]n1 ZINC001492494033 893353671 /nfs/dbraw/zinc/35/36/71/893353671.db2.gz MELPXKWAKXYROG-UHFFFAOYSA-N 1 2 282.348 -1.079 20 0 CAADLO CCCNC(=O)C[N@@H+](C)CCNC(=O)Cc1nc[nH]n1 ZINC001492494033 893353689 /nfs/dbraw/zinc/35/36/89/893353689.db2.gz MELPXKWAKXYROG-UHFFFAOYSA-N 1 2 282.348 -1.079 20 0 CAADLO CC(=O)NC(C)(C)C(=O)NCC[N@@H+](C)CC(N)=O ZINC001492459009 893354773 /nfs/dbraw/zinc/35/47/73/893354773.db2.gz POWWMEWJZLMLQE-UHFFFAOYSA-N 1 2 258.322 -1.566 20 0 CAADLO CC(=O)NC(C)(C)C(=O)NCC[N@H+](C)CC(N)=O ZINC001492459009 893354794 /nfs/dbraw/zinc/35/47/94/893354794.db2.gz POWWMEWJZLMLQE-UHFFFAOYSA-N 1 2 258.322 -1.566 20 0 CAADLO CN1C(=O)CN(CC(=O)NCC[N@H+](C)CC(N)=O)C1=O ZINC001492813797 893355569 /nfs/dbraw/zinc/35/55/69/893355569.db2.gz ZBOFAQJYFKBEDC-UHFFFAOYSA-N 1 2 285.304 -2.586 20 0 CAADLO CN1C(=O)CN(CC(=O)NCC[N@@H+](C)CC(N)=O)C1=O ZINC001492813797 893355585 /nfs/dbraw/zinc/35/55/85/893355585.db2.gz ZBOFAQJYFKBEDC-UHFFFAOYSA-N 1 2 285.304 -2.586 20 0 CAADLO C[N@H+](CCNC(=O)c1cccn2c1n[nH]c2=O)CC(N)=O ZINC001492812720 893356601 /nfs/dbraw/zinc/35/66/01/893356601.db2.gz ILAGVODSIVRDRC-UHFFFAOYSA-N 1 2 292.299 -1.418 20 0 CAADLO C[N@@H+](CCNC(=O)c1cccn2c1n[nH]c2=O)CC(N)=O ZINC001492812720 893356617 /nfs/dbraw/zinc/35/66/17/893356617.db2.gz ILAGVODSIVRDRC-UHFFFAOYSA-N 1 2 292.299 -1.418 20 0 CAADLO C[N@H+](CCNC(=O)CCCN1C(=O)CNC1=O)CC(N)=O ZINC001492846795 893363923 /nfs/dbraw/zinc/36/39/23/893363923.db2.gz NPTOCXBHAFWOLY-UHFFFAOYSA-N 1 2 299.331 -2.148 20 0 CAADLO C[N@@H+](CCNC(=O)CCCN1C(=O)CNC1=O)CC(N)=O ZINC001492846795 893363939 /nfs/dbraw/zinc/36/39/39/893363939.db2.gz NPTOCXBHAFWOLY-UHFFFAOYSA-N 1 2 299.331 -2.148 20 0 CAADLO CC[N@H+](CCNC(=O)c1cnn[nH]1)[C@H]1CCNC1=O ZINC001492982242 893365051 /nfs/dbraw/zinc/36/50/51/893365051.db2.gz MKNCRNRQJXYLGN-VIFPVBQESA-N 1 2 266.305 -1.255 20 0 CAADLO CC[N@@H+](CCNC(=O)c1cnn[nH]1)[C@H]1CCNC1=O ZINC001492982242 893365067 /nfs/dbraw/zinc/36/50/67/893365067.db2.gz MKNCRNRQJXYLGN-VIFPVBQESA-N 1 2 266.305 -1.255 20 0 CAADLO CC[N@@H+](CCNC(=O)c1cn[nH]n1)[C@H]1CCNC1=O ZINC001492982242 893365035 /nfs/dbraw/zinc/36/50/35/893365035.db2.gz MKNCRNRQJXYLGN-VIFPVBQESA-N 1 2 266.305 -1.255 20 0 CAADLO CC[N@H+](CCNC(=O)c1cn[nH]n1)[C@H]1CCNC1=O ZINC001492982242 893365017 /nfs/dbraw/zinc/36/50/17/893365017.db2.gz MKNCRNRQJXYLGN-VIFPVBQESA-N 1 2 266.305 -1.255 20 0 CAADLO CC[N@H+](CCNC(=O)[C@@H]1CCNC1=O)Cc1cnnn1C ZINC001493000731 893365253 /nfs/dbraw/zinc/36/52/53/893365253.db2.gz NZILZDUVAAQYRS-LLVKDONJSA-N 1 2 294.359 -1.111 20 0 CAADLO CC[N@@H+](CCNC(=O)[C@@H]1CCNC1=O)Cc1cnnn1C ZINC001493000731 893365272 /nfs/dbraw/zinc/36/52/72/893365272.db2.gz NZILZDUVAAQYRS-LLVKDONJSA-N 1 2 294.359 -1.111 20 0 CAADLO CC[N@H+](CCNC(=O)C(N)=O)CC(=O)NCC(F)(F)F ZINC001493009725 893365864 /nfs/dbraw/zinc/36/58/64/893365864.db2.gz PBLJHBRGAQWIHF-UHFFFAOYSA-N 1 2 298.265 -1.412 20 0 CAADLO CC[N@@H+](CCNC(=O)C(N)=O)CC(=O)NCC(F)(F)F ZINC001493009725 893365882 /nfs/dbraw/zinc/36/58/82/893365882.db2.gz PBLJHBRGAQWIHF-UHFFFAOYSA-N 1 2 298.265 -1.412 20 0 CAADLO CC[N@H+](CCNC(=O)c1cn[nH]n1)CC(=O)N(C)C ZINC001492982287 893366505 /nfs/dbraw/zinc/36/65/05/893366505.db2.gz NVYQKSMPYCIALH-UHFFFAOYSA-N 1 2 268.321 -1.055 20 0 CAADLO CC[N@@H+](CCNC(=O)c1cn[nH]n1)CC(=O)N(C)C ZINC001492982287 893366520 /nfs/dbraw/zinc/36/65/20/893366520.db2.gz NVYQKSMPYCIALH-UHFFFAOYSA-N 1 2 268.321 -1.055 20 0 CAADLO CC[N@H+](CCNC(=O)c1cnn[nH]1)CC(=O)N(C)C ZINC001492982287 893366537 /nfs/dbraw/zinc/36/65/37/893366537.db2.gz NVYQKSMPYCIALH-UHFFFAOYSA-N 1 2 268.321 -1.055 20 0 CAADLO CC[N@@H+](CCNC(=O)c1cnn[nH]1)CC(=O)N(C)C ZINC001492982287 893366552 /nfs/dbraw/zinc/36/65/52/893366552.db2.gz NVYQKSMPYCIALH-UHFFFAOYSA-N 1 2 268.321 -1.055 20 0 CAADLO CC[N@H+](CCNC(=O)C(N)=O)CC(=O)NC(=O)NC ZINC001493008501 893371325 /nfs/dbraw/zinc/37/13/25/893371325.db2.gz FJJLESBAZJTWRW-UHFFFAOYSA-N 1 2 273.293 -2.635 20 0 CAADLO CC[N@@H+](CCNC(=O)C(N)=O)CC(=O)NC(=O)NC ZINC001493008501 893371344 /nfs/dbraw/zinc/37/13/44/893371344.db2.gz FJJLESBAZJTWRW-UHFFFAOYSA-N 1 2 273.293 -2.635 20 0 CAADLO NC(=O)C(=O)NC[C@H]1CCC[N@@H+]1CC(=O)NCC1CCC1 ZINC001493134431 893373171 /nfs/dbraw/zinc/37/31/71/893373171.db2.gz WHXLECVGQHQJPR-LLVKDONJSA-N 1 2 296.371 -1.031 20 0 CAADLO NC(=O)C(=O)NC[C@H]1CCC[N@H+]1CC(=O)NCC1CCC1 ZINC001493134431 893373185 /nfs/dbraw/zinc/37/31/85/893373185.db2.gz WHXLECVGQHQJPR-LLVKDONJSA-N 1 2 296.371 -1.031 20 0 CAADLO CC[N@H+](CCNC(=O)c1nc[nH]n1)[C@@H](C)C(=O)NC ZINC001493033037 893375528 /nfs/dbraw/zinc/37/55/28/893375528.db2.gz JPZLTQWICKDHSE-QMMMGPOBSA-N 1 2 268.321 -1.009 20 0 CAADLO CC[N@H+](CCNC(=O)c1nnc[nH]1)[C@@H](C)C(=O)NC ZINC001493033037 893375452 /nfs/dbraw/zinc/37/54/52/893375452.db2.gz JPZLTQWICKDHSE-QMMMGPOBSA-N 1 2 268.321 -1.009 20 0 CAADLO CC[N@@H+](CCNC(=O)c1nnc[nH]1)[C@@H](C)C(=O)NC ZINC001493033037 893375469 /nfs/dbraw/zinc/37/54/69/893375469.db2.gz JPZLTQWICKDHSE-QMMMGPOBSA-N 1 2 268.321 -1.009 20 0 CAADLO CC[N@H+](CCNC(=O)c1ncn[nH]1)[C@@H](C)C(=O)NC ZINC001493033037 893375488 /nfs/dbraw/zinc/37/54/88/893375488.db2.gz JPZLTQWICKDHSE-QMMMGPOBSA-N 1 2 268.321 -1.009 20 0 CAADLO CC[N@@H+](CCNC(=O)c1ncn[nH]1)[C@@H](C)C(=O)NC ZINC001493033037 893375507 /nfs/dbraw/zinc/37/55/07/893375507.db2.gz JPZLTQWICKDHSE-QMMMGPOBSA-N 1 2 268.321 -1.009 20 0 CAADLO CC[N@@H+](CCNC(=O)c1nc[nH]n1)[C@@H](C)C(=O)NC ZINC001493033037 893375545 /nfs/dbraw/zinc/37/55/45/893375545.db2.gz JPZLTQWICKDHSE-QMMMGPOBSA-N 1 2 268.321 -1.009 20 0 CAADLO CC[N@H+](CCNC(=O)C(=O)NCC1CC1)CC(N)=O ZINC001493037363 893376922 /nfs/dbraw/zinc/37/69/22/893376922.db2.gz HTNJETTYAUHSDO-UHFFFAOYSA-N 1 2 270.333 -1.564 20 0 CAADLO CC[N@@H+](CCNC(=O)C(=O)NCC1CC1)CC(N)=O ZINC001493037363 893376941 /nfs/dbraw/zinc/37/69/41/893376941.db2.gz HTNJETTYAUHSDO-UHFFFAOYSA-N 1 2 270.333 -1.564 20 0 CAADLO NC(=O)C(=O)N(CCCNC(=O)Cc1c[nH]c[nH+]1)C1CC1 ZINC001493118525 893378769 /nfs/dbraw/zinc/37/87/69/893378769.db2.gz QECLDQNCVDOMEI-UHFFFAOYSA-N 1 2 293.327 -1.065 20 0 CAADLO CNC(=O)NCC(=O)NC[C@H]1CC[N@H+](Cc2cnon2)C1 ZINC001493206526 893382889 /nfs/dbraw/zinc/38/28/89/893382889.db2.gz HOVZXQXQYOYXTP-SECBINFHSA-N 1 2 296.331 -1.063 20 0 CAADLO CNC(=O)NCC(=O)NC[C@H]1CC[N@@H+](Cc2cnon2)C1 ZINC001493206526 893382906 /nfs/dbraw/zinc/38/29/06/893382906.db2.gz HOVZXQXQYOYXTP-SECBINFHSA-N 1 2 296.331 -1.063 20 0 CAADLO CCn1ncc(C[N@@H+]2CC[C@H](CNC(=O)C(N)=O)C2)n1 ZINC001493229444 893384049 /nfs/dbraw/zinc/38/40/49/893384049.db2.gz HCGXIMINPFEWBN-SECBINFHSA-N 1 2 280.332 -1.279 20 0 CAADLO CCn1ncc(C[N@H+]2CC[C@H](CNC(=O)C(N)=O)C2)n1 ZINC001493229444 893384065 /nfs/dbraw/zinc/38/40/65/893384065.db2.gz HCGXIMINPFEWBN-SECBINFHSA-N 1 2 280.332 -1.279 20 0 CAADLO C[C@H](c1nnnn1C)[N@@H+]1CC[C@H](CNC(=O)C(N)=O)C1 ZINC001493228276 893384575 /nfs/dbraw/zinc/38/45/75/893384575.db2.gz BKEGKNQPVODHDU-HTQZYQBOSA-N 1 2 281.320 -1.806 20 0 CAADLO C[C@H](c1nnnn1C)[N@H+]1CC[C@H](CNC(=O)C(N)=O)C1 ZINC001493228276 893384596 /nfs/dbraw/zinc/38/45/96/893384596.db2.gz BKEGKNQPVODHDU-HTQZYQBOSA-N 1 2 281.320 -1.806 20 0 CAADLO NC(=O)C(=O)NC[C@@H]1CC[N@H+](Cc2ncnn2CCF)C1 ZINC001493228194 893385044 /nfs/dbraw/zinc/38/50/44/893385044.db2.gz AEWOBJQVVJGBLC-VIFPVBQESA-N 1 2 298.322 -1.329 20 0 CAADLO NC(=O)C(=O)NC[C@@H]1CC[N@@H+](Cc2ncnn2CCF)C1 ZINC001493228194 893385065 /nfs/dbraw/zinc/38/50/65/893385065.db2.gz AEWOBJQVVJGBLC-VIFPVBQESA-N 1 2 298.322 -1.329 20 0 CAADLO CCn1ncc(C[N@@H+]2CC[C@@H](CNC(=O)C(N)=O)C2)n1 ZINC001493229445 893385728 /nfs/dbraw/zinc/38/57/28/893385728.db2.gz HCGXIMINPFEWBN-VIFPVBQESA-N 1 2 280.332 -1.279 20 0 CAADLO CCn1ncc(C[N@H+]2CC[C@@H](CNC(=O)C(N)=O)C2)n1 ZINC001493229445 893385743 /nfs/dbraw/zinc/38/57/43/893385743.db2.gz HCGXIMINPFEWBN-VIFPVBQESA-N 1 2 280.332 -1.279 20 0 CAADLO NC(=O)CC(=O)N1CC[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001493335808 893387529 /nfs/dbraw/zinc/38/75/29/893387529.db2.gz QDGKRAIHAMUSST-JTQLQIEISA-N 1 2 293.327 -1.134 20 0 CAADLO CCN(C)C(=O)C[N@H+](CCNC(=O)C(N)=O)C1CC1 ZINC001493407072 893392690 /nfs/dbraw/zinc/39/26/90/893392690.db2.gz LDJABFLECLNZJR-UHFFFAOYSA-N 1 2 270.333 -1.469 20 0 CAADLO CCN(C)C(=O)C[N@@H+](CCNC(=O)C(N)=O)C1CC1 ZINC001493407072 893392710 /nfs/dbraw/zinc/39/27/10/893392710.db2.gz LDJABFLECLNZJR-UHFFFAOYSA-N 1 2 270.333 -1.469 20 0 CAADLO CN(C(=O)C[N@H+](CCNC(=O)C(N)=O)C1CC1)C1CC1 ZINC001493407436 893395644 /nfs/dbraw/zinc/39/56/44/893395644.db2.gz PHYPHYSSZIEATA-UHFFFAOYSA-N 1 2 282.344 -1.327 20 0 CAADLO CN(C(=O)C[N@@H+](CCNC(=O)C(N)=O)C1CC1)C1CC1 ZINC001493407436 893395662 /nfs/dbraw/zinc/39/56/62/893395662.db2.gz PHYPHYSSZIEATA-UHFFFAOYSA-N 1 2 282.344 -1.327 20 0 CAADLO CN(CC[NH2+]Cc1nc(=O)n(C)[nH]1)C(=O)Cc1ccon1 ZINC001493503603 893401360 /nfs/dbraw/zinc/40/13/60/893401360.db2.gz RZLMYQNQMJXVFM-UHFFFAOYSA-N 1 2 294.315 -1.113 20 0 CAADLO CN(CC[NH2+]Cc1nc(=O)n(C)[nH]1)C(=O)Cc1cc[nH]n1 ZINC001493503581 893401827 /nfs/dbraw/zinc/40/18/27/893401827.db2.gz RSYLHLFJMDYSTP-UHFFFAOYSA-N 1 2 293.331 -1.378 20 0 CAADLO CN(CC[NH2+]Cc1nc(=O)n(C)[nH]1)C(=O)Cc1ccn[nH]1 ZINC001493503581 893401834 /nfs/dbraw/zinc/40/18/34/893401834.db2.gz RSYLHLFJMDYSTP-UHFFFAOYSA-N 1 2 293.331 -1.378 20 0 CAADLO CN(CC[NH2+]Cc1nc(=O)n(C)[nH]1)C(=O)Cn1cccn1 ZINC001493473732 893401893 /nfs/dbraw/zinc/40/18/93/893401893.db2.gz ABFNDNQDXVVEJH-UHFFFAOYSA-N 1 2 293.331 -1.447 20 0 CAADLO CNC(=O)NCCC(=O)N(C)CC[NH2+]Cc1cnon1 ZINC001493537267 893405092 /nfs/dbraw/zinc/40/50/92/893405092.db2.gz GBOYHCPDZVIIPY-UHFFFAOYSA-N 1 2 284.320 -1.063 20 0 CAADLO NC(=O)C(=O)N[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)C1CC1 ZINC001493670286 893411725 /nfs/dbraw/zinc/41/17/25/893411725.db2.gz FHRKNMLOPCHFOA-QMMMGPOBSA-N 1 2 279.300 -1.552 20 0 CAADLO CN(CC[NH2+]Cc1csnn1)C(=O)[C@@H]1CNC(=O)N1 ZINC001493674961 893411860 /nfs/dbraw/zinc/41/18/60/893411860.db2.gz QYHHHMBSBUEZTG-QMMMGPOBSA-N 1 2 284.345 -1.233 20 0 CAADLO CC[C@H]([NH2+]CCN(C)C(=O)Cc1ncn[nH]1)C(N)=O ZINC001493758566 893414184 /nfs/dbraw/zinc/41/41/84/893414184.db2.gz LNHBXOOMXLNCNK-QMMMGPOBSA-N 1 2 268.321 -1.341 20 0 CAADLO CC[C@@H]([NH2+]CCN(C)C(=O)Cc1ncn[nH]1)C(N)=O ZINC001493758562 893415157 /nfs/dbraw/zinc/41/51/57/893415157.db2.gz LNHBXOOMXLNCNK-MRVPVSSYSA-N 1 2 268.321 -1.341 20 0 CAADLO CCCN(C(=O)[C@@H]1COC(=O)N1)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001493946210 893417665 /nfs/dbraw/zinc/41/76/65/893417665.db2.gz FZSJEWUQYPVYMK-ZJUUUORDSA-N 1 2 298.343 -1.107 20 0 CAADLO CCCN(C(=O)[C@@H]1COC(=O)N1)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001493946210 893417669 /nfs/dbraw/zinc/41/76/69/893417669.db2.gz FZSJEWUQYPVYMK-ZJUUUORDSA-N 1 2 298.343 -1.107 20 0 CAADLO CCCN(C(=O)CNC(C)=O)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001493940151 893417774 /nfs/dbraw/zinc/41/77/74/893417774.db2.gz XGZOUWNPDHLFPE-NSHDSACASA-N 1 2 284.360 -1.079 20 0 CAADLO CCCN(C(=O)CNC(C)=O)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001493940151 893417779 /nfs/dbraw/zinc/41/77/79/893417779.db2.gz XGZOUWNPDHLFPE-NSHDSACASA-N 1 2 284.360 -1.079 20 0 CAADLO CN(CC[NH2+]Cc1cnon1)C(=O)c1cn(C)c(=O)n1C ZINC001493810157 893417893 /nfs/dbraw/zinc/41/78/93/893417893.db2.gz FQWNYQIHRYLPAR-UHFFFAOYSA-N 1 2 294.315 -1.031 20 0 CAADLO CCCN(C(=O)[C@@H]1COC(=O)N1)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001493946208 893418407 /nfs/dbraw/zinc/41/84/07/893418407.db2.gz FZSJEWUQYPVYMK-UWVGGRQHSA-N 1 2 298.343 -1.107 20 0 CAADLO CCCN(C(=O)[C@@H]1COC(=O)N1)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001493946208 893418412 /nfs/dbraw/zinc/41/84/12/893418412.db2.gz FZSJEWUQYPVYMK-UWVGGRQHSA-N 1 2 298.343 -1.107 20 0 CAADLO CCCN(C(=O)[C@H]1COC(=O)N1)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001493946207 893418683 /nfs/dbraw/zinc/41/86/83/893418683.db2.gz FZSJEWUQYPVYMK-NXEZZACHSA-N 1 2 298.343 -1.107 20 0 CAADLO CCCN(C(=O)[C@H]1COC(=O)N1)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001493946207 893418695 /nfs/dbraw/zinc/41/86/95/893418695.db2.gz FZSJEWUQYPVYMK-NXEZZACHSA-N 1 2 298.343 -1.107 20 0 CAADLO CN(C)C(=O)C[NH+]1CCN(CCN(C)C(=O)C(N)=O)CC1 ZINC001494101853 893423253 /nfs/dbraw/zinc/42/32/53/893423253.db2.gz HIXHKLBNTGHROG-UHFFFAOYSA-N 1 2 299.375 -2.364 20 0 CAADLO CNC(=O)C[N@@H+]1CCC[C@H](NC(=O)C(C)(C)C(N)=O)C1 ZINC001494319503 893425089 /nfs/dbraw/zinc/42/50/89/893425089.db2.gz PZPKPDPIMMIFTJ-VIFPVBQESA-N 1 2 284.360 -1.176 20 0 CAADLO CNC(=O)C[N@H+]1CCC[C@H](NC(=O)C(C)(C)C(N)=O)C1 ZINC001494319503 893425096 /nfs/dbraw/zinc/42/50/96/893425096.db2.gz PZPKPDPIMMIFTJ-VIFPVBQESA-N 1 2 284.360 -1.176 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(NC(=O)c2cn(C)cn2)C1 ZINC001494371199 893428645 /nfs/dbraw/zinc/42/86/45/893428645.db2.gz OEGNFSLZSSPMBU-JTQLQIEISA-N 1 2 268.317 -1.159 20 0 CAADLO O=C(NC1C[NH+](CCOCCO)C1)c1ccc(=O)[nH]n1 ZINC001494335191 893428682 /nfs/dbraw/zinc/42/86/82/893428682.db2.gz YRUAIWVOQQFCID-UHFFFAOYSA-N 1 2 282.300 -1.395 20 0 CAADLO O=C(CNC(=O)C1CC1)NC1C[NH+](CCCO)C1 ZINC001494343016 893430396 /nfs/dbraw/zinc/43/03/96/893430396.db2.gz RDMGCZUWPBKFEX-UHFFFAOYSA-N 1 2 255.318 -1.305 20 0 CAADLO COCC(=O)NCCC(=O)NC1C[NH+](CCCO)C1 ZINC001494396380 893431899 /nfs/dbraw/zinc/43/18/99/893431899.db2.gz RUVNOXQHVZTKKL-UHFFFAOYSA-N 1 2 273.333 -1.678 20 0 CAADLO COCC[NH+]1CC(NC(=O)C[C@@H](C)NC(N)=O)C1 ZINC001494386296 893432012 /nfs/dbraw/zinc/43/20/12/893432012.db2.gz FCSADQHEMGWPBH-MRVPVSSYSA-N 1 2 258.322 -1.120 20 0 CAADLO CC[C@@]1(C(=O)NC2C[NH+](CCO)C2)CCNC1=O ZINC001494402376 893432185 /nfs/dbraw/zinc/43/21/85/893432185.db2.gz SNIORZJZBFOSNV-GFCCVEGCSA-N 1 2 255.318 -1.305 20 0 CAADLO COCC[NH+]1CC(NC(=O)C[C@H](C)NC(N)=O)C1 ZINC001494386297 893432231 /nfs/dbraw/zinc/43/22/31/893432231.db2.gz FCSADQHEMGWPBH-QMMMGPOBSA-N 1 2 258.322 -1.120 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(NC(=O)[C@H](O)C(C)C)C1 ZINC001494381016 893432350 /nfs/dbraw/zinc/43/23/50/893432350.db2.gz PSHDSGDNMKUSMC-WDEREUQCSA-N 1 2 260.334 -1.189 20 0 CAADLO O=C(CNC(=O)c1ccncc1)NC1C[NH+](CCO)C1 ZINC001494388350 893433543 /nfs/dbraw/zinc/43/35/43/893433543.db2.gz BYTIRIOESCBEMA-UHFFFAOYSA-N 1 2 278.312 -1.396 20 0 CAADLO O=C(NC1C[NH+](CCOCCO)C1)[C@@H]1CCNC1=O ZINC001494432152 893435622 /nfs/dbraw/zinc/43/56/22/893435622.db2.gz GBMNNSAOIKCXNP-SNVBAGLBSA-N 1 2 271.317 -2.068 20 0 CAADLO C[C@H](O)C[NH+]1CC(NC(=O)CCn2ncn(C)c2=O)C1 ZINC001494422370 893436104 /nfs/dbraw/zinc/43/61/04/893436104.db2.gz AWPWSNPIQPVYOX-VIFPVBQESA-N 1 2 283.332 -1.847 20 0 CAADLO COCC[NH+]1CC(NC(=O)CCn2cnnn2)C1 ZINC001494468859 893437993 /nfs/dbraw/zinc/43/79/93/893437993.db2.gz BBPMPDINEJJAHC-UHFFFAOYSA-N 1 2 254.294 -1.490 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(NC(=O)Cc2ncc[nH]2)C1 ZINC001494469325 893439164 /nfs/dbraw/zinc/43/91/64/893439164.db2.gz FPQGHUKZKBPJSF-JTQLQIEISA-N 1 2 268.317 -1.240 20 0 CAADLO C[C@@H](C(=O)NC1C[NH+](CCOCCO)C1)[C@H]1CCC(=O)N1 ZINC001494452226 893439632 /nfs/dbraw/zinc/43/96/32/893439632.db2.gz LQVWMVPWOOJUPO-ZYHUDNBSSA-N 1 2 299.371 -1.290 20 0 CAADLO C[C@H](C(=O)NC1C[NH+](CCOCCO)C1)[C@H]1CCC(=O)N1 ZINC001494452219 893439868 /nfs/dbraw/zinc/43/98/68/893439868.db2.gz LQVWMVPWOOJUPO-CMPLNLGQSA-N 1 2 299.371 -1.290 20 0 CAADLO Cn1cccc(C(=O)NC2C[NH+](CCOCCO)C2)c1=O ZINC001494482934 893440098 /nfs/dbraw/zinc/44/00/98/893440098.db2.gz FYXXKUMAHAFZMB-UHFFFAOYSA-N 1 2 295.339 -1.192 20 0 CAADLO Cc1nnc(CC(=O)NCC2C[NH+]([C@@H](C)C(N)=O)C2)o1 ZINC001494545937 893441882 /nfs/dbraw/zinc/44/18/82/893441882.db2.gz JBVUNPHTZVJFHY-ZETCQYMHSA-N 1 2 281.316 -1.158 20 0 CAADLO CC(=O)N(C)CC(=O)NCC1C[NH+](CC(N)=O)C1 ZINC001494524414 893441987 /nfs/dbraw/zinc/44/19/87/893441987.db2.gz COUUQXGMWBMSPF-UHFFFAOYSA-N 1 2 256.306 -2.002 20 0 CAADLO NC(=O)C[NH+]1CC(CNC(=O)COCC2CC2)C1 ZINC001494526672 893442398 /nfs/dbraw/zinc/44/23/98/893442398.db2.gz QIGKESRNTXZHST-UHFFFAOYSA-N 1 2 255.318 -1.054 20 0 CAADLO CCNC(=O)CCC(=O)NCC1C[NH+]([C@@H]2CCNC2=O)C1 ZINC001494532996 893442521 /nfs/dbraw/zinc/44/25/21/893442521.db2.gz JZCQGKHBZZSMAH-LLVKDONJSA-N 1 2 296.371 -1.161 20 0 CAADLO Cc1nnc(CC(=O)NCC2C[NH+]([C@H](C)C(N)=O)C2)o1 ZINC001494545935 893442733 /nfs/dbraw/zinc/44/27/33/893442733.db2.gz JBVUNPHTZVJFHY-SSDOTTSWSA-N 1 2 281.316 -1.158 20 0 CAADLO CC(=O)N(C)CC(=O)NCC1C[NH+]([C@@H]2CCNC2=O)C1 ZINC001494524402 893442747 /nfs/dbraw/zinc/44/27/47/893442747.db2.gz CGMJKDNRHJOUJG-LLVKDONJSA-N 1 2 282.344 -1.599 20 0 CAADLO CCNC(=O)C[NH+]1CC(CNC(=O)[C@H]2CCC(=O)N2)C1 ZINC001494532779 893442807 /nfs/dbraw/zinc/44/28/07/893442807.db2.gz JMNJIICQCJHIQG-SNVBAGLBSA-N 1 2 282.344 -1.551 20 0 CAADLO CCC(=O)NCC(=O)NCC1C[NH+](CC(=O)NC(N)=O)C1 ZINC001494538481 893442880 /nfs/dbraw/zinc/44/28/80/893442880.db2.gz LXDIHGAHDYTVFV-UHFFFAOYSA-N 1 2 299.331 -2.245 20 0 CAADLO NC(=O)CN1CC(NC(=O)CCCn2cc[nH+]c2)C1 ZINC001494510685 893443033 /nfs/dbraw/zinc/44/30/33/893443033.db2.gz HWVKQQCCKAGKSX-UHFFFAOYSA-N 1 2 265.317 -1.051 20 0 CAADLO CCNC(=O)CCC(=O)NCC1C[NH+]([C@H]2CCNC2=O)C1 ZINC001494532998 893443441 /nfs/dbraw/zinc/44/34/41/893443441.db2.gz JZCQGKHBZZSMAH-NSHDSACASA-N 1 2 296.371 -1.161 20 0 CAADLO CO[C@@H](C)C(=O)NCC1C[NH+]([C@H](C)C(=O)NC(N)=O)C1 ZINC001494528245 893443504 /nfs/dbraw/zinc/44/35/04/893443504.db2.gz RBZIDFLGYKKFOV-SFYZADRCSA-N 1 2 286.332 -1.347 20 0 CAADLO CCNC(=O)C[NH+]1CC(CNC(=O)[C@H]2CCCC(=O)N2)C1 ZINC001494562050 893445478 /nfs/dbraw/zinc/44/54/78/893445478.db2.gz KCFRPFKTKAAQCX-LLVKDONJSA-N 1 2 296.371 -1.161 20 0 CAADLO CCNC(=O)C[NH+]1CC(CNC(=O)C[C@@H]2CCNC2=O)C1 ZINC001494559403 893445964 /nfs/dbraw/zinc/44/59/64/893445964.db2.gz YOAVEHORHYBIMS-NSHDSACASA-N 1 2 296.371 -1.303 20 0 CAADLO CNC(=O)NCC(=O)NCC1C[NH+](CC(=O)N(C)C)C1 ZINC001494557029 893446019 /nfs/dbraw/zinc/44/60/19/893446019.db2.gz CBEXNCICHBSQRE-UHFFFAOYSA-N 1 2 285.348 -1.948 20 0 CAADLO NC(=O)C[NH+]1CC(CNC(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001494562363 893446285 /nfs/dbraw/zinc/44/62/85/893446285.db2.gz BJJLBTSVBNOCBY-ZETCQYMHSA-N 1 2 283.288 -2.882 20 0 CAADLO C[C@@H](C(=O)NC(N)=O)[NH+]1CC(CNC(=O)c2ncc[nH]2)C1 ZINC001494552177 893447561 /nfs/dbraw/zinc/44/75/61/893447561.db2.gz JRCXRIMGQHWXNZ-ZETCQYMHSA-N 1 2 294.315 -1.345 20 0 CAADLO CNC(=O)C[NH+]1CC(CNC(=O)C[C@@H]2CCN(C)C2=O)C1 ZINC001494562253 893447668 /nfs/dbraw/zinc/44/76/68/893447668.db2.gz LIUSTTWCWKIMAA-NSHDSACASA-N 1 2 296.371 -1.351 20 0 CAADLO NC(=O)CN1CC(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001494638240 893448968 /nfs/dbraw/zinc/44/89/68/893448968.db2.gz DGKOXEMPKDMFJY-UHFFFAOYSA-N 1 2 251.290 -1.584 20 0 CAADLO CNC(=O)C[NH+]1CC(CNC(=O)C(=O)NCC2CC2)C1 ZINC001494607484 893449307 /nfs/dbraw/zinc/44/93/07/893449307.db2.gz TZYCRCZXLGTMNB-UHFFFAOYSA-N 1 2 282.344 -1.693 20 0 CAADLO CCCNC(=O)C[NH+]1CC(CNC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001494628954 893449516 /nfs/dbraw/zinc/44/95/16/893449516.db2.gz UMZUJFOQGHSTCA-NSHDSACASA-N 1 2 296.371 -1.161 20 0 CAADLO NC(=O)CCCC(=O)NCC1C[NH+](CC(=O)N2CCC2)C1 ZINC001494639347 893449587 /nfs/dbraw/zinc/44/95/87/893449587.db2.gz YSYSJXSMTFXEII-UHFFFAOYSA-N 1 2 296.371 -1.078 20 0 CAADLO CC[C@H](NC(C)=O)C(=O)NCC1C[NH+](CC(N)=O)C1 ZINC001494597191 893449674 /nfs/dbraw/zinc/44/96/74/893449674.db2.gz MBDJTZYZNAAEEX-JTQLQIEISA-N 1 2 270.333 -1.566 20 0 CAADLO CN1CC(C(=O)NCC2C[NH+](CCOCCO)C2)=NC1=O ZINC001494590146 893450483 /nfs/dbraw/zinc/45/04/83/893450483.db2.gz KHERSCRILUWJDQ-UHFFFAOYSA-N 1 2 298.343 -1.204 20 0 CAADLO CCCNC(=O)C[NH+]1CC(CNC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001494594394 893450691 /nfs/dbraw/zinc/45/06/91/893450691.db2.gz QXTADGABEXYZTF-MNOVXSKESA-N 1 2 296.371 -1.318 20 0 CAADLO NC(=O)C[NH+]1CC(CNC(=O)CCc2ncccn2)C1 ZINC001494606508 893450892 /nfs/dbraw/zinc/45/08/92/893450892.db2.gz JAKBGJIWXBJMEQ-UHFFFAOYSA-N 1 2 277.328 -1.058 20 0 CAADLO C[C@H](C(N)=O)[NH+]1CC(CNC(=O)[C@@]2(C)CCNC2=O)C1 ZINC001494593380 893451053 /nfs/dbraw/zinc/45/10/53/893451053.db2.gz QXKRESQSLFXXCS-OQPBUACISA-N 1 2 282.344 -1.566 20 0 CAADLO NC(=O)NC(=O)C[NH+]1CC(CNC(=O)Cc2ccc[nH]2)C1 ZINC001494628211 893451595 /nfs/dbraw/zinc/45/15/95/893451595.db2.gz IIWKLOOHVZGQLO-UHFFFAOYSA-N 1 2 293.327 -1.200 20 0 CAADLO NC(=O)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCOCCO ZINC001494668328 893453180 /nfs/dbraw/zinc/45/31/80/893453180.db2.gz OBLTXIAMUYBWSQ-IUCAKERBSA-N 1 2 257.290 -2.234 20 0 CAADLO NC(=O)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCOCCO ZINC001494668328 893453183 /nfs/dbraw/zinc/45/31/83/893453183.db2.gz OBLTXIAMUYBWSQ-IUCAKERBSA-N 1 2 257.290 -2.234 20 0 CAADLO CCNC(=O)CC(=O)N[C@H]1CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001494701191 893457104 /nfs/dbraw/zinc/45/71/04/893457104.db2.gz PJVTXUFKHQCMJY-QMMMGPOBSA-N 1 2 299.331 -2.102 20 0 CAADLO CCNC(=O)CC(=O)N[C@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001494701191 893457119 /nfs/dbraw/zinc/45/71/19/893457119.db2.gz PJVTXUFKHQCMJY-QMMMGPOBSA-N 1 2 299.331 -2.102 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)CCn2ccnn2)C1 ZINC001494702143 893457214 /nfs/dbraw/zinc/45/72/14/893457214.db2.gz ICVLJJIHNWMYOY-VIFPVBQESA-N 1 2 266.305 -1.656 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)CCn2ccnn2)C1 ZINC001494702143 893457228 /nfs/dbraw/zinc/45/72/28/893457228.db2.gz ICVLJJIHNWMYOY-VIFPVBQESA-N 1 2 266.305 -1.656 20 0 CAADLO CCC[C@@H](NC(N)=O)C(=O)N[C@H]1CC[N@@H+]([C@@H](C)C(N)=O)C1 ZINC001494735577 893457787 /nfs/dbraw/zinc/45/77/87/893457787.db2.gz UQBJMXWOFQYMRZ-LPEHRKFASA-N 1 2 299.375 -1.112 20 0 CAADLO CCC[C@@H](NC(N)=O)C(=O)N[C@H]1CC[N@H+]([C@@H](C)C(N)=O)C1 ZINC001494735577 893457791 /nfs/dbraw/zinc/45/77/91/893457791.db2.gz UQBJMXWOFQYMRZ-LPEHRKFASA-N 1 2 299.375 -1.112 20 0 CAADLO CCCOCC(=O)N[C@@H]1CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001494746305 893458769 /nfs/dbraw/zinc/45/87/69/893458769.db2.gz AMQZTEOZCGGPJP-SECBINFHSA-N 1 2 286.332 -1.202 20 0 CAADLO CCCOCC(=O)N[C@@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001494746305 893458781 /nfs/dbraw/zinc/45/87/81/893458781.db2.gz AMQZTEOZCGGPJP-SECBINFHSA-N 1 2 286.332 -1.202 20 0 CAADLO C[C@H](CNC(=O)Cn1cc[nH+]c1)NC(=O)C(N)=O ZINC001494798707 893460705 /nfs/dbraw/zinc/46/07/05/893460705.db2.gz XWLNQUKDAZNYJU-SSDOTTSWSA-N 1 2 253.262 -2.011 20 0 CAADLO C[C@@H](NC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)C(N)=O)C1)C1CC1 ZINC001494841023 893461479 /nfs/dbraw/zinc/46/14/79/893461479.db2.gz DDSSWLHTQYHYBA-MWLCHTKSSA-N 1 2 296.371 -1.081 20 0 CAADLO C[C@@H](NC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)C(N)=O)C1)C1CC1 ZINC001494841023 893461489 /nfs/dbraw/zinc/46/14/89/893461489.db2.gz DDSSWLHTQYHYBA-MWLCHTKSSA-N 1 2 296.371 -1.081 20 0 CAADLO CN(C(=O)CC(N)=O)[C@@H]1CC[N@H+](Cc2cnnn2C)C1 ZINC001494813235 893462405 /nfs/dbraw/zinc/46/24/05/893462405.db2.gz KCOHXAAUZOQHHV-SECBINFHSA-N 1 2 280.332 -1.277 20 0 CAADLO CN(C(=O)CC(N)=O)[C@@H]1CC[N@@H+](Cc2cnnn2C)C1 ZINC001494813235 893462414 /nfs/dbraw/zinc/46/24/14/893462414.db2.gz KCOHXAAUZOQHHV-SECBINFHSA-N 1 2 280.332 -1.277 20 0 CAADLO C[C@@H](CNC(=O)C(N)=O)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001495015872 893472260 /nfs/dbraw/zinc/47/22/60/893472260.db2.gz XJXZNELGQXLSSF-DJLDLDEBSA-N 1 2 293.327 -1.370 20 0 CAADLO Cn1[nH]c(C[NH2+]C[C@](C)(NC(=O)C(N)=O)C2CC2)nc1=O ZINC001495283037 893474735 /nfs/dbraw/zinc/47/47/35/893474735.db2.gz ZEDYHYWQPWHMEV-LBPRGKRZSA-N 1 2 296.331 -2.032 20 0 CAADLO Cc1[nH+]c[nH]c1CC(=O)NC[C@H]1CCN(C(=O)C(N)=O)C1 ZINC001495289492 893476346 /nfs/dbraw/zinc/47/63/46/893476346.db2.gz GEQLVKFMGGAIBF-SECBINFHSA-N 1 2 293.327 -1.289 20 0 CAADLO CC(=O)NCC(=O)NC[C@@H]1C[N@H+](CCO)CCO1 ZINC001495825248 893490688 /nfs/dbraw/zinc/49/06/88/893490688.db2.gz NGCAVFYGNDGPQU-SNVBAGLBSA-N 1 2 259.306 -2.068 20 0 CAADLO CC(=O)NCC(=O)NC[C@@H]1C[N@@H+](CCO)CCO1 ZINC001495825248 893490698 /nfs/dbraw/zinc/49/06/98/893490698.db2.gz NGCAVFYGNDGPQU-SNVBAGLBSA-N 1 2 259.306 -2.068 20 0 CAADLO C[C@@H](C(=O)NC[C@@H]1C[N@H+](CCO)CCO1)n1cncn1 ZINC001495840622 893491345 /nfs/dbraw/zinc/49/13/45/893491345.db2.gz MKLPGXMRBHCYSZ-WDEREUQCSA-N 1 2 283.332 -1.352 20 0 CAADLO C[C@@H](C(=O)NC[C@@H]1C[N@@H+](CCO)CCO1)n1cncn1 ZINC001495840622 893491355 /nfs/dbraw/zinc/49/13/55/893491355.db2.gz MKLPGXMRBHCYSZ-WDEREUQCSA-N 1 2 283.332 -1.352 20 0 CAADLO C[C@@H](O)C[N@@H+]1CCO[C@H](CNC(=O)CCc2nnc[nH]2)C1 ZINC001495840883 893492340 /nfs/dbraw/zinc/49/23/40/893492340.db2.gz QOBKRVKDGXKAGH-GHMZBOCLSA-N 1 2 297.359 -1.065 20 0 CAADLO C[C@@H](O)C[N@H+]1CCO[C@H](CNC(=O)CCc2nnc[nH]2)C1 ZINC001495840883 893492346 /nfs/dbraw/zinc/49/23/46/893492346.db2.gz QOBKRVKDGXKAGH-GHMZBOCLSA-N 1 2 297.359 -1.065 20 0 CAADLO O=C(CNC(=O)C1CC1)NC[C@H]1C[N@H+](CCO)CCO1 ZINC001495825689 893492751 /nfs/dbraw/zinc/49/27/51/893492751.db2.gz MVEYCWBTXPSIIN-NSHDSACASA-N 1 2 285.344 -1.678 20 0 CAADLO O=C(CNC(=O)C1CC1)NC[C@H]1C[N@@H+](CCO)CCO1 ZINC001495825689 893492757 /nfs/dbraw/zinc/49/27/57/893492757.db2.gz MVEYCWBTXPSIIN-NSHDSACASA-N 1 2 285.344 -1.678 20 0 CAADLO CCOCC[N@@H+]1CCO[C@H](CNC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001495870232 893494187 /nfs/dbraw/zinc/49/41/87/893494187.db2.gz IITMEIXNQUWTFC-UTUOFQBUSA-N 1 2 299.371 -1.039 20 0 CAADLO CCOCC[N@H+]1CCO[C@H](CNC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001495870232 893494201 /nfs/dbraw/zinc/49/42/01/893494201.db2.gz IITMEIXNQUWTFC-UTUOFQBUSA-N 1 2 299.371 -1.039 20 0 CAADLO CCOCC[N@@H+]1CCO[C@H](CNC(=O)C(N)=O)C1 ZINC001495872395 893496084 /nfs/dbraw/zinc/49/60/84/893496084.db2.gz ZNIUUSCBTWXCRJ-SECBINFHSA-N 1 2 259.306 -1.675 20 0 CAADLO CCOCC[N@H+]1CCO[C@H](CNC(=O)C(N)=O)C1 ZINC001495872395 893496097 /nfs/dbraw/zinc/49/60/97/893496097.db2.gz ZNIUUSCBTWXCRJ-SECBINFHSA-N 1 2 259.306 -1.675 20 0 CAADLO COC(=O)NCC(=O)NCCN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001495877902 893496164 /nfs/dbraw/zinc/49/61/64/893496164.db2.gz QUAHNHVCFPCCSF-UHFFFAOYSA-N 1 2 297.315 -1.117 20 0 CAADLO Cn1cc(CCC(=O)NC[C@@H]2C[N@H+](CCO)CCO2)nn1 ZINC001495886666 893496318 /nfs/dbraw/zinc/49/63/18/893496318.db2.gz LLADUAXVCCGRMR-GFCCVEGCSA-N 1 2 297.359 -1.443 20 0 CAADLO Cn1cc(CCC(=O)NC[C@@H]2C[N@@H+](CCO)CCO2)nn1 ZINC001495886666 893496326 /nfs/dbraw/zinc/49/63/26/893496326.db2.gz LLADUAXVCCGRMR-GFCCVEGCSA-N 1 2 297.359 -1.443 20 0 CAADLO CNC(=O)NCC(=O)NC[C@H]1C[N@H+](CCOC)CCO1 ZINC001495850144 893496868 /nfs/dbraw/zinc/49/68/68/893496868.db2.gz OXSYBNKERJZZFL-JTQLQIEISA-N 1 2 288.348 -1.621 20 0 CAADLO CNC(=O)NCC(=O)NC[C@H]1C[N@@H+](CCOC)CCO1 ZINC001495850144 893496875 /nfs/dbraw/zinc/49/68/75/893496875.db2.gz OXSYBNKERJZZFL-JTQLQIEISA-N 1 2 288.348 -1.621 20 0 CAADLO C[C@H](C[NH2+]Cc1ncccn1)N(C)C(=O)C(N)=O ZINC001496150477 893506833 /nfs/dbraw/zinc/50/68/33/893506833.db2.gz QZXKHVORVWHLFO-MRVPVSSYSA-N 1 2 251.290 -1.102 20 0 CAADLO CC(=O)N[C@@H](C)C(=O)N(C)CCNC(=O)Cn1cc[nH+]c1 ZINC001496212997 893511233 /nfs/dbraw/zinc/51/12/33/893511233.db2.gz UXBKUMWSRGPSIW-JTQLQIEISA-N 1 2 295.343 -1.018 20 0 CAADLO CN(CCNC(=O)Cn1cc[nH+]c1)C(=O)c1cnnn1C ZINC001496210583 893512230 /nfs/dbraw/zinc/51/22/30/893512230.db2.gz CLIRNSKLKXNTFS-UHFFFAOYSA-N 1 2 291.315 -1.100 20 0 CAADLO CN(CCNC(=O)[C@@H]1CCNC1=O)C(=O)Cc1[nH]cc[nH+]1 ZINC001496379906 893516859 /nfs/dbraw/zinc/51/68/59/893516859.db2.gz UKNUBZXGVMHOTJ-SECBINFHSA-N 1 2 293.327 -1.337 20 0 CAADLO CN(CCNC(=O)Cc1c[nH]c[nH+]1)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001496610009 893524052 /nfs/dbraw/zinc/52/40/52/893524052.db2.gz CJYVYRWLODYBIZ-ZJUUUORDSA-N 1 2 293.327 -1.352 20 0 CAADLO CN(CC[N@H+](C)CC(=O)NC1CC1)C(=O)CC(N)=O ZINC001496675843 893529311 /nfs/dbraw/zinc/52/93/11/893529311.db2.gz IVYSIQGBYJWUSX-UHFFFAOYSA-N 1 2 270.333 -1.469 20 0 CAADLO CN(CC[N@@H+](C)CC(=O)NC1CC1)C(=O)CC(N)=O ZINC001496675843 893529324 /nfs/dbraw/zinc/52/93/24/893529324.db2.gz IVYSIQGBYJWUSX-UHFFFAOYSA-N 1 2 270.333 -1.469 20 0 CAADLO C[C@@H](CC(=O)N(C)CC[N@H+](C)CC(N)=O)NC(N)=O ZINC001496702244 893530696 /nfs/dbraw/zinc/53/06/96/893530696.db2.gz OWEJTKFOOBHQEZ-QMMMGPOBSA-N 1 2 273.337 -1.691 20 0 CAADLO C[C@@H](CC(=O)N(C)CC[N@@H+](C)CC(N)=O)NC(N)=O ZINC001496702244 893530708 /nfs/dbraw/zinc/53/07/08/893530708.db2.gz OWEJTKFOOBHQEZ-QMMMGPOBSA-N 1 2 273.337 -1.691 20 0 CAADLO CN(CC[N@H+](C)CCCS(C)(=O)=O)C(=O)CC(N)=O ZINC001496677507 893531096 /nfs/dbraw/zinc/53/10/96/893531096.db2.gz YNJMPQYGWHLGTD-UHFFFAOYSA-N 1 2 293.389 -1.313 20 0 CAADLO CN(CC[N@@H+](C)CCCS(C)(=O)=O)C(=O)CC(N)=O ZINC001496677507 893531120 /nfs/dbraw/zinc/53/11/20/893531120.db2.gz YNJMPQYGWHLGTD-UHFFFAOYSA-N 1 2 293.389 -1.313 20 0 CAADLO CN(CC[N@H+](C)CC(N)=O)C(=O)[C@H]1CC[C@@H]1C(N)=O ZINC001496757365 893531846 /nfs/dbraw/zinc/53/18/46/893531846.db2.gz DLHXEGZIJMNIFF-IUCAKERBSA-N 1 2 270.333 -1.627 20 0 CAADLO CN(CC[N@@H+](C)CC(N)=O)C(=O)[C@H]1CC[C@@H]1C(N)=O ZINC001496757365 893531867 /nfs/dbraw/zinc/53/18/67/893531867.db2.gz DLHXEGZIJMNIFF-IUCAKERBSA-N 1 2 270.333 -1.627 20 0 CAADLO CNC(=O)C[N@H+](C)CCN(C)C(=O)[C@H]1CN(C)C(=O)N1 ZINC001496757787 893532521 /nfs/dbraw/zinc/53/25/21/893532521.db2.gz HGPQFLUXHYVGRL-SECBINFHSA-N 1 2 285.348 -1.854 20 0 CAADLO CNC(=O)C[N@@H+](C)CCN(C)C(=O)[C@H]1CN(C)C(=O)N1 ZINC001496757787 893532545 /nfs/dbraw/zinc/53/25/45/893532545.db2.gz HGPQFLUXHYVGRL-SECBINFHSA-N 1 2 285.348 -1.854 20 0 CAADLO CCCNC(=O)C[N@H+](C)CCN(C)C(=O)CC(N)=O ZINC001496675832 893533718 /nfs/dbraw/zinc/53/37/18/893533718.db2.gz ILMAPKNGJMPOFK-UHFFFAOYSA-N 1 2 272.349 -1.222 20 0 CAADLO CCCNC(=O)C[N@@H+](C)CCN(C)C(=O)CC(N)=O ZINC001496675832 893533736 /nfs/dbraw/zinc/53/37/36/893533736.db2.gz ILMAPKNGJMPOFK-UHFFFAOYSA-N 1 2 272.349 -1.222 20 0 CAADLO CNC(=O)C1(C(=O)N(C)CC[N@H+](C)CC(N)=O)CCC1 ZINC001496824597 893534180 /nfs/dbraw/zinc/53/41/80/893534180.db2.gz BDWVGLORCUXVJW-UHFFFAOYSA-N 1 2 284.360 -1.222 20 0 CAADLO CNC(=O)C1(C(=O)N(C)CC[N@@H+](C)CC(N)=O)CCC1 ZINC001496824597 893534191 /nfs/dbraw/zinc/53/41/91/893534191.db2.gz BDWVGLORCUXVJW-UHFFFAOYSA-N 1 2 284.360 -1.222 20 0 CAADLO CN(CC[N@H+](C)CC(N)=O)C(=O)CCn1cnnn1 ZINC001496809770 893534907 /nfs/dbraw/zinc/53/49/07/893534907.db2.gz WDWBLAPGGCPTTF-UHFFFAOYSA-N 1 2 269.309 -2.061 20 0 CAADLO CN(CC[N@@H+](C)CC(N)=O)C(=O)CCn1cnnn1 ZINC001496809770 893534922 /nfs/dbraw/zinc/53/49/22/893534922.db2.gz WDWBLAPGGCPTTF-UHFFFAOYSA-N 1 2 269.309 -2.061 20 0 CAADLO CN(CC[N@H+](C)CC(N)=O)C(=O)c1cccnc1C(N)=O ZINC001496842338 893535564 /nfs/dbraw/zinc/53/55/64/893535564.db2.gz XLJHFSHVBMDRQS-UHFFFAOYSA-N 1 2 293.327 -1.330 20 0 CAADLO CN(CC[N@@H+](C)CC(N)=O)C(=O)c1cccnc1C(N)=O ZINC001496842338 893535573 /nfs/dbraw/zinc/53/55/73/893535573.db2.gz XLJHFSHVBMDRQS-UHFFFAOYSA-N 1 2 293.327 -1.330 20 0 CAADLO CN(CC[N@H+](C)CC(N)=O)C(=O)CCn1cnccc1=O ZINC001496810950 893535666 /nfs/dbraw/zinc/53/56/66/893535666.db2.gz UEMQJJRIOYXZOW-UHFFFAOYSA-N 1 2 295.343 -1.491 20 0 CAADLO CN(CC[N@@H+](C)CC(N)=O)C(=O)CCn1cnccc1=O ZINC001496810950 893535681 /nfs/dbraw/zinc/53/56/81/893535681.db2.gz UEMQJJRIOYXZOW-UHFFFAOYSA-N 1 2 295.343 -1.491 20 0 CAADLO CC[C@H](C)NC(=O)C[N@H+](C)CCN(C)C(=O)C(N)=O ZINC001496772937 893536173 /nfs/dbraw/zinc/53/61/73/893536173.db2.gz PKUUDPRTHPTTCH-VIFPVBQESA-N 1 2 272.349 -1.223 20 0 CAADLO CC[C@H](C)NC(=O)C[N@@H+](C)CCN(C)C(=O)C(N)=O ZINC001496772937 893536192 /nfs/dbraw/zinc/53/61/92/893536192.db2.gz PKUUDPRTHPTTCH-VIFPVBQESA-N 1 2 272.349 -1.223 20 0 CAADLO CNC(=O)C[N@H+](C)CCN(C)C(=O)C[C@H]1CC(=O)NC1=O ZINC001496847127 893537010 /nfs/dbraw/zinc/53/70/10/893537010.db2.gz NNTIHVYDXARJCI-SECBINFHSA-N 1 2 298.343 -1.825 20 0 CAADLO CNC(=O)C[N@@H+](C)CCN(C)C(=O)C[C@H]1CC(=O)NC1=O ZINC001496847127 893537016 /nfs/dbraw/zinc/53/70/16/893537016.db2.gz NNTIHVYDXARJCI-SECBINFHSA-N 1 2 298.343 -1.825 20 0 CAADLO CCc1noc(C[NH2+]C[C@H](O)CNC(=O)COC)n1 ZINC001496925311 893544283 /nfs/dbraw/zinc/54/42/83/893544283.db2.gz UFCVIKWVEYIEGD-QMMMGPOBSA-N 1 2 272.305 -1.155 20 0 CAADLO CC(=O)N(C)CC(=O)NC[C@@H](O)C[NH2+]Cc1nnc(C)o1 ZINC001496944329 893546209 /nfs/dbraw/zinc/54/62/09/893546209.db2.gz IPLXLBQMNQLEDN-JTQLQIEISA-N 1 2 299.331 -1.577 20 0 CAADLO Cc1nnc(C[NH2+]C[C@H](O)CNC(=O)Cc2cc[nH]n2)o1 ZINC001496957619 893557502 /nfs/dbraw/zinc/55/75/02/893557502.db2.gz LCHCJRSWUWHHCW-JTQLQIEISA-N 1 2 294.315 -1.089 20 0 CAADLO Cn1nncc1C(=O)NC[C@@H](O)C[NH2+]Cc1csnn1 ZINC001496976124 893565444 /nfs/dbraw/zinc/56/54/44/893565444.db2.gz LTTFGOXKXLGOMX-QMMMGPOBSA-N 1 2 297.344 -1.453 20 0 CAADLO Cn1ncc(C[NH2+]C[C@H](O)CNC(=O)c2cn[nH]n2)n1 ZINC001497004380 893576026 /nfs/dbraw/zinc/57/60/26/893576026.db2.gz IEYVOCDWCPKYRI-QMMMGPOBSA-N 1 2 280.292 -2.186 20 0 CAADLO Cn1ncc(C[NH2+]C[C@H](O)CNC(=O)c2cnn[nH]2)n1 ZINC001497004380 893576032 /nfs/dbraw/zinc/57/60/32/893576032.db2.gz IEYVOCDWCPKYRI-QMMMGPOBSA-N 1 2 280.292 -2.186 20 0 CAADLO Cn1ncc(C[NH2+]C[C@@H](O)CNC(=O)c2cn[nH]n2)n1 ZINC001497004378 893577787 /nfs/dbraw/zinc/57/77/87/893577787.db2.gz IEYVOCDWCPKYRI-MRVPVSSYSA-N 1 2 280.292 -2.186 20 0 CAADLO Cn1ncc(C[NH2+]C[C@@H](O)CNC(=O)c2cnn[nH]2)n1 ZINC001497004378 893577798 /nfs/dbraw/zinc/57/77/98/893577798.db2.gz IEYVOCDWCPKYRI-MRVPVSSYSA-N 1 2 280.292 -2.186 20 0 CAADLO C[C@H](CC[NH2+]Cc1nnn(C)n1)NC(=O)c1cn[nH]n1 ZINC001497219961 893612627 /nfs/dbraw/zinc/61/26/27/893612627.db2.gz LSELOLDYUGBUEK-SSDOTTSWSA-N 1 2 279.308 -1.374 20 0 CAADLO C[C@@H](CC[NH2+]Cc1nnn(C)n1)NC(=O)Cc1nc[nH]n1 ZINC001497297804 893615830 /nfs/dbraw/zinc/61/58/30/893615830.db2.gz FMLGJFPLPVGIOJ-QMMMGPOBSA-N 1 2 293.335 -1.445 20 0 CAADLO C[C@H](CC[NH2+]Cc1nnn(C)n1)NC(=O)Cc1nc[nH]n1 ZINC001497297800 893616357 /nfs/dbraw/zinc/61/63/57/893616357.db2.gz FMLGJFPLPVGIOJ-MRVPVSSYSA-N 1 2 293.335 -1.445 20 0 CAADLO CC(=O)NCC(=O)NC/C=C\C[NH2+]Cc1cnn(C)n1 ZINC001497518350 893620181 /nfs/dbraw/zinc/62/01/81/893620181.db2.gz HHBVGXMVDFVMRN-ARJAWSKDSA-N 1 2 280.332 -1.287 20 0 CAADLO COC(=O)NCC(=O)NC/C=C\C[NH2+]Cc1ncnn1C ZINC001497534421 893621309 /nfs/dbraw/zinc/62/13/09/893621309.db2.gz BBNMHNDFLVHBAS-ARJAWSKDSA-N 1 2 296.331 -1.067 20 0 CAADLO Cn1ncnc1C[NH2+]C/C=C/CNC(=O)[C@@H]1COCCO1 ZINC001497537024 893624712 /nfs/dbraw/zinc/62/47/12/893624712.db2.gz QCZZUQZAIOBDLG-VUDBWIFFSA-N 1 2 295.343 -1.008 20 0 CAADLO Cn1ncnc1C[NH2+]C/C=C\CNC(=O)[C@@H]1COCCO1 ZINC001497537023 893624926 /nfs/dbraw/zinc/62/49/26/893624926.db2.gz QCZZUQZAIOBDLG-QUCGXOGASA-N 1 2 295.343 -1.008 20 0 CAADLO Cn1ncnc1C[NH2+]CC=CCNC(=O)[C@@H]1CNC(=O)N1 ZINC001497669498 893626751 /nfs/dbraw/zinc/62/67/51/893626751.db2.gz NBXFCTNUPQKING-HPOULIHZSA-N 1 2 293.331 -1.742 20 0 CAADLO Cn1ncc(C[NH2+]C/C=C\CNC(=O)c2nnn(C)n2)n1 ZINC001497648975 893626950 /nfs/dbraw/zinc/62/69/50/893626950.db2.gz ALVCNFYODZMOMJ-ARJAWSKDSA-N 1 2 291.319 -1.586 20 0 CAADLO Cn1ncnc1C[NH2+]CC=CCNC(=O)[C@H]1CNC(=O)N1 ZINC001497669493 893627710 /nfs/dbraw/zinc/62/77/10/893627710.db2.gz NBXFCTNUPQKING-GKQMSVHHSA-N 1 2 293.331 -1.742 20 0 CAADLO Cn1ncnc1C[NH2+]CC=CCNC(=O)[C@@H]1CNC(=O)N1 ZINC001497669501 893627858 /nfs/dbraw/zinc/62/78/58/893627858.db2.gz NBXFCTNUPQKING-XADBCAIWSA-N 1 2 293.331 -1.742 20 0 CAADLO NC(=O)C(=O)NC/C=C\C[NH2+]Cc1nnnn1C1CC1 ZINC001497670834 893628049 /nfs/dbraw/zinc/62/80/49/893628049.db2.gz YGXWBUQRWHBYJI-UPHRSURJSA-N 1 2 279.304 -1.745 20 0 CAADLO Cn1ncnc1C[NH2+]C/C=C\CNC(=O)[C@@H]1CCC(=O)N1 ZINC001497724477 893630884 /nfs/dbraw/zinc/63/08/84/893630884.db2.gz CIKOXYPJMZSHQE-ZMWSMAPVSA-N 1 2 292.343 -1.144 20 0 CAADLO CC(=O)N1CC[NH+](CCN(C)C(=O)Cc2nnc[nH]2)CC1 ZINC001497854887 893637244 /nfs/dbraw/zinc/63/72/44/893637244.db2.gz MDARCNBQOUKZFM-UHFFFAOYSA-N 1 2 294.359 -1.030 20 0 CAADLO CC(=O)N(C)CC[NH+]1CCN(C(=O)[C@@H]2CCC(=O)N2)CC1 ZINC001497838390 893637748 /nfs/dbraw/zinc/63/77/48/893637748.db2.gz BLCPDOXSPZLEPY-LBPRGKRZSA-N 1 2 296.371 -1.113 20 0 CAADLO CC(=O)NCC(=O)N1CC[NH+](CCN(C)C(C)=O)CC1 ZINC001497838908 893638266 /nfs/dbraw/zinc/63/82/66/893638266.db2.gz MCTDAVDFZKHMEQ-UHFFFAOYSA-N 1 2 284.360 -1.255 20 0 CAADLO CCc1nnc(C[NH2+]C[C@@H](C)NC(=O)C(N)=O)o1 ZINC001497895930 893641654 /nfs/dbraw/zinc/64/16/54/893641654.db2.gz KNRKAUZSSNYZAE-ZCFIWIBFSA-N 1 2 255.278 -1.288 20 0 CAADLO COCCc1noc(C[NH2+]C[C@@H](C)NC(=O)C(N)=O)n1 ZINC001497895700 893642512 /nfs/dbraw/zinc/64/25/12/893642512.db2.gz ANODGOCIZXVOAI-SSDOTTSWSA-N 1 2 285.304 -1.662 20 0 CAADLO COCc1noc(C[NH2+]C[C@H](C)NC(=O)CC(N)=O)n1 ZINC001498025613 893649446 /nfs/dbraw/zinc/64/94/46/893649446.db2.gz AIAJDHQQZCLHSZ-ZETCQYMHSA-N 1 2 285.304 -1.314 20 0 CAADLO CCc1noc(C[NH2+]C[C@H](C)NC(=O)C(N)=O)n1 ZINC001498100639 893654627 /nfs/dbraw/zinc/65/46/27/893654627.db2.gz HCDQYZZVPXPMAV-LURJTMIESA-N 1 2 255.278 -1.288 20 0 CAADLO CCc1noc(C[NH2+]C[C@H](C)NC(=O)[C@@H]2CNC(=O)N2)n1 ZINC001498100219 893654724 /nfs/dbraw/zinc/65/47/24/893654724.db2.gz UTDXBMCOCJFBJZ-YUMQZZPRSA-N 1 2 296.331 -1.092 20 0 CAADLO CCc1noc(C[NH2+]C[C@H](C)NC(=O)[C@H]2CNC(=O)N2)n1 ZINC001498100218 893655685 /nfs/dbraw/zinc/65/56/85/893655685.db2.gz UTDXBMCOCJFBJZ-JGVFFNPUSA-N 1 2 296.331 -1.092 20 0 CAADLO COC(=O)NCC(=O)NC1CN(C(=O)Cn2cc[nH+]c2)C1 ZINC001498112808 893658442 /nfs/dbraw/zinc/65/84/42/893658442.db2.gz XBFUUWTVJBKFFQ-UHFFFAOYSA-N 1 2 295.299 -1.434 20 0 CAADLO Cc1nc(CC(=O)N[C@@H](C)C[N@H+](C)[C@H]2CCNC2=O)n[nH]1 ZINC001498277840 893666649 /nfs/dbraw/zinc/66/66/49/893666649.db2.gz YXWXKBKHOFACSN-WPRPVWTQSA-N 1 2 294.359 -1.019 20 0 CAADLO Cc1nc(CC(=O)N[C@@H](C)C[N@@H+](C)[C@H]2CCNC2=O)n[nH]1 ZINC001498277840 893666663 /nfs/dbraw/zinc/66/66/63/893666663.db2.gz YXWXKBKHOFACSN-WPRPVWTQSA-N 1 2 294.359 -1.019 20 0 CAADLO NC(=O)CCCC(=O)NC1CN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001498269940 893666701 /nfs/dbraw/zinc/66/67/01/893666701.db2.gz PMNWFIIFIRNYGU-UHFFFAOYSA-N 1 2 293.327 -1.065 20 0 CAADLO Cc1nc(CC(=O)N[C@H](C)C[N@H+](C)[C@H]2CCNC2=O)n[nH]1 ZINC001498277838 893667465 /nfs/dbraw/zinc/66/74/65/893667465.db2.gz YXWXKBKHOFACSN-SCZZXKLOSA-N 1 2 294.359 -1.019 20 0 CAADLO Cc1nc(CC(=O)N[C@H](C)C[N@@H+](C)[C@H]2CCNC2=O)n[nH]1 ZINC001498277838 893667470 /nfs/dbraw/zinc/66/74/70/893667470.db2.gz YXWXKBKHOFACSN-SCZZXKLOSA-N 1 2 294.359 -1.019 20 0 CAADLO Cc1nc(CC(=O)N[C@@H](C)C[N@H+](C)[C@H](C)C(N)=O)n[nH]1 ZINC001498277130 893667924 /nfs/dbraw/zinc/66/79/24/893667924.db2.gz POCFFCYEHJPELR-JGVFFNPUSA-N 1 2 282.348 -1.034 20 0 CAADLO Cc1nc(CC(=O)N[C@@H](C)C[N@@H+](C)[C@H](C)C(N)=O)n[nH]1 ZINC001498277130 893667932 /nfs/dbraw/zinc/66/79/32/893667932.db2.gz POCFFCYEHJPELR-JGVFFNPUSA-N 1 2 282.348 -1.034 20 0 CAADLO C[C@@H](C[N@H+](C)CC(=O)NC(C)(C)C)NC(=O)C(N)=O ZINC001498392168 893674378 /nfs/dbraw/zinc/67/43/78/893674378.db2.gz CPGSOAJVSKCHJE-QMMMGPOBSA-N 1 2 272.349 -1.177 20 0 CAADLO C[C@@H](C[N@@H+](C)CC(=O)NC(C)(C)C)NC(=O)C(N)=O ZINC001498392168 893674382 /nfs/dbraw/zinc/67/43/82/893674382.db2.gz CPGSOAJVSKCHJE-QMMMGPOBSA-N 1 2 272.349 -1.177 20 0 CAADLO C[C@H](C[N@H+](C)CC(=O)N1CCNC(=O)C1)NC(=O)C(N)=O ZINC001498394079 893674410 /nfs/dbraw/zinc/67/44/10/893674410.db2.gz JIMTXDCNQWFUKM-MRVPVSSYSA-N 1 2 299.331 -3.133 20 0 CAADLO C[C@H](C[N@@H+](C)CC(=O)N1CCNC(=O)C1)NC(=O)C(N)=O ZINC001498394079 893674413 /nfs/dbraw/zinc/67/44/13/893674413.db2.gz JIMTXDCNQWFUKM-MRVPVSSYSA-N 1 2 299.331 -3.133 20 0 CAADLO CC[C@H](C)NC(=O)C[N@H+](C)C[C@@H](C)NC(=O)C(N)=O ZINC001498396119 893674740 /nfs/dbraw/zinc/67/47/40/893674740.db2.gz OWDZNSUZLJODDS-DTWKUNHWSA-N 1 2 272.349 -1.177 20 0 CAADLO CC[C@H](C)NC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)C(N)=O ZINC001498396119 893674744 /nfs/dbraw/zinc/67/47/44/893674744.db2.gz OWDZNSUZLJODDS-DTWKUNHWSA-N 1 2 272.349 -1.177 20 0 CAADLO C[C@H](C[N@H+](C)CC(=O)NC(C)(C)C)NC(=O)C(N)=O ZINC001498392167 893675379 /nfs/dbraw/zinc/67/53/79/893675379.db2.gz CPGSOAJVSKCHJE-MRVPVSSYSA-N 1 2 272.349 -1.177 20 0 CAADLO C[C@H](C[N@@H+](C)CC(=O)NC(C)(C)C)NC(=O)C(N)=O ZINC001498392167 893675387 /nfs/dbraw/zinc/67/53/87/893675387.db2.gz CPGSOAJVSKCHJE-MRVPVSSYSA-N 1 2 272.349 -1.177 20 0 CAADLO CC[C@H](C)NC(=O)C[N@H+](C)C[C@H](C)NC(=O)C(N)=O ZINC001498396122 893678199 /nfs/dbraw/zinc/67/81/99/893678199.db2.gz OWDZNSUZLJODDS-IUCAKERBSA-N 1 2 272.349 -1.177 20 0 CAADLO CC[C@H](C)NC(=O)C[N@@H+](C)C[C@H](C)NC(=O)C(N)=O ZINC001498396122 893678209 /nfs/dbraw/zinc/67/82/09/893678209.db2.gz OWDZNSUZLJODDS-IUCAKERBSA-N 1 2 272.349 -1.177 20 0 CAADLO C[C@H](NC(N)=O)C(=O)N1CC(NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001498444857 893680406 /nfs/dbraw/zinc/68/04/06/893680406.db2.gz RKURSBWIHAFTBZ-ZETCQYMHSA-N 1 2 294.315 -1.664 20 0 CAADLO CN(CCC[NH2+]Cc1nnn(C)n1)C(=O)c1cnnn1C ZINC001498542780 893681556 /nfs/dbraw/zinc/68/15/56/893681556.db2.gz KNIOXRRUMQRVJQ-UHFFFAOYSA-N 1 2 293.335 -1.410 20 0 CAADLO NC(=O)CC(=O)N1CC(CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001498587122 893684563 /nfs/dbraw/zinc/68/45/63/893684563.db2.gz HNAGLEBRMLBAQB-UHFFFAOYSA-N 1 2 293.327 -1.208 20 0 CAADLO NC(=O)CC(=O)N1CC(CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001498587122 893684572 /nfs/dbraw/zinc/68/45/72/893684572.db2.gz HNAGLEBRMLBAQB-UHFFFAOYSA-N 1 2 293.327 -1.208 20 0 CAADLO CN(CCC[NH2+]Cc1nnn(C)n1)C(=O)c1nc[nH]n1 ZINC001498627740 893684905 /nfs/dbraw/zinc/68/49/05/893684905.db2.gz GHMHLAZBWLATFU-UHFFFAOYSA-N 1 2 279.308 -1.420 20 0 CAADLO Cc1nonc1C[NH2+]C[C@H](NC(=O)C(N)=O)C1CC1 ZINC001498814567 893692231 /nfs/dbraw/zinc/69/22/31/893692231.db2.gz KQXSEZMMPNGFJR-VIFPVBQESA-N 1 2 267.289 -1.152 20 0 CAADLO Cn1nnnc1C[NH2+]C[C@H](NC(=O)c1nnc[nH]1)C1CC1 ZINC001498846300 893692367 /nfs/dbraw/zinc/69/23/67/893692367.db2.gz XZXBIPIJAVOUJI-QMMMGPOBSA-N 1 2 291.319 -1.374 20 0 CAADLO CC(=O)NCC(=O)NC[C@@H]1CC[N@@H+]1[C@H]1CCNC1=O ZINC001498911839 893693217 /nfs/dbraw/zinc/69/32/17/893693217.db2.gz AHCGSJZMSMYQRC-UWVGGRQHSA-N 1 2 268.317 -1.799 20 0 CAADLO CC(=O)NCC(=O)NC[C@@H]1CC[N@H+]1[C@H]1CCNC1=O ZINC001498911839 893693226 /nfs/dbraw/zinc/69/32/26/893693226.db2.gz AHCGSJZMSMYQRC-UWVGGRQHSA-N 1 2 268.317 -1.799 20 0 CAADLO CC(=O)NCC(=O)NC[C@@H]1CC[N@@H+]1CCNC(=O)C1CC1 ZINC001498912173 893693772 /nfs/dbraw/zinc/69/37/72/893693772.db2.gz FCUOUILEWPEVKG-LBPRGKRZSA-N 1 2 296.371 -1.161 20 0 CAADLO CC(=O)NCC(=O)NC[C@@H]1CC[N@H+]1CCNC(=O)C1CC1 ZINC001498912173 893693783 /nfs/dbraw/zinc/69/37/83/893693783.db2.gz FCUOUILEWPEVKG-LBPRGKRZSA-N 1 2 296.371 -1.161 20 0 CAADLO CC(=O)NCC(=O)NC[C@H]1CC[N@H+]1[C@H](C)C(=O)NC(N)=O ZINC001498913317 893695698 /nfs/dbraw/zinc/69/56/98/893695698.db2.gz TVBPVDDUOIIGJW-VXNVDRBHSA-N 1 2 299.331 -2.104 20 0 CAADLO CC(=O)NCC(=O)NC[C@H]1CC[N@@H+]1[C@H](C)C(=O)NC(N)=O ZINC001498913317 893695710 /nfs/dbraw/zinc/69/57/10/893695710.db2.gz TVBPVDDUOIIGJW-VXNVDRBHSA-N 1 2 299.331 -2.104 20 0 CAADLO NC(=O)CC(=O)NC[C@@H]1CC[N@@H+]1[C@@H]1CCNC1=O ZINC001498953241 893695861 /nfs/dbraw/zinc/69/58/61/893695861.db2.gz SDIMHBTVQWYISP-JGVFFNPUSA-N 1 2 254.290 -2.059 20 0 CAADLO NC(=O)CC(=O)NC[C@@H]1CC[N@H+]1[C@@H]1CCNC1=O ZINC001498953241 893695870 /nfs/dbraw/zinc/69/58/70/893695870.db2.gz SDIMHBTVQWYISP-JGVFFNPUSA-N 1 2 254.290 -2.059 20 0 CAADLO CN(C)C(=O)C[N@@H+]1CC[C@@H]1CNC(=O)CN1CCOCC1 ZINC001498959138 893696341 /nfs/dbraw/zinc/69/63/41/893696341.db2.gz FHADHGBUMVCILF-GFCCVEGCSA-N 1 2 298.387 -1.403 20 0 CAADLO CN(C)C(=O)C[N@H+]1CC[C@@H]1CNC(=O)CN1CCOCC1 ZINC001498959138 893696350 /nfs/dbraw/zinc/69/63/50/893696350.db2.gz FHADHGBUMVCILF-GFCCVEGCSA-N 1 2 298.387 -1.403 20 0 CAADLO CC[C@H](C(N)=O)[N@@H+]1CC[C@H]1CNC(=O)CNC(C)=O ZINC001498913442 893697010 /nfs/dbraw/zinc/69/70/10/893697010.db2.gz UJTKSTSCSLOCIU-VHSXEESVSA-N 1 2 270.333 -1.423 20 0 CAADLO CC[C@H](C(N)=O)[N@H+]1CC[C@H]1CNC(=O)CNC(C)=O ZINC001498913442 893697016 /nfs/dbraw/zinc/69/70/16/893697016.db2.gz UJTKSTSCSLOCIU-VHSXEESVSA-N 1 2 270.333 -1.423 20 0 CAADLO Cn1cc(C[N@@H+]2CC[C@H]2CNC(=O)Cn2cnnn2)cn1 ZINC001498920387 893697190 /nfs/dbraw/zinc/69/71/90/893697190.db2.gz LCRBPTWZLJPWRQ-NSHDSACASA-N 1 2 290.331 -1.203 20 0 CAADLO Cn1cc(C[N@H+]2CC[C@H]2CNC(=O)Cn2cnnn2)cn1 ZINC001498920387 893697198 /nfs/dbraw/zinc/69/71/98/893697198.db2.gz LCRBPTWZLJPWRQ-NSHDSACASA-N 1 2 290.331 -1.203 20 0 CAADLO CC[C@H](CNC(=O)CC(N)=O)NC(=O)Cc1[nH]cc[nH+]1 ZINC001498982217 893699610 /nfs/dbraw/zinc/69/96/10/893699610.db2.gz YLFDTPUOEUUDCX-MRVPVSSYSA-N 1 2 281.316 -1.161 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+]1CC[C@@H]1CNC(=O)C(C)(C)C(N)=O ZINC001499000864 893701276 /nfs/dbraw/zinc/70/12/76/893701276.db2.gz XDSNKQJDZJOZGE-RKDXNWHRSA-N 1 2 284.360 -1.177 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+]1CC[C@@H]1CNC(=O)C(C)(C)C(N)=O ZINC001499000864 893701292 /nfs/dbraw/zinc/70/12/92/893701292.db2.gz XDSNKQJDZJOZGE-RKDXNWHRSA-N 1 2 284.360 -1.177 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+]1CC[C@@H]1CNC(=O)C(C)(C)C(N)=O ZINC001499000862 893701465 /nfs/dbraw/zinc/70/14/65/893701465.db2.gz XDSNKQJDZJOZGE-DTWKUNHWSA-N 1 2 284.360 -1.177 20 0 CAADLO CNC(=O)[C@H](C)[N@H+]1CC[C@@H]1CNC(=O)C(C)(C)C(N)=O ZINC001499000862 893701477 /nfs/dbraw/zinc/70/14/77/893701477.db2.gz XDSNKQJDZJOZGE-DTWKUNHWSA-N 1 2 284.360 -1.177 20 0 CAADLO CCN(C)C(=O)C[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001499066409 893704980 /nfs/dbraw/zinc/70/49/80/893704980.db2.gz HSTXNQWOVZUJBA-MXWKQRLJSA-N 1 2 296.371 -1.223 20 0 CAADLO CCN(C)C(=O)C[N@H+]1CC[C@@H]1CNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001499066409 893704993 /nfs/dbraw/zinc/70/49/93/893704993.db2.gz HSTXNQWOVZUJBA-MXWKQRLJSA-N 1 2 296.371 -1.223 20 0 CAADLO CCN(C)C(=O)C[N@@H+]1CC[C@H]1CNC(=O)C1(C(N)=O)CC1 ZINC001499049639 893705319 /nfs/dbraw/zinc/70/53/19/893705319.db2.gz JKRYPAXEOPJMMV-JTQLQIEISA-N 1 2 296.371 -1.079 20 0 CAADLO CCN(C)C(=O)C[N@H+]1CC[C@H]1CNC(=O)C1(C(N)=O)CC1 ZINC001499049639 893705323 /nfs/dbraw/zinc/70/53/23/893705323.db2.gz JKRYPAXEOPJMMV-JTQLQIEISA-N 1 2 296.371 -1.079 20 0 CAADLO NC(=O)NCCC(=O)NC[C@@H]1CC[N@@H+]1CC(=O)N1CCC1 ZINC001499114326 893705500 /nfs/dbraw/zinc/70/55/00/893705500.db2.gz LFNQTDKZYDYKJT-JTQLQIEISA-N 1 2 297.359 -1.532 20 0 CAADLO NC(=O)NCCC(=O)NC[C@@H]1CC[N@H+]1CC(=O)N1CCC1 ZINC001499114326 893705506 /nfs/dbraw/zinc/70/55/06/893705506.db2.gz LFNQTDKZYDYKJT-JTQLQIEISA-N 1 2 297.359 -1.532 20 0 CAADLO NC(=O)NCCC(=O)NC[C@H]1CC[N@@H+]1[C@@H]1CCNC1=O ZINC001499114309 893705854 /nfs/dbraw/zinc/70/58/54/893705854.db2.gz KULNHXJKHVNRLQ-RKDXNWHRSA-N 1 2 283.332 -1.876 20 0 CAADLO NC(=O)NCCC(=O)NC[C@H]1CC[N@H+]1[C@@H]1CCNC1=O ZINC001499114309 893705863 /nfs/dbraw/zinc/70/58/63/893705863.db2.gz KULNHXJKHVNRLQ-RKDXNWHRSA-N 1 2 283.332 -1.876 20 0 CAADLO CO[C@H](C)C(=O)NCC1([NH2+]Cc2nnnn2C)CC1 ZINC001499171699 893708110 /nfs/dbraw/zinc/70/81/10/893708110.db2.gz XKRCOSIMFIBHAA-MRVPVSSYSA-N 1 2 268.321 -1.017 20 0 CAADLO Cc1nnc(C[NH2+]C2(CNC(=O)[C@H](C)NC(N)=O)CC2)[nH]1 ZINC001499209922 893708155 /nfs/dbraw/zinc/70/81/55/893708155.db2.gz ZVHNSYNNYYMXGK-ZETCQYMHSA-N 1 2 295.347 -1.092 20 0 CAADLO O=C(Cn1cc[nH+]c1)NC[C@H]1CCN1[C@@H]1CCNC1=O ZINC001499136138 893708731 /nfs/dbraw/zinc/70/87/31/893708731.db2.gz HZBGQALOCXJORK-GHMZBOCLSA-N 1 2 277.328 -1.038 20 0 CAADLO O=C(Cn1cc[nH+]c1)NC[C@@H]1CCN1[C@H]1CCNC1=O ZINC001499136140 893709124 /nfs/dbraw/zinc/70/91/24/893709124.db2.gz HZBGQALOCXJORK-QWRGUYRKSA-N 1 2 277.328 -1.038 20 0 CAADLO Cn1cnnc1C[NH2+]C1(CNC(=O)CC(N)=O)CC1 ZINC001499188360 893709288 /nfs/dbraw/zinc/70/92/88/893709288.db2.gz XLKOBMZTBYELRH-UHFFFAOYSA-N 1 2 266.305 -1.571 20 0 CAADLO Cn1ncnc1C[NH2+]C1(CNC(=O)Cn2ncnn2)CC1 ZINC001499228238 893709563 /nfs/dbraw/zinc/70/95/63/893709563.db2.gz FLGOLHVILZCQCU-UHFFFAOYSA-N 1 2 291.319 -1.760 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CC[C@H]1CNC(=O)CCCC(N)=O ZINC001499135422 893710099 /nfs/dbraw/zinc/71/00/99/893710099.db2.gz AAFKONIOTRYLAB-IUCAKERBSA-N 1 2 270.333 -1.294 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CC[C@H]1CNC(=O)CCCC(N)=O ZINC001499135422 893710107 /nfs/dbraw/zinc/71/01/07/893710107.db2.gz AAFKONIOTRYLAB-IUCAKERBSA-N 1 2 270.333 -1.294 20 0 CAADLO CC[C@H](CNC(=O)C(N)=O)NC(=O)Cc1[nH]cc[nH+]1 ZINC001499320588 893713160 /nfs/dbraw/zinc/71/31/60/893713160.db2.gz AXSJEKARTGMZDA-SSDOTTSWSA-N 1 2 267.289 -1.552 20 0 CAADLO Cn1nnnc1C[NH2+]C1(CNC(=O)[C@H]2CCNC2=O)CC1 ZINC001499310808 893714603 /nfs/dbraw/zinc/71/46/03/893714603.db2.gz SOUDKCFBCOWENW-QMMMGPOBSA-N 1 2 293.331 -1.915 20 0 CAADLO Cn1nnnc1C[NH2+]C1(CNC(=O)[C@@H]2CNC(=O)N2)CC1 ZINC001499334383 893717125 /nfs/dbraw/zinc/71/71/25/893717125.db2.gz BDOVWCZJJVHXAJ-ZETCQYMHSA-N 1 2 294.319 -2.370 20 0 CAADLO Cc1nnc(C[NH2+]C2(CNC(=O)[C@H]3CNC(=O)N3)CC2)[nH]1 ZINC001499335319 893717672 /nfs/dbraw/zinc/71/76/72/893717672.db2.gz SGNBYVWZSJBGTM-MRVPVSSYSA-N 1 2 293.331 -1.467 20 0 CAADLO C[C@H]([NH2+]C1(CNC(=O)C(N)=O)CC1)c1nnnn1C1CC1 ZINC001499336189 893718203 /nfs/dbraw/zinc/71/82/03/893718203.db2.gz LWMLVQDTAIRJKM-ZETCQYMHSA-N 1 2 293.331 -1.207 20 0 CAADLO Cn1ccnc1C[NH2+]C1(CNC(=O)C(N)=O)CC1 ZINC001499335697 893718569 /nfs/dbraw/zinc/71/85/69/893718569.db2.gz CYBCJQAZAGLQKR-UHFFFAOYSA-N 1 2 251.290 -1.356 20 0 CAADLO CC[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)NC(=O)CC(N)=O ZINC001499406768 893719229 /nfs/dbraw/zinc/71/92/29/893719229.db2.gz OHSCZKWEOFSZTF-QMMMGPOBSA-N 1 2 281.316 -1.161 20 0 CAADLO Cn1nnnc1C[NH2+]C1(CNC(=O)[C@H]2CNC(=O)N2)CC1 ZINC001499334382 893719510 /nfs/dbraw/zinc/71/95/10/893719510.db2.gz BDOVWCZJJVHXAJ-SSDOTTSWSA-N 1 2 294.319 -2.370 20 0 CAADLO CN(C(=O)CCn1cncn1)C1C[NH+](CCO)C1 ZINC001499629870 893720475 /nfs/dbraw/zinc/72/04/75/893720475.db2.gz IEEIGLNCPPLRQC-UHFFFAOYSA-N 1 2 253.306 -1.197 20 0 CAADLO C[C@H](NC(N)=O)C(=O)N(C)C1C[NH+](CCn2cncn2)C1 ZINC001499655753 893720585 /nfs/dbraw/zinc/72/05/85/893720585.db2.gz JVHYZSNDONPROO-VIFPVBQESA-N 1 2 295.347 -1.523 20 0 CAADLO CN(CC(=O)N(C)C1C[NH+](CCO)C1)C(=O)C1CC1 ZINC001499683194 893721553 /nfs/dbraw/zinc/72/15/53/893721553.db2.gz FMGZMFRXVWZOAM-UHFFFAOYSA-N 1 2 269.345 -1.010 20 0 CAADLO CN(C(=O)Cn1cc[nH+]c1)C1CN(CC(=O)NC(N)=O)C1 ZINC001499804974 893724319 /nfs/dbraw/zinc/72/43/19/893724319.db2.gz NBISXSPRNKPRNU-UHFFFAOYSA-N 1 2 294.315 -1.779 20 0 CAADLO COCC[NH+]1CC(N(C)C(=O)CCn2cnnn2)C1 ZINC001499760883 893724658 /nfs/dbraw/zinc/72/46/58/893724658.db2.gz KHFRAFCEQBTEPP-UHFFFAOYSA-N 1 2 268.321 -1.148 20 0 CAADLO CN(C(=O)C(=O)NCC(F)F)C1C[NH+](CCCO)C1 ZINC001499697380 893724928 /nfs/dbraw/zinc/72/49/28/893724928.db2.gz BCJOQLUYWUEDKB-UHFFFAOYSA-N 1 2 279.287 -1.107 20 0 CAADLO CN(C(=O)C(N)=O)C1C[NH+](CCCO[C@@H]2CCOC2)C1 ZINC001499738370 893725999 /nfs/dbraw/zinc/72/59/99/893725999.db2.gz ATXJECNMDZARRE-LLVKDONJSA-N 1 2 285.344 -1.190 20 0 CAADLO CN(C(=O)CCN1C(=O)CCC1=O)C1C[NH+](CCO)C1 ZINC001499702891 893726370 /nfs/dbraw/zinc/72/63/70/893726370.db2.gz MRZBEHCPLYETBR-UHFFFAOYSA-N 1 2 283.328 -1.340 20 0 CAADLO CCOCC[NH+]1CC(N(C)C(=O)Cn2ncn(C)c2=O)C1 ZINC001499697950 893726506 /nfs/dbraw/zinc/72/65/06/893726506.db2.gz JFOBTMIFBVFATA-UHFFFAOYSA-N 1 2 297.359 -1.239 20 0 CAADLO CNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@](C)(NC(=O)C(N)=O)C1 ZINC001500254720 893733979 /nfs/dbraw/zinc/73/39/79/893733979.db2.gz WDOWJZPJQVDHOV-KRTXAFLBSA-N 1 2 299.331 -2.104 20 0 CAADLO CNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@](C)(NC(=O)C(N)=O)C1 ZINC001500254720 893734003 /nfs/dbraw/zinc/73/40/03/893734003.db2.gz WDOWJZPJQVDHOV-KRTXAFLBSA-N 1 2 299.331 -2.104 20 0 CAADLO CCS(=O)(=O)CC(=O)N[C@]1(C)CC[N@H+](CCO)C1 ZINC001500293146 893738129 /nfs/dbraw/zinc/73/81/29/893738129.db2.gz RBXZCDHCRZDYHR-LLVKDONJSA-N 1 2 278.374 -1.006 20 0 CAADLO CCS(=O)(=O)CC(=O)N[C@]1(C)CC[N@@H+](CCO)C1 ZINC001500293146 893738138 /nfs/dbraw/zinc/73/81/38/893738138.db2.gz RBXZCDHCRZDYHR-LLVKDONJSA-N 1 2 278.374 -1.006 20 0 CAADLO Cc1nonc1C[N@@H+]1CC[C@](O)(CNC(=O)C(N)=O)C1 ZINC001500717524 893749759 /nfs/dbraw/zinc/74/97/59/893749759.db2.gz AEQWPLNZABXOEZ-NSHDSACASA-N 1 2 283.288 -2.084 20 0 CAADLO Cc1nonc1C[N@H+]1CC[C@](O)(CNC(=O)C(N)=O)C1 ZINC001500717524 893749769 /nfs/dbraw/zinc/74/97/69/893749769.db2.gz AEQWPLNZABXOEZ-NSHDSACASA-N 1 2 283.288 -2.084 20 0 CAADLO NC(=O)C(=O)NC[C@@]1(O)CC[N@H+](Cc2cnns2)C1 ZINC001500718051 893750038 /nfs/dbraw/zinc/75/00/38/893750038.db2.gz LKVNQIGRWBULGG-JTQLQIEISA-N 1 2 285.329 -1.924 20 0 CAADLO NC(=O)C(=O)NC[C@@]1(O)CC[N@@H+](Cc2cnns2)C1 ZINC001500718051 893750049 /nfs/dbraw/zinc/75/00/49/893750049.db2.gz LKVNQIGRWBULGG-JTQLQIEISA-N 1 2 285.329 -1.924 20 0 CAADLO Cc1nonc1C[N@@H+]1CC[C@@](O)(CNC(=O)C(N)=O)C1 ZINC001500717523 893752676 /nfs/dbraw/zinc/75/26/76/893752676.db2.gz AEQWPLNZABXOEZ-LLVKDONJSA-N 1 2 283.288 -2.084 20 0 CAADLO Cc1nonc1C[N@H+]1CC[C@@](O)(CNC(=O)C(N)=O)C1 ZINC001500717523 893752683 /nfs/dbraw/zinc/75/26/83/893752683.db2.gz AEQWPLNZABXOEZ-LLVKDONJSA-N 1 2 283.288 -2.084 20 0 CAADLO CC(=O)NCC(=O)NCC1(O)C[NH+](CCOC(C)C)C1 ZINC001500776918 893757303 /nfs/dbraw/zinc/75/73/03/893757303.db2.gz QKBXIFKWPMSZBE-UHFFFAOYSA-N 1 2 287.360 -1.290 20 0 CAADLO CCC(=O)NCC(=O)NCC1(O)C[NH+](C[C@@H](C)OC)C1 ZINC001500806158 893759455 /nfs/dbraw/zinc/75/94/55/893759455.db2.gz ISQPNSVPKQXYFG-SNVBAGLBSA-N 1 2 287.360 -1.290 20 0 CAADLO COC[C@H](C)C(=O)NCC1(O)C[NH+](CCCO)C1 ZINC001500803326 893759508 /nfs/dbraw/zinc/75/95/08/893759508.db2.gz KPOMULCZIYQLLX-JTQLQIEISA-N 1 2 260.334 -1.186 20 0 CAADLO COC[C@@H](C)[NH+]1CC(O)(CNC(=O)[C@H]2CCC(=O)N2)C1 ZINC001500803437 893760027 /nfs/dbraw/zinc/76/00/27/893760027.db2.gz OIXIHYXYCNKDAM-NXEZZACHSA-N 1 2 285.344 -1.537 20 0 CAADLO COC[C@H](C)[NH+]1CC(O)(CNC(=O)[C@H]2CCC(=O)N2)C1 ZINC001500803438 893760368 /nfs/dbraw/zinc/76/03/68/893760368.db2.gz OIXIHYXYCNKDAM-VHSXEESVSA-N 1 2 285.344 -1.537 20 0 CAADLO CC(C)OCC[NH+]1CC(O)(CNC(=O)[C@H]2CCC(=O)N2)C1 ZINC001500803432 893760399 /nfs/dbraw/zinc/76/03/99/893760399.db2.gz NZMRNLAJFLKADK-LLVKDONJSA-N 1 2 299.371 -1.147 20 0 CAADLO C[C@H](O)C[NH+]1CC(O)(CNC(=O)[C@H]2CCC(=O)N2)C1 ZINC001500803471 893760617 /nfs/dbraw/zinc/76/06/17/893760617.db2.gz PJGGUWBWQKLAIR-DTWKUNHWSA-N 1 2 271.317 -2.191 20 0 CAADLO CNC(=O)CCCC(=O)NCC1(O)C[NH+](C[C@H](C)O)C1 ZINC001500821035 893762811 /nfs/dbraw/zinc/76/28/11/893762811.db2.gz HOGYUSFHMQADKG-JTQLQIEISA-N 1 2 287.360 -1.554 20 0 CAADLO C[C@@H](O)C[NH+]1CC(O)(CNC(=O)c2cnn(C)c2N)C1 ZINC001500820993 893763669 /nfs/dbraw/zinc/76/36/69/893763669.db2.gz GFEHQJFVLFBYSH-MRVPVSSYSA-N 1 2 283.332 -1.840 20 0 CAADLO C[C@H](O)C[NH+]1CC(O)(CNC(=O)c2coc(C(N)=O)c2)C1 ZINC001500887065 893765779 /nfs/dbraw/zinc/76/57/79/893765779.db2.gz UFXNBLXWUFCEBF-QMMMGPOBSA-N 1 2 297.311 -1.464 20 0 CAADLO CO[C@@H](C)C[NH+]1CC(O)(CNC(=O)c2cn[nH]c(=O)c2)C1 ZINC001500858504 893766093 /nfs/dbraw/zinc/76/60/93/893766093.db2.gz KQARVCKJKOYQIC-VIFPVBQESA-N 1 2 296.327 -1.006 20 0 CAADLO O=C(NCC1(O)C[NH+](CCCO)C1)[C@H]1CCCC(=O)N1 ZINC001500859507 893766262 /nfs/dbraw/zinc/76/62/62/893766262.db2.gz ZWCNVVPXNGCTNI-SNVBAGLBSA-N 1 2 285.344 -1.800 20 0 CAADLO C[C@H](F)CC[NH+]1CC(O)(CNC(=O)Cn2ncnn2)C1 ZINC001500837217 893766456 /nfs/dbraw/zinc/76/64/56/893766456.db2.gz MFNZSPMNSGTCOM-VIFPVBQESA-N 1 2 286.311 -1.416 20 0 CAADLO CC[NH+]1CC(O)(CNC(=O)Cn2ncn(C)c2=O)C1 ZINC001500869797 893767071 /nfs/dbraw/zinc/76/70/71/893767071.db2.gz OISIUPSVIBKILN-UHFFFAOYSA-N 1 2 269.305 -2.235 20 0 CAADLO CNC(=O)NCC(=O)NCC1(O)C[NH+](C[C@H](C)O)C1 ZINC001500848173 893767730 /nfs/dbraw/zinc/76/77/30/893767730.db2.gz LGYQCSNBZZECKW-QMMMGPOBSA-N 1 2 274.321 -2.541 20 0 CAADLO CO[C@H](C)C[NH+]1CC(O)(CNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001500912088 893770125 /nfs/dbraw/zinc/77/01/25/893770125.db2.gz GWMPKJMCCSJJHC-BDAKNGLRSA-N 1 2 286.332 -2.134 20 0 CAADLO Cc1nc[nH]c(=O)c1C(=O)NCC1(O)C[NH+](C[C@@H](C)O)C1 ZINC001500907939 893769855 /nfs/dbraw/zinc/76/98/55/893769855.db2.gz ZCIZOPDPKCYOKO-MRVPVSSYSA-N 1 2 296.327 -1.352 20 0 CAADLO Cc1noc(CCC(=O)NCC2(O)C[NH+](CCCO)C2)n1 ZINC001500897313 893769917 /nfs/dbraw/zinc/76/99/17/893769917.db2.gz RWNUNIXJQMVDBE-UHFFFAOYSA-N 1 2 298.343 -1.144 20 0 CAADLO Cc1nc[nH]c(=O)c1C(=O)NCC1(O)C[NH+](C[C@H](C)O)C1 ZINC001500907941 893770309 /nfs/dbraw/zinc/77/03/09/893770309.db2.gz ZCIZOPDPKCYOKO-QMMMGPOBSA-N 1 2 296.327 -1.352 20 0 CAADLO C[C@@H](O)C[NH+]1CC(O)(CNC(=O)[C@H]2CCC(=O)N2C)C1 ZINC001500907621 893770778 /nfs/dbraw/zinc/77/07/78/893770778.db2.gz TVRKHFBJPNPFFR-NXEZZACHSA-N 1 2 285.344 -1.849 20 0 CAADLO CC[NH+]1CC(O)(CNC(=O)[C@@H]2CCC(=O)N2C)C1 ZINC001500903025 893770968 /nfs/dbraw/zinc/77/09/68/893770968.db2.gz XSXAEQDGCTWENH-VIFPVBQESA-N 1 2 255.318 -1.210 20 0 CAADLO C[C@@H](O)C[NH+]1CC(O)(CNC(=O)[C@@H]2CCC(=O)N2C)C1 ZINC001500902776 893771039 /nfs/dbraw/zinc/77/10/39/893771039.db2.gz TVRKHFBJPNPFFR-ZJUUUORDSA-N 1 2 285.344 -1.849 20 0 CAADLO CO[C@H](C)C[NH+]1CC(O)(CNC(=O)[C@H](C)CC(N)=O)C1 ZINC001500900141 893772080 /nfs/dbraw/zinc/77/20/80/893772080.db2.gz ZDALAYITEYDGBM-NXEZZACHSA-N 1 2 287.360 -1.304 20 0 CAADLO C[C@@H]1OCC[C@H]1C(=O)NCC1(O)C[NH+](CCCO)C1 ZINC001500953018 893773492 /nfs/dbraw/zinc/77/34/92/893773492.db2.gz NYFUMQBSYKVZMY-WDEREUQCSA-N 1 2 272.345 -1.043 20 0 CAADLO C[C@H](O)C[NH+]1CC(O)(CNC(=O)c2ccc(C(N)=O)[nH]2)C1 ZINC001500926832 893774436 /nfs/dbraw/zinc/77/44/36/893774436.db2.gz MCJVPFCVSYHALI-QMMMGPOBSA-N 1 2 296.327 -1.729 20 0 CAADLO C[C@H]1OCC[C@H]1C(=O)NCC1(O)C[NH+](CCCO)C1 ZINC001500953015 893774471 /nfs/dbraw/zinc/77/44/71/893774471.db2.gz NYFUMQBSYKVZMY-GHMZBOCLSA-N 1 2 272.345 -1.043 20 0 CAADLO COCc1nocc1C(=O)NCC1(O)C[NH+](C[C@H](C)O)C1 ZINC001500962641 893774607 /nfs/dbraw/zinc/77/46/07/893774607.db2.gz MFNZBAVTSOTSBN-VIFPVBQESA-N 1 2 299.327 -1.022 20 0 CAADLO CNC(=O)C1(C(=O)NCC2(O)C[NH+](C[C@@H](C)OC)C2)CC1 ZINC001500946823 893774777 /nfs/dbraw/zinc/77/47/77/893774777.db2.gz PHBYGZFEPIXYKW-SNVBAGLBSA-N 1 2 299.371 -1.290 20 0 CAADLO CC[NH+]1CC(O)(CNC(=O)CNS(=O)(=O)N(C)C)C1 ZINC001500937653 893774886 /nfs/dbraw/zinc/77/48/86/893774886.db2.gz RJDVDDODLDSTBU-UHFFFAOYSA-N 1 2 294.377 -2.435 20 0 CAADLO CCC[NH+]1CC(O)(CNC(=O)c2nccnc2C(N)=O)C1 ZINC001500975180 893777224 /nfs/dbraw/zinc/77/72/24/893777224.db2.gz FPQMAFATJGWQKB-UHFFFAOYSA-N 1 2 293.327 -1.238 20 0 CAADLO NC(=O)CCCC(=O)NCC1(O)C[NH+](CCCO)C1 ZINC001500991844 893777299 /nfs/dbraw/zinc/77/72/99/893777299.db2.gz UBYGHDVAJRYSBK-UHFFFAOYSA-N 1 2 273.333 -1.813 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@@](CO)(NC(=O)Cc2cnoc2)C1 ZINC001501341638 893784031 /nfs/dbraw/zinc/78/40/31/893784031.db2.gz LXCNGCPANLHROU-CYBMUJFWSA-N 1 2 296.327 -1.355 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@@](CO)(NC(=O)Cc2cnoc2)C1 ZINC001501341638 893784040 /nfs/dbraw/zinc/78/40/40/893784040.db2.gz LXCNGCPANLHROU-CYBMUJFWSA-N 1 2 296.327 -1.355 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@@](CO)(NC(=O)C2CCOCC2)C1 ZINC001501293078 893784307 /nfs/dbraw/zinc/78/43/07/893784307.db2.gz QTPRZZGEEPYXDJ-CQSZACIVSA-N 1 2 299.371 -1.159 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@@](CO)(NC(=O)C2CCOCC2)C1 ZINC001501293078 893784315 /nfs/dbraw/zinc/78/43/15/893784315.db2.gz QTPRZZGEEPYXDJ-CQSZACIVSA-N 1 2 299.371 -1.159 20 0 CAADLO NC(=O)C(=O)N[C@]1(CO)CCC[N@H+](CC(=O)N2CCC2)C1 ZINC001501345034 893784438 /nfs/dbraw/zinc/78/44/38/893784438.db2.gz AAOZPVRWQURSCT-CYBMUJFWSA-N 1 2 298.343 -2.353 20 0 CAADLO NC(=O)C(=O)N[C@]1(CO)CCC[N@@H+](CC(=O)N2CCC2)C1 ZINC001501345034 893784444 /nfs/dbraw/zinc/78/44/44/893784444.db2.gz AAOZPVRWQURSCT-CYBMUJFWSA-N 1 2 298.343 -2.353 20 0 CAADLO NC(=O)C(=O)NC[C@@H]1CCC[C@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC001501367005 893785640 /nfs/dbraw/zinc/78/56/40/893785640.db2.gz WGBZQJAMALHXLT-WCBMZHEXSA-N 1 2 293.327 -1.161 20 0 CAADLO NC(=O)C(=O)NC[C@@H]1CCC[C@@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC001501367006 893786137 /nfs/dbraw/zinc/78/61/37/893786137.db2.gz WGBZQJAMALHXLT-WPRPVWTQSA-N 1 2 293.327 -1.161 20 0 CAADLO CNC(=O)C[N@@H+]1CCC[C@@](CO)(NC(=O)[C@@H]2CCOC2)C1 ZINC001501307519 893786177 /nfs/dbraw/zinc/78/61/77/893786177.db2.gz JRBQAGNJZXDBGX-BXUZGUMPSA-N 1 2 299.371 -1.288 20 0 CAADLO CNC(=O)C[N@H+]1CCC[C@@](CO)(NC(=O)[C@@H]2CCOC2)C1 ZINC001501307519 893786189 /nfs/dbraw/zinc/78/61/89/893786189.db2.gz JRBQAGNJZXDBGX-BXUZGUMPSA-N 1 2 299.371 -1.288 20 0 CAADLO COC[C@H](C)C(=O)NC[C@@H](O)CNC(=O)Cn1cc[nH+]c1 ZINC001501456320 893799218 /nfs/dbraw/zinc/79/92/18/893799218.db2.gz LHSSIFNRVSYJDH-QWRGUYRKSA-N 1 2 298.343 -1.241 20 0 CAADLO COC[C@@H](C)C(=O)NC[C@@H](O)CNC(=O)Cn1cc[nH+]c1 ZINC001501456319 893800876 /nfs/dbraw/zinc/80/08/76/893800876.db2.gz LHSSIFNRVSYJDH-MNOVXSKESA-N 1 2 298.343 -1.241 20 0 CAADLO CO[C@H](C)CC(=O)NC[C@@H](O)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001501453155 893800937 /nfs/dbraw/zinc/80/09/37/893800937.db2.gz SXPAPZYTVNPBKU-NXEZZACHSA-N 1 2 298.343 -1.030 20 0 CAADLO Cn1ncc(C(=O)N(CCO)CC[NH2+]Cc2cnon2)n1 ZINC001501499373 893810287 /nfs/dbraw/zinc/81/02/87/893810287.db2.gz FXZGDWIXWTXYJE-UHFFFAOYSA-N 1 2 295.303 -1.578 20 0 CAADLO O=C(c1cnon1)N(CCO)CC[NH2+]Cc1cnon1 ZINC001501501071 893815710 /nfs/dbraw/zinc/81/57/10/893815710.db2.gz NULKXRDCZGHOMB-UHFFFAOYSA-N 1 2 282.260 -1.323 20 0 CAADLO CNC(=O)NCC(=O)NC[C@H]1COCC[N@@H+]1C[C@H](C)O ZINC001501784132 893826328 /nfs/dbraw/zinc/82/63/28/893826328.db2.gz QKNTWGJXVMLLMY-UWVGGRQHSA-N 1 2 288.348 -1.887 20 0 CAADLO CNC(=O)NCC(=O)NC[C@H]1COCC[N@H+]1C[C@H](C)O ZINC001501784132 893826338 /nfs/dbraw/zinc/82/63/38/893826338.db2.gz QKNTWGJXVMLLMY-UWVGGRQHSA-N 1 2 288.348 -1.887 20 0 CAADLO CC[N@H+]1CCOC[C@H]1CNC(=O)CNS(=O)(=O)CC ZINC001501782944 893827105 /nfs/dbraw/zinc/82/71/05/893827105.db2.gz BIQBDLPCJUDHQM-SNVBAGLBSA-N 1 2 293.389 -1.237 20 0 CAADLO NC(=O)CC(=O)NC/C=C\CNC(=O)CCn1cc[nH+]c1 ZINC001501749802 893826771 /nfs/dbraw/zinc/82/67/71/893826771.db2.gz ATMQLOUDGASLKK-UPHRSURJSA-N 1 2 293.327 -1.063 20 0 CAADLO CC[N@@H+]1CCOC[C@H]1CNC(=O)CNS(=O)(=O)CC ZINC001501782944 893827093 /nfs/dbraw/zinc/82/70/93/893827093.db2.gz BIQBDLPCJUDHQM-SNVBAGLBSA-N 1 2 293.389 -1.237 20 0 CAADLO Cn1c[nH+]cc1CC(=O)NC/C=C\CNC(=O)CC(N)=O ZINC001501749777 893827678 /nfs/dbraw/zinc/82/76/78/893827678.db2.gz AHGJANLWKJBEPY-IHWYPQMZSA-N 1 2 293.327 -1.373 20 0 CAADLO NC(=O)C(=O)NCC1([NH2+]Cc2ncnn2CCF)CCC1 ZINC001501995921 893830558 /nfs/dbraw/zinc/83/05/58/893830558.db2.gz NTXULWHCFDBROM-UHFFFAOYSA-N 1 2 298.322 -1.139 20 0 CAADLO O=C(NCC1([NH2+]Cc2cnon2)CCC1)[C@@H]1CNC(=O)N1 ZINC001501994572 893831213 /nfs/dbraw/zinc/83/12/13/893831213.db2.gz HDAMRTLQVUOAGE-VIFPVBQESA-N 1 2 294.315 -1.121 20 0 CAADLO CCC(=O)NCC(=O)N[C@@H]1COC2(C[NH+](CCCO)C2)C1 ZINC001502449868 893849078 /nfs/dbraw/zinc/84/90/78/893849078.db2.gz CDHPMNFVRRKRTE-NSHDSACASA-N 1 2 299.371 -1.146 20 0 CAADLO CC(=O)N[C@H](C)C(=O)N[C@H]1COC2(C[NH+](CCCO)C2)C1 ZINC001502445711 893849255 /nfs/dbraw/zinc/84/92/55/893849255.db2.gz SBQGCAGUWADEAJ-ZYHUDNBSSA-N 1 2 299.371 -1.147 20 0 CAADLO CC(=O)N[C@H](C)C(=O)N[C@@H]1COC2(C[NH+](CCCO)C2)C1 ZINC001502445709 893849566 /nfs/dbraw/zinc/84/95/66/893849566.db2.gz SBQGCAGUWADEAJ-PWSUYJOCSA-N 1 2 299.371 -1.147 20 0 CAADLO CO[C@H](C)C[NH+]1CC2(C1)C[C@@H](NC(=O)CC(N)=O)CO2 ZINC001502452568 893851972 /nfs/dbraw/zinc/85/19/72/893851972.db2.gz AQAQIIMCARIRQA-NXEZZACHSA-N 1 2 285.344 -1.144 20 0 CAADLO CCOCC[NH+]1CC2(C1)C[C@@H](NC(=O)C(N)=O)CO2 ZINC001502465137 893852326 /nfs/dbraw/zinc/85/23/26/893852326.db2.gz TVNKDMDYMPVONU-SECBINFHSA-N 1 2 271.317 -1.532 20 0 CAADLO C[C@H](CNC(=O)[C@@H]1COCCO1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001502683923 893861115 /nfs/dbraw/zinc/86/11/15/893861115.db2.gz BULVPCXBENDENI-KOLCDFICSA-N 1 2 296.327 -1.012 20 0 CAADLO CNC(=O)CC(=O)NC[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001503312026 893866718 /nfs/dbraw/zinc/86/67/18/893866718.db2.gz OQJWDNCFLLUDLK-VIFPVBQESA-N 1 2 281.316 -1.360 20 0 CAADLO NC(=O)C[NH+]1CCC(CO)(NC(=O)[C@@H]2CCOC2)CC1 ZINC001503866540 893866859 /nfs/dbraw/zinc/86/68/59/893866859.db2.gz YDDYFBZGRJSDFH-SNVBAGLBSA-N 1 2 285.344 -1.549 20 0 CAADLO NC(=O)C[NH+]1CCC(CO)(NC(=O)C[C@@H]2CCOC2)CC1 ZINC001503899742 893868509 /nfs/dbraw/zinc/86/85/09/893868509.db2.gz WGKBIEADYHRFHE-NSHDSACASA-N 1 2 299.371 -1.159 20 0 CAADLO NC(=O)C[NH+]1CCC(CO)(NC(=O)[C@H]2CCOC2)CC1 ZINC001503866538 893868591 /nfs/dbraw/zinc/86/85/91/893868591.db2.gz YDDYFBZGRJSDFH-JTQLQIEISA-N 1 2 285.344 -1.549 20 0 CAADLO NC(=O)C[NH+]1CCC(CO)(NC(=O)Cn2cncn2)CC1 ZINC001505392176 893871016 /nfs/dbraw/zinc/87/10/16/893871016.db2.gz WNORNOLQGMBONS-UHFFFAOYSA-N 1 2 296.331 -2.294 20 0 CAADLO C[C@H](C(N)=O)[NH+]1CCC(CO)(NC(=O)c2cn[nH]n2)CC1 ZINC001505383766 893874209 /nfs/dbraw/zinc/87/42/09/893874209.db2.gz VNJWLDXYLDNUFC-MRVPVSSYSA-N 1 2 296.331 -1.765 20 0 CAADLO C[C@@H](CNC(=O)[C@@H]1CCNC1=O)NC(=O)Cc1c[nH]c[nH+]1 ZINC001505449000 893878227 /nfs/dbraw/zinc/87/82/27/893878227.db2.gz ORJRSEBOOUILBS-WCBMZHEXSA-N 1 2 293.327 -1.291 20 0 CAADLO CCCCn1nnnc1C[NH2+][C@@H](C)[C@@H](C)NC(=O)C(N)=O ZINC001505682403 893892172 /nfs/dbraw/zinc/89/21/72/893892172.db2.gz SFBIBVLEDDCECD-DTWKUNHWSA-N 1 2 297.363 -1.059 20 0 CAADLO CCCCn1nnnc1C[NH2+][C@@H](C)[C@H](C)NC(=O)C(N)=O ZINC001505682405 893892317 /nfs/dbraw/zinc/89/23/17/893892317.db2.gz SFBIBVLEDDCECD-IUCAKERBSA-N 1 2 297.363 -1.059 20 0 CAADLO C[C@H](NC(=O)CCCC(N)=O)[C@H](C)[NH2+]Cc1nnn(C)n1 ZINC001505765440 893893076 /nfs/dbraw/zinc/89/30/76/893893076.db2.gz SKPVLQADTGKAAQ-IUCAKERBSA-N 1 2 297.363 -1.152 20 0 CAADLO C[C@@H](NC(=O)CCCC(N)=O)[C@H](C)[NH2+]Cc1nnn(C)n1 ZINC001505765439 893897066 /nfs/dbraw/zinc/89/70/66/893897066.db2.gz SKPVLQADTGKAAQ-DTWKUNHWSA-N 1 2 297.363 -1.152 20 0 CAADLO C[C@@H](CNC(=O)C(N)=O)[N@H+](C)CC(=O)N(C)C1CC1 ZINC001505992978 893910460 /nfs/dbraw/zinc/91/04/60/893910460.db2.gz LVZDNKRWWXUEGR-QMMMGPOBSA-N 1 2 270.333 -1.471 20 0 CAADLO C[C@@H](CNC(=O)C(N)=O)[N@@H+](C)CC(=O)N(C)C1CC1 ZINC001505992978 893910470 /nfs/dbraw/zinc/91/04/70/893910470.db2.gz LVZDNKRWWXUEGR-QMMMGPOBSA-N 1 2 270.333 -1.471 20 0 CAADLO C[C@H](CNC(=O)C(N)=O)[N@H+](C)CC(=O)N(C)C1CC1 ZINC001505992977 893911008 /nfs/dbraw/zinc/91/10/08/893911008.db2.gz LVZDNKRWWXUEGR-MRVPVSSYSA-N 1 2 270.333 -1.471 20 0 CAADLO C[C@H](CNC(=O)C(N)=O)[N@@H+](C)CC(=O)N(C)C1CC1 ZINC001505992977 893911021 /nfs/dbraw/zinc/91/10/21/893911021.db2.gz LVZDNKRWWXUEGR-MRVPVSSYSA-N 1 2 270.333 -1.471 20 0 CAADLO C[C@H](CNC(=O)C(N)=O)[N@H+](C)CC(=O)NCC(F)(F)F ZINC001505993486 893911979 /nfs/dbraw/zinc/91/19/79/893911979.db2.gz XJRJEROADIIKCX-ZCFIWIBFSA-N 1 2 298.265 -1.413 20 0 CAADLO C[C@H](CNC(=O)C(N)=O)[N@@H+](C)CC(=O)NCC(F)(F)F ZINC001505993486 893911988 /nfs/dbraw/zinc/91/19/88/893911988.db2.gz XJRJEROADIIKCX-ZCFIWIBFSA-N 1 2 298.265 -1.413 20 0 CAADLO CCOCCC(=O)NC1(CCO)C[NH+](CCO)C1 ZINC001506083620 893915251 /nfs/dbraw/zinc/91/52/51/893915251.db2.gz BPOWQIVRYVCDPF-UHFFFAOYSA-N 1 2 260.334 -1.042 20 0 CAADLO C[C@H](O)C[NH+]1CC(CCO)(NC(=O)c2cnn(C)c2)C1 ZINC001506077831 893916020 /nfs/dbraw/zinc/91/60/20/893916020.db2.gz ANQOXBMHMKTBHF-JTQLQIEISA-N 1 2 282.344 -1.033 20 0 CAADLO O=C(Cn1cnnn1)NC1(CCO)C[NH+](CCCF)C1 ZINC001506078377 893917586 /nfs/dbraw/zinc/91/75/86/893917586.db2.gz UFFBMTCEYHUUEZ-UHFFFAOYSA-N 1 2 286.311 -1.414 20 0 CAADLO Cc1nn[nH]c1C(=O)NC1(CCO)C[NH+](CCCO)C1 ZINC001506110437 893920008 /nfs/dbraw/zinc/92/00/08/893920008.db2.gz QEMIUNJKKGCMSD-UHFFFAOYSA-N 1 2 283.332 -1.338 20 0 CAADLO C[C@H](O)C[NH+]1CC(CCO)(NC(=O)[C@@H]2CCC(=O)N2C)C1 ZINC001506111693 893920298 /nfs/dbraw/zinc/92/02/98/893920298.db2.gz LBRQIZUWSIYHRT-QWRGUYRKSA-N 1 2 299.371 -1.459 20 0 CAADLO CCOCC[NH+]1CC(CCO)(NC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001506119080 893920522 /nfs/dbraw/zinc/92/05/22/893920522.db2.gz IQSPOZYLYMGYCU-MNOVXSKESA-N 1 2 299.371 -1.303 20 0 CAADLO CC[NH+]1CC(CCO)(NC(=O)CN(C)C(=O)COC)C1 ZINC001506099153 893920730 /nfs/dbraw/zinc/92/07/30/893920730.db2.gz FJNDIJFYRZBRJF-UHFFFAOYSA-N 1 2 287.360 -1.336 20 0 CAADLO O=C(C[C@@H]1CCNC1=O)NC1(CCO)C[NH+](CCCO)C1 ZINC001506101186 893920852 /nfs/dbraw/zinc/92/08/52/893920852.db2.gz RFMYSFJUNZQMQL-NSHDSACASA-N 1 2 299.371 -1.552 20 0 CAADLO CN1C[C@@H](C(=O)NC2(CCO)C[NH+](CCO)C2)CC1=O ZINC001506099859 893921156 /nfs/dbraw/zinc/92/11/56/893921156.db2.gz XCTNQKOYSWEZJE-JTQLQIEISA-N 1 2 285.344 -1.990 20 0 CAADLO CN1C(=O)CC[C@@H]1C(=O)NC1(CCO)C[NH+](CCO)C1 ZINC001506115119 893921413 /nfs/dbraw/zinc/92/14/13/893921413.db2.gz MXHRKACDPMFXBA-SNVBAGLBSA-N 1 2 285.344 -1.848 20 0 CAADLO C[C@@H](O)C[NH+]1CC(CCO)(NC(=O)[C@]2(C)CCC(=O)N2)C1 ZINC001506118577 893921937 /nfs/dbraw/zinc/92/19/37/893921937.db2.gz QSSQZMWOIKGZKT-MFKMUULPSA-N 1 2 299.371 -1.411 20 0 CAADLO CCn1ncc(C(=O)NC2(CCO)C[NH+](CCCO)C2)n1 ZINC001506094833 893922060 /nfs/dbraw/zinc/92/20/60/893922060.db2.gz HINSERJPZOJWEZ-UHFFFAOYSA-N 1 2 297.359 -1.153 20 0 CAADLO C[C@H](O)C[NH+]1CC(CCO)(NC(=O)Cc2ccn(C)n2)C1 ZINC001506096605 893922217 /nfs/dbraw/zinc/92/22/17/893922217.db2.gz SJIXELZCHBGZBM-NSHDSACASA-N 1 2 296.371 -1.104 20 0 CAADLO C[C@@H](O)C[NH+]1CC(CCO)(NC(=O)CCn2cnnn2)C1 ZINC001506122788 893923589 /nfs/dbraw/zinc/92/35/89/893923589.db2.gz HBWBPMWGJNNNMN-SNVBAGLBSA-N 1 2 298.347 -2.003 20 0 CAADLO CN(C(=O)CCCn1cc[nH+]c1)C1CN(C(=O)C(N)=O)C1 ZINC001506302863 893927971 /nfs/dbraw/zinc/92/79/71/893927971.db2.gz XRYHSVPRJVELBB-UHFFFAOYSA-N 1 2 293.327 -1.182 20 0 CAADLO C[C@H](NC(=O)C(F)F)C1C[NH+](CC(=O)NC(N)=O)C1 ZINC001506581542 893930580 /nfs/dbraw/zinc/93/05/80/893930580.db2.gz DRODGZBFMXIJSL-YFKPBYRVSA-N 1 2 278.259 -1.117 20 0 CAADLO COCCC(=O)N[C@@H](C)C1C[NH+](CC(=O)NC(N)=O)C1 ZINC001506581561 893931144 /nfs/dbraw/zinc/93/11/44/893931144.db2.gz DVRQLIZAEZYUFW-QMMMGPOBSA-N 1 2 286.332 -1.346 20 0 CAADLO CCCC[C@@H](C[NH2+]Cc1nc(=O)n(C)[nH]1)NC(=O)C(N)=O ZINC001506544736 893932077 /nfs/dbraw/zinc/93/20/77/893932077.db2.gz JYJNLBFDSLPPFC-QMMMGPOBSA-N 1 2 298.347 -1.642 20 0 CAADLO CCCC[C@@H](C[NH2+]Cc1nnnn1C)NC(=O)C(N)=O ZINC001506548493 893932624 /nfs/dbraw/zinc/93/26/24/893932624.db2.gz WYRKGAJNSAXFDT-QMMMGPOBSA-N 1 2 283.336 -1.540 20 0 CAADLO C[C@@H](NC(=O)[C@@H](C)n1cncn1)C1C[NH+](CC(N)=O)C1 ZINC001506606767 893934192 /nfs/dbraw/zinc/93/41/92/893934192.db2.gz BLMOBJGTOGZZSB-RKDXNWHRSA-N 1 2 280.332 -1.239 20 0 CAADLO C[C@@H](NC(=O)C[C@@H]1CCNC1=O)C1C[NH+](CC(N)=O)C1 ZINC001506628136 893934953 /nfs/dbraw/zinc/93/49/53/893934953.db2.gz UKMGXRWXMCTWRX-BDAKNGLRSA-N 1 2 282.344 -1.566 20 0 CAADLO CNC(=O)C[NH+]1CC([C@H](C)NC(=O)C2(C(N)=O)CC2)C1 ZINC001506651475 893935847 /nfs/dbraw/zinc/93/58/47/893935847.db2.gz UJLJXZLTSIHEEG-QMMMGPOBSA-N 1 2 282.344 -1.566 20 0 CAADLO CCNC(=O)C[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCC(=O)N2)C1 ZINC001506602353 893936025 /nfs/dbraw/zinc/93/60/25/893936025.db2.gz WKBLJSGHHMIWRO-MWLCHTKSSA-N 1 2 296.371 -1.162 20 0 CAADLO C[C@@H](NC(=O)[C@H](C)n1cncn1)C1C[NH+](CC(N)=O)C1 ZINC001506606737 893936148 /nfs/dbraw/zinc/93/61/48/893936148.db2.gz BLMOBJGTOGZZSB-BDAKNGLRSA-N 1 2 280.332 -1.239 20 0 CAADLO Cc1nnc(CC(=O)N[C@@H](C)C2C[NH+](CC(N)=O)C2)[nH]1 ZINC001506624609 893936697 /nfs/dbraw/zinc/93/66/97/893936697.db2.gz VGXZPJYMPHDSSN-ZETCQYMHSA-N 1 2 280.332 -1.423 20 0 CAADLO C[C@H](NC(=O)Cc1cc[nH]n1)C1C[NH+](CC(N)=O)C1 ZINC001506604672 893936727 /nfs/dbraw/zinc/93/67/27/893936727.db2.gz ODLCEHRZJNYLOF-QMMMGPOBSA-N 1 2 265.317 -1.126 20 0 CAADLO C[C@@H](NC(=O)Cn1cc[nH+]c1)C1CN(CC(N)=O)C1 ZINC001506683768 893936750 /nfs/dbraw/zinc/93/67/50/893936750.db2.gz UVRBCWGZGPVQMA-SECBINFHSA-N 1 2 265.317 -1.195 20 0 CAADLO C[C@@H](NC(=O)C[C@@H]1CC(=O)NC1=O)C1C[NH+](CC(N)=O)C1 ZINC001506682407 893936795 /nfs/dbraw/zinc/93/67/95/893936795.db2.gz UIAVLESSHYGRLF-HTQZYQBOSA-N 1 2 296.327 -2.039 20 0 CAADLO C[C@@H](NC(=O)CCn1cncn1)C1C[NH+](CC(N)=O)C1 ZINC001506598188 893936856 /nfs/dbraw/zinc/93/68/56/893936856.db2.gz LMIDNYMMFJIXTE-SECBINFHSA-N 1 2 280.332 -1.410 20 0 CAADLO C[C@@H](NC(=O)C[C@H]1CCNC1=O)C1C[NH+](CC(N)=O)C1 ZINC001506628139 893936868 /nfs/dbraw/zinc/93/68/68/893936868.db2.gz UKMGXRWXMCTWRX-RKDXNWHRSA-N 1 2 282.344 -1.566 20 0 CAADLO Cn1cnnc1C[NH2+][C@H](CO)CNC(=O)C(F)F ZINC001507165705 893959684 /nfs/dbraw/zinc/95/96/84/893959684.db2.gz FABKQTGHGAKBKH-LURJTMIESA-N 1 2 263.248 -1.353 20 0 CAADLO CCn1ncnc1C[NH2+][C@H](C)CN(C)C(=O)C(N)=O ZINC001507116140 893959558 /nfs/dbraw/zinc/95/95/58/893959558.db2.gz FHTSGUGFVZWFKV-MRVPVSSYSA-N 1 2 268.321 -1.280 20 0 CAADLO CCC(=O)NC[C@@H](CO)[NH2+]Cc1nnnn1C1CC1 ZINC001507164112 893962259 /nfs/dbraw/zinc/96/22/59/893962259.db2.gz AGWZPSBJGMZMFA-QMMMGPOBSA-N 1 2 268.321 -1.015 20 0 CAADLO C[C@H](CN(C)C(=O)C(N)=O)[NH2+]Cc1nnnn1C(C)(C)C ZINC001507116866 893962275 /nfs/dbraw/zinc/96/22/75/893962275.db2.gz IGXYMXYAWQJOKM-MRVPVSSYSA-N 1 2 297.363 -1.150 20 0 CAADLO C[C@H](CN(C)C(=O)c1cnon1)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001507138017 893962467 /nfs/dbraw/zinc/96/24/67/893962467.db2.gz FTAGJAFWVYGXQP-SSDOTTSWSA-N 1 2 295.303 -1.258 20 0 CAADLO CCC(=O)NC[C@H](CO)[NH2+]Cc1nnnn1C1CC1 ZINC001507164109 893962924 /nfs/dbraw/zinc/96/29/24/893962924.db2.gz AGWZPSBJGMZMFA-MRVPVSSYSA-N 1 2 268.321 -1.015 20 0 CAADLO COCC(=O)NC[C@@H](CO)[NH2+]Cc1ncnn1C ZINC001507168760 893964742 /nfs/dbraw/zinc/96/47/42/893964742.db2.gz RAXZOARVQJBGRB-QMMMGPOBSA-N 1 2 257.294 -1.972 20 0 CAADLO Cn1cc(C[NH2+][C@H](CO)CNC(=O)c2cnccn2)nn1 ZINC001507171492 893965124 /nfs/dbraw/zinc/96/51/24/893965124.db2.gz WNQZCNBXSYLMNS-JTQLQIEISA-N 1 2 291.315 -1.514 20 0 CAADLO CCn1ncc(C[NH2+][C@@H](CO)CNC(=O)CNC(C)=O)n1 ZINC001507167739 893965940 /nfs/dbraw/zinc/96/59/40/893965940.db2.gz NNGSGZTVQANKGD-LLVKDONJSA-N 1 2 298.347 -1.999 20 0 CAADLO CC(=O)NCC(=O)NC[C@H](CO)[NH2+]Cc1cnn(C)n1 ZINC001507169226 893967090 /nfs/dbraw/zinc/96/70/90/893967090.db2.gz ZLHSXXJKFYRXIR-SNVBAGLBSA-N 1 2 284.320 -2.482 20 0 CAADLO C[C@H]([NH2+][C@@H](CO)CNC(=O)c1ccc[nH]1)c1nnnn1C ZINC001507173283 893970826 /nfs/dbraw/zinc/97/08/26/893970826.db2.gz RYZVUNYMFKERSD-DTWKUNHWSA-N 1 2 293.331 -1.020 20 0 CAADLO Cc1nonc1C[NH2+][C@@H](CO)CNC(=O)c1cnn(C)c1 ZINC001507176257 893970850 /nfs/dbraw/zinc/97/08/50/893970850.db2.gz WYAHPRXPMITVDZ-SNVBAGLBSA-N 1 2 294.315 -1.008 20 0 CAADLO Cc1cc(C(=O)NC[C@H](CO)[NH2+]Cc2cn(C)nn2)no1 ZINC001507174622 893970876 /nfs/dbraw/zinc/97/08/76/893970876.db2.gz JKJABSVVBZOGRE-SNVBAGLBSA-N 1 2 294.315 -1.008 20 0 CAADLO Cn1ncnc1C[NH2+][C@H](CO)CNC(=O)[C@H]1CCCO1 ZINC001507174179 893971355 /nfs/dbraw/zinc/97/13/55/893971355.db2.gz HVTHOTRSAJPJCI-VHSXEESVSA-N 1 2 283.332 -1.439 20 0 CAADLO Cn1ncnc1C[NH2+][C@@H](CO)CNC(=O)[C@H]1CCCOC1 ZINC001507177618 893973612 /nfs/dbraw/zinc/97/36/12/893973612.db2.gz HSAMFVKGWHHVCY-WDEREUQCSA-N 1 2 297.359 -1.192 20 0 CAADLO CCn1cc(C[NH2+][C@H](CO)CNC(=O)[C@@H](C)OC)nn1 ZINC001507178068 893973792 /nfs/dbraw/zinc/97/37/92/893973792.db2.gz FIUSCTIVNDSBEQ-KOLCDFICSA-N 1 2 285.348 -1.100 20 0 CAADLO C[C@H]([NH2+][C@@H](CO)CNC(=O)c1ccn[nH]1)c1nncn1C ZINC001507177221 893973868 /nfs/dbraw/zinc/97/38/68/893973868.db2.gz MZIUJBJGYSIHKA-DTWKUNHWSA-N 1 2 293.331 -1.020 20 0 CAADLO C[C@@H]([NH2+][C@@H](CO)CNC(=O)c1ccon1)c1nnnn1C ZINC001507178525 893974248 /nfs/dbraw/zinc/97/42/48/893974248.db2.gz IJTFXHGZDHJHSV-HTQZYQBOSA-N 1 2 295.303 -1.360 20 0 CAADLO Cc1nonc1C[NH2+][C@@H](CO)CNC(=O)c1cn[nH]c1 ZINC001507178909 893974275 /nfs/dbraw/zinc/97/42/75/893974275.db2.gz UXLWGVPYAUQRTH-SECBINFHSA-N 1 2 280.288 -1.018 20 0 CAADLO Cn1ncnc1C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCCOC1 ZINC001507177615 893974316 /nfs/dbraw/zinc/97/43/16/893974316.db2.gz HSAMFVKGWHHVCY-GHMZBOCLSA-N 1 2 297.359 -1.192 20 0 CAADLO C[C@H]([NH2+][C@@H](CO)CNC(=O)c1ccon1)c1nnnn1C ZINC001507178537 893974837 /nfs/dbraw/zinc/97/48/37/893974837.db2.gz IJTFXHGZDHJHSV-JGVFFNPUSA-N 1 2 295.303 -1.360 20 0 CAADLO Cn1cnnc1C[NH2+][C@@H](CO)CNC(=O)c1ccon1 ZINC001507179139 893975420 /nfs/dbraw/zinc/97/54/20/893975420.db2.gz KBWTWNXMXXSGAW-MRVPVSSYSA-N 1 2 280.288 -1.316 20 0 CAADLO C[C@@H]([NH2+][C@@H](CO)CNC(=O)c1ccn[nH]1)c1nncn1C ZINC001507177223 893975638 /nfs/dbraw/zinc/97/56/38/893975638.db2.gz MZIUJBJGYSIHKA-RKDXNWHRSA-N 1 2 293.331 -1.020 20 0 CAADLO CCC(=O)NCC(=O)NC[C@@H](CO)[NH2+]Cc1nncn1C ZINC001507179151 893975763 /nfs/dbraw/zinc/97/57/63/893975763.db2.gz PBEXIOIUHTUBGD-VIFPVBQESA-N 1 2 298.347 -2.092 20 0 CAADLO O=C(NC[C@H](CO)[NH2+]Cc1ccon1)[C@H]1CCNC(=O)C1 ZINC001507190497 893981656 /nfs/dbraw/zinc/98/16/56/893981656.db2.gz URDJDLNQLLIGEA-GXSJLCMTSA-N 1 2 296.327 -1.233 20 0 CAADLO CC(C)[C@@H](O)C(=O)NC[C@H](CO)[NH2+]Cc1cn(C)nn1 ZINC001507189812 893983685 /nfs/dbraw/zinc/98/36/85/893983685.db2.gz TTZQNNNIXAGATM-GHMZBOCLSA-N 1 2 285.348 -1.601 20 0 CAADLO Cn1cc(C[NH2+][C@@H](CO)CNC(=O)[C@@H]2CCCCO2)nn1 ZINC001507187931 893983827 /nfs/dbraw/zinc/98/38/27/893983827.db2.gz IFMZJBUUYWNXMO-NEPJUHHUSA-N 1 2 297.359 -1.049 20 0 CAADLO CCn1cc(C[NH2+][C@H](CO)CNC(=O)CC(N)=O)nn1 ZINC001507184114 893984600 /nfs/dbraw/zinc/98/46/00/893984600.db2.gz XETWGVQVSVFVCM-VIFPVBQESA-N 1 2 284.320 -2.260 20 0 CAADLO CO[C@H](C(=O)NC[C@H](CO)[NH2+]Cc1nnnn1C)C1CC1 ZINC001507196763 893986906 /nfs/dbraw/zinc/98/69/06/893986906.db2.gz UHLJOBPZIHNXBP-KOLCDFICSA-N 1 2 298.347 -1.798 20 0 CAADLO O=C(CCn1ccnn1)NC[C@@H](CO)[NH2+]Cc1ccon1 ZINC001507194079 893987385 /nfs/dbraw/zinc/98/73/85/893987385.db2.gz KJBFFMGAHSFQJE-NSHDSACASA-N 1 2 294.315 -1.077 20 0 CAADLO Cc1conc1C[NH2+][C@@H](CO)CNC(=O)c1ncn(C)n1 ZINC001507191573 893987585 /nfs/dbraw/zinc/98/75/85/893987585.db2.gz ZGHMDKSTUQHSGQ-SECBINFHSA-N 1 2 294.315 -1.008 20 0 CAADLO O=C(CCn1ccnn1)NC[C@H](CO)[NH2+]Cc1ccon1 ZINC001507194078 893987945 /nfs/dbraw/zinc/98/79/45/893987945.db2.gz KJBFFMGAHSFQJE-LLVKDONJSA-N 1 2 294.315 -1.077 20 0 CAADLO CO[C@@H](C(=O)NC[C@H](CO)[NH2+]Cc1nnnn1C)C1CC1 ZINC001507196766 893988260 /nfs/dbraw/zinc/98/82/60/893988260.db2.gz UHLJOBPZIHNXBP-MWLCHTKSSA-N 1 2 298.347 -1.798 20 0 CAADLO CO[C@@H](C(=O)NC[C@@H](CO)[NH2+]Cc1nnnn1C)C1CC1 ZINC001507196760 893988347 /nfs/dbraw/zinc/98/83/47/893988347.db2.gz UHLJOBPZIHNXBP-GXSJLCMTSA-N 1 2 298.347 -1.798 20 0 CAADLO Cn1nncc1C(=O)NC[C@@H](CO)[NH2+]Cc1ccon1 ZINC001507195135 893988635 /nfs/dbraw/zinc/98/86/35/893988635.db2.gz MUQMAOXAXICASV-VIFPVBQESA-N 1 2 280.288 -1.316 20 0 CAADLO CCNC(=O)CC(=O)NC[C@H](CO)[NH2+]Cc1nnc(C)[nH]1 ZINC001507192898 893989099 /nfs/dbraw/zinc/98/90/99/893989099.db2.gz KRSMQBQGXKHIKQ-SECBINFHSA-N 1 2 298.347 -1.794 20 0 CAADLO CCNC(=O)CC(=O)NC[C@@H](CO)[NH2+]Cc1nnc(C)[nH]1 ZINC001507192905 893989870 /nfs/dbraw/zinc/98/98/70/893989870.db2.gz KRSMQBQGXKHIKQ-VIFPVBQESA-N 1 2 298.347 -1.794 20 0 CAADLO CNC(=O)NCC(=O)NC[C@H](CO)[NH2+]Cc1nocc1C ZINC001507200119 893990874 /nfs/dbraw/zinc/99/08/74/893990874.db2.gz BLWVPPLIZNLDRQ-SECBINFHSA-N 1 2 299.331 -1.521 20 0 CAADLO CNC(=O)NCC(=O)NC[C@@H](CO)[NH2+]Cc1nocc1C ZINC001507200121 893993029 /nfs/dbraw/zinc/99/30/29/893993029.db2.gz BLWVPPLIZNLDRQ-VIFPVBQESA-N 1 2 299.331 -1.521 20 0 CAADLO CNC(=O)NCC(=O)NC[C@@H](CO)[NH2+]Cc1coc(C)n1 ZINC001507202905 893993090 /nfs/dbraw/zinc/99/30/90/893993090.db2.gz LYUPNJAGVSXGTE-VIFPVBQESA-N 1 2 299.331 -1.521 20 0 CAADLO CNC(=O)C[NH2+][C@H](CO)CNC(=O)C(F)C(F)(F)F ZINC001507197768 893993427 /nfs/dbraw/zinc/99/34/27/893993427.db2.gz GLYUZWUOEAPVDF-FSPLSTOPSA-N 1 2 289.229 -1.301 20 0 CAADLO CNC(=O)C[NH2+][C@H](CO)CNC(=O)[C@H](F)C(F)(F)F ZINC001507197768 893993436 /nfs/dbraw/zinc/99/34/36/893993436.db2.gz GLYUZWUOEAPVDF-FSPLSTOPSA-N 1 2 289.229 -1.301 20 0 CAADLO Cc1conc1C[NH2+][C@@H](CO)CNC(=O)c1nnn(C)n1 ZINC001507223999 893998769 /nfs/dbraw/zinc/99/87/69/893998769.db2.gz BFDBWMWEONVPSI-MRVPVSSYSA-N 1 2 295.303 -1.613 20 0 CAADLO Cn1ncnc1C[NH2+][C@@H](CO)CNC(=O)c1csnn1 ZINC001507222120 894002906 /nfs/dbraw/zinc/00/29/06/894002906.db2.gz KLILVKMMCQVIGS-SSDOTTSWSA-N 1 2 297.344 -1.453 20 0 CAADLO Cc1nonc1C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCNC1=O ZINC001507225896 894003731 /nfs/dbraw/zinc/00/37/31/894003731.db2.gz OUQHOXTVNGFMIM-RKDXNWHRSA-N 1 2 297.315 -1.919 20 0 CAADLO Cc1nonc1C[NH2+][C@H](CO)CNC(=O)[C@H]1CCNC1=O ZINC001507225895 894006247 /nfs/dbraw/zinc/00/62/47/894006247.db2.gz OUQHOXTVNGFMIM-IUCAKERBSA-N 1 2 297.315 -1.919 20 0 CAADLO NC(=O)C(=O)NC[C@H](CO)[NH2+]Cc1cn(CC2CC2)nn1 ZINC001507233360 894009513 /nfs/dbraw/zinc/00/95/13/894009513.db2.gz TWUDNGGQDRHUEK-SNVBAGLBSA-N 1 2 296.331 -2.260 20 0 CAADLO CC(C)n1ccc(C[NH2+][C@H](CO)CNC(=O)C(N)=O)n1 ZINC001507230721 894011829 /nfs/dbraw/zinc/01/18/29/894011829.db2.gz CSJMVPARTFUOHO-JTQLQIEISA-N 1 2 283.332 -1.484 20 0 CAADLO CCC1(C(=O)NC[C@H](CO)[NH2+]Cc2nnnn2C)CC1 ZINC001507235153 894011958 /nfs/dbraw/zinc/01/19/58/894011958.db2.gz LUPCAGAVXYHNTO-SECBINFHSA-N 1 2 282.348 -1.033 20 0 CAADLO CCC1(C(=O)NC[C@H](CO)[NH2+]Cc2nc(=O)n(C)[nH]2)CC1 ZINC001507235369 894012411 /nfs/dbraw/zinc/01/24/11/894012411.db2.gz QNZFMBRUILXYLK-SECBINFHSA-N 1 2 297.359 -1.135 20 0 CAADLO Cn1ncc(C[NH2+][C@H](CO)CNC(=O)c2cccnn2)n1 ZINC001507241664 894014334 /nfs/dbraw/zinc/01/43/34/894014334.db2.gz CUWMHCPWXLVOAW-JTQLQIEISA-N 1 2 291.315 -1.514 20 0 CAADLO Cn1ncc(C[NH2+][C@@H](CO)CNC(=O)c2cccnn2)n1 ZINC001507241667 894014588 /nfs/dbraw/zinc/01/45/88/894014588.db2.gz CUWMHCPWXLVOAW-SNVBAGLBSA-N 1 2 291.315 -1.514 20 0 CAADLO CCC1(C(=O)NC[C@@H](CO)[NH2+]Cc2nc(=O)n(C)[nH]2)CC1 ZINC001507235370 894014953 /nfs/dbraw/zinc/01/49/53/894014953.db2.gz QNZFMBRUILXYLK-VIFPVBQESA-N 1 2 297.359 -1.135 20 0 CAADLO Cn1cc(C(=O)NC[C@H](CO)[NH2+]Cc2ccon2)[nH]c1=O ZINC001507235791 894015035 /nfs/dbraw/zinc/01/50/35/894015035.db2.gz ZXVRBLYWVKXBCL-SECBINFHSA-N 1 2 295.299 -1.006 20 0 CAADLO CN(C)C(=O)C[NH2+][C@H](CO)CNC(=O)CCc1cnn[nH]1 ZINC001507239935 894015581 /nfs/dbraw/zinc/01/55/81/894015581.db2.gz OXBRDYNZYNELFE-JTQLQIEISA-N 1 2 298.347 -2.108 20 0 CAADLO Cn1ncc(C[NH2+][C@H](CO)CNC(=O)c2cnon2)n1 ZINC001507239162 894016711 /nfs/dbraw/zinc/01/67/11/894016711.db2.gz MGJGNKJYDWAHGF-QMMMGPOBSA-N 1 2 281.276 -1.921 20 0 CAADLO O=C(CCc1cnn[nH]1)NC[C@@H](CO)[NH2+][C@H]1CCNC1=O ZINC001507237493 894016830 /nfs/dbraw/zinc/01/68/30/894016830.db2.gz FZEDHWDGJZMWDD-UWVGGRQHSA-N 1 2 296.331 -2.308 20 0 CAADLO Cc1cnc(C[NH2+][C@H](CO)CNC(=O)c2nnc[nH]2)cn1 ZINC001507238449 894018285 /nfs/dbraw/zinc/01/82/85/894018285.db2.gz JMGXPVIBGZYBAH-JTQLQIEISA-N 1 2 291.315 -1.216 20 0 CAADLO Cc1cnoc1C(=O)NC[C@H](CO)[NH2+]Cc1nncn1C ZINC001507249623 894021744 /nfs/dbraw/zinc/02/17/44/894021744.db2.gz VNLMPVHDOOBVGY-SECBINFHSA-N 1 2 294.315 -1.008 20 0 CAADLO Cc1nnc(C[NH2+][C@@H](CO)CNC(=O)[C@@H]2CCC(=O)N2)[nH]1 ZINC001507252785 894025819 /nfs/dbraw/zinc/02/58/19/894025819.db2.gz QNTYRQCWGKJZBU-BDAKNGLRSA-N 1 2 296.331 -2.042 20 0 CAADLO Cc1nnc(C[NH2+][C@H](CO)CNC(=O)[C@@H]2CCC(=O)N2)[nH]1 ZINC001507252788 894026824 /nfs/dbraw/zinc/02/68/24/894026824.db2.gz QNTYRQCWGKJZBU-IUCAKERBSA-N 1 2 296.331 -2.042 20 0 CAADLO Cn1ccc(C(=O)NC[C@@H](CO)[NH2+]Cc2nnnn2C)n1 ZINC001507261649 894032854 /nfs/dbraw/zinc/03/28/54/894032854.db2.gz SVKJFIMRVFMIJA-QMMMGPOBSA-N 1 2 294.319 -2.176 20 0 CAADLO Cc1nnc(CN[C@@H](CO)CNC(=O)Cn2cc[nH+]c2)o1 ZINC001507266756 894033891 /nfs/dbraw/zinc/03/38/91/894033891.db2.gz HYUGRVYCOPTJFX-SNVBAGLBSA-N 1 2 294.315 -1.159 20 0 CAADLO Cc1nnc(CN[C@H](CO)CNC(=O)Cn2cc[nH+]c2)o1 ZINC001507266755 894033917 /nfs/dbraw/zinc/03/39/17/894033917.db2.gz HYUGRVYCOPTJFX-JTQLQIEISA-N 1 2 294.315 -1.159 20 0 CAADLO CN(C[C@@H](O)C[NH2+]Cc1cnsn1)C(=O)c1cn[nH]n1 ZINC001507489700 894057554 /nfs/dbraw/zinc/05/75/54/894057554.db2.gz DWMOOVNKVMUUCP-QMMMGPOBSA-N 1 2 297.344 -1.121 20 0 CAADLO CN(C[C@H](O)C[NH2+]Cc1cnsn1)C(=O)c1cn[nH]n1 ZINC001507489699 894057825 /nfs/dbraw/zinc/05/78/25/894057825.db2.gz DWMOOVNKVMUUCP-MRVPVSSYSA-N 1 2 297.344 -1.121 20 0 CAADLO CNC(=O)C[N@H+](CCNC(=O)c1ccnnc1)CCOC ZINC001508053790 894078799 /nfs/dbraw/zinc/07/87/99/894078799.db2.gz YYNPQWYHCUDUJQ-UHFFFAOYSA-N 1 2 295.343 -1.099 20 0 CAADLO CNC(=O)C[N@@H+](CCNC(=O)c1ccnnc1)CCOC ZINC001508053790 894078818 /nfs/dbraw/zinc/07/88/18/894078818.db2.gz YYNPQWYHCUDUJQ-UHFFFAOYSA-N 1 2 295.343 -1.099 20 0 CAADLO COCC[N@H+](CCNC(=O)c1n[nH]cc1F)CC(N)=O ZINC001508053438 894078983 /nfs/dbraw/zinc/07/89/83/894078983.db2.gz ROHAPLTXQDHEKB-UHFFFAOYSA-N 1 2 287.295 -1.288 20 0 CAADLO COCC[N@@H+](CCNC(=O)c1n[nH]cc1F)CC(N)=O ZINC001508053438 894079004 /nfs/dbraw/zinc/07/90/04/894079004.db2.gz ROHAPLTXQDHEKB-UHFFFAOYSA-N 1 2 287.295 -1.288 20 0 CAADLO COCC[N@H+](C)C[C@@H](O)CN(C)C(=O)Cc1ncn[nH]1 ZINC001507720578 894082919 /nfs/dbraw/zinc/08/29/19/894082919.db2.gz YGYCXKIHVAHSIZ-SNVBAGLBSA-N 1 2 285.348 -1.255 20 0 CAADLO COCC[N@@H+](C)C[C@@H](O)CN(C)C(=O)Cc1ncn[nH]1 ZINC001507720578 894082936 /nfs/dbraw/zinc/08/29/36/894082936.db2.gz YGYCXKIHVAHSIZ-SNVBAGLBSA-N 1 2 285.348 -1.255 20 0 CAADLO C[C@@H](NC(=O)Cc1c[nH+]cn1C)[C@H](C)NC(=O)C(N)=O ZINC001508589088 894088368 /nfs/dbraw/zinc/08/83/68/894088368.db2.gz AFWSDTHMFUEDSE-SFYZADRCSA-N 1 2 281.316 -1.543 20 0 CAADLO C[C@@H](NC(=O)C(N)=O)[C@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001508589084 894090135 /nfs/dbraw/zinc/09/01/35/894090135.db2.gz AFWSDTHMFUEDSE-JGVFFNPUSA-N 1 2 281.316 -1.543 20 0 CAADLO C[C@@H](CNC(=O)Cn1cc[nH+]c1)N(C)C(=O)CC(N)=O ZINC001508931644 894093360 /nfs/dbraw/zinc/09/33/60/894093360.db2.gz KPUSYSFTQGFRKO-VIFPVBQESA-N 1 2 281.316 -1.278 20 0 CAADLO COCC(=O)N1CC(CCO)(NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001509208632 894099237 /nfs/dbraw/zinc/09/92/37/894099237.db2.gz CZBTYRDDMMJOIY-UHFFFAOYSA-N 1 2 296.327 -1.322 20 0 CAADLO C[C@@H](NC(=O)CCn1cc[nH+]c1)C1CN(C(=O)C(N)=O)C1 ZINC001509474911 894102333 /nfs/dbraw/zinc/10/23/33/894102333.db2.gz UJIAJJPSPGMJFD-SECBINFHSA-N 1 2 293.327 -1.278 20 0 CAADLO O=C(Cc1[nH]cc[nH+]1)N[C@H](CO)CNC(=O)[C@H]1CCCO1 ZINC001510845740 894123041 /nfs/dbraw/zinc/12/30/41/894123041.db2.gz TUASTCYHEPFREV-VHSXEESVSA-N 1 2 296.327 -1.276 20 0 CAADLO O=C(Cc1[nH]cc[nH+]1)N[C@@H](CO)CNC(=O)[C@@H]1CCCO1 ZINC001510845744 894123185 /nfs/dbraw/zinc/12/31/85/894123185.db2.gz TUASTCYHEPFREV-ZJUUUORDSA-N 1 2 296.327 -1.276 20 0 CAADLO O=C(Cc1c[nH]c[nH+]1)N[C@@H](CO)CNC(=O)c1cn[nH]c1 ZINC001510862965 894125898 /nfs/dbraw/zinc/12/58/98/894125898.db2.gz XGTPFCPMXMIMHH-SNVBAGLBSA-N 1 2 292.299 -1.418 20 0 CAADLO CO[C@@H](C)CC(=O)NC[C@@H](CO)NC(=O)Cc1c[nH]c[nH+]1 ZINC001510871066 894128355 /nfs/dbraw/zinc/12/83/55/894128355.db2.gz AOBVHNJYNKNRHL-ONGXEEELSA-N 1 2 298.343 -1.030 20 0 CAADLO CC[C@H](OC)C(=O)NC[C@H](CO)NC(=O)Cc1c[nH]c[nH+]1 ZINC001510878041 894128818 /nfs/dbraw/zinc/12/88/18/894128818.db2.gz TWWBOJACMIUPKQ-MNOVXSKESA-N 1 2 298.343 -1.030 20 0 CAADLO CO[C@H](C)CC(=O)NC[C@@H](CO)NC(=O)Cc1c[nH]c[nH+]1 ZINC001510871058 894129894 /nfs/dbraw/zinc/12/98/94/894129894.db2.gz AOBVHNJYNKNRHL-KOLCDFICSA-N 1 2 298.343 -1.030 20 0 CAADLO COCCC(=O)N[C@H](CO)CNC(=O)Cc1c[nH+]cn1C ZINC001511024873 894140535 /nfs/dbraw/zinc/14/05/35/894140535.db2.gz LZWRDBZDFJJJNN-JTQLQIEISA-N 1 2 298.343 -1.408 20 0 CAADLO O=C(Cc1[nH]cc[nH+]1)NC[C@@H](CO)NC(=O)[C@H]1CCOC1 ZINC001511080441 894146538 /nfs/dbraw/zinc/14/65/38/894146538.db2.gz MCJMIVXSARLYNJ-UWVGGRQHSA-N 1 2 296.327 -1.418 20 0 CAADLO O=C(Cc1[nH]cc[nH+]1)NC[C@H](CO)NC(=O)[C@H]1CCOC1 ZINC001511080443 894147275 /nfs/dbraw/zinc/14/72/75/894147275.db2.gz MCJMIVXSARLYNJ-VHSXEESVSA-N 1 2 296.327 -1.418 20 0 CAADLO O=C(Cc1[nH]cc[nH+]1)NC[C@H](CO)NC(=O)[C@@H]1CCOC1 ZINC001511080438 894147577 /nfs/dbraw/zinc/14/75/77/894147577.db2.gz MCJMIVXSARLYNJ-NXEZZACHSA-N 1 2 296.327 -1.418 20 0 CAADLO CCO[C@@H](C)C(=O)N[C@@H](CO)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001511133258 894151491 /nfs/dbraw/zinc/15/14/91/894151491.db2.gz NRGMASPMDUZZGR-GXSJLCMTSA-N 1 2 298.343 -1.030 20 0 CAADLO CCO[C@H](C)C(=O)N[C@H](CO)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001511133262 894152731 /nfs/dbraw/zinc/15/27/31/894152731.db2.gz NRGMASPMDUZZGR-KOLCDFICSA-N 1 2 298.343 -1.030 20 0 CAADLO C[C@@H]1C[C@H](NC(=O)CCn2cc[nH+]c2)CN1C(=O)C(N)=O ZINC001511284782 894154216 /nfs/dbraw/zinc/15/42/16/894154216.db2.gz GLORTBZHFCMJHO-ZJUUUORDSA-N 1 2 293.327 -1.136 20 0 CAADLO C[C@H]1C[C@H](NC(=O)CCn2cc[nH+]c2)CN1C(=O)C(N)=O ZINC001511284777 894154380 /nfs/dbraw/zinc/15/43/80/894154380.db2.gz GLORTBZHFCMJHO-UWVGGRQHSA-N 1 2 293.327 -1.136 20 0 CAADLO C[C@H]1C[C@@H](NC(=O)CCn2cc[nH+]c2)CN1C(=O)C(N)=O ZINC001511284780 894154625 /nfs/dbraw/zinc/15/46/25/894154625.db2.gz GLORTBZHFCMJHO-VHSXEESVSA-N 1 2 293.327 -1.136 20 0 CAADLO NC(=O)C(=O)N[C@@H]1CC[C@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001511434760 894155031 /nfs/dbraw/zinc/15/50/31/894155031.db2.gz AFGNWSGGRIRCJH-DTWKUNHWSA-N 1 2 293.327 -1.161 20 0 CAADLO NC(=O)C(=O)N[C@H]1CC[C@@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001511434746 894155731 /nfs/dbraw/zinc/15/57/31/894155731.db2.gz AFGNWSGGRIRCJH-BDAKNGLRSA-N 1 2 293.327 -1.161 20 0 CAADLO NC(=O)C(=O)NCC1=CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001512084593 894169099 /nfs/dbraw/zinc/16/90/99/894169099.db2.gz YECXYVPEFKCGRA-UHFFFAOYSA-N 1 2 291.311 -1.288 20 0 CAADLO O=C(c1n[nH]c2c1C[NH2+]CC2)N1CCNNCC1 ZINC001515575397 894186784 /nfs/dbraw/zinc/18/67/84/894186784.db2.gz VUBWAJZQRDWQKM-UHFFFAOYSA-N 1 2 250.306 -1.395 20 0 CAADLO C[C@@H]1C[N@H+](CCNC(=O)Cn2ncnn2)CCO1 ZINC001519290026 894191468 /nfs/dbraw/zinc/19/14/68/894191468.db2.gz IQPZNVAAQOXCSE-SECBINFHSA-N 1 2 254.294 -1.490 20 0 CAADLO C[C@@H]1C[N@@H+](CCNC(=O)Cn2ncnn2)CCO1 ZINC001519290026 894191476 /nfs/dbraw/zinc/19/14/76/894191476.db2.gz IQPZNVAAQOXCSE-SECBINFHSA-N 1 2 254.294 -1.490 20 0 CAADLO C[C@H]1C[N@H+](CCNC(=O)Cn2ncnn2)CCO1 ZINC001519290044 894192492 /nfs/dbraw/zinc/19/24/92/894192492.db2.gz IQPZNVAAQOXCSE-VIFPVBQESA-N 1 2 254.294 -1.490 20 0 CAADLO C[C@H]1C[N@@H+](CCNC(=O)Cn2ncnn2)CCO1 ZINC001519290044 894192499 /nfs/dbraw/zinc/19/24/99/894192499.db2.gz IQPZNVAAQOXCSE-VIFPVBQESA-N 1 2 254.294 -1.490 20 0 CAADLO Cn1cc[nH+]c1CCNC(=O)Cn1ncn(C)c1=O ZINC001520626649 894194719 /nfs/dbraw/zinc/19/47/19/894194719.db2.gz SHDKVQDKGWPHCE-UHFFFAOYSA-N 1 2 264.289 -1.326 20 0 CAADLO C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NCc1nn[nH]n1 ZINC001520982010 894197278 /nfs/dbraw/zinc/19/72/78/894197278.db2.gz ONMCHIBEVVSZLK-HTQZYQBOSA-N 1 2 251.294 -1.796 20 0 CAADLO C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NCc1nn[nH]n1 ZINC001520982010 894197285 /nfs/dbraw/zinc/19/72/85/894197285.db2.gz ONMCHIBEVVSZLK-HTQZYQBOSA-N 1 2 251.294 -1.796 20 0 CAADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)Cn1ncnn1 ZINC001520960811 894198551 /nfs/dbraw/zinc/19/85/51/894198551.db2.gz BIGYLIMIUZCVCL-SECBINFHSA-N 1 2 254.294 -1.490 20 0 CAADLO C[C@@H]1COCC[N@H+]1CCNC(=O)Cn1ncnn1 ZINC001520960811 894198559 /nfs/dbraw/zinc/19/85/59/894198559.db2.gz BIGYLIMIUZCVCL-SECBINFHSA-N 1 2 254.294 -1.490 20 0 CAADLO C[C@H]1CN2CC[N@@H+]1C[C@H]2C(=O)NN1CCCNC1=O ZINC001521308072 894202235 /nfs/dbraw/zinc/20/22/35/894202235.db2.gz HQPHIKGMOQKRRB-UWVGGRQHSA-N 1 2 267.333 -1.179 20 0 CAADLO C[C@H]1CN2CC[N@H+]1C[C@H]2C(=O)NN1CCCNC1=O ZINC001521308072 894202249 /nfs/dbraw/zinc/20/22/49/894202249.db2.gz HQPHIKGMOQKRRB-UWVGGRQHSA-N 1 2 267.333 -1.179 20 0 CAADLO COC[C@@H](C(N)=O)N(C)C(=O)C[C@H]([NH3+])C(F)F ZINC001522429940 894219642 /nfs/dbraw/zinc/21/96/42/894219642.db2.gz CEVLWHRZHQQPDX-WDSKDSINSA-N 1 2 253.249 -1.072 20 0 CAADLO CC(=O)N[C@@H](C)C(=O)NCCNC(=O)Cc1c[nH+]cn1C ZINC001522502733 894227022 /nfs/dbraw/zinc/22/70/22/894227022.db2.gz LSCJKYNTUPUAES-VIFPVBQESA-N 1 2 295.343 -1.280 20 0 CAADLO O=C(CNC(=O)C1CC1)NCCNC(=O)Cc1c[nH]c[nH+]1 ZINC001522535499 894231124 /nfs/dbraw/zinc/23/11/24/894231124.db2.gz ZAZDZGJRMZCMBE-UHFFFAOYSA-N 1 2 293.327 -1.289 20 0 CAADLO CCNC(=O)CC(=O)NCCNC(=O)Cn1cc[nH+]c1 ZINC001522593834 894240643 /nfs/dbraw/zinc/24/06/43/894240643.db2.gz ASOHESLMYRBPLJ-UHFFFAOYSA-N 1 2 281.316 -1.358 20 0 CAADLO CNC(=O)NCC(=O)NCCNC(=O)Cc1c[nH+]cn1C ZINC001522692107 894244357 /nfs/dbraw/zinc/24/43/57/894244357.db2.gz JBVBFJSFMDYQEC-UHFFFAOYSA-N 1 2 296.331 -1.876 20 0 CAADLO O=C(CCc1c[nH]c[nH+]1)NCCNC(=O)Cn1cncn1 ZINC001522707447 894247739 /nfs/dbraw/zinc/24/77/39/894247739.db2.gz IHAQBMPJVZZWSB-UHFFFAOYSA-N 1 2 291.315 -1.134 20 0 CAADLO O=C(CCc1c[nH+]c[nH]1)NCCNC(=O)Cn1cncn1 ZINC001522707447 894247755 /nfs/dbraw/zinc/24/77/55/894247755.db2.gz IHAQBMPJVZZWSB-UHFFFAOYSA-N 1 2 291.315 -1.134 20 0 CAADLO NC(=O)CCCC(=O)NCCNC(=O)Cn1cc[nH+]c1 ZINC001522727294 894247868 /nfs/dbraw/zinc/24/78/68/894247868.db2.gz CMZJWXVJYHFWJF-UHFFFAOYSA-N 1 2 281.316 -1.229 20 0 CAADLO O=C(CCc1c[nH]c[nH+]1)NCCNC(=O)[C@@H]1CNC(=O)N1 ZINC001522707555 894248140 /nfs/dbraw/zinc/24/81/40/894248140.db2.gz KMMUTARJXRRMSG-VIFPVBQESA-N 1 2 294.315 -1.744 20 0 CAADLO O=C(CCc1c[nH+]c[nH]1)NCCNC(=O)[C@@H]1CNC(=O)N1 ZINC001522707555 894248148 /nfs/dbraw/zinc/24/81/48/894248148.db2.gz KMMUTARJXRRMSG-VIFPVBQESA-N 1 2 294.315 -1.744 20 0 CAADLO Cn1c[nH+]cc1CC(=O)NCCNC(=O)C(N)=O ZINC001522767479 894249336 /nfs/dbraw/zinc/24/93/36/894249336.db2.gz XEPIRDUXAXVQEQ-UHFFFAOYSA-N 1 2 253.262 -2.320 20 0 CAADLO Cn1c(C(=O)NCCNC(=O)Cc2[nH]cc[nH+]2)c[nH]c1=O ZINC001522786815 894251054 /nfs/dbraw/zinc/25/10/54/894251054.db2.gz VJDKYRCBZIYEIK-UHFFFAOYSA-N 1 2 292.299 -1.063 20 0 CAADLO C[C@H](CC(N)=O)C(=O)NCCNC(=O)Cc1c[nH]c[nH+]1 ZINC001522784061 894252733 /nfs/dbraw/zinc/25/27/33/894252733.db2.gz CVLBGWPHYOXGQB-MRVPVSSYSA-N 1 2 281.316 -1.304 20 0 CAADLO NC(=O)C(=O)N1CCC(NC(=O)CCn2cc[nH+]c2)CC1 ZINC001523250532 894265284 /nfs/dbraw/zinc/26/52/84/894265284.db2.gz OKYUXVGLNVMXPY-UHFFFAOYSA-N 1 2 293.327 -1.134 20 0 CAADLO C[C@@H](O)C(C)(C)CNC(=O)CN1CC[NH2+]CC1=O ZINC001523686131 894270483 /nfs/dbraw/zinc/27/04/83/894270483.db2.gz XFTUGTDFGKWNLB-SECBINFHSA-N 1 2 257.334 -1.059 20 0 CAADLO Cn1cc[nH+]c1CCC(=O)N[C@@H]1CCN(C(=O)C(N)=O)C1 ZINC001524217989 894278455 /nfs/dbraw/zinc/27/84/55/894278455.db2.gz PWXUSZCDSLYKPT-SECBINFHSA-N 1 2 293.327 -1.445 20 0 CAADLO Cc1c[nH+]c2cc(C(=O)NC(C(N)=O)C(N)=O)ccn12 ZINC001525631683 894292271 /nfs/dbraw/zinc/29/22/71/894292271.db2.gz XVHKQHPERIJGLM-UHFFFAOYSA-N 1 2 275.268 -1.288 20 0 CAADLO CNC(=O)NCC(=O)NC[C@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001526665557 894303115 /nfs/dbraw/zinc/30/31/15/894303115.db2.gz QCNIKONFEAARBJ-QMMMGPOBSA-N 1 2 296.331 -1.498 20 0 CAADLO C[C@H](CNC(=O)[C@@H]1CNC(=O)N1)NC(=O)Cn1cc[nH+]c1 ZINC001526933620 894305746 /nfs/dbraw/zinc/30/57/46/894305746.db2.gz NKOFWHPZOGUNKU-BDAKNGLRSA-N 1 2 294.315 -1.815 20 0 CAADLO C[C@@H](CNC(=O)C(N)=O)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001526939406 894306603 /nfs/dbraw/zinc/30/66/03/894306603.db2.gz FRIBCNRPIDSNIW-XLPZGREQSA-N 1 2 279.300 -1.381 20 0 CAADLO C[C@@H](CNC(=O)C(N)=O)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001526939406 894306614 /nfs/dbraw/zinc/30/66/14/894306614.db2.gz FRIBCNRPIDSNIW-XLPZGREQSA-N 1 2 279.300 -1.381 20 0 CAADLO NC(=O)CC(=O)NC[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001527258714 894308859 /nfs/dbraw/zinc/30/88/59/894308859.db2.gz UUYNIVQBTNTTBP-VIFPVBQESA-N 1 2 293.327 -1.208 20 0 CAADLO NC(=O)CC(=O)NC[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001527258713 894310403 /nfs/dbraw/zinc/31/04/03/894310403.db2.gz UUYNIVQBTNTTBP-SECBINFHSA-N 1 2 293.327 -1.208 20 0 CAADLO CN(CCNC(=O)CCNC(N)=O)C(=O)Cc1c[nH+]c[nH]1 ZINC001528117413 894323417 /nfs/dbraw/zinc/32/34/17/894323417.db2.gz PRSMHUJVUKWLEK-UHFFFAOYSA-N 1 2 296.331 -1.415 20 0 CAADLO CN(CCNC(=O)c1cn(C)nn1)C(=O)Cc1[nH]cc[nH+]1 ZINC001528094229 894324230 /nfs/dbraw/zinc/32/42/30/894324230.db2.gz LUYPUSYHRJGVKO-UHFFFAOYSA-N 1 2 291.315 -1.031 20 0 CAADLO CN(CCNC(=O)Cn1cc[nH+]c1)C(=O)[C@H]1COC(=O)N1 ZINC001528349811 894328990 /nfs/dbraw/zinc/32/89/90/894328990.db2.gz ISNGTCYXSUQHMZ-SECBINFHSA-N 1 2 295.299 -1.434 20 0 CAADLO CN(CCNC(=O)Cn1cc[nH+]c1)C(=O)Cn1cnnn1 ZINC001528349088 894329657 /nfs/dbraw/zinc/32/96/57/894329657.db2.gz BOACRYHERLDJLW-UHFFFAOYSA-N 1 2 292.303 -1.856 20 0 CAADLO CN(CCNC(=O)C1(C(N)=O)CC1)C(=O)Cc1c[nH+]c[nH]1 ZINC001528586323 894330974 /nfs/dbraw/zinc/33/09/74/894330974.db2.gz BTWORTPVJSRFFL-UHFFFAOYSA-N 1 2 293.327 -1.208 20 0 CAADLO CN(CCNC(=O)c1nnc[nH]1)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001528520778 894332027 /nfs/dbraw/zinc/33/20/27/894332027.db2.gz XWBKUWCQIQLDHR-VIFPVBQESA-N 1 2 296.331 -1.677 20 0 CAADLO CN(CCNC(=O)c1nnc[nH]1)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001528520778 894332044 /nfs/dbraw/zinc/33/20/44/894332044.db2.gz XWBKUWCQIQLDHR-VIFPVBQESA-N 1 2 296.331 -1.677 20 0 CAADLO CCN(CCNC(=O)Cc1c[nH+]cn1C)C(=O)C(N)=O ZINC001528969932 894337858 /nfs/dbraw/zinc/33/78/58/894337858.db2.gz QQFMGGSEQHYAKL-UHFFFAOYSA-N 1 2 281.316 -1.587 20 0 CAADLO CC(C)(C[NH+]1CCOCC1)NC(=O)Cn1cnnn1 ZINC001528974697 894338506 /nfs/dbraw/zinc/33/85/06/894338506.db2.gz JUIVZHIRPYYRRY-UHFFFAOYSA-N 1 2 268.321 -1.100 20 0 CAADLO CCN(CCNC(=O)CC(N)=O)C(=O)Cn1cc[nH+]c1 ZINC001528791329 894339466 /nfs/dbraw/zinc/33/94/66/894339466.db2.gz PBXJMOVLOOYQSK-UHFFFAOYSA-N 1 2 281.316 -1.277 20 0 CAADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC(NC(=O)CC(N)=O)C1 ZINC001530387354 894356305 /nfs/dbraw/zinc/35/63/05/894356305.db2.gz NPODDGLXUKPPHH-QMMMGPOBSA-N 1 2 293.327 -1.209 20 0 CAADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC(NC(=O)CC(N)=O)C1 ZINC001530387354 894356312 /nfs/dbraw/zinc/35/63/12/894356312.db2.gz NPODDGLXUKPPHH-QMMMGPOBSA-N 1 2 293.327 -1.209 20 0 CAADLO COCCOCC(=O)NC1CN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001530381169 894356762 /nfs/dbraw/zinc/35/67/62/894356762.db2.gz DEVJPAGQRBHKQG-UHFFFAOYSA-N 1 2 296.327 -1.058 20 0 CAADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC(NC(=O)CC(N)=O)C1 ZINC001530387353 894357631 /nfs/dbraw/zinc/35/76/31/894357631.db2.gz NPODDGLXUKPPHH-MRVPVSSYSA-N 1 2 293.327 -1.209 20 0 CAADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC(NC(=O)CC(N)=O)C1 ZINC001530387353 894357645 /nfs/dbraw/zinc/35/76/45/894357645.db2.gz NPODDGLXUKPPHH-MRVPVSSYSA-N 1 2 293.327 -1.209 20 0 CAADLO C[C@H](CC(=O)NC1CN(C(=O)C(N)=O)C1)n1cc[nH+]c1 ZINC001530444047 894358550 /nfs/dbraw/zinc/35/85/50/894358550.db2.gz AGDQXPCTTFSUQG-MRVPVSSYSA-N 1 2 279.300 -1.354 20 0 CAADLO COC(=O)NCC(=O)N1CC(NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001530602883 894363588 /nfs/dbraw/zinc/36/35/88/894363588.db2.gz UMHUKLGWEXGQMS-UHFFFAOYSA-N 1 2 295.299 -1.365 20 0 CAADLO COCCOCC(=O)N1CC(NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001530602060 894363958 /nfs/dbraw/zinc/36/39/58/894363958.db2.gz KWLWNAZTXWQEDW-UHFFFAOYSA-N 1 2 296.327 -1.058 20 0 CAADLO Cc1[nH+]c[nH]c1CC(=O)N1CC(CNC(=O)CC(N)=O)C1 ZINC001530724515 894368903 /nfs/dbraw/zinc/36/89/03/894368903.db2.gz STTRDFKYIPCLRF-UHFFFAOYSA-N 1 2 293.327 -1.289 20 0 CAADLO NC(=O)C(=O)NCC1CN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001530882058 894372683 /nfs/dbraw/zinc/37/26/83/894372683.db2.gz NNUZIAASTXJKSJ-UHFFFAOYSA-N 1 2 279.300 -1.598 20 0 CAADLO NC(=O)C(=O)NCC1CN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001530882058 894372693 /nfs/dbraw/zinc/37/26/93/894372693.db2.gz NNUZIAASTXJKSJ-UHFFFAOYSA-N 1 2 279.300 -1.598 20 0 CAADLO CC[C@H](CNC(=O)CC(N)=O)NC(=O)Cn1cc[nH+]c1 ZINC001531118564 894377192 /nfs/dbraw/zinc/37/71/92/894377192.db2.gz UVBNGQULPUAYLL-SECBINFHSA-N 1 2 281.316 -1.231 20 0 CAADLO CC[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)NC(=O)C(N)=O ZINC001531431203 894380952 /nfs/dbraw/zinc/38/09/52/894380952.db2.gz AKTLYYZRKPAAHP-ZETCQYMHSA-N 1 2 267.289 -1.552 20 0 CAADLO CC[C@H](CNC(=O)Cc1[nH]cc[nH+]1)NC(=O)C(N)=O ZINC001531431202 894381794 /nfs/dbraw/zinc/38/17/94/894381794.db2.gz AKTLYYZRKPAAHP-SSDOTTSWSA-N 1 2 267.289 -1.552 20 0 CAADLO CN(CCN(C)C(=O)C(N)=O)C(=O)Cc1c[nH+]c[nH]1 ZINC001533040383 894392171 /nfs/dbraw/zinc/39/21/71/894392171.db2.gz IEMZHDVAFCUSMJ-UHFFFAOYSA-N 1 2 267.289 -1.646 20 0 CAADLO CC(=O)NC[C@@H](O)CNC(=O)CCn1cc[nH+]c1 ZINC001533140077 894396615 /nfs/dbraw/zinc/39/66/15/894396615.db2.gz HQSDIVGZFVAHBI-SNVBAGLBSA-N 1 2 254.290 -1.114 20 0 CAADLO O=C(Cc1c[nH]c[nH+]1)NC[C@@H](O)CNC(=O)c1cocn1 ZINC001533206140 894404904 /nfs/dbraw/zinc/40/49/04/894404904.db2.gz BTZDVENOBIDUGT-SECBINFHSA-N 1 2 293.283 -1.153 20 0 CAADLO NC(=O)CC(=O)NC[C@@H](O)CNC(=O)CCn1cc[nH+]c1 ZINC001533215794 894407125 /nfs/dbraw/zinc/40/71/25/894407125.db2.gz UVTBUIZTDYHPNN-VIFPVBQESA-N 1 2 297.315 -2.258 20 0 CAADLO C[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)NC(=O)C(N)=O ZINC001533896594 894419902 /nfs/dbraw/zinc/41/99/02/894419902.db2.gz KXOVIJRIFHHIHD-BWZBUEFSSA-N 1 2 279.300 -1.381 20 0 CAADLO C[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)NC(=O)C(N)=O ZINC001533896594 894419915 /nfs/dbraw/zinc/41/99/15/894419915.db2.gz KXOVIJRIFHHIHD-BWZBUEFSSA-N 1 2 279.300 -1.381 20 0 CAADLO C[C@@H](CNC(=O)C(N)=O)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001534133419 894422770 /nfs/dbraw/zinc/42/27/70/894422770.db2.gz CSEWYJUWEAOYTA-IUCAKERBSA-N 1 2 281.316 -1.060 20 0 CAADLO C[C@@H](CNC(=O)CCn1cc[nH+]c1)NC(=O)C(N)=O ZINC001534386685 894424617 /nfs/dbraw/zinc/42/46/17/894424617.db2.gz YRSOOVNWPFQJPK-QMMMGPOBSA-N 1 2 267.289 -1.621 20 0 CAADLO C[C@@H](CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)NC(=O)C(N)=O ZINC001534385943 894425944 /nfs/dbraw/zinc/42/59/44/894425944.db2.gz KEQZTEUCJUKZGT-YUMQZZPRSA-N 1 2 281.316 -1.306 20 0 CAADLO C[C@@H](CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)NC(=O)C(N)=O ZINC001534385943 894425953 /nfs/dbraw/zinc/42/59/53/894425953.db2.gz KEQZTEUCJUKZGT-YUMQZZPRSA-N 1 2 281.316 -1.306 20 0 CAADLO CC(=O)NCC(=O)NC[C@H]1CCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001534653358 894427630 /nfs/dbraw/zinc/42/76/30/894427630.db2.gz LXIDYEFVHXTHHZ-LLVKDONJSA-N 1 2 293.327 -1.195 20 0 CAADLO CC(=O)NCC(=O)NC[C@@H]1CCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001534653359 894427891 /nfs/dbraw/zinc/42/78/91/894427891.db2.gz LXIDYEFVHXTHHZ-NSHDSACASA-N 1 2 293.327 -1.195 20 0 CAADLO CC(=O)NCC(=O)NC1(CNC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001535843315 894438716 /nfs/dbraw/zinc/43/87/16/894438716.db2.gz QFAYDPGXLGTIJF-UHFFFAOYSA-N 1 2 293.327 -1.147 20 0 CAADLO Cc1[nH+]c[nH]c1CC(=O)NCC1(NC(=O)CC(N)=O)CC1 ZINC001535696588 894439113 /nfs/dbraw/zinc/43/91/13/894439113.db2.gz KQENLQQCHIKGNY-UHFFFAOYSA-N 1 2 293.327 -1.099 20 0 CAADLO C[C@]1(CNC(=O)Cc2[nH]cc[nH+]2)CCN(C(=O)C(N)=O)C1 ZINC001537073963 894443280 /nfs/dbraw/zinc/44/32/80/894443280.db2.gz VKZZGCNAHKUBMV-CYBMUJFWSA-N 1 2 293.327 -1.208 20 0 CAADLO C[C@]1(NC(=O)Cn2cc[nH+]c2)CCN(C(=O)CC(N)=O)C1 ZINC001536854102 894444124 /nfs/dbraw/zinc/44/41/24/894444124.db2.gz SXZFCQWCXKEZKC-ZDUSSCGKSA-N 1 2 293.327 -1.134 20 0 CAADLO Nc1nnn(CC(=O)NCCCn2cc[nH+]c2)n1 ZINC001540323007 894454250 /nfs/dbraw/zinc/45/42/50/894454250.db2.gz HLUHOKQVEVPTAC-UHFFFAOYSA-N 1 2 250.266 -1.342 20 0 CAADLO NC(=O)C(NC(=O)Cc1cn2c([nH+]1)CCCC2)C(N)=O ZINC001540569273 894456932 /nfs/dbraw/zinc/45/69/32/894456932.db2.gz KKRIGKFCMWBFQW-UHFFFAOYSA-N 1 2 279.300 -1.783 20 0 CAADLO NC(=O)C(NC(=O)/C=C\C[NH+]1CCOCC1)C(N)=O ZINC001540569375 894457247 /nfs/dbraw/zinc/45/72/47/894457247.db2.gz NINGFOWUZAXSLA-UPHRSURJSA-N 1 2 270.289 -2.670 20 0 CAADLO CN1CC[N@H+](C)C[C@H]1CNC(=O)CCc1nn[nH]n1 ZINC001543384380 894467226 /nfs/dbraw/zinc/46/72/26/894467226.db2.gz WSQKWXFWPMYCRF-SECBINFHSA-N 1 2 267.337 -1.506 20 0 CAADLO CN1CC[N@@H+](C)C[C@H]1CNC(=O)CCc1nn[nH]n1 ZINC001543384380 894467234 /nfs/dbraw/zinc/46/72/34/894467234.db2.gz WSQKWXFWPMYCRF-SECBINFHSA-N 1 2 267.337 -1.506 20 0 CAADLO Cn1cc[nH+]c1CCC(=O)NCCS(N)(=O)=O ZINC001544319596 894472576 /nfs/dbraw/zinc/47/25/76/894472576.db2.gz KFQLOOWGQUQVBB-UHFFFAOYSA-N 1 2 260.319 -1.243 20 0 CAADLO C[N@@H+]1C[C@@H](O)C[C@@]1(C)C(=O)NCc1n[nH]c(=O)[nH]1 ZINC001545329237 894479280 /nfs/dbraw/zinc/47/92/80/894479280.db2.gz ATBURFHDXGSAQZ-WKEGUHRASA-N 1 2 255.278 -1.418 20 0 CAADLO C[N@H+]1C[C@@H](O)C[C@@]1(C)C(=O)NCc1n[nH]c(=O)[nH]1 ZINC001545329237 894479289 /nfs/dbraw/zinc/47/92/89/894479289.db2.gz ATBURFHDXGSAQZ-WKEGUHRASA-N 1 2 255.278 -1.418 20 0 CAADLO C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)NCc1n[nH]c(=O)[nH]1 ZINC001545329234 894479901 /nfs/dbraw/zinc/47/99/01/894479901.db2.gz ATBURFHDXGSAQZ-LDWIPMOCSA-N 1 2 255.278 -1.418 20 0 CAADLO C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)NCc1n[nH]c(=O)[nH]1 ZINC001545329234 894479907 /nfs/dbraw/zinc/47/99/07/894479907.db2.gz ATBURFHDXGSAQZ-LDWIPMOCSA-N 1 2 255.278 -1.418 20 0 CAADLO C[C@H](CNC(=O)Cc1c[nH+]cn1C)S(N)(=O)=O ZINC001545867019 894481322 /nfs/dbraw/zinc/48/13/22/894481322.db2.gz RLEYJMFSPBWETM-SSDOTTSWSA-N 1 2 260.319 -1.244 20 0 CAADLO C[N@@H+]1CCO[C@@H](C(=O)N2CCOC[C@@H]2CC(N)=O)C1 ZINC001548489017 894487381 /nfs/dbraw/zinc/48/73/81/894487381.db2.gz BFDPBKHLSCXBLS-VHSXEESVSA-N 1 2 271.317 -1.580 20 0 CAADLO C[N@H+]1CCO[C@@H](C(=O)N2CCOC[C@@H]2CC(N)=O)C1 ZINC001548489017 894487386 /nfs/dbraw/zinc/48/73/86/894487386.db2.gz BFDPBKHLSCXBLS-VHSXEESVSA-N 1 2 271.317 -1.580 20 0 CAADLO C[C@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N1CCS(=O)CC1 ZINC001548642178 894489705 /nfs/dbraw/zinc/48/97/05/894489705.db2.gz VJSPMXQASXJGTA-QWRGUYRKSA-N 1 2 271.386 -1.034 20 0 CAADLO C[C@H]1CN2CC[N@H+]1C[C@H]2C(=O)N1CCS(=O)CC1 ZINC001548642178 894489709 /nfs/dbraw/zinc/48/97/09/894489709.db2.gz VJSPMXQASXJGTA-QWRGUYRKSA-N 1 2 271.386 -1.034 20 0 CAADLO C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N1CC[C@@H](c2nn[nH]n2)C1 ZINC001548762394 894502599 /nfs/dbraw/zinc/50/25/99/894502599.db2.gz OZPCJZDOAULEQC-MXWKQRLJSA-N 1 2 291.359 -1.096 20 0 CAADLO C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)N1CC[C@@H](c2nn[nH]n2)C1 ZINC001548762394 894502611 /nfs/dbraw/zinc/50/26/11/894502611.db2.gz OZPCJZDOAULEQC-MXWKQRLJSA-N 1 2 291.359 -1.096 20 0 CAADLO C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N1CC[C@H](c2nn[nH]n2)C1 ZINC001548762396 894504299 /nfs/dbraw/zinc/50/42/99/894504299.db2.gz OZPCJZDOAULEQC-OUAUKWLOSA-N 1 2 291.359 -1.096 20 0 CAADLO C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N1CC[C@H](c2nn[nH]n2)C1 ZINC001548762396 894504311 /nfs/dbraw/zinc/50/43/11/894504311.db2.gz OZPCJZDOAULEQC-OUAUKWLOSA-N 1 2 291.359 -1.096 20 0 CAADLO COCCN1C(=O)N[C@@H]2C[N@H+]([C@@H]3CC(=O)NC3=O)CC[C@H]21 ZINC001549134364 894511650 /nfs/dbraw/zinc/51/16/50/894511650.db2.gz PHUXIGRGAVEJNL-OPRDCNLKSA-N 1 2 296.327 -1.484 20 0 CAADLO COCCN1C(=O)N[C@@H]2C[N@@H+]([C@@H]3CC(=O)NC3=O)CC[C@H]21 ZINC001549134364 894511662 /nfs/dbraw/zinc/51/16/62/894511662.db2.gz PHUXIGRGAVEJNL-OPRDCNLKSA-N 1 2 296.327 -1.484 20 0 CAADLO COCCN1C(=O)N[C@@H]2C[N@H+]([C@@H]3CC(=O)NC3=O)CC[C@@H]21 ZINC001549134363 894512116 /nfs/dbraw/zinc/51/21/16/894512116.db2.gz PHUXIGRGAVEJNL-KXUCPTDWSA-N 1 2 296.327 -1.484 20 0 CAADLO COCCN1C(=O)N[C@@H]2C[N@@H+]([C@@H]3CC(=O)NC3=O)CC[C@@H]21 ZINC001549134363 894512126 /nfs/dbraw/zinc/51/21/26/894512126.db2.gz PHUXIGRGAVEJNL-KXUCPTDWSA-N 1 2 296.327 -1.484 20 0 CAADLO CCNC(=O)C[N@H+]1C[C@@H](Oc2cnn(C)c2)[C@@H](O)C1 ZINC001549597444 894517357 /nfs/dbraw/zinc/51/73/57/894517357.db2.gz OAFOYKDSDKZIDO-WDEREUQCSA-N 1 2 268.317 -1.020 20 0 CAADLO CCNC(=O)C[N@@H+]1C[C@@H](Oc2cnn(C)c2)[C@@H](O)C1 ZINC001549597444 894517365 /nfs/dbraw/zinc/51/73/65/894517365.db2.gz OAFOYKDSDKZIDO-WDEREUQCSA-N 1 2 268.317 -1.020 20 0 CAADLO CCn1cc(O[C@H]2C[N@H+](CC(=O)NC(N)=O)C[C@@H]2O)cn1 ZINC001549598033 894517912 /nfs/dbraw/zinc/51/79/12/894517912.db2.gz RHIPQKIJYOAEIU-UWVGGRQHSA-N 1 2 297.315 -1.478 20 0 CAADLO CCn1cc(O[C@H]2C[N@@H+](CC(=O)NC(N)=O)C[C@@H]2O)cn1 ZINC001549598033 894517921 /nfs/dbraw/zinc/51/79/21/894517921.db2.gz RHIPQKIJYOAEIU-UWVGGRQHSA-N 1 2 297.315 -1.478 20 0 CAADLO NC(=O)[C@@H]1CC[C@@H](C(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)O1 ZINC001549620241 894519157 /nfs/dbraw/zinc/51/91/57/894519157.db2.gz IDMZMEIVOPBXQW-USZNOCQGSA-N 1 2 297.355 -1.001 20 0 CAADLO NC(=O)[C@@H]1CC[C@@H](C(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)O1 ZINC001549620241 894519167 /nfs/dbraw/zinc/51/91/67/894519167.db2.gz IDMZMEIVOPBXQW-USZNOCQGSA-N 1 2 297.355 -1.001 20 0 CAADLO CCn1cc(O[C@H]2C[N@H+](CC(=O)NC(N)=O)C[C@H]2O)cn1 ZINC001549598035 894519202 /nfs/dbraw/zinc/51/92/02/894519202.db2.gz RHIPQKIJYOAEIU-ZJUUUORDSA-N 1 2 297.315 -1.478 20 0 CAADLO CCn1cc(O[C@H]2C[N@@H+](CC(=O)NC(N)=O)C[C@H]2O)cn1 ZINC001549598035 894519211 /nfs/dbraw/zinc/51/92/11/894519211.db2.gz RHIPQKIJYOAEIU-ZJUUUORDSA-N 1 2 297.315 -1.478 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1C[C@@H](Oc2cnn(C)c2)[C@@H](O)C1 ZINC001549594628 894519478 /nfs/dbraw/zinc/51/94/78/894519478.db2.gz AVSJOURUCAEADI-FKTZTGRPSA-N 1 2 254.290 -1.282 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1C[C@@H](Oc2cnn(C)c2)[C@@H](O)C1 ZINC001549594628 894519483 /nfs/dbraw/zinc/51/94/83/894519483.db2.gz AVSJOURUCAEADI-FKTZTGRPSA-N 1 2 254.290 -1.282 20 0 CAADLO Cn1cc(O[C@@H]2C[N@H+](CC(=O)NC(N)=O)C[C@@H]2O)cn1 ZINC001549596353 894519789 /nfs/dbraw/zinc/51/97/89/894519789.db2.gz ISZCZSMSYSBPAL-DTWKUNHWSA-N 1 2 283.288 -1.961 20 0 CAADLO Cn1cc(O[C@@H]2C[N@@H+](CC(=O)NC(N)=O)C[C@@H]2O)cn1 ZINC001549596353 894519798 /nfs/dbraw/zinc/51/97/98/894519798.db2.gz ISZCZSMSYSBPAL-DTWKUNHWSA-N 1 2 283.288 -1.961 20 0 CAADLO C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H](O)[C@@H](Oc2cnn(C)c2)C1 ZINC001549598245 894519872 /nfs/dbraw/zinc/51/98/72/894519872.db2.gz TXJFOCWAXPSUHE-QNSHHTMESA-N 1 2 297.315 -1.573 20 0 CAADLO C[C@H](C(=O)NC(N)=O)[N@H+]1C[C@@H](O)[C@@H](Oc2cnn(C)c2)C1 ZINC001549598245 894519886 /nfs/dbraw/zinc/51/98/86/894519886.db2.gz TXJFOCWAXPSUHE-QNSHHTMESA-N 1 2 297.315 -1.573 20 0 CAADLO O=C([C@@H]1CNC(=O)C1)N1CCO[C@@H](C[NH+]2CCOCC2)C1 ZINC001549865477 894523444 /nfs/dbraw/zinc/52/34/44/894523444.db2.gz OTTCSBNEDKSREI-RYUDHWBXSA-N 1 2 297.355 -1.318 20 0 CAADLO CN1C[C@H](C(=O)N2CC[C@@H]([NH+]3CCN(C)CC3)C2)NC1=O ZINC001550005201 894525761 /nfs/dbraw/zinc/52/57/61/894525761.db2.gz SACXERAVXYIANQ-VXGBXAGGSA-N 1 2 295.387 -1.142 20 0 CAADLO O=C(Cc1ncn[nH]1)N1CC[C@@H]2OCC[NH2+][C@@H]2C1 ZINC001550061297 894525971 /nfs/dbraw/zinc/52/59/71/894525971.db2.gz YTJNSQCKUSCEMH-BDAKNGLRSA-N 1 2 251.290 -1.064 20 0 CAADLO CN1C[C@@H](C(=O)N2CC[C@H]([NH+]3CCN(C)CC3)C2)NC1=O ZINC001550005199 894527452 /nfs/dbraw/zinc/52/74/52/894527452.db2.gz SACXERAVXYIANQ-RYUDHWBXSA-N 1 2 295.387 -1.142 20 0 CAADLO CN1C(=O)NC[C@H]1C(=O)NCC[N@@H+]1CCC2(C1)OCCO2 ZINC001550327447 894532724 /nfs/dbraw/zinc/53/27/24/894532724.db2.gz CKHIKYLZYCKEAA-JTQLQIEISA-N 1 2 298.343 -1.425 20 0 CAADLO CN1C(=O)NC[C@H]1C(=O)NCC[N@H+]1CCC2(C1)OCCO2 ZINC001550327447 894532730 /nfs/dbraw/zinc/53/27/30/894532730.db2.gz CKHIKYLZYCKEAA-JTQLQIEISA-N 1 2 298.343 -1.425 20 0 CAADLO CN1C(=O)NC[C@@H]1C(=O)NCC[N@@H+]1CCC2(C1)OCCO2 ZINC001550327448 894532980 /nfs/dbraw/zinc/53/29/80/894532980.db2.gz CKHIKYLZYCKEAA-SNVBAGLBSA-N 1 2 298.343 -1.425 20 0 CAADLO CN1C(=O)NC[C@@H]1C(=O)NCC[N@H+]1CCC2(C1)OCCO2 ZINC001550327448 894532988 /nfs/dbraw/zinc/53/29/88/894532988.db2.gz CKHIKYLZYCKEAA-SNVBAGLBSA-N 1 2 298.343 -1.425 20 0 CAADLO O=C(NCC[N@@H+]1CCC2(C1)OCCO2)[C@H]1CNC(=O)C1 ZINC001550401233 894533122 /nfs/dbraw/zinc/53/31/22/894533122.db2.gz IOQTWTUJSQKRRN-SNVBAGLBSA-N 1 2 283.328 -1.313 20 0 CAADLO O=C(NCC[N@H+]1CCC2(C1)OCCO2)[C@H]1CNC(=O)C1 ZINC001550401233 894533130 /nfs/dbraw/zinc/53/31/30/894533130.db2.gz IOQTWTUJSQKRRN-SNVBAGLBSA-N 1 2 283.328 -1.313 20 0 CAADLO NC(=O)[C@H]1C[C@H]1C(=O)NCC[N@@H+]1CCC2(C1)OCCO2 ZINC001550401113 894534238 /nfs/dbraw/zinc/53/42/38/894534238.db2.gz FILOCWYRQTWTGX-VHSXEESVSA-N 1 2 283.328 -1.327 20 0 CAADLO NC(=O)[C@H]1C[C@H]1C(=O)NCC[N@H+]1CCC2(C1)OCCO2 ZINC001550401113 894534254 /nfs/dbraw/zinc/53/42/54/894534254.db2.gz FILOCWYRQTWTGX-VHSXEESVSA-N 1 2 283.328 -1.327 20 0 CAADLO O=C(NCC[N@@H+]1CCC2(C1)OCCO2)[C@@H]1CNC(=O)C1 ZINC001550401232 894534454 /nfs/dbraw/zinc/53/44/54/894534454.db2.gz IOQTWTUJSQKRRN-JTQLQIEISA-N 1 2 283.328 -1.313 20 0 CAADLO O=C(NCC[N@H+]1CCC2(C1)OCCO2)[C@@H]1CNC(=O)C1 ZINC001550401232 894534460 /nfs/dbraw/zinc/53/44/60/894534460.db2.gz IOQTWTUJSQKRRN-JTQLQIEISA-N 1 2 283.328 -1.313 20 0 CAADLO C[C@@H](C(=O)NCC[N@@H+]1CCC2(C1)OCCO2)n1cnnn1 ZINC001550859858 894536489 /nfs/dbraw/zinc/53/64/89/894536489.db2.gz LDQXLOJDWRFLEQ-JTQLQIEISA-N 1 2 296.331 -1.201 20 0 CAADLO C[C@@H](C(=O)NCC[N@H+]1CCC2(C1)OCCO2)n1cnnn1 ZINC001550859858 894536501 /nfs/dbraw/zinc/53/65/01/894536501.db2.gz LDQXLOJDWRFLEQ-JTQLQIEISA-N 1 2 296.331 -1.201 20 0 CAADLO NC(=O)[C@@H]1C[C@H]1C(=O)N1CCO[C@@H](C[NH+]2CCOCC2)C1 ZINC001550412181 894538226 /nfs/dbraw/zinc/53/82/26/894538226.db2.gz CUUYSEGEBZHOCC-QJPTWQEYSA-N 1 2 297.355 -1.333 20 0 CAADLO CNC(=O)[C@]12C[N@H+](Cn3ncn(C)c3=O)C[C@H]1COCC2 ZINC001551406279 894538366 /nfs/dbraw/zinc/53/83/66/894538366.db2.gz CBLSDZMHPYKGDJ-GXFFZTMASA-N 1 2 295.343 -1.376 20 0 CAADLO CNC(=O)[C@]12C[N@@H+](Cn3ncn(C)c3=O)C[C@H]1COCC2 ZINC001551406279 894538382 /nfs/dbraw/zinc/53/83/82/894538382.db2.gz CBLSDZMHPYKGDJ-GXFFZTMASA-N 1 2 295.343 -1.376 20 0 CAADLO CNC(=O)[C@@]12C[N@H+](Cc3nnn(C)n3)C[C@@H]1COCC2 ZINC001551418286 894540549 /nfs/dbraw/zinc/54/05/49/894540549.db2.gz DPMDZGRRHYFHFD-SKDRFNHKSA-N 1 2 280.332 -1.205 20 0 CAADLO CNC(=O)[C@@]12C[N@@H+](Cc3nnn(C)n3)C[C@@H]1COCC2 ZINC001551418286 894540557 /nfs/dbraw/zinc/54/05/57/894540557.db2.gz DPMDZGRRHYFHFD-SKDRFNHKSA-N 1 2 280.332 -1.205 20 0 CAADLO CNC(=O)CNC(=O)[C@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001553063824 894558893 /nfs/dbraw/zinc/55/88/93/894558893.db2.gz XVRRDPVVDYCEDF-GHMZBOCLSA-N 1 2 285.344 -1.272 20 0 CAADLO O=C(NC1=NCC(=O)N1)[C@H]1CC[C@@H](C[NH+]2CCOCC2)O1 ZINC001553191709 894559950 /nfs/dbraw/zinc/55/99/50/894559950.db2.gz ALSFLFOERIGQKH-VHSXEESVSA-N 1 2 296.327 -1.532 20 0 CAADLO O=C(N[C@@H]1CNC(=O)C1)[C@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001553131990 894560311 /nfs/dbraw/zinc/56/03/11/894560311.db2.gz GSFDBDYYEXYRBF-QJPTWQEYSA-N 1 2 297.355 -1.129 20 0 CAADLO CN(CC(N)=O)C(=O)[C@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001553067804 894560356 /nfs/dbraw/zinc/56/03/56/894560356.db2.gz DSMQPGVIMPVVMB-GHMZBOCLSA-N 1 2 285.344 -1.190 20 0 CAADLO NC(=O)CCNC(=O)[C@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001553114704 894561184 /nfs/dbraw/zinc/56/11/84/894561184.db2.gz PDHVKAKVWLXQRQ-GHMZBOCLSA-N 1 2 285.344 -1.142 20 0 CAADLO NC(=O)[C@@H]1CCN1C(=O)[C@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001553638048 894567710 /nfs/dbraw/zinc/56/77/10/894567710.db2.gz ISRDDEYREFNDMP-GRYCIOLGSA-N 1 2 297.355 -1.048 20 0 CAADLO NC(=O)[C@@H]1CCN1C(=O)[C@H]1CC[C@@H](C[NH+]2CCOCC2)O1 ZINC001553638050 894568999 /nfs/dbraw/zinc/56/89/99/894568999.db2.gz ISRDDEYREFNDMP-SDDRHHMPSA-N 1 2 297.355 -1.048 20 0 CAADLO O=C(Cn1cc[nH+]c1)N1CC[C@H]2OCC(=O)N[C@@H]2C1 ZINC001556920084 894585124 /nfs/dbraw/zinc/58/51/24/894585124.db2.gz BUUSVZRCEAIKQB-NXEZZACHSA-N 1 2 264.285 -1.001 20 0 CAADLO C[C@@H]1C[N@H+](CCO)CCN1C(=O)c1cnnn1C ZINC001557001329 894592319 /nfs/dbraw/zinc/59/23/19/894592319.db2.gz WQIWIZOCSRLVPO-SECBINFHSA-N 1 2 253.306 -1.046 20 0 CAADLO C[C@@H]1C[N@@H+](CCO)CCN1C(=O)c1cnnn1C ZINC001557001329 894592322 /nfs/dbraw/zinc/59/23/22/894592322.db2.gz WQIWIZOCSRLVPO-SECBINFHSA-N 1 2 253.306 -1.046 20 0 CAADLO C[C@H]1C[N@H+](CCO)CCN1C(=O)c1ncn(C)n1 ZINC001557002006 894593020 /nfs/dbraw/zinc/59/30/20/894593020.db2.gz TWWIIGGQPNIKRC-VIFPVBQESA-N 1 2 253.306 -1.046 20 0 CAADLO C[C@H]1C[N@@H+](CCO)CCN1C(=O)c1ncn(C)n1 ZINC001557002006 894593031 /nfs/dbraw/zinc/59/30/31/894593031.db2.gz TWWIIGGQPNIKRC-VIFPVBQESA-N 1 2 253.306 -1.046 20 0 CAADLO C[C@@H]1C[N@H+](CCO)CCN1C(=O)c1cnn(C)n1 ZINC001557001863 894593316 /nfs/dbraw/zinc/59/33/16/894593316.db2.gz NZESLZBJPJRMEY-SECBINFHSA-N 1 2 253.306 -1.046 20 0 CAADLO C[C@@H]1C[N@@H+](CCO)CCN1C(=O)c1cnn(C)n1 ZINC001557001863 894593336 /nfs/dbraw/zinc/59/33/36/894593336.db2.gz NZESLZBJPJRMEY-SECBINFHSA-N 1 2 253.306 -1.046 20 0 CAADLO NC(=O)N[C@H](CO)C(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC001557151518 894595125 /nfs/dbraw/zinc/59/51/25/894595125.db2.gz QZDSJEGNNCSJKI-VXNVDRBHSA-N 1 2 267.289 -1.657 20 0 CAADLO O=C(CN1C(=O)CNC1=O)N1CC[NH2+][C@H](c2cn[nH]c2)C1 ZINC001557830845 894609047 /nfs/dbraw/zinc/60/90/47/894609047.db2.gz AEEJLPUJTYBUQD-VIFPVBQESA-N 1 2 292.299 -1.566 20 0 CAADLO CC(=O)N[C@@H](CC(=O)NCc1c[nH+]cn1C)C(N)=O ZINC001558002776 894609059 /nfs/dbraw/zinc/60/90/59/894609059.db2.gz WOXLHUYAFFFRQN-VIFPVBQESA-N 1 2 267.289 -1.584 20 0 CAADLO Cn1c[nH+]cc1CNC(=O)CN1C(=O)CNC1=O ZINC001558005958 894609244 /nfs/dbraw/zinc/60/92/44/894609244.db2.gz HUSHGKAKZPIYLR-UHFFFAOYSA-N 1 2 251.246 -1.412 20 0 CAADLO NC(=O)NC1(C(=O)N[C@H](CO)Cc2c[nH]c[nH+]2)CC1 ZINC001558026766 894613864 /nfs/dbraw/zinc/61/38/64/894613864.db2.gz JMHOBFJXHPYJAJ-QMMMGPOBSA-N 1 2 267.289 -1.370 20 0 CAADLO NC(=O)NC1(C(=O)N[C@H](CO)Cc2c[nH+]c[nH]2)CC1 ZINC001558026766 894613872 /nfs/dbraw/zinc/61/38/72/894613872.db2.gz JMHOBFJXHPYJAJ-QMMMGPOBSA-N 1 2 267.289 -1.370 20 0 CAADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@]1(C)CCNC1=O ZINC001558163879 894616086 /nfs/dbraw/zinc/61/60/86/894616086.db2.gz KWBCAHKFESBMRP-ZANVPECISA-N 1 2 293.327 -1.291 20 0 CAADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@]1(C)CCNC1=O ZINC001558163879 894616097 /nfs/dbraw/zinc/61/60/97/894616097.db2.gz KWBCAHKFESBMRP-ZANVPECISA-N 1 2 293.327 -1.291 20 0 CAADLO C[NH+]1CCN(C(=O)CC[N@@H+]2CCO[C@@H](C(=O)[O-])C2)CC1 ZINC001610950593 970801782 /nfs/dbraw/zinc/80/17/82/970801782.db2.gz HHNXVGRCCUKRTF-LLVKDONJSA-N 1 2 285.344 -1.064 20 0 CAADLO C[NH+]1CCN(C(=O)CC[N@H+]2CCO[C@@H](C(=O)[O-])C2)CC1 ZINC001610950593 970801789 /nfs/dbraw/zinc/80/17/89/970801789.db2.gz HHNXVGRCCUKRTF-LLVKDONJSA-N 1 2 285.344 -1.064 20 0 CAADLO C[NH+]1CCN(C(=O)C[N@@H+]2C[C@H](O)C[C@@H](C(=O)[O-])C2)CC1 ZINC000401900157 973505321 /nfs/dbraw/zinc/50/53/21/973505321.db2.gz DYJNWERESNQLIU-GHMZBOCLSA-N 1 2 285.344 -1.472 20 0 CAADLO C[NH+]1CCN(C(=O)C[N@H+]2C[C@H](O)C[C@@H](C(=O)[O-])C2)CC1 ZINC000401900157 973505329 /nfs/dbraw/zinc/50/53/29/973505329.db2.gz DYJNWERESNQLIU-GHMZBOCLSA-N 1 2 285.344 -1.472 20 0 CAADLO C[NH+]1CCN(C(=O)C[N@@H+]2C[C@@H](O)C[C@H](C(=O)[O-])C2)CC1 ZINC000401900164 973505445 /nfs/dbraw/zinc/50/54/45/973505445.db2.gz DYJNWERESNQLIU-QWRGUYRKSA-N 1 2 285.344 -1.472 20 0 CAADLO C[NH+]1CCN(C(=O)C[N@H+]2C[C@@H](O)C[C@H](C(=O)[O-])C2)CC1 ZINC000401900164 973505455 /nfs/dbraw/zinc/50/54/55/973505455.db2.gz DYJNWERESNQLIU-QWRGUYRKSA-N 1 2 285.344 -1.472 20 0 CAADLO COCC[N@H+](C)C[C@H](O)C[NH2+][C@]1(C(=O)[O-])CCOC1 ZINC001604584423 973676337 /nfs/dbraw/zinc/67/63/37/973676337.db2.gz QAFVANHRKCHMDY-ZYHUDNBSSA-N 1 2 276.333 -1.241 20 0 CAADLO COCC[N@@H+](C)C[C@H](O)C[NH2+][C@]1(C(=O)[O-])CCOC1 ZINC001604584423 973676343 /nfs/dbraw/zinc/67/63/43/973676343.db2.gz QAFVANHRKCHMDY-ZYHUDNBSSA-N 1 2 276.333 -1.241 20 0 CAADLO C[NH+](C)CCN(CC(=O)[O-])C(=O)[C@@H](O)c1c[nH+]c[nH]1 ZINC001604058530 974596826 /nfs/dbraw/zinc/59/68/26/974596826.db2.gz SIASLIOTVPXWSB-JTQLQIEISA-N 1 2 270.289 -1.082 20 0 CAADLO CCOCC[NH+]1CCN(C(=O)[C@@H]([NH3+])CC(=O)[O-])CC1 ZINC001596929133 986011300 /nfs/dbraw/zinc/01/13/00/986011300.db2.gz OOOOYJDIFFKAND-JTQLQIEISA-N 1 2 273.333 -1.031 20 0 CAADLO C[NH+](C)CC(=O)N1CC[NH+]([C@@]2(C(=O)[O-])CCOC2)CC1 ZINC001598196744 990802225 /nfs/dbraw/zinc/80/22/25/990802225.db2.gz JUYJMEPRTYSSSK-ZDUSSCGKSA-N 1 2 285.344 -1.064 20 0 CAADLO C[NH+](C)CCN1CC[N@H+](C[C@](C)(O)C(=O)[O-])CC1=O ZINC001598230459 990933171 /nfs/dbraw/zinc/93/31/71/990933171.db2.gz BQOPXBZLRXRCES-LBPRGKRZSA-N 1 2 273.333 -1.472 20 0 CAADLO C[NH+](C)CCN1CC[N@@H+](C[C@](C)(O)C(=O)[O-])CC1=O ZINC001598230459 990933173 /nfs/dbraw/zinc/93/31/73/990933173.db2.gz BQOPXBZLRXRCES-LBPRGKRZSA-N 1 2 273.333 -1.472 20 0 CAADLO CN1CC(=O)N(CC[N@@H+]2CCC[NH2+]C[C@H]2C(=O)[O-])C1=O ZINC001598560754 993084750 /nfs/dbraw/zinc/08/47/50/993084750.db2.gz RRHZXJCWOMIOHW-VIFPVBQESA-N 1 2 284.316 -1.371 20 0 CAADLO CN1CC(=O)N(CC[N@H+]2CCC[NH2+]C[C@H]2C(=O)[O-])C1=O ZINC001598560754 993084757 /nfs/dbraw/zinc/08/47/57/993084757.db2.gz RRHZXJCWOMIOHW-VIFPVBQESA-N 1 2 284.316 -1.371 20 0 CAADLO CN1CC(=O)N(CC[N@@H+]2CCC[NH2+]C[C@@H]2C(=O)[O-])C1=O ZINC001598560753 993084881 /nfs/dbraw/zinc/08/48/81/993084881.db2.gz RRHZXJCWOMIOHW-SECBINFHSA-N 1 2 284.316 -1.371 20 0 CAADLO CN1CC(=O)N(CC[N@H+]2CCC[NH2+]C[C@@H]2C(=O)[O-])C1=O ZINC001598560753 993084888 /nfs/dbraw/zinc/08/48/88/993084888.db2.gz RRHZXJCWOMIOHW-SECBINFHSA-N 1 2 284.316 -1.371 20 0 CAADLO C[N@@H+]1CCO[C@@H](C(=O)N2CC[NH+](C)C[C@@H](C(=O)[O-])C2)C1 ZINC001598604954 993631059 /nfs/dbraw/zinc/63/10/59/993631059.db2.gz BUMUVSIJVADHOW-GHMZBOCLSA-N 1 2 285.344 -1.208 20 0 CAADLO C[N@H+]1CCO[C@@H](C(=O)N2CC[NH+](C)C[C@@H](C(=O)[O-])C2)C1 ZINC001598604954 993631066 /nfs/dbraw/zinc/63/10/66/993631066.db2.gz BUMUVSIJVADHOW-GHMZBOCLSA-N 1 2 285.344 -1.208 20 0 CAADLO C[NH+]1CCO[C@@H](C(=O)N2CC[N@H+](C)C[C@@H](C(=O)[O-])C2)C1 ZINC001598604954 993631071 /nfs/dbraw/zinc/63/10/71/993631071.db2.gz BUMUVSIJVADHOW-GHMZBOCLSA-N 1 2 285.344 -1.208 20 0 CAADLO C[NH+]1CCO[C@@H](C(=O)N2CC[N@@H+](C)C[C@@H](C(=O)[O-])C2)C1 ZINC001598604954 993631075 /nfs/dbraw/zinc/63/10/75/993631075.db2.gz BUMUVSIJVADHOW-GHMZBOCLSA-N 1 2 285.344 -1.208 20 0 CAADLO C[N@@H+]1CCO[C@H](C(=O)N2CC[NH+](C)C[C@@H](C(=O)[O-])C2)C1 ZINC001598604955 993631458 /nfs/dbraw/zinc/63/14/58/993631458.db2.gz BUMUVSIJVADHOW-MNOVXSKESA-N 1 2 285.344 -1.208 20 0 CAADLO C[N@H+]1CCO[C@H](C(=O)N2CC[NH+](C)C[C@@H](C(=O)[O-])C2)C1 ZINC001598604955 993631462 /nfs/dbraw/zinc/63/14/62/993631462.db2.gz BUMUVSIJVADHOW-MNOVXSKESA-N 1 2 285.344 -1.208 20 0 CAADLO C[NH+]1CCO[C@H](C(=O)N2CC[N@H+](C)C[C@@H](C(=O)[O-])C2)C1 ZINC001598604955 993631471 /nfs/dbraw/zinc/63/14/71/993631471.db2.gz BUMUVSIJVADHOW-MNOVXSKESA-N 1 2 285.344 -1.208 20 0 CAADLO C[NH+]1CCO[C@H](C(=O)N2CC[N@@H+](C)C[C@@H](C(=O)[O-])C2)C1 ZINC001598604955 993631473 /nfs/dbraw/zinc/63/14/73/993631473.db2.gz BUMUVSIJVADHOW-MNOVXSKESA-N 1 2 285.344 -1.208 20 0 CAADLO C[N@H+](CC(=O)N1CC[NH+](C)CC1)C[C@](C)(O)C(=O)[O-] ZINC001598605071 993634942 /nfs/dbraw/zinc/63/49/42/993634942.db2.gz VSOGLQOZPBBRKA-LBPRGKRZSA-N 1 2 273.333 -1.472 20 0 CAADLO C[N@@H+](CC(=O)N1CC[NH+](C)CC1)C[C@](C)(O)C(=O)[O-] ZINC001598605071 993634948 /nfs/dbraw/zinc/63/49/48/993634948.db2.gz VSOGLQOZPBBRKA-LBPRGKRZSA-N 1 2 273.333 -1.472 20 0 CAADLO C[N@@H+]1CCO[C@@H](C(=O)N2CC[NH+](CC(=O)[O-])CC2)C1 ZINC001598625680 994086437 /nfs/dbraw/zinc/08/64/37/994086437.db2.gz MLHQENDAOZZRGG-SNVBAGLBSA-N 1 2 271.317 -1.454 20 0 CAADLO C[N@H+]1CCO[C@@H](C(=O)N2CC[NH+](CC(=O)[O-])CC2)C1 ZINC001598625680 994086450 /nfs/dbraw/zinc/08/64/50/994086450.db2.gz MLHQENDAOZZRGG-SNVBAGLBSA-N 1 2 271.317 -1.454 20 0 CAADLO CNS(=O)(=O)CCC[N@H+]1CCC[NH2+]C[C@H]1C(=O)[O-] ZINC001598670888 994755505 /nfs/dbraw/zinc/75/55/05/994755505.db2.gz KMRDTTIZTMATQR-VIFPVBQESA-N 1 2 279.362 -1.326 20 0 CAADLO CNS(=O)(=O)CCC[N@@H+]1CCC[NH2+]C[C@H]1C(=O)[O-] ZINC001598670888 994755495 /nfs/dbraw/zinc/75/54/95/994755495.db2.gz KMRDTTIZTMATQR-VIFPVBQESA-N 1 2 279.362 -1.326 20 0 CAADLO O=C(C[N@H+]1CC[C@](O)(C(F)(F)F)C1)N1CCNC(=O)C1 ZINC000081048083 230162076 /nfs/dbraw/zinc/16/20/76/230162076.db2.gz IMKLJGVWFSPJAP-SNVBAGLBSA-N 1 2 295.261 -1.056 20 0 CAADLO O=C(C[N@@H+]1CC[C@](O)(C(F)(F)F)C1)N1CCNC(=O)C1 ZINC000081048083 230162080 /nfs/dbraw/zinc/16/20/80/230162080.db2.gz IMKLJGVWFSPJAP-SNVBAGLBSA-N 1 2 295.261 -1.056 20 0 CAADLO C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)CO)CC1 ZINC000089422932 230164512 /nfs/dbraw/zinc/16/45/12/230164512.db2.gz NWPMDAOHMCBZKL-SECBINFHSA-N 1 2 255.318 -1.210 20 0 CAADLO Cn1cc[nH+]c1CN1CCN(CC(=O)NC(N)=O)CC1 ZINC000105930890 230170649 /nfs/dbraw/zinc/17/06/49/230170649.db2.gz WEMFLNWBRDCSSW-UHFFFAOYSA-N 1 2 280.332 -1.267 20 0 CAADLO Cn1c(N)c(C(=O)C[N@@H+]2CCC[C@H]2CO)c(=O)n(C)c1=O ZINC000118401174 230171431 /nfs/dbraw/zinc/17/14/31/230171431.db2.gz ZLHWBFJNANHDEL-QMMMGPOBSA-N 1 2 296.327 -1.694 20 0 CAADLO C[C@H](C(=O)N(C)CC(=O)NC1CC1)[N@@H+]1CCNC(=O)CC1 ZINC000126173570 230176600 /nfs/dbraw/zinc/17/66/00/230176600.db2.gz NUGAUKQGGYXHFL-SNVBAGLBSA-N 1 2 296.371 -1.066 20 0 CAADLO C[C@H](C(=O)N(C)CC(=O)NC1CC1)[N@H+]1CCNC(=O)CC1 ZINC000126173570 230176602 /nfs/dbraw/zinc/17/66/02/230176602.db2.gz NUGAUKQGGYXHFL-SNVBAGLBSA-N 1 2 296.371 -1.066 20 0 CAADLO C[C@H](NC(=O)[C@H]1COCC[NH2+]1)C(=O)N1CCOCC1 ZINC000135267730 230177926 /nfs/dbraw/zinc/17/79/26/230177926.db2.gz MBMRIRGRBDPSTQ-VHSXEESVSA-N 1 2 271.317 -1.662 20 0 CAADLO C[C@H](C(=O)N(C)C)[NH+]1CCN(C(=O)[C@H](C)O)CC1 ZINC000152949518 230180429 /nfs/dbraw/zinc/18/04/29/230180429.db2.gz WATTXMMLRDKCGA-ZJUUUORDSA-N 1 2 257.334 -1.012 20 0 CAADLO C[C@H]1CO[C@@H](CO)C[N@@H+]1CC(=O)N1CCNC1=O ZINC000168602005 230185924 /nfs/dbraw/zinc/18/59/24/230185924.db2.gz WPUSVQMMSDHNJC-DTWKUNHWSA-N 1 2 257.290 -1.380 20 0 CAADLO C[C@H]1CO[C@@H](CO)C[N@H+]1CC(=O)N1CCNC1=O ZINC000168602005 230185930 /nfs/dbraw/zinc/18/59/30/230185930.db2.gz WPUSVQMMSDHNJC-DTWKUNHWSA-N 1 2 257.290 -1.380 20 0 CAADLO COC[C@@H]1C[N@H+](CCNS(C)(=O)=O)CCO1 ZINC000172878337 230190059 /nfs/dbraw/zinc/19/00/59/230190059.db2.gz BRJJJWKGLISXKB-VIFPVBQESA-N 1 2 252.336 -1.117 20 0 CAADLO COC[C@@H]1C[N@@H+](CCNS(C)(=O)=O)CCO1 ZINC000172878337 230190062 /nfs/dbraw/zinc/19/00/62/230190062.db2.gz BRJJJWKGLISXKB-VIFPVBQESA-N 1 2 252.336 -1.117 20 0 CAADLO Cn1cc(N2CC[NH+](CC(=O)NC(N)=O)CC2)cn1 ZINC000174909695 230190392 /nfs/dbraw/zinc/19/03/92/230190392.db2.gz AXILEAYHCGNNOR-UHFFFAOYSA-N 1 2 266.305 -1.263 20 0 CAADLO COCCCS(=O)(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000179053690 230193879 /nfs/dbraw/zinc/19/38/79/230193879.db2.gz AGMXQOQHYIEXRB-LLVKDONJSA-N 1 2 277.390 -1.058 20 0 CAADLO COCCN(C)S(=O)(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000179053451 230195113 /nfs/dbraw/zinc/19/51/13/230195113.db2.gz BFLRQSSBJIUWLN-LLVKDONJSA-N 1 2 292.405 -1.601 20 0 CAADLO O=C(Cn1cn[nH]c1=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000188837051 230203578 /nfs/dbraw/zinc/20/35/78/230203578.db2.gz WEBOYMXHGWBFDV-SECBINFHSA-N 1 2 266.305 -2.313 20 0 CAADLO C[C@@H]1C(=O)NCC[N@H+]1CC(O)CN1CCNC(=O)[C@@H]1C ZINC000181797961 230198083 /nfs/dbraw/zinc/19/80/83/230198083.db2.gz GITXNJJOUCYYFR-ZACCUICWSA-N 1 2 284.360 -2.012 20 0 CAADLO C[C@@H]1C(=O)NCC[N@@H+]1CC(O)CN1CCNC(=O)[C@@H]1C ZINC000181797961 230198084 /nfs/dbraw/zinc/19/80/84/230198084.db2.gz GITXNJJOUCYYFR-ZACCUICWSA-N 1 2 284.360 -2.012 20 0 CAADLO C[C@@H]1C(=O)NCCN1CC(O)C[N@@H+]1CCNC(=O)[C@@H]1C ZINC000181797961 230198089 /nfs/dbraw/zinc/19/80/89/230198089.db2.gz GITXNJJOUCYYFR-ZACCUICWSA-N 1 2 284.360 -2.012 20 0 CAADLO C[C@@H]1C(=O)NCCN1CC(O)C[N@H+]1CCNC(=O)[C@@H]1C ZINC000181797961 230198093 /nfs/dbraw/zinc/19/80/93/230198093.db2.gz GITXNJJOUCYYFR-ZACCUICWSA-N 1 2 284.360 -2.012 20 0 CAADLO O=C(NC1C[NH+](C[C@H](O)CN2CCOCC2)C1)C1CC1 ZINC000187983033 230204612 /nfs/dbraw/zinc/20/46/12/230204612.db2.gz CFKCYMDCJSXEBG-CYBMUJFWSA-N 1 2 283.372 -1.110 20 0 CAADLO C[C@@H]1C(=O)N(C)CCN1C[C@H](O)C[NH+]1CCOCC1 ZINC000187037861 230204967 /nfs/dbraw/zinc/20/49/67/230204967.db2.gz DQHOJGBBLLAUAB-VXGBXAGGSA-N 1 2 271.361 -1.158 20 0 CAADLO C[C@@H]1C(=O)N(C)CC[N@H+]1C[C@H](O)CN1CCOCC1 ZINC000187037861 230204972 /nfs/dbraw/zinc/20/49/72/230204972.db2.gz DQHOJGBBLLAUAB-VXGBXAGGSA-N 1 2 271.361 -1.158 20 0 CAADLO C[C@@H]1C(=O)N(C)CC[N@@H+]1C[C@H](O)CN1CCOCC1 ZINC000187037861 230204976 /nfs/dbraw/zinc/20/49/76/230204976.db2.gz DQHOJGBBLLAUAB-VXGBXAGGSA-N 1 2 271.361 -1.158 20 0 CAADLO O=C1NC[C@@H]2C[N@H+](CCOCC(F)F)CCN2C1=O ZINC000189563660 230205828 /nfs/dbraw/zinc/20/58/28/230205828.db2.gz BDEQNXHOSWASQG-MRVPVSSYSA-N 1 2 277.271 -1.089 20 0 CAADLO O=C1NC[C@@H]2C[N@@H+](CCOCC(F)F)CCN2C1=O ZINC000189563660 230205832 /nfs/dbraw/zinc/20/58/32/230205832.db2.gz BDEQNXHOSWASQG-MRVPVSSYSA-N 1 2 277.271 -1.089 20 0 CAADLO C[NH+](C)CCNC(=O)c1c[nH]c2nc(=O)[nH]c(=O)c-2c1 ZINC000194337004 230211166 /nfs/dbraw/zinc/21/11/66/230211166.db2.gz SGMRLJDPVYDCFC-UHFFFAOYSA-N 1 2 277.284 -1.097 20 0 CAADLO C[C@H](C[NH+]1CCOCC1)NC(=O)N1CCNC(=O)C1 ZINC000194458176 230211563 /nfs/dbraw/zinc/21/15/63/230211563.db2.gz RXSANJALNNUQCO-SNVBAGLBSA-N 1 2 270.333 -1.152 20 0 CAADLO NC(=O)NC(=O)CCNC(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000262695527 230230709 /nfs/dbraw/zinc/23/07/09/230230709.db2.gz BCTTZBWSFIOZKX-RXMQYKEDSA-N 1 2 264.232 -1.315 20 0 CAADLO C[C@H](CO)NC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000343173463 230239465 /nfs/dbraw/zinc/23/94/65/230239465.db2.gz MIEKZMNMTMUMMC-VXGBXAGGSA-N 1 2 299.371 -1.336 20 0 CAADLO NS(=O)(=O)C[C@@H]1CCC[N@@H+]1CC(=O)N1CCNC1=O ZINC000358424821 230245772 /nfs/dbraw/zinc/24/57/72/230245772.db2.gz IVKJRCBUKKOKLP-QMMMGPOBSA-N 1 2 290.345 -1.709 20 0 CAADLO NS(=O)(=O)C[C@@H]1CCC[N@H+]1CC(=O)N1CCNC1=O ZINC000358424821 230245777 /nfs/dbraw/zinc/24/57/77/230245777.db2.gz IVKJRCBUKKOKLP-QMMMGPOBSA-N 1 2 290.345 -1.709 20 0 CAADLO C[C@@H]1COCCN(C(=O)C(=O)NC[C@@H]2C[N@H+](C)CCO2)C1 ZINC000358164741 230242451 /nfs/dbraw/zinc/24/24/51/230242451.db2.gz JABRGGGIAYDSDT-NWDGAFQWSA-N 1 2 299.371 -1.072 20 0 CAADLO C[C@@H]1COCCN(C(=O)C(=O)NC[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000358164741 230242455 /nfs/dbraw/zinc/24/24/55/230242455.db2.gz JABRGGGIAYDSDT-NWDGAFQWSA-N 1 2 299.371 -1.072 20 0 CAADLO COCC[N@H+](CCCS(N)(=O)=O)CC(=O)OC ZINC000358455379 230245157 /nfs/dbraw/zinc/24/51/57/230245157.db2.gz XYJYZQVBVUMXOF-UHFFFAOYSA-N 1 2 268.335 -1.214 20 0 CAADLO COCC[N@@H+](CCCS(N)(=O)=O)CC(=O)OC ZINC000358455379 230245162 /nfs/dbraw/zinc/24/51/62/230245162.db2.gz XYJYZQVBVUMXOF-UHFFFAOYSA-N 1 2 268.335 -1.214 20 0 CAADLO COCCN1CCCN(C(=O)[C@H]2COCC[NH2+]2)CC1=O ZINC000424175362 230278483 /nfs/dbraw/zinc/27/84/83/230278483.db2.gz PYGCCOWDSVLEFO-LLVKDONJSA-N 1 2 285.344 -1.318 20 0 CAADLO O=C(CC(=O)N[C@@H](CO)C[NH+]1CCOCC1)NCC1CC1 ZINC000425298665 230287075 /nfs/dbraw/zinc/28/70/75/230287075.db2.gz XHFDGHHZFXPTRT-GFCCVEGCSA-N 1 2 299.371 -1.288 20 0 CAADLO O=C(N[C@H](CO)C[NH+]1CCOCC1)[C@H]1CCCC(=O)N1 ZINC000425295071 230285783 /nfs/dbraw/zinc/28/57/83/230285783.db2.gz OKGBZPHEEKSEGJ-WDEREUQCSA-N 1 2 285.344 -1.536 20 0 CAADLO Cc1c[nH+]c(N(C)CC(N)=O)nc1N(C)CC(N)=O ZINC000428115487 230292367 /nfs/dbraw/zinc/29/23/67/230292367.db2.gz MSRCCGCWHRFCLZ-UHFFFAOYSA-N 1 2 266.305 -1.372 20 0 CAADLO Cn1nccc1CNC(=O)CN1CC[NH2+]CC1=O ZINC000429682782 230299472 /nfs/dbraw/zinc/29/94/72/230299472.db2.gz ZXDZVYXETLGSBA-UHFFFAOYSA-N 1 2 251.290 -1.532 20 0 CAADLO C[C@H](Cn1cncn1)NC(=O)CN1CC[NH2+]CC1=O ZINC000429688563 230299782 /nfs/dbraw/zinc/29/97/82/230299782.db2.gz XGHOYZNLZRYMRI-SECBINFHSA-N 1 2 266.305 -1.785 20 0 CAADLO Cn1cc(NC(=O)CN2CC[NH2+]CC2=O)ccc1=O ZINC000429972418 230301624 /nfs/dbraw/zinc/30/16/24/230301624.db2.gz GMDWLJSVSZITSJ-UHFFFAOYSA-N 1 2 264.285 -1.244 20 0 CAADLO O=C(CN1CC[NH2+]CC1=O)N1CCC[C@]2(CNC(=O)C2)C1 ZINC000429982692 230303371 /nfs/dbraw/zinc/30/33/71/230303371.db2.gz DLYPTTRZJPGMIL-AWEZNQCLSA-N 1 2 294.355 -1.453 20 0 CAADLO COC[C@H]1CN(C(=O)CN2CC[NH2+]CC2=O)CCO1 ZINC000430403860 230304272 /nfs/dbraw/zinc/30/42/72/230304272.db2.gz BFQFZJRWYPVFLB-SNVBAGLBSA-N 1 2 271.317 -1.708 20 0 CAADLO C[C@]1(CNC(=O)CN2CC[NH2+]CC2=O)CCOC1 ZINC000430545840 230306925 /nfs/dbraw/zinc/30/69/25/230306925.db2.gz WHVXCKMSFHBTOQ-GFCCVEGCSA-N 1 2 255.318 -1.039 20 0 CAADLO C[C@H](Cn1cc[nH+]c1)NC(=O)CN1CCNCC1=O ZINC000430677256 230309147 /nfs/dbraw/zinc/30/91/47/230309147.db2.gz FZDBNMWUQJOPPS-SNVBAGLBSA-N 1 2 265.317 -1.180 20 0 CAADLO C[C@H](Cn1ccnc1)NC(=O)CN1CC[NH2+]CC1=O ZINC000430677256 230309152 /nfs/dbraw/zinc/30/91/52/230309152.db2.gz FZDBNMWUQJOPPS-SNVBAGLBSA-N 1 2 265.317 -1.180 20 0 CAADLO O=C(NCC1([NH+]2CCOCC2)CC1)NC(CO)CO ZINC000434458798 230316944 /nfs/dbraw/zinc/31/69/44/230316944.db2.gz HJGURFFQSDXZFG-UHFFFAOYSA-N 1 2 273.333 -1.496 20 0 CAADLO O=S(=O)([C@H]1CCOC1)N1CC[NH+](CCO)CC1 ZINC000443094035 230331437 /nfs/dbraw/zinc/33/14/37/230331437.db2.gz BICRXDNGVHCQMS-JTQLQIEISA-N 1 2 264.347 -1.285 20 0 CAADLO COCCCS(=O)(=O)NCC[NH+]1C[C@H](O)[C@@H](O)C1 ZINC000444702607 230338382 /nfs/dbraw/zinc/33/83/82/230338382.db2.gz INQJAHAJUPBOKP-UWVGGRQHSA-N 1 2 282.362 -2.020 20 0 CAADLO COC[C@H](C)NC(=O)NC(=O)C[N@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000444700741 230336660 /nfs/dbraw/zinc/33/66/60/230336660.db2.gz GVCHMCPJBBYAJF-XHNCKOQMSA-N 1 2 275.305 -2.116 20 0 CAADLO COC[C@H](C)NC(=O)NC(=O)C[N@@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000444700741 230336665 /nfs/dbraw/zinc/33/66/65/230336665.db2.gz GVCHMCPJBBYAJF-XHNCKOQMSA-N 1 2 275.305 -2.116 20 0 CAADLO COC[C@H](C)NC(=O)NC(=O)C[NH+]1C[C@@H](O)[C@H](O)C1 ZINC000444700736 230337251 /nfs/dbraw/zinc/33/72/51/230337251.db2.gz GVCHMCPJBBYAJF-DJLDLDEBSA-N 1 2 275.305 -2.116 20 0 CAADLO O=S(=O)(NC[C@@H]1C[NH+]2CCN1CC2)N1CCOCC1 ZINC000446923173 230339228 /nfs/dbraw/zinc/33/92/28/230339228.db2.gz RUMLDGPQNKOBHU-LLVKDONJSA-N 1 2 290.389 -1.847 20 0 CAADLO CC[C@H](Nc1nc(NCCO)[nH+]c(NC(C)C)n1)[C@@H](C)O ZINC000450805219 529455230 /nfs/dbraw/zinc/45/52/30/529455230.db2.gz ZQANYWKFDJGUBL-ZJUUUORDSA-N 1 2 298.391 -1.067 20 0 CAADLO CC[C@H](Nc1nc(NC(C)C)nc(NCCO)[nH+]1)[C@@H](C)O ZINC000450805219 529455233 /nfs/dbraw/zinc/45/52/33/529455233.db2.gz ZQANYWKFDJGUBL-ZJUUUORDSA-N 1 2 298.391 -1.067 20 0 CAADLO CC[C@H](Nc1nc(NCCO)nc(NC(C)C)[nH+]1)[C@@H](C)O ZINC000450805219 529455235 /nfs/dbraw/zinc/45/52/35/529455235.db2.gz ZQANYWKFDJGUBL-ZJUUUORDSA-N 1 2 298.391 -1.067 20 0 CAADLO C[C@H](C(=O)N[C@@H]1CN(C)NC1=O)[NH+]1CCSCC1 ZINC000450611203 230346114 /nfs/dbraw/zinc/34/61/14/230346114.db2.gz OPWDTLJGJKDDBM-RKDXNWHRSA-N 1 2 272.374 -1.115 20 0 CAADLO C[C@@H](O)C[NH+]1CCN(C(=O)C(=O)N2CCO[C@H](C)C2)CC1 ZINC000459905801 230352199 /nfs/dbraw/zinc/35/21/99/230352199.db2.gz VZFCCXXXHWPOMF-VXGBXAGGSA-N 1 2 299.371 -1.241 20 0 CAADLO C[C@H](O)C[NH+]1CCN(C(=O)C(=O)N2CCO[C@H](C)C2)CC1 ZINC000459905798 230352387 /nfs/dbraw/zinc/35/23/87/230352387.db2.gz VZFCCXXXHWPOMF-NWDGAFQWSA-N 1 2 299.371 -1.241 20 0 CAADLO O=C(CO)N1CC[C@@H](OCC[NH+]2CCOCC2)C1 ZINC000478994046 230353756 /nfs/dbraw/zinc/35/37/56/230353756.db2.gz WASBPUOFZUUSBR-LLVKDONJSA-N 1 2 258.318 -1.072 20 0 CAADLO COC[C@@H](C)C(=O)N[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]1O ZINC001191756318 781920920 /nfs/dbraw/zinc/92/09/20/781920920.db2.gz RZGMNEWWYUBYSD-GMTAPVOTSA-N 1 2 287.360 -1.482 20 0 CAADLO COC[C@@H](C)C(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1O ZINC001191756318 781920926 /nfs/dbraw/zinc/92/09/26/781920926.db2.gz RZGMNEWWYUBYSD-GMTAPVOTSA-N 1 2 287.360 -1.482 20 0 CAADLO CC[C@@H](CO)[NH+]1CCN(S(=O)(=O)NC)CC1 ZINC000429257385 529510255 /nfs/dbraw/zinc/51/02/55/529510255.db2.gz CZEZHYSPBZGKAW-VIFPVBQESA-N 1 2 251.352 -1.161 20 0 CAADLO C[C@H](O)C[NH+]1CCN(S(=O)(=O)NC2CC2)CC1 ZINC000491908344 230362043 /nfs/dbraw/zinc/36/20/43/230362043.db2.gz DXELYBNWXPQIFU-VIFPVBQESA-N 1 2 263.363 -1.018 20 0 CAADLO NS(=O)(=O)N1CCN(C(=O)/C=C/c2[nH]cc[nH+]2)CC1 ZINC000493363691 230363181 /nfs/dbraw/zinc/36/31/81/230363181.db2.gz ZACOEMHIUMFLNR-OWOJBTEDSA-N 1 2 285.329 -1.229 20 0 CAADLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)[C@@H]1COC(=O)N1 ZINC000495795169 230364229 /nfs/dbraw/zinc/36/42/29/230364229.db2.gz XBXJSKCCBLUDNM-ZJUUUORDSA-N 1 2 270.333 -1.153 20 0 CAADLO CC[C@H](OC)C(=O)NCC(=O)NCC[NH+]1CCOCC1 ZINC000347906423 529713368 /nfs/dbraw/zinc/71/33/68/529713368.db2.gz WHFWIUOVCLOGIU-NSHDSACASA-N 1 2 287.360 -1.024 20 0 CAADLO CCC(=O)NCC(=O)N[C@@H]1C[N@H+](CCF)C[C@H]1O ZINC001191864688 781922591 /nfs/dbraw/zinc/92/25/91/781922591.db2.gz PQZXLKXNQXWMPZ-RKDXNWHRSA-N 1 2 261.297 -1.357 20 0 CAADLO CCC(=O)NCC(=O)N[C@@H]1C[N@@H+](CCF)C[C@H]1O ZINC001191864688 781922595 /nfs/dbraw/zinc/92/25/95/781922595.db2.gz PQZXLKXNQXWMPZ-RKDXNWHRSA-N 1 2 261.297 -1.357 20 0 CAADLO C[N@@H+]1CCO[C@@H](C(=O)N2CCN(CCO)CC2)C1 ZINC000154942213 529781380 /nfs/dbraw/zinc/78/13/80/529781380.db2.gz RMQVXEKYQZMKDE-LLVKDONJSA-N 1 2 257.334 -1.547 20 0 CAADLO C[N@H+]1CCO[C@@H](C(=O)N2CCN(CCO)CC2)C1 ZINC000154942213 529781381 /nfs/dbraw/zinc/78/13/81/529781381.db2.gz RMQVXEKYQZMKDE-LLVKDONJSA-N 1 2 257.334 -1.547 20 0 CAADLO C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N2CCCOCC2)C1 ZINC000332013017 529783199 /nfs/dbraw/zinc/78/31/99/529783199.db2.gz PKMNXICFTAMSCF-NSHDSACASA-N 1 2 285.344 -1.318 20 0 CAADLO C[N@H+]1CCO[C@@H](CNC(=O)C(=O)N2CCCOCC2)C1 ZINC000332013017 529783201 /nfs/dbraw/zinc/78/32/01/529783201.db2.gz PKMNXICFTAMSCF-NSHDSACASA-N 1 2 285.344 -1.318 20 0 CAADLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)C3(CO)COC3)C[C@H]21 ZINC000329175817 529784729 /nfs/dbraw/zinc/78/47/29/529784729.db2.gz LPLZUJDXJOAKPV-GHMZBOCLSA-N 1 2 270.329 -1.073 20 0 CAADLO C[N@H+]1CCO[C@@H]2CCN(C(=O)C3(CO)COC3)C[C@H]21 ZINC000329175817 529784730 /nfs/dbraw/zinc/78/47/30/529784730.db2.gz LPLZUJDXJOAKPV-GHMZBOCLSA-N 1 2 270.329 -1.073 20 0 CAADLO C[N@@H+]1CCO[C@@H]2CN(C(=O)Cn3cnnn3)C[C@@H]21 ZINC000151940450 529785810 /nfs/dbraw/zinc/78/58/10/529785810.db2.gz QKVGWZHKNDQPTQ-DTWKUNHWSA-N 1 2 252.278 -1.786 20 0 CAADLO C[N@H+]1CCO[C@@H]2CN(C(=O)Cn3cnnn3)C[C@@H]21 ZINC000151940450 529785812 /nfs/dbraw/zinc/78/58/12/529785812.db2.gz QKVGWZHKNDQPTQ-DTWKUNHWSA-N 1 2 252.278 -1.786 20 0 CAADLO C[N@@H+]1CCO[C@@H]2CN(C(=O)[C@H]3COCCO3)C[C@H]21 ZINC000329980684 529786290 /nfs/dbraw/zinc/78/62/90/529786290.db2.gz LVBOIEGCPWAGAE-GMTAPVOTSA-N 1 2 256.302 -1.057 20 0 CAADLO C[N@H+]1CCO[C@@H]2CN(C(=O)[C@H]3COCCO3)C[C@H]21 ZINC000329980684 529786291 /nfs/dbraw/zinc/78/62/91/529786291.db2.gz LVBOIEGCPWAGAE-GMTAPVOTSA-N 1 2 256.302 -1.057 20 0 CAADLO CN1CC[C@@H](NC(=O)NCC[NH+]2CCOCC2)C1=O ZINC000172345128 529795369 /nfs/dbraw/zinc/79/53/69/529795369.db2.gz WRFJYXWNBLCGIN-SNVBAGLBSA-N 1 2 270.333 -1.152 20 0 CAADLO CN1CC[C@H](NC(=O)NCC[NH+]2CCOCC2)C1=O ZINC000172345124 529805630 /nfs/dbraw/zinc/80/56/30/529805630.db2.gz WRFJYXWNBLCGIN-JTQLQIEISA-N 1 2 270.333 -1.152 20 0 CAADLO CN1C[C@@H](NC(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)C(=O)N1 ZINC000450620729 529820990 /nfs/dbraw/zinc/82/09/90/529820990.db2.gz VXERRLLYGUNZLY-NEPJUHHUSA-N 1 2 296.371 -1.051 20 0 CAADLO CN1C[C@@H](NC(=O)[C@@H]2COCC[N@H+]2CC2CCC2)C(=O)N1 ZINC000450620729 529820991 /nfs/dbraw/zinc/82/09/91/529820991.db2.gz VXERRLLYGUNZLY-NEPJUHHUSA-N 1 2 296.371 -1.051 20 0 CAADLO CN1N=C(C(=O)NC[C@H]2C[NH+]3CCN2CC3)CCC1=O ZINC000178605533 529831121 /nfs/dbraw/zinc/83/11/21/529831121.db2.gz BWUTUVRJUBUHBJ-JTQLQIEISA-N 1 2 279.344 -1.289 20 0 CAADLO CN1C[C@H](C(=O)NC[C@H]2C[N@H+](C)CCO2)CC1=O ZINC000194620585 529824726 /nfs/dbraw/zinc/82/47/26/529824726.db2.gz NGQIBBLYFLRSFF-ZJUUUORDSA-N 1 2 255.318 -1.089 20 0 CAADLO CN1C[C@H](C(=O)NC[C@H]2C[N@@H+](C)CCO2)CC1=O ZINC000194620585 529824728 /nfs/dbraw/zinc/82/47/28/529824728.db2.gz NGQIBBLYFLRSFF-ZJUUUORDSA-N 1 2 255.318 -1.089 20 0 CAADLO CN(CC(=O)N1CCC1)C[C@@H](O)C[NH+]1CCOCC1 ZINC000332991856 529826889 /nfs/dbraw/zinc/82/68/89/529826889.db2.gz BLJHLJUUFNHNMU-GFCCVEGCSA-N 1 2 271.361 -1.156 20 0 CAADLO CN(CC(=O)N1CCNC(=O)C1)Cc1[nH+]ccn1C ZINC000162002719 529827952 /nfs/dbraw/zinc/82/79/52/529827952.db2.gz SRELPTMQMHAQJR-UHFFFAOYSA-N 1 2 265.317 -1.190 20 0 CAADLO CN1CC[C@@H]([N@H+](C)CC(=O)N2CCNC2=O)C1=O ZINC000329072532 529828078 /nfs/dbraw/zinc/82/80/78/529828078.db2.gz OHAWQELUZVNYHB-MRVPVSSYSA-N 1 2 254.290 -1.095 20 0 CAADLO CN1CC[C@@H]([N@@H+](C)CC(=O)N2CCNC2=O)C1=O ZINC000329072532 529828079 /nfs/dbraw/zinc/82/80/79/529828079.db2.gz OHAWQELUZVNYHB-MRVPVSSYSA-N 1 2 254.290 -1.095 20 0 CAADLO CN1CC[C@H]([N@H+](C)CC(=O)N2CCNC2=O)C1=O ZINC000329072534 529828184 /nfs/dbraw/zinc/82/81/84/529828184.db2.gz OHAWQELUZVNYHB-QMMMGPOBSA-N 1 2 254.290 -1.095 20 0 CAADLO CN1CC[C@H]([N@@H+](C)CC(=O)N2CCNC2=O)C1=O ZINC000329072534 529828185 /nfs/dbraw/zinc/82/81/85/529828185.db2.gz OHAWQELUZVNYHB-QMMMGPOBSA-N 1 2 254.290 -1.095 20 0 CAADLO CN(CC(=O)N1CCOCC1)C(=O)CN1CC[NH2+]CC1=O ZINC000430198505 529828582 /nfs/dbraw/zinc/82/85/82/529828582.db2.gz YXPFCBNDIHJFLD-UHFFFAOYSA-N 1 2 298.343 -2.265 20 0 CAADLO CN1C[C@H](NC(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)C(=O)N1 ZINC000450620731 529828906 /nfs/dbraw/zinc/82/89/06/529828906.db2.gz VXERRLLYGUNZLY-RYUDHWBXSA-N 1 2 296.371 -1.051 20 0 CAADLO CN1C[C@H](NC(=O)[C@@H]2COCC[N@H+]2CC2CCC2)C(=O)N1 ZINC000450620731 529828908 /nfs/dbraw/zinc/82/89/08/529828908.db2.gz VXERRLLYGUNZLY-RYUDHWBXSA-N 1 2 296.371 -1.051 20 0 CAADLO CN1C[C@@H](C(=O)NCC[NH+]2CCOCC2)CC1=O ZINC000046121283 529816515 /nfs/dbraw/zinc/81/65/15/529816515.db2.gz XZGWCXZZUBLCCB-JTQLQIEISA-N 1 2 255.318 -1.087 20 0 CAADLO CN1C[C@@H](C(=O)NC[C@H]2C[N@H+](C)CCO2)CC1=O ZINC000253359801 529816678 /nfs/dbraw/zinc/81/66/78/529816678.db2.gz NGQIBBLYFLRSFF-UWVGGRQHSA-N 1 2 255.318 -1.089 20 0 CAADLO CN1C[C@@H](C(=O)NC[C@H]2C[N@@H+](C)CCO2)CC1=O ZINC000253359801 529816680 /nfs/dbraw/zinc/81/66/80/529816680.db2.gz NGQIBBLYFLRSFF-UWVGGRQHSA-N 1 2 255.318 -1.089 20 0 CAADLO CN1C[C@@H](C[NH+]2CCN(C(=O)CO)CC2)OC1=O ZINC000496087009 529817314 /nfs/dbraw/zinc/81/73/14/529817314.db2.gz NZLKDNXKJORSAT-VIFPVBQESA-N 1 2 257.290 -1.427 20 0 CAADLO CNC(=O)C1(C(=O)NCCC[N@@H+]2CCNC(=O)C2)CC1 ZINC000344652645 529840599 /nfs/dbraw/zinc/84/05/99/529840599.db2.gz DXRZNPNVULYIMQ-UHFFFAOYSA-N 1 2 282.344 -1.549 20 0 CAADLO CNC(=O)C1(C(=O)NCCC[N@H+]2CCNC(=O)C2)CC1 ZINC000344652645 529840600 /nfs/dbraw/zinc/84/06/00/529840600.db2.gz DXRZNPNVULYIMQ-UHFFFAOYSA-N 1 2 282.344 -1.549 20 0 CAADLO CNC(=O)C1(C(=O)NC[C@H]2C[NH+]3CCN2CC3)CC1 ZINC000178731839 529840710 /nfs/dbraw/zinc/84/07/10/529840710.db2.gz VTSBJJBVXDZYSP-JTQLQIEISA-N 1 2 266.345 -1.371 20 0 CAADLO CNC(=O)C1CN(C(=O)C[N@H+](C)CC(=O)NC(C)C)C1 ZINC000332065734 529843083 /nfs/dbraw/zinc/84/30/83/529843083.db2.gz RPZWULONXQTSBY-UHFFFAOYSA-N 1 2 284.360 -1.353 20 0 CAADLO CNC(=O)C1CN(C(=O)C[N@@H+](C)CC(=O)NC(C)C)C1 ZINC000332065734 529843084 /nfs/dbraw/zinc/84/30/84/529843084.db2.gz RPZWULONXQTSBY-UHFFFAOYSA-N 1 2 284.360 -1.353 20 0 CAADLO CNC(=O)CC(=O)N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000331055282 529844593 /nfs/dbraw/zinc/84/45/93/529844593.db2.gz KPOAHGHKGHOEMF-UHFFFAOYSA-N 1 2 296.371 -1.111 20 0 CAADLO CNC(=O)CC(=O)N1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1 ZINC000332138529 529844597 /nfs/dbraw/zinc/84/45/97/529844597.db2.gz GIACAYLGLMULMN-SNVBAGLBSA-N 1 2 296.371 -1.066 20 0 CAADLO C[N@H+](CC(=O)NC(N)=O)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000428782383 529831517 /nfs/dbraw/zinc/83/15/17/529831517.db2.gz TZAICZRQAZBZKI-SSDOTTSWSA-N 1 2 278.334 -1.853 20 0 CAADLO C[N@@H+](CC(=O)NC(N)=O)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000428782383 529831518 /nfs/dbraw/zinc/83/15/18/529831518.db2.gz TZAICZRQAZBZKI-SSDOTTSWSA-N 1 2 278.334 -1.853 20 0 CAADLO C[N@H+](CC(=O)NCCCN1CCCC1=O)[C@@H]1COC[C@@H]1O ZINC000352794296 529834083 /nfs/dbraw/zinc/83/40/83/529834083.db2.gz AHEILRXUEIRVQY-NEPJUHHUSA-N 1 2 299.371 -1.193 20 0 CAADLO C[N@@H+](CC(=O)NCCCN1CCCC1=O)[C@@H]1COC[C@@H]1O ZINC000352794296 529834086 /nfs/dbraw/zinc/83/40/86/529834086.db2.gz AHEILRXUEIRVQY-NEPJUHHUSA-N 1 2 299.371 -1.193 20 0 CAADLO CNC(=O)C[NH+]1CCN(c2cncc(OCCO)n2)CC1 ZINC000358845888 529863562 /nfs/dbraw/zinc/86/35/62/529863562.db2.gz PFYKYAZNBOBLDB-UHFFFAOYSA-N 1 2 295.343 -1.284 20 0 CAADLO CNC(=O)CNC(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000487534230 529863895 /nfs/dbraw/zinc/86/38/95/529863895.db2.gz HOHWPPVCDBZRNK-JTQLQIEISA-N 1 2 270.333 -1.105 20 0 CAADLO CNC(=O)CNC(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000487534230 529863896 /nfs/dbraw/zinc/86/38/96/529863896.db2.gz HOHWPPVCDBZRNK-JTQLQIEISA-N 1 2 270.333 -1.105 20 0 CAADLO Cn1c2[nH]c(C[N@H+](C)CCC(N)=O)nc2c(=O)n(C)c1=O ZINC000353216738 529875336 /nfs/dbraw/zinc/87/53/36/529875336.db2.gz VFFBGBGEWANCBK-UHFFFAOYSA-N 1 2 294.315 -1.733 20 0 CAADLO Cn1c2[nH]c(C[N@@H+](C)CCC(N)=O)nc2c(=O)n(C)c1=O ZINC000353216738 529875338 /nfs/dbraw/zinc/87/53/38/529875338.db2.gz VFFBGBGEWANCBK-UHFFFAOYSA-N 1 2 294.315 -1.733 20 0 CAADLO CNC(=O)NC(=O)CC[N@@H+]1C[C@H](O)C[C@H]1C(=O)OC ZINC000252788239 529879132 /nfs/dbraw/zinc/87/91/32/529879132.db2.gz WWTUFVNNPPHDJV-SFYZADRCSA-N 1 2 273.289 -1.560 20 0 CAADLO CNC(=O)NC(=O)CC[N@H+]1C[C@H](O)C[C@H]1C(=O)OC ZINC000252788239 529879133 /nfs/dbraw/zinc/87/91/33/529879133.db2.gz WWTUFVNNPPHDJV-SFYZADRCSA-N 1 2 273.289 -1.560 20 0 CAADLO CNC(=O)NC(=O)C[N@H+](CCNS(C)(=O)=O)C1CC1 ZINC000331760355 529879464 /nfs/dbraw/zinc/87/94/64/529879464.db2.gz GGLIOGZWTRYGHK-UHFFFAOYSA-N 1 2 292.361 -1.544 20 0 CAADLO CNC(=O)NC(=O)C[N@@H+](CCNS(C)(=O)=O)C1CC1 ZINC000331760355 529879465 /nfs/dbraw/zinc/87/94/65/529879465.db2.gz GGLIOGZWTRYGHK-UHFFFAOYSA-N 1 2 292.361 -1.544 20 0 CAADLO CNC(=O)NC(=O)C[N@H+](CCOC)[C@H](C)C(N)=O ZINC000358355401 529879603 /nfs/dbraw/zinc/87/96/03/529879603.db2.gz NFZSIGAZTGUBFV-SSDOTTSWSA-N 1 2 260.294 -1.736 20 0 CAADLO CNC(=O)NC(=O)C[N@@H+](CCOC)[C@H](C)C(N)=O ZINC000358355401 529879604 /nfs/dbraw/zinc/87/96/04/529879604.db2.gz NFZSIGAZTGUBFV-SSDOTTSWSA-N 1 2 260.294 -1.736 20 0 CAADLO CNC(=O)NC(=O)C[N@H+](C)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000428778732 529879679 /nfs/dbraw/zinc/87/96/79/529879679.db2.gz MTCYCQZCHQIUSG-QMMMGPOBSA-N 1 2 292.361 -1.592 20 0 CAADLO CNC(=O)NC(=O)C[N@@H+](C)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000428778732 529879681 /nfs/dbraw/zinc/87/96/81/529879681.db2.gz MTCYCQZCHQIUSG-QMMMGPOBSA-N 1 2 292.361 -1.592 20 0 CAADLO CNC(=O)NC1CN(C(=O)NCC[NH+]2CCOCC2)C1 ZINC000331840186 529883181 /nfs/dbraw/zinc/88/31/81/529883181.db2.gz GHXYMTGUCNIXLN-UHFFFAOYSA-N 1 2 285.348 -1.359 20 0 CAADLO CNC(=O)NCC(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000434390104 529884624 /nfs/dbraw/zinc/88/46/24/529884624.db2.gz KHLOSJSSTNNDDN-UHFFFAOYSA-N 1 2 270.333 -1.104 20 0 CAADLO Cn1c2[nH]c(C[N@H+](C)CCO)nc2c(=O)n(C)c1=O ZINC000120393894 529920551 /nfs/dbraw/zinc/92/05/51/529920551.db2.gz OUFWJGMZUPBBBP-UHFFFAOYSA-N 1 2 267.289 -1.616 20 0 CAADLO Cn1c2[nH]c(C[N@@H+](C)CCO)nc2c(=O)n(C)c1=O ZINC000120393894 529920553 /nfs/dbraw/zinc/92/05/53/529920553.db2.gz OUFWJGMZUPBBBP-UHFFFAOYSA-N 1 2 267.289 -1.616 20 0 CAADLO CNC(=O)[C@H]1CCCC[N@@H+]1CC(=O)N1CCNC(=O)C1 ZINC000104670433 529921291 /nfs/dbraw/zinc/92/12/91/529921291.db2.gz AAOWREQIRZSUKC-SNVBAGLBSA-N 1 2 282.344 -1.455 20 0 CAADLO CNC(=O)[C@H]1CCCC[N@H+]1CC(=O)N1CCNC(=O)C1 ZINC000104670433 529921293 /nfs/dbraw/zinc/92/12/93/529921293.db2.gz AAOWREQIRZSUKC-SNVBAGLBSA-N 1 2 282.344 -1.455 20 0 CAADLO CNC(=O)[C@@H]1C[N@H+](C[C@@H]2CN(C)C(=O)O2)CCO1 ZINC000495733189 529910040 /nfs/dbraw/zinc/91/00/40/529910040.db2.gz ZLVKIQPFHHRDFO-IUCAKERBSA-N 1 2 257.290 -1.116 20 0 CAADLO CNC(=O)[C@@H]1C[N@@H+](C[C@@H]2CN(C)C(=O)O2)CCO1 ZINC000495733189 529910041 /nfs/dbraw/zinc/91/00/41/529910041.db2.gz ZLVKIQPFHHRDFO-IUCAKERBSA-N 1 2 257.290 -1.116 20 0 CAADLO CNC(=O)[C@@H]1C[N@H+](C[C@H]2CN(C)C(=O)O2)CCO1 ZINC000495733187 529910044 /nfs/dbraw/zinc/91/00/44/529910044.db2.gz ZLVKIQPFHHRDFO-BDAKNGLRSA-N 1 2 257.290 -1.116 20 0 CAADLO CNC(=O)[C@@H]1C[N@@H+](C[C@H]2CN(C)C(=O)O2)CCO1 ZINC000495733187 529910046 /nfs/dbraw/zinc/91/00/46/529910046.db2.gz ZLVKIQPFHHRDFO-BDAKNGLRSA-N 1 2 257.290 -1.116 20 0 CAADLO CN(CC[NH+]1CCOCC1)C(=O)C1(NC(N)=O)CC1 ZINC000331903318 529910679 /nfs/dbraw/zinc/91/06/79/529910679.db2.gz SONYMDUJQQXUQA-UHFFFAOYSA-N 1 2 270.333 -1.022 20 0 CAADLO CN(CC[NH+]1CCOCC1)C(=O)Cn1ncn(C)c1=O ZINC000181413342 529911061 /nfs/dbraw/zinc/91/10/61/529911061.db2.gz CCAYCOZGYJZKSM-UHFFFAOYSA-N 1 2 283.332 -1.628 20 0 CAADLO CN(CC[NH+]1CCOCC1)C(=O)Cn1cn[nH]c1=O ZINC000133632440 529911150 /nfs/dbraw/zinc/91/11/50/529911150.db2.gz BQIMXGVNCBARRR-UHFFFAOYSA-N 1 2 269.305 -1.638 20 0 CAADLO CN(CC[NH+]1CCOCC1)Cc1nc(N)nc(N)n1 ZINC000114463949 529911572 /nfs/dbraw/zinc/91/15/72/529911572.db2.gz ZMTKPWMWRFEQRE-UHFFFAOYSA-N 1 2 267.337 -1.200 20 0 CAADLO CNC(=O)[C@H](C)NC(=O)NCC[NH+]1CCOCC1 ZINC000487535111 529914560 /nfs/dbraw/zinc/91/45/60/529914560.db2.gz HXLFRWUISXKQLC-VIFPVBQESA-N 1 2 258.322 -1.248 20 0 CAADLO CNC(=O)[C@H]1CCC[N@@H+]1CC(=O)N1CCNC1=O ZINC000097267802 529924382 /nfs/dbraw/zinc/92/43/82/529924382.db2.gz FUWUOEZBZKOOBW-MRVPVSSYSA-N 1 2 254.290 -1.251 20 0 CAADLO CNC(=O)[C@H]1CCC[N@H+]1CC(=O)N1CCNC1=O ZINC000097267802 529924384 /nfs/dbraw/zinc/92/43/84/529924384.db2.gz FUWUOEZBZKOOBW-MRVPVSSYSA-N 1 2 254.290 -1.251 20 0 CAADLO CNC(=O)[C@H]1C[N@H+](C[C@@H]2CN(C)C(=O)O2)CCO1 ZINC000495733188 529928697 /nfs/dbraw/zinc/92/86/97/529928697.db2.gz ZLVKIQPFHHRDFO-DTWKUNHWSA-N 1 2 257.290 -1.116 20 0 CAADLO CNC(=O)[C@H]1C[N@@H+](C[C@@H]2CN(C)C(=O)O2)CCO1 ZINC000495733188 529928698 /nfs/dbraw/zinc/92/86/98/529928698.db2.gz ZLVKIQPFHHRDFO-DTWKUNHWSA-N 1 2 257.290 -1.116 20 0 CAADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)CN1CCCC1=O ZINC000332559432 529941882 /nfs/dbraw/zinc/94/18/82/529941882.db2.gz NQNYIHUAOZWUSV-GFCCVEGCSA-N 1 2 299.371 -1.240 20 0 CAADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@@H]1COC(=O)N1 ZINC000496771844 529959935 /nfs/dbraw/zinc/95/99/35/529959935.db2.gz DDDSZSPHWKBEGB-UWVGGRQHSA-N 1 2 287.316 -1.754 20 0 CAADLO CN(Cc1cc[nH]n1)C(=O)CN1CC[NH2+]CC1=O ZINC000430706055 529981573 /nfs/dbraw/zinc/98/15/73/529981573.db2.gz CHKUEDWPCXAYRJ-UHFFFAOYSA-N 1 2 251.290 -1.200 20 0 CAADLO CNS(=O)(=O)CC(=O)NC[C@H]1CC[NH2+]CC1(F)F ZINC000424180184 530014048 /nfs/dbraw/zinc/01/40/48/530014048.db2.gz VBFSTPIINHHVOB-SSDOTTSWSA-N 1 2 285.316 -1.103 20 0 CAADLO CNS(=O)(=O)CCNC(=O)NCCn1cc[nH+]c1 ZINC000438871442 530016660 /nfs/dbraw/zinc/01/66/60/530016660.db2.gz FUYOBAWWPMGKAP-UHFFFAOYSA-N 1 2 275.334 -1.269 20 0 CAADLO C[C@H](C(=O)N(C)C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC(N)=O)C1 ZINC001191987158 781924783 /nfs/dbraw/zinc/92/47/83/781924783.db2.gz HSOABKBXKWIHTI-IWSPIJDZSA-N 1 2 286.332 -2.500 20 0 CAADLO C[C@H](C(=O)N(C)C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CC(N)=O)C1 ZINC001191987158 781924793 /nfs/dbraw/zinc/92/47/93/781924793.db2.gz HSOABKBXKWIHTI-IWSPIJDZSA-N 1 2 286.332 -2.500 20 0 CAADLO NC(=O)CC(=O)N[C@@H]1C[N@H+](Cc2ccns2)C[C@H]1O ZINC001191987900 781924666 /nfs/dbraw/zinc/92/46/66/781924666.db2.gz NLBLNQMKEXFLLR-RKDXNWHRSA-N 1 2 284.341 -1.320 20 0 CAADLO NC(=O)CC(=O)N[C@@H]1C[N@@H+](Cc2ccns2)C[C@H]1O ZINC001191987900 781924677 /nfs/dbraw/zinc/92/46/77/781924677.db2.gz NLBLNQMKEXFLLR-RKDXNWHRSA-N 1 2 284.341 -1.320 20 0 CAADLO CN1C(=O)CC[C@H](NC(=O)NCC[NH+]2CCOCC2)C1=O ZINC000333260074 530042070 /nfs/dbraw/zinc/04/20/70/530042070.db2.gz ISISUDSVXRLJEM-JTQLQIEISA-N 1 2 298.343 -1.235 20 0 CAADLO CN1CCCN(C[C@H](O)C[NH+]2CCOCC2)CC1=O ZINC000191096248 530054126 /nfs/dbraw/zinc/05/41/26/530054126.db2.gz YEZVIQWJHVXZRV-GFCCVEGCSA-N 1 2 271.361 -1.156 20 0 CAADLO C[NH+]1CCN(C(=O)C(=O)N2C[C@H](CO)OC(C)(C)C2)CC1 ZINC000422116373 530066532 /nfs/dbraw/zinc/06/65/32/530066532.db2.gz OCAIOPPIQJPPKX-LLVKDONJSA-N 1 2 299.371 -1.241 20 0 CAADLO C[NH+]1CCN(C(=O)CN2CCS(=O)CC2)CC1 ZINC000180487963 530068098 /nfs/dbraw/zinc/06/80/98/530068098.db2.gz QALFLNHPUOQMEX-UHFFFAOYSA-N 1 2 259.375 -1.175 20 0 CAADLO CN1CC[N@H+](C)[C@H](CNC(=O)CN2CCN(C)C(=O)C2)C1 ZINC000333314678 530070953 /nfs/dbraw/zinc/07/09/53/530070953.db2.gz JXLASQDKNVVVJT-GFCCVEGCSA-N 1 2 297.403 -1.878 20 0 CAADLO CN1CC[N@@H+](C)[C@H](CNC(=O)CN2CCN(C)C(=O)C2)C1 ZINC000333314678 530070954 /nfs/dbraw/zinc/07/09/54/530070954.db2.gz JXLASQDKNVVVJT-GFCCVEGCSA-N 1 2 297.403 -1.878 20 0 CAADLO CN1CC[N@H+](C)C[C@H]1CNS(=O)(=O)C1COC1 ZINC000330221647 530071181 /nfs/dbraw/zinc/07/11/81/530071181.db2.gz RGYNXLJUIMHHDU-SECBINFHSA-N 1 2 263.363 -1.450 20 0 CAADLO CN1CC[N@@H+](C)C[C@H]1CNS(=O)(=O)C1COC1 ZINC000330221647 530071182 /nfs/dbraw/zinc/07/11/82/530071182.db2.gz RGYNXLJUIMHHDU-SECBINFHSA-N 1 2 263.363 -1.450 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC(N)=O)C1 ZINC001191987114 781925036 /nfs/dbraw/zinc/92/50/36/781925036.db2.gz FWKZQGHOPGNGNF-BWZBUEFSSA-N 1 2 272.305 -2.842 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CC(N)=O)C1 ZINC001191987114 781925042 /nfs/dbraw/zinc/92/50/42/781925042.db2.gz FWKZQGHOPGNGNF-BWZBUEFSSA-N 1 2 272.305 -2.842 20 0 CAADLO C[C@@H](C(=O)N(C)C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC(N)=O)C1 ZINC001191987157 781925371 /nfs/dbraw/zinc/92/53/71/781925371.db2.gz HSOABKBXKWIHTI-DJLDLDEBSA-N 1 2 286.332 -2.500 20 0 CAADLO C[C@@H](C(=O)N(C)C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CC(N)=O)C1 ZINC001191987157 781925380 /nfs/dbraw/zinc/92/53/80/781925380.db2.gz HSOABKBXKWIHTI-DJLDLDEBSA-N 1 2 286.332 -2.500 20 0 CAADLO C[N@@H+]1CCO[C@H]2CN(C(=O)Cn3cnnn3)C[C@H]21 ZINC000329958088 290117310 /nfs/dbraw/zinc/11/73/10/290117310.db2.gz QKVGWZHKNDQPTQ-BDAKNGLRSA-N 1 2 252.278 -1.786 20 0 CAADLO C[N@H+]1CCO[C@H]2CN(C(=O)Cn3cnnn3)C[C@H]21 ZINC000329958088 290117314 /nfs/dbraw/zinc/11/73/14/290117314.db2.gz QKVGWZHKNDQPTQ-BDAKNGLRSA-N 1 2 252.278 -1.786 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC(N)=O)C1 ZINC001191987115 781925943 /nfs/dbraw/zinc/92/59/43/781925943.db2.gz FWKZQGHOPGNGNF-XLPZGREQSA-N 1 2 272.305 -2.842 20 0 CAADLO CNC(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CC(N)=O)C1 ZINC001191987115 781925949 /nfs/dbraw/zinc/92/59/49/781925949.db2.gz FWKZQGHOPGNGNF-XLPZGREQSA-N 1 2 272.305 -2.842 20 0 CAADLO CNS(=O)(=O)NCC(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000330465769 290778792 /nfs/dbraw/zinc/77/87/92/290778792.db2.gz WDNLFNWYEOCAON-VIFPVBQESA-N 1 2 294.377 -2.123 20 0 CAADLO CNS(=O)(=O)NCC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000330469793 290779116 /nfs/dbraw/zinc/77/91/16/290779116.db2.gz ZNSSDUMRDKJEGN-VIFPVBQESA-N 1 2 294.377 -2.123 20 0 CAADLO Cn1nccc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC(N)=O)C1 ZINC001191968006 781927167 /nfs/dbraw/zinc/92/71/67/781927167.db2.gz XVOMGRIFQLGDTJ-NXEZZACHSA-N 1 2 281.316 -2.043 20 0 CAADLO Cn1nccc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)CC(N)=O)C1 ZINC001191968006 781927177 /nfs/dbraw/zinc/92/71/77/781927177.db2.gz XVOMGRIFQLGDTJ-NXEZZACHSA-N 1 2 281.316 -2.043 20 0 CAADLO Cn1cc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)CC(N)=O)C2)cn1 ZINC001191967830 781927479 /nfs/dbraw/zinc/92/74/79/781927479.db2.gz UIIIPJLNCQEXCT-NXEZZACHSA-N 1 2 281.316 -2.043 20 0 CAADLO Cn1cc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)CC(N)=O)C2)cn1 ZINC001191967830 781927464 /nfs/dbraw/zinc/92/74/64/781927464.db2.gz UIIIPJLNCQEXCT-NXEZZACHSA-N 1 2 281.316 -2.043 20 0 CAADLO NC(=O)CC(=O)N[C@@H]1C[N@@H+](C/C=C/Cl)C[C@H]1O ZINC001191994617 781927745 /nfs/dbraw/zinc/92/77/45/781927745.db2.gz AFAZEACRKLHGTQ-XLNBVVSQSA-N 1 2 261.709 -1.224 20 0 CAADLO NC(=O)CC(=O)N[C@@H]1C[N@H+](C/C=C/Cl)C[C@H]1O ZINC001191994617 781927738 /nfs/dbraw/zinc/92/77/38/781927738.db2.gz AFAZEACRKLHGTQ-XLNBVVSQSA-N 1 2 261.709 -1.224 20 0 CAADLO Cc1ncc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)CC(N)=O)C2)s1 ZINC001191967764 781927772 /nfs/dbraw/zinc/92/77/72/781927772.db2.gz QKYBCYRLMFUDEG-NXEZZACHSA-N 1 2 298.368 -1.012 20 0 CAADLO Cc1ncc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)CC(N)=O)C2)s1 ZINC001191967764 781927778 /nfs/dbraw/zinc/92/77/78/781927778.db2.gz QKYBCYRLMFUDEG-NXEZZACHSA-N 1 2 298.368 -1.012 20 0 CAADLO Cc1nocc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC(N)=O)C1 ZINC001191968013 781928306 /nfs/dbraw/zinc/92/83/06/781928306.db2.gz YGJFBCOGQYPXDZ-NXEZZACHSA-N 1 2 282.300 -1.480 20 0 CAADLO Cc1nocc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)CC(N)=O)C1 ZINC001191968013 781928314 /nfs/dbraw/zinc/92/83/14/781928314.db2.gz YGJFBCOGQYPXDZ-NXEZZACHSA-N 1 2 282.300 -1.480 20 0 CAADLO CCNC(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2CCOC2)C1 ZINC001191959791 781928557 /nfs/dbraw/zinc/92/85/57/781928557.db2.gz HKNIRNWGGYALGL-IJLUTSLNSA-N 1 2 299.371 -1.290 20 0 CAADLO CCNC(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2CCOC2)C1 ZINC001191959791 781928561 /nfs/dbraw/zinc/92/85/61/781928561.db2.gz HKNIRNWGGYALGL-IJLUTSLNSA-N 1 2 299.371 -1.290 20 0 CAADLO O=C(CN1CCOCC1)N[C@H](CO)C[NH+]1CCOCC1 ZINC000673441960 545594976 /nfs/dbraw/zinc/59/49/76/545594976.db2.gz MMMRWNHQPBBKNA-LBPRGKRZSA-N 1 2 287.360 -1.872 20 0 CAADLO C[NH+](C)C[C@H](CO)NC(=O)[C@H]1CCCCS1(=O)=O ZINC000673521297 545595134 /nfs/dbraw/zinc/59/51/34/545595134.db2.gz PWRFNDXDISOLQA-NXEZZACHSA-N 1 2 278.374 -1.008 20 0 CAADLO CCCS(=O)(=O)CC(=O)N[C@@H](CO)C[NH+](C)C ZINC000673523813 545595152 /nfs/dbraw/zinc/59/51/52/545595152.db2.gz LLNRHBBNWIMAMG-SECBINFHSA-N 1 2 266.363 -1.150 20 0 CAADLO C[NH+](C)C[C@@H](CO)NC(=O)CCCS(C)(=O)=O ZINC000673519682 545594937 /nfs/dbraw/zinc/59/49/37/545594937.db2.gz DHTJSPBERACVBL-VIFPVBQESA-N 1 2 266.363 -1.150 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC(N)=O)C1 ZINC001191979781 781929172 /nfs/dbraw/zinc/92/91/72/781929172.db2.gz VVTVPWMXAYKWBS-FSDSQADBSA-N 1 2 258.278 -3.103 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)CC(N)=O)C1 ZINC001191979781 781929184 /nfs/dbraw/zinc/92/91/84/781929184.db2.gz VVTVPWMXAYKWBS-FSDSQADBSA-N 1 2 258.278 -3.103 20 0 CAADLO CNC(=O)CCCC(=O)N[C@@H](CO)C[NH+]1CCOCC1 ZINC000673441814 545595695 /nfs/dbraw/zinc/59/56/95/545595695.db2.gz CCICLCWPKGWCLS-LLVKDONJSA-N 1 2 287.360 -1.288 20 0 CAADLO C[C@@H](C(=O)N[C@@H](CO)C[NH+]1CCCC1)S(C)(=O)=O ZINC000673533805 545595728 /nfs/dbraw/zinc/59/57/28/545595728.db2.gz VQNRHYJNJUXGAT-VHSXEESVSA-N 1 2 278.374 -1.008 20 0 CAADLO Cc1oncc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC(N)=O)C1 ZINC001191977539 781929521 /nfs/dbraw/zinc/92/95/21/781929521.db2.gz FJGVZBRJLTVMFT-NXEZZACHSA-N 1 2 282.300 -1.480 20 0 CAADLO Cc1oncc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)CC(N)=O)C1 ZINC001191977539 781929526 /nfs/dbraw/zinc/92/95/26/781929526.db2.gz FJGVZBRJLTVMFT-NXEZZACHSA-N 1 2 282.300 -1.480 20 0 CAADLO C[C@H](c1cnccn1)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC(N)=O)C1 ZINC001191978547 781929703 /nfs/dbraw/zinc/92/97/03/781929703.db2.gz LGAWHQPJXIDJSG-FBIMIBRVSA-N 1 2 293.327 -1.426 20 0 CAADLO C[C@H](c1cnccn1)[N@H+]1C[C@@H](O)[C@H](NC(=O)CC(N)=O)C1 ZINC001191978547 781929709 /nfs/dbraw/zinc/92/97/09/781929709.db2.gz LGAWHQPJXIDJSG-FBIMIBRVSA-N 1 2 293.327 -1.426 20 0 CAADLO NC(=O)[C@H]1CCC[N@H+]1CC(=O)NCC(=O)N1CCCC1 ZINC000042382605 303329852 /nfs/dbraw/zinc/32/98/52/303329852.db2.gz JAOHGASWZZFATF-SNVBAGLBSA-N 1 2 282.344 -1.325 20 0 CAADLO C[N@H+](CCNS(C)(=O)=O)CCN1CCCS1(=O)=O ZINC000674462886 545597419 /nfs/dbraw/zinc/59/74/19/545597419.db2.gz DYCJKKIAEYPIIH-UHFFFAOYSA-N 1 2 299.418 -1.497 20 0 CAADLO C[N@@H+](CCNS(C)(=O)=O)CCN1CCCS1(=O)=O ZINC000674462886 545597423 /nfs/dbraw/zinc/59/74/23/545597423.db2.gz DYCJKKIAEYPIIH-UHFFFAOYSA-N 1 2 299.418 -1.497 20 0 CAADLO Cc1cc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)CC(N)=O)C2)ncn1 ZINC001191979807 781930486 /nfs/dbraw/zinc/93/04/86/781930486.db2.gz WLJUALZVNVRUFC-GHMZBOCLSA-N 1 2 293.327 -1.678 20 0 CAADLO Cc1cc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)CC(N)=O)C2)ncn1 ZINC001191979807 781930495 /nfs/dbraw/zinc/93/04/95/781930495.db2.gz WLJUALZVNVRUFC-GHMZBOCLSA-N 1 2 293.327 -1.678 20 0 CAADLO CNS(=O)(=O)NCC(=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000672148271 545592124 /nfs/dbraw/zinc/59/21/24/545592124.db2.gz JTZWQPLEQSGHGI-MRVPVSSYSA-N 1 2 287.345 -1.632 20 0 CAADLO C[N@@H+]1CCO[C@@H]2CN(C(=O)[C@@H]3CCC(=O)N3)C[C@@H]21 ZINC000124438465 283006202 /nfs/dbraw/zinc/00/62/02/283006202.db2.gz MIMLKNXJSSZDKI-LPEHRKFASA-N 1 2 253.302 -1.194 20 0 CAADLO C[N@H+]1CCO[C@@H]2CN(C(=O)[C@@H]3CCC(=O)N3)C[C@@H]21 ZINC000124438465 283006203 /nfs/dbraw/zinc/00/62/03/283006203.db2.gz MIMLKNXJSSZDKI-LPEHRKFASA-N 1 2 253.302 -1.194 20 0 CAADLO C[N@@H+]1CCO[C@@H]2CN(C(=O)[C@@H]3COCCO3)C[C@@H]21 ZINC000329709771 283008107 /nfs/dbraw/zinc/00/81/07/283008107.db2.gz LVBOIEGCPWAGAE-AXFHLTTASA-N 1 2 256.302 -1.057 20 0 CAADLO C[N@H+]1CCO[C@@H]2CN(C(=O)[C@@H]3COCCO3)C[C@@H]21 ZINC000329709771 283008108 /nfs/dbraw/zinc/00/81/08/283008108.db2.gz LVBOIEGCPWAGAE-AXFHLTTASA-N 1 2 256.302 -1.057 20 0 CAADLO C[C@@H](NC(=O)C[N@H+]1C[C@H](O)C[C@H](O)C1)C(=O)N(C)C ZINC000674465824 545599215 /nfs/dbraw/zinc/59/92/15/545599215.db2.gz QZFRFOZIEBPRME-BBBLOLIVSA-N 1 2 273.333 -1.993 20 0 CAADLO C[C@@H](NC(=O)C[N@@H+]1C[C@H](O)C[C@H](O)C1)C(=O)N(C)C ZINC000674465824 545599220 /nfs/dbraw/zinc/59/92/20/545599220.db2.gz QZFRFOZIEBPRME-BBBLOLIVSA-N 1 2 273.333 -1.993 20 0 CAADLO O=C(C[N@H+]1C[C@H](O)C[C@H](O)C1)N1CCNC(=O)C1 ZINC000674465653 545599155 /nfs/dbraw/zinc/59/91/55/545599155.db2.gz PEQFMKLYBSLZFV-DTORHVGOSA-N 1 2 257.290 -2.628 20 0 CAADLO O=C(C[N@@H+]1C[C@H](O)C[C@H](O)C1)N1CCNC(=O)C1 ZINC000674465653 545599160 /nfs/dbraw/zinc/59/91/60/545599160.db2.gz PEQFMKLYBSLZFV-DTORHVGOSA-N 1 2 257.290 -2.628 20 0 CAADLO COC(=O)CCNC(=O)C[N@@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000338382341 291041170 /nfs/dbraw/zinc/04/11/70/291041170.db2.gz MCQRQMUFYWUKQJ-AOOOYVTPSA-N 1 2 272.301 -1.235 20 0 CAADLO COC(=O)CCNC(=O)C[N@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000338382341 291041171 /nfs/dbraw/zinc/04/11/71/291041171.db2.gz MCQRQMUFYWUKQJ-AOOOYVTPSA-N 1 2 272.301 -1.235 20 0 CAADLO COC(=O)CCNC(=O)C[N@H+]1C[C@H](C(N)=O)O[C@@H](C)C1 ZINC000347096585 291041176 /nfs/dbraw/zinc/04/11/76/291041176.db2.gz IBDOBSBJRFBNSZ-DTWKUNHWSA-N 1 2 287.316 -1.760 20 0 CAADLO COC(=O)CCNC(=O)C[N@@H+]1C[C@H](C(N)=O)O[C@@H](C)C1 ZINC000347096585 291041177 /nfs/dbraw/zinc/04/11/77/291041177.db2.gz IBDOBSBJRFBNSZ-DTWKUNHWSA-N 1 2 287.316 -1.760 20 0 CAADLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)Cn1cnnn1 ZINC000367728135 291064320 /nfs/dbraw/zinc/06/43/20/291064320.db2.gz RDCZZRLJVZGPNR-WDEREUQCSA-N 1 2 280.332 -1.005 20 0 CAADLO CCC[N@H+](CC(=O)NC)CC(=O)N1CCNC1=O ZINC000120148969 283099750 /nfs/dbraw/zinc/09/97/50/283099750.db2.gz CMNVYGSNWHGRJK-UHFFFAOYSA-N 1 2 256.306 -1.004 20 0 CAADLO CCC[N@@H+](CC(=O)NC)CC(=O)N1CCNC1=O ZINC000120148969 283099754 /nfs/dbraw/zinc/09/97/54/283099754.db2.gz CMNVYGSNWHGRJK-UHFFFAOYSA-N 1 2 256.306 -1.004 20 0 CAADLO CNS(=O)(=O)CC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000676388953 545602527 /nfs/dbraw/zinc/60/25/27/545602527.db2.gz ZUXTXCQYRCEFSE-JTQLQIEISA-N 1 2 291.373 -1.531 20 0 CAADLO COC(=O)CNC(=O)[C@@H](C)[N@H+](C)[C@@H]1CCN(C)C1=O ZINC000265618647 291089654 /nfs/dbraw/zinc/08/96/54/291089654.db2.gz ALZHIMDSDHEFPL-RKDXNWHRSA-N 1 2 271.317 -1.173 20 0 CAADLO COC(=O)CNC(=O)[C@@H](C)[N@@H+](C)[C@@H]1CCN(C)C1=O ZINC000265618647 291089656 /nfs/dbraw/zinc/08/96/56/291089656.db2.gz ALZHIMDSDHEFPL-RKDXNWHRSA-N 1 2 271.317 -1.173 20 0 CAADLO COC(=O)CNC(=O)[C@H](C)[N@H+](C)[C@@H]1CCNC1=O ZINC000340222504 291091268 /nfs/dbraw/zinc/09/12/68/291091268.db2.gz XYGZTIGVVGCSPV-JGVFFNPUSA-N 1 2 257.290 -1.516 20 0 CAADLO COC(=O)CNC(=O)[C@H](C)[N@@H+](C)[C@@H]1CCNC1=O ZINC000340222504 291091271 /nfs/dbraw/zinc/09/12/71/291091271.db2.gz XYGZTIGVVGCSPV-JGVFFNPUSA-N 1 2 257.290 -1.516 20 0 CAADLO CNC(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)/C=C\C2CC2)C1 ZINC001192063612 781934398 /nfs/dbraw/zinc/93/43/98/781934398.db2.gz VJJGRESVWCDBDT-WQMVXFAESA-N 1 2 267.329 -1.140 20 0 CAADLO O=C(CNC(=O)c1ccnnc1)NCC[NH+]1CCOCC1 ZINC000676302905 545602915 /nfs/dbraw/zinc/60/29/15/545602915.db2.gz FCCWVSPTAJADGY-UHFFFAOYSA-N 1 2 293.327 -1.345 20 0 CAADLO CNC(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)/C=C\C2CC2)C1 ZINC001192063612 781934389 /nfs/dbraw/zinc/93/43/89/781934389.db2.gz VJJGRESVWCDBDT-WQMVXFAESA-N 1 2 267.329 -1.140 20 0 CAADLO CNC(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)/C=C/C2CC2)C1 ZINC001192063613 781934532 /nfs/dbraw/zinc/93/45/32/781934532.db2.gz VJJGRESVWCDBDT-XKFHPXPTSA-N 1 2 267.329 -1.140 20 0 CAADLO CNC(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)/C=C/C2CC2)C1 ZINC001192063613 781934543 /nfs/dbraw/zinc/93/45/43/781934543.db2.gz VJJGRESVWCDBDT-XKFHPXPTSA-N 1 2 267.329 -1.140 20 0 CAADLO CN(CC(=O)NC[C@H]1C[NH+]2CCN1CC2)C(=O)C1CC1 ZINC000676587516 545603431 /nfs/dbraw/zinc/60/34/31/545603431.db2.gz IWLJYSUITNQNDY-LBPRGKRZSA-N 1 2 280.372 -1.029 20 0 CAADLO CN1C[C@@H](C[N@@H+]2CCN3C(=O)C(=O)NC[C@H]3C2)OC1=O ZINC000496812737 283193178 /nfs/dbraw/zinc/19/31/78/283193178.db2.gz ULWOHVBXFGQNAQ-IUCAKERBSA-N 1 2 282.300 -1.920 20 0 CAADLO CN1C[C@@H](C[N@H+]2CCN3C(=O)C(=O)NC[C@H]3C2)OC1=O ZINC000496812737 283193181 /nfs/dbraw/zinc/19/31/81/283193181.db2.gz ULWOHVBXFGQNAQ-IUCAKERBSA-N 1 2 282.300 -1.920 20 0 CAADLO Cn1cc(C(=O)NC[C@H]2C[NH+]3CCN2CC3)c(=O)[nH]c1=O ZINC000676595788 545603541 /nfs/dbraw/zinc/60/35/41/545603541.db2.gz RSAMOXGUMJRQIK-VIFPVBQESA-N 1 2 293.327 -1.785 20 0 CAADLO C[C@H](NC(N)=O)C(=O)N1CCC[N@H+](CC(=O)N(C)C)CC1 ZINC000364387146 299259335 /nfs/dbraw/zinc/25/93/35/299259335.db2.gz RDKIMAXXVZVZME-JTQLQIEISA-N 1 2 299.375 -1.334 20 0 CAADLO C[C@H](NC(N)=O)C(=O)N1CCC[N@@H+](CC(=O)N(C)C)CC1 ZINC000364387146 299259338 /nfs/dbraw/zinc/25/93/38/299259338.db2.gz RDKIMAXXVZVZME-JTQLQIEISA-N 1 2 299.375 -1.334 20 0 CAADLO COC(=O)C[C@@H]1COCC[N@@H+]1CCCS(N)(=O)=O ZINC000347467046 291129612 /nfs/dbraw/zinc/12/96/12/291129612.db2.gz QGQMCLLGOWADPK-SECBINFHSA-N 1 2 280.346 -1.071 20 0 CAADLO COC(=O)C[C@@H]1COCC[N@H+]1CCCS(N)(=O)=O ZINC000347467046 291129613 /nfs/dbraw/zinc/12/96/13/291129613.db2.gz QGQMCLLGOWADPK-SECBINFHSA-N 1 2 280.346 -1.071 20 0 CAADLO CNC(=O)NC(=O)CN1CC[C@@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000332701452 283355037 /nfs/dbraw/zinc/35/50/37/283355037.db2.gz VMFYTSZRTUNHOH-ZJUUUORDSA-N 1 2 270.333 -1.153 20 0 CAADLO CNC(=O)NC(=O)CN1CC[C@@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000332701452 283355040 /nfs/dbraw/zinc/35/50/40/283355040.db2.gz VMFYTSZRTUNHOH-ZJUUUORDSA-N 1 2 270.333 -1.153 20 0 CAADLO CNC(=O)NC(=O)CN1CC[C@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000332701447 283355847 /nfs/dbraw/zinc/35/58/47/283355847.db2.gz VMFYTSZRTUNHOH-NXEZZACHSA-N 1 2 270.333 -1.153 20 0 CAADLO CNC(=O)NC(=O)CN1CC[C@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000332701447 283355849 /nfs/dbraw/zinc/35/58/49/283355849.db2.gz VMFYTSZRTUNHOH-NXEZZACHSA-N 1 2 270.333 -1.153 20 0 CAADLO C/C=C(/C)C(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(N)=O)C[C@H]1O ZINC001192127492 781936454 /nfs/dbraw/zinc/93/64/54/781936454.db2.gz IFSVSVSZPGOBNO-HFSRFQGMSA-N 1 2 255.318 -1.012 20 0 CAADLO CNC(=O)NC(=O)[C@H](C)[N@@H+]1CCN2C(=O)OC[C@@H]2C1 ZINC000370558390 283363337 /nfs/dbraw/zinc/36/33/37/283363337.db2.gz PEQCYWZONFEEAM-YUMQZZPRSA-N 1 2 270.289 -1.033 20 0 CAADLO CNC(=O)NC(=O)[C@H](C)[N@H+]1CCN2C(=O)OC[C@@H]2C1 ZINC000370558390 283363339 /nfs/dbraw/zinc/36/33/39/283363339.db2.gz PEQCYWZONFEEAM-YUMQZZPRSA-N 1 2 270.289 -1.033 20 0 CAADLO C/C=C(/C)C(=O)N[C@@H]1C[N@H+]([C@@H](C)C(N)=O)C[C@H]1O ZINC001192127492 781936462 /nfs/dbraw/zinc/93/64/62/781936462.db2.gz IFSVSVSZPGOBNO-HFSRFQGMSA-N 1 2 255.318 -1.012 20 0 CAADLO C/C=C(/C)C(=O)N[C@@H]1C[N@@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1O ZINC001192128561 781936486 /nfs/dbraw/zinc/93/64/86/781936486.db2.gz WRKIUTOXTRICSO-PGJBYGDZSA-N 1 2 295.339 -1.081 20 0 CAADLO C/C=C(/C)C(=O)N[C@@H]1C[N@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1O ZINC001192128561 781936492 /nfs/dbraw/zinc/93/64/92/781936492.db2.gz WRKIUTOXTRICSO-PGJBYGDZSA-N 1 2 295.339 -1.081 20 0 CAADLO NC(=O)c1cc(C(=O)NC[C@H]2C[NH+]3CCN2CC3)c[nH]1 ZINC000676623684 545604132 /nfs/dbraw/zinc/60/41/32/545604132.db2.gz FYHFQQJEDDKRCV-JTQLQIEISA-N 1 2 277.328 -1.157 20 0 CAADLO C/C=C(/C)C(=O)N[C@@H]1C[N@@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1O ZINC001192128560 781936550 /nfs/dbraw/zinc/93/65/50/781936550.db2.gz WRKIUTOXTRICSO-JKHOQLASSA-N 1 2 295.339 -1.081 20 0 CAADLO C/C=C(/C)C(=O)N[C@@H]1C[N@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1O ZINC001192128560 781936557 /nfs/dbraw/zinc/93/65/57/781936557.db2.gz WRKIUTOXTRICSO-JKHOQLASSA-N 1 2 295.339 -1.081 20 0 CAADLO COC(=O)C[C@H]1COCC[N@@H+]1CCN1C(=O)CNC1=O ZINC000347446366 291161585 /nfs/dbraw/zinc/16/15/85/291161585.db2.gz IFCMETRIIZIQRQ-VIFPVBQESA-N 1 2 285.300 -1.198 20 0 CAADLO COC(=O)C[C@H]1COCC[N@H+]1CCN1C(=O)CNC1=O ZINC000347446366 291161588 /nfs/dbraw/zinc/16/15/88/291161588.db2.gz IFCMETRIIZIQRQ-VIFPVBQESA-N 1 2 285.300 -1.198 20 0 CAADLO COC(=O)N(C)CC(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000493881320 291176130 /nfs/dbraw/zinc/17/61/30/291176130.db2.gz XXHDFTSBPIGMSK-SNVBAGLBSA-N 1 2 270.333 -1.199 20 0 CAADLO C/C=C(/C)C(=O)N[C@@H]1C[N@H+]([C@H](C)C(N)=O)C[C@H]1O ZINC001192127494 781936666 /nfs/dbraw/zinc/93/66/66/781936666.db2.gz IFSVSVSZPGOBNO-VIGODVGDSA-N 1 2 255.318 -1.012 20 0 CAADLO C/C=C(/C)C(=O)N[C@@H]1C[N@@H+]([C@H](C)C(N)=O)C[C@H]1O ZINC001192127494 781936661 /nfs/dbraw/zinc/93/66/61/781936661.db2.gz IFSVSVSZPGOBNO-VIGODVGDSA-N 1 2 255.318 -1.012 20 0 CAADLO C/C=C(\C)C(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)NC(N)=O)C[C@H]1O ZINC001192147294 781936711 /nfs/dbraw/zinc/93/67/11/781936711.db2.gz SLRVQZZFCMHEIP-KTMBLFECSA-N 1 2 298.343 -1.303 20 0 CAADLO C/C=C(\C)C(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)NC(N)=O)C[C@H]1O ZINC001192147294 781936705 /nfs/dbraw/zinc/93/67/05/781936705.db2.gz SLRVQZZFCMHEIP-KTMBLFECSA-N 1 2 298.343 -1.303 20 0 CAADLO O=C([C@@H]1CCC(=O)NC1)N(CCO)CC[NH+]1CCOCC1 ZINC000677444622 545604836 /nfs/dbraw/zinc/60/48/36/545604836.db2.gz VVVMDIZDCKCGLN-GFCCVEGCSA-N 1 2 299.371 -1.334 20 0 CAADLO CCNC(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2=CCOCC2)C1 ZINC001192391660 781941060 /nfs/dbraw/zinc/94/10/60/781941060.db2.gz OMWLAQIIXCDBND-VXGBXAGGSA-N 1 2 297.355 -1.370 20 0 CAADLO CCNC(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C2=CCOCC2)C1 ZINC001192391660 781941067 /nfs/dbraw/zinc/94/10/67/781941067.db2.gz OMWLAQIIXCDBND-VXGBXAGGSA-N 1 2 297.355 -1.370 20 0 CAADLO CNC(=O)CC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1O ZINC001192428983 781941430 /nfs/dbraw/zinc/94/14/30/781941430.db2.gz BQZDBCUVDWDPMY-NXEZZACHSA-N 1 2 298.343 -2.484 20 0 CAADLO CNC(=O)CC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1O ZINC001192428983 781941442 /nfs/dbraw/zinc/94/14/42/781941442.db2.gz BQZDBCUVDWDPMY-NXEZZACHSA-N 1 2 298.343 -2.484 20 0 CAADLO CCNC(=O)CC(=O)N[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@H]1O ZINC001192391681 781941722 /nfs/dbraw/zinc/94/17/22/781941722.db2.gz OWYBZFBTVYYGSQ-KXUCPTDWSA-N 1 2 298.343 -2.438 20 0 CAADLO CCNC(=O)CC(=O)N[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@H]1O ZINC001192391681 781941737 /nfs/dbraw/zinc/94/17/37/781941737.db2.gz OWYBZFBTVYYGSQ-KXUCPTDWSA-N 1 2 298.343 -2.438 20 0 CAADLO CNC(=O)CC(=O)N[C@@H]1C[N@H+](Cc2ccnn2C)C[C@H]1O ZINC001192429691 781941825 /nfs/dbraw/zinc/94/18/25/781941825.db2.gz PBDDTMBHODBACY-GHMZBOCLSA-N 1 2 295.343 -1.783 20 0 CAADLO CNC(=O)CC(=O)N[C@@H]1C[N@@H+](Cc2ccnn2C)C[C@H]1O ZINC001192429691 781941833 /nfs/dbraw/zinc/94/18/33/781941833.db2.gz PBDDTMBHODBACY-GHMZBOCLSA-N 1 2 295.343 -1.783 20 0 CAADLO CCNC(=O)CC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@H]1O ZINC001192391682 781944641 /nfs/dbraw/zinc/94/46/41/781944641.db2.gz OWYBZFBTVYYGSQ-OPRDCNLKSA-N 1 2 298.343 -2.438 20 0 CAADLO CCNC(=O)CC(=O)N[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@H]1O ZINC001192391682 781944648 /nfs/dbraw/zinc/94/46/48/781944648.db2.gz OWYBZFBTVYYGSQ-OPRDCNLKSA-N 1 2 298.343 -2.438 20 0 CAADLO CCNC(=O)CC(=O)N[C@@H]1C[N@H+](CCF)C[C@H]1O ZINC001192391986 781944718 /nfs/dbraw/zinc/94/47/18/781944718.db2.gz VXNFASZYYJGBRL-RKDXNWHRSA-N 1 2 261.297 -1.357 20 0 CAADLO CCNC(=O)CC(=O)N[C@@H]1C[N@@H+](CCF)C[C@H]1O ZINC001192391986 781944722 /nfs/dbraw/zinc/94/47/22/781944722.db2.gz VXNFASZYYJGBRL-RKDXNWHRSA-N 1 2 261.297 -1.357 20 0 CAADLO CCNC(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC(=O)NC)C1 ZINC001192438176 781945067 /nfs/dbraw/zinc/94/50/67/781945067.db2.gz RLUQETQFTWJRLK-RKDXNWHRSA-N 1 2 286.332 -2.580 20 0 CAADLO CCNC(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CC(=O)NC)C1 ZINC001192438176 781945075 /nfs/dbraw/zinc/94/50/75/781945075.db2.gz RLUQETQFTWJRLK-RKDXNWHRSA-N 1 2 286.332 -2.580 20 0 CAADLO CNC(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)/C=C/c2ccc[nH]2)C1 ZINC001192452843 781946127 /nfs/dbraw/zinc/94/61/27/781946127.db2.gz IOMJVAKJDGXQAD-GKUNOOHESA-N 1 2 292.339 -1.065 20 0 CAADLO CNC(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)/C=C/c2ccc[nH]2)C1 ZINC001192452843 781946132 /nfs/dbraw/zinc/94/61/32/781946132.db2.gz IOMJVAKJDGXQAD-GKUNOOHESA-N 1 2 292.339 -1.065 20 0 CAADLO CNC(=O)CC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCN(C)C2=O)C[C@H]1O ZINC001192463554 781946751 /nfs/dbraw/zinc/94/67/51/781946751.db2.gz WEWPSOWHIWKKIM-OPRDCNLKSA-N 1 2 298.343 -2.486 20 0 CAADLO CNC(=O)CC(=O)N[C@@H]1C[N@H+]([C@@H]2CCN(C)C2=O)C[C@H]1O ZINC001192463554 781946758 /nfs/dbraw/zinc/94/67/58/781946758.db2.gz WEWPSOWHIWKKIM-OPRDCNLKSA-N 1 2 298.343 -2.486 20 0 CAADLO CNC(=O)CC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)NC)C[C@H]1O ZINC001192462573 781946907 /nfs/dbraw/zinc/94/69/07/781946907.db2.gz ISGGVXLGJVXQLB-IWSPIJDZSA-N 1 2 286.332 -2.582 20 0 CAADLO CNC(=O)CC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)NC)C[C@H]1O ZINC001192462573 781946915 /nfs/dbraw/zinc/94/69/15/781946915.db2.gz ISGGVXLGJVXQLB-IWSPIJDZSA-N 1 2 286.332 -2.582 20 0 CAADLO CNC(=O)CC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC)C[C@H]1O ZINC001192462572 781946949 /nfs/dbraw/zinc/94/69/49/781946949.db2.gz ISGGVXLGJVXQLB-DJLDLDEBSA-N 1 2 286.332 -2.582 20 0 CAADLO CNC(=O)CC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)NC)C[C@H]1O ZINC001192462572 781946958 /nfs/dbraw/zinc/94/69/58/781946958.db2.gz ISGGVXLGJVXQLB-DJLDLDEBSA-N 1 2 286.332 -2.582 20 0 CAADLO CNC(=O)CC(=O)N[C@@H]1C[N@H+](Cc2ccns2)C[C@H]1O ZINC001192463613 781947120 /nfs/dbraw/zinc/94/71/20/781947120.db2.gz XZJGLTGNMAPMQD-NXEZZACHSA-N 1 2 298.368 -1.060 20 0 CAADLO CNC(=O)CC(=O)N[C@@H]1C[N@@H+](Cc2ccns2)C[C@H]1O ZINC001192463613 781947128 /nfs/dbraw/zinc/94/71/28/781947128.db2.gz XZJGLTGNMAPMQD-NXEZZACHSA-N 1 2 298.368 -1.060 20 0 CAADLO CNC(=O)CC(=O)N[C@@H]1C[N@H+](Cc2ocnc2C)C[C@H]1O ZINC001192462558 781947546 /nfs/dbraw/zinc/94/75/46/781947546.db2.gz IAXYESDTWNDAFW-NXEZZACHSA-N 1 2 296.327 -1.220 20 0 CAADLO CNC(=O)CC(=O)N[C@@H]1C[N@@H+](Cc2ocnc2C)C[C@H]1O ZINC001192462558 781947553 /nfs/dbraw/zinc/94/75/53/781947553.db2.gz IAXYESDTWNDAFW-NXEZZACHSA-N 1 2 296.327 -1.220 20 0 CAADLO CN(C)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC(C)(C)O)C1 ZINC001192571147 781948323 /nfs/dbraw/zinc/94/83/23/781948323.db2.gz MISPDQISHHCPRI-NXEZZACHSA-N 1 2 287.360 -1.603 20 0 CAADLO CN(C)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CC(C)(C)O)C1 ZINC001192571147 781948326 /nfs/dbraw/zinc/94/83/26/781948326.db2.gz MISPDQISHHCPRI-NXEZZACHSA-N 1 2 287.360 -1.603 20 0 CAADLO CCNC(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC(C)(C)O)C1 ZINC001192570873 781949253 /nfs/dbraw/zinc/94/92/53/781949253.db2.gz DFBHIHCXLOMPQP-NXEZZACHSA-N 1 2 287.360 -1.555 20 0 CAADLO CCNC(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CC(C)(C)O)C1 ZINC001192570873 781949258 /nfs/dbraw/zinc/94/92/58/781949258.db2.gz DFBHIHCXLOMPQP-NXEZZACHSA-N 1 2 287.360 -1.555 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)CC(C)(C)O)C1 ZINC001192581325 781950127 /nfs/dbraw/zinc/95/01/27/781950127.db2.gz YDJVQXOCXHSOPI-DJLDLDEBSA-N 1 2 273.333 -1.818 20 0 CAADLO [NH3+][C@@H]1NCN(C(=O)c2c(F)ccc(O)c2F)[C@H]2NCN[C@@H]21 ZINC001192555966 781949660 /nfs/dbraw/zinc/94/96/60/781949660.db2.gz HNUVYSBRDOJHDY-GMTAPVOTSA-N 1 2 299.281 -1.197 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC(C)(C)O)C1 ZINC001192581325 781950120 /nfs/dbraw/zinc/95/01/20/781950120.db2.gz YDJVQXOCXHSOPI-DJLDLDEBSA-N 1 2 273.333 -1.818 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC(C)(C)O)C1 ZINC001192607301 781951411 /nfs/dbraw/zinc/95/14/11/781951411.db2.gz LIXCPFBCCJYPEY-IVZWLZJFSA-N 1 2 287.360 -1.557 20 0 CAADLO CNC(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CC(C)(C)O)C1 ZINC001192607301 781951423 /nfs/dbraw/zinc/95/14/23/781951423.db2.gz LIXCPFBCCJYPEY-IVZWLZJFSA-N 1 2 287.360 -1.557 20 0 CAADLO CNC(=O)CN1C[C@@H](O)[C@H](NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001192632855 781951483 /nfs/dbraw/zinc/95/14/83/781951483.db2.gz NAANFEPJLNJIGP-NXEZZACHSA-N 1 2 295.343 -1.750 20 0 CAADLO CN1CC[C@@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)CC(C)(C)O)C2)C1=O ZINC001192614902 781951508 /nfs/dbraw/zinc/95/15/08/781951508.db2.gz HUHFHCWDYQSYOB-GMTAPVOTSA-N 1 2 299.371 -1.461 20 0 CAADLO CN1CC[C@@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)CC(C)(C)O)C2)C1=O ZINC001192614902 781951515 /nfs/dbraw/zinc/95/15/15/781951515.db2.gz HUHFHCWDYQSYOB-GMTAPVOTSA-N 1 2 299.371 -1.461 20 0 CAADLO CN1CC[C@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)CC(C)(C)O)C2)C1=O ZINC001192614909 781951718 /nfs/dbraw/zinc/95/17/18/781951718.db2.gz HUHFHCWDYQSYOB-OUAUKWLOSA-N 1 2 299.371 -1.461 20 0 CAADLO CN1CC[C@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)CC(C)(C)O)C2)C1=O ZINC001192614909 781951724 /nfs/dbraw/zinc/95/17/24/781951724.db2.gz HUHFHCWDYQSYOB-OUAUKWLOSA-N 1 2 299.371 -1.461 20 0 CAADLO C[C@@H](NC(=O)C[N@@H+]1CCC[C@H]1C(N)=O)C(=O)N(C)C ZINC000255895117 296048332 /nfs/dbraw/zinc/04/83/32/296048332.db2.gz WSQKESTYUVQAGN-BDAKNGLRSA-N 1 2 270.333 -1.471 20 0 CAADLO C[C@@H](NC(=O)C[N@H+]1CCC[C@H]1C(N)=O)C(=O)N(C)C ZINC000255895117 296048333 /nfs/dbraw/zinc/04/83/33/296048333.db2.gz WSQKESTYUVQAGN-BDAKNGLRSA-N 1 2 270.333 -1.471 20 0 CAADLO CN(C)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC2(O)CCC2)C1 ZINC001192797460 781955816 /nfs/dbraw/zinc/95/58/16/781955816.db2.gz STTMKWPVUDZDFY-GHMZBOCLSA-N 1 2 299.371 -1.459 20 0 CAADLO CN(C)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CC2(O)CCC2)C1 ZINC001192797460 781955825 /nfs/dbraw/zinc/95/58/25/781955825.db2.gz STTMKWPVUDZDFY-GHMZBOCLSA-N 1 2 299.371 -1.459 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC2(O)CCC2)C1 ZINC001192785775 781956124 /nfs/dbraw/zinc/95/61/24/781956124.db2.gz YJRNSMQPRFGJRN-HBNTYKKESA-N 1 2 299.371 -1.413 20 0 CAADLO CNC(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CC2(O)CCC2)C1 ZINC001192785775 781956133 /nfs/dbraw/zinc/95/61/33/781956133.db2.gz YJRNSMQPRFGJRN-HBNTYKKESA-N 1 2 299.371 -1.413 20 0 CAADLO CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2n[nH]c(C)n2)C1 ZINC001192751627 781956509 /nfs/dbraw/zinc/95/65/09/781956509.db2.gz DJXRVMCWAZETJD-GHMZBOCLSA-N 1 2 297.359 -1.147 20 0 CAADLO CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2n[nH]c(C)n2)C1 ZINC001192751627 781956513 /nfs/dbraw/zinc/95/65/13/781956513.db2.gz DJXRVMCWAZETJD-GHMZBOCLSA-N 1 2 297.359 -1.147 20 0 CAADLO COCC1(CC(=O)N[C@@H]2C[N@@H+]([C@H](C)C(N)=O)C[C@H]2O)CC1 ZINC001192836316 781957017 /nfs/dbraw/zinc/95/70/17/781957017.db2.gz WWFQBZJXXFIUIX-GMTAPVOTSA-N 1 2 299.371 -1.162 20 0 CAADLO COCC1(CC(=O)N[C@@H]2C[N@H+]([C@H](C)C(N)=O)C[C@H]2O)CC1 ZINC001192836316 781957023 /nfs/dbraw/zinc/95/70/23/781957023.db2.gz WWFQBZJXXFIUIX-GMTAPVOTSA-N 1 2 299.371 -1.162 20 0 CAADLO [NH3+][C@@H]1NCN(C(=O)c2c(O)ccc(F)c2F)[C@H]2NCN[C@H]21 ZINC001192785143 781957046 /nfs/dbraw/zinc/95/70/46/781957046.db2.gz UHSJHPSRLAGTTO-HBNTYKKESA-N 1 2 299.281 -1.197 20 0 CAADLO C[C@@H]1CC(=O)NCC[N@@H+]1CC(=O)N1CCNC1=O ZINC000677715345 545605067 /nfs/dbraw/zinc/60/50/67/545605067.db2.gz KSKDSBMEBBDPCH-MRVPVSSYSA-N 1 2 254.290 -1.251 20 0 CAADLO C[C@@H]1CC(=O)NCC[N@H+]1CC(=O)N1CCNC1=O ZINC000677715345 545605071 /nfs/dbraw/zinc/60/50/71/545605071.db2.gz KSKDSBMEBBDPCH-MRVPVSSYSA-N 1 2 254.290 -1.251 20 0 CAADLO CN(CC(=O)NCCC[N@@H+]1CCNC(=O)C1)C(=O)C1CC1 ZINC000677931172 545605849 /nfs/dbraw/zinc/60/58/49/545605849.db2.gz HRUZMYNVBVMJED-UHFFFAOYSA-N 1 2 296.371 -1.207 20 0 CAADLO CN(CC(=O)NCCC[N@H+]1CCNC(=O)C1)C(=O)C1CC1 ZINC000677931172 545605854 /nfs/dbraw/zinc/60/58/54/545605854.db2.gz HRUZMYNVBVMJED-UHFFFAOYSA-N 1 2 296.371 -1.207 20 0 CAADLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N=c1nc[nH]n1C ZINC000677797916 545605591 /nfs/dbraw/zinc/60/55/91/545605591.db2.gz KIKRZRLVJJYZRH-SNVBAGLBSA-N 1 2 281.364 -1.006 20 0 CAADLO Cn1ccc(C(=O)NCCC[N@@H+]2CCNC(=O)C2)n1 ZINC000677931428 545605728 /nfs/dbraw/zinc/60/57/28/545605728.db2.gz NOGOVSVKKDVRMT-UHFFFAOYSA-N 1 2 265.317 -1.028 20 0 CAADLO Cn1ccc(C(=O)NCCC[N@H+]2CCNC(=O)C2)n1 ZINC000677931428 545605732 /nfs/dbraw/zinc/60/57/32/545605732.db2.gz NOGOVSVKKDVRMT-UHFFFAOYSA-N 1 2 265.317 -1.028 20 0 CAADLO CN(CC(=O)N1CCNC(=O)C1)Cc1[nH]cc[nH+]1 ZINC000677801879 545605802 /nfs/dbraw/zinc/60/58/02/545605802.db2.gz KWSLUGKFPKJYBI-UHFFFAOYSA-N 1 2 251.290 -1.200 20 0 CAADLO Cn1[nH]cnc1=NC(=O)NC[C@H]1CN(C)CC[N@@H+]1C ZINC000677797909 545606599 /nfs/dbraw/zinc/60/65/99/545606599.db2.gz KIEQYFVAULCGLW-VIFPVBQESA-N 1 2 267.337 -1.396 20 0 CAADLO Cn1[nH]cnc1=NC(=O)NC[C@H]1CN(C)CC[N@H+]1C ZINC000677797909 545606604 /nfs/dbraw/zinc/60/66/04/545606604.db2.gz KIEQYFVAULCGLW-VIFPVBQESA-N 1 2 267.337 -1.396 20 0 CAADLO O=C1NC[C@@H]2C[N@H+](C[C@H](O)CC3(O)CCC3)CCN2C1=O ZINC000625225536 372794508 /nfs/dbraw/zinc/79/45/08/372794508.db2.gz QLVUFCNPSSPLJX-GHMZBOCLSA-N 1 2 297.355 -1.705 20 0 CAADLO O=C1NC[C@@H]2C[N@@H+](C[C@H](O)CC3(O)CCC3)CCN2C1=O ZINC000625225536 372794514 /nfs/dbraw/zinc/79/45/14/372794514.db2.gz QLVUFCNPSSPLJX-GHMZBOCLSA-N 1 2 297.355 -1.705 20 0 CAADLO CC[N@H+](CC(=O)N(C)C)CC(=O)N1CCNC1=O ZINC000607732727 372777510 /nfs/dbraw/zinc/77/75/10/372777510.db2.gz XYHLRAZVYLXSOS-UHFFFAOYSA-N 1 2 256.306 -1.052 20 0 CAADLO CC[N@@H+](CC(=O)N(C)C)CC(=O)N1CCNC1=O ZINC000607732727 372777515 /nfs/dbraw/zinc/77/75/15/372777515.db2.gz XYHLRAZVYLXSOS-UHFFFAOYSA-N 1 2 256.306 -1.052 20 0 CAADLO CNC(=O)NC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000268492073 372779111 /nfs/dbraw/zinc/77/91/11/372779111.db2.gz VIANQUOXDZXPFM-PRJMDXOYSA-N 1 2 272.305 -1.595 20 0 CAADLO CNC(=O)NC(=O)[C@@H](C)[N@H+]1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000268492073 372779119 /nfs/dbraw/zinc/77/91/19/372779119.db2.gz VIANQUOXDZXPFM-PRJMDXOYSA-N 1 2 272.305 -1.595 20 0 CAADLO CNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000268492071 372779456 /nfs/dbraw/zinc/77/94/56/372779456.db2.gz VIANQUOXDZXPFM-CSMHCCOUSA-N 1 2 272.305 -1.595 20 0 CAADLO CNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000268492071 372779466 /nfs/dbraw/zinc/77/94/66/372779466.db2.gz VIANQUOXDZXPFM-CSMHCCOUSA-N 1 2 272.305 -1.595 20 0 CAADLO CNC(=O)NC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000268492070 372779892 /nfs/dbraw/zinc/77/98/92/372779892.db2.gz VIANQUOXDZXPFM-BWZBUEFSSA-N 1 2 272.305 -1.595 20 0 CAADLO CNC(=O)NC(=O)[C@@H](C)[N@H+]1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000268492070 372779898 /nfs/dbraw/zinc/77/98/98/372779898.db2.gz VIANQUOXDZXPFM-BWZBUEFSSA-N 1 2 272.305 -1.595 20 0 CAADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)NCC(=O)NC1CC1 ZINC000624746872 372780952 /nfs/dbraw/zinc/78/09/52/372780952.db2.gz ZPWXJJATAQVMEB-JTQLQIEISA-N 1 2 270.333 -1.105 20 0 CAADLO C[N@H+]1CCOC[C@@H]1CNC(=O)NCC(=O)NC1CC1 ZINC000624746872 372780960 /nfs/dbraw/zinc/78/09/60/372780960.db2.gz ZPWXJJATAQVMEB-JTQLQIEISA-N 1 2 270.333 -1.105 20 0 CAADLO COC[C@H](CO)NC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000624735550 372781006 /nfs/dbraw/zinc/78/10/06/372781006.db2.gz UYPUBPNQYMZVMH-UWVGGRQHSA-N 1 2 261.322 -1.377 20 0 CAADLO COC[C@H](CO)NC(=O)NC[C@H]1COCC[N@H+]1C ZINC000624735550 372781012 /nfs/dbraw/zinc/78/10/12/372781012.db2.gz UYPUBPNQYMZVMH-UWVGGRQHSA-N 1 2 261.322 -1.377 20 0 CAADLO CN1CN(C(=O)NC[C@H]2COCC[N@@H+]2C)CC1=O ZINC000624733995 372781030 /nfs/dbraw/zinc/78/10/30/372781030.db2.gz VZNAPIRQQYBIMX-VIFPVBQESA-N 1 2 256.306 -1.242 20 0 CAADLO CN1CN(C(=O)NC[C@H]2COCC[N@H+]2C)CC1=O ZINC000624733995 372781041 /nfs/dbraw/zinc/78/10/41/372781041.db2.gz VZNAPIRQQYBIMX-VIFPVBQESA-N 1 2 256.306 -1.242 20 0 CAADLO CN1CCOC[C@@H]1CNC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000624732012 372781359 /nfs/dbraw/zinc/78/13/59/372781359.db2.gz NTINTOQUDHKMLK-RYUDHWBXSA-N 1 2 286.376 -1.053 20 0 CAADLO CN1CCOC[C@@H]1CNC(=O)NC[C@H]1COCC[N@H+]1C ZINC000624732012 372781366 /nfs/dbraw/zinc/78/13/66/372781366.db2.gz NTINTOQUDHKMLK-RYUDHWBXSA-N 1 2 286.376 -1.053 20 0 CAADLO O=C1NC[C@@H]2C[N@H+](CCOC3CCOCC3)CCN2C1=O ZINC000625222761 372795504 /nfs/dbraw/zinc/79/55/04/372795504.db2.gz KXWLWGNLRXOSBT-LLVKDONJSA-N 1 2 297.355 -1.175 20 0 CAADLO COC[C@H](CO)NC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000624735553 372783141 /nfs/dbraw/zinc/78/31/41/372783141.db2.gz UYPUBPNQYMZVMH-VHSXEESVSA-N 1 2 261.322 -1.377 20 0 CAADLO COC[C@H](CO)NC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000624735553 372783144 /nfs/dbraw/zinc/78/31/44/372783144.db2.gz UYPUBPNQYMZVMH-VHSXEESVSA-N 1 2 261.322 -1.377 20 0 CAADLO C[N@@H+]1CCOC[C@H]1CNC(=O)NCC(=O)NCC(F)F ZINC000624738707 372784325 /nfs/dbraw/zinc/78/43/25/372784325.db2.gz ODZUOOJJYCIECD-MRVPVSSYSA-N 1 2 294.302 -1.003 20 0 CAADLO C[N@H+]1CCOC[C@H]1CNC(=O)NCC(=O)NCC(F)F ZINC000624738707 372784334 /nfs/dbraw/zinc/78/43/34/372784334.db2.gz ODZUOOJJYCIECD-MRVPVSSYSA-N 1 2 294.302 -1.003 20 0 CAADLO O=C1NC[C@@H]2C[N@@H+](CCOC3CCOCC3)CCN2C1=O ZINC000625222761 372795512 /nfs/dbraw/zinc/79/55/12/372795512.db2.gz KXWLWGNLRXOSBT-LLVKDONJSA-N 1 2 297.355 -1.175 20 0 CAADLO C[C@H](CNC(=O)NC[C@@H]1COCC[N@@H+]1C)S(N)(=O)=O ZINC000624738774 372784955 /nfs/dbraw/zinc/78/49/55/372784955.db2.gz OONJKTKCIAMBRB-RKDXNWHRSA-N 1 2 294.377 -1.707 20 0 CAADLO C[C@H](CNC(=O)NC[C@@H]1COCC[N@H+]1C)S(N)(=O)=O ZINC000624738774 372784961 /nfs/dbraw/zinc/78/49/61/372784961.db2.gz OONJKTKCIAMBRB-RKDXNWHRSA-N 1 2 294.377 -1.707 20 0 CAADLO COC[C@@H](CO)NC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000624740291 372785137 /nfs/dbraw/zinc/78/51/37/372785137.db2.gz UYPUBPNQYMZVMH-ZJUUUORDSA-N 1 2 261.322 -1.377 20 0 CAADLO COC[C@@H](CO)NC(=O)NC[C@H]1COCC[N@H+]1C ZINC000624740291 372785139 /nfs/dbraw/zinc/78/51/39/372785139.db2.gz UYPUBPNQYMZVMH-ZJUUUORDSA-N 1 2 261.322 -1.377 20 0 CAADLO CC(C)[N@H+](CC(N)=O)CC(=O)N1CCNC(=O)C1 ZINC000011472316 372785477 /nfs/dbraw/zinc/78/54/77/372785477.db2.gz JHVCZMIOKOCWFY-UHFFFAOYSA-N 1 2 256.306 -1.860 20 0 CAADLO CC(C)[N@@H+](CC(N)=O)CC(=O)N1CCNC(=O)C1 ZINC000011472316 372785483 /nfs/dbraw/zinc/78/54/83/372785483.db2.gz JHVCZMIOKOCWFY-UHFFFAOYSA-N 1 2 256.306 -1.860 20 0 CAADLO CNS(=O)(=O)[C@H]1CC[N@@H+]([C@@H]2CC(=O)N(C)C2=O)C1 ZINC000533534530 372798054 /nfs/dbraw/zinc/79/80/54/372798054.db2.gz RMAKEXSEWFWYPX-JGVFFNPUSA-N 1 2 275.330 -1.633 20 0 CAADLO CNS(=O)(=O)[C@H]1CC[N@H+]([C@@H]2CC(=O)N(C)C2=O)C1 ZINC000533534530 372798059 /nfs/dbraw/zinc/79/80/59/372798059.db2.gz RMAKEXSEWFWYPX-JGVFFNPUSA-N 1 2 275.330 -1.633 20 0 CAADLO CNS(=O)(=O)[C@@H]1CC[N@@H+]([C@H]2CC(=O)N(C)C2=O)C1 ZINC000533534531 372798145 /nfs/dbraw/zinc/79/81/45/372798145.db2.gz RMAKEXSEWFWYPX-SFYZADRCSA-N 1 2 275.330 -1.633 20 0 CAADLO CNS(=O)(=O)[C@@H]1CC[N@H+]([C@H]2CC(=O)N(C)C2=O)C1 ZINC000533534531 372798149 /nfs/dbraw/zinc/79/81/49/372798149.db2.gz RMAKEXSEWFWYPX-SFYZADRCSA-N 1 2 275.330 -1.633 20 0 CAADLO CNS(=O)(=O)[C@H]1CC[N@@H+]([C@H]2CC(=O)N(C)C2=O)C1 ZINC000533534532 372798158 /nfs/dbraw/zinc/79/81/58/372798158.db2.gz RMAKEXSEWFWYPX-YUMQZZPRSA-N 1 2 275.330 -1.633 20 0 CAADLO CNS(=O)(=O)[C@H]1CC[N@H+]([C@H]2CC(=O)N(C)C2=O)C1 ZINC000533534532 372798165 /nfs/dbraw/zinc/79/81/65/372798165.db2.gz RMAKEXSEWFWYPX-YUMQZZPRSA-N 1 2 275.330 -1.633 20 0 CAADLO O=C(CNC(=O)C1CC1)NCCC[N@@H+]1CCNC(=O)C1 ZINC000551925294 372798548 /nfs/dbraw/zinc/79/85/48/372798548.db2.gz AOCZOXMSXFYHJN-UHFFFAOYSA-N 1 2 282.344 -1.549 20 0 CAADLO O=C(CNC(=O)C1CC1)NCCC[N@H+]1CCNC(=O)C1 ZINC000551925294 372798557 /nfs/dbraw/zinc/79/85/57/372798557.db2.gz AOCZOXMSXFYHJN-UHFFFAOYSA-N 1 2 282.344 -1.549 20 0 CAADLO CS(=O)(=O)NC1C[NH+](C[C@@]2(O)CCCOC2)C1 ZINC000634650621 372802963 /nfs/dbraw/zinc/80/29/63/372802963.db2.gz QMVRQXZYMBRGSU-JTQLQIEISA-N 1 2 264.347 -1.239 20 0 CAADLO C[C@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1CC[C@H](C(N)=O)O1 ZINC000625266006 372805905 /nfs/dbraw/zinc/80/59/05/372805905.db2.gz VBOXXQLCOXTOCX-AXFHLTTASA-N 1 2 285.344 -1.144 20 0 CAADLO C[C@H]1COCC[N@H+]1CCNC(=O)[C@@H]1CC[C@H](C(N)=O)O1 ZINC000625266006 372805911 /nfs/dbraw/zinc/80/59/11/372805911.db2.gz VBOXXQLCOXTOCX-AXFHLTTASA-N 1 2 285.344 -1.144 20 0 CAADLO NC(=O)c1ccc(CNC(=O)CN2CC[NH2+]CC2=O)cc1 ZINC000237723629 372808521 /nfs/dbraw/zinc/80/85/21/372808521.db2.gz BWTGWMBXERATNY-UHFFFAOYSA-N 1 2 290.323 -1.167 20 0 CAADLO C[C@@H](O)C(=O)N1CC[NH+](CCc2cn(C)nn2)CC1 ZINC000625276432 372810415 /nfs/dbraw/zinc/81/04/15/372810415.db2.gz BOGJTVJRCXQZRS-SNVBAGLBSA-N 1 2 267.333 -1.117 20 0 CAADLO CCCNC(=O)CNC(=O)CN1CC[NH2+]CC1=O ZINC000150743049 372810580 /nfs/dbraw/zinc/81/05/80/372810580.db2.gz PACBPKVWLJYASE-UHFFFAOYSA-N 1 2 256.306 -1.939 20 0 CAADLO COCCOCC[NH+]1CCN(C(=O)[C@@H]2CC(=O)N2)CC1 ZINC000616580290 372832540 /nfs/dbraw/zinc/83/25/40/372832540.db2.gz ZMWWRZJVDLTDMF-NSHDSACASA-N 1 2 285.344 -1.318 20 0 CAADLO C[C@@H](O)C(=O)N1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC000556716470 372838973 /nfs/dbraw/zinc/83/89/73/372838973.db2.gz NRCVVDVNTBLOOI-SNVBAGLBSA-N 1 2 266.301 -1.065 20 0 CAADLO Cc1noc(CCCNC(=O)CN2CC[NH2+]CC2=O)n1 ZINC000565597294 372841270 /nfs/dbraw/zinc/84/12/70/372841270.db2.gz TXAVZTOUUVXMHJ-UHFFFAOYSA-N 1 2 281.316 -1.141 20 0 CAADLO CC(=O)N1CC[C@H](C(=O)N[C@H](CO)C[NH+]2CCOCC2)C1 ZINC000556804111 372842361 /nfs/dbraw/zinc/84/23/61/372842361.db2.gz IMELRHUWRVFQPG-STQMWFEESA-N 1 2 299.371 -1.336 20 0 CAADLO CCC(CC)(NC(=O)C1C[NH+]([C@H]2CCNC2=O)C1)C(N)=O ZINC000556849206 372843997 /nfs/dbraw/zinc/84/39/97/372843997.db2.gz HRVAHWOHKJJJFW-JTQLQIEISA-N 1 2 296.371 -1.033 20 0 CAADLO C[C@H](O)C[NH+]1CCN(S(=O)(=O)N(C)C)CC1 ZINC000049838905 372844997 /nfs/dbraw/zinc/84/49/97/372844997.db2.gz QHEBTMQCOBFLQC-VIFPVBQESA-N 1 2 251.352 -1.209 20 0 CAADLO O=C(CNC(=O)c1cccnn1)NCC[NH+]1CCOCC1 ZINC000625481546 372863389 /nfs/dbraw/zinc/86/33/89/372863389.db2.gz KKSKVAIYYOMNEH-UHFFFAOYSA-N 1 2 293.327 -1.345 20 0 CAADLO Cn1cnc2c1ncnc2N1CC[NH+](CC(N)=O)CC1 ZINC000624497928 372863428 /nfs/dbraw/zinc/86/34/28/372863428.db2.gz AQODQYCUZPVLJV-UHFFFAOYSA-N 1 2 275.316 -1.029 20 0 CAADLO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1[C@@H]1CCNC1=O ZINC000407949871 372866171 /nfs/dbraw/zinc/86/61/71/372866171.db2.gz QQAOWIMQPMZNPG-DTWKUNHWSA-N 1 2 261.347 -1.112 20 0 CAADLO CNS(=O)(=O)C[C@@H]1CCC[N@H+]1[C@@H]1CCNC1=O ZINC000407949871 372866182 /nfs/dbraw/zinc/86/61/82/372866182.db2.gz QQAOWIMQPMZNPG-DTWKUNHWSA-N 1 2 261.347 -1.112 20 0 CAADLO CNS(=O)(=O)C[C@H]1CCC[N@@H+]1[C@H]1CCNC1=O ZINC000407949870 372866242 /nfs/dbraw/zinc/86/62/42/372866242.db2.gz QQAOWIMQPMZNPG-BDAKNGLRSA-N 1 2 261.347 -1.112 20 0 CAADLO CNS(=O)(=O)C[C@H]1CCC[N@H+]1[C@H]1CCNC1=O ZINC000407949870 372866252 /nfs/dbraw/zinc/86/62/52/372866252.db2.gz QQAOWIMQPMZNPG-BDAKNGLRSA-N 1 2 261.347 -1.112 20 0 CAADLO CNC(=O)C[N@@H+]1C[C@@H](O)[C@H](Oc2cnn(C)c2)C1 ZINC000625623947 372869988 /nfs/dbraw/zinc/86/99/88/372869988.db2.gz HEWSIHHERVLUGA-NXEZZACHSA-N 1 2 254.290 -1.410 20 0 CAADLO CNC(=O)C[N@H+]1C[C@@H](O)[C@H](Oc2cnn(C)c2)C1 ZINC000625623947 372869995 /nfs/dbraw/zinc/86/99/95/372869995.db2.gz HEWSIHHERVLUGA-NXEZZACHSA-N 1 2 254.290 -1.410 20 0 CAADLO C[C@@H](C(=O)N(C)CC(=O)NC1CC1)[NH+]1C[C@H](O)[C@@H](O)C1 ZINC000625723299 372871238 /nfs/dbraw/zinc/87/12/38/372871238.db2.gz XMXOGDJZCSYEGA-LSJOCFKGSA-N 1 2 285.344 -1.851 20 0 CAADLO Cn1cc(N2CC[C@@H]([NH+]3C[C@H](O)[C@@H](O)C3)C2=O)cn1 ZINC000625721893 372871469 /nfs/dbraw/zinc/87/14/69/372871469.db2.gz AUVVGIVEUMHIDF-VWYCJHECSA-N 1 2 266.301 -1.437 20 0 CAADLO C[C@H](C(=O)N(C)CC(=O)NC1CC1)[NH+]1C[C@H](O)[C@@H](O)C1 ZINC000625723300 372871751 /nfs/dbraw/zinc/87/17/51/372871751.db2.gz XMXOGDJZCSYEGA-MIMYLULJSA-N 1 2 285.344 -1.851 20 0 CAADLO Cn1c(=O)cc(NC[C@@H]2COCC[N@@H+]2C)n(C)c1=O ZINC000624622378 372874595 /nfs/dbraw/zinc/87/45/95/372874595.db2.gz XUXWOSXZGASMEQ-SECBINFHSA-N 1 2 268.317 -1.174 20 0 CAADLO Cn1c(=O)cc(NC[C@@H]2COCC[N@H+]2C)n(C)c1=O ZINC000624622378 372874602 /nfs/dbraw/zinc/87/46/02/372874602.db2.gz XUXWOSXZGASMEQ-SECBINFHSA-N 1 2 268.317 -1.174 20 0 CAADLO CN1CCCC[C@H]([N@H+](C)CC(=O)N2CCNC(=O)C2)C1=O ZINC000634737260 372876370 /nfs/dbraw/zinc/87/63/70/372876370.db2.gz MSMPUYNCMQVGRS-NSHDSACASA-N 1 2 296.371 -1.113 20 0 CAADLO CN1CCCC[C@H]([N@@H+](C)CC(=O)N2CCNC(=O)C2)C1=O ZINC000634737260 372876377 /nfs/dbraw/zinc/87/63/77/372876377.db2.gz MSMPUYNCMQVGRS-NSHDSACASA-N 1 2 296.371 -1.113 20 0 CAADLO C[C@H](CNC(=O)N1C[C@@H](O)C[C@H]1CO)[NH+]1CCOCC1 ZINC000361349592 372877809 /nfs/dbraw/zinc/87/78/09/372877809.db2.gz WSRCAYMJADHPTB-WOPDTQHZSA-N 1 2 287.360 -1.156 20 0 CAADLO C[C@H](C(=O)N1C[C@@H]2COC[C@@H]2C1)N1CC[NH2+]CC1=O ZINC000634773740 372889617 /nfs/dbraw/zinc/88/96/17/372889617.db2.gz OYJJZPWTYYQBCL-MXWKQRLJSA-N 1 2 267.329 -1.089 20 0 CAADLO CCN(C)S(=O)(=O)NCC[NH+]1CCN(C(C)=O)CC1 ZINC000072677406 372891079 /nfs/dbraw/zinc/89/10/79/372891079.db2.gz GUVOIEYMDNUVOX-UHFFFAOYSA-N 1 2 292.405 -1.063 20 0 CAADLO CO[C@@H]1CN(S(=O)(=O)C[C@@H]2C[N@H+](C)CCO2)CCO1 ZINC000632260664 372880847 /nfs/dbraw/zinc/88/08/47/372880847.db2.gz RXXILFFWHQAQHV-QWRGUYRKSA-N 1 2 294.373 -1.049 20 0 CAADLO CO[C@@H]1CN(S(=O)(=O)C[C@@H]2C[N@@H+](C)CCO2)CCO1 ZINC000632260664 372880852 /nfs/dbraw/zinc/88/08/52/372880852.db2.gz RXXILFFWHQAQHV-QWRGUYRKSA-N 1 2 294.373 -1.049 20 0 CAADLO CC(=O)N1CCC[N@H+](CC(=O)N2CCNC(=O)C2)CC1 ZINC000011419768 372886726 /nfs/dbraw/zinc/88/67/26/372886726.db2.gz PIFJZLWFXLCUNM-UHFFFAOYSA-N 1 2 282.344 -1.501 20 0 CAADLO CC(=O)N1CCC[N@@H+](CC(=O)N2CCNC(=O)C2)CC1 ZINC000011419768 372886735 /nfs/dbraw/zinc/88/67/35/372886735.db2.gz PIFJZLWFXLCUNM-UHFFFAOYSA-N 1 2 282.344 -1.501 20 0 CAADLO CCNC(=O)NC(=O)CN1CC[NH+](CC(=O)N(C)C)CC1 ZINC000023251130 372886823 /nfs/dbraw/zinc/88/68/23/372886823.db2.gz MFEHGCBGLRXFND-UHFFFAOYSA-N 1 2 299.375 -1.462 20 0 CAADLO COC(=O)c1cn([C@H]2CC[N@@H+]([C@H]3CC(=O)NC3=O)C2)nn1 ZINC000518558603 372886913 /nfs/dbraw/zinc/88/69/13/372886913.db2.gz ZWHASBUAFYWPGX-CBAPKCEASA-N 1 2 293.283 -1.273 20 0 CAADLO COC(=O)c1cn([C@H]2CC[N@H+]([C@H]3CC(=O)NC3=O)C2)nn1 ZINC000518558603 372886922 /nfs/dbraw/zinc/88/69/22/372886922.db2.gz ZWHASBUAFYWPGX-CBAPKCEASA-N 1 2 293.283 -1.273 20 0 CAADLO COC[C@H](CO)NS(=O)(=O)C[C@H]1C[N@H+](C)CCO1 ZINC000632294461 372924558 /nfs/dbraw/zinc/92/45/58/372924558.db2.gz KBEIDQQSPFLYJM-VHSXEESVSA-N 1 2 282.362 -1.756 20 0 CAADLO COC[C@H](CO)NS(=O)(=O)C[C@H]1C[N@@H+](C)CCO1 ZINC000632294461 372924565 /nfs/dbraw/zinc/92/45/65/372924565.db2.gz KBEIDQQSPFLYJM-VHSXEESVSA-N 1 2 282.362 -1.756 20 0 CAADLO CCS(=O)(=O)NCCC[N@@H+]1CCO[C@H](CC(N)=O)C1 ZINC000626077717 372917292 /nfs/dbraw/zinc/91/72/92/372917292.db2.gz POYIGLOYFGJLAN-SNVBAGLBSA-N 1 2 293.389 -1.108 20 0 CAADLO CCS(=O)(=O)NCCC[N@H+]1CCO[C@H](CC(N)=O)C1 ZINC000626077717 372917305 /nfs/dbraw/zinc/91/73/05/372917305.db2.gz POYIGLOYFGJLAN-SNVBAGLBSA-N 1 2 293.389 -1.108 20 0 CAADLO C[C@@H](CO)C[N@@H+]1CCOC[C@H]1CNS(C)(=O)=O ZINC000626097282 372920343 /nfs/dbraw/zinc/92/03/43/372920343.db2.gz PATDQUIZPFILCN-NXEZZACHSA-N 1 2 266.363 -1.135 20 0 CAADLO C[C@@H](CO)C[N@H+]1CCOC[C@H]1CNS(C)(=O)=O ZINC000626097282 372920351 /nfs/dbraw/zinc/92/03/51/372920351.db2.gz PATDQUIZPFILCN-NXEZZACHSA-N 1 2 266.363 -1.135 20 0 CAADLO CNC(=O)CC[N@@H+]1CCOC[C@H]1CNS(C)(=O)=O ZINC000626095461 372920623 /nfs/dbraw/zinc/92/06/23/372920623.db2.gz ZPBWUKFUJFSXFD-SECBINFHSA-N 1 2 279.362 -1.628 20 0 CAADLO CNC(=O)CC[N@H+]1CCOC[C@H]1CNS(C)(=O)=O ZINC000626095461 372920627 /nfs/dbraw/zinc/92/06/27/372920627.db2.gz ZPBWUKFUJFSXFD-SECBINFHSA-N 1 2 279.362 -1.628 20 0 CAADLO O=C(CNC(=O)[C@H]1C[C@@H](O)C1)NCC[NH+]1CCOCC1 ZINC000635550372 372952482 /nfs/dbraw/zinc/95/24/82/372952482.db2.gz UIYZFOSRCCTFBO-PHIMTYICSA-N 1 2 285.344 -1.678 20 0 CAADLO C[NH+](C)CCn1nnnc1SCc1n[nH]c(=O)[nH]1 ZINC000091581917 372952646 /nfs/dbraw/zinc/95/26/46/372952646.db2.gz ICCBFUDJVBECAW-UHFFFAOYSA-N 1 2 270.322 -1.062 20 0 CAADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@H](C)NS(C)(=O)=O ZINC000141702220 372954120 /nfs/dbraw/zinc/95/41/20/372954120.db2.gz DHFFMZWINQFQPE-UWVGGRQHSA-N 1 2 293.389 -1.239 20 0 CAADLO C[N@@H+]1CCO[C@H](CS(=O)(=O)N[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC000632295804 372925626 /nfs/dbraw/zinc/92/56/26/372925626.db2.gz WCVNPHJJQFSCBD-UKKRHICBSA-N 1 2 276.358 -1.119 20 0 CAADLO C[N@H+]1CCO[C@H](CS(=O)(=O)N[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC000632295804 372925630 /nfs/dbraw/zinc/92/56/30/372925630.db2.gz WCVNPHJJQFSCBD-UKKRHICBSA-N 1 2 276.358 -1.119 20 0 CAADLO NC(=O)C[NH+]1CCN(c2ncnc3n[nH]cc32)CC1 ZINC000078486735 372925661 /nfs/dbraw/zinc/92/56/61/372925661.db2.gz QTVPVDQQESKJLU-UHFFFAOYSA-N 1 2 261.289 -1.040 20 0 CAADLO C[N@@H+]1CCO[C@@H](CS(=O)(=O)N[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC000632295805 372926396 /nfs/dbraw/zinc/92/63/96/372926396.db2.gz WCVNPHJJQFSCBD-ZNSHCXBVSA-N 1 2 276.358 -1.119 20 0 CAADLO C[N@H+]1CCO[C@@H](CS(=O)(=O)N[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC000632295805 372926402 /nfs/dbraw/zinc/92/64/02/372926402.db2.gz WCVNPHJJQFSCBD-ZNSHCXBVSA-N 1 2 276.358 -1.119 20 0 CAADLO Cc1c[nH]c(CN2CCN3C(=O)C(=O)NC[C@@H]3C2)[nH+]1 ZINC000628189624 372930391 /nfs/dbraw/zinc/93/03/91/372930391.db2.gz HXMKLEIOABDNAP-SECBINFHSA-N 1 2 263.301 -1.139 20 0 CAADLO CNC(=O)NC(=O)C[N@@H+]1CCO[C@@]2(CCOC2)C1 ZINC000408274069 372931248 /nfs/dbraw/zinc/93/12/48/372931248.db2.gz ITAATUQDMVRAKO-NSHDSACASA-N 1 2 257.290 -1.067 20 0 CAADLO CNC(=O)NC(=O)C[N@H+]1CCO[C@@]2(CCOC2)C1 ZINC000408274069 372931254 /nfs/dbraw/zinc/93/12/54/372931254.db2.gz ITAATUQDMVRAKO-NSHDSACASA-N 1 2 257.290 -1.067 20 0 CAADLO Cc1c[nH]c(CN2CCN3C(=O)C(=O)NC[C@H]3C2)[nH+]1 ZINC000628189625 372931291 /nfs/dbraw/zinc/93/12/91/372931291.db2.gz HXMKLEIOABDNAP-VIFPVBQESA-N 1 2 263.301 -1.139 20 0 CAADLO C[C@]1(C(=O)NCC[NH+]2CCOCC2)CCNC1=O ZINC000635072323 372936155 /nfs/dbraw/zinc/93/61/55/372936155.db2.gz OYZCZJMQSRFTEH-LBPRGKRZSA-N 1 2 255.318 -1.039 20 0 CAADLO COC(=O)[C@@H](NC(=O)C[N@@H+]1C[C@@H](O)C[C@H]1CO)C(C)C ZINC000562037956 372938459 /nfs/dbraw/zinc/93/84/59/372938459.db2.gz FVSCCDYGAAZDKQ-NHCYSSNCSA-N 1 2 288.344 -1.272 20 0 CAADLO COC(=O)[C@@H](NC(=O)C[N@H+]1C[C@@H](O)C[C@H]1CO)C(C)C ZINC000562037956 372938467 /nfs/dbraw/zinc/93/84/67/372938467.db2.gz FVSCCDYGAAZDKQ-NHCYSSNCSA-N 1 2 288.344 -1.272 20 0 CAADLO C[C@]1(C(=O)N2CC[NH+](CCO)CC2)CCNC1=O ZINC000635249727 372940691 /nfs/dbraw/zinc/94/06/91/372940691.db2.gz YEKICAKOXBXYEV-LBPRGKRZSA-N 1 2 255.318 -1.351 20 0 CAADLO CN1CC[C@@](C)(C(=O)N2CC[NH+](CCO)CC2)C1=O ZINC000635247635 372940894 /nfs/dbraw/zinc/94/08/94/372940894.db2.gz CCQPCGVWRVNQPN-CYBMUJFWSA-N 1 2 269.345 -1.009 20 0 CAADLO COC[C@@H](C)NC(=O)NC(=O)C[NH+]1CC(C)(C(N)=O)C1 ZINC000575284112 372942285 /nfs/dbraw/zinc/94/22/85/372942285.db2.gz ABMOXSRCLMBAPG-MRVPVSSYSA-N 1 2 286.332 -1.346 20 0 CAADLO CC[C@H]1C[N@H+](CCNC(=O)Cn2cnnn2)CCO1 ZINC000564738415 372943717 /nfs/dbraw/zinc/94/37/17/372943717.db2.gz UTEQHFPIAFEWBQ-JTQLQIEISA-N 1 2 268.321 -1.100 20 0 CAADLO CC[C@H]1C[N@@H+](CCNC(=O)Cn2cnnn2)CCO1 ZINC000564738415 372943729 /nfs/dbraw/zinc/94/37/29/372943729.db2.gz UTEQHFPIAFEWBQ-JTQLQIEISA-N 1 2 268.321 -1.100 20 0 CAADLO C[C@H](NC(=O)CN1CC[NH2+]CC1=O)C(=O)N1CCCC1 ZINC000566795383 372944939 /nfs/dbraw/zinc/94/49/39/372944939.db2.gz MPTRIHVROVGCEH-JTQLQIEISA-N 1 2 282.344 -1.455 20 0 CAADLO C[C@@H](NS(C)(=O)=O)C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000141701878 372954139 /nfs/dbraw/zinc/95/41/39/372954139.db2.gz DHFFMZWINQFQPE-VHSXEESVSA-N 1 2 293.389 -1.239 20 0 CAADLO COC(=O)N1CC[NH+](Cc2cn(C)c(=O)n(C)c2=O)CC1 ZINC000092217351 372951335 /nfs/dbraw/zinc/95/13/35/372951335.db2.gz YOIQVSCTAPLYKE-UHFFFAOYSA-N 1 2 296.327 -1.032 20 0 CAADLO CC(=O)NC[C@H]1CCCC[N@@H+]1CC(=O)N1CCNC(=O)C1 ZINC000626154855 372961758 /nfs/dbraw/zinc/96/17/58/372961758.db2.gz YTLQEWGEEVUBFI-GFCCVEGCSA-N 1 2 296.371 -1.065 20 0 CAADLO CC(=O)NC[C@H]1CCCC[N@H+]1CC(=O)N1CCNC(=O)C1 ZINC000626154855 372961763 /nfs/dbraw/zinc/96/17/63/372961763.db2.gz YTLQEWGEEVUBFI-GFCCVEGCSA-N 1 2 296.371 -1.065 20 0 CAADLO CC(C)(C(N)=O)[NH+]1CCN(C(=O)[C@@]2(C)CCNC2=O)CC1 ZINC000635626495 372962604 /nfs/dbraw/zinc/96/26/04/372962604.db2.gz PJRLKSSGLMYPPV-AWEZNQCLSA-N 1 2 296.371 -1.079 20 0 CAADLO COCC(COC)[NH+]1CCN(C(=O)C(N)=O)CC1 ZINC000636021902 372981024 /nfs/dbraw/zinc/98/10/24/372981024.db2.gz HCHUYVSUGMQJCC-UHFFFAOYSA-N 1 2 259.306 -1.723 20 0 CAADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@@]1(C)CCNC1=O ZINC000635658264 372964505 /nfs/dbraw/zinc/96/45/05/372964505.db2.gz FAYORLWKBNLMSV-FZMZJTMJSA-N 1 2 299.371 -1.336 20 0 CAADLO C[C@@]1(C(=O)N(CCO)CC[NH+]2CCOCC2)CCNC1=O ZINC000635713868 372966455 /nfs/dbraw/zinc/96/64/55/372966455.db2.gz MLGHNNKZQBEBLA-CQSZACIVSA-N 1 2 299.371 -1.334 20 0 CAADLO O=C([C@H](O)C1CCOCC1)N1CC[NH+](CCO)CC1 ZINC000574896518 372967132 /nfs/dbraw/zinc/96/71/32/372967132.db2.gz WZPVOJPJZAGBJZ-GFCCVEGCSA-N 1 2 272.345 -1.090 20 0 CAADLO C[C@]1(C(=O)N(CCO)CC[NH+]2CCOCC2)CCNC1=O ZINC000635713859 372967165 /nfs/dbraw/zinc/96/71/65/372967165.db2.gz MLGHNNKZQBEBLA-AWEZNQCLSA-N 1 2 299.371 -1.334 20 0 CAADLO CCc1c[nH]c(CC(=O)N[C@H]2CN(C)NC2=O)[nH+]1 ZINC000635765458 372969395 /nfs/dbraw/zinc/96/93/95/372969395.db2.gz CWGGYYNWTNWSOA-QMMMGPOBSA-N 1 2 251.290 -1.024 20 0 CAADLO Cn1cnc(C(=O)N[C@H](CO)C[NH+]2CCOCC2)cc1=O ZINC000635893932 372974255 /nfs/dbraw/zinc/97/42/55/372974255.db2.gz WNKXEUFOWSBNBQ-JTQLQIEISA-N 1 2 296.327 -1.797 20 0 CAADLO O=C(N[C@H](CO)C[NH+]1CCOCC1)[C@H]1C[C@@H](O)C1 ZINC000635893309 372975068 /nfs/dbraw/zinc/97/50/68/372975068.db2.gz PWTZZYBLSXLRKP-GARJFASQSA-N 1 2 258.318 -1.433 20 0 CAADLO C[NH+](C)C[C@H](CO)NC(=O)C[C@@H]1CCCS1(=O)=O ZINC000635928516 372976830 /nfs/dbraw/zinc/97/68/30/372976830.db2.gz IBMJTXXELQRFCG-ZJUUUORDSA-N 1 2 278.374 -1.008 20 0 CAADLO Cn1c2[nH]c(C[N@@H+]3CC[C@H](O)C3)nc2c(=O)n(C)c1=O ZINC000093208160 372954217 /nfs/dbraw/zinc/95/42/17/372954217.db2.gz DETXFNLQPQUOFV-ZETCQYMHSA-N 1 2 279.300 -1.473 20 0 CAADLO Cn1c2[nH]c(C[N@H+]3CC[C@H](O)C3)nc2c(=O)n(C)c1=O ZINC000093208160 372954226 /nfs/dbraw/zinc/95/42/26/372954226.db2.gz DETXFNLQPQUOFV-ZETCQYMHSA-N 1 2 279.300 -1.473 20 0 CAADLO CC[C@@H](CO)[NH+]1CCN(Cc2n[nH]c(=O)[nH]2)CC1 ZINC000092618898 372954380 /nfs/dbraw/zinc/95/43/80/372954380.db2.gz LELAENDRWIQKFC-VIFPVBQESA-N 1 2 255.322 -1.014 20 0 CAADLO Cn1c2[nH]c(C[N@@H+]3CC[C@@H](O)C3)nc2c(=O)n(C)c1=O ZINC000093208161 372955100 /nfs/dbraw/zinc/95/51/00/372955100.db2.gz DETXFNLQPQUOFV-SSDOTTSWSA-N 1 2 279.300 -1.473 20 0 CAADLO Cn1c2[nH]c(C[N@H+]3CC[C@@H](O)C3)nc2c(=O)n(C)c1=O ZINC000093208161 372955103 /nfs/dbraw/zinc/95/51/03/372955103.db2.gz DETXFNLQPQUOFV-SSDOTTSWSA-N 1 2 279.300 -1.473 20 0 CAADLO COCCCNC(=O)C[N@H+](C)[C@H](C)C(=O)NC(N)=O ZINC000198742828 372957046 /nfs/dbraw/zinc/95/70/46/372957046.db2.gz QVRVUDOBOIMDQE-MRVPVSSYSA-N 1 2 274.321 -1.346 20 0 CAADLO COCCCNC(=O)C[N@@H+](C)[C@H](C)C(=O)NC(N)=O ZINC000198742828 372957054 /nfs/dbraw/zinc/95/70/54/372957054.db2.gz QVRVUDOBOIMDQE-MRVPVSSYSA-N 1 2 274.321 -1.346 20 0 CAADLO CC(C)C(=O)NCCN(C)C(=O)CN1CC[NH2+]CC1=O ZINC000570329862 372993081 /nfs/dbraw/zinc/99/30/81/372993081.db2.gz OVHJWEIYNJWDDE-UHFFFAOYSA-N 1 2 284.360 -1.351 20 0 CAADLO CNC(=O)[C@@H]1CCC[N@@H+]1CC(=O)N[C@@H](C)C(=O)N(C)C ZINC000249752005 373010994 /nfs/dbraw/zinc/01/09/94/373010994.db2.gz RGARVYFPZQTEAG-UWVGGRQHSA-N 1 2 284.360 -1.210 20 0 CAADLO CNC(=O)[C@@H]1CCC[N@H+]1CC(=O)N[C@@H](C)C(=O)N(C)C ZINC000249752005 373010999 /nfs/dbraw/zinc/01/09/99/373010999.db2.gz RGARVYFPZQTEAG-UWVGGRQHSA-N 1 2 284.360 -1.210 20 0 CAADLO CC(=O)NCC[N@@H+](C)CC(=O)N1CCNC(=O)C1 ZINC000570448885 372995287 /nfs/dbraw/zinc/99/52/87/372995287.db2.gz WXALDIHKCAIGBD-UHFFFAOYSA-N 1 2 256.306 -1.987 20 0 CAADLO CC(=O)NCC[N@H+](C)CC(=O)N1CCNC(=O)C1 ZINC000570448885 372995298 /nfs/dbraw/zinc/99/52/98/372995298.db2.gz WXALDIHKCAIGBD-UHFFFAOYSA-N 1 2 256.306 -1.987 20 0 CAADLO C[C@@H]1CN(C(=O)C2(S(N)(=O)=O)CC2)CC[N@@H+]1CCO ZINC000570806346 373001627 /nfs/dbraw/zinc/00/16/27/373001627.db2.gz BAKDQQUWSRADLN-SECBINFHSA-N 1 2 291.373 -1.668 20 0 CAADLO C[C@@H]1CN(C(=O)C2(S(N)(=O)=O)CC2)CC[N@H+]1CCO ZINC000570806346 373001637 /nfs/dbraw/zinc/00/16/37/373001637.db2.gz BAKDQQUWSRADLN-SECBINFHSA-N 1 2 291.373 -1.668 20 0 CAADLO Cn1ccc(C[NH2+][C@@H]2CC(=O)N(CCOCCO)C2=O)n1 ZINC000570859755 373003889 /nfs/dbraw/zinc/00/38/89/373003889.db2.gz GKLXIPRYNJNZLJ-LLVKDONJSA-N 1 2 296.327 -1.354 20 0 CAADLO CN1CCOC[C@@H]1C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000332774148 373007963 /nfs/dbraw/zinc/00/79/63/373007963.db2.gz KUYFALPVFFURPM-WDEREUQCSA-N 1 2 257.334 -1.236 20 0 CAADLO CN1CCOC[C@@H]1C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000332774148 373007972 /nfs/dbraw/zinc/00/79/72/373007972.db2.gz KUYFALPVFFURPM-WDEREUQCSA-N 1 2 257.334 -1.236 20 0 CAADLO C[N@@H+]1CCO[C@@H](CNC(=O)NC[C@]2(O)CCOC2)C1 ZINC000332747809 373008628 /nfs/dbraw/zinc/00/86/28/373008628.db2.gz TYEXUXGGLHLYGQ-CMPLNLGQSA-N 1 2 273.333 -1.232 20 0 CAADLO C[N@H+]1CCO[C@@H](CNC(=O)NC[C@]2(O)CCOC2)C1 ZINC000332747809 373008633 /nfs/dbraw/zinc/00/86/33/373008633.db2.gz TYEXUXGGLHLYGQ-CMPLNLGQSA-N 1 2 273.333 -1.232 20 0 CAADLO CNC(=O)[C@@H]1CCC[N@@H+]1CC(=O)N[C@H](C)C(=O)N(C)C ZINC000249752009 373009626 /nfs/dbraw/zinc/00/96/26/373009626.db2.gz RGARVYFPZQTEAG-ZJUUUORDSA-N 1 2 284.360 -1.210 20 0 CAADLO CNC(=O)[C@@H]1CCC[N@H+]1CC(=O)N[C@H](C)C(=O)N(C)C ZINC000249752009 373009636 /nfs/dbraw/zinc/00/96/36/373009636.db2.gz RGARVYFPZQTEAG-ZJUUUORDSA-N 1 2 284.360 -1.210 20 0 CAADLO C[N@@H+]1CCO[C@H](CS(=O)(=O)NCC(C)(CO)CO)C1 ZINC000632367875 372986216 /nfs/dbraw/zinc/98/62/16/372986216.db2.gz YBHMRQUZZNSCNQ-JTQLQIEISA-N 1 2 296.389 -1.773 20 0 CAADLO C[N@H+]1CCO[C@H](CS(=O)(=O)NCC(C)(CO)CO)C1 ZINC000632367875 372986222 /nfs/dbraw/zinc/98/62/22/372986222.db2.gz YBHMRQUZZNSCNQ-JTQLQIEISA-N 1 2 296.389 -1.773 20 0 CAADLO C[N@@H+]1CCO[C@@H](CS(=O)(=O)N2CCOC[C@@H](O)C2)C1 ZINC000632390657 372988177 /nfs/dbraw/zinc/98/81/77/372988177.db2.gz GNLKDELNYPSTMD-WDEREUQCSA-N 1 2 294.373 -1.660 20 0 CAADLO C[N@H+]1CCO[C@@H](CS(=O)(=O)N2CCOC[C@@H](O)C2)C1 ZINC000632390657 372988183 /nfs/dbraw/zinc/98/81/83/372988183.db2.gz GNLKDELNYPSTMD-WDEREUQCSA-N 1 2 294.373 -1.660 20 0 CAADLO CCS(=O)(=O)NCC[N@@H+]1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000363890224 373029178 /nfs/dbraw/zinc/02/91/78/373029178.db2.gz CGNFQDJAHPFLFG-BDAKNGLRSA-N 1 2 279.362 -1.500 20 0 CAADLO CCS(=O)(=O)NCC[N@H+]1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000363890224 373029189 /nfs/dbraw/zinc/02/91/89/373029189.db2.gz CGNFQDJAHPFLFG-BDAKNGLRSA-N 1 2 279.362 -1.500 20 0 CAADLO COC(=O)CN(C)S(=O)(=O)C[C@H]1C[N@H+](C)CCO1 ZINC000601298591 373030022 /nfs/dbraw/zinc/03/00/22/373030022.db2.gz CXAMMWKWBWZCRE-SECBINFHSA-N 1 2 280.346 -1.248 20 0 CAADLO COC(=O)CN(C)S(=O)(=O)C[C@H]1C[N@@H+](C)CCO1 ZINC000601298591 373030029 /nfs/dbraw/zinc/03/00/29/373030029.db2.gz CXAMMWKWBWZCRE-SECBINFHSA-N 1 2 280.346 -1.248 20 0 CAADLO CCOC(=O)CNS(=O)(=O)C[C@H]1C[N@H+](C)CCO1 ZINC000601343331 373031303 /nfs/dbraw/zinc/03/13/03/373031303.db2.gz MZZJHVHLGWWUHJ-SECBINFHSA-N 1 2 280.346 -1.201 20 0 CAADLO CCOC(=O)CNS(=O)(=O)C[C@H]1C[N@@H+](C)CCO1 ZINC000601343331 373031310 /nfs/dbraw/zinc/03/13/10/373031310.db2.gz MZZJHVHLGWWUHJ-SECBINFHSA-N 1 2 280.346 -1.201 20 0 CAADLO COC(=O)[C@H](C)NS(=O)(=O)C[C@@H]1C[N@H+](C)CCO1 ZINC000601299922 373031629 /nfs/dbraw/zinc/03/16/29/373031629.db2.gz RGIYJNFYFLLGJG-IUCAKERBSA-N 1 2 280.346 -1.202 20 0 CAADLO COC(=O)[C@H](C)NS(=O)(=O)C[C@@H]1C[N@@H+](C)CCO1 ZINC000601299922 373031638 /nfs/dbraw/zinc/03/16/38/373031638.db2.gz RGIYJNFYFLLGJG-IUCAKERBSA-N 1 2 280.346 -1.202 20 0 CAADLO COC(=O)CCNS(=O)(=O)C[C@@H]1C[N@H+](C)CCO1 ZINC000601300009 373032754 /nfs/dbraw/zinc/03/27/54/373032754.db2.gz TUFBPGUQHOXCFY-VIFPVBQESA-N 1 2 280.346 -1.201 20 0 CAADLO COC(=O)CCNS(=O)(=O)C[C@@H]1C[N@@H+](C)CCO1 ZINC000601300009 373032758 /nfs/dbraw/zinc/03/27/58/373032758.db2.gz TUFBPGUQHOXCFY-VIFPVBQESA-N 1 2 280.346 -1.201 20 0 CAADLO CC(C)C[N@H+](CC(N)=O)CC(=O)N1CCNC(=O)C1 ZINC000026126846 373032853 /nfs/dbraw/zinc/03/28/53/373032853.db2.gz WFMDIYISFHBONT-UHFFFAOYSA-N 1 2 270.333 -1.612 20 0 CAADLO CC(C)C[N@@H+](CC(N)=O)CC(=O)N1CCNC(=O)C1 ZINC000026126846 373032864 /nfs/dbraw/zinc/03/28/64/373032864.db2.gz WFMDIYISFHBONT-UHFFFAOYSA-N 1 2 270.333 -1.612 20 0 CAADLO COC(=O)[C@@H](CO)NS(=O)(=O)CC1([NH+](C)C)CC1 ZINC000601384588 373034961 /nfs/dbraw/zinc/03/49/61/373034961.db2.gz CVAXCQSAXWXJTF-MRVPVSSYSA-N 1 2 280.346 -1.466 20 0 CAADLO CCS(=O)(=O)NCC[N@@H+]1CCC[C@@H](S(N)(=O)=O)C1 ZINC000364111072 373035494 /nfs/dbraw/zinc/03/54/94/373035494.db2.gz STMCSYPTELEJRI-SECBINFHSA-N 1 2 299.418 -1.321 20 0 CAADLO CCS(=O)(=O)NCC[N@H+]1CCC[C@@H](S(N)(=O)=O)C1 ZINC000364111072 373035499 /nfs/dbraw/zinc/03/54/99/373035499.db2.gz STMCSYPTELEJRI-SECBINFHSA-N 1 2 299.418 -1.321 20 0 CAADLO CC[N@@H+]1CCOC[C@H]1C(=O)N1CC(C(=O)NC)C1 ZINC000364242783 373037234 /nfs/dbraw/zinc/03/72/34/373037234.db2.gz BDVHIZSZTFQDOV-JTQLQIEISA-N 1 2 255.318 -1.089 20 0 CAADLO CC[N@H+]1CCOC[C@H]1C(=O)N1CC(C(=O)NC)C1 ZINC000364242783 373037241 /nfs/dbraw/zinc/03/72/41/373037241.db2.gz BDVHIZSZTFQDOV-JTQLQIEISA-N 1 2 255.318 -1.089 20 0 CAADLO COCCN(CC(=O)OC)C(=O)CN1CC[NH2+]CC1=O ZINC000580713028 373012407 /nfs/dbraw/zinc/01/24/07/373012407.db2.gz OKBXYSRPUZEFKH-UHFFFAOYSA-N 1 2 287.316 -1.934 20 0 CAADLO CN1CCOC[C@H]1CNC(=O)C(=O)NCCn1cc[nH+]c1 ZINC000636467554 373012630 /nfs/dbraw/zinc/01/26/30/373012630.db2.gz NAMZIMIALVOWMH-LLVKDONJSA-N 1 2 295.343 -1.554 20 0 CAADLO O=C(NC1CC1)C(=O)N1CC[NH+](CCn2cncn2)CC1 ZINC000589150645 373015144 /nfs/dbraw/zinc/01/51/44/373015144.db2.gz RCYVLDDUQXCFFT-UHFFFAOYSA-N 1 2 292.343 -1.299 20 0 CAADLO COC[C@]1(C)C[N@H+](CC(=O)N2CCNC(=O)C2)CCO1 ZINC000626172166 373016797 /nfs/dbraw/zinc/01/67/97/373016797.db2.gz RXQWYUYOWYOJPN-ZDUSSCGKSA-N 1 2 285.344 -1.318 20 0 CAADLO COC[C@]1(C)C[N@@H+](CC(=O)N2CCNC(=O)C2)CCO1 ZINC000626172166 373016806 /nfs/dbraw/zinc/01/68/06/373016806.db2.gz RXQWYUYOWYOJPN-ZDUSSCGKSA-N 1 2 285.344 -1.318 20 0 CAADLO COC(=O)CCCS(=O)(=O)N1CC[N@H+](C)C[C@@H]1CO ZINC000601468623 373039386 /nfs/dbraw/zinc/03/93/86/373039386.db2.gz DVHPVBJCOWQERR-SNVBAGLBSA-N 1 2 294.373 -1.122 20 0 CAADLO COC(=O)CCCS(=O)(=O)N1CC[N@@H+](C)C[C@@H]1CO ZINC000601468623 373039391 /nfs/dbraw/zinc/03/93/91/373039391.db2.gz DVHPVBJCOWQERR-SNVBAGLBSA-N 1 2 294.373 -1.122 20 0 CAADLO CC(C)C[N@H+](CCNS(C)(=O)=O)CC(N)=O ZINC000107298514 373024592 /nfs/dbraw/zinc/02/45/92/373024592.db2.gz RVKYKNQDUULJTN-UHFFFAOYSA-N 1 2 251.352 -1.021 20 0 CAADLO CC(C)C[N@@H+](CCNS(C)(=O)=O)CC(N)=O ZINC000107298514 373024599 /nfs/dbraw/zinc/02/45/99/373024599.db2.gz RVKYKNQDUULJTN-UHFFFAOYSA-N 1 2 251.352 -1.021 20 0 CAADLO C[C@H](C[NH+]1CCOCC1)NC(=O)CN1CC(=O)N(C)C1=O ZINC000624139329 373024776 /nfs/dbraw/zinc/02/47/76/373024776.db2.gz JNZCQQFILNECLJ-SNVBAGLBSA-N 1 2 298.343 -1.283 20 0 CAADLO O=C(CN1CSCC1=O)NCC[NH+]1CCOCC1 ZINC000198350268 373052523 /nfs/dbraw/zinc/05/25/23/373052523.db2.gz NREVTIQYMCPASG-UHFFFAOYSA-N 1 2 273.358 -1.032 20 0 CAADLO C[C@H]1COCC[N@@H+]1CCNC(=O)NCCS(N)(=O)=O ZINC000591564692 373054012 /nfs/dbraw/zinc/05/40/12/373054012.db2.gz APWVFCZYDBZVIO-VIFPVBQESA-N 1 2 294.377 -1.705 20 0 CAADLO C[C@H]1COCC[N@H+]1CCNC(=O)NCCS(N)(=O)=O ZINC000591564692 373054016 /nfs/dbraw/zinc/05/40/16/373054016.db2.gz APWVFCZYDBZVIO-VIFPVBQESA-N 1 2 294.377 -1.705 20 0 CAADLO CNC(=O)NC(=O)[C@H](C)[N@H+](C)CC(=O)NCCCOC ZINC000198741520 373055713 /nfs/dbraw/zinc/05/57/13/373055713.db2.gz YTYLOZKRIQOKEA-VIFPVBQESA-N 1 2 288.348 -1.085 20 0 CAADLO CNC(=O)NC(=O)[C@H](C)[N@@H+](C)CC(=O)NCCCOC ZINC000198741520 373055719 /nfs/dbraw/zinc/05/57/19/373055719.db2.gz YTYLOZKRIQOKEA-VIFPVBQESA-N 1 2 288.348 -1.085 20 0 CAADLO C[N@@H+]1CCO[C@H](CS(=O)(=O)N2CC(C)(CO)C2)C1 ZINC000632415027 373062036 /nfs/dbraw/zinc/06/20/36/373062036.db2.gz QPBBPAQGBGJMNQ-JTQLQIEISA-N 1 2 278.374 -1.039 20 0 CAADLO C[N@H+]1CCO[C@H](CS(=O)(=O)N2CC(C)(CO)C2)C1 ZINC000632415027 373062043 /nfs/dbraw/zinc/06/20/43/373062043.db2.gz QPBBPAQGBGJMNQ-JTQLQIEISA-N 1 2 278.374 -1.039 20 0 CAADLO C[N@@H+]1CCO[C@@H](CS(=O)(=O)N2CC(C)(CO)C2)C1 ZINC000632415028 373062350 /nfs/dbraw/zinc/06/23/50/373062350.db2.gz QPBBPAQGBGJMNQ-SNVBAGLBSA-N 1 2 278.374 -1.039 20 0 CAADLO C[N@H+]1CCO[C@@H](CS(=O)(=O)N2CC(C)(CO)C2)C1 ZINC000632415028 373062362 /nfs/dbraw/zinc/06/23/62/373062362.db2.gz QPBBPAQGBGJMNQ-SNVBAGLBSA-N 1 2 278.374 -1.039 20 0 CAADLO COC(=O)CNC(=O)C[N@@H+]1C[C@@H](O)C[C@H](C(=O)OC)C1 ZINC000592196124 373063807 /nfs/dbraw/zinc/06/38/07/373063807.db2.gz AFDRIXNVMVQGTG-IUCAKERBSA-N 1 2 288.300 -1.869 20 0 CAADLO COC(=O)CNC(=O)C[N@H+]1C[C@@H](O)C[C@H](C(=O)OC)C1 ZINC000592196124 373063811 /nfs/dbraw/zinc/06/38/11/373063811.db2.gz AFDRIXNVMVQGTG-IUCAKERBSA-N 1 2 288.300 -1.869 20 0 CAADLO COC(=O)[C@@H]1C[C@@H](O)C[N@H+](CC(=O)N2CCNC(=O)C2)C1 ZINC000592209096 373066396 /nfs/dbraw/zinc/06/63/96/373066396.db2.gz QYALETSCNWBPRK-NXEZZACHSA-N 1 2 299.327 -2.199 20 0 CAADLO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+](CC(=O)N2CCNC(=O)C2)C1 ZINC000592209096 373066403 /nfs/dbraw/zinc/06/64/03/373066403.db2.gz QYALETSCNWBPRK-NXEZZACHSA-N 1 2 299.327 -2.199 20 0 CAADLO COC(=O)[C@@H]1C[C@H](O)C[N@H+](CC(=O)NC(N)=O)C1 ZINC000592210082 373067051 /nfs/dbraw/zinc/06/70/51/373067051.db2.gz UUXYXVUYJXOSGH-RQJHMYQMSA-N 1 2 259.262 -1.963 20 0 CAADLO COC(=O)[C@@H]1C[C@H](O)C[N@@H+](CC(=O)NC(N)=O)C1 ZINC000592210082 373067056 /nfs/dbraw/zinc/06/70/56/373067056.db2.gz UUXYXVUYJXOSGH-RQJHMYQMSA-N 1 2 259.262 -1.963 20 0 CAADLO COC(=O)[C@@H]1C[C@@H](O)C[N@H+](CC(=O)NC(=O)NC2CC2)C1 ZINC000592204961 373067136 /nfs/dbraw/zinc/06/71/36/373067136.db2.gz BRGCEORUTGIJCN-PSASIEDQSA-N 1 2 299.327 -1.170 20 0 CAADLO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+](CC(=O)NC(=O)NC2CC2)C1 ZINC000592204961 373067141 /nfs/dbraw/zinc/06/71/41/373067141.db2.gz BRGCEORUTGIJCN-PSASIEDQSA-N 1 2 299.327 -1.170 20 0 CAADLO CNC(=O)NC(=O)C[N@@H+]1C[C@H](O)C[C@@H](C(=O)OC)C1 ZINC000592206022 373067777 /nfs/dbraw/zinc/06/77/77/373067777.db2.gz FKPZOJRVVJDOGO-HTQZYQBOSA-N 1 2 273.289 -1.702 20 0 CAADLO CNC(=O)NC(=O)C[N@H+]1C[C@H](O)C[C@@H](C(=O)OC)C1 ZINC000592206022 373067781 /nfs/dbraw/zinc/06/77/81/373067781.db2.gz FKPZOJRVVJDOGO-HTQZYQBOSA-N 1 2 273.289 -1.702 20 0 CAADLO Nc1cc(CN2CCN(S(N)(=O)=O)CC2)cc[nH+]1 ZINC000191490030 373041126 /nfs/dbraw/zinc/04/11/26/373041126.db2.gz SBMYTJMRKUDQRQ-UHFFFAOYSA-N 1 2 271.346 -1.015 20 0 CAADLO C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@@H]1COC[C@@H]1O ZINC000636558700 373043258 /nfs/dbraw/zinc/04/32/58/373043258.db2.gz ZUNPLFYPVVOTLV-MXWKQRLJSA-N 1 2 273.333 -1.234 20 0 CAADLO COC(=O)CNC(=O)C[N@@H+]1C[C@@H]2C[C@H]1C[S@]2=O ZINC000593099201 373086548 /nfs/dbraw/zinc/08/65/48/373086548.db2.gz FIXLFODDGAOBDN-GBHNPRDJSA-N 1 2 260.315 -1.519 20 0 CAADLO COC(=O)CNC(=O)C[N@H+]1C[C@@H]2C[C@H]1C[S@]2=O ZINC000593099201 373086565 /nfs/dbraw/zinc/08/65/65/373086565.db2.gz FIXLFODDGAOBDN-GBHNPRDJSA-N 1 2 260.315 -1.519 20 0 CAADLO O=C(C[N@@H+]1C[C@@H]2C[C@H]1C[S@]2=O)N1CCNC(=O)C1 ZINC000593092738 373086859 /nfs/dbraw/zinc/08/68/59/373086859.db2.gz CJCWJQHINZVDMI-VXAXSWHGSA-N 1 2 271.342 -1.850 20 0 CAADLO O=C(C[N@H+]1C[C@@H]2C[C@H]1C[S@]2=O)N1CCNC(=O)C1 ZINC000593092738 373086873 /nfs/dbraw/zinc/08/68/73/373086873.db2.gz CJCWJQHINZVDMI-VXAXSWHGSA-N 1 2 271.342 -1.850 20 0 CAADLO COC(=O)[C@@H]1C[N@H+](CCCS(N)(=O)=O)C[C@H](C)O1 ZINC000593087099 373087186 /nfs/dbraw/zinc/08/71/86/373087186.db2.gz JYNDTDOWSJCLRY-IUCAKERBSA-N 1 2 280.346 -1.073 20 0 CAADLO COC(=O)[C@@H]1C[N@@H+](CCCS(N)(=O)=O)C[C@H](C)O1 ZINC000593087099 373087198 /nfs/dbraw/zinc/08/71/98/373087198.db2.gz JYNDTDOWSJCLRY-IUCAKERBSA-N 1 2 280.346 -1.073 20 0 CAADLO COC(=O)C[C@@H]1C(=O)NCC[N@H+]1C[C@@H]1CCC(=O)N1 ZINC000592997927 373087226 /nfs/dbraw/zinc/08/72/26/373087226.db2.gz VTGUZZKZRYRHML-DTWKUNHWSA-N 1 2 269.301 -1.372 20 0 CAADLO COC(=O)C[C@@H]1C(=O)NCC[N@@H+]1C[C@@H]1CCC(=O)N1 ZINC000592997927 373087238 /nfs/dbraw/zinc/08/72/38/373087238.db2.gz VTGUZZKZRYRHML-DTWKUNHWSA-N 1 2 269.301 -1.372 20 0 CAADLO CS(=O)(=O)NCC[N@@H+]1C[C@@H]2C[C@H]1C[S@]2=O ZINC000593097593 373087571 /nfs/dbraw/zinc/08/75/71/373087571.db2.gz NZFSWOCMEKMXMQ-RDOZXCAGSA-N 1 2 252.361 -1.259 20 0 CAADLO CS(=O)(=O)NCC[N@H+]1C[C@@H]2C[C@H]1C[S@]2=O ZINC000593097593 373087578 /nfs/dbraw/zinc/08/75/78/373087578.db2.gz NZFSWOCMEKMXMQ-RDOZXCAGSA-N 1 2 252.361 -1.259 20 0 CAADLO COC(=O)[C@@H]1CN(C)CC[N@H+](CCN2C(=O)CNC2=O)C1 ZINC000595533542 373117327 /nfs/dbraw/zinc/11/73/27/373117327.db2.gz AZAHYPKSJWKDJY-SNVBAGLBSA-N 1 2 298.343 -1.425 20 0 CAADLO COC(=O)[C@@H]1CN(C)CC[N@@H+](CCN2C(=O)CNC2=O)C1 ZINC000595533542 373117336 /nfs/dbraw/zinc/11/73/36/373117336.db2.gz AZAHYPKSJWKDJY-SNVBAGLBSA-N 1 2 298.343 -1.425 20 0 CAADLO CN1C[C@H](NC(=O)N2C[C@H]3OCC[N@H+](C)[C@@H]3C2)CC1=O ZINC000332930494 373095779 /nfs/dbraw/zinc/09/57/79/373095779.db2.gz CTRJGWPOEUZPTC-GMTAPVOTSA-N 1 2 282.344 -1.059 20 0 CAADLO CN1C[C@H](NC(=O)N2C[C@H]3OCC[N@@H+](C)[C@@H]3C2)CC1=O ZINC000332930494 373095786 /nfs/dbraw/zinc/09/57/86/373095786.db2.gz CTRJGWPOEUZPTC-GMTAPVOTSA-N 1 2 282.344 -1.059 20 0 CAADLO C[C@@H](C(=O)NC(N)=O)[NH+]1CCN(c2nncn2C)CC1 ZINC000594022347 373098518 /nfs/dbraw/zinc/09/85/18/373098518.db2.gz FPUYVXCUZRWLFN-QMMMGPOBSA-N 1 2 281.320 -1.480 20 0 CAADLO CNC(=O)NC(=O)[C@@H](C)[NH+]1CCN(c2nncn2C)CC1 ZINC000594026497 373098809 /nfs/dbraw/zinc/09/88/09/373098809.db2.gz KTTQRHLPQAJVNQ-SECBINFHSA-N 1 2 295.347 -1.219 20 0 CAADLO COC(=O)[C@H]1CN(C)CC[N@H+](CCN2C(=O)CNC2=O)C1 ZINC000595533539 373117738 /nfs/dbraw/zinc/11/77/38/373117738.db2.gz AZAHYPKSJWKDJY-JTQLQIEISA-N 1 2 298.343 -1.425 20 0 CAADLO COC(=O)[C@H]1CN(C)CC[N@@H+](CCN2C(=O)CNC2=O)C1 ZINC000595533539 373117744 /nfs/dbraw/zinc/11/77/44/373117744.db2.gz AZAHYPKSJWKDJY-JTQLQIEISA-N 1 2 298.343 -1.425 20 0 CAADLO COC(=O)CNC(=O)CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000594350231 373100427 /nfs/dbraw/zinc/10/04/27/373100427.db2.gz SKFKMAYXBGJPOU-VIFPVBQESA-N 1 2 294.311 -1.149 20 0 CAADLO COC(=O)CCN1CC[C@@H]([N@H+](C)CC(N)=O)C1=O ZINC000595297280 373112006 /nfs/dbraw/zinc/11/20/06/373112006.db2.gz LFSSKGGCNMNBME-MRVPVSSYSA-N 1 2 257.290 -1.433 20 0 CAADLO COC(=O)CCN1CC[C@@H]([N@@H+](C)CC(N)=O)C1=O ZINC000595297280 373112017 /nfs/dbraw/zinc/11/20/17/373112017.db2.gz LFSSKGGCNMNBME-MRVPVSSYSA-N 1 2 257.290 -1.433 20 0 CAADLO COC(=O)CCN1CC[C@H]([N@H+](C)CC(N)=O)C1=O ZINC000595297282 373112338 /nfs/dbraw/zinc/11/23/38/373112338.db2.gz LFSSKGGCNMNBME-QMMMGPOBSA-N 1 2 257.290 -1.433 20 0 CAADLO COC(=O)CCN1CC[C@H]([N@@H+](C)CC(N)=O)C1=O ZINC000595297282 373112345 /nfs/dbraw/zinc/11/23/45/373112345.db2.gz LFSSKGGCNMNBME-QMMMGPOBSA-N 1 2 257.290 -1.433 20 0 CAADLO COC(=O)CC[C@H](C(=O)OC)[N@H+]1C[C@H](O)C[C@H](O)C1 ZINC000595338021 373112507 /nfs/dbraw/zinc/11/25/07/373112507.db2.gz OLVWLBRRZKZORM-KXUCPTDWSA-N 1 2 275.301 -1.091 20 0 CAADLO COC(=O)CC[C@H](C(=O)OC)[N@@H+]1C[C@H](O)C[C@H](O)C1 ZINC000595338021 373112512 /nfs/dbraw/zinc/11/25/12/373112512.db2.gz OLVWLBRRZKZORM-KXUCPTDWSA-N 1 2 275.301 -1.091 20 0 CAADLO COC(=O)CCN1CC[C@H]([N@@H+]2CCO[C@@H](C(N)=O)C2)C1=O ZINC000595297871 373112876 /nfs/dbraw/zinc/11/28/76/373112876.db2.gz JTKFTJSZFHJDDS-VHSXEESVSA-N 1 2 299.327 -1.664 20 0 CAADLO COC(=O)CCN1CC[C@H]([N@H+]2CCO[C@@H](C(N)=O)C2)C1=O ZINC000595297871 373112879 /nfs/dbraw/zinc/11/28/79/373112879.db2.gz JTKFTJSZFHJDDS-VHSXEESVSA-N 1 2 299.327 -1.664 20 0 CAADLO COC(=O)CCN1CC[C@@H]([N@@H+]2CCO[C@@H](C(N)=O)C2)C1=O ZINC000595297869 373112913 /nfs/dbraw/zinc/11/29/13/373112913.db2.gz JTKFTJSZFHJDDS-NXEZZACHSA-N 1 2 299.327 -1.664 20 0 CAADLO COC(=O)CCN1CC[C@@H]([N@H+]2CCO[C@@H](C(N)=O)C2)C1=O ZINC000595297869 373112919 /nfs/dbraw/zinc/11/29/19/373112919.db2.gz JTKFTJSZFHJDDS-NXEZZACHSA-N 1 2 299.327 -1.664 20 0 CAADLO COC(=O)CNC(=O)CN1CCn2c[nH+]cc2C1 ZINC000595496185 373115370 /nfs/dbraw/zinc/11/53/70/373115370.db2.gz XZERVZYTZMBCJR-UHFFFAOYSA-N 1 2 252.274 -1.012 20 0 CAADLO CCNC(=O)C[N@H+](C)CCNS(=O)(=O)CC ZINC000597964185 373159264 /nfs/dbraw/zinc/15/92/64/373159264.db2.gz UHWMNNNNYFDKTR-UHFFFAOYSA-N 1 2 251.352 -1.006 20 0 CAADLO CCNC(=O)C[N@@H+](C)CCNS(=O)(=O)CC ZINC000597964185 373159277 /nfs/dbraw/zinc/15/92/77/373159277.db2.gz UHWMNNNNYFDKTR-UHFFFAOYSA-N 1 2 251.352 -1.006 20 0 CAADLO CCOC(=O)C1(O)CC[NH+](CCS(=O)(=O)NC)CC1 ZINC000598592019 373161677 /nfs/dbraw/zinc/16/16/77/373161677.db2.gz DUQMRDYNXYZNQS-UHFFFAOYSA-N 1 2 294.373 -1.074 20 0 CAADLO CN1CCC[C@H]([N@@H+]2CCN3C(=O)NC(=O)[C@H]3C2)C1=O ZINC000540912183 373162599 /nfs/dbraw/zinc/16/25/99/373162599.db2.gz ZVWCSBLCOOKZED-DTWKUNHWSA-N 1 2 266.301 -1.157 20 0 CAADLO CN1CCC[C@H]([N@H+]2CCN3C(=O)NC(=O)[C@H]3C2)C1=O ZINC000540912183 373162605 /nfs/dbraw/zinc/16/26/05/373162605.db2.gz ZVWCSBLCOOKZED-DTWKUNHWSA-N 1 2 266.301 -1.157 20 0 CAADLO COC(=O)[C@@H]1C[C@H](N2C(=O)CNC2=O)C[N@@H+]1C[C@H](C)CO ZINC000598639229 373163421 /nfs/dbraw/zinc/16/34/21/373163421.db2.gz NIEGIZKGANMCRV-GUBZILKMSA-N 1 2 299.327 -1.218 20 0 CAADLO COC(=O)[C@@H]1C[C@H](N2C(=O)CNC2=O)C[N@H+]1C[C@H](C)CO ZINC000598639229 373163428 /nfs/dbraw/zinc/16/34/28/373163428.db2.gz NIEGIZKGANMCRV-GUBZILKMSA-N 1 2 299.327 -1.218 20 0 CAADLO CC[C@@H](O)C[N@@H+]1C[C@@H](N2C(=O)CNC2=O)C[C@H]1C(=O)OC ZINC000598640813 373165125 /nfs/dbraw/zinc/16/51/25/373165125.db2.gz SSUBMDXKZGIVJE-AEJSXWLSSA-N 1 2 299.327 -1.075 20 0 CAADLO CC[C@@H](O)C[N@H+]1C[C@@H](N2C(=O)CNC2=O)C[C@H]1C(=O)OC ZINC000598640813 373165129 /nfs/dbraw/zinc/16/51/29/373165129.db2.gz SSUBMDXKZGIVJE-AEJSXWLSSA-N 1 2 299.327 -1.075 20 0 CAADLO COC(=O)c1cnn(CC(=O)N2CC[NH+](CCO)CC2)c1 ZINC000599041877 373166978 /nfs/dbraw/zinc/16/69/78/373166978.db2.gz XLHXZLFCGNAWFC-UHFFFAOYSA-N 1 2 296.327 -1.194 20 0 CAADLO Cn1nnnc1N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000618481119 373167034 /nfs/dbraw/zinc/16/70/34/373167034.db2.gz ADMUTOKPIDCTPZ-UHFFFAOYSA-N 1 2 279.348 -1.046 20 0 CAADLO COC(=O)C1(CNc2nc(N)nc(N)[nH+]2)CCOCC1 ZINC000599064524 373167718 /nfs/dbraw/zinc/16/77/18/373167718.db2.gz BZXOWHLLRSJGID-UHFFFAOYSA-N 1 2 282.304 -1.500 20 0 CAADLO CCOC(=O)C[C@@H](O)C[N@@H+]1CCO[C@H](C(N)=O)C1 ZINC000599277597 373172534 /nfs/dbraw/zinc/17/25/34/373172534.db2.gz ONOGMAMGPXCFGX-BDAKNGLRSA-N 1 2 260.290 -1.513 20 0 CAADLO CCOC(=O)C[C@@H](O)C[N@H+]1CCO[C@H](C(N)=O)C1 ZINC000599277597 373172539 /nfs/dbraw/zinc/17/25/39/373172539.db2.gz ONOGMAMGPXCFGX-BDAKNGLRSA-N 1 2 260.290 -1.513 20 0 CAADLO COC(=O)COCCNC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000599183677 373169611 /nfs/dbraw/zinc/16/96/11/373169611.db2.gz CKMIQRUEQXTATB-SNVBAGLBSA-N 1 2 289.332 -1.194 20 0 CAADLO COC(=O)COCCNC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000599183677 373169621 /nfs/dbraw/zinc/16/96/21/373169621.db2.gz CKMIQRUEQXTATB-SNVBAGLBSA-N 1 2 289.332 -1.194 20 0 CAADLO C[C@@H]1C[N@H+](CCC(=O)NC(N)=O)CCN1S(C)(=O)=O ZINC000595761682 373120164 /nfs/dbraw/zinc/12/01/64/373120164.db2.gz FVRUUJFTSDEKLS-MRVPVSSYSA-N 1 2 292.361 -1.463 20 0 CAADLO C[C@@H]1C[N@@H+](CCC(=O)NC(N)=O)CCN1S(C)(=O)=O ZINC000595761682 373120176 /nfs/dbraw/zinc/12/01/76/373120176.db2.gz FVRUUJFTSDEKLS-MRVPVSSYSA-N 1 2 292.361 -1.463 20 0 CAADLO CCOC(=O)[C@@H](N)C(=O)N(C)CC[NH+]1CCOCC1 ZINC000595953741 373121833 /nfs/dbraw/zinc/12/18/33/373121833.db2.gz CNIRXMXXKQOLHL-JTQLQIEISA-N 1 2 273.333 -1.333 20 0 CAADLO COC(=O)COCCNC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000599183676 373169994 /nfs/dbraw/zinc/16/99/94/373169994.db2.gz CKMIQRUEQXTATB-JTQLQIEISA-N 1 2 289.332 -1.194 20 0 CAADLO COC(=O)COCCNC(=O)NC[C@H]1COCC[N@H+]1C ZINC000599183676 373170000 /nfs/dbraw/zinc/17/00/00/373170000.db2.gz CKMIQRUEQXTATB-JTQLQIEISA-N 1 2 289.332 -1.194 20 0 CAADLO CCOC(=O)[C@@H](N)C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000595948648 373123086 /nfs/dbraw/zinc/12/30/86/373123086.db2.gz SRCSAGHILMVUKW-ZJUUUORDSA-N 1 2 273.333 -1.286 20 0 CAADLO CCOC(=O)[C@@H](N)C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000595948648 373123095 /nfs/dbraw/zinc/12/30/95/373123095.db2.gz SRCSAGHILMVUKW-ZJUUUORDSA-N 1 2 273.333 -1.286 20 0 CAADLO CCOC(=O)[C@H](N)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000595967286 373124855 /nfs/dbraw/zinc/12/48/55/373124855.db2.gz RGNJORCVVZZNFR-GHMZBOCLSA-N 1 2 285.344 -1.190 20 0 CAADLO CCOC(=O)[C@@H](N)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000595967287 373125167 /nfs/dbraw/zinc/12/51/67/373125167.db2.gz RGNJORCVVZZNFR-MNOVXSKESA-N 1 2 285.344 -1.190 20 0 CAADLO COC(=O)[C@@H]1CCC[C@@H]1NC(=O)CN1CC[NH2+]CC1=O ZINC000595975947 373127481 /nfs/dbraw/zinc/12/74/81/373127481.db2.gz USAQYNJLCCMANJ-ZJUUUORDSA-N 1 2 283.328 -1.124 20 0 CAADLO CCOC(=O)[C@@H](N)C(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000595945668 373127977 /nfs/dbraw/zinc/12/79/77/373127977.db2.gz VXYLAZTZBBYYCY-UWVGGRQHSA-N 1 2 273.333 -1.286 20 0 CAADLO CCOC(=O)[C@@H](N)C(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000595945668 373127989 /nfs/dbraw/zinc/12/79/89/373127989.db2.gz VXYLAZTZBBYYCY-UWVGGRQHSA-N 1 2 273.333 -1.286 20 0 CAADLO COC(=O)[C@H]1C[C@@H](NC(=O)CN2CC[NH2+]CC2=O)C1 ZINC000595976165 373128422 /nfs/dbraw/zinc/12/84/22/373128422.db2.gz WMBXLWYSKGLBLF-DTORHVGOSA-N 1 2 269.301 -1.514 20 0 CAADLO CCOC(=O)C[C@H](O)C[N@@H+]1CCO[C@H](C(N)=O)C1 ZINC000599277599 373170973 /nfs/dbraw/zinc/17/09/73/373170973.db2.gz ONOGMAMGPXCFGX-IUCAKERBSA-N 1 2 260.290 -1.513 20 0 CAADLO CCOC(=O)C[C@H](O)C[N@H+]1CCO[C@H](C(N)=O)C1 ZINC000599277599 373170983 /nfs/dbraw/zinc/17/09/83/373170983.db2.gz ONOGMAMGPXCFGX-IUCAKERBSA-N 1 2 260.290 -1.513 20 0 CAADLO CCOC(=O)C[C@H](O)C[N@@H+]1CCN(C)C[C@@H]1CO ZINC000602904095 373210487 /nfs/dbraw/zinc/21/04/87/373210487.db2.gz ISUZLSBVVVQKMO-MNOVXSKESA-N 1 2 260.334 -1.091 20 0 CAADLO CCOC(=O)C[C@H](O)C[N@H+]1CCN(C)C[C@@H]1CO ZINC000602904095 373210491 /nfs/dbraw/zinc/21/04/91/373210491.db2.gz ISUZLSBVVVQKMO-MNOVXSKESA-N 1 2 260.334 -1.091 20 0 CAADLO CCOC[C@H](O)C[NH+]1CCN(S(=O)(=O)N(C)C)CC1 ZINC000603555422 373215240 /nfs/dbraw/zinc/21/52/40/373215240.db2.gz APFOMLQPKSFBHG-LLVKDONJSA-N 1 2 295.405 -1.192 20 0 CAADLO CC[N@H+](CC(=O)NCC(=O)OC)CC(=O)N(C)C ZINC000603846861 373216464 /nfs/dbraw/zinc/21/64/64/373216464.db2.gz FKCZPZRBLHCYKY-UHFFFAOYSA-N 1 2 259.306 -1.314 20 0 CAADLO CC[N@@H+](CC(=O)NCC(=O)OC)CC(=O)N(C)C ZINC000603846861 373216475 /nfs/dbraw/zinc/21/64/75/373216475.db2.gz FKCZPZRBLHCYKY-UHFFFAOYSA-N 1 2 259.306 -1.314 20 0 CAADLO C[C@@H](C(=O)NC(N)=O)[N@@H+]1CCC[C@@H](NS(C)(=O)=O)C1 ZINC000603877024 373216665 /nfs/dbraw/zinc/21/66/65/373216665.db2.gz XHLYGHOLNFWUQT-JGVFFNPUSA-N 1 2 292.361 -1.417 20 0 CAADLO C[C@@H](C(=O)NC(N)=O)[N@H+]1CCC[C@@H](NS(C)(=O)=O)C1 ZINC000603877024 373216671 /nfs/dbraw/zinc/21/66/71/373216671.db2.gz XHLYGHOLNFWUQT-JGVFFNPUSA-N 1 2 292.361 -1.417 20 0 CAADLO CCNC(=O)C[N@H+](C)CC(=O)NCCC(=O)OC ZINC000603857900 373217297 /nfs/dbraw/zinc/21/72/97/373217297.db2.gz ZNAPRPWLDRJECN-UHFFFAOYSA-N 1 2 259.306 -1.266 20 0 CAADLO CCNC(=O)C[N@@H+](C)CC(=O)NCCC(=O)OC ZINC000603857900 373217301 /nfs/dbraw/zinc/21/73/01/373217301.db2.gz ZNAPRPWLDRJECN-UHFFFAOYSA-N 1 2 259.306 -1.266 20 0 CAADLO O=C(NCC(=O)N1CCOCC1)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000637019805 373223425 /nfs/dbraw/zinc/22/34/25/373223425.db2.gz RCHWNNUOBOLIQQ-SNVBAGLBSA-N 1 2 293.327 -1.034 20 0 CAADLO O=C(NCC(=O)N1CCOCC1)N[C@H]1Cc2c[nH+]cn2C1 ZINC000637019804 373223438 /nfs/dbraw/zinc/22/34/38/373223438.db2.gz RCHWNNUOBOLIQQ-JTQLQIEISA-N 1 2 293.327 -1.034 20 0 CAADLO CCOC(=O)C[C@H](O)C[NH+]1CCN(C(=O)CO)CC1 ZINC000599342692 373174909 /nfs/dbraw/zinc/17/49/09/373174909.db2.gz LDXWGWWMTKJDOJ-JTQLQIEISA-N 1 2 274.317 -1.563 20 0 CAADLO CCOC(=O)C[C@H](O)C[N@@H+]1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC000599319130 373175249 /nfs/dbraw/zinc/17/52/49/373175249.db2.gz KCFFMVBKSOMLPC-ZJUUUORDSA-N 1 2 299.327 -2.057 20 0 CAADLO CCOC(=O)C[C@H](O)C[N@H+]1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC000599319130 373175256 /nfs/dbraw/zinc/17/52/56/373175256.db2.gz KCFFMVBKSOMLPC-ZJUUUORDSA-N 1 2 299.327 -2.057 20 0 CAADLO CCOC(=O)C[C@H](O)C[N@@H+]1CCOC[C@@H]1CC(N)=O ZINC000599435125 373175317 /nfs/dbraw/zinc/17/53/17/373175317.db2.gz RUHAGWJXMFYASQ-UWVGGRQHSA-N 1 2 274.317 -1.123 20 0 CAADLO CCOC(=O)C[C@H](O)C[N@H+]1CCOC[C@@H]1CC(N)=O ZINC000599435125 373175323 /nfs/dbraw/zinc/17/53/23/373175323.db2.gz RUHAGWJXMFYASQ-UWVGGRQHSA-N 1 2 274.317 -1.123 20 0 CAADLO CCOC(=O)C[C@H](O)C[N@H+](C)[C@@H](COC)C(N)=O ZINC000599427763 373177208 /nfs/dbraw/zinc/17/72/08/373177208.db2.gz VBPFPMNFZPIUBK-IUCAKERBSA-N 1 2 262.306 -1.267 20 0 CAADLO CCOC(=O)C[C@H](O)C[N@@H+](C)[C@@H](COC)C(N)=O ZINC000599427763 373177214 /nfs/dbraw/zinc/17/72/14/373177214.db2.gz VBPFPMNFZPIUBK-IUCAKERBSA-N 1 2 262.306 -1.267 20 0 CAADLO CC[C@@H](C)[C@H](NC(=O)C[NH+]1C[C@H](O)[C@@H](O)C1)C(=O)OC ZINC000599531175 373178867 /nfs/dbraw/zinc/17/88/67/373178867.db2.gz LNJLIBZADCBDBU-WDCWCFNPSA-N 1 2 288.344 -1.272 20 0 CAADLO COC[C@@H](C)NC(=O)NC(=O)C[NH+]1C[C@H](O)[C@@H](O)C1 ZINC000599531069 373179378 /nfs/dbraw/zinc/17/93/78/373179378.db2.gz GVCHMCPJBBYAJF-VGMNWLOBSA-N 1 2 275.305 -2.116 20 0 CAADLO CC(C)NC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@H](O)C[C@H]1C(N)=O ZINC000599541781 373180669 /nfs/dbraw/zinc/18/06/69/373180669.db2.gz OUNDPWPNUACXLK-YIZRAAEISA-N 1 2 286.332 -1.470 20 0 CAADLO CC(C)NC(=O)NC(=O)[C@H](C)[N@H+]1C[C@H](O)C[C@H]1C(N)=O ZINC000599541781 373180675 /nfs/dbraw/zinc/18/06/75/373180675.db2.gz OUNDPWPNUACXLK-YIZRAAEISA-N 1 2 286.332 -1.470 20 0 CAADLO C[C@H](C(=O)NC(N)=O)[NH+]1CCN(c2nccnn2)CC1 ZINC000599510275 373180910 /nfs/dbraw/zinc/18/09/10/373180910.db2.gz VPZMKPYSNWHYHE-MRVPVSSYSA-N 1 2 279.304 -1.423 20 0 CAADLO COC(=O)CNC(=O)C[N@@H+]1CC[C@](OC)(C(=O)OC)C1 ZINC000599566236 373181259 /nfs/dbraw/zinc/18/12/59/373181259.db2.gz BXHRFGXJQGTXOW-GFCCVEGCSA-N 1 2 288.300 -1.461 20 0 CAADLO COC(=O)CNC(=O)C[N@H+]1CC[C@](OC)(C(=O)OC)C1 ZINC000599566236 373181267 /nfs/dbraw/zinc/18/12/67/373181267.db2.gz BXHRFGXJQGTXOW-GFCCVEGCSA-N 1 2 288.300 -1.461 20 0 CAADLO COC(=O)CNC(=O)C[N@@H+]1CC[C@@](OC)(C(=O)OC)C1 ZINC000599566240 373181372 /nfs/dbraw/zinc/18/13/72/373181372.db2.gz BXHRFGXJQGTXOW-LBPRGKRZSA-N 1 2 288.300 -1.461 20 0 CAADLO COC(=O)CNC(=O)C[N@H+]1CC[C@@](OC)(C(=O)OC)C1 ZINC000599566240 373181378 /nfs/dbraw/zinc/18/13/78/373181378.db2.gz BXHRFGXJQGTXOW-LBPRGKRZSA-N 1 2 288.300 -1.461 20 0 CAADLO CNC(=O)NC[C@H]1C[N@H+](C[C@@](C)(O)C(=O)OC)CCO1 ZINC000599539418 373181488 /nfs/dbraw/zinc/18/14/88/373181488.db2.gz CPWYMDYCIMHBMN-JOYOIKCWSA-N 1 2 289.332 -1.460 20 0 CAADLO CNC(=O)NC[C@H]1C[N@@H+](C[C@@](C)(O)C(=O)OC)CCO1 ZINC000599539418 373181496 /nfs/dbraw/zinc/18/14/96/373181496.db2.gz CPWYMDYCIMHBMN-JOYOIKCWSA-N 1 2 289.332 -1.460 20 0 CAADLO COC(=O)[C@](C)(NC(=O)CN1CC[NH2+]CC1=O)C1CC1 ZINC000563155127 373224368 /nfs/dbraw/zinc/22/43/68/373224368.db2.gz JZWPITSETFMQIE-CYBMUJFWSA-N 1 2 283.328 -1.124 20 0 CAADLO CCOC(=O)C[C@H](O)C[N@@H+]1CCO[C@@H](CC(N)=O)C1 ZINC000599658347 373183573 /nfs/dbraw/zinc/18/35/73/373183573.db2.gz ARCABGUSUGXRSI-UWVGGRQHSA-N 1 2 274.317 -1.123 20 0 CAADLO CCOC(=O)C[C@H](O)C[N@H+]1CCO[C@@H](CC(N)=O)C1 ZINC000599658347 373183576 /nfs/dbraw/zinc/18/35/76/373183576.db2.gz ARCABGUSUGXRSI-UWVGGRQHSA-N 1 2 274.317 -1.123 20 0 CAADLO CCOC(=O)CC[C@@H](O)C[NH+]1CC(NS(C)(=O)=O)C1 ZINC000601961884 373191889 /nfs/dbraw/zinc/19/18/89/373191889.db2.gz BIBHSCYXSLIWTQ-SNVBAGLBSA-N 1 2 294.373 -1.076 20 0 CAADLO COC(=O)C[C@@H]1CS(=O)(=O)CCN1C(=O)C[NH+](C)C ZINC000601796936 373192528 /nfs/dbraw/zinc/19/25/28/373192528.db2.gz RGCFVPSDUUEESJ-SECBINFHSA-N 1 2 292.357 -1.263 20 0 CAADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)N[C@H]1CCCNC1=O ZINC000636699221 373192653 /nfs/dbraw/zinc/19/26/53/373192653.db2.gz RLGSPSMOQZZRLL-UWVGGRQHSA-N 1 2 270.333 -1.105 20 0 CAADLO C[N@H+]1CCOC[C@@H]1CNC(=O)N[C@H]1CCCNC1=O ZINC000636699221 373192659 /nfs/dbraw/zinc/19/26/59/373192659.db2.gz RLGSPSMOQZZRLL-UWVGGRQHSA-N 1 2 270.333 -1.105 20 0 CAADLO COC[C@H](O)C[NH+]1CCN(S(=O)(=O)N(C)C)CC1 ZINC000601832164 373192711 /nfs/dbraw/zinc/19/27/11/373192711.db2.gz RMIIHBQUJHDSKU-SNVBAGLBSA-N 1 2 281.378 -1.582 20 0 CAADLO CC[C@H](NC(=O)[C@H](C)N1CC[NH2+]CC1=O)C(=O)OC ZINC000602440631 373196399 /nfs/dbraw/zinc/19/63/99/373196399.db2.gz RROONQHNEYHUAG-IUCAKERBSA-N 1 2 271.317 -1.126 20 0 CAADLO Cn1cc[nH+]c1CNC(=O)N1CC(NS(C)(=O)=O)C1 ZINC000636726001 373197570 /nfs/dbraw/zinc/19/75/70/373197570.db2.gz UTWYUKYGTYHRQL-UHFFFAOYSA-N 1 2 287.345 -1.137 20 0 CAADLO CCOC(=O)CCNC(=O)[C@@H](C)N1CC[NH2+]CC1=O ZINC000602440105 373198363 /nfs/dbraw/zinc/19/83/63/373198363.db2.gz OBIQZVBLYPUBAY-SECBINFHSA-N 1 2 271.317 -1.124 20 0 CAADLO COC(=O)[C@@H](C)CNC(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000602452634 373199267 /nfs/dbraw/zinc/19/92/67/373199267.db2.gz DUMJSVROLJCEDK-IUCAKERBSA-N 1 2 271.317 -1.268 20 0 CAADLO COC(=O)[C@@H](C)NC(=O)[C@@H](C)N1CC[NH2+]CC1=O ZINC000602444883 373199521 /nfs/dbraw/zinc/19/95/21/373199521.db2.gz RLORZKAYYZLJSG-HTQZYQBOSA-N 1 2 257.290 -1.516 20 0 CAADLO COC(=O)[C@]1(NC(=O)[C@H](C)N2CC[NH2+]CC2=O)CCOC1 ZINC000602465682 373199587 /nfs/dbraw/zinc/19/95/87/373199587.db2.gz JXSROTPYMTZFDJ-ZANVPECISA-N 1 2 299.327 -1.745 20 0 CAADLO CC[C@@H](NC(=O)[C@@H](C)N1CC[NH2+]CC1=O)C(=O)OC ZINC000602440632 373199700 /nfs/dbraw/zinc/19/97/00/373199700.db2.gz RROONQHNEYHUAG-RKDXNWHRSA-N 1 2 271.317 -1.126 20 0 CAADLO COC(=O)[C@H](NC(=O)[C@H](C)N1CC[NH2+]CC1=O)C1CC1 ZINC000602456664 373199729 /nfs/dbraw/zinc/19/97/29/373199729.db2.gz CBSWAYGPFFISRY-GZMMTYOYSA-N 1 2 283.328 -1.126 20 0 CAADLO COC(=O)[C@H](C)NC(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000602444893 373200274 /nfs/dbraw/zinc/20/02/74/373200274.db2.gz RLORZKAYYZLJSG-YUMQZZPRSA-N 1 2 257.290 -1.516 20 0 CAADLO COC(=O)[C@@H](C)NC(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000602444892 373200658 /nfs/dbraw/zinc/20/06/58/373200658.db2.gz RLORZKAYYZLJSG-SFYZADRCSA-N 1 2 257.290 -1.516 20 0 CAADLO COC(=O)[C@H]1CN(C(=O)[C@H](C)N2CC[NH2+]CC2=O)CCO1 ZINC000602519030 373200939 /nfs/dbraw/zinc/20/09/39/373200939.db2.gz DNQRIJBYDVPBJY-VHSXEESVSA-N 1 2 299.327 -1.793 20 0 CAADLO COC(=O)[C@H]1CN(C(=O)[C@@H](C)N2CC[NH2+]CC2=O)CCO1 ZINC000602519028 373201002 /nfs/dbraw/zinc/20/10/02/373201002.db2.gz DNQRIJBYDVPBJY-NXEZZACHSA-N 1 2 299.327 -1.793 20 0 CAADLO COC(=O)[C@H]1C[C@H](NC(=O)[C@@H](C)N2CC[NH2+]CC2=O)C1 ZINC000602536188 373202434 /nfs/dbraw/zinc/20/24/34/373202434.db2.gz QSVDPAQILHXTGZ-OPRDCNLKSA-N 1 2 283.328 -1.126 20 0 CAADLO COC[C@H](NC(=O)[C@@H](C)N1CC[NH2+]CC1=O)C(=O)OC ZINC000602504941 373203451 /nfs/dbraw/zinc/20/34/51/373203451.db2.gz OKHCJPIRJAZMNP-BDAKNGLRSA-N 1 2 287.316 -1.889 20 0 CAADLO COC(=O)[C@H](C)N(C)C(=O)[C@@H](C)N1CC[NH2+]CC1=O ZINC000602504349 373203547 /nfs/dbraw/zinc/20/35/47/373203547.db2.gz PSJYHVBDVWSZGO-BDAKNGLRSA-N 1 2 271.317 -1.173 20 0 CAADLO COC(=O)[C@@H]1CN(C(=O)CN2CC[NH2+]CC2=O)C[C@@H](C)O1 ZINC000602548013 373203725 /nfs/dbraw/zinc/20/37/25/373203725.db2.gz KTZROGVLBJKZKI-ZJUUUORDSA-N 1 2 299.327 -1.793 20 0 CAADLO COC(=O)[C@](C)(O)C[NH+]1CCN(Cc2nc[nH]n2)CC1 ZINC000602862630 373206909 /nfs/dbraw/zinc/20/69/09/373206909.db2.gz DTARPJJJUXZSNV-GFCCVEGCSA-N 1 2 283.332 -1.154 20 0 CAADLO COC(=O)[C@](C)(O)C[NH+]1CCN(Cc2nnc[nH]2)CC1 ZINC000602862630 373206915 /nfs/dbraw/zinc/20/69/15/373206915.db2.gz DTARPJJJUXZSNV-GFCCVEGCSA-N 1 2 283.332 -1.154 20 0 CAADLO COC(=O)CNC(=O)[C@H]1CCC[N@@H+]1CC(=O)N(C)C ZINC000602845556 373207328 /nfs/dbraw/zinc/20/73/28/373207328.db2.gz KGBPFIWWUUHASH-SECBINFHSA-N 1 2 271.317 -1.172 20 0 CAADLO COC(=O)CNC(=O)[C@H]1CCC[N@H+]1CC(=O)N(C)C ZINC000602845556 373207334 /nfs/dbraw/zinc/20/73/34/373207334.db2.gz KGBPFIWWUUHASH-SECBINFHSA-N 1 2 271.317 -1.172 20 0 CAADLO CCOC(=O)C[C@H](O)C[N@@H+]1CCN(C)C[C@H]1CO ZINC000602904096 373208749 /nfs/dbraw/zinc/20/87/49/373208749.db2.gz ISUZLSBVVVQKMO-QWRGUYRKSA-N 1 2 260.334 -1.091 20 0 CAADLO CCOC(=O)C[C@H](O)C[N@H+]1CCN(C)C[C@H]1CO ZINC000602904096 373208757 /nfs/dbraw/zinc/20/87/57/373208757.db2.gz ISUZLSBVVVQKMO-QWRGUYRKSA-N 1 2 260.334 -1.091 20 0 CAADLO COCCN1C[C@H](C(=O)NC[C@H]2C[N@H+](C)CCO2)CC1=O ZINC000338119416 373272197 /nfs/dbraw/zinc/27/21/97/373272197.db2.gz ZZBDFHJMLNHMKV-NEPJUHHUSA-N 1 2 299.371 -1.072 20 0 CAADLO COCCN1C[C@H](C(=O)NC[C@H]2C[N@@H+](C)CCO2)CC1=O ZINC000338119416 373272201 /nfs/dbraw/zinc/27/22/01/373272201.db2.gz ZZBDFHJMLNHMKV-NEPJUHHUSA-N 1 2 299.371 -1.072 20 0 CAADLO COCC[N@H+](CCO)CC(=O)NCC(=O)N1CCCC1 ZINC000355954208 373272464 /nfs/dbraw/zinc/27/24/64/373272464.db2.gz XCOQDMSIKBXMTG-UHFFFAOYSA-N 1 2 287.360 -1.334 20 0 CAADLO COCC[N@@H+](CCO)CC(=O)NCC(=O)N1CCCC1 ZINC000355954208 373272472 /nfs/dbraw/zinc/27/24/72/373272472.db2.gz XCOQDMSIKBXMTG-UHFFFAOYSA-N 1 2 287.360 -1.334 20 0 CAADLO NS(=O)(=O)NCC[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000112706908 373272639 /nfs/dbraw/zinc/27/26/39/373272639.db2.gz PUJFAPJUBKXHOO-UHFFFAOYSA-N 1 2 290.389 -1.276 20 0 CAADLO CC(C)(C(=O)N1CCN(CC(N)=O)CC1)[NH+]1CCOCC1 ZINC000338164073 373273832 /nfs/dbraw/zinc/27/38/32/373273832.db2.gz GAGHPVZJBMXLIW-UHFFFAOYSA-N 1 2 298.387 -1.273 20 0 CAADLO C[C@H](NC(=O)C[N@@H+]1CCC[C@@]12CCNC2=O)C(=O)N(C)C ZINC000570981848 373275443 /nfs/dbraw/zinc/27/54/43/373275443.db2.gz YAQALAHOMJSNMW-HZMBPMFUSA-N 1 2 296.371 -1.066 20 0 CAADLO C[C@H](NC(=O)C[N@H+]1CCC[C@@]12CCNC2=O)C(=O)N(C)C ZINC000570981848 373275452 /nfs/dbraw/zinc/27/54/52/373275452.db2.gz YAQALAHOMJSNMW-HZMBPMFUSA-N 1 2 296.371 -1.066 20 0 CAADLO COC(=O)[C@H](CO)NC(=O)C[N@H+](C)CC(=O)NC(C)C ZINC000356028752 373275467 /nfs/dbraw/zinc/27/54/67/373275467.db2.gz LIWNPKPUMMXKLB-VIFPVBQESA-N 1 2 289.332 -1.907 20 0 CAADLO COC(=O)[C@H](CO)NC(=O)C[N@@H+](C)CC(=O)NC(C)C ZINC000356028752 373275474 /nfs/dbraw/zinc/27/54/74/373275474.db2.gz LIWNPKPUMMXKLB-VIFPVBQESA-N 1 2 289.332 -1.907 20 0 CAADLO COCCN1CN(C[C@H](O)C[NH+]2CCOCC2)CC1=O ZINC000338355045 373276445 /nfs/dbraw/zinc/27/64/45/373276445.db2.gz JMBXSUPEDHDUPQ-GFCCVEGCSA-N 1 2 287.360 -1.572 20 0 CAADLO COCCN1CN(C[C@@H](O)C[NH+]2CCOCC2)CC1=O ZINC000338355058 373276913 /nfs/dbraw/zinc/27/69/13/373276913.db2.gz JMBXSUPEDHDUPQ-LBPRGKRZSA-N 1 2 287.360 -1.572 20 0 CAADLO CC[NH+]1CCN(C(=O)C(=O)NC[C@H]2COCCN2C)CC1 ZINC000637109589 373229203 /nfs/dbraw/zinc/22/92/03/373229203.db2.gz VSIBHCFRBUXDOQ-LBPRGKRZSA-N 1 2 298.387 -1.403 20 0 CAADLO Cn1nccc1S(=O)(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000329748162 373240460 /nfs/dbraw/zinc/24/04/60/373240460.db2.gz STJNVMKPFPOUJP-JTQLQIEISA-N 1 2 287.389 -1.056 20 0 CAADLO Cn1nccc1S(=O)(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000329748162 373240472 /nfs/dbraw/zinc/24/04/72/373240472.db2.gz STJNVMKPFPOUJP-JTQLQIEISA-N 1 2 287.389 -1.056 20 0 CAADLO CS(=O)(=O)N[C@H]1CC[N@@H+]([C@@H]2CCCNC2=O)C1 ZINC000336718747 373245722 /nfs/dbraw/zinc/24/57/22/373245722.db2.gz XETGXAMMTWPDDW-DTWKUNHWSA-N 1 2 261.347 -1.112 20 0 CAADLO CS(=O)(=O)N[C@H]1CC[N@H+]([C@@H]2CCCNC2=O)C1 ZINC000336718747 373245727 /nfs/dbraw/zinc/24/57/27/373245727.db2.gz XETGXAMMTWPDDW-DTWKUNHWSA-N 1 2 261.347 -1.112 20 0 CAADLO CS(=O)(=O)N[C@@H]1CC[N@@H+]([C@H]2CCCNC2=O)C1 ZINC000336718740 373246934 /nfs/dbraw/zinc/24/69/34/373246934.db2.gz XETGXAMMTWPDDW-BDAKNGLRSA-N 1 2 261.347 -1.112 20 0 CAADLO CS(=O)(=O)N[C@@H]1CC[N@H+]([C@H]2CCCNC2=O)C1 ZINC000336718740 373246940 /nfs/dbraw/zinc/24/69/40/373246940.db2.gz XETGXAMMTWPDDW-BDAKNGLRSA-N 1 2 261.347 -1.112 20 0 CAADLO CS(=O)(=O)NCC[N@@H+]1CCN2C(=O)CC[C@H]2C1 ZINC000336711328 373247558 /nfs/dbraw/zinc/24/75/58/373247558.db2.gz MBBIINUPPUOZDE-VIFPVBQESA-N 1 2 261.347 -1.158 20 0 CAADLO CS(=O)(=O)NCC[N@H+]1CCN2C(=O)CC[C@H]2C1 ZINC000336711328 373247564 /nfs/dbraw/zinc/24/75/64/373247564.db2.gz MBBIINUPPUOZDE-VIFPVBQESA-N 1 2 261.347 -1.158 20 0 CAADLO CS(=O)(=O)N1CC[NH+](C[C@@H]2COCCO2)CC1 ZINC000336715831 373247757 /nfs/dbraw/zinc/24/77/57/373247757.db2.gz UYDQAIMJFUNRHB-SNVBAGLBSA-N 1 2 264.347 -1.021 20 0 CAADLO Cc1c(C[N@@H+]2CCN3C(=O)C(=O)NC[C@@H]3C2)cnn1C ZINC000336825430 373249693 /nfs/dbraw/zinc/24/96/93/373249693.db2.gz YONSDHBTICKHKY-LLVKDONJSA-N 1 2 277.328 -1.129 20 0 CAADLO Cc1c(C[N@H+]2CCN3C(=O)C(=O)NC[C@@H]3C2)cnn1C ZINC000336825430 373249695 /nfs/dbraw/zinc/24/96/95/373249695.db2.gz YONSDHBTICKHKY-LLVKDONJSA-N 1 2 277.328 -1.129 20 0 CAADLO O=C1NC(=O)N2CCN(CCC[NH+]3CCOCC3)C[C@@H]12 ZINC000336823143 373249919 /nfs/dbraw/zinc/24/99/19/373249919.db2.gz OIMKWQHIXASVCC-NSHDSACASA-N 1 2 282.344 -1.055 20 0 CAADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)N1CCC[C@](O)(CO)C1 ZINC000637440152 373254753 /nfs/dbraw/zinc/25/47/53/373254753.db2.gz GNAFYZHMSHFNJL-WCQYABFASA-N 1 2 287.360 -1.154 20 0 CAADLO C[N@H+]1CCOC[C@@H]1CNC(=O)N1CCC[C@](O)(CO)C1 ZINC000637440152 373254760 /nfs/dbraw/zinc/25/47/60/373254760.db2.gz GNAFYZHMSHFNJL-WCQYABFASA-N 1 2 287.360 -1.154 20 0 CAADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)NC(C)(CO)CO ZINC000637442863 373255339 /nfs/dbraw/zinc/25/53/39/373255339.db2.gz UPFBXIZJXAJMEP-VIFPVBQESA-N 1 2 261.322 -1.641 20 0 CAADLO C[N@H+]1CCOC[C@@H]1CNC(=O)NC(C)(CO)CO ZINC000637442863 373255343 /nfs/dbraw/zinc/25/53/43/373255343.db2.gz UPFBXIZJXAJMEP-VIFPVBQESA-N 1 2 261.322 -1.641 20 0 CAADLO C[C@H]1C(=O)NCCN1C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000637442000 373256011 /nfs/dbraw/zinc/25/60/11/373256011.db2.gz CQTPAJZWOZOZCW-VHSXEESVSA-N 1 2 270.333 -1.153 20 0 CAADLO C[C@H]1C(=O)NCCN1C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000637442000 373256020 /nfs/dbraw/zinc/25/60/20/373256020.db2.gz CQTPAJZWOZOZCW-VHSXEESVSA-N 1 2 270.333 -1.153 20 0 CAADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)NC[C@@H]1CCC(=O)N1 ZINC000637441089 373256149 /nfs/dbraw/zinc/25/61/49/373256149.db2.gz YHGOIQICCLWNKH-UWVGGRQHSA-N 1 2 270.333 -1.105 20 0 CAADLO C[N@H+]1CCOC[C@@H]1CNC(=O)NC[C@@H]1CCC(=O)N1 ZINC000637441089 373256155 /nfs/dbraw/zinc/25/61/55/373256155.db2.gz YHGOIQICCLWNKH-UWVGGRQHSA-N 1 2 270.333 -1.105 20 0 CAADLO C[C@H](CC(N)=O)NC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000637442867 373256305 /nfs/dbraw/zinc/25/63/05/373256305.db2.gz UQCWAWVWGTYOAA-RKDXNWHRSA-N 1 2 258.322 -1.120 20 0 CAADLO C[C@H](CC(N)=O)NC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000637442867 373256312 /nfs/dbraw/zinc/25/63/12/373256312.db2.gz UQCWAWVWGTYOAA-RKDXNWHRSA-N 1 2 258.322 -1.120 20 0 CAADLO C[N@@H+]1CCOC[C@H]1CNC(=O)NC[C@@H]1CCC(=O)N1 ZINC000637441090 373256627 /nfs/dbraw/zinc/25/66/27/373256627.db2.gz YHGOIQICCLWNKH-VHSXEESVSA-N 1 2 270.333 -1.105 20 0 CAADLO C[N@H+]1CCOC[C@H]1CNC(=O)NC[C@@H]1CCC(=O)N1 ZINC000637441090 373256632 /nfs/dbraw/zinc/25/66/32/373256632.db2.gz YHGOIQICCLWNKH-VHSXEESVSA-N 1 2 270.333 -1.105 20 0 CAADLO C[C@@H](CC(N)=O)NC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000637442865 373256852 /nfs/dbraw/zinc/25/68/52/373256852.db2.gz UQCWAWVWGTYOAA-DTWKUNHWSA-N 1 2 258.322 -1.120 20 0 CAADLO C[C@@H](CC(N)=O)NC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000637442865 373256858 /nfs/dbraw/zinc/25/68/58/373256858.db2.gz UQCWAWVWGTYOAA-DTWKUNHWSA-N 1 2 258.322 -1.120 20 0 CAADLO C[N@@H+]1CCOC[C@H]1CNC(=O)NC(C)(CO)CO ZINC000637442862 373256868 /nfs/dbraw/zinc/25/68/68/373256868.db2.gz UPFBXIZJXAJMEP-SECBINFHSA-N 1 2 261.322 -1.641 20 0 CAADLO C[N@H+]1CCOC[C@H]1CNC(=O)NC(C)(CO)CO ZINC000637442862 373256872 /nfs/dbraw/zinc/25/68/72/373256872.db2.gz UPFBXIZJXAJMEP-SECBINFHSA-N 1 2 261.322 -1.641 20 0 CAADLO C[C@H]1C(=O)NCCN1C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000637441998 373256924 /nfs/dbraw/zinc/25/69/24/373256924.db2.gz CQTPAJZWOZOZCW-UWVGGRQHSA-N 1 2 270.333 -1.153 20 0 CAADLO C[C@H]1C(=O)NCCN1C(=O)NC[C@H]1COCC[N@H+]1C ZINC000637441998 373256931 /nfs/dbraw/zinc/25/69/31/373256931.db2.gz CQTPAJZWOZOZCW-UWVGGRQHSA-N 1 2 270.333 -1.153 20 0 CAADLO O=C(C[N@@H+]1CCC[C@H]2C(=O)NC[C@H]21)N1CCNC1=O ZINC000337209726 373257204 /nfs/dbraw/zinc/25/72/04/373257204.db2.gz BHEDDHFWEYIFFO-RKDXNWHRSA-N 1 2 266.301 -1.251 20 0 CAADLO O=C(C[N@H+]1CCC[C@H]2C(=O)NC[C@H]21)N1CCNC1=O ZINC000337209726 373257211 /nfs/dbraw/zinc/25/72/11/373257211.db2.gz BHEDDHFWEYIFFO-RKDXNWHRSA-N 1 2 266.301 -1.251 20 0 CAADLO C[N@@H+]1CCOC[C@H]1CNC(=O)NC[C@@]1(O)CCOC1 ZINC000637442752 373258158 /nfs/dbraw/zinc/25/81/58/373258158.db2.gz SEEHQHUJWFFQOO-PWSUYJOCSA-N 1 2 273.333 -1.232 20 0 CAADLO C[N@H+]1CCOC[C@H]1CNC(=O)NC[C@@]1(O)CCOC1 ZINC000637442752 373258166 /nfs/dbraw/zinc/25/81/66/373258166.db2.gz SEEHQHUJWFFQOO-PWSUYJOCSA-N 1 2 273.333 -1.232 20 0 CAADLO C[N@@H+]1CCOC[C@H]1CNC(=O)N1CCOC[C@H](O)C1 ZINC000637443330 373258656 /nfs/dbraw/zinc/25/86/56/373258656.db2.gz XKDNGHMDBUHGPX-GHMZBOCLSA-N 1 2 273.333 -1.280 20 0 CAADLO C[N@H+]1CCOC[C@H]1CNC(=O)N1CCOC[C@H](O)C1 ZINC000637443330 373258662 /nfs/dbraw/zinc/25/86/62/373258662.db2.gz XKDNGHMDBUHGPX-GHMZBOCLSA-N 1 2 273.333 -1.280 20 0 CAADLO C[N@@H+]1CCOC[C@H]1CNC(=O)N1CCOC[C@@H](O)C1 ZINC000637443331 373259506 /nfs/dbraw/zinc/25/95/06/373259506.db2.gz XKDNGHMDBUHGPX-MNOVXSKESA-N 1 2 273.333 -1.280 20 0 CAADLO C[N@H+]1CCOC[C@H]1CNC(=O)N1CCOC[C@@H](O)C1 ZINC000637443331 373259510 /nfs/dbraw/zinc/25/95/10/373259510.db2.gz XKDNGHMDBUHGPX-MNOVXSKESA-N 1 2 273.333 -1.280 20 0 CAADLO O=C(CN1CCOCC1=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000365722405 373261026 /nfs/dbraw/zinc/26/10/26/373261026.db2.gz CNJBKLQJPMWVKU-GFCCVEGCSA-N 1 2 297.355 -1.222 20 0 CAADLO Cn1cc(OCC(=O)NC[C@@H](O)C[NH+]2CCOCC2)cn1 ZINC000337505799 373261552 /nfs/dbraw/zinc/26/15/52/373261552.db2.gz QHUBCTBDIZACSI-LLVKDONJSA-N 1 2 298.343 -1.392 20 0 CAADLO CCNC(=O)CCN1CCO[C@H](C[N@H+](C)CC(N)=O)C1 ZINC000337467962 373262298 /nfs/dbraw/zinc/26/22/98/373262298.db2.gz NWKLFXRQTBAGKN-LLVKDONJSA-N 1 2 286.376 -1.370 20 0 CAADLO CCNC(=O)CCN1CCO[C@H](C[N@@H+](C)CC(N)=O)C1 ZINC000337467962 373262303 /nfs/dbraw/zinc/26/23/03/373262303.db2.gz NWKLFXRQTBAGKN-LLVKDONJSA-N 1 2 286.376 -1.370 20 0 CAADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)N1CCNC(=O)CC1 ZINC000637449245 373262574 /nfs/dbraw/zinc/26/25/74/373262574.db2.gz ZCEWJGSUKWJRPT-JTQLQIEISA-N 1 2 270.333 -1.152 20 0 CAADLO C[N@H+]1CCOC[C@@H]1CNC(=O)N1CCNC(=O)CC1 ZINC000637449245 373262581 /nfs/dbraw/zinc/26/25/81/373262581.db2.gz ZCEWJGSUKWJRPT-JTQLQIEISA-N 1 2 270.333 -1.152 20 0 CAADLO C[C@@H]1CO[C@@H](CO)CN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000337653486 373264597 /nfs/dbraw/zinc/26/45/97/373264597.db2.gz DBNAUFIPBAWSBQ-GMTAPVOTSA-N 1 2 258.318 -1.075 20 0 CAADLO C[C@@H]1CO[C@@H](CO)CN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000337653486 373264604 /nfs/dbraw/zinc/26/46/04/373264604.db2.gz DBNAUFIPBAWSBQ-GMTAPVOTSA-N 1 2 258.318 -1.075 20 0 CAADLO CC1(C)NC(=O)N(CC[N@@H+]2CCO[C@H](C(N)=O)C2)C1=O ZINC000051104640 373265375 /nfs/dbraw/zinc/26/53/75/373265375.db2.gz WTDLQUYSUDQKLZ-QMMMGPOBSA-N 1 2 284.316 -1.497 20 0 CAADLO CC1(C)NC(=O)N(CC[N@H+]2CCO[C@H](C(N)=O)C2)C1=O ZINC000051104640 373265381 /nfs/dbraw/zinc/26/53/81/373265381.db2.gz WTDLQUYSUDQKLZ-QMMMGPOBSA-N 1 2 284.316 -1.497 20 0 CAADLO CC[N@@H+]1CCO[C@H](C(=O)N2CCO[C@H](c3nn[nH]n3)C2)C1 ZINC000365768596 373266737 /nfs/dbraw/zinc/26/67/37/373266737.db2.gz HRPNJHSOHQZASY-UWVGGRQHSA-N 1 2 296.331 -1.180 20 0 CAADLO CC[N@H+]1CCO[C@H](C(=O)N2CCO[C@H](c3nn[nH]n3)C2)C1 ZINC000365768596 373266741 /nfs/dbraw/zinc/26/67/41/373266741.db2.gz HRPNJHSOHQZASY-UWVGGRQHSA-N 1 2 296.331 -1.180 20 0 CAADLO COCCCNC(=O)[C@@H](C)[N@@H+]1CCO[C@H](C(N)=O)C1 ZINC000051105031 373267350 /nfs/dbraw/zinc/26/73/50/373267350.db2.gz VPDUCZLGPPYZAT-ZJUUUORDSA-N 1 2 273.333 -1.286 20 0 CAADLO COCCCNC(=O)[C@@H](C)[N@H+]1CCO[C@H](C(N)=O)C1 ZINC000051105031 373267354 /nfs/dbraw/zinc/26/73/54/373267354.db2.gz VPDUCZLGPPYZAT-ZJUUUORDSA-N 1 2 273.333 -1.286 20 0 CAADLO CC[C@@H](C)[C@@H]1CN(CC(N)=O)CC[N@@H+]1CC(N)=O ZINC000337974033 373270798 /nfs/dbraw/zinc/27/07/98/373270798.db2.gz DGBZLAAWBLOOBW-ZJUUUORDSA-N 1 2 256.350 -1.011 20 0 CAADLO CC[C@@H](C)[C@@H]1CN(CC(N)=O)CC[N@H+]1CC(N)=O ZINC000337974033 373270810 /nfs/dbraw/zinc/27/08/10/373270810.db2.gz DGBZLAAWBLOOBW-ZJUUUORDSA-N 1 2 256.350 -1.011 20 0 CAADLO CC[C@@H](C)[C@@H]1C[N@H+](CC(N)=O)CCN1CC(N)=O ZINC000337974033 373270817 /nfs/dbraw/zinc/27/08/17/373270817.db2.gz DGBZLAAWBLOOBW-ZJUUUORDSA-N 1 2 256.350 -1.011 20 0 CAADLO CC[C@@H](C)[C@@H]1C[N@@H+](CC(N)=O)CCN1CC(N)=O ZINC000337974033 373270822 /nfs/dbraw/zinc/27/08/22/373270822.db2.gz DGBZLAAWBLOOBW-ZJUUUORDSA-N 1 2 256.350 -1.011 20 0 CAADLO NC(=O)[C@@H]1CN(C(=O)NCC[NH+]2CCOCC2)CCO1 ZINC000051674821 373288934 /nfs/dbraw/zinc/28/89/34/373288934.db2.gz IZDCRPVAKAEONR-JTQLQIEISA-N 1 2 286.332 -1.786 20 0 CAADLO O=C(CCn1ccnn1)N[C@H](CO)C[NH+]1CCOCC1 ZINC000339441890 373289029 /nfs/dbraw/zinc/28/90/29/373289029.db2.gz SVMAPVFTUJNSHB-NSHDSACASA-N 1 2 283.332 -1.523 20 0 CAADLO CN(C[C@H](O)C[NH+]1CCOCC1)S(C)(=O)=O ZINC000339241895 373289567 /nfs/dbraw/zinc/28/95/67/373289567.db2.gz YOQCHUPMYDOLCY-VIFPVBQESA-N 1 2 252.336 -1.429 20 0 CAADLO CNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCS(=O)(=O)[C@@H]2C1 ZINC000353117295 373289591 /nfs/dbraw/zinc/28/95/91/373289591.db2.gz IJZZECTZZUOFJT-XHNCKOQMSA-N 1 2 289.357 -1.051 20 0 CAADLO CNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@@H]2CCS(=O)(=O)[C@@H]2C1 ZINC000353117295 373289594 /nfs/dbraw/zinc/28/95/94/373289594.db2.gz IJZZECTZZUOFJT-XHNCKOQMSA-N 1 2 289.357 -1.051 20 0 CAADLO CNS(=O)(=O)CCC[N@H+](C)[C@@H](COC)C(N)=O ZINC000339358847 373289773 /nfs/dbraw/zinc/28/97/73/373289773.db2.gz MGDRWFIUBLJYLX-QMMMGPOBSA-N 1 2 267.351 -1.642 20 0 CAADLO CNS(=O)(=O)CCC[N@@H+](C)[C@@H](COC)C(N)=O ZINC000339358847 373289781 /nfs/dbraw/zinc/28/97/81/373289781.db2.gz MGDRWFIUBLJYLX-QMMMGPOBSA-N 1 2 267.351 -1.642 20 0 CAADLO NC(=O)[C@H]1CN(C(=O)NCC[NH+]2CCOCC2)CCO1 ZINC000051674822 373289954 /nfs/dbraw/zinc/28/99/54/373289954.db2.gz IZDCRPVAKAEONR-SNVBAGLBSA-N 1 2 286.332 -1.786 20 0 CAADLO CCNC(=O)NC(=O)[C@H](C)[N@H+](C)[C@@H](COC)C(N)=O ZINC000339359992 373290187 /nfs/dbraw/zinc/29/01/87/373290187.db2.gz YELQTEJNBMKARJ-YUMQZZPRSA-N 1 2 274.321 -1.347 20 0 CAADLO CCNC(=O)NC(=O)[C@H](C)[N@@H+](C)[C@@H](COC)C(N)=O ZINC000339359992 373290194 /nfs/dbraw/zinc/29/01/94/373290194.db2.gz YELQTEJNBMKARJ-YUMQZZPRSA-N 1 2 274.321 -1.347 20 0 CAADLO C[NH+]1CCN(S(=O)(=O)N2CCN(C(N)=O)CC2)CC1 ZINC000339494711 373292425 /nfs/dbraw/zinc/29/24/25/373292425.db2.gz UQYCJGUECLIIQU-UHFFFAOYSA-N 1 2 291.377 -1.825 20 0 CAADLO CNC(=O)NC(=O)CC[N@@H+]1C[C@@H](O)C[C@@H]1C(=O)OC ZINC000163711968 373294476 /nfs/dbraw/zinc/29/44/76/373294476.db2.gz WWTUFVNNPPHDJV-JGVFFNPUSA-N 1 2 273.289 -1.560 20 0 CAADLO CNC(=O)NC(=O)CC[N@H+]1C[C@@H](O)C[C@@H]1C(=O)OC ZINC000163711968 373294480 /nfs/dbraw/zinc/29/44/80/373294480.db2.gz WWTUFVNNPPHDJV-JGVFFNPUSA-N 1 2 273.289 -1.560 20 0 CAADLO CNC(=O)NC(=O)CC[N@@H+]1C[C@H](O)C[C@@H]1C(=O)OC ZINC000163711832 373294516 /nfs/dbraw/zinc/29/45/16/373294516.db2.gz WWTUFVNNPPHDJV-HTQZYQBOSA-N 1 2 273.289 -1.560 20 0 CAADLO CNC(=O)NC(=O)CC[N@H+]1C[C@H](O)C[C@@H]1C(=O)OC ZINC000163711832 373294518 /nfs/dbraw/zinc/29/45/18/373294518.db2.gz WWTUFVNNPPHDJV-HTQZYQBOSA-N 1 2 273.289 -1.560 20 0 CAADLO O=C(NCCn1cc[nH+]c1)C(=O)N1CCNC(=O)C1 ZINC000339707452 373296427 /nfs/dbraw/zinc/29/64/27/373296427.db2.gz DFDFQMDWFSTMON-UHFFFAOYSA-N 1 2 265.273 -2.042 20 0 CAADLO Cn1cnnc1S(=O)(=O)NCCC[NH+]1CCOCC1 ZINC000631638444 373329305 /nfs/dbraw/zinc/32/93/05/373329305.db2.gz NPMSMNJMKINNJC-UHFFFAOYSA-N 1 2 289.361 -1.184 20 0 CAADLO C[C@H](O)CN(C(=O)C(=O)N1CC[NH+](C)CC1)[C@@H](C)CO ZINC000410865005 373299262 /nfs/dbraw/zinc/29/92/62/373299262.db2.gz NUDBYYRCUIMURB-QWRGUYRKSA-N 1 2 287.360 -1.649 20 0 CAADLO Cc1c[nH]c(CN2CCN(CC(N)=O)C(=O)C2)[nH+]1 ZINC000628308797 373300318 /nfs/dbraw/zinc/30/03/18/373300318.db2.gz LNSOTYSMYRXGFI-UHFFFAOYSA-N 1 2 251.290 -1.152 20 0 CAADLO CCNC(=O)NC(=O)C[N@@H+]1CC[C@@H](S(N)(=O)=O)C1 ZINC000339839940 373301703 /nfs/dbraw/zinc/30/17/03/373301703.db2.gz HITOECFJAIAANC-SSDOTTSWSA-N 1 2 278.334 -1.805 20 0 CAADLO CCNC(=O)NC(=O)C[N@H+]1CC[C@@H](S(N)(=O)=O)C1 ZINC000339839940 373301714 /nfs/dbraw/zinc/30/17/14/373301714.db2.gz HITOECFJAIAANC-SSDOTTSWSA-N 1 2 278.334 -1.805 20 0 CAADLO COCCCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](S(N)(=O)=O)C1 ZINC000339847616 373301739 /nfs/dbraw/zinc/30/17/39/373301739.db2.gz YQOAACCJJYKHLR-ZJUUUORDSA-N 1 2 293.389 -1.110 20 0 CAADLO COCCCNC(=O)[C@@H](C)[N@H+]1CC[C@H](S(N)(=O)=O)C1 ZINC000339847616 373301743 /nfs/dbraw/zinc/30/17/43/373301743.db2.gz YQOAACCJJYKHLR-ZJUUUORDSA-N 1 2 293.389 -1.110 20 0 CAADLO CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](S(N)(=O)=O)C1 ZINC000339843647 373302219 /nfs/dbraw/zinc/30/22/19/373302219.db2.gz WDTVMPIYAKSRJN-HTQZYQBOSA-N 1 2 292.361 -1.417 20 0 CAADLO CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@@H](S(N)(=O)=O)C1 ZINC000339843647 373302228 /nfs/dbraw/zinc/30/22/28/373302228.db2.gz WDTVMPIYAKSRJN-HTQZYQBOSA-N 1 2 292.361 -1.417 20 0 CAADLO COCCCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](S(N)(=O)=O)C1 ZINC000339847607 373302624 /nfs/dbraw/zinc/30/26/24/373302624.db2.gz YQOAACCJJYKHLR-NXEZZACHSA-N 1 2 293.389 -1.110 20 0 CAADLO COCCCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](S(N)(=O)=O)C1 ZINC000339847607 373302628 /nfs/dbraw/zinc/30/26/28/373302628.db2.gz YQOAACCJJYKHLR-NXEZZACHSA-N 1 2 293.389 -1.110 20 0 CAADLO CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@H](S(N)(=O)=O)C1 ZINC000339843660 373302643 /nfs/dbraw/zinc/30/26/43/373302643.db2.gz WDTVMPIYAKSRJN-JGVFFNPUSA-N 1 2 292.361 -1.417 20 0 CAADLO CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@@H](S(N)(=O)=O)C1 ZINC000339843660 373302645 /nfs/dbraw/zinc/30/26/45/373302645.db2.gz WDTVMPIYAKSRJN-JGVFFNPUSA-N 1 2 292.361 -1.417 20 0 CAADLO CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@H](S(N)(=O)=O)C1 ZINC000339843661 373302801 /nfs/dbraw/zinc/30/28/01/373302801.db2.gz WDTVMPIYAKSRJN-SFYZADRCSA-N 1 2 292.361 -1.417 20 0 CAADLO CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@H](S(N)(=O)=O)C1 ZINC000339843661 373302808 /nfs/dbraw/zinc/30/28/08/373302808.db2.gz WDTVMPIYAKSRJN-SFYZADRCSA-N 1 2 292.361 -1.417 20 0 CAADLO NS(=O)(=O)CC[NH+]1CCN(c2cnccn2)CC1 ZINC000607150826 373309105 /nfs/dbraw/zinc/30/91/05/373309105.db2.gz YMYMCWAWFYGDGY-UHFFFAOYSA-N 1 2 271.346 -1.113 20 0 CAADLO COC[C@@H](O)C[NH+]1CCN(S(C)(=O)=O)CC1 ZINC000068891282 373315787 /nfs/dbraw/zinc/31/57/87/373315787.db2.gz DFAJCRFNDFDSFM-VIFPVBQESA-N 1 2 252.336 -1.429 20 0 CAADLO COC[C@H](O)C[NH+]1CCN(S(C)(=O)=O)CC1 ZINC000068891281 373315866 /nfs/dbraw/zinc/31/58/66/373315866.db2.gz DFAJCRFNDFDSFM-SECBINFHSA-N 1 2 252.336 -1.429 20 0 CAADLO CO[C@H]1CC[N@H+](CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)C1 ZINC000267752882 373323688 /nfs/dbraw/zinc/32/36/88/373323688.db2.gz DRFKZSDFOARAHA-QMMMGPOBSA-N 1 2 296.327 -1.430 20 0 CAADLO CO[C@H]1CC[N@@H+](CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)C1 ZINC000267752882 373323694 /nfs/dbraw/zinc/32/36/94/373323694.db2.gz DRFKZSDFOARAHA-QMMMGPOBSA-N 1 2 296.327 -1.430 20 0 CAADLO CN1CCO[C@@H](CS(=O)(=O)N2CC[NH+](C)CC2)C1 ZINC000631634865 373323776 /nfs/dbraw/zinc/32/37/76/373323776.db2.gz FXRMVVWINIZAGE-LLVKDONJSA-N 1 2 277.390 -1.106 20 0 CAADLO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)c1nc[nH]n1 ZINC000269559271 373330564 /nfs/dbraw/zinc/33/05/64/373330564.db2.gz QKDMNNXPEAFRNL-QMMMGPOBSA-N 1 2 266.305 -1.126 20 0 CAADLO NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)c1nc[nH]n1 ZINC000269559271 373330568 /nfs/dbraw/zinc/33/05/68/373330568.db2.gz QKDMNNXPEAFRNL-QMMMGPOBSA-N 1 2 266.305 -1.126 20 0 CAADLO COCCNc1nc(N2CC(O)C2)nc(N2CC(O)C2)[nH+]1 ZINC000268219887 373326561 /nfs/dbraw/zinc/32/65/61/373326561.db2.gz IJXHZPKCVXMEFF-UHFFFAOYSA-N 1 2 296.331 -1.708 20 0 CAADLO COCCNc1nc(N2CC(O)C2)[nH+]c(N2CC(O)C2)n1 ZINC000268219887 373326569 /nfs/dbraw/zinc/32/65/69/373326569.db2.gz IJXHZPKCVXMEFF-UHFFFAOYSA-N 1 2 296.331 -1.708 20 0 CAADLO COC(=O)CC[N@@H+]1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC000268979193 373328421 /nfs/dbraw/zinc/32/84/21/373328421.db2.gz CPQJSDCJWHZKQS-MRVPVSSYSA-N 1 2 255.274 -1.808 20 0 CAADLO COC(=O)CC[N@H+]1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC000268979193 373328426 /nfs/dbraw/zinc/32/84/26/373328426.db2.gz CPQJSDCJWHZKQS-MRVPVSSYSA-N 1 2 255.274 -1.808 20 0 CAADLO COC(=O)CC[N@@H+]1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC000268979194 373328514 /nfs/dbraw/zinc/32/85/14/373328514.db2.gz CPQJSDCJWHZKQS-QMMMGPOBSA-N 1 2 255.274 -1.808 20 0 CAADLO COC(=O)CC[N@H+]1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC000268979194 373328518 /nfs/dbraw/zinc/32/85/18/373328518.db2.gz CPQJSDCJWHZKQS-QMMMGPOBSA-N 1 2 255.274 -1.808 20 0 CAADLO CCOC(=O)CC[N@@H+]1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC000269042015 373328608 /nfs/dbraw/zinc/32/86/08/373328608.db2.gz VRBOVVQKKPMURG-SECBINFHSA-N 1 2 269.301 -1.418 20 0 CAADLO CCOC(=O)CC[N@H+]1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC000269042015 373328615 /nfs/dbraw/zinc/32/86/15/373328615.db2.gz VRBOVVQKKPMURG-SECBINFHSA-N 1 2 269.301 -1.418 20 0 CAADLO C[C@H](O)CNC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000339188286 373286606 /nfs/dbraw/zinc/28/66/06/373286606.db2.gz IDPKRXFCEUWNFC-NWDGAFQWSA-N 1 2 299.371 -1.336 20 0 CAADLO C[C@@H](C(=O)NCCN1CCOCC1)N1CC[NH2+]CC1=O ZINC000638047952 373374009 /nfs/dbraw/zinc/37/40/09/373374009.db2.gz LAKGPSNYDXZTHA-NSHDSACASA-N 1 2 284.360 -1.745 20 0 CAADLO C[C@@H](C(=O)N1CCN2C(=O)NC[C@@H]2C1)N1CC[NH2+]CC1=O ZINC000638044344 373374207 /nfs/dbraw/zinc/37/42/07/373374207.db2.gz UGURLUXWVRNTQE-VHSXEESVSA-N 1 2 295.343 -1.957 20 0 CAADLO CC[N@H+](CC(=O)NCCC(=O)OC)[C@@H]1CCNC1=O ZINC000282530282 373375601 /nfs/dbraw/zinc/37/56/01/373375601.db2.gz YYFPQWAEHNXWFI-SECBINFHSA-N 1 2 271.317 -1.124 20 0 CAADLO CC[N@@H+](CC(=O)NCCC(=O)OC)[C@@H]1CCNC1=O ZINC000282530282 373375610 /nfs/dbraw/zinc/37/56/10/373375610.db2.gz YYFPQWAEHNXWFI-SECBINFHSA-N 1 2 271.317 -1.124 20 0 CAADLO C[C@@H](C(=O)NCCCn1cncn1)N1CC[NH2+]CC1=O ZINC000638062443 373375852 /nfs/dbraw/zinc/37/58/52/373375852.db2.gz NRQZHTACLMIKJN-JTQLQIEISA-N 1 2 280.332 -1.395 20 0 CAADLO O=C(CN1CC(=O)NC1=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000269539983 373332365 /nfs/dbraw/zinc/33/23/65/373332365.db2.gz WMYAKLRJWHLRNI-VIFPVBQESA-N 1 2 281.316 -2.346 20 0 CAADLO Cn1c2[nH]c(C[N@H+](CCO)C3CC3)nc2c(=O)n(C)c1=O ZINC000270675518 373334341 /nfs/dbraw/zinc/33/43/41/373334341.db2.gz SRFDSDPRSBEDCL-UHFFFAOYSA-N 1 2 293.327 -1.083 20 0 CAADLO Cn1c2[nH]c(C[N@@H+](CCO)C3CC3)nc2c(=O)n(C)c1=O ZINC000270675518 373334346 /nfs/dbraw/zinc/33/43/46/373334346.db2.gz SRFDSDPRSBEDCL-UHFFFAOYSA-N 1 2 293.327 -1.083 20 0 CAADLO COCCN1CC[N@H+](CCC(=O)NC(N)=O)CC1=O ZINC000271093816 373335691 /nfs/dbraw/zinc/33/56/91/373335691.db2.gz JNNHSHPDLLXTAD-UHFFFAOYSA-N 1 2 272.305 -1.638 20 0 CAADLO COCCN1CC[N@@H+](CCC(=O)NC(N)=O)CC1=O ZINC000271093816 373335699 /nfs/dbraw/zinc/33/56/99/373335699.db2.gz JNNHSHPDLLXTAD-UHFFFAOYSA-N 1 2 272.305 -1.638 20 0 CAADLO CNC(=O)NC(=O)CC[N@@H+]1CCN(CCOC)C(=O)C1 ZINC000271086016 373336466 /nfs/dbraw/zinc/33/64/66/373336466.db2.gz CGILVEQJXRHCGP-UHFFFAOYSA-N 1 2 286.332 -1.377 20 0 CAADLO CNC(=O)NC(=O)CC[N@H+]1CCN(CCOC)C(=O)C1 ZINC000271086016 373336470 /nfs/dbraw/zinc/33/64/70/373336470.db2.gz CGILVEQJXRHCGP-UHFFFAOYSA-N 1 2 286.332 -1.377 20 0 CAADLO COC(=O)CNC(=O)C[N@@H+]1CCCC[C@@H]1C(N)=O ZINC000271821344 373338652 /nfs/dbraw/zinc/33/86/52/373338652.db2.gz NASIABWQXOZZFR-MRVPVSSYSA-N 1 2 257.290 -1.385 20 0 CAADLO COC(=O)CNC(=O)C[N@H+]1CCCC[C@@H]1C(N)=O ZINC000271821344 373338658 /nfs/dbraw/zinc/33/86/58/373338658.db2.gz NASIABWQXOZZFR-MRVPVSSYSA-N 1 2 257.290 -1.385 20 0 CAADLO CCNC(=O)NC(=O)C[NH+]1CCC(O)(C(=O)OC)CC1 ZINC000271412597 373338803 /nfs/dbraw/zinc/33/88/03/373338803.db2.gz NXBHDPLFVBSYEO-UHFFFAOYSA-N 1 2 287.316 -1.168 20 0 CAADLO C[N@H+](CC(N)=O)CC(=O)NCC(=O)OC(C)(C)C ZINC000272979448 373343252 /nfs/dbraw/zinc/34/32/52/373343252.db2.gz CUPPVAUCBWWAOX-UHFFFAOYSA-N 1 2 259.306 -1.139 20 0 CAADLO C[N@@H+](CC(N)=O)CC(=O)NCC(=O)OC(C)(C)C ZINC000272979448 373343260 /nfs/dbraw/zinc/34/32/60/373343260.db2.gz CUPPVAUCBWWAOX-UHFFFAOYSA-N 1 2 259.306 -1.139 20 0 CAADLO COC(=O)CC[N@H+](CC(=O)NC(N)=O)CC(OC)OC ZINC000272740102 373343441 /nfs/dbraw/zinc/34/34/41/373343441.db2.gz GUECKTCFYANTIW-UHFFFAOYSA-N 1 2 291.304 -1.335 20 0 CAADLO COC(=O)CC[N@@H+](CC(=O)NC(N)=O)CC(OC)OC ZINC000272740102 373343444 /nfs/dbraw/zinc/34/34/44/373343444.db2.gz GUECKTCFYANTIW-UHFFFAOYSA-N 1 2 291.304 -1.335 20 0 CAADLO C[C@@H](C(=O)NCCCN1CCCC1=O)N1CC[NH2+]CC1=O ZINC000637870729 373357690 /nfs/dbraw/zinc/35/76/90/373357690.db2.gz JEOHYIBFOOPDIB-NSHDSACASA-N 1 2 296.371 -1.065 20 0 CAADLO CC(C)C(=O)NCCNC(=O)[C@@H](C)N1CC[NH2+]CC1=O ZINC000637887692 373357979 /nfs/dbraw/zinc/35/79/79/373357979.db2.gz XIKJLICINFIVCF-SNVBAGLBSA-N 1 2 284.360 -1.305 20 0 CAADLO CC(C)NC(=O)CCNC(=O)[C@@H](C)N1CC[NH2+]CC1=O ZINC000637904367 373359269 /nfs/dbraw/zinc/35/92/69/373359269.db2.gz SAVKBMVKZYZIHI-SNVBAGLBSA-N 1 2 284.360 -1.162 20 0 CAADLO CC(=O)NCCCNC(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000637923657 373359285 /nfs/dbraw/zinc/35/92/85/373359285.db2.gz AFVLWZBGNASKGY-VIFPVBQESA-N 1 2 270.333 -1.551 20 0 CAADLO COCCOCCCNC(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000637892677 373359302 /nfs/dbraw/zinc/35/93/02/373359302.db2.gz LSYXFFCGEDYLSJ-NSHDSACASA-N 1 2 287.360 -1.024 20 0 CAADLO C[C@@H](C(=O)NCc1ccnn1C)N1CC[NH2+]CC1=O ZINC000637926095 373359398 /nfs/dbraw/zinc/35/93/98/373359398.db2.gz BVQXMSCROFMMCR-VIFPVBQESA-N 1 2 265.317 -1.143 20 0 CAADLO CCN(CC(=O)N(C)C)C(=O)[C@@H](C)N1CC[NH2+]CC1=O ZINC000637920404 373359742 /nfs/dbraw/zinc/35/97/42/373359742.db2.gz SPOIVWGUOQSLLI-SNVBAGLBSA-N 1 2 284.360 -1.257 20 0 CAADLO CC(C)NC(=O)CNC(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000637892105 373359809 /nfs/dbraw/zinc/35/98/09/373359809.db2.gz OCQVBVQTNUKIPC-VIFPVBQESA-N 1 2 270.333 -1.553 20 0 CAADLO CCCNC(=O)CNC(=O)[C@@H](C)N1CC[NH2+]CC1=O ZINC000637890038 373360039 /nfs/dbraw/zinc/36/00/39/373360039.db2.gz QUILOKSSJCHRBF-SECBINFHSA-N 1 2 270.333 -1.551 20 0 CAADLO CCN(CC(=O)N(C)C)C(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000637920396 373360223 /nfs/dbraw/zinc/36/02/23/373360223.db2.gz SPOIVWGUOQSLLI-JTQLQIEISA-N 1 2 284.360 -1.257 20 0 CAADLO C[C@H](C(=O)NCCCC(=O)NC1CC1)N1CC[NH2+]CC1=O ZINC000637930429 373361744 /nfs/dbraw/zinc/36/17/44/373361744.db2.gz NMKRMUKHIHTYHL-SNVBAGLBSA-N 1 2 296.371 -1.018 20 0 CAADLO C[C@@H](C(=O)NCCCS(C)(=O)=O)N1CC[NH2+]CC1=O ZINC000637932585 373361901 /nfs/dbraw/zinc/36/19/01/373361901.db2.gz QUFQHHDPADBTFV-VIFPVBQESA-N 1 2 291.373 -1.642 20 0 CAADLO CNC(=O)[C@H]1CCCCN1C(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000637927314 373362212 /nfs/dbraw/zinc/36/22/12/373362212.db2.gz UVWFFHVXYJYZPK-WDEREUQCSA-N 1 2 296.371 -1.066 20 0 CAADLO CNC(=O)[C@@H]1CCCCN1C(=O)[C@@H](C)N1CC[NH2+]CC1=O ZINC000637927310 373362230 /nfs/dbraw/zinc/36/22/30/373362230.db2.gz UVWFFHVXYJYZPK-MNOVXSKESA-N 1 2 296.371 -1.066 20 0 CAADLO C[C@H](C(=O)N[C@@H](C)CN1CCCC1=O)N1CC[NH2+]CC1=O ZINC000637939815 373362339 /nfs/dbraw/zinc/36/23/39/373362339.db2.gz RIIGUUGWMMPLNY-WDEREUQCSA-N 1 2 296.371 -1.066 20 0 CAADLO COCCOCCNC(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000637933221 373362388 /nfs/dbraw/zinc/36/23/88/373362388.db2.gz DRYZIKIBKUOIFB-JTQLQIEISA-N 1 2 273.333 -1.414 20 0 CAADLO C[C@H](C(=O)N[C@@H]1CC(=O)N(C)C1)N1CC[NH2+]CC1=O ZINC000637961961 373362616 /nfs/dbraw/zinc/36/26/16/373362616.db2.gz QLUFZNKAYBQLHI-RKDXNWHRSA-N 1 2 268.317 -1.846 20 0 CAADLO C[C@H](C(=O)N1CCNC(=O)[C@@H]1C)N1CC[NH2+]CC1=O ZINC000637963037 373362887 /nfs/dbraw/zinc/36/28/87/373362887.db2.gz JYDKBTAKFTYJNJ-DTWKUNHWSA-N 1 2 268.317 -1.846 20 0 CAADLO C[C@H](C(=O)NCCc1cnn(C)c1)N1CC[NH2+]CC1=O ZINC000637931268 373363139 /nfs/dbraw/zinc/36/31/39/373363139.db2.gz HJFZLVWTYVNJGR-SNVBAGLBSA-N 1 2 279.344 -1.101 20 0 CAADLO CNC(=O)[C@H]1CCCN1C(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000637938438 373363173 /nfs/dbraw/zinc/36/31/73/373363173.db2.gz XWJSENPFDCNCRV-VHSXEESVSA-N 1 2 282.344 -1.456 20 0 CAADLO C[C@H](C(=O)N1CCC(CC(N)=O)CC1)N1CC[NH2+]CC1=O ZINC000637926573 373363227 /nfs/dbraw/zinc/36/32/27/373363227.db2.gz HTWSBSICINPCEC-SNVBAGLBSA-N 1 2 296.371 -1.079 20 0 CAADLO C[C@H](Cn1cncn1)NC(=O)[C@@H](C)N1CC[NH2+]CC1=O ZINC000637934534 373363247 /nfs/dbraw/zinc/36/32/47/373363247.db2.gz JOQWGITWLCXXPZ-NXEZZACHSA-N 1 2 280.332 -1.397 20 0 CAADLO CNC(=O)[C@@H]1CCCN1C(=O)[C@@H](C)N1CC[NH2+]CC1=O ZINC000637938440 373363280 /nfs/dbraw/zinc/36/32/80/373363280.db2.gz XWJSENPFDCNCRV-ZJUUUORDSA-N 1 2 282.344 -1.456 20 0 CAADLO C[C@H](C(=O)NCCC(=O)N(C)C)N1CC[NH2+]CC1=O ZINC000637936233 373363622 /nfs/dbraw/zinc/36/36/22/373363622.db2.gz RONBUJLEGRQSOM-SECBINFHSA-N 1 2 270.333 -1.599 20 0 CAADLO C[C@@H](C(=O)NCCC(=O)N(C)C)N1CC[NH2+]CC1=O ZINC000637936236 373363633 /nfs/dbraw/zinc/36/36/33/373363633.db2.gz RONBUJLEGRQSOM-VIFPVBQESA-N 1 2 270.333 -1.599 20 0 CAADLO CC(C)N1C[C@@H](NC(=O)[C@H](C)N2CC[NH2+]CC2=O)CC1=O ZINC000637973848 373364934 /nfs/dbraw/zinc/36/49/34/373364934.db2.gz NRVQFSZQERXBSJ-QWRGUYRKSA-N 1 2 296.371 -1.068 20 0 CAADLO CNC(=O)[C@@H]1CCCN(C(=O)[C@@H](C)N2CC[NH2+]CC2=O)C1 ZINC000637993787 373364963 /nfs/dbraw/zinc/36/49/63/373364963.db2.gz SVMBGYOCCZQRND-GHMZBOCLSA-N 1 2 296.371 -1.209 20 0 CAADLO C[C@H](CS(C)(=O)=O)NC(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000638001595 373364994 /nfs/dbraw/zinc/36/49/94/373364994.db2.gz WPHQCHJLPWFAPQ-BDAKNGLRSA-N 1 2 291.373 -1.644 20 0 CAADLO CC(C)N1C[C@@H](NC(=O)[C@@H](C)N2CC[NH2+]CC2=O)CC1=O ZINC000637973847 373365330 /nfs/dbraw/zinc/36/53/30/373365330.db2.gz NRVQFSZQERXBSJ-MNOVXSKESA-N 1 2 296.371 -1.068 20 0 CAADLO C[C@H](C(=O)N[C@H]1CCN(C)C1=O)N1CC[NH2+]CC1=O ZINC000637993553 373365645 /nfs/dbraw/zinc/36/56/45/373365645.db2.gz ZSAOZHKFGOYHJS-BDAKNGLRSA-N 1 2 268.317 -1.846 20 0 CAADLO CC(C)[C@H]1C(=O)NCCN1C(=O)[C@@H](C)N1CC[NH2+]CC1=O ZINC000637981168 373365716 /nfs/dbraw/zinc/36/57/16/373365716.db2.gz XTBCUNXQTFEPGA-PWSUYJOCSA-N 1 2 296.371 -1.210 20 0 CAADLO CNC(=O)CCN(C)C(=O)[C@@H](C)N1CC[NH2+]CC1=O ZINC000637979279 373365786 /nfs/dbraw/zinc/36/57/86/373365786.db2.gz SAMVQBPPSBRQNV-SECBINFHSA-N 1 2 270.333 -1.599 20 0 CAADLO C[C@H](C(=O)N[C@@H](C)CS(C)(=O)=O)N1CC[NH2+]CC1=O ZINC000638001601 373365891 /nfs/dbraw/zinc/36/58/91/373365891.db2.gz WPHQCHJLPWFAPQ-DTWKUNHWSA-N 1 2 291.373 -1.644 20 0 CAADLO CC[C@@H]1C(=O)NCCN1C(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000637977849 373365946 /nfs/dbraw/zinc/36/59/46/373365946.db2.gz FMEKNKWTLSJCJN-VHSXEESVSA-N 1 2 282.344 -1.456 20 0 CAADLO CC(C)N1CC[C@@H](NC(=O)[C@H](C)N2CC[NH2+]CC2=O)C1=O ZINC000637999932 373366061 /nfs/dbraw/zinc/36/60/61/373366061.db2.gz LMQXURWJPPDFSZ-WDEREUQCSA-N 1 2 296.371 -1.068 20 0 CAADLO C[C@@H](C(=O)N1CCS(=O)(=O)CC1)N1CC[NH2+]CC1=O ZINC000637978182 373366156 /nfs/dbraw/zinc/36/61/56/373366156.db2.gz MRLNPACDIGURMI-VIFPVBQESA-N 1 2 289.357 -1.936 20 0 CAADLO C[C@@H](C(=O)N[C@H]1CCN(C)C1=O)N1CC[NH2+]CC1=O ZINC000637993556 373366244 /nfs/dbraw/zinc/36/62/44/373366244.db2.gz ZSAOZHKFGOYHJS-IUCAKERBSA-N 1 2 268.317 -1.846 20 0 CAADLO Cn1nncc1C(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000281458777 373367470 /nfs/dbraw/zinc/36/74/70/373367470.db2.gz IJEFSKZLORJSAS-SECBINFHSA-N 1 2 250.306 -1.455 20 0 CAADLO C[C@H](C(=O)NCCN1C(=O)CCC1=O)N1CC[NH2+]CC1=O ZINC000638002984 373367888 /nfs/dbraw/zinc/36/78/88/373367888.db2.gz YSPHBFWEGGHYQZ-SECBINFHSA-N 1 2 296.327 -1.928 20 0 CAADLO COC[C@H]1CN(C(=O)[C@H](C)N2CC[NH2+]CC2=O)CCO1 ZINC000638007544 373367913 /nfs/dbraw/zinc/36/79/13/373367913.db2.gz RWZCXNVSIUINHM-WDEREUQCSA-N 1 2 285.344 -1.320 20 0 CAADLO Cn1nncc1C(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000281458779 373368767 /nfs/dbraw/zinc/36/87/67/373368767.db2.gz IJEFSKZLORJSAS-VIFPVBQESA-N 1 2 250.306 -1.455 20 0 CAADLO C[C@@H](C(=O)N[C@H]1CC(=O)N(C2CC2)C1)N1CC[NH2+]CC1=O ZINC000638004404 373368924 /nfs/dbraw/zinc/36/89/24/373368924.db2.gz ZBEBHBOIMJLKDX-UWVGGRQHSA-N 1 2 294.355 -1.314 20 0 CAADLO C[C@@H](C(=O)N1CCC[C@H](CC(N)=O)C1)N1CC[NH2+]CC1=O ZINC000638031688 373370007 /nfs/dbraw/zinc/37/00/07/373370007.db2.gz TYHVAUUKFHALAG-WDEREUQCSA-N 1 2 296.371 -1.079 20 0 CAADLO C[C@H](C(=O)N1CCC[C@@H](CC(N)=O)C1)N1CC[NH2+]CC1=O ZINC000638031686 373370137 /nfs/dbraw/zinc/37/01/37/373370137.db2.gz TYHVAUUKFHALAG-MNOVXSKESA-N 1 2 296.371 -1.079 20 0 CAADLO CNC(=O)[C@@H](C)CN(C)C(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000638039908 373371393 /nfs/dbraw/zinc/37/13/93/373371393.db2.gz FVSPJDMLEIPCSB-UWVGGRQHSA-N 1 2 284.360 -1.353 20 0 CAADLO C[C@@H](C(=O)N1CCN2C(=O)NC[C@H]2C1)N1CC[NH2+]CC1=O ZINC000638044343 373371615 /nfs/dbraw/zinc/37/16/15/373371615.db2.gz UGURLUXWVRNTQE-UWVGGRQHSA-N 1 2 295.343 -1.957 20 0 CAADLO COCC(=O)N(C)CC(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000340125043 373371814 /nfs/dbraw/zinc/37/18/14/373371814.db2.gz XJSBSBGMRUYLDH-LLVKDONJSA-N 1 2 287.360 -1.072 20 0 CAADLO COCC(=O)N(C)CC(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000340125043 373371819 /nfs/dbraw/zinc/37/18/19/373371819.db2.gz XJSBSBGMRUYLDH-LLVKDONJSA-N 1 2 287.360 -1.072 20 0 CAADLO C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[N@H+](C)[C@H]1CCNC1=O ZINC000340226790 373403260 /nfs/dbraw/zinc/40/32/60/373403260.db2.gz AMBWFGCFXZSPFQ-MXWKQRLJSA-N 1 2 296.371 -1.081 20 0 CAADLO C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[N@@H+](C)[C@H]1CCNC1=O ZINC000340226790 373403272 /nfs/dbraw/zinc/40/32/72/373403272.db2.gz AMBWFGCFXZSPFQ-MXWKQRLJSA-N 1 2 296.371 -1.081 20 0 CAADLO C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[N@H+](C)[C@@H]1CCNC1=O ZINC000340226789 373404515 /nfs/dbraw/zinc/40/45/15/373404515.db2.gz AMBWFGCFXZSPFQ-GMTAPVOTSA-N 1 2 296.371 -1.081 20 0 CAADLO C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[N@@H+](C)[C@@H]1CCNC1=O ZINC000340226789 373404520 /nfs/dbraw/zinc/40/45/20/373404520.db2.gz AMBWFGCFXZSPFQ-GMTAPVOTSA-N 1 2 296.371 -1.081 20 0 CAADLO C[C@@H](C(=O)N(C)CCN1CCOCC1)N1CC[NH2+]CC1=O ZINC000638276996 373405585 /nfs/dbraw/zinc/40/55/85/373405585.db2.gz WBBIIBPBUWLLPS-LBPRGKRZSA-N 1 2 298.387 -1.403 20 0 CAADLO C[C@@H](C(=O)N1CCC[C@H](C(N)=O)C1)N1CC[NH2+]CC1=O ZINC000638271277 373406240 /nfs/dbraw/zinc/40/62/40/373406240.db2.gz OCFCAIRYPSBYBJ-UWVGGRQHSA-N 1 2 282.344 -1.469 20 0 CAADLO C[C@H](C(=O)NCCn1cccn1)N1CC[NH2+]CC1=O ZINC000638275634 373406842 /nfs/dbraw/zinc/40/68/42/373406842.db2.gz IVPXKNRWMLUYDU-SNVBAGLBSA-N 1 2 265.317 -1.180 20 0 CAADLO C[C@H](NC(=O)[C@H](C)N1CC[NH2+]CC1=O)C(=O)N(C)C ZINC000638289141 373408224 /nfs/dbraw/zinc/40/82/24/373408224.db2.gz DPDQICXASVDLQQ-IUCAKERBSA-N 1 2 270.333 -1.600 20 0 CAADLO CCC[C@@H]1C(=O)NCCN1C(=O)[C@@H](C)N1CC[NH2+]CC1=O ZINC000638291683 373408483 /nfs/dbraw/zinc/40/84/83/373408483.db2.gz TVAMCZPEZJRSCT-GHMZBOCLSA-N 1 2 296.371 -1.066 20 0 CAADLO CC(C)Nc1nc(N2C[C@@H](O)[C@H](O)C2)nc(NCCO)[nH+]1 ZINC000287609965 373408953 /nfs/dbraw/zinc/40/89/53/373408953.db2.gz FZSMPJPNNOUHEJ-RKDXNWHRSA-N 1 2 298.347 -1.362 20 0 CAADLO CC(C)Nc1nc(NCCO)[nH+]c(N2C[C@@H](O)[C@H](O)C2)n1 ZINC000287609965 373408965 /nfs/dbraw/zinc/40/89/65/373408965.db2.gz FZSMPJPNNOUHEJ-RKDXNWHRSA-N 1 2 298.347 -1.362 20 0 CAADLO CC(C)Nc1nc(NCCO)nc(N2C[C@@H](O)[C@H](O)C2)[nH+]1 ZINC000287609965 373408974 /nfs/dbraw/zinc/40/89/74/373408974.db2.gz FZSMPJPNNOUHEJ-RKDXNWHRSA-N 1 2 298.347 -1.362 20 0 CAADLO C[C@@H](C(=O)NCCNC(=O)N(C)C)N1CC[NH2+]CC1=O ZINC000638282118 373409087 /nfs/dbraw/zinc/40/90/87/373409087.db2.gz KPJFWUCBUWBPOD-VIFPVBQESA-N 1 2 285.348 -1.806 20 0 CAADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)C(=O)N1CC[C@H](CO)C1 ZINC000340252531 373409437 /nfs/dbraw/zinc/40/94/37/373409437.db2.gz UWYHXWXLHQIRKD-RYUDHWBXSA-N 1 2 299.371 -1.336 20 0 CAADLO COCCN(C)C(=O)C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000340257437 373409695 /nfs/dbraw/zinc/40/96/95/373409695.db2.gz JPRZDPOZYROIIW-LLVKDONJSA-N 1 2 287.360 -1.072 20 0 CAADLO C[C@H](C(=O)N1CC[C@@H](C)C[C@H]1C(N)=O)N1CC[NH2+]CC1=O ZINC000638281928 373409818 /nfs/dbraw/zinc/40/98/18/373409818.db2.gz AQSAMGIMTXMLOY-MXWKQRLJSA-N 1 2 296.371 -1.081 20 0 CAADLO C[C@H](C[NH+]1CCOCC1)NC(=O)C(=O)N1CC[C@H](CO)C1 ZINC000340252526 373409851 /nfs/dbraw/zinc/40/98/51/373409851.db2.gz UWYHXWXLHQIRKD-NEPJUHHUSA-N 1 2 299.371 -1.336 20 0 CAADLO C[C@H](C[NH+]1CCOCC1)NC(=O)C(=O)N1CCNC(=O)C1 ZINC000340266300 373410898 /nfs/dbraw/zinc/41/08/98/373410898.db2.gz WWULLGVHVCFGRQ-SNVBAGLBSA-N 1 2 298.343 -2.218 20 0 CAADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)C(=O)N(C)[C@@H](C)CO ZINC000340262909 373411204 /nfs/dbraw/zinc/41/12/04/373411204.db2.gz ZRVCNZRUUFSUOY-QWRGUYRKSA-N 1 2 287.360 -1.338 20 0 CAADLO CCN(C)C(=O)CNC(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000638304685 373411474 /nfs/dbraw/zinc/41/14/74/373411474.db2.gz JPXIKOTWMZIRGW-VIFPVBQESA-N 1 2 270.333 -1.599 20 0 CAADLO C[C@H](C[NH+]1CCOCC1)NC(=O)C(=O)N(CCO)C1CC1 ZINC000340260931 373412165 /nfs/dbraw/zinc/41/21/65/373412165.db2.gz SLHFUWHSEQNFFS-LLVKDONJSA-N 1 2 299.371 -1.193 20 0 CAADLO C[C@H](C[NH+]1CCOCC1)NC(=O)C(=O)N(C)CCO ZINC000340262896 373412638 /nfs/dbraw/zinc/41/26/38/373412638.db2.gz ZLCFKUZCHFARQU-SNVBAGLBSA-N 1 2 273.333 -1.726 20 0 CAADLO Cc1[nH]c(C(=O)NCCNS(=O)(=O)N(C)C)c[nH+]1 ZINC000288093672 373414551 /nfs/dbraw/zinc/41/45/51/373414551.db2.gz AFZAEVOORRQOKG-UHFFFAOYSA-N 1 2 275.334 -1.156 20 0 CAADLO C[C@@H](C(=O)N1CCC[C@H]2C(=O)NC[C@H]21)N1CC[NH2+]CC1=O ZINC000638325870 373414576 /nfs/dbraw/zinc/41/45/76/373414576.db2.gz LHACMLLAQSFPSR-HBNTYKKESA-N 1 2 294.355 -1.456 20 0 CAADLO C[C@H](C(=O)N[C@@H](C)C(=O)N1CCCC1)N1CC[NH2+]CC1=O ZINC000638324928 373415095 /nfs/dbraw/zinc/41/50/95/373415095.db2.gz FIPBUERNLXFPAI-WDEREUQCSA-N 1 2 296.371 -1.066 20 0 CAADLO CCN(C)C(=O)[C@H](C)NC(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000638321748 373415238 /nfs/dbraw/zinc/41/52/38/373415238.db2.gz LSRGEESVOVPIPT-UWVGGRQHSA-N 1 2 284.360 -1.210 20 0 CAADLO O=C(NC1CC1)C(=O)N1CC[NH+]([C@H]2COC[C@@H]2O)CC1 ZINC000340283572 373415282 /nfs/dbraw/zinc/41/52/82/373415282.db2.gz LRUCRFWEEHOORH-QWRGUYRKSA-N 1 2 283.328 -1.831 20 0 CAADLO O=C(NC1CC1)C(=O)N1CC[NH+]([C@@H]2COC[C@H]2O)CC1 ZINC000340283565 373415334 /nfs/dbraw/zinc/41/53/34/373415334.db2.gz LRUCRFWEEHOORH-GHMZBOCLSA-N 1 2 283.328 -1.831 20 0 CAADLO CCN(C)C(=O)[C@@H](C)NC(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000638321750 373415378 /nfs/dbraw/zinc/41/53/78/373415378.db2.gz LSRGEESVOVPIPT-ZJUUUORDSA-N 1 2 284.360 -1.210 20 0 CAADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@@H]1CCCC(=O)N1 ZINC000340305107 373417212 /nfs/dbraw/zinc/41/72/12/373417212.db2.gz IMLCZFFVFDNKAQ-RYUDHWBXSA-N 1 2 299.371 -1.193 20 0 CAADLO Cc1cnn(C)c1C[N@@H+]1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC000289271820 373417349 /nfs/dbraw/zinc/41/73/49/373417349.db2.gz NPMIHHRTGUFCOF-SNVBAGLBSA-N 1 2 277.328 -1.129 20 0 CAADLO Cc1cnn(C)c1C[N@H+]1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC000289271820 373417353 /nfs/dbraw/zinc/41/73/53/373417353.db2.gz NPMIHHRTGUFCOF-SNVBAGLBSA-N 1 2 277.328 -1.129 20 0 CAADLO CC(C)[C@@H](CO)NC(=O)[C@@H](C)N1CC[NH2+]CC1=O ZINC000638401040 373419732 /nfs/dbraw/zinc/41/97/32/373419732.db2.gz YYWLTUMRQNFMBA-NXEZZACHSA-N 1 2 257.334 -1.060 20 0 CAADLO C[C@@H](C(=O)NCCN1CCCC1=O)N1CC[NH2+]CC1=O ZINC000638390528 373419814 /nfs/dbraw/zinc/41/98/14/373419814.db2.gz MXGLLORAODFSLV-JTQLQIEISA-N 1 2 282.344 -1.455 20 0 CAADLO C[C@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1cn(C)nn1 ZINC000340311112 373420022 /nfs/dbraw/zinc/42/00/22/373420022.db2.gz BQSVARDABKBOPC-QMMMGPOBSA-N 1 2 266.305 -1.084 20 0 CAADLO C[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1cn(C)nn1 ZINC000340311112 373420030 /nfs/dbraw/zinc/42/00/30/373420030.db2.gz BQSVARDABKBOPC-QMMMGPOBSA-N 1 2 266.305 -1.084 20 0 CAADLO CC(C)[C@@H](CO)NC(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000638401041 373420091 /nfs/dbraw/zinc/42/00/91/373420091.db2.gz YYWLTUMRQNFMBA-VHSXEESVSA-N 1 2 257.334 -1.060 20 0 CAADLO C[C@H](C(=O)NCCN1CCCC1=O)N1CC[NH2+]CC1=O ZINC000638390529 373420177 /nfs/dbraw/zinc/42/01/77/373420177.db2.gz MXGLLORAODFSLV-SNVBAGLBSA-N 1 2 282.344 -1.455 20 0 CAADLO C[C@H](C(=O)N(C)C[C@@H]1COCCO1)N1CC[NH2+]CC1=O ZINC000638413568 373420329 /nfs/dbraw/zinc/42/03/29/373420329.db2.gz AJOJYPYGIVCQGB-GHMZBOCLSA-N 1 2 285.344 -1.320 20 0 CAADLO COC[C@H](CCNC(=O)[C@H](C)N1CC[NH2+]CC1=O)OC ZINC000638403631 373420382 /nfs/dbraw/zinc/42/03/82/373420382.db2.gz DJLQQOSSMBQGDP-QWRGUYRKSA-N 1 2 287.360 -1.026 20 0 CAADLO C[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1cn(C)nn1 ZINC000340311111 373420423 /nfs/dbraw/zinc/42/04/23/373420423.db2.gz BQSVARDABKBOPC-MRVPVSSYSA-N 1 2 266.305 -1.084 20 0 CAADLO C[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1cn(C)nn1 ZINC000340311111 373420427 /nfs/dbraw/zinc/42/04/27/373420427.db2.gz BQSVARDABKBOPC-MRVPVSSYSA-N 1 2 266.305 -1.084 20 0 CAADLO C[C@@H](C(=O)NCCCc1ncn(C)n1)N1CC[NH2+]CC1=O ZINC000638372002 373420719 /nfs/dbraw/zinc/42/07/19/373420719.db2.gz RSOMHQXCGHJSKA-JTQLQIEISA-N 1 2 294.359 -1.316 20 0 CAADLO CO[C@H](CNC(=O)[C@H](C)N1CC[NH2+]CC1=O)[C@H]1CCOC1 ZINC000638411827 373420809 /nfs/dbraw/zinc/42/08/09/373420809.db2.gz RGGJMXDZMQORFE-SDDRHHMPSA-N 1 2 299.371 -1.026 20 0 CAADLO CC(=O)N[C@@H]1CCN(C(=O)[C@@H](C)N2CC[NH2+]CC2=O)C1 ZINC000638406141 373420835 /nfs/dbraw/zinc/42/08/35/373420835.db2.gz FXQLMQSMYPUUGQ-MWLCHTKSSA-N 1 2 282.344 -1.456 20 0 CAADLO C[C@H](C(=O)NC[C@H](C)S(C)(=O)=O)N1CC[NH2+]CC1=O ZINC000638433550 373421966 /nfs/dbraw/zinc/42/19/66/373421966.db2.gz WUWFLKBODGJPER-DTWKUNHWSA-N 1 2 291.373 -1.644 20 0 CAADLO C[C@@H](C(=O)N1CCC(=O)N(C)CC1)N1CC[NH2+]CC1=O ZINC000638421436 373422362 /nfs/dbraw/zinc/42/23/62/373422362.db2.gz VNKKWXHFGZYZAH-JTQLQIEISA-N 1 2 282.344 -1.503 20 0 CAADLO C[C@H](C(=O)NC[C@@H]1CCC(=O)N1)N1CC[NH2+]CC1=O ZINC000638421927 373422690 /nfs/dbraw/zinc/42/26/90/373422690.db2.gz AJBDKZRDICNAEX-BDAKNGLRSA-N 1 2 268.317 -1.799 20 0 CAADLO C[C@H](C(=O)N1CCC(=O)N(C)CC1)N1CC[NH2+]CC1=O ZINC000638421437 373423218 /nfs/dbraw/zinc/42/32/18/373423218.db2.gz VNKKWXHFGZYZAH-SNVBAGLBSA-N 1 2 282.344 -1.503 20 0 CAADLO C[C@@H](CNC(=O)[C@H](C)N1CC[NH2+]CC1=O)S(C)(=O)=O ZINC000638433551 373423401 /nfs/dbraw/zinc/42/34/01/373423401.db2.gz WUWFLKBODGJPER-IUCAKERBSA-N 1 2 291.373 -1.644 20 0 CAADLO CC(C)N(C[C@@H]1CCC(=O)N1)C(=O)CN1CC[NH2+]CC1=O ZINC000638451381 373426584 /nfs/dbraw/zinc/42/65/84/373426584.db2.gz NLHSNEARIJPLKL-NSHDSACASA-N 1 2 296.371 -1.066 20 0 CAADLO O=C(NCCn1cc[nH+]c1)C(=O)N1CCOCC1 ZINC000283074119 373379785 /nfs/dbraw/zinc/37/97/85/373379785.db2.gz FTAYALIGUBOUID-UHFFFAOYSA-N 1 2 252.274 -1.142 20 0 CAADLO C[C@H]1C(=O)NCCN1C(=O)C(=O)NCCCn1cc[nH+]c1 ZINC000283375685 373381436 /nfs/dbraw/zinc/38/14/36/373381436.db2.gz VWGUHMHWZIRIFZ-JTQLQIEISA-N 1 2 293.327 -1.264 20 0 CAADLO C[C@@H](C(=O)NCc1nccn1C)N1CC[NH2+]CC1=O ZINC000638102520 373383987 /nfs/dbraw/zinc/38/39/87/373383987.db2.gz IHKGYRLWVLENBA-VIFPVBQESA-N 1 2 265.317 -1.143 20 0 CAADLO C[C@H](C(=O)NCCc1ncc[nH]1)N1CC[NH2+]CC1=O ZINC000638113933 373384072 /nfs/dbraw/zinc/38/40/72/373384072.db2.gz RBXMHWPRENYUGU-SECBINFHSA-N 1 2 265.317 -1.111 20 0 CAADLO COCCCN(CCO)C(=O)C(=O)NCCn1cc[nH+]c1 ZINC000284104490 373385122 /nfs/dbraw/zinc/38/51/22/373385122.db2.gz VKTWTNHDSBIORQ-UHFFFAOYSA-N 1 2 298.343 -1.143 20 0 CAADLO NC(=O)NC(=O)C[N@@H+]1CCC[C@@H](c2n[nH]c(=O)o2)C1 ZINC000284278771 373388357 /nfs/dbraw/zinc/38/83/57/373388357.db2.gz NHJMUZFGDZOXJG-ZCFIWIBFSA-N 1 2 269.261 -1.263 20 0 CAADLO NC(=O)NC(=O)C[N@H+]1CCC[C@@H](c2n[nH]c(=O)o2)C1 ZINC000284278771 373388366 /nfs/dbraw/zinc/38/83/66/373388366.db2.gz NHJMUZFGDZOXJG-ZCFIWIBFSA-N 1 2 269.261 -1.263 20 0 CAADLO CCc1nncn1CCNC(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000638123068 373389361 /nfs/dbraw/zinc/38/93/61/373389361.db2.gz NKOJRAXDVNBEHF-JTQLQIEISA-N 1 2 294.359 -1.223 20 0 CAADLO C[C@@H](CNC(=O)C(=O)N1CC[C@@H](CO)C1)[NH+]1CCOCC1 ZINC000340198120 373390589 /nfs/dbraw/zinc/39/05/89/373390589.db2.gz CSEXNHSCEURAMV-NWDGAFQWSA-N 1 2 299.371 -1.336 20 0 CAADLO CNC(=O)C(=O)N1CC[NH+]([C@H](C)CC(=O)OC)CC1 ZINC000285215320 373390777 /nfs/dbraw/zinc/39/07/77/373390777.db2.gz MIHYWWKMOJZOCS-SECBINFHSA-N 1 2 271.317 -1.172 20 0 CAADLO C[C@@H](C(=O)N1CC[NH+](C)CC1)N1CCNCC1=O ZINC000638149210 373391704 /nfs/dbraw/zinc/39/17/04/373391704.db2.gz GQHRZSGBOPCVMJ-JTQLQIEISA-N 1 2 254.334 -1.419 20 0 CAADLO Cc1nc(N2CCN(C(=O)CO)CC2)nc(N(C)C)[nH+]1 ZINC000340199441 373391866 /nfs/dbraw/zinc/39/18/66/373391866.db2.gz CDPXMKRXYDPUDH-UHFFFAOYSA-N 1 2 280.332 -1.113 20 0 CAADLO Cc1nc(N(C)C)nc(N2CCN(C(=O)CO)CC2)[nH+]1 ZINC000340199441 373391879 /nfs/dbraw/zinc/39/18/79/373391879.db2.gz CDPXMKRXYDPUDH-UHFFFAOYSA-N 1 2 280.332 -1.113 20 0 CAADLO O=c1ccc(C[N@@H+]2CCN3C(=O)C(=O)NC[C@H]3C2)c[nH]1 ZINC000638165206 373392311 /nfs/dbraw/zinc/39/23/11/373392311.db2.gz LJZKUAYJBCQWGT-JTQLQIEISA-N 1 2 276.296 -1.070 20 0 CAADLO O=c1ccc(C[N@H+]2CCN3C(=O)C(=O)NC[C@H]3C2)c[nH]1 ZINC000638165206 373392322 /nfs/dbraw/zinc/39/23/22/373392322.db2.gz LJZKUAYJBCQWGT-JTQLQIEISA-N 1 2 276.296 -1.070 20 0 CAADLO CO[C@@H](C)C[N@H+](C)CC(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000285672908 373395719 /nfs/dbraw/zinc/39/57/19/373395719.db2.gz MSXJWMADHIEXTQ-QMMMGPOBSA-N 1 2 298.343 -1.184 20 0 CAADLO CO[C@@H](C)C[N@@H+](C)CC(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000285672908 373395726 /nfs/dbraw/zinc/39/57/26/373395726.db2.gz MSXJWMADHIEXTQ-QMMMGPOBSA-N 1 2 298.343 -1.184 20 0 CAADLO Cn1c2[nH]c(C[N@H+](C)C3(CO)CC3)nc2c(=O)n(C)c1=O ZINC000285372826 373396101 /nfs/dbraw/zinc/39/61/01/373396101.db2.gz CGVQEICHDQYJRF-UHFFFAOYSA-N 1 2 293.327 -1.083 20 0 CAADLO Cn1c2[nH]c(C[N@@H+](C)C3(CO)CC3)nc2c(=O)n(C)c1=O ZINC000285372826 373396106 /nfs/dbraw/zinc/39/61/06/373396106.db2.gz CGVQEICHDQYJRF-UHFFFAOYSA-N 1 2 293.327 -1.083 20 0 CAADLO COC(=O)CNC(=O)[C@@H](C)[N@H+](C)[C@@H]1CCNC1=O ZINC000340222502 373397155 /nfs/dbraw/zinc/39/71/55/373397155.db2.gz XYGZTIGVVGCSPV-HTQZYQBOSA-N 1 2 257.290 -1.516 20 0 CAADLO COC(=O)CNC(=O)[C@@H](C)[N@@H+](C)[C@@H]1CCNC1=O ZINC000340222502 373397161 /nfs/dbraw/zinc/39/71/61/373397161.db2.gz XYGZTIGVVGCSPV-HTQZYQBOSA-N 1 2 257.290 -1.516 20 0 CAADLO CN(CC(=O)OC(C)(C)C)[C@H]1C[N@H+](CC(N)=O)C[C@@H]1O ZINC000340213747 373397633 /nfs/dbraw/zinc/39/76/33/373397633.db2.gz FNOWLNSDCDSRTA-UWVGGRQHSA-N 1 2 287.360 -1.210 20 0 CAADLO CN(CC(=O)OC(C)(C)C)[C@H]1C[N@@H+](CC(N)=O)C[C@@H]1O ZINC000340213747 373397643 /nfs/dbraw/zinc/39/76/43/373397643.db2.gz FNOWLNSDCDSRTA-UWVGGRQHSA-N 1 2 287.360 -1.210 20 0 CAADLO CCCNC(=O)CN(C)C(=O)C[N@H+](C)[C@@H]1CCNC1=O ZINC000340217883 373397675 /nfs/dbraw/zinc/39/76/75/373397675.db2.gz DYVBWTCNBIDKMR-SNVBAGLBSA-N 1 2 284.360 -1.209 20 0 CAADLO CCCNC(=O)CN(C)C(=O)C[N@@H+](C)[C@@H]1CCNC1=O ZINC000340217883 373397684 /nfs/dbraw/zinc/39/76/84/373397684.db2.gz DYVBWTCNBIDKMR-SNVBAGLBSA-N 1 2 284.360 -1.209 20 0 CAADLO COC(=O)CNC(=O)[C@@H](C)[N@H+](C)[C@H]1CCNC1=O ZINC000340222505 373397916 /nfs/dbraw/zinc/39/79/16/373397916.db2.gz XYGZTIGVVGCSPV-SFYZADRCSA-N 1 2 257.290 -1.516 20 0 CAADLO COC(=O)CNC(=O)[C@@H](C)[N@@H+](C)[C@H]1CCNC1=O ZINC000340222505 373397921 /nfs/dbraw/zinc/39/79/21/373397921.db2.gz XYGZTIGVVGCSPV-SFYZADRCSA-N 1 2 257.290 -1.516 20 0 CAADLO CN(CC(=O)OC(C)(C)C)[C@@H]1C[N@H+](CC(N)=O)C[C@H]1O ZINC000340213746 373398711 /nfs/dbraw/zinc/39/87/11/373398711.db2.gz FNOWLNSDCDSRTA-NXEZZACHSA-N 1 2 287.360 -1.210 20 0 CAADLO CN(CC(=O)OC(C)(C)C)[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1O ZINC000340213746 373398716 /nfs/dbraw/zinc/39/87/16/373398716.db2.gz FNOWLNSDCDSRTA-NXEZZACHSA-N 1 2 287.360 -1.210 20 0 CAADLO COc1c[nH+]c(NC[C@@H](O)CO)nc1NC[C@@H](O)CO ZINC000286190342 373399103 /nfs/dbraw/zinc/39/91/03/373399103.db2.gz LPJGRTYFVSGGQA-HTQZYQBOSA-N 1 2 288.304 -1.985 20 0 CAADLO CC(=O)N[C@@H]1CCCN(C(=O)C[N@@H+](C)[C@@H]2CCNC2=O)C1 ZINC000340223070 373399788 /nfs/dbraw/zinc/39/97/88/373399788.db2.gz SHNZBXMRLLGBIE-VXGBXAGGSA-N 1 2 296.371 -1.066 20 0 CAADLO CC(=O)N[C@@H]1CCCN(C(=O)C[N@H+](C)[C@@H]2CCNC2=O)C1 ZINC000340223070 373399796 /nfs/dbraw/zinc/39/97/96/373399796.db2.gz SHNZBXMRLLGBIE-VXGBXAGGSA-N 1 2 296.371 -1.066 20 0 CAADLO C[C@H](C(=O)N1CCN(CCO)CC1)N1CC[NH2+]CC1=O ZINC000638226438 373399897 /nfs/dbraw/zinc/39/98/97/373399897.db2.gz GIQVVLCAZVOUQF-LLVKDONJSA-N 1 2 284.360 -2.057 20 0 CAADLO CC[NH+]1CCN(C(=O)C(=O)N[C@@H](C)Cn2cncn2)CC1 ZINC000286327950 373400063 /nfs/dbraw/zinc/40/00/63/373400063.db2.gz YSTSJBSKEAUSFD-NSHDSACASA-N 1 2 294.359 -1.053 20 0 CAADLO CC[NH+]1CCN(C(=O)C(=O)N[C@H](C)Cn2cncn2)CC1 ZINC000286327949 373400219 /nfs/dbraw/zinc/40/02/19/373400219.db2.gz YSTSJBSKEAUSFD-LLVKDONJSA-N 1 2 294.359 -1.053 20 0 CAADLO COC[C@@H](C)NC(=O)NC(=O)C[N@H+](C)[C@@H]1CCNC1=O ZINC000340225409 373401267 /nfs/dbraw/zinc/40/12/67/373401267.db2.gz ILZSUWCWLUVLRN-RKDXNWHRSA-N 1 2 286.332 -1.333 20 0 CAADLO COC[C@@H](C)NC(=O)NC(=O)C[N@@H+](C)[C@@H]1CCNC1=O ZINC000340225409 373401276 /nfs/dbraw/zinc/40/12/76/373401276.db2.gz ILZSUWCWLUVLRN-RKDXNWHRSA-N 1 2 286.332 -1.333 20 0 CAADLO C[C@@H](C(=O)N1CCN(CCO)CC1)N1CC[NH2+]CC1=O ZINC000638226439 373401725 /nfs/dbraw/zinc/40/17/25/373401725.db2.gz GIQVVLCAZVOUQF-NSHDSACASA-N 1 2 284.360 -2.057 20 0 CAADLO C[C@H](C(=O)N1CCC[C@H]1C(=O)N(C)C)N1CC[NH2+]CC1=O ZINC000638586237 373439370 /nfs/dbraw/zinc/43/93/70/373439370.db2.gz LVUAOZROFJNCTD-MNOVXSKESA-N 1 2 296.371 -1.114 20 0 CAADLO Nc1nc(N)[nH+]c(NCCC[NH+]2CCC(O)CC2)n1 ZINC000623876047 373439597 /nfs/dbraw/zinc/43/95/97/373439597.db2.gz GEOXUPXRIIHUMM-UHFFFAOYSA-N 1 2 267.337 -1.623 20 0 CAADLO CCOC[C@H]1CN(C(=O)CN2CC[NH2+]CC2=O)CCO1 ZINC000638604090 373441158 /nfs/dbraw/zinc/44/11/58/373441158.db2.gz YEXYZQRTHIOXOL-LLVKDONJSA-N 1 2 285.344 -1.318 20 0 CAADLO CCOC[C@@H]1CN(C(=O)CN2CC[NH2+]CC2=O)CCO1 ZINC000638604091 373442219 /nfs/dbraw/zinc/44/22/19/373442219.db2.gz YEXYZQRTHIOXOL-NSHDSACASA-N 1 2 285.344 -1.318 20 0 CAADLO CN1CCOC[C@H]1CNC(=O)CN1CC[NH2+]CC1=O ZINC000638611666 373445749 /nfs/dbraw/zinc/44/57/49/373445749.db2.gz PFUNRIMIRNUKSC-SNVBAGLBSA-N 1 2 270.333 -2.135 20 0 CAADLO CCC[N@H+](CC(=O)NC)CC(=O)NCC(=O)OC ZINC000298840591 373456455 /nfs/dbraw/zinc/45/64/55/373456455.db2.gz GHXNTIVXUFVJJB-UHFFFAOYSA-N 1 2 259.306 -1.266 20 0 CAADLO CCC[N@@H+](CC(=O)NC)CC(=O)NCC(=O)OC ZINC000298840591 373456463 /nfs/dbraw/zinc/45/64/63/373456463.db2.gz GHXNTIVXUFVJJB-UHFFFAOYSA-N 1 2 259.306 -1.266 20 0 CAADLO COC(=O)C[C@@H]1C(=O)NCC[N@H+]1C[C@@H](O)Cn1cccn1 ZINC000298725440 373457034 /nfs/dbraw/zinc/45/70/34/373457034.db2.gz MKJVTQOYZBYFFV-GHMZBOCLSA-N 1 2 296.327 -1.393 20 0 CAADLO COC(=O)C[C@@H]1C(=O)NCC[N@@H+]1C[C@@H](O)Cn1cccn1 ZINC000298725440 373457039 /nfs/dbraw/zinc/45/70/39/373457039.db2.gz MKJVTQOYZBYFFV-GHMZBOCLSA-N 1 2 296.327 -1.393 20 0 CAADLO C[C@@H](C(=O)N(C)[C@H]1C[C@@H](C(N)=O)C1)N1CC[NH2+]CC1=O ZINC000638698027 373458392 /nfs/dbraw/zinc/45/83/92/373458392.db2.gz KZLLUHZHRWKJPM-LPEHRKFASA-N 1 2 282.344 -1.471 20 0 CAADLO CC(C)Nc1nc(N[C@H]2CCCOC2)nc(NCCO)[nH+]1 ZINC000340985379 373462005 /nfs/dbraw/zinc/46/20/05/373462005.db2.gz STNPVOYHFRSEFX-JTQLQIEISA-N 1 2 296.375 -1.047 20 0 CAADLO CC(C)Nc1nc(NCCO)[nH+]c(N[C@H]2CCCOC2)n1 ZINC000340985379 373462025 /nfs/dbraw/zinc/46/20/25/373462025.db2.gz STNPVOYHFRSEFX-JTQLQIEISA-N 1 2 296.375 -1.047 20 0 CAADLO CC(C)Nc1nc(NCCO)nc(N[C@H]2CCCOC2)[nH+]1 ZINC000340985379 373462034 /nfs/dbraw/zinc/46/20/34/373462034.db2.gz STNPVOYHFRSEFX-JTQLQIEISA-N 1 2 296.375 -1.047 20 0 CAADLO CC1(C)C[N@H+](CCNC(=O)NC(CO)CO)CCO1 ZINC000341060058 373464095 /nfs/dbraw/zinc/46/40/95/373464095.db2.gz XPHNLOFSTWETQZ-UHFFFAOYSA-N 1 2 275.349 -1.250 20 0 CAADLO CC1(C)C[N@@H+](CCNC(=O)NC(CO)CO)CCO1 ZINC000341060058 373464109 /nfs/dbraw/zinc/46/41/09/373464109.db2.gz XPHNLOFSTWETQZ-UHFFFAOYSA-N 1 2 275.349 -1.250 20 0 CAADLO C[C@H]([C@H](C)NC(=O)NC(CO)CO)[NH+]1CCOCC1 ZINC000341100779 373464425 /nfs/dbraw/zinc/46/44/25/373464425.db2.gz HBEUNJLYFOLKOO-VHSXEESVSA-N 1 2 275.349 -1.252 20 0 CAADLO CNC(=O)NCCC(=O)NCC[NH+]1CCOCC1 ZINC000341069043 373464769 /nfs/dbraw/zinc/46/47/69/373464769.db2.gz WABIAWSDPDDBHO-UHFFFAOYSA-N 1 2 258.322 -1.246 20 0 CAADLO CNS(=O)(=O)CCC[N@H+](CCOC)CC(=O)N(C)C ZINC000341156421 373464848 /nfs/dbraw/zinc/46/48/48/373464848.db2.gz AUWYYXOGFLYDTJ-UHFFFAOYSA-N 1 2 295.405 -1.038 20 0 CAADLO CNS(=O)(=O)CCC[N@@H+](CCOC)CC(=O)N(C)C ZINC000341156421 373464855 /nfs/dbraw/zinc/46/48/55/373464855.db2.gz AUWYYXOGFLYDTJ-UHFFFAOYSA-N 1 2 295.405 -1.038 20 0 CAADLO C[C@@H](NC(=O)NC(CO)CO)[C@@H](C)[NH+]1CCOCC1 ZINC000341100776 373465265 /nfs/dbraw/zinc/46/52/65/373465265.db2.gz HBEUNJLYFOLKOO-NXEZZACHSA-N 1 2 275.349 -1.252 20 0 CAADLO COCCNc1nc(NC(C)C)nc(NCCO)[nH+]1 ZINC000341260782 373466632 /nfs/dbraw/zinc/46/66/32/373466632.db2.gz CGOIIXZERPJGEQ-UHFFFAOYSA-N 1 2 270.337 -1.580 20 0 CAADLO COCCNc1nc(NCCO)[nH+]c(NC(C)C)n1 ZINC000341260782 373466646 /nfs/dbraw/zinc/46/66/46/373466646.db2.gz CGOIIXZERPJGEQ-UHFFFAOYSA-N 1 2 270.337 -1.580 20 0 CAADLO COCCNc1nc(NCCO)nc(NC(C)C)[nH+]1 ZINC000341260782 373466651 /nfs/dbraw/zinc/46/66/51/373466651.db2.gz CGOIIXZERPJGEQ-UHFFFAOYSA-N 1 2 270.337 -1.580 20 0 CAADLO COc1c[nH+]c(N(C)CC(N)=O)nc1N(C)CC(N)=O ZINC000341542763 373472830 /nfs/dbraw/zinc/47/28/30/373472830.db2.gz DZGKZWGIYAOYBD-UHFFFAOYSA-N 1 2 282.304 -1.672 20 0 CAADLO CC(C)NC(=O)C[N@H+](C)CC(=O)N(C)[C@H]1COC[C@H]1O ZINC000342349731 373473595 /nfs/dbraw/zinc/47/35/95/373473595.db2.gz VKEGXHZMAWASJJ-WDEREUQCSA-N 1 2 287.360 -1.339 20 0 CAADLO CC(C)NC(=O)C[N@@H+](C)CC(=O)N(C)[C@H]1COC[C@H]1O ZINC000342349731 373473608 /nfs/dbraw/zinc/47/36/08/373473608.db2.gz VKEGXHZMAWASJJ-WDEREUQCSA-N 1 2 287.360 -1.339 20 0 CAADLO CC(C)Nc1nc(N[C@H](C)[C@@H](C)CO)nc(NCCO)[nH+]1 ZINC000342350492 373474816 /nfs/dbraw/zinc/47/48/16/373474816.db2.gz OPDOUFSYGVHBDP-VHSXEESVSA-N 1 2 298.391 -1.209 20 0 CAADLO CC(C)Nc1nc(NCCO)[nH+]c(N[C@H](C)[C@@H](C)CO)n1 ZINC000342350492 373474819 /nfs/dbraw/zinc/47/48/19/373474819.db2.gz OPDOUFSYGVHBDP-VHSXEESVSA-N 1 2 298.391 -1.209 20 0 CAADLO CC(C)Nc1nc(NCCO)nc(N[C@H](C)[C@@H](C)CO)[nH+]1 ZINC000342350492 373474823 /nfs/dbraw/zinc/47/48/23/373474823.db2.gz OPDOUFSYGVHBDP-VHSXEESVSA-N 1 2 298.391 -1.209 20 0 CAADLO CC(C)Nc1nc(N[C@@H](C)[C@H](C)CO)nc(NCCO)[nH+]1 ZINC000342350493 373474924 /nfs/dbraw/zinc/47/49/24/373474924.db2.gz OPDOUFSYGVHBDP-ZJUUUORDSA-N 1 2 298.391 -1.209 20 0 CAADLO CC(C)Nc1nc(NCCO)[nH+]c(N[C@@H](C)[C@H](C)CO)n1 ZINC000342350493 373474928 /nfs/dbraw/zinc/47/49/28/373474928.db2.gz OPDOUFSYGVHBDP-ZJUUUORDSA-N 1 2 298.391 -1.209 20 0 CAADLO CC(C)Nc1nc(NCCO)nc(N[C@@H](C)[C@H](C)CO)[nH+]1 ZINC000342350493 373474929 /nfs/dbraw/zinc/47/49/29/373474929.db2.gz OPDOUFSYGVHBDP-ZJUUUORDSA-N 1 2 298.391 -1.209 20 0 CAADLO CNC(=O)N[C@H]1CC[N@H+](CC(=O)NCCC(=O)OC)C1 ZINC000342356143 373475669 /nfs/dbraw/zinc/47/56/69/373475669.db2.gz KSESEXCYWBBLTC-VIFPVBQESA-N 1 2 286.332 -1.331 20 0 CAADLO CNC(=O)N[C@H]1CC[N@@H+](CC(=O)NCCC(=O)OC)C1 ZINC000342356143 373475679 /nfs/dbraw/zinc/47/56/79/373475679.db2.gz KSESEXCYWBBLTC-VIFPVBQESA-N 1 2 286.332 -1.331 20 0 CAADLO COC[C@]1(C)CN(C(=O)CN2CC[NH2+]CC2=O)CCO1 ZINC000638797081 373476518 /nfs/dbraw/zinc/47/65/18/373476518.db2.gz OOGXDSSORGCOJP-ZDUSSCGKSA-N 1 2 285.344 -1.318 20 0 CAADLO CNC(=O)N[C@@H]1CC[N@H+](CC(=O)NCCC(=O)OC)C1 ZINC000342356142 373476654 /nfs/dbraw/zinc/47/66/54/373476654.db2.gz KSESEXCYWBBLTC-SECBINFHSA-N 1 2 286.332 -1.331 20 0 CAADLO CNC(=O)N[C@@H]1CC[N@@H+](CC(=O)NCCC(=O)OC)C1 ZINC000342356142 373476665 /nfs/dbraw/zinc/47/66/65/373476665.db2.gz KSESEXCYWBBLTC-SECBINFHSA-N 1 2 286.332 -1.331 20 0 CAADLO CC(=O)NC[C@@H]1CCCCN1C(=O)CN1CC[NH2+]CC1=O ZINC000638794563 373476689 /nfs/dbraw/zinc/47/66/89/373476689.db2.gz UJIDHGTVDTXPRH-LBPRGKRZSA-N 1 2 296.371 -1.065 20 0 CAADLO CC(C)Nc1nc(N[C@H](C)CC(N)=O)nc(NCCO)[nH+]1 ZINC000342367321 373477340 /nfs/dbraw/zinc/47/73/40/373477340.db2.gz YQAZLZACKFOLBE-MRVPVSSYSA-N 1 2 297.363 -1.962 20 0 CAADLO CC(C)Nc1nc(NCCO)[nH+]c(N[C@H](C)CC(N)=O)n1 ZINC000342367321 373477354 /nfs/dbraw/zinc/47/73/54/373477354.db2.gz YQAZLZACKFOLBE-MRVPVSSYSA-N 1 2 297.363 -1.962 20 0 CAADLO CC(C)Nc1nc(NCCO)nc(N[C@H](C)CC(N)=O)[nH+]1 ZINC000342367321 373477361 /nfs/dbraw/zinc/47/73/61/373477361.db2.gz YQAZLZACKFOLBE-MRVPVSSYSA-N 1 2 297.363 -1.962 20 0 CAADLO O=C(CN1CC[NH2+]CC1=O)N[C@H]1CCN(C2CCC2)C1=O ZINC000638797984 373477435 /nfs/dbraw/zinc/47/74/35/373477435.db2.gz YEMLMLQPXNJZST-NSHDSACASA-N 1 2 294.355 -1.312 20 0 CAADLO CNC(=O)NC(=O)C[N@H+]1CC[C@@H](NC(=O)NC)C1 ZINC000342363432 373477772 /nfs/dbraw/zinc/47/77/72/373477772.db2.gz QYCXONOUWLKHBY-SSDOTTSWSA-N 1 2 257.294 -1.555 20 0 CAADLO CNC(=O)NC(=O)C[N@@H+]1CC[C@@H](NC(=O)NC)C1 ZINC000342363432 373477775 /nfs/dbraw/zinc/47/77/75/373477775.db2.gz QYCXONOUWLKHBY-SSDOTTSWSA-N 1 2 257.294 -1.555 20 0 CAADLO CCN1CC[C@H](NC(=O)[C@H](C)N2CC[NH2+]CC2=O)C1=O ZINC000638826757 373479353 /nfs/dbraw/zinc/47/93/53/373479353.db2.gz SQUZSGKKIVBWKB-UWVGGRQHSA-N 1 2 282.344 -1.456 20 0 CAADLO CCN1CC[C@@H](NC(=O)CN2CC[NH2+]CC2=O)C1=O ZINC000638824532 373480045 /nfs/dbraw/zinc/48/00/45/373480045.db2.gz GTDZGUPCTUZVSK-SECBINFHSA-N 1 2 268.317 -1.845 20 0 CAADLO CCN1CC[C@@H](NC(=O)[C@@H](C)N2CC[NH2+]CC2=O)C1=O ZINC000638826756 373480202 /nfs/dbraw/zinc/48/02/02/373480202.db2.gz SQUZSGKKIVBWKB-NXEZZACHSA-N 1 2 282.344 -1.456 20 0 CAADLO CCn1ncc(C(=O)NCCC[N@@H+]2CCNC(=O)C2)n1 ZINC000293583988 373432438 /nfs/dbraw/zinc/43/24/38/373432438.db2.gz QWJQDBKJBQGDCY-UHFFFAOYSA-N 1 2 280.332 -1.150 20 0 CAADLO CCn1ncc(C(=O)NCCC[N@H+]2CCNC(=O)C2)n1 ZINC000293583988 373432446 /nfs/dbraw/zinc/43/24/46/373432446.db2.gz QWJQDBKJBQGDCY-UHFFFAOYSA-N 1 2 280.332 -1.150 20 0 CAADLO C[C@@H](O)CNc1cc(N2CCN(CC(N)=O)CC2)nc[nH+]1 ZINC000294404326 373435666 /nfs/dbraw/zinc/43/56/66/373435666.db2.gz NMDRUIMCYSOBIO-SNVBAGLBSA-N 1 2 294.359 -1.123 20 0 CAADLO CC[N@H+](CC(=O)N[C@@H](C)C(=O)N(C)C)[C@@H]1CCNC1=O ZINC000331313112 284399559 /nfs/dbraw/zinc/39/95/59/284399559.db2.gz WDJPKUKBOLRQEG-VHSXEESVSA-N 1 2 284.360 -1.210 20 0 CAADLO CC[N@@H+](CC(=O)N[C@@H](C)C(=O)N(C)C)[C@@H]1CCNC1=O ZINC000331313112 284399562 /nfs/dbraw/zinc/39/95/62/284399562.db2.gz WDJPKUKBOLRQEG-VHSXEESVSA-N 1 2 284.360 -1.210 20 0 CAADLO O=C(NC[C@@H](O)C[NH+]1CCOCC1)c1ccn[nH]1 ZINC000330455489 373490498 /nfs/dbraw/zinc/49/04/98/373490498.db2.gz OASYMHBWTNKSDY-SECBINFHSA-N 1 2 254.290 -1.167 20 0 CAADLO COC(=O)[C@@H]1[C@H](O)CCC[N@@H+]1C[C@@](C)(O)C(=O)OC ZINC000330854069 373491420 /nfs/dbraw/zinc/49/14/20/373491420.db2.gz RVXXFQRUYKKUFY-VDDIYKPWSA-N 1 2 275.301 -1.091 20 0 CAADLO COC(=O)[C@@H]1[C@H](O)CCC[N@H+]1C[C@@](C)(O)C(=O)OC ZINC000330854069 373491425 /nfs/dbraw/zinc/49/14/25/373491425.db2.gz RVXXFQRUYKKUFY-VDDIYKPWSA-N 1 2 275.301 -1.091 20 0 CAADLO COC(=O)CNC(=O)[C@H](C)[N@H+]1C[C@@H]2[C@H](C1)OCCN2C ZINC000331203525 373491646 /nfs/dbraw/zinc/49/16/46/373491646.db2.gz RKUTYGQPCOAEDM-AXFHLTTASA-N 1 2 285.344 -1.321 20 0 CAADLO COC(=O)CNC(=O)[C@H](C)[N@@H+]1C[C@@H]2[C@H](C1)OCCN2C ZINC000331203525 373491651 /nfs/dbraw/zinc/49/16/51/373491651.db2.gz RKUTYGQPCOAEDM-AXFHLTTASA-N 1 2 285.344 -1.321 20 0 CAADLO COC(=O)CNC(=O)[C@H](C)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C ZINC000331203525 373491656 /nfs/dbraw/zinc/49/16/56/373491656.db2.gz RKUTYGQPCOAEDM-AXFHLTTASA-N 1 2 285.344 -1.321 20 0 CAADLO COC(=O)CNC(=O)[C@H](C)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C ZINC000331203525 373491659 /nfs/dbraw/zinc/49/16/59/373491659.db2.gz RKUTYGQPCOAEDM-AXFHLTTASA-N 1 2 285.344 -1.321 20 0 CAADLO CC[N@H+](CC(=O)N[C@@H](C)C(=O)N(C)C)[C@H]1CCNC1=O ZINC000331313111 373492695 /nfs/dbraw/zinc/49/26/95/373492695.db2.gz WDJPKUKBOLRQEG-UWVGGRQHSA-N 1 2 284.360 -1.210 20 0 CAADLO CC[N@@H+](CC(=O)N[C@@H](C)C(=O)N(C)C)[C@H]1CCNC1=O ZINC000331313111 373492700 /nfs/dbraw/zinc/49/27/00/373492700.db2.gz WDJPKUKBOLRQEG-UWVGGRQHSA-N 1 2 284.360 -1.210 20 0 CAADLO COC(=O)CNC(=O)[C@@H](C)[N@@H+]1CCN2C(=O)CC[C@@H]2C1 ZINC000346444038 373534583 /nfs/dbraw/zinc/53/45/83/373534583.db2.gz BBVPZZHTWWFCMY-NXEZZACHSA-N 1 2 283.328 -1.029 20 0 CAADLO COC(=O)CNC(=O)[C@@H](C)[N@H+]1CCN2C(=O)CC[C@@H]2C1 ZINC000346444038 373534588 /nfs/dbraw/zinc/53/45/88/373534588.db2.gz BBVPZZHTWWFCMY-NXEZZACHSA-N 1 2 283.328 -1.029 20 0 CAADLO COC(=O)[C@@H]1[C@@H](O)CCC[N@@H+]1C[C@](C)(O)C(=O)OC ZINC000330854066 373493351 /nfs/dbraw/zinc/49/33/51/373493351.db2.gz RVXXFQRUYKKUFY-AUTRQRHGSA-N 1 2 275.301 -1.091 20 0 CAADLO COC(=O)[C@@H]1[C@@H](O)CCC[N@H+]1C[C@](C)(O)C(=O)OC ZINC000330854066 373493358 /nfs/dbraw/zinc/49/33/58/373493358.db2.gz RVXXFQRUYKKUFY-AUTRQRHGSA-N 1 2 275.301 -1.091 20 0 CAADLO CN(Cc1ncc[nH]1)C(=O)CN1CC[NH2+]CC1=O ZINC000639013970 373494325 /nfs/dbraw/zinc/49/43/25/373494325.db2.gz UIPNMGNQJHYOAO-UHFFFAOYSA-N 1 2 251.290 -1.200 20 0 CAADLO CNS(=O)(=O)CCC[N@@H+]1CCC[C@@H](O)[C@H]1C(=O)OC ZINC000331305418 373494796 /nfs/dbraw/zinc/49/47/96/373494796.db2.gz USKGTQOQCLZRHR-ZJUUUORDSA-N 1 2 294.373 -1.076 20 0 CAADLO CNS(=O)(=O)CCC[N@H+]1CCC[C@@H](O)[C@H]1C(=O)OC ZINC000331305418 373494798 /nfs/dbraw/zinc/49/47/98/373494798.db2.gz USKGTQOQCLZRHR-ZJUUUORDSA-N 1 2 294.373 -1.076 20 0 CAADLO CCC[C@]1(C)C(=O)NCCN1C(=O)CN1CC[NH2+]CC1=O ZINC000639016480 373495295 /nfs/dbraw/zinc/49/52/95/373495295.db2.gz JIBVMSHXWFOUNC-CQSZACIVSA-N 1 2 296.371 -1.065 20 0 CAADLO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(Cc2n[nH]c(=O)[nH]2)CC1 ZINC000091593915 373496730 /nfs/dbraw/zinc/49/67/30/373496730.db2.gz OVFCBZGKIBSTKE-SNVBAGLBSA-N 1 2 294.359 -1.164 20 0 CAADLO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(Cc2n[nH]c(=O)[nH]2)CC1 ZINC000091593915 373496739 /nfs/dbraw/zinc/49/67/39/373496739.db2.gz OVFCBZGKIBSTKE-SNVBAGLBSA-N 1 2 294.359 -1.164 20 0 CAADLO C[C@H](C[NH+]1CCOCC1)NC(=O)[C@H](C)NC(N)=O ZINC000185598798 373502993 /nfs/dbraw/zinc/50/29/93/373502993.db2.gz WVXGKXFJPQJSJW-BDAKNGLRSA-N 1 2 258.322 -1.120 20 0 CAADLO NC(=O)[C@@H]1CC[C@@H](C(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)O1 ZINC000343358449 373507693 /nfs/dbraw/zinc/50/76/93/373507693.db2.gz GOYUTWKNWHZLAQ-WOPDTQHZSA-N 1 2 297.355 -1.001 20 0 CAADLO NC(=O)[C@@H]1CC[C@@H](C(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)O1 ZINC000343358449 373507698 /nfs/dbraw/zinc/50/76/98/373507698.db2.gz GOYUTWKNWHZLAQ-WOPDTQHZSA-N 1 2 297.355 -1.001 20 0 CAADLO NC(=O)[C@@H]1CC[C@@H](C(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)O1 ZINC000343358447 373507711 /nfs/dbraw/zinc/50/77/11/373507711.db2.gz GOYUTWKNWHZLAQ-SRVKXCTJSA-N 1 2 297.355 -1.001 20 0 CAADLO NC(=O)[C@@H]1CC[C@@H](C(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)O1 ZINC000343358447 373507718 /nfs/dbraw/zinc/50/77/18/373507718.db2.gz GOYUTWKNWHZLAQ-SRVKXCTJSA-N 1 2 297.355 -1.001 20 0 CAADLO C[C@H](CS(C)(=O)=O)NC(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000343400777 373507983 /nfs/dbraw/zinc/50/79/83/373507983.db2.gz VXOYCDIDCKZNHO-MNOVXSKESA-N 1 2 289.401 -1.074 20 0 CAADLO C[C@H](CS(C)(=O)=O)NC(=O)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000343400777 373507991 /nfs/dbraw/zinc/50/79/91/373507991.db2.gz VXOYCDIDCKZNHO-MNOVXSKESA-N 1 2 289.401 -1.074 20 0 CAADLO C[C@](O)(CNC(=O)c1nccnc1N)C[NH+]1CCOCC1 ZINC000343558992 373510119 /nfs/dbraw/zinc/51/01/19/373510119.db2.gz NMFVHHPUKONCMP-ZDUSSCGKSA-N 1 2 295.343 -1.128 20 0 CAADLO O=C(C[C@@H]1NC(=O)NC1=O)Nc1cc[nH+]cc1O ZINC000343590127 373510367 /nfs/dbraw/zinc/51/03/67/373510367.db2.gz SUUMHRKSFUTOCJ-LURJTMIESA-N 1 2 250.214 -1.254 20 0 CAADLO O=C(C[C@H]1NC(=O)NC1=O)Nc1cc[nH+]cc1O ZINC000343590129 373511011 /nfs/dbraw/zinc/51/10/11/373511011.db2.gz SUUMHRKSFUTOCJ-ZCFIWIBFSA-N 1 2 250.214 -1.254 20 0 CAADLO C[C@@H](O)C(=O)N1CC[NH+](CCN2CCNC2=O)CC1 ZINC000343701493 373513941 /nfs/dbraw/zinc/51/39/41/373513941.db2.gz ZUIHKXRWFAFWLN-SNVBAGLBSA-N 1 2 270.333 -1.463 20 0 CAADLO CNc1nc(N[C@H](C)CCO)nc(N[C@@H](C)CCO)[nH+]1 ZINC000343791412 373515488 /nfs/dbraw/zinc/51/54/88/373515488.db2.gz OQJBVMKZXGMCAB-DTORHVGOSA-N 1 2 284.364 -1.455 20 0 CAADLO CNc1nc(N[C@@H](C)CCO)nc(N[C@H](C)CCO)[nH+]1 ZINC000343791412 373515501 /nfs/dbraw/zinc/51/55/01/373515501.db2.gz OQJBVMKZXGMCAB-DTORHVGOSA-N 1 2 284.364 -1.455 20 0 CAADLO CNc1nc(N[C@H](C)CCO)[nH+]c(N[C@@H](C)CCO)n1 ZINC000343791412 373515508 /nfs/dbraw/zinc/51/55/08/373515508.db2.gz OQJBVMKZXGMCAB-DTORHVGOSA-N 1 2 284.364 -1.455 20 0 CAADLO CCN(CCO)c1nc(NC)nc(N(CC)CCO)[nH+]1 ZINC000343788746 373517002 /nfs/dbraw/zinc/51/70/02/373517002.db2.gz LAMRAOYEEPJPID-UHFFFAOYSA-N 1 2 284.364 -1.028 20 0 CAADLO NS(=O)(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000343794066 373517698 /nfs/dbraw/zinc/51/76/98/373517698.db2.gz WWOMSDKPZQKSGF-UHFFFAOYSA-N 1 2 275.334 -1.169 20 0 CAADLO CNC(=O)CN(CC[NH+]1CCOCC1)CC(=O)OC ZINC000344768593 373522353 /nfs/dbraw/zinc/52/23/53/373522353.db2.gz LSRTXYHHLPGNCX-UHFFFAOYSA-N 1 2 273.333 -1.460 20 0 CAADLO Cn1cc(C[NH+]2CCN(C(=O)CC(N)=O)CC2)cn1 ZINC000345270392 373527442 /nfs/dbraw/zinc/52/74/42/373527442.db2.gz IKIFXSZGBVYPEW-UHFFFAOYSA-N 1 2 265.317 -1.060 20 0 CAADLO COC(=O)[C@H](O)CNC(=O)C[N@H+](C)CC(=O)NC(C)C ZINC000345280685 373528358 /nfs/dbraw/zinc/52/83/58/373528358.db2.gz DCRJMYAAMJHRRO-SECBINFHSA-N 1 2 289.332 -1.907 20 0 CAADLO COC(=O)[C@H](O)CNC(=O)C[N@@H+](C)CC(=O)NC(C)C ZINC000345280685 373528371 /nfs/dbraw/zinc/52/83/71/373528371.db2.gz DCRJMYAAMJHRRO-SECBINFHSA-N 1 2 289.332 -1.907 20 0 CAADLO CO[C@H]1C[C@H](C(=O)N2CC[NH+](CCO)CC2)N(C(C)=O)C1 ZINC000346511644 373532598 /nfs/dbraw/zinc/53/25/98/373532598.db2.gz UNOKEMFIYCYICX-QWHCGFSZSA-N 1 2 299.371 -1.241 20 0 CAADLO CNC(=O)NC(=O)C[N@@H+]1CCN2C(=O)CC[C@H]2C1 ZINC000346469468 373532959 /nfs/dbraw/zinc/53/29/59/373532959.db2.gz YOUDMCCXJPXBJQ-QMMMGPOBSA-N 1 2 254.290 -1.251 20 0 CAADLO CNC(=O)NC(=O)C[N@H+]1CCN2C(=O)CC[C@H]2C1 ZINC000346469468 373532965 /nfs/dbraw/zinc/53/29/65/373532965.db2.gz YOUDMCCXJPXBJQ-QMMMGPOBSA-N 1 2 254.290 -1.251 20 0 CAADLO C[C@H](C(=O)NC(N)=O)[N@@H+]1CCN2C(=O)CC[C@H]2C1 ZINC000346492653 373533071 /nfs/dbraw/zinc/53/30/71/373533071.db2.gz QRDKMDIZJBOWIZ-SFYZADRCSA-N 1 2 254.290 -1.124 20 0 CAADLO C[C@H](C(=O)NC(N)=O)[N@H+]1CCN2C(=O)CC[C@H]2C1 ZINC000346492653 373533077 /nfs/dbraw/zinc/53/30/77/373533077.db2.gz QRDKMDIZJBOWIZ-SFYZADRCSA-N 1 2 254.290 -1.124 20 0 CAADLO COC(=O)CNC(=O)[C@H](C)[N@@H+]1CCN2C(=O)CC[C@@H]2C1 ZINC000346444044 373533197 /nfs/dbraw/zinc/53/31/97/373533197.db2.gz BBVPZZHTWWFCMY-VHSXEESVSA-N 1 2 283.328 -1.029 20 0 CAADLO COC(=O)CNC(=O)[C@H](C)[N@H+]1CCN2C(=O)CC[C@@H]2C1 ZINC000346444044 373533204 /nfs/dbraw/zinc/53/32/04/373533204.db2.gz BBVPZZHTWWFCMY-VHSXEESVSA-N 1 2 283.328 -1.029 20 0 CAADLO CCS(=O)(=O)NCC(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000535411038 373485352 /nfs/dbraw/zinc/48/53/52/373485352.db2.gz HSPWFHCXRTYEDD-SNVBAGLBSA-N 1 2 293.389 -1.237 20 0 CAADLO CCS(=O)(=O)NCC(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000535411038 373485361 /nfs/dbraw/zinc/48/53/61/373485361.db2.gz HSPWFHCXRTYEDD-SNVBAGLBSA-N 1 2 293.389 -1.237 20 0 CAADLO C[C@H](C(=O)N(C)CC(=O)NC1CC1)[N@H+](C)[C@@H]1CCNC1=O ZINC000535382033 373485386 /nfs/dbraw/zinc/48/53/86/373485386.db2.gz KWNRQFGHYZGBCQ-MWLCHTKSSA-N 1 2 296.371 -1.068 20 0 CAADLO C[C@H](C(=O)N(C)CC(=O)NC1CC1)[N@@H+](C)[C@@H]1CCNC1=O ZINC000535382033 373485396 /nfs/dbraw/zinc/48/53/96/373485396.db2.gz KWNRQFGHYZGBCQ-MWLCHTKSSA-N 1 2 296.371 -1.068 20 0 CAADLO C[C@@H](C(=O)N(C)CC(=O)NC1CC1)[N@H+](C)[C@H]1CCNC1=O ZINC000535382034 373486569 /nfs/dbraw/zinc/48/65/69/373486569.db2.gz KWNRQFGHYZGBCQ-ONGXEEELSA-N 1 2 296.371 -1.068 20 0 CAADLO C[C@@H](C(=O)N(C)CC(=O)NC1CC1)[N@@H+](C)[C@H]1CCNC1=O ZINC000535382034 373486575 /nfs/dbraw/zinc/48/65/75/373486575.db2.gz KWNRQFGHYZGBCQ-ONGXEEELSA-N 1 2 296.371 -1.068 20 0 CAADLO CNC(=O)N1CC[NH+](C[C@@H](O)CN2CCOCC2)CC1 ZINC000346501091 373534199 /nfs/dbraw/zinc/53/41/99/373534199.db2.gz ZHKNYXQJMDSBHZ-GFCCVEGCSA-N 1 2 286.376 -1.364 20 0 CAADLO CNC(=O)N1CCN(C[C@@H](O)C[NH+]2CCOCC2)CC1 ZINC000346501091 373534207 /nfs/dbraw/zinc/53/42/07/373534207.db2.gz ZHKNYXQJMDSBHZ-GFCCVEGCSA-N 1 2 286.376 -1.364 20 0 CAADLO COC(=O)[C@H](NC(=O)C[NH+]1C[C@H](O)[C@@H](O)C1)C(C)C ZINC000351635881 373579971 /nfs/dbraw/zinc/57/99/71/373579971.db2.gz QVAGURAWQHOMBH-ATZCPNFKSA-N 1 2 274.317 -1.662 20 0 CAADLO O=C(N[C@@H]1Cc2c[nH+]cn2C1)c1nc2n(n1)CCCN2 ZINC000623257965 373580445 /nfs/dbraw/zinc/58/04/45/373580445.db2.gz AHXOMLYBWFQPAV-MRVPVSSYSA-N 1 2 273.300 -1.098 20 0 CAADLO C[C@H]1CN(CC[N@@H+]2CCN3C(=O)C(=O)NC[C@H]3C2)CCO1 ZINC000329967054 373583268 /nfs/dbraw/zinc/58/32/68/373583268.db2.gz VYRVVIXECWWYON-RYUDHWBXSA-N 1 2 296.371 -1.650 20 0 CAADLO C[C@H]1CN(CC[N@H+]2CCN3C(=O)C(=O)NC[C@H]3C2)CCO1 ZINC000329967054 373583275 /nfs/dbraw/zinc/58/32/75/373583275.db2.gz VYRVVIXECWWYON-RYUDHWBXSA-N 1 2 296.371 -1.650 20 0 CAADLO CN1CCN(CC(=O)N[C@H]2Cc3c[nH+]cn3C2)CC1=O ZINC000623261947 373583511 /nfs/dbraw/zinc/58/35/11/373583511.db2.gz IPLWWNUUGZSXPW-JTQLQIEISA-N 1 2 277.328 -1.302 20 0 CAADLO C[C@@H]1C[N@H+](CCNC(=O)[C@@H]2CC(=O)NC(=O)N2)[C@@H](C)CO1 ZINC000617723137 373585885 /nfs/dbraw/zinc/58/58/85/373585885.db2.gz JLBWYHGOLHGTTB-AEJSXWLSSA-N 1 2 298.343 -1.190 20 0 CAADLO C[C@@H]1C[N@@H+](CCNC(=O)[C@@H]2CC(=O)NC(=O)N2)[C@@H](C)CO1 ZINC000617723137 373585887 /nfs/dbraw/zinc/58/58/87/373585887.db2.gz JLBWYHGOLHGTTB-AEJSXWLSSA-N 1 2 298.343 -1.190 20 0 CAADLO C[C@@H]1C[N@H+](CCNC(=O)CNC(N)=O)[C@@H](C)CO1 ZINC000617744319 373587517 /nfs/dbraw/zinc/58/75/17/373587517.db2.gz WCCRAVJUEVLGOX-DTWKUNHWSA-N 1 2 258.322 -1.120 20 0 CAADLO C[C@@H]1C[N@@H+](CCNC(=O)CNC(N)=O)[C@@H](C)CO1 ZINC000617744319 373587524 /nfs/dbraw/zinc/58/75/24/373587524.db2.gz WCCRAVJUEVLGOX-DTWKUNHWSA-N 1 2 258.322 -1.120 20 0 CAADLO C[C@@H]1C[N@H+](CCNC(=O)Cn2cnnn2)[C@@H](C)CO1 ZINC000617740117 373588366 /nfs/dbraw/zinc/58/83/66/373588366.db2.gz BFKDDGRKWNUYSL-VHSXEESVSA-N 1 2 268.321 -1.102 20 0 CAADLO C[C@@H]1C[N@@H+](CCNC(=O)Cn2cnnn2)[C@@H](C)CO1 ZINC000617740117 373588370 /nfs/dbraw/zinc/58/83/70/373588370.db2.gz BFKDDGRKWNUYSL-VHSXEESVSA-N 1 2 268.321 -1.102 20 0 CAADLO O=C1NC[C@@H]2C[N@H+](CCc3cnccn3)CCN2C1=O ZINC000639518592 373589854 /nfs/dbraw/zinc/58/98/54/373589854.db2.gz KKOGWNVDUKOHNS-LLVKDONJSA-N 1 2 275.312 -1.338 20 0 CAADLO O=C1NC[C@@H]2C[N@@H+](CCc3cnccn3)CCN2C1=O ZINC000639518592 373589863 /nfs/dbraw/zinc/58/98/63/373589863.db2.gz KKOGWNVDUKOHNS-LLVKDONJSA-N 1 2 275.312 -1.338 20 0 CAADLO Cc1nn(CC(=O)N[C@@H](C)C[NH+]2CCOCC2)c(=O)o1 ZINC000639527355 373591109 /nfs/dbraw/zinc/59/11/09/373591109.db2.gz PJIRENUBUAMKNI-VIFPVBQESA-N 1 2 284.316 -1.018 20 0 CAADLO Cc1nn(CC(=O)N[C@H](C)C[NH+]2CCOCC2)c(=O)o1 ZINC000639527354 373591564 /nfs/dbraw/zinc/59/15/64/373591564.db2.gz PJIRENUBUAMKNI-SECBINFHSA-N 1 2 284.316 -1.018 20 0 CAADLO O=C1NC[C@H]2C[N@H+](CCc3cnccn3)CCN2C1=O ZINC000639518593 373591723 /nfs/dbraw/zinc/59/17/23/373591723.db2.gz KKOGWNVDUKOHNS-NSHDSACASA-N 1 2 275.312 -1.338 20 0 CAADLO O=C1NC[C@H]2C[N@@H+](CCc3cnccn3)CCN2C1=O ZINC000639518593 373591734 /nfs/dbraw/zinc/59/17/34/373591734.db2.gz KKOGWNVDUKOHNS-NSHDSACASA-N 1 2 275.312 -1.338 20 0 CAADLO Cc1nn(CC(=O)NCC[N@@H+]2CCO[C@@H](C)C2)c(=O)o1 ZINC000639637453 373592849 /nfs/dbraw/zinc/59/28/49/373592849.db2.gz GVYQNBHITPJSCS-VIFPVBQESA-N 1 2 284.316 -1.018 20 0 CAADLO Cc1nn(CC(=O)NCC[N@H+]2CCO[C@@H](C)C2)c(=O)o1 ZINC000639637453 373592857 /nfs/dbraw/zinc/59/28/57/373592857.db2.gz GVYQNBHITPJSCS-VIFPVBQESA-N 1 2 284.316 -1.018 20 0 CAADLO CNC(=O)NC(=O)C[NH+]1CCN(Cc2nnc(C)[nH]2)CC1 ZINC000609849140 373593440 /nfs/dbraw/zinc/59/34/40/373593440.db2.gz GBAUYSCYAWXBIJ-UHFFFAOYSA-N 1 2 295.347 -1.314 20 0 CAADLO Cc1nnc(CN2CC[NH+]([C@H](C)C(=O)NC(N)=O)CC2)[nH]1 ZINC000609849502 373593712 /nfs/dbraw/zinc/59/37/12/373593712.db2.gz QNYMMJCVPFCGDL-MRVPVSSYSA-N 1 2 295.347 -1.186 20 0 CAADLO NC(=O)[C@]1(O)CCC[N@H+](CC(=O)Nc2ccncc2)C1 ZINC000346567021 373537569 /nfs/dbraw/zinc/53/75/69/373537569.db2.gz GZXXMLIFAHNYTR-ZDUSSCGKSA-N 1 2 278.312 -1.246 20 0 CAADLO NC(=O)[C@]1(O)CCC[N@@H+](CC(=O)Nc2ccncc2)C1 ZINC000346567021 373537579 /nfs/dbraw/zinc/53/75/79/373537579.db2.gz GZXXMLIFAHNYTR-ZDUSSCGKSA-N 1 2 278.312 -1.246 20 0 CAADLO CCNS(=O)(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000346609922 373537677 /nfs/dbraw/zinc/53/76/77/373537677.db2.gz RMWFISHRBHTXOE-SECBINFHSA-N 1 2 250.368 -1.324 20 0 CAADLO CCNS(=O)(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000346609922 373537683 /nfs/dbraw/zinc/53/76/83/373537683.db2.gz RMWFISHRBHTXOE-SECBINFHSA-N 1 2 250.368 -1.324 20 0 CAADLO CCNS(=O)(=O)NC[C@@H]1CN(C)CC[N@@H+]1C ZINC000346609922 373537691 /nfs/dbraw/zinc/53/76/91/373537691.db2.gz RMWFISHRBHTXOE-SECBINFHSA-N 1 2 250.368 -1.324 20 0 CAADLO CCNS(=O)(=O)NC[C@@H]1CN(C)CC[N@H+]1C ZINC000346609922 373537696 /nfs/dbraw/zinc/53/76/96/373537696.db2.gz RMWFISHRBHTXOE-SECBINFHSA-N 1 2 250.368 -1.324 20 0 CAADLO COC(=O)CNC(=O)[C@H](C)[N@H+](C)CC(=O)N(C)C ZINC000346741697 373540785 /nfs/dbraw/zinc/54/07/85/373540785.db2.gz SMWVSCQPYGFQTG-QMMMGPOBSA-N 1 2 259.306 -1.316 20 0 CAADLO COC(=O)CNC(=O)[C@H](C)[N@@H+](C)CC(=O)N(C)C ZINC000346741697 373540788 /nfs/dbraw/zinc/54/07/88/373540788.db2.gz SMWVSCQPYGFQTG-QMMMGPOBSA-N 1 2 259.306 -1.316 20 0 CAADLO COC(=O)[C@]1(NC[C@@H](O)C[NH+]2CCOCC2)CCOC1 ZINC000348121465 373542034 /nfs/dbraw/zinc/54/20/34/373542034.db2.gz GJGUUISHUGJNMO-YPMHNXCESA-N 1 2 288.344 -1.399 20 0 CAADLO COC(=O)[C@@]1(NC[C@@H](O)C[NH+]2CCOCC2)CCOC1 ZINC000348121462 373542395 /nfs/dbraw/zinc/54/23/95/373542395.db2.gz GJGUUISHUGJNMO-DGCLKSJQSA-N 1 2 288.344 -1.399 20 0 CAADLO CNC(=O)CCN(CC[NH+]1CCOCC1)CC(=O)OC ZINC000348090009 373543149 /nfs/dbraw/zinc/54/31/49/373543149.db2.gz UMUYHVCPNHALKR-UHFFFAOYSA-N 1 2 287.360 -1.070 20 0 CAADLO CNC(=O)CC[N@H+](CCN1CCOCC1)CC(=O)OC ZINC000348090009 373543157 /nfs/dbraw/zinc/54/31/57/373543157.db2.gz UMUYHVCPNHALKR-UHFFFAOYSA-N 1 2 287.360 -1.070 20 0 CAADLO CNC(=O)CC[N@@H+](CCN1CCOCC1)CC(=O)OC ZINC000348090009 373543162 /nfs/dbraw/zinc/54/31/62/373543162.db2.gz UMUYHVCPNHALKR-UHFFFAOYSA-N 1 2 287.360 -1.070 20 0 CAADLO COC(=O)[C@]1(NC[C@H](O)C[NH+]2CCOCC2)CCOC1 ZINC000348121456 373543502 /nfs/dbraw/zinc/54/35/02/373543502.db2.gz GJGUUISHUGJNMO-AAEUAGOBSA-N 1 2 288.344 -1.399 20 0 CAADLO CO[C@@]1(C[N@@H+]2CCN(CC(N)=O)C(=O)C2)CCOC1 ZINC000639256558 373548186 /nfs/dbraw/zinc/54/81/86/373548186.db2.gz BWFFPWRGHQFHAK-GFCCVEGCSA-N 1 2 271.317 -1.579 20 0 CAADLO CO[C@@]1(C[N@H+]2CCN(CC(N)=O)C(=O)C2)CCOC1 ZINC000639256558 373548196 /nfs/dbraw/zinc/54/81/96/373548196.db2.gz BWFFPWRGHQFHAK-GFCCVEGCSA-N 1 2 271.317 -1.579 20 0 CAADLO NS(=O)(=O)c1cnc(N2CC[NH+](CCO)CC2)s1 ZINC000623230872 373550642 /nfs/dbraw/zinc/55/06/42/373550642.db2.gz QBPFOUGYZWKOCY-UHFFFAOYSA-N 1 2 292.386 -1.095 20 0 CAADLO CN(CCC(N)=O)C(=O)NCC[NH+]1CCOCC1 ZINC000349681559 373552943 /nfs/dbraw/zinc/55/29/43/373552943.db2.gz XCPDNKJYCFEWPY-UHFFFAOYSA-N 1 2 258.322 -1.165 20 0 CAADLO CNC(=O)C[NH+]1CCN(c2nccn3cnnc23)CC1 ZINC000608368659 373553404 /nfs/dbraw/zinc/55/34/04/373553404.db2.gz YGKKLSYSTLLMNI-UHFFFAOYSA-N 1 2 275.316 -1.008 20 0 CAADLO CC(C)[N@H+](CC(N)=O)CC(=O)N[C@@H](C)C(=O)N(C)C ZINC000051477095 373559426 /nfs/dbraw/zinc/55/94/26/373559426.db2.gz UJPOEPDSQOMIKT-VIFPVBQESA-N 1 2 272.349 -1.225 20 0 CAADLO CC(C)[N@@H+](CC(N)=O)CC(=O)N[C@@H](C)C(=O)N(C)C ZINC000051477095 373559432 /nfs/dbraw/zinc/55/94/32/373559432.db2.gz UJPOEPDSQOMIKT-VIFPVBQESA-N 1 2 272.349 -1.225 20 0 CAADLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1Cc1nc(N)nc(N)n1 ZINC000352882477 373595652 /nfs/dbraw/zinc/59/56/52/373595652.db2.gz HIZMUMHRXRSKBH-ZJUUUORDSA-N 1 2 293.375 -1.008 20 0 CAADLO C[C@@H]1C[C@H](N2CCOCC2)C[N@@H+]1Cc1nc(N)nc(N)n1 ZINC000352882477 373595658 /nfs/dbraw/zinc/59/56/58/373595658.db2.gz HIZMUMHRXRSKBH-ZJUUUORDSA-N 1 2 293.375 -1.008 20 0 CAADLO C[C@@H]1C[C@H](N2CCOCC2)C[N@H+]1Cc1nc(N)nc(N)n1 ZINC000352882477 373595661 /nfs/dbraw/zinc/59/56/61/373595661.db2.gz HIZMUMHRXRSKBH-ZJUUUORDSA-N 1 2 293.375 -1.008 20 0 CAADLO O=S(=O)(N1CCOCC1)N1CC[NH+](CCO)CC1 ZINC000035119920 373562269 /nfs/dbraw/zinc/56/22/69/373562269.db2.gz ZESFRIUNHIFSOJ-UHFFFAOYSA-N 1 2 279.362 -1.827 20 0 CAADLO Cn1nnc(C[NH+]2C[C@@]3(C)C(=O)NC(=O)[C@]3(C)C2)n1 ZINC000639365504 373563833 /nfs/dbraw/zinc/56/38/33/373563833.db2.gz PKLRFEBTZNTCML-QWRGUYRKSA-N 1 2 264.289 -1.305 20 0 CAADLO Cn1nccc1CC[N@@H+]1CCN(CC(N)=O)C(=O)C1 ZINC000639671090 373595715 /nfs/dbraw/zinc/59/57/15/373595715.db2.gz RQBHGUBYQYHONE-UHFFFAOYSA-N 1 2 265.317 -1.408 20 0 CAADLO Cn1nccc1CC[N@H+]1CCN(CC(N)=O)C(=O)C1 ZINC000639671090 373595719 /nfs/dbraw/zinc/59/57/19/373595719.db2.gz RQBHGUBYQYHONE-UHFFFAOYSA-N 1 2 265.317 -1.408 20 0 CAADLO C[C@H](CN1CCOCC1)[N@@H+]1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC000329323393 373566275 /nfs/dbraw/zinc/56/62/75/373566275.db2.gz RYIZZAYOBNCGKA-NEPJUHHUSA-N 1 2 296.371 -1.650 20 0 CAADLO C[C@H](CN1CCOCC1)[N@H+]1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC000329323393 373566279 /nfs/dbraw/zinc/56/62/79/373566279.db2.gz RYIZZAYOBNCGKA-NEPJUHHUSA-N 1 2 296.371 -1.650 20 0 CAADLO CN1CC[N@H+](C)C[C@H]1CNS(=O)(=O)N1CCOCC1 ZINC000329344011 373568002 /nfs/dbraw/zinc/56/80/02/373568002.db2.gz CJDPVENORIGZNB-LLVKDONJSA-N 1 2 292.405 -1.601 20 0 CAADLO CN1CC[N@@H+](C)C[C@H]1CNS(=O)(=O)N1CCOCC1 ZINC000329344011 373568010 /nfs/dbraw/zinc/56/80/10/373568010.db2.gz CJDPVENORIGZNB-LLVKDONJSA-N 1 2 292.405 -1.601 20 0 CAADLO C[C@H](CN1CCOCC1)[N@@H+]1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC000329323401 373568380 /nfs/dbraw/zinc/56/83/80/373568380.db2.gz RYIZZAYOBNCGKA-VXGBXAGGSA-N 1 2 296.371 -1.650 20 0 CAADLO C[C@H](CN1CCOCC1)[N@H+]1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC000329323401 373568390 /nfs/dbraw/zinc/56/83/90/373568390.db2.gz RYIZZAYOBNCGKA-VXGBXAGGSA-N 1 2 296.371 -1.650 20 0 CAADLO C[C@H]1COCC[N@@H+]1CCNC(=O)CCNS(C)(=O)=O ZINC000520526205 373568635 /nfs/dbraw/zinc/56/86/35/373568635.db2.gz UDNHUHNGLGIWSW-JTQLQIEISA-N 1 2 293.389 -1.237 20 0 CAADLO C[C@H]1COCC[N@H+]1CCNC(=O)CCNS(C)(=O)=O ZINC000520526205 373568643 /nfs/dbraw/zinc/56/86/43/373568643.db2.gz UDNHUHNGLGIWSW-JTQLQIEISA-N 1 2 293.389 -1.237 20 0 CAADLO CN1CC[N@H+](C)C[C@@H]1CNS(=O)(=O)N1CCOCC1 ZINC000329344017 373569318 /nfs/dbraw/zinc/56/93/18/373569318.db2.gz CJDPVENORIGZNB-NSHDSACASA-N 1 2 292.405 -1.601 20 0 CAADLO CN1CC[N@@H+](C)C[C@@H]1CNS(=O)(=O)N1CCOCC1 ZINC000329344017 373569329 /nfs/dbraw/zinc/56/93/29/373569329.db2.gz CJDPVENORIGZNB-NSHDSACASA-N 1 2 292.405 -1.601 20 0 CAADLO COC(=O)CNC(=O)C[N@H+](C)CCN1CCCC1=O ZINC000609578730 373569626 /nfs/dbraw/zinc/56/96/26/373569626.db2.gz BEGSLVRCZDDWTL-UHFFFAOYSA-N 1 2 271.317 -1.170 20 0 CAADLO COC(=O)CNC(=O)C[N@@H+](C)CCN1CCCC1=O ZINC000609578730 373569632 /nfs/dbraw/zinc/56/96/32/373569632.db2.gz BEGSLVRCZDDWTL-UHFFFAOYSA-N 1 2 271.317 -1.170 20 0 CAADLO CN1CCN(CC(=O)N2CCn3c[nH+]cc3C2)CC1=O ZINC000329663159 373570644 /nfs/dbraw/zinc/57/06/44/373570644.db2.gz PAUXRAHNTVPLFR-UHFFFAOYSA-N 1 2 277.328 -1.001 20 0 CAADLO CC[C@@H](C(=O)N[C@@H](CO)C[NH+]1CCOCC1)C(=O)OC ZINC000351505456 373570719 /nfs/dbraw/zinc/57/07/19/373570719.db2.gz NSYFIWGXXXXURD-MNOVXSKESA-N 1 2 288.344 -1.005 20 0 CAADLO CC[C@@H](C(=O)N[C@H](CO)C[NH+]1CCOCC1)C(=O)OC ZINC000351505457 373570916 /nfs/dbraw/zinc/57/09/16/373570916.db2.gz NSYFIWGXXXXURD-QWRGUYRKSA-N 1 2 288.344 -1.005 20 0 CAADLO CC[C@H](C(=O)N[C@@H](CO)C[NH+]1CCOCC1)C(=O)OC ZINC000351505455 373570976 /nfs/dbraw/zinc/57/09/76/373570976.db2.gz NSYFIWGXXXXURD-GHMZBOCLSA-N 1 2 288.344 -1.005 20 0 CAADLO O=C(N[C@H](CO)C[NH+]1CCOCC1)[C@@H]1CCCNC1=O ZINC000632855331 373596025 /nfs/dbraw/zinc/59/60/25/373596025.db2.gz QSBZNDZHKMSXQK-WDEREUQCSA-N 1 2 285.344 -1.678 20 0 CAADLO O=C(Cn1ccccc1=O)N[C@H](CO)C[NH+]1CCOCC1 ZINC000351485292 373571303 /nfs/dbraw/zinc/57/13/03/373571303.db2.gz YJAHJMAOUDGCCK-LBPRGKRZSA-N 1 2 295.339 -1.342 20 0 CAADLO CCOCCOCC(=O)N[C@@H](CO)C[NH+]1CCOCC1 ZINC000351504366 373571598 /nfs/dbraw/zinc/57/15/98/373571598.db2.gz JFUCMQVJOGZXDL-GFCCVEGCSA-N 1 2 290.360 -1.151 20 0 CAADLO O=C(Cn1ccccc1=O)N[C@@H](CO)C[NH+]1CCOCC1 ZINC000351485291 373572478 /nfs/dbraw/zinc/57/24/78/373572478.db2.gz YJAHJMAOUDGCCK-GFCCVEGCSA-N 1 2 295.339 -1.342 20 0 CAADLO CCCC(=O)NCC(=O)N[C@@H](CO)C[NH+]1CCOCC1 ZINC000351504623 373572522 /nfs/dbraw/zinc/57/25/22/373572522.db2.gz KFXLMFUDBWTQAE-LLVKDONJSA-N 1 2 287.360 -1.288 20 0 CAADLO CS(=O)(=O)NCC(=O)NCC[NH+]1CCOCC1 ZINC000036105793 373575194 /nfs/dbraw/zinc/57/51/94/373575194.db2.gz AMCYICBNUJKVIU-UHFFFAOYSA-N 1 2 265.335 -2.016 20 0 CAADLO Cn1[nH]cnc1=NC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000626456121 373623455 /nfs/dbraw/zinc/62/34/55/373623455.db2.gz KAKAOHFAXGMXOJ-MRVPVSSYSA-N 1 2 254.294 -1.311 20 0 CAADLO Cn1[nH]cnc1=NC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000626456121 373623465 /nfs/dbraw/zinc/62/34/65/373623465.db2.gz KAKAOHFAXGMXOJ-MRVPVSSYSA-N 1 2 254.294 -1.311 20 0 CAADLO COC(=O)CNC(=O)C[N@@H+]1C[C@@H]2CCC[C@H]2[C@H]1C(N)=O ZINC000368975388 373623688 /nfs/dbraw/zinc/62/36/88/373623688.db2.gz QYJYIVXMDSUNTI-SBMIAAHKSA-N 1 2 283.328 -1.139 20 0 CAADLO COC(=O)CNC(=O)C[N@H+]1C[C@@H]2CCC[C@H]2[C@H]1C(N)=O ZINC000368975388 373623693 /nfs/dbraw/zinc/62/36/93/373623693.db2.gz QYJYIVXMDSUNTI-SBMIAAHKSA-N 1 2 283.328 -1.139 20 0 CAADLO NC(=O)[C@H]1C[C@H](NC(=O)NCC[NH+]2CCOCC2)C1 ZINC000623393356 373625852 /nfs/dbraw/zinc/62/58/52/373625852.db2.gz GUIPHPCIKJGSLJ-MGCOHNPYSA-N 1 2 270.333 -1.118 20 0 CAADLO COC(=O)[C@@H]1C[C@@H]1C(=O)N1CCC[N@H+](CC(N)=O)CC1 ZINC000372562553 373627706 /nfs/dbraw/zinc/62/77/06/373627706.db2.gz FRNHBJOOSBDVOV-VHSXEESVSA-N 1 2 283.328 -1.185 20 0 CAADLO COC(=O)[C@@H]1C[C@@H]1C(=O)N1CCC[N@@H+](CC(N)=O)CC1 ZINC000372562553 373627710 /nfs/dbraw/zinc/62/77/10/373627710.db2.gz FRNHBJOOSBDVOV-VHSXEESVSA-N 1 2 283.328 -1.185 20 0 CAADLO CC(=O)N1CCN(C(=O)C[N@H+](C)CC(=O)NC2CC2)CC1 ZINC000016352717 373631308 /nfs/dbraw/zinc/63/13/08/373631308.db2.gz JYGHFMOTWAAZMU-UHFFFAOYSA-N 1 2 296.371 -1.113 20 0 CAADLO CC(=O)N1CCN(C(=O)C[N@@H+](C)CC(=O)NC2CC2)CC1 ZINC000016352717 373631312 /nfs/dbraw/zinc/63/13/12/373631312.db2.gz JYGHFMOTWAAZMU-UHFFFAOYSA-N 1 2 296.371 -1.113 20 0 CAADLO COCCN(C)S(=O)(=O)[C@@H]1CCC[N@H+](CC(N)=O)C1 ZINC000373801477 373631355 /nfs/dbraw/zinc/63/13/55/373631355.db2.gz UNIVTUCKDUHFGU-SNVBAGLBSA-N 1 2 293.389 -1.156 20 0 CAADLO COCCN(C)S(=O)(=O)[C@@H]1CCC[N@@H+](CC(N)=O)C1 ZINC000373801477 373631359 /nfs/dbraw/zinc/63/13/59/373631359.db2.gz UNIVTUCKDUHFGU-SNVBAGLBSA-N 1 2 293.389 -1.156 20 0 CAADLO CCOC(=O)[C@@H](N)C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000223933213 373632562 /nfs/dbraw/zinc/63/25/62/373632562.db2.gz SFDBKYZDDOWKDG-ZJUUUORDSA-N 1 2 273.333 -1.286 20 0 CAADLO C[C@@H](C(=O)NC(N)=O)[N@@H+]1CCN2CCOC[C@@H]2C1 ZINC000368212504 373635275 /nfs/dbraw/zinc/63/52/75/373635275.db2.gz OJRNELNBDXQQSE-IUCAKERBSA-N 1 2 256.306 -1.414 20 0 CAADLO C[C@@H](C(=O)NC(N)=O)[N@H+]1CCN2CCOC[C@@H]2C1 ZINC000368212504 373635278 /nfs/dbraw/zinc/63/52/78/373635278.db2.gz OJRNELNBDXQQSE-IUCAKERBSA-N 1 2 256.306 -1.414 20 0 CAADLO C[C@H](C(=O)N(CC(N)=O)CC(N)=O)[NH+]1CC(C)C1 ZINC000583271665 373636234 /nfs/dbraw/zinc/63/62/34/373636234.db2.gz LPLKHGCMCRXSFR-MRVPVSSYSA-N 1 2 256.306 -1.874 20 0 CAADLO C[C@H]1C(=O)NCCC[N@H+]1CC(=O)N1CCNC1=O ZINC000189311838 373637506 /nfs/dbraw/zinc/63/75/06/373637506.db2.gz ZILZOFAUNCAQJY-QMMMGPOBSA-N 1 2 254.290 -1.251 20 0 CAADLO C[C@H]1C(=O)NCCC[N@@H+]1CC(=O)N1CCNC1=O ZINC000189311838 373637512 /nfs/dbraw/zinc/63/75/12/373637512.db2.gz ZILZOFAUNCAQJY-QMMMGPOBSA-N 1 2 254.290 -1.251 20 0 CAADLO O=C(NC[C@H]1C[NH+]2CCN1CC2)[C@@H]1CCNC(=O)C1 ZINC000178731958 373637912 /nfs/dbraw/zinc/63/79/12/373637912.db2.gz AXNZMTWOAKYNID-MNOVXSKESA-N 1 2 266.345 -1.371 20 0 CAADLO CNC(=O)CC[NH+]1CCN(S(N)(=O)=O)CC1 ZINC000073604588 373639552 /nfs/dbraw/zinc/63/95/52/373639552.db2.gz KGDGQZZPVSHLJW-UHFFFAOYSA-N 1 2 250.324 -2.056 20 0 CAADLO NS(=O)(=O)CCCS(=O)(=O)Nc1cc[nH+]cc1 ZINC000349444752 373639687 /nfs/dbraw/zinc/63/96/87/373639687.db2.gz DOBLWMZDFXJNQA-UHFFFAOYSA-N 1 2 279.343 -1.076 20 0 CAADLO COC(=O)CC1(NC(=O)CN2CC[NH2+]CC2=O)CC1 ZINC000583329481 373640327 /nfs/dbraw/zinc/64/03/27/373640327.db2.gz ZPXGATVUEBSVNF-UHFFFAOYSA-N 1 2 269.301 -1.370 20 0 CAADLO CC(C)(CO)C(=O)NCC(=O)NCC[NH+]1CCOCC1 ZINC000583761047 373640704 /nfs/dbraw/zinc/64/07/04/373640704.db2.gz DYJIPFRFLVKVAK-UHFFFAOYSA-N 1 2 287.360 -1.431 20 0 CAADLO CNC(=O)C[NH+]1CCN(c2nnc(C)n2C)CC1 ZINC000639973371 373644833 /nfs/dbraw/zinc/64/48/33/373644833.db2.gz HXUZYORZTRFOCO-UHFFFAOYSA-N 1 2 252.322 -1.008 20 0 CAADLO CCN1C(=O)[C@H]2C[N@H+](CC(=O)NC(N)=O)CCN2C1=O ZINC000610605687 373645202 /nfs/dbraw/zinc/64/52/02/373645202.db2.gz TWVZJNWLHLWNIO-SSDOTTSWSA-N 1 2 283.288 -1.850 20 0 CAADLO CCN1C(=O)[C@H]2C[N@@H+](CC(=O)NC(N)=O)CCN2C1=O ZINC000610605687 373645205 /nfs/dbraw/zinc/64/52/05/373645205.db2.gz TWVZJNWLHLWNIO-SSDOTTSWSA-N 1 2 283.288 -1.850 20 0 CAADLO O=C(C[N@H+]1C[C@H](O)C[C@H](O)C1)NC(=O)NCC(F)(F)F ZINC000610604158 373645655 /nfs/dbraw/zinc/64/56/55/373645655.db2.gz DKOZPLJJQJZYQU-KNVOCYPGSA-N 1 2 299.249 -1.198 20 0 CAADLO O=C(C[N@@H+]1C[C@H](O)C[C@H](O)C1)NC(=O)NCC(F)(F)F ZINC000610604158 373645660 /nfs/dbraw/zinc/64/56/60/373645660.db2.gz DKOZPLJJQJZYQU-KNVOCYPGSA-N 1 2 299.249 -1.198 20 0 CAADLO C[N@H+](CCN1CCCS1(=O)=O)CC(=O)NC(N)=O ZINC000610604334 373646158 /nfs/dbraw/zinc/64/61/58/373646158.db2.gz MLHHTTAXULCAJL-UHFFFAOYSA-N 1 2 278.334 -1.851 20 0 CAADLO C[N@@H+](CCN1CCCS1(=O)=O)CC(=O)NC(N)=O ZINC000610604334 373646168 /nfs/dbraw/zinc/64/61/68/373646168.db2.gz MLHHTTAXULCAJL-UHFFFAOYSA-N 1 2 278.334 -1.851 20 0 CAADLO COCCCNC(=O)C[N@H+](C)CC(=O)NC(N)=O ZINC000053141575 373647368 /nfs/dbraw/zinc/64/73/68/373647368.db2.gz WJMQFLSRHMIOPB-UHFFFAOYSA-N 1 2 260.294 -1.734 20 0 CAADLO COCCCNC(=O)C[N@@H+](C)CC(=O)NC(N)=O ZINC000053141575 373647371 /nfs/dbraw/zinc/64/73/71/373647371.db2.gz WJMQFLSRHMIOPB-UHFFFAOYSA-N 1 2 260.294 -1.734 20 0 CAADLO CN(CC(=O)N1CC[NH+](C)CC1)Cc1n[nH]c(=O)[nH]1 ZINC000640051168 373650584 /nfs/dbraw/zinc/65/05/84/373650584.db2.gz KDHUINJWJZHTGC-UHFFFAOYSA-N 1 2 268.321 -1.284 20 0 CAADLO CCNC(=O)C[N@H+](C)CC(=O)NC(=O)N[C@H](C)COC ZINC000052188041 373650597 /nfs/dbraw/zinc/65/05/97/373650597.db2.gz ZENHFAXVPAHKOQ-SECBINFHSA-N 1 2 288.348 -1.085 20 0 CAADLO CCNC(=O)C[N@@H+](C)CC(=O)NC(=O)N[C@H](C)COC ZINC000052188041 373650601 /nfs/dbraw/zinc/65/06/01/373650601.db2.gz ZENHFAXVPAHKOQ-SECBINFHSA-N 1 2 288.348 -1.085 20 0 CAADLO CN1CCN(C(=O)C[N@H+](C)CCCS(N)(=O)=O)CC1 ZINC000640058397 373650871 /nfs/dbraw/zinc/65/08/71/373650871.db2.gz MFWMKZOCXIMICD-UHFFFAOYSA-N 1 2 292.405 -1.629 20 0 CAADLO CN1CCN(C(=O)C[N@@H+](C)CCCS(N)(=O)=O)CC1 ZINC000640058397 373650879 /nfs/dbraw/zinc/65/08/79/373650879.db2.gz MFWMKZOCXIMICD-UHFFFAOYSA-N 1 2 292.405 -1.629 20 0 CAADLO CNC(=O)NC[C@@H]1COCC[N@@H+]1C[C@@H](O)COC ZINC000640103525 373652348 /nfs/dbraw/zinc/65/23/48/373652348.db2.gz SPOQWJCWSNAOFQ-NXEZZACHSA-N 1 2 261.322 -1.377 20 0 CAADLO CNC(=O)NC[C@@H]1COCC[N@H+]1C[C@@H](O)COC ZINC000640103525 373652353 /nfs/dbraw/zinc/65/23/53/373652353.db2.gz SPOQWJCWSNAOFQ-NXEZZACHSA-N 1 2 261.322 -1.377 20 0 CAADLO CNC(=O)NC[C@H]1COCC[N@@H+]1C[C@H](O)COC ZINC000640103527 373652468 /nfs/dbraw/zinc/65/24/68/373652468.db2.gz SPOQWJCWSNAOFQ-UWVGGRQHSA-N 1 2 261.322 -1.377 20 0 CAADLO CNC(=O)NC[C@H]1COCC[N@H+]1C[C@H](O)COC ZINC000640103527 373652474 /nfs/dbraw/zinc/65/24/74/373652474.db2.gz SPOQWJCWSNAOFQ-UWVGGRQHSA-N 1 2 261.322 -1.377 20 0 CAADLO CNC(=O)NC[C@H]1COCCN1CC[NH+]1CCOCC1 ZINC000640104307 373652570 /nfs/dbraw/zinc/65/25/70/373652570.db2.gz YXLDPLJPGDDSAO-LBPRGKRZSA-N 1 2 286.376 -1.052 20 0 CAADLO CS(=O)(=O)N[C@H]1CCC[N@H+](CC(=O)NC(N)=O)C1 ZINC000052669410 373655078 /nfs/dbraw/zinc/65/50/78/373655078.db2.gz ZHXLVDUSLWSHJC-ZETCQYMHSA-N 1 2 278.334 -1.805 20 0 CAADLO CS(=O)(=O)N[C@H]1CCC[N@@H+](CC(=O)NC(N)=O)C1 ZINC000052669410 373655082 /nfs/dbraw/zinc/65/50/82/373655082.db2.gz ZHXLVDUSLWSHJC-ZETCQYMHSA-N 1 2 278.334 -1.805 20 0 CAADLO C[C@H](C(=O)NC(N)=O)[N@@H+]1CCC[C@H](NS(C)(=O)=O)C1 ZINC000052669554 373655400 /nfs/dbraw/zinc/65/54/00/373655400.db2.gz XHLYGHOLNFWUQT-SFYZADRCSA-N 1 2 292.361 -1.417 20 0 CAADLO C[C@H](C(=O)NC(N)=O)[N@H+]1CCC[C@H](NS(C)(=O)=O)C1 ZINC000052669554 373655407 /nfs/dbraw/zinc/65/54/07/373655407.db2.gz XHLYGHOLNFWUQT-SFYZADRCSA-N 1 2 292.361 -1.417 20 0 CAADLO C[C@H]1C(=O)NCC[N@H+]1Cc1cn(C)c(=O)n(C)c1=O ZINC000352972269 373598893 /nfs/dbraw/zinc/59/88/93/373598893.db2.gz INARJUQHNYBGCA-QMMMGPOBSA-N 1 2 266.301 -1.596 20 0 CAADLO C[C@H]1C(=O)NCC[N@@H+]1Cc1cn(C)c(=O)n(C)c1=O ZINC000352972269 373598899 /nfs/dbraw/zinc/59/88/99/373598899.db2.gz INARJUQHNYBGCA-QMMMGPOBSA-N 1 2 266.301 -1.596 20 0 CAADLO CNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@H]2[C@@H](CCS2(=O)=O)C1 ZINC000353117293 373601862 /nfs/dbraw/zinc/60/18/62/373601862.db2.gz IJZZECTZZUOFJT-CIUDSAMLSA-N 1 2 289.357 -1.051 20 0 CAADLO CNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@H]2[C@@H](CCS2(=O)=O)C1 ZINC000353117293 373601870 /nfs/dbraw/zinc/60/18/70/373601870.db2.gz IJZZECTZZUOFJT-CIUDSAMLSA-N 1 2 289.357 -1.051 20 0 CAADLO CNC(=O)CC[N@@H+]1CCOC[C@@H]1CNC(=O)NC ZINC000640125228 373656099 /nfs/dbraw/zinc/65/60/99/373656099.db2.gz SBHGWINMFHTSKY-VIFPVBQESA-N 1 2 258.322 -1.248 20 0 CAADLO CNC(=O)CC[N@H+]1CCOC[C@@H]1CNC(=O)NC ZINC000640125228 373656106 /nfs/dbraw/zinc/65/61/06/373656106.db2.gz SBHGWINMFHTSKY-VIFPVBQESA-N 1 2 258.322 -1.248 20 0 CAADLO CCNC(=O)CNS(=O)(=O)CCC[NH+]1CCOCC1 ZINC000354070958 373605637 /nfs/dbraw/zinc/60/56/37/373605637.db2.gz AKRHMGULOUILQH-UHFFFAOYSA-N 1 2 293.389 -1.236 20 0 CAADLO COC(=O)[C@@H]1CC[C@@H](C(=O)NC[C@@H]2C[NH+]3CCN2CC3)O1 ZINC000355145802 373608643 /nfs/dbraw/zinc/60/86/43/373608643.db2.gz RUGUEDXNCMHVBQ-WOPDTQHZSA-N 1 2 297.355 -1.177 20 0 CAADLO COC(=O)CNC(=O)C[N@@H+]1CC[C@H](NC(=O)NC2CC2)C1 ZINC000355112596 373609707 /nfs/dbraw/zinc/60/97/07/373609707.db2.gz YUDIDFHCFLYBBP-JTQLQIEISA-N 1 2 298.343 -1.189 20 0 CAADLO COC(=O)CNC(=O)C[N@H+]1CC[C@H](NC(=O)NC2CC2)C1 ZINC000355112596 373609715 /nfs/dbraw/zinc/60/97/15/373609715.db2.gz YUDIDFHCFLYBBP-JTQLQIEISA-N 1 2 298.343 -1.189 20 0 CAADLO COCC[N@H+](CCN1C(=O)CNC1=O)CC(=O)N(C)C ZINC000355756561 373611833 /nfs/dbraw/zinc/61/18/33/373611833.db2.gz WURTVVDQKXVWKX-UHFFFAOYSA-N 1 2 286.332 -1.425 20 0 CAADLO COCC[N@@H+](CCN1C(=O)CNC1=O)CC(=O)N(C)C ZINC000355756561 373611839 /nfs/dbraw/zinc/61/18/39/373611839.db2.gz WURTVVDQKXVWKX-UHFFFAOYSA-N 1 2 286.332 -1.425 20 0 CAADLO CO[C@H]1CN(C[C@@H](O)C[NH+]2CCOCC2)CCO1 ZINC000639833918 373613413 /nfs/dbraw/zinc/61/34/13/373613413.db2.gz KDJYNLCTGIYVBB-NWDGAFQWSA-N 1 2 260.334 -1.016 20 0 CAADLO CO[C@H]1C[N@H+](C[C@@H](O)CN2CCOCC2)CCO1 ZINC000639833918 373613424 /nfs/dbraw/zinc/61/34/24/373613424.db2.gz KDJYNLCTGIYVBB-NWDGAFQWSA-N 1 2 260.334 -1.016 20 0 CAADLO CO[C@H]1C[N@@H+](C[C@@H](O)CN2CCOCC2)CCO1 ZINC000639833918 373613432 /nfs/dbraw/zinc/61/34/32/373613432.db2.gz KDJYNLCTGIYVBB-NWDGAFQWSA-N 1 2 260.334 -1.016 20 0 CAADLO CNC(=O)NC(=O)C[N@@H+]1CCC[C@H]1CS(N)(=O)=O ZINC000357907180 373614674 /nfs/dbraw/zinc/61/46/74/373614674.db2.gz GTMCAOSDXLVGDP-ZETCQYMHSA-N 1 2 278.334 -1.805 20 0 CAADLO CNC(=O)NC(=O)C[N@H+]1CCC[C@H]1CS(N)(=O)=O ZINC000357907180 373614682 /nfs/dbraw/zinc/61/46/82/373614682.db2.gz GTMCAOSDXLVGDP-ZETCQYMHSA-N 1 2 278.334 -1.805 20 0 CAADLO C[C@@H](C(=O)NC(N)=O)[N@@H+]1CCC[C@H](NS(C)(=O)=O)C1 ZINC000052669552 373656720 /nfs/dbraw/zinc/65/67/20/373656720.db2.gz XHLYGHOLNFWUQT-YUMQZZPRSA-N 1 2 292.361 -1.417 20 0 CAADLO C[C@@H](C(=O)NC(N)=O)[N@H+]1CCC[C@H](NS(C)(=O)=O)C1 ZINC000052669552 373656726 /nfs/dbraw/zinc/65/67/26/373656726.db2.gz XHLYGHOLNFWUQT-YUMQZZPRSA-N 1 2 292.361 -1.417 20 0 CAADLO CCNS(=O)(=O)[C@@H]1CC[N@H+](CC(=O)NC(=O)NC)C1 ZINC000362639212 373620764 /nfs/dbraw/zinc/62/07/64/373620764.db2.gz KMKZGKQKGJYMPB-MRVPVSSYSA-N 1 2 292.361 -1.544 20 0 CAADLO CCNS(=O)(=O)[C@@H]1CC[N@@H+](CC(=O)NC(=O)NC)C1 ZINC000362639212 373620772 /nfs/dbraw/zinc/62/07/72/373620772.db2.gz KMKZGKQKGJYMPB-MRVPVSSYSA-N 1 2 292.361 -1.544 20 0 CAADLO COCCS(=O)(=O)NC[C@](C)(O)C[NH+]1CCOCC1 ZINC000360438038 373620822 /nfs/dbraw/zinc/62/08/22/373620822.db2.gz PEGSNXYPFRRDJP-NSHDSACASA-N 1 2 296.389 -1.365 20 0 CAADLO CC(C)NC(=O)C[N@H+](C)CC(=O)N1C[C@H](O)[C@@H](O)C1 ZINC000628522585 373709806 /nfs/dbraw/zinc/70/98/06/373709806.db2.gz BBMWSHZYZOQJMT-UWVGGRQHSA-N 1 2 273.333 -1.993 20 0 CAADLO CC(C)NC(=O)C[N@@H+](C)CC(=O)N1C[C@H](O)[C@@H](O)C1 ZINC000628522585 373709812 /nfs/dbraw/zinc/70/98/12/373709812.db2.gz BBMWSHZYZOQJMT-UWVGGRQHSA-N 1 2 273.333 -1.993 20 0 CAADLO O=C(NC[C@@H]1C[NH+]2CCN1CC2)[C@H]1[C@@H]2COC[C@@H]21 ZINC000612747356 373710270 /nfs/dbraw/zinc/71/02/70/373710270.db2.gz LPNNFRCXJWWQRS-WYUUTHIRSA-N 1 2 251.330 -1.005 20 0 CAADLO O=C(NC[C@H]1C[NH+]2CCN1CC2)[C@H]1[C@@H]2COC[C@@H]21 ZINC000612747352 373710300 /nfs/dbraw/zinc/71/03/00/373710300.db2.gz LPNNFRCXJWWQRS-NNYUYHANSA-N 1 2 251.330 -1.005 20 0 CAADLO CO[C@H](C(=O)NCCC[N@@H+]1CCNC(=O)C1)[C@H]1CCOC1 ZINC000612879640 373713690 /nfs/dbraw/zinc/71/36/90/373713690.db2.gz BXJROSKJHKSQDS-AAEUAGOBSA-N 1 2 299.371 -1.024 20 0 CAADLO CO[C@H](C(=O)NCCC[N@H+]1CCNC(=O)C1)[C@H]1CCOC1 ZINC000612879640 373713699 /nfs/dbraw/zinc/71/36/99/373713699.db2.gz BXJROSKJHKSQDS-AAEUAGOBSA-N 1 2 299.371 -1.024 20 0 CAADLO CO[C@H](C(=O)NCCC[N@@H+]1CCNC(=O)C1)[C@@H]1CCOC1 ZINC000612879662 373713715 /nfs/dbraw/zinc/71/37/15/373713715.db2.gz BXJROSKJHKSQDS-YPMHNXCESA-N 1 2 299.371 -1.024 20 0 CAADLO CO[C@H](C(=O)NCCC[N@H+]1CCNC(=O)C1)[C@@H]1CCOC1 ZINC000612879662 373713723 /nfs/dbraw/zinc/71/37/23/373713723.db2.gz BXJROSKJHKSQDS-YPMHNXCESA-N 1 2 299.371 -1.024 20 0 CAADLO CO[C@@H](C(=O)NCCC[N@@H+]1CCNC(=O)C1)[C@H]1CCOC1 ZINC000612879661 373714201 /nfs/dbraw/zinc/71/42/01/373714201.db2.gz BXJROSKJHKSQDS-WCQYABFASA-N 1 2 299.371 -1.024 20 0 CAADLO CO[C@@H](C(=O)NCCC[N@H+]1CCNC(=O)C1)[C@H]1CCOC1 ZINC000612879661 373714215 /nfs/dbraw/zinc/71/42/15/373714215.db2.gz BXJROSKJHKSQDS-WCQYABFASA-N 1 2 299.371 -1.024 20 0 CAADLO O=C(NCCC[N@@H+]1CCNC(=O)C1)C1(n2cnnn2)CC1 ZINC000612880557 373714574 /nfs/dbraw/zinc/71/45/74/373714574.db2.gz PGEFARZUKTVEPQ-UHFFFAOYSA-N 1 2 293.331 -1.900 20 0 CAADLO O=C(NCCC[N@H+]1CCNC(=O)C1)C1(n2cnnn2)CC1 ZINC000612880557 373714579 /nfs/dbraw/zinc/71/45/79/373714579.db2.gz PGEFARZUKTVEPQ-UHFFFAOYSA-N 1 2 293.331 -1.900 20 0 CAADLO O=C(N1C[C@H](O)[C@@H](O)C1)C1([NH+]2CCOCC2)CCC1 ZINC000628525971 373715009 /nfs/dbraw/zinc/71/50/09/373715009.db2.gz GIGCPLUNPIQFJE-QWRGUYRKSA-N 1 2 270.329 -1.195 20 0 CAADLO CN(C(=O)CN1CC[NH2+]CC1=O)c1ccn(C)n1 ZINC000567111660 373668684 /nfs/dbraw/zinc/66/86/84/373668684.db2.gz VZDKRPZLNPJXRS-UHFFFAOYSA-N 1 2 251.290 -1.185 20 0 CAADLO C[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@H](CO)O1 ZINC000299967982 373671162 /nfs/dbraw/zinc/67/11/62/373671162.db2.gz QQYCQEBJWSHMJH-RKDXNWHRSA-N 1 2 257.290 -1.380 20 0 CAADLO C[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@H](CO)O1 ZINC000299967982 373671172 /nfs/dbraw/zinc/67/11/72/373671172.db2.gz QQYCQEBJWSHMJH-RKDXNWHRSA-N 1 2 257.290 -1.380 20 0 CAADLO CCOC(=O)C[C@H](O)C[NH+]1CCN(C(=O)[C@H](C)O)CC1 ZINC000611237856 373676109 /nfs/dbraw/zinc/67/61/09/373676109.db2.gz VNDDAQSCSNICJT-QWRGUYRKSA-N 1 2 288.344 -1.175 20 0 CAADLO CCOC(=O)C[C@H](O)C[NH+]1CCN(C(=O)[C@@H](C)O)CC1 ZINC000611237855 373676313 /nfs/dbraw/zinc/67/63/13/373676313.db2.gz VNDDAQSCSNICJT-MNOVXSKESA-N 1 2 288.344 -1.175 20 0 CAADLO CNS(=O)(=O)NCC(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000571939428 373678374 /nfs/dbraw/zinc/67/83/74/373678374.db2.gz NYHWCABDACHGGA-ZCFIWIBFSA-N 1 2 261.307 -1.359 20 0 CAADLO O=C(C[N@H+]1CC[C@H](CO)[C@H](O)C1)N1CCNC(=O)C1 ZINC000571857593 373678807 /nfs/dbraw/zinc/67/88/07/373678807.db2.gz LLYINTOVXIPARM-NXEZZACHSA-N 1 2 271.317 -2.380 20 0 CAADLO O=C(C[N@@H+]1CC[C@H](CO)[C@H](O)C1)N1CCNC(=O)C1 ZINC000571857593 373678812 /nfs/dbraw/zinc/67/88/12/373678812.db2.gz LLYINTOVXIPARM-NXEZZACHSA-N 1 2 271.317 -2.380 20 0 CAADLO CC(C)(C(N)=O)[NH+]1CCN(C(=O)[C@H]2CCNC2=O)CC1 ZINC000611637524 373683621 /nfs/dbraw/zinc/68/36/21/373683621.db2.gz KIDBMIYDLMBWNL-VIFPVBQESA-N 1 2 282.344 -1.469 20 0 CAADLO CN1C[C@H](C(=O)N2CC[NH+](C(C)(C)C(N)=O)CC2)NC1=O ZINC000611636886 373683639 /nfs/dbraw/zinc/68/36/39/373683639.db2.gz GILQBWJBJIFFEI-SECBINFHSA-N 1 2 297.359 -1.582 20 0 CAADLO CC(C)(C(N)=O)[NH+]1CCN(C(=O)[C@@H]2CC(=O)N2)CC1 ZINC000611637120 373683654 /nfs/dbraw/zinc/68/36/54/373683654.db2.gz HABOEGKZWZDSHU-QMMMGPOBSA-N 1 2 268.317 -1.717 20 0 CAADLO C[C@@H]1C[N@H+](CCNC(=O)Cn2ncn(C)c2=O)CCO1 ZINC000537609411 373720742 /nfs/dbraw/zinc/72/07/42/373720742.db2.gz VCUSQPFJAFZYGQ-SNVBAGLBSA-N 1 2 283.332 -1.581 20 0 CAADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)[C@@H](O)C1CC1 ZINC000612063770 373695441 /nfs/dbraw/zinc/69/54/41/373695441.db2.gz YVVOZNKHKPCEEW-NEPJUHHUSA-N 1 2 272.345 -1.091 20 0 CAADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)[C@@H]1CC(=O)N1 ZINC000612062853 373696026 /nfs/dbraw/zinc/69/60/26/373696026.db2.gz POBXYZFPULPZKX-ZJUUUORDSA-N 1 2 271.317 -1.974 20 0 CAADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@H](O)C1CC1 ZINC000612063771 373696288 /nfs/dbraw/zinc/69/62/88/373696288.db2.gz YVVOZNKHKPCEEW-NWDGAFQWSA-N 1 2 272.345 -1.091 20 0 CAADLO O=C([C@@H]1CC(=O)N1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000612307367 373700682 /nfs/dbraw/zinc/70/06/82/373700682.db2.gz GXPHSLPPSZYJLS-UWVGGRQHSA-N 1 2 253.302 -1.192 20 0 CAADLO CN1C[C@@H](C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)NC1=O ZINC000612308753 373701039 /nfs/dbraw/zinc/70/10/39/373701039.db2.gz OHWLRFKRHKRZJE-QWRGUYRKSA-N 1 2 282.344 -1.057 20 0 CAADLO O=C([C@@H]1CC(=O)NC(=O)N1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000612307234 373701685 /nfs/dbraw/zinc/70/16/85/373701685.db2.gz GAUCAJJBUPSPFU-UWVGGRQHSA-N 1 2 296.327 -1.482 20 0 CAADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)NCCS(N)(=O)=O ZINC000612601026 373704828 /nfs/dbraw/zinc/70/48/28/373704828.db2.gz FJYCLQRZJURKBZ-VIFPVBQESA-N 1 2 294.377 -1.705 20 0 CAADLO C[C@@H]1C[N@@H+](CCNC(=O)Cn2ncn(C)c2=O)CCO1 ZINC000537609411 373720749 /nfs/dbraw/zinc/72/07/49/373720749.db2.gz VCUSQPFJAFZYGQ-SNVBAGLBSA-N 1 2 283.332 -1.581 20 0 CAADLO Cc1nnc(CC(=O)N(CCO)CC[NH+]2CCOCC2)[nH]1 ZINC000612672660 373706482 /nfs/dbraw/zinc/70/64/82/373706482.db2.gz FLEGRPAUWXRJFN-UHFFFAOYSA-N 1 2 297.359 -1.191 20 0 CAADLO C[C@H](NC(=O)c1nc2n(n1)CCCN2)[C@H]1C[N@H+](C)CCO1 ZINC000612670546 373706643 /nfs/dbraw/zinc/70/66/43/373706643.db2.gz MKMPQYXOORICLT-VHSXEESVSA-N 1 2 294.359 -1.200 20 0 CAADLO C[C@H](NC(=O)c1nc2n(n1)CCCN2)[C@H]1C[N@@H+](C)CCO1 ZINC000612670546 373706655 /nfs/dbraw/zinc/70/66/55/373706655.db2.gz MKMPQYXOORICLT-VHSXEESVSA-N 1 2 294.359 -1.200 20 0 CAADLO O=C([C@H](O)C1CC1)N(CCO)CC[NH+]1CCOCC1 ZINC000612676616 373707268 /nfs/dbraw/zinc/70/72/68/373707268.db2.gz ZMDGMHVNIQWBGS-GFCCVEGCSA-N 1 2 272.345 -1.090 20 0 CAADLO CCC[C@@H](C(=O)N[C@@H]1CS(=O)(=O)C[C@H]1O)[NH+](C)C ZINC000575001128 373774021 /nfs/dbraw/zinc/77/40/21/373774021.db2.gz YAQHYBPPFOHZCQ-KXUCPTDWSA-N 1 2 278.374 -1.009 20 0 CAADLO C[C@H](C(=O)NCC[NH+]1CCOCC1)N1C(=O)CCC1=O ZINC000058503842 373728770 /nfs/dbraw/zinc/72/87/70/373728770.db2.gz OKNXVTXORJJUOF-SNVBAGLBSA-N 1 2 283.328 -1.028 20 0 CAADLO COC(=O)CNC(=O)C[N@@H+]1CC[C@@H](C)C[C@@H]1C(N)=O ZINC000426212867 373728806 /nfs/dbraw/zinc/72/88/06/373728806.db2.gz AIRDDJVJYLAEMH-RKDXNWHRSA-N 1 2 271.317 -1.139 20 0 CAADLO COC(=O)CNC(=O)C[N@H+]1CC[C@@H](C)C[C@@H]1C(N)=O ZINC000426212867 373728814 /nfs/dbraw/zinc/72/88/14/373728814.db2.gz AIRDDJVJYLAEMH-RKDXNWHRSA-N 1 2 271.317 -1.139 20 0 CAADLO CNC(=O)NCCNS(=O)(=O)C[C@H]1C[N@H+](C)CCO1 ZINC000632468859 373731228 /nfs/dbraw/zinc/73/12/28/373731228.db2.gz ICRLNEBMRCFTNP-SECBINFHSA-N 1 2 294.377 -1.835 20 0 CAADLO CNC(=O)NCCNS(=O)(=O)C[C@H]1C[N@@H+](C)CCO1 ZINC000632468859 373731233 /nfs/dbraw/zinc/73/12/33/373731233.db2.gz ICRLNEBMRCFTNP-SECBINFHSA-N 1 2 294.377 -1.835 20 0 CAADLO C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)CO ZINC000628576217 373734466 /nfs/dbraw/zinc/73/44/66/373734466.db2.gz RTXFHNVUHSNWDH-GFCCVEGCSA-N 1 2 258.318 -1.289 20 0 CAADLO C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)CO ZINC000628576217 373734478 /nfs/dbraw/zinc/73/44/78/373734478.db2.gz RTXFHNVUHSNWDH-GFCCVEGCSA-N 1 2 258.318 -1.289 20 0 CAADLO CC(=O)NCC(=O)NC[C@@]1(CO)COCC2(CCC2)[N@H+]1C ZINC000628578787 373734631 /nfs/dbraw/zinc/73/46/31/373734631.db2.gz LHOYGHBBMULOSQ-CQSZACIVSA-N 1 2 299.371 -1.146 20 0 CAADLO CC(=O)NCC(=O)NC[C@@]1(CO)COCC2(CCC2)[N@@H+]1C ZINC000628578787 373734641 /nfs/dbraw/zinc/73/46/41/373734641.db2.gz LHOYGHBBMULOSQ-CQSZACIVSA-N 1 2 299.371 -1.146 20 0 CAADLO C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)CO ZINC000628576220 373734714 /nfs/dbraw/zinc/73/47/14/373734714.db2.gz RTXFHNVUHSNWDH-LBPRGKRZSA-N 1 2 258.318 -1.289 20 0 CAADLO C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)CO ZINC000628576220 373734719 /nfs/dbraw/zinc/73/47/19/373734719.db2.gz RTXFHNVUHSNWDH-LBPRGKRZSA-N 1 2 258.318 -1.289 20 0 CAADLO C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)CC(N)=O ZINC000628576052 373735016 /nfs/dbraw/zinc/73/50/16/373735016.db2.gz FPHGHADNIGCSRW-CYBMUJFWSA-N 1 2 285.344 -1.406 20 0 CAADLO C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)CC(N)=O ZINC000628576052 373735024 /nfs/dbraw/zinc/73/50/24/373735024.db2.gz FPHGHADNIGCSRW-CYBMUJFWSA-N 1 2 285.344 -1.406 20 0 CAADLO CC[N@@H+]1CCOC[C@H]1C(=O)N1CC(NS(C)(=O)=O)C1 ZINC000628798392 373744667 /nfs/dbraw/zinc/74/46/67/373744667.db2.gz MMKXHGIWWAWEAQ-JTQLQIEISA-N 1 2 291.373 -1.533 20 0 CAADLO CC[N@H+]1CCOC[C@H]1C(=O)N1CC(NS(C)(=O)=O)C1 ZINC000628798392 373744671 /nfs/dbraw/zinc/74/46/71/373744671.db2.gz MMKXHGIWWAWEAQ-JTQLQIEISA-N 1 2 291.373 -1.533 20 0 CAADLO CNC(=O)CNC(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000433904935 373749171 /nfs/dbraw/zinc/74/91/71/373749171.db2.gz APDADQGTATZKLO-UHFFFAOYSA-N 1 2 270.333 -1.104 20 0 CAADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)C1(n2cnnn2)CC1 ZINC000628913072 373749917 /nfs/dbraw/zinc/74/99/17/373749917.db2.gz MGNXQANJDIMXMZ-VIFPVBQESA-N 1 2 266.305 -1.391 20 0 CAADLO C[N@H+]1CCOC[C@@H]1CNC(=O)C1(n2cnnn2)CC1 ZINC000628913072 373749923 /nfs/dbraw/zinc/74/99/23/373749923.db2.gz MGNXQANJDIMXMZ-VIFPVBQESA-N 1 2 266.305 -1.391 20 0 CAADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CC[C@@H]1C(N)=O ZINC000628914478 373750084 /nfs/dbraw/zinc/75/00/84/373750084.db2.gz MYVHLDVJESLZSG-GUBZILKMSA-N 1 2 255.318 -1.055 20 0 CAADLO C[N@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CC[C@@H]1C(N)=O ZINC000628914478 373750088 /nfs/dbraw/zinc/75/00/88/373750088.db2.gz MYVHLDVJESLZSG-GUBZILKMSA-N 1 2 255.318 -1.055 20 0 CAADLO CCS(=O)(=O)N[C@@H](C)C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000628912067 373750158 /nfs/dbraw/zinc/75/01/58/373750158.db2.gz AOQQBPWBQSXMJB-UWVGGRQHSA-N 1 2 293.389 -1.239 20 0 CAADLO CCS(=O)(=O)N[C@@H](C)C(=O)NC[C@H]1COCC[N@H+]1C ZINC000628912067 373750163 /nfs/dbraw/zinc/75/01/63/373750163.db2.gz AOQQBPWBQSXMJB-UWVGGRQHSA-N 1 2 293.389 -1.239 20 0 CAADLO CCS(=O)(=O)NCC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000628916146 373750304 /nfs/dbraw/zinc/75/03/04/373750304.db2.gz BUKFVZFELQEMHL-VIFPVBQESA-N 1 2 279.362 -1.628 20 0 CAADLO CCS(=O)(=O)NCC(=O)NC[C@H]1COCC[N@H+]1C ZINC000628916146 373750317 /nfs/dbraw/zinc/75/03/17/373750317.db2.gz BUKFVZFELQEMHL-VIFPVBQESA-N 1 2 279.362 -1.628 20 0 CAADLO CN1CC[C@H](C(=O)NC[C@@H]2COCC[N@@H+]2C)C1=O ZINC000628914661 373750500 /nfs/dbraw/zinc/75/05/00/373750500.db2.gz LDHUKFIWSDQKJD-NXEZZACHSA-N 1 2 255.318 -1.089 20 0 CAADLO CN1CC[C@H](C(=O)NC[C@@H]2COCC[N@H+]2C)C1=O ZINC000628914661 373750507 /nfs/dbraw/zinc/75/05/07/373750507.db2.gz LDHUKFIWSDQKJD-NXEZZACHSA-N 1 2 255.318 -1.089 20 0 CAADLO CN(C)S(=O)(=O)CCC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000628917071 373750556 /nfs/dbraw/zinc/75/05/56/373750556.db2.gz JCFFZIBXJYKMRM-SNVBAGLBSA-N 1 2 293.389 -1.285 20 0 CAADLO CN(C)S(=O)(=O)CCC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000628917071 373750563 /nfs/dbraw/zinc/75/05/63/373750563.db2.gz JCFFZIBXJYKMRM-SNVBAGLBSA-N 1 2 293.389 -1.285 20 0 CAADLO CN1C[C@H](C(=O)NC[C@H]2COCC[N@@H+]2C)NC1=O ZINC000628914105 373750680 /nfs/dbraw/zinc/75/06/80/373750680.db2.gz XUUHRSHRZNRARC-DTWKUNHWSA-N 1 2 256.306 -1.543 20 0 CAADLO CN1C[C@H](C(=O)NC[C@H]2COCC[N@H+]2C)NC1=O ZINC000628914105 373750687 /nfs/dbraw/zinc/75/06/87/373750687.db2.gz XUUHRSHRZNRARC-DTWKUNHWSA-N 1 2 256.306 -1.543 20 0 CAADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)CN1C(=O)NC(=O)C1(C)C ZINC000628916791 373750744 /nfs/dbraw/zinc/75/07/44/373750744.db2.gz KBRWKZCYXQFYEB-VIFPVBQESA-N 1 2 298.343 -1.236 20 0 CAADLO C[N@H+]1CCOC[C@@H]1CNC(=O)CN1C(=O)NC(=O)C1(C)C ZINC000628916791 373750754 /nfs/dbraw/zinc/75/07/54/373750754.db2.gz KBRWKZCYXQFYEB-VIFPVBQESA-N 1 2 298.343 -1.236 20 0 CAADLO COCCn1cc(C(=O)NC[C@@H]2COCC[N@@H+]2C)nn1 ZINC000628913504 373750780 /nfs/dbraw/zinc/75/07/80/373750780.db2.gz SCJQBCLZTKIRBW-SNVBAGLBSA-N 1 2 283.332 -1.015 20 0 CAADLO COCCn1cc(C(=O)NC[C@@H]2COCC[N@H+]2C)nn1 ZINC000628913504 373750785 /nfs/dbraw/zinc/75/07/85/373750785.db2.gz SCJQBCLZTKIRBW-SNVBAGLBSA-N 1 2 283.332 -1.015 20 0 CAADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1 ZINC000628912941 373750990 /nfs/dbraw/zinc/75/09/90/373750990.db2.gz ICKFULAXIVPWDY-IRCOFANPSA-N 1 2 286.328 -2.154 20 0 CAADLO C[N@H+]1CCOC[C@@H]1CNC(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1 ZINC000628912941 373750993 /nfs/dbraw/zinc/75/09/93/373750993.db2.gz ICKFULAXIVPWDY-IRCOFANPSA-N 1 2 286.328 -2.154 20 0 CAADLO Cc1nn(CC(=O)NC[C@H]2COCC[N@@H+]2C)c(=O)n1C ZINC000628912162 373751055 /nfs/dbraw/zinc/75/10/55/373751055.db2.gz FPAKNORXNUPTLK-JTQLQIEISA-N 1 2 283.332 -1.663 20 0 CAADLO Cc1nn(CC(=O)NC[C@H]2COCC[N@H+]2C)c(=O)n1C ZINC000628912162 373751063 /nfs/dbraw/zinc/75/10/63/373751063.db2.gz FPAKNORXNUPTLK-JTQLQIEISA-N 1 2 283.332 -1.663 20 0 CAADLO CC(C)C(=O)N[C@@H](CO)C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000628915815 373751076 /nfs/dbraw/zinc/75/10/76/373751076.db2.gz ZKDOXAVLMPBCJN-MNOVXSKESA-N 1 2 287.360 -1.434 20 0 CAADLO CC(C)C(=O)N[C@@H](CO)C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000628915815 373751082 /nfs/dbraw/zinc/75/10/82/373751082.db2.gz ZKDOXAVLMPBCJN-MNOVXSKESA-N 1 2 287.360 -1.434 20 0 CAADLO COCCn1cc(C(=O)NC[C@H]2COCC[N@@H+]2C)nn1 ZINC000628913502 373751135 /nfs/dbraw/zinc/75/11/35/373751135.db2.gz SCJQBCLZTKIRBW-JTQLQIEISA-N 1 2 283.332 -1.015 20 0 CAADLO COCCn1cc(C(=O)NC[C@H]2COCC[N@H+]2C)nn1 ZINC000628913502 373751140 /nfs/dbraw/zinc/75/11/40/373751140.db2.gz SCJQBCLZTKIRBW-JTQLQIEISA-N 1 2 283.332 -1.015 20 0 CAADLO CN1C(=O)CN(CC(=O)NC[C@H]2COCC[N@@H+]2C)C1=O ZINC000628911623 373751212 /nfs/dbraw/zinc/75/12/12/373751212.db2.gz JERPHHIRHCERRV-VIFPVBQESA-N 1 2 284.316 -1.673 20 0 CAADLO CN1C(=O)CN(CC(=O)NC[C@H]2COCC[N@H+]2C)C1=O ZINC000628911623 373751219 /nfs/dbraw/zinc/75/12/19/373751219.db2.gz JERPHHIRHCERRV-VIFPVBQESA-N 1 2 284.316 -1.673 20 0 CAADLO C[N@@H+]1CCOC[C@H]1CNC(=O)C1(n2cnnn2)CC1 ZINC000628913071 373751299 /nfs/dbraw/zinc/75/12/99/373751299.db2.gz MGNXQANJDIMXMZ-SECBINFHSA-N 1 2 266.305 -1.391 20 0 CAADLO C[N@H+]1CCOC[C@H]1CNC(=O)C1(n2cnnn2)CC1 ZINC000628913071 373751305 /nfs/dbraw/zinc/75/13/05/373751305.db2.gz MGNXQANJDIMXMZ-SECBINFHSA-N 1 2 266.305 -1.391 20 0 CAADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)CN1CCCS1(=O)=O ZINC000628917132 373751325 /nfs/dbraw/zinc/75/13/25/373751325.db2.gz AISSCGBIIMMIRU-JTQLQIEISA-N 1 2 291.373 -1.531 20 0 CAADLO C[N@H+]1CCOC[C@@H]1CNC(=O)CN1CCCS1(=O)=O ZINC000628917132 373751329 /nfs/dbraw/zinc/75/13/29/373751329.db2.gz AISSCGBIIMMIRU-JTQLQIEISA-N 1 2 291.373 -1.531 20 0 CAADLO Cn1cnn(CCC(=O)NC[C@H]2COCC[N@@H+]2C)c1=O ZINC000628914690 373751374 /nfs/dbraw/zinc/75/13/74/373751374.db2.gz OVTPFLOEKJSERY-JTQLQIEISA-N 1 2 283.332 -1.581 20 0 CAADLO Cn1cnn(CCC(=O)NC[C@H]2COCC[N@H+]2C)c1=O ZINC000628914690 373751379 /nfs/dbraw/zinc/75/13/79/373751379.db2.gz OVTPFLOEKJSERY-JTQLQIEISA-N 1 2 283.332 -1.581 20 0 CAADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC000628914851 373751410 /nfs/dbraw/zinc/75/14/10/373751410.db2.gz QUTSJGXFDVZMSC-YUMQZZPRSA-N 1 2 270.289 -1.969 20 0 CAADLO C[N@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC000628914851 373751412 /nfs/dbraw/zinc/75/14/12/373751412.db2.gz QUTSJGXFDVZMSC-YUMQZZPRSA-N 1 2 270.289 -1.969 20 0 CAADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CC[C@H]1C(N)=O ZINC000628914477 373751435 /nfs/dbraw/zinc/75/14/35/373751435.db2.gz MYVHLDVJESLZSG-AEJSXWLSSA-N 1 2 255.318 -1.055 20 0 CAADLO C[N@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CC[C@H]1C(N)=O ZINC000628914477 373751437 /nfs/dbraw/zinc/75/14/37/373751437.db2.gz MYVHLDVJESLZSG-AEJSXWLSSA-N 1 2 255.318 -1.055 20 0 CAADLO C[C@H](CC(=O)NC[C@@H]1COCC[N@@H+]1C)NC(N)=O ZINC000628912276 373751486 /nfs/dbraw/zinc/75/14/86/373751486.db2.gz HEZSVVJCDXLEHI-RKDXNWHRSA-N 1 2 258.322 -1.120 20 0 CAADLO C[C@H](CC(=O)NC[C@@H]1COCC[N@H+]1C)NC(N)=O ZINC000628912276 373751490 /nfs/dbraw/zinc/75/14/90/373751490.db2.gz HEZSVVJCDXLEHI-RKDXNWHRSA-N 1 2 258.322 -1.120 20 0 CAADLO CN1C(=O)CN(CC(=O)NC[C@@H]2COCC[N@@H+]2C)C1=O ZINC000628911622 373751590 /nfs/dbraw/zinc/75/15/90/373751590.db2.gz JERPHHIRHCERRV-SECBINFHSA-N 1 2 284.316 -1.673 20 0 CAADLO CN1C(=O)CN(CC(=O)NC[C@@H]2COCC[N@H+]2C)C1=O ZINC000628911622 373751593 /nfs/dbraw/zinc/75/15/93/373751593.db2.gz JERPHHIRHCERRV-SECBINFHSA-N 1 2 284.316 -1.673 20 0 CAADLO CN(C)S(=O)(=O)NCC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000628914668 373751613 /nfs/dbraw/zinc/75/16/13/373751613.db2.gz ORIKVGJTFVRWCG-SECBINFHSA-N 1 2 294.377 -2.171 20 0 CAADLO CN(C)S(=O)(=O)NCC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000628914668 373751615 /nfs/dbraw/zinc/75/16/15/373751615.db2.gz ORIKVGJTFVRWCG-SECBINFHSA-N 1 2 294.377 -2.171 20 0 CAADLO COCC(=O)N(C)CC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000628913980 373751637 /nfs/dbraw/zinc/75/16/37/373751637.db2.gz BTJOTHSLVUUVMJ-SNVBAGLBSA-N 1 2 273.333 -1.462 20 0 CAADLO COCC(=O)N(C)CC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000628913980 373751641 /nfs/dbraw/zinc/75/16/41/373751641.db2.gz BTJOTHSLVUUVMJ-SNVBAGLBSA-N 1 2 273.333 -1.462 20 0 CAADLO CN1C(=O)C(=O)N(CC(=O)NC[C@H]2COCC[N@@H+]2C)C1=O ZINC000628916831 373751675 /nfs/dbraw/zinc/75/16/75/373751675.db2.gz KUNUSIPBTMAHNQ-QMMMGPOBSA-N 1 2 298.299 -2.146 20 0 CAADLO CN1C(=O)C(=O)N(CC(=O)NC[C@H]2COCC[N@H+]2C)C1=O ZINC000628916831 373751677 /nfs/dbraw/zinc/75/16/77/373751677.db2.gz KUNUSIPBTMAHNQ-QMMMGPOBSA-N 1 2 298.299 -2.146 20 0 CAADLO CN(C)S(=O)(=O)NCC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000628914676 373751764 /nfs/dbraw/zinc/75/17/64/373751764.db2.gz ORIKVGJTFVRWCG-VIFPVBQESA-N 1 2 294.377 -2.171 20 0 CAADLO CN(C)S(=O)(=O)NCC(=O)NC[C@H]1COCC[N@H+]1C ZINC000628914676 373751768 /nfs/dbraw/zinc/75/17/68/373751768.db2.gz ORIKVGJTFVRWCG-VIFPVBQESA-N 1 2 294.377 -2.171 20 0 CAADLO CN(CC(=O)NC[C@H]1COCC[N@@H+]1C)S(C)(=O)=O ZINC000628921638 373752698 /nfs/dbraw/zinc/75/26/98/373752698.db2.gz JCTOECQAXUMOLT-VIFPVBQESA-N 1 2 279.362 -1.675 20 0 CAADLO CN(CC(=O)NC[C@H]1COCC[N@H+]1C)S(C)(=O)=O ZINC000628921638 373752708 /nfs/dbraw/zinc/75/27/08/373752708.db2.gz JCTOECQAXUMOLT-VIFPVBQESA-N 1 2 279.362 -1.675 20 0 CAADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)CN1CSCC1=O ZINC000628924968 373752730 /nfs/dbraw/zinc/75/27/30/373752730.db2.gz HXFGUYBHLWPWMA-VIFPVBQESA-N 1 2 273.358 -1.034 20 0 CAADLO C[N@H+]1CCOC[C@@H]1CNC(=O)CN1CSCC1=O ZINC000628924968 373752740 /nfs/dbraw/zinc/75/27/40/373752740.db2.gz HXFGUYBHLWPWMA-VIFPVBQESA-N 1 2 273.358 -1.034 20 0 CAADLO C[C@H](O)[C@@H](NC(=O)C1CC1)C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000628920524 373752850 /nfs/dbraw/zinc/75/28/50/373752850.db2.gz XXMAFNJRCICKCN-ZMLRMANQSA-N 1 2 299.371 -1.291 20 0 CAADLO C[C@H](O)[C@@H](NC(=O)C1CC1)C(=O)NC[C@H]1COCC[N@H+]1C ZINC000628920524 373752858 /nfs/dbraw/zinc/75/28/58/373752858.db2.gz XXMAFNJRCICKCN-ZMLRMANQSA-N 1 2 299.371 -1.291 20 0 CAADLO C[N@@H+]1CCOC[C@H]1CNC(=O)CN1CCOCC1=O ZINC000628921072 373752940 /nfs/dbraw/zinc/75/29/40/373752940.db2.gz JNMLKMFVQNXVQC-SNVBAGLBSA-N 1 2 271.317 -1.708 20 0 CAADLO C[N@H+]1CCOC[C@H]1CNC(=O)CN1CCOCC1=O ZINC000628921072 373752951 /nfs/dbraw/zinc/75/29/51/373752951.db2.gz JNMLKMFVQNXVQC-SNVBAGLBSA-N 1 2 271.317 -1.708 20 0 CAADLO C[N@@H+]1CCOC[C@H]1CNC(=O)CN1C(=O)NC(C)(C)C1=O ZINC000628926614 373752994 /nfs/dbraw/zinc/75/29/94/373752994.db2.gz VADTUJAUNCPOSF-SECBINFHSA-N 1 2 298.343 -1.236 20 0 CAADLO C[N@H+]1CCOC[C@H]1CNC(=O)CN1C(=O)NC(C)(C)C1=O ZINC000628926614 373753002 /nfs/dbraw/zinc/75/30/02/373753002.db2.gz VADTUJAUNCPOSF-SECBINFHSA-N 1 2 298.343 -1.236 20 0 CAADLO CNS(=O)(=O)NCC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000628922649 373753021 /nfs/dbraw/zinc/75/30/21/373753021.db2.gz OEOQSZWBFNSTKG-QMMMGPOBSA-N 1 2 280.350 -2.513 20 0 CAADLO CNS(=O)(=O)NCC(=O)NC[C@H]1COCC[N@H+]1C ZINC000628922649 373753024 /nfs/dbraw/zinc/75/30/24/373753024.db2.gz OEOQSZWBFNSTKG-QMMMGPOBSA-N 1 2 280.350 -2.513 20 0 CAADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)CNC(=O)C1CC1 ZINC000628921632 373753172 /nfs/dbraw/zinc/75/31/72/373753172.db2.gz RGYKGIODDQGHNY-JTQLQIEISA-N 1 2 255.318 -1.041 20 0 CAADLO C[N@H+]1CCOC[C@@H]1CNC(=O)CNC(=O)C1CC1 ZINC000628921632 373753178 /nfs/dbraw/zinc/75/31/78/373753178.db2.gz RGYKGIODDQGHNY-JTQLQIEISA-N 1 2 255.318 -1.041 20 0 CAADLO C[N@@H+]1CCOC[C@H]1CNC(=O)CCCN1C(=O)CNC1=O ZINC000628927200 373753205 /nfs/dbraw/zinc/75/32/05/373753205.db2.gz XWOBDZDCZWWBOQ-SNVBAGLBSA-N 1 2 298.343 -1.235 20 0 CAADLO C[N@H+]1CCOC[C@H]1CNC(=O)CCCN1C(=O)CNC1=O ZINC000628927200 373753213 /nfs/dbraw/zinc/75/32/13/373753213.db2.gz XWOBDZDCZWWBOQ-SNVBAGLBSA-N 1 2 298.343 -1.235 20 0 CAADLO C[C@H](O)[C@@H](NC(=O)C1CC1)C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000628920522 373753255 /nfs/dbraw/zinc/75/32/55/373753255.db2.gz XXMAFNJRCICKCN-MVWJERBFSA-N 1 2 299.371 -1.291 20 0 CAADLO C[C@H](O)[C@@H](NC(=O)C1CC1)C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000628920522 373753260 /nfs/dbraw/zinc/75/32/60/373753260.db2.gz XXMAFNJRCICKCN-MVWJERBFSA-N 1 2 299.371 -1.291 20 0 CAADLO CN1NN=C2C1=NCC[C@H]2C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000628923708 373753383 /nfs/dbraw/zinc/75/33/83/373753383.db2.gz SSFWDXFABKYZBI-NXEZZACHSA-N 1 2 294.359 -1.342 20 0 CAADLO CN1NN=C2C1=NCC[C@H]2C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000628923708 373753389 /nfs/dbraw/zinc/75/33/89/373753389.db2.gz SSFWDXFABKYZBI-NXEZZACHSA-N 1 2 294.359 -1.342 20 0 CAADLO CN1NN=C2C1=NCC[C@@H]2C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000628923711 373753727 /nfs/dbraw/zinc/75/37/27/373753727.db2.gz SSFWDXFABKYZBI-ZJUUUORDSA-N 1 2 294.359 -1.342 20 0 CAADLO CN1NN=C2C1=NCC[C@@H]2C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000628923711 373753733 /nfs/dbraw/zinc/75/37/33/373753733.db2.gz SSFWDXFABKYZBI-ZJUUUORDSA-N 1 2 294.359 -1.342 20 0 CAADLO COCCN1C[C@@H](C(=O)NC[C@@H]2COCC[N@@H+]2C)CC1=O ZINC000628920698 373753835 /nfs/dbraw/zinc/75/38/35/373753835.db2.gz FECSLAWCMHWQIG-NWDGAFQWSA-N 1 2 299.371 -1.072 20 0 CAADLO COCCN1C[C@@H](C(=O)NC[C@@H]2COCC[N@H+]2C)CC1=O ZINC000628920698 373753843 /nfs/dbraw/zinc/75/38/43/373753843.db2.gz FECSLAWCMHWQIG-NWDGAFQWSA-N 1 2 299.371 -1.072 20 0 CAADLO CN(CC(=O)NC[C@@H]1COCC[N@@H+]1C)S(C)(=O)=O ZINC000628921637 373754067 /nfs/dbraw/zinc/75/40/67/373754067.db2.gz JCTOECQAXUMOLT-SECBINFHSA-N 1 2 279.362 -1.675 20 0 CAADLO CN(CC(=O)NC[C@@H]1COCC[N@H+]1C)S(C)(=O)=O ZINC000628921637 373754077 /nfs/dbraw/zinc/75/40/77/373754077.db2.gz JCTOECQAXUMOLT-SECBINFHSA-N 1 2 279.362 -1.675 20 0 CAADLO CN1CCOC[C@H]1C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000628923686 373754086 /nfs/dbraw/zinc/75/40/86/373754086.db2.gz SDATWMILOOBZSE-QWRGUYRKSA-N 1 2 257.334 -1.236 20 0 CAADLO CN1CCOC[C@H]1C(=O)NC[C@H]1COCC[N@H+]1C ZINC000628923686 373754091 /nfs/dbraw/zinc/75/40/91/373754091.db2.gz SDATWMILOOBZSE-QWRGUYRKSA-N 1 2 257.334 -1.236 20 0 CAADLO CN1C[C@@H](C(=O)NC[C@H]2COCC[N@@H+]2C)CC1=O ZINC000628920049 373754387 /nfs/dbraw/zinc/75/43/87/373754387.db2.gz AWAUEOUYCTUKKU-UWVGGRQHSA-N 1 2 255.318 -1.089 20 0 CAADLO CN1C[C@@H](C(=O)NC[C@H]2COCC[N@H+]2C)CC1=O ZINC000628920049 373754393 /nfs/dbraw/zinc/75/43/93/373754393.db2.gz AWAUEOUYCTUKKU-UWVGGRQHSA-N 1 2 255.318 -1.089 20 0 CAADLO CN1C[C@H](C(=O)NC[C@@H]2COCC[N@@H+]2C)CC1=O ZINC000628920048 373754554 /nfs/dbraw/zinc/75/45/54/373754554.db2.gz AWAUEOUYCTUKKU-NXEZZACHSA-N 1 2 255.318 -1.089 20 0 CAADLO CN1C[C@H](C(=O)NC[C@@H]2COCC[N@H+]2C)CC1=O ZINC000628920048 373754563 /nfs/dbraw/zinc/75/45/63/373754563.db2.gz AWAUEOUYCTUKKU-NXEZZACHSA-N 1 2 255.318 -1.089 20 0 CAADLO CN1CCOC[C@H]1C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000628923685 373754702 /nfs/dbraw/zinc/75/47/02/373754702.db2.gz SDATWMILOOBZSE-MNOVXSKESA-N 1 2 257.334 -1.236 20 0 CAADLO CN1CCOC[C@H]1C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000628923685 373754708 /nfs/dbraw/zinc/75/47/08/373754708.db2.gz SDATWMILOOBZSE-MNOVXSKESA-N 1 2 257.334 -1.236 20 0 CAADLO CCNC(=O)NC(=O)C[N@@H+]1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000434796005 373755617 /nfs/dbraw/zinc/75/56/17/373755617.db2.gz RZCBCAVFRCIHCC-LBPRGKRZSA-N 1 2 297.315 -1.494 20 0 CAADLO CCNC(=O)NC(=O)C[N@H+]1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000434796005 373755620 /nfs/dbraw/zinc/75/56/20/373755620.db2.gz RZCBCAVFRCIHCC-LBPRGKRZSA-N 1 2 297.315 -1.494 20 0 CAADLO C[N@@H+]1CCO[C@@H](CS(=O)(=O)NC/C=C\CO)C1 ZINC000632550262 373755780 /nfs/dbraw/zinc/75/57/80/373755780.db2.gz TWXOJJGYCMMGEF-MXQLGCADSA-N 1 2 264.347 -1.215 20 0 CAADLO C[N@H+]1CCO[C@@H](CS(=O)(=O)NC/C=C\CO)C1 ZINC000632550262 373755785 /nfs/dbraw/zinc/75/57/85/373755785.db2.gz TWXOJJGYCMMGEF-MXQLGCADSA-N 1 2 264.347 -1.215 20 0 CAADLO C[N@@H+]1CCO[C@H](CS(=O)(=O)NC/C=C\CO)C1 ZINC000632550265 373756078 /nfs/dbraw/zinc/75/60/78/373756078.db2.gz TWXOJJGYCMMGEF-ZMWSMAPVSA-N 1 2 264.347 -1.215 20 0 CAADLO C[N@H+]1CCO[C@H](CS(=O)(=O)NC/C=C\CO)C1 ZINC000632550265 373756083 /nfs/dbraw/zinc/75/60/83/373756083.db2.gz TWXOJJGYCMMGEF-ZMWSMAPVSA-N 1 2 264.347 -1.215 20 0 CAADLO C[N@@H+]1CCN(S(=O)(=O)C[C@@H]2CCOC2)[C@H](CO)C1 ZINC000632577642 373765553 /nfs/dbraw/zinc/76/55/53/373765553.db2.gz FCZRXRONVNBTPM-MNOVXSKESA-N 1 2 278.374 -1.039 20 0 CAADLO C[N@H+]1CCN(S(=O)(=O)C[C@@H]2CCOC2)[C@H](CO)C1 ZINC000632577642 373765560 /nfs/dbraw/zinc/76/55/60/373765560.db2.gz FCZRXRONVNBTPM-MNOVXSKESA-N 1 2 278.374 -1.039 20 0 CAADLO CNC(=O)C(=O)NC[C@@]1(CO)COCC2(CCC2)[N@@H+]1C ZINC000629433734 373767002 /nfs/dbraw/zinc/76/70/02/373767002.db2.gz SXLQDSUUEHADGW-CYBMUJFWSA-N 1 2 285.344 -1.536 20 0 CAADLO CNC(=O)C(=O)NC[C@@]1(CO)COCC2(CCC2)[N@H+]1C ZINC000629433734 373767008 /nfs/dbraw/zinc/76/70/08/373767008.db2.gz SXLQDSUUEHADGW-CYBMUJFWSA-N 1 2 285.344 -1.536 20 0 CAADLO CC(=O)NC1C[NH+](C[C@H](O)CN2CCOCC2)C1 ZINC000191728147 373769295 /nfs/dbraw/zinc/76/92/95/373769295.db2.gz YZJBFDKNHRSCAO-GFCCVEGCSA-N 1 2 257.334 -1.500 20 0 CAADLO CN1CCN(S(=O)(=O)CCn2cc[nH+]c2)CC1=O ZINC000641346694 373802482 /nfs/dbraw/zinc/80/24/82/373802482.db2.gz CKZNEPKYJHTRNW-UHFFFAOYSA-N 1 2 272.330 -1.013 20 0 CAADLO O=S(=O)(CCn1cc[nH+]c1)NC[C@H]1CN2CCN1CC2 ZINC000641390097 373804166 /nfs/dbraw/zinc/80/41/66/373804166.db2.gz IRGUQANSXHGLOC-LBPRGKRZSA-N 1 2 299.400 -1.198 20 0 CAADLO O=S(=O)(CCn1cc[nH+]c1)NC[C@@H]1CN2CCN1CC2 ZINC000641390094 373804425 /nfs/dbraw/zinc/80/44/25/373804425.db2.gz IRGUQANSXHGLOC-GFCCVEGCSA-N 1 2 299.400 -1.198 20 0 CAADLO NC(=O)c1nccnc1NC[C@@H]1C[NH+]2CCN1CC2 ZINC000641453513 373805817 /nfs/dbraw/zinc/80/58/17/373805817.db2.gz LHQLHYMXLLCAPO-SECBINFHSA-N 1 2 262.317 -1.013 20 0 CAADLO NC(=O)c1nccnc1NC[C@H]1C[NH+]2CCN1CC2 ZINC000641453514 373805954 /nfs/dbraw/zinc/80/59/54/373805954.db2.gz LHQLHYMXLLCAPO-VIFPVBQESA-N 1 2 262.317 -1.013 20 0 CAADLO O=C1C[C@@H](CNS(=O)(=O)CCn2cc[nH+]c2)CN1 ZINC000641531824 373807630 /nfs/dbraw/zinc/80/76/30/373807630.db2.gz DJHYUUMNVIEROU-SECBINFHSA-N 1 2 272.330 -1.061 20 0 CAADLO CNS(=O)(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000641530074 373807715 /nfs/dbraw/zinc/80/77/15/373807715.db2.gz JVTQTZLAPOHTTA-UHFFFAOYSA-N 1 2 293.389 -1.078 20 0 CAADLO COC[C@H](CS(=O)(=O)N1CC[N@H+](C)C[C@@H]1CO)OC ZINC000641621004 373809869 /nfs/dbraw/zinc/80/98/69/373809869.db2.gz KLXGRYSGUJXNGR-GHMZBOCLSA-N 1 2 296.389 -1.414 20 0 CAADLO COC[C@H](CS(=O)(=O)N1CC[N@@H+](C)C[C@@H]1CO)OC ZINC000641621004 373809873 /nfs/dbraw/zinc/80/98/73/373809873.db2.gz KLXGRYSGUJXNGR-GHMZBOCLSA-N 1 2 296.389 -1.414 20 0 CAADLO COC[C@@H](CS(=O)(=O)N1CC[N@H+](C)C[C@@H]1CO)OC ZINC000641621005 373810238 /nfs/dbraw/zinc/81/02/38/373810238.db2.gz KLXGRYSGUJXNGR-MNOVXSKESA-N 1 2 296.389 -1.414 20 0 CAADLO COC[C@@H](CS(=O)(=O)N1CC[N@@H+](C)C[C@@H]1CO)OC ZINC000641621005 373810243 /nfs/dbraw/zinc/81/02/43/373810243.db2.gz KLXGRYSGUJXNGR-MNOVXSKESA-N 1 2 296.389 -1.414 20 0 CAADLO Cc1nc(N(C)C)nc(N2CC3(C2)CC(=O)NCC[NH2+]3)n1 ZINC000641682369 373813082 /nfs/dbraw/zinc/81/30/82/373813082.db2.gz YOMIGVRSLBCGFX-UHFFFAOYSA-N 1 2 291.359 -1.086 20 0 CAADLO O=C1[C@@H]([N@@H+]2CCN3C(=O)C(=O)NC[C@@H]3C2)CCN1C1CC1 ZINC000152595546 373816186 /nfs/dbraw/zinc/81/61/86/373816186.db2.gz NDLGAHUNNJYTHM-MNOVXSKESA-N 1 2 292.339 -1.608 20 0 CAADLO O=C1[C@@H]([N@H+]2CCN3C(=O)C(=O)NC[C@@H]3C2)CCN1C1CC1 ZINC000152595546 373816194 /nfs/dbraw/zinc/81/61/94/373816194.db2.gz NDLGAHUNNJYTHM-MNOVXSKESA-N 1 2 292.339 -1.608 20 0 CAADLO C[C@@H](C(=O)N(C)C)[N@@H+]1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC000152682299 373816418 /nfs/dbraw/zinc/81/64/18/373816418.db2.gz JOAYFANCHUQTNG-DTWKUNHWSA-N 1 2 268.317 -1.894 20 0 CAADLO C[C@@H](C(=O)N(C)C)[N@H+]1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC000152682299 373816424 /nfs/dbraw/zinc/81/64/24/373816424.db2.gz JOAYFANCHUQTNG-DTWKUNHWSA-N 1 2 268.317 -1.894 20 0 CAADLO CC(C)N(C)C(=O)[C@H](C)[N@@H+]1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC000152619930 373816703 /nfs/dbraw/zinc/81/67/03/373816703.db2.gz OKUFPZWGRTYERM-WDEREUQCSA-N 1 2 296.371 -1.116 20 0 CAADLO CC(C)N(C)C(=O)[C@H](C)[N@H+]1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC000152619930 373816709 /nfs/dbraw/zinc/81/67/09/373816709.db2.gz OKUFPZWGRTYERM-WDEREUQCSA-N 1 2 296.371 -1.116 20 0 CAADLO CC[C@@H](C(N)=O)[N@@H+]1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC000152662859 373816725 /nfs/dbraw/zinc/81/67/25/373816725.db2.gz JFPHOEDCZMEHAH-SFYZADRCSA-N 1 2 254.290 -2.107 20 0 CAADLO CC[C@@H](C(N)=O)[N@H+]1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC000152662859 373816733 /nfs/dbraw/zinc/81/67/33/373816733.db2.gz JFPHOEDCZMEHAH-SFYZADRCSA-N 1 2 254.290 -2.107 20 0 CAADLO CC(C)N(C)C(=O)[C@@H](C)[N@@H+]1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC000152619811 373817161 /nfs/dbraw/zinc/81/71/61/373817161.db2.gz OKUFPZWGRTYERM-GHMZBOCLSA-N 1 2 296.371 -1.116 20 0 CAADLO CC(C)N(C)C(=O)[C@@H](C)[N@H+]1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC000152619811 373817167 /nfs/dbraw/zinc/81/71/67/373817167.db2.gz OKUFPZWGRTYERM-GHMZBOCLSA-N 1 2 296.371 -1.116 20 0 CAADLO CNS(=O)(=O)C[C@H]1CCC[N@@H+]1[C@H](C)C(=O)NC(N)=O ZINC000494713305 373818099 /nfs/dbraw/zinc/81/80/99/373818099.db2.gz XJPSJFRWYVPMQG-HTQZYQBOSA-N 1 2 292.361 -1.417 20 0 CAADLO CNS(=O)(=O)C[C@H]1CCC[N@H+]1[C@H](C)C(=O)NC(N)=O ZINC000494713305 373818109 /nfs/dbraw/zinc/81/81/09/373818109.db2.gz XJPSJFRWYVPMQG-HTQZYQBOSA-N 1 2 292.361 -1.417 20 0 CAADLO CN1C(=O)C[C@H]([N@@H+]2CCN3C(=O)OC[C@@H]3C2)C1=O ZINC000493538295 373818439 /nfs/dbraw/zinc/81/84/39/373818439.db2.gz IGIWFUABONPRGH-YUMQZZPRSA-N 1 2 253.258 -1.120 20 0 CAADLO CN1C(=O)C[C@H]([N@H+]2CCN3C(=O)OC[C@@H]3C2)C1=O ZINC000493538295 373818447 /nfs/dbraw/zinc/81/84/47/373818447.db2.gz IGIWFUABONPRGH-YUMQZZPRSA-N 1 2 253.258 -1.120 20 0 CAADLO CN1C(=O)C[C@H]([N@@H+]2CCN3C(=O)OC[C@H]3C2)C1=O ZINC000493538294 373819227 /nfs/dbraw/zinc/81/92/27/373819227.db2.gz IGIWFUABONPRGH-SFYZADRCSA-N 1 2 253.258 -1.120 20 0 CAADLO CN1C(=O)C[C@H]([N@H+]2CCN3C(=O)OC[C@H]3C2)C1=O ZINC000493538294 373819233 /nfs/dbraw/zinc/81/92/33/373819233.db2.gz IGIWFUABONPRGH-SFYZADRCSA-N 1 2 253.258 -1.120 20 0 CAADLO CCn1nncc1C[NH2+]C1CN(S(=O)(=O)N(C)C)C1 ZINC000623794259 373826191 /nfs/dbraw/zinc/82/61/91/373826191.db2.gz NWYWGVOXTULKNX-UHFFFAOYSA-N 1 2 288.377 -1.122 20 0 CAADLO C[N@@H+]1CCOC[C@H]1CNC(=O)NCCN1C(=O)CCC1=O ZINC000623611445 373827540 /nfs/dbraw/zinc/82/75/40/373827540.db2.gz OVKNBMOEWQKLFJ-SNVBAGLBSA-N 1 2 298.343 -1.235 20 0 CAADLO C[N@H+]1CCOC[C@H]1CNC(=O)NCCN1C(=O)CCC1=O ZINC000623611445 373827542 /nfs/dbraw/zinc/82/75/42/373827542.db2.gz OVKNBMOEWQKLFJ-SNVBAGLBSA-N 1 2 298.343 -1.235 20 0 CAADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)NCCN1C(=O)CCC1=O ZINC000623611444 373828091 /nfs/dbraw/zinc/82/80/91/373828091.db2.gz OVKNBMOEWQKLFJ-JTQLQIEISA-N 1 2 298.343 -1.235 20 0 CAADLO C[N@H+]1CCOC[C@@H]1CNC(=O)NCCN1C(=O)CCC1=O ZINC000623611444 373828099 /nfs/dbraw/zinc/82/80/99/373828099.db2.gz OVKNBMOEWQKLFJ-JTQLQIEISA-N 1 2 298.343 -1.235 20 0 CAADLO CN1C[C@@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C(=O)N1 ZINC000613254132 373793001 /nfs/dbraw/zinc/79/30/01/373793001.db2.gz OVNRFOBBQVNRGC-PSASIEDQSA-N 1 2 263.301 -1.093 20 0 CAADLO C[C@H](CN1CCOCC1)NC(=O)CN1CC[NH2+]CC1=O ZINC000165047174 373793964 /nfs/dbraw/zinc/79/39/64/373793964.db2.gz HXYRLCYJAZULAC-LLVKDONJSA-N 1 2 284.360 -1.745 20 0 CAADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H]1CN(C)NC1=O ZINC000613252670 373795951 /nfs/dbraw/zinc/79/59/51/373795951.db2.gz FWTSUBJXMLKKIZ-HLTSFMKQSA-N 1 2 263.301 -1.015 20 0 CAADLO CC(C)NC(=O)C[N@H+](C)CC(=O)N[C@@H]1COCC[C@H]1O ZINC000634460254 373798353 /nfs/dbraw/zinc/79/83/53/373798353.db2.gz AUDSDJCXLWGUTA-GHMZBOCLSA-N 1 2 287.360 -1.291 20 0 CAADLO CC(C)NC(=O)C[N@@H+](C)CC(=O)N[C@@H]1COCC[C@H]1O ZINC000634460254 373798362 /nfs/dbraw/zinc/79/83/62/373798362.db2.gz AUDSDJCXLWGUTA-GHMZBOCLSA-N 1 2 287.360 -1.291 20 0 CAADLO CN(C)C(=O)C[NH+]1CCN(c2nccnc2C(N)=O)CC1 ZINC000641264492 373802253 /nfs/dbraw/zinc/80/22/53/373802253.db2.gz YIEDTHROMQJXIZ-UHFFFAOYSA-N 1 2 292.343 -1.214 20 0 CAADLO O=C(N[C@H](CO)C[NH+]1CCOCC1)c1ncc[nH]1 ZINC000614414188 373878356 /nfs/dbraw/zinc/87/83/56/373878356.db2.gz UKBBSECYNMSWPJ-VIFPVBQESA-N 1 2 254.290 -1.167 20 0 CAADLO CN1CCC[C@H](NC(=O)CN2CC[NH2+]CC2=O)C1=O ZINC000567500274 373902887 /nfs/dbraw/zinc/90/28/87/373902887.db2.gz UUAUKNBXDLZDEJ-VIFPVBQESA-N 1 2 268.317 -1.845 20 0 CAADLO O=C(Cn1cccnc1=O)NC[C@H]1CN2CC[N@@H+]1CCC2 ZINC000614513234 373881226 /nfs/dbraw/zinc/88/12/26/373881226.db2.gz TWSQSBZVOWSTCB-LBPRGKRZSA-N 1 2 291.355 -1.251 20 0 CAADLO O=C(Cn1cccnc1=O)NC[C@H]1CN2CC[N@H+]1CCC2 ZINC000614513234 373881229 /nfs/dbraw/zinc/88/12/29/373881229.db2.gz TWSQSBZVOWSTCB-LBPRGKRZSA-N 1 2 291.355 -1.251 20 0 CAADLO CNC(=O)NCCC(=O)NC[C@@H]1CN2CC[N@@H+]1CCC2 ZINC000614502572 373882361 /nfs/dbraw/zinc/88/23/61/373882361.db2.gz CBUDPPWMZWXNAR-LLVKDONJSA-N 1 2 283.376 -1.188 20 0 CAADLO CNC(=O)NCCC(=O)NC[C@@H]1CN2CC[N@H+]1CCC2 ZINC000614502572 373882367 /nfs/dbraw/zinc/88/23/67/373882367.db2.gz CBUDPPWMZWXNAR-LLVKDONJSA-N 1 2 283.376 -1.188 20 0 CAADLO CC(=O)N1CC[NH+](CCNC(=O)C2(CO)COC2)CC1 ZINC000540481435 373903555 /nfs/dbraw/zinc/90/35/55/373903555.db2.gz PVWOJYBCEMREAM-UHFFFAOYSA-N 1 2 285.344 -1.724 20 0 CAADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)Cn1ncn(C)c1=O ZINC000538711929 373893873 /nfs/dbraw/zinc/89/38/73/373893873.db2.gz AYCDILCOEWMHTM-VIFPVBQESA-N 1 2 264.289 -1.017 20 0 CAADLO C[NH+](C)C[C@@H](CO)NC(=O)[C@@H]1CCCS(=O)(=O)C1 ZINC000614847207 373896543 /nfs/dbraw/zinc/89/65/43/373896543.db2.gz KKUOAXPSXWOKQN-ZJUUUORDSA-N 1 2 278.374 -1.150 20 0 CAADLO CC(C)S(=O)(=O)CC(=O)N[C@@H](CO)C[NH+](C)C ZINC000614854406 373899157 /nfs/dbraw/zinc/89/91/57/373899157.db2.gz OKDXGPIPPUOSGB-SECBINFHSA-N 1 2 266.363 -1.152 20 0 CAADLO Cn1cnc(C(=O)NC[C@H]2COCC[N@@H+]2C)cc1=O ZINC000630087609 373843055 /nfs/dbraw/zinc/84/30/55/373843055.db2.gz DTIQDPPCZMMZRK-VIFPVBQESA-N 1 2 266.301 -1.159 20 0 CAADLO Cn1cnc(C(=O)NC[C@H]2COCC[N@H+]2C)cc1=O ZINC000630087609 373843060 /nfs/dbraw/zinc/84/30/60/373843060.db2.gz DTIQDPPCZMMZRK-VIFPVBQESA-N 1 2 266.301 -1.159 20 0 CAADLO Cn1cnc(C(=O)NC[C@@H]2COCC[N@@H+]2C)cc1=O ZINC000630087608 373843298 /nfs/dbraw/zinc/84/32/98/373843298.db2.gz DTIQDPPCZMMZRK-SECBINFHSA-N 1 2 266.301 -1.159 20 0 CAADLO Cn1cnc(C(=O)NC[C@@H]2COCC[N@H+]2C)cc1=O ZINC000630087608 373843304 /nfs/dbraw/zinc/84/33/04/373843304.db2.gz DTIQDPPCZMMZRK-SECBINFHSA-N 1 2 266.301 -1.159 20 0 CAADLO C[NH+](C)C[C@@H](CO)NC(=O)[C@H]1CCCS1(=O)=O ZINC000614858890 373901199 /nfs/dbraw/zinc/90/11/99/373901199.db2.gz LYKJVWYZYJQPRX-DTWKUNHWSA-N 1 2 264.347 -1.398 20 0 CAADLO C[NH+](C)C[C@@H](CO)NC(=O)[C@@H]1CCCS1(=O)=O ZINC000614858892 373901355 /nfs/dbraw/zinc/90/13/55/373901355.db2.gz LYKJVWYZYJQPRX-IUCAKERBSA-N 1 2 264.347 -1.398 20 0 CAADLO CN1C[C@@H](C(=O)NCC2([NH+]3CCOCC3)CC2)NC1=O ZINC000614026354 373866656 /nfs/dbraw/zinc/86/66/56/373866656.db2.gz COHUAJZKLHUQJH-JTQLQIEISA-N 1 2 282.344 -1.009 20 0 CAADLO CC[C@@H](C(=O)NC[C@@H](O)C(N)=O)[N@@H+]1CCO[C@H](CC)C1 ZINC000614077920 373870648 /nfs/dbraw/zinc/87/06/48/373870648.db2.gz VGRCYIKXNGZFJF-OUAUKWLOSA-N 1 2 287.360 -1.162 20 0 CAADLO CC[C@@H](C(=O)NC[C@@H](O)C(N)=O)[N@H+]1CCO[C@H](CC)C1 ZINC000614077920 373870650 /nfs/dbraw/zinc/87/06/50/373870650.db2.gz VGRCYIKXNGZFJF-OUAUKWLOSA-N 1 2 287.360 -1.162 20 0 CAADLO COCCN(CCO)S(=O)(=O)C[C@H]1C[N@H+](C)CCO1 ZINC000632006877 373870661 /nfs/dbraw/zinc/87/06/61/373870661.db2.gz RFCSDUXANZTXRX-LLVKDONJSA-N 1 2 296.389 -1.413 20 0 CAADLO COCCN(CCO)S(=O)(=O)C[C@H]1C[N@@H+](C)CCO1 ZINC000632006877 373870664 /nfs/dbraw/zinc/87/06/64/373870664.db2.gz RFCSDUXANZTXRX-LLVKDONJSA-N 1 2 296.389 -1.413 20 0 CAADLO COC[C@@H](OC)C(=O)N[C@H](CO)C[NH+]1CCOCC1 ZINC000614413225 373875503 /nfs/dbraw/zinc/87/55/03/373875503.db2.gz ONTJBLQHMFGAND-WDEREUQCSA-N 1 2 276.333 -1.543 20 0 CAADLO C[C@H](CC(N)=O)C(=O)N[C@H](CO)C[NH+]1CCOCC1 ZINC000614413343 373875555 /nfs/dbraw/zinc/87/55/55/373875555.db2.gz PYZGYJTYNHHBIX-ZJUUUORDSA-N 1 2 273.333 -1.693 20 0 CAADLO COC[C@@H](OC)C(=O)N[C@@H](CO)C[NH+]1CCOCC1 ZINC000614413217 373875619 /nfs/dbraw/zinc/87/56/19/373875619.db2.gz ONTJBLQHMFGAND-GHMZBOCLSA-N 1 2 276.333 -1.543 20 0 CAADLO Cc1nnc(CC(=O)N[C@H](CO)C[NH+]2CCOCC2)[nH]1 ZINC000614412526 373875778 /nfs/dbraw/zinc/87/57/78/373875778.db2.gz KTYMVILMNYLPKZ-JTQLQIEISA-N 1 2 283.332 -1.535 20 0 CAADLO CN1C[C@@H](C(=O)N[C@H](CO)C[NH+]2CCOCC2)NC1=O ZINC000614412176 373875864 /nfs/dbraw/zinc/87/58/64/373875864.db2.gz IDCGHWJCZHITNQ-UWVGGRQHSA-N 1 2 286.332 -2.181 20 0 CAADLO O=C(N[C@H](CO)C[NH+]1CCOCC1)[C@@]1(O)CCOC1 ZINC000614412129 373875908 /nfs/dbraw/zinc/87/59/08/373875908.db2.gz HRCQMAQHCUWTSE-CMPLNLGQSA-N 1 2 274.317 -2.053 20 0 CAADLO O=C(N[C@@H](CO)C[NH+]1CCOCC1)[C@@H](O)C1CCC1 ZINC000614412532 373875925 /nfs/dbraw/zinc/87/59/25/373875925.db2.gz KXPPKKDGPGTOLN-NEPJUHHUSA-N 1 2 272.345 -1.043 20 0 CAADLO CCNC(=O)CCC(=O)N[C@H](CO)C[NH+]1CCOCC1 ZINC000614410189 373875979 /nfs/dbraw/zinc/87/59/79/373875979.db2.gz PROJVQZCAYDKEA-NSHDSACASA-N 1 2 287.360 -1.288 20 0 CAADLO O=C(Cn1cc[nH+]c1)N[C@H](CO)CN1CCOCC1 ZINC000614409580 373876157 /nfs/dbraw/zinc/87/61/57/373876157.db2.gz IDNXUBXOXSEMRX-NSHDSACASA-N 1 2 268.317 -1.308 20 0 CAADLO CN1C(=O)CC[C@@H]1CC(=O)N[C@H](CO)C[NH+]1CCOCC1 ZINC000614411375 373876346 /nfs/dbraw/zinc/87/63/46/373876346.db2.gz CTXWPAVOUVPSLI-NWDGAFQWSA-N 1 2 299.371 -1.193 20 0 CAADLO O=C(N[C@@H](CO)C[NH+]1CCOCC1)C1(O)CCC1 ZINC000614410438 373876361 /nfs/dbraw/zinc/87/63/61/373876361.db2.gz XOQMKRKCMYKMLY-SNVBAGLBSA-N 1 2 258.318 -1.289 20 0 CAADLO O=C(Cn1cccnc1=O)N[C@H](CO)C[NH+]1CCOCC1 ZINC000614409329 373876614 /nfs/dbraw/zinc/87/66/14/373876614.db2.gz DLLIGHJVBXFJTG-NSHDSACASA-N 1 2 296.327 -1.947 20 0 CAADLO CC(C)[C@H](O)C(=O)N[C@H](CO)C[NH+]1CCOCC1 ZINC000614412546 373876623 /nfs/dbraw/zinc/87/66/23/373876623.db2.gz LCAJACSFOGYPSO-QWRGUYRKSA-N 1 2 260.334 -1.187 20 0 CAADLO O=C(N[C@@H](CO)C[NH+]1CCOCC1)[C@@]1(O)CCSC1 ZINC000614409559 373876655 /nfs/dbraw/zinc/87/66/55/373876655.db2.gz HIWSMTYEWLBROS-ZYHUDNBSSA-N 1 2 290.385 -1.336 20 0 CAADLO O=C(N[C@H](CO)C[NH+]1CCOCC1)[C@H]1[C@@H]2COC[C@@H]21 ZINC000614414495 373877776 /nfs/dbraw/zinc/87/77/76/373877776.db2.gz XVGKAIYQFQATEN-NNYUYHANSA-N 1 2 270.329 -1.312 20 0 CAADLO CC[C@@H](O)CC(=O)N[C@H](CO)C[NH+]1CCOCC1 ZINC000614414065 373877860 /nfs/dbraw/zinc/87/78/60/373877860.db2.gz SQUIDDGIKMOAFO-WDEREUQCSA-N 1 2 260.334 -1.043 20 0 CAADLO O=C(N[C@@H](CO)C[NH+]1CCOCC1)[C@H]1[C@@H]2COC[C@@H]21 ZINC000614414496 373877931 /nfs/dbraw/zinc/87/79/31/373877931.db2.gz XVGKAIYQFQATEN-WYUUTHIRSA-N 1 2 270.329 -1.312 20 0 CAADLO C[C@H](NC(=O)CN1CC[NH2+]CC1=O)c1nc[nH]n1 ZINC000566181309 373944205 /nfs/dbraw/zinc/94/42/05/373944205.db2.gz SKIKFXFQUBVRRY-ZETCQYMHSA-N 1 2 252.278 -1.586 20 0 CAADLO C[C@H](NC(=O)CN1CC[NH2+]CC1=O)c1nnc[nH]1 ZINC000566181309 373944219 /nfs/dbraw/zinc/94/42/19/373944219.db2.gz SKIKFXFQUBVRRY-ZETCQYMHSA-N 1 2 252.278 -1.586 20 0 CAADLO CC(C)NS(=O)(=O)[C@H]1CC[N@@H+]([C@@H]2CC(=O)NC2=O)C1 ZINC000566627656 373951208 /nfs/dbraw/zinc/95/12/08/373951208.db2.gz LESNSASBJDBQDY-DTWKUNHWSA-N 1 2 289.357 -1.196 20 0 CAADLO CC(C)NS(=O)(=O)[C@H]1CC[N@H+]([C@@H]2CC(=O)NC2=O)C1 ZINC000566627656 373951213 /nfs/dbraw/zinc/95/12/13/373951213.db2.gz LESNSASBJDBQDY-DTWKUNHWSA-N 1 2 289.357 -1.196 20 0 CAADLO NC(=O)[C@H]1CC[C@H]1C(=O)N1CC[NH+](CCO)CC1 ZINC000566981733 373953201 /nfs/dbraw/zinc/95/32/01/373953201.db2.gz OHTKKPGZQBIPJL-VHSXEESVSA-N 1 2 255.318 -1.366 20 0 CAADLO O=C(NCCN1CCNC(=O)C1)[C@H]1CCc2c[nH+]cn2C1 ZINC000567976663 373964974 /nfs/dbraw/zinc/96/49/74/373964974.db2.gz RNXUTFXHZHKSIM-NSHDSACASA-N 1 2 291.355 -1.007 20 0 CAADLO CNS(=O)(=O)[C@@H]1CC[N@H+](CC(=O)NC2CC2)C1 ZINC000155889359 373960046 /nfs/dbraw/zinc/96/00/46/373960046.db2.gz XJAAWEDYKLXEQP-SECBINFHSA-N 1 2 261.347 -1.112 20 0 CAADLO CNS(=O)(=O)[C@@H]1CC[N@@H+](CC(=O)NC2CC2)C1 ZINC000155889359 373960051 /nfs/dbraw/zinc/96/00/51/373960051.db2.gz XJAAWEDYKLXEQP-SECBINFHSA-N 1 2 261.347 -1.112 20 0 CAADLO COC[C@H](NC(=O)CN1CC[NH2+]CC1=O)C(=O)OC ZINC000567814881 373961076 /nfs/dbraw/zinc/96/10/76/373961076.db2.gz IFZGRELQUOEUEQ-QMMMGPOBSA-N 1 2 273.289 -2.278 20 0 CAADLO CC1(C)C[NH+](CC(=O)N(CC(N)=O)CC(N)=O)C1 ZINC000567749045 373961846 /nfs/dbraw/zinc/96/18/46/373961846.db2.gz BXVOAHSKGKQRNM-UHFFFAOYSA-N 1 2 256.306 -1.873 20 0 CAADLO CN1CCC[C@@H]([NH+]2CCN(C(=O)CO)CC2)C1=O ZINC000540911507 373904534 /nfs/dbraw/zinc/90/45/34/373904534.db2.gz LWOYKRBILKFDNE-SNVBAGLBSA-N 1 2 255.318 -1.256 20 0 CAADLO O=C(NCCN1CCNC(=O)C1)NCC[NH+]1CCOCC1 ZINC000540966520 373904650 /nfs/dbraw/zinc/90/46/50/373904650.db2.gz UEVDFYSNFHLNKD-UHFFFAOYSA-N 1 2 299.375 -1.950 20 0 CAADLO CN1CCC[C@@H]([N@@H+]2CCN3C(=O)NC(=O)[C@@H]3C2)C1=O ZINC000540912178 373904689 /nfs/dbraw/zinc/90/46/89/373904689.db2.gz ZVWCSBLCOOKZED-BDAKNGLRSA-N 1 2 266.301 -1.157 20 0 CAADLO CN1CCC[C@@H]([N@H+]2CCN3C(=O)NC(=O)[C@@H]3C2)C1=O ZINC000540912178 373904698 /nfs/dbraw/zinc/90/46/98/373904698.db2.gz ZVWCSBLCOOKZED-BDAKNGLRSA-N 1 2 266.301 -1.157 20 0 CAADLO CCn1c(N)c(C(=O)C[N@@H+]2CCC[C@@H]2CO)c(=O)[nH]c1=O ZINC000129694746 373906501 /nfs/dbraw/zinc/90/65/01/373906501.db2.gz PHCKKKKXQYVNPU-MRVPVSSYSA-N 1 2 296.327 -1.222 20 0 CAADLO CCn1c(N)c(C(=O)C[N@H+]2CCC[C@@H]2CO)c(=O)[nH]c1=O ZINC000129694746 373906510 /nfs/dbraw/zinc/90/65/10/373906510.db2.gz PHCKKKKXQYVNPU-MRVPVSSYSA-N 1 2 296.327 -1.222 20 0 CAADLO COC(=O)CNC(=O)[C@H](C)[N@@H+]1CCN2CCOC[C@@H]2C1 ZINC000541698668 373906549 /nfs/dbraw/zinc/90/65/49/373906549.db2.gz DEMACHJYFVRBNF-QWRGUYRKSA-N 1 2 285.344 -1.320 20 0 CAADLO COC(=O)CNC(=O)[C@H](C)[N@H+]1CCN2CCOC[C@@H]2C1 ZINC000541698668 373906556 /nfs/dbraw/zinc/90/65/56/373906556.db2.gz DEMACHJYFVRBNF-QWRGUYRKSA-N 1 2 285.344 -1.320 20 0 CAADLO CN(Cc1[nH+]ccn1C)C(=O)NCCN1CCNC(=O)C1 ZINC000540976741 373906999 /nfs/dbraw/zinc/90/69/99/373906999.db2.gz IKNQNASYYPQFIX-UHFFFAOYSA-N 1 2 294.359 -1.007 20 0 CAADLO NC(=O)c1cccc(C(=O)NC[C@@H]2C[NH+]3CCN2CC3)n1 ZINC000541991055 373908173 /nfs/dbraw/zinc/90/81/73/373908173.db2.gz YXDBSYFJAXSMLP-SNVBAGLBSA-N 1 2 289.339 -1.090 20 0 CAADLO CC(C)C[N@H+](CC(N)=O)CC(=O)N1CCNC1=O ZINC000073613839 373915116 /nfs/dbraw/zinc/91/51/16/373915116.db2.gz RCQGBDOSYOVLOL-UHFFFAOYSA-N 1 2 256.306 -1.019 20 0 CAADLO CC(C)C[N@@H+](CC(N)=O)CC(=O)N1CCNC1=O ZINC000073613839 373915123 /nfs/dbraw/zinc/91/51/23/373915123.db2.gz RCQGBDOSYOVLOL-UHFFFAOYSA-N 1 2 256.306 -1.019 20 0 CAADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)[C@H]1CCCNC1=O ZINC000631677603 373917583 /nfs/dbraw/zinc/91/75/83/373917583.db2.gz BTSJHKFDTIGYHO-NEPJUHHUSA-N 1 2 299.371 -1.336 20 0 CAADLO C[C@H](C[NH+]1CCOCC1)NC(=O)CCc1nn[nH]n1 ZINC000630743552 373922550 /nfs/dbraw/zinc/92/25/50/373922550.db2.gz PEHJVVYJPHGJBY-SECBINFHSA-N 1 2 268.321 -1.031 20 0 CAADLO C[C@H](C(=O)N1CC(C)(C(N)=O)C1)[NH+]1CCN(C)CC1 ZINC000565022863 373933265 /nfs/dbraw/zinc/93/32/65/373933265.db2.gz SPISEKYIUKNROI-SNVBAGLBSA-N 1 2 268.361 -1.044 20 0 CAADLO C[C@H]1CC[N@H+](CC(=O)N[C@@H]2CS(=O)(=O)C[C@H]2O)C1 ZINC000565202067 373936022 /nfs/dbraw/zinc/93/60/22/373936022.db2.gz ZDEQVLLSABOTPO-IVZWLZJFSA-N 1 2 276.358 -1.398 20 0 CAADLO C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2CS(=O)(=O)C[C@H]2O)C1 ZINC000565202067 373936032 /nfs/dbraw/zinc/93/60/32/373936032.db2.gz ZDEQVLLSABOTPO-IVZWLZJFSA-N 1 2 276.358 -1.398 20 0 CAADLO C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2CS(=O)(=O)C[C@H]2O)C1 ZINC000565202068 373936176 /nfs/dbraw/zinc/93/61/76/373936176.db2.gz ZDEQVLLSABOTPO-OPRDCNLKSA-N 1 2 276.358 -1.398 20 0 CAADLO C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2CS(=O)(=O)C[C@H]2O)C1 ZINC000565202068 373936187 /nfs/dbraw/zinc/93/61/87/373936187.db2.gz ZDEQVLLSABOTPO-OPRDCNLKSA-N 1 2 276.358 -1.398 20 0 CAADLO Cn1nncc1C(=O)NCC[NH+]1CC2(COC2)C1 ZINC001193137584 781964374 /nfs/dbraw/zinc/96/43/74/781964374.db2.gz LHYRQYRSQVPWPE-UHFFFAOYSA-N 1 2 251.290 -1.123 20 0 CAADLO CCn1c(N)c(C(=O)C[N@H+](CC)CCO)c(=O)[nH]c1=O ZINC000153149174 373938877 /nfs/dbraw/zinc/93/88/77/373938877.db2.gz CNQACCBAXLEOFN-UHFFFAOYSA-N 1 2 284.316 -1.364 20 0 CAADLO CCn1c(N)c(C(=O)C[N@@H+](CC)CCO)c(=O)[nH]c1=O ZINC000153149174 373938882 /nfs/dbraw/zinc/93/88/82/373938882.db2.gz CNQACCBAXLEOFN-UHFFFAOYSA-N 1 2 284.316 -1.364 20 0 CAADLO C[C@H](C[S@](C)=O)N(C)C(=O)CN1CC[NH2+]CC1=O ZINC000565891361 373940537 /nfs/dbraw/zinc/94/05/37/373940537.db2.gz BGYDPDVDPRHPNB-LZVRBXCZSA-N 1 2 275.374 -1.356 20 0 CAADLO COC(=O)C[C@H]1C(=O)NCC[N@H+]1CC[C@H]1CCNC1=O ZINC000565988859 373940631 /nfs/dbraw/zinc/94/06/31/373940631.db2.gz GZWQPTVYONXTTH-ZJUUUORDSA-N 1 2 283.328 -1.124 20 0 CAADLO COC(=O)C[C@H]1C(=O)NCC[N@@H+]1CC[C@H]1CCNC1=O ZINC000565988859 373940638 /nfs/dbraw/zinc/94/06/38/373940638.db2.gz GZWQPTVYONXTTH-ZJUUUORDSA-N 1 2 283.328 -1.124 20 0 CAADLO C[C@@H](C[S@](C)=O)N(C)C(=O)CN1CC[NH2+]CC1=O ZINC000565891363 373941996 /nfs/dbraw/zinc/94/19/96/373941996.db2.gz BGYDPDVDPRHPNB-YYSFKGJASA-N 1 2 275.374 -1.356 20 0 CAADLO COC(=O)[C@](C)(O)C[N@@H+]1CCSC[C@@H]1C(N)=O ZINC000579034321 373997768 /nfs/dbraw/zinc/99/77/68/373997768.db2.gz FWAHMDYDNPGDNQ-GMSGAONNSA-N 1 2 262.331 -1.187 20 0 CAADLO COC(=O)[C@](C)(O)C[N@H+]1CCSC[C@@H]1C(N)=O ZINC000579034321 373997772 /nfs/dbraw/zinc/99/77/72/373997772.db2.gz FWAHMDYDNPGDNQ-GMSGAONNSA-N 1 2 262.331 -1.187 20 0 CAADLO CNS(=O)(=O)[C@H]1CCC[N@@H+]([C@@H]2CC(=O)NC2=O)C1 ZINC000579137436 373998946 /nfs/dbraw/zinc/99/89/46/373998946.db2.gz BYDWQIDHDUKKKC-JGVFFNPUSA-N 1 2 275.330 -1.585 20 0 CAADLO CNS(=O)(=O)[C@H]1CCC[N@H+]([C@@H]2CC(=O)NC2=O)C1 ZINC000579137436 373998950 /nfs/dbraw/zinc/99/89/50/373998950.db2.gz BYDWQIDHDUKKKC-JGVFFNPUSA-N 1 2 275.330 -1.585 20 0 CAADLO CCc1nnc(CN2CC[NH+](CC(N)=O)CC2)[nH]1 ZINC000181771234 374002657 /nfs/dbraw/zinc/00/26/57/374002657.db2.gz XOTOZYLATMEVHC-UHFFFAOYSA-N 1 2 252.322 -1.030 20 0 CAADLO COCC(=O)NC1CN(C(=O)Cn2cc[nH+]c2)C1 ZINC000579541403 374002946 /nfs/dbraw/zinc/00/29/46/374002946.db2.gz PBJACSXFXBSODJ-UHFFFAOYSA-N 1 2 252.274 -1.144 20 0 CAADLO CC(C)NC(=O)C[N@H+](C)CC(=O)N1CC(O)(CO)C1 ZINC000615418841 374005321 /nfs/dbraw/zinc/00/53/21/374005321.db2.gz DCZPUPINZSHVDP-UHFFFAOYSA-N 1 2 273.333 -1.992 20 0 CAADLO CC(C)NC(=O)C[N@@H+](C)CC(=O)N1CC(O)(CO)C1 ZINC000615418841 374005325 /nfs/dbraw/zinc/00/53/25/374005325.db2.gz DCZPUPINZSHVDP-UHFFFAOYSA-N 1 2 273.333 -1.992 20 0 CAADLO CC(CO)(CO)NC(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000579839980 374005420 /nfs/dbraw/zinc/00/54/20/374005420.db2.gz GSSSOJVYFUBHOJ-UHFFFAOYSA-N 1 2 287.360 -1.106 20 0 CAADLO COc1ccc(N2C(=O)C[C@@H]([NH2+]CC(N)=O)C2=O)cn1 ZINC000580782180 374007846 /nfs/dbraw/zinc/00/78/46/374007846.db2.gz XRTFPDQULVOLJI-MRVPVSSYSA-N 1 2 278.268 -1.203 20 0 CAADLO CNC(=O)CCNS(=O)(=O)C[C@H]1C[N@H+](C)CCO1 ZINC000631772860 374009451 /nfs/dbraw/zinc/00/94/51/374009451.db2.gz AECBTMHURZXKFT-SECBINFHSA-N 1 2 279.362 -1.628 20 0 CAADLO CNC(=O)CCNS(=O)(=O)C[C@H]1C[N@@H+](C)CCO1 ZINC000631772860 374009458 /nfs/dbraw/zinc/00/94/58/374009458.db2.gz AECBTMHURZXKFT-SECBINFHSA-N 1 2 279.362 -1.628 20 0 CAADLO CN(CC[NH+]1CCOCC1)C(=O)CCc1nn[nH]n1 ZINC000630897949 374009985 /nfs/dbraw/zinc/00/99/85/374009985.db2.gz OXCMNBITEFPDSM-UHFFFAOYSA-N 1 2 268.321 -1.077 20 0 CAADLO C[C@@H]1C[N@H+](CCO)CCN1S(=O)(=O)N1CCC1 ZINC000580963922 374010537 /nfs/dbraw/zinc/01/05/37/374010537.db2.gz VEJFGCNNMBTINV-SNVBAGLBSA-N 1 2 263.363 -1.065 20 0 CAADLO C[C@@H]1C[N@@H+](CCO)CCN1S(=O)(=O)N1CCC1 ZINC000580963922 374010545 /nfs/dbraw/zinc/01/05/45/374010545.db2.gz VEJFGCNNMBTINV-SNVBAGLBSA-N 1 2 263.363 -1.065 20 0 CAADLO CN(C)[C@H](C(=O)N1CC(O)(CO)C1)c1c[nH+]cn1C ZINC000615434235 374012863 /nfs/dbraw/zinc/01/28/63/374012863.db2.gz RMHSMSIKESWUCG-JTQLQIEISA-N 1 2 268.317 -1.412 20 0 CAADLO CC(C)(C(=O)N1CC(O)(CO)C1)[NH+]1CCOCC1 ZINC000615433448 374013709 /nfs/dbraw/zinc/01/37/09/374013709.db2.gz GXLRFWTYKAIBGO-UHFFFAOYSA-N 1 2 258.318 -1.337 20 0 CAADLO CNC(=O)[C@H](C)NS(=O)(=O)C[C@H]1C[N@H+](C)CCO1 ZINC000631781207 374014881 /nfs/dbraw/zinc/01/48/81/374014881.db2.gz WTNDUQSQOWFOGS-DTWKUNHWSA-N 1 2 279.362 -1.629 20 0 CAADLO CNC(=O)[C@H](C)NS(=O)(=O)C[C@H]1C[N@@H+](C)CCO1 ZINC000631781207 374014890 /nfs/dbraw/zinc/01/48/90/374014890.db2.gz WTNDUQSQOWFOGS-DTWKUNHWSA-N 1 2 279.362 -1.629 20 0 CAADLO CC(=O)N1CCN(C(=O)C[N@@H+](CC(N)=O)C(C)C)CC1 ZINC000016419773 374015657 /nfs/dbraw/zinc/01/56/57/374015657.db2.gz SWVFJVCZFWWXHE-UHFFFAOYSA-N 1 2 284.360 -1.127 20 0 CAADLO CC(=O)N1CCN(C(=O)C[N@H+](CC(N)=O)C(C)C)CC1 ZINC000016419773 374015663 /nfs/dbraw/zinc/01/56/63/374015663.db2.gz SWVFJVCZFWWXHE-UHFFFAOYSA-N 1 2 284.360 -1.127 20 0 CAADLO C[C@H]1COCC[N@@H+]1CCNC(=O)CCc1nn[nH]n1 ZINC000630926859 374016747 /nfs/dbraw/zinc/01/67/47/374016747.db2.gz BYKITOUZICSKBQ-VIFPVBQESA-N 1 2 268.321 -1.031 20 0 CAADLO C[C@H]1COCC[N@H+]1CCNC(=O)CCc1nn[nH]n1 ZINC000630926859 374016753 /nfs/dbraw/zinc/01/67/53/374016753.db2.gz BYKITOUZICSKBQ-VIFPVBQESA-N 1 2 268.321 -1.031 20 0 CAADLO CCN(CC)C(=O)C[NH+]1CCN(CC(=O)NC(N)=O)CC1 ZINC000023268087 374018120 /nfs/dbraw/zinc/01/81/20/374018120.db2.gz BVECKPGMFFRYCU-UHFFFAOYSA-N 1 2 299.375 -1.333 20 0 CAADLO CNS(=O)(=O)NCC(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000568143627 373966141 /nfs/dbraw/zinc/96/61/41/373966141.db2.gz CAZVTZWAFQXIDF-SECBINFHSA-N 1 2 294.377 -2.123 20 0 CAADLO CNS(=O)(=O)NCC(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000568143627 373966146 /nfs/dbraw/zinc/96/61/46/373966146.db2.gz CAZVTZWAFQXIDF-SECBINFHSA-N 1 2 294.377 -2.123 20 0 CAADLO CNS(=O)(=O)NCC(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000568143628 373966460 /nfs/dbraw/zinc/96/64/60/373966460.db2.gz CAZVTZWAFQXIDF-VIFPVBQESA-N 1 2 294.377 -2.123 20 0 CAADLO CNS(=O)(=O)NCC(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000568143628 373966468 /nfs/dbraw/zinc/96/64/68/373966468.db2.gz CAZVTZWAFQXIDF-VIFPVBQESA-N 1 2 294.377 -2.123 20 0 CAADLO CCNS(=O)(=O)[C@H]1CC[N@@H+]([C@H]2CC(=O)NC2=O)C1 ZINC000568409081 373969484 /nfs/dbraw/zinc/96/94/84/373969484.db2.gz XWIOEUBPGQPMIY-YUMQZZPRSA-N 1 2 275.330 -1.585 20 0 CAADLO CCNS(=O)(=O)[C@H]1CC[N@H+]([C@H]2CC(=O)NC2=O)C1 ZINC000568409081 373969490 /nfs/dbraw/zinc/96/94/90/373969490.db2.gz XWIOEUBPGQPMIY-YUMQZZPRSA-N 1 2 275.330 -1.585 20 0 CAADLO NC(=O)NC(=O)CN1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000568644193 373972627 /nfs/dbraw/zinc/97/26/27/373972627.db2.gz BCZIAQDLEAKRQQ-SNVBAGLBSA-N 1 2 270.333 -1.022 20 0 CAADLO NC(=O)NC(=O)CN1CCC[C@H]([NH+]2CCOCC2)C1 ZINC000568644192 373972850 /nfs/dbraw/zinc/97/28/50/373972850.db2.gz BCZIAQDLEAKRQQ-JTQLQIEISA-N 1 2 270.333 -1.022 20 0 CAADLO Cn1cc(CCNC(=O)CN2CC[NH2+]CC2=O)cn1 ZINC000569098904 373975026 /nfs/dbraw/zinc/97/50/26/373975026.db2.gz BEOCGBWBUQXKES-UHFFFAOYSA-N 1 2 265.317 -1.489 20 0 CAADLO CS(=O)(=O)NC[C@H]1CCC[N@@H+]([C@H]2CC(=O)NC2=O)C1 ZINC000569257022 373975306 /nfs/dbraw/zinc/97/53/06/373975306.db2.gz VQOPECCGINMGBQ-BDAKNGLRSA-N 1 2 289.357 -1.337 20 0 CAADLO CS(=O)(=O)NC[C@H]1CCC[N@H+]([C@H]2CC(=O)NC2=O)C1 ZINC000569257022 373975317 /nfs/dbraw/zinc/97/53/17/373975317.db2.gz VQOPECCGINMGBQ-BDAKNGLRSA-N 1 2 289.357 -1.337 20 0 CAADLO CS(=O)(=O)NC[C@H]1CCC[N@@H+]([C@@H]2CC(=O)NC2=O)C1 ZINC000569257029 373975824 /nfs/dbraw/zinc/97/58/24/373975824.db2.gz VQOPECCGINMGBQ-RKDXNWHRSA-N 1 2 289.357 -1.337 20 0 CAADLO CS(=O)(=O)NC[C@H]1CCC[N@H+]([C@@H]2CC(=O)NC2=O)C1 ZINC000569257029 373975837 /nfs/dbraw/zinc/97/58/37/373975837.db2.gz VQOPECCGINMGBQ-RKDXNWHRSA-N 1 2 289.357 -1.337 20 0 CAADLO C[C@@H](C(=O)N(C)CC(=O)NC1CC1)[NH+]1CC(C)(C(N)=O)C1 ZINC000572757880 373976962 /nfs/dbraw/zinc/97/69/62/373976962.db2.gz ZBAKAZSUUGDNGB-VIFPVBQESA-N 1 2 296.371 -1.081 20 0 CAADLO C[C@H](C(=O)N(C)CC(=O)NC1CC1)[NH+]1CC(C)(C(N)=O)C1 ZINC000572757879 373977799 /nfs/dbraw/zinc/97/77/99/373977799.db2.gz ZBAKAZSUUGDNGB-SECBINFHSA-N 1 2 296.371 -1.081 20 0 CAADLO NC(=O)c1csc(NC(=O)CN2CC[NH2+]CC2=O)n1 ZINC000573363816 373979382 /nfs/dbraw/zinc/97/93/82/373979382.db2.gz GMEIWTAHHOKEHU-UHFFFAOYSA-N 1 2 283.313 -1.388 20 0 CAADLO CNS(=O)(=O)NCC(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000573009159 373980892 /nfs/dbraw/zinc/98/08/92/373980892.db2.gz TVCSHCFECJNYBO-UHFFFAOYSA-N 1 2 275.334 -1.185 20 0 CAADLO CN(C)c1noc(CNC[C@@H](O)C[NH+]2CCOCC2)n1 ZINC000573835377 373984284 /nfs/dbraw/zinc/98/42/84/373984284.db2.gz ZDFVCYQYKNSFAZ-SNVBAGLBSA-N 1 2 285.348 -1.082 20 0 CAADLO CN(C)c1noc(C[NH2+]C[C@@H](O)CN2CCOCC2)n1 ZINC000573835377 373984289 /nfs/dbraw/zinc/98/42/89/373984289.db2.gz ZDFVCYQYKNSFAZ-SNVBAGLBSA-N 1 2 285.348 -1.082 20 0 CAADLO Cc1c(CNC(=O)CN2CC[NH2+]CC2=O)cnn1C ZINC000577867526 373986672 /nfs/dbraw/zinc/98/66/72/373986672.db2.gz IDCDADLSTKHHDF-UHFFFAOYSA-N 1 2 265.317 -1.223 20 0 CAADLO CN1CCN(CCOCC[N@@H+]2CCN(C)C(=O)C2)CC1=O ZINC000178716921 373989279 /nfs/dbraw/zinc/98/92/79/373989279.db2.gz QZMRLBVHVHRGGY-UHFFFAOYSA-N 1 2 298.387 -1.449 20 0 CAADLO CN1CCN(CCOCC[N@H+]2CCN(C)C(=O)C2)CC1=O ZINC000178716921 373989297 /nfs/dbraw/zinc/98/92/97/373989297.db2.gz QZMRLBVHVHRGGY-UHFFFAOYSA-N 1 2 298.387 -1.449 20 0 CAADLO CCNC(=O)C[N@H+](C)Cc1cc(=O)n(C)c(=O)n1C ZINC000079601018 374083427 /nfs/dbraw/zinc/08/34/27/374083427.db2.gz LFSNPHOLAWZCPQ-UHFFFAOYSA-N 1 2 268.317 -1.348 20 0 CAADLO CCNC(=O)C[N@@H+](C)Cc1cc(=O)n(C)c(=O)n1C ZINC000079601018 374083434 /nfs/dbraw/zinc/08/34/34/374083434.db2.gz LFSNPHOLAWZCPQ-UHFFFAOYSA-N 1 2 268.317 -1.348 20 0 CAADLO CCOC(=O)N1CCN(C(=O)C[N@H+](C)CC(N)=O)CC1 ZINC000047629293 374030900 /nfs/dbraw/zinc/03/09/00/374030900.db2.gz VTKIIOIGBLOAGB-UHFFFAOYSA-N 1 2 286.332 -1.296 20 0 CAADLO CCOC(=O)N1CCN(C(=O)C[N@@H+](C)CC(N)=O)CC1 ZINC000047629293 374030905 /nfs/dbraw/zinc/03/09/05/374030905.db2.gz VTKIIOIGBLOAGB-UHFFFAOYSA-N 1 2 286.332 -1.296 20 0 CAADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)Cn1ccc(=O)[nH]c1=O ZINC000046887837 374031505 /nfs/dbraw/zinc/03/15/05/374031505.db2.gz MQQQTFPIPQOFCQ-JTQLQIEISA-N 1 2 296.327 -1.627 20 0 CAADLO CNC(=O)NC(=O)C[NH+](CC(=O)NC(=O)NC)CC1CC1 ZINC000047614255 374032178 /nfs/dbraw/zinc/03/21/78/374032178.db2.gz IOLFJKWAQKMEEP-UHFFFAOYSA-N 1 2 299.331 -1.390 20 0 CAADLO CCNC(=O)NC(=O)C[N@H+](C)CC(=O)NCCCOC ZINC000057627057 374034325 /nfs/dbraw/zinc/03/43/25/374034325.db2.gz BXRQXCBRBKYZAG-UHFFFAOYSA-N 1 2 288.348 -1.083 20 0 CAADLO CCNC(=O)NC(=O)C[N@@H+](C)CC(=O)NCCCOC ZINC000057627057 374034335 /nfs/dbraw/zinc/03/43/35/374034335.db2.gz BXRQXCBRBKYZAG-UHFFFAOYSA-N 1 2 288.348 -1.083 20 0 CAADLO NC(=O)c1ccc(C(=O)NC[C@H]2C[NH+]3CCN2CC3)[nH]1 ZINC000621927299 374080690 /nfs/dbraw/zinc/08/06/90/374080690.db2.gz LNLWBYYYMFRVLV-VIFPVBQESA-N 1 2 277.328 -1.157 20 0 CAADLO NC(=O)NC(=O)C[N@@H+]1CCCC[C@H]1C(=O)N1CCOCC1 ZINC000066893626 374037825 /nfs/dbraw/zinc/03/78/25/374037825.db2.gz ZJVDWMJFSIAYJW-JTQLQIEISA-N 1 2 298.343 -1.105 20 0 CAADLO NC(=O)NC(=O)C[N@H+]1CCCC[C@H]1C(=O)N1CCOCC1 ZINC000066893626 374037837 /nfs/dbraw/zinc/03/78/37/374037837.db2.gz ZJVDWMJFSIAYJW-JTQLQIEISA-N 1 2 298.343 -1.105 20 0 CAADLO COC(=O)CCNC(=O)C[N@@H+]1CCC[C@H]1C(N)=O ZINC000066864212 374037920 /nfs/dbraw/zinc/03/79/20/374037920.db2.gz UILALCIUUAJWNC-QMMMGPOBSA-N 1 2 257.290 -1.385 20 0 CAADLO COC(=O)CCNC(=O)C[N@H+]1CCC[C@H]1C(N)=O ZINC000066864212 374037932 /nfs/dbraw/zinc/03/79/32/374037932.db2.gz UILALCIUUAJWNC-QMMMGPOBSA-N 1 2 257.290 -1.385 20 0 CAADLO CCS(=O)(=O)NCC[N@H+](C)CC(=O)N1CCOCC1 ZINC000069219952 374039624 /nfs/dbraw/zinc/03/96/24/374039624.db2.gz KSPXDXYSJWEPCO-UHFFFAOYSA-N 1 2 293.389 -1.284 20 0 CAADLO CCS(=O)(=O)NCC[N@@H+](C)CC(=O)N1CCOCC1 ZINC000069219952 374039632 /nfs/dbraw/zinc/03/96/32/374039632.db2.gz KSPXDXYSJWEPCO-UHFFFAOYSA-N 1 2 293.389 -1.284 20 0 CAADLO CN1CC[C@H](NC(=O)NC[C@@H]2COCC[N@@H+]2C)C1=O ZINC000623644107 374043592 /nfs/dbraw/zinc/04/35/92/374043592.db2.gz MLWSNZXONUHDHD-ZJUUUORDSA-N 1 2 270.333 -1.153 20 0 CAADLO CN1CC[C@H](NC(=O)NC[C@@H]2COCC[N@H+]2C)C1=O ZINC000623644107 374043595 /nfs/dbraw/zinc/04/35/95/374043595.db2.gz MLWSNZXONUHDHD-ZJUUUORDSA-N 1 2 270.333 -1.153 20 0 CAADLO C[C@H]1C[N@H+](CCO)CCN1C(=O)c1nc2n(n1)CCCN2 ZINC000616155808 374045586 /nfs/dbraw/zinc/04/55/86/374045586.db2.gz LIDFSECWTWQAJT-JTQLQIEISA-N 1 2 294.359 -1.510 20 0 CAADLO C[C@H]1C[N@@H+](CCO)CCN1C(=O)c1nc2n(n1)CCCN2 ZINC000616155808 374045593 /nfs/dbraw/zinc/04/55/93/374045593.db2.gz LIDFSECWTWQAJT-JTQLQIEISA-N 1 2 294.359 -1.510 20 0 CAADLO NC(=O)c1ccc(C(=O)NC[C@@H]2C[NH+]3CCN2CC3)[nH]1 ZINC000621927298 374081501 /nfs/dbraw/zinc/08/15/01/374081501.db2.gz LNLWBYYYMFRVLV-SECBINFHSA-N 1 2 277.328 -1.157 20 0 CAADLO Cn1c(N)c(C(=O)C[N@@H+]2CCC[C@H](O)C2)c(=O)n(C)c1=O ZINC000298659675 374049998 /nfs/dbraw/zinc/04/99/98/374049998.db2.gz ITSPTDRKQLLCEB-QMMMGPOBSA-N 1 2 296.327 -1.694 20 0 CAADLO Cn1c(N)c(C(=O)C[N@H+]2CCC[C@H](O)C2)c(=O)n(C)c1=O ZINC000298659675 374050003 /nfs/dbraw/zinc/05/00/03/374050003.db2.gz ITSPTDRKQLLCEB-QMMMGPOBSA-N 1 2 296.327 -1.694 20 0 CAADLO COC(=O)CC1(C[N@@H+]2CCN3C(=O)C(=O)NC[C@H]3C2)CC1 ZINC000619648620 374057920 /nfs/dbraw/zinc/05/79/20/374057920.db2.gz VJIWJEJVWHABQC-JTQLQIEISA-N 1 2 295.339 -1.028 20 0 CAADLO COC(=O)CC1(C[N@H+]2CCN3C(=O)C(=O)NC[C@H]3C2)CC1 ZINC000619648620 374057925 /nfs/dbraw/zinc/05/79/25/374057925.db2.gz VJIWJEJVWHABQC-JTQLQIEISA-N 1 2 295.339 -1.028 20 0 CAADLO CNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000619784313 374059241 /nfs/dbraw/zinc/05/92/41/374059241.db2.gz MGQSJPHWOUBIQW-XHNCKOQMSA-N 1 2 257.290 -1.070 20 0 CAADLO CNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000619784313 374059249 /nfs/dbraw/zinc/05/92/49/374059249.db2.gz MGQSJPHWOUBIQW-XHNCKOQMSA-N 1 2 257.290 -1.070 20 0 CAADLO COC(=O)C1(C(=O)N[C@H](CO)C[NH+]2CCOCC2)CC1 ZINC000619871007 374059842 /nfs/dbraw/zinc/05/98/42/374059842.db2.gz BXWULBBNCUJPOP-JTQLQIEISA-N 1 2 286.328 -1.251 20 0 CAADLO CNS(=O)(=O)CC[N@@H+]1CCNC(=O)[C@H]1C(C)C ZINC000621257003 374066559 /nfs/dbraw/zinc/06/65/59/374066559.db2.gz CKGLRZXFTWIJHB-SECBINFHSA-N 1 2 263.363 -1.008 20 0 CAADLO CNS(=O)(=O)CC[N@H+]1CCNC(=O)[C@H]1C(C)C ZINC000621257003 374066565 /nfs/dbraw/zinc/06/65/65/374066565.db2.gz CKGLRZXFTWIJHB-SECBINFHSA-N 1 2 263.363 -1.008 20 0 CAADLO NC(=O)c1c[nH]c2nc[nH+]c(N3CCNC(=O)C3)c12 ZINC000621244533 374066605 /nfs/dbraw/zinc/06/66/05/374066605.db2.gz PZRGSMFXHOWMRH-UHFFFAOYSA-N 1 2 260.257 -1.007 20 0 CAADLO CNS(=O)(=O)CC[N@@H+]1CCNC(=O)[C@@H]1C(C)C ZINC000621257004 374066736 /nfs/dbraw/zinc/06/67/36/374066736.db2.gz CKGLRZXFTWIJHB-VIFPVBQESA-N 1 2 263.363 -1.008 20 0 CAADLO CNS(=O)(=O)CC[N@H+]1CCNC(=O)[C@@H]1C(C)C ZINC000621257004 374066743 /nfs/dbraw/zinc/06/67/43/374066743.db2.gz CKGLRZXFTWIJHB-VIFPVBQESA-N 1 2 263.363 -1.008 20 0 CAADLO CNS(=O)(=O)CC[N@@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000621291012 374067901 /nfs/dbraw/zinc/06/79/01/374067901.db2.gz CGXIUEVWNRDCSG-DTORHVGOSA-N 1 2 250.320 -1.365 20 0 CAADLO CNS(=O)(=O)CC[N@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000621291012 374067904 /nfs/dbraw/zinc/06/79/04/374067904.db2.gz CGXIUEVWNRDCSG-DTORHVGOSA-N 1 2 250.320 -1.365 20 0 CAADLO CNS(=O)(=O)CC[N@@H+]1CCO[C@H](COC)C1 ZINC000621259163 374068178 /nfs/dbraw/zinc/06/81/78/374068178.db2.gz MUIQBMARJDSNNG-VIFPVBQESA-N 1 2 252.336 -1.117 20 0 CAADLO CNS(=O)(=O)CC[N@H+]1CCO[C@H](COC)C1 ZINC000621259163 374068184 /nfs/dbraw/zinc/06/81/84/374068184.db2.gz MUIQBMARJDSNNG-VIFPVBQESA-N 1 2 252.336 -1.117 20 0 CAADLO CNS(=O)(=O)CC[N@@H+]1CCC[C@H]2C(=O)NC[C@H]21 ZINC000621290032 374068409 /nfs/dbraw/zinc/06/84/09/374068409.db2.gz YXFBDNOMMSRPQK-RKDXNWHRSA-N 1 2 261.347 -1.254 20 0 CAADLO CNS(=O)(=O)CC[N@H+]1CCC[C@H]2C(=O)NC[C@H]21 ZINC000621290032 374068414 /nfs/dbraw/zinc/06/84/14/374068414.db2.gz YXFBDNOMMSRPQK-RKDXNWHRSA-N 1 2 261.347 -1.254 20 0 CAADLO CNS(=O)(=O)CC[N@@H+]1CCC[C@H]1CS(N)(=O)=O ZINC000621266342 374068649 /nfs/dbraw/zinc/06/86/49/374068649.db2.gz HZJOLMKQINZFIN-QMMMGPOBSA-N 1 2 285.391 -1.712 20 0 CAADLO CNS(=O)(=O)CC[N@H+]1CCC[C@H]1CS(N)(=O)=O ZINC000621266342 374068654 /nfs/dbraw/zinc/06/86/54/374068654.db2.gz HZJOLMKQINZFIN-QMMMGPOBSA-N 1 2 285.391 -1.712 20 0 CAADLO CNS(=O)(=O)CC[N@@H+]1CCC[C@@H]1CS(N)(=O)=O ZINC000621266341 374068957 /nfs/dbraw/zinc/06/89/57/374068957.db2.gz HZJOLMKQINZFIN-MRVPVSSYSA-N 1 2 285.391 -1.712 20 0 CAADLO CNS(=O)(=O)CC[N@H+]1CCC[C@@H]1CS(N)(=O)=O ZINC000621266341 374068966 /nfs/dbraw/zinc/06/89/66/374068966.db2.gz HZJOLMKQINZFIN-MRVPVSSYSA-N 1 2 285.391 -1.712 20 0 CAADLO CNS(=O)(=O)CC[N@@H+]1CCC[C@H](S(=O)(=O)NC)C1 ZINC000621266978 374069413 /nfs/dbraw/zinc/06/94/13/374069413.db2.gz HZHDSNCMWHKONX-VIFPVBQESA-N 1 2 299.418 -1.451 20 0 CAADLO CNS(=O)(=O)CC[N@H+]1CCC[C@H](S(=O)(=O)NC)C1 ZINC000621266978 374069420 /nfs/dbraw/zinc/06/94/20/374069420.db2.gz HZHDSNCMWHKONX-VIFPVBQESA-N 1 2 299.418 -1.451 20 0 CAADLO CNS(=O)(=O)CC[N@@H+]1CCCN(CCOC)C(=O)C1 ZINC000621285742 374069468 /nfs/dbraw/zinc/06/94/68/374069468.db2.gz JWXDEENIKSMULR-UHFFFAOYSA-N 1 2 293.389 -1.284 20 0 CAADLO CNS(=O)(=O)CC[N@H+]1CCCN(CCOC)C(=O)C1 ZINC000621285742 374069475 /nfs/dbraw/zinc/06/94/75/374069475.db2.gz JWXDEENIKSMULR-UHFFFAOYSA-N 1 2 293.389 -1.284 20 0 CAADLO CNS(=O)(=O)CCN(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000621261833 374069944 /nfs/dbraw/zinc/06/99/44/374069944.db2.gz FWJJUBCPGMVVTI-LLVKDONJSA-N 1 2 295.405 -1.840 20 0 CAADLO CNS(=O)(=O)CC[N@H+](C)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000621297521 374071144 /nfs/dbraw/zinc/07/11/44/374071144.db2.gz RCESYQMVSDSDRI-VIFPVBQESA-N 1 2 299.418 -1.499 20 0 CAADLO CNS(=O)(=O)CC[N@@H+](C)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000621297521 374071153 /nfs/dbraw/zinc/07/11/53/374071153.db2.gz RCESYQMVSDSDRI-VIFPVBQESA-N 1 2 299.418 -1.499 20 0 CAADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)N[C@H]1C[C@@H](C(N)=O)C1 ZINC000624298335 374111296 /nfs/dbraw/zinc/11/12/96/374111296.db2.gz QRRHCDFBCMTEGQ-AEJSXWLSSA-N 1 2 270.333 -1.120 20 0 CAADLO C[N@H+]1CCOC[C@@H]1CNC(=O)N[C@H]1C[C@@H](C(N)=O)C1 ZINC000624298335 374111302 /nfs/dbraw/zinc/11/13/02/374111302.db2.gz QRRHCDFBCMTEGQ-AEJSXWLSSA-N 1 2 270.333 -1.120 20 0 CAADLO C[N@@H+]1CCOC[C@H]1CNC(=O)N[C@H]1C[C@@H](C(N)=O)C1 ZINC000624298336 374111515 /nfs/dbraw/zinc/11/15/15/374111515.db2.gz QRRHCDFBCMTEGQ-KXUCPTDWSA-N 1 2 270.333 -1.120 20 0 CAADLO C[N@H+]1CCOC[C@H]1CNC(=O)N[C@H]1C[C@@H](C(N)=O)C1 ZINC000624298336 374111526 /nfs/dbraw/zinc/11/15/26/374111526.db2.gz QRRHCDFBCMTEGQ-KXUCPTDWSA-N 1 2 270.333 -1.120 20 0 CAADLO COCCn1cc(C(=O)NCC[NH+]2CCOCC2)nn1 ZINC000622275624 374085104 /nfs/dbraw/zinc/08/51/04/374085104.db2.gz MKKFKYJFYVTYJL-UHFFFAOYSA-N 1 2 283.332 -1.014 20 0 CAADLO CN(C)[C@@H](C(=O)N1CCNC(=O)C1)c1c[nH+]cn1C ZINC000622278412 374085342 /nfs/dbraw/zinc/08/53/42/374085342.db2.gz VTETWJZPNINFJY-LLVKDONJSA-N 1 2 265.317 -1.019 20 0 CAADLO CNC(=O)C1(C(=O)NCC[NH+]2CCOCC2)CC1 ZINC000068510659 374085466 /nfs/dbraw/zinc/08/54/66/374085466.db2.gz MJLCQMNGSIPYSQ-UHFFFAOYSA-N 1 2 255.318 -1.039 20 0 CAADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)[C@@]1(O)CCOC1 ZINC000622418800 374086860 /nfs/dbraw/zinc/08/68/60/374086860.db2.gz UFQUGTQBPUXHEN-DGCLKSJQSA-N 1 2 288.344 -1.711 20 0 CAADLO C[C@H]1C[N@H+](CCNC(=O)[C@]2(O)CCOC2)CCO1 ZINC000622342005 374086883 /nfs/dbraw/zinc/08/68/83/374086883.db2.gz XKEMXBPGPWMEHO-JQWIXIFHSA-N 1 2 258.318 -1.025 20 0 CAADLO C[C@H]1C[N@@H+](CCNC(=O)[C@]2(O)CCOC2)CCO1 ZINC000622342005 374086891 /nfs/dbraw/zinc/08/68/91/374086891.db2.gz XKEMXBPGPWMEHO-JQWIXIFHSA-N 1 2 258.318 -1.025 20 0 CAADLO O=C(N1CC[NH+](CCn2cncn2)CC1)[C@@]1(O)CCOC1 ZINC000622385853 374087897 /nfs/dbraw/zinc/08/78/97/374087897.db2.gz FPNWRHCJLICBOG-CYBMUJFWSA-N 1 2 295.343 -1.426 20 0 CAADLO Cn1nnnc1CCNC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000623845019 374090723 /nfs/dbraw/zinc/09/07/23/374090723.db2.gz PSAKDBLUIWBYGA-VIFPVBQESA-N 1 2 283.336 -1.618 20 0 CAADLO Cn1nnnc1CCNC(=O)NC[C@H]1COCC[N@H+]1C ZINC000623845019 374090732 /nfs/dbraw/zinc/09/07/32/374090732.db2.gz PSAKDBLUIWBYGA-VIFPVBQESA-N 1 2 283.336 -1.618 20 0 CAADLO CN1C[C@H](NC(=O)NC[C@H]2COCC[N@@H+]2C)CC1=O ZINC000623722647 374091250 /nfs/dbraw/zinc/09/12/50/374091250.db2.gz SHNRUZSJRLLYTM-ZJUUUORDSA-N 1 2 270.333 -1.153 20 0 CAADLO CN1C[C@H](NC(=O)NC[C@H]2COCC[N@H+]2C)CC1=O ZINC000623722647 374091258 /nfs/dbraw/zinc/09/12/58/374091258.db2.gz SHNRUZSJRLLYTM-ZJUUUORDSA-N 1 2 270.333 -1.153 20 0 CAADLO CNS(=O)(=O)CCNC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000623918809 374094509 /nfs/dbraw/zinc/09/45/09/374094509.db2.gz BVOQAHJPNSMMSO-VIFPVBQESA-N 1 2 294.377 -1.835 20 0 CAADLO CNS(=O)(=O)CCNC(=O)NC[C@H]1COCC[N@H+]1C ZINC000623918809 374094516 /nfs/dbraw/zinc/09/45/16/374094516.db2.gz BVOQAHJPNSMMSO-VIFPVBQESA-N 1 2 294.377 -1.835 20 0 CAADLO Nc1nsc(N2CCN(c3nc(N)nc(N)[nH+]3)CC2)n1 ZINC000624026746 374101549 /nfs/dbraw/zinc/10/15/49/374101549.db2.gz SRCJXQCTWKQPEV-UHFFFAOYSA-N 1 2 294.348 -1.713 20 0 CAADLO CC(C)(CNc1nc(N)nc(N)[nH+]1)S(C)(=O)=O ZINC000624022099 374102461 /nfs/dbraw/zinc/10/24/61/374102461.db2.gz BTBLUXNZJSUQAT-UHFFFAOYSA-N 1 2 260.323 -1.646 20 0 CAADLO CN1C(=O)CC[C@@H](NC(=O)NC[C@H]2COCC[N@@H+]2C)C1=O ZINC000624247042 374107545 /nfs/dbraw/zinc/10/75/45/374107545.db2.gz OQSWMYPPZNWLAZ-VHSXEESVSA-N 1 2 298.343 -1.236 20 0 CAADLO CN1C(=O)CC[C@@H](NC(=O)NC[C@H]2COCC[N@H+]2C)C1=O ZINC000624247042 374107557 /nfs/dbraw/zinc/10/75/57/374107557.db2.gz OQSWMYPPZNWLAZ-VHSXEESVSA-N 1 2 298.343 -1.236 20 0 CAADLO CN1C(=O)CC[C@H](NC(=O)NC[C@@H]2COCC[N@@H+]2C)C1=O ZINC000624247043 374107612 /nfs/dbraw/zinc/10/76/12/374107612.db2.gz OQSWMYPPZNWLAZ-ZJUUUORDSA-N 1 2 298.343 -1.236 20 0 CAADLO CN1C(=O)CC[C@H](NC(=O)NC[C@@H]2COCC[N@H+]2C)C1=O ZINC000624247043 374107620 /nfs/dbraw/zinc/10/76/20/374107620.db2.gz OQSWMYPPZNWLAZ-ZJUUUORDSA-N 1 2 298.343 -1.236 20 0 CAADLO C[C@H](Nc1nc(N)nc(N)[nH+]1)C1(S(C)(=O)=O)CC1 ZINC000624213600 374107790 /nfs/dbraw/zinc/10/77/90/374107790.db2.gz QEUBHSRCWGIHHD-YFKPBYRVSA-N 1 2 272.334 -1.504 20 0 CAADLO CS(=O)(=O)C1(CNc2nc(N)nc(N)[nH+]2)CCCC1 ZINC000624216691 374108494 /nfs/dbraw/zinc/10/84/94/374108494.db2.gz NFDNPCRRIMVTQW-UHFFFAOYSA-N 1 2 286.361 -1.112 20 0 CAADLO CN1C(=O)CC[C@@H](NC(=O)NC[C@@H]2COCC[N@@H+]2C)C1=O ZINC000624247040 374108776 /nfs/dbraw/zinc/10/87/76/374108776.db2.gz OQSWMYPPZNWLAZ-NXEZZACHSA-N 1 2 298.343 -1.236 20 0 CAADLO CN1C(=O)CC[C@@H](NC(=O)NC[C@@H]2COCC[N@H+]2C)C1=O ZINC000624247040 374108781 /nfs/dbraw/zinc/10/87/81/374108781.db2.gz OQSWMYPPZNWLAZ-NXEZZACHSA-N 1 2 298.343 -1.236 20 0 CAADLO CC(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C[NH+]1CCOCC1 ZINC000632854828 374180369 /nfs/dbraw/zinc/18/03/69/374180369.db2.gz MCNBMNVGMPPEQH-OLZOCXBDSA-N 1 2 299.371 -1.193 20 0 CAADLO O=C(NC[C@H]1C[N@@H+]2CCN1CCC2)C1CS(=O)(=O)C1 ZINC000632890168 374180686 /nfs/dbraw/zinc/18/06/86/374180686.db2.gz CZSJNEPFJOAZRP-NSHDSACASA-N 1 2 287.385 -1.463 20 0 CAADLO O=C(NC[C@H]1C[N@H+]2CCN1CCC2)C1CS(=O)(=O)C1 ZINC000632890168 374180690 /nfs/dbraw/zinc/18/06/90/374180690.db2.gz CZSJNEPFJOAZRP-NSHDSACASA-N 1 2 287.385 -1.463 20 0 CAADLO O=C(N[C@H](CO)C[NH+]1CCCCC1)C1CS(=O)(=O)C1 ZINC000632998373 374182080 /nfs/dbraw/zinc/18/20/80/374182080.db2.gz NQSVOQHFUZAENM-NSHDSACASA-N 1 2 290.385 -1.006 20 0 CAADLO OC[C@H](C[NH+]1CCOCC1)N=c1ncnc2[nH][nH]cc1-2 ZINC000631307594 374146007 /nfs/dbraw/zinc/14/60/07/374146007.db2.gz SHOFHRKUGWWVMD-VIFPVBQESA-N 1 2 278.316 -1.169 20 0 CAADLO CN1CCN(c2cc(N[C@@H]3COC[C@@H]3O)[nH+]cn2)CC1=O ZINC000631430876 374146784 /nfs/dbraw/zinc/14/67/84/374146784.db2.gz JUDDCZKBBQLAQB-ZJUUUORDSA-N 1 2 293.327 -1.073 20 0 CAADLO CN1CCN(c2cc(N[C@@H]3COC[C@@H]3O)nc[nH+]2)CC1=O ZINC000631430876 374146789 /nfs/dbraw/zinc/14/67/89/374146789.db2.gz JUDDCZKBBQLAQB-ZJUUUORDSA-N 1 2 293.327 -1.073 20 0 CAADLO NS(=O)(=O)N1CC[NH+](CCc2cnccn2)CC1 ZINC000631518706 374147188 /nfs/dbraw/zinc/14/71/88/374147188.db2.gz ITVYQYUUWOCEGS-UHFFFAOYSA-N 1 2 271.346 -1.160 20 0 CAADLO C[N@@H+]1CCO[C@@H](CS(=O)(=O)N2CCNC(=O)C2)C1 ZINC000631650778 374148311 /nfs/dbraw/zinc/14/83/11/374148311.db2.gz GYHOBPRFAQCVJZ-SECBINFHSA-N 1 2 277.346 -1.921 20 0 CAADLO C[N@H+]1CCO[C@@H](CS(=O)(=O)N2CCNC(=O)C2)C1 ZINC000631650778 374148322 /nfs/dbraw/zinc/14/83/22/374148322.db2.gz GYHOBPRFAQCVJZ-SECBINFHSA-N 1 2 277.346 -1.921 20 0 CAADLO CCNC(=O)[C@H](C)NS(=O)(=O)C[C@H]1C[N@H+](C)CCO1 ZINC000631673623 374148538 /nfs/dbraw/zinc/14/85/38/374148538.db2.gz ITRLLYSIRHYAIE-VHSXEESVSA-N 1 2 293.389 -1.239 20 0 CAADLO CCNC(=O)[C@H](C)NS(=O)(=O)C[C@H]1C[N@@H+](C)CCO1 ZINC000631673623 374148542 /nfs/dbraw/zinc/14/85/42/374148542.db2.gz ITRLLYSIRHYAIE-VHSXEESVSA-N 1 2 293.389 -1.239 20 0 CAADLO CCNC(=O)CN(C)S(=O)(=O)C[C@@H]1C[N@H+](C)CCO1 ZINC000631770914 374148805 /nfs/dbraw/zinc/14/88/05/374148805.db2.gz AEOBIAYJFMNFAJ-JTQLQIEISA-N 1 2 293.389 -1.285 20 0 CAADLO CCNC(=O)CN(C)S(=O)(=O)C[C@@H]1C[N@@H+](C)CCO1 ZINC000631770914 374148813 /nfs/dbraw/zinc/14/88/13/374148813.db2.gz AEOBIAYJFMNFAJ-JTQLQIEISA-N 1 2 293.389 -1.285 20 0 CAADLO COCCNS(=O)(=O)C[C@H]1C[N@H+](C)CCO1 ZINC000631697037 374149783 /nfs/dbraw/zinc/14/97/83/374149783.db2.gz WLFZPBIVOGOMHD-SECBINFHSA-N 1 2 252.336 -1.117 20 0 CAADLO COCCNS(=O)(=O)C[C@H]1C[N@@H+](C)CCO1 ZINC000631697037 374149787 /nfs/dbraw/zinc/14/97/87/374149787.db2.gz WLFZPBIVOGOMHD-SECBINFHSA-N 1 2 252.336 -1.117 20 0 CAADLO COCCNS(=O)(=O)C[C@@H]1C[N@H+](C)CCO1 ZINC000631697038 374149857 /nfs/dbraw/zinc/14/98/57/374149857.db2.gz WLFZPBIVOGOMHD-VIFPVBQESA-N 1 2 252.336 -1.117 20 0 CAADLO COCCNS(=O)(=O)C[C@@H]1C[N@@H+](C)CCO1 ZINC000631697038 374149863 /nfs/dbraw/zinc/14/98/63/374149863.db2.gz WLFZPBIVOGOMHD-VIFPVBQESA-N 1 2 252.336 -1.117 20 0 CAADLO CN1C[C@@H](NS(=O)(=O)C[C@@H]2C[N@H+](C)CCO2)CC1=O ZINC000631871010 374151113 /nfs/dbraw/zinc/15/11/13/374151113.db2.gz FZVHEDURZBCVCM-UWVGGRQHSA-N 1 2 291.373 -1.533 20 0 CAADLO CN1C[C@@H](NS(=O)(=O)C[C@@H]2C[N@@H+](C)CCO2)CC1=O ZINC000631871010 374151119 /nfs/dbraw/zinc/15/11/19/374151119.db2.gz FZVHEDURZBCVCM-UWVGGRQHSA-N 1 2 291.373 -1.533 20 0 CAADLO C[N@@H+]1CCO[C@@H](CS(=O)(=O)N[C@H]2CCCNC2=O)C1 ZINC000631847760 374151538 /nfs/dbraw/zinc/15/15/38/374151538.db2.gz BNZUOKXPTQKHDD-ZJUUUORDSA-N 1 2 291.373 -1.485 20 0 CAADLO C[N@H+]1CCO[C@@H](CS(=O)(=O)N[C@H]2CCCNC2=O)C1 ZINC000631847760 374151543 /nfs/dbraw/zinc/15/15/43/374151543.db2.gz BNZUOKXPTQKHDD-ZJUUUORDSA-N 1 2 291.373 -1.485 20 0 CAADLO CN1CC[C@H](NS(=O)(=O)C[C@@H]2C[N@H+](C)CCO2)C1=O ZINC000631997535 374157940 /nfs/dbraw/zinc/15/79/40/374157940.db2.gz CNZPRPOUJNGOGA-UWVGGRQHSA-N 1 2 291.373 -1.533 20 0 CAADLO CN1CC[C@H](NS(=O)(=O)C[C@@H]2C[N@@H+](C)CCO2)C1=O ZINC000631997535 374157946 /nfs/dbraw/zinc/15/79/46/374157946.db2.gz CNZPRPOUJNGOGA-UWVGGRQHSA-N 1 2 291.373 -1.533 20 0 CAADLO C[N@@H+]1CCO[C@@H](CS(=O)(=O)NCCOCCO)C1 ZINC000631999367 374158839 /nfs/dbraw/zinc/15/88/39/374158839.db2.gz CCUUUJNIOUCNPA-SNVBAGLBSA-N 1 2 282.362 -1.755 20 0 CAADLO C[N@H+]1CCO[C@@H](CS(=O)(=O)NCCOCCO)C1 ZINC000631999367 374158845 /nfs/dbraw/zinc/15/88/45/374158845.db2.gz CCUUUJNIOUCNPA-SNVBAGLBSA-N 1 2 282.362 -1.755 20 0 CAADLO C[C@@H](CO)NS(=O)(=O)C[C@@H]1C[N@H+](C)CCO1 ZINC000632040239 374160465 /nfs/dbraw/zinc/16/04/65/374160465.db2.gz AKRGKHIYRFYLNC-IUCAKERBSA-N 1 2 252.336 -1.383 20 0 CAADLO C[C@@H](CO)NS(=O)(=O)C[C@@H]1C[N@@H+](C)CCO1 ZINC000632040239 374160470 /nfs/dbraw/zinc/16/04/70/374160470.db2.gz AKRGKHIYRFYLNC-IUCAKERBSA-N 1 2 252.336 -1.383 20 0 CAADLO C[N@@H+]1CCO[C@@H](CS(=O)(=O)N2CC[C@@H](O)C2)C1 ZINC000632007875 374160482 /nfs/dbraw/zinc/16/04/82/374160482.db2.gz ZDHPTNDRIUXRDJ-NXEZZACHSA-N 1 2 264.347 -1.287 20 0 CAADLO C[N@H+]1CCO[C@@H](CS(=O)(=O)N2CC[C@@H](O)C2)C1 ZINC000632007875 374160487 /nfs/dbraw/zinc/16/04/87/374160487.db2.gz ZDHPTNDRIUXRDJ-NXEZZACHSA-N 1 2 264.347 -1.287 20 0 CAADLO C[C@H](NS(=O)(=O)c1nncn1C)[C@H]1C[N@H+](C)CCO1 ZINC000632124009 374160541 /nfs/dbraw/zinc/16/05/41/374160541.db2.gz OWJQDPCDJDBQCB-DTWKUNHWSA-N 1 2 289.361 -1.188 20 0 CAADLO C[C@H](NS(=O)(=O)c1nncn1C)[C@H]1C[N@@H+](C)CCO1 ZINC000632124009 374160545 /nfs/dbraw/zinc/16/05/45/374160545.db2.gz OWJQDPCDJDBQCB-DTWKUNHWSA-N 1 2 289.361 -1.188 20 0 CAADLO C[N@@H+]1CCO[C@H](CS(=O)(=O)NC[C@]2(O)CCOC2)C1 ZINC000632142598 374160593 /nfs/dbraw/zinc/16/05/93/374160593.db2.gz IKQSBRDDLQCONL-WDEREUQCSA-N 1 2 294.373 -1.612 20 0 CAADLO C[N@H+]1CCO[C@H](CS(=O)(=O)NC[C@]2(O)CCOC2)C1 ZINC000632142598 374160598 /nfs/dbraw/zinc/16/05/98/374160598.db2.gz IKQSBRDDLQCONL-WDEREUQCSA-N 1 2 294.373 -1.612 20 0 CAADLO C[C@@H](NS(=O)(=O)c1nncn1C)[C@@H]1C[N@H+](C)CCO1 ZINC000632124008 374160744 /nfs/dbraw/zinc/16/07/44/374160744.db2.gz OWJQDPCDJDBQCB-BDAKNGLRSA-N 1 2 289.361 -1.188 20 0 CAADLO C[C@@H](NS(=O)(=O)c1nncn1C)[C@@H]1C[N@@H+](C)CCO1 ZINC000632124008 374160754 /nfs/dbraw/zinc/16/07/54/374160754.db2.gz OWJQDPCDJDBQCB-BDAKNGLRSA-N 1 2 289.361 -1.188 20 0 CAADLO COC[C@@](C)(O)CNS(=O)(=O)C[C@@H]1C[N@H+](C)CCO1 ZINC000632011213 374161042 /nfs/dbraw/zinc/16/10/42/374161042.db2.gz PNNHVLPUCOXLRQ-QWRGUYRKSA-N 1 2 296.389 -1.366 20 0 CAADLO COC[C@@](C)(O)CNS(=O)(=O)C[C@@H]1C[N@@H+](C)CCO1 ZINC000632011213 374161054 /nfs/dbraw/zinc/16/10/54/374161054.db2.gz PNNHVLPUCOXLRQ-QWRGUYRKSA-N 1 2 296.389 -1.366 20 0 CAADLO C[N@@H+]1CCO[C@@H](CS(=O)(=O)N2C[C@H](O)C[C@H](O)C2)C1 ZINC000632058789 374161111 /nfs/dbraw/zinc/16/11/11/374161111.db2.gz ROSPBWNXYPPYJT-OUAUKWLOSA-N 1 2 294.373 -1.926 20 0 CAADLO C[N@H+]1CCO[C@@H](CS(=O)(=O)N2C[C@H](O)C[C@H](O)C2)C1 ZINC000632058789 374161116 /nfs/dbraw/zinc/16/11/16/374161116.db2.gz ROSPBWNXYPPYJT-OUAUKWLOSA-N 1 2 294.373 -1.926 20 0 CAADLO C[C@@H](NS(=O)(=O)c1nncn1C)[C@H]1C[N@H+](C)CCO1 ZINC000632124011 374161821 /nfs/dbraw/zinc/16/18/21/374161821.db2.gz OWJQDPCDJDBQCB-RKDXNWHRSA-N 1 2 289.361 -1.188 20 0 CAADLO C[C@@H](NS(=O)(=O)c1nncn1C)[C@H]1C[N@@H+](C)CCO1 ZINC000632124011 374161825 /nfs/dbraw/zinc/16/18/25/374161825.db2.gz OWJQDPCDJDBQCB-RKDXNWHRSA-N 1 2 289.361 -1.188 20 0 CAADLO COC[C@@](C)(O)CNS(=O)(=O)C[C@H]1C[N@H+](C)CCO1 ZINC000632011212 374161856 /nfs/dbraw/zinc/16/18/56/374161856.db2.gz PNNHVLPUCOXLRQ-MNOVXSKESA-N 1 2 296.389 -1.366 20 0 CAADLO COC[C@@](C)(O)CNS(=O)(=O)C[C@H]1C[N@@H+](C)CCO1 ZINC000632011212 374161861 /nfs/dbraw/zinc/16/18/61/374161861.db2.gz PNNHVLPUCOXLRQ-MNOVXSKESA-N 1 2 296.389 -1.366 20 0 CAADLO COC[C@@H](CNS(=O)(=O)C[C@H]1C[N@H+](C)CCO1)OC ZINC000632196510 374163099 /nfs/dbraw/zinc/16/30/99/374163099.db2.gz BDQHXAHCMSRKPW-GHMZBOCLSA-N 1 2 296.389 -1.102 20 0 CAADLO COC[C@@H](CNS(=O)(=O)C[C@H]1C[N@@H+](C)CCO1)OC ZINC000632196510 374163107 /nfs/dbraw/zinc/16/31/07/374163107.db2.gz BDQHXAHCMSRKPW-GHMZBOCLSA-N 1 2 296.389 -1.102 20 0 CAADLO CC(C)(CO)[NH+]1CCN(C(=O)C2CS(=O)(=O)C2)CC1 ZINC000632146247 374163163 /nfs/dbraw/zinc/16/31/63/374163163.db2.gz DEYWDDCAYAALTP-UHFFFAOYSA-N 1 2 290.385 -1.054 20 0 CAADLO CN([C@H]1CCNC1=O)S(=O)(=O)C[C@@H]1C[N@H+](C)CCO1 ZINC000632152128 374163185 /nfs/dbraw/zinc/16/31/85/374163185.db2.gz BQSMQSSZQSTDBX-UWVGGRQHSA-N 1 2 291.373 -1.533 20 0 CAADLO CN([C@H]1CCNC1=O)S(=O)(=O)C[C@@H]1C[N@@H+](C)CCO1 ZINC000632152128 374163193 /nfs/dbraw/zinc/16/31/93/374163193.db2.gz BQSMQSSZQSTDBX-UWVGGRQHSA-N 1 2 291.373 -1.533 20 0 CAADLO COC[C@H](CNS(=O)(=O)C[C@H]1C[N@H+](C)CCO1)OC ZINC000632196513 374163411 /nfs/dbraw/zinc/16/34/11/374163411.db2.gz BDQHXAHCMSRKPW-WDEREUQCSA-N 1 2 296.389 -1.102 20 0 CAADLO COC[C@H](CNS(=O)(=O)C[C@H]1C[N@@H+](C)CCO1)OC ZINC000632196513 374163418 /nfs/dbraw/zinc/16/34/18/374163418.db2.gz BDQHXAHCMSRKPW-WDEREUQCSA-N 1 2 296.389 -1.102 20 0 CAADLO C[N@@H+]1CCO[C@@H](CS(=O)(=O)N2CC[C@@H](CO)C2)C1 ZINC000632181429 374163703 /nfs/dbraw/zinc/16/37/03/374163703.db2.gz ZJWRBHNSYFZPAP-GHMZBOCLSA-N 1 2 278.374 -1.039 20 0 CAADLO C[N@H+]1CCO[C@@H](CS(=O)(=O)N2CC[C@@H](CO)C2)C1 ZINC000632181429 374163712 /nfs/dbraw/zinc/16/37/12/374163712.db2.gz ZJWRBHNSYFZPAP-GHMZBOCLSA-N 1 2 278.374 -1.039 20 0 CAADLO COC[C@@H](O)CCNS(=O)(=O)C[C@@H]1C[N@H+](C)CCO1 ZINC000632161526 374163740 /nfs/dbraw/zinc/16/37/40/374163740.db2.gz BEXAFGZYFBYTIT-QWRGUYRKSA-N 1 2 296.389 -1.366 20 0 CAADLO COC[C@@H](O)CCNS(=O)(=O)C[C@@H]1C[N@@H+](C)CCO1 ZINC000632161526 374163743 /nfs/dbraw/zinc/16/37/43/374163743.db2.gz BEXAFGZYFBYTIT-QWRGUYRKSA-N 1 2 296.389 -1.366 20 0 CAADLO C[C@@H]1CN(S(=O)(=O)C[C@@H]2C[N@H+](C)CCO2)C[C@@H]1O ZINC000632168887 374163804 /nfs/dbraw/zinc/16/38/04/374163804.db2.gz COTVVFVKMHBDSF-VWYCJHECSA-N 1 2 278.374 -1.041 20 0 CAADLO C[C@@H]1CN(S(=O)(=O)C[C@@H]2C[N@@H+](C)CCO2)C[C@@H]1O ZINC000632168887 374163808 /nfs/dbraw/zinc/16/38/08/374163808.db2.gz COTVVFVKMHBDSF-VWYCJHECSA-N 1 2 278.374 -1.041 20 0 CAADLO C[C@@H](O)CN(C)S(=O)(=O)C[C@@H]1C[N@H+](C)CCO1 ZINC000632180513 374163920 /nfs/dbraw/zinc/16/39/20/374163920.db2.gz AUIWZRCYIJRWGK-ZJUUUORDSA-N 1 2 266.363 -1.041 20 0 CAADLO C[C@@H](O)CN(C)S(=O)(=O)C[C@@H]1C[N@@H+](C)CCO1 ZINC000632180513 374163924 /nfs/dbraw/zinc/16/39/24/374163924.db2.gz AUIWZRCYIJRWGK-ZJUUUORDSA-N 1 2 266.363 -1.041 20 0 CAADLO COC[C@@H](O)CCNS(=O)(=O)C[C@H]1C[N@H+](C)CCO1 ZINC000632161527 374164036 /nfs/dbraw/zinc/16/40/36/374164036.db2.gz BEXAFGZYFBYTIT-WDEREUQCSA-N 1 2 296.389 -1.366 20 0 CAADLO COC[C@@H](O)CCNS(=O)(=O)C[C@H]1C[N@@H+](C)CCO1 ZINC000632161527 374164049 /nfs/dbraw/zinc/16/40/49/374164049.db2.gz BEXAFGZYFBYTIT-WDEREUQCSA-N 1 2 296.389 -1.366 20 0 CAADLO C[N@@H+]1CCO[C@@H](CS(=O)(=O)NCCCOCCO)C1 ZINC000632195798 374164157 /nfs/dbraw/zinc/16/41/57/374164157.db2.gz GWZHXYYJORHXNL-LLVKDONJSA-N 1 2 296.389 -1.365 20 0 CAADLO C[N@H+]1CCO[C@@H](CS(=O)(=O)NCCCOCCO)C1 ZINC000632195798 374164169 /nfs/dbraw/zinc/16/41/69/374164169.db2.gz GWZHXYYJORHXNL-LLVKDONJSA-N 1 2 296.389 -1.365 20 0 CAADLO C[N@@H+]1CCO[C@H](CS(=O)(=O)N(CCO)CCO)C1 ZINC000632168459 374164459 /nfs/dbraw/zinc/16/44/59/374164459.db2.gz OHURWWCSDGIVMO-JTQLQIEISA-N 1 2 282.362 -2.067 20 0 CAADLO C[N@H+]1CCO[C@H](CS(=O)(=O)N(CCO)CCO)C1 ZINC000632168459 374164471 /nfs/dbraw/zinc/16/44/71/374164471.db2.gz OHURWWCSDGIVMO-JTQLQIEISA-N 1 2 282.362 -2.067 20 0 CAADLO CN1CN(S(=O)(=O)C[C@H]2C[N@H+](C)CCO2)CC1=O ZINC000632183088 374164673 /nfs/dbraw/zinc/16/46/73/374164673.db2.gz GJMXWYAWHAUVTP-SECBINFHSA-N 1 2 277.346 -1.622 20 0 CAADLO CN1CN(S(=O)(=O)C[C@H]2C[N@@H+](C)CCO2)CC1=O ZINC000632183088 374164681 /nfs/dbraw/zinc/16/46/81/374164681.db2.gz GJMXWYAWHAUVTP-SECBINFHSA-N 1 2 277.346 -1.622 20 0 CAADLO C[C@H](O)CN(C)S(=O)(=O)C[C@@H]1C[N@H+](C)CCO1 ZINC000632180511 374164751 /nfs/dbraw/zinc/16/47/51/374164751.db2.gz AUIWZRCYIJRWGK-UWVGGRQHSA-N 1 2 266.363 -1.041 20 0 CAADLO C[C@H](O)CN(C)S(=O)(=O)C[C@@H]1C[N@@H+](C)CCO1 ZINC000632180511 374164760 /nfs/dbraw/zinc/16/47/60/374164760.db2.gz AUIWZRCYIJRWGK-UWVGGRQHSA-N 1 2 266.363 -1.041 20 0 CAADLO CN(CCCO)S(=O)(=O)C[C@H]1C[N@H+](C)CCO1 ZINC000632305399 374165869 /nfs/dbraw/zinc/16/58/69/374165869.db2.gz SSLHUYQLPMDSRT-SNVBAGLBSA-N 1 2 266.363 -1.039 20 0 CAADLO CN(CCCO)S(=O)(=O)C[C@H]1C[N@@H+](C)CCO1 ZINC000632305399 374165871 /nfs/dbraw/zinc/16/58/71/374165871.db2.gz SSLHUYQLPMDSRT-SNVBAGLBSA-N 1 2 266.363 -1.039 20 0 CAADLO C[N@@H+]1CCO[C@H](CS(=O)(=O)NCC(F)(F)CO)C1 ZINC000632225054 374166237 /nfs/dbraw/zinc/16/62/37/374166237.db2.gz XUASKFAITKXOCJ-QMMMGPOBSA-N 1 2 288.316 -1.136 20 0 CAADLO C[N@H+]1CCO[C@H](CS(=O)(=O)NCC(F)(F)CO)C1 ZINC000632225054 374166241 /nfs/dbraw/zinc/16/62/41/374166241.db2.gz XUASKFAITKXOCJ-QMMMGPOBSA-N 1 2 288.316 -1.136 20 0 CAADLO C[C@H](NS(=O)(=O)C[C@H]1C[N@H+](C)CCO1)C(=O)N(C)C ZINC000632270943 374166489 /nfs/dbraw/zinc/16/64/89/374166489.db2.gz CQYORKDEHGRYQY-VHSXEESVSA-N 1 2 293.389 -1.287 20 0 CAADLO C[C@H](NS(=O)(=O)C[C@H]1C[N@@H+](C)CCO1)C(=O)N(C)C ZINC000632270943 374166497 /nfs/dbraw/zinc/16/64/97/374166497.db2.gz CQYORKDEHGRYQY-VHSXEESVSA-N 1 2 293.389 -1.287 20 0 CAADLO COCC[C@H](CO)NS(=O)(=O)C[C@@H]1C[N@H+](C)CCO1 ZINC000632303790 374166682 /nfs/dbraw/zinc/16/66/82/374166682.db2.gz ZMLDOHNJNYKKEZ-MNOVXSKESA-N 1 2 296.389 -1.366 20 0 CAADLO COCC[C@H](CO)NS(=O)(=O)C[C@@H]1C[N@@H+](C)CCO1 ZINC000632303790 374166685 /nfs/dbraw/zinc/16/66/85/374166685.db2.gz ZMLDOHNJNYKKEZ-MNOVXSKESA-N 1 2 296.389 -1.366 20 0 CAADLO Cn1cnnc1S(=O)(=O)NCC[N@@H+]1CCCOCC1 ZINC000632259262 374166887 /nfs/dbraw/zinc/16/68/87/374166887.db2.gz GTFAFLODEFEEHB-UHFFFAOYSA-N 1 2 289.361 -1.184 20 0 CAADLO Cn1cnnc1S(=O)(=O)NCC[N@H+]1CCCOCC1 ZINC000632259262 374166897 /nfs/dbraw/zinc/16/68/97/374166897.db2.gz GTFAFLODEFEEHB-UHFFFAOYSA-N 1 2 289.361 -1.184 20 0 CAADLO CN(CCC(N)=O)S(=O)(=O)C[C@H]1C[N@H+](C)CCO1 ZINC000632334279 374167819 /nfs/dbraw/zinc/16/78/19/374167819.db2.gz BFSMAJDZOYDONY-SECBINFHSA-N 1 2 279.362 -1.546 20 0 CAADLO CN(CCC(N)=O)S(=O)(=O)C[C@H]1C[N@@H+](C)CCO1 ZINC000632334279 374167825 /nfs/dbraw/zinc/16/78/25/374167825.db2.gz BFSMAJDZOYDONY-SECBINFHSA-N 1 2 279.362 -1.546 20 0 CAADLO CN(C(C)(C)C(N)=O)S(=O)(=O)C[C@H]1C[N@H+](C)CCO1 ZINC000632380051 374168237 /nfs/dbraw/zinc/16/82/37/374168237.db2.gz QCEUAWRNLQITBC-SECBINFHSA-N 1 2 293.389 -1.158 20 0 CAADLO CN(C(C)(C)C(N)=O)S(=O)(=O)C[C@H]1C[N@@H+](C)CCO1 ZINC000632380051 374168240 /nfs/dbraw/zinc/16/82/40/374168240.db2.gz QCEUAWRNLQITBC-SECBINFHSA-N 1 2 293.389 -1.158 20 0 CAADLO C[C@H]1CN(S(=O)(=O)C[C@@H]2C[N@H+](C)CCO2)CC(=O)N1 ZINC000632413261 374169733 /nfs/dbraw/zinc/16/97/33/374169733.db2.gz YFXUMJWYFGHDJH-UWVGGRQHSA-N 1 2 291.373 -1.533 20 0 CAADLO C[C@H]1CN(S(=O)(=O)C[C@@H]2C[N@@H+](C)CCO2)CC(=O)N1 ZINC000632413261 374169740 /nfs/dbraw/zinc/16/97/40/374169740.db2.gz YFXUMJWYFGHDJH-UWVGGRQHSA-N 1 2 291.373 -1.533 20 0 CAADLO C[C@@H]1CN(S(=O)(=O)C[C@H]2C[N@H+](C)CCO2)CC(=O)N1 ZINC000632413260 374169971 /nfs/dbraw/zinc/16/99/71/374169971.db2.gz YFXUMJWYFGHDJH-NXEZZACHSA-N 1 2 291.373 -1.533 20 0 CAADLO C[C@@H]1CN(S(=O)(=O)C[C@H]2C[N@@H+](C)CCO2)CC(=O)N1 ZINC000632413260 374169977 /nfs/dbraw/zinc/16/99/77/374169977.db2.gz YFXUMJWYFGHDJH-NXEZZACHSA-N 1 2 291.373 -1.533 20 0 CAADLO C[N@H+]1CCO[C@@H](CS(=O)(=O)N[C@@H]2COC[C@H]2O)C1 ZINC000632417381 374170065 /nfs/dbraw/zinc/17/00/65/374170065.db2.gz VFRXIBLSHIFEQG-OPRDCNLKSA-N 1 2 280.346 -2.004 20 0 CAADLO CO[C@@H]1CN(S(=O)(=O)C[C@H]2C[N@H+](C)CCO2)C[C@H]1O ZINC000632416838 374170148 /nfs/dbraw/zinc/17/01/48/374170148.db2.gz GQUQKNKGLPGGFO-GMTAPVOTSA-N 1 2 294.373 -1.662 20 0 CAADLO CO[C@@H]1CN(S(=O)(=O)C[C@H]2C[N@@H+](C)CCO2)C[C@H]1O ZINC000632416838 374170150 /nfs/dbraw/zinc/17/01/50/374170150.db2.gz GQUQKNKGLPGGFO-GMTAPVOTSA-N 1 2 294.373 -1.662 20 0 CAADLO C[C@@H]1CN(S(=O)(=O)C[C@@H]2C[N@H+](C)CCO2)CC(=O)N1 ZINC000632413263 374170197 /nfs/dbraw/zinc/17/01/97/374170197.db2.gz YFXUMJWYFGHDJH-ZJUUUORDSA-N 1 2 291.373 -1.533 20 0 CAADLO C[C@@H]1CN(S(=O)(=O)C[C@@H]2C[N@@H+](C)CCO2)CC(=O)N1 ZINC000632413263 374170201 /nfs/dbraw/zinc/17/02/01/374170201.db2.gz YFXUMJWYFGHDJH-ZJUUUORDSA-N 1 2 291.373 -1.533 20 0 CAADLO C[N@H+]1CCO[C@H](CS(=O)(=O)N[C@@H]2COC[C@H]2O)C1 ZINC000632417380 374170211 /nfs/dbraw/zinc/17/02/11/374170211.db2.gz VFRXIBLSHIFEQG-IVZWLZJFSA-N 1 2 280.346 -2.004 20 0 CAADLO CO[C@@H]1COC[C@@H]1NS(=O)(=O)C[C@H]1C[N@@H+](C)CCO1 ZINC000632443699 374170490 /nfs/dbraw/zinc/17/04/90/374170490.db2.gz XYWTYOWHHIRMQI-OUAUKWLOSA-N 1 2 294.373 -1.350 20 0 CAADLO CC(=O)NCCN(C)S(=O)(=O)C[C@H]1C[N@H+](C)CCO1 ZINC000632500149 374171600 /nfs/dbraw/zinc/17/16/00/374171600.db2.gz XCSNWEZOBARHSH-LLVKDONJSA-N 1 2 293.389 -1.285 20 0 CAADLO CC(=O)NCCN(C)S(=O)(=O)C[C@H]1C[N@@H+](C)CCO1 ZINC000632500149 374171612 /nfs/dbraw/zinc/17/16/12/374171612.db2.gz XCSNWEZOBARHSH-LLVKDONJSA-N 1 2 293.389 -1.285 20 0 CAADLO CO[C@@](C)(CO)CNS(=O)(=O)C[C@@H]1C[N@H+](C)CCO1 ZINC000632536961 374171979 /nfs/dbraw/zinc/17/19/79/374171979.db2.gz VXKMRYRDBMMNPH-WDEREUQCSA-N 1 2 296.389 -1.366 20 0 CAADLO CO[C@@](C)(CO)CNS(=O)(=O)C[C@@H]1C[N@@H+](C)CCO1 ZINC000632536961 374171985 /nfs/dbraw/zinc/17/19/85/374171985.db2.gz VXKMRYRDBMMNPH-WDEREUQCSA-N 1 2 296.389 -1.366 20 0 CAADLO C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@@H+]1CCNC(=O)CC1 ZINC000068334269 374172010 /nfs/dbraw/zinc/17/20/10/374172010.db2.gz AJPNJQRPODQRMO-MNOVXSKESA-N 1 2 296.371 -1.079 20 0 CAADLO C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@H+]1CCNC(=O)CC1 ZINC000068334269 374172015 /nfs/dbraw/zinc/17/20/15/374172015.db2.gz AJPNJQRPODQRMO-MNOVXSKESA-N 1 2 296.371 -1.079 20 0 CAADLO C[N@@H+]1CCO[C@H](CS(=O)(=O)N[C@H](CO)CCF)C1 ZINC000632514045 374172146 /nfs/dbraw/zinc/17/21/46/374172146.db2.gz YUNYOZCDPNMSNI-UWVGGRQHSA-N 1 2 284.353 -1.043 20 0 CAADLO C[N@H+]1CCO[C@H](CS(=O)(=O)N[C@H](CO)CCF)C1 ZINC000632514045 374172149 /nfs/dbraw/zinc/17/21/49/374172149.db2.gz YUNYOZCDPNMSNI-UWVGGRQHSA-N 1 2 284.353 -1.043 20 0 CAADLO C[N@@H+]1CCO[C@@H](CS(=O)(=O)N[C@H](CO)CCF)C1 ZINC000632514046 374172523 /nfs/dbraw/zinc/17/25/23/374172523.db2.gz YUNYOZCDPNMSNI-VHSXEESVSA-N 1 2 284.353 -1.043 20 0 CAADLO C[N@H+]1CCO[C@@H](CS(=O)(=O)N[C@H](CO)CCF)C1 ZINC000632514046 374172525 /nfs/dbraw/zinc/17/25/25/374172525.db2.gz YUNYOZCDPNMSNI-VHSXEESVSA-N 1 2 284.353 -1.043 20 0 CAADLO COCCCS(=O)(=O)N1CC[N@H+](C)C[C@@H]1CO ZINC000632578427 374173678 /nfs/dbraw/zinc/17/36/78/374173678.db2.gz VJLOZHOCCGXCLW-SNVBAGLBSA-N 1 2 266.363 -1.039 20 0 CAADLO COCCCS(=O)(=O)N1CC[N@@H+](C)C[C@@H]1CO ZINC000632578427 374173685 /nfs/dbraw/zinc/17/36/85/374173685.db2.gz VJLOZHOCCGXCLW-SNVBAGLBSA-N 1 2 266.363 -1.039 20 0 CAADLO C[N@@H+]1CCN(S(=O)(=O)[C@H]2CCOC2)[C@@H](CO)C1 ZINC000632578121 374173726 /nfs/dbraw/zinc/17/37/26/374173726.db2.gz NQAARCWEDHGJJO-ZJUUUORDSA-N 1 2 264.347 -1.287 20 0 CAADLO C[N@H+]1CCN(S(=O)(=O)[C@H]2CCOC2)[C@@H](CO)C1 ZINC000632578121 374173734 /nfs/dbraw/zinc/17/37/34/374173734.db2.gz NQAARCWEDHGJJO-ZJUUUORDSA-N 1 2 264.347 -1.287 20 0 CAADLO CO[C@@H](C)CS(=O)(=O)N1CC[N@H+](C)C[C@@H]1CO ZINC000632578184 374173842 /nfs/dbraw/zinc/17/38/42/374173842.db2.gz PFEHUSRIZRYIRP-VHSXEESVSA-N 1 2 266.363 -1.041 20 0 CAADLO CO[C@@H](C)CS(=O)(=O)N1CC[N@@H+](C)C[C@@H]1CO ZINC000632578184 374173848 /nfs/dbraw/zinc/17/38/48/374173848.db2.gz PFEHUSRIZRYIRP-VHSXEESVSA-N 1 2 266.363 -1.041 20 0 CAADLO C[N@@H+]1CCN(S(=O)(=O)N2CCCC2)[C@H](CO)C1 ZINC000632577896 374173891 /nfs/dbraw/zinc/17/38/91/374173891.db2.gz ZQYJTDODKOSMSV-JTQLQIEISA-N 1 2 263.363 -1.065 20 0 CAADLO C[N@H+]1CCN(S(=O)(=O)N2CCCC2)[C@H](CO)C1 ZINC000632577896 374173894 /nfs/dbraw/zinc/17/38/94/374173894.db2.gz ZQYJTDODKOSMSV-JTQLQIEISA-N 1 2 263.363 -1.065 20 0 CAADLO C[N@@H+]1CCN(S(=O)(=O)N2CCOCC2)[C@@H](CO)C1 ZINC000632577024 374174078 /nfs/dbraw/zinc/17/40/78/374174078.db2.gz IWRIFHVOIPNCPR-SNVBAGLBSA-N 1 2 279.362 -1.828 20 0 CAADLO C[N@H+]1CCN(S(=O)(=O)N2CCOCC2)[C@@H](CO)C1 ZINC000632577024 374174086 /nfs/dbraw/zinc/17/40/86/374174086.db2.gz IWRIFHVOIPNCPR-SNVBAGLBSA-N 1 2 279.362 -1.828 20 0 CAADLO C[N@@H+]1CCN(S(=O)(=O)[C@H]2CCOC2)[C@H](CO)C1 ZINC000632578119 374174138 /nfs/dbraw/zinc/17/41/38/374174138.db2.gz NQAARCWEDHGJJO-UWVGGRQHSA-N 1 2 264.347 -1.287 20 0 CAADLO C[N@H+]1CCN(S(=O)(=O)[C@H]2CCOC2)[C@H](CO)C1 ZINC000632578119 374174142 /nfs/dbraw/zinc/17/41/42/374174142.db2.gz NQAARCWEDHGJJO-UWVGGRQHSA-N 1 2 264.347 -1.287 20 0 CAADLO C[N@@H+]1CCN(S(=O)(=O)C2COC2)[C@H](CO)C1 ZINC000632578565 374174261 /nfs/dbraw/zinc/17/42/61/374174261.db2.gz YLZHBDLSUZYTOA-QMMMGPOBSA-N 1 2 250.320 -1.677 20 0 CAADLO C[N@H+]1CCN(S(=O)(=O)C2COC2)[C@H](CO)C1 ZINC000632578565 374174265 /nfs/dbraw/zinc/17/42/65/374174265.db2.gz YLZHBDLSUZYTOA-QMMMGPOBSA-N 1 2 250.320 -1.677 20 0 CAADLO CO[C@H]1COC[C@H]1S(=O)(=O)N1CC[N@H+](C)C[C@H]1CO ZINC000632576409 374174341 /nfs/dbraw/zinc/17/43/41/374174341.db2.gz QBASRJCIIFZHCI-GARJFASQSA-N 1 2 294.373 -1.662 20 0 CAADLO CO[C@H]1COC[C@H]1S(=O)(=O)N1CC[N@@H+](C)C[C@H]1CO ZINC000632576409 374174345 /nfs/dbraw/zinc/17/43/45/374174345.db2.gz QBASRJCIIFZHCI-GARJFASQSA-N 1 2 294.373 -1.662 20 0 CAADLO COC[C@@H](C)S(=O)(=O)N1CC[N@H+](C)C[C@@H]1CO ZINC000632577370 374174395 /nfs/dbraw/zinc/17/43/95/374174395.db2.gz AJIVSFGCQCEAOD-NXEZZACHSA-N 1 2 266.363 -1.041 20 0 CAADLO COC[C@@H](C)S(=O)(=O)N1CC[N@@H+](C)C[C@@H]1CO ZINC000632577370 374174398 /nfs/dbraw/zinc/17/43/98/374174398.db2.gz AJIVSFGCQCEAOD-NXEZZACHSA-N 1 2 266.363 -1.041 20 0 CAADLO C[N@@H+]1CCO[C@@H](CS(=O)(=O)N2C[C@H](O)[C@@H](O)C2)C1 ZINC000632591815 374174498 /nfs/dbraw/zinc/17/44/98/374174498.db2.gz IKOGTQFEQDJVSH-UTLUCORTSA-N 1 2 280.346 -2.316 20 0 CAADLO C[N@H+]1CCO[C@@H](CS(=O)(=O)N2C[C@H](O)[C@@H](O)C2)C1 ZINC000632591815 374174504 /nfs/dbraw/zinc/17/45/04/374174504.db2.gz IKOGTQFEQDJVSH-UTLUCORTSA-N 1 2 280.346 -2.316 20 0 CAADLO Cn1ccc(S(=O)(=O)N2CC[N@H+](C)C[C@H]2CO)n1 ZINC000632576021 374174527 /nfs/dbraw/zinc/17/45/27/374174527.db2.gz HCMYVEKBRGIDAR-VIFPVBQESA-N 1 2 274.346 -1.283 20 0 CAADLO Cn1ccc(S(=O)(=O)N2CC[N@@H+](C)C[C@H]2CO)n1 ZINC000632576021 374174530 /nfs/dbraw/zinc/17/45/30/374174530.db2.gz HCMYVEKBRGIDAR-VIFPVBQESA-N 1 2 274.346 -1.283 20 0 CAADLO C[C@@H](O)C[N@@H+]1CCN(C(=O)C2CS(=O)(=O)C2)[C@H](C)C1 ZINC000632565845 374174653 /nfs/dbraw/zinc/17/46/53/374174653.db2.gz RKHOYWIZGUNCJI-NXEZZACHSA-N 1 2 290.385 -1.056 20 0 CAADLO C[C@@H](O)C[N@H+]1CCN(C(=O)C2CS(=O)(=O)C2)[C@H](C)C1 ZINC000632565845 374174657 /nfs/dbraw/zinc/17/46/57/374174657.db2.gz RKHOYWIZGUNCJI-NXEZZACHSA-N 1 2 290.385 -1.056 20 0 CAADLO CCCNS(=O)(=O)N1CC[N@H+](C)C[C@H]1CO ZINC000632575945 374174664 /nfs/dbraw/zinc/17/46/64/374174664.db2.gz FDDSYUHEUPLJRL-VIFPVBQESA-N 1 2 251.352 -1.161 20 0 CAADLO CCCNS(=O)(=O)N1CC[N@@H+](C)C[C@H]1CO ZINC000632575945 374174667 /nfs/dbraw/zinc/17/46/67/374174667.db2.gz FDDSYUHEUPLJRL-VIFPVBQESA-N 1 2 251.352 -1.161 20 0 CAADLO C[N@@H+]1CCN(S(=O)(=O)c2ncc[nH]2)[C@@H](CO)C1 ZINC000632577595 374174736 /nfs/dbraw/zinc/17/47/36/374174736.db2.gz DUZZIUCVNIKBRG-MRVPVSSYSA-N 1 2 260.319 -1.293 20 0 CAADLO C[N@H+]1CCN(S(=O)(=O)c2ncc[nH]2)[C@@H](CO)C1 ZINC000632577595 374174741 /nfs/dbraw/zinc/17/47/41/374174741.db2.gz DUZZIUCVNIKBRG-MRVPVSSYSA-N 1 2 260.319 -1.293 20 0 CAADLO C[N@@H+]1CCO[C@H](CS(=O)(=O)N[C@@H]2COC[C@@H]2O)C1 ZINC000632622717 374175553 /nfs/dbraw/zinc/17/55/53/374175553.db2.gz VFRXIBLSHIFEQG-AEJSXWLSSA-N 1 2 280.346 -2.004 20 0 CAADLO C[N@H+]1CCO[C@H](CS(=O)(=O)N[C@@H]2COC[C@@H]2O)C1 ZINC000632622717 374175559 /nfs/dbraw/zinc/17/55/59/374175559.db2.gz VFRXIBLSHIFEQG-AEJSXWLSSA-N 1 2 280.346 -2.004 20 0 CAADLO CN(Cc1[nH]cc[nH+]1)C(=O)C(=O)N1CCN(C)C(=O)C1 ZINC000632654235 374175899 /nfs/dbraw/zinc/17/58/99/374175899.db2.gz RNSKZKCGOHHQMD-UHFFFAOYSA-N 1 2 279.300 -1.331 20 0 CAADLO C[C@H]1CN(C(=O)C(=O)N(C)Cc2[nH]cc[nH+]2)C[C@@H](CO)O1 ZINC000632617513 374176221 /nfs/dbraw/zinc/17/62/21/374176221.db2.gz YERTWJJSQRPRKY-UWVGGRQHSA-N 1 2 296.327 -1.024 20 0 CAADLO C[N@@H+]1CCO[C@@H](CS(=O)(=O)N[C@@H]2COC[C@@H]2O)C1 ZINC000632622718 374176278 /nfs/dbraw/zinc/17/62/78/374176278.db2.gz VFRXIBLSHIFEQG-BBBLOLIVSA-N 1 2 280.346 -2.004 20 0 CAADLO C[N@H+]1CCO[C@@H](CS(=O)(=O)N[C@@H]2COC[C@@H]2O)C1 ZINC000632622718 374176285 /nfs/dbraw/zinc/17/62/85/374176285.db2.gz VFRXIBLSHIFEQG-BBBLOLIVSA-N 1 2 280.346 -2.004 20 0 CAADLO C[C@@H]1CN(C(=O)C(=O)N(C)Cc2[nH]cc[nH+]2)C[C@H](CO)O1 ZINC000632617512 374176362 /nfs/dbraw/zinc/17/63/62/374176362.db2.gz YERTWJJSQRPRKY-NXEZZACHSA-N 1 2 296.327 -1.024 20 0 CAADLO C[N@@H+]1CCO[C@@H](CS(=O)(=O)N[C@@H]2COCC[C@H]2O)C1 ZINC000632707118 374177888 /nfs/dbraw/zinc/17/78/88/374177888.db2.gz CUXDPQSURMYTHN-GMTAPVOTSA-N 1 2 294.373 -1.614 20 0 CAADLO C[N@H+]1CCO[C@@H](CS(=O)(=O)N[C@@H]2COCC[C@H]2O)C1 ZINC000632707118 374177894 /nfs/dbraw/zinc/17/78/94/374177894.db2.gz CUXDPQSURMYTHN-GMTAPVOTSA-N 1 2 294.373 -1.614 20 0 CAADLO O=C(NCC[N@@H+]1CCCOCC1)C1CS(=O)(=O)C1 ZINC000632686290 374178467 /nfs/dbraw/zinc/17/84/67/374178467.db2.gz GYWCBEHOGRDNDC-UHFFFAOYSA-N 1 2 276.358 -1.131 20 0 CAADLO O=C(NCC[N@H+]1CCCOCC1)C1CS(=O)(=O)C1 ZINC000632686290 374178475 /nfs/dbraw/zinc/17/84/75/374178475.db2.gz GYWCBEHOGRDNDC-UHFFFAOYSA-N 1 2 276.358 -1.131 20 0 CAADLO Cn1c(=O)[nH]cc1C(=O)N[C@H](CO)C[NH+]1CCOCC1 ZINC000632854717 374179265 /nfs/dbraw/zinc/17/92/65/374179265.db2.gz KFBAZBITFZYRGL-VIFPVBQESA-N 1 2 284.316 -1.451 20 0 CAADLO CC(=O)N1CCC[C@@H]1C(=O)N[C@@H](CO)C[NH+]1CCOCC1 ZINC000632854823 374179378 /nfs/dbraw/zinc/17/93/78/374179378.db2.gz MCNBMNVGMPPEQH-CHWSQXEVSA-N 1 2 299.371 -1.193 20 0 CAADLO CC[C@@H](NC(C)=O)C(=O)N[C@@H](CO)C[NH+]1CCOCC1 ZINC000632855237 374179669 /nfs/dbraw/zinc/17/96/69/374179669.db2.gz PLDBVRGJYHGWKX-VXGBXAGGSA-N 1 2 287.360 -1.290 20 0 CAADLO O=C(Cc1nnc[nH]1)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000632891057 374179773 /nfs/dbraw/zinc/17/97/73/374179773.db2.gz WZQYXFCIHNKOPS-JTQLQIEISA-N 1 2 264.333 -1.147 20 0 CAADLO O=C(Cc1nnc[nH]1)NC[C@H]1C[N@H+]2CCN1CCC2 ZINC000632891057 374179783 /nfs/dbraw/zinc/17/97/83/374179783.db2.gz WZQYXFCIHNKOPS-JTQLQIEISA-N 1 2 264.333 -1.147 20 0 CAADLO O=C(NC1COC1)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000634255935 374197159 /nfs/dbraw/zinc/19/71/59/374197159.db2.gz YMEAJJCIPFZFPA-LLVKDONJSA-N 1 2 297.355 -1.318 20 0 CAADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@]1(N)CC1(F)F ZINC000634276696 374198696 /nfs/dbraw/zinc/19/86/96/374198696.db2.gz VVUJJYUSBKDBQH-GXSJLCMTSA-N 1 2 293.314 -1.126 20 0 CAADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)[C@]1(N)CC1(F)F ZINC000634276699 374199201 /nfs/dbraw/zinc/19/92/01/374199201.db2.gz VVUJJYUSBKDBQH-MWLCHTKSSA-N 1 2 293.314 -1.126 20 0 CAADLO O=C(N1C[C@@H]2C(=O)NC(=O)[C@@H]2C1)C1([NH+]2CCOCC2)CC1 ZINC000633319294 374188781 /nfs/dbraw/zinc/18/87/81/374188781.db2.gz ZGXFXJXSKVMRJA-AOOOYVTPSA-N 1 2 293.323 -1.418 20 0 CAADLO CC(C)NC(=O)C[N@H+](C)CC(=O)N[C@@H]1COC[C@@H]1O ZINC000633851541 374189813 /nfs/dbraw/zinc/18/98/13/374189813.db2.gz RYPQMLIHEKFIID-ZJUUUORDSA-N 1 2 273.333 -1.681 20 0 CAADLO CC(C)NC(=O)C[N@@H+](C)CC(=O)N[C@@H]1COC[C@@H]1O ZINC000633851541 374189825 /nfs/dbraw/zinc/18/98/25/374189825.db2.gz RYPQMLIHEKFIID-ZJUUUORDSA-N 1 2 273.333 -1.681 20 0 CAADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CCCNC1=O ZINC000633686118 374191227 /nfs/dbraw/zinc/19/12/27/374191227.db2.gz YZVMULOUEDJGBI-UWVGGRQHSA-N 1 2 255.318 -1.041 20 0 CAADLO C[N@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CCCNC1=O ZINC000633686118 374191234 /nfs/dbraw/zinc/19/12/34/374191234.db2.gz YZVMULOUEDJGBI-UWVGGRQHSA-N 1 2 255.318 -1.041 20 0 CAADLO CCn1cc(N2C(=O)C[C@@H]([NH2+]CC(N)=O)C2=O)cn1 ZINC000574766349 335046074 /nfs/dbraw/zinc/04/60/74/335046074.db2.gz IBFMDCFVZLKEKO-MRVPVSSYSA-N 1 2 265.273 -1.390 20 0 CAADLO CNC(=O)NCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(N)=O)C[C@H]1O ZINC001193536056 781971889 /nfs/dbraw/zinc/97/18/89/781971889.db2.gz RHDUHRUVNRMEDW-XLPZGREQSA-N 1 2 287.320 -3.050 20 0 CAADLO CNC(=O)NCC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(N)=O)C[C@H]1O ZINC001193536056 781971896 /nfs/dbraw/zinc/97/18/96/781971896.db2.gz RHDUHRUVNRMEDW-XLPZGREQSA-N 1 2 287.320 -3.050 20 0 CAADLO CNC(=O)NCC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@H]1O ZINC001193527572 781972206 /nfs/dbraw/zinc/97/22/06/781972206.db2.gz GSDVOOMODCZXOB-IWSPIJDZSA-N 1 2 299.331 -3.035 20 0 CAADLO CNC(=O)NCC(=O)N[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@H]1O ZINC001193527572 781972213 /nfs/dbraw/zinc/97/22/13/781972213.db2.gz GSDVOOMODCZXOB-IWSPIJDZSA-N 1 2 299.331 -3.035 20 0 CAADLO O=C(CCc1cnc[nH]1)N[C@@H]1C[N@H+](CCO)C[C@H]1O ZINC001193602164 781974828 /nfs/dbraw/zinc/97/48/28/781974828.db2.gz TWKUWYFXIMNZFG-GHMZBOCLSA-N 1 2 268.317 -1.504 20 0 CAADLO O=C(CCc1cnc[nH]1)N[C@@H]1C[N@@H+](CCO)C[C@H]1O ZINC001193602164 781974838 /nfs/dbraw/zinc/97/48/38/781974838.db2.gz TWKUWYFXIMNZFG-GHMZBOCLSA-N 1 2 268.317 -1.504 20 0 CAADLO CC(C)Nc1nc(N2C[C@H](C)[C@H](O)C2)nc(NCCO)[nH+]1 ZINC000342549235 252125680 /nfs/dbraw/zinc/12/56/80/252125680.db2.gz RVOZFYQSASRVON-VHSXEESVSA-N 1 2 296.375 -1.243 20 0 CAADLO CC(C)Nc1nc(NCCO)[nH+]c(N2C[C@H](C)[C@H](O)C2)n1 ZINC000342549235 252125683 /nfs/dbraw/zinc/12/56/83/252125683.db2.gz RVOZFYQSASRVON-VHSXEESVSA-N 1 2 296.375 -1.243 20 0 CAADLO CC(C)Nc1nc(NCCO)nc(N2C[C@H](C)[C@H](O)C2)[nH+]1 ZINC000342549235 252125687 /nfs/dbraw/zinc/12/56/87/252125687.db2.gz RVOZFYQSASRVON-VHSXEESVSA-N 1 2 296.375 -1.243 20 0 CAADLO C[C@@H]1C[N@H+](CC(=O)N2CCNC2=O)C[C@H](CO)O1 ZINC000299967104 252087441 /nfs/dbraw/zinc/08/74/41/252087441.db2.gz PUFBHXYSYAOXQJ-RKDXNWHRSA-N 1 2 257.290 -1.380 20 0 CAADLO C[C@@H]1C[N@@H+](CC(=O)N2CCNC2=O)C[C@H](CO)O1 ZINC000299967104 252087443 /nfs/dbraw/zinc/08/74/43/252087443.db2.gz PUFBHXYSYAOXQJ-RKDXNWHRSA-N 1 2 257.290 -1.380 20 0 CAADLO C[C@H]1C[N@H+](CCS(=O)(=O)N(C)C)C[C@H](CO)O1 ZINC000310209240 252087966 /nfs/dbraw/zinc/08/79/66/252087966.db2.gz JWINYAPLAGZVDJ-VHSXEESVSA-N 1 2 266.363 -1.041 20 0 CAADLO C[C@H]1C[N@@H+](CCS(=O)(=O)N(C)C)C[C@H](CO)O1 ZINC000310209240 252087968 /nfs/dbraw/zinc/08/79/68/252087968.db2.gz JWINYAPLAGZVDJ-VHSXEESVSA-N 1 2 266.363 -1.041 20 0 CAADLO CC(=O)[C@H](NC(=O)C[N@@H+]1CC[C@@](O)(C(N)=O)C1)C(C)C ZINC000312690938 252089240 /nfs/dbraw/zinc/08/92/40/252089240.db2.gz QKRRWIHDEHEOGU-YPMHNXCESA-N 1 2 285.344 -1.362 20 0 CAADLO CC(=O)[C@H](NC(=O)C[N@H+]1CC[C@@](O)(C(N)=O)C1)C(C)C ZINC000312690938 252089242 /nfs/dbraw/zinc/08/92/42/252089242.db2.gz QKRRWIHDEHEOGU-YPMHNXCESA-N 1 2 285.344 -1.362 20 0 CAADLO CC(=O)[C@@H](NC(=O)C[N@@H+]1CC[C@@](O)(C(N)=O)C1)C(C)C ZINC000312690934 252090575 /nfs/dbraw/zinc/09/05/75/252090575.db2.gz QKRRWIHDEHEOGU-AAEUAGOBSA-N 1 2 285.344 -1.362 20 0 CAADLO CC(=O)[C@@H](NC(=O)C[N@H+]1CC[C@@](O)(C(N)=O)C1)C(C)C ZINC000312690934 252090579 /nfs/dbraw/zinc/09/05/79/252090579.db2.gz QKRRWIHDEHEOGU-AAEUAGOBSA-N 1 2 285.344 -1.362 20 0 CAADLO Cn1c[nH+]cc1CN1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC000328612635 252091562 /nfs/dbraw/zinc/09/15/62/252091562.db2.gz PPNROQMOZKZDPI-SNVBAGLBSA-N 1 2 263.301 -1.437 20 0 CAADLO Cn1cc[nH+]c1CN1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC000328609166 252091704 /nfs/dbraw/zinc/09/17/04/252091704.db2.gz MMNHLYJASIXHKN-SECBINFHSA-N 1 2 263.301 -1.437 20 0 CAADLO Cc1cnn(CC[N@@H+]2CCN3C(=O)C(=O)NC[C@H]3C2)c1 ZINC000328641218 252091994 /nfs/dbraw/zinc/09/19/94/252091994.db2.gz FLAXHDJCRKGXJS-NSHDSACASA-N 1 2 277.328 -1.166 20 0 CAADLO Cc1cnn(CC[N@H+]2CCN3C(=O)C(=O)NC[C@H]3C2)c1 ZINC000328641218 252091999 /nfs/dbraw/zinc/09/19/99/252091999.db2.gz FLAXHDJCRKGXJS-NSHDSACASA-N 1 2 277.328 -1.166 20 0 CAADLO O=C1CN(C[C@@H](O)C[NH+]2CCOCC2)CCN1C1CC1 ZINC000328677145 252092240 /nfs/dbraw/zinc/09/22/40/252092240.db2.gz RZQKTPIVVAVMBU-ZDUSSCGKSA-N 1 2 283.372 -1.014 20 0 CAADLO C[NH+]1CCN(C(=O)CCN2CCn3c(n[nH]c3=O)C2)CC1 ZINC000328662336 252092319 /nfs/dbraw/zinc/09/23/19/252092319.db2.gz ATAHOOSTOUMFBQ-UHFFFAOYSA-N 1 2 294.359 -1.037 20 0 CAADLO COC[C@H](C)Nc1nc(NCCO)[nH+]c(NC(C)C)n1 ZINC000342546978 252125885 /nfs/dbraw/zinc/12/58/85/252125885.db2.gz PTIQRLDERPICMA-VIFPVBQESA-N 1 2 284.364 -1.191 20 0 CAADLO COC[C@H](C)Nc1nc(NC(C)C)nc(NCCO)[nH+]1 ZINC000342546978 252125890 /nfs/dbraw/zinc/12/58/90/252125890.db2.gz PTIQRLDERPICMA-VIFPVBQESA-N 1 2 284.364 -1.191 20 0 CAADLO COC[C@H](C)Nc1nc(NCCO)nc(NC(C)C)[nH+]1 ZINC000342546978 252125891 /nfs/dbraw/zinc/12/58/91/252125891.db2.gz PTIQRLDERPICMA-VIFPVBQESA-N 1 2 284.364 -1.191 20 0 CAADLO CC(=O)N1CCN(C(=O)C[N@@H+]2C[C@@H]3COC[C@H](C2)O3)CC1 ZINC000328700158 252092657 /nfs/dbraw/zinc/09/26/57/252092657.db2.gz VZEDWDJSNGPCQY-BETUJISGSA-N 1 2 297.355 -1.223 20 0 CAADLO CC(=O)N1CCN(C(=O)C[N@H+]2C[C@@H]3COC[C@H](C2)O3)CC1 ZINC000328700158 252092662 /nfs/dbraw/zinc/09/26/62/252092662.db2.gz VZEDWDJSNGPCQY-BETUJISGSA-N 1 2 297.355 -1.223 20 0 CAADLO NS(=O)(=O)N1CC[NH+]([C@H]2CCN(C3CC3)C2=O)CC1 ZINC000328617945 252092706 /nfs/dbraw/zinc/09/27/06/252092706.db2.gz UQMITEOMUZTNOR-JTQLQIEISA-N 1 2 288.373 -1.429 20 0 CAADLO C[N@H+](CCNS(C)(=O)=O)CC(=O)N1CCOCC1 ZINC000330373196 252093357 /nfs/dbraw/zinc/09/33/57/252093357.db2.gz CRFIWTUTWCRHIT-UHFFFAOYSA-N 1 2 279.362 -1.674 20 0 CAADLO C[N@@H+](CCNS(C)(=O)=O)CC(=O)N1CCOCC1 ZINC000330373196 252093360 /nfs/dbraw/zinc/09/33/60/252093360.db2.gz CRFIWTUTWCRHIT-UHFFFAOYSA-N 1 2 279.362 -1.674 20 0 CAADLO O=C([C@@H]1COCCO1)N(CCO)CC[NH+]1CCOCC1 ZINC000328921812 252093406 /nfs/dbraw/zinc/09/34/06/252093406.db2.gz MIBGXXLYFJUUNT-LBPRGKRZSA-N 1 2 288.344 -1.445 20 0 CAADLO Cn1cnn(CC(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)c1=O ZINC000329101246 252094205 /nfs/dbraw/zinc/09/42/05/252094205.db2.gz MXOPHXLLYLTYRK-LLVKDONJSA-N 1 2 295.343 -1.485 20 0 CAADLO Cn1cnn(CCC(=O)N2C[C@H]3OCC[N@H+](C)[C@H]3C2)c1=O ZINC000328946083 252094782 /nfs/dbraw/zinc/09/47/82/252094782.db2.gz VGRNZDBYORGLCR-WDEREUQCSA-N 1 2 295.343 -1.487 20 0 CAADLO Cn1cnn(CCC(=O)N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)c1=O ZINC000328946083 252094785 /nfs/dbraw/zinc/09/47/85/252094785.db2.gz VGRNZDBYORGLCR-WDEREUQCSA-N 1 2 295.343 -1.487 20 0 CAADLO COC(=O)[C@@H]1C[C@@H](O)CN1C[C@@H](O)C[NH+]1CCOCC1 ZINC000330366315 252094946 /nfs/dbraw/zinc/09/49/46/252094946.db2.gz NMWDQKVQIMWCIU-WOPDTQHZSA-N 1 2 288.344 -1.712 20 0 CAADLO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+]1C[C@@H](O)CN1CCOCC1 ZINC000330366315 252094947 /nfs/dbraw/zinc/09/49/47/252094947.db2.gz NMWDQKVQIMWCIU-WOPDTQHZSA-N 1 2 288.344 -1.712 20 0 CAADLO COC(=O)[C@@H]1C[C@@H](O)C[N@H+]1C[C@@H](O)CN1CCOCC1 ZINC000330366315 252094949 /nfs/dbraw/zinc/09/49/49/252094949.db2.gz NMWDQKVQIMWCIU-WOPDTQHZSA-N 1 2 288.344 -1.712 20 0 CAADLO COC(=O)[C@@H]1C[C@@H](O)CN1C[C@H](O)C[NH+]1CCOCC1 ZINC000330366314 252094970 /nfs/dbraw/zinc/09/49/70/252094970.db2.gz NMWDQKVQIMWCIU-UTUOFQBUSA-N 1 2 288.344 -1.712 20 0 CAADLO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+]1C[C@H](O)CN1CCOCC1 ZINC000330366314 252094972 /nfs/dbraw/zinc/09/49/72/252094972.db2.gz NMWDQKVQIMWCIU-UTUOFQBUSA-N 1 2 288.344 -1.712 20 0 CAADLO COC(=O)[C@@H]1C[C@@H](O)C[N@H+]1C[C@H](O)CN1CCOCC1 ZINC000330366314 252094973 /nfs/dbraw/zinc/09/49/73/252094973.db2.gz NMWDQKVQIMWCIU-UTUOFQBUSA-N 1 2 288.344 -1.712 20 0 CAADLO CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C[NH+]1CCOCC1 ZINC000330456191 252095764 /nfs/dbraw/zinc/09/57/64/252095764.db2.gz NOFVOYMUKRBQBN-GXSJLCMTSA-N 1 2 273.333 -1.680 20 0 CAADLO CN(CC[NH+]1CCOCC1)C(=O)CN(C)S(C)(=O)=O ZINC000330462207 252096089 /nfs/dbraw/zinc/09/60/89/252096089.db2.gz MIZAUVAPOVBERC-UHFFFAOYSA-N 1 2 293.389 -1.332 20 0 CAADLO O=C(N[C@H](CO)C[NH+]1CCOCC1)[C@@H]1CCOC1 ZINC000330469890 252096278 /nfs/dbraw/zinc/09/62/78/252096278.db2.gz ZNHCGGBLRHBTCV-MNOVXSKESA-N 1 2 258.318 -1.168 20 0 CAADLO O=C(CO)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000330450285 252096681 /nfs/dbraw/zinc/09/66/81/252096681.db2.gz JOERTIWEQOEXER-SNVBAGLBSA-N 1 2 271.317 -1.972 20 0 CAADLO CC(C)NC(=O)C[N@H+](C)CC(=O)N[C@@H]1CC(=O)N(C)C1 ZINC000330439300 252096772 /nfs/dbraw/zinc/09/67/72/252096772.db2.gz OAIPCXWDIABZMZ-SNVBAGLBSA-N 1 2 284.360 -1.210 20 0 CAADLO CC(C)NC(=O)C[N@@H+](C)CC(=O)N[C@@H]1CC(=O)N(C)C1 ZINC000330439300 252096774 /nfs/dbraw/zinc/09/67/74/252096774.db2.gz OAIPCXWDIABZMZ-SNVBAGLBSA-N 1 2 284.360 -1.210 20 0 CAADLO COCCCNC(=O)[C@H](C)[N@@H+]1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000330512593 252098160 /nfs/dbraw/zinc/09/81/60/252098160.db2.gz SPRAJNIWLVOBBN-VHSXEESVSA-N 1 2 298.343 -1.236 20 0 CAADLO COCCCNC(=O)[C@H](C)[N@H+]1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000330512593 252098163 /nfs/dbraw/zinc/09/81/63/252098163.db2.gz SPRAJNIWLVOBBN-VHSXEESVSA-N 1 2 298.343 -1.236 20 0 CAADLO CCCN(C)S(=O)(=O)NC[C@H](O)C[NH+]1CCOCC1 ZINC000330475302 252098212 /nfs/dbraw/zinc/09/82/12/252098212.db2.gz IQKFYBPLMMDTPX-NSHDSACASA-N 1 2 295.405 -1.144 20 0 CAADLO CCS(=O)(=O)NCC(=O)N(C)CC[NH+]1CCOCC1 ZINC000330505997 252098262 /nfs/dbraw/zinc/09/82/62/252098262.db2.gz GQMMGGHDOFDWIV-UHFFFAOYSA-N 1 2 293.389 -1.284 20 0 CAADLO CC1(C)NC(=O)N(CC[NH+]2CCN(C(=O)CO)CC2)C1=O ZINC000330495907 252098434 /nfs/dbraw/zinc/09/84/34/252098434.db2.gz VWMFPUAXDLPHJV-UHFFFAOYSA-N 1 2 298.343 -1.342 20 0 CAADLO C[C@H](O)C(=O)N1CC[NH+](CCN2C(=O)CNC2=O)CC1 ZINC000330563062 252099357 /nfs/dbraw/zinc/09/93/57/252099357.db2.gz JROPKGYYSSPYRK-VIFPVBQESA-N 1 2 284.316 -1.732 20 0 CAADLO C[C@H](O)C(=O)N1CC[NH+](CCCN2C(=O)CNC2=O)CC1 ZINC000330546048 252100328 /nfs/dbraw/zinc/10/03/28/252100328.db2.gz CBAHXQFZQGUYKU-JTQLQIEISA-N 1 2 298.343 -1.342 20 0 CAADLO C[C@H](O)C(=O)N1CC[NH+](C[C@H](O)CN2CCCC2=O)CC1 ZINC000330589230 252101136 /nfs/dbraw/zinc/10/11/36/252101136.db2.gz UPDKKTYDOVSVGC-RYUDHWBXSA-N 1 2 299.371 -1.505 20 0 CAADLO CNS(=O)(=O)CCC[NH+]1CCN(C(=O)CO)CC1 ZINC000330601535 252101571 /nfs/dbraw/zinc/10/15/71/252101571.db2.gz ZKWQZCAKWYDBKU-UHFFFAOYSA-N 1 2 279.362 -1.938 20 0 CAADLO O=C(CO)N1CCN(C[C@H](O)C[NH+]2CCOCC2)CC1 ZINC000330581398 252101781 /nfs/dbraw/zinc/10/17/81/252101781.db2.gz KYNVGPMVNIPPEE-LBPRGKRZSA-N 1 2 287.360 -2.184 20 0 CAADLO O=C(CO)N1CC[NH+](C[C@H](O)CN2CCOCC2)CC1 ZINC000330581398 252101783 /nfs/dbraw/zinc/10/17/83/252101783.db2.gz KYNVGPMVNIPPEE-LBPRGKRZSA-N 1 2 287.360 -2.184 20 0 CAADLO O=C(CO)N1CC[NH+](C[C@@H](O)CN2CCCC2=O)CC1 ZINC000330588163 252101932 /nfs/dbraw/zinc/10/19/32/252101932.db2.gz OJFBSCNKHWCZSX-LLVKDONJSA-N 1 2 285.344 -1.894 20 0 CAADLO CNS(=O)(=O)CCC[N@@H+]1CCO[C@@H](C(=O)OC)C1 ZINC000330705077 252103101 /nfs/dbraw/zinc/10/31/01/252103101.db2.gz RUARTMRVQCZKBV-SECBINFHSA-N 1 2 280.346 -1.201 20 0 CAADLO CNS(=O)(=O)CCC[N@H+]1CCO[C@@H](C(=O)OC)C1 ZINC000330705077 252103104 /nfs/dbraw/zinc/10/31/04/252103104.db2.gz RUARTMRVQCZKBV-SECBINFHSA-N 1 2 280.346 -1.201 20 0 CAADLO COC(=O)[C@@H]1C[N@H+](C[C@H](O)CN2CCCC2=O)CCO1 ZINC000330714718 252103184 /nfs/dbraw/zinc/10/31/84/252103184.db2.gz BXZUYBYWTSHROX-QWRGUYRKSA-N 1 2 286.328 -1.157 20 0 CAADLO COC(=O)[C@@H]1C[N@@H+](C[C@H](O)CN2CCCC2=O)CCO1 ZINC000330714718 252103187 /nfs/dbraw/zinc/10/31/87/252103187.db2.gz BXZUYBYWTSHROX-QWRGUYRKSA-N 1 2 286.328 -1.157 20 0 CAADLO CC1(C)COCC[N@@H+]1CCNC(=O)CN1CC(=O)NC1=O ZINC000330687648 252103324 /nfs/dbraw/zinc/10/33/24/252103324.db2.gz CBJIDXHJRRMKQD-UHFFFAOYSA-N 1 2 298.343 -1.235 20 0 CAADLO CC1(C)COCC[N@H+]1CCNC(=O)CN1CC(=O)NC1=O ZINC000330687648 252103327 /nfs/dbraw/zinc/10/33/27/252103327.db2.gz CBJIDXHJRRMKQD-UHFFFAOYSA-N 1 2 298.343 -1.235 20 0 CAADLO COC(=O)[C@@H]1C[N@H+](C[C@@H](O)CN2CCCC2=O)CCO1 ZINC000330714717 252103575 /nfs/dbraw/zinc/10/35/75/252103575.db2.gz BXZUYBYWTSHROX-MNOVXSKESA-N 1 2 286.328 -1.157 20 0 CAADLO COC(=O)[C@@H]1C[N@@H+](C[C@@H](O)CN2CCCC2=O)CCO1 ZINC000330714717 252103577 /nfs/dbraw/zinc/10/35/77/252103577.db2.gz BXZUYBYWTSHROX-MNOVXSKESA-N 1 2 286.328 -1.157 20 0 CAADLO CNS(=O)(=O)CCC[NH+]1CCN(C(=O)COC)CC1 ZINC000330698224 252103630 /nfs/dbraw/zinc/10/36/30/252103630.db2.gz LFPNGKSHGHYAHI-UHFFFAOYSA-N 1 2 293.389 -1.284 20 0 CAADLO CNC(=O)[C@H]1C[N@H+](CCCS(=O)(=O)N(C)C)CCO1 ZINC000330797993 252104861 /nfs/dbraw/zinc/10/48/61/252104861.db2.gz GFELMZCZRXSAPT-SNVBAGLBSA-N 1 2 293.389 -1.285 20 0 CAADLO CNC(=O)[C@H]1C[N@@H+](CCCS(=O)(=O)N(C)C)CCO1 ZINC000330797993 252104865 /nfs/dbraw/zinc/10/48/65/252104865.db2.gz GFELMZCZRXSAPT-SNVBAGLBSA-N 1 2 293.389 -1.285 20 0 CAADLO CC(C)COC[C@H](O)C[NH+]1CCN(S(N)(=O)=O)CC1 ZINC000330745657 252105338 /nfs/dbraw/zinc/10/53/38/252105338.db2.gz RQQVPBGGNAOLTM-LLVKDONJSA-N 1 2 295.405 -1.159 20 0 CAADLO CC(C)NC(=O)C[N@H+](C)CC(=O)N[C@@H]1CNC(=O)C1 ZINC000330766303 252105379 /nfs/dbraw/zinc/10/53/79/252105379.db2.gz UVCDHFWIRZGQRQ-VIFPVBQESA-N 1 2 270.333 -1.553 20 0 CAADLO CC(C)NC(=O)C[N@@H+](C)CC(=O)N[C@@H]1CNC(=O)C1 ZINC000330766303 252105381 /nfs/dbraw/zinc/10/53/81/252105381.db2.gz UVCDHFWIRZGQRQ-VIFPVBQESA-N 1 2 270.333 -1.553 20 0 CAADLO COCC(=O)N1CC[NH+](C[C@H](O)CN2CCCC2=O)CC1 ZINC000330724381 252105533 /nfs/dbraw/zinc/10/55/33/252105533.db2.gz GUDNEGHIMVPRML-LBPRGKRZSA-N 1 2 299.371 -1.240 20 0 CAADLO COC(=O)[C@H]1C[N@H+](C[C@@](C)(O)C(=O)OC)CCO1 ZINC000330739137 252105874 /nfs/dbraw/zinc/10/58/74/252105874.db2.gz PRFWJLZYKVZFDK-LDYMZIIASA-N 1 2 261.274 -1.216 20 0 CAADLO COC(=O)[C@H]1C[N@@H+](C[C@@](C)(O)C(=O)OC)CCO1 ZINC000330739137 252105877 /nfs/dbraw/zinc/10/58/77/252105877.db2.gz PRFWJLZYKVZFDK-LDYMZIIASA-N 1 2 261.274 -1.216 20 0 CAADLO CCS(=O)(=O)N1CC[NH+](C[C@](C)(O)C(=O)OC)CC1 ZINC000330733715 252106080 /nfs/dbraw/zinc/10/60/80/252106080.db2.gz KXDMHEDUSNDMAH-NSHDSACASA-N 1 2 294.373 -1.122 20 0 CAADLO CNC(=O)[C@H]1C[N@H+](CCN2C(=O)NC(C)(C)C2=O)CCO1 ZINC000330814001 252107494 /nfs/dbraw/zinc/10/74/94/252107494.db2.gz MNXDXPONNDTYJF-SECBINFHSA-N 1 2 298.343 -1.032 20 0 CAADLO CNC(=O)[C@H]1C[N@@H+](CCN2C(=O)NC(C)(C)C2=O)CCO1 ZINC000330814001 252107497 /nfs/dbraw/zinc/10/74/97/252107497.db2.gz MNXDXPONNDTYJF-SECBINFHSA-N 1 2 298.343 -1.032 20 0 CAADLO COC(=O)[C@](C)(O)C[NH+]1CCN(C(=O)[C@@H](C)O)CC1 ZINC000330847699 252107594 /nfs/dbraw/zinc/10/75/94/252107594.db2.gz OOXMAUFDWOGDDA-BXKDBHETSA-N 1 2 274.317 -1.565 20 0 CAADLO CS(=O)(=O)CC(=O)N[C@H](CO)C[NH+]1CCCCC1 ZINC000330832039 252107751 /nfs/dbraw/zinc/10/77/51/252107751.db2.gz HDSRRMTUHKCKOY-JTQLQIEISA-N 1 2 278.374 -1.006 20 0 CAADLO COC(=O)CNC(=O)C[N@@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000330855253 252107783 /nfs/dbraw/zinc/10/77/83/252107783.db2.gz SKXVMSXMEACUSC-QMMMGPOBSA-N 1 2 293.345 -2.101 20 0 CAADLO COC(=O)CNC(=O)C[N@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000330855253 252107784 /nfs/dbraw/zinc/10/77/84/252107784.db2.gz SKXVMSXMEACUSC-QMMMGPOBSA-N 1 2 293.345 -2.101 20 0 CAADLO COC(=O)[C@](C)(O)C[NH+]1CCN(C(=O)[C@H](C)O)CC1 ZINC000330847701 252107833 /nfs/dbraw/zinc/10/78/33/252107833.db2.gz OOXMAUFDWOGDDA-JOYOIKCWSA-N 1 2 274.317 -1.565 20 0 CAADLO COC(=O)CNC(=O)C[N@@H+]1CCSC[C@@H]1CO ZINC000330816519 252108203 /nfs/dbraw/zinc/10/82/03/252108203.db2.gz DHIGJAHNLVTAFS-QMMMGPOBSA-N 1 2 262.331 -1.315 20 0 CAADLO COC(=O)CNC(=O)C[N@H+]1CCSC[C@@H]1CO ZINC000330816519 252108207 /nfs/dbraw/zinc/10/82/07/252108207.db2.gz DHIGJAHNLVTAFS-QMMMGPOBSA-N 1 2 262.331 -1.315 20 0 CAADLO CC(C)(NS(C)(=O)=O)C(=O)NCC[NH+]1CCOCC1 ZINC000330898807 252109599 /nfs/dbraw/zinc/10/95/99/252109599.db2.gz NGSXCLIJSSJZIK-UHFFFAOYSA-N 1 2 293.389 -1.237 20 0 CAADLO O=S(=O)(CCC[NH+]1CCOCC1)NCCO ZINC000330923738 252109621 /nfs/dbraw/zinc/10/96/21/252109621.db2.gz SNRVGKZXTPSGAH-UHFFFAOYSA-N 1 2 252.336 -1.380 20 0 CAADLO NC(=O)CC(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000330948866 252110820 /nfs/dbraw/zinc/11/08/20/252110820.db2.gz JBKIUWBOLASLPQ-SNVBAGLBSA-N 1 2 298.343 -1.039 20 0 CAADLO CNC(=O)[C@H]1C[N@H+](C[C@](C)(O)C(=O)OC)CCO1 ZINC000331162311 252113156 /nfs/dbraw/zinc/11/31/56/252113156.db2.gz FPMUZRRUVFGSIC-KCJUWKMLSA-N 1 2 260.290 -1.643 20 0 CAADLO CNC(=O)[C@H]1C[N@@H+](C[C@](C)(O)C(=O)OC)CCO1 ZINC000331162311 252113159 /nfs/dbraw/zinc/11/31/59/252113159.db2.gz FPMUZRRUVFGSIC-KCJUWKMLSA-N 1 2 260.290 -1.643 20 0 CAADLO COC(=O)[C@@](C)(O)C[NH+]1CCN(C(=O)CO)CC1 ZINC000331175437 252113461 /nfs/dbraw/zinc/11/34/61/252113461.db2.gz JRTYWOLGNYYSPF-NSHDSACASA-N 1 2 260.290 -1.953 20 0 CAADLO CCCNS(=O)(=O)NCC[NH+]1CCN(C(C)=O)CC1 ZINC000331182128 252113512 /nfs/dbraw/zinc/11/35/12/252113512.db2.gz XMAUONCUEXFXLM-UHFFFAOYSA-N 1 2 292.405 -1.016 20 0 CAADLO COC(=O)[C@H]1CNC(=O)CN1C(=O)CCc1c[nH+]cn1C ZINC000331044680 252113599 /nfs/dbraw/zinc/11/35/99/252113599.db2.gz GVLJYUMCLZWWEY-SNVBAGLBSA-N 1 2 294.311 -1.147 20 0 CAADLO COC(=O)CNC(=O)C[N@@H+]1C[C@H]2OCCN(C)[C@@H]2C1 ZINC000331155182 252114030 /nfs/dbraw/zinc/11/40/30/252114030.db2.gz DDKXIXXICCUFML-NXEZZACHSA-N 1 2 271.317 -1.710 20 0 CAADLO COC(=O)CNC(=O)C[N@H+]1C[C@H]2OCCN(C)[C@@H]2C1 ZINC000331155182 252114032 /nfs/dbraw/zinc/11/40/32/252114032.db2.gz DDKXIXXICCUFML-NXEZZACHSA-N 1 2 271.317 -1.710 20 0 CAADLO COC(=O)CNC(=O)CN1C[C@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000331155182 252114036 /nfs/dbraw/zinc/11/40/36/252114036.db2.gz DDKXIXXICCUFML-NXEZZACHSA-N 1 2 271.317 -1.710 20 0 CAADLO COC(=O)CNC(=O)CN1C[C@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000331155182 252114039 /nfs/dbraw/zinc/11/40/39/252114039.db2.gz DDKXIXXICCUFML-NXEZZACHSA-N 1 2 271.317 -1.710 20 0 CAADLO CCOC(=O)[C@](C)(O)C[N@@H+]1CCO[C@@H](C(=O)NC)C1 ZINC000331040416 252114157 /nfs/dbraw/zinc/11/41/57/252114157.db2.gz CBOOQQRFNYJCIO-BXKDBHETSA-N 1 2 274.317 -1.253 20 0 CAADLO CCOC(=O)[C@](C)(O)C[N@H+]1CCO[C@@H](C(=O)NC)C1 ZINC000331040416 252114159 /nfs/dbraw/zinc/11/41/59/252114159.db2.gz CBOOQQRFNYJCIO-BXKDBHETSA-N 1 2 274.317 -1.253 20 0 CAADLO COC(=O)CCNC(=O)C[N@@H+]1CCN2C(=O)NC[C@@H]2C1 ZINC000331157068 252114206 /nfs/dbraw/zinc/11/42/06/252114206.db2.gz DTURLZKNIDIQFU-SECBINFHSA-N 1 2 284.316 -1.421 20 0 CAADLO COC(=O)CCNC(=O)C[N@H+]1CCN2C(=O)NC[C@@H]2C1 ZINC000331157068 252114209 /nfs/dbraw/zinc/11/42/09/252114209.db2.gz DTURLZKNIDIQFU-SECBINFHSA-N 1 2 284.316 -1.421 20 0 CAADLO CNC(=O)[C@@H]1C[N@H+](C[C@@](C)(O)C(=O)OC)CCO1 ZINC000331162217 252114546 /nfs/dbraw/zinc/11/45/46/252114546.db2.gz FPMUZRRUVFGSIC-GZMMTYOYSA-N 1 2 260.290 -1.643 20 0 CAADLO CNC(=O)[C@@H]1C[N@@H+](C[C@@](C)(O)C(=O)OC)CCO1 ZINC000331162217 252114550 /nfs/dbraw/zinc/11/45/50/252114550.db2.gz FPMUZRRUVFGSIC-GZMMTYOYSA-N 1 2 260.290 -1.643 20 0 CAADLO COC(=O)CCNC(=O)C[N@@H+]1C[C@@H]2OCCN(C)[C@H]2C1 ZINC000331184983 252114605 /nfs/dbraw/zinc/11/46/05/252114605.db2.gz ODXCOXSQXIMRHS-QWRGUYRKSA-N 1 2 285.344 -1.320 20 0 CAADLO COC(=O)CCNC(=O)C[N@H+]1C[C@@H]2OCCN(C)[C@H]2C1 ZINC000331184983 252114606 /nfs/dbraw/zinc/11/46/06/252114606.db2.gz ODXCOXSQXIMRHS-QWRGUYRKSA-N 1 2 285.344 -1.320 20 0 CAADLO C[N@@H+](CC(N)=O)C[C@H]1CN(C(=O)[C@H]2CNC(=O)C2)CCO1 ZINC000331253997 252115087 /nfs/dbraw/zinc/11/50/87/252115087.db2.gz WGGZRRJJWSBHTK-ZJUUUORDSA-N 1 2 298.343 -1.183 20 0 CAADLO C[N@H+](CC(N)=O)C[C@H]1CN(C(=O)[C@H]2CNC(=O)C2)CCO1 ZINC000331253997 252115090 /nfs/dbraw/zinc/11/50/90/252115090.db2.gz WGGZRRJJWSBHTK-ZJUUUORDSA-N 1 2 298.343 -1.183 20 0 CAADLO Cn1nccc1CC(=O)N[C@@H](CO)C[NH+]1CCOCC1 ZINC000331239857 252115163 /nfs/dbraw/zinc/11/51/63/252115163.db2.gz KKYQTUTVEXSPRU-LLVKDONJSA-N 1 2 282.344 -1.228 20 0 CAADLO CC[C@H](O)C[NH+]1CCN(C(=O)CS(=O)(=O)NC)CC1 ZINC000331250329 252115328 /nfs/dbraw/zinc/11/53/28/252115328.db2.gz SIZVDBPKNCKVLH-JTQLQIEISA-N 1 2 293.389 -1.549 20 0 CAADLO C[N@@H+](CC(N)=O)C[C@H]1CN(C(=O)[C@@H]2CNC(=O)C2)CCO1 ZINC000331253995 252115983 /nfs/dbraw/zinc/11/59/83/252115983.db2.gz WGGZRRJJWSBHTK-UWVGGRQHSA-N 1 2 298.343 -1.183 20 0 CAADLO C[N@H+](CC(N)=O)C[C@H]1CN(C(=O)[C@@H]2CNC(=O)C2)CCO1 ZINC000331253995 252115986 /nfs/dbraw/zinc/11/59/86/252115986.db2.gz WGGZRRJJWSBHTK-UWVGGRQHSA-N 1 2 298.343 -1.183 20 0 CAADLO COC(=O)[C@](C)(O)C[N@@H+]1CCO[C@@H](CNC(C)=O)C1 ZINC000331201367 252116407 /nfs/dbraw/zinc/11/64/07/252116407.db2.gz VMEWLKJVVMAEBH-CMPLNLGQSA-N 1 2 274.317 -1.253 20 0 CAADLO COC(=O)[C@](C)(O)C[N@H+]1CCO[C@@H](CNC(C)=O)C1 ZINC000331201367 252116411 /nfs/dbraw/zinc/11/64/11/252116411.db2.gz VMEWLKJVVMAEBH-CMPLNLGQSA-N 1 2 274.317 -1.253 20 0 CAADLO Cn1nccc1CC(=O)N[C@H](CO)C[NH+]1CCOCC1 ZINC000331239858 252116585 /nfs/dbraw/zinc/11/65/85/252116585.db2.gz KKYQTUTVEXSPRU-NSHDSACASA-N 1 2 282.344 -1.228 20 0 CAADLO CNS(=O)(=O)CC(=O)N(C)CC[NH+]1CCOCC1 ZINC000331218901 252116711 /nfs/dbraw/zinc/11/67/11/252116711.db2.gz AGXYDQMWBOWJPV-UHFFFAOYSA-N 1 2 279.362 -1.674 20 0 CAADLO C[N@@H+]1CCO[C@@H](C(=O)NCCCc2n[nH]c(=O)[nH]2)C1 ZINC000331286652 252117379 /nfs/dbraw/zinc/11/73/79/252117379.db2.gz MFIZNMDNOABESO-MRVPVSSYSA-N 1 2 269.305 -1.110 20 0 CAADLO C[N@H+]1CCO[C@@H](C(=O)NCCCc2n[nH]c(=O)[nH]2)C1 ZINC000331286652 252117384 /nfs/dbraw/zinc/11/73/84/252117384.db2.gz MFIZNMDNOABESO-MRVPVSSYSA-N 1 2 269.305 -1.110 20 0 CAADLO CCOCC[C@@H](O)C[NH+]1CCN(S(N)(=O)=O)CC1 ZINC000331289835 252117881 /nfs/dbraw/zinc/11/78/81/252117881.db2.gz JKTSCFHTHWTONF-SNVBAGLBSA-N 1 2 281.378 -1.405 20 0 CAADLO CCOCC[C@H](O)C[NH+]1CCN(S(N)(=O)=O)CC1 ZINC000331289834 252117908 /nfs/dbraw/zinc/11/79/08/252117908.db2.gz JKTSCFHTHWTONF-JTQLQIEISA-N 1 2 281.378 -1.405 20 0 CAADLO C[C@H](C(=O)NCC(=O)NCCO)[NH+]1CCSCC1 ZINC000331267937 252118217 /nfs/dbraw/zinc/11/82/17/252118217.db2.gz KANWEIVHGOKAPX-SECBINFHSA-N 1 2 275.374 -1.352 20 0 CAADLO COC(=O)[C@@H](O)C1CC[NH+](Cc2nnnn2C)CC1 ZINC000331271429 252118509 /nfs/dbraw/zinc/11/85/09/252118509.db2.gz NFHLNYJMAIWUEE-JTQLQIEISA-N 1 2 269.305 -1.044 20 0 CAADLO CN1C[C@@H](NC(=O)NC[C@H]2C[N@H+](C)CCO2)CC1=O ZINC000332972086 252120677 /nfs/dbraw/zinc/12/06/77/252120677.db2.gz MDUZZYSIFGCLOS-UWVGGRQHSA-N 1 2 270.333 -1.153 20 0 CAADLO CN1C[C@@H](NC(=O)NC[C@H]2C[N@@H+](C)CCO2)CC1=O ZINC000332972086 252120679 /nfs/dbraw/zinc/12/06/79/252120679.db2.gz MDUZZYSIFGCLOS-UWVGGRQHSA-N 1 2 270.333 -1.153 20 0 CAADLO CC(C)OC[C@H](O)C[N@@H+]1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC000332739726 252121746 /nfs/dbraw/zinc/12/17/46/252121746.db2.gz YKLDENOMYVONEB-WDEREUQCSA-N 1 2 285.344 -1.585 20 0 CAADLO CC(C)OC[C@H](O)C[N@H+]1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC000332739726 252121751 /nfs/dbraw/zinc/12/17/51/252121751.db2.gz YKLDENOMYVONEB-WDEREUQCSA-N 1 2 285.344 -1.585 20 0 CAADLO CNC(=O)N[C@@H]1CC[N@@H+]([C@@H]2CC(=O)N(CCOC)C2=O)C1 ZINC000342442692 252122191 /nfs/dbraw/zinc/12/21/91/252122191.db2.gz BBLDQXZXAOEBQS-NXEZZACHSA-N 1 2 298.343 -1.236 20 0 CAADLO CNC(=O)N[C@@H]1CC[N@H+]([C@@H]2CC(=O)N(CCOC)C2=O)C1 ZINC000342442692 252122194 /nfs/dbraw/zinc/12/21/94/252122194.db2.gz BBLDQXZXAOEBQS-NXEZZACHSA-N 1 2 298.343 -1.236 20 0 CAADLO CNC(=O)N[C@H]1CC[N@@H+]([C@@H]2CC(=O)N(CCOC)C2=O)C1 ZINC000342442728 252122200 /nfs/dbraw/zinc/12/22/00/252122200.db2.gz BBLDQXZXAOEBQS-VHSXEESVSA-N 1 2 298.343 -1.236 20 0 CAADLO CNC(=O)N[C@H]1CC[N@H+]([C@@H]2CC(=O)N(CCOC)C2=O)C1 ZINC000342442728 252122202 /nfs/dbraw/zinc/12/22/02/252122202.db2.gz BBLDQXZXAOEBQS-VHSXEESVSA-N 1 2 298.343 -1.236 20 0 CAADLO CNC(=O)N[C@H]1CC[N@@H+]([C@H]2CC(=O)N(CCOC)C2=O)C1 ZINC000342442712 252122262 /nfs/dbraw/zinc/12/22/62/252122262.db2.gz BBLDQXZXAOEBQS-UWVGGRQHSA-N 1 2 298.343 -1.236 20 0 CAADLO CNC(=O)N[C@H]1CC[N@H+]([C@H]2CC(=O)N(CCOC)C2=O)C1 ZINC000342442712 252122263 /nfs/dbraw/zinc/12/22/63/252122263.db2.gz BBLDQXZXAOEBQS-UWVGGRQHSA-N 1 2 298.343 -1.236 20 0 CAADLO CCNC(=O)NC(=O)C[N@@H+]1CC[C@@H](NC(=O)NC)C1 ZINC000342381937 252122346 /nfs/dbraw/zinc/12/23/46/252122346.db2.gz VSECPUUGJUZILI-MRVPVSSYSA-N 1 2 271.321 -1.165 20 0 CAADLO CCNC(=O)NC(=O)C[N@H+]1CC[C@@H](NC(=O)NC)C1 ZINC000342381937 252122348 /nfs/dbraw/zinc/12/23/48/252122348.db2.gz VSECPUUGJUZILI-MRVPVSSYSA-N 1 2 271.321 -1.165 20 0 CAADLO CC[C@H](O)CCNc1nc(NC(C)C)nc(NCCO)[nH+]1 ZINC000342642962 252127034 /nfs/dbraw/zinc/12/70/34/252127034.db2.gz ZUJRLSAMBFPRGX-JTQLQIEISA-N 1 2 298.391 -1.065 20 0 CAADLO CC[C@H](O)CCNc1nc(NCCO)nc(NC(C)C)[nH+]1 ZINC000342642962 252127039 /nfs/dbraw/zinc/12/70/39/252127039.db2.gz ZUJRLSAMBFPRGX-JTQLQIEISA-N 1 2 298.391 -1.065 20 0 CAADLO CC[C@H](O)CCNc1nc(NCCO)[nH+]c(NC(C)C)n1 ZINC000342642962 252127046 /nfs/dbraw/zinc/12/70/46/252127046.db2.gz ZUJRLSAMBFPRGX-JTQLQIEISA-N 1 2 298.391 -1.065 20 0 CAADLO COC(=O)C[N@H+](C)Cc1cn(C)c(=O)n(C)c1=O ZINC000342394978 252123330 /nfs/dbraw/zinc/12/33/30/252123330.db2.gz RELHTIQZLMQVTA-UHFFFAOYSA-N 1 2 255.274 -1.311 20 0 CAADLO COC(=O)C[N@@H+](C)Cc1cn(C)c(=O)n(C)c1=O ZINC000342394978 252123332 /nfs/dbraw/zinc/12/33/32/252123332.db2.gz RELHTIQZLMQVTA-UHFFFAOYSA-N 1 2 255.274 -1.311 20 0 CAADLO CC[C@H](CCO)Nc1nc(NCCO)[nH+]c(NC(C)C)n1 ZINC000342374083 252123352 /nfs/dbraw/zinc/12/33/52/252123352.db2.gz KDKXALHYHYSZBT-SNVBAGLBSA-N 1 2 298.391 -1.065 20 0 CAADLO CC[C@H](CCO)Nc1nc(NC(C)C)nc(NCCO)[nH+]1 ZINC000342374083 252123362 /nfs/dbraw/zinc/12/33/62/252123362.db2.gz KDKXALHYHYSZBT-SNVBAGLBSA-N 1 2 298.391 -1.065 20 0 CAADLO CC[C@H](CCO)Nc1nc(NCCO)nc(NC(C)C)[nH+]1 ZINC000342374083 252123366 /nfs/dbraw/zinc/12/33/66/252123366.db2.gz KDKXALHYHYSZBT-SNVBAGLBSA-N 1 2 298.391 -1.065 20 0 CAADLO CC(C)Nc1nc(N2C[C@@H](C)[C@H](O)C2)nc(NCCO)[nH+]1 ZINC000342549229 252124376 /nfs/dbraw/zinc/12/43/76/252124376.db2.gz RVOZFYQSASRVON-NXEZZACHSA-N 1 2 296.375 -1.243 20 0 CAADLO CC(C)Nc1nc(NCCO)[nH+]c(N2C[C@@H](C)[C@H](O)C2)n1 ZINC000342549229 252124380 /nfs/dbraw/zinc/12/43/80/252124380.db2.gz RVOZFYQSASRVON-NXEZZACHSA-N 1 2 296.375 -1.243 20 0 CAADLO CC(C)Nc1nc(NCCO)nc(N2C[C@@H](C)[C@H](O)C2)[nH+]1 ZINC000342549229 252124383 /nfs/dbraw/zinc/12/43/83/252124383.db2.gz RVOZFYQSASRVON-NXEZZACHSA-N 1 2 296.375 -1.243 20 0 CAADLO CC(C)Nc1nc(N[C@H](C)CCCO)nc(NCCO)[nH+]1 ZINC000342554484 252124435 /nfs/dbraw/zinc/12/44/35/252124435.db2.gz UFGNQIYAZGFSRF-SNVBAGLBSA-N 1 2 298.391 -1.065 20 0 CAADLO CC(C)Nc1nc(NCCO)[nH+]c(N[C@H](C)CCCO)n1 ZINC000342554484 252124440 /nfs/dbraw/zinc/12/44/40/252124440.db2.gz UFGNQIYAZGFSRF-SNVBAGLBSA-N 1 2 298.391 -1.065 20 0 CAADLO CC(C)Nc1nc(NCCO)nc(N[C@H](C)CCCO)[nH+]1 ZINC000342554484 252124443 /nfs/dbraw/zinc/12/44/43/252124443.db2.gz UFGNQIYAZGFSRF-SNVBAGLBSA-N 1 2 298.391 -1.065 20 0 CAADLO CC(C)Nc1nc(N[C@@H](C)CCCO)nc(NCCO)[nH+]1 ZINC000342554483 252125131 /nfs/dbraw/zinc/12/51/31/252125131.db2.gz UFGNQIYAZGFSRF-JTQLQIEISA-N 1 2 298.391 -1.065 20 0 CAADLO CC(C)Nc1nc(NCCO)[nH+]c(N[C@@H](C)CCCO)n1 ZINC000342554483 252125135 /nfs/dbraw/zinc/12/51/35/252125135.db2.gz UFGNQIYAZGFSRF-JTQLQIEISA-N 1 2 298.391 -1.065 20 0 CAADLO CC(C)Nc1nc(NCCO)nc(N[C@@H](C)CCCO)[nH+]1 ZINC000342554483 252125139 /nfs/dbraw/zinc/12/51/39/252125139.db2.gz UFGNQIYAZGFSRF-JTQLQIEISA-N 1 2 298.391 -1.065 20 0 CAADLO Cn1nnnc1SC[C@@H](O)C[NH+]1CCOCC1 ZINC000066237423 252077135 /nfs/dbraw/zinc/07/71/35/252077135.db2.gz XBKXSQFSCIJDDV-QMMMGPOBSA-N 1 2 259.335 -1.005 20 0 CAADLO CC(=O)N1CCN(C[C@@H](O)C[NH+]2CCOCC2)CC1 ZINC000072751418 252077187 /nfs/dbraw/zinc/07/71/87/252077187.db2.gz XUWMGPCHNQMXKP-CYBMUJFWSA-N 1 2 271.361 -1.156 20 0 CAADLO CCOC[C@@H](O)C[NH+]1CCN(S(C)(=O)=O)CC1 ZINC000069277317 252077200 /nfs/dbraw/zinc/07/72/00/252077200.db2.gz RUCQGYOBELAWHX-JTQLQIEISA-N 1 2 266.363 -1.039 20 0 CAADLO O=C(C[N@@H+]1CCNC(=O)CC1)NCC(=O)N1CCCC1 ZINC000073648883 252077422 /nfs/dbraw/zinc/07/74/22/252077422.db2.gz JTMSRGWROKNRJA-UHFFFAOYSA-N 1 2 282.344 -1.453 20 0 CAADLO O=C(C[N@H+]1CCNC(=O)CC1)NCC(=O)N1CCCC1 ZINC000073648883 252077427 /nfs/dbraw/zinc/07/74/27/252077427.db2.gz JTMSRGWROKNRJA-UHFFFAOYSA-N 1 2 282.344 -1.453 20 0 CAADLO CC(=O)N1CC(C(=O)NCC[NH+]2CCOCC2)C1 ZINC000070808936 252077489 /nfs/dbraw/zinc/07/74/89/252077489.db2.gz IXQRVTIPBPRUSA-UHFFFAOYSA-N 1 2 255.318 -1.087 20 0 CAADLO NS(=O)(=O)N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC000075658375 252077738 /nfs/dbraw/zinc/07/77/38/252077738.db2.gz YVAZBKKKPRTNQJ-UHFFFAOYSA-N 1 2 290.389 -1.180 20 0 CAADLO NS(=O)(=O)N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC000075658375 252077742 /nfs/dbraw/zinc/07/77/42/252077742.db2.gz YVAZBKKKPRTNQJ-UHFFFAOYSA-N 1 2 290.389 -1.180 20 0 CAADLO CC(=O)NCC(=O)N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC000073419708 252078395 /nfs/dbraw/zinc/07/83/95/252078395.db2.gz FPVVSVQRAGZPPR-JTQLQIEISA-N 1 2 296.371 -1.066 20 0 CAADLO CN1CC[N@H+](C)C[C@H]1CNS(=O)(=O)c1c[nH]cn1 ZINC000070418001 252078743 /nfs/dbraw/zinc/07/87/43/252078743.db2.gz UOOLTLIKRCALDI-SECBINFHSA-N 1 2 273.362 -1.066 20 0 CAADLO CN1CC[N@@H+](C)C[C@H]1CNS(=O)(=O)c1c[nH]cn1 ZINC000070418001 252078750 /nfs/dbraw/zinc/07/87/50/252078750.db2.gz UOOLTLIKRCALDI-SECBINFHSA-N 1 2 273.362 -1.066 20 0 CAADLO COC(=O)[C@@H]1C[C@@H]1C(=O)NC[C@H](O)C[NH+]1CCOCC1 ZINC000342529265 252125351 /nfs/dbraw/zinc/12/53/51/252125351.db2.gz OMMQBDIVLZYSID-GARJFASQSA-N 1 2 286.328 -1.395 20 0 CAADLO C[C@H](CNC(=O)CCNC(N)=O)[NH+]1CCOCC1 ZINC000073807081 252078785 /nfs/dbraw/zinc/07/87/85/252078785.db2.gz VREUDZUJBDALCD-SECBINFHSA-N 1 2 258.322 -1.118 20 0 CAADLO CC(=O)N1CCN(C(=O)C[N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000072817754 252079125 /nfs/dbraw/zinc/07/91/25/252079125.db2.gz WTBUEOCMTCACDJ-NSHDSACASA-N 1 2 282.344 -1.373 20 0 CAADLO CC(=O)N1CCN(C(=O)C[N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000072817754 252079131 /nfs/dbraw/zinc/07/91/31/252079131.db2.gz WTBUEOCMTCACDJ-NSHDSACASA-N 1 2 282.344 -1.373 20 0 CAADLO COCCNC(=O)CNC(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000262922886 252079841 /nfs/dbraw/zinc/07/98/41/252079841.db2.gz HCVGQJVIVKEWKI-SSDOTTSWSA-N 1 2 265.260 -1.138 20 0 CAADLO NC(=O)[C@@H]1CN(C(=O)[C@@H]2CC(F)(F)C[NH2+]2)CCO1 ZINC000263065341 252079879 /nfs/dbraw/zinc/07/98/79/252079879.db2.gz VVYMXWLUJFZYEU-BQBZGAKWSA-N 1 2 263.244 -1.304 20 0 CAADLO O=C(NCCN1C(=O)CNC1=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000263313295 252080466 /nfs/dbraw/zinc/08/04/66/252080466.db2.gz ZAOJYBIKQLFAAP-LURJTMIESA-N 1 2 276.243 -1.348 20 0 CAADLO CC[NH+]1CCN(C(=O)C(=O)NC[C@H]2COCCO2)CC1 ZINC000342674364 252127334 /nfs/dbraw/zinc/12/73/34/252127334.db2.gz UNDYPIHKYLDHHR-NSHDSACASA-N 1 2 285.344 -1.318 20 0 CAADLO C[C@H](C(=O)NC(N)=O)[N@@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000342485570 252125443 /nfs/dbraw/zinc/12/54/43/252125443.db2.gz WDOUSJJXWWVFGJ-RNFRBKRXSA-N 1 2 278.334 -1.807 20 0 CAADLO C[C@H](C(=O)NC(N)=O)[N@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000342485570 252125446 /nfs/dbraw/zinc/12/54/46/252125446.db2.gz WDOUSJJXWWVFGJ-RNFRBKRXSA-N 1 2 278.334 -1.807 20 0 CAADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)N1CCNC(=O)C1 ZINC000283758634 252084600 /nfs/dbraw/zinc/08/46/00/252084600.db2.gz BALZKOVWYYDZJZ-VIFPVBQESA-N 1 2 279.300 -1.654 20 0 CAADLO C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)N1CCNC(=O)[C@H]1C ZINC000283845625 252084847 /nfs/dbraw/zinc/08/48/47/252084847.db2.gz KDEBOPFUTFMKRW-NXEZZACHSA-N 1 2 293.327 -1.265 20 0 CAADLO C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)N1CCNC(=O)C1 ZINC000283758632 252085932 /nfs/dbraw/zinc/08/59/32/252085932.db2.gz BALZKOVWYYDZJZ-SECBINFHSA-N 1 2 279.300 -1.654 20 0 CAADLO CCN1CCN(CC(=O)NCCn2cc[nH+]c2)C(=O)C1=O ZINC000298908796 252087057 /nfs/dbraw/zinc/08/70/57/252087057.db2.gz CEHNXOIXAOYIJK-UHFFFAOYSA-N 1 2 293.327 -1.310 20 0 CAADLO COCCOCC[NH+]1CCN(S(N)(=O)=O)CC1 ZINC000352442228 252139007 /nfs/dbraw/zinc/13/90/07/252139007.db2.gz MKUARNVYUYFPOM-UHFFFAOYSA-N 1 2 267.351 -1.530 20 0 CAADLO CC[N@@H+]1CCO[C@H](C(=O)NCc2n[nH]c(=O)[nH]2)C1 ZINC000354495120 252139941 /nfs/dbraw/zinc/13/99/41/252139941.db2.gz NTTNSLRAVBDOEV-ZETCQYMHSA-N 1 2 255.278 -1.153 20 0 CAADLO CC[N@H+]1CCO[C@H](C(=O)NCc2n[nH]c(=O)[nH]2)C1 ZINC000354495120 252139944 /nfs/dbraw/zinc/13/99/44/252139944.db2.gz NTTNSLRAVBDOEV-ZETCQYMHSA-N 1 2 255.278 -1.153 20 0 CAADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)NCCC(N)=O ZINC000356202265 252140643 /nfs/dbraw/zinc/14/06/43/252140643.db2.gz GNIFRXJIIMABSH-SECBINFHSA-N 1 2 258.322 -1.118 20 0 CAADLO C[C@@H]1COCC[N@H+]1CCNC(=O)NCCC(N)=O ZINC000356202265 252140645 /nfs/dbraw/zinc/14/06/45/252140645.db2.gz GNIFRXJIIMABSH-SECBINFHSA-N 1 2 258.322 -1.118 20 0 CAADLO O=S(=O)(NC[C@H]1C[NH+]2CCN1CC2)NC1CC1 ZINC000356492986 252141085 /nfs/dbraw/zinc/14/10/85/252141085.db2.gz WYRISMRPJRSGBY-JTQLQIEISA-N 1 2 260.363 -1.427 20 0 CAADLO O=C(NC(CO)CO)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC000356244760 252141998 /nfs/dbraw/zinc/14/19/98/252141998.db2.gz PPNWOJPUJDBRPC-LBPRGKRZSA-N 1 2 272.345 -1.043 20 0 CAADLO O=C(NC(CO)CO)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC000356244760 252142000 /nfs/dbraw/zinc/14/20/00/252142000.db2.gz PPNWOJPUJDBRPC-LBPRGKRZSA-N 1 2 272.345 -1.043 20 0 CAADLO O=C(C(=O)N1CC[NH+]([C@H]2COC[C@@H]2O)CC1)N1CCCC1 ZINC000361293867 252171759 /nfs/dbraw/zinc/17/17/59/252171759.db2.gz BALLFEYZCIROTJ-RYUDHWBXSA-N 1 2 297.355 -1.487 20 0 CAADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)N1C[C@H](O)C[C@H]1CO ZINC000361399114 252171814 /nfs/dbraw/zinc/17/18/14/252171814.db2.gz CRWHEHFGNVIYOX-GRYCIOLGSA-N 1 2 287.360 -1.156 20 0 CAADLO C[C@@H]1COCC[N@H+]1CCNC(=O)N1C[C@H](O)C[C@H]1CO ZINC000361399114 252171817 /nfs/dbraw/zinc/17/18/17/252171817.db2.gz CRWHEHFGNVIYOX-GRYCIOLGSA-N 1 2 287.360 -1.156 20 0 CAADLO CC[N@@H+]1CCOC[C@@H]1C(=O)NCCCn1cc(CO)nn1 ZINC000356677347 252143820 /nfs/dbraw/zinc/14/38/20/252143820.db2.gz WCWQDNFONPQLTI-GFCCVEGCSA-N 1 2 297.359 -1.003 20 0 CAADLO CC[N@H+]1CCOC[C@@H]1C(=O)NCCCn1cc(CO)nn1 ZINC000356677347 252143824 /nfs/dbraw/zinc/14/38/24/252143824.db2.gz WCWQDNFONPQLTI-GFCCVEGCSA-N 1 2 297.359 -1.003 20 0 CAADLO CC[N@@H+]1CCOC[C@H]1C(=O)NCCCn1cc(CO)nn1 ZINC000356677348 252144492 /nfs/dbraw/zinc/14/44/92/252144492.db2.gz WCWQDNFONPQLTI-LBPRGKRZSA-N 1 2 297.359 -1.003 20 0 CAADLO CC[N@H+]1CCOC[C@H]1C(=O)NCCCn1cc(CO)nn1 ZINC000356677348 252144496 /nfs/dbraw/zinc/14/44/96/252144496.db2.gz WCWQDNFONPQLTI-LBPRGKRZSA-N 1 2 297.359 -1.003 20 0 CAADLO CCNS(=O)(=O)[C@H]1CC[N@@H+]([C@H](C)C(=O)NC(N)=O)C1 ZINC000356983076 252145080 /nfs/dbraw/zinc/14/50/80/252145080.db2.gz UCTFFMVBCUKVSS-SFYZADRCSA-N 1 2 292.361 -1.417 20 0 CAADLO CCNS(=O)(=O)[C@H]1CC[N@H+]([C@H](C)C(=O)NC(N)=O)C1 ZINC000356983076 252145081 /nfs/dbraw/zinc/14/50/81/252145081.db2.gz UCTFFMVBCUKVSS-SFYZADRCSA-N 1 2 292.361 -1.417 20 0 CAADLO CCNS(=O)(=O)[C@@H]1CC[N@@H+]([C@@H](C)C(=O)NC(N)=O)C1 ZINC000356983073 252146280 /nfs/dbraw/zinc/14/62/80/252146280.db2.gz UCTFFMVBCUKVSS-JGVFFNPUSA-N 1 2 292.361 -1.417 20 0 CAADLO CCNS(=O)(=O)[C@@H]1CC[N@H+]([C@@H](C)C(=O)NC(N)=O)C1 ZINC000356983073 252146284 /nfs/dbraw/zinc/14/62/84/252146284.db2.gz UCTFFMVBCUKVSS-JGVFFNPUSA-N 1 2 292.361 -1.417 20 0 CAADLO CCNS(=O)(=O)[C@@H]1CC[N@@H+]([C@H](C)C(=O)NC(N)=O)C1 ZINC000356983044 252146486 /nfs/dbraw/zinc/14/64/86/252146486.db2.gz UCTFFMVBCUKVSS-HTQZYQBOSA-N 1 2 292.361 -1.417 20 0 CAADLO CCNS(=O)(=O)[C@@H]1CC[N@H+]([C@H](C)C(=O)NC(N)=O)C1 ZINC000356983044 252146488 /nfs/dbraw/zinc/14/64/88/252146488.db2.gz UCTFFMVBCUKVSS-HTQZYQBOSA-N 1 2 292.361 -1.417 20 0 CAADLO NC(=O)c1cncc(NCCC[N@@H+]2CCNC(=O)C2)n1 ZINC000357259204 252147562 /nfs/dbraw/zinc/14/75/62/252147562.db2.gz PSBWYRWDRVETCE-UHFFFAOYSA-N 1 2 278.316 -1.191 20 0 CAADLO NC(=O)c1cncc(NCCC[N@H+]2CCNC(=O)C2)n1 ZINC000357259204 252147566 /nfs/dbraw/zinc/14/75/66/252147566.db2.gz PSBWYRWDRVETCE-UHFFFAOYSA-N 1 2 278.316 -1.191 20 0 CAADLO COC(=O)[C@@H]1CNC(=O)CN1C(=O)CCc1c[nH+]c[nH]1 ZINC000357151495 252148358 /nfs/dbraw/zinc/14/83/58/252148358.db2.gz KXDRREYAVSTFHV-VIFPVBQESA-N 1 2 280.284 -1.158 20 0 CAADLO COC(=O)[C@@H]1CNC(=O)CN1C(=O)CCc1c[nH]c[nH+]1 ZINC000357151495 252148360 /nfs/dbraw/zinc/14/83/60/252148360.db2.gz KXDRREYAVSTFHV-VIFPVBQESA-N 1 2 280.284 -1.158 20 0 CAADLO CC(C)Nc1nc(NCCO)[nH+]c(NC[C@@H](O)C(C)C)n1 ZINC000357523506 252149392 /nfs/dbraw/zinc/14/93/92/252149392.db2.gz AWVOKWFKKJPQSW-SNVBAGLBSA-N 1 2 298.391 -1.209 20 0 CAADLO CC(C)Nc1nc(NC[C@@H](O)C(C)C)nc(NCCO)[nH+]1 ZINC000357523506 252149399 /nfs/dbraw/zinc/14/93/99/252149399.db2.gz AWVOKWFKKJPQSW-SNVBAGLBSA-N 1 2 298.391 -1.209 20 0 CAADLO CC(C)Nc1nc(NCCO)nc(NC[C@@H](O)C(C)C)[nH+]1 ZINC000357523506 252149402 /nfs/dbraw/zinc/14/94/02/252149402.db2.gz AWVOKWFKKJPQSW-SNVBAGLBSA-N 1 2 298.391 -1.209 20 0 CAADLO CCOCCNC(=O)C[N@@H+]1CC[C@@H](S(N)(=O)=O)C1 ZINC000357372896 252149416 /nfs/dbraw/zinc/14/94/16/252149416.db2.gz KHORFJPISLWTLU-SECBINFHSA-N 1 2 279.362 -1.498 20 0 CAADLO CCOCCNC(=O)C[N@H+]1CC[C@@H](S(N)(=O)=O)C1 ZINC000357372896 252149420 /nfs/dbraw/zinc/14/94/20/252149420.db2.gz KHORFJPISLWTLU-SECBINFHSA-N 1 2 279.362 -1.498 20 0 CAADLO C[C@H]1C[N@H+](Cc2nc3c([nH]2)n(C)c(=O)n(C)c3=O)C[C@H]1O ZINC000357614231 252149561 /nfs/dbraw/zinc/14/95/61/252149561.db2.gz JBLHZIMPZWJBSI-JGVFFNPUSA-N 1 2 293.327 -1.227 20 0 CAADLO C[C@H]1C[N@@H+](Cc2nc3c([nH]2)n(C)c(=O)n(C)c3=O)C[C@H]1O ZINC000357614231 252149566 /nfs/dbraw/zinc/14/95/66/252149566.db2.gz JBLHZIMPZWJBSI-JGVFFNPUSA-N 1 2 293.327 -1.227 20 0 CAADLO C[C@@H]1C[N@H+](Cc2nc3c([nH]2)n(C)c(=O)n(C)c3=O)C[C@H]1O ZINC000357614226 252150522 /nfs/dbraw/zinc/15/05/22/252150522.db2.gz JBLHZIMPZWJBSI-HTQZYQBOSA-N 1 2 293.327 -1.227 20 0 CAADLO C[C@@H]1C[N@@H+](Cc2nc3c([nH]2)n(C)c(=O)n(C)c3=O)C[C@H]1O ZINC000357614226 252150524 /nfs/dbraw/zinc/15/05/24/252150524.db2.gz JBLHZIMPZWJBSI-HTQZYQBOSA-N 1 2 293.327 -1.227 20 0 CAADLO O=C(NC1CC1)C(=O)N1CC[NH+](CCOCCO)CC1 ZINC000357753521 252151798 /nfs/dbraw/zinc/15/17/98/252151798.db2.gz LQLKLOYFSZMBII-UHFFFAOYSA-N 1 2 285.344 -1.582 20 0 CAADLO CC(C)NC(=O)C[N@H+](C)CC(=O)NCCOCCO ZINC000357880061 252153586 /nfs/dbraw/zinc/15/35/86/252153586.db2.gz NAIGMQRMXCKIHL-UHFFFAOYSA-N 1 2 275.349 -1.432 20 0 CAADLO CC(C)NC(=O)C[N@@H+](C)CC(=O)NCCOCCO ZINC000357880061 252153589 /nfs/dbraw/zinc/15/35/89/252153589.db2.gz NAIGMQRMXCKIHL-UHFFFAOYSA-N 1 2 275.349 -1.432 20 0 CAADLO C[C@H]1CS(=O)(=O)CCN1C(=O)CN1CC[NH2+]CC1=O ZINC000357942968 252153677 /nfs/dbraw/zinc/15/36/77/252153677.db2.gz VCFULNKJLZTJSH-VIFPVBQESA-N 1 2 289.357 -1.936 20 0 CAADLO NC(=O)NC(=O)CCC[NH+]1CCN(S(N)(=O)=O)CC1 ZINC000358511360 252155159 /nfs/dbraw/zinc/15/51/59/252155159.db2.gz RDYPXSXPKWANIS-UHFFFAOYSA-N 1 2 293.349 -2.217 20 0 CAADLO C[C@@H]1CN(S(=O)(=O)c2cnnn2C)CC[N@@H+]1CCO ZINC000358902885 252157374 /nfs/dbraw/zinc/15/73/74/252157374.db2.gz MENWGXVGCLQWJC-SECBINFHSA-N 1 2 289.361 -1.498 20 0 CAADLO C[C@@H]1CN(S(=O)(=O)c2cnnn2C)CC[N@H+]1CCO ZINC000358902885 252157377 /nfs/dbraw/zinc/15/73/77/252157377.db2.gz MENWGXVGCLQWJC-SECBINFHSA-N 1 2 289.361 -1.498 20 0 CAADLO O=C(CNC(=O)NCC[NH+]1CCOCC1)NCC(F)F ZINC000359165639 252159437 /nfs/dbraw/zinc/15/94/37/252159437.db2.gz IJTNBJSGCOLNMM-UHFFFAOYSA-N 1 2 294.302 -1.001 20 0 CAADLO C[C@H](C(=O)N1CCOCC1)[NH+]1CCN(C(N)=O)CC1 ZINC000359360929 252160890 /nfs/dbraw/zinc/16/08/90/252160890.db2.gz MZQLUZLSKYSSOP-SNVBAGLBSA-N 1 2 270.333 -1.070 20 0 CAADLO Cc1nc(NCC(=O)N(C)C)nc(NCC(=O)N(C)C)[nH+]1 ZINC000359328810 252161119 /nfs/dbraw/zinc/16/11/19/252161119.db2.gz DFVNCVYGZUUELP-UHFFFAOYSA-N 1 2 295.347 -1.976 20 0 CAADLO CNC(=O)NC(=O)C[N@@H+]1CCC[C@@H](S(N)(=O)=O)C1 ZINC000359514158 252161358 /nfs/dbraw/zinc/16/13/58/252161358.db2.gz JPEUOHRCFHVZMB-SSDOTTSWSA-N 1 2 278.334 -1.805 20 0 CAADLO CNC(=O)NC(=O)C[N@H+]1CCC[C@@H](S(N)(=O)=O)C1 ZINC000359514158 252161363 /nfs/dbraw/zinc/16/13/63/252161363.db2.gz JPEUOHRCFHVZMB-SSDOTTSWSA-N 1 2 278.334 -1.805 20 0 CAADLO C[N@@H+]1CCO[C@@H]2CN(C(=O)CN3CN=NC3=O)C[C@H]21 ZINC000359783052 252162674 /nfs/dbraw/zinc/16/26/74/252162674.db2.gz AUZFPAKMQDYQRH-RKDXNWHRSA-N 1 2 267.289 -1.475 20 0 CAADLO C[N@H+]1CCO[C@@H]2CN(C(=O)CN3CN=NC3=O)C[C@H]21 ZINC000359783052 252162677 /nfs/dbraw/zinc/16/26/77/252162677.db2.gz AUZFPAKMQDYQRH-RKDXNWHRSA-N 1 2 267.289 -1.475 20 0 CAADLO Cc1nc(N[C@H](C)CC(N)=O)nc(N[C@@H](C)CC(N)=O)[nH+]1 ZINC000359598972 252162681 /nfs/dbraw/zinc/16/26/81/252162681.db2.gz DIMYLOOQIWMGCK-KNVOCYPGSA-N 1 2 295.347 -1.625 20 0 CAADLO Cc1nc(N[C@@H](C)CC(N)=O)nc(N[C@H](C)CC(N)=O)[nH+]1 ZINC000359598972 252162683 /nfs/dbraw/zinc/16/26/83/252162683.db2.gz DIMYLOOQIWMGCK-KNVOCYPGSA-N 1 2 295.347 -1.625 20 0 CAADLO CNC(=O)[C@@H]1C[N@@H+]([C@@H](C)C(=O)NCCCOC)CCO1 ZINC000359628540 252162820 /nfs/dbraw/zinc/16/28/20/252162820.db2.gz ACWOBCNPDFQTKB-QWRGUYRKSA-N 1 2 287.360 -1.026 20 0 CAADLO CNC(=O)[C@@H]1C[N@H+]([C@@H](C)C(=O)NCCCOC)CCO1 ZINC000359628540 252162822 /nfs/dbraw/zinc/16/28/22/252162822.db2.gz ACWOBCNPDFQTKB-QWRGUYRKSA-N 1 2 287.360 -1.026 20 0 CAADLO C[N@@H+]1CCO[C@H]2CN(C(=O)CN3CN=NC3=O)C[C@@H]21 ZINC000359783050 252163098 /nfs/dbraw/zinc/16/30/98/252163098.db2.gz AUZFPAKMQDYQRH-IUCAKERBSA-N 1 2 267.289 -1.475 20 0 CAADLO C[N@H+]1CCO[C@H]2CN(C(=O)CN3CN=NC3=O)C[C@@H]21 ZINC000359783050 252163104 /nfs/dbraw/zinc/16/31/04/252163104.db2.gz AUZFPAKMQDYQRH-IUCAKERBSA-N 1 2 267.289 -1.475 20 0 CAADLO CNC(=O)[C@H]1C[N@@H+]([C@H](C)C(=O)NCCCOC)CCO1 ZINC000359628537 252163127 /nfs/dbraw/zinc/16/31/27/252163127.db2.gz ACWOBCNPDFQTKB-GHMZBOCLSA-N 1 2 287.360 -1.026 20 0 CAADLO CNC(=O)[C@H]1C[N@H+]([C@H](C)C(=O)NCCCOC)CCO1 ZINC000359628537 252163130 /nfs/dbraw/zinc/16/31/30/252163130.db2.gz ACWOBCNPDFQTKB-GHMZBOCLSA-N 1 2 287.360 -1.026 20 0 CAADLO O=C(CNC(=O)C(=O)NC1CC1)NCC[NH+]1CCOCC1 ZINC000360214819 252166877 /nfs/dbraw/zinc/16/68/77/252166877.db2.gz XSASIUXJNPIGKB-UHFFFAOYSA-N 1 2 298.343 -2.170 20 0 CAADLO CCOCCNC(=O)C[N@@H+]1CC[C@@H](NC(N)=O)C1 ZINC000342872585 252128283 /nfs/dbraw/zinc/12/82/83/252128283.db2.gz DBQCLNAHMANDOI-SECBINFHSA-N 1 2 258.322 -1.118 20 0 CAADLO CCOCCNC(=O)C[N@H+]1CC[C@@H](NC(N)=O)C1 ZINC000342872585 252128287 /nfs/dbraw/zinc/12/82/87/252128287.db2.gz DBQCLNAHMANDOI-SECBINFHSA-N 1 2 258.322 -1.118 20 0 CAADLO C[C@@H]1C(=O)NCCN1C(=O)C(=O)NCc1[nH+]ccn1C ZINC000342964306 252128388 /nfs/dbraw/zinc/12/83/88/252128388.db2.gz DKRUVMGCYYTJTG-MRVPVSSYSA-N 1 2 279.300 -1.617 20 0 CAADLO CC(C)Nc1nc(N[C@@H](C)C[C@H](C)O)nc(NCCO)[nH+]1 ZINC000342830730 252128536 /nfs/dbraw/zinc/12/85/36/252128536.db2.gz KKSNDRKGXRGLRZ-UWVGGRQHSA-N 1 2 298.391 -1.067 20 0 CAADLO CC(C)Nc1nc(NCCO)[nH+]c(N[C@@H](C)C[C@H](C)O)n1 ZINC000342830730 252128542 /nfs/dbraw/zinc/12/85/42/252128542.db2.gz KKSNDRKGXRGLRZ-UWVGGRQHSA-N 1 2 298.391 -1.067 20 0 CAADLO CC(C)Nc1nc(NCCO)nc(N[C@@H](C)C[C@H](C)O)[nH+]1 ZINC000342830730 252128546 /nfs/dbraw/zinc/12/85/46/252128546.db2.gz KKSNDRKGXRGLRZ-UWVGGRQHSA-N 1 2 298.391 -1.067 20 0 CAADLO CC(C)Nc1nc(N(C)C2CC(O)C2)nc(NCCO)[nH+]1 ZINC000342846987 252128654 /nfs/dbraw/zinc/12/86/54/252128654.db2.gz FQZMOIIHTOECKV-UHFFFAOYSA-N 1 2 296.375 -1.101 20 0 CAADLO CC(C)Nc1nc(NCCO)[nH+]c(N(C)C2CC(O)C2)n1 ZINC000342846987 252128658 /nfs/dbraw/zinc/12/86/58/252128658.db2.gz FQZMOIIHTOECKV-UHFFFAOYSA-N 1 2 296.375 -1.101 20 0 CAADLO CC(C)Nc1nc(NCCO)nc(N(C)C2CC(O)C2)[nH+]1 ZINC000342846987 252128662 /nfs/dbraw/zinc/12/86/62/252128662.db2.gz FQZMOIIHTOECKV-UHFFFAOYSA-N 1 2 296.375 -1.101 20 0 CAADLO CC(C)(C)NC(=O)CNC(=O)C[N@@H+]1CC[C@@H](NC(N)=O)C1 ZINC000342873794 252128754 /nfs/dbraw/zinc/12/87/54/252128754.db2.gz XUZUXLIVDOLMRB-SECBINFHSA-N 1 2 299.375 -1.240 20 0 CAADLO CC(C)(C)NC(=O)CNC(=O)C[N@H+]1CC[C@@H](NC(N)=O)C1 ZINC000342873794 252128758 /nfs/dbraw/zinc/12/87/58/252128758.db2.gz XUZUXLIVDOLMRB-SECBINFHSA-N 1 2 299.375 -1.240 20 0 CAADLO CCCNC(=O)CN(C)C(=O)C[N@@H+]1CC[C@H](NC(N)=O)C1 ZINC000342871215 252129028 /nfs/dbraw/zinc/12/90/28/252129028.db2.gz CVAYBKYMSOWIQN-JTQLQIEISA-N 1 2 299.375 -1.286 20 0 CAADLO CCCNC(=O)CN(C)C(=O)C[N@H+]1CC[C@H](NC(N)=O)C1 ZINC000342871215 252129032 /nfs/dbraw/zinc/12/90/32/252129032.db2.gz CVAYBKYMSOWIQN-JTQLQIEISA-N 1 2 299.375 -1.286 20 0 CAADLO CC(C)Nc1nc(N[C@@H]2CCOC2)nc(NCCO)[nH+]1 ZINC000342779567 252129315 /nfs/dbraw/zinc/12/93/15/252129315.db2.gz KVFDRWPOHLYUIR-SECBINFHSA-N 1 2 282.348 -1.437 20 0 CAADLO CC(C)Nc1nc(NCCO)[nH+]c(N[C@@H]2CCOC2)n1 ZINC000342779567 252129320 /nfs/dbraw/zinc/12/93/20/252129320.db2.gz KVFDRWPOHLYUIR-SECBINFHSA-N 1 2 282.348 -1.437 20 0 CAADLO CC(C)Nc1nc(NCCO)nc(N[C@@H]2CCOC2)[nH+]1 ZINC000342779567 252129322 /nfs/dbraw/zinc/12/93/22/252129322.db2.gz KVFDRWPOHLYUIR-SECBINFHSA-N 1 2 282.348 -1.437 20 0 CAADLO CCNC(=O)NC(=O)C[N@@H+]1CC[C@@H](NC(N)=O)C1 ZINC000342868741 252129573 /nfs/dbraw/zinc/12/95/73/252129573.db2.gz QNEQKBLAYMLMEA-SSDOTTSWSA-N 1 2 257.294 -1.425 20 0 CAADLO CCNC(=O)NC(=O)C[N@H+]1CC[C@@H](NC(N)=O)C1 ZINC000342868741 252129577 /nfs/dbraw/zinc/12/95/77/252129577.db2.gz QNEQKBLAYMLMEA-SSDOTTSWSA-N 1 2 257.294 -1.425 20 0 CAADLO NC(=O)N[C@H]1CC[N@H+](CC(=O)NC(=O)NC2CC2)C1 ZINC000342870308 252130096 /nfs/dbraw/zinc/13/00/96/252130096.db2.gz DGAWMLKVIKPVLX-QMMMGPOBSA-N 1 2 269.305 -1.283 20 0 CAADLO NC(=O)N[C@H]1CC[N@@H+](CC(=O)NC(=O)NC2CC2)C1 ZINC000342870308 252130102 /nfs/dbraw/zinc/13/01/02/252130102.db2.gz DGAWMLKVIKPVLX-QMMMGPOBSA-N 1 2 269.305 -1.283 20 0 CAADLO C[C@H]1C(=O)NCCN1C(=O)C(=O)NCc1[nH+]ccn1C ZINC000342964307 252130208 /nfs/dbraw/zinc/13/02/08/252130208.db2.gz DKRUVMGCYYTJTG-QMMMGPOBSA-N 1 2 279.300 -1.617 20 0 CAADLO COCCCNC(=O)C[N@@H+]1CC[C@H](NC(N)=O)C1 ZINC000342867357 252130273 /nfs/dbraw/zinc/13/02/73/252130273.db2.gz BQKBZXIRZOZYQY-VIFPVBQESA-N 1 2 258.322 -1.118 20 0 CAADLO COCCCNC(=O)C[N@H+]1CC[C@H](NC(N)=O)C1 ZINC000342867357 252130280 /nfs/dbraw/zinc/13/02/80/252130280.db2.gz BQKBZXIRZOZYQY-VIFPVBQESA-N 1 2 258.322 -1.118 20 0 CAADLO Cc1nnc(CN2CC[NH+](CCS(N)(=O)=O)CC2)[nH]1 ZINC000343282081 252131259 /nfs/dbraw/zinc/13/12/59/252131259.db2.gz HRFJXCORLQXWJO-UHFFFAOYSA-N 1 2 288.377 -1.481 20 0 CAADLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)CN3CN=NC3=O)C[C@H]21 ZINC000343288818 252132917 /nfs/dbraw/zinc/13/29/17/252132917.db2.gz ROEZDONJWSRBIJ-NXEZZACHSA-N 1 2 281.316 -1.085 20 0 CAADLO C[N@H+]1CCO[C@@H]2CCN(C(=O)CN3CN=NC3=O)C[C@H]21 ZINC000343288818 252132922 /nfs/dbraw/zinc/13/29/22/252132922.db2.gz ROEZDONJWSRBIJ-NXEZZACHSA-N 1 2 281.316 -1.085 20 0 CAADLO CC[N@@H+]1CCOC[C@H]1C(=O)N1CCN(CC(N)=O)CC1 ZINC000360777912 252170526 /nfs/dbraw/zinc/17/05/26/252170526.db2.gz QWQFZRZALZRZNY-NSHDSACASA-N 1 2 284.360 -1.663 20 0 CAADLO COC(=O)[C@H]1CC[C@@H](C(=O)N2CC[NH+](CCO)CC2)O1 ZINC000352162429 252138325 /nfs/dbraw/zinc/13/83/25/252138325.db2.gz MWWXYXQJEBUCTD-WDEREUQCSA-N 1 2 286.328 -1.157 20 0 CAADLO COC(=O)[C@H](NC(=O)C[N@H+](C)[C@@H]1COC[C@@H]1O)C(C)C ZINC000352115381 252138722 /nfs/dbraw/zinc/13/87/22/252138722.db2.gz KSKMGMVZSSWVJP-JFGNBEQYSA-N 1 2 288.344 -1.008 20 0 CAADLO COC(=O)[C@H](NC(=O)C[N@@H+](C)[C@@H]1COC[C@@H]1O)C(C)C ZINC000352115381 252138725 /nfs/dbraw/zinc/13/87/25/252138725.db2.gz KSKMGMVZSSWVJP-JFGNBEQYSA-N 1 2 288.344 -1.008 20 0 CAADLO CC[N@H+]1CCOC[C@H]1C(=O)N1CCN(CC(N)=O)CC1 ZINC000360777912 252170532 /nfs/dbraw/zinc/17/05/32/252170532.db2.gz QWQFZRZALZRZNY-NSHDSACASA-N 1 2 284.360 -1.663 20 0 CAADLO COCC(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000363544225 252180185 /nfs/dbraw/zinc/18/01/85/252180185.db2.gz BFFRBVHRJSWDPH-LLVKDONJSA-N 1 2 285.344 -1.318 20 0 CAADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)C(=O)NC2CC2)CC1 ZINC000363180758 252180195 /nfs/dbraw/zinc/18/01/95/252180195.db2.gz KOBHMWFZVRFBOE-UHFFFAOYSA-N 1 2 296.371 -1.065 20 0 CAADLO CCNC(=O)C[N@H+]1CCCN(C(=O)C(=O)NC2CC2)CC1 ZINC000363180758 252180197 /nfs/dbraw/zinc/18/01/97/252180197.db2.gz KOBHMWFZVRFBOE-UHFFFAOYSA-N 1 2 296.371 -1.065 20 0 CAADLO CN(CC(=O)NC[C@H]1C[N@H+](C)CCO1)S(C)(=O)=O ZINC000363160909 252180265 /nfs/dbraw/zinc/18/02/65/252180265.db2.gz MNXJJZNNOGERQD-VIFPVBQESA-N 1 2 279.362 -1.675 20 0 CAADLO CN(CC(=O)NC[C@H]1C[N@@H+](C)CCO1)S(C)(=O)=O ZINC000363160909 252180267 /nfs/dbraw/zinc/18/02/67/252180267.db2.gz MNXJJZNNOGERQD-VIFPVBQESA-N 1 2 279.362 -1.675 20 0 CAADLO CONC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000363609898 252180334 /nfs/dbraw/zinc/18/03/34/252180334.db2.gz CMDKFPXWYWMKRC-JTQLQIEISA-N 1 2 271.317 -1.155 20 0 CAADLO CNC(=O)NC(=O)C[N@@H+]1CCC[C@H](S(=O)(=O)NC)C1 ZINC000365283564 252181864 /nfs/dbraw/zinc/18/18/64/252181864.db2.gz RKSIWJAMYDMSLZ-QMMMGPOBSA-N 1 2 292.361 -1.544 20 0 CAADLO CNC(=O)NC(=O)C[N@H+]1CCC[C@H](S(=O)(=O)NC)C1 ZINC000365283564 252181867 /nfs/dbraw/zinc/18/18/67/252181867.db2.gz RKSIWJAMYDMSLZ-QMMMGPOBSA-N 1 2 292.361 -1.544 20 0 CAADLO CNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2CCC(=O)N2)CC1 ZINC000364026137 252182142 /nfs/dbraw/zinc/18/21/42/252182142.db2.gz STDIXHBLUMLUOT-JTQLQIEISA-N 1 2 282.344 -1.455 20 0 CAADLO CNC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2CCC(=O)N2)CC1 ZINC000364026137 252182147 /nfs/dbraw/zinc/18/21/47/252182147.db2.gz STDIXHBLUMLUOT-JTQLQIEISA-N 1 2 282.344 -1.455 20 0 CAADLO CNC(=O)NC(=O)C[N@@H+]1CCC[C@@H](S(=O)(=O)NC)C1 ZINC000365283563 252182200 /nfs/dbraw/zinc/18/22/00/252182200.db2.gz RKSIWJAMYDMSLZ-MRVPVSSYSA-N 1 2 292.361 -1.544 20 0 CAADLO CNC(=O)NC(=O)C[N@H+]1CCC[C@@H](S(=O)(=O)NC)C1 ZINC000365283563 252182204 /nfs/dbraw/zinc/18/22/04/252182204.db2.gz RKSIWJAMYDMSLZ-MRVPVSSYSA-N 1 2 292.361 -1.544 20 0 CAADLO Cc1nc(=NC(=O)[C@@H]2C[N@@H+]3CCN2CCC3)n(C)[nH]1 ZINC000368283095 252185222 /nfs/dbraw/zinc/18/52/22/252185222.db2.gz IKAWJHSJVWUZMY-JTQLQIEISA-N 1 2 264.333 -1.126 20 0 CAADLO Cc1nc(=NC(=O)[C@@H]2C[N@H+]3CCN2CCC3)n(C)[nH]1 ZINC000368283095 252185226 /nfs/dbraw/zinc/18/52/26/252185226.db2.gz IKAWJHSJVWUZMY-JTQLQIEISA-N 1 2 264.333 -1.126 20 0 CAADLO CNC(=O)NC(=O)C[N@@H+]1CCN2CCOC[C@H]2C1 ZINC000368211876 252183236 /nfs/dbraw/zinc/18/32/36/252183236.db2.gz JMZZCGJOTBOKIU-SECBINFHSA-N 1 2 256.306 -1.542 20 0 CAADLO CNC(=O)NC(=O)C[N@H+]1CCN2CCOC[C@H]2C1 ZINC000368211876 252183239 /nfs/dbraw/zinc/18/32/39/252183239.db2.gz JMZZCGJOTBOKIU-SECBINFHSA-N 1 2 256.306 -1.542 20 0 CAADLO CCOCCNC(=O)C[N@@H+]1CCC[C@H](S(N)(=O)=O)C1 ZINC000368212546 252183303 /nfs/dbraw/zinc/18/33/03/252183303.db2.gz OVDVGDKSHPMENS-JTQLQIEISA-N 1 2 293.389 -1.108 20 0 CAADLO CCOCCNC(=O)C[N@H+]1CCC[C@H](S(N)(=O)=O)C1 ZINC000368212546 252183305 /nfs/dbraw/zinc/18/33/05/252183305.db2.gz OVDVGDKSHPMENS-JTQLQIEISA-N 1 2 293.389 -1.108 20 0 CAADLO Cn1cnn(CC(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)c1=O ZINC000368013629 252183538 /nfs/dbraw/zinc/18/35/38/252183538.db2.gz BKNDKFUEUPNAMN-LLVKDONJSA-N 1 2 295.343 -1.485 20 0 CAADLO Cn1cnn(CC(=O)N2CC[NH+]([C@H]3CCOC3)CC2)c1=O ZINC000368013641 252183560 /nfs/dbraw/zinc/18/35/60/252183560.db2.gz BKNDKFUEUPNAMN-NSHDSACASA-N 1 2 295.343 -1.485 20 0 CAADLO CNC(=O)NC(=O)C[N@@H+]1CCN2CCOC[C@@H]2C1 ZINC000368211877 252184044 /nfs/dbraw/zinc/18/40/44/252184044.db2.gz JMZZCGJOTBOKIU-VIFPVBQESA-N 1 2 256.306 -1.542 20 0 CAADLO CNC(=O)NC(=O)C[N@H+]1CCN2CCOC[C@@H]2C1 ZINC000368211877 252184047 /nfs/dbraw/zinc/18/40/47/252184047.db2.gz JMZZCGJOTBOKIU-VIFPVBQESA-N 1 2 256.306 -1.542 20 0 CAADLO CC(C)NS(=O)(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000367928363 252184580 /nfs/dbraw/zinc/18/45/80/252184580.db2.gz FNALNUHCUNYTDW-SNVBAGLBSA-N 1 2 262.379 -1.181 20 0 CAADLO C[C@H](C[NH+]1CCOCC1)NC(=O)N1C[C@H](O)C[C@H]1CO ZINC000361348360 252172835 /nfs/dbraw/zinc/17/28/35/252172835.db2.gz JXOLJVIDISMZNP-GRYCIOLGSA-N 1 2 287.360 -1.156 20 0 CAADLO C[C@H](CC(N)=O)NC(=O)NCC[NH+]1CCOCC1 ZINC000361864213 252173663 /nfs/dbraw/zinc/17/36/63/252173663.db2.gz WLONCGZMZSLHLM-SECBINFHSA-N 1 2 258.322 -1.118 20 0 CAADLO O=S(=O)(CCC[NH+]1CCOCC1)NCCOCCO ZINC000361574124 252174147 /nfs/dbraw/zinc/17/41/47/252174147.db2.gz SHABBXDVYBHOFS-UHFFFAOYSA-N 1 2 296.389 -1.363 20 0 CAADLO CNC(=O)CCNS(=O)(=O)CCC[NH+]1CCOCC1 ZINC000361499799 252174851 /nfs/dbraw/zinc/17/48/51/252174851.db2.gz VUDCHKVWADARFX-UHFFFAOYSA-N 1 2 293.389 -1.236 20 0 CAADLO CC[N@@H+]1CCOC[C@H]1C(=O)N1CCN(C(=O)CO)CC1 ZINC000362233794 252176111 /nfs/dbraw/zinc/17/61/11/252176111.db2.gz GBXKXLWZRRLJQQ-NSHDSACASA-N 1 2 285.344 -1.630 20 0 CAADLO CC[N@H+]1CCOC[C@H]1C(=O)N1CCN(C(=O)CO)CC1 ZINC000362233794 252176117 /nfs/dbraw/zinc/17/61/17/252176117.db2.gz GBXKXLWZRRLJQQ-NSHDSACASA-N 1 2 285.344 -1.630 20 0 CAADLO CC(C)NS(=O)(=O)[C@H]1CC[N@H+](CC(=O)NC(N)=O)C1 ZINC000361955808 252176479 /nfs/dbraw/zinc/17/64/79/252176479.db2.gz XIGRCKDNHQOQIR-QMMMGPOBSA-N 1 2 292.361 -1.417 20 0 CAADLO CC(C)NS(=O)(=O)[C@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC000361955808 252176481 /nfs/dbraw/zinc/17/64/81/252176481.db2.gz XIGRCKDNHQOQIR-QMMMGPOBSA-N 1 2 292.361 -1.417 20 0 CAADLO CC(C)NS(=O)(=O)[C@@H]1CC[N@H+](CC(=O)NC(N)=O)C1 ZINC000361955807 252176620 /nfs/dbraw/zinc/17/66/20/252176620.db2.gz XIGRCKDNHQOQIR-MRVPVSSYSA-N 1 2 292.361 -1.417 20 0 CAADLO CC(C)NS(=O)(=O)[C@@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC000361955807 252176622 /nfs/dbraw/zinc/17/66/22/252176622.db2.gz XIGRCKDNHQOQIR-MRVPVSSYSA-N 1 2 292.361 -1.417 20 0 CAADLO CC[N@@H+]1CCOC[C@@H]1C(=O)N1CCN(C(=O)CO)CC1 ZINC000362233787 252176830 /nfs/dbraw/zinc/17/68/30/252176830.db2.gz GBXKXLWZRRLJQQ-LLVKDONJSA-N 1 2 285.344 -1.630 20 0 CAADLO CC[N@H+]1CCOC[C@@H]1C(=O)N1CCN(C(=O)CO)CC1 ZINC000362233787 252176832 /nfs/dbraw/zinc/17/68/32/252176832.db2.gz GBXKXLWZRRLJQQ-LLVKDONJSA-N 1 2 285.344 -1.630 20 0 CAADLO Cc1nc(=NC(=O)[C@H]2C[N@@H+]3CCN2CCC3)n(C)[nH]1 ZINC000368283100 252186064 /nfs/dbraw/zinc/18/60/64/252186064.db2.gz IKAWJHSJVWUZMY-SNVBAGLBSA-N 1 2 264.333 -1.126 20 0 CAADLO Cc1nc(=NC(=O)[C@H]2C[N@H+]3CCN2CCC3)n(C)[nH]1 ZINC000368283100 252186069 /nfs/dbraw/zinc/18/60/69/252186069.db2.gz IKAWJHSJVWUZMY-SNVBAGLBSA-N 1 2 264.333 -1.126 20 0 CAADLO O=C(C[N@@H+]1CCN2CCOC[C@H]2C1)N1CCOCC1 ZINC000368827542 252186326 /nfs/dbraw/zinc/18/63/26/252186326.db2.gz XIGQVZYZLQUUIM-GFCCVEGCSA-N 1 2 269.345 -1.138 20 0 CAADLO O=C(C[N@H+]1CCN2CCOC[C@H]2C1)N1CCOCC1 ZINC000368827542 252186328 /nfs/dbraw/zinc/18/63/28/252186328.db2.gz XIGQVZYZLQUUIM-GFCCVEGCSA-N 1 2 269.345 -1.138 20 0 CAADLO CCOC(=O)CCC[N@@H+]1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC000368450358 252186371 /nfs/dbraw/zinc/18/63/71/252186371.db2.gz IPYSJZYQRBLTSK-JTQLQIEISA-N 1 2 283.328 -1.028 20 0 CAADLO CCOC(=O)CCC[N@H+]1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC000368450358 252186375 /nfs/dbraw/zinc/18/63/75/252186375.db2.gz IPYSJZYQRBLTSK-JTQLQIEISA-N 1 2 283.328 -1.028 20 0 CAADLO CNC(=O)C[N@@H+]1CCCN(C(=O)CN(C)C(C)=O)CC1 ZINC000368839277 252187991 /nfs/dbraw/zinc/18/79/91/252187991.db2.gz SEFUZUDDBJJFRL-UHFFFAOYSA-N 1 2 284.360 -1.255 20 0 CAADLO CNC(=O)C[N@H+]1CCCN(C(=O)CN(C)C(C)=O)CC1 ZINC000368839277 252187995 /nfs/dbraw/zinc/18/79/95/252187995.db2.gz SEFUZUDDBJJFRL-UHFFFAOYSA-N 1 2 284.360 -1.255 20 0 CAADLO COC[C@@H]1C[N@H+](CC(=O)N2CCNC2=O)CCO1 ZINC000369612789 252188105 /nfs/dbraw/zinc/18/81/05/252188105.db2.gz DQEGKYDTNOOSJM-VIFPVBQESA-N 1 2 257.290 -1.115 20 0 CAADLO COC[C@@H]1C[N@@H+](CC(=O)N2CCNC2=O)CCO1 ZINC000369612789 252188107 /nfs/dbraw/zinc/18/81/07/252188107.db2.gz DQEGKYDTNOOSJM-VIFPVBQESA-N 1 2 257.290 -1.115 20 0 CAADLO CNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2CC(=O)N(C)C2)CC1 ZINC000368839991 252188692 /nfs/dbraw/zinc/18/86/92/252188692.db2.gz YDERMHGZWZGLLQ-LLVKDONJSA-N 1 2 296.371 -1.255 20 0 CAADLO CNC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2CC(=O)N(C)C2)CC1 ZINC000368839991 252188695 /nfs/dbraw/zinc/18/86/95/252188695.db2.gz YDERMHGZWZGLLQ-LLVKDONJSA-N 1 2 296.371 -1.255 20 0 CAADLO CCN1C(=O)[C@H]2C[N@H+](CC(=O)NC(=O)NC)CCN2C1=O ZINC000369437279 252188830 /nfs/dbraw/zinc/18/88/30/252188830.db2.gz KFGMYKDGBGNMQO-MRVPVSSYSA-N 1 2 297.315 -1.590 20 0 CAADLO CCN1C(=O)[C@H]2C[N@@H+](CC(=O)NC(=O)NC)CCN2C1=O ZINC000369437279 252188834 /nfs/dbraw/zinc/18/88/34/252188834.db2.gz KFGMYKDGBGNMQO-MRVPVSSYSA-N 1 2 297.315 -1.590 20 0 CAADLO CNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2CCNC(=O)C2)CC1 ZINC000370531272 252189329 /nfs/dbraw/zinc/18/93/29/252189329.db2.gz NHDTZTZWGUKDLF-LLVKDONJSA-N 1 2 296.371 -1.207 20 0 CAADLO CNC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2CCNC(=O)C2)CC1 ZINC000370531272 252189331 /nfs/dbraw/zinc/18/93/31/252189331.db2.gz NHDTZTZWGUKDLF-LLVKDONJSA-N 1 2 296.371 -1.207 20 0 CAADLO CC[N@@H+]1CCOC[C@@H]1C(=O)NCCN1C(=O)CNC1=O ZINC000371334660 252191755 /nfs/dbraw/zinc/19/17/55/252191755.db2.gz GSGQKPFCCBDAKW-SECBINFHSA-N 1 2 284.316 -1.625 20 0 CAADLO CC[N@H+]1CCOC[C@@H]1C(=O)NCCN1C(=O)CNC1=O ZINC000371334660 252191759 /nfs/dbraw/zinc/19/17/59/252191759.db2.gz GSGQKPFCCBDAKW-SECBINFHSA-N 1 2 284.316 -1.625 20 0 CAADLO O=C(NCCO)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000370694284 252192225 /nfs/dbraw/zinc/19/22/25/252192225.db2.gz LCNDZZOQAILTJF-NSHDSACASA-N 1 2 285.344 -1.724 20 0 CAADLO CCS(=O)(=O)NCCC[N@@H+]1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000371034168 252192501 /nfs/dbraw/zinc/19/25/01/252192501.db2.gz OCDYOGPDJWSKPC-ZJUUUORDSA-N 1 2 293.389 -1.110 20 0 CAADLO CCS(=O)(=O)NCCC[N@H+]1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000371034168 252192510 /nfs/dbraw/zinc/19/25/10/252192510.db2.gz OCDYOGPDJWSKPC-ZJUUUORDSA-N 1 2 293.389 -1.110 20 0 CAADLO Cn1c(=O)[nH]cc(C(=O)NC[C@@H]2C[NH+]3CCN2CC3)c1=O ZINC000371296171 252192609 /nfs/dbraw/zinc/19/26/09/252192609.db2.gz XKODWECZJUBPOP-SECBINFHSA-N 1 2 293.327 -1.785 20 0 CAADLO NC(=O)Cn1cc(C(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)nn1 ZINC000372334055 252192966 /nfs/dbraw/zinc/19/29/66/252192966.db2.gz PYGRSJIISAHHLH-SSDOTTSWSA-N 1 2 289.299 -1.226 20 0 CAADLO NC(=O)Cn1cc(C(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)nn1 ZINC000372334055 252192971 /nfs/dbraw/zinc/19/29/71/252192971.db2.gz PYGRSJIISAHHLH-SSDOTTSWSA-N 1 2 289.299 -1.226 20 0 CAADLO COC(=O)CNC(=O)C[N@@H+]1CCN2CCOC[C@H]2C1 ZINC000371828437 252193658 /nfs/dbraw/zinc/19/36/58/252193658.db2.gz ILKAVTRWAFLWHD-SNVBAGLBSA-N 1 2 271.317 -1.708 20 0 CAADLO COC(=O)CNC(=O)C[N@H+]1CCN2CCOC[C@H]2C1 ZINC000371828437 252193662 /nfs/dbraw/zinc/19/36/62/252193662.db2.gz ILKAVTRWAFLWHD-SNVBAGLBSA-N 1 2 271.317 -1.708 20 0 CAADLO CNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@H](S(=O)(=O)NC)C1 ZINC000372155347 252194571 /nfs/dbraw/zinc/19/45/71/252194571.db2.gz FBRCVWFJSOGJBC-SFYZADRCSA-N 1 2 292.361 -1.546 20 0 CAADLO CNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@H](S(=O)(=O)NC)C1 ZINC000372155347 252194572 /nfs/dbraw/zinc/19/45/72/252194572.db2.gz FBRCVWFJSOGJBC-SFYZADRCSA-N 1 2 292.361 -1.546 20 0 CAADLO COC(=O)[C@H]1C[C@H]1C(=O)N1CCC[N@H+](CC(N)=O)CC1 ZINC000372562555 252195682 /nfs/dbraw/zinc/19/56/82/252195682.db2.gz FRNHBJOOSBDVOV-ZJUUUORDSA-N 1 2 283.328 -1.185 20 0 CAADLO COC(=O)[C@H]1C[C@H]1C(=O)N1CCC[N@@H+](CC(N)=O)CC1 ZINC000372562555 252195687 /nfs/dbraw/zinc/19/56/87/252195687.db2.gz FRNHBJOOSBDVOV-ZJUUUORDSA-N 1 2 283.328 -1.185 20 0 CAADLO CC(C)OC(=O)CC[N@@H+]1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC000372695891 252195974 /nfs/dbraw/zinc/19/59/74/252195974.db2.gz SORPLNVCGNULIP-SNVBAGLBSA-N 1 2 283.328 -1.029 20 0 CAADLO CC(C)OC(=O)CC[N@H+]1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC000372695891 252195976 /nfs/dbraw/zinc/19/59/76/252195976.db2.gz SORPLNVCGNULIP-SNVBAGLBSA-N 1 2 283.328 -1.029 20 0 CAADLO COCCC[N@@H+]1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 ZINC000372792074 252196085 /nfs/dbraw/zinc/19/60/85/252196085.db2.gz DRYYYBCJFOXUBI-UHFFFAOYSA-N 1 2 297.359 -1.015 20 0 CAADLO COCCC[N@H+]1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 ZINC000372792074 252196086 /nfs/dbraw/zinc/19/60/86/252196086.db2.gz DRYYYBCJFOXUBI-UHFFFAOYSA-N 1 2 297.359 -1.015 20 0 CAADLO CC(C)(O)C(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000372865292 252196620 /nfs/dbraw/zinc/19/66/20/252196620.db2.gz GITSVZVVJYHCBL-LLVKDONJSA-N 1 2 299.371 -1.193 20 0 CAADLO C[C@H]1C[N@H+](CC(=O)N2CCNC(=O)C2)C[C@]2(CCOC2)O1 ZINC000373754564 252197818 /nfs/dbraw/zinc/19/78/18/252197818.db2.gz WZDCLSALENOJJS-FZMZJTMJSA-N 1 2 297.355 -1.175 20 0 CAADLO C[C@H]1C[N@@H+](CC(=O)N2CCNC(=O)C2)C[C@]2(CCOC2)O1 ZINC000373754564 252197819 /nfs/dbraw/zinc/19/78/19/252197819.db2.gz WZDCLSALENOJJS-FZMZJTMJSA-N 1 2 297.355 -1.175 20 0 CAADLO O=C(C1=NN(CCO)C(=O)CC1)N1CC[NH+](CCO)CC1 ZINC000373172339 252198055 /nfs/dbraw/zinc/19/80/55/252198055.db2.gz BLOUKMPERXKADB-UHFFFAOYSA-N 1 2 298.343 -1.906 20 0 CAADLO CC[N@@H+]1CCOC[C@@H]1C(=O)NCCNC(=O)c1ccn[nH]1 ZINC000373303395 252198090 /nfs/dbraw/zinc/19/80/90/252198090.db2.gz PMNSYSQWPCODHB-LLVKDONJSA-N 1 2 295.343 -1.024 20 0 CAADLO CC[N@H+]1CCOC[C@@H]1C(=O)NCCNC(=O)c1ccn[nH]1 ZINC000373303395 252198093 /nfs/dbraw/zinc/19/80/93/252198093.db2.gz PMNSYSQWPCODHB-LLVKDONJSA-N 1 2 295.343 -1.024 20 0 CAADLO C[C@H]1OCC[C@]12C[N@H+](CC(=O)N1CCNC(=O)C1)CCO2 ZINC000373406835 252198373 /nfs/dbraw/zinc/19/83/73/252198373.db2.gz SIPLZSFMTAZBQI-RISCZKNCSA-N 1 2 297.355 -1.175 20 0 CAADLO C[C@H]1OCC[C@]12C[N@@H+](CC(=O)N1CCNC(=O)C1)CCO2 ZINC000373406835 252198378 /nfs/dbraw/zinc/19/83/78/252198378.db2.gz SIPLZSFMTAZBQI-RISCZKNCSA-N 1 2 297.355 -1.175 20 0 CAADLO CN(C)S(=O)(=O)[C@@H]1CCC[N@H+](CC(=O)NC(N)=O)C1 ZINC000375661701 252200887 /nfs/dbraw/zinc/20/08/87/252200887.db2.gz WAYRUAXWMDBHRB-MRVPVSSYSA-N 1 2 292.361 -1.463 20 0 CAADLO CN(C)S(=O)(=O)[C@@H]1CCC[N@@H+](CC(=O)NC(N)=O)C1 ZINC000375661701 252200891 /nfs/dbraw/zinc/20/08/91/252200891.db2.gz WAYRUAXWMDBHRB-MRVPVSSYSA-N 1 2 292.361 -1.463 20 0 CAADLO CNS(=O)(=O)[C@H]1CC[N@H+](CCS(=O)(=O)N(C)C)C1 ZINC000375575877 252201024 /nfs/dbraw/zinc/20/10/24/252201024.db2.gz CITWEEAUVSVFMJ-VIFPVBQESA-N 1 2 299.418 -1.499 20 0 CAADLO CNS(=O)(=O)[C@H]1CC[N@@H+](CCS(=O)(=O)N(C)C)C1 ZINC000375575877 252201027 /nfs/dbraw/zinc/20/10/27/252201027.db2.gz CITWEEAUVSVFMJ-VIFPVBQESA-N 1 2 299.418 -1.499 20 0 CAADLO CNC(=O)C[N@@H+]1CCCN(C(=O)c2cnnn2C)CC1 ZINC000375622461 252201237 /nfs/dbraw/zinc/20/12/37/252201237.db2.gz AZIBGRQTKDFUIT-UHFFFAOYSA-N 1 2 280.332 -1.291 20 0 CAADLO CNC(=O)C[N@H+]1CCCN(C(=O)c2cnnn2C)CC1 ZINC000375622461 252201240 /nfs/dbraw/zinc/20/12/40/252201240.db2.gz AZIBGRQTKDFUIT-UHFFFAOYSA-N 1 2 280.332 -1.291 20 0 CAADLO O=C(C[N@@H+]1CCO[C@]2(CCOC2)C1)N1CCNC(=O)C1 ZINC000375111182 252201642 /nfs/dbraw/zinc/20/16/42/252201642.db2.gz OPKDVNNLJIAALL-CYBMUJFWSA-N 1 2 283.328 -1.564 20 0 CAADLO O=C(C[N@H+]1CCO[C@]2(CCOC2)C1)N1CCNC(=O)C1 ZINC000375111182 252201646 /nfs/dbraw/zinc/20/16/46/252201646.db2.gz OPKDVNNLJIAALL-CYBMUJFWSA-N 1 2 283.328 -1.564 20 0 CAADLO C[C@@H](NC(=O)C[N@@H+]1CCN2CCOC[C@H]2C1)C(=O)N(C)C ZINC000375244411 252202057 /nfs/dbraw/zinc/20/20/57/252202057.db2.gz GEVBBALHLZTCAE-VXGBXAGGSA-N 1 2 298.387 -1.404 20 0 CAADLO C[C@@H](NC(=O)C[N@H+]1CCN2CCOC[C@H]2C1)C(=O)N(C)C ZINC000375244411 252202060 /nfs/dbraw/zinc/20/20/60/252202060.db2.gz GEVBBALHLZTCAE-VXGBXAGGSA-N 1 2 298.387 -1.404 20 0 CAADLO O=C(C[N@@H+]1CCO[C@@]2(CCOC2)C1)N1CCNC(=O)C1 ZINC000375111187 252202109 /nfs/dbraw/zinc/20/21/09/252202109.db2.gz OPKDVNNLJIAALL-ZDUSSCGKSA-N 1 2 283.328 -1.564 20 0 CAADLO O=C(C[N@H+]1CCO[C@@]2(CCOC2)C1)N1CCNC(=O)C1 ZINC000375111187 252202113 /nfs/dbraw/zinc/20/21/13/252202113.db2.gz OPKDVNNLJIAALL-ZDUSSCGKSA-N 1 2 283.328 -1.564 20 0 CAADLO C[C@H](NC(=O)C[N@@H+]1CCN2CCOC[C@H]2C1)C(=O)N(C)C ZINC000375244408 252202168 /nfs/dbraw/zinc/20/21/68/252202168.db2.gz GEVBBALHLZTCAE-NWDGAFQWSA-N 1 2 298.387 -1.404 20 0 CAADLO C[C@H](NC(=O)C[N@H+]1CCN2CCOC[C@H]2C1)C(=O)N(C)C ZINC000375244408 252202170 /nfs/dbraw/zinc/20/21/70/252202170.db2.gz GEVBBALHLZTCAE-NWDGAFQWSA-N 1 2 298.387 -1.404 20 0 CAADLO CCNS(=O)(=O)[C@H]1CC[N@H+](CCNS(C)(=O)=O)C1 ZINC000376811361 252203490 /nfs/dbraw/zinc/20/34/90/252203490.db2.gz PJMFZSNVRYZFSE-VIFPVBQESA-N 1 2 299.418 -1.451 20 0 CAADLO CCNS(=O)(=O)[C@H]1CC[N@@H+](CCNS(C)(=O)=O)C1 ZINC000376811361 252203494 /nfs/dbraw/zinc/20/34/94/252203494.db2.gz PJMFZSNVRYZFSE-VIFPVBQESA-N 1 2 299.418 -1.451 20 0 CAADLO CCOC(=O)[C@@](C)(O)C[N@@H+]1C[C@H](O)C[C@H]1C(=O)OC ZINC000376912191 252203854 /nfs/dbraw/zinc/20/38/54/252203854.db2.gz VJMGJFZCJHQVLS-PTRXPTGYSA-N 1 2 275.301 -1.091 20 0 CAADLO CCOC(=O)[C@@](C)(O)C[N@H+]1C[C@H](O)C[C@H]1C(=O)OC ZINC000376912191 252203857 /nfs/dbraw/zinc/20/38/57/252203857.db2.gz VJMGJFZCJHQVLS-PTRXPTGYSA-N 1 2 275.301 -1.091 20 0 CAADLO CN(C)S(=O)(=O)CC[N@@H+]1CCC[C@H](S(N)(=O)=O)C1 ZINC000375728235 252204423 /nfs/dbraw/zinc/20/44/23/252204423.db2.gz ZCDXDEPLVGZECE-VIFPVBQESA-N 1 2 299.418 -1.369 20 0 CAADLO CN(C)S(=O)(=O)CC[N@H+]1CCC[C@H](S(N)(=O)=O)C1 ZINC000375728235 252204425 /nfs/dbraw/zinc/20/44/25/252204425.db2.gz ZCDXDEPLVGZECE-VIFPVBQESA-N 1 2 299.418 -1.369 20 0 CAADLO CC(C)(C(=O)N1CCO[C@@H](C(N)=O)C1)[NH+]1CCOCC1 ZINC000377789546 252206686 /nfs/dbraw/zinc/20/66/86/252206686.db2.gz PLTKGPQAGOGUNL-SNVBAGLBSA-N 1 2 285.344 -1.190 20 0 CAADLO CNS(=O)(=O)NC1CC[NH+](CC(=O)N2CCC2)CC1 ZINC000408008571 252213481 /nfs/dbraw/zinc/21/34/81/252213481.db2.gz IHKDRLDASGGPSY-UHFFFAOYSA-N 1 2 290.389 -1.263 20 0 CAADLO CC[N@@H+]1CCOC[C@H]1C(=O)N1CCN(C(=O)[C@H](C)O)CC1 ZINC000378437168 252207217 /nfs/dbraw/zinc/20/72/17/252207217.db2.gz FROBZEKTXOJFMI-RYUDHWBXSA-N 1 2 299.371 -1.241 20 0 CAADLO CC[N@H+]1CCOC[C@H]1C(=O)N1CCN(C(=O)[C@H](C)O)CC1 ZINC000378437168 252207223 /nfs/dbraw/zinc/20/72/23/252207223.db2.gz FROBZEKTXOJFMI-RYUDHWBXSA-N 1 2 299.371 -1.241 20 0 CAADLO CC[N@@H+]1CCOC[C@@H]1C(=O)N1CCN(C(=O)[C@H](C)O)CC1 ZINC000378437166 252207447 /nfs/dbraw/zinc/20/74/47/252207447.db2.gz FROBZEKTXOJFMI-NWDGAFQWSA-N 1 2 299.371 -1.241 20 0 CAADLO CC[N@H+]1CCOC[C@@H]1C(=O)N1CCN(C(=O)[C@H](C)O)CC1 ZINC000378437166 252207452 /nfs/dbraw/zinc/20/74/52/252207452.db2.gz FROBZEKTXOJFMI-NWDGAFQWSA-N 1 2 299.371 -1.241 20 0 CAADLO CC(=O)NCC(=O)NCC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000378206003 252207724 /nfs/dbraw/zinc/20/77/24/252207724.db2.gz YQGDXUOYWLQBNK-SECBINFHSA-N 1 2 293.327 -1.365 20 0 CAADLO CC(=O)NCC(=O)NCC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000378206003 252207729 /nfs/dbraw/zinc/20/77/29/252207729.db2.gz YQGDXUOYWLQBNK-SECBINFHSA-N 1 2 293.327 -1.365 20 0 CAADLO O=C(Cc1[nH]c(O)nc1O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000378318389 252207960 /nfs/dbraw/zinc/20/79/60/252207960.db2.gz UOHDFJYBTAIDHJ-MUWHJKNJSA-N 1 2 277.284 -1.019 20 0 CAADLO CC[N@@H+]1CCOC[C@H]1C(=O)N1CCN(C(=O)[C@@H](C)O)CC1 ZINC000378437163 252208518 /nfs/dbraw/zinc/20/85/18/252208518.db2.gz FROBZEKTXOJFMI-NEPJUHHUSA-N 1 2 299.371 -1.241 20 0 CAADLO CC[N@H+]1CCOC[C@H]1C(=O)N1CCN(C(=O)[C@@H](C)O)CC1 ZINC000378437163 252208524 /nfs/dbraw/zinc/20/85/24/252208524.db2.gz FROBZEKTXOJFMI-NEPJUHHUSA-N 1 2 299.371 -1.241 20 0 CAADLO NC(=O)Cn1cc(C(=O)N2CCn3c[nH+]cc3C2)nn1 ZINC000378078148 252208694 /nfs/dbraw/zinc/20/86/94/252208694.db2.gz KMEWYCLTPRTSCJ-UHFFFAOYSA-N 1 2 275.272 -1.384 20 0 CAADLO CNS(=O)(=O)C[C@H]1CCC[N@@H+]1CCNS(C)(=O)=O ZINC000407949099 252209534 /nfs/dbraw/zinc/20/95/34/252209534.db2.gz MDGXKMHJOVCNGJ-SECBINFHSA-N 1 2 299.418 -1.451 20 0 CAADLO CNS(=O)(=O)C[C@H]1CCC[N@H+]1CCNS(C)(=O)=O ZINC000407949099 252209536 /nfs/dbraw/zinc/20/95/36/252209536.db2.gz MDGXKMHJOVCNGJ-SECBINFHSA-N 1 2 299.418 -1.451 20 0 CAADLO C[C@@H](O)C[NH+]1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000407956585 252210032 /nfs/dbraw/zinc/21/00/32/252210032.db2.gz KLUXHBWNFLOHOU-LLVKDONJSA-N 1 2 285.344 -1.630 20 0 CAADLO CN(C)S(=O)(=O)CC[N@@H+]1CCN2C(=O)NC[C@H]2C1 ZINC000407948494 252210118 /nfs/dbraw/zinc/21/01/18/252210118.db2.gz BGOVAHXCUCQGLL-VIFPVBQESA-N 1 2 276.362 -1.413 20 0 CAADLO CN(C)S(=O)(=O)CC[N@H+]1CCN2C(=O)NC[C@H]2C1 ZINC000407948494 252210122 /nfs/dbraw/zinc/21/01/22/252210122.db2.gz BGOVAHXCUCQGLL-VIFPVBQESA-N 1 2 276.362 -1.413 20 0 CAADLO NS(=O)(=O)N1CC[NH+](CCn2cncn2)CC1 ZINC000407950144 252210322 /nfs/dbraw/zinc/21/03/22/252210322.db2.gz XJWWNEQXHPCDJZ-UHFFFAOYSA-N 1 2 260.323 -1.901 20 0 CAADLO CS(=O)(=O)NCC[N@@H+]1CCCN(S(C)(=O)=O)CC1 ZINC000407950000 252210344 /nfs/dbraw/zinc/21/03/44/252210344.db2.gz ZIMKGGJDNRWROL-UHFFFAOYSA-N 1 2 299.418 -1.497 20 0 CAADLO CS(=O)(=O)NCC[N@H+]1CCCN(S(C)(=O)=O)CC1 ZINC000407950000 252210346 /nfs/dbraw/zinc/21/03/46/252210346.db2.gz ZIMKGGJDNRWROL-UHFFFAOYSA-N 1 2 299.418 -1.497 20 0 CAADLO NS(=O)(=O)N1CCN(CC[NH+]2CCOCC2)CC1 ZINC000407949633 252210614 /nfs/dbraw/zinc/21/06/14/252210614.db2.gz UXCVEYPKUYSMLT-UHFFFAOYSA-N 1 2 278.378 -1.860 20 0 CAADLO NS(=O)(=O)N1CC[NH+](CCN2CCOCC2)CC1 ZINC000407949633 252210618 /nfs/dbraw/zinc/21/06/18/252210618.db2.gz UXCVEYPKUYSMLT-UHFFFAOYSA-N 1 2 278.378 -1.860 20 0 CAADLO C[C@H](O)C[NH+]1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000407956591 252210975 /nfs/dbraw/zinc/21/09/75/252210975.db2.gz KLUXHBWNFLOHOU-NSHDSACASA-N 1 2 285.344 -1.630 20 0 CAADLO CN(C)S(=O)(=O)CC[N@@H+]1CCN2C(=O)NC[C@@H]2C1 ZINC000407948485 252211049 /nfs/dbraw/zinc/21/10/49/252211049.db2.gz BGOVAHXCUCQGLL-SECBINFHSA-N 1 2 276.362 -1.413 20 0 CAADLO CN(C)S(=O)(=O)CC[N@H+]1CCN2C(=O)NC[C@@H]2C1 ZINC000407948485 252211050 /nfs/dbraw/zinc/21/10/50/252211050.db2.gz BGOVAHXCUCQGLL-SECBINFHSA-N 1 2 276.362 -1.413 20 0 CAADLO CC(C)(C(N)=O)[NH+]1CCN(C(=O)[C@@H]2CCNC(=O)C2)CC1 ZINC000407991371 252212105 /nfs/dbraw/zinc/21/21/05/252212105.db2.gz UXADJOJPNWHLDO-SNVBAGLBSA-N 1 2 296.371 -1.079 20 0 CAADLO O=C(C[N@@H+]1CC[C@@H]2COC(=O)N[C@H]2C1)N1CCNC(=O)C1 ZINC000374064865 252200433 /nfs/dbraw/zinc/20/04/33/252200433.db2.gz AEHZRTLBAKEJNK-ZJUUUORDSA-N 1 2 296.327 -1.625 20 0 CAADLO O=C(C[N@H+]1CC[C@@H]2COC(=O)N[C@H]2C1)N1CCNC(=O)C1 ZINC000374064865 252200436 /nfs/dbraw/zinc/20/04/36/252200436.db2.gz AEHZRTLBAKEJNK-ZJUUUORDSA-N 1 2 296.327 -1.625 20 0 CAADLO Cn1c(N)c(C(=O)C[N@@H+]2CCCOCC2)c(=O)n(C)c1=O ZINC000374030126 252200505 /nfs/dbraw/zinc/20/05/05/252200505.db2.gz DAQCXAWYXYSFEM-UHFFFAOYSA-N 1 2 296.327 -1.429 20 0 CAADLO Cn1c(N)c(C(=O)C[N@H+]2CCCOCC2)c(=O)n(C)c1=O ZINC000374030126 252200508 /nfs/dbraw/zinc/20/05/08/252200508.db2.gz DAQCXAWYXYSFEM-UHFFFAOYSA-N 1 2 296.327 -1.429 20 0 CAADLO COCC[NH+]1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000408087921 252222351 /nfs/dbraw/zinc/22/23/51/252222351.db2.gz GMAUUIVUBQFCIC-UHFFFAOYSA-N 1 2 285.344 -1.364 20 0 CAADLO NS(=O)(=O)[C@H]1CCC[N@H+](CC(=O)N2CCOCC2)C1 ZINC000408100497 252222380 /nfs/dbraw/zinc/22/23/80/252222380.db2.gz XYSRGUBJUUSJSV-JTQLQIEISA-N 1 2 291.373 -1.402 20 0 CAADLO NS(=O)(=O)[C@H]1CCC[N@@H+](CC(=O)N2CCOCC2)C1 ZINC000408100497 252222384 /nfs/dbraw/zinc/22/23/84/252222384.db2.gz XYSRGUBJUUSJSV-JTQLQIEISA-N 1 2 291.373 -1.402 20 0 CAADLO C[C@@H](NS(C)(=O)=O)C(=O)N1CC[NH+](CCO)CC1 ZINC000408076884 252222403 /nfs/dbraw/zinc/22/24/03/252222403.db2.gz PEMYIYCUJLDVAP-SECBINFHSA-N 1 2 279.362 -1.939 20 0 CAADLO CCN(C)C(=O)C[N@@H+]1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000408143789 252223497 /nfs/dbraw/zinc/22/34/97/252223497.db2.gz CCLZKWFNJILWGG-QMMMGPOBSA-N 1 2 254.290 -1.299 20 0 CAADLO CCN(C)C(=O)C[N@H+]1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000408143789 252223501 /nfs/dbraw/zinc/22/35/01/252223501.db2.gz CCLZKWFNJILWGG-QMMMGPOBSA-N 1 2 254.290 -1.299 20 0 CAADLO CNC(=O)CN1CCN(C(=O)[C@H](C)[NH+]2CCOCC2)CC1 ZINC000408161373 252225137 /nfs/dbraw/zinc/22/51/37/252225137.db2.gz YRGCXGQJXRCPBB-LBPRGKRZSA-N 1 2 298.387 -1.403 20 0 CAADLO CNC(=O)[C@@H]1CN(C(=O)[C@H](C)[NH+]2CCOCC2)CCO1 ZINC000408175213 252225395 /nfs/dbraw/zinc/22/53/95/252225395.db2.gz YBXQHAJDCAAEOC-QWRGUYRKSA-N 1 2 285.344 -1.320 20 0 CAADLO NS(=O)(=O)C[C@@H]1CCC[N@@H+]1CC(=O)N1CCC1 ZINC000408167423 252225806 /nfs/dbraw/zinc/22/58/06/252225806.db2.gz DYVFKZNWGFELJE-VIFPVBQESA-N 1 2 261.347 -1.028 20 0 CAADLO NS(=O)(=O)C[C@@H]1CCC[N@H+]1CC(=O)N1CCC1 ZINC000408167423 252225810 /nfs/dbraw/zinc/22/58/10/252225810.db2.gz DYVFKZNWGFELJE-VIFPVBQESA-N 1 2 261.347 -1.028 20 0 CAADLO C[C@@H](C(=O)N1CCO[C@@H](CO)C1)[NH+]1CCOCC1 ZINC000408004798 252213943 /nfs/dbraw/zinc/21/39/43/252213943.db2.gz ZMUFWANMJZYMRG-WDEREUQCSA-N 1 2 258.318 -1.073 20 0 CAADLO O=C(N1CC[NH+](CCO)CC1)[C@]1(O)CCSC1 ZINC000408040661 252216161 /nfs/dbraw/zinc/21/61/61/252216161.db2.gz ISMJKXCDNLQFLQ-NSHDSACASA-N 1 2 260.359 -1.009 20 0 CAADLO Cn1[nH]cnc1=NC(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000408033477 252216969 /nfs/dbraw/zinc/21/69/69/252216969.db2.gz MLDXJVCWHBMCRP-SECBINFHSA-N 1 2 250.306 -1.435 20 0 CAADLO Cn1[nH]cnc1=NC(=O)[C@H]1C[N@H+]2CCN1CCC2 ZINC000408033477 252216973 /nfs/dbraw/zinc/21/69/73/252216973.db2.gz MLDXJVCWHBMCRP-SECBINFHSA-N 1 2 250.306 -1.435 20 0 CAADLO C[C@H](C(=O)N1CCN(C(=O)CO)CC1)[NH+]1CCN(C)CC1 ZINC000408037699 252217138 /nfs/dbraw/zinc/21/71/38/252217138.db2.gz CUCKSRSRUHDOTP-GFCCVEGCSA-N 1 2 298.387 -1.715 20 0 CAADLO C[C@@H](O)C(=O)N1CCN(C(=O)[C@H](C)[NH+]2CCOCC2)CC1 ZINC000408047113 252218388 /nfs/dbraw/zinc/21/83/88/252218388.db2.gz ZDBRCHHDCQPNQU-NWDGAFQWSA-N 1 2 299.371 -1.241 20 0 CAADLO CNS(=O)(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000408073903 252220293 /nfs/dbraw/zinc/22/02/93/252220293.db2.gz VBDPPJKKLXJUHF-UHFFFAOYSA-N 1 2 278.378 -1.407 20 0 CAADLO NS(=O)(=O)[C@H]1CC[N@H+](CC(=O)N2CCCC2)C1 ZINC000408087665 252221330 /nfs/dbraw/zinc/22/13/30/252221330.db2.gz FLPIYPVNYINTEP-VIFPVBQESA-N 1 2 261.347 -1.028 20 0 CAADLO NS(=O)(=O)[C@H]1CC[N@@H+](CC(=O)N2CCCC2)C1 ZINC000408087665 252221334 /nfs/dbraw/zinc/22/13/34/252221334.db2.gz FLPIYPVNYINTEP-VIFPVBQESA-N 1 2 261.347 -1.028 20 0 CAADLO CC(C)(NS(C)(=O)=O)C(=O)N1CC[NH+](CCO)CC1 ZINC000408110844 252221871 /nfs/dbraw/zinc/22/18/71/252221871.db2.gz VXWGANLZPQBUBO-UHFFFAOYSA-N 1 2 293.389 -1.549 20 0 CAADLO CC[C@@H](C(N)=O)[NH+]1CCC(NS(=O)(=O)NC)CC1 ZINC000408411369 252239527 /nfs/dbraw/zinc/23/95/27/252239527.db2.gz GOBRRCGQBLZSCV-VIFPVBQESA-N 1 2 278.378 -1.232 20 0 CAADLO Cn1nnc(CN2CC[NH+](C(C)(C)C(N)=O)CC2)n1 ZINC000408422151 252239597 /nfs/dbraw/zinc/23/95/97/252239597.db2.gz FQRDLOVZXIBYPP-UHFFFAOYSA-N 1 2 267.337 -1.408 20 0 CAADLO Cc1cc(NC(=O)C[NH+]2C[C@H](O)[C@@H](O)C2)n(C)n1 ZINC000408444507 252241033 /nfs/dbraw/zinc/24/10/33/252241033.db2.gz UPZONHKPMVJHSB-IUCAKERBSA-N 1 2 254.290 -1.296 20 0 CAADLO NC(=O)[C@H]1CCC[N@@H+]1CCN1CCCS1(=O)=O ZINC000408447666 252241040 /nfs/dbraw/zinc/24/10/40/252241040.db2.gz ZUNVIPKMKJOJMB-SECBINFHSA-N 1 2 261.347 -1.028 20 0 CAADLO NC(=O)[C@H]1CCC[N@H+]1CCN1CCCS1(=O)=O ZINC000408447666 252241044 /nfs/dbraw/zinc/24/10/44/252241044.db2.gz ZUNVIPKMKJOJMB-SECBINFHSA-N 1 2 261.347 -1.028 20 0 CAADLO COC(=O)[C@@]1(NC(=O)[C@@H]2C[N@H+](C)CCO2)CCOC1 ZINC000408446849 252241378 /nfs/dbraw/zinc/24/13/78/252241378.db2.gz RJZMEIOLLSNVLZ-JOYOIKCWSA-N 1 2 272.301 -1.235 20 0 CAADLO COC(=O)[C@@]1(NC(=O)[C@@H]2C[N@@H+](C)CCO2)CCOC1 ZINC000408446849 252241380 /nfs/dbraw/zinc/24/13/80/252241380.db2.gz RJZMEIOLLSNVLZ-JOYOIKCWSA-N 1 2 272.301 -1.235 20 0 CAADLO C[N@@H+]1CCO[C@H](C(=O)N[C@@]2(CCO)CCOC2)C1 ZINC000408448183 252241470 /nfs/dbraw/zinc/24/14/70/252241470.db2.gz PYVOUZXTCUJENH-JQWIXIFHSA-N 1 2 258.318 -1.025 20 0 CAADLO C[N@H+]1CCO[C@H](C(=O)N[C@@]2(CCO)CCOC2)C1 ZINC000408448183 252241472 /nfs/dbraw/zinc/24/14/72/252241472.db2.gz PYVOUZXTCUJENH-JQWIXIFHSA-N 1 2 258.318 -1.025 20 0 CAADLO C[N@@H+]1CCO[C@H](C(=O)N[C@]2(CCO)CCOC2)C1 ZINC000408448182 252241564 /nfs/dbraw/zinc/24/15/64/252241564.db2.gz PYVOUZXTCUJENH-CMPLNLGQSA-N 1 2 258.318 -1.025 20 0 CAADLO C[N@H+]1CCO[C@H](C(=O)N[C@]2(CCO)CCOC2)C1 ZINC000408448182 252241567 /nfs/dbraw/zinc/24/15/67/252241567.db2.gz PYVOUZXTCUJENH-CMPLNLGQSA-N 1 2 258.318 -1.025 20 0 CAADLO CNS(=O)(=O)N1CC[NH+]([C@@H](C)C(=O)N(C)C)CC1 ZINC000408196775 252227082 /nfs/dbraw/zinc/22/70/82/252227082.db2.gz FNLDKIIMBMQNOH-VIFPVBQESA-N 1 2 278.378 -1.455 20 0 CAADLO CCNC(=O)NC(=O)C[N@@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000408183531 252227401 /nfs/dbraw/zinc/22/74/01/252227401.db2.gz RXTRLLRNNBYKCG-QMMMGPOBSA-N 1 2 292.361 -1.544 20 0 CAADLO CCNC(=O)NC(=O)C[N@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000408183531 252227405 /nfs/dbraw/zinc/22/74/05/252227405.db2.gz RXTRLLRNNBYKCG-QMMMGPOBSA-N 1 2 292.361 -1.544 20 0 CAADLO CCNC(=O)NC(=O)C[N@@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000408183530 252227415 /nfs/dbraw/zinc/22/74/15/252227415.db2.gz RXTRLLRNNBYKCG-MRVPVSSYSA-N 1 2 292.361 -1.544 20 0 CAADLO CCNC(=O)NC(=O)C[N@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000408183530 252227422 /nfs/dbraw/zinc/22/74/22/252227422.db2.gz RXTRLLRNNBYKCG-MRVPVSSYSA-N 1 2 292.361 -1.544 20 0 CAADLO CNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000408184804 252227474 /nfs/dbraw/zinc/22/74/74/252227474.db2.gz ZSWPOPPNFKXPQR-HTQZYQBOSA-N 1 2 292.361 -1.546 20 0 CAADLO CNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000408184804 252227479 /nfs/dbraw/zinc/22/74/79/252227479.db2.gz ZSWPOPPNFKXPQR-HTQZYQBOSA-N 1 2 292.361 -1.546 20 0 CAADLO CS(=O)(=O)NCC[N@@H+]1CCSC[C@@H]1CO ZINC000408181110 252227606 /nfs/dbraw/zinc/22/76/06/252227606.db2.gz AQWMSTLIHYJIRP-QMMMGPOBSA-N 1 2 254.377 -1.055 20 0 CAADLO CS(=O)(=O)NCC[N@H+]1CCSC[C@@H]1CO ZINC000408181110 252227608 /nfs/dbraw/zinc/22/76/08/252227608.db2.gz AQWMSTLIHYJIRP-QMMMGPOBSA-N 1 2 254.377 -1.055 20 0 CAADLO CS(=O)(=O)N[C@H]1CC[N@H+](CC(=O)N2CCOCC2)C1 ZINC000408184111 252227770 /nfs/dbraw/zinc/22/77/70/252227770.db2.gz WKILHHJNQPDAKI-JTQLQIEISA-N 1 2 291.373 -1.531 20 0 CAADLO CS(=O)(=O)N[C@H]1CC[N@@H+](CC(=O)N2CCOCC2)C1 ZINC000408184111 252227774 /nfs/dbraw/zinc/22/77/74/252227774.db2.gz WKILHHJNQPDAKI-JTQLQIEISA-N 1 2 291.373 -1.531 20 0 CAADLO CNS(=O)(=O)NC1CC[NH+]([C@@H](C)C(N)=O)CC1 ZINC000408241742 252229932 /nfs/dbraw/zinc/22/99/32/252229932.db2.gz LJUXHYUCQWQHBO-ZETCQYMHSA-N 1 2 264.351 -1.622 20 0 CAADLO CNS(=O)(=O)NC1CC[NH+]([C@H](C)C(N)=O)CC1 ZINC000408241741 252230030 /nfs/dbraw/zinc/23/00/30/252230030.db2.gz LJUXHYUCQWQHBO-SSDOTTSWSA-N 1 2 264.351 -1.622 20 0 CAADLO C[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@H]2CS(N)(=O)=O)C1 ZINC000408268716 252232339 /nfs/dbraw/zinc/23/23/39/252232339.db2.gz DCBNZBPYHHIKMK-VHSXEESVSA-N 1 2 291.373 -1.404 20 0 CAADLO C[N@H+]1CCO[C@@H](C(=O)N2CCC[C@H]2CS(N)(=O)=O)C1 ZINC000408268716 252232342 /nfs/dbraw/zinc/23/23/42/252232342.db2.gz DCBNZBPYHHIKMK-VHSXEESVSA-N 1 2 291.373 -1.404 20 0 CAADLO CN(CCN1CCOCC1)C(=O)C(=O)N1CC[NH+](C)CC1 ZINC000410479143 252242891 /nfs/dbraw/zinc/24/28/91/252242891.db2.gz RODSHUXILFKSIY-UHFFFAOYSA-N 1 2 298.387 -1.449 20 0 CAADLO O=S(=O)(C1COC1)N1CC[NH+](CCCO)CC1 ZINC000408289276 252233534 /nfs/dbraw/zinc/23/35/34/252233534.db2.gz DSLWUKGFEBKLSN-UHFFFAOYSA-N 1 2 264.347 -1.285 20 0 CAADLO CSC[C@@H](O)C[NH+]1CCN(S(N)(=O)=O)CC1 ZINC000408363900 252236491 /nfs/dbraw/zinc/23/64/91/252236491.db2.gz CCGDETQRPDUDKY-QMMMGPOBSA-N 1 2 269.392 -1.469 20 0 CAADLO CSC[C@H](O)C[NH+]1CCN(S(N)(=O)=O)CC1 ZINC000408363899 252236603 /nfs/dbraw/zinc/23/66/03/252236603.db2.gz CCGDETQRPDUDKY-MRVPVSSYSA-N 1 2 269.392 -1.469 20 0 CAADLO CNS(=O)(=O)CCNC(=O)C[NH+]1CC(C)(C)C1 ZINC000515866254 252254362 /nfs/dbraw/zinc/25/43/62/252254362.db2.gz DGAABKJSZNSUMY-UHFFFAOYSA-N 1 2 263.363 -1.006 20 0 CAADLO COC(=O)[C@H]1CNC(=O)CN1C(=O)C[NH+]1CC(C)(C)C1 ZINC000516085147 252254825 /nfs/dbraw/zinc/25/48/25/252254825.db2.gz KQWVOHQWKLXMSZ-SECBINFHSA-N 1 2 283.328 -1.172 20 0 CAADLO CCN(CCCO)C(=O)C(=O)N1CC[NH+](C)CC1 ZINC000410752277 252244037 /nfs/dbraw/zinc/24/40/37/252244037.db2.gz DWLMZZXNCJDNAF-UHFFFAOYSA-N 1 2 257.334 -1.009 20 0 CAADLO C[C@@H]1CN(C(=O)C(=O)N2CC[NH+](C)CC2)C[C@H]1CO ZINC000410623129 252244611 /nfs/dbraw/zinc/24/46/11/252244611.db2.gz PLBVGTBMBGIUEX-MNOVXSKESA-N 1 2 269.345 -1.153 20 0 CAADLO C[C@@H]1[C@H](CO)CCN1C(=O)C(=O)N1CC[NH+](C)CC1 ZINC000410742073 252245184 /nfs/dbraw/zinc/24/51/84/252245184.db2.gz HIIZBEHACHJZSV-MNOVXSKESA-N 1 2 269.345 -1.010 20 0 CAADLO CC[NH+]1CCN(C(=O)C(=O)N2CCO[C@H]([C@H](C)O)C2)CC1 ZINC000414587006 252246279 /nfs/dbraw/zinc/24/62/79/252246279.db2.gz LUFPSOLXZHXOLA-RYUDHWBXSA-N 1 2 299.371 -1.241 20 0 CAADLO CC(C)Nc1nc(N[C@@H]2CCC[C@H]2O)nc(NCCO)[nH+]1 ZINC000413373070 252246701 /nfs/dbraw/zinc/24/67/01/252246701.db2.gz PIPJSSWUWACWQP-NXEZZACHSA-N 1 2 296.375 -1.313 20 0 CAADLO CC(C)Nc1nc(NCCO)[nH+]c(N[C@@H]2CCC[C@H]2O)n1 ZINC000413373070 252246717 /nfs/dbraw/zinc/24/67/17/252246717.db2.gz PIPJSSWUWACWQP-NXEZZACHSA-N 1 2 296.375 -1.313 20 0 CAADLO CC(C)Nc1nc(NCCO)nc(N[C@@H]2CCC[C@H]2O)[nH+]1 ZINC000413373070 252246720 /nfs/dbraw/zinc/24/67/20/252246720.db2.gz PIPJSSWUWACWQP-NXEZZACHSA-N 1 2 296.375 -1.313 20 0 CAADLO CC[NH+]1CCN(C(=O)C(=O)N2CCO[C@@H]([C@@H](C)O)C2)CC1 ZINC000414587007 252246863 /nfs/dbraw/zinc/24/68/63/252246863.db2.gz LUFPSOLXZHXOLA-VXGBXAGGSA-N 1 2 299.371 -1.241 20 0 CAADLO CC(C)Nc1nc(N[C@H]2C[C@@](C)(O)C2)nc(NCCO)[nH+]1 ZINC000418997872 252248166 /nfs/dbraw/zinc/24/81/66/252248166.db2.gz PEWNKRXRMJEVJO-SWZMTVOYSA-N 1 2 296.375 -1.313 20 0 CAADLO CC(C)Nc1nc(NCCO)[nH+]c(N[C@H]2C[C@@](C)(O)C2)n1 ZINC000418997872 252248169 /nfs/dbraw/zinc/24/81/69/252248169.db2.gz PEWNKRXRMJEVJO-SWZMTVOYSA-N 1 2 296.375 -1.313 20 0 CAADLO CC(C)Nc1nc(NCCO)nc(N[C@H]2C[C@@](C)(O)C2)[nH+]1 ZINC000418997872 252248174 /nfs/dbraw/zinc/24/81/74/252248174.db2.gz PEWNKRXRMJEVJO-SWZMTVOYSA-N 1 2 296.375 -1.313 20 0 CAADLO CC(C)NC(=O)NCC[N@@H+]1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000515350477 252252503 /nfs/dbraw/zinc/25/25/03/252252503.db2.gz NHHQNYZPMDJYNU-VIFPVBQESA-N 1 2 283.332 -1.070 20 0 CAADLO CC(C)NC(=O)NCC[N@H+]1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000515350477 252252505 /nfs/dbraw/zinc/25/25/05/252252505.db2.gz NHHQNYZPMDJYNU-VIFPVBQESA-N 1 2 283.332 -1.070 20 0 CAADLO CC(C)NC(=O)NCC[N@@H+]1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000515350476 252252729 /nfs/dbraw/zinc/25/27/29/252252729.db2.gz NHHQNYZPMDJYNU-SECBINFHSA-N 1 2 283.332 -1.070 20 0 CAADLO CC(C)NC(=O)NCC[N@H+]1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000515350476 252252735 /nfs/dbraw/zinc/25/27/35/252252735.db2.gz NHHQNYZPMDJYNU-SECBINFHSA-N 1 2 283.332 -1.070 20 0 CAADLO COCCN1CC[N@H+](CCCN2C(=O)CNC2=O)CC1=O ZINC000351921860 532965981 /nfs/dbraw/zinc/96/59/81/532965981.db2.gz UIYOLQBMBMLVPL-UHFFFAOYSA-N 1 2 298.343 -1.281 20 0 CAADLO COCCN1CC[N@@H+](CCCN2C(=O)CNC2=O)CC1=O ZINC000351921860 532965985 /nfs/dbraw/zinc/96/59/85/532965985.db2.gz UIYOLQBMBMLVPL-UHFFFAOYSA-N 1 2 298.343 -1.281 20 0 CAADLO COCC[NH+]1CCN(C[C@@H](O)CN2CCOCC2)CC1 ZINC000194620254 532966112 /nfs/dbraw/zinc/96/61/12/532966112.db2.gz LKLNABFSIOLRTH-CQSZACIVSA-N 1 2 287.404 -1.057 20 0 CAADLO COCCN1CC[NH+](C[C@@H](O)CN2CCOCC2)CC1 ZINC000194620254 532966115 /nfs/dbraw/zinc/96/61/15/532966115.db2.gz LKLNABFSIOLRTH-CQSZACIVSA-N 1 2 287.404 -1.057 20 0 CAADLO COCC[NH+]1CCN(S(=O)(=O)C2COC2)CC1 ZINC000493630105 532969956 /nfs/dbraw/zinc/96/99/56/532969956.db2.gz BMYKXWIEOUPOEX-UHFFFAOYSA-N 1 2 264.347 -1.021 20 0 CAADLO O=C1C[C@H]([N@@H+]2CCN3C(=O)OCC[C@H]3C2)C(=O)N1 ZINC000496128998 296347439 /nfs/dbraw/zinc/34/74/39/296347439.db2.gz MEIOVQWHOYPSOG-YUMQZZPRSA-N 1 2 253.258 -1.072 20 0 CAADLO O=C1C[C@H]([N@H+]2CCN3C(=O)OCC[C@H]3C2)C(=O)N1 ZINC000496128998 296347443 /nfs/dbraw/zinc/34/74/43/296347443.db2.gz MEIOVQWHOYPSOG-YUMQZZPRSA-N 1 2 253.258 -1.072 20 0 CAADLO COC(=O)[C@@H]1CN(C[C@H](O)C[NH+]2CCOCC2)CCO1 ZINC000312968641 533011068 /nfs/dbraw/zinc/01/10/68/533011068.db2.gz VDNQCIVXALOLPC-NEPJUHHUSA-N 1 2 288.344 -1.447 20 0 CAADLO COC(=O)[C@@H]1C[N@H+](C[C@H](O)CN2CCOCC2)CCO1 ZINC000312968641 533011074 /nfs/dbraw/zinc/01/10/74/533011074.db2.gz VDNQCIVXALOLPC-NEPJUHHUSA-N 1 2 288.344 -1.447 20 0 CAADLO COC(=O)[C@@H]1C[N@@H+](C[C@H](O)CN2CCOCC2)CCO1 ZINC000312968641 533011078 /nfs/dbraw/zinc/01/10/78/533011078.db2.gz VDNQCIVXALOLPC-NEPJUHHUSA-N 1 2 288.344 -1.447 20 0 CAADLO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+]1C[C@@H](O)Cn1cccn1 ZINC000248866719 533040870 /nfs/dbraw/zinc/04/08/70/533040870.db2.gz CAIXBOLMXQPNJR-MXWKQRLJSA-N 1 2 269.301 -1.148 20 0 CAADLO COC(=O)[C@@H]1C[C@@H](O)C[N@H+]1C[C@@H](O)Cn1cccn1 ZINC000248866719 533040874 /nfs/dbraw/zinc/04/08/74/533040874.db2.gz CAIXBOLMXQPNJR-MXWKQRLJSA-N 1 2 269.301 -1.148 20 0 CAADLO COCCOCC(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000434483526 533047372 /nfs/dbraw/zinc/04/73/72/533047372.db2.gz VAVPSLLNLIDSOL-GFCCVEGCSA-N 1 2 290.360 -1.199 20 0 CAADLO COC(=O)[C@@H]1C[C@H](O)C[N@@H+]1C[C@H](O)Cn1cccn1 ZINC000188605454 533064878 /nfs/dbraw/zinc/06/48/78/533064878.db2.gz CAIXBOLMXQPNJR-DCAQKATOSA-N 1 2 269.301 -1.148 20 0 CAADLO COC(=O)[C@@H]1C[C@H](O)C[N@H+]1C[C@H](O)Cn1cccn1 ZINC000188605454 533064882 /nfs/dbraw/zinc/06/48/82/533064882.db2.gz CAIXBOLMXQPNJR-DCAQKATOSA-N 1 2 269.301 -1.148 20 0 CAADLO O=C1NC[C@@H]2C[N@@H+]([C@H]3CCCCNC3=O)CCN2C1=O ZINC000120246809 296380546 /nfs/dbraw/zinc/38/05/46/296380546.db2.gz NWASPAXQXNFLNY-ZJUUUORDSA-N 1 2 280.328 -1.702 20 0 CAADLO O=C1NC[C@@H]2C[N@H+]([C@H]3CCCCNC3=O)CCN2C1=O ZINC000120246809 296380547 /nfs/dbraw/zinc/38/05/47/296380547.db2.gz NWASPAXQXNFLNY-ZJUUUORDSA-N 1 2 280.328 -1.702 20 0 CAADLO COC(=O)[C@@](C)(O)C[NH+]1CCN(S(C)(=O)=O)CC1 ZINC000080211620 533094242 /nfs/dbraw/zinc/09/42/42/533094242.db2.gz GPDYATDXCQYFBJ-JTQLQIEISA-N 1 2 280.346 -1.512 20 0 CAADLO COC(=O)[C@@](C)(O)C[N@@H+]1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC000332672948 533094179 /nfs/dbraw/zinc/09/41/79/533094179.db2.gz IVVZWIVUUNQISU-UFBFGSQYSA-N 1 2 285.300 -2.447 20 0 CAADLO COC(=O)[C@@](C)(O)C[N@H+]1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC000332672948 533094184 /nfs/dbraw/zinc/09/41/84/533094184.db2.gz IVVZWIVUUNQISU-UFBFGSQYSA-N 1 2 285.300 -2.447 20 0 CAADLO O=C1NC[C@H]2C[N@H+](CCn3cccn3)CCN2C1=O ZINC000152597376 296383906 /nfs/dbraw/zinc/38/39/06/296383906.db2.gz YBGNLXUKBKCUEK-JTQLQIEISA-N 1 2 263.301 -1.474 20 0 CAADLO O=C1NC[C@H]2C[N@@H+](CCn3cccn3)CCN2C1=O ZINC000152597376 296383909 /nfs/dbraw/zinc/38/39/09/296383909.db2.gz YBGNLXUKBKCUEK-JTQLQIEISA-N 1 2 263.301 -1.474 20 0 CAADLO COCCOC[C@@H](C)NC(=O)CN1CC[NH2+]CC1=O ZINC000429997515 533098606 /nfs/dbraw/zinc/09/86/06/533098606.db2.gz OSRNIVHBJHZUNJ-SNVBAGLBSA-N 1 2 273.333 -1.414 20 0 CAADLO C[C@](O)(CNS(=O)(=O)C1COC1)C[NH+]1CCOCC1 ZINC000574861142 335052082 /nfs/dbraw/zinc/05/20/82/335052082.db2.gz MSVAQEJPCMSHBQ-NSHDSACASA-N 1 2 294.373 -1.612 20 0 CAADLO COCCOC[C@@H]1CCN(C(=O)CN2CC[NH2+]CC2=O)C1 ZINC000430478056 533112246 /nfs/dbraw/zinc/11/22/46/533112246.db2.gz NXEQTPVRNDEPSV-GFCCVEGCSA-N 1 2 299.371 -1.070 20 0 CAADLO COC(=O)C(C)(C)CNC(=O)CN1CC[NH2+]CC1=O ZINC000430401617 533133049 /nfs/dbraw/zinc/13/30/49/533133049.db2.gz QAXPHVJIPMIWAX-UHFFFAOYSA-N 1 2 271.317 -1.266 20 0 CAADLO COC(=O)C(C)(C)NC(=O)CN1CC[NH2+]CC1=O ZINC000429684317 533158134 /nfs/dbraw/zinc/15/81/34/533158134.db2.gz JTRHOOPEKXDNTC-UHFFFAOYSA-N 1 2 257.290 -1.514 20 0 CAADLO CC(=O)c1nc(C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@H]32)cn1C ZINC001193840571 781976822 /nfs/dbraw/zinc/97/68/22/781976822.db2.gz DZOXSLAERWQOBG-YWVKMMECSA-N 1 2 293.331 -2.245 20 0 CAADLO CC(=O)c1nc(C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@@H]32)cn1C ZINC001193840570 781976887 /nfs/dbraw/zinc/97/68/87/781976887.db2.gz DZOXSLAERWQOBG-WCABBAIRSA-N 1 2 293.331 -2.245 20 0 CAADLO C[C@H](NS(C)(=O)=O)C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000522313841 260015229 /nfs/dbraw/zinc/01/52/29/260015229.db2.gz KKUOYDQYWYAREY-ZJUUUORDSA-N 1 2 293.389 -1.239 20 0 CAADLO C[C@H](NS(C)(=O)=O)C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000522313841 260015230 /nfs/dbraw/zinc/01/52/30/260015230.db2.gz KKUOYDQYWYAREY-ZJUUUORDSA-N 1 2 293.389 -1.239 20 0 CAADLO CC[N@@H+]1CCOC[C@@H]1C(=O)N1CCO[C@H](C(=O)NC)C1 ZINC000408175041 285343476 /nfs/dbraw/zinc/34/34/76/285343476.db2.gz WTZZTMKOLJRMQI-MNOVXSKESA-N 1 2 285.344 -1.320 20 0 CAADLO CC[N@H+]1CCOC[C@@H]1C(=O)N1CCO[C@H](C(=O)NC)C1 ZINC000408175041 285343485 /nfs/dbraw/zinc/34/34/85/285343485.db2.gz WTZZTMKOLJRMQI-MNOVXSKESA-N 1 2 285.344 -1.320 20 0 CAADLO CC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCS(C)(=O)=O)C1 ZINC001194184274 781984018 /nfs/dbraw/zinc/98/40/18/781984018.db2.gz AWUSCKNDZQRRJN-RKDXNWHRSA-N 1 2 264.347 -1.398 20 0 CAADLO CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCS(C)(=O)=O)C1 ZINC001194184274 781984012 /nfs/dbraw/zinc/98/40/12/781984012.db2.gz AWUSCKNDZQRRJN-RKDXNWHRSA-N 1 2 264.347 -1.398 20 0 CAADLO C[C@@H](C(=O)N[C@@H]1C[N@H+](CC2CC2)C[C@H]1O)S(C)(=O)=O ZINC001194143863 781985621 /nfs/dbraw/zinc/98/56/21/781985621.db2.gz ONZXBZIPVJMXEU-JMJZKYOTSA-N 1 2 290.385 -1.009 20 0 CAADLO C[C@@H](C(=O)N[C@@H]1C[N@@H+](CC2CC2)C[C@H]1O)S(C)(=O)=O ZINC001194143863 781985628 /nfs/dbraw/zinc/98/56/28/781985628.db2.gz ONZXBZIPVJMXEU-JMJZKYOTSA-N 1 2 290.385 -1.009 20 0 CAADLO CC(=O)N[C@H](C)C(=O)N1CCC[N@@H+]([C@@H](C)C(N)=O)CC1 ZINC001194740063 781993419 /nfs/dbraw/zinc/99/34/19/781993419.db2.gz YKPWIXNUMAHSEW-ZJUUUORDSA-N 1 2 284.360 -1.081 20 0 CAADLO CC(=O)N[C@H](C)C(=O)N1CCC[N@H+]([C@@H](C)C(N)=O)CC1 ZINC001194740063 781993425 /nfs/dbraw/zinc/99/34/25/781993425.db2.gz YKPWIXNUMAHSEW-ZJUUUORDSA-N 1 2 284.360 -1.081 20 0 CAADLO COCC(=O)N1CCC[N@@H+]([C@@H](C)C(=O)NC(N)=O)CC1 ZINC001194590235 781989378 /nfs/dbraw/zinc/98/93/78/781989378.db2.gz KXMHSEKZJGMJFL-VIFPVBQESA-N 1 2 286.332 -1.250 20 0 CAADLO COCC(=O)N1CCC[N@H+]([C@@H](C)C(=O)NC(N)=O)CC1 ZINC001194590235 781989390 /nfs/dbraw/zinc/98/93/90/781989390.db2.gz KXMHSEKZJGMJFL-VIFPVBQESA-N 1 2 286.332 -1.250 20 0 CAADLO NC(=O)C[N@@H+]1CCCN(C(=O)CNC(N)=O)CC1 ZINC001194795277 781993490 /nfs/dbraw/zinc/99/34/90/781993490.db2.gz KLLNURFOSJOQPY-UHFFFAOYSA-N 1 2 257.294 -2.326 20 0 CAADLO NC(=O)C[N@H+]1CCCN(C(=O)CNC(N)=O)CC1 ZINC001194795277 781993495 /nfs/dbraw/zinc/99/34/95/781993495.db2.gz KLLNURFOSJOQPY-UHFFFAOYSA-N 1 2 257.294 -2.326 20 0 CAADLO CC(=O)N[C@@H](C)C(=O)N1CCC[N@H+](CC(N)=O)CC1 ZINC001194754286 781993728 /nfs/dbraw/zinc/99/37/28/781993728.db2.gz HARSOZPTUBTTFP-VIFPVBQESA-N 1 2 270.333 -1.469 20 0 CAADLO CC(=O)N[C@@H](C)C(=O)N1CCC[N@@H+](CC(N)=O)CC1 ZINC001194754286 781993740 /nfs/dbraw/zinc/99/37/40/781993740.db2.gz HARSOZPTUBTTFP-VIFPVBQESA-N 1 2 270.333 -1.469 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2(COC)CC2)C1 ZINC001194681176 781991874 /nfs/dbraw/zinc/99/18/74/781991874.db2.gz GWKHQJQQINOHCD-HBNTYKKESA-N 1 2 299.371 -1.291 20 0 CAADLO CNC(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)C2(COC)CC2)C1 ZINC001194681176 781991882 /nfs/dbraw/zinc/99/18/82/781991882.db2.gz GWKHQJQQINOHCD-HBNTYKKESA-N 1 2 299.371 -1.291 20 0 CAADLO CC(=O)NCC(=O)N1CCC[N@H+](CC(=O)N2CCC2)CC1 ZINC001194666827 781992118 /nfs/dbraw/zinc/99/21/18/781992118.db2.gz XTUAKDDDCCUPOA-UHFFFAOYSA-N 1 2 296.371 -1.111 20 0 CAADLO CC(=O)NCC(=O)N1CCC[N@@H+](CC(=O)N2CCC2)CC1 ZINC001194666827 781992129 /nfs/dbraw/zinc/99/21/29/781992129.db2.gz XTUAKDDDCCUPOA-UHFFFAOYSA-N 1 2 296.371 -1.111 20 0 CAADLO CC(=O)NCC(=O)N1CCC[N@H+](CC(=O)NC(N)=O)CC1 ZINC001194689678 781992444 /nfs/dbraw/zinc/99/24/44/781992444.db2.gz OBWUWRTXEAOPGF-UHFFFAOYSA-N 1 2 299.331 -2.148 20 0 CAADLO CC(=O)NCC(=O)N1CCC[N@@H+](CC(=O)NC(N)=O)CC1 ZINC001194689678 781992453 /nfs/dbraw/zinc/99/24/53/781992453.db2.gz OBWUWRTXEAOPGF-UHFFFAOYSA-N 1 2 299.331 -2.148 20 0 CAADLO CC[C@@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2(COC)CC2)C1 ZINC001194688707 781993023 /nfs/dbraw/zinc/99/30/23/781993023.db2.gz XBHQSDIMUDJJCT-OUAUKWLOSA-N 1 2 299.371 -1.162 20 0 CAADLO CC[C@@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)C2(COC)CC2)C1 ZINC001194688707 781993032 /nfs/dbraw/zinc/99/30/32/781993032.db2.gz XBHQSDIMUDJJCT-OUAUKWLOSA-N 1 2 299.371 -1.162 20 0 CAADLO COC(=O)[C@H](CC(C)C)NC(=O)C[N@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000093092535 533237456 /nfs/dbraw/zinc/23/74/56/533237456.db2.gz HRIHQPKLBHTZBU-GARJFASQSA-N 1 2 288.344 -1.272 20 0 CAADLO COC(=O)[C@H](CC(C)C)NC(=O)C[N@@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000093092535 533237467 /nfs/dbraw/zinc/23/74/67/533237467.db2.gz HRIHQPKLBHTZBU-GARJFASQSA-N 1 2 288.344 -1.272 20 0 CAADLO C[C@@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)CO)CC1 ZINC000089422931 533242176 /nfs/dbraw/zinc/24/21/76/533242176.db2.gz NWPMDAOHMCBZKL-VIFPVBQESA-N 1 2 255.318 -1.210 20 0 CAADLO COC[C@@H](NC(=O)CN1CC[NH2+]CC1=O)C1CC1 ZINC000125387603 533351329 /nfs/dbraw/zinc/35/13/29/533351329.db2.gz OFFGLXXFMJDZDO-SNVBAGLBSA-N 1 2 255.318 -1.041 20 0 CAADLO COC[C@@H](O)CN(CC[NH+]1CCOCC1)CC(=O)OC ZINC000344710357 533361947 /nfs/dbraw/zinc/36/19/47/533361947.db2.gz MWGNYKCJOHNZGM-LBPRGKRZSA-N 1 2 290.360 -1.199 20 0 CAADLO C[C@@H](NC(N)=O)C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000194605523 533326281 /nfs/dbraw/zinc/32/62/81/533326281.db2.gz WVXGKXFJPQJSJW-DTWKUNHWSA-N 1 2 258.322 -1.120 20 0 CAADLO CS(=O)(=O)N1CC[NH+](CCOCCO)CC1 ZINC000062085662 533393362 /nfs/dbraw/zinc/39/33/62/533393362.db2.gz COOBNBCMNGRHJJ-UHFFFAOYSA-N 1 2 252.336 -1.428 20 0 CAADLO COC(=O)CCCS(=O)(=O)N1CC[NH+](CCO)CC1 ZINC000049062135 533397346 /nfs/dbraw/zinc/39/73/46/533397346.db2.gz AAFRVFGEEKYCDE-UHFFFAOYSA-N 1 2 294.373 -1.121 20 0 CAADLO COC(=O)CC[NH+]1CCN(S(=O)(=O)N(C)C)CC1 ZINC000046515737 533426564 /nfs/dbraw/zinc/42/65/64/533426564.db2.gz MIDUGMFGVRZJCW-UHFFFAOYSA-N 1 2 279.362 -1.027 20 0 CAADLO CC(=O)N[C@@H](C)C(=O)N1CCC[N@@H+]([C@@H](C)C(N)=O)CC1 ZINC001194740060 781994072 /nfs/dbraw/zinc/99/40/72/781994072.db2.gz YKPWIXNUMAHSEW-UWVGGRQHSA-N 1 2 284.360 -1.081 20 0 CAADLO COC(=O)CCNC(=O)C[N@H+](C)[C@@H]1COC[C@@H]1O ZINC000352792308 533432448 /nfs/dbraw/zinc/43/24/48/533432448.db2.gz LVBVBGQRGVNWIA-BDAKNGLRSA-N 1 2 260.290 -1.643 20 0 CAADLO COC(=O)CCNC(=O)C[N@@H+](C)[C@@H]1COC[C@@H]1O ZINC000352792308 533432452 /nfs/dbraw/zinc/43/24/52/533432452.db2.gz LVBVBGQRGVNWIA-BDAKNGLRSA-N 1 2 260.290 -1.643 20 0 CAADLO COC(=O)CCNC(=O)C[N@@H+]1C[C@H](C)O[C@H](C(N)=O)C1 ZINC000347096590 533434531 /nfs/dbraw/zinc/43/45/31/533434531.db2.gz IBDOBSBJRFBNSZ-IUCAKERBSA-N 1 2 287.316 -1.760 20 0 CAADLO COC(=O)CCNC(=O)C[N@H+]1C[C@H](C)O[C@H](C(N)=O)C1 ZINC000347096590 533434533 /nfs/dbraw/zinc/43/45/33/533434533.db2.gz IBDOBSBJRFBNSZ-IUCAKERBSA-N 1 2 287.316 -1.760 20 0 CAADLO CC(=O)N[C@@H](C)C(=O)N1CCC[N@H+]([C@@H](C)C(N)=O)CC1 ZINC001194740060 781994080 /nfs/dbraw/zinc/99/40/80/781994080.db2.gz YKPWIXNUMAHSEW-UWVGGRQHSA-N 1 2 284.360 -1.081 20 0 CAADLO COC(=O)CNC(=O)CNC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493076697 533521369 /nfs/dbraw/zinc/52/13/69/533521369.db2.gz YCLFWZBSQYVTDZ-NSCUHMNNSA-N 1 2 266.257 -1.172 20 0 CAADLO COC(=O)CNC(=O)C[N@@H+]1CCO[C@]2(CCOC2)C1 ZINC000331641229 533521948 /nfs/dbraw/zinc/52/19/48/533521948.db2.gz MSONONLJARNVPI-GFCCVEGCSA-N 1 2 272.301 -1.233 20 0 CAADLO COC(=O)CNC(=O)C[N@H+]1CCO[C@]2(CCOC2)C1 ZINC000331641229 533521950 /nfs/dbraw/zinc/52/19/50/533521950.db2.gz MSONONLJARNVPI-GFCCVEGCSA-N 1 2 272.301 -1.233 20 0 CAADLO COC(=O)CNC(=O)CNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492952550 533522213 /nfs/dbraw/zinc/52/22/13/533522213.db2.gz NIOHIXTZRNZNTH-IHWYPQMZSA-N 1 2 266.257 -1.172 20 0 CAADLO CO[C@@H]1C[NH+](Cc2nc(N)nc(N)n2)C[C@H]1OC ZINC000487961092 533480402 /nfs/dbraw/zinc/48/04/02/533480402.db2.gz NEGSMXJDIWWUNL-RNFRBKRXSA-N 1 2 254.294 -1.458 20 0 CAADLO COC(=O)[C@H]1CN(C[C@@H](O)C[NH+]2CCOCC2)CCO1 ZINC000312968644 533492181 /nfs/dbraw/zinc/49/21/81/533492181.db2.gz VDNQCIVXALOLPC-NWDGAFQWSA-N 1 2 288.344 -1.447 20 0 CAADLO COC(=O)[C@H]1C[N@H+](C[C@@H](O)CN2CCOCC2)CCO1 ZINC000312968644 533492184 /nfs/dbraw/zinc/49/21/84/533492184.db2.gz VDNQCIVXALOLPC-NWDGAFQWSA-N 1 2 288.344 -1.447 20 0 CAADLO COC(=O)[C@H]1C[N@@H+](C[C@@H](O)CN2CCOCC2)CCO1 ZINC000312968644 533492190 /nfs/dbraw/zinc/49/21/90/533492190.db2.gz VDNQCIVXALOLPC-NWDGAFQWSA-N 1 2 288.344 -1.447 20 0 CAADLO COC(=O)[C@H]1C[N@H+](Cc2cn(C)c(=O)n(C)c2=O)CCO1 ZINC000353416925 533492973 /nfs/dbraw/zinc/49/29/73/533492973.db2.gz RIVSOBHWKVCKPD-SNVBAGLBSA-N 1 2 297.311 -1.542 20 0 CAADLO COC(=O)[C@H]1C[N@@H+](Cc2cn(C)c(=O)n(C)c2=O)CCO1 ZINC000353416925 533492979 /nfs/dbraw/zinc/49/29/79/533492979.db2.gz RIVSOBHWKVCKPD-SNVBAGLBSA-N 1 2 297.311 -1.542 20 0 CAADLO COC(=O)CN(CC[NH+]1CCOCC1)Cc1nnn(C)n1 ZINC000440769641 533496135 /nfs/dbraw/zinc/49/61/35/533496135.db2.gz DVVSRWDARWUSKR-UHFFFAOYSA-N 1 2 298.347 -1.483 20 0 CAADLO COC(=O)CNC(=O)[C@H](C)[N@@H+]1CCNC(=O)CC1 ZINC000332031633 533530349 /nfs/dbraw/zinc/53/03/49/533530349.db2.gz SCKNAOJCAZHRCY-QMMMGPOBSA-N 1 2 257.290 -1.514 20 0 CAADLO COC(=O)CNC(=O)[C@H](C)[N@H+]1CCNC(=O)CC1 ZINC000332031633 533530352 /nfs/dbraw/zinc/53/03/52/533530352.db2.gz SCKNAOJCAZHRCY-QMMMGPOBSA-N 1 2 257.290 -1.514 20 0 CAADLO CSCC(=O)NCC(=O)NCC[NH+]1CCOCC1 ZINC000347887900 533517472 /nfs/dbraw/zinc/51/74/72/533517472.db2.gz CLBOTHQHJLOGEV-UHFFFAOYSA-N 1 2 275.374 -1.086 20 0 CAADLO COC(=O)CSCCNC(=O)CN1CC[NH2+]CC1=O ZINC000430127444 533577941 /nfs/dbraw/zinc/57/79/41/533577941.db2.gz WRZCGWYHLKYMCL-UHFFFAOYSA-N 1 2 289.357 -1.559 20 0 CAADLO COC(=O)[C@H]1C[C@@H](O)C[N@@H+]1CCC(=O)N1CCOCC1 ZINC000352046578 533539931 /nfs/dbraw/zinc/53/99/31/533539931.db2.gz UTVAZOWFKNEYHT-GHMZBOCLSA-N 1 2 286.328 -1.157 20 0 CAADLO COC(=O)[C@H]1C[C@@H](O)C[N@H+]1CCC(=O)N1CCOCC1 ZINC000352046578 533539935 /nfs/dbraw/zinc/53/99/35/533539935.db2.gz UTVAZOWFKNEYHT-GHMZBOCLSA-N 1 2 286.328 -1.157 20 0 CAADLO COC(=O)[C@H]1C[C@@H](O)C[N@@H+]1CCCOC(=O)NC(N)=O ZINC000492773821 533540757 /nfs/dbraw/zinc/54/07/57/533540757.db2.gz TXEMRBKOAXTTAP-HTQZYQBOSA-N 1 2 289.288 -1.210 20 0 CAADLO COC(=O)[C@H]1C[C@@H](O)C[N@H+]1CCCOC(=O)NC(N)=O ZINC000492773821 533540761 /nfs/dbraw/zinc/54/07/61/533540761.db2.gz TXEMRBKOAXTTAP-HTQZYQBOSA-N 1 2 289.288 -1.210 20 0 CAADLO COC(=O)[C@H]1C[C@@H](O)C[N@@H+]1C[C@H](O)Cn1cccn1 ZINC000185518175 533540843 /nfs/dbraw/zinc/54/08/43/533540843.db2.gz CAIXBOLMXQPNJR-OUAUKWLOSA-N 1 2 269.301 -1.148 20 0 CAADLO COC(=O)[C@H]1C[C@@H](O)C[N@H+]1C[C@H](O)Cn1cccn1 ZINC000185518175 533540848 /nfs/dbraw/zinc/54/08/48/533540848.db2.gz CAIXBOLMXQPNJR-OUAUKWLOSA-N 1 2 269.301 -1.148 20 0 CAADLO COC(=O)[C@H]1C[C@H](O)C[N@@H+]1C[C@H](O)Cn1cccn1 ZINC000188605469 533548284 /nfs/dbraw/zinc/54/82/84/533548284.db2.gz CAIXBOLMXQPNJR-GARJFASQSA-N 1 2 269.301 -1.148 20 0 CAADLO COC(=O)[C@H]1C[C@H](O)C[N@H+]1C[C@H](O)Cn1cccn1 ZINC000188605469 533548288 /nfs/dbraw/zinc/54/82/88/533548288.db2.gz CAIXBOLMXQPNJR-GARJFASQSA-N 1 2 269.301 -1.148 20 0 CAADLO COC(=O)[C@H]1C[C@H]1C(=O)NC[C@@H](O)C[NH+]1CCOCC1 ZINC000467060203 533554116 /nfs/dbraw/zinc/55/41/16/533554116.db2.gz OMMQBDIVLZYSID-MXWKQRLJSA-N 1 2 286.328 -1.395 20 0 CAADLO COC(=O)[C@](C)(O)C[NH+]1CCN(S(C)(=O)=O)CC1 ZINC000080211607 533571633 /nfs/dbraw/zinc/57/16/33/533571633.db2.gz GPDYATDXCQYFBJ-SNVBAGLBSA-N 1 2 280.346 -1.512 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCc2ccon2)C1 ZINC001194694103 781994828 /nfs/dbraw/zinc/99/48/28/781994828.db2.gz FSZYIOUDWHFDGN-FBIMIBRVSA-N 1 2 296.327 -1.358 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCc2ccon2)C1 ZINC001194694103 781994835 /nfs/dbraw/zinc/99/48/35/781994835.db2.gz FSZYIOUDWHFDGN-FBIMIBRVSA-N 1 2 296.327 -1.358 20 0 CAADLO COC(=O)C[C@@H]1C[N@H+](CCCS(N)(=O)=O)CCO1 ZINC000494933424 533643239 /nfs/dbraw/zinc/64/32/39/533643239.db2.gz UYUFNXRRELYTFS-SECBINFHSA-N 1 2 280.346 -1.071 20 0 CAADLO COC(=O)C[C@@H]1C[N@@H+](CCCS(N)(=O)=O)CCO1 ZINC000494933424 533643244 /nfs/dbraw/zinc/64/32/44/533643244.db2.gz UYUFNXRRELYTFS-SECBINFHSA-N 1 2 280.346 -1.071 20 0 CAADLO C[C@@H](O)CN1C(=O)C(=O)N(CCC[NH+]2CCOCC2)C1=O ZINC000440602513 533660083 /nfs/dbraw/zinc/66/00/83/533660083.db2.gz YYAFFEWQYFAIKT-SNVBAGLBSA-N 1 2 299.327 -1.120 20 0 CAADLO CC[C@H](C(=O)N[C@@H](CO)C(N)=O)[N@@H+]1CCO[C@H](CC)C1 ZINC000341744779 130017793 /nfs/dbraw/zinc/01/77/93/130017793.db2.gz IEKGLVHJQPTATN-OUAUKWLOSA-N 1 2 287.360 -1.162 20 0 CAADLO CC[C@H](C(=O)N[C@@H](CO)C(N)=O)[N@H+]1CCO[C@H](CC)C1 ZINC000341744779 130017796 /nfs/dbraw/zinc/01/77/96/130017796.db2.gz IEKGLVHJQPTATN-OUAUKWLOSA-N 1 2 287.360 -1.162 20 0 CAADLO N=c1nc(N2CC[NH+](CC(N)=O)CC2)nc2[nH][nH]cc1-2 ZINC000341915253 130126963 /nfs/dbraw/zinc/12/69/63/130126963.db2.gz JDTIWRDPHDBHAG-UHFFFAOYSA-N 1 2 276.304 -1.676 20 0 CAADLO CC(C)Nc1nc(NCCO)[nH+]c(NCC2(C)COC2)n1 ZINC000342111306 130269331 /nfs/dbraw/zinc/26/93/31/130269331.db2.gz KPWVGKPMKSSRJS-UHFFFAOYSA-N 1 2 296.375 -1.190 20 0 CAADLO CC(C)Nc1nc(NCCO)nc(NCC2(C)COC2)[nH+]1 ZINC000342111306 130269333 /nfs/dbraw/zinc/26/93/33/130269333.db2.gz KPWVGKPMKSSRJS-UHFFFAOYSA-N 1 2 296.375 -1.190 20 0 CAADLO CC(C)Nc1nc(NCC2(C)COC2)nc(NCCO)[nH+]1 ZINC000342111306 130269337 /nfs/dbraw/zinc/26/93/37/130269337.db2.gz KPWVGKPMKSSRJS-UHFFFAOYSA-N 1 2 296.375 -1.190 20 0 CAADLO CN(CC[NH+]1CCOCC1)C(=O)NCCc1nnnn1C ZINC000678563376 545608836 /nfs/dbraw/zinc/60/88/36/545608836.db2.gz CTDYEYYMURQSMR-UHFFFAOYSA-N 1 2 297.363 -1.274 20 0 CAADLO CC(=O)N[C@H](C)C(=O)N1CCC[N@@H+]([C@@H]2CCNC2=O)CC1 ZINC001194754717 781995785 /nfs/dbraw/zinc/99/57/85/781995785.db2.gz NCGUAFXYIWQZCZ-ZYHUDNBSSA-N 1 2 296.371 -1.066 20 0 CAADLO CC(=O)N[C@H](C)C(=O)N1CCC[N@H+]([C@@H]2CCNC2=O)CC1 ZINC001194754717 781995797 /nfs/dbraw/zinc/99/57/97/781995797.db2.gz NCGUAFXYIWQZCZ-ZYHUDNBSSA-N 1 2 296.371 -1.066 20 0 CAADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)CNC(N)=O)CC1 ZINC001194810492 781996353 /nfs/dbraw/zinc/99/63/53/781996353.db2.gz BDBUVJBGTPWHGN-UHFFFAOYSA-N 1 2 285.348 -1.675 20 0 CAADLO CCNC(=O)C[N@H+]1CCCN(C(=O)CNC(N)=O)CC1 ZINC001194810492 781996360 /nfs/dbraw/zinc/99/63/60/781996360.db2.gz BDBUVJBGTPWHGN-UHFFFAOYSA-N 1 2 285.348 -1.675 20 0 CAADLO CNC(=O)C[N@@H+]1CCCN(C(=O)[C@H](C)NC(C)=O)CC1 ZINC001194755298 781996943 /nfs/dbraw/zinc/99/69/43/781996943.db2.gz ZLSGFSNTRUQSQR-JTQLQIEISA-N 1 2 284.360 -1.209 20 0 CAADLO CNC(=O)C[N@H+]1CCCN(C(=O)[C@H](C)NC(C)=O)CC1 ZINC001194755298 781996952 /nfs/dbraw/zinc/99/69/52/781996952.db2.gz ZLSGFSNTRUQSQR-JTQLQIEISA-N 1 2 284.360 -1.209 20 0 CAADLO CC[N@@H+]1CCOC[C@H]1C(=O)NCCc1nnnn1C ZINC000678577818 545609891 /nfs/dbraw/zinc/60/98/91/545609891.db2.gz GODFQVCZEIBSLP-VIFPVBQESA-N 1 2 268.321 -1.411 20 0 CAADLO CC[N@H+]1CCOC[C@H]1C(=O)NCCc1nnnn1C ZINC000678577818 545609896 /nfs/dbraw/zinc/60/98/96/545609896.db2.gz GODFQVCZEIBSLP-VIFPVBQESA-N 1 2 268.321 -1.411 20 0 CAADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)N=c1nc[nH]n1C ZINC000678662767 545609761 /nfs/dbraw/zinc/60/97/61/545609761.db2.gz LOAIFIUOYHZYNJ-SNVBAGLBSA-N 1 2 298.347 -1.606 20 0 CAADLO CC(=O)N(C)CC(=O)N1CCC[N@@H+]([C@@H](C)C(N)=O)CC1 ZINC001194904543 781997561 /nfs/dbraw/zinc/99/75/61/781997561.db2.gz DXOMWSOZBVAMTK-JTQLQIEISA-N 1 2 284.360 -1.127 20 0 CAADLO CC(=O)N(C)CC(=O)N1CCC[N@H+]([C@@H](C)C(N)=O)CC1 ZINC001194904543 781997571 /nfs/dbraw/zinc/99/75/71/781997571.db2.gz DXOMWSOZBVAMTK-JTQLQIEISA-N 1 2 284.360 -1.127 20 0 CAADLO O=C(CN1CC[NH2+]CC1=O)N[C@@H]1CCc2ncnn2C1 ZINC000575120773 335068825 /nfs/dbraw/zinc/06/88/25/335068825.db2.gz JTAQWNNNHLSTGQ-SECBINFHSA-N 1 2 278.316 -1.859 20 0 CAADLO O=C(CN1CC[NH2+]CC1=O)N[C@H]1CCc2ncnn2C1 ZINC000575120774 335068847 /nfs/dbraw/zinc/06/88/47/335068847.db2.gz JTAQWNNNHLSTGQ-VIFPVBQESA-N 1 2 278.316 -1.859 20 0 CAADLO CCNC(=O)CC(=O)N1CC[NH+](CC(=O)N(C)C)CC1 ZINC000679624308 545611977 /nfs/dbraw/zinc/61/19/77/545611977.db2.gz UYLCEAUYAZJSLZ-UHFFFAOYSA-N 1 2 284.360 -1.255 20 0 CAADLO C[C@@H](C[NH+]1CCOCC1)C(=O)NCc1nn[nH]n1 ZINC000680877683 545613939 /nfs/dbraw/zinc/61/39/39/545613939.db2.gz NATSSZQTMAKFEA-QMMMGPOBSA-N 1 2 254.294 -1.216 20 0 CAADLO C[C@H](C[NH+]1CCOCC1)C(=O)NCc1nn[nH]n1 ZINC000680877682 545614012 /nfs/dbraw/zinc/61/40/12/545614012.db2.gz NATSSZQTMAKFEA-MRVPVSSYSA-N 1 2 254.294 -1.216 20 0 CAADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@H]1CCN(C)C1=O ZINC000681304261 545614689 /nfs/dbraw/zinc/61/46/89/545614689.db2.gz MAOWYVSFUGVVCO-RYUDHWBXSA-N 1 2 299.371 -1.384 20 0 CAADLO CNC(=O)CC(=O)N1CC[NH+](CC(=O)N(C)C)CC1 ZINC000681225293 545614836 /nfs/dbraw/zinc/61/48/36/545614836.db2.gz LWYLEFWSYFZBEX-UHFFFAOYSA-N 1 2 270.333 -1.645 20 0 CAADLO CN1CC[C@@H](C(=O)N2CC[NH+](C(C)(C)C(N)=O)CC2)C1=O ZINC000681300146 545614519 /nfs/dbraw/zinc/61/45/19/545614519.db2.gz HXXJYGPFIRBIMY-SNVBAGLBSA-N 1 2 296.371 -1.127 20 0 CAADLO O=C(NCCN1CCNC(=O)C1)[C@H]1CCc2[nH+]ccn2C1 ZINC000682529277 545617763 /nfs/dbraw/zinc/61/77/63/545617763.db2.gz VMAZOLFSMGZLJY-NSHDSACASA-N 1 2 291.355 -1.007 20 0 CAADLO CC(C)(C(N)=O)C(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000683488502 545619069 /nfs/dbraw/zinc/61/90/69/545619069.db2.gz DJPYFHDKCQMHRQ-VIFPVBQESA-N 1 2 254.334 -1.386 20 0 CAADLO Cn1ncc2c1nc(N1C[C@H](O)C[C@H](O)C1)[nH+]c2N ZINC000683459088 545618777 /nfs/dbraw/zinc/61/87/77/545618777.db2.gz NARUQWKRLYVEOK-KNVOCYPGSA-N 1 2 264.289 -1.123 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CCCN(C(=O)CNC(=O)C2CC2)CC1 ZINC001195025459 782000705 /nfs/dbraw/zinc/00/07/05/782000705.db2.gz NWHQNPYBDUHNIC-SNVBAGLBSA-N 1 2 296.371 -1.079 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CCCN(C(=O)CNC(=O)C2CC2)CC1 ZINC001195025459 782000715 /nfs/dbraw/zinc/00/07/15/782000715.db2.gz NWHQNPYBDUHNIC-SNVBAGLBSA-N 1 2 296.371 -1.079 20 0 CAADLO CO[C@@H](C)C(=O)N1CCC[N@H+](CC(=O)NC(N)=O)CC1 ZINC001195036024 782000816 /nfs/dbraw/zinc/00/08/16/782000816.db2.gz XAVZBXBHPBYVLB-VIFPVBQESA-N 1 2 286.332 -1.250 20 0 CAADLO CO[C@@H](C)C(=O)N1CCC[N@@H+](CC(=O)NC(N)=O)CC1 ZINC001195036024 782000825 /nfs/dbraw/zinc/00/08/25/782000825.db2.gz XAVZBXBHPBYVLB-VIFPVBQESA-N 1 2 286.332 -1.250 20 0 CAADLO Cn1c[nH+]c(CN2CCN3C(=O)C(=O)NC[C@@H]3C2)c1 ZINC000683897601 545619995 /nfs/dbraw/zinc/61/99/95/545619995.db2.gz DHOWRGCMGOKAPT-SNVBAGLBSA-N 1 2 263.301 -1.437 20 0 CAADLO C[C@H](NS(=O)(=O)c1cnnn1C)[C@H]1C[N@H+](C)CCO1 ZINC000684584982 545621881 /nfs/dbraw/zinc/62/18/81/545621881.db2.gz VMGFTMRKXWVFOC-DTWKUNHWSA-N 1 2 289.361 -1.188 20 0 CAADLO C[C@H](NS(=O)(=O)c1cnnn1C)[C@H]1C[N@@H+](C)CCO1 ZINC000684584982 545621885 /nfs/dbraw/zinc/62/18/85/545621885.db2.gz VMGFTMRKXWVFOC-DTWKUNHWSA-N 1 2 289.361 -1.188 20 0 CAADLO O=C(NC[C@@H]1C[NH+]2CCN1CC2)[C@@H]1COCCO1 ZINC000178728253 545623933 /nfs/dbraw/zinc/62/39/33/545623933.db2.gz NAKQNZCVTGDJRE-MNOVXSKESA-N 1 2 255.318 -1.482 20 0 CAADLO C[C@@H](CNC(=O)CN1C(=O)CN(C)C1=O)[NH+]1CCOCC1 ZINC000046268870 545624153 /nfs/dbraw/zinc/62/41/53/545624153.db2.gz LHEFWUVOSCNTJC-JTQLQIEISA-N 1 2 298.343 -1.283 20 0 CAADLO CC(=O)N[C@H](C)C(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000178652571 545624393 /nfs/dbraw/zinc/62/43/93/545624393.db2.gz ASTHJXAUVFOTPY-KOLCDFICSA-N 1 2 254.334 -1.373 20 0 CAADLO COC(=O)C[C@H](C)C(=O)N[C@@H](CO)C[NH+]1CCOCC1 ZINC000425283478 533675428 /nfs/dbraw/zinc/67/54/28/533675428.db2.gz BZPSUMRVZAXQNW-WDEREUQCSA-N 1 2 288.344 -1.005 20 0 CAADLO COC(=O)C[C@H](C)C(=O)N[C@H](CO)C[NH+]1CCOCC1 ZINC000425283474 533675456 /nfs/dbraw/zinc/67/54/56/533675456.db2.gz BZPSUMRVZAXQNW-QWRGUYRKSA-N 1 2 288.344 -1.005 20 0 CAADLO C[C@@H](C(N)=O)N1C[C@@H](O)[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001195128660 782002423 /nfs/dbraw/zinc/00/24/23/782002423.db2.gz MFRBSVVFWLHAOC-HBNTYKKESA-N 1 2 295.343 -1.692 20 0 CAADLO Cc1ccc(O)c(C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@@H]32)n1 ZINC001195335084 782006267 /nfs/dbraw/zinc/00/62/67/782006267.db2.gz CRSMQEQEPGGBPL-GARJFASQSA-N 1 2 278.316 -1.772 20 0 CAADLO CC(C)NC(=O)C[N@@H+]1CCCN(C(=O)CC(N)=O)CC1 ZINC001195364231 782007415 /nfs/dbraw/zinc/00/74/15/782007415.db2.gz LBQYSCJAKMLZQQ-UHFFFAOYSA-N 1 2 284.360 -1.079 20 0 CAADLO CC(C)NC(=O)C[N@H+]1CCCN(C(=O)CC(N)=O)CC1 ZINC001195364231 782007425 /nfs/dbraw/zinc/00/74/25/782007425.db2.gz LBQYSCJAKMLZQQ-UHFFFAOYSA-N 1 2 284.360 -1.079 20 0 CAADLO C[C@@H]1COCCN1CC[N@@H+]1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000407960735 297125404 /nfs/dbraw/zinc/12/54/04/297125404.db2.gz ZKTNTSWASRJDMR-GHMZBOCLSA-N 1 2 282.344 -1.057 20 0 CAADLO C[C@@H]1COCCN1CC[N@H+]1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000407960735 297125407 /nfs/dbraw/zinc/12/54/07/297125407.db2.gz ZKTNTSWASRJDMR-GHMZBOCLSA-N 1 2 282.344 -1.057 20 0 CAADLO CNC(=O)CCCC(=O)N1CCC[N@H+](CC(N)=O)CC1 ZINC001195588399 782010256 /nfs/dbraw/zinc/01/02/56/782010256.db2.gz GJIGXMSUWIDJHS-UHFFFAOYSA-N 1 2 284.360 -1.078 20 0 CAADLO CNC(=O)CCCC(=O)N1CCC[N@@H+](CC(N)=O)CC1 ZINC001195588399 782010262 /nfs/dbraw/zinc/01/02/62/782010262.db2.gz GJIGXMSUWIDJHS-UHFFFAOYSA-N 1 2 284.360 -1.078 20 0 CAADLO C[C@H](C(=O)NC(N)=O)[N@@H+]1CCN2CCOC[C@@H]2C1 ZINC000368212502 298133795 /nfs/dbraw/zinc/13/37/95/298133795.db2.gz OJRNELNBDXQQSE-BDAKNGLRSA-N 1 2 256.306 -1.414 20 0 CAADLO C[C@H](C(=O)NC(N)=O)[N@H+]1CCN2CCOC[C@@H]2C1 ZINC000368212502 298133796 /nfs/dbraw/zinc/13/37/96/298133796.db2.gz OJRNELNBDXQQSE-BDAKNGLRSA-N 1 2 256.306 -1.414 20 0 CAADLO CCNC(=O)CC(=O)N1CCC[N@H+](CC(=O)NC)CC1 ZINC001195581619 782010704 /nfs/dbraw/zinc/01/07/04/782010704.db2.gz ZHEJLMLOKGIYOT-UHFFFAOYSA-N 1 2 284.360 -1.207 20 0 CAADLO CCNC(=O)CC(=O)N1CCC[N@@H+](CC(=O)NC)CC1 ZINC001195581619 782010713 /nfs/dbraw/zinc/01/07/13/782010713.db2.gz ZHEJLMLOKGIYOT-UHFFFAOYSA-N 1 2 284.360 -1.207 20 0 CAADLO C[C@H]1C(=O)N(C)CN1C(=O)C(=O)NCCn1cc[nH+]c1 ZINC000646973581 409328586 /nfs/dbraw/zinc/32/85/86/409328586.db2.gz FYBVJVYGPHRXBW-VIFPVBQESA-N 1 2 279.300 -1.354 20 0 CAADLO O=C1C[N@H+](C[C@H](O)COC[C@@H]2CCCO2)CCN1 ZINC000072112824 409328596 /nfs/dbraw/zinc/32/85/96/409328596.db2.gz YSYTUPWPHBCAKA-QWRGUYRKSA-N 1 2 258.318 -1.025 20 0 CAADLO O=C1C[N@@H+](C[C@H](O)COC[C@@H]2CCCO2)CCN1 ZINC000072112824 409328600 /nfs/dbraw/zinc/32/86/00/409328600.db2.gz YSYTUPWPHBCAKA-QWRGUYRKSA-N 1 2 258.318 -1.025 20 0 CAADLO C[N@@H+]1CCO[C@@H]2CCN(CCNS(C)(=O)=O)C[C@@H]21 ZINC000332685548 409319879 /nfs/dbraw/zinc/31/98/79/409319879.db2.gz OKCTZQNJKVEPSH-WDEREUQCSA-N 1 2 277.390 -1.060 20 0 CAADLO C[N@H+]1CCO[C@@H]2CCN(CCNS(C)(=O)=O)C[C@@H]21 ZINC000332685548 409319882 /nfs/dbraw/zinc/31/98/82/409319882.db2.gz OKCTZQNJKVEPSH-WDEREUQCSA-N 1 2 277.390 -1.060 20 0 CAADLO C[C@@H]1C(=O)N(C)CN1C(=O)C(=O)NCc1[nH+]ccn1C ZINC000647027607 409328196 /nfs/dbraw/zinc/32/81/96/409328196.db2.gz SMSSEUQLBYRHHW-MRVPVSSYSA-N 1 2 279.300 -1.317 20 0 CAADLO C[C@H]1CN(CC[N@@H+]2CCN3C(=O)NC(=O)[C@H]3C2)CCO1 ZINC000407961612 409356975 /nfs/dbraw/zinc/35/69/75/409356975.db2.gz JAEWUYPLTWJNHY-WDEREUQCSA-N 1 2 282.344 -1.057 20 0 CAADLO C[C@H]1CN(CC[N@H+]2CCN3C(=O)NC(=O)[C@H]3C2)CCO1 ZINC000407961612 409356978 /nfs/dbraw/zinc/35/69/78/409356978.db2.gz JAEWUYPLTWJNHY-WDEREUQCSA-N 1 2 282.344 -1.057 20 0 CAADLO CNC(=O)NCC(=O)N[C@@H](CO)C[NH+]1CCOCC1 ZINC000647662152 409358386 /nfs/dbraw/zinc/35/83/86/409358386.db2.gz KTZUSTHFMWUKBR-SECBINFHSA-N 1 2 274.321 -2.275 20 0 CAADLO O=C(Cn1cccn1)N[C@H](CO)C[NH+]1CCOCC1 ZINC000647662026 409358685 /nfs/dbraw/zinc/35/86/85/409358685.db2.gz AQHMYYPNFGUBBE-NSHDSACASA-N 1 2 268.317 -1.308 20 0 CAADLO O=C(N[C@@H](CO)C[NH+]1CCOCC1)[C@H]1CCC(=O)NC1 ZINC000644456964 409366169 /nfs/dbraw/zinc/36/61/69/409366169.db2.gz LMAQYPKGZYCKGH-WDEREUQCSA-N 1 2 285.344 -1.678 20 0 CAADLO O=C(N[C@@H](CO)C[NH+]1CCOCC1)[C@@H]1CCC(=O)NC1 ZINC000644456961 409367445 /nfs/dbraw/zinc/36/74/45/409367445.db2.gz LMAQYPKGZYCKGH-GHMZBOCLSA-N 1 2 285.344 -1.678 20 0 CAADLO CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N1CC[NH+](CCO)CC1 ZINC000651083571 409371583 /nfs/dbraw/zinc/37/15/83/409371583.db2.gz DSMCWKTVKABABL-MNOVXSKESA-N 1 2 269.345 -1.153 20 0 CAADLO Cn1c(=O)cc(NCC[NH+]2CCOCC2)n(C)c1=O ZINC000039262847 409372631 /nfs/dbraw/zinc/37/26/31/409372631.db2.gz UTRHODNCAOAMIT-UHFFFAOYSA-N 1 2 268.317 -1.172 20 0 CAADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@H]1CCS(=O)(=O)N1 ZINC000651108634 409373382 /nfs/dbraw/zinc/37/33/82/409373382.db2.gz SLEFXCZUDOTBSG-VHSXEESVSA-N 1 2 291.373 -1.485 20 0 CAADLO CN1C[C@H](C[N@@H+]2CCN3C(=O)NC(=O)[C@H]3C2)OC1=O ZINC000497222156 409377934 /nfs/dbraw/zinc/37/79/34/409377934.db2.gz YGJQCCRJKUADPH-HTQZYQBOSA-N 1 2 268.273 -1.327 20 0 CAADLO CN1C[C@H](C[N@H+]2CCN3C(=O)NC(=O)[C@H]3C2)OC1=O ZINC000497222156 409377941 /nfs/dbraw/zinc/37/79/41/409377941.db2.gz YGJQCCRJKUADPH-HTQZYQBOSA-N 1 2 268.273 -1.327 20 0 CAADLO C[C@@H](NC(=O)C[N@H+](C)C[C@@H]1COCCO1)C(=O)N(C)C ZINC000661605715 409378820 /nfs/dbraw/zinc/37/88/20/409378820.db2.gz QJLJQTMPLYJNNL-GHMZBOCLSA-N 1 2 287.360 -1.074 20 0 CAADLO C[C@@H](NC(=O)C[N@@H+](C)C[C@@H]1COCCO1)C(=O)N(C)C ZINC000661605715 409378824 /nfs/dbraw/zinc/37/88/24/409378824.db2.gz QJLJQTMPLYJNNL-GHMZBOCLSA-N 1 2 287.360 -1.074 20 0 CAADLO O=C(NC[C@@H]1C[NH+]2CCN1CC2)[C@@H]1CCS(=O)(=O)N1 ZINC000651553260 409383457 /nfs/dbraw/zinc/38/34/57/409383457.db2.gz LRVHOARBZLNCAI-ZJUUUORDSA-N 1 2 288.373 -2.206 20 0 CAADLO COC[C@H](C)n1ccc(NC(=O)CN2CC[NH2+]CC2=O)n1 ZINC000580072133 409386353 /nfs/dbraw/zinc/38/63/53/409386353.db2.gz OJQNFRBQBISTFS-JTQLQIEISA-N 1 2 295.343 -0.539 20 0 CAADLO CN(C)C(=O)Cn1nc2n(c1=O)CC[N@@H+](CC(C)(C)O)C2 ZINC000365001095 409387536 /nfs/dbraw/zinc/38/75/36/409387536.db2.gz RSXPPZOXLANWDC-UHFFFAOYSA-N 1 2 297.359 -1.281 20 0 CAADLO CN(C)C(=O)Cn1nc2n(c1=O)CC[N@H+](CC(C)(C)O)C2 ZINC000365001095 409387540 /nfs/dbraw/zinc/38/75/40/409387540.db2.gz RSXPPZOXLANWDC-UHFFFAOYSA-N 1 2 297.359 -1.281 20 0 CAADLO O=C(CNC(=O)NCC[NH+]1CCOCC1)NC1CC1 ZINC000045546346 409391039 /nfs/dbraw/zinc/39/10/39/409391039.db2.gz AFIBLSIENQKCNW-UHFFFAOYSA-N 1 2 270.333 -1.104 20 0 CAADLO O=S(=O)(C1COC1)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000651882116 409391609 /nfs/dbraw/zinc/39/16/09/409391609.db2.gz BXHAGYRGWLZMNG-SECBINFHSA-N 1 2 262.331 -1.534 20 0 CAADLO O=S(=O)(C1COC1)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000651882116 409391615 /nfs/dbraw/zinc/39/16/15/409391615.db2.gz BXHAGYRGWLZMNG-SECBINFHSA-N 1 2 262.331 -1.534 20 0 CAADLO Cn1nccc1S(=O)(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000651882407 409391636 /nfs/dbraw/zinc/39/16/36/409391636.db2.gz NVYKNZMSKKPTOM-SNVBAGLBSA-N 1 2 286.357 -1.140 20 0 CAADLO Cn1nccc1S(=O)(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000651882407 409391639 /nfs/dbraw/zinc/39/16/39/409391639.db2.gz NVYKNZMSKKPTOM-SNVBAGLBSA-N 1 2 286.357 -1.140 20 0 CAADLO O=S(=O)(N1CC([N@@H+]2CC[C@@H](O)C2)C1)N1CCOCC1 ZINC000651881874 409391701 /nfs/dbraw/zinc/39/17/01/409391701.db2.gz SLWHTTWZXXIVFL-LLVKDONJSA-N 1 2 291.373 -1.686 20 0 CAADLO O=S(=O)(N1CC([N@H+]2CC[C@@H](O)C2)C1)N1CCOCC1 ZINC000651881874 409391707 /nfs/dbraw/zinc/39/17/07/409391707.db2.gz SLWHTTWZXXIVFL-LLVKDONJSA-N 1 2 291.373 -1.686 20 0 CAADLO CCNC(=O)CC[NH+]1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC000048009081 409395011 /nfs/dbraw/zinc/39/50/11/409395011.db2.gz MYLJCJHGEDBEMH-UHFFFAOYSA-N 1 2 296.371 -1.065 20 0 CAADLO O=C(CN1CC[NH2+]CC1=O)N1CC[C@H](Cn2ccnn2)C1 ZINC000662619473 409330700 /nfs/dbraw/zinc/33/07/00/409330700.db2.gz NTICKOXTGGZZCX-NSHDSACASA-N 1 2 292.343 -1.442 20 0 CAADLO O=C(CN1CC[NH2+]CC1=O)N1CC[C@@H](Cn2ccnn2)C1 ZINC000662619472 409331180 /nfs/dbraw/zinc/33/11/80/409331180.db2.gz NTICKOXTGGZZCX-LLVKDONJSA-N 1 2 292.343 -1.442 20 0 CAADLO CO[C@@H]1CS(=O)(=O)C[C@@H]1[NH+]1CC(C)(C(N)=O)C1 ZINC000660897365 409335356 /nfs/dbraw/zinc/33/53/56/409335356.db2.gz HXQLQQIJXATPPD-JGVFFNPUSA-N 1 2 262.331 -1.394 20 0 CAADLO O=C(CN1CC[NH2+]CC1=O)N1CC[C@@H]2COC[C@@H]2C1 ZINC000662709373 409336272 /nfs/dbraw/zinc/33/62/72/409336272.db2.gz BCHDYESWNIWNEL-MNOVXSKESA-N 1 2 267.329 -1.087 20 0 CAADLO C[C@@]1(C(N)=O)CCN(C(=O)CN2CC[NH2+]CC2=O)C1 ZINC000662902065 409337807 /nfs/dbraw/zinc/33/78/07/409337807.db2.gz KYTCGAZKCIGETM-GFCCVEGCSA-N 1 2 268.317 -1.858 20 0 CAADLO C[C@@H](CNC(=O)CN1CC[NH2+]CC1=O)S(C)(=O)=O ZINC000662975657 409338147 /nfs/dbraw/zinc/33/81/47/409338147.db2.gz YADGAXWZQWQMCA-QMMMGPOBSA-N 1 2 277.346 -2.033 20 0 CAADLO C[C@@H](O)C[NH+]1CCN(S(=O)(=O)c2cnnn2C)CC1 ZINC000358916514 409344009 /nfs/dbraw/zinc/34/40/09/409344009.db2.gz SPDRYNUOPRDYBD-SECBINFHSA-N 1 2 289.361 -1.498 20 0 CAADLO CC(C)Cn1c(N)c(C(=O)C[N@H+](C)CCO)c(=O)[nH]c1=O ZINC000121454723 409344721 /nfs/dbraw/zinc/34/47/21/409344721.db2.gz ASMAGNVVQPNCJP-UHFFFAOYSA-N 1 2 298.343 -1.118 20 0 CAADLO CC(C)Cn1c(N)c(C(=O)C[N@@H+](C)CCO)c(=O)[nH]c1=O ZINC000121454723 409344725 /nfs/dbraw/zinc/34/47/25/409344725.db2.gz ASMAGNVVQPNCJP-UHFFFAOYSA-N 1 2 298.343 -1.118 20 0 CAADLO C[N@@H+]1CCCN(C(=O)CN2CCS(=O)(=O)CC2)CC1 ZINC000119297598 409345050 /nfs/dbraw/zinc/34/50/50/409345050.db2.gz DCHGJXMKGLXTPT-UHFFFAOYSA-N 1 2 289.401 -1.119 20 0 CAADLO C[N@H+]1CCCN(C(=O)CN2CCS(=O)(=O)CC2)CC1 ZINC000119297598 409345055 /nfs/dbraw/zinc/34/50/55/409345055.db2.gz DCHGJXMKGLXTPT-UHFFFAOYSA-N 1 2 289.401 -1.119 20 0 CAADLO CN1CC[N@H+](C)[C@H](CNC(=O)N[C@H]2C[C@@H](C(N)=O)C2)C1 ZINC000650865883 409347559 /nfs/dbraw/zinc/34/75/59/409347559.db2.gz XAFDSSMLAQSHPM-OUAUKWLOSA-N 1 2 283.376 -1.205 20 0 CAADLO CN1CC[N@@H+](C)[C@H](CNC(=O)N[C@H]2C[C@@H](C(N)=O)C2)C1 ZINC000650865883 409347564 /nfs/dbraw/zinc/34/75/64/409347564.db2.gz XAFDSSMLAQSHPM-OUAUKWLOSA-N 1 2 283.376 -1.205 20 0 CAADLO CCN1C[C@@H](NC(=O)CN2CC[NH2+]CC2=O)CC1=O ZINC000648203670 409348543 /nfs/dbraw/zinc/34/85/43/409348543.db2.gz YDPCOQZJWJXQHK-VIFPVBQESA-N 1 2 268.317 -1.845 20 0 CAADLO C[C@H](O)C(=O)NC[C@H]1CN(C(=O)[C@H](C)O)CC[N@@H+]1C ZINC000652497880 409399545 /nfs/dbraw/zinc/39/95/45/409399545.db2.gz OJSAQZDFPYNJJO-GUBZILKMSA-N 1 2 273.333 -1.993 20 0 CAADLO C[C@H](O)C(=O)NC[C@H]1CN(C(=O)[C@H](C)O)CC[N@H+]1C ZINC000652497880 409399549 /nfs/dbraw/zinc/39/95/49/409399549.db2.gz OJSAQZDFPYNJJO-GUBZILKMSA-N 1 2 273.333 -1.993 20 0 CAADLO C[N@@H+]1CCOC[C@H]1CNC(=O)CCCc1nn[nH]n1 ZINC000636279484 409350542 /nfs/dbraw/zinc/35/05/42/409350542.db2.gz RFKGTWQPLLRFBM-SECBINFHSA-N 1 2 268.321 -1.031 20 0 CAADLO C[N@H+]1CCOC[C@H]1CNC(=O)CCCc1nn[nH]n1 ZINC000636279484 409350548 /nfs/dbraw/zinc/35/05/48/409350548.db2.gz RFKGTWQPLLRFBM-SECBINFHSA-N 1 2 268.321 -1.031 20 0 CAADLO O=C1C[C@@H]([N@H+]2C[C@@H](O)[C@@H](O)C2)C(=O)N1CC(F)(F)F ZINC000653282115 409351873 /nfs/dbraw/zinc/35/18/73/409351873.db2.gz MQMFUGLIGOTYJI-QYNIQEEDSA-N 1 2 282.218 -1.286 20 0 CAADLO O=C1C[C@@H]([N@@H+]2C[C@@H](O)[C@@H](O)C2)C(=O)N1CC(F)(F)F ZINC000653282115 409351877 /nfs/dbraw/zinc/35/18/77/409351877.db2.gz MQMFUGLIGOTYJI-QYNIQEEDSA-N 1 2 282.218 -1.286 20 0 CAADLO COCCN1C(=O)C[C@@H]([N@H+]2C[C@@H](O)[C@@H](O)C2)C1=O ZINC000653282268 409353291 /nfs/dbraw/zinc/35/32/91/409353291.db2.gz SQXURSPXIWYNHC-HLTSFMKQSA-N 1 2 258.274 -2.202 20 0 CAADLO COCCN1C(=O)C[C@@H]([N@@H+]2C[C@@H](O)[C@@H](O)C2)C1=O ZINC000653282268 409353295 /nfs/dbraw/zinc/35/32/95/409353295.db2.gz SQXURSPXIWYNHC-HLTSFMKQSA-N 1 2 258.274 -2.202 20 0 CAADLO CCn1cc(N2C(=O)C[C@H]([N@H+]3C[C@@H](O)[C@@H](O)C3)C2=O)cn1 ZINC000653281915 409353308 /nfs/dbraw/zinc/35/33/08/409353308.db2.gz FSJJGTUFIUAMIZ-GARJFASQSA-N 1 2 294.311 -1.428 20 0 CAADLO CCn1cc(N2C(=O)C[C@H]([N@@H+]3C[C@@H](O)[C@@H](O)C3)C2=O)cn1 ZINC000653281915 409353311 /nfs/dbraw/zinc/35/33/11/409353311.db2.gz FSJJGTUFIUAMIZ-GARJFASQSA-N 1 2 294.311 -1.428 20 0 CAADLO CC[NH+]1CCN(C(=O)C(=O)N2CN(C)C(=O)[C@H]2C)CC1 ZINC000647574094 409355254 /nfs/dbraw/zinc/35/52/54/409355254.db2.gz GAHSJRPMMOMUPH-SNVBAGLBSA-N 1 2 282.344 -1.203 20 0 CAADLO CCNC(=O)CNC(=O)N1C[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000353030848 409458570 /nfs/dbraw/zinc/45/85/70/409458570.db2.gz NNIPTBHEDRKDAY-UWVGGRQHSA-N 1 2 270.333 -1.153 20 0 CAADLO CCNC(=O)CNC(=O)N1C[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000353030848 409458574 /nfs/dbraw/zinc/45/85/74/409458574.db2.gz NNIPTBHEDRKDAY-UWVGGRQHSA-N 1 2 270.333 -1.153 20 0 CAADLO C[N@@H+]1CCO[C@@H](C(=O)N2CCN(Cc3nc[nH]n3)CC2)C1 ZINC000652901938 409459927 /nfs/dbraw/zinc/45/99/27/409459927.db2.gz UXXRYSIFRBUTPK-LLVKDONJSA-N 1 2 294.359 -1.221 20 0 CAADLO C[N@H+]1CCO[C@@H](C(=O)N2CCN(Cc3nc[nH]n3)CC2)C1 ZINC000652901938 409459931 /nfs/dbraw/zinc/45/99/31/409459931.db2.gz UXXRYSIFRBUTPK-LLVKDONJSA-N 1 2 294.359 -1.221 20 0 CAADLO C[N@@H+]1CCO[C@@H](C(=O)N2CCN(Cc3nnc[nH]3)CC2)C1 ZINC000652901938 409459935 /nfs/dbraw/zinc/45/99/35/409459935.db2.gz UXXRYSIFRBUTPK-LLVKDONJSA-N 1 2 294.359 -1.221 20 0 CAADLO C[N@H+]1CCO[C@@H](C(=O)N2CCN(Cc3nnc[nH]3)CC2)C1 ZINC000652901938 409459940 /nfs/dbraw/zinc/45/99/40/409459940.db2.gz UXXRYSIFRBUTPK-LLVKDONJSA-N 1 2 294.359 -1.221 20 0 CAADLO CN(C)C(=O)C1(C(=O)NC[C@@H]2C[NH+]3CCN2CC3)CC1 ZINC000355158679 409402861 /nfs/dbraw/zinc/40/28/61/409402861.db2.gz AZRFXNQENNIOQI-LLVKDONJSA-N 1 2 280.372 -1.029 20 0 CAADLO CNC(=O)NCCC(=O)N1CC[NH+](CC(=O)N(C)C)CC1 ZINC000644857272 409402914 /nfs/dbraw/zinc/40/29/14/409402914.db2.gz QXPZUPICTIPYNA-UHFFFAOYSA-N 1 2 299.375 -1.462 20 0 CAADLO O=C(NCC1([NH+]2CCOCC2)CC1)N1C[C@H](O)C[C@H]1CO ZINC000365602290 409403391 /nfs/dbraw/zinc/40/33/91/409403391.db2.gz WIXYRPVYTZMOFC-NWDGAFQWSA-N 1 2 299.371 -1.012 20 0 CAADLO CN(CC(=O)N[C@H](CO)C[NH+]1CCOCC1)C(=O)C1CC1 ZINC000644885937 409405561 /nfs/dbraw/zinc/40/55/61/409405561.db2.gz UCEFFOYXTWFXIE-LBPRGKRZSA-N 1 2 299.371 -1.336 20 0 CAADLO CN1C[C@H](C(=O)N[C@H](CO)C[NH+]2CCOCC2)CC1=O ZINC000644885001 409405635 /nfs/dbraw/zinc/40/56/35/409405635.db2.gz KZBCPILUMFJZLY-MNOVXSKESA-N 1 2 285.344 -1.726 20 0 CAADLO CNC(=O)NCCC(=O)N[C@H](CO)C[NH+]1CCOCC1 ZINC000644886901 409405846 /nfs/dbraw/zinc/40/58/46/409405846.db2.gz AIKFAWOSKJDYKN-JTQLQIEISA-N 1 2 288.348 -1.885 20 0 CAADLO CNC(=O)C1(C(=O)N[C@@H](CO)C[NH+]2CCOCC2)CCC1 ZINC000644885385 409406069 /nfs/dbraw/zinc/40/60/69/409406069.db2.gz ACULAXLICDLMHE-LLVKDONJSA-N 1 2 299.371 -1.288 20 0 CAADLO O=C(N[C@@H](CO)C[NH+]1CCOCC1)c1cn[nH]c1 ZINC000644884984 409406135 /nfs/dbraw/zinc/40/61/35/409406135.db2.gz JYUGZZXURDDGMO-SNVBAGLBSA-N 1 2 254.290 -1.167 20 0 CAADLO C[C@H](C[NH+]1CCOCC1)NC(=O)CCn1ncn(C)c1=O ZINC000645078552 409408598 /nfs/dbraw/zinc/40/85/98/409408598.db2.gz YUSTWZMSIOLJQM-LLVKDONJSA-N 1 2 297.359 -1.191 20 0 CAADLO CC(C)Nc1nc(NCCO)[nH+]c(NC[C@@H]2CCCO2)n1 ZINC000339975219 409410046 /nfs/dbraw/zinc/41/00/46/409410046.db2.gz FODLZDNCMASSMA-JTQLQIEISA-N 1 2 296.375 -1.047 20 0 CAADLO CC(C)Nc1nc(NC[C@@H]2CCCO2)nc(NCCO)[nH+]1 ZINC000339975219 409410059 /nfs/dbraw/zinc/41/00/59/409410059.db2.gz FODLZDNCMASSMA-JTQLQIEISA-N 1 2 296.375 -1.047 20 0 CAADLO CC(C)Nc1nc(NCCO)nc(NC[C@@H]2CCCO2)[nH+]1 ZINC000339975219 409410063 /nfs/dbraw/zinc/41/00/63/409410063.db2.gz FODLZDNCMASSMA-JTQLQIEISA-N 1 2 296.375 -1.047 20 0 CAADLO O=S1(=O)CCCN1CCNc1[nH+]cnc2c1OCCN2 ZINC000647860819 409410929 /nfs/dbraw/zinc/41/09/29/409410929.db2.gz AFCDQTNTELCGBQ-UHFFFAOYSA-N 1 2 299.356 -1.159 20 0 CAADLO O=S1(=O)CCCN1CCNc1nc[nH+]c2c1OCCN2 ZINC000647860819 409410934 /nfs/dbraw/zinc/41/09/34/409410934.db2.gz AFCDQTNTELCGBQ-UHFFFAOYSA-N 1 2 299.356 -1.159 20 0 CAADLO Cn1ncnc1N1CC[NH+](CC(=O)N2CCOCC2)CC1 ZINC000647849691 409412137 /nfs/dbraw/zinc/41/21/37/409412137.db2.gz DDDBVXKWBWSDGW-UHFFFAOYSA-N 1 2 294.359 -1.204 20 0 CAADLO O=C(NCCCc1n[nH]c(=O)[nH]1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653346601 409412210 /nfs/dbraw/zinc/41/22/10/409412210.db2.gz AESVQEUTCCUQNY-UFBFGSQYSA-N 1 2 281.316 -1.205 20 0 CAADLO Cn1c(N2CC[NH+](CC(N)=O)CC2)cc(=O)n(C)c1=O ZINC000647872974 409415103 /nfs/dbraw/zinc/41/51/03/409415103.db2.gz MXXBCVBILYHKET-UHFFFAOYSA-N 1 2 281.316 -2.309 20 0 CAADLO CN(C[C@@H](O)C[NH+]1CCOCC1)c1ncnn1C ZINC000647872096 409415455 /nfs/dbraw/zinc/41/54/55/409415455.db2.gz YCPYTHGOGCVPEM-SNVBAGLBSA-N 1 2 255.322 -1.056 20 0 CAADLO C[C@H](O)[C@H](NC(=O)C1CC1)C(=O)N1CC[NH+](CCO)CC1 ZINC000354449107 409462138 /nfs/dbraw/zinc/46/21/38/409462138.db2.gz RSRGDQRXAZFRPG-JQWIXIFHSA-N 1 2 299.371 -1.602 20 0 CAADLO C[N@@H+]1CCN(C(=O)COC2(C)C[NH2+]C2)[C@@H](C[NH3+])C1 ZINC000647874463 409415842 /nfs/dbraw/zinc/41/58/42/409415842.db2.gz YSPDISYSEKLVFJ-JTQLQIEISA-N 1 2 256.350 -1.534 20 0 CAADLO CCN1OC[C@@H](N(C)C[C@H](O)C[NH+]2CCOCC2)C1=O ZINC000647966335 409419876 /nfs/dbraw/zinc/41/98/76/409419876.db2.gz OIBRIZGIOOBORT-NWDGAFQWSA-N 1 2 287.360 -1.226 20 0 CAADLO CCN1OC[C@@H](N(C)C[C@@H](O)C[NH+]2CCOCC2)C1=O ZINC000647966337 409420071 /nfs/dbraw/zinc/42/00/71/409420071.db2.gz OIBRIZGIOOBORT-VXGBXAGGSA-N 1 2 287.360 -1.226 20 0 CAADLO COC[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000652781666 409423542 /nfs/dbraw/zinc/42/35/42/409423542.db2.gz KVXGOUXQBSANCB-AXFHLTTASA-N 1 2 258.318 -1.075 20 0 CAADLO COC[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000652781666 409423547 /nfs/dbraw/zinc/42/35/47/409423547.db2.gz KVXGOUXQBSANCB-AXFHLTTASA-N 1 2 258.318 -1.075 20 0 CAADLO COC[C@@H]1C[C@@H](O)CN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000652781667 409423658 /nfs/dbraw/zinc/42/36/58/409423658.db2.gz KVXGOUXQBSANCB-HBNTYKKESA-N 1 2 258.318 -1.075 20 0 CAADLO COC[C@@H]1C[C@@H](O)CN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000652781667 409423663 /nfs/dbraw/zinc/42/36/63/409423663.db2.gz KVXGOUXQBSANCB-HBNTYKKESA-N 1 2 258.318 -1.075 20 0 CAADLO C[C@@H](O)[C@@H](NC(=O)C1CC1)C(=O)N1CC[NH+](CCO)CC1 ZINC000354449113 409460869 /nfs/dbraw/zinc/46/08/69/409460869.db2.gz RSRGDQRXAZFRPG-ZYHUDNBSSA-N 1 2 299.371 -1.602 20 0 CAADLO COC(=O)CN(CC[NH+]1CCOCC1)C(=O)[C@@H](C)O ZINC000345523921 409430240 /nfs/dbraw/zinc/43/02/40/409430240.db2.gz OBLLUTPPSQVBFC-SNVBAGLBSA-N 1 2 274.317 -1.299 20 0 CAADLO C[C@H](Cn1cc[nH+]c1)NC(=O)Cn1ccc(=O)n(C)c1=O ZINC000345595048 409430573 /nfs/dbraw/zinc/43/05/73/409430573.db2.gz FVGOHZODRJSWHR-SNVBAGLBSA-N 1 2 291.311 -1.052 20 0 CAADLO C[C@@H](O)C(=O)N1CC[NH+](CCN2C(=O)CCC2=O)CC1 ZINC000346184773 409434100 /nfs/dbraw/zinc/43/41/00/409434100.db2.gz FUGUPMALIGRUHI-SNVBAGLBSA-N 1 2 283.328 -1.340 20 0 CAADLO C[C@H](O)C(=O)N1CC[NH+](CCN2C(=O)CCC2=O)CC1 ZINC000346184771 409434140 /nfs/dbraw/zinc/43/41/40/409434140.db2.gz FUGUPMALIGRUHI-JTQLQIEISA-N 1 2 283.328 -1.340 20 0 CAADLO COC(=O)CNC(=O)[C@@H](C)[N@@H+]1CCN2C(=O)CC[C@H]2C1 ZINC000346444047 409436445 /nfs/dbraw/zinc/43/64/45/409436445.db2.gz BBVPZZHTWWFCMY-ZJUUUORDSA-N 1 2 283.328 -1.029 20 0 CAADLO COC(=O)CNC(=O)[C@@H](C)[N@H+]1CCN2C(=O)CC[C@H]2C1 ZINC000346444047 409436449 /nfs/dbraw/zinc/43/64/49/409436449.db2.gz BBVPZZHTWWFCMY-ZJUUUORDSA-N 1 2 283.328 -1.029 20 0 CAADLO CC[S@@](=O)CC(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000346376396 409437568 /nfs/dbraw/zinc/43/75/68/409437568.db2.gz CYUZSTZXUVYPPX-NSPYISDASA-N 1 2 292.401 -1.094 20 0 CAADLO CC[NH+]1CCN(C(=O)C(=O)N[C@@H]2CCC(=O)N(C)C2)CC1 ZINC000348628648 409438571 /nfs/dbraw/zinc/43/85/71/409438571.db2.gz UNOCGBHAYGHPBR-LLVKDONJSA-N 1 2 296.371 -1.113 20 0 CAADLO COC(=O)CCNC(=O)C[N@H+]1C[C@H](CO)O[C@@H](C)C1 ZINC000346971379 409440208 /nfs/dbraw/zinc/44/02/08/409440208.db2.gz HCEBEGPPYJNZEN-VHSXEESVSA-N 1 2 274.317 -1.253 20 0 CAADLO COC(=O)CCNC(=O)C[N@@H+]1C[C@H](CO)O[C@@H](C)C1 ZINC000346971379 409440217 /nfs/dbraw/zinc/44/02/17/409440217.db2.gz HCEBEGPPYJNZEN-VHSXEESVSA-N 1 2 274.317 -1.253 20 0 CAADLO C[C@@H](O)[C@@H](NC(=O)C1CC1)C(=O)NCC[NH+]1CCOCC1 ZINC000354412353 409461398 /nfs/dbraw/zinc/46/13/98/409461398.db2.gz KLPGOITXFOWMIV-ZYHUDNBSSA-N 1 2 299.371 -1.290 20 0 CAADLO O=C(C[C@@H]1CCCC(=O)N1)NCCC[N@@H+]1CCNC(=O)C1 ZINC000349081020 409443319 /nfs/dbraw/zinc/44/33/19/409443319.db2.gz USCRWZHAMCLGES-NSHDSACASA-N 1 2 296.371 -1.017 20 0 CAADLO O=C(C[C@@H]1CCCC(=O)N1)NCCC[N@H+]1CCNC(=O)C1 ZINC000349081020 409443324 /nfs/dbraw/zinc/44/33/24/409443324.db2.gz USCRWZHAMCLGES-NSHDSACASA-N 1 2 296.371 -1.017 20 0 CAADLO CN(C)S(=O)(=O)[C@@H]1CCC[N@@H+]([C@@H]2CC(=O)NC2=O)C1 ZINC000519648762 409446294 /nfs/dbraw/zinc/44/62/94/409446294.db2.gz QSNNVDXCYCBOPR-RKDXNWHRSA-N 1 2 289.357 -1.243 20 0 CAADLO CN(C)S(=O)(=O)[C@@H]1CCC[N@H+]([C@@H]2CC(=O)NC2=O)C1 ZINC000519648762 409446299 /nfs/dbraw/zinc/44/62/99/409446299.db2.gz QSNNVDXCYCBOPR-RKDXNWHRSA-N 1 2 289.357 -1.243 20 0 CAADLO COc1c(N)[nH+]cnc1N1CCN(C(=O)CO)CC1 ZINC000519703682 409446584 /nfs/dbraw/zinc/44/65/84/409446584.db2.gz GUTPSBYWRGCTMY-UHFFFAOYSA-N 1 2 267.289 -1.292 20 0 CAADLO COc1c(N)nc[nH+]c1N1CCN(C(=O)CO)CC1 ZINC000519703682 409446587 /nfs/dbraw/zinc/44/65/87/409446587.db2.gz GUTPSBYWRGCTMY-UHFFFAOYSA-N 1 2 267.289 -1.292 20 0 CAADLO O=C(CN1CC[NH2+]CC1=O)N[C@@H]1CCC[C@@H](O)C1 ZINC000648048973 409447107 /nfs/dbraw/zinc/44/71/07/409447107.db2.gz ZJCTVQUQSVFVMD-NXEZZACHSA-N 1 2 255.318 -1.162 20 0 CAADLO NC(=O)CN1CC[N@H+](C[C@@H]2CNc3ccnn3C2)CC1=O ZINC000648043272 409448005 /nfs/dbraw/zinc/44/80/05/409448005.db2.gz PHMFQPDVDKBTIO-JTQLQIEISA-N 1 2 292.343 -1.446 20 0 CAADLO NC(=O)CN1CC[N@@H+](C[C@@H]2CNc3ccnn3C2)CC1=O ZINC000648043272 409448008 /nfs/dbraw/zinc/44/80/08/409448008.db2.gz PHMFQPDVDKBTIO-JTQLQIEISA-N 1 2 292.343 -1.446 20 0 CAADLO O=C(CN1CC[NH2+]CC1=O)N[C@@H]1CCC[C@H](O)C1 ZINC000648048976 409448161 /nfs/dbraw/zinc/44/81/61/409448161.db2.gz ZJCTVQUQSVFVMD-ZJUUUORDSA-N 1 2 255.318 -1.162 20 0 CAADLO Cn1cnc(C(=O)NC[C@@H]2C[NH+]3CCN2CC3)n1 ZINC000329452015 409448231 /nfs/dbraw/zinc/44/82/31/409448231.db2.gz CVSRXRITYVAENB-SECBINFHSA-N 1 2 250.306 -1.455 20 0 CAADLO C[N@H+]1CCN(C(=O)CNC(=O)[C@H]2CCC[NH2+]2)[C@@H](C[NH3+])C1 ZINC000519600110 409448320 /nfs/dbraw/zinc/44/83/20/409448320.db2.gz NUBAHOQJJUWGBM-WDEREUQCSA-N 1 2 283.376 -2.044 20 0 CAADLO COC(=O)CN1CC[NH+](CCS(=O)(=O)N(C)C)CC1 ZINC000351813636 409449324 /nfs/dbraw/zinc/44/93/24/409449324.db2.gz HGUPKBHEHNARRP-UHFFFAOYSA-N 1 2 293.389 -1.332 20 0 CAADLO COC(=O)CNC(=O)[C@H](C)[N@@H+]1CC[C@@H](NC(N)=O)C1 ZINC000330531991 409449878 /nfs/dbraw/zinc/44/98/78/409449878.db2.gz SMYKNXXKHIBBSG-JGVFFNPUSA-N 1 2 272.305 -1.179 20 0 CAADLO COC(=O)CNC(=O)[C@H](C)[N@H+]1CC[C@@H](NC(N)=O)C1 ZINC000330531991 409449885 /nfs/dbraw/zinc/44/98/85/409449885.db2.gz SMYKNXXKHIBBSG-JGVFFNPUSA-N 1 2 272.305 -1.179 20 0 CAADLO C[N@@H+]1CCO[C@@H]2CN(C(=O)CN3CN=NC3=O)C[C@@H]21 ZINC000329546350 409450475 /nfs/dbraw/zinc/45/04/75/409450475.db2.gz AUZFPAKMQDYQRH-DTWKUNHWSA-N 1 2 267.289 -1.475 20 0 CAADLO C[N@H+]1CCO[C@@H]2CN(C(=O)CN3CN=NC3=O)C[C@@H]21 ZINC000329546350 409450477 /nfs/dbraw/zinc/45/04/77/409450477.db2.gz AUZFPAKMQDYQRH-DTWKUNHWSA-N 1 2 267.289 -1.475 20 0 CAADLO COC(=O)[C@H](NC(=O)C[N@H+](C)CC(N)=O)C(C)C ZINC000351382307 409450839 /nfs/dbraw/zinc/45/08/39/409450839.db2.gz IARYKWYOTKWCLD-SNVBAGLBSA-N 1 2 259.306 -1.283 20 0 CAADLO COC(=O)[C@H](NC(=O)C[N@@H+](C)CC(N)=O)C(C)C ZINC000351382307 409450841 /nfs/dbraw/zinc/45/08/41/409450841.db2.gz IARYKWYOTKWCLD-SNVBAGLBSA-N 1 2 259.306 -1.283 20 0 CAADLO C[N@@H+]1CCO[C@@H]2CN(C(=O)CN3CC(=O)NC3=O)C[C@H]21 ZINC000329914007 409451875 /nfs/dbraw/zinc/45/18/75/409451875.db2.gz CFMQUDPTFATJTJ-RKDXNWHRSA-N 1 2 282.300 -1.080 20 0 CAADLO C[N@H+]1CCO[C@@H]2CN(C(=O)CN3CC(=O)NC3=O)C[C@H]21 ZINC000329914007 409451879 /nfs/dbraw/zinc/45/18/79/409451879.db2.gz CFMQUDPTFATJTJ-RKDXNWHRSA-N 1 2 282.300 -1.080 20 0 CAADLO C[N@@H+]1CCO[C@H]2CN(C(=O)CN3CC(=O)NC3=O)C[C@H]21 ZINC000329914001 409452229 /nfs/dbraw/zinc/45/22/29/409452229.db2.gz CFMQUDPTFATJTJ-BDAKNGLRSA-N 1 2 282.300 -1.080 20 0 CAADLO C[N@H+]1CCO[C@H]2CN(C(=O)CN3CC(=O)NC3=O)C[C@H]21 ZINC000329914001 409452235 /nfs/dbraw/zinc/45/22/35/409452235.db2.gz CFMQUDPTFATJTJ-BDAKNGLRSA-N 1 2 282.300 -1.080 20 0 CAADLO C[C@@H]1C[N@H+](CCS(=O)(=O)N(C)C)C[C@@H](C(N)=O)O1 ZINC000351878902 409452479 /nfs/dbraw/zinc/45/24/79/409452479.db2.gz TUMHSQRHLQUCEB-BDAKNGLRSA-N 1 2 279.362 -1.548 20 0 CAADLO C[C@@H]1C[N@@H+](CCS(=O)(=O)N(C)C)C[C@@H](C(N)=O)O1 ZINC000351878902 409452481 /nfs/dbraw/zinc/45/24/81/409452481.db2.gz TUMHSQRHLQUCEB-BDAKNGLRSA-N 1 2 279.362 -1.548 20 0 CAADLO C[N@@H+]1CCO[C@@H](CNS(=O)(=O)C2COC2)C1 ZINC000329954159 409452581 /nfs/dbraw/zinc/45/25/81/409452581.db2.gz OFOSDNDIESSXIC-QMMMGPOBSA-N 1 2 250.320 -1.365 20 0 CAADLO C[N@H+]1CCO[C@@H](CNS(=O)(=O)C2COC2)C1 ZINC000329954159 409452589 /nfs/dbraw/zinc/45/25/89/409452589.db2.gz OFOSDNDIESSXIC-QMMMGPOBSA-N 1 2 250.320 -1.365 20 0 CAADLO C[C@@H]1C[N@H+](CCS(=O)(=O)N(C)C)C[C@H](C(N)=O)O1 ZINC000351878909 409453391 /nfs/dbraw/zinc/45/33/91/409453391.db2.gz TUMHSQRHLQUCEB-RKDXNWHRSA-N 1 2 279.362 -1.548 20 0 CAADLO C[C@@H]1C[N@@H+](CCS(=O)(=O)N(C)C)C[C@H](C(N)=O)O1 ZINC000351878909 409453394 /nfs/dbraw/zinc/45/33/94/409453394.db2.gz TUMHSQRHLQUCEB-RKDXNWHRSA-N 1 2 279.362 -1.548 20 0 CAADLO CN(C)C(=O)COC1C[NH+](CCC(=O)NC(N)=O)C1 ZINC000353002307 409455423 /nfs/dbraw/zinc/45/54/23/409455423.db2.gz PFQVBHFFAUZOAF-UHFFFAOYSA-N 1 2 272.305 -1.640 20 0 CAADLO CCNC(=O)C[NH+]1CCN(c2cncc(C(N)=O)n2)CC1 ZINC000301513446 409457516 /nfs/dbraw/zinc/45/75/16/409457516.db2.gz LEBQHYGMXFWKLG-UHFFFAOYSA-N 1 2 292.343 -1.166 20 0 CAADLO COCCCS(=O)(=O)NCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000355781325 409466498 /nfs/dbraw/zinc/46/64/98/409466498.db2.gz BNIWBZREVVKZHJ-JTQLQIEISA-N 1 2 293.389 -1.108 20 0 CAADLO COCCCS(=O)(=O)NCC[N@H+]1CCC[C@H]1C(N)=O ZINC000355781325 409466502 /nfs/dbraw/zinc/46/65/02/409466502.db2.gz BNIWBZREVVKZHJ-JTQLQIEISA-N 1 2 293.389 -1.108 20 0 CAADLO COCCCS(=O)(=O)NCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000355781327 409466569 /nfs/dbraw/zinc/46/65/69/409466569.db2.gz BNIWBZREVVKZHJ-SNVBAGLBSA-N 1 2 293.389 -1.108 20 0 CAADLO COCCCS(=O)(=O)NCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000355781327 409466572 /nfs/dbraw/zinc/46/65/72/409466572.db2.gz BNIWBZREVVKZHJ-SNVBAGLBSA-N 1 2 293.389 -1.108 20 0 CAADLO CNC(=O)CC(=O)N1CCC[N@H+](CC(=O)NC2CC2)CC1 ZINC001195626012 782011867 /nfs/dbraw/zinc/01/18/67/782011867.db2.gz VWBFFSJZXFSTOU-UHFFFAOYSA-N 1 2 296.371 -1.065 20 0 CAADLO CNC(=O)CC(=O)N1CCC[N@@H+](CC(=O)NC2CC2)CC1 ZINC001195626012 782011877 /nfs/dbraw/zinc/01/18/77/782011877.db2.gz VWBFFSJZXFSTOU-UHFFFAOYSA-N 1 2 296.371 -1.065 20 0 CAADLO C[C@H]1OCC[C@@]12C[N@H+](CC(=O)N1CCNC(=O)C1)CCO2 ZINC000373406833 409468261 /nfs/dbraw/zinc/46/82/61/409468261.db2.gz SIPLZSFMTAZBQI-BXUZGUMPSA-N 1 2 297.355 -1.175 20 0 CAADLO C[C@H]1OCC[C@@]12C[N@@H+](CC(=O)N1CCNC(=O)C1)CCO2 ZINC000373406833 409468269 /nfs/dbraw/zinc/46/82/69/409468269.db2.gz SIPLZSFMTAZBQI-BXUZGUMPSA-N 1 2 297.355 -1.175 20 0 CAADLO COC(=O)[C@H]1C[N@H+](CCCS(N)(=O)=O)CCO1 ZINC000355403102 409464381 /nfs/dbraw/zinc/46/43/81/409464381.db2.gz SRJMAWYAKKCRRF-MRVPVSSYSA-N 1 2 266.319 -1.461 20 0 CAADLO COC(=O)[C@H]1C[N@@H+](CCCS(N)(=O)=O)CCO1 ZINC000355403102 409464386 /nfs/dbraw/zinc/46/43/86/409464386.db2.gz SRJMAWYAKKCRRF-MRVPVSSYSA-N 1 2 266.319 -1.461 20 0 CAADLO Cn1cnn(CC(=O)NCCCn2cc[nH+]c2)c1=O ZINC000355705786 409464427 /nfs/dbraw/zinc/46/44/27/409464427.db2.gz VDMCPMVXKACLTP-UHFFFAOYSA-N 1 2 264.289 -1.015 20 0 CAADLO CCOCCNC(=O)C[NH+]1CCN(CC(=O)OC)CC1 ZINC000355308275 409464599 /nfs/dbraw/zinc/46/45/99/409464599.db2.gz HOQHMYKPZPMWHX-UHFFFAOYSA-N 1 2 287.360 -1.070 20 0 CAADLO CNC(=O)CN(C)c1cc(N(C)CC(=O)NC)[nH+]cn1 ZINC000355421413 409464807 /nfs/dbraw/zinc/46/48/07/409464807.db2.gz HZRUDCBDLXVSAY-UHFFFAOYSA-N 1 2 280.332 -1.159 20 0 CAADLO CC(=O)N1C[C@H](O)C[C@H]1C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000355664756 409465114 /nfs/dbraw/zinc/46/51/14/409465114.db2.gz VCKMJYMVEOKACT-UHTWSYAYSA-N 1 2 299.371 -1.195 20 0 CAADLO CC(=O)N1C[C@H](O)C[C@H]1C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000355664756 409465116 /nfs/dbraw/zinc/46/51/16/409465116.db2.gz VCKMJYMVEOKACT-UHTWSYAYSA-N 1 2 299.371 -1.195 20 0 CAADLO C[C@@H]1C(=O)NCC[N@H+]1C[C@@H](O)CN1CCNC(=O)[C@@H]1C ZINC000245915703 409476026 /nfs/dbraw/zinc/47/60/26/409476026.db2.gz GITXNJJOUCYYFR-JGPRNRPPSA-N 1 2 284.360 -2.012 20 0 CAADLO C[C@@H]1C(=O)NCC[N@@H+]1C[C@@H](O)CN1CCNC(=O)[C@@H]1C ZINC000245915703 409476029 /nfs/dbraw/zinc/47/60/29/409476029.db2.gz GITXNJJOUCYYFR-JGPRNRPPSA-N 1 2 284.360 -2.012 20 0 CAADLO C[C@@H]1C(=O)NCCN1C[C@@H](O)C[N@@H+]1CCNC(=O)[C@@H]1C ZINC000245915703 409476035 /nfs/dbraw/zinc/47/60/35/409476035.db2.gz GITXNJJOUCYYFR-JGPRNRPPSA-N 1 2 284.360 -2.012 20 0 CAADLO C[C@@H]1C(=O)NCCN1C[C@@H](O)C[N@H+]1CCNC(=O)[C@@H]1C ZINC000245915703 409476040 /nfs/dbraw/zinc/47/60/40/409476040.db2.gz GITXNJJOUCYYFR-JGPRNRPPSA-N 1 2 284.360 -2.012 20 0 CAADLO CN1C(=O)CC[C@H]1C(=O)N[C@H](CO)C[NH+]1CCOCC1 ZINC000646077330 409482764 /nfs/dbraw/zinc/48/27/64/409482764.db2.gz WLVINOLJNYUBIF-QWRGUYRKSA-N 1 2 285.344 -1.584 20 0 CAADLO O=C(CN1CC(=O)NC1=O)NC[C@@H]1CN2CC[N@@H+]1CCC2 ZINC000646121727 409482909 /nfs/dbraw/zinc/48/29/09/409482909.db2.gz TXJODZGXOUKQEA-SNVBAGLBSA-N 1 2 295.343 -1.956 20 0 CAADLO O=C(CN1CC(=O)NC1=O)NC[C@@H]1CN2CC[N@H+]1CCC2 ZINC000646121727 409482913 /nfs/dbraw/zinc/48/29/13/409482913.db2.gz TXJODZGXOUKQEA-SNVBAGLBSA-N 1 2 295.343 -1.956 20 0 CAADLO NC(=O)[C@@H](O)CNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000646025137 409483301 /nfs/dbraw/zinc/48/33/01/409483301.db2.gz JRPZIQBAOOMOKK-QWRGUYRKSA-N 1 2 285.344 -1.408 20 0 CAADLO NC(=O)[C@@H](O)CNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000646025137 409483304 /nfs/dbraw/zinc/48/33/04/409483304.db2.gz JRPZIQBAOOMOKK-QWRGUYRKSA-N 1 2 285.344 -1.408 20 0 CAADLO COC[C@H](CCNC(=O)CN1CC[NH2+]CC1=O)OC ZINC000659334459 409483704 /nfs/dbraw/zinc/48/37/04/409483704.db2.gz BXBANZWOXUNBEF-JTQLQIEISA-N 1 2 273.333 -1.414 20 0 CAADLO Cc1nc(N2CC[C@](O)(C(N)=O)C2)nc(N(C)C)[nH+]1 ZINC000471814498 409483763 /nfs/dbraw/zinc/48/37/63/409483763.db2.gz CXNGOBLDJLUXMX-LLVKDONJSA-N 1 2 266.305 -1.327 20 0 CAADLO Cc1nc(N(C)C)nc(N2CC[C@](O)(C(N)=O)C2)[nH+]1 ZINC000471814498 409483768 /nfs/dbraw/zinc/48/37/68/409483768.db2.gz CXNGOBLDJLUXMX-LLVKDONJSA-N 1 2 266.305 -1.327 20 0 CAADLO CO[C@@H](CNC(=O)CN1CC[NH2+]CC1=O)[C@@H]1CCOC1 ZINC000659333040 409484253 /nfs/dbraw/zinc/48/42/53/409484253.db2.gz PKFXJWYVKGPIBQ-MNOVXSKESA-N 1 2 285.344 -1.414 20 0 CAADLO CNC(=O)CC(=O)NC[C@@H]1CN2CC[N@@H+]1CCC2 ZINC000646121719 409484386 /nfs/dbraw/zinc/48/43/86/409484386.db2.gz SSVXXTSQUXGRFU-SNVBAGLBSA-N 1 2 254.334 -1.371 20 0 CAADLO CNC(=O)CC(=O)NC[C@@H]1CN2CC[N@H+]1CCC2 ZINC000646121719 409484392 /nfs/dbraw/zinc/48/43/92/409484392.db2.gz SSVXXTSQUXGRFU-SNVBAGLBSA-N 1 2 254.334 -1.371 20 0 CAADLO CNC(=O)CC[N@H+](C)[C@@H]1CS(=O)(=O)C[C@@H]1OC ZINC000659873984 409484559 /nfs/dbraw/zinc/48/45/59/409484559.db2.gz UHQSIJCXUZXQGO-BDAKNGLRSA-N 1 2 264.347 -1.134 20 0 CAADLO CNC(=O)CC[N@@H+](C)[C@@H]1CS(=O)(=O)C[C@@H]1OC ZINC000659873984 409484563 /nfs/dbraw/zinc/48/45/63/409484563.db2.gz UHQSIJCXUZXQGO-BDAKNGLRSA-N 1 2 264.347 -1.134 20 0 CAADLO C[NH+](C)C[C@@H](CO)NC(=O)C1(S(C)(=O)=O)CC1 ZINC000646208842 409485697 /nfs/dbraw/zinc/48/56/97/409485697.db2.gz KTLZHRHJLDGZPX-QMMMGPOBSA-N 1 2 264.347 -1.398 20 0 CAADLO O=C(CN1CC[NH2+]CC1=O)NCC(=O)N1CCOCC1 ZINC000646293977 409487762 /nfs/dbraw/zinc/48/77/62/409487762.db2.gz BSECLGAPZPZGDT-UHFFFAOYSA-N 1 2 284.316 -2.607 20 0 CAADLO Cn1cnnc1N1CC[NH+](CC(=O)N2CCNC2=O)CC1 ZINC000653818943 409494939 /nfs/dbraw/zinc/49/49/39/409494939.db2.gz YYLXKDRZLLGQRN-UHFFFAOYSA-N 1 2 293.331 -1.511 20 0 CAADLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC000646803121 409495761 /nfs/dbraw/zinc/49/57/61/409495761.db2.gz KPVSPIDNVARHIH-ZJUUUORDSA-N 1 2 297.359 -1.663 20 0 CAADLO CCS(=O)(=O)N[C@H](C)C(=O)NCC[NH+]1CCOCC1 ZINC000646584027 409489375 /nfs/dbraw/zinc/48/93/75/409489375.db2.gz QVXPMYPHLPJWQV-SNVBAGLBSA-N 1 2 293.389 -1.237 20 0 CAADLO O=C(NCC[NH+]1CCOCC1)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1 ZINC000646583486 409489857 /nfs/dbraw/zinc/48/98/57/409489857.db2.gz RXXPLRHSGJTXPZ-IJLUTSLNSA-N 1 2 286.328 -2.152 20 0 CAADLO CCN1CC[C@@H]([N@@H+]2CCN3C(=O)C(=O)NC[C@H]3C2)C1=O ZINC000660009075 409489908 /nfs/dbraw/zinc/48/99/08/409489908.db2.gz LQNRIYBIGFXKFH-VHSXEESVSA-N 1 2 280.328 -1.750 20 0 CAADLO CCN1CC[C@@H]([N@H+]2CCN3C(=O)C(=O)NC[C@H]3C2)C1=O ZINC000660009075 409489915 /nfs/dbraw/zinc/48/99/15/409489915.db2.gz LQNRIYBIGFXKFH-VHSXEESVSA-N 1 2 280.328 -1.750 20 0 CAADLO CCN1CC[C@H]([N@@H+]2CCN3C(=O)C(=O)NC[C@H]3C2)C1=O ZINC000660009074 409490405 /nfs/dbraw/zinc/49/04/05/409490405.db2.gz LQNRIYBIGFXKFH-UWVGGRQHSA-N 1 2 280.328 -1.750 20 0 CAADLO CCN1CC[C@H]([N@H+]2CCN3C(=O)C(=O)NC[C@H]3C2)C1=O ZINC000660009074 409490407 /nfs/dbraw/zinc/49/04/07/409490407.db2.gz LQNRIYBIGFXKFH-UWVGGRQHSA-N 1 2 280.328 -1.750 20 0 CAADLO CN1NN=C2C1=NCC[C@@H]2C(=O)NCC[NH+]1CCOCC1 ZINC000646583523 409490906 /nfs/dbraw/zinc/49/09/06/409490906.db2.gz VECCAKXYVMLALQ-JTQLQIEISA-N 1 2 294.359 -1.341 20 0 CAADLO C[C@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC000646679058 409492985 /nfs/dbraw/zinc/49/29/85/409492985.db2.gz RWUQPDWTQVKPFX-BDAKNGLRSA-N 1 2 284.316 -1.579 20 0 CAADLO NS(=O)(=O)N1CCC[C@@H](C(=O)NCc2[nH]cc[nH+]2)C1 ZINC000646809366 409494219 /nfs/dbraw/zinc/49/42/19/409494219.db2.gz HSPNQPOYRSSMBJ-MRVPVSSYSA-N 1 2 287.345 -1.059 20 0 CAADLO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC000646803120 409494596 /nfs/dbraw/zinc/49/45/96/409494596.db2.gz KPVSPIDNVARHIH-UWVGGRQHSA-N 1 2 297.359 -1.663 20 0 CAADLO C[C@]12COC[C@@H]1CN(C(=O)CN1CC[NH2+]CC1=O)C2 ZINC000659368025 409555334 /nfs/dbraw/zinc/55/53/34/409555334.db2.gz KHYBNEMZKBQHFK-GWCFXTLKSA-N 1 2 267.329 -1.087 20 0 CAADLO COC1(C(=O)NCC(=O)NCC[NH+]2CCOCC2)CC1 ZINC000648779512 409500027 /nfs/dbraw/zinc/50/00/27/409500027.db2.gz SQEGGAINNJHHCX-UHFFFAOYSA-N 1 2 285.344 -1.270 20 0 CAADLO CNC(=O)CC[NH+]1CCN(S(=O)(=O)N(C)C)CC1 ZINC000026169683 409501725 /nfs/dbraw/zinc/50/17/25/409501725.db2.gz NFDPJEHCBDZAAD-UHFFFAOYSA-N 1 2 278.378 -1.454 20 0 CAADLO CNS(=O)(=O)[C@@H]1CC[N@H+](CCc2c[nH]nn2)C1 ZINC000660116872 409501799 /nfs/dbraw/zinc/50/17/99/409501799.db2.gz DSALNBRKQAIKRG-SECBINFHSA-N 1 2 259.335 -1.029 20 0 CAADLO CNS(=O)(=O)[C@@H]1CC[N@@H+](CCc2c[nH]nn2)C1 ZINC000660116872 409501803 /nfs/dbraw/zinc/50/18/03/409501803.db2.gz DSALNBRKQAIKRG-SECBINFHSA-N 1 2 259.335 -1.029 20 0 CAADLO CCN1CC[C@H]([N@@H+]2CCN3C(=O)NC(=O)[C@@H]3C2)C1=O ZINC000660146561 409503581 /nfs/dbraw/zinc/50/35/81/409503581.db2.gz HJCQZYYXNFJGDV-IUCAKERBSA-N 1 2 266.301 -1.157 20 0 CAADLO CCN1CC[C@H]([N@H+]2CCN3C(=O)NC(=O)[C@@H]3C2)C1=O ZINC000660146561 409503582 /nfs/dbraw/zinc/50/35/82/409503582.db2.gz HJCQZYYXNFJGDV-IUCAKERBSA-N 1 2 266.301 -1.157 20 0 CAADLO C[C@H]1C[C@@H](C(=O)NCCC[N@@H+]2CCNC(=O)C2)CC(=O)N1 ZINC000543690779 409505063 /nfs/dbraw/zinc/50/50/63/409505063.db2.gz FYZWAJASOAFPPI-WDEREUQCSA-N 1 2 296.371 -1.161 20 0 CAADLO C[C@H]1C[C@@H](C(=O)NCCC[N@H+]2CCNC(=O)C2)CC(=O)N1 ZINC000543690779 409505070 /nfs/dbraw/zinc/50/50/70/409505070.db2.gz FYZWAJASOAFPPI-WDEREUQCSA-N 1 2 296.371 -1.161 20 0 CAADLO NC(=O)c1cccc(C(=O)N2CC[NH+](CCO)CC2)n1 ZINC000543798798 409505334 /nfs/dbraw/zinc/50/53/34/409505334.db2.gz HUEOGFQVQHSGRN-UHFFFAOYSA-N 1 2 278.312 -1.069 20 0 CAADLO COC1(C(=O)N[C@H](CO)C[NH+]2CCOCC2)CC1 ZINC000649219139 409505532 /nfs/dbraw/zinc/50/55/32/409505532.db2.gz PTQBTDCBQMPCKL-JTQLQIEISA-N 1 2 258.318 -1.025 20 0 CAADLO C[C@@H]1C[C@@H](C(=O)NCCC[N@@H+]2CCNC(=O)C2)CC(=O)N1 ZINC000543690774 409506105 /nfs/dbraw/zinc/50/61/05/409506105.db2.gz FYZWAJASOAFPPI-GHMZBOCLSA-N 1 2 296.371 -1.161 20 0 CAADLO C[C@@H]1C[C@@H](C(=O)NCCC[N@H+]2CCNC(=O)C2)CC(=O)N1 ZINC000543690774 409506109 /nfs/dbraw/zinc/50/61/09/409506109.db2.gz FYZWAJASOAFPPI-GHMZBOCLSA-N 1 2 296.371 -1.161 20 0 CAADLO C[C@@H]1C[N@H+](CCNC(=O)c2nc3n(n2)CCCN3)CCO1 ZINC000649312549 409508150 /nfs/dbraw/zinc/50/81/50/409508150.db2.gz YOQJMWKKJYXMHE-SNVBAGLBSA-N 1 2 294.359 -1.198 20 0 CAADLO C[C@@H]1C[N@@H+](CCNC(=O)c2nc3n(n2)CCCN3)CCO1 ZINC000649312549 409508153 /nfs/dbraw/zinc/50/81/53/409508153.db2.gz YOQJMWKKJYXMHE-SNVBAGLBSA-N 1 2 294.359 -1.198 20 0 CAADLO Nc1noc(CCNC(=O)NCC[NH+]2CCOCC2)n1 ZINC000568934006 409509594 /nfs/dbraw/zinc/50/95/94/409509594.db2.gz UAOPMSAYHBVJAT-UHFFFAOYSA-N 1 2 284.320 -1.174 20 0 CAADLO CN(C)C(=O)CCCNC(=O)CN1CC[NH2+]CC1=O ZINC000573485110 409510217 /nfs/dbraw/zinc/51/02/17/409510217.db2.gz ZNYGJMBIEANLMC-UHFFFAOYSA-N 1 2 270.333 -1.597 20 0 CAADLO C[C@H](CC(=O)N1CC[NH+](CC(=O)N(C)C)CC1)NC(N)=O ZINC000654396833 409511703 /nfs/dbraw/zinc/51/17/03/409511703.db2.gz DWAFUNQWVSYZEI-SNVBAGLBSA-N 1 2 299.375 -1.334 20 0 CAADLO Cc1nn(CC(=O)N(C)CC[NH+]2CCOCC2)c(=O)n1C ZINC000654698425 409512435 /nfs/dbraw/zinc/51/24/35/409512435.db2.gz GMDCCBJKUOSNAV-UHFFFAOYSA-N 1 2 297.359 -1.319 20 0 CAADLO CN1CCN(S(=O)(=O)NCC(F)(F)F)[C@H](C[NH3+])C1 ZINC000127595203 409516374 /nfs/dbraw/zinc/51/63/74/409516374.db2.gz HEUXVJRQIXHQQE-SSDOTTSWSA-N 1 2 290.311 -1.042 20 0 CAADLO CO[C@@H]1CS(=O)(=O)[C@H]2C[N@@H+]([C@H]3CC(=O)NC3=O)C[C@H]21 ZINC000656476745 409528527 /nfs/dbraw/zinc/52/85/27/409528527.db2.gz CEESZKOPVWBMIH-MAUMQABQSA-N 1 2 288.325 -1.855 20 0 CAADLO CO[C@@H]1CS(=O)(=O)[C@H]2C[N@H+]([C@H]3CC(=O)NC3=O)C[C@H]21 ZINC000656476745 409528533 /nfs/dbraw/zinc/52/85/33/409528533.db2.gz CEESZKOPVWBMIH-MAUMQABQSA-N 1 2 288.325 -1.855 20 0 CAADLO COC1(CO)CCN(C(=O)C(=O)N2CC[NH+](C)CC2)CC1 ZINC000656087972 409531848 /nfs/dbraw/zinc/53/18/48/409531848.db2.gz JQLHXMOZHQHKAP-UHFFFAOYSA-N 1 2 299.371 -1.240 20 0 CAADLO C[C@H]1C[N@H+](CCO)CCN1S(=O)(=O)c1cnnn1C ZINC000657008735 409535161 /nfs/dbraw/zinc/53/51/61/409535161.db2.gz BRZDKBFKQYSFIN-VIFPVBQESA-N 1 2 289.361 -1.498 20 0 CAADLO C[C@H]1C[N@@H+](CCO)CCN1S(=O)(=O)c1cnnn1C ZINC000657008735 409535171 /nfs/dbraw/zinc/53/51/71/409535171.db2.gz BRZDKBFKQYSFIN-VIFPVBQESA-N 1 2 289.361 -1.498 20 0 CAADLO Cc1cn(C)nc1NC(=O)C(=O)N1CC[NH+](CCO)CC1 ZINC000657769730 409538930 /nfs/dbraw/zinc/53/89/30/409538930.db2.gz HSOVRRPMCHQLEC-UHFFFAOYSA-N 1 2 295.343 -1.196 20 0 CAADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)CN1CC(=O)N(C)C1=O ZINC000624139328 409547084 /nfs/dbraw/zinc/54/70/84/409547084.db2.gz JNZCQQFILNECLJ-JTQLQIEISA-N 1 2 298.343 -1.283 20 0 CAADLO C[C@@H](O)CN(C)C(=O)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000658515185 409549678 /nfs/dbraw/zinc/54/96/78/409549678.db2.gz RVQUQVVTAXXUSO-VXGBXAGGSA-N 1 2 299.371 -1.241 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CCCN(C(=O)[C@H](C)NC(N)=O)CC1 ZINC001195625679 782012393 /nfs/dbraw/zinc/01/23/93/782012393.db2.gz PYKPCRFUCSUCCA-DTWKUNHWSA-N 1 2 285.348 -1.549 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CCCN(C(=O)[C@H](C)NC(N)=O)CC1 ZINC001195625679 782012398 /nfs/dbraw/zinc/01/23/98/782012398.db2.gz PYKPCRFUCSUCCA-DTWKUNHWSA-N 1 2 285.348 -1.549 20 0 CAADLO CN(C[C@@H]1COCCO1)C(=O)C(=O)N1CC[NH+](C)CC1 ZINC000658852050 409551184 /nfs/dbraw/zinc/55/11/84/409551184.db2.gz JWKGPUNMDIFSCB-LLVKDONJSA-N 1 2 285.344 -1.366 20 0 CAADLO O=C(CN1CC[NH2+]CC1=O)N1CC[C@@H]2NC(=O)CC[C@@H]2C1 ZINC000659358500 409553265 /nfs/dbraw/zinc/55/32/65/409553265.db2.gz RBEVDRWPXLWNFX-MNOVXSKESA-N 1 2 294.355 -1.455 20 0 CAADLO O=C(CN1CC[NH2+]CC1=O)N1CC[C@H]2NC(=O)CC[C@@H]2C1 ZINC000659358499 409553431 /nfs/dbraw/zinc/55/34/31/409553431.db2.gz RBEVDRWPXLWNFX-GHMZBOCLSA-N 1 2 294.355 -1.455 20 0 CAADLO COC[C@@H](NC(=O)CN1CC[NH2+]CC1=O)C1CCOCC1 ZINC000659334167 409553931 /nfs/dbraw/zinc/55/39/31/409553931.db2.gz BHFWIQSFUWXIQO-GFCCVEGCSA-N 1 2 299.371 -1.024 20 0 CAADLO Cn1ccnc(N[C@H](CO)C[NH+]2CCOCC2)c1=O ZINC000631306365 409641204 /nfs/dbraw/zinc/64/12/04/409641204.db2.gz FINNZWGMZZYBSQ-JTQLQIEISA-N 1 2 268.317 -1.115 20 0 CAADLO Cc1c(N(C)CC(N)=O)nc[nH+]c1N(C)CC(N)=O ZINC000663389709 409621197 /nfs/dbraw/zinc/62/11/97/409621197.db2.gz VLDCKMCMMLCILK-UHFFFAOYSA-N 1 2 266.305 -1.372 20 0 CAADLO Cn1nnc2c1ncnc2NCCC[N@@H+]1CCNC(=O)C1 ZINC000663743913 409625913 /nfs/dbraw/zinc/62/59/13/409625913.db2.gz WTGHUYBZAWLUDE-UHFFFAOYSA-N 1 2 290.331 -1.008 20 0 CAADLO Cn1nnc2c1ncnc2NCCC[N@H+]1CCNC(=O)C1 ZINC000663743913 409625924 /nfs/dbraw/zinc/62/59/24/409625924.db2.gz WTGHUYBZAWLUDE-UHFFFAOYSA-N 1 2 290.331 -1.008 20 0 CAADLO Cn1c(=O)cc(NCCC[N@@H+]2CCNC(=O)C2)n(C)c1=O ZINC000663743061 409626444 /nfs/dbraw/zinc/62/64/44/409626444.db2.gz LZIQRBONQPXAKC-UHFFFAOYSA-N 1 2 295.343 -1.682 20 0 CAADLO Cn1c(=O)cc(NCCC[N@H+]2CCNC(=O)C2)n(C)c1=O ZINC000663743061 409626450 /nfs/dbraw/zinc/62/64/50/409626450.db2.gz LZIQRBONQPXAKC-UHFFFAOYSA-N 1 2 295.343 -1.682 20 0 CAADLO Cn1ncnc1C(=O)NCCC[N@@H+]1CCNC(=O)C1 ZINC000664260516 409628013 /nfs/dbraw/zinc/62/80/13/409628013.db2.gz BXENEVYFGFMFBG-UHFFFAOYSA-N 1 2 266.305 -1.633 20 0 CAADLO Cn1ncnc1C(=O)NCCC[N@H+]1CCNC(=O)C1 ZINC000664260516 409628014 /nfs/dbraw/zinc/62/80/14/409628014.db2.gz BXENEVYFGFMFBG-UHFFFAOYSA-N 1 2 266.305 -1.633 20 0 CAADLO C[C@@H]1C[N@@H+](C[C@@H](O)CN2CC(=O)N[C@@H](C)C2)CC(=O)N1 ZINC000664777611 409632136 /nfs/dbraw/zinc/63/21/36/409632136.db2.gz GFOLWINGPHAPTK-JGPRNRPPSA-N 1 2 284.360 -2.012 20 0 CAADLO C[C@@H]1C[N@H+](C[C@@H](O)CN2CC(=O)N[C@@H](C)C2)CC(=O)N1 ZINC000664777611 409632144 /nfs/dbraw/zinc/63/21/44/409632144.db2.gz GFOLWINGPHAPTK-JGPRNRPPSA-N 1 2 284.360 -2.012 20 0 CAADLO C[C@@H]1CN(C[C@@H](O)C[N@H+]2CC(=O)N[C@@H](C)C2)CC(=O)N1 ZINC000664777611 409632154 /nfs/dbraw/zinc/63/21/54/409632154.db2.gz GFOLWINGPHAPTK-JGPRNRPPSA-N 1 2 284.360 -2.012 20 0 CAADLO C[C@@H]1CN(C[C@@H](O)C[N@@H+]2CC(=O)N[C@@H](C)C2)CC(=O)N1 ZINC000664777611 409632160 /nfs/dbraw/zinc/63/21/60/409632160.db2.gz GFOLWINGPHAPTK-JGPRNRPPSA-N 1 2 284.360 -2.012 20 0 CAADLO C[C@@H]1CN(CC(O)C[N@H+]2CC(=O)N[C@H](C)C2)CC(=O)N1 ZINC000664777612 409633115 /nfs/dbraw/zinc/63/31/15/409633115.db2.gz GFOLWINGPHAPTK-NXEZZACHSA-N 1 2 284.360 -2.012 20 0 CAADLO C[C@@H]1CN(CC(O)C[N@@H+]2CC(=O)N[C@H](C)C2)CC(=O)N1 ZINC000664777612 409633121 /nfs/dbraw/zinc/63/31/21/409633121.db2.gz GFOLWINGPHAPTK-NXEZZACHSA-N 1 2 284.360 -2.012 20 0 CAADLO O=C(NCC[NH+]1CCOCC1)C1(n2cnnn2)CC1 ZINC000665132751 409635222 /nfs/dbraw/zinc/63/52/22/409635222.db2.gz ZQLXYIBNKCZDHH-UHFFFAOYSA-N 1 2 266.305 -1.389 20 0 CAADLO CC(C)(C)n1nnc(CC[N@@H+]2C[C@H](O)C[C@H]2C(N)=O)n1 ZINC000665048678 409635416 /nfs/dbraw/zinc/63/54/16/409635416.db2.gz MWMWVROELGPOLU-BDAKNGLRSA-N 1 2 282.348 -1.109 20 0 CAADLO CC(C)(C)n1nnc(CC[N@H+]2C[C@H](O)C[C@H]2C(N)=O)n1 ZINC000665048678 409635420 /nfs/dbraw/zinc/63/54/20/409635420.db2.gz MWMWVROELGPOLU-BDAKNGLRSA-N 1 2 282.348 -1.109 20 0 CAADLO CN1C[C@@H](C(=O)NCC[NH+]2CCOCC2)NC1=O ZINC000665130988 409635600 /nfs/dbraw/zinc/63/56/00/409635600.db2.gz GYTVGLCYYHELLR-VIFPVBQESA-N 1 2 256.306 -1.542 20 0 CAADLO CC(C)NC(=O)NCC[N@@H+]1C[C@H](O)C[C@H]1C(N)=O ZINC000665047796 409635663 /nfs/dbraw/zinc/63/56/63/409635663.db2.gz GAOFWWMQQUAUEC-BDAKNGLRSA-N 1 2 258.322 -1.386 20 0 CAADLO CC(C)NC(=O)NCC[N@H+]1C[C@H](O)C[C@H]1C(N)=O ZINC000665047796 409635667 /nfs/dbraw/zinc/63/56/67/409635667.db2.gz GAOFWWMQQUAUEC-BDAKNGLRSA-N 1 2 258.322 -1.386 20 0 CAADLO CN(C)C(=O)Cn1ccc(NC(=O)[C@H]2CSC[NH2+]2)n1 ZINC000360205187 409639585 /nfs/dbraw/zinc/63/95/85/409639585.db2.gz RWWCJHWAZPSUSX-MRVPVSSYSA-N 1 2 283.357 -0.428 20 0 CAADLO C[C@@H]1CO[C@@H](CO)C[N@@H+]1CCN1C(=O)CN(C)C1=O ZINC000660009417 409572591 /nfs/dbraw/zinc/57/25/91/409572591.db2.gz RWCXEYBZLZNOTD-NXEZZACHSA-N 1 2 271.317 -1.038 20 0 CAADLO C[C@@H]1CO[C@@H](CO)C[N@H+]1CCN1C(=O)CN(C)C1=O ZINC000660009417 409572598 /nfs/dbraw/zinc/57/25/98/409572598.db2.gz RWCXEYBZLZNOTD-NXEZZACHSA-N 1 2 271.317 -1.038 20 0 CAADLO O=C(C[N@H+]1C[C@H](O)C[C@H](O)C1)Nc1cnccn1 ZINC000659976553 409572651 /nfs/dbraw/zinc/57/26/51/409572651.db2.gz CFHZKZHFFIMMOQ-DTORHVGOSA-N 1 2 252.274 -1.157 20 0 CAADLO O=C(C[N@@H+]1C[C@H](O)C[C@H](O)C1)Nc1cnccn1 ZINC000659976553 409572658 /nfs/dbraw/zinc/57/26/58/409572658.db2.gz CFHZKZHFFIMMOQ-DTORHVGOSA-N 1 2 252.274 -1.157 20 0 CAADLO CCN1OC[C@H]([N@@H+]2CCC[C@]3(C2)NC(=O)NC3=O)C1=O ZINC000660441196 409575454 /nfs/dbraw/zinc/57/54/54/409575454.db2.gz SMKJXDQYEAIHRF-QPUJVOFHSA-N 1 2 282.300 -1.177 20 0 CAADLO CCN1OC[C@H]([N@H+]2CCC[C@]3(C2)NC(=O)NC3=O)C1=O ZINC000660441196 409575457 /nfs/dbraw/zinc/57/54/57/409575457.db2.gz SMKJXDQYEAIHRF-QPUJVOFHSA-N 1 2 282.300 -1.177 20 0 CAADLO C[C@@H](O)C(=O)N1CC[NH+](CCN2C(=O)CN(C)C2=O)CC1 ZINC000660158411 409577064 /nfs/dbraw/zinc/57/70/64/409577064.db2.gz YATNHVAURXUACB-SNVBAGLBSA-N 1 2 298.343 -1.595 20 0 CAADLO CCN1OC[C@@H]([N@@H+]2CCC[C@@]3(C2)NC(=O)NC3=O)C1=O ZINC000660441194 409577998 /nfs/dbraw/zinc/57/79/98/409577998.db2.gz SMKJXDQYEAIHRF-PELKAZGASA-N 1 2 282.300 -1.177 20 0 CAADLO CCN1OC[C@@H]([N@H+]2CCC[C@@]3(C2)NC(=O)NC3=O)C1=O ZINC000660441194 409578009 /nfs/dbraw/zinc/57/80/09/409578009.db2.gz SMKJXDQYEAIHRF-PELKAZGASA-N 1 2 282.300 -1.177 20 0 CAADLO C[C@H]1C[N@H+](CCN2C(=O)CN(C)C2=O)C[C@H](CO)O1 ZINC000660387634 409578038 /nfs/dbraw/zinc/57/80/38/409578038.db2.gz CPBWYYOCENCWHN-VHSXEESVSA-N 1 2 271.317 -1.038 20 0 CAADLO C[C@H]1C[N@@H+](CCN2C(=O)CN(C)C2=O)C[C@H](CO)O1 ZINC000660387634 409578047 /nfs/dbraw/zinc/57/80/47/409578047.db2.gz CPBWYYOCENCWHN-VHSXEESVSA-N 1 2 271.317 -1.038 20 0 CAADLO C[C@@H]1C[N@H+](CCN2C(=O)CN(C)C2=O)C[C@@H](CO)O1 ZINC000660387635 409578886 /nfs/dbraw/zinc/57/88/86/409578886.db2.gz CPBWYYOCENCWHN-ZJUUUORDSA-N 1 2 271.317 -1.038 20 0 CAADLO C[C@@H]1C[N@@H+](CCN2C(=O)CN(C)C2=O)C[C@@H](CO)O1 ZINC000660387635 409578896 /nfs/dbraw/zinc/57/88/96/409578896.db2.gz CPBWYYOCENCWHN-ZJUUUORDSA-N 1 2 271.317 -1.038 20 0 CAADLO CCN1CC[C@H]([NH+]2CCN(C(=O)CO)CC2)C1=O ZINC000660129032 409579148 /nfs/dbraw/zinc/57/91/48/409579148.db2.gz BTZHIOOUJJCRNN-JTQLQIEISA-N 1 2 255.318 -1.256 20 0 CAADLO NC(=O)CN1CC[N@@H+]([C@@H]2CCCC[C@H]2O)CC1=O ZINC000660775489 409580505 /nfs/dbraw/zinc/58/05/05/409580505.db2.gz MZZRULCFVBNNEX-NXEZZACHSA-N 1 2 255.318 -1.081 20 0 CAADLO NC(=O)CN1CC[N@H+]([C@@H]2CCCC[C@H]2O)CC1=O ZINC000660775489 409580514 /nfs/dbraw/zinc/58/05/14/409580514.db2.gz MZZRULCFVBNNEX-NXEZZACHSA-N 1 2 255.318 -1.081 20 0 CAADLO CN(C[C@@H](O)C1CC1)C(=O)C(=O)N1CC[NH+](C)CC1 ZINC000660803051 409581260 /nfs/dbraw/zinc/58/12/60/409581260.db2.gz BWOWIXNUUVLOTP-LLVKDONJSA-N 1 2 269.345 -1.010 20 0 CAADLO CN(Cc1n[nH]c(=O)o1)C[C@H](O)C[NH+]1CCOCC1 ZINC000660850295 409581640 /nfs/dbraw/zinc/58/16/40/409581640.db2.gz RAXMPFSKTMXMNZ-VIFPVBQESA-N 1 2 272.305 -1.100 20 0 CAADLO NC(=O)CN1CC[N@H+](CC(N)=O)Cc2cc(O)ccc21 ZINC000661023524 409582045 /nfs/dbraw/zinc/58/20/45/409582045.db2.gz INAWVGYZYKGCED-UHFFFAOYSA-N 1 2 278.312 -1.015 20 0 CAADLO NC(=O)CN1CC[N@@H+](CC(N)=O)Cc2cc(O)ccc21 ZINC000661023524 409582049 /nfs/dbraw/zinc/58/20/49/409582049.db2.gz INAWVGYZYKGCED-UHFFFAOYSA-N 1 2 278.312 -1.015 20 0 CAADLO COC[C@@H](C[N@@H+]1CCN(CC(N)=O)C(=O)C1)OC ZINC000660776877 409582816 /nfs/dbraw/zinc/58/28/16/409582816.db2.gz LEOMQASCMQPULQ-SECBINFHSA-N 1 2 259.306 -1.723 20 0 CAADLO COC[C@@H](C[N@H+]1CCN(CC(N)=O)C(=O)C1)OC ZINC000660776877 409582822 /nfs/dbraw/zinc/58/28/22/409582822.db2.gz LEOMQASCMQPULQ-SECBINFHSA-N 1 2 259.306 -1.723 20 0 CAADLO CN(CC(=O)N1CCNC(=O)C1)Cc1c[nH+]c[nH]1 ZINC000661084943 409583316 /nfs/dbraw/zinc/58/33/16/409583316.db2.gz VCSSUCYVPNCRTK-UHFFFAOYSA-N 1 2 251.290 -1.200 20 0 CAADLO CN(CC(=O)N1CCNC(=O)C1)Cc1c[nH]c[nH+]1 ZINC000661084943 409583321 /nfs/dbraw/zinc/58/33/21/409583321.db2.gz VCSSUCYVPNCRTK-UHFFFAOYSA-N 1 2 251.290 -1.200 20 0 CAADLO CN1CC[N@H+](CC(=O)NCC(=O)N2CCCC2)CCC1=O ZINC000661811799 409584643 /nfs/dbraw/zinc/58/46/43/409584643.db2.gz ZFMLZWOBBQEOHQ-UHFFFAOYSA-N 1 2 296.371 -1.111 20 0 CAADLO CN1CC[N@@H+](CC(=O)NCC(=O)N2CCCC2)CCC1=O ZINC000661811799 409584651 /nfs/dbraw/zinc/58/46/51/409584651.db2.gz ZFMLZWOBBQEOHQ-UHFFFAOYSA-N 1 2 296.371 -1.111 20 0 CAADLO CC[C@@H](C(N)=O)[N@@H+]1C[C@@H]2[C@@H](OC)CS(=O)(=O)[C@@H]2C1 ZINC000661882730 409585643 /nfs/dbraw/zinc/58/56/43/409585643.db2.gz YYQWFZALOKOUSS-XFWSIPNHSA-N 1 2 276.358 -1.006 20 0 CAADLO CC[C@@H](C(N)=O)[N@H+]1C[C@@H]2[C@@H](OC)CS(=O)(=O)[C@@H]2C1 ZINC000661882730 409585653 /nfs/dbraw/zinc/58/56/53/409585653.db2.gz YYQWFZALOKOUSS-XFWSIPNHSA-N 1 2 276.358 -1.006 20 0 CAADLO CN1CC[N@H+](CC(=O)N2CCNC2=O)CCC1=O ZINC000661815256 409585769 /nfs/dbraw/zinc/58/57/69/409585769.db2.gz WAAGOZRXCBJQRR-UHFFFAOYSA-N 1 2 254.290 -1.298 20 0 CAADLO CN1CC[N@@H+](CC(=O)N2CCNC2=O)CCC1=O ZINC000661815256 409585783 /nfs/dbraw/zinc/58/57/83/409585783.db2.gz WAAGOZRXCBJQRR-UHFFFAOYSA-N 1 2 254.290 -1.298 20 0 CAADLO CO[C@@H]1CS(=O)(=O)[C@H]2C[N@H+](CC(=O)N(C)C)C[C@H]21 ZINC000661879410 409585945 /nfs/dbraw/zinc/58/59/45/409585945.db2.gz AOSWGHVSHQGLMW-AEJSXWLSSA-N 1 2 276.358 -1.182 20 0 CAADLO CO[C@@H]1CS(=O)(=O)[C@H]2C[N@@H+](CC(=O)N(C)C)C[C@H]21 ZINC000661879410 409585955 /nfs/dbraw/zinc/58/59/55/409585955.db2.gz AOSWGHVSHQGLMW-AEJSXWLSSA-N 1 2 276.358 -1.182 20 0 CAADLO CC[C@H](C(N)=O)[N@@H+]1C[C@@H]2[C@@H](OC)CS(=O)(=O)[C@@H]2C1 ZINC000661882729 409587065 /nfs/dbraw/zinc/58/70/65/409587065.db2.gz YYQWFZALOKOUSS-DOLQZWNJSA-N 1 2 276.358 -1.006 20 0 CAADLO CC[C@H](C(N)=O)[N@H+]1C[C@@H]2[C@@H](OC)CS(=O)(=O)[C@@H]2C1 ZINC000661882729 409587070 /nfs/dbraw/zinc/58/70/70/409587070.db2.gz YYQWFZALOKOUSS-DOLQZWNJSA-N 1 2 276.358 -1.006 20 0 CAADLO CO[C@@H]1CS(=O)(=O)[C@H]2C[N@H+](CC(=O)N3CCC3)C[C@H]21 ZINC000661882211 409588132 /nfs/dbraw/zinc/58/81/32/409588132.db2.gz MMQSCPPXRIXKNO-AXFHLTTASA-N 1 2 288.369 -1.038 20 0 CAADLO CO[C@@H]1CS(=O)(=O)[C@H]2C[N@@H+](CC(=O)N3CCC3)C[C@H]21 ZINC000661882211 409588140 /nfs/dbraw/zinc/58/81/40/409588140.db2.gz MMQSCPPXRIXKNO-AXFHLTTASA-N 1 2 288.369 -1.038 20 0 CAADLO CC(=O)N1CC[NH+](CCNc2nccn(C)c2=O)CC1 ZINC000329744238 409640469 /nfs/dbraw/zinc/64/04/69/409640469.db2.gz QOHMHWKBFNNRQK-UHFFFAOYSA-N 1 2 279.344 -0.644 20 0 CAADLO CN(C[C@H]1COCCO1)C(=O)CN1CC[NH2+]CC1=O ZINC000662657868 409601783 /nfs/dbraw/zinc/60/17/83/409601783.db2.gz RPAAOLXPUOMMHV-JTQLQIEISA-N 1 2 271.317 -1.708 20 0 CAADLO C[C@@H]1C[N@H+](CCNC(=O)CN2CCNCC2=O)[C@@H](C)CO1 ZINC000662632051 409603638 /nfs/dbraw/zinc/60/36/38/409603638.db2.gz WZCBQJYOVYHQJM-NWDGAFQWSA-N 1 2 298.387 -1.356 20 0 CAADLO C[C@@H]1C[N@@H+](CCNC(=O)CN2CCNCC2=O)[C@@H](C)CO1 ZINC000662632051 409603647 /nfs/dbraw/zinc/60/36/47/409603647.db2.gz WZCBQJYOVYHQJM-NWDGAFQWSA-N 1 2 298.387 -1.356 20 0 CAADLO C[C@@H]1CN(CCNC(=O)CN2CC[NH2+]CC2=O)[C@@H](C)CO1 ZINC000662632051 409603656 /nfs/dbraw/zinc/60/36/56/409603656.db2.gz WZCBQJYOVYHQJM-NWDGAFQWSA-N 1 2 298.387 -1.356 20 0 CAADLO CC[C@H]1C(=O)N(CC)CCN1C(=O)CN1CC[NH2+]CC1=O ZINC000662870824 409610240 /nfs/dbraw/zinc/61/02/40/409610240.db2.gz BSQGERZDMBNQGT-NSHDSACASA-N 1 2 296.371 -1.113 20 0 CAADLO CN(C)C(=O)Cn1ccc(NC(=O)[C@@H]2C[N@H+](C)CCO2)n1 ZINC000329868787 409641074 /nfs/dbraw/zinc/64/10/74/409641074.db2.gz XVYZJYITCMRYCV-JTQLQIEISA-N 1 2 295.343 -0.760 20 0 CAADLO CN(C)C(=O)Cn1ccc(NC(=O)[C@@H]2C[N@@H+](C)CCO2)n1 ZINC000329868787 409641080 /nfs/dbraw/zinc/64/10/80/409641080.db2.gz XVYZJYITCMRYCV-JTQLQIEISA-N 1 2 295.343 -0.760 20 0 CAADLO COCCn1ccc(NC(=O)[C@@H](C)N2CC[NH2+]CC2=O)n1 ZINC000637974980 409695376 /nfs/dbraw/zinc/69/53/76/409695376.db2.gz WMSHYEFWDJSBPG-SNVBAGLBSA-N 1 2 295.343 -0.712 20 0 CAADLO CC[NH+]1CCN(C(=O)C(=O)Nc2nc(C)n(C)n2)CC1 ZINC000339878615 409696099 /nfs/dbraw/zinc/69/60/99/409696099.db2.gz GVWODIYIFLHGLH-UHFFFAOYSA-N 1 2 280.332 -0.774 20 0 CAADLO CC[NH+]1CCN(C(=O)C(=O)Nc2ncn(C)n2)CC1 ZINC000339881094 409697807 /nfs/dbraw/zinc/69/78/07/409697807.db2.gz OEHDNQZWKOPNMN-UHFFFAOYSA-N 1 2 266.305 -1.082 20 0 CAADLO COc1c(N)[nH+]cnc1NCCN1CCCS1(=O)=O ZINC000405409895 409700523 /nfs/dbraw/zinc/70/05/23/409700523.db2.gz SXZNTBLGXSAJOD-UHFFFAOYSA-N 1 2 287.345 -0.485 20 0 CAADLO COc1c(N)nc[nH+]c1NCCN1CCCS1(=O)=O ZINC000405409895 409700532 /nfs/dbraw/zinc/70/05/32/409700532.db2.gz SXZNTBLGXSAJOD-UHFFFAOYSA-N 1 2 287.345 -0.485 20 0 CAADLO Cc1cn(C)nc1NC(=O)[C@@H](C)N1CC[NH2+]CC1=O ZINC000638432573 409712542 /nfs/dbraw/zinc/71/25/42/409712542.db2.gz LLRPDNVCEFBQOT-SECBINFHSA-N 1 2 265.317 -0.513 20 0 CAADLO c1cc(NC[C@H]2C[NH+]3CCN2CC3)nn2nnnc12 ZINC000394688283 409705302 /nfs/dbraw/zinc/70/53/02/409705302.db2.gz IKLMMXVEUSMCEG-VIFPVBQESA-N 1 2 260.305 -1.069 20 0 CAADLO Cc1nc(NC(=O)C(=O)N2CC[N@@H+](C)C[C@H]2C)nn1C ZINC000340319603 409709454 /nfs/dbraw/zinc/70/94/54/409709454.db2.gz WWUKKGOLRZSJNS-MRVPVSSYSA-N 1 2 280.332 -0.775 20 0 CAADLO Cc1nc(NC(=O)C(=O)N2CC[N@H+](C)C[C@H]2C)nn1C ZINC000340319603 409709460 /nfs/dbraw/zinc/70/94/60/409709460.db2.gz WWUKKGOLRZSJNS-MRVPVSSYSA-N 1 2 280.332 -0.775 20 0 CAADLO C[C@@]1(CO)C[C@@H](O)C[N@@H+]1CC(=O)Nc1ccon1 ZINC000639852539 409647613 /nfs/dbraw/zinc/64/76/13/409647613.db2.gz BDTXGPPCWQFTSL-KCJUWKMLSA-N 1 2 255.274 -0.569 20 0 CAADLO C[C@@]1(CO)C[C@@H](O)C[N@H+]1CC(=O)Nc1ccon1 ZINC000639852539 409647624 /nfs/dbraw/zinc/64/76/24/409647624.db2.gz BDTXGPPCWQFTSL-KCJUWKMLSA-N 1 2 255.274 -0.569 20 0 CAADLO Cn1ncc2c1nc(NC[C@](C)(O)CO)[nH+]c2N ZINC000360124622 409648057 /nfs/dbraw/zinc/64/80/57/409648057.db2.gz UNHHNSBYDAZSBK-JTQLQIEISA-N 1 2 252.278 -0.899 20 0 CAADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)Nc1ccn(C)n1 ZINC000435135194 409651152 /nfs/dbraw/zinc/65/11/52/409651152.db2.gz MZAVJGYUAAYSOY-LLVKDONJSA-N 1 2 297.359 -0.423 20 0 CAADLO CN1CC[N@H+](C)[C@H](CNc2cc(C(N)=O)ncn2)C1 ZINC000641369727 409653523 /nfs/dbraw/zinc/65/35/23/409653523.db2.gz IMSHDMFRNNIUPW-SECBINFHSA-N 1 2 264.333 -0.767 20 0 CAADLO CN1CC[N@@H+](C)[C@H](CNc2cc(C(N)=O)ncn2)C1 ZINC000641369727 409653529 /nfs/dbraw/zinc/65/35/29/409653529.db2.gz IMSHDMFRNNIUPW-SECBINFHSA-N 1 2 264.333 -0.767 20 0 CAADLO C[N@@H+]1CCO[C@H](CNc2ccc(S(N)(=O)=O)cn2)C1 ZINC000429212122 409653942 /nfs/dbraw/zinc/65/39/42/409653942.db2.gz NIDCONDAAKCKRH-SECBINFHSA-N 1 2 286.357 -0.529 20 0 CAADLO C[N@H+]1CCO[C@H](CNc2ccc(S(N)(=O)=O)cn2)C1 ZINC000429212122 409653950 /nfs/dbraw/zinc/65/39/50/409653950.db2.gz NIDCONDAAKCKRH-SECBINFHSA-N 1 2 286.357 -0.529 20 0 CAADLO CC(C)(C(N)=O)[NH+]1CCN(C(=O)N[C@H]2CCNC2=O)CC1 ZINC000665333937 409657838 /nfs/dbraw/zinc/65/78/38/409657838.db2.gz GWDCZLGFTHHNHH-VIFPVBQESA-N 1 2 297.359 -1.534 20 0 CAADLO NC(=O)C[C@@]1(O)CCC[N@H+](CC(=O)Nc2ccon2)C1 ZINC000643804099 409660193 /nfs/dbraw/zinc/66/01/93/409660193.db2.gz MLVVMBSYKHOSNE-LBPRGKRZSA-N 1 2 282.300 -0.685 20 0 CAADLO NC(=O)C[C@@]1(O)CCC[N@@H+](CC(=O)Nc2ccon2)C1 ZINC000643804099 409660201 /nfs/dbraw/zinc/66/02/01/409660201.db2.gz MLVVMBSYKHOSNE-LBPRGKRZSA-N 1 2 282.300 -0.685 20 0 CAADLO CNC(=O)[C@@H](CO)Nc1nc(N(C)C)nc(C)[nH+]1 ZINC000358865371 409660880 /nfs/dbraw/zinc/66/08/80/409660880.db2.gz WVOTUAAEJPSBMC-SSDOTTSWSA-N 1 2 254.294 -1.235 20 0 CAADLO CNC(=O)[C@@H](CO)Nc1nc(C)[nH+]c(N(C)C)n1 ZINC000358865371 409660885 /nfs/dbraw/zinc/66/08/85/409660885.db2.gz WVOTUAAEJPSBMC-SSDOTTSWSA-N 1 2 254.294 -1.235 20 0 CAADLO CNC(=O)[C@H](CO)Nc1nc(N(C)C)nc(C)[nH+]1 ZINC000358865372 409662404 /nfs/dbraw/zinc/66/24/04/409662404.db2.gz WVOTUAAEJPSBMC-ZETCQYMHSA-N 1 2 254.294 -1.235 20 0 CAADLO CNC(=O)[C@H](CO)Nc1nc(C)[nH+]c(N(C)C)n1 ZINC000358865372 409662408 /nfs/dbraw/zinc/66/24/08/409662408.db2.gz WVOTUAAEJPSBMC-ZETCQYMHSA-N 1 2 254.294 -1.235 20 0 CAADLO C[C@]1(CO)C[C@H](O)C[N@@H+]1CC(=O)Nc1ccon1 ZINC000639852538 409662864 /nfs/dbraw/zinc/66/28/64/409662864.db2.gz BDTXGPPCWQFTSL-GZMMTYOYSA-N 1 2 255.274 -0.569 20 0 CAADLO C[C@]1(CO)C[C@H](O)C[N@H+]1CC(=O)Nc1ccon1 ZINC000639852538 409662868 /nfs/dbraw/zinc/66/28/68/409662868.db2.gz BDTXGPPCWQFTSL-GZMMTYOYSA-N 1 2 255.274 -0.569 20 0 CAADLO Cc1nc(N(C)C)nc(NC[C@H](C)S(N)(=O)=O)[nH+]1 ZINC000348107227 409711129 /nfs/dbraw/zinc/71/11/29/409711129.db2.gz POEOYPVIRDUECH-LURJTMIESA-N 1 2 274.350 -0.665 20 0 CAADLO Cc1nc(NC[C@H](C)S(N)(=O)=O)nc(N(C)C)[nH+]1 ZINC000348107227 409711138 /nfs/dbraw/zinc/71/11/38/409711138.db2.gz POEOYPVIRDUECH-LURJTMIESA-N 1 2 274.350 -0.665 20 0 CAADLO NC(=O)c1cc(NC[C@@H]2C[NH+]3CCN2CC3)ncn1 ZINC000641453730 409665087 /nfs/dbraw/zinc/66/50/87/409665087.db2.gz OTQDIHHTWPHPIS-SECBINFHSA-N 1 2 262.317 -1.013 20 0 CAADLO CNc1ccc(C(=O)N[C@H](CO)C[NH+]2CCOCC2)cn1 ZINC000351507531 409665462 /nfs/dbraw/zinc/66/54/62/409665462.db2.gz ZZLBMSJCTDFMBO-LBPRGKRZSA-N 1 2 294.355 -0.454 20 0 CAADLO CNc1ccc(NC(=O)CN2CC[NH2+]CC2=O)cn1 ZINC000449560190 409665509 /nfs/dbraw/zinc/66/55/09/409665509.db2.gz HIZDSVZLCOZNFR-UHFFFAOYSA-N 1 2 263.301 -0.506 20 0 CAADLO CNc1ccc(C(=O)N[C@@H](CO)C[NH+]2CCOCC2)cn1 ZINC000351507530 409666696 /nfs/dbraw/zinc/66/66/96/409666696.db2.gz ZZLBMSJCTDFMBO-GFCCVEGCSA-N 1 2 294.355 -0.454 20 0 CAADLO CNc1nnc(CC(=O)NCC[NH+]2CCOCC2)s1 ZINC000352432557 409673541 /nfs/dbraw/zinc/67/35/41/409673541.db2.gz RELZAGKNAHASMV-UHFFFAOYSA-N 1 2 285.373 -0.429 20 0 CAADLO O=C(NCCC[N@@H+]1CCNC(=O)C1)Nc1nncs1 ZINC000332573267 409675561 /nfs/dbraw/zinc/67/55/61/409675561.db2.gz XBPSHBDSZMDBHE-UHFFFAOYSA-N 1 2 284.345 -0.519 20 0 CAADLO O=C(NCCC[N@H+]1CCNC(=O)C1)Nc1nncs1 ZINC000332573267 409675571 /nfs/dbraw/zinc/67/55/71/409675571.db2.gz XBPSHBDSZMDBHE-UHFFFAOYSA-N 1 2 284.345 -0.519 20 0 CAADLO COC(=O)Cn1ccc(NC(=O)[C@H]2COCC[NH2+]2)n1 ZINC000429980783 409682048 /nfs/dbraw/zinc/68/20/48/409682048.db2.gz CRGBZJLVVGAYCU-MRVPVSSYSA-N 1 2 268.273 -1.017 20 0 CAADLO O=C(NCCO)c1ccc(NCCn2cc[nH+]c2)nn1 ZINC000352414225 409682244 /nfs/dbraw/zinc/68/22/44/409682244.db2.gz FNWCARSPVGURAI-UHFFFAOYSA-N 1 2 276.300 -0.493 20 0 CAADLO O=C(NC[C@H](O)C[NH+]1CCOCC1)Nc1nncs1 ZINC000332549119 409685845 /nfs/dbraw/zinc/68/58/45/409685845.db2.gz FFMNEHXARIUFBD-QMMMGPOBSA-N 1 2 287.345 -0.647 20 0 CAADLO Cc1cc(NC(=O)[C@@H](C)N2CC[NH2+]CC2=O)nn1C ZINC000638354477 409689518 /nfs/dbraw/zinc/68/95/18/409689518.db2.gz NUOIAOUCODLPSX-SECBINFHSA-N 1 2 265.317 -0.513 20 0 CAADLO Cc1cc(NC(=O)NC[C@H](O)C[NH+]2CCOCC2)nn1C ZINC000332566406 409689679 /nfs/dbraw/zinc/68/96/79/409689679.db2.gz UJOIKZOCNUEAQV-NSHDSACASA-N 1 2 297.359 -0.457 20 0 CAADLO COCC[C@H](Nc1nc(N(C)C)nc(C)[nH+]1)C(N)=O ZINC000342793096 409690761 /nfs/dbraw/zinc/69/07/61/409690761.db2.gz XXVQYEDHSYNCLD-QMMMGPOBSA-N 1 2 268.321 -0.452 20 0 CAADLO COCC[C@H](Nc1nc(C)[nH+]c(N(C)C)n1)C(N)=O ZINC000342793096 409690765 /nfs/dbraw/zinc/69/07/65/409690765.db2.gz XXVQYEDHSYNCLD-QMMMGPOBSA-N 1 2 268.321 -0.452 20 0 CAADLO CC[N@@H+]1CCOC[C@H]1C(=O)NCCc1nc(N)n[nH]1 ZINC000615020382 409732551 /nfs/dbraw/zinc/73/25/51/409732551.db2.gz GEKBIKRZGSQQRW-QMMMGPOBSA-N 1 2 268.321 -1.234 20 0 CAADLO CC[N@H+]1CCOC[C@H]1C(=O)NCCc1nc(N)n[nH]1 ZINC000615020382 409732564 /nfs/dbraw/zinc/73/25/64/409732564.db2.gz GEKBIKRZGSQQRW-QMMMGPOBSA-N 1 2 268.321 -1.234 20 0 CAADLO COC[C@H]1C[C@@H](O)C[N@@H+]1Cc1nc(N)nc(N(C)C)n1 ZINC000649763503 409733930 /nfs/dbraw/zinc/73/39/30/409733930.db2.gz WUCXJOXNAYHSBK-RKDXNWHRSA-N 1 2 282.348 -0.899 20 0 CAADLO COC[C@H]1C[C@@H](O)C[N@H+]1Cc1nc(N)nc(N(C)C)n1 ZINC000649763503 409733936 /nfs/dbraw/zinc/73/39/36/409733936.db2.gz WUCXJOXNAYHSBK-RKDXNWHRSA-N 1 2 282.348 -0.899 20 0 CAADLO C[N@@H+]1CCO[C@@H](CN=c2nc3[nH][nH]cc-3c(N)n2)C1 ZINC000341923536 409741056 /nfs/dbraw/zinc/74/10/56/409741056.db2.gz YPHJJSFBAYTTSC-ZETCQYMHSA-N 1 2 263.305 -0.949 20 0 CAADLO C[N@H+]1CCO[C@@H](CN=c2nc3[nH][nH]cc-3c(N)n2)C1 ZINC000341923536 409741068 /nfs/dbraw/zinc/74/10/68/409741068.db2.gz YPHJJSFBAYTTSC-ZETCQYMHSA-N 1 2 263.305 -0.949 20 0 CAADLO C[C@@H]1C[N@H+](CCNC(=O)Cn2cnc(N)n2)CCO1 ZINC000630878547 409742284 /nfs/dbraw/zinc/74/22/84/409742284.db2.gz ABIHRSPNSRDNAU-SECBINFHSA-N 1 2 268.321 -1.303 20 0 CAADLO C[C@@H]1C[N@@H+](CCNC(=O)Cn2cnc(N)n2)CCO1 ZINC000630878547 409742287 /nfs/dbraw/zinc/74/22/87/409742287.db2.gz ABIHRSPNSRDNAU-SECBINFHSA-N 1 2 268.321 -1.303 20 0 CAADLO Nc1cc(C[N@@H+]2CCN3C(=O)C(=O)NC[C@H]3C2)ccn1 ZINC000329923640 409748932 /nfs/dbraw/zinc/74/89/32/409748932.db2.gz HBRPBLWXHRIKRP-JTQLQIEISA-N 1 2 275.312 -1.194 20 0 CAADLO Nc1cc(C[N@H+]2CCN3C(=O)C(=O)NC[C@H]3C2)ccn1 ZINC000329923640 409748938 /nfs/dbraw/zinc/74/89/38/409748938.db2.gz HBRPBLWXHRIKRP-JTQLQIEISA-N 1 2 275.312 -1.194 20 0 CAADLO Nc1nsc(N2CC[NH+]([C@H]3COC[C@@H]3O)CC2)n1 ZINC000361328051 409751575 /nfs/dbraw/zinc/75/15/75/409751575.db2.gz GMRUSEICVSXXFG-YUMQZZPRSA-N 1 2 271.346 -0.998 20 0 CAADLO Cc1nc(N[C@H]2CNC(=O)C2)nc(N[C@H]2CNC(=O)C2)[nH+]1 ZINC000432830764 409716822 /nfs/dbraw/zinc/71/68/22/409716822.db2.gz RURASSGGLWUXIL-HTQZYQBOSA-N 1 2 291.315 -1.219 20 0 CAADLO Cc1nc(N[C@@H]2CNC(=O)C2)nc(N[C@@H]2CNC(=O)C2)[nH+]1 ZINC000432830770 409716998 /nfs/dbraw/zinc/71/69/98/409716998.db2.gz RURASSGGLWUXIL-YUMQZZPRSA-N 1 2 291.315 -1.219 20 0 CAADLO NC(=O)C(=O)N[C@@H]1C[N@H+](C[C@@H](O)CC(F)(F)F)C[C@H]1O ZINC001195716930 782014452 /nfs/dbraw/zinc/01/44/52/782014452.db2.gz FKBSPOLHWPELNI-RRKCRQDMSA-N 1 2 299.249 -2.054 20 0 CAADLO NC(=O)C(=O)N[C@@H]1C[N@@H+](C[C@@H](O)CC(F)(F)F)C[C@H]1O ZINC001195716930 782014457 /nfs/dbraw/zinc/01/44/57/782014457.db2.gz FKBSPOLHWPELNI-RRKCRQDMSA-N 1 2 299.249 -2.054 20 0 CAADLO CNC(=O)C[N@@H+]1CCCN(C(=O)CCNC(=O)NC)CC1 ZINC001195736703 782015561 /nfs/dbraw/zinc/01/55/61/782015561.db2.gz PXXIBLMWXNNMLZ-UHFFFAOYSA-N 1 2 299.375 -1.414 20 0 CAADLO CNC(=O)C[N@H+]1CCCN(C(=O)CCNC(=O)NC)CC1 ZINC001195736703 782015570 /nfs/dbraw/zinc/01/55/70/782015570.db2.gz PXXIBLMWXNNMLZ-UHFFFAOYSA-N 1 2 299.375 -1.414 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2(C(N)=O)CC2)C1 ZINC001195783985 782016687 /nfs/dbraw/zinc/01/66/87/782016687.db2.gz ZNFDTWKLFFRLFT-DJLDLDEBSA-N 1 2 298.343 -2.452 20 0 CAADLO CNC(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)C2(C(N)=O)CC2)C1 ZINC001195783985 782016697 /nfs/dbraw/zinc/01/66/97/782016697.db2.gz ZNFDTWKLFFRLFT-DJLDLDEBSA-N 1 2 298.343 -2.452 20 0 CAADLO COCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2=NC(=O)N(C)C2)C1 ZINC001195842633 782018873 /nfs/dbraw/zinc/01/88/73/782018873.db2.gz QCPASLALWUSVAI-MWLCHTKSSA-N 1 2 298.343 -1.063 20 0 CAADLO COCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C2=NC(=O)N(C)C2)C1 ZINC001195842633 782018877 /nfs/dbraw/zinc/01/88/77/782018877.db2.gz QCPASLALWUSVAI-MWLCHTKSSA-N 1 2 298.343 -1.063 20 0 CAADLO C[NH+](C)CCC(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[nH]2)C[C@H]1O ZINC001195859971 782019245 /nfs/dbraw/zinc/01/92/45/782019245.db2.gz QAXZSUBIVBWAQW-RKDXNWHRSA-N 1 2 298.347 -1.877 20 0 CAADLO C[C@H](CC(=O)N1CCC[N@@H+]([C@@H](C)C(N)=O)CC1)NC(N)=O ZINC001195853854 782019670 /nfs/dbraw/zinc/01/96/70/782019670.db2.gz OZIKBMPPHHGPEH-ZJUUUORDSA-N 1 2 299.375 -1.159 20 0 CAADLO C[C@H](CC(=O)N1CCC[N@H+]([C@@H](C)C(N)=O)CC1)NC(N)=O ZINC001195853854 782019676 /nfs/dbraw/zinc/01/96/76/782019676.db2.gz OZIKBMPPHHGPEH-ZJUUUORDSA-N 1 2 299.375 -1.159 20 0 CAADLO O=C([C@H]1CSC(=O)N1)N1CC[NH+](CCO)CC1 ZINC000035609657 172295099 /nfs/dbraw/zinc/29/50/99/172295099.db2.gz UGSDPUNKHRDVOW-MRVPVSSYSA-N 1 2 259.331 -1.052 20 0 CAADLO O=C(c1c[nH]c(=O)cn1)N1CC[NH+](CCO)CC1 ZINC000035609654 172295304 /nfs/dbraw/zinc/29/53/04/172295304.db2.gz ZPAZUBGILVMAGG-UHFFFAOYSA-N 1 2 252.274 -1.480 20 0 CAADLO CS(=O)(=O)CCC(=O)N1CCC[N@H+](CCO)CC1 ZINC000071348920 176132415 /nfs/dbraw/zinc/13/24/15/176132415.db2.gz JYOADGZBBWEYTH-UHFFFAOYSA-N 1 2 278.374 -1.052 20 0 CAADLO CS(=O)(=O)CCC(=O)N1CCC[N@@H+](CCO)CC1 ZINC000071348920 176132416 /nfs/dbraw/zinc/13/24/16/176132416.db2.gz JYOADGZBBWEYTH-UHFFFAOYSA-N 1 2 278.374 -1.052 20 0 CAADLO O=C(CN1CCCS1(=O)=O)NCC[NH+]1CCOCC1 ZINC000344205239 224979668 /nfs/dbraw/zinc/97/96/68/224979668.db2.gz HHWNKZCYHMBKIK-UHFFFAOYSA-N 1 2 291.373 -1.530 20 0 CAADLO NC(=O)CNC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000344264107 225008639 /nfs/dbraw/zinc/00/86/39/225008639.db2.gz PFPTZEDOCYQYSG-JTQLQIEISA-N 1 2 298.343 -2.231 20 0 CAADLO CN(C)C(=O)CC(=O)NCCC[N@@H+]1CCNC(=O)C1 ZINC000344682312 225125143 /nfs/dbraw/zinc/12/51/43/225125143.db2.gz GHJUUSULXGACHI-UHFFFAOYSA-N 1 2 270.333 -1.597 20 0 CAADLO CN(C)C(=O)CC(=O)NCCC[N@H+]1CCNC(=O)C1 ZINC000344682312 225125145 /nfs/dbraw/zinc/12/51/45/225125145.db2.gz GHJUUSULXGACHI-UHFFFAOYSA-N 1 2 270.333 -1.597 20 0 CAADLO Cn1c(=O)cccc1C(=O)NCCC[N@@H+]1CCNC(=O)C1 ZINC000344704917 225152141 /nfs/dbraw/zinc/15/21/41/225152141.db2.gz PHVWGOHXNWTHPF-UHFFFAOYSA-N 1 2 292.339 -1.063 20 0 CAADLO Cn1c(=O)cccc1C(=O)NCCC[N@H+]1CCNC(=O)C1 ZINC000344704917 225152146 /nfs/dbraw/zinc/15/21/46/225152146.db2.gz PHVWGOHXNWTHPF-UHFFFAOYSA-N 1 2 292.339 -1.063 20 0 CAADLO COC[C@H](O)CN(CC[NH+]1CCOCC1)CC(=O)OC ZINC000344710346 225154531 /nfs/dbraw/zinc/15/45/31/225154531.db2.gz MWGNYKCJOHNZGM-GFCCVEGCSA-N 1 2 290.360 -1.199 20 0 CAADLO C[C@H](C[NH+](C)C)NS(=O)(=O)N1CCS(=O)(=O)CC1 ZINC000344909758 225200232 /nfs/dbraw/zinc/20/02/32/225200232.db2.gz CQQWTSCFFOTRBS-SECBINFHSA-N 1 2 299.418 -1.499 20 0 CAADLO O=C(CNC(=O)COCC1CC1)NCC[NH+]1CCOCC1 ZINC000347887191 226382640 /nfs/dbraw/zinc/38/26/40/226382640.db2.gz IEWLNEPTYKUKNP-UHFFFAOYSA-N 1 2 299.371 -1.022 20 0 CAADLO CO[C@@H](C)C(=O)NCC(=O)NCC[NH+]1CCOCC1 ZINC000347889473 226383501 /nfs/dbraw/zinc/38/35/01/226383501.db2.gz FYAUMDNALIGUEE-JTQLQIEISA-N 1 2 273.333 -1.414 20 0 CAADLO O=C(CNC(=O)Cn1cccn1)NCC[NH+]1CCOCC1 ZINC000347897655 226383986 /nfs/dbraw/zinc/38/39/86/226383986.db2.gz XAFUCQCCLSJFAC-UHFFFAOYSA-N 1 2 295.343 -1.552 20 0 CAADLO COCC[NH+]1CCN(C(=O)C(=O)NCC2(C)COC2)CC1 ZINC000347977025 226397339 /nfs/dbraw/zinc/39/73/39/226397339.db2.gz KNFWBWLFQCFTKT-UHFFFAOYSA-N 1 2 299.371 -1.070 20 0 CAADLO O=C(CNC(=O)C1CC1)N[C@H](CO)C[NH+]1CCOCC1 ZINC000575176118 335075572 /nfs/dbraw/zinc/07/55/72/335075572.db2.gz LNFLRECAFKKDAZ-NSHDSACASA-N 1 2 285.344 -1.678 20 0 CAADLO O=C(CNC(=O)C1CC1)N[C@@H](CO)C[NH+]1CCOCC1 ZINC000575176117 335075742 /nfs/dbraw/zinc/07/57/42/335075742.db2.gz LNFLRECAFKKDAZ-LLVKDONJSA-N 1 2 285.344 -1.678 20 0 CAADLO C[C@@H]1C[N@H+](Cc2cc(=O)n(C)c(=O)n2C)C[C@H](CO)O1 ZINC000191778160 227172710 /nfs/dbraw/zinc/17/27/10/227172710.db2.gz YODQUYBKQAISHI-MWLCHTKSSA-N 1 2 283.328 -1.334 20 0 CAADLO C[C@@H]1C[N@@H+](Cc2cc(=O)n(C)c(=O)n2C)C[C@H](CO)O1 ZINC000191778160 227172713 /nfs/dbraw/zinc/17/27/13/227172713.db2.gz YODQUYBKQAISHI-MWLCHTKSSA-N 1 2 283.328 -1.334 20 0 CAADLO CN(C)S(=O)(=O)CC[N@H+](C)[C@@H]1COC[C@@H]1O ZINC000352798172 227236039 /nfs/dbraw/zinc/23/60/39/227236039.db2.gz JPAZRJDYNUBIJO-BDAKNGLRSA-N 1 2 252.336 -1.431 20 0 CAADLO CN(C)S(=O)(=O)CC[N@@H+](C)[C@@H]1COC[C@@H]1O ZINC000352798172 227236041 /nfs/dbraw/zinc/23/60/41/227236041.db2.gz JPAZRJDYNUBIJO-BDAKNGLRSA-N 1 2 252.336 -1.431 20 0 CAADLO CO[C@@H](C)CS(=O)(=O)N1CC[NH+](CCO)CC1 ZINC000192886024 227339451 /nfs/dbraw/zinc/33/94/51/227339451.db2.gz DQHVTWKGKZOXFL-JTQLQIEISA-N 1 2 266.363 -1.039 20 0 CAADLO Cn1[nH]cnc1=NC(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C ZINC000329184304 227342916 /nfs/dbraw/zinc/34/29/16/227342916.db2.gz PTSXRJNWWXAMSQ-BDAKNGLRSA-N 1 2 266.305 -1.216 20 0 CAADLO Cn1[nH]cnc1=NC(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C ZINC000329184304 227342920 /nfs/dbraw/zinc/34/29/20/227342920.db2.gz PTSXRJNWWXAMSQ-BDAKNGLRSA-N 1 2 266.305 -1.216 20 0 CAADLO O=C(NC[C@@H](O)C[NH+]1CCOCC1)C1(O)CCC1 ZINC000331391883 228097198 /nfs/dbraw/zinc/09/71/98/228097198.db2.gz DHCXOONIHZRLQK-SNVBAGLBSA-N 1 2 258.318 -1.289 20 0 CAADLO COCCN1CCC[N@H+](CCN2C(=O)CNC2=O)CC1=O ZINC000331516247 228109768 /nfs/dbraw/zinc/10/97/68/228109768.db2.gz URPPLCUOTZQCKJ-UHFFFAOYSA-N 1 2 298.343 -1.281 20 0 CAADLO COCCN1CCC[N@@H+](CCN2C(=O)CNC2=O)CC1=O ZINC000331516247 228109770 /nfs/dbraw/zinc/10/97/70/228109770.db2.gz URPPLCUOTZQCKJ-UHFFFAOYSA-N 1 2 298.343 -1.281 20 0 CAADLO COCC[N@H+](CCO)CC(=O)N[C@@H](C)C(=O)N(C)C ZINC000355969311 228071166 /nfs/dbraw/zinc/07/11/66/228071166.db2.gz RUCJUSNUEABKEG-JTQLQIEISA-N 1 2 275.349 -1.480 20 0 CAADLO COCC[N@@H+](CCO)CC(=O)N[C@@H](C)C(=O)N(C)C ZINC000355969311 228071169 /nfs/dbraw/zinc/07/11/69/228071169.db2.gz RUCJUSNUEABKEG-JTQLQIEISA-N 1 2 275.349 -1.480 20 0 CAADLO COCC[N@H+](CCO)CC(=O)N[C@H](C)C(=O)N(C)C ZINC000355969315 228071305 /nfs/dbraw/zinc/07/13/05/228071305.db2.gz RUCJUSNUEABKEG-SNVBAGLBSA-N 1 2 275.349 -1.480 20 0 CAADLO COCC[N@@H+](CCO)CC(=O)N[C@H](C)C(=O)N(C)C ZINC000355969315 228071307 /nfs/dbraw/zinc/07/13/07/228071307.db2.gz RUCJUSNUEABKEG-SNVBAGLBSA-N 1 2 275.349 -1.480 20 0 CAADLO C[C@H](O)C[NH+]1CCN(S(=O)(=O)C2COC2)CC1 ZINC000330234594 228075155 /nfs/dbraw/zinc/07/51/55/228075155.db2.gz YLBJPBZCEYEYQP-VIFPVBQESA-N 1 2 264.347 -1.287 20 0 CAADLO O=C(NC[C@@H]1COCCO1)C(=O)N1CCn2cc[nH+]c2C1 ZINC000332144190 228150479 /nfs/dbraw/zinc/15/04/79/228150479.db2.gz LDEJMYZADCXAHU-SNVBAGLBSA-N 1 2 294.311 -1.243 20 0 CAADLO COC[C@H](O)C[NH+]1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC000332194437 228151329 /nfs/dbraw/zinc/15/13/29/228151329.db2.gz RENTXMNJAIWZLQ-LLVKDONJSA-N 1 2 285.344 -1.584 20 0 CAADLO NC(=O)c1cc(C(=O)NCCC[N@@H+]2CCNC(=O)C2)co1 ZINC000353868287 228161217 /nfs/dbraw/zinc/16/12/17/228161217.db2.gz PXWJMWKZGRBVGH-UHFFFAOYSA-N 1 2 294.311 -1.070 20 0 CAADLO NC(=O)c1cc(C(=O)NCCC[N@H+]2CCNC(=O)C2)co1 ZINC000353868287 228161219 /nfs/dbraw/zinc/16/12/19/228161219.db2.gz PXWJMWKZGRBVGH-UHFFFAOYSA-N 1 2 294.311 -1.070 20 0 CAADLO C[C@@H](C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1)n1cncn1 ZINC000332549122 228163431 /nfs/dbraw/zinc/16/34/31/228163431.db2.gz FFULORDTUCQOKQ-RYUDHWBXSA-N 1 2 297.359 -1.009 20 0 CAADLO C[C@@H](C(=O)NCCCN1C(=O)CNC1=O)[NH+]1CCOCC1 ZINC000332542954 228163474 /nfs/dbraw/zinc/16/34/74/228163474.db2.gz DQMFWBWMFIMPOD-JTQLQIEISA-N 1 2 298.343 -1.235 20 0 CAADLO O=C(NCC1([NH+]2CCOCC2)CC1)N1CCNC(=O)C1 ZINC000332993684 228186489 /nfs/dbraw/zinc/18/64/89/228186489.db2.gz AIUVZZORYUVBHE-UHFFFAOYSA-N 1 2 282.344 -1.007 20 0 CAADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)CN1CCN(C)C(=O)C1 ZINC000333026552 228187918 /nfs/dbraw/zinc/18/79/18/228187918.db2.gz GMZGKSNHWIIFRM-GFCCVEGCSA-N 1 2 298.387 -1.403 20 0 CAADLO C[C@@H]1COCC[N@H+]1CCNC(=O)CN1CCN(C)C(=O)C1 ZINC000333026552 228187919 /nfs/dbraw/zinc/18/79/19/228187919.db2.gz GMZGKSNHWIIFRM-GFCCVEGCSA-N 1 2 298.387 -1.403 20 0 CAADLO C[C@@H]1C[N@H+](CCO)CCN1S(=O)(=O)C1COC1 ZINC000333056807 228189053 /nfs/dbraw/zinc/18/90/53/228189053.db2.gz HQDWOVBPCQAOCG-SECBINFHSA-N 1 2 264.347 -1.287 20 0 CAADLO C[C@@H]1C[N@@H+](CCO)CCN1S(=O)(=O)C1COC1 ZINC000333056807 228189054 /nfs/dbraw/zinc/18/90/54/228189054.db2.gz HQDWOVBPCQAOCG-SECBINFHSA-N 1 2 264.347 -1.287 20 0 CAADLO C[C@@H]1C[C@H](C(=O)NCC(=O)NCC[NH+]2CCOCC2)CO1 ZINC000333281761 228195756 /nfs/dbraw/zinc/19/57/56/228195756.db2.gz JBYUMOAXHAGANU-NEPJUHHUSA-N 1 2 299.371 -1.024 20 0 CAADLO CNC(=O)C[N@@H+]1CCCN(C(=O)CNC(=O)NC)CC1 ZINC001196066327 782024670 /nfs/dbraw/zinc/02/46/70/782024670.db2.gz JNCIMYLWCZPPKS-UHFFFAOYSA-N 1 2 285.348 -1.804 20 0 CAADLO CNC(=O)C[N@H+]1CCCN(C(=O)CNC(=O)NC)CC1 ZINC001196066327 782024677 /nfs/dbraw/zinc/02/46/77/782024677.db2.gz JNCIMYLWCZPPKS-UHFFFAOYSA-N 1 2 285.348 -1.804 20 0 CAADLO Cn1c(=O)ccn(CC(=O)NCCn2cc[nH+]c2)c1=O ZINC000041775465 230155342 /nfs/dbraw/zinc/15/53/42/230155342.db2.gz CAKHEDATZLMRDJ-UHFFFAOYSA-N 1 2 277.284 -1.440 20 0 CAADLO C[C@H](C[NH+]1CCOCC1)NC(=O)CCNC(N)=O ZINC000076281405 230162662 /nfs/dbraw/zinc/16/26/62/230162662.db2.gz FIRVCKSCKGDIFB-SECBINFHSA-N 1 2 258.322 -1.118 20 0 CAADLO Cn1cc(C(=O)NC[C@@H]2C[NH+]3CCN2CC3)nn1 ZINC000090698823 230164641 /nfs/dbraw/zinc/16/46/41/230164641.db2.gz GTUSPUWVQBDPQP-SECBINFHSA-N 1 2 250.306 -1.455 20 0 CAADLO C[C@H](O)C[N@H+](C)Cc1nc2c([nH]1)n(C)c(=O)n(C)c2=O ZINC000093176125 230166767 /nfs/dbraw/zinc/16/67/67/230166767.db2.gz PHQWIPXKICRAIR-ZETCQYMHSA-N 1 2 281.316 -1.227 20 0 CAADLO C[C@H](O)C[N@@H+](C)Cc1nc2c([nH]1)n(C)c(=O)n(C)c2=O ZINC000093176125 230166775 /nfs/dbraw/zinc/16/67/75/230166775.db2.gz PHQWIPXKICRAIR-ZETCQYMHSA-N 1 2 281.316 -1.227 20 0 CAADLO CCn1c(N)c(C(=O)C[N@@H+]2CC[C@@H](O)C2)c(=O)[nH]c1=O ZINC000114485769 230170289 /nfs/dbraw/zinc/17/02/89/230170289.db2.gz LLJDALCMVGAMDH-SSDOTTSWSA-N 1 2 282.300 -1.612 20 0 CAADLO CCn1c(N)c(C(=O)C[N@H+]2CC[C@@H](O)C2)c(=O)[nH]c1=O ZINC000114485769 230170295 /nfs/dbraw/zinc/17/02/95/230170295.db2.gz LLJDALCMVGAMDH-SSDOTTSWSA-N 1 2 282.300 -1.612 20 0 CAADLO Cn1c(N)c(C(=O)C[N@H+]2CCC[C@H]2CO)c(=O)n(C)c1=O ZINC000118401174 230171436 /nfs/dbraw/zinc/17/14/36/230171436.db2.gz ZLHWBFJNANHDEL-QMMMGPOBSA-N 1 2 296.327 -1.694 20 0 CAADLO O=C(N[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@H]1O)C1(CF)CC1 ZINC001196106462 782027030 /nfs/dbraw/zinc/02/70/30/782027030.db2.gz HNRUPGVSRKCVRW-OPRDCNLKSA-N 1 2 285.319 -1.214 20 0 CAADLO O=C(N[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@H]1O)C1(CF)CC1 ZINC001196106462 782027035 /nfs/dbraw/zinc/02/70/35/782027035.db2.gz HNRUPGVSRKCVRW-OPRDCNLKSA-N 1 2 285.319 -1.214 20 0 CAADLO C[C@@H](O)C[N@H+](C)CC(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000156288154 230179695 /nfs/dbraw/zinc/17/96/95/230179695.db2.gz FIEYAALVAMZDCK-SSDOTTSWSA-N 1 2 284.316 -1.839 20 0 CAADLO C[C@@H](O)C[N@@H+](C)CC(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000156288154 230179704 /nfs/dbraw/zinc/17/97/04/230179704.db2.gz FIEYAALVAMZDCK-SSDOTTSWSA-N 1 2 284.316 -1.839 20 0 CAADLO O=C(CN1CC[NH2+]CC1=O)NCCCn1cccn1 ZINC000151138330 230182048 /nfs/dbraw/zinc/18/20/48/230182048.db2.gz OSAJJQXCUCJCPI-UHFFFAOYSA-N 1 2 265.317 -1.179 20 0 CAADLO C[C@@H]1CO[C@@H](CO)C[N@@H+]1CC(=O)N1CCC[C@H](C(N)=O)C1 ZINC000167842038 230185899 /nfs/dbraw/zinc/18/58/99/230185899.db2.gz NTNCGLBHAIJGBI-GRYCIOLGSA-N 1 2 299.371 -1.208 20 0 CAADLO C[C@@H]1CO[C@@H](CO)C[N@H+]1CC(=O)N1CCC[C@H](C(N)=O)C1 ZINC000167842038 230185905 /nfs/dbraw/zinc/18/59/05/230185905.db2.gz NTNCGLBHAIJGBI-GRYCIOLGSA-N 1 2 299.371 -1.208 20 0 CAADLO C[C@@H]1CO[C@@H](CO)C[N@@H+]1Cc1cc(=O)n(C)c(=O)n1C ZINC000167825301 230186670 /nfs/dbraw/zinc/18/66/70/230186670.db2.gz NGWLAGRRRQBAAV-MWLCHTKSSA-N 1 2 283.328 -1.334 20 0 CAADLO C[C@@H]1CO[C@@H](CO)C[N@H+]1Cc1cc(=O)n(C)c(=O)n1C ZINC000167825301 230186678 /nfs/dbraw/zinc/18/66/78/230186678.db2.gz NGWLAGRRRQBAAV-MWLCHTKSSA-N 1 2 283.328 -1.334 20 0 CAADLO C[C@]1(C(=O)N2CC[NH+](CCO)CC2)CNC(=O)C1 ZINC000170247276 230187789 /nfs/dbraw/zinc/18/77/89/230187789.db2.gz JXZWMXJKKYTMIG-GFCCVEGCSA-N 1 2 255.318 -1.351 20 0 CAADLO COC[C@@H]1C[N@H+](Cc2cc(=O)n(C)c(=O)n2C)CCO1 ZINC000172889436 230188402 /nfs/dbraw/zinc/18/84/02/230188402.db2.gz ISRNGFFSBZDDIB-NSHDSACASA-N 1 2 283.328 -1.069 20 0 CAADLO COC[C@@H]1C[N@@H+](Cc2cc(=O)n(C)c(=O)n2C)CCO1 ZINC000172889436 230188406 /nfs/dbraw/zinc/18/84/06/230188406.db2.gz ISRNGFFSBZDDIB-NSHDSACASA-N 1 2 283.328 -1.069 20 0 CAADLO C[C@H](O)C[NH+]1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC000172217456 230190534 /nfs/dbraw/zinc/19/05/34/230190534.db2.gz BIHMYLXKMZGBLU-VIFPVBQESA-N 1 2 255.318 -1.210 20 0 CAADLO Cn1c(N)c(C(=O)C[N@@H+]2CC[C@H](CO)C2)c(=O)n(C)c1=O ZINC000174709809 230190617 /nfs/dbraw/zinc/19/06/17/230190617.db2.gz KBQJVDZGOHJRIU-QMMMGPOBSA-N 1 2 296.327 -1.837 20 0 CAADLO Cn1c(N)c(C(=O)C[N@H+]2CC[C@H](CO)C2)c(=O)n(C)c1=O ZINC000174709809 230190621 /nfs/dbraw/zinc/19/06/21/230190621.db2.gz KBQJVDZGOHJRIU-QMMMGPOBSA-N 1 2 296.327 -1.837 20 0 CAADLO Cn1c2[nH]c(C[N@@H+]3CC[C@@](C)(O)C3)nc2c(=O)n(C)c1=O ZINC000177996254 230191165 /nfs/dbraw/zinc/19/11/65/230191165.db2.gz NGDIHTQDHGDNNV-CYBMUJFWSA-N 1 2 293.327 -1.083 20 0 CAADLO Cn1c2[nH]c(C[N@H+]3CC[C@@](C)(O)C3)nc2c(=O)n(C)c1=O ZINC000177996254 230191168 /nfs/dbraw/zinc/19/11/68/230191168.db2.gz NGDIHTQDHGDNNV-CYBMUJFWSA-N 1 2 293.327 -1.083 20 0 CAADLO Cn1c(N)c(C(=O)C[N@@H+]2CC[C@@](C)(O)C2)c(=O)n(C)c1=O ZINC000178012604 230191772 /nfs/dbraw/zinc/19/17/72/230191772.db2.gz YDGHDCYQCUNOJB-CYBMUJFWSA-N 1 2 296.327 -1.694 20 0 CAADLO Cn1c(N)c(C(=O)C[N@H+]2CC[C@@](C)(O)C2)c(=O)n(C)c1=O ZINC000178012604 230191777 /nfs/dbraw/zinc/19/17/77/230191777.db2.gz YDGHDCYQCUNOJB-CYBMUJFWSA-N 1 2 296.327 -1.694 20 0 CAADLO O=C(C[N@@H+]1CCN2C(=O)NC[C@@H]2C1)N1CCOCC1 ZINC000175899352 230193093 /nfs/dbraw/zinc/19/30/93/230193093.db2.gz YUTIFGRUXROBGU-SNVBAGLBSA-N 1 2 268.317 -1.445 20 0 CAADLO O=C(C[N@H+]1CCN2C(=O)NC[C@@H]2C1)N1CCOCC1 ZINC000175899352 230193098 /nfs/dbraw/zinc/19/30/98/230193098.db2.gz YUTIFGRUXROBGU-SNVBAGLBSA-N 1 2 268.317 -1.445 20 0 CAADLO O=C(NC[C@H]1C[NH+]2CCN1CC2)[C@H]1CCNC(=O)C1 ZINC000178731967 230193917 /nfs/dbraw/zinc/19/39/17/230193917.db2.gz AXNZMTWOAKYNID-QWRGUYRKSA-N 1 2 266.345 -1.371 20 0 CAADLO Nc1nccnc1C(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000178969264 230194315 /nfs/dbraw/zinc/19/43/15/230194315.db2.gz LVBWYXDZBDNLAV-VIFPVBQESA-N 1 2 262.317 -1.212 20 0 CAADLO C[C@H](C(=O)NC[C@@H]1C[NH+]2CCN1CC2)n1cncn1 ZINC000178721527 230194991 /nfs/dbraw/zinc/19/49/91/230194991.db2.gz FUVVZOFBFJJBSM-GHMZBOCLSA-N 1 2 264.333 -1.045 20 0 CAADLO COCC(=O)N(C)CC(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000179454689 230195204 /nfs/dbraw/zinc/19/52/04/230195204.db2.gz MKHJJMBLJONILX-LLVKDONJSA-N 1 2 284.360 -1.793 20 0 CAADLO C[C@H]([C@H](C)NC(=O)Cn1ncn(C)c1=O)[NH+]1CCOCC1 ZINC000181598411 230198684 /nfs/dbraw/zinc/19/86/84/230198684.db2.gz XHNVVPHLRSILBZ-WDEREUQCSA-N 1 2 297.359 -1.193 20 0 CAADLO COCCS(=O)(=O)N1CC[NH+](CCCO)CC1 ZINC000182441516 230201189 /nfs/dbraw/zinc/20/11/89/230201189.db2.gz ORUAJKQEXRMBRK-UHFFFAOYSA-N 1 2 266.363 -1.037 20 0 CAADLO C[C@H](CO)N(C[C@H](C)O)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000189280562 230203272 /nfs/dbraw/zinc/20/32/72/230203272.db2.gz QTVCRXWTFYDCPW-VWYCJHECSA-N 1 2 260.334 -1.093 20 0 CAADLO C[C@H](CO)N(C[C@H](C)O)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000189280562 230203275 /nfs/dbraw/zinc/20/32/75/230203275.db2.gz QTVCRXWTFYDCPW-VWYCJHECSA-N 1 2 260.334 -1.093 20 0 CAADLO C[C@@H]1CN(S(=O)(=O)N(C)C)CC[N@@H+]1CCO ZINC000188726976 230203874 /nfs/dbraw/zinc/20/38/74/230203874.db2.gz OJPPPIPDBKWGGG-SECBINFHSA-N 1 2 251.352 -1.209 20 0 CAADLO C[C@@H]1CN(S(=O)(=O)N(C)C)CC[N@H+]1CCO ZINC000188726976 230203879 /nfs/dbraw/zinc/20/38/79/230203879.db2.gz OJPPPIPDBKWGGG-SECBINFHSA-N 1 2 251.352 -1.209 20 0 CAADLO C[C@H](O)CN(C(=O)[C@@H]1C[N@H+](C)CCO1)[C@@H](C)CO ZINC000189280527 230204021 /nfs/dbraw/zinc/20/40/21/230204021.db2.gz QTVCRXWTFYDCPW-DCAQKATOSA-N 1 2 260.334 -1.093 20 0 CAADLO C[C@H](O)CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)[C@@H](C)CO ZINC000189280527 230204026 /nfs/dbraw/zinc/20/40/26/230204026.db2.gz QTVCRXWTFYDCPW-DCAQKATOSA-N 1 2 260.334 -1.093 20 0 CAADLO O=C1NC[C@@H]2C[N@H+](C[C@H](O)CC(F)(F)F)CCN2C1=O ZINC000189563825 230208520 /nfs/dbraw/zinc/20/85/20/230208520.db2.gz YFTFTURYXZDNCK-HTQZYQBOSA-N 1 2 295.261 -1.058 20 0 CAADLO O=C1NC[C@@H]2C[N@@H+](C[C@H](O)CC(F)(F)F)CCN2C1=O ZINC000189563825 230208523 /nfs/dbraw/zinc/20/85/23/230208523.db2.gz YFTFTURYXZDNCK-HTQZYQBOSA-N 1 2 295.261 -1.058 20 0 CAADLO C[C@@H]1CO[C@@H](CO)C[N@@H+]1CC(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000221208910 230210880 /nfs/dbraw/zinc/21/08/80/230210880.db2.gz NTNCGLBHAIJGBI-IJLUTSLNSA-N 1 2 299.371 -1.208 20 0 CAADLO C[C@@H]1CO[C@@H](CO)C[N@H+]1CC(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000221208910 230210884 /nfs/dbraw/zinc/21/08/84/230210884.db2.gz NTNCGLBHAIJGBI-IJLUTSLNSA-N 1 2 299.371 -1.208 20 0 CAADLO COCC[N@H+](CC(=O)NC(=O)NC1CC1)[C@@H](C)C(N)=O ZINC000358391259 230244818 /nfs/dbraw/zinc/24/48/18/230244818.db2.gz XZOZTJHTSDRCRG-QMMMGPOBSA-N 1 2 286.332 -1.203 20 0 CAADLO COCC[N@@H+](CC(=O)NC(=O)NC1CC1)[C@@H](C)C(N)=O ZINC000358391259 230244822 /nfs/dbraw/zinc/24/48/22/230244822.db2.gz XZOZTJHTSDRCRG-QMMMGPOBSA-N 1 2 286.332 -1.203 20 0 CAADLO COCCN(C[C@H](O)C[NH+]1CCOCC1)[C@H](C)C(N)=O ZINC000358353258 230245568 /nfs/dbraw/zinc/24/55/68/230245568.db2.gz JTZLYHWGFQKHJA-VXGBXAGGSA-N 1 2 289.376 -1.498 20 0 CAADLO C[N@@H+]1CCO[C@H](CNC(=O)c2cncc(=O)[nH]2)C1 ZINC001196163362 782028461 /nfs/dbraw/zinc/02/84/61/782028461.db2.gz ASXKPQJDEDNBKM-MRVPVSSYSA-N 1 2 252.274 -1.170 20 0 CAADLO C[N@H+]1CCO[C@H](CNC(=O)c2cncc(=O)[nH]2)C1 ZINC001196163362 782028467 /nfs/dbraw/zinc/02/84/67/782028467.db2.gz ASXKPQJDEDNBKM-MRVPVSSYSA-N 1 2 252.274 -1.170 20 0 CAADLO O=C(N[C@@H](CO)C[NH+]1CCOCC1)[C@H]1CCCC(=O)N1 ZINC000425295064 230284938 /nfs/dbraw/zinc/28/49/38/230284938.db2.gz OKGBZPHEEKSEGJ-GHMZBOCLSA-N 1 2 285.344 -1.536 20 0 CAADLO O=C(C[C@@H]1CCCC(=O)N1)N[C@H](CO)C[NH+]1CCOCC1 ZINC000425291096 230285166 /nfs/dbraw/zinc/28/51/66/230285166.db2.gz HXRQLQAPDKLGBK-RYUDHWBXSA-N 1 2 299.371 -1.146 20 0 CAADLO C[C@H](O)CC[N@@H+]1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 ZINC000425447381 230286355 /nfs/dbraw/zinc/28/63/55/230286355.db2.gz QKMIZUSCHICYEI-JTQLQIEISA-N 1 2 297.359 -1.281 20 0 CAADLO C[C@H](O)CC[N@H+]1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 ZINC000425447381 230286361 /nfs/dbraw/zinc/28/63/61/230286361.db2.gz QKMIZUSCHICYEI-JTQLQIEISA-N 1 2 297.359 -1.281 20 0 CAADLO O=C(CC(=O)N[C@H](CO)C[NH+]1CCOCC1)NCC1CC1 ZINC000425298668 230286644 /nfs/dbraw/zinc/28/66/44/230286644.db2.gz XHFDGHHZFXPTRT-LBPRGKRZSA-N 1 2 299.371 -1.288 20 0 CAADLO O=C(CN1CN=NC1=O)N[C@@H](CO)C[NH+]1CCOCC1 ZINC000425296848 230287203 /nfs/dbraw/zinc/28/72/03/230287203.db2.gz TVSJVQLCGQTKSP-SECBINFHSA-N 1 2 285.304 -2.207 20 0 CAADLO C[C@H]1CN(C(=O)C(=O)Nc2ccnn2C)CC[N@@H+]1CCO ZINC000427403265 230291079 /nfs/dbraw/zinc/29/10/79/230291079.db2.gz GAVRATXUCWKEMS-JTQLQIEISA-N 1 2 295.343 -1.116 20 0 CAADLO C[C@H]1CN(C(=O)C(=O)Nc2ccnn2C)CC[N@H+]1CCO ZINC000427403265 230291086 /nfs/dbraw/zinc/29/10/86/230291086.db2.gz GAVRATXUCWKEMS-JTQLQIEISA-N 1 2 295.343 -1.116 20 0 CAADLO C[C@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2cnn(C)c2)CC1 ZINC000427037000 230291763 /nfs/dbraw/zinc/29/17/63/230291763.db2.gz FAHWYJSHONINMX-JTQLQIEISA-N 1 2 295.343 -1.116 20 0 CAADLO C[C@H](O)CN1CC[NH+](Cc2cn(C)c(=O)n(C)c2=O)CC1 ZINC000428422477 230294018 /nfs/dbraw/zinc/29/40/18/230294018.db2.gz RJUDJKWKNXVGNB-NSHDSACASA-N 1 2 296.371 -1.418 20 0 CAADLO Cc1nccc(CNC(=O)CN2CC[NH2+]CC2=O)n1 ZINC000429961177 230301726 /nfs/dbraw/zinc/30/17/26/230301726.db2.gz FXSSXZSDDFZZJD-UHFFFAOYSA-N 1 2 263.301 -1.167 20 0 CAADLO O=C(CN1CC[NH2+]CC1=O)NCCCN1C(=O)CCC1=O ZINC000430111843 230302611 /nfs/dbraw/zinc/30/26/11/230302611.db2.gz VDWKUJBZQLRFRI-UHFFFAOYSA-N 1 2 296.327 -1.927 20 0 CAADLO O=C(CN1CC[NH2+]CC1=O)N1C[C@H]2CC[C@@H](C1)O2 ZINC000430383205 230304068 /nfs/dbraw/zinc/30/40/68/230304068.db2.gz CFSYYYYBOLJNAQ-AOOOYVTPSA-N 1 2 253.302 -1.192 20 0 CAADLO COC[C@@](C)(NC(=O)CN1CC[NH2+]CC1=O)C(=O)OC ZINC000430453721 230304564 /nfs/dbraw/zinc/30/45/64/230304564.db2.gz XMLIOPMNOMRMBV-GFCCVEGCSA-N 1 2 287.316 -1.888 20 0 CAADLO Cn1cc(N2CC[C@H](NC(=O)[C@@H]3COCC[NH2+]3)C2=O)cn1 ZINC000430384340 230305567 /nfs/dbraw/zinc/30/55/67/230305567.db2.gz KNRZUUBOPWFDSL-QWRGUYRKSA-N 1 2 293.327 -1.370 20 0 CAADLO O=C(CN1CC[NH2+]CC1=O)NCCN1C(=O)CCC1=O ZINC000430499888 230309253 /nfs/dbraw/zinc/30/92/53/230309253.db2.gz DHBDHIRQGSFRAK-UHFFFAOYSA-N 1 2 282.300 -2.317 20 0 CAADLO Cn1cccc(NC(=O)CN2CC[NH2+]CC2=O)c1=O ZINC000430546501 230309433 /nfs/dbraw/zinc/30/94/33/230309433.db2.gz XYIJFMIPEHXNRS-UHFFFAOYSA-N 1 2 264.285 -1.244 20 0 CAADLO O=C(CNC(=O)CN1CC[NH2+]CC1=O)Nc1cccnc1 ZINC000430908201 230311245 /nfs/dbraw/zinc/31/12/45/230311245.db2.gz HXBPJOMWNGGDLW-UHFFFAOYSA-N 1 2 291.311 -1.432 20 0 CAADLO C[C@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2ccnn2C)CC1 ZINC000436798343 230323616 /nfs/dbraw/zinc/32/36/16/230323616.db2.gz STINTHZHRMLKAN-JTQLQIEISA-N 1 2 295.343 -1.116 20 0 CAADLO C[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)NCC(=O)N(C)C ZINC000440276551 230326499 /nfs/dbraw/zinc/32/64/99/230326499.db2.gz NIVSYCMXCWJBAO-SECBINFHSA-N 1 2 270.333 -1.647 20 0 CAADLO C[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)NCC(=O)N(C)C ZINC000440276551 230326505 /nfs/dbraw/zinc/32/65/05/230326505.db2.gz NIVSYCMXCWJBAO-SECBINFHSA-N 1 2 270.333 -1.647 20 0 CAADLO C[NH+](C)CCNS(=O)(=O)CCCS(C)(=O)=O ZINC000441360736 230328977 /nfs/dbraw/zinc/32/89/77/230328977.db2.gz RNOKPJDUOMWKSI-UHFFFAOYSA-N 1 2 272.392 -1.098 20 0 CAADLO CN(C)S(=O)(=O)NC[C@](C)(O)C[NH+]1CCOCC1 ZINC000443241169 230333295 /nfs/dbraw/zinc/33/32/95/230333295.db2.gz AHDMQACMUDMYLX-JTQLQIEISA-N 1 2 281.378 -1.534 20 0 CAADLO C[NH+](C)CCN1C[C@H](C(=O)NCc2n[nH]c(=O)[nH]2)CC1=O ZINC000443515582 230333340 /nfs/dbraw/zinc/33/33/40/230333340.db2.gz BRLVOLZGHPYMQG-MRVPVSSYSA-N 1 2 296.331 -1.463 20 0 CAADLO O=C(CN1CN=NC1=O)NCCC[N@@H+]1CCNC(=O)C1 ZINC000444236735 230335089 /nfs/dbraw/zinc/33/50/89/230335089.db2.gz JIEHXIHRHQBGSX-UHFFFAOYSA-N 1 2 282.304 -2.078 20 0 CAADLO O=C(CN1CN=NC1=O)NCCC[N@H+]1CCNC(=O)C1 ZINC000444236735 230335094 /nfs/dbraw/zinc/33/50/94/230335094.db2.gz JIEHXIHRHQBGSX-UHFFFAOYSA-N 1 2 282.304 -2.078 20 0 CAADLO O=C(C[NH+]1C[C@@H](O)[C@H](O)C1)NC(=O)NCC(F)(F)F ZINC000444707901 230338255 /nfs/dbraw/zinc/33/82/55/230338255.db2.gz PWEHPQWFYMJKCU-PHDIDXHHSA-N 1 2 285.222 -1.588 20 0 CAADLO O=S(=O)(NC[C@@H]1C[NH+]2CCN1CC2)[C@@H]1CCOC1 ZINC000446933491 230338754 /nfs/dbraw/zinc/33/87/54/230338754.db2.gz NFPNVIZFUPMMHM-GHMZBOCLSA-N 1 2 275.374 -1.306 20 0 CAADLO CCn1c(N)c(C(=O)C[NH+]2C[C@@H](O)[C@H](O)C2)c(=O)[nH]c1=O ZINC000444712965 230340447 /nfs/dbraw/zinc/34/04/47/230340447.db2.gz XNONSLZZPQNQTH-RNFRBKRXSA-N 1 2 298.299 -2.229 20 0 CAADLO COCCS(=O)(=O)N1CC[N@H+](CCO)C[C@H]1C ZINC000452100288 230346886 /nfs/dbraw/zinc/34/68/86/230346886.db2.gz DUCMVQFTIMCEMG-SNVBAGLBSA-N 1 2 266.363 -1.039 20 0 CAADLO COCCS(=O)(=O)N1CC[N@@H+](CCO)C[C@H]1C ZINC000452100288 230346889 /nfs/dbraw/zinc/34/68/89/230346889.db2.gz DUCMVQFTIMCEMG-SNVBAGLBSA-N 1 2 266.363 -1.039 20 0 CAADLO COCC[NH+]1CCN(C(=O)C(=O)N2CCC[C@H](O)C2)CC1 ZINC000459816693 230351787 /nfs/dbraw/zinc/35/17/87/230351787.db2.gz PCHXFPMVHDOJKS-LBPRGKRZSA-N 1 2 299.371 -1.240 20 0 CAADLO COCC[NH+]1CCN(C(=O)C(=O)N(CCO)C2CC2)CC1 ZINC000459955327 230353937 /nfs/dbraw/zinc/35/39/37/230353937.db2.gz ORSUFKSRBBZROP-UHFFFAOYSA-N 1 2 299.371 -1.240 20 0 CAADLO C[N@@H+]1CCO[C@@H](CNC(=O)c2cncc(=O)[nH]2)C1 ZINC001196163380 782028657 /nfs/dbraw/zinc/02/86/57/782028657.db2.gz ASXKPQJDEDNBKM-QMMMGPOBSA-N 1 2 252.274 -1.170 20 0 CAADLO C[N@H+]1CCO[C@@H](CNC(=O)c2cncc(=O)[nH]2)C1 ZINC001196163380 782028663 /nfs/dbraw/zinc/02/86/63/782028663.db2.gz ASXKPQJDEDNBKM-QMMMGPOBSA-N 1 2 252.274 -1.170 20 0 CAADLO C[C@@H](O)C[NH+]1CCN(C(=O)C(=O)N2CCOC[C@H]2C)CC1 ZINC000460020599 230355213 /nfs/dbraw/zinc/35/52/13/230355213.db2.gz NKWAFZBXIFKIBK-VXGBXAGGSA-N 1 2 299.371 -1.241 20 0 CAADLO O=C(/C=C/c1[nH]cc[nH+]1)NCCN1CCNC(=O)C1 ZINC000493821631 230363354 /nfs/dbraw/zinc/36/33/54/230363354.db2.gz MCWRZPFQRXODGY-OWOJBTEDSA-N 1 2 263.301 -1.029 20 0 CAADLO NS(=O)(=O)CCC[N@@H+]1CCN2C(=O)OC[C@H]2C1 ZINC000493565013 230363391 /nfs/dbraw/zinc/36/33/91/230363391.db2.gz LESPFGLJKXRHKH-MRVPVSSYSA-N 1 2 263.319 -1.199 20 0 CAADLO NS(=O)(=O)CCC[N@H+]1CCN2C(=O)OC[C@H]2C1 ZINC000493565013 230363392 /nfs/dbraw/zinc/36/33/92/230363392.db2.gz LESPFGLJKXRHKH-MRVPVSSYSA-N 1 2 263.319 -1.199 20 0 CAADLO O=C1CNC(=O)N1CC[N@@H+]1CCN2C(=O)OC[C@@H]2C1 ZINC000493564981 230363447 /nfs/dbraw/zinc/36/34/47/230363447.db2.gz KWPHJQILQUEYJK-QMMMGPOBSA-N 1 2 268.273 -1.325 20 0 CAADLO O=C1CNC(=O)N1CC[N@H+]1CCN2C(=O)OC[C@@H]2C1 ZINC000493564981 230363448 /nfs/dbraw/zinc/36/34/48/230363448.db2.gz KWPHJQILQUEYJK-QMMMGPOBSA-N 1 2 268.273 -1.325 20 0 CAADLO C[C@@H](O)C(=O)N1CC[NH+](C[C@H]2CN(C)C(=O)O2)CC1 ZINC000495596487 230363834 /nfs/dbraw/zinc/36/38/34/230363834.db2.gz RQMADNDMNXCONG-NXEZZACHSA-N 1 2 271.317 -1.038 20 0 CAADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@H]1COC(=O)N1 ZINC000495597415 230363911 /nfs/dbraw/zinc/36/39/11/230363911.db2.gz NFPOPJOSHBXLHB-DTWKUNHWSA-N 1 2 257.290 -1.068 20 0 CAADLO NC(CN1CCOCC1)=[NH+]OC[C@H]1CNC(=O)O1 ZINC000495719869 230364041 /nfs/dbraw/zinc/36/40/41/230364041.db2.gz UCAGMVQRKQSXKZ-MRVPVSSYSA-N 1 2 258.278 -1.075 20 0 CAADLO C[C@H]1OC(=O)N[C@@H]1C(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000496206824 230364546 /nfs/dbraw/zinc/36/45/46/230364546.db2.gz OFALJMMMYMBZCF-BDAKNGLRSA-N 1 2 298.343 -1.109 20 0 CAADLO C[C@@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCc2cnn[nH]2)C1 ZINC001196291171 782032435 /nfs/dbraw/zinc/03/24/35/782032435.db2.gz PTDSOFMPDOSVDX-FBIMIBRVSA-N 1 2 283.332 -1.721 20 0 CAADLO C[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCc2cnn[nH]2)C1 ZINC001196291171 782032443 /nfs/dbraw/zinc/03/24/43/782032443.db2.gz PTDSOFMPDOSVDX-FBIMIBRVSA-N 1 2 283.332 -1.721 20 0 CAADLO Cn1ncc(CCC(=O)N[C@@H]2C[N@H+](CCF)C[C@H]2O)n1 ZINC001196234261 782033044 /nfs/dbraw/zinc/03/30/44/782033044.db2.gz DJWIZMNTDXFMEF-GHMZBOCLSA-N 1 2 285.323 -1.122 20 0 CAADLO Cn1ncc(CCC(=O)N[C@@H]2C[N@@H+](CCF)C[C@H]2O)n1 ZINC001196234261 782033052 /nfs/dbraw/zinc/03/30/52/782033052.db2.gz DJWIZMNTDXFMEF-GHMZBOCLSA-N 1 2 285.323 -1.122 20 0 CAADLO O=C(CCc1cnn[nH]1)N[C@@H]1C[N@H+](CCO)C[C@H]1O ZINC001196320615 782033159 /nfs/dbraw/zinc/03/31/59/782033159.db2.gz MSWRATWQWJFCGY-NXEZZACHSA-N 1 2 269.305 -2.109 20 0 CAADLO O=C(CCc1cnn[nH]1)N[C@@H]1C[N@@H+](CCO)C[C@H]1O ZINC001196320615 782033168 /nfs/dbraw/zinc/03/31/68/782033168.db2.gz MSWRATWQWJFCGY-NXEZZACHSA-N 1 2 269.305 -2.109 20 0 CAADLO C[C@H]1C[N@H+](CCNC(=O)Cn2cnnn2)CCO1 ZINC000523054340 260131874 /nfs/dbraw/zinc/13/18/74/260131874.db2.gz QBYDHBUEUOPKTI-VIFPVBQESA-N 1 2 254.294 -1.490 20 0 CAADLO C[C@H]1C[N@@H+](CCNC(=O)Cn2cnnn2)CCO1 ZINC000523054340 260131876 /nfs/dbraw/zinc/13/18/76/260131876.db2.gz QBYDHBUEUOPKTI-VIFPVBQESA-N 1 2 254.294 -1.490 20 0 CAADLO C[C@@H]1CC(=O)N[C@H](C(=O)N[C@@H](CO)C[NH+]2CCOCC2)C1 ZINC000516862208 260193481 /nfs/dbraw/zinc/19/34/81/260193481.db2.gz PBFZZBBTZDAQAG-TUAOUCFPSA-N 1 2 299.371 -1.290 20 0 CAADLO CCC[C@@H]1C(=O)NCCN1C(=O)CN1CC[NH2+]CC1=O ZINC000516648896 262051667 /nfs/dbraw/zinc/05/16/67/262051667.db2.gz BSWIBKWWODDOGG-SNVBAGLBSA-N 1 2 282.344 -1.455 20 0 CAADLO CC(C)c1nnc(CNC(=O)CN2CC[NH2+]CC2=O)n1C ZINC000516649129 262063064 /nfs/dbraw/zinc/06/30/64/262063064.db2.gz JGPIIBFDBFXYTB-UHFFFAOYSA-N 1 2 294.359 -1.014 20 0 CAADLO C[C@H](CC(=O)N[C@@H]1CN(CC(N)=O)C[C@H]1O)n1cc[nH+]c1 ZINC001196499774 782037828 /nfs/dbraw/zinc/03/78/28/782037828.db2.gz QGGXVGGSELRCKG-GMTAPVOTSA-N 1 2 295.343 -1.519 20 0 CAADLO OCCn1cc(NC[C@H](O)C[NH+]2CCOCC2)cn1 ZINC001251007597 782038228 /nfs/dbraw/zinc/03/82/28/782038228.db2.gz WZEGLECMBPSBBS-LBPRGKRZSA-N 1 2 270.333 -1.020 20 0 CAADLO O[C@H](CN1CCn2ncnc2C1)C[NH+]1CCOCC1 ZINC001251002477 782038595 /nfs/dbraw/zinc/03/85/95/782038595.db2.gz KIUNHCKXPLKLPX-NSHDSACASA-N 1 2 267.333 -1.213 20 0 CAADLO C[C@H](CC(N)=O)C(=O)N1CCC[N@H+](CC(N)=O)CC1 ZINC001196752045 782039276 /nfs/dbraw/zinc/03/92/76/782039276.db2.gz BVUUADHTGZEHNW-SECBINFHSA-N 1 2 270.333 -1.483 20 0 CAADLO C[C@H](CC(N)=O)C(=O)N1CCC[N@@H+](CC(N)=O)CC1 ZINC001196752045 782039287 /nfs/dbraw/zinc/03/92/87/782039287.db2.gz BVUUADHTGZEHNW-SECBINFHSA-N 1 2 270.333 -1.483 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CCCN(C(=O)[C@@H](C)CC(N)=O)CC1 ZINC001196752634 782039322 /nfs/dbraw/zinc/03/93/22/782039322.db2.gz GQSUYEHANBVVNU-VHSXEESVSA-N 1 2 284.360 -1.094 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CCCN(C(=O)[C@@H](C)CC(N)=O)CC1 ZINC001196752634 782039311 /nfs/dbraw/zinc/03/93/11/782039311.db2.gz GQSUYEHANBVVNU-VHSXEESVSA-N 1 2 284.360 -1.094 20 0 CAADLO NC(=O)c1nc(CNC[C@H](O)C[NH+]2CCOCC2)no1 ZINC001251038607 782039429 /nfs/dbraw/zinc/03/94/29/782039429.db2.gz YXWFQESMVOUPJT-QMMMGPOBSA-N 1 2 285.304 -2.049 20 0 CAADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H]2CCNC2=O)CC1 ZINC001196724433 782039520 /nfs/dbraw/zinc/03/95/20/782039520.db2.gz JRYGNBZVZQNNDL-NSHDSACASA-N 1 2 296.371 -1.207 20 0 CAADLO CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H]2CCNC2=O)CC1 ZINC001196724433 782039527 /nfs/dbraw/zinc/03/95/27/782039527.db2.gz JRYGNBZVZQNNDL-NSHDSACASA-N 1 2 296.371 -1.207 20 0 CAADLO CNC(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC(=O)N(C)C)C1 ZINC001196733343 782040005 /nfs/dbraw/zinc/04/00/05/782040005.db2.gz UFVPFCBXMOVQGN-RKDXNWHRSA-N 1 2 286.332 -2.628 20 0 CAADLO CNC(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CC(=O)N(C)C)C1 ZINC001196733343 782040013 /nfs/dbraw/zinc/04/00/13/782040013.db2.gz UFVPFCBXMOVQGN-RKDXNWHRSA-N 1 2 286.332 -2.628 20 0 CAADLO CNC(=O)C[N@@H+]1CCCN(C(=O)[C@H](C)CC(N)=O)CC1 ZINC001196752011 782040444 /nfs/dbraw/zinc/04/04/44/782040444.db2.gz AYCYYOGXQKIYGR-SNVBAGLBSA-N 1 2 284.360 -1.222 20 0 CAADLO CNC(=O)C[N@H+]1CCCN(C(=O)[C@H](C)CC(N)=O)CC1 ZINC001196752011 782040455 /nfs/dbraw/zinc/04/04/55/782040455.db2.gz AYCYYOGXQKIYGR-SNVBAGLBSA-N 1 2 284.360 -1.222 20 0 CAADLO CNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H](C)CC(N)=O)CC1 ZINC001196752007 782040822 /nfs/dbraw/zinc/04/08/22/782040822.db2.gz AYCYYOGXQKIYGR-JTQLQIEISA-N 1 2 284.360 -1.222 20 0 CAADLO CNC(=O)C[N@H+]1CCCN(C(=O)[C@@H](C)CC(N)=O)CC1 ZINC001196752007 782040829 /nfs/dbraw/zinc/04/08/29/782040829.db2.gz AYCYYOGXQKIYGR-JTQLQIEISA-N 1 2 284.360 -1.222 20 0 CAADLO CNS(=O)(=O)[C@@H]1CCC[N@@H+]([C@H]2CCNC2=O)C1 ZINC000532708039 269096095 /nfs/dbraw/zinc/09/60/95/269096095.db2.gz NRTSOPRSNUSFPM-BDAKNGLRSA-N 1 2 261.347 -1.112 20 0 CAADLO CNS(=O)(=O)[C@@H]1CCC[N@H+]([C@H]2CCNC2=O)C1 ZINC000532708039 269096096 /nfs/dbraw/zinc/09/60/96/269096096.db2.gz NRTSOPRSNUSFPM-BDAKNGLRSA-N 1 2 261.347 -1.112 20 0 CAADLO C[C@@H](c1nnnn1C)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000189527996 269086349 /nfs/dbraw/zinc/08/63/49/269086349.db2.gz IRAYRCOUYDXAPM-QWRGUYRKSA-N 1 2 284.364 -1.104 20 0 CAADLO CNC(=O)CNC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000193121976 269086424 /nfs/dbraw/zinc/08/64/24/269086424.db2.gz HFFDTUWIQBBPCA-VIFPVBQESA-N 1 2 258.322 -1.248 20 0 CAADLO CNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](CO)C1 ZINC000230014726 269086482 /nfs/dbraw/zinc/08/64/82/269086482.db2.gz XFVSTHBBUASMAM-HRDYMLBCSA-N 1 2 259.306 -1.088 20 0 CAADLO CNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](CO)C1 ZINC000230014726 269086483 /nfs/dbraw/zinc/08/64/83/269086483.db2.gz XFVSTHBBUASMAM-HRDYMLBCSA-N 1 2 259.306 -1.088 20 0 CAADLO CC(C)NC(=O)CN(C)C(=O)CN1CC[NH2+]CC1=O ZINC000236636635 269086742 /nfs/dbraw/zinc/08/67/42/269086742.db2.gz QPXJSFUIAJOOBK-UHFFFAOYSA-N 1 2 270.333 -1.599 20 0 CAADLO CC(C)NC(=O)CCNC(=O)CN1CC[NH2+]CC1=O ZINC000236633040 269086795 /nfs/dbraw/zinc/08/67/95/269086795.db2.gz FAEVNUABLUVNMX-UHFFFAOYSA-N 1 2 270.333 -1.551 20 0 CAADLO O=C(CN1CC[NH2+]CC1=O)NCCN1CCOCC1 ZINC000238106752 269087023 /nfs/dbraw/zinc/08/70/23/269087023.db2.gz FMCNRLPRIFJILG-UHFFFAOYSA-N 1 2 270.333 -2.133 20 0 CAADLO O=C(CN1CC[NH2+]CC1=O)N[C@H]1CCc2n[nH]cc2C1 ZINC000238116060 269087128 /nfs/dbraw/zinc/08/71/28/269087128.db2.gz BODLYRPQLUUDHR-JTQLQIEISA-N 1 2 277.328 -1.185 20 0 CAADLO CC(C)N1CC[C@H](NC(=O)CN2CC[NH2+]CC2=O)C1=O ZINC000236831385 269087245 /nfs/dbraw/zinc/08/72/45/269087245.db2.gz GKTBJANDJLZWCH-JTQLQIEISA-N 1 2 282.344 -1.456 20 0 CAADLO CC(C)CN(CC(N)=O)C(=O)CN1CC[NH2+]CC1=O ZINC000236652975 269087257 /nfs/dbraw/zinc/08/72/57/269087257.db2.gz LMYJBOKGGIUQHQ-UHFFFAOYSA-N 1 2 270.333 -1.612 20 0 CAADLO CNC(=O)[C@H](C)CN(C)C(=O)CN1CC[NH2+]CC1=O ZINC000237154150 269087270 /nfs/dbraw/zinc/08/72/70/269087270.db2.gz UYKHFHLWORRPKJ-SECBINFHSA-N 1 2 270.333 -1.741 20 0 CAADLO CC(C)c1nncn1CCNC(=O)CN1CC[NH2+]CC1=O ZINC000236860460 269087280 /nfs/dbraw/zinc/08/72/80/269087280.db2.gz KTVRMGHCSMXKEQ-UHFFFAOYSA-N 1 2 294.359 -1.051 20 0 CAADLO CN(C[C@@H]1CCOC1)C(=O)CN1CC[NH2+]CC1=O ZINC000237230714 269087300 /nfs/dbraw/zinc/08/73/00/269087300.db2.gz PJNGTZROWWYWSC-JTQLQIEISA-N 1 2 255.318 -1.087 20 0 CAADLO CCN(CC)C(=O)CN(C)C(=O)CN1CC[NH2+]CC1=O ZINC000237023841 269087369 /nfs/dbraw/zinc/08/73/69/269087369.db2.gz RCEFZNCIWVVVRT-UHFFFAOYSA-N 1 2 284.360 -1.255 20 0 CAADLO O=C(CN1CC[NH2+]CC1=O)N1CC(=O)N[C@@H]2CCCC[C@@H]21 ZINC000238121485 269087575 /nfs/dbraw/zinc/08/75/75/269087575.db2.gz JCORJLJXJJEOIZ-MNOVXSKESA-N 1 2 294.355 -1.312 20 0 CAADLO C[C@@H](CNC(=O)CN1CC[NH2+]CC1=O)N1CCOCC1 ZINC000237544355 269087596 /nfs/dbraw/zinc/08/75/96/269087596.db2.gz GJCFUHBZMLHSQQ-NSHDSACASA-N 1 2 284.360 -1.745 20 0 CAADLO O=C(CN1CC[NH2+]CC1=O)N1CC(=O)N[C@H]2CCCC[C@@H]21 ZINC000238121456 269087670 /nfs/dbraw/zinc/08/76/70/269087670.db2.gz JCORJLJXJJEOIZ-QWRGUYRKSA-N 1 2 294.355 -1.312 20 0 CAADLO Cn1cnn(CCC(=O)NCC[NH+]2CCOCC2)c1=O ZINC000517042822 269088735 /nfs/dbraw/zinc/08/87/35/269088735.db2.gz CZFWYUXYKSLGFN-UHFFFAOYSA-N 1 2 283.332 -1.580 20 0 CAADLO CNC(=O)CCCN(C)C(=O)CN1CC[NH2+]CC1=O ZINC000517366849 269089051 /nfs/dbraw/zinc/08/90/51/269089051.db2.gz AQFAROQTAHKTMO-UHFFFAOYSA-N 1 2 270.333 -1.597 20 0 CAADLO CN1CCC[C@H](C(=O)N[C@@H](CO)C[NH+]2CCOCC2)C1=O ZINC000519596990 269089624 /nfs/dbraw/zinc/08/96/24/269089624.db2.gz YDGIKVSIRICPIO-VXGBXAGGSA-N 1 2 299.371 -1.336 20 0 CAADLO CN1CCC[C@H](C(=O)N[C@H](CO)C[NH+]2CCOCC2)C1=O ZINC000519596986 269089714 /nfs/dbraw/zinc/08/97/14/269089714.db2.gz YDGIKVSIRICPIO-NWDGAFQWSA-N 1 2 299.371 -1.336 20 0 CAADLO CCNC(=O)C[NH+]1CCN(c2nnnn2C)CC1 ZINC000524538496 269090154 /nfs/dbraw/zinc/09/01/54/269090154.db2.gz DDPLMWMUUCYHTC-UHFFFAOYSA-N 1 2 253.310 -1.532 20 0 CAADLO CN1C(=O)C[C@H]([N@@H+]2CC[C@@H](NS(C)(=O)=O)C2)C1=O ZINC000522628606 269090212 /nfs/dbraw/zinc/09/02/12/269090212.db2.gz ULWXXOHLZBSZET-SFYZADRCSA-N 1 2 275.330 -1.633 20 0 CAADLO CN1C(=O)C[C@H]([N@H+]2CC[C@@H](NS(C)(=O)=O)C2)C1=O ZINC000522628606 269090213 /nfs/dbraw/zinc/09/02/13/269090213.db2.gz ULWXXOHLZBSZET-SFYZADRCSA-N 1 2 275.330 -1.633 20 0 CAADLO C[C@H]1C[N@H+](CCNC(=O)Cn2ccc(=O)[nH]c2=O)CCO1 ZINC000522267842 269090328 /nfs/dbraw/zinc/09/03/28/269090328.db2.gz XXHUMAOLWONMJF-JTQLQIEISA-N 1 2 296.327 -1.214 20 0 CAADLO C[C@H]1C[N@@H+](CCNC(=O)Cn2ccc(=O)[nH]c2=O)CCO1 ZINC000522267842 269090331 /nfs/dbraw/zinc/09/03/31/269090331.db2.gz XXHUMAOLWONMJF-JTQLQIEISA-N 1 2 296.327 -1.214 20 0 CAADLO C[C@H]1C[N@H+](CCNC(=O)CN(C)S(C)(=O)=O)CCO1 ZINC000523437887 269090366 /nfs/dbraw/zinc/09/03/66/269090366.db2.gz OZSBBDDRWGIPIS-JTQLQIEISA-N 1 2 293.389 -1.285 20 0 CAADLO C[C@H]1C[N@@H+](CCNC(=O)CN(C)S(C)(=O)=O)CCO1 ZINC000523437887 269090367 /nfs/dbraw/zinc/09/03/67/269090367.db2.gz OZSBBDDRWGIPIS-JTQLQIEISA-N 1 2 293.389 -1.285 20 0 CAADLO C[C@H]1C[N@H+](CCNC(=O)CN2C(=O)CN(C)C2=O)CCO1 ZINC000523058535 269090482 /nfs/dbraw/zinc/09/04/82/269090482.db2.gz TZTABKSXHIYSEW-JTQLQIEISA-N 1 2 298.343 -1.283 20 0 CAADLO C[C@H]1C[N@@H+](CCNC(=O)CN2C(=O)CN(C)C2=O)CCO1 ZINC000523058535 269090483 /nfs/dbraw/zinc/09/04/83/269090483.db2.gz TZTABKSXHIYSEW-JTQLQIEISA-N 1 2 298.343 -1.283 20 0 CAADLO C[C@@H]1C[N@H+](CCNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)CCO1 ZINC000526991200 269090630 /nfs/dbraw/zinc/09/06/30/269090630.db2.gz PSTLDESRXWPTCH-OUAUKWLOSA-N 1 2 285.344 -1.144 20 0 CAADLO C[C@@H]1C[N@@H+](CCNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)CCO1 ZINC000526991200 269090631 /nfs/dbraw/zinc/09/06/31/269090631.db2.gz PSTLDESRXWPTCH-OUAUKWLOSA-N 1 2 285.344 -1.144 20 0 CAADLO C[C@@H]1C[N@H+](CCNC(=O)[C@@H]2CC[C@H](C(N)=O)O2)CCO1 ZINC000526991199 269090873 /nfs/dbraw/zinc/09/08/73/269090873.db2.gz PSTLDESRXWPTCH-MXWKQRLJSA-N 1 2 285.344 -1.144 20 0 CAADLO C[C@@H]1C[N@@H+](CCNC(=O)[C@@H]2CC[C@H](C(N)=O)O2)CCO1 ZINC000526991199 269090875 /nfs/dbraw/zinc/09/08/75/269090875.db2.gz PSTLDESRXWPTCH-MXWKQRLJSA-N 1 2 285.344 -1.144 20 0 CAADLO Cn1cc(C[C@H](O)C(=O)NC[C@H]2C[NH+]3CCN2CC3)cn1 ZINC000527313256 269091226 /nfs/dbraw/zinc/09/12/26/269091226.db2.gz IUVINROHDAVOEK-STQMWFEESA-N 1 2 293.371 -1.561 20 0 CAADLO CNC(=O)NC[C@@H]1C[N@H+](C[C@@H](O)Cn2cccn2)CCO1 ZINC000528621551 269091370 /nfs/dbraw/zinc/09/13/70/269091370.db2.gz FIGHYSBUAPONOU-VXGBXAGGSA-N 1 2 297.359 -1.126 20 0 CAADLO CNC(=O)NC[C@@H]1C[N@@H+](C[C@@H](O)Cn2cccn2)CCO1 ZINC000528621551 269091372 /nfs/dbraw/zinc/09/13/72/269091372.db2.gz FIGHYSBUAPONOU-VXGBXAGGSA-N 1 2 297.359 -1.126 20 0 CAADLO CNC(=O)NC[C@@H]1C[N@H+](C[C@H](O)Cn2cccn2)CCO1 ZINC000528621545 269091658 /nfs/dbraw/zinc/09/16/58/269091658.db2.gz FIGHYSBUAPONOU-NWDGAFQWSA-N 1 2 297.359 -1.126 20 0 CAADLO CNC(=O)NC[C@@H]1C[N@@H+](C[C@H](O)Cn2cccn2)CCO1 ZINC000528621545 269091660 /nfs/dbraw/zinc/09/16/60/269091660.db2.gz FIGHYSBUAPONOU-NWDGAFQWSA-N 1 2 297.359 -1.126 20 0 CAADLO C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNS(N)(=O)=O ZINC000528481012 269091863 /nfs/dbraw/zinc/09/18/63/269091863.db2.gz JZDSXGVNOPJEMX-JTQLQIEISA-N 1 2 279.362 -1.605 20 0 CAADLO C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNS(N)(=O)=O ZINC000528481012 269091864 /nfs/dbraw/zinc/09/18/64/269091864.db2.gz JZDSXGVNOPJEMX-JTQLQIEISA-N 1 2 279.362 -1.605 20 0 CAADLO CC(C)N1CC[C@@H]([N@@H+]2C[C@H](O)C[C@H]2C(N)=O)C1=O ZINC000528633950 269092361 /nfs/dbraw/zinc/09/23/61/269092361.db2.gz JLTDAHFHHOLFMV-BBBLOLIVSA-N 1 2 255.318 -1.084 20 0 CAADLO CC(C)N1CC[C@@H]([N@H+]2C[C@H](O)C[C@H]2C(N)=O)C1=O ZINC000528633950 269092364 /nfs/dbraw/zinc/09/23/64/269092364.db2.gz JLTDAHFHHOLFMV-BBBLOLIVSA-N 1 2 255.318 -1.084 20 0 CAADLO CNC(=O)NC[C@@H]1C[N@H+](C[C@@](C)(O)C(C)=O)CCO1 ZINC000528625440 269092862 /nfs/dbraw/zinc/09/28/62/269092862.db2.gz YMANSGRZTFEZPN-ZYHUDNBSSA-N 1 2 273.333 -1.044 20 0 CAADLO CNC(=O)NC[C@@H]1C[N@@H+](C[C@@](C)(O)C(C)=O)CCO1 ZINC000528625440 269092863 /nfs/dbraw/zinc/09/28/63/269092863.db2.gz YMANSGRZTFEZPN-ZYHUDNBSSA-N 1 2 273.333 -1.044 20 0 CAADLO O=C1C[C@H]([N@@H+]2CCN3C(=O)NC[C@@H]3C2)C(=O)N1C1CC1 ZINC000531444014 269095215 /nfs/dbraw/zinc/09/52/15/269095215.db2.gz ZDUXIUROGZCSEY-ZJUUUORDSA-N 1 2 278.312 -1.014 20 0 CAADLO O=C1C[C@H]([N@H+]2CCN3C(=O)NC[C@@H]3C2)C(=O)N1C1CC1 ZINC000531444014 269095217 /nfs/dbraw/zinc/09/52/17/269095217.db2.gz ZDUXIUROGZCSEY-ZJUUUORDSA-N 1 2 278.312 -1.014 20 0 CAADLO CN1C(=O)C[C@H]([N@@H+]2CCN3C(=O)NC[C@@H]3C2)C1=O ZINC000531443094 269095431 /nfs/dbraw/zinc/09/54/31/269095431.db2.gz BIJQEPGRHCBNQI-SFYZADRCSA-N 1 2 252.274 -1.547 20 0 CAADLO CN1C(=O)C[C@H]([N@H+]2CCN3C(=O)NC[C@@H]3C2)C1=O ZINC000531443094 269095432 /nfs/dbraw/zinc/09/54/32/269095432.db2.gz BIJQEPGRHCBNQI-SFYZADRCSA-N 1 2 252.274 -1.547 20 0 CAADLO CNS(=O)(=O)CC(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000530963685 269095445 /nfs/dbraw/zinc/09/54/45/269095445.db2.gz IRXVXHFAUDPMIG-VIFPVBQESA-N 1 2 279.362 -1.628 20 0 CAADLO CNS(=O)(=O)CC(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000530963685 269095446 /nfs/dbraw/zinc/09/54/46/269095446.db2.gz IRXVXHFAUDPMIG-VIFPVBQESA-N 1 2 279.362 -1.628 20 0 CAADLO COCC[N@H+](CCN1CCCS1(=O)=O)[C@H](C)C(N)=O ZINC000532607484 269095620 /nfs/dbraw/zinc/09/56/20/269095620.db2.gz NWLDTLZBOHXJLU-SNVBAGLBSA-N 1 2 293.389 -1.156 20 0 CAADLO COCC[N@@H+](CCN1CCCS1(=O)=O)[C@H](C)C(N)=O ZINC000532607484 269095622 /nfs/dbraw/zinc/09/56/22/269095622.db2.gz NWLDTLZBOHXJLU-SNVBAGLBSA-N 1 2 293.389 -1.156 20 0 CAADLO O=C1NC[C@@H]2C[N@H+](CCOC[C@@H]3CCCO3)CCN2C1=O ZINC000532223743 269095884 /nfs/dbraw/zinc/09/58/84/269095884.db2.gz ZDWXTYUNAGUMAL-NEPJUHHUSA-N 1 2 297.355 -1.175 20 0 CAADLO O=C1NC[C@@H]2C[N@@H+](CCOC[C@@H]3CCCO3)CCN2C1=O ZINC000532223743 269095885 /nfs/dbraw/zinc/09/58/85/269095885.db2.gz ZDWXTYUNAGUMAL-NEPJUHHUSA-N 1 2 297.355 -1.175 20 0 CAADLO CNS(=O)(=O)[C@H]1CCC[N@@H+]([C@H]2CCNC2=O)C1 ZINC000532708041 269096073 /nfs/dbraw/zinc/09/60/73/269096073.db2.gz NRTSOPRSNUSFPM-IUCAKERBSA-N 1 2 261.347 -1.112 20 0 CAADLO CNS(=O)(=O)[C@H]1CCC[N@H+]([C@H]2CCNC2=O)C1 ZINC000532708041 269096075 /nfs/dbraw/zinc/09/60/75/269096075.db2.gz NRTSOPRSNUSFPM-IUCAKERBSA-N 1 2 261.347 -1.112 20 0 CAADLO CNC(=O)NC(=O)C[N@@H+]1CC[C@@H](S(=O)(=O)NC)C1 ZINC000533086573 269096078 /nfs/dbraw/zinc/09/60/78/269096078.db2.gz CUYNMTDURSGIGZ-SSDOTTSWSA-N 1 2 278.334 -1.935 20 0 CAADLO CNC(=O)NC(=O)C[N@H+]1CC[C@@H](S(=O)(=O)NC)C1 ZINC000533086573 269096079 /nfs/dbraw/zinc/09/60/79/269096079.db2.gz CUYNMTDURSGIGZ-SSDOTTSWSA-N 1 2 278.334 -1.935 20 0 CAADLO CNS(=O)(=O)[C@@H]1CCC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC000532708042 269096103 /nfs/dbraw/zinc/09/61/03/269096103.db2.gz NRTSOPRSNUSFPM-RKDXNWHRSA-N 1 2 261.347 -1.112 20 0 CAADLO CNS(=O)(=O)[C@@H]1CCC[N@H+]([C@@H]2CCNC2=O)C1 ZINC000532708042 269096105 /nfs/dbraw/zinc/09/61/05/269096105.db2.gz NRTSOPRSNUSFPM-RKDXNWHRSA-N 1 2 261.347 -1.112 20 0 CAADLO CNS(=O)(=O)[C@@H]1CC[N@@H+]([C@H]2CCCNC2=O)C1 ZINC000533087127 269096152 /nfs/dbraw/zinc/09/61/52/269096152.db2.gz XXMVNFJGYNLMBC-BDAKNGLRSA-N 1 2 261.347 -1.112 20 0 CAADLO CNS(=O)(=O)[C@@H]1CC[N@H+]([C@H]2CCCNC2=O)C1 ZINC000533087127 269096153 /nfs/dbraw/zinc/09/61/53/269096153.db2.gz XXMVNFJGYNLMBC-BDAKNGLRSA-N 1 2 261.347 -1.112 20 0 CAADLO CNS(=O)(=O)[C@@H]1CC[N@@H+]([C@H](C)C(=O)NC(N)=O)C1 ZINC000533086919 269096156 /nfs/dbraw/zinc/09/61/56/269096156.db2.gz FDOYHGHOQGUJFM-RNFRBKRXSA-N 1 2 278.334 -1.807 20 0 CAADLO CNS(=O)(=O)[C@@H]1CC[N@H+]([C@H](C)C(=O)NC(N)=O)C1 ZINC000533086919 269096158 /nfs/dbraw/zinc/09/61/58/269096158.db2.gz FDOYHGHOQGUJFM-RNFRBKRXSA-N 1 2 278.334 -1.807 20 0 CAADLO O=C(CN1CCCNC1=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000533019049 269096226 /nfs/dbraw/zinc/09/62/26/269096226.db2.gz QKEATMPMGIQOFT-NSHDSACASA-N 1 2 281.360 -1.482 20 0 CAADLO COC(=O)CNC(=O)C[N@@H+]1CCC[C@@H](N2CCNC2=O)C1 ZINC000532662047 269096261 /nfs/dbraw/zinc/09/62/61/269096261.db2.gz CKMLVTJIYHKJTG-SNVBAGLBSA-N 1 2 298.343 -1.235 20 0 CAADLO COC(=O)CNC(=O)C[N@H+]1CCC[C@@H](N2CCNC2=O)C1 ZINC000532662047 269096262 /nfs/dbraw/zinc/09/62/62/269096262.db2.gz CKMLVTJIYHKJTG-SNVBAGLBSA-N 1 2 298.343 -1.235 20 0 CAADLO CNS(=O)(=O)[C@H]1CC[N@@H+]([C@@H](C)C(=O)NC(N)=O)C1 ZINC000533086917 269096270 /nfs/dbraw/zinc/09/62/70/269096270.db2.gz FDOYHGHOQGUJFM-BQBZGAKWSA-N 1 2 278.334 -1.807 20 0 CAADLO CNS(=O)(=O)[C@H]1CC[N@H+]([C@@H](C)C(=O)NC(N)=O)C1 ZINC000533086917 269096271 /nfs/dbraw/zinc/09/62/71/269096271.db2.gz FDOYHGHOQGUJFM-BQBZGAKWSA-N 1 2 278.334 -1.807 20 0 CAADLO CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCS(C)(=O)=O)C1 ZINC001196877062 782042317 /nfs/dbraw/zinc/04/23/17/782042317.db2.gz VYRYOMHCCNSMSC-NXEZZACHSA-N 1 2 278.374 -1.008 20 0 CAADLO CC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCS(C)(=O)=O)C1 ZINC001196877062 782042324 /nfs/dbraw/zinc/04/23/24/782042324.db2.gz VYRYOMHCCNSMSC-NXEZZACHSA-N 1 2 278.374 -1.008 20 0 CAADLO C[C@@H](CC(N)=O)C(=O)N1CCC[N@@H+]([C@H]2CCNC2=O)CC1 ZINC001196753114 782042559 /nfs/dbraw/zinc/04/25/59/782042559.db2.gz KRJCUSRCWOXGPB-QWRGUYRKSA-N 1 2 296.371 -1.079 20 0 CAADLO C[C@@H](CC(N)=O)C(=O)N1CCC[N@H+]([C@H]2CCNC2=O)CC1 ZINC001196753114 782042564 /nfs/dbraw/zinc/04/25/64/782042564.db2.gz KRJCUSRCWOXGPB-QWRGUYRKSA-N 1 2 296.371 -1.079 20 0 CAADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)C2(C(N)=O)CC2)CC1 ZINC001196977043 782044096 /nfs/dbraw/zinc/04/40/96/782044096.db2.gz JASWOUYDRQHIKX-UHFFFAOYSA-N 1 2 296.371 -1.078 20 0 CAADLO CCNC(=O)C[N@H+]1CCCN(C(=O)C2(C(N)=O)CC2)CC1 ZINC001196977043 782044103 /nfs/dbraw/zinc/04/41/03/782044103.db2.gz JASWOUYDRQHIKX-UHFFFAOYSA-N 1 2 296.371 -1.078 20 0 CAADLO COCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2nc[nH]n2)C1 ZINC001197034481 782045622 /nfs/dbraw/zinc/04/56/22/782045622.db2.gz PIEMBADRZZNACM-RKDXNWHRSA-N 1 2 269.305 -1.384 20 0 CAADLO COCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2nc[nH]n2)C1 ZINC001197034481 782045630 /nfs/dbraw/zinc/04/56/30/782045630.db2.gz PIEMBADRZZNACM-RKDXNWHRSA-N 1 2 269.305 -1.384 20 0 CAADLO CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2nnc[nH]2)C1 ZINC001197034085 782046106 /nfs/dbraw/zinc/04/61/06/782046106.db2.gz FGTNMIJWTBDPEW-RKDXNWHRSA-N 1 2 269.305 -1.384 20 0 CAADLO CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2nnc[nH]2)C1 ZINC001197034085 782046117 /nfs/dbraw/zinc/04/61/17/782046117.db2.gz FGTNMIJWTBDPEW-RKDXNWHRSA-N 1 2 269.305 -1.384 20 0 CAADLO CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ncn[nH]2)C1 ZINC001197034085 782046129 /nfs/dbraw/zinc/04/61/29/782046129.db2.gz FGTNMIJWTBDPEW-RKDXNWHRSA-N 1 2 269.305 -1.384 20 0 CAADLO CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ncn[nH]2)C1 ZINC001197034085 782046140 /nfs/dbraw/zinc/04/61/40/782046140.db2.gz FGTNMIJWTBDPEW-RKDXNWHRSA-N 1 2 269.305 -1.384 20 0 CAADLO CNC(=O)C[N@@H+]1CCCN(C(=O)[C@H](COC)OC)CC1 ZINC001197082486 782047624 /nfs/dbraw/zinc/04/76/24/782047624.db2.gz FULSTHPCQQMNQC-NSHDSACASA-N 1 2 287.360 -1.072 20 0 CAADLO CNC(=O)C[N@H+]1CCCN(C(=O)[C@H](COC)OC)CC1 ZINC001197082486 782047627 /nfs/dbraw/zinc/04/76/27/782047627.db2.gz FULSTHPCQQMNQC-NSHDSACASA-N 1 2 287.360 -1.072 20 0 CAADLO NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCn1ccnn1)C2 ZINC001110489319 782049309 /nfs/dbraw/zinc/04/93/09/782049309.db2.gz HSSHZKXIHOOKKL-MXWKQRLJSA-N 1 2 292.343 -1.125 20 0 CAADLO NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCn1ccnn1)C2 ZINC001110489319 782049319 /nfs/dbraw/zinc/04/93/19/782049319.db2.gz HSSHZKXIHOOKKL-MXWKQRLJSA-N 1 2 292.343 -1.125 20 0 CAADLO CC[C@@H](NC(C)=O)C(=O)N1CCC[N@@H+](CC(N)=O)CC1 ZINC001197226348 782049746 /nfs/dbraw/zinc/04/97/46/782049746.db2.gz CKXLJCYPUHCOGU-LLVKDONJSA-N 1 2 284.360 -1.079 20 0 CAADLO CC[C@@H](NC(C)=O)C(=O)N1CCC[N@H+](CC(N)=O)CC1 ZINC001197226348 782049738 /nfs/dbraw/zinc/04/97/38/782049738.db2.gz CKXLJCYPUHCOGU-LLVKDONJSA-N 1 2 284.360 -1.079 20 0 CAADLO COC(=O)CNC(=S)NC[C@H]1C[N@@H+](C)CCO1 ZINC001197202477 782049893 /nfs/dbraw/zinc/04/98/93/782049893.db2.gz PMJKEHVZKKCLIQ-QMMMGPOBSA-N 1 2 261.347 -1.046 20 0 CAADLO COC(=O)CNC(=S)NC[C@H]1C[N@H+](C)CCO1 ZINC001197202477 782049885 /nfs/dbraw/zinc/04/98/85/782049885.db2.gz PMJKEHVZKKCLIQ-QMMMGPOBSA-N 1 2 261.347 -1.046 20 0 CAADLO COC(=O)CNC(=O)C[N@@H+]1CC[C@H](C)C[C@@H]1C(N)=O ZINC000426212865 277062900 /nfs/dbraw/zinc/06/29/00/277062900.db2.gz AIRDDJVJYLAEMH-DTWKUNHWSA-N 1 2 271.317 -1.139 20 0 CAADLO COC(=O)CNC(=O)C[N@H+]1CC[C@H](C)C[C@@H]1C(N)=O ZINC000426212865 277062902 /nfs/dbraw/zinc/06/29/02/277062902.db2.gz AIRDDJVJYLAEMH-DTWKUNHWSA-N 1 2 271.317 -1.139 20 0 CAADLO COC(=O)CNC(=O)C[N@@H+]1CC[C@H](C)C[C@H]1C(N)=O ZINC000426212866 277062984 /nfs/dbraw/zinc/06/29/84/277062984.db2.gz AIRDDJVJYLAEMH-IUCAKERBSA-N 1 2 271.317 -1.139 20 0 CAADLO COC(=O)CNC(=O)C[N@H+]1CC[C@H](C)C[C@H]1C(N)=O ZINC000426212866 277062986 /nfs/dbraw/zinc/06/29/86/277062986.db2.gz AIRDDJVJYLAEMH-IUCAKERBSA-N 1 2 271.317 -1.139 20 0 CAADLO Cn1c(CN2C[C@H]3OCC[N@H+](C)[C@@H]3C2)cc(=O)n(C)c1=O ZINC000328605323 277123978 /nfs/dbraw/zinc/12/39/78/277123978.db2.gz JKLBTUXINGSMMZ-VXGBXAGGSA-N 1 2 294.355 -1.401 20 0 CAADLO Cn1c(CN2C[C@H]3OCC[N@@H+](C)[C@@H]3C2)cc(=O)n(C)c1=O ZINC000328605323 277123979 /nfs/dbraw/zinc/12/39/79/277123979.db2.gz JKLBTUXINGSMMZ-VXGBXAGGSA-N 1 2 294.355 -1.401 20 0 CAADLO Cn1c(CN2C[C@@H]3OCC[N@H+](C)[C@H]3C2)cc(=O)n(C)c1=O ZINC000328605322 277131023 /nfs/dbraw/zinc/13/10/23/277131023.db2.gz JKLBTUXINGSMMZ-RYUDHWBXSA-N 1 2 294.355 -1.401 20 0 CAADLO Cn1c(CN2C[C@@H]3OCC[N@@H+](C)[C@H]3C2)cc(=O)n(C)c1=O ZINC000328605322 277131024 /nfs/dbraw/zinc/13/10/24/277131024.db2.gz JKLBTUXINGSMMZ-RYUDHWBXSA-N 1 2 294.355 -1.401 20 0 CAADLO Cn1c(CN2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)cc(=O)n(C)c1=O ZINC000328605320 277131220 /nfs/dbraw/zinc/13/12/20/277131220.db2.gz JKLBTUXINGSMMZ-NEPJUHHUSA-N 1 2 294.355 -1.401 20 0 CAADLO Cn1c(CN2C[C@@H]3[C@H](C2)OCC[N@H+]3C)cc(=O)n(C)c1=O ZINC000328605320 277131221 /nfs/dbraw/zinc/13/12/21/277131221.db2.gz JKLBTUXINGSMMZ-NEPJUHHUSA-N 1 2 294.355 -1.401 20 0 CAADLO COC(=O)[C@H]1C[C@@H](O)C[N@@H+]1CCCS(=O)(=O)N(C)C ZINC000352044923 277138383 /nfs/dbraw/zinc/13/83/83/277138383.db2.gz MFVGVSSGXUKQLP-NXEZZACHSA-N 1 2 294.373 -1.124 20 0 CAADLO COC(=O)[C@H]1C[C@@H](O)C[N@H+]1CCCS(=O)(=O)N(C)C ZINC000352044923 277138384 /nfs/dbraw/zinc/13/83/84/277138384.db2.gz MFVGVSSGXUKQLP-NXEZZACHSA-N 1 2 294.373 -1.124 20 0 CAADLO CO[C@@H]1C[N@H+](CC(=O)N2CCNC(=O)C2)C[C@@H]1OC ZINC000408360433 277299441 /nfs/dbraw/zinc/29/94/41/277299441.db2.gz UITWDJRDAKJSFO-AOOOYVTPSA-N 1 2 271.317 -1.710 20 0 CAADLO CO[C@@H]1C[N@@H+](CC(=O)N2CCNC(=O)C2)C[C@@H]1OC ZINC000408360433 277299442 /nfs/dbraw/zinc/29/94/42/277299442.db2.gz UITWDJRDAKJSFO-AOOOYVTPSA-N 1 2 271.317 -1.710 20 0 CAADLO COC(=O)CNC(=O)C[N@@H+]1CC[C@@H](C)C[C@H]1C(N)=O ZINC000426212864 277322588 /nfs/dbraw/zinc/32/25/88/277322588.db2.gz AIRDDJVJYLAEMH-BDAKNGLRSA-N 1 2 271.317 -1.139 20 0 CAADLO COC(=O)CNC(=O)C[N@H+]1CC[C@@H](C)C[C@H]1C(N)=O ZINC000426212864 277322589 /nfs/dbraw/zinc/32/25/89/277322589.db2.gz AIRDDJVJYLAEMH-BDAKNGLRSA-N 1 2 271.317 -1.139 20 0 CAADLO COC(=O)[C@@](C)(O)C[N@@H+]1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000330857322 277375952 /nfs/dbraw/zinc/37/59/52/277375952.db2.gz UJWWIDWEPGAFIS-CPCISQLKSA-N 1 2 271.273 -1.854 20 0 CAADLO COC(=O)[C@@](C)(O)C[N@H+]1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000330857322 277375954 /nfs/dbraw/zinc/37/59/54/277375954.db2.gz UJWWIDWEPGAFIS-CPCISQLKSA-N 1 2 271.273 -1.854 20 0 CAADLO CC(C)NC(=O)C(=O)N1CC[NH+]([C@@H]2COC[C@@H]2O)CC1 ZINC000361288788 277647275 /nfs/dbraw/zinc/64/72/75/277647275.db2.gz OETIUSDAJSROSR-MNOVXSKESA-N 1 2 285.344 -1.585 20 0 CAADLO CC(=O)NC1CN(C(=O)C[N@@H+](C)CC(=O)NC(C)C)C1 ZINC000332059878 278090012 /nfs/dbraw/zinc/09/00/12/278090012.db2.gz PRSQZAYFAHONIK-UHFFFAOYSA-N 1 2 284.360 -1.210 20 0 CAADLO CC(=O)NC1CN(C(=O)C[N@H+](C)CC(=O)NC(C)C)C1 ZINC000332059878 278090015 /nfs/dbraw/zinc/09/00/15/278090015.db2.gz PRSQZAYFAHONIK-UHFFFAOYSA-N 1 2 284.360 -1.210 20 0 CAADLO CCN(C)S(=O)(=O)NC[C@@](C)(O)C[NH+]1CCOCC1 ZINC000443243341 279041073 /nfs/dbraw/zinc/04/10/73/279041073.db2.gz CVSBGZYZPIXVQH-LLVKDONJSA-N 1 2 295.405 -1.144 20 0 CAADLO CCN1C(=O)[C@@H]2C[N@H+](CC(=O)NC(=O)NC)CCN2C1=O ZINC000369437280 279251049 /nfs/dbraw/zinc/25/10/49/279251049.db2.gz KFGMYKDGBGNMQO-QMMMGPOBSA-N 1 2 297.315 -1.590 20 0 CAADLO CCN1C(=O)[C@@H]2C[N@@H+](CC(=O)NC(=O)NC)CCN2C1=O ZINC000369437280 279251052 /nfs/dbraw/zinc/25/10/52/279251052.db2.gz KFGMYKDGBGNMQO-QMMMGPOBSA-N 1 2 297.315 -1.590 20 0 CAADLO C[C@@H]1CN(CC[N@@H+]2CCN3C(=O)NC(=O)[C@H]3C2)CCO1 ZINC000407961609 288171698 /nfs/dbraw/zinc/17/16/98/288171698.db2.gz JAEWUYPLTWJNHY-GHMZBOCLSA-N 1 2 282.344 -1.057 20 0 CAADLO C[C@@H]1CN(CC[N@H+]2CCN3C(=O)NC(=O)[C@H]3C2)CCO1 ZINC000407961609 288171701 /nfs/dbraw/zinc/17/17/01/288171701.db2.gz JAEWUYPLTWJNHY-GHMZBOCLSA-N 1 2 282.344 -1.057 20 0 CAADLO CC[C@@H]1C(=O)NCC[N@H+]1Cc1cn(C)c(=O)n(C)c1=O ZINC000093050570 280231787 /nfs/dbraw/zinc/23/17/87/280231787.db2.gz FUPFCPFPFJYZSX-SNVBAGLBSA-N 1 2 280.328 -1.206 20 0 CAADLO CC[C@@H]1C(=O)NCC[N@@H+]1Cc1cn(C)c(=O)n(C)c1=O ZINC000093050570 280231788 /nfs/dbraw/zinc/23/17/88/280231788.db2.gz FUPFCPFPFJYZSX-SNVBAGLBSA-N 1 2 280.328 -1.206 20 0 CAADLO CN(C)S(=O)(=O)CC[N@@H+](C)[C@H]1COC[C@H]1O ZINC000352798173 289240701 /nfs/dbraw/zinc/24/07/01/289240701.db2.gz JPAZRJDYNUBIJO-DTWKUNHWSA-N 1 2 252.336 -1.431 20 0 CAADLO CN(C)S(=O)(=O)CC[N@H+](C)[C@H]1COC[C@H]1O ZINC000352798173 289240698 /nfs/dbraw/zinc/24/06/98/289240698.db2.gz JPAZRJDYNUBIJO-DTWKUNHWSA-N 1 2 252.336 -1.431 20 0 CAADLO CN(C)S(=O)(=O)CC[N@H+](C)[C@H]1COC[C@@H]1O ZINC000352798174 289240961 /nfs/dbraw/zinc/24/09/61/289240961.db2.gz JPAZRJDYNUBIJO-IUCAKERBSA-N 1 2 252.336 -1.431 20 0 CAADLO CN(C)S(=O)(=O)CC[N@@H+](C)[C@H]1COC[C@@H]1O ZINC000352798174 289240962 /nfs/dbraw/zinc/24/09/62/289240962.db2.gz JPAZRJDYNUBIJO-IUCAKERBSA-N 1 2 252.336 -1.431 20 0 CAADLO CN(C)S(=O)(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000336787560 289251351 /nfs/dbraw/zinc/25/13/51/289251351.db2.gz MEFDHLNLFUNTPO-SNVBAGLBSA-N 1 2 281.378 -1.582 20 0 CAADLO CN(C[C@@H](O)C[NH+]1CCOCC1)S(C)(=O)=O ZINC000339241894 289697029 /nfs/dbraw/zinc/69/70/29/289697029.db2.gz YOQCHUPMYDOLCY-SECBINFHSA-N 1 2 252.336 -1.429 20 0 CAADLO CN1CCN(CC(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)CC1=O ZINC000329608319 290039574 /nfs/dbraw/zinc/03/95/74/290039574.db2.gz NBVLKKICVYBFOZ-NEPJUHHUSA-N 1 2 296.371 -1.698 20 0 CAADLO CN1CCN(CC(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)CC1=O ZINC000329608319 290039579 /nfs/dbraw/zinc/03/95/79/290039579.db2.gz NBVLKKICVYBFOZ-NEPJUHHUSA-N 1 2 296.371 -1.698 20 0 CAADLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)C3(CO)COC3)C[C@@H]21 ZINC000329175824 290079106 /nfs/dbraw/zinc/07/91/06/290079106.db2.gz LPLZUJDXJOAKPV-WDEREUQCSA-N 1 2 270.329 -1.073 20 0 CAADLO C[N@H+]1CCO[C@@H]2CCN(C(=O)C3(CO)COC3)C[C@@H]21 ZINC000329175824 290079108 /nfs/dbraw/zinc/07/91/08/290079108.db2.gz LPLZUJDXJOAKPV-WDEREUQCSA-N 1 2 270.329 -1.073 20 0 CAADLO CN1CCOC[C@H]1C(=O)N1C[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000514640335 290093533 /nfs/dbraw/zinc/09/35/33/290093533.db2.gz YYEQIDUOVBTKOF-SDDRHHMPSA-N 1 2 269.345 -1.142 20 0 CAADLO CN1CCOC[C@H]1C(=O)N1C[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000514640335 290093535 /nfs/dbraw/zinc/09/35/35/290093535.db2.gz YYEQIDUOVBTKOF-SDDRHHMPSA-N 1 2 269.345 -1.142 20 0 CAADLO CN1CCOC[C@@H]1C(=O)N1C[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000345695378 290095055 /nfs/dbraw/zinc/09/50/55/290095055.db2.gz YYEQIDUOVBTKOF-QJPTWQEYSA-N 1 2 269.345 -1.142 20 0 CAADLO CN1CCOC[C@@H]1C(=O)N1C[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000345695378 290095058 /nfs/dbraw/zinc/09/50/58/290095058.db2.gz YYEQIDUOVBTKOF-QJPTWQEYSA-N 1 2 269.345 -1.142 20 0 CAADLO CN1CCOC[C@@H]1C(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C ZINC000345695442 290118106 /nfs/dbraw/zinc/11/81/06/290118106.db2.gz YYEQIDUOVBTKOF-UTUOFQBUSA-N 1 2 269.345 -1.142 20 0 CAADLO CN1CCOC[C@@H]1C(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C ZINC000345695442 290118108 /nfs/dbraw/zinc/11/81/08/290118108.db2.gz YYEQIDUOVBTKOF-UTUOFQBUSA-N 1 2 269.345 -1.142 20 0 CAADLO CN1CCO[C@H]2C[N@H+](CC(=O)NC(=O)NC3CC3)C[C@H]21 ZINC000332966804 290119883 /nfs/dbraw/zinc/11/98/83/290119883.db2.gz ZHVKNHVVYKCIQS-MNOVXSKESA-N 1 2 282.344 -1.011 20 0 CAADLO CN1CCO[C@H]2C[N@@H+](CC(=O)NC(=O)NC3CC3)C[C@H]21 ZINC000332966804 290119886 /nfs/dbraw/zinc/11/98/86/290119886.db2.gz ZHVKNHVVYKCIQS-MNOVXSKESA-N 1 2 282.344 -1.011 20 0 CAADLO C[N@@H+]1CCO[C@H]2CN(CC(=O)NC(=O)NC3CC3)C[C@H]21 ZINC000332966804 290119888 /nfs/dbraw/zinc/11/98/88/290119888.db2.gz ZHVKNHVVYKCIQS-MNOVXSKESA-N 1 2 282.344 -1.011 20 0 CAADLO C[N@H+]1CCO[C@H]2CN(CC(=O)NC(=O)NC3CC3)C[C@H]21 ZINC000332966804 290119892 /nfs/dbraw/zinc/11/98/92/290119892.db2.gz ZHVKNHVVYKCIQS-MNOVXSKESA-N 1 2 282.344 -1.011 20 0 CAADLO CN1CC[C@@H]([N@@H+]2CCC[C@@H](S(N)(=O)=O)C2)C1=O ZINC000408198375 290129555 /nfs/dbraw/zinc/12/95/55/290129555.db2.gz MTPHFBWMZBGOMV-RKDXNWHRSA-N 1 2 261.347 -1.030 20 0 CAADLO CN1CC[C@@H]([N@H+]2CCC[C@@H](S(N)(=O)=O)C2)C1=O ZINC000408198375 290129559 /nfs/dbraw/zinc/12/95/59/290129559.db2.gz MTPHFBWMZBGOMV-RKDXNWHRSA-N 1 2 261.347 -1.030 20 0 CAADLO CN1CC[C@@H]([N@@H+]2CCN3C(=O)C(=O)NC[C@H]3C2)C1=O ZINC000246581100 290130171 /nfs/dbraw/zinc/13/01/71/290130171.db2.gz ISBGCZUIOHLPIL-DTWKUNHWSA-N 1 2 266.301 -2.140 20 0 CAADLO CN1CC[C@@H]([N@H+]2CCN3C(=O)C(=O)NC[C@H]3C2)C1=O ZINC000246581100 290130172 /nfs/dbraw/zinc/13/01/72/290130172.db2.gz ISBGCZUIOHLPIL-DTWKUNHWSA-N 1 2 266.301 -2.140 20 0 CAADLO CN1CC[C@@H](NC(=O)N2C[C@H]3OCC[N@H+](C)[C@H]3C2)C1=O ZINC000118970147 290138166 /nfs/dbraw/zinc/13/81/66/290138166.db2.gz BFUWRWREJYFSPQ-OUAUKWLOSA-N 1 2 282.344 -1.059 20 0 CAADLO CN1CC[C@@H](NC(=O)N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)C1=O ZINC000118970147 290138170 /nfs/dbraw/zinc/13/81/70/290138170.db2.gz BFUWRWREJYFSPQ-OUAUKWLOSA-N 1 2 282.344 -1.059 20 0 CAADLO CN1C[C@@H](NC(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)CC1=O ZINC000334020576 290273190 /nfs/dbraw/zinc/27/31/90/290273190.db2.gz CTRJGWPOEUZPTC-AXFHLTTASA-N 1 2 282.344 -1.059 20 0 CAADLO CN1C[C@@H](NC(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)CC1=O ZINC000334020576 290273196 /nfs/dbraw/zinc/27/31/96/290273196.db2.gz CTRJGWPOEUZPTC-AXFHLTTASA-N 1 2 282.344 -1.059 20 0 CAADLO NC(=O)NC(=O)C[N@@H+]1CCNC(=O)CC12CCC2 ZINC001197565753 782057687 /nfs/dbraw/zinc/05/76/87/782057687.db2.gz XTFBTELLVZKWSY-UHFFFAOYSA-N 1 2 254.290 -1.074 20 0 CAADLO NC(=O)NC(=O)C[N@H+]1CCNC(=O)CC12CCC2 ZINC001197565753 782057696 /nfs/dbraw/zinc/05/76/96/782057696.db2.gz XTFBTELLVZKWSY-UHFFFAOYSA-N 1 2 254.290 -1.074 20 0 CAADLO CN(C)C(=O)C1(C(=O)N2CCC[N@H+](CC(N)=O)CC2)CC1 ZINC001197786899 782058332 /nfs/dbraw/zinc/05/83/32/782058332.db2.gz MEMZQQYSQBXATB-UHFFFAOYSA-N 1 2 296.371 -1.126 20 0 CAADLO CN(C)C(=O)C1(C(=O)N2CCC[N@@H+](CC(N)=O)CC2)CC1 ZINC001197786899 782058341 /nfs/dbraw/zinc/05/83/41/782058341.db2.gz MEMZQQYSQBXATB-UHFFFAOYSA-N 1 2 296.371 -1.126 20 0 CAADLO Cn1cc(N2CC[C@H]([N@H+]3C[C@@H](O)[C@@H](O)C3)C2=O)cn1 ZINC000328598002 294254444 /nfs/dbraw/zinc/25/44/44/294254444.db2.gz AUVVGIVEUMHIDF-GARJFASQSA-N 1 2 266.301 -1.437 20 0 CAADLO Cn1cc(N2CC[C@H]([N@@H+]3C[C@@H](O)[C@@H](O)C3)C2=O)cn1 ZINC000328598002 294254449 /nfs/dbraw/zinc/25/44/49/294254449.db2.gz AUVVGIVEUMHIDF-GARJFASQSA-N 1 2 266.301 -1.437 20 0 CAADLO C[C@@H]1C[N@@H+]([C@H]2CC(=O)N(C)C2=O)C[C@H](C(N)=O)O1 ZINC000346816757 297073848 /nfs/dbraw/zinc/07/38/48/297073848.db2.gz FIDRMSFRWCRGPP-GJMOJQLCSA-N 1 2 255.274 -1.682 20 0 CAADLO C[C@@H]1C[N@H+]([C@H]2CC(=O)N(C)C2=O)C[C@H](C(N)=O)O1 ZINC000346816757 297073849 /nfs/dbraw/zinc/07/38/49/297073849.db2.gz FIDRMSFRWCRGPP-GJMOJQLCSA-N 1 2 255.274 -1.682 20 0 CAADLO C[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1NC(=O)[C@H]1CCCO1 ZINC001205822143 782061858 /nfs/dbraw/zinc/06/18/58/782061858.db2.gz HKJCSVKMIVNMIK-OPRDCNLKSA-N 1 2 298.343 -1.203 20 0 CAADLO C[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1NC(=O)[C@H]1CCCO1 ZINC001205822143 782061870 /nfs/dbraw/zinc/06/18/70/782061870.db2.gz HKJCSVKMIVNMIK-OPRDCNLKSA-N 1 2 298.343 -1.203 20 0 CAADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)Cn2cncn2)CC1 ZINC001198046236 782062894 /nfs/dbraw/zinc/06/28/94/782062894.db2.gz FUUDZCVAPTUSOO-UHFFFAOYSA-N 1 2 294.359 -1.052 20 0 CAADLO CCNC(=O)C[N@H+]1CCCN(C(=O)Cn2cncn2)CC1 ZINC001198046236 782062905 /nfs/dbraw/zinc/06/29/05/782062905.db2.gz FUUDZCVAPTUSOO-UHFFFAOYSA-N 1 2 294.359 -1.052 20 0 CAADLO NC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@@H+]1CC(=O)N1CCNC(=O)C1 ZINC000364952817 295136342 /nfs/dbraw/zinc/13/63/42/295136342.db2.gz DMGLYJQYEBGILW-CWSCBRNRSA-N 1 2 294.355 -1.469 20 0 CAADLO NC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@H+]1CC(=O)N1CCNC(=O)C1 ZINC000364952817 295136343 /nfs/dbraw/zinc/13/63/43/295136343.db2.gz DMGLYJQYEBGILW-CWSCBRNRSA-N 1 2 294.355 -1.469 20 0 CAADLO C[C@@](O)(CNS(C)(=O)=O)C[NH+]1CCOCC1 ZINC000343803814 297853023 /nfs/dbraw/zinc/85/30/23/297853023.db2.gz CHBAPBGFDDYNCD-SECBINFHSA-N 1 2 252.336 -1.381 20 0 CAADLO C[C@H](C(=O)NC(N)=O)[N@@H+]1CCN2C(=O)CC[C@@H]2C1 ZINC000346492635 298133915 /nfs/dbraw/zinc/13/39/15/298133915.db2.gz QRDKMDIZJBOWIZ-HTQZYQBOSA-N 1 2 254.290 -1.124 20 0 CAADLO C[C@H](C(=O)NC(N)=O)[N@H+]1CCN2C(=O)CC[C@@H]2C1 ZINC000346492635 298133918 /nfs/dbraw/zinc/13/39/18/298133918.db2.gz QRDKMDIZJBOWIZ-HTQZYQBOSA-N 1 2 254.290 -1.124 20 0 CAADLO C[C@H](C[NH+]1CCOCC1)NC(=O)N1C[C@H](O)C[C@@H]1CO ZINC000361348361 298640478 /nfs/dbraw/zinc/64/04/78/298640478.db2.gz JXOLJVIDISMZNP-IJLUTSLNSA-N 1 2 287.360 -1.156 20 0 CAADLO C[C@H]1C[N@H+](CCN2C(=O)CNC2=O)CC(=O)N1C ZINC000282027598 300257448 /nfs/dbraw/zinc/25/74/48/300257448.db2.gz FIFQKGJECNEATR-QMMMGPOBSA-N 1 2 254.290 -1.299 20 0 CAADLO C[C@H]1C[N@@H+](CCN2C(=O)CNC2=O)CC(=O)N1C ZINC000282027598 300257450 /nfs/dbraw/zinc/25/74/50/300257450.db2.gz FIFQKGJECNEATR-QMMMGPOBSA-N 1 2 254.290 -1.299 20 0 CAADLO CC[N@H+](CC(=O)NCC(=O)OC)[C@@H]1CCNC1=O ZINC000440956955 527905348 /nfs/dbraw/zinc/90/53/48/527905348.db2.gz LLLDBSPDZPBTNC-MRVPVSSYSA-N 1 2 257.290 -1.514 20 0 CAADLO CC[N@@H+](CC(=O)NCC(=O)OC)[C@@H]1CCNC1=O ZINC000440956955 527905352 /nfs/dbraw/zinc/90/53/52/527905352.db2.gz LLLDBSPDZPBTNC-MRVPVSSYSA-N 1 2 257.290 -1.514 20 0 CAADLO NC(=O)[C@@H]1CCC[N@H+]1CCN1CCCS1(=O)=O ZINC000408447667 303299877 /nfs/dbraw/zinc/29/98/77/303299877.db2.gz ZUNVIPKMKJOJMB-VIFPVBQESA-N 1 2 261.347 -1.028 20 0 CAADLO NC(=O)[C@@H]1CCC[N@@H+]1CCN1CCCS1(=O)=O ZINC000408447667 303299874 /nfs/dbraw/zinc/29/98/74/303299874.db2.gz ZUNVIPKMKJOJMB-VIFPVBQESA-N 1 2 261.347 -1.028 20 0 CAADLO NC(=O)[C@H]1CCC[N@@H+]1CC(=O)NCC(=O)N1CCCC1 ZINC000042382605 303329851 /nfs/dbraw/zinc/32/98/51/303329851.db2.gz JAOHGASWZZFATF-SNVBAGLBSA-N 1 2 282.344 -1.325 20 0 CAADLO NS(=O)(=O)N1CC[NH+](C[C@@H](O)C(F)(F)F)CC1 ZINC000181697201 303440448 /nfs/dbraw/zinc/44/04/48/303440448.db2.gz YMQMCKDIRJUDLO-ZCFIWIBFSA-N 1 2 277.268 -1.269 20 0 CAADLO NS(=O)(=O)N1CC[NH+]([C@H]2CCCNC2=O)CC1 ZINC000336697469 303440957 /nfs/dbraw/zinc/44/09/57/303440957.db2.gz KHOZQEOPXRBIFR-QMMMGPOBSA-N 1 2 262.335 -1.914 20 0 CAADLO NC(=O)CCCC(=O)N1CCC[N@H+](CC(N)=O)CC1 ZINC001198384844 782065587 /nfs/dbraw/zinc/06/55/87/782065587.db2.gz AZPFTIVSUULAMC-UHFFFAOYSA-N 1 2 270.333 -1.338 20 0 CAADLO NC(=O)CCCC(=O)N1CCC[N@@H+](CC(N)=O)CC1 ZINC001198384844 782065593 /nfs/dbraw/zinc/06/55/93/782065593.db2.gz AZPFTIVSUULAMC-UHFFFAOYSA-N 1 2 270.333 -1.338 20 0 CAADLO CCS(=O)(=O)NCC[NH2+][C@@H](C)c1nnnn1C ZINC001198448735 782067983 /nfs/dbraw/zinc/06/79/83/782067983.db2.gz AJMFMMHVSORPHW-ZETCQYMHSA-N 1 2 262.339 -1.200 20 0 CAADLO NC(=O)NCCC(=O)N[C@@H]1C[N@H+](C/C=C/Cl)C[C@H]1O ZINC001198489473 782068299 /nfs/dbraw/zinc/06/82/99/782068299.db2.gz GXPGUXUSVUKNLL-XQTQNPGASA-N 1 2 290.751 -1.041 20 0 CAADLO NC(=O)NCCC(=O)N[C@@H]1C[N@@H+](C/C=C/Cl)C[C@H]1O ZINC001198489473 782068309 /nfs/dbraw/zinc/06/83/09/782068309.db2.gz GXPGUXUSVUKNLL-XQTQNPGASA-N 1 2 290.751 -1.041 20 0 CAADLO NC(=O)NCCC(=O)N[C@@H]1C[N@H+](CCF)C[C@H]1O ZINC001198489254 782068874 /nfs/dbraw/zinc/06/88/74/782068874.db2.gz BZYHOULNXXFQRW-HTQZYQBOSA-N 1 2 262.285 -1.824 20 0 CAADLO NC(=O)NCCC(=O)N[C@@H]1C[N@@H+](CCF)C[C@H]1O ZINC001198489254 782068882 /nfs/dbraw/zinc/06/88/82/782068882.db2.gz BZYHOULNXXFQRW-HTQZYQBOSA-N 1 2 262.285 -1.824 20 0 CAADLO CNC(=O)NCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(N)=O ZINC001110526434 782073580 /nfs/dbraw/zinc/07/35/80/782073580.db2.gz IOZLEWJBBSSILV-BBBLOLIVSA-N 1 2 297.359 -1.488 20 0 CAADLO CNC(=O)NCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(N)=O ZINC001110526434 782073592 /nfs/dbraw/zinc/07/35/92/782073592.db2.gz IOZLEWJBBSSILV-BBBLOLIVSA-N 1 2 297.359 -1.488 20 0 CAADLO NC(=O)CCCC(=O)N[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@H]1O ZINC001199451281 782079777 /nfs/dbraw/zinc/07/97/77/782079777.db2.gz UCIAQOCWYZEODO-KXUCPTDWSA-N 1 2 298.343 -2.308 20 0 CAADLO NC(=O)CCCC(=O)N[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@H]1O ZINC001199451281 782079782 /nfs/dbraw/zinc/07/97/82/782079782.db2.gz UCIAQOCWYZEODO-KXUCPTDWSA-N 1 2 298.343 -2.308 20 0 CAADLO CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001199405708 782079998 /nfs/dbraw/zinc/07/99/98/782079998.db2.gz JQLVOPDLWKJUKK-GHMZBOCLSA-N 1 2 295.343 -1.820 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCC(N)=O)C1 ZINC001199429946 782080274 /nfs/dbraw/zinc/08/02/74/782080274.db2.gz QQIPGZLZVPHIJS-IWSPIJDZSA-N 1 2 286.332 -2.323 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCC(N)=O)C1 ZINC001199429946 782080282 /nfs/dbraw/zinc/08/02/82/782080282.db2.gz QQIPGZLZVPHIJS-IWSPIJDZSA-N 1 2 286.332 -2.323 20 0 CAADLO C[C@@H]1C(=O)NCCN1C(=O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000574970016 327673427 /nfs/dbraw/zinc/67/34/27/327673427.db2.gz PQOLBVGCNZMCHJ-SNVBAGLBSA-N 1 2 294.355 -1.360 20 0 CAADLO C[C@H]1C(=O)NCCN1C(=O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000574970014 327673567 /nfs/dbraw/zinc/67/35/67/327673567.db2.gz PQOLBVGCNZMCHJ-JTQLQIEISA-N 1 2 294.355 -1.360 20 0 CAADLO O=C(CN1CC[NH2+]CC1=O)NCCNC(=O)c1ccn[nH]1 ZINC000580323657 327807161 /nfs/dbraw/zinc/80/71/61/327807161.db2.gz BTYXOGKGRSZHIR-UHFFFAOYSA-N 1 2 294.315 -2.313 20 0 CAADLO CNC(=O)CN1CCN(c2nc[nH+]c(N)c2OC)CC1 ZINC000571060972 327995188 /nfs/dbraw/zinc/99/51/88/327995188.db2.gz QNNSUQKOOHMLDO-UHFFFAOYSA-N 1 2 280.332 -1.065 20 0 CAADLO CC(=O)[C@@H](NC(=O)C[NH2+][C@@]1(C(N)=O)CCOC1)C(C)C ZINC000563354866 328057679 /nfs/dbraw/zinc/05/76/79/328057679.db2.gz BVZPRNFLMICZOM-AAEUAGOBSA-N 1 2 285.344 -1.050 20 0 CAADLO CC(C)(CC(N)=O)NC(=O)CN1CC[NH2+]CC1=O ZINC000563336710 328054638 /nfs/dbraw/zinc/05/46/38/328054638.db2.gz QKAUUXZVUSSCBF-UHFFFAOYSA-N 1 2 256.306 -1.812 20 0 CAADLO COC(=O)[C@@H]1CN(C(=O)CN2CC[NH2+]CC2=O)CCO1 ZINC000563336010 328054653 /nfs/dbraw/zinc/05/46/53/328054653.db2.gz HSAVGDUJPCHQRG-VIFPVBQESA-N 1 2 285.300 -2.181 20 0 CAADLO CNC(=O)CCC[N@@H+]1CCN(CC(N)=O)C(=O)C1 ZINC000563365655 328059626 /nfs/dbraw/zinc/05/96/26/328059626.db2.gz NICAUJPMQISRDX-UHFFFAOYSA-N 1 2 256.306 -1.858 20 0 CAADLO CNC(=O)CCC[N@H+]1CCN(CC(N)=O)C(=O)C1 ZINC000563365655 328059627 /nfs/dbraw/zinc/05/96/27/328059627.db2.gz NICAUJPMQISRDX-UHFFFAOYSA-N 1 2 256.306 -1.858 20 0 CAADLO C[NH+]1CCN(C(=O)C(=O)N2CCN(C3CC3)C(=O)C2)CC1 ZINC000571262332 328096056 /nfs/dbraw/zinc/09/60/56/328096056.db2.gz ISAAOJXPMLHXPQ-UHFFFAOYSA-N 1 2 294.355 -1.406 20 0 CAADLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)C[C@@H]1NC(=O)NC1=O ZINC000571465571 328123687 /nfs/dbraw/zinc/12/36/87/328123687.db2.gz FTNOMIASMBPVPV-UWVGGRQHSA-N 1 2 298.343 -1.236 20 0 CAADLO CC[C@@H]1C[N@H+](CCNC(=O)Cn2ncn(C)c2=O)CCO1 ZINC000572817252 328216120 /nfs/dbraw/zinc/21/61/20/328216120.db2.gz XWUDLHIKDVXCAN-LLVKDONJSA-N 1 2 297.359 -1.191 20 0 CAADLO CC[C@@H]1C[N@@H+](CCNC(=O)Cn2ncn(C)c2=O)CCO1 ZINC000572817252 328216122 /nfs/dbraw/zinc/21/61/22/328216122.db2.gz XWUDLHIKDVXCAN-LLVKDONJSA-N 1 2 297.359 -1.191 20 0 CAADLO C[C@H](CNC(=O)[C@H]1C[N@@H+]2CCN1CCC2)S(C)(=O)=O ZINC000535016520 328375868 /nfs/dbraw/zinc/37/58/68/328375868.db2.gz CDNFLEXUEBQCOT-GHMZBOCLSA-N 1 2 289.401 -1.074 20 0 CAADLO C[C@H](CNC(=O)[C@H]1C[N@H+]2CCN1CCC2)S(C)(=O)=O ZINC000535016520 328375870 /nfs/dbraw/zinc/37/58/70/328375870.db2.gz CDNFLEXUEBQCOT-GHMZBOCLSA-N 1 2 289.401 -1.074 20 0 CAADLO C[C@@H](CNC(=O)C(=O)N(C)CC[NH+](C)C)S(C)(=O)=O ZINC000563876145 328541502 /nfs/dbraw/zinc/54/15/02/328541502.db2.gz QUPZZKNYBNPGDY-VIFPVBQESA-N 1 2 293.389 -1.444 20 0 CAADLO C[C@H](O)C(=O)N1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC000556716469 326959971 /nfs/dbraw/zinc/95/99/71/326959971.db2.gz NRCVVDVNTBLOOI-JTQLQIEISA-N 1 2 266.301 -1.065 20 0 CAADLO O=C(CNC(=O)c1cn[nH]c1)NCC[NH+]1CCOCC1 ZINC000558197598 327078352 /nfs/dbraw/zinc/07/83/52/327078352.db2.gz ISHAUHBAZCZMLA-UHFFFAOYSA-N 1 2 281.316 -1.412 20 0 CAADLO Cn1nnc(CNC(=O)NCC2([NH+]3CCOCC3)CC2)n1 ZINC000559143805 327142950 /nfs/dbraw/zinc/14/29/50/327142950.db2.gz DGACJZNCAFUBIG-UHFFFAOYSA-N 1 2 295.347 -1.126 20 0 CAADLO CC(C)Nc1nc(NCCO)[nH+]c(N[C@@H]2CO[C@H](C)C2)n1 ZINC000566161870 327151807 /nfs/dbraw/zinc/15/18/07/327151807.db2.gz IUHIWYLQPHCJSR-ZJUUUORDSA-N 1 2 296.375 -1.049 20 0 CAADLO CC(C)Nc1nc(N[C@@H]2CO[C@H](C)C2)nc(NCCO)[nH+]1 ZINC000566161870 327151806 /nfs/dbraw/zinc/15/18/06/327151806.db2.gz IUHIWYLQPHCJSR-ZJUUUORDSA-N 1 2 296.375 -1.049 20 0 CAADLO CC(C)Nc1nc(N[C@H]2CO[C@@H](C)C2)nc(NCCO)[nH+]1 ZINC000566161869 327151769 /nfs/dbraw/zinc/15/17/69/327151769.db2.gz IUHIWYLQPHCJSR-VHSXEESVSA-N 1 2 296.375 -1.049 20 0 CAADLO CC(C)Nc1nc(NCCO)[nH+]c(N[C@H]2CO[C@@H](C)C2)n1 ZINC000566161869 327151772 /nfs/dbraw/zinc/15/17/72/327151772.db2.gz IUHIWYLQPHCJSR-VHSXEESVSA-N 1 2 296.375 -1.049 20 0 CAADLO CC(C)Nc1nc(NCCO)nc(N[C@H]2CO[C@@H](C)C2)[nH+]1 ZINC000566161869 327151774 /nfs/dbraw/zinc/15/17/74/327151774.db2.gz IUHIWYLQPHCJSR-VHSXEESVSA-N 1 2 296.375 -1.049 20 0 CAADLO CC(C)Nc1nc(NCCO)nc(N[C@@H]2CO[C@H](C)C2)[nH+]1 ZINC000566161870 327151808 /nfs/dbraw/zinc/15/18/08/327151808.db2.gz IUHIWYLQPHCJSR-ZJUUUORDSA-N 1 2 296.375 -1.049 20 0 CAADLO CNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@H](C)O[C@H](CO)C1 ZINC000299973148 327157245 /nfs/dbraw/zinc/15/72/45/327157245.db2.gz XFVSTHBBUASMAM-CIUDSAMLSA-N 1 2 259.306 -1.088 20 0 CAADLO CNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@H](C)O[C@H](CO)C1 ZINC000299973148 327157246 /nfs/dbraw/zinc/15/72/46/327157246.db2.gz XFVSTHBBUASMAM-CIUDSAMLSA-N 1 2 259.306 -1.088 20 0 CAADLO CN(C)c1nccc(CNC(=O)CN2CC[NH2+]CC2=O)n1 ZINC000564931808 327161442 /nfs/dbraw/zinc/16/14/42/327161442.db2.gz SFBNABQIHFUYGI-UHFFFAOYSA-N 1 2 292.343 -1.409 20 0 CAADLO CCN(C)C(=O)[C@@H](C)NC(=O)CN1CC[NH2+]CC1=O ZINC000566195126 327162506 /nfs/dbraw/zinc/16/25/06/327162506.db2.gz ABGPBOSHNXSSAF-SECBINFHSA-N 1 2 270.333 -1.599 20 0 CAADLO COC(=O)[C@H]1CC[C@@H](C(=O)NC[C@H]2C[NH+]3CCN2CC3)O1 ZINC000569415587 327173681 /nfs/dbraw/zinc/17/36/81/327173681.db2.gz RUGUEDXNCMHVBQ-SDDRHHMPSA-N 1 2 297.355 -1.177 20 0 CAADLO CC(C)(C(N)=O)[NH+]1CCN(C(=O)[C@@H]2CC[C@H]2C(N)=O)CC1 ZINC000569471175 327182919 /nfs/dbraw/zinc/18/29/19/327182919.db2.gz RBXWJXZBEKSTJL-NXEZZACHSA-N 1 2 296.371 -1.094 20 0 CAADLO CC(C)(C(N)=O)[NH+]1CCN(C(=O)[C@@H]2CC[C@@H]2C(N)=O)CC1 ZINC000569471182 327182956 /nfs/dbraw/zinc/18/29/56/327182956.db2.gz RBXWJXZBEKSTJL-VHSXEESVSA-N 1 2 296.371 -1.094 20 0 CAADLO O=C(CN1CC[NH2+]CC1=O)NCCc1cnccn1 ZINC000564940067 327199248 /nfs/dbraw/zinc/19/92/48/327199248.db2.gz JISONULPZXJTNJ-UHFFFAOYSA-N 1 2 263.301 -1.433 20 0 CAADLO CC(C)CN1CCN(C(=O)CN2CC[NH2+]CC2=O)CC1=O ZINC000584290295 327222169 /nfs/dbraw/zinc/22/21/69/327222169.db2.gz RHSFFBIIAXOBOW-UHFFFAOYSA-N 1 2 296.371 -1.255 20 0 CAADLO C[C@H]1C[N@H+](CCNC(=O)CCn2ncn(C)c2=O)CCO1 ZINC000559397959 327243675 /nfs/dbraw/zinc/24/36/75/327243675.db2.gz XVYMHGZHPWBVBI-NSHDSACASA-N 1 2 297.359 -1.191 20 0 CAADLO C[C@H]1C[N@@H+](CCNC(=O)CCn2ncn(C)c2=O)CCO1 ZINC000559397959 327243677 /nfs/dbraw/zinc/24/36/77/327243677.db2.gz XVYMHGZHPWBVBI-NSHDSACASA-N 1 2 297.359 -1.191 20 0 CAADLO O=C(NCCCCn1cc[nH+]c1)C(=O)N1CCNC(=O)C1 ZINC000560301652 327297033 /nfs/dbraw/zinc/29/70/33/327297033.db2.gz DYFDAFSSTNXUEV-UHFFFAOYSA-N 1 2 293.327 -1.262 20 0 CAADLO C[C@@H]1CN(S(=O)(=O)N2CCC2)CC[N@@H+]1CCO ZINC000560471080 327311914 /nfs/dbraw/zinc/31/19/14/327311914.db2.gz NVEUWIUOMMJOCS-SNVBAGLBSA-N 1 2 263.363 -1.065 20 0 CAADLO C[C@@H]1CN(S(=O)(=O)N2CCC2)CC[N@H+]1CCO ZINC000560471080 327311915 /nfs/dbraw/zinc/31/19/15/327311915.db2.gz NVEUWIUOMMJOCS-SNVBAGLBSA-N 1 2 263.363 -1.065 20 0 CAADLO C[C@@H]1CN(C(=O)C(=O)N2CC[NH+](C3CC3)CC2)CC(=O)N1 ZINC000583367504 327325111 /nfs/dbraw/zinc/32/51/11/327325111.db2.gz RTOPZGBYSGFNEP-SNVBAGLBSA-N 1 2 294.355 -1.360 20 0 CAADLO COC[C@H](C)NC(=O)NC(=O)C[NH+]1CC(C)(C(N)=O)C1 ZINC000575284113 327446608 /nfs/dbraw/zinc/44/66/08/327446608.db2.gz ABMOXSRCLMBAPG-QMMMGPOBSA-N 1 2 286.332 -1.346 20 0 CAADLO O=C([C@@H](O)C1CCOCC1)N1CC[NH+](CCO)CC1 ZINC000574896519 327536681 /nfs/dbraw/zinc/53/66/81/327536681.db2.gz WZPVOJPJZAGBJZ-LBPRGKRZSA-N 1 2 272.345 -1.090 20 0 CAADLO O=C(CN1CC[NH2+]CC1=O)N1CCO[C@H](C(=O)C2CC2)C1 ZINC000569967412 327558716 /nfs/dbraw/zinc/55/87/16/327558716.db2.gz NAMPFLBMPHDKKQ-NSHDSACASA-N 1 2 295.339 -1.375 20 0 CAADLO O=S1(=O)NC(C[NH2+]C(CO)CO)=Nc2ccccc21 ZINC000570460823 327593539 /nfs/dbraw/zinc/59/35/39/327593539.db2.gz FXDBKXXBRMQJOJ-UHFFFAOYSA-N 1 2 285.325 -1.049 20 0 CAADLO CN1CCN(C(=O)NCC[NH+]2CCOCC2)CC1=O ZINC000580371915 328797672 /nfs/dbraw/zinc/79/76/72/328797672.db2.gz ZCUMSUMDVMLVCE-UHFFFAOYSA-N 1 2 270.333 -1.198 20 0 CAADLO CCC[C@@H](NC(=O)CN1CC[NH2+]CC1=O)C(=O)OC ZINC000582544556 329104758 /nfs/dbraw/zinc/10/47/58/329104758.db2.gz UJBKORHYKXGZGP-SECBINFHSA-N 1 2 271.317 -1.124 20 0 CAADLO CN1CC[NH2+]C[C@@H]1CNS(=O)(=O)NCC(F)(F)F ZINC000394448067 329116535 /nfs/dbraw/zinc/11/65/35/329116535.db2.gz GAHSRZBIUVXQPX-SSDOTTSWSA-N 1 2 290.311 -1.124 20 0 CAADLO CN1CC[NH2+]C[C@H]1CNS(=O)(=O)NCC(F)(F)F ZINC000394448071 329116659 /nfs/dbraw/zinc/11/66/59/329116659.db2.gz GAHSRZBIUVXQPX-ZETCQYMHSA-N 1 2 290.311 -1.124 20 0 CAADLO COC(=O)[C@@H]1COCCN1C(=O)CN1CC[NH2+]CC1=O ZINC000582906184 329285255 /nfs/dbraw/zinc/28/52/55/329285255.db2.gz LAONNGKRXVSYCP-VIFPVBQESA-N 1 2 285.300 -2.181 20 0 CAADLO C[C@@H](CNC(=O)CN1CC[NH2+]CC1=O)N1CCCCC1=O ZINC000583202039 329361345 /nfs/dbraw/zinc/36/13/45/329361345.db2.gz NZRGDGUQHVBYBS-NSHDSACASA-N 1 2 296.371 -1.065 20 0 CAADLO CNS(=O)(=O)[C@H]1CC[N@@H+]([C@@H]2CC(=O)NC2=O)C1 ZINC000583212737 329368834 /nfs/dbraw/zinc/36/88/34/329368834.db2.gz UYCFYOWSBUVVKV-NKWVEPMBSA-N 1 2 261.303 -1.975 20 0 CAADLO CNS(=O)(=O)[C@H]1CC[N@H+]([C@@H]2CC(=O)NC2=O)C1 ZINC000583212737 329368835 /nfs/dbraw/zinc/36/88/35/329368835.db2.gz UYCFYOWSBUVVKV-NKWVEPMBSA-N 1 2 261.303 -1.975 20 0 CAADLO O=C(CN1CC[NH2+]CC1=O)NCCN1CCCC1=O ZINC000572010807 329937030 /nfs/dbraw/zinc/93/70/30/329937030.db2.gz KJYQPDWNNMTUFR-UHFFFAOYSA-N 1 2 268.317 -1.843 20 0 CAADLO CN1C[C@H](NC(=O)NC[C@H]2CN(C)CC[N@@H+]2C)CC1=O ZINC000332964313 330126288 /nfs/dbraw/zinc/12/62/88/330126288.db2.gz WKHIMSONWZHLHF-MNOVXSKESA-N 1 2 283.376 -1.238 20 0 CAADLO CN1C[C@H](NC(=O)NC[C@H]2CN(C)CC[N@H+]2C)CC1=O ZINC000332964313 330126289 /nfs/dbraw/zinc/12/62/89/330126289.db2.gz WKHIMSONWZHLHF-MNOVXSKESA-N 1 2 283.376 -1.238 20 0 CAADLO COC(=O)C[C@@H]1CN(C(=O)CN2CC[NH2+]CC2=O)CCO1 ZINC000581070257 330141562 /nfs/dbraw/zinc/14/15/62/330141562.db2.gz SEVZVIROKNOPQB-SNVBAGLBSA-N 1 2 299.327 -1.791 20 0 CAADLO CN1CCN(CCC[N@@H+]2CCN(C)C(=O)C2)CC1=O ZINC000119294195 330371873 /nfs/dbraw/zinc/37/18/73/330371873.db2.gz XAHKYHVUTQPUAZ-UHFFFAOYSA-N 1 2 268.361 -1.076 20 0 CAADLO CN1CCN(CCC[N@H+]2CCN(C)C(=O)C2)CC1=O ZINC000119294195 330371874 /nfs/dbraw/zinc/37/18/74/330371874.db2.gz XAHKYHVUTQPUAZ-UHFFFAOYSA-N 1 2 268.361 -1.076 20 0 CAADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C1(CO)COC1 ZINC000537287421 330430991 /nfs/dbraw/zinc/43/09/91/330430991.db2.gz WNZBYOVVQYKRLD-NSHDSACASA-N 1 2 288.344 -1.853 20 0 CAADLO CCC[C@H](C(=O)N[C@@H]1CS(=O)(=O)C[C@H]1O)[NH+](C)C ZINC000575001129 330851013 /nfs/dbraw/zinc/85/10/13/330851013.db2.gz YAQHYBPPFOHZCQ-OPRDCNLKSA-N 1 2 278.374 -1.009 20 0 CAADLO COC(=O)C[C@H]1C(=O)NCC[N@H+]1C[C@](C)(O)C(=O)OC ZINC000429711728 533711983 /nfs/dbraw/zinc/71/19/83/533711983.db2.gz AKTBTFXPURFLKZ-UFBFGSQYSA-N 1 2 288.300 -1.726 20 0 CAADLO COC(=O)C[C@H]1C(=O)NCC[N@@H+]1C[C@](C)(O)C(=O)OC ZINC000429711728 533711988 /nfs/dbraw/zinc/71/19/88/533711988.db2.gz AKTBTFXPURFLKZ-UFBFGSQYSA-N 1 2 288.300 -1.726 20 0 CAADLO CC(C)Nc1nc(NCCO)[nH+]c(NCc2cc[nH]n2)n1 ZINC000553278525 334373172 /nfs/dbraw/zinc/37/31/72/334373172.db2.gz WFELOZWXFFQMIW-UHFFFAOYSA-N 1 2 292.347 -1.303 20 0 CAADLO CC[NH+]1CCN(C(=O)C(=O)NCCN2CCCC2=O)CC1 ZINC000516781748 333082317 /nfs/dbraw/zinc/08/23/17/333082317.db2.gz RZQCVYNRUKXUPB-UHFFFAOYSA-N 1 2 296.371 -1.111 20 0 CAADLO CCN1CCN(C[C@@H](O)C[NH+]2CCOCC2)CC1=O ZINC000541701995 333787544 /nfs/dbraw/zinc/78/75/44/333787544.db2.gz JKHPTVQLHONGLJ-LBPRGKRZSA-N 1 2 271.361 -1.156 20 0 CAADLO CN1CCN(C[C@H](O)C[NH+]2CCOCC2)CC1=O ZINC000133079330 334015762 /nfs/dbraw/zinc/01/57/62/334015762.db2.gz YCGHUPKYYHGVKI-LLVKDONJSA-N 1 2 257.334 -1.547 20 0 CAADLO COC(=O)[C@H]1[C@H](O)CCCN1C(=O)CN1CC[NH2+]CC1=O ZINC000576228591 335174417 /nfs/dbraw/zinc/17/44/17/335174417.db2.gz ZIVDJITXGSKVIO-BXKDBHETSA-N 1 2 299.327 -2.057 20 0 CAADLO O=C1CN(CCCC[N@@H+]2CCNC(=O)C2)CCN1 ZINC000077247190 334099982 /nfs/dbraw/zinc/09/99/82/334099982.db2.gz GDUCVBIAUJTNBZ-UHFFFAOYSA-N 1 2 254.334 -1.370 20 0 CAADLO O=C1CN(CCCC[N@H+]2CCNC(=O)C2)CCN1 ZINC000077247190 334099984 /nfs/dbraw/zinc/09/99/84/334099984.db2.gz GDUCVBIAUJTNBZ-UHFFFAOYSA-N 1 2 254.334 -1.370 20 0 CAADLO Cn1c[nH+]cc1CC(=O)N1CCN(S(N)(=O)=O)CC1 ZINC000547543893 334100550 /nfs/dbraw/zinc/10/05/50/334100550.db2.gz LDQYSDIGBLLNDC-UHFFFAOYSA-N 1 2 287.345 -1.690 20 0 CAADLO OCCNc1nc(NC[C@H](O)CO)[nH+]c2ccccc21 ZINC000547708649 334110736 /nfs/dbraw/zinc/11/07/36/334110736.db2.gz NKWTZVIEMBCILV-VIFPVBQESA-N 1 2 278.312 -1.357 20 0 CAADLO CCn1c(N)c(C(=O)C[N@@H+]2CCC[C@@H](O)C2)c(=O)[nH]c1=O ZINC000078406432 334132772 /nfs/dbraw/zinc/13/27/72/334132772.db2.gz SNUIEJGBZZXCSK-MRVPVSSYSA-N 1 2 296.327 -1.222 20 0 CAADLO CCn1c(N)c(C(=O)C[N@H+]2CCC[C@@H](O)C2)c(=O)[nH]c1=O ZINC000078406432 334132773 /nfs/dbraw/zinc/13/27/73/334132773.db2.gz SNUIEJGBZZXCSK-MRVPVSSYSA-N 1 2 296.327 -1.222 20 0 CAADLO CN(CC[NH+]1CCOCC1)C(=O)CCn1ncn(C)c1=O ZINC000550500649 334223578 /nfs/dbraw/zinc/22/35/78/334223578.db2.gz YOSPGYGCCIHTIE-UHFFFAOYSA-N 1 2 297.359 -1.238 20 0 CAADLO C[C@@H]1C(=O)NCCN1CCOCC[N@@H+]1CCNC(=O)[C@H]1C ZINC000247136782 334276568 /nfs/dbraw/zinc/27/65/68/334276568.db2.gz SQFDXPOOONPQGZ-VXGBXAGGSA-N 1 2 298.387 -1.356 20 0 CAADLO C[C@@H]1C(=O)NCCN1CCOCC[N@H+]1CCNC(=O)[C@H]1C ZINC000247136782 334276569 /nfs/dbraw/zinc/27/65/69/334276569.db2.gz SQFDXPOOONPQGZ-VXGBXAGGSA-N 1 2 298.387 -1.356 20 0 CAADLO Cn1cnn(CCC(=O)NC[C@H]2C[NH+]3CCN2CC3)c1=O ZINC000551722718 334259065 /nfs/dbraw/zinc/25/90/65/334259065.db2.gz JBIFGVQNNQLTMZ-NSHDSACASA-N 1 2 294.359 -1.912 20 0 CAADLO CC[C@H](C(N)=O)[N@@H+]1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC000247989631 334293011 /nfs/dbraw/zinc/29/30/11/334293011.db2.gz JFPHOEDCZMEHAH-JGVFFNPUSA-N 1 2 254.290 -2.107 20 0 CAADLO CC[C@H](C(N)=O)[N@H+]1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC000247989631 334293012 /nfs/dbraw/zinc/29/30/12/334293012.db2.gz JFPHOEDCZMEHAH-JGVFFNPUSA-N 1 2 254.290 -2.107 20 0 CAADLO CN1CC[C@H]([N@H+](C)CC(=O)NCC(=O)N2CCCC2)C1=O ZINC000552137583 334293728 /nfs/dbraw/zinc/29/37/28/334293728.db2.gz QLFJASDSGLIQEI-NSHDSACASA-N 1 2 296.371 -1.113 20 0 CAADLO CN1CC[C@H]([N@@H+](C)CC(=O)NCC(=O)N2CCCC2)C1=O ZINC000552137583 334293731 /nfs/dbraw/zinc/29/37/31/334293731.db2.gz QLFJASDSGLIQEI-NSHDSACASA-N 1 2 296.371 -1.113 20 0 CAADLO C[C@@H]1CN(C[C@@H](O)C[NH+]2CCOCC2)C[C@H](CO)O1 ZINC000248819413 334318167 /nfs/dbraw/zinc/31/81/67/334318167.db2.gz IZQAOWSXSSBOAP-FRRDWIJNSA-N 1 2 274.361 -1.239 20 0 CAADLO C[C@H](O)CN(C(=O)[C@H]1C[N@H+](C)CCO1)[C@@H](C)CO ZINC000248959858 334322984 /nfs/dbraw/zinc/32/29/84/334322984.db2.gz QTVCRXWTFYDCPW-GARJFASQSA-N 1 2 260.334 -1.093 20 0 CAADLO C[C@H](O)CN(C(=O)[C@H]1C[N@@H+](C)CCO1)[C@@H](C)CO ZINC000248959858 334322985 /nfs/dbraw/zinc/32/29/85/334322985.db2.gz QTVCRXWTFYDCPW-GARJFASQSA-N 1 2 260.334 -1.093 20 0 CAADLO C[C@@H]1C(=O)N(C)CCN1C[C@@H](O)C[NH+]1CCOCC1 ZINC000249539846 334336111 /nfs/dbraw/zinc/33/61/11/334336111.db2.gz DQHOJGBBLLAUAB-NEPJUHHUSA-N 1 2 271.361 -1.158 20 0 CAADLO C[C@@H]1C(=O)N(C)CC[N@H+]1C[C@@H](O)CN1CCOCC1 ZINC000249539846 334336112 /nfs/dbraw/zinc/33/61/12/334336112.db2.gz DQHOJGBBLLAUAB-NEPJUHHUSA-N 1 2 271.361 -1.158 20 0 CAADLO C[C@@H]1C(=O)N(C)CC[N@@H+]1C[C@@H](O)CN1CCOCC1 ZINC000249539846 334336114 /nfs/dbraw/zinc/33/61/14/334336114.db2.gz DQHOJGBBLLAUAB-NEPJUHHUSA-N 1 2 271.361 -1.158 20 0 CAADLO NC(=O)[C@H]1CC[C@H]1C(=O)NCC[NH+]1CCOCC1 ZINC000553202137 334368653 /nfs/dbraw/zinc/36/86/53/334368653.db2.gz NHMHDEGUFSEJAZ-VHSXEESVSA-N 1 2 255.318 -1.054 20 0 CAADLO CNS(=O)(=O)NCC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000566980575 334671879 /nfs/dbraw/zinc/67/18/79/334671879.db2.gz ZFUOZOWCAYAVAY-QMMMGPOBSA-N 1 2 275.334 -1.558 20 0 CAADLO O=C([C@H]1CCc2nnnn2CC1)N1CC[NH+](CCO)CC1 ZINC000567617553 334741007 /nfs/dbraw/zinc/74/10/07/334741007.db2.gz NWKPAAFZALEWCJ-NSHDSACASA-N 1 2 294.359 -1.238 20 0 CAADLO COC(=O)CNC(=O)[C@H](C)[NH+]1CC(C)(C(N)=O)C1 ZINC000569218312 334861677 /nfs/dbraw/zinc/86/16/77/334861677.db2.gz YVMGCJISFXIVBQ-ZETCQYMHSA-N 1 2 257.290 -1.529 20 0 CAADLO CC[NH+]1CCN(C(=O)C(=O)N(C)CCNC(C)=O)CC1 ZINC000572602473 334866793 /nfs/dbraw/zinc/86/67/93/334866793.db2.gz RNXVJTOFQOBVGL-UHFFFAOYSA-N 1 2 284.360 -1.255 20 0 CAADLO COC[C@H]1CN(C(=O)CN2CC[NH2+]CC2=O)C[C@H](C)O1 ZINC000576986205 335273805 /nfs/dbraw/zinc/27/38/05/335273805.db2.gz MNPBRZBAYADJTD-WDEREUQCSA-N 1 2 285.344 -1.320 20 0 CAADLO COC[C@@H]1CN(C(=O)CN2CC[NH2+]CC2=O)C[C@@H](C)O1 ZINC000576986203 335273975 /nfs/dbraw/zinc/27/39/75/335273975.db2.gz MNPBRZBAYADJTD-MNOVXSKESA-N 1 2 285.344 -1.320 20 0 CAADLO C[C@@H]1CN(C(=O)C(=O)N(C)Cc2c[nH+]c[nH]2)C[C@@H](CO)O1 ZINC000580580148 335290295 /nfs/dbraw/zinc/29/02/95/335290295.db2.gz BLJBZDQMYXBTOG-KOLCDFICSA-N 1 2 296.327 -1.024 20 0 CAADLO C[C@@H]1CN(C(=O)C(=O)N(C)Cc2c[nH]c[nH+]2)C[C@@H](CO)O1 ZINC000580580148 335290297 /nfs/dbraw/zinc/29/02/97/335290297.db2.gz BLJBZDQMYXBTOG-KOLCDFICSA-N 1 2 296.327 -1.024 20 0 CAADLO CNS(=O)(=O)NCC(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000577288909 335335831 /nfs/dbraw/zinc/33/58/31/335335831.db2.gz KJGRPRZWAWNWKL-SECBINFHSA-N 1 2 294.377 -2.123 20 0 CAADLO CNS(=O)(=O)NCC(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000577288909 335335832 /nfs/dbraw/zinc/33/58/32/335335832.db2.gz KJGRPRZWAWNWKL-SECBINFHSA-N 1 2 294.377 -2.123 20 0 CAADLO C[C@@H](C(=O)N1CCOC[C@H]1CC(N)=O)[NH+]1CCOCC1 ZINC000577507400 335361828 /nfs/dbraw/zinc/36/18/28/335361828.db2.gz ZLRYCNRCBAZAPM-WDEREUQCSA-N 1 2 285.344 -1.190 20 0 CAADLO NC(=O)[C@@H]1CC[C@H](C(=O)NC[C@H]2C[NH+]3CCN2CC3)O1 ZINC000577669627 335387455 /nfs/dbraw/zinc/38/74/55/335387455.db2.gz SILOPJPCMSIXIQ-GARJFASQSA-N 1 2 282.344 -1.865 20 0 CAADLO CC(C)OC(=O)CCNC(=O)CN1CC[NH2+]CC1=O ZINC000578130282 335510930 /nfs/dbraw/zinc/51/09/30/335510930.db2.gz AZNUJJLDYSDZGA-UHFFFAOYSA-N 1 2 271.317 -1.124 20 0 CAADLO O=C(N[C@@H]1CS(=O)(=O)C[C@H]1O)C12CCC[NH+]1CCC2 ZINC000580723535 335960275 /nfs/dbraw/zinc/96/02/75/335960275.db2.gz BSLPDJMWPFPDPO-NXEZZACHSA-N 1 2 288.369 -1.111 20 0 CAADLO COC(=O)C[C@H]1CN(C(=O)CN2CC[NH2+]CC2=O)CCO1 ZINC000581070253 336003822 /nfs/dbraw/zinc/00/38/22/336003822.db2.gz SEVZVIROKNOPQB-JTQLQIEISA-N 1 2 299.327 -1.791 20 0 CAADLO Cn1c[nH+]cc1CNC(=O)NCCN1CCNC(=O)C1 ZINC000581283608 336036275 /nfs/dbraw/zinc/03/62/75/336036275.db2.gz MUCLOLAWHIQXMY-UHFFFAOYSA-N 1 2 280.332 -1.349 20 0 CAADLO COC(=O)CNC(=O)CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000581380065 336065483 /nfs/dbraw/zinc/06/54/83/336065483.db2.gz GWBIWGFRJNNVJO-VIFPVBQESA-N 1 2 294.311 -1.149 20 0 CAADLO Cn1ccc(=O)n(C[C@@H](O)C[NH+]2CCOCC2)c1=O ZINC000382371867 336086534 /nfs/dbraw/zinc/08/65/34/336086534.db2.gz PGFFUYOIBITNPH-JTQLQIEISA-N 1 2 269.301 -1.760 20 0 CAADLO CCCN1CCCN(C(=O)CN2CC[NH2+]CC2=O)CC1=O ZINC000581547057 336100007 /nfs/dbraw/zinc/10/00/07/336100007.db2.gz WFCGGXMAMWHBAQ-UHFFFAOYSA-N 1 2 296.371 -1.111 20 0 CAADLO Cn1c[nH+]cc1CN1CCN(C(=O)Cn2cnnn2)CC1 ZINC000581575210 336105044 /nfs/dbraw/zinc/10/50/44/336105044.db2.gz GEVIHFXOUZPKNZ-UHFFFAOYSA-N 1 2 290.331 -1.249 20 0 CAADLO O=c1nc2[nH]cc(S(=O)(=O)NC3C[NH2+]C3)cc-2c(=O)[nH]1 ZINC000581883855 336159255 /nfs/dbraw/zinc/15/92/55/336159255.db2.gz DQADMKJHSGDEGR-UHFFFAOYSA-N 1 2 297.296 -1.314 20 0 CAADLO CCO[C@@H]1C[C@H](NC(=O)CN2CC[NH2+]CC2=O)[C@@H]1OC ZINC000582001838 336188801 /nfs/dbraw/zinc/18/88/01/336188801.db2.gz OJGXNKPPAIAFOO-CWSCBRNRSA-N 1 2 285.344 -1.273 20 0 CAADLO NC(=O)CC(=O)NC/C=C/C[NH2+]Cc1nnnn1C1CC1 ZINC001273919125 782108492 /nfs/dbraw/zinc/10/84/92/782108492.db2.gz NAYTYGLAPWFXNG-OWOJBTEDSA-N 1 2 293.331 -1.355 20 0 CAADLO CN(C)C(=O)CC[NH+]1CC2(C1)CN(C1COC1)C(=O)CO2 ZINC001273839099 782096759 /nfs/dbraw/zinc/09/67/59/782096759.db2.gz CZYIOFCUFAVULV-UHFFFAOYSA-N 1 2 297.355 -1.223 20 0 CAADLO CC(=O)N(C)CC(=O)NC/C=C\C[NH2+]Cc1nnnn1C ZINC001273868974 782098468 /nfs/dbraw/zinc/09/84/68/782098468.db2.gz BSIPWGVATMWDAM-PLNGDYQASA-N 1 2 295.347 -1.550 20 0 CAADLO COC(=O)[C@@H](O)C[NH+]1CCN(CC(=O)NC(C)C)CC1 ZINC001252419661 782113486 /nfs/dbraw/zinc/11/34/86/782113486.db2.gz CTWKHUBNPZQIRV-NSHDSACASA-N 1 2 287.360 -1.338 20 0 CAADLO COC(=O)[C@H](O)C[N@@H+]1Cc2ccnn2CC[C@@H]1CO ZINC001252424602 782113468 /nfs/dbraw/zinc/11/34/68/782113468.db2.gz VMMVEQRLXOWBEH-GHMZBOCLSA-N 1 2 269.301 -1.016 20 0 CAADLO COC(=O)[C@H](O)C[N@H+]1Cc2ccnn2CC[C@@H]1CO ZINC001252424602 782113469 /nfs/dbraw/zinc/11/34/69/782113469.db2.gz VMMVEQRLXOWBEH-GHMZBOCLSA-N 1 2 269.301 -1.016 20 0 CAADLO COC(=O)[C@@H](O)C[NH+]1CCN(CC(=O)N2CCCC2)CC1 ZINC001252421646 782114132 /nfs/dbraw/zinc/11/41/32/782114132.db2.gz KAKLMANCAOCSJR-LBPRGKRZSA-N 1 2 299.371 -1.240 20 0 CAADLO COC(=O)[C@@H](O)C[N@@H+]1CC[C@H](S(C)(=O)=O)C1 ZINC001252422200 782114403 /nfs/dbraw/zinc/11/44/03/782114403.db2.gz SXJWOXBGAHWSLQ-YUMQZZPRSA-N 1 2 251.304 -1.361 20 0 CAADLO COC(=O)[C@@H](O)C[N@H+]1CC[C@H](S(C)(=O)=O)C1 ZINC001252422200 782114410 /nfs/dbraw/zinc/11/44/10/782114410.db2.gz SXJWOXBGAHWSLQ-YUMQZZPRSA-N 1 2 251.304 -1.361 20 0 CAADLO CN(C)c1noc(C[NH2+]CCNC(=O)CCCC(N)=O)n1 ZINC001153455818 782116620 /nfs/dbraw/zinc/11/66/20/782116620.db2.gz POVPMPPHMTXVKF-UHFFFAOYSA-N 1 2 298.347 -1.003 20 0 CAADLO CCOC(=O)CC1([NH2+]C[C@H](O)C(=O)OC)COC1 ZINC001252441051 782115464 /nfs/dbraw/zinc/11/54/64/782115464.db2.gz XJXSJIPMZQFBTR-QMMMGPOBSA-N 1 2 261.274 -1.168 20 0 CAADLO CCOC(=O)CC1([NH2+]C[C@@H](O)C(=O)OC)COC1 ZINC001252441050 782115725 /nfs/dbraw/zinc/11/57/25/782115725.db2.gz XJXSJIPMZQFBTR-MRVPVSSYSA-N 1 2 261.274 -1.168 20 0 CAADLO NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CN1CN=NC1=O)C2 ZINC001095337974 782128739 /nfs/dbraw/zinc/12/87/39/782128739.db2.gz BPEVFUJMLWEDSO-VGMNWLOBSA-N 1 2 294.315 -1.810 20 0 CAADLO NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CN1CN=NC1=O)C2 ZINC001095337974 782128744 /nfs/dbraw/zinc/12/87/44/782128744.db2.gz BPEVFUJMLWEDSO-VGMNWLOBSA-N 1 2 294.315 -1.810 20 0 CAADLO NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1COC(=O)N1)C2 ZINC001095374323 782128792 /nfs/dbraw/zinc/12/87/92/782128792.db2.gz PJZMQSGKQKHDRV-XGEHTFHBSA-N 1 2 282.300 -1.698 20 0 CAADLO NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1COC(=O)N1)C2 ZINC001095374323 782128795 /nfs/dbraw/zinc/12/87/95/782128795.db2.gz PJZMQSGKQKHDRV-XGEHTFHBSA-N 1 2 282.300 -1.698 20 0 CAADLO CNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnnn1C)C2 ZINC001095372584 782128250 /nfs/dbraw/zinc/12/82/50/782128250.db2.gz YOWZVDLHMBPMJJ-UTLUCORTSA-N 1 2 292.343 -1.104 20 0 CAADLO CNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnnn1C)C2 ZINC001095372584 782128268 /nfs/dbraw/zinc/12/82/68/782128268.db2.gz YOWZVDLHMBPMJJ-UTLUCORTSA-N 1 2 292.343 -1.104 20 0 CAADLO CNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1COC(=O)N1)C2 ZINC001095370796 782128323 /nfs/dbraw/zinc/12/83/23/782128323.db2.gz AXGGAZICKFNLPE-RGOKHQFPSA-N 1 2 296.327 -1.438 20 0 CAADLO CNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1COC(=O)N1)C2 ZINC001095370796 782128331 /nfs/dbraw/zinc/12/83/31/782128331.db2.gz AXGGAZICKFNLPE-RGOKHQFPSA-N 1 2 296.327 -1.438 20 0 CAADLO CC[C@H](C(N)=O)N1C(=O)COCC12C[NH+](C[C@H](C)O)C2 ZINC001274046808 782130544 /nfs/dbraw/zinc/13/05/44/782130544.db2.gz IEZUGYPKMOWVLJ-VHSXEESVSA-N 1 2 285.344 -1.456 20 0 CAADLO CN(C)C(=O)CC[NH+]1CCN(S(N)(=O)=O)CC1 ZINC000408132814 582110275 /nfs/dbraw/zinc/11/02/75/582110275.db2.gz LUEFTIJUMGQOCM-UHFFFAOYSA-N 1 2 264.351 -1.714 20 0 CAADLO CC[N@@H+]1CC[C@H]1CNC(=O)C(=O)NCC[S@](C)=O ZINC000897682027 582118536 /nfs/dbraw/zinc/11/85/36/582118536.db2.gz HSNQDESMDBJHJZ-YYSFKGJASA-N 1 2 275.374 -1.309 20 0 CAADLO CC[N@H+]1CC[C@H]1CNC(=O)C(=O)NCC[S@](C)=O ZINC000897682027 582118538 /nfs/dbraw/zinc/11/85/38/582118538.db2.gz HSNQDESMDBJHJZ-YYSFKGJASA-N 1 2 275.374 -1.309 20 0 CAADLO O=C(Cn1ncnn1)NC/C=C\C[NH2+]Cc1cnon1 ZINC001274024984 782131435 /nfs/dbraw/zinc/13/14/35/782131435.db2.gz KIBQRUCHWJWNPP-UPHRSURJSA-N 1 2 278.276 -1.482 20 0 CAADLO CNC(=O)C(C)(C)N1C(=O)COCC12C[NH+](C[C@H](C)O)C2 ZINC001274050851 782132928 /nfs/dbraw/zinc/13/29/28/782132928.db2.gz CKRUJVJLFHXPKC-JTQLQIEISA-N 1 2 299.371 -1.195 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@]2(C1)CN(C1COC1)C(=O)CO2 ZINC001274062621 782133863 /nfs/dbraw/zinc/13/38/63/782133863.db2.gz ZHCAVTJCOAKDTD-LBPRGKRZSA-N 1 2 269.301 -1.826 20 0 CAADLO NC(=O)C[N@H+]1CC[C@]2(C1)CN(C1COC1)C(=O)CO2 ZINC001274062621 782133868 /nfs/dbraw/zinc/13/38/68/782133868.db2.gz ZHCAVTJCOAKDTD-LBPRGKRZSA-N 1 2 269.301 -1.826 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@]2(C1)CN(Cc1cnoc1)C(=O)CO2 ZINC001274061693 782134036 /nfs/dbraw/zinc/13/40/36/782134036.db2.gz LQEBZJKJZVSAJS-CYBMUJFWSA-N 1 2 294.311 -1.037 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@]2(C1)CN(Cc1cnoc1)C(=O)CO2 ZINC001274061693 782134039 /nfs/dbraw/zinc/13/40/39/782134039.db2.gz LQEBZJKJZVSAJS-CYBMUJFWSA-N 1 2 294.311 -1.037 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@@]12CCN(C[C@H]1CCC(=O)N1)C2=O ZINC001274061640 782134044 /nfs/dbraw/zinc/13/40/44/782134044.db2.gz KHEACCMLPCUVDC-YGRLFVJLSA-N 1 2 294.355 -1.183 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@@]12CCN(C[C@H]1CCC(=O)N1)C2=O ZINC001274061640 782134045 /nfs/dbraw/zinc/13/40/45/782134045.db2.gz KHEACCMLPCUVDC-YGRLFVJLSA-N 1 2 294.355 -1.183 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@@]12CCN(C1COC1)C2=O ZINC001274061377 782134512 /nfs/dbraw/zinc/13/45/12/782134512.db2.gz HKQOPSLKDOTXPW-LBPRGKRZSA-N 1 2 253.302 -1.063 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@@]12CCN(C1COC1)C2=O ZINC001274061377 782134514 /nfs/dbraw/zinc/13/45/14/782134514.db2.gz HKQOPSLKDOTXPW-LBPRGKRZSA-N 1 2 253.302 -1.063 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@]2(C1)CN(Cc1cnoc1)C(=O)CO2 ZINC001274061694 782134546 /nfs/dbraw/zinc/13/45/46/782134546.db2.gz LQEBZJKJZVSAJS-ZDUSSCGKSA-N 1 2 294.311 -1.037 20 0 CAADLO NC(=O)C[N@H+]1CC[C@]2(C1)CN(Cc1cnoc1)C(=O)CO2 ZINC001274061694 782134551 /nfs/dbraw/zinc/13/45/51/782134551.db2.gz LQEBZJKJZVSAJS-ZDUSSCGKSA-N 1 2 294.311 -1.037 20 0 CAADLO COCCCN1C[C@@]2(CC[N@H+](CC(N)=O)C2)OCC1=O ZINC001274062373 782134637 /nfs/dbraw/zinc/13/46/37/782134637.db2.gz PGOASURREKZNFO-ZDUSSCGKSA-N 1 2 285.344 -1.189 20 0 CAADLO COCCCN1C[C@@]2(CC[N@@H+](CC(N)=O)C2)OCC1=O ZINC001274062373 782134642 /nfs/dbraw/zinc/13/46/42/782134642.db2.gz PGOASURREKZNFO-ZDUSSCGKSA-N 1 2 285.344 -1.189 20 0 CAADLO CC[C@@H](C(N)=O)N1CC2(C[NH+](C[C@H](C)CO)C2)OCC1=O ZINC001274068159 782135422 /nfs/dbraw/zinc/13/54/22/782135422.db2.gz BSXHTXLYWIAJPN-QWRGUYRKSA-N 1 2 299.371 -1.208 20 0 CAADLO CC[C@H](C(N)=O)N1C(=O)COCC12C[NH+](C[C@H](C)CO)C2 ZINC001274069054 782135568 /nfs/dbraw/zinc/13/55/68/782135568.db2.gz SIXNAUWVOFQYLP-WDEREUQCSA-N 1 2 299.371 -1.208 20 0 CAADLO C[C@@H](NS(C)(=O)=O)C(=O)OCC[NH+]1CCOCC1 ZINC000758497703 582146494 /nfs/dbraw/zinc/14/64/94/582146494.db2.gz XUEOKCUQLRZQDK-SECBINFHSA-N 1 2 280.346 -1.201 20 0 CAADLO CCOCCNC(=O)C(=O)N(C)CC[NH+]1CCOCC1 ZINC000340072347 519924737 /nfs/dbraw/zinc/92/47/37/519924737.db2.gz ISWBHRCGNFGNDM-UHFFFAOYSA-N 1 2 287.360 -1.070 20 0 CAADLO CNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ncn(C)n1)C2 ZINC001095384800 782139463 /nfs/dbraw/zinc/13/94/63/782139463.db2.gz RJCWMSZYDIHSGS-UTLUCORTSA-N 1 2 292.343 -1.104 20 0 CAADLO CNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ncn(C)n1)C2 ZINC001095384800 782139470 /nfs/dbraw/zinc/13/94/70/782139470.db2.gz RJCWMSZYDIHSGS-UTLUCORTSA-N 1 2 292.343 -1.104 20 0 CAADLO CC(C)(C)n1nnnc1C[NH2+]C/C=C\CNC(=O)C(N)=O ZINC001274325249 782143357 /nfs/dbraw/zinc/14/33/57/782143357.db2.gz LLKFQENBPQMQIJ-PLNGDYQASA-N 1 2 295.347 -1.325 20 0 CAADLO C[C@@H]([NH2+]C/C=C/CNC(=O)C(N)=O)c1nnnn1C1CC1 ZINC001274326328 782143746 /nfs/dbraw/zinc/14/37/46/782143746.db2.gz VFCOCOLIPSMRQL-UFUPEUMYSA-N 1 2 293.331 -1.184 20 0 CAADLO CCn1ncnc1C[NH2+]C/C=C/CNC(=O)C(N)=O ZINC001274326028 782143882 /nfs/dbraw/zinc/14/38/82/782143882.db2.gz SEDRRUHBDULKRO-ONEGZZNKSA-N 1 2 266.305 -1.455 20 0 CAADLO C[C@@H]([NH2+]CC1(O)CCN(C(=O)CC(N)=O)CC1)C(N)=O ZINC001274502233 782148240 /nfs/dbraw/zinc/14/82/40/782148240.db2.gz SNUYVEMXBWXDTJ-MRVPVSSYSA-N 1 2 286.332 -2.321 20 0 CAADLO C[C@H]([NH2+]CC1(O)CCN(C(=O)CC(N)=O)CC1)C(N)=O ZINC001274502235 782148327 /nfs/dbraw/zinc/14/83/27/782148327.db2.gz SNUYVEMXBWXDTJ-QMMMGPOBSA-N 1 2 286.332 -2.321 20 0 CAADLO C[N@H+]1C[C@H]2CN(C(=O)c3cncc(=O)[nH]3)C[C@@H](C1)O2 ZINC001274478620 782148368 /nfs/dbraw/zinc/14/83/68/782148368.db2.gz ZXFWHWFNHOXDNJ-DTORHVGOSA-N 1 2 264.285 -1.075 20 0 CAADLO Cn1cc(C(=O)N2CCC(O)(C[NH2+]CCO)CC2)cn1 ZINC001274495120 782148399 /nfs/dbraw/zinc/14/83/99/782148399.db2.gz WSKCUVACTPMKON-UHFFFAOYSA-N 1 2 282.344 -1.031 20 0 CAADLO C[C@@H](O)C[NH2+]C/C=C\CNC(=O)CCn1cnnn1 ZINC001274464855 782148419 /nfs/dbraw/zinc/14/84/19/782148419.db2.gz RGNQNAYPRINDJX-MXQLGCADSA-N 1 2 268.321 -1.294 20 0 CAADLO C[C@@H]1OCC[C@H]1C(=O)NC/C=C\C[NH2+]CC(=O)NC(N)=O ZINC001274463730 782148448 /nfs/dbraw/zinc/14/84/48/782148448.db2.gz IKACGYLHROFSJZ-YLBDSCSXSA-N 1 2 298.343 -1.132 20 0 CAADLO CC(=O)N1CCC(O)(C[NH2+]CCOCCO)CC1 ZINC001274486878 782148527 /nfs/dbraw/zinc/14/85/27/782148527.db2.gz ITEZECJQYQJVBG-UHFFFAOYSA-N 1 2 260.334 -1.042 20 0 CAADLO Cn1c[nH+]c([C@@H]2CN(C(=O)COCCO)C[C@H]2C(N)=O)c1 ZINC001274431657 782147147 /nfs/dbraw/zinc/14/71/47/782147147.db2.gz ARCHGOFHMQPBCN-NXEZZACHSA-N 1 2 296.327 -1.544 20 0 CAADLO CC(C)(C)[C@@H](NC(N)=O)C(=O)NC/C=C/C[NH2+]CC(N)=O ZINC001274499623 782148610 /nfs/dbraw/zinc/14/86/10/782148610.db2.gz WXJSPHCJRPYTPP-YEZKRMTDSA-N 1 2 299.375 -1.183 20 0 CAADLO CC[C@@H](O)C[NH+]1CC2(C1)COCC(=O)N2[C@H](CC)C(N)=O ZINC001274553502 782149906 /nfs/dbraw/zinc/14/99/06/782149906.db2.gz RWFCKRUTPIWHJL-GHMZBOCLSA-N 1 2 299.371 -1.066 20 0 CAADLO Cn1ncc(C[NH2+]C/C=C\CNC(=O)CCNC(N)=O)n1 ZINC001274560219 782149958 /nfs/dbraw/zinc/14/99/58/782149958.db2.gz SLQQUUHJFIWZFC-IHWYPQMZSA-N 1 2 295.347 -1.365 20 0 CAADLO CCNC(=O)CN1CC2(C[NH+](C[C@H](O)CC)C2)OCC1=O ZINC001274552529 782150067 /nfs/dbraw/zinc/15/00/67/782150067.db2.gz IWIIVROIWWFLRO-LLVKDONJSA-N 1 2 299.371 -1.193 20 0 CAADLO CC[C@@H](O)C[NH+]1CC2(C1)CN([C@H](CC)C(N)=O)C(=O)CO2 ZINC001274553562 782150559 /nfs/dbraw/zinc/15/05/59/782150559.db2.gz UVXMKXBWKAJYIZ-GHMZBOCLSA-N 1 2 299.371 -1.066 20 0 CAADLO Cc1cn(C(C)(C)C(=O)NCCN(C)C(=O)C(N)=O)c[nH+]1 ZINC001296131088 782154799 /nfs/dbraw/zinc/15/47/99/782154799.db2.gz YLYCRYCNRVFKRH-UHFFFAOYSA-N 1 2 295.343 -1.013 20 0 CAADLO COCCS(=O)(=O)CC(=O)N[C@H](CO)C[NH+](C)C ZINC000819824372 582178205 /nfs/dbraw/zinc/17/82/05/582178205.db2.gz KCSQXQPFZMGLQA-VIFPVBQESA-N 1 2 282.362 -1.914 20 0 CAADLO O=C(C[NH+]1CCCC1)NN1CCS(=O)(=O)CC1 ZINC000824899340 582187633 /nfs/dbraw/zinc/18/76/33/582187633.db2.gz XFDJAAVAASWUCW-UHFFFAOYSA-N 1 2 261.347 -1.156 20 0 CAADLO NS(=O)(=O)N1CC[NH+](C[C@@H]2CCC(=O)N2)CC1 ZINC000844298089 582216495 /nfs/dbraw/zinc/21/64/95/582216495.db2.gz WHPNUPWJWGLDKV-QMMMGPOBSA-N 1 2 262.335 -1.914 20 0 CAADLO CC(C)(O)C[C@@H](O)C[NH+]1CC(NS(C)(=O)=O)C1 ZINC000871985404 582258771 /nfs/dbraw/zinc/25/87/71/582258771.db2.gz OOZAJCYVSNWPMO-SECBINFHSA-N 1 2 266.363 -1.258 20 0 CAADLO CCOC(=O)C[C@H](O)C(=O)N1CC[NH+](CCO)CC1 ZINC000339248412 520890482 /nfs/dbraw/zinc/89/04/82/520890482.db2.gz KMNIUDYKBCYXCH-JTQLQIEISA-N 1 2 274.317 -1.563 20 0 CAADLO COCC[C@@H](CO)NC(=O)C[N@H+](C)CC(=O)NC(C)C ZINC000357684799 521806720 /nfs/dbraw/zinc/80/67/20/521806720.db2.gz FYTPFFWSUUSLHH-NSHDSACASA-N 1 2 289.376 -1.044 20 0 CAADLO COCC[C@@H](CO)NC(=O)C[N@@H+](C)CC(=O)NC(C)C ZINC000357684799 521806729 /nfs/dbraw/zinc/80/67/29/521806729.db2.gz FYTPFFWSUUSLHH-NSHDSACASA-N 1 2 289.376 -1.044 20 0 CAADLO COC(=O)C[C@H]1C[N@H+](CCC(=O)NC(N)=O)CCO1 ZINC000148835051 533730018 /nfs/dbraw/zinc/73/00/18/533730018.db2.gz CAPXDHQMRHNNFD-QMMMGPOBSA-N 1 2 273.289 -1.165 20 0 CAADLO COC(=O)C[C@H]1C[N@@H+](CCC(=O)NC(N)=O)CCO1 ZINC000148835051 533730024 /nfs/dbraw/zinc/73/00/24/533730024.db2.gz CAPXDHQMRHNNFD-QMMMGPOBSA-N 1 2 273.289 -1.165 20 0 CAADLO COC(=O)C[C@H]1C[N@H+](CCCS(N)(=O)=O)CCO1 ZINC000494933428 533732542 /nfs/dbraw/zinc/73/25/42/533732542.db2.gz UYUFNXRRELYTFS-VIFPVBQESA-N 1 2 280.346 -1.071 20 0 CAADLO COC(=O)C[C@H]1C[N@@H+](CCCS(N)(=O)=O)CCO1 ZINC000494933428 533732552 /nfs/dbraw/zinc/73/25/52/533732552.db2.gz UYUFNXRRELYTFS-VIFPVBQESA-N 1 2 280.346 -1.071 20 0 CAADLO CNS(=O)(=O)NCC(=O)NCCCn1cc[nH+]c1 ZINC000339234758 522221997 /nfs/dbraw/zinc/22/19/97/522221997.db2.gz XVUROELGKHSLGQ-UHFFFAOYSA-N 1 2 275.334 -1.557 20 0 CAADLO C[C@H]1CN(C(=O)C(=O)NC2CC2)CC[N@@H+]1CCO ZINC000426060122 533805455 /nfs/dbraw/zinc/80/54/55/533805455.db2.gz GXVNRFDTKSSVNS-VIFPVBQESA-N 1 2 255.318 -1.210 20 0 CAADLO C[C@H]1CN(C(=O)C(=O)NC2CC2)CC[N@H+]1CCO ZINC000426060122 533805458 /nfs/dbraw/zinc/80/54/58/533805458.db2.gz GXVNRFDTKSSVNS-VIFPVBQESA-N 1 2 255.318 -1.210 20 0 CAADLO C[C@H]1CN(C(=O)C(=O)NCC(F)F)CC[N@@H+]1CCO ZINC000444371357 533808453 /nfs/dbraw/zinc/80/84/53/533808453.db2.gz GSFXVCDZMDISRG-QMMMGPOBSA-N 1 2 279.287 -1.107 20 0 CAADLO C[C@H]1CN(C(=O)C(=O)NCC(F)F)CC[N@H+]1CCO ZINC000444371357 533808458 /nfs/dbraw/zinc/80/84/58/533808458.db2.gz GSFXVCDZMDISRG-QMMMGPOBSA-N 1 2 279.287 -1.107 20 0 CAADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)Cn1ncn(C)c1=O ZINC000179431050 533861017 /nfs/dbraw/zinc/86/10/17/533861017.db2.gz LBPUPTZNBNNEKN-JTQLQIEISA-N 1 2 283.332 -1.581 20 0 CAADLO CN1CC[C@H]([N@H+](C)CC(=O)N2CCNC(=O)C2)C1=O ZINC000265653440 522441741 /nfs/dbraw/zinc/44/17/41/522441741.db2.gz PBZPZNSEJUPCHN-VIFPVBQESA-N 1 2 268.317 -1.893 20 0 CAADLO CN1CC[C@H]([N@@H+](C)CC(=O)N2CCNC(=O)C2)C1=O ZINC000265653440 522441751 /nfs/dbraw/zinc/44/17/51/522441751.db2.gz PBZPZNSEJUPCHN-VIFPVBQESA-N 1 2 268.317 -1.893 20 0 CAADLO O=C(Cc1[nH]cc[nH+]1)NCCNC(=O)[C@@H]1COC(=O)N1 ZINC001292690240 782157888 /nfs/dbraw/zinc/15/78/88/782157888.db2.gz ZAHBJMSNJUQDDD-ZETCQYMHSA-N 1 2 281.272 -1.707 20 0 CAADLO C[C@H]1C[N@H+](CC(=O)N2CCOCC2)C[C@H](CO)O1 ZINC000191769773 533909557 /nfs/dbraw/zinc/90/95/57/533909557.db2.gz KSCJQKZUNJVQFO-WDEREUQCSA-N 1 2 258.318 -1.073 20 0 CAADLO C[C@H]1C[N@@H+](CC(=O)N2CCOCC2)C[C@H](CO)O1 ZINC000191769773 533909568 /nfs/dbraw/zinc/90/95/68/533909568.db2.gz KSCJQKZUNJVQFO-WDEREUQCSA-N 1 2 258.318 -1.073 20 0 CAADLO C[C@@H](CNC(=O)Cn1ncn(C)c1=O)[NH+]1CCOCC1 ZINC000179421887 533909965 /nfs/dbraw/zinc/90/99/65/533909965.db2.gz JCEJBTLDRHOYQO-JTQLQIEISA-N 1 2 283.332 -1.581 20 0 CAADLO COC(=O)NCC(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C ZINC000493403958 534031993 /nfs/dbraw/zinc/03/19/93/534031993.db2.gz ANCCNCMECCXWCL-BDAKNGLRSA-N 1 2 257.290 -1.116 20 0 CAADLO COC(=O)NCC(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C ZINC000493403958 534031998 /nfs/dbraw/zinc/03/19/98/534031998.db2.gz ANCCNCMECCXWCL-BDAKNGLRSA-N 1 2 257.290 -1.116 20 0 CAADLO COC(=O)NCC(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000178734058 534036010 /nfs/dbraw/zinc/03/60/10/534036010.db2.gz JYBDXACCSUWIQA-SECBINFHSA-N 1 2 256.306 -1.542 20 0 CAADLO COC(=O)NCC(=O)N[C@@H](CO)C[NH+]1CCOCC1 ZINC000495610272 534040174 /nfs/dbraw/zinc/04/01/74/534040174.db2.gz CBJJUKLTBSUNHI-SECBINFHSA-N 1 2 275.305 -1.848 20 0 CAADLO C[C@H](O)C(=O)N1CC[NH+]([C@@H]2CCN(C)C2=O)CC1 ZINC000153187621 534041740 /nfs/dbraw/zinc/04/17/40/534041740.db2.gz VGQDFBRIZROFEE-VHSXEESVSA-N 1 2 255.318 -1.258 20 0 CAADLO COC(=O)NCC(=O)N[C@H](CO)C[NH+]1CCOCC1 ZINC000495610273 534043333 /nfs/dbraw/zinc/04/33/33/534043333.db2.gz CBJJUKLTBSUNHI-VIFPVBQESA-N 1 2 275.305 -1.848 20 0 CAADLO C[C@H](CN1CCCC1=O)NC(=O)CN1CC[NH2+]CC1=O ZINC000429971924 534053487 /nfs/dbraw/zinc/05/34/87/534053487.db2.gz FQUGCXIPPMLKEI-SNVBAGLBSA-N 1 2 282.344 -1.455 20 0 CAADLO C[C@H](C[NH+]1CCOCC1)NC(=O)NCCC(N)=O ZINC000193209198 534062634 /nfs/dbraw/zinc/06/26/34/534062634.db2.gz CSDIBPUXFSTTBU-SECBINFHSA-N 1 2 258.322 -1.118 20 0 CAADLO C[C@H](C[NH+]1CCOCC1)NC(=O)[C@H]1COC(=O)N1 ZINC000495597417 534065454 /nfs/dbraw/zinc/06/54/54/534065454.db2.gz NFPOPJOSHBXLHB-RKDXNWHRSA-N 1 2 257.290 -1.068 20 0 CAADLO C[C@H](O)CN1C(=O)C(=O)N(CCC[NH+]2CCOCC2)C1=O ZINC000440602511 534073081 /nfs/dbraw/zinc/07/30/81/534073081.db2.gz YYAFFEWQYFAIKT-JTQLQIEISA-N 1 2 299.327 -1.120 20 0 CAADLO C[C@@H]1OC(=O)N[C@@H]1C(=O)N1CC[NH+](CCO)CC1 ZINC000496461515 534132444 /nfs/dbraw/zinc/13/24/44/534132444.db2.gz OCTXKZNWGXRGCG-IUCAKERBSA-N 1 2 257.290 -1.380 20 0 CAADLO C[C@@H]1OC(=O)N[C@@H]1C(=O)NCC[NH+]1CCOCC1 ZINC000495856682 534134929 /nfs/dbraw/zinc/13/49/29/534134929.db2.gz SYRGWBDZBGWLQY-IUCAKERBSA-N 1 2 257.290 -1.068 20 0 CAADLO COC(=O)N[C@@H](C)C(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000494300805 534153170 /nfs/dbraw/zinc/15/31/70/534153170.db2.gz WRDAHDARFJGVQE-VHSXEESVSA-N 1 2 270.333 -1.153 20 0 CAADLO COC(=O)[C@@H](C)CNC(=O)CN1CC[NH2+]CC1=O ZINC000430235533 534214019 /nfs/dbraw/zinc/21/40/19/534214019.db2.gz DNGWVJPYJRFVRE-QMMMGPOBSA-N 1 2 257.290 -1.657 20 0 CAADLO C[C@@]1(C(N)=O)CCCC[N@@H+]1CC(=O)N1CCNC(=O)C1 ZINC000185955636 534264800 /nfs/dbraw/zinc/26/48/00/534264800.db2.gz NFMWJUYIQCQNQF-ZDUSSCGKSA-N 1 2 282.344 -1.325 20 0 CAADLO C[C@@]1(C(N)=O)CCCC[N@H+]1CC(=O)N1CCNC(=O)C1 ZINC000185955636 534264803 /nfs/dbraw/zinc/26/48/03/534264803.db2.gz NFMWJUYIQCQNQF-ZDUSSCGKSA-N 1 2 282.344 -1.325 20 0 CAADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)CN1CCNCC1=O ZINC000430677255 534271890 /nfs/dbraw/zinc/27/18/90/534271890.db2.gz FZDBNMWUQJOPPS-JTQLQIEISA-N 1 2 265.317 -1.180 20 0 CAADLO C[C@@H](Cn1ccnc1)NC(=O)CN1CC[NH2+]CC1=O ZINC000430677255 534271894 /nfs/dbraw/zinc/27/18/94/534271894.db2.gz FZDBNMWUQJOPPS-JTQLQIEISA-N 1 2 265.317 -1.180 20 0 CAADLO COC(=O)[C@@H](NC(=O)CN1CC[NH2+]CC1=O)C1CC1 ZINC000430003774 534270700 /nfs/dbraw/zinc/27/07/00/534270700.db2.gz DPXIXYZHELHAEV-NSHDSACASA-N 1 2 269.301 -1.514 20 0 CAADLO COC(=O)[C@@H](NC(=O)CN1CC[NH2+]CC1=O)C(C)C ZINC000429744959 534270814 /nfs/dbraw/zinc/27/08/14/534270814.db2.gz PRIIUKBTLAMIID-NSHDSACASA-N 1 2 271.317 -1.268 20 0 CAADLO C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2C[N@H+](C)CCO2)C[C@H]1CO ZINC000358156329 534293234 /nfs/dbraw/zinc/29/32/34/534293234.db2.gz PXZZWBYERVRSRR-GRYCIOLGSA-N 1 2 299.371 -1.480 20 0 CAADLO C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2C[N@@H+](C)CCO2)C[C@H]1CO ZINC000358156329 534293236 /nfs/dbraw/zinc/29/32/36/534293236.db2.gz PXZZWBYERVRSRR-GRYCIOLGSA-N 1 2 299.371 -1.480 20 0 CAADLO C[C@@H]1CN(C(=O)C(=O)NC[C@H]2C[N@H+](C)CCO2)C[C@H]1CO ZINC000358156362 534293702 /nfs/dbraw/zinc/29/37/02/534293702.db2.gz PXZZWBYERVRSRR-WOPDTQHZSA-N 1 2 299.371 -1.480 20 0 CAADLO C[C@@H]1CN(C(=O)C(=O)NC[C@H]2C[N@@H+](C)CCO2)C[C@H]1CO ZINC000358156362 534293704 /nfs/dbraw/zinc/29/37/04/534293704.db2.gz PXZZWBYERVRSRR-WOPDTQHZSA-N 1 2 299.371 -1.480 20 0 CAADLO C[C@@H]1CN(C(=O)C[N@H+]2C[C@@H](O)[C@@H](O)C2)C[C@@H](C)O1 ZINC000093092082 534304482 /nfs/dbraw/zinc/30/44/82/534304482.db2.gz GIDXKLUXIGCUEY-DBIOUOCHSA-N 1 2 258.318 -1.340 20 0 CAADLO C[C@@H]1CN(C(=O)C[N@@H+]2C[C@@H](O)[C@@H](O)C2)C[C@@H](C)O1 ZINC000093092082 534304483 /nfs/dbraw/zinc/30/44/83/534304483.db2.gz GIDXKLUXIGCUEY-DBIOUOCHSA-N 1 2 258.318 -1.340 20 0 CAADLO NC(=O)CC[C@@H]1CCCN(C(=O)CN2CC[NH2+]CC2=O)C1 ZINC000429915424 534318636 /nfs/dbraw/zinc/31/86/36/534318636.db2.gz BLQPKKAZIUIGOY-NSHDSACASA-N 1 2 296.371 -1.078 20 0 CAADLO CNS(=O)(=O)C1CC[NH+]([C@@H]2CC(=O)N(C)C2=O)CC1 ZINC000569135841 517974660 /nfs/dbraw/zinc/97/46/60/517974660.db2.gz LGUHJYDZGITSDD-SECBINFHSA-N 1 2 289.357 -1.243 20 0 CAADLO Cn1nnc(CN2CC[NH+](CC(=O)NC3CC3)CC2)n1 ZINC000192961917 534328359 /nfs/dbraw/zinc/32/83/59/534328359.db2.gz GWGLXBQVKOPORP-UHFFFAOYSA-N 1 2 279.348 -1.394 20 0 CAADLO Cn1nnc(CN2CC[NH+](CC(=O)N3CCCC3)CC2)n1 ZINC000192961777 534329337 /nfs/dbraw/zinc/32/93/37/534329337.db2.gz MMWSOSBFQHRKQO-UHFFFAOYSA-N 1 2 293.375 -1.050 20 0 CAADLO O=C(NCC[NH+]1CCOCC1)N1CCNC(=O)C1 ZINC000048731104 534338440 /nfs/dbraw/zinc/33/84/40/534338440.db2.gz DCFKPDSZRVHBOI-UHFFFAOYSA-N 1 2 256.306 -1.540 20 0 CAADLO Cn1nncc1S(=O)(=O)N1CC[NH+](CCCO)CC1 ZINC000440061876 534364615 /nfs/dbraw/zinc/36/46/15/534364615.db2.gz LRQAFEFJXRTTCD-UHFFFAOYSA-N 1 2 289.361 -1.496 20 0 CAADLO O=C(NCCO)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000057420278 534365145 /nfs/dbraw/zinc/36/51/45/534365145.db2.gz XFHUODMINIXMOE-UHFFFAOYSA-N 1 2 294.359 -1.110 20 0 CAADLO Cn1nncc1S(=O)(=O)NCC[N@@H+]1CCCOCC1 ZINC000330075234 534367051 /nfs/dbraw/zinc/36/70/51/534367051.db2.gz DEVAGPDKLZWJBW-UHFFFAOYSA-N 1 2 289.361 -1.184 20 0 CAADLO Cn1nncc1S(=O)(=O)NCC[N@H+]1CCCOCC1 ZINC000330075234 534367061 /nfs/dbraw/zinc/36/70/61/534367061.db2.gz DEVAGPDKLZWJBW-UHFFFAOYSA-N 1 2 289.361 -1.184 20 0 CAADLO NC(=O)Cn1cc(C(=O)NC[C@H]2C[NH+]3CCN2CC3)nn1 ZINC000178725420 534369738 /nfs/dbraw/zinc/36/97/38/534369738.db2.gz AIJNALSQEFOYAY-VIFPVBQESA-N 1 2 293.331 -2.507 20 0 CAADLO NC(=O)Cn1cc(C(=O)Nc2cc[nH+]cc2O)nn1 ZINC000358322549 534369944 /nfs/dbraw/zinc/36/99/44/534369944.db2.gz CVCQMPTZTCQBMV-UHFFFAOYSA-N 1 2 262.229 -1.462 20 0 CAADLO NC(=O)NC(=O)C[NH+]1CCN(c2cccnn2)CC1 ZINC000170650588 534384212 /nfs/dbraw/zinc/38/42/12/534384212.db2.gz PFXOVEDRGOZQCE-UHFFFAOYSA-N 1 2 264.289 -1.207 20 0 CAADLO NC(=O)NC(=O)OCCC[NH+]1CCN(C(=O)CO)CC1 ZINC000494677061 534388037 /nfs/dbraw/zinc/38/80/37/534388037.db2.gz PETHDLRJDPXTJB-UHFFFAOYSA-N 1 2 288.304 -1.682 20 0 CAADLO NC(=O)NC(=O)C[N@@H+]1CCN2C(=O)OCC[C@H]2C1 ZINC000494130888 534385319 /nfs/dbraw/zinc/38/53/19/534385319.db2.gz DBRMOUBZNOZZBG-ZETCQYMHSA-N 1 2 256.262 -1.292 20 0 CAADLO NC(=O)NC(=O)C[N@H+]1CCN2C(=O)OCC[C@H]2C1 ZINC000494130888 534385329 /nfs/dbraw/zinc/38/53/29/534385329.db2.gz DBRMOUBZNOZZBG-ZETCQYMHSA-N 1 2 256.262 -1.292 20 0 CAADLO NC(=O)NC(=O)C[N@@H+]1CCN2C(=O)OCC[C@@H]2C1 ZINC000494130887 534385558 /nfs/dbraw/zinc/38/55/58/534385558.db2.gz DBRMOUBZNOZZBG-SSDOTTSWSA-N 1 2 256.262 -1.292 20 0 CAADLO NC(=O)NC(=O)C[N@H+]1CCN2C(=O)OCC[C@@H]2C1 ZINC000494130887 534385564 /nfs/dbraw/zinc/38/55/64/534385564.db2.gz DBRMOUBZNOZZBG-SSDOTTSWSA-N 1 2 256.262 -1.292 20 0 CAADLO NC(=O)NC[C@@H]1CCCCN1C(=O)CN1CC[NH2+]CC1=O ZINC000430235867 534396053 /nfs/dbraw/zinc/39/60/53/534396053.db2.gz FSUSERRGZWTCHS-JTQLQIEISA-N 1 2 297.359 -1.532 20 0 CAADLO COCc1noc(C[NH2+]C[C@@H](C)NC(=O)C(N)=O)n1 ZINC001274901340 782161730 /nfs/dbraw/zinc/16/17/30/782161730.db2.gz YJJYPORYZKGIQC-ZCFIWIBFSA-N 1 2 271.277 -1.704 20 0 CAADLO CCCCn1nnnc1C[NH2+]C[C@@H](C)NC(=O)C(N)=O ZINC001274900613 782161680 /nfs/dbraw/zinc/16/16/80/782161680.db2.gz GNQXANYFWRMAME-MRVPVSSYSA-N 1 2 283.336 -1.447 20 0 CAADLO CC(C)(CNC(=O)NC(CO)CO)[NH+]1CCOCC1 ZINC000340851189 519249534 /nfs/dbraw/zinc/24/95/34/519249534.db2.gz OBMHJZVXIFUKFB-UHFFFAOYSA-N 1 2 275.349 -1.250 20 0 CAADLO NC(=O)[C@@H](NC(=O)CN1CC[NH2+]CC1=O)c1ccccc1 ZINC000429818948 534415548 /nfs/dbraw/zinc/41/55/48/534415548.db2.gz SEYRYMGOALFMTC-ZDUSSCGKSA-N 1 2 290.323 -1.239 20 0 CAADLO O[C@@H]1CN(c2cc(N3CCOCC3)[nH+]cn2)C[C@@H]1O ZINC000433809704 534416861 /nfs/dbraw/zinc/41/68/61/534416861.db2.gz WLGQRBSBMDWIDR-AOOOYVTPSA-N 1 2 266.301 -1.145 20 0 CAADLO O[C@@H]1CN(c2cc(N3CCOCC3)nc[nH+]2)C[C@@H]1O ZINC000433809704 534416869 /nfs/dbraw/zinc/41/68/69/534416869.db2.gz WLGQRBSBMDWIDR-AOOOYVTPSA-N 1 2 266.301 -1.145 20 0 CAADLO NC(=O)[C@@H]1CC[C@H](CNC(=O)CN2CC[NH2+]CC2=O)O1 ZINC000430854998 534438843 /nfs/dbraw/zinc/43/88/43/534438843.db2.gz PNWQRBJIZZCERJ-BDAKNGLRSA-N 1 2 284.316 -2.433 20 0 CAADLO CC(C)N1C(=O)C[C@@H](NC(=O)[C@@H]2COCC[NH2+]2)C1=O ZINC000262648391 519665827 /nfs/dbraw/zinc/66/58/27/519665827.db2.gz VSXQSNNUSHTALC-BDAKNGLRSA-N 1 2 269.301 -1.373 20 0 CAADLO CC(C)Nc1nc(NCCO)[nH+]c(NC[C@H]2CCCO2)n1 ZINC000339975220 519699342 /nfs/dbraw/zinc/69/93/42/519699342.db2.gz FODLZDNCMASSMA-SNVBAGLBSA-N 1 2 296.375 -1.047 20 0 CAADLO CC(C)Nc1nc(NC[C@H]2CCCO2)nc(NCCO)[nH+]1 ZINC000339975220 519699355 /nfs/dbraw/zinc/69/93/55/519699355.db2.gz FODLZDNCMASSMA-SNVBAGLBSA-N 1 2 296.375 -1.047 20 0 CAADLO CC(C)Nc1nc(NCCO)nc(NC[C@H]2CCCO2)[nH+]1 ZINC000339975220 519699357 /nfs/dbraw/zinc/69/93/57/519699357.db2.gz FODLZDNCMASSMA-SNVBAGLBSA-N 1 2 296.375 -1.047 20 0 CAADLO CC(C)Nc1nc(NCCO)[nH+]c(NCC[C@@H](C)O)n1 ZINC000340021082 519699382 /nfs/dbraw/zinc/69/93/82/519699382.db2.gz ZPKJGCFCPDJSDH-SECBINFHSA-N 1 2 284.364 -1.455 20 0 CAADLO CC(C)Nc1nc(NCCO)nc(NCC[C@@H](C)O)[nH+]1 ZINC000340021082 519699386 /nfs/dbraw/zinc/69/93/86/519699386.db2.gz ZPKJGCFCPDJSDH-SECBINFHSA-N 1 2 284.364 -1.455 20 0 CAADLO CC(C)Nc1nc(NCC[C@@H](C)O)nc(NCCO)[nH+]1 ZINC000340021082 519699387 /nfs/dbraw/zinc/69/93/87/519699387.db2.gz ZPKJGCFCPDJSDH-SECBINFHSA-N 1 2 284.364 -1.455 20 0 CAADLO CC(C)Nc1nc(N2CCC[C@H](O)C2)nc(NCCO)[nH+]1 ZINC000339974302 519699479 /nfs/dbraw/zinc/69/94/79/519699479.db2.gz XEFHWCPUDYJSJG-JTQLQIEISA-N 1 2 296.375 -1.099 20 0 CAADLO CC(C)Nc1nc(NCCO)[nH+]c(N2CCC[C@H](O)C2)n1 ZINC000339974302 519699483 /nfs/dbraw/zinc/69/94/83/519699483.db2.gz XEFHWCPUDYJSJG-JTQLQIEISA-N 1 2 296.375 -1.099 20 0 CAADLO CC(C)Nc1nc(NCCO)nc(N2CCC[C@H](O)C2)[nH+]1 ZINC000339974302 519699487 /nfs/dbraw/zinc/69/94/87/519699487.db2.gz XEFHWCPUDYJSJG-JTQLQIEISA-N 1 2 296.375 -1.099 20 0 CAADLO CC(C)Nc1nc(N2CCC[C@@H](O)C2)nc(NCCO)[nH+]1 ZINC000339974303 519699535 /nfs/dbraw/zinc/69/95/35/519699535.db2.gz XEFHWCPUDYJSJG-SNVBAGLBSA-N 1 2 296.375 -1.099 20 0 CAADLO CC(C)Nc1nc(NCCO)[nH+]c(N2CCC[C@@H](O)C2)n1 ZINC000339974303 519699538 /nfs/dbraw/zinc/69/95/38/519699538.db2.gz XEFHWCPUDYJSJG-SNVBAGLBSA-N 1 2 296.375 -1.099 20 0 CAADLO CC(C)Nc1nc(NCCO)nc(N2CCC[C@@H](O)C2)[nH+]1 ZINC000339974303 519699541 /nfs/dbraw/zinc/69/95/41/519699541.db2.gz XEFHWCPUDYJSJG-SNVBAGLBSA-N 1 2 296.375 -1.099 20 0 CAADLO CC(C)NS(=O)(=O)NCCNC(=O)Cn1cc[nH+]c1 ZINC000277591348 519732200 /nfs/dbraw/zinc/73/22/00/519732200.db2.gz PFIFWZDEWPGBKJ-UHFFFAOYSA-N 1 2 289.361 -1.168 20 0 CAADLO CC(C)[C@@H]1C(=O)NCC[N@H+]1CC(=O)N1CCNC1=O ZINC000066498520 519801675 /nfs/dbraw/zinc/80/16/75/519801675.db2.gz SNLLPULNJMCKIF-SNVBAGLBSA-N 1 2 268.317 -1.005 20 0 CAADLO CC(C)[C@@H]1C(=O)NCC[N@@H+]1CC(=O)N1CCNC1=O ZINC000066498520 519801676 /nfs/dbraw/zinc/80/16/76/519801676.db2.gz SNLLPULNJMCKIF-SNVBAGLBSA-N 1 2 268.317 -1.005 20 0 CAADLO CC(C)[C@H]1C(=O)NCC[N@H+]1CCN1C(=O)CNC1=O ZINC000066498814 519824333 /nfs/dbraw/zinc/82/43/33/519824333.db2.gz XNMPBDXYXMTRDK-JTQLQIEISA-N 1 2 268.317 -1.005 20 0 CAADLO CC(C)[C@H]1C(=O)NCC[N@@H+]1CCN1C(=O)CNC1=O ZINC000066498814 519824334 /nfs/dbraw/zinc/82/43/34/519824334.db2.gz XNMPBDXYXMTRDK-JTQLQIEISA-N 1 2 268.317 -1.005 20 0 CAADLO CCOCCNC(=O)C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000340060836 519933183 /nfs/dbraw/zinc/93/31/83/519933183.db2.gz XMGLJDXXRKGBQJ-LLVKDONJSA-N 1 2 287.360 -1.024 20 0 CAADLO CCOCCNC(=O)C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000340060836 519933194 /nfs/dbraw/zinc/93/31/94/519933194.db2.gz XMGLJDXXRKGBQJ-LLVKDONJSA-N 1 2 287.360 -1.024 20 0 CAADLO CCOCCNC(=O)C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000340025716 519935432 /nfs/dbraw/zinc/93/54/32/519935432.db2.gz MHQBLRNVZHPKBV-LLVKDONJSA-N 1 2 287.360 -1.024 20 0 CAADLO C[C@@H]1C[N@H+](CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)C[C@H]1O ZINC000351831845 534458728 /nfs/dbraw/zinc/45/87/28/534458728.db2.gz TXLIUCVPJGRRGI-HTQZYQBOSA-N 1 2 296.327 -1.839 20 0 CAADLO C[C@@H]1C[N@@H+](CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)C[C@H]1O ZINC000351831845 534458734 /nfs/dbraw/zinc/45/87/34/534458734.db2.gz TXLIUCVPJGRRGI-HTQZYQBOSA-N 1 2 296.327 -1.839 20 0 CAADLO CCCCC[NH+](CC(=O)NC(N)=O)CC(=O)NC(N)=O ZINC000047549436 520155641 /nfs/dbraw/zinc/15/56/41/520155641.db2.gz QRIBZGFEPSXPKO-UHFFFAOYSA-N 1 2 287.320 -1.132 20 0 CAADLO CCOC(=O)CN(C)C(=O)C[N@@H+]1CCN2C(=O)NC[C@@H]2C1 ZINC000365888733 520735374 /nfs/dbraw/zinc/73/53/74/520735374.db2.gz AYCHDXBWSISQLN-SNVBAGLBSA-N 1 2 298.343 -1.283 20 0 CAADLO CCOC(=O)CN(C)C(=O)C[N@H+]1CCN2C(=O)NC[C@@H]2C1 ZINC000365888733 520735384 /nfs/dbraw/zinc/73/53/84/520735384.db2.gz AYCHDXBWSISQLN-SNVBAGLBSA-N 1 2 298.343 -1.283 20 0 CAADLO CCOC(=O)C[C@H](O)C(=O)NCC[NH+]1CCOCC1 ZINC000339237509 520893529 /nfs/dbraw/zinc/89/35/29/520893529.db2.gz SIOVEUAPFJIDIL-JTQLQIEISA-N 1 2 274.317 -1.251 20 0 CAADLO COC(=O)C[C@H]1C(=O)NCC[N@H+]1CCC(=O)NC(N)=O ZINC000341895820 536347643 /nfs/dbraw/zinc/34/76/43/536347643.db2.gz XMINAGPFXHJVHD-ZETCQYMHSA-N 1 2 286.288 -2.065 20 0 CAADLO COC(=O)C[C@H]1C(=O)NCC[N@@H+]1CCC(=O)NC(N)=O ZINC000341895820 536347647 /nfs/dbraw/zinc/34/76/47/536347647.db2.gz XMINAGPFXHJVHD-ZETCQYMHSA-N 1 2 286.288 -2.065 20 0 CAADLO O=C(CN1CC[NH2+]CC1=O)N[C@@H]1CC(=O)N(C2CC2)C1 ZINC000158991153 534538807 /nfs/dbraw/zinc/53/88/07/534538807.db2.gz LGFJWXFABYZMSK-SECBINFHSA-N 1 2 280.328 -1.702 20 0 CAADLO O=C(CN1CC[NH2+]CC1=O)N[C@@H]1CCCCNC1=O ZINC000430168968 534539018 /nfs/dbraw/zinc/53/90/18/534539018.db2.gz UXDQJTMSEIBASX-SECBINFHSA-N 1 2 268.317 -1.797 20 0 CAADLO O=C(CN1CC[NH2+]CC1=O)N[C@H]1CCCCNC1=O ZINC000430168969 534539239 /nfs/dbraw/zinc/53/92/39/534539239.db2.gz UXDQJTMSEIBASX-VIFPVBQESA-N 1 2 268.317 -1.797 20 0 CAADLO O=C(CN1CC[NH2+]CC1=O)N[C@H]1CC(=O)N(C2CC2)C1 ZINC000158991276 534539421 /nfs/dbraw/zinc/53/94/21/534539421.db2.gz LGFJWXFABYZMSK-VIFPVBQESA-N 1 2 280.328 -1.702 20 0 CAADLO O=C(C[N@@H+]1C[C@@H](O)[C@@H](O)C1)NC(=O)NCc1ccco1 ZINC000093092122 534556538 /nfs/dbraw/zinc/55/65/38/534556538.db2.gz POFGPOIMTLWGJS-AOOOYVTPSA-N 1 2 283.284 -1.357 20 0 CAADLO O=C(C[N@H+]1C[C@@H](O)[C@@H](O)C1)NC(=O)NCc1ccco1 ZINC000093092122 534556541 /nfs/dbraw/zinc/55/65/41/534556541.db2.gz POFGPOIMTLWGJS-AOOOYVTPSA-N 1 2 283.284 -1.357 20 0 CAADLO O=C(CNC(=O)C1CC(=O)C1)NCC[NH+]1CCOCC1 ZINC000347732416 534562766 /nfs/dbraw/zinc/56/27/66/534562766.db2.gz YVIFQVPHGARINY-UHFFFAOYSA-N 1 2 283.328 -1.470 20 0 CAADLO CCC[N@H+](CC(=O)NC)CC(=O)N1CCNC(=O)C1 ZINC000079485148 521544316 /nfs/dbraw/zinc/54/43/16/521544316.db2.gz VTZHRORTMXCTPU-UHFFFAOYSA-N 1 2 270.333 -1.597 20 0 CAADLO CCC[N@@H+](CC(=O)NC)CC(=O)N1CCNC(=O)C1 ZINC000079485148 521544326 /nfs/dbraw/zinc/54/43/26/521544326.db2.gz VTZHRORTMXCTPU-UHFFFAOYSA-N 1 2 270.333 -1.597 20 0 CAADLO CCNC(=O)NC(=O)C[N@H+](CCOC)[C@@H](C)C(N)=O ZINC000264428632 521740866 /nfs/dbraw/zinc/74/08/66/521740866.db2.gz WKLCFWNOMJMOAX-QMMMGPOBSA-N 1 2 274.321 -1.346 20 0 CAADLO CCNC(=O)NC(=O)C[N@@H+](CCOC)[C@@H](C)C(N)=O ZINC000264428632 521740867 /nfs/dbraw/zinc/74/08/67/521740867.db2.gz WKLCFWNOMJMOAX-QMMMGPOBSA-N 1 2 274.321 -1.346 20 0 CAADLO CN(C)S(=O)(=O)CCC(=O)NCC[NH+]1CCOCC1 ZINC000041228056 521947271 /nfs/dbraw/zinc/94/72/71/521947271.db2.gz GOENEQGKIYLTKN-UHFFFAOYSA-N 1 2 293.389 -1.284 20 0 CAADLO COC[C@@H](C(N)=O)[N@H+](C)CCCS(=O)(=O)N(C)C ZINC000339355581 522161871 /nfs/dbraw/zinc/16/18/71/522161871.db2.gz IZZHCHRKRQFIAF-VIFPVBQESA-N 1 2 281.378 -1.300 20 0 CAADLO COC[C@@H](C(N)=O)[N@@H+](C)CCCS(=O)(=O)N(C)C ZINC000339355581 522161877 /nfs/dbraw/zinc/16/18/77/522161877.db2.gz IZZHCHRKRQFIAF-VIFPVBQESA-N 1 2 281.378 -1.300 20 0 CAADLO COC[C@@H](C)NC(=O)NC(=O)C[N@@H+]1CCNC(=O)CC1 ZINC000292027470 522235883 /nfs/dbraw/zinc/23/58/83/522235883.db2.gz PUSDZNSPHZJYNH-SECBINFHSA-N 1 2 286.332 -1.331 20 0 CAADLO COC[C@@H](C)NC(=O)NC(=O)C[N@H+]1CCNC(=O)CC1 ZINC000292027470 522235891 /nfs/dbraw/zinc/23/58/91/522235891.db2.gz PUSDZNSPHZJYNH-SECBINFHSA-N 1 2 286.332 -1.331 20 0 CAADLO COC[C@@H](O)CNC(=O)NCC[NH+]1CCOCC1 ZINC000338477170 522410680 /nfs/dbraw/zinc/41/06/80/522410680.db2.gz LMSAJNWWANHOPM-JTQLQIEISA-N 1 2 261.322 -1.375 20 0 CAADLO COC[C@H](C(N)=O)[N@@H+](C)CCCS(=O)(=O)N(C)C ZINC000339355579 522540756 /nfs/dbraw/zinc/54/07/56/522540756.db2.gz IZZHCHRKRQFIAF-SECBINFHSA-N 1 2 281.378 -1.300 20 0 CAADLO COC[C@H](C(N)=O)[N@H+](C)CCCS(=O)(=O)N(C)C ZINC000339355579 522540751 /nfs/dbraw/zinc/54/07/51/522540751.db2.gz IZZHCHRKRQFIAF-SECBINFHSA-N 1 2 281.378 -1.300 20 0 CAADLO COC[C@H](C(N)=O)[N@H+](C)CCN1CCCS1(=O)=O ZINC000339359423 522541843 /nfs/dbraw/zinc/54/18/43/522541843.db2.gz JEBUOTLUJNVHJA-SECBINFHSA-N 1 2 279.362 -1.546 20 0 CAADLO COC[C@H](C(N)=O)[N@@H+](C)CCN1CCCS1(=O)=O ZINC000339359423 522541849 /nfs/dbraw/zinc/54/18/49/522541849.db2.gz JEBUOTLUJNVHJA-SECBINFHSA-N 1 2 279.362 -1.546 20 0 CAADLO COC[C@H](C)NC(=O)NC(=O)C[N@@H+]1CCNC(=O)CC1 ZINC000292027472 522610422 /nfs/dbraw/zinc/61/04/22/522610422.db2.gz PUSDZNSPHZJYNH-VIFPVBQESA-N 1 2 286.332 -1.331 20 0 CAADLO COC[C@H](C)NC(=O)NC(=O)C[N@H+]1CCNC(=O)CC1 ZINC000292027472 522610432 /nfs/dbraw/zinc/61/04/32/522610432.db2.gz PUSDZNSPHZJYNH-VIFPVBQESA-N 1 2 286.332 -1.331 20 0 CAADLO COC[C@H](O)CNC(=O)C[N@H+](C)CC(=O)NC(C)C ZINC000338678353 522790828 /nfs/dbraw/zinc/79/08/28/522790828.db2.gz DWSLTEHVSHPOGH-SNVBAGLBSA-N 1 2 275.349 -1.434 20 0 CAADLO COC[C@H](O)CNC(=O)C[N@@H+](C)CC(=O)NC(C)C ZINC000338678353 522790834 /nfs/dbraw/zinc/79/08/34/522790834.db2.gz DWSLTEHVSHPOGH-SNVBAGLBSA-N 1 2 275.349 -1.434 20 0 CAADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)CCn1ccnn1 ZINC000338407167 523015920 /nfs/dbraw/zinc/01/59/20/523015920.db2.gz HBGMWOBVECMBCS-GFCCVEGCSA-N 1 2 297.359 -1.180 20 0 CAADLO COC(=O)CCNC(=O)C[N@H+](C)[C@H]1CCN(C)C1=O ZINC000265645400 523091246 /nfs/dbraw/zinc/09/12/46/523091246.db2.gz LMFVUKFCYJTUHW-VIFPVBQESA-N 1 2 271.317 -1.172 20 0 CAADLO COC(=O)CCNC(=O)C[N@@H+](C)[C@H]1CCN(C)C1=O ZINC000265645400 523091252 /nfs/dbraw/zinc/09/12/52/523091252.db2.gz LMFVUKFCYJTUHW-VIFPVBQESA-N 1 2 271.317 -1.172 20 0 CAADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NCC1CC1 ZINC000339932846 523092484 /nfs/dbraw/zinc/09/24/84/523092484.db2.gz XJXXUCAKRJJNHF-LBPRGKRZSA-N 1 2 299.371 -1.336 20 0 CAADLO Cn1c(C[N@@H+]2CCN3C(=O)OC[C@@H]3C2)cc(=O)n(C)c1=O ZINC000493670416 534689334 /nfs/dbraw/zinc/68/93/34/534689334.db2.gz REGLOPKJDUNILI-JTQLQIEISA-N 1 2 294.311 -1.280 20 0 CAADLO Cn1c(C[N@H+]2CCN3C(=O)OC[C@@H]3C2)cc(=O)n(C)c1=O ZINC000493670416 534689336 /nfs/dbraw/zinc/68/93/36/534689336.db2.gz REGLOPKJDUNILI-JTQLQIEISA-N 1 2 294.311 -1.280 20 0 CAADLO COC(=O)CNC(=O)CC[N@@H+]1CCN(C)C(=O)C1 ZINC000265855323 523189433 /nfs/dbraw/zinc/18/94/33/523189433.db2.gz QVZGCFGAVUETJW-UHFFFAOYSA-N 1 2 257.290 -1.560 20 0 CAADLO COC(=O)CNC(=O)CC[N@H+]1CCN(C)C(=O)C1 ZINC000265855323 523189436 /nfs/dbraw/zinc/18/94/36/523189436.db2.gz QVZGCFGAVUETJW-UHFFFAOYSA-N 1 2 257.290 -1.560 20 0 CAADLO CCn1c(N)c(C(=O)C[N@H+](C)C[C@H](C)O)c(=O)[nH]c1=O ZINC000156326184 523206246 /nfs/dbraw/zinc/20/62/46/523206246.db2.gz ZJTUCRZMPDETRU-ZETCQYMHSA-N 1 2 284.316 -1.366 20 0 CAADLO CCn1c(N)c(C(=O)C[N@@H+](C)C[C@H](C)O)c(=O)[nH]c1=O ZINC000156326184 523206260 /nfs/dbraw/zinc/20/62/60/523206260.db2.gz ZJTUCRZMPDETRU-ZETCQYMHSA-N 1 2 284.316 -1.366 20 0 CAADLO COCCN(C)S(=O)(=O)NCC(F)(F)C[NH3+] ZINC000186994171 523625961 /nfs/dbraw/zinc/62/59/61/523625961.db2.gz ACMABGGNGJTBBJ-UHFFFAOYSA-N 1 2 261.294 -1.007 20 0 CAADLO COCC[N@H+](C)[C@H](C)C(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000054354176 523634223 /nfs/dbraw/zinc/63/42/23/523634223.db2.gz NMSSSHQFWZMKJU-MRVPVSSYSA-N 1 2 298.343 -1.184 20 0 CAADLO COCC[N@@H+](C)[C@H](C)C(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000054354176 523634235 /nfs/dbraw/zinc/63/42/35/523634235.db2.gz NMSSSHQFWZMKJU-MRVPVSSYSA-N 1 2 298.343 -1.184 20 0 CAADLO COCC[N@H+](C)[C@@H](C)C(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000054354174 523634628 /nfs/dbraw/zinc/63/46/28/523634628.db2.gz NMSSSHQFWZMKJU-QMMMGPOBSA-N 1 2 298.343 -1.184 20 0 CAADLO COCC[N@@H+](C)[C@@H](C)C(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000054354174 523634634 /nfs/dbraw/zinc/63/46/34/523634634.db2.gz NMSSSHQFWZMKJU-QMMMGPOBSA-N 1 2 298.343 -1.184 20 0 CAADLO COCC[N@H+](CC(=O)NCCC(=O)OC)[C@H](C)C(N)=O ZINC000264375891 523655045 /nfs/dbraw/zinc/65/50/45/523655045.db2.gz KHSJFJCZJORTAI-SECBINFHSA-N 1 2 289.332 -1.512 20 0 CAADLO COCC[N@@H+](CC(=O)NCCC(=O)OC)[C@H](C)C(N)=O ZINC000264375891 523655055 /nfs/dbraw/zinc/65/50/55/523655055.db2.gz KHSJFJCZJORTAI-SECBINFHSA-N 1 2 289.332 -1.512 20 0 CAADLO COc1ccc(C(=O)NC(=O)C[N@H+]2C[C@@H](O)[C@@H](O)C2)cc1 ZINC000278802680 523678939 /nfs/dbraw/zinc/67/89/39/523678939.db2.gz OTAHOIMEFLNRSZ-TXEJJXNPSA-N 1 2 294.307 -1.011 20 0 CAADLO COc1ccc(C(=O)NC(=O)C[N@@H+]2C[C@@H](O)[C@@H](O)C2)cc1 ZINC000278802680 523678946 /nfs/dbraw/zinc/67/89/46/523678946.db2.gz OTAHOIMEFLNRSZ-TXEJJXNPSA-N 1 2 294.307 -1.011 20 0 CAADLO COc1ccc(C(=O)NC(=O)C[NH+]2C[C@@H](O)[C@H](O)C2)cc1 ZINC000278802685 523679791 /nfs/dbraw/zinc/67/97/91/523679791.db2.gz OTAHOIMEFLNRSZ-VXGBXAGGSA-N 1 2 294.307 -1.011 20 0 CAADLO CN1C(=O)C(=O)N(CC(=O)NCC[NH+]2CCOCC2)C1=O ZINC000265084962 523679966 /nfs/dbraw/zinc/67/99/66/523679966.db2.gz YGDWOJNFLDUGKI-UHFFFAOYSA-N 1 2 298.299 -2.145 20 0 CAADLO Cn1cc(C(=O)C(=O)NC[C@@H]2C[NH+]3CCN2CC3)cn1 ZINC000178779762 534728534 /nfs/dbraw/zinc/72/85/34/534728534.db2.gz SFZWPRSMFRDFOD-LLVKDONJSA-N 1 2 277.328 -1.281 20 0 CAADLO COCCN1CCC[N@H+](CC(=O)N2CCNC2=O)CC1=O ZINC000364936006 523822013 /nfs/dbraw/zinc/82/20/13/523822013.db2.gz NWESDTXSRRYPFF-UHFFFAOYSA-N 1 2 298.343 -1.281 20 0 CAADLO COCCN1CCC[N@@H+](CC(=O)N2CCNC2=O)CC1=O ZINC000364936006 523822017 /nfs/dbraw/zinc/82/20/17/523822017.db2.gz NWESDTXSRRYPFF-UHFFFAOYSA-N 1 2 298.343 -1.281 20 0 CAADLO CN1CCN(c2cc(NC[C@@H](O)CO)[nH+]cn2)CC1=O ZINC000275981719 523923150 /nfs/dbraw/zinc/92/31/50/523923150.db2.gz GQSVLXDQNSHNFB-SECBINFHSA-N 1 2 281.316 -1.480 20 0 CAADLO CN1CCN(c2cc(NC[C@@H](O)CO)nc[nH+]2)CC1=O ZINC000275981719 523923157 /nfs/dbraw/zinc/92/31/57/523923157.db2.gz GQSVLXDQNSHNFB-SECBINFHSA-N 1 2 281.316 -1.480 20 0 CAADLO CN1CCN(c2cc(N3CC(O)C3)[nH+]cn2)CC1=O ZINC000274801534 523923479 /nfs/dbraw/zinc/92/34/79/523923479.db2.gz KEHXTWIFYVALIW-UHFFFAOYSA-N 1 2 263.301 -1.064 20 0 CAADLO CN1CCN(c2cc(N3CC(O)C3)nc[nH+]2)CC1=O ZINC000274801534 523923483 /nfs/dbraw/zinc/92/34/83/523923483.db2.gz KEHXTWIFYVALIW-UHFFFAOYSA-N 1 2 263.301 -1.064 20 0 CAADLO CN1CCN(c2cc(NC[C@H](O)CO)[nH+]cn2)CC1=O ZINC000275981721 523923573 /nfs/dbraw/zinc/92/35/73/523923573.db2.gz GQSVLXDQNSHNFB-VIFPVBQESA-N 1 2 281.316 -1.480 20 0 CAADLO CN1CCN(c2cc(NC[C@H](O)CO)nc[nH+]2)CC1=O ZINC000275981721 523923579 /nfs/dbraw/zinc/92/35/79/523923579.db2.gz GQSVLXDQNSHNFB-VIFPVBQESA-N 1 2 281.316 -1.480 20 0 CAADLO CN1CCN(c2cc(NC(CO)CO)[nH+]cn2)CC1=O ZINC000274986200 523923592 /nfs/dbraw/zinc/92/35/92/523923592.db2.gz ZVOCIPKKCPPZLN-UHFFFAOYSA-N 1 2 281.316 -1.480 20 0 CAADLO CN1CCN(c2cc(NC(CO)CO)nc[nH+]2)CC1=O ZINC000274986200 523923597 /nfs/dbraw/zinc/92/35/97/523923597.db2.gz ZVOCIPKKCPPZLN-UHFFFAOYSA-N 1 2 281.316 -1.480 20 0 CAADLO CN(C)C(=O)CNC(=O)C(=O)NCCNc1cccc[nH+]1 ZINC000275690583 523990142 /nfs/dbraw/zinc/99/01/42/523990142.db2.gz PHFRJYKKFRYMCE-UHFFFAOYSA-N 1 2 293.327 -1.186 20 0 CAADLO CNc1nc(N(C)[C@@H](C)CO)nc(N(C)[C@H](C)CO)[nH+]1 ZINC000338488462 524038353 /nfs/dbraw/zinc/03/83/53/524038353.db2.gz XNFRSJBLUJIZNU-DTORHVGOSA-N 1 2 284.364 -1.031 20 0 CAADLO CNc1nc(N(C)[C@H](C)CO)nc(N(C)[C@@H](C)CO)[nH+]1 ZINC000338488462 524038354 /nfs/dbraw/zinc/03/83/54/524038354.db2.gz XNFRSJBLUJIZNU-DTORHVGOSA-N 1 2 284.364 -1.031 20 0 CAADLO CNC(=O)C[N@@H+]1CCCN(C(=O)C2CN(C(C)=O)C2)CC1 ZINC000364953907 524072630 /nfs/dbraw/zinc/07/26/30/524072630.db2.gz QZYJHZIEDQQHRY-UHFFFAOYSA-N 1 2 296.371 -1.255 20 0 CAADLO CNC(=O)C[N@H+]1CCCN(C(=O)C2CN(C(C)=O)C2)CC1 ZINC000364953907 524072631 /nfs/dbraw/zinc/07/26/31/524072631.db2.gz QZYJHZIEDQQHRY-UHFFFAOYSA-N 1 2 296.371 -1.255 20 0 CAADLO CNC(=O)NC(=O)CC[N@H+](CCOC)CC(=O)OC ZINC000264992429 524077121 /nfs/dbraw/zinc/07/71/21/524077121.db2.gz BZPMMEODVGIGAK-UHFFFAOYSA-N 1 2 275.305 -1.047 20 0 CAADLO CNC(=O)NC(=O)CC[N@@H+](CCOC)CC(=O)OC ZINC000264992429 524077122 /nfs/dbraw/zinc/07/71/22/524077122.db2.gz BZPMMEODVGIGAK-UHFFFAOYSA-N 1 2 275.305 -1.047 20 0 CAADLO CNC(=O)NC(=O)C[N@@H+]1CC[C@H](NC(=O)NC2CC2)C1 ZINC000273914764 524077477 /nfs/dbraw/zinc/07/74/77/524077477.db2.gz CXFHEHZAKHMWLF-VIFPVBQESA-N 1 2 283.332 -1.022 20 0 CAADLO CNC(=O)NC(=O)C[N@H+]1CC[C@H](NC(=O)NC2CC2)C1 ZINC000273914764 524077478 /nfs/dbraw/zinc/07/74/78/524077478.db2.gz CXFHEHZAKHMWLF-VIFPVBQESA-N 1 2 283.332 -1.022 20 0 CAADLO O=C(Cn1cnnn1)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000331817716 534760683 /nfs/dbraw/zinc/76/06/83/534760683.db2.gz GRWQMJJZSYYVGW-UHFFFAOYSA-N 1 2 276.304 -1.259 20 0 CAADLO C[C@@H](C(=O)NC(N)=O)[N@@H+]1CCN2C(=O)OC[C@H]2C1 ZINC000370558831 524156957 /nfs/dbraw/zinc/15/69/57/524156957.db2.gz VDIJQKXEFZIIBZ-NKWVEPMBSA-N 1 2 256.262 -1.294 20 0 CAADLO C[C@@H](C(=O)NC(N)=O)[N@H+]1CCN2C(=O)OC[C@H]2C1 ZINC000370558831 524156965 /nfs/dbraw/zinc/15/69/65/524156965.db2.gz VDIJQKXEFZIIBZ-NKWVEPMBSA-N 1 2 256.262 -1.294 20 0 CAADLO C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@@H+]1CC[C@H](O)C1 ZINC000074313352 524303691 /nfs/dbraw/zinc/30/36/91/524303691.db2.gz SQFXZDSZKGZFTQ-YUMQZZPRSA-N 1 2 296.327 -1.696 20 0 CAADLO C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@H+]1CC[C@H](O)C1 ZINC000074313352 524303699 /nfs/dbraw/zinc/30/36/99/524303699.db2.gz SQFXZDSZKGZFTQ-YUMQZZPRSA-N 1 2 296.327 -1.696 20 0 CAADLO C[C@H](C[NH+]1CCOCC1)NC(=O)C(=O)NC[C@@H]1CCOC1 ZINC000339336113 524350781 /nfs/dbraw/zinc/35/07/81/524350781.db2.gz ZGZGDCHTUKPRPY-NEPJUHHUSA-N 1 2 299.371 -1.024 20 0 CAADLO C[C@H](CNC(=O)C(=O)NC[C@@H]1CCOC1)[NH+]1CCOCC1 ZINC000339340106 524370363 /nfs/dbraw/zinc/37/03/63/524370363.db2.gz MJXAHOBPGWUJCD-NEPJUHHUSA-N 1 2 299.371 -1.024 20 0 CAADLO O=C1NC[C@H]2C[N@H+](CCc3cn[nH]c3)CCN2C1=O ZINC000347762271 534788286 /nfs/dbraw/zinc/78/82/86/534788286.db2.gz YQHHXUUDGYIIJE-JTQLQIEISA-N 1 2 263.301 -1.405 20 0 CAADLO O=C1NC[C@H]2C[N@@H+](CCc3cn[nH]c3)CCN2C1=O ZINC000347762271 534788292 /nfs/dbraw/zinc/78/82/92/534788292.db2.gz YQHHXUUDGYIIJE-JTQLQIEISA-N 1 2 263.301 -1.405 20 0 CAADLO O=C1NC[C@H]2C[N@H+](C[C@@H](O)CC(F)(F)F)CCN2C1=O ZINC000249505099 534788829 /nfs/dbraw/zinc/78/88/29/534788829.db2.gz YFTFTURYXZDNCK-YUMQZZPRSA-N 1 2 295.261 -1.058 20 0 CAADLO O=C1NC[C@H]2C[N@@H+](C[C@@H](O)CC(F)(F)F)CCN2C1=O ZINC000249505099 534788833 /nfs/dbraw/zinc/78/88/33/534788833.db2.gz YFTFTURYXZDNCK-YUMQZZPRSA-N 1 2 295.261 -1.058 20 0 CAADLO C[C@@H](CNC(=O)C(=O)NC[C@H]1CCOC1)[NH+]1CCOCC1 ZINC000339340107 524638017 /nfs/dbraw/zinc/63/80/17/524638017.db2.gz MJXAHOBPGWUJCD-NWDGAFQWSA-N 1 2 299.371 -1.024 20 0 CAADLO C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)N(C)CCOCCO ZINC000340662288 524781009 /nfs/dbraw/zinc/78/10/09/524781009.db2.gz ZOGKXQQDFVONRM-LLVKDONJSA-N 1 2 298.343 -1.145 20 0 CAADLO COc1cc[nH+]cc1NC(=O)C(=O)N1CCNC(=O)C1 ZINC000299485340 524862831 /nfs/dbraw/zinc/86/28/31/524862831.db2.gz IEHFUCXCPCDUEH-UHFFFAOYSA-N 1 2 278.268 -1.013 20 0 CAADLO Cn1cnn(CC(=O)NCC(C)(C)[NH+]2CCOCC2)c1=O ZINC000179390193 534816707 /nfs/dbraw/zinc/81/67/07/534816707.db2.gz BORRNEYZHNFHKR-UHFFFAOYSA-N 1 2 297.359 -1.191 20 0 CAADLO Cn1cnn(CC(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)c1=O ZINC000329096383 534817463 /nfs/dbraw/zinc/81/74/63/534817463.db2.gz LCSVSAOKVZZESD-ZJUUUORDSA-N 1 2 281.316 -1.877 20 0 CAADLO Cn1cnn(CC(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)c1=O ZINC000329096383 534817471 /nfs/dbraw/zinc/81/74/71/534817471.db2.gz LCSVSAOKVZZESD-ZJUUUORDSA-N 1 2 281.316 -1.877 20 0 CAADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)C(=O)NC[C@@H]1CCOC1 ZINC000339340258 525125430 /nfs/dbraw/zinc/12/54/30/525125430.db2.gz GFQWZQSGLHDKCJ-NEPJUHHUSA-N 1 2 299.371 -1.024 20 0 CAADLO C[C@@H]1COCC[N@H+]1CCNC(=O)C(=O)NC[C@@H]1CCOC1 ZINC000339340258 525125438 /nfs/dbraw/zinc/12/54/38/525125438.db2.gz GFQWZQSGLHDKCJ-NEPJUHHUSA-N 1 2 299.371 -1.024 20 0 CAADLO Nc1nc(N)nc(C[N@@H+]2CCSC[C@H]2CCO)n1 ZINC000347384691 534840230 /nfs/dbraw/zinc/84/02/30/534840230.db2.gz XCYJXORXQRDXFX-SSDOTTSWSA-N 1 2 270.362 -1.003 20 0 CAADLO Nc1nc(N)nc(C[N@H+]2CCSC[C@H]2CCO)n1 ZINC000347384691 534840233 /nfs/dbraw/zinc/84/02/33/534840233.db2.gz XCYJXORXQRDXFX-SSDOTTSWSA-N 1 2 270.362 -1.003 20 0 CAADLO C[C@@H]1C[C@H](O)C[N@@H+]1CC(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000340924223 525455850 /nfs/dbraw/zinc/45/58/50/525455850.db2.gz IBTAXLFYIMJYDU-SFYZADRCSA-N 1 2 296.327 -1.696 20 0 CAADLO C[C@@H]1C[C@H](O)C[N@H+]1CC(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000340924223 525455857 /nfs/dbraw/zinc/45/58/57/525455857.db2.gz IBTAXLFYIMJYDU-SFYZADRCSA-N 1 2 296.327 -1.696 20 0 CAADLO C[C@@H]1C[C@H]1C[NH+](CC(=O)NC(N)=O)CC(=O)NC(N)=O ZINC000047045280 525483801 /nfs/dbraw/zinc/48/38/01/525483801.db2.gz WEQPNDNBEAOAQP-RQJHMYQMSA-N 1 2 285.304 -1.666 20 0 CAADLO O=S(=O)(C[C@H]1CCOC1)NC[C@H]1C[NH+]2CCN1CC2 ZINC000179057419 534863424 /nfs/dbraw/zinc/86/34/24/534863424.db2.gz WZRUQNGIJHCPMA-RYUDHWBXSA-N 1 2 289.401 -1.058 20 0 CAADLO COCC[N@H+]1C[C@H]2CN(C(=O)c3ncnn3C)C[C@@H](C1)O2 ZINC001274981070 782163762 /nfs/dbraw/zinc/16/37/62/782163762.db2.gz XTMOKHFUVLHNPL-PHIMTYICSA-N 1 2 295.343 -1.013 20 0 CAADLO O=S(=O)(NC[C@H]1C[NH+]2CCN1CC2)[C@H]1CCOC1 ZINC000446933493 534868493 /nfs/dbraw/zinc/86/84/93/534868493.db2.gz NFPNVIZFUPMMHM-QWRGUYRKSA-N 1 2 275.374 -1.306 20 0 CAADLO O=S(=O)(NC[C@H]1C[NH+]2CCN1CC2)N1CCOCC1 ZINC000446923174 534869062 /nfs/dbraw/zinc/86/90/62/534869062.db2.gz RUMLDGPQNKOBHU-NSHDSACASA-N 1 2 290.389 -1.847 20 0 CAADLO COCC[N@@H+]1C[C@H]2CN(C(=O)c3ncnn3C)C[C@@H](C1)O2 ZINC001274981070 782163768 /nfs/dbraw/zinc/16/37/68/782163768.db2.gz XTMOKHFUVLHNPL-PHIMTYICSA-N 1 2 295.343 -1.013 20 0 CAADLO C[C@@H](O)CC[N@H+](C)CC(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000072714777 525762342 /nfs/dbraw/zinc/76/23/42/525762342.db2.gz XCQOVALCOYLIKS-MRVPVSSYSA-N 1 2 298.343 -1.448 20 0 CAADLO C[C@@H](O)CC[N@@H+](C)CC(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000072714777 525762357 /nfs/dbraw/zinc/76/23/57/525762357.db2.gz XCQOVALCOYLIKS-MRVPVSSYSA-N 1 2 298.343 -1.448 20 0 CAADLO C[C@H](C(=O)NC(N)=O)[N@@H+]1CCN2C(=O)OC[C@@H]2C1 ZINC000370558833 526019033 /nfs/dbraw/zinc/01/90/33/526019033.db2.gz VDIJQKXEFZIIBZ-RQJHMYQMSA-N 1 2 256.262 -1.294 20 0 CAADLO C[C@H](C(=O)NC(N)=O)[N@H+]1CCN2C(=O)OC[C@@H]2C1 ZINC000370558833 526019041 /nfs/dbraw/zinc/01/90/41/526019041.db2.gz VDIJQKXEFZIIBZ-RQJHMYQMSA-N 1 2 256.262 -1.294 20 0 CAADLO C[NH+]1CC2(CCN2C(=O)[C@H]2O[C@H](O)[C@H](O)[C@@H](O)[C@H]2O)C1 ZINC001275043672 782163958 /nfs/dbraw/zinc/16/39/58/782163958.db2.gz GGPZWDGVCICOFB-VPWVSVFPSA-N 1 2 288.300 -3.297 20 0 CAADLO C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@@H+]1CC[C@H](O)C1 ZINC000074313355 526190236 /nfs/dbraw/zinc/19/02/36/526190236.db2.gz SQFXZDSZKGZFTQ-SFYZADRCSA-N 1 2 296.327 -1.696 20 0 CAADLO C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@H+]1CC[C@H](O)C1 ZINC000074313355 526190242 /nfs/dbraw/zinc/19/02/42/526190242.db2.gz SQFXZDSZKGZFTQ-SFYZADRCSA-N 1 2 296.327 -1.696 20 0 CAADLO CC(C)(C)N1C[C@H](NC(=O)CN2CC[NH2+]CC2=O)CC1=O ZINC000162697949 526297283 /nfs/dbraw/zinc/29/72/83/526297283.db2.gz FSXXPKYILRIPBZ-SNVBAGLBSA-N 1 2 296.371 -1.066 20 0 CAADLO CC(C)(C)NC(=O)CNC(=O)C[NH+]1C[C@@H](O)[C@H](O)C1 ZINC000444704815 526308694 /nfs/dbraw/zinc/30/86/94/526308694.db2.gz MKRDXSCMVJTWRE-RKDXNWHRSA-N 1 2 273.333 -1.945 20 0 CAADLO CC(C)(C)NC(=O)CNC(=O)C[N@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000444704811 526309163 /nfs/dbraw/zinc/30/91/63/526309163.db2.gz MKRDXSCMVJTWRE-DTORHVGOSA-N 1 2 273.333 -1.945 20 0 CAADLO CC(C)(C)NC(=O)CNC(=O)C[N@@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000444704811 526309164 /nfs/dbraw/zinc/30/91/64/526309164.db2.gz MKRDXSCMVJTWRE-DTORHVGOSA-N 1 2 273.333 -1.945 20 0 CAADLO O=C(NCCn1cc[nH+]c1)C(=O)N1CCC[C@@H](O)C1 ZINC000339318584 526471688 /nfs/dbraw/zinc/47/16/88/526471688.db2.gz TZGUMNKOCVTWSG-SNVBAGLBSA-N 1 2 266.301 -1.017 20 0 CAADLO CC(=O)N1CC(C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)C1 ZINC000331389345 526513384 /nfs/dbraw/zinc/51/33/84/526513384.db2.gz CNZMEGUCAPUFGO-ZDUSSCGKSA-N 1 2 299.371 -1.384 20 0 CAADLO CC(=O)N1CC(C(=O)N[C@H](CO)C[NH+]2CCOCC2)C1 ZINC000331843999 526517423 /nfs/dbraw/zinc/51/74/23/526517423.db2.gz HANPAYICRGJATE-LBPRGKRZSA-N 1 2 285.344 -1.726 20 0 CAADLO CC(=O)N1CCN(C(=O)C[N@H+]2C[C@H](CO)OC[C@H]2C)CC1 ZINC000167844613 526608984 /nfs/dbraw/zinc/60/89/84/526608984.db2.gz GSTOUCSCHDECJA-DGCLKSJQSA-N 1 2 299.371 -1.241 20 0 CAADLO CC(=O)N1CCN(C(=O)C[N@@H+]2C[C@H](CO)OC[C@H]2C)CC1 ZINC000167844613 526608989 /nfs/dbraw/zinc/60/89/89/526608989.db2.gz GSTOUCSCHDECJA-DGCLKSJQSA-N 1 2 299.371 -1.241 20 0 CAADLO CC(=O)N1CCN(C(=O)C[N@@H+]2CCCNC(=O)[C@@H]2C)CC1 ZINC000189270191 526609404 /nfs/dbraw/zinc/60/94/04/526609404.db2.gz RULFSKAXNDUKSH-NSHDSACASA-N 1 2 296.371 -1.113 20 0 CAADLO CC(=O)N1CCN(C(=O)C[N@H+]2CCCNC(=O)[C@@H]2C)CC1 ZINC000189270191 526609412 /nfs/dbraw/zinc/60/94/12/526609412.db2.gz RULFSKAXNDUKSH-NSHDSACASA-N 1 2 296.371 -1.113 20 0 CAADLO CC(=O)N1CCN(C(=O)C[N@H+]2C[C@@H](CO)OC[C@H]2C)CC1 ZINC000167844391 526609835 /nfs/dbraw/zinc/60/98/35/526609835.db2.gz GSTOUCSCHDECJA-YPMHNXCESA-N 1 2 299.371 -1.241 20 0 CAADLO CC(=O)N1CCN(C(=O)C[N@@H+]2C[C@@H](CO)OC[C@H]2C)CC1 ZINC000167844391 526609839 /nfs/dbraw/zinc/60/98/39/526609839.db2.gz GSTOUCSCHDECJA-YPMHNXCESA-N 1 2 299.371 -1.241 20 0 CAADLO CC(=O)N1CC[NH+](CCNC(=O)[C@@H]2COC(=O)N2)CC1 ZINC000496073174 526626394 /nfs/dbraw/zinc/62/63/94/526626394.db2.gz UFINDRRACWOUKV-JTQLQIEISA-N 1 2 284.316 -1.625 20 0 CAADLO CC(=O)N1CC[NH+](CCNC(=O)[C@H]2NC(=O)O[C@H]2C)CC1 ZINC000497055078 526626420 /nfs/dbraw/zinc/62/64/20/526626420.db2.gz HNCOFDSYIVZDNN-ONGXEEELSA-N 1 2 298.343 -1.236 20 0 CAADLO CC(=O)N1CC[NH+](CCNC(=O)[C@@H]2NC(=O)O[C@@H]2C)CC1 ZINC000497055077 526627055 /nfs/dbraw/zinc/62/70/55/526627055.db2.gz HNCOFDSYIVZDNN-MWLCHTKSSA-N 1 2 298.343 -1.236 20 0 CAADLO CC(=O)N1CC[C@H](C(=O)NC[C@@H]2C[NH+]3CCN2CC3)C1 ZINC000178645974 526658121 /nfs/dbraw/zinc/65/81/21/526658121.db2.gz XZLIXCPOXZLPFP-QWHCGFSZSA-N 1 2 280.372 -1.029 20 0 CAADLO O=C(CN1CCCC1=O)N[C@H](CO)C[NH+]1CCOCC1 ZINC000339211868 526735414 /nfs/dbraw/zinc/73/54/14/526735414.db2.gz KBNCJJQSWMUVHH-NSHDSACASA-N 1 2 285.344 -1.582 20 0 CAADLO O=C(CN1CCCC1=O)N[C@@H](CO)C[NH+]1CCOCC1 ZINC000339211867 526735482 /nfs/dbraw/zinc/73/54/82/526735482.db2.gz KBNCJJQSWMUVHH-LLVKDONJSA-N 1 2 285.344 -1.582 20 0 CAADLO CC(=O)NCCNC(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000426261953 526755294 /nfs/dbraw/zinc/75/52/94/526755294.db2.gz UJMSNFNACLIQBT-UHFFFAOYSA-N 1 2 299.375 -1.286 20 0 CAADLO NC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1CC(=O)N1CCNC(=O)C1 ZINC000364952818 526987325 /nfs/dbraw/zinc/98/73/25/526987325.db2.gz DMGLYJQYEBGILW-KWBADKCTSA-N 1 2 294.355 -1.469 20 0 CAADLO NC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@H+]1CC(=O)N1CCNC(=O)C1 ZINC000364952818 526987330 /nfs/dbraw/zinc/98/73/30/526987330.db2.gz DMGLYJQYEBGILW-KWBADKCTSA-N 1 2 294.355 -1.469 20 0 CAADLO NC(=O)c1ccccc1NC(=O)C[NH+]1C[C@H](O)[C@@H](O)C1 ZINC000236255227 527090419 /nfs/dbraw/zinc/09/04/19/527090419.db2.gz JVELEAKADGRQFP-QWRGUYRKSA-N 1 2 279.296 -1.239 20 0 CAADLO NC(=O)c1ccccc1NC(=O)C[NH+]1C[C@@H](O)[C@H](O)C1 ZINC000236255166 527090813 /nfs/dbraw/zinc/09/08/13/527090813.db2.gz JVELEAKADGRQFP-GHMZBOCLSA-N 1 2 279.296 -1.239 20 0 CAADLO CC(=O)[C@@](C)(O)C[NH+]1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC000332194361 527138595 /nfs/dbraw/zinc/13/85/95/527138595.db2.gz RBQZBSDHUZVQJM-AWEZNQCLSA-N 1 2 297.355 -1.251 20 0 CAADLO Cn1cc(CC[NH+]2CCN(S(N)(=O)=O)CC2)cn1 ZINC000265648511 527189254 /nfs/dbraw/zinc/18/92/54/527189254.db2.gz XOJUJKSMLAHVRX-UHFFFAOYSA-N 1 2 273.362 -1.216 20 0 CAADLO Cn1cc(N2CCC[C@H]([NH+]3C[C@H](O)[C@@H](O)C3)C2=O)cn1 ZINC000278897972 527245531 /nfs/dbraw/zinc/24/55/31/527245531.db2.gz VAENKFDNHKUNKM-SRVKXCTJSA-N 1 2 280.328 -1.047 20 0 CAADLO Cn1cc(OCC(=O)N2CC[NH+](CCO)CC2)cn1 ZINC000337290395 527277846 /nfs/dbraw/zinc/27/78/46/527277846.db2.gz KUHJGDWMFVKREA-UHFFFAOYSA-N 1 2 268.317 -1.065 20 0 CAADLO Cn1cc(OCC(=O)NC[C@@H]2C[NH+]3CCN2CC3)cn1 ZINC000337193336 527278717 /nfs/dbraw/zinc/27/87/17/527278717.db2.gz YFLHELMDVFUFLJ-LLVKDONJSA-N 1 2 279.344 -1.085 20 0 CAADLO Cn1cc(OCC(=O)NC[C@H]2C[NH+]3CCN2CC3)cn1 ZINC000337193338 527279577 /nfs/dbraw/zinc/27/95/77/527279577.db2.gz YFLHELMDVFUFLJ-NSHDSACASA-N 1 2 279.344 -1.085 20 0 CAADLO O=C(Cn1cn[nH]c1=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000158055792 527394405 /nfs/dbraw/zinc/39/44/05/527394405.db2.gz BHOXADWEAZITNF-LLVKDONJSA-N 1 2 295.343 -1.105 20 0 CAADLO Cn1ccnc1CN1CC[NH+](CCS(N)(=O)=O)CC1 ZINC000158010438 527432569 /nfs/dbraw/zinc/43/25/69/527432569.db2.gz DCEDUIDZHXODFA-UHFFFAOYSA-N 1 2 287.389 -1.174 20 0 CAADLO Cn1cc[nH+]c1CNC(=O)CN1CCOCC1=O ZINC000280628383 527434568 /nfs/dbraw/zinc/43/45/68/527434568.db2.gz LOAUQWSLVZIROA-UHFFFAOYSA-N 1 2 252.274 -1.105 20 0 CAADLO CC(C)(C(=O)N1CC[C@@](O)(C(N)=O)C1)[NH+]1CCOCC1 ZINC000355041450 527510707 /nfs/dbraw/zinc/51/07/07/527510707.db2.gz DOLGLTNNWWHNOP-ZDUSSCGKSA-N 1 2 285.344 -1.454 20 0 CAADLO CC(C)(C(=O)N1CC[C@](O)(C(N)=O)C1)[NH+]1CCOCC1 ZINC000355041443 527512635 /nfs/dbraw/zinc/51/26/35/527512635.db2.gz DOLGLTNNWWHNOP-CYBMUJFWSA-N 1 2 285.344 -1.454 20 0 CAADLO CC(C)C(=O)N[C@@H](CO)C(=O)N1CC[NH+](CCO)CC1 ZINC000362541078 527514958 /nfs/dbraw/zinc/51/49/58/527514958.db2.gz MYIIBJSMUWWDCH-NSHDSACASA-N 1 2 287.360 -1.744 20 0 CAADLO OC[C@H](O)CNc1nc(NC[C@H](O)CO)[nH+]cc1Cl ZINC000275879813 527611116 /nfs/dbraw/zinc/61/11/16/527611116.db2.gz WNNICTTYGOOMPN-RQJHMYQMSA-N 1 2 292.723 -1.340 20 0 CAADLO OC[C@H](O)CNc1nc(NC[C@H](O)CO)c(Cl)c[nH+]1 ZINC000275879791 527611367 /nfs/dbraw/zinc/61/13/67/527611367.db2.gz WNNICTTYGOOMPN-NKWVEPMBSA-N 1 2 292.723 -1.340 20 0 CAADLO CCN(C)S(=O)(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000443368229 527849377 /nfs/dbraw/zinc/84/93/77/527849377.db2.gz FDWFXDATDVOFPG-NSHDSACASA-N 1 2 295.405 -1.192 20 0 CAADLO CCN(C)S(=O)(=O)NC[C@](C)(O)C[NH+]1CCOCC1 ZINC000443243345 527854625 /nfs/dbraw/zinc/85/46/25/527854625.db2.gz CVSBGZYZPIXVQH-NSHDSACASA-N 1 2 295.405 -1.144 20 0 CAADLO CCO[C@@H]1C[C@@H]1C(=O)NCC(=O)NCC[NH+]1CCOCC1 ZINC000347885705 527859819 /nfs/dbraw/zinc/85/98/19/527859819.db2.gz CHRHTTJFBDLBEX-NWDGAFQWSA-N 1 2 299.371 -1.024 20 0 CAADLO CC[N@H+](CC(=O)N1CCNC1=O)[C@H]1CCNC1=O ZINC000440958821 527897389 /nfs/dbraw/zinc/89/73/89/527897389.db2.gz OMFGNUXLNFDJRY-QMMMGPOBSA-N 1 2 254.290 -1.251 20 0 CAADLO CC[N@@H+](CC(=O)N1CCNC1=O)[C@H]1CCNC1=O ZINC000440958821 527897393 /nfs/dbraw/zinc/89/73/93/527897393.db2.gz OMFGNUXLNFDJRY-QMMMGPOBSA-N 1 2 254.290 -1.251 20 0 CAADLO CC[N@H+](CC(=O)N1CCNC1=O)[C@@H]1CCNC1=O ZINC000440958817 527898820 /nfs/dbraw/zinc/89/88/20/527898820.db2.gz OMFGNUXLNFDJRY-MRVPVSSYSA-N 1 2 254.290 -1.251 20 0 CAADLO CC[N@@H+](CC(=O)N1CCNC1=O)[C@@H]1CCNC1=O ZINC000440958817 527898825 /nfs/dbraw/zinc/89/88/25/527898825.db2.gz OMFGNUXLNFDJRY-MRVPVSSYSA-N 1 2 254.290 -1.251 20 0 CAADLO CCN(CC(=O)NC(C)C)C(=O)C[NH+]1C[C@H](O)[C@@H](O)C1 ZINC000233453839 527904381 /nfs/dbraw/zinc/90/43/81/527904381.db2.gz YCLLHIDSTCMMHE-QWRGUYRKSA-N 1 2 287.360 -1.603 20 0 CAADLO CCOC(=O)[C@@](C)(O)C[N@@H+]1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC000332673567 527921150 /nfs/dbraw/zinc/92/11/50/527921150.db2.gz FVQRQXLBNWKTER-ZANVPECISA-N 1 2 299.327 -2.057 20 0 CAADLO CCOC(=O)[C@@](C)(O)C[N@H+]1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC000332673567 527921153 /nfs/dbraw/zinc/92/11/53/527921153.db2.gz FVQRQXLBNWKTER-ZANVPECISA-N 1 2 299.327 -2.057 20 0 CAADLO CCC[N@H+](CC(N)=O)CC(=O)NCC(=O)N1CCCC1 ZINC000429132848 527942672 /nfs/dbraw/zinc/94/26/72/527942672.db2.gz XCZBHDXNBAKYIK-UHFFFAOYSA-N 1 2 284.360 -1.078 20 0 CAADLO CCC[N@@H+](CC(N)=O)CC(=O)NCC(=O)N1CCCC1 ZINC000429132848 527942683 /nfs/dbraw/zinc/94/26/83/527942683.db2.gz XCZBHDXNBAKYIK-UHFFFAOYSA-N 1 2 284.360 -1.078 20 0 CAADLO CC[N@H+](CC(N)=O)CC(=O)NCCCN1CCCC1=O ZINC000191715068 527979603 /nfs/dbraw/zinc/97/96/03/527979603.db2.gz YXQLRTUIJXYRKU-UHFFFAOYSA-N 1 2 284.360 -1.078 20 0 CAADLO CC[N@@H+](CC(N)=O)CC(=O)NCCCN1CCCC1=O ZINC000191715068 527979608 /nfs/dbraw/zinc/97/96/08/527979608.db2.gz YXQLRTUIJXYRKU-UHFFFAOYSA-N 1 2 284.360 -1.078 20 0 CAADLO CC(C)OC[C@H](CO)[N@H+](C)CC(=O)N1CCNC(=O)C1 ZINC000433243707 528025061 /nfs/dbraw/zinc/02/50/61/528025061.db2.gz SZTHDBIGKYQWRV-NSHDSACASA-N 1 2 287.360 -1.338 20 0 CAADLO CC(C)OC[C@H](CO)[N@@H+](C)CC(=O)N1CCNC(=O)C1 ZINC000433243707 528025062 /nfs/dbraw/zinc/02/50/62/528025062.db2.gz SZTHDBIGKYQWRV-NSHDSACASA-N 1 2 287.360 -1.338 20 0 CAADLO CC(C)CNC(=O)NC(=O)C[NH+]1C[C@@H](O)[C@H](O)C1 ZINC000232582514 528046054 /nfs/dbraw/zinc/04/60/54/528046054.db2.gz BZQFTQSZDRDBQH-RKDXNWHRSA-N 1 2 259.306 -1.494 20 0 CAADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)Cn2cnnn2)CC1 ZINC000331475643 528087037 /nfs/dbraw/zinc/08/70/37/528087037.db2.gz OZLKTCIMSFJDBF-UHFFFAOYSA-N 1 2 295.347 -1.657 20 0 CAADLO CCNC(=O)C[N@H+]1CCCN(C(=O)Cn2cnnn2)CC1 ZINC000331475643 528087040 /nfs/dbraw/zinc/08/70/40/528087040.db2.gz OZLKTCIMSFJDBF-UHFFFAOYSA-N 1 2 295.347 -1.657 20 0 CAADLO CCNC(=O)C[N@@H+]1CCCN(S(=O)(=O)NCC)CC1 ZINC000171952690 528088905 /nfs/dbraw/zinc/08/89/05/528088905.db2.gz XYEOVNHKTGNSBB-UHFFFAOYSA-N 1 2 292.405 -1.016 20 0 CAADLO CCNC(=O)C[N@H+]1CCCN(S(=O)(=O)NCC)CC1 ZINC000171952690 528088909 /nfs/dbraw/zinc/08/89/09/528088909.db2.gz XYEOVNHKTGNSBB-UHFFFAOYSA-N 1 2 292.405 -1.016 20 0 CAADLO CCNC(=O)CNc1nc(C)[nH+]c(NCC(=O)NCC)n1 ZINC000439580713 528094579 /nfs/dbraw/zinc/09/45/79/528094579.db2.gz JKZIUNGXVFDOOY-UHFFFAOYSA-N 1 2 295.347 -1.880 20 0 CAADLO CCOC(=O)[C@](C)(O)C[N@H+](C)Cc1nnnn1C ZINC000354849640 528098616 /nfs/dbraw/zinc/09/86/16/528098616.db2.gz LVLVCPLWCZZXEU-SNVBAGLBSA-N 1 2 257.294 -1.044 20 0 CAADLO CCOC(=O)[C@](C)(O)C[N@@H+](C)Cc1nnnn1C ZINC000354849640 528098624 /nfs/dbraw/zinc/09/86/24/528098624.db2.gz LVLVCPLWCZZXEU-SNVBAGLBSA-N 1 2 257.294 -1.044 20 0 CAADLO CCOC(=O)[C@](C)(O)C[NH+]1CCN(C(=O)[C@@H](C)O)CC1 ZINC000331052476 528100674 /nfs/dbraw/zinc/10/06/74/528100674.db2.gz JCUZUJOVIMCKFT-ZWNOBZJWSA-N 1 2 288.344 -1.175 20 0 CAADLO CCC(=O)N1CC[C@@H](NC(=O)CN2CC[NH2+]CC2=O)C1 ZINC000430474021 528345307 /nfs/dbraw/zinc/34/53/07/528345307.db2.gz OSNPGSAKCVMKKZ-SNVBAGLBSA-N 1 2 282.344 -1.455 20 0 CAADLO CCNS(=O)(=O)[C@@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC000092843727 528371637 /nfs/dbraw/zinc/37/16/37/528371637.db2.gz CIDCWGRAFCICNG-RKDXNWHRSA-N 1 2 261.347 -1.112 20 0 CAADLO CCNS(=O)(=O)[C@@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC000092843727 528371641 /nfs/dbraw/zinc/37/16/41/528371641.db2.gz CIDCWGRAFCICNG-RKDXNWHRSA-N 1 2 261.347 -1.112 20 0 CAADLO CCCNC(=O)CN(C)C(=O)C[NH+](CCO)CCO ZINC000049753833 528374119 /nfs/dbraw/zinc/37/41/19/528374119.db2.gz ZHAAZQQHFMNPID-UHFFFAOYSA-N 1 2 275.349 -1.742 20 0 CAADLO CCCNC(=O)CN(C)C(=O)C[N@H+](C)[C@@H]1COC[C@@H]1O ZINC000352800739 528375180 /nfs/dbraw/zinc/37/51/80/528375180.db2.gz IECIIPZISBBECA-MNOVXSKESA-N 1 2 287.360 -1.338 20 0 CAADLO CCCNC(=O)CN(C)C(=O)C[N@@H+](C)[C@@H]1COC[C@@H]1O ZINC000352800739 528375183 /nfs/dbraw/zinc/37/51/83/528375183.db2.gz IECIIPZISBBECA-MNOVXSKESA-N 1 2 287.360 -1.338 20 0 CAADLO CCCNC(=O)CN(C)C(=O)C[NH+]1C[C@H](O)[C@@H](O)C1 ZINC000233032610 528376797 /nfs/dbraw/zinc/37/67/97/528376797.db2.gz QTUJOJZQZCAHBF-UWVGGRQHSA-N 1 2 273.333 -1.992 20 0 CAADLO CCN(CCO)C(=O)C(=O)N1CC[NH+](CCOC)CC1 ZINC000459830740 528520562 /nfs/dbraw/zinc/52/05/62/528520562.db2.gz YBHQILZVXMIDPD-UHFFFAOYSA-N 1 2 287.360 -1.382 20 0 CAADLO CC[N@H+](CCO)CC(=O)c1c(N)n(C2CC2)c(=O)[nH]c1=O ZINC000029840461 528529966 /nfs/dbraw/zinc/52/99/66/528529966.db2.gz YPTKZRGHHXTWPE-UHFFFAOYSA-N 1 2 296.327 -1.049 20 0 CAADLO CC[N@@H+](CCO)CC(=O)c1c(N)n(C2CC2)c(=O)[nH]c1=O ZINC000029840461 528529974 /nfs/dbraw/zinc/52/99/74/528529974.db2.gz YPTKZRGHHXTWPE-UHFFFAOYSA-N 1 2 296.327 -1.049 20 0 CAADLO CC(C)[C@@H](NC(=O)CN1CC[NH2+]CC1=O)C(N)=O ZINC000157068732 528545360 /nfs/dbraw/zinc/54/53/60/528545360.db2.gz VQLHEADYMQMINM-SNVBAGLBSA-N 1 2 256.306 -1.956 20 0 CAADLO CCOC(=O)C(C)(C)NC(=O)CN1CC[NH2+]CC1=O ZINC000430049548 528557564 /nfs/dbraw/zinc/55/75/64/528557564.db2.gz GKDQKNRGBDSQJG-UHFFFAOYSA-N 1 2 271.317 -1.124 20 0 CAADLO CCCOCC(=O)NCC(=O)NCC[NH+]1CCOCC1 ZINC000347894944 528587338 /nfs/dbraw/zinc/58/73/38/528587338.db2.gz QDWQQLAOVBFGGZ-UHFFFAOYSA-N 1 2 287.360 -1.022 20 0 CAADLO CCOCCC(=O)NCC(=O)NCC[NH+]1CCOCC1 ZINC000347894387 528593226 /nfs/dbraw/zinc/59/32/26/528593226.db2.gz YAQOZYCDHIFLBO-UHFFFAOYSA-N 1 2 287.360 -1.022 20 0 CAADLO CCCCOCCNC(=O)C[N@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000444701946 528598415 /nfs/dbraw/zinc/59/84/15/528598415.db2.gz XGGISULSFAGHIG-PHIMTYICSA-N 1 2 260.334 -1.043 20 0 CAADLO CCCCOCCNC(=O)C[N@@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000444701946 528598420 /nfs/dbraw/zinc/59/84/20/528598420.db2.gz XGGISULSFAGHIG-PHIMTYICSA-N 1 2 260.334 -1.043 20 0 CAADLO CCCCOCCNC(=O)C[NH+]1C[C@H](O)[C@@H](O)C1 ZINC000444701948 528598437 /nfs/dbraw/zinc/59/84/37/528598437.db2.gz XGGISULSFAGHIG-QWRGUYRKSA-N 1 2 260.334 -1.043 20 0 CAADLO CCC(CC)(NC(=O)C1C[NH+](CC(=O)NC)C1)C(N)=O ZINC000428944940 528709779 /nfs/dbraw/zinc/70/97/79/528709779.db2.gz WALOZSYXYHJOCI-UHFFFAOYSA-N 1 2 284.360 -1.176 20 0 CAADLO CCC(CC)(NC(=O)C1C[NH+](CC(N)=O)C1)C(N)=O ZINC000353233675 528710840 /nfs/dbraw/zinc/71/08/40/528710840.db2.gz PKZSMMZONMWTCX-UHFFFAOYSA-N 1 2 270.333 -1.436 20 0 CAADLO CCOC(=O)CCNC(=O)CN1CC[NH2+]CC1=O ZINC000430154819 528732015 /nfs/dbraw/zinc/73/20/15/528732015.db2.gz HDHTWZVTMCLXOB-UHFFFAOYSA-N 1 2 257.290 -1.512 20 0 CAADLO CCOCCNC(=O)C[N@H+](C)CC(=O)N1CCOCC1 ZINC000440356815 528760560 /nfs/dbraw/zinc/76/05/60/528760560.db2.gz QAPJOOVTEUVSMD-UHFFFAOYSA-N 1 2 287.360 -1.070 20 0 CAADLO CCOCCNC(=O)C[N@@H+](C)CC(=O)N1CCOCC1 ZINC000440356815 528760563 /nfs/dbraw/zinc/76/05/63/528760563.db2.gz QAPJOOVTEUVSMD-UHFFFAOYSA-N 1 2 287.360 -1.070 20 0 CAADLO CCOC(=O)COCC[N@@H+]1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC000347733449 528822611 /nfs/dbraw/zinc/82/26/11/528822611.db2.gz CXORUNWCUKIEPI-JTQLQIEISA-N 1 2 299.327 -1.791 20 0 CAADLO CCOC(=O)COCC[N@H+]1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC000347733449 528822615 /nfs/dbraw/zinc/82/26/15/528822615.db2.gz CXORUNWCUKIEPI-JTQLQIEISA-N 1 2 299.327 -1.791 20 0 CAADLO CCOCCS(=O)(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000179056287 528854945 /nfs/dbraw/zinc/85/49/45/528854945.db2.gz FQGZFBGIOMQNPR-LLVKDONJSA-N 1 2 277.390 -1.058 20 0 CAADLO CCOC[C@@H](O)C[N@@H+]1CCNC(=O)[C@@H]1CC(=O)OC ZINC000354860577 528902048 /nfs/dbraw/zinc/90/20/48/528902048.db2.gz QUTWIKKNADPLQJ-UWVGGRQHSA-N 1 2 274.317 -1.253 20 0 CAADLO CCOC[C@@H](O)C[N@H+]1CCNC(=O)[C@@H]1CC(=O)OC ZINC000354860577 528902051 /nfs/dbraw/zinc/90/20/51/528902051.db2.gz QUTWIKKNADPLQJ-UWVGGRQHSA-N 1 2 274.317 -1.253 20 0 CAADLO CCOC[C@@H](O)C[N@@H+]1CCNC(=O)[C@H]1CC(=O)OC ZINC000354860579 528902270 /nfs/dbraw/zinc/90/22/70/528902270.db2.gz QUTWIKKNADPLQJ-VHSXEESVSA-N 1 2 274.317 -1.253 20 0 CAADLO CCOC[C@@H](O)C[N@H+]1CCNC(=O)[C@H]1CC(=O)OC ZINC000354860579 528902271 /nfs/dbraw/zinc/90/22/71/528902271.db2.gz QUTWIKKNADPLQJ-VHSXEESVSA-N 1 2 274.317 -1.253 20 0 CAADLO CC(C)N1C(=O)C[C@@H](NC(=O)CN2CC[NH2+]CC2=O)C1=O ZINC000430074397 528974227 /nfs/dbraw/zinc/97/42/27/528974227.db2.gz HCBKWNDDGRUZKT-SECBINFHSA-N 1 2 296.327 -1.930 20 0 CAADLO CC(C)[C@H](CCO)NC(=O)CN1CC[NH2+]CC1=O ZINC000157462615 528982864 /nfs/dbraw/zinc/98/28/64/528982864.db2.gz GJGMFSFHAYBOOC-JTQLQIEISA-N 1 2 257.334 -1.059 20 0 CAADLO CCOC[C@H](O)C[N@@H+]1CCNC(=O)[C@H]1CC(=O)OC ZINC000354860574 528996377 /nfs/dbraw/zinc/99/63/77/528996377.db2.gz QUTWIKKNADPLQJ-NXEZZACHSA-N 1 2 274.317 -1.253 20 0 CAADLO CCOC[C@H](O)C[N@H+]1CCNC(=O)[C@H]1CC(=O)OC ZINC000354860574 528996382 /nfs/dbraw/zinc/99/63/82/528996382.db2.gz QUTWIKKNADPLQJ-NXEZZACHSA-N 1 2 274.317 -1.253 20 0 CAADLO CCOC(=O)N1CC[C@@H](NC(=O)CN2CC[NH2+]CC2=O)C1 ZINC000496874794 528996870 /nfs/dbraw/zinc/99/68/70/528996870.db2.gz LAZLKPZNNIWSFI-SNVBAGLBSA-N 1 2 298.343 -1.235 20 0 CAADLO CCOC[C@H](O)CNC(=O)C[N@H+](C)CC(=O)NC(C)C ZINC000355026272 528999278 /nfs/dbraw/zinc/99/92/78/528999278.db2.gz NJBXNMKEDONCMC-LLVKDONJSA-N 1 2 289.376 -1.044 20 0 CAADLO CCOC[C@H](O)CNC(=O)C[N@@H+](C)CC(=O)NC(C)C ZINC000355026272 528999282 /nfs/dbraw/zinc/99/92/82/528999282.db2.gz NJBXNMKEDONCMC-LLVKDONJSA-N 1 2 289.376 -1.044 20 0 CAADLO CC(C)N1C[C@H](NC(=O)CN2CC[NH2+]CC2=O)CC1=O ZINC000430242707 529101684 /nfs/dbraw/zinc/10/16/84/529101684.db2.gz SIKUIQAACZQFNS-SNVBAGLBSA-N 1 2 282.344 -1.456 20 0 CAADLO CC(C)Nc1nc(N[C@@H]2CC[C@H]2O)nc(NCCO)[nH+]1 ZINC000425291205 529113416 /nfs/dbraw/zinc/11/34/16/529113416.db2.gz ZDTSNXFBNFBSPX-RKDXNWHRSA-N 1 2 282.348 -1.703 20 0 CAADLO CC(C)Nc1nc(NCCO)[nH+]c(N[C@@H]2CC[C@H]2O)n1 ZINC000425291205 529113428 /nfs/dbraw/zinc/11/34/28/529113428.db2.gz ZDTSNXFBNFBSPX-RKDXNWHRSA-N 1 2 282.348 -1.703 20 0 CAADLO CC(C)Nc1nc(NCCO)nc(N[C@@H]2CC[C@H]2O)[nH+]1 ZINC000425291205 529113432 /nfs/dbraw/zinc/11/34/32/529113432.db2.gz ZDTSNXFBNFBSPX-RKDXNWHRSA-N 1 2 282.348 -1.703 20 0 CAADLO CC(C)Nc1nc(N2CC(C)(CO)C2)nc(NCCO)[nH+]1 ZINC000450794078 529113990 /nfs/dbraw/zinc/11/39/90/529113990.db2.gz MDXAPDIRJBRUFT-UHFFFAOYSA-N 1 2 296.375 -1.242 20 0 CAADLO CC(C)Nc1nc(NCCO)[nH+]c(N2CC(C)(CO)C2)n1 ZINC000450794078 529113997 /nfs/dbraw/zinc/11/39/97/529113997.db2.gz MDXAPDIRJBRUFT-UHFFFAOYSA-N 1 2 296.375 -1.242 20 0 CAADLO CC(C)Nc1nc(NCCO)nc(N2CC(C)(CO)C2)[nH+]1 ZINC000450794078 529114001 /nfs/dbraw/zinc/11/40/01/529114001.db2.gz MDXAPDIRJBRUFT-UHFFFAOYSA-N 1 2 296.375 -1.242 20 0 CAADLO CC[NH+]1CCN(C(=O)C(=O)N2CC(=O)N[C@H](C)C2)CC1 ZINC000459815168 529114032 /nfs/dbraw/zinc/11/40/32/529114032.db2.gz NCAHFJRLZISXNG-SNVBAGLBSA-N 1 2 282.344 -1.503 20 0 CAADLO CC(C)NC(=O)C(=O)N1CC[NH+](CCOCCO)CC1 ZINC000352248358 529116027 /nfs/dbraw/zinc/11/60/27/529116027.db2.gz ZPRCOANCLNWZSX-UHFFFAOYSA-N 1 2 287.360 -1.336 20 0 CAADLO CC[NH+]1CCN(C(=O)C(=O)N2CC[C@](C)(C(N)=O)C2)CC1 ZINC000459818471 529118747 /nfs/dbraw/zinc/11/87/47/529118747.db2.gz QNBSETLKTLTVTM-AWEZNQCLSA-N 1 2 296.371 -1.126 20 0 CAADLO CCN(C)C(=O)CNC(=O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000344826337 529122105 /nfs/dbraw/zinc/12/21/05/529122105.db2.gz KHFFOPDOFRBWDU-UHFFFAOYSA-N 1 2 296.371 -1.113 20 0 CAADLO CC(C)NC(=O)C[N@H+](C)CC(=O)NCCn1cncn1 ZINC000337663388 529127543 /nfs/dbraw/zinc/12/75/43/529127543.db2.gz NNXCWSIJRBPKDA-UHFFFAOYSA-N 1 2 282.348 -1.149 20 0 CAADLO CC(C)NC(=O)C[N@@H+](C)CC(=O)NCCn1cncn1 ZINC000337663388 529127545 /nfs/dbraw/zinc/12/75/45/529127545.db2.gz NNXCWSIJRBPKDA-UHFFFAOYSA-N 1 2 282.348 -1.149 20 0 CAADLO CC[C@H]1C(=O)NCC[N@H+]1CCN1C(=O)CNC1=O ZINC000156374257 529194979 /nfs/dbraw/zinc/19/49/79/529194979.db2.gz BQCKJCPZXGXPSA-QMMMGPOBSA-N 1 2 254.290 -1.251 20 0 CAADLO CC[C@H]1C(=O)NCC[N@@H+]1CCN1C(=O)CNC1=O ZINC000156374257 529194980 /nfs/dbraw/zinc/19/49/80/529194980.db2.gz BQCKJCPZXGXPSA-QMMMGPOBSA-N 1 2 254.290 -1.251 20 0 CAADLO CC[C@@H](O)CNc1nc(NC(C)C)nc(NCCO)[nH+]1 ZINC000420630756 529230455 /nfs/dbraw/zinc/23/04/55/529230455.db2.gz TYJOMNYKNQIQDO-SECBINFHSA-N 1 2 284.364 -1.455 20 0 CAADLO CC[C@@H](O)CNc1nc(NCCO)[nH+]c(NC(C)C)n1 ZINC000420630756 529230462 /nfs/dbraw/zinc/23/04/62/529230462.db2.gz TYJOMNYKNQIQDO-SECBINFHSA-N 1 2 284.364 -1.455 20 0 CAADLO CC[C@@H](O)CNc1nc(NCCO)nc(NC(C)C)[nH+]1 ZINC000420630756 529230464 /nfs/dbraw/zinc/23/04/64/529230464.db2.gz TYJOMNYKNQIQDO-SECBINFHSA-N 1 2 284.364 -1.455 20 0 CAADLO CC[C@H](C)[C@H](NC(=O)C[N@H+]1C[C@@H](O)[C@@H](O)C1)C(=O)OC ZINC000093092052 529251786 /nfs/dbraw/zinc/25/17/86/529251786.db2.gz LNJLIBZADCBDBU-GUDRVLHUSA-N 1 2 288.344 -1.272 20 0 CAADLO CC[C@H](C)[C@H](NC(=O)C[N@@H+]1C[C@@H](O)[C@@H](O)C1)C(=O)OC ZINC000093092052 529251788 /nfs/dbraw/zinc/25/17/88/529251788.db2.gz LNJLIBZADCBDBU-GUDRVLHUSA-N 1 2 288.344 -1.272 20 0 CAADLO O=S(=O)(N1CCC1)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000651882282 534973772 /nfs/dbraw/zinc/97/37/72/534973772.db2.gz JKWKICKWZULZLU-SNVBAGLBSA-N 1 2 261.347 -1.312 20 0 CAADLO O=S(=O)(N1CCC1)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000651882282 534973778 /nfs/dbraw/zinc/97/37/78/534973778.db2.gz JKWKICKWZULZLU-SNVBAGLBSA-N 1 2 261.347 -1.312 20 0 CAADLO COC(=O)C[C@@H]1C(=O)NCC[N@H+]1CCC(=O)NC(N)=O ZINC000341895818 536314939 /nfs/dbraw/zinc/31/49/39/536314939.db2.gz XMINAGPFXHJVHD-SSDOTTSWSA-N 1 2 286.288 -2.065 20 0 CAADLO COC(=O)C[C@@H]1C(=O)NCC[N@@H+]1CCC(=O)NC(N)=O ZINC000341895818 536314941 /nfs/dbraw/zinc/31/49/41/536314941.db2.gz XMINAGPFXHJVHD-SSDOTTSWSA-N 1 2 286.288 -2.065 20 0 CAADLO Cn1nnc(CN(CCO)CC[NH+]2CCOCC2)n1 ZINC000440785188 545497066 /nfs/dbraw/zinc/49/70/66/545497066.db2.gz OWVXTTRPFFFHCR-UHFFFAOYSA-N 1 2 270.337 -1.663 20 0 CAADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@H]1CCNC1=O ZINC000668255299 545497269 /nfs/dbraw/zinc/49/72/69/545497269.db2.gz XFKNKVRBSJUXLP-ZJUUUORDSA-N 1 2 255.318 -1.041 20 0 CAADLO C[C@@H]1COCC[N@H+]1CCNC(=O)[C@H]1CCNC1=O ZINC000668255299 545497270 /nfs/dbraw/zinc/49/72/70/545497270.db2.gz XFKNKVRBSJUXLP-ZJUUUORDSA-N 1 2 255.318 -1.041 20 0 CAADLO C[C@H]1COCC[N@@H+]1CCNC(=O)[C@H]1CCNC1=O ZINC000668255297 545497285 /nfs/dbraw/zinc/49/72/85/545497285.db2.gz XFKNKVRBSJUXLP-UWVGGRQHSA-N 1 2 255.318 -1.041 20 0 CAADLO C[C@H]1COCC[N@H+]1CCNC(=O)[C@H]1CCNC1=O ZINC000668255297 545497286 /nfs/dbraw/zinc/49/72/86/545497286.db2.gz XFKNKVRBSJUXLP-UWVGGRQHSA-N 1 2 255.318 -1.041 20 0 CAADLO C[C@@H](O)C[NH+]1CCN(C(=O)c2nc3n(n2)CCCN3)CC1 ZINC000668360103 545497840 /nfs/dbraw/zinc/49/78/40/545497840.db2.gz QNJWDLAAIOCNQG-SNVBAGLBSA-N 1 2 294.359 -1.510 20 0 CAADLO Cn1cc(C[NH+]2CCN(C(=O)[C@@H]3CC(=O)N3)CC2)cn1 ZINC000668368272 545497985 /nfs/dbraw/zinc/49/79/85/545497985.db2.gz XGSMDXLKERBBAM-NSHDSACASA-N 1 2 277.328 -1.047 20 0 CAADLO C[C@H](NC(=O)[C@@H]1CC(=O)NC(=O)N1)[C@H](C)[NH+]1CCOCC1 ZINC000668318945 545498103 /nfs/dbraw/zinc/49/81/03/545498103.db2.gz YQOWJOXWFYJXKB-GUBZILKMSA-N 1 2 298.343 -1.190 20 0 CAADLO C[C@@H](NC(=O)[C@@H]1CC(=O)NC(=O)N1)[C@H](C)[NH+]1CCOCC1 ZINC000668318946 545498146 /nfs/dbraw/zinc/49/81/46/545498146.db2.gz YQOWJOXWFYJXKB-UTLUCORTSA-N 1 2 298.343 -1.190 20 0 CAADLO CC(=O)N1CC[NH+](CCNC(=O)[C@@H]2CC(=O)N(C)C2)CC1 ZINC000076280230 545499332 /nfs/dbraw/zinc/49/93/32/545499332.db2.gz VRMXISQFMYTSFW-GFCCVEGCSA-N 1 2 296.371 -1.255 20 0 CAADLO CNS(=O)(=O)[C@H]1CC[N@@H+]([C@H]2CCN(C)C2=O)C1 ZINC000676738667 545499453 /nfs/dbraw/zinc/49/94/53/545499453.db2.gz BYVHDJDNNPPJFV-IUCAKERBSA-N 1 2 261.347 -1.159 20 0 CAADLO CNS(=O)(=O)[C@H]1CC[N@H+]([C@H]2CCN(C)C2=O)C1 ZINC000676738667 545499454 /nfs/dbraw/zinc/49/94/54/545499454.db2.gz BYVHDJDNNPPJFV-IUCAKERBSA-N 1 2 261.347 -1.159 20 0 CAADLO COC(=O)COCC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000600418270 545499831 /nfs/dbraw/zinc/49/98/31/545499831.db2.gz CEMXXUBTXHEDRC-SECBINFHSA-N 1 2 260.290 -1.377 20 0 CAADLO COC(=O)COCC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000600418270 545499833 /nfs/dbraw/zinc/49/98/33/545499833.db2.gz CEMXXUBTXHEDRC-SECBINFHSA-N 1 2 260.290 -1.377 20 0 CAADLO O=C(CNC(=O)[C@H]1CC(=O)N1)NCC[NH+]1CCOCC1 ZINC000668586617 545501926 /nfs/dbraw/zinc/50/19/26/545501926.db2.gz DNSZSFCWGGNWAL-SECBINFHSA-N 1 2 284.316 -2.561 20 0 CAADLO C[C@@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)[C@H]2CC(=O)N2)CC1 ZINC000665785926 545505770 /nfs/dbraw/zinc/50/57/70/545505770.db2.gz FRYWNFWHEXRQLY-GXSJLCMTSA-N 1 2 294.355 -1.314 20 0 CAADLO C[C@@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)[C@@H]2CC(=O)N2)CC1 ZINC000665785929 545505850 /nfs/dbraw/zinc/50/58/50/545505850.db2.gz FRYWNFWHEXRQLY-ONGXEEELSA-N 1 2 294.355 -1.314 20 0 CAADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)[C@H]1CCC(=O)N1C ZINC000329555924 545508144 /nfs/dbraw/zinc/50/81/44/545508144.db2.gz QFIFDDDUSMXTDV-VXGBXAGGSA-N 1 2 299.371 -1.241 20 0 CAADLO Cn1cnc(S(=O)(=O)NC[C@@H]2C[N@H+](C)CCN2C)c1 ZINC000329379326 545508207 /nfs/dbraw/zinc/50/82/07/545508207.db2.gz PIHITDOZVTVJBF-SNVBAGLBSA-N 1 2 287.389 -1.056 20 0 CAADLO Cn1cnc(S(=O)(=O)NC[C@@H]2C[N@@H+](C)CCN2C)c1 ZINC000329379326 545508212 /nfs/dbraw/zinc/50/82/12/545508212.db2.gz PIHITDOZVTVJBF-SNVBAGLBSA-N 1 2 287.389 -1.056 20 0 CAADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@@H]1CCC(=O)N1C ZINC000329555923 545508707 /nfs/dbraw/zinc/50/87/07/545508707.db2.gz QFIFDDDUSMXTDV-RYUDHWBXSA-N 1 2 299.371 -1.241 20 0 CAADLO CC(=O)N1CCN(C(=O)C[N@@H+](C)CC(=O)N(C)C)CC1 ZINC000247993416 545509908 /nfs/dbraw/zinc/50/99/08/545509908.db2.gz LYTWTLTZEBLAJE-UHFFFAOYSA-N 1 2 284.360 -1.303 20 0 CAADLO CC(=O)N1CCN(C(=O)C[N@H+](C)CC(=O)N(C)C)CC1 ZINC000247993416 545509913 /nfs/dbraw/zinc/50/99/13/545509913.db2.gz LYTWTLTZEBLAJE-UHFFFAOYSA-N 1 2 284.360 -1.303 20 0 CAADLO O=C(N[C@H]1CCOC1)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000668819821 545511894 /nfs/dbraw/zinc/51/18/94/545511894.db2.gz PSXZVRZGJJUCGD-NWDGAFQWSA-N 1 2 297.355 -1.175 20 0 CAADLO CN(CC[NH+]1CCOCC1)C(=O)[C@@H]1CCS(=O)(=O)N1 ZINC000651235316 545515765 /nfs/dbraw/zinc/51/57/65/545515765.db2.gz QVMSRPJZGSBZHL-JTQLQIEISA-N 1 2 291.373 -1.531 20 0 CAADLO C[C@H]1COCC[N@@H+]1CCNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC000651261314 545515849 /nfs/dbraw/zinc/51/58/49/545515849.db2.gz ZPWJPXPCJYFPBO-VHSXEESVSA-N 1 2 291.373 -1.485 20 0 CAADLO C[C@H]1COCC[N@H+]1CCNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC000651261314 545515852 /nfs/dbraw/zinc/51/58/52/545515852.db2.gz ZPWJPXPCJYFPBO-VHSXEESVSA-N 1 2 291.373 -1.485 20 0 CAADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC000651261315 545516620 /nfs/dbraw/zinc/51/66/20/545516620.db2.gz ZPWJPXPCJYFPBO-ZJUUUORDSA-N 1 2 291.373 -1.485 20 0 CAADLO C[C@@H]1COCC[N@H+]1CCNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC000651261315 545516625 /nfs/dbraw/zinc/51/66/25/545516625.db2.gz ZPWJPXPCJYFPBO-ZJUUUORDSA-N 1 2 291.373 -1.485 20 0 CAADLO O=C(N1CC[NH+](CCO)CC1)C1(n2cnnn2)CC1 ZINC000666189518 545517676 /nfs/dbraw/zinc/51/76/76/545517676.db2.gz BMXMJSJAXMWLGF-UHFFFAOYSA-N 1 2 266.305 -1.701 20 0 CAADLO Cn1cc(N2CC[C@@H]([N@H+]3C[C@H](O)C[C@H](O)C3)C2=O)cn1 ZINC000674466745 545518181 /nfs/dbraw/zinc/51/81/81/545518181.db2.gz NRITTWHOXGWNJL-GRYCIOLGSA-N 1 2 280.328 -1.047 20 0 CAADLO Cn1cc(N2CC[C@@H]([N@@H+]3C[C@H](O)C[C@H](O)C3)C2=O)cn1 ZINC000674466745 545518185 /nfs/dbraw/zinc/51/81/85/545518185.db2.gz NRITTWHOXGWNJL-GRYCIOLGSA-N 1 2 280.328 -1.047 20 0 CAADLO Cn1cc(N2CC[C@H]([N@H+]3C[C@H](O)C[C@H](O)C3)C2=O)cn1 ZINC000674466750 545518210 /nfs/dbraw/zinc/51/82/10/545518210.db2.gz NRITTWHOXGWNJL-TUAOUCFPSA-N 1 2 280.328 -1.047 20 0 CAADLO Cn1cc(N2CC[C@H]([N@@H+]3C[C@H](O)C[C@H](O)C3)C2=O)cn1 ZINC000674466750 545518212 /nfs/dbraw/zinc/51/82/12/545518212.db2.gz NRITTWHOXGWNJL-TUAOUCFPSA-N 1 2 280.328 -1.047 20 0 CAADLO CCCNC(=O)CN(C)C(=O)C[N@H+]1C[C@H](O)C[C@H](O)C1 ZINC000674465296 545518312 /nfs/dbraw/zinc/51/83/12/545518312.db2.gz MMLDYOHXXLLGHY-PHIMTYICSA-N 1 2 287.360 -1.602 20 0 CAADLO CCCNC(=O)CN(C)C(=O)C[N@@H+]1C[C@H](O)C[C@H](O)C1 ZINC000674465296 545518317 /nfs/dbraw/zinc/51/83/17/545518317.db2.gz MMLDYOHXXLLGHY-PHIMTYICSA-N 1 2 287.360 -1.602 20 0 CAADLO O=C(C[N@H+]1C[C@H](O)C[C@H](O)C1)NCC(=O)N1CCCC1 ZINC000674467481 545518356 /nfs/dbraw/zinc/51/83/56/545518356.db2.gz TWKSAUHDHPGNBG-PHIMTYICSA-N 1 2 285.344 -1.848 20 0 CAADLO O=C(C[N@@H+]1C[C@H](O)C[C@H](O)C1)NCC(=O)N1CCCC1 ZINC000674467481 545518361 /nfs/dbraw/zinc/51/83/61/545518361.db2.gz TWKSAUHDHPGNBG-PHIMTYICSA-N 1 2 285.344 -1.848 20 0 CAADLO CCN1C(=O)[C@@H]2C[N@@H+]([C@H](C)C(N)=O)CCN2C1=O ZINC000674470533 545518860 /nfs/dbraw/zinc/51/88/60/545518860.db2.gz XTOBSQCNVVKOEG-SFYZADRCSA-N 1 2 254.290 -1.172 20 0 CAADLO CCN1C(=O)[C@@H]2C[N@H+]([C@H](C)C(N)=O)CCN2C1=O ZINC000674470533 545518863 /nfs/dbraw/zinc/51/88/63/545518863.db2.gz XTOBSQCNVVKOEG-SFYZADRCSA-N 1 2 254.290 -1.172 20 0 CAADLO C[C@H](C[NH+]1CCOCC1)NC(=O)[C@H]1CN(C)C(=O)N1 ZINC000666430542 545519698 /nfs/dbraw/zinc/51/96/98/545519698.db2.gz WPBYTHXMLYPGLF-NXEZZACHSA-N 1 2 270.333 -1.153 20 0 CAADLO C[C@H](Cn1cc[nH+]c1)NC(=O)CNS(=O)(=O)N(C)C ZINC000666450225 545520041 /nfs/dbraw/zinc/52/00/41/545520041.db2.gz BFXUHVBQBCPIPG-SECBINFHSA-N 1 2 289.361 -1.216 20 0 CAADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)CNS(=O)(=O)N(C)C ZINC000666450230 545520186 /nfs/dbraw/zinc/52/01/86/545520186.db2.gz BFXUHVBQBCPIPG-VIFPVBQESA-N 1 2 289.361 -1.216 20 0 CAADLO CC[N@@H+]1CCOC[C@@H]1C(=O)N1CC[C@](O)(C(N)=O)C1 ZINC000355070062 545521267 /nfs/dbraw/zinc/52/12/67/545521267.db2.gz NVVOKJGKRDBKPL-BXKDBHETSA-N 1 2 271.317 -1.844 20 0 CAADLO CC[N@H+]1CCOC[C@@H]1C(=O)N1CC[C@](O)(C(N)=O)C1 ZINC000355070062 545521272 /nfs/dbraw/zinc/52/12/72/545521272.db2.gz NVVOKJGKRDBKPL-BXKDBHETSA-N 1 2 271.317 -1.844 20 0 CAADLO O=C(CN1CCOCC1=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000365675795 545521729 /nfs/dbraw/zinc/52/17/29/545521729.db2.gz JMIRGCFHHVSVMS-NSHDSACASA-N 1 2 282.344 -2.039 20 0 CAADLO O=C(C[N@@H+]1CCC[C@H]2C(=O)NC[C@@H]21)N1CCNC1=O ZINC000337209715 545522113 /nfs/dbraw/zinc/52/21/13/545522113.db2.gz BHEDDHFWEYIFFO-BDAKNGLRSA-N 1 2 266.301 -1.251 20 0 CAADLO O=C(C[N@H+]1CCC[C@H]2C(=O)NC[C@@H]21)N1CCNC1=O ZINC000337209715 545522119 /nfs/dbraw/zinc/52/21/19/545522119.db2.gz BHEDDHFWEYIFFO-BDAKNGLRSA-N 1 2 266.301 -1.251 20 0 CAADLO CS(=O)(=O)N[C@H]1CCC[N@@H+]([C@H]2CCNC2=O)C1 ZINC000245675775 545523641 /nfs/dbraw/zinc/52/36/41/545523641.db2.gz HEGHHTOGNKYCMI-IUCAKERBSA-N 1 2 261.347 -1.112 20 0 CAADLO CS(=O)(=O)N[C@H]1CCC[N@H+]([C@H]2CCNC2=O)C1 ZINC000245675775 545523642 /nfs/dbraw/zinc/52/36/42/545523642.db2.gz HEGHHTOGNKYCMI-IUCAKERBSA-N 1 2 261.347 -1.112 20 0 CAADLO CS(=O)(=O)N[C@@H]1CCC[N@@H+]([C@H]2CCNC2=O)C1 ZINC000245675768 545524021 /nfs/dbraw/zinc/52/40/21/545524021.db2.gz HEGHHTOGNKYCMI-BDAKNGLRSA-N 1 2 261.347 -1.112 20 0 CAADLO CS(=O)(=O)N[C@@H]1CCC[N@H+]([C@H]2CCNC2=O)C1 ZINC000245675768 545524023 /nfs/dbraw/zinc/52/40/23/545524023.db2.gz HEGHHTOGNKYCMI-BDAKNGLRSA-N 1 2 261.347 -1.112 20 0 CAADLO C[C@@H](NC(=O)C[N@H+]1C[C@@H](O)[C@@H](O)C1)C(=O)N1CCCCC1 ZINC000332688340 545524302 /nfs/dbraw/zinc/52/43/02/545524302.db2.gz PFNRJEAHUKBLNS-UTUOFQBUSA-N 1 2 299.371 -1.459 20 0 CAADLO C[C@@H](NC(=O)C[N@@H+]1C[C@@H](O)[C@@H](O)C1)C(=O)N1CCCCC1 ZINC000332688340 545524306 /nfs/dbraw/zinc/52/43/06/545524306.db2.gz PFNRJEAHUKBLNS-UTUOFQBUSA-N 1 2 299.371 -1.459 20 0 CAADLO Cn1c2[nH]c(C[N@H+](C)CCCO)nc2c(=O)n(C)c1=O ZINC000281933804 545529580 /nfs/dbraw/zinc/52/95/80/545529580.db2.gz SSEIHWRRIOGOAT-UHFFFAOYSA-N 1 2 281.316 -1.226 20 0 CAADLO Cn1c2[nH]c(C[N@@H+](C)CCCO)nc2c(=O)n(C)c1=O ZINC000281933804 545529583 /nfs/dbraw/zinc/52/95/83/545529583.db2.gz SSEIHWRRIOGOAT-UHFFFAOYSA-N 1 2 281.316 -1.226 20 0 CAADLO C[C@@H]1C[N@H+](CCNC(=O)[C@H]2CCNC2=O)CCO1 ZINC000667816218 545531138 /nfs/dbraw/zinc/53/11/38/545531138.db2.gz NRJUEFQOHGODQY-ZJUUUORDSA-N 1 2 255.318 -1.041 20 0 CAADLO C[C@@H]1C[N@@H+](CCNC(=O)[C@H]2CCNC2=O)CCO1 ZINC000667816218 545531141 /nfs/dbraw/zinc/53/11/41/545531141.db2.gz NRJUEFQOHGODQY-ZJUUUORDSA-N 1 2 255.318 -1.041 20 0 CAADLO C[NH+](C)C[C@H](CO)NC(=O)C(C)(C)S(C)(=O)=O ZINC000673521629 545533195 /nfs/dbraw/zinc/53/31/95/545533195.db2.gz DGYIQIQSBUGIHT-MRVPVSSYSA-N 1 2 266.363 -1.152 20 0 CAADLO CCOC(=O)[C@](C)(O)C[N@@H+]1C[C@H](O)C[C@@H]1C(=O)OC ZINC000352046680 545536366 /nfs/dbraw/zinc/53/63/66/545536366.db2.gz VJMGJFZCJHQVLS-KBVBSXBZSA-N 1 2 275.301 -1.091 20 0 CAADLO CCOC(=O)[C@](C)(O)C[N@H+]1C[C@H](O)C[C@@H]1C(=O)OC ZINC000352046680 545536369 /nfs/dbraw/zinc/53/63/69/545536369.db2.gz VJMGJFZCJHQVLS-KBVBSXBZSA-N 1 2 275.301 -1.091 20 0 CAADLO Cn1cnn(CC(=O)NCCC[N@@H+]2CCNC(=O)C2)c1=O ZINC000352457351 545538319 /nfs/dbraw/zinc/53/83/19/545538319.db2.gz WWMBITJUIPBZGR-UHFFFAOYSA-N 1 2 296.331 -2.480 20 0 CAADLO Cn1cnn(CC(=O)NCCC[N@H+]2CCNC(=O)C2)c1=O ZINC000352457351 545538325 /nfs/dbraw/zinc/53/83/25/545538325.db2.gz WWMBITJUIPBZGR-UHFFFAOYSA-N 1 2 296.331 -2.480 20 0 CAADLO O=C(CCn1ccnn1)N(CCO)CC[NH+]1CCOCC1 ZINC000338406921 545538792 /nfs/dbraw/zinc/53/87/92/545538792.db2.gz FONYNBZJTDCKBZ-UHFFFAOYSA-N 1 2 297.359 -1.179 20 0 CAADLO C[C@H](O)CN(C)C(=O)C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000670999404 545538915 /nfs/dbraw/zinc/53/89/15/545538915.db2.gz QRLOPCMQNRMYQY-QWRGUYRKSA-N 1 2 287.360 -1.338 20 0 CAADLO CNC(=O)C1(C(=O)N(CCO)CC[NH+]2CCOCC2)CC1 ZINC000338224434 545538937 /nfs/dbraw/zinc/53/89/37/545538937.db2.gz SWRSTEVYILLOIE-UHFFFAOYSA-N 1 2 299.371 -1.334 20 0 CAADLO O=C(Cc1cc[nH]n1)N[C@H](CO)C[NH+]1CCOCC1 ZINC000339220285 545538976 /nfs/dbraw/zinc/53/89/76/545538976.db2.gz ZQULBRWTNCXNFV-NSHDSACASA-N 1 2 268.317 -1.239 20 0 CAADLO CN(C)S(=O)(=O)CC(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000652891165 545539366 /nfs/dbraw/zinc/53/93/66/545539366.db2.gz CIQUMFUPAFXKHC-SNVBAGLBSA-N 1 2 291.373 -1.845 20 0 CAADLO CN(C)S(=O)(=O)CC(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000652891165 545539372 /nfs/dbraw/zinc/53/93/72/545539372.db2.gz CIQUMFUPAFXKHC-SNVBAGLBSA-N 1 2 291.373 -1.845 20 0 CAADLO C[C@H](C[NH+]1CCOCC1)NC(=O)C(=O)N[C@@H]1CCOC1 ZINC000670999234 545539486 /nfs/dbraw/zinc/53/94/86/545539486.db2.gz HUQUFONKBPTCIA-GHMZBOCLSA-N 1 2 285.344 -1.272 20 0 CAADLO O=C([C@H]1CCNC(=O)C1)N(CCO)CC[NH+]1CCOCC1 ZINC000339805984 545541775 /nfs/dbraw/zinc/54/17/75/545541775.db2.gz ZXNIYAYLNZIBJF-LBPRGKRZSA-N 1 2 299.371 -1.334 20 0 CAADLO O=C([C@@H]1CCNC(=O)C1)N(CCO)CC[NH+]1CCOCC1 ZINC000339805982 545541915 /nfs/dbraw/zinc/54/19/15/545541915.db2.gz ZXNIYAYLNZIBJF-GFCCVEGCSA-N 1 2 299.371 -1.334 20 0 CAADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NC1CCC1 ZINC000671087404 545543077 /nfs/dbraw/zinc/54/30/77/545543077.db2.gz YBMVZBWTDBBIHM-GFCCVEGCSA-N 1 2 299.371 -1.193 20 0 CAADLO O=C(Cn1cnnn1)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000174478072 545543780 /nfs/dbraw/zinc/54/37/80/545543780.db2.gz BIBPIJRZBBETMW-NSHDSACASA-N 1 2 280.332 -1.004 20 0 CAADLO CNC(=O)CC(=O)N1CC[NH+](CCOCCOC)CC1 ZINC000652998159 545543999 /nfs/dbraw/zinc/54/39/99/545543999.db2.gz ADIVNSBZRIQBIB-UHFFFAOYSA-N 1 2 287.360 -1.070 20 0 CAADLO COCCOCC[NH+]1CCN(C(=O)Cn2cnnn2)CC1 ZINC000653002011 545544500 /nfs/dbraw/zinc/54/45/00/545544500.db2.gz MSKAMDXNAUOIDN-UHFFFAOYSA-N 1 2 298.347 -1.520 20 0 CAADLO CNC(=O)CCC[NH+]1CCN(S(=O)(=O)N(C)C)CC1 ZINC000653491456 545544671 /nfs/dbraw/zinc/54/46/71/545544671.db2.gz ZJEXQCWNURNQAH-UHFFFAOYSA-N 1 2 292.405 -1.063 20 0 CAADLO COC[C@](C)(O)C(=O)N(CCO)CC[NH+]1CCOCC1 ZINC000669908313 545555734 /nfs/dbraw/zinc/55/57/34/545555734.db2.gz SLOSVEOQQNRTGZ-ZDUSSCGKSA-N 1 2 290.360 -1.463 20 0 CAADLO CNC(=O)NCC(=O)N(CCO)CC[NH+]1CCOCC1 ZINC000342077012 545547431 /nfs/dbraw/zinc/54/74/31/545547431.db2.gz DMALZYURICBECR-UHFFFAOYSA-N 1 2 288.348 -1.932 20 0 CAADLO CC(C)[C@@H]1C(=O)NCCN1C(=O)CN1CC[NH2+]CC1=O ZINC000236621949 545548226 /nfs/dbraw/zinc/54/82/26/545548226.db2.gz QMRKNZUGUBHHIA-GFCCVEGCSA-N 1 2 282.344 -1.599 20 0 CAADLO NC(=O)C1(C(=O)N(CCO)CC[NH+]2CCOCC2)CC1 ZINC000669908300 545555860 /nfs/dbraw/zinc/55/58/60/545555860.db2.gz NRBXGPHUYGSQKF-UHFFFAOYSA-N 1 2 285.344 -1.595 20 0 CAADLO COC[C@@H](O)C[N@@H+]1CCN(S(C)(=O)=O)[C@H](C)C1 ZINC000345799890 545549684 /nfs/dbraw/zinc/54/96/84/545549684.db2.gz BWLKFWRNMRFUKO-ZJUUUORDSA-N 1 2 266.363 -1.041 20 0 CAADLO COC[C@@H](O)C[N@H+]1CCN(S(C)(=O)=O)[C@H](C)C1 ZINC000345799890 545549686 /nfs/dbraw/zinc/54/96/86/545549686.db2.gz BWLKFWRNMRFUKO-ZJUUUORDSA-N 1 2 266.363 -1.041 20 0 CAADLO NC(=O)NCCC(=O)N(CCO)CC[NH+]1CCOCC1 ZINC000344786399 545550146 /nfs/dbraw/zinc/55/01/46/545550146.db2.gz HUGNTYHNKXOZMU-UHFFFAOYSA-N 1 2 288.348 -1.802 20 0 CAADLO C[C@H]1CN(C[C@H](O)C[NH+]2CCOCC2)CC(=O)N1C ZINC000669700184 545550814 /nfs/dbraw/zinc/55/08/14/545550814.db2.gz ROUWFBGXEPYGHY-NWDGAFQWSA-N 1 2 271.361 -1.158 20 0 CAADLO C[C@H]1C[N@H+](C[C@H](O)CN2CCOCC2)CC(=O)N1C ZINC000669700184 545550816 /nfs/dbraw/zinc/55/08/16/545550816.db2.gz ROUWFBGXEPYGHY-NWDGAFQWSA-N 1 2 271.361 -1.158 20 0 CAADLO C[C@H]1C[N@@H+](C[C@H](O)CN2CCOCC2)CC(=O)N1C ZINC000669700184 545550818 /nfs/dbraw/zinc/55/08/18/545550818.db2.gz ROUWFBGXEPYGHY-NWDGAFQWSA-N 1 2 271.361 -1.158 20 0 CAADLO CC(=O)N(C)CC(=O)N(CCO)CC[NH+]1CCOCC1 ZINC000344822872 545550885 /nfs/dbraw/zinc/55/08/85/545550885.db2.gz XDFKDCQAFGLCKK-UHFFFAOYSA-N 1 2 287.360 -1.382 20 0 CAADLO COC(=O)[C@H]1[C@@H](O)CCC[N@@H+]1CCCS(N)(=O)=O ZINC000444728708 545551191 /nfs/dbraw/zinc/55/11/91/545551191.db2.gz FLZRWHYLIXOUIO-DTWKUNHWSA-N 1 2 280.346 -1.337 20 0 CAADLO COC(=O)[C@H]1[C@@H](O)CCC[N@H+]1CCCS(N)(=O)=O ZINC000444728708 545551197 /nfs/dbraw/zinc/55/11/97/545551197.db2.gz FLZRWHYLIXOUIO-DTWKUNHWSA-N 1 2 280.346 -1.337 20 0 CAADLO Cc1[nH]c(C(=O)NC2CN(S(=O)(=O)N(C)C)C2)c[nH+]1 ZINC000629535943 545553098 /nfs/dbraw/zinc/55/30/98/545553098.db2.gz FGAPSGYYMGILKG-UHFFFAOYSA-N 1 2 287.345 -1.061 20 0 CAADLO O=C(CN1CC[NH2+]CC1=O)NCCOC[C@@H]1CCOC1 ZINC000645960686 545554376 /nfs/dbraw/zinc/55/43/76/545554376.db2.gz IGLYXMVKVQVRIJ-LLVKDONJSA-N 1 2 285.344 -1.413 20 0 CAADLO C[C@@H](O)C(=O)N1CC[NH+](C[C@@H]2CCC(=O)N2)CC1 ZINC000649572448 545564865 /nfs/dbraw/zinc/56/48/65/545564865.db2.gz WNWDGSPKDBDHHX-ZJUUUORDSA-N 1 2 255.318 -1.210 20 0 CAADLO COC[C@@H]1C[C@@H](O)C[N@@H+]1CC(=O)N[C@@H](C)C(=O)N(C)C ZINC000649742787 545565454 /nfs/dbraw/zinc/56/54/54/545565454.db2.gz RQFVMHIJOCAEAL-GARJFASQSA-N 1 2 287.360 -1.339 20 0 CAADLO COC[C@@H]1C[C@@H](O)C[N@H+]1CC(=O)N[C@@H](C)C(=O)N(C)C ZINC000649742787 545565456 /nfs/dbraw/zinc/56/54/56/545565456.db2.gz RQFVMHIJOCAEAL-GARJFASQSA-N 1 2 287.360 -1.339 20 0 CAADLO NC(=O)[C@@H]1CC[C@@H]1C(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000654933124 545569408 /nfs/dbraw/zinc/56/94/08/545569408.db2.gz RHECNBSDITXZJP-MXWKQRLJSA-N 1 2 266.345 -1.386 20 0 CAADLO CCNC(=O)CC(=O)N(CCO)CC[NH+]1CCOCC1 ZINC000357420070 545571140 /nfs/dbraw/zinc/57/11/40/545571140.db2.gz CJSCQZGASZTWKA-UHFFFAOYSA-N 1 2 287.360 -1.334 20 0 CAADLO C[C@@H](C(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2)S(C)(=O)=O ZINC000670409589 545571152 /nfs/dbraw/zinc/57/11/52/545571152.db2.gz PXNBPQUAXLBDAI-WDEREUQCSA-N 1 2 289.401 -1.074 20 0 CAADLO C[C@@H](C(=O)NC[C@@H]1C[N@H+]2CCN1CCC2)S(C)(=O)=O ZINC000670409589 545571156 /nfs/dbraw/zinc/57/11/56/545571156.db2.gz PXNBPQUAXLBDAI-WDEREUQCSA-N 1 2 289.401 -1.074 20 0 CAADLO COCCOCC(=O)N[C@@H](CO)C[NH+]1CCOCC1 ZINC000670385814 545571201 /nfs/dbraw/zinc/57/12/01/545571201.db2.gz PMBILCIDHGHBMN-LLVKDONJSA-N 1 2 276.333 -1.541 20 0 CAADLO CC(=O)N(C)CC(=O)N[C@H](CO)C[NH+]1CCOCC1 ZINC000670385135 545571321 /nfs/dbraw/zinc/57/13/21/545571321.db2.gz AHYAPOIJNXXKKH-NSHDSACASA-N 1 2 273.333 -1.726 20 0 CAADLO CNC(=O)CC(=O)N(CCO)CC[NH+]1CCOCC1 ZINC000356978323 545571514 /nfs/dbraw/zinc/57/15/14/545571514.db2.gz JJBQFYGTZZLDIM-UHFFFAOYSA-N 1 2 273.333 -1.724 20 0 CAADLO CCS(=O)(=O)CC(=O)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000670408585 545571655 /nfs/dbraw/zinc/57/16/55/545571655.db2.gz RRLPYFKDUGUQKI-NSHDSACASA-N 1 2 289.401 -1.073 20 0 CAADLO CCS(=O)(=O)CC(=O)NC[C@H]1C[N@H+]2CCN1CCC2 ZINC000670408585 545571658 /nfs/dbraw/zinc/57/16/58/545571658.db2.gz RRLPYFKDUGUQKI-NSHDSACASA-N 1 2 289.401 -1.073 20 0 CAADLO O=C(Cn1cnnn1)N[C@H](CO)C[NH+]1CCOCC1 ZINC000670385817 545571721 /nfs/dbraw/zinc/57/17/21/545571721.db2.gz PMGNIQIRXMSDNA-VIFPVBQESA-N 1 2 270.293 -2.518 20 0 CAADLO CS(=O)(=O)NCCN(CCO)CC[NH+]1CCOCC1 ZINC000361948259 545572219 /nfs/dbraw/zinc/57/22/19/545572219.db2.gz XRTFAAILNXDGAE-UHFFFAOYSA-N 1 2 295.405 -1.838 20 0 CAADLO O=C(CN1CC[NH2+]CC1=O)N[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000159129417 545556925 /nfs/dbraw/zinc/55/69/25/545556925.db2.gz XPRABZNVUGDZMD-BBBLOLIVSA-N 1 2 253.302 -1.146 20 0 CAADLO O=C([C@@H]1CC(=O)NC(=O)N1)N1CC[NH+](CCO)CC1 ZINC000208616913 545557107 /nfs/dbraw/zinc/55/71/07/545557107.db2.gz ZWKULISZVIOOOK-QMMMGPOBSA-N 1 2 270.289 -2.279 20 0 CAADLO O=C(NC[C@@H]1COCCO1)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000671289334 545557874 /nfs/dbraw/zinc/55/78/74/545557874.db2.gz RFLRTMFBPNGSQB-GFCCVEGCSA-N 1 2 297.355 -1.175 20 0 CAADLO O=C(NC[C@H]1COCCO1)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000671289335 545558188 /nfs/dbraw/zinc/55/81/88/545558188.db2.gz RFLRTMFBPNGSQB-LBPRGKRZSA-N 1 2 297.355 -1.175 20 0 CAADLO CC(=O)N1CC(C(=O)N(CCO)CC[NH+]2CCOCC2)C1 ZINC000350091885 545560473 /nfs/dbraw/zinc/56/04/73/545560473.db2.gz NXJTYFXBIUSCPW-UHFFFAOYSA-N 1 2 299.371 -1.382 20 0 CAADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)C(=O)N[C@@H]1CCOC1 ZINC000672281657 545561268 /nfs/dbraw/zinc/56/12/68/545561268.db2.gz CTYTUXDNAVSTTQ-GHMZBOCLSA-N 1 2 285.344 -1.272 20 0 CAADLO C[C@@H]1COCC[N@H+]1CCNC(=O)C(=O)N[C@@H]1CCOC1 ZINC000672281657 545561273 /nfs/dbraw/zinc/56/12/73/545561273.db2.gz CTYTUXDNAVSTTQ-GHMZBOCLSA-N 1 2 285.344 -1.272 20 0 CAADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)C(=O)N[C@H]1CCOC1 ZINC000672281658 545561304 /nfs/dbraw/zinc/56/13/04/545561304.db2.gz CTYTUXDNAVSTTQ-MNOVXSKESA-N 1 2 285.344 -1.272 20 0 CAADLO C[C@@H]1COCC[N@H+]1CCNC(=O)C(=O)N[C@H]1CCOC1 ZINC000672281658 545561309 /nfs/dbraw/zinc/56/13/09/545561309.db2.gz CTYTUXDNAVSTTQ-MNOVXSKESA-N 1 2 285.344 -1.272 20 0 CAADLO O=C(NCCNc1[nH+]cnc2c1OCCN2)c1ccn[nH]1 ZINC000665710703 545585253 /nfs/dbraw/zinc/58/52/53/545585253.db2.gz ABKLYWUDZMDAKB-UHFFFAOYSA-N 1 2 289.299 -1.042 20 0 CAADLO O=C(NCCNc1nc[nH+]c2c1OCCN2)c1ccn[nH]1 ZINC000665710703 545585256 /nfs/dbraw/zinc/58/52/56/545585256.db2.gz ABKLYWUDZMDAKB-UHFFFAOYSA-N 1 2 289.299 -1.042 20 0 CAADLO CCC[C@@H](C(=O)N1CC[NH+](CCO)CC1)S(N)(=O)=O ZINC000666190279 545585286 /nfs/dbraw/zinc/58/52/86/545585286.db2.gz HGGZWWPKUTVJCR-JTQLQIEISA-N 1 2 293.389 -1.420 20 0 CAADLO CN1C[C@H](C(=O)N2CC[NH+](CCO)CC2)NC1=O ZINC000666190332 545585584 /nfs/dbraw/zinc/58/55/84/545585584.db2.gz IIDWRVBWGSCZLB-SECBINFHSA-N 1 2 256.306 -1.854 20 0 CAADLO CN1C[C@@H](C(=O)N2CC[NH+](CCO)CC2)NC1=O ZINC000666190338 545585395 /nfs/dbraw/zinc/58/53/95/545585395.db2.gz IIDWRVBWGSCZLB-VIFPVBQESA-N 1 2 256.306 -1.854 20 0 CAADLO CN(C)S(=O)(=O)CC[N@@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000671692792 545584383 /nfs/dbraw/zinc/58/43/83/545584383.db2.gz LORJAUNJIZFULB-AOOOYVTPSA-N 1 2 264.347 -1.023 20 0 CAADLO CN(C)S(=O)(=O)CC[N@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000671692792 545584386 /nfs/dbraw/zinc/58/43/86/545584386.db2.gz LORJAUNJIZFULB-AOOOYVTPSA-N 1 2 264.347 -1.023 20 0 CAADLO CCC[C@H](C(=O)N1CC[NH+](CCO)CC1)S(N)(=O)=O ZINC000666190282 545584893 /nfs/dbraw/zinc/58/48/93/545584893.db2.gz HGGZWWPKUTVJCR-SNVBAGLBSA-N 1 2 293.389 -1.420 20 0 CAADLO CC1(C)C[N@H+](CCNC(=O)[C@@H]2CC(=O)NC(=O)N2)CCO1 ZINC000667827439 545590742 /nfs/dbraw/zinc/59/07/42/545590742.db2.gz UOAMNFLGLDALFW-VIFPVBQESA-N 1 2 298.343 -1.189 20 0 CAADLO CC1(C)C[N@@H+](CCNC(=O)[C@@H]2CC(=O)NC(=O)N2)CCO1 ZINC000667827439 545590749 /nfs/dbraw/zinc/59/07/49/545590749.db2.gz UOAMNFLGLDALFW-VIFPVBQESA-N 1 2 298.343 -1.189 20 0 CAADLO NS(=O)(=O)CCCCNc1[nH+]cnc2c1OCCN2 ZINC000665720925 545585808 /nfs/dbraw/zinc/58/58/08/545585808.db2.gz WAIKZOPDKBSQJC-UHFFFAOYSA-N 1 2 287.345 -1.126 20 0 CAADLO NS(=O)(=O)CCCCNc1nc[nH+]c2c1OCCN2 ZINC000665720925 545585812 /nfs/dbraw/zinc/58/58/12/545585812.db2.gz WAIKZOPDKBSQJC-UHFFFAOYSA-N 1 2 287.345 -1.126 20 0 CAADLO COC[C@@H](OC)C(=O)NCC[NH+]1CCN(C(C)=O)CC1 ZINC000666399852 545586619 /nfs/dbraw/zinc/58/66/19/545586619.db2.gz WNNXAQYHMYGLCI-GFCCVEGCSA-N 1 2 287.360 -1.072 20 0 CAADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2CC(=O)N2)CC1 ZINC000666268558 545586656 /nfs/dbraw/zinc/58/66/56/545586656.db2.gz KSNVWJBCFPUTCS-JTQLQIEISA-N 1 2 282.344 -1.455 20 0 CAADLO CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2CC(=O)N2)CC1 ZINC000666268558 545586661 /nfs/dbraw/zinc/58/66/61/545586661.db2.gz KSNVWJBCFPUTCS-JTQLQIEISA-N 1 2 282.344 -1.455 20 0 CAADLO COC[C@H](OC)C(=O)NCC[NH+]1CCN(C(C)=O)CC1 ZINC000666399853 545586832 /nfs/dbraw/zinc/58/68/32/545586832.db2.gz WNNXAQYHMYGLCI-LBPRGKRZSA-N 1 2 287.360 -1.072 20 0 CAADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC000666451588 545586853 /nfs/dbraw/zinc/58/68/53/545586853.db2.gz LWUFZRNHAYELKO-YUMQZZPRSA-N 1 2 265.273 -1.014 20 0 CAADLO CC(=O)N1CC[NH+](CCNC(=O)[C@@H]2CC(=O)N2)CC1 ZINC000666399233 545586875 /nfs/dbraw/zinc/58/68/75/545586875.db2.gz FDLBFPZMLSQCPZ-JTQLQIEISA-N 1 2 268.317 -1.845 20 0 CAADLO CN(CC[NH+]1CCOCC1)C(=O)[C@H]1CCNC1=O ZINC000668000349 545591259 /nfs/dbraw/zinc/59/12/59/545591259.db2.gz FZXXRRSYRMWIPU-JTQLQIEISA-N 1 2 255.318 -1.087 20 0 CAADLO O=C1NC[C@H]2C[N@H+](Cc3cnn4c3CCC4)CCN2C1=O ZINC000667694786 545589752 /nfs/dbraw/zinc/58/97/52/545589752.db2.gz ZKQAORLZJVYQLL-NSHDSACASA-N 1 2 289.339 -1.028 20 0 CAADLO O=C1NC[C@H]2C[N@@H+](Cc3cnn4c3CCC4)CCN2C1=O ZINC000667694786 545589754 /nfs/dbraw/zinc/58/97/54/545589754.db2.gz ZKQAORLZJVYQLL-NSHDSACASA-N 1 2 289.339 -1.028 20 0 CAADLO O=C1NC[C@@H]2C[N@H+](Cc3cnn4c3CCC4)CCN2C1=O ZINC000667694785 545590023 /nfs/dbraw/zinc/59/00/23/545590023.db2.gz ZKQAORLZJVYQLL-LLVKDONJSA-N 1 2 289.339 -1.028 20 0 CAADLO O=C1NC[C@@H]2C[N@@H+](Cc3cnn4c3CCC4)CCN2C1=O ZINC000667694785 545590025 /nfs/dbraw/zinc/59/00/25/545590025.db2.gz ZKQAORLZJVYQLL-LLVKDONJSA-N 1 2 289.339 -1.028 20 0 CAADLO Cn1c[nH+]c([C@@H]2CN(C(=O)c3nc[nH]n3)C[C@H]2C(N)=O)c1 ZINC001275260141 782169073 /nfs/dbraw/zinc/16/90/73/782169073.db2.gz CXSOUONASKBVLN-HTQZYQBOSA-N 1 2 289.299 -1.121 20 0 CAADLO CCNC(=O)CC(=O)N[C@H](C)[C@H](C)[NH2+]Cc1nnn(C)n1 ZINC001275384542 782171836 /nfs/dbraw/zinc/17/18/36/782171836.db2.gz ADZCQSMCWWCNER-DTWKUNHWSA-N 1 2 297.363 -1.281 20 0 CAADLO C[C@H](CNC(=O)[C@@H]1CCNC1=O)[N@H+](C)Cc1cnnn1C ZINC001275897394 782181960 /nfs/dbraw/zinc/18/19/60/782181960.db2.gz NARPIAHDBOOZAR-MWLCHTKSSA-N 1 2 294.359 -1.112 20 0 CAADLO C[C@@H](CNC(=O)[C@H]1CCNC1=O)[N@H+](C)Cc1cnnn1C ZINC001275897395 782182767 /nfs/dbraw/zinc/18/27/67/782182767.db2.gz NARPIAHDBOOZAR-ONGXEEELSA-N 1 2 294.359 -1.112 20 0 CAADLO C[C@@H](CNC(=O)[C@H]1CCNC1=O)[N@@H+](C)Cc1cnnn1C ZINC001275897395 782182771 /nfs/dbraw/zinc/18/27/71/782182771.db2.gz NARPIAHDBOOZAR-ONGXEEELSA-N 1 2 294.359 -1.112 20 0 CAADLO C[C@H](CNC(=O)C(N)=O)[N@H+](C)CC(=O)NC(C)(C)C ZINC001275920067 782182783 /nfs/dbraw/zinc/18/27/83/782182783.db2.gz HXOYTTOBOUFTAC-MRVPVSSYSA-N 1 2 272.349 -1.177 20 0 CAADLO C[C@H](CNC(=O)C(N)=O)[N@@H+](C)CC(=O)NC(C)(C)C ZINC001275920067 782182786 /nfs/dbraw/zinc/18/27/86/782182786.db2.gz HXOYTTOBOUFTAC-MRVPVSSYSA-N 1 2 272.349 -1.177 20 0 CAADLO C[C@H](CNC(=O)[C@@H]1CCNC1=O)[N@@H+](C)Cc1cnnn1C ZINC001275897394 782181961 /nfs/dbraw/zinc/18/19/61/782181961.db2.gz NARPIAHDBOOZAR-MWLCHTKSSA-N 1 2 294.359 -1.112 20 0 CAADLO NC(=O)C(=O)NCC1CN(C(=O)CCn2cc[nH+]c2)C1 ZINC001297259864 782184119 /nfs/dbraw/zinc/18/41/19/782184119.db2.gz YMQNSWLPOCMVFG-UHFFFAOYSA-N 1 2 279.300 -1.667 20 0 CAADLO C[C@@H](CNC(=O)c1ncn[nH]1)[N@H+](C)[C@H]1CCC(=O)NC1=O ZINC001275962797 782184144 /nfs/dbraw/zinc/18/41/44/782184144.db2.gz JRVVLSYRROPRCA-YUMQZZPRSA-N 1 2 294.315 -1.340 20 0 CAADLO C[C@@H](CNC(=O)c1ncn[nH]1)[N@@H+](C)[C@H]1CCC(=O)NC1=O ZINC001275962797 782184150 /nfs/dbraw/zinc/18/41/50/782184150.db2.gz JRVVLSYRROPRCA-YUMQZZPRSA-N 1 2 294.315 -1.340 20 0 CAADLO C[C@@H](CNC(=O)c1nc[nH]n1)[N@H+](C)[C@H]1CCC(=O)NC1=O ZINC001275962797 782184154 /nfs/dbraw/zinc/18/41/54/782184154.db2.gz JRVVLSYRROPRCA-YUMQZZPRSA-N 1 2 294.315 -1.340 20 0 CAADLO C[C@@H](CNC(=O)Cc1nnc[nH]1)[N@H+](C)[C@@H](C)C(N)=O ZINC001275969906 782185354 /nfs/dbraw/zinc/18/53/54/782185354.db2.gz HIKNQAKZQCNQEP-YUMQZZPRSA-N 1 2 268.321 -1.343 20 0 CAADLO C[C@@H](CNC(=O)Cc1nnc[nH]1)[N@@H+](C)[C@@H](C)C(N)=O ZINC001275969906 782185359 /nfs/dbraw/zinc/18/53/59/782185359.db2.gz HIKNQAKZQCNQEP-YUMQZZPRSA-N 1 2 268.321 -1.343 20 0 CAADLO C[C@H](C(N)=O)[N@@H+](C)[C@@H](C)CNC(=O)Cc1nnc[nH]1 ZINC001275969804 782185672 /nfs/dbraw/zinc/18/56/72/782185672.db2.gz HIKNQAKZQCNQEP-JGVFFNPUSA-N 1 2 268.321 -1.343 20 0 CAADLO C[C@H](C(N)=O)[N@H+](C)[C@@H](C)CNC(=O)Cc1nnc[nH]1 ZINC001275969804 782185673 /nfs/dbraw/zinc/18/56/73/782185673.db2.gz HIKNQAKZQCNQEP-JGVFFNPUSA-N 1 2 268.321 -1.343 20 0 CAADLO O=C(NC[C@@H]1C[NH+]2CCN1CC2)[C@H]1CCCNC1=O ZINC000866861924 582110775 /nfs/dbraw/zinc/11/07/75/582110775.db2.gz ZFSDUJSTFWKJDY-MNOVXSKESA-N 1 2 266.345 -1.371 20 0 CAADLO O=C(NC[C@H]1C[NH+]2CCN1CC2)[C@H]1CCC(=O)O1 ZINC000866861741 582110812 /nfs/dbraw/zinc/11/08/12/582110812.db2.gz VLDYGIZPIBEPJT-VHSXEESVSA-N 1 2 253.302 -1.192 20 0 CAADLO C[C@@H](C(=O)N(C)C)[N@@H+]1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000408021369 582111878 /nfs/dbraw/zinc/11/18/78/582111878.db2.gz HXPNNURDNOCLHH-YUMQZZPRSA-N 1 2 254.290 -1.301 20 0 CAADLO C[C@@H](C(=O)N(C)C)[N@H+]1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000408021369 582111879 /nfs/dbraw/zinc/11/18/79/582111879.db2.gz HXPNNURDNOCLHH-YUMQZZPRSA-N 1 2 254.290 -1.301 20 0 CAADLO C[C@H](C(=O)N(C)C)[N@@H+]1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000408021361 582111900 /nfs/dbraw/zinc/11/19/00/582111900.db2.gz HXPNNURDNOCLHH-HTQZYQBOSA-N 1 2 254.290 -1.301 20 0 CAADLO C[C@H](C(=O)N(C)C)[N@H+]1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000408021361 582111901 /nfs/dbraw/zinc/11/19/01/582111901.db2.gz HXPNNURDNOCLHH-HTQZYQBOSA-N 1 2 254.290 -1.301 20 0 CAADLO O=C1NC[C@H]2CN(c3nccn4c[nH+]cc34)CCN2C1=O ZINC000892845652 582112135 /nfs/dbraw/zinc/11/21/35/582112135.db2.gz DVCVTMBILZCMOB-VIFPVBQESA-N 1 2 286.295 -1.124 20 0 CAADLO CN(C)c1cc(N2CCN3C(=O)C(=O)NC[C@@H]3C2)nc[nH+]1 ZINC000892847610 582112162 /nfs/dbraw/zinc/11/21/62/582112162.db2.gz PDRBIGHLTVAUKW-SECBINFHSA-N 1 2 290.327 -1.310 20 0 CAADLO CN(C)c1cc(N2CCN3C(=O)C(=O)NC[C@@H]3C2)[nH+]cn1 ZINC000892847610 582112163 /nfs/dbraw/zinc/11/21/63/582112163.db2.gz PDRBIGHLTVAUKW-SECBINFHSA-N 1 2 290.327 -1.310 20 0 CAADLO O=C1NC[C@@H]2CN(c3nccn4c[nH+]cc34)CCN2C1=O ZINC000892845638 582112200 /nfs/dbraw/zinc/11/22/00/582112200.db2.gz DVCVTMBILZCMOB-SECBINFHSA-N 1 2 286.295 -1.124 20 0 CAADLO C[NH+](C)C[C@H](CO)NC(=O)C[C@@H]1SC(=N)NC1=O ZINC000854467669 582112532 /nfs/dbraw/zinc/11/25/32/582112532.db2.gz XJBSRKXWBTYPGZ-RQJHMYQMSA-N 1 2 274.346 -1.418 20 0 CAADLO C[NH+](C)C[C@H](CO)NC(=O)C[C@H]1SC(=N)NC1=O ZINC000854467668 582112541 /nfs/dbraw/zinc/11/25/41/582112541.db2.gz XJBSRKXWBTYPGZ-RNFRBKRXSA-N 1 2 274.346 -1.418 20 0 CAADLO CC[N@@H+]1CCOC[C@H]1C(=O)N1CCC(=O)NCC12COC2 ZINC000893790246 582113060 /nfs/dbraw/zinc/11/30/60/582113060.db2.gz DLQKTYAHLAEDRN-NSHDSACASA-N 1 2 297.355 -1.175 20 0 CAADLO CC[N@H+]1CCOC[C@H]1C(=O)N1CCC(=O)NCC12COC2 ZINC000893790246 582113062 /nfs/dbraw/zinc/11/30/62/582113062.db2.gz DLQKTYAHLAEDRN-NSHDSACASA-N 1 2 297.355 -1.175 20 0 CAADLO NC(=O)CN1CCN(c2nccn3c[nH+]cc23)CC1=O ZINC000894161700 582113346 /nfs/dbraw/zinc/11/33/46/582113346.db2.gz LCSACQDJPMALAZ-UHFFFAOYSA-N 1 2 274.284 -1.137 20 0 CAADLO C[C@@H]1C[N@H+](CCNC(=O)NCCS(N)(=O)=O)CCO1 ZINC000726255277 582113418 /nfs/dbraw/zinc/11/34/18/582113418.db2.gz SVBIABKFAZDNPV-SECBINFHSA-N 1 2 294.377 -1.705 20 0 CAADLO C[C@@H]1C[N@@H+](CCNC(=O)NCCS(N)(=O)=O)CCO1 ZINC000726255277 582113419 /nfs/dbraw/zinc/11/34/19/582113419.db2.gz SVBIABKFAZDNPV-SECBINFHSA-N 1 2 294.377 -1.705 20 0 CAADLO C[C@H]1C[N@H+](CCNC(=O)N2CCNC(=O)C2)CCO1 ZINC000726252665 582113439 /nfs/dbraw/zinc/11/34/39/582113439.db2.gz IYHOLDSYDWJHQK-JTQLQIEISA-N 1 2 270.333 -1.152 20 0 CAADLO C[C@H]1C[N@@H+](CCNC(=O)N2CCNC(=O)C2)CCO1 ZINC000726252665 582113440 /nfs/dbraw/zinc/11/34/40/582113440.db2.gz IYHOLDSYDWJHQK-JTQLQIEISA-N 1 2 270.333 -1.152 20 0 CAADLO NS(=O)(=O)N1CC[NH+](CCn2ccccc2=O)CC1 ZINC000726185000 582113458 /nfs/dbraw/zinc/11/34/58/582113458.db2.gz GMNDLRIULIHEON-UHFFFAOYSA-N 1 2 286.357 -1.331 20 0 CAADLO C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@@H+]1CCCNC(=O)C1 ZINC000726790570 582113544 /nfs/dbraw/zinc/11/35/44/582113544.db2.gz FXBILPLECCVXDM-MNOVXSKESA-N 1 2 296.371 -1.079 20 0 CAADLO C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@H+]1CCCNC(=O)C1 ZINC000726790570 582113545 /nfs/dbraw/zinc/11/35/45/582113545.db2.gz FXBILPLECCVXDM-MNOVXSKESA-N 1 2 296.371 -1.079 20 0 CAADLO C[C@H]1C[N@H+](CCc2nnnn2C)CCN1S(C)(=O)=O ZINC000878380402 582113568 /nfs/dbraw/zinc/11/35/68/582113568.db2.gz ZSVJLBWTWQZTPS-VIFPVBQESA-N 1 2 288.377 -1.282 20 0 CAADLO C[C@H]1C[N@@H+](CCc2nnnn2C)CCN1S(C)(=O)=O ZINC000878380402 582113569 /nfs/dbraw/zinc/11/35/69/582113569.db2.gz ZSVJLBWTWQZTPS-VIFPVBQESA-N 1 2 288.377 -1.282 20 0 CAADLO C[C@@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[N@@H+]1CCCNC(=O)C1 ZINC000726790574 582113625 /nfs/dbraw/zinc/11/36/25/582113625.db2.gz FXBILPLECCVXDM-WDEREUQCSA-N 1 2 296.371 -1.079 20 0 CAADLO C[C@@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[N@H+]1CCCNC(=O)C1 ZINC000726790574 582113626 /nfs/dbraw/zinc/11/36/26/582113626.db2.gz FXBILPLECCVXDM-WDEREUQCSA-N 1 2 296.371 -1.079 20 0 CAADLO O=C(NCC[NH+]1CCOCC1)N1CCCNC(=O)C1 ZINC000726850576 582113758 /nfs/dbraw/zinc/11/37/58/582113758.db2.gz PGZJEYLUWFEPTD-UHFFFAOYSA-N 1 2 270.333 -1.150 20 0 CAADLO COC(=O)CN(CC[NH+]1CCOCC1)C(=O)CO ZINC000895071357 582114713 /nfs/dbraw/zinc/11/47/13/582114713.db2.gz IJEQCCGYBLQTMH-UHFFFAOYSA-N 1 2 260.290 -1.688 20 0 CAADLO COC(=O)[C@@H]1[C@H](C[N@@H+]2C[C@H](O)C[C@H]2C(N)=O)C1(F)F ZINC000895368596 582115329 /nfs/dbraw/zinc/11/53/29/582115329.db2.gz UXIIGPHHSOYCJD-KVPKETBZSA-N 1 2 278.255 -1.039 20 0 CAADLO COC(=O)[C@@H]1[C@H](C[N@H+]2C[C@H](O)C[C@H]2C(N)=O)C1(F)F ZINC000895368596 582115330 /nfs/dbraw/zinc/11/53/30/582115330.db2.gz UXIIGPHHSOYCJD-KVPKETBZSA-N 1 2 278.255 -1.039 20 0 CAADLO COC(=O)[C@@H]1[C@@H](C[N@@H+]2C[C@H](O)C[C@H]2C(N)=O)C1(F)F ZINC000895368597 582115339 /nfs/dbraw/zinc/11/53/39/582115339.db2.gz UXIIGPHHSOYCJD-NGJRWZKOSA-N 1 2 278.255 -1.039 20 0 CAADLO COC(=O)[C@@H]1[C@@H](C[N@H+]2C[C@H](O)C[C@H]2C(N)=O)C1(F)F ZINC000895368597 582115340 /nfs/dbraw/zinc/11/53/40/582115340.db2.gz UXIIGPHHSOYCJD-NGJRWZKOSA-N 1 2 278.255 -1.039 20 0 CAADLO COC(=O)[C@H]1[C@H](C[N@@H+]2C[C@H](O)C[C@H]2C(N)=O)C1(F)F ZINC000895368599 582115375 /nfs/dbraw/zinc/11/53/75/582115375.db2.gz UXIIGPHHSOYCJD-VGRMVHKJSA-N 1 2 278.255 -1.039 20 0 CAADLO COC(=O)[C@H]1[C@H](C[N@H+]2C[C@H](O)C[C@H]2C(N)=O)C1(F)F ZINC000895368599 582115377 /nfs/dbraw/zinc/11/53/77/582115377.db2.gz UXIIGPHHSOYCJD-VGRMVHKJSA-N 1 2 278.255 -1.039 20 0 CAADLO COC(=O)c1nccc(NC[C@]2(CO)COCC[N@@H+]2C)n1 ZINC000895612578 582115560 /nfs/dbraw/zinc/11/55/60/582115560.db2.gz PVPFMYGCTUETRC-ZDUSSCGKSA-N 1 2 296.327 -1.210 20 0 CAADLO COC(=O)c1nccc(NC[C@]2(CO)COCC[N@H+]2C)n1 ZINC000895612578 582115563 /nfs/dbraw/zinc/11/55/63/582115563.db2.gz PVPFMYGCTUETRC-ZDUSSCGKSA-N 1 2 296.327 -1.210 20 0 CAADLO CCn1cc(C[NH2+]C2CN(S(=O)(=O)N(C)C)C2)nn1 ZINC000895660735 582115658 /nfs/dbraw/zinc/11/56/58/582115658.db2.gz RULAMYWMCOWLOU-UHFFFAOYSA-N 1 2 288.377 -1.122 20 0 CAADLO C[C@@H]1CO[C@H](C(=O)NCC(=O)NCC[NH+]2CCOCC2)C1 ZINC000895855712 582115796 /nfs/dbraw/zinc/11/57/96/582115796.db2.gz QBGQMWOLWLJMJS-RYUDHWBXSA-N 1 2 299.371 -1.024 20 0 CAADLO C[C@H]1CO[C@@H](C(=O)NCC(=O)NCC[NH+]2CCOCC2)C1 ZINC000895855713 582115799 /nfs/dbraw/zinc/11/57/99/582115799.db2.gz QBGQMWOLWLJMJS-VXGBXAGGSA-N 1 2 299.371 -1.024 20 0 CAADLO O=S1(=O)NC[C@@H]2CN(c3cc(CO)cc[nH+]3)CCN21 ZINC000896597914 582116228 /nfs/dbraw/zinc/11/62/28/582116228.db2.gz XMKIQVDIQWLNKX-SNVBAGLBSA-N 1 2 284.341 -1.088 20 0 CAADLO C[C@@]1(C(=O)NCCC[N@@H+]2CCNC(=O)C2)CCNC(=O)C1 ZINC000897080267 582116561 /nfs/dbraw/zinc/11/65/61/582116561.db2.gz SFHPJGLBVDUMIK-CQSZACIVSA-N 1 2 296.371 -1.159 20 0 CAADLO C[C@@]1(C(=O)NCCC[N@H+]2CCNC(=O)C2)CCNC(=O)C1 ZINC000897080267 582116562 /nfs/dbraw/zinc/11/65/62/582116562.db2.gz SFHPJGLBVDUMIK-CQSZACIVSA-N 1 2 296.371 -1.159 20 0 CAADLO O=C(NC[C@H]1C[NH+]2CCN1CC2)c1cccn2nnnc12 ZINC000897146481 582116611 /nfs/dbraw/zinc/11/66/11/582116611.db2.gz TZEYSTPLUCATBZ-JTQLQIEISA-N 1 2 287.327 -1.146 20 0 CAADLO C[C@H]1COCC[N@@H+]1CCNC(=S)NCC(N)=O ZINC000729160709 582117548 /nfs/dbraw/zinc/11/75/48/582117548.db2.gz BGCKQWBMSPNRHM-QMMMGPOBSA-N 1 2 260.363 -1.344 20 0 CAADLO C[C@H]1COCC[N@H+]1CCNC(=S)NCC(N)=O ZINC000729160709 582117549 /nfs/dbraw/zinc/11/75/49/582117549.db2.gz BGCKQWBMSPNRHM-QMMMGPOBSA-N 1 2 260.363 -1.344 20 0 CAADLO CC[N@@H+]1CC[C@H]1CNC(=O)C(=O)NCCS(C)(=O)=O ZINC000897477024 582117738 /nfs/dbraw/zinc/11/77/38/582117738.db2.gz GRERJBWHHRJBJE-VIFPVBQESA-N 1 2 291.373 -1.642 20 0 CAADLO CC[N@H+]1CC[C@H]1CNC(=O)C(=O)NCCS(C)(=O)=O ZINC000897477024 582117739 /nfs/dbraw/zinc/11/77/39/582117739.db2.gz GRERJBWHHRJBJE-VIFPVBQESA-N 1 2 291.373 -1.642 20 0 CAADLO C[N@@H+]1CCN(C(=O)[C@H]2CCS(=O)(=O)N2)C[C@@H]1CO ZINC000864077970 582117942 /nfs/dbraw/zinc/11/79/42/582117942.db2.gz KCGSODYYNORAGY-RKDXNWHRSA-N 1 2 277.346 -2.187 20 0 CAADLO C[N@H+]1CCN(C(=O)[C@H]2CCS(=O)(=O)N2)C[C@@H]1CO ZINC000864077970 582117943 /nfs/dbraw/zinc/11/79/43/582117943.db2.gz KCGSODYYNORAGY-RKDXNWHRSA-N 1 2 277.346 -2.187 20 0 CAADLO CS(=O)(=O)C1CN(C(=O)C2C[NH+]([C@@H]3CCOC3)C2)C1 ZINC000897937013 582118964 /nfs/dbraw/zinc/11/89/64/582118964.db2.gz DFXHOJKRDCRTKI-SNVBAGLBSA-N 1 2 288.369 -1.038 20 0 CAADLO CS(=O)(=O)C1CN(C(=O)C2C[NH+]([C@H]3CCOC3)C2)C1 ZINC000897937012 582119026 /nfs/dbraw/zinc/11/90/26/582119026.db2.gz DFXHOJKRDCRTKI-JTQLQIEISA-N 1 2 288.369 -1.038 20 0 CAADLO CCONC(=O)CNC(=O)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000898279532 582119282 /nfs/dbraw/zinc/11/92/82/582119282.db2.gz FKPWJWFRONABSO-SNVBAGLBSA-N 1 2 271.317 -1.109 20 0 CAADLO C[N@@H+]1CCO[C@@H](C(=O)N2CCO[C@@H](c3nn[nH]n3)C2)C1 ZINC000746236647 582119754 /nfs/dbraw/zinc/11/97/54/582119754.db2.gz KYEOBYJGKWHPBK-RKDXNWHRSA-N 1 2 282.304 -1.570 20 0 CAADLO C[N@H+]1CCO[C@@H](C(=O)N2CCO[C@@H](c3nn[nH]n3)C2)C1 ZINC000746236647 582119755 /nfs/dbraw/zinc/11/97/55/582119755.db2.gz KYEOBYJGKWHPBK-RKDXNWHRSA-N 1 2 282.304 -1.570 20 0 CAADLO C[C@]1(C(=O)N[C@@H](CO)C[NH+]2CCOCC2)CCNC(=O)C1 ZINC000898906346 582120198 /nfs/dbraw/zinc/12/01/98/582120198.db2.gz DNMAHLPXKZJHAS-RISCZKNCSA-N 1 2 299.371 -1.288 20 0 CAADLO O=C(NCC[N@@H+]1CCC2(C1)OCCO2)c1cn[nH]n1 ZINC000899055579 582120321 /nfs/dbraw/zinc/12/03/21/582120321.db2.gz PKEIUVLBHXDGHL-UHFFFAOYSA-N 1 2 267.289 -1.017 20 0 CAADLO O=C(NCC[N@H+]1CCC2(C1)OCCO2)c1cn[nH]n1 ZINC000899055579 582120322 /nfs/dbraw/zinc/12/03/22/582120322.db2.gz PKEIUVLBHXDGHL-UHFFFAOYSA-N 1 2 267.289 -1.017 20 0 CAADLO O=C(NCC[N@@H+]1CCC2(C1)OCCO2)c1cnn[nH]1 ZINC000899055579 582120323 /nfs/dbraw/zinc/12/03/23/582120323.db2.gz PKEIUVLBHXDGHL-UHFFFAOYSA-N 1 2 267.289 -1.017 20 0 CAADLO O=C(NCC[N@H+]1CCC2(C1)OCCO2)c1cnn[nH]1 ZINC000899055579 582120324 /nfs/dbraw/zinc/12/03/24/582120324.db2.gz PKEIUVLBHXDGHL-UHFFFAOYSA-N 1 2 267.289 -1.017 20 0 CAADLO CONC(=O)CNC(=S)NCCC[NH+]1CCOCC1 ZINC000899572790 582121199 /nfs/dbraw/zinc/12/11/99/582121199.db2.gz ILKBZIFHHLLGPU-UHFFFAOYSA-N 1 2 290.389 -1.150 20 0 CAADLO CCOC(=O)C[C@H](O)C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000600420808 582122792 /nfs/dbraw/zinc/12/27/92/582122792.db2.gz LADGPNOBXMEQCJ-ZJUUUORDSA-N 1 2 274.317 -1.253 20 0 CAADLO CCOC(=O)C[C@H](O)C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000600420808 582122794 /nfs/dbraw/zinc/12/27/94/582122794.db2.gz LADGPNOBXMEQCJ-ZJUUUORDSA-N 1 2 274.317 -1.253 20 0 CAADLO CS(=O)(=O)NC1C[NH+](C[C@H](O)C2(O)CCC2)C1 ZINC000899893991 582122881 /nfs/dbraw/zinc/12/28/81/582122881.db2.gz YVTOHYKUXJEUBJ-VIFPVBQESA-N 1 2 264.347 -1.504 20 0 CAADLO CN1CC[C@@H](C(=O)N2CC[NH+](C)CC2)S1(=O)=O ZINC000648712336 582123143 /nfs/dbraw/zinc/12/31/43/582123143.db2.gz RMQAOEQWCPISJQ-VIFPVBQESA-N 1 2 261.347 -1.206 20 0 CAADLO CC[C@H]1COCC[N@@H+]1CCNC(=O)CNC(N)=O ZINC000874699149 582123365 /nfs/dbraw/zinc/12/33/65/582123365.db2.gz PINHNGXFDYCRGL-VIFPVBQESA-N 1 2 258.322 -1.118 20 0 CAADLO CC[C@H]1COCC[N@H+]1CCNC(=O)CNC(N)=O ZINC000874699149 582123366 /nfs/dbraw/zinc/12/33/66/582123366.db2.gz PINHNGXFDYCRGL-VIFPVBQESA-N 1 2 258.322 -1.118 20 0 CAADLO CONC(=O)CNC(=O)C[C@@]1(O)CCC[N@H+](C)C1 ZINC000832740844 582124131 /nfs/dbraw/zinc/12/41/31/582124131.db2.gz HANPYIYGGJDLIB-NSHDSACASA-N 1 2 259.306 -1.373 20 0 CAADLO CONC(=O)CNC(=O)C[C@@]1(O)CCC[N@@H+](C)C1 ZINC000832740844 582124132 /nfs/dbraw/zinc/12/41/32/582124132.db2.gz HANPYIYGGJDLIB-NSHDSACASA-N 1 2 259.306 -1.373 20 0 CAADLO CO[C@H](C)CC(=O)NCC(=O)NCC[NH+]1CCOCC1 ZINC000732156254 582125016 /nfs/dbraw/zinc/12/50/16/582125016.db2.gz IRZKBFQITDJXGB-LLVKDONJSA-N 1 2 287.360 -1.024 20 0 CAADLO CN(Cc1cn[nH]c1)C(=O)CN1CC[NH2+]CC1=O ZINC000649335427 582126044 /nfs/dbraw/zinc/12/60/44/582126044.db2.gz ZCXBMSZFWHKWOT-UHFFFAOYSA-N 1 2 251.290 -1.200 20 0 CAADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)c1nc2n(n1)CCCN2 ZINC000649320714 582126166 /nfs/dbraw/zinc/12/61/66/582126166.db2.gz YRJYRQYETKMPSJ-SNVBAGLBSA-N 1 2 294.359 -1.198 20 0 CAADLO C[C@@H]1COCC[N@H+]1CCNC(=O)c1nc2n(n1)CCCN2 ZINC000649320714 582126167 /nfs/dbraw/zinc/12/61/67/582126167.db2.gz YRJYRQYETKMPSJ-SNVBAGLBSA-N 1 2 294.359 -1.198 20 0 CAADLO Cn1cc(C(=O)NC[C@@H]2C[N@H+](C)CCO2)c(=O)n(C)c1=O ZINC000735037008 582127929 /nfs/dbraw/zinc/12/79/29/582127929.db2.gz DHRUEXHAGPSOBB-SECBINFHSA-N 1 2 296.327 -1.856 20 0 CAADLO Cn1cc(C(=O)NC[C@@H]2C[N@@H+](C)CCO2)c(=O)n(C)c1=O ZINC000735037008 582127930 /nfs/dbraw/zinc/12/79/30/582127930.db2.gz DHRUEXHAGPSOBB-SECBINFHSA-N 1 2 296.327 -1.856 20 0 CAADLO COC(=O)[C@H]1CC[N@H+](CC(=O)NCc2nn[nH]n2)C1 ZINC000736912068 582134411 /nfs/dbraw/zinc/13/44/11/582134411.db2.gz LPYSSIIQOCSVOZ-ZETCQYMHSA-N 1 2 268.277 -1.689 20 0 CAADLO COC(=O)[C@H]1CC[N@@H+](CC(=O)NCc2nn[nH]n2)C1 ZINC000736912068 582134412 /nfs/dbraw/zinc/13/44/12/582134412.db2.gz LPYSSIIQOCSVOZ-ZETCQYMHSA-N 1 2 268.277 -1.689 20 0 CAADLO Cn1c[nH+]c(CNC(=O)[C@@H]2OCCN(C)C2=O)c1 ZINC000890103257 582135826 /nfs/dbraw/zinc/13/58/26/582135826.db2.gz HXXYIPXQCAPJFK-VIFPVBQESA-N 1 2 252.274 -1.107 20 0 CAADLO Cn1c[nH+]c(CNC(=O)[C@H]2OCCN(C)C2=O)c1 ZINC000890103256 582135844 /nfs/dbraw/zinc/13/58/44/582135844.db2.gz HXXYIPXQCAPJFK-SECBINFHSA-N 1 2 252.274 -1.107 20 0 CAADLO O=S(=O)(CCn1cccn1)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000866994139 582139779 /nfs/dbraw/zinc/13/97/79/582139779.db2.gz GKJFWANHMRUPOT-GFCCVEGCSA-N 1 2 299.400 -1.198 20 0 CAADLO O=C(CN1CCOCC1)N1CC[NH+](C[C@H](O)CO)CC1 ZINC000839278548 582139880 /nfs/dbraw/zinc/13/98/80/582139880.db2.gz KKWKAIXXBGQTHQ-LBPRGKRZSA-N 1 2 287.360 -2.184 20 0 CAADLO C[S@](=O)CC[NH+]1CCN(C(=O)[C@@H]2COCCO2)CC1 ZINC000741141751 582140125 /nfs/dbraw/zinc/14/01/25/582140125.db2.gz IDYZTLCYKJCGDX-WLRWDXFRSA-N 1 2 290.385 -1.076 20 0 CAADLO C[S@](=O)CC[NH+]1CCN(C(=O)[C@H]2COCCO2)CC1 ZINC000741141752 582140196 /nfs/dbraw/zinc/14/01/96/582140196.db2.gz IDYZTLCYKJCGDX-WYRIXSBYSA-N 1 2 290.385 -1.076 20 0 CAADLO Cc1nonc1CN1CC[NH+](CCS(N)(=O)=O)CC1 ZINC000740876484 582140220 /nfs/dbraw/zinc/14/02/20/582140220.db2.gz WCTDEYHXPANUNG-UHFFFAOYSA-N 1 2 289.361 -1.216 20 0 CAADLO CCOC(=O)[C@H]1C[N@H+](CCCS(N)(=O)=O)CCO1 ZINC000741249058 582140248 /nfs/dbraw/zinc/14/02/48/582140248.db2.gz QLZZKGPPJMNZFG-SECBINFHSA-N 1 2 280.346 -1.071 20 0 CAADLO CCOC(=O)[C@H]1C[N@@H+](CCCS(N)(=O)=O)CCO1 ZINC000741249058 582140250 /nfs/dbraw/zinc/14/02/50/582140250.db2.gz QLZZKGPPJMNZFG-SECBINFHSA-N 1 2 280.346 -1.071 20 0 CAADLO CCOC(=O)[C@H]1C[N@H+](CCN2C(=O)CNC2=O)CCO1 ZINC000741247400 582140343 /nfs/dbraw/zinc/14/03/43/582140343.db2.gz OQRZJODBYODISV-SECBINFHSA-N 1 2 285.300 -1.198 20 0 CAADLO CCOC(=O)[C@H]1C[N@@H+](CCN2C(=O)CNC2=O)CCO1 ZINC000741247400 582140344 /nfs/dbraw/zinc/14/03/44/582140344.db2.gz OQRZJODBYODISV-SECBINFHSA-N 1 2 285.300 -1.198 20 0 CAADLO COC(=O)NCC(=O)N1CC[NH+](CC[S@](C)=O)CC1 ZINC000741289267 582140360 /nfs/dbraw/zinc/14/03/60/582140360.db2.gz ATFJFZWMCSXYEW-IBGZPJMESA-N 1 2 291.373 -1.135 20 0 CAADLO C[S@](=O)CC[NH+]1CCN(C(=O)Cn2cnnn2)CC1 ZINC000742184195 582140626 /nfs/dbraw/zinc/14/06/26/582140626.db2.gz UCUMULALXIHPCG-IBGZPJMESA-N 1 2 286.361 -1.804 20 0 CAADLO C[N@@H+]1CCCC[C@@H]1C(=O)OCC(=O)N1CCNC(=O)C1 ZINC000745079204 582141195 /nfs/dbraw/zinc/14/11/95/582141195.db2.gz JEEPNSAAXSMXBO-SNVBAGLBSA-N 1 2 283.328 -1.028 20 0 CAADLO C[N@H+]1CCCC[C@@H]1C(=O)OCC(=O)N1CCNC(=O)C1 ZINC000745079204 582141196 /nfs/dbraw/zinc/14/11/96/582141196.db2.gz JEEPNSAAXSMXBO-SNVBAGLBSA-N 1 2 283.328 -1.028 20 0 CAADLO N=C1NC(=O)[C@@H](CC(=O)NCC[NH+]2CCOCC2)S1 ZINC000745415737 582141329 /nfs/dbraw/zinc/14/13/29/582141329.db2.gz WANSWCJYBGHUSU-MRVPVSSYSA-N 1 2 286.357 -1.009 20 0 CAADLO C[C@H]1C[N@H+](CCNC(=O)NC(CO)CO)CCO1 ZINC000745791907 582141547 /nfs/dbraw/zinc/14/15/47/582141547.db2.gz NJBKDKAXGWLBKL-VIFPVBQESA-N 1 2 261.322 -1.641 20 0 CAADLO C[C@H]1C[N@@H+](CCNC(=O)NC(CO)CO)CCO1 ZINC000745791907 582141548 /nfs/dbraw/zinc/14/15/48/582141548.db2.gz NJBKDKAXGWLBKL-VIFPVBQESA-N 1 2 261.322 -1.641 20 0 CAADLO Cc1nonc1C(=O)NCC(=O)NCC[NH+]1CCOCC1 ZINC000746248661 582141685 /nfs/dbraw/zinc/14/16/85/582141685.db2.gz KPJDBYSSDWJZHR-UHFFFAOYSA-N 1 2 297.315 -1.444 20 0 CAADLO C[N@@H+]1CCO[C@@H](C(=O)N2CCO[C@H](c3nn[nH]n3)C2)C1 ZINC000746236645 582141691 /nfs/dbraw/zinc/14/16/91/582141691.db2.gz KYEOBYJGKWHPBK-DTWKUNHWSA-N 1 2 282.304 -1.570 20 0 CAADLO C[N@H+]1CCO[C@@H](C(=O)N2CCO[C@H](c3nn[nH]n3)C2)C1 ZINC000746236645 582141692 /nfs/dbraw/zinc/14/16/92/582141692.db2.gz KYEOBYJGKWHPBK-DTWKUNHWSA-N 1 2 282.304 -1.570 20 0 CAADLO O=C1C[N@H+](CCN2CCCS2(=O)=O)CCCN1 ZINC000746488023 582141775 /nfs/dbraw/zinc/14/17/75/582141775.db2.gz WFKLHZHGXAJUED-UHFFFAOYSA-N 1 2 261.347 -1.156 20 0 CAADLO O=C1C[N@@H+](CCN2CCCS2(=O)=O)CCCN1 ZINC000746488023 582141776 /nfs/dbraw/zinc/14/17/76/582141776.db2.gz WFKLHZHGXAJUED-UHFFFAOYSA-N 1 2 261.347 -1.156 20 0 CAADLO CN(C)C(=O)CNC(=S)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000746545067 582141784 /nfs/dbraw/zinc/14/17/84/582141784.db2.gz PRHYBJXLXVXVHC-SNVBAGLBSA-N 1 2 285.417 -1.462 20 0 CAADLO NC(=O)CNC(=S)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000746545098 582141814 /nfs/dbraw/zinc/14/18/14/582141814.db2.gz QWQYGQVEVAJZKF-MRVPVSSYSA-N 1 2 257.363 -2.064 20 0 CAADLO CC(C)NC(=O)CNC(=S)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000746545052 582141818 /nfs/dbraw/zinc/14/18/18/582141818.db2.gz PJTOFDKKLDNHRO-LLVKDONJSA-N 1 2 299.444 -1.025 20 0 CAADLO CN1CC(=O)N(CC(=O)OCC[NH+]2CCOCC2)C1=O ZINC000747384670 582141894 /nfs/dbraw/zinc/14/18/94/582141894.db2.gz NYMQLEKDPWJSGZ-UHFFFAOYSA-N 1 2 285.300 -1.244 20 0 CAADLO COCC[NH+](CCOC)CN1C(=O)C(=O)N(C)C1=O ZINC000747451156 582141899 /nfs/dbraw/zinc/14/18/99/582141899.db2.gz NHIRSOUDSPLONA-UHFFFAOYSA-N 1 2 273.289 -1.041 20 0 CAADLO O=C(OCC[NH+]1CCOCC1)C1CC(=O)NC(=O)C1 ZINC000747697769 582142041 /nfs/dbraw/zinc/14/20/41/582142041.db2.gz GWGWXDGSQNKFDI-UHFFFAOYSA-N 1 2 270.285 -1.085 20 0 CAADLO Cn1cc(C(=O)NCc2c[nH+]c[nH]2)c(=O)n(C)c1=O ZINC000748321538 582142329 /nfs/dbraw/zinc/14/23/29/582142329.db2.gz FKBDJOPBVXGEKB-UHFFFAOYSA-N 1 2 263.257 -1.263 20 0 CAADLO CC[N@@H+]1CCO[C@H](C(=O)O[C@@H](C)C(=O)NC(N)=O)C1 ZINC000748458722 582142451 /nfs/dbraw/zinc/14/24/51/582142451.db2.gz OAFOLPOBKCCCMD-YUMQZZPRSA-N 1 2 273.289 -1.166 20 0 CAADLO CC[N@H+]1CCO[C@H](C(=O)O[C@@H](C)C(=O)NC(N)=O)C1 ZINC000748458722 582142453 /nfs/dbraw/zinc/14/24/53/582142453.db2.gz OAFOLPOBKCCCMD-YUMQZZPRSA-N 1 2 273.289 -1.166 20 0 CAADLO CC[N@@H+]1CCO[C@H](C(=O)OCC(=O)NC(N)=O)C1 ZINC000748454066 582142522 /nfs/dbraw/zinc/14/25/22/582142522.db2.gz BOWJAOFAJFZBSN-ZETCQYMHSA-N 1 2 259.262 -1.555 20 0 CAADLO CC[N@H+]1CCO[C@H](C(=O)OCC(=O)NC(N)=O)C1 ZINC000748454066 582142523 /nfs/dbraw/zinc/14/25/23/582142523.db2.gz BOWJAOFAJFZBSN-ZETCQYMHSA-N 1 2 259.262 -1.555 20 0 CAADLO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1CCS(N)(=O)=O ZINC000749853378 582142794 /nfs/dbraw/zinc/14/27/94/582142794.db2.gz YLVBXJUVOBLWAN-QMMMGPOBSA-N 1 2 285.391 -1.712 20 0 CAADLO CNS(=O)(=O)C[C@@H]1CCC[N@H+]1CCS(N)(=O)=O ZINC000749853378 582142795 /nfs/dbraw/zinc/14/27/95/582142795.db2.gz YLVBXJUVOBLWAN-QMMMGPOBSA-N 1 2 285.391 -1.712 20 0 CAADLO Cc1ccc(NC(=O)C(=O)NC(CO)CO)c(N(C)C)[nH+]1 ZINC000750256511 582142971 /nfs/dbraw/zinc/14/29/71/582142971.db2.gz WSRGPIDTIKAPDR-UHFFFAOYSA-N 1 2 296.327 -1.136 20 0 CAADLO CCOC(=O)C1=C(C[N@H+]2C[C@@H](O)[C@@H](O)C2)NC(=O)N[C@@H]1C ZINC000750838237 582143156 /nfs/dbraw/zinc/14/31/56/582143156.db2.gz PSAYLAFOCCEYAL-QNSHHTMESA-N 1 2 299.327 -1.458 20 0 CAADLO CCOC(=O)C1=C(C[N@@H+]2C[C@@H](O)[C@@H](O)C2)NC(=O)N[C@@H]1C ZINC000750838237 582143157 /nfs/dbraw/zinc/14/31/57/582143157.db2.gz PSAYLAFOCCEYAL-QNSHHTMESA-N 1 2 299.327 -1.458 20 0 CAADLO COC[C@@](C)(O)C(=O)N1CCC[N@H+](CC(N)=O)CC1 ZINC000754998789 582144728 /nfs/dbraw/zinc/14/47/28/582144728.db2.gz UEDQOZMKMLAKRT-GFCCVEGCSA-N 1 2 273.333 -1.597 20 0 CAADLO COC[C@@](C)(O)C(=O)N1CCC[N@@H+](CC(N)=O)CC1 ZINC000754998789 582144730 /nfs/dbraw/zinc/14/47/30/582144730.db2.gz UEDQOZMKMLAKRT-GFCCVEGCSA-N 1 2 273.333 -1.597 20 0 CAADLO CCC1(C(=O)NCC(=O)NCC[NH+]2CCOCC2)COC1 ZINC000755361266 582144797 /nfs/dbraw/zinc/14/47/97/582144797.db2.gz LUYNJMBKEBRHDD-UHFFFAOYSA-N 1 2 299.371 -1.022 20 0 CAADLO O=C(/C=C\C[NH+]1CCOCC1)N1CCN(C(=O)CO)CC1 ZINC000867018868 582145482 /nfs/dbraw/zinc/14/54/82/582145482.db2.gz AIZGQRSYPREQRN-UPHRSURJSA-N 1 2 297.355 -1.462 20 0 CAADLO OC[C@]1(NC(=S)NCC[NH+]2CCOCC2)CCOC1 ZINC000757947005 582145672 /nfs/dbraw/zinc/14/56/72/582145672.db2.gz SUFAZZAGFSIMMY-GFCCVEGCSA-N 1 2 289.401 -1.066 20 0 CAADLO CCS(=O)(=O)CC[N@H+](C)CCN1C(=O)CNC1=O ZINC000759367873 582146815 /nfs/dbraw/zinc/14/68/15/582146815.db2.gz TVBPCKRAHJGRCS-UHFFFAOYSA-N 1 2 277.346 -1.095 20 0 CAADLO CCS(=O)(=O)CC[N@@H+](C)CCN1C(=O)CNC1=O ZINC000759367873 582146817 /nfs/dbraw/zinc/14/68/17/582146817.db2.gz TVBPCKRAHJGRCS-UHFFFAOYSA-N 1 2 277.346 -1.095 20 0 CAADLO Cn1c(N)c(C(=O)C[N@@H+]2CC[C@@H]3C[C@@H]32)c(=O)n(C)c1=O ZINC000761085474 582147719 /nfs/dbraw/zinc/14/77/19/582147719.db2.gz BYLADKUZPHTAKB-SFYZADRCSA-N 1 2 278.312 -1.057 20 0 CAADLO Cn1c(N)c(C(=O)C[N@H+]2CC[C@@H]3C[C@@H]32)c(=O)n(C)c1=O ZINC000761085474 582147720 /nfs/dbraw/zinc/14/77/20/582147720.db2.gz BYLADKUZPHTAKB-SFYZADRCSA-N 1 2 278.312 -1.057 20 0 CAADLO CS(=O)(=O)CCNC(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000763909034 582148923 /nfs/dbraw/zinc/14/89/23/582148923.db2.gz IAQDXIXWFZDLBM-SNVBAGLBSA-N 1 2 275.374 -1.463 20 0 CAADLO CS(=O)(=O)CCNC(=O)[C@H]1C[N@H+]2CCN1CCC2 ZINC000763909034 582148925 /nfs/dbraw/zinc/14/89/25/582148925.db2.gz IAQDXIXWFZDLBM-SNVBAGLBSA-N 1 2 275.374 -1.463 20 0 CAADLO CS(=O)(=O)CCNC(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000763909031 582148942 /nfs/dbraw/zinc/14/89/42/582148942.db2.gz IAQDXIXWFZDLBM-JTQLQIEISA-N 1 2 275.374 -1.463 20 0 CAADLO CS(=O)(=O)CCNC(=O)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000763909031 582148944 /nfs/dbraw/zinc/14/89/44/582148944.db2.gz IAQDXIXWFZDLBM-JTQLQIEISA-N 1 2 275.374 -1.463 20 0 CAADLO CN(CCS(C)(=O)=O)C(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000764126570 582148961 /nfs/dbraw/zinc/14/89/61/582148961.db2.gz PEAYOHMJZNSQSG-NSHDSACASA-N 1 2 289.401 -1.121 20 0 CAADLO CN(CCS(C)(=O)=O)C(=O)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000764126570 582148962 /nfs/dbraw/zinc/14/89/62/582148962.db2.gz PEAYOHMJZNSQSG-NSHDSACASA-N 1 2 289.401 -1.121 20 0 CAADLO COCCS(=O)(=O)CC(=O)N1CC([NH+](C)C)C1 ZINC000765391542 582149874 /nfs/dbraw/zinc/14/98/74/582149874.db2.gz RUWZMSKDZYHBER-UHFFFAOYSA-N 1 2 264.347 -1.180 20 0 CAADLO C[C@H](C[NH+]1CCOCC1)OC(=O)Cn1ncn(C)c1=O ZINC000765612101 582150213 /nfs/dbraw/zinc/15/02/13/582150213.db2.gz FCFZWANKXJUXAF-SNVBAGLBSA-N 1 2 284.316 -1.154 20 0 CAADLO C[C@@H](C[NH+]1CCOCC1)OC(=O)Cn1ncn(C)c1=O ZINC000765612093 582150244 /nfs/dbraw/zinc/15/02/44/582150244.db2.gz FCFZWANKXJUXAF-JTQLQIEISA-N 1 2 284.316 -1.154 20 0 CAADLO CC(=O)CC[NH+]1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000765858024 582150367 /nfs/dbraw/zinc/15/03/67/582150367.db2.gz DVWJEBPAGLDTNM-UHFFFAOYSA-N 1 2 297.355 -1.032 20 0 CAADLO O=C(CO)N1CC[NH+]([C@H]2CCC(=O)NC2=O)CC1 ZINC000765960540 582150390 /nfs/dbraw/zinc/15/03/90/582150390.db2.gz AOGZFMFNOKRAOW-QMMMGPOBSA-N 1 2 255.274 -2.072 20 0 CAADLO COC(=O)/C(C)=C/C[N@@H+]1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC000766095811 582150513 /nfs/dbraw/zinc/15/05/13/582150513.db2.gz SDQHDOKXPBGLGT-OTVCUZDGSA-N 1 2 281.312 -1.252 20 0 CAADLO COC(=O)/C(C)=C/C[N@H+]1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC000766095811 582150514 /nfs/dbraw/zinc/15/05/14/582150514.db2.gz SDQHDOKXPBGLGT-OTVCUZDGSA-N 1 2 281.312 -1.252 20 0 CAADLO O=C1OCCN1CC[N@@H+]1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC000766094595 582150530 /nfs/dbraw/zinc/15/05/30/582150530.db2.gz MIJBBDLMJUVHOY-SECBINFHSA-N 1 2 282.300 -1.919 20 0 CAADLO O=C1OCCN1CC[N@H+]1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC000766094595 582150531 /nfs/dbraw/zinc/15/05/31/582150531.db2.gz MIJBBDLMJUVHOY-SECBINFHSA-N 1 2 282.300 -1.919 20 0 CAADLO COC(=O)/C(C)=C/C[N@@H+]1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC000766095814 582150536 /nfs/dbraw/zinc/15/05/36/582150536.db2.gz SDQHDOKXPBGLGT-RZCNENHTSA-N 1 2 281.312 -1.252 20 0 CAADLO COC(=O)/C(C)=C/C[N@H+]1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC000766095814 582150537 /nfs/dbraw/zinc/15/05/37/582150537.db2.gz SDQHDOKXPBGLGT-RZCNENHTSA-N 1 2 281.312 -1.252 20 0 CAADLO O=C1OCC[C@@H]1NS(=O)(=O)CCC[NH+]1CCOCC1 ZINC000766014104 582150546 /nfs/dbraw/zinc/15/05/46/582150546.db2.gz CGIQFJFQRYUUBQ-JTQLQIEISA-N 1 2 292.357 -1.056 20 0 CAADLO O=C1OCCN1CC[N@@H+]1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC000766094601 582150562 /nfs/dbraw/zinc/15/05/62/582150562.db2.gz MIJBBDLMJUVHOY-VIFPVBQESA-N 1 2 282.300 -1.919 20 0 CAADLO O=C1OCCN1CC[N@H+]1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC000766094601 582150563 /nfs/dbraw/zinc/15/05/63/582150563.db2.gz MIJBBDLMJUVHOY-VIFPVBQESA-N 1 2 282.300 -1.919 20 0 CAADLO C[C@@H](O)C(=O)N1CC[NH+](CCN2CCOC2=O)CC1 ZINC000766269186 582150882 /nfs/dbraw/zinc/15/08/82/582150882.db2.gz WKJBVSXKQDTHAK-SNVBAGLBSA-N 1 2 271.317 -1.036 20 0 CAADLO O=C(CC[N@@H+]1CCN2C(=O)C(=O)NC[C@@H]2C1)C1CC1 ZINC000767417843 582151417 /nfs/dbraw/zinc/15/14/17/582151417.db2.gz PEFJTCNRUPOJCI-SNVBAGLBSA-N 1 2 265.313 -1.002 20 0 CAADLO O=C(CC[N@H+]1CCN2C(=O)C(=O)NC[C@@H]2C1)C1CC1 ZINC000767417843 582151419 /nfs/dbraw/zinc/15/14/19/582151419.db2.gz PEFJTCNRUPOJCI-SNVBAGLBSA-N 1 2 265.313 -1.002 20 0 CAADLO Cn1nnnc1N1CC[NH+](CC[S@@](C)=O)CC1 ZINC000771145006 582152755 /nfs/dbraw/zinc/15/27/55/582152755.db2.gz KDHSLMATCINSKO-QGZVFWFLSA-N 1 2 258.351 -1.289 20 0 CAADLO Cn1c(=O)ccn(CC(=O)OCCn2cc[nH+]c2)c1=O ZINC000771917687 582152977 /nfs/dbraw/zinc/15/29/77/582152977.db2.gz SUJDTBMXWJYWAK-UHFFFAOYSA-N 1 2 278.268 -1.013 20 0 CAADLO NC(=O)C[NH+]1CCC(NS(=O)(=O)NC2CC2)CC1 ZINC000772370330 582153135 /nfs/dbraw/zinc/15/31/35/582153135.db2.gz IHQPMEOHZCIWHQ-UHFFFAOYSA-N 1 2 276.362 -1.478 20 0 CAADLO CC[N@@H+]1CCO[C@@H](C(=O)OCC(=O)NCC(=O)OC)C1 ZINC000805475445 582154004 /nfs/dbraw/zinc/15/40/04/582154004.db2.gz QOGABROSEVEYCU-SECBINFHSA-N 1 2 288.300 -1.461 20 0 CAADLO CC[N@H+]1CCO[C@@H](C(=O)OCC(=O)NCC(=O)OC)C1 ZINC000805475445 582154005 /nfs/dbraw/zinc/15/40/05/582154005.db2.gz QOGABROSEVEYCU-SECBINFHSA-N 1 2 288.300 -1.461 20 0 CAADLO O=C(N[C@H](CO)C[NH+]1CCOCC1)C1=COCCO1 ZINC000773370665 582154080 /nfs/dbraw/zinc/15/40/80/582154080.db2.gz MSHOEAFIKZRBQZ-JTQLQIEISA-N 1 2 272.301 -1.316 20 0 CAADLO CN1N=C(C(=O)N[C@H](CO)C[NH+]2CCOCC2)CCC1=O ZINC000773382154 582154086 /nfs/dbraw/zinc/15/40/86/582154086.db2.gz FMPNQUPDKNZYBQ-JTQLQIEISA-N 1 2 298.343 -1.596 20 0 CAADLO O=C(N[C@@H](CO)C[NH+]1CCOCC1)C1=COCCO1 ZINC000773370671 582154096 /nfs/dbraw/zinc/15/40/96/582154096.db2.gz MSHOEAFIKZRBQZ-SNVBAGLBSA-N 1 2 272.301 -1.316 20 0 CAADLO C[N@@H+]1CCCN(S(=O)(=O)CCS(C)(=O)=O)CC1 ZINC000773279106 582154134 /nfs/dbraw/zinc/15/41/34/582154134.db2.gz RWWVSOJTZHORAW-UHFFFAOYSA-N 1 2 284.403 -1.002 20 0 CAADLO C[N@H+]1CCCN(S(=O)(=O)CCS(C)(=O)=O)CC1 ZINC000773279106 582154136 /nfs/dbraw/zinc/15/41/36/582154136.db2.gz RWWVSOJTZHORAW-UHFFFAOYSA-N 1 2 284.403 -1.002 20 0 CAADLO CC[N@@H+]1CCO[C@@H](C(=O)OCc2nnn(C)n2)C1 ZINC000805478466 582154140 /nfs/dbraw/zinc/15/41/40/582154140.db2.gz FNYPHALBIJAZOU-MRVPVSSYSA-N 1 2 255.278 -1.026 20 0 CAADLO CC[N@H+]1CCO[C@@H](C(=O)OCc2nnn(C)n2)C1 ZINC000805478466 582154141 /nfs/dbraw/zinc/15/41/41/582154141.db2.gz FNYPHALBIJAZOU-MRVPVSSYSA-N 1 2 255.278 -1.026 20 0 CAADLO Cn1cc([C@@H](O)C(=O)NCC[NH+]2CCOCC2)cn1 ZINC000773699090 582154253 /nfs/dbraw/zinc/15/42/53/582154253.db2.gz DNXUAOREHAGQMU-LLVKDONJSA-N 1 2 268.317 -1.098 20 0 CAADLO CON(C)C(=O)CN(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000774659071 582154798 /nfs/dbraw/zinc/15/47/98/582154798.db2.gz GHERCTWPUNCUJH-LLVKDONJSA-N 1 2 275.349 -1.369 20 0 CAADLO CON(C)C(=O)CN1CC[NH+](CC(=O)N(C)C)CC1 ZINC000774546839 582154877 /nfs/dbraw/zinc/15/48/77/582154877.db2.gz QPEYMDYOIXVNOY-UHFFFAOYSA-N 1 2 272.349 -1.288 20 0 CAADLO CNS(=O)(=O)[C@H]1CC[N@H+](CC(=O)N(C)OC)C1 ZINC000774710205 582155036 /nfs/dbraw/zinc/15/50/36/582155036.db2.gz VYOVVXJOEJCCNH-QMMMGPOBSA-N 1 2 265.335 -1.370 20 0 CAADLO CNS(=O)(=O)[C@H]1CC[N@@H+](CC(=O)N(C)OC)C1 ZINC000774710205 582155038 /nfs/dbraw/zinc/15/50/38/582155038.db2.gz VYOVVXJOEJCCNH-QMMMGPOBSA-N 1 2 265.335 -1.370 20 0 CAADLO CNS(=O)(=O)[C@@H]1CC[N@H+](CC(=O)N(C)OC)C1 ZINC000774710202 582155082 /nfs/dbraw/zinc/15/50/82/582155082.db2.gz VYOVVXJOEJCCNH-MRVPVSSYSA-N 1 2 265.335 -1.370 20 0 CAADLO CNS(=O)(=O)[C@@H]1CC[N@@H+](CC(=O)N(C)OC)C1 ZINC000774710202 582155083 /nfs/dbraw/zinc/15/50/83/582155083.db2.gz VYOVVXJOEJCCNH-MRVPVSSYSA-N 1 2 265.335 -1.370 20 0 CAADLO CCN1CCOC[C@@H]1C(=O)N1CCC[N@H+](CC(N)=O)CC1 ZINC000775602715 582155353 /nfs/dbraw/zinc/15/53/53/582155353.db2.gz RTOXNUPDJZHKOU-GFCCVEGCSA-N 1 2 298.387 -1.273 20 0 CAADLO CCN1CCOC[C@@H]1C(=O)N1CCC[N@@H+](CC(N)=O)CC1 ZINC000775602715 582155354 /nfs/dbraw/zinc/15/53/54/582155354.db2.gz RTOXNUPDJZHKOU-GFCCVEGCSA-N 1 2 298.387 -1.273 20 0 CAADLO C[C@H]1C[N@H+](CCNC(=O)N2C[C@H](O)C[C@H]2CO)CCO1 ZINC000776129652 582155499 /nfs/dbraw/zinc/15/54/99/582155499.db2.gz RGCULHKHMYNKPO-SDDRHHMPSA-N 1 2 287.360 -1.156 20 0 CAADLO C[C@H]1C[N@@H+](CCNC(=O)N2C[C@H](O)C[C@H]2CO)CCO1 ZINC000776129652 582155500 /nfs/dbraw/zinc/15/55/00/582155500.db2.gz RGCULHKHMYNKPO-SDDRHHMPSA-N 1 2 287.360 -1.156 20 0 CAADLO CNS(=O)(=O)[C@H]1CC[N@H+](CN2CC(=O)N(C)C2=O)C1 ZINC000776201980 582155637 /nfs/dbraw/zinc/15/56/37/582155637.db2.gz MSZZIOFRCYZDMT-QMMMGPOBSA-N 1 2 290.345 -1.539 20 0 CAADLO CNS(=O)(=O)[C@H]1CC[N@@H+](CN2CC(=O)N(C)C2=O)C1 ZINC000776201980 582155638 /nfs/dbraw/zinc/15/56/38/582155638.db2.gz MSZZIOFRCYZDMT-QMMMGPOBSA-N 1 2 290.345 -1.539 20 0 CAADLO CC(C)NS(=O)(=O)NC1CC[NH+](CC(N)=O)CC1 ZINC000778607888 582156657 /nfs/dbraw/zinc/15/66/57/582156657.db2.gz CWVUGWGHLWMROF-UHFFFAOYSA-N 1 2 278.378 -1.232 20 0 CAADLO O=C1NC(=O)N2CC[N@H+](CCN3CCOC3=O)C[C@H]12 ZINC000778952795 582157043 /nfs/dbraw/zinc/15/70/43/582157043.db2.gz HGALKOLAXJIFKO-MRVPVSSYSA-N 1 2 268.273 -1.325 20 0 CAADLO O=C1NC(=O)N2CC[N@@H+](CCN3CCOC3=O)C[C@H]12 ZINC000778952795 582157044 /nfs/dbraw/zinc/15/70/44/582157044.db2.gz HGALKOLAXJIFKO-MRVPVSSYSA-N 1 2 268.273 -1.325 20 0 CAADLO COC(=O)[C@@H](Cn1ccnc1)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000779567069 582157426 /nfs/dbraw/zinc/15/74/26/582157426.db2.gz UJNQSOBFYRPHAK-GHMZBOCLSA-N 1 2 296.327 -1.129 20 0 CAADLO COC(=O)[C@@H](Cn1ccnc1)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000779567069 582157428 /nfs/dbraw/zinc/15/74/28/582157428.db2.gz UJNQSOBFYRPHAK-GHMZBOCLSA-N 1 2 296.327 -1.129 20 0 CAADLO CC[C@H](CO)C(=O)NCC(=O)NCC[NH+]1CCOCC1 ZINC000779779329 582157735 /nfs/dbraw/zinc/15/77/35/582157735.db2.gz VXDQJQVQNOJESA-LLVKDONJSA-N 1 2 287.360 -1.431 20 0 CAADLO CC(=O)N1CCN(C(=O)[C@@H](C)O[NH+]=C(N)CCO)CC1 ZINC000780127446 582157745 /nfs/dbraw/zinc/15/77/45/582157745.db2.gz BJXMAPMINGYINY-SECBINFHSA-N 1 2 286.332 -1.054 20 0 CAADLO Cn1cnn(CC(=O)OCC[NH+]2CCOCC2)c1=O ZINC000781266060 582158280 /nfs/dbraw/zinc/15/82/80/582158280.db2.gz KZFYRMNCLYHLFN-UHFFFAOYSA-N 1 2 270.289 -1.543 20 0 CAADLO CNC(=O)NC(=O)[C@H](C)[N@@H+]1CCCN(C=O)CC1 ZINC000781559686 582158284 /nfs/dbraw/zinc/15/82/84/582158284.db2.gz PNXHPGBQRKTLGY-VIFPVBQESA-N 1 2 256.306 -1.005 20 0 CAADLO CNC(=O)NC(=O)[C@H](C)[N@H+]1CCCN(C=O)CC1 ZINC000781559686 582158285 /nfs/dbraw/zinc/15/82/85/582158285.db2.gz PNXHPGBQRKTLGY-VIFPVBQESA-N 1 2 256.306 -1.005 20 0 CAADLO CNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCCN(C=O)CC1 ZINC000781559685 582158400 /nfs/dbraw/zinc/15/84/00/582158400.db2.gz PNXHPGBQRKTLGY-SECBINFHSA-N 1 2 256.306 -1.005 20 0 CAADLO CNC(=O)NC(=O)[C@@H](C)[N@H+]1CCCN(C=O)CC1 ZINC000781559685 582158401 /nfs/dbraw/zinc/15/84/01/582158401.db2.gz PNXHPGBQRKTLGY-SECBINFHSA-N 1 2 256.306 -1.005 20 0 CAADLO CNC(=O)NC(=O)C[N@H+](CCCO)CC(OC)OC ZINC000782175954 582158579 /nfs/dbraw/zinc/15/85/79/582158579.db2.gz KCCDCBSGNNQGRC-UHFFFAOYSA-N 1 2 277.321 -1.255 20 0 CAADLO CNC(=O)NC(=O)C[N@@H+](CCCO)CC(OC)OC ZINC000782175954 582158580 /nfs/dbraw/zinc/15/85/80/582158580.db2.gz KCCDCBSGNNQGRC-UHFFFAOYSA-N 1 2 277.321 -1.255 20 0 CAADLO C[C@@H](C[NH+]1CCOCC1)OC(=O)CN1CC(=O)NC1=O ZINC000782276227 582158689 /nfs/dbraw/zinc/15/86/89/582158689.db2.gz TUECQDKRIFTLGI-VIFPVBQESA-N 1 2 285.300 -1.198 20 0 CAADLO C[C@@H](C[NH+]1CCOCC1)OC(=O)[C@@H]1CNC(=O)N1 ZINC000782276391 582158717 /nfs/dbraw/zinc/15/87/17/582158717.db2.gz VHDUJPUBLFGCOD-IUCAKERBSA-N 1 2 257.290 -1.068 20 0 CAADLO C[C@H](C[NH+]1CCOCC1)OC(=O)[C@H]1CNC(=O)N1 ZINC000782276392 582158722 /nfs/dbraw/zinc/15/87/22/582158722.db2.gz VHDUJPUBLFGCOD-RKDXNWHRSA-N 1 2 257.290 -1.068 20 0 CAADLO COC(=O)[C@H]1CC(=O)N(C[N@H+](C)[C@H]2CCNC2=O)C1 ZINC000782269616 582158773 /nfs/dbraw/zinc/15/87/73/582158773.db2.gz BCESMAAUWFSNGV-IUCAKERBSA-N 1 2 269.301 -1.214 20 0 CAADLO COC(=O)[C@H]1CC(=O)N(C[N@@H+](C)[C@H]2CCNC2=O)C1 ZINC000782269616 582158775 /nfs/dbraw/zinc/15/87/75/582158775.db2.gz BCESMAAUWFSNGV-IUCAKERBSA-N 1 2 269.301 -1.214 20 0 CAADLO Cn1nnc(CNC(=S)NCC[NH+]2CCOCC2)n1 ZINC000782445467 582158864 /nfs/dbraw/zinc/15/88/64/582158864.db2.gz CFZULOQKSHHWBV-UHFFFAOYSA-N 1 2 285.377 -1.494 20 0 CAADLO Cc1ccc(NC(=O)C(=O)NC[C@@H](O)CO)c(N(C)C)[nH+]1 ZINC000783097706 582159376 /nfs/dbraw/zinc/15/93/76/582159376.db2.gz BYIYUVDEDICBNU-SECBINFHSA-N 1 2 296.327 -1.136 20 0 CAADLO NC(=O)COC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000785656965 582160205 /nfs/dbraw/zinc/16/02/05/582160205.db2.gz LVTBPNOGDOFDTR-JTQLQIEISA-N 1 2 299.327 -1.804 20 0 CAADLO COC(=O)c1cn(CC(=O)OCC[NH+]2CCOCC2)nn1 ZINC000786557600 582160795 /nfs/dbraw/zinc/16/07/95/582160795.db2.gz XDXSCPMTMJPAHV-UHFFFAOYSA-N 1 2 298.299 -1.060 20 0 CAADLO Cn1nnc(CO[NH+]=C(N)CN2CCOCC2)n1 ZINC000786893726 582160985 /nfs/dbraw/zinc/16/09/85/582160985.db2.gz NYGLLOGIHLECPT-UHFFFAOYSA-N 1 2 255.282 -1.459 20 0 CAADLO CNS(=O)(=O)[C@H]1CC[N@H+](CN2C[C@H](OC)CC2=O)C1 ZINC000787227788 582161064 /nfs/dbraw/zinc/16/10/64/582161064.db2.gz YJDVPADVDFDRQG-ZJUUUORDSA-N 1 2 291.373 -1.185 20 0 CAADLO CNS(=O)(=O)[C@H]1CC[N@@H+](CN2C[C@H](OC)CC2=O)C1 ZINC000787227788 582161067 /nfs/dbraw/zinc/16/10/67/582161067.db2.gz YJDVPADVDFDRQG-ZJUUUORDSA-N 1 2 291.373 -1.185 20 0 CAADLO CO[C@@H]1CC(=O)N(C[N@@H+]2CC[C@H](NS(C)(=O)=O)C2)C1 ZINC000787219295 582161108 /nfs/dbraw/zinc/16/11/08/582161108.db2.gz JILKICASGJFDBS-VHSXEESVSA-N 1 2 291.373 -1.185 20 0 CAADLO CO[C@@H]1CC(=O)N(C[N@H+]2CC[C@H](NS(C)(=O)=O)C2)C1 ZINC000787219295 582161109 /nfs/dbraw/zinc/16/11/09/582161109.db2.gz JILKICASGJFDBS-VHSXEESVSA-N 1 2 291.373 -1.185 20 0 CAADLO CO[C@@H]1CC(=O)N(C[N@@H+]2CC[C@@H](NS(C)(=O)=O)C2)C1 ZINC000787219293 582161117 /nfs/dbraw/zinc/16/11/17/582161117.db2.gz JILKICASGJFDBS-NXEZZACHSA-N 1 2 291.373 -1.185 20 0 CAADLO CO[C@@H]1CC(=O)N(C[N@H+]2CC[C@@H](NS(C)(=O)=O)C2)C1 ZINC000787219293 582161118 /nfs/dbraw/zinc/16/11/18/582161118.db2.gz JILKICASGJFDBS-NXEZZACHSA-N 1 2 291.373 -1.185 20 0 CAADLO CNS(=O)(=O)[C@@H]1CC[N@H+](CN2C[C@H](OC)CC2=O)C1 ZINC000787227766 582161138 /nfs/dbraw/zinc/16/11/38/582161138.db2.gz YJDVPADVDFDRQG-NXEZZACHSA-N 1 2 291.373 -1.185 20 0 CAADLO CNS(=O)(=O)[C@@H]1CC[N@@H+](CN2C[C@H](OC)CC2=O)C1 ZINC000787227766 582161139 /nfs/dbraw/zinc/16/11/39/582161139.db2.gz YJDVPADVDFDRQG-NXEZZACHSA-N 1 2 291.373 -1.185 20 0 CAADLO CC(=O)OCCCS(=O)(=O)N1CC[NH+](CCO)CC1 ZINC000787918174 582161550 /nfs/dbraw/zinc/16/15/50/582161550.db2.gz FVMNRDHVWSEKDR-UHFFFAOYSA-N 1 2 294.373 -1.121 20 0 CAADLO CON(C)C(=O)C[N@@H+]1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000789379223 582162254 /nfs/dbraw/zinc/16/22/54/582162254.db2.gz LUZVUXHTJDOWJX-NSHDSACASA-N 1 2 270.289 -1.320 20 0 CAADLO CON(C)C(=O)C[N@H+]1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000789379223 582162255 /nfs/dbraw/zinc/16/22/55/582162255.db2.gz LUZVUXHTJDOWJX-NSHDSACASA-N 1 2 270.289 -1.320 20 0 CAADLO COCCONC(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000789341591 582162265 /nfs/dbraw/zinc/16/22/65/582162265.db2.gz GTQIHWLASPQJRJ-NSHDSACASA-N 1 2 291.348 -1.101 20 0 CAADLO Cc1nn[nH]c1C(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000789994444 582162414 /nfs/dbraw/zinc/16/24/14/582162414.db2.gz WBHWFYMADWSZRU-SECBINFHSA-N 1 2 250.306 -1.157 20 0 CAADLO NC(=O)C[N@@H+]1CCCN(C(=O)CN2CCOCC2=O)CC1 ZINC000790537312 582162695 /nfs/dbraw/zinc/16/26/95/582162695.db2.gz BPJLEXJZQJOJPH-UHFFFAOYSA-N 1 2 298.343 -2.135 20 0 CAADLO NC(=O)C[N@H+]1CCCN(C(=O)CN2CCOCC2=O)CC1 ZINC000790537312 582162696 /nfs/dbraw/zinc/16/26/96/582162696.db2.gz BPJLEXJZQJOJPH-UHFFFAOYSA-N 1 2 298.343 -2.135 20 0 CAADLO C[N@@H+]1CCO[C@H](C(=O)NC2(CO)COC(C)(C)OC2)C1 ZINC000791238635 582163225 /nfs/dbraw/zinc/16/32/25/582163225.db2.gz ZYFBQKZUPWNORF-JTQLQIEISA-N 1 2 288.344 -1.053 20 0 CAADLO C[N@H+]1CCO[C@H](C(=O)NC2(CO)COC(C)(C)OC2)C1 ZINC000791238635 582163226 /nfs/dbraw/zinc/16/32/26/582163226.db2.gz ZYFBQKZUPWNORF-JTQLQIEISA-N 1 2 288.344 -1.053 20 0 CAADLO CO[C@@H]1C[N@H+](CN2C(=O)C(=O)N(C)C2=O)C[C@@H]1OC ZINC000792713922 582163660 /nfs/dbraw/zinc/16/36/60/582163660.db2.gz OFVYTDNXIYZOJZ-OCAPTIKFSA-N 1 2 271.273 -1.290 20 0 CAADLO CO[C@@H]1C[N@@H+](CN2C(=O)C(=O)N(C)C2=O)C[C@@H]1OC ZINC000792713922 582163661 /nfs/dbraw/zinc/16/36/61/582163661.db2.gz OFVYTDNXIYZOJZ-OCAPTIKFSA-N 1 2 271.273 -1.290 20 0 CAADLO CNC(=O)[C@@H](O)CNc1nc2c(cnn2C)c(N)[nH+]1 ZINC000808048338 582165497 /nfs/dbraw/zinc/16/54/97/582165497.db2.gz QAQMSSLJWKEMTG-LURJTMIESA-N 1 2 265.277 -1.536 20 0 CAADLO CC[N@H+](CCS(=O)(=O)N(C)C)CC(=O)NC ZINC000795868453 582165980 /nfs/dbraw/zinc/16/59/80/582165980.db2.gz RYIOFKDEBRIJBP-UHFFFAOYSA-N 1 2 251.352 -1.054 20 0 CAADLO CC[N@@H+](CCS(=O)(=O)N(C)C)CC(=O)NC ZINC000795868453 582165981 /nfs/dbraw/zinc/16/59/81/582165981.db2.gz RYIOFKDEBRIJBP-UHFFFAOYSA-N 1 2 251.352 -1.054 20 0 CAADLO CN(C)S(=O)(=O)[C@H]1CCC[N@H+](CCS(N)(=O)=O)C1 ZINC000796133795 582166104 /nfs/dbraw/zinc/16/61/04/582166104.db2.gz YLQWXWNJDPJCNZ-VIFPVBQESA-N 1 2 299.418 -1.369 20 0 CAADLO CN(C)S(=O)(=O)[C@H]1CCC[N@@H+](CCS(N)(=O)=O)C1 ZINC000796133795 582166105 /nfs/dbraw/zinc/16/61/05/582166105.db2.gz YLQWXWNJDPJCNZ-VIFPVBQESA-N 1 2 299.418 -1.369 20 0 CAADLO CNC(=O)[C@@]1(C)CC[N@H+](Cn2ncn(C)c2=O)C1 ZINC000797413373 582166446 /nfs/dbraw/zinc/16/64/46/582166446.db2.gz CUYIQEQHGOSDPI-NSHDSACASA-N 1 2 253.306 -1.003 20 0 CAADLO CNC(=O)[C@@]1(C)CC[N@@H+](Cn2ncn(C)c2=O)C1 ZINC000797413373 582166447 /nfs/dbraw/zinc/16/64/47/582166447.db2.gz CUYIQEQHGOSDPI-NSHDSACASA-N 1 2 253.306 -1.003 20 0 CAADLO O=C1OC[C@@H]2C[N@@H+]([C@@H]3CCC(=O)NC3=O)CCN12 ZINC000799126540 582167086 /nfs/dbraw/zinc/16/70/86/582167086.db2.gz GARPWGNNCYZDPV-JGVFFNPUSA-N 1 2 253.258 -1.072 20 0 CAADLO O=C1OC[C@@H]2C[N@H+]([C@@H]3CCC(=O)NC3=O)CCN12 ZINC000799126540 582167088 /nfs/dbraw/zinc/16/70/88/582167088.db2.gz GARPWGNNCYZDPV-JGVFFNPUSA-N 1 2 253.258 -1.072 20 0 CAADLO CNS(=O)(=O)[C@H]1CC[N@@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC000799144428 582167098 /nfs/dbraw/zinc/16/70/98/582167098.db2.gz DRTMZUCXRMFCTE-YUMQZZPRSA-N 1 2 275.330 -1.585 20 0 CAADLO CNS(=O)(=O)[C@H]1CC[N@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC000799144428 582167099 /nfs/dbraw/zinc/16/70/99/582167099.db2.gz DRTMZUCXRMFCTE-YUMQZZPRSA-N 1 2 275.330 -1.585 20 0 CAADLO CNS(=O)(=O)[C@@H]1CC[N@@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC000799144427 582167142 /nfs/dbraw/zinc/16/71/42/582167142.db2.gz DRTMZUCXRMFCTE-SFYZADRCSA-N 1 2 275.330 -1.585 20 0 CAADLO CNS(=O)(=O)[C@@H]1CC[N@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC000799144427 582167143 /nfs/dbraw/zinc/16/71/43/582167143.db2.gz DRTMZUCXRMFCTE-SFYZADRCSA-N 1 2 275.330 -1.585 20 0 CAADLO CCNS(=O)(=O)[C@@H]1CC[N@@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC000799150751 582167164 /nfs/dbraw/zinc/16/71/64/582167164.db2.gz PRDBPILJIYHBDY-BDAKNGLRSA-N 1 2 289.357 -1.195 20 0 CAADLO CCNS(=O)(=O)[C@@H]1CC[N@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC000799150751 582167166 /nfs/dbraw/zinc/16/71/66/582167166.db2.gz PRDBPILJIYHBDY-BDAKNGLRSA-N 1 2 289.357 -1.195 20 0 CAADLO CCC[N@H+](CCS(N)(=O)=O)[C@H]1CC(=O)N(C)C1=O ZINC000801586057 582167954 /nfs/dbraw/zinc/16/79/54/582167954.db2.gz ZDBWIFQQDDQEHE-QMMMGPOBSA-N 1 2 277.346 -1.256 20 0 CAADLO CCC[N@@H+](CCS(N)(=O)=O)[C@H]1CC(=O)N(C)C1=O ZINC000801586057 582167956 /nfs/dbraw/zinc/16/79/56/582167956.db2.gz ZDBWIFQQDDQEHE-QMMMGPOBSA-N 1 2 277.346 -1.256 20 0 CAADLO C[C@H]1CN(C)C(=O)CN1C(=O)C(=O)NCc1[nH+]ccn1C ZINC000804624484 582169005 /nfs/dbraw/zinc/16/90/05/582169005.db2.gz XIIWDAVCQAICIR-VIFPVBQESA-N 1 2 293.327 -1.275 20 0 CAADLO Cn1nncc1NC(=O)N(CCO)CC[NH+]1CCOCC1 ZINC000809898845 582171421 /nfs/dbraw/zinc/17/14/21/582171421.db2.gz RZPBNSGLOZKTCY-UHFFFAOYSA-N 1 2 298.347 -1.027 20 0 CAADLO CN(Cc1cnn(C)n1)C[C@H](O)C[NH+]1CCOCC1 ZINC000809952746 582171438 /nfs/dbraw/zinc/17/14/38/582171438.db2.gz DWCQROVUNHZLTI-LBPRGKRZSA-N 1 2 269.349 -1.060 20 0 CAADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)Nc1cnnn1C ZINC000809908861 582171442 /nfs/dbraw/zinc/17/14/42/582171442.db2.gz HEZXILWHUPMHQZ-JTQLQIEISA-N 1 2 298.347 -1.028 20 0 CAADLO COC(=O)CNC(=O)CC[NH2+][C@]1(C)CCOC1=O ZINC000810096262 582171585 /nfs/dbraw/zinc/17/15/85/582171585.db2.gz JDIMDSRMIYDSFC-LLVKDONJSA-N 1 2 258.274 -1.039 20 0 CAADLO Cn1c[nH+]cc1CNC(=O)c1cn(C)c(=O)n(C)c1=O ZINC000810756581 582171695 /nfs/dbraw/zinc/17/16/95/582171695.db2.gz PCSBRCSCLIHUKZ-UHFFFAOYSA-N 1 2 277.284 -1.253 20 0 CAADLO CNS(=O)(=O)NC1CC[NH+](CC(=O)N(C)OC)CC1 ZINC000812839599 582172151 /nfs/dbraw/zinc/17/21/51/582172151.db2.gz BZPUMCHWEDFYTD-UHFFFAOYSA-N 1 2 294.377 -1.476 20 0 CAADLO Cn1cc(NC(=O)N(CCO)CC[NH+]2CCOCC2)nn1 ZINC000813009890 582172280 /nfs/dbraw/zinc/17/22/80/582172280.db2.gz YUMCOCKPSZBFPX-UHFFFAOYSA-N 1 2 298.347 -1.027 20 0 CAADLO CCCNS(=O)(=O)NC1CC[NH+](CC(N)=O)CC1 ZINC000813646595 582172436 /nfs/dbraw/zinc/17/24/36/582172436.db2.gz GOEGCICYSCLJOZ-UHFFFAOYSA-N 1 2 278.378 -1.230 20 0 CAADLO NC(=O)C1=NO[C@@H](CNC(=O)NCCn2cc[nH+]c2)C1 ZINC000814188910 582172768 /nfs/dbraw/zinc/17/27/68/582172768.db2.gz XVDIEYFJCNPONX-MRVPVSSYSA-N 1 2 280.288 -1.188 20 0 CAADLO CNC(=O)[C@H](O)CNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000816329427 582173915 /nfs/dbraw/zinc/17/39/15/582173915.db2.gz NLLIOSZJHWLWOH-VXGBXAGGSA-N 1 2 299.371 -1.147 20 0 CAADLO CNC(=O)[C@H](O)CNC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000816329427 582173916 /nfs/dbraw/zinc/17/39/16/582173916.db2.gz NLLIOSZJHWLWOH-VXGBXAGGSA-N 1 2 299.371 -1.147 20 0 CAADLO C[NH+]1CCC(ONC(=O)CN2CCOCC2=O)CC1 ZINC000816533929 582174108 /nfs/dbraw/zinc/17/41/08/582174108.db2.gz PEQLDOPRGUSYIF-UHFFFAOYSA-N 1 2 271.317 -1.013 20 0 CAADLO CS(=O)(=O)CC(=O)N[C@H](CO)C[NH+]1CCCC1 ZINC000819837584 582178275 /nfs/dbraw/zinc/17/82/75/582178275.db2.gz OGQMCMKGSZNLAN-VIFPVBQESA-N 1 2 264.347 -1.396 20 0 CAADLO Cn1ncc(CCC(=O)N[C@H](CO)C[NH+]2CCOCC2)n1 ZINC000820015654 582178758 /nfs/dbraw/zinc/17/87/58/582178758.db2.gz LUXUMUOHDMUSOV-LBPRGKRZSA-N 1 2 297.359 -1.443 20 0 CAADLO COC(OC)C(=O)N(CCO)CC[NH+]1CCOCC1 ZINC000821097335 582181202 /nfs/dbraw/zinc/18/12/02/582181202.db2.gz JEKSDUWDEJALOQ-UHFFFAOYSA-N 1 2 276.333 -1.242 20 0 CAADLO Cn1cnc(C(=O)NC[C@H]2C[NH+]3CCN2CC3)cc1=O ZINC000821135866 582181299 /nfs/dbraw/zinc/18/12/99/582181299.db2.gz VTEXXZDCNFMATN-JTQLQIEISA-N 1 2 277.328 -1.490 20 0 CAADLO O=C(CCCc1nn[nH]n1)NC[C@H]1C[NH+]2CCN1CC2 ZINC000821134391 582181317 /nfs/dbraw/zinc/18/13/17/582181317.db2.gz DCDSKUZDBXMXDV-JTQLQIEISA-N 1 2 279.348 -1.362 20 0 CAADLO Cn1cnc(C(=O)NC[C@@H]2C[NH+]3CCN2CC3)cc1=O ZINC000821135867 582181352 /nfs/dbraw/zinc/18/13/52/582181352.db2.gz VTEXXZDCNFMATN-SNVBAGLBSA-N 1 2 277.328 -1.490 20 0 CAADLO COC(OC)C(=O)NCCC[N@@H+]1CCNC(=O)C1 ZINC000821245920 582181582 /nfs/dbraw/zinc/18/15/82/582181582.db2.gz GBQNXYJNQMHYMO-UHFFFAOYSA-N 1 2 259.306 -1.457 20 0 CAADLO COC(OC)C(=O)NCCC[N@H+]1CCNC(=O)C1 ZINC000821245920 582181583 /nfs/dbraw/zinc/18/15/83/582181583.db2.gz GBQNXYJNQMHYMO-UHFFFAOYSA-N 1 2 259.306 -1.457 20 0 CAADLO Cn1cnc(C(=O)NCCC[N@@H+]2CCNC(=O)C2)cc1=O ZINC000821245375 582181614 /nfs/dbraw/zinc/18/16/14/582181614.db2.gz BOHSAMDKJZDHQP-UHFFFAOYSA-N 1 2 293.327 -1.668 20 0 CAADLO Cn1cnc(C(=O)NCCC[N@H+]2CCNC(=O)C2)cc1=O ZINC000821245375 582181615 /nfs/dbraw/zinc/18/16/15/582181615.db2.gz BOHSAMDKJZDHQP-UHFFFAOYSA-N 1 2 293.327 -1.668 20 0 CAADLO CC[NH+]1CCN(C(=O)Cn2cnc(-c3nn[nH]n3)n2)CC1 ZINC000821267295 582181640 /nfs/dbraw/zinc/18/16/40/582181640.db2.gz MANNZBNUNSFKII-UHFFFAOYSA-N 1 2 291.319 -1.378 20 0 CAADLO O=CN1CCC[C@H]1C(=O)N1CC[NH+](CCO)CC1 ZINC000821361016 582182150 /nfs/dbraw/zinc/18/21/50/582182150.db2.gz ZABWYIDSCGQOES-NSHDSACASA-N 1 2 255.318 -1.256 20 0 CAADLO C[N@@H+]1CCO[C@H](C(=O)n2ncc(-c3nn[nH]n3)c2N)C1 ZINC000821628298 582183241 /nfs/dbraw/zinc/18/32/41/582183241.db2.gz FORBRTPNXMKCTK-ZETCQYMHSA-N 1 2 278.276 -1.384 20 0 CAADLO C[N@H+]1CCO[C@H](C(=O)n2ncc(-c3nn[nH]n3)c2N)C1 ZINC000821628298 582183242 /nfs/dbraw/zinc/18/32/42/582183242.db2.gz FORBRTPNXMKCTK-ZETCQYMHSA-N 1 2 278.276 -1.384 20 0 CAADLO O=C(CN1CCOC1=O)N[C@H](CO)C[NH+]1CCOCC1 ZINC000822672438 582184390 /nfs/dbraw/zinc/18/43/90/582184390.db2.gz WTEWUXCBQIOZRD-JTQLQIEISA-N 1 2 287.316 -1.752 20 0 CAADLO C[C@@]1(C(=O)N[C@@H](CO)C[NH+]2CCOCC2)CCC(=O)N1 ZINC000822672500 582184513 /nfs/dbraw/zinc/18/45/13/582184513.db2.gz YLPPZIOOURVKBD-MFKMUULPSA-N 1 2 285.344 -1.536 20 0 CAADLO C[C@@]1(C(=O)N[C@H](CO)C[NH+]2CCOCC2)CCC(=O)N1 ZINC000822672496 582184539 /nfs/dbraw/zinc/18/45/39/582184539.db2.gz YLPPZIOOURVKBD-GWCFXTLKSA-N 1 2 285.344 -1.536 20 0 CAADLO O=C(CN1CCOC1=O)NC[C@@H]1CN2CC[N@@H+]1CCC2 ZINC000822724619 582184638 /nfs/dbraw/zinc/18/46/38/582184638.db2.gz QWLNGSDRUFPYPR-LLVKDONJSA-N 1 2 282.344 -1.055 20 0 CAADLO O=C(CN1CCOC1=O)NC[C@@H]1CN2CC[N@H+]1CCC2 ZINC000822724619 582184640 /nfs/dbraw/zinc/18/46/40/582184640.db2.gz QWLNGSDRUFPYPR-LLVKDONJSA-N 1 2 282.344 -1.055 20 0 CAADLO Cc1nn[nH]c1C(=O)N(C)CC(=O)N1CC[NH+](C)CC1 ZINC000825291928 582188388 /nfs/dbraw/zinc/18/83/88/582188388.db2.gz CNDXODKRCFFTFX-UHFFFAOYSA-N 1 2 280.332 -1.041 20 0 CAADLO CN1C[C@H](C(=O)N2CCC[N@H+](CC(N)=O)CC2)NC1=O ZINC000826075523 582189770 /nfs/dbraw/zinc/18/97/70/582189770.db2.gz WJTZVHSJOYDRHE-SECBINFHSA-N 1 2 283.332 -1.970 20 0 CAADLO CN1C[C@H](C(=O)N2CCC[N@@H+](CC(N)=O)CC2)NC1=O ZINC000826075523 582189771 /nfs/dbraw/zinc/18/97/71/582189771.db2.gz WJTZVHSJOYDRHE-SECBINFHSA-N 1 2 283.332 -1.970 20 0 CAADLO NC(=O)C[N@@H+]1CCCN(C(=O)[C@H](O)C2CC2)CC1 ZINC000826074721 582189868 /nfs/dbraw/zinc/18/98/68/582189868.db2.gz HXIQZKCAOIVZMV-LLVKDONJSA-N 1 2 255.318 -1.223 20 0 CAADLO NC(=O)C[N@H+]1CCCN(C(=O)[C@H](O)C2CC2)CC1 ZINC000826074721 582189870 /nfs/dbraw/zinc/18/98/70/582189870.db2.gz HXIQZKCAOIVZMV-LLVKDONJSA-N 1 2 255.318 -1.223 20 0 CAADLO O=C(Cn1cc[nH+]c1)NC[C@@]12COCCN1C(=O)COC2 ZINC000826125505 582189903 /nfs/dbraw/zinc/18/99/03/582189903.db2.gz LWKCWNDENKGTGU-ZDUSSCGKSA-N 1 2 294.311 -1.373 20 0 CAADLO Cn1cc[nH+]c1Cn1c(=O)c(-c2nn[nH]n2)cn(C)c1=O ZINC000826363934 582190532 /nfs/dbraw/zinc/19/05/32/582190532.db2.gz GFPLXTBLELEDAA-UHFFFAOYSA-N 1 2 288.271 -1.491 20 0 CAADLO NC(=O)C[NH+]1CCN(c2cnccc2-c2nn[nH]n2)CC1 ZINC000826391511 582190654 /nfs/dbraw/zinc/19/06/54/582190654.db2.gz OJSBSEAXHNOMFX-UHFFFAOYSA-N 1 2 288.315 -1.131 20 0 CAADLO O=C(c1ccc(-c2nn[nH]n2)[nH]1)N1CC[NH+](CCO)CC1 ZINC000826471479 582191037 /nfs/dbraw/zinc/19/10/37/582191037.db2.gz AWHPQEPRXZUHCK-UHFFFAOYSA-N 1 2 291.315 -1.055 20 0 CAADLO O[C@@H]1C[N@@H+](Cc2ccc(-c3nn[nH]n3)o2)C[C@@H]1O ZINC000826510872 582191230 /nfs/dbraw/zinc/19/12/30/582191230.db2.gz OWMSKCQOGNBBPP-OCAPTIKFSA-N 1 2 251.246 -1.003 20 0 CAADLO O[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)o2)C[C@@H]1O ZINC000826510872 582191232 /nfs/dbraw/zinc/19/12/32/582191232.db2.gz OWMSKCQOGNBBPP-OCAPTIKFSA-N 1 2 251.246 -1.003 20 0 CAADLO C[C@@H]1OCCO[C@@H]1C(=O)N1CC[N@H+](C)C[C@@H]1CO ZINC000826707245 582191552 /nfs/dbraw/zinc/19/15/52/582191552.db2.gz GXHMDLMTCZVCPN-AXFHLTTASA-N 1 2 258.318 -1.075 20 0 CAADLO C[C@@H]1OCCO[C@@H]1C(=O)N1CC[N@@H+](C)C[C@@H]1CO ZINC000826707245 582191553 /nfs/dbraw/zinc/19/15/53/582191553.db2.gz GXHMDLMTCZVCPN-AXFHLTTASA-N 1 2 258.318 -1.075 20 0 CAADLO CC(=O)N1CCO[C@H](C(=O)N2CC[N@@H+](C)C[C@@H]2CO)C1 ZINC000826706623 582191606 /nfs/dbraw/zinc/19/16/06/582191606.db2.gz BRVLJOOZCKEXOI-NEPJUHHUSA-N 1 2 285.344 -1.631 20 0 CAADLO CC(=O)N1CCO[C@H](C(=O)N2CC[N@H+](C)C[C@@H]2CO)C1 ZINC000826706623 582191607 /nfs/dbraw/zinc/19/16/07/582191607.db2.gz BRVLJOOZCKEXOI-NEPJUHHUSA-N 1 2 285.344 -1.631 20 0 CAADLO O=C(CN1CC[NH2+]CC1=O)NCCCNc1ncccn1 ZINC000827214843 582192013 /nfs/dbraw/zinc/19/20/13/582192013.db2.gz LHRBQQLNWVRYQO-UHFFFAOYSA-N 1 2 292.343 -1.173 20 0 CAADLO CC1=NO[C@@H](C(=O)NCC(=O)NCC[NH+]2CCOCC2)C1 ZINC000827261163 582192126 /nfs/dbraw/zinc/19/21/26/582192126.db2.gz WHXVFZYSRNEKCH-LLVKDONJSA-N 1 2 298.343 -1.284 20 0 CAADLO CC(=O)N1CCO[C@@H](C(=O)NC[C@@H]2COCC[N@H+]2C)C1 ZINC000827422530 582192361 /nfs/dbraw/zinc/19/23/61/582192361.db2.gz DWTHMDCVSUZHFI-VXGBXAGGSA-N 1 2 285.344 -1.320 20 0 CAADLO CC(=O)N1CCO[C@@H](C(=O)NC[C@@H]2COCC[N@@H+]2C)C1 ZINC000827422530 582192362 /nfs/dbraw/zinc/19/23/62/582192362.db2.gz DWTHMDCVSUZHFI-VXGBXAGGSA-N 1 2 285.344 -1.320 20 0 CAADLO O=C(CN1CC[NH2+]CC1=O)NCc1nc(C2CC2)no1 ZINC000827838299 582193482 /nfs/dbraw/zinc/19/34/82/582193482.db2.gz VAVNAQVGRIFSOW-UHFFFAOYSA-N 1 2 279.300 -1.005 20 0 CAADLO C[N@@H+]1CCN(C(=O)[C@@H]2CSCC(=O)N2)C[C@@H]1CO ZINC000827983742 582193942 /nfs/dbraw/zinc/19/39/42/582193942.db2.gz SSGFOCVPQWSRTD-BDAKNGLRSA-N 1 2 273.358 -1.647 20 0 CAADLO C[N@H+]1CCN(C(=O)[C@@H]2CSCC(=O)N2)C[C@@H]1CO ZINC000827983742 582193943 /nfs/dbraw/zinc/19/39/43/582193943.db2.gz SSGFOCVPQWSRTD-BDAKNGLRSA-N 1 2 273.358 -1.647 20 0 CAADLO CC(=O)N1CCO[C@@H](C(=O)N2CC[N@@H+](C)[C@H](CO)C2)C1 ZINC000827983790 582193950 /nfs/dbraw/zinc/19/39/50/582193950.db2.gz UJBFBOCLAZRAPO-NWDGAFQWSA-N 1 2 285.344 -1.631 20 0 CAADLO CC(=O)N1CCO[C@@H](C(=O)N2CC[N@H+](C)[C@H](CO)C2)C1 ZINC000827983790 582193951 /nfs/dbraw/zinc/19/39/51/582193951.db2.gz UJBFBOCLAZRAPO-NWDGAFQWSA-N 1 2 285.344 -1.631 20 0 CAADLO CC(=O)N1CCO[C@@H](C(=O)N2CC[N@@H+](C)[C@@H](CO)C2)C1 ZINC000827983792 582193959 /nfs/dbraw/zinc/19/39/59/582193959.db2.gz UJBFBOCLAZRAPO-VXGBXAGGSA-N 1 2 285.344 -1.631 20 0 CAADLO CC(=O)N1CCO[C@@H](C(=O)N2CC[N@H+](C)[C@@H](CO)C2)C1 ZINC000827983792 582193960 /nfs/dbraw/zinc/19/39/60/582193960.db2.gz UJBFBOCLAZRAPO-VXGBXAGGSA-N 1 2 285.344 -1.631 20 0 CAADLO CC(=O)N1CCO[C@H](C(=O)N2CC[N@@H+](C)[C@@H](CO)C2)C1 ZINC000827983789 582193971 /nfs/dbraw/zinc/19/39/71/582193971.db2.gz UJBFBOCLAZRAPO-NEPJUHHUSA-N 1 2 285.344 -1.631 20 0 CAADLO CC(=O)N1CCO[C@H](C(=O)N2CC[N@H+](C)[C@@H](CO)C2)C1 ZINC000827983789 582193972 /nfs/dbraw/zinc/19/39/72/582193972.db2.gz UJBFBOCLAZRAPO-NEPJUHHUSA-N 1 2 285.344 -1.631 20 0 CAADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@H]1CCCN1C=O ZINC000829806705 582197291 /nfs/dbraw/zinc/19/72/91/582197291.db2.gz RXQFAVQRECWGJY-QWHCGFSZSA-N 1 2 299.371 -1.241 20 0 CAADLO Cc1nonc1CNC(=O)CN1CC[NH2+]CC1=O ZINC000829865051 582197627 /nfs/dbraw/zinc/19/76/27/582197627.db2.gz FJCNCWFRMDUIDC-UHFFFAOYSA-N 1 2 253.262 -1.574 20 0 CAADLO CC[N@@H+]1CCOC[C@@H]1C(=O)N1CC(O)(C(=O)OC)C1 ZINC000829960468 582197741 /nfs/dbraw/zinc/19/77/41/582197741.db2.gz AHODDPUCOLRZIC-SECBINFHSA-N 1 2 272.301 -1.547 20 0 CAADLO CC[N@H+]1CCOC[C@@H]1C(=O)N1CC(O)(C(=O)OC)C1 ZINC000829960468 582197742 /nfs/dbraw/zinc/19/77/42/582197742.db2.gz AHODDPUCOLRZIC-SECBINFHSA-N 1 2 272.301 -1.547 20 0 CAADLO COC(=O)[C@@H]1C[C@@H](O)C[N@H+](CCS(C)(=O)=O)C1 ZINC000830892190 582199213 /nfs/dbraw/zinc/19/92/13/582199213.db2.gz PLEVVZRAVPMPDE-RKDXNWHRSA-N 1 2 265.331 -1.113 20 0 CAADLO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+](CCS(C)(=O)=O)C1 ZINC000830892190 582199214 /nfs/dbraw/zinc/19/92/14/582199214.db2.gz PLEVVZRAVPMPDE-RKDXNWHRSA-N 1 2 265.331 -1.113 20 0 CAADLO O=CN1CCC[C@H]1C(=O)N(CCO)CC[NH+]1CCOCC1 ZINC000830637997 582199244 /nfs/dbraw/zinc/19/92/44/582199244.db2.gz YWZPYRGKNZBWRL-ZDUSSCGKSA-N 1 2 299.371 -1.240 20 0 CAADLO O=C(C[C@H]1CCC(=O)N1)N(CCO)CC[NH+]1CCOCC1 ZINC000830637521 582199252 /nfs/dbraw/zinc/19/92/52/582199252.db2.gz RKBBSKOKLQFEEI-GFCCVEGCSA-N 1 2 299.371 -1.192 20 0 CAADLO COC(=O)[C@H]1C[C@@H](O)C[N@H+](CCS(C)(=O)=O)C1 ZINC000830892188 582199478 /nfs/dbraw/zinc/19/94/78/582199478.db2.gz PLEVVZRAVPMPDE-DTWKUNHWSA-N 1 2 265.331 -1.113 20 0 CAADLO COC(=O)[C@H]1C[C@@H](O)C[N@@H+](CCS(C)(=O)=O)C1 ZINC000830892188 582199479 /nfs/dbraw/zinc/19/94/79/582199479.db2.gz PLEVVZRAVPMPDE-DTWKUNHWSA-N 1 2 265.331 -1.113 20 0 CAADLO C[C@@H]1CN(C(=O)Cn2[nH]cc3c(=O)ncnc2-3)CC[NH2+]1 ZINC000831578265 582202632 /nfs/dbraw/zinc/20/26/32/582202632.db2.gz LPVUSAQCUOQURU-MRVPVSSYSA-N 1 2 276.300 -1.109 20 0 CAADLO CCCCOC(=O)CNC(=O)CN1CC[NH2+]CC1=O ZINC000831916403 582203659 /nfs/dbraw/zinc/20/36/59/582203659.db2.gz OJDFQZCBIDGXNQ-UHFFFAOYSA-N 1 2 271.317 -1.122 20 0 CAADLO O=C(CN1CC[NH2+]CC1=O)NCCOC(=O)C1CC1 ZINC000832182629 582204201 /nfs/dbraw/zinc/20/42/01/582204201.db2.gz MMUYAMFASFEVFB-UHFFFAOYSA-N 1 2 269.301 -1.512 20 0 CAADLO C[C@@H]1C[NH2+]CCN1C(=O)Cn1[nH]cc2c(=O)ncnc1-2 ZINC000832472010 582204536 /nfs/dbraw/zinc/20/45/36/582204536.db2.gz YBIFNBZCYXKPOU-MRVPVSSYSA-N 1 2 276.300 -1.109 20 0 CAADLO C[N@@H+]1CCCC[C@H]1C(=O)NC[C@H](O)CS(C)(=O)=O ZINC000832724359 582205142 /nfs/dbraw/zinc/20/51/42/582205142.db2.gz YVSVIAANSSHEBI-UWVGGRQHSA-N 1 2 278.374 -1.008 20 0 CAADLO C[N@H+]1CCCC[C@H]1C(=O)NC[C@H](O)CS(C)(=O)=O ZINC000832724359 582205144 /nfs/dbraw/zinc/20/51/44/582205144.db2.gz YVSVIAANSSHEBI-UWVGGRQHSA-N 1 2 278.374 -1.008 20 0 CAADLO CONC(=O)CNC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000832767040 582205204 /nfs/dbraw/zinc/20/52/04/582205204.db2.gz SHZQVFWWAZURRU-VIFPVBQESA-N 1 2 286.332 -1.810 20 0 CAADLO CONC(=O)CNC(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000832762520 582205281 /nfs/dbraw/zinc/20/52/81/582205281.db2.gz WCRXLQBNXKTXOG-SECBINFHSA-N 1 2 256.306 -1.830 20 0 CAADLO CONC(=O)CNC(=O)[C@H]1C[N@H+]2CCN1CCC2 ZINC000832762520 582205282 /nfs/dbraw/zinc/20/52/82/582205282.db2.gz WCRXLQBNXKTXOG-SECBINFHSA-N 1 2 256.306 -1.830 20 0 CAADLO COCCN1CCN(C(=O)[C@H](O)c2c[nH+]c[nH]2)CC1=O ZINC000867149034 582211610 /nfs/dbraw/zinc/21/16/10/582211610.db2.gz SLVOIKHRYXWHEE-LLVKDONJSA-N 1 2 282.300 -1.240 20 0 CAADLO CN1C(=O)CN(NC(=O)C=CC[NH+]2CCOCC2)C1=O ZINC000867140390 582211635 /nfs/dbraw/zinc/21/16/35/582211635.db2.gz YDFWXAZURIBTJZ-NSCUHMNNSA-N 1 2 282.300 -1.200 20 0 CAADLO CCOC(=O)[C@H](CO)NC(=O)/C=C\C[NH+]1CCOCC1 ZINC000867126224 582211641 /nfs/dbraw/zinc/21/16/41/582211641.db2.gz CRHUOLQURLGAAY-BYCRGOAPSA-N 1 2 286.328 -1.085 20 0 CAADLO CCOC(=O)[C@@H](CO)NC(=O)/C=C/C[NH+]1CCOCC1 ZINC000867126226 582211697 /nfs/dbraw/zinc/21/16/97/582211697.db2.gz CRHUOLQURLGAAY-PGLGOXFNSA-N 1 2 286.328 -1.085 20 0 CAADLO CN(C[C@H](O)CO)C(=O)/C=C\C[NH+]1CCOCC1 ZINC000867155459 582211708 /nfs/dbraw/zinc/21/17/08/582211708.db2.gz YNXHUIBUKSSUCS-QUCGXOGASA-N 1 2 258.318 -1.314 20 0 CAADLO C[N@@H+]1CCO[C@H](CS(=O)(=O)NCC2OCCCO2)C1 ZINC000867161881 582211828 /nfs/dbraw/zinc/21/18/28/582211828.db2.gz ULCNJQMEGVFYAM-JTQLQIEISA-N 1 2 294.373 -1.001 20 0 CAADLO C[N@H+]1CCO[C@H](CS(=O)(=O)NCC2OCCCO2)C1 ZINC000867161881 582211829 /nfs/dbraw/zinc/21/18/29/582211829.db2.gz ULCNJQMEGVFYAM-JTQLQIEISA-N 1 2 294.373 -1.001 20 0 CAADLO COC[C@@H](O)CNS(=O)(=O)C[C@@H]1C[N@H+](C)CCO1 ZINC000867240103 582212150 /nfs/dbraw/zinc/21/21/50/582212150.db2.gz RYRAVWPDBNSHMH-UWVGGRQHSA-N 1 2 282.362 -1.756 20 0 CAADLO COC[C@@H](O)CNS(=O)(=O)C[C@@H]1C[N@@H+](C)CCO1 ZINC000867240103 582212152 /nfs/dbraw/zinc/21/21/52/582212152.db2.gz RYRAVWPDBNSHMH-UWVGGRQHSA-N 1 2 282.362 -1.756 20 0 CAADLO O=C(/C=C\C[NH+]1CCOCC1)N[C@@H]1CNC(=O)C1 ZINC000867251028 582212194 /nfs/dbraw/zinc/21/21/94/582212194.db2.gz PTHQAHJKIHHBJH-SYBPUXJVSA-N 1 2 253.302 -1.121 20 0 CAADLO C[N@@H+]1CCO[C@H](CS(=O)(=O)N[C@]2(C)CCOC2=O)C1 ZINC000867283533 582212297 /nfs/dbraw/zinc/21/22/97/582212297.db2.gz JOIKSNQJGHYMJQ-GXSJLCMTSA-N 1 2 292.357 -1.058 20 0 CAADLO C[N@H+]1CCO[C@H](CS(=O)(=O)N[C@]2(C)CCOC2=O)C1 ZINC000867283533 582212298 /nfs/dbraw/zinc/21/22/98/582212298.db2.gz JOIKSNQJGHYMJQ-GXSJLCMTSA-N 1 2 292.357 -1.058 20 0 CAADLO COC[C@]1(C)NC(=O)N(C[N@H+](C)CCNC(C)=O)C1=O ZINC000842635524 582212938 /nfs/dbraw/zinc/21/29/38/582212938.db2.gz OCBIBKFLKRNFAO-LBPRGKRZSA-N 1 2 286.332 -1.031 20 0 CAADLO COC[C@]1(C)NC(=O)N(C[N@@H+](C)CCNC(C)=O)C1=O ZINC000842635524 582212939 /nfs/dbraw/zinc/21/29/39/582212939.db2.gz OCBIBKFLKRNFAO-LBPRGKRZSA-N 1 2 286.332 -1.031 20 0 CAADLO CC(=O)NCC[N@@H+](C)CN1C(=O)C(=O)N(C)C1=O ZINC000842630760 582212972 /nfs/dbraw/zinc/21/29/72/582212972.db2.gz GLIMAXBHCYKCJK-UHFFFAOYSA-N 1 2 256.262 -1.568 20 0 CAADLO CC(=O)NCC[N@H+](C)CN1C(=O)C(=O)N(C)C1=O ZINC000842630760 582212973 /nfs/dbraw/zinc/21/29/73/582212973.db2.gz GLIMAXBHCYKCJK-UHFFFAOYSA-N 1 2 256.262 -1.568 20 0 CAADLO CN1C(=O)C(=O)N(C[N@@H+]2CC[C@@H]3COC(=O)N[C@H]3C2)C1=O ZINC000842642599 582213176 /nfs/dbraw/zinc/21/31/76/582213176.db2.gz HBULLBCXXLDPMG-SFYZADRCSA-N 1 2 296.283 -1.205 20 0 CAADLO CN1C(=O)C(=O)N(C[N@H+]2CC[C@@H]3COC(=O)N[C@H]3C2)C1=O ZINC000842642599 582213178 /nfs/dbraw/zinc/21/31/78/582213178.db2.gz HBULLBCXXLDPMG-SFYZADRCSA-N 1 2 296.283 -1.205 20 0 CAADLO O=C(/C=C/C[NH+]1CCOCC1)NCCN1CCNC(=O)C1 ZINC000867307229 582213295 /nfs/dbraw/zinc/21/32/95/582213295.db2.gz MKEJECWAUNGYQT-OWOJBTEDSA-N 1 2 296.371 -1.577 20 0 CAADLO [NH3+]CC(F)(F)CNC(=O)CCn1cc[nH]c(=O)c1=O ZINC000843460832 582214481 /nfs/dbraw/zinc/21/44/81/582214481.db2.gz HLWSFQCNNYJKLR-UHFFFAOYSA-N 1 2 276.243 -1.363 20 0 CAADLO CNC(=O)[C@@H]1CC[N@H+](Cn2nc(C)n(C)c2=O)C1 ZINC000844709128 582216984 /nfs/dbraw/zinc/21/69/84/582216984.db2.gz VSXAIWQWCLKJEH-SECBINFHSA-N 1 2 253.306 -1.084 20 0 CAADLO CNC(=O)[C@@H]1CC[N@@H+](Cn2nc(C)n(C)c2=O)C1 ZINC000844709128 582216985 /nfs/dbraw/zinc/21/69/85/582216985.db2.gz VSXAIWQWCLKJEH-SECBINFHSA-N 1 2 253.306 -1.084 20 0 CAADLO CNC(=O)[C@H]1CC[N@H+](Cn2nc(C)n(C)c2=O)C1 ZINC000844709129 582217035 /nfs/dbraw/zinc/21/70/35/582217035.db2.gz VSXAIWQWCLKJEH-VIFPVBQESA-N 1 2 253.306 -1.084 20 0 CAADLO CNC(=O)[C@H]1CC[N@@H+](Cn2nc(C)n(C)c2=O)C1 ZINC000844709129 582217036 /nfs/dbraw/zinc/21/70/36/582217036.db2.gz VSXAIWQWCLKJEH-VIFPVBQESA-N 1 2 253.306 -1.084 20 0 CAADLO C[C@H]1C[N@H+](CCNC(=O)NC(C)(CO)CO)CCO1 ZINC000844942031 582217238 /nfs/dbraw/zinc/21/72/38/582217238.db2.gz BKSMIVZTLFBPPD-JTQLQIEISA-N 1 2 275.349 -1.250 20 0 CAADLO C[C@H]1C[N@@H+](CCNC(=O)NC(C)(CO)CO)CCO1 ZINC000844942031 582217239 /nfs/dbraw/zinc/21/72/39/582217239.db2.gz BKSMIVZTLFBPPD-JTQLQIEISA-N 1 2 275.349 -1.250 20 0 CAADLO COC(=O)[C@@H](F)CNS(=O)(=O)C[C@H]1C[N@H+](C)CCO1 ZINC000867385627 582218465 /nfs/dbraw/zinc/21/84/65/582218465.db2.gz LSFJAZOKNJDGAG-BDAKNGLRSA-N 1 2 298.336 -1.253 20 0 CAADLO COC(=O)[C@@H](F)CNS(=O)(=O)C[C@H]1C[N@@H+](C)CCO1 ZINC000867385627 582218466 /nfs/dbraw/zinc/21/84/66/582218466.db2.gz LSFJAZOKNJDGAG-BDAKNGLRSA-N 1 2 298.336 -1.253 20 0 CAADLO CCOCC[NH+]1CC(OC(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC000845523220 582218736 /nfs/dbraw/zinc/21/87/36/582218736.db2.gz VPEFQBANTYGKGE-JTQLQIEISA-N 1 2 292.357 -1.058 20 0 CAADLO CCONC(=O)CNC(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000845535102 582218804 /nfs/dbraw/zinc/21/88/04/582218804.db2.gz LVIMHEBZNGWAFG-SNVBAGLBSA-N 1 2 286.332 -1.486 20 0 CAADLO CCONC(=O)CNC(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000845535102 582218805 /nfs/dbraw/zinc/21/88/05/582218805.db2.gz LVIMHEBZNGWAFG-SNVBAGLBSA-N 1 2 286.332 -1.486 20 0 CAADLO NC(=O)c1ncn(CC(=O)O[C@@H]2CC[N@H+](CCF)C2)n1 ZINC000845544522 582219340 /nfs/dbraw/zinc/21/93/40/582219340.db2.gz RELDAVCHVQITNO-MRVPVSSYSA-N 1 2 285.279 -1.036 20 0 CAADLO NC(=O)c1ncn(CC(=O)O[C@@H]2CC[N@@H+](CCF)C2)n1 ZINC000845544522 582219341 /nfs/dbraw/zinc/21/93/41/582219341.db2.gz RELDAVCHVQITNO-MRVPVSSYSA-N 1 2 285.279 -1.036 20 0 CAADLO CCON(C)C(=O)C[NH2+]Cc1cn(CC(=O)OC)nn1 ZINC000846062674 582220914 /nfs/dbraw/zinc/22/09/14/582220914.db2.gz JGVQOJMYTDWVMQ-UHFFFAOYSA-N 1 2 285.304 -1.049 20 0 CAADLO COC(=O)[C@](C)(O)CNC(=O)/C=C\C[NH+]1CCOCC1 ZINC000867416705 582221479 /nfs/dbraw/zinc/22/14/79/582221479.db2.gz GLJYJPXZQYOEMP-DHCBQETCSA-N 1 2 286.328 -1.085 20 0 CAADLO CON(C)C(=O)CNS(=O)(=O)C[C@H]1C[N@H+](C)CCO1 ZINC000867421152 582221507 /nfs/dbraw/zinc/22/15/07/582221507.db2.gz PNIDIGSMNCGDCN-SECBINFHSA-N 1 2 295.361 -1.744 20 0 CAADLO CON(C)C(=O)CNS(=O)(=O)C[C@H]1C[N@@H+](C)CCO1 ZINC000867421152 582221508 /nfs/dbraw/zinc/22/15/08/582221508.db2.gz PNIDIGSMNCGDCN-SECBINFHSA-N 1 2 295.361 -1.744 20 0 CAADLO CCONC(=O)CNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC000846494539 582221954 /nfs/dbraw/zinc/22/19/54/582221954.db2.gz IANHWEXUIDMZKQ-SECBINFHSA-N 1 2 259.306 -1.109 20 0 CAADLO CCONC(=O)CNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC000846494539 582221956 /nfs/dbraw/zinc/22/19/56/582221956.db2.gz IANHWEXUIDMZKQ-SECBINFHSA-N 1 2 259.306 -1.109 20 0 CAADLO C[N@@H+]1CCO[C@H](CS(=O)(=O)N[C@@H]2CC[C@H]2O)C1 ZINC000867430120 582222245 /nfs/dbraw/zinc/22/22/45/582222245.db2.gz NKNMTGLSNMWHML-IVZWLZJFSA-N 1 2 264.347 -1.240 20 0 CAADLO C[N@H+]1CCO[C@H](CS(=O)(=O)N[C@@H]2CC[C@H]2O)C1 ZINC000867430120 582222246 /nfs/dbraw/zinc/22/22/46/582222246.db2.gz NKNMTGLSNMWHML-IVZWLZJFSA-N 1 2 264.347 -1.240 20 0 CAADLO CCN1C[C@H](C[NH+]2CCN(C(=O)CO)CC2)OC1=O ZINC000846834410 582223429 /nfs/dbraw/zinc/22/34/29/582223429.db2.gz CJKVIOCVILRCGU-JTQLQIEISA-N 1 2 271.317 -1.036 20 0 CAADLO CCN1C[C@H](C[N@@H+]2CCN3C(=O)C(=O)NC[C@H]3C2)OC1=O ZINC000846816325 582223438 /nfs/dbraw/zinc/22/34/38/582223438.db2.gz FPBRJBMJTYQJPJ-UWVGGRQHSA-N 1 2 296.327 -1.530 20 0 CAADLO CCN1C[C@H](C[N@H+]2CCN3C(=O)C(=O)NC[C@H]3C2)OC1=O ZINC000846816325 582223440 /nfs/dbraw/zinc/22/34/40/582223440.db2.gz FPBRJBMJTYQJPJ-UWVGGRQHSA-N 1 2 296.327 -1.530 20 0 CAADLO COC/C=C/C(=O)N[C@@H](CO)C[NH+]1CCOCC1 ZINC000847137416 582223702 /nfs/dbraw/zinc/22/37/02/582223702.db2.gz BVSKMZUENURFJL-KXMPLOMGSA-N 1 2 258.318 -1.002 20 0 CAADLO O=C(N[C@H](CO)C[NH+]1CCOCC1)[C@@H](O)c1ccccn1 ZINC000847142211 582223842 /nfs/dbraw/zinc/22/38/42/582223842.db2.gz XOZMRQYXYNZVQW-AAEUAGOBSA-N 1 2 295.339 -1.076 20 0 CAADLO C[C@@H]1OC(=O)N[C@H]1C(=O)N[C@H](CO)C[NH+]1CCOCC1 ZINC000847142207 582223854 /nfs/dbraw/zinc/22/38/54/582223854.db2.gz XFFYDFUXXBVTHH-LPEHRKFASA-N 1 2 287.316 -1.707 20 0 CAADLO Cn1cc([C@H](O)C(=O)N[C@H](CO)C[NH+]2CCOCC2)cn1 ZINC000847139866 582223863 /nfs/dbraw/zinc/22/38/63/582223863.db2.gz MJCIZHKXDWHEKG-RYUDHWBXSA-N 1 2 298.343 -1.737 20 0 CAADLO O=CN1CCC[C@H]1C(=O)N[C@@H](CO)C[NH+]1CCOCC1 ZINC000847141999 582223872 /nfs/dbraw/zinc/22/38/72/582223872.db2.gz VYCPRPYOXQLZOQ-NEPJUHHUSA-N 1 2 285.344 -1.584 20 0 CAADLO O=C(N[C@@H](CO)C[NH+]1CCOCC1)[C@@H]1CC(=O)N1 ZINC000847139739 582223879 /nfs/dbraw/zinc/22/38/79/582223879.db2.gz LHFRODRZZQTXKN-BDAKNGLRSA-N 1 2 257.290 -2.316 20 0 CAADLO O=C(N[C@@H](CO)C[NH+]1CCOCC1)[C@@H]1CSC(=O)N1 ZINC000847138787 582223888 /nfs/dbraw/zinc/22/38/88/582223888.db2.gz IMNITMHETBVNBP-BDAKNGLRSA-N 1 2 289.357 -1.379 20 0 CAADLO CC1=NO[C@H](C(=O)N[C@@H](CO)C[NH+]2CCOCC2)C1 ZINC000847140532 582223897 /nfs/dbraw/zinc/22/38/97/582223897.db2.gz PWTIDLFHKRBNRW-MNOVXSKESA-N 1 2 271.317 -1.040 20 0 CAADLO C=CC(=O)NCCC(=O)N[C@@H](CO)C[NH+]1CCOCC1 ZINC000847139418 582223904 /nfs/dbraw/zinc/22/39/04/582223904.db2.gz KFBHZTFBXXZUDD-LLVKDONJSA-N 1 2 285.344 -1.512 20 0 CAADLO O=C(N[C@H](CO)C[NH+]1CCOCC1)[C@H]1CC(=O)N1 ZINC000847139741 582223908 /nfs/dbraw/zinc/22/39/08/582223908.db2.gz LHFRODRZZQTXKN-DTWKUNHWSA-N 1 2 257.290 -2.316 20 0 CAADLO Cn1cc(C(=O)N[C@H](CO)C[NH+]2CCOCC2)[nH]c1=O ZINC000847138784 582223923 /nfs/dbraw/zinc/22/39/23/582223923.db2.gz ILSAXBQWRWLHCJ-VIFPVBQESA-N 1 2 284.316 -1.451 20 0 CAADLO CCOC(=O)CC(=O)N[C@@H](CO)C[NH+]1CCOCC1 ZINC000847139372 582223932 /nfs/dbraw/zinc/22/39/32/582223932.db2.gz JLLCLOBMXIMWBY-SNVBAGLBSA-N 1 2 274.317 -1.251 20 0 CAADLO CC1=NO[C@@H](C(=O)N[C@H](CO)C[NH+]2CCOCC2)C1 ZINC000847140536 582223937 /nfs/dbraw/zinc/22/39/37/582223937.db2.gz PWTIDLFHKRBNRW-WDEREUQCSA-N 1 2 271.317 -1.040 20 0 CAADLO C[C@@H]1OC(=O)N[C@@H]1C(=O)N[C@@H](CO)C[NH+]1CCOCC1 ZINC000847142204 582223941 /nfs/dbraw/zinc/22/39/41/582223941.db2.gz XFFYDFUXXBVTHH-AEJSXWLSSA-N 1 2 287.316 -1.707 20 0 CAADLO O=C(N[C@H](CO)C[NH+]1CCOCC1)[C@@H]1COC(=O)N1 ZINC000847140512 582223964 /nfs/dbraw/zinc/22/39/64/582223964.db2.gz PMWYTASFFBGLGK-IUCAKERBSA-N 1 2 273.289 -2.096 20 0 CAADLO O=C(N[C@H](CO)C[NH+]1CCOCC1)[C@@H]1CSC(=O)N1 ZINC000847138884 582223986 /nfs/dbraw/zinc/22/39/86/582223986.db2.gz IMNITMHETBVNBP-IUCAKERBSA-N 1 2 289.357 -1.379 20 0 CAADLO C[C@@H]1OC(=O)N[C@H]1C(=O)N[C@@H](CO)C[NH+]1CCOCC1 ZINC000847142206 582224010 /nfs/dbraw/zinc/22/40/10/582224010.db2.gz XFFYDFUXXBVTHH-IVZWLZJFSA-N 1 2 287.316 -1.707 20 0 CAADLO O=C(C[C@@H]1CCC(=O)N1)N[C@@H](CO)C[NH+]1CCOCC1 ZINC000847139821 582224019 /nfs/dbraw/zinc/22/40/19/582224019.db2.gz LSEDBTAQUYRHPC-WDEREUQCSA-N 1 2 285.344 -1.536 20 0 CAADLO CC[C@@H](CO)C(=O)N[C@@H](CO)C[NH+]1CCOCC1 ZINC000847142244 582224104 /nfs/dbraw/zinc/22/41/04/582224104.db2.gz YAALERMJLYMKTH-WDEREUQCSA-N 1 2 260.334 -1.186 20 0 CAADLO O=C(N[C@H](CO)C[NH+]1CCOCC1)[C@@H](O)C1CC1 ZINC000847142259 582224106 /nfs/dbraw/zinc/22/41/06/582224106.db2.gz YCBVLASLGHGOFX-QWRGUYRKSA-N 1 2 258.318 -1.433 20 0 CAADLO CC[C@H](CO)C(=O)N[C@H](CO)C[NH+]1CCOCC1 ZINC000847142242 582224149 /nfs/dbraw/zinc/22/41/49/582224149.db2.gz YAALERMJLYMKTH-MNOVXSKESA-N 1 2 260.334 -1.186 20 0 CAADLO O=C(N[C@@H](CO)C[NH+]1CCOCC1)[C@@H](O)C1CC1 ZINC000847142257 582224157 /nfs/dbraw/zinc/22/41/57/582224157.db2.gz YCBVLASLGHGOFX-MNOVXSKESA-N 1 2 258.318 -1.433 20 0 CAADLO CCONC(=O)CNC(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000847389248 582224440 /nfs/dbraw/zinc/22/44/40/582224440.db2.gz PLCFNWNCTJWMLG-VHSXEESVSA-N 1 2 286.332 -1.486 20 0 CAADLO CCONC(=O)CNC(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000847389248 582224442 /nfs/dbraw/zinc/22/44/42/582224442.db2.gz PLCFNWNCTJWMLG-VHSXEESVSA-N 1 2 286.332 -1.486 20 0 CAADLO Cc1nn(CC(=O)OCC[NH+]2CCOCC2)c(=O)n1C ZINC000848845149 582227067 /nfs/dbraw/zinc/22/70/67/582227067.db2.gz QUZPWBIUJGXYFX-UHFFFAOYSA-N 1 2 284.316 -1.234 20 0 CAADLO O=C1C[C@H]([N@@H+]2CC[C@H](N3CCOC3=O)C2)C(=O)N1 ZINC000849181082 582227407 /nfs/dbraw/zinc/22/74/07/582227407.db2.gz HIVDKLAOCCAJQG-YUMQZZPRSA-N 1 2 253.258 -1.072 20 0 CAADLO O=C1C[C@H]([N@H+]2CC[C@H](N3CCOC3=O)C2)C(=O)N1 ZINC000849181082 582227409 /nfs/dbraw/zinc/22/74/09/582227409.db2.gz HIVDKLAOCCAJQG-YUMQZZPRSA-N 1 2 253.258 -1.072 20 0 CAADLO CN(CC1C[NH+](C)C1)S(=O)(=O)CCS(C)(=O)=O ZINC000849447566 582227854 /nfs/dbraw/zinc/22/78/54/582227854.db2.gz RDHKABKIAVELMN-UHFFFAOYSA-N 1 2 284.403 -1.146 20 0 CAADLO NC(=O)[C@@](O)(C[N@@H+]1CCNC(=O)C1)c1ccccc1 ZINC000851712286 582229505 /nfs/dbraw/zinc/22/95/05/582229505.db2.gz MYGPIAKQGHMHCW-CYBMUJFWSA-N 1 2 263.297 -1.209 20 0 CAADLO NC(=O)[C@@](O)(C[N@H+]1CCNC(=O)C1)c1ccccc1 ZINC000851712286 582229507 /nfs/dbraw/zinc/22/95/07/582229507.db2.gz MYGPIAKQGHMHCW-CYBMUJFWSA-N 1 2 263.297 -1.209 20 0 CAADLO C[N@H+](CC(N)=O)C[C@](O)(C(N)=O)c1ccccc1 ZINC000851726181 582229550 /nfs/dbraw/zinc/22/95/50/582229550.db2.gz MMCOZCHGBAPYQF-GFCCVEGCSA-N 1 2 251.286 -1.223 20 0 CAADLO C[N@@H+](CC(N)=O)C[C@](O)(C(N)=O)c1ccccc1 ZINC000851726181 582229552 /nfs/dbraw/zinc/22/95/52/582229552.db2.gz MMCOZCHGBAPYQF-GFCCVEGCSA-N 1 2 251.286 -1.223 20 0 CAADLO O=C1NC[C@H]2C[N@H+](C[C@H](O)c3ccccn3)CCN2C1=O ZINC000851812088 582229709 /nfs/dbraw/zinc/22/97/09/582229709.db2.gz FPXHVDVQUFZCLD-JQWIXIFHSA-N 1 2 290.323 -1.242 20 0 CAADLO O=C1NC[C@H]2C[N@@H+](C[C@H](O)c3ccccn3)CCN2C1=O ZINC000851812088 582229710 /nfs/dbraw/zinc/22/97/10/582229710.db2.gz FPXHVDVQUFZCLD-JQWIXIFHSA-N 1 2 290.323 -1.242 20 0 CAADLO NS(=O)(=O)N1CC[NH+](C[C@@H]2CCC(=O)O2)CC1 ZINC000851766591 582229782 /nfs/dbraw/zinc/22/97/82/582229782.db2.gz HPQAZNUWXOOOGX-QMMMGPOBSA-N 1 2 263.319 -1.487 20 0 CAADLO COC[C@@H](C(N)=O)[N@H+](C)C[C@@](O)(C(N)=O)c1ccccc1 ZINC000852089029 582229948 /nfs/dbraw/zinc/22/99/48/582229948.db2.gz BSDWLFTWMBGWKJ-FZMZJTMJSA-N 1 2 295.339 -1.208 20 0 CAADLO COC[C@@H](C(N)=O)[N@@H+](C)C[C@@](O)(C(N)=O)c1ccccc1 ZINC000852089029 582229950 /nfs/dbraw/zinc/22/99/50/582229950.db2.gz BSDWLFTWMBGWKJ-FZMZJTMJSA-N 1 2 295.339 -1.208 20 0 CAADLO CC1(C)OC[C@H](C[N@@H+]2CCN3C(=O)C(=O)NC[C@H]3C2)O1 ZINC000851814146 582229992 /nfs/dbraw/zinc/22/99/92/582229992.db2.gz YGBRBAIGAFTONF-UWVGGRQHSA-N 1 2 283.328 -1.220 20 0 CAADLO CC1(C)OC[C@H](C[N@H+]2CCN3C(=O)C(=O)NC[C@H]3C2)O1 ZINC000851814146 582229993 /nfs/dbraw/zinc/22/99/93/582229993.db2.gz YGBRBAIGAFTONF-UWVGGRQHSA-N 1 2 283.328 -1.220 20 0 CAADLO CC1(C)OC[C@H](C[N@@H+]2CCN3C(=O)C(=O)NC[C@@H]3C2)O1 ZINC000851814148 582230003 /nfs/dbraw/zinc/23/00/03/582230003.db2.gz YGBRBAIGAFTONF-ZJUUUORDSA-N 1 2 283.328 -1.220 20 0 CAADLO CC1(C)OC[C@H](C[N@H+]2CCN3C(=O)C(=O)NC[C@@H]3C2)O1 ZINC000851814148 582230004 /nfs/dbraw/zinc/23/00/04/582230004.db2.gz YGBRBAIGAFTONF-ZJUUUORDSA-N 1 2 283.328 -1.220 20 0 CAADLO CC(C)(C)OC(=O)NCC[N@@H+](CC(N)=O)C[C@@H](O)CO ZINC000852179211 582230244 /nfs/dbraw/zinc/23/02/44/582230244.db2.gz CMTBUWPPXDDRRP-SECBINFHSA-N 1 2 291.348 -1.348 20 0 CAADLO CC(C)(C)OC(=O)NCC[N@H+](CC(N)=O)C[C@@H](O)CO ZINC000852179211 582230246 /nfs/dbraw/zinc/23/02/46/582230246.db2.gz CMTBUWPPXDDRRP-SECBINFHSA-N 1 2 291.348 -1.348 20 0 CAADLO O=C(C[N@@H+]1CC[C@@H](N2CCOC2=O)C1)N1CCNC(=O)C1 ZINC000852431804 582230315 /nfs/dbraw/zinc/23/03/15/582230315.db2.gz UPBXXJDIPMRQRT-SNVBAGLBSA-N 1 2 296.327 -1.529 20 0 CAADLO O=C(C[N@H+]1CC[C@@H](N2CCOC2=O)C1)N1CCNC(=O)C1 ZINC000852431804 582230316 /nfs/dbraw/zinc/23/03/16/582230316.db2.gz UPBXXJDIPMRQRT-SNVBAGLBSA-N 1 2 296.327 -1.529 20 0 CAADLO NC(=O)NC(=O)C[N@@H+]1CC[C@@H](N2CCOC2=O)C1 ZINC000852430070 582230320 /nfs/dbraw/zinc/23/03/20/582230320.db2.gz DVNMEDXIHVTNPM-SSDOTTSWSA-N 1 2 256.262 -1.292 20 0 CAADLO NC(=O)NC(=O)C[N@H+]1CC[C@@H](N2CCOC2=O)C1 ZINC000852430070 582230321 /nfs/dbraw/zinc/23/03/21/582230321.db2.gz DVNMEDXIHVTNPM-SSDOTTSWSA-N 1 2 256.262 -1.292 20 0 CAADLO COC(=O)CNC(=O)C[N@@H+]1CC[C@@H](N2CCOC2=O)C1 ZINC000852432771 582230380 /nfs/dbraw/zinc/23/03/80/582230380.db2.gz PXOQDMHNFLMRAQ-SECBINFHSA-N 1 2 285.300 -1.198 20 0 CAADLO COC(=O)CNC(=O)C[N@H+]1CC[C@@H](N2CCOC2=O)C1 ZINC000852432771 582230382 /nfs/dbraw/zinc/23/03/82/582230382.db2.gz PXOQDMHNFLMRAQ-SECBINFHSA-N 1 2 285.300 -1.198 20 0 CAADLO COC(=O)N(C)CC[N@H+](C)CC(=O)N1CCNC(=O)C1 ZINC000852571742 582230408 /nfs/dbraw/zinc/23/04/08/582230408.db2.gz CQOHHBUXSCWCNY-UHFFFAOYSA-N 1 2 286.332 -1.425 20 0 CAADLO COC(=O)N(C)CC[N@@H+](C)CC(=O)N1CCNC(=O)C1 ZINC000852571742 582230409 /nfs/dbraw/zinc/23/04/09/582230409.db2.gz CQOHHBUXSCWCNY-UHFFFAOYSA-N 1 2 286.332 -1.425 20 0 CAADLO O=C(CN1CC[NH2+]CC1=O)N1CC[C@H](N2CCOC2=O)C1 ZINC000852903669 582232468 /nfs/dbraw/zinc/23/24/68/582232468.db2.gz GLGXASYGIGNUNK-JTQLQIEISA-N 1 2 296.327 -1.529 20 0 CAADLO COC(=O)NC1CCN(C(=O)CN2CC[NH2+]CC2=O)CC1 ZINC000852924166 582232690 /nfs/dbraw/zinc/23/26/90/582232690.db2.gz HXPQTNJEWMNAHX-UHFFFAOYSA-N 1 2 298.343 -1.235 20 0 CAADLO C[C@H]1C[N@H+](CCNC(=O)N[C@H]2CCNC2=O)CCO1 ZINC000853606390 582233366 /nfs/dbraw/zinc/23/33/66/582233366.db2.gz QGUALUIKSIJCSZ-UWVGGRQHSA-N 1 2 270.333 -1.105 20 0 CAADLO C[C@H]1C[N@@H+](CCNC(=O)N[C@H]2CCNC2=O)CCO1 ZINC000853606390 582233367 /nfs/dbraw/zinc/23/33/67/582233367.db2.gz QGUALUIKSIJCSZ-UWVGGRQHSA-N 1 2 270.333 -1.105 20 0 CAADLO C[NH+](C)C[C@@H](CO)NC(=O)Cn1[nH]cc2c(=O)ncnc1-2 ZINC000854466571 582234292 /nfs/dbraw/zinc/23/42/92/582234292.db2.gz GFYOVMCWTHFZDU-QMMMGPOBSA-N 1 2 294.315 -1.890 20 0 CAADLO C[NH+](C)CCO[N-]C(=O)C[N@H+](C)[C@@H]1CCS(=O)(=O)C1 ZINC000854945243 582237004 /nfs/dbraw/zinc/23/70/04/582237004.db2.gz LFXRVITVYLJEIP-SNVBAGLBSA-N 1 2 293.389 -1.285 20 0 CAADLO C[NH+](C)CCO[N-]C(=O)C[N@@H+](C)[C@@H]1CCS(=O)(=O)C1 ZINC000854945243 582237005 /nfs/dbraw/zinc/23/70/05/582237005.db2.gz LFXRVITVYLJEIP-SNVBAGLBSA-N 1 2 293.389 -1.285 20 0 CAADLO CN(CC(=O)NOCC[NH+](C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000854945243 582237006 /nfs/dbraw/zinc/23/70/06/582237006.db2.gz LFXRVITVYLJEIP-SNVBAGLBSA-N 1 2 293.389 -1.285 20 0 CAADLO C[NH+](C)CCONC(=O)CN1CCS(=O)(=O)CC1 ZINC000854947448 582237114 /nfs/dbraw/zinc/23/71/14/582237114.db2.gz WSRJTDFRLPXCRR-UHFFFAOYSA-N 1 2 279.362 -1.674 20 0 CAADLO CNS(=O)(=O)CC[N@@H+]1CCN2C(=O)OC[C@H]2C1 ZINC000856727598 582238360 /nfs/dbraw/zinc/23/83/60/582238360.db2.gz AHZGBYNWMCYBKV-MRVPVSSYSA-N 1 2 263.319 -1.328 20 0 CAADLO CNS(=O)(=O)CC[N@H+]1CCN2C(=O)OC[C@H]2C1 ZINC000856727598 582238361 /nfs/dbraw/zinc/23/83/61/582238361.db2.gz AHZGBYNWMCYBKV-MRVPVSSYSA-N 1 2 263.319 -1.328 20 0 CAADLO CNS(=O)(=O)CC[N@@H+]1CCN2C(=O)OC[C@@H]2C1 ZINC000856727599 582238437 /nfs/dbraw/zinc/23/84/37/582238437.db2.gz AHZGBYNWMCYBKV-QMMMGPOBSA-N 1 2 263.319 -1.328 20 0 CAADLO CNS(=O)(=O)CC[N@H+]1CCN2C(=O)OC[C@@H]2C1 ZINC000856727599 582238438 /nfs/dbraw/zinc/23/84/38/582238438.db2.gz AHZGBYNWMCYBKV-QMMMGPOBSA-N 1 2 263.319 -1.328 20 0 CAADLO CN(C)S(=O)(=O)N1CCC[N@H+](CN2CCC2=O)CC1 ZINC000857235646 582238910 /nfs/dbraw/zinc/23/89/10/582238910.db2.gz BIJORHMZCHCESD-UHFFFAOYSA-N 1 2 290.389 -1.010 20 0 CAADLO CN(C)S(=O)(=O)N1CCC[N@@H+](CN2CCC2=O)CC1 ZINC000857235646 582238912 /nfs/dbraw/zinc/23/89/12/582238912.db2.gz BIJORHMZCHCESD-UHFFFAOYSA-N 1 2 290.389 -1.010 20 0 CAADLO COC(=O)CN(CC[NH+]1CCOCC1)C[C@@H](O)[C@H](C)O ZINC000857706518 582239313 /nfs/dbraw/zinc/23/93/13/582239313.db2.gz XSHSSENTSVBPQT-NWDGAFQWSA-N 1 2 290.360 -1.465 20 0 CAADLO O=C(NCC[NH+]1CCOCC1)[C@@H]1CCOC(=O)N1 ZINC000858117895 582239494 /nfs/dbraw/zinc/23/94/94/582239494.db2.gz GATIAHHALMVIHZ-VIFPVBQESA-N 1 2 257.290 -1.067 20 0 CAADLO O=C([C@H]1CCOC(=O)N1)N1CC[NH+](CCO)CC1 ZINC000858390346 582239929 /nfs/dbraw/zinc/23/99/29/582239929.db2.gz ZSOGWWVOUZSKBL-SECBINFHSA-N 1 2 257.290 -1.379 20 0 CAADLO C=CC(=O)N(C)CC(=O)NCC[NH+]1CCN(C(C)=O)CC1 ZINC000858484434 582240201 /nfs/dbraw/zinc/24/02/01/582240201.db2.gz QZXLFRXMDAYWKL-UHFFFAOYSA-N 1 2 296.371 -1.089 20 0 CAADLO Cn1ncc(CNC(=O)NC[C@H]2COCC[N@@H+]2C)n1 ZINC000858456243 582240245 /nfs/dbraw/zinc/24/02/45/582240245.db2.gz DBGJZLCNQPVUCY-JTQLQIEISA-N 1 2 268.321 -1.055 20 0 CAADLO Cn1ncc(CNC(=O)NC[C@H]2COCC[N@H+]2C)n1 ZINC000858456243 582240246 /nfs/dbraw/zinc/24/02/46/582240246.db2.gz DBGJZLCNQPVUCY-JTQLQIEISA-N 1 2 268.321 -1.055 20 0 CAADLO COC[C@@H](O)CNC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000858838331 582240521 /nfs/dbraw/zinc/24/05/21/582240521.db2.gz FCHDHOKCAUEQGK-ZJUUUORDSA-N 1 2 261.322 -1.377 20 0 CAADLO COC[C@@H](O)CNC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000858838331 582240523 /nfs/dbraw/zinc/24/05/23/582240523.db2.gz FCHDHOKCAUEQGK-ZJUUUORDSA-N 1 2 261.322 -1.377 20 0 CAADLO CC(C)[C@H](NC=O)C(=O)N1CCC[N@H+](CC(N)=O)CC1 ZINC000859191151 582240757 /nfs/dbraw/zinc/24/07/57/582240757.db2.gz FUXYTIKUYOBTTK-LBPRGKRZSA-N 1 2 284.360 -1.223 20 0 CAADLO CC(C)[C@H](NC=O)C(=O)N1CCC[N@@H+](CC(N)=O)CC1 ZINC000859191151 582240759 /nfs/dbraw/zinc/24/07/59/582240759.db2.gz FUXYTIKUYOBTTK-LBPRGKRZSA-N 1 2 284.360 -1.223 20 0 CAADLO O=C1CC[C@H]([NH+]2CCN(c3nccnn3)CC2)C(=O)N1 ZINC000859410122 582241119 /nfs/dbraw/zinc/24/11/19/582241119.db2.gz YJPIRUOIBHMNSG-VIFPVBQESA-N 1 2 276.300 -1.201 20 0 CAADLO CCOC(=O)C1=C(C[NH+]2C[C@H](O)[C@@H](O)C2)NC(=O)N[C@@H]1C ZINC000859451171 582241322 /nfs/dbraw/zinc/24/13/22/582241322.db2.gz PSAYLAFOCCEYAL-JEZHCXPESA-N 1 2 299.327 -1.458 20 0 CAADLO CC(C)(C(N)=O)[NH+]1CCN(C(=O)[C@H]2CCOC(=O)N2)CC1 ZINC000859723296 582241830 /nfs/dbraw/zinc/24/18/30/582241830.db2.gz ANKYVFBXLSGWBY-SECBINFHSA-N 1 2 298.343 -1.107 20 0 CAADLO C=CC(=O)N(C)CC(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000859944010 582242052 /nfs/dbraw/zinc/24/20/52/582242052.db2.gz PBPFFKNPOYBGNU-GFCCVEGCSA-N 1 2 299.371 -1.218 20 0 CAADLO CC(C)[C@H](NC=O)C(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000860311528 582242572 /nfs/dbraw/zinc/24/25/72/582242572.db2.gz WLQXDGZADIWEKN-NEPJUHHUSA-N 1 2 268.361 -1.127 20 0 CAADLO O=C(N[C@@H](CO)C[NH+]1CCOCC1)[C@H]1CCOC(=O)N1 ZINC000861518260 582243854 /nfs/dbraw/zinc/24/38/54/582243854.db2.gz WIAUYXNSWOURBN-NXEZZACHSA-N 1 2 287.316 -1.706 20 0 CAADLO C[C@H](C(=O)N[C@@H](CO)C[NH+]1CCOCC1)[C@@H]1CCC(=O)N1 ZINC000861518162 582243994 /nfs/dbraw/zinc/24/39/94/582243994.db2.gz SRKYROJTJYKNEB-TUAOUCFPSA-N 1 2 299.371 -1.290 20 0 CAADLO CC(C)[C@H](NC=O)C(=O)N[C@H](CO)C[NH+]1CCOCC1 ZINC000861518268 582244005 /nfs/dbraw/zinc/24/40/05/582244005.db2.gz WLTCQXPJZYMIJM-RYUDHWBXSA-N 1 2 287.360 -1.434 20 0 CAADLO C[N@@H+]1CCC[C@H]1C(=O)NN1CCS(=O)(=O)CC1 ZINC000862735956 582247375 /nfs/dbraw/zinc/24/73/75/582247375.db2.gz SGVRCOODKDWQHM-VIFPVBQESA-N 1 2 261.347 -1.158 20 0 CAADLO C[N@H+]1CCC[C@H]1C(=O)NN1CCS(=O)(=O)CC1 ZINC000862735956 582247376 /nfs/dbraw/zinc/24/73/76/582247376.db2.gz SGVRCOODKDWQHM-VIFPVBQESA-N 1 2 261.347 -1.158 20 0 CAADLO Cn1cc(C(=O)NC[C@@H]2COCC[N@@H+]2C)c(=O)n(C)c1=O ZINC000862971455 582247894 /nfs/dbraw/zinc/24/78/94/582247894.db2.gz SPNRJQKFHQTFGT-SECBINFHSA-N 1 2 296.327 -1.856 20 0 CAADLO Cn1cc(C(=O)NC[C@@H]2COCC[N@H+]2C)c(=O)n(C)c1=O ZINC000862971455 582247895 /nfs/dbraw/zinc/24/78/95/582247895.db2.gz SPNRJQKFHQTFGT-SECBINFHSA-N 1 2 296.327 -1.856 20 0 CAADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)C[C@@H]1SC(=N)NC1=O ZINC000862973907 582247947 /nfs/dbraw/zinc/24/79/47/582247947.db2.gz WVFLNWGEXJKUFQ-YUMQZZPRSA-N 1 2 286.357 -1.010 20 0 CAADLO C[N@H+]1CCOC[C@@H]1CNC(=O)C[C@@H]1SC(=N)NC1=O ZINC000862973907 582247949 /nfs/dbraw/zinc/24/79/49/582247949.db2.gz WVFLNWGEXJKUFQ-YUMQZZPRSA-N 1 2 286.357 -1.010 20 0 CAADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)C[C@H]1SC(=N)NC1=O ZINC000862973905 582248000 /nfs/dbraw/zinc/24/80/00/582248000.db2.gz WVFLNWGEXJKUFQ-JGVFFNPUSA-N 1 2 286.357 -1.010 20 0 CAADLO C[N@H+]1CCOC[C@@H]1CNC(=O)C[C@H]1SC(=N)NC1=O ZINC000862973905 582248002 /nfs/dbraw/zinc/24/80/02/582248002.db2.gz WVFLNWGEXJKUFQ-JGVFFNPUSA-N 1 2 286.357 -1.010 20 0 CAADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)C1=NN(CCO)C(=O)CC1 ZINC000862970723 582248014 /nfs/dbraw/zinc/24/80/14/582248014.db2.gz MGQMHNMHCNWTGE-JTQLQIEISA-N 1 2 298.343 -1.596 20 0 CAADLO C[N@H+]1CCOC[C@@H]1CNC(=O)C1=NN(CCO)C(=O)CC1 ZINC000862970723 582248015 /nfs/dbraw/zinc/24/80/15/582248015.db2.gz MGQMHNMHCNWTGE-JTQLQIEISA-N 1 2 298.343 -1.596 20 0 CAADLO C[N@@H+]1CCN(C(=O)[C@@H]2CCS(=O)(=O)N2)C[C@@H]1CO ZINC000864077957 582251365 /nfs/dbraw/zinc/25/13/65/582251365.db2.gz KCGSODYYNORAGY-BDAKNGLRSA-N 1 2 277.346 -2.187 20 0 CAADLO C[N@H+]1CCN(C(=O)[C@@H]2CCS(=O)(=O)N2)C[C@@H]1CO ZINC000864077957 582251366 /nfs/dbraw/zinc/25/13/66/582251366.db2.gz KCGSODYYNORAGY-BDAKNGLRSA-N 1 2 277.346 -2.187 20 0 CAADLO CN1CCO[C@@H](C(=O)N2CC[N@H+](C)[C@@H](CO)C2)C1=O ZINC000864078016 582251369 /nfs/dbraw/zinc/25/13/69/582251369.db2.gz KNKTXUDBTTXKOR-NXEZZACHSA-N 1 2 271.317 -2.022 20 0 CAADLO CN1CCO[C@@H](C(=O)N2CC[N@@H+](C)[C@@H](CO)C2)C1=O ZINC000864078016 582251371 /nfs/dbraw/zinc/25/13/71/582251371.db2.gz KNKTXUDBTTXKOR-NXEZZACHSA-N 1 2 271.317 -2.022 20 0 CAADLO CN(C)S(=O)(=O)N1CC(NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC000864077116 582251427 /nfs/dbraw/zinc/25/14/27/582251427.db2.gz KMXYMDUBKWYMLY-UHFFFAOYSA-N 1 2 287.345 -1.441 20 0 CAADLO CN(C)S(=O)(=O)N1CC(NC(=O)Cc2c[nH+]c[nH]2)C1 ZINC000864077116 582251428 /nfs/dbraw/zinc/25/14/28/582251428.db2.gz KMXYMDUBKWYMLY-UHFFFAOYSA-N 1 2 287.345 -1.441 20 0 CAADLO C[N@@H+]1CCN(C(=O)CC2C(=O)N=CNC2=O)C[C@H]1CO ZINC000864079153 582251542 /nfs/dbraw/zinc/25/15/42/582251542.db2.gz UJLCVYYHGAXACL-QMMMGPOBSA-N 1 2 282.300 -1.435 20 0 CAADLO C[N@H+]1CCN(C(=O)CC2C(=O)N=CNC2=O)C[C@H]1CO ZINC000864079153 582251543 /nfs/dbraw/zinc/25/15/43/582251543.db2.gz UJLCVYYHGAXACL-QMMMGPOBSA-N 1 2 282.300 -1.435 20 0 CAADLO CN(C(=O)[C@]1(C)C[C@H](O)C[N@@H+]1C)C1CS(=O)(=O)C1 ZINC000864080506 582251807 /nfs/dbraw/zinc/25/18/07/582251807.db2.gz GQCQSEFHAZUDGD-ONGXEEELSA-N 1 2 276.358 -1.303 20 0 CAADLO CN(C(=O)[C@]1(C)C[C@H](O)C[N@H+]1C)C1CS(=O)(=O)C1 ZINC000864080506 582251808 /nfs/dbraw/zinc/25/18/08/582251808.db2.gz GQCQSEFHAZUDGD-ONGXEEELSA-N 1 2 276.358 -1.303 20 0 CAADLO O=C(/C=C\C[NH+]1CCOCC1)N1CCNC(=O)C1 ZINC000864498750 582252449 /nfs/dbraw/zinc/25/24/49/582252449.db2.gz WJSYRSPZKOIQCE-UPHRSURJSA-N 1 2 253.302 -1.167 20 0 CAADLO COC(=O)C1(O)CN(C(=O)NCCn2cc[nH+]c2)C1 ZINC000864425525 582252499 /nfs/dbraw/zinc/25/24/99/582252499.db2.gz JAYZWWJELFQKFI-UHFFFAOYSA-N 1 2 268.273 -1.188 20 0 CAADLO C[NH+](C)CC(=O)N1CCN(C(=O)[C@@H](O)c2c[nH]cn2)CC1 ZINC000864838135 582252594 /nfs/dbraw/zinc/25/25/94/582252594.db2.gz XIVITDLVTJGYTJ-LBPRGKRZSA-N 1 2 295.343 -1.325 20 0 CAADLO CS(=O)(=O)NCCNC(=O)/C=C/C[NH+]1CCOCC1 ZINC000864716874 582252601 /nfs/dbraw/zinc/25/26/01/582252601.db2.gz QLOQGGTZFPRYDU-NSCUHMNNSA-N 1 2 291.373 -1.460 20 0 CAADLO COCCNC(=O)CNC(=O)/C=C\C[NH+]1CCOCC1 ZINC000864643323 582252679 /nfs/dbraw/zinc/25/26/79/582252679.db2.gz DKJFMDRKRPNNBW-IHWYPQMZSA-N 1 2 285.344 -1.246 20 0 CAADLO NC(=O)CN1CCN(C(=O)/C=C\C[NH+]2CCOCC2)CC1 ZINC000865024918 582252858 /nfs/dbraw/zinc/25/28/58/582252858.db2.gz AAESLMCCTKAJEY-UPHRSURJSA-N 1 2 296.371 -1.496 20 0 CAADLO NC(=O)[C@@H]1CN(C(=O)/C=C\C[NH+]2CCOCC2)CCO1 ZINC000865065463 582252860 /nfs/dbraw/zinc/25/28/60/582252860.db2.gz NRWRIWSZACACNE-BVBSBALXSA-N 1 2 283.328 -1.413 20 0 CAADLO C[N@@H+]1CCO[C@H](CS(=O)(=O)N[C@H]2CCOC2=O)C1 ZINC000866393865 582253820 /nfs/dbraw/zinc/25/38/20/582253820.db2.gz MAOOBBULVLKPNS-IUCAKERBSA-N 1 2 278.330 -1.448 20 0 CAADLO C[N@H+]1CCO[C@H](CS(=O)(=O)N[C@H]2CCOC2=O)C1 ZINC000866393865 582253822 /nfs/dbraw/zinc/25/38/22/582253822.db2.gz MAOOBBULVLKPNS-IUCAKERBSA-N 1 2 278.330 -1.448 20 0 CAADLO C[N@@H+]1CCO[C@@H](CS(=O)(=O)N2CCCNC(=O)C2)C1 ZINC000866713818 582253953 /nfs/dbraw/zinc/25/39/53/582253953.db2.gz YEOUWOYKLGEFII-SNVBAGLBSA-N 1 2 291.373 -1.531 20 0 CAADLO C[N@H+]1CCO[C@@H](CS(=O)(=O)N2CCCNC(=O)C2)C1 ZINC000866713818 582253955 /nfs/dbraw/zinc/25/39/55/582253955.db2.gz YEOUWOYKLGEFII-SNVBAGLBSA-N 1 2 291.373 -1.531 20 0 CAADLO O=C(/C=C/C[NH+]1CCOCC1)NCCn1ncnn1 ZINC000866605406 582253970 /nfs/dbraw/zinc/25/39/70/582253970.db2.gz ODQLCUPPKRICBF-OWOJBTEDSA-N 1 2 266.305 -1.322 20 0 CAADLO C[N@@H+]1CCO[C@@H](CS(=O)(=O)NC[C@@H]2COCCO2)C1 ZINC000866559398 582253982 /nfs/dbraw/zinc/25/39/82/582253982.db2.gz HDIJWUDHHZAQSR-GHMZBOCLSA-N 1 2 294.373 -1.348 20 0 CAADLO C[N@H+]1CCO[C@@H](CS(=O)(=O)NC[C@@H]2COCCO2)C1 ZINC000866559398 582253984 /nfs/dbraw/zinc/25/39/84/582253984.db2.gz HDIJWUDHHZAQSR-GHMZBOCLSA-N 1 2 294.373 -1.348 20 0 CAADLO O=C(/C=C\C[NH+]1CCOCC1)NCCn1cnnn1 ZINC000866604614 582254017 /nfs/dbraw/zinc/25/40/17/582254017.db2.gz NDADWPLPDJDRPJ-UPHRSURJSA-N 1 2 266.305 -1.322 20 0 CAADLO CC[S@](C)(=O)=NS(=O)(=O)NC[C@@H]1COCC[NH2+]1 ZINC000866779129 582254352 /nfs/dbraw/zinc/25/43/52/582254352.db2.gz IMUZKYMELFADDV-BCTVWOGZSA-N 1 2 285.391 -1.073 20 0 CAADLO CC[S@@](C)(=O)=NS(=O)(=O)NC[C@H]1COCC[NH2+]1 ZINC000866779133 582254399 /nfs/dbraw/zinc/25/43/99/582254399.db2.gz IMUZKYMELFADDV-ZKANADHPSA-N 1 2 285.391 -1.073 20 0 CAADLO CC(=O)OCCCS(=O)(=O)N1CC[N@@H+](C)C[C@@H]1CO ZINC000867538494 582254592 /nfs/dbraw/zinc/25/45/92/582254592.db2.gz MNOZVTBMOHHZRX-LLVKDONJSA-N 1 2 294.373 -1.122 20 0 CAADLO CC(=O)OCCCS(=O)(=O)N1CC[N@H+](C)C[C@@H]1CO ZINC000867538494 582254593 /nfs/dbraw/zinc/25/45/93/582254593.db2.gz MNOZVTBMOHHZRX-LLVKDONJSA-N 1 2 294.373 -1.122 20 0 CAADLO CNS(=O)(=O)CCNC(=O)/C=C\C[NH+]1CCOCC1 ZINC000867669954 582254724 /nfs/dbraw/zinc/25/47/24/582254724.db2.gz QTPZWFWQYDXWIS-IHWYPQMZSA-N 1 2 291.373 -1.460 20 0 CAADLO NC(=O)[C@H](O)CNC(=O)[C@H]1CCC[N@H+](CC(F)F)C1 ZINC000867848482 582255017 /nfs/dbraw/zinc/25/50/17/582255017.db2.gz RCOHBKAFSLIPNT-JGVFFNPUSA-N 1 2 279.287 -1.074 20 0 CAADLO NC(=O)[C@H](O)CNC(=O)[C@H]1CCC[N@@H+](CC(F)F)C1 ZINC000867848482 582255018 /nfs/dbraw/zinc/25/50/18/582255018.db2.gz RCOHBKAFSLIPNT-JGVFFNPUSA-N 1 2 279.287 -1.074 20 0 CAADLO NC(=O)[C@@H](O)CNC(=O)[C@@H]1CCC[N@H+](CC(F)F)C1 ZINC000867848483 582255069 /nfs/dbraw/zinc/25/50/69/582255069.db2.gz RCOHBKAFSLIPNT-SFYZADRCSA-N 1 2 279.287 -1.074 20 0 CAADLO NC(=O)[C@@H](O)CNC(=O)[C@@H]1CCC[N@@H+](CC(F)F)C1 ZINC000867848483 582255071 /nfs/dbraw/zinc/25/50/71/582255071.db2.gz RCOHBKAFSLIPNT-SFYZADRCSA-N 1 2 279.287 -1.074 20 0 CAADLO COC[C@H](CO)NC(=O)/C=C\C[NH+]1CCOCC1 ZINC000867924424 582255352 /nfs/dbraw/zinc/25/53/52/582255352.db2.gz WGIFOHCIALESFT-QUCGXOGASA-N 1 2 258.318 -1.002 20 0 CAADLO COC[C@H](CO)NC(=O)/C=C/C[NH+]1CCOCC1 ZINC000867924425 582255371 /nfs/dbraw/zinc/25/53/71/582255371.db2.gz WGIFOHCIALESFT-VUDBWIFFSA-N 1 2 258.318 -1.002 20 0 CAADLO COC[C@@H](CO)NC(=O)/C=C/C[NH+]1CCOCC1 ZINC000867924422 582255378 /nfs/dbraw/zinc/25/53/78/582255378.db2.gz WGIFOHCIALESFT-KXMPLOMGSA-N 1 2 258.318 -1.002 20 0 CAADLO CN1C(=O)C[C@H](NC(=O)/C=C\C[NH+]2CCOCC2)C1=O ZINC000868120508 582255767 /nfs/dbraw/zinc/25/57/67/582255767.db2.gz CHMULOBNONJCNO-ZMWSMAPVSA-N 1 2 281.312 -1.252 20 0 CAADLO CC[C@@]1(C(=O)N[C@H](CO)C[NH+]2CCOCC2)CCNC1=O ZINC000868028999 582255813 /nfs/dbraw/zinc/25/58/13/582255813.db2.gz DDVOEHJROPXELV-SMDDNHRTSA-N 1 2 299.371 -1.288 20 0 CAADLO COC[C@H](O)CNC(=O)/C=C\C[NH+]1CCOCC1 ZINC000868127184 582256037 /nfs/dbraw/zinc/25/60/37/582256037.db2.gz ZKGJYGOZTLXVCF-OTDNITJGSA-N 1 2 258.318 -1.002 20 0 CAADLO COC[C@@H](C(N)=O)N(C)C(=O)/C=C/C[NH+]1CCOCC1 ZINC000868566254 582256460 /nfs/dbraw/zinc/25/64/60/582256460.db2.gz DONXPTYJBLGQQI-UFFNRZRYSA-N 1 2 285.344 -1.167 20 0 CAADLO COC[C@@H](C(N)=O)N(C)C(=O)/C=C\C[NH+]1CCOCC1 ZINC000868566249 582256513 /nfs/dbraw/zinc/25/65/13/582256513.db2.gz DONXPTYJBLGQQI-BYCRGOAPSA-N 1 2 285.344 -1.167 20 0 CAADLO NC(=O)C[C@@H]1COCCN1C(=O)/C=C/C[NH+]1CCOCC1 ZINC000868804602 582256594 /nfs/dbraw/zinc/25/65/94/582256594.db2.gz HCSKGATVBRAQOE-YYRQZUAOSA-N 1 2 297.355 -1.022 20 0 CAADLO O=C(/C=C\C[NH+]1CCOCC1)N1CC(O)(CO)C1 ZINC000868594826 582256611 /nfs/dbraw/zinc/25/66/11/582256611.db2.gz SDTBGOHZTXAUCN-UPHRSURJSA-N 1 2 256.302 -1.560 20 0 CAADLO NC(=O)C[C@H]1COCCN1C(=O)/C=C\C[NH+]1CCOCC1 ZINC000868804588 582256638 /nfs/dbraw/zinc/25/66/38/582256638.db2.gz HCSKGATVBRAQOE-BIOMNHJASA-N 1 2 297.355 -1.022 20 0 CAADLO O=C(/C=C/C[NH+]1CCOCC1)N1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000868717974 582256649 /nfs/dbraw/zinc/25/66/49/582256649.db2.gz WKRDHVNYRWGQOR-SHLGALIJSA-N 1 2 293.323 -1.394 20 0 CAADLO COC(=O)C[C@@H](O)CNC(=O)/C=C/C[NH+]1CCOCC1 ZINC000869448478 582257141 /nfs/dbraw/zinc/25/71/41/582257141.db2.gz JKKPYSBMBBDKHV-KXMPLOMGSA-N 1 2 286.328 -1.085 20 0 CAADLO O=C(/C=C/C[NH+]1CCOCC1)N[C@H]1COC[C@H]1O ZINC000869936436 582257355 /nfs/dbraw/zinc/25/73/55/582257355.db2.gz QVFCLCJQUQGXOD-ATOIVCMTSA-N 1 2 256.302 -1.249 20 0 CAADLO C[C@@H](O)[C@H](O)CNC(=O)C(C)(C)[NH+]1CCOCC1 ZINC000871138141 582258000 /nfs/dbraw/zinc/25/80/00/582258000.db2.gz RXWQMXQQASWSCS-NXEZZACHSA-N 1 2 260.334 -1.045 20 0 CAADLO O=C1C[C@H]([N@@H+]2CCCNC(=O)C2)C(=O)N1CCCO ZINC000871602131 582258661 /nfs/dbraw/zinc/25/86/61/582258661.db2.gz PUPYDTDYGBHCFI-VIFPVBQESA-N 1 2 269.301 -1.682 20 0 CAADLO O=C1C[C@H]([N@H+]2CCCNC(=O)C2)C(=O)N1CCCO ZINC000871602131 582258662 /nfs/dbraw/zinc/25/86/62/582258662.db2.gz PUPYDTDYGBHCFI-VIFPVBQESA-N 1 2 269.301 -1.682 20 0 CAADLO COC(=O)C1(O)C[NH+](C[C@@H](O)Cn2cccn2)C1 ZINC000871991997 582258778 /nfs/dbraw/zinc/25/87/78/582258778.db2.gz QRLDYSSMMAUVPQ-SECBINFHSA-N 1 2 255.274 -1.536 20 0 CAADLO COC(=O)C1(O)C[NH+](C[C@H](O)Cn2cccn2)C1 ZINC000871991998 582258787 /nfs/dbraw/zinc/25/87/87/582258787.db2.gz QRLDYSSMMAUVPQ-VIFPVBQESA-N 1 2 255.274 -1.536 20 0 CAADLO C[NH+]1CCN(C(=O)C(=O)N2CCC(CO)(CO)CC2)CC1 ZINC000873007860 582259618 /nfs/dbraw/zinc/25/96/18/582259618.db2.gz ICJTUSMWFZCYJT-UHFFFAOYSA-N 1 2 299.371 -1.646 20 0 CAADLO C[N@@H+]1CCOC[C@H]1CNC(=O)N1CCCNC(=O)C1 ZINC000873084521 582259682 /nfs/dbraw/zinc/25/96/82/582259682.db2.gz ZHETZNHUYCVWLH-SNVBAGLBSA-N 1 2 270.333 -1.152 20 0 CAADLO C[N@H+]1CCOC[C@H]1CNC(=O)N1CCCNC(=O)C1 ZINC000873084521 582259684 /nfs/dbraw/zinc/25/96/84/582259684.db2.gz ZHETZNHUYCVWLH-SNVBAGLBSA-N 1 2 270.333 -1.152 20 0 CAADLO O=C(C[NH+]1CCCC1)NCCN1CCS(=O)(=O)CC1 ZINC000874186214 582259950 /nfs/dbraw/zinc/25/99/50/582259950.db2.gz BRXXCVABYIUJDU-UHFFFAOYSA-N 1 2 289.401 -1.071 20 0 CAADLO CN(CCS(N)(=O)=O)C(=O)/C=C/C[NH+]1CCOCC1 ZINC000874602082 582260297 /nfs/dbraw/zinc/26/02/97/582260297.db2.gz ZMOPNRUVUYDODO-NSCUHMNNSA-N 1 2 291.373 -1.378 20 0 CAADLO CC[C@H]1COCC[N@@H+]1CCNC(=O)C[C@@H]1NC(=O)NC1=O ZINC000874705032 582260317 /nfs/dbraw/zinc/26/03/17/582260317.db2.gz RJMJZFSMRMZLJV-UWVGGRQHSA-N 1 2 298.343 -1.189 20 0 CAADLO CC[C@H]1COCC[N@H+]1CCNC(=O)C[C@@H]1NC(=O)NC1=O ZINC000874705032 582260318 /nfs/dbraw/zinc/26/03/18/582260318.db2.gz RJMJZFSMRMZLJV-UWVGGRQHSA-N 1 2 298.343 -1.189 20 0 CAADLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)CN1CC(=O)NC1=O ZINC000874702255 582260324 /nfs/dbraw/zinc/26/03/24/582260324.db2.gz JIBFSJXPAHHYPT-SNVBAGLBSA-N 1 2 298.343 -1.235 20 0 CAADLO CC[C@@H]1COCC[N@H+]1CCNC(=O)CN1CC(=O)NC1=O ZINC000874702255 582260325 /nfs/dbraw/zinc/26/03/25/582260325.db2.gz JIBFSJXPAHHYPT-SNVBAGLBSA-N 1 2 298.343 -1.235 20 0 CAADLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)CNC(N)=O ZINC000874699148 582260387 /nfs/dbraw/zinc/26/03/87/582260387.db2.gz PINHNGXFDYCRGL-SECBINFHSA-N 1 2 258.322 -1.118 20 0 CAADLO CC[C@@H]1COCC[N@H+]1CCNC(=O)CNC(N)=O ZINC000874699148 582260388 /nfs/dbraw/zinc/26/03/88/582260388.db2.gz PINHNGXFDYCRGL-SECBINFHSA-N 1 2 258.322 -1.118 20 0 CAADLO CC[C@H]1COCC[N@@H+]1CCNC(=O)Cn1cnnn1 ZINC000874698970 582260393 /nfs/dbraw/zinc/26/03/93/582260393.db2.gz DTKJBYQTYSFXRI-JTQLQIEISA-N 1 2 268.321 -1.100 20 0 CAADLO CC[C@H]1COCC[N@H+]1CCNC(=O)Cn1cnnn1 ZINC000874698970 582260394 /nfs/dbraw/zinc/26/03/94/582260394.db2.gz DTKJBYQTYSFXRI-JTQLQIEISA-N 1 2 268.321 -1.100 20 0 CAADLO CC[C@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC000874707665 582260417 /nfs/dbraw/zinc/26/04/17/582260417.db2.gz DWQYOWVYOJHLOA-UWVGGRQHSA-N 1 2 298.343 -1.189 20 0 CAADLO CC[C@H]1COCC[N@H+]1CCNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC000874707665 582260418 /nfs/dbraw/zinc/26/04/18/582260418.db2.gz DWQYOWVYOJHLOA-UWVGGRQHSA-N 1 2 298.343 -1.189 20 0 CAADLO C[C@H]1C[N@H+](CCNC(=O)N[C@@H]2COC[C@@H]2O)CCO1 ZINC000875195816 582261004 /nfs/dbraw/zinc/26/10/04/582261004.db2.gz VJYLIVJMWGZVBX-AXFHLTTASA-N 1 2 273.333 -1.234 20 0 CAADLO C[C@H]1C[N@@H+](CCNC(=O)N[C@@H]2COC[C@@H]2O)CCO1 ZINC000875195816 582261005 /nfs/dbraw/zinc/26/10/05/582261005.db2.gz VJYLIVJMWGZVBX-AXFHLTTASA-N 1 2 273.333 -1.234 20 0 CAADLO COC(=O)C1(O)CN(C(=O)NCCc2cn(C)c[nH+]2)C1 ZINC000875658659 582261660 /nfs/dbraw/zinc/26/16/60/582261660.db2.gz AXKMDKYBODBBPR-UHFFFAOYSA-N 1 2 282.300 -1.108 20 0 CAADLO CON(C)C(=O)CNC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000875676600 582261685 /nfs/dbraw/zinc/26/16/85/582261685.db2.gz INTFAULXXGJRNQ-SECBINFHSA-N 1 2 274.321 -1.364 20 0 CAADLO CON(C)C(=O)CNC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000875676600 582261687 /nfs/dbraw/zinc/26/16/87/582261687.db2.gz INTFAULXXGJRNQ-SECBINFHSA-N 1 2 274.321 -1.364 20 0 CAADLO C[C@@H](C(=O)NCC(=O)OCC1CC1)N1CC[NH2+]CC1=O ZINC000876642054 582262706 /nfs/dbraw/zinc/26/27/06/582262706.db2.gz QXFJXWUBYCHAQO-VIFPVBQESA-N 1 2 283.328 -1.124 20 0 CAADLO CNC(=O)C1(NC(=O)[C@H](C)N2CC[NH2+]CC2=O)CCCC1 ZINC000876639365 582262725 /nfs/dbraw/zinc/26/27/25/582262725.db2.gz ONPIGBWMLPCBHG-JTQLQIEISA-N 1 2 296.371 -1.018 20 0 CAADLO C[C@H](C(=O)NCC(=O)OCC1CC1)N1CC[NH2+]CC1=O ZINC000876642053 582262772 /nfs/dbraw/zinc/26/27/72/582262772.db2.gz QXFJXWUBYCHAQO-SECBINFHSA-N 1 2 283.328 -1.124 20 0 CAADLO C[C@H](C(=O)NCCCN1CCOC1=O)N1CC[NH2+]CC1=O ZINC000876640561 582262803 /nfs/dbraw/zinc/26/28/03/582262803.db2.gz YAFIDBXGXJRGII-SNVBAGLBSA-N 1 2 298.343 -1.235 20 0 CAADLO C[C@@H](C(=O)NC[C@@H](O)c1cnn(C)c1)N1CC[NH2+]CC1=O ZINC000876681926 582262920 /nfs/dbraw/zinc/26/29/20/582262920.db2.gz CEGKZDZRDAXAMN-GXSJLCMTSA-N 1 2 295.343 -1.610 20 0 CAADLO C[C@@H](C(=O)NC[C@H](O)c1cnn(C)c1)N1CC[NH2+]CC1=O ZINC000876681929 582262996 /nfs/dbraw/zinc/26/29/96/582262996.db2.gz CEGKZDZRDAXAMN-ONGXEEELSA-N 1 2 295.343 -1.610 20 0 CAADLO COC(=O)[C@H]1COCCN1C(=O)[C@@H](C)N1CC[NH2+]CC1=O ZINC000876880459 582263644 /nfs/dbraw/zinc/26/36/44/582263644.db2.gz JPFGASVBMPOVEM-NXEZZACHSA-N 1 2 299.327 -1.793 20 0 CAADLO CCn1ncc(CNC(=O)[C@H](C)N2CC[NH2+]CC2=O)n1 ZINC000876990469 582263987 /nfs/dbraw/zinc/26/39/87/582263987.db2.gz DMMTZCJMGVMNJC-VIFPVBQESA-N 1 2 280.332 -1.266 20 0 CAADLO CON(C)C(=O)[C@H](C)NC(=O)[C@@H](C)N1CC[NH2+]CC1=O ZINC000877092229 582264305 /nfs/dbraw/zinc/26/43/05/582264305.db2.gz XNJZJUCXJKIZON-DTWKUNHWSA-N 1 2 286.332 -1.669 20 0 CAADLO O=C(CN1CC[NH2+]CC1=O)N1C[C@@H]2COC(=O)[C@@H]2C1 ZINC000877114596 582264577 /nfs/dbraw/zinc/26/45/77/582264577.db2.gz VIOYLIZZIRIUTA-RKDXNWHRSA-N 1 2 267.285 -1.950 20 0 CAADLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)CN1CCNCC1=O ZINC000877432763 582265217 /nfs/dbraw/zinc/26/52/17/582265217.db2.gz GNFZXFNJCMCAPE-GFCCVEGCSA-N 1 2 298.387 -1.355 20 0 CAADLO CC[C@@H]1COCC[N@H+]1CCNC(=O)CN1CCNCC1=O ZINC000877432763 582265218 /nfs/dbraw/zinc/26/52/18/582265218.db2.gz GNFZXFNJCMCAPE-GFCCVEGCSA-N 1 2 298.387 -1.355 20 0 CAADLO O=C([C@@H]1CCCO1)N1CC[NH+](CCn2cnnn2)CC1 ZINC000877945165 582265395 /nfs/dbraw/zinc/26/53/95/582265395.db2.gz MSEHYFHVQKGZCX-NSHDSACASA-N 1 2 280.332 -1.004 20 0 CAADLO CC(C)NC(=O)CN1CC[NH+](CCn2cnnn2)CC1 ZINC000877939074 582265401 /nfs/dbraw/zinc/26/54/01/582265401.db2.gz IWUVMNYRALPZKN-UHFFFAOYSA-N 1 2 281.364 -1.185 20 0 CAADLO CC(C)NC(=O)C[NH+]1CCN(CCn2cnnn2)CC1 ZINC000877939074 582265403 /nfs/dbraw/zinc/26/54/03/582265403.db2.gz IWUVMNYRALPZKN-UHFFFAOYSA-N 1 2 281.364 -1.185 20 0 CAADLO CS(=O)(=O)N1CC[NH+](CCn2cnnn2)CC1 ZINC000877893764 582265416 /nfs/dbraw/zinc/26/54/16/582265416.db2.gz WJUSABUTWCFKAO-UHFFFAOYSA-N 1 2 260.323 -1.750 20 0 CAADLO O=C(CN1CC[NH2+]CC1=O)N1CCNC(=O)CC12CCC2 ZINC000877456349 582265420 /nfs/dbraw/zinc/26/54/20/582265420.db2.gz TUFZZUGJGDHUNN-UHFFFAOYSA-N 1 2 294.355 -1.311 20 0 CAADLO CN(C)C(=O)N1CC[NH+](CCn2cnnn2)CC1 ZINC000877897005 582265428 /nfs/dbraw/zinc/26/54/28/582265428.db2.gz CKKPJOTXJFHAOD-UHFFFAOYSA-N 1 2 253.310 -1.028 20 0 CAADLO COC(=O)C[C@H]1C(=O)NCC[N@H+]1C[C@@H](O)CC(C)(C)O ZINC000877902697 582265440 /nfs/dbraw/zinc/26/54/40/582265440.db2.gz FDOKUESEABZHEG-UWVGGRQHSA-N 1 2 288.344 -1.128 20 0 CAADLO COC(=O)C[C@H]1C(=O)NCC[N@@H+]1C[C@@H](O)CC(C)(C)O ZINC000877902697 582265441 /nfs/dbraw/zinc/26/54/41/582265441.db2.gz FDOKUESEABZHEG-UWVGGRQHSA-N 1 2 288.344 -1.128 20 0 CAADLO O=C(C[C@@H]1CCNC1=O)NCC[NH+]1CCOCC1 ZINC000877962807 582265518 /nfs/dbraw/zinc/26/55/18/582265518.db2.gz XLYILGJCOWMZDU-JTQLQIEISA-N 1 2 255.318 -1.039 20 0 CAADLO CCOC(=O)[C@@H]1C[N@H+](CCn2cnnn2)CCO1 ZINC000878127365 582265727 /nfs/dbraw/zinc/26/57/27/582265727.db2.gz GEEJXUQSKUBDDW-VIFPVBQESA-N 1 2 255.278 -1.063 20 0 CAADLO CCOC(=O)[C@@H]1C[N@@H+](CCn2cnnn2)CCO1 ZINC000878127365 582265728 /nfs/dbraw/zinc/26/57/28/582265728.db2.gz GEEJXUQSKUBDDW-VIFPVBQESA-N 1 2 255.278 -1.063 20 0 CAADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)c1nnn(C)n1 ZINC000878236764 582265994 /nfs/dbraw/zinc/26/59/94/582265994.db2.gz OFQOPJSHIULGES-QMMMGPOBSA-N 1 2 254.294 -1.339 20 0 CAADLO C[C@H](O)C(=O)N1CC[NH+](CCc2nnnn2C)CC1 ZINC000878331351 582266130 /nfs/dbraw/zinc/26/61/30/582266130.db2.gz SHYCOWNFCXDPNZ-VIFPVBQESA-N 1 2 268.321 -1.722 20 0 CAADLO Cn1nnnc1CC[N@@H+]1CCSC[C@H]1C(N)=O ZINC000878330067 582266132 /nfs/dbraw/zinc/26/61/32/582266132.db2.gz WUAMWZRREXSNRE-ZETCQYMHSA-N 1 2 256.335 -1.345 20 0 CAADLO Cn1nnnc1CC[N@H+]1CCSC[C@H]1C(N)=O ZINC000878330067 582266133 /nfs/dbraw/zinc/26/61/33/582266133.db2.gz WUAMWZRREXSNRE-ZETCQYMHSA-N 1 2 256.335 -1.345 20 0 CAADLO C[C@@H](O)C(=O)N1CC[NH+](CCc2nnnn2C)CC1 ZINC000878331350 582266149 /nfs/dbraw/zinc/26/61/49/582266149.db2.gz SHYCOWNFCXDPNZ-SECBINFHSA-N 1 2 268.321 -1.722 20 0 CAADLO COC(=O)[C@@H]1[C@@H](O)CCC[N@@H+]1CCc1nnnn1C ZINC000878477921 582266245 /nfs/dbraw/zinc/26/62/45/582266245.db2.gz VYNKRCYARXSIFZ-WPRPVWTQSA-N 1 2 269.305 -1.249 20 0 CAADLO COC(=O)[C@@H]1[C@@H](O)CCC[N@H+]1CCc1nnnn1C ZINC000878477921 582266246 /nfs/dbraw/zinc/26/62/46/582266246.db2.gz VYNKRCYARXSIFZ-WPRPVWTQSA-N 1 2 269.305 -1.249 20 0 CAADLO COC(=O)[C@@H]1[C@H](O)CCC[N@@H+]1CCn1cnnn1 ZINC000878477914 582266306 /nfs/dbraw/zinc/26/63/06/582266306.db2.gz VYAQVNCHVQJMBA-BDAKNGLRSA-N 1 2 255.278 -1.329 20 0 CAADLO COC(=O)[C@@H]1[C@H](O)CCC[N@H+]1CCn1cnnn1 ZINC000878477914 582266307 /nfs/dbraw/zinc/26/63/07/582266307.db2.gz VYAQVNCHVQJMBA-BDAKNGLRSA-N 1 2 255.278 -1.329 20 0 CAADLO COC(=O)[C@H]1[C@H](O)CCC[N@@H+]1CCc1nnnn1C ZINC000878477918 582266316 /nfs/dbraw/zinc/26/63/16/582266316.db2.gz VYNKRCYARXSIFZ-PSASIEDQSA-N 1 2 269.305 -1.249 20 0 CAADLO COC(=O)[C@H]1[C@H](O)CCC[N@H+]1CCc1nnnn1C ZINC000878477918 582266317 /nfs/dbraw/zinc/26/63/17/582266317.db2.gz VYNKRCYARXSIFZ-PSASIEDQSA-N 1 2 269.305 -1.249 20 0 CAADLO O=C(C[N@@H+]1C[C@@H]2C(=O)NC(=O)[C@@H]2C1)NCC(F)(F)F ZINC000878678688 582266392 /nfs/dbraw/zinc/26/63/92/582266392.db2.gz XYEWTSJWVHBTFM-OLQVQODUSA-N 1 2 279.218 -1.131 20 0 CAADLO O=C(C[N@H+]1C[C@@H]2C(=O)NC(=O)[C@@H]2C1)NCC(F)(F)F ZINC000878678688 582266393 /nfs/dbraw/zinc/26/63/93/582266393.db2.gz XYEWTSJWVHBTFM-OLQVQODUSA-N 1 2 279.218 -1.131 20 0 CAADLO c1nnc(CN2CC[NH+](CCn3cnnn3)CC2)[nH]1 ZINC000878811708 582266589 /nfs/dbraw/zinc/26/65/89/582266589.db2.gz RMFKDACJVIKXFW-UHFFFAOYSA-N 1 2 263.309 -1.391 20 0 CAADLO c1nc(CN2CC[NH+](CCn3cnnn3)CC2)n[nH]1 ZINC000878811708 582266590 /nfs/dbraw/zinc/26/65/90/582266590.db2.gz RMFKDACJVIKXFW-UHFFFAOYSA-N 1 2 263.309 -1.391 20 0 CAADLO C[C@@H]1C[N@H+](CCc2nnnn2C)CCN1S(C)(=O)=O ZINC000878950707 582266780 /nfs/dbraw/zinc/26/67/80/582266780.db2.gz ZSVJLBWTWQZTPS-SECBINFHSA-N 1 2 288.377 -1.282 20 0 CAADLO C[C@@H]1C[N@@H+](CCc2nnnn2C)CCN1S(C)(=O)=O ZINC000878950707 582266781 /nfs/dbraw/zinc/26/67/81/582266781.db2.gz ZSVJLBWTWQZTPS-SECBINFHSA-N 1 2 288.377 -1.282 20 0 CAADLO Cn1nnnc1CC[NH+]1CCN(CC(F)(F)CO)CC1 ZINC000878831716 582266797 /nfs/dbraw/zinc/26/67/97/582266797.db2.gz JIPXGAUFIZKBKV-UHFFFAOYSA-N 1 2 290.318 -1.002 20 0 CAADLO O=C1CC[C@@H]([NH+]2CCN(c3nc[nH]n3)CC2)C(=O)N1 ZINC000878824984 582266837 /nfs/dbraw/zinc/26/68/37/582266837.db2.gz UJEFTGUGPBVDBC-MRVPVSSYSA-N 1 2 264.289 -1.268 20 0 CAADLO CC(C)(C(N)=O)[NH+]1CCN(C(=O)C[C@@H]2CCNC2=O)CC1 ZINC000879022675 582266981 /nfs/dbraw/zinc/26/69/81/582266981.db2.gz WMEODDJSMREPQH-JTQLQIEISA-N 1 2 296.371 -1.079 20 0 CAADLO c1cn(C[C@H]2C[N@H+](CCn3cnnn3)CCO2)nn1 ZINC000878988911 582267015 /nfs/dbraw/zinc/26/70/15/582267015.db2.gz YHXVLAWTVLJYTD-SNVBAGLBSA-N 1 2 264.293 -1.334 20 0 CAADLO c1cn(C[C@H]2C[N@@H+](CCn3cnnn3)CCO2)nn1 ZINC000878988911 582267016 /nfs/dbraw/zinc/26/70/16/582267016.db2.gz YHXVLAWTVLJYTD-SNVBAGLBSA-N 1 2 264.293 -1.334 20 0 CAADLO CC(C)(C(N)=O)[NH+]1CCN(C(=O)C[C@H]2CCNC2=O)CC1 ZINC000879022676 582267034 /nfs/dbraw/zinc/26/70/34/582267034.db2.gz WMEODDJSMREPQH-SNVBAGLBSA-N 1 2 296.371 -1.079 20 0 CAADLO O=S(=O)(C1CC1)N1CC[NH+](CCn2cnnn2)CC1 ZINC000879033066 582267093 /nfs/dbraw/zinc/26/70/93/582267093.db2.gz HGJSXBGGPYBYPK-UHFFFAOYSA-N 1 2 286.361 -1.217 20 0 CAADLO COC(=O)CC[N@@H+]1CCN(C(=O)c2nnn(C)n2)[C@@H](C)C1 ZINC000879382411 582267302 /nfs/dbraw/zinc/26/73/02/582267302.db2.gz JCCYCRWGTIRIQU-VIFPVBQESA-N 1 2 296.331 -1.081 20 0 CAADLO COC(=O)CC[N@H+]1CCN(C(=O)c2nnn(C)n2)[C@@H](C)C1 ZINC000879382411 582267303 /nfs/dbraw/zinc/26/73/03/582267303.db2.gz JCCYCRWGTIRIQU-VIFPVBQESA-N 1 2 296.331 -1.081 20 0 CAADLO COC(=O)CC[N@@H+]1CCN(C(=O)c2nnn(C)n2)[C@H](C)C1 ZINC000879382410 582267363 /nfs/dbraw/zinc/26/73/63/582267363.db2.gz JCCYCRWGTIRIQU-SECBINFHSA-N 1 2 296.331 -1.081 20 0 CAADLO COC(=O)CC[N@H+]1CCN(C(=O)c2nnn(C)n2)[C@H](C)C1 ZINC000879382410 582267364 /nfs/dbraw/zinc/26/73/64/582267364.db2.gz JCCYCRWGTIRIQU-SECBINFHSA-N 1 2 296.331 -1.081 20 0 CAADLO C[C@H](c1nnnn1C)[N@@H+]1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000879535163 582267686 /nfs/dbraw/zinc/26/76/86/582267686.db2.gz IFJJSFAFOCHHTB-PRJMDXOYSA-N 1 2 264.289 -1.182 20 0 CAADLO C[C@H](c1nnnn1C)[N@H+]1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000879535163 582267688 /nfs/dbraw/zinc/26/76/88/582267688.db2.gz IFJJSFAFOCHHTB-PRJMDXOYSA-N 1 2 264.289 -1.182 20 0 CAADLO C[S@](=N)(=O)N1CC[NH+](CCn2cnnn2)CC1 ZINC000879946304 582268621 /nfs/dbraw/zinc/26/86/21/582268621.db2.gz FVIUNUFUYRJALJ-QGZVFWFLSA-N 1 2 259.339 -1.118 20 0 CAADLO CC(C)(C)OC(=O)CNC(=O)C[N@@H+]1CC[C@@H](O)[C@@H](O)C1 ZINC000879609746 582267987 /nfs/dbraw/zinc/26/79/87/582267987.db2.gz FWNQOHGWAVEVKL-ZJUUUORDSA-N 1 2 288.344 -1.128 20 0 CAADLO CC(C)(C)OC(=O)CNC(=O)C[N@H+]1CC[C@@H](O)[C@@H](O)C1 ZINC000879609746 582267988 /nfs/dbraw/zinc/26/79/88/582267988.db2.gz FWNQOHGWAVEVKL-ZJUUUORDSA-N 1 2 288.344 -1.128 20 0 CAADLO O=C1NCCO[C@H]2CCC[N@H+](CCn3cnnn3)[C@H]12 ZINC000879727550 582268161 /nfs/dbraw/zinc/26/81/61/582268161.db2.gz GBXIWVLFOFNBLY-UWVGGRQHSA-N 1 2 266.305 -1.348 20 0 CAADLO O=C1NCCO[C@H]2CCC[N@@H+](CCn3cnnn3)[C@H]12 ZINC000879727550 582268162 /nfs/dbraw/zinc/26/81/62/582268162.db2.gz GBXIWVLFOFNBLY-UWVGGRQHSA-N 1 2 266.305 -1.348 20 0 CAADLO O=C1NCCN1CC[N@@H+]1CCC[C@@H]2OCCNC(=O)[C@@H]21 ZINC000879726285 582268174 /nfs/dbraw/zinc/26/81/74/582268174.db2.gz VFCBEGXDBJLRKE-WDEREUQCSA-N 1 2 282.344 -1.009 20 0 CAADLO O=C1NCCN1CC[N@H+]1CCC[C@@H]2OCCNC(=O)[C@@H]21 ZINC000879726285 582268175 /nfs/dbraw/zinc/26/81/75/582268175.db2.gz VFCBEGXDBJLRKE-WDEREUQCSA-N 1 2 282.344 -1.009 20 0 CAADLO O=C1NCCN1CC[N@@H+]1CCC[C@H]2OCCNC(=O)[C@H]21 ZINC000879726283 582268198 /nfs/dbraw/zinc/26/81/98/582268198.db2.gz VFCBEGXDBJLRKE-MNOVXSKESA-N 1 2 282.344 -1.009 20 0 CAADLO O=C1NCCN1CC[N@H+]1CCC[C@H]2OCCNC(=O)[C@H]21 ZINC000879726283 582268199 /nfs/dbraw/zinc/26/81/99/582268199.db2.gz VFCBEGXDBJLRKE-MNOVXSKESA-N 1 2 282.344 -1.009 20 0 CAADLO O=C1NCCN1CC[N@@H+]1CCC[C@@H]2OCCNC(=O)[C@H]21 ZINC000879726284 582268225 /nfs/dbraw/zinc/26/82/25/582268225.db2.gz VFCBEGXDBJLRKE-QWRGUYRKSA-N 1 2 282.344 -1.009 20 0 CAADLO O=C1NCCN1CC[N@H+]1CCC[C@@H]2OCCNC(=O)[C@H]21 ZINC000879726284 582268227 /nfs/dbraw/zinc/26/82/27/582268227.db2.gz VFCBEGXDBJLRKE-QWRGUYRKSA-N 1 2 282.344 -1.009 20 0 CAADLO CNS(=O)(=O)CC[N@@H+]1CCC[C@H]2OCCNC(=O)[C@@H]21 ZINC000879729171 582268257 /nfs/dbraw/zinc/26/82/57/582268257.db2.gz WZUHHIPJKJSQAI-NXEZZACHSA-N 1 2 291.373 -1.485 20 0 CAADLO CNS(=O)(=O)CC[N@H+]1CCC[C@H]2OCCNC(=O)[C@@H]21 ZINC000879729171 582268259 /nfs/dbraw/zinc/26/82/59/582268259.db2.gz WZUHHIPJKJSQAI-NXEZZACHSA-N 1 2 291.373 -1.485 20 0 CAADLO O=C1NCCO[C@@H]2CCC[N@H+](CCn3cnnn3)[C@@H]12 ZINC000879727549 582268303 /nfs/dbraw/zinc/26/83/03/582268303.db2.gz GBXIWVLFOFNBLY-NXEZZACHSA-N 1 2 266.305 -1.348 20 0 CAADLO O=C1NCCO[C@@H]2CCC[N@@H+](CCn3cnnn3)[C@@H]12 ZINC000879727549 582268304 /nfs/dbraw/zinc/26/83/04/582268304.db2.gz GBXIWVLFOFNBLY-NXEZZACHSA-N 1 2 266.305 -1.348 20 0 CAADLO O=C(C[C@H]1CCNC1=O)N[C@@H](CO)C[NH+]1CCOCC1 ZINC000879858461 582268343 /nfs/dbraw/zinc/26/83/43/582268343.db2.gz KMOIZYKDZMZXFN-GHMZBOCLSA-N 1 2 285.344 -1.678 20 0 CAADLO CNS(=O)(=O)CC[N@@H+]1CCC[C@H]2OCCNC(=O)[C@H]21 ZINC000879729174 582268401 /nfs/dbraw/zinc/26/84/01/582268401.db2.gz WZUHHIPJKJSQAI-ZJUUUORDSA-N 1 2 291.373 -1.485 20 0 CAADLO CNS(=O)(=O)CC[N@H+]1CCC[C@H]2OCCNC(=O)[C@H]21 ZINC000879729174 582268403 /nfs/dbraw/zinc/26/84/03/582268403.db2.gz WZUHHIPJKJSQAI-ZJUUUORDSA-N 1 2 291.373 -1.485 20 0 CAADLO C[S@@](=N)(=O)N1CC[NH+](CCn2cnnn2)CC1 ZINC000879946302 582268501 /nfs/dbraw/zinc/26/85/01/582268501.db2.gz FVIUNUFUYRJALJ-KRWDZBQOSA-N 1 2 259.339 -1.118 20 0 CAADLO Cn1nnnc1CC[NH+]1CCN([S@](C)(=N)=O)CC1 ZINC000879945768 582268614 /nfs/dbraw/zinc/26/86/14/582268614.db2.gz BFGWEJNJGNPRJB-SFHVURJKSA-N 1 2 273.366 -1.038 20 0 CAADLO C[C@@H]1CN(C(=O)C[N@H+](C)CCS(N)(=O)=O)C[C@@H](C)O1 ZINC000880081536 582268694 /nfs/dbraw/zinc/26/86/94/582268694.db2.gz RXJBEFSKBYEEPI-NXEZZACHSA-N 1 2 293.389 -1.158 20 0 CAADLO C[C@@H]1CN(C(=O)C[N@@H+](C)CCS(N)(=O)=O)C[C@@H](C)O1 ZINC000880081536 582268696 /nfs/dbraw/zinc/26/86/96/582268696.db2.gz RXJBEFSKBYEEPI-NXEZZACHSA-N 1 2 293.389 -1.158 20 0 CAADLO CCN(C)C(=O)CC[NH+](CC(=O)NC)CC(=O)NC ZINC000880152015 582268897 /nfs/dbraw/zinc/26/88/97/582268897.db2.gz POVZOIUWRJUXEY-UHFFFAOYSA-N 1 2 272.349 -1.351 20 0 CAADLO CNC(=O)C[NH+](CCC(=O)N(C)OC)CC(=O)NC ZINC000880152766 582268928 /nfs/dbraw/zinc/26/89/28/582268928.db2.gz TVKVAYCZRPBUAX-UHFFFAOYSA-N 1 2 274.321 -1.810 20 0 CAADLO CNC(=O)C[NH+](CC(=O)NC)C[C@@H](O)CCOC(C)C ZINC000880152901 582269078 /nfs/dbraw/zinc/26/90/78/582269078.db2.gz YQBBIBFMWILXMW-NSHDSACASA-N 1 2 289.376 -1.044 20 0 CAADLO CCOC(=O)C[C@@H](O)C[N@@H+]1CCC(=O)NCC12COC2 ZINC000880402302 582269311 /nfs/dbraw/zinc/26/93/11/582269311.db2.gz RNOJURMSMZWPRB-SNVBAGLBSA-N 1 2 286.328 -1.109 20 0 CAADLO CCOC(=O)C[C@@H](O)C[N@H+]1CCC(=O)NCC12COC2 ZINC000880402302 582269312 /nfs/dbraw/zinc/26/93/12/582269312.db2.gz RNOJURMSMZWPRB-SNVBAGLBSA-N 1 2 286.328 -1.109 20 0 CAADLO CCOC[C@H](O)C[N@@H+]1CCC(=O)NCC12COC2 ZINC000880399509 582269317 /nfs/dbraw/zinc/26/93/17/582269317.db2.gz QPHNXHCCJPHCFE-SNVBAGLBSA-N 1 2 258.318 -1.025 20 0 CAADLO CCOC[C@H](O)C[N@H+]1CCC(=O)NCC12COC2 ZINC000880399509 582269318 /nfs/dbraw/zinc/26/93/18/582269318.db2.gz QPHNXHCCJPHCFE-SNVBAGLBSA-N 1 2 258.318 -1.025 20 0 CAADLO CCOC(=O)C[C@H](O)C[N@@H+]1CCC(=O)NCC12COC2 ZINC000880402301 582269338 /nfs/dbraw/zinc/26/93/38/582269338.db2.gz RNOJURMSMZWPRB-JTQLQIEISA-N 1 2 286.328 -1.109 20 0 CAADLO CCOC(=O)C[C@H](O)C[N@H+]1CCC(=O)NCC12COC2 ZINC000880402301 582269339 /nfs/dbraw/zinc/26/93/39/582269339.db2.gz RNOJURMSMZWPRB-JTQLQIEISA-N 1 2 286.328 -1.109 20 0 CAADLO O=C(C[N@H+]1CC=C[C@@H]1CO)NCC(=O)N1CCCC1 ZINC000880485410 582269448 /nfs/dbraw/zinc/26/94/48/582269448.db2.gz GKBMOOKICYOGHP-LLVKDONJSA-N 1 2 267.329 -1.042 20 0 CAADLO O=C(C[N@@H+]1CC=C[C@@H]1CO)NCC(=O)N1CCCC1 ZINC000880485410 582269449 /nfs/dbraw/zinc/26/94/49/582269449.db2.gz GKBMOOKICYOGHP-LLVKDONJSA-N 1 2 267.329 -1.042 20 0 CAADLO Cn1cc(S(=O)(=O)NCC[N@@H+]2CC=C[C@@H]2CO)cn1 ZINC000880487527 582269480 /nfs/dbraw/zinc/26/94/80/582269480.db2.gz VTSGKIWGUIVMPR-SNVBAGLBSA-N 1 2 286.357 -1.069 20 0 CAADLO Cn1cc(S(=O)(=O)NCC[N@H+]2CC=C[C@@H]2CO)cn1 ZINC000880487527 582269481 /nfs/dbraw/zinc/26/94/81/582269481.db2.gz VTSGKIWGUIVMPR-SNVBAGLBSA-N 1 2 286.357 -1.069 20 0 CAADLO C[C@H](NC(=O)C[N@@H+]1CC=C[C@H]1CO)C(=O)N(C)C ZINC000880485137 582269486 /nfs/dbraw/zinc/26/94/86/582269486.db2.gz DUEXWGFUZOWNPX-UWVGGRQHSA-N 1 2 255.318 -1.188 20 0 CAADLO C[C@H](NC(=O)C[N@H+]1CC=C[C@H]1CO)C(=O)N(C)C ZINC000880485137 582269487 /nfs/dbraw/zinc/26/94/87/582269487.db2.gz DUEXWGFUZOWNPX-UWVGGRQHSA-N 1 2 255.318 -1.188 20 0 CAADLO C[C@H](NC(=O)C[N@@H+]1CC=C[C@@H]1CO)C(=O)N(C)C ZINC000880485140 582269544 /nfs/dbraw/zinc/26/95/44/582269544.db2.gz DUEXWGFUZOWNPX-VHSXEESVSA-N 1 2 255.318 -1.188 20 0 CAADLO C[C@H](NC(=O)C[N@H+]1CC=C[C@@H]1CO)C(=O)N(C)C ZINC000880485140 582269545 /nfs/dbraw/zinc/26/95/45/582269545.db2.gz DUEXWGFUZOWNPX-VHSXEESVSA-N 1 2 255.318 -1.188 20 0 CAADLO O=C(C[N@@H+]1CCC[C@@H]2CCNC(=O)[C@@H]21)N1CCNC(=O)C1 ZINC000880532138 582269710 /nfs/dbraw/zinc/26/97/10/582269710.db2.gz MZBBGHJTASAULI-ZWNOBZJWSA-N 1 2 294.355 -1.455 20 0 CAADLO O=C(C[N@H+]1CCC[C@@H]2CCNC(=O)[C@@H]21)N1CCNC(=O)C1 ZINC000880532138 582269711 /nfs/dbraw/zinc/26/97/11/582269711.db2.gz MZBBGHJTASAULI-ZWNOBZJWSA-N 1 2 294.355 -1.455 20 0 CAADLO COC(=O)[C@]1(O)CC[N@H+](CC(=O)NC[C@@H]2CCCO2)C1 ZINC000880557985 582269719 /nfs/dbraw/zinc/26/97/19/582269719.db2.gz HAYPOKPFOCFCBD-GWCFXTLKSA-N 1 2 286.328 -1.109 20 0 CAADLO COC(=O)[C@]1(O)CC[N@@H+](CC(=O)NC[C@@H]2CCCO2)C1 ZINC000880557985 582269720 /nfs/dbraw/zinc/26/97/20/582269720.db2.gz HAYPOKPFOCFCBD-GWCFXTLKSA-N 1 2 286.328 -1.109 20 0 CAADLO COC(=O)CNC(=O)C[N@@H+]1CCC[C@H]2CCNC(=O)[C@@H]21 ZINC000880532489 582269728 /nfs/dbraw/zinc/26/97/28/582269728.db2.gz UDNHFWYCUNWTQV-JOYOIKCWSA-N 1 2 283.328 -1.124 20 0 CAADLO COC(=O)CNC(=O)C[N@H+]1CCC[C@H]2CCNC(=O)[C@@H]21 ZINC000880532489 582269729 /nfs/dbraw/zinc/26/97/29/582269729.db2.gz UDNHFWYCUNWTQV-JOYOIKCWSA-N 1 2 283.328 -1.124 20 0 CAADLO COC(=O)CNC(=O)C[N@@H+]1CCC[C@@H]2CCNC(=O)[C@@H]21 ZINC000880532487 582269737 /nfs/dbraw/zinc/26/97/37/582269737.db2.gz UDNHFWYCUNWTQV-BXKDBHETSA-N 1 2 283.328 -1.124 20 0 CAADLO COC(=O)CNC(=O)C[N@H+]1CCC[C@@H]2CCNC(=O)[C@@H]21 ZINC000880532487 582269738 /nfs/dbraw/zinc/26/97/38/582269738.db2.gz UDNHFWYCUNWTQV-BXKDBHETSA-N 1 2 283.328 -1.124 20 0 CAADLO O=C(C[N@@H+]1CCC[C@H]2CCNC(=O)[C@H]21)N1CCNC(=O)C1 ZINC000880532135 582269791 /nfs/dbraw/zinc/26/97/91/582269791.db2.gz MZBBGHJTASAULI-GWCFXTLKSA-N 1 2 294.355 -1.455 20 0 CAADLO O=C(C[N@H+]1CCC[C@H]2CCNC(=O)[C@H]21)N1CCNC(=O)C1 ZINC000880532135 582269792 /nfs/dbraw/zinc/26/97/92/582269792.db2.gz MZBBGHJTASAULI-GWCFXTLKSA-N 1 2 294.355 -1.455 20 0 CAADLO COC(=O)[C@]1(O)CC[N@@H+]([C@@H](C)c2nnnn2C)C1 ZINC000880566599 582269904 /nfs/dbraw/zinc/26/99/04/582269904.db2.gz OKMCCAMNXROXNW-XVKPBYJWSA-N 1 2 255.278 -1.119 20 0 CAADLO COC(=O)[C@]1(O)CC[N@H+]([C@@H](C)c2nnnn2C)C1 ZINC000880566599 582269905 /nfs/dbraw/zinc/26/99/05/582269905.db2.gz OKMCCAMNXROXNW-XVKPBYJWSA-N 1 2 255.278 -1.119 20 0 CAADLO CCN1OC[C@@H]([N@@H+]2CC[C@@](O)(C(=O)OC)C2)C1=O ZINC000880566974 582269910 /nfs/dbraw/zinc/26/99/10/582269910.db2.gz UJCXETWWROWEAN-KCJUWKMLSA-N 1 2 258.274 -1.242 20 0 CAADLO CCN1OC[C@@H]([N@H+]2CC[C@@](O)(C(=O)OC)C2)C1=O ZINC000880566974 582269911 /nfs/dbraw/zinc/26/99/11/582269911.db2.gz UJCXETWWROWEAN-KCJUWKMLSA-N 1 2 258.274 -1.242 20 0 CAADLO CCN1OC[C@H]([N@@H+]2CC[C@](O)(C(=O)OC)C2)C1=O ZINC000880566973 582269913 /nfs/dbraw/zinc/26/99/13/582269913.db2.gz UJCXETWWROWEAN-GZMMTYOYSA-N 1 2 258.274 -1.242 20 0 CAADLO CCN1OC[C@H]([N@H+]2CC[C@](O)(C(=O)OC)C2)C1=O ZINC000880566973 582269914 /nfs/dbraw/zinc/26/99/14/582269914.db2.gz UJCXETWWROWEAN-GZMMTYOYSA-N 1 2 258.274 -1.242 20 0 CAADLO CCN1OC[C@H]([N@@H+]2CC[C@@](O)(C(=O)OC)C2)C1=O ZINC000880566976 582269945 /nfs/dbraw/zinc/26/99/45/582269945.db2.gz UJCXETWWROWEAN-KWQFWETISA-N 1 2 258.274 -1.242 20 0 CAADLO CCN1OC[C@H]([N@H+]2CC[C@@](O)(C(=O)OC)C2)C1=O ZINC000880566976 582269946 /nfs/dbraw/zinc/26/99/46/582269946.db2.gz UJCXETWWROWEAN-KWQFWETISA-N 1 2 258.274 -1.242 20 0 CAADLO CCOCCNC(=O)C[N@@H+]1CC[C@](O)(C(=O)OC)C1 ZINC000880563119 582269995 /nfs/dbraw/zinc/26/99/95/582269995.db2.gz XDQNMTIJSGVOKW-GFCCVEGCSA-N 1 2 274.317 -1.251 20 0 CAADLO CCOCCNC(=O)C[N@H+]1CC[C@](O)(C(=O)OC)C1 ZINC000880563119 582269996 /nfs/dbraw/zinc/26/99/96/582269996.db2.gz XDQNMTIJSGVOKW-GFCCVEGCSA-N 1 2 274.317 -1.251 20 0 CAADLO CON(C)C(=O)CNS(=O)(=O)CCn1cc[nH+]c1 ZINC000882272118 582270947 /nfs/dbraw/zinc/27/09/47/582270947.db2.gz LFMQNWIBUQZSPD-UHFFFAOYSA-N 1 2 276.318 -1.178 20 0 CAADLO C[N@@H+]1CCO[C@@H](CS(=O)(=O)N2CC=C[C@@H]2CO)C1 ZINC000882787076 582271573 /nfs/dbraw/zinc/27/15/73/582271573.db2.gz FPAMXPXGTGJNBD-GHMZBOCLSA-N 1 2 276.358 -1.121 20 0 CAADLO C[N@H+]1CCO[C@@H](CS(=O)(=O)N2CC=C[C@@H]2CO)C1 ZINC000882787076 582271574 /nfs/dbraw/zinc/27/15/74/582271574.db2.gz FPAMXPXGTGJNBD-GHMZBOCLSA-N 1 2 276.358 -1.121 20 0 CAADLO CC[N@@H+]1CCOC[C@@H]1C(=O)N1CC[C@@](O)(C(=O)OC)C1 ZINC000882853874 582271842 /nfs/dbraw/zinc/27/18/42/582271842.db2.gz UMJRHAZUOCKNFV-MFKMUULPSA-N 1 2 286.328 -1.157 20 0 CAADLO CC[N@H+]1CCOC[C@@H]1C(=O)N1CC[C@@](O)(C(=O)OC)C1 ZINC000882853874 582271843 /nfs/dbraw/zinc/27/18/43/582271843.db2.gz UMJRHAZUOCKNFV-MFKMUULPSA-N 1 2 286.328 -1.157 20 0 CAADLO COc1nn(C)cc1C(=O)NCCC[N@@H+]1CCNC(=O)C1 ZINC000883965844 582272607 /nfs/dbraw/zinc/27/26/07/582272607.db2.gz SGRJFOBHCKEAOR-UHFFFAOYSA-N 1 2 295.343 -1.020 20 0 CAADLO COc1nn(C)cc1C(=O)NCCC[N@H+]1CCNC(=O)C1 ZINC000883965844 582272608 /nfs/dbraw/zinc/27/26/08/582272608.db2.gz SGRJFOBHCKEAOR-UHFFFAOYSA-N 1 2 295.343 -1.020 20 0 CAADLO COCC[N@H+](CCO)Cc1cn(CC(=O)OC)nn1 ZINC000884000562 582272820 /nfs/dbraw/zinc/27/28/20/582272820.db2.gz AMPYMRRHYSOARK-UHFFFAOYSA-N 1 2 272.305 -1.108 20 0 CAADLO COCC[N@@H+](CCO)Cc1cn(CC(=O)OC)nn1 ZINC000884000562 582272822 /nfs/dbraw/zinc/27/28/22/582272822.db2.gz AMPYMRRHYSOARK-UHFFFAOYSA-N 1 2 272.305 -1.108 20 0 CAADLO C[C@@H]1C[N@H+](CCOC(=O)CN2CC(=O)NC2=O)CCO1 ZINC000800167043 582273076 /nfs/dbraw/zinc/27/30/76/582273076.db2.gz YKNLMLYDVDSFQV-SECBINFHSA-N 1 2 285.300 -1.198 20 0 CAADLO C[C@@H]1C[N@@H+](CCOC(=O)CN2CC(=O)NC2=O)CCO1 ZINC000800167043 582273077 /nfs/dbraw/zinc/27/30/77/582273077.db2.gz YKNLMLYDVDSFQV-SECBINFHSA-N 1 2 285.300 -1.198 20 0 CAADLO C[C@@H]1C[N@H+](CCOC(=O)[C@@H]2CNC(=O)N2)CCO1 ZINC000800165821 582273080 /nfs/dbraw/zinc/27/30/80/582273080.db2.gz REXFYQXRACLLRH-BDAKNGLRSA-N 1 2 257.290 -1.068 20 0 CAADLO C[C@@H]1C[N@@H+](CCOC(=O)[C@@H]2CNC(=O)N2)CCO1 ZINC000800165821 582273081 /nfs/dbraw/zinc/27/30/81/582273081.db2.gz REXFYQXRACLLRH-BDAKNGLRSA-N 1 2 257.290 -1.068 20 0 CAADLO C[C@H]1C[N@H+](CCOC(=O)[C@@H]2CNC(=O)N2)CCO1 ZINC000800165823 582273119 /nfs/dbraw/zinc/27/31/19/582273119.db2.gz REXFYQXRACLLRH-IUCAKERBSA-N 1 2 257.290 -1.068 20 0 CAADLO C[C@H]1C[N@@H+](CCOC(=O)[C@@H]2CNC(=O)N2)CCO1 ZINC000800165823 582273120 /nfs/dbraw/zinc/27/31/20/582273120.db2.gz REXFYQXRACLLRH-IUCAKERBSA-N 1 2 257.290 -1.068 20 0 CAADLO C[C@@H]1C[N@H+](CCOC(=O)[C@H]2CNC(=O)N2)CCO1 ZINC000800165824 582273160 /nfs/dbraw/zinc/27/31/60/582273160.db2.gz REXFYQXRACLLRH-RKDXNWHRSA-N 1 2 257.290 -1.068 20 0 CAADLO C[C@@H]1C[N@@H+](CCOC(=O)[C@H]2CNC(=O)N2)CCO1 ZINC000800165824 582273161 /nfs/dbraw/zinc/27/31/61/582273161.db2.gz REXFYQXRACLLRH-RKDXNWHRSA-N 1 2 257.290 -1.068 20 0 CAADLO C[C@H]1C[N@H+](CCOC(=O)Cn2ncn(C)c2=O)CCO1 ZINC000800195459 582273300 /nfs/dbraw/zinc/27/33/00/582273300.db2.gz ITJXEQVOKFOLOH-JTQLQIEISA-N 1 2 284.316 -1.154 20 0 CAADLO C[C@H]1C[N@@H+](CCOC(=O)Cn2ncn(C)c2=O)CCO1 ZINC000800195459 582273302 /nfs/dbraw/zinc/27/33/02/582273302.db2.gz ITJXEQVOKFOLOH-JTQLQIEISA-N 1 2 284.316 -1.154 20 0 CAADLO C[C@](O)(C[N@@H+]1CCN2C(=O)C(=O)NC[C@@H]2C1)C(F)F ZINC000886042147 582278240 /nfs/dbraw/zinc/27/82/40/582278240.db2.gz WUELIMGJMUPWSC-HQJQHLMTSA-N 1 2 277.271 -1.355 20 0 CAADLO C[C@](O)(C[N@H+]1CCN2C(=O)C(=O)NC[C@@H]2C1)C(F)F ZINC000886042147 582278242 /nfs/dbraw/zinc/27/82/42/582278242.db2.gz WUELIMGJMUPWSC-HQJQHLMTSA-N 1 2 277.271 -1.355 20 0 CAADLO C[C@@](O)(C[N@@H+]1CCN2C(=O)C(=O)NC[C@@H]2C1)C(F)F ZINC000886042148 582278251 /nfs/dbraw/zinc/27/82/51/582278251.db2.gz WUELIMGJMUPWSC-RDDDGLTNSA-N 1 2 277.271 -1.355 20 0 CAADLO C[C@@](O)(C[N@H+]1CCN2C(=O)C(=O)NC[C@@H]2C1)C(F)F ZINC000886042148 582278252 /nfs/dbraw/zinc/27/82/52/582278252.db2.gz WUELIMGJMUPWSC-RDDDGLTNSA-N 1 2 277.271 -1.355 20 0 CAADLO C[C@@](O)(C[N@@H+]1CCN2C(=O)C(=O)NC[C@H]2C1)C(F)F ZINC000886042149 582278257 /nfs/dbraw/zinc/27/82/57/582278257.db2.gz WUELIMGJMUPWSC-WRWORJQWSA-N 1 2 277.271 -1.355 20 0 CAADLO C[C@@](O)(C[N@H+]1CCN2C(=O)C(=O)NC[C@H]2C1)C(F)F ZINC000886042149 582278259 /nfs/dbraw/zinc/27/82/59/582278259.db2.gz WUELIMGJMUPWSC-WRWORJQWSA-N 1 2 277.271 -1.355 20 0 CAADLO C[C@](O)(C[N@@H+]1CCN2C(=O)C(=O)NC[C@H]2C1)C(F)F ZINC000886042146 582278279 /nfs/dbraw/zinc/27/82/79/582278279.db2.gz WUELIMGJMUPWSC-CPCISQLKSA-N 1 2 277.271 -1.355 20 0 CAADLO C[C@](O)(C[N@H+]1CCN2C(=O)C(=O)NC[C@H]2C1)C(F)F ZINC000886042146 582278280 /nfs/dbraw/zinc/27/82/80/582278280.db2.gz WUELIMGJMUPWSC-CPCISQLKSA-N 1 2 277.271 -1.355 20 0 CAADLO Cn1c(N)c(C(=O)C[N@@H+]2C[C@@H]3C[C@@H]3C2)c(=O)n(C)c1=O ZINC000886338491 582278816 /nfs/dbraw/zinc/27/88/16/582278816.db2.gz LUFHLFQUZITBCI-OCAPTIKFSA-N 1 2 278.312 -1.199 20 0 CAADLO Cn1c(N)c(C(=O)C[N@H+]2C[C@@H]3C[C@@H]3C2)c(=O)n(C)c1=O ZINC000886338491 582278818 /nfs/dbraw/zinc/27/88/18/582278818.db2.gz LUFHLFQUZITBCI-OCAPTIKFSA-N 1 2 278.312 -1.199 20 0 CAADLO CCN1OC[C@H]([NH+]2CCC(O)(COCCO)CC2)C1=O ZINC000886749548 582278987 /nfs/dbraw/zinc/27/89/87/582278987.db2.gz WJVCRLUJQMCMSK-NSHDSACASA-N 1 2 288.344 -1.016 20 0 CAADLO Cn1nccc1-n1cc(C[NH+](CCO)CCO)nn1 ZINC000887417230 582280872 /nfs/dbraw/zinc/28/08/72/582280872.db2.gz DLUNJHJKGBCNOV-UHFFFAOYSA-N 1 2 266.305 -1.213 20 0 CAADLO Cn1ccc(-n2cc(C[NH+](CCO)CCO)nn2)n1 ZINC000887417615 582280883 /nfs/dbraw/zinc/28/08/83/582280883.db2.gz SAWDUGWVRLZHCO-UHFFFAOYSA-N 1 2 266.305 -1.213 20 0 CAADLO COC(=O)Cn1cc(C[N@@H+]2CCN3CCOC[C@@H]3C2)nn1 ZINC000887556382 582280890 /nfs/dbraw/zinc/28/08/90/582280890.db2.gz KZYYIYTVTYBMIQ-LBPRGKRZSA-N 1 2 295.343 -1.033 20 0 CAADLO COC(=O)Cn1cc(C[N@H+]2CCN3CCOC[C@@H]3C2)nn1 ZINC000887556382 582280891 /nfs/dbraw/zinc/28/08/91/582280891.db2.gz KZYYIYTVTYBMIQ-LBPRGKRZSA-N 1 2 295.343 -1.033 20 0 CAADLO CN(CC[NH+]1CCOCC1)C(=O)NCC1N=NC(=O)N1C ZINC000889584443 582281516 /nfs/dbraw/zinc/28/15/16/582281516.db2.gz PAFFMYFJXLFCKG-UHFFFAOYSA-N 1 2 298.347 -1.006 20 0 CAADLO Cn1c[nH+]c(CNC(=O)C2CN(S(C)(=O)=O)C2)c1 ZINC000890100333 582281614 /nfs/dbraw/zinc/28/16/14/582281614.db2.gz SJYNBKUAGFEDLI-UHFFFAOYSA-N 1 2 272.330 -1.072 20 0 CAADLO CNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1ncnn1)C2 ZINC001095419020 782186527 /nfs/dbraw/zinc/18/65/27/782186527.db2.gz LGYKLPCWVUHDCO-UTLUCORTSA-N 1 2 293.331 -1.859 20 0 CAADLO CNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1ncnn1)C2 ZINC001095419020 782186535 /nfs/dbraw/zinc/18/65/35/782186535.db2.gz LGYKLPCWVUHDCO-UTLUCORTSA-N 1 2 293.331 -1.859 20 0 CAADLO OCC[NH+]1CCN(c2nccnc2-c2nn[nH]n2)CC1 ZINC000095251695 598336159 /nfs/dbraw/zinc/33/61/59/598336159.db2.gz OFNYVEVZOFUCQM-UHFFFAOYSA-N 1 2 276.304 -1.229 20 0 CAADLO CC(=O)N1CC[NH+]([C@H]2CCN(C(=O)CC(N)=O)C2)CC1 ZINC000956567919 613418506 /nfs/dbraw/zinc/41/85/06/613418506.db2.gz URSFKXUOZXJYKK-NSHDSACASA-N 1 2 282.344 -1.373 20 0 CAADLO CC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)CC(N)=O)CC2)C1 ZINC000956584805 613461959 /nfs/dbraw/zinc/46/19/59/613461959.db2.gz AYZGXRZRMDIZFI-LLVKDONJSA-N 1 2 282.344 -1.373 20 0 CAADLO CC(=O)N1CC[C@H](C(=O)N[C@@H](C)C2C[NH+](CC(N)=O)C2)C1 ZINC000970805864 613522882 /nfs/dbraw/zinc/52/28/82/613522882.db2.gz FYECWNOALWNFQL-ONGXEEELSA-N 1 2 296.371 -1.223 20 0 CAADLO CC(=O)N1CC[C@H](C(=O)N[C@H](C)C2C[NH+](CC(N)=O)C2)C1 ZINC000970805862 613523029 /nfs/dbraw/zinc/52/30/29/613523029.db2.gz FYECWNOALWNFQL-KOLCDFICSA-N 1 2 296.371 -1.223 20 0 CAADLO CC(=O)N1C[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@@H](O)C1 ZINC000969413566 613657613 /nfs/dbraw/zinc/65/76/13/613657613.db2.gz VNVYQSBSIOGZOL-MNOVXSKESA-N 1 2 266.301 -1.032 20 0 CAADLO CC(=O)N1C[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H](O)C1 ZINC000968456432 613657894 /nfs/dbraw/zinc/65/78/94/613657894.db2.gz PSDSRIZXSDNGNG-ZJUUUORDSA-N 1 2 252.274 -1.409 20 0 CAADLO CC(=O)N1C[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@@H](O)C1 ZINC000969073818 613658006 /nfs/dbraw/zinc/65/80/06/613658006.db2.gz TXONOLWJUWDXAI-MNOVXSKESA-N 1 2 266.301 -1.330 20 0 CAADLO CC(=O)N1C[C@H]2OCCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)[C@H]2C1 ZINC000960174256 613672169 /nfs/dbraw/zinc/67/21/69/613672169.db2.gz XKQMMBYGISFDAL-XQQFMLRXSA-N 1 2 297.355 -1.225 20 0 CAADLO CC(=O)N1C[C@H]2OCCN(C(=O)[C@@H]3C[N@H+](C)CCO3)[C@H]2C1 ZINC000960174256 613672167 /nfs/dbraw/zinc/67/21/67/613672167.db2.gz XKQMMBYGISFDAL-XQQFMLRXSA-N 1 2 297.355 -1.225 20 0 CAADLO CC(=O)N(C)[C@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1O ZINC000958366447 613751441 /nfs/dbraw/zinc/75/14/41/613751441.db2.gz VBWIVGDLFSGKDT-QWRGUYRKSA-N 1 2 266.301 -1.067 20 0 CAADLO CC(=O)N1CC(C(=O)N[C@@H](C)C2C[NH+](CC(N)=O)C2)C1 ZINC000969568449 613760964 /nfs/dbraw/zinc/76/09/64/613760964.db2.gz IRKKAPZCVOLOIN-QMMMGPOBSA-N 1 2 282.344 -1.614 20 0 CAADLO CC(=O)N1CC(C(=O)N[C@@H]2C[N@H+](CC(N)=O)CC2(C)C)C1 ZINC000974504307 613761903 /nfs/dbraw/zinc/76/19/03/613761903.db2.gz WUEDUEBYQMAVPI-LLVKDONJSA-N 1 2 296.371 -1.223 20 0 CAADLO CC(=O)N1CC(C(=O)N[C@@H]2C[N@@H+](CC(N)=O)CC2(C)C)C1 ZINC000974504307 613761904 /nfs/dbraw/zinc/76/19/04/613761904.db2.gz WUEDUEBYQMAVPI-LLVKDONJSA-N 1 2 296.371 -1.223 20 0 CAADLO CC(=O)NC[C@@H]1C[N@@H+](CCS(C)(=O)=O)C[C@@H]1O ZINC000957780657 613794848 /nfs/dbraw/zinc/79/48/48/613794848.db2.gz VVAVLYFCRRWBHG-ZJUUUORDSA-N 1 2 264.347 -1.540 20 0 CAADLO CC(=O)NC[C@@H]1C[N@H+](CCS(C)(=O)=O)C[C@@H]1O ZINC000957780657 613794846 /nfs/dbraw/zinc/79/48/46/613794846.db2.gz VVAVLYFCRRWBHG-ZJUUUORDSA-N 1 2 264.347 -1.540 20 0 CAADLO CC(=O)NC[C@@H]1C[N@H+](CCS(C)(=O)=O)C[C@H]1O ZINC000957780654 613795523 /nfs/dbraw/zinc/79/55/23/613795523.db2.gz VVAVLYFCRRWBHG-NXEZZACHSA-N 1 2 264.347 -1.540 20 0 CAADLO CC(=O)NC[C@@H]1C[N@@H+](CCS(C)(=O)=O)C[C@H]1O ZINC000957780654 613795526 /nfs/dbraw/zinc/79/55/26/613795526.db2.gz VVAVLYFCRRWBHG-NXEZZACHSA-N 1 2 264.347 -1.540 20 0 CAADLO CC(=O)NC[C@@H]1C[N@@H+](Cc2nc(=O)n(C)[nH]2)C[C@H]1O ZINC000957779896 613798957 /nfs/dbraw/zinc/79/89/57/613798957.db2.gz GTEQSKHMTDUUIK-RKDXNWHRSA-N 1 2 269.305 -1.963 20 0 CAADLO CC(=O)NC[C@@H]1C[N@H+](Cc2nc(=O)n(C)[nH]2)C[C@H]1O ZINC000957779896 613798955 /nfs/dbraw/zinc/79/89/55/613798955.db2.gz GTEQSKHMTDUUIK-RKDXNWHRSA-N 1 2 269.305 -1.963 20 0 CAADLO CC(=O)NC[C@@H]1COCCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000964049231 613801758 /nfs/dbraw/zinc/80/17/58/613801758.db2.gz POIZRCZWALEMRD-NEPJUHHUSA-N 1 2 285.344 -1.320 20 0 CAADLO CC(=O)NC[C@@H]1COCCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000964049231 613801760 /nfs/dbraw/zinc/80/17/60/613801760.db2.gz POIZRCZWALEMRD-NEPJUHHUSA-N 1 2 285.344 -1.320 20 0 CAADLO CC(=O)NC[C@@H]1COCCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000964049240 613802093 /nfs/dbraw/zinc/80/20/93/613802093.db2.gz POIZRCZWALEMRD-VXGBXAGGSA-N 1 2 285.344 -1.320 20 0 CAADLO CC(=O)NC[C@@H]1COCCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000964049240 613802094 /nfs/dbraw/zinc/80/20/94/613802094.db2.gz POIZRCZWALEMRD-VXGBXAGGSA-N 1 2 285.344 -1.320 20 0 CAADLO CC(=O)NC[C@H]1C[N@H+](Cc2cn(C)nn2)C[C@H]1O ZINC000957786994 613930831 /nfs/dbraw/zinc/93/08/31/613930831.db2.gz BKEWPFBQIIMTJZ-GXSJLCMTSA-N 1 2 253.306 -1.256 20 0 CAADLO CC(=O)NC[C@H]1C[N@@H+](Cc2cn(C)nn2)C[C@H]1O ZINC000957786994 613930835 /nfs/dbraw/zinc/93/08/35/613930835.db2.gz BKEWPFBQIIMTJZ-GXSJLCMTSA-N 1 2 253.306 -1.256 20 0 CAADLO CC(=O)N[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1O ZINC000961072282 614035326 /nfs/dbraw/zinc/03/53/26/614035326.db2.gz AEHWXBBZSHEDOH-ZJUUUORDSA-N 1 2 252.274 -1.340 20 0 CAADLO CC(=O)N[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1O ZINC000961072466 614035577 /nfs/dbraw/zinc/03/55/77/614035577.db2.gz CORWZBQKMXGTMP-ZJUUUORDSA-N 1 2 252.274 -1.409 20 0 CAADLO CC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCNC(=O)C2)CC[C@H]1C ZINC000964508820 614048271 /nfs/dbraw/zinc/04/82/71/614048271.db2.gz CKYVJXXBTAWSST-ZYHUDNBSSA-N 1 2 296.371 -1.209 20 0 CAADLO CC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCNC(=O)C2)CC[C@H]1C ZINC000964508820 614048272 /nfs/dbraw/zinc/04/82/72/614048272.db2.gz CKYVJXXBTAWSST-ZYHUDNBSSA-N 1 2 296.371 -1.209 20 0 CAADLO CC(C)[C@@H](O)C(=O)N1CC[C@@H]([NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC000968567949 614136081 /nfs/dbraw/zinc/13/60/81/614136081.db2.gz XBXZNJPOPKNCGS-MWLCHTKSSA-N 1 2 297.359 -1.184 20 0 CAADLO CC(=O)N[C@H]1C[N@@H+](CC(=O)N2CCNC(=O)C2)CC[C@@H]1C ZINC000964508816 614169228 /nfs/dbraw/zinc/16/92/28/614169228.db2.gz CKYVJXXBTAWSST-JQWIXIFHSA-N 1 2 296.371 -1.209 20 0 CAADLO CC(=O)N[C@H]1C[N@H+](CC(=O)N2CCNC(=O)C2)CC[C@@H]1C ZINC000964508816 614169230 /nfs/dbraw/zinc/16/92/30/614169230.db2.gz CKYVJXXBTAWSST-JQWIXIFHSA-N 1 2 296.371 -1.209 20 0 CAADLO CC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3nc(=O)n(C)[nH]3)C[C@H]21 ZINC000957992523 614185788 /nfs/dbraw/zinc/18/57/88/614185788.db2.gz QBRULZLXTGNUEK-MBTKJCJQSA-N 1 2 251.290 -1.325 20 0 CAADLO CC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3nc(=O)n(C)[nH]3)C[C@H]21 ZINC000957992523 614185789 /nfs/dbraw/zinc/18/57/89/614185789.db2.gz QBRULZLXTGNUEK-MBTKJCJQSA-N 1 2 251.290 -1.325 20 0 CAADLO CC(C)n1nnnc1C[NH2+][C@@H]1CCN(C(=O)C(N)=O)C1 ZINC000969776437 614377663 /nfs/dbraw/zinc/37/76/63/614377663.db2.gz BNSDATPIESEVHE-MRVPVSSYSA-N 1 2 281.320 -1.570 20 0 CAADLO CCCn1ncnc1C[NH2+][C@@H]1CCN(C(=O)C(N)=O)C1 ZINC000969777431 614555301 /nfs/dbraw/zinc/55/53/01/614555301.db2.gz NJKFIKXJPJQFSD-SECBINFHSA-N 1 2 280.332 -1.136 20 0 CAADLO CCN(C(=O)C1CN(C(C)=O)C1)C1C[NH+](CCO)C1 ZINC000949978185 614588397 /nfs/dbraw/zinc/58/83/97/614588397.db2.gz CSZBSMRDODHSCN-UHFFFAOYSA-N 1 2 269.345 -1.010 20 0 CAADLO CCN(C(=O)[C@@H]1CC(=O)N(C)C1)C1C[NH+](CCO)C1 ZINC000950462224 614607512 /nfs/dbraw/zinc/60/75/12/614607512.db2.gz CAYDBLVHOMVNBX-SNVBAGLBSA-N 1 2 269.345 -1.010 20 0 CAADLO CCN(C(=O)[C@@H]1CCC(=O)N1)C1C[NH+](CCO)C1 ZINC000957295989 614613447 /nfs/dbraw/zinc/61/34/47/614613447.db2.gz BITTYQWXAUNZFW-JTQLQIEISA-N 1 2 255.318 -1.210 20 0 CAADLO CC1(C)C[N@H+](CC(N)=O)C[C@@H]1NC(=O)C[C@@H]1CCC(=O)N1 ZINC000977354833 614613815 /nfs/dbraw/zinc/61/38/15/614613815.db2.gz ZZPXELBTPHLBOJ-UWVGGRQHSA-N 1 2 296.371 -1.033 20 0 CAADLO CC1(C)C[N@@H+](CC(N)=O)C[C@@H]1NC(=O)C[C@@H]1CCC(=O)N1 ZINC000977354833 614613818 /nfs/dbraw/zinc/61/38/18/614613818.db2.gz ZZPXELBTPHLBOJ-UWVGGRQHSA-N 1 2 296.371 -1.033 20 0 CAADLO CC1(C)C[N@H+](CC(N)=O)C[C@@H]1NC(=O)CN1CCOCC1 ZINC000973055389 614613910 /nfs/dbraw/zinc/61/39/10/614613910.db2.gz YNGLBAORIZHWOC-NSHDSACASA-N 1 2 298.387 -1.370 20 0 CAADLO CC1(C)C[N@@H+](CC(N)=O)C[C@@H]1NC(=O)CN1CCOCC1 ZINC000973055389 614613914 /nfs/dbraw/zinc/61/39/14/614613914.db2.gz YNGLBAORIZHWOC-NSHDSACASA-N 1 2 298.387 -1.370 20 0 CAADLO CC1(C)C[N@H+](CC(N)=O)C[C@@H]1NC(=O)C[C@@H]1CCNC1=O ZINC000974668425 614614492 /nfs/dbraw/zinc/61/44/92/614614492.db2.gz ZEBMROTVGJHEMP-UWVGGRQHSA-N 1 2 296.371 -1.176 20 0 CAADLO CC1(C)C[N@@H+](CC(N)=O)C[C@@H]1NC(=O)C[C@@H]1CCNC1=O ZINC000974668425 614614494 /nfs/dbraw/zinc/61/44/94/614614494.db2.gz ZEBMROTVGJHEMP-UWVGGRQHSA-N 1 2 296.371 -1.176 20 0 CAADLO CC1(C)C[N@H+](CC(N)=O)C[C@@H]1NC(=O)[C@H]1COC(=O)N1 ZINC000974536902 614614516 /nfs/dbraw/zinc/61/45/16/614614516.db2.gz LFABBEGACRZTEQ-SFYZADRCSA-N 1 2 284.316 -1.593 20 0 CAADLO CC1(C)C[N@@H+](CC(N)=O)C[C@@H]1NC(=O)[C@H]1COC(=O)N1 ZINC000974536902 614614518 /nfs/dbraw/zinc/61/45/18/614614518.db2.gz LFABBEGACRZTEQ-SFYZADRCSA-N 1 2 284.316 -1.593 20 0 CAADLO CC1(C)C[N@H+](CC(N)=O)C[C@@H]1NC(=O)Cn1ncnn1 ZINC000974603793 614614522 /nfs/dbraw/zinc/61/45/22/614614522.db2.gz ODZMIHHWEWSQGR-QMMMGPOBSA-N 1 2 281.320 -2.015 20 0 CAADLO CC1(C)C[N@@H+](CC(N)=O)C[C@@H]1NC(=O)Cn1ncnn1 ZINC000974603793 614614524 /nfs/dbraw/zinc/61/45/24/614614524.db2.gz ODZMIHHWEWSQGR-QMMMGPOBSA-N 1 2 281.320 -2.015 20 0 CAADLO CC1(C)C[N@H+](CC(N)=O)C[C@@H]1NC(=O)Cn1nccn1 ZINC000974630880 614614636 /nfs/dbraw/zinc/61/46/36/614614636.db2.gz JBQMNGAZNYRDHE-VIFPVBQESA-N 1 2 280.332 -1.410 20 0 CAADLO CC1(C)C[N@@H+](CC(N)=O)C[C@@H]1NC(=O)Cn1nccn1 ZINC000974630880 614614638 /nfs/dbraw/zinc/61/46/38/614614638.db2.gz JBQMNGAZNYRDHE-VIFPVBQESA-N 1 2 280.332 -1.410 20 0 CAADLO CC1(C)C[N@H+](CC(N)=O)C[C@@H]1NC(=O)[C@H]1CCNC1=O ZINC000974913460 614614711 /nfs/dbraw/zinc/61/47/11/614614711.db2.gz NACXGEFWOGEFRO-IUCAKERBSA-N 1 2 282.344 -1.566 20 0 CAADLO CC1(C)C[N@@H+](CC(N)=O)C[C@@H]1NC(=O)[C@H]1CCNC1=O ZINC000974913460 614614713 /nfs/dbraw/zinc/61/47/13/614614713.db2.gz NACXGEFWOGEFRO-IUCAKERBSA-N 1 2 282.344 -1.566 20 0 CAADLO CC1(C)C[N@H+](CC(N)=O)C[C@@H]1NC(=O)[C@@H]1CCNC1=O ZINC000974913457 614614806 /nfs/dbraw/zinc/61/48/06/614614806.db2.gz NACXGEFWOGEFRO-BDAKNGLRSA-N 1 2 282.344 -1.566 20 0 CAADLO CC1(C)C[N@@H+](CC(N)=O)C[C@@H]1NC(=O)[C@@H]1CCNC1=O ZINC000974913457 614614807 /nfs/dbraw/zinc/61/48/07/614614807.db2.gz NACXGEFWOGEFRO-BDAKNGLRSA-N 1 2 282.344 -1.566 20 0 CAADLO CC1(C)C[N@H+](CC(N)=O)C[C@@H]1NC(=O)[C@@]1(C)CCNC1=O ZINC000975039558 614614966 /nfs/dbraw/zinc/61/49/66/614614966.db2.gz MYFKMBJKTKGOEO-XPTSAGLGSA-N 1 2 296.371 -1.176 20 0 CAADLO CC1(C)C[N@@H+](CC(N)=O)C[C@@H]1NC(=O)[C@@]1(C)CCNC1=O ZINC000975039558 614614968 /nfs/dbraw/zinc/61/49/68/614614968.db2.gz MYFKMBJKTKGOEO-XPTSAGLGSA-N 1 2 296.371 -1.176 20 0 CAADLO CC1(C)C[N@H+](CC(N)=O)C[C@@H]1NC(=O)[C@@H]1COCCO1 ZINC000972816293 614615195 /nfs/dbraw/zinc/61/51/95/614615195.db2.gz ANGGGWJIVMFAEO-UWVGGRQHSA-N 1 2 285.344 -1.286 20 0 CAADLO CC1(C)C[N@@H+](CC(N)=O)C[C@@H]1NC(=O)[C@@H]1COCCO1 ZINC000972816293 614615196 /nfs/dbraw/zinc/61/51/96/614615196.db2.gz ANGGGWJIVMFAEO-UWVGGRQHSA-N 1 2 285.344 -1.286 20 0 CAADLO CC1(C)C[N@H+](CC(N)=O)C[C@@H]1NC(=O)[C@H]1CCCC(=O)N1 ZINC000974716081 614615292 /nfs/dbraw/zinc/61/52/92/614615292.db2.gz JOCSTASBPAEMQJ-ZJUUUORDSA-N 1 2 296.371 -1.033 20 0 CAADLO CC1(C)C[N@@H+](CC(N)=O)C[C@@H]1NC(=O)[C@H]1CCCC(=O)N1 ZINC000974716081 614615294 /nfs/dbraw/zinc/61/52/94/614615294.db2.gz JOCSTASBPAEMQJ-ZJUUUORDSA-N 1 2 296.371 -1.033 20 0 CAADLO CC1(C)C[N@H+](CC(N)=O)C[C@H]1NC(=O)CN1CCOCC1 ZINC000973055388 614616471 /nfs/dbraw/zinc/61/64/71/614616471.db2.gz YNGLBAORIZHWOC-LLVKDONJSA-N 1 2 298.387 -1.370 20 0 CAADLO CC1(C)C[N@@H+](CC(N)=O)C[C@H]1NC(=O)CN1CCOCC1 ZINC000973055388 614616473 /nfs/dbraw/zinc/61/64/73/614616473.db2.gz YNGLBAORIZHWOC-LLVKDONJSA-N 1 2 298.387 -1.370 20 0 CAADLO CC1(C)C[N@H+](CC(N)=O)C[C@H]1NC(=O)[C@@H]1CCNC(=O)C1 ZINC000973015105 614616534 /nfs/dbraw/zinc/61/65/34/614616534.db2.gz GJNNXPZLLUGROZ-NXEZZACHSA-N 1 2 296.371 -1.176 20 0 CAADLO CC1(C)C[N@@H+](CC(N)=O)C[C@H]1NC(=O)[C@@H]1CCNC(=O)C1 ZINC000973015105 614616536 /nfs/dbraw/zinc/61/65/36/614616536.db2.gz GJNNXPZLLUGROZ-NXEZZACHSA-N 1 2 296.371 -1.176 20 0 CAADLO CC1(C)C[N@H+](CC(N)=O)C[C@H]1NC(=O)C[C@@H]1CCNC1=O ZINC000974668426 614616645 /nfs/dbraw/zinc/61/66/45/614616645.db2.gz ZEBMROTVGJHEMP-VHSXEESVSA-N 1 2 296.371 -1.176 20 0 CAADLO CC1(C)C[N@@H+](CC(N)=O)C[C@H]1NC(=O)C[C@@H]1CCNC1=O ZINC000974668426 614616646 /nfs/dbraw/zinc/61/66/46/614616646.db2.gz ZEBMROTVGJHEMP-VHSXEESVSA-N 1 2 296.371 -1.176 20 0 CAADLO CC1(C)C[N@H+](CC(N)=O)C[C@H]1NC(=O)[C@@H]1CCNC1=O ZINC000974913462 614616705 /nfs/dbraw/zinc/61/67/05/614616705.db2.gz NACXGEFWOGEFRO-RKDXNWHRSA-N 1 2 282.344 -1.566 20 0 CAADLO CC1(C)C[N@@H+](CC(N)=O)C[C@H]1NC(=O)[C@@H]1CCNC1=O ZINC000974913462 614616708 /nfs/dbraw/zinc/61/67/08/614616708.db2.gz NACXGEFWOGEFRO-RKDXNWHRSA-N 1 2 282.344 -1.566 20 0 CAADLO CC1(C)C[N@H+](CC(N)=O)C[C@H]1NC(=O)[C@@H]1COC(=O)N1 ZINC000974536900 614616774 /nfs/dbraw/zinc/61/67/74/614616774.db2.gz LFABBEGACRZTEQ-JGVFFNPUSA-N 1 2 284.316 -1.593 20 0 CAADLO CC1(C)C[N@@H+](CC(N)=O)C[C@H]1NC(=O)[C@@H]1COC(=O)N1 ZINC000974536900 614616778 /nfs/dbraw/zinc/61/67/78/614616778.db2.gz LFABBEGACRZTEQ-JGVFFNPUSA-N 1 2 284.316 -1.593 20 0 CAADLO CC1(C)C[N@H+](CC(N)=O)C[C@H]1NC(=O)[C@@]1(C)CCNC1=O ZINC000975039555 614616791 /nfs/dbraw/zinc/61/67/91/614616791.db2.gz MYFKMBJKTKGOEO-OTYXRUKQSA-N 1 2 296.371 -1.176 20 0 CAADLO CC1(C)C[N@@H+](CC(N)=O)C[C@H]1NC(=O)[C@@]1(C)CCNC1=O ZINC000975039555 614616794 /nfs/dbraw/zinc/61/67/94/614616794.db2.gz MYFKMBJKTKGOEO-OTYXRUKQSA-N 1 2 296.371 -1.176 20 0 CAADLO CC1(C)C[N@H+](CC(N)=O)C[C@H]1NC(=O)[C@@]1(C)CNC(=O)C1 ZINC000974870473 614616861 /nfs/dbraw/zinc/61/68/61/614616861.db2.gz VGATVXLLAVBCRO-YMTOWFKASA-N 1 2 296.371 -1.176 20 0 CAADLO CC1(C)C[N@@H+](CC(N)=O)C[C@H]1NC(=O)[C@@]1(C)CNC(=O)C1 ZINC000974870473 614616866 /nfs/dbraw/zinc/61/68/66/614616866.db2.gz VGATVXLLAVBCRO-YMTOWFKASA-N 1 2 296.371 -1.176 20 0 CAADLO CC1(C)C[N@H+](CC(N)=O)C[C@H]1NC(=O)[C@H]1CCC(=O)N1 ZINC000972863198 614617809 /nfs/dbraw/zinc/61/78/09/614617809.db2.gz YKFXVOSTDGSZGA-RKDXNWHRSA-N 1 2 282.344 -1.423 20 0 CAADLO CC1(C)C[N@@H+](CC(N)=O)C[C@H]1NC(=O)[C@H]1CCC(=O)N1 ZINC000972863198 614617811 /nfs/dbraw/zinc/61/78/11/614617811.db2.gz YKFXVOSTDGSZGA-RKDXNWHRSA-N 1 2 282.344 -1.423 20 0 CAADLO CC1(C)C[N@H+](CC(N)=O)C[C@H]1NC(=O)[C@]1(C)CNC(=O)C1 ZINC000974870462 614617921 /nfs/dbraw/zinc/61/79/21/614617921.db2.gz VGATVXLLAVBCRO-OTYXRUKQSA-N 1 2 296.371 -1.176 20 0 CAADLO CC1(C)C[N@@H+](CC(N)=O)C[C@H]1NC(=O)[C@]1(C)CNC(=O)C1 ZINC000974870462 614617922 /nfs/dbraw/zinc/61/79/22/614617922.db2.gz VGATVXLLAVBCRO-OTYXRUKQSA-N 1 2 296.371 -1.176 20 0 CAADLO CC1(C)C[N@H+](CC(N)=O)C[C@H]1NC(=O)[C@H]1C[C@H]1C(N)=O ZINC000975062060 614617974 /nfs/dbraw/zinc/61/79/74/614617974.db2.gz FXUBGNPVLIJUOC-HRDYMLBCSA-N 1 2 282.344 -1.580 20 0 CAADLO CC1(C)C[N@@H+](CC(N)=O)C[C@H]1NC(=O)[C@H]1C[C@H]1C(N)=O ZINC000975062060 614617975 /nfs/dbraw/zinc/61/79/75/614617975.db2.gz FXUBGNPVLIJUOC-HRDYMLBCSA-N 1 2 282.344 -1.580 20 0 CAADLO CC1(C)C[N@H+](CC(N)=O)C[C@H]1NC(=O)[C@H]1CCC(=O)NC1 ZINC000974767237 614618031 /nfs/dbraw/zinc/61/80/31/614618031.db2.gz OCQSKQQLHVFAAV-VHSXEESVSA-N 1 2 296.371 -1.176 20 0 CAADLO CC1(C)C[N@@H+](CC(N)=O)C[C@H]1NC(=O)[C@H]1CCC(=O)NC1 ZINC000974767237 614618032 /nfs/dbraw/zinc/61/80/32/614618032.db2.gz OCQSKQQLHVFAAV-VHSXEESVSA-N 1 2 296.371 -1.176 20 0 CAADLO CC1(C)C[N@H+](CC(N)=O)C[C@H]1NC(=O)[C@H]1COC(=O)N1 ZINC000974536898 614618064 /nfs/dbraw/zinc/61/80/64/614618064.db2.gz LFABBEGACRZTEQ-HTQZYQBOSA-N 1 2 284.316 -1.593 20 0 CAADLO CC1(C)C[N@@H+](CC(N)=O)C[C@H]1NC(=O)[C@H]1COC(=O)N1 ZINC000974536898 614618066 /nfs/dbraw/zinc/61/80/66/614618066.db2.gz LFABBEGACRZTEQ-HTQZYQBOSA-N 1 2 284.316 -1.593 20 0 CAADLO CCN(C(=O)[C@@H]1CCN(C)C1=O)C1C[NH+](CCO)C1 ZINC000951196994 614626576 /nfs/dbraw/zinc/62/65/76/614626576.db2.gz KFSLLVFDCVJGBY-LLVKDONJSA-N 1 2 269.345 -1.010 20 0 CAADLO CCN(C(=O)[C@@H]1CN(C(C)=O)CCO1)C1C[NH+](CCO)C1 ZINC000957343349 614635526 /nfs/dbraw/zinc/63/55/26/614635526.db2.gz IGWBJQOMYRUQTJ-ZDUSSCGKSA-N 1 2 299.371 -1.241 20 0 CAADLO CCN(C(=O)[C@@H]1C[N@H+](C)CCO1)C1CN([C@H](C)C(N)=O)C1 ZINC000949830274 614635582 /nfs/dbraw/zinc/63/55/82/614635582.db2.gz HTEDYKWIFPCHCW-PWSUYJOCSA-N 1 2 298.387 -1.277 20 0 CAADLO CCN(C(=O)[C@@H]1C[N@@H+](C)CCO1)C1CN([C@H](C)C(N)=O)C1 ZINC000949830274 614635583 /nfs/dbraw/zinc/63/55/83/614635583.db2.gz HTEDYKWIFPCHCW-PWSUYJOCSA-N 1 2 298.387 -1.277 20 0 CAADLO CCN(C(=O)[C@@H]1CNC(=O)N1)C1C[NH+](CCO)C1 ZINC000951583776 614637668 /nfs/dbraw/zinc/63/76/68/614637668.db2.gz JFCGIPUKCKOLPK-VIFPVBQESA-N 1 2 256.306 -1.807 20 0 CAADLO CCN(C(=O)[C@@H]1COCCN1C(C)=O)C1C[NH+](CCO)C1 ZINC000957404738 614638284 /nfs/dbraw/zinc/63/82/84/614638284.db2.gz QUMJEKTZOSEOHA-ZDUSSCGKSA-N 1 2 299.371 -1.241 20 0 CAADLO CCN(C(=O)[C@@H]1COCCO1)C1C[NH+](CCO)C1 ZINC000949706768 614639270 /nfs/dbraw/zinc/63/92/70/614639270.db2.gz RQQHXOSZPWRTSM-NSHDSACASA-N 1 2 258.318 -1.073 20 0 CAADLO CC1(C)C[N@H+](CCO)C[C@@H]1NC(=O)C1CS(=O)(=O)C1 ZINC000974621200 614660852 /nfs/dbraw/zinc/66/08/52/614660852.db2.gz MUSWFMLQKINKHN-JTQLQIEISA-N 1 2 290.385 -1.150 20 0 CAADLO CC1(C)C[N@@H+](CCO)C[C@@H]1NC(=O)C1CS(=O)(=O)C1 ZINC000974621200 614660853 /nfs/dbraw/zinc/66/08/53/614660853.db2.gz MUSWFMLQKINKHN-JTQLQIEISA-N 1 2 290.385 -1.150 20 0 CAADLO CCN(C(=O)[C@H]1CCN(C)C1=O)C1C[NH+](CCO)C1 ZINC000951196995 614677511 /nfs/dbraw/zinc/67/75/11/614677511.db2.gz KFSLLVFDCVJGBY-NSHDSACASA-N 1 2 269.345 -1.010 20 0 CAADLO CCN(C(=O)[C@H]1CCS(=O)(=O)N1)C1C[NH+](CCO)C1 ZINC000957404923 614680863 /nfs/dbraw/zinc/68/08/63/614680863.db2.gz VTOBKPLIERMZQY-SNVBAGLBSA-N 1 2 291.373 -1.797 20 0 CAADLO CC1(C)C[N@@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1NC(=O)C(N)=O ZINC000974998478 614681784 /nfs/dbraw/zinc/68/17/84/614681784.db2.gz SHBAOORYAUATJC-HTQZYQBOSA-N 1 2 296.327 -1.897 20 0 CAADLO CC1(C)C[N@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1NC(=O)C(N)=O ZINC000974998478 614681787 /nfs/dbraw/zinc/68/17/87/614681787.db2.gz SHBAOORYAUATJC-HTQZYQBOSA-N 1 2 296.327 -1.897 20 0 CAADLO CC1(C)C[N@@H+]([C@@H]2CCC(=O)NC2=O)C[C@@H]1NC(=O)C(N)=O ZINC000974998481 614682240 /nfs/dbraw/zinc/68/22/40/614682240.db2.gz SHBAOORYAUATJC-SFYZADRCSA-N 1 2 296.327 -1.897 20 0 CAADLO CC1(C)C[N@H+]([C@@H]2CCC(=O)NC2=O)C[C@@H]1NC(=O)C(N)=O ZINC000974998481 614682243 /nfs/dbraw/zinc/68/22/43/614682243.db2.gz SHBAOORYAUATJC-SFYZADRCSA-N 1 2 296.327 -1.897 20 0 CAADLO CC1(C)C[N@@H+]([C@H]2CCNC2=O)C[C@H]1NC(=O)C(N)=O ZINC000974999815 614683120 /nfs/dbraw/zinc/68/31/20/614683120.db2.gz VTDGOVBUCBFPQO-JGVFFNPUSA-N 1 2 268.317 -1.813 20 0 CAADLO CC1(C)C[N@H+]([C@H]2CCNC2=O)C[C@H]1NC(=O)C(N)=O ZINC000974999815 614683121 /nfs/dbraw/zinc/68/31/21/614683121.db2.gz VTDGOVBUCBFPQO-JGVFFNPUSA-N 1 2 268.317 -1.813 20 0 CAADLO CCN(C(=O)[C@H]1C[N@H+](C)CCO1)C1CN(CC(=O)NC)C1 ZINC000949830249 614684178 /nfs/dbraw/zinc/68/41/78/614684178.db2.gz HAMMWBBTTRQBJP-GFCCVEGCSA-N 1 2 298.387 -1.404 20 0 CAADLO CCN(C(=O)[C@H]1C[N@@H+](C)CCO1)C1CN(CC(=O)NC)C1 ZINC000949830249 614684182 /nfs/dbraw/zinc/68/41/82/614684182.db2.gz HAMMWBBTTRQBJP-GFCCVEGCSA-N 1 2 298.387 -1.404 20 0 CAADLO CCN(C(=O)[C@H]1CNC(=O)N1)C1C[NH+](CCO)C1 ZINC000951583775 614685899 /nfs/dbraw/zinc/68/58/99/614685899.db2.gz JFCGIPUKCKOLPK-SECBINFHSA-N 1 2 256.306 -1.807 20 0 CAADLO CCN(C(=O)[C@H]1COCCN1C(C)=O)C1C[NH+](CCO)C1 ZINC000957404737 614686534 /nfs/dbraw/zinc/68/65/34/614686534.db2.gz QUMJEKTZOSEOHA-CYBMUJFWSA-N 1 2 299.371 -1.241 20 0 CAADLO CCN(C(=O)c1nnn(C)n1)C1C[NH+](CCCO)C1 ZINC000951186719 614800286 /nfs/dbraw/zinc/80/02/86/614800286.db2.gz PULSFUWCRYGKAL-UHFFFAOYSA-N 1 2 268.321 -1.261 20 0 CAADLO CCN(C(=O)c1cn(CC(N)=O)nn1)C1C[NH+](CC)C1 ZINC000957424369 615085381 /nfs/dbraw/zinc/08/53/81/615085381.db2.gz QBVIWRYTZKGCTM-UHFFFAOYSA-N 1 2 280.332 -1.070 20 0 CAADLO CCN1CCOC[C@H]1C(=O)N[C@@H](C)C1C[NH+](CC(N)=O)C1 ZINC000970000969 615167873 /nfs/dbraw/zinc/16/78/73/615167873.db2.gz OPWUWOAIVZUCRI-JQWIXIFHSA-N 1 2 298.387 -1.371 20 0 CAADLO CCN1C[C@H](C(=O)N[C@H](C)C2C[NH+](CC(N)=O)C2)CC1=O ZINC000969799210 615390449 /nfs/dbraw/zinc/39/04/49/615390449.db2.gz VIRMOJKWHWYMKN-NXEZZACHSA-N 1 2 296.371 -1.223 20 0 CAADLO CC[C@@H](C(N)=O)[N@@H+]1CCCN(C(=O)c2nnn(C)n2)CC1 ZINC000981778011 615400071 /nfs/dbraw/zinc/40/00/71/615400071.db2.gz YUNQACIXXZDHLE-VIFPVBQESA-N 1 2 295.347 -1.378 20 0 CAADLO CC[C@@H](C(N)=O)[N@H+]1CCCN(C(=O)c2nnn(C)n2)CC1 ZINC000981778011 615400074 /nfs/dbraw/zinc/40/00/74/615400074.db2.gz YUNQACIXXZDHLE-VIFPVBQESA-N 1 2 295.347 -1.378 20 0 CAADLO CC[C@@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ncn[nH]1 ZINC000962079563 615404277 /nfs/dbraw/zinc/40/42/77/615404277.db2.gz CFQOHZYZAVNVOJ-UYXSQOIJSA-N 1 2 278.316 -1.271 20 0 CAADLO CC[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ncn[nH]1 ZINC000962079563 615404278 /nfs/dbraw/zinc/40/42/78/615404278.db2.gz CFQOHZYZAVNVOJ-UYXSQOIJSA-N 1 2 278.316 -1.271 20 0 CAADLO CC[C@@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1nc[nH]n1 ZINC000962079563 615404280 /nfs/dbraw/zinc/40/42/80/615404280.db2.gz CFQOHZYZAVNVOJ-UYXSQOIJSA-N 1 2 278.316 -1.271 20 0 CAADLO CC[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1nc[nH]n1 ZINC000962079563 615404282 /nfs/dbraw/zinc/40/42/82/615404282.db2.gz CFQOHZYZAVNVOJ-UYXSQOIJSA-N 1 2 278.316 -1.271 20 0 CAADLO CC[C@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1nnc[nH]1 ZINC000962262138 615622668 /nfs/dbraw/zinc/62/26/68/615622668.db2.gz MBVQDPJACFMTFP-SREGZZRCSA-N 1 2 292.343 -1.343 20 0 CAADLO CC[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1nnc[nH]1 ZINC000962262138 615622669 /nfs/dbraw/zinc/62/26/69/615622669.db2.gz MBVQDPJACFMTFP-SREGZZRCSA-N 1 2 292.343 -1.343 20 0 CAADLO CCn1nncc1C(=O)N[C@H](C)C1C[NH+](CC(N)=O)C1 ZINC000969609363 615749897 /nfs/dbraw/zinc/74/98/97/615749897.db2.gz RSGZMRXHJPARJU-MRVPVSSYSA-N 1 2 280.332 -1.167 20 0 CAADLO CCc1nnc([C@H](C)[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C(N)=O)[nH]1 ZINC000961648798 615756075 /nfs/dbraw/zinc/75/60/75/615756075.db2.gz NCQDWIMZDZETAY-QHOPCYEYSA-N 1 2 292.343 -1.040 20 0 CAADLO CCc1nnc([C@H](C)[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C(N)=O)[nH]1 ZINC000961648798 615756077 /nfs/dbraw/zinc/75/60/77/615756077.db2.gz NCQDWIMZDZETAY-QHOPCYEYSA-N 1 2 292.343 -1.040 20 0 CAADLO CN(C(=O)C(C)(C)c1c[nH+]c[nH]1)C1CN(C(=O)C(N)=O)C1 ZINC000954845316 615768249 /nfs/dbraw/zinc/76/82/49/615768249.db2.gz ZQEWJQMEXDLTSU-UHFFFAOYSA-N 1 2 293.327 -1.158 20 0 CAADLO CN(C(=O)C(N)=O)C1CN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000955160625 615774665 /nfs/dbraw/zinc/77/46/65/615774665.db2.gz UCDCYLPXEPKWFG-UHFFFAOYSA-N 1 2 279.300 -1.503 20 0 CAADLO CN(C(=O)C(N)=O)C1CN(C(=O)CCc2[nH+]ccn2C)C1 ZINC000955159131 615774777 /nfs/dbraw/zinc/77/47/77/615774777.db2.gz XPKJUEJFCSNOKV-UHFFFAOYSA-N 1 2 293.327 -1.493 20 0 CAADLO CN(C(=O)C(N)=O)[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000984364334 615775961 /nfs/dbraw/zinc/77/59/61/615775961.db2.gz KQBPQNUVUSTQRK-SNVBAGLBSA-N 1 2 293.327 -1.182 20 0 CAADLO CN(C(=O)C(N)=O)[C@@H]1CCC[N@H+](Cc2nnnn2C)CC1 ZINC000948734162 615776509 /nfs/dbraw/zinc/77/65/09/615776509.db2.gz PQEMDCZOHVKRNL-SECBINFHSA-N 1 2 295.347 -1.492 20 0 CAADLO CN(C(=O)C(N)=O)[C@@H]1CCC[N@@H+](Cc2nnnn2C)CC1 ZINC000948734162 615776510 /nfs/dbraw/zinc/77/65/10/615776510.db2.gz PQEMDCZOHVKRNL-SECBINFHSA-N 1 2 295.347 -1.492 20 0 CAADLO CN(C(=O)C(N)=O)[C@@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000937260266 615776921 /nfs/dbraw/zinc/77/69/21/615776921.db2.gz UPWYJYFMYOYVQX-SECBINFHSA-N 1 2 293.327 -1.113 20 0 CAADLO CN(C(=O)C(N)=O)[C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC000938906575 615777378 /nfs/dbraw/zinc/77/73/78/615777378.db2.gz WXLYOIPBFLGAAS-SECBINFHSA-N 1 2 293.327 -1.493 20 0 CAADLO CN(C(=O)C(N)=O)[C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000984565926 615778172 /nfs/dbraw/zinc/77/81/72/615778172.db2.gz HETPXHOFKUOVKU-VIFPVBQESA-N 1 2 293.327 -1.113 20 0 CAADLO CN(C(=O)C(N)=O)[C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC000938715830 615779687 /nfs/dbraw/zinc/77/96/87/615779687.db2.gz YUIQBUDFULIYIQ-JTQLQIEISA-N 1 2 293.327 -1.113 20 0 CAADLO CN(C(=O)C(N)=O)[C@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC000938715830 615779690 /nfs/dbraw/zinc/77/96/90/615779690.db2.gz YUIQBUDFULIYIQ-JTQLQIEISA-N 1 2 293.327 -1.113 20 0 CAADLO CN(C(=O)C(N)=O)[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000938780114 615779986 /nfs/dbraw/zinc/77/99/86/615779986.db2.gz PAIXAOCOHMVDCY-VIFPVBQESA-N 1 2 279.300 -1.572 20 0 CAADLO CN(C(=O)C(N)=O)[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000939306022 615779995 /nfs/dbraw/zinc/77/99/95/615779995.db2.gz DVLFWEUXOWADPS-QMMMGPOBSA-N 1 2 279.300 -1.503 20 0 CAADLO CN(C(=O)Cc1c[nH+]c[nH]1)C1CN(C(=O)CC(N)=O)C1 ZINC000955445320 615826811 /nfs/dbraw/zinc/82/68/11/615826811.db2.gz XXYYRVSVJPBLDB-UHFFFAOYSA-N 1 2 279.300 -1.503 20 0 CAADLO CN(C(=O)Cc1c[nH+]c[nH]1)C1CN(C(=O)C(N)=O)C1 ZINC000955441180 615827059 /nfs/dbraw/zinc/82/70/59/615827059.db2.gz BGSFPHQUVVLRJC-UHFFFAOYSA-N 1 2 265.273 -1.893 20 0 CAADLO CN(C(=O)Cc1c[nH+]cn1C)[C@@H]1CCN(C(=O)C(N)=O)C1 ZINC000939368850 615827559 /nfs/dbraw/zinc/82/75/59/615827559.db2.gz CLSKXKQOOXHCPJ-SECBINFHSA-N 1 2 293.327 -1.493 20 0 CAADLO CN(C(=O)Cc1c[nH+]c[nH]1)[C@H]1CCN(C(=O)CC(N)=O)C1 ZINC000936964736 615827713 /nfs/dbraw/zinc/82/77/13/615827713.db2.gz BKATZGKFXHHJKR-JTQLQIEISA-N 1 2 293.327 -1.113 20 0 CAADLO CN(C(=O)Cc1c[nH+]cn1C)C1CN(C(=O)CC(N)=O)C1 ZINC000954834474 615827791 /nfs/dbraw/zinc/82/77/91/615827791.db2.gz BKGPDLKJQGXIKL-UHFFFAOYSA-N 1 2 293.327 -1.493 20 0 CAADLO CN(C(=O)Cc1[nH]cc[nH+]1)[C@H]1CCN(C(=O)C(N)=O)C1 ZINC000939369407 615829477 /nfs/dbraw/zinc/82/94/77/615829477.db2.gz KSTNFWZNUMJVNQ-QMMMGPOBSA-N 1 2 279.300 -1.503 20 0 CAADLO CN(C(=O)Cc1[nH]cc[nH+]1)[C@@H]1CCN(C(=O)C(N)=O)C1 ZINC000939369406 615829529 /nfs/dbraw/zinc/82/95/29/615829529.db2.gz KSTNFWZNUMJVNQ-MRVPVSSYSA-N 1 2 279.300 -1.503 20 0 CAADLO CN(C(=O)Cn1cc[nH+]c1)C1CN(C(=O)c2cn[nH]n2)C1 ZINC000954670604 615830243 /nfs/dbraw/zinc/83/02/43/615830243.db2.gz RWOMMLQFYPTCMU-UHFFFAOYSA-N 1 2 289.299 -1.016 20 0 CAADLO CN(C(=O)Cn1cc[nH+]c1)C1CN(C(=O)C(N)=O)C1 ZINC000954660787 615830334 /nfs/dbraw/zinc/83/03/34/615830334.db2.gz CANQCUAMHXYFFU-UHFFFAOYSA-N 1 2 265.273 -1.962 20 0 CAADLO CN(C(=O)Cn1cc[nH+]c1)[C@@H]1CCN(C(=O)C(N)=O)C1 ZINC000939389073 615830890 /nfs/dbraw/zinc/83/08/90/615830890.db2.gz CEFXMVMSDGJCDS-SECBINFHSA-N 1 2 279.300 -1.572 20 0 CAADLO CCn1cc(C(=O)N[C@@H](C)C2C[NH+](CC(N)=O)C2)nn1 ZINC000970659047 615951704 /nfs/dbraw/zinc/95/17/04/615951704.db2.gz JELYFLCAYXZVEX-QMMMGPOBSA-N 1 2 280.332 -1.167 20 0 CAADLO CN(C)C(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2COC(=O)N2)CC1 ZINC000981074679 615961640 /nfs/dbraw/zinc/96/16/40/615961640.db2.gz ZHOBAWDRJUDFAP-JTQLQIEISA-N 1 2 298.343 -1.283 20 0 CAADLO CN(C)C(=O)C[N@H+]1CCCN(C(=O)[C@@H]2COC(=O)N2)CC1 ZINC000981074679 615961642 /nfs/dbraw/zinc/96/16/42/615961642.db2.gz ZHOBAWDRJUDFAP-JTQLQIEISA-N 1 2 298.343 -1.283 20 0 CAADLO CN(C)C(=O)C[N@@H+]1CCCN(C(=O)[C@H]2CCNC2=O)CC1 ZINC000981749889 615961786 /nfs/dbraw/zinc/96/17/86/615961786.db2.gz LSGAWAZJMITCHF-NSHDSACASA-N 1 2 296.371 -1.255 20 0 CAADLO CN(C)C(=O)C[N@H+]1CCCN(C(=O)[C@H]2CCNC2=O)CC1 ZINC000981749889 615961787 /nfs/dbraw/zinc/96/17/87/615961787.db2.gz LSGAWAZJMITCHF-NSHDSACASA-N 1 2 296.371 -1.255 20 0 CAADLO CN(C)C(=O)C[N@@H+]1CCCN(C(=O)[C@H]2CNC(=O)N2)CC1 ZINC000981850357 615961871 /nfs/dbraw/zinc/96/18/71/615961871.db2.gz FRMUTAMCHRPSGO-SNVBAGLBSA-N 1 2 297.359 -1.710 20 0 CAADLO CN(C)C(=O)C[N@H+]1CCCN(C(=O)[C@H]2CNC(=O)N2)CC1 ZINC000981850357 615961872 /nfs/dbraw/zinc/96/18/72/615961872.db2.gz FRMUTAMCHRPSGO-SNVBAGLBSA-N 1 2 297.359 -1.710 20 0 CAADLO CN(C)C(=O)C[N@@H+]1CCCN(C(=O)[C@H]2COC(=O)N2)CC1 ZINC000981074680 615961905 /nfs/dbraw/zinc/96/19/05/615961905.db2.gz ZHOBAWDRJUDFAP-SNVBAGLBSA-N 1 2 298.343 -1.283 20 0 CAADLO CN(C)C(=O)C[N@H+]1CCCN(C(=O)[C@H]2COC(=O)N2)CC1 ZINC000981074680 615961907 /nfs/dbraw/zinc/96/19/07/615961907.db2.gz ZHOBAWDRJUDFAP-SNVBAGLBSA-N 1 2 298.343 -1.283 20 0 CAADLO CN(C)C(=O)C[N@@H+]1CCCN(C(=O)[C@H]2C[C@H]2C(N)=O)CC1 ZINC000981972274 615962033 /nfs/dbraw/zinc/96/20/33/615962033.db2.gz QKBQQNCSWGRCLC-MNOVXSKESA-N 1 2 296.371 -1.270 20 0 CAADLO CN(C)C(=O)C[N@H+]1CCCN(C(=O)[C@H]2C[C@H]2C(N)=O)CC1 ZINC000981972274 615962034 /nfs/dbraw/zinc/96/20/34/615962034.db2.gz QKBQQNCSWGRCLC-MNOVXSKESA-N 1 2 296.371 -1.270 20 0 CAADLO CN(C)C(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2CNC(=O)N2)CC1 ZINC000981850356 615962039 /nfs/dbraw/zinc/96/20/39/615962039.db2.gz FRMUTAMCHRPSGO-JTQLQIEISA-N 1 2 297.359 -1.710 20 0 CAADLO CN(C)C(=O)C[N@H+]1CCCN(C(=O)[C@@H]2CNC(=O)N2)CC1 ZINC000981850356 615962041 /nfs/dbraw/zinc/96/20/41/615962041.db2.gz FRMUTAMCHRPSGO-JTQLQIEISA-N 1 2 297.359 -1.710 20 0 CAADLO CN(C)C(=O)C[N@@H+]1CCCN(C(=O)Cn2ncnn2)CC1 ZINC000981172205 615962098 /nfs/dbraw/zinc/96/20/98/615962098.db2.gz WVGSKEDKMQHVBE-UHFFFAOYSA-N 1 2 295.347 -1.704 20 0 CAADLO CN(C)C(=O)C[N@H+]1CCCN(C(=O)Cn2ncnn2)CC1 ZINC000981172205 615962101 /nfs/dbraw/zinc/96/21/01/615962101.db2.gz WVGSKEDKMQHVBE-UHFFFAOYSA-N 1 2 295.347 -1.704 20 0 CAADLO CN(C)C(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1nnc[nH]1 ZINC000962088981 615965606 /nfs/dbraw/zinc/96/56/06/615965606.db2.gz UUDPCBVPRGXPAP-MBTKJCJQSA-N 1 2 278.316 -1.447 20 0 CAADLO CN(C)C(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1nnc[nH]1 ZINC000962088981 615965608 /nfs/dbraw/zinc/96/56/08/615965608.db2.gz UUDPCBVPRGXPAP-MBTKJCJQSA-N 1 2 278.316 -1.447 20 0 CAADLO CN(C)C(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ncn[nH]1 ZINC000962088981 615965609 /nfs/dbraw/zinc/96/56/09/615965609.db2.gz UUDPCBVPRGXPAP-MBTKJCJQSA-N 1 2 278.316 -1.447 20 0 CAADLO CN(C)C(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ncn[nH]1 ZINC000962088981 615965610 /nfs/dbraw/zinc/96/56/10/615965610.db2.gz UUDPCBVPRGXPAP-MBTKJCJQSA-N 1 2 278.316 -1.447 20 0 CAADLO CN(C)c1noc(C[NH2+][C@@H]2CCN(C(=O)CC(N)=O)C2)n1 ZINC000968104141 616038423 /nfs/dbraw/zinc/03/84/23/616038423.db2.gz FHLCKDZZZWIVHG-MRVPVSSYSA-N 1 2 296.331 -1.299 20 0 CAADLO C[N@H+](CC(N)=O)[C@@H]1CCN(C(=O)CCc2nnc[nH]2)C1 ZINC000971299911 616053629 /nfs/dbraw/zinc/05/36/29/616053629.db2.gz FSGTZHJYKQNFRK-SECBINFHSA-N 1 2 280.332 -1.245 20 0 CAADLO C[N@@H+](CC(N)=O)[C@@H]1CCN(C(=O)CCc2nnc[nH]2)C1 ZINC000971299911 616053630 /nfs/dbraw/zinc/05/36/30/616053630.db2.gz FSGTZHJYKQNFRK-SECBINFHSA-N 1 2 280.332 -1.245 20 0 CAADLO C[N@H+](CC(N)=O)[C@@H]1CCN(C(=O)CCc2nc[nH]n2)C1 ZINC000971299911 616053631 /nfs/dbraw/zinc/05/36/31/616053631.db2.gz FSGTZHJYKQNFRK-SECBINFHSA-N 1 2 280.332 -1.245 20 0 CAADLO C[N@@H+](CC(N)=O)[C@@H]1CCN(C(=O)CCc2nc[nH]n2)C1 ZINC000971299911 616053632 /nfs/dbraw/zinc/05/36/32/616053632.db2.gz FSGTZHJYKQNFRK-SECBINFHSA-N 1 2 280.332 -1.245 20 0 CAADLO C[N@H+](CC(N)=O)[C@@H]1CCN(C(=O)CCc2cn[nH]n2)C1 ZINC000972371242 616053728 /nfs/dbraw/zinc/05/37/28/616053728.db2.gz WERKJMQIUOEZFN-SNVBAGLBSA-N 1 2 280.332 -1.245 20 0 CAADLO C[N@@H+](CC(N)=O)[C@@H]1CCN(C(=O)CCc2cn[nH]n2)C1 ZINC000972371242 616053729 /nfs/dbraw/zinc/05/37/29/616053729.db2.gz WERKJMQIUOEZFN-SNVBAGLBSA-N 1 2 280.332 -1.245 20 0 CAADLO C[N@H+](CC(N)=O)[C@@H]1CCN(C(=O)CCc2c[nH]nn2)C1 ZINC000972371242 616053730 /nfs/dbraw/zinc/05/37/30/616053730.db2.gz WERKJMQIUOEZFN-SNVBAGLBSA-N 1 2 280.332 -1.245 20 0 CAADLO C[N@@H+](CC(N)=O)[C@@H]1CCN(C(=O)CCc2c[nH]nn2)C1 ZINC000972371242 616053731 /nfs/dbraw/zinc/05/37/31/616053731.db2.gz WERKJMQIUOEZFN-SNVBAGLBSA-N 1 2 280.332 -1.245 20 0 CAADLO C[N@H+](CC(N)=O)[C@@H]1CCN(C(=O)Cc2ccn[nH]2)C1 ZINC000971246437 616054003 /nfs/dbraw/zinc/05/40/03/616054003.db2.gz OCFGIFDMGKLGDA-SNVBAGLBSA-N 1 2 265.317 -1.030 20 0 CAADLO C[N@@H+](CC(N)=O)[C@@H]1CCN(C(=O)Cc2ccn[nH]2)C1 ZINC000971246437 616054004 /nfs/dbraw/zinc/05/40/04/616054004.db2.gz OCFGIFDMGKLGDA-SNVBAGLBSA-N 1 2 265.317 -1.030 20 0 CAADLO C[N@H+](CC(N)=O)[C@H]1CCN(C(=O)CCc2cn[nH]n2)C1 ZINC000972371241 616055091 /nfs/dbraw/zinc/05/50/91/616055091.db2.gz WERKJMQIUOEZFN-JTQLQIEISA-N 1 2 280.332 -1.245 20 0 CAADLO C[N@@H+](CC(N)=O)[C@H]1CCN(C(=O)CCc2cn[nH]n2)C1 ZINC000972371241 616055092 /nfs/dbraw/zinc/05/50/92/616055092.db2.gz WERKJMQIUOEZFN-JTQLQIEISA-N 1 2 280.332 -1.245 20 0 CAADLO C[N@H+](CC(N)=O)[C@H]1CCN(C(=O)CCc2c[nH]nn2)C1 ZINC000972371241 616055093 /nfs/dbraw/zinc/05/50/93/616055093.db2.gz WERKJMQIUOEZFN-JTQLQIEISA-N 1 2 280.332 -1.245 20 0 CAADLO C[N@@H+](CC(N)=O)[C@H]1CCN(C(=O)CCc2c[nH]nn2)C1 ZINC000972371241 616055094 /nfs/dbraw/zinc/05/50/94/616055094.db2.gz WERKJMQIUOEZFN-JTQLQIEISA-N 1 2 280.332 -1.245 20 0 CAADLO Cn1nccc1C[N@H+](C)[C@@H]1CCN(C(=O)C(N)=O)C1 ZINC000972211158 616085060 /nfs/dbraw/zinc/08/50/60/616085060.db2.gz DITAVQPXRQLSED-SECBINFHSA-N 1 2 265.317 -1.062 20 0 CAADLO Cn1nccc1C[N@@H+](C)[C@@H]1CCN(C(=O)C(N)=O)C1 ZINC000972211158 616085062 /nfs/dbraw/zinc/08/50/62/616085062.db2.gz DITAVQPXRQLSED-SECBINFHSA-N 1 2 265.317 -1.062 20 0 CAADLO Cn1nccc1C[N@H+](C)[C@H]1CCN(C(=O)C(N)=O)C1 ZINC000972211159 616085399 /nfs/dbraw/zinc/08/53/99/616085399.db2.gz DITAVQPXRQLSED-VIFPVBQESA-N 1 2 265.317 -1.062 20 0 CAADLO Cn1nccc1C[N@@H+](C)[C@H]1CCN(C(=O)C(N)=O)C1 ZINC000972211159 616085401 /nfs/dbraw/zinc/08/54/01/616085401.db2.gz DITAVQPXRQLSED-VIFPVBQESA-N 1 2 265.317 -1.062 20 0 CAADLO Cn1nncc1C[N@H+](C)[C@@H]1CCN(C(=O)C(N)=O)C1 ZINC000972212692 616097893 /nfs/dbraw/zinc/09/78/93/616097893.db2.gz NYQKAVRAZHTHFM-MRVPVSSYSA-N 1 2 266.305 -1.667 20 0 CAADLO Cn1nncc1C[N@@H+](C)[C@@H]1CCN(C(=O)C(N)=O)C1 ZINC000972212692 616097894 /nfs/dbraw/zinc/09/78/94/616097894.db2.gz NYQKAVRAZHTHFM-MRVPVSSYSA-N 1 2 266.305 -1.667 20 0 CAADLO CN1C(=O)CC[C@H]1C(=O)N1CCC[N@H+](CC(N)=O)CC1 ZINC000981770790 616131394 /nfs/dbraw/zinc/13/13/94/616131394.db2.gz VNBRFCHDMBNMMD-JTQLQIEISA-N 1 2 282.344 -1.373 20 0 CAADLO CN1C(=O)CC[C@H]1C(=O)N1CCC[N@@H+](CC(N)=O)CC1 ZINC000981770790 616131395 /nfs/dbraw/zinc/13/13/95/616131395.db2.gz VNBRFCHDMBNMMD-JTQLQIEISA-N 1 2 282.344 -1.373 20 0 CAADLO CN1C(=O)CC[C@H]1C(=O)N[C@H]1C[N@H+](CC(N)=O)CC1(C)C ZINC000974928411 616132846 /nfs/dbraw/zinc/13/28/46/616132846.db2.gz LNZYTIVQHOGDGJ-UWVGGRQHSA-N 1 2 296.371 -1.081 20 0 CAADLO CN1C(=O)CC[C@H]1C(=O)N[C@H]1C[N@@H+](CC(N)=O)CC1(C)C ZINC000974928411 616132848 /nfs/dbraw/zinc/13/28/48/616132848.db2.gz LNZYTIVQHOGDGJ-UWVGGRQHSA-N 1 2 296.371 -1.081 20 0 CAADLO CN1CCOC[C@@H]1C(=O)N[C@H]1C[N@H+](CC(N)=O)CC1(C)C ZINC000974484716 616248438 /nfs/dbraw/zinc/24/84/38/616248438.db2.gz MMKMOZIJVPXOIN-MNOVXSKESA-N 1 2 298.387 -1.371 20 0 CAADLO CN1CCOC[C@@H]1C(=O)N[C@H]1C[N@@H+](CC(N)=O)CC1(C)C ZINC000974484716 616248439 /nfs/dbraw/zinc/24/84/39/616248439.db2.gz MMKMOZIJVPXOIN-MNOVXSKESA-N 1 2 298.387 -1.371 20 0 CAADLO CN1CCOC[C@H]1C(=O)N1CCC[N@H+](CC(N)=O)CC1 ZINC000981013073 616249411 /nfs/dbraw/zinc/24/94/11/616249411.db2.gz HOWRHOKRVUPYLJ-NSHDSACASA-N 1 2 284.360 -1.663 20 0 CAADLO CN1CCOC[C@H]1C(=O)N1CCC[N@@H+](CC(N)=O)CC1 ZINC000981013073 616249412 /nfs/dbraw/zinc/24/94/12/616249412.db2.gz HOWRHOKRVUPYLJ-NSHDSACASA-N 1 2 284.360 -1.663 20 0 CAADLO C[N@@H+]1CCO[C@@H](C(=O)N[C@@]2(C)CCN(C(=O)C(N)=O)C2)C1 ZINC000956791770 616253158 /nfs/dbraw/zinc/25/31/58/616253158.db2.gz DBIMVVMIUGMNSA-RNCFNFMXSA-N 1 2 298.343 -2.091 20 0 CAADLO C[N@H+]1CCO[C@@H](C(=O)N[C@@]2(C)CCN(C(=O)C(N)=O)C2)C1 ZINC000956791770 616253159 /nfs/dbraw/zinc/25/31/59/616253159.db2.gz DBIMVVMIUGMNSA-RNCFNFMXSA-N 1 2 298.343 -2.091 20 0 CAADLO C[N@@H+]1CCO[C@H](C(=O)N[C@]2(C)CCN(C(=O)C(N)=O)C2)C1 ZINC000956791771 616260335 /nfs/dbraw/zinc/26/03/35/616260335.db2.gz DBIMVVMIUGMNSA-TVQRCGJNSA-N 1 2 298.343 -2.091 20 0 CAADLO C[N@H+]1CCO[C@H](C(=O)N[C@]2(C)CCN(C(=O)C(N)=O)C2)C1 ZINC000956791771 616260336 /nfs/dbraw/zinc/26/03/36/616260336.db2.gz DBIMVVMIUGMNSA-TVQRCGJNSA-N 1 2 298.343 -2.091 20 0 CAADLO CN1CC[C@@H](C(=O)N2CCC[N@H+](CC(N)=O)CC2)C1=O ZINC000981779685 616264633 /nfs/dbraw/zinc/26/46/33/616264633.db2.gz RDTFDPFRGXRYSD-SNVBAGLBSA-N 1 2 282.344 -1.516 20 0 CAADLO CN1CC[C@@H](C(=O)N2CCC[N@@H+](CC(N)=O)CC2)C1=O ZINC000981779685 616264634 /nfs/dbraw/zinc/26/46/34/616264634.db2.gz RDTFDPFRGXRYSD-SNVBAGLBSA-N 1 2 282.344 -1.516 20 0 CAADLO CN1CC[C@@H](C(=O)N[C@@H]2C[N@H+](CC(N)=O)CC2(C)C)C1=O ZINC000974952471 616267239 /nfs/dbraw/zinc/26/72/39/616267239.db2.gz WSYYFMWVFXWNAX-VHSXEESVSA-N 1 2 296.371 -1.223 20 0 CAADLO CN1CC[C@@H](C(=O)N[C@@H]2C[N@@H+](CC(N)=O)CC2(C)C)C1=O ZINC000974952471 616267240 /nfs/dbraw/zinc/26/72/40/616267240.db2.gz WSYYFMWVFXWNAX-VHSXEESVSA-N 1 2 296.371 -1.223 20 0 CAADLO CN1CC[C@@H]([NH2+][C@@H]2CCN(C(=O)Cc3ncn[nH]3)C2)C1=O ZINC000970446432 616281093 /nfs/dbraw/zinc/28/10/93/616281093.db2.gz ATYCSENKBNMWDU-NXEZZACHSA-N 1 2 292.343 -1.232 20 0 CAADLO CN1CC[C@H](C(=O)N2CCC[N@H+](CC(N)=O)CC2)C1=O ZINC000981779684 616358124 /nfs/dbraw/zinc/35/81/24/616358124.db2.gz RDTFDPFRGXRYSD-JTQLQIEISA-N 1 2 282.344 -1.516 20 0 CAADLO CN1CC[C@H](C(=O)N2CCC[N@@H+](CC(N)=O)CC2)C1=O ZINC000981779684 616358126 /nfs/dbraw/zinc/35/81/26/616358126.db2.gz RDTFDPFRGXRYSD-JTQLQIEISA-N 1 2 282.344 -1.516 20 0 CAADLO COCC[NH+]1CCN(C(=O)c2nnn(C)n2)CC1 ZINC000949718987 616368738 /nfs/dbraw/zinc/36/87/38/616368738.db2.gz GFSSYDXCXIIDRU-UHFFFAOYSA-N 1 2 254.294 -1.386 20 0 CAADLO CN1CC[C@H](C(=O)N[C@@H]2C[N@H+](CC(N)=O)CC2(C)C)C1=O ZINC000974952460 616376315 /nfs/dbraw/zinc/37/63/15/616376315.db2.gz WSYYFMWVFXWNAX-NXEZZACHSA-N 1 2 296.371 -1.223 20 0 CAADLO CN1CC[C@H](C(=O)N[C@@H]2C[N@@H+](CC(N)=O)CC2(C)C)C1=O ZINC000974952460 616376319 /nfs/dbraw/zinc/37/63/19/616376319.db2.gz WSYYFMWVFXWNAX-NXEZZACHSA-N 1 2 296.371 -1.223 20 0 CAADLO CN1CC[C@H]([NH2+][C@@H]2CCN(C(=O)Cc3ncn[nH]3)C2)C1=O ZINC000970446433 616417948 /nfs/dbraw/zinc/41/79/48/616417948.db2.gz ATYCSENKBNMWDU-ZJUUUORDSA-N 1 2 292.343 -1.232 20 0 CAADLO CNC(=O)C[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CC(=O)N(C)C2)C1 ZINC000969787261 616595900 /nfs/dbraw/zinc/59/59/00/616595900.db2.gz CGDSXDGFGIYVGX-NXEZZACHSA-N 1 2 296.371 -1.353 20 0 CAADLO CNC(=O)C[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCC(=O)N2)C1 ZINC000969409297 616596320 /nfs/dbraw/zinc/59/63/20/616596320.db2.gz GFBWHBZOSKDQHJ-PSASIEDQSA-N 1 2 282.344 -1.553 20 0 CAADLO CNC(=O)C[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCNC2=O)C1 ZINC000970265561 616596400 /nfs/dbraw/zinc/59/64/00/616596400.db2.gz RAWRPRBQPABFMF-SCZZXKLOSA-N 1 2 282.344 -1.695 20 0 CAADLO CNC(=O)C[NH+]1CC([C@@H](C)NC(=O)c2[nH]nnc2C)C1 ZINC000970254122 616596440 /nfs/dbraw/zinc/59/64/40/616596440.db2.gz WOPPXZWPYMIYBP-SSDOTTSWSA-N 1 2 280.332 -1.091 20 0 CAADLO CNC(=O)C[NH+]1CC([C@@H](C)NC(=O)[C@H]2OCCO[C@H]2C)C1 ZINC000969867957 616596537 /nfs/dbraw/zinc/59/65/37/616596537.db2.gz GGQTXXXVBYLJLX-NRUUGDAUSA-N 1 2 299.371 -1.027 20 0 CAADLO CNC(=O)C[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCCNC2=O)C1 ZINC000969885972 616596580 /nfs/dbraw/zinc/59/65/80/616596580.db2.gz ZWLZQUFKUPLINP-KOLCDFICSA-N 1 2 296.371 -1.305 20 0 CAADLO CNC(=O)C[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCCNC2=O)C1 ZINC000969885974 616596816 /nfs/dbraw/zinc/59/68/16/616596816.db2.gz ZWLZQUFKUPLINP-MWLCHTKSSA-N 1 2 296.371 -1.305 20 0 CAADLO CNC(=O)C[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCN(C)C2=O)C1 ZINC000970292238 616596872 /nfs/dbraw/zinc/59/68/72/616596872.db2.gz KUONBTVAZZRXGC-KOLCDFICSA-N 1 2 296.371 -1.353 20 0 CAADLO CNC(=O)C[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCNC2=O)C1 ZINC000970265558 616596979 /nfs/dbraw/zinc/59/69/79/616596979.db2.gz RAWRPRBQPABFMF-PSASIEDQSA-N 1 2 282.344 -1.695 20 0 CAADLO CNC(=O)C[NH+]1CC([C@@H](C)NC(=O)c2cnn(C)c2N)C1 ZINC000969531250 616597180 /nfs/dbraw/zinc/59/71/80/616597180.db2.gz DGMQFSKJUINDOT-MRVPVSSYSA-N 1 2 294.359 -1.202 20 0 CAADLO CNC(=O)C[NH+]1CC([C@@H](C)NC(=O)c2cnn(C)n2)C1 ZINC000970572256 616597699 /nfs/dbraw/zinc/59/76/99/616597699.db2.gz TYEAMMWOMQUCJB-MRVPVSSYSA-N 1 2 280.332 -1.389 20 0 CAADLO CNC(=O)C[NH+]1CC([C@@H](C)NC(=O)c2nnn(C)c2C)C1 ZINC000969432933 616598071 /nfs/dbraw/zinc/59/80/71/616598071.db2.gz DRYIDZBZJPPAMZ-MRVPVSSYSA-N 1 2 294.359 -1.080 20 0 CAADLO CNC(=O)C[NH+]1CC([C@H](C)NC(=O)C2CN(C(C)=O)C2)C1 ZINC000969571170 616598145 /nfs/dbraw/zinc/59/81/45/616598145.db2.gz XCNJYDRLFWNIMZ-VIFPVBQESA-N 1 2 296.371 -1.353 20 0 CAADLO CNC(=O)C[NH+]1CC([C@@H](C)NC(=O)c2cnnn2C)C1 ZINC000969599761 616598160 /nfs/dbraw/zinc/59/81/60/616598160.db2.gz RAJMUTXJIQONCX-MRVPVSSYSA-N 1 2 280.332 -1.389 20 0 CAADLO CNC(=O)C[NH+]1CC([C@@H](C)NC(=O)c2nccnc2N)C1 ZINC000969421744 616598239 /nfs/dbraw/zinc/59/82/39/616598239.db2.gz ZMOKOYGJKWDHBF-MRVPVSSYSA-N 1 2 292.343 -1.145 20 0 CAADLO CNC(=O)C[NH+]1CC([C@H](C)NC(=O)c2cc(=O)n(C)o2)C1 ZINC000969575362 616598941 /nfs/dbraw/zinc/59/89/41/616598941.db2.gz WHYMENUMQFQYEW-QMMMGPOBSA-N 1 2 296.327 -1.226 20 0 CAADLO CNC(=O)C[NH+]1CC([C@H](C)NC(=O)[C@H]2CCCC(=O)N2)C1 ZINC000969917224 616598959 /nfs/dbraw/zinc/59/89/59/616598959.db2.gz WIPZJGDHMDVMQG-GXSJLCMTSA-N 1 2 296.371 -1.162 20 0 CAADLO CNC(=O)C[NH+]1CC([C@H](C)NC(=O)[C@H]2COCCO2)C1 ZINC000969322847 616599069 /nfs/dbraw/zinc/59/90/69/616599069.db2.gz JQFKRXVTECQHRE-GXSJLCMTSA-N 1 2 285.344 -1.416 20 0 CAADLO CNC(=O)C[NH+]1CC([C@H](C)NC(=O)c2cn[nH]c(=O)c2)C1 ZINC000969902034 616599392 /nfs/dbraw/zinc/59/93/92/616599392.db2.gz JEYXHHGPROHBGK-QMMMGPOBSA-N 1 2 293.327 -1.022 20 0 CAADLO CNC(=O)C[NH+]1CC([C@H](C)NC(=O)c2cnc[nH]c2=O)C1 ZINC000969927187 616599647 /nfs/dbraw/zinc/59/96/47/616599647.db2.gz UALICTXECRHRRB-QMMMGPOBSA-N 1 2 293.327 -1.022 20 0 CAADLO CNC(=O)C[NH+]1CC([C@H](C)NC(=O)c2nccnc2N)C1 ZINC000969421745 616600071 /nfs/dbraw/zinc/60/00/71/616600071.db2.gz ZMOKOYGJKWDHBF-QMMMGPOBSA-N 1 2 292.343 -1.145 20 0 CAADLO CNC(=O)C[N@@H+]1CCCN(C(=O)C(C)(C)C(N)=O)CC1 ZINC000981382959 616602225 /nfs/dbraw/zinc/60/22/25/616602225.db2.gz FCRHNJAKROZCIM-UHFFFAOYSA-N 1 2 284.360 -1.222 20 0 CAADLO CNC(=O)C[N@H+]1CCCN(C(=O)C(C)(C)C(N)=O)CC1 ZINC000981382959 616602228 /nfs/dbraw/zinc/60/22/28/616602228.db2.gz FCRHNJAKROZCIM-UHFFFAOYSA-N 1 2 284.360 -1.222 20 0 CAADLO CNC(=O)C[N@@H+]1CCCN(C(=O)C2(C(N)=O)CC2)CC1 ZINC000981865312 616603255 /nfs/dbraw/zinc/60/32/55/616603255.db2.gz UMPGZRYAORDQKT-UHFFFAOYSA-N 1 2 282.344 -1.468 20 0 CAADLO CNC(=O)C[N@H+]1CCCN(C(=O)C2(C(N)=O)CC2)CC1 ZINC000981865312 616603257 /nfs/dbraw/zinc/60/32/57/616603257.db2.gz UMPGZRYAORDQKT-UHFFFAOYSA-N 1 2 282.344 -1.468 20 0 CAADLO CNC(=O)C[N@@H+]1CCCN(C(=O)Cc2nnc(C)[nH]2)CC1 ZINC000981115841 616603980 /nfs/dbraw/zinc/60/39/80/616603980.db2.gz FPVZRFBYOCSTAT-UHFFFAOYSA-N 1 2 294.359 -1.064 20 0 CAADLO CNC(=O)C[N@H+]1CCCN(C(=O)Cc2nnc(C)[nH]2)CC1 ZINC000981115841 616603983 /nfs/dbraw/zinc/60/39/83/616603983.db2.gz FPVZRFBYOCSTAT-UHFFFAOYSA-N 1 2 294.359 -1.064 20 0 CAADLO CNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2CCNC2=O)CC1 ZINC000981747257 616604227 /nfs/dbraw/zinc/60/42/27/616604227.db2.gz WRQCYPKDRLSJPO-SNVBAGLBSA-N 1 2 282.344 -1.597 20 0 CAADLO CNC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2CCNC2=O)CC1 ZINC000981747257 616604230 /nfs/dbraw/zinc/60/42/30/616604230.db2.gz WRQCYPKDRLSJPO-SNVBAGLBSA-N 1 2 282.344 -1.597 20 0 CAADLO CNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2CNC(=O)N2)CC1 ZINC000981850829 616604830 /nfs/dbraw/zinc/60/48/30/616604830.db2.gz VLFARHAVQZIJPE-VIFPVBQESA-N 1 2 283.332 -2.052 20 0 CAADLO CNC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2CNC(=O)N2)CC1 ZINC000981850829 616604832 /nfs/dbraw/zinc/60/48/32/616604832.db2.gz VLFARHAVQZIJPE-VIFPVBQESA-N 1 2 283.332 -2.052 20 0 CAADLO CNC(=O)C[N@@H+]1CCCN(C(=O)CN2CN=NC2=O)CC1 ZINC000981001538 616604869 /nfs/dbraw/zinc/60/48/69/616604869.db2.gz OEWNLLRQHLBFAM-UHFFFAOYSA-N 1 2 296.331 -1.736 20 0 CAADLO CNC(=O)C[N@H+]1CCCN(C(=O)CN2CN=NC2=O)CC1 ZINC000981001538 616604871 /nfs/dbraw/zinc/60/48/71/616604871.db2.gz OEWNLLRQHLBFAM-UHFFFAOYSA-N 1 2 296.331 -1.736 20 0 CAADLO CNC(=O)C[N@@H+]1CCCN(C(=O)Cn2cnnn2)CC1 ZINC000980677570 616605146 /nfs/dbraw/zinc/60/51/46/616605146.db2.gz QKAJDYYGSNJLER-UHFFFAOYSA-N 1 2 281.320 -2.047 20 0 CAADLO CNC(=O)C[N@H+]1CCCN(C(=O)Cn2cnnn2)CC1 ZINC000980677570 616605149 /nfs/dbraw/zinc/60/51/49/616605149.db2.gz QKAJDYYGSNJLER-UHFFFAOYSA-N 1 2 281.320 -2.047 20 0 CAADLO CNC(=O)C[N@@H+]1CCCN(C(=O)[C@@]2(C)CNC(=O)C2)CC1 ZINC000981673882 616605252 /nfs/dbraw/zinc/60/52/52/616605252.db2.gz OFJBIBPOCFKPMJ-CQSZACIVSA-N 1 2 296.371 -1.207 20 0 CAADLO CNC(=O)C[N@H+]1CCCN(C(=O)[C@@]2(C)CNC(=O)C2)CC1 ZINC000981673882 616605253 /nfs/dbraw/zinc/60/52/53/616605253.db2.gz OFJBIBPOCFKPMJ-CQSZACIVSA-N 1 2 296.371 -1.207 20 0 CAADLO CNC(=O)C[N@@H+]1CCCN(C(=O)[C@H]2C[C@H]2C(N)=O)CC1 ZINC000981969528 616605657 /nfs/dbraw/zinc/60/56/57/616605657.db2.gz OHTRJTKCNFMEFP-ZJUUUORDSA-N 1 2 282.344 -1.612 20 0 CAADLO CNC(=O)C[N@H+]1CCCN(C(=O)[C@H]2C[C@H]2C(N)=O)CC1 ZINC000981969528 616605658 /nfs/dbraw/zinc/60/56/58/616605658.db2.gz OHTRJTKCNFMEFP-ZJUUUORDSA-N 1 2 282.344 -1.612 20 0 CAADLO CNC(=O)C[N@@H+]1CCCN(C(=O)[C@]2(C)CCC(=O)N2)CC1 ZINC000981892342 616605979 /nfs/dbraw/zinc/60/59/79/616605979.db2.gz RNQCFYGJWPTIOF-AWEZNQCLSA-N 1 2 296.371 -1.065 20 0 CAADLO CNC(=O)C[N@H+]1CCCN(C(=O)[C@]2(C)CCC(=O)N2)CC1 ZINC000981892342 616605982 /nfs/dbraw/zinc/60/59/82/616605982.db2.gz RNQCFYGJWPTIOF-AWEZNQCLSA-N 1 2 296.371 -1.065 20 0 CAADLO CNC(=O)CN1CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC000957330870 616608549 /nfs/dbraw/zinc/60/85/49/616608549.db2.gz NODSNRVWJBBTMS-UHFFFAOYSA-N 1 2 279.344 -1.147 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2nnn(C)n2)C1 ZINC000967751683 616612234 /nfs/dbraw/zinc/61/22/34/616612234.db2.gz XEEUETHYIXRVBX-RKDXNWHRSA-N 1 2 295.347 -1.604 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2nnn(C)n2)C1 ZINC000967751683 616612236 /nfs/dbraw/zinc/61/22/36/616612236.db2.gz XEEUETHYIXRVBX-RKDXNWHRSA-N 1 2 295.347 -1.604 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2nnc[nH]2)[C@@H](C)C1 ZINC000943676798 616616878 /nfs/dbraw/zinc/61/68/78/616616878.db2.gz VYLZMGNVIASBFS-DTWKUNHWSA-N 1 2 280.332 -1.009 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2nnc[nH]2)[C@@H](C)C1 ZINC000943676798 616616879 /nfs/dbraw/zinc/61/68/79/616616879.db2.gz VYLZMGNVIASBFS-DTWKUNHWSA-N 1 2 280.332 -1.009 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ncn[nH]2)[C@@H](C)C1 ZINC000943676798 616616880 /nfs/dbraw/zinc/61/68/80/616616880.db2.gz VYLZMGNVIASBFS-DTWKUNHWSA-N 1 2 280.332 -1.009 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2ncn[nH]2)[C@@H](C)C1 ZINC000943676798 616616881 /nfs/dbraw/zinc/61/68/81/616616881.db2.gz VYLZMGNVIASBFS-DTWKUNHWSA-N 1 2 280.332 -1.009 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2nnc[nH]2)[C@H](C)C1 ZINC000943676800 616617001 /nfs/dbraw/zinc/61/70/01/616617001.db2.gz VYLZMGNVIASBFS-RKDXNWHRSA-N 1 2 280.332 -1.009 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2nnc[nH]2)[C@H](C)C1 ZINC000943676800 616617004 /nfs/dbraw/zinc/61/70/04/616617004.db2.gz VYLZMGNVIASBFS-RKDXNWHRSA-N 1 2 280.332 -1.009 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ncn[nH]2)[C@H](C)C1 ZINC000943676800 616617006 /nfs/dbraw/zinc/61/70/06/616617006.db2.gz VYLZMGNVIASBFS-RKDXNWHRSA-N 1 2 280.332 -1.009 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2ncn[nH]2)[C@H](C)C1 ZINC000943676800 616617008 /nfs/dbraw/zinc/61/70/08/616617008.db2.gz VYLZMGNVIASBFS-RKDXNWHRSA-N 1 2 280.332 -1.009 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)C(N)=O)C1 ZINC000968132370 616619562 /nfs/dbraw/zinc/61/95/62/616619562.db2.gz QHQCJERBTWTTLL-JGVFFNPUSA-N 1 2 256.306 -1.956 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](C)[C@H](NC(=O)C(N)=O)C1 ZINC000968132370 616619566 /nfs/dbraw/zinc/61/95/66/616619566.db2.gz QHQCJERBTWTTLL-JGVFFNPUSA-N 1 2 256.306 -1.956 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2nnn(C)n2)C1 ZINC000967751679 616620114 /nfs/dbraw/zinc/62/01/14/616620114.db2.gz XEEUETHYIXRVBX-DTWKUNHWSA-N 1 2 295.347 -1.604 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](C)[C@H](NC(=O)c2nnn(C)n2)C1 ZINC000967751679 616620117 /nfs/dbraw/zinc/62/01/17/616620117.db2.gz XEEUETHYIXRVBX-DTWKUNHWSA-N 1 2 295.347 -1.604 20 0 CAADLO COCC(=O)N1CC[C@H]([N@H+](C)Cc2nc(=O)n(C)[nH]2)C1 ZINC000970908912 616627990 /nfs/dbraw/zinc/62/79/90/616627990.db2.gz FSULHBPGMOOGFA-VIFPVBQESA-N 1 2 283.332 -1.213 20 0 CAADLO COCC(=O)N1CC[C@H]([N@@H+](C)Cc2nc(=O)n(C)[nH]2)C1 ZINC000970908912 616627992 /nfs/dbraw/zinc/62/79/92/616627992.db2.gz FSULHBPGMOOGFA-VIFPVBQESA-N 1 2 283.332 -1.213 20 0 CAADLO CNC(=O)C[N@@H+]1C[C@@H](NC(=O)[C@H]2COCCO2)C(C)(C)C1 ZINC000972818903 616629173 /nfs/dbraw/zinc/62/91/73/616629173.db2.gz QYMHMZXPVGVOFU-GHMZBOCLSA-N 1 2 299.371 -1.026 20 0 CAADLO CNC(=O)C[N@H+]1C[C@@H](NC(=O)[C@H]2COCCO2)C(C)(C)C1 ZINC000972818903 616629176 /nfs/dbraw/zinc/62/91/76/616629176.db2.gz QYMHMZXPVGVOFU-GHMZBOCLSA-N 1 2 299.371 -1.026 20 0 CAADLO CNC(=O)C[N@@H+]1C[C@H](NC(=O)[C@@H]2COCCO2)C(C)(C)C1 ZINC000972818905 616635978 /nfs/dbraw/zinc/63/59/78/616635978.db2.gz QYMHMZXPVGVOFU-QWRGUYRKSA-N 1 2 299.371 -1.026 20 0 CAADLO CNC(=O)C[N@H+]1C[C@H](NC(=O)[C@@H]2COCCO2)C(C)(C)C1 ZINC000972818905 616635981 /nfs/dbraw/zinc/63/59/81/616635981.db2.gz QYMHMZXPVGVOFU-QWRGUYRKSA-N 1 2 299.371 -1.026 20 0 CAADLO CNC(=O)CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cc[nH+]c1C ZINC000962580857 616643772 /nfs/dbraw/zinc/64/37/72/616643772.db2.gz WBTKLXURQODTNU-YABSGUDNSA-N 1 2 291.355 -1.016 20 0 CAADLO CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1ccnc1C ZINC000962580857 616643774 /nfs/dbraw/zinc/64/37/74/616643774.db2.gz WBTKLXURQODTNU-YABSGUDNSA-N 1 2 291.355 -1.016 20 0 CAADLO CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1ccnc1C ZINC000962580857 616643776 /nfs/dbraw/zinc/64/37/76/616643776.db2.gz WBTKLXURQODTNU-YABSGUDNSA-N 1 2 291.355 -1.016 20 0 CAADLO CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cn[nH]n1 ZINC000960739604 616645854 /nfs/dbraw/zinc/64/58/54/616645854.db2.gz HNMUJXSDPNZLKK-MTBHXBHISA-N 1 2 264.289 -1.789 20 0 CAADLO CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cn[nH]n1 ZINC000960739604 616645857 /nfs/dbraw/zinc/64/58/57/616645857.db2.gz HNMUJXSDPNZLKK-MTBHXBHISA-N 1 2 264.289 -1.789 20 0 CAADLO CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnn[nH]1 ZINC000960739604 616645860 /nfs/dbraw/zinc/64/58/60/616645860.db2.gz HNMUJXSDPNZLKK-MTBHXBHISA-N 1 2 264.289 -1.789 20 0 CAADLO CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnn[nH]1 ZINC000960739604 616645863 /nfs/dbraw/zinc/64/58/63/616645863.db2.gz HNMUJXSDPNZLKK-MTBHXBHISA-N 1 2 264.289 -1.789 20 0 CAADLO COCC(=O)N1C[C@@H](NC(=O)Cn2cc[nH+]c2)[C@H](OC)C1 ZINC000942547648 616659751 /nfs/dbraw/zinc/65/97/51/616659751.db2.gz GMBIDEHVOUVDTN-GHMZBOCLSA-N 1 2 296.327 -1.129 20 0 CAADLO COCC(=O)N1C[C@@H](NC(=O)Cc2[nH]cc[nH+]2)[C@H](OC)C1 ZINC000946435603 616660178 /nfs/dbraw/zinc/66/01/78/616660178.db2.gz SYWPGYYQMDGBTG-NXEZZACHSA-N 1 2 296.327 -1.059 20 0 CAADLO COCC(=O)N1C[C@@H](NC(=O)Cc2[nH]cc[nH+]2)[C@@H](O)C1 ZINC000970078672 616685490 /nfs/dbraw/zinc/68/54/90/616685490.db2.gz SZEBKHPWPXJMOK-BDAKNGLRSA-N 1 2 282.300 -1.714 20 0 CAADLO CO[C@@H]1CN(C(=O)C(N)=O)C[C@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC000946438600 616726131 /nfs/dbraw/zinc/72/61/31/616726131.db2.gz CFMONCILZVPBTD-HTQZYQBOSA-N 1 2 295.299 -2.221 20 0 CAADLO CO[C@@H]1CN(C(=O)C(N)=O)C[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC000942549219 616726210 /nfs/dbraw/zinc/72/62/10/616726210.db2.gz KOTABKQGFYCOHP-RKDXNWHRSA-N 1 2 295.299 -2.290 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+]1CCCN(C(=O)C2(C(N)=O)CC2)CC1 ZINC000981865567 616783636 /nfs/dbraw/zinc/78/36/36/616783636.db2.gz XZCHIUQFLNEQJQ-SNVBAGLBSA-N 1 2 296.371 -1.079 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+]1CCCN(C(=O)C2(C(N)=O)CC2)CC1 ZINC000981865567 616783639 /nfs/dbraw/zinc/78/36/39/616783639.db2.gz XZCHIUQFLNEQJQ-SNVBAGLBSA-N 1 2 296.371 -1.079 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1nnc[nH]1 ZINC000962261808 616792154 /nfs/dbraw/zinc/79/21/54/616792154.db2.gz LHJNRJDOWUKARP-XBWDGYHZSA-N 1 2 292.343 -1.472 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1nnc[nH]1 ZINC000962261808 616792158 /nfs/dbraw/zinc/79/21/58/616792158.db2.gz LHJNRJDOWUKARP-XBWDGYHZSA-N 1 2 292.343 -1.472 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+]1CCCN(C(=O)C2(C(N)=O)CC2)CC1 ZINC000981865566 616846139 /nfs/dbraw/zinc/84/61/39/616846139.db2.gz XZCHIUQFLNEQJQ-JTQLQIEISA-N 1 2 296.371 -1.079 20 0 CAADLO CNC(=O)[C@H](C)[N@H+]1CCCN(C(=O)C2(C(N)=O)CC2)CC1 ZINC000981865566 616846141 /nfs/dbraw/zinc/84/61/41/616846141.db2.gz XZCHIUQFLNEQJQ-JTQLQIEISA-N 1 2 296.371 -1.079 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+]1CCCN(C(=O)c2nnn(C)n2)CC1 ZINC000981777431 616848397 /nfs/dbraw/zinc/84/83/97/616848397.db2.gz HWZCAGMNXIZAHN-VIFPVBQESA-N 1 2 295.347 -1.508 20 0 CAADLO CNC(=O)[C@H](C)[N@H+]1CCCN(C(=O)c2nnn(C)n2)CC1 ZINC000981777431 616848401 /nfs/dbraw/zinc/84/84/01/616848401.db2.gz HWZCAGMNXIZAHN-VIFPVBQESA-N 1 2 295.347 -1.508 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)C(N)=O)C(C)(C)C1 ZINC000975004979 616850625 /nfs/dbraw/zinc/85/06/25/616850625.db2.gz ISHPGNUIBKVAOY-JGVFFNPUSA-N 1 2 270.333 -1.567 20 0 CAADLO CNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)C(N)=O)C(C)(C)C1 ZINC000975004979 616850628 /nfs/dbraw/zinc/85/06/28/616850628.db2.gz ISHPGNUIBKVAOY-JGVFFNPUSA-N 1 2 270.333 -1.567 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+]1C[C@H](NC(=O)C(N)=O)C(C)(C)C1 ZINC000975004990 616851761 /nfs/dbraw/zinc/85/17/61/616851761.db2.gz ISHPGNUIBKVAOY-YUMQZZPRSA-N 1 2 270.333 -1.567 20 0 CAADLO CNC(=O)[C@H](C)[N@H+]1C[C@H](NC(=O)C(N)=O)C(C)(C)C1 ZINC000975004990 616851766 /nfs/dbraw/zinc/85/17/66/616851766.db2.gz ISHPGNUIBKVAOY-YUMQZZPRSA-N 1 2 270.333 -1.567 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ncn[nH]1 ZINC000962086432 616854171 /nfs/dbraw/zinc/85/41/71/616854171.db2.gz QSJSJPCPZQBXGL-RBXMUDONSA-N 1 2 278.316 -1.401 20 0 CAADLO CNC(=O)[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ncn[nH]1 ZINC000962086432 616854174 /nfs/dbraw/zinc/85/41/74/616854174.db2.gz QSJSJPCPZQBXGL-RBXMUDONSA-N 1 2 278.316 -1.401 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1nc[nH]n1 ZINC000962086432 616854178 /nfs/dbraw/zinc/85/41/78/616854178.db2.gz QSJSJPCPZQBXGL-RBXMUDONSA-N 1 2 278.316 -1.401 20 0 CAADLO CNC(=O)[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1nc[nH]n1 ZINC000962086432 616854181 /nfs/dbraw/zinc/85/41/81/616854181.db2.gz QSJSJPCPZQBXGL-RBXMUDONSA-N 1 2 278.316 -1.401 20 0 CAADLO COCc1noc(C[NH2+][C@@H]2CCN(C(=O)CC(N)=O)C2)n1 ZINC000968105950 616978980 /nfs/dbraw/zinc/97/89/80/616978980.db2.gz PNNBVWKAHSKDAX-MRVPVSSYSA-N 1 2 297.315 -1.218 20 0 CAADLO COc1c(C(=O)N[C@@H](C)C2C[NH+](CC(N)=O)C2)cnn1C ZINC000970809671 617143877 /nfs/dbraw/zinc/14/38/77/617143877.db2.gz FGWNACSQRFUPJK-QMMMGPOBSA-N 1 2 295.343 -1.036 20 0 CAADLO CO[C@@H](C)C(=O)N1C[C@@H](NC(=O)Cc2[nH]cc[nH+]2)[C@@H](O)C1 ZINC000970079077 617145040 /nfs/dbraw/zinc/14/50/40/617145040.db2.gz YVCXJJRDFXWHHZ-AEJSXWLSSA-N 1 2 296.327 -1.325 20 0 CAADLO COc1cc(C(=O)NC[C@@H]2C[N@H+](CC(N)=O)C[C@H]2O)on1 ZINC000957978381 617161590 /nfs/dbraw/zinc/16/15/90/617161590.db2.gz BNGATFMTXLTQHR-HTQZYQBOSA-N 1 2 298.299 -1.809 20 0 CAADLO COc1cc(C(=O)NC[C@@H]2C[N@@H+](CC(N)=O)C[C@H]2O)on1 ZINC000957978381 617161591 /nfs/dbraw/zinc/16/15/91/617161591.db2.gz BNGATFMTXLTQHR-HTQZYQBOSA-N 1 2 298.299 -1.809 20 0 CAADLO COc1cc(C(=O)N[C@H](C)C2C[NH+](CC(N)=O)C2)nn1C ZINC000970120021 617165889 /nfs/dbraw/zinc/16/58/89/617165889.db2.gz JDFZWLLAMDKHEA-MRVPVSSYSA-N 1 2 295.343 -1.036 20 0 CAADLO C[C@H](O)C[NH+]1CC(CCO)(NC(=O)[C@H]2CCN(C)C2=O)C1 ZINC001276075637 782187478 /nfs/dbraw/zinc/18/74/78/782187478.db2.gz MYUVYNUCUIVQGF-WDEREUQCSA-N 1 2 299.371 -1.602 20 0 CAADLO C[C@@H](F)CC[NH+]1CC(CCO)(NC(=O)C(N)=O)C1 ZINC001276082537 782187501 /nfs/dbraw/zinc/18/75/01/782187501.db2.gz JWVQAQJGRMCYSV-MRVPVSSYSA-N 1 2 261.297 -1.227 20 0 CAADLO C[C@@H](O)C[NH+]1CC(CCO)(NC(=O)[C@@H]2CCN(C)C2=O)C1 ZINC001276075633 782187912 /nfs/dbraw/zinc/18/79/12/782187912.db2.gz MYUVYNUCUIVQGF-MNOVXSKESA-N 1 2 299.371 -1.602 20 0 CAADLO CN1CC[C@H](C(=O)NC2(CCO)C[NH+](CCCO)C2)C1=O ZINC001276075278 782188014 /nfs/dbraw/zinc/18/80/14/782188014.db2.gz CQZPOGWIJWJTMJ-LLVKDONJSA-N 1 2 299.371 -1.600 20 0 CAADLO CO[C@H](C)C[NH+]1CC(CCO)(NC(=O)[C@@H]2CCNC2=O)C1 ZINC001276075262 782188157 /nfs/dbraw/zinc/18/81/57/782188157.db2.gz CJDLPZRTUCVUNC-GHMZBOCLSA-N 1 2 299.371 -1.290 20 0 CAADLO CO[C@H](C)C[NH+]1CC(CCO)(NC(=O)[C@H]2CCNC2=O)C1 ZINC001276075263 782188295 /nfs/dbraw/zinc/18/82/95/782188295.db2.gz CJDLPZRTUCVUNC-MNOVXSKESA-N 1 2 299.371 -1.290 20 0 CAADLO CNS(=O)(=O)N1CC[NH+](C[C@@H](O)[C@@H](C)O)CC1 ZINC000930486379 656838672 /nfs/dbraw/zinc/83/86/72/656838672.db2.gz KYVBFONJKIPWNJ-RKDXNWHRSA-N 1 2 267.351 -2.190 20 0 CAADLO CN1C[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(N)=O)CC1=O ZINC001095493223 782189771 /nfs/dbraw/zinc/18/97/71/782189771.db2.gz KUZJLXJEGIICMB-VLEAKVRGSA-N 1 2 294.355 -1.329 20 0 CAADLO CN1C[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(N)=O)CC1=O ZINC001095493223 782189778 /nfs/dbraw/zinc/18/97/78/782189778.db2.gz KUZJLXJEGIICMB-VLEAKVRGSA-N 1 2 294.355 -1.329 20 0 CAADLO C[C@@H](NC(=O)c1cc[n+]([O-])cc1)C1C[NH+](CC(N)=O)C1 ZINC000969252216 655996504 /nfs/dbraw/zinc/99/65/04/655996504.db2.gz OYUHMXLUDMCGHP-SECBINFHSA-N 1 2 278.312 -1.145 20 0 CAADLO C[C@@H](NC(=O)c1cnn(C)c1)C1C[NH+](CC(N)=O)C1 ZINC000969277428 655996709 /nfs/dbraw/zinc/99/67/09/655996709.db2.gz ZFWYRKJQOLGQQG-MRVPVSSYSA-N 1 2 265.317 -1.045 20 0 CAADLO C[C@H](NC(=O)[C@H]1COCCO1)C1C[NH+](CC(N)=O)C1 ZINC000969321471 655996873 /nfs/dbraw/zinc/99/68/73/655996873.db2.gz DWPIWWREGQCFNI-WCBMZHEXSA-N 1 2 271.317 -1.676 20 0 CAADLO C[C@H](NC(=O)[C@H]1CCOC1)C1C[NH+](CC(N)=O)C1 ZINC000969370453 655997959 /nfs/dbraw/zinc/99/79/59/655997959.db2.gz NAUWBAPSXHDSHV-IUCAKERBSA-N 1 2 255.318 -1.055 20 0 CAADLO C[C@H](NC(=O)c1nccnc1N)C1C[NH+]([C@@H](C)C(N)=O)C1 ZINC000969424521 655998660 /nfs/dbraw/zinc/99/86/60/655998660.db2.gz QHIOXISIUJEKSY-YUMQZZPRSA-N 1 2 292.343 -1.017 20 0 CAADLO C[C@@H](NC(=O)c1nccnc1N)C1C[NH+](CC(N)=O)C1 ZINC000969424082 655998673 /nfs/dbraw/zinc/99/86/73/655998673.db2.gz MJDZYJAZZPLEOA-SSDOTTSWSA-N 1 2 278.316 -1.406 20 0 CAADLO Cc1c(C(=O)N[C@H](C)C2C[NH+](CC(N)=O)C2)nnn1C ZINC000969433709 655998694 /nfs/dbraw/zinc/99/86/94/655998694.db2.gz QSLKLRYVULLIDI-SSDOTTSWSA-N 1 2 280.332 -1.341 20 0 CAADLO CC(C)(C)n1nnc(C[NH2+][C@H]2C[C@H](NC(=O)C(N)=O)C2)n1 ZINC001020534892 656000097 /nfs/dbraw/zinc/00/00/97/656000097.db2.gz PFDLRHBXCJDFRJ-ZKCHVHJHSA-N 1 2 295.347 -1.350 20 0 CAADLO C[C@@H](NC(=O)[C@H]1C[N@H+](C)CCO1)C1CN(CC(N)=O)C1 ZINC000969441729 656000194 /nfs/dbraw/zinc/00/01/94/656000194.db2.gz MMTQVKDXGWUYFI-MWLCHTKSSA-N 1 2 284.360 -1.761 20 0 CAADLO C[C@@H](NC(=O)[C@H]1C[N@@H+](C)CCO1)C1CN(CC(N)=O)C1 ZINC000969441729 656000196 /nfs/dbraw/zinc/00/01/96/656000196.db2.gz MMTQVKDXGWUYFI-MWLCHTKSSA-N 1 2 284.360 -1.761 20 0 CAADLO C[C@H](NC(=O)[C@H]1CCNC(=O)C1)C1C[NH+](CC(N)=O)C1 ZINC000969484405 656000586 /nfs/dbraw/zinc/00/05/86/656000586.db2.gz XBYPNOAJPKMNHJ-IUCAKERBSA-N 1 2 282.344 -1.566 20 0 CAADLO NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)c2[nH]ncc2F)C1 ZINC001020558794 656001607 /nfs/dbraw/zinc/00/16/07/656001607.db2.gz VIIBPPLYQGLREE-IZLXSQMJSA-N 1 2 255.253 -1.116 20 0 CAADLO Cc1nnc(C[NH2+][C@@H]2CCN(C(=O)c3nnn(C)n3)C2)o1 ZINC000969626717 656002080 /nfs/dbraw/zinc/00/20/80/656002080.db2.gz YKTFXCQRIUFZCJ-MRVPVSSYSA-N 1 2 292.303 -1.094 20 0 CAADLO C[C@@H](NC(=O)c1cn(C)nn1)C1C[NH+]([C@@H](C)C(N)=O)C1 ZINC000969589836 656002255 /nfs/dbraw/zinc/00/22/55/656002255.db2.gz XNTJPALJQVPICD-SFYZADRCSA-N 1 2 280.332 -1.261 20 0 CAADLO C[C@H](C(N)=O)[NH+]1CC([C@H](C)NC(=O)c2cnnn2C)C1 ZINC000969592246 656002465 /nfs/dbraw/zinc/00/24/65/656002465.db2.gz VXKWYBBENHSWRD-JGVFFNPUSA-N 1 2 280.332 -1.261 20 0 CAADLO C[C@@H](NC(=O)c1ncn(C)n1)C1C[NH+](CC(N)=O)C1 ZINC000969599968 656002628 /nfs/dbraw/zinc/00/26/28/656002628.db2.gz WUYAEMFJMZQNDK-SSDOTTSWSA-N 1 2 266.305 -1.650 20 0 CAADLO C[C@@H](NC(=O)[C@H]1C[C@@H](C)CC(=O)N1)C1C[NH+](CC(N)=O)C1 ZINC000969690632 656003347 /nfs/dbraw/zinc/00/33/47/656003347.db2.gz PYAMSZWLYKBCFQ-FXPVBKGRSA-N 1 2 296.371 -1.177 20 0 CAADLO O=C([C@H]1CNC(=O)N1)N1CC[C@@H]([NH2+]Cc2cnsn2)C1 ZINC000969767185 656003696 /nfs/dbraw/zinc/00/36/96/656003696.db2.gz TYFBRFWRKOWPQS-VXNVDRBHSA-N 1 2 296.356 -1.090 20 0 CAADLO CNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2COCCO2)C1 ZINC001006801180 656003720 /nfs/dbraw/zinc/00/37/20/656003720.db2.gz ZZCSQLRYELKVGA-MNOVXSKESA-N 1 2 285.344 -1.272 20 0 CAADLO CNC(=O)C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2COCCO2)C1 ZINC001006801180 656003722 /nfs/dbraw/zinc/00/37/22/656003722.db2.gz ZZCSQLRYELKVGA-MNOVXSKESA-N 1 2 285.344 -1.272 20 0 CAADLO CNC(=O)C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2COCCO2)C1 ZINC001006801182 656003990 /nfs/dbraw/zinc/00/39/90/656003990.db2.gz ZZCSQLRYELKVGA-QWRGUYRKSA-N 1 2 285.344 -1.272 20 0 CAADLO CNC(=O)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2COCCO2)C1 ZINC001006801182 656003991 /nfs/dbraw/zinc/00/39/91/656003991.db2.gz ZZCSQLRYELKVGA-QWRGUYRKSA-N 1 2 285.344 -1.272 20 0 CAADLO CNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2COCCO2)C1 ZINC001006801165 656004039 /nfs/dbraw/zinc/00/40/39/656004039.db2.gz ZZCSQLRYELKVGA-GHMZBOCLSA-N 1 2 285.344 -1.272 20 0 CAADLO CNC(=O)C[N@H+]1CCC[C@@H](NC(=O)[C@H]2COCCO2)C1 ZINC001006801165 656004041 /nfs/dbraw/zinc/00/40/41/656004041.db2.gz ZZCSQLRYELKVGA-GHMZBOCLSA-N 1 2 285.344 -1.272 20 0 CAADLO C[C@H]([NH2+][C@@H]1CCN(C(=O)C(N)=O)C1)c1nnnn1C ZINC000969784396 656004232 /nfs/dbraw/zinc/00/42/32/656004232.db2.gz QQNWXKPOQQDFGS-NKWVEPMBSA-N 1 2 267.293 -2.053 20 0 CAADLO NC(=O)C(=O)N1CC[C@@H]([NH2+]Cc2nnc(C3CC3)[nH]2)C1 ZINC000969784085 656004310 /nfs/dbraw/zinc/00/43/10/656004310.db2.gz JHUCPSWJGBGOPN-MRVPVSSYSA-N 1 2 278.316 -1.142 20 0 CAADLO Cn1ncc(C[NH2+][C@@H]2CCN(C(=O)C(N)=O)C2)n1 ZINC000969776840 656004363 /nfs/dbraw/zinc/00/43/63/656004363.db2.gz HDNUQADOPDUUHC-SSDOTTSWSA-N 1 2 252.278 -2.009 20 0 CAADLO Cc1nonc1C[NH2+][C@@H]1CCN(C(=O)C(N)=O)C1 ZINC000969777917 656004509 /nfs/dbraw/zinc/00/45/09/656004509.db2.gz QZTQGECWGGPPTR-SSDOTTSWSA-N 1 2 253.262 -1.446 20 0 CAADLO NC(=O)C(=O)N1CC[C@@H]([NH2+]Cc2nncs2)C1 ZINC000969786310 656004782 /nfs/dbraw/zinc/00/47/82/656004782.db2.gz YEPXMCWTYHQKJQ-ZCFIWIBFSA-N 1 2 255.303 -1.286 20 0 CAADLO C[C@@H](NC(=O)[C@@H]1CC(=O)N(C)C1)C1C[NH+](CC(N)=O)C1 ZINC000969789861 656004862 /nfs/dbraw/zinc/00/48/62/656004862.db2.gz SHCIAUGOJWHFAG-RKDXNWHRSA-N 1 2 282.344 -1.614 20 0 CAADLO C[C@@H](NC(=O)[C@H]1CCCNC1=O)C1C[NH+](CC(N)=O)C1 ZINC000969883167 656005244 /nfs/dbraw/zinc/00/52/44/656005244.db2.gz GHLVOTFMLDVGCA-SCZZXKLOSA-N 1 2 282.344 -1.566 20 0 CAADLO C[C@H](NC(=O)c1cn[nH]c(=O)c1)C1C[NH+](CC(N)=O)C1 ZINC000969902987 656005397 /nfs/dbraw/zinc/00/53/97/656005397.db2.gz RQWKIICEUAWTPL-ZETCQYMHSA-N 1 2 279.300 -1.282 20 0 CAADLO C[C@H](NC(=O)[C@H]1OCCO[C@H]1C)C1C[NH+](CC(N)=O)C1 ZINC000969873602 656005432 /nfs/dbraw/zinc/00/54/32/656005432.db2.gz QJZHEDJDJIXEMM-AUTRQRHGSA-N 1 2 285.344 -1.288 20 0 CAADLO C[C@H](NC(=O)c1cc(=O)n(C)cn1)C1C[NH+](CC(N)=O)C1 ZINC000969875890 656005492 /nfs/dbraw/zinc/00/54/92/656005492.db2.gz DQFZASAIFHZPDA-QMMMGPOBSA-N 1 2 293.327 -1.684 20 0 CAADLO Cn1nnc(C[NH2+][C@H]2C[C@H](NC(=O)[C@H]3C[C@H]3C(N)=O)C2)n1 ZINC001020596431 656005535 /nfs/dbraw/zinc/00/55/35/656005535.db2.gz QYOFKRURIRKESR-BGZDPUMWSA-N 1 2 293.331 -1.932 20 0 CAADLO C[C@@H](NC(=O)c1cn[nH]c(=O)c1)C1C[NH+](CC(N)=O)C1 ZINC000969902986 656005587 /nfs/dbraw/zinc/00/55/87/656005587.db2.gz RQWKIICEUAWTPL-SSDOTTSWSA-N 1 2 279.300 -1.282 20 0 CAADLO C[C@H](NC(=O)[C@H]1CCCNC1=O)C1C[NH+](CC(N)=O)C1 ZINC000969883171 656005759 /nfs/dbraw/zinc/00/57/59/656005759.db2.gz GHLVOTFMLDVGCA-WPRPVWTQSA-N 1 2 282.344 -1.566 20 0 CAADLO C[C@@H](NC(=O)[C@@H]1CCN(C)C(=O)C1)C1C[NH+](CC(N)=O)C1 ZINC000969986765 656005869 /nfs/dbraw/zinc/00/58/69/656005869.db2.gz DXQXLWCZHOBBNB-NXEZZACHSA-N 1 2 296.371 -1.223 20 0 CAADLO Cn1cnc(C(=O)N[C@@H]2CC[N@H+](CC(N)=O)C2)c1 ZINC001010569394 656006309 /nfs/dbraw/zinc/00/63/09/656006309.db2.gz XYVBHOKRNFKJID-MRVPVSSYSA-N 1 2 251.290 -1.291 20 0 CAADLO Cn1cnc(C(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C2)c1 ZINC001010569394 656006312 /nfs/dbraw/zinc/00/63/12/656006312.db2.gz XYVBHOKRNFKJID-MRVPVSSYSA-N 1 2 251.290 -1.291 20 0 CAADLO C[C@H](NC(=O)[C@H]1CCCC(=O)N1)C1C[NH+](CC(N)=O)C1 ZINC000969918214 656006388 /nfs/dbraw/zinc/00/63/88/656006388.db2.gz FQDFVGPVRUBZFJ-WCBMZHEXSA-N 1 2 282.344 -1.423 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@H](NC(=O)[C@H]2COCCO2)C1 ZINC001006806038 656006688 /nfs/dbraw/zinc/00/66/88/656006688.db2.gz KHXZICPICFSHFQ-VHSXEESVSA-N 1 2 271.317 -1.532 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@H](NC(=O)[C@H]2COCCO2)C1 ZINC001006806038 656006690 /nfs/dbraw/zinc/00/66/90/656006690.db2.gz KHXZICPICFSHFQ-VHSXEESVSA-N 1 2 271.317 -1.532 20 0 CAADLO C[C@H](NC(=O)c1ccc(=O)n(C)c1)C1C[NH+](CC(N)=O)C1 ZINC000970038939 656006776 /nfs/dbraw/zinc/00/67/76/656006776.db2.gz UHGHJPRUPOAYKY-VIFPVBQESA-N 1 2 292.339 -1.079 20 0 CAADLO C[C@H](NC(=O)c1ccn(C)c(=O)c1)C1C[NH+](CC(N)=O)C1 ZINC000969991318 656006839 /nfs/dbraw/zinc/00/68/39/656006839.db2.gz YKWHYSLYCWAAMS-VIFPVBQESA-N 1 2 292.339 -1.079 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2COCCO2)C1 ZINC001006806043 656006918 /nfs/dbraw/zinc/00/69/18/656006918.db2.gz KHXZICPICFSHFQ-ZJUUUORDSA-N 1 2 271.317 -1.532 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2COCCO2)C1 ZINC001006806043 656006920 /nfs/dbraw/zinc/00/69/20/656006920.db2.gz KHXZICPICFSHFQ-ZJUUUORDSA-N 1 2 271.317 -1.532 20 0 CAADLO C[C@@H](NC(=O)[C@H]1CCC(=O)NC1)C1C[NH+](CC(N)=O)C1 ZINC000970021352 656007000 /nfs/dbraw/zinc/00/70/00/656007000.db2.gz STZHIXFPPFTNTM-BDAKNGLRSA-N 1 2 282.344 -1.566 20 0 CAADLO C#CCNC(=O)C[N@H+]1CCc2nn(C)c(=O)cc2C1 ZINC000078620279 656007054 /nfs/dbraw/zinc/00/70/54/656007054.db2.gz SEDHHPXPPMAYAY-UHFFFAOYSA-N 1 2 260.297 -1.112 20 0 CAADLO C#CCNC(=O)C[N@@H+]1CCc2nn(C)c(=O)cc2C1 ZINC000078620279 656007058 /nfs/dbraw/zinc/00/70/58/656007058.db2.gz SEDHHPXPPMAYAY-UHFFFAOYSA-N 1 2 260.297 -1.112 20 0 CAADLO O=C(Cc1[nH]cc[nH+]1)N[C@@H]1CN(C(=O)C(F)F)C[C@@H]1O ZINC000970079535 656007516 /nfs/dbraw/zinc/00/75/16/656007516.db2.gz QYAADBCDRVFWSA-RQJHMYQMSA-N 1 2 288.254 -1.095 20 0 CAADLO NC(=O)CC(=O)N1C[C@@H](NC(=O)Cc2[nH]cc[nH+]2)[C@@H](O)C1 ZINC000970077007 656007778 /nfs/dbraw/zinc/00/77/78/656007778.db2.gz BBOPNXYRVFFYCA-SFYZADRCSA-N 1 2 295.299 -2.485 20 0 CAADLO Cn1nnc(C[NH2+][C@H]2C[C@H](NC(=O)Cc3ncc[nH]3)C2)n1 ZINC001020818965 656007922 /nfs/dbraw/zinc/00/79/22/656007922.db2.gz LXQOLDMWTLFLNO-KYZUINATSA-N 1 2 290.331 -1.087 20 0 CAADLO NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC000970118825 656007957 /nfs/dbraw/zinc/00/79/57/656007957.db2.gz JJYIVGLMEFAWGQ-RQJHMYQMSA-N 1 2 283.288 -2.740 20 0 CAADLO Cn1nncc1C[NH2+][C@H]1C[C@H](NC(=O)c2nnc[nH]2)C1 ZINC001020781885 656008015 /nfs/dbraw/zinc/00/80/15/656008015.db2.gz OGYVPAILKNAJAQ-ZKCHVHJHSA-N 1 2 276.304 -1.016 20 0 CAADLO Cn1nncc1C[NH2+][C@H]1C[C@H](NC(=O)c2ncn[nH]2)C1 ZINC001020781885 656008017 /nfs/dbraw/zinc/00/80/17/656008017.db2.gz OGYVPAILKNAJAQ-ZKCHVHJHSA-N 1 2 276.304 -1.016 20 0 CAADLO Cn1nncc1C[NH2+][C@H]1C[C@H](NC(=O)c2nc[nH]n2)C1 ZINC001020781885 656008020 /nfs/dbraw/zinc/00/80/20/656008020.db2.gz OGYVPAILKNAJAQ-ZKCHVHJHSA-N 1 2 276.304 -1.016 20 0 CAADLO C[C@H]([NH2+][C@H]1C[C@H](NC(=O)c2cnon2)C1)C(N)=O ZINC001020786185 656008025 /nfs/dbraw/zinc/00/80/25/656008025.db2.gz RBTYLIVIADUWPQ-ACZMJKKPSA-N 1 2 253.262 -1.206 20 0 CAADLO CN1CC[C@H]([NH2+][C@H]2C[C@H](NC(=O)c3nnc[nH]3)C2)C1=O ZINC001020777257 656008082 /nfs/dbraw/zinc/00/80/82/656008082.db2.gz SVQRMFBJVWYPDA-CIUDSAMLSA-N 1 2 278.316 -1.114 20 0 CAADLO CN1CC[C@H]([NH2+][C@H]2C[C@H](NC(=O)c3ncn[nH]3)C2)C1=O ZINC001020777257 656008084 /nfs/dbraw/zinc/00/80/84/656008084.db2.gz SVQRMFBJVWYPDA-CIUDSAMLSA-N 1 2 278.316 -1.114 20 0 CAADLO CN1CC[C@H]([NH2+][C@H]2C[C@H](NC(=O)c3nc[nH]n3)C2)C1=O ZINC001020777257 656008087 /nfs/dbraw/zinc/00/80/87/656008087.db2.gz SVQRMFBJVWYPDA-CIUDSAMLSA-N 1 2 278.316 -1.114 20 0 CAADLO O=C(N[C@@H]1C[C@@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1)c1cnon1 ZINC001020786680 656008098 /nfs/dbraw/zinc/00/80/98/656008098.db2.gz ATRNUMRXTLGZMG-BWZBUEFSSA-N 1 2 293.283 -1.275 20 0 CAADLO O=C([C@@H]1CC(=O)NC(=O)N1)N1CC[C@@H]([NH2+]CCO)C1 ZINC000970119174 656008169 /nfs/dbraw/zinc/00/81/69/656008169.db2.gz ODAYLDKBAYIEII-SFYZADRCSA-N 1 2 270.289 -2.233 20 0 CAADLO Cn1ncnc1C[NH2+][C@H]1C[C@H](NC(=O)c2nnc[nH]2)C1 ZINC001020781023 656008188 /nfs/dbraw/zinc/00/81/88/656008188.db2.gz DCABTSIUYHAZQU-ZKCHVHJHSA-N 1 2 276.304 -1.016 20 0 CAADLO Cn1ncnc1C[NH2+][C@H]1C[C@H](NC(=O)c2ncn[nH]2)C1 ZINC001020781023 656008190 /nfs/dbraw/zinc/00/81/90/656008190.db2.gz DCABTSIUYHAZQU-ZKCHVHJHSA-N 1 2 276.304 -1.016 20 0 CAADLO Cn1ncnc1C[NH2+][C@H]1C[C@H](NC(=O)c2nc[nH]n2)C1 ZINC001020781023 656008192 /nfs/dbraw/zinc/00/81/92/656008192.db2.gz DCABTSIUYHAZQU-ZKCHVHJHSA-N 1 2 276.304 -1.016 20 0 CAADLO C[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC000970119057 656008303 /nfs/dbraw/zinc/00/83/03/656008303.db2.gz NNAWZDKGOFXLQO-HLTSFMKQSA-N 1 2 284.316 -1.844 20 0 CAADLO O=C(N[C@H]1C[C@H]([NH2+][C@@H]2CCNC2=O)C1)c1cnon1 ZINC001020785575 656008361 /nfs/dbraw/zinc/00/83/61/656008361.db2.gz FNPGNRLJJQCRSI-BWZBUEFSSA-N 1 2 265.273 -1.192 20 0 CAADLO Cn1nnc(C[NH2+][C@H]2C[C@H](NC(=O)Cc3nc[nH]n3)C2)n1 ZINC001020903668 656008685 /nfs/dbraw/zinc/00/86/85/656008685.db2.gz DHTCEUVCUOVDKW-ZKCHVHJHSA-N 1 2 291.319 -1.692 20 0 CAADLO NC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1c[nH+]c[nH]1 ZINC000970149505 656008868 /nfs/dbraw/zinc/00/88/68/656008868.db2.gz RZZMIQDHDVOUQV-AOOOYVTPSA-N 1 2 291.311 -1.361 20 0 CAADLO NC(=O)C(=O)N[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@@H]1O ZINC000970196108 656011413 /nfs/dbraw/zinc/01/14/13/656011413.db2.gz QMYBXXRJZIETAP-SFYZADRCSA-N 1 2 295.299 -2.485 20 0 CAADLO NC(=O)C(=O)N[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1O ZINC000970199936 656011779 /nfs/dbraw/zinc/01/17/79/656011779.db2.gz IGPHVQHAHCDZIF-RQJHMYQMSA-N 1 2 281.272 -2.875 20 0 CAADLO C[C@H](NC(=O)c1coc(C(N)=O)c1)C1C[NH+](CC(N)=O)C1 ZINC000970209415 656012044 /nfs/dbraw/zinc/01/20/44/656012044.db2.gz FWOFLVAMPAXOTJ-ZETCQYMHSA-N 1 2 294.311 -1.086 20 0 CAADLO C[C@@H](NC(=O)[C@@H]1CCNC(=O)CC1)C1C[NH+](CC(N)=O)C1 ZINC000970215669 656012546 /nfs/dbraw/zinc/01/25/46/656012546.db2.gz BGWBVHBASGNQBO-ZJUUUORDSA-N 1 2 296.371 -1.176 20 0 CAADLO C[C@@H](NC(=O)[C@H]1CCNC(=O)CC1)C1C[NH+](CC(N)=O)C1 ZINC000970215664 656012661 /nfs/dbraw/zinc/01/26/61/656012661.db2.gz BGWBVHBASGNQBO-NXEZZACHSA-N 1 2 296.371 -1.176 20 0 CAADLO NC(=O)C(=O)N[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1O ZINC000970205321 656012815 /nfs/dbraw/zinc/01/28/15/656012815.db2.gz LDYIIQSRFCTRGN-SFYZADRCSA-N 1 2 281.272 -2.875 20 0 CAADLO C[C@@H](NC(=O)[C@@H]1CN(C)C(=O)N1)C1C[NH+](CC(N)=O)C1 ZINC000970269577 656013224 /nfs/dbraw/zinc/01/32/24/656013224.db2.gz ASPAXORHAMCXRU-APPZFPTMSA-N 1 2 283.332 -2.068 20 0 CAADLO C[C@@H](NC(=O)[C@@H]1CCC(=O)N1C)C1C[NH+](CC(N)=O)C1 ZINC000970275765 656013288 /nfs/dbraw/zinc/01/32/88/656013288.db2.gz AWTACIDALXWKHU-SCZZXKLOSA-N 1 2 282.344 -1.471 20 0 CAADLO Cc1nn[nH]c1C(=O)N[C@H](C)C1C[NH+](CC(N)=O)C1 ZINC000970254559 656013500 /nfs/dbraw/zinc/01/35/00/656013500.db2.gz BZERVGVEPPJXCK-ZCFIWIBFSA-N 1 2 266.305 -1.351 20 0 CAADLO C[C@H](NC(=O)[C@@H]1CCNC1=O)C1C[NH+](CC(N)=O)C1 ZINC000970269222 656013536 /nfs/dbraw/zinc/01/35/36/656013536.db2.gz VDZAKAPSBPNBBB-IONNQARKSA-N 1 2 268.317 -1.956 20 0 CAADLO C[C@@H](NC(=O)[C@H]1[C@@H]2COC[C@@H]21)C1C[NH+](CC(N)=O)C1 ZINC000970281717 656013552 /nfs/dbraw/zinc/01/35/52/656013552.db2.gz JYSGHSLIFBGEOR-BXSSEVMYSA-N 1 2 267.329 -1.199 20 0 CAADLO C[C@@H](NC(=O)[C@H]1CCC(=O)N1C)C1C[NH+](CC(N)=O)C1 ZINC000970316009 656014050 /nfs/dbraw/zinc/01/40/50/656014050.db2.gz AWTACIDALXWKHU-PSASIEDQSA-N 1 2 282.344 -1.471 20 0 CAADLO Cn1[nH]c(C[NH2+][C@@H]2CCN(C(=O)c3nc[nH]n3)C2)nc1=O ZINC000970295264 656014055 /nfs/dbraw/zinc/01/40/55/656014055.db2.gz JRTCHKJVTXRGKP-SSDOTTSWSA-N 1 2 292.303 -1.769 20 0 CAADLO C[C@@H](NC(=O)[C@H]1CCN(C)C1=O)C1C[NH+](CC(N)=O)C1 ZINC000970294079 656014069 /nfs/dbraw/zinc/01/40/69/656014069.db2.gz WOAVAJHOLOSFKE-PSASIEDQSA-N 1 2 282.344 -1.614 20 0 CAADLO Cn1[nH]c(C[NH2+][C@@H]2CCN(C(=O)c3cnon3)C2)nc1=O ZINC000970304098 656014156 /nfs/dbraw/zinc/01/41/56/656014156.db2.gz RVBVHWDQIPXIIL-SSDOTTSWSA-N 1 2 293.287 -1.504 20 0 CAADLO C[C@@H](NC(=O)c1nnn(C)n1)C1C[NH+]([C@@H](C)C(N)=O)C1 ZINC000970288904 656014234 /nfs/dbraw/zinc/01/42/34/656014234.db2.gz YXSTXLDVYMZYDZ-RQJHMYQMSA-N 1 2 281.320 -1.866 20 0 CAADLO C[C@@H](NC(=O)c1c[nH]c(=O)cn1)C1C[NH+](CC(N)=O)C1 ZINC000970338589 656014441 /nfs/dbraw/zinc/01/44/41/656014441.db2.gz FESVYUMXIDGJEG-SSDOTTSWSA-N 1 2 279.300 -1.695 20 0 CAADLO C[C@H](NC(=O)[C@H]1CNC(=O)N1)C1C[NH+](CC(N)=O)C1 ZINC000970355884 656014584 /nfs/dbraw/zinc/01/45/84/656014584.db2.gz BKVAJFQTIYJVBN-POYBYMJQSA-N 1 2 269.305 -2.410 20 0 CAADLO C[C@H](NC(=O)[C@@H]1CNC(=O)N1)C1C[NH+](CC(N)=O)C1 ZINC000970355886 656014766 /nfs/dbraw/zinc/01/47/66/656014766.db2.gz BKVAJFQTIYJVBN-XPUUQOCRSA-N 1 2 269.305 -2.410 20 0 CAADLO C[C@@H](NC(=O)[C@@H]1CNC(=O)N1)C1C[NH+](CC(N)=O)C1 ZINC000970355885 656014876 /nfs/dbraw/zinc/01/48/76/656014876.db2.gz BKVAJFQTIYJVBN-SVRRBLITSA-N 1 2 269.305 -2.410 20 0 CAADLO Cn1nncc1C[NH2+][C@@H]1CCN(C(=O)Cc2ncn[nH]2)C1 ZINC000970445347 656015104 /nfs/dbraw/zinc/01/51/04/656015104.db2.gz CDYXJXAINXPDSZ-SECBINFHSA-N 1 2 290.331 -1.134 20 0 CAADLO C[C@@H](NC(=O)[C@H]1CC[C@@H](C(N)=O)C1)C1C[NH+](CC(N)=O)C1 ZINC000970434033 656015143 /nfs/dbraw/zinc/01/51/43/656015143.db2.gz OOEPYGFLIKTYRS-BBBLOLIVSA-N 1 2 296.371 -1.190 20 0 CAADLO C[C@H](NC(=O)c1ccc(C(N)=O)[nH]1)C1C[NH+](CC(N)=O)C1 ZINC000970434776 656015415 /nfs/dbraw/zinc/01/54/15/656015415.db2.gz UXZOSYRRNDSHJX-ZETCQYMHSA-N 1 2 293.327 -1.351 20 0 CAADLO C[C@H](NC(=O)[C@H]1CC[C@@H](C(N)=O)O1)C1C[NH+](CC(N)=O)C1 ZINC000970420828 656015478 /nfs/dbraw/zinc/01/54/78/656015478.db2.gz SHFNFPWKGYULOB-UJNFCWOMSA-N 1 2 298.343 -2.059 20 0 CAADLO C[C@@H](NC(=O)[C@H]1CCCCC(=O)N1)C1C[NH+](CC(N)=O)C1 ZINC000970411820 656015500 /nfs/dbraw/zinc/01/55/00/656015500.db2.gz KHBLDDRSILULBL-MWLCHTKSSA-N 1 2 296.371 -1.033 20 0 CAADLO C[C@@H](NC(=O)[C@@H]1CC(=O)NC(=O)N1)C1C[NH+](CC(N)=O)C1 ZINC000970502050 656015797 /nfs/dbraw/zinc/01/57/97/656015797.db2.gz ATOXQEZVAJVOBP-SVRRBLITSA-N 1 2 297.315 -2.494 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H]2COCCN2C)C1 ZINC001010696809 656015879 /nfs/dbraw/zinc/01/58/79/656015879.db2.gz TXMPDTRODKUBHT-WDEREUQCSA-N 1 2 284.360 -1.747 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@H]2COCCN2C)C1 ZINC001010696809 656015882 /nfs/dbraw/zinc/01/58/82/656015882.db2.gz TXMPDTRODKUBHT-WDEREUQCSA-N 1 2 284.360 -1.747 20 0 CAADLO C[C@H](NC(=O)C1CC(=O)NC(=O)C1)C1C[NH+](CC(N)=O)C1 ZINC000970577987 656016328 /nfs/dbraw/zinc/01/63/28/656016328.db2.gz TTZVEPRVORELFC-ZETCQYMHSA-N 1 2 296.327 -2.039 20 0 CAADLO C[C@@H](NC(=O)c1cnn(C)n1)C1C[NH+](CC(N)=O)C1 ZINC000970584450 656016363 /nfs/dbraw/zinc/01/63/63/656016363.db2.gz WCVNHZMDYQLNNE-SSDOTTSWSA-N 1 2 266.305 -1.650 20 0 CAADLO C[C@H](NC(=O)c1cnn(C)n1)C1C[NH+]([C@@H](C)C(N)=O)C1 ZINC000970582390 656016430 /nfs/dbraw/zinc/01/64/30/656016430.db2.gz FXNYVLYEFHFAOH-YUMQZZPRSA-N 1 2 280.332 -1.261 20 0 CAADLO C[C@@H](NC(=O)c1cnon1)C1C[NH+]([C@@H](C)C(N)=O)C1 ZINC000970620203 656017213 /nfs/dbraw/zinc/01/72/13/656017213.db2.gz SRZCEIXZLUWLKU-RQJHMYQMSA-N 1 2 267.289 -1.007 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C2CN(C(C)=O)C2)C1 ZINC001010753919 656017824 /nfs/dbraw/zinc/01/78/24/656017824.db2.gz NVSDKXURPWBERH-LLVKDONJSA-N 1 2 282.344 -1.599 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)C2CN(C(C)=O)C2)C1 ZINC001010753919 656017829 /nfs/dbraw/zinc/01/78/29/656017829.db2.gz NVSDKXURPWBERH-LLVKDONJSA-N 1 2 282.344 -1.599 20 0 CAADLO C[C@H](NC(=O)c1cccn(C)c1=O)C1C[NH+](CC(N)=O)C1 ZINC000970758059 656018287 /nfs/dbraw/zinc/01/82/87/656018287.db2.gz VYPZJPHPJKXSFD-VIFPVBQESA-N 1 2 292.339 -1.079 20 0 CAADLO C[C@@H](NC(=O)c1ccn(C)n1)C1C[NH+](CC(N)=O)C1 ZINC000970880791 656019603 /nfs/dbraw/zinc/01/96/03/656019603.db2.gz QKQRARLITQFNAB-MRVPVSSYSA-N 1 2 265.317 -1.045 20 0 CAADLO C[C@@H](NC(=O)c1c[nH]c(C(N)=O)c1)C1C[NH+](CC(N)=O)C1 ZINC000970883916 656019801 /nfs/dbraw/zinc/01/98/01/656019801.db2.gz OXAGHGXIXTWNAX-SSDOTTSWSA-N 1 2 293.327 -1.351 20 0 CAADLO C[C@H](NC(=O)c1c[nH]c(C(N)=O)c1)C1C[NH+](CC(N)=O)C1 ZINC000970883918 656019956 /nfs/dbraw/zinc/01/99/56/656019956.db2.gz OXAGHGXIXTWNAX-ZETCQYMHSA-N 1 2 293.327 -1.351 20 0 CAADLO C[C@H](NC(=O)[C@@H]1CCC(=O)N(C)C1)C1C[NH+](CC(N)=O)C1 ZINC000970931155 656020183 /nfs/dbraw/zinc/02/01/83/656020183.db2.gz JZMJITVZHKHOFE-VHSXEESVSA-N 1 2 296.371 -1.223 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)c2cnnn2C)C1 ZINC001010839522 656020259 /nfs/dbraw/zinc/02/02/59/656020259.db2.gz HXHVGYJXXOZGGZ-RKDXNWHRSA-N 1 2 280.332 -1.246 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+]1CC[C@@H](NC(=O)c2cnnn2C)C1 ZINC001010839522 656020262 /nfs/dbraw/zinc/02/02/62/656020262.db2.gz HXHVGYJXXOZGGZ-RKDXNWHRSA-N 1 2 280.332 -1.246 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+]1CC[C@H](NC(=O)c2cnnn2C)C1 ZINC001010839521 656020401 /nfs/dbraw/zinc/02/04/01/656020401.db2.gz HXHVGYJXXOZGGZ-IUCAKERBSA-N 1 2 280.332 -1.246 20 0 CAADLO CNC(=O)[C@H](C)[N@H+]1CC[C@H](NC(=O)c2cnnn2C)C1 ZINC001010839521 656020403 /nfs/dbraw/zinc/02/04/03/656020403.db2.gz HXHVGYJXXOZGGZ-IUCAKERBSA-N 1 2 280.332 -1.246 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+]1CC[C@H](NC(=O)c2cnnn2C)C1 ZINC001010839519 656020437 /nfs/dbraw/zinc/02/04/37/656020437.db2.gz HXHVGYJXXOZGGZ-BDAKNGLRSA-N 1 2 280.332 -1.246 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+]1CC[C@H](NC(=O)c2cnnn2C)C1 ZINC001010839519 656020439 /nfs/dbraw/zinc/02/04/39/656020439.db2.gz HXHVGYJXXOZGGZ-BDAKNGLRSA-N 1 2 280.332 -1.246 20 0 CAADLO Cn1nncc1C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2COC(=O)N2)C1 ZINC001010838069 656020476 /nfs/dbraw/zinc/02/04/76/656020476.db2.gz DWTKHAQXWLBECE-SCZZXKLOSA-N 1 2 294.315 -1.386 20 0 CAADLO Cn1nncc1C[N@H+]1CC[C@@H](NC(=O)[C@@H]2COC(=O)N2)C1 ZINC001010838069 656020477 /nfs/dbraw/zinc/02/04/77/656020477.db2.gz DWTKHAQXWLBECE-SCZZXKLOSA-N 1 2 294.315 -1.386 20 0 CAADLO Cn1cc(C(=O)N[C@@H]2CC[N@@H+]([C@H]3CCNC3=O)C2)nn1 ZINC001010847707 656020519 /nfs/dbraw/zinc/02/05/19/656020519.db2.gz BTKVNICTNGBEQX-SCZZXKLOSA-N 1 2 278.316 -1.492 20 0 CAADLO Cn1cc(C(=O)N[C@@H]2CC[N@H+]([C@H]3CCNC3=O)C2)nn1 ZINC001010847707 656020520 /nfs/dbraw/zinc/02/05/20/656020520.db2.gz BTKVNICTNGBEQX-SCZZXKLOSA-N 1 2 278.316 -1.492 20 0 CAADLO O=C(Cc1c[nH]c[nH+]1)N[C@@H]1CN(C(=O)C(F)F)C[C@@H]1O ZINC000970951460 656020526 /nfs/dbraw/zinc/02/05/26/656020526.db2.gz SHMOJFUQUOSRLD-SFYZADRCSA-N 1 2 288.254 -1.095 20 0 CAADLO C[C@H](NC(=O)c1cn(C)c(=O)n1C)C1C[NH+](CC(N)=O)C1 ZINC000970942436 656020595 /nfs/dbraw/zinc/02/05/95/656020595.db2.gz SETCWEYIQLORSF-QMMMGPOBSA-N 1 2 295.343 -1.741 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+]1CC[C@@H](NC(=O)c2cnnn2C)C1 ZINC001010839520 656020644 /nfs/dbraw/zinc/02/06/44/656020644.db2.gz HXHVGYJXXOZGGZ-DTWKUNHWSA-N 1 2 280.332 -1.246 20 0 CAADLO CNC(=O)[C@H](C)[N@H+]1CC[C@@H](NC(=O)c2cnnn2C)C1 ZINC001010839520 656020645 /nfs/dbraw/zinc/02/06/45/656020645.db2.gz HXHVGYJXXOZGGZ-DTWKUNHWSA-N 1 2 280.332 -1.246 20 0 CAADLO Cc1nonc1C(=O)N[C@@H](C)C1C[NH+](CC(N)=O)C1 ZINC000970976983 656020684 /nfs/dbraw/zinc/02/06/84/656020684.db2.gz YKYSXYUDGPCVRD-LURJTMIESA-N 1 2 267.289 -1.087 20 0 CAADLO Cn1nncc1C[N@@H+]1CC[C@H](NC(=O)[C@@H]2COC(=O)N2)C1 ZINC001010838074 656020689 /nfs/dbraw/zinc/02/06/89/656020689.db2.gz DWTKHAQXWLBECE-WPRPVWTQSA-N 1 2 294.315 -1.386 20 0 CAADLO Cn1nncc1C[N@H+]1CC[C@H](NC(=O)[C@@H]2COC(=O)N2)C1 ZINC001010838074 656020692 /nfs/dbraw/zinc/02/06/92/656020692.db2.gz DWTKHAQXWLBECE-WPRPVWTQSA-N 1 2 294.315 -1.386 20 0 CAADLO CN(C[C@H](O)C[NH+]1CCOCC1)[C@H]1CCOC1=O ZINC000246616959 656021284 /nfs/dbraw/zinc/02/12/84/656021284.db2.gz YPVVMWDYJDWCEM-QWRGUYRKSA-N 1 2 258.318 -1.073 20 0 CAADLO CC(=O)[C@@](C)(O)C[N@@H+]1CCN2[C@H](CNS2(=O)=O)C1 ZINC000933099724 656021982 /nfs/dbraw/zinc/02/19/82/656021982.db2.gz BEZDMWFXUIJPIW-ZJUUUORDSA-N 1 2 277.346 -1.839 20 0 CAADLO CC(=O)[C@@](C)(O)C[N@H+]1CCN2[C@H](CNS2(=O)=O)C1 ZINC000933099724 656021984 /nfs/dbraw/zinc/02/19/84/656021984.db2.gz BEZDMWFXUIJPIW-ZJUUUORDSA-N 1 2 277.346 -1.839 20 0 CAADLO Nc1cc(C[N@@H+]2CCN3[C@H](CNS3(=O)=O)C2)ccn1 ZINC000933099268 656022294 /nfs/dbraw/zinc/02/22/94/656022294.db2.gz UJTGHWIGSUMRPO-SNVBAGLBSA-N 1 2 283.357 -1.002 20 0 CAADLO Nc1cc(C[N@H+]2CCN3[C@H](CNS3(=O)=O)C2)ccn1 ZINC000933099268 656022295 /nfs/dbraw/zinc/02/22/95/656022295.db2.gz UJTGHWIGSUMRPO-SNVBAGLBSA-N 1 2 283.357 -1.002 20 0 CAADLO CN1CCC[C@@H]([N@@H+]2CCN3[C@@H](CNS3(=O)=O)C2)C1=O ZINC000933099286 656022299 /nfs/dbraw/zinc/02/22/99/656022299.db2.gz UNMNKNKOJHIQIN-VHSXEESVSA-N 1 2 288.373 -1.559 20 0 CAADLO CN1CCC[C@@H]([N@H+]2CCN3[C@@H](CNS3(=O)=O)C2)C1=O ZINC000933099286 656022302 /nfs/dbraw/zinc/02/23/02/656022302.db2.gz UNMNKNKOJHIQIN-VHSXEESVSA-N 1 2 288.373 -1.559 20 0 CAADLO O=c1ccccn1CC[N@@H+]1CCN2[C@H](CNS2(=O)=O)C1 ZINC000933099062 656022308 /nfs/dbraw/zinc/02/23/08/656022308.db2.gz PUEUZGJHPBTNHT-LLVKDONJSA-N 1 2 298.368 -1.318 20 0 CAADLO O=c1ccccn1CC[N@H+]1CCN2[C@H](CNS2(=O)=O)C1 ZINC000933099062 656022311 /nfs/dbraw/zinc/02/23/11/656022311.db2.gz PUEUZGJHPBTNHT-LLVKDONJSA-N 1 2 298.368 -1.318 20 0 CAADLO CN1CCC[C@H]([N@@H+]2CCN3[C@@H](CNS3(=O)=O)C2)C1=O ZINC000933099282 656022316 /nfs/dbraw/zinc/02/23/16/656022316.db2.gz UNMNKNKOJHIQIN-UWVGGRQHSA-N 1 2 288.373 -1.559 20 0 CAADLO CN1CCC[C@H]([N@H+]2CCN3[C@@H](CNS3(=O)=O)C2)C1=O ZINC000933099282 656022319 /nfs/dbraw/zinc/02/23/19/656022319.db2.gz UNMNKNKOJHIQIN-UWVGGRQHSA-N 1 2 288.373 -1.559 20 0 CAADLO Cn1nnc(C[NH2+][C@H]2C[C@@H](NC(=O)C3=COCCO3)C2)n1 ZINC001021802978 656022527 /nfs/dbraw/zinc/02/25/27/656022527.db2.gz ZOICEANLFBVWSH-DTORHVGOSA-N 1 2 294.315 -1.165 20 0 CAADLO NC(=O)C(=O)NC1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC000947275526 656022647 /nfs/dbraw/zinc/02/26/47/656022647.db2.gz ZOVWBTNNJYWFLA-UHFFFAOYSA-N 1 2 279.300 -1.524 20 0 CAADLO Cn1nnc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3COCCO3)C2)n1 ZINC001021850323 656023401 /nfs/dbraw/zinc/02/34/01/656023401.db2.gz HGJHVJQLSILKTH-KXUCPTDWSA-N 1 2 296.331 -1.638 20 0 CAADLO Cn1nnnc1C[NH2+][C@H]1C[C@@H](NC(=O)c2cnn[nH]2)C1 ZINC001022349926 656028397 /nfs/dbraw/zinc/02/83/97/656028397.db2.gz FJCNBPLAIYBRIL-KNVOCYPGSA-N 1 2 277.292 -1.621 20 0 CAADLO Cn1nnnc1C[NH2+][C@H]1C[C@@H](NC(=O)c2cn[nH]n2)C1 ZINC001022349926 656028392 /nfs/dbraw/zinc/02/83/92/656028392.db2.gz FJCNBPLAIYBRIL-KNVOCYPGSA-N 1 2 277.292 -1.621 20 0 CAADLO Cn1[nH]c(C[NH2+][C@H]2C[C@@H](NC(=O)c3cn[nH]n3)C2)nc1=O ZINC001022351633 656028426 /nfs/dbraw/zinc/02/84/26/656028426.db2.gz DZNWGFSKPHAZQN-KNVOCYPGSA-N 1 2 292.303 -1.723 20 0 CAADLO Cn1[nH]c(C[NH2+][C@H]2C[C@@H](NC(=O)c3cnn[nH]3)C2)nc1=O ZINC001022351633 656028429 /nfs/dbraw/zinc/02/84/29/656028429.db2.gz DZNWGFSKPHAZQN-KNVOCYPGSA-N 1 2 292.303 -1.723 20 0 CAADLO Cn1cc(C[NH2+][C@H]2C[C@@H](NC(=O)c3cnn[nH]3)C2)nn1 ZINC001022351565 656028730 /nfs/dbraw/zinc/02/87/30/656028730.db2.gz CFAWZTLTIPYGTB-OCAPTIKFSA-N 1 2 276.304 -1.016 20 0 CAADLO Cn1cc(S(=O)(=O)NCC[N@@H+]2CC[C@H]2CO)cn1 ZINC000934026462 656029790 /nfs/dbraw/zinc/02/97/90/656029790.db2.gz MZWFKCXVWLRUKJ-VIFPVBQESA-N 1 2 274.346 -1.235 20 0 CAADLO Cn1cc(S(=O)(=O)NCC[N@H+]2CC[C@H]2CO)cn1 ZINC000934026462 656029791 /nfs/dbraw/zinc/02/97/91/656029791.db2.gz MZWFKCXVWLRUKJ-VIFPVBQESA-N 1 2 274.346 -1.235 20 0 CAADLO Cn1nnc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CCNC3=O)C2)n1 ZINC001022536793 656029847 /nfs/dbraw/zinc/02/98/47/656029847.db2.gz BFVJEHIMPIOMPK-HRDYMLBCSA-N 1 2 293.331 -1.917 20 0 CAADLO Cn1nnc(C[NH2+][C@H]2C[C@@H](NC(=O)c3nnn(C)n3)C2)n1 ZINC001022559334 656031251 /nfs/dbraw/zinc/03/12/51/656031251.db2.gz NENIZDVBALMEAV-KNVOCYPGSA-N 1 2 292.307 -2.216 20 0 CAADLO NC(=O)C(=O)N1CC[C@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]21 ZINC001022558410 656031275 /nfs/dbraw/zinc/03/12/75/656031275.db2.gz ZRUHQVHWNFJULB-VHSXEESVSA-N 1 2 291.311 -1.572 20 0 CAADLO Cn1nnc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CNC(=O)N3)C2)n1 ZINC001022630021 656032222 /nfs/dbraw/zinc/03/22/22/656032222.db2.gz KMLSAUAKIYZPFY-RNJXMRFFSA-N 1 2 294.319 -2.372 20 0 CAADLO CCc1nc(C[NH2+][C@H]2C[C@@H](NC(=O)C(N)=O)C2)no1 ZINC001022633721 656032483 /nfs/dbraw/zinc/03/24/83/656032483.db2.gz SOBWZPHGKHTZMQ-KNVOCYPGSA-N 1 2 267.289 -1.146 20 0 CAADLO CC(C)(C)n1nnc(C[NH2+][C@H]2C[C@@H](NC(=O)C(N)=O)C2)n1 ZINC001022636075 656033035 /nfs/dbraw/zinc/03/30/35/656033035.db2.gz PFDLRHBXCJDFRJ-OCAPTIKFSA-N 1 2 295.347 -1.350 20 0 CAADLO CC(=O)N[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1O ZINC001022851915 656036489 /nfs/dbraw/zinc/03/64/89/656036489.db2.gz KGBUNSSENBDGKM-GHMZBOCLSA-N 1 2 266.301 -1.330 20 0 CAADLO Cn1ncc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3nnn(C)n3)C2)n1 ZINC001022851486 656036681 /nfs/dbraw/zinc/03/66/81/656036681.db2.gz NUOXIDPHPFZHFO-OCAPTIKFSA-N 1 2 291.319 -1.611 20 0 CAADLO O=C(Cc1[nH]cc[nH+]1)N1C[C@@H](O)[C@H](NC(=O)C(F)F)C1 ZINC001022858618 656037943 /nfs/dbraw/zinc/03/79/43/656037943.db2.gz GUAZUTXEYXGEIS-RNFRBKRXSA-N 1 2 288.254 -1.095 20 0 CAADLO Cn1ncnc1C[NH2+][C@H]1C[C@@H](NC(=O)c2ncn[nH]2)C1 ZINC001022868934 656038640 /nfs/dbraw/zinc/03/86/40/656038640.db2.gz DCABTSIUYHAZQU-OCAPTIKFSA-N 1 2 276.304 -1.016 20 0 CAADLO Cn1ncnc1C[NH2+][C@H]1C[C@@H](NC(=O)c2nc[nH]n2)C1 ZINC001022868934 656038641 /nfs/dbraw/zinc/03/86/41/656038641.db2.gz DCABTSIUYHAZQU-OCAPTIKFSA-N 1 2 276.304 -1.016 20 0 CAADLO Cn1ncc(C[NH2+][C@H]2C[C@@H](NC(=O)c3nnc[nH]3)C2)n1 ZINC001022866936 656038745 /nfs/dbraw/zinc/03/87/45/656038745.db2.gz QTBADYZIZNHQGX-OCAPTIKFSA-N 1 2 276.304 -1.016 20 0 CAADLO Cn1ncc(C[NH2+][C@H]2C[C@@H](NC(=O)c3ncn[nH]3)C2)n1 ZINC001022866936 656038749 /nfs/dbraw/zinc/03/87/49/656038749.db2.gz QTBADYZIZNHQGX-OCAPTIKFSA-N 1 2 276.304 -1.016 20 0 CAADLO Cn1ncc(C[NH2+][C@H]2C[C@@H](NC(=O)c3nc[nH]n3)C2)n1 ZINC001022866936 656038754 /nfs/dbraw/zinc/03/87/54/656038754.db2.gz QTBADYZIZNHQGX-OCAPTIKFSA-N 1 2 276.304 -1.016 20 0 CAADLO Cn1nnnc1C[NH2+][C@H]1C[C@@H](NC(=O)c2nnc[nH]2)C1 ZINC001022868996 656038778 /nfs/dbraw/zinc/03/87/78/656038778.db2.gz GTDWIBVBCAIVCO-KNVOCYPGSA-N 1 2 277.292 -1.621 20 0 CAADLO Cn1nnnc1C[NH2+][C@H]1C[C@@H](NC(=O)c2ncn[nH]2)C1 ZINC001022868996 656038779 /nfs/dbraw/zinc/03/87/79/656038779.db2.gz GTDWIBVBCAIVCO-KNVOCYPGSA-N 1 2 277.292 -1.621 20 0 CAADLO Cn1nnnc1C[NH2+][C@H]1C[C@@H](NC(=O)c2nc[nH]n2)C1 ZINC001022868996 656038783 /nfs/dbraw/zinc/03/87/83/656038783.db2.gz GTDWIBVBCAIVCO-KNVOCYPGSA-N 1 2 277.292 -1.621 20 0 CAADLO Cn1nnc(C[NH2+][C@H]2C[C@@H](NC(=O)c3cnon3)C2)n1 ZINC001022871191 656039356 /nfs/dbraw/zinc/03/93/56/656039356.db2.gz IBFHZCGSEAKMDP-KNVOCYPGSA-N 1 2 278.276 -1.356 20 0 CAADLO Cn1nnnc1C[NH2+][C@H]1C[C@@H](NC(=O)Cc2nnc[nH]2)C1 ZINC001022953372 656040361 /nfs/dbraw/zinc/04/03/61/656040361.db2.gz PCCVEMPTPJNMKZ-OCAPTIKFSA-N 1 2 291.319 -1.692 20 0 CAADLO Cn1nnc(C[NH2+][C@H]2C[C@@H](NC(=O)Cc3nc[nH]n3)C2)n1 ZINC001022953025 656040391 /nfs/dbraw/zinc/04/03/91/656040391.db2.gz DHTCEUVCUOVDKW-OCAPTIKFSA-N 1 2 291.319 -1.692 20 0 CAADLO Cn1nnc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CCC(=O)N3)C2)n1 ZINC001022995885 656040986 /nfs/dbraw/zinc/04/09/86/656040986.db2.gz FRWDABNOVDUKMJ-YIZRAAEISA-N 1 2 293.331 -1.775 20 0 CAADLO Cc1nonc1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2nnn(C)n2)C1 ZINC001023163148 656043424 /nfs/dbraw/zinc/04/34/24/656043424.db2.gz GDRLXNAVWBWMQL-OCAPTIKFSA-N 1 2 292.303 -1.048 20 0 CAADLO O=C(NC[C@H]1C[NH+]2CCN1CC2)[C@@H]1CSCC(=O)N1 ZINC000935015391 656044600 /nfs/dbraw/zinc/04/46/00/656044600.db2.gz JFMQHMUUPVBPJA-UWVGGRQHSA-N 1 2 284.385 -1.666 20 0 CAADLO O=C(c1cnon1)N1CC[C@]2(C1)C[N@H+](CCO)CCO2 ZINC000972609333 656048520 /nfs/dbraw/zinc/04/85/20/656048520.db2.gz PUBUSDPMRMWAMU-GFCCVEGCSA-N 1 2 282.300 -1.021 20 0 CAADLO O=C(c1cnon1)N1CC[C@]2(C1)C[N@@H+](CCO)CCO2 ZINC000972609333 656048523 /nfs/dbraw/zinc/04/85/23/656048523.db2.gz PUBUSDPMRMWAMU-GFCCVEGCSA-N 1 2 282.300 -1.021 20 0 CAADLO NC(=O)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC(=O)N1 ZINC001024364186 656051808 /nfs/dbraw/zinc/05/18/08/656051808.db2.gz NZENDFCOLCEXAT-NXEZZACHSA-N 1 2 282.344 -1.279 20 0 CAADLO NC(=O)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC(=O)N1 ZINC001024364186 656051810 /nfs/dbraw/zinc/05/18/10/656051810.db2.gz NZENDFCOLCEXAT-NXEZZACHSA-N 1 2 282.344 -1.279 20 0 CAADLO Cn1nncc1C(=O)NC[C@H]1CCCC[N@@H+]1CC(N)=O ZINC001024418823 656052035 /nfs/dbraw/zinc/05/20/35/656052035.db2.gz PEAJTCUYRTUBOQ-SECBINFHSA-N 1 2 280.332 -1.115 20 0 CAADLO Cn1nncc1C(=O)NC[C@H]1CCCC[N@H+]1CC(N)=O ZINC001024418823 656052038 /nfs/dbraw/zinc/05/20/38/656052038.db2.gz PEAJTCUYRTUBOQ-SECBINFHSA-N 1 2 280.332 -1.115 20 0 CAADLO CC(=O)N1CC(C(=O)NC[C@H]2CCCC[N@@H+]2CC(N)=O)C1 ZINC001024411079 656052049 /nfs/dbraw/zinc/05/20/49/656052049.db2.gz NCEKJGRFZBXGFW-GFCCVEGCSA-N 1 2 296.371 -1.079 20 0 CAADLO CC(=O)N1CC(C(=O)NC[C@H]2CCCC[N@H+]2CC(N)=O)C1 ZINC001024411079 656052051 /nfs/dbraw/zinc/05/20/51/656052051.db2.gz NCEKJGRFZBXGFW-GFCCVEGCSA-N 1 2 296.371 -1.079 20 0 CAADLO NC(=O)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCNC1=O ZINC001024493367 656052058 /nfs/dbraw/zinc/05/20/58/656052058.db2.gz WPKRJWXZABBQRI-GHMZBOCLSA-N 1 2 296.371 -1.031 20 0 CAADLO NC(=O)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCNC1=O ZINC001024493367 656052059 /nfs/dbraw/zinc/05/20/59/656052059.db2.gz WPKRJWXZABBQRI-GHMZBOCLSA-N 1 2 296.371 -1.031 20 0 CAADLO NC(=O)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCNC(=O)C1 ZINC001024391092 656052109 /nfs/dbraw/zinc/05/21/09/656052109.db2.gz OKHGDHPNLRTKMC-WDEREUQCSA-N 1 2 296.371 -1.031 20 0 CAADLO NC(=O)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCNC(=O)C1 ZINC001024391092 656052111 /nfs/dbraw/zinc/05/21/11/656052111.db2.gz OKHGDHPNLRTKMC-WDEREUQCSA-N 1 2 296.371 -1.031 20 0 CAADLO CO[C@@H](C)C(=O)N1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001024411685 656052134 /nfs/dbraw/zinc/05/21/34/656052134.db2.gz RRNLDGPMTPCVPE-HBNTYKKESA-N 1 2 296.327 -1.394 20 0 CAADLO NC(=O)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1COC(=O)N1 ZINC001024423085 656052250 /nfs/dbraw/zinc/05/22/50/656052250.db2.gz YABXUXGZJGSADI-RKDXNWHRSA-N 1 2 284.316 -1.449 20 0 CAADLO NC(=O)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1COC(=O)N1 ZINC001024423085 656052254 /nfs/dbraw/zinc/05/22/54/656052254.db2.gz YABXUXGZJGSADI-RKDXNWHRSA-N 1 2 284.316 -1.449 20 0 CAADLO Cn1cc(C(=O)NC[C@H]2CCCC[N@@H+]2CC(N)=O)nn1 ZINC001024421056 656052307 /nfs/dbraw/zinc/05/23/07/656052307.db2.gz YNXQVYLYLYJLBS-SECBINFHSA-N 1 2 280.332 -1.115 20 0 CAADLO Cn1cc(C(=O)NC[C@H]2CCCC[N@H+]2CC(N)=O)nn1 ZINC001024421056 656052308 /nfs/dbraw/zinc/05/23/08/656052308.db2.gz YNXQVYLYLYJLBS-SECBINFHSA-N 1 2 280.332 -1.115 20 0 CAADLO CC(=O)N1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001024413551 656052402 /nfs/dbraw/zinc/05/24/02/656052402.db2.gz PSDSRIZXSDNGNG-NXEZZACHSA-N 1 2 252.274 -1.409 20 0 CAADLO NC(=O)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1COC(=O)N1 ZINC001024423084 656052429 /nfs/dbraw/zinc/05/24/29/656052429.db2.gz YABXUXGZJGSADI-IUCAKERBSA-N 1 2 284.316 -1.449 20 0 CAADLO NC(=O)C[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1COC(=O)N1 ZINC001024423084 656052431 /nfs/dbraw/zinc/05/24/31/656052431.db2.gz YABXUXGZJGSADI-IUCAKERBSA-N 1 2 284.316 -1.449 20 0 CAADLO CN1C[C@H](C(=O)NC[C@@H]2CCCC[N@@H+]2CC(N)=O)CC1=O ZINC001024467445 656052459 /nfs/dbraw/zinc/05/24/59/656052459.db2.gz DUIIJLZZIOXFFW-MNOVXSKESA-N 1 2 296.371 -1.079 20 0 CAADLO CN1C[C@H](C(=O)NC[C@@H]2CCCC[N@H+]2CC(N)=O)CC1=O ZINC001024467445 656052463 /nfs/dbraw/zinc/05/24/63/656052463.db2.gz DUIIJLZZIOXFFW-MNOVXSKESA-N 1 2 296.371 -1.079 20 0 CAADLO NC(=O)CC(=O)N1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001024411467 656052534 /nfs/dbraw/zinc/05/25/34/656052534.db2.gz MYWHPYDBNDRLTA-RKDXNWHRSA-N 1 2 295.299 -2.554 20 0 CAADLO NC(=O)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCC(=O)NC1 ZINC001024520529 656053007 /nfs/dbraw/zinc/05/30/07/656053007.db2.gz KSXASTGLLGNWPB-QWRGUYRKSA-N 1 2 296.371 -1.031 20 0 CAADLO NC(=O)C[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCC(=O)NC1 ZINC001024520529 656053009 /nfs/dbraw/zinc/05/30/09/656053009.db2.gz KSXASTGLLGNWPB-QWRGUYRKSA-N 1 2 296.371 -1.031 20 0 CAADLO CN1C[C@H](C(=O)NC[C@@H]2CCCC[N@@H+]2CC(N)=O)NC1=O ZINC001024595085 656053529 /nfs/dbraw/zinc/05/35/29/656053529.db2.gz FMNZPMGSLVKSSZ-VHSXEESVSA-N 1 2 297.359 -1.534 20 0 CAADLO CN1C[C@H](C(=O)NC[C@@H]2CCCC[N@H+]2CC(N)=O)NC1=O ZINC001024595085 656053531 /nfs/dbraw/zinc/05/35/31/656053531.db2.gz FMNZPMGSLVKSSZ-VHSXEESVSA-N 1 2 297.359 -1.534 20 0 CAADLO CN1C[C@@H](C(=O)NC[C@H]2CCCC[N@@H+]2CC(N)=O)NC1=O ZINC001024595086 656053700 /nfs/dbraw/zinc/05/37/00/656053700.db2.gz FMNZPMGSLVKSSZ-ZJUUUORDSA-N 1 2 297.359 -1.534 20 0 CAADLO CN1C[C@@H](C(=O)NC[C@H]2CCCC[N@H+]2CC(N)=O)NC1=O ZINC001024595086 656053701 /nfs/dbraw/zinc/05/37/01/656053701.db2.gz FMNZPMGSLVKSSZ-ZJUUUORDSA-N 1 2 297.359 -1.534 20 0 CAADLO NC(=O)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCNC1=O ZINC001024596319 656053756 /nfs/dbraw/zinc/05/37/56/656053756.db2.gz POJIXSNJINMBOH-VHSXEESVSA-N 1 2 282.344 -1.422 20 0 CAADLO NC(=O)C[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCNC1=O ZINC001024596319 656053759 /nfs/dbraw/zinc/05/37/59/656053759.db2.gz POJIXSNJINMBOH-VHSXEESVSA-N 1 2 282.344 -1.422 20 0 CAADLO NC(=O)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCNC1=O ZINC001024596317 656053947 /nfs/dbraw/zinc/05/39/47/656053947.db2.gz POJIXSNJINMBOH-NXEZZACHSA-N 1 2 282.344 -1.422 20 0 CAADLO NC(=O)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCNC1=O ZINC001024596317 656053950 /nfs/dbraw/zinc/05/39/50/656053950.db2.gz POJIXSNJINMBOH-NXEZZACHSA-N 1 2 282.344 -1.422 20 0 CAADLO NC(=O)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CNC(=O)N1 ZINC001024626425 656054072 /nfs/dbraw/zinc/05/40/72/656054072.db2.gz DKHQWCNZTKFISY-RKDXNWHRSA-N 1 2 283.332 -1.876 20 0 CAADLO NC(=O)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CNC(=O)N1 ZINC001024626425 656054074 /nfs/dbraw/zinc/05/40/74/656054074.db2.gz DKHQWCNZTKFISY-RKDXNWHRSA-N 1 2 283.332 -1.876 20 0 CAADLO NC(=O)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CNC(=O)N1 ZINC001024626422 656054150 /nfs/dbraw/zinc/05/41/50/656054150.db2.gz DKHQWCNZTKFISY-BDAKNGLRSA-N 1 2 283.332 -1.876 20 0 CAADLO NC(=O)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CNC(=O)N1 ZINC001024626422 656054151 /nfs/dbraw/zinc/05/41/51/656054151.db2.gz DKHQWCNZTKFISY-BDAKNGLRSA-N 1 2 283.332 -1.876 20 0 CAADLO NC(=O)COC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000923779598 656054216 /nfs/dbraw/zinc/05/42/16/656054216.db2.gz BLJHWNLNCVZFRZ-ZJUUUORDSA-N 1 2 272.301 -1.105 20 0 CAADLO NC(=O)C[N@@H+]1CCCC[C@H]1CNC(=O)c1c[nH]c(=O)cn1 ZINC001024623880 656054303 /nfs/dbraw/zinc/05/43/03/656054303.db2.gz JIEPWISRNXMBPA-VIFPVBQESA-N 1 2 293.327 -1.161 20 0 CAADLO NC(=O)C[N@H+]1CCCC[C@H]1CNC(=O)c1c[nH]c(=O)cn1 ZINC001024623880 656054304 /nfs/dbraw/zinc/05/43/04/656054304.db2.gz JIEPWISRNXMBPA-VIFPVBQESA-N 1 2 293.327 -1.161 20 0 CAADLO NC(=O)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CNC(=O)N1 ZINC001024626423 656054310 /nfs/dbraw/zinc/05/43/10/656054310.db2.gz DKHQWCNZTKFISY-DTWKUNHWSA-N 1 2 283.332 -1.876 20 0 CAADLO NC(=O)C[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CNC(=O)N1 ZINC001024626423 656054313 /nfs/dbraw/zinc/05/43/13/656054313.db2.gz DKHQWCNZTKFISY-DTWKUNHWSA-N 1 2 283.332 -1.876 20 0 CAADLO NC(=O)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001024656022 656054495 /nfs/dbraw/zinc/05/44/95/656054495.db2.gz GGNFIMVXPUMDFW-AEJSXWLSSA-N 1 2 282.344 -1.436 20 0 CAADLO NC(=O)C[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001024656022 656054496 /nfs/dbraw/zinc/05/44/96/656054496.db2.gz GGNFIMVXPUMDFW-AEJSXWLSSA-N 1 2 282.344 -1.436 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCC(=O)N2)C1 ZINC001006918999 656055554 /nfs/dbraw/zinc/05/55/54/656055554.db2.gz GUSYQDDPUSEDKJ-RKDXNWHRSA-N 1 2 268.317 -1.669 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCC(=O)N2)C1 ZINC001006918999 656055556 /nfs/dbraw/zinc/05/55/56/656055556.db2.gz GUSYQDDPUSEDKJ-RKDXNWHRSA-N 1 2 268.317 -1.669 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCC(=O)N2)C1 ZINC001006918997 656055600 /nfs/dbraw/zinc/05/56/00/656055600.db2.gz GUSYQDDPUSEDKJ-DTWKUNHWSA-N 1 2 268.317 -1.669 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@H](NC(=O)[C@H]2CCC(=O)N2)C1 ZINC001006918997 656055601 /nfs/dbraw/zinc/05/56/01/656055601.db2.gz GUSYQDDPUSEDKJ-DTWKUNHWSA-N 1 2 268.317 -1.669 20 0 CAADLO CC(=O)N1C[C@@H](O)[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001024958726 656055831 /nfs/dbraw/zinc/05/58/31/656055831.db2.gz VNVYQSBSIOGZOL-GHMZBOCLSA-N 1 2 266.301 -1.032 20 0 CAADLO C[C@H]1CC(=O)N[C@@H](C(=O)N[C@H]2CCC[N@H+](CC(N)=O)C2)C1 ZINC001007356015 656057986 /nfs/dbraw/zinc/05/79/86/656057986.db2.gz CEYNCRDIMAHAJF-OUAUKWLOSA-N 1 2 296.371 -1.033 20 0 CAADLO C[C@H]1CC(=O)N[C@@H](C(=O)N[C@H]2CCC[N@@H+](CC(N)=O)C2)C1 ZINC001007356015 656057988 /nfs/dbraw/zinc/05/79/88/656057988.db2.gz CEYNCRDIMAHAJF-OUAUKWLOSA-N 1 2 296.371 -1.033 20 0 CAADLO CCN1C[C@@H](C(=O)N[C@H]2CCC[N@H+](CC(N)=O)C2)CC1=O ZINC001007458606 656058773 /nfs/dbraw/zinc/05/87/73/656058773.db2.gz CTYRZWXACOWHFF-QWRGUYRKSA-N 1 2 296.371 -1.079 20 0 CAADLO CCN1C[C@@H](C(=O)N[C@H]2CCC[N@@H+](CC(N)=O)C2)CC1=O ZINC001007458606 656058774 /nfs/dbraw/zinc/05/87/74/656058774.db2.gz CTYRZWXACOWHFF-QWRGUYRKSA-N 1 2 296.371 -1.079 20 0 CAADLO CO[C@H](C)C(=O)N1C[C@@H](O)[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001025301283 656060054 /nfs/dbraw/zinc/06/00/54/656060054.db2.gz YVCXJJRDFXWHHZ-OPRDCNLKSA-N 1 2 296.327 -1.325 20 0 CAADLO Cc1nnc(C[NH2+][C@H]2CCN(C(=O)CC(N)=O)C2)o1 ZINC001018645713 656060636 /nfs/dbraw/zinc/06/06/36/656060636.db2.gz DBERMJNUHQDJGN-QMMMGPOBSA-N 1 2 267.289 -1.056 20 0 CAADLO NC(=O)C(=O)N[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1O ZINC001025381283 656062723 /nfs/dbraw/zinc/06/27/23/656062723.db2.gz IGPHVQHAHCDZIF-RNFRBKRXSA-N 1 2 281.272 -2.875 20 0 CAADLO NC(=O)C(=O)N[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1O ZINC001025386362 656063744 /nfs/dbraw/zinc/06/37/44/656063744.db2.gz XAIXXIUQSGLDAJ-RKDXNWHRSA-N 1 2 295.299 -2.554 20 0 CAADLO O=C(Cn1ncnn1)N1CC[C@H]([NH2+]Cc2nncs2)C1 ZINC001018851310 656064180 /nfs/dbraw/zinc/06/41/80/656064180.db2.gz PYYUOBUNDBCOPW-QMMMGPOBSA-N 1 2 294.344 -1.085 20 0 CAADLO CO[C@@H](C)C(=O)N1C[C@@H](O)[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001025803491 656068322 /nfs/dbraw/zinc/06/83/22/656068322.db2.gz AKXZLZICEMABQY-JMJZKYOTSA-N 1 2 296.327 -1.325 20 0 CAADLO Cn1nnc(C[NH2+][C@H]2C[C@H](NC(=O)Cn3cnnn3)C2)n1 ZINC001019975879 656069124 /nfs/dbraw/zinc/06/91/24/656069124.db2.gz MTMIVBHYCXLNHF-ZKCHVHJHSA-N 1 2 292.307 -2.366 20 0 CAADLO Cn1nnc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3COCCO3)C2)n1 ZINC001019996515 656069147 /nfs/dbraw/zinc/06/91/47/656069147.db2.gz HGJHVJQLSILKTH-GUBZILKMSA-N 1 2 296.331 -1.638 20 0 CAADLO Cn1nnc(C[NH2+][C@H]2C[C@H](NC(=O)c3ccnn3C)C2)n1 ZINC001020019326 656069281 /nfs/dbraw/zinc/06/92/81/656069281.db2.gz AFUVQYLBWZTETH-KYZUINATSA-N 1 2 290.331 -1.006 20 0 CAADLO Cn1nnc(C[NH2+][C@H]2C[C@H](NC(=O)c3ccn[nH]3)C2)n1 ZINC001019999647 656069363 /nfs/dbraw/zinc/06/93/63/656069363.db2.gz YIQMCDMGPGHTFP-ZKCHVHJHSA-N 1 2 276.304 -1.016 20 0 CAADLO CC(C)C[C@H](O)CNC(=O)CN1CC[NH2+]CC1=O ZINC000236658208 656069610 /nfs/dbraw/zinc/06/96/10/656069610.db2.gz NBUCPHMLONPYIU-JTQLQIEISA-N 1 2 257.334 -1.059 20 0 CAADLO CN1CC[C@H](C(=O)N[C@H]2CCC[N@@H+](CC(N)=O)C2)C1=O ZINC001008245239 656074645 /nfs/dbraw/zinc/07/46/45/656074645.db2.gz CHXBOSDZZAEUAS-VHSXEESVSA-N 1 2 282.344 -1.469 20 0 CAADLO CN1CC[C@H](C(=O)N[C@H]2CCC[N@H+](CC(N)=O)C2)C1=O ZINC001008245239 656074644 /nfs/dbraw/zinc/07/46/44/656074644.db2.gz CHXBOSDZZAEUAS-VHSXEESVSA-N 1 2 282.344 -1.469 20 0 CAADLO NS(=O)(=O)C1CN(CC[N@H+]2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000930731888 656074654 /nfs/dbraw/zinc/07/46/54/656074654.db2.gz PKRXHYSZYKOZRL-AOOOYVTPSA-N 1 2 275.374 -1.178 20 0 CAADLO NS(=O)(=O)C1CN(CC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000930731888 656074657 /nfs/dbraw/zinc/07/46/57/656074657.db2.gz PKRXHYSZYKOZRL-AOOOYVTPSA-N 1 2 275.374 -1.178 20 0 CAADLO NC(=O)C[NH2+][C@@H]1CC[C@H]2CN(C(=O)Cc3ncn[nH]3)C[C@H]21 ZINC001026399367 656074853 /nfs/dbraw/zinc/07/48/53/656074853.db2.gz ULGXKLBDRDCCTA-IVZWLZJFSA-N 1 2 292.343 -1.341 20 0 CAADLO CN(C)C(=O)C[N@H+]1CCC[C@@H](NC(=O)C(N)=O)C1 ZINC001008369533 656075825 /nfs/dbraw/zinc/07/58/25/656075825.db2.gz GHXZUWIEFXGIMA-MRVPVSSYSA-N 1 2 256.306 -1.860 20 0 CAADLO CN(C)C(=O)C[N@@H+]1CCC[C@@H](NC(=O)C(N)=O)C1 ZINC001008369533 656075823 /nfs/dbraw/zinc/07/58/23/656075823.db2.gz GHXZUWIEFXGIMA-MRVPVSSYSA-N 1 2 256.306 -1.860 20 0 CAADLO NC(=O)C(=O)N[C@H]1CCC[N@@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001008371704 656075850 /nfs/dbraw/zinc/07/58/50/656075850.db2.gz MDRRNNIPHMKOSO-JGVFFNPUSA-N 1 2 282.300 -2.143 20 0 CAADLO NC(=O)C(=O)N[C@H]1CCC[N@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001008371704 656075851 /nfs/dbraw/zinc/07/58/51/656075851.db2.gz MDRRNNIPHMKOSO-JGVFFNPUSA-N 1 2 282.300 -2.143 20 0 CAADLO NC(=O)C(=O)N[C@@H]1CCC[N@@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001008371717 656075886 /nfs/dbraw/zinc/07/58/86/656075886.db2.gz MDRRNNIPHMKOSO-SFYZADRCSA-N 1 2 282.300 -2.143 20 0 CAADLO NC(=O)C(=O)N[C@@H]1CCC[N@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001008371717 656075887 /nfs/dbraw/zinc/07/58/87/656075887.db2.gz MDRRNNIPHMKOSO-SFYZADRCSA-N 1 2 282.300 -2.143 20 0 CAADLO C[C@H](C(=O)N(C)C)[N@@H+]1CCC[C@H](NC(=O)C(N)=O)C1 ZINC001008373332 656076106 /nfs/dbraw/zinc/07/61/06/656076106.db2.gz QWHVRQYDKUIKCT-BDAKNGLRSA-N 1 2 270.333 -1.471 20 0 CAADLO C[C@H](C(=O)N(C)C)[N@H+]1CCC[C@H](NC(=O)C(N)=O)C1 ZINC001008373332 656076107 /nfs/dbraw/zinc/07/61/07/656076107.db2.gz QWHVRQYDKUIKCT-BDAKNGLRSA-N 1 2 270.333 -1.471 20 0 CAADLO C[C@@H](C(=O)N(C)C)[N@@H+]1CCC[C@H](NC(=O)C(N)=O)C1 ZINC001008373338 656076112 /nfs/dbraw/zinc/07/61/12/656076112.db2.gz QWHVRQYDKUIKCT-IUCAKERBSA-N 1 2 270.333 -1.471 20 0 CAADLO C[C@@H](C(=O)N(C)C)[N@H+]1CCC[C@H](NC(=O)C(N)=O)C1 ZINC001008373338 656076115 /nfs/dbraw/zinc/07/61/15/656076115.db2.gz QWHVRQYDKUIKCT-IUCAKERBSA-N 1 2 270.333 -1.471 20 0 CAADLO CC1(C)CN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1NC(=O)C(N)=O ZINC001008530837 656077983 /nfs/dbraw/zinc/07/79/83/656077983.db2.gz GCROYLNVEUQNQL-QMMMGPOBSA-N 1 2 293.327 -1.209 20 0 CAADLO Cn1ncc(C(=O)N[C@H]2C[N@H+](CC(N)=O)CC2(C)C)c1N ZINC000974480581 656078233 /nfs/dbraw/zinc/07/82/33/656078233.db2.gz RJGGWIVVRIMFAI-VIFPVBQESA-N 1 2 294.359 -1.072 20 0 CAADLO Cn1ncc(C(=O)N[C@H]2C[N@@H+](CC(N)=O)CC2(C)C)c1N ZINC000974480581 656078234 /nfs/dbraw/zinc/07/82/34/656078234.db2.gz RJGGWIVVRIMFAI-VIFPVBQESA-N 1 2 294.359 -1.072 20 0 CAADLO Cn1nncc1C(=O)N[C@@H]1C[N@H+](CC(N)=O)CC1(C)C ZINC000974535261 656078276 /nfs/dbraw/zinc/07/82/76/656078276.db2.gz CWCYWSFFSXVSMW-SECBINFHSA-N 1 2 280.332 -1.259 20 0 CAADLO Cn1nncc1C(=O)N[C@@H]1C[N@@H+](CC(N)=O)CC1(C)C ZINC000974535261 656078279 /nfs/dbraw/zinc/07/82/79/656078279.db2.gz CWCYWSFFSXVSMW-SECBINFHSA-N 1 2 280.332 -1.259 20 0 CAADLO Cn1oc(C(=O)N[C@@H]2C[N@H+](CC(N)=O)CC2(C)C)cc1=O ZINC000974500134 656078344 /nfs/dbraw/zinc/07/83/44/656078344.db2.gz QXLFXZIMFUEOME-SECBINFHSA-N 1 2 296.327 -1.096 20 0 CAADLO Cn1oc(C(=O)N[C@@H]2C[N@@H+](CC(N)=O)CC2(C)C)cc1=O ZINC000974500134 656078348 /nfs/dbraw/zinc/07/83/48/656078348.db2.gz QXLFXZIMFUEOME-SECBINFHSA-N 1 2 296.327 -1.096 20 0 CAADLO NC(=O)C(=O)N1C[C@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]21 ZINC000974970588 656079655 /nfs/dbraw/zinc/07/96/55/656079655.db2.gz VUBOCJDKWHBMRS-PSASIEDQSA-N 1 2 291.311 -1.503 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@H](NC(=O)C[C@H]2CCC(=O)N2)C1 ZINC001008842897 656080079 /nfs/dbraw/zinc/08/00/79/656080079.db2.gz AKOXNCCNSFOJGI-ZJUUUORDSA-N 1 2 282.344 -1.279 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@H](NC(=O)C[C@H]2CCC(=O)N2)C1 ZINC001008842897 656080081 /nfs/dbraw/zinc/08/00/81/656080081.db2.gz AKOXNCCNSFOJGI-ZJUUUORDSA-N 1 2 282.344 -1.279 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1C[C@H](NC(=O)C(N)=O)C(C)(C)C1 ZINC000974990352 656080092 /nfs/dbraw/zinc/08/00/92/656080092.db2.gz AGPRSNVTJVOVDE-RQJHMYQMSA-N 1 2 256.306 -1.828 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1C[C@H](NC(=O)C(N)=O)C(C)(C)C1 ZINC000974990352 656080095 /nfs/dbraw/zinc/08/00/95/656080095.db2.gz AGPRSNVTJVOVDE-RQJHMYQMSA-N 1 2 256.306 -1.828 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@@H](NC(=O)C[C@@H]2CCC(=O)N2)C1 ZINC001008842896 656080409 /nfs/dbraw/zinc/08/04/09/656080409.db2.gz AKOXNCCNSFOJGI-VHSXEESVSA-N 1 2 282.344 -1.279 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@@H](NC(=O)C[C@@H]2CCC(=O)N2)C1 ZINC001008842896 656080410 /nfs/dbraw/zinc/08/04/10/656080410.db2.gz AKOXNCCNSFOJGI-VHSXEESVSA-N 1 2 282.344 -1.279 20 0 CAADLO O=C(Cc1ncn[nH]1)N1CC[C@@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001027162966 656081068 /nfs/dbraw/zinc/08/10/68/656081068.db2.gz WXXVTBDYDCOMAN-UWVGGRQHSA-N 1 2 292.343 -1.326 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@H](NC(=O)Cn2cnnn2)C1 ZINC001006685225 656081200 /nfs/dbraw/zinc/08/12/00/656081200.db2.gz ONMFPLRZYXGHPR-QMMMGPOBSA-N 1 2 267.293 -2.261 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@H](NC(=O)Cn2cnnn2)C1 ZINC001006685225 656081201 /nfs/dbraw/zinc/08/12/01/656081201.db2.gz ONMFPLRZYXGHPR-QMMMGPOBSA-N 1 2 267.293 -2.261 20 0 CAADLO O=C(Cc1nc[nH]n1)N[C@H]1CCC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001009131338 656081295 /nfs/dbraw/zinc/08/12/95/656081295.db2.gz LIHIGJDIBCXDKU-UWVGGRQHSA-N 1 2 292.343 -1.184 20 0 CAADLO O=C(Cc1nc[nH]n1)N[C@H]1CCC[N@H+]([C@H]2CCNC2=O)C1 ZINC001009131338 656081299 /nfs/dbraw/zinc/08/12/99/656081299.db2.gz LIHIGJDIBCXDKU-UWVGGRQHSA-N 1 2 292.343 -1.184 20 0 CAADLO CNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)Cn2cnnn2)C1 ZINC001006686291 656081429 /nfs/dbraw/zinc/08/14/29/656081429.db2.gz SRBLYJDTHJICOK-SECBINFHSA-N 1 2 281.320 -2.000 20 0 CAADLO CNC(=O)C[N@H+]1CCC[C@@H](NC(=O)Cn2cnnn2)C1 ZINC001006686291 656081430 /nfs/dbraw/zinc/08/14/30/656081430.db2.gz SRBLYJDTHJICOK-SECBINFHSA-N 1 2 281.320 -2.000 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CCC[C@H](NC(=O)Cn2cnnn2)C1 ZINC001006686253 656081458 /nfs/dbraw/zinc/08/14/58/656081458.db2.gz SMQLMCIHSUHRKD-BDAKNGLRSA-N 1 2 281.320 -1.873 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CCC[C@H](NC(=O)Cn2cnnn2)C1 ZINC001006686253 656081459 /nfs/dbraw/zinc/08/14/59/656081459.db2.gz SMQLMCIHSUHRKD-BDAKNGLRSA-N 1 2 281.320 -1.873 20 0 CAADLO CC(=O)N1CC[C@H](C(=O)N[C@H]2CCC[N@H+](CC(N)=O)C2)C1 ZINC001009363159 656082056 /nfs/dbraw/zinc/08/20/56/656082056.db2.gz QCHMYMKDAZBZTM-RYUDHWBXSA-N 1 2 296.371 -1.079 20 0 CAADLO CC(=O)N1CC[C@H](C(=O)N[C@H]2CCC[N@@H+](CC(N)=O)C2)C1 ZINC001009363159 656082060 /nfs/dbraw/zinc/08/20/60/656082060.db2.gz QCHMYMKDAZBZTM-RYUDHWBXSA-N 1 2 296.371 -1.079 20 0 CAADLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1[C@H]2CN(C(=O)C(N)=O)C[C@H]21 ZINC000976928324 656084863 /nfs/dbraw/zinc/08/48/63/656084863.db2.gz SJHITFKSTGBSKC-VROVMSAKSA-N 1 2 291.311 -1.681 20 0 CAADLO NC(=O)C(=O)N[C@@H]1[C@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]21 ZINC000977083537 656086007 /nfs/dbraw/zinc/08/60/07/656086007.db2.gz OBFRXWQBNHXUGR-MTBHXBHISA-N 1 2 277.284 -1.990 20 0 CAADLO Cc1[nH+]c[nH]c1CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(N)=O ZINC000977084935 656086054 /nfs/dbraw/zinc/08/60/54/656086054.db2.gz XSNDOLGYBAGQNY-VROVMSAKSA-N 1 2 291.311 -1.681 20 0 CAADLO NC(=O)C(=O)N[C@@H]1[C@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]21 ZINC000977089433 656086640 /nfs/dbraw/zinc/08/66/40/656086640.db2.gz FOCDRYREUZKEEQ-MBTKJCJQSA-N 1 2 277.284 -2.059 20 0 CAADLO NC(=O)C(=O)N[C@@H]1[C@H]2CN(C(=O)CCc3c[nH]c[nH+]3)C[C@H]21 ZINC000977089086 656086748 /nfs/dbraw/zinc/08/67/48/656086748.db2.gz COXLMFQLLZMNRQ-JZYVYDRUSA-N 1 2 291.311 -1.599 20 0 CAADLO NC(=O)C(=O)N[C@@H]1[C@H]2CN(C(=O)CCc3c[nH+]c[nH]3)C[C@H]21 ZINC000977089086 656086751 /nfs/dbraw/zinc/08/67/51/656086751.db2.gz COXLMFQLLZMNRQ-JZYVYDRUSA-N 1 2 291.311 -1.599 20 0 CAADLO Cn1nncc1C[N@H+](C)[C@@H]1CCCN(C(=O)C(N)=O)C1 ZINC001027553169 656089488 /nfs/dbraw/zinc/08/94/88/656089488.db2.gz QBSCODHVOUSVAY-SECBINFHSA-N 1 2 280.332 -1.277 20 0 CAADLO Cn1nncc1C[N@@H+](C)[C@@H]1CCCN(C(=O)C(N)=O)C1 ZINC001027553169 656089490 /nfs/dbraw/zinc/08/94/90/656089490.db2.gz QBSCODHVOUSVAY-SECBINFHSA-N 1 2 280.332 -1.277 20 0 CAADLO CC(=O)N[C@@H]1CC[N@H+](CC(=O)N2CCNC(=O)C2)C1 ZINC001009789054 656090897 /nfs/dbraw/zinc/09/08/97/656090897.db2.gz WZJFUMPGCQQFOE-SNVBAGLBSA-N 1 2 268.317 -1.845 20 0 CAADLO CC(=O)N[C@@H]1CC[N@@H+](CC(=O)N2CCNC(=O)C2)C1 ZINC001009789054 656090902 /nfs/dbraw/zinc/09/09/02/656090902.db2.gz WZJFUMPGCQQFOE-SNVBAGLBSA-N 1 2 268.317 -1.845 20 0 CAADLO O=C(C[N@@H+]1CC[C@H](NC(=O)C2CC2)C1)N1CCNC(=O)C1 ZINC001009830222 656092204 /nfs/dbraw/zinc/09/22/04/656092204.db2.gz FOEAJGUKRQMWRL-NSHDSACASA-N 1 2 294.355 -1.455 20 0 CAADLO O=C(C[N@H+]1CC[C@H](NC(=O)C2CC2)C1)N1CCNC(=O)C1 ZINC001009830222 656092208 /nfs/dbraw/zinc/09/22/08/656092208.db2.gz FOEAJGUKRQMWRL-NSHDSACASA-N 1 2 294.355 -1.455 20 0 CAADLO C[C@H](O)[C@@H](O)C[NH+]1CCN([S@@](C)(=N)=O)CC1 ZINC000931610389 656093043 /nfs/dbraw/zinc/09/30/43/656093043.db2.gz OMVCAJABZHTPKP-OMQMVUIESA-N 1 2 251.352 -1.063 20 0 CAADLO CN1CC(C(=O)NC[C@@H]2[C@H]3C[N@@H+](CC(N)=O)C[C@H]32)=NC1=O ZINC000978676763 656093124 /nfs/dbraw/zinc/09/31/24/656093124.db2.gz KSTNTDYPVSTVSJ-PSVAKVPMSA-N 1 2 293.327 -1.481 20 0 CAADLO CN1CC(C(=O)NC[C@@H]2[C@H]3C[N@H+](CC(N)=O)C[C@H]32)=NC1=O ZINC000978676763 656093126 /nfs/dbraw/zinc/09/31/26/656093126.db2.gz KSTNTDYPVSTVSJ-PSVAKVPMSA-N 1 2 293.327 -1.481 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)c1cc[n+]([O-])cc1 ZINC001027742621 656094319 /nfs/dbraw/zinc/09/43/19/656094319.db2.gz UHNQRFAALVGNTN-NSHDSACASA-N 1 2 278.312 -1.001 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@H]1CNC(=O)c1cc[n+]([O-])cc1 ZINC001027742621 656094320 /nfs/dbraw/zinc/09/43/20/656094320.db2.gz UHNQRFAALVGNTN-NSHDSACASA-N 1 2 278.312 -1.001 20 0 CAADLO C[C@@H]([NH2+]Cc1cnsn1)[C@@H]1CN(C(=O)C(N)=O)CCO1 ZINC000979357769 656094938 /nfs/dbraw/zinc/09/49/38/656094938.db2.gz LHIBCNISIDGMFK-APPZFPTMSA-N 1 2 299.356 -1.271 20 0 CAADLO C[C@H]([NH2+]Cc1csnn1)[C@@H]1CN(C(=O)C(N)=O)CCO1 ZINC000979358922 656095031 /nfs/dbraw/zinc/09/50/31/656095031.db2.gz MYNDZQDQFBQNHQ-CBAPKCEASA-N 1 2 299.356 -1.271 20 0 CAADLO Cc1noc(C[NH2+][C@@H](C)[C@@H]2CN(C(=O)C(N)=O)CCO2)n1 ZINC000979355603 656095153 /nfs/dbraw/zinc/09/51/53/656095153.db2.gz GOFALRXNISYVKZ-CBAPKCEASA-N 1 2 297.315 -1.431 20 0 CAADLO Cn1ncc(C(=O)NC[C@H]2CCC[N@@H+]2CC(N)=O)c1N ZINC001027835923 656096334 /nfs/dbraw/zinc/09/63/34/656096334.db2.gz CLIMEEWGNZGEOB-MRVPVSSYSA-N 1 2 280.332 -1.318 20 0 CAADLO Cn1ncc(C(=O)NC[C@H]2CCC[N@H+]2CC(N)=O)c1N ZINC001027835923 656096338 /nfs/dbraw/zinc/09/63/38/656096338.db2.gz CLIMEEWGNZGEOB-MRVPVSSYSA-N 1 2 280.332 -1.318 20 0 CAADLO Cn1ncc(C(=O)NC[C@@H]2CCC[N@@H+]2CC(N)=O)c1N ZINC001027835924 656096500 /nfs/dbraw/zinc/09/65/00/656096500.db2.gz CLIMEEWGNZGEOB-QMMMGPOBSA-N 1 2 280.332 -1.318 20 0 CAADLO Cn1ncc(C(=O)NC[C@@H]2CCC[N@H+]2CC(N)=O)c1N ZINC001027835924 656096503 /nfs/dbraw/zinc/09/65/03/656096503.db2.gz CLIMEEWGNZGEOB-QMMMGPOBSA-N 1 2 280.332 -1.318 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CCC[C@@H]1CNC(=O)c1ncn(C)n1 ZINC001027865151 656096949 /nfs/dbraw/zinc/09/69/49/656096949.db2.gz LYYMDMUNLASCKJ-DTWKUNHWSA-N 1 2 280.332 -1.117 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CCC[C@@H]1CNC(=O)c1ncn(C)n1 ZINC001027865151 656096952 /nfs/dbraw/zinc/09/69/52/656096952.db2.gz LYYMDMUNLASCKJ-DTWKUNHWSA-N 1 2 280.332 -1.117 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CCC[C@H]1CNC(=O)c1ncn(C)n1 ZINC001027865152 656097190 /nfs/dbraw/zinc/09/71/90/656097190.db2.gz LYYMDMUNLASCKJ-IUCAKERBSA-N 1 2 280.332 -1.117 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CCC[C@H]1CNC(=O)c1ncn(C)n1 ZINC001027865152 656097192 /nfs/dbraw/zinc/09/71/92/656097192.db2.gz LYYMDMUNLASCKJ-IUCAKERBSA-N 1 2 280.332 -1.117 20 0 CAADLO Cn1cc(C(=O)NC[C@H]2CCC[N@@H+]2CC(N)=O)nn1 ZINC001027862367 656097263 /nfs/dbraw/zinc/09/72/63/656097263.db2.gz NGOPHDPEPNOJJO-MRVPVSSYSA-N 1 2 266.305 -1.505 20 0 CAADLO Cn1cc(C(=O)NC[C@H]2CCC[N@H+]2CC(N)=O)nn1 ZINC001027862367 656097265 /nfs/dbraw/zinc/09/72/65/656097265.db2.gz NGOPHDPEPNOJJO-MRVPVSSYSA-N 1 2 266.305 -1.505 20 0 CAADLO Cn1cc(C(=O)NC[C@@H]2CCC[N@@H+]2CC(N)=O)nn1 ZINC001027862368 656097347 /nfs/dbraw/zinc/09/73/47/656097347.db2.gz NGOPHDPEPNOJJO-QMMMGPOBSA-N 1 2 266.305 -1.505 20 0 CAADLO Cn1cc(C(=O)NC[C@@H]2CCC[N@H+]2CC(N)=O)nn1 ZINC001027862368 656097350 /nfs/dbraw/zinc/09/73/50/656097350.db2.gz NGOPHDPEPNOJJO-QMMMGPOBSA-N 1 2 266.305 -1.505 20 0 CAADLO CCn1ncc(C(=O)NC[C@@H]2CCC[N@@H+]2CC(N)=O)n1 ZINC001027869602 656097472 /nfs/dbraw/zinc/09/74/72/656097472.db2.gz JQKUIRPLDPZKKP-VIFPVBQESA-N 1 2 280.332 -1.023 20 0 CAADLO CCn1ncc(C(=O)NC[C@@H]2CCC[N@H+]2CC(N)=O)n1 ZINC001027869602 656097475 /nfs/dbraw/zinc/09/74/75/656097475.db2.gz JQKUIRPLDPZKKP-VIFPVBQESA-N 1 2 280.332 -1.023 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CCC[C@@H]1CNC(=O)c1ncn(C)n1 ZINC001027865153 656097493 /nfs/dbraw/zinc/09/74/93/656097493.db2.gz LYYMDMUNLASCKJ-RKDXNWHRSA-N 1 2 280.332 -1.117 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CCC[C@@H]1CNC(=O)c1ncn(C)n1 ZINC001027865153 656097495 /nfs/dbraw/zinc/09/74/95/656097495.db2.gz LYYMDMUNLASCKJ-RKDXNWHRSA-N 1 2 280.332 -1.117 20 0 CAADLO CNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cn(C)nn1 ZINC001027860991 656097604 /nfs/dbraw/zinc/09/76/04/656097604.db2.gz OUFNGEHHYBMXBN-SECBINFHSA-N 1 2 280.332 -1.245 20 0 CAADLO CNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)c1cn(C)nn1 ZINC001027860991 656097606 /nfs/dbraw/zinc/09/76/06/656097606.db2.gz OUFNGEHHYBMXBN-SECBINFHSA-N 1 2 280.332 -1.245 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)c1cc2n(n1)CCO2 ZINC001027934801 656098863 /nfs/dbraw/zinc/09/88/63/656098863.db2.gz YWWZKBKAPSOUKW-VIFPVBQESA-N 1 2 293.327 -1.045 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@H]1CNC(=O)c1cc2n(n1)CCO2 ZINC001027934801 656098864 /nfs/dbraw/zinc/09/88/64/656098864.db2.gz YWWZKBKAPSOUKW-VIFPVBQESA-N 1 2 293.327 -1.045 20 0 CAADLO C[C@@H]1OCCO[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CC(N)=O ZINC001027942546 656099612 /nfs/dbraw/zinc/09/96/12/656099612.db2.gz FHNZIVPWEKUJFO-NHCYSSNCSA-N 1 2 285.344 -1.144 20 0 CAADLO C[C@@H]1OCCO[C@@H]1C(=O)NC[C@@H]1CCC[N@H+]1CC(N)=O ZINC001027942546 656099616 /nfs/dbraw/zinc/09/96/16/656099616.db2.gz FHNZIVPWEKUJFO-NHCYSSNCSA-N 1 2 285.344 -1.144 20 0 CAADLO NC(=O)C[N@@H+]1CCCN(C(=O)CN2CCCC2=O)CC1 ZINC000980684801 656099755 /nfs/dbraw/zinc/09/97/55/656099755.db2.gz JPBNLZIACPCOMW-UHFFFAOYSA-N 1 2 282.344 -1.372 20 0 CAADLO NC(=O)C[N@H+]1CCCN(C(=O)CN2CCCC2=O)CC1 ZINC000980684801 656099758 /nfs/dbraw/zinc/09/97/58/656099758.db2.gz JPBNLZIACPCOMW-UHFFFAOYSA-N 1 2 282.344 -1.372 20 0 CAADLO NC(=O)C[N@@H+]1CCCN(C(=O)Cn2cnnn2)CC1 ZINC000980677555 656099880 /nfs/dbraw/zinc/09/98/80/656099880.db2.gz PYNYJJFYZUJFOJ-UHFFFAOYSA-N 1 2 267.293 -2.307 20 0 CAADLO NC(=O)C[N@H+]1CCCN(C(=O)Cn2cnnn2)CC1 ZINC000980677555 656099884 /nfs/dbraw/zinc/09/98/84/656099884.db2.gz PYNYJJFYZUJFOJ-UHFFFAOYSA-N 1 2 267.293 -2.307 20 0 CAADLO O=C([C@H]1COCCO1)N1CCC[N@@H+]([C@H]2CCNC2=O)CC1 ZINC000980739833 656100290 /nfs/dbraw/zinc/10/02/90/656100290.db2.gz DHXQMLZHFLZZEJ-NWDGAFQWSA-N 1 2 297.355 -1.175 20 0 CAADLO O=C([C@H]1COCCO1)N1CCC[N@H+]([C@H]2CCNC2=O)CC1 ZINC000980739833 656100292 /nfs/dbraw/zinc/10/02/92/656100292.db2.gz DHXQMLZHFLZZEJ-NWDGAFQWSA-N 1 2 297.355 -1.175 20 0 CAADLO O=C([C@H]1COCCO1)N1CCC[N@@H+]([C@@H]2CCNC2=O)CC1 ZINC000980739835 656100680 /nfs/dbraw/zinc/10/06/80/656100680.db2.gz DHXQMLZHFLZZEJ-VXGBXAGGSA-N 1 2 297.355 -1.175 20 0 CAADLO O=C([C@H]1COCCO1)N1CCC[N@H+]([C@@H]2CCNC2=O)CC1 ZINC000980739835 656100683 /nfs/dbraw/zinc/10/06/83/656100683.db2.gz DHXQMLZHFLZZEJ-VXGBXAGGSA-N 1 2 297.355 -1.175 20 0 CAADLO O=C(C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2COCCO2)C1)NC1CC1 ZINC001010251927 656101109 /nfs/dbraw/zinc/10/11/09/656101109.db2.gz HZFPUCVLFQYVRP-NEPJUHHUSA-N 1 2 297.355 -1.129 20 0 CAADLO O=C(C[N@H+]1CC[C@@H](NC(=O)[C@@H]2COCCO2)C1)NC1CC1 ZINC001010251927 656101112 /nfs/dbraw/zinc/10/11/12/656101112.db2.gz HZFPUCVLFQYVRP-NEPJUHHUSA-N 1 2 297.355 -1.129 20 0 CAADLO NC(=O)C[N@@H+]1CCCN(C(=O)[C@H]2CCC(=O)N2)CC1 ZINC000980840054 656101207 /nfs/dbraw/zinc/10/12/07/656101207.db2.gz QVTUWWHIXRZUPH-SECBINFHSA-N 1 2 268.317 -1.715 20 0 CAADLO NC(=O)C[N@H+]1CCCN(C(=O)[C@H]2CCC(=O)N2)CC1 ZINC000980840054 656101208 /nfs/dbraw/zinc/10/12/08/656101208.db2.gz QVTUWWHIXRZUPH-SECBINFHSA-N 1 2 268.317 -1.715 20 0 CAADLO C[C@@H](C(N)=O)N1CCCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000980892989 656101228 /nfs/dbraw/zinc/10/12/28/656101228.db2.gz CYWSDCWEQBUSHE-RYUDHWBXSA-N 1 2 298.387 -1.275 20 0 CAADLO C[C@@H](C(N)=O)N1CCCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000980892989 656101229 /nfs/dbraw/zinc/10/12/29/656101229.db2.gz CYWSDCWEQBUSHE-RYUDHWBXSA-N 1 2 298.387 -1.275 20 0 CAADLO NC(=O)C[N@@H+]1CCCN(C(=O)Cc2cc[nH]n2)CC1 ZINC000980885722 656101759 /nfs/dbraw/zinc/10/17/59/656101759.db2.gz ZURZLAFPRHVFKL-UHFFFAOYSA-N 1 2 265.317 -1.028 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CCCN(C(=O)[C@H]2COC(=O)N2)CC1 ZINC000981060417 656101689 /nfs/dbraw/zinc/10/16/89/656101689.db2.gz ZCMILZAJELEXDZ-RKDXNWHRSA-N 1 2 284.316 -1.497 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CCCN(C(=O)[C@H]2COC(=O)N2)CC1 ZINC000981060417 656101691 /nfs/dbraw/zinc/10/16/91/656101691.db2.gz ZCMILZAJELEXDZ-RKDXNWHRSA-N 1 2 284.316 -1.497 20 0 CAADLO CN1CCOC[C@@H]1C(=O)N1CCC[N@H+](CC(N)=O)CC1 ZINC000981013065 656101735 /nfs/dbraw/zinc/10/17/35/656101735.db2.gz HOWRHOKRVUPYLJ-LLVKDONJSA-N 1 2 284.360 -1.663 20 0 CAADLO CN1CCOC[C@@H]1C(=O)N1CCC[N@@H+](CC(N)=O)CC1 ZINC000981013065 656101736 /nfs/dbraw/zinc/10/17/36/656101736.db2.gz HOWRHOKRVUPYLJ-LLVKDONJSA-N 1 2 284.360 -1.663 20 0 CAADLO NC(=O)C[N@H+]1CCCN(C(=O)Cc2cc[nH]n2)CC1 ZINC000980885722 656101763 /nfs/dbraw/zinc/10/17/63/656101763.db2.gz ZURZLAFPRHVFKL-UHFFFAOYSA-N 1 2 265.317 -1.028 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CCCN(C(=O)[C@H]2COC(=O)N2)CC1 ZINC000981060413 656101894 /nfs/dbraw/zinc/10/18/94/656101894.db2.gz ZCMILZAJELEXDZ-DTWKUNHWSA-N 1 2 284.316 -1.497 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CCCN(C(=O)[C@H]2COC(=O)N2)CC1 ZINC000981060413 656101897 /nfs/dbraw/zinc/10/18/97/656101897.db2.gz ZCMILZAJELEXDZ-DTWKUNHWSA-N 1 2 284.316 -1.497 20 0 CAADLO Cn1nccc1CC(=O)N1CCC[N@H+](CC(N)=O)CC1 ZINC000981060784 656101923 /nfs/dbraw/zinc/10/19/23/656101923.db2.gz JMJIXHOYOGSJHW-UHFFFAOYSA-N 1 2 279.344 -1.018 20 0 CAADLO Cn1nccc1CC(=O)N1CCC[N@@H+](CC(N)=O)CC1 ZINC000981060784 656101928 /nfs/dbraw/zinc/10/19/28/656101928.db2.gz JMJIXHOYOGSJHW-UHFFFAOYSA-N 1 2 279.344 -1.018 20 0 CAADLO O=C(C[N@@H+]1CC[C@@H](NC(=O)[C@H]2COCCO2)C1)N1CCC1 ZINC001010255971 656101963 /nfs/dbraw/zinc/10/19/63/656101963.db2.gz OTEPPWPTMJBVAG-VXGBXAGGSA-N 1 2 297.355 -1.175 20 0 CAADLO O=C(C[N@H+]1CC[C@@H](NC(=O)[C@H]2COCCO2)C1)N1CCC1 ZINC001010255971 656101966 /nfs/dbraw/zinc/10/19/66/656101966.db2.gz OTEPPWPTMJBVAG-VXGBXAGGSA-N 1 2 297.355 -1.175 20 0 CAADLO C[C@H](C(=O)N1CCC[N@H+](CC(N)=O)CC1)n1cncn1 ZINC000981009742 656102025 /nfs/dbraw/zinc/10/20/25/656102025.db2.gz IKYBSNVDHCQAFD-SNVBAGLBSA-N 1 2 280.332 -1.141 20 0 CAADLO C[C@H](C(=O)N1CCC[N@@H+](CC(N)=O)CC1)n1cncn1 ZINC000981009742 656102026 /nfs/dbraw/zinc/10/20/26/656102026.db2.gz IKYBSNVDHCQAFD-SNVBAGLBSA-N 1 2 280.332 -1.141 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CCCN(C(=O)[C@@H]2CCNC(=O)C2)CC1 ZINC000980962786 656102154 /nfs/dbraw/zinc/10/21/54/656102154.db2.gz MTZNLAJDGAJIDP-WDEREUQCSA-N 1 2 296.371 -1.079 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CCCN(C(=O)[C@@H]2CCNC(=O)C2)CC1 ZINC000980962786 656102159 /nfs/dbraw/zinc/10/21/59/656102159.db2.gz MTZNLAJDGAJIDP-WDEREUQCSA-N 1 2 296.371 -1.079 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CCCN(C(=O)CN2CN=NC2=O)CC1 ZINC000981005851 656102187 /nfs/dbraw/zinc/10/21/87/656102187.db2.gz XGRZREKKSJCSIX-VIFPVBQESA-N 1 2 296.331 -1.608 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CCCN(C(=O)CN2CN=NC2=O)CC1 ZINC000981005851 656102191 /nfs/dbraw/zinc/10/21/91/656102191.db2.gz XGRZREKKSJCSIX-VIFPVBQESA-N 1 2 296.331 -1.608 20 0 CAADLO Cn1oc(C(=O)N2CCC[N@H+](CC(N)=O)CC2)cc1=O ZINC000981050717 656102440 /nfs/dbraw/zinc/10/24/40/656102440.db2.gz VOQUDENQCFSZST-UHFFFAOYSA-N 1 2 282.300 -1.389 20 0 CAADLO Cn1oc(C(=O)N2CCC[N@@H+](CC(N)=O)CC2)cc1=O ZINC000981050717 656102442 /nfs/dbraw/zinc/10/24/42/656102442.db2.gz VOQUDENQCFSZST-UHFFFAOYSA-N 1 2 282.300 -1.389 20 0 CAADLO Cn1nncc1C(=O)N1CCC[N@@H+]([C@H]2CCNC2=O)CC1 ZINC000981071914 656102459 /nfs/dbraw/zinc/10/24/59/656102459.db2.gz WSKXYEVATHSPDO-JTQLQIEISA-N 1 2 292.343 -1.149 20 0 CAADLO Cn1nncc1C(=O)N1CCC[N@H+]([C@H]2CCNC2=O)CC1 ZINC000981071914 656102461 /nfs/dbraw/zinc/10/24/61/656102461.db2.gz WSKXYEVATHSPDO-JTQLQIEISA-N 1 2 292.343 -1.149 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CCCN(C(=O)c2cn(C)nn2)CC1 ZINC000981096941 656102467 /nfs/dbraw/zinc/10/24/67/656102467.db2.gz UNWNQQKGRHPYLS-SECBINFHSA-N 1 2 280.332 -1.163 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CCCN(C(=O)c2cn(C)nn2)CC1 ZINC000981096941 656102468 /nfs/dbraw/zinc/10/24/68/656102468.db2.gz UNWNQQKGRHPYLS-SECBINFHSA-N 1 2 280.332 -1.163 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CCCN(C(=O)c2ncn(C)n2)CC1 ZINC000981086103 656102489 /nfs/dbraw/zinc/10/24/89/656102489.db2.gz YZIMPYZFCSFXDT-VIFPVBQESA-N 1 2 280.332 -1.163 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CCCN(C(=O)c2ncn(C)n2)CC1 ZINC000981086103 656102497 /nfs/dbraw/zinc/10/24/97/656102497.db2.gz YZIMPYZFCSFXDT-VIFPVBQESA-N 1 2 280.332 -1.163 20 0 CAADLO O=C([C@H]1COC(=O)N1)N1CCC[N@@H+]([C@H]2CCNC2=O)CC1 ZINC000981074453 656102532 /nfs/dbraw/zinc/10/25/32/656102532.db2.gz VTGFYCZXKXSNIG-ZJUUUORDSA-N 1 2 296.327 -1.482 20 0 CAADLO O=C([C@H]1COC(=O)N1)N1CCC[N@H+]([C@H]2CCNC2=O)CC1 ZINC000981074453 656102535 /nfs/dbraw/zinc/10/25/35/656102535.db2.gz VTGFYCZXKXSNIG-ZJUUUORDSA-N 1 2 296.327 -1.482 20 0 CAADLO Cc1nnc(CC(=O)N2CCC[N@H+](CC(N)=O)CC2)o1 ZINC000981096909 656102567 /nfs/dbraw/zinc/10/25/67/656102567.db2.gz RYXIBNMGPRMWQR-UHFFFAOYSA-N 1 2 281.316 -1.060 20 0 CAADLO Cc1nnc(CC(=O)N2CCC[N@@H+](CC(N)=O)CC2)o1 ZINC000981096909 656102569 /nfs/dbraw/zinc/10/25/69/656102569.db2.gz RYXIBNMGPRMWQR-UHFFFAOYSA-N 1 2 281.316 -1.060 20 0 CAADLO NC(=O)C[N@@H+]1CCCN(C(=O)[C@H]2COC(=O)N2)CC1 ZINC000981074136 656102647 /nfs/dbraw/zinc/10/26/47/656102647.db2.gz PZBAUENJYXTBPX-MRVPVSSYSA-N 1 2 270.289 -1.886 20 0 CAADLO NC(=O)C[N@H+]1CCCN(C(=O)[C@H]2COC(=O)N2)CC1 ZINC000981074136 656102652 /nfs/dbraw/zinc/10/26/52/656102652.db2.gz PZBAUENJYXTBPX-MRVPVSSYSA-N 1 2 270.289 -1.886 20 0 CAADLO NC(=O)C[N@@H+]1CCCN(C(=O)Cn2ncnn2)CC1 ZINC000981172060 656102673 /nfs/dbraw/zinc/10/26/73/656102673.db2.gz SUTZGGKUAHPKKD-UHFFFAOYSA-N 1 2 267.293 -2.307 20 0 CAADLO NC(=O)C[N@H+]1CCCN(C(=O)Cn2ncnn2)CC1 ZINC000981172060 656102676 /nfs/dbraw/zinc/10/26/76/656102676.db2.gz SUTZGGKUAHPKKD-UHFFFAOYSA-N 1 2 267.293 -2.307 20 0 CAADLO Cn1ccc(CC(=O)N2CCC[N@H+](CC(N)=O)CC2)n1 ZINC000981143756 656102704 /nfs/dbraw/zinc/10/27/04/656102704.db2.gz SOCXYTJMUDQUNT-UHFFFAOYSA-N 1 2 279.344 -1.018 20 0 CAADLO Cn1ccc(CC(=O)N2CCC[N@@H+](CC(N)=O)CC2)n1 ZINC000981143756 656102707 /nfs/dbraw/zinc/10/27/07/656102707.db2.gz SOCXYTJMUDQUNT-UHFFFAOYSA-N 1 2 279.344 -1.018 20 0 CAADLO O=C([C@H]1COC(=O)N1)N1CCC[N@@H+]([C@@H]2CCNC2=O)CC1 ZINC000981074450 656102714 /nfs/dbraw/zinc/10/27/14/656102714.db2.gz VTGFYCZXKXSNIG-NXEZZACHSA-N 1 2 296.327 -1.482 20 0 CAADLO O=C([C@H]1COC(=O)N1)N1CCC[N@H+]([C@@H]2CCNC2=O)CC1 ZINC000981074450 656102719 /nfs/dbraw/zinc/10/27/19/656102719.db2.gz VTGFYCZXKXSNIG-NXEZZACHSA-N 1 2 296.327 -1.482 20 0 CAADLO O=C([C@@H]1COC(=O)N1)N1CCC[N@@H+]([C@@H]2CCNC2=O)CC1 ZINC000981074452 656102768 /nfs/dbraw/zinc/10/27/68/656102768.db2.gz VTGFYCZXKXSNIG-VHSXEESVSA-N 1 2 296.327 -1.482 20 0 CAADLO O=C([C@@H]1COC(=O)N1)N1CCC[N@H+]([C@@H]2CCNC2=O)CC1 ZINC000981074452 656102770 /nfs/dbraw/zinc/10/27/70/656102770.db2.gz VTGFYCZXKXSNIG-VHSXEESVSA-N 1 2 296.327 -1.482 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CCCN(C(=O)c2ncn(C)n2)CC1 ZINC000981086102 656102870 /nfs/dbraw/zinc/10/28/70/656102870.db2.gz YZIMPYZFCSFXDT-SECBINFHSA-N 1 2 280.332 -1.163 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CCCN(C(=O)c2ncn(C)n2)CC1 ZINC000981086102 656102873 /nfs/dbraw/zinc/10/28/73/656102873.db2.gz YZIMPYZFCSFXDT-SECBINFHSA-N 1 2 280.332 -1.163 20 0 CAADLO Cn1cc(C(=O)N2CCC[N@@H+]([C@H]3CCNC3=O)CC2)nn1 ZINC000981101227 656102988 /nfs/dbraw/zinc/10/29/88/656102988.db2.gz XOVRWYYSFWAJPN-NSHDSACASA-N 1 2 292.343 -1.149 20 0 CAADLO Cn1cc(C(=O)N2CCC[N@H+]([C@H]3CCNC3=O)CC2)nn1 ZINC000981101227 656102991 /nfs/dbraw/zinc/10/29/91/656102991.db2.gz XOVRWYYSFWAJPN-NSHDSACASA-N 1 2 292.343 -1.149 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CCCN(C(=O)Cn2nccn2)CC1 ZINC000981247163 656103512 /nfs/dbraw/zinc/10/35/12/656103512.db2.gz QEZDFBRSVVXILY-JTQLQIEISA-N 1 2 280.332 -1.314 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CCCN(C(=O)Cn2nccn2)CC1 ZINC000981247163 656103514 /nfs/dbraw/zinc/10/35/14/656103514.db2.gz QEZDFBRSVVXILY-JTQLQIEISA-N 1 2 280.332 -1.314 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CCCN(C(=O)[C@H]2CC(=O)N(C)C2)CC1 ZINC000981276500 656103818 /nfs/dbraw/zinc/10/38/18/656103818.db2.gz NPBTUCGPHULJAL-MNOVXSKESA-N 1 2 296.371 -1.127 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CCCN(C(=O)[C@H]2CC(=O)N(C)C2)CC1 ZINC000981276500 656103821 /nfs/dbraw/zinc/10/38/21/656103821.db2.gz NPBTUCGPHULJAL-MNOVXSKESA-N 1 2 296.371 -1.127 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CCC[C@H]1CNC(=O)c1nnn(C)n1 ZINC001028078463 656103977 /nfs/dbraw/zinc/10/39/77/656103977.db2.gz JSZWYXKGQVHXNW-SFYZADRCSA-N 1 2 281.320 -1.722 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CCC[C@H]1CNC(=O)c1nnn(C)n1 ZINC001028078463 656103979 /nfs/dbraw/zinc/10/39/79/656103979.db2.gz JSZWYXKGQVHXNW-SFYZADRCSA-N 1 2 281.320 -1.722 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CCC[C@H]1CNC(=O)c1nnn(C)n1 ZINC001028078464 656103998 /nfs/dbraw/zinc/10/39/98/656103998.db2.gz JSZWYXKGQVHXNW-YUMQZZPRSA-N 1 2 281.320 -1.722 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CCC[C@H]1CNC(=O)c1nnn(C)n1 ZINC001028078464 656104000 /nfs/dbraw/zinc/10/40/00/656104000.db2.gz JSZWYXKGQVHXNW-YUMQZZPRSA-N 1 2 281.320 -1.722 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CCCN(C(=O)[C@@H]2CC(=O)N(C)C2)CC1 ZINC000981276504 656104025 /nfs/dbraw/zinc/10/40/25/656104025.db2.gz NPBTUCGPHULJAL-WDEREUQCSA-N 1 2 296.371 -1.127 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CCCN(C(=O)[C@@H]2CC(=O)N(C)C2)CC1 ZINC000981276504 656104027 /nfs/dbraw/zinc/10/40/27/656104027.db2.gz NPBTUCGPHULJAL-WDEREUQCSA-N 1 2 296.371 -1.127 20 0 CAADLO Cn1nnc(C(=O)NC[C@H]2CCC[N@@H+]2CC(N)=O)n1 ZINC001028078848 656104233 /nfs/dbraw/zinc/10/42/33/656104233.db2.gz TYPUJEZRSIDWLH-SSDOTTSWSA-N 1 2 267.293 -2.110 20 0 CAADLO Cn1nnc(C(=O)NC[C@H]2CCC[N@H+]2CC(N)=O)n1 ZINC001028078848 656104236 /nfs/dbraw/zinc/10/42/36/656104236.db2.gz TYPUJEZRSIDWLH-SSDOTTSWSA-N 1 2 267.293 -2.110 20 0 CAADLO CNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)c1nnn(C)n1 ZINC001028078711 656104253 /nfs/dbraw/zinc/10/42/53/656104253.db2.gz PZUYHJDSYYQUGW-QMMMGPOBSA-N 1 2 281.320 -1.850 20 0 CAADLO CNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)c1nnn(C)n1 ZINC001028078711 656104254 /nfs/dbraw/zinc/10/42/54/656104254.db2.gz PZUYHJDSYYQUGW-QMMMGPOBSA-N 1 2 281.320 -1.850 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CCCN(C(=O)[C@H]2CC(=O)N(C)C2)CC1 ZINC000981276502 656104299 /nfs/dbraw/zinc/10/42/99/656104299.db2.gz NPBTUCGPHULJAL-QWRGUYRKSA-N 1 2 296.371 -1.127 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CCCN(C(=O)[C@H]2CC(=O)N(C)C2)CC1 ZINC000981276502 656104301 /nfs/dbraw/zinc/10/43/01/656104301.db2.gz NPBTUCGPHULJAL-QWRGUYRKSA-N 1 2 296.371 -1.127 20 0 CAADLO NC(=O)C[N@@H+]1CCCN(C(=O)C[C@@H]2CCNC2=O)CC1 ZINC000981322788 656104589 /nfs/dbraw/zinc/10/45/89/656104589.db2.gz WHHYHZTWJZILQR-JTQLQIEISA-N 1 2 282.344 -1.468 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CCCN(C(=O)C[C@@H]2CCNC2=O)CC1 ZINC000981319661 656104479 /nfs/dbraw/zinc/10/44/79/656104479.db2.gz NMMBVDKCBIXGTP-MNOVXSKESA-N 1 2 296.371 -1.079 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CCCN(C(=O)C[C@@H]2CCNC2=O)CC1 ZINC000981319661 656104485 /nfs/dbraw/zinc/10/44/85/656104485.db2.gz NMMBVDKCBIXGTP-MNOVXSKESA-N 1 2 296.371 -1.079 20 0 CAADLO O=C([C@@H]1CCC(=O)NC1)N1CC[NH+](CCO)CC1 ZINC000106906665 656104500 /nfs/dbraw/zinc/10/45/00/656104500.db2.gz PJSYDJONLOCEHU-SNVBAGLBSA-N 1 2 255.318 -1.351 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CCCN(C(=O)[C@@H]2CCCNC2=O)CC1 ZINC000981385129 656104543 /nfs/dbraw/zinc/10/45/43/656104543.db2.gz IUDMRSVWRQBBAH-GHMZBOCLSA-N 1 2 296.371 -1.079 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CCCN(C(=O)[C@@H]2CCCNC2=O)CC1 ZINC000981385129 656104552 /nfs/dbraw/zinc/10/45/52/656104552.db2.gz IUDMRSVWRQBBAH-GHMZBOCLSA-N 1 2 296.371 -1.079 20 0 CAADLO NC(=O)C[N@H+]1CCCN(C(=O)C[C@@H]2CCNC2=O)CC1 ZINC000981322788 656104592 /nfs/dbraw/zinc/10/45/92/656104592.db2.gz WHHYHZTWJZILQR-JTQLQIEISA-N 1 2 282.344 -1.468 20 0 CAADLO NC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2CCCNC2=O)CC1 ZINC000981390766 656104993 /nfs/dbraw/zinc/10/49/93/656104993.db2.gz JIHKEKKYSAFVGI-SNVBAGLBSA-N 1 2 282.344 -1.468 20 0 CAADLO NC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2CCCNC2=O)CC1 ZINC000981390766 656104996 /nfs/dbraw/zinc/10/49/96/656104996.db2.gz JIHKEKKYSAFVGI-SNVBAGLBSA-N 1 2 282.344 -1.468 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CCCN(C(=O)[C@H]2CCCNC2=O)CC1 ZINC000981385131 656105001 /nfs/dbraw/zinc/10/50/01/656105001.db2.gz IUDMRSVWRQBBAH-QWRGUYRKSA-N 1 2 296.371 -1.079 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CCCN(C(=O)[C@H]2CCCNC2=O)CC1 ZINC000981385131 656105005 /nfs/dbraw/zinc/10/50/05/656105005.db2.gz IUDMRSVWRQBBAH-QWRGUYRKSA-N 1 2 296.371 -1.079 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CCCN(C(=O)C[C@H]2CCNC2=O)CC1 ZINC000981319660 656105012 /nfs/dbraw/zinc/10/50/12/656105012.db2.gz NMMBVDKCBIXGTP-GHMZBOCLSA-N 1 2 296.371 -1.079 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CCCN(C(=O)C[C@H]2CCNC2=O)CC1 ZINC000981319660 656105016 /nfs/dbraw/zinc/10/50/16/656105016.db2.gz NMMBVDKCBIXGTP-GHMZBOCLSA-N 1 2 296.371 -1.079 20 0 CAADLO Cn1cnc(C(=O)N2CCC[N@H+](CC(N)=O)CC2)cc1=O ZINC000981367606 656105232 /nfs/dbraw/zinc/10/52/32/656105232.db2.gz SIGLEOYYGBJAEE-UHFFFAOYSA-N 1 2 293.327 -1.587 20 0 CAADLO Cn1cnc(C(=O)N2CCC[N@@H+](CC(N)=O)CC2)cc1=O ZINC000981367606 656105235 /nfs/dbraw/zinc/10/52/35/656105235.db2.gz SIGLEOYYGBJAEE-UHFFFAOYSA-N 1 2 293.327 -1.587 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CCCN(C(=O)C[C@H]2CCNC2=O)CC1 ZINC000981319663 656105254 /nfs/dbraw/zinc/10/52/54/656105254.db2.gz NMMBVDKCBIXGTP-WDEREUQCSA-N 1 2 296.371 -1.079 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CCCN(C(=O)C[C@H]2CCNC2=O)CC1 ZINC000981319663 656105257 /nfs/dbraw/zinc/10/52/57/656105257.db2.gz NMMBVDKCBIXGTP-WDEREUQCSA-N 1 2 296.371 -1.079 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CCCN(C(=O)[C@H]2CCC(=O)NC2)CC1 ZINC000981519796 656105492 /nfs/dbraw/zinc/10/54/92/656105492.db2.gz DKKKRIOLZKMLHL-MNOVXSKESA-N 1 2 296.371 -1.079 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CCCN(C(=O)[C@H]2CCC(=O)NC2)CC1 ZINC000981519796 656105496 /nfs/dbraw/zinc/10/54/96/656105496.db2.gz DKKKRIOLZKMLHL-MNOVXSKESA-N 1 2 296.371 -1.079 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CCCN(C(=O)[C@H]2CCC(=O)NC2)CC1 ZINC000981519798 656105571 /nfs/dbraw/zinc/10/55/71/656105571.db2.gz DKKKRIOLZKMLHL-QWRGUYRKSA-N 1 2 296.371 -1.079 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CCCN(C(=O)[C@H]2CCC(=O)NC2)CC1 ZINC000981519798 656105577 /nfs/dbraw/zinc/10/55/77/656105577.db2.gz DKKKRIOLZKMLHL-QWRGUYRKSA-N 1 2 296.371 -1.079 20 0 CAADLO C[C@@H]1C[C@H](C(=O)N2CCC[N@H+](CC(N)=O)CC2)CC(=O)N1 ZINC000981517245 656105759 /nfs/dbraw/zinc/10/57/59/656105759.db2.gz JEEZFMBEBISAFK-MNOVXSKESA-N 1 2 296.371 -1.079 20 0 CAADLO C[C@@H]1C[C@H](C(=O)N2CCC[N@@H+](CC(N)=O)CC2)CC(=O)N1 ZINC000981517245 656105761 /nfs/dbraw/zinc/10/57/61/656105761.db2.gz JEEZFMBEBISAFK-MNOVXSKESA-N 1 2 296.371 -1.079 20 0 CAADLO O=C(c1cn[nH]n1)N1CCC[N@@H+]([C@@H]2CCNC2=O)CC1 ZINC000981532905 656105829 /nfs/dbraw/zinc/10/58/29/656105829.db2.gz KSHGZEYTXHRHDF-SNVBAGLBSA-N 1 2 278.316 -1.159 20 0 CAADLO O=C(c1cn[nH]n1)N1CCC[N@H+]([C@@H]2CCNC2=O)CC1 ZINC000981532905 656105834 /nfs/dbraw/zinc/10/58/34/656105834.db2.gz KSHGZEYTXHRHDF-SNVBAGLBSA-N 1 2 278.316 -1.159 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCOC2)C1 ZINC001010343326 656106194 /nfs/dbraw/zinc/10/61/94/656106194.db2.gz FCFNHJVYVIDPKU-ZJUUUORDSA-N 1 2 255.318 -1.041 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCOC2)C1 ZINC001010343326 656106196 /nfs/dbraw/zinc/10/61/96/656106196.db2.gz FCFNHJVYVIDPKU-ZJUUUORDSA-N 1 2 255.318 -1.041 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CCCN(C(=O)[C@@]2(C)CNC(=O)C2)CC1 ZINC000981674212 656106268 /nfs/dbraw/zinc/10/62/68/656106268.db2.gz RNWXGJQZBGFOFN-QMTHXVAHSA-N 1 2 296.371 -1.079 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CCCN(C(=O)[C@@]2(C)CNC(=O)C2)CC1 ZINC000981674212 656106270 /nfs/dbraw/zinc/10/62/70/656106270.db2.gz RNWXGJQZBGFOFN-QMTHXVAHSA-N 1 2 296.371 -1.079 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CCCN(C(=O)[C@@]2(C)CNC(=O)C2)CC1 ZINC000981674211 656106598 /nfs/dbraw/zinc/10/65/98/656106598.db2.gz RNWXGJQZBGFOFN-IINYFYTJSA-N 1 2 296.371 -1.079 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CCCN(C(=O)[C@@]2(C)CNC(=O)C2)CC1 ZINC000981674211 656106602 /nfs/dbraw/zinc/10/66/02/656106602.db2.gz RNWXGJQZBGFOFN-IINYFYTJSA-N 1 2 296.371 -1.079 20 0 CAADLO NC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2CCNC(=O)CC2)CC1 ZINC000981694071 656106640 /nfs/dbraw/zinc/10/66/40/656106640.db2.gz ZQNJBYMMZZCIEE-NSHDSACASA-N 1 2 296.371 -1.078 20 0 CAADLO NC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2CCNC(=O)CC2)CC1 ZINC000981694071 656106641 /nfs/dbraw/zinc/10/66/41/656106641.db2.gz ZQNJBYMMZZCIEE-NSHDSACASA-N 1 2 296.371 -1.078 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCOC2)C1 ZINC001010343323 656106972 /nfs/dbraw/zinc/10/69/72/656106972.db2.gz FCFNHJVYVIDPKU-NXEZZACHSA-N 1 2 255.318 -1.041 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCOC2)C1 ZINC001010343323 656106974 /nfs/dbraw/zinc/10/69/74/656106974.db2.gz FCFNHJVYVIDPKU-NXEZZACHSA-N 1 2 255.318 -1.041 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CCCN(C(=O)[C@H]2CCN(C)C2=O)CC1 ZINC000981789750 656107251 /nfs/dbraw/zinc/10/72/51/656107251.db2.gz HWFQDONKLUYZAD-QWRGUYRKSA-N 1 2 296.371 -1.127 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CCCN(C(=O)[C@H]2CCN(C)C2=O)CC1 ZINC000981789750 656107254 /nfs/dbraw/zinc/10/72/54/656107254.db2.gz HWFQDONKLUYZAD-QWRGUYRKSA-N 1 2 296.371 -1.127 20 0 CAADLO Cn1cc(OCC(=O)N2CCC[N@H+](CC(N)=O)CC2)cn1 ZINC000981833953 656107553 /nfs/dbraw/zinc/10/75/53/656107553.db2.gz OCZHQHWDRMDSQO-UHFFFAOYSA-N 1 2 295.343 -1.182 20 0 CAADLO Cn1cc(OCC(=O)N2CCC[N@@H+](CC(N)=O)CC2)cn1 ZINC000981833953 656107558 /nfs/dbraw/zinc/10/75/58/656107558.db2.gz OCZHQHWDRMDSQO-UHFFFAOYSA-N 1 2 295.343 -1.182 20 0 CAADLO Cn1nnc(C(=O)N2CCC[N@@H+]([C@H]3CCNC3=O)CC2)n1 ZINC000981778429 656107634 /nfs/dbraw/zinc/10/76/34/656107634.db2.gz DMLUKBIKPURQIJ-VIFPVBQESA-N 1 2 293.331 -1.754 20 0 CAADLO Cn1nnc(C(=O)N2CCC[N@H+]([C@H]3CCNC3=O)CC2)n1 ZINC000981778429 656107639 /nfs/dbraw/zinc/10/76/39/656107639.db2.gz DMLUKBIKPURQIJ-VIFPVBQESA-N 1 2 293.331 -1.754 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CCCN(C(=O)[C@@H]2CNC(=O)N2)CC1 ZINC000981850405 656107764 /nfs/dbraw/zinc/10/77/64/656107764.db2.gz GUABDUHPMARASB-IUCAKERBSA-N 1 2 283.332 -1.924 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CCCN(C(=O)[C@@H]2CNC(=O)N2)CC1 ZINC000981850405 656107767 /nfs/dbraw/zinc/10/77/67/656107767.db2.gz GUABDUHPMARASB-IUCAKERBSA-N 1 2 283.332 -1.924 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(C(N)=O)[nH]1 ZINC001028137299 656107903 /nfs/dbraw/zinc/10/79/03/656107903.db2.gz IOFPZJFCOGWRFZ-MRVPVSSYSA-N 1 2 293.327 -1.207 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(C(N)=O)[nH]1 ZINC001028137299 656107906 /nfs/dbraw/zinc/10/79/06/656107906.db2.gz IOFPZJFCOGWRFZ-MRVPVSSYSA-N 1 2 293.327 -1.207 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CCCN(C(=O)[C@@H]2CCNC2=O)CC1 ZINC000981749444 656107971 /nfs/dbraw/zinc/10/79/71/656107971.db2.gz AZAOOHAEHSXVQL-NXEZZACHSA-N 1 2 282.344 -1.469 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CCCN(C(=O)[C@@H]2CCNC2=O)CC1 ZINC000981749444 656107974 /nfs/dbraw/zinc/10/79/74/656107974.db2.gz AZAOOHAEHSXVQL-NXEZZACHSA-N 1 2 282.344 -1.469 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CCCN(C(=O)[C@@H]2CN(C)C(=O)N2)CC1 ZINC000981750767 656107981 /nfs/dbraw/zinc/10/79/81/656107981.db2.gz JDKTTXQBOBZDNO-ZJUUUORDSA-N 1 2 297.359 -1.582 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CCCN(C(=O)[C@@H]2CN(C)C(=O)N2)CC1 ZINC000981750767 656107984 /nfs/dbraw/zinc/10/79/84/656107984.db2.gz JDKTTXQBOBZDNO-ZJUUUORDSA-N 1 2 297.359 -1.582 20 0 CAADLO NC(=O)C[N@@H+]1CCCN(C(=O)c2c[nH]c(=O)cn2)CC1 ZINC000981837090 656107997 /nfs/dbraw/zinc/10/79/97/656107997.db2.gz AGYPZBVCJRRDHD-UHFFFAOYSA-N 1 2 279.300 -1.597 20 0 CAADLO NC(=O)C[N@H+]1CCCN(C(=O)c2c[nH]c(=O)cn2)CC1 ZINC000981837090 656108000 /nfs/dbraw/zinc/10/80/00/656108000.db2.gz AGYPZBVCJRRDHD-UHFFFAOYSA-N 1 2 279.300 -1.597 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CCCN(C(=O)C2(C(N)=O)CC2)CC1 ZINC000981862665 656108568 /nfs/dbraw/zinc/10/85/68/656108568.db2.gz WENWBRWZQKVDSX-SECBINFHSA-N 1 2 282.344 -1.340 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CCCN(C(=O)C2(C(N)=O)CC2)CC1 ZINC000981862665 656108571 /nfs/dbraw/zinc/10/85/71/656108571.db2.gz WENWBRWZQKVDSX-SECBINFHSA-N 1 2 282.344 -1.340 20 0 CAADLO NC(=O)C(=O)N1CCC[N@H+](CC(=O)N2CCC2)CC1 ZINC000981854546 656108582 /nfs/dbraw/zinc/10/85/82/656108582.db2.gz UJSRMOCAGAOJKF-UHFFFAOYSA-N 1 2 268.317 -1.762 20 0 CAADLO NC(=O)C(=O)N1CCC[N@@H+](CC(=O)N2CCC2)CC1 ZINC000981854546 656108583 /nfs/dbraw/zinc/10/85/83/656108583.db2.gz UJSRMOCAGAOJKF-UHFFFAOYSA-N 1 2 268.317 -1.762 20 0 CAADLO NC(=O)C(=O)N1CCC[N@@H+]([C@H]2CCC(=O)NC2=O)CC1 ZINC000981861994 656108652 /nfs/dbraw/zinc/10/86/52/656108652.db2.gz PQSUNVUORARZKA-QMMMGPOBSA-N 1 2 282.300 -2.189 20 0 CAADLO NC(=O)C(=O)N1CCC[N@H+]([C@H]2CCC(=O)NC2=O)CC1 ZINC000981861994 656108654 /nfs/dbraw/zinc/10/86/54/656108654.db2.gz PQSUNVUORARZKA-QMMMGPOBSA-N 1 2 282.300 -2.189 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CCCN(C(=O)C2(C(N)=O)CC2)CC1 ZINC000981862666 656108727 /nfs/dbraw/zinc/10/87/27/656108727.db2.gz WENWBRWZQKVDSX-VIFPVBQESA-N 1 2 282.344 -1.340 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CCCN(C(=O)C2(C(N)=O)CC2)CC1 ZINC000981862666 656108729 /nfs/dbraw/zinc/10/87/29/656108729.db2.gz WENWBRWZQKVDSX-VIFPVBQESA-N 1 2 282.344 -1.340 20 0 CAADLO NC(=O)C1(C(=O)N2CCC[N@@H+]([C@@H]3CCNC3=O)CC2)CC1 ZINC000981865048 656108733 /nfs/dbraw/zinc/10/87/33/656108733.db2.gz LNAYKWZTUNWEKP-SNVBAGLBSA-N 1 2 294.355 -1.325 20 0 CAADLO NC(=O)C1(C(=O)N2CCC[N@H+]([C@@H]3CCNC3=O)CC2)CC1 ZINC000981865048 656108734 /nfs/dbraw/zinc/10/87/34/656108734.db2.gz LNAYKWZTUNWEKP-SNVBAGLBSA-N 1 2 294.355 -1.325 20 0 CAADLO Cn1ncc(CCC(=O)N2CCC[N@H+](CC(N)=O)CC2)n1 ZINC000981967814 656109203 /nfs/dbraw/zinc/10/92/03/656109203.db2.gz JBSNKWNPSZWJFR-UHFFFAOYSA-N 1 2 294.359 -1.233 20 0 CAADLO Cn1ncc(CCC(=O)N2CCC[N@@H+](CC(N)=O)CC2)n1 ZINC000981967814 656109206 /nfs/dbraw/zinc/10/92/06/656109206.db2.gz JBSNKWNPSZWJFR-UHFFFAOYSA-N 1 2 294.359 -1.233 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CCCN(C(=O)[C@]2(C)CCNC2=O)CC1 ZINC000981945822 656109362 /nfs/dbraw/zinc/10/93/62/656109362.db2.gz SIBHFJRXDQUWBM-QMTHXVAHSA-N 1 2 296.371 -1.079 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CCCN(C(=O)[C@]2(C)CCNC2=O)CC1 ZINC000981945822 656109364 /nfs/dbraw/zinc/10/93/64/656109364.db2.gz SIBHFJRXDQUWBM-QMTHXVAHSA-N 1 2 296.371 -1.079 20 0 CAADLO C[C@@]1(C(=O)N2CCC[N@H+](CC(N)=O)CC2)CCNC1=O ZINC000981945219 656109510 /nfs/dbraw/zinc/10/95/10/656109510.db2.gz IEAFYGHFOXMQAO-CYBMUJFWSA-N 1 2 282.344 -1.468 20 0 CAADLO C[C@@]1(C(=O)N2CCC[N@@H+](CC(N)=O)CC2)CCNC1=O ZINC000981945219 656109513 /nfs/dbraw/zinc/10/95/13/656109513.db2.gz IEAFYGHFOXMQAO-CYBMUJFWSA-N 1 2 282.344 -1.468 20 0 CAADLO NC(=O)[C@@H]1C[C@@H]1C(=O)N1CCC[N@@H+]([C@@H]2CCNC2=O)CC1 ZINC000981972646 656109546 /nfs/dbraw/zinc/10/95/46/656109546.db2.gz YYQVUBPBNKJDCJ-OUAUKWLOSA-N 1 2 294.355 -1.469 20 0 CAADLO NC(=O)[C@@H]1C[C@@H]1C(=O)N1CCC[N@H+]([C@@H]2CCNC2=O)CC1 ZINC000981972646 656109550 /nfs/dbraw/zinc/10/95/50/656109550.db2.gz YYQVUBPBNKJDCJ-OUAUKWLOSA-N 1 2 294.355 -1.469 20 0 CAADLO C[C@H](C(=O)N1CCC[N@H+](CC(N)=O)CC1)[C@@H]1CCC(=O)N1 ZINC000982006209 656109773 /nfs/dbraw/zinc/10/97/73/656109773.db2.gz BXPROAPSDQOTHU-QWRGUYRKSA-N 1 2 296.371 -1.079 20 0 CAADLO C[C@H](C(=O)N1CCC[N@@H+](CC(N)=O)CC1)[C@@H]1CCC(=O)N1 ZINC000982006209 656109777 /nfs/dbraw/zinc/10/97/77/656109777.db2.gz BXPROAPSDQOTHU-QWRGUYRKSA-N 1 2 296.371 -1.079 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CCC[C@H]1CNC(=O)c1cnn(C)n1 ZINC001028198631 656110011 /nfs/dbraw/zinc/11/00/11/656110011.db2.gz MKXZRGWKCDPSFE-IUCAKERBSA-N 1 2 280.332 -1.117 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CCC[C@H]1CNC(=O)c1cnn(C)n1 ZINC001028198631 656110013 /nfs/dbraw/zinc/11/00/13/656110013.db2.gz MKXZRGWKCDPSFE-IUCAKERBSA-N 1 2 280.332 -1.117 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCC(=O)N2)C1 ZINC001010378682 656110032 /nfs/dbraw/zinc/11/00/32/656110032.db2.gz RDDHNMOGYOOWCB-RKDXNWHRSA-N 1 2 268.317 -1.799 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CCC(=O)N2)C1 ZINC001010378682 656110034 /nfs/dbraw/zinc/11/00/34/656110034.db2.gz RDDHNMOGYOOWCB-RKDXNWHRSA-N 1 2 268.317 -1.799 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CCC[C@H]1CNC(=O)c1cnn(C)n1 ZINC001028198629 656110217 /nfs/dbraw/zinc/11/02/17/656110217.db2.gz MKXZRGWKCDPSFE-BDAKNGLRSA-N 1 2 280.332 -1.117 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CCC[C@H]1CNC(=O)c1cnn(C)n1 ZINC001028198629 656110218 /nfs/dbraw/zinc/11/02/18/656110218.db2.gz MKXZRGWKCDPSFE-BDAKNGLRSA-N 1 2 280.332 -1.117 20 0 CAADLO CCn1cc(C(=O)NC[C@@H]2CCC[N@@H+]2CC(N)=O)nn1 ZINC001028229078 656110558 /nfs/dbraw/zinc/11/05/58/656110558.db2.gz CLYPJRDVIICZCY-VIFPVBQESA-N 1 2 280.332 -1.023 20 0 CAADLO CCn1cc(C(=O)NC[C@@H]2CCC[N@H+]2CC(N)=O)nn1 ZINC001028229078 656110561 /nfs/dbraw/zinc/11/05/61/656110561.db2.gz CLYPJRDVIICZCY-VIFPVBQESA-N 1 2 280.332 -1.023 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(C(N)=O)c[nH]1 ZINC001028228660 656110650 /nfs/dbraw/zinc/11/06/50/656110650.db2.gz VQQXGHDPZYWDCE-SECBINFHSA-N 1 2 293.327 -1.207 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)c1cc(C(N)=O)c[nH]1 ZINC001028228660 656110651 /nfs/dbraw/zinc/11/06/51/656110651.db2.gz VQQXGHDPZYWDCE-SECBINFHSA-N 1 2 293.327 -1.207 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)c1cc(C(N)=O)c[nH]1 ZINC001028228661 656110993 /nfs/dbraw/zinc/11/09/93/656110993.db2.gz VQQXGHDPZYWDCE-VIFPVBQESA-N 1 2 293.327 -1.207 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@H]1CNC(=O)c1cc(C(N)=O)c[nH]1 ZINC001028228661 656110996 /nfs/dbraw/zinc/11/09/96/656110996.db2.gz VQQXGHDPZYWDCE-VIFPVBQESA-N 1 2 293.327 -1.207 20 0 CAADLO NC(=O)C[N@@H+]1CCCN(C(=O)C[C@@H]2CCC(=O)N2)CC1 ZINC000982189984 656111136 /nfs/dbraw/zinc/11/11/36/656111136.db2.gz GAXMDGNUMAKXDV-JTQLQIEISA-N 1 2 282.344 -1.325 20 0 CAADLO NC(=O)C[N@H+]1CCCN(C(=O)C[C@@H]2CCC(=O)N2)CC1 ZINC000982189984 656111140 /nfs/dbraw/zinc/11/11/40/656111140.db2.gz GAXMDGNUMAKXDV-JTQLQIEISA-N 1 2 282.344 -1.325 20 0 CAADLO Cc1c(C(=O)N[C@H]2CC[N@@H+]([C@@H]3CCNC3=O)C2)nnn1C ZINC001010416605 656112148 /nfs/dbraw/zinc/11/21/48/656112148.db2.gz VHWFYEUACHEODT-VHSXEESVSA-N 1 2 292.343 -1.184 20 0 CAADLO Cc1c(C(=O)N[C@H]2CC[N@H+]([C@@H]3CCNC3=O)C2)nnn1C ZINC001010416605 656112150 /nfs/dbraw/zinc/11/21/50/656112150.db2.gz VHWFYEUACHEODT-VHSXEESVSA-N 1 2 292.343 -1.184 20 0 CAADLO CNC(=O)CN1CC[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001010428858 656112160 /nfs/dbraw/zinc/11/21/60/656112160.db2.gz RDODYZGQSZFAOQ-QWRGUYRKSA-N 1 2 284.360 -1.747 20 0 CAADLO CNC(=O)CN1CC[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001010428858 656112161 /nfs/dbraw/zinc/11/21/61/656112161.db2.gz RDODYZGQSZFAOQ-QWRGUYRKSA-N 1 2 284.360 -1.747 20 0 CAADLO C[C@@H]1[C@H](NC(=O)Cc2[nH]cc[nH+]2)CCN1C(=O)C(N)=O ZINC001012019968 656116039 /nfs/dbraw/zinc/11/60/39/656116039.db2.gz ZYEWTISASJETSO-HTQZYQBOSA-N 1 2 279.300 -1.457 20 0 CAADLO C[C@H]1[C@H](NC(=O)Cc2[nH]cc[nH+]2)CCN1C(=O)C(N)=O ZINC001012019970 656116188 /nfs/dbraw/zinc/11/61/88/656116188.db2.gz ZYEWTISASJETSO-JGVFFNPUSA-N 1 2 279.300 -1.457 20 0 CAADLO NC(=O)C[N@@H+]1CCCN(C(=O)Cc2ncc[nH]2)CC1 ZINC000982797059 656116561 /nfs/dbraw/zinc/11/65/61/656116561.db2.gz YNBHYECCOUGVKV-UHFFFAOYSA-N 1 2 265.317 -1.028 20 0 CAADLO NC(=O)C[N@H+]1CCCN(C(=O)Cc2ncc[nH]2)CC1 ZINC000982797059 656116563 /nfs/dbraw/zinc/11/65/63/656116563.db2.gz YNBHYECCOUGVKV-UHFFFAOYSA-N 1 2 265.317 -1.028 20 0 CAADLO NC(=O)C[N@@H+]1CCCN(C(=O)CCn2cnnn2)CC1 ZINC000982660693 656116745 /nfs/dbraw/zinc/11/67/45/656116745.db2.gz VZZOWLFKGNZXAM-UHFFFAOYSA-N 1 2 281.320 -1.917 20 0 CAADLO NC(=O)C[N@H+]1CCCN(C(=O)CCn2cnnn2)CC1 ZINC000982660693 656116747 /nfs/dbraw/zinc/11/67/47/656116747.db2.gz VZZOWLFKGNZXAM-UHFFFAOYSA-N 1 2 281.320 -1.917 20 0 CAADLO C[C@@H]1[C@H](NC(=O)Cn2cc[nH+]c2)CCN1C(=O)C(N)=O ZINC001012024113 656117044 /nfs/dbraw/zinc/11/70/44/656117044.db2.gz XIVTZUVLWGDPAQ-RKDXNWHRSA-N 1 2 279.300 -1.526 20 0 CAADLO CN1CC(C(=O)NC[C@H]2CC[N@H+](CC(N)=O)C2)=NC1=O ZINC001028783125 656121336 /nfs/dbraw/zinc/12/13/36/656121336.db2.gz IVFDLVICTGHOFX-MRVPVSSYSA-N 1 2 281.316 -1.337 20 0 CAADLO CN1CC(C(=O)NC[C@H]2CC[N@@H+](CC(N)=O)C2)=NC1=O ZINC001028783125 656121338 /nfs/dbraw/zinc/12/13/38/656121338.db2.gz IVFDLVICTGHOFX-MRVPVSSYSA-N 1 2 281.316 -1.337 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](CNC(=O)c2nc[nH]n2)C1 ZINC001028878036 656122721 /nfs/dbraw/zinc/12/27/21/656122721.db2.gz HEJPLKWERWYOPA-BDAKNGLRSA-N 1 2 280.332 -1.009 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+]1CC[C@@H](CNC(=O)c2nc[nH]n2)C1 ZINC001028878036 656122723 /nfs/dbraw/zinc/12/27/23/656122723.db2.gz HEJPLKWERWYOPA-BDAKNGLRSA-N 1 2 280.332 -1.009 20 0 CAADLO O=C(NC[C@H]1CC[N@@H+]([C@H]2CCNC2=O)C1)c1nc[nH]n1 ZINC001028877101 656122836 /nfs/dbraw/zinc/12/28/36/656122836.db2.gz PGOSOOZMBXEAAP-BDAKNGLRSA-N 1 2 278.316 -1.255 20 0 CAADLO O=C(NC[C@H]1CC[N@H+]([C@H]2CCNC2=O)C1)c1nc[nH]n1 ZINC001028877101 656122837 /nfs/dbraw/zinc/12/28/37/656122837.db2.gz PGOSOOZMBXEAAP-BDAKNGLRSA-N 1 2 278.316 -1.255 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CC[C@H](CNC(=O)c2nc[nH]n2)C1 ZINC001028877033 656122903 /nfs/dbraw/zinc/12/29/03/656122903.db2.gz NAYZCTRQBXDDEV-HTQZYQBOSA-N 1 2 266.305 -1.270 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CC[C@H](CNC(=O)c2nc[nH]n2)C1 ZINC001028877033 656122905 /nfs/dbraw/zinc/12/29/05/656122905.db2.gz NAYZCTRQBXDDEV-HTQZYQBOSA-N 1 2 266.305 -1.270 20 0 CAADLO O=C(NC[C@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1)c1nc[nH]n1 ZINC001028877104 656123083 /nfs/dbraw/zinc/12/30/83/656123083.db2.gz PGOSOOZMBXEAAP-RKDXNWHRSA-N 1 2 278.316 -1.255 20 0 CAADLO O=C(NC[C@H]1CC[N@H+]([C@@H]2CCNC2=O)C1)c1nc[nH]n1 ZINC001028877104 656123086 /nfs/dbraw/zinc/12/30/86/656123086.db2.gz PGOSOOZMBXEAAP-RKDXNWHRSA-N 1 2 278.316 -1.255 20 0 CAADLO O=C(NC[C@@H]1CC[N@@H+]([C@H]2CCNC2=O)C1)c1nc[nH]n1 ZINC001028877103 656123104 /nfs/dbraw/zinc/12/31/04/656123104.db2.gz PGOSOOZMBXEAAP-IUCAKERBSA-N 1 2 278.316 -1.255 20 0 CAADLO O=C(NC[C@@H]1CC[N@H+]([C@H]2CCNC2=O)C1)c1nc[nH]n1 ZINC001028877103 656123108 /nfs/dbraw/zinc/12/31/08/656123108.db2.gz PGOSOOZMBXEAAP-IUCAKERBSA-N 1 2 278.316 -1.255 20 0 CAADLO NC(=O)C(=O)N[C@@H]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000983646933 656124368 /nfs/dbraw/zinc/12/43/68/656124368.db2.gz UOMGBOHIUHLMEO-NXEZZACHSA-N 1 2 293.327 -1.088 20 0 CAADLO NC(=O)CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N1CCC1 ZINC001029248622 656126054 /nfs/dbraw/zinc/12/60/54/656126054.db2.gz DBHRARXNKFJMTJ-PHIMTYICSA-N 1 2 294.355 -1.231 20 0 CAADLO NC(=O)CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N1CCC1 ZINC001029248622 656126056 /nfs/dbraw/zinc/12/60/56/656126056.db2.gz DBHRARXNKFJMTJ-PHIMTYICSA-N 1 2 294.355 -1.231 20 0 CAADLO NC(=O)CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)NC1CC1 ZINC001029248563 656126121 /nfs/dbraw/zinc/12/61/21/656126121.db2.gz BOPWYXDDFYXRCZ-PHIMTYICSA-N 1 2 294.355 -1.184 20 0 CAADLO NC(=O)CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)NC1CC1 ZINC001029248563 656126124 /nfs/dbraw/zinc/12/61/24/656126124.db2.gz BOPWYXDDFYXRCZ-PHIMTYICSA-N 1 2 294.355 -1.184 20 0 CAADLO Cc1nnc(CC(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3CC(N)=O)[nH]1 ZINC001029303602 656126518 /nfs/dbraw/zinc/12/65/18/656126518.db2.gz VCKGXUXZXPARHN-AOOOYVTPSA-N 1 2 292.343 -1.184 20 0 CAADLO Cc1nnc(CC(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(N)=O)[nH]1 ZINC001029303602 656126520 /nfs/dbraw/zinc/12/65/20/656126520.db2.gz VCKGXUXZXPARHN-AOOOYVTPSA-N 1 2 292.343 -1.184 20 0 CAADLO Cn1nnc(C[NH2+]C[C@H]2C[C@H](NC(=O)c3cn[nH]n3)C2)n1 ZINC000984177459 656127531 /nfs/dbraw/zinc/12/75/31/656127531.db2.gz CDGMARLHJQKWLX-ZKCHVHJHSA-N 1 2 291.319 -1.374 20 0 CAADLO CN(C(=O)C(N)=O)[C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000984710318 656129153 /nfs/dbraw/zinc/12/91/53/656129153.db2.gz QRUYMHPCOOZVHD-SNVBAGLBSA-N 1 2 293.327 -1.113 20 0 CAADLO C[C@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2)CN1C(=O)CC(N)=O ZINC001012412380 656129629 /nfs/dbraw/zinc/12/96/29/656129629.db2.gz NDWGDUDHOBYCOS-VHSXEESVSA-N 1 2 293.327 -1.136 20 0 CAADLO C[C@@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2)CN1C(=O)CC(N)=O ZINC001012412378 656129681 /nfs/dbraw/zinc/12/96/81/656129681.db2.gz NDWGDUDHOBYCOS-NXEZZACHSA-N 1 2 293.327 -1.136 20 0 CAADLO CC[C@@H]1[C@@H](NC(=O)C(N)=O)CCN1C(=O)Cc1[nH]cc[nH+]1 ZINC000985378640 656131925 /nfs/dbraw/zinc/13/19/25/656131925.db2.gz OPGZGCKFVQNGGP-DTWKUNHWSA-N 1 2 293.327 -1.067 20 0 CAADLO COC(=O)[C@](C)(CO)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000909587355 656131940 /nfs/dbraw/zinc/13/19/40/656131940.db2.gz VZKNQPGPZWSPTC-KWQFWETISA-N 1 2 260.290 -1.643 20 0 CAADLO COC(=O)[C@](C)(CO)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000909587355 656131943 /nfs/dbraw/zinc/13/19/43/656131943.db2.gz VZKNQPGPZWSPTC-KWQFWETISA-N 1 2 260.290 -1.643 20 0 CAADLO COC(=O)[C@](C)(CO)NC(=O)/C=C/C[NH+]1CCOCC1 ZINC000909589493 656132034 /nfs/dbraw/zinc/13/20/34/656132034.db2.gz IBCMPJJBNYKRQR-OOPCZODUSA-N 1 2 286.328 -1.085 20 0 CAADLO COC(=O)[C@@](C)(CO)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000909587356 656132059 /nfs/dbraw/zinc/13/20/59/656132059.db2.gz VZKNQPGPZWSPTC-LDYMZIIASA-N 1 2 260.290 -1.643 20 0 CAADLO COC(=O)[C@@](C)(CO)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000909587356 656132061 /nfs/dbraw/zinc/13/20/61/656132061.db2.gz VZKNQPGPZWSPTC-LDYMZIIASA-N 1 2 260.290 -1.643 20 0 CAADLO Cn1cnnc1C[N@H+](C)C[C@@H]1CCN(C(=O)CC(N)=O)C1 ZINC001029683880 656132732 /nfs/dbraw/zinc/13/27/32/656132732.db2.gz GVXLOKOXAOKEFU-JTQLQIEISA-N 1 2 294.359 -1.029 20 0 CAADLO Cn1cnnc1C[N@@H+](C)C[C@@H]1CCN(C(=O)CC(N)=O)C1 ZINC001029683880 656132734 /nfs/dbraw/zinc/13/27/34/656132734.db2.gz GVXLOKOXAOKEFU-JTQLQIEISA-N 1 2 294.359 -1.029 20 0 CAADLO Cc1nnc(C[N@H+](C)C[C@@H]2CCN(C(=O)C(N)=O)C2)[nH]1 ZINC001029822306 656133796 /nfs/dbraw/zinc/13/37/96/656133796.db2.gz BQIGWKKFMCFOOW-VIFPVBQESA-N 1 2 280.332 -1.121 20 0 CAADLO Cc1nnc(C[N@@H+](C)C[C@@H]2CCN(C(=O)C(N)=O)C2)[nH]1 ZINC001029822306 656133800 /nfs/dbraw/zinc/13/38/00/656133800.db2.gz BQIGWKKFMCFOOW-VIFPVBQESA-N 1 2 280.332 -1.121 20 0 CAADLO Cn1cnnc1C[N@H+](C)C[C@H]1CCN(C(=O)C(N)=O)C1 ZINC001029822193 656133855 /nfs/dbraw/zinc/13/38/55/656133855.db2.gz ZLDMYCBJENJUAI-SECBINFHSA-N 1 2 280.332 -1.419 20 0 CAADLO Cn1cnnc1C[N@@H+](C)C[C@H]1CCN(C(=O)C(N)=O)C1 ZINC001029822193 656133857 /nfs/dbraw/zinc/13/38/57/656133857.db2.gz ZLDMYCBJENJUAI-SECBINFHSA-N 1 2 280.332 -1.419 20 0 CAADLO C[C@H]1C[C@H](NC(=O)C(N)=O)CN1C(=O)CCc1c[nH]c[nH+]1 ZINC001012923901 656135807 /nfs/dbraw/zinc/13/58/07/656135807.db2.gz QIXNOYHYMJWEQF-WPRPVWTQSA-N 1 2 293.327 -1.067 20 0 CAADLO C[C@H]1C[C@H](NC(=O)C(N)=O)CN1C(=O)CCc1c[nH+]c[nH]1 ZINC001012923901 656135811 /nfs/dbraw/zinc/13/58/11/656135811.db2.gz QIXNOYHYMJWEQF-WPRPVWTQSA-N 1 2 293.327 -1.067 20 0 CAADLO C[C@@H]1[C@H]([NH2+]Cc2nnn(C)n2)CCN1C(=O)CC(N)=O ZINC000986114892 656135908 /nfs/dbraw/zinc/13/59/08/656135908.db2.gz RTTLTNNGAKQUPA-HTQZYQBOSA-N 1 2 281.320 -1.836 20 0 CAADLO C[C@H]1[C@H]([NH2+]Cc2nnn(C)n2)CCN1C(=O)c1cn[nH]n1 ZINC000986458597 656137162 /nfs/dbraw/zinc/13/71/62/656137162.db2.gz YEVAHURNFALACN-JGVFFNPUSA-N 1 2 291.319 -1.279 20 0 CAADLO C[C@H]1[C@@H]([NH2+]Cc2nc(N(C)C)no2)CCN1C(=O)C(N)=O ZINC000986775392 656137984 /nfs/dbraw/zinc/13/79/84/656137984.db2.gz CYCUPYRFJAICGZ-YUMQZZPRSA-N 1 2 296.331 -1.300 20 0 CAADLO C[C@H]1[C@H]([NH2+]Cc2cnon2)CCN1C(=O)C(N)=O ZINC000986791457 656138047 /nfs/dbraw/zinc/13/80/47/656138047.db2.gz DYDLDGMBXIVYLV-POYBYMJQSA-N 1 2 253.262 -1.366 20 0 CAADLO C[C@H]1[C@H]([NH2+]Cc2nc(N(C)C)no2)CCN1C(=O)C(N)=O ZINC000986775387 656138120 /nfs/dbraw/zinc/13/81/20/656138120.db2.gz CYCUPYRFJAICGZ-JGVFFNPUSA-N 1 2 296.331 -1.300 20 0 CAADLO Cc1noc(C[NH2+][C@H]2CCN(C(=O)C(N)=O)[C@@H]2C)n1 ZINC000986777476 656138154 /nfs/dbraw/zinc/13/81/54/656138154.db2.gz HXTIVWCKSBRUBJ-SVRRBLITSA-N 1 2 267.289 -1.058 20 0 CAADLO COCc1noc(C[NH2+][C@@H]2CCN(C(=O)C(N)=O)[C@@H]2C)n1 ZINC000986777498 656138156 /nfs/dbraw/zinc/13/81/56/656138156.db2.gz IEROORUIBRONKH-HTQZYQBOSA-N 1 2 297.315 -1.220 20 0 CAADLO Cc1nnc(C[NH2+][C@H]2CCN(C(=O)C(N)=O)[C@H]2C)o1 ZINC000986773910 656138161 /nfs/dbraw/zinc/13/81/61/656138161.db2.gz AGLLULCRTWLJDK-XPUUQOCRSA-N 1 2 267.289 -1.058 20 0 CAADLO Cc1nonc1C[NH2+][C@@H]1CCN(C(=O)C(N)=O)[C@H]1C ZINC000986784120 656138497 /nfs/dbraw/zinc/13/84/97/656138497.db2.gz XKPSSKUVWMPRNF-JGVFFNPUSA-N 1 2 267.289 -1.058 20 0 CAADLO C[C@H]1[C@@H]([NH2+]CC(N)=O)CCN1C(=O)Cc1ncn[nH]1 ZINC000987330744 656139895 /nfs/dbraw/zinc/13/98/95/656139895.db2.gz UYECQIUWENROEC-YUMQZZPRSA-N 1 2 266.305 -1.589 20 0 CAADLO C[C@@H]1[C@@H]([NH2+]CC(N)=O)CCN1C(=O)Cc1ncn[nH]1 ZINC000987330743 656139970 /nfs/dbraw/zinc/13/99/70/656139970.db2.gz UYECQIUWENROEC-SFYZADRCSA-N 1 2 266.305 -1.589 20 0 CAADLO COCC(=O)N1C[C@H]([NH2+]Cc2nc(=O)n(C)[nH]2)C[C@H]1C ZINC000987655405 656141095 /nfs/dbraw/zinc/14/10/95/656141095.db2.gz LGCUXSWVOVCPRU-RKDXNWHRSA-N 1 2 283.332 -1.166 20 0 CAADLO C[C@H]1C[C@H](NC(=O)Cc2[nH]cc[nH+]2)CN1C(=O)C(N)=O ZINC001013965184 656142228 /nfs/dbraw/zinc/14/22/28/656142228.db2.gz FKHGDSIKVPHVSQ-YUMQZZPRSA-N 1 2 279.300 -1.457 20 0 CAADLO C[C@@H]1C[C@@H](NC(=O)Cc2[nH]cc[nH+]2)CN1C(=O)C(N)=O ZINC001013965181 656142593 /nfs/dbraw/zinc/14/25/93/656142593.db2.gz FKHGDSIKVPHVSQ-HTQZYQBOSA-N 1 2 279.300 -1.457 20 0 CAADLO CCOC(=O)[C@H]1NC(=O)N(C[C@@H]2C[N@H+](C)CCO2)C1=O ZINC000925297498 656147167 /nfs/dbraw/zinc/14/71/67/656147167.db2.gz GPZSWJWUNYPVIM-IUCAKERBSA-N 1 2 285.300 -1.200 20 0 CAADLO CCOC(=O)[C@H]1NC(=O)N(C[C@@H]2C[N@@H+](C)CCO2)C1=O ZINC000925297498 656147173 /nfs/dbraw/zinc/14/71/73/656147173.db2.gz GPZSWJWUNYPVIM-IUCAKERBSA-N 1 2 285.300 -1.200 20 0 CAADLO CCOC(=O)[C@H]1NC(=O)N(C[C@H]2C[N@H+](C)CCO2)C1=O ZINC000925297489 656147317 /nfs/dbraw/zinc/14/73/17/656147317.db2.gz GPZSWJWUNYPVIM-BDAKNGLRSA-N 1 2 285.300 -1.200 20 0 CAADLO CCOC(=O)[C@H]1NC(=O)N(C[C@H]2C[N@@H+](C)CCO2)C1=O ZINC000925297489 656147318 /nfs/dbraw/zinc/14/73/18/656147318.db2.gz GPZSWJWUNYPVIM-BDAKNGLRSA-N 1 2 285.300 -1.200 20 0 CAADLO CCOC(=O)[C@@H]1NC(=O)N(C[C@H]2C[N@H+](C)CCO2)C1=O ZINC000925297500 656147334 /nfs/dbraw/zinc/14/73/34/656147334.db2.gz GPZSWJWUNYPVIM-RKDXNWHRSA-N 1 2 285.300 -1.200 20 0 CAADLO CCOC(=O)[C@@H]1NC(=O)N(C[C@H]2C[N@@H+](C)CCO2)C1=O ZINC000925297500 656147335 /nfs/dbraw/zinc/14/73/35/656147335.db2.gz GPZSWJWUNYPVIM-RKDXNWHRSA-N 1 2 285.300 -1.200 20 0 CAADLO C[C@@H]1C[C@H]([NH2+]Cc2ncnn2CCF)CN1C(=O)C(N)=O ZINC000989382484 656148858 /nfs/dbraw/zinc/14/88/58/656148858.db2.gz FFAGAHFHYFKSOR-BDAKNGLRSA-N 1 2 298.322 -1.188 20 0 CAADLO C[C@@H]1C[C@@H]([NH2+]Cc2nnnn2C)CN1C(=O)C(N)=O ZINC000989384872 656148876 /nfs/dbraw/zinc/14/88/76/656148876.db2.gz QCJNEPIZCUQRSK-RNFRBKRXSA-N 1 2 267.293 -2.226 20 0 CAADLO C[C@@H]1C[C@@H]([NH2+]Cc2nc(=O)n(C)[nH]2)CN1C(=O)C(N)=O ZINC000989383679 656148894 /nfs/dbraw/zinc/14/88/94/656148894.db2.gz KECKJJUAYQSNGW-RNFRBKRXSA-N 1 2 282.304 -2.327 20 0 CAADLO CCn1ncc(C[NH2+][C@H]2C[C@H](C)N(C(=O)C(N)=O)C2)n1 ZINC000989379723 656148912 /nfs/dbraw/zinc/14/89/12/656148912.db2.gz IOBHEESJDHGVBS-IUCAKERBSA-N 1 2 280.332 -1.138 20 0 CAADLO Cc1noc(C[NH2+][C@H]2C[C@H](C)N(C(=O)C(N)=O)C2)n1 ZINC000989380035 656149077 /nfs/dbraw/zinc/14/90/77/656149077.db2.gz AGHLIDZOZAWRPX-XPUUQOCRSA-N 1 2 267.289 -1.058 20 0 CAADLO C[C@H]1C[C@H]([NH2+]Cc2nnnn2C)CN1C(=O)C(N)=O ZINC000989384870 656149099 /nfs/dbraw/zinc/14/90/99/656149099.db2.gz QCJNEPIZCUQRSK-BQBZGAKWSA-N 1 2 267.293 -2.226 20 0 CAADLO C[C@H]1C[C@H]([NH2+]Cc2nnnn2C2CC2)CN1C(=O)C(N)=O ZINC000989380835 656149179 /nfs/dbraw/zinc/14/91/79/656149179.db2.gz QFELGZSRTFCEIG-YUMQZZPRSA-N 1 2 293.331 -1.428 20 0 CAADLO CCCn1nnnc1C[NH2+][C@H]1C[C@H](C)N(C(=O)C(N)=O)C1 ZINC000989397782 656149417 /nfs/dbraw/zinc/14/94/17/656149417.db2.gz MZFLIFPPTZSBQA-IUCAKERBSA-N 1 2 295.347 -1.353 20 0 CAADLO CC(C)n1nnnc1C[NH2+][C@@H]1C[C@@H](C)N(C(=O)C(N)=O)C1 ZINC000989382960 656149441 /nfs/dbraw/zinc/14/94/41/656149441.db2.gz HUFVMQUXSAODRB-RKDXNWHRSA-N 1 2 295.347 -1.182 20 0 CAADLO CNC(=O)C[N@@H+]1CCCN(C(=O)Cc2nnc[nH]2)CC1 ZINC000989439362 656149504 /nfs/dbraw/zinc/14/95/04/656149504.db2.gz NGCNVFKNANTASO-UHFFFAOYSA-N 1 2 280.332 -1.373 20 0 CAADLO CNC(=O)C[N@H+]1CCCN(C(=O)Cc2nnc[nH]2)CC1 ZINC000989439362 656149506 /nfs/dbraw/zinc/14/95/06/656149506.db2.gz NGCNVFKNANTASO-UHFFFAOYSA-N 1 2 280.332 -1.373 20 0 CAADLO C[C@@H]1C[C@@H]([NH2+]Cc2cnon2)CN1C(=O)C(N)=O ZINC000989398845 656149613 /nfs/dbraw/zinc/14/96/13/656149613.db2.gz QCGCUXDAIQXTEL-RNFRBKRXSA-N 1 2 253.262 -1.366 20 0 CAADLO Cc1nonc1C[NH2+][C@@H]1C[C@@H](C)N(C(=O)C(N)=O)C1 ZINC000989387192 656149633 /nfs/dbraw/zinc/14/96/33/656149633.db2.gz XAWLMTUDJYVIRV-HTRCEHHLSA-N 1 2 267.289 -1.058 20 0 CAADLO CCn1nncc1C(=O)N[C@@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001014368424 656149712 /nfs/dbraw/zinc/14/97/12/656149712.db2.gz IBMMERRODQOHEG-NXEZZACHSA-N 1 2 292.343 -1.009 20 0 CAADLO CCn1nncc1C(=O)N[C@@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001014368424 656149713 /nfs/dbraw/zinc/14/97/13/656149713.db2.gz IBMMERRODQOHEG-NXEZZACHSA-N 1 2 292.343 -1.009 20 0 CAADLO CCn1ncnc1C[NH2+][C@H]1C[C@H](C)N(C(=O)C(N)=O)C1 ZINC000989382829 656149746 /nfs/dbraw/zinc/14/97/46/656149746.db2.gz HGAMSISCDFYHRE-IUCAKERBSA-N 1 2 280.332 -1.138 20 0 CAADLO O=C(Cc1ncn[nH]1)N1CCC[N@@H+](CCO)CC1 ZINC000989452275 656149982 /nfs/dbraw/zinc/14/99/82/656149982.db2.gz VPJJNVGUMZYPHW-UHFFFAOYSA-N 1 2 253.306 -1.126 20 0 CAADLO O=C(Cc1ncn[nH]1)N1CCC[N@H+](CCO)CC1 ZINC000989452275 656149983 /nfs/dbraw/zinc/14/99/83/656149983.db2.gz VPJJNVGUMZYPHW-UHFFFAOYSA-N 1 2 253.306 -1.126 20 0 CAADLO NC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2CCC(=O)N2)CC1 ZINC000989516989 656150060 /nfs/dbraw/zinc/15/00/60/656150060.db2.gz QVTUWWHIXRZUPH-VIFPVBQESA-N 1 2 268.317 -1.715 20 0 CAADLO NC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2CCC(=O)N2)CC1 ZINC000989516989 656150062 /nfs/dbraw/zinc/15/00/62/656150062.db2.gz QVTUWWHIXRZUPH-VIFPVBQESA-N 1 2 268.317 -1.715 20 0 CAADLO C[C@@H]1[C@@H](NC(=O)C(N)=O)CCN1C(=O)Cc1c[nH+]cn1C ZINC000989589513 656150629 /nfs/dbraw/zinc/15/06/29/656150629.db2.gz FNULZUUZBWPKAX-SCZZXKLOSA-N 1 2 293.327 -1.447 20 0 CAADLO CC(=O)N1CC[C@H](C(=O)N2CCC[N@H+](CC(N)=O)CC2)C1 ZINC000989572874 656150679 /nfs/dbraw/zinc/15/06/79/656150679.db2.gz ONDSTRJSVPAKJD-LBPRGKRZSA-N 1 2 296.371 -1.126 20 0 CAADLO CC(=O)N1CC[C@H](C(=O)N2CCC[N@@H+](CC(N)=O)CC2)C1 ZINC000989572874 656150680 /nfs/dbraw/zinc/15/06/80/656150680.db2.gz ONDSTRJSVPAKJD-LBPRGKRZSA-N 1 2 296.371 -1.126 20 0 CAADLO C[C@H]1C[C@@H]([NH2+]CC(N)=O)CN1C(=O)Cc1ncn[nH]1 ZINC000989656596 656151624 /nfs/dbraw/zinc/15/16/24/656151624.db2.gz HKXCAFSCSAELOH-JGVFFNPUSA-N 1 2 266.305 -1.589 20 0 CAADLO NC(=O)C[N@@H+]1CCCN(C(=O)CN2C(=O)CCC2=O)CC1 ZINC000989633227 656151728 /nfs/dbraw/zinc/15/17/28/656151728.db2.gz XIUXGENTIXDTHW-UHFFFAOYSA-N 1 2 296.327 -1.845 20 0 CAADLO NC(=O)C[N@H+]1CCCN(C(=O)CN2C(=O)CCC2=O)CC1 ZINC000989633227 656151730 /nfs/dbraw/zinc/15/17/30/656151730.db2.gz XIUXGENTIXDTHW-UHFFFAOYSA-N 1 2 296.327 -1.845 20 0 CAADLO C[C@H]1C[C@H]([NH2+]CC(N)=O)CN1C(=O)Cc1ncn[nH]1 ZINC000989656600 656151837 /nfs/dbraw/zinc/15/18/37/656151837.db2.gz HKXCAFSCSAELOH-YUMQZZPRSA-N 1 2 266.305 -1.589 20 0 CAADLO NC(=O)C[N@@H+]1CCCN(C(=O)Cn2cncn2)CC1 ZINC000989619752 656151848 /nfs/dbraw/zinc/15/18/48/656151848.db2.gz OWKLABQWTLPNAI-UHFFFAOYSA-N 1 2 266.305 -1.702 20 0 CAADLO NC(=O)C[N@H+]1CCCN(C(=O)Cn2cncn2)CC1 ZINC000989619752 656151851 /nfs/dbraw/zinc/15/18/51/656151851.db2.gz OWKLABQWTLPNAI-UHFFFAOYSA-N 1 2 266.305 -1.702 20 0 CAADLO Cn1ccc(C[N@@H+]2CC[C@@H](NC(=O)Cn3ncnn3)C2)n1 ZINC001014425038 656151969 /nfs/dbraw/zinc/15/19/69/656151969.db2.gz COWGQFBHAPONQY-SNVBAGLBSA-N 1 2 290.331 -1.203 20 0 CAADLO Cn1ccc(C[N@H+]2CC[C@@H](NC(=O)Cn3ncnn3)C2)n1 ZINC001014425038 656151970 /nfs/dbraw/zinc/15/19/70/656151970.db2.gz COWGQFBHAPONQY-SNVBAGLBSA-N 1 2 290.331 -1.203 20 0 CAADLO C[C@@H](C(=O)N1CCC[N@H+](CC(N)=O)CC1)N1CCOCC1 ZINC000989811257 656153059 /nfs/dbraw/zinc/15/30/59/656153059.db2.gz LDLVJHGNPOICLQ-LBPRGKRZSA-N 1 2 298.387 -1.273 20 0 CAADLO C[C@@H](C(=O)N1CCC[N@@H+](CC(N)=O)CC1)N1CCOCC1 ZINC000989811257 656153061 /nfs/dbraw/zinc/15/30/61/656153061.db2.gz LDLVJHGNPOICLQ-LBPRGKRZSA-N 1 2 298.387 -1.273 20 0 CAADLO Cn1cc(CCC(=O)N2CCC[N@H+](CC(N)=O)CC2)nn1 ZINC000989804850 656153102 /nfs/dbraw/zinc/15/31/02/656153102.db2.gz RTVPLQMSIQYAIW-UHFFFAOYSA-N 1 2 294.359 -1.233 20 0 CAADLO Cn1cc(CCC(=O)N2CCC[N@@H+](CC(N)=O)CC2)nn1 ZINC000989804850 656153104 /nfs/dbraw/zinc/15/31/04/656153104.db2.gz RTVPLQMSIQYAIW-UHFFFAOYSA-N 1 2 294.359 -1.233 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H]2C[C@@H](C)CC(=O)N2)C1 ZINC001014461321 656153283 /nfs/dbraw/zinc/15/32/83/656153283.db2.gz MJASVQFFGXNWSA-OUAUKWLOSA-N 1 2 296.371 -1.162 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@H]2C[C@@H](C)CC(=O)N2)C1 ZINC001014461321 656153284 /nfs/dbraw/zinc/15/32/84/656153284.db2.gz MJASVQFFGXNWSA-OUAUKWLOSA-N 1 2 296.371 -1.162 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2C[C@@H](C)CC(=O)N2)C1 ZINC001014461313 656153321 /nfs/dbraw/zinc/15/33/21/656153321.db2.gz MJASVQFFGXNWSA-GMTAPVOTSA-N 1 2 296.371 -1.162 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@H]2C[C@@H](C)CC(=O)N2)C1 ZINC001014461313 656153324 /nfs/dbraw/zinc/15/33/24/656153324.db2.gz MJASVQFFGXNWSA-GMTAPVOTSA-N 1 2 296.371 -1.162 20 0 CAADLO O=C(Cn1cnnn1)NC1CN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000990183657 656155801 /nfs/dbraw/zinc/15/58/01/656155801.db2.gz WRZWZDRZFSFPCJ-UHFFFAOYSA-N 1 2 290.287 -2.034 20 0 CAADLO O=C(Cn1cnnn1)NC1CN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000990191593 656156596 /nfs/dbraw/zinc/15/65/96/656156596.db2.gz RVTFRCQXYNVBBD-UHFFFAOYSA-N 1 2 290.287 -2.034 20 0 CAADLO O=C(Cc1[nH]cc[nH+]1)N1CC(NC(=O)[C@@H]2COCCO2)C1 ZINC000990281745 656157358 /nfs/dbraw/zinc/15/73/58/656157358.db2.gz IXSMKXOWYLQLDN-JTQLQIEISA-N 1 2 294.311 -1.305 20 0 CAADLO O=C(Cc1c[nH+]c[nH]1)N1CC(NC(=O)[C@@H]2COCCO2)C1 ZINC000990297490 656158292 /nfs/dbraw/zinc/15/82/92/656158292.db2.gz GDHBFQMOZBAOMC-NSHDSACASA-N 1 2 294.311 -1.305 20 0 CAADLO O=C(Cc1c[nH+]c[nH]1)N1CC(NC(=O)[C@H]2CCC(=O)N2)C1 ZINC000990492352 656161023 /nfs/dbraw/zinc/16/10/23/656161023.db2.gz IFRVWRQCFXRMTL-SNVBAGLBSA-N 1 2 291.311 -1.442 20 0 CAADLO O=C(Cc1[nH]cc[nH+]1)N1CC(NC(=O)[C@H]2CCC(=O)N2)C1 ZINC000990485062 656161325 /nfs/dbraw/zinc/16/13/25/656161325.db2.gz MMVHETRBHTWLAM-SECBINFHSA-N 1 2 291.311 -1.442 20 0 CAADLO C[N@@H+]1CCO[C@@H](C(=O)NC2CN(C(=O)c3cc[nH]n3)C2)C1 ZINC000990618083 656162873 /nfs/dbraw/zinc/16/28/73/656162873.db2.gz RFELTRBBOHRGJP-LLVKDONJSA-N 1 2 293.327 -1.319 20 0 CAADLO C[N@H+]1CCO[C@@H](C(=O)NC2CN(C(=O)c3cc[nH]n3)C2)C1 ZINC000990618083 656162874 /nfs/dbraw/zinc/16/28/74/656162874.db2.gz RFELTRBBOHRGJP-LLVKDONJSA-N 1 2 293.327 -1.319 20 0 CAADLO C[N@@H+]1CCO[C@@H](C(=O)NC2CN(C(=O)c3ccn[nH]3)C2)C1 ZINC000990618083 656162876 /nfs/dbraw/zinc/16/28/76/656162876.db2.gz RFELTRBBOHRGJP-LLVKDONJSA-N 1 2 293.327 -1.319 20 0 CAADLO C[N@H+]1CCO[C@@H](C(=O)NC2CN(C(=O)c3ccn[nH]3)C2)C1 ZINC000990618083 656162878 /nfs/dbraw/zinc/16/28/78/656162878.db2.gz RFELTRBBOHRGJP-LLVKDONJSA-N 1 2 293.327 -1.319 20 0 CAADLO C[N@@H+]1CCO[C@H](C(=O)NC2CN(C(=O)c3cc[nH]n3)C2)C1 ZINC000990618084 656162950 /nfs/dbraw/zinc/16/29/50/656162950.db2.gz RFELTRBBOHRGJP-NSHDSACASA-N 1 2 293.327 -1.319 20 0 CAADLO C[N@H+]1CCO[C@H](C(=O)NC2CN(C(=O)c3cc[nH]n3)C2)C1 ZINC000990618084 656162953 /nfs/dbraw/zinc/16/29/53/656162953.db2.gz RFELTRBBOHRGJP-NSHDSACASA-N 1 2 293.327 -1.319 20 0 CAADLO C[N@@H+]1CCO[C@H](C(=O)NC2CN(C(=O)c3ccn[nH]3)C2)C1 ZINC000990618084 656162956 /nfs/dbraw/zinc/16/29/56/656162956.db2.gz RFELTRBBOHRGJP-NSHDSACASA-N 1 2 293.327 -1.319 20 0 CAADLO C[N@H+]1CCO[C@H](C(=O)NC2CN(C(=O)c3ccn[nH]3)C2)C1 ZINC000990618084 656162959 /nfs/dbraw/zinc/16/29/59/656162959.db2.gz RFELTRBBOHRGJP-NSHDSACASA-N 1 2 293.327 -1.319 20 0 CAADLO C[C@@H](C(=O)N[C@@H]1CC[N@H+](CC(N)=O)C1)N1C(=O)CCC1=O ZINC001014628882 656163595 /nfs/dbraw/zinc/16/35/95/656163595.db2.gz QLSRIFBKENSSLV-DTWKUNHWSA-N 1 2 296.327 -1.800 20 0 CAADLO C[C@@H](C(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C1)N1C(=O)CCC1=O ZINC001014628882 656163596 /nfs/dbraw/zinc/16/35/96/656163596.db2.gz QLSRIFBKENSSLV-DTWKUNHWSA-N 1 2 296.327 -1.800 20 0 CAADLO C[C@@H](C(=O)N[C@H]1CC[N@H+](CC(N)=O)C1)N1C(=O)CCC1=O ZINC001014628937 656163626 /nfs/dbraw/zinc/16/36/26/656163626.db2.gz QLSRIFBKENSSLV-IUCAKERBSA-N 1 2 296.327 -1.800 20 0 CAADLO C[C@@H](C(=O)N[C@H]1CC[N@@H+](CC(N)=O)C1)N1C(=O)CCC1=O ZINC001014628937 656163627 /nfs/dbraw/zinc/16/36/27/656163627.db2.gz QLSRIFBKENSSLV-IUCAKERBSA-N 1 2 296.327 -1.800 20 0 CAADLO COC(=O)[C@H](CO)NC(=O)/C=C(/C)C[NH+]1CCOCC1 ZINC000900100698 656164744 /nfs/dbraw/zinc/16/47/44/656164744.db2.gz IALXIQUHKSABAV-BRNRAETOSA-N 1 2 286.328 -1.085 20 0 CAADLO COC(=O)[C@@H](CO)NC(=O)/C=C(/C)C[NH+]1CCOCC1 ZINC000900100701 656164765 /nfs/dbraw/zinc/16/47/65/656164765.db2.gz IALXIQUHKSABAV-ZJRUKIMVSA-N 1 2 286.328 -1.085 20 0 CAADLO COC(=O)[C@H](CO)NC(=O)/C=C(\C)C[NH+]1CCOCC1 ZINC000900100699 656165039 /nfs/dbraw/zinc/16/50/39/656165039.db2.gz IALXIQUHKSABAV-HUYFXPKMSA-N 1 2 286.328 -1.085 20 0 CAADLO CN1CCO[C@H](C(=O)NCCn2cc[nH+]c2)C1=O ZINC000900193964 656165605 /nfs/dbraw/zinc/16/56/05/656165605.db2.gz WBNBYGCLUVCWSC-SECBINFHSA-N 1 2 252.274 -1.144 20 0 CAADLO CS(=O)(=O)N1CC(C(=O)NCCn2cc[nH+]c2)C1 ZINC000900193530 656165780 /nfs/dbraw/zinc/16/57/80/656165780.db2.gz MRWHZJAPVLLSIM-UHFFFAOYSA-N 1 2 272.330 -1.109 20 0 CAADLO C[C@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1C[C@@H]1C(N)=O ZINC000900209684 656166011 /nfs/dbraw/zinc/16/60/11/656166011.db2.gz UNOKTTOOZFDKQY-KXUCPTDWSA-N 1 2 255.318 -1.055 20 0 CAADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)CN1CCNC(=O)C1 ZINC000900209391 656166081 /nfs/dbraw/zinc/16/60/81/656166081.db2.gz RBUDZSVXQMUMKJ-NSHDSACASA-N 1 2 284.360 -1.745 20 0 CAADLO C[C@H](Cn1cc[nH+]c1)NC(=O)CN1CCNC(=O)C1 ZINC000900216945 656166122 /nfs/dbraw/zinc/16/61/22/656166122.db2.gz ZVLAQTWQJNHWTF-SNVBAGLBSA-N 1 2 265.317 -1.180 20 0 CAADLO C[N@@H+]1CCO[C@@H](CNC(=O)C2CN(S(C)(=O)=O)C2)C1 ZINC000900439106 656167273 /nfs/dbraw/zinc/16/72/73/656167273.db2.gz PHSNCACZORZONE-JTQLQIEISA-N 1 2 291.373 -1.675 20 0 CAADLO C[N@H+]1CCO[C@@H](CNC(=O)C2CN(S(C)(=O)=O)C2)C1 ZINC000900439106 656167274 /nfs/dbraw/zinc/16/72/74/656167274.db2.gz PHSNCACZORZONE-JTQLQIEISA-N 1 2 291.373 -1.675 20 0 CAADLO C[C@H]1C[N@H+](CCNC(=O)[C@@H]2OCCN(C)C2=O)CCO1 ZINC000900487910 656167793 /nfs/dbraw/zinc/16/77/93/656167793.db2.gz ZAGMYZMJVQLJQW-QWRGUYRKSA-N 1 2 285.344 -1.320 20 0 CAADLO C[C@H]1C[N@@H+](CCNC(=O)[C@@H]2OCCN(C)C2=O)CCO1 ZINC000900487910 656167794 /nfs/dbraw/zinc/16/77/94/656167794.db2.gz ZAGMYZMJVQLJQW-QWRGUYRKSA-N 1 2 285.344 -1.320 20 0 CAADLO CN1CCC[C@H](C(=O)N2CCC[N@H+](CC(N)=O)CC2)C1=O ZINC000900566305 656168776 /nfs/dbraw/zinc/16/87/76/656168776.db2.gz QMIHIZIBKNNKKF-NSHDSACASA-N 1 2 296.371 -1.126 20 0 CAADLO CN1CCC[C@H](C(=O)N2CCC[N@@H+](CC(N)=O)CC2)C1=O ZINC000900566305 656168779 /nfs/dbraw/zinc/16/87/79/656168779.db2.gz QMIHIZIBKNNKKF-NSHDSACASA-N 1 2 296.371 -1.126 20 0 CAADLO C[C@@H](NC(=O)CN1CCNC(=O)C1)[C@@H](C)[NH+]1CCOCC1 ZINC000900594709 656168881 /nfs/dbraw/zinc/16/88/81/656168881.db2.gz RYIPEQFKPVVPLT-VXGBXAGGSA-N 1 2 298.387 -1.356 20 0 CAADLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)[C@@H]1C[C@@H]1C(N)=O ZINC000900614135 656169840 /nfs/dbraw/zinc/16/98/40/656169840.db2.gz NLEPNWFGUKGKTL-OUAUKWLOSA-N 1 2 268.361 -1.140 20 0 CAADLO C[C@H](CNC(=O)CN1CCNC(=O)C1)[NH+]1CCN(C)CC1 ZINC000900696188 656170382 /nfs/dbraw/zinc/17/03/82/656170382.db2.gz RLKLTWSWFMPRGH-GFCCVEGCSA-N 1 2 297.403 -1.830 20 0 CAADLO COCC[NH+]1CCN(C(=O)[C@@H]2OCCN(C)C2=O)CC1 ZINC000900684869 656170946 /nfs/dbraw/zinc/17/09/46/656170946.db2.gz WZDYZTFNTYTDLB-LLVKDONJSA-N 1 2 285.344 -1.366 20 0 CAADLO CC(C)(O)[C@@H](O)C(=O)N1CC[NH+](CCn2cncn2)CC1 ZINC000900796606 656171257 /nfs/dbraw/zinc/17/12/57/656171257.db2.gz NEPJTZQANBKSLF-NSHDSACASA-N 1 2 297.359 -1.446 20 0 CAADLO C[C@H](NC(=O)[C@@H]1CN(C)C(=O)N1)[C@@H]1CN(C)CC[N@@H+]1C ZINC000900801175 656172099 /nfs/dbraw/zinc/17/20/99/656172099.db2.gz BNMJOOOWHNZDFJ-DCAQKATOSA-N 1 2 283.376 -1.240 20 0 CAADLO C[C@H](NC(=O)[C@@H]1CN(C)C(=O)N1)[C@@H]1CN(C)CC[N@H+]1C ZINC000900801175 656172102 /nfs/dbraw/zinc/17/21/02/656172102.db2.gz BNMJOOOWHNZDFJ-DCAQKATOSA-N 1 2 283.376 -1.240 20 0 CAADLO NC(=O)[C@@H]1C[C@@H]1C(=O)N1CC[NH+](CCn2cncn2)CC1 ZINC000900798449 656172349 /nfs/dbraw/zinc/17/23/49/656172349.db2.gz NGOJBJQDEYCSGL-MNOVXSKESA-N 1 2 292.343 -1.456 20 0 CAADLO C[C@H](NC(=O)[C@H]1CN(C)C(=O)N1)[C@@H]1CN(C)CC[N@@H+]1C ZINC000900801174 656172401 /nfs/dbraw/zinc/17/24/01/656172401.db2.gz BNMJOOOWHNZDFJ-AXFHLTTASA-N 1 2 283.376 -1.240 20 0 CAADLO C[C@H](NC(=O)[C@H]1CN(C)C(=O)N1)[C@@H]1CN(C)CC[N@H+]1C ZINC000900801174 656172404 /nfs/dbraw/zinc/17/24/04/656172404.db2.gz BNMJOOOWHNZDFJ-AXFHLTTASA-N 1 2 283.376 -1.240 20 0 CAADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)[C@H](O)C(C)(C)O ZINC000900981467 656173784 /nfs/dbraw/zinc/17/37/84/656173784.db2.gz BFEFUVGVQMQYDY-MNOVXSKESA-N 1 2 290.360 -1.730 20 0 CAADLO O=C(CN1CCNC(=O)C1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000901036012 656174884 /nfs/dbraw/zinc/17/48/84/656174884.db2.gz PJELDFNOOUQRGK-LBPRGKRZSA-N 1 2 296.371 -1.649 20 0 CAADLO CN1CCO[C@H](C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)C1=O ZINC000901035568 656175087 /nfs/dbraw/zinc/17/50/87/656175087.db2.gz OMMHYOFIHCRBMZ-RYUDHWBXSA-N 1 2 297.355 -1.223 20 0 CAADLO O=C(CNC(=O)N1CCCC1)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000901163977 656178291 /nfs/dbraw/zinc/17/82/91/656178291.db2.gz JKWGRZWZZVBHHH-GFCCVEGCSA-N 1 2 295.387 -1.092 20 0 CAADLO COC[C@@H](NC(=O)/C=C(/C)C[NH+]1CCOCC1)C(N)=O ZINC000901234153 656178949 /nfs/dbraw/zinc/17/89/49/656178949.db2.gz MQCVHZFTMPZXSR-ZJRUKIMVSA-N 1 2 285.344 -1.119 20 0 CAADLO COC(=O)[C@@H](O)CNC(=O)/C=C(\C)C[NH+]1CCOCC1 ZINC000901254852 656179361 /nfs/dbraw/zinc/17/93/61/656179361.db2.gz HSVVFYULRBINRC-HUYFXPKMSA-N 1 2 286.328 -1.085 20 0 CAADLO C/C(=C\C(=O)NC(CO)CO)C[NH+]1CCOCC1 ZINC000901280223 656179380 /nfs/dbraw/zinc/17/93/80/656179380.db2.gz WXKQYFKXIDYHGU-UXBLZVDNSA-N 1 2 258.318 -1.266 20 0 CAADLO C/C(=C/C(=O)NC(CO)CO)C[NH+]1CCOCC1 ZINC000901280222 656179627 /nfs/dbraw/zinc/17/96/27/656179627.db2.gz WXKQYFKXIDYHGU-POHAHGRESA-N 1 2 258.318 -1.266 20 0 CAADLO C/C(=C/C(=O)NOCC(N)=O)C[NH+]1CCOCC1 ZINC000901319093 656179941 /nfs/dbraw/zinc/17/99/41/656179941.db2.gz UWRCSQUFQYPNNB-TWGQIWQCSA-N 1 2 257.290 -1.202 20 0 CAADLO COC(=O)CC[N@@H+]1CCN(C(=O)c2nnn(C)n2)C[C@@H]1C ZINC000901318834 656180345 /nfs/dbraw/zinc/18/03/45/656180345.db2.gz PTJWRLIXOJGUHN-VIFPVBQESA-N 1 2 296.331 -1.081 20 0 CAADLO COC(=O)CC[N@H+]1CCN(C(=O)c2nnn(C)n2)C[C@@H]1C ZINC000901318834 656180349 /nfs/dbraw/zinc/18/03/49/656180349.db2.gz PTJWRLIXOJGUHN-VIFPVBQESA-N 1 2 296.331 -1.081 20 0 CAADLO O=C(NCC[N@@H+]1CCC2(C1)OCCO2)C(=O)NC1CC1 ZINC000902804414 656184143 /nfs/dbraw/zinc/18/41/43/656184143.db2.gz QKCZUVCELKNDPJ-UHFFFAOYSA-N 1 2 283.328 -1.170 20 0 CAADLO O=C(NCC[N@H+]1CCC2(C1)OCCO2)C(=O)NC1CC1 ZINC000902804414 656184145 /nfs/dbraw/zinc/18/41/45/656184145.db2.gz QKCZUVCELKNDPJ-UHFFFAOYSA-N 1 2 283.328 -1.170 20 0 CAADLO NOCCCNS(=O)(=O)CCC[NH+]1CCOCC1 ZINC000903526059 656185298 /nfs/dbraw/zinc/18/52/98/656185298.db2.gz BGGLLLQXVJCWCA-UHFFFAOYSA-N 1 2 281.378 -1.092 20 0 CAADLO CN1CCOC[C@]1(CO)CNC(=O)NCCn1cc[nH+]c1 ZINC000905151482 656189992 /nfs/dbraw/zinc/18/99/92/656189992.db2.gz RNPUMHIPHHRKTF-CYBMUJFWSA-N 1 2 297.359 -1.125 20 0 CAADLO OC[C@H](C[NH+]1CCCC1)NC[C@H](O)C1(O)CCOCC1 ZINC000905377720 656191327 /nfs/dbraw/zinc/19/13/27/656191327.db2.gz ZLCVYZGTVLRAMW-STQMWFEESA-N 1 2 288.388 -1.065 20 0 CAADLO CN(CC[NH+]1CCOCC1)C(=O)CCNC(=O)CO ZINC000906520916 656193181 /nfs/dbraw/zinc/19/31/81/656193181.db2.gz LMGZNHMCUXBOIX-UHFFFAOYSA-N 1 2 273.333 -1.724 20 0 CAADLO COC(=O)CC(=O)N1CC[NH+](CCn2cncn2)CC1 ZINC000906774966 656194887 /nfs/dbraw/zinc/19/48/87/656194887.db2.gz KOSIHXCNVWUXPW-UHFFFAOYSA-N 1 2 281.316 -1.015 20 0 CAADLO Cc1nn(CC(=O)NC[C@@H]2CN3CC[N@@H+]2CCC3)c(=O)o1 ZINC000908027738 656205039 /nfs/dbraw/zinc/20/50/39/656205039.db2.gz IQZVTWGSXOVFGE-LLVKDONJSA-N 1 2 295.343 -1.349 20 0 CAADLO Cc1nn(CC(=O)NC[C@@H]2CN3CC[N@H+]2CCC3)c(=O)o1 ZINC000908027738 656205044 /nfs/dbraw/zinc/20/50/44/656205044.db2.gz IQZVTWGSXOVFGE-LLVKDONJSA-N 1 2 295.343 -1.349 20 0 CAADLO Cc1nn(CC(=O)NC[C@H]2CN3CC[N@@H+]2CCC3)c(=O)o1 ZINC000908027744 656205576 /nfs/dbraw/zinc/20/55/76/656205576.db2.gz IQZVTWGSXOVFGE-NSHDSACASA-N 1 2 295.343 -1.349 20 0 CAADLO Cc1nn(CC(=O)NC[C@H]2CN3CC[N@H+]2CCC3)c(=O)o1 ZINC000908027744 656205581 /nfs/dbraw/zinc/20/55/81/656205581.db2.gz IQZVTWGSXOVFGE-NSHDSACASA-N 1 2 295.343 -1.349 20 0 CAADLO O=C(Cn1cc[nH+]c1)N1CC(NC(=O)[C@H]2COC(=O)N2)C1 ZINC000991122304 656209714 /nfs/dbraw/zinc/20/97/14/656209714.db2.gz WMJVJBWSSTUQPU-SECBINFHSA-N 1 2 293.283 -1.682 20 0 CAADLO C[NH+](C)C[C@H](CO)NC(=O)[C@]1(C)CCCS1(=O)=O ZINC000908203122 656211325 /nfs/dbraw/zinc/21/13/25/656211325.db2.gz ZICXPTMKCNOCNQ-KOLCDFICSA-N 1 2 278.374 -1.008 20 0 CAADLO CC(=O)N[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C[C@H]1O ZINC000991154691 656216242 /nfs/dbraw/zinc/21/62/42/656216242.db2.gz WIDNJDVBYVLYAX-GHMZBOCLSA-N 1 2 266.301 -1.019 20 0 CAADLO O=C(CN1CCNC(=O)C1)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000908759350 656216264 /nfs/dbraw/zinc/21/62/64/656216264.db2.gz FNCYIPHARAMJGF-SECBINFHSA-N 1 2 263.301 -1.644 20 0 CAADLO CN1CCO[C@@H](C(=O)N[C@@H]2Cc3c[nH+]cn3C2)C1=O ZINC000908757831 656216373 /nfs/dbraw/zinc/21/63/73/656216373.db2.gz CWPJMMPQBHJNIL-SCZZXKLOSA-N 1 2 264.285 -1.219 20 0 CAADLO CC(=O)N[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C[C@@H]1O ZINC000991154694 656216568 /nfs/dbraw/zinc/21/65/68/656216568.db2.gz WIDNJDVBYVLYAX-QWRGUYRKSA-N 1 2 266.301 -1.019 20 0 CAADLO O=C(CN1CCNC(=O)C1)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000909028826 656217796 /nfs/dbraw/zinc/21/77/96/656217796.db2.gz XVZQKXRRMRDXOX-TXEJJXNPSA-N 1 2 296.371 -1.602 20 0 CAADLO O=C(CN1CCNC(=O)C1)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000909028826 656217799 /nfs/dbraw/zinc/21/77/99/656217799.db2.gz XVZQKXRRMRDXOX-TXEJJXNPSA-N 1 2 296.371 -1.602 20 0 CAADLO Cn1cnc(C(=O)NC2CN(C(=O)Cc3[nH]cc[nH+]3)C2)n1 ZINC000991170039 656218584 /nfs/dbraw/zinc/21/85/84/656218584.db2.gz CAPDGUQJODFWOS-UHFFFAOYSA-N 1 2 289.299 -1.279 20 0 CAADLO Cn1cnc(C(=O)NC2CN(C(=O)Cc3c[nH+]c[nH]3)C2)n1 ZINC000991187289 656219827 /nfs/dbraw/zinc/21/98/27/656219827.db2.gz OTYDDLQKECXRQQ-UHFFFAOYSA-N 1 2 289.299 -1.279 20 0 CAADLO Cn1c[nH+]c(CCNC(=O)[C@@H]2OCCN(C)C2=O)c1 ZINC000909855490 656220106 /nfs/dbraw/zinc/22/01/06/656220106.db2.gz FYLGMFIVCZWKEN-JTQLQIEISA-N 1 2 266.301 -1.064 20 0 CAADLO NS(=O)(=O)C1CN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC000910531122 656225542 /nfs/dbraw/zinc/22/55/42/656225542.db2.gz OUNJVCOAYJLKEO-QMMMGPOBSA-N 1 2 284.341 -1.055 20 0 CAADLO C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)N1CC2(C1)CS(=O)(=O)C2 ZINC000910710320 656227251 /nfs/dbraw/zinc/22/72/51/656227251.db2.gz LHCIBLKUKVSAQW-MWLCHTKSSA-N 1 2 288.369 -1.302 20 0 CAADLO C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)N1CC2(C1)CS(=O)(=O)C2 ZINC000910710320 656227254 /nfs/dbraw/zinc/22/72/54/656227254.db2.gz LHCIBLKUKVSAQW-MWLCHTKSSA-N 1 2 288.369 -1.302 20 0 CAADLO O=C(NCCCn1cc[nH+]c1)C(=O)N[C@@H]1CNOC1 ZINC000911246154 656238948 /nfs/dbraw/zinc/23/89/48/656238948.db2.gz FIOZKGVVBJGCKE-SECBINFHSA-N 1 2 267.289 -1.591 20 0 CAADLO C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)N[C@@H]1CNOC1 ZINC000911229720 656239100 /nfs/dbraw/zinc/23/91/00/656239100.db2.gz MJOJCQPWNGRBGF-RKDXNWHRSA-N 1 2 267.289 -1.593 20 0 CAADLO COCC[NH+]1CCN(C(=O)C(=O)N[C@H]2CNOC2)CC1 ZINC000911467391 656244799 /nfs/dbraw/zinc/24/47/99/656244799.db2.gz LKKAHVCUXCNYQZ-JTQLQIEISA-N 1 2 286.332 -2.203 20 0 CAADLO COCC[NH+]1CCN(C(=O)C(=O)NCCCON)CC1 ZINC000911514507 656249967 /nfs/dbraw/zinc/24/99/67/656249967.db2.gz VZMYQUOZAYKDRY-UHFFFAOYSA-N 1 2 288.348 -1.826 20 0 CAADLO C[C@@H](C(=O)NC1(CS(C)(=O)=O)COC1)[NH+](C)C ZINC000912260795 656258464 /nfs/dbraw/zinc/25/84/64/656258464.db2.gz ULTDTYBVBZMUKE-QMMMGPOBSA-N 1 2 264.347 -1.134 20 0 CAADLO C[N@@H+]1CCO[C@H](C(=O)N2[C@@H](CO)CC[C@@H]2CO)C1 ZINC000912232382 656258490 /nfs/dbraw/zinc/25/84/90/656258490.db2.gz WNBJMMLEADBLMN-MXWKQRLJSA-N 1 2 258.318 -1.339 20 0 CAADLO C[N@H+]1CCO[C@H](C(=O)N2[C@@H](CO)CC[C@@H]2CO)C1 ZINC000912232382 656258495 /nfs/dbraw/zinc/25/84/95/656258495.db2.gz WNBJMMLEADBLMN-MXWKQRLJSA-N 1 2 258.318 -1.339 20 0 CAADLO C[C@H]1C[N@H+](CCNC(=O)CN2CCNC(=O)C2)[C@@H](C)CO1 ZINC000912387318 656259676 /nfs/dbraw/zinc/25/96/76/656259676.db2.gz BKMRSHKXHAKPFX-RYUDHWBXSA-N 1 2 298.387 -1.356 20 0 CAADLO C[C@H]1C[N@@H+](CCNC(=O)CN2CCNC(=O)C2)[C@@H](C)CO1 ZINC000912387318 656259680 /nfs/dbraw/zinc/25/96/80/656259680.db2.gz BKMRSHKXHAKPFX-RYUDHWBXSA-N 1 2 298.387 -1.356 20 0 CAADLO CN1C(=O)CN=C1NC(=O)/C=C\C[NH+]1CCOCC1 ZINC000912497871 656261111 /nfs/dbraw/zinc/26/11/11/656261111.db2.gz KCPYXTPUEUCFFE-IHWYPQMZSA-N 1 2 266.301 -1.181 20 0 CAADLO CN(C)[C@H](C(=O)NC1=NCC(=O)N1C)c1c[nH+]cn1C ZINC000912498296 656261390 /nfs/dbraw/zinc/26/13/90/656261390.db2.gz OCHJTDLLKCVBOO-JTQLQIEISA-N 1 2 278.316 -1.033 20 0 CAADLO CN(CC[N@H+](C)CCO)C(=O)CS(=O)(=O)C1CC1 ZINC000912599353 656261561 /nfs/dbraw/zinc/26/15/61/656261561.db2.gz ODFCMPRKSJJJRO-UHFFFAOYSA-N 1 2 278.374 -1.054 20 0 CAADLO CN(CC[N@@H+](C)CCO)C(=O)CS(=O)(=O)C1CC1 ZINC000912599353 656261566 /nfs/dbraw/zinc/26/15/66/656261566.db2.gz ODFCMPRKSJJJRO-UHFFFAOYSA-N 1 2 278.374 -1.054 20 0 CAADLO CN(C(=O)C1CN(C)CC[N@H+](C)C1)c1nn[nH]n1 ZINC000912618093 656262184 /nfs/dbraw/zinc/26/21/84/656262184.db2.gz NGGXVZXNCCRJFA-UHFFFAOYSA-N 1 2 253.310 -1.344 20 0 CAADLO CN(C(=O)C1CN(C)CC[N@@H+](C)C1)c1nn[nH]n1 ZINC000912618093 656262189 /nfs/dbraw/zinc/26/21/89/656262189.db2.gz NGGXVZXNCCRJFA-UHFFFAOYSA-N 1 2 253.310 -1.344 20 0 CAADLO CN1C[C@@H](C(=O)N2CC[N@H+](C)C[C@@H]2CO)NC1=O ZINC000912736003 656264243 /nfs/dbraw/zinc/26/42/43/656264243.db2.gz LOIGJCSWEXLOAA-BDAKNGLRSA-N 1 2 256.306 -1.855 20 0 CAADLO CN1C[C@@H](C(=O)N2CC[N@@H+](C)C[C@@H]2CO)NC1=O ZINC000912736003 656264244 /nfs/dbraw/zinc/26/42/44/656264244.db2.gz LOIGJCSWEXLOAA-BDAKNGLRSA-N 1 2 256.306 -1.855 20 0 CAADLO CN1C[C@@H](C(=O)N2CC[N@H+](C)C[C@H]2CO)NC1=O ZINC000912736005 656264736 /nfs/dbraw/zinc/26/47/36/656264736.db2.gz LOIGJCSWEXLOAA-IUCAKERBSA-N 1 2 256.306 -1.855 20 0 CAADLO CN1C[C@@H](C(=O)N2CC[N@@H+](C)C[C@H]2CO)NC1=O ZINC000912736005 656264739 /nfs/dbraw/zinc/26/47/39/656264739.db2.gz LOIGJCSWEXLOAA-IUCAKERBSA-N 1 2 256.306 -1.855 20 0 CAADLO C[N@@H+]1CCN(C(=O)[C@@H]2CCS(=O)(=O)N2)[C@@H](CO)C1 ZINC000912735597 656264998 /nfs/dbraw/zinc/26/49/98/656264998.db2.gz BAAIQISURKFYHX-BDAKNGLRSA-N 1 2 277.346 -2.187 20 0 CAADLO C[N@H+]1CCN(C(=O)[C@@H]2CCS(=O)(=O)N2)[C@@H](CO)C1 ZINC000912735597 656264999 /nfs/dbraw/zinc/26/49/99/656264999.db2.gz BAAIQISURKFYHX-BDAKNGLRSA-N 1 2 277.346 -2.187 20 0 CAADLO C[N@@H+]1CCN(C(=O)[C@H]2CCS(=O)(=O)N2)[C@@H](CO)C1 ZINC000912735600 656265088 /nfs/dbraw/zinc/26/50/88/656265088.db2.gz BAAIQISURKFYHX-RKDXNWHRSA-N 1 2 277.346 -2.187 20 0 CAADLO C[N@H+]1CCN(C(=O)[C@H]2CCS(=O)(=O)N2)[C@@H](CO)C1 ZINC000912735600 656265093 /nfs/dbraw/zinc/26/50/93/656265093.db2.gz BAAIQISURKFYHX-RKDXNWHRSA-N 1 2 277.346 -2.187 20 0 CAADLO C[N@@H+]1CCN(C(=O)C2(NC(N)=O)CC2)[C@@H](CO)C1 ZINC000912741513 656265259 /nfs/dbraw/zinc/26/52/59/656265259.db2.gz WOMAAUPRVHWMBP-MRVPVSSYSA-N 1 2 256.306 -1.678 20 0 CAADLO C[N@H+]1CCN(C(=O)C2(NC(N)=O)CC2)[C@@H](CO)C1 ZINC000912741513 656265261 /nfs/dbraw/zinc/26/52/61/656265261.db2.gz WOMAAUPRVHWMBP-MRVPVSSYSA-N 1 2 256.306 -1.678 20 0 CAADLO CCOC(=O)C[C@@H](O)C(=O)N1CC[N@H+](C)C[C@@H]1CO ZINC000912738889 656265392 /nfs/dbraw/zinc/26/53/92/656265392.db2.gz LFUSGNARHVDNGL-NXEZZACHSA-N 1 2 274.317 -1.565 20 0 CAADLO CCOC(=O)C[C@@H](O)C(=O)N1CC[N@@H+](C)C[C@@H]1CO ZINC000912738889 656265395 /nfs/dbraw/zinc/26/53/95/656265395.db2.gz LFUSGNARHVDNGL-NXEZZACHSA-N 1 2 274.317 -1.565 20 0 CAADLO C[N@@H+]1CCN(C(=O)C2=NN(CCO)C(=O)CC2)[C@@H](CO)C1 ZINC000912741254 656265573 /nfs/dbraw/zinc/26/55/73/656265573.db2.gz QBGOJDKLNBOYSQ-SNVBAGLBSA-N 1 2 298.343 -1.908 20 0 CAADLO C[N@H+]1CCN(C(=O)C2=NN(CCO)C(=O)CC2)[C@@H](CO)C1 ZINC000912741254 656265578 /nfs/dbraw/zinc/26/55/78/656265578.db2.gz QBGOJDKLNBOYSQ-SNVBAGLBSA-N 1 2 298.343 -1.908 20 0 CAADLO C[C@@H]1OC(=O)N[C@H]1C(=O)N1CC[N@H+](C)C[C@@H]1CO ZINC000912739753 656265599 /nfs/dbraw/zinc/26/55/99/656265599.db2.gz GQMJWCVLZBDEAX-DJLDLDEBSA-N 1 2 257.290 -1.382 20 0 CAADLO C[C@@H]1OC(=O)N[C@H]1C(=O)N1CC[N@@H+](C)C[C@@H]1CO ZINC000912739753 656265605 /nfs/dbraw/zinc/26/56/05/656265605.db2.gz GQMJWCVLZBDEAX-DJLDLDEBSA-N 1 2 257.290 -1.382 20 0 CAADLO C[N@@H+]1CCN(C(=O)[C@H]2CCOC(=O)N2)[C@@H](CO)C1 ZINC000912737920 656265678 /nfs/dbraw/zinc/26/56/78/656265678.db2.gz XJBNVIKPXHHKKG-RKDXNWHRSA-N 1 2 257.290 -1.380 20 0 CAADLO C[N@H+]1CCN(C(=O)[C@H]2CCOC(=O)N2)[C@@H](CO)C1 ZINC000912737920 656265679 /nfs/dbraw/zinc/26/56/79/656265679.db2.gz XJBNVIKPXHHKKG-RKDXNWHRSA-N 1 2 257.290 -1.380 20 0 CAADLO C[N@@H+]1CCN(C(=O)C2=NN(CCO)C(=O)CC2)[C@H](CO)C1 ZINC000912741253 656265766 /nfs/dbraw/zinc/26/57/66/656265766.db2.gz QBGOJDKLNBOYSQ-JTQLQIEISA-N 1 2 298.343 -1.908 20 0 CAADLO C[N@H+]1CCN(C(=O)C2=NN(CCO)C(=O)CC2)[C@H](CO)C1 ZINC000912741253 656265769 /nfs/dbraw/zinc/26/57/69/656265769.db2.gz QBGOJDKLNBOYSQ-JTQLQIEISA-N 1 2 298.343 -1.908 20 0 CAADLO C[N@@H+]1CCN(C(=O)[C@@H]2CCOC(=O)N2)[C@@H](CO)C1 ZINC000912737917 656265929 /nfs/dbraw/zinc/26/59/29/656265929.db2.gz XJBNVIKPXHHKKG-BDAKNGLRSA-N 1 2 257.290 -1.380 20 0 CAADLO C[N@H+]1CCN(C(=O)[C@@H]2CCOC(=O)N2)[C@@H](CO)C1 ZINC000912737917 656265931 /nfs/dbraw/zinc/26/59/31/656265931.db2.gz XJBNVIKPXHHKKG-BDAKNGLRSA-N 1 2 257.290 -1.380 20 0 CAADLO C[N@@H+]1CCN(C(=O)C(=O)NCC(F)F)[C@@H](CO)C1 ZINC000912739728 656266127 /nfs/dbraw/zinc/26/61/27/656266127.db2.gz FYKFOURWTSOQQE-SSDOTTSWSA-N 1 2 265.260 -1.497 20 0 CAADLO C[N@H+]1CCN(C(=O)C(=O)NCC(F)F)[C@@H](CO)C1 ZINC000912739728 656266131 /nfs/dbraw/zinc/26/61/31/656266131.db2.gz FYKFOURWTSOQQE-SSDOTTSWSA-N 1 2 265.260 -1.497 20 0 CAADLO Cn1cc(C[C@@H](O)C(=O)N2CC[N@H+](C)C[C@@H]2CO)cn1 ZINC000912740530 656266304 /nfs/dbraw/zinc/26/63/04/656266304.db2.gz YVYLZOHNRRXSSA-VXGBXAGGSA-N 1 2 282.344 -1.542 20 0 CAADLO Cn1cc(C[C@@H](O)C(=O)N2CC[N@@H+](C)C[C@@H]2CO)cn1 ZINC000912740530 656266307 /nfs/dbraw/zinc/26/63/07/656266307.db2.gz YVYLZOHNRRXSSA-VXGBXAGGSA-N 1 2 282.344 -1.542 20 0 CAADLO CCOC(=O)C[C@H](O)C(=O)N1CC[N@H+](C)C[C@@H]1CO ZINC000912738892 656266324 /nfs/dbraw/zinc/26/63/24/656266324.db2.gz LFUSGNARHVDNGL-ZJUUUORDSA-N 1 2 274.317 -1.565 20 0 CAADLO CCOC(=O)C[C@H](O)C(=O)N1CC[N@@H+](C)C[C@@H]1CO ZINC000912738892 656266326 /nfs/dbraw/zinc/26/63/26/656266326.db2.gz LFUSGNARHVDNGL-ZJUUUORDSA-N 1 2 274.317 -1.565 20 0 CAADLO C[N@@H+]1CCN(C(=O)[C@@H](O)C2CCOCC2)[C@@H](CO)C1 ZINC000912744289 656266437 /nfs/dbraw/zinc/26/64/37/656266437.db2.gz SSRGFRYOZDQMRU-NEPJUHHUSA-N 1 2 272.345 -1.091 20 0 CAADLO C[N@H+]1CCN(C(=O)[C@@H](O)C2CCOCC2)[C@@H](CO)C1 ZINC000912744289 656266444 /nfs/dbraw/zinc/26/64/44/656266444.db2.gz SSRGFRYOZDQMRU-NEPJUHHUSA-N 1 2 272.345 -1.091 20 0 CAADLO C[N@@H+]1CCN(C(=O)CSCC(N)=O)[C@H](CO)C1 ZINC000912744180 656266466 /nfs/dbraw/zinc/26/64/66/656266466.db2.gz PZWPJRDTKQSDCB-QMMMGPOBSA-N 1 2 261.347 -1.660 20 0 CAADLO C[N@H+]1CCN(C(=O)CSCC(N)=O)[C@H](CO)C1 ZINC000912744180 656266475 /nfs/dbraw/zinc/26/64/75/656266475.db2.gz PZWPJRDTKQSDCB-QMMMGPOBSA-N 1 2 261.347 -1.660 20 0 CAADLO C[C@H](NS(C)(=O)=O)C(=O)N1CC[N@H+](C)C[C@@H]1CO ZINC000912744060 656266705 /nfs/dbraw/zinc/26/67/05/656266705.db2.gz MJSQQFOCYJUSFM-DTWKUNHWSA-N 1 2 279.362 -1.941 20 0 CAADLO C[C@H](NS(C)(=O)=O)C(=O)N1CC[N@@H+](C)C[C@@H]1CO ZINC000912744060 656266707 /nfs/dbraw/zinc/26/67/07/656266707.db2.gz MJSQQFOCYJUSFM-DTWKUNHWSA-N 1 2 279.362 -1.941 20 0 CAADLO C[N@@H+]1CCN(C(=O)[C@@H](O)C2CCOCC2)[C@H](CO)C1 ZINC000912744291 656267086 /nfs/dbraw/zinc/26/70/86/656267086.db2.gz SSRGFRYOZDQMRU-RYUDHWBXSA-N 1 2 272.345 -1.091 20 0 CAADLO C[N@H+]1CCN(C(=O)[C@@H](O)C2CCOCC2)[C@H](CO)C1 ZINC000912744291 656267089 /nfs/dbraw/zinc/26/70/89/656267089.db2.gz SSRGFRYOZDQMRU-RYUDHWBXSA-N 1 2 272.345 -1.091 20 0 CAADLO C[C@H](NS(C)(=O)=O)C(=O)N1CC[N@H+](C)C[C@H]1CO ZINC000912744061 656267412 /nfs/dbraw/zinc/26/74/12/656267412.db2.gz MJSQQFOCYJUSFM-IUCAKERBSA-N 1 2 279.362 -1.941 20 0 CAADLO C[C@H](NS(C)(=O)=O)C(=O)N1CC[N@@H+](C)C[C@H]1CO ZINC000912744061 656267418 /nfs/dbraw/zinc/26/74/18/656267418.db2.gz MJSQQFOCYJUSFM-IUCAKERBSA-N 1 2 279.362 -1.941 20 0 CAADLO O=C(NCC[N@@H+]1CCC2(C1)OCCO2)[C@H]1CC(=O)N1 ZINC000912897008 656268484 /nfs/dbraw/zinc/26/84/84/656268484.db2.gz JTGKLPNVJPEIPR-SECBINFHSA-N 1 2 269.301 -1.560 20 0 CAADLO O=C(NCC[N@H+]1CCC2(C1)OCCO2)[C@H]1CC(=O)N1 ZINC000912897008 656268489 /nfs/dbraw/zinc/26/84/89/656268489.db2.gz JTGKLPNVJPEIPR-SECBINFHSA-N 1 2 269.301 -1.560 20 0 CAADLO CC(C)(O)[C@H](O)C(=O)NCC[N@@H+]1CCC2(C1)OCCO2 ZINC000912897545 656269071 /nfs/dbraw/zinc/26/90/71/656269071.db2.gz VQAVMIIIXWRYFM-SNVBAGLBSA-N 1 2 288.344 -1.317 20 0 CAADLO CC(C)(O)[C@H](O)C(=O)NCC[N@H+]1CCC2(C1)OCCO2 ZINC000912897545 656269073 /nfs/dbraw/zinc/26/90/73/656269073.db2.gz VQAVMIIIXWRYFM-SNVBAGLBSA-N 1 2 288.344 -1.317 20 0 CAADLO CC(C)(O)[C@@H](O)C(=O)NCC[N@@H+]1CCC2(C1)OCCO2 ZINC000912897544 656269569 /nfs/dbraw/zinc/26/95/69/656269569.db2.gz VQAVMIIIXWRYFM-JTQLQIEISA-N 1 2 288.344 -1.317 20 0 CAADLO CC(C)(O)[C@@H](O)C(=O)NCC[N@H+]1CCC2(C1)OCCO2 ZINC000912897544 656269570 /nfs/dbraw/zinc/26/95/70/656269570.db2.gz VQAVMIIIXWRYFM-JTQLQIEISA-N 1 2 288.344 -1.317 20 0 CAADLO C/C(=C\C(=O)N1CC(O)(C(N)=O)C1)C[NH+]1CCOCC1 ZINC000913071143 656270126 /nfs/dbraw/zinc/27/01/26/656270126.db2.gz LMYJLLWEJDLCNY-UXBLZVDNSA-N 1 2 283.328 -1.677 20 0 CAADLO C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)N[C@H]1COCCC1=O ZINC000913149118 656273102 /nfs/dbraw/zinc/27/31/02/656273102.db2.gz QNKYBKHTNWUNPU-PTRXPTGYSA-N 1 2 256.302 -1.084 20 0 CAADLO C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)N[C@H]1COCCC1=O ZINC000913149118 656273105 /nfs/dbraw/zinc/27/31/05/656273105.db2.gz QNKYBKHTNWUNPU-PTRXPTGYSA-N 1 2 256.302 -1.084 20 0 CAADLO C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)NC[C@@]1(CO)COCCN1 ZINC000913177985 656273409 /nfs/dbraw/zinc/27/34/09/656273409.db2.gz BLUSYFMUOFBTKS-RAIGVLPGSA-N 1 2 287.360 -2.091 20 0 CAADLO C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)NC[C@@]1(CO)COCCN1 ZINC000913177985 656273411 /nfs/dbraw/zinc/27/34/11/656273411.db2.gz BLUSYFMUOFBTKS-RAIGVLPGSA-N 1 2 287.360 -2.091 20 0 CAADLO Cc1[nH+]ccn1CC(=O)NC[C@]1(CO)COCCN1 ZINC000913182945 656274852 /nfs/dbraw/zinc/27/48/52/656274852.db2.gz CGKYVZLTGQMBDK-LBPRGKRZSA-N 1 2 268.317 -1.341 20 0 CAADLO Cc1nccn1CC(=O)NC[C@]1(CO)COCC[NH2+]1 ZINC000913182945 656274858 /nfs/dbraw/zinc/27/48/58/656274858.db2.gz CGKYVZLTGQMBDK-LBPRGKRZSA-N 1 2 268.317 -1.341 20 0 CAADLO Cc1[nH+]ccn1CC(=O)NC[C@@]1(CO)COCCN1 ZINC000913182943 656275474 /nfs/dbraw/zinc/27/54/74/656275474.db2.gz CGKYVZLTGQMBDK-GFCCVEGCSA-N 1 2 268.317 -1.341 20 0 CAADLO Cc1nccn1CC(=O)NC[C@@]1(CO)COCC[NH2+]1 ZINC000913182943 656275479 /nfs/dbraw/zinc/27/54/79/656275479.db2.gz CGKYVZLTGQMBDK-GFCCVEGCSA-N 1 2 268.317 -1.341 20 0 CAADLO CCN1CCO[C@@H](C(=O)NC[C@@]2(CO)COCC[NH2+]2)C1 ZINC000913186496 656277896 /nfs/dbraw/zinc/27/78/96/656277896.db2.gz IHBNZRLEJLERCA-DGCLKSJQSA-N 1 2 287.360 -1.826 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001030028751 656279610 /nfs/dbraw/zinc/27/96/10/656279610.db2.gz MRQSSZZXCDNQDH-BBBLOLIVSA-N 1 2 282.344 -1.281 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001030028751 656279614 /nfs/dbraw/zinc/27/96/14/656279614.db2.gz MRQSSZZXCDNQDH-BBBLOLIVSA-N 1 2 282.344 -1.281 20 0 CAADLO CN(C[C@@H]1C[N@H+](C)CCO1)C(=O)[C@@H]1C[C@@H]1C(N)=O ZINC000913506747 656282509 /nfs/dbraw/zinc/28/25/09/656282509.db2.gz HXRWPZYCXOMALA-LPEHRKFASA-N 1 2 255.318 -1.103 20 0 CAADLO CN(C[C@@H]1C[N@@H+](C)CCO1)C(=O)[C@@H]1C[C@@H]1C(N)=O ZINC000913506747 656282512 /nfs/dbraw/zinc/28/25/12/656282512.db2.gz HXRWPZYCXOMALA-LPEHRKFASA-N 1 2 255.318 -1.103 20 0 CAADLO CN1C[C@@H](C(=O)N2CC[NH2+][C@H](c3cn[nH]c3)C2)NC1=O ZINC000913452641 656282536 /nfs/dbraw/zinc/28/25/36/656282536.db2.gz DQAJSQCLIXORLO-UWVGGRQHSA-N 1 2 278.316 -1.094 20 0 CAADLO O=C(CN1CCOCC1=O)N1CC[NH2+][C@H](c2cn[nH]c2)C1 ZINC000913452709 656282562 /nfs/dbraw/zinc/28/25/62/656282562.db2.gz KCFVABVHUKOQCV-NSHDSACASA-N 1 2 293.327 -1.259 20 0 CAADLO CN(C[C@H]1C[N@H+](C)CCO1)C(=O)[C@@H]1OCCN(C)C1=O ZINC000913507332 656282568 /nfs/dbraw/zinc/28/25/68/656282568.db2.gz MXQUBLOKLYTKFN-GHMZBOCLSA-N 1 2 285.344 -1.367 20 0 CAADLO CN(C[C@H]1C[N@@H+](C)CCO1)C(=O)[C@@H]1OCCN(C)C1=O ZINC000913507332 656282570 /nfs/dbraw/zinc/28/25/70/656282570.db2.gz MXQUBLOKLYTKFN-GHMZBOCLSA-N 1 2 285.344 -1.367 20 0 CAADLO CN(C[C@H]1C[N@H+](C)CCO1)C(=O)[C@H]1OCCN(C)C1=O ZINC000913507338 656282578 /nfs/dbraw/zinc/28/25/78/656282578.db2.gz MXQUBLOKLYTKFN-MNOVXSKESA-N 1 2 285.344 -1.367 20 0 CAADLO CN(C[C@H]1C[N@@H+](C)CCO1)C(=O)[C@H]1OCCN(C)C1=O ZINC000913507338 656282579 /nfs/dbraw/zinc/28/25/79/656282579.db2.gz MXQUBLOKLYTKFN-MNOVXSKESA-N 1 2 285.344 -1.367 20 0 CAADLO NC(=O)[C@@H]1C[C@@H]1C(=O)N1CCO[C@@H](C[NH+]2CCOCC2)C1 ZINC000913477125 656282612 /nfs/dbraw/zinc/28/26/12/656282612.db2.gz CUUYSEGEBZHOCC-TUAOUCFPSA-N 1 2 297.355 -1.333 20 0 CAADLO CN1C[C@H](C(=O)N2CC[NH2+][C@@H](c3cn[nH]c3)C2)NC1=O ZINC000913452640 656282799 /nfs/dbraw/zinc/28/27/99/656282799.db2.gz DQAJSQCLIXORLO-NXEZZACHSA-N 1 2 278.316 -1.094 20 0 CAADLO CN(C[C@@H]1C[N@H+](C)CCO1)C(=O)[C@@H](O)C(C)(C)O ZINC000913506944 656282844 /nfs/dbraw/zinc/28/28/44/656282844.db2.gz JRIAKUIWXGFFNG-VHSXEESVSA-N 1 2 260.334 -1.093 20 0 CAADLO CN(C[C@@H]1C[N@@H+](C)CCO1)C(=O)[C@@H](O)C(C)(C)O ZINC000913506944 656282851 /nfs/dbraw/zinc/28/28/51/656282851.db2.gz JRIAKUIWXGFFNG-VHSXEESVSA-N 1 2 260.334 -1.093 20 0 CAADLO Cn1cc([C@H]2CN(C(=O)[C@H]3CN(C)C(=O)N3)CC[NH2+]2)cn1 ZINC000913456491 656283053 /nfs/dbraw/zinc/28/30/53/656283053.db2.gz KMOABIVROTYKPJ-GHMZBOCLSA-N 1 2 292.343 -1.083 20 0 CAADLO COCC(=O)N(C)CC(=O)N1CC[NH2+][C@@H](c2cn[nH]c2)C1 ZINC000913450019 656283251 /nfs/dbraw/zinc/28/32/51/656283251.db2.gz VMKHSUYNWOJTQQ-LLVKDONJSA-N 1 2 295.343 -1.013 20 0 CAADLO Cn1cc([C@H]2CN(C(=O)[C@H]3CC(=O)N3)CC[NH2+]2)cn1 ZINC000913461196 656283308 /nfs/dbraw/zinc/28/33/08/656283308.db2.gz UUHVETLWMZJJKG-NXEZZACHSA-N 1 2 263.301 -1.219 20 0 CAADLO Cn1cc([C@H]2CN(C(=O)[C@@H]3CN(C)C(=O)N3)CC[NH2+]2)cn1 ZINC000913456492 656283324 /nfs/dbraw/zinc/28/33/24/656283324.db2.gz KMOABIVROTYKPJ-MNOVXSKESA-N 1 2 292.343 -1.083 20 0 CAADLO CN(C[C@H]1C[N@H+](C)CCO1)C(=O)CN1CCNC(=O)C1 ZINC000913507629 656283670 /nfs/dbraw/zinc/28/36/70/656283670.db2.gz RCOZQQBYKGMJKQ-LLVKDONJSA-N 1 2 284.360 -1.793 20 0 CAADLO CN(C[C@H]1C[N@@H+](C)CCO1)C(=O)CN1CCNC(=O)C1 ZINC000913507629 656283672 /nfs/dbraw/zinc/28/36/72/656283672.db2.gz RCOZQQBYKGMJKQ-LLVKDONJSA-N 1 2 284.360 -1.793 20 0 CAADLO CN(C[C@H]1C[N@H+](C)CCO1)C(=O)CCNC(=O)CO ZINC000913507616 656283697 /nfs/dbraw/zinc/28/36/97/656283697.db2.gz QVSCWBDYCQIEDB-SNVBAGLBSA-N 1 2 273.333 -1.726 20 0 CAADLO CN(C[C@H]1C[N@@H+](C)CCO1)C(=O)CCNC(=O)CO ZINC000913507616 656283698 /nfs/dbraw/zinc/28/36/98/656283698.db2.gz QVSCWBDYCQIEDB-SNVBAGLBSA-N 1 2 273.333 -1.726 20 0 CAADLO C[N@@H+]1CCN(C(=O)C2(n3cnnn3)CC2)C[C@@H]1CO ZINC000913539830 656284105 /nfs/dbraw/zinc/28/41/05/656284105.db2.gz ISKQHWVQLAIOGW-SECBINFHSA-N 1 2 266.305 -1.703 20 0 CAADLO C[N@H+]1CCN(C(=O)C2(n3cnnn3)CC2)C[C@@H]1CO ZINC000913539830 656284109 /nfs/dbraw/zinc/28/41/09/656284109.db2.gz ISKQHWVQLAIOGW-SECBINFHSA-N 1 2 266.305 -1.703 20 0 CAADLO C[N@@H+]1CCN(C(=O)C2(N3CCOCC3)CC2)C[C@H]1CO ZINC000913541543 656284230 /nfs/dbraw/zinc/28/42/30/656284230.db2.gz PAIDNQFIQGUTOZ-LBPRGKRZSA-N 1 2 283.372 -1.014 20 0 CAADLO C[N@H+]1CCN(C(=O)C2(N3CCOCC3)CC2)C[C@H]1CO ZINC000913541543 656284235 /nfs/dbraw/zinc/28/42/35/656284235.db2.gz PAIDNQFIQGUTOZ-LBPRGKRZSA-N 1 2 283.372 -1.014 20 0 CAADLO CCC[C@@H](NC(N)=O)C(=O)N1CC[N@H+](C)[C@@H](CO)C1 ZINC000913547974 656284286 /nfs/dbraw/zinc/28/42/86/656284286.db2.gz ZZQYBBQHAYCTGL-NXEZZACHSA-N 1 2 272.349 -1.042 20 0 CAADLO CCC[C@@H](NC(N)=O)C(=O)N1CC[N@@H+](C)[C@@H](CO)C1 ZINC000913547974 656284291 /nfs/dbraw/zinc/28/42/91/656284291.db2.gz ZZQYBBQHAYCTGL-NXEZZACHSA-N 1 2 272.349 -1.042 20 0 CAADLO CCC[C@@H](NC(N)=O)C(=O)N1CC[N@H+](C)[C@H](CO)C1 ZINC000913547975 656284694 /nfs/dbraw/zinc/28/46/94/656284694.db2.gz ZZQYBBQHAYCTGL-VHSXEESVSA-N 1 2 272.349 -1.042 20 0 CAADLO CCC[C@@H](NC(N)=O)C(=O)N1CC[N@@H+](C)[C@H](CO)C1 ZINC000913547975 656284697 /nfs/dbraw/zinc/28/46/97/656284697.db2.gz ZZQYBBQHAYCTGL-VHSXEESVSA-N 1 2 272.349 -1.042 20 0 CAADLO CC(=O)N1CCOC[C@@H]1C(=O)N1CC[N@@H+](C)[C@@H](CO)C1 ZINC000913547929 656284771 /nfs/dbraw/zinc/28/47/71/656284771.db2.gz ZFLZBGBMYLPYIA-VXGBXAGGSA-N 1 2 285.344 -1.631 20 0 CAADLO CC(=O)N1CCOC[C@@H]1C(=O)N1CC[N@H+](C)[C@@H](CO)C1 ZINC000913547929 656284775 /nfs/dbraw/zinc/28/47/75/656284775.db2.gz ZFLZBGBMYLPYIA-VXGBXAGGSA-N 1 2 285.344 -1.631 20 0 CAADLO C[N@@H+]1CCN(C(=O)C2(N3CCOCC3)CC2)C[C@@H]1CO ZINC000913541542 656284784 /nfs/dbraw/zinc/28/47/84/656284784.db2.gz PAIDNQFIQGUTOZ-GFCCVEGCSA-N 1 2 283.372 -1.014 20 0 CAADLO C[N@H+]1CCN(C(=O)C2(N3CCOCC3)CC2)C[C@@H]1CO ZINC000913541542 656284787 /nfs/dbraw/zinc/28/47/87/656284787.db2.gz PAIDNQFIQGUTOZ-GFCCVEGCSA-N 1 2 283.372 -1.014 20 0 CAADLO C[N@@H+]1CCN(C(=O)C2(n3cnnn3)CC2)C[C@H]1CO ZINC000913539831 656284812 /nfs/dbraw/zinc/28/48/12/656284812.db2.gz ISKQHWVQLAIOGW-VIFPVBQESA-N 1 2 266.305 -1.703 20 0 CAADLO C[N@H+]1CCN(C(=O)C2(n3cnnn3)CC2)C[C@H]1CO ZINC000913539831 656284814 /nfs/dbraw/zinc/28/48/14/656284814.db2.gz ISKQHWVQLAIOGW-VIFPVBQESA-N 1 2 266.305 -1.703 20 0 CAADLO CN1C[C@H](C(=O)N2CC[N@H+](C)[C@H](CO)C2)CCC1=O ZINC000913541892 656284901 /nfs/dbraw/zinc/28/49/01/656284901.db2.gz XMVKVTQYXVFBFY-MNOVXSKESA-N 1 2 269.345 -1.010 20 0 CAADLO CN1C[C@H](C(=O)N2CC[N@@H+](C)[C@H](CO)C2)CCC1=O ZINC000913541892 656284905 /nfs/dbraw/zinc/28/49/05/656284905.db2.gz XMVKVTQYXVFBFY-MNOVXSKESA-N 1 2 269.345 -1.010 20 0 CAADLO C[N@@H+]1CCN(C(=O)c2ccn3nnnc3c2)C[C@@H]1CO ZINC000913540040 656284931 /nfs/dbraw/zinc/28/49/31/656284931.db2.gz NGJNFDREDJTQOV-SNVBAGLBSA-N 1 2 276.300 -1.127 20 0 CAADLO C[N@H+]1CCN(C(=O)c2ccn3nnnc3c2)C[C@@H]1CO ZINC000913540040 656284935 /nfs/dbraw/zinc/28/49/35/656284935.db2.gz NGJNFDREDJTQOV-SNVBAGLBSA-N 1 2 276.300 -1.127 20 0 CAADLO COC(=O)N[C@@H](C)C(=O)N1CC[N@H+](C)[C@H](CO)C1 ZINC000913547082 656285020 /nfs/dbraw/zinc/28/50/20/656285020.db2.gz FSEOLCLZSOYTOE-IUCAKERBSA-N 1 2 259.306 -1.134 20 0 CAADLO COC(=O)N[C@@H](C)C(=O)N1CC[N@@H+](C)[C@H](CO)C1 ZINC000913547082 656285024 /nfs/dbraw/zinc/28/50/24/656285024.db2.gz FSEOLCLZSOYTOE-IUCAKERBSA-N 1 2 259.306 -1.134 20 0 CAADLO COC(=O)[C@@H]1CC[C@H](C(=O)N2CC[N@H+](C)[C@@H](CO)C2)O1 ZINC000913540573 656285095 /nfs/dbraw/zinc/28/50/95/656285095.db2.gz ZJIHBVMULSSHRE-MXWKQRLJSA-N 1 2 286.328 -1.158 20 0 CAADLO COC(=O)[C@@H]1CC[C@H](C(=O)N2CC[N@@H+](C)[C@@H](CO)C2)O1 ZINC000913540573 656285097 /nfs/dbraw/zinc/28/50/97/656285097.db2.gz ZJIHBVMULSSHRE-MXWKQRLJSA-N 1 2 286.328 -1.158 20 0 CAADLO C[N@@H+]1CCN(C(=O)c2ccn3nnnc3c2)C[C@H]1CO ZINC000913540039 656285100 /nfs/dbraw/zinc/28/51/00/656285100.db2.gz NGJNFDREDJTQOV-JTQLQIEISA-N 1 2 276.300 -1.127 20 0 CAADLO C[N@H+]1CCN(C(=O)c2ccn3nnnc3c2)C[C@H]1CO ZINC000913540039 656285102 /nfs/dbraw/zinc/28/51/02/656285102.db2.gz NGJNFDREDJTQOV-JTQLQIEISA-N 1 2 276.300 -1.127 20 0 CAADLO CC(=O)N1CCOC[C@@H]1C(=O)N1CC[N@@H+](C)[C@H](CO)C1 ZINC000913547927 656285176 /nfs/dbraw/zinc/28/51/76/656285176.db2.gz ZFLZBGBMYLPYIA-NWDGAFQWSA-N 1 2 285.344 -1.631 20 0 CAADLO CC(=O)N1CCOC[C@@H]1C(=O)N1CC[N@H+](C)[C@H](CO)C1 ZINC000913547927 656285181 /nfs/dbraw/zinc/28/51/81/656285181.db2.gz ZFLZBGBMYLPYIA-NWDGAFQWSA-N 1 2 285.344 -1.631 20 0 CAADLO C[N@@H+]1CCN(C(=O)[C@@H]2CC[C@@H]2C(N)=O)C[C@@H]1CO ZINC000913542580 656285464 /nfs/dbraw/zinc/28/54/64/656285464.db2.gz NBVXASWNIGHBLS-KXUCPTDWSA-N 1 2 255.318 -1.367 20 0 CAADLO C[N@H+]1CCN(C(=O)[C@@H]2CC[C@@H]2C(N)=O)C[C@@H]1CO ZINC000913542580 656285468 /nfs/dbraw/zinc/28/54/68/656285468.db2.gz NBVXASWNIGHBLS-KXUCPTDWSA-N 1 2 255.318 -1.367 20 0 CAADLO C[C@@H]1OC(=O)N[C@@H]1C(=O)N1CC[N@H+](C)[C@@H](CO)C1 ZINC000913544769 656285482 /nfs/dbraw/zinc/28/54/82/656285482.db2.gz LWVAPEYELUJFEA-YIZRAAEISA-N 1 2 257.290 -1.382 20 0 CAADLO C[C@@H]1OC(=O)N[C@@H]1C(=O)N1CC[N@@H+](C)[C@@H](CO)C1 ZINC000913544769 656285487 /nfs/dbraw/zinc/28/54/87/656285487.db2.gz LWVAPEYELUJFEA-YIZRAAEISA-N 1 2 257.290 -1.382 20 0 CAADLO CCS(=O)(=O)N[C@@H](C)C(=O)N1CC[N@H+](C)[C@@H](CO)C1 ZINC000913542827 656285680 /nfs/dbraw/zinc/28/56/80/656285680.db2.gz SZNBFWYZYQBSMC-VHSXEESVSA-N 1 2 293.389 -1.551 20 0 CAADLO CCS(=O)(=O)N[C@@H](C)C(=O)N1CC[N@@H+](C)[C@@H](CO)C1 ZINC000913542827 656285681 /nfs/dbraw/zinc/28/56/81/656285681.db2.gz SZNBFWYZYQBSMC-VHSXEESVSA-N 1 2 293.389 -1.551 20 0 CAADLO Cn1cc(C[C@H](O)C(=O)N2CC[N@H+](C)[C@@H](CO)C2)cn1 ZINC000913544642 656285688 /nfs/dbraw/zinc/28/56/88/656285688.db2.gz JHLMYJVPNXVWIS-NEPJUHHUSA-N 1 2 282.344 -1.542 20 0 CAADLO Cn1cc(C[C@H](O)C(=O)N2CC[N@@H+](C)[C@@H](CO)C2)cn1 ZINC000913544642 656285690 /nfs/dbraw/zinc/28/56/90/656285690.db2.gz JHLMYJVPNXVWIS-NEPJUHHUSA-N 1 2 282.344 -1.542 20 0 CAADLO Cn1cc([C@@H](O)C(=O)N2CC[N@H+](C)[C@H](CO)C2)cn1 ZINC000913543497 656285808 /nfs/dbraw/zinc/28/58/08/656285808.db2.gz JLURASPPIPDCCC-WDEREUQCSA-N 1 2 268.317 -1.412 20 0 CAADLO Cn1cc([C@@H](O)C(=O)N2CC[N@@H+](C)[C@H](CO)C2)cn1 ZINC000913543497 656285812 /nfs/dbraw/zinc/28/58/12/656285812.db2.gz JLURASPPIPDCCC-WDEREUQCSA-N 1 2 268.317 -1.412 20 0 CAADLO CC(=O)N1CCC[C@](O)(C(=O)N2CC[N@@H+](C)[C@H](CO)C2)C1 ZINC000913543589 656285895 /nfs/dbraw/zinc/28/58/95/656285895.db2.gz LPKMNDFEENVJMP-GXTWGEPZSA-N 1 2 299.371 -1.505 20 0 CAADLO CC(=O)N1CCC[C@](O)(C(=O)N2CC[N@H+](C)[C@H](CO)C2)C1 ZINC000913543589 656285899 /nfs/dbraw/zinc/28/58/99/656285899.db2.gz LPKMNDFEENVJMP-GXTWGEPZSA-N 1 2 299.371 -1.505 20 0 CAADLO C[N@@H+]1CCN(C(=O)[C@@H]2CC[C@H]2C(N)=O)C[C@H]1CO ZINC000913542579 656285970 /nfs/dbraw/zinc/28/59/70/656285970.db2.gz NBVXASWNIGHBLS-IVZWLZJFSA-N 1 2 255.318 -1.367 20 0 CAADLO C[N@H+]1CCN(C(=O)[C@@H]2CC[C@H]2C(N)=O)C[C@H]1CO ZINC000913542579 656285974 /nfs/dbraw/zinc/28/59/74/656285974.db2.gz NBVXASWNIGHBLS-IVZWLZJFSA-N 1 2 255.318 -1.367 20 0 CAADLO CCS(=O)(=O)N[C@@H](C)C(=O)N1CC[N@H+](C)[C@H](CO)C1 ZINC000913542826 656286170 /nfs/dbraw/zinc/28/61/70/656286170.db2.gz SZNBFWYZYQBSMC-UWVGGRQHSA-N 1 2 293.389 -1.551 20 0 CAADLO CCS(=O)(=O)N[C@@H](C)C(=O)N1CC[N@@H+](C)[C@H](CO)C1 ZINC000913542826 656286172 /nfs/dbraw/zinc/28/61/72/656286172.db2.gz SZNBFWYZYQBSMC-UWVGGRQHSA-N 1 2 293.389 -1.551 20 0 CAADLO CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N1CC[N@@H+](C)[C@H](CO)C1 ZINC000913545021 656286201 /nfs/dbraw/zinc/28/62/01/656286201.db2.gz SFIUQIRCXVMEHO-SDDRHHMPSA-N 1 2 285.344 -1.897 20 0 CAADLO CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N1CC[N@H+](C)[C@H](CO)C1 ZINC000913545021 656286203 /nfs/dbraw/zinc/28/62/03/656286203.db2.gz SFIUQIRCXVMEHO-SDDRHHMPSA-N 1 2 285.344 -1.897 20 0 CAADLO C[N@@H+]1CCN(C(=O)c2nc3n(n2)CCCN3)C[C@H]1CO ZINC000913542926 656286251 /nfs/dbraw/zinc/28/62/51/656286251.db2.gz WCCOIEVNBAWOJM-VIFPVBQESA-N 1 2 280.332 -1.900 20 0 CAADLO C[N@H+]1CCN(C(=O)c2nc3n(n2)CCCN3)C[C@H]1CO ZINC000913542926 656286254 /nfs/dbraw/zinc/28/62/54/656286254.db2.gz WCCOIEVNBAWOJM-VIFPVBQESA-N 1 2 280.332 -1.900 20 0 CAADLO Cn1cc([C@H](O)C(=O)N2CC[N@H+](C)[C@@H](CO)C2)cn1 ZINC000913543495 656286382 /nfs/dbraw/zinc/28/63/82/656286382.db2.gz JLURASPPIPDCCC-MNOVXSKESA-N 1 2 268.317 -1.412 20 0 CAADLO Cn1cc([C@H](O)C(=O)N2CC[N@@H+](C)[C@@H](CO)C2)cn1 ZINC000913543495 656286385 /nfs/dbraw/zinc/28/63/85/656286385.db2.gz JLURASPPIPDCCC-MNOVXSKESA-N 1 2 268.317 -1.412 20 0 CAADLO C[N@@H+]1CCN(C(=O)[C@H]2CCc3nncn3C2)C[C@H]1CO ZINC000913542189 656286427 /nfs/dbraw/zinc/28/64/27/656286427.db2.gz FCFAMQPXKPSEDP-QWRGUYRKSA-N 1 2 279.344 -1.025 20 0 CAADLO C[N@H+]1CCN(C(=O)[C@H]2CCc3nncn3C2)C[C@H]1CO ZINC000913542189 656286429 /nfs/dbraw/zinc/28/64/29/656286429.db2.gz FCFAMQPXKPSEDP-QWRGUYRKSA-N 1 2 279.344 -1.025 20 0 CAADLO C[N@@H+]1CCN(C(=O)C(=O)NCC2CC2)C[C@H]1CO ZINC000913544534 656286527 /nfs/dbraw/zinc/28/65/27/656286527.db2.gz HKIWFTVWIQHYJA-JTQLQIEISA-N 1 2 255.318 -1.353 20 0 CAADLO C[N@H+]1CCN(C(=O)C(=O)NCC2CC2)C[C@H]1CO ZINC000913544534 656286533 /nfs/dbraw/zinc/28/65/33/656286533.db2.gz HKIWFTVWIQHYJA-JTQLQIEISA-N 1 2 255.318 -1.353 20 0 CAADLO C[N@@H+]1CCN(C(=O)c2nc3n(n2)CCCN3)C[C@@H]1CO ZINC000913542925 656286556 /nfs/dbraw/zinc/28/65/56/656286556.db2.gz WCCOIEVNBAWOJM-SECBINFHSA-N 1 2 280.332 -1.900 20 0 CAADLO C[N@H+]1CCN(C(=O)c2nc3n(n2)CCCN3)C[C@@H]1CO ZINC000913542925 656286562 /nfs/dbraw/zinc/28/65/62/656286562.db2.gz WCCOIEVNBAWOJM-SECBINFHSA-N 1 2 280.332 -1.900 20 0 CAADLO COCCN1C[C@@H](C(=O)N2CC[N@H+](C)[C@@H](CO)C2)CC1=O ZINC000913553025 656286645 /nfs/dbraw/zinc/28/66/45/656286645.db2.gz AAKOHGJUBBIFRY-NWDGAFQWSA-N 1 2 299.371 -1.384 20 0 CAADLO COCCN1C[C@@H](C(=O)N2CC[N@@H+](C)[C@@H](CO)C2)CC1=O ZINC000913553025 656286650 /nfs/dbraw/zinc/28/66/50/656286650.db2.gz AAKOHGJUBBIFRY-NWDGAFQWSA-N 1 2 299.371 -1.384 20 0 CAADLO Cn1cc(C(N)=O)cc1C(=O)N1CC[N@H+](C)[C@H](CO)C1 ZINC000913549898 656286946 /nfs/dbraw/zinc/28/69/46/656286946.db2.gz IJWGLYFQPHMIBE-JTQLQIEISA-N 1 2 280.328 -1.128 20 0 CAADLO Cn1cc(C(N)=O)cc1C(=O)N1CC[N@@H+](C)[C@H](CO)C1 ZINC000913549898 656286951 /nfs/dbraw/zinc/28/69/51/656286951.db2.gz IJWGLYFQPHMIBE-JTQLQIEISA-N 1 2 280.328 -1.128 20 0 CAADLO CNC(=O)C1(C(=O)N2CC[N@H+](C)[C@@H](CO)C2)CC1 ZINC000913551280 656286967 /nfs/dbraw/zinc/28/69/67/656286967.db2.gz MLORPZJYTUJOMW-SECBINFHSA-N 1 2 255.318 -1.353 20 0 CAADLO CNC(=O)C1(C(=O)N2CC[N@@H+](C)[C@@H](CO)C2)CC1 ZINC000913551280 656286969 /nfs/dbraw/zinc/28/69/69/656286969.db2.gz MLORPZJYTUJOMW-SECBINFHSA-N 1 2 255.318 -1.353 20 0 CAADLO CN1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1CO ZINC000913550475 656287077 /nfs/dbraw/zinc/28/70/77/656287077.db2.gz VHRSZSLMOZZXMX-WDEREUQCSA-N 1 2 257.334 -1.548 20 0 CAADLO CN1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1CO ZINC000913550475 656287079 /nfs/dbraw/zinc/28/70/79/656287079.db2.gz VHRSZSLMOZZXMX-WDEREUQCSA-N 1 2 257.334 -1.548 20 0 CAADLO C[N@@H+]1CCN(C(=O)C(C)(C)NS(C)(=O)=O)C[C@H]1CO ZINC000913549517 656287089 /nfs/dbraw/zinc/28/70/89/656287089.db2.gz BIFCRELXHZSLRI-VIFPVBQESA-N 1 2 293.389 -1.551 20 0 CAADLO C[N@H+]1CCN(C(=O)C(C)(C)NS(C)(=O)=O)C[C@H]1CO ZINC000913549517 656287095 /nfs/dbraw/zinc/28/70/95/656287095.db2.gz BIFCRELXHZSLRI-VIFPVBQESA-N 1 2 293.389 -1.551 20 0 CAADLO CN1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@@H]1CO ZINC000913550472 656287203 /nfs/dbraw/zinc/28/72/03/656287203.db2.gz VHRSZSLMOZZXMX-GHMZBOCLSA-N 1 2 257.334 -1.548 20 0 CAADLO CN1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@@H]1CO ZINC000913550472 656287204 /nfs/dbraw/zinc/28/72/04/656287204.db2.gz VHRSZSLMOZZXMX-GHMZBOCLSA-N 1 2 257.334 -1.548 20 0 CAADLO C[N@@H+]1CCN(C(=O)c2ccc3nnnn3c2)C[C@H]1CO ZINC000913549748 656287229 /nfs/dbraw/zinc/28/72/29/656287229.db2.gz FFWVBWZZLLEIES-JTQLQIEISA-N 1 2 276.300 -1.127 20 0 CAADLO C[N@H+]1CCN(C(=O)c2ccc3nnnn3c2)C[C@H]1CO ZINC000913549748 656287232 /nfs/dbraw/zinc/28/72/32/656287232.db2.gz FFWVBWZZLLEIES-JTQLQIEISA-N 1 2 276.300 -1.127 20 0 CAADLO C[N@@H+]1CCN(C(=O)CSCC(N)=O)C[C@H]1CO ZINC000913548987 656287288 /nfs/dbraw/zinc/28/72/88/656287288.db2.gz VRYKBNPKXZBUSK-QMMMGPOBSA-N 1 2 261.347 -1.660 20 0 CAADLO C[N@H+]1CCN(C(=O)CSCC(N)=O)C[C@H]1CO ZINC000913548987 656287292 /nfs/dbraw/zinc/28/72/92/656287292.db2.gz VRYKBNPKXZBUSK-QMMMGPOBSA-N 1 2 261.347 -1.660 20 0 CAADLO CNC(=O)C1(C(=O)N2CC[N@H+](C)[C@H](CO)C2)CC1 ZINC000913551281 656287330 /nfs/dbraw/zinc/28/73/30/656287330.db2.gz MLORPZJYTUJOMW-VIFPVBQESA-N 1 2 255.318 -1.353 20 0 CAADLO CNC(=O)C1(C(=O)N2CC[N@@H+](C)[C@H](CO)C2)CC1 ZINC000913551281 656287337 /nfs/dbraw/zinc/28/73/37/656287337.db2.gz MLORPZJYTUJOMW-VIFPVBQESA-N 1 2 255.318 -1.353 20 0 CAADLO C[C@@H](NS(C)(=O)=O)C(=O)N1CC[N@H+](C)[C@@H](CO)C1 ZINC000913548729 656287433 /nfs/dbraw/zinc/28/74/33/656287433.db2.gz RRSZPGSDRHLXPY-RKDXNWHRSA-N 1 2 279.362 -1.941 20 0 CAADLO C[C@@H](NS(C)(=O)=O)C(=O)N1CC[N@@H+](C)[C@@H](CO)C1 ZINC000913548729 656287438 /nfs/dbraw/zinc/28/74/38/656287438.db2.gz RRSZPGSDRHLXPY-RKDXNWHRSA-N 1 2 279.362 -1.941 20 0 CAADLO CN1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@@H]1CO ZINC000913550473 656287502 /nfs/dbraw/zinc/28/75/02/656287502.db2.gz VHRSZSLMOZZXMX-MNOVXSKESA-N 1 2 257.334 -1.548 20 0 CAADLO CN1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@@H]1CO ZINC000913550473 656287505 /nfs/dbraw/zinc/28/75/05/656287505.db2.gz VHRSZSLMOZZXMX-MNOVXSKESA-N 1 2 257.334 -1.548 20 0 CAADLO NC(=O)C(=O)N1CC[C@@H](NC(=O)Cn2cc[nH+]c2)[C@H](O)C1 ZINC000991560878 656289719 /nfs/dbraw/zinc/28/97/19/656289719.db2.gz BZOFBQRHCXVQFD-RKDXNWHRSA-N 1 2 295.299 -2.554 20 0 CAADLO COCC(=O)N1CC[C@@H](NC(=O)Cn2cc[nH+]c2)[C@H](O)C1 ZINC000991555362 656290271 /nfs/dbraw/zinc/29/02/71/656290271.db2.gz DAZFMEZHMBDCFR-GHMZBOCLSA-N 1 2 296.327 -1.393 20 0 CAADLO Cn1cc(CC[NH+]2CC(NC(=O)Cn3cnnn3)C2)cn1 ZINC001030085658 656290573 /nfs/dbraw/zinc/29/05/73/656290573.db2.gz OHHAYMNFCOOQGM-UHFFFAOYSA-N 1 2 290.331 -1.550 20 0 CAADLO C[C@@H](O)C[NH+]1CC(NC(=O)c2ccc(=O)[nH]n2)C1 ZINC001030078707 656290687 /nfs/dbraw/zinc/29/06/87/656290687.db2.gz BYPICVNVTGCBQZ-SSDOTTSWSA-N 1 2 252.274 -1.023 20 0 CAADLO COC[C@H](C)[NH+]1CC(NC(=O)Cn2cnnn2)C1 ZINC001030086231 656290848 /nfs/dbraw/zinc/29/08/48/656290848.db2.gz VMQUUMOQVFFAKS-QMMMGPOBSA-N 1 2 254.294 -1.492 20 0 CAADLO O=C(Cn1cnnn1)NC1C[NH+](CCn2cccn2)C1 ZINC001030089014 656291419 /nfs/dbraw/zinc/29/14/19/656291419.db2.gz VAARIRZXQKOFQC-UHFFFAOYSA-N 1 2 276.304 -1.630 20 0 CAADLO C[C@@H](O)C[NH+]1CC(NC(=O)CN2CCCC2=O)C1 ZINC001030091299 656291502 /nfs/dbraw/zinc/29/15/02/656291502.db2.gz GYQNBDOOCDXOOP-SECBINFHSA-N 1 2 255.318 -1.210 20 0 CAADLO CC(=O)N1CC[C@H](NC(=O)Cn2cc[nH+]c2)[C@@H](O)C1 ZINC000991573281 656292359 /nfs/dbraw/zinc/29/23/59/656292359.db2.gz OLIGYHMXMQVXKM-QWRGUYRKSA-N 1 2 266.301 -1.019 20 0 CAADLO C[C@@H](O)CN1CC(NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001030183695 656296501 /nfs/dbraw/zinc/29/65/01/656296501.db2.gz UKCBVWHUQDAAHQ-KOLCDFICSA-N 1 2 257.334 -1.502 20 0 CAADLO C[C@@H](O)CN1CC(NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001030183695 656296504 /nfs/dbraw/zinc/29/65/04/656296504.db2.gz UKCBVWHUQDAAHQ-KOLCDFICSA-N 1 2 257.334 -1.502 20 0 CAADLO Cc1c(C(=O)NC2C[NH+](C[C@H](C)O)C2)nnn1C ZINC001030177817 656296588 /nfs/dbraw/zinc/29/65/88/656296588.db2.gz VZALYPMUVDARRX-ZETCQYMHSA-N 1 2 253.306 -1.082 20 0 CAADLO C[N@@H+]1CCO[C@H](C(=O)NC2CN(CCCO)C2)C1 ZINC001030180349 656296830 /nfs/dbraw/zinc/29/68/30/656296830.db2.gz PLWYYVFRANYQHM-NSHDSACASA-N 1 2 257.334 -1.500 20 0 CAADLO C[N@H+]1CCO[C@H](C(=O)NC2CN(CCCO)C2)C1 ZINC001030180349 656296834 /nfs/dbraw/zinc/29/68/34/656296834.db2.gz PLWYYVFRANYQHM-NSHDSACASA-N 1 2 257.334 -1.500 20 0 CAADLO O=C(NC1C[NH+](CCCO)C1)[C@H]1CCNC(=O)C1 ZINC001030207517 656297235 /nfs/dbraw/zinc/29/72/35/656297235.db2.gz CYGDTVXZMKFZRB-VIFPVBQESA-N 1 2 255.318 -1.305 20 0 CAADLO COCC[NH+]1CC(NC(=O)[C@H]2CCNC(=O)C2)C1 ZINC001030208313 656297334 /nfs/dbraw/zinc/29/73/34/656297334.db2.gz NZFWNKSNLHKVOQ-VIFPVBQESA-N 1 2 255.318 -1.041 20 0 CAADLO C[C@@H](O)C[NH+]1CC(NC(=O)[C@H]2CCNC(=O)C2)C1 ZINC001030214404 656297371 /nfs/dbraw/zinc/29/73/71/656297371.db2.gz JOWDORDUCWCXAQ-BDAKNGLRSA-N 1 2 255.318 -1.306 20 0 CAADLO COCC[NH+]1CC(NC(=O)[C@@H]2CCNC(=O)C2)C1 ZINC001030208312 656297733 /nfs/dbraw/zinc/29/77/33/656297733.db2.gz NZFWNKSNLHKVOQ-SECBINFHSA-N 1 2 255.318 -1.041 20 0 CAADLO CN1CCOC[C@H]1C(=O)NC1C[NH+](CCCO)C1 ZINC001030234231 656298327 /nfs/dbraw/zinc/29/83/27/656298327.db2.gz UEQGYPAXWWZFCX-NSHDSACASA-N 1 2 257.334 -1.500 20 0 CAADLO C[C@H](O)C[NH+]1CC(NC(=O)CN2CCOCC2)C1 ZINC001030228741 656298465 /nfs/dbraw/zinc/29/84/65/656298465.db2.gz HGQCTKUAASKDIY-JTQLQIEISA-N 1 2 257.334 -1.500 20 0 CAADLO O=C(CN1CCOCC1)NC1C[NH+](CCCO)C1 ZINC001030229555 656298675 /nfs/dbraw/zinc/29/86/75/656298675.db2.gz RMGNCSXIXJRTKR-UHFFFAOYSA-N 1 2 257.334 -1.499 20 0 CAADLO COCC[NH+]1CC(NC(=O)[C@H]2COCCN2C)C1 ZINC001030234525 656298739 /nfs/dbraw/zinc/29/87/39/656298739.db2.gz ZBWRZBPFOSCMSF-LLVKDONJSA-N 1 2 257.334 -1.236 20 0 CAADLO C[C@H](O)C[NH+]1CC(NC(=O)CN2CN=NC2=O)C1 ZINC001030234991 656298748 /nfs/dbraw/zinc/29/87/48/656298748.db2.gz LMDQZHRQYHIUGD-ZETCQYMHSA-N 1 2 255.278 -1.835 20 0 CAADLO COCC[NH+]1CC(NC(=O)[C@@H]2COCCN2C)C1 ZINC001030234526 656298861 /nfs/dbraw/zinc/29/88/61/656298861.db2.gz ZBWRZBPFOSCMSF-NSHDSACASA-N 1 2 257.334 -1.236 20 0 CAADLO O=C(CN1CN=NC1=O)NC1C[NH+](CCn2cccn2)C1 ZINC001030238496 656299635 /nfs/dbraw/zinc/29/96/35/656299635.db2.gz GFDHLXCOGKMOQY-UHFFFAOYSA-N 1 2 291.315 -1.319 20 0 CAADLO C[C@H](O)C[NH+]1CC(NC(=O)c2cc(=O)n(C)o2)C1 ZINC001030256567 656300206 /nfs/dbraw/zinc/30/02/06/656300206.db2.gz ONYPQNPRYDCTFF-ZETCQYMHSA-N 1 2 255.274 -1.227 20 0 CAADLO Cn1oc(C(=O)NC2C[NH+](CCCO)C2)cc1=O ZINC001030252755 656300208 /nfs/dbraw/zinc/30/02/08/656300208.db2.gz BUMPWBOWMNZWCS-UHFFFAOYSA-N 1 2 255.274 -1.225 20 0 CAADLO COC[C@@H](C)[NH+]1CC(NC(=O)[C@@H]2COC(=O)N2)C1 ZINC001030266995 656300773 /nfs/dbraw/zinc/30/07/73/656300773.db2.gz FLDLHJMRQYYVAI-APPZFPTMSA-N 1 2 257.290 -1.070 20 0 CAADLO COC[C@H](C)[NH+]1CC(NC(=O)[C@H]2COC(=O)N2)C1 ZINC001030266997 656300801 /nfs/dbraw/zinc/30/08/01/656300801.db2.gz FLDLHJMRQYYVAI-IONNQARKSA-N 1 2 257.290 -1.070 20 0 CAADLO Cn1c[nH+]cc1CN1CC(NC(=O)[C@@H]2COC(=O)N2)C1 ZINC001030269279 656301214 /nfs/dbraw/zinc/30/12/14/656301214.db2.gz OHSXXCZLILRQQY-JTQLQIEISA-N 1 2 279.300 -1.171 20 0 CAADLO Cn1c[nH+]cc1CN1CC(NC(=O)[C@H]2COC(=O)N2)C1 ZINC001030269280 656301245 /nfs/dbraw/zinc/30/12/45/656301245.db2.gz OHSXXCZLILRQQY-SNVBAGLBSA-N 1 2 279.300 -1.171 20 0 CAADLO Cc1nnc(CC(=O)NC2C[NH+](C[C@@H](C)O)C2)[nH]1 ZINC001030291627 656302466 /nfs/dbraw/zinc/30/24/66/656302466.db2.gz DBAUJCILAQJIHB-SSDOTTSWSA-N 1 2 253.306 -1.163 20 0 CAADLO Cc1nnc(CC(=O)NC2C[NH+](CCCO)C2)[nH]1 ZINC001030291558 656302863 /nfs/dbraw/zinc/30/28/63/656302863.db2.gz AGNCSPCIMGESHS-UHFFFAOYSA-N 1 2 253.306 -1.162 20 0 CAADLO Cc1nnc(CC(=O)NC2C[NH+](C[C@H](C)O)C2)[nH]1 ZINC001030291628 656302876 /nfs/dbraw/zinc/30/28/76/656302876.db2.gz DBAUJCILAQJIHB-ZETCQYMHSA-N 1 2 253.306 -1.163 20 0 CAADLO COCCn1cc(C(=O)NC2C[NH+](CCCO)C2)nn1 ZINC001030294017 656303118 /nfs/dbraw/zinc/30/31/18/656303118.db2.gz ZRBYQVNEBMQCJC-UHFFFAOYSA-N 1 2 283.332 -1.279 20 0 CAADLO Cc1cccn(CC(=O)NC2C[NH+](CCO)C2)c1=O ZINC001030305272 656303406 /nfs/dbraw/zinc/30/34/06/656303406.db2.gz OBYFVQLYCGIAGI-UHFFFAOYSA-N 1 2 265.313 -1.051 20 0 CAADLO O=C(NC1C[NH+](CCO)C1)[C@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC001030309356 656303414 /nfs/dbraw/zinc/30/34/14/656303414.db2.gz HZUXXRIQXNAVFM-VIFPVBQESA-N 1 2 293.327 -1.445 20 0 CAADLO CC1(C)CC(=O)N(CC(=O)NC2C[NH+](CCO)C2)C1=O ZINC001030317988 656303943 /nfs/dbraw/zinc/30/39/43/656303943.db2.gz BJEGSDJEMZNSTR-UHFFFAOYSA-N 1 2 283.328 -1.436 20 0 CAADLO COC[C@@H](C)[NH+]1CC(NC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001030339293 656304378 /nfs/dbraw/zinc/30/43/78/656304378.db2.gz NJYMYXUXOYASDU-MRVPVSSYSA-N 1 2 296.331 -1.788 20 0 CAADLO Cn1c[nH+]cc1CN1CC(NC(=O)C2CS(=O)(=O)C2)C1 ZINC001030368662 656305511 /nfs/dbraw/zinc/30/55/11/656305511.db2.gz VWVMUYQFHUELCZ-UHFFFAOYSA-N 1 2 298.368 -1.235 20 0 CAADLO C[C@H](O)C[NH+]1CC(NC(=O)[C@H]2CC(=O)N(C)C2)C1 ZINC001030390623 656306635 /nfs/dbraw/zinc/30/66/35/656306635.db2.gz KCAFVZCLPMHDIJ-IUCAKERBSA-N 1 2 255.318 -1.354 20 0 CAADLO COCCN1C[C@@H](C(=O)NC2C[NH+](CCO)C2)CC1=O ZINC001030392654 656306688 /nfs/dbraw/zinc/30/66/88/656306688.db2.gz HVOSRGNNPIVMFE-JTQLQIEISA-N 1 2 285.344 -1.726 20 0 CAADLO COCCN1C[C@H](C(=O)NC2C[NH+](CCOC)C2)CC1=O ZINC001030392132 656306770 /nfs/dbraw/zinc/30/67/70/656306770.db2.gz CLDIISXKUBDFDB-LLVKDONJSA-N 1 2 299.371 -1.072 20 0 CAADLO COCCN1C[C@H](C(=O)NC2C[NH+](C[C@@H](C)O)C2)CC1=O ZINC001030394223 656306817 /nfs/dbraw/zinc/30/68/17/656306817.db2.gz XFNPBENSKFLEHR-GHMZBOCLSA-N 1 2 299.371 -1.338 20 0 CAADLO C[C@@H](O)C[NH+]1CC(NC(=O)[C@@H]2CC(=O)N(C)C2)C1 ZINC001030390625 656306846 /nfs/dbraw/zinc/30/68/46/656306846.db2.gz KCAFVZCLPMHDIJ-RKDXNWHRSA-N 1 2 255.318 -1.354 20 0 CAADLO COCCN1C[C@@H](C(=O)NC2C[NH+](C[C@@H](C)O)C2)CC1=O ZINC001030394224 656306938 /nfs/dbraw/zinc/30/69/38/656306938.db2.gz XFNPBENSKFLEHR-MNOVXSKESA-N 1 2 299.371 -1.338 20 0 CAADLO COCCN1C[C@@H](C(=O)NC2C[NH+](CCCO)C2)CC1=O ZINC001030394306 656306996 /nfs/dbraw/zinc/30/69/96/656306996.db2.gz YWWMTLGTUWHOAA-NSHDSACASA-N 1 2 299.371 -1.336 20 0 CAADLO COCCN1C[C@@H](C(=O)NC2C[NH+](CCOC)C2)CC1=O ZINC001030392134 656307004 /nfs/dbraw/zinc/30/70/04/656307004.db2.gz CLDIISXKUBDFDB-NSHDSACASA-N 1 2 299.371 -1.072 20 0 CAADLO C[C@H](O)C[NH+]1CC(NC(=O)[C@@H]2CC(=O)N(C)C2)C1 ZINC001030390621 656307031 /nfs/dbraw/zinc/30/70/31/656307031.db2.gz KCAFVZCLPMHDIJ-DTWKUNHWSA-N 1 2 255.318 -1.354 20 0 CAADLO C[C@H](C(=O)NC1C[NH+](C[C@H](C)O)C1)N1C(=O)CCC1=O ZINC001030397310 656307318 /nfs/dbraw/zinc/30/73/18/656307318.db2.gz XZRBEUICBYBLGT-DTWKUNHWSA-N 1 2 283.328 -1.295 20 0 CAADLO C[C@H](O)C[NH+]1CC(NC(=O)[C@H](C)N2C(=O)CCC2=O)C1 ZINC001030397311 656307455 /nfs/dbraw/zinc/30/74/55/656307455.db2.gz XZRBEUICBYBLGT-IUCAKERBSA-N 1 2 283.328 -1.295 20 0 CAADLO COCC[NH+]1CC(NC(=O)[C@@H](C)N2C(=O)CCC2=O)C1 ZINC001030396905 656307493 /nfs/dbraw/zinc/30/74/93/656307493.db2.gz PVZLYQPXFQVPQR-SECBINFHSA-N 1 2 283.328 -1.029 20 0 CAADLO CN1C[C@H](C(=O)NC2C[NH+](CCCO)C2)CC1=O ZINC001030393366 656307584 /nfs/dbraw/zinc/30/75/84/656307584.db2.gz NLUCXGIVNNKDTQ-SECBINFHSA-N 1 2 255.318 -1.353 20 0 CAADLO Cn1c(=O)ccn(CC(=O)NC2C[NH+](CCO)C2)c1=O ZINC001030399616 656307906 /nfs/dbraw/zinc/30/79/06/656307906.db2.gz ZKWZELSGFOCGOJ-UHFFFAOYSA-N 1 2 282.300 -2.660 20 0 CAADLO COCC[NH+]1CC(NC(=O)CN2CCCS2(=O)=O)C1 ZINC001030403593 656308281 /nfs/dbraw/zinc/30/82/81/656308281.db2.gz XLNBWUOJLLNSBE-UHFFFAOYSA-N 1 2 291.373 -1.531 20 0 CAADLO NC(=O)C(=O)N[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1O ZINC000991727530 656309302 /nfs/dbraw/zinc/30/93/02/656309302.db2.gz JYWMOEXCOFDDOU-YUMQZZPRSA-N 1 2 295.299 -2.485 20 0 CAADLO NC(=O)C(=O)N[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1O ZINC000991727525 656309428 /nfs/dbraw/zinc/30/94/28/656309428.db2.gz JYWMOEXCOFDDOU-JGVFFNPUSA-N 1 2 295.299 -2.485 20 0 CAADLO CC(C)[C@H](NC=O)C(=O)N1CC[N@H+](C)[C@H](CO)C1 ZINC000913556299 656321632 /nfs/dbraw/zinc/32/16/32/656321632.db2.gz WLPXWIFIPSGIRZ-QWRGUYRKSA-N 1 2 257.334 -1.108 20 0 CAADLO COC[C@@H](C)[NH+]1CC(NC(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001030461282 656312799 /nfs/dbraw/zinc/31/27/99/656312799.db2.gz JAIWNGWOQRIAQJ-APPZFPTMSA-N 1 2 284.316 -1.580 20 0 CAADLO COC[C@H](C)[NH+]1CC(NC(=O)CN2CCOCC2=O)C1 ZINC001030449564 656312833 /nfs/dbraw/zinc/31/28/33/656312833.db2.gz LSBSKKLYXOVHJW-JTQLQIEISA-N 1 2 285.344 -1.320 20 0 CAADLO O=C(CN1CCOCC1=O)NC1C[NH+](CCCO)C1 ZINC001030449156 656312856 /nfs/dbraw/zinc/31/28/56/656312856.db2.gz AKSHTOHIADKPDC-UHFFFAOYSA-N 1 2 271.317 -1.972 20 0 CAADLO CC(C)[C@H](NC=O)C(=O)N1CC[N@@H+](C)[C@H](CO)C1 ZINC000913556299 656321636 /nfs/dbraw/zinc/32/16/36/656321636.db2.gz WLPXWIFIPSGIRZ-QWRGUYRKSA-N 1 2 257.334 -1.108 20 0 CAADLO O=C(C[C@@H]1NC(=O)NC1=O)NC1C[NH+](CCCO)C1 ZINC001030461823 656313375 /nfs/dbraw/zinc/31/33/75/656313375.db2.gz ZXRHXRBBXMEFJJ-QMMMGPOBSA-N 1 2 270.289 -2.233 20 0 CAADLO NC(=O)CN1CC(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001030469208 656313418 /nfs/dbraw/zinc/31/34/18/656313418.db2.gz AXGFKKPCRXWHBM-RKDXNWHRSA-N 1 2 263.301 -1.201 20 0 CAADLO NC(=O)CN1CC(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001030469208 656313419 /nfs/dbraw/zinc/31/34/19/656313419.db2.gz AXGFKKPCRXWHBM-RKDXNWHRSA-N 1 2 263.301 -1.201 20 0 CAADLO C[C@@H](O)C[NH+]1CC(NC(=O)[C@H]2OCCO[C@H]2C)C1 ZINC001030466032 656313465 /nfs/dbraw/zinc/31/34/65/656313465.db2.gz QKWLHSIVFDUQBP-YWVKMMECSA-N 1 2 258.318 -1.029 20 0 CAADLO C[C@H](O)C[NH+]1CC(NC(=O)[C@H]2OCCO[C@H]2C)C1 ZINC001030466031 656313634 /nfs/dbraw/zinc/31/36/34/656313634.db2.gz QKWLHSIVFDUQBP-QXEWZRGKSA-N 1 2 258.318 -1.029 20 0 CAADLO O=C(C[C@@H]1NC(=O)NC1=O)NC1C[NH+](CCO)C1 ZINC001030461466 656313642 /nfs/dbraw/zinc/31/36/42/656313642.db2.gz OGJYLMDCMAVMRD-ZETCQYMHSA-N 1 2 256.262 -2.623 20 0 CAADLO C[C@H](O)C[NH+]1CC(NC(=O)[C@H]2CCCNC2=O)C1 ZINC001030478620 656314166 /nfs/dbraw/zinc/31/41/66/656314166.db2.gz OAVQJHRMRSIVIT-WPRPVWTQSA-N 1 2 255.318 -1.306 20 0 CAADLO C[C@H](O)C[NH+]1CC(NC(=O)[C@H]2CCCC(=O)N2)C1 ZINC001030492454 656314488 /nfs/dbraw/zinc/31/44/88/656314488.db2.gz UTTBPODSFWUHKL-WCBMZHEXSA-N 1 2 255.318 -1.164 20 0 CAADLO COc1cc[nH+]cc1CC(=O)NC1CN(CC(N)=O)C1 ZINC001030513986 656315792 /nfs/dbraw/zinc/31/57/92/656315792.db2.gz BZGMVHMZBPIVDM-UHFFFAOYSA-N 1 2 278.312 -1.082 20 0 CAADLO O=C(NC1C[NH+](CCCO)C1)[C@@H]1CCC2N=NC(=O)N2C1 ZINC001030546331 656316080 /nfs/dbraw/zinc/31/60/80/656316080.db2.gz HTKOGKNEMYFDSB-SECBINFHSA-N 1 2 295.343 -1.271 20 0 CAADLO COCC[NH+]1CC(NC(=O)[C@H]2CCC3N=NC(=O)N3C2)C1 ZINC001030546997 656316120 /nfs/dbraw/zinc/31/61/20/656316120.db2.gz WNPADYOVTJCCFU-VIFPVBQESA-N 1 2 295.343 -1.007 20 0 CAADLO CNC(=O)CN1CC(NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001030544219 656316179 /nfs/dbraw/zinc/31/61/79/656316179.db2.gz FKBBPDHRDVQNJM-JTQLQIEISA-N 1 2 291.355 -1.008 20 0 CAADLO O=C(NC1C[NH+](CCO)C1)[C@H]1CCC2N=NC(=O)N2C1 ZINC001030546961 656316307 /nfs/dbraw/zinc/31/63/07/656316307.db2.gz VJJLPASANHSQDY-QMMMGPOBSA-N 1 2 281.316 -1.661 20 0 CAADLO C[C@H](O)C[NH+]1CC(NC(=O)[C@@H]2CCC3N=NC(=O)N3C2)C1 ZINC001030545888 656316396 /nfs/dbraw/zinc/31/63/96/656316396.db2.gz ARPFPOFPXZMOIT-DTWKUNHWSA-N 1 2 295.343 -1.273 20 0 CAADLO NC(=O)CN1CC(NC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001030555725 656316664 /nfs/dbraw/zinc/31/66/64/656316664.db2.gz YQYKXFTWVLYIDP-VIFPVBQESA-N 1 2 277.328 -1.269 20 0 CAADLO CCN1CCOC[C@H]1C(=O)NC1C[NH+](CCO)C1 ZINC001030573665 656316678 /nfs/dbraw/zinc/31/66/78/656316678.db2.gz NNGQANNAWYJIET-NSHDSACASA-N 1 2 257.334 -1.500 20 0 CAADLO COCC[NH+]1CC(NC(=O)CN2CCN(C)C(=O)C2)C1 ZINC001030558671 656316834 /nfs/dbraw/zinc/31/68/34/656316834.db2.gz UWKPGNQIWKSTRX-UHFFFAOYSA-N 1 2 284.360 -1.793 20 0 CAADLO COC[C@@H](C)[NH+]1CC(NC(=O)CN2CCN(C)C(=O)C2)C1 ZINC001030556835 656316995 /nfs/dbraw/zinc/31/69/95/656316995.db2.gz GAPJOOINAQBIMV-LLVKDONJSA-N 1 2 298.387 -1.404 20 0 CAADLO NC(=O)CN1CC(NC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001030552692 656317023 /nfs/dbraw/zinc/31/70/23/656317023.db2.gz NGJLFRQBVYNJQR-VIFPVBQESA-N 1 2 277.328 -1.269 20 0 CAADLO Cn1cnn(CC(=O)NC2C[NH+](CCCO)C2)c1=O ZINC001030575410 656317055 /nfs/dbraw/zinc/31/70/55/656317055.db2.gz QTILLBUIFVGZJQ-UHFFFAOYSA-N 1 2 269.305 -2.235 20 0 CAADLO C[C@H](O)C[NH+]1CC(NC(=O)[C@@H]2CCC(=O)NC2)C1 ZINC001030590065 656317214 /nfs/dbraw/zinc/31/72/14/656317214.db2.gz JQMXPBWXNXCJJA-DTWKUNHWSA-N 1 2 255.318 -1.306 20 0 CAADLO CCN1CCOC[C@H]1C(=O)NC1C[NH+](CCCO)C1 ZINC001030574232 656317547 /nfs/dbraw/zinc/31/75/47/656317547.db2.gz XKFYKQLGKOSHHP-LBPRGKRZSA-N 1 2 271.361 -1.110 20 0 CAADLO COCC[NH+]1CC(NC(=O)Cn2ncn(C)c2=O)C1 ZINC001030574505 656317580 /nfs/dbraw/zinc/31/75/80/656317580.db2.gz DFVRNEIHBADKNI-UHFFFAOYSA-N 1 2 269.305 -1.971 20 0 CAADLO CCN1CCOC[C@H]1C(=O)NC1C[NH+](C[C@H](C)O)C1 ZINC001030578340 656317600 /nfs/dbraw/zinc/31/76/00/656317600.db2.gz VGEMGOLEUBACSJ-JQWIXIFHSA-N 1 2 271.361 -1.112 20 0 CAADLO C[C@@H](O)C[NH+]1CC(NC(=O)[C@@H]2CCC(=O)NC2)C1 ZINC001030590067 656318093 /nfs/dbraw/zinc/31/80/93/656318093.db2.gz JQMXPBWXNXCJJA-RKDXNWHRSA-N 1 2 255.318 -1.306 20 0 CAADLO O=C(Cn1ncnn1)NC1CN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000991875075 656319673 /nfs/dbraw/zinc/31/96/73/656319673.db2.gz CPJAHIKNTCYGDM-UHFFFAOYSA-N 1 2 290.287 -2.034 20 0 CAADLO C[C@H](O)C[NH+]1CC(NC(=O)CN2CCCNC2=O)C1 ZINC001030605894 656320193 /nfs/dbraw/zinc/32/01/93/656320193.db2.gz NIUUXQQDSFCXAB-VIFPVBQESA-N 1 2 270.333 -1.417 20 0 CAADLO C[C@@H](O)C[NH+]1CC(NC(=O)CN2CCCNC2=O)C1 ZINC001030605893 656320218 /nfs/dbraw/zinc/32/02/18/656320218.db2.gz NIUUXQQDSFCXAB-SECBINFHSA-N 1 2 270.333 -1.417 20 0 CAADLO C[C@@H](O)C[NH+]1CC(NC(=O)c2cc(C(N)=O)cn2C)C1 ZINC001030619909 656320566 /nfs/dbraw/zinc/32/05/66/656320566.db2.gz NPKSUCSYKBECFW-MRVPVSSYSA-N 1 2 280.328 -1.081 20 0 CAADLO COCC[NH+]1CC(NC(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001030625185 656320763 /nfs/dbraw/zinc/32/07/63/656320763.db2.gz HFKOMADPFZTQCB-UHFFFAOYSA-N 1 2 282.300 -1.604 20 0 CAADLO O=C(C[C@@H]1CCCC(=O)N1)NC1C[NH+](CCO)C1 ZINC001030651066 656321559 /nfs/dbraw/zinc/32/15/59/656321559.db2.gz OSWWNFCCDLWJII-VIFPVBQESA-N 1 2 255.318 -1.162 20 0 CAADLO C[C@@H](O)C[NH+]1CC(NC(=O)c2cn(C)c(=O)cn2)C1 ZINC001030705074 656324279 /nfs/dbraw/zinc/32/42/79/656324279.db2.gz ZFMIAAXJVCGKJR-MRVPVSSYSA-N 1 2 266.301 -1.425 20 0 CAADLO Cc1nc2n(n1)C[C@H](C(=O)NC1C[NH+](CCO)C1)CC2 ZINC001030722348 656324757 /nfs/dbraw/zinc/32/47/57/656324757.db2.gz WUXHSBUYUJJFFW-SNVBAGLBSA-N 1 2 279.344 -1.058 20 0 CAADLO C[C@]1(C(=O)NC2C[NH+](CCCO)C2)CNC(=O)C1 ZINC001030727129 656324921 /nfs/dbraw/zinc/32/49/21/656324921.db2.gz OWNLOGRWPOHOGN-GFCCVEGCSA-N 1 2 255.318 -1.305 20 0 CAADLO COCC[NH+]1CC(NC(=O)[C@@H]2Cc3cncn3C(=O)N2)C1 ZINC001030724366 656325043 /nfs/dbraw/zinc/32/50/43/656325043.db2.gz AXWKCLBGUYFMKU-NSHDSACASA-N 1 2 293.327 -1.188 20 0 CAADLO COCC[NH+]1CC(NC(=O)[C@@]2(C)CNC(=O)C2)C1 ZINC001030727181 656325265 /nfs/dbraw/zinc/32/52/65/656325265.db2.gz PNZCOQSGMOTXRV-GFCCVEGCSA-N 1 2 255.318 -1.041 20 0 CAADLO CO[C@H]1C[C@H](C(=O)NC2C[NH+](CCCO)C2)N(C(C)=O)C1 ZINC001030749320 656326088 /nfs/dbraw/zinc/32/60/88/656326088.db2.gz YFUQOYKMDKBHDE-QWHCGFSZSA-N 1 2 299.371 -1.195 20 0 CAADLO O=C(NC1C[NH+](CCO)C1)[C@H]1CCNC(=O)CC1 ZINC001030745239 656326263 /nfs/dbraw/zinc/32/62/63/656326263.db2.gz YJLQHQWUUYHSMJ-SECBINFHSA-N 1 2 255.318 -1.305 20 0 CAADLO Cn1c(=O)[nH]cc(C(=O)NC2C[NH+](CCO)C2)c1=O ZINC001030779256 656326488 /nfs/dbraw/zinc/32/64/88/656326488.db2.gz SCUMNXIAPADBAQ-UHFFFAOYSA-N 1 2 268.273 -2.108 20 0 CAADLO C[C@H](O)C[NH+]1CC(NC(=O)c2ccn3nnnc3c2)C1 ZINC001030783113 656327379 /nfs/dbraw/zinc/32/73/79/656327379.db2.gz IKLIANJOJKSDBA-QMMMGPOBSA-N 1 2 276.300 -1.081 20 0 CAADLO C[C@@H](O)C[NH+]1CC(NC(=O)c2ccn3nnnc3c2)C1 ZINC001030783108 656327670 /nfs/dbraw/zinc/32/76/70/656327670.db2.gz IKLIANJOJKSDBA-MRVPVSSYSA-N 1 2 276.300 -1.081 20 0 CAADLO COC[C@H](C)[NH+]1CC(NC(=O)CN2CCNC(=O)C2)C1 ZINC001030787745 656328307 /nfs/dbraw/zinc/32/83/07/656328307.db2.gz OLCAGCDKLARDGW-JTQLQIEISA-N 1 2 284.360 -1.747 20 0 CAADLO Cn1nccc1CC[NH+]1CC(NC(=O)[C@H]2CCNC2=O)C1 ZINC001030790164 656328649 /nfs/dbraw/zinc/32/86/49/656328649.db2.gz BVKXXANJLPHJDY-LBPRGKRZSA-N 1 2 291.355 -1.101 20 0 CAADLO CN1C[C@@H](C(=O)NC2C[NH+](CCn3cccn3)C2)NC1=O ZINC001030790919 656328730 /nfs/dbraw/zinc/32/87/30/656328730.db2.gz MUGFLTKYEHHMKW-NSHDSACASA-N 1 2 292.343 -1.293 20 0 CAADLO CN1C[C@@H](C(=O)NC2C[NH+](CCCO)C2)NC1=O ZINC001030790334 656328983 /nfs/dbraw/zinc/32/89/83/656328983.db2.gz DGUSZPYESAMYKP-VIFPVBQESA-N 1 2 256.306 -1.807 20 0 CAADLO NC(=O)[C@H]1CC[C@H]1C(=O)NC1C[NH+](CCCO)C1 ZINC001030791277 656329211 /nfs/dbraw/zinc/32/92/11/656329211.db2.gz BFLBIGZRSVASTE-VHSXEESVSA-N 1 2 255.318 -1.319 20 0 CAADLO O=C(NC1C[NH+](CCn2cccn2)C1)[C@H]1CCNC1=O ZINC001030792107 656329276 /nfs/dbraw/zinc/32/92/76/656329276.db2.gz HPVYNWXFYQCZCW-NSHDSACASA-N 1 2 277.328 -1.180 20 0 CAADLO COC[C@H](C)[NH+]1CC(NC(=O)[C@H]2CCNC2=O)C1 ZINC001030791298 656329531 /nfs/dbraw/zinc/32/95/31/656329531.db2.gz BPTOQEDWQHLUND-WPRPVWTQSA-N 1 2 255.318 -1.042 20 0 CAADLO NC(=O)[C@H]1CC[C@@H]1C(=O)NC1C[NH+](CCCO)C1 ZINC001030791276 656329537 /nfs/dbraw/zinc/32/95/37/656329537.db2.gz BFLBIGZRSVASTE-UWVGGRQHSA-N 1 2 255.318 -1.319 20 0 CAADLO NC(=O)[C@@H]1CC[C@@H]1C(=O)NC1C[NH+](CCCO)C1 ZINC001030791278 656329635 /nfs/dbraw/zinc/32/96/35/656329635.db2.gz BFLBIGZRSVASTE-ZJUUUORDSA-N 1 2 255.318 -1.319 20 0 CAADLO COC[C@@H](C)[NH+]1CC(NC(=O)[C@H]2CCNC2=O)C1 ZINC001030791296 656329641 /nfs/dbraw/zinc/32/96/41/656329641.db2.gz BPTOQEDWQHLUND-SCZZXKLOSA-N 1 2 255.318 -1.042 20 0 CAADLO COCC[NH+]1CC(NC(=O)[C@@H]2CC[C@H]2C(N)=O)C1 ZINC001030792619 656329646 /nfs/dbraw/zinc/32/96/46/656329646.db2.gz QJIALKNAGFLYDD-NXEZZACHSA-N 1 2 255.318 -1.055 20 0 CAADLO CO[C@H](C)C[NH+]1CC(NC(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC001030793164 656330158 /nfs/dbraw/zinc/33/01/58/656330158.db2.gz JGSOUGRNMOISLI-SCZZXKLOSA-N 1 2 270.333 -1.155 20 0 CAADLO CO[C@@H](C)C[NH+]1CC(NC(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC001030793165 656330335 /nfs/dbraw/zinc/33/03/35/656330335.db2.gz JGSOUGRNMOISLI-WCBMZHEXSA-N 1 2 270.333 -1.155 20 0 CAADLO Cn1c[nH+]cc1CN1CC(NC(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC001030795153 656330745 /nfs/dbraw/zinc/33/07/45/656330745.db2.gz MBDDJQREHSVMNH-NSHDSACASA-N 1 2 292.343 -1.256 20 0 CAADLO Cn1nncc1C[N@@H+]1CC[C@]2(NC(=O)C(N)=O)CCC[C@H]12 ZINC000992158363 656330975 /nfs/dbraw/zinc/33/09/75/656330975.db2.gz IIZWRTKPXVUZDL-GXFFZTMASA-N 1 2 292.343 -1.086 20 0 CAADLO Cn1nncc1C[N@H+]1CC[C@]2(NC(=O)C(N)=O)CCC[C@H]12 ZINC000992158363 656330978 /nfs/dbraw/zinc/33/09/78/656330978.db2.gz IIZWRTKPXVUZDL-GXFFZTMASA-N 1 2 292.343 -1.086 20 0 CAADLO COC[C@H](C)[NH+]1CC(NC(=O)c2nnn(C)n2)C1 ZINC001030802254 656331209 /nfs/dbraw/zinc/33/12/09/656331209.db2.gz RENGWKIYMPWLQN-ZETCQYMHSA-N 1 2 254.294 -1.341 20 0 CAADLO C[C@H](O)C[NH+]1CC(NC(=O)[C@@H]2CCN(C)C2=O)C1 ZINC001030814085 656331804 /nfs/dbraw/zinc/33/18/04/656331804.db2.gz KGXNEUYOIFGQHV-WPRPVWTQSA-N 1 2 255.318 -1.354 20 0 CAADLO COCC[NH+]1CC(NC(=O)[C@@H]2CCN(C)C2=O)C1 ZINC001030812338 656332223 /nfs/dbraw/zinc/33/22/23/656332223.db2.gz MAJDZIHPYAISOS-JTQLQIEISA-N 1 2 255.318 -1.089 20 0 CAADLO C[C@@H](O)C[NH+]1CC(NC(=O)[C@H]2CCC(=O)N2C)C1 ZINC001030828942 656332616 /nfs/dbraw/zinc/33/26/16/656332616.db2.gz AEGNHAMGUJUNDC-PSASIEDQSA-N 1 2 255.318 -1.212 20 0 CAADLO CN1C(=O)CC[C@@H]1C(=O)NC1C[NH+](CCCO)C1 ZINC001030830355 656332776 /nfs/dbraw/zinc/33/27/76/656332776.db2.gz KZEJRWRKOMKULV-SNVBAGLBSA-N 1 2 255.318 -1.210 20 0 CAADLO Cn1nnc2c1C[C@H](C(=O)NC1C[NH+](CCO)C1)CC2 ZINC001030849736 656333746 /nfs/dbraw/zinc/33/37/46/656333746.db2.gz ILELKXMEXSNQAK-SECBINFHSA-N 1 2 279.344 -1.287 20 0 CAADLO C[C@H](O)C[NH+]1CC(NC(=O)c2c[nH]c(=O)cn2)C1 ZINC001030861363 656334003 /nfs/dbraw/zinc/33/40/03/656334003.db2.gz SEGHTYAPDCSUAJ-ZETCQYMHSA-N 1 2 252.274 -1.435 20 0 CAADLO Cn1nccc1CC[NH+]1CC(NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001030877494 656334590 /nfs/dbraw/zinc/33/45/90/656334590.db2.gz OOGJFTMZNNMJFV-NSHDSACASA-N 1 2 292.343 -1.556 20 0 CAADLO Cn1nccc1CC[NH+]1CC(NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001030877493 656334612 /nfs/dbraw/zinc/33/46/12/656334612.db2.gz OOGJFTMZNNMJFV-LLVKDONJSA-N 1 2 292.343 -1.556 20 0 CAADLO CO[C@H](C)C[NH+]1CC(NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001030878370 656335597 /nfs/dbraw/zinc/33/55/97/656335597.db2.gz OGPQXHRRZKJBKX-APPZFPTMSA-N 1 2 256.306 -1.497 20 0 CAADLO CO[C@H](C)C[NH+]1CC(NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001030878373 656335707 /nfs/dbraw/zinc/33/57/07/656335707.db2.gz OGPQXHRRZKJBKX-VXNVDRBHSA-N 1 2 256.306 -1.497 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@]2(NC(=O)Cc3nnc[nH]3)CCC[C@H]12 ZINC000992401080 656337772 /nfs/dbraw/zinc/33/77/72/656337772.db2.gz DXBXUWIOPBMXJK-TVQRCGJNSA-N 1 2 292.343 -1.054 20 0 CAADLO NC(=O)C[N@H+]1CC[C@]2(NC(=O)Cc3nnc[nH]3)CCC[C@H]12 ZINC000992401080 656337776 /nfs/dbraw/zinc/33/77/76/656337776.db2.gz DXBXUWIOPBMXJK-TVQRCGJNSA-N 1 2 292.343 -1.054 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@]2(NC(=O)Cc3nnc[nH]3)CCC[C@@H]12 ZINC000992401076 656338076 /nfs/dbraw/zinc/33/80/76/656338076.db2.gz DXBXUWIOPBMXJK-RNCFNFMXSA-N 1 2 292.343 -1.054 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@]2(NC(=O)Cc3nnc[nH]3)CCC[C@@H]12 ZINC000992401076 656338080 /nfs/dbraw/zinc/33/80/80/656338080.db2.gz DXBXUWIOPBMXJK-RNCFNFMXSA-N 1 2 292.343 -1.054 20 0 CAADLO COCC[NH+]1CC(NC(=O)[C@@]2(C)CCNC2=O)C1 ZINC001030946540 656340317 /nfs/dbraw/zinc/34/03/17/656340317.db2.gz IJFVXDDFRMPANS-LBPRGKRZSA-N 1 2 255.318 -1.041 20 0 CAADLO C[C@@H](O)C[NH+]1CC(NC(=O)[C@@]2(C)CCNC2=O)C1 ZINC001030947186 656340780 /nfs/dbraw/zinc/34/07/80/656340780.db2.gz QTNGLNTVFSSTDW-PELKAZGASA-N 1 2 255.318 -1.306 20 0 CAADLO C[C@@H](O)C[NH+]1CC(NC(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)C1 ZINC001030949488 656340799 /nfs/dbraw/zinc/34/07/99/656340799.db2.gz NEZAXDQRHMHTDM-JLLWLGSASA-N 1 2 299.371 -1.197 20 0 CAADLO C[C@]1(C(=O)NC2C[NH+](CCCO)C2)CCNC1=O ZINC001030948275 656341059 /nfs/dbraw/zinc/34/10/59/656341059.db2.gz GAKYNNACWSIWEW-LBPRGKRZSA-N 1 2 255.318 -1.305 20 0 CAADLO COC[C@@H](C)[NH+]1CC(NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001030947989 656341089 /nfs/dbraw/zinc/34/10/89/656341089.db2.gz NDLGJCXHDPBIIJ-DVVUODLYSA-N 1 2 285.344 -1.145 20 0 CAADLO CNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)CN2CCOCC2)C1 ZINC001007117012 656341736 /nfs/dbraw/zinc/34/17/36/656341736.db2.gz MYUSCINJTVPCLD-GFCCVEGCSA-N 1 2 298.387 -1.355 20 0 CAADLO CNC(=O)C[N@H+]1CCC[C@@H](NC(=O)CN2CCOCC2)C1 ZINC001007117012 656341741 /nfs/dbraw/zinc/34/17/41/656341741.db2.gz MYUSCINJTVPCLD-GFCCVEGCSA-N 1 2 298.387 -1.355 20 0 CAADLO CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)NC1C[NH+](CCCO)C1 ZINC001030966303 656342553 /nfs/dbraw/zinc/34/25/53/656342553.db2.gz PUWRXEMJACAWRX-WDEREUQCSA-N 1 2 269.345 -1.107 20 0 CAADLO NC(=O)[C@@H]1C[C@@H]1C(=O)NC1C[NH+](CCn2cccn2)C1 ZINC001030965634 656342622 /nfs/dbraw/zinc/34/26/22/656342622.db2.gz POMVVYMHLTWJRU-MNOVXSKESA-N 1 2 277.328 -1.195 20 0 CAADLO Cn1nccc1CC[NH+]1CC(NC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001030967401 656342687 /nfs/dbraw/zinc/34/26/87/656342687.db2.gz VFSUTMSEKQLJRV-NEPJUHHUSA-N 1 2 291.355 -1.116 20 0 CAADLO COC[C@@H](C)[NH+]1CC(NC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001030968890 656343051 /nfs/dbraw/zinc/34/30/51/656343051.db2.gz GKCRDKQQUZKODS-QNSHHTMESA-N 1 2 255.318 -1.057 20 0 CAADLO O=C(NC1C[NH+](CCO)C1)[C@@H]1CCc2nnnn2CC1 ZINC001030986565 656343765 /nfs/dbraw/zinc/34/37/65/656343765.db2.gz PGUIBEWMZMSTMQ-SECBINFHSA-N 1 2 280.332 -1.582 20 0 CAADLO C[C@H](O)C[NH+]1CC(NC(=O)[C@H]2CCc3nnnn3CC2)C1 ZINC001030985045 656343890 /nfs/dbraw/zinc/34/38/90/656343890.db2.gz URGJHQMAPMATEK-UWVGGRQHSA-N 1 2 294.359 -1.193 20 0 CAADLO C[C@H]1[C@@H](NC(=O)Cc2c[nH]c[nH+]2)CCCN1C(=O)C(N)=O ZINC001015266284 656344543 /nfs/dbraw/zinc/34/45/43/656344543.db2.gz QVMHTKIAORETNV-WPRPVWTQSA-N 1 2 293.327 -1.067 20 0 CAADLO O=C(Cc1c[nH]c[nH+]1)NC1CN([C@@H]2CCC(=O)NC2=O)C1 ZINC001031016643 656345201 /nfs/dbraw/zinc/34/52/01/656345201.db2.gz QTCKYZACFXNNMF-SNVBAGLBSA-N 1 2 291.311 -1.442 20 0 CAADLO COC[C@H](C)[NH+]1CC(NC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001031021699 656345234 /nfs/dbraw/zinc/34/52/34/656345234.db2.gz GJBIGYFAFQJCFH-CBAPKCEASA-N 1 2 284.316 -1.580 20 0 CAADLO O=C(Cc1c[nH]c[nH+]1)NC1CN([C@H]2CCNC2=O)C1 ZINC001031017405 656345247 /nfs/dbraw/zinc/34/52/47/656345247.db2.gz ZYQPOYDTDDUEAD-JTQLQIEISA-N 1 2 263.301 -1.359 20 0 CAADLO CO[C@@H](C)C[NH+]1CC(NC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001031026721 656345310 /nfs/dbraw/zinc/34/53/10/656345310.db2.gz ZHYUMOYIBZBKFW-CBAPKCEASA-N 1 2 284.316 -1.580 20 0 CAADLO O=C(Cc1c[nH]c[nH+]1)NC1CN(CC(=O)N2CCC2)C1 ZINC001031017251 656345326 /nfs/dbraw/zinc/34/53/26/656345326.db2.gz ULGRZISQPKQMFR-UHFFFAOYSA-N 1 2 277.328 -1.015 20 0 CAADLO COC[C@@H](C)[NH+]1CC(NC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001031021698 656345437 /nfs/dbraw/zinc/34/54/37/656345437.db2.gz GJBIGYFAFQJCFH-APPZFPTMSA-N 1 2 284.316 -1.580 20 0 CAADLO C[C@H](C(N)=O)N1CC(NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001031015790 656345534 /nfs/dbraw/zinc/34/55/34/656345534.db2.gz OKADSHLGQRQMQE-SSDOTTSWSA-N 1 2 251.290 -1.374 20 0 CAADLO Cn1cc(C(=O)NC2C[NH+](CCO)C2)c(=O)n(C)c1=O ZINC001031040826 656346439 /nfs/dbraw/zinc/34/64/39/656346439.db2.gz QEEAUFQBFLFBOC-UHFFFAOYSA-N 1 2 282.300 -2.510 20 0 CAADLO CN1C(=O)C(=O)N(CC(=O)NC2C[NH+](CCCO)C2)C1=O ZINC001031042051 656347139 /nfs/dbraw/zinc/34/71/39/656347139.db2.gz JGUOJCUQFRAORH-UHFFFAOYSA-N 1 2 298.299 -2.410 20 0 CAADLO O=S(=O)([C@@H]1COC[C@H]1O)N1CC[NH+](CCCO)CC1 ZINC000914327962 656347323 /nfs/dbraw/zinc/34/73/23/656347323.db2.gz CIHYELJNGLHNJO-GHMZBOCLSA-N 1 2 294.373 -1.924 20 0 CAADLO C[C@@H](O)C[NH+]1CC(NC(=O)CN2C(=O)C(=O)N(C)C2=O)C1 ZINC001031042694 656347399 /nfs/dbraw/zinc/34/73/99/656347399.db2.gz ZBPKEHQENMUOTF-SSDOTTSWSA-N 1 2 298.299 -2.412 20 0 CAADLO CC[NH+]1CC(NC(=O)C2(n3cnnn3)CCOCC2)C1 ZINC001031083942 656348960 /nfs/dbraw/zinc/34/89/60/656348960.db2.gz ZXLIADCZYWETPY-UHFFFAOYSA-N 1 2 280.332 -1.001 20 0 CAADLO CC(C)c1nnnn1CC(=O)NC1C[NH+](CCO)C1 ZINC001031073076 656349156 /nfs/dbraw/zinc/34/91/56/656349156.db2.gz MXMADXNJKBWCQN-UHFFFAOYSA-N 1 2 268.321 -1.411 20 0 CAADLO COCC[NH+]1CC(NC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001031097723 656349231 /nfs/dbraw/zinc/34/92/31/656349231.db2.gz HIQWZRWOARYXTR-UHFFFAOYSA-N 1 2 269.301 -1.514 20 0 CAADLO COC[C@@H](C)[NH+]1CC(NC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001031099344 656349265 /nfs/dbraw/zinc/34/92/65/656349265.db2.gz FEXLSWNGNAEAKO-MRVPVSSYSA-N 1 2 283.328 -1.126 20 0 CAADLO C[C@@H](O)C[NH+]1CC(NC(=O)C[C@H]2CCC(=O)N2)C1 ZINC001031093694 656349532 /nfs/dbraw/zinc/34/95/32/656349532.db2.gz JIJLQYKTTDGVNU-RKDXNWHRSA-N 1 2 255.318 -1.164 20 0 CAADLO COC[C@H](C)[NH+]1CC(NC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001031099345 656349608 /nfs/dbraw/zinc/34/96/08/656349608.db2.gz FEXLSWNGNAEAKO-QMMMGPOBSA-N 1 2 283.328 -1.126 20 0 CAADLO C[C@H](O)C[NH+]1CC(NC(=O)CN2CC(=O)NC2=O)C1 ZINC001031117178 656349936 /nfs/dbraw/zinc/34/99/36/656349936.db2.gz KNFIQOSLLWDOCB-ZETCQYMHSA-N 1 2 270.289 -2.281 20 0 CAADLO C[C@@H](O)C[NH+]1CC(NC(=O)CN2CC(=O)NC2=O)C1 ZINC001031117176 656349993 /nfs/dbraw/zinc/34/99/93/656349993.db2.gz KNFIQOSLLWDOCB-SSDOTTSWSA-N 1 2 270.289 -2.281 20 0 CAADLO Cc1nn[nH]c1C(=O)N[C@@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001015479452 656350042 /nfs/dbraw/zinc/35/00/42/656350042.db2.gz JPLYOWIWVBVHJV-RKDXNWHRSA-N 1 2 278.316 -1.194 20 0 CAADLO Cc1nn[nH]c1C(=O)N[C@@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001015479452 656350046 /nfs/dbraw/zinc/35/00/46/656350046.db2.gz JPLYOWIWVBVHJV-RKDXNWHRSA-N 1 2 278.316 -1.194 20 0 CAADLO Cc1nn[nH]c1C(=O)N[C@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001015479450 656350209 /nfs/dbraw/zinc/35/02/09/656350209.db2.gz JPLYOWIWVBVHJV-DTWKUNHWSA-N 1 2 278.316 -1.194 20 0 CAADLO Cc1nn[nH]c1C(=O)N[C@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001015479450 656350211 /nfs/dbraw/zinc/35/02/11/656350211.db2.gz JPLYOWIWVBVHJV-DTWKUNHWSA-N 1 2 278.316 -1.194 20 0 CAADLO O=C(CN1CC(=O)NC1=O)NC1C[NH+](CCCF)C1 ZINC001031114696 656350298 /nfs/dbraw/zinc/35/02/98/656350298.db2.gz BHPZHYMQEGTUCJ-UHFFFAOYSA-N 1 2 272.280 -1.302 20 0 CAADLO O=C(CN1CC(=O)NC1=O)NC1C[NH+](CCO)C1 ZINC001031114554 656350368 /nfs/dbraw/zinc/35/03/68/656350368.db2.gz WXLLBRSOTMSSNU-UHFFFAOYSA-N 1 2 256.262 -2.669 20 0 CAADLO COC[C@H](C)[NH+]1CC(NC(=O)CN2CC(=O)NC2=O)C1 ZINC001031113492 656350396 /nfs/dbraw/zinc/35/03/96/656350396.db2.gz ABDFILXSEPUEBP-QMMMGPOBSA-N 1 2 284.316 -1.627 20 0 CAADLO O=C(Cc1[nH]cc[nH+]1)NC1CN(CC(=O)N2CCC2)C1 ZINC001031145467 656351798 /nfs/dbraw/zinc/35/17/98/656351798.db2.gz CNGOCIRGUSQYMH-UHFFFAOYSA-N 1 2 277.328 -1.015 20 0 CAADLO O=C(Cc1[nH]cc[nH+]1)NC1CN([C@@H]2CCC(=O)NC2=O)C1 ZINC001031145418 656351908 /nfs/dbraw/zinc/35/19/08/656351908.db2.gz YQFLADSKDGVRFV-SECBINFHSA-N 1 2 291.311 -1.442 20 0 CAADLO Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)NC1C[NH+](CCO)C1 ZINC001031139249 656351961 /nfs/dbraw/zinc/35/19/61/656351961.db2.gz UACYONZLLPRANF-UHFFFAOYSA-N 1 2 282.300 -1.469 20 0 CAADLO C[C@@H](C(N)=O)N1CC(NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001031145328 656352005 /nfs/dbraw/zinc/35/20/05/656352005.db2.gz UJBFIKFRMDXNRD-ZETCQYMHSA-N 1 2 251.290 -1.374 20 0 CAADLO O=C(Cc1[nH]cc[nH+]1)NC1CN([C@@H]2CCNC2=O)C1 ZINC001031145317 656352034 /nfs/dbraw/zinc/35/20/34/656352034.db2.gz TURGGHDZKFNAHE-SECBINFHSA-N 1 2 263.301 -1.359 20 0 CAADLO Cn1nnc(C(=O)N[C@H]2CC[N@@H+]([C@H]3CCN(C)C3=O)C2)n1 ZINC001015548228 656352234 /nfs/dbraw/zinc/35/22/34/656352234.db2.gz BFOSFDPBOCJFFU-IUCAKERBSA-N 1 2 293.331 -1.755 20 0 CAADLO Cn1nnc(C(=O)N[C@H]2CC[N@H+]([C@H]3CCN(C)C3=O)C2)n1 ZINC001015548228 656352239 /nfs/dbraw/zinc/35/22/39/656352239.db2.gz BFOSFDPBOCJFFU-IUCAKERBSA-N 1 2 293.331 -1.755 20 0 CAADLO NC(=O)c1c[nH]c(C(=O)NC2C[NH+](CCCO)C2)c1 ZINC001031154200 656352389 /nfs/dbraw/zinc/35/23/89/656352389.db2.gz JIJXYYYTMZMPMH-UHFFFAOYSA-N 1 2 266.301 -1.090 20 0 CAADLO CCOCCOCC[N@@H+]1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC000929842165 656352856 /nfs/dbraw/zinc/35/28/56/656352856.db2.gz FWLDJPPZDWYYKQ-NSHDSACASA-N 1 2 285.344 -1.318 20 0 CAADLO CCOCCOCC[N@H+]1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC000929842165 656352861 /nfs/dbraw/zinc/35/28/61/656352861.db2.gz FWLDJPPZDWYYKQ-NSHDSACASA-N 1 2 285.344 -1.318 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001015553056 656353331 /nfs/dbraw/zinc/35/33/31/656353331.db2.gz UENQAQRKMCFSET-SVDPJWKOSA-N 1 2 267.329 -1.185 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001015553056 656353332 /nfs/dbraw/zinc/35/33/32/656353332.db2.gz UENQAQRKMCFSET-SVDPJWKOSA-N 1 2 267.329 -1.185 20 0 CAADLO CC1(C)C(=O)NC(=O)N1CC(=O)NC1C[NH+](CCO)C1 ZINC001031200482 656354508 /nfs/dbraw/zinc/35/45/08/656354508.db2.gz MLULENCHQYJBDC-UHFFFAOYSA-N 1 2 284.316 -1.891 20 0 CAADLO O=C(CN1CCC(=O)NC1=O)NC1C[NH+](CCO)C1 ZINC001031211868 656354919 /nfs/dbraw/zinc/35/49/19/656354919.db2.gz VPAKBOFDWCVUIW-UHFFFAOYSA-N 1 2 270.289 -2.279 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCc3nn[nH]c32)C1 ZINC001015620346 656355728 /nfs/dbraw/zinc/35/57/28/656355728.db2.gz KIFJECPMDIOPBT-IUCAKERBSA-N 1 2 292.343 -1.100 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCCc3nn[nH]c32)C1 ZINC001015620346 656355731 /nfs/dbraw/zinc/35/57/31/656355731.db2.gz KIFJECPMDIOPBT-IUCAKERBSA-N 1 2 292.343 -1.100 20 0 CAADLO C[C@H]1CCCN(C(=O)C[N@@H+]2CC[C@@H](NC(=O)C(N)=O)C2)C1 ZINC001015637872 656356461 /nfs/dbraw/zinc/35/64/61/656356461.db2.gz TYWVFYRRCHROAO-WDEREUQCSA-N 1 2 296.371 -1.079 20 0 CAADLO C[C@H]1CCCN(C(=O)C[N@H+]2CC[C@@H](NC(=O)C(N)=O)C2)C1 ZINC001015637872 656356465 /nfs/dbraw/zinc/35/64/65/656356465.db2.gz TYWVFYRRCHROAO-WDEREUQCSA-N 1 2 296.371 -1.079 20 0 CAADLO COc1ncc(C[N@@H+]2CC[C@@H](NC(=O)C(N)=O)C2)c(C)n1 ZINC001015636625 656356538 /nfs/dbraw/zinc/35/65/38/656356538.db2.gz BDQLILHHLLEOQP-SNVBAGLBSA-N 1 2 293.327 -1.031 20 0 CAADLO COc1ncc(C[N@H+]2CC[C@@H](NC(=O)C(N)=O)C2)c(C)n1 ZINC001015636625 656356542 /nfs/dbraw/zinc/35/65/42/656356542.db2.gz BDQLILHHLLEOQP-SNVBAGLBSA-N 1 2 293.327 -1.031 20 0 CAADLO C[C@H]1[C@H](NC(=O)c2cnnn2C)CCC[N@@H+]1CC(N)=O ZINC000993280017 656356551 /nfs/dbraw/zinc/35/65/51/656356551.db2.gz MRJGBESZOWEJJR-DTWKUNHWSA-N 1 2 280.332 -1.117 20 0 CAADLO C[C@H]1[C@H](NC(=O)c2cnnn2C)CCC[N@H+]1CC(N)=O ZINC000993280017 656356554 /nfs/dbraw/zinc/35/65/54/656356554.db2.gz MRJGBESZOWEJJR-DTWKUNHWSA-N 1 2 280.332 -1.117 20 0 CAADLO CC(=O)N1CC(C(=O)N[C@@H]2CCC[N@H+](CC(N)=O)[C@@H]2C)C1 ZINC000993272126 656356612 /nfs/dbraw/zinc/35/66/12/656356612.db2.gz YSJGFAALSZNTHO-BXKDBHETSA-N 1 2 296.371 -1.081 20 0 CAADLO CC(=O)N1CC(C(=O)N[C@@H]2CCC[N@@H+](CC(N)=O)[C@@H]2C)C1 ZINC000993272126 656356614 /nfs/dbraw/zinc/35/66/14/656356614.db2.gz YSJGFAALSZNTHO-BXKDBHETSA-N 1 2 296.371 -1.081 20 0 CAADLO CC(=O)N1CC(C(=O)N[C@@H]2CCC[N@H+](CC(N)=O)[C@H]2C)C1 ZINC000993272130 656356735 /nfs/dbraw/zinc/35/67/35/656356735.db2.gz YSJGFAALSZNTHO-JOYOIKCWSA-N 1 2 296.371 -1.081 20 0 CAADLO CC(=O)N1CC(C(=O)N[C@@H]2CCC[N@@H+](CC(N)=O)[C@H]2C)C1 ZINC000993272130 656356736 /nfs/dbraw/zinc/35/67/36/656356736.db2.gz YSJGFAALSZNTHO-JOYOIKCWSA-N 1 2 296.371 -1.081 20 0 CAADLO C[C@H]1[C@H](NC(=O)c2cn(C)nn2)CCC[N@@H+]1CC(N)=O ZINC000993298126 656356748 /nfs/dbraw/zinc/35/67/48/656356748.db2.gz LNDIWOSHMKNGKM-DTWKUNHWSA-N 1 2 280.332 -1.117 20 0 CAADLO C[C@H]1[C@H](NC(=O)c2cn(C)nn2)CCC[N@H+]1CC(N)=O ZINC000993298126 656356750 /nfs/dbraw/zinc/35/67/50/656356750.db2.gz LNDIWOSHMKNGKM-DTWKUNHWSA-N 1 2 280.332 -1.117 20 0 CAADLO COc1ncc(C[N@@H+]2CC[C@H](NC(=O)C(N)=O)C2)c(C)n1 ZINC001015636624 656356921 /nfs/dbraw/zinc/35/69/21/656356921.db2.gz BDQLILHHLLEOQP-JTQLQIEISA-N 1 2 293.327 -1.031 20 0 CAADLO COc1ncc(C[N@H+]2CC[C@H](NC(=O)C(N)=O)C2)c(C)n1 ZINC001015636624 656356924 /nfs/dbraw/zinc/35/69/24/656356924.db2.gz BDQLILHHLLEOQP-JTQLQIEISA-N 1 2 293.327 -1.031 20 0 CAADLO C[C@@H]1[C@@H](NC(=O)c2cn(C)nn2)CCC[N@@H+]1CC(N)=O ZINC000993298125 656357006 /nfs/dbraw/zinc/35/70/06/656357006.db2.gz LNDIWOSHMKNGKM-BDAKNGLRSA-N 1 2 280.332 -1.117 20 0 CAADLO C[C@@H]1[C@@H](NC(=O)c2cn(C)nn2)CCC[N@H+]1CC(N)=O ZINC000993298125 656357009 /nfs/dbraw/zinc/35/70/09/656357009.db2.gz LNDIWOSHMKNGKM-BDAKNGLRSA-N 1 2 280.332 -1.117 20 0 CAADLO Cn1ccc(C[N@@H+]2CC[C@H](NC(=O)[C@@H]3CNC(=O)N3)C2)n1 ZINC001015635028 656357112 /nfs/dbraw/zinc/35/71/12/656357112.db2.gz PQENVMQONSGFJN-ONGXEEELSA-N 1 2 292.343 -1.208 20 0 CAADLO Cn1ccc(C[N@H+]2CC[C@H](NC(=O)[C@@H]3CNC(=O)N3)C2)n1 ZINC001015635028 656357114 /nfs/dbraw/zinc/35/71/14/656357114.db2.gz PQENVMQONSGFJN-ONGXEEELSA-N 1 2 292.343 -1.208 20 0 CAADLO Cc1ncc(C[N@@H+]2CC[C@H](NC(=O)C(N)=O)C2)cn1 ZINC001015639300 656357277 /nfs/dbraw/zinc/35/72/77/656357277.db2.gz APHYNLNDUHKYAT-JTQLQIEISA-N 1 2 263.301 -1.039 20 0 CAADLO Cc1ncc(C[N@H+]2CC[C@H](NC(=O)C(N)=O)C2)cn1 ZINC001015639300 656357281 /nfs/dbraw/zinc/35/72/81/656357281.db2.gz APHYNLNDUHKYAT-JTQLQIEISA-N 1 2 263.301 -1.039 20 0 CAADLO C[C@@H](C(=O)NC1CC1)[N@@H+]1CC[C@@H](NC(=O)C(N)=O)C1 ZINC001015641247 656357366 /nfs/dbraw/zinc/35/73/66/656357366.db2.gz GTYDWIAYCMRRSG-IONNQARKSA-N 1 2 268.317 -1.671 20 0 CAADLO C[C@@H](C(=O)NC1CC1)[N@H+]1CC[C@@H](NC(=O)C(N)=O)C1 ZINC001015641247 656357368 /nfs/dbraw/zinc/35/73/68/656357368.db2.gz GTYDWIAYCMRRSG-IONNQARKSA-N 1 2 268.317 -1.671 20 0 CAADLO C[C@@H](C(=O)NC1CC1)[N@@H+]1CC[C@H](NC(=O)C(N)=O)C1 ZINC001015641246 656357585 /nfs/dbraw/zinc/35/75/85/656357585.db2.gz GTYDWIAYCMRRSG-CBAPKCEASA-N 1 2 268.317 -1.671 20 0 CAADLO C[C@@H](C(=O)NC1CC1)[N@H+]1CC[C@H](NC(=O)C(N)=O)C1 ZINC001015641246 656357587 /nfs/dbraw/zinc/35/75/87/656357587.db2.gz GTYDWIAYCMRRSG-CBAPKCEASA-N 1 2 268.317 -1.671 20 0 CAADLO NC(=O)C(=O)N[C@H]1CC[N@@H+]([C@H]2CCCNC2=O)C1 ZINC001015640922 656357655 /nfs/dbraw/zinc/35/76/55/656357655.db2.gz UUWZKCVAZKGZFX-YUMQZZPRSA-N 1 2 254.290 -2.059 20 0 CAADLO NC(=O)C(=O)N[C@H]1CC[N@H+]([C@H]2CCCNC2=O)C1 ZINC001015640922 656357658 /nfs/dbraw/zinc/35/76/58/656357658.db2.gz UUWZKCVAZKGZFX-YUMQZZPRSA-N 1 2 254.290 -2.059 20 0 CAADLO COCC[NH+]1CC(NC(=O)c2[nH]c(=O)[nH]c(=O)c2OC)C1 ZINC001031250170 656357941 /nfs/dbraw/zinc/35/79/41/656357941.db2.gz WMNRKRVVFCNJGK-UHFFFAOYSA-N 1 2 298.299 -1.043 20 0 CAADLO COC[C@H](C)[NH+]1CC(NC(=O)CN2CC(=O)N(C)C2=O)C1 ZINC001031247389 656358017 /nfs/dbraw/zinc/35/80/17/656358017.db2.gz IWZMUXCRNWLCAN-VIFPVBQESA-N 1 2 298.343 -1.284 20 0 CAADLO COCC[NH+]1CC(NC(=O)CN2CC(=O)N(C)C2=O)C1 ZINC001031247042 656358091 /nfs/dbraw/zinc/35/80/91/656358091.db2.gz DGKKWKZAPIKUJW-UHFFFAOYSA-N 1 2 284.316 -1.673 20 0 CAADLO C[C@@H]1[C@@H](NC(=O)Cn2nccn2)CCC[N@@H+]1CC(N)=O ZINC000993373094 656358944 /nfs/dbraw/zinc/35/89/44/656358944.db2.gz GCMQJIQNVLWPAV-ZJUUUORDSA-N 1 2 280.332 -1.268 20 0 CAADLO C[C@@H]1[C@@H](NC(=O)Cn2nccn2)CCC[N@H+]1CC(N)=O ZINC000993373094 656358945 /nfs/dbraw/zinc/35/89/45/656358945.db2.gz GCMQJIQNVLWPAV-ZJUUUORDSA-N 1 2 280.332 -1.268 20 0 CAADLO COC(=O)N(C)CC(=O)NC[C@H](O)C[NH+]1CCOCC1 ZINC000915853213 656359012 /nfs/dbraw/zinc/35/90/12/656359012.db2.gz QKBOMWGLLQZUPJ-JTQLQIEISA-N 1 2 289.332 -1.506 20 0 CAADLO C[C@H]1[C@H](NC(=O)Cn2nccn2)CCC[N@@H+]1CC(N)=O ZINC000993373089 656359176 /nfs/dbraw/zinc/35/91/76/656359176.db2.gz GCMQJIQNVLWPAV-VHSXEESVSA-N 1 2 280.332 -1.268 20 0 CAADLO C[C@H]1[C@H](NC(=O)Cn2nccn2)CCC[N@H+]1CC(N)=O ZINC000993373089 656359178 /nfs/dbraw/zinc/35/91/78/656359178.db2.gz GCMQJIQNVLWPAV-VHSXEESVSA-N 1 2 280.332 -1.268 20 0 CAADLO C[C@@H]1[C@H](NC(=O)C2CS(=O)(=O)C2)CCC[N@@H+]1CCO ZINC000993371394 656359233 /nfs/dbraw/zinc/35/92/33/656359233.db2.gz XNJLZBOWVFFMGI-MWLCHTKSSA-N 1 2 290.385 -1.008 20 0 CAADLO C[C@@H]1[C@H](NC(=O)C2CS(=O)(=O)C2)CCC[N@H+]1CCO ZINC000993371394 656359234 /nfs/dbraw/zinc/35/92/34/656359234.db2.gz XNJLZBOWVFFMGI-MWLCHTKSSA-N 1 2 290.385 -1.008 20 0 CAADLO Cn1c[nH+]cc1CC(=O)NC1CN([C@@H]2CCNC2=O)C1 ZINC001031261279 656359310 /nfs/dbraw/zinc/35/93/10/656359310.db2.gz DYEPLNCHRGEDHK-LLVKDONJSA-N 1 2 277.328 -1.349 20 0 CAADLO Cn1c[nH+]cc1CC(=O)NC1CN([C@@H]2CCN(C)C2=O)C1 ZINC001031258582 656359476 /nfs/dbraw/zinc/35/94/76/656359476.db2.gz MVPZGJAZETXTMQ-GFCCVEGCSA-N 1 2 291.355 -1.006 20 0 CAADLO Cn1c[nH+]cc1CC(=O)NC1CN(Cc2nnnn2C)C1 ZINC001031259467 656359694 /nfs/dbraw/zinc/35/96/94/656359694.db2.gz BZVMBVCKSCSBEL-UHFFFAOYSA-N 1 2 290.331 -1.513 20 0 CAADLO O=C(NC1CN(Cc2n[nH]c(=O)[nH]2)C1)C12CC[NH+](CC1)C2 ZINC001031266250 656359728 /nfs/dbraw/zinc/35/97/28/656359728.db2.gz PZKFDURIYXICHU-UHFFFAOYSA-N 1 2 292.343 -1.094 20 0 CAADLO Cn1c[nH+]cc1CN1CC(NC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001031277234 656359796 /nfs/dbraw/zinc/35/97/96/656359796.db2.gz AJOSERKHQPEEJA-NSHDSACASA-N 1 2 277.328 -1.001 20 0 CAADLO Cc1ccc(=O)n(CC(=O)NC2C[NH+](CCO)C2)n1 ZINC001031287905 656359998 /nfs/dbraw/zinc/35/99/98/656359998.db2.gz MVAYMRZANANFGQ-UHFFFAOYSA-N 1 2 266.301 -1.656 20 0 CAADLO Cc1ccc(=O)n(CC(=O)NC2C[NH+](C[C@H](C)O)C2)n1 ZINC001031288559 656360032 /nfs/dbraw/zinc/36/00/32/656360032.db2.gz CASZEIOYZGYHLC-JTQLQIEISA-N 1 2 280.328 -1.267 20 0 CAADLO COCC[NH+]1CC(NC(=O)Cn2nc(C)ccc2=O)C1 ZINC001031288434 656360107 /nfs/dbraw/zinc/36/01/07/656360107.db2.gz YUJRGUVEWPZKLO-UHFFFAOYSA-N 1 2 280.328 -1.001 20 0 CAADLO CN1CCOC[C@@H]1C(=O)N[C@H]1CCC[N@H+](CC(N)=O)C1 ZINC001007153400 656360249 /nfs/dbraw/zinc/36/02/49/656360249.db2.gz BGBRRCRBQOJTQQ-WDEREUQCSA-N 1 2 284.360 -1.617 20 0 CAADLO CN1CCOC[C@@H]1C(=O)N[C@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001007153400 656360251 /nfs/dbraw/zinc/36/02/51/656360251.db2.gz BGBRRCRBQOJTQQ-WDEREUQCSA-N 1 2 284.360 -1.617 20 0 CAADLO CNC(=O)C[N@@H+]1CCC[C@H](NC(=O)c2nnn(C)n2)[C@@H]1C ZINC000993686225 656360519 /nfs/dbraw/zinc/36/05/19/656360519.db2.gz JIBKNKLQCSLIMY-IUCAKERBSA-N 1 2 295.347 -1.461 20 0 CAADLO CNC(=O)C[N@H+]1CCC[C@H](NC(=O)c2nnn(C)n2)[C@@H]1C ZINC000993686225 656360522 /nfs/dbraw/zinc/36/05/22/656360522.db2.gz JIBKNKLQCSLIMY-IUCAKERBSA-N 1 2 295.347 -1.461 20 0 CAADLO CC(=O)N[C@@H]1CN(C(=O)C(N)=O)C[C@H]1c1c[nH+]cn1C ZINC000993625407 656360541 /nfs/dbraw/zinc/36/05/41/656360541.db2.gz GEDRFEARSHGIRN-RKDXNWHRSA-N 1 2 279.300 -1.664 20 0 CAADLO C[C@@H]1[C@H](NC(=O)c2nnn(C)n2)CCC[N@@H+]1CC(N)=O ZINC000993694870 656360653 /nfs/dbraw/zinc/36/06/53/656360653.db2.gz YPKWAKBTVBTWTG-HTQZYQBOSA-N 1 2 281.320 -1.722 20 0 CAADLO C[C@@H]1[C@H](NC(=O)c2nnn(C)n2)CCC[N@H+]1CC(N)=O ZINC000993694870 656360655 /nfs/dbraw/zinc/36/06/55/656360655.db2.gz YPKWAKBTVBTWTG-HTQZYQBOSA-N 1 2 281.320 -1.722 20 0 CAADLO CC(=O)N[C@@H]1CN(C(=O)CC(N)=O)C[C@H]1c1c[nH+]cn1C ZINC000993595261 656360772 /nfs/dbraw/zinc/36/07/72/656360772.db2.gz DJSAMRKUBZEOGV-NXEZZACHSA-N 1 2 293.327 -1.274 20 0 CAADLO CCC(=O)N[C@@H]1CN(C(=O)C(N)=O)C[C@H]1c1c[nH+]cn1C ZINC000993628177 656360782 /nfs/dbraw/zinc/36/07/82/656360782.db2.gz UPHHPCKVCJWIRY-RKDXNWHRSA-N 1 2 293.327 -1.274 20 0 CAADLO CNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)C(N)=O)[C@@H]1C ZINC000993743538 656361337 /nfs/dbraw/zinc/36/13/37/656361337.db2.gz JKFPXOPCTQCRGG-JGVFFNPUSA-N 1 2 256.306 -1.813 20 0 CAADLO CNC(=O)C[N@H+]1CCC[C@@H](NC(=O)C(N)=O)[C@@H]1C ZINC000993743538 656361338 /nfs/dbraw/zinc/36/13/38/656361338.db2.gz JKFPXOPCTQCRGG-JGVFFNPUSA-N 1 2 256.306 -1.813 20 0 CAADLO C[C@@H]1[C@@H](NC(=O)c2c[nH]c(=O)cn2)CCC[N@@H+]1CC(N)=O ZINC000993733741 656361347 /nfs/dbraw/zinc/36/13/47/656361347.db2.gz ZCHXUPKYMXWGMP-BDAKNGLRSA-N 1 2 293.327 -1.162 20 0 CAADLO C[C@@H]1[C@@H](NC(=O)c2c[nH]c(=O)cn2)CCC[N@H+]1CC(N)=O ZINC000993733741 656361350 /nfs/dbraw/zinc/36/13/50/656361350.db2.gz ZCHXUPKYMXWGMP-BDAKNGLRSA-N 1 2 293.327 -1.162 20 0 CAADLO C[C@@H]1[C@@H](NC(=O)c2nnn(C)n2)CCC[N@@H+]1CC(N)=O ZINC000993694882 656361573 /nfs/dbraw/zinc/36/15/73/656361573.db2.gz YPKWAKBTVBTWTG-SFYZADRCSA-N 1 2 281.320 -1.722 20 0 CAADLO C[C@@H]1[C@@H](NC(=O)c2nnn(C)n2)CCC[N@H+]1CC(N)=O ZINC000993694882 656361575 /nfs/dbraw/zinc/36/15/75/656361575.db2.gz YPKWAKBTVBTWTG-SFYZADRCSA-N 1 2 281.320 -1.722 20 0 CAADLO C[C@@H]1[C@H](NC(=O)c2c[nH]c(=O)cn2)CCC[N@@H+]1CC(N)=O ZINC000993733754 656361579 /nfs/dbraw/zinc/36/15/79/656361579.db2.gz ZCHXUPKYMXWGMP-RKDXNWHRSA-N 1 2 293.327 -1.162 20 0 CAADLO C[C@@H]1[C@H](NC(=O)c2c[nH]c(=O)cn2)CCC[N@H+]1CC(N)=O ZINC000993733754 656361580 /nfs/dbraw/zinc/36/15/80/656361580.db2.gz ZCHXUPKYMXWGMP-RKDXNWHRSA-N 1 2 293.327 -1.162 20 0 CAADLO C[C@@H]1[C@H](NC(=O)C(N)=O)CCC[N@@H+]1CC(=O)N(C)C ZINC000993739398 656361653 /nfs/dbraw/zinc/36/16/53/656361653.db2.gz DBODUPWRTZVKRT-RKDXNWHRSA-N 1 2 270.333 -1.471 20 0 CAADLO C[C@@H]1[C@H](NC(=O)C(N)=O)CCC[N@H+]1CC(=O)N(C)C ZINC000993739398 656361655 /nfs/dbraw/zinc/36/16/55/656361655.db2.gz DBODUPWRTZVKRT-RKDXNWHRSA-N 1 2 270.333 -1.471 20 0 CAADLO C[C@H]1[C@@H](NC(=O)c2nnn(C)n2)CCC[N@@H+]1CC(N)=O ZINC000993694886 656361658 /nfs/dbraw/zinc/36/16/58/656361658.db2.gz YPKWAKBTVBTWTG-YUMQZZPRSA-N 1 2 281.320 -1.722 20 0 CAADLO C[C@H]1[C@@H](NC(=O)c2nnn(C)n2)CCC[N@H+]1CC(N)=O ZINC000993694886 656361662 /nfs/dbraw/zinc/36/16/62/656361662.db2.gz YPKWAKBTVBTWTG-YUMQZZPRSA-N 1 2 281.320 -1.722 20 0 CAADLO C[C@H]1[C@H](NC(=O)c2nnn(C)n2)CCC[N@@H+]1CC(N)=O ZINC000993694876 656361710 /nfs/dbraw/zinc/36/17/10/656361710.db2.gz YPKWAKBTVBTWTG-JGVFFNPUSA-N 1 2 281.320 -1.722 20 0 CAADLO C[C@H]1[C@H](NC(=O)c2nnn(C)n2)CCC[N@H+]1CC(N)=O ZINC000993694876 656361714 /nfs/dbraw/zinc/36/17/14/656361714.db2.gz YPKWAKBTVBTWTG-JGVFFNPUSA-N 1 2 281.320 -1.722 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCCC(=O)N2)C1 ZINC001015686279 656361997 /nfs/dbraw/zinc/36/19/97/656361997.db2.gz YJQPUIRYZWHMOV-WDEREUQCSA-N 1 2 296.371 -1.018 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCCCC(=O)N2)C1 ZINC001015686279 656362000 /nfs/dbraw/zinc/36/20/00/656362000.db2.gz YJQPUIRYZWHMOV-WDEREUQCSA-N 1 2 296.371 -1.018 20 0 CAADLO C[C@@H]1[C@H](NC(=O)c2cnn(C)n2)CCC[N@@H+]1CC(N)=O ZINC000994000367 656362834 /nfs/dbraw/zinc/36/28/34/656362834.db2.gz YFAZPCKXIJAEGI-RKDXNWHRSA-N 1 2 280.332 -1.117 20 0 CAADLO C[C@@H]1[C@H](NC(=O)c2cnn(C)n2)CCC[N@H+]1CC(N)=O ZINC000994000367 656362837 /nfs/dbraw/zinc/36/28/37/656362837.db2.gz YFAZPCKXIJAEGI-RKDXNWHRSA-N 1 2 280.332 -1.117 20 0 CAADLO Cc1[nH+]c[nH]c1CC(=O)NC1CN(CC(N)=O)C1 ZINC001031313602 656363914 /nfs/dbraw/zinc/36/39/14/656363914.db2.gz QFXJOHSIDHQYJD-UHFFFAOYSA-N 1 2 251.290 -1.454 20 0 CAADLO CC(=O)N1CC[C@@H](C(=O)NC2C[NH+](CCO)C2)C1 ZINC001031322208 656364582 /nfs/dbraw/zinc/36/45/82/656364582.db2.gz SXYNIHICWCMCIF-SNVBAGLBSA-N 1 2 255.318 -1.353 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001015714769 656364600 /nfs/dbraw/zinc/36/46/00/656364600.db2.gz JOJPSNSDHNQHKV-HLTSFMKQSA-N 1 2 268.317 -1.956 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001015714769 656364602 /nfs/dbraw/zinc/36/46/02/656364602.db2.gz JOJPSNSDHNQHKV-HLTSFMKQSA-N 1 2 268.317 -1.956 20 0 CAADLO O=S(=O)([C@@H]1COC[C@H]1O)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000916710267 656364938 /nfs/dbraw/zinc/36/49/38/656364938.db2.gz RVHRIPAXOXNRMU-GMTAPVOTSA-N 1 2 292.357 -2.173 20 0 CAADLO O=S(=O)([C@@H]1COC[C@H]1O)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000916710267 656364940 /nfs/dbraw/zinc/36/49/40/656364940.db2.gz RVHRIPAXOXNRMU-GMTAPVOTSA-N 1 2 292.357 -2.173 20 0 CAADLO CC1(C)NC(=O)N(CC(=O)NC2C[NH+](CCCO)C2)C1=O ZINC001031348944 656365370 /nfs/dbraw/zinc/36/53/70/656365370.db2.gz FMHJWUPDESWVRO-UHFFFAOYSA-N 1 2 298.343 -1.500 20 0 CAADLO COC[C@@H](C)[NH+]1CC(NC(=O)Cn2nc(C)n(C)c2=O)C1 ZINC001031334335 656365384 /nfs/dbraw/zinc/36/53/84/656365384.db2.gz QZZJNDBTLUYMRP-SECBINFHSA-N 1 2 297.359 -1.274 20 0 CAADLO COCC[NH+]1CC(NC(=O)CN2C(=O)NC(C)(C)C2=O)C1 ZINC001031349020 656365504 /nfs/dbraw/zinc/36/55/04/656365504.db2.gz IYIRXWVWPIFQQB-UHFFFAOYSA-N 1 2 298.343 -1.236 20 0 CAADLO Cc1nn(CC(=O)NC2C[NH+](CCCO)C2)c(=O)n1C ZINC001031334119 656365518 /nfs/dbraw/zinc/36/55/18/656365518.db2.gz IWTUGPUMDBAMHX-UHFFFAOYSA-N 1 2 283.332 -1.927 20 0 CAADLO COCC[NH+]1CC(NC(=O)Cn2nc(C)n(C)c2=O)C1 ZINC001031333474 656365694 /nfs/dbraw/zinc/36/56/94/656365694.db2.gz LPXWPBGZIFWWGN-UHFFFAOYSA-N 1 2 283.332 -1.663 20 0 CAADLO Cc1nn(CC(=O)NC2C[NH+](C[C@H](C)O)C2)c(=O)n1C ZINC001031333185 656365766 /nfs/dbraw/zinc/36/57/66/656365766.db2.gz DQVFLBPRSLBQEF-QMMMGPOBSA-N 1 2 283.332 -1.929 20 0 CAADLO COCC[NH+]1CC(NC(=O)[C@@H]2CN(C(C)=O)CCO2)C1 ZINC001031332344 656365768 /nfs/dbraw/zinc/36/57/68/656365768.db2.gz XFDFNNHNOQTMPB-LBPRGKRZSA-N 1 2 285.344 -1.320 20 0 CAADLO O=C(Cn1cncn1)NC1C[NH+](CCn2cccn2)C1 ZINC001031359129 656366328 /nfs/dbraw/zinc/36/63/28/656366328.db2.gz ZUSGAYCYQJDWLB-UHFFFAOYSA-N 1 2 275.316 -1.025 20 0 CAADLO Cn1nc(C(=O)NC2C[NH+](CCCO)C2)ccc1=O ZINC001031354999 656366333 /nfs/dbraw/zinc/36/63/33/656366333.db2.gz KQVNSUNZFGNVLH-UHFFFAOYSA-N 1 2 266.301 -1.423 20 0 CAADLO C[C@H](O)C[NH+]1CC(NC(=O)CN2C(=O)CN(C)C2=O)C1 ZINC001031361276 656366507 /nfs/dbraw/zinc/36/65/07/656366507.db2.gz HNFRLNKISUAEQE-QMMMGPOBSA-N 1 2 284.316 -1.938 20 0 CAADLO CN1CC(=O)N(CC(=O)NC2C[NH+](CCO)C2)C1=O ZINC001031361301 656366647 /nfs/dbraw/zinc/36/66/47/656366647.db2.gz JCSCVVXNZSDZSC-UHFFFAOYSA-N 1 2 270.289 -2.327 20 0 CAADLO COC[C@H](C)[NH+]1CC(NC(=O)CN2C(=O)CNC2=O)C1 ZINC001031362693 656366697 /nfs/dbraw/zinc/36/66/97/656366697.db2.gz PXNJXCARFDQCAP-QMMMGPOBSA-N 1 2 284.316 -1.627 20 0 CAADLO COCC[NH+]1CC(NC(=O)CN2C(=O)CN(C)C2=O)C1 ZINC001031361466 656366903 /nfs/dbraw/zinc/36/69/03/656366903.db2.gz PDCBIXFZEXAUMP-UHFFFAOYSA-N 1 2 284.316 -1.673 20 0 CAADLO O=C(CN1C(=O)CCC1=O)NC1C[NH+](CCCO)C1 ZINC001031366266 656367122 /nfs/dbraw/zinc/36/71/22/656367122.db2.gz IMDDQTLTZCFMPR-UHFFFAOYSA-N 1 2 269.301 -1.682 20 0 CAADLO C[C@@H](O)C[NH+]1CC(NC(=O)C2CCN(C(N)=O)CC2)C1 ZINC001031367571 656367461 /nfs/dbraw/zinc/36/74/61/656367461.db2.gz GMGWKXTUKRHSGU-SECBINFHSA-N 1 2 284.360 -1.042 20 0 CAADLO C[C@@H](O)C[NH+]1CC(NC(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001031383344 656367898 /nfs/dbraw/zinc/36/78/98/656367898.db2.gz YTFMOVAPYRLGFL-SSDOTTSWSA-N 1 2 282.300 -1.719 20 0 CAADLO C[N@@H+]1CC[C@@H](C(=O)NC2CN(Cc3n[nH]c(=O)[nH]3)C2)C1 ZINC001031386097 656367927 /nfs/dbraw/zinc/36/79/27/656367927.db2.gz XPPKCQJOWIWEOX-MRVPVSSYSA-N 1 2 280.332 -1.238 20 0 CAADLO C[N@H+]1CC[C@@H](C(=O)NC2CN(Cc3n[nH]c(=O)[nH]3)C2)C1 ZINC001031386097 656367929 /nfs/dbraw/zinc/36/79/29/656367929.db2.gz XPPKCQJOWIWEOX-MRVPVSSYSA-N 1 2 280.332 -1.238 20 0 CAADLO Cn1cc(C(=O)NC2C[NH+](CCCO)C2)c(=O)[nH]c1=O ZINC001031380255 656367969 /nfs/dbraw/zinc/36/79/69/656367969.db2.gz FJXDANPHWKEMOD-UHFFFAOYSA-N 1 2 282.300 -1.718 20 0 CAADLO O=C(Cc1nc2ncccn2n1)NC1C[NH+](CCO)C1 ZINC001031383634 656367975 /nfs/dbraw/zinc/36/79/75/656367975.db2.gz ICHSGIGZNFZVLQ-UHFFFAOYSA-N 1 2 276.300 -1.541 20 0 CAADLO C[C@H](O)C[NH+]1CC(NC(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001031383345 656368096 /nfs/dbraw/zinc/36/80/96/656368096.db2.gz YTFMOVAPYRLGFL-ZETCQYMHSA-N 1 2 282.300 -1.719 20 0 CAADLO C[C@H](O)C[NH+]1CC(NC(=O)c2c[nH]c(C(N)=O)c2)C1 ZINC001031393668 656368543 /nfs/dbraw/zinc/36/85/43/656368543.db2.gz WABWDWSLNCFNBQ-ZETCQYMHSA-N 1 2 266.301 -1.092 20 0 CAADLO CS(=O)(=O)CCN1CC(NC(=O)C[NH+]2CCCC2)C1 ZINC001031389379 656368702 /nfs/dbraw/zinc/36/87/02/656368702.db2.gz NFIOGTNAYJTFSU-UHFFFAOYSA-N 1 2 289.401 -1.073 20 0 CAADLO COC[C@@H](C)[NH+]1CC(NC(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001031402739 656368890 /nfs/dbraw/zinc/36/88/90/656368890.db2.gz PCKSSTDEKSPSDX-SCZZXKLOSA-N 1 2 291.373 -1.487 20 0 CAADLO O=C(NC1C[NH+](CCO)C1)[C@H]1CCS(=O)(=O)N1 ZINC001031402183 656368992 /nfs/dbraw/zinc/36/89/92/656368992.db2.gz BNXIKWFLCNYMBC-MRVPVSSYSA-N 1 2 263.319 -2.529 20 0 CAADLO CO[C@H](C)C[NH+]1CC(NC(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001031402819 656369034 /nfs/dbraw/zinc/36/90/34/656369034.db2.gz RJLJGRPBPIENKX-SCZZXKLOSA-N 1 2 291.373 -1.487 20 0 CAADLO COCC[NH+]1CC(NC(=O)[C@@H]2COCCN2C(C)=O)C1 ZINC001031407657 656369049 /nfs/dbraw/zinc/36/90/49/656369049.db2.gz ZXJCFVUVUFKONJ-LBPRGKRZSA-N 1 2 285.344 -1.320 20 0 CAADLO C[C@@H](O)C[NH+]1CC(NC(=O)c2cncc(C(N)=O)c2)C1 ZINC001031404354 656369199 /nfs/dbraw/zinc/36/91/99/656369199.db2.gz VTDMBGAAUIVGOY-MRVPVSSYSA-N 1 2 278.312 -1.025 20 0 CAADLO COCC[NH+]1CC(NC(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001031403172 656369210 /nfs/dbraw/zinc/36/92/10/656369210.db2.gz ZVSVHUDYCURHKM-SECBINFHSA-N 1 2 277.346 -1.875 20 0 CAADLO CC(=O)N1CCOC[C@@H]1C(=O)NC1C[NH+](C[C@H](C)O)C1 ZINC001031410050 656369657 /nfs/dbraw/zinc/36/96/57/656369657.db2.gz OZOIBZSSPLJWQS-JOYOIKCWSA-N 1 2 285.344 -1.585 20 0 CAADLO O=C(NC1C[NH+](CCO)C1)[C@@H]1CCc2nncn2C1 ZINC001031426437 656370099 /nfs/dbraw/zinc/37/00/99/656370099.db2.gz BQZWNBAOSNYJLI-SECBINFHSA-N 1 2 265.317 -1.367 20 0 CAADLO C[C@H](O)C[NH+]1CC(NC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001031438477 656370113 /nfs/dbraw/zinc/37/01/13/656370113.db2.gz GJKIFNOGHDATLF-ZETCQYMHSA-N 1 2 282.304 -2.442 20 0 CAADLO CCC[NH+]1CC(NC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001031438380 656370368 /nfs/dbraw/zinc/37/03/68/656370368.db2.gz DFJRHFLHHDYSMR-UHFFFAOYSA-N 1 2 266.305 -1.413 20 0 CAADLO C[C@@H](F)CC[NH+]1CC(NC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001031438611 656370480 /nfs/dbraw/zinc/37/04/80/656370480.db2.gz MGBGFIPCHIZNAU-MRVPVSSYSA-N 1 2 298.322 -1.075 20 0 CAADLO O=C(NC1C[NH+](CCO)C1)[C@H]1CCc2nncn2C1 ZINC001031426438 656370507 /nfs/dbraw/zinc/37/05/07/656370507.db2.gz BQZWNBAOSNYJLI-VIFPVBQESA-N 1 2 265.317 -1.367 20 0 CAADLO C[C@@H](O)C[NH+]1CC(NC(=O)c2cccnc2C(N)=O)C1 ZINC001031424918 656370525 /nfs/dbraw/zinc/37/05/25/656370525.db2.gz IAKUDUGZSUVYTA-MRVPVSSYSA-N 1 2 278.312 -1.025 20 0 CAADLO CO[C@@H](C)C[NH+]1CC(NC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001031438902 656371120 /nfs/dbraw/zinc/37/11/20/656371120.db2.gz ZQAICWGFMZNGOM-QMMMGPOBSA-N 1 2 296.331 -1.788 20 0 CAADLO CN1CC[C@H](N2CC(NC(=O)Cn3cc[nH+]c3)C2)C1=O ZINC001031477150 656371269 /nfs/dbraw/zinc/37/12/69/656371269.db2.gz QZCVTMPNWBLFFI-NSHDSACASA-N 1 2 277.328 -1.086 20 0 CAADLO C[C@H](O)C[NH+]1CC(NC(=O)c2ccc(C(N)=O)cn2)C1 ZINC001031471667 656371395 /nfs/dbraw/zinc/37/13/95/656371395.db2.gz HEGZFNQEWDYONS-QMMMGPOBSA-N 1 2 278.312 -1.025 20 0 CAADLO C[C@@H](c1nnnn1C)N1CC(NC(=O)Cn2cc[nH+]c2)C1 ZINC001031476378 656371407 /nfs/dbraw/zinc/37/14/07/656371407.db2.gz LCCWOGSMVSOVIS-VIFPVBQESA-N 1 2 290.331 -1.032 20 0 CAADLO CNC(=O)CN1CC(NC(=O)Cn2cc[nH+]c2)C1 ZINC001031474635 656371431 /nfs/dbraw/zinc/37/14/31/656371431.db2.gz TXHWOJXWWQJTEZ-UHFFFAOYSA-N 1 2 251.290 -1.571 20 0 CAADLO O=C(Cn1cc[nH+]c1)NC1CN([C@H]2CCCNC2=O)C1 ZINC001031476249 656371462 /nfs/dbraw/zinc/37/14/62/656371462.db2.gz DBHZNGMDRZNBLI-NSHDSACASA-N 1 2 277.328 -1.038 20 0 CAADLO NC(=O)c1ccc(C(=O)NC2C[NH+](CCCO)C2)nc1 ZINC001031473536 656371542 /nfs/dbraw/zinc/37/15/42/656371542.db2.gz AELKFLYMANPPCC-UHFFFAOYSA-N 1 2 278.312 -1.023 20 0 CAADLO C[C@@H](C(N)=O)N1CC(NC(=O)Cn2cc[nH+]c2)C1 ZINC001031476289 656371672 /nfs/dbraw/zinc/37/16/72/656371672.db2.gz GFWMEKCAVQAQHZ-QMMMGPOBSA-N 1 2 251.290 -1.443 20 0 CAADLO O=C(Cn1cc[nH+]c1)NC1CN(CC(=O)N2CCC2)C1 ZINC001031474582 656371691 /nfs/dbraw/zinc/37/16/91/656371691.db2.gz LGMRDPPORYEWMR-UHFFFAOYSA-N 1 2 277.328 -1.084 20 0 CAADLO NC(=O)C(=O)N1CC(NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC000994565492 656371734 /nfs/dbraw/zinc/37/17/34/656371734.db2.gz VWWRQCLKJDXFKO-MRVPVSSYSA-N 1 2 291.311 -1.742 20 0 CAADLO O=C(Cn1cc[nH+]c1)NC1CN([C@@H]2CCCNC2=O)C1 ZINC001031476248 656371905 /nfs/dbraw/zinc/37/19/05/656371905.db2.gz DBHZNGMDRZNBLI-LLVKDONJSA-N 1 2 277.328 -1.038 20 0 CAADLO NC(=O)c1ccc(C(=O)NC2C[NH+](CCCO)C2)cn1 ZINC001031477807 656372324 /nfs/dbraw/zinc/37/23/24/656372324.db2.gz UNNVUWFFGDVTOD-UHFFFAOYSA-N 1 2 278.312 -1.023 20 0 CAADLO C[C@@H](O)C[NH+]1CC(NC(=O)[C@@H]2CCCN2C(N)=O)C1 ZINC001031483105 656372516 /nfs/dbraw/zinc/37/25/16/656372516.db2.gz RGVSXPOFWXYKJD-SCZZXKLOSA-N 1 2 270.333 -1.289 20 0 CAADLO CC(=O)NCC1C[NH+](CC(=O)N2CCC(C(N)=O)CC2)C1 ZINC001031505315 656372933 /nfs/dbraw/zinc/37/29/33/656372933.db2.gz MLYYUROSWZFGJS-UHFFFAOYSA-N 1 2 296.371 -1.222 20 0 CAADLO CC(=O)NCC1C[NH+](CC(=O)N2CCNC(=O)C2)C1 ZINC001031503092 656373016 /nfs/dbraw/zinc/37/30/16/656373016.db2.gz VUPKHDQRMLXKEL-UHFFFAOYSA-N 1 2 268.317 -1.987 20 0 CAADLO CC(=O)NCC1C[NH+](CC(=O)N2CCOCC2)C1 ZINC001031503170 656373140 /nfs/dbraw/zinc/37/31/40/656373140.db2.gz ZCJRJRWHLKKKJD-UHFFFAOYSA-N 1 2 255.318 -1.087 20 0 CAADLO CN(C)C(=O)CNC(=S)NN1CC[NH+](C)CC1 ZINC000918715968 656373567 /nfs/dbraw/zinc/37/35/67/656373567.db2.gz MWYQZSNEYAJRNW-UHFFFAOYSA-N 1 2 259.379 -1.299 20 0 CAADLO O=C(C[NH+]1CC(CNC(=O)C2CC2)C1)N1CCNC(=O)C1 ZINC001031509235 656373699 /nfs/dbraw/zinc/37/36/99/656373699.db2.gz UHWQSRSLQYIOJF-UHFFFAOYSA-N 1 2 294.355 -1.597 20 0 CAADLO CNC(=O)C[NH+]1CC(CNC(=O)c2cnccn2)C1 ZINC001031521278 656374037 /nfs/dbraw/zinc/37/40/37/656374037.db2.gz AYEMJEGYHDDUSV-UHFFFAOYSA-N 1 2 263.301 -1.116 20 0 CAADLO C[C@H](C(N)=O)[NH+]1CC(CNC(=O)c2cc[n+]([O-])cc2)C1 ZINC001031535954 656374109 /nfs/dbraw/zinc/37/41/09/656374109.db2.gz XHVMOAYOMPLANZ-SECBINFHSA-N 1 2 278.312 -1.145 20 0 CAADLO O=C(NCC1C[NH+]([C@@H]2CCNC2=O)C1)c1cc[n+]([O-])cc1 ZINC001031537211 656374712 /nfs/dbraw/zinc/37/47/12/656374712.db2.gz NSIBJFRXJPXWLG-GFCCVEGCSA-N 1 2 290.323 -1.130 20 0 CAADLO Cn1cc(C(=O)NCC2C[NH+]([C@@H]3CCNC3=O)C2)cn1 ZINC001031539887 656374750 /nfs/dbraw/zinc/37/47/50/656374750.db2.gz XBKAAPIKZSHBCU-LLVKDONJSA-N 1 2 277.328 -1.030 20 0 CAADLO C[C@@H](C(N)=O)[NH+]1CC(CNC(=O)c2ccn[nH]2)C1 ZINC001031556870 656374927 /nfs/dbraw/zinc/37/49/27/656374927.db2.gz GJUVLODHTWCXHM-ZETCQYMHSA-N 1 2 251.290 -1.055 20 0 CAADLO NC(=O)C(=O)N1CC(NC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000994601810 656374950 /nfs/dbraw/zinc/37/49/50/656374950.db2.gz MPGLOTUEOOOYPE-QMMMGPOBSA-N 1 2 291.311 -1.742 20 0 CAADLO CNC(=O)C[NH+]1CC(CNC(=O)[C@@H]2COCCO2)C1 ZINC001031554708 656375031 /nfs/dbraw/zinc/37/50/31/656375031.db2.gz HGQHNKOPGMANCR-JTQLQIEISA-N 1 2 271.317 -1.804 20 0 CAADLO O=C(C[NH+]1CC(CNC(=O)[C@@H]2COCCO2)C1)N1CCC1 ZINC001031554586 656375074 /nfs/dbraw/zinc/37/50/74/656375074.db2.gz BNRMGCOCGVCYMR-LBPRGKRZSA-N 1 2 297.355 -1.318 20 0 CAADLO NC(=O)C[NH+]1CC(CNC(=O)[C@H]2COCCO2)C1 ZINC001031554210 656375123 /nfs/dbraw/zinc/37/51/23/656375123.db2.gz NXJBSKLREWRBAO-SECBINFHSA-N 1 2 257.290 -2.065 20 0 CAADLO O=C(NCC1C[NH+]([C@@H]2CCNC2=O)C1)c1ccn[nH]1 ZINC001031557748 656375365 /nfs/dbraw/zinc/37/53/65/656375365.db2.gz GCWAFECOUMFGMD-SNVBAGLBSA-N 1 2 263.301 -1.040 20 0 CAADLO NC(=O)C[NH+]1CC(CNC(=O)[C@@H]2COCCO2)C1 ZINC001031554211 656375500 /nfs/dbraw/zinc/37/55/00/656375500.db2.gz NXJBSKLREWRBAO-VIFPVBQESA-N 1 2 257.290 -2.065 20 0 CAADLO O=C(C[NH+]1CC(CNC(=O)[C@H]2COCCO2)C1)NC1CC1 ZINC001031553950 656375509 /nfs/dbraw/zinc/37/55/09/656375509.db2.gz HGLDXOJTFVCYIF-GFCCVEGCSA-N 1 2 297.355 -1.272 20 0 CAADLO Cc1cc(C(=O)NCC2C[NH+](CC(N)=O)C2)nn1C ZINC001031570223 656375607 /nfs/dbraw/zinc/37/56/07/656375607.db2.gz PGQGHYFWYYKKFU-UHFFFAOYSA-N 1 2 265.317 -1.125 20 0 CAADLO Cc1cc(C(=O)NCC2C[NH+](CC(N)=O)C2)[nH]n1 ZINC001031562679 656375685 /nfs/dbraw/zinc/37/56/85/656375685.db2.gz VXSCGECHPRAUOL-UHFFFAOYSA-N 1 2 251.290 -1.135 20 0 CAADLO O=C(NCC1C[NH+]([C@@H]2CCNC2=O)C1)[C@H]1CCOC1 ZINC001031571344 656375857 /nfs/dbraw/zinc/37/58/57/656375857.db2.gz LLWYWSWFHNRAQU-WDEREUQCSA-N 1 2 267.329 -1.041 20 0 CAADLO O=C(NCC1C[NH+]([C@@H]2CCNC2=O)C1)[C@@H]1CCOC1 ZINC001031571341 656375960 /nfs/dbraw/zinc/37/59/60/656375960.db2.gz LLWYWSWFHNRAQU-GHMZBOCLSA-N 1 2 267.329 -1.041 20 0 CAADLO NC(=O)C[NH+]1CC(CNC(=O)[C@@H]2CCCOC2)C1 ZINC001031578378 656376352 /nfs/dbraw/zinc/37/63/52/656376352.db2.gz XEVUVESWKJRWDK-SNVBAGLBSA-N 1 2 255.318 -1.054 20 0 CAADLO NC(=O)C(=O)N1CC(NC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000994607317 656376608 /nfs/dbraw/zinc/37/66/08/656376608.db2.gz ADPUWZQBWSGNBX-QMMMGPOBSA-N 1 2 291.311 -1.742 20 0 CAADLO C[C@H](C(N)=O)[NH+]1CC(CNC(=O)c2nccnc2N)C1 ZINC001031588900 656376641 /nfs/dbraw/zinc/37/66/41/656376641.db2.gz AESHBECXNKHMNP-SSDOTTSWSA-N 1 2 278.316 -1.406 20 0 CAADLO COC(=O)[C@@H]1C[C@H]1C(=O)NCC1C[NH+](CC(N)=O)C1 ZINC001031579559 656376659 /nfs/dbraw/zinc/37/66/59/656376659.db2.gz RDKPEZGLXYAALP-RKDXNWHRSA-N 1 2 269.301 -1.671 20 0 CAADLO Cn1nccc1C(=O)NCC1C[NH+]([C@H]2CCNC2=O)C1 ZINC001031575918 656376667 /nfs/dbraw/zinc/37/66/67/656376667.db2.gz MTMATNSFPLOEBA-NSHDSACASA-N 1 2 277.328 -1.030 20 0 CAADLO CNC(=O)C[NH+]1CC(CNC(=O)c2ccnn2C)C1 ZINC001031575710 656376810 /nfs/dbraw/zinc/37/68/10/656376810.db2.gz FPCURXVGQRXFEE-UHFFFAOYSA-N 1 2 265.317 -1.172 20 0 CAADLO Cc1c(C(=O)NCC2C[NH+]([C@H]3CCNC3=O)C2)nnn1C ZINC001031592774 656377220 /nfs/dbraw/zinc/37/72/20/656377220.db2.gz CEZIZJFOGSYMLQ-JTQLQIEISA-N 1 2 292.343 -1.326 20 0 CAADLO CNC(=O)[C@@H](C)[NH+]1CC(CNC(=O)c2nnn(C)c2C)C1 ZINC001031591398 656377306 /nfs/dbraw/zinc/37/73/06/656377306.db2.gz MVKCAFXUMGHJRV-SECBINFHSA-N 1 2 294.359 -1.080 20 0 CAADLO CNC(=O)C[NH+]1CC(CNC(=O)c2nnn(C)c2C)C1 ZINC001031592506 656377606 /nfs/dbraw/zinc/37/76/06/656377606.db2.gz PUGRTQAHPUNEMQ-UHFFFAOYSA-N 1 2 280.332 -1.469 20 0 CAADLO O=C(NCC1C[NH+]([C@@H]2CCNC2=O)C1)[C@@H]1CCNC(=O)C1 ZINC001031613356 656377794 /nfs/dbraw/zinc/37/77/94/656377794.db2.gz MCQCBIRWUULFRO-GHMZBOCLSA-N 1 2 294.355 -1.551 20 0 CAADLO CNC(=O)C[NH+]1CC(CNC(=O)[C@@H]2COCCN2C)C1 ZINC001031622323 656377835 /nfs/dbraw/zinc/37/78/35/656377835.db2.gz YXAWECCOTXAVJU-NSHDSACASA-N 1 2 284.360 -1.889 20 0 CAADLO C[C@@H](C(N)=O)[NH+]1CC(CNC(=O)[C@@H]2CCNC(=O)C2)C1 ZINC001031611623 656377842 /nfs/dbraw/zinc/37/78/42/656377842.db2.gz SLFIZJQFPWUGCZ-WCBMZHEXSA-N 1 2 282.344 -1.566 20 0 CAADLO NC(=O)C(=O)N1CC(NC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC000994621517 656377859 /nfs/dbraw/zinc/37/78/59/656377859.db2.gz CNYPOCYBJMNBOT-QMMMGPOBSA-N 1 2 291.311 -1.742 20 0 CAADLO C[C@H](C(N)=O)[NH+]1CC(CNC(=O)[C@@H]2COCCN2C)C1 ZINC001031621195 656377888 /nfs/dbraw/zinc/37/78/88/656377888.db2.gz GKGQBCLOYMDQAC-KOLCDFICSA-N 1 2 284.360 -1.761 20 0 CAADLO O=C(NCC1C[NH+]([C@@H]2CCNC2=O)C1)[C@H]1CCNC(=O)C1 ZINC001031613359 656378306 /nfs/dbraw/zinc/37/83/06/656378306.db2.gz MCQCBIRWUULFRO-WDEREUQCSA-N 1 2 294.355 -1.551 20 0 CAADLO C[C@H](C(N)=O)[NH+]1CC(CNC(=O)[C@@H]2CCNC(=O)C2)C1 ZINC001031611621 656378343 /nfs/dbraw/zinc/37/83/43/656378343.db2.gz SLFIZJQFPWUGCZ-PSASIEDQSA-N 1 2 282.344 -1.566 20 0 CAADLO CNC(=O)C[NH+]1CC(CNC(=O)c2cnn(C)c2N)C1 ZINC001031628257 656378626 /nfs/dbraw/zinc/37/86/26/656378626.db2.gz FFSAXXSSNZUZPK-UHFFFAOYSA-N 1 2 280.332 -1.590 20 0 CAADLO CN(C)C(=O)C[NH+]1CC(CNC(=O)c2cnn(C)c2N)C1 ZINC001031629264 656379059 /nfs/dbraw/zinc/37/90/59/656379059.db2.gz NQDBPQSJSFRKGF-UHFFFAOYSA-N 1 2 294.359 -1.248 20 0 CAADLO NC(=O)C[NH+]1CC(CNC(=O)C2=CCOCC2)C1 ZINC001031627254 656379186 /nfs/dbraw/zinc/37/91/86/656379186.db2.gz IAAPOZFVNBRLET-UHFFFAOYSA-N 1 2 253.302 -1.134 20 0 CAADLO C[C@H](C(N)=O)[NH+]1CC(CNC(=O)c2cnnn2C)C1 ZINC001031645312 656379454 /nfs/dbraw/zinc/37/94/54/656379454.db2.gz GXTJLEDRQJSSAO-SSDOTTSWSA-N 1 2 266.305 -1.650 20 0 CAADLO CN(C)S(=O)(=O)NCC[N@@H+]1CCC2(C1)OCCO2 ZINC000920103612 656379492 /nfs/dbraw/zinc/37/94/92/656379492.db2.gz WWTXHTOYGIAXHY-UHFFFAOYSA-N 1 2 279.362 -1.169 20 0 CAADLO CN(C)S(=O)(=O)NCC[N@H+]1CCC2(C1)OCCO2 ZINC000920103612 656379495 /nfs/dbraw/zinc/37/94/95/656379495.db2.gz WWTXHTOYGIAXHY-UHFFFAOYSA-N 1 2 279.362 -1.169 20 0 CAADLO C[C@H](C(N)=O)[NH+]1CC(CNC(=O)[C@@H]2COC(=O)N2)C1 ZINC001031643521 656379607 /nfs/dbraw/zinc/37/96/07/656379607.db2.gz UXWKFGNCJNVXCO-SVRRBLITSA-N 1 2 270.289 -1.983 20 0 CAADLO C[C@H](C(N)=O)[NH+]1CC(CNC(=O)[C@H]2COC(=O)N2)C1 ZINC001031643519 656379627 /nfs/dbraw/zinc/37/96/27/656379627.db2.gz UXWKFGNCJNVXCO-HTRCEHHLSA-N 1 2 270.289 -1.983 20 0 CAADLO CC(=O)N1CC(C(=O)NCC2C[NH+](CC(N)=O)C2)C1 ZINC001031637065 656379635 /nfs/dbraw/zinc/37/96/35/656379635.db2.gz SHCSQRFKTWVTNX-UHFFFAOYSA-N 1 2 268.317 -2.002 20 0 CAADLO Cn1oc(C(=O)NCC2C[NH+](CC(N)=O)C2)cc1=O ZINC001031636586 656379918 /nfs/dbraw/zinc/37/99/18/656379918.db2.gz HCTNSEFMKWWMSK-UHFFFAOYSA-N 1 2 268.273 -1.875 20 0 CAADLO C[C@@H](C(N)=O)[NH+]1CC(CNC(=O)[C@H]2COC(=O)N2)C1 ZINC001031643520 656380034 /nfs/dbraw/zinc/38/00/34/656380034.db2.gz UXWKFGNCJNVXCO-POYBYMJQSA-N 1 2 270.289 -1.983 20 0 CAADLO CC(=O)N1CC(C(=O)NCC2C[NH+]([C@H]3CCNC3=O)C2)C1 ZINC001031637151 656380045 /nfs/dbraw/zinc/38/00/45/656380045.db2.gz UDCHEDBEVCVWTA-LBPRGKRZSA-N 1 2 294.355 -1.599 20 0 CAADLO O=C(C[NH+]1CC(CNC(=O)[C@@H]2COC(=O)N2)C1)NC1CC1 ZINC001031647741 656380225 /nfs/dbraw/zinc/38/02/25/656380225.db2.gz RMOPBUONLYIMAP-JTQLQIEISA-N 1 2 296.327 -1.579 20 0 CAADLO CN(C)C(=O)C[NH+]1CC(CNC(=O)c2ncn(C)n2)C1 ZINC001031648696 656380295 /nfs/dbraw/zinc/38/02/95/656380295.db2.gz ZXGRPMWNNVEPKS-UHFFFAOYSA-N 1 2 280.332 -1.435 20 0 CAADLO NC(=O)C[NH+]1CC(CNC(=O)[C@@H]2COC(=O)N2)C1 ZINC001031646375 656380503 /nfs/dbraw/zinc/38/05/03/656380503.db2.gz APQZMBDLDIVOQW-ZETCQYMHSA-N 1 2 256.262 -2.372 20 0 CAADLO O=C(NCC1C[NH+]([C@@H]2CCNC2=O)C1)[C@@H]1COC(=O)N1 ZINC001031647719 656380513 /nfs/dbraw/zinc/38/05/13/656380513.db2.gz QUQFMEIBPWWKHD-DTWKUNHWSA-N 1 2 282.300 -1.969 20 0 CAADLO O=C(C[NH+]1CC(CNC(=O)[C@@H]2COC(=O)N2)C1)N1CCC1 ZINC001031647713 656380517 /nfs/dbraw/zinc/38/05/17/656380517.db2.gz QSLHXRWWTBAVAA-JTQLQIEISA-N 1 2 296.327 -1.625 20 0 CAADLO C[C@H](C(N)=O)[NH+]1CC(CNC(=O)c2ncn(C)n2)C1 ZINC001031649456 656380623 /nfs/dbraw/zinc/38/06/23/656380623.db2.gz BFHTZADOAXIBQT-SSDOTTSWSA-N 1 2 266.305 -1.650 20 0 CAADLO Cn1cc(C(=O)NCC2C[NH+](CC(=O)N3CCC3)C2)nn1 ZINC001031649857 656380696 /nfs/dbraw/zinc/38/06/96/656380696.db2.gz NPHGVVAJLSZYND-UHFFFAOYSA-N 1 2 292.343 -1.291 20 0 CAADLO CN(C)C(=O)C[NH+]1CC(CNC(=O)[C@@H]2COC(=O)N2)C1 ZINC001031646936 656380822 /nfs/dbraw/zinc/38/08/22/656380822.db2.gz GIFRRXPAWNKRCQ-VIFPVBQESA-N 1 2 284.316 -1.769 20 0 CAADLO Cn1cnc(C(=O)NCC2C[NH+]([C@@H]3CCNC3=O)C2)n1 ZINC001031648230 656380834 /nfs/dbraw/zinc/38/08/34/656380834.db2.gz KFGJEYGTMGXLGU-SECBINFHSA-N 1 2 278.316 -1.635 20 0 CAADLO CNC(=O)C[NH+]1CC(CNC(=O)c2ncn(C)n2)C1 ZINC001031647984 656380842 /nfs/dbraw/zinc/38/08/42/656380842.db2.gz FCEDGXXUZXEMAN-UHFFFAOYSA-N 1 2 266.305 -1.777 20 0 CAADLO CCn1nncc1C(=O)NCC1C[NH+](CC(N)=O)C1 ZINC001031655018 656381019 /nfs/dbraw/zinc/38/10/19/656381019.db2.gz RMZSCWSPVQDHKY-UHFFFAOYSA-N 1 2 266.305 -1.555 20 0 CAADLO CCn1nncc1C(=O)NCC1C[NH+]([C@@H]2CCNC2=O)C1 ZINC001031655081 656381025 /nfs/dbraw/zinc/38/10/25/656381025.db2.gz TXYRKUSAIFZTTL-SNVBAGLBSA-N 1 2 292.343 -1.152 20 0 CAADLO CNC(=O)[C@H](C)[NH+]1CC(CNC(=O)c2cn(C)nn2)C1 ZINC001031651396 656381213 /nfs/dbraw/zinc/38/12/13/656381213.db2.gz QJEOTICZMHEMHC-QMMMGPOBSA-N 1 2 280.332 -1.389 20 0 CAADLO CCOC(=O)NCC(=O)NC[C@H](O)C[NH+]1CCOCC1 ZINC000920445120 656381249 /nfs/dbraw/zinc/38/12/49/656381249.db2.gz MGHFHCPAJKWJDU-JTQLQIEISA-N 1 2 289.332 -1.458 20 0 CAADLO CCn1ncc(C(=O)NCC2C[NH+]([C@H](C)C(N)=O)C2)n1 ZINC001031652120 656381269 /nfs/dbraw/zinc/38/12/69/656381269.db2.gz ULRREPONGYUUKY-MRVPVSSYSA-N 1 2 280.332 -1.167 20 0 CAADLO CNC(=O)[C@@H](C)[NH+]1CC(CNC(=O)c2ncn(C)n2)C1 ZINC001031652436 656381287 /nfs/dbraw/zinc/38/12/87/656381287.db2.gz HIBOAMGNZVTGJA-MRVPVSSYSA-N 1 2 280.332 -1.389 20 0 CAADLO O=C(NCC1C[NH+]([C@@H]2CCNC2=O)C1)c1ncc[nH]1 ZINC001031658457 656381305 /nfs/dbraw/zinc/38/13/05/656381305.db2.gz HHNXKYGPNFOCKH-SECBINFHSA-N 1 2 263.301 -1.040 20 0 CAADLO O=C(NCC1C[NH+]([C@H]2CCNC2=O)C1)c1ncc[nH]1 ZINC001031658458 656381534 /nfs/dbraw/zinc/38/15/34/656381534.db2.gz HHNXKYGPNFOCKH-VIFPVBQESA-N 1 2 263.301 -1.040 20 0 CAADLO CCn1ncc(C(=O)NCC2C[NH+](CC(=O)NC)C2)n1 ZINC001031654540 656381543 /nfs/dbraw/zinc/38/15/43/656381543.db2.gz XZDYRBVBBPMVTL-UHFFFAOYSA-N 1 2 280.332 -1.294 20 0 CAADLO CCOC(=O)NCC(=O)N1CCC[N@H+](CC(N)=O)CC1 ZINC000920449876 656381628 /nfs/dbraw/zinc/38/16/28/656381628.db2.gz VLXHMRZIXCHCKN-UHFFFAOYSA-N 1 2 286.332 -1.248 20 0 CAADLO CCOC(=O)NCC(=O)N1CCC[N@@H+](CC(N)=O)CC1 ZINC000920449876 656381631 /nfs/dbraw/zinc/38/16/31/656381631.db2.gz VLXHMRZIXCHCKN-UHFFFAOYSA-N 1 2 286.332 -1.248 20 0 CAADLO CCn1nncc1C(=O)NCC1C[NH+](CC(=O)NC)C1 ZINC001031653374 656381759 /nfs/dbraw/zinc/38/17/59/656381759.db2.gz AZCBXTCKOJTGQH-UHFFFAOYSA-N 1 2 280.332 -1.294 20 0 CAADLO C[C@@H](C(N)=O)[NH+]1CC(CNC(=O)[C@H]2C[C@@H](C)CC(=O)N2)C1 ZINC001031677240 656382238 /nfs/dbraw/zinc/38/22/38/656382238.db2.gz CAIIMNRAOXIBNG-WCABBAIRSA-N 1 2 296.371 -1.177 20 0 CAADLO COc1cc(C(=O)NCC2C[NH+](CC(N)=O)C2)ncn1 ZINC001031674360 656382593 /nfs/dbraw/zinc/38/25/93/656382593.db2.gz JSFZJWDXNWBSIT-UHFFFAOYSA-N 1 2 279.300 -1.368 20 0 CAADLO O=C(NCC1C[NH+]([C@@H]2CCNC2=O)C1)[C@]12C[C@H]1COC2 ZINC001031687168 656383405 /nfs/dbraw/zinc/38/34/05/656383405.db2.gz ONNDQBFUJCAWMC-WDMOLILDSA-N 1 2 279.340 -1.041 20 0 CAADLO O=C(NCC1C[NH+](CCCO)C1)C1CS(=O)(=O)C1 ZINC001031694587 656383493 /nfs/dbraw/zinc/38/34/93/656383493.db2.gz FRFVJCPOKKSYCB-UHFFFAOYSA-N 1 2 276.358 -1.539 20 0 CAADLO O=C(NCC1C[NH+](CCO)C1)C1CS(=O)(=O)C1 ZINC001031695091 656383510 /nfs/dbraw/zinc/38/35/10/656383510.db2.gz OVEKTWMHEPFINU-UHFFFAOYSA-N 1 2 262.331 -1.929 20 0 CAADLO CCN1C[C@@H](C(=O)NCC2C[NH+](CC(N)=O)C2)CC1=O ZINC001031708494 656384101 /nfs/dbraw/zinc/38/41/01/656384101.db2.gz CSBDNYWCBANJAW-JTQLQIEISA-N 1 2 282.344 -1.612 20 0 CAADLO C[N@@H+]1CC[C@H]1CNS(=O)(=O)[C@@H]1COC[C@H]1O ZINC000921412705 656384209 /nfs/dbraw/zinc/38/42/09/656384209.db2.gz TZMWMDMGRMEPEL-DJLDLDEBSA-N 1 2 250.320 -1.630 20 0 CAADLO C[N@H+]1CC[C@H]1CNS(=O)(=O)[C@@H]1COC[C@H]1O ZINC000921412705 656384214 /nfs/dbraw/zinc/38/42/14/656384214.db2.gz TZMWMDMGRMEPEL-DJLDLDEBSA-N 1 2 250.320 -1.630 20 0 CAADLO CCN1C[C@@H](C(=O)NCC2C[NH+](CC(=O)NC)C2)CC1=O ZINC001031708612 656384566 /nfs/dbraw/zinc/38/45/66/656384566.db2.gz FEXXPCZUGRHCMK-NSHDSACASA-N 1 2 296.371 -1.351 20 0 CAADLO CN1C[C@@H](C(=O)NCC2C[NH+](CC(N)=O)C2)CC1=O ZINC001031712318 656384725 /nfs/dbraw/zinc/38/47/25/656384725.db2.gz VZBOLTKCAUWLNM-VIFPVBQESA-N 1 2 268.317 -2.002 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+]1CC[C@@H](NC(=O)c2cnn(C)n2)C1 ZINC001015841905 656385001 /nfs/dbraw/zinc/38/50/01/656385001.db2.gz JIUCAVXLOGMCLT-DTWKUNHWSA-N 1 2 280.332 -1.246 20 0 CAADLO CNC(=O)[C@H](C)[N@H+]1CC[C@@H](NC(=O)c2cnn(C)n2)C1 ZINC001015841905 656385004 /nfs/dbraw/zinc/38/50/04/656385004.db2.gz JIUCAVXLOGMCLT-DTWKUNHWSA-N 1 2 280.332 -1.246 20 0 CAADLO CCN1C[C@@H](C(=O)NCC2C[NH+]([C@@H](C)C(N)=O)C2)CC1=O ZINC001031709736 656385088 /nfs/dbraw/zinc/38/50/88/656385088.db2.gz ROSOWEPVLGCFBK-ONGXEEELSA-N 1 2 296.371 -1.223 20 0 CAADLO Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CCN(C(=O)C(N)=O)C1 ZINC000938385646 656385378 /nfs/dbraw/zinc/38/53/78/656385378.db2.gz IZNSSIGVXGWRMG-QMMMGPOBSA-N 1 2 279.300 -1.537 20 0 CAADLO NC(=O)CC(=O)N1CC(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000994817222 656385813 /nfs/dbraw/zinc/38/58/13/656385813.db2.gz KYJZGGNPRADWJD-RKDXNWHRSA-N 1 2 291.311 -1.284 20 0 CAADLO NC(=O)CC(=O)N1CC(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC000994817222 656385816 /nfs/dbraw/zinc/38/58/16/656385816.db2.gz KYJZGGNPRADWJD-RKDXNWHRSA-N 1 2 291.311 -1.284 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+]1CC[C@H](NC(=O)c2cnn(C)n2)C1 ZINC001015841914 656385873 /nfs/dbraw/zinc/38/58/73/656385873.db2.gz JIUCAVXLOGMCLT-IUCAKERBSA-N 1 2 280.332 -1.246 20 0 CAADLO CNC(=O)[C@H](C)[N@H+]1CC[C@H](NC(=O)c2cnn(C)n2)C1 ZINC001015841914 656385875 /nfs/dbraw/zinc/38/58/75/656385875.db2.gz JIUCAVXLOGMCLT-IUCAKERBSA-N 1 2 280.332 -1.246 20 0 CAADLO NC(=O)C(=O)N1CC(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000994827605 656386683 /nfs/dbraw/zinc/38/66/83/656386683.db2.gz ONCCHUDJFSRSBN-HTQZYQBOSA-N 1 2 277.284 -1.675 20 0 CAADLO NC(=O)C(=O)N1CC(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC000994827605 656386687 /nfs/dbraw/zinc/38/66/87/656386687.db2.gz ONCCHUDJFSRSBN-HTQZYQBOSA-N 1 2 277.284 -1.675 20 0 CAADLO NC(=O)CC(=O)N1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000938529201 656386840 /nfs/dbraw/zinc/38/68/40/656386840.db2.gz ADLIKFNCIXPKCR-QMMMGPOBSA-N 1 2 279.300 -1.455 20 0 CAADLO NC(=O)C[NH+]1CC(CNC(=O)c2cc3n(n2)CCO3)C1 ZINC001031734609 656387126 /nfs/dbraw/zinc/38/71/26/656387126.db2.gz XJWSQHOPZCHDNB-UHFFFAOYSA-N 1 2 279.300 -1.578 20 0 CAADLO NC(=O)C[NH+]1CC(CNC(=O)c2cnc3n[nH]nc3c2)C1 ZINC001031735479 656387219 /nfs/dbraw/zinc/38/72/19/656387219.db2.gz KZTAOYFLSLOWNG-UHFFFAOYSA-N 1 2 289.299 -1.500 20 0 CAADLO Cc1cn(C(C)(C)C(=O)NC2CN(C(=O)C(N)=O)C2)c[nH+]1 ZINC000994842842 656387240 /nfs/dbraw/zinc/38/72/40/656387240.db2.gz QRLOFHODASZNGF-UHFFFAOYSA-N 1 2 293.327 -1.261 20 0 CAADLO Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H](NC(=O)C(N)=O)C1 ZINC000938582108 656388205 /nfs/dbraw/zinc/38/82/05/656388205.db2.gz BLVHAOVOPCYFSC-QMMMGPOBSA-N 1 2 279.300 -1.537 20 0 CAADLO NC(=O)C(=O)N[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000938585526 656388533 /nfs/dbraw/zinc/38/85/33/656388533.db2.gz JLHWASKEBBISFM-QMMMGPOBSA-N 1 2 265.273 -1.915 20 0 CAADLO C[C@@H](C(N)=O)[NH+]1CC(CNC(=O)c2cc(=O)n(C)cn2)C1 ZINC001031740097 656388612 /nfs/dbraw/zinc/38/86/12/656388612.db2.gz PCEUUYDRSFDKTO-QMMMGPOBSA-N 1 2 293.327 -1.684 20 0 CAADLO NC(=O)C(=O)N[C@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC000938585867 656388772 /nfs/dbraw/zinc/38/87/72/656388772.db2.gz VGMUWRUSKJEKGK-VIFPVBQESA-N 1 2 279.300 -1.524 20 0 CAADLO C[C@H](C(N)=O)[NH+]1CC(CNC(=O)c2cc(=O)n(C)cn2)C1 ZINC001031740096 656388854 /nfs/dbraw/zinc/38/88/54/656388854.db2.gz PCEUUYDRSFDKTO-MRVPVSSYSA-N 1 2 293.327 -1.684 20 0 CAADLO C[C@@H]1OCCO[C@@H]1C(=O)NCC1C[NH+](CC(=O)N(C)C)C1 ZINC001031742318 656389765 /nfs/dbraw/zinc/38/97/65/656389765.db2.gz AKEXQEDHGOBPCX-GWCFXTLKSA-N 1 2 299.371 -1.074 20 0 CAADLO NC(=O)C[NH+]1CC(CNC(=O)c2cnc3n2CCOC3)C1 ZINC001031745996 656389823 /nfs/dbraw/zinc/38/98/23/656389823.db2.gz YRWWTUZOGUADLI-UHFFFAOYSA-N 1 2 293.327 -1.440 20 0 CAADLO O=C(NCC1C[NH+]([C@H]2CCNC2=O)C1)[C@@H]1CCCNC1=O ZINC001031749683 656390064 /nfs/dbraw/zinc/39/00/64/656390064.db2.gz ZZSVZCZTSIZCDW-MNOVXSKESA-N 1 2 294.355 -1.551 20 0 CAADLO Cc1[nH]c(=O)[nH]c1C(=O)NCC1C[NH+]([C@H](C)C(N)=O)C1 ZINC001031752695 656390313 /nfs/dbraw/zinc/39/03/13/656390313.db2.gz MGPIADZWCIBVQK-SSDOTTSWSA-N 1 2 281.316 -1.041 20 0 CAADLO O=C(NCC1C[NH+]([C@@H]2CCNC2=O)C1)[C@H]1CCCNC1=O ZINC001031749693 656390364 /nfs/dbraw/zinc/39/03/64/656390364.db2.gz ZZSVZCZTSIZCDW-WDEREUQCSA-N 1 2 294.355 -1.551 20 0 CAADLO C[C@H](C(N)=O)[NH+]1CC(CNC(=O)[C@H]2CCCNC2=O)C1 ZINC001031748205 656390480 /nfs/dbraw/zinc/39/04/80/656390480.db2.gz XQFRAAVJYHVBOY-SCZZXKLOSA-N 1 2 282.344 -1.566 20 0 CAADLO C[C@@H](C(N)=O)[NH+]1CC(CNC(=O)[C@@H]2CCCNC2=O)C1 ZINC001031748207 656390508 /nfs/dbraw/zinc/39/05/08/656390508.db2.gz XQFRAAVJYHVBOY-WCBMZHEXSA-N 1 2 282.344 -1.566 20 0 CAADLO C[C@H](C(N)=O)[NH+]1CC(CNC(=O)[C@@H]2CCCNC2=O)C1 ZINC001031748200 656390597 /nfs/dbraw/zinc/39/05/97/656390597.db2.gz XQFRAAVJYHVBOY-PSASIEDQSA-N 1 2 282.344 -1.566 20 0 CAADLO NC(=O)C[NH+]1CC(CNC(=O)[C@H]2CCCNC2=O)C1 ZINC001031748946 656390702 /nfs/dbraw/zinc/39/07/02/656390702.db2.gz LJBMDHLHCFIMKD-VIFPVBQESA-N 1 2 268.317 -1.954 20 0 CAADLO Cc1[nH]c(=O)[nH]c1C(=O)NCC1C[NH+](CC(N)=O)C1 ZINC001031752808 656390784 /nfs/dbraw/zinc/39/07/84/656390784.db2.gz QBHWDKBKXXVTTI-UHFFFAOYSA-N 1 2 267.289 -1.429 20 0 CAADLO CN(C)C(=O)C[NH+]1CC(CNC(=O)[C@@H]2CCCNC2=O)C1 ZINC001031749164 656390891 /nfs/dbraw/zinc/39/08/91/656390891.db2.gz QFFMAYPJAZNDRL-LLVKDONJSA-N 1 2 296.371 -1.351 20 0 CAADLO C[C@@H](C(N)=O)[NH+]1CC(CNC(=O)c2cnc[nH]c2=O)C1 ZINC001031757012 656390995 /nfs/dbraw/zinc/39/09/95/656390995.db2.gz DEQDDVPDUQWGSZ-ZETCQYMHSA-N 1 2 279.300 -1.282 20 0 CAADLO CNC(=O)C[NH+]1CC(CNC(=O)c2cnc[nH]c2=O)C1 ZINC001031758505 656391037 /nfs/dbraw/zinc/39/10/37/656391037.db2.gz VMWTXYIZLKJLPS-UHFFFAOYSA-N 1 2 279.300 -1.410 20 0 CAADLO CN(C)C(=O)C[NH+]1CC(CNC(=O)c2cnc[nH]c2=O)C1 ZINC001031758259 656391532 /nfs/dbraw/zinc/39/15/32/656391532.db2.gz RFYHXFJKDAAPHA-UHFFFAOYSA-N 1 2 293.327 -1.068 20 0 CAADLO NC(=O)C[NH+]1CC(CNC(=O)[C@H]2CCCC(=O)N2)C1 ZINC001031754867 656391570 /nfs/dbraw/zinc/39/15/70/656391570.db2.gz UHUXHPACWTXNGK-SECBINFHSA-N 1 2 268.317 -1.812 20 0 CAADLO COCCn1nccc1C(=O)NCC1C[NH+](CC(N)=O)C1 ZINC001031756938 656391742 /nfs/dbraw/zinc/39/17/42/656391742.db2.gz ASQXWTXFYRACNG-UHFFFAOYSA-N 1 2 295.343 -1.324 20 0 CAADLO C[C@@H](C(N)=O)[NH+]1CC(CNC(=O)[C@@H]2CCN(C)C(=O)C2)C1 ZINC001031778361 656391910 /nfs/dbraw/zinc/39/19/10/656391910.db2.gz WVWWWEKHJKDMQA-GXSJLCMTSA-N 1 2 296.371 -1.223 20 0 CAADLO CN1CC[C@H](C(=O)NCC2C[NH+](CC(N)=O)C2)CC1=O ZINC001031778409 656392003 /nfs/dbraw/zinc/39/20/03/656392003.db2.gz YIYPGHZXIANLMP-JTQLQIEISA-N 1 2 282.344 -1.612 20 0 CAADLO CN1CC[C@@H](C(=O)NCC2C[NH+](CC(N)=O)C2)CC1=O ZINC001031778410 656392062 /nfs/dbraw/zinc/39/20/62/656392062.db2.gz YIYPGHZXIANLMP-SNVBAGLBSA-N 1 2 282.344 -1.612 20 0 CAADLO C[C@H](C(N)=O)[NH+]1CC(CNC(=O)c2ccn(C)c(=O)c2)C1 ZINC001031776141 656392258 /nfs/dbraw/zinc/39/22/58/656392258.db2.gz PRBQNPLRUSBHJL-SECBINFHSA-N 1 2 292.339 -1.079 20 0 CAADLO CCN1CCOC[C@H]1C(=O)NCC1C[NH+]([C@@H](C)C(N)=O)C1 ZINC001031794777 656392410 /nfs/dbraw/zinc/39/24/10/656392410.db2.gz MLPAAVCDCOAQPD-JQWIXIFHSA-N 1 2 298.387 -1.371 20 0 CAADLO COCc1nn(C)cc1C(=O)NCC1C[NH+](CC(N)=O)C1 ZINC001031780288 656392433 /nfs/dbraw/zinc/39/24/33/656392433.db2.gz VVSSGYKDZLRFCO-UHFFFAOYSA-N 1 2 295.343 -1.287 20 0 CAADLO C[C@@H](C(N)=O)[NH+]1CC(CNC(=O)[C@H]2CCN(C)C(=O)C2)C1 ZINC001031778364 656392479 /nfs/dbraw/zinc/39/24/79/656392479.db2.gz WVWWWEKHJKDMQA-ONGXEEELSA-N 1 2 296.371 -1.223 20 0 CAADLO C[C@@H](C(N)=O)[NH+]1CC(CNC(=O)[C@H]2CCC(=O)NC2)C1 ZINC001031803030 656392760 /nfs/dbraw/zinc/39/27/60/656392760.db2.gz VBXKTBZZVLYJCB-WPRPVWTQSA-N 1 2 282.344 -1.566 20 0 CAADLO CNC(=O)C[NH+]1CC(CNC(=O)[C@H]2CCC(=O)NC2)C1 ZINC001031803986 656392935 /nfs/dbraw/zinc/39/29/35/656392935.db2.gz QDQBIHQMLMLLAG-JTQLQIEISA-N 1 2 282.344 -1.693 20 0 CAADLO O=C(Cn1cc[nH+]c1)NC1CN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC000994921256 656392990 /nfs/dbraw/zinc/39/29/90/656392990.db2.gz RYJLMARZAXQHNG-SECBINFHSA-N 1 2 292.299 -2.109 20 0 CAADLO O=C(Cn1cc[nH+]c1)NC1CN(C(=O)[C@H]2CCNC2=O)C1 ZINC000994918598 656393005 /nfs/dbraw/zinc/39/30/05/656393005.db2.gz UUUFPUZUXCJAAG-JTQLQIEISA-N 1 2 291.311 -1.654 20 0 CAADLO NC(=O)CC(=O)N1CC(NC(=O)Cn2cc[nH+]c2)C1 ZINC000994910853 656393154 /nfs/dbraw/zinc/39/31/54/656393154.db2.gz CDNOIQPRHMXSBC-UHFFFAOYSA-N 1 2 265.273 -1.915 20 0 CAADLO O=C(Cn1cc[nH+]c1)NC1CN(C(=O)[C@H]2COCCO2)C1 ZINC000994912280 656393259 /nfs/dbraw/zinc/39/32/59/656393259.db2.gz UJUCBAKZSQKXMN-LLVKDONJSA-N 1 2 294.311 -1.375 20 0 CAADLO O=C(Cn1cc[nH+]c1)NC1CN(C(=O)c2nc[nH]n2)C1 ZINC000994920120 656393344 /nfs/dbraw/zinc/39/33/44/656393344.db2.gz HHXCJGNMQDSQGW-UHFFFAOYSA-N 1 2 275.272 -1.358 20 0 CAADLO O=C(Cn1cc[nH+]c1)NC1CN(C(=O)[C@H]2COC(=O)N2)C1 ZINC000994911389 656393370 /nfs/dbraw/zinc/39/33/70/656393370.db2.gz JHRDPWCBDXONOF-SECBINFHSA-N 1 2 293.283 -1.682 20 0 CAADLO C[C@H]1C[C@H](C(=O)NCC2C[NH+](CC(N)=O)C2)CC(=O)N1 ZINC001031803100 656393385 /nfs/dbraw/zinc/39/33/85/656393385.db2.gz WJTCGKBBYVIAAY-WPRPVWTQSA-N 1 2 282.344 -1.566 20 0 CAADLO Cn1cnc(C(=O)N2CC(NC(=O)Cn3cc[nH+]c3)C2)n1 ZINC000994922906 656393391 /nfs/dbraw/zinc/39/33/91/656393391.db2.gz MEOHERUTGSAVAW-UHFFFAOYSA-N 1 2 289.299 -1.348 20 0 CAADLO O=C(Cn1cc[nH+]c1)NC1CN(C(=O)[C@@H]2CCNC2=O)C1 ZINC000994918599 656393438 /nfs/dbraw/zinc/39/34/38/656393438.db2.gz UUUFPUZUXCJAAG-SNVBAGLBSA-N 1 2 291.311 -1.654 20 0 CAADLO Cn1cc(C(=O)N2CC(NC(=O)Cn3cc[nH+]c3)C2)nn1 ZINC000994924584 656393773 /nfs/dbraw/zinc/39/37/73/656393773.db2.gz VKBHCRFUDXADBP-UHFFFAOYSA-N 1 2 289.299 -1.348 20 0 CAADLO Cn1nnc(C(=O)N2CC(NC(=O)Cn3cc[nH+]c3)C2)n1 ZINC000994928368 656394246 /nfs/dbraw/zinc/39/42/46/656394246.db2.gz ZADHUJOEQLOEOH-UHFFFAOYSA-N 1 2 290.287 -1.953 20 0 CAADLO NC(=O)C[NH+]1CC(CNC(=O)c2cn3cccnc3n2)C1 ZINC001031811764 656394271 /nfs/dbraw/zinc/39/42/71/656394271.db2.gz AZRLWQWAGIZQGR-UHFFFAOYSA-N 1 2 288.311 -1.124 20 0 CAADLO Cc1[nH+]c[nH]c1CC(=O)N(C)[C@H]1CCN(C(=O)C(N)=O)C1 ZINC000939369145 656395310 /nfs/dbraw/zinc/39/53/10/656395310.db2.gz HRIMTGKOZIPQIB-VIFPVBQESA-N 1 2 293.327 -1.195 20 0 CAADLO O=C(NCC1C[NH+](CCCO)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001031823916 656395821 /nfs/dbraw/zinc/39/58/21/656395821.db2.gz SDGTVOLQCTVAPS-LLVKDONJSA-N 1 2 290.385 -1.149 20 0 CAADLO CC(=O)N1CCC[C@@H](C(=O)NCC2C[NH+](CC(N)=O)C2)C1 ZINC001031827487 656395895 /nfs/dbraw/zinc/39/58/95/656395895.db2.gz IXHGRMSGHUMWDB-GFCCVEGCSA-N 1 2 296.371 -1.222 20 0 CAADLO C[C@H](C(N)=O)[NH+]1CC(CNC(=O)c2cncn2C)C1 ZINC001031818857 656396124 /nfs/dbraw/zinc/39/61/24/656396124.db2.gz FHTNOVJUEXEUDP-MRVPVSSYSA-N 1 2 265.317 -1.045 20 0 CAADLO O=C(NCC1C[NH+](CCO)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001031825074 656396175 /nfs/dbraw/zinc/39/61/75/656396175.db2.gz FBFQABYDBCEGIR-SNVBAGLBSA-N 1 2 276.358 -1.539 20 0 CAADLO C[C@@H](C(N)=O)[NH+]1CC(CNC(=O)c2cncn2C)C1 ZINC001031818858 656396211 /nfs/dbraw/zinc/39/62/11/656396211.db2.gz FHTNOVJUEXEUDP-QMMMGPOBSA-N 1 2 265.317 -1.045 20 0 CAADLO C[C@@H](O)C[NH+]1CC(CNC(=O)[C@H]2CCS(=O)(=O)C2)C1 ZINC001031825958 656396412 /nfs/dbraw/zinc/39/64/12/656396412.db2.gz ZKUHYILCEQHLHH-KOLCDFICSA-N 1 2 290.385 -1.150 20 0 CAADLO NC(=O)C[NH+]1CC(CNC(=O)[C@H]2CCCN(C(N)=O)C2)C1 ZINC001031826013 656396419 /nfs/dbraw/zinc/39/64/19/656396419.db2.gz ASQXIZKHYXZFCR-JTQLQIEISA-N 1 2 297.359 -1.690 20 0 CAADLO NC(=O)C[NH+]1CC(CNC(=O)c2ccnc3n[nH]nc32)C1 ZINC001031837699 656397224 /nfs/dbraw/zinc/39/72/24/656397224.db2.gz WPQFMIOKUMUDIU-UHFFFAOYSA-N 1 2 289.299 -1.500 20 0 CAADLO NC(=O)C[NH+]1CC(CNC(=O)c2cc3n(n2)CCCO3)C1 ZINC001031837695 656397452 /nfs/dbraw/zinc/39/74/52/656397452.db2.gz WNWGFLUTHJMTOM-UHFFFAOYSA-N 1 2 293.327 -1.188 20 0 CAADLO COc1cc(C(=O)NCC2C[NH+](CC(N)=O)C2)nn1C ZINC001031834328 656397499 /nfs/dbraw/zinc/39/74/99/656397499.db2.gz APGMJYNBKVBVKX-UHFFFAOYSA-N 1 2 281.316 -1.424 20 0 CAADLO COc1nccc(C(=O)NCC2C[NH+](CC(N)=O)C2)n1 ZINC001031839392 656397547 /nfs/dbraw/zinc/39/75/47/656397547.db2.gz VHJOYOYRDWPVBZ-UHFFFAOYSA-N 1 2 279.300 -1.368 20 0 CAADLO CNC(=O)C[NH+]1CC(CNC(=O)c2ccnc(OC)n2)C1 ZINC001031837791 656397595 /nfs/dbraw/zinc/39/75/95/656397595.db2.gz AIKRQUOHDTVFSV-UHFFFAOYSA-N 1 2 293.327 -1.107 20 0 CAADLO COc1cc(C(=O)NCC2C[NH+]([C@@H](C)C(N)=O)C2)nn1C ZINC001031834835 656397617 /nfs/dbraw/zinc/39/76/17/656397617.db2.gz SJMBKFPJHQAZSB-QMMMGPOBSA-N 1 2 295.343 -1.036 20 0 CAADLO C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1NC(=O)C(N)=O ZINC000939691323 656398965 /nfs/dbraw/zinc/39/89/65/656398965.db2.gz IFKYWYYBORFFFI-RKDXNWHRSA-N 1 2 279.300 -1.669 20 0 CAADLO C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1NC(=O)C(N)=O ZINC000939692619 656399035 /nfs/dbraw/zinc/39/90/35/656399035.db2.gz PBYCVOINLMHEQU-HTQZYQBOSA-N 1 2 279.300 -1.599 20 0 CAADLO C[C@@H]1CO[C@H](C(=O)NCC2C[NH+](CC(N)=O)C2)C1 ZINC001031858485 656399347 /nfs/dbraw/zinc/39/93/47/656399347.db2.gz APLVFIXSTMJEFO-WPRPVWTQSA-N 1 2 255.318 -1.055 20 0 CAADLO C[C@H]1CO[C@H](C(=O)NCC2C[NH+](CC(N)=O)C2)C1 ZINC001031858482 656399524 /nfs/dbraw/zinc/39/95/24/656399524.db2.gz APLVFIXSTMJEFO-SCZZXKLOSA-N 1 2 255.318 -1.055 20 0 CAADLO C[C@@H]1CO[C@@H](C(=O)NCC2C[NH+](CC(N)=O)C2)C1 ZINC001031858483 656399727 /nfs/dbraw/zinc/39/97/27/656399727.db2.gz APLVFIXSTMJEFO-WCBMZHEXSA-N 1 2 255.318 -1.055 20 0 CAADLO NC(=O)C[NH+]1CC(CNC(=O)c2cnc3nccn3c2)C1 ZINC001031847795 656399845 /nfs/dbraw/zinc/39/98/45/656399845.db2.gz FBEDCCVZGNSJGG-UHFFFAOYSA-N 1 2 288.311 -1.124 20 0 CAADLO C[C@@H](C(N)=O)[NH+]1CC(CNC(=O)c2cn(C)c(=O)cn2)C1 ZINC001031861545 656400074 /nfs/dbraw/zinc/40/00/74/656400074.db2.gz XPZINPZQZWWYHU-QMMMGPOBSA-N 1 2 293.327 -1.684 20 0 CAADLO Cn1cc(C(=O)NCC2C[NH+](CC(N)=O)C2)ncc1=O ZINC001031862993 656400361 /nfs/dbraw/zinc/40/03/61/656400361.db2.gz XLHVTBQPGMNYIS-UHFFFAOYSA-N 1 2 279.300 -2.073 20 0 CAADLO C[C@H](C(N)=O)[NH+]1CC(CNC(=O)c2cn(C)c(=O)cn2)C1 ZINC001031861544 656400370 /nfs/dbraw/zinc/40/03/70/656400370.db2.gz XPZINPZQZWWYHU-MRVPVSSYSA-N 1 2 293.327 -1.684 20 0 CAADLO C[C@@H](C(N)=O)[NH+]1CC(CNC(=O)[C@H]2CCNC(=O)CC2)C1 ZINC001031877313 656400732 /nfs/dbraw/zinc/40/07/32/656400732.db2.gz NMJYDDJEQPVCGZ-GXSJLCMTSA-N 1 2 296.371 -1.176 20 0 CAADLO CNC(=O)C[NH+]1CC(CNC(=O)[C@H]2CCNC(=O)CC2)C1 ZINC001031877662 656400838 /nfs/dbraw/zinc/40/08/38/656400838.db2.gz WILWCXAFEDZPIU-LLVKDONJSA-N 1 2 296.371 -1.303 20 0 CAADLO C[C@@H](C(N)=O)[NH+]1CC(CNC(=O)c2coc(C(N)=O)c2)C1 ZINC001031872280 656400897 /nfs/dbraw/zinc/40/08/97/656400897.db2.gz HZYGXGQTNAZTQK-ZETCQYMHSA-N 1 2 294.311 -1.086 20 0 CAADLO C[C@H](C(N)=O)[NH+]1CC(CNC(=O)[C@H]2CCNC(=O)CC2)C1 ZINC001031877315 656401052 /nfs/dbraw/zinc/40/10/52/656401052.db2.gz NMJYDDJEQPVCGZ-MWLCHTKSSA-N 1 2 296.371 -1.176 20 0 CAADLO CC[C@@H]1C[C@@H](C(=O)NCC2C[NH+](CC(N)=O)C2)CC(=O)N1 ZINC001031874847 656401098 /nfs/dbraw/zinc/40/10/98/656401098.db2.gz YWQHFGKEANFEIP-GHMZBOCLSA-N 1 2 296.371 -1.176 20 0 CAADLO NC(=O)C(=O)N1CC(NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC000995066776 656401420 /nfs/dbraw/zinc/40/14/20/656401420.db2.gz JWXKRMMLBZOZFE-UHFFFAOYSA-N 1 2 287.279 -1.011 20 0 CAADLO Cc1nn[nH]c1C(=O)NCC1C[NH+]([C@@H](C)C(N)=O)C1 ZINC001031892003 656402234 /nfs/dbraw/zinc/40/22/34/656402234.db2.gz ILOLVQPLIAVHEN-ZETCQYMHSA-N 1 2 266.305 -1.351 20 0 CAADLO Cc1nn[nH]c1C(=O)NCC1C[NH+]([C@@H]2CCNC2=O)C1 ZINC001031891051 656402404 /nfs/dbraw/zinc/40/24/04/656402404.db2.gz WATIXRRWIVOXCN-SECBINFHSA-N 1 2 278.316 -1.337 20 0 CAADLO O=C(C[NH+]1CC(CNC(=O)[C@@H]2CCNC2=O)C1)N1CCC1 ZINC001031897782 656402926 /nfs/dbraw/zinc/40/29/26/656402926.db2.gz ZJQGBYODEQCXAP-LLVKDONJSA-N 1 2 294.355 -1.597 20 0 CAADLO NC(=O)C[NH+]1CC(CNC(=O)c2ccn3nnnc3c2)C1 ZINC001031895974 656402983 /nfs/dbraw/zinc/40/29/83/656402983.db2.gz WZSNPPNXAKJKDR-UHFFFAOYSA-N 1 2 289.299 -1.729 20 0 CAADLO NC(=O)C[NH+]1CC(CNC(=O)[C@@H]2CC[C@@H]2C(N)=O)C1 ZINC001031899162 656403036 /nfs/dbraw/zinc/40/30/36/656403036.db2.gz NMGPJGSGXUKGNM-DTWKUNHWSA-N 1 2 268.317 -1.969 20 0 CAADLO CN(C)C(=O)C[NH+]1CC(CNC(=O)[C@H]2CC[C@H]2C(N)=O)C1 ZINC001031899586 656403082 /nfs/dbraw/zinc/40/30/82/656403082.db2.gz QWOKZSINKVXEJV-MNOVXSKESA-N 1 2 296.371 -1.366 20 0 CAADLO CNC(=O)C[NH+]1CC(CNC(=O)[C@@H]2CCNC2=O)C1 ZINC001031896344 656403097 /nfs/dbraw/zinc/40/30/97/656403097.db2.gz CRPQKPUHKAQRJK-SECBINFHSA-N 1 2 268.317 -2.084 20 0 CAADLO CNC(=O)C[NH+]1CC(CNC(=O)[C@H]2CCNC2=O)C1 ZINC001031896354 656403220 /nfs/dbraw/zinc/40/32/20/656403220.db2.gz CRPQKPUHKAQRJK-VIFPVBQESA-N 1 2 268.317 -2.084 20 0 CAADLO Cn1c(C(=O)NCC2C[NH+](CC(N)=O)C2)c[nH]c1=O ZINC001031899056 656403234 /nfs/dbraw/zinc/40/32/34/656403234.db2.gz QPZGUJZQIQZEDC-UHFFFAOYSA-N 1 2 267.289 -1.727 20 0 CAADLO CN1C[C@@H](C(=O)NCC2C[NH+](CC(N)=O)C2)NC1=O ZINC001031902015 656403751 /nfs/dbraw/zinc/40/37/51/656403751.db2.gz DWIFZSQICMQOAT-QMMMGPOBSA-N 1 2 269.305 -2.457 20 0 CAADLO CN(C)C(=O)C[NH+]1CC(CNC(=O)[C@@H]2CC[C@@H]2C(N)=O)C1 ZINC001031899590 656404014 /nfs/dbraw/zinc/40/40/14/656404014.db2.gz QWOKZSINKVXEJV-WDEREUQCSA-N 1 2 296.371 -1.366 20 0 CAADLO C[C@@H](C(N)=O)[NH+]1CC(CNC(=O)[C@@H]2CCNC2=O)C1 ZINC001031898902 656404201 /nfs/dbraw/zinc/40/42/01/656404201.db2.gz ORTHXGVEZSYHML-IONNQARKSA-N 1 2 268.317 -1.956 20 0 CAADLO C[C@@H](C(N)=O)[NH+]1CC(CNC(=O)[C@@H]2CCC(=O)N2C)C1 ZINC001031905741 656404352 /nfs/dbraw/zinc/40/43/52/656404352.db2.gz KIGFDZYSMPZIRA-WPRPVWTQSA-N 1 2 282.344 -1.471 20 0 CAADLO Cn1nnc(C(=O)NCC2C[NH+](Cc3ccnn3C)C2)n1 ZINC001031905008 656404473 /nfs/dbraw/zinc/40/44/73/656404473.db2.gz SKQSJQVOKBIMLK-UHFFFAOYSA-N 1 2 290.331 -1.195 20 0 CAADLO CNC(=O)[C@@H](C)[NH+]1CC(CNC(=O)c2nnn(C)n2)C1 ZINC001031905497 656404522 /nfs/dbraw/zinc/40/45/22/656404522.db2.gz FVVYERSBTGXOCO-SSDOTTSWSA-N 1 2 281.320 -1.994 20 0 CAADLO C[C@H](C(N)=O)[NH+]1CC(CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001031906714 656404635 /nfs/dbraw/zinc/40/46/35/656404635.db2.gz RPKOOAZFQFJRHM-SNXWAXQRSA-N 1 2 267.329 -1.199 20 0 CAADLO CNC(=O)[C@H](C)[NH+]1CC(CNC(=O)c2nnn(C)n2)C1 ZINC001031905498 656404677 /nfs/dbraw/zinc/40/46/77/656404677.db2.gz FVVYERSBTGXOCO-ZETCQYMHSA-N 1 2 281.320 -1.994 20 0 CAADLO CN(C)C(=O)C[NH+]1CC(CNC(=O)c2nnn(C)n2)C1 ZINC001031904813 656404786 /nfs/dbraw/zinc/40/47/86/656404786.db2.gz MAPSKDODBGBUFO-UHFFFAOYSA-N 1 2 281.320 -2.040 20 0 CAADLO C[C@H](C(N)=O)[NH+]1CC(CNC(=O)[C@@H]2CCC(=O)N2C)C1 ZINC001031905740 656404872 /nfs/dbraw/zinc/40/48/72/656404872.db2.gz KIGFDZYSMPZIRA-SCZZXKLOSA-N 1 2 282.344 -1.471 20 0 CAADLO CN1C(=O)CC[C@H]1C(=O)NCC1C[NH+]([C@H]2CCNC2=O)C1 ZINC001031901630 656404970 /nfs/dbraw/zinc/40/49/70/656404970.db2.gz JRUQPCSDVDMJJS-QWRGUYRKSA-N 1 2 294.355 -1.456 20 0 CAADLO CNC(=O)C[NH+]1CC(CNC(=O)[C@H]2CCN(C)C2=O)C1 ZINC001031910228 656405502 /nfs/dbraw/zinc/40/55/02/656405502.db2.gz JWXMATMRIFSSCI-SNVBAGLBSA-N 1 2 282.344 -1.741 20 0 CAADLO C[C@@H](C(N)=O)[NH+]1CC(CNC(=O)[C@@H]2CCN(C)C2=O)C1 ZINC001031908665 656405925 /nfs/dbraw/zinc/40/59/25/656405925.db2.gz ZSYYWYBDIDAEIH-WPRPVWTQSA-N 1 2 282.344 -1.614 20 0 CAADLO CN1CC[C@H](C(=O)NCC2C[NH+]([C@@H]3CCNC3=O)C2)C1=O ZINC001031911797 656406185 /nfs/dbraw/zinc/40/61/85/656406185.db2.gz DJJBZTJRKSGHMZ-GHMZBOCLSA-N 1 2 294.355 -1.599 20 0 CAADLO NC(=O)CC(=O)N1CC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000941302769 656408738 /nfs/dbraw/zinc/40/87/38/656408738.db2.gz TZLBYHWFFQSCJZ-SECBINFHSA-N 1 2 279.300 -1.524 20 0 CAADLO NC(=O)C[NH+]1CC(CNC(=O)c2c[nH]c(=O)cn2)C1 ZINC001031934034 656409176 /nfs/dbraw/zinc/40/91/76/656409176.db2.gz XONZTOINNLYLRY-UHFFFAOYSA-N 1 2 265.273 -2.083 20 0 CAADLO CNC(=O)C[NH+]1CC(CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001031943261 656410522 /nfs/dbraw/zinc/41/05/22/656410522.db2.gz YQIMNKKMEDRYSU-MRVPVSSYSA-N 1 2 269.305 -2.538 20 0 CAADLO C[C@H](C(N)=O)[NH+]1CC(CNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001031942929 656410538 /nfs/dbraw/zinc/41/05/38/656410538.db2.gz VICKAFRWLJSHRT-SVRRBLITSA-N 1 2 269.305 -2.410 20 0 CAADLO CNC(=O)C[NH+]1CC(CNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001031943262 656410858 /nfs/dbraw/zinc/41/08/58/656410858.db2.gz YQIMNKKMEDRYSU-QMMMGPOBSA-N 1 2 269.305 -2.538 20 0 CAADLO O=C(Cc1ccn[nH]1)N1CCN(C2C[NH+](CCO)C2)CC1 ZINC000941357249 656411613 /nfs/dbraw/zinc/41/16/13/656411613.db2.gz PQXRJXOTFWHPNC-UHFFFAOYSA-N 1 2 293.371 -1.227 20 0 CAADLO C[C@@H](C(N)=O)[NH+]1CC(CNC(=O)c2cn(C)c(=O)[nH]2)C1 ZINC001031950001 656414713 /nfs/dbraw/zinc/41/47/13/656414713.db2.gz ORYHHQOOHHLGSC-ZETCQYMHSA-N 1 2 281.316 -1.339 20 0 CAADLO Cn1c[nH+]cc1CC(=O)N[C@@H]1CCN(C(=O)CC(N)=O)C1 ZINC000941673508 656415593 /nfs/dbraw/zinc/41/55/93/656415593.db2.gz LYANTWOFIRJLHZ-SECBINFHSA-N 1 2 293.327 -1.445 20 0 CAADLO C[C@H](C(N)=O)[NH+]1CC(CNC(=O)c2cccc(=O)n2C)C1 ZINC001031965562 656415812 /nfs/dbraw/zinc/41/58/12/656415812.db2.gz KUCVMBQPVUZGNQ-SECBINFHSA-N 1 2 292.339 -1.079 20 0 CAADLO Cn1c[nH+]cc1CC(=O)N[C@@H]1CCN(C(=O)C(N)=O)C1 ZINC000941679553 656418983 /nfs/dbraw/zinc/41/89/83/656418983.db2.gz QLYOANMVAGCZNM-MRVPVSSYSA-N 1 2 279.300 -1.835 20 0 CAADLO NC(=O)C[NH+]1CC(CNC(=O)[C@H]2CCCCC(=O)N2)C1 ZINC001031970760 656443967 /nfs/dbraw/zinc/44/39/67/656443967.db2.gz GFBGJLVMLQBIIQ-SNVBAGLBSA-N 1 2 282.344 -1.422 20 0 CAADLO CNC(=O)C[NH+]1CC(CNC(=O)[C@@H]2CCCCC(=O)N2)C1 ZINC001031968558 656443552 /nfs/dbraw/zinc/44/35/52/656443552.db2.gz AGEWCBOMZYWSKS-NSHDSACASA-N 1 2 296.371 -1.161 20 0 CAADLO C[C@H](C(N)=O)[NH+]1CC(CNC(=O)[C@@H]2CCCCC(=O)N2)C1 ZINC001031970628 656443917 /nfs/dbraw/zinc/44/39/17/656443917.db2.gz AMIAZXCGBRWFPH-KOLCDFICSA-N 1 2 296.371 -1.033 20 0 CAADLO C[C@@H](C(N)=O)[NH+]1CC(CNC(=O)c2cc(C(N)=O)co2)C1 ZINC001031970324 656444547 /nfs/dbraw/zinc/44/45/47/656444547.db2.gz SETHFCJSEJCBAP-ZETCQYMHSA-N 1 2 294.311 -1.086 20 0 CAADLO Cc1[nH+]c[nH]c1CC(=O)N1CCCN(C(=O)C(N)=O)CC1 ZINC000941801105 656445842 /nfs/dbraw/zinc/44/58/42/656445842.db2.gz WGCUKJQBYBFZCE-UHFFFAOYSA-N 1 2 293.327 -1.193 20 0 CAADLO CNC(=O)C[NH+]1CC(CNC(=O)c2ccc(C(N)=O)[nH]2)C1 ZINC001031978485 656447082 /nfs/dbraw/zinc/44/70/82/656447082.db2.gz UIMUGMGMKFTPAY-UHFFFAOYSA-N 1 2 293.327 -1.479 20 0 CAADLO C[C@@H](C(N)=O)[NH+]1CC(CNC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001031979666 656447565 /nfs/dbraw/zinc/44/75/65/656447565.db2.gz DHZRJZPVBOJYAB-ZQARSLAVSA-N 1 2 268.317 -1.970 20 0 CAADLO C[C@@H](C(N)=O)[NH+]1CC(CNC(=O)[C@H]2C[C@H]2C(=O)N(C)C)C1 ZINC001031978875 656447716 /nfs/dbraw/zinc/44/77/16/656447716.db2.gz NQMFTPNHPLPZBF-INTQDDNPSA-N 1 2 296.371 -1.368 20 0 CAADLO NC(=O)C[NH+]1CC(CNC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001031981774 656449398 /nfs/dbraw/zinc/44/93/98/656449398.db2.gz RKSKDBCNNQJPET-SFYZADRCSA-N 1 2 254.290 -2.359 20 0 CAADLO C[C@@H](C(N)=O)[NH+]1CC(CNC(=O)c2ccc(C(N)=O)[nH]2)C1 ZINC001031982830 656449784 /nfs/dbraw/zinc/44/97/84/656449784.db2.gz FNTQFALWKOSSBG-ZETCQYMHSA-N 1 2 293.327 -1.351 20 0 CAADLO NC(=O)[C@@H]1C[C@@H]1C(=O)NCC1C[NH+]([C@@H]2CCNC2=O)C1 ZINC001031982444 656450200 /nfs/dbraw/zinc/45/02/00/656450200.db2.gz QHIJQQBPAAUTRY-KXUCPTDWSA-N 1 2 280.328 -1.956 20 0 CAADLO CCn1nc(C(=O)N[C@H]2CC[N@H+](CC(N)=O)C2)ccc1=O ZINC001015869717 656453993 /nfs/dbraw/zinc/45/39/93/656453993.db2.gz PBLHANRGDAXLBW-VIFPVBQESA-N 1 2 293.327 -1.447 20 0 CAADLO CCn1nc(C(=O)N[C@H]2CC[N@@H+](CC(N)=O)C2)ccc1=O ZINC001015869717 656453998 /nfs/dbraw/zinc/45/39/98/656453998.db2.gz PBLHANRGDAXLBW-VIFPVBQESA-N 1 2 293.327 -1.447 20 0 CAADLO NC(=O)C(=O)N[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000942308263 656457793 /nfs/dbraw/zinc/45/77/93/656457793.db2.gz QGOJXPQBKOFSQN-SSDOTTSWSA-N 1 2 265.273 -1.845 20 0 CAADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@@H](NC(=O)C(N)=O)C1 ZINC000942309303 656458698 /nfs/dbraw/zinc/45/86/98/656458698.db2.gz WLMTXFMCZJPTIU-DTWKUNHWSA-N 1 2 293.327 -1.209 20 0 CAADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@@H](NC(=O)C(N)=O)C1 ZINC000942309303 656458702 /nfs/dbraw/zinc/45/87/02/656458702.db2.gz WLMTXFMCZJPTIU-DTWKUNHWSA-N 1 2 293.327 -1.209 20 0 CAADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@@H](NC(=O)C(N)=O)C1 ZINC000942309304 656458838 /nfs/dbraw/zinc/45/88/38/656458838.db2.gz WLMTXFMCZJPTIU-RKDXNWHRSA-N 1 2 293.327 -1.209 20 0 CAADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@@H](NC(=O)C(N)=O)C1 ZINC000942309304 656458839 /nfs/dbraw/zinc/45/88/39/656458839.db2.gz WLMTXFMCZJPTIU-RKDXNWHRSA-N 1 2 293.327 -1.209 20 0 CAADLO C[C@@H](C(N)=O)[NH+]1CC(CNC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001032013437 656459608 /nfs/dbraw/zinc/45/96/08/656459608.db2.gz BZSAZFLWQKULMW-XPUUQOCRSA-N 1 2 297.315 -2.494 20 0 CAADLO O=C(NCC1C[NH+](CCO)C1)C1CCS(=O)(=O)CC1 ZINC001032020117 656460458 /nfs/dbraw/zinc/46/04/58/656460458.db2.gz XBWIMYWMTDPREC-UHFFFAOYSA-N 1 2 290.385 -1.149 20 0 CAADLO NC(=O)C[NH+]1CC(CNC(=O)[C@@H]2CCC[C@H](C(N)=O)C2)C1 ZINC001032020928 656460561 /nfs/dbraw/zinc/46/05/61/656460561.db2.gz ZFKOWHSQFCCQIH-WDEREUQCSA-N 1 2 296.371 -1.189 20 0 CAADLO Cn1cc(C(=O)NCC2C[NH+](CCF)C2)c(=O)n(C)c1=O ZINC001032021114 656460585 /nfs/dbraw/zinc/46/05/85/656460585.db2.gz HEQUVRYZSWMXTQ-UHFFFAOYSA-N 1 2 298.318 -1.285 20 0 CAADLO NC(=O)C(=O)N1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC000942514167 656460611 /nfs/dbraw/zinc/46/06/11/656460611.db2.gz XAZWRICQTGJVBA-SSDOTTSWSA-N 1 2 265.273 -1.845 20 0 CAADLO Cc1nnc(C[N@@H+]2CC[C@@H](NC(=O)C(N)=O)[C@@H](C)C2)[nH]1 ZINC000942591572 656460890 /nfs/dbraw/zinc/46/08/90/656460890.db2.gz LBEITOSOUFPNKG-IONNQARKSA-N 1 2 280.332 -1.075 20 0 CAADLO Cc1nnc(C[N@H+]2CC[C@@H](NC(=O)C(N)=O)[C@@H](C)C2)[nH]1 ZINC000942591572 656460892 /nfs/dbraw/zinc/46/08/92/656460892.db2.gz LBEITOSOUFPNKG-IONNQARKSA-N 1 2 280.332 -1.075 20 0 CAADLO C[C@@H]1C[N@H+](Cc2cnon2)CC[C@@H]1NC(=O)C(N)=O ZINC000942592042 656460919 /nfs/dbraw/zinc/46/09/19/656460919.db2.gz RUMNFWAKSZJWPO-APPZFPTMSA-N 1 2 267.289 -1.119 20 0 CAADLO C[C@@H]1C[N@@H+](Cc2cnon2)CC[C@@H]1NC(=O)C(N)=O ZINC000942592042 656460921 /nfs/dbraw/zinc/46/09/21/656460921.db2.gz RUMNFWAKSZJWPO-APPZFPTMSA-N 1 2 267.289 -1.119 20 0 CAADLO C[C@@H]1C[N@H+](Cc2cnn(C)n2)CC[C@@H]1NC(=O)C(N)=O ZINC000942592585 656461192 /nfs/dbraw/zinc/46/11/92/656461192.db2.gz ZRRXQSPVIHUPPH-SCZZXKLOSA-N 1 2 280.332 -1.373 20 0 CAADLO C[C@@H]1C[N@@H+](Cc2cnn(C)n2)CC[C@@H]1NC(=O)C(N)=O ZINC000942592585 656461196 /nfs/dbraw/zinc/46/11/96/656461196.db2.gz ZRRXQSPVIHUPPH-SCZZXKLOSA-N 1 2 280.332 -1.373 20 0 CAADLO C[C@H]1C[N@H+](Cc2cn(C)nn2)CC[C@@H]1NC(=O)C(N)=O ZINC000942591629 656461395 /nfs/dbraw/zinc/46/13/95/656461395.db2.gz MFPSOJGZJWZXOG-WPRPVWTQSA-N 1 2 280.332 -1.373 20 0 CAADLO C[C@H]1C[N@@H+](Cc2cn(C)nn2)CC[C@@H]1NC(=O)C(N)=O ZINC000942591629 656461399 /nfs/dbraw/zinc/46/13/99/656461399.db2.gz MFPSOJGZJWZXOG-WPRPVWTQSA-N 1 2 280.332 -1.373 20 0 CAADLO C[C@@H]1C[N@H+](Cc2ncnn2C)CC[C@@H]1NC(=O)C(N)=O ZINC000942590780 656461627 /nfs/dbraw/zinc/46/16/27/656461627.db2.gz AGPNMMROUURUBX-BDAKNGLRSA-N 1 2 280.332 -1.373 20 0 CAADLO C[C@@H]1C[N@@H+](Cc2ncnn2C)CC[C@@H]1NC(=O)C(N)=O ZINC000942590780 656461631 /nfs/dbraw/zinc/46/16/31/656461631.db2.gz AGPNMMROUURUBX-BDAKNGLRSA-N 1 2 280.332 -1.373 20 0 CAADLO Cc1nnc(C[N@@H+]2CC[C@@H](NC(=O)C(N)=O)[C@H](C)C2)[nH]1 ZINC000942591573 656461682 /nfs/dbraw/zinc/46/16/82/656461682.db2.gz LBEITOSOUFPNKG-VXNVDRBHSA-N 1 2 280.332 -1.075 20 0 CAADLO Cc1nnc(C[N@H+]2CC[C@@H](NC(=O)C(N)=O)[C@H](C)C2)[nH]1 ZINC000942591573 656461686 /nfs/dbraw/zinc/46/16/86/656461686.db2.gz LBEITOSOUFPNKG-VXNVDRBHSA-N 1 2 280.332 -1.075 20 0 CAADLO O=C(N[C@@H]1CC[N@@H+]([C@@H]2CCC(=O)NC2=O)C1)c1cnon1 ZINC001015877676 656462160 /nfs/dbraw/zinc/46/21/60/656462160.db2.gz XVZPXANGBUOVPZ-VXNVDRBHSA-N 1 2 293.283 -1.321 20 0 CAADLO O=C(N[C@@H]1CC[N@H+]([C@@H]2CCC(=O)NC2=O)C1)c1cnon1 ZINC001015877676 656462164 /nfs/dbraw/zinc/46/21/64/656462164.db2.gz XVZPXANGBUOVPZ-VXNVDRBHSA-N 1 2 293.283 -1.321 20 0 CAADLO NC(=O)C[NH+]1CC(CNC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001032051498 656462292 /nfs/dbraw/zinc/46/22/92/656462292.db2.gz QLCJWPMISHADBZ-UHFFFAOYSA-N 1 2 282.300 -2.428 20 0 CAADLO O=C(NCC1C[NH+](CCF)C1)C1CC2(C1)NC(=O)NC2=O ZINC001032048222 656462520 /nfs/dbraw/zinc/46/25/20/656462520.db2.gz VECDITCOYXINQW-UHFFFAOYSA-N 1 2 298.318 -1.008 20 0 CAADLO CNC(=O)[C@@H](C)[NH+]1CC(CNC(=O)c2cnn(C)n2)C1 ZINC001032051020 656462661 /nfs/dbraw/zinc/46/26/61/656462661.db2.gz NXEDYFGFOUAJEF-MRVPVSSYSA-N 1 2 280.332 -1.389 20 0 CAADLO C[C@@H](C(N)=O)[NH+]1CC(CNC(=O)c2cnon2)C1 ZINC001032063032 656463125 /nfs/dbraw/zinc/46/31/25/656463125.db2.gz NRCZLQVAOWKXHY-LURJTMIESA-N 1 2 253.262 -1.395 20 0 CAADLO C[C@H]1OCC[C@@H]1C(=O)NCC1C[NH+](CC(N)=O)C1 ZINC001032073588 656463343 /nfs/dbraw/zinc/46/33/43/656463343.db2.gz DPHULQCDSWIXFL-SCZZXKLOSA-N 1 2 255.318 -1.055 20 0 CAADLO CNC(=O)C[NH+]1CC(CNC(=O)c2cnon2)C1 ZINC001032062924 656463493 /nfs/dbraw/zinc/46/34/93/656463493.db2.gz MFMOYCYNMWUAMS-UHFFFAOYSA-N 1 2 253.262 -1.523 20 0 CAADLO NC(=O)C[NH+]1CC(CNC(=O)c2cc3ncccn3n2)C1 ZINC001032064043 656463685 /nfs/dbraw/zinc/46/36/85/656463685.db2.gz BNKSZGZPHXPOTL-UHFFFAOYSA-N 1 2 288.311 -1.124 20 0 CAADLO C[C@H](C(N)=O)[NH+]1CC(CNC(=O)c2cc(C(N)=O)c[nH]2)C1 ZINC001032074962 656463729 /nfs/dbraw/zinc/46/37/29/656463729.db2.gz ANSIKQCADHNSDW-SSDOTTSWSA-N 1 2 293.327 -1.351 20 0 CAADLO NC(=O)C(=O)N1CCCC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000943341956 656464239 /nfs/dbraw/zinc/46/42/39/656464239.db2.gz HPDLUXTYPSUGPR-SNVBAGLBSA-N 1 2 293.327 -1.134 20 0 CAADLO NC(=O)C(=O)N1CCCC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000943479704 656464323 /nfs/dbraw/zinc/46/43/23/656464323.db2.gz FNQKSMNMGIFEAP-SECBINFHSA-N 1 2 293.327 -1.065 20 0 CAADLO CNC(=O)C[NH+]1CC(CNC(=O)c2cc(C(N)=O)c[nH]2)C1 ZINC001032075331 656464365 /nfs/dbraw/zinc/46/43/65/656464365.db2.gz JDRNXZKHWWNHEV-UHFFFAOYSA-N 1 2 293.327 -1.479 20 0 CAADLO CCn1cc(C(=O)NCC2C[NH+](CC(=O)NC)C2)nn1 ZINC001032081236 656464472 /nfs/dbraw/zinc/46/44/72/656464472.db2.gz INKVWGGLYKZMED-UHFFFAOYSA-N 1 2 280.332 -1.294 20 0 CAADLO CCn1cc(C(=O)NCC2C[NH+]([C@H](C)C(N)=O)C2)nn1 ZINC001032081550 656464645 /nfs/dbraw/zinc/46/46/45/656464645.db2.gz SDVAGUGESYDCSU-MRVPVSSYSA-N 1 2 280.332 -1.167 20 0 CAADLO NC(=O)C(=O)N[C@H]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC000943766165 656465095 /nfs/dbraw/zinc/46/50/95/656465095.db2.gz FVJVLZRNMSJVFF-KYZUINATSA-N 1 2 293.327 -1.019 20 0 CAADLO NC(=O)C(=O)N[C@H]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000943764337 656465785 /nfs/dbraw/zinc/46/57/85/656465785.db2.gz XIHQQMCTOMRPNF-KYZUINATSA-N 1 2 293.327 -1.019 20 0 CAADLO NC(=O)C[NH+]1CC(CNC(=O)[C@H]2C[C@]23CCOC3)C1 ZINC001032117570 656465976 /nfs/dbraw/zinc/46/59/76/656465976.db2.gz YSMATYBFWWFVFD-MFKMUULPSA-N 1 2 267.329 -1.054 20 0 CAADLO CCC(=O)N1CC[C@@H](C(=O)NCC2C[NH+](CC(N)=O)C2)C1 ZINC001032108370 656466030 /nfs/dbraw/zinc/46/60/30/656466030.db2.gz GLGVLBAXVCUASZ-LLVKDONJSA-N 1 2 296.371 -1.222 20 0 CAADLO CCC(=O)N1CC[C@H](C(=O)NCC2C[NH+](CC(N)=O)C2)C1 ZINC001032108371 656466478 /nfs/dbraw/zinc/46/64/78/656466478.db2.gz GLGVLBAXVCUASZ-NSHDSACASA-N 1 2 296.371 -1.222 20 0 CAADLO CC(=O)N1CCC[C@H]1C(=O)NCC1C[NH+]([C@@H](C)C(N)=O)C1 ZINC001032139074 656466677 /nfs/dbraw/zinc/46/66/77/656466677.db2.gz UOUYAUYGUGDIMK-CABZTGNLSA-N 1 2 296.371 -1.081 20 0 CAADLO COCCn1cc(C(=O)NCC2C[NH+](CC(N)=O)C2)cn1 ZINC001032157308 656466703 /nfs/dbraw/zinc/46/67/03/656466703.db2.gz RJMKVQCVBXTCFL-UHFFFAOYSA-N 1 2 295.343 -1.324 20 0 CAADLO O=C(C[NH+]1CC(CNC(=O)[C@@H]2CCC(=O)N2)C1)NC1CC1 ZINC001032138136 656466741 /nfs/dbraw/zinc/46/67/41/656466741.db2.gz MXBKGSDMQVWGAH-NSHDSACASA-N 1 2 294.355 -1.408 20 0 CAADLO CN(C)C(=O)C[NH+]1CC(CNC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001032137460 656467117 /nfs/dbraw/zinc/46/71/17/656467117.db2.gz PFZVNGKEJJXGHG-JTQLQIEISA-N 1 2 282.344 -1.599 20 0 CAADLO C[C@@H]1C[N@H+](CC(N)=O)CC[C@@H]1NC(=O)Cc1nnc[nH]1 ZINC000944047141 656467208 /nfs/dbraw/zinc/46/72/08/656467208.db2.gz OIILDYOSAXEGKV-BDAKNGLRSA-N 1 2 280.332 -1.341 20 0 CAADLO C[C@@H]1C[N@@H+](CC(N)=O)CC[C@@H]1NC(=O)Cc1nnc[nH]1 ZINC000944047141 656467210 /nfs/dbraw/zinc/46/72/10/656467210.db2.gz OIILDYOSAXEGKV-BDAKNGLRSA-N 1 2 280.332 -1.341 20 0 CAADLO CNC(=O)C[NH+]1CC(CNC(=O)[C@@H]2CCN(C(C)=O)C2)C1 ZINC001032156164 656467231 /nfs/dbraw/zinc/46/72/31/656467231.db2.gz LPZLESGPAMQCRI-GFCCVEGCSA-N 1 2 296.371 -1.351 20 0 CAADLO CC(=O)N1CCC[C@H]1C(=O)NCC1C[NH+]([C@H](C)C(N)=O)C1 ZINC001032139075 656467366 /nfs/dbraw/zinc/46/73/66/656467366.db2.gz UOUYAUYGUGDIMK-SKDRFNHKSA-N 1 2 296.371 -1.081 20 0 CAADLO CC(=O)N1CCO[C@H](C(=O)NCC2C[NH+](CC(N)=O)C2)C1 ZINC001032164147 656467405 /nfs/dbraw/zinc/46/74/05/656467405.db2.gz SXWSKMQTZJXBFI-NSHDSACASA-N 1 2 298.343 -2.233 20 0 CAADLO CC(=O)N1CC[C@@H](C(=O)NCC2C[NH+](CC(N)=O)C2)C1 ZINC001032155397 656467440 /nfs/dbraw/zinc/46/74/40/656467440.db2.gz CWSAIQHHVHOWOX-LLVKDONJSA-N 1 2 282.344 -1.612 20 0 CAADLO C[C@H](C(N)=O)[NH+]1CC(CNC(=O)c2ccn(C)n2)C1 ZINC001032184156 656467942 /nfs/dbraw/zinc/46/79/42/656467942.db2.gz CGWKCJGZVREEFX-MRVPVSSYSA-N 1 2 265.317 -1.045 20 0 CAADLO NC(=O)C[NH+]1CC(CNC(=O)c2ccc(C(N)=O)cc2)C1 ZINC001032180341 656468043 /nfs/dbraw/zinc/46/80/43/656468043.db2.gz WBHMNVHZJHBPSA-UHFFFAOYSA-N 1 2 290.323 -1.068 20 0 CAADLO C[C@@H](C(N)=O)[NH+]1CC(CNC(=O)c2ccn(C)n2)C1 ZINC001032184158 656468174 /nfs/dbraw/zinc/46/81/74/656468174.db2.gz CGWKCJGZVREEFX-QMMMGPOBSA-N 1 2 265.317 -1.045 20 0 CAADLO C[C@@H](C(N)=O)[NH+]1CC(CNC(=O)c2c[nH]c(C(N)=O)c2)C1 ZINC001032187700 656468409 /nfs/dbraw/zinc/46/84/09/656468409.db2.gz AKLYDOFDFXZJFU-ZETCQYMHSA-N 1 2 293.327 -1.351 20 0 CAADLO C[C@H](C(N)=O)[NH+]1CC(CNC(=O)c2c[nH]c(C(N)=O)c2)C1 ZINC001032187699 656468417 /nfs/dbraw/zinc/46/84/17/656468417.db2.gz AKLYDOFDFXZJFU-SSDOTTSWSA-N 1 2 293.327 -1.351 20 0 CAADLO CNC(=O)C[NH+]1CC(CNC(=O)c2ccc(=O)n(C)n2)C1 ZINC001032171604 656468558 /nfs/dbraw/zinc/46/85/58/656468558.db2.gz XOHJPPNJFRBRLP-UHFFFAOYSA-N 1 2 293.327 -1.812 20 0 CAADLO Cn1ccc(C(=O)NCC2C[NH+](CC(N)=O)C2)n1 ZINC001032184469 656468615 /nfs/dbraw/zinc/46/86/15/656468615.db2.gz JGFSICOAHQNQDD-UHFFFAOYSA-N 1 2 251.290 -1.433 20 0 CAADLO Cn1nc(C(=O)NCC2C[NH+](CC(N)=O)C2)ccc1=O ZINC001032173123 656468624 /nfs/dbraw/zinc/46/86/24/656468624.db2.gz ONKGLWJHRJAZBB-UHFFFAOYSA-N 1 2 279.300 -2.073 20 0 CAADLO NC(=O)C[NH+]1CC(CNC(=O)c2ccc(=O)[nH]c2)C1 ZINC001032168893 656468752 /nfs/dbraw/zinc/46/87/52/656468752.db2.gz XCILECFPWYLAEX-UHFFFAOYSA-N 1 2 264.285 -1.066 20 0 CAADLO NC(=O)C[NH+]1CC(CNC(=O)c2cncc(C(N)=O)c2)C1 ZINC001032192208 656469202 /nfs/dbraw/zinc/46/92/02/656469202.db2.gz CLMUTIHCGWRMCJ-UHFFFAOYSA-N 1 2 291.311 -1.673 20 0 CAADLO CNC(=O)C[NH+]1CC(CNC(=O)c2c[nH]c(C(N)=O)c2)C1 ZINC001032187979 656469576 /nfs/dbraw/zinc/46/95/76/656469576.db2.gz JVIIALXOTRNZTK-UHFFFAOYSA-N 1 2 293.327 -1.479 20 0 CAADLO NC(=O)C[NH+]1CC(CNC(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001032194792 656470353 /nfs/dbraw/zinc/47/03/53/656470353.db2.gz WDIZYPRRKBGUKW-MRVPVSSYSA-N 1 2 290.345 -2.789 20 0 CAADLO NC(=O)C[NH+]1CC(CNC(=O)[C@H]2CCc3nncn3C2)C1 ZINC001032204172 656471125 /nfs/dbraw/zinc/47/11/25/656471125.db2.gz LOJZPVRYBXFCRA-JTQLQIEISA-N 1 2 292.343 -1.626 20 0 CAADLO NC(=O)C[NH+]1CC(CNC(=O)c2cc(C(N)=O)cs2)C1 ZINC001032210984 656472612 /nfs/dbraw/zinc/47/26/12/656472612.db2.gz WFHYCHMKNPGLLF-UHFFFAOYSA-N 1 2 296.352 -1.006 20 0 CAADLO CC(=O)N1CCC[C@@H]1C(=O)NCC1C[NH+]([C@@H](C)C(N)=O)C1 ZINC001032212958 656472702 /nfs/dbraw/zinc/47/27/02/656472702.db2.gz UOUYAUYGUGDIMK-JOYOIKCWSA-N 1 2 296.371 -1.081 20 0 CAADLO C[C@H](C(N)=O)[NH+]1CC(CNC(=O)[C@H]2CCC(=O)N(C)C2)C1 ZINC001032209556 656472929 /nfs/dbraw/zinc/47/29/29/656472929.db2.gz QGFWXDREUVJKRB-KOLCDFICSA-N 1 2 296.371 -1.223 20 0 CAADLO CNC(=O)C[NH+]1CC(CNC(=O)[C@@H]2CCCN2C(N)=O)C1 ZINC001032226346 656475277 /nfs/dbraw/zinc/47/52/77/656475277.db2.gz DMPFSAAOOIYWQO-JTQLQIEISA-N 1 2 297.359 -1.677 20 0 CAADLO CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1cc(=O)n(C)c(=O)n1C ZINC001032238166 656475434 /nfs/dbraw/zinc/47/54/34/656475434.db2.gz INJCBIZDTAAXMR-RYUDHWBXSA-N 1 2 292.339 -1.111 20 0 CAADLO CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cc(=O)n(C)c(=O)n1C ZINC001032238166 656475438 /nfs/dbraw/zinc/47/54/38/656475438.db2.gz INJCBIZDTAAXMR-RYUDHWBXSA-N 1 2 292.339 -1.111 20 0 CAADLO COCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCN1C(=O)CNC1=O ZINC001032237064 656475638 /nfs/dbraw/zinc/47/56/38/656475638.db2.gz RJOIMJKACZJQTL-UWVGGRQHSA-N 1 2 296.327 -1.530 20 0 CAADLO COCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCN1C(=O)CNC1=O ZINC001032237064 656475642 /nfs/dbraw/zinc/47/56/42/656475642.db2.gz RJOIMJKACZJQTL-UWVGGRQHSA-N 1 2 296.327 -1.530 20 0 CAADLO NC(=O)C[NH+]1CC(CNC(=O)c2ccc(C(N)=O)nc2)C1 ZINC001032224137 656475912 /nfs/dbraw/zinc/47/59/12/656475912.db2.gz UOYVCOKWMAIMJZ-UHFFFAOYSA-N 1 2 291.311 -1.673 20 0 CAADLO C[C@H](C(N)=O)[NH+]1CC(CNC(=O)[C@@H]2CCCN2C(N)=O)C1 ZINC001032226349 656475921 /nfs/dbraw/zinc/47/59/21/656475921.db2.gz DSNUESNHIIKKCW-SCZZXKLOSA-N 1 2 297.359 -1.549 20 0 CAADLO C[C@@H](C(N)=O)[NH+]1CC(CNC(=O)[C@@H]2CCCN2C(N)=O)C1 ZINC001032226350 656475964 /nfs/dbraw/zinc/47/59/64/656475964.db2.gz DSNUESNHIIKKCW-WPRPVWTQSA-N 1 2 297.359 -1.549 20 0 CAADLO Cn1ncc(C(=O)NC2CN(C(=O)Cc3[nH]cc[nH+]3)C2)n1 ZINC000995693336 656477533 /nfs/dbraw/zinc/47/75/33/656477533.db2.gz GZJFMDRPEAJAAK-UHFFFAOYSA-N 1 2 289.299 -1.279 20 0 CAADLO C[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CC[C@H]1NC(=O)C(N)=O ZINC000945480059 656478346 /nfs/dbraw/zinc/47/83/46/656478346.db2.gz FKZJFQHYFHUGGP-DTWKUNHWSA-N 1 2 293.327 -1.209 20 0 CAADLO Cn1ncc(C(=O)NC2CN(C(=O)Cn3cc[nH+]c3)C2)n1 ZINC000995701698 656479291 /nfs/dbraw/zinc/47/92/91/656479291.db2.gz MSCJLLXXPVPRHA-UHFFFAOYSA-N 1 2 289.299 -1.348 20 0 CAADLO C[C@H]1CN(C(=O)C(N)=O)CC[C@@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC000945487153 656479411 /nfs/dbraw/zinc/47/94/11/656479411.db2.gz QNLPJKDBCNHVDP-IUCAKERBSA-N 1 2 293.327 -1.209 20 0 CAADLO C[C@H]1CN(C(=O)C(N)=O)CC[C@@H]1NC(=O)Cn1cc[nH+]c1 ZINC000945499116 656479774 /nfs/dbraw/zinc/47/97/74/656479774.db2.gz OSQXIRGSFZSCMH-UWVGGRQHSA-N 1 2 293.327 -1.278 20 0 CAADLO C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC[C@@H]1NC(=O)C(N)=O ZINC000945546795 656480309 /nfs/dbraw/zinc/48/03/09/656480309.db2.gz FTIHTWBMDSKUDA-WPRPVWTQSA-N 1 2 293.327 -1.209 20 0 CAADLO CC[C@H](C(N)=O)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1cnnn1 ZINC001032269161 656480397 /nfs/dbraw/zinc/48/03/97/656480397.db2.gz GJUOOLVPKKHBQP-LPEHRKFASA-N 1 2 293.331 -1.778 20 0 CAADLO CC[C@H](C(N)=O)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1cnnn1 ZINC001032269161 656480406 /nfs/dbraw/zinc/48/04/06/656480406.db2.gz GJUOOLVPKKHBQP-LPEHRKFASA-N 1 2 293.331 -1.778 20 0 CAADLO C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC[C@@H]1NC(=O)C(N)=O ZINC000945546793 656481158 /nfs/dbraw/zinc/48/11/58/656481158.db2.gz FTIHTWBMDSKUDA-SCZZXKLOSA-N 1 2 293.327 -1.209 20 0 CAADLO C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC[C@H]1NC(=O)C(N)=O ZINC000945546794 656481308 /nfs/dbraw/zinc/48/13/08/656481308.db2.gz FTIHTWBMDSKUDA-WCBMZHEXSA-N 1 2 293.327 -1.209 20 0 CAADLO Cn1ncc(C(=O)NC2CN(C(=O)Cc3c[nH+]c[nH]3)C2)n1 ZINC000995712364 656483261 /nfs/dbraw/zinc/48/32/61/656483261.db2.gz WICGAJBIMQWMSS-UHFFFAOYSA-N 1 2 289.299 -1.279 20 0 CAADLO Cn1nnnc1C[NH2+][C@H]1CN(C(=O)C(N)=O)CC1(C)C ZINC000996219139 656487213 /nfs/dbraw/zinc/48/72/13/656487213.db2.gz MJGXDWVXRKRRRT-ZETCQYMHSA-N 1 2 281.320 -1.978 20 0 CAADLO CC1(C)CN(C(=O)Cc2ncn[nH]2)C[C@H]1[NH2+]CC(N)=O ZINC000996504460 656491013 /nfs/dbraw/zinc/49/10/13/656491013.db2.gz CZJKFKSIXXATII-MRVPVSSYSA-N 1 2 280.332 -1.341 20 0 CAADLO CC(=O)N1CC[C@@](C)(C(=O)N[C@@H]2CC[N@H+](CC(N)=O)C2)C1 ZINC001015963892 656492526 /nfs/dbraw/zinc/49/25/26/656492526.db2.gz PXXMIKZLECOTBB-BXUZGUMPSA-N 1 2 296.371 -1.079 20 0 CAADLO CC(=O)N1CC[C@@](C)(C(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C2)C1 ZINC001015963892 656492531 /nfs/dbraw/zinc/49/25/31/656492531.db2.gz PXXMIKZLECOTBB-BXUZGUMPSA-N 1 2 296.371 -1.079 20 0 CAADLO CC[C@H](C(N)=O)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC(=O)N1 ZINC001032316096 656493281 /nfs/dbraw/zinc/49/32/81/656493281.db2.gz HKRGTJXGYFUMEO-UKKRHICBSA-N 1 2 294.355 -1.186 20 0 CAADLO CC[C@H](C(N)=O)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC(=O)N1 ZINC001032316096 656493286 /nfs/dbraw/zinc/49/32/86/656493286.db2.gz HKRGTJXGYFUMEO-UKKRHICBSA-N 1 2 294.355 -1.186 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC(=O)N1 ZINC001032316078 656493296 /nfs/dbraw/zinc/49/32/96/656493296.db2.gz GVSODDJGMJRRPH-XWLWVQCSSA-N 1 2 294.355 -1.315 20 0 CAADLO CNC(=O)[C@H](C)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC(=O)N1 ZINC001032316078 656493303 /nfs/dbraw/zinc/49/33/03/656493303.db2.gz GVSODDJGMJRRPH-XWLWVQCSSA-N 1 2 294.355 -1.315 20 0 CAADLO NC(=O)CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@@H]1CCCNC1=O ZINC001032323468 656494460 /nfs/dbraw/zinc/49/44/60/656494460.db2.gz FDFIKSITEXAFPV-LPEHRKFASA-N 1 2 280.328 -1.575 20 0 CAADLO NC(=O)CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2[C@@H]1CCCNC1=O ZINC001032323468 656494463 /nfs/dbraw/zinc/49/44/63/656494463.db2.gz FDFIKSITEXAFPV-LPEHRKFASA-N 1 2 280.328 -1.575 20 0 CAADLO NC(=O)CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@H]1CCC(=O)NC1=O ZINC001032323839 656494619 /nfs/dbraw/zinc/49/46/19/656494619.db2.gz PBQODKWZTHAKAC-CIUDSAMLSA-N 1 2 294.311 -2.048 20 0 CAADLO NC(=O)CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2[C@H]1CCC(=O)NC1=O ZINC001032323839 656494621 /nfs/dbraw/zinc/49/46/21/656494621.db2.gz PBQODKWZTHAKAC-CIUDSAMLSA-N 1 2 294.311 -2.048 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC(N)=O ZINC001032323593 656494658 /nfs/dbraw/zinc/49/46/58/656494658.db2.gz IGJLBJHEYCJZEB-CSMHCCOUSA-N 1 2 254.290 -1.979 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC(N)=O ZINC001032323593 656494659 /nfs/dbraw/zinc/49/46/59/656494659.db2.gz IGJLBJHEYCJZEB-CSMHCCOUSA-N 1 2 254.290 -1.979 20 0 CAADLO C[C@H](C(=O)NC1CC1)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC(N)=O ZINC001032325288 656495517 /nfs/dbraw/zinc/49/55/17/656495517.db2.gz JIRNZQCKRDJJOW-MIMYLULJSA-N 1 2 294.355 -1.186 20 0 CAADLO C[C@H](C(=O)NC1CC1)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC(N)=O ZINC001032325288 656495521 /nfs/dbraw/zinc/49/55/21/656495521.db2.gz JIRNZQCKRDJJOW-MIMYLULJSA-N 1 2 294.355 -1.186 20 0 CAADLO C[C@@H](C(=O)N(C)C)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC(N)=O ZINC001032324521 656495694 /nfs/dbraw/zinc/49/56/94/656495694.db2.gz LAXUSMMPAGKVID-GUBZILKMSA-N 1 2 282.344 -1.376 20 0 CAADLO C[C@@H](C(=O)N(C)C)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC(N)=O ZINC001032324521 656495699 /nfs/dbraw/zinc/49/56/99/656495699.db2.gz LAXUSMMPAGKVID-GUBZILKMSA-N 1 2 282.344 -1.376 20 0 CAADLO C[C@@H](C(=O)NC1CC1)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC(N)=O ZINC001032325287 656496203 /nfs/dbraw/zinc/49/62/03/656496203.db2.gz JIRNZQCKRDJJOW-LSJOCFKGSA-N 1 2 294.355 -1.186 20 0 CAADLO C[C@@H](C(=O)NC1CC1)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC(N)=O ZINC001032325287 656496206 /nfs/dbraw/zinc/49/62/06/656496206.db2.gz JIRNZQCKRDJJOW-LSJOCFKGSA-N 1 2 294.355 -1.186 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC(N)=O ZINC001032324772 656496274 /nfs/dbraw/zinc/49/62/74/656496274.db2.gz VOUTUBSFRMEAON-CIUDSAMLSA-N 1 2 268.317 -1.719 20 0 CAADLO CNC(=O)[C@H](C)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC(N)=O ZINC001032324772 656496276 /nfs/dbraw/zinc/49/62/76/656496276.db2.gz VOUTUBSFRMEAON-CIUDSAMLSA-N 1 2 268.317 -1.719 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1ncnn1 ZINC001032406544 656501456 /nfs/dbraw/zinc/50/14/56/656501456.db2.gz PGEZAGLZSKDOMR-GUBZILKMSA-N 1 2 293.331 -1.907 20 0 CAADLO CNC(=O)[C@H](C)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1ncnn1 ZINC001032406544 656501463 /nfs/dbraw/zinc/50/14/63/656501463.db2.gz PGEZAGLZSKDOMR-GUBZILKMSA-N 1 2 293.331 -1.907 20 0 CAADLO Cc1[nH+]c[nH]c1CC(=O)NC1CN(C(=O)C(N)=O)C1 ZINC000997236765 656502732 /nfs/dbraw/zinc/50/27/32/656502732.db2.gz DXYYZXNWRLRLRM-UHFFFAOYSA-N 1 2 265.273 -1.927 20 0 CAADLO CN1C(=O)CN(CC(=O)N[C@@H]2CC[N@H+](CC(N)=O)C2)C1=O ZINC001015985868 656504186 /nfs/dbraw/zinc/50/41/86/656504186.db2.gz BEWTVVMHNLNPSO-MRVPVSSYSA-N 1 2 297.315 -2.444 20 0 CAADLO CN1C(=O)CN(CC(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C2)C1=O ZINC001015985868 656504194 /nfs/dbraw/zinc/50/41/94/656504194.db2.gz BEWTVVMHNLNPSO-MRVPVSSYSA-N 1 2 297.315 -2.444 20 0 CAADLO CC[C@@H](C(N)=O)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1nccn1 ZINC001032425358 656505973 /nfs/dbraw/zinc/50/59/73/656505973.db2.gz NYAFOQBBDFBWSM-DCAQKATOSA-N 1 2 292.343 -1.173 20 0 CAADLO CC[C@@H](C(N)=O)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1nccn1 ZINC001032425358 656505978 /nfs/dbraw/zinc/50/59/78/656505978.db2.gz NYAFOQBBDFBWSM-DCAQKATOSA-N 1 2 292.343 -1.173 20 0 CAADLO CC[C@H](C(N)=O)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1nccn1 ZINC001032425359 656506717 /nfs/dbraw/zinc/50/67/17/656506717.db2.gz NYAFOQBBDFBWSM-GARJFASQSA-N 1 2 292.343 -1.173 20 0 CAADLO CC[C@H](C(N)=O)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1nccn1 ZINC001032425359 656506723 /nfs/dbraw/zinc/50/67/23/656506723.db2.gz NYAFOQBBDFBWSM-GARJFASQSA-N 1 2 292.343 -1.173 20 0 CAADLO O=C(Cn1cc[nH+]c1)N1CC(NC(=O)[C@@H]2CCNC2=O)C1 ZINC000997431748 656508165 /nfs/dbraw/zinc/50/81/65/656508165.db2.gz CXAQZIZTRKHRAW-SNVBAGLBSA-N 1 2 291.311 -1.654 20 0 CAADLO O=C(Cc1c[nH+]c[nH]1)N1CC(NC(=O)[C@@H]2CCNC2=O)C1 ZINC000997428084 656510786 /nfs/dbraw/zinc/51/07/86/656510786.db2.gz WCHAGAJQOSRRGW-SNVBAGLBSA-N 1 2 291.311 -1.585 20 0 CAADLO O=C(Cc1c[nH+]c[nH]1)N1CC(NC(=O)[C@H]2CCNC2=O)C1 ZINC000997428083 656510825 /nfs/dbraw/zinc/51/08/25/656510825.db2.gz WCHAGAJQOSRRGW-JTQLQIEISA-N 1 2 291.311 -1.585 20 0 CAADLO O=C(c1cn[nH]n1)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@@H]1CCNC1=O ZINC001032493216 656513170 /nfs/dbraw/zinc/51/31/70/656513170.db2.gz APQHNABWHAIAOT-OYNCUSHFSA-N 1 2 276.300 -1.408 20 0 CAADLO O=C(c1cn[nH]n1)N1C[C@@H]2C[C@H]1C[N@H+]2[C@@H]1CCNC1=O ZINC001032493216 656513175 /nfs/dbraw/zinc/51/31/75/656513175.db2.gz APQHNABWHAIAOT-OYNCUSHFSA-N 1 2 276.300 -1.408 20 0 CAADLO Cn1nnc(C(=O)NC2CN(C(=O)Cc3c[nH+]c[nH]3)C2)n1 ZINC000997876000 656521401 /nfs/dbraw/zinc/52/14/01/656521401.db2.gz NWBGCWWXVBUDQB-UHFFFAOYSA-N 1 2 290.287 -1.884 20 0 CAADLO NC(=O)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCN1CCCC1=O ZINC001032598671 656525307 /nfs/dbraw/zinc/52/53/07/656525307.db2.gz ROPGGUUUHWANPK-UWVGGRQHSA-N 1 2 280.328 -1.621 20 0 CAADLO NC(=O)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCN1CCCC1=O ZINC001032598671 656525314 /nfs/dbraw/zinc/52/53/14/656525314.db2.gz ROPGGUUUHWANPK-UWVGGRQHSA-N 1 2 280.328 -1.621 20 0 CAADLO NC(=O)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCn1cccn1 ZINC001032598744 656527078 /nfs/dbraw/zinc/52/70/78/656527078.db2.gz UILRMPVRJOUTRN-UWVGGRQHSA-N 1 2 263.301 -1.347 20 0 CAADLO NC(=O)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCn1cccn1 ZINC001032598744 656527090 /nfs/dbraw/zinc/52/70/90/656527090.db2.gz UILRMPVRJOUTRN-UWVGGRQHSA-N 1 2 263.301 -1.347 20 0 CAADLO O=C(Cc1[nH]cc[nH+]1)NC1CN(C(=O)Cn2cncn2)C1 ZINC000998387368 656531350 /nfs/dbraw/zinc/53/13/50/656531350.db2.gz RNFUJZBSWHMTKH-UHFFFAOYSA-N 1 2 289.299 -1.429 20 0 CAADLO O=C(Cc1[nH]cc[nH+]1)NC1CN(C(=O)[C@@H]2CCNC2=O)C1 ZINC000998392801 656531980 /nfs/dbraw/zinc/53/19/80/656531980.db2.gz TYVOFDXWEOKZBO-SECBINFHSA-N 1 2 291.311 -1.585 20 0 CAADLO O=C(Cc1[nH]cc[nH+]1)NC1CN(C(=O)[C@H]2CCC(=O)N2)C1 ZINC000998385382 656532151 /nfs/dbraw/zinc/53/21/51/656532151.db2.gz XLKYBEQOIJWIEG-SECBINFHSA-N 1 2 291.311 -1.442 20 0 CAADLO NC(=O)C(=O)N1CC(NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000998382646 656532418 /nfs/dbraw/zinc/53/24/18/656532418.db2.gz LFXDCYJFNZWVRW-UHFFFAOYSA-N 1 2 251.246 -2.236 20 0 CAADLO NC(=O)CC(=O)N1CC(NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000998382903 656532818 /nfs/dbraw/zinc/53/28/18/656532818.db2.gz KMJZUUGECBSKLR-UHFFFAOYSA-N 1 2 265.273 -1.845 20 0 CAADLO O=C(Cc1[nH]cc[nH+]1)NC1CN(C(=O)[C@H]2CCNC2=O)C1 ZINC000998392803 656533100 /nfs/dbraw/zinc/53/31/00/656533100.db2.gz TYVOFDXWEOKZBO-VIFPVBQESA-N 1 2 291.311 -1.585 20 0 CAADLO Cn1nncc1C(=O)N1CC(NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000998383740 656533158 /nfs/dbraw/zinc/53/31/58/656533158.db2.gz OOVRACFRPTWILN-UHFFFAOYSA-N 1 2 289.299 -1.279 20 0 CAADLO O=C(Cc1[nH]cc[nH+]1)NC1CN(C(=O)Cc2nnc[nH]2)C1 ZINC000998390676 656533576 /nfs/dbraw/zinc/53/35/76/656533576.db2.gz ZFAGRAIXIBXOJC-UHFFFAOYSA-N 1 2 289.299 -1.360 20 0 CAADLO O=C(Cc1[nH]cc[nH+]1)N1CC(NC(=O)[C@H]2CNC(=O)N2)C1 ZINC000998668339 656536971 /nfs/dbraw/zinc/53/69/71/656536971.db2.gz DRAZLJQXZYSXTK-MRVPVSSYSA-N 1 2 292.299 -2.039 20 0 CAADLO CC(C)(C(=O)N1CC(NC(=O)C(N)=O)C1)c1c[nH+]c[nH]1 ZINC000998705787 656546193 /nfs/dbraw/zinc/54/61/93/656546193.db2.gz YSKWXCVFPJSUAA-UHFFFAOYSA-N 1 2 279.300 -1.500 20 0 CAADLO NC(=O)C(=O)NC1CN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC000998714282 656547857 /nfs/dbraw/zinc/54/78/57/656547857.db2.gz HTMGUAKVQYGOKW-QMMMGPOBSA-N 1 2 291.311 -1.742 20 0 CAADLO NC(=O)C(=O)NC1CN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC000998714189 656548858 /nfs/dbraw/zinc/54/88/58/656548858.db2.gz FXPUQJXTYNYAAR-MRVPVSSYSA-N 1 2 291.311 -1.358 20 0 CAADLO NC(=O)C(=O)NC1CN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000998714457 656549004 /nfs/dbraw/zinc/54/90/04/656549004.db2.gz IUFJKLXCNOYGGN-MRVPVSSYSA-N 1 2 291.311 -1.742 20 0 CAADLO NC(=O)C(=O)NC1CN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC000998715433 656549580 /nfs/dbraw/zinc/54/95/80/656549580.db2.gz QIVIUYOIIHLHCP-MRVPVSSYSA-N 1 2 291.311 -1.742 20 0 CAADLO NC(=O)C(=O)NC1CN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC000998715445 656550141 /nfs/dbraw/zinc/55/01/41/656550141.db2.gz QIVIUYOIIHLHCP-QMMMGPOBSA-N 1 2 291.311 -1.742 20 0 CAADLO NC(=O)C(=O)NC1CN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000998714558 656550641 /nfs/dbraw/zinc/55/06/41/656550641.db2.gz JROWKKYKKSLEPB-MRVPVSSYSA-N 1 2 291.311 -1.742 20 0 CAADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC(NC(=O)C(N)=O)C1 ZINC000998723896 656557371 /nfs/dbraw/zinc/55/73/71/656557371.db2.gz YBJQTFNOVBPXEH-ZETCQYMHSA-N 1 2 279.300 -1.599 20 0 CAADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC(NC(=O)C(N)=O)C1 ZINC000998723896 656557377 /nfs/dbraw/zinc/55/73/77/656557377.db2.gz YBJQTFNOVBPXEH-ZETCQYMHSA-N 1 2 279.300 -1.599 20 0 CAADLO NC(=O)C(=O)NC1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC000998725906 656559274 /nfs/dbraw/zinc/55/92/74/656559274.db2.gz RLXBESHUOFOKCZ-UHFFFAOYSA-N 1 2 287.279 -1.011 20 0 CAADLO CC(=O)N1CC[C@@H](C(=O)N[C@H]2CC[N@H+](CC(N)=O)C2)C1 ZINC001016120611 656560044 /nfs/dbraw/zinc/56/00/44/656560044.db2.gz RTMFSKULCJXRNK-MNOVXSKESA-N 1 2 282.344 -1.469 20 0 CAADLO CC(=O)N1CC[C@@H](C(=O)N[C@H]2CC[N@@H+](CC(N)=O)C2)C1 ZINC001016120611 656560047 /nfs/dbraw/zinc/56/00/47/656560047.db2.gz RTMFSKULCJXRNK-MNOVXSKESA-N 1 2 282.344 -1.469 20 0 CAADLO CC(=O)N1CC[C@H](C(=O)N[C@@H]2CC[N@H+](CC(N)=O)C2)C1 ZINC001016120626 656561325 /nfs/dbraw/zinc/56/13/25/656561325.db2.gz RTMFSKULCJXRNK-WDEREUQCSA-N 1 2 282.344 -1.469 20 0 CAADLO CC(=O)N1CC[C@H](C(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C2)C1 ZINC001016120626 656561330 /nfs/dbraw/zinc/56/13/30/656561330.db2.gz RTMFSKULCJXRNK-WDEREUQCSA-N 1 2 282.344 -1.469 20 0 CAADLO CN(C(=O)c1cn[nH]n1)C1CC([NH2+]Cc2nnn(C)n2)C1 ZINC000999041334 656567473 /nfs/dbraw/zinc/56/74/73/656567473.db2.gz FAZFFNAGXNPBBX-UHFFFAOYSA-N 1 2 291.319 -1.279 20 0 CAADLO NC(=O)CN1C[C@@H]2C[C@H]1CN2C(=O)Cc1c[nH+]c[nH]1 ZINC001032652660 656569168 /nfs/dbraw/zinc/56/91/68/656569168.db2.gz VVCWHAZEAVSTTD-UWVGGRQHSA-N 1 2 263.301 -1.277 20 0 CAADLO CNC(=O)CN1C[C@@H]2C[C@H]1CN2C(=O)Cc1c[nH+]c[nH]1 ZINC001032650763 656569539 /nfs/dbraw/zinc/56/95/39/656569539.db2.gz RPECWGSEIKEFDE-QWRGUYRKSA-N 1 2 277.328 -1.017 20 0 CAADLO O=C(c1nc[nH]n1)N1C[C@@H]2C[C@H]1C[N@@H+]2CCn1cncn1 ZINC001032689406 656570947 /nfs/dbraw/zinc/57/09/47/656570947.db2.gz GCZRARZXIPNSMZ-UWVGGRQHSA-N 1 2 288.315 -1.005 20 0 CAADLO O=C(c1nc[nH]n1)N1C[C@@H]2C[C@H]1C[N@H+]2CCn1cncn1 ZINC001032689406 656570958 /nfs/dbraw/zinc/57/09/58/656570958.db2.gz GCZRARZXIPNSMZ-UWVGGRQHSA-N 1 2 288.315 -1.005 20 0 CAADLO Cn1ncc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3[C@@H]2CCNC2=O)n1 ZINC001032682353 656571044 /nfs/dbraw/zinc/57/10/44/656571044.db2.gz GTFDIEGVCYLCLK-ATZCPNFKSA-N 1 2 290.327 -1.398 20 0 CAADLO Cn1ncc(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3[C@@H]2CCNC2=O)n1 ZINC001032682353 656571051 /nfs/dbraw/zinc/57/10/51/656571051.db2.gz GTFDIEGVCYLCLK-ATZCPNFKSA-N 1 2 290.327 -1.398 20 0 CAADLO CN1CC[C@@H]([N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2nc[nH]n2)C1=O ZINC001032689639 656571412 /nfs/dbraw/zinc/57/14/12/656571412.db2.gz YKAGZEGOQUIQOZ-LPEHRKFASA-N 1 2 290.327 -1.066 20 0 CAADLO CN1CC[C@@H]([N@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2nc[nH]n2)C1=O ZINC001032689639 656571423 /nfs/dbraw/zinc/57/14/23/656571423.db2.gz YKAGZEGOQUIQOZ-LPEHRKFASA-N 1 2 290.327 -1.066 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCn1cnnn1 ZINC001032698945 656572579 /nfs/dbraw/zinc/57/25/79/656572579.db2.gz AZISRSWYRPERAV-GUBZILKMSA-N 1 2 293.331 -1.778 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCn1cnnn1 ZINC001032698945 656572583 /nfs/dbraw/zinc/57/25/83/656572583.db2.gz AZISRSWYRPERAV-GUBZILKMSA-N 1 2 293.331 -1.778 20 0 CAADLO O=C(c1nc[nH]n1)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@H]1CCNC1=O ZINC001032690374 656573580 /nfs/dbraw/zinc/57/35/80/656573580.db2.gz FGJMBPXFWIBJNG-CIUDSAMLSA-N 1 2 276.300 -1.408 20 0 CAADLO O=C(c1nc[nH]n1)N1C[C@@H]2C[C@H]1C[N@H+]2[C@H]1CCNC1=O ZINC001032690374 656573591 /nfs/dbraw/zinc/57/35/91/656573591.db2.gz FGJMBPXFWIBJNG-CIUDSAMLSA-N 1 2 276.300 -1.408 20 0 CAADLO CN(C(=O)Cc1ncn[nH]1)C1CC([NH2+][C@H]2CCNC2=O)C1 ZINC000999661726 656580923 /nfs/dbraw/zinc/58/09/23/656580923.db2.gz VZJNKDIQEKHARG-RTBKNWGFSA-N 1 2 292.343 -1.185 20 0 CAADLO NC(=O)C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1[nH]cc[nH+]1)C2 ZINC000999736555 656582365 /nfs/dbraw/zinc/58/23/65/656582365.db2.gz BOJIXVNHHBUIQJ-VGMNWLOBSA-N 1 2 291.311 -1.314 20 0 CAADLO NC(=O)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)Cn1cc[nH+]c1 ZINC000999886915 656584310 /nfs/dbraw/zinc/58/43/10/656584310.db2.gz LKKHWYNHVZYINH-UTLUCORTSA-N 1 2 291.311 -1.384 20 0 CAADLO NC(=O)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)Cc1[nH]cc[nH+]1 ZINC000999877858 656585628 /nfs/dbraw/zinc/58/56/28/656585628.db2.gz DRVLQMJRCYDQFL-VGMNWLOBSA-N 1 2 291.311 -1.314 20 0 CAADLO NC(=O)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)Cc1c[nH+]c[nH]1 ZINC000999882126 656585769 /nfs/dbraw/zinc/58/57/69/656585769.db2.gz HKOBOMMZSJXORI-UTLUCORTSA-N 1 2 291.311 -1.314 20 0 CAADLO NC(=O)[C@@H]1C[C@@H]1C(=O)NC1CN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000999915952 656588686 /nfs/dbraw/zinc/58/86/86/656588686.db2.gz DLBLGMBUCKRDOX-BDAKNGLRSA-N 1 2 291.311 -1.599 20 0 CAADLO NC(=O)[C@@H]1C[C@@H]1C(=O)NC1CN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000999931438 656589526 /nfs/dbraw/zinc/58/95/26/656589526.db2.gz RVYNIUPTLKNLLT-ZJUUUORDSA-N 1 2 291.311 -1.599 20 0 CAADLO NC(=O)C(=O)N1CCC[C@@H]([NH2+]Cc2cnon2)C1 ZINC001000053302 656591636 /nfs/dbraw/zinc/59/16/36/656591636.db2.gz RMSUKYZGVZNPTO-SSDOTTSWSA-N 1 2 253.262 -1.365 20 0 CAADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC1CN(C(=O)C(N)=O)C1 ZINC001000008435 656591743 /nfs/dbraw/zinc/59/17/43/656591743.db2.gz NLUUESDKRAUZKJ-RKDXNWHRSA-N 1 2 291.311 -1.664 20 0 CAADLO CC(C)n1nnnc1C[NH2+][C@H]1CCCN(C(=O)C(N)=O)C1 ZINC001000056006 656593749 /nfs/dbraw/zinc/59/37/49/656593749.db2.gz JIZAWQCZNHGLGD-VIFPVBQESA-N 1 2 295.347 -1.180 20 0 CAADLO Cc1nonc1C[NH2+][C@@H]1CCCN(C(=O)C(N)=O)C1 ZINC001000059720 656594220 /nfs/dbraw/zinc/59/42/20/656594220.db2.gz YGFVWIKACOMFMW-MRVPVSSYSA-N 1 2 267.289 -1.056 20 0 CAADLO NC(=O)C(=O)N1CCC[C@H]([NH2+]Cc2nnnn2C2CC2)C1 ZINC001000055556 656594807 /nfs/dbraw/zinc/59/48/07/656594807.db2.gz IGPUNAYTDRPJSJ-QMMMGPOBSA-N 1 2 293.331 -1.426 20 0 CAADLO Cc1noc(C[NH2+][C@@H]2CCCN(C(=O)C(N)=O)C2)n1 ZINC001000058713 656595285 /nfs/dbraw/zinc/59/52/85/656595285.db2.gz SYVWCCAKXJDQIU-MRVPVSSYSA-N 1 2 267.289 -1.056 20 0 CAADLO Cn1nnnc1C[NH2+][C@@H]1CCCN(C(=O)C(N)=O)C1 ZINC001000055836 656595560 /nfs/dbraw/zinc/59/55/60/656595560.db2.gz INSDZHYPOIDTCB-SSDOTTSWSA-N 1 2 267.293 -2.224 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1nnc[nH]1 ZINC001032724184 656596678 /nfs/dbraw/zinc/59/66/78/656596678.db2.gz KJFCKKUIORPNJY-GUBZILKMSA-N 1 2 292.343 -1.233 20 0 CAADLO CNC(=O)[C@H](C)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1nnc[nH]1 ZINC001032724184 656596685 /nfs/dbraw/zinc/59/66/85/656596685.db2.gz KJFCKKUIORPNJY-GUBZILKMSA-N 1 2 292.343 -1.233 20 0 CAADLO O=C(Cn1cncn1)NC1CN(C(=O)Cn2cc[nH+]c2)C1 ZINC001000119867 656597794 /nfs/dbraw/zinc/59/77/94/656597794.db2.gz CATVKQZFVDOXGK-UHFFFAOYSA-N 1 2 289.299 -1.498 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1nnc[nH]1 ZINC001032724185 656598335 /nfs/dbraw/zinc/59/83/35/656598335.db2.gz KJFCKKUIORPNJY-UTLUCORTSA-N 1 2 292.343 -1.233 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1nnc[nH]1 ZINC001032724185 656598343 /nfs/dbraw/zinc/59/83/43/656598343.db2.gz KJFCKKUIORPNJY-UTLUCORTSA-N 1 2 292.343 -1.233 20 0 CAADLO CCCn1nnnc1C[NH2+][C@H]1CCCN(C(=O)C(N)=O)C1 ZINC001000061759 656598396 /nfs/dbraw/zinc/59/83/96/656598396.db2.gz JVQDYQKTEKXVFD-VIFPVBQESA-N 1 2 295.347 -1.351 20 0 CAADLO O=C(Cn1cncn1)NC1CN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001000109670 656598429 /nfs/dbraw/zinc/59/84/29/656598429.db2.gz HISFYGUKDYSWOM-UHFFFAOYSA-N 1 2 289.299 -1.429 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC(=O)N1 ZINC001032740772 656600458 /nfs/dbraw/zinc/60/04/58/656600458.db2.gz GVSODDJGMJRRPH-RCWTZXSCSA-N 1 2 294.355 -1.315 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC(=O)N1 ZINC001032740772 656600463 /nfs/dbraw/zinc/60/04/63/656600463.db2.gz GVSODDJGMJRRPH-RCWTZXSCSA-N 1 2 294.355 -1.315 20 0 CAADLO O=C([C@@H]1CCCO1)N1CC[NH+](C[C@H](O)CO)CC1 ZINC000929238874 656603646 /nfs/dbraw/zinc/60/36/46/656603646.db2.gz STTWYSJZUSYNSJ-QWRGUYRKSA-N 1 2 258.318 -1.337 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cn2cncn2)C1 ZINC001016184117 656604840 /nfs/dbraw/zinc/60/48/40/656604840.db2.gz ILDRXQCWTRSIFO-SECBINFHSA-N 1 2 266.305 -1.785 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)Cn2cncn2)C1 ZINC001016184117 656604847 /nfs/dbraw/zinc/60/48/47/656604847.db2.gz ILDRXQCWTRSIFO-SECBINFHSA-N 1 2 266.305 -1.785 20 0 CAADLO CN1CC(=O)N(CC(=O)N[C@@H]2CC[N@H+](CC(N)=O)C2)C1=O ZINC001016200616 656605635 /nfs/dbraw/zinc/60/56/35/656605635.db2.gz WTTCQDJAIDCORM-MRVPVSSYSA-N 1 2 297.315 -2.444 20 0 CAADLO CN1CC(=O)N(CC(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C2)C1=O ZINC001016200616 656605637 /nfs/dbraw/zinc/60/56/37/656605637.db2.gz WTTCQDJAIDCORM-MRVPVSSYSA-N 1 2 297.315 -2.444 20 0 CAADLO Cn1cc(C(=O)N2CC(NC(=O)Cc3c[nH]c[nH+]3)C2)nn1 ZINC001000562263 656608785 /nfs/dbraw/zinc/60/87/85/656608785.db2.gz MICWMGPTZBXAML-UHFFFAOYSA-N 1 2 289.299 -1.279 20 0 CAADLO Cn1ncc(C(=O)N2CC(NC(=O)Cc3c[nH]c[nH+]3)C2)n1 ZINC001000560913 656609102 /nfs/dbraw/zinc/60/91/02/656609102.db2.gz DANRKBSCIYDATB-UHFFFAOYSA-N 1 2 289.299 -1.279 20 0 CAADLO O=C(Cc1c[nH]c[nH+]1)NC1CN(C(=O)[C@@H]2CCC(=O)N2)C1 ZINC001000563112 656609222 /nfs/dbraw/zinc/60/92/22/656609222.db2.gz RJHRQZDTDAFWQT-JTQLQIEISA-N 1 2 291.311 -1.442 20 0 CAADLO O=C(Cc1c[nH]c[nH+]1)NC1CN(C(=O)[C@H]2CCC(=O)N2)C1 ZINC001000559908 656609271 /nfs/dbraw/zinc/60/92/71/656609271.db2.gz RJHRQZDTDAFWQT-SNVBAGLBSA-N 1 2 291.311 -1.442 20 0 CAADLO O=C(Cc1c[nH]c[nH+]1)NC1CN(C(=O)[C@H]2COCCO2)C1 ZINC001000559777 656609354 /nfs/dbraw/zinc/60/93/54/656609354.db2.gz QFWDPQJBLSWJBT-LLVKDONJSA-N 1 2 294.311 -1.305 20 0 CAADLO NC(=O)[C@@H]1C[C@@H]1C(=O)N1CC(NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001000576413 656609620 /nfs/dbraw/zinc/60/96/20/656609620.db2.gz CQICTUORTOCMRD-ZJUUUORDSA-N 1 2 291.311 -1.599 20 0 CAADLO O=C(Cc1ncn[nH]1)N1CCC[C@@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001000645375 656611985 /nfs/dbraw/zinc/61/19/85/656611985.db2.gz QQFMPCPZBDLCCK-ZJUUUORDSA-N 1 2 292.343 -1.184 20 0 CAADLO O=C(Cc1ncn[nH]1)N1CCC[C@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001000645372 656612017 /nfs/dbraw/zinc/61/20/17/656612017.db2.gz QQFMPCPZBDLCCK-UWVGGRQHSA-N 1 2 292.343 -1.184 20 0 CAADLO NC(=O)C[NH+]1CCC(CNC(=O)c2ncn[nH]2)CC1 ZINC001001953053 656627225 /nfs/dbraw/zinc/62/72/25/656627225.db2.gz QQNDGVKTJZKTOP-UHFFFAOYSA-N 1 2 266.305 -1.268 20 0 CAADLO NC(=O)C[NH+]1CCC(CNC(=O)c2nc[nH]n2)CC1 ZINC001001953053 656627232 /nfs/dbraw/zinc/62/72/32/656627232.db2.gz QQNDGVKTJZKTOP-UHFFFAOYSA-N 1 2 266.305 -1.268 20 0 CAADLO CC(=O)N1CCOC[C@@H]1C(=O)N[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001016295844 656628506 /nfs/dbraw/zinc/62/85/06/656628506.db2.gz WWWLTWWRURUAJW-WDEREUQCSA-N 1 2 298.343 -2.091 20 0 CAADLO CC(=O)N1CCOC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001016295844 656628510 /nfs/dbraw/zinc/62/85/10/656628510.db2.gz WWWLTWWRURUAJW-WDEREUQCSA-N 1 2 298.343 -2.091 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)[C@]2(C)CCC(=O)N2)C1 ZINC001032830753 656634573 /nfs/dbraw/zinc/63/45/73/656634573.db2.gz UYESRGBWVVLVMM-RVBZMBCESA-N 1 2 282.344 -1.281 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)[C@]2(C)CCC(=O)N2)C1 ZINC001032830753 656634579 /nfs/dbraw/zinc/63/45/79/656634579.db2.gz UYESRGBWVVLVMM-RVBZMBCESA-N 1 2 282.344 -1.281 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001032831548 656635987 /nfs/dbraw/zinc/63/59/87/656635987.db2.gz SSKPMPCAUGCZOG-FXQIFTODSA-N 1 2 297.315 -2.351 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001032831548 656635993 /nfs/dbraw/zinc/63/59/93/656635993.db2.gz SSKPMPCAUGCZOG-FXQIFTODSA-N 1 2 297.315 -2.351 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001032832780 656640074 /nfs/dbraw/zinc/64/00/74/656640074.db2.gz ZVNPZRZDTPGASG-VGMNWLOBSA-N 1 2 268.317 -1.671 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001032832780 656640077 /nfs/dbraw/zinc/64/00/77/656640077.db2.gz ZVNPZRZDTPGASG-VGMNWLOBSA-N 1 2 268.317 -1.671 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001032832779 656640566 /nfs/dbraw/zinc/64/05/66/656640566.db2.gz ZVNPZRZDTPGASG-CIUDSAMLSA-N 1 2 268.317 -1.671 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001032832779 656640574 /nfs/dbraw/zinc/64/05/74/656640574.db2.gz ZVNPZRZDTPGASG-CIUDSAMLSA-N 1 2 268.317 -1.671 20 0 CAADLO C[C@@H](C(=O)N[C@H]1CC[N@@H+]([C@@H](C)C(N)=O)C1)N1CCOCC1 ZINC001032834023 656643510 /nfs/dbraw/zinc/64/35/10/656643510.db2.gz KYSGFYJLYOTHPN-SRVKXCTJSA-N 1 2 298.387 -1.229 20 0 CAADLO C[C@@H](C(=O)N[C@H]1CC[N@H+]([C@@H](C)C(N)=O)C1)N1CCOCC1 ZINC001032834023 656643522 /nfs/dbraw/zinc/64/35/22/656643522.db2.gz KYSGFYJLYOTHPN-SRVKXCTJSA-N 1 2 298.387 -1.229 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCC(=O)N2)C1 ZINC001032834360 656646412 /nfs/dbraw/zinc/64/64/12/656646412.db2.gz ZVNPZRZDTPGASG-DJLDLDEBSA-N 1 2 268.317 -1.671 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)[C@H]2CCC(=O)N2)C1 ZINC001032834360 656646422 /nfs/dbraw/zinc/64/64/22/656646422.db2.gz ZVNPZRZDTPGASG-DJLDLDEBSA-N 1 2 268.317 -1.671 20 0 CAADLO C[C@H](C(N)=O)[NH+]1CCC(NC(=O)c2cn[nH]n2)CC1 ZINC001003231809 656645808 /nfs/dbraw/zinc/64/58/08/656645808.db2.gz QOJOOGMMQPTWHR-SSDOTTSWSA-N 1 2 266.305 -1.127 20 0 CAADLO C[C@H](C(N)=O)[NH+]1CCC(NC(=O)c2cnn[nH]2)CC1 ZINC001003231809 656645814 /nfs/dbraw/zinc/64/58/14/656645814.db2.gz QOJOOGMMQPTWHR-SSDOTTSWSA-N 1 2 266.305 -1.127 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)[C@]2(C)CCC(=O)N2)C1 ZINC001032840454 656650037 /nfs/dbraw/zinc/65/00/37/656650037.db2.gz UYESRGBWVVLVMM-RWEMILLDSA-N 1 2 282.344 -1.281 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)[C@]2(C)CCC(=O)N2)C1 ZINC001032840454 656650044 /nfs/dbraw/zinc/65/00/44/656650044.db2.gz UYESRGBWVVLVMM-RWEMILLDSA-N 1 2 282.344 -1.281 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001032841894 656650780 /nfs/dbraw/zinc/65/07/80/656650780.db2.gz SSKPMPCAUGCZOG-RNJXMRFFSA-N 1 2 297.315 -2.351 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001032841894 656650784 /nfs/dbraw/zinc/65/07/84/656650784.db2.gz SSKPMPCAUGCZOG-RNJXMRFFSA-N 1 2 297.315 -2.351 20 0 CAADLO Cn1nnc(C(=O)NC2CC[NH+](CC(N)=O)CC2)n1 ZINC001003453464 656650847 /nfs/dbraw/zinc/65/08/47/656650847.db2.gz SFQUBTCFCDXYPG-UHFFFAOYSA-N 1 2 267.293 -2.110 20 0 CAADLO Cn1[nH]c(C[NH+]2CCC(NC(=O)C(N)=O)CC2)nc1=O ZINC001003535882 656653026 /nfs/dbraw/zinc/65/30/26/656653026.db2.gz ZIGGNQKSWICVLW-UHFFFAOYSA-N 1 2 282.304 -2.326 20 0 CAADLO C[C@H](c1nncn1C)[NH+]1CCC(NC(=O)C(N)=O)CC1 ZINC001003540036 656655961 /nfs/dbraw/zinc/65/59/61/656655961.db2.gz QFASAHVZBCFKCG-MRVPVSSYSA-N 1 2 280.332 -1.058 20 0 CAADLO CCn1cc(C[NH+]2CCC(NC(=O)C(N)=O)CC2)nn1 ZINC001003539894 656656722 /nfs/dbraw/zinc/65/67/22/656656722.db2.gz NSKHDPGFFBYLRB-UHFFFAOYSA-N 1 2 280.332 -1.136 20 0 CAADLO C[C@@H](C(=O)N[C@@H]1CC[N@@H+]([C@@H](C)C(N)=O)C1)N1CCOCC1 ZINC001032844416 656663278 /nfs/dbraw/zinc/66/32/78/656663278.db2.gz KYSGFYJLYOTHPN-SDDRHHMPSA-N 1 2 298.387 -1.229 20 0 CAADLO C[C@@H](C(=O)N[C@@H]1CC[N@H+]([C@@H](C)C(N)=O)C1)N1CCOCC1 ZINC001032844416 656663285 /nfs/dbraw/zinc/66/32/85/656663285.db2.gz KYSGFYJLYOTHPN-SDDRHHMPSA-N 1 2 298.387 -1.229 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCN2C(N)=O)C1 ZINC001032844286 656663821 /nfs/dbraw/zinc/66/38/21/656663821.db2.gz BSNWMNKXCRZMFB-BBBLOLIVSA-N 1 2 297.359 -1.406 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCN2C(N)=O)C1 ZINC001032844286 656663829 /nfs/dbraw/zinc/66/38/29/656663829.db2.gz BSNWMNKXCRZMFB-BBBLOLIVSA-N 1 2 297.359 -1.406 20 0 CAADLO CN(C(=O)C1=COCCO1)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001032881163 656665629 /nfs/dbraw/zinc/66/56/29/656665629.db2.gz TXGXCFYWWVFUOS-VIFPVBQESA-N 1 2 269.301 -1.107 20 0 CAADLO CN(C(=O)C1=COCCO1)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001032881163 656665635 /nfs/dbraw/zinc/66/56/35/656665635.db2.gz TXGXCFYWWVFUOS-VIFPVBQESA-N 1 2 269.301 -1.107 20 0 CAADLO CN(C(=O)c1ccc(=O)[nH]n1)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001032892835 656665694 /nfs/dbraw/zinc/66/56/94/656665694.db2.gz WMKRKMKBHHGSBR-QMMMGPOBSA-N 1 2 279.300 -1.186 20 0 CAADLO CN(C(=O)c1ccc(=O)[nH]n1)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001032892835 656665710 /nfs/dbraw/zinc/66/57/10/656665710.db2.gz WMKRKMKBHHGSBR-QMMMGPOBSA-N 1 2 279.300 -1.186 20 0 CAADLO CN(C(=O)c1cc[n+]([O-])cc1)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001032892436 656666371 /nfs/dbraw/zinc/66/63/71/656666371.db2.gz VYEKKEQXAQFENR-NSHDSACASA-N 1 2 278.312 -1.048 20 0 CAADLO CN(C(=O)c1cc[n+]([O-])cc1)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001032892436 656666379 /nfs/dbraw/zinc/66/63/79/656666379.db2.gz VYEKKEQXAQFENR-NSHDSACASA-N 1 2 278.312 -1.048 20 0 CAADLO O=C(NC1CC[NH+]([C@H]2CCNC2=O)CC1)c1nnc[nH]1 ZINC001003813586 656666647 /nfs/dbraw/zinc/66/66/47/656666647.db2.gz JDBXNZITMGUNSM-VIFPVBQESA-N 1 2 278.316 -1.113 20 0 CAADLO O=C(NC1CC[NH+]([C@H]2CCNC2=O)CC1)c1ncn[nH]1 ZINC001003813586 656666648 /nfs/dbraw/zinc/66/66/48/656666648.db2.gz JDBXNZITMGUNSM-VIFPVBQESA-N 1 2 278.316 -1.113 20 0 CAADLO CN(C(=O)Cc1cnn(C)c1)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001032945285 656666967 /nfs/dbraw/zinc/66/69/67/656666967.db2.gz DJYPANTVQSRZLO-NSHDSACASA-N 1 2 279.344 -1.019 20 0 CAADLO CN(C(=O)Cc1cnn(C)c1)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001032945285 656666977 /nfs/dbraw/zinc/66/69/77/656666977.db2.gz DJYPANTVQSRZLO-NSHDSACASA-N 1 2 279.344 -1.019 20 0 CAADLO O=C(Cc1nnc[nH]1)NC1CC[NH+]([C@@H]2CCNC2=O)CC1 ZINC001003930063 656667539 /nfs/dbraw/zinc/66/75/39/656667539.db2.gz HEHDCRVSAQNFGM-SNVBAGLBSA-N 1 2 292.343 -1.184 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)c2nccnc2N)C1 ZINC001032966232 656667666 /nfs/dbraw/zinc/66/76/66/656667666.db2.gz QZVAVOHGFABUAW-VIFPVBQESA-N 1 2 292.343 -1.049 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](N(C)C(=O)c2nccnc2N)C1 ZINC001032966232 656667673 /nfs/dbraw/zinc/66/76/73/656667673.db2.gz QZVAVOHGFABUAW-VIFPVBQESA-N 1 2 292.343 -1.049 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2COCCO2)C1 ZINC001032925656 656667869 /nfs/dbraw/zinc/66/78/69/656667869.db2.gz OROJYLCDMNIOPY-WDEREUQCSA-N 1 2 285.344 -1.320 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](N(C)C(=O)[C@H]2COCCO2)C1 ZINC001032925656 656667882 /nfs/dbraw/zinc/66/78/82/656667882.db2.gz OROJYLCDMNIOPY-WDEREUQCSA-N 1 2 285.344 -1.320 20 0 CAADLO C[C@@H](C(N)=O)[NH+]1CCC(NC(=O)Cc2nnc[nH]2)CC1 ZINC001003930763 656668112 /nfs/dbraw/zinc/66/81/12/656668112.db2.gz RVSDGCQGEQNKNC-QMMMGPOBSA-N 1 2 280.332 -1.198 20 0 CAADLO CN(C(=O)[C@H]1COCCO1)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001032921682 656668946 /nfs/dbraw/zinc/66/89/46/656668946.db2.gz RBXCNBFNGUZPOJ-VHSXEESVSA-N 1 2 271.317 -1.580 20 0 CAADLO CN(C(=O)[C@H]1COCCO1)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001032921682 656668956 /nfs/dbraw/zinc/66/89/56/656668956.db2.gz RBXCNBFNGUZPOJ-VHSXEESVSA-N 1 2 271.317 -1.580 20 0 CAADLO CN(C(=O)[C@H]1COCCO1)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001032921675 656669085 /nfs/dbraw/zinc/66/90/85/656669085.db2.gz RBXCNBFNGUZPOJ-NXEZZACHSA-N 1 2 271.317 -1.580 20 0 CAADLO CN(C(=O)[C@H]1COCCO1)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001032921675 656669093 /nfs/dbraw/zinc/66/90/93/656669093.db2.gz RBXCNBFNGUZPOJ-NXEZZACHSA-N 1 2 271.317 -1.580 20 0 CAADLO CN(C(=O)[C@H]1CCNC(=O)C1)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001032994886 656669777 /nfs/dbraw/zinc/66/97/77/656669777.db2.gz XFECBHMSAKDTDO-UWVGGRQHSA-N 1 2 282.344 -1.469 20 0 CAADLO CN(C(=O)[C@H]1CCNC(=O)C1)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001032994886 656669779 /nfs/dbraw/zinc/66/97/79/656669779.db2.gz XFECBHMSAKDTDO-UWVGGRQHSA-N 1 2 282.344 -1.469 20 0 CAADLO CN(C(=O)Cc1cc[nH]n1)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001032982444 656670684 /nfs/dbraw/zinc/67/06/84/656670684.db2.gz SVGJCTZLNBUUSW-SNVBAGLBSA-N 1 2 265.317 -1.030 20 0 CAADLO CN(C(=O)Cc1cc[nH]n1)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001032982444 656670690 /nfs/dbraw/zinc/67/06/90/656670690.db2.gz SVGJCTZLNBUUSW-SNVBAGLBSA-N 1 2 265.317 -1.030 20 0 CAADLO CN(C(=O)[C@H]1C[N@H+](C)CCO1)[C@H]1CCN(CC(N)=O)C1 ZINC001032978091 656670882 /nfs/dbraw/zinc/67/08/82/656670882.db2.gz XBXFXSPGHYKPGI-WDEREUQCSA-N 1 2 284.360 -1.665 20 0 CAADLO CN(C(=O)[C@H]1C[N@@H+](C)CCO1)[C@H]1CCN(CC(N)=O)C1 ZINC001032978091 656670899 /nfs/dbraw/zinc/67/08/99/656670899.db2.gz XBXFXSPGHYKPGI-WDEREUQCSA-N 1 2 284.360 -1.665 20 0 CAADLO CN(C(=O)[C@@H]1CCNC(=O)C1)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001032994883 656671378 /nfs/dbraw/zinc/67/13/78/656671378.db2.gz XFECBHMSAKDTDO-NXEZZACHSA-N 1 2 282.344 -1.469 20 0 CAADLO CN(C(=O)[C@@H]1CCNC(=O)C1)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001032994883 656671393 /nfs/dbraw/zinc/67/13/93/656671393.db2.gz XFECBHMSAKDTDO-NXEZZACHSA-N 1 2 282.344 -1.469 20 0 CAADLO C[C@@H](C(=O)N(C)[C@@H]1CC[N@H+](CC(N)=O)C1)n1cncn1 ZINC001033022063 656672460 /nfs/dbraw/zinc/67/24/60/656672460.db2.gz QLYYNEOHVSAKEV-VHSXEESVSA-N 1 2 280.332 -1.143 20 0 CAADLO C[C@@H](C(=O)N(C)[C@@H]1CC[N@@H+](CC(N)=O)C1)n1cncn1 ZINC001033022063 656672464 /nfs/dbraw/zinc/67/24/64/656672464.db2.gz QLYYNEOHVSAKEV-VHSXEESVSA-N 1 2 280.332 -1.143 20 0 CAADLO CN(C(=O)[C@H]1COCCN1C)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001033020956 656672866 /nfs/dbraw/zinc/67/28/66/656672866.db2.gz NBPIENSJESKZCF-WDEREUQCSA-N 1 2 284.360 -1.665 20 0 CAADLO CN(C(=O)[C@H]1COCCN1C)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033020956 656672868 /nfs/dbraw/zinc/67/28/68/656672868.db2.gz NBPIENSJESKZCF-WDEREUQCSA-N 1 2 284.360 -1.665 20 0 CAADLO C[C@@H](C(=O)N(C)[C@H]1CC[N@H+](CC(N)=O)C1)n1cncn1 ZINC001033021872 656673518 /nfs/dbraw/zinc/67/35/18/656673518.db2.gz QLYYNEOHVSAKEV-UWVGGRQHSA-N 1 2 280.332 -1.143 20 0 CAADLO C[C@@H](C(=O)N(C)[C@H]1CC[N@@H+](CC(N)=O)C1)n1cncn1 ZINC001033021872 656673523 /nfs/dbraw/zinc/67/35/23/656673523.db2.gz QLYYNEOHVSAKEV-UWVGGRQHSA-N 1 2 280.332 -1.143 20 0 CAADLO CN(C(=O)[C@H]1COCCN1C)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033020949 656674429 /nfs/dbraw/zinc/67/44/29/656674429.db2.gz NBPIENSJESKZCF-GHMZBOCLSA-N 1 2 284.360 -1.665 20 0 CAADLO CN(C(=O)[C@H]1COCCN1C)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001033020949 656674422 /nfs/dbraw/zinc/67/44/22/656674422.db2.gz NBPIENSJESKZCF-GHMZBOCLSA-N 1 2 284.360 -1.665 20 0 CAADLO CN(C(=O)[C@@H]1COC(=O)N1)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001033047991 656675659 /nfs/dbraw/zinc/67/56/59/656675659.db2.gz RZJPFKYJWLCODI-SFYZADRCSA-N 1 2 270.289 -1.887 20 0 CAADLO CN(C(=O)[C@@H]1COC(=O)N1)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033047991 656675670 /nfs/dbraw/zinc/67/56/70/656675670.db2.gz RZJPFKYJWLCODI-SFYZADRCSA-N 1 2 270.289 -1.887 20 0 CAADLO CN(C(=O)c1cnnn1C)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001033059524 656677798 /nfs/dbraw/zinc/67/77/98/656677798.db2.gz YXKQKZLRZWZYKT-QMMMGPOBSA-N 1 2 266.305 -1.553 20 0 CAADLO CN(C(=O)c1cnnn1C)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033059524 656677809 /nfs/dbraw/zinc/67/78/09/656677809.db2.gz YXKQKZLRZWZYKT-QMMMGPOBSA-N 1 2 266.305 -1.553 20 0 CAADLO CCn1ncc(C(=O)N(C)[C@H]2CC[N@H+](CC(N)=O)C2)n1 ZINC001033061199 656678265 /nfs/dbraw/zinc/67/82/65/656678265.db2.gz GUTASBXTULSQSY-VIFPVBQESA-N 1 2 280.332 -1.070 20 0 CAADLO CCn1ncc(C(=O)N(C)[C@H]2CC[N@@H+](CC(N)=O)C2)n1 ZINC001033061199 656678280 /nfs/dbraw/zinc/67/82/80/656678280.db2.gz GUTASBXTULSQSY-VIFPVBQESA-N 1 2 280.332 -1.070 20 0 CAADLO Cn1c[nH+]cc1CNC(=O)NC[C@@]1(CO)COCCN1C ZINC000922514458 656678523 /nfs/dbraw/zinc/67/85/23/656678523.db2.gz IEZGXESMZJMNRS-CYBMUJFWSA-N 1 2 297.359 -1.088 20 0 CAADLO CN(C(=O)c1ncn(C)n1)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001033061961 656679306 /nfs/dbraw/zinc/67/93/06/656679306.db2.gz WNOHVXQVLMXAEX-QMMMGPOBSA-N 1 2 266.305 -1.553 20 0 CAADLO CN(C(=O)c1ncn(C)n1)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033061961 656679313 /nfs/dbraw/zinc/67/93/13/656679313.db2.gz WNOHVXQVLMXAEX-QMMMGPOBSA-N 1 2 266.305 -1.553 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CC[C@@H](N(C)C(=O)c2ncn(C)n2)C1 ZINC001033063224 656679506 /nfs/dbraw/zinc/67/95/06/656679506.db2.gz VWSODUVOJOENKS-DTWKUNHWSA-N 1 2 280.332 -1.165 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CC[C@@H](N(C)C(=O)c2ncn(C)n2)C1 ZINC001033063224 656679511 /nfs/dbraw/zinc/67/95/11/656679511.db2.gz VWSODUVOJOENKS-DTWKUNHWSA-N 1 2 280.332 -1.165 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)c2ncn(C)n2)C1 ZINC001033062528 656679673 /nfs/dbraw/zinc/67/96/73/656679673.db2.gz GUOHGMKOXOAWDP-SECBINFHSA-N 1 2 280.332 -1.293 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)c2ncn(C)n2)C1 ZINC001033062528 656679682 /nfs/dbraw/zinc/67/96/82/656679682.db2.gz GUOHGMKOXOAWDP-SECBINFHSA-N 1 2 280.332 -1.293 20 0 CAADLO NC(=O)C(=O)NC1CCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC000946590157 656684668 /nfs/dbraw/zinc/68/46/68/656684668.db2.gz VRCTYSJIICQYJN-UHFFFAOYSA-N 1 2 293.327 -1.065 20 0 CAADLO CCN1C[C@H](C(=O)N(C)[C@@H]2CC[N@H+](CC(N)=O)C2)CC1=O ZINC001033122838 656688124 /nfs/dbraw/zinc/68/81/24/656688124.db2.gz HNWCKCZYAWAMKR-GHMZBOCLSA-N 1 2 296.371 -1.127 20 0 CAADLO CCN1C[C@H](C(=O)N(C)[C@@H]2CC[N@@H+](CC(N)=O)C2)CC1=O ZINC001033122838 656688128 /nfs/dbraw/zinc/68/81/28/656688128.db2.gz HNWCKCZYAWAMKR-GHMZBOCLSA-N 1 2 296.371 -1.127 20 0 CAADLO CN(C(=O)c1cc2n(n1)CCO2)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001033145670 656689358 /nfs/dbraw/zinc/68/93/58/656689358.db2.gz NUODMQHZHSVXPW-VIFPVBQESA-N 1 2 293.327 -1.093 20 0 CAADLO CN(C(=O)c1cc2n(n1)CCO2)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033145670 656689363 /nfs/dbraw/zinc/68/93/63/656689363.db2.gz NUODMQHZHSVXPW-VIFPVBQESA-N 1 2 293.327 -1.093 20 0 CAADLO CN(C(=O)c1cc(=O)n(C)cn1)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001033161593 656689885 /nfs/dbraw/zinc/68/98/85/656689885.db2.gz NORIILQQDLHERB-VIFPVBQESA-N 1 2 293.327 -1.588 20 0 CAADLO CN(C(=O)c1cc(=O)n(C)cn1)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033161593 656689900 /nfs/dbraw/zinc/68/99/00/656689900.db2.gz NORIILQQDLHERB-VIFPVBQESA-N 1 2 293.327 -1.588 20 0 CAADLO C[C@@H]1OCCO[C@@H]1C(=O)N(C)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001033157701 656690369 /nfs/dbraw/zinc/69/03/69/656690369.db2.gz CNHHRDZZWVFJAC-NHCYSSNCSA-N 1 2 285.344 -1.192 20 0 CAADLO C[C@@H]1OCCO[C@@H]1C(=O)N(C)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033157701 656690372 /nfs/dbraw/zinc/69/03/72/656690372.db2.gz CNHHRDZZWVFJAC-NHCYSSNCSA-N 1 2 285.344 -1.192 20 0 CAADLO CN(C(=O)[C@]1(C)CCNC(=O)C1)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001033192754 656692067 /nfs/dbraw/zinc/69/20/67/656692067.db2.gz PYELBWBPFORPMK-IINYFYTJSA-N 1 2 296.371 -1.079 20 0 CAADLO CN(C(=O)[C@]1(C)CCNC(=O)C1)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033192754 656692075 /nfs/dbraw/zinc/69/20/75/656692075.db2.gz PYELBWBPFORPMK-IINYFYTJSA-N 1 2 296.371 -1.079 20 0 CAADLO CCN1CCOC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001033212311 656693290 /nfs/dbraw/zinc/69/32/90/656693290.db2.gz RBHHWUYWWKNTCR-RYUDHWBXSA-N 1 2 298.387 -1.275 20 0 CAADLO CCN1CCOC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033212311 656693304 /nfs/dbraw/zinc/69/33/04/656693304.db2.gz RBHHWUYWWKNTCR-RYUDHWBXSA-N 1 2 298.387 -1.275 20 0 CAADLO CN(C(=O)[C@@H]1CCC(=O)NC1)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001033220775 656693561 /nfs/dbraw/zinc/69/35/61/656693561.db2.gz IRZKSGNOHOTSTG-ZJUUUORDSA-N 1 2 282.344 -1.469 20 0 CAADLO CN(C(=O)[C@@H]1CCC(=O)NC1)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033220775 656693571 /nfs/dbraw/zinc/69/35/71/656693571.db2.gz IRZKSGNOHOTSTG-ZJUUUORDSA-N 1 2 282.344 -1.469 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CC[C@@H](N(C)C(=O)c2cn[nH]n2)C1 ZINC001033216047 656693729 /nfs/dbraw/zinc/69/37/29/656693729.db2.gz HMEZCUIZLIFJLZ-HTQZYQBOSA-N 1 2 266.305 -1.175 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CC[C@@H](N(C)C(=O)c2cn[nH]n2)C1 ZINC001033216047 656693756 /nfs/dbraw/zinc/69/37/56/656693756.db2.gz HMEZCUIZLIFJLZ-HTQZYQBOSA-N 1 2 266.305 -1.175 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CC[C@H](N(C)C(=O)c2cn[nH]n2)C1 ZINC001033216049 656694501 /nfs/dbraw/zinc/69/45/01/656694501.db2.gz HMEZCUIZLIFJLZ-SFYZADRCSA-N 1 2 266.305 -1.175 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CC[C@H](N(C)C(=O)c2cn[nH]n2)C1 ZINC001033216049 656694506 /nfs/dbraw/zinc/69/45/06/656694506.db2.gz HMEZCUIZLIFJLZ-SFYZADRCSA-N 1 2 266.305 -1.175 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)c2cn[nH]n2)C1 ZINC001033216885 656695271 /nfs/dbraw/zinc/69/52/71/656695271.db2.gz KXGJOYUUXYTPOD-QMMMGPOBSA-N 1 2 266.305 -1.303 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](N(C)C(=O)c2cn[nH]n2)C1 ZINC001033216885 656695294 /nfs/dbraw/zinc/69/52/94/656695294.db2.gz KXGJOYUUXYTPOD-QMMMGPOBSA-N 1 2 266.305 -1.303 20 0 CAADLO CN(C(=O)CN1CCCNC1=O)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001033228852 656695515 /nfs/dbraw/zinc/69/55/15/656695515.db2.gz OIVNQICVSNSPAM-JTQLQIEISA-N 1 2 297.359 -1.580 20 0 CAADLO CN(C(=O)CN1CCCNC1=O)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033228852 656695547 /nfs/dbraw/zinc/69/55/47/656695547.db2.gz OIVNQICVSNSPAM-JTQLQIEISA-N 1 2 297.359 -1.580 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)c2cn[nH]n2)C1 ZINC001033216884 656696581 /nfs/dbraw/zinc/69/65/81/656696581.db2.gz KXGJOYUUXYTPOD-MRVPVSSYSA-N 1 2 266.305 -1.303 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)c2cn[nH]n2)C1 ZINC001033216884 656696605 /nfs/dbraw/zinc/69/66/05/656696605.db2.gz KXGJOYUUXYTPOD-MRVPVSSYSA-N 1 2 266.305 -1.303 20 0 CAADLO C[C@H]1CCN(C(=O)C(N)=O)C[C@@H]1NC(=O)Cn1cc[nH+]c1 ZINC001004989554 656696725 /nfs/dbraw/zinc/69/67/25/656696725.db2.gz JHDMEQAAKZWWHV-UWVGGRQHSA-N 1 2 293.327 -1.278 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CC[C@@H](N(C)C(=O)c2cn[nH]n2)C1 ZINC001033216048 656697776 /nfs/dbraw/zinc/69/77/76/656697776.db2.gz HMEZCUIZLIFJLZ-JGVFFNPUSA-N 1 2 266.305 -1.175 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CC[C@@H](N(C)C(=O)c2cn[nH]n2)C1 ZINC001033216048 656697780 /nfs/dbraw/zinc/69/77/80/656697780.db2.gz HMEZCUIZLIFJLZ-JGVFFNPUSA-N 1 2 266.305 -1.175 20 0 CAADLO CN(C(=O)[C@H]1CCS(=O)(=O)C1)[C@@H]1CC[N@H+](CCO)C1 ZINC001033245791 656699991 /nfs/dbraw/zinc/69/99/91/656699991.db2.gz BMZZWKMGLKQDIE-WDEREUQCSA-N 1 2 290.385 -1.054 20 0 CAADLO CN(C(=O)[C@H]1CCS(=O)(=O)C1)[C@@H]1CC[N@@H+](CCO)C1 ZINC001033245791 656700009 /nfs/dbraw/zinc/70/00/09/656700009.db2.gz BMZZWKMGLKQDIE-WDEREUQCSA-N 1 2 290.385 -1.054 20 0 CAADLO CN(C(=O)[C@H]1CCS(=O)(=O)C1)[C@H]1CC[N@H+](CCO)C1 ZINC001033245788 656700068 /nfs/dbraw/zinc/70/00/68/656700068.db2.gz BMZZWKMGLKQDIE-QWRGUYRKSA-N 1 2 290.385 -1.054 20 0 CAADLO CN(C(=O)[C@H]1CCS(=O)(=O)C1)[C@H]1CC[N@@H+](CCO)C1 ZINC001033245788 656700077 /nfs/dbraw/zinc/70/00/77/656700077.db2.gz BMZZWKMGLKQDIE-QWRGUYRKSA-N 1 2 290.385 -1.054 20 0 CAADLO CN(C(=O)[C@]1(C)CNC(=O)C1)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001033290071 656702167 /nfs/dbraw/zinc/70/21/67/656702167.db2.gz NGOJQITUUSWLTN-RNCFNFMXSA-N 1 2 282.344 -1.469 20 0 CAADLO CN(C(=O)[C@]1(C)CNC(=O)C1)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033290071 656702178 /nfs/dbraw/zinc/70/21/78/656702178.db2.gz NGOJQITUUSWLTN-RNCFNFMXSA-N 1 2 282.344 -1.469 20 0 CAADLO CCn1cc(CC(=O)N(C)[C@H]2CC[N@H+](CC(N)=O)C2)nn1 ZINC001033286046 656702641 /nfs/dbraw/zinc/70/26/41/656702641.db2.gz AOXSIXYUQQOVFF-NSHDSACASA-N 1 2 294.359 -1.142 20 0 CAADLO CCn1cc(CC(=O)N(C)[C@H]2CC[N@@H+](CC(N)=O)C2)nn1 ZINC001033286046 656702647 /nfs/dbraw/zinc/70/26/47/656702647.db2.gz AOXSIXYUQQOVFF-NSHDSACASA-N 1 2 294.359 -1.142 20 0 CAADLO CN(C(=O)[C@@]1(C)CNC(=O)C1)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001033290070 656702812 /nfs/dbraw/zinc/70/28/12/656702812.db2.gz NGOJQITUUSWLTN-NOZJJQNGSA-N 1 2 282.344 -1.469 20 0 CAADLO CN(C(=O)[C@@]1(C)CNC(=O)C1)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033290070 656702822 /nfs/dbraw/zinc/70/28/22/656702822.db2.gz NGOJQITUUSWLTN-NOZJJQNGSA-N 1 2 282.344 -1.469 20 0 CAADLO CN(C(=O)c1c[nH]c(=O)n1C)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001033335007 656703389 /nfs/dbraw/zinc/70/33/89/656703389.db2.gz YTSPINPHDWAZEF-QMMMGPOBSA-N 1 2 281.316 -1.243 20 0 CAADLO CN(C(=O)c1c[nH]c(=O)n1C)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033335007 656703402 /nfs/dbraw/zinc/70/34/02/656703402.db2.gz YTSPINPHDWAZEF-QMMMGPOBSA-N 1 2 281.316 -1.243 20 0 CAADLO CN(C(=O)[C@@H]1CN(C)C(=O)N1)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001033328493 656703638 /nfs/dbraw/zinc/70/36/38/656703638.db2.gz OYBXKDFMEKYLGP-BDAKNGLRSA-N 1 2 283.332 -1.972 20 0 CAADLO CN(C(=O)[C@@H]1CN(C)C(=O)N1)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033328493 656703647 /nfs/dbraw/zinc/70/36/47/656703647.db2.gz OYBXKDFMEKYLGP-BDAKNGLRSA-N 1 2 283.332 -1.972 20 0 CAADLO CN(C(=O)[C@@H]1CCNC1=O)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001033323021 656704099 /nfs/dbraw/zinc/70/40/99/656704099.db2.gz ZCESLJSWHYZPPC-DTWKUNHWSA-N 1 2 268.317 -1.860 20 0 CAADLO CN(C(=O)[C@@H]1CCNC1=O)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033323021 656704103 /nfs/dbraw/zinc/70/41/03/656704103.db2.gz ZCESLJSWHYZPPC-DTWKUNHWSA-N 1 2 268.317 -1.860 20 0 CAADLO CN(C(=O)[C@H]1[C@@H]2COC[C@@H]21)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001033329704 656704118 /nfs/dbraw/zinc/70/41/18/656704118.db2.gz AIVIFGYZZNLDBL-SVDPJWKOSA-N 1 2 267.329 -1.103 20 0 CAADLO CN(C(=O)[C@H]1[C@@H]2COC[C@@H]21)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033329704 656704124 /nfs/dbraw/zinc/70/41/24/656704124.db2.gz AIVIFGYZZNLDBL-SVDPJWKOSA-N 1 2 267.329 -1.103 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CC[C@@H](N(C)C(=O)c2nnn(C)n2)C1 ZINC001033337863 656704217 /nfs/dbraw/zinc/70/42/17/656704217.db2.gz REIOXRVCTQSELH-HTQZYQBOSA-N 1 2 281.320 -1.770 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CC[C@@H](N(C)C(=O)c2nnn(C)n2)C1 ZINC001033337863 656704224 /nfs/dbraw/zinc/70/42/24/656704224.db2.gz REIOXRVCTQSELH-HTQZYQBOSA-N 1 2 281.320 -1.770 20 0 CAADLO CN(C(=O)[C@H]1[C@@H]2COC[C@@H]21)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001033329711 656705720 /nfs/dbraw/zinc/70/57/20/656705720.db2.gz AIVIFGYZZNLDBL-UXCLJVHYSA-N 1 2 267.329 -1.103 20 0 CAADLO CN(C(=O)[C@H]1[C@@H]2COC[C@@H]21)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033329711 656705724 /nfs/dbraw/zinc/70/57/24/656705724.db2.gz AIVIFGYZZNLDBL-UXCLJVHYSA-N 1 2 267.329 -1.103 20 0 CAADLO CN(C(=O)[C@H]1CN(C)C(=O)N1)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001033328496 656706266 /nfs/dbraw/zinc/70/62/66/656706266.db2.gz OYBXKDFMEKYLGP-RKDXNWHRSA-N 1 2 283.332 -1.972 20 0 CAADLO CN(C(=O)[C@H]1CN(C)C(=O)N1)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033328496 656706285 /nfs/dbraw/zinc/70/62/85/656706285.db2.gz OYBXKDFMEKYLGP-RKDXNWHRSA-N 1 2 283.332 -1.972 20 0 CAADLO C[C@H]1CN(C(=O)C[NH+]2C[C@H](O)[C@@H](O)C2)C[C@H](C)O1 ZINC000625711664 656706945 /nfs/dbraw/zinc/70/69/45/656706945.db2.gz GIDXKLUXIGCUEY-NAKRPEOUSA-N 1 2 258.318 -1.340 20 0 CAADLO CN(C(=O)C[N@@H+]1CC[C@H](N(C)C(=O)C(N)=O)C1)C1CC1 ZINC001033379495 656707814 /nfs/dbraw/zinc/70/78/14/656707814.db2.gz VIEMOUNIYOZNEB-JTQLQIEISA-N 1 2 282.344 -1.375 20 0 CAADLO CN(C(=O)C[N@H+]1CC[C@H](N(C)C(=O)C(N)=O)C1)C1CC1 ZINC001033379495 656707829 /nfs/dbraw/zinc/70/78/29/656707829.db2.gz VIEMOUNIYOZNEB-JTQLQIEISA-N 1 2 282.344 -1.375 20 0 CAADLO CN(C(=O)[C@@]1(C)CCC(=O)NC1)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001033341686 656708357 /nfs/dbraw/zinc/70/83/57/656708357.db2.gz BOSGRZZPROFLSI-YGRLFVJLSA-N 1 2 296.371 -1.079 20 0 CAADLO CN(C(=O)[C@@]1(C)CCC(=O)NC1)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033341686 656708369 /nfs/dbraw/zinc/70/83/69/656708369.db2.gz BOSGRZZPROFLSI-YGRLFVJLSA-N 1 2 296.371 -1.079 20 0 CAADLO CN(C(=O)[C@@H]1CNC(=O)N1)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001033381109 656708692 /nfs/dbraw/zinc/70/86/92/656708692.db2.gz VKQMIKZNMYRKQO-SFYZADRCSA-N 1 2 269.305 -2.314 20 0 CAADLO CN(C(=O)[C@@H]1CNC(=O)N1)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033381109 656708706 /nfs/dbraw/zinc/70/87/06/656708706.db2.gz VKQMIKZNMYRKQO-SFYZADRCSA-N 1 2 269.305 -2.314 20 0 CAADLO CN(C(=O)[C@@]1(C)CCC(=O)NC1)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001033341683 656708730 /nfs/dbraw/zinc/70/87/30/656708730.db2.gz BOSGRZZPROFLSI-HZMBPMFUSA-N 1 2 296.371 -1.079 20 0 CAADLO CN(C(=O)[C@@]1(C)CCC(=O)NC1)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033341683 656708734 /nfs/dbraw/zinc/70/87/34/656708734.db2.gz BOSGRZZPROFLSI-HZMBPMFUSA-N 1 2 296.371 -1.079 20 0 CAADLO CN(C(=O)C(N)=O)[C@@H]1CC[N@H+](CC(=O)N2CCC2)C1 ZINC001033374305 656710545 /nfs/dbraw/zinc/71/05/45/656710545.db2.gz VULQAFYHFIGBKS-SECBINFHSA-N 1 2 268.317 -1.763 20 0 CAADLO CN(C(=O)C(N)=O)[C@@H]1CC[N@@H+](CC(=O)N2CCC2)C1 ZINC001033374305 656710549 /nfs/dbraw/zinc/71/05/49/656710549.db2.gz VULQAFYHFIGBKS-SECBINFHSA-N 1 2 268.317 -1.763 20 0 CAADLO CN(C(=O)C(N)=O)[C@H]1CC[N@@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001033376699 656710665 /nfs/dbraw/zinc/71/06/65/656710665.db2.gz SZCAGGXGNUIOFO-JGVFFNPUSA-N 1 2 282.300 -2.190 20 0 CAADLO CN(C(=O)C(N)=O)[C@H]1CC[N@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001033376699 656710670 /nfs/dbraw/zinc/71/06/70/656710670.db2.gz SZCAGGXGNUIOFO-JGVFFNPUSA-N 1 2 282.300 -2.190 20 0 CAADLO CN(C(=O)C(N)=O)[C@@H]1CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001033376680 656710685 /nfs/dbraw/zinc/71/06/85/656710685.db2.gz SSUSUZGYZLMTQX-SFYZADRCSA-N 1 2 254.290 -2.107 20 0 CAADLO CN(C(=O)C(N)=O)[C@@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001033376680 656710690 /nfs/dbraw/zinc/71/06/90/656710690.db2.gz SSUSUZGYZLMTQX-SFYZADRCSA-N 1 2 254.290 -2.107 20 0 CAADLO CN(C(=O)C(N)=O)[C@@H]1CC[N@@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001033376698 656711217 /nfs/dbraw/zinc/71/12/17/656711217.db2.gz SZCAGGXGNUIOFO-HTQZYQBOSA-N 1 2 282.300 -2.190 20 0 CAADLO CN(C(=O)C(N)=O)[C@@H]1CC[N@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001033376698 656711227 /nfs/dbraw/zinc/71/12/27/656711227.db2.gz SZCAGGXGNUIOFO-HTQZYQBOSA-N 1 2 282.300 -2.190 20 0 CAADLO CN(C)C(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)C(N)=O)C1 ZINC001033375360 656711408 /nfs/dbraw/zinc/71/14/08/656711408.db2.gz DWPMTBHGFLOHBI-MRVPVSSYSA-N 1 2 256.306 -1.907 20 0 CAADLO CN(C)C(=O)C[N@H+]1CC[C@@H](N(C)C(=O)C(N)=O)C1 ZINC001033375360 656711415 /nfs/dbraw/zinc/71/14/15/656711415.db2.gz DWPMTBHGFLOHBI-MRVPVSSYSA-N 1 2 256.306 -1.907 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+]1CC[C@@H](N(C)C(=O)C(N)=O)C1 ZINC001033375125 656711686 /nfs/dbraw/zinc/71/16/86/656711686.db2.gz CBYHEOPKKAEAFU-JGVFFNPUSA-N 1 2 256.306 -1.861 20 0 CAADLO CNC(=O)[C@H](C)[N@H+]1CC[C@@H](N(C)C(=O)C(N)=O)C1 ZINC001033375125 656711690 /nfs/dbraw/zinc/71/16/90/656711690.db2.gz CBYHEOPKKAEAFU-JGVFFNPUSA-N 1 2 256.306 -1.861 20 0 CAADLO CN(C(=O)[C@]1(C)CCC(=O)N1)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001033389257 656712965 /nfs/dbraw/zinc/71/29/65/656712965.db2.gz LLAIERRPDZFGOF-RNCFNFMXSA-N 1 2 282.344 -1.327 20 0 CAADLO CN(C(=O)[C@]1(C)CCC(=O)N1)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033389257 656712972 /nfs/dbraw/zinc/71/29/72/656712972.db2.gz LLAIERRPDZFGOF-RNCFNFMXSA-N 1 2 282.344 -1.327 20 0 CAADLO CN(C(=O)[C@]1(C)CCNC1=O)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001033421385 656713523 /nfs/dbraw/zinc/71/35/23/656713523.db2.gz NVDLPCRUHNDQTE-NOZJJQNGSA-N 1 2 282.344 -1.469 20 0 CAADLO CN(C(=O)[C@]1(C)CCNC1=O)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033421385 656713534 /nfs/dbraw/zinc/71/35/34/656713534.db2.gz NVDLPCRUHNDQTE-NOZJJQNGSA-N 1 2 282.344 -1.469 20 0 CAADLO CN(C(=O)c1cnn(C)n1)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001033502192 656714478 /nfs/dbraw/zinc/71/44/78/656714478.db2.gz KSKQBYNGAFPBFD-QMMMGPOBSA-N 1 2 266.305 -1.553 20 0 CAADLO CN(C(=O)c1cnn(C)n1)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033502192 656714489 /nfs/dbraw/zinc/71/44/89/656714489.db2.gz KSKQBYNGAFPBFD-QMMMGPOBSA-N 1 2 266.305 -1.553 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CC[C@H](N(C)C(=O)c2cnn(C)n2)C1 ZINC001033495127 656714718 /nfs/dbraw/zinc/71/47/18/656714718.db2.gz OZSBCZDXLKTGAB-IUCAKERBSA-N 1 2 280.332 -1.165 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CC[C@H](N(C)C(=O)c2cnn(C)n2)C1 ZINC001033495127 656714728 /nfs/dbraw/zinc/71/47/28/656714728.db2.gz OZSBCZDXLKTGAB-IUCAKERBSA-N 1 2 280.332 -1.165 20 0 CAADLO CN(C(=O)[C@H]1C[C@H]1C(N)=O)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001033430328 656714957 /nfs/dbraw/zinc/71/49/57/656714957.db2.gz ZTSGDDAZTKHRQT-YIZRAAEISA-N 1 2 268.317 -1.874 20 0 CAADLO CN(C(=O)[C@H]1C[C@H]1C(N)=O)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033430328 656714965 /nfs/dbraw/zinc/71/49/65/656714965.db2.gz ZTSGDDAZTKHRQT-YIZRAAEISA-N 1 2 268.317 -1.874 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CC[C@H](N(C)C(=O)c2nc[nH]n2)C1 ZINC001033513410 656715405 /nfs/dbraw/zinc/71/54/05/656715405.db2.gz NCGQQAOGKWYMMY-SFYZADRCSA-N 1 2 266.305 -1.175 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CC[C@H](N(C)C(=O)c2nc[nH]n2)C1 ZINC001033513410 656715414 /nfs/dbraw/zinc/71/54/14/656715414.db2.gz NCGQQAOGKWYMMY-SFYZADRCSA-N 1 2 266.305 -1.175 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CC[C@H](N(C)C(=O)c2nc[nH]n2)C1 ZINC001033513412 656715917 /nfs/dbraw/zinc/71/59/17/656715917.db2.gz NCGQQAOGKWYMMY-YUMQZZPRSA-N 1 2 266.305 -1.175 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CC[C@H](N(C)C(=O)c2nc[nH]n2)C1 ZINC001033513412 656715944 /nfs/dbraw/zinc/71/59/44/656715944.db2.gz NCGQQAOGKWYMMY-YUMQZZPRSA-N 1 2 266.305 -1.175 20 0 CAADLO CN(C(=O)c1cnn(C)n1)[C@@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001033502897 656716061 /nfs/dbraw/zinc/71/60/61/656716061.db2.gz SNIVFXZBXRUDQZ-MWLCHTKSSA-N 1 2 292.343 -1.150 20 0 CAADLO CN(C(=O)c1cnn(C)n1)[C@@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001033502897 656716066 /nfs/dbraw/zinc/71/60/66/656716066.db2.gz SNIVFXZBXRUDQZ-MWLCHTKSSA-N 1 2 292.343 -1.150 20 0 CAADLO CN(C(=O)C1CC(=O)NC(=O)C1)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001033502219 656716781 /nfs/dbraw/zinc/71/67/81/656716781.db2.gz LJUXUKQBVSCSSH-VIFPVBQESA-N 1 2 296.327 -1.943 20 0 CAADLO CN(C(=O)C1CC(=O)NC(=O)C1)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033502219 656716794 /nfs/dbraw/zinc/71/67/94/656716794.db2.gz LJUXUKQBVSCSSH-VIFPVBQESA-N 1 2 296.327 -1.943 20 0 CAADLO CN(C(=O)c1cnn(C)n1)[C@H]1CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001033502899 656716936 /nfs/dbraw/zinc/71/69/36/656716936.db2.gz SNIVFXZBXRUDQZ-ONGXEEELSA-N 1 2 292.343 -1.150 20 0 CAADLO CN(C(=O)c1cnn(C)n1)[C@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001033502899 656716940 /nfs/dbraw/zinc/71/69/40/656716940.db2.gz SNIVFXZBXRUDQZ-ONGXEEELSA-N 1 2 292.343 -1.150 20 0 CAADLO CCn1cc(C(=O)N(C)[C@@H]2CC[N@H+](CC(N)=O)C2)nn1 ZINC001033548155 656718412 /nfs/dbraw/zinc/71/84/12/656718412.db2.gz GQQUBPRPTCVTLS-SECBINFHSA-N 1 2 280.332 -1.070 20 0 CAADLO CCn1cc(C(=O)N(C)[C@@H]2CC[N@@H+](CC(N)=O)C2)nn1 ZINC001033548155 656718418 /nfs/dbraw/zinc/71/84/18/656718418.db2.gz GQQUBPRPTCVTLS-SECBINFHSA-N 1 2 280.332 -1.070 20 0 CAADLO C[C@H]1CCN(C(=O)C(N)=O)C[C@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC001005200728 656718471 /nfs/dbraw/zinc/71/84/71/656718471.db2.gz UEVLZVKPXBBPHP-DTWKUNHWSA-N 1 2 293.327 -1.209 20 0 CAADLO Cc1nonc1CC(=O)N(C)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001033537437 656718649 /nfs/dbraw/zinc/71/86/49/656718649.db2.gz NETKBGQBVWOWBK-SECBINFHSA-N 1 2 281.316 -1.061 20 0 CAADLO Cc1nonc1CC(=O)N(C)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033537437 656718663 /nfs/dbraw/zinc/71/86/63/656718663.db2.gz NETKBGQBVWOWBK-SECBINFHSA-N 1 2 281.316 -1.061 20 0 CAADLO CN(C(=O)Cc1ncc[nH]1)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001033544119 656718755 /nfs/dbraw/zinc/71/87/55/656718755.db2.gz PTAFLQPYJKLKAC-SECBINFHSA-N 1 2 265.317 -1.030 20 0 CAADLO CN(C(=O)Cc1ncc[nH]1)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033544119 656718763 /nfs/dbraw/zinc/71/87/63/656718763.db2.gz PTAFLQPYJKLKAC-SECBINFHSA-N 1 2 265.317 -1.030 20 0 CAADLO C[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1NC(=O)C(N)=O ZINC001005217531 656720340 /nfs/dbraw/zinc/72/03/40/656720340.db2.gz NXCHOOUAQMWUJI-WCBMZHEXSA-N 1 2 293.327 -1.209 20 0 CAADLO C[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1NC(=O)C(N)=O ZINC001005217530 656721396 /nfs/dbraw/zinc/72/13/96/656721396.db2.gz NXCHOOUAQMWUJI-SCZZXKLOSA-N 1 2 293.327 -1.209 20 0 CAADLO CN(C(=O)Cc1ncn[nH]1)[C@@H]1CC[N@H+](CCO)C1 ZINC001033570522 656721505 /nfs/dbraw/zinc/72/15/05/656721505.db2.gz BIAMWSMAGSMDQQ-SECBINFHSA-N 1 2 253.306 -1.128 20 0 CAADLO CN(C(=O)Cc1ncn[nH]1)[C@@H]1CC[N@@H+](CCO)C1 ZINC001033570522 656721509 /nfs/dbraw/zinc/72/15/09/656721509.db2.gz BIAMWSMAGSMDQQ-SECBINFHSA-N 1 2 253.306 -1.128 20 0 CAADLO CC(=O)N1CC[C@H](C(=O)N(C)[C@@H]2CC[N@H+](CC(N)=O)C2)C1 ZINC001033618348 656722940 /nfs/dbraw/zinc/72/29/40/656722940.db2.gz CMVAFFQCKHOPCE-NWDGAFQWSA-N 1 2 296.371 -1.127 20 0 CAADLO CC(=O)N1CC[C@H](C(=O)N(C)[C@@H]2CC[N@@H+](CC(N)=O)C2)C1 ZINC001033618348 656722947 /nfs/dbraw/zinc/72/29/47/656722947.db2.gz CMVAFFQCKHOPCE-NWDGAFQWSA-N 1 2 296.371 -1.127 20 0 CAADLO C[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C[C@@H]1NC(=O)C(N)=O ZINC001005230686 656723005 /nfs/dbraw/zinc/72/30/05/656723005.db2.gz FOMXXIRCPAVWIZ-UWVGGRQHSA-N 1 2 293.327 -1.278 20 0 CAADLO C[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1NC(=O)C(N)=O ZINC001005230577 656723677 /nfs/dbraw/zinc/72/36/77/656723677.db2.gz DZZWFQJJPWJQJN-RKDXNWHRSA-N 1 2 293.327 -1.209 20 0 CAADLO CC(=O)N1CC[C@H](C(=O)N(C)[C@H]2CC[N@H+](CC(N)=O)C2)C1 ZINC001033618350 656724428 /nfs/dbraw/zinc/72/44/28/656724428.db2.gz CMVAFFQCKHOPCE-RYUDHWBXSA-N 1 2 296.371 -1.127 20 0 CAADLO CC(=O)N1CC[C@H](C(=O)N(C)[C@H]2CC[N@@H+](CC(N)=O)C2)C1 ZINC001033618350 656724437 /nfs/dbraw/zinc/72/44/37/656724437.db2.gz CMVAFFQCKHOPCE-RYUDHWBXSA-N 1 2 296.371 -1.127 20 0 CAADLO CN(C(=O)c1ccc(=O)n(C)n1)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001033639842 656726865 /nfs/dbraw/zinc/72/68/65/656726865.db2.gz ILSOPVZXJJIAOB-VIFPVBQESA-N 1 2 293.327 -1.588 20 0 CAADLO CN(C(=O)c1ccc(=O)n(C)n1)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033639842 656726881 /nfs/dbraw/zinc/72/68/81/656726881.db2.gz ILSOPVZXJJIAOB-VIFPVBQESA-N 1 2 293.327 -1.588 20 0 CAADLO C[C@@H](C(=O)N(C)[C@H]1CC[N@H+](CC(N)=O)C1)N1CCOCC1 ZINC001033718902 656728526 /nfs/dbraw/zinc/72/85/26/656728526.db2.gz KWLCIGANPURPNE-RYUDHWBXSA-N 1 2 298.387 -1.275 20 0 CAADLO C[C@@H](C(=O)N(C)[C@H]1CC[N@@H+](CC(N)=O)C1)N1CCOCC1 ZINC001033718902 656728543 /nfs/dbraw/zinc/72/85/43/656728543.db2.gz KWLCIGANPURPNE-RYUDHWBXSA-N 1 2 298.387 -1.275 20 0 CAADLO CN(C(=O)[C@H]1CCC(=O)N(C)C1)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001033688276 656728589 /nfs/dbraw/zinc/72/85/89/656728589.db2.gz KFBJZKYJRXJUND-QWRGUYRKSA-N 1 2 296.371 -1.127 20 0 CAADLO CN(C(=O)[C@H]1CCC(=O)N(C)C1)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033688276 656728598 /nfs/dbraw/zinc/72/85/98/656728598.db2.gz KFBJZKYJRXJUND-QWRGUYRKSA-N 1 2 296.371 -1.127 20 0 CAADLO CN(C(=O)c1cn(CC(N)=O)nn1)[C@H]1CC[N@H+](CCF)C1 ZINC001033684476 656728737 /nfs/dbraw/zinc/72/87/37/656728737.db2.gz GBJVVSQWCNZHJM-VIFPVBQESA-N 1 2 298.322 -1.121 20 0 CAADLO CN(C(=O)c1cn(CC(N)=O)nn1)[C@H]1CC[N@@H+](CCF)C1 ZINC001033684476 656728751 /nfs/dbraw/zinc/72/87/51/656728751.db2.gz GBJVVSQWCNZHJM-VIFPVBQESA-N 1 2 298.322 -1.121 20 0 CAADLO CN(C(=O)c1cn(C)c(=O)n1C)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001033692930 656730698 /nfs/dbraw/zinc/73/06/98/656730698.db2.gz NIBRZAKFIZDOPS-SECBINFHSA-N 1 2 295.343 -1.645 20 0 CAADLO CN(C(=O)c1cn(C)c(=O)n1C)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033692930 656730705 /nfs/dbraw/zinc/73/07/05/656730705.db2.gz NIBRZAKFIZDOPS-SECBINFHSA-N 1 2 295.343 -1.645 20 0 CAADLO CCN(C(=O)c1ncn(C)n1)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001033821108 656731534 /nfs/dbraw/zinc/73/15/34/656731534.db2.gz QGYRSPUIENUEHK-VIFPVBQESA-N 1 2 280.332 -1.163 20 0 CAADLO CCN(C(=O)c1ncn(C)n1)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033821108 656731537 /nfs/dbraw/zinc/73/15/37/656731537.db2.gz QGYRSPUIENUEHK-VIFPVBQESA-N 1 2 280.332 -1.163 20 0 CAADLO CCN(C(=O)[C@H]1CCCNC1=O)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001033862402 656731571 /nfs/dbraw/zinc/73/15/71/656731571.db2.gz BSLFHXBBJNCXJG-QWRGUYRKSA-N 1 2 296.371 -1.079 20 0 CAADLO CCN(C(=O)[C@H]1CCCNC1=O)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033862402 656731575 /nfs/dbraw/zinc/73/15/75/656731575.db2.gz BSLFHXBBJNCXJG-QWRGUYRKSA-N 1 2 296.371 -1.079 20 0 CAADLO CCN(C(=O)[C@H]1CCC(=O)NC1)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001033883657 656731652 /nfs/dbraw/zinc/73/16/52/656731652.db2.gz ZYEWPZKATKSGGG-QWRGUYRKSA-N 1 2 296.371 -1.079 20 0 CAADLO CCN(C(=O)[C@H]1CCC(=O)NC1)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033883657 656731657 /nfs/dbraw/zinc/73/16/57/656731657.db2.gz ZYEWPZKATKSGGG-QWRGUYRKSA-N 1 2 296.371 -1.079 20 0 CAADLO CCN(C(=O)C1CN(C(C)=O)C1)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001033810242 656731934 /nfs/dbraw/zinc/73/19/34/656731934.db2.gz RATHIFLFBJFNSN-LBPRGKRZSA-N 1 2 296.371 -1.127 20 0 CAADLO CCN(C(=O)C1CN(C(C)=O)C1)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033810242 656731940 /nfs/dbraw/zinc/73/19/40/656731940.db2.gz RATHIFLFBJFNSN-LBPRGKRZSA-N 1 2 296.371 -1.127 20 0 CAADLO CCN(C(=O)[C@H]1CCC(=O)N1)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001033774701 656732237 /nfs/dbraw/zinc/73/22/37/656732237.db2.gz DRBCLTBNWGWCAP-NXEZZACHSA-N 1 2 282.344 -1.327 20 0 CAADLO CCN(C(=O)[C@H]1CCC(=O)N1)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033774701 656732245 /nfs/dbraw/zinc/73/22/45/656732245.db2.gz DRBCLTBNWGWCAP-NXEZZACHSA-N 1 2 282.344 -1.327 20 0 CAADLO CCN(C(=O)[C@@H]1COCCN1C)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001033794874 656732511 /nfs/dbraw/zinc/73/25/11/656732511.db2.gz JQBVYZPLNBAUEE-RYUDHWBXSA-N 1 2 298.387 -1.275 20 0 CAADLO CCN(C(=O)[C@@H]1COCCN1C)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033794874 656732515 /nfs/dbraw/zinc/73/25/15/656732515.db2.gz JQBVYZPLNBAUEE-RYUDHWBXSA-N 1 2 298.387 -1.275 20 0 CAADLO CCN(C(=O)[C@H]1COC(=O)N1)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001033815034 656732597 /nfs/dbraw/zinc/73/25/97/656732597.db2.gz GXKMNEOJBANDTF-RKDXNWHRSA-N 1 2 284.316 -1.497 20 0 CAADLO CCN(C(=O)[C@H]1COC(=O)N1)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033815034 656732609 /nfs/dbraw/zinc/73/26/09/656732609.db2.gz GXKMNEOJBANDTF-RKDXNWHRSA-N 1 2 284.316 -1.497 20 0 CAADLO CCN(C(=O)[C@@H]1CC(=O)N(C)C1)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001033852917 656732722 /nfs/dbraw/zinc/73/27/22/656732722.db2.gz ORZVGKHJDOOYEW-GHMZBOCLSA-N 1 2 296.371 -1.127 20 0 CAADLO CCN(C(=O)[C@@H]1CC(=O)N(C)C1)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033852917 656732723 /nfs/dbraw/zinc/73/27/23/656732723.db2.gz ORZVGKHJDOOYEW-GHMZBOCLSA-N 1 2 296.371 -1.127 20 0 CAADLO CCN(C(=O)[C@@H]1CCC(=O)NC1)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001033883655 656732766 /nfs/dbraw/zinc/73/27/66/656732766.db2.gz ZYEWPZKATKSGGG-MNOVXSKESA-N 1 2 296.371 -1.079 20 0 CAADLO CCN(C(=O)[C@@H]1CCC(=O)NC1)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033883655 656732770 /nfs/dbraw/zinc/73/27/70/656732770.db2.gz ZYEWPZKATKSGGG-MNOVXSKESA-N 1 2 296.371 -1.079 20 0 CAADLO CCN(C(=O)[C@@H]1CCC(=O)NC1)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001033883652 656732858 /nfs/dbraw/zinc/73/28/58/656732858.db2.gz ZYEWPZKATKSGGG-GHMZBOCLSA-N 1 2 296.371 -1.079 20 0 CAADLO CCN(C(=O)[C@@H]1CCC(=O)NC1)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033883652 656732862 /nfs/dbraw/zinc/73/28/62/656732862.db2.gz ZYEWPZKATKSGGG-GHMZBOCLSA-N 1 2 296.371 -1.079 20 0 CAADLO CCN(C(=O)[C@@H]1CCCNC1=O)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001033862400 656732918 /nfs/dbraw/zinc/73/29/18/656732918.db2.gz BSLFHXBBJNCXJG-GHMZBOCLSA-N 1 2 296.371 -1.079 20 0 CAADLO CCN(C(=O)[C@@H]1CCCNC1=O)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033862400 656732923 /nfs/dbraw/zinc/73/29/23/656732923.db2.gz BSLFHXBBJNCXJG-GHMZBOCLSA-N 1 2 296.371 -1.079 20 0 CAADLO CCN(C(=O)[C@@H]1CCNC1=O)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001033921099 656733775 /nfs/dbraw/zinc/73/37/75/656733775.db2.gz ANOYGKHORSTJTI-VHSXEESVSA-N 1 2 282.344 -1.469 20 0 CAADLO CCN(C(=O)[C@@H]1CCNC1=O)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033921099 656733782 /nfs/dbraw/zinc/73/37/82/656733782.db2.gz ANOYGKHORSTJTI-VHSXEESVSA-N 1 2 282.344 -1.469 20 0 CAADLO CCN(C(=O)[C@H]1CN(C)C(=O)N1)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001033922280 656734410 /nfs/dbraw/zinc/73/44/10/656734410.db2.gz KQRMZQIGPSOAKI-NXEZZACHSA-N 1 2 297.359 -1.582 20 0 CAADLO CCN(C(=O)[C@H]1CN(C)C(=O)N1)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033922280 656734418 /nfs/dbraw/zinc/73/44/18/656734418.db2.gz KQRMZQIGPSOAKI-NXEZZACHSA-N 1 2 297.359 -1.582 20 0 CAADLO CCN(C(=O)[C@H]1C[C@H]1C(N)=O)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001033960474 656734438 /nfs/dbraw/zinc/73/44/38/656734438.db2.gz VFBNPEPAEUHBOC-BBBLOLIVSA-N 1 2 282.344 -1.484 20 0 CAADLO CCN(C(=O)[C@H]1C[C@H]1C(N)=O)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033960474 656734443 /nfs/dbraw/zinc/73/44/43/656734443.db2.gz VFBNPEPAEUHBOC-BBBLOLIVSA-N 1 2 282.344 -1.484 20 0 CAADLO CCN(C(=O)[C@@H]1CCC(=O)N1)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001034024653 656734817 /nfs/dbraw/zinc/73/48/17/656734817.db2.gz DRBCLTBNWGWCAP-UWVGGRQHSA-N 1 2 282.344 -1.327 20 0 CAADLO CCN(C(=O)[C@@H]1CCC(=O)N1)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001034024653 656734831 /nfs/dbraw/zinc/73/48/31/656734831.db2.gz DRBCLTBNWGWCAP-UWVGGRQHSA-N 1 2 282.344 -1.327 20 0 CAADLO CCN(C(=O)[C@H]1CCN(C)C1=O)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001033930111 656734851 /nfs/dbraw/zinc/73/48/51/656734851.db2.gz SKSODTCEGGLQGD-MNOVXSKESA-N 1 2 296.371 -1.127 20 0 CAADLO CCN(C(=O)[C@H]1CCN(C)C1=O)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033930111 656734859 /nfs/dbraw/zinc/73/48/59/656734859.db2.gz SKSODTCEGGLQGD-MNOVXSKESA-N 1 2 296.371 -1.127 20 0 CAADLO CCN(C(=O)[C@H]1CN(C)C(=O)N1)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001033922288 656735096 /nfs/dbraw/zinc/73/50/96/656735096.db2.gz KQRMZQIGPSOAKI-VHSXEESVSA-N 1 2 297.359 -1.582 20 0 CAADLO CCN(C(=O)[C@H]1CN(C)C(=O)N1)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033922288 656735099 /nfs/dbraw/zinc/73/50/99/656735099.db2.gz KQRMZQIGPSOAKI-VHSXEESVSA-N 1 2 297.359 -1.582 20 0 CAADLO CCN(C(=O)c1cnn(C)n1)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001033982701 656735433 /nfs/dbraw/zinc/73/54/33/656735433.db2.gz GTRABQWMIGXBPE-SECBINFHSA-N 1 2 280.332 -1.163 20 0 CAADLO CCN(C(=O)c1cnn(C)n1)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033982701 656735436 /nfs/dbraw/zinc/73/54/36/656735436.db2.gz GTRABQWMIGXBPE-SECBINFHSA-N 1 2 280.332 -1.163 20 0 CAADLO Cn1cnc(C(=O)N[C@H]2CCCC[N@H+](CC(N)=O)C2)n1 ZINC001034195859 656737923 /nfs/dbraw/zinc/73/79/23/656737923.db2.gz JRJOAOQHSMKSEQ-VIFPVBQESA-N 1 2 280.332 -1.115 20 0 CAADLO Cn1cnc(C(=O)N[C@H]2CCCC[N@@H+](CC(N)=O)C2)n1 ZINC001034195859 656737950 /nfs/dbraw/zinc/73/79/50/656737950.db2.gz JRJOAOQHSMKSEQ-VIFPVBQESA-N 1 2 280.332 -1.115 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CCCC[C@H](NC(=O)C(N)=O)C1 ZINC001034371835 656740116 /nfs/dbraw/zinc/74/01/16/656740116.db2.gz GDBNMCMSZCEBBU-YUMQZZPRSA-N 1 2 256.306 -1.684 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CCCC[C@H](NC(=O)C(N)=O)C1 ZINC001034371835 656740132 /nfs/dbraw/zinc/74/01/32/656740132.db2.gz GDBNMCMSZCEBBU-YUMQZZPRSA-N 1 2 256.306 -1.684 20 0 CAADLO Cn1nncc1C[N@@H+]1CCCC[C@@H](NC(=O)C(N)=O)C1 ZINC001034373083 656743862 /nfs/dbraw/zinc/74/38/62/656743862.db2.gz RUPZPDJIFAYZTP-SECBINFHSA-N 1 2 280.332 -1.229 20 0 CAADLO Cn1nncc1C[N@H+]1CCCC[C@@H](NC(=O)C(N)=O)C1 ZINC001034373083 656743869 /nfs/dbraw/zinc/74/38/69/656743869.db2.gz RUPZPDJIFAYZTP-SECBINFHSA-N 1 2 280.332 -1.229 20 0 CAADLO Cn1ncc(C(=O)N[C@H]2CCCC[N@H+](CC(N)=O)C2)n1 ZINC001034453198 656745975 /nfs/dbraw/zinc/74/59/75/656745975.db2.gz UASJMGKJNFOQGT-VIFPVBQESA-N 1 2 280.332 -1.115 20 0 CAADLO Cn1ncc(C(=O)N[C@H]2CCCC[N@@H+](CC(N)=O)C2)n1 ZINC001034453198 656745979 /nfs/dbraw/zinc/74/59/79/656745979.db2.gz UASJMGKJNFOQGT-VIFPVBQESA-N 1 2 280.332 -1.115 20 0 CAADLO Cn1nnc(C[NH2+]C[C@H]2CCCN2C(=O)CC(N)=O)n1 ZINC001034889426 656750499 /nfs/dbraw/zinc/75/04/99/656750499.db2.gz OOUVRZLFNCKWSM-MRVPVSSYSA-N 1 2 281.320 -1.834 20 0 CAADLO C[C@H](C(=O)N1CC[N@H+](C)C[C@H]1CO)n1cncn1 ZINC000703856794 656751236 /nfs/dbraw/zinc/75/12/36/656751236.db2.gz WMVLFXWLTQUVOR-ZJUUUORDSA-N 1 2 253.306 -1.026 20 0 CAADLO C[C@H](C(=O)N1CC[N@@H+](C)C[C@H]1CO)n1cncn1 ZINC000703856794 656751243 /nfs/dbraw/zinc/75/12/43/656751243.db2.gz WMVLFXWLTQUVOR-ZJUUUORDSA-N 1 2 253.306 -1.026 20 0 CAADLO Cn1[nH]c(C[NH2+]C[C@H]2CCCN2C(=O)C(N)=O)nc1=O ZINC001035032331 656752444 /nfs/dbraw/zinc/75/24/44/656752444.db2.gz QNLCAUNKRHYNGF-SSDOTTSWSA-N 1 2 282.304 -2.326 20 0 CAADLO O=C(Cc1ncn[nH]1)N1CCC[C@@H]1C[NH2+][C@H]1CCNC1=O ZINC001035098993 656752555 /nfs/dbraw/zinc/75/25/55/656752555.db2.gz WEYDVSWBAYIJGD-ZJUUUORDSA-N 1 2 292.343 -1.184 20 0 CAADLO Cc1nonc1C[NH2+]C[C@H]1CCCN1C(=O)C(N)=O ZINC001035032433 656752786 /nfs/dbraw/zinc/75/27/86/656752786.db2.gz WJPDLHPFXMLEGA-MRVPVSSYSA-N 1 2 267.289 -1.056 20 0 CAADLO NC(=O)C(=O)N1CCC[C@@H]1C[NH2+]Cc1cnon1 ZINC001035034638 656753712 /nfs/dbraw/zinc/75/37/12/656753712.db2.gz JMKDGIQHVVEEFL-MRVPVSSYSA-N 1 2 253.262 -1.365 20 0 CAADLO COCC[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2COCCO2)C1 ZINC001035294148 656754127 /nfs/dbraw/zinc/75/41/27/656754127.db2.gz ITXLABGORUSXKC-NWDGAFQWSA-N 1 2 288.344 -1.135 20 0 CAADLO COCC[N@H+]1CCO[C@@H](CNC(=O)[C@H]2COCCO2)C1 ZINC001035294148 656754137 /nfs/dbraw/zinc/75/41/37/656754137.db2.gz ITXLABGORUSXKC-NWDGAFQWSA-N 1 2 288.344 -1.135 20 0 CAADLO CC(=O)NC[C@@H]1C[N@H+](CCCN2C(=O)CNC2=O)CCO1 ZINC001035262775 656754517 /nfs/dbraw/zinc/75/45/17/656754517.db2.gz SIHFTTZBXBZAKW-LLVKDONJSA-N 1 2 298.343 -1.235 20 0 CAADLO CC(=O)NC[C@@H]1C[N@@H+](CCCN2C(=O)CNC2=O)CCO1 ZINC001035262775 656754523 /nfs/dbraw/zinc/75/45/23/656754523.db2.gz SIHFTTZBXBZAKW-LLVKDONJSA-N 1 2 298.343 -1.235 20 0 CAADLO COCC[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2COCCO2)C1 ZINC001035294147 656755019 /nfs/dbraw/zinc/75/50/19/656755019.db2.gz ITXLABGORUSXKC-NEPJUHHUSA-N 1 2 288.344 -1.135 20 0 CAADLO COCC[N@H+]1CCO[C@H](CNC(=O)[C@@H]2COCCO2)C1 ZINC001035294147 656755027 /nfs/dbraw/zinc/75/50/27/656755027.db2.gz ITXLABGORUSXKC-NEPJUHHUSA-N 1 2 288.344 -1.135 20 0 CAADLO O=C(NC[C@@H]1C[N@H+](CCO)CCO1)C1=COCCO1 ZINC001035280679 656755524 /nfs/dbraw/zinc/75/55/24/656755524.db2.gz WWHITDNFDQZKGZ-SNVBAGLBSA-N 1 2 272.301 -1.316 20 0 CAADLO O=C(NC[C@@H]1C[N@@H+](CCO)CCO1)C1=COCCO1 ZINC001035280679 656755529 /nfs/dbraw/zinc/75/55/29/656755529.db2.gz WWHITDNFDQZKGZ-SNVBAGLBSA-N 1 2 272.301 -1.316 20 0 CAADLO Cn1cc(C(=O)NC[C@@H]2C[N@H+](CCO)CCO2)cn1 ZINC001035285732 656755617 /nfs/dbraw/zinc/75/56/17/656755617.db2.gz DLWPIFLWWAUREP-LLVKDONJSA-N 1 2 268.317 -1.157 20 0 CAADLO Cn1cc(C(=O)NC[C@@H]2C[N@@H+](CCO)CCO2)cn1 ZINC001035285732 656755621 /nfs/dbraw/zinc/75/56/21/656755621.db2.gz DLWPIFLWWAUREP-LLVKDONJSA-N 1 2 268.317 -1.157 20 0 CAADLO O=C(NC[C@@H]1C[N@H+](CCO)CCO1)c1ccn[nH]1 ZINC001035300905 656755778 /nfs/dbraw/zinc/75/57/78/656755778.db2.gz YYEAZIZPFBLAAW-SECBINFHSA-N 1 2 254.290 -1.167 20 0 CAADLO O=C(NC[C@@H]1C[N@@H+](CCO)CCO1)c1ccn[nH]1 ZINC001035300905 656755784 /nfs/dbraw/zinc/75/57/84/656755784.db2.gz YYEAZIZPFBLAAW-SECBINFHSA-N 1 2 254.290 -1.167 20 0 CAADLO O=C(NC[C@H]1C[N@H+](CCO)CCO1)[C@H]1COCCO1 ZINC001035302838 656756007 /nfs/dbraw/zinc/75/60/07/656756007.db2.gz MAEYMWGCFUZRDS-WDEREUQCSA-N 1 2 274.317 -1.789 20 0 CAADLO O=C(NC[C@H]1C[N@@H+](CCO)CCO1)[C@H]1COCCO1 ZINC001035302838 656756014 /nfs/dbraw/zinc/75/60/14/656756014.db2.gz MAEYMWGCFUZRDS-WDEREUQCSA-N 1 2 274.317 -1.789 20 0 CAADLO Cn1nccc1C(=O)NC[C@@H]1C[N@H+](CCO)CCO1 ZINC001035302342 656756135 /nfs/dbraw/zinc/75/61/35/656756135.db2.gz FAEFHSMJCBCQSV-SNVBAGLBSA-N 1 2 268.317 -1.157 20 0 CAADLO Cn1nccc1C(=O)NC[C@@H]1C[N@@H+](CCO)CCO1 ZINC001035302342 656756142 /nfs/dbraw/zinc/75/61/42/656756142.db2.gz FAEFHSMJCBCQSV-SNVBAGLBSA-N 1 2 268.317 -1.157 20 0 CAADLO O=C(NC[C@H]1C[N@H+](CCO)CCO1)C1=COCCO1 ZINC001035280678 656756223 /nfs/dbraw/zinc/75/62/23/656756223.db2.gz WWHITDNFDQZKGZ-JTQLQIEISA-N 1 2 272.301 -1.316 20 0 CAADLO O=C(NC[C@H]1C[N@@H+](CCO)CCO1)C1=COCCO1 ZINC001035280678 656756237 /nfs/dbraw/zinc/75/62/37/656756237.db2.gz WWHITDNFDQZKGZ-JTQLQIEISA-N 1 2 272.301 -1.316 20 0 CAADLO Cn1cc(C(=O)NC[C@H]2C[N@H+](CCO)CCO2)cn1 ZINC001035285740 656756494 /nfs/dbraw/zinc/75/64/94/656756494.db2.gz DLWPIFLWWAUREP-NSHDSACASA-N 1 2 268.317 -1.157 20 0 CAADLO Cn1cc(C(=O)NC[C@H]2C[N@@H+](CCO)CCO2)cn1 ZINC001035285740 656756498 /nfs/dbraw/zinc/75/64/98/656756498.db2.gz DLWPIFLWWAUREP-NSHDSACASA-N 1 2 268.317 -1.157 20 0 CAADLO O=C(NC[C@H]1C[N@H+](CCO)CCO1)[C@H]1CCOC1 ZINC001035306106 656757213 /nfs/dbraw/zinc/75/72/13/656757213.db2.gz HFDNQVJPNFEHCJ-QWRGUYRKSA-N 1 2 258.318 -1.168 20 0 CAADLO O=C(NC[C@H]1C[N@@H+](CCO)CCO1)[C@H]1CCOC1 ZINC001035306106 656757221 /nfs/dbraw/zinc/75/72/21/656757221.db2.gz HFDNQVJPNFEHCJ-QWRGUYRKSA-N 1 2 258.318 -1.168 20 0 CAADLO COCC[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCNC(=O)C2)C1 ZINC001035336814 656758565 /nfs/dbraw/zinc/75/85/65/656758565.db2.gz YCDUBSUZIUVOAK-NEPJUHHUSA-N 1 2 299.371 -1.024 20 0 CAADLO COCC[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCNC(=O)C2)C1 ZINC001035336814 656758570 /nfs/dbraw/zinc/75/85/70/656758570.db2.gz YCDUBSUZIUVOAK-NEPJUHHUSA-N 1 2 299.371 -1.024 20 0 CAADLO Cc1c(C(=O)NC[C@H]2C[N@H+](CCCO)CCO2)nnn1C ZINC001035319573 656758659 /nfs/dbraw/zinc/75/86/59/656758659.db2.gz JOURLTXOBUQTCJ-NSHDSACASA-N 1 2 297.359 -1.063 20 0 CAADLO Cc1c(C(=O)NC[C@H]2C[N@@H+](CCCO)CCO2)nnn1C ZINC001035319573 656758663 /nfs/dbraw/zinc/75/86/63/656758663.db2.gz JOURLTXOBUQTCJ-NSHDSACASA-N 1 2 297.359 -1.063 20 0 CAADLO COCC[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2CCNC(=O)C2)C1 ZINC001035336818 656759088 /nfs/dbraw/zinc/75/90/88/656759088.db2.gz YCDUBSUZIUVOAK-RYUDHWBXSA-N 1 2 299.371 -1.024 20 0 CAADLO COCC[N@H+]1CCO[C@@H](CNC(=O)[C@H]2CCNC(=O)C2)C1 ZINC001035336818 656759090 /nfs/dbraw/zinc/75/90/90/656759090.db2.gz YCDUBSUZIUVOAK-RYUDHWBXSA-N 1 2 299.371 -1.024 20 0 CAADLO O=C(NC[C@@H]1C[N@H+](CCO)CCO1)[C@H]1CCNC(=O)C1 ZINC001035336442 656759105 /nfs/dbraw/zinc/75/91/05/656759105.db2.gz WTRPCAPSLQMHHV-WDEREUQCSA-N 1 2 285.344 -1.678 20 0 CAADLO O=C(NC[C@@H]1C[N@@H+](CCO)CCO1)[C@H]1CCNC(=O)C1 ZINC001035336442 656759110 /nfs/dbraw/zinc/75/91/10/656759110.db2.gz WTRPCAPSLQMHHV-WDEREUQCSA-N 1 2 285.344 -1.678 20 0 CAADLO Cc1c(C(=O)NC[C@H]2C[N@H+](C[C@@H](C)O)CCO2)nnn1C ZINC001035319201 656759120 /nfs/dbraw/zinc/75/91/20/656759120.db2.gz HFCAHBNPYAVNHL-KOLCDFICSA-N 1 2 297.359 -1.065 20 0 CAADLO Cc1c(C(=O)NC[C@H]2C[N@@H+](C[C@@H](C)O)CCO2)nnn1C ZINC001035319201 656759124 /nfs/dbraw/zinc/75/91/24/656759124.db2.gz HFCAHBNPYAVNHL-KOLCDFICSA-N 1 2 297.359 -1.065 20 0 CAADLO O=C(NC[C@H]1C[N@H+](CCO)CCO1)c1cncnc1 ZINC001035346070 656759759 /nfs/dbraw/zinc/75/97/59/656759759.db2.gz DARAGODDWVYPKQ-NSHDSACASA-N 1 2 266.301 -1.101 20 0 CAADLO O=C(NC[C@H]1C[N@@H+](CCO)CCO1)c1cncnc1 ZINC001035346070 656759765 /nfs/dbraw/zinc/75/97/65/656759765.db2.gz DARAGODDWVYPKQ-NSHDSACASA-N 1 2 266.301 -1.101 20 0 CAADLO COc1cc(C(=O)NC[C@H]2C[N@H+](CCO)CCO2)ncn1 ZINC001035368384 656759793 /nfs/dbraw/zinc/75/97/93/656759793.db2.gz QADLGULDOKEPBY-JTQLQIEISA-N 1 2 296.327 -1.092 20 0 CAADLO COc1cc(C(=O)NC[C@H]2C[N@@H+](CCO)CCO2)ncn1 ZINC001035368384 656759797 /nfs/dbraw/zinc/75/97/97/656759797.db2.gz QADLGULDOKEPBY-JTQLQIEISA-N 1 2 296.327 -1.092 20 0 CAADLO CN1CCOC[C@H]1C(=O)NC[C@H]1C[N@H+](CCO)CCO1 ZINC001035343122 656759885 /nfs/dbraw/zinc/75/98/85/656759885.db2.gz SLVAWXYUBLCROQ-RYUDHWBXSA-N 1 2 287.360 -1.874 20 0 CAADLO CN1CCOC[C@H]1C(=O)NC[C@H]1C[N@@H+](CCO)CCO1 ZINC001035343122 656759891 /nfs/dbraw/zinc/75/98/91/656759891.db2.gz SLVAWXYUBLCROQ-RYUDHWBXSA-N 1 2 287.360 -1.874 20 0 CAADLO Cn1cnc(C(=O)NC[C@H]2C[N@H+](CCO)CCO2)c1 ZINC001035337488 656759922 /nfs/dbraw/zinc/75/99/22/656759922.db2.gz IOKYSXLBHKUUPG-JTQLQIEISA-N 1 2 268.317 -1.157 20 0 CAADLO Cn1cnc(C(=O)NC[C@H]2C[N@@H+](CCO)CCO2)c1 ZINC001035337488 656759928 /nfs/dbraw/zinc/75/99/28/656759928.db2.gz IOKYSXLBHKUUPG-JTQLQIEISA-N 1 2 268.317 -1.157 20 0 CAADLO O=C(NC[C@@H]1C[N@H+](CCO)CCO1)[C@H]1COC(=O)N1 ZINC001035353816 656761098 /nfs/dbraw/zinc/76/10/98/656761098.db2.gz FTSBXTXUJUFBIY-RKDXNWHRSA-N 1 2 273.289 -2.096 20 0 CAADLO O=C(NC[C@@H]1C[N@@H+](CCO)CCO1)[C@H]1COC(=O)N1 ZINC001035353816 656761101 /nfs/dbraw/zinc/76/11/01/656761101.db2.gz FTSBXTXUJUFBIY-RKDXNWHRSA-N 1 2 273.289 -2.096 20 0 CAADLO Cn1cnc(C(=O)NC[C@@H]2C[N@H+](CCCO)CCO2)n1 ZINC001035360269 656761205 /nfs/dbraw/zinc/76/12/05/656761205.db2.gz XYHJRUADFGXZGB-SNVBAGLBSA-N 1 2 283.332 -1.372 20 0 CAADLO Cn1cnc(C(=O)NC[C@@H]2C[N@@H+](CCCO)CCO2)n1 ZINC001035360269 656761209 /nfs/dbraw/zinc/76/12/09/656761209.db2.gz XYHJRUADFGXZGB-SNVBAGLBSA-N 1 2 283.332 -1.372 20 0 CAADLO COCC[N@@H+]1CCO[C@H](CNC(=O)C2CN(C(C)=O)C2)C1 ZINC001035354674 656761240 /nfs/dbraw/zinc/76/12/40/656761240.db2.gz VOTDWWRXFHCNLS-CYBMUJFWSA-N 1 2 299.371 -1.072 20 0 CAADLO COCC[N@H+]1CCO[C@H](CNC(=O)C2CN(C(C)=O)C2)C1 ZINC001035354674 656761245 /nfs/dbraw/zinc/76/12/45/656761245.db2.gz VOTDWWRXFHCNLS-CYBMUJFWSA-N 1 2 299.371 -1.072 20 0 CAADLO C[C@@H](O)C[N@@H+]1CCO[C@@H](CNC(=O)c2cn(C)nn2)C1 ZINC001035362057 656762121 /nfs/dbraw/zinc/76/21/21/656762121.db2.gz LJNALPMNXSNJRO-ZJUUUORDSA-N 1 2 283.332 -1.374 20 0 CAADLO C[C@@H](O)C[N@H+]1CCO[C@@H](CNC(=O)c2cn(C)nn2)C1 ZINC001035362057 656762123 /nfs/dbraw/zinc/76/21/23/656762123.db2.gz LJNALPMNXSNJRO-ZJUUUORDSA-N 1 2 283.332 -1.374 20 0 CAADLO CN1C[C@H](C(=O)NC[C@H]2C[N@H+](CCO)CCO2)CC1=O ZINC001035388383 656762220 /nfs/dbraw/zinc/76/22/20/656762220.db2.gz FKYCUQWJUKRLCR-MNOVXSKESA-N 1 2 285.344 -1.726 20 0 CAADLO CN1C[C@H](C(=O)NC[C@H]2C[N@@H+](CCO)CCO2)CC1=O ZINC001035388383 656762223 /nfs/dbraw/zinc/76/22/23/656762223.db2.gz FKYCUQWJUKRLCR-MNOVXSKESA-N 1 2 285.344 -1.726 20 0 CAADLO CN1CC[C@@H](C(=O)NC[C@@H]2C[N@H+](CCO)CCO2)CC1=O ZINC001035420613 656762289 /nfs/dbraw/zinc/76/22/89/656762289.db2.gz OVBBFGPHQOQBLN-VXGBXAGGSA-N 1 2 299.371 -1.336 20 0 CAADLO CN1CC[C@@H](C(=O)NC[C@@H]2C[N@@H+](CCO)CCO2)CC1=O ZINC001035420613 656762292 /nfs/dbraw/zinc/76/22/92/656762292.db2.gz OVBBFGPHQOQBLN-VXGBXAGGSA-N 1 2 299.371 -1.336 20 0 CAADLO O=C(NC[C@@H]1C[N@H+](CCO)CCO1)[C@]12C[C@H]1COC2 ZINC001035380123 656762439 /nfs/dbraw/zinc/76/24/39/656762439.db2.gz USJSNFWFXKXWED-LOWVWBTDSA-N 1 2 270.329 -1.168 20 0 CAADLO O=C(NC[C@@H]1C[N@@H+](CCO)CCO1)[C@]12C[C@H]1COC2 ZINC001035380123 656762448 /nfs/dbraw/zinc/76/24/48/656762448.db2.gz USJSNFWFXKXWED-LOWVWBTDSA-N 1 2 270.329 -1.168 20 0 CAADLO CN1CC[C@H](C(=O)NC[C@@H]2C[N@H+](CCO)CCO2)CC1=O ZINC001035420608 656762482 /nfs/dbraw/zinc/76/24/82/656762482.db2.gz OVBBFGPHQOQBLN-NWDGAFQWSA-N 1 2 299.371 -1.336 20 0 CAADLO CN1CC[C@H](C(=O)NC[C@@H]2C[N@@H+](CCO)CCO2)CC1=O ZINC001035420608 656762484 /nfs/dbraw/zinc/76/24/84/656762484.db2.gz OVBBFGPHQOQBLN-NWDGAFQWSA-N 1 2 299.371 -1.336 20 0 CAADLO CN1CC[C@H](C(=O)NC[C@H]2C[N@H+](CCO)CCO2)CC1=O ZINC001035420611 656762569 /nfs/dbraw/zinc/76/25/69/656762569.db2.gz OVBBFGPHQOQBLN-RYUDHWBXSA-N 1 2 299.371 -1.336 20 0 CAADLO CN1CC[C@H](C(=O)NC[C@H]2C[N@@H+](CCO)CCO2)CC1=O ZINC001035420611 656762574 /nfs/dbraw/zinc/76/25/74/656762574.db2.gz OVBBFGPHQOQBLN-RYUDHWBXSA-N 1 2 299.371 -1.336 20 0 CAADLO O=C(NC[C@@H]1C[N@H+](CCO)CCO1)c1cc2n(n1)CCO2 ZINC001035398709 656762955 /nfs/dbraw/zinc/76/29/55/656762955.db2.gz NPPLAFYRCPVJHF-SNVBAGLBSA-N 1 2 296.327 -1.302 20 0 CAADLO O=C(NC[C@@H]1C[N@@H+](CCO)CCO1)c1cc2n(n1)CCO2 ZINC001035398709 656762960 /nfs/dbraw/zinc/76/29/60/656762960.db2.gz NPPLAFYRCPVJHF-SNVBAGLBSA-N 1 2 296.327 -1.302 20 0 CAADLO Cn1cc(C(=O)NC[C@H]2C[N@H+](CCCO)CCO2)nn1 ZINC001035364734 656762994 /nfs/dbraw/zinc/76/29/94/656762994.db2.gz ZVTYKULSMGVTLW-JTQLQIEISA-N 1 2 283.332 -1.372 20 0 CAADLO Cn1cc(C(=O)NC[C@H]2C[N@@H+](CCCO)CCO2)nn1 ZINC001035364734 656763001 /nfs/dbraw/zinc/76/30/01/656763001.db2.gz ZVTYKULSMGVTLW-JTQLQIEISA-N 1 2 283.332 -1.372 20 0 CAADLO CN1CC[C@@H](C(=O)NC[C@H]2C[N@H+](CCO)CCO2)CC1=O ZINC001035420606 656763104 /nfs/dbraw/zinc/76/31/04/656763104.db2.gz OVBBFGPHQOQBLN-NEPJUHHUSA-N 1 2 299.371 -1.336 20 0 CAADLO CN1CC[C@@H](C(=O)NC[C@H]2C[N@@H+](CCO)CCO2)CC1=O ZINC001035420606 656763107 /nfs/dbraw/zinc/76/31/07/656763107.db2.gz OVBBFGPHQOQBLN-NEPJUHHUSA-N 1 2 299.371 -1.336 20 0 CAADLO C[C@H](O)C[N@@H+]1CCO[C@@H](CNC(=O)c2ncn(C)n2)C1 ZINC001035363533 656763121 /nfs/dbraw/zinc/76/31/21/656763121.db2.gz TWLDKYAMMIDLPS-UWVGGRQHSA-N 1 2 283.332 -1.374 20 0 CAADLO C[C@H](O)C[N@H+]1CCO[C@@H](CNC(=O)c2ncn(C)n2)C1 ZINC001035363533 656763125 /nfs/dbraw/zinc/76/31/25/656763125.db2.gz TWLDKYAMMIDLPS-UWVGGRQHSA-N 1 2 283.332 -1.374 20 0 CAADLO O=C(NC[C@H]1C[N@H+](CCO)CCO1)[C@@H]1CCCNC1=O ZINC001035411042 656763602 /nfs/dbraw/zinc/76/36/02/656763602.db2.gz ZIJVSOCQUQBYGG-WDEREUQCSA-N 1 2 285.344 -1.678 20 0 CAADLO O=C(NC[C@H]1C[N@@H+](CCO)CCO1)[C@@H]1CCCNC1=O ZINC001035411042 656763609 /nfs/dbraw/zinc/76/36/09/656763609.db2.gz ZIJVSOCQUQBYGG-WDEREUQCSA-N 1 2 285.344 -1.678 20 0 CAADLO Cn1cc(C(=O)NC[C@H]2C[N@H+](CCO)CCO2)ccc1=O ZINC001035427478 656764237 /nfs/dbraw/zinc/76/42/37/656764237.db2.gz JPHPBCIMAZNGHN-LBPRGKRZSA-N 1 2 295.339 -1.192 20 0 CAADLO Cn1cc(C(=O)NC[C@H]2C[N@@H+](CCO)CCO2)ccc1=O ZINC001035427478 656764244 /nfs/dbraw/zinc/76/42/44/656764244.db2.gz JPHPBCIMAZNGHN-LBPRGKRZSA-N 1 2 295.339 -1.192 20 0 CAADLO O=C(NC[C@H]1C[N@H+](CCO)CCO1)c1cn[nH]c(=O)c1 ZINC001035406308 656764325 /nfs/dbraw/zinc/76/43/25/656764325.db2.gz IBKVJBPVFODRRJ-JTQLQIEISA-N 1 2 282.300 -1.395 20 0 CAADLO O=C(NC[C@H]1C[N@@H+](CCO)CCO1)c1cn[nH]c(=O)c1 ZINC001035406308 656764329 /nfs/dbraw/zinc/76/43/29/656764329.db2.gz IBKVJBPVFODRRJ-JTQLQIEISA-N 1 2 282.300 -1.395 20 0 CAADLO C[C@@H]1OCCO[C@@H]1C(=O)NC[C@H]1C[N@H+](CCO)CCO1 ZINC001035404865 656764759 /nfs/dbraw/zinc/76/47/59/656764759.db2.gz QYONWTBCEZDLMH-SRVKXCTJSA-N 1 2 288.344 -1.400 20 0 CAADLO C[C@@H]1OCCO[C@@H]1C(=O)NC[C@H]1C[N@@H+](CCO)CCO1 ZINC001035404865 656764768 /nfs/dbraw/zinc/76/47/68/656764768.db2.gz QYONWTBCEZDLMH-SRVKXCTJSA-N 1 2 288.344 -1.400 20 0 CAADLO O=C(NC[C@H]1C[N@H+](CCO)CCO1)[C@H]1CCNC1=O ZINC001035471636 656765406 /nfs/dbraw/zinc/76/54/06/656765406.db2.gz UOYYJFSKVIYBOL-UWVGGRQHSA-N 1 2 271.317 -2.068 20 0 CAADLO O=C(NC[C@H]1C[N@@H+](CCO)CCO1)[C@H]1CCNC1=O ZINC001035471636 656765414 /nfs/dbraw/zinc/76/54/14/656765414.db2.gz UOYYJFSKVIYBOL-UWVGGRQHSA-N 1 2 271.317 -2.068 20 0 CAADLO O=C(NC[C@H]1C[N@H+](CCCO)CCO1)c1cn[nH]n1 ZINC001035430380 656765921 /nfs/dbraw/zinc/76/59/21/656765921.db2.gz OOUMITFEDXDMHH-VIFPVBQESA-N 1 2 269.305 -1.382 20 0 CAADLO O=C(NC[C@H]1C[N@@H+](CCCO)CCO1)c1cn[nH]n1 ZINC001035430380 656765929 /nfs/dbraw/zinc/76/59/29/656765929.db2.gz OOUMITFEDXDMHH-VIFPVBQESA-N 1 2 269.305 -1.382 20 0 CAADLO COc1cnc(C(=O)NC[C@H]2C[N@H+](CCO)CCO2)nc1 ZINC001035438431 656766016 /nfs/dbraw/zinc/76/60/16/656766016.db2.gz MEFSRMLLRMWHBA-NSHDSACASA-N 1 2 296.327 -1.092 20 0 CAADLO COc1cnc(C(=O)NC[C@H]2C[N@@H+](CCO)CCO2)nc1 ZINC001035438431 656766023 /nfs/dbraw/zinc/76/60/23/656766023.db2.gz MEFSRMLLRMWHBA-NSHDSACASA-N 1 2 296.327 -1.092 20 0 CAADLO O=C(NC[C@@H]1C[N@H+](CCO)CCO1)[C@H]1CCNC1=O ZINC001035471638 656766227 /nfs/dbraw/zinc/76/62/27/656766227.db2.gz UOYYJFSKVIYBOL-ZJUUUORDSA-N 1 2 271.317 -2.068 20 0 CAADLO O=C(NC[C@@H]1C[N@@H+](CCO)CCO1)[C@H]1CCNC1=O ZINC001035471638 656766237 /nfs/dbraw/zinc/76/62/37/656766237.db2.gz UOYYJFSKVIYBOL-ZJUUUORDSA-N 1 2 271.317 -2.068 20 0 CAADLO O=C(NC[C@H]1C[N@H+](CCO)CCO1)[C@@H]1CCNC1=O ZINC001035471637 656766743 /nfs/dbraw/zinc/76/67/43/656766743.db2.gz UOYYJFSKVIYBOL-VHSXEESVSA-N 1 2 271.317 -2.068 20 0 CAADLO O=C(NC[C@H]1C[N@@H+](CCO)CCO1)[C@@H]1CCNC1=O ZINC001035471637 656766747 /nfs/dbraw/zinc/76/67/47/656766747.db2.gz UOYYJFSKVIYBOL-VHSXEESVSA-N 1 2 271.317 -2.068 20 0 CAADLO NC(=O)c1ccc(C(=O)NC[C@@H]2C[N@H+](CCO)CCO2)o1 ZINC001035442129 656767125 /nfs/dbraw/zinc/76/71/25/656767125.db2.gz NKILXIPSBNIJBD-SECBINFHSA-N 1 2 297.311 -1.199 20 0 CAADLO NC(=O)c1ccc(C(=O)NC[C@@H]2C[N@@H+](CCO)CCO2)o1 ZINC001035442129 656767130 /nfs/dbraw/zinc/76/71/30/656767130.db2.gz NKILXIPSBNIJBD-SECBINFHSA-N 1 2 297.311 -1.199 20 0 CAADLO CO[C@H](C)C[N@@H+]1CCO[C@@H](CNC(=O)c2nnn(C)n2)C1 ZINC001035474719 656767842 /nfs/dbraw/zinc/76/78/42/656767842.db2.gz JNOUUKVRXWUBSL-ZJUUUORDSA-N 1 2 298.347 -1.324 20 0 CAADLO CO[C@H](C)C[N@H+]1CCO[C@@H](CNC(=O)c2nnn(C)n2)C1 ZINC001035474719 656767845 /nfs/dbraw/zinc/76/78/45/656767845.db2.gz JNOUUKVRXWUBSL-ZJUUUORDSA-N 1 2 298.347 -1.324 20 0 CAADLO Cn1nnc(C(=O)NC[C@H]2C[N@H+](CCO)CCO2)n1 ZINC001035475386 656767887 /nfs/dbraw/zinc/76/78/87/656767887.db2.gz OPVFYSLVEAUPII-QMMMGPOBSA-N 1 2 270.293 -2.367 20 0 CAADLO Cn1nnc(C(=O)NC[C@H]2C[N@@H+](CCO)CCO2)n1 ZINC001035475386 656767890 /nfs/dbraw/zinc/76/78/90/656767890.db2.gz OPVFYSLVEAUPII-QMMMGPOBSA-N 1 2 270.293 -2.367 20 0 CAADLO COC[C@H](C)[N@@H+]1CCO[C@@H](CNC(=O)c2nnn(C)n2)C1 ZINC001035475400 656768003 /nfs/dbraw/zinc/76/80/03/656768003.db2.gz OYYMZRRWAFPVOH-UWVGGRQHSA-N 1 2 298.347 -1.324 20 0 CAADLO COC[C@H](C)[N@H+]1CCO[C@@H](CNC(=O)c2nnn(C)n2)C1 ZINC001035475400 656768009 /nfs/dbraw/zinc/76/80/09/656768009.db2.gz OYYMZRRWAFPVOH-UWVGGRQHSA-N 1 2 298.347 -1.324 20 0 CAADLO Cn1nnc(C(=O)NC[C@@H]2C[N@H+](CCCO)CCO2)n1 ZINC001035473988 656768052 /nfs/dbraw/zinc/76/80/52/656768052.db2.gz AHMKOXGXSZRNIN-SECBINFHSA-N 1 2 284.320 -1.977 20 0 CAADLO Cn1nnc(C(=O)NC[C@@H]2C[N@@H+](CCCO)CCO2)n1 ZINC001035473988 656768056 /nfs/dbraw/zinc/76/80/56/656768056.db2.gz AHMKOXGXSZRNIN-SECBINFHSA-N 1 2 284.320 -1.977 20 0 CAADLO C[C@H](O)C[N@@H+]1CCO[C@@H](CNC(=O)c2nnn(C)n2)C1 ZINC001035475569 656768126 /nfs/dbraw/zinc/76/81/26/656768126.db2.gz QQFVMNKMPPNYFP-IUCAKERBSA-N 1 2 284.320 -1.979 20 0 CAADLO C[C@H](O)C[N@H+]1CCO[C@@H](CNC(=O)c2nnn(C)n2)C1 ZINC001035475569 656768134 /nfs/dbraw/zinc/76/81/34/656768134.db2.gz QQFVMNKMPPNYFP-IUCAKERBSA-N 1 2 284.320 -1.979 20 0 CAADLO COCC[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CCN(C)C2=O)C1 ZINC001035475013 656768235 /nfs/dbraw/zinc/76/82/35/656768235.db2.gz AFJROHFTVNXYIK-NEPJUHHUSA-N 1 2 299.371 -1.072 20 0 CAADLO COCC[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CCN(C)C2=O)C1 ZINC001035475013 656768246 /nfs/dbraw/zinc/76/82/46/656768246.db2.gz AFJROHFTVNXYIK-NEPJUHHUSA-N 1 2 299.371 -1.072 20 0 CAADLO COCC[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2CCN(C)C2=O)C1 ZINC001035475014 656768563 /nfs/dbraw/zinc/76/85/63/656768563.db2.gz AFJROHFTVNXYIK-NWDGAFQWSA-N 1 2 299.371 -1.072 20 0 CAADLO COCC[N@H+]1CCO[C@@H](CNC(=O)[C@H]2CCN(C)C2=O)C1 ZINC001035475014 656768568 /nfs/dbraw/zinc/76/85/68/656768568.db2.gz AFJROHFTVNXYIK-NWDGAFQWSA-N 1 2 299.371 -1.072 20 0 CAADLO O=C(NC[C@H]1C[N@H+](CCO)CCO1)[C@H]1[C@@H]2COC[C@@H]21 ZINC001035474397 656768638 /nfs/dbraw/zinc/76/86/38/656768638.db2.gz GVFGSEYLKBKDLM-NNYUYHANSA-N 1 2 270.329 -1.312 20 0 CAADLO O=C(NC[C@H]1C[N@@H+](CCO)CCO1)[C@H]1[C@@H]2COC[C@@H]21 ZINC001035474397 656768646 /nfs/dbraw/zinc/76/86/46/656768646.db2.gz GVFGSEYLKBKDLM-NNYUYHANSA-N 1 2 270.329 -1.312 20 0 CAADLO COC[C@H](C)[N@@H+]1CCO[C@H](CNC(=O)c2nnn(C)n2)C1 ZINC001035475401 656768753 /nfs/dbraw/zinc/76/87/53/656768753.db2.gz OYYMZRRWAFPVOH-VHSXEESVSA-N 1 2 298.347 -1.324 20 0 CAADLO COC[C@H](C)[N@H+]1CCO[C@H](CNC(=O)c2nnn(C)n2)C1 ZINC001035475401 656768757 /nfs/dbraw/zinc/76/87/57/656768757.db2.gz OYYMZRRWAFPVOH-VHSXEESVSA-N 1 2 298.347 -1.324 20 0 CAADLO COC[C@@H](C)[N@@H+]1CCO[C@H](CNC(=O)c2nnn(C)n2)C1 ZINC001035475399 656768780 /nfs/dbraw/zinc/76/87/80/656768780.db2.gz OYYMZRRWAFPVOH-NXEZZACHSA-N 1 2 298.347 -1.324 20 0 CAADLO COC[C@@H](C)[N@H+]1CCO[C@H](CNC(=O)c2nnn(C)n2)C1 ZINC001035475399 656768789 /nfs/dbraw/zinc/76/87/89/656768789.db2.gz OYYMZRRWAFPVOH-NXEZZACHSA-N 1 2 298.347 -1.324 20 0 CAADLO CN1CC[C@@H](C(=O)NC[C@H]2C[N@H+](CCO)CCO2)C1=O ZINC001035475238 656768891 /nfs/dbraw/zinc/76/88/91/656768891.db2.gz BWOXNUURZOFGBV-QWRGUYRKSA-N 1 2 285.344 -1.726 20 0 CAADLO CN1CC[C@@H](C(=O)NC[C@H]2C[N@@H+](CCO)CCO2)C1=O ZINC001035475238 656768898 /nfs/dbraw/zinc/76/88/98/656768898.db2.gz BWOXNUURZOFGBV-QWRGUYRKSA-N 1 2 285.344 -1.726 20 0 CAADLO Cn1nnc(C(=O)NC[C@H]2C[N@H+](CCCO)CCO2)n1 ZINC001035473997 656768940 /nfs/dbraw/zinc/76/89/40/656768940.db2.gz AHMKOXGXSZRNIN-VIFPVBQESA-N 1 2 284.320 -1.977 20 0 CAADLO Cn1nnc(C(=O)NC[C@H]2C[N@@H+](CCCO)CCO2)n1 ZINC001035473997 656768946 /nfs/dbraw/zinc/76/89/46/656768946.db2.gz AHMKOXGXSZRNIN-VIFPVBQESA-N 1 2 284.320 -1.977 20 0 CAADLO O=C(NC[C@@H]1C[N@H+](CCO)CCO1)[C@H]1CCNC(=O)CC1 ZINC001035462146 656769295 /nfs/dbraw/zinc/76/92/95/656769295.db2.gz VNZBCTGEHBFHHH-VXGBXAGGSA-N 1 2 299.371 -1.288 20 0 CAADLO O=C(NC[C@@H]1C[N@@H+](CCO)CCO1)[C@H]1CCNC(=O)CC1 ZINC001035462146 656769299 /nfs/dbraw/zinc/76/92/99/656769299.db2.gz VNZBCTGEHBFHHH-VXGBXAGGSA-N 1 2 299.371 -1.288 20 0 CAADLO O=C(NC[C@@H]1C[N@H+](CCO)CCO1)c1csnn1 ZINC001035459836 656769903 /nfs/dbraw/zinc/76/99/03/656769903.db2.gz GEZSZDRBDGDNGL-MRVPVSSYSA-N 1 2 272.330 -1.039 20 0 CAADLO O=C(NC[C@@H]1C[N@@H+](CCO)CCO1)c1csnn1 ZINC001035459836 656769908 /nfs/dbraw/zinc/76/99/08/656769908.db2.gz GEZSZDRBDGDNGL-MRVPVSSYSA-N 1 2 272.330 -1.039 20 0 CAADLO Cc1nc[nH]c(=O)c1C(=O)NC[C@H]1C[N@H+](CCO)CCO1 ZINC001035482855 656769922 /nfs/dbraw/zinc/76/99/22/656769922.db2.gz ANXMDQQJEMQHOB-JTQLQIEISA-N 1 2 296.327 -1.086 20 0 CAADLO Cc1nc[nH]c(=O)c1C(=O)NC[C@H]1C[N@@H+](CCO)CCO1 ZINC001035482855 656769928 /nfs/dbraw/zinc/76/99/28/656769928.db2.gz ANXMDQQJEMQHOB-JTQLQIEISA-N 1 2 296.327 -1.086 20 0 CAADLO CN1C[C@@H](C(=O)NC[C@@H]2C[N@H+](CCO)CCO2)NC1=O ZINC001035465769 656770073 /nfs/dbraw/zinc/77/00/73/656770073.db2.gz BDJJRLGHGQEGSJ-ZJUUUORDSA-N 1 2 286.332 -2.181 20 0 CAADLO CN1C[C@@H](C(=O)NC[C@@H]2C[N@@H+](CCO)CCO2)NC1=O ZINC001035465769 656770076 /nfs/dbraw/zinc/77/00/76/656770076.db2.gz BDJJRLGHGQEGSJ-ZJUUUORDSA-N 1 2 286.332 -2.181 20 0 CAADLO Cc1nn[nH]c1C(=O)NC[C@H]1C[N@H+](CCO)CCO1 ZINC001035469795 656771066 /nfs/dbraw/zinc/77/10/66/656771066.db2.gz HFAYJLFQVUTFQP-VIFPVBQESA-N 1 2 269.305 -1.464 20 0 CAADLO Cc1nn[nH]c1C(=O)NC[C@H]1C[N@@H+](CCO)CCO1 ZINC001035469795 656771076 /nfs/dbraw/zinc/77/10/76/656771076.db2.gz HFAYJLFQVUTFQP-VIFPVBQESA-N 1 2 269.305 -1.464 20 0 CAADLO COCC[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001035500282 656771650 /nfs/dbraw/zinc/77/16/50/656771650.db2.gz GDWWYNYKGCEVDY-UWVGGRQHSA-N 1 2 286.332 -1.869 20 0 CAADLO COCC[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001035500282 656771657 /nfs/dbraw/zinc/77/16/57/656771657.db2.gz GDWWYNYKGCEVDY-UWVGGRQHSA-N 1 2 286.332 -1.869 20 0 CAADLO O=C(NC[C@@H]1C[N@H+](CCO)CCO1)[C@@H]1CCCCC(=O)N1 ZINC001035511251 656772385 /nfs/dbraw/zinc/77/23/85/656772385.db2.gz JWQLSTNZAZYZPX-NEPJUHHUSA-N 1 2 299.371 -1.146 20 0 CAADLO O=C(NC[C@@H]1C[N@@H+](CCO)CCO1)[C@@H]1CCCCC(=O)N1 ZINC001035511251 656772393 /nfs/dbraw/zinc/77/23/93/656772393.db2.gz JWQLSTNZAZYZPX-NEPJUHHUSA-N 1 2 299.371 -1.146 20 0 CAADLO O=C(NC[C@@H]1C[N@H+](CCO)CCO1)c1n[nH]cc1F ZINC001035505025 656772551 /nfs/dbraw/zinc/77/25/51/656772551.db2.gz YIZFTGAGDVJYJV-MRVPVSSYSA-N 1 2 272.280 -1.028 20 0 CAADLO O=C(NC[C@@H]1C[N@@H+](CCO)CCO1)c1n[nH]cc1F ZINC001035505025 656772555 /nfs/dbraw/zinc/77/25/55/656772555.db2.gz YIZFTGAGDVJYJV-MRVPVSSYSA-N 1 2 272.280 -1.028 20 0 CAADLO CCN(CC(=O)NC)C(=O)[C@@H](C)N1CC[NH2+]CC1=O ZINC000705723787 656772961 /nfs/dbraw/zinc/77/29/61/656772961.db2.gz YOIYZZCPPFKULJ-SECBINFHSA-N 1 2 270.333 -1.599 20 0 CAADLO C[C@@H](C(=O)NC[C@@H]1COCCO1)N1CC[NH2+]CC1=O ZINC000705736536 656773081 /nfs/dbraw/zinc/77/30/81/656773081.db2.gz OCZWBVBGPNAGAY-VHSXEESVSA-N 1 2 271.317 -1.662 20 0 CAADLO Cn1ncc(C(=O)NC[C@H]2C[N@H+](CCCO)CCO2)n1 ZINC001035541759 656773350 /nfs/dbraw/zinc/77/33/50/656773350.db2.gz LJIHGVSHZIKREF-JTQLQIEISA-N 1 2 283.332 -1.372 20 0 CAADLO Cn1ncc(C(=O)NC[C@H]2C[N@@H+](CCCO)CCO2)n1 ZINC001035541759 656773358 /nfs/dbraw/zinc/77/33/58/656773358.db2.gz LJIHGVSHZIKREF-JTQLQIEISA-N 1 2 283.332 -1.372 20 0 CAADLO C[C@H](C(=O)N1CCNC(=O)C1(C)C)N1CC[NH2+]CC1=O ZINC000705710193 656773402 /nfs/dbraw/zinc/77/34/02/656773402.db2.gz HNUJGDIUDUEUQT-SECBINFHSA-N 1 2 282.344 -1.456 20 0 CAADLO CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)NC[C@@H]1C[N@H+](CCO)CCO1 ZINC001035515632 656773415 /nfs/dbraw/zinc/77/34/15/656773415.db2.gz HVVOXVFYNHSROG-GRYCIOLGSA-N 1 2 299.371 -1.480 20 0 CAADLO CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)NC[C@@H]1C[N@@H+](CCO)CCO1 ZINC001035515632 656773421 /nfs/dbraw/zinc/77/34/21/656773421.db2.gz HVVOXVFYNHSROG-GRYCIOLGSA-N 1 2 299.371 -1.480 20 0 CAADLO COc1cncc(C(=O)NC[C@@H]2C[N@H+](CCO)CCO2)n1 ZINC001035535906 656773765 /nfs/dbraw/zinc/77/37/65/656773765.db2.gz IPUZNXFJECLNBW-SNVBAGLBSA-N 1 2 296.327 -1.092 20 0 CAADLO COc1cncc(C(=O)NC[C@@H]2C[N@@H+](CCO)CCO2)n1 ZINC001035535906 656773768 /nfs/dbraw/zinc/77/37/68/656773768.db2.gz IPUZNXFJECLNBW-SNVBAGLBSA-N 1 2 296.327 -1.092 20 0 CAADLO COCC[N@@H+]1CCO[C@H](CNC(=O)c2c[nH]c(=O)cn2)C1 ZINC001035491766 656774069 /nfs/dbraw/zinc/77/40/69/656774069.db2.gz YZCXWCBSSLQPEZ-SNVBAGLBSA-N 1 2 296.327 -1.153 20 0 CAADLO COCC[N@H+]1CCO[C@H](CNC(=O)c2c[nH]c(=O)cn2)C1 ZINC001035491766 656774074 /nfs/dbraw/zinc/77/40/74/656774074.db2.gz YZCXWCBSSLQPEZ-SNVBAGLBSA-N 1 2 296.327 -1.153 20 0 CAADLO Cn1ncc(C(=O)NC[C@@H]2C[N@H+](CCCO)CCO2)n1 ZINC001035541760 656774125 /nfs/dbraw/zinc/77/41/25/656774125.db2.gz LJIHGVSHZIKREF-SNVBAGLBSA-N 1 2 283.332 -1.372 20 0 CAADLO Cn1ncc(C(=O)NC[C@@H]2C[N@@H+](CCCO)CCO2)n1 ZINC001035541760 656774135 /nfs/dbraw/zinc/77/41/35/656774135.db2.gz LJIHGVSHZIKREF-SNVBAGLBSA-N 1 2 283.332 -1.372 20 0 CAADLO C[C@H](C(=O)N1CCCNC(=O)C1)N1CC[NH2+]CC1=O ZINC000705776792 656774729 /nfs/dbraw/zinc/77/47/29/656774729.db2.gz ZOAGRHFONHJTHO-SECBINFHSA-N 1 2 268.317 -1.845 20 0 CAADLO CCS(=O)(=O)CCNC(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000705766592 656774983 /nfs/dbraw/zinc/77/49/83/656774983.db2.gz IHGPKULYJNSORW-VIFPVBQESA-N 1 2 291.373 -1.642 20 0 CAADLO COc1ccc(C(=O)NC[C@H]2C[N@H+](CCO)CCO2)nn1 ZINC001035570777 656775096 /nfs/dbraw/zinc/77/50/96/656775096.db2.gz RSGIBJWEALWVRR-JTQLQIEISA-N 1 2 296.327 -1.092 20 0 CAADLO COc1ccc(C(=O)NC[C@H]2C[N@@H+](CCO)CCO2)nn1 ZINC001035570777 656775100 /nfs/dbraw/zinc/77/51/00/656775100.db2.gz RSGIBJWEALWVRR-JTQLQIEISA-N 1 2 296.327 -1.092 20 0 CAADLO C[C@H](C(=O)NCc1ncccn1)N1CC[NH2+]CC1=O ZINC000705764874 656775142 /nfs/dbraw/zinc/77/51/42/656775142.db2.gz FQFQNVPHWDDYTE-SECBINFHSA-N 1 2 263.301 -1.087 20 0 CAADLO O=C(NC[C@@H]1C[N@H+](CCO)CCO1)c1cnon1 ZINC001035550661 656775368 /nfs/dbraw/zinc/77/53/68/656775368.db2.gz BEVBVFDCLGHFMN-MRVPVSSYSA-N 1 2 256.262 -1.508 20 0 CAADLO O=C(NC[C@@H]1C[N@@H+](CCO)CCO1)c1cnon1 ZINC001035550661 656775374 /nfs/dbraw/zinc/77/53/74/656775374.db2.gz BEVBVFDCLGHFMN-MRVPVSSYSA-N 1 2 256.262 -1.508 20 0 CAADLO C[C@H](C(=O)NCCn1cncn1)N1CC[NH2+]CC1=O ZINC000705741599 656775654 /nfs/dbraw/zinc/77/56/54/656775654.db2.gz WPGSSSBUZKFAOH-SECBINFHSA-N 1 2 266.305 -1.785 20 0 CAADLO O=C(NC[C@@H]1C[N@H+](CCCO)CCO1)c1cnon1 ZINC001035551797 656776058 /nfs/dbraw/zinc/77/60/58/656776058.db2.gz KDZMSYUNXNACLR-SECBINFHSA-N 1 2 270.289 -1.117 20 0 CAADLO O=C(NC[C@@H]1C[N@@H+](CCCO)CCO1)c1cnon1 ZINC001035551797 656776064 /nfs/dbraw/zinc/77/60/64/656776064.db2.gz KDZMSYUNXNACLR-SECBINFHSA-N 1 2 270.289 -1.117 20 0 CAADLO CN1C(=O)CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](CCO)CCO1 ZINC001035595482 656777123 /nfs/dbraw/zinc/77/71/23/656777123.db2.gz HQCBWIDOCAPUPY-NEPJUHHUSA-N 1 2 299.371 -1.193 20 0 CAADLO CN1C(=O)CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](CCO)CCO1 ZINC001035595482 656777132 /nfs/dbraw/zinc/77/71/32/656777132.db2.gz HQCBWIDOCAPUPY-NEPJUHHUSA-N 1 2 299.371 -1.193 20 0 CAADLO C[C@H](O)C[N@@H+]1CCO[C@@H](CNC(=O)c2nnc[nH]2)C1 ZINC001035554724 656777522 /nfs/dbraw/zinc/77/75/22/656777522.db2.gz HCLIVYFTTPYZDD-IUCAKERBSA-N 1 2 269.305 -1.384 20 0 CAADLO C[C@H](O)C[N@H+]1CCO[C@@H](CNC(=O)c2nnc[nH]2)C1 ZINC001035554724 656777542 /nfs/dbraw/zinc/77/75/42/656777542.db2.gz HCLIVYFTTPYZDD-IUCAKERBSA-N 1 2 269.305 -1.384 20 0 CAADLO O=C(NC[C@H]1C[N@H+](CCO)CCO1)c1cccnn1 ZINC001035558892 656778054 /nfs/dbraw/zinc/77/80/54/656778054.db2.gz FREDQZPHVYNILT-JTQLQIEISA-N 1 2 266.301 -1.101 20 0 CAADLO O=C(NC[C@H]1C[N@@H+](CCO)CCO1)c1cccnn1 ZINC001035558892 656778064 /nfs/dbraw/zinc/77/80/64/656778064.db2.gz FREDQZPHVYNILT-JTQLQIEISA-N 1 2 266.301 -1.101 20 0 CAADLO CN1C(=O)CCC[C@@H]1C(=O)NC[C@H]1C[N@H+](CCO)CCO1 ZINC001035595483 656778844 /nfs/dbraw/zinc/77/88/44/656778844.db2.gz HQCBWIDOCAPUPY-NWDGAFQWSA-N 1 2 299.371 -1.193 20 0 CAADLO CN1C(=O)CCC[C@@H]1C(=O)NC[C@H]1C[N@@H+](CCO)CCO1 ZINC001035595483 656778860 /nfs/dbraw/zinc/77/88/60/656778860.db2.gz HQCBWIDOCAPUPY-NWDGAFQWSA-N 1 2 299.371 -1.193 20 0 CAADLO CC(=O)N1CCC[C@H]1C(=O)NC[C@H]1C[N@H+](CCO)CCO1 ZINC001035587531 656779787 /nfs/dbraw/zinc/77/97/87/656779787.db2.gz CBAJEWTZYKIKKW-STQMWFEESA-N 1 2 299.371 -1.193 20 0 CAADLO CC(=O)N1CCC[C@H]1C(=O)NC[C@H]1C[N@@H+](CCO)CCO1 ZINC001035587531 656779798 /nfs/dbraw/zinc/77/97/98/656779798.db2.gz CBAJEWTZYKIKKW-STQMWFEESA-N 1 2 299.371 -1.193 20 0 CAADLO CS(=O)(=O)CC(=O)N1CCC2(C[NH+](CCO)C2)CC1 ZINC001035664352 656780039 /nfs/dbraw/zinc/78/00/39/656780039.db2.gz WYACNKLOCDSNHI-UHFFFAOYSA-N 1 2 290.385 -1.052 20 0 CAADLO CN1C[C@H](C(=O)NC[C@H]2C[N@H+](CCO)CCO2)CCC1=O ZINC001035616338 656780651 /nfs/dbraw/zinc/78/06/51/656780651.db2.gz HECFVVSOGRQSPC-NEPJUHHUSA-N 1 2 299.371 -1.336 20 0 CAADLO CN1C[C@H](C(=O)NC[C@H]2C[N@@H+](CCO)CCO2)CCC1=O ZINC001035616338 656780666 /nfs/dbraw/zinc/78/06/66/656780666.db2.gz HECFVVSOGRQSPC-NEPJUHHUSA-N 1 2 299.371 -1.336 20 0 CAADLO Cn1cccc(C(=O)NC[C@@H]2C[N@H+](CCO)CCO2)c1=O ZINC001035586135 656781010 /nfs/dbraw/zinc/78/10/10/656781010.db2.gz NZXZHYWMONFZBF-LLVKDONJSA-N 1 2 295.339 -1.192 20 0 CAADLO Cn1cccc(C(=O)NC[C@@H]2C[N@@H+](CCO)CCO2)c1=O ZINC001035586135 656781015 /nfs/dbraw/zinc/78/10/15/656781015.db2.gz NZXZHYWMONFZBF-LLVKDONJSA-N 1 2 295.339 -1.192 20 0 CAADLO NC(=O)C[NH+]1CC2(C1)CCN(C(=O)[C@@H]1COCCO1)CC2 ZINC001035656945 656781127 /nfs/dbraw/zinc/78/11/27/656781127.db2.gz YJDIEGJYJZOHEV-NSHDSACASA-N 1 2 297.355 -1.189 20 0 CAADLO Cn1cccc(C(=O)NC[C@H]2C[N@H+](CCO)CCO2)c1=O ZINC001035586136 656781759 /nfs/dbraw/zinc/78/17/59/656781759.db2.gz NZXZHYWMONFZBF-NSHDSACASA-N 1 2 295.339 -1.192 20 0 CAADLO Cn1cccc(C(=O)NC[C@H]2C[N@@H+](CCO)CCO2)c1=O ZINC001035586136 656781763 /nfs/dbraw/zinc/78/17/63/656781763.db2.gz NZXZHYWMONFZBF-NSHDSACASA-N 1 2 295.339 -1.192 20 0 CAADLO CN1C[C@H](C(=O)NC[C@@H]2C[N@H+](CCO)CCO2)CCC1=O ZINC001035616343 656781896 /nfs/dbraw/zinc/78/18/96/656781896.db2.gz HECFVVSOGRQSPC-VXGBXAGGSA-N 1 2 299.371 -1.336 20 0 CAADLO CN1C[C@H](C(=O)NC[C@@H]2C[N@@H+](CCO)CCO2)CCC1=O ZINC001035616343 656781906 /nfs/dbraw/zinc/78/19/06/656781906.db2.gz HECFVVSOGRQSPC-VXGBXAGGSA-N 1 2 299.371 -1.336 20 0 CAADLO NC(=O)CC(=O)N1CCC2(C[NH+](CC(N)=O)C2)CC1 ZINC001035676638 656782221 /nfs/dbraw/zinc/78/22/21/656782221.db2.gz ZQYKQYDODOXMIL-UHFFFAOYSA-N 1 2 268.317 -1.729 20 0 CAADLO CCNS(=O)(=O)CCNC(=O)CN1CC[NH2+]CC1=O ZINC000705924787 656782311 /nfs/dbraw/zinc/78/23/11/656782311.db2.gz YDOLLUIAKQKIOT-UHFFFAOYSA-N 1 2 292.361 -2.526 20 0 CAADLO Cn1cnc(C(=O)N2CCC3(C[NH+](CC(N)=O)C3)CC2)n1 ZINC001035699508 656782924 /nfs/dbraw/zinc/78/29/24/656782924.db2.gz NUZNJOBOQGFUIJ-UHFFFAOYSA-N 1 2 292.343 -1.162 20 0 CAADLO NC(=O)C[NH+]1CC2(C1)CCN(C(=O)[C@H]1CNC(=O)N1)CC2 ZINC001035782272 656783424 /nfs/dbraw/zinc/78/34/24/656783424.db2.gz PFUYJCXVLAWVEN-SECBINFHSA-N 1 2 295.343 -1.923 20 0 CAADLO Cn1nncc1C(=O)N1CCC2(C[NH+](CC(N)=O)C2)CC1 ZINC001035698190 656783597 /nfs/dbraw/zinc/78/35/97/656783597.db2.gz HBMXKZGECFPOGG-UHFFFAOYSA-N 1 2 292.343 -1.162 20 0 CAADLO NC(=O)C[NH+]1CC2(C1)CCN(C(=O)[C@H]1COC(=O)N1)CC2 ZINC001035694979 656784354 /nfs/dbraw/zinc/78/43/54/656784354.db2.gz IBCBUNPODJKXKI-SECBINFHSA-N 1 2 296.327 -1.496 20 0 CAADLO CCOC(=O)[C@H](C)NC(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000706661537 656785548 /nfs/dbraw/zinc/78/55/48/656785548.db2.gz KBUNUTUHBWQZSK-IUCAKERBSA-N 1 2 271.317 -1.126 20 0 CAADLO CC(C)OC(=O)CNC(=O)CN1CC[NH2+]CC1=O ZINC000706663294 656786014 /nfs/dbraw/zinc/78/60/14/656786014.db2.gz VSLFKULDJVMCSU-UHFFFAOYSA-N 1 2 257.290 -1.514 20 0 CAADLO CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)N1CC[NH2+]CC1=O ZINC000706661539 656786045 /nfs/dbraw/zinc/78/60/45/656786045.db2.gz KBUNUTUHBWQZSK-RKDXNWHRSA-N 1 2 271.317 -1.126 20 0 CAADLO C[C@@H]1CN(C(=O)Cc2ncn[nH]2)CC[C@H]1[NH2+]CC(N)=O ZINC001036249219 656789864 /nfs/dbraw/zinc/78/98/64/656789864.db2.gz FPWXBSWKQQIOBH-RKDXNWHRSA-N 1 2 280.332 -1.341 20 0 CAADLO Cn1cc(C(=O)N2CC[NH+](CCO)CC2)[nH]c1=O ZINC000708334253 656792558 /nfs/dbraw/zinc/79/25/58/656792558.db2.gz NQFTWQQVUGEEAE-UHFFFAOYSA-N 1 2 254.290 -1.124 20 0 CAADLO C[C@H]1CN(C(=O)C[N@H+](C)[C@@H]2COC[C@H]2O)CCO1 ZINC000709497909 656793497 /nfs/dbraw/zinc/79/34/97/656793497.db2.gz MWGOLLHMWOWSOW-HBNTYKKESA-N 1 2 258.318 -1.075 20 0 CAADLO C[C@H]1CN(C(=O)C[N@@H+](C)[C@@H]2COC[C@H]2O)CCO1 ZINC000709497909 656793503 /nfs/dbraw/zinc/79/35/03/656793503.db2.gz MWGOLLHMWOWSOW-HBNTYKKESA-N 1 2 258.318 -1.075 20 0 CAADLO C[N@@H+]1CCN(C(=O)[C@H]2CCCC(=O)N2)[C@H](CO)C1 ZINC000709693223 656793665 /nfs/dbraw/zinc/79/36/65/656793665.db2.gz KLVWKJJCGDJEQZ-VHSXEESVSA-N 1 2 255.318 -1.210 20 0 CAADLO C[N@H+]1CCN(C(=O)[C@H]2CCCC(=O)N2)[C@H](CO)C1 ZINC000709693223 656793673 /nfs/dbraw/zinc/79/36/73/656793673.db2.gz KLVWKJJCGDJEQZ-VHSXEESVSA-N 1 2 255.318 -1.210 20 0 CAADLO COC(=O)[C@@](C)(O)C[N@H+](C)CCS(C)(=O)=O ZINC000086854698 656799506 /nfs/dbraw/zinc/79/95/06/656799506.db2.gz WCCRPLMYSRRVAC-VIFPVBQESA-N 1 2 253.320 -1.113 20 0 CAADLO COC(=O)[C@@](C)(O)C[N@@H+](C)CCS(C)(=O)=O ZINC000086854698 656799511 /nfs/dbraw/zinc/79/95/11/656799511.db2.gz WCCRPLMYSRRVAC-VIFPVBQESA-N 1 2 253.320 -1.113 20 0 CAADLO CN(C(=O)C(N)=O)C1CC[NH+](Cc2cnn(C)n2)CC1 ZINC001005912842 656801121 /nfs/dbraw/zinc/80/11/21/656801121.db2.gz BPQPKKXTRRRLPU-UHFFFAOYSA-N 1 2 280.332 -1.277 20 0 CAADLO CN(C(=O)C(N)=O)C1CC[NH+](Cc2cnon2)CC1 ZINC001005915723 656801271 /nfs/dbraw/zinc/80/12/71/656801271.db2.gz XNTCYNCHOKYNHE-UHFFFAOYSA-N 1 2 267.289 -1.022 20 0 CAADLO O=C(Cn1cnnn1)N1CCO[C@H](C[NH+]2CCOCC2)C1 ZINC000870075798 656810212 /nfs/dbraw/zinc/81/02/12/656810212.db2.gz UPFFGNGPKKGIKI-LLVKDONJSA-N 1 2 296.331 -1.767 20 0 CAADLO O=C(Cn1cnnn1)N1CCO[C@@H](C[NH+]2CCOCC2)C1 ZINC000870075799 656810674 /nfs/dbraw/zinc/81/06/74/656810674.db2.gz UPFFGNGPKKGIKI-NSHDSACASA-N 1 2 296.331 -1.767 20 0 CAADLO CN(CC[NH2+]Cc1cnn(C)n1)CCOCCO ZINC000883347892 656814697 /nfs/dbraw/zinc/81/46/97/656814697.db2.gz BEWJQOBVVGOOTA-UHFFFAOYSA-N 1 2 257.338 -1.155 20 0 CAADLO CC[C@H](C[NH+]1CCOCC1)NC(=O)NC(CO)CO ZINC000925589480 656819779 /nfs/dbraw/zinc/81/97/79/656819779.db2.gz IGAWPNJOLGIWMQ-SNVBAGLBSA-N 1 2 275.349 -1.250 20 0 CAADLO CC[C@H](C[NH+]1CCOCC1)NC(=O)Cn1cnnn1 ZINC000928635499 656826525 /nfs/dbraw/zinc/82/65/25/656826525.db2.gz DMEHFFGMCFMZKC-SNVBAGLBSA-N 1 2 268.321 -1.100 20 0 CAADLO C[C@@H](C(=O)N1CCS(=O)(=O)C[C@@H]1CCO)[NH+](C)C ZINC000928507340 656826533 /nfs/dbraw/zinc/82/65/33/656826533.db2.gz XVLFOAIJHANFNS-UWVGGRQHSA-N 1 2 278.374 -1.056 20 0 CAADLO CC[C@H](C[NH+]1CCOCC1)NC(=O)CN1CCNC(=O)C1 ZINC000928634461 656826783 /nfs/dbraw/zinc/82/67/83/656826783.db2.gz CSMUGSRYDUZCPN-GFCCVEGCSA-N 1 2 298.387 -1.355 20 0 CAADLO CC[C@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC000928650536 656827771 /nfs/dbraw/zinc/82/77/71/656827771.db2.gz YRIOLUSCUHTPKO-ZJUUUORDSA-N 1 2 298.343 -1.189 20 0 CAADLO CC(C)NC(=O)C(=O)N1CC[NH+](C[C@@H](O)[C@H](C)O)CC1 ZINC000929101034 656828572 /nfs/dbraw/zinc/82/85/72/656828572.db2.gz WVUQCNKEHGLKQS-WDEREUQCSA-N 1 2 287.360 -1.603 20 0 CAADLO COC[C@H]1COCCN1C(=O)C(=O)NCCn1cc[nH+]c1 ZINC000929204051 656828942 /nfs/dbraw/zinc/82/89/42/656828942.db2.gz ZZUCXQBPOKEJTN-NSHDSACASA-N 1 2 296.327 -1.127 20 0 CAADLO CS(=O)(=O)N1CC[NH+](C[C@H](O)C2(O)CCC2)CC1 ZINC000929099181 656829026 /nfs/dbraw/zinc/82/90/26/656829026.db2.gz AWZCYCLGZHZNBE-JTQLQIEISA-N 1 2 278.374 -1.161 20 0 CAADLO C[C@H](O)[C@H](O)C[NH+]1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC000929280005 656829883 /nfs/dbraw/zinc/82/98/83/656829883.db2.gz YHWOLTHZBCYODM-GXSJLCMTSA-N 1 2 285.344 -1.849 20 0 CAADLO C[C@H](O)[C@H](O)C[NH+]1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC000929282576 656830336 /nfs/dbraw/zinc/83/03/36/656830336.db2.gz LEZVNZPMAMSSBJ-NWDGAFQWSA-N 1 2 299.371 -1.505 20 0 CAADLO Cn1cc(C2=NC[C@@H](C[N@H+](C)CC(N)=O)O2)cn1 ZINC000929262017 656830355 /nfs/dbraw/zinc/83/03/55/656830355.db2.gz KGOKQEOVQPWPAC-VIFPVBQESA-N 1 2 251.290 -1.017 20 0 CAADLO Cn1cc(C2=NC[C@@H](C[N@@H+](C)CC(N)=O)O2)cn1 ZINC000929262017 656830358 /nfs/dbraw/zinc/83/03/58/656830358.db2.gz KGOKQEOVQPWPAC-VIFPVBQESA-N 1 2 251.290 -1.017 20 0 CAADLO C[C@H](O)[C@@H](O)C[NH+]1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC000929282578 656830416 /nfs/dbraw/zinc/83/04/16/656830416.db2.gz LEZVNZPMAMSSBJ-RYUDHWBXSA-N 1 2 299.371 -1.505 20 0 CAADLO C[C@@H](NC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)C(N)=O ZINC000929566917 656830909 /nfs/dbraw/zinc/83/09/09/656830909.db2.gz HDIAVELZUCDOSM-MXWKQRLJSA-N 1 2 285.344 -1.144 20 0 CAADLO CON1CC[C@H]([N@@H+]2CC[C@H](NS(C)(=O)=O)C2)C1=O ZINC000929664417 656831006 /nfs/dbraw/zinc/83/10/06/656831006.db2.gz DAABPEANCVASDE-IUCAKERBSA-N 1 2 277.346 -1.228 20 0 CAADLO CON1CC[C@H]([N@H+]2CC[C@H](NS(C)(=O)=O)C2)C1=O ZINC000929664417 656831008 /nfs/dbraw/zinc/83/10/08/656831008.db2.gz DAABPEANCVASDE-IUCAKERBSA-N 1 2 277.346 -1.228 20 0 CAADLO NS(=O)(=O)N1CC[NH+](CCO[C@H]2CCOC2)CC1 ZINC000929616194 656831390 /nfs/dbraw/zinc/83/13/90/656831390.db2.gz WSHKRKOGRMZPPL-JTQLQIEISA-N 1 2 279.362 -1.387 20 0 CAADLO C[C@H](NC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)C(N)=O ZINC000929566912 656831633 /nfs/dbraw/zinc/83/16/33/656831633.db2.gz HDIAVELZUCDOSM-AXFHLTTASA-N 1 2 285.344 -1.144 20 0 CAADLO CON1CC[C@@H]([N@@H+]2CC[C@@H](NS(C)(=O)=O)C2)C1=O ZINC000929664418 656831736 /nfs/dbraw/zinc/83/17/36/656831736.db2.gz DAABPEANCVASDE-RKDXNWHRSA-N 1 2 277.346 -1.228 20 0 CAADLO CON1CC[C@@H]([N@H+]2CC[C@@H](NS(C)(=O)=O)C2)C1=O ZINC000929664418 656831739 /nfs/dbraw/zinc/83/17/39/656831739.db2.gz DAABPEANCVASDE-RKDXNWHRSA-N 1 2 277.346 -1.228 20 0 CAADLO O=C1NC[C@@H]2C[N@H+](C[C@@H]3C[C@@H]4COC[C@@H]4O3)CCN2C1=O ZINC000929844668 656833364 /nfs/dbraw/zinc/83/33/64/656833364.db2.gz SMZKZGPYOJNSLC-WYUUTHIRSA-N 1 2 295.339 -1.567 20 0 CAADLO O=C1NC[C@@H]2C[N@@H+](C[C@@H]3C[C@@H]4COC[C@@H]4O3)CCN2C1=O ZINC000929844668 656833366 /nfs/dbraw/zinc/83/33/66/656833366.db2.gz SMZKZGPYOJNSLC-WYUUTHIRSA-N 1 2 295.339 -1.567 20 0 CAADLO CCOC(=O)[C@@H]1C[C@H]1C[N@@H+]1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC000929845454 656833497 /nfs/dbraw/zinc/83/34/97/656833497.db2.gz XDKRVQCZCYUORU-HBNTYKKESA-N 1 2 295.339 -1.172 20 0 CAADLO CCOC(=O)[C@@H]1C[C@H]1C[N@H+]1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC000929845454 656833499 /nfs/dbraw/zinc/83/34/99/656833499.db2.gz XDKRVQCZCYUORU-HBNTYKKESA-N 1 2 295.339 -1.172 20 0 CAADLO O=C1NC[C@@H]2C[N@H+](C[C@@H]3C[C@@H]4COC[C@H]4O3)CCN2C1=O ZINC000929844666 656833830 /nfs/dbraw/zinc/83/38/30/656833830.db2.gz SMZKZGPYOJNSLC-WISYIIOYSA-N 1 2 295.339 -1.567 20 0 CAADLO O=C1NC[C@@H]2C[N@@H+](C[C@@H]3C[C@@H]4COC[C@H]4O3)CCN2C1=O ZINC000929844666 656833831 /nfs/dbraw/zinc/83/38/31/656833831.db2.gz SMZKZGPYOJNSLC-WISYIIOYSA-N 1 2 295.339 -1.567 20 0 CAADLO O=C1NC[C@@H]2C[N@H+](C[C@@H]3C[C@H]4COC[C@@H]4O3)CCN2C1=O ZINC000929844660 656834373 /nfs/dbraw/zinc/83/43/73/656834373.db2.gz SMZKZGPYOJNSLC-USZNOCQGSA-N 1 2 295.339 -1.567 20 0 CAADLO O=C1NC[C@@H]2C[N@@H+](C[C@@H]3C[C@H]4COC[C@@H]4O3)CCN2C1=O ZINC000929844660 656834378 /nfs/dbraw/zinc/83/43/78/656834378.db2.gz SMZKZGPYOJNSLC-USZNOCQGSA-N 1 2 295.339 -1.567 20 0 CAADLO Nc1nsc(N2CC[NH+](C[C@@H](O)CO)CC2)n1 ZINC000930022712 656835160 /nfs/dbraw/zinc/83/51/60/656835160.db2.gz LMUFVSAWVXKMQS-SSDOTTSWSA-N 1 2 259.335 -1.405 20 0 CAADLO CS(=O)(=O)N1CC(C[N@@H+]2CCOC[C@@H]2CCO)C1 ZINC000930121215 656835854 /nfs/dbraw/zinc/83/58/54/656835854.db2.gz RHPAUPIEEMNOKN-NSHDSACASA-N 1 2 278.374 -1.039 20 0 CAADLO CS(=O)(=O)N1CC(C[N@H+]2CCOC[C@@H]2CCO)C1 ZINC000930121215 656835858 /nfs/dbraw/zinc/83/58/58/656835858.db2.gz RHPAUPIEEMNOKN-NSHDSACASA-N 1 2 278.374 -1.039 20 0 CAADLO CNS(=O)(=O)[C@@H]1CC[N@@H+]([C@H]2CCN(OC)C2=O)C1 ZINC000930068940 656835928 /nfs/dbraw/zinc/83/59/28/656835928.db2.gz GQQSXANXDZTYRP-BDAKNGLRSA-N 1 2 277.346 -1.228 20 0 CAADLO CNS(=O)(=O)[C@@H]1CC[N@H+]([C@H]2CCN(OC)C2=O)C1 ZINC000930068940 656835930 /nfs/dbraw/zinc/83/59/30/656835930.db2.gz GQQSXANXDZTYRP-BDAKNGLRSA-N 1 2 277.346 -1.228 20 0 CAADLO COCC[N@H+](C[C@H](O)[C@H](C)O)[C@H]1CCS(=O)(=O)C1 ZINC000930107889 656836121 /nfs/dbraw/zinc/83/61/21/656836121.db2.gz CPGFMXVOOOSJPE-DCAQKATOSA-N 1 2 281.374 -1.136 20 0 CAADLO COCC[N@@H+](C[C@H](O)[C@H](C)O)[C@H]1CCS(=O)(=O)C1 ZINC000930107889 656836123 /nfs/dbraw/zinc/83/61/23/656836123.db2.gz CPGFMXVOOOSJPE-DCAQKATOSA-N 1 2 281.374 -1.136 20 0 CAADLO CNS(=O)(=O)[C@@H]1CC[N@@H+]([C@@H]2CCN(OC)C2=O)C1 ZINC000930068954 656836147 /nfs/dbraw/zinc/83/61/47/656836147.db2.gz GQQSXANXDZTYRP-RKDXNWHRSA-N 1 2 277.346 -1.228 20 0 CAADLO CNS(=O)(=O)[C@@H]1CC[N@H+]([C@@H]2CCN(OC)C2=O)C1 ZINC000930068954 656836148 /nfs/dbraw/zinc/83/61/48/656836148.db2.gz GQQSXANXDZTYRP-RKDXNWHRSA-N 1 2 277.346 -1.228 20 0 CAADLO CON1CC[C@H]([N@@H+]2CC[C@H](S(N)(=O)=O)C2)C1=O ZINC000930091884 656836169 /nfs/dbraw/zinc/83/61/69/656836169.db2.gz BSJVWMYASQOTCR-YUMQZZPRSA-N 1 2 263.319 -1.489 20 0 CAADLO CON1CC[C@H]([N@H+]2CC[C@H](S(N)(=O)=O)C2)C1=O ZINC000930091884 656836171 /nfs/dbraw/zinc/83/61/71/656836171.db2.gz BSJVWMYASQOTCR-YUMQZZPRSA-N 1 2 263.319 -1.489 20 0 CAADLO CC[S@](=O)CCNC(=O)C(=O)NC[C@H]1CC[N@@H+]1C ZINC000930096659 656836186 /nfs/dbraw/zinc/83/61/86/656836186.db2.gz INXRNPBNGCHXCH-LZVRBXCZSA-N 1 2 275.374 -1.309 20 0 CAADLO CC[S@](=O)CCNC(=O)C(=O)NC[C@H]1CC[N@H+]1C ZINC000930096659 656836190 /nfs/dbraw/zinc/83/61/90/656836190.db2.gz INXRNPBNGCHXCH-LZVRBXCZSA-N 1 2 275.374 -1.309 20 0 CAADLO COCC[N@H+](C[C@H](O)[C@@H](C)O)[C@@H]1CCS(=O)(=O)C1 ZINC000930107890 656836198 /nfs/dbraw/zinc/83/61/98/656836198.db2.gz CPGFMXVOOOSJPE-MXWKQRLJSA-N 1 2 281.374 -1.136 20 0 CAADLO COCC[N@@H+](C[C@H](O)[C@@H](C)O)[C@@H]1CCS(=O)(=O)C1 ZINC000930107890 656836200 /nfs/dbraw/zinc/83/62/00/656836200.db2.gz CPGFMXVOOOSJPE-MXWKQRLJSA-N 1 2 281.374 -1.136 20 0 CAADLO CS(=O)(=O)N1CC(C[N@@H+]2CCOC[C@H]2CCO)C1 ZINC000930121214 656836603 /nfs/dbraw/zinc/83/66/03/656836603.db2.gz RHPAUPIEEMNOKN-LLVKDONJSA-N 1 2 278.374 -1.039 20 0 CAADLO CS(=O)(=O)N1CC(C[N@H+]2CCOC[C@H]2CCO)C1 ZINC000930121214 656836605 /nfs/dbraw/zinc/83/66/05/656836605.db2.gz RHPAUPIEEMNOKN-LLVKDONJSA-N 1 2 278.374 -1.039 20 0 CAADLO O=C(CO)N1CC[NH+](CCO[C@@H]2CCOC2)CC1 ZINC000930103076 656836734 /nfs/dbraw/zinc/83/67/34/656836734.db2.gz NLMQIGGICOKTNP-LLVKDONJSA-N 1 2 258.318 -1.072 20 0 CAADLO CC(C)NS(=O)(=O)N1CC[NH+](C[C@H](O)CO)CC1 ZINC000930343154 656837084 /nfs/dbraw/zinc/83/70/84/656837084.db2.gz JPBBUVIFPLGBGD-JTQLQIEISA-N 1 2 281.378 -1.800 20 0 CAADLO CC(C)NS(=O)(=O)N1CC[NH+](C[C@H](O)[C@@H](C)O)CC1 ZINC000930345187 656837664 /nfs/dbraw/zinc/83/76/64/656837664.db2.gz VZCMNLAPYWPWCI-MNOVXSKESA-N 1 2 295.405 -1.412 20 0 CAADLO CC(C)NS(=O)(=O)N1CC[NH+](C[C@@H](O)CO)CC1 ZINC000930343155 656837796 /nfs/dbraw/zinc/83/77/96/656837796.db2.gz JPBBUVIFPLGBGD-SNVBAGLBSA-N 1 2 281.378 -1.800 20 0 CAADLO CNS(=O)(=O)N1CCN(CC[NH+]2CCOCC2)CC1 ZINC000930485456 656838689 /nfs/dbraw/zinc/83/86/89/656838689.db2.gz CAYASMUJODAFFV-UHFFFAOYSA-N 1 2 292.405 -1.600 20 0 CAADLO CNS(=O)(=O)N1CC[NH+](C[C@H](O)CO)CC1 ZINC000930487378 656839031 /nfs/dbraw/zinc/83/90/31/656839031.db2.gz UTEFWRPJBYSCJP-QMMMGPOBSA-N 1 2 253.324 -2.579 20 0 CAADLO CNS(=O)(=O)N1CC[NH+](CCO[C@H]2CCOC2)CC1 ZINC000930484452 656839075 /nfs/dbraw/zinc/83/90/75/656839075.db2.gz IANMXWOXGKANBQ-NSHDSACASA-N 1 2 293.389 -1.126 20 0 CAADLO C[C@@H]1C[N@H+](C[C@H](O)C2(O)CCOCC2)CC(=O)N1 ZINC000930640878 656839531 /nfs/dbraw/zinc/83/95/31/656839531.db2.gz POHBNWSQFQOTBE-ZJUUUORDSA-N 1 2 258.318 -1.291 20 0 CAADLO C[C@@H]1C[N@@H+](C[C@H](O)C2(O)CCOCC2)CC(=O)N1 ZINC000930640878 656839533 /nfs/dbraw/zinc/83/95/33/656839533.db2.gz POHBNWSQFQOTBE-ZJUUUORDSA-N 1 2 258.318 -1.291 20 0 CAADLO CON1CC[C@@H]([N@@H+]2CC[C@@H]3OCC(=O)N[C@H]3C2)C1=O ZINC000930679922 656840048 /nfs/dbraw/zinc/84/00/48/656840048.db2.gz RIICRRYPKXTTTD-AEJSXWLSSA-N 1 2 269.301 -1.262 20 0 CAADLO CON1CC[C@@H]([N@H+]2CC[C@@H]3OCC(=O)N[C@H]3C2)C1=O ZINC000930679922 656840051 /nfs/dbraw/zinc/84/00/51/656840051.db2.gz RIICRRYPKXTTTD-AEJSXWLSSA-N 1 2 269.301 -1.262 20 0 CAADLO C[N@@H+]1CC[C@H]1CNC(=O)C(=O)NCC1([S@@](C)=O)CC1 ZINC000930756589 656841686 /nfs/dbraw/zinc/84/16/86/656841686.db2.gz BLTPZBLQONBCKJ-ZRNGKTOUSA-N 1 2 287.385 -1.166 20 0 CAADLO C[N@H+]1CC[C@H]1CNC(=O)C(=O)NCC1([S@@](C)=O)CC1 ZINC000930756589 656841688 /nfs/dbraw/zinc/84/16/88/656841688.db2.gz BLTPZBLQONBCKJ-ZRNGKTOUSA-N 1 2 287.385 -1.166 20 0 CAADLO C[C@H](O)[C@H](O)C[NH+]1CCN(Cc2nnc[nH]2)CC1 ZINC000930859378 656841866 /nfs/dbraw/zinc/84/18/66/656841866.db2.gz OOLXAANXKBLKFY-VHSXEESVSA-N 1 2 255.322 -1.336 20 0 CAADLO C[C@@H](O)[C@H](O)C[NH+]1CCN(Cc2nnc[nH]2)CC1 ZINC000930859376 656842048 /nfs/dbraw/zinc/84/20/48/656842048.db2.gz OOLXAANXKBLKFY-NXEZZACHSA-N 1 2 255.322 -1.336 20 0 CAADLO C[C@@H](O)[C@@H](O)C[NH+]1CCN(Cc2nnc[nH]2)CC1 ZINC000930859379 656842306 /nfs/dbraw/zinc/84/23/06/656842306.db2.gz OOLXAANXKBLKFY-ZJUUUORDSA-N 1 2 255.322 -1.336 20 0 CAADLO C[N@@H+]1CC[C@H]1CNC(=O)C(=O)NCC1([S@](C)=O)CC1 ZINC000930756588 656842335 /nfs/dbraw/zinc/84/23/35/656842335.db2.gz BLTPZBLQONBCKJ-UGZDLDLSSA-N 1 2 287.385 -1.166 20 0 CAADLO C[N@H+]1CC[C@H]1CNC(=O)C(=O)NCC1([S@](C)=O)CC1 ZINC000930756588 656842337 /nfs/dbraw/zinc/84/23/37/656842337.db2.gz BLTPZBLQONBCKJ-UGZDLDLSSA-N 1 2 287.385 -1.166 20 0 CAADLO COC(OC)C(=O)N1CC[NH+](C[C@H](O)[C@H](C)O)CC1 ZINC000930956103 656842863 /nfs/dbraw/zinc/84/28/63/656842863.db2.gz AZGRRDWSVXNYJJ-UWVGGRQHSA-N 1 2 276.333 -1.509 20 0 CAADLO COC(OC)C(=O)N1CC[NH+](CCOCCO)CC1 ZINC000930958116 656843209 /nfs/dbraw/zinc/84/32/09/656843209.db2.gz SNJVZSWWRXMZNP-UHFFFAOYSA-N 1 2 276.333 -1.242 20 0 CAADLO C[C@H](O)[C@H](O)C[N@@H+]1CCN(S(C)(=O)=O)[C@H](C)C1 ZINC000931014176 656843228 /nfs/dbraw/zinc/84/32/28/656843228.db2.gz FSHASBDGSFTFAD-KXUCPTDWSA-N 1 2 266.363 -1.306 20 0 CAADLO C[C@H](O)[C@H](O)C[N@H+]1CCN(S(C)(=O)=O)[C@H](C)C1 ZINC000931014176 656843230 /nfs/dbraw/zinc/84/32/30/656843230.db2.gz FSHASBDGSFTFAD-KXUCPTDWSA-N 1 2 266.363 -1.306 20 0 CAADLO CNC(=O)NC[C@@H]1C[N@H+](C[C@H](O)[C@@H](C)O)CCO1 ZINC000931168282 656843554 /nfs/dbraw/zinc/84/35/54/656843554.db2.gz WWTZLFFXALPBFU-BBBLOLIVSA-N 1 2 261.322 -1.642 20 0 CAADLO CNC(=O)NC[C@@H]1C[N@@H+](C[C@H](O)[C@@H](C)O)CCO1 ZINC000931168282 656843558 /nfs/dbraw/zinc/84/35/58/656843558.db2.gz WWTZLFFXALPBFU-BBBLOLIVSA-N 1 2 261.322 -1.642 20 0 CAADLO CNC(=O)NC(=O)C[N@@H+]1CCc2c(=O)[nH]n(C)c2C1 ZINC000931199932 656844152 /nfs/dbraw/zinc/84/41/52/656844152.db2.gz MCLSVDIUKQBCRX-UHFFFAOYSA-N 1 2 267.289 -1.061 20 0 CAADLO CNC(=O)NC(=O)C[N@H+]1CCc2c(=O)[nH]n(C)c2C1 ZINC000931199932 656844153 /nfs/dbraw/zinc/84/41/53/656844153.db2.gz MCLSVDIUKQBCRX-UHFFFAOYSA-N 1 2 267.289 -1.061 20 0 CAADLO CC1(C)CC(=O)NCC[N@@H+]1CC(=O)N1CCNC(=O)C1 ZINC000931207732 656844840 /nfs/dbraw/zinc/84/48/40/656844840.db2.gz PVSZZJJBTCKXNN-UHFFFAOYSA-N 1 2 282.344 -1.455 20 0 CAADLO CC1(C)CC(=O)NCC[N@H+]1CC(=O)N1CCNC(=O)C1 ZINC000931207732 656844842 /nfs/dbraw/zinc/84/48/42/656844842.db2.gz PVSZZJJBTCKXNN-UHFFFAOYSA-N 1 2 282.344 -1.455 20 0 CAADLO C[C@H]1C[N@H+](CCNC(=O)C[C@@H]2CC(=O)NC2=O)CCO1 ZINC000931398673 656845287 /nfs/dbraw/zinc/84/52/87/656845287.db2.gz CDXFKGUFYWWVOP-VHSXEESVSA-N 1 2 283.328 -1.124 20 0 CAADLO C[C@H]1C[N@@H+](CCNC(=O)C[C@@H]2CC(=O)NC2=O)CCO1 ZINC000931398673 656845290 /nfs/dbraw/zinc/84/52/90/656845290.db2.gz CDXFKGUFYWWVOP-VHSXEESVSA-N 1 2 283.328 -1.124 20 0 CAADLO COCC[NH+]1CCN(C(=O)C(=O)N[C@H]2COC[C@H]2C)CC1 ZINC000932075099 656852897 /nfs/dbraw/zinc/85/28/97/656852897.db2.gz LQYRKHJNFMXVAU-NEPJUHHUSA-N 1 2 299.371 -1.072 20 0 CAADLO Nc1ccc(C[N@@H+]2CCN3[C@@H](CNS3(=O)=O)C2)cn1 ZINC000933091957 656856526 /nfs/dbraw/zinc/85/65/26/656856526.db2.gz DUAKAQUGSWCCQG-JTQLQIEISA-N 1 2 283.357 -1.002 20 0 CAADLO Nc1ccc(C[N@H+]2CCN3[C@@H](CNS3(=O)=O)C2)cn1 ZINC000933091957 656856529 /nfs/dbraw/zinc/85/65/29/656856529.db2.gz DUAKAQUGSWCCQG-JTQLQIEISA-N 1 2 283.357 -1.002 20 0 CAADLO Nc1ccc(C[N@@H+]2CCN3[C@H](CNS3(=O)=O)C2)cn1 ZINC000933091958 656857265 /nfs/dbraw/zinc/85/72/65/656857265.db2.gz DUAKAQUGSWCCQG-SNVBAGLBSA-N 1 2 283.357 -1.002 20 0 CAADLO Nc1ccc(C[N@H+]2CCN3[C@H](CNS3(=O)=O)C2)cn1 ZINC000933091958 656857266 /nfs/dbraw/zinc/85/72/66/656857266.db2.gz DUAKAQUGSWCCQG-SNVBAGLBSA-N 1 2 283.357 -1.002 20 0 CAADLO COC[C@H](C)NC(=O)NC(=O)C[N@@H+]1CC[C@H]1CO ZINC000934024724 656858839 /nfs/dbraw/zinc/85/88/39/656858839.db2.gz ARXSDQDXWRWGEV-IUCAKERBSA-N 1 2 259.306 -1.086 20 0 CAADLO COC[C@H](C)NC(=O)NC(=O)C[N@H+]1CC[C@H]1CO ZINC000934024724 656858843 /nfs/dbraw/zinc/85/88/43/656858843.db2.gz ARXSDQDXWRWGEV-IUCAKERBSA-N 1 2 259.306 -1.086 20 0 CAADLO O=C(C[N@@H+]1CCC[C@@H]1C1OCCO1)N1CCNC(=O)C1 ZINC000933907984 656858935 /nfs/dbraw/zinc/85/89/35/656858935.db2.gz UHCWRGXWYBGVAZ-SNVBAGLBSA-N 1 2 283.328 -1.218 20 0 CAADLO O=C(C[N@H+]1CCC[C@@H]1C1OCCO1)N1CCNC(=O)C1 ZINC000933907984 656858937 /nfs/dbraw/zinc/85/89/37/656858937.db2.gz UHCWRGXWYBGVAZ-SNVBAGLBSA-N 1 2 283.328 -1.218 20 0 CAADLO NC(=O)C(=O)NC1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC000947124363 656860125 /nfs/dbraw/zinc/86/01/25/656860125.db2.gz JRIDBWOXLQKIJR-UHFFFAOYSA-N 1 2 293.327 -1.065 20 0 CAADLO NC(=O)C(=O)NC1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC000947124363 656860127 /nfs/dbraw/zinc/86/01/27/656860127.db2.gz JRIDBWOXLQKIJR-UHFFFAOYSA-N 1 2 293.327 -1.065 20 0 CAADLO CC(=O)N1CCO[C@H](C(=O)NC[C@@H]2C[NH+]3CCN2CC3)C1 ZINC000935015138 656860936 /nfs/dbraw/zinc/86/09/36/656860936.db2.gz HVATZHMIWBHDMX-OLZOCXBDSA-N 1 2 296.371 -1.650 20 0 CAADLO CC(=O)N1CCO[C@@H](C(=O)NC[C@H]2C[NH+]3CCN2CC3)C1 ZINC000935015139 656861161 /nfs/dbraw/zinc/86/11/61/656861161.db2.gz HVATZHMIWBHDMX-QWHCGFSZSA-N 1 2 296.371 -1.650 20 0 CAADLO CC(=O)N1CCO[C@@H](C(=O)NC[C@@H]2C[NH+]3CCN2CC3)C1 ZINC000935015137 656861491 /nfs/dbraw/zinc/86/14/91/656861491.db2.gz HVATZHMIWBHDMX-CHWSQXEVSA-N 1 2 296.371 -1.650 20 0 CAADLO O=C(N[C@H]1CNC(=O)C1)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000935268290 656862030 /nfs/dbraw/zinc/86/20/30/656862030.db2.gz GSFDBDYYEXYRBF-UTUOFQBUSA-N 1 2 297.355 -1.129 20 0 CAADLO Cc1[nH+]c[nH]c1CC(=O)N1CCC(NC(=O)C(N)=O)CC1 ZINC000947656221 656868863 /nfs/dbraw/zinc/86/88/63/656868863.db2.gz OXFKMTNMJMNXJS-UHFFFAOYSA-N 1 2 293.327 -1.147 20 0 CAADLO C[C@@H]1C[C@@H](NC(=O)C(N)=O)CC[N@@H+]1Cc1ncnn1C ZINC000947670413 656868897 /nfs/dbraw/zinc/86/88/97/656868897.db2.gz DVMWAPVOKZAXHR-BDAKNGLRSA-N 1 2 280.332 -1.231 20 0 CAADLO C[C@@H]1C[C@@H](NC(=O)C(N)=O)CC[N@H+]1Cc1ncnn1C ZINC000947670413 656868899 /nfs/dbraw/zinc/86/88/99/656868899.db2.gz DVMWAPVOKZAXHR-BDAKNGLRSA-N 1 2 280.332 -1.231 20 0 CAADLO C[C@H]1C[C@H](NC(=O)C(N)=O)CC[N@@H+]1Cc1cn(C)nn1 ZINC000947675503 656868922 /nfs/dbraw/zinc/86/89/22/656868922.db2.gz IAVXRAULXMMENX-DTWKUNHWSA-N 1 2 280.332 -1.231 20 0 CAADLO C[C@H]1C[C@H](NC(=O)C(N)=O)CC[N@H+]1Cc1cn(C)nn1 ZINC000947675503 656868927 /nfs/dbraw/zinc/86/89/27/656868927.db2.gz IAVXRAULXMMENX-DTWKUNHWSA-N 1 2 280.332 -1.231 20 0 CAADLO C[C@H]1C[C@H](NC(=O)C(N)=O)CC[N@@H+]1Cc1cnn(C)n1 ZINC000947671553 656869189 /nfs/dbraw/zinc/86/91/89/656869189.db2.gz MLEMSXBCRNYUTE-DTWKUNHWSA-N 1 2 280.332 -1.231 20 0 CAADLO C[C@H]1C[C@H](NC(=O)C(N)=O)CC[N@H+]1Cc1cnn(C)n1 ZINC000947671553 656869193 /nfs/dbraw/zinc/86/91/93/656869193.db2.gz MLEMSXBCRNYUTE-DTWKUNHWSA-N 1 2 280.332 -1.231 20 0 CAADLO C[C@@H]1C[C@@H](NC(=O)C(N)=O)CC[N@@H+]1Cc1nncn1C ZINC000947667909 656869213 /nfs/dbraw/zinc/86/92/13/656869213.db2.gz UCQAABUIEXFXRX-BDAKNGLRSA-N 1 2 280.332 -1.231 20 0 CAADLO C[C@@H]1C[C@@H](NC(=O)C(N)=O)CC[N@H+]1Cc1nncn1C ZINC000947667909 656869219 /nfs/dbraw/zinc/86/92/19/656869219.db2.gz UCQAABUIEXFXRX-BDAKNGLRSA-N 1 2 280.332 -1.231 20 0 CAADLO C[C@H]1C[C@@H](NC(=O)c2nnc[nH]2)CC[N@@H+]1CC(N)=O ZINC000947828869 656869709 /nfs/dbraw/zinc/86/97/09/656869709.db2.gz JNGYLWUKTMZVRY-YUMQZZPRSA-N 1 2 266.305 -1.127 20 0 CAADLO C[C@H]1C[C@@H](NC(=O)c2nnc[nH]2)CC[N@H+]1CC(N)=O ZINC000947828869 656869711 /nfs/dbraw/zinc/86/97/11/656869711.db2.gz JNGYLWUKTMZVRY-YUMQZZPRSA-N 1 2 266.305 -1.127 20 0 CAADLO C[C@H]1C[C@@H](NC(=O)c2ncn[nH]2)CC[N@@H+]1CC(N)=O ZINC000947828869 656869713 /nfs/dbraw/zinc/86/97/13/656869713.db2.gz JNGYLWUKTMZVRY-YUMQZZPRSA-N 1 2 266.305 -1.127 20 0 CAADLO C[C@H]1C[C@@H](NC(=O)c2ncn[nH]2)CC[N@H+]1CC(N)=O ZINC000947828869 656869716 /nfs/dbraw/zinc/86/97/16/656869716.db2.gz JNGYLWUKTMZVRY-YUMQZZPRSA-N 1 2 266.305 -1.127 20 0 CAADLO C[C@H]1C[C@H](NC(=O)Cc2nnc[nH]2)CC[N@@H+]1CC(N)=O ZINC000947907778 656870449 /nfs/dbraw/zinc/87/04/49/656870449.db2.gz KJFCPVJROKAOIA-DTWKUNHWSA-N 1 2 280.332 -1.198 20 0 CAADLO C[C@H]1C[C@H](NC(=O)Cc2nnc[nH]2)CC[N@H+]1CC(N)=O ZINC000947907778 656870452 /nfs/dbraw/zinc/87/04/52/656870452.db2.gz KJFCPVJROKAOIA-DTWKUNHWSA-N 1 2 280.332 -1.198 20 0 CAADLO Cn1c[nH+]cc1CC(=O)NC1CCN(C(=O)C(N)=O)CC1 ZINC000948072167 656871834 /nfs/dbraw/zinc/87/18/34/656871834.db2.gz KZXQYUOYYUZOQX-UHFFFAOYSA-N 1 2 293.327 -1.445 20 0 CAADLO O=C([C@@H]1CCC2N=NC(=O)N2C1)N1CC[NH+](CCO)CC1 ZINC000948938978 656875315 /nfs/dbraw/zinc/87/53/15/656875315.db2.gz ARDAUXYWMVBNEF-SNVBAGLBSA-N 1 2 295.343 -1.317 20 0 CAADLO Cn1cnnc1C[N@H+](C)C[C@H]1CCCN(C(=O)C(N)=O)C1 ZINC001017195224 656876942 /nfs/dbraw/zinc/87/69/42/656876942.db2.gz SFKDGPSGGFVWLA-SNVBAGLBSA-N 1 2 294.359 -1.029 20 0 CAADLO Cn1cnnc1C[N@@H+](C)C[C@H]1CCCN(C(=O)C(N)=O)C1 ZINC001017195224 656876945 /nfs/dbraw/zinc/87/69/45/656876945.db2.gz SFKDGPSGGFVWLA-SNVBAGLBSA-N 1 2 294.359 -1.029 20 0 CAADLO Cn1nnc(C(=O)N2CC[NH+](CCn3cccn3)CC2)n1 ZINC000949722039 656879292 /nfs/dbraw/zinc/87/92/92/656879292.db2.gz XMBAQDWAJYPCCI-UHFFFAOYSA-N 1 2 290.331 -1.135 20 0 CAADLO Cn1ncnc1C[N@H+](C)C[C@H]1CCCN(C(=O)C(N)=O)C1 ZINC001017200871 656879447 /nfs/dbraw/zinc/87/94/47/656879447.db2.gz URIBVYBBNKAIAP-SNVBAGLBSA-N 1 2 294.359 -1.029 20 0 CAADLO Cn1ncnc1C[N@@H+](C)C[C@H]1CCCN(C(=O)C(N)=O)C1 ZINC001017200871 656879448 /nfs/dbraw/zinc/87/94/48/656879448.db2.gz URIBVYBBNKAIAP-SNVBAGLBSA-N 1 2 294.359 -1.029 20 0 CAADLO O=C([C@H]1CNC(=O)N1)N1CC[NH+](CCn2cncn2)CC1 ZINC000949947462 656880323 /nfs/dbraw/zinc/88/03/23/656880323.db2.gz HXSIXDRMFVBBBV-SNVBAGLBSA-N 1 2 293.331 -1.896 20 0 CAADLO Cn1c[nH+]cc1CN1CCN(C(=O)[C@H]2CNC(=O)N2)CC1 ZINC000949953861 656881014 /nfs/dbraw/zinc/88/10/14/656881014.db2.gz XMCRVZATNHQGDW-LLVKDONJSA-N 1 2 292.343 -1.254 20 0 CAADLO NC(=O)C(=O)N1CC[NH+](C[C@H](O)Cn2cccn2)CC1 ZINC000949990134 656881678 /nfs/dbraw/zinc/88/16/78/656881678.db2.gz PKPYTKGRVAOHCZ-JTQLQIEISA-N 1 2 281.316 -2.127 20 0 CAADLO NC(=O)C(=O)N1CC[NH+](C[C@@H](O)Cn2cccn2)CC1 ZINC000949990136 656882065 /nfs/dbraw/zinc/88/20/65/656882065.db2.gz PKPYTKGRVAOHCZ-SNVBAGLBSA-N 1 2 281.316 -2.127 20 0 CAADLO NC(=O)C(=O)N1CC[NH+](CCCN2CCCC2=O)CC1 ZINC000949989815 656882105 /nfs/dbraw/zinc/88/21/05/656882105.db2.gz KSGFUBSCLIVNLP-UHFFFAOYSA-N 1 2 282.344 -1.372 20 0 CAADLO NC(=O)CC(=O)N1CCC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000950261294 656883068 /nfs/dbraw/zinc/88/30/68/656883068.db2.gz ZRMYJIQTBBHUJQ-JTQLQIEISA-N 1 2 293.327 -1.134 20 0 CAADLO Cn1c[nH+]cc1CC(=O)N1CCC[C@H](NC(=O)C(N)=O)C1 ZINC000951412717 656887369 /nfs/dbraw/zinc/88/73/69/656887369.db2.gz BDJIMCYDGURZPW-VIFPVBQESA-N 1 2 293.327 -1.445 20 0 CAADLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCCN(C(=O)C(N)=O)C1 ZINC000951853946 656892047 /nfs/dbraw/zinc/89/20/47/656892047.db2.gz MFKZATYFWGHALJ-SECBINFHSA-N 1 2 293.327 -1.147 20 0 CAADLO NC(=O)C(=O)N[C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000952151318 656894528 /nfs/dbraw/zinc/89/45/28/656894528.db2.gz IKVJHFPEDDOAFM-MRVPVSSYSA-N 1 2 279.300 -1.455 20 0 CAADLO O=C(c1nc2ncccn2n1)N1CC[NH+](CCO)CC1 ZINC000952320657 656894598 /nfs/dbraw/zinc/89/45/98/656894598.db2.gz LCRUGNFDVODZFG-UHFFFAOYSA-N 1 2 276.300 -1.126 20 0 CAADLO C#CCN1CCN(C(=O)C[N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000081671214 656895046 /nfs/dbraw/zinc/89/50/46/656895046.db2.gz NXJJCTHLRRLWDE-LBPRGKRZSA-N 1 2 278.356 -1.287 20 0 CAADLO C#CCN1CCN(C(=O)C[N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000081671214 656895050 /nfs/dbraw/zinc/89/50/50/656895050.db2.gz NXJJCTHLRRLWDE-LBPRGKRZSA-N 1 2 278.356 -1.287 20 0 CAADLO Cn1nnnc1CN1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000952401408 656895671 /nfs/dbraw/zinc/89/56/71/656895671.db2.gz QDRXVXUDEIFCOG-UHFFFAOYSA-N 1 2 290.331 -1.180 20 0 CAADLO NC(=O)CN1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000952403688 656895715 /nfs/dbraw/zinc/89/57/15/656895715.db2.gz XWAWSBMIGPNSBV-UHFFFAOYSA-N 1 2 251.290 -1.418 20 0 CAADLO C[C@H](CC(=O)N1CC(N(C)C(=O)C(N)=O)C1)n1cc[nH+]c1 ZINC000955162519 656899685 /nfs/dbraw/zinc/89/96/85/656899685.db2.gz VPEFJAHEEQATBW-SECBINFHSA-N 1 2 293.327 -1.011 20 0 CAADLO Cc1[nH+]c[nH]c1CC(=O)N1CC(N(C)C(=O)C(N)=O)C1 ZINC000955158591 656899757 /nfs/dbraw/zinc/89/97/57/656899757.db2.gz OXLLKUGVQSROLQ-UHFFFAOYSA-N 1 2 279.300 -1.585 20 0 CAADLO C[C@@H]1C[C@H](NC(=O)C(N)=O)CCN1C(=O)Cc1[nH]cc[nH+]1 ZINC000955797544 656903813 /nfs/dbraw/zinc/90/38/13/656903813.db2.gz OCOWEQWLGJGROA-RKDXNWHRSA-N 1 2 293.327 -1.067 20 0 CAADLO C[C@H]1C[C@H](NC(=O)C(N)=O)CCN1C(=O)Cn1cc[nH+]c1 ZINC000955731320 656904080 /nfs/dbraw/zinc/90/40/80/656904080.db2.gz UOPRPRXMJHJOOI-VHSXEESVSA-N 1 2 293.327 -1.136 20 0 CAADLO C[C@@H]1C[C@H](NC(=O)Cc2[nH]cc[nH+]2)CCN1C(=O)C(N)=O ZINC000955792914 656904918 /nfs/dbraw/zinc/90/49/18/656904918.db2.gz AVJYKISRNOITBY-RKDXNWHRSA-N 1 2 293.327 -1.067 20 0 CAADLO C[C@@H]1C[C@H](NC(=O)C(N)=O)CCN1C(=O)Cc1c[nH+]c[nH]1 ZINC000955839647 656905347 /nfs/dbraw/zinc/90/53/47/656905347.db2.gz OSDPRWPBNACXBO-RKDXNWHRSA-N 1 2 293.327 -1.067 20 0 CAADLO C[C@H]1C[C@@H](NC(=O)C(N)=O)CCN1C(=O)Cc1c[nH+]c[nH]1 ZINC000955839646 656907003 /nfs/dbraw/zinc/90/70/03/656907003.db2.gz OSDPRWPBNACXBO-IUCAKERBSA-N 1 2 293.327 -1.067 20 0 CAADLO C[C@H]1C[C@@H](NC(=O)Cc2c[nH]c[nH+]2)CCN1C(=O)C(N)=O ZINC000955802082 656907060 /nfs/dbraw/zinc/90/70/60/656907060.db2.gz HPMLZOJNYUKFMD-IUCAKERBSA-N 1 2 293.327 -1.067 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CCC[C@@H](NC(=O)c2cnnn2C)C1 ZINC001007251064 656907245 /nfs/dbraw/zinc/90/72/45/656907245.db2.gz PSBYNOOKJSENFX-RKDXNWHRSA-N 1 2 280.332 -1.117 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CCC[C@@H](NC(=O)c2cnnn2C)C1 ZINC001007251064 656907254 /nfs/dbraw/zinc/90/72/54/656907254.db2.gz PSBYNOOKJSENFX-RKDXNWHRSA-N 1 2 280.332 -1.117 20 0 CAADLO C[C@H]1C[C@H](NC(=O)C(N)=O)CCN1C(=O)Cc1c[nH+]c[nH]1 ZINC000955839645 656907654 /nfs/dbraw/zinc/90/76/54/656907654.db2.gz OSDPRWPBNACXBO-DTWKUNHWSA-N 1 2 293.327 -1.067 20 0 CAADLO Cc1nnc(CC(=O)N[C@@H]2CCC[N@H+](CC(N)=O)C2)o1 ZINC001007268500 656913880 /nfs/dbraw/zinc/91/38/80/656913880.db2.gz QLXNQEDHSVJSNI-SECBINFHSA-N 1 2 281.316 -1.014 20 0 CAADLO Cc1nnc(CC(=O)N[C@@H]2CCC[N@@H+](CC(N)=O)C2)o1 ZINC001007268500 656913887 /nfs/dbraw/zinc/91/38/87/656913887.db2.gz QLXNQEDHSVJSNI-SECBINFHSA-N 1 2 281.316 -1.014 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@H](NC(=O)[C@H]2COC(=O)N2)C1 ZINC001007262758 656916005 /nfs/dbraw/zinc/91/60/05/656916005.db2.gz RRBPXNITPJMDRD-JGVFFNPUSA-N 1 2 270.289 -1.839 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@H](NC(=O)[C@H]2COC(=O)N2)C1 ZINC001007262758 656916022 /nfs/dbraw/zinc/91/60/22/656916022.db2.gz RRBPXNITPJMDRD-JGVFFNPUSA-N 1 2 270.289 -1.839 20 0 CAADLO O=C(Cc1nnc[nH]1)N1CC[NH+](CCn2cncn2)CC1 ZINC000957135098 656916996 /nfs/dbraw/zinc/91/69/96/656916996.db2.gz XNVRLROCFKPPKC-UHFFFAOYSA-N 1 2 290.331 -1.217 20 0 CAADLO NC(=O)c1nccnc1C(=O)N1CC[NH+](CCO)CC1 ZINC000957589531 656921825 /nfs/dbraw/zinc/92/18/25/656921825.db2.gz RHLKIQKNLOILSD-UHFFFAOYSA-N 1 2 279.300 -1.674 20 0 CAADLO NC(=O)c1nccnc1C(=O)N1CC[NH+](CCCO)CC1 ZINC000957589516 656922882 /nfs/dbraw/zinc/92/28/82/656922882.db2.gz QDBDGAZYVIWKFA-UHFFFAOYSA-N 1 2 293.327 -1.284 20 0 CAADLO O=C([C@@H]1CCc2nncn2C1)N1CC[NH+](CCO)CC1 ZINC000957754315 656923728 /nfs/dbraw/zinc/92/37/28/656923728.db2.gz JKFJMDPSLMAKEB-LLVKDONJSA-N 1 2 279.344 -1.023 20 0 CAADLO Cc1cc(C(=O)NC[C@@H]2C[N@H+](CC(N)=O)C[C@@H]2O)on1 ZINC000957859761 656927559 /nfs/dbraw/zinc/92/75/59/656927559.db2.gz VCBRKXLVKMXWOH-BDAKNGLRSA-N 1 2 282.300 -1.509 20 0 CAADLO Cc1cc(C(=O)NC[C@@H]2C[N@@H+](CC(N)=O)C[C@@H]2O)on1 ZINC000957859761 656927562 /nfs/dbraw/zinc/92/75/62/656927562.db2.gz VCBRKXLVKMXWOH-BDAKNGLRSA-N 1 2 282.300 -1.509 20 0 CAADLO Cn1nnc(CN2CCN(C(=O)Cn3cc[nH+]c3)CC2)n1 ZINC000957899444 656930634 /nfs/dbraw/zinc/93/06/34/656930634.db2.gz BTICPESRNKJVOD-UHFFFAOYSA-N 1 2 290.331 -1.249 20 0 CAADLO NC(=O)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2cnsn2)C1 ZINC000957890749 656931765 /nfs/dbraw/zinc/93/17/65/656931765.db2.gz RIRHNIHREORKTJ-XPUUQOCRSA-N 1 2 285.329 -1.954 20 0 CAADLO NC(=O)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2cnsn2)C1 ZINC000957890749 656931774 /nfs/dbraw/zinc/93/17/74/656931774.db2.gz RIRHNIHREORKTJ-XPUUQOCRSA-N 1 2 285.329 -1.954 20 0 CAADLO CNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)c2ncn(C)n2)C1 ZINC001007273492 656931981 /nfs/dbraw/zinc/93/19/81/656931981.db2.gz PIGHEFNHYXXHHF-SECBINFHSA-N 1 2 280.332 -1.245 20 0 CAADLO CNC(=O)C[N@H+]1CCC[C@@H](NC(=O)c2ncn(C)n2)C1 ZINC001007273492 656931994 /nfs/dbraw/zinc/93/19/94/656931994.db2.gz PIGHEFNHYXXHHF-SECBINFHSA-N 1 2 280.332 -1.245 20 0 CAADLO NC(=O)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2cnns2)C1 ZINC000957902701 656932073 /nfs/dbraw/zinc/93/20/73/656932073.db2.gz VUCQOAACPWFJIC-BQBZGAKWSA-N 1 2 285.329 -1.954 20 0 CAADLO NC(=O)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2cnns2)C1 ZINC000957902701 656932082 /nfs/dbraw/zinc/93/20/82/656932082.db2.gz VUCQOAACPWFJIC-BQBZGAKWSA-N 1 2 285.329 -1.954 20 0 CAADLO NC(=O)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2ncccc2O)C1 ZINC000957995556 656941887 /nfs/dbraw/zinc/94/18/87/656941887.db2.gz NPKXZLUDWVXKLM-SCZZXKLOSA-N 1 2 294.311 -1.705 20 0 CAADLO NC(=O)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2ncccc2O)C1 ZINC000957995556 656941889 /nfs/dbraw/zinc/94/18/89/656941889.db2.gz NPKXZLUDWVXKLM-SCZZXKLOSA-N 1 2 294.311 -1.705 20 0 CAADLO O=C(Cn1cnnn1)N[C@@H]1[C@H]2C[N@H+](Cc3cnon3)C[C@H]21 ZINC000958182166 656949362 /nfs/dbraw/zinc/94/93/62/656949362.db2.gz WREMVYPWCVKBCD-JZYVYDRUSA-N 1 2 290.287 -1.697 20 0 CAADLO O=C(Cn1cnnn1)N[C@@H]1[C@H]2C[N@@H+](Cc3cnon3)C[C@H]21 ZINC000958182166 656949367 /nfs/dbraw/zinc/94/93/67/656949367.db2.gz WREMVYPWCVKBCD-JZYVYDRUSA-N 1 2 290.287 -1.697 20 0 CAADLO Cn1nnc(C(=O)NC[C@H]2C[N@H+](CC(N)=O)C[C@H]2O)n1 ZINC000958316965 656954686 /nfs/dbraw/zinc/95/46/86/656954686.db2.gz QFYYVEGTYKOMRZ-NKWVEPMBSA-N 1 2 283.292 -3.282 20 0 CAADLO Cn1nnc(C(=O)NC[C@H]2C[N@@H+](CC(N)=O)C[C@H]2O)n1 ZINC000958316965 656954697 /nfs/dbraw/zinc/95/46/97/656954697.db2.gz QFYYVEGTYKOMRZ-NKWVEPMBSA-N 1 2 283.292 -3.282 20 0 CAADLO Cn1nnc(C(=O)NC[C@@H]2C[N@H+](CC(N)=O)C[C@@H]2O)n1 ZINC000958316967 656956866 /nfs/dbraw/zinc/95/68/66/656956866.db2.gz QFYYVEGTYKOMRZ-RQJHMYQMSA-N 1 2 283.292 -3.282 20 0 CAADLO Cn1nnc(C(=O)NC[C@@H]2C[N@@H+](CC(N)=O)C[C@@H]2O)n1 ZINC000958316967 656956882 /nfs/dbraw/zinc/95/68/82/656956882.db2.gz QFYYVEGTYKOMRZ-RQJHMYQMSA-N 1 2 283.292 -3.282 20 0 CAADLO Cc1nc(CC(=O)N[C@@H]2[C@H]3C[N@@H+]([C@@H](C)C(N)=O)C[C@H]32)n[nH]1 ZINC000958817299 656981292 /nfs/dbraw/zinc/98/12/92/656981292.db2.gz YQGUEIXTJLUCBQ-FNQQPIMXSA-N 1 2 292.343 -1.424 20 0 CAADLO Cc1nc(CC(=O)N[C@@H]2[C@H]3C[N@H+]([C@@H](C)C(N)=O)C[C@H]32)n[nH]1 ZINC000958817299 656981299 /nfs/dbraw/zinc/98/12/99/656981299.db2.gz YQGUEIXTJLUCBQ-FNQQPIMXSA-N 1 2 292.343 -1.424 20 0 CAADLO CNC(=O)[C@H](C)[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC(N)=O ZINC001017431623 656991727 /nfs/dbraw/zinc/99/17/27/656991727.db2.gz GXRYOBFBXRZFSW-LPEHRKFASA-N 1 2 282.344 -1.329 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC(N)=O ZINC001017431623 656991732 /nfs/dbraw/zinc/99/17/32/656991732.db2.gz GXRYOBFBXRZFSW-LPEHRKFASA-N 1 2 282.344 -1.329 20 0 CAADLO Cn1nnc(C[NH2+]C[C@@H]2CCCCN2C(=O)CC(N)=O)n1 ZINC000959930429 656991799 /nfs/dbraw/zinc/99/17/99/656991799.db2.gz JUMFOENAVBLXNG-VIFPVBQESA-N 1 2 295.347 -1.444 20 0 CAADLO Cn1[nH]c(C[NH2+]C[C@@H]2CCCCN2C(=O)C(N)=O)nc1=O ZINC000960108237 656992661 /nfs/dbraw/zinc/99/26/61/656992661.db2.gz QDYHJBVFDNVEQZ-QMMMGPOBSA-N 1 2 296.331 -1.936 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cn[nH]n1 ZINC000960718122 656996619 /nfs/dbraw/zinc/99/66/19/656996619.db2.gz AFFJECUXAHAVPK-JAKMQLQISA-N 1 2 264.289 -1.662 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cn[nH]n1 ZINC000960718122 656996624 /nfs/dbraw/zinc/99/66/24/656996624.db2.gz AFFJECUXAHAVPK-JAKMQLQISA-N 1 2 264.289 -1.662 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnn[nH]1 ZINC000960718122 656996629 /nfs/dbraw/zinc/99/66/29/656996629.db2.gz AFFJECUXAHAVPK-JAKMQLQISA-N 1 2 264.289 -1.662 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnn[nH]1 ZINC000960718122 656996635 /nfs/dbraw/zinc/99/66/35/656996635.db2.gz AFFJECUXAHAVPK-JAKMQLQISA-N 1 2 264.289 -1.662 20 0 CAADLO O=C(N[C@@H]1[C@H]2C[N@H+](Cc3cnon3)C[C@H]21)[C@H]1CNC(=O)N1 ZINC000961627286 657008250 /nfs/dbraw/zinc/00/82/50/657008250.db2.gz JCCNAEYCUJNCBK-RGOKHQFPSA-N 1 2 292.299 -1.703 20 0 CAADLO O=C(N[C@@H]1[C@H]2C[N@@H+](Cc3cnon3)C[C@H]21)[C@H]1CNC(=O)N1 ZINC000961627286 657008255 /nfs/dbraw/zinc/00/82/55/657008255.db2.gz JCCNAEYCUJNCBK-RGOKHQFPSA-N 1 2 292.299 -1.703 20 0 CAADLO Cc1nnc([C@H](C)[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C(N)=O)[nH]1 ZINC000961651446 657010441 /nfs/dbraw/zinc/01/04/41/657010441.db2.gz VMPUSPXHMUVHQW-URJBTRRKSA-N 1 2 278.316 -1.294 20 0 CAADLO Cc1nnc([C@H](C)[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C(N)=O)[nH]1 ZINC000961651446 657010445 /nfs/dbraw/zinc/01/04/45/657010445.db2.gz VMPUSPXHMUVHQW-URJBTRRKSA-N 1 2 278.316 -1.294 20 0 CAADLO Cn1cc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C(N)=O)nn1 ZINC000961647152 657010475 /nfs/dbraw/zinc/01/04/75/657010475.db2.gz KQQPNVNRMKIXSX-BRPSZJMVSA-N 1 2 264.289 -2.153 20 0 CAADLO Cn1cc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C(N)=O)nn1 ZINC000961647152 657010481 /nfs/dbraw/zinc/01/04/81/657010481.db2.gz KQQPNVNRMKIXSX-BRPSZJMVSA-N 1 2 264.289 -2.153 20 0 CAADLO C[C@@H](c1nncn1C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(N)=O ZINC000961650390 657010557 /nfs/dbraw/zinc/01/05/57/657010557.db2.gz RVNHECAAPYYBKS-RBXMUDONSA-N 1 2 278.316 -1.592 20 0 CAADLO C[C@@H](c1nncn1C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(N)=O ZINC000961650390 657010561 /nfs/dbraw/zinc/01/05/61/657010561.db2.gz RVNHECAAPYYBKS-RBXMUDONSA-N 1 2 278.316 -1.592 20 0 CAADLO C[C@H](c1nncn1C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(N)=O ZINC000961650389 657010626 /nfs/dbraw/zinc/01/06/26/657010626.db2.gz RVNHECAAPYYBKS-HXFLIBJXSA-N 1 2 278.316 -1.592 20 0 CAADLO C[C@H](c1nncn1C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(N)=O ZINC000961650389 657010634 /nfs/dbraw/zinc/01/06/34/657010634.db2.gz RVNHECAAPYYBKS-HXFLIBJXSA-N 1 2 278.316 -1.592 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1=NC(=O)N(C)C1 ZINC000961669870 657011015 /nfs/dbraw/zinc/01/10/15/657011015.db2.gz HMAOIOWWJBYSCA-ODXREFDESA-N 1 2 293.327 -1.341 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1=NC(=O)N(C)C1 ZINC000961669870 657011019 /nfs/dbraw/zinc/01/10/19/657011019.db2.gz HMAOIOWWJBYSCA-ODXREFDESA-N 1 2 293.327 -1.341 20 0 CAADLO NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cnon3)C[C@H]21 ZINC000961781414 657012443 /nfs/dbraw/zinc/01/24/43/657012443.db2.gz PYHPMCVUVYJWOS-XXFSISAASA-N 1 2 291.311 -1.263 20 0 CAADLO NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cnon3)C[C@H]21 ZINC000961781414 657012448 /nfs/dbraw/zinc/01/24/48/657012448.db2.gz PYHPMCVUVYJWOS-XXFSISAASA-N 1 2 291.311 -1.263 20 0 CAADLO Cn1nncc1C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1nnc[nH]1 ZINC000962088902 657015780 /nfs/dbraw/zinc/01/57/80/657015780.db2.gz UIXINHMIFFKTLV-MYJAWHEDSA-N 1 2 288.315 -1.207 20 0 CAADLO Cn1nncc1C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1nnc[nH]1 ZINC000962088902 657015787 /nfs/dbraw/zinc/01/57/87/657015787.db2.gz UIXINHMIFFKTLV-MYJAWHEDSA-N 1 2 288.315 -1.207 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1nnc[nH]1 ZINC000962089724 657016017 /nfs/dbraw/zinc/01/60/17/657016017.db2.gz VUYUTXVEBPIGAA-NGJRWZKOSA-N 1 2 264.289 -1.662 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1nnc[nH]1 ZINC000962089724 657016021 /nfs/dbraw/zinc/01/60/21/657016021.db2.gz VUYUTXVEBPIGAA-NGJRWZKOSA-N 1 2 264.289 -1.662 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ncn[nH]1 ZINC000962089724 657016026 /nfs/dbraw/zinc/01/60/26/657016026.db2.gz VUYUTXVEBPIGAA-NGJRWZKOSA-N 1 2 264.289 -1.662 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ncn[nH]1 ZINC000962089724 657016031 /nfs/dbraw/zinc/01/60/31/657016031.db2.gz VUYUTXVEBPIGAA-NGJRWZKOSA-N 1 2 264.289 -1.662 20 0 CAADLO Cc1cc(=O)c(C(=O)N[C@@H]2[C@H]3C[N@H+](CC(N)=O)C[C@H]32)c[nH]1 ZINC000962202801 657018241 /nfs/dbraw/zinc/01/82/41/657018241.db2.gz BIWKUJZCWPUHOX-IWIIMEHWSA-N 1 2 290.323 -1.171 20 0 CAADLO Cc1cc(=O)c(C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(N)=O)C[C@H]32)c[nH]1 ZINC000962202801 657018246 /nfs/dbraw/zinc/01/82/46/657018246.db2.gz BIWKUJZCWPUHOX-IWIIMEHWSA-N 1 2 290.323 -1.171 20 0 CAADLO NC(=O)C(=O)N1C[C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]2C1 ZINC000962251291 657019147 /nfs/dbraw/zinc/01/91/47/657019147.db2.gz PGQLCHSPVFRSFG-DTORHVGOSA-N 1 2 291.311 -1.646 20 0 CAADLO O=C(N[C@@H]1[C@H]2C[N@H+](Cc3cnon3)C[C@H]21)[C@@H]1CCC(=O)N1 ZINC000962342947 657020015 /nfs/dbraw/zinc/02/00/15/657020015.db2.gz FKCPOVXXGDXQRE-MIZYBKAJSA-N 1 2 291.311 -1.105 20 0 CAADLO O=C(N[C@@H]1[C@H]2C[N@@H+](Cc3cnon3)C[C@H]21)[C@@H]1CCC(=O)N1 ZINC000962342947 657020019 /nfs/dbraw/zinc/02/00/19/657020019.db2.gz FKCPOVXXGDXQRE-MIZYBKAJSA-N 1 2 291.311 -1.105 20 0 CAADLO NC(=O)C(=O)N1CCC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000965126402 657030507 /nfs/dbraw/zinc/03/05/07/657030507.db2.gz CXOCZDFCHOHQLG-SECBINFHSA-N 1 2 293.327 -1.065 20 0 CAADLO C[C@H]1CC[N@H+](CC(N)=O)C[C@H]1NC(=O)CN1CCCC1=O ZINC000964971748 657030980 /nfs/dbraw/zinc/03/09/80/657030980.db2.gz YFGJAIGFQVEKKB-WDEREUQCSA-N 1 2 296.371 -1.079 20 0 CAADLO C[C@H]1CC[N@@H+](CC(N)=O)C[C@H]1NC(=O)CN1CCCC1=O ZINC000964971748 657030983 /nfs/dbraw/zinc/03/09/83/657030983.db2.gz YFGJAIGFQVEKKB-WDEREUQCSA-N 1 2 296.371 -1.079 20 0 CAADLO C[C@H]1CC[N@H+](CC(N)=O)C[C@@H]1NC(=O)CN1CCCC1=O ZINC000964971747 657031264 /nfs/dbraw/zinc/03/12/64/657031264.db2.gz YFGJAIGFQVEKKB-QWRGUYRKSA-N 1 2 296.371 -1.079 20 0 CAADLO C[C@H]1CC[N@@H+](CC(N)=O)C[C@@H]1NC(=O)CN1CCCC1=O ZINC000964971747 657031273 /nfs/dbraw/zinc/03/12/73/657031273.db2.gz YFGJAIGFQVEKKB-QWRGUYRKSA-N 1 2 296.371 -1.079 20 0 CAADLO C[C@@H]1CC[N@H+](CC(N)=O)C[C@@H]1NC(=O)Cn1cnnn1 ZINC000964969560 657031554 /nfs/dbraw/zinc/03/15/54/657031554.db2.gz UOXCXXZVNYQAHM-BDAKNGLRSA-N 1 2 281.320 -2.015 20 0 CAADLO C[C@@H]1CC[N@@H+](CC(N)=O)C[C@@H]1NC(=O)Cn1cnnn1 ZINC000964969560 657031559 /nfs/dbraw/zinc/03/15/59/657031559.db2.gz UOXCXXZVNYQAHM-BDAKNGLRSA-N 1 2 281.320 -2.015 20 0 CAADLO NC(=O)C(=O)N[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC000965137370 657032412 /nfs/dbraw/zinc/03/24/12/657032412.db2.gz HGTLLSPKAGUKLT-JTQLQIEISA-N 1 2 293.327 -1.134 20 0 CAADLO C[C@@H]1CC[N@H+](CC(N)=O)C[C@@H]1NC(=O)c1cc(=O)n(C)o1 ZINC000965960010 657035394 /nfs/dbraw/zinc/03/53/94/657035394.db2.gz ZSWZOZYAYYDGKA-BDAKNGLRSA-N 1 2 296.327 -1.096 20 0 CAADLO C[C@@H]1CC[N@@H+](CC(N)=O)C[C@@H]1NC(=O)c1cc(=O)n(C)o1 ZINC000965960010 657035400 /nfs/dbraw/zinc/03/54/00/657035400.db2.gz ZSWZOZYAYYDGKA-BDAKNGLRSA-N 1 2 296.327 -1.096 20 0 CAADLO C[C@H]1CC[N@H+](CC(N)=O)C[C@@H]1NC(=O)c1cnnn1C ZINC000965979015 657035648 /nfs/dbraw/zinc/03/56/48/657035648.db2.gz AVMUZLQMTBSALC-IUCAKERBSA-N 1 2 280.332 -1.259 20 0 CAADLO C[C@H]1CC[N@@H+](CC(N)=O)C[C@@H]1NC(=O)c1cnnn1C ZINC000965979015 657035656 /nfs/dbraw/zinc/03/56/56/657035656.db2.gz AVMUZLQMTBSALC-IUCAKERBSA-N 1 2 280.332 -1.259 20 0 CAADLO C[C@@H]1CC[N@H+](CC(N)=O)C[C@H]1NC(=O)CN1CN=NC1=O ZINC000965899082 657035763 /nfs/dbraw/zinc/03/57/63/657035763.db2.gz DRWOOUJUEWHGIK-RKDXNWHRSA-N 1 2 296.331 -1.704 20 0 CAADLO C[C@@H]1CC[N@@H+](CC(N)=O)C[C@H]1NC(=O)CN1CN=NC1=O ZINC000965899082 657035767 /nfs/dbraw/zinc/03/57/67/657035767.db2.gz DRWOOUJUEWHGIK-RKDXNWHRSA-N 1 2 296.331 -1.704 20 0 CAADLO C[C@H]1CC[N@H+](CC(N)=O)C[C@H]1NC(=O)c1ncn(C)n1 ZINC000965996798 657035843 /nfs/dbraw/zinc/03/58/43/657035843.db2.gz SVDQMAHXTNAJJR-DTWKUNHWSA-N 1 2 280.332 -1.259 20 0 CAADLO C[C@H]1CC[N@@H+](CC(N)=O)C[C@H]1NC(=O)c1ncn(C)n1 ZINC000965996798 657035845 /nfs/dbraw/zinc/03/58/45/657035845.db2.gz SVDQMAHXTNAJJR-DTWKUNHWSA-N 1 2 280.332 -1.259 20 0 CAADLO C[C@H]1CC[N@H+](CC(N)=O)C[C@H]1NC(=O)c1cc(=O)n(C)o1 ZINC000965960011 657036098 /nfs/dbraw/zinc/03/60/98/657036098.db2.gz ZSWZOZYAYYDGKA-DTWKUNHWSA-N 1 2 296.327 -1.096 20 0 CAADLO C[C@H]1CC[N@@H+](CC(N)=O)C[C@H]1NC(=O)c1cc(=O)n(C)o1 ZINC000965960011 657036104 /nfs/dbraw/zinc/03/61/04/657036104.db2.gz ZSWZOZYAYYDGKA-DTWKUNHWSA-N 1 2 296.327 -1.096 20 0 CAADLO C[C@@H]1CC[N@H+](CC(N)=O)C[C@@H]1NC(=O)c1ncn(C)n1 ZINC000965996797 657036279 /nfs/dbraw/zinc/03/62/79/657036279.db2.gz SVDQMAHXTNAJJR-BDAKNGLRSA-N 1 2 280.332 -1.259 20 0 CAADLO C[C@@H]1CC[N@@H+](CC(N)=O)C[C@@H]1NC(=O)c1ncn(C)n1 ZINC000965996797 657036282 /nfs/dbraw/zinc/03/62/82/657036282.db2.gz SVDQMAHXTNAJJR-BDAKNGLRSA-N 1 2 280.332 -1.259 20 0 CAADLO C[C@H]1CC[N@H+](CC(N)=O)C[C@H]1NC(=O)CN1CN=NC1=O ZINC000965899079 657036375 /nfs/dbraw/zinc/03/63/75/657036375.db2.gz DRWOOUJUEWHGIK-DTWKUNHWSA-N 1 2 296.331 -1.704 20 0 CAADLO C[C@H]1CC[N@@H+](CC(N)=O)C[C@H]1NC(=O)CN1CN=NC1=O ZINC000965899079 657036379 /nfs/dbraw/zinc/03/63/79/657036379.db2.gz DRWOOUJUEWHGIK-DTWKUNHWSA-N 1 2 296.331 -1.704 20 0 CAADLO C[C@H]1CC[N@H+](CC(N)=O)C[C@@H]1NC(=O)c1cnn(C)c1N ZINC000965926310 657036392 /nfs/dbraw/zinc/03/63/92/657036392.db2.gz PSFWQIWARDTWIT-WPRPVWTQSA-N 1 2 294.359 -1.072 20 0 CAADLO C[C@H]1CC[N@@H+](CC(N)=O)C[C@@H]1NC(=O)c1cnn(C)c1N ZINC000965926310 657036401 /nfs/dbraw/zinc/03/64/01/657036401.db2.gz PSFWQIWARDTWIT-WPRPVWTQSA-N 1 2 294.359 -1.072 20 0 CAADLO C[C@H]1CC[N@H+](CC(N)=O)C[C@@H]1NC(=O)c1cc(=O)n(C)o1 ZINC000965960012 657036454 /nfs/dbraw/zinc/03/64/54/657036454.db2.gz ZSWZOZYAYYDGKA-IUCAKERBSA-N 1 2 296.327 -1.096 20 0 CAADLO C[C@H]1CC[N@@H+](CC(N)=O)C[C@@H]1NC(=O)c1cc(=O)n(C)o1 ZINC000965960012 657036464 /nfs/dbraw/zinc/03/64/64/657036464.db2.gz ZSWZOZYAYYDGKA-IUCAKERBSA-N 1 2 296.327 -1.096 20 0 CAADLO C[C@@H]1CC[N@H+](CC(N)=O)C[C@@H]1NC(=O)CN1CCOCC1 ZINC000965921450 657036609 /nfs/dbraw/zinc/03/66/09/657036609.db2.gz KLBOLBSZGBWUPD-NEPJUHHUSA-N 1 2 298.387 -1.370 20 0 CAADLO C[C@@H]1CC[N@@H+](CC(N)=O)C[C@@H]1NC(=O)CN1CCOCC1 ZINC000965921450 657036615 /nfs/dbraw/zinc/03/66/15/657036615.db2.gz KLBOLBSZGBWUPD-NEPJUHHUSA-N 1 2 298.387 -1.370 20 0 CAADLO C[C@H]1CC[N@H+](CC(N)=O)C[C@@H]1NC(=O)Cn1ncnn1 ZINC000966138599 657037026 /nfs/dbraw/zinc/03/70/26/657037026.db2.gz WUKOHYQODXELOS-IUCAKERBSA-N 1 2 281.320 -2.015 20 0 CAADLO C[C@H]1CC[N@@H+](CC(N)=O)C[C@@H]1NC(=O)Cn1ncnn1 ZINC000966138599 657037036 /nfs/dbraw/zinc/03/70/36/657037036.db2.gz WUKOHYQODXELOS-IUCAKERBSA-N 1 2 281.320 -2.015 20 0 CAADLO C[C@@H]1CN(C(=O)CC(N)=O)C[C@@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC000966255504 657038564 /nfs/dbraw/zinc/03/85/64/657038564.db2.gz DACARZVYBLVYCW-SCZZXKLOSA-N 1 2 293.327 -1.209 20 0 CAADLO C[C@H]1CN(C(=O)CC(N)=O)C[C@@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC000966255512 657038964 /nfs/dbraw/zinc/03/89/64/657038964.db2.gz DACARZVYBLVYCW-WPRPVWTQSA-N 1 2 293.327 -1.209 20 0 CAADLO C[C@@H]1CC[N@H+](CCO)C[C@H]1NC(=O)C1CS(=O)(=O)C1 ZINC000966327558 657039563 /nfs/dbraw/zinc/03/95/63/657039563.db2.gz PZUSGEXBSRYTPD-MWLCHTKSSA-N 1 2 290.385 -1.150 20 0 CAADLO C[C@@H]1CC[N@@H+](CCO)C[C@H]1NC(=O)C1CS(=O)(=O)C1 ZINC000966327558 657039568 /nfs/dbraw/zinc/03/95/68/657039568.db2.gz PZUSGEXBSRYTPD-MWLCHTKSSA-N 1 2 290.385 -1.150 20 0 CAADLO C[C@H]1CC[N@H+](CCO)C[C@H]1NC(=O)C1CS(=O)(=O)C1 ZINC000966327556 657039825 /nfs/dbraw/zinc/03/98/25/657039825.db2.gz PZUSGEXBSRYTPD-GXSJLCMTSA-N 1 2 290.385 -1.150 20 0 CAADLO C[C@H]1CC[N@@H+](CCO)C[C@H]1NC(=O)C1CS(=O)(=O)C1 ZINC000966327556 657039829 /nfs/dbraw/zinc/03/98/29/657039829.db2.gz PZUSGEXBSRYTPD-GXSJLCMTSA-N 1 2 290.385 -1.150 20 0 CAADLO C[C@@H]1CC[N@H+](CCO)C[C@@H]1NC(=O)C1CS(=O)(=O)C1 ZINC000966327557 657040205 /nfs/dbraw/zinc/04/02/05/657040205.db2.gz PZUSGEXBSRYTPD-KOLCDFICSA-N 1 2 290.385 -1.150 20 0 CAADLO C[C@@H]1CC[N@@H+](CCO)C[C@@H]1NC(=O)C1CS(=O)(=O)C1 ZINC000966327557 657040211 /nfs/dbraw/zinc/04/02/11/657040211.db2.gz PZUSGEXBSRYTPD-KOLCDFICSA-N 1 2 290.385 -1.150 20 0 CAADLO C[C@@H]1CN(C(=O)CC(N)=O)C[C@@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC000966281337 657040329 /nfs/dbraw/zinc/04/03/29/657040329.db2.gz VOGSSJOHVOPIPP-BDAKNGLRSA-N 1 2 293.327 -1.209 20 0 CAADLO C[C@@H]1CC[N@H+](CC(N)=O)C[C@@H]1NC(=O)Cn1nccn1 ZINC000966419803 657040975 /nfs/dbraw/zinc/04/09/75/657040975.db2.gz IGKKQISMEKWZMW-ZJUUUORDSA-N 1 2 280.332 -1.410 20 0 CAADLO C[C@@H]1CC[N@@H+](CC(N)=O)C[C@@H]1NC(=O)Cn1nccn1 ZINC000966419803 657040984 /nfs/dbraw/zinc/04/09/84/657040984.db2.gz IGKKQISMEKWZMW-ZJUUUORDSA-N 1 2 280.332 -1.410 20 0 CAADLO C[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@@H]1NC(=O)C(N)=O ZINC000966375544 657041060 /nfs/dbraw/zinc/04/10/60/657041060.db2.gz KPQFRNOKVANGRN-BDAKNGLRSA-N 1 2 293.327 -1.209 20 0 CAADLO C[C@H]1CC[N@H+](CC(N)=O)C[C@@H]1NC(=O)Cn1nccn1 ZINC000966419801 657041149 /nfs/dbraw/zinc/04/11/49/657041149.db2.gz IGKKQISMEKWZMW-UWVGGRQHSA-N 1 2 280.332 -1.410 20 0 CAADLO C[C@H]1CC[N@@H+](CC(N)=O)C[C@@H]1NC(=O)Cn1nccn1 ZINC000966419801 657041152 /nfs/dbraw/zinc/04/11/52/657041152.db2.gz IGKKQISMEKWZMW-UWVGGRQHSA-N 1 2 280.332 -1.410 20 0 CAADLO C[C@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1NC(=O)C(N)=O ZINC000966521168 657041205 /nfs/dbraw/zinc/04/12/05/657041205.db2.gz XYMZVHLZUBJCJS-WCBMZHEXSA-N 1 2 293.327 -1.209 20 0 CAADLO C[C@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1NC(=O)C(N)=O ZINC000966521168 657041208 /nfs/dbraw/zinc/04/12/08/657041208.db2.gz XYMZVHLZUBJCJS-WCBMZHEXSA-N 1 2 293.327 -1.209 20 0 CAADLO C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@@H]1NC(=O)C(N)=O ZINC000966633896 657041640 /nfs/dbraw/zinc/04/16/40/657041640.db2.gz FZFPDGAIRQUXTC-ZJUUUORDSA-N 1 2 293.327 -1.278 20 0 CAADLO C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@@H]1NC(=O)C(N)=O ZINC000966610804 657041864 /nfs/dbraw/zinc/04/18/64/657041864.db2.gz QJOGZAKTXPQXDW-SCZZXKLOSA-N 1 2 293.327 -1.589 20 0 CAADLO C[C@H]1CN(C(=O)C(N)=O)C[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC000966749541 657044900 /nfs/dbraw/zinc/04/49/00/657044900.db2.gz GJEBNUDPONSPGV-WCBMZHEXSA-N 1 2 293.327 -1.589 20 0 CAADLO Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CN(C(=O)C(N)=O)C[C@H]1C ZINC000966751060 657045170 /nfs/dbraw/zinc/04/51/70/657045170.db2.gz IWGALBPEBKBNPK-XCBNKYQSSA-N 1 2 293.327 -1.291 20 0 CAADLO C[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1NC(=O)C(N)=O ZINC000966749578 657045528 /nfs/dbraw/zinc/04/55/28/657045528.db2.gz PBYCVOINLMHEQU-JGVFFNPUSA-N 1 2 279.300 -1.599 20 0 CAADLO C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1NC(=O)C(N)=O ZINC000966749581 657045637 /nfs/dbraw/zinc/04/56/37/657045637.db2.gz PBYCVOINLMHEQU-SFYZADRCSA-N 1 2 279.300 -1.599 20 0 CAADLO C[C@H]1CN(C(=O)C(N)=O)C[C@@H]1NC(=O)Cn1cc[nH+]c1 ZINC000966760172 657046569 /nfs/dbraw/zinc/04/65/69/657046569.db2.gz CVOFDHLLDSGAJT-IUCAKERBSA-N 1 2 279.300 -1.669 20 0 CAADLO Cn1[nH]c(C[NH2+][C@@H]2CCN(C(=O)[C@H]3CCCO3)C2)nc1=O ZINC000966854101 657047556 /nfs/dbraw/zinc/04/75/56/657047556.db2.gz DNWIAUMWCWJMDU-NXEZZACHSA-N 1 2 295.343 -1.022 20 0 CAADLO C[C@@H]1CC[N@H+](CC(N)=O)C[C@H]1NC(=O)c1c[nH]c(=O)cn1 ZINC000968079482 657050980 /nfs/dbraw/zinc/05/09/80/657050980.db2.gz NOFFIQMMAZUDLD-PSASIEDQSA-N 1 2 293.327 -1.305 20 0 CAADLO C[C@@H]1CC[N@@H+](CC(N)=O)C[C@H]1NC(=O)c1c[nH]c(=O)cn1 ZINC000968079482 657050983 /nfs/dbraw/zinc/05/09/83/657050983.db2.gz NOFFIQMMAZUDLD-PSASIEDQSA-N 1 2 293.327 -1.305 20 0 CAADLO C[C@H]1CC[N@H+](CC(N)=O)C[C@H]1NC(=O)c1c[nH]c(=O)cn1 ZINC000968079491 657051043 /nfs/dbraw/zinc/05/10/43/657051043.db2.gz NOFFIQMMAZUDLD-WCBMZHEXSA-N 1 2 293.327 -1.305 20 0 CAADLO C[C@H]1CC[N@@H+](CC(N)=O)C[C@H]1NC(=O)c1c[nH]c(=O)cn1 ZINC000968079491 657051046 /nfs/dbraw/zinc/05/10/46/657051046.db2.gz NOFFIQMMAZUDLD-WCBMZHEXSA-N 1 2 293.327 -1.305 20 0 CAADLO C[C@H]1CC[N@H+](CC(=O)NC2CC2)C[C@H]1NC(=O)C(N)=O ZINC000968133589 657051469 /nfs/dbraw/zinc/05/14/69/657051469.db2.gz UNINKSWDNQVSBY-WCBMZHEXSA-N 1 2 282.344 -1.423 20 0 CAADLO C[C@H]1CC[N@@H+](CC(=O)NC2CC2)C[C@H]1NC(=O)C(N)=O ZINC000968133589 657051478 /nfs/dbraw/zinc/05/14/78/657051478.db2.gz UNINKSWDNQVSBY-WCBMZHEXSA-N 1 2 282.344 -1.423 20 0 CAADLO C[C@@H]1CC[N@H+](CC(=O)N(C)C2CC2)C[C@@H]1NC(=O)C(N)=O ZINC000968131902 657051570 /nfs/dbraw/zinc/05/15/70/657051570.db2.gz OXLGHMCEHRSKRM-KOLCDFICSA-N 1 2 296.371 -1.081 20 0 CAADLO C[C@@H]1CC[N@@H+](CC(=O)N(C)C2CC2)C[C@@H]1NC(=O)C(N)=O ZINC000968131902 657051577 /nfs/dbraw/zinc/05/15/77/657051577.db2.gz OXLGHMCEHRSKRM-KOLCDFICSA-N 1 2 296.371 -1.081 20 0 CAADLO C[C@@H]1CC[N@H+](CC(=O)N2CCCC2)C[C@H]1NC(=O)C(N)=O ZINC000968129651 657052386 /nfs/dbraw/zinc/05/23/86/657052386.db2.gz JJAFLICAHDULKK-GHMZBOCLSA-N 1 2 296.371 -1.079 20 0 CAADLO C[C@@H]1CC[N@@H+](CC(=O)N2CCCC2)C[C@H]1NC(=O)C(N)=O ZINC000968129651 657052389 /nfs/dbraw/zinc/05/23/89/657052389.db2.gz JJAFLICAHDULKK-GHMZBOCLSA-N 1 2 296.371 -1.079 20 0 CAADLO C[C@H]1CC[N@H+](CC(=O)N(C)C)C[C@H]1NC(=O)C(N)=O ZINC000968132207 657052414 /nfs/dbraw/zinc/05/24/14/657052414.db2.gz PERSZBPUZKKRSQ-DTWKUNHWSA-N 1 2 270.333 -1.614 20 0 CAADLO C[C@H]1CC[N@@H+](CC(=O)N(C)C)C[C@H]1NC(=O)C(N)=O ZINC000968132207 657052420 /nfs/dbraw/zinc/05/24/20/657052420.db2.gz PERSZBPUZKKRSQ-DTWKUNHWSA-N 1 2 270.333 -1.614 20 0 CAADLO C[C@@H]1CC[N@H+](CC(N)=O)C[C@@H]1NC(=O)Cc1nc[nH]n1 ZINC000968520451 657054978 /nfs/dbraw/zinc/05/49/78/657054978.db2.gz IWXATTCFIBAUMH-BDAKNGLRSA-N 1 2 280.332 -1.341 20 0 CAADLO C[C@@H]1CC[N@@H+](CC(N)=O)C[C@@H]1NC(=O)Cc1nc[nH]n1 ZINC000968520451 657054984 /nfs/dbraw/zinc/05/49/84/657054984.db2.gz IWXATTCFIBAUMH-BDAKNGLRSA-N 1 2 280.332 -1.341 20 0 CAADLO O=C(Cn1ncnn1)N1CC[C@@H]([NH2+]Cc2csnn2)C1 ZINC000968683463 657057342 /nfs/dbraw/zinc/05/73/42/657057342.db2.gz MFMIKOQEPQGTSE-MRVPVSSYSA-N 1 2 294.344 -1.085 20 0 CAADLO CC(=O)N1CC(C(=O)N[C@H]2CCC[N@@H+]([C@@H](C)C(N)=O)C2)C1 ZINC001007223260 657057427 /nfs/dbraw/zinc/05/74/27/657057427.db2.gz USWFSSLTPVEKPY-CABZTGNLSA-N 1 2 296.371 -1.081 20 0 CAADLO CC(=O)N1CC(C(=O)N[C@H]2CCC[N@H+]([C@@H](C)C(N)=O)C2)C1 ZINC001007223260 657057429 /nfs/dbraw/zinc/05/74/29/657057429.db2.gz USWFSSLTPVEKPY-CABZTGNLSA-N 1 2 296.371 -1.081 20 0 CAADLO CC(=O)N1CC(C(=O)N[C@@H]2CCC[N@@H+]([C@H](C)C(N)=O)C2)C1 ZINC001007223259 657057864 /nfs/dbraw/zinc/05/78/64/657057864.db2.gz USWFSSLTPVEKPY-BXKDBHETSA-N 1 2 296.371 -1.081 20 0 CAADLO CC(=O)N1CC(C(=O)N[C@@H]2CCC[N@H+]([C@H](C)C(N)=O)C2)C1 ZINC001007223259 657057867 /nfs/dbraw/zinc/05/78/67/657057867.db2.gz USWFSSLTPVEKPY-BXKDBHETSA-N 1 2 296.371 -1.081 20 0 CAADLO Cn1nnc(C(=O)NC[C@@H]2CCCCC[N@@H+]2CC(N)=O)n1 ZINC000968990528 657059153 /nfs/dbraw/zinc/05/91/53/657059153.db2.gz GGKYUJWZBLZBJI-VIFPVBQESA-N 1 2 295.347 -1.330 20 0 CAADLO Cn1nnc(C(=O)NC[C@@H]2CCCCC[N@H+]2CC(N)=O)n1 ZINC000968990528 657059157 /nfs/dbraw/zinc/05/91/57/657059157.db2.gz GGKYUJWZBLZBJI-VIFPVBQESA-N 1 2 295.347 -1.330 20 0 CAADLO Cn1c[nH+]cc1CC(=O)N[C@@H]1CN(C(=O)C(N)=O)C[C@@H]1O ZINC000969077832 657060739 /nfs/dbraw/zinc/06/07/39/657060739.db2.gz HYERITIZRIPVKA-BDAKNGLRSA-N 1 2 295.299 -2.864 20 0 CAADLO CNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)c2nccnc2N)C1 ZINC001006942344 657061311 /nfs/dbraw/zinc/06/13/11/657061311.db2.gz AWLKZMZOQOZSMN-SECBINFHSA-N 1 2 292.343 -1.001 20 0 CAADLO CNC(=O)C[N@H+]1CCC[C@@H](NC(=O)c2nccnc2N)C1 ZINC001006942344 657061314 /nfs/dbraw/zinc/06/13/14/657061314.db2.gz AWLKZMZOQOZSMN-SECBINFHSA-N 1 2 292.343 -1.001 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCNC(=O)C2)C1 ZINC001007108526 657061543 /nfs/dbraw/zinc/06/15/43/657061543.db2.gz WMJVNVJYKZEKRM-NXEZZACHSA-N 1 2 282.344 -1.422 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCNC(=O)C2)C1 ZINC001007108526 657061552 /nfs/dbraw/zinc/06/15/52/657061552.db2.gz WMJVNVJYKZEKRM-NXEZZACHSA-N 1 2 282.344 -1.422 20 0 CAADLO NC(=O)C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1c[nH]c[nH+]1)C2 ZINC001006721809 657061789 /nfs/dbraw/zinc/06/17/89/657061789.db2.gz BBUICVIQVMOGDA-BBBLOLIVSA-N 1 2 291.311 -1.314 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCNC(=O)C2)C1 ZINC001007108536 657061867 /nfs/dbraw/zinc/06/18/67/657061867.db2.gz WMJVNVJYKZEKRM-VHSXEESVSA-N 1 2 282.344 -1.422 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCNC(=O)C2)C1 ZINC001007108536 657061873 /nfs/dbraw/zinc/06/18/73/657061873.db2.gz WMJVNVJYKZEKRM-VHSXEESVSA-N 1 2 282.344 -1.422 20 0 CAADLO CNC(=O)C[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCC(=O)N2)C1 ZINC001006922322 657062026 /nfs/dbraw/zinc/06/20/26/657062026.db2.gz ZJBDGLNIVARLHP-VHSXEESVSA-N 1 2 282.344 -1.408 20 0 CAADLO CNC(=O)C[N@H+]1CCC[C@H](NC(=O)[C@H]2CCC(=O)N2)C1 ZINC001006922322 657062032 /nfs/dbraw/zinc/06/20/32/657062032.db2.gz ZJBDGLNIVARLHP-VHSXEESVSA-N 1 2 282.344 -1.408 20 0 CAADLO CNC(=O)CN1CCC[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001007005398 657062093 /nfs/dbraw/zinc/06/20/93/657062093.db2.gz XHARHUVQKHRQAB-RYUDHWBXSA-N 1 2 298.387 -1.356 20 0 CAADLO CNC(=O)CN1CCC[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001007005398 657062095 /nfs/dbraw/zinc/06/20/95/657062095.db2.gz XHARHUVQKHRQAB-RYUDHWBXSA-N 1 2 298.387 -1.356 20 0 CAADLO CNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2COC(=O)N2)C1 ZINC001007256995 657062463 /nfs/dbraw/zinc/06/24/63/657062463.db2.gz FLPGZANGNNTLRS-RKDXNWHRSA-N 1 2 284.316 -1.579 20 0 CAADLO CNC(=O)C[N@H+]1CCC[C@@H](NC(=O)[C@H]2COC(=O)N2)C1 ZINC001007256995 657062471 /nfs/dbraw/zinc/06/24/71/657062471.db2.gz FLPGZANGNNTLRS-RKDXNWHRSA-N 1 2 284.316 -1.579 20 0 CAADLO Cn1cnc(C(=O)N[C@H]2CCC[N@@H+]([C@@H]3CCNC3=O)C2)n1 ZINC001007272720 657062478 /nfs/dbraw/zinc/06/24/78/657062478.db2.gz LHXYQUJHHACMLQ-VHSXEESVSA-N 1 2 292.343 -1.102 20 0 CAADLO Cn1cnc(C(=O)N[C@H]2CCC[N@H+]([C@@H]3CCNC3=O)C2)n1 ZINC001007272720 657062484 /nfs/dbraw/zinc/06/24/84/657062484.db2.gz LHXYQUJHHACMLQ-VHSXEESVSA-N 1 2 292.343 -1.102 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CCC[C@H](NC(=O)c2cn(C)nn2)C1 ZINC001007265297 657062582 /nfs/dbraw/zinc/06/25/82/657062582.db2.gz AQSSHTIJJRWPEP-IUCAKERBSA-N 1 2 280.332 -1.117 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CCC[C@H](NC(=O)c2cn(C)nn2)C1 ZINC001007265297 657062587 /nfs/dbraw/zinc/06/25/87/657062587.db2.gz AQSSHTIJJRWPEP-IUCAKERBSA-N 1 2 280.332 -1.117 20 0 CAADLO C[C@@H](C(=O)N[C@@H]1CCC[N@H+](CC(N)=O)C1)n1cncn1 ZINC001007165378 657062702 /nfs/dbraw/zinc/06/27/02/657062702.db2.gz RAEYHLGNNSIGBO-VHSXEESVSA-N 1 2 280.332 -1.095 20 0 CAADLO C[C@@H](C(=O)N[C@@H]1CCC[N@@H+](CC(N)=O)C1)n1cncn1 ZINC001007165378 657062706 /nfs/dbraw/zinc/06/27/06/657062706.db2.gz RAEYHLGNNSIGBO-VHSXEESVSA-N 1 2 280.332 -1.095 20 0 CAADLO C[C@@H](C(=O)N[C@H]1CCC[N@H+](CC(N)=O)C1)n1cncn1 ZINC001007165376 657062785 /nfs/dbraw/zinc/06/27/85/657062785.db2.gz RAEYHLGNNSIGBO-UWVGGRQHSA-N 1 2 280.332 -1.095 20 0 CAADLO C[C@@H](C(=O)N[C@H]1CCC[N@@H+](CC(N)=O)C1)n1cncn1 ZINC001007165376 657062791 /nfs/dbraw/zinc/06/27/91/657062791.db2.gz RAEYHLGNNSIGBO-UWVGGRQHSA-N 1 2 280.332 -1.095 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CCC[C@@H](NC(=O)Cn2ncnn2)C1 ZINC001007344305 657062823 /nfs/dbraw/zinc/06/28/23/657062823.db2.gz OQFYJICVXRAMEO-RKDXNWHRSA-N 1 2 281.320 -1.873 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CCC[C@@H](NC(=O)Cn2ncnn2)C1 ZINC001007344305 657062829 /nfs/dbraw/zinc/06/28/29/657062829.db2.gz OQFYJICVXRAMEO-RKDXNWHRSA-N 1 2 281.320 -1.873 20 0 CAADLO Cn1nncc1C(=O)N[C@H]1CCC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001007240826 657063073 /nfs/dbraw/zinc/06/30/73/657063073.db2.gz CZIGZDMCDACGRF-UWVGGRQHSA-N 1 2 292.343 -1.102 20 0 CAADLO Cn1nncc1C(=O)N[C@H]1CCC[N@H+]([C@H]2CCNC2=O)C1 ZINC001007240826 657063077 /nfs/dbraw/zinc/06/30/77/657063077.db2.gz CZIGZDMCDACGRF-UWVGGRQHSA-N 1 2 292.343 -1.102 20 0 CAADLO Cn1ncc(C(=O)N[C@H]2CCC[N@H+](CC(N)=O)C2)c1N ZINC001007173665 657063102 /nfs/dbraw/zinc/06/31/02/657063102.db2.gz MIJHAGATPCHHDO-QMMMGPOBSA-N 1 2 280.332 -1.318 20 0 CAADLO Cn1ncc(C(=O)N[C@H]2CCC[N@@H+](CC(N)=O)C2)c1N ZINC001007173665 657063106 /nfs/dbraw/zinc/06/31/06/657063106.db2.gz MIJHAGATPCHHDO-QMMMGPOBSA-N 1 2 280.332 -1.318 20 0 CAADLO Cc1nnc(CC(=O)N[C@H]2CCC[N@H+](CC(N)=O)C2)[nH]1 ZINC001007309289 657063131 /nfs/dbraw/zinc/06/31/31/657063131.db2.gz VQAVWXVUCAMENY-VIFPVBQESA-N 1 2 280.332 -1.278 20 0 CAADLO Cc1nnc(CC(=O)N[C@H]2CCC[N@@H+](CC(N)=O)C2)[nH]1 ZINC001007309289 657063133 /nfs/dbraw/zinc/06/31/33/657063133.db2.gz VQAVWXVUCAMENY-VIFPVBQESA-N 1 2 280.332 -1.278 20 0 CAADLO Cn1oc(C(=O)N[C@@H]2CCC[N@H+](CC(N)=O)C2)cc1=O ZINC001007214410 657063164 /nfs/dbraw/zinc/06/31/64/657063164.db2.gz JKZPVSCTUUUKEO-MRVPVSSYSA-N 1 2 282.300 -1.342 20 0 CAADLO Cn1oc(C(=O)N[C@@H]2CCC[N@@H+](CC(N)=O)C2)cc1=O ZINC001007214410 657063168 /nfs/dbraw/zinc/06/31/68/657063168.db2.gz JKZPVSCTUUUKEO-MRVPVSSYSA-N 1 2 282.300 -1.342 20 0 CAADLO Cn1cc(C(=O)N[C@H]2CCC[N@@H+]([C@@H]3CCNC3=O)C2)nn1 ZINC001007253718 657063194 /nfs/dbraw/zinc/06/31/94/657063194.db2.gz BFEUCCUZLUQUNK-GXSJLCMTSA-N 1 2 292.343 -1.102 20 0 CAADLO Cn1cc(C(=O)N[C@H]2CCC[N@H+]([C@@H]3CCNC3=O)C2)nn1 ZINC001007253718 657063197 /nfs/dbraw/zinc/06/31/97/657063197.db2.gz BFEUCCUZLUQUNK-GXSJLCMTSA-N 1 2 292.343 -1.102 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@H](NC(=O)CN2CN=NC2=O)C1 ZINC001007161042 657063573 /nfs/dbraw/zinc/06/35/73/657063573.db2.gz MOUCJNSYAUVFAI-QMMMGPOBSA-N 1 2 282.304 -1.950 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@H](NC(=O)CN2CN=NC2=O)C1 ZINC001007161042 657063577 /nfs/dbraw/zinc/06/35/77/657063577.db2.gz MOUCJNSYAUVFAI-QMMMGPOBSA-N 1 2 282.304 -1.950 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@@H](NC(=O)C[C@H]2CCNC2=O)C1 ZINC001007489565 657063855 /nfs/dbraw/zinc/06/38/55/657063855.db2.gz TUKGOZXXWSCDRM-NXEZZACHSA-N 1 2 282.344 -1.422 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@@H](NC(=O)C[C@H]2CCNC2=O)C1 ZINC001007489565 657063860 /nfs/dbraw/zinc/06/38/60/657063860.db2.gz TUKGOZXXWSCDRM-NXEZZACHSA-N 1 2 282.344 -1.422 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CCC[C@H](NC(=O)Cn2nccn2)C1 ZINC001007419348 657064009 /nfs/dbraw/zinc/06/40/09/657064009.db2.gz GYXBBYWPLIEXLK-ZJUUUORDSA-N 1 2 280.332 -1.268 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CCC[C@H](NC(=O)Cn2nccn2)C1 ZINC001007419348 657064013 /nfs/dbraw/zinc/06/40/13/657064013.db2.gz GYXBBYWPLIEXLK-ZJUUUORDSA-N 1 2 280.332 -1.268 20 0 CAADLO NC(=O)c1ncn(CC(=O)N[C@H]2CCC[N@H+](CCF)C2)n1 ZINC001007373672 657064051 /nfs/dbraw/zinc/06/40/51/657064051.db2.gz QTBIHNICYTTZTD-VIFPVBQESA-N 1 2 298.322 -1.073 20 0 CAADLO NC(=O)c1ncn(CC(=O)N[C@H]2CCC[N@@H+](CCF)C2)n1 ZINC001007373672 657064059 /nfs/dbraw/zinc/06/40/59/657064059.db2.gz QTBIHNICYTTZTD-VIFPVBQESA-N 1 2 298.322 -1.073 20 0 CAADLO CNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CC(=O)N(C)C2)C1 ZINC001007453042 657064142 /nfs/dbraw/zinc/06/41/42/657064142.db2.gz OXYIWYKJCMECRR-GHMZBOCLSA-N 1 2 296.371 -1.209 20 0 CAADLO CNC(=O)C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CC(=O)N(C)C2)C1 ZINC001007453042 657064146 /nfs/dbraw/zinc/06/41/46/657064146.db2.gz OXYIWYKJCMECRR-GHMZBOCLSA-N 1 2 296.371 -1.209 20 0 CAADLO CNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CC(=O)N(C)C2)C1 ZINC001007453045 657064312 /nfs/dbraw/zinc/06/43/12/657064312.db2.gz OXYIWYKJCMECRR-WDEREUQCSA-N 1 2 296.371 -1.209 20 0 CAADLO CNC(=O)C[N@H+]1CCC[C@@H](NC(=O)[C@H]2CC(=O)N(C)C2)C1 ZINC001007453045 657064317 /nfs/dbraw/zinc/06/43/17/657064317.db2.gz OXYIWYKJCMECRR-WDEREUQCSA-N 1 2 296.371 -1.209 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CCC[C@H](NC(=O)Cn2nccn2)C1 ZINC001007419343 657064408 /nfs/dbraw/zinc/06/44/08/657064408.db2.gz GYXBBYWPLIEXLK-UWVGGRQHSA-N 1 2 280.332 -1.268 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CCC[C@H](NC(=O)Cn2nccn2)C1 ZINC001007419343 657064413 /nfs/dbraw/zinc/06/44/13/657064413.db2.gz GYXBBYWPLIEXLK-UWVGGRQHSA-N 1 2 280.332 -1.268 20 0 CAADLO CNC(=O)C[N@@H+]1CCC[C@H](NC(=O)[C@H]2CC(=O)N(C)C2)C1 ZINC001007453044 657064593 /nfs/dbraw/zinc/06/45/93/657064593.db2.gz OXYIWYKJCMECRR-QWRGUYRKSA-N 1 2 296.371 -1.209 20 0 CAADLO CNC(=O)C[N@H+]1CCC[C@H](NC(=O)[C@H]2CC(=O)N(C)C2)C1 ZINC001007453044 657064596 /nfs/dbraw/zinc/06/45/96/657064596.db2.gz OXYIWYKJCMECRR-QWRGUYRKSA-N 1 2 296.371 -1.209 20 0 CAADLO O=C(N[C@H]1CCC[N@@H+](CCO)C1)C1CS(=O)(=O)C1 ZINC001007411009 657064810 /nfs/dbraw/zinc/06/48/10/657064810.db2.gz ICBDDSXHLTVDMU-JTQLQIEISA-N 1 2 276.358 -1.396 20 0 CAADLO O=C(N[C@H]1CCC[N@H+](CCO)C1)C1CS(=O)(=O)C1 ZINC001007411009 657064815 /nfs/dbraw/zinc/06/48/15/657064815.db2.gz ICBDDSXHLTVDMU-JTQLQIEISA-N 1 2 276.358 -1.396 20 0 CAADLO C[C@]1(C(=O)N[C@H]2CCC[N@H+](CC(N)=O)C2)CCNC(=O)C1 ZINC001007624656 657065120 /nfs/dbraw/zinc/06/51/20/657065120.db2.gz ORALWOCFTSVJIX-HZMBPMFUSA-N 1 2 296.371 -1.031 20 0 CAADLO C[C@]1(C(=O)N[C@H]2CCC[N@@H+](CC(N)=O)C2)CCNC(=O)C1 ZINC001007624656 657065125 /nfs/dbraw/zinc/06/51/25/657065125.db2.gz ORALWOCFTSVJIX-HZMBPMFUSA-N 1 2 296.371 -1.031 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCCC(=O)N2)C1 ZINC001007564784 657065186 /nfs/dbraw/zinc/06/51/86/657065186.db2.gz XANKYEGVTCDZDE-VHSXEESVSA-N 1 2 282.344 -1.279 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@H](NC(=O)[C@H]2CCCC(=O)N2)C1 ZINC001007564784 657065193 /nfs/dbraw/zinc/06/51/93/657065193.db2.gz XANKYEGVTCDZDE-VHSXEESVSA-N 1 2 282.344 -1.279 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCNC2=O)C1 ZINC001007536549 657065233 /nfs/dbraw/zinc/06/52/33/657065233.db2.gz YJWXAZQUXITOIT-NXEZZACHSA-N 1 2 282.344 -1.422 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCNC2=O)C1 ZINC001007536549 657065238 /nfs/dbraw/zinc/06/52/38/657065238.db2.gz YJWXAZQUXITOIT-NXEZZACHSA-N 1 2 282.344 -1.422 20 0 CAADLO C[C@@]1(C(=O)N[C@@H]2CCC[N@H+](CC(N)=O)C2)CCNC(=O)C1 ZINC001007624670 657065278 /nfs/dbraw/zinc/06/52/78/657065278.db2.gz ORALWOCFTSVJIX-QMTHXVAHSA-N 1 2 296.371 -1.031 20 0 CAADLO C[C@@]1(C(=O)N[C@@H]2CCC[N@@H+](CC(N)=O)C2)CCNC(=O)C1 ZINC001007624670 657065279 /nfs/dbraw/zinc/06/52/79/657065279.db2.gz ORALWOCFTSVJIX-QMTHXVAHSA-N 1 2 296.371 -1.031 20 0 CAADLO C[C@@H]1OCCO[C@@H]1C(=O)N[C@H]1CCC[N@H+](CC(N)=O)C1 ZINC001007524299 657065410 /nfs/dbraw/zinc/06/54/10/657065410.db2.gz HGZCYVYQKABFGN-NHCYSSNCSA-N 1 2 285.344 -1.144 20 0 CAADLO C[C@@H]1OCCO[C@@H]1C(=O)N[C@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001007524299 657065412 /nfs/dbraw/zinc/06/54/12/657065412.db2.gz HGZCYVYQKABFGN-NHCYSSNCSA-N 1 2 285.344 -1.144 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCCNC2=O)C1 ZINC001007536553 657065443 /nfs/dbraw/zinc/06/54/43/657065443.db2.gz YJWXAZQUXITOIT-VHSXEESVSA-N 1 2 282.344 -1.422 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCCNC2=O)C1 ZINC001007536553 657065445 /nfs/dbraw/zinc/06/54/45/657065445.db2.gz YJWXAZQUXITOIT-VHSXEESVSA-N 1 2 282.344 -1.422 20 0 CAADLO Cn1cnc(C(=O)N[C@H]2CCC[N@H+](CC(N)=O)C2)cc1=O ZINC001007522177 657065454 /nfs/dbraw/zinc/06/54/54/657065454.db2.gz RIIDEQTWQVQVBV-VIFPVBQESA-N 1 2 293.327 -1.540 20 0 CAADLO Cn1cnc(C(=O)N[C@H]2CCC[N@@H+](CC(N)=O)C2)cc1=O ZINC001007522177 657065460 /nfs/dbraw/zinc/06/54/60/657065460.db2.gz RIIDEQTWQVQVBV-VIFPVBQESA-N 1 2 293.327 -1.540 20 0 CAADLO CN1CC[C@@H](C(=O)N[C@H]2CCC[N@H+](CC(N)=O)C2)CC1=O ZINC001007669902 657065494 /nfs/dbraw/zinc/06/54/94/657065494.db2.gz PCMJGHLOSLFQRZ-MNOVXSKESA-N 1 2 296.371 -1.079 20 0 CAADLO CN1CC[C@@H](C(=O)N[C@H]2CCC[N@@H+](CC(N)=O)C2)CC1=O ZINC001007669902 657065496 /nfs/dbraw/zinc/06/54/96/657065496.db2.gz PCMJGHLOSLFQRZ-MNOVXSKESA-N 1 2 296.371 -1.079 20 0 CAADLO CNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCNC2=O)C1 ZINC001007532010 657065592 /nfs/dbraw/zinc/06/55/92/657065592.db2.gz ONKJQFBMQIKUEE-GHMZBOCLSA-N 1 2 296.371 -1.161 20 0 CAADLO CNC(=O)C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCNC2=O)C1 ZINC001007532010 657065595 /nfs/dbraw/zinc/06/55/95/657065595.db2.gz ONKJQFBMQIKUEE-GHMZBOCLSA-N 1 2 296.371 -1.161 20 0 CAADLO C[C@@]1(C(=O)N[C@H]2CCC[N@H+](CC(N)=O)C2)CCNC(=O)C1 ZINC001007624662 657065624 /nfs/dbraw/zinc/06/56/24/657065624.db2.gz ORALWOCFTSVJIX-IINYFYTJSA-N 1 2 296.371 -1.031 20 0 CAADLO C[C@@]1(C(=O)N[C@H]2CCC[N@@H+](CC(N)=O)C2)CCNC(=O)C1 ZINC001007624662 657065625 /nfs/dbraw/zinc/06/56/25/657065625.db2.gz ORALWOCFTSVJIX-IINYFYTJSA-N 1 2 296.371 -1.031 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@H](NC(=O)c2cnc[nH]c2=O)C1 ZINC001007577289 657065719 /nfs/dbraw/zinc/06/57/19/657065719.db2.gz RFBSESWUILTRMA-QMMMGPOBSA-N 1 2 279.300 -1.138 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@H](NC(=O)c2cnc[nH]c2=O)C1 ZINC001007577289 657065724 /nfs/dbraw/zinc/06/57/24/657065724.db2.gz RFBSESWUILTRMA-QMMMGPOBSA-N 1 2 279.300 -1.138 20 0 CAADLO CNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCCC(=O)N2)C1 ZINC001007562430 657065746 /nfs/dbraw/zinc/06/57/46/657065746.db2.gz MVBRNRPEUBFPBS-GHMZBOCLSA-N 1 2 296.371 -1.018 20 0 CAADLO CNC(=O)C[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCCC(=O)N2)C1 ZINC001007562430 657065750 /nfs/dbraw/zinc/06/57/50/657065750.db2.gz MVBRNRPEUBFPBS-GHMZBOCLSA-N 1 2 296.371 -1.018 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@H](NC(=O)c2cn[nH]c(=O)c2)C1 ZINC001007547976 657065836 /nfs/dbraw/zinc/06/58/36/657065836.db2.gz RQXOHZUPSASHJB-VIFPVBQESA-N 1 2 279.300 -1.138 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@H](NC(=O)c2cn[nH]c(=O)c2)C1 ZINC001007547976 657065840 /nfs/dbraw/zinc/06/58/40/657065840.db2.gz RQXOHZUPSASHJB-VIFPVBQESA-N 1 2 279.300 -1.138 20 0 CAADLO CNC(=O)C[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCCC(=O)N2)C1 ZINC001007562440 657065866 /nfs/dbraw/zinc/06/58/66/657065866.db2.gz MVBRNRPEUBFPBS-WDEREUQCSA-N 1 2 296.371 -1.018 20 0 CAADLO CNC(=O)C[N@H+]1CCC[C@H](NC(=O)[C@H]2CCCC(=O)N2)C1 ZINC001007562440 657065869 /nfs/dbraw/zinc/06/58/69/657065869.db2.gz MVBRNRPEUBFPBS-WDEREUQCSA-N 1 2 296.371 -1.018 20 0 CAADLO C[C@]1(C(=O)N[C@@H]2CCC[N@H+](CC(N)=O)C2)CCNC(=O)C1 ZINC001007624676 657065881 /nfs/dbraw/zinc/06/58/81/657065881.db2.gz ORALWOCFTSVJIX-YGRLFVJLSA-N 1 2 296.371 -1.031 20 0 CAADLO C[C@]1(C(=O)N[C@@H]2CCC[N@@H+](CC(N)=O)C2)CCNC(=O)C1 ZINC001007624676 657065884 /nfs/dbraw/zinc/06/58/84/657065884.db2.gz ORALWOCFTSVJIX-YGRLFVJLSA-N 1 2 296.371 -1.031 20 0 CAADLO CN1CC[C@@H](C(=O)N[C@@H]2CCC[N@H+](CC(N)=O)C2)CC1=O ZINC001007669900 657065895 /nfs/dbraw/zinc/06/58/95/657065895.db2.gz PCMJGHLOSLFQRZ-GHMZBOCLSA-N 1 2 296.371 -1.079 20 0 CAADLO CN1CC[C@@H](C(=O)N[C@@H]2CCC[N@@H+](CC(N)=O)C2)CC1=O ZINC001007669900 657065900 /nfs/dbraw/zinc/06/59/00/657065900.db2.gz PCMJGHLOSLFQRZ-GHMZBOCLSA-N 1 2 296.371 -1.079 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCCNC2=O)C1 ZINC001007536551 657065922 /nfs/dbraw/zinc/06/59/22/657065922.db2.gz YJWXAZQUXITOIT-UWVGGRQHSA-N 1 2 282.344 -1.422 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@H](NC(=O)[C@H]2CCCNC2=O)C1 ZINC001007536551 657065927 /nfs/dbraw/zinc/06/59/27/657065927.db2.gz YJWXAZQUXITOIT-UWVGGRQHSA-N 1 2 282.344 -1.422 20 0 CAADLO CCN1CCOC[C@@H]1C(=O)N[C@H]1CCC[N@H+](CC(N)=O)C1 ZINC001007704813 657066617 /nfs/dbraw/zinc/06/66/17/657066617.db2.gz KGCSSCAQGXVQNB-NWDGAFQWSA-N 1 2 298.387 -1.227 20 0 CAADLO CCN1CCOC[C@@H]1C(=O)N[C@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001007704813 657066621 /nfs/dbraw/zinc/06/66/21/657066621.db2.gz KGCSSCAQGXVQNB-NWDGAFQWSA-N 1 2 298.387 -1.227 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCC(=O)NC2)C1 ZINC001007737124 657067012 /nfs/dbraw/zinc/06/70/12/657067012.db2.gz JJCLQRPGTDUDDL-VHSXEESVSA-N 1 2 282.344 -1.422 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCC(=O)NC2)C1 ZINC001007737124 657067018 /nfs/dbraw/zinc/06/70/18/657067018.db2.gz JJCLQRPGTDUDDL-VHSXEESVSA-N 1 2 282.344 -1.422 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@H](NC(=O)CN2CCCNC2=O)C1 ZINC001007779529 657067785 /nfs/dbraw/zinc/06/77/85/657067785.db2.gz ZDQDQPTWWDVIBM-JTQLQIEISA-N 1 2 297.359 -1.532 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@H](NC(=O)CN2CCCNC2=O)C1 ZINC001007779529 657067792 /nfs/dbraw/zinc/06/77/92/657067792.db2.gz ZDQDQPTWWDVIBM-JTQLQIEISA-N 1 2 297.359 -1.532 20 0 CAADLO C[C@@]1(C(=O)N[C@@H]2CCC[N@H+](CC(N)=O)C2)CNC(=O)C1 ZINC001008035415 657068352 /nfs/dbraw/zinc/06/83/52/657068352.db2.gz KRRDKKQPWYVHKC-RNCFNFMXSA-N 1 2 282.344 -1.422 20 0 CAADLO C[C@@]1(C(=O)N[C@@H]2CCC[N@@H+](CC(N)=O)C2)CNC(=O)C1 ZINC001008035415 657068358 /nfs/dbraw/zinc/06/83/58/657068358.db2.gz KRRDKKQPWYVHKC-RNCFNFMXSA-N 1 2 282.344 -1.422 20 0 CAADLO CNC(=O)C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCNC2=O)C1 ZINC001008173547 657068936 /nfs/dbraw/zinc/06/89/36/657068936.db2.gz BBMSTNLENHPEQO-VHSXEESVSA-N 1 2 282.344 -1.551 20 0 CAADLO CNC(=O)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCNC2=O)C1 ZINC001008173547 657068940 /nfs/dbraw/zinc/06/89/40/657068940.db2.gz BBMSTNLENHPEQO-VHSXEESVSA-N 1 2 282.344 -1.551 20 0 CAADLO C[C@@]1(C(=O)N[C@H]2CCC[N@H+](CC(N)=O)C2)CNC(=O)C1 ZINC001008035417 657069045 /nfs/dbraw/zinc/06/90/45/657069045.db2.gz KRRDKKQPWYVHKC-ZANVPECISA-N 1 2 282.344 -1.422 20 0 CAADLO C[C@@]1(C(=O)N[C@H]2CCC[N@@H+](CC(N)=O)C2)CNC(=O)C1 ZINC001008035417 657069049 /nfs/dbraw/zinc/06/90/49/657069049.db2.gz KRRDKKQPWYVHKC-ZANVPECISA-N 1 2 282.344 -1.422 20 0 CAADLO CNC(=O)C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCC(=O)N2C)C1 ZINC001008201598 657069490 /nfs/dbraw/zinc/06/94/90/657069490.db2.gz DNEFRKUTXVUAAP-QWRGUYRKSA-N 1 2 296.371 -1.066 20 0 CAADLO CNC(=O)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCC(=O)N2C)C1 ZINC001008201598 657069495 /nfs/dbraw/zinc/06/94/95/657069495.db2.gz DNEFRKUTXVUAAP-QWRGUYRKSA-N 1 2 296.371 -1.066 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](NC(=O)c2nnn(C)n2)C1 ZINC001008216152 657069654 /nfs/dbraw/zinc/06/96/54/657069654.db2.gz VLILDLHHZBSCLK-BDAKNGLRSA-N 1 2 295.347 -1.461 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+]1CCC[C@H](NC(=O)c2nnn(C)n2)C1 ZINC001008216152 657069658 /nfs/dbraw/zinc/06/96/58/657069658.db2.gz VLILDLHHZBSCLK-BDAKNGLRSA-N 1 2 295.347 -1.461 20 0 CAADLO C[C@]1(C(=O)N[C@H]2CCC[N@H+](CC(N)=O)C2)CCC(=O)NC1 ZINC001008271461 657069753 /nfs/dbraw/zinc/06/97/53/657069753.db2.gz WARGBTGMXHKIOA-HZMBPMFUSA-N 1 2 296.371 -1.031 20 0 CAADLO C[C@]1(C(=O)N[C@H]2CCC[N@@H+](CC(N)=O)C2)CCC(=O)NC1 ZINC001008271461 657069760 /nfs/dbraw/zinc/06/97/60/657069760.db2.gz WARGBTGMXHKIOA-HZMBPMFUSA-N 1 2 296.371 -1.031 20 0 CAADLO CNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)c2c[nH]c(=O)cn2)C1 ZINC001008330713 657069870 /nfs/dbraw/zinc/06/98/70/657069870.db2.gz AKCMOWLHVTYSQV-SECBINFHSA-N 1 2 293.327 -1.290 20 0 CAADLO CNC(=O)C[N@H+]1CCC[C@@H](NC(=O)c2c[nH]c(=O)cn2)C1 ZINC001008330713 657069877 /nfs/dbraw/zinc/06/98/77/657069877.db2.gz AKCMOWLHVTYSQV-SECBINFHSA-N 1 2 293.327 -1.290 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CCC[C@@H](NC(=O)c2nnn(C)n2)C1 ZINC001008213653 657069890 /nfs/dbraw/zinc/06/98/90/657069890.db2.gz MHAAZNRXVFLCGO-JGVFFNPUSA-N 1 2 281.320 -1.722 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CCC[C@@H](NC(=O)c2nnn(C)n2)C1 ZINC001008213653 657069896 /nfs/dbraw/zinc/06/98/96/657069896.db2.gz MHAAZNRXVFLCGO-JGVFFNPUSA-N 1 2 281.320 -1.722 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CCC[C@H](NC(=O)c2nnn(C)n2)C1 ZINC001008213661 657069948 /nfs/dbraw/zinc/06/99/48/657069948.db2.gz MHAAZNRXVFLCGO-YUMQZZPRSA-N 1 2 281.320 -1.722 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CCC[C@H](NC(=O)c2nnn(C)n2)C1 ZINC001008213661 657069953 /nfs/dbraw/zinc/06/99/53/657069953.db2.gz MHAAZNRXVFLCGO-YUMQZZPRSA-N 1 2 281.320 -1.722 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CCC[C@H](NC(=O)c2c[nH]c(=O)cn2)C1 ZINC001008332528 657069966 /nfs/dbraw/zinc/06/99/66/657069966.db2.gz KNCOMIVMQDIFFP-BDAKNGLRSA-N 1 2 293.327 -1.162 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CCC[C@H](NC(=O)c2c[nH]c(=O)cn2)C1 ZINC001008332528 657069972 /nfs/dbraw/zinc/06/99/72/657069972.db2.gz KNCOMIVMQDIFFP-BDAKNGLRSA-N 1 2 293.327 -1.162 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCNC2=O)C1 ZINC001008175580 657070011 /nfs/dbraw/zinc/07/00/11/657070011.db2.gz GRWMANCTBVWEOT-BDAKNGLRSA-N 1 2 268.317 -1.812 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCNC2=O)C1 ZINC001008175580 657070018 /nfs/dbraw/zinc/07/00/18/657070018.db2.gz GRWMANCTBVWEOT-BDAKNGLRSA-N 1 2 268.317 -1.812 20 0 CAADLO CC1(C)CN(C(=O)C(N)=O)C[C@@H]1NC(=O)Cn1cc[nH+]c1 ZINC001008288253 657070102 /nfs/dbraw/zinc/07/01/02/657070102.db2.gz IPUORHNQBBBVAU-VIFPVBQESA-N 1 2 293.327 -1.278 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001008231535 657070116 /nfs/dbraw/zinc/07/01/16/657070116.db2.gz IEDCVLYHDJJYOY-SVDPJWKOSA-N 1 2 267.329 -1.055 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001008231535 657070125 /nfs/dbraw/zinc/07/01/25/657070125.db2.gz IEDCVLYHDJJYOY-SVDPJWKOSA-N 1 2 267.329 -1.055 20 0 CAADLO CNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC001008176341 657070471 /nfs/dbraw/zinc/07/04/71/657070471.db2.gz LXLNQJRMFZOLOI-ZJUUUORDSA-N 1 2 297.359 -1.663 20 0 CAADLO CNC(=O)C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC001008176341 657070477 /nfs/dbraw/zinc/07/04/77/657070477.db2.gz LXLNQJRMFZOLOI-ZJUUUORDSA-N 1 2 297.359 -1.663 20 0 CAADLO C[C@]1(C(=O)N[C@@H]2CCC[N@H+](CC(N)=O)C2)CCC(=O)NC1 ZINC001008271467 657070603 /nfs/dbraw/zinc/07/06/03/657070603.db2.gz WARGBTGMXHKIOA-YGRLFVJLSA-N 1 2 296.371 -1.031 20 0 CAADLO C[C@]1(C(=O)N[C@@H]2CCC[N@@H+](CC(N)=O)C2)CCC(=O)NC1 ZINC001008271467 657070607 /nfs/dbraw/zinc/07/06/07/657070607.db2.gz WARGBTGMXHKIOA-YGRLFVJLSA-N 1 2 296.371 -1.031 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CCC[C@@H](NC(=O)c2nnn(C)n2)C1 ZINC001008213646 657070670 /nfs/dbraw/zinc/07/06/70/657070670.db2.gz MHAAZNRXVFLCGO-HTQZYQBOSA-N 1 2 281.320 -1.722 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CCC[C@@H](NC(=O)c2nnn(C)n2)C1 ZINC001008213646 657070675 /nfs/dbraw/zinc/07/06/75/657070675.db2.gz MHAAZNRXVFLCGO-HTQZYQBOSA-N 1 2 281.320 -1.722 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCNC2=O)C1 ZINC001008175581 657070686 /nfs/dbraw/zinc/07/06/86/657070686.db2.gz GRWMANCTBVWEOT-DTWKUNHWSA-N 1 2 268.317 -1.812 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCNC2=O)C1 ZINC001008175581 657070689 /nfs/dbraw/zinc/07/06/89/657070689.db2.gz GRWMANCTBVWEOT-DTWKUNHWSA-N 1 2 268.317 -1.812 20 0 CAADLO CNC(=O)C[N@@H+]1CCC[C@H](NC(=O)c2c[nH]c(=O)cn2)C1 ZINC001008330715 657070720 /nfs/dbraw/zinc/07/07/20/657070720.db2.gz AKCMOWLHVTYSQV-VIFPVBQESA-N 1 2 293.327 -1.290 20 0 CAADLO CNC(=O)C[N@H+]1CCC[C@H](NC(=O)c2c[nH]c(=O)cn2)C1 ZINC001008330715 657070723 /nfs/dbraw/zinc/07/07/23/657070723.db2.gz AKCMOWLHVTYSQV-VIFPVBQESA-N 1 2 293.327 -1.290 20 0 CAADLO CC[C@H](C(N)=O)[N@@H+]1CCC[C@@H](NC(=O)c2nnn(C)n2)C1 ZINC001008232003 657070747 /nfs/dbraw/zinc/07/07/47/657070747.db2.gz QRGRUVNNRIWJDR-RKDXNWHRSA-N 1 2 295.347 -1.332 20 0 CAADLO CC[C@H](C(N)=O)[N@H+]1CCC[C@@H](NC(=O)c2nnn(C)n2)C1 ZINC001008232003 657070754 /nfs/dbraw/zinc/07/07/54/657070754.db2.gz QRGRUVNNRIWJDR-RKDXNWHRSA-N 1 2 295.347 -1.332 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](NC(=O)c2nnn(C)n2)C1 ZINC001008216157 657070824 /nfs/dbraw/zinc/07/08/24/657070824.db2.gz VLILDLHHZBSCLK-DTWKUNHWSA-N 1 2 295.347 -1.461 20 0 CAADLO CNC(=O)[C@H](C)[N@H+]1CCC[C@@H](NC(=O)c2nnn(C)n2)C1 ZINC001008216157 657070826 /nfs/dbraw/zinc/07/08/26/657070826.db2.gz VLILDLHHZBSCLK-DTWKUNHWSA-N 1 2 295.347 -1.461 20 0 CAADLO NC(=O)C(=O)N[C@H]1CCC[N@@H+]([C@H]2CCCNC2=O)C1 ZINC001008369613 657071308 /nfs/dbraw/zinc/07/13/08/657071308.db2.gz HCUXEMDWYHCWKV-IUCAKERBSA-N 1 2 268.317 -1.669 20 0 CAADLO NC(=O)C(=O)N[C@H]1CCC[N@H+]([C@H]2CCCNC2=O)C1 ZINC001008369613 657071314 /nfs/dbraw/zinc/07/13/14/657071314.db2.gz HCUXEMDWYHCWKV-IUCAKERBSA-N 1 2 268.317 -1.669 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](NC(=O)C(N)=O)C1 ZINC001008369507 657071457 /nfs/dbraw/zinc/07/14/57/657071457.db2.gz GACCPGZQCFYAJR-SFYZADRCSA-N 1 2 256.306 -1.813 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+]1CCC[C@H](NC(=O)C(N)=O)C1 ZINC001008369507 657071461 /nfs/dbraw/zinc/07/14/61/657071461.db2.gz GACCPGZQCFYAJR-SFYZADRCSA-N 1 2 256.306 -1.813 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001008362453 657071616 /nfs/dbraw/zinc/07/16/16/657071616.db2.gz ABGYDQRREKDBPV-HTQZYQBOSA-N 1 2 269.305 -2.266 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@@H](NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001008362453 657071624 /nfs/dbraw/zinc/07/16/24/657071624.db2.gz ABGYDQRREKDBPV-HTQZYQBOSA-N 1 2 269.305 -2.266 20 0 CAADLO CC[C@@H](C(N)=O)[N@@H+]1CCC[C@@H](NC(=O)C(N)=O)C1 ZINC001008374038 657071666 /nfs/dbraw/zinc/07/16/66/657071666.db2.gz BAPXUKVGMSPZDY-SFYZADRCSA-N 1 2 256.306 -1.684 20 0 CAADLO CC[C@@H](C(N)=O)[N@H+]1CCC[C@@H](NC(=O)C(N)=O)C1 ZINC001008374038 657071669 /nfs/dbraw/zinc/07/16/69/657071669.db2.gz BAPXUKVGMSPZDY-SFYZADRCSA-N 1 2 256.306 -1.684 20 0 CAADLO CCN1CC[C@@H]([N@@H+]2CCC[C@H](NC(=O)C(N)=O)C2)C1=O ZINC001008368513 657071764 /nfs/dbraw/zinc/07/17/64/657071764.db2.gz BDKXVGJVTMMEOE-VHSXEESVSA-N 1 2 282.344 -1.327 20 0 CAADLO CCN1CC[C@@H]([N@H+]2CCC[C@H](NC(=O)C(N)=O)C2)C1=O ZINC001008368513 657071769 /nfs/dbraw/zinc/07/17/69/657071769.db2.gz BDKXVGJVTMMEOE-VHSXEESVSA-N 1 2 282.344 -1.327 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CCC[C@H](NC(=O)c2c[nH]c(=O)cn2)C1 ZINC001008332536 657071792 /nfs/dbraw/zinc/07/17/92/657071792.db2.gz KNCOMIVMQDIFFP-IUCAKERBSA-N 1 2 293.327 -1.162 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CCC[C@H](NC(=O)c2c[nH]c(=O)cn2)C1 ZINC001008332536 657071795 /nfs/dbraw/zinc/07/17/95/657071795.db2.gz KNCOMIVMQDIFFP-IUCAKERBSA-N 1 2 293.327 -1.162 20 0 CAADLO CCN1CC[C@@H]([N@@H+]2CCC[C@@H](NC(=O)C(N)=O)C2)C1=O ZINC001008368511 657071892 /nfs/dbraw/zinc/07/18/92/657071892.db2.gz BDKXVGJVTMMEOE-NXEZZACHSA-N 1 2 282.344 -1.327 20 0 CAADLO CCN1CC[C@@H]([N@H+]2CCC[C@@H](NC(=O)C(N)=O)C2)C1=O ZINC001008368511 657071895 /nfs/dbraw/zinc/07/18/95/657071895.db2.gz BDKXVGJVTMMEOE-NXEZZACHSA-N 1 2 282.344 -1.327 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](NC(=O)C(N)=O)C1 ZINC001008369505 657072007 /nfs/dbraw/zinc/07/20/07/657072007.db2.gz GACCPGZQCFYAJR-JGVFFNPUSA-N 1 2 256.306 -1.813 20 0 CAADLO CNC(=O)[C@H](C)[N@H+]1CCC[C@@H](NC(=O)C(N)=O)C1 ZINC001008369505 657072012 /nfs/dbraw/zinc/07/20/12/657072012.db2.gz GACCPGZQCFYAJR-JGVFFNPUSA-N 1 2 256.306 -1.813 20 0 CAADLO CCN1CC[C@H]([N@@H+]2CCC[C@H](NC(=O)C(N)=O)C2)C1=O ZINC001008368512 657072039 /nfs/dbraw/zinc/07/20/39/657072039.db2.gz BDKXVGJVTMMEOE-UWVGGRQHSA-N 1 2 282.344 -1.327 20 0 CAADLO CCN1CC[C@H]([N@H+]2CCC[C@H](NC(=O)C(N)=O)C2)C1=O ZINC001008368512 657072042 /nfs/dbraw/zinc/07/20/42/657072042.db2.gz BDKXVGJVTMMEOE-UWVGGRQHSA-N 1 2 282.344 -1.327 20 0 CAADLO Cn1c[nH+]cc1CN1CCC[C@H](NC(=O)C(N)=O)C1 ZINC001008363560 657072051 /nfs/dbraw/zinc/07/20/51/657072051.db2.gz DZRCOCNJQFPOFN-VIFPVBQESA-N 1 2 265.317 -1.014 20 0 CAADLO NC(=O)C(=O)N[C@H]1CCC[N@H+](CC(=O)N2CCC2)C1 ZINC001008363115 657072067 /nfs/dbraw/zinc/07/20/67/657072067.db2.gz DCXTYZUOEFMAKU-VIFPVBQESA-N 1 2 268.317 -1.715 20 0 CAADLO NC(=O)C(=O)N[C@H]1CCC[N@@H+](CC(=O)N2CCC2)C1 ZINC001008363115 657072069 /nfs/dbraw/zinc/07/20/69/657072069.db2.gz DCXTYZUOEFMAKU-VIFPVBQESA-N 1 2 268.317 -1.715 20 0 CAADLO CC[C@@H](C(N)=O)[N@@H+]1CCC[C@H](NC(=O)C(N)=O)C1 ZINC001008374039 657072115 /nfs/dbraw/zinc/07/21/15/657072115.db2.gz BAPXUKVGMSPZDY-YUMQZZPRSA-N 1 2 256.306 -1.684 20 0 CAADLO CC[C@@H](C(N)=O)[N@H+]1CCC[C@H](NC(=O)C(N)=O)C1 ZINC001008374039 657072116 /nfs/dbraw/zinc/07/21/16/657072116.db2.gz BAPXUKVGMSPZDY-YUMQZZPRSA-N 1 2 256.306 -1.684 20 0 CAADLO NC(=O)C(=O)N[C@H]1CCC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001008385315 657072643 /nfs/dbraw/zinc/07/26/43/657072643.db2.gz PJUQRUYZOPNKME-JGVFFNPUSA-N 1 2 254.290 -2.059 20 0 CAADLO NC(=O)C(=O)N[C@H]1CCC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001008385315 657072649 /nfs/dbraw/zinc/07/26/49/657072649.db2.gz PJUQRUYZOPNKME-JGVFFNPUSA-N 1 2 254.290 -2.059 20 0 CAADLO Cn1cc(C(=O)N[C@H]2CCC[N@H+](CC(N)=O)C2)[nH]c1=O ZINC001008422926 657073428 /nfs/dbraw/zinc/07/34/28/657073428.db2.gz PPDMCACMQDPVOP-QMMMGPOBSA-N 1 2 281.316 -1.195 20 0 CAADLO Cn1cc(C(=O)N[C@H]2CCC[N@@H+](CC(N)=O)C2)[nH]c1=O ZINC001008422926 657073433 /nfs/dbraw/zinc/07/34/33/657073433.db2.gz PPDMCACMQDPVOP-QMMMGPOBSA-N 1 2 281.316 -1.195 20 0 CAADLO CN1CC[C@H]([N@@H+]2CCC[C@@H](NC(=O)C(N)=O)C2)C1=O ZINC001008379354 657073506 /nfs/dbraw/zinc/07/35/06/657073506.db2.gz OSLURKORQHIFSX-BDAKNGLRSA-N 1 2 268.317 -1.717 20 0 CAADLO CN1CC[C@H]([N@H+]2CCC[C@@H](NC(=O)C(N)=O)C2)C1=O ZINC001008379354 657073510 /nfs/dbraw/zinc/07/35/10/657073510.db2.gz OSLURKORQHIFSX-BDAKNGLRSA-N 1 2 268.317 -1.717 20 0 CAADLO C[C@@]1(C(=O)N[C@@H]2CCC[N@H+](CC(N)=O)C2)CCNC1=O ZINC001008509403 657074367 /nfs/dbraw/zinc/07/43/67/657074367.db2.gz AKPVDIAALNKBGF-NOZJJQNGSA-N 1 2 282.344 -1.422 20 0 CAADLO C[C@@]1(C(=O)N[C@@H]2CCC[N@@H+](CC(N)=O)C2)CCNC1=O ZINC001008509403 657074372 /nfs/dbraw/zinc/07/43/72/657074372.db2.gz AKPVDIAALNKBGF-NOZJJQNGSA-N 1 2 282.344 -1.422 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001008509549 657074712 /nfs/dbraw/zinc/07/47/12/657074712.db2.gz MANJPCVLLRUZSX-LPEHRKFASA-N 1 2 298.343 -1.915 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001008509549 657074716 /nfs/dbraw/zinc/07/47/16/657074716.db2.gz MANJPCVLLRUZSX-LPEHRKFASA-N 1 2 298.343 -1.915 20 0 CAADLO C[C@]1(C(=O)N[C@@H]2CCC[N@H+](CC(N)=O)C2)CCNC1=O ZINC001008509433 657074731 /nfs/dbraw/zinc/07/47/31/657074731.db2.gz AKPVDIAALNKBGF-RNCFNFMXSA-N 1 2 282.344 -1.422 20 0 CAADLO C[C@]1(C(=O)N[C@@H]2CCC[N@@H+](CC(N)=O)C2)CCNC1=O ZINC001008509433 657074738 /nfs/dbraw/zinc/07/47/38/657074738.db2.gz AKPVDIAALNKBGF-RNCFNFMXSA-N 1 2 282.344 -1.422 20 0 CAADLO CNC(=O)C[N@@H+]1CCC[C@H](NC(=O)[C@]2(C)CCNC2=O)C1 ZINC001008511824 657074968 /nfs/dbraw/zinc/07/49/68/657074968.db2.gz CYYIDUZBQJQYIR-IINYFYTJSA-N 1 2 296.371 -1.161 20 0 CAADLO CNC(=O)C[N@H+]1CCC[C@H](NC(=O)[C@]2(C)CCNC2=O)C1 ZINC001008511824 657074971 /nfs/dbraw/zinc/07/49/71/657074971.db2.gz CYYIDUZBQJQYIR-IINYFYTJSA-N 1 2 296.371 -1.161 20 0 CAADLO CC1(C)CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1NC(=O)C(N)=O ZINC001008528722 657075740 /nfs/dbraw/zinc/07/57/40/657075740.db2.gz SHFRIIJNQBWZEW-VIFPVBQESA-N 1 2 293.327 -1.209 20 0 CAADLO CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1CCC[N@H+](CC(N)=O)C1 ZINC001008549220 657075944 /nfs/dbraw/zinc/07/59/44/657075944.db2.gz AZGHMLUNMDCMGH-OUAUKWLOSA-N 1 2 296.371 -1.223 20 0 CAADLO CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001008549220 657075949 /nfs/dbraw/zinc/07/59/49/657075949.db2.gz AZGHMLUNMDCMGH-OUAUKWLOSA-N 1 2 296.371 -1.223 20 0 CAADLO CC1(C)CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1NC(=O)C(N)=O ZINC001008537125 657075990 /nfs/dbraw/zinc/07/59/90/657075990.db2.gz IIAWGUFQYBEGKG-VIFPVBQESA-N 1 2 293.327 -1.278 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001008553097 657076027 /nfs/dbraw/zinc/07/60/27/657076027.db2.gz CPESADQMXUENHX-HLTSFMKQSA-N 1 2 268.317 -1.826 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@@H](NC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001008553097 657076029 /nfs/dbraw/zinc/07/60/29/657076029.db2.gz CPESADQMXUENHX-HLTSFMKQSA-N 1 2 268.317 -1.826 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001008704710 657076271 /nfs/dbraw/zinc/07/62/71/657076271.db2.gz LFZXDZDKJLMZJX-YUMQZZPRSA-N 1 2 297.315 -2.350 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001008704710 657076274 /nfs/dbraw/zinc/07/62/74/657076274.db2.gz LFZXDZDKJLMZJX-YUMQZZPRSA-N 1 2 297.315 -2.350 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CCC[C@H](NC(=O)c2cnn(C)n2)C1 ZINC001008849097 657076392 /nfs/dbraw/zinc/07/63/92/657076392.db2.gz PEAIYXCYKKSCJM-BDAKNGLRSA-N 1 2 280.332 -1.117 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CCC[C@H](NC(=O)c2cnn(C)n2)C1 ZINC001008849097 657076398 /nfs/dbraw/zinc/07/63/98/657076398.db2.gz PEAIYXCYKKSCJM-BDAKNGLRSA-N 1 2 280.332 -1.117 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CCC[C@@H](NC(=O)c2cnn(C)n2)C1 ZINC001008849103 657076414 /nfs/dbraw/zinc/07/64/14/657076414.db2.gz PEAIYXCYKKSCJM-RKDXNWHRSA-N 1 2 280.332 -1.117 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CCC[C@@H](NC(=O)c2cnn(C)n2)C1 ZINC001008849103 657076421 /nfs/dbraw/zinc/07/64/21/657076421.db2.gz PEAIYXCYKKSCJM-RKDXNWHRSA-N 1 2 280.332 -1.117 20 0 CAADLO CNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)C[C@H]2CCC(=O)N2)C1 ZINC001008837812 657076477 /nfs/dbraw/zinc/07/64/77/657076477.db2.gz CQKHUDTZHYEGHS-GHMZBOCLSA-N 1 2 296.371 -1.018 20 0 CAADLO CNC(=O)C[N@H+]1CCC[C@@H](NC(=O)C[C@H]2CCC(=O)N2)C1 ZINC001008837812 657076479 /nfs/dbraw/zinc/07/64/79/657076479.db2.gz CQKHUDTZHYEGHS-GHMZBOCLSA-N 1 2 296.371 -1.018 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@@H](NC(=O)c2cc(C(N)=O)c[nH]2)C1 ZINC001008998125 657077121 /nfs/dbraw/zinc/07/71/21/657077121.db2.gz ZNJCHJIGWGNZRY-SECBINFHSA-N 1 2 293.327 -1.207 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@@H](NC(=O)c2cc(C(N)=O)c[nH]2)C1 ZINC001008998125 657077129 /nfs/dbraw/zinc/07/71/29/657077129.db2.gz ZNJCHJIGWGNZRY-SECBINFHSA-N 1 2 293.327 -1.207 20 0 CAADLO CNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)Cc2nc[nH]n2)C1 ZINC001009129467 657078253 /nfs/dbraw/zinc/07/82/53/657078253.db2.gz HAEVNPKIPUKRBD-SECBINFHSA-N 1 2 280.332 -1.326 20 0 CAADLO CNC(=O)C[N@H+]1CCC[C@@H](NC(=O)Cc2nc[nH]n2)C1 ZINC001009129467 657078256 /nfs/dbraw/zinc/07/82/56/657078256.db2.gz HAEVNPKIPUKRBD-SECBINFHSA-N 1 2 280.332 -1.326 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CCC[C@H](NC(=O)Cc2nc[nH]n2)C1 ZINC001009135442 657078729 /nfs/dbraw/zinc/07/87/29/657078729.db2.gz ZHAUFEWGHHXKPT-IUCAKERBSA-N 1 2 280.332 -1.198 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CCC[C@H](NC(=O)Cc2nc[nH]n2)C1 ZINC001009135442 657078735 /nfs/dbraw/zinc/07/87/35/657078735.db2.gz ZHAUFEWGHHXKPT-IUCAKERBSA-N 1 2 280.332 -1.198 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CCC[C@@H](NC(=O)Cc2nc[nH]n2)C1 ZINC001009135441 657078850 /nfs/dbraw/zinc/07/88/50/657078850.db2.gz ZHAUFEWGHHXKPT-DTWKUNHWSA-N 1 2 280.332 -1.198 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CCC[C@@H](NC(=O)Cc2nc[nH]n2)C1 ZINC001009135441 657078853 /nfs/dbraw/zinc/07/88/53/657078853.db2.gz ZHAUFEWGHHXKPT-DTWKUNHWSA-N 1 2 280.332 -1.198 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001009262434 657079570 /nfs/dbraw/zinc/07/95/70/657079570.db2.gz GUSYQDDPUSEDKJ-BDAKNGLRSA-N 1 2 268.317 -1.669 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001009262434 657079573 /nfs/dbraw/zinc/07/95/73/657079573.db2.gz GUSYQDDPUSEDKJ-BDAKNGLRSA-N 1 2 268.317 -1.669 20 0 CAADLO CC(=O)N1CC[C@H](C(=O)N[C@@H]2CCC[N@H+](CC(N)=O)C2)C1 ZINC001009363152 657079689 /nfs/dbraw/zinc/07/96/89/657079689.db2.gz QCHMYMKDAZBZTM-NWDGAFQWSA-N 1 2 296.371 -1.079 20 0 CAADLO CC(=O)N1CC[C@H](C(=O)N[C@@H]2CCC[N@@H+](CC(N)=O)C2)C1 ZINC001009363152 657079690 /nfs/dbraw/zinc/07/96/90/657079690.db2.gz QCHMYMKDAZBZTM-NWDGAFQWSA-N 1 2 296.371 -1.079 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@@H](NC(=O)Cn2ccccc2=O)C1 ZINC001009472769 657080186 /nfs/dbraw/zinc/08/01/86/657080186.db2.gz WNYBIAMZIASSOC-LLVKDONJSA-N 1 2 292.339 -1.086 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@@H](NC(=O)Cn2ccccc2=O)C1 ZINC001009472769 657080192 /nfs/dbraw/zinc/08/01/92/657080192.db2.gz WNYBIAMZIASSOC-LLVKDONJSA-N 1 2 292.339 -1.086 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@H](NC(=O)CN2C(=O)CNC2=O)C1 ZINC001009464307 657080837 /nfs/dbraw/zinc/08/08/37/657080837.db2.gz ZRZDUQQAUILSDB-QMMMGPOBSA-N 1 2 297.315 -2.396 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@H](NC(=O)CN2C(=O)CNC2=O)C1 ZINC001009464307 657080845 /nfs/dbraw/zinc/08/08/45/657080845.db2.gz ZRZDUQQAUILSDB-QMMMGPOBSA-N 1 2 297.315 -2.396 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@H](NC(=O)c2c[nH]c(C(N)=O)c2)C1 ZINC001009541775 657081654 /nfs/dbraw/zinc/08/16/54/657081654.db2.gz OXRRMKMAILRSCA-VIFPVBQESA-N 1 2 293.327 -1.207 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@H](NC(=O)c2c[nH]c(C(N)=O)c2)C1 ZINC001009541775 657081658 /nfs/dbraw/zinc/08/16/58/657081658.db2.gz OXRRMKMAILRSCA-VIFPVBQESA-N 1 2 293.327 -1.207 20 0 CAADLO NC(=O)CN1CCC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001009705490 657082291 /nfs/dbraw/zinc/08/22/91/657082291.db2.gz CJYMGJRZXPIARH-JTQLQIEISA-N 1 2 265.317 -1.051 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@@H](NC(=O)c2c[nH]c(C(N)=O)c2)C1 ZINC001009541774 657082342 /nfs/dbraw/zinc/08/23/42/657082342.db2.gz OXRRMKMAILRSCA-SECBINFHSA-N 1 2 293.327 -1.207 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@@H](NC(=O)c2c[nH]c(C(N)=O)c2)C1 ZINC001009541774 657082345 /nfs/dbraw/zinc/08/23/45/657082345.db2.gz OXRRMKMAILRSCA-SECBINFHSA-N 1 2 293.327 -1.207 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cc[n+]([O-])cc2)C1 ZINC001010020405 657083024 /nfs/dbraw/zinc/08/30/24/657083024.db2.gz ARPACUTXCDCNIE-SNVBAGLBSA-N 1 2 264.285 -1.391 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cc[n+]([O-])cc2)C1 ZINC001010020405 657083028 /nfs/dbraw/zinc/08/30/28/657083028.db2.gz ARPACUTXCDCNIE-SNVBAGLBSA-N 1 2 264.285 -1.391 20 0 CAADLO C[C@@H](C(=O)N[C@H]1CCC[N@H+](CC(N)=O)C1)N1CCOCC1 ZINC001009765307 657083062 /nfs/dbraw/zinc/08/30/62/657083062.db2.gz XPDDDZPFKUFWLA-RYUDHWBXSA-N 1 2 298.387 -1.227 20 0 CAADLO C[C@@H](C(=O)N[C@H]1CCC[N@@H+](CC(N)=O)C1)N1CCOCC1 ZINC001009765307 657083065 /nfs/dbraw/zinc/08/30/65/657083065.db2.gz XPDDDZPFKUFWLA-RYUDHWBXSA-N 1 2 298.387 -1.227 20 0 CAADLO CCC(=O)N[C@@H]1CC[N@H+](CC(=O)N2CCNC(=O)C2)C1 ZINC001009813027 657083142 /nfs/dbraw/zinc/08/31/42/657083142.db2.gz GWHAXMBWLRBZIG-SNVBAGLBSA-N 1 2 282.344 -1.455 20 0 CAADLO CCC(=O)N[C@@H]1CC[N@@H+](CC(=O)N2CCNC(=O)C2)C1 ZINC001009813027 657083148 /nfs/dbraw/zinc/08/31/48/657083148.db2.gz GWHAXMBWLRBZIG-SNVBAGLBSA-N 1 2 282.344 -1.455 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)c2cc[n+]([O-])cc2)C1 ZINC001010006850 657083238 /nfs/dbraw/zinc/08/32/38/657083238.db2.gz SYLGSWUIQUKLBM-KOLCDFICSA-N 1 2 278.312 -1.002 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)c2cc[n+]([O-])cc2)C1 ZINC001010006850 657083246 /nfs/dbraw/zinc/08/32/46/657083246.db2.gz SYLGSWUIQUKLBM-KOLCDFICSA-N 1 2 278.312 -1.002 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)c2cc[n+]([O-])cc2)C1 ZINC001010006852 657083419 /nfs/dbraw/zinc/08/34/19/657083419.db2.gz SYLGSWUIQUKLBM-MWLCHTKSSA-N 1 2 278.312 -1.002 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)c2cc[n+]([O-])cc2)C1 ZINC001010006852 657083424 /nfs/dbraw/zinc/08/34/24/657083424.db2.gz SYLGSWUIQUKLBM-MWLCHTKSSA-N 1 2 278.312 -1.002 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)c2cc[n+]([O-])cc2)C1 ZINC001010006846 657083546 /nfs/dbraw/zinc/08/35/46/657083546.db2.gz SYLGSWUIQUKLBM-GXSJLCMTSA-N 1 2 278.312 -1.002 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)c2cc[n+]([O-])cc2)C1 ZINC001010006846 657083554 /nfs/dbraw/zinc/08/35/54/657083554.db2.gz SYLGSWUIQUKLBM-GXSJLCMTSA-N 1 2 278.312 -1.002 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ccc(=O)[nH]n2)C1 ZINC001010040343 657084016 /nfs/dbraw/zinc/08/40/16/657084016.db2.gz XKIPDOJFVTZSDS-SSDOTTSWSA-N 1 2 265.273 -1.528 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)c2ccc(=O)[nH]n2)C1 ZINC001010040343 657084022 /nfs/dbraw/zinc/08/40/22/657084022.db2.gz XKIPDOJFVTZSDS-SSDOTTSWSA-N 1 2 265.273 -1.528 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)CN2CCCC2=O)C1 ZINC001010075297 657084864 /nfs/dbraw/zinc/08/48/64/657084864.db2.gz CCPRDDJUERBCAO-JTQLQIEISA-N 1 2 282.344 -1.455 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)CN2CCCC2=O)C1 ZINC001010075297 657084870 /nfs/dbraw/zinc/08/48/70/657084870.db2.gz CCPRDDJUERBCAO-JTQLQIEISA-N 1 2 282.344 -1.455 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cn2cnnn2)C1 ZINC001010107997 657084921 /nfs/dbraw/zinc/08/49/21/657084921.db2.gz PLFFBCYQGJBZQX-SSDOTTSWSA-N 1 2 253.266 -2.651 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)Cn2cnnn2)C1 ZINC001010107997 657084923 /nfs/dbraw/zinc/08/49/23/657084923.db2.gz PLFFBCYQGJBZQX-SSDOTTSWSA-N 1 2 253.266 -2.651 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2COCCO2)C1 ZINC001010249154 657086668 /nfs/dbraw/zinc/08/66/68/657086668.db2.gz BTSIFYGUQHTVQE-UWVGGRQHSA-N 1 2 271.317 -1.662 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H]2COCCO2)C1 ZINC001010249154 657086669 /nfs/dbraw/zinc/08/66/69/657086669.db2.gz BTSIFYGUQHTVQE-UWVGGRQHSA-N 1 2 271.317 -1.662 20 0 CAADLO CC(C)C(=O)N[C@@H]1CC[N@H+](CC(=O)N2CCNC(=O)C2)C1 ZINC001010224493 657086797 /nfs/dbraw/zinc/08/67/97/657086797.db2.gz IHYFOVFMYDVKMD-LLVKDONJSA-N 1 2 296.371 -1.209 20 0 CAADLO CC(C)C(=O)N[C@@H]1CC[N@@H+](CC(=O)N2CCNC(=O)C2)C1 ZINC001010224493 657086805 /nfs/dbraw/zinc/08/68/05/657086805.db2.gz IHYFOVFMYDVKMD-LLVKDONJSA-N 1 2 296.371 -1.209 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cn[nH]c2)C1 ZINC001010297008 657087883 /nfs/dbraw/zinc/08/78/83/657087883.db2.gz FGJLNIMIMAHXSM-VIFPVBQESA-N 1 2 251.290 -1.040 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cn[nH]c2)C1 ZINC001010297008 657087887 /nfs/dbraw/zinc/08/78/87/657087887.db2.gz FGJLNIMIMAHXSM-VIFPVBQESA-N 1 2 251.290 -1.040 20 0 CAADLO Cn1nncc1C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2COCCO2)C1 ZINC001010258515 657088339 /nfs/dbraw/zinc/08/83/39/657088339.db2.gz UJGZCJHWIRGHRI-PWSUYJOCSA-N 1 2 295.343 -1.079 20 0 CAADLO Cn1nncc1C[N@H+]1CC[C@@H](NC(=O)[C@@H]2COCCO2)C1 ZINC001010258515 657088345 /nfs/dbraw/zinc/08/83/45/657088345.db2.gz UJGZCJHWIRGHRI-PWSUYJOCSA-N 1 2 295.343 -1.079 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2ccnn2C)C1 ZINC001010358548 657088988 /nfs/dbraw/zinc/08/89/88/657088988.db2.gz QXOAFDSHHHIDCO-VIFPVBQESA-N 1 2 265.317 -1.030 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)c2ccnn2C)C1 ZINC001010358548 657088997 /nfs/dbraw/zinc/08/89/97/657088997.db2.gz QXOAFDSHHHIDCO-VIFPVBQESA-N 1 2 265.317 -1.030 20 0 CAADLO Cn1nccc1C(=O)N[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001010361247 657089530 /nfs/dbraw/zinc/08/95/30/657089530.db2.gz MCTBYAJZPWFCSA-QMMMGPOBSA-N 1 2 251.290 -1.291 20 0 CAADLO Cn1nccc1C(=O)N[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001010361247 657089534 /nfs/dbraw/zinc/08/95/34/657089534.db2.gz MCTBYAJZPWFCSA-QMMMGPOBSA-N 1 2 251.290 -1.291 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)c2nccnc2N)C1 ZINC001010384185 657089554 /nfs/dbraw/zinc/08/95/54/657089554.db2.gz KRQBABUPYBPKIM-YUMQZZPRSA-N 1 2 278.316 -1.263 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)c2nccnc2N)C1 ZINC001010384185 657089558 /nfs/dbraw/zinc/08/95/58/657089558.db2.gz KRQBABUPYBPKIM-YUMQZZPRSA-N 1 2 278.316 -1.263 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)Cc2cnn(C)c2)C1 ZINC001010365381 657089597 /nfs/dbraw/zinc/08/95/97/657089597.db2.gz TYWRFYKSTYZTLN-NSHDSACASA-N 1 2 279.344 -1.101 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)Cc2cnn(C)c2)C1 ZINC001010365381 657089599 /nfs/dbraw/zinc/08/95/99/657089599.db2.gz TYWRFYKSTYZTLN-NSHDSACASA-N 1 2 279.344 -1.101 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCC(=O)N2)C1 ZINC001010381629 657089667 /nfs/dbraw/zinc/08/96/67/657089667.db2.gz VDCNSNHNXGLPPJ-HTQZYQBOSA-N 1 2 254.290 -2.059 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CCC(=O)N2)C1 ZINC001010381629 657089672 /nfs/dbraw/zinc/08/96/72/657089672.db2.gz VDCNSNHNXGLPPJ-HTQZYQBOSA-N 1 2 254.290 -2.059 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC(=O)N2)C1 ZINC001010381630 657089729 /nfs/dbraw/zinc/08/97/29/657089729.db2.gz VDCNSNHNXGLPPJ-JGVFFNPUSA-N 1 2 254.290 -2.059 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCC(=O)N2)C1 ZINC001010381630 657089736 /nfs/dbraw/zinc/08/97/36/657089736.db2.gz VDCNSNHNXGLPPJ-JGVFFNPUSA-N 1 2 254.290 -2.059 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)Cc2ccon2)C1 ZINC001010388713 657089852 /nfs/dbraw/zinc/08/98/52/657089852.db2.gz YAFAJBRHTVSGLN-VIFPVBQESA-N 1 2 252.274 -1.107 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)Cc2ccon2)C1 ZINC001010388713 657089856 /nfs/dbraw/zinc/08/98/56/657089856.db2.gz YAFAJBRHTVSGLN-VIFPVBQESA-N 1 2 252.274 -1.107 20 0 CAADLO Cc1cnn(CC(=O)N[C@@H]2CC[N@H+](CC(N)=O)C2)c1 ZINC001010333362 657089891 /nfs/dbraw/zinc/08/98/91/657089891.db2.gz FSNKTIAVYLCGTH-SNVBAGLBSA-N 1 2 265.317 -1.133 20 0 CAADLO Cc1cnn(CC(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C2)c1 ZINC001010333362 657089896 /nfs/dbraw/zinc/08/98/96/657089896.db2.gz FSNKTIAVYLCGTH-SNVBAGLBSA-N 1 2 265.317 -1.133 20 0 CAADLO O=C(C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCC(=O)N2)C1)NC1CC1 ZINC001010381936 657089970 /nfs/dbraw/zinc/08/99/70/657089970.db2.gz YJBGQEYJGYLQPA-GHMZBOCLSA-N 1 2 294.355 -1.266 20 0 CAADLO O=C(C[N@H+]1CC[C@@H](NC(=O)[C@H]2CCC(=O)N2)C1)NC1CC1 ZINC001010381936 657089972 /nfs/dbraw/zinc/08/99/72/657089972.db2.gz YJBGQEYJGYLQPA-GHMZBOCLSA-N 1 2 294.355 -1.266 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ccnn2C)C1 ZINC001010358547 657089981 /nfs/dbraw/zinc/08/99/81/657089981.db2.gz QXOAFDSHHHIDCO-SECBINFHSA-N 1 2 265.317 -1.030 20 0 CAADLO Cc1cnn(CC(=O)N[C@H]2CC[N@H+](CC(N)=O)C2)c1 ZINC001010333361 657090083 /nfs/dbraw/zinc/09/00/83/657090083.db2.gz FSNKTIAVYLCGTH-JTQLQIEISA-N 1 2 265.317 -1.133 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2ccnn2C)C1 ZINC001010358547 657089987 /nfs/dbraw/zinc/08/99/87/657089987.db2.gz QXOAFDSHHHIDCO-SECBINFHSA-N 1 2 265.317 -1.030 20 0 CAADLO Cc1cnn(CC(=O)N[C@H]2CC[N@@H+](CC(N)=O)C2)c1 ZINC001010333361 657090089 /nfs/dbraw/zinc/09/00/89/657090089.db2.gz FSNKTIAVYLCGTH-JTQLQIEISA-N 1 2 265.317 -1.133 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2nnn(C)c2C)C1 ZINC001010409304 657090325 /nfs/dbraw/zinc/09/03/25/657090325.db2.gz BNKUQNYNQHKMME-VIFPVBQESA-N 1 2 280.332 -1.326 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)c2nnn(C)c2C)C1 ZINC001010409304 657090329 /nfs/dbraw/zinc/09/03/29/657090329.db2.gz BNKUQNYNQHKMME-VIFPVBQESA-N 1 2 280.332 -1.326 20 0 CAADLO Cc1cc(CC(=O)N[C@@H]2CC[N@H+](CC(N)=O)C2)[nH]n1 ZINC001010534382 657091131 /nfs/dbraw/zinc/09/11/31/657091131.db2.gz KGCKDIPRNWPVOE-SECBINFHSA-N 1 2 265.317 -1.064 20 0 CAADLO Cc1cc(CC(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C2)[nH]n1 ZINC001010534382 657091136 /nfs/dbraw/zinc/09/11/36/657091136.db2.gz KGCKDIPRNWPVOE-SECBINFHSA-N 1 2 265.317 -1.064 20 0 CAADLO Cc1cc(CC(=O)N[C@@H]2CC[N@H+](CC(N)=O)C2)n[nH]1 ZINC001010534382 657091139 /nfs/dbraw/zinc/09/11/39/657091139.db2.gz KGCKDIPRNWPVOE-SECBINFHSA-N 1 2 265.317 -1.064 20 0 CAADLO Cc1cc(CC(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C2)n[nH]1 ZINC001010534382 657091146 /nfs/dbraw/zinc/09/11/46/657091146.db2.gz KGCKDIPRNWPVOE-SECBINFHSA-N 1 2 265.317 -1.064 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+]1CC[C@H](NC(=O)c2nccnc2N)C1 ZINC001010392794 657091380 /nfs/dbraw/zinc/09/13/80/657091380.db2.gz LHVXVCAMXULTGS-BDAKNGLRSA-N 1 2 292.343 -1.003 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+]1CC[C@H](NC(=O)c2nccnc2N)C1 ZINC001010392794 657091384 /nfs/dbraw/zinc/09/13/84/657091384.db2.gz LHVXVCAMXULTGS-BDAKNGLRSA-N 1 2 292.343 -1.003 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCNC(=O)C2)C1 ZINC001010546184 657092140 /nfs/dbraw/zinc/09/21/40/657092140.db2.gz OTYKYIHSKOYAAY-RKDXNWHRSA-N 1 2 268.317 -1.812 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCNC(=O)C2)C1 ZINC001010546184 657092144 /nfs/dbraw/zinc/09/21/44/657092144.db2.gz OTYKYIHSKOYAAY-RKDXNWHRSA-N 1 2 268.317 -1.812 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCNC(=O)C2)C1 ZINC001010546180 657092533 /nfs/dbraw/zinc/09/25/33/657092533.db2.gz OTYKYIHSKOYAAY-IUCAKERBSA-N 1 2 268.317 -1.812 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCNC(=O)C2)C1 ZINC001010546180 657092539 /nfs/dbraw/zinc/09/25/39/657092539.db2.gz OTYKYIHSKOYAAY-IUCAKERBSA-N 1 2 268.317 -1.812 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CN2CCOCC2)C1 ZINC001010661342 657092659 /nfs/dbraw/zinc/09/26/59/657092659.db2.gz DOXVDCTYCKJHFU-LLVKDONJSA-N 1 2 284.360 -1.745 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)CN2CCOCC2)C1 ZINC001010661342 657092667 /nfs/dbraw/zinc/09/26/67/657092667.db2.gz DOXVDCTYCKJHFU-LLVKDONJSA-N 1 2 284.360 -1.745 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)C[C@@H]2COC(=O)C2)C1 ZINC001010566364 657092843 /nfs/dbraw/zinc/09/28/43/657092843.db2.gz LDSRZHFVDZNHKN-IUCAKERBSA-N 1 2 269.301 -1.385 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)C[C@@H]2COC(=O)C2)C1 ZINC001010566364 657092846 /nfs/dbraw/zinc/09/28/46/657092846.db2.gz LDSRZHFVDZNHKN-IUCAKERBSA-N 1 2 269.301 -1.385 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cn(C)cn2)C1 ZINC001010555295 657092938 /nfs/dbraw/zinc/09/29/38/657092938.db2.gz YTWMVYJBHKUIOW-SECBINFHSA-N 1 2 265.317 -1.030 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cn(C)cn2)C1 ZINC001010555295 657092943 /nfs/dbraw/zinc/09/29/43/657092943.db2.gz YTWMVYJBHKUIOW-SECBINFHSA-N 1 2 265.317 -1.030 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)CN2CN=NC2=O)C1 ZINC001010699191 657093228 /nfs/dbraw/zinc/09/32/28/657093228.db2.gz SQSLAXYYNBDOMZ-ZETCQYMHSA-N 1 2 268.277 -2.341 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)CN2CN=NC2=O)C1 ZINC001010699191 657093234 /nfs/dbraw/zinc/09/32/34/657093234.db2.gz SQSLAXYYNBDOMZ-ZETCQYMHSA-N 1 2 268.277 -2.341 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@H](C)n2cncn2)C1 ZINC001010676155 657093438 /nfs/dbraw/zinc/09/34/38/657093438.db2.gz KLOVSMCKTKYBEY-VHSXEESVSA-N 1 2 280.332 -1.224 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@H](C)n2cncn2)C1 ZINC001010676155 657093442 /nfs/dbraw/zinc/09/34/42/657093442.db2.gz KLOVSMCKTKYBEY-VHSXEESVSA-N 1 2 280.332 -1.224 20 0 CAADLO CN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cnn(C)c2N)C1 ZINC001010707916 657094087 /nfs/dbraw/zinc/09/40/87/657094087.db2.gz LXVOSBAAUZDWQH-SECBINFHSA-N 1 2 294.359 -1.105 20 0 CAADLO CN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)c2cnn(C)c2N)C1 ZINC001010707916 657094091 /nfs/dbraw/zinc/09/40/91/657094091.db2.gz LXVOSBAAUZDWQH-SECBINFHSA-N 1 2 294.359 -1.105 20 0 CAADLO C[C@@H](C(=O)N[C@H]1CC[N@H+](CC(N)=O)C1)n1cncn1 ZINC001010693291 657094096 /nfs/dbraw/zinc/09/40/96/657094096.db2.gz XXYJCWBNSXDPIC-IUCAKERBSA-N 1 2 266.305 -1.485 20 0 CAADLO C[C@@H](C(=O)N[C@H]1CC[N@@H+](CC(N)=O)C1)n1cncn1 ZINC001010693291 657094097 /nfs/dbraw/zinc/09/40/97/657094097.db2.gz XXYJCWBNSXDPIC-IUCAKERBSA-N 1 2 266.305 -1.485 20 0 CAADLO Cn1ncc(C(=O)N[C@@H]2CC[N@@H+]([C@H]3CCNC3=O)C2)c1N ZINC001010718869 657094253 /nfs/dbraw/zinc/09/42/53/657094253.db2.gz QJGVPPYWVVHOAQ-SCZZXKLOSA-N 1 2 292.343 -1.305 20 0 CAADLO Cn1ncc(C(=O)N[C@@H]2CC[N@H+]([C@H]3CCNC3=O)C2)c1N ZINC001010718869 657094260 /nfs/dbraw/zinc/09/42/60/657094260.db2.gz QJGVPPYWVVHOAQ-SCZZXKLOSA-N 1 2 292.343 -1.305 20 0 CAADLO C[C@H](C(=O)N[C@@H]1CC[N@H+](CC(N)=O)C1)n1cncn1 ZINC001010693292 657094495 /nfs/dbraw/zinc/09/44/95/657094495.db2.gz XXYJCWBNSXDPIC-RKDXNWHRSA-N 1 2 266.305 -1.485 20 0 CAADLO C[C@H](C(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C1)n1cncn1 ZINC001010693292 657094502 /nfs/dbraw/zinc/09/45/02/657094502.db2.gz XXYJCWBNSXDPIC-RKDXNWHRSA-N 1 2 266.305 -1.485 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cnn(C)c2N)C1 ZINC001010705448 657094681 /nfs/dbraw/zinc/09/46/81/657094681.db2.gz DZSJQDXKDGNENG-QMMMGPOBSA-N 1 2 280.332 -1.448 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cnn(C)c2N)C1 ZINC001010705448 657094690 /nfs/dbraw/zinc/09/46/90/657094690.db2.gz DZSJQDXKDGNENG-QMMMGPOBSA-N 1 2 280.332 -1.448 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)c2cnn(C)c2N)C1 ZINC001010721490 657095029 /nfs/dbraw/zinc/09/50/29/657095029.db2.gz XXSWNYJIHBOHLV-HTQZYQBOSA-N 1 2 280.332 -1.320 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)c2cnn(C)c2N)C1 ZINC001010721490 657095037 /nfs/dbraw/zinc/09/50/37/657095037.db2.gz XXSWNYJIHBOHLV-HTQZYQBOSA-N 1 2 280.332 -1.320 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)c2cnn(C)c2N)C1 ZINC001010721497 657095574 /nfs/dbraw/zinc/09/55/74/657095574.db2.gz XXSWNYJIHBOHLV-YUMQZZPRSA-N 1 2 280.332 -1.320 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)c2cnn(C)c2N)C1 ZINC001010721497 657095576 /nfs/dbraw/zinc/09/55/76/657095576.db2.gz XXSWNYJIHBOHLV-YUMQZZPRSA-N 1 2 280.332 -1.320 20 0 CAADLO Cn1oc(C(=O)N[C@@H]2CC[N@H+](CC(N)=O)C2)cc1=O ZINC001010772685 657095877 /nfs/dbraw/zinc/09/58/77/657095877.db2.gz ITYBYOFCMVJFHF-SSDOTTSWSA-N 1 2 268.273 -1.732 20 0 CAADLO Cn1oc(C(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C2)cc1=O ZINC001010772685 657095886 /nfs/dbraw/zinc/09/58/86/657095886.db2.gz ITYBYOFCMVJFHF-SSDOTTSWSA-N 1 2 268.273 -1.732 20 0 CAADLO CC(=O)N1CC(C(=O)N[C@@H]2CC[N@H+](CC(N)=O)C2)C1 ZINC001010761085 657095939 /nfs/dbraw/zinc/09/59/39/657095939.db2.gz SHPIILRZTSQPOY-SNVBAGLBSA-N 1 2 268.317 -1.860 20 0 CAADLO CC(=O)N1CC(C(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C2)C1 ZINC001010761085 657095950 /nfs/dbraw/zinc/09/59/50/657095950.db2.gz SHPIILRZTSQPOY-SNVBAGLBSA-N 1 2 268.317 -1.860 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)c2cnn(C)c2N)C1 ZINC001010721495 657096352 /nfs/dbraw/zinc/09/63/52/657096352.db2.gz XXSWNYJIHBOHLV-SFYZADRCSA-N 1 2 280.332 -1.320 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)c2cnn(C)c2N)C1 ZINC001010721495 657096361 /nfs/dbraw/zinc/09/63/61/657096361.db2.gz XXSWNYJIHBOHLV-SFYZADRCSA-N 1 2 280.332 -1.320 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)c2cc(=O)n(C)o2)C1 ZINC001010754255 657096618 /nfs/dbraw/zinc/09/66/18/657096618.db2.gz PRADJZYROKCWTI-YUMQZZPRSA-N 1 2 282.300 -1.344 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)c2cc(=O)n(C)o2)C1 ZINC001010754255 657096624 /nfs/dbraw/zinc/09/66/24/657096624.db2.gz PRADJZYROKCWTI-YUMQZZPRSA-N 1 2 282.300 -1.344 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)c2cn(C)nn2)C1 ZINC001010850158 657099935 /nfs/dbraw/zinc/09/99/35/657099935.db2.gz QFERVEDPXSNNFT-HTQZYQBOSA-N 1 2 266.305 -1.507 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)c2cn(C)nn2)C1 ZINC001010850158 657099946 /nfs/dbraw/zinc/09/99/46/657099946.db2.gz QFERVEDPXSNNFT-HTQZYQBOSA-N 1 2 266.305 -1.507 20 0 CAADLO Cn1cc(C(=O)N[C@H]2CC[N@H+](CC(=O)N3CCC3)C2)nn1 ZINC001010849742 657101186 /nfs/dbraw/zinc/10/11/86/657101186.db2.gz HNFUEOYBAVSQPD-JTQLQIEISA-N 1 2 292.343 -1.149 20 0 CAADLO Cn1cc(C(=O)N[C@H]2CC[N@@H+](CC(=O)N3CCC3)C2)nn1 ZINC001010849742 657101191 /nfs/dbraw/zinc/10/11/91/657101191.db2.gz HNFUEOYBAVSQPD-JTQLQIEISA-N 1 2 292.343 -1.149 20 0 CAADLO CCn1ncc(C(=O)N[C@@H]2CC[N@@H+]([C@@H](C)C(N)=O)C2)n1 ZINC001010871158 657101330 /nfs/dbraw/zinc/10/13/30/657101330.db2.gz SSAGDHOZIAKTCN-DTWKUNHWSA-N 1 2 280.332 -1.024 20 0 CAADLO CCn1ncc(C(=O)N[C@@H]2CC[N@H+]([C@@H](C)C(N)=O)C2)n1 ZINC001010871158 657101331 /nfs/dbraw/zinc/10/13/31/657101331.db2.gz SSAGDHOZIAKTCN-DTWKUNHWSA-N 1 2 280.332 -1.024 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)c2cn(C)nn2)C1 ZINC001010850159 657101432 /nfs/dbraw/zinc/10/14/32/657101432.db2.gz QFERVEDPXSNNFT-JGVFFNPUSA-N 1 2 266.305 -1.507 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)c2cn(C)nn2)C1 ZINC001010850159 657101435 /nfs/dbraw/zinc/10/14/35/657101435.db2.gz QFERVEDPXSNNFT-JGVFFNPUSA-N 1 2 266.305 -1.507 20 0 CAADLO Cc1nnc(CC(=O)N[C@H]2CC[N@@H+]([C@H](C)C(N)=O)C2)o1 ZINC001010867336 657101822 /nfs/dbraw/zinc/10/18/22/657101822.db2.gz AGNRNDHRZAWNHF-APPZFPTMSA-N 1 2 281.316 -1.015 20 0 CAADLO Cc1nnc(CC(=O)N[C@H]2CC[N@H+]([C@H](C)C(N)=O)C2)o1 ZINC001010867336 657101832 /nfs/dbraw/zinc/10/18/32/657101832.db2.gz AGNRNDHRZAWNHF-APPZFPTMSA-N 1 2 281.316 -1.015 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H]2COC(=O)N2)C1 ZINC001010835888 657101906 /nfs/dbraw/zinc/10/19/06/657101906.db2.gz XBEUKQVZYXPNSK-JGVFFNPUSA-N 1 2 270.289 -1.969 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@H]2COC(=O)N2)C1 ZINC001010835888 657101914 /nfs/dbraw/zinc/10/19/14/657101914.db2.gz XBEUKQVZYXPNSK-JGVFFNPUSA-N 1 2 270.289 -1.969 20 0 CAADLO CC[C@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)c2ncn(C)n2)C1 ZINC001010880447 657102452 /nfs/dbraw/zinc/10/24/52/657102452.db2.gz KADXYNKMQFUCMR-RKDXNWHRSA-N 1 2 280.332 -1.117 20 0 CAADLO CC[C@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)c2ncn(C)n2)C1 ZINC001010880447 657102459 /nfs/dbraw/zinc/10/24/59/657102459.db2.gz KADXYNKMQFUCMR-RKDXNWHRSA-N 1 2 280.332 -1.117 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)c2ncn(C)n2)C1 ZINC001010880529 657102859 /nfs/dbraw/zinc/10/28/59/657102859.db2.gz LXTOROYIJJMRED-JGVFFNPUSA-N 1 2 266.305 -1.507 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)c2ncn(C)n2)C1 ZINC001010880529 657102867 /nfs/dbraw/zinc/10/28/67/657102867.db2.gz LXTOROYIJJMRED-JGVFFNPUSA-N 1 2 266.305 -1.507 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+]1CC[C@H](NC(=O)c2ncn(C)n2)C1 ZINC001010880283 657102911 /nfs/dbraw/zinc/10/29/11/657102911.db2.gz HZXJJJVPFJVGAZ-IUCAKERBSA-N 1 2 280.332 -1.246 20 0 CAADLO CNC(=O)[C@H](C)[N@H+]1CC[C@H](NC(=O)c2ncn(C)n2)C1 ZINC001010880283 657102920 /nfs/dbraw/zinc/10/29/20/657102920.db2.gz HZXJJJVPFJVGAZ-IUCAKERBSA-N 1 2 280.332 -1.246 20 0 CAADLO CC[C@@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)c2ncn(C)n2)C1 ZINC001010880444 657103098 /nfs/dbraw/zinc/10/30/98/657103098.db2.gz KADXYNKMQFUCMR-BDAKNGLRSA-N 1 2 280.332 -1.117 20 0 CAADLO CC[C@@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)c2ncn(C)n2)C1 ZINC001010880444 657103104 /nfs/dbraw/zinc/10/31/04/657103104.db2.gz KADXYNKMQFUCMR-BDAKNGLRSA-N 1 2 280.332 -1.117 20 0 CAADLO Cc1nnc(CC(=O)N[C@@H]2CC[N@H+](CC(N)=O)C2)o1 ZINC001010879154 657103485 /nfs/dbraw/zinc/10/34/85/657103485.db2.gz XRCFMORPPQNUKS-MRVPVSSYSA-N 1 2 267.289 -1.404 20 0 CAADLO Cc1nnc(CC(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C2)o1 ZINC001010879154 657103493 /nfs/dbraw/zinc/10/34/93/657103493.db2.gz XRCFMORPPQNUKS-MRVPVSSYSA-N 1 2 267.289 -1.404 20 0 CAADLO CN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ncn(C)n2)C1 ZINC001010877018 657103771 /nfs/dbraw/zinc/10/37/71/657103771.db2.gz OGKPTJCNBPSYFQ-SECBINFHSA-N 1 2 280.332 -1.293 20 0 CAADLO CN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)c2ncn(C)n2)C1 ZINC001010877018 657103778 /nfs/dbraw/zinc/10/37/78/657103778.db2.gz OGKPTJCNBPSYFQ-SECBINFHSA-N 1 2 280.332 -1.293 20 0 CAADLO O=C(Cn1cc[nH+]c1)N1CCN(C(=O)c2cn[nH]n2)CC1 ZINC001011330500 657107469 /nfs/dbraw/zinc/10/74/69/657107469.db2.gz LGOCVAHHKMHMNV-UHFFFAOYSA-N 1 2 289.299 -1.014 20 0 CAADLO C[C@@H]1[C@H](NC(=O)Cc2[nH]cc[nH+]2)CCN1C(=O)CC(N)=O ZINC001011587148 657111580 /nfs/dbraw/zinc/11/15/80/657111580.db2.gz YPHSNCMUWQKDHJ-RKDXNWHRSA-N 1 2 293.327 -1.067 20 0 CAADLO C[C@@H]1[C@H](NC(=O)Cc2c[nH]c[nH+]2)CCN1C(=O)CC(N)=O ZINC001011587235 657111946 /nfs/dbraw/zinc/11/19/46/657111946.db2.gz AAONFRWJPFOEFZ-PSASIEDQSA-N 1 2 293.327 -1.067 20 0 CAADLO C[C@H]1[C@H](NC(=O)Cc2[nH]cc[nH+]2)CCN1C(=O)CC(N)=O ZINC001011587144 657112183 /nfs/dbraw/zinc/11/21/83/657112183.db2.gz YPHSNCMUWQKDHJ-DTWKUNHWSA-N 1 2 293.327 -1.067 20 0 CAADLO C[C@@H]1[C@H](NC(=O)C(N)=O)CCN1C(=O)Cn1cc[nH+]c1 ZINC001011857851 657116876 /nfs/dbraw/zinc/11/68/76/657116876.db2.gz WFXAEJHNTHDNMO-RKDXNWHRSA-N 1 2 279.300 -1.526 20 0 CAADLO C[C@H]1[C@H](NC(=O)C(N)=O)CCN1C(=O)Cn1cc[nH+]c1 ZINC001011857849 657118060 /nfs/dbraw/zinc/11/80/60/657118060.db2.gz WFXAEJHNTHDNMO-DTWKUNHWSA-N 1 2 279.300 -1.526 20 0 CAADLO C[C@@H]1[C@H](NC(=O)Cc2c[nH+]cn2C)CCN1C(=O)C(N)=O ZINC001012014461 657118934 /nfs/dbraw/zinc/11/89/34/657118934.db2.gz DGSDHUPGCQLXPE-PSASIEDQSA-N 1 2 293.327 -1.447 20 0 CAADLO C[C@H]1[C@@H](NC(=O)C(N)=O)CCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001012011760 657119610 /nfs/dbraw/zinc/11/96/10/657119610.db2.gz JFBDRNINLLJWNO-YUMQZZPRSA-N 1 2 279.300 -1.457 20 0 CAADLO Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CCN(C(=O)C(N)=O)[C@H]1C ZINC001012014311 657119659 /nfs/dbraw/zinc/11/96/59/657119659.db2.gz BSLVBVJSRGNYDS-IUCAKERBSA-N 1 2 293.327 -1.148 20 0 CAADLO C[C@H]1[C@H](NC(=O)Cc2c[nH]c[nH+]2)CCN1C(=O)C(N)=O ZINC001012026348 657122033 /nfs/dbraw/zinc/12/20/33/657122033.db2.gz UDPBCEBNIRKSOD-IONNQARKSA-N 1 2 279.300 -1.457 20 0 CAADLO C[C@H]1[C@@H](NC(=O)C(N)=O)CCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001012102549 657123336 /nfs/dbraw/zinc/12/33/36/657123336.db2.gz QQPVVAANBPXBDD-CBAPKCEASA-N 1 2 279.300 -1.457 20 0 CAADLO C[C@H]1[C@H](NC(=O)C(N)=O)CCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001012102551 657123876 /nfs/dbraw/zinc/12/38/76/657123876.db2.gz QQPVVAANBPXBDD-IONNQARKSA-N 1 2 279.300 -1.457 20 0 CAADLO C[C@H]1C[C@@H](NC(=O)Cc2[nH]cc[nH+]2)CN1C(=O)CC(N)=O ZINC001012407128 657126248 /nfs/dbraw/zinc/12/62/48/657126248.db2.gz GJLHPDIFQJDRJN-DTWKUNHWSA-N 1 2 293.327 -1.067 20 0 CAADLO C[C@@H]1C[C@@H](NC(=O)Cc2[nH]cc[nH+]2)CN1C(=O)CC(N)=O ZINC001012407130 657127004 /nfs/dbraw/zinc/12/70/04/657127004.db2.gz GJLHPDIFQJDRJN-RKDXNWHRSA-N 1 2 293.327 -1.067 20 0 CAADLO C[C@H]1C[C@@H](NC(=O)Cc2c[nH]c[nH+]2)CN1C(=O)CC(N)=O ZINC001012411355 657129023 /nfs/dbraw/zinc/12/90/23/657129023.db2.gz FVYDSSGVOOEUDG-WCBMZHEXSA-N 1 2 293.327 -1.067 20 0 CAADLO C[C@H]1C[C@@H](NC(=O)C(N)=O)CN1C(=O)CCc1[nH]cc[nH+]1 ZINC001012539711 657130197 /nfs/dbraw/zinc/13/01/97/657130197.db2.gz VCIIGGUEROVRGE-DTWKUNHWSA-N 1 2 293.327 -1.067 20 0 CAADLO C[C@@H]1C[C@@H](NC(=O)C(N)=O)CN1C(=O)CCc1c[nH]c[nH+]1 ZINC001012923897 657132024 /nfs/dbraw/zinc/13/20/24/657132024.db2.gz QIXNOYHYMJWEQF-PSASIEDQSA-N 1 2 293.327 -1.067 20 0 CAADLO C[C@@H]1C[C@@H](NC(=O)C(N)=O)CN1C(=O)CCc1c[nH+]c[nH]1 ZINC001012923897 657132030 /nfs/dbraw/zinc/13/20/30/657132030.db2.gz QIXNOYHYMJWEQF-PSASIEDQSA-N 1 2 293.327 -1.067 20 0 CAADLO C[C@H]1C[C@@H](NC(=O)C(N)=O)CN1C(=O)Cn1cc[nH+]c1 ZINC001013050660 657132472 /nfs/dbraw/zinc/13/24/72/657132472.db2.gz SONROBSUWCRYRI-DTWKUNHWSA-N 1 2 279.300 -1.526 20 0 CAADLO C[C@H]1C[C@@H](NC(=O)C(N)=O)CN1C(=O)Cc1c[nH+]cn1C ZINC001013336084 657133607 /nfs/dbraw/zinc/13/36/07/657133607.db2.gz AJYWRIMASCGLMB-DTWKUNHWSA-N 1 2 293.327 -1.447 20 0 CAADLO C[C@@H]1C[C@H](NC(=O)C(N)=O)CN1C(=O)Cc1c[nH+]cn1C ZINC001013336083 657133639 /nfs/dbraw/zinc/13/36/39/657133639.db2.gz AJYWRIMASCGLMB-BDAKNGLRSA-N 1 2 293.327 -1.447 20 0 CAADLO C[C@@H]1C[C@H](NC(=O)C(N)=O)CN1C(=O)CCn1cc[nH+]c1 ZINC001013410436 657134333 /nfs/dbraw/zinc/13/43/33/657134333.db2.gz HFDJKRWLVSLBMO-ZJUUUORDSA-N 1 2 293.327 -1.136 20 0 CAADLO C[C@@H]1C[C@@H](NC(=O)C(N)=O)CN1C(=O)CCn1cc[nH+]c1 ZINC001013410432 657134430 /nfs/dbraw/zinc/13/44/30/657134430.db2.gz HFDJKRWLVSLBMO-NXEZZACHSA-N 1 2 293.327 -1.136 20 0 CAADLO C[C@@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2)CN1C(=O)C(N)=O ZINC001013988245 657142114 /nfs/dbraw/zinc/14/21/14/657142114.db2.gz CAXINIIOIXVSGY-RKDXNWHRSA-N 1 2 279.300 -1.526 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)Cc2ccn(C)n2)C1 ZINC001014387349 657143580 /nfs/dbraw/zinc/14/35/80/657143580.db2.gz JRQVLOGPNIGYAE-NSHDSACASA-N 1 2 279.344 -1.101 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)Cc2ccn(C)n2)C1 ZINC001014387349 657143590 /nfs/dbraw/zinc/14/35/90/657143590.db2.gz JRQVLOGPNIGYAE-NSHDSACASA-N 1 2 279.344 -1.101 20 0 CAADLO C[C@@H]1C[C@H](NC(=O)C(N)=O)CN1C(=O)Cc1c[nH+]c[nH]1 ZINC001014101997 657143710 /nfs/dbraw/zinc/14/37/10/657143710.db2.gz GJFFDEZETYYWPA-APPZFPTMSA-N 1 2 279.300 -1.457 20 0 CAADLO C[C@@H]1C[C@@H](NC(=O)C(N)=O)CN1C(=O)Cc1c[nH+]c[nH]1 ZINC001014102000 657143814 /nfs/dbraw/zinc/14/38/14/657143814.db2.gz GJFFDEZETYYWPA-VXNVDRBHSA-N 1 2 279.300 -1.457 20 0 CAADLO C[C@H]1C[C@H](NC(=O)C(N)=O)CN1C(=O)Cc1c[nH+]c[nH]1 ZINC001014101998 657144292 /nfs/dbraw/zinc/14/42/92/657144292.db2.gz GJFFDEZETYYWPA-CBAPKCEASA-N 1 2 279.300 -1.457 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cn2ncnn2)C1 ZINC001014429805 657146165 /nfs/dbraw/zinc/14/61/65/657146165.db2.gz QEESHXWPNDSKDM-SSDOTTSWSA-N 1 2 253.266 -2.651 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)Cn2ncnn2)C1 ZINC001014429805 657146179 /nfs/dbraw/zinc/14/61/79/657146179.db2.gz QEESHXWPNDSKDM-SSDOTTSWSA-N 1 2 253.266 -2.651 20 0 CAADLO Cc1cccn(CC(=O)N[C@@H]2CC[N@H+](CC(N)=O)C2)c1=O ZINC001014400789 657146195 /nfs/dbraw/zinc/14/61/95/657146195.db2.gz INVXXUJOLOFRHZ-LLVKDONJSA-N 1 2 292.339 -1.167 20 0 CAADLO Cc1cccn(CC(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C2)c1=O ZINC001014400789 657146200 /nfs/dbraw/zinc/14/62/00/657146200.db2.gz INVXXUJOLOFRHZ-LLVKDONJSA-N 1 2 292.339 -1.167 20 0 CAADLO Cc1cccn(CC(=O)N[C@H]2CC[N@H+](CC(N)=O)C2)c1=O ZINC001014400790 657146320 /nfs/dbraw/zinc/14/63/20/657146320.db2.gz INVXXUJOLOFRHZ-NSHDSACASA-N 1 2 292.339 -1.167 20 0 CAADLO Cc1cccn(CC(=O)N[C@H]2CC[N@@H+](CC(N)=O)C2)c1=O ZINC001014400790 657146327 /nfs/dbraw/zinc/14/63/27/657146327.db2.gz INVXXUJOLOFRHZ-NSHDSACASA-N 1 2 292.339 -1.167 20 0 CAADLO Cn1nncc1C[N@@H+]1CC[C@@H](NC(=O)Cn2ncnn2)C1 ZINC001014432173 657146479 /nfs/dbraw/zinc/14/64/79/657146479.db2.gz VYBLORHYMGBATB-SECBINFHSA-N 1 2 291.319 -1.808 20 0 CAADLO Cn1nncc1C[N@H+]1CC[C@@H](NC(=O)Cn2ncnn2)C1 ZINC001014432173 657146484 /nfs/dbraw/zinc/14/64/84/657146484.db2.gz VYBLORHYMGBATB-SECBINFHSA-N 1 2 291.319 -1.808 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)Cn2ncnn2)C1 ZINC001014427184 657146797 /nfs/dbraw/zinc/14/67/97/657146797.db2.gz IQDODUUATJJQHN-QMMMGPOBSA-N 1 2 267.293 -2.390 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)Cn2ncnn2)C1 ZINC001014427184 657146806 /nfs/dbraw/zinc/14/68/06/657146806.db2.gz IQDODUUATJJQHN-QMMMGPOBSA-N 1 2 267.293 -2.390 20 0 CAADLO Cn1nncc1C[N@@H+]1CC[C@@H](NC(=O)Cn2nccn2)C1 ZINC001014565662 657148033 /nfs/dbraw/zinc/14/80/33/657148033.db2.gz MZMJIDRTKNFYLW-SNVBAGLBSA-N 1 2 290.331 -1.203 20 0 CAADLO Cn1nncc1C[N@H+]1CC[C@@H](NC(=O)Cn2nccn2)C1 ZINC001014565662 657148042 /nfs/dbraw/zinc/14/80/42/657148042.db2.gz MZMJIDRTKNFYLW-SNVBAGLBSA-N 1 2 290.331 -1.203 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@]23C[C@H]2COC3)C1 ZINC001014504299 657148287 /nfs/dbraw/zinc/14/82/87/657148287.db2.gz MQGNYZINQFXSSG-SBMIAAHKSA-N 1 2 253.302 -1.301 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@]23C[C@H]2COC3)C1 ZINC001014504299 657148294 /nfs/dbraw/zinc/14/82/94/657148294.db2.gz MQGNYZINQFXSSG-SBMIAAHKSA-N 1 2 253.302 -1.301 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@]23C[C@H]2COC3)C1 ZINC001014484489 657148650 /nfs/dbraw/zinc/14/86/50/657148650.db2.gz JUVDGIJJMNSSAS-CWSCBRNRSA-N 1 2 267.329 -1.041 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@]23C[C@H]2COC3)C1 ZINC001014484489 657148657 /nfs/dbraw/zinc/14/86/57/657148657.db2.gz JUVDGIJJMNSSAS-CWSCBRNRSA-N 1 2 267.329 -1.041 20 0 CAADLO CN1C[C@@H](C(=O)N[C@@H]2CC[N@H+](CC(N)=O)C2)CC1=O ZINC001014613598 657150034 /nfs/dbraw/zinc/15/00/34/657150034.db2.gz CLQSVDVOWJCLTN-DTWKUNHWSA-N 1 2 268.317 -1.860 20 0 CAADLO CN1C[C@@H](C(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C2)CC1=O ZINC001014613598 657150036 /nfs/dbraw/zinc/15/00/36/657150036.db2.gz CLQSVDVOWJCLTN-DTWKUNHWSA-N 1 2 268.317 -1.860 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)C[C@H]2CCNC2=O)C1 ZINC001014710708 657150172 /nfs/dbraw/zinc/15/01/72/657150172.db2.gz IKFYKZWIMHMKFM-BDAKNGLRSA-N 1 2 268.317 -1.812 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)C[C@H]2CCNC2=O)C1 ZINC001014710708 657150175 /nfs/dbraw/zinc/15/01/75/657150175.db2.gz IKFYKZWIMHMKFM-BDAKNGLRSA-N 1 2 268.317 -1.812 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cccn3nnnc23)C1 ZINC001014575645 657150650 /nfs/dbraw/zinc/15/06/50/657150650.db2.gz BLWGKQNMGDJUDB-QMMMGPOBSA-N 1 2 289.299 -1.586 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)c2cccn3nnnc23)C1 ZINC001014575645 657150655 /nfs/dbraw/zinc/15/06/55/657150655.db2.gz BLWGKQNMGDJUDB-QMMMGPOBSA-N 1 2 289.299 -1.586 20 0 CAADLO CCN1C[C@H](C(=O)N[C@H]2CC[N@H+](CC(N)=O)C2)CC1=O ZINC001014640141 657150908 /nfs/dbraw/zinc/15/09/08/657150908.db2.gz ZGMQDLQETIPJLZ-ZJUUUORDSA-N 1 2 282.344 -1.469 20 0 CAADLO CCN1C[C@H](C(=O)N[C@H]2CC[N@@H+](CC(N)=O)C2)CC1=O ZINC001014640141 657150914 /nfs/dbraw/zinc/15/09/14/657150914.db2.gz ZGMQDLQETIPJLZ-ZJUUUORDSA-N 1 2 282.344 -1.469 20 0 CAADLO CC(C)N1C[C@H](C(=O)N[C@@H]2CC[N@H+](CC(N)=O)C2)CC1=O ZINC001014611220 657150947 /nfs/dbraw/zinc/15/09/47/657150947.db2.gz NRCOCUYVVYDOAS-GHMZBOCLSA-N 1 2 296.371 -1.081 20 0 CAADLO CC(C)N1C[C@H](C(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C2)CC1=O ZINC001014611220 657150952 /nfs/dbraw/zinc/15/09/52/657150952.db2.gz NRCOCUYVVYDOAS-GHMZBOCLSA-N 1 2 296.371 -1.081 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCNC2=O)C1 ZINC001014809494 657152614 /nfs/dbraw/zinc/15/26/14/657152614.db2.gz CZWJDRZBACWUHV-UWVGGRQHSA-N 1 2 282.344 -1.551 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCCNC2=O)C1 ZINC001014809494 657152618 /nfs/dbraw/zinc/15/26/18/657152618.db2.gz CZWJDRZBACWUHV-UWVGGRQHSA-N 1 2 282.344 -1.551 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)C[C@@H]2CCNC2=O)C1 ZINC001014710709 657152644 /nfs/dbraw/zinc/15/26/44/657152644.db2.gz IKFYKZWIMHMKFM-DTWKUNHWSA-N 1 2 268.317 -1.812 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)C[C@@H]2CCNC2=O)C1 ZINC001014710709 657152649 /nfs/dbraw/zinc/15/26/49/657152649.db2.gz IKFYKZWIMHMKFM-DTWKUNHWSA-N 1 2 268.317 -1.812 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)CN2CCOCC2=O)C1 ZINC001014735042 657152838 /nfs/dbraw/zinc/15/28/38/657152838.db2.gz DSUGPWHHIOYSEX-JTQLQIEISA-N 1 2 298.343 -2.218 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)CN2CCOCC2=O)C1 ZINC001014735042 657152846 /nfs/dbraw/zinc/15/28/46/657152846.db2.gz DSUGPWHHIOYSEX-JTQLQIEISA-N 1 2 298.343 -2.218 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)C[C@@H]2CCNC2=O)C1 ZINC001014710710 657152880 /nfs/dbraw/zinc/15/28/80/657152880.db2.gz IKFYKZWIMHMKFM-IUCAKERBSA-N 1 2 268.317 -1.812 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)C[C@@H]2CCNC2=O)C1 ZINC001014710710 657152900 /nfs/dbraw/zinc/15/29/00/657152900.db2.gz IKFYKZWIMHMKFM-IUCAKERBSA-N 1 2 268.317 -1.812 20 0 CAADLO Cn1cnc(C(=O)N[C@@H]2CC[N@H+](CC(N)=O)C2)cc1=O ZINC001014785918 657152986 /nfs/dbraw/zinc/15/29/86/657152986.db2.gz OWQLEJLJUCPBOW-MRVPVSSYSA-N 1 2 279.300 -1.930 20 0 CAADLO Cn1cnc(C(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C2)cc1=O ZINC001014785918 657152995 /nfs/dbraw/zinc/15/29/95/657152995.db2.gz OWQLEJLJUCPBOW-MRVPVSSYSA-N 1 2 279.300 -1.930 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cc(=O)n(C)cn2)C1 ZINC001014779810 657153108 /nfs/dbraw/zinc/15/31/08/657153108.db2.gz NGJYTDLKGJIYQS-SECBINFHSA-N 1 2 293.327 -1.670 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cc(=O)n(C)cn2)C1 ZINC001014779810 657153112 /nfs/dbraw/zinc/15/31/12/657153112.db2.gz NGJYTDLKGJIYQS-SECBINFHSA-N 1 2 293.327 -1.670 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cc3n(n2)CCO3)C1 ZINC001014738625 657153363 /nfs/dbraw/zinc/15/33/63/657153363.db2.gz YDEYJOAMIQZOLP-VIFPVBQESA-N 1 2 293.327 -1.174 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cc3n(n2)CCO3)C1 ZINC001014738625 657153365 /nfs/dbraw/zinc/15/33/65/657153365.db2.gz YDEYJOAMIQZOLP-VIFPVBQESA-N 1 2 293.327 -1.174 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)C[C@H]2CCNC2=O)C1 ZINC001014710711 657153690 /nfs/dbraw/zinc/15/36/90/657153690.db2.gz IKFYKZWIMHMKFM-RKDXNWHRSA-N 1 2 268.317 -1.812 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)C[C@H]2CCNC2=O)C1 ZINC001014710711 657153700 /nfs/dbraw/zinc/15/37/00/657153700.db2.gz IKFYKZWIMHMKFM-RKDXNWHRSA-N 1 2 268.317 -1.812 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)c2cc3n(n2)CCO3)C1 ZINC001014735353 657153717 /nfs/dbraw/zinc/15/37/17/657153717.db2.gz DXKLECKJONLLDF-BDAKNGLRSA-N 1 2 293.327 -1.047 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)c2cc3n(n2)CCO3)C1 ZINC001014735353 657153722 /nfs/dbraw/zinc/15/37/22/657153722.db2.gz DXKLECKJONLLDF-BDAKNGLRSA-N 1 2 293.327 -1.047 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)c2cc3n(n2)CCO3)C1 ZINC001014735359 657153755 /nfs/dbraw/zinc/15/37/55/657153755.db2.gz DXKLECKJONLLDF-RKDXNWHRSA-N 1 2 293.327 -1.047 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)c2cc3n(n2)CCO3)C1 ZINC001014735359 657153759 /nfs/dbraw/zinc/15/37/59/657153759.db2.gz DXKLECKJONLLDF-RKDXNWHRSA-N 1 2 293.327 -1.047 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001014771155 657154742 /nfs/dbraw/zinc/15/47/42/657154742.db2.gz WLJYKKQDDFQNIV-SFYZADRCSA-N 1 2 297.315 -2.479 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001014771155 657154744 /nfs/dbraw/zinc/15/47/44/657154744.db2.gz WLJYKKQDDFQNIV-SFYZADRCSA-N 1 2 297.315 -2.479 20 0 CAADLO CN1CC[C@@H](C(=O)N[C@@H]2CC[N@H+](CC(N)=O)C2)CC1=O ZINC001014967976 657155630 /nfs/dbraw/zinc/15/56/30/657155630.db2.gz JSLLOAAJAQQSSL-NXEZZACHSA-N 1 2 282.344 -1.469 20 0 CAADLO CN1CC[C@@H](C(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C2)CC1=O ZINC001014967976 657155636 /nfs/dbraw/zinc/15/56/36/657155636.db2.gz JSLLOAAJAQQSSL-NXEZZACHSA-N 1 2 282.344 -1.469 20 0 CAADLO C[C@]1(C(=O)N[C@H]2CC[N@H+](CC(N)=O)C2)CCNC(=O)C1 ZINC001014919326 657155872 /nfs/dbraw/zinc/15/58/72/657155872.db2.gz HKDAFVRSFUZYEO-ZANVPECISA-N 1 2 282.344 -1.422 20 0 CAADLO C[C@]1(C(=O)N[C@H]2CC[N@@H+](CC(N)=O)C2)CCNC(=O)C1 ZINC001014919326 657155879 /nfs/dbraw/zinc/15/58/79/657155879.db2.gz HKDAFVRSFUZYEO-ZANVPECISA-N 1 2 282.344 -1.422 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCC(=O)N2)C1 ZINC001014861068 657156016 /nfs/dbraw/zinc/15/60/16/657156016.db2.gz SAAMZODFVXXGJG-DTWKUNHWSA-N 1 2 268.317 -1.669 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCCC(=O)N2)C1 ZINC001014861068 657156021 /nfs/dbraw/zinc/15/60/21/657156021.db2.gz SAAMZODFVXXGJG-DTWKUNHWSA-N 1 2 268.317 -1.669 20 0 CAADLO C[C@@]1(C(=O)N[C@H]2CC[N@H+](CC(N)=O)C2)CCNC(=O)C1 ZINC001014919325 657156271 /nfs/dbraw/zinc/15/62/71/657156271.db2.gz HKDAFVRSFUZYEO-TVQRCGJNSA-N 1 2 282.344 -1.422 20 0 CAADLO C[C@@]1(C(=O)N[C@H]2CC[N@@H+](CC(N)=O)C2)CCNC(=O)C1 ZINC001014919325 657156272 /nfs/dbraw/zinc/15/62/72/657156272.db2.gz HKDAFVRSFUZYEO-TVQRCGJNSA-N 1 2 282.344 -1.422 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cn[nH]c(=O)c2)C1 ZINC001014835462 657156275 /nfs/dbraw/zinc/15/62/75/657156275.db2.gz YUYTZNHGZSGRJU-QMMMGPOBSA-N 1 2 265.273 -1.528 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)c2cn[nH]c(=O)c2)C1 ZINC001014835462 657156276 /nfs/dbraw/zinc/15/62/76/657156276.db2.gz YUYTZNHGZSGRJU-QMMMGPOBSA-N 1 2 265.273 -1.528 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)Cn2ncn(C)c2=O)C1 ZINC001015005710 657157727 /nfs/dbraw/zinc/15/77/27/657157727.db2.gz WLILRMFBJWIXPU-VIFPVBQESA-N 1 2 296.331 -2.482 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)Cn2ncn(C)c2=O)C1 ZINC001015005710 657157736 /nfs/dbraw/zinc/15/77/36/657157736.db2.gz WLILRMFBJWIXPU-VIFPVBQESA-N 1 2 296.331 -2.482 20 0 CAADLO C[C@@H]1[C@H](NC(=O)Cn2cc[nH+]c2)CCCN1C(=O)C(N)=O ZINC001015044466 657157937 /nfs/dbraw/zinc/15/79/37/657157937.db2.gz WRWVIESJSYFRCH-NXEZZACHSA-N 1 2 293.327 -1.136 20 0 CAADLO Cn1cnn(CC(=O)N[C@@H]2CC[N@H+](CC(N)=O)C2)c1=O ZINC001015008238 657158035 /nfs/dbraw/zinc/15/80/35/657158035.db2.gz ISKUSEKYVGKVTL-MRVPVSSYSA-N 1 2 282.304 -2.742 20 0 CAADLO Cn1cnn(CC(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C2)c1=O ZINC001015008238 657158040 /nfs/dbraw/zinc/15/80/40/657158040.db2.gz ISKUSEKYVGKVTL-MRVPVSSYSA-N 1 2 282.304 -2.742 20 0 CAADLO C[C@H]1[C@H](NC(=O)Cn2cc[nH+]c2)CCCN1C(=O)C(N)=O ZINC001015044471 657158112 /nfs/dbraw/zinc/15/81/12/657158112.db2.gz WRWVIESJSYFRCH-VHSXEESVSA-N 1 2 293.327 -1.136 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCC(=O)NC2)C1 ZINC001015040873 657158337 /nfs/dbraw/zinc/15/83/37/657158337.db2.gz BZKFXBBCSQLATG-RKDXNWHRSA-N 1 2 268.317 -1.812 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCC(=O)NC2)C1 ZINC001015040873 657158346 /nfs/dbraw/zinc/15/83/46/657158346.db2.gz BZKFXBBCSQLATG-RKDXNWHRSA-N 1 2 268.317 -1.812 20 0 CAADLO CN1CCN(CC(=O)N[C@H]2CC[N@H+](CC(N)=O)C2)CC1=O ZINC001015009881 657158925 /nfs/dbraw/zinc/15/89/25/657158925.db2.gz PQZLZSBKIPVWTP-JTQLQIEISA-N 1 2 297.359 -2.564 20 0 CAADLO CN1CCN(CC(=O)N[C@H]2CC[N@@H+](CC(N)=O)C2)CC1=O ZINC001015009881 657158929 /nfs/dbraw/zinc/15/89/29/657158929.db2.gz PQZLZSBKIPVWTP-JTQLQIEISA-N 1 2 297.359 -2.564 20 0 CAADLO Cn1cnn(CC(=O)N[C@H]2CC[N@H+](CC(N)=O)C2)c1=O ZINC001015008254 657159520 /nfs/dbraw/zinc/15/95/20/657159520.db2.gz ISKUSEKYVGKVTL-QMMMGPOBSA-N 1 2 282.304 -2.742 20 0 CAADLO Cn1cnn(CC(=O)N[C@H]2CC[N@@H+](CC(N)=O)C2)c1=O ZINC001015008254 657159522 /nfs/dbraw/zinc/15/95/22/657159522.db2.gz ISKUSEKYVGKVTL-QMMMGPOBSA-N 1 2 282.304 -2.742 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC(=O)NC2)C1 ZINC001015045091 657159533 /nfs/dbraw/zinc/15/95/33/657159533.db2.gz TYAKMISRNNNBHC-ZJUUUORDSA-N 1 2 282.344 -1.551 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC(=O)NC2)C1 ZINC001015045091 657159540 /nfs/dbraw/zinc/15/95/40/657159540.db2.gz TYAKMISRNNNBHC-ZJUUUORDSA-N 1 2 282.344 -1.551 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC(=O)NC2)C1 ZINC001015040872 657159589 /nfs/dbraw/zinc/15/95/89/657159589.db2.gz BZKFXBBCSQLATG-IUCAKERBSA-N 1 2 268.317 -1.812 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCC(=O)NC2)C1 ZINC001015040872 657159596 /nfs/dbraw/zinc/15/95/96/657159596.db2.gz BZKFXBBCSQLATG-IUCAKERBSA-N 1 2 268.317 -1.812 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)CN2CCCNC2=O)C1 ZINC001015082807 657162038 /nfs/dbraw/zinc/16/20/38/657162038.db2.gz WZLDLDNEYWHTCA-VIFPVBQESA-N 1 2 283.332 -1.923 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)CN2CCCNC2=O)C1 ZINC001015082807 657162050 /nfs/dbraw/zinc/16/20/50/657162050.db2.gz WZLDLDNEYWHTCA-VIFPVBQESA-N 1 2 283.332 -1.923 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CN2CCCNC2=O)C1 ZINC001015081516 657162400 /nfs/dbraw/zinc/16/24/00/657162400.db2.gz OOQSESMZEZPWAY-SNVBAGLBSA-N 1 2 297.359 -1.662 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)CN2CCCNC2=O)C1 ZINC001015081516 657162402 /nfs/dbraw/zinc/16/24/02/657162402.db2.gz OOQSESMZEZPWAY-SNVBAGLBSA-N 1 2 297.359 -1.662 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)CN2CCCNC2=O)C1 ZINC001015081511 657162432 /nfs/dbraw/zinc/16/24/32/657162432.db2.gz OOQSESMZEZPWAY-JTQLQIEISA-N 1 2 297.359 -1.662 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)CN2CCCNC2=O)C1 ZINC001015081511 657162439 /nfs/dbraw/zinc/16/24/39/657162439.db2.gz OOQSESMZEZPWAY-JTQLQIEISA-N 1 2 297.359 -1.662 20 0 CAADLO C[C@@H]1[C@@H](NC(=O)C(N)=O)CCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001015183455 657163208 /nfs/dbraw/zinc/16/32/08/657163208.db2.gz HKCWNDGUFNYOMY-BDAKNGLRSA-N 1 2 293.327 -1.067 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001015138587 657163446 /nfs/dbraw/zinc/16/34/46/657163446.db2.gz ZPTNTZXFMCBJLD-QMMMGPOBSA-N 1 2 295.299 -2.375 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001015138587 657163450 /nfs/dbraw/zinc/16/34/50/657163450.db2.gz ZPTNTZXFMCBJLD-QMMMGPOBSA-N 1 2 295.299 -2.375 20 0 CAADLO O=C(C[C@@H]1CCS(=O)(=O)C1)N[C@@H]1CC[N@@H+](CCO)C1 ZINC001015161564 657163664 /nfs/dbraw/zinc/16/36/64/657163664.db2.gz PDULMZQRTJVZFW-WDEREUQCSA-N 1 2 290.385 -1.006 20 0 CAADLO O=C(C[C@@H]1CCS(=O)(=O)C1)N[C@@H]1CC[N@H+](CCO)C1 ZINC001015161564 657163668 /nfs/dbraw/zinc/16/36/68/657163668.db2.gz PDULMZQRTJVZFW-WDEREUQCSA-N 1 2 290.385 -1.006 20 0 CAADLO CC(=O)N1CCC[C@H](C(=O)N[C@H]2CC[N@H+](CC(N)=O)C2)C1 ZINC001015166953 657163705 /nfs/dbraw/zinc/16/37/05/657163705.db2.gz NEADHCRTBSUBTI-RYUDHWBXSA-N 1 2 296.371 -1.079 20 0 CAADLO CC(=O)N1CCC[C@H](C(=O)N[C@H]2CC[N@@H+](CC(N)=O)C2)C1 ZINC001015166953 657163714 /nfs/dbraw/zinc/16/37/14/657163714.db2.gz NEADHCRTBSUBTI-RYUDHWBXSA-N 1 2 296.371 -1.079 20 0 CAADLO O=C(N[C@@H]1CC[N@@H+](CCO)C1)[C@H]1CCS(=O)(=O)C1 ZINC001015170567 657163727 /nfs/dbraw/zinc/16/37/27/657163727.db2.gz KSJXECFAOGZYJS-VHSXEESVSA-N 1 2 276.358 -1.396 20 0 CAADLO O=C(N[C@@H]1CC[N@H+](CCO)C1)[C@H]1CCS(=O)(=O)C1 ZINC001015170567 657163730 /nfs/dbraw/zinc/16/37/30/657163730.db2.gz KSJXECFAOGZYJS-VHSXEESVSA-N 1 2 276.358 -1.396 20 0 CAADLO C[C@H]1[C@@H](NC(=O)Cc2[nH]cc[nH+]2)CCCN1C(=O)C(N)=O ZINC001015174983 657164183 /nfs/dbraw/zinc/16/41/83/657164183.db2.gz OGFVCEYIOQBAMW-IUCAKERBSA-N 1 2 293.327 -1.067 20 0 CAADLO Cn1cc(C(N)=O)cc1C(=O)N[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001015129485 657164327 /nfs/dbraw/zinc/16/43/27/657164327.db2.gz WFNATDPAJLRTBU-VIFPVBQESA-N 1 2 293.327 -1.587 20 0 CAADLO Cn1cc(C(N)=O)cc1C(=O)N[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001015129485 657164331 /nfs/dbraw/zinc/16/43/31/657164331.db2.gz WFNATDPAJLRTBU-VIFPVBQESA-N 1 2 293.327 -1.587 20 0 CAADLO C[C@@H]1[C@H](NC(=O)C(N)=O)CCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001015183462 657164357 /nfs/dbraw/zinc/16/43/57/657164357.db2.gz HKCWNDGUFNYOMY-RKDXNWHRSA-N 1 2 293.327 -1.067 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cn(C)c(=O)cn2)C1 ZINC001015325295 657165685 /nfs/dbraw/zinc/16/56/85/657165685.db2.gz SRVYPUCTCNSQIE-SECBINFHSA-N 1 2 293.327 -1.670 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cn(C)c(=O)cn2)C1 ZINC001015325295 657165690 /nfs/dbraw/zinc/16/56/90/657165690.db2.gz SRVYPUCTCNSQIE-SECBINFHSA-N 1 2 293.327 -1.670 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCNC(=O)CC2)C1 ZINC001015403478 657167485 /nfs/dbraw/zinc/16/74/85/657167485.db2.gz MDGRWAMUKBSFDA-GHMZBOCLSA-N 1 2 296.371 -1.161 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CCNC(=O)CC2)C1 ZINC001015403478 657167486 /nfs/dbraw/zinc/16/74/86/657167486.db2.gz MDGRWAMUKBSFDA-GHMZBOCLSA-N 1 2 296.371 -1.161 20 0 CAADLO CN1C(=O)CC[C@@H]1CC(=O)N[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001015492199 657167570 /nfs/dbraw/zinc/16/75/70/657167570.db2.gz GOBMOWJOUYJIDM-NXEZZACHSA-N 1 2 282.344 -1.327 20 0 CAADLO CN1C(=O)CC[C@@H]1CC(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001015492199 657167577 /nfs/dbraw/zinc/16/75/77/657167577.db2.gz GOBMOWJOUYJIDM-NXEZZACHSA-N 1 2 282.344 -1.327 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCNC(=O)CC2)C1 ZINC001015403481 657167689 /nfs/dbraw/zinc/16/76/89/657167689.db2.gz MDGRWAMUKBSFDA-WDEREUQCSA-N 1 2 296.371 -1.161 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCNC(=O)CC2)C1 ZINC001015403481 657167692 /nfs/dbraw/zinc/16/76/92/657167692.db2.gz MDGRWAMUKBSFDA-WDEREUQCSA-N 1 2 296.371 -1.161 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2coc(C(N)=O)c2)C1 ZINC001015385962 657167930 /nfs/dbraw/zinc/16/79/30/657167930.db2.gz FXVBFBLQUUEAKN-SECBINFHSA-N 1 2 294.311 -1.071 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2coc(C(N)=O)c2)C1 ZINC001015385962 657167938 /nfs/dbraw/zinc/16/79/38/657167938.db2.gz FXVBFBLQUUEAKN-SECBINFHSA-N 1 2 294.311 -1.071 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cn(C)nc2OC)C1 ZINC001015494795 657168013 /nfs/dbraw/zinc/16/80/13/657168013.db2.gz GQMDSIZWYHAFLB-VIFPVBQESA-N 1 2 295.343 -1.021 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cn(C)nc2OC)C1 ZINC001015494795 657168019 /nfs/dbraw/zinc/16/80/19/657168019.db2.gz GQMDSIZWYHAFLB-VIFPVBQESA-N 1 2 295.343 -1.021 20 0 CAADLO CN1C(=O)CC[C@H]1CC(=O)N[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001015492202 657168104 /nfs/dbraw/zinc/16/81/04/657168104.db2.gz GOBMOWJOUYJIDM-UWVGGRQHSA-N 1 2 282.344 -1.327 20 0 CAADLO CN1C(=O)CC[C@H]1CC(=O)N[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001015492202 657168110 /nfs/dbraw/zinc/16/81/10/657168110.db2.gz GOBMOWJOUYJIDM-UWVGGRQHSA-N 1 2 282.344 -1.327 20 0 CAADLO Cn1c(=O)[nH]cc(C(=O)N[C@@H]2CC[N@H+](CC(N)=O)C2)c1=O ZINC001015489955 657168297 /nfs/dbraw/zinc/16/82/97/657168297.db2.gz YKFIDDJBHPWDRJ-SSDOTTSWSA-N 1 2 295.299 -2.225 20 0 CAADLO Cn1c(=O)[nH]cc(C(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C2)c1=O ZINC001015489955 657168302 /nfs/dbraw/zinc/16/83/02/657168302.db2.gz YKFIDDJBHPWDRJ-SSDOTTSWSA-N 1 2 295.299 -2.225 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCNC(=O)CC2)C1 ZINC001015405008 657168391 /nfs/dbraw/zinc/16/83/91/657168391.db2.gz UGLUJODJIKEURC-VHSXEESVSA-N 1 2 282.344 -1.422 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCNC(=O)CC2)C1 ZINC001015405008 657168395 /nfs/dbraw/zinc/16/83/95/657168395.db2.gz UGLUJODJIKEURC-VHSXEESVSA-N 1 2 282.344 -1.422 20 0 CAADLO C[C@]1(C(=O)N[C@@H]2CC[N@H+](CC(N)=O)C2)CNC(=O)C1 ZINC001015376860 657168533 /nfs/dbraw/zinc/16/85/33/657168533.db2.gz PELPJDVNSPZUIB-PRHODGIISA-N 1 2 268.317 -1.812 20 0 CAADLO C[C@]1(C(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C2)CNC(=O)C1 ZINC001015376860 657168540 /nfs/dbraw/zinc/16/85/40/657168540.db2.gz PELPJDVNSPZUIB-PRHODGIISA-N 1 2 268.317 -1.812 20 0 CAADLO Cn1nncc1C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCNC2=O)C1 ZINC001015506879 657169481 /nfs/dbraw/zinc/16/94/81/657169481.db2.gz ZSWVLZSWQBRIFP-KOLCDFICSA-N 1 2 292.343 -1.358 20 0 CAADLO Cn1nncc1C[N@H+]1CC[C@@H](NC(=O)[C@H]2CCNC2=O)C1 ZINC001015506879 657169487 /nfs/dbraw/zinc/16/94/87/657169487.db2.gz ZSWVLZSWQBRIFP-KOLCDFICSA-N 1 2 292.343 -1.358 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2c[nH]c(=O)n2C)C1 ZINC001015514179 657169593 /nfs/dbraw/zinc/16/95/93/657169593.db2.gz PHLJJDGPQNLAQI-QMMMGPOBSA-N 1 2 281.316 -1.324 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)c2c[nH]c(=O)n2C)C1 ZINC001015514179 657169595 /nfs/dbraw/zinc/16/95/95/657169595.db2.gz PHLJJDGPQNLAQI-QMMMGPOBSA-N 1 2 281.316 -1.324 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC001015513146 657169706 /nfs/dbraw/zinc/16/97/06/657169706.db2.gz AWRJSVDOBWAOCW-DTWKUNHWSA-N 1 2 283.332 -2.054 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC001015513146 657169712 /nfs/dbraw/zinc/16/97/12/657169712.db2.gz AWRJSVDOBWAOCW-DTWKUNHWSA-N 1 2 283.332 -2.054 20 0 CAADLO CN1C[C@@H](C(=O)N[C@@H]2CC[N@H+](CC(N)=O)C2)NC1=O ZINC001015515514 657170008 /nfs/dbraw/zinc/17/00/08/657170008.db2.gz WQRAJYYJNJMYEF-SFYZADRCSA-N 1 2 269.305 -2.314 20 0 CAADLO CN1C[C@@H](C(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C2)NC1=O ZINC001015515514 657170012 /nfs/dbraw/zinc/17/00/12/657170012.db2.gz WQRAJYYJNJMYEF-SFYZADRCSA-N 1 2 269.305 -2.314 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2c[nH]c(=O)n2C)C1 ZINC001015514178 657170025 /nfs/dbraw/zinc/17/00/25/657170025.db2.gz PHLJJDGPQNLAQI-MRVPVSSYSA-N 1 2 281.316 -1.324 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2c[nH]c(=O)n2C)C1 ZINC001015514178 657170026 /nfs/dbraw/zinc/17/00/26/657170026.db2.gz PHLJJDGPQNLAQI-MRVPVSSYSA-N 1 2 281.316 -1.324 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)CN2CCNC(=O)C2)C1 ZINC001015507101 657170029 /nfs/dbraw/zinc/17/00/29/657170029.db2.gz BHBJPHGZAANQPE-VIFPVBQESA-N 1 2 283.332 -2.906 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)CN2CCNC(=O)C2)C1 ZINC001015507101 657170032 /nfs/dbraw/zinc/17/00/32/657170032.db2.gz BHBJPHGZAANQPE-VIFPVBQESA-N 1 2 283.332 -2.906 20 0 CAADLO Cn1nncc1C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCNC2=O)C1 ZINC001015506878 657170206 /nfs/dbraw/zinc/17/02/06/657170206.db2.gz ZSWVLZSWQBRIFP-GXSJLCMTSA-N 1 2 292.343 -1.358 20 0 CAADLO Cn1nncc1C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCNC2=O)C1 ZINC001015506878 657170213 /nfs/dbraw/zinc/17/02/13/657170213.db2.gz ZSWVLZSWQBRIFP-GXSJLCMTSA-N 1 2 292.343 -1.358 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC001015513140 657170690 /nfs/dbraw/zinc/17/06/90/657170690.db2.gz AWRJSVDOBWAOCW-BDAKNGLRSA-N 1 2 283.332 -2.054 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC001015513140 657170699 /nfs/dbraw/zinc/17/06/99/657170699.db2.gz AWRJSVDOBWAOCW-BDAKNGLRSA-N 1 2 283.332 -2.054 20 0 CAADLO CN1C[C@H](C(=O)N[C@@H]2CC[N@H+](CC(N)=O)C2)NC1=O ZINC001015515504 657170816 /nfs/dbraw/zinc/17/08/16/657170816.db2.gz WQRAJYYJNJMYEF-HTQZYQBOSA-N 1 2 269.305 -2.314 20 0 CAADLO CN1C[C@H](C(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C2)NC1=O ZINC001015515504 657170822 /nfs/dbraw/zinc/17/08/22/657170822.db2.gz WQRAJYYJNJMYEF-HTQZYQBOSA-N 1 2 269.305 -2.314 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CN2CCNC(=O)C2)C1 ZINC001015507493 657171174 /nfs/dbraw/zinc/17/11/74/657171174.db2.gz DKLIRASCCNIVPJ-SNVBAGLBSA-N 1 2 297.359 -2.645 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)CN2CCNC(=O)C2)C1 ZINC001015507493 657171175 /nfs/dbraw/zinc/17/11/75/657171175.db2.gz DKLIRASCCNIVPJ-SNVBAGLBSA-N 1 2 297.359 -2.645 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC001015513147 657171242 /nfs/dbraw/zinc/17/12/42/657171242.db2.gz AWRJSVDOBWAOCW-IUCAKERBSA-N 1 2 283.332 -2.054 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC001015513147 657171255 /nfs/dbraw/zinc/17/12/55/657171255.db2.gz AWRJSVDOBWAOCW-IUCAKERBSA-N 1 2 283.332 -2.054 20 0 CAADLO Cn1cc(C[N@@H+]2CC[C@H](NC(=O)c3nnn(C)n3)C2)cn1 ZINC001015548606 657171711 /nfs/dbraw/zinc/17/17/11/657171711.db2.gz MTCWHIHBHCFPIZ-JTQLQIEISA-N 1 2 290.331 -1.052 20 0 CAADLO Cn1cc(C[N@H+]2CC[C@H](NC(=O)c3nnn(C)n3)C2)cn1 ZINC001015548606 657171717 /nfs/dbraw/zinc/17/17/17/657171717.db2.gz MTCWHIHBHCFPIZ-JTQLQIEISA-N 1 2 290.331 -1.052 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001015556023 657172118 /nfs/dbraw/zinc/17/21/18/657172118.db2.gz FBJUFVCVJVXPJP-WYOJIJJFSA-N 1 2 253.302 -1.445 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001015556023 657172125 /nfs/dbraw/zinc/17/21/25/657172125.db2.gz FBJUFVCVJVXPJP-WYOJIJJFSA-N 1 2 253.302 -1.445 20 0 CAADLO Cn1cncc1C[N@H+]1CC[C@@H](NC(=O)c2nnn(C)n2)C1 ZINC001015545171 657172242 /nfs/dbraw/zinc/17/22/42/657172242.db2.gz JHYVZDWWOFDJGC-SECBINFHSA-N 1 2 290.331 -1.052 20 0 CAADLO Cn1cncc1C[N@@H+]1CC[C@@H](NC(=O)c2nnn(C)n2)C1 ZINC001015545171 657172245 /nfs/dbraw/zinc/17/22/45/657172245.db2.gz JHYVZDWWOFDJGC-SECBINFHSA-N 1 2 290.331 -1.052 20 0 CAADLO Cn1c[nH+]cc1CN1CC[C@@H](NC(=O)c2nnn(C)n2)C1 ZINC001015545171 657172251 /nfs/dbraw/zinc/17/22/51/657172251.db2.gz JHYVZDWWOFDJGC-SECBINFHSA-N 1 2 290.331 -1.052 20 0 CAADLO Cn1cc(C[N@@H+]2CC[C@@H](NC(=O)c3nnn(C)n3)C2)cn1 ZINC001015548608 657172723 /nfs/dbraw/zinc/17/27/23/657172723.db2.gz MTCWHIHBHCFPIZ-SNVBAGLBSA-N 1 2 290.331 -1.052 20 0 CAADLO Cn1cc(C[N@H+]2CC[C@@H](NC(=O)c3nnn(C)n3)C2)cn1 ZINC001015548608 657172733 /nfs/dbraw/zinc/17/27/33/657172733.db2.gz MTCWHIHBHCFPIZ-SNVBAGLBSA-N 1 2 290.331 -1.052 20 0 CAADLO CN1C(=O)CC[C@H]1C(=O)N[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001015533136 657172948 /nfs/dbraw/zinc/17/29/48/657172948.db2.gz WMVWSAORYRCBEC-IUCAKERBSA-N 1 2 268.317 -1.717 20 0 CAADLO CN1C(=O)CC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001015533136 657172955 /nfs/dbraw/zinc/17/29/55/657172955.db2.gz WMVWSAORYRCBEC-IUCAKERBSA-N 1 2 268.317 -1.717 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCC(=O)N2C)C1 ZINC001015533462 657173078 /nfs/dbraw/zinc/17/30/78/657173078.db2.gz YMJIQHBOMLFRLN-ZJUUUORDSA-N 1 2 282.344 -1.456 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCC(=O)N2C)C1 ZINC001015533462 657173081 /nfs/dbraw/zinc/17/30/81/657173081.db2.gz YMJIQHBOMLFRLN-ZJUUUORDSA-N 1 2 282.344 -1.456 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001015556010 657173208 /nfs/dbraw/zinc/17/32/08/657173208.db2.gz FBJUFVCVJVXPJP-REIXXSIJSA-N 1 2 253.302 -1.445 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001015556010 657173213 /nfs/dbraw/zinc/17/32/13/657173213.db2.gz FBJUFVCVJVXPJP-REIXXSIJSA-N 1 2 253.302 -1.445 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCN(C)C2=O)C1 ZINC001015550488 657173238 /nfs/dbraw/zinc/17/32/38/657173238.db2.gz SULOZBWUHKEOGI-VHSXEESVSA-N 1 2 282.344 -1.599 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCN(C)C2=O)C1 ZINC001015550488 657173246 /nfs/dbraw/zinc/17/32/46/657173246.db2.gz SULOZBWUHKEOGI-VHSXEESVSA-N 1 2 282.344 -1.599 20 0 CAADLO CN1CC[C@H](C(=O)N[C@@H]2CC[N@H+](CC(N)=O)C2)C1=O ZINC001015562269 657174302 /nfs/dbraw/zinc/17/43/02/657174302.db2.gz BKVHVVCHPFYSHZ-RKDXNWHRSA-N 1 2 268.317 -1.860 20 0 CAADLO CN1CC[C@H](C(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C2)C1=O ZINC001015562269 657174322 /nfs/dbraw/zinc/17/43/22/657174322.db2.gz BKVHVVCHPFYSHZ-RKDXNWHRSA-N 1 2 268.317 -1.860 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+]1CC[C@H](NC(=O)c2nnn(C)n2)C1 ZINC001015554395 657174857 /nfs/dbraw/zinc/17/48/57/657174857.db2.gz NTQUQHATPYDUEU-YUMQZZPRSA-N 1 2 281.320 -1.851 20 0 CAADLO CNC(=O)[C@H](C)[N@H+]1CC[C@H](NC(=O)c2nnn(C)n2)C1 ZINC001015554395 657174867 /nfs/dbraw/zinc/17/48/67/657174867.db2.gz NTQUQHATPYDUEU-YUMQZZPRSA-N 1 2 281.320 -1.851 20 0 CAADLO C[C@@H](C(=O)N(C)C)[N@@H+]1CC[C@H](NC(=O)c2nnn(C)n2)C1 ZINC001015554607 657175077 /nfs/dbraw/zinc/17/50/77/657175077.db2.gz ORBJTEXQNHSOHN-IUCAKERBSA-N 1 2 295.347 -1.509 20 0 CAADLO C[C@@H](C(=O)N(C)C)[N@H+]1CC[C@H](NC(=O)c2nnn(C)n2)C1 ZINC001015554607 657175078 /nfs/dbraw/zinc/17/50/78/657175078.db2.gz ORBJTEXQNHSOHN-IUCAKERBSA-N 1 2 295.347 -1.509 20 0 CAADLO Cn1nccc1C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001015633778 657177193 /nfs/dbraw/zinc/17/71/93/657177193.db2.gz IRNBFDDLPLHGOE-KOLCDFICSA-N 1 2 292.343 -1.208 20 0 CAADLO Cn1nccc1C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001015633778 657177197 /nfs/dbraw/zinc/17/71/97/657177197.db2.gz IRNBFDDLPLHGOE-KOLCDFICSA-N 1 2 292.343 -1.208 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)c2c[nH]c(=O)cn2)C1 ZINC001015627111 657177965 /nfs/dbraw/zinc/17/79/65/657177965.db2.gz RIPLDNIMJOLZHQ-ZETCQYMHSA-N 1 2 265.273 -1.941 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)c2c[nH]c(=O)cn2)C1 ZINC001015627111 657177968 /nfs/dbraw/zinc/17/79/68/657177968.db2.gz RIPLDNIMJOLZHQ-ZETCQYMHSA-N 1 2 265.273 -1.941 20 0 CAADLO O=C(C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CNC(=O)N2)C1)NC1CC1 ZINC001015634769 657178083 /nfs/dbraw/zinc/17/80/83/657178083.db2.gz NOSNDVSLXIVJAR-ZJUUUORDSA-N 1 2 295.343 -1.863 20 0 CAADLO O=C(C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CNC(=O)N2)C1)NC1CC1 ZINC001015634769 657178090 /nfs/dbraw/zinc/17/80/90/657178090.db2.gz NOSNDVSLXIVJAR-ZJUUUORDSA-N 1 2 295.343 -1.863 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001015634340 657178200 /nfs/dbraw/zinc/17/82/00/657178200.db2.gz LPNVPRZUMNLJQU-HTQZYQBOSA-N 1 2 269.305 -2.396 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001015634340 657178207 /nfs/dbraw/zinc/17/82/07/657178207.db2.gz LPNVPRZUMNLJQU-HTQZYQBOSA-N 1 2 269.305 -2.396 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001015635935 657178902 /nfs/dbraw/zinc/17/89/02/657178902.db2.gz YVEYVVHLTVKFCR-RNFRBKRXSA-N 1 2 255.278 -2.656 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001015635935 657178906 /nfs/dbraw/zinc/17/89/06/657178906.db2.gz YVEYVVHLTVKFCR-RNFRBKRXSA-N 1 2 255.278 -2.656 20 0 CAADLO Cn1nncc1C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001015635796 657178940 /nfs/dbraw/zinc/17/89/40/657178940.db2.gz WYFOQKBCZRFLGP-SCZZXKLOSA-N 1 2 293.331 -1.813 20 0 CAADLO Cn1nncc1C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001015635796 657178946 /nfs/dbraw/zinc/17/89/46/657178946.db2.gz WYFOQKBCZRFLGP-SCZZXKLOSA-N 1 2 293.331 -1.813 20 0 CAADLO NC(=O)C(=O)N[C@H]1CC[N@H+](CC(=O)N2CCCCC2)C1 ZINC001015637534 657178978 /nfs/dbraw/zinc/17/89/78/657178978.db2.gz PBTWQPDWROHGMX-JTQLQIEISA-N 1 2 282.344 -1.325 20 0 CAADLO NC(=O)C(=O)N[C@H]1CC[N@@H+](CC(=O)N2CCCCC2)C1 ZINC001015637534 657178981 /nfs/dbraw/zinc/17/89/81/657178981.db2.gz PBTWQPDWROHGMX-JTQLQIEISA-N 1 2 282.344 -1.325 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001015635936 657179364 /nfs/dbraw/zinc/17/93/64/657179364.db2.gz YVEYVVHLTVKFCR-RQJHMYQMSA-N 1 2 255.278 -2.656 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001015635936 657179369 /nfs/dbraw/zinc/17/93/69/657179369.db2.gz YVEYVVHLTVKFCR-RQJHMYQMSA-N 1 2 255.278 -2.656 20 0 CAADLO Cn1nncc1C[N@@H+]1CC[C@H](NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001015635797 657179604 /nfs/dbraw/zinc/17/96/04/657179604.db2.gz WYFOQKBCZRFLGP-WCBMZHEXSA-N 1 2 293.331 -1.813 20 0 CAADLO Cn1nncc1C[N@H+]1CC[C@H](NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001015635797 657179613 /nfs/dbraw/zinc/17/96/13/657179613.db2.gz WYFOQKBCZRFLGP-WCBMZHEXSA-N 1 2 293.331 -1.813 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001015635934 657179704 /nfs/dbraw/zinc/17/97/04/657179704.db2.gz YVEYVVHLTVKFCR-NKWVEPMBSA-N 1 2 255.278 -2.656 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001015635934 657179712 /nfs/dbraw/zinc/17/97/12/657179712.db2.gz YVEYVVHLTVKFCR-NKWVEPMBSA-N 1 2 255.278 -2.656 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001015635933 657179822 /nfs/dbraw/zinc/17/98/22/657179822.db2.gz YVEYVVHLTVKFCR-BQBZGAKWSA-N 1 2 255.278 -2.656 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001015635933 657179826 /nfs/dbraw/zinc/17/98/26/657179826.db2.gz YVEYVVHLTVKFCR-BQBZGAKWSA-N 1 2 255.278 -2.656 20 0 CAADLO NC(=O)C(=O)N[C@@H]1CC[N@H+](CC(=O)N2CCCCC2)C1 ZINC001015637535 657180762 /nfs/dbraw/zinc/18/07/62/657180762.db2.gz PBTWQPDWROHGMX-SNVBAGLBSA-N 1 2 282.344 -1.325 20 0 CAADLO NC(=O)C(=O)N[C@@H]1CC[N@@H+](CC(=O)N2CCCCC2)C1 ZINC001015637535 657180765 /nfs/dbraw/zinc/18/07/65/657180765.db2.gz PBTWQPDWROHGMX-SNVBAGLBSA-N 1 2 282.344 -1.325 20 0 CAADLO Cc1csc(=O)n1CC[N@@H+]1CC[C@@H](NC(=O)C(N)=O)C1 ZINC001015639832 657180847 /nfs/dbraw/zinc/18/08/47/657180847.db2.gz AIBKCSCSZAWYIZ-SECBINFHSA-N 1 2 298.368 -1.106 20 0 CAADLO Cc1csc(=O)n1CC[N@H+]1CC[C@@H](NC(=O)C(N)=O)C1 ZINC001015639832 657180851 /nfs/dbraw/zinc/18/08/51/657180851.db2.gz AIBKCSCSZAWYIZ-SECBINFHSA-N 1 2 298.368 -1.106 20 0 CAADLO Cn1cc(C[N@@H+]2CC[C@@H](NC(=O)C(N)=O)C2)cn1 ZINC001015638064 657181092 /nfs/dbraw/zinc/18/10/92/657181092.db2.gz WVIPJYUIZKNCET-SECBINFHSA-N 1 2 251.290 -1.404 20 0 CAADLO Cn1cc(C[N@H+]2CC[C@@H](NC(=O)C(N)=O)C2)cn1 ZINC001015638064 657181100 /nfs/dbraw/zinc/18/11/00/657181100.db2.gz WVIPJYUIZKNCET-SECBINFHSA-N 1 2 251.290 -1.404 20 0 CAADLO NC(=O)C(=O)N[C@H]1CC[N@H+](CC(=O)N2CCC2)C1 ZINC001015638188 657181532 /nfs/dbraw/zinc/18/15/32/657181532.db2.gz ZTKRPJUWDHTMHA-QMMMGPOBSA-N 1 2 254.290 -2.106 20 0 CAADLO NC(=O)C(=O)N[C@H]1CC[N@@H+](CC(=O)N2CCC2)C1 ZINC001015638188 657181537 /nfs/dbraw/zinc/18/15/37/657181537.db2.gz ZTKRPJUWDHTMHA-QMMMGPOBSA-N 1 2 254.290 -2.106 20 0 CAADLO Cc1csc(=O)n1CC[N@@H+]1CC[C@H](NC(=O)C(N)=O)C1 ZINC001015639833 657181588 /nfs/dbraw/zinc/18/15/88/657181588.db2.gz AIBKCSCSZAWYIZ-VIFPVBQESA-N 1 2 298.368 -1.106 20 0 CAADLO Cc1csc(=O)n1CC[N@H+]1CC[C@H](NC(=O)C(N)=O)C1 ZINC001015639833 657181596 /nfs/dbraw/zinc/18/15/96/657181596.db2.gz AIBKCSCSZAWYIZ-VIFPVBQESA-N 1 2 298.368 -1.106 20 0 CAADLO NC(=O)C(=O)N[C@@H]1CC[N@H+](CC(=O)N2CCC2)C1 ZINC001015638186 657181991 /nfs/dbraw/zinc/18/19/91/657181991.db2.gz ZTKRPJUWDHTMHA-MRVPVSSYSA-N 1 2 254.290 -2.106 20 0 CAADLO NC(=O)C(=O)N[C@@H]1CC[N@@H+](CC(=O)N2CCC2)C1 ZINC001015638186 657181996 /nfs/dbraw/zinc/18/19/96/657181996.db2.gz ZTKRPJUWDHTMHA-MRVPVSSYSA-N 1 2 254.290 -2.106 20 0 CAADLO NC(=O)C(=O)N[C@@H]1CC[N@H+](C[C@@H]2CCS(=O)(=O)C2)C1 ZINC001015640814 657182020 /nfs/dbraw/zinc/18/20/20/657182020.db2.gz RHXXHGCZOOSSJL-DTWKUNHWSA-N 1 2 289.357 -1.903 20 0 CAADLO NC(=O)C(=O)N[C@@H]1CC[N@@H+](C[C@@H]2CCS(=O)(=O)C2)C1 ZINC001015640814 657182025 /nfs/dbraw/zinc/18/20/25/657182025.db2.gz RHXXHGCZOOSSJL-DTWKUNHWSA-N 1 2 289.357 -1.903 20 0 CAADLO C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@@H](NC(=O)C(N)=O)C2)CCO1 ZINC001015641634 657182785 /nfs/dbraw/zinc/18/27/85/657182785.db2.gz LRRDGTJLMHFNAC-NXEZZACHSA-N 1 2 298.343 -2.091 20 0 CAADLO C[C@@H]1CN(C(=O)C[N@H+]2CC[C@@H](NC(=O)C(N)=O)C2)CCO1 ZINC001015641634 657182791 /nfs/dbraw/zinc/18/27/91/657182791.db2.gz LRRDGTJLMHFNAC-NXEZZACHSA-N 1 2 298.343 -2.091 20 0 CAADLO Cn1c(C(=O)N[C@@H]2CC[N@H+](CC(N)=O)C2)cccc1=O ZINC001015681076 657182859 /nfs/dbraw/zinc/18/28/59/657182859.db2.gz FQPRMWNQFQKUMC-SECBINFHSA-N 1 2 278.312 -1.325 20 0 CAADLO Cn1c(C(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C2)cccc1=O ZINC001015681076 657182865 /nfs/dbraw/zinc/18/28/65/657182865.db2.gz FQPRMWNQFQKUMC-SECBINFHSA-N 1 2 278.312 -1.325 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001015696868 657183294 /nfs/dbraw/zinc/18/32/94/657183294.db2.gz HAUUESNSUDMAFT-HRDYMLBCSA-N 1 2 284.316 -2.305 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001015696868 657183300 /nfs/dbraw/zinc/18/33/00/657183300.db2.gz HAUUESNSUDMAFT-HRDYMLBCSA-N 1 2 284.316 -2.305 20 0 CAADLO CN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)C(N)=O)C2)C1=O ZINC001015641498 657183339 /nfs/dbraw/zinc/18/33/39/657183339.db2.gz KEGOXOJLOJACBJ-JGVFFNPUSA-N 1 2 254.290 -2.107 20 0 CAADLO CN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)C(N)=O)C2)C1=O ZINC001015641498 657183349 /nfs/dbraw/zinc/18/33/49/657183349.db2.gz KEGOXOJLOJACBJ-JGVFFNPUSA-N 1 2 254.290 -2.107 20 0 CAADLO NC(=O)C(=O)N[C@@H]1CC[N@@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001015641131 657183479 /nfs/dbraw/zinc/18/34/79/657183479.db2.gz ZBFBVIPKTBLZTN-RNFRBKRXSA-N 1 2 268.273 -2.533 20 0 CAADLO NC(=O)C(=O)N[C@@H]1CC[N@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001015641131 657183488 /nfs/dbraw/zinc/18/34/88/657183488.db2.gz ZBFBVIPKTBLZTN-RNFRBKRXSA-N 1 2 268.273 -2.533 20 0 CAADLO CC(C)N1CC[C@H]([N@@H+]2CC[C@@H](NC(=O)C(N)=O)C2)C1=O ZINC001015641351 657183634 /nfs/dbraw/zinc/18/36/34/657183634.db2.gz HSGHPOVXFZEANF-ZJUUUORDSA-N 1 2 282.344 -1.329 20 0 CAADLO CC(C)N1CC[C@H]([N@H+]2CC[C@@H](NC(=O)C(N)=O)C2)C1=O ZINC001015641351 657183638 /nfs/dbraw/zinc/18/36/38/657183638.db2.gz HSGHPOVXFZEANF-ZJUUUORDSA-N 1 2 282.344 -1.329 20 0 CAADLO CN1CC(C(=O)N[C@H]2CC[N@H+](CCO)C2)=NC1=O ZINC001015657959 657183747 /nfs/dbraw/zinc/18/37/47/657183747.db2.gz DDOBEVRQPGVVEC-QMMMGPOBSA-N 1 2 254.290 -1.078 20 0 CAADLO CN1CC(C(=O)N[C@H]2CC[N@@H+](CCO)C2)=NC1=O ZINC001015657959 657183751 /nfs/dbraw/zinc/18/37/51/657183751.db2.gz DDOBEVRQPGVVEC-QMMMGPOBSA-N 1 2 254.290 -1.078 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@]2(C)CCNC2=O)C1 ZINC001015695678 657184345 /nfs/dbraw/zinc/18/43/45/657184345.db2.gz NKQRKDXHZQMGAT-ZANVPECISA-N 1 2 282.344 -1.551 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@]2(C)CCNC2=O)C1 ZINC001015695678 657184355 /nfs/dbraw/zinc/18/43/55/657184355.db2.gz NKQRKDXHZQMGAT-ZANVPECISA-N 1 2 282.344 -1.551 20 0 CAADLO CN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)C(N)=O)C2)C1=O ZINC001015641500 657184531 /nfs/dbraw/zinc/18/45/31/657184531.db2.gz KEGOXOJLOJACBJ-YUMQZZPRSA-N 1 2 254.290 -2.107 20 0 CAADLO CN1CC[C@H]([N@H+]2CC[C@H](NC(=O)C(N)=O)C2)C1=O ZINC001015641500 657184535 /nfs/dbraw/zinc/18/45/35/657184535.db2.gz KEGOXOJLOJACBJ-YUMQZZPRSA-N 1 2 254.290 -2.107 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)c2ccc(C(N)=O)[nH]2)C1 ZINC001015713813 657185783 /nfs/dbraw/zinc/18/57/83/657185783.db2.gz RGKBFMSLWDKINP-ZETCQYMHSA-N 1 2 279.300 -1.597 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)c2ccc(C(N)=O)[nH]2)C1 ZINC001015713813 657185790 /nfs/dbraw/zinc/18/57/90/657185790.db2.gz RGKBFMSLWDKINP-ZETCQYMHSA-N 1 2 279.300 -1.597 20 0 CAADLO Cc1ccn(CC(=O)N[C@@H]2CC[N@H+](CC(N)=O)C2)c(=O)c1 ZINC001015778930 657186438 /nfs/dbraw/zinc/18/64/38/657186438.db2.gz WTWHCROXGQUYSV-LLVKDONJSA-N 1 2 292.339 -1.167 20 0 CAADLO Cc1ccn(CC(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C2)c(=O)c1 ZINC001015778930 657186446 /nfs/dbraw/zinc/18/64/46/657186446.db2.gz WTWHCROXGQUYSV-LLVKDONJSA-N 1 2 292.339 -1.167 20 0 CAADLO CCCN1C[C@@H](C(=O)N[C@@H]2CC[N@H+](CC(N)=O)C2)CC1=O ZINC001015775352 657186487 /nfs/dbraw/zinc/18/64/87/657186487.db2.gz LFJZGTRJNFWQOJ-WDEREUQCSA-N 1 2 296.371 -1.079 20 0 CAADLO CCCN1C[C@@H](C(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C2)CC1=O ZINC001015775352 657186490 /nfs/dbraw/zinc/18/64/90/657186490.db2.gz LFJZGTRJNFWQOJ-WDEREUQCSA-N 1 2 296.371 -1.079 20 0 CAADLO CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001015707346 657186609 /nfs/dbraw/zinc/18/66/09/657186609.db2.gz OVRXDYDFYYDTPK-LPEHRKFASA-N 1 2 282.344 -1.614 20 0 CAADLO CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001015707346 657186615 /nfs/dbraw/zinc/18/66/15/657186615.db2.gz OVRXDYDFYYDTPK-LPEHRKFASA-N 1 2 282.344 -1.614 20 0 CAADLO Cn1nncc1C[N@@H+]1CC[C@H](NC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001015711965 657186732 /nfs/dbraw/zinc/18/67/32/657186732.db2.gz VLLJBQDSDZPAAB-GDPRMGEGSA-N 1 2 292.343 -1.373 20 0 CAADLO Cn1nncc1C[N@H+]1CC[C@H](NC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001015711965 657186735 /nfs/dbraw/zinc/18/67/35/657186735.db2.gz VLLJBQDSDZPAAB-GDPRMGEGSA-N 1 2 292.343 -1.373 20 0 CAADLO Cn1nnnc1CN1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001015765188 657186912 /nfs/dbraw/zinc/18/69/12/657186912.db2.gz LUONCHWFMBSBJA-VIFPVBQESA-N 1 2 290.331 -1.134 20 0 CAADLO NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@H]1CC[N@H+](CC(=O)NC2CC2)C1 ZINC001015711837 657186938 /nfs/dbraw/zinc/18/69/38/657186938.db2.gz RODMECQVFIVYOL-AXFHLTTASA-N 1 2 294.355 -1.423 20 0 CAADLO NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@H]1CC[N@@H+](CC(=O)NC2CC2)C1 ZINC001015711837 657186943 /nfs/dbraw/zinc/18/69/43/657186943.db2.gz RODMECQVFIVYOL-AXFHLTTASA-N 1 2 294.355 -1.423 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2C[C@H]2C(=O)N(C)C)C1 ZINC001015707872 657187036 /nfs/dbraw/zinc/18/70/36/657187036.db2.gz UTQLGNAIWFZIQT-OUAUKWLOSA-N 1 2 296.371 -1.353 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@H]2C[C@H]2C(=O)N(C)C)C1 ZINC001015707872 657187042 /nfs/dbraw/zinc/18/70/42/657187042.db2.gz UTQLGNAIWFZIQT-OUAUKWLOSA-N 1 2 296.371 -1.353 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)c2ccc(C(N)=O)[nH]2)C1 ZINC001015711237 657187151 /nfs/dbraw/zinc/18/71/51/657187151.db2.gz AMXMNTDVOVSXOZ-HTQZYQBOSA-N 1 2 293.327 -1.209 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)c2ccc(C(N)=O)[nH]2)C1 ZINC001015711237 657187159 /nfs/dbraw/zinc/18/71/59/657187159.db2.gz AMXMNTDVOVSXOZ-HTQZYQBOSA-N 1 2 293.327 -1.209 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001015837115 657187883 /nfs/dbraw/zinc/18/78/83/657187883.db2.gz MOMCQRNNMFKZFI-SECBINFHSA-N 1 2 296.327 -2.024 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001015837115 657187887 /nfs/dbraw/zinc/18/78/87/657187887.db2.gz MOMCQRNNMFKZFI-SECBINFHSA-N 1 2 296.327 -2.024 20 0 CAADLO O=C(N[C@H]1CC[N@@H+](CCO)C1)C1CCS(=O)(=O)CC1 ZINC001015787597 657187986 /nfs/dbraw/zinc/18/79/86/657187986.db2.gz YOZBEJOKRPTVHV-NSHDSACASA-N 1 2 290.385 -1.006 20 0 CAADLO O=C(N[C@H]1CC[N@H+](CCO)C1)C1CCS(=O)(=O)CC1 ZINC001015787597 657187988 /nfs/dbraw/zinc/18/79/88/657187988.db2.gz YOZBEJOKRPTVHV-NSHDSACASA-N 1 2 290.385 -1.006 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001015836464 657188425 /nfs/dbraw/zinc/18/84/25/657188425.db2.gz GSYGUTTXULQMID-MRVPVSSYSA-N 1 2 282.300 -2.285 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001015836464 657188432 /nfs/dbraw/zinc/18/84/32/657188432.db2.gz GSYGUTTXULQMID-MRVPVSSYSA-N 1 2 282.300 -2.285 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001015837116 657188574 /nfs/dbraw/zinc/18/85/74/657188574.db2.gz MOMCQRNNMFKZFI-VIFPVBQESA-N 1 2 296.327 -2.024 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001015837116 657188579 /nfs/dbraw/zinc/18/85/79/657188579.db2.gz MOMCQRNNMFKZFI-VIFPVBQESA-N 1 2 296.327 -2.024 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cnn(C)n2)C1 ZINC001015843256 657188859 /nfs/dbraw/zinc/18/88/59/657188859.db2.gz YDUCPLMVHOTEBA-MRVPVSSYSA-N 1 2 266.305 -1.635 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cnn(C)n2)C1 ZINC001015843256 657188861 /nfs/dbraw/zinc/18/88/61/657188861.db2.gz YDUCPLMVHOTEBA-MRVPVSSYSA-N 1 2 266.305 -1.635 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)c2cnn(C)n2)C1 ZINC001015840720 657189183 /nfs/dbraw/zinc/18/91/83/657189183.db2.gz BOAIKQVKDJAQAB-JGVFFNPUSA-N 1 2 266.305 -1.507 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)c2cnn(C)n2)C1 ZINC001015840720 657189189 /nfs/dbraw/zinc/18/91/89/657189189.db2.gz BOAIKQVKDJAQAB-JGVFFNPUSA-N 1 2 266.305 -1.507 20 0 CAADLO Cn1ncc(C(=O)N[C@H]2CC[N@H+](CC(=O)N3CCC3)C2)n1 ZINC001015845111 657189832 /nfs/dbraw/zinc/18/98/32/657189832.db2.gz MPKGZPMELLRYAD-JTQLQIEISA-N 1 2 292.343 -1.149 20 0 CAADLO Cn1ncc(C(=O)N[C@H]2CC[N@@H+](CC(=O)N3CCC3)C2)n1 ZINC001015845111 657189836 /nfs/dbraw/zinc/18/98/36/657189836.db2.gz MPKGZPMELLRYAD-JTQLQIEISA-N 1 2 292.343 -1.149 20 0 CAADLO Cn1ncc(C(=O)N[C@@H]2CC[N@@H+]([C@@H]3CCNC3=O)C2)n1 ZINC001015845742 657190600 /nfs/dbraw/zinc/19/06/00/657190600.db2.gz QFFUXWJHJAAWMI-PSASIEDQSA-N 1 2 278.316 -1.492 20 0 CAADLO Cn1ncc(C(=O)N[C@@H]2CC[N@H+]([C@@H]3CCNC3=O)C2)n1 ZINC001015845742 657190601 /nfs/dbraw/zinc/19/06/01/657190601.db2.gz QFFUXWJHJAAWMI-PSASIEDQSA-N 1 2 278.316 -1.492 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CN2CC(=O)NC2=O)C1 ZINC001015864968 657190934 /nfs/dbraw/zinc/19/09/34/657190934.db2.gz MPCZOAZHZUKSDT-MRVPVSSYSA-N 1 2 297.315 -2.525 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)CN2CC(=O)NC2=O)C1 ZINC001015864968 657190941 /nfs/dbraw/zinc/19/09/41/657190941.db2.gz MPCZOAZHZUKSDT-MRVPVSSYSA-N 1 2 297.315 -2.525 20 0 CAADLO Cn1ncc(C(=O)N[C@H]2CC[N@@H+]([C@@H]3CCNC3=O)C2)n1 ZINC001015845744 657191634 /nfs/dbraw/zinc/19/16/34/657191634.db2.gz QFFUXWJHJAAWMI-WCBMZHEXSA-N 1 2 278.316 -1.492 20 0 CAADLO Cn1ncc(C(=O)N[C@H]2CC[N@H+]([C@@H]3CCNC3=O)C2)n1 ZINC001015845744 657191640 /nfs/dbraw/zinc/19/16/40/657191640.db2.gz QFFUXWJHJAAWMI-WCBMZHEXSA-N 1 2 278.316 -1.492 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)c2cnon2)C1 ZINC001015876676 657192169 /nfs/dbraw/zinc/19/21/69/657192169.db2.gz NDUMOFHLRXJKQR-RQJHMYQMSA-N 1 2 253.262 -1.253 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)c2cnon2)C1 ZINC001015876676 657192181 /nfs/dbraw/zinc/19/21/81/657192181.db2.gz NDUMOFHLRXJKQR-RQJHMYQMSA-N 1 2 253.262 -1.253 20 0 CAADLO Cn1nnnc1CN1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001015903222 657192421 /nfs/dbraw/zinc/19/24/21/657192421.db2.gz WOVXZHGYDSCERA-SECBINFHSA-N 1 2 290.331 -1.134 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)c2cc(C(N)=O)c[nH]2)C1 ZINC001015903931 657192435 /nfs/dbraw/zinc/19/24/35/657192435.db2.gz AGWBNOTXOOCGMB-CBAPKCEASA-N 1 2 293.327 -1.209 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)c2cc(C(N)=O)c[nH]2)C1 ZINC001015903931 657192443 /nfs/dbraw/zinc/19/24/43/657192443.db2.gz AGWBNOTXOOCGMB-CBAPKCEASA-N 1 2 293.327 -1.209 20 0 CAADLO O=C(N[C@H]1CC[N@@H+]([C@H]2CCC(=O)NC2=O)C1)c1cnon1 ZINC001015877671 657192569 /nfs/dbraw/zinc/19/25/69/657192569.db2.gz XVZPXANGBUOVPZ-CBAPKCEASA-N 1 2 293.283 -1.321 20 0 CAADLO O=C(N[C@H]1CC[N@H+]([C@H]2CCC(=O)NC2=O)C1)c1cnon1 ZINC001015877671 657192575 /nfs/dbraw/zinc/19/25/75/657192575.db2.gz XVZPXANGBUOVPZ-CBAPKCEASA-N 1 2 293.283 -1.321 20 0 CAADLO CCn1cc(C(=O)N[C@@H]2CC[N@@H+]([C@@H](C)C(N)=O)C2)nn1 ZINC001015915990 657192700 /nfs/dbraw/zinc/19/27/00/657192700.db2.gz BBUFSMGYTBPLQR-DTWKUNHWSA-N 1 2 280.332 -1.024 20 0 CAADLO CCn1cc(C(=O)N[C@@H]2CC[N@H+]([C@@H](C)C(N)=O)C2)nn1 ZINC001015915990 657192702 /nfs/dbraw/zinc/19/27/02/657192702.db2.gz BBUFSMGYTBPLQR-DTWKUNHWSA-N 1 2 280.332 -1.024 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)c2cnon2)C1 ZINC001015876675 657192718 /nfs/dbraw/zinc/19/27/18/657192718.db2.gz NDUMOFHLRXJKQR-RNFRBKRXSA-N 1 2 253.262 -1.253 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)c2cnon2)C1 ZINC001015876675 657192719 /nfs/dbraw/zinc/19/27/19/657192719.db2.gz NDUMOFHLRXJKQR-RNFRBKRXSA-N 1 2 253.262 -1.253 20 0 CAADLO O=C(N[C@H]1CC[N@@H+]([C@H]2CCNC2=O)C1)c1cnon1 ZINC001015876654 657192787 /nfs/dbraw/zinc/19/27/87/657192787.db2.gz NAIKRVIDMYDACA-CBAPKCEASA-N 1 2 265.273 -1.238 20 0 CAADLO O=C(N[C@H]1CC[N@H+]([C@H]2CCNC2=O)C1)c1cnon1 ZINC001015876654 657192792 /nfs/dbraw/zinc/19/27/92/657192792.db2.gz NAIKRVIDMYDACA-CBAPKCEASA-N 1 2 265.273 -1.238 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)CN2CCC(=O)NC2=O)C1 ZINC001015949394 657192926 /nfs/dbraw/zinc/19/29/26/657192926.db2.gz PXZBHFZMFYLNIH-MRVPVSSYSA-N 1 2 297.315 -2.396 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)CN2CCC(=O)NC2=O)C1 ZINC001015949394 657192930 /nfs/dbraw/zinc/19/29/30/657192930.db2.gz PXZBHFZMFYLNIH-MRVPVSSYSA-N 1 2 297.315 -2.396 20 0 CAADLO O=C(N[C@@H]1CC[N@@H+]([C@H]2CCC(=O)NC2=O)C1)c1cnon1 ZINC001015877669 657193227 /nfs/dbraw/zinc/19/32/27/657193227.db2.gz XVZPXANGBUOVPZ-APPZFPTMSA-N 1 2 293.283 -1.321 20 0 CAADLO O=C(N[C@@H]1CC[N@H+]([C@H]2CCC(=O)NC2=O)C1)c1cnon1 ZINC001015877669 657193239 /nfs/dbraw/zinc/19/32/39/657193239.db2.gz XVZPXANGBUOVPZ-APPZFPTMSA-N 1 2 293.283 -1.321 20 0 CAADLO O=C(N[C@@H]1CC[N@@H+]([C@H]2CCNC2=O)C1)c1cnon1 ZINC001015876651 657193313 /nfs/dbraw/zinc/19/33/13/657193313.db2.gz NAIKRVIDMYDACA-APPZFPTMSA-N 1 2 265.273 -1.238 20 0 CAADLO O=C(N[C@@H]1CC[N@H+]([C@H]2CCNC2=O)C1)c1cnon1 ZINC001015876651 657193319 /nfs/dbraw/zinc/19/33/19/657193319.db2.gz NAIKRVIDMYDACA-APPZFPTMSA-N 1 2 265.273 -1.238 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cc(C(N)=O)c[nH]2)C1 ZINC001015904885 657193697 /nfs/dbraw/zinc/19/36/97/657193697.db2.gz MYVWQQXAAMHYTG-SECBINFHSA-N 1 2 293.327 -1.336 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cc(C(N)=O)c[nH]2)C1 ZINC001015904885 657193700 /nfs/dbraw/zinc/19/37/00/657193700.db2.gz MYVWQQXAAMHYTG-SECBINFHSA-N 1 2 293.327 -1.336 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cc2nonc2C)C1 ZINC001015924138 657193854 /nfs/dbraw/zinc/19/38/54/657193854.db2.gz GDNDGWYUXXFWHZ-SECBINFHSA-N 1 2 281.316 -1.143 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)Cc2nonc2C)C1 ZINC001015924138 657193862 /nfs/dbraw/zinc/19/38/62/657193862.db2.gz GDNDGWYUXXFWHZ-SECBINFHSA-N 1 2 281.316 -1.143 20 0 CAADLO O=C(N[C@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1)c1cnon1 ZINC001015876655 657193920 /nfs/dbraw/zinc/19/39/20/657193920.db2.gz NAIKRVIDMYDACA-IONNQARKSA-N 1 2 265.273 -1.238 20 0 CAADLO O=C(N[C@H]1CC[N@H+]([C@@H]2CCNC2=O)C1)c1cnon1 ZINC001015876655 657193926 /nfs/dbraw/zinc/19/39/26/657193926.db2.gz NAIKRVIDMYDACA-IONNQARKSA-N 1 2 265.273 -1.238 20 0 CAADLO O=C(Cc1nc[nH]n1)N[C@@H]1CC[N@@H+](CC(=O)NC2CC2)C1 ZINC001015968519 657194459 /nfs/dbraw/zinc/19/44/59/657194459.db2.gz ZRIAWGFVELGKDM-SNVBAGLBSA-N 1 2 292.343 -1.184 20 0 CAADLO O=C(Cc1nc[nH]n1)N[C@@H]1CC[N@H+](CC(=O)NC2CC2)C1 ZINC001015968519 657194470 /nfs/dbraw/zinc/19/44/70/657194470.db2.gz ZRIAWGFVELGKDM-SNVBAGLBSA-N 1 2 292.343 -1.184 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)Cc2nc[nH]n2)C1 ZINC001015967654 657194502 /nfs/dbraw/zinc/19/45/02/657194502.db2.gz KXZPHWRBEKRRAN-QMMMGPOBSA-N 1 2 266.305 -1.716 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)Cc2nc[nH]n2)C1 ZINC001015967654 657194511 /nfs/dbraw/zinc/19/45/11/657194511.db2.gz KXZPHWRBEKRRAN-QMMMGPOBSA-N 1 2 266.305 -1.716 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)Cc2nc[nH]n2)C1 ZINC001015966938 657194903 /nfs/dbraw/zinc/19/49/03/657194903.db2.gz BVZXYHOFDFJBAQ-SSDOTTSWSA-N 1 2 252.278 -1.977 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cc2cncn2C)C1 ZINC001015995804 657194751 /nfs/dbraw/zinc/19/47/51/657194751.db2.gz AJBFFJZMTPPVPM-SNVBAGLBSA-N 1 2 279.344 -1.101 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)Cc2cncn2C)C1 ZINC001015995804 657194760 /nfs/dbraw/zinc/19/47/60/657194760.db2.gz AJBFFJZMTPPVPM-SNVBAGLBSA-N 1 2 279.344 -1.101 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cc2nc[nH]n2)C1 ZINC001015967647 657194861 /nfs/dbraw/zinc/19/48/61/657194861.db2.gz KXZPHWRBEKRRAN-MRVPVSSYSA-N 1 2 266.305 -1.716 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)Cc2nc[nH]n2)C1 ZINC001015967647 657194864 /nfs/dbraw/zinc/19/48/64/657194864.db2.gz KXZPHWRBEKRRAN-MRVPVSSYSA-N 1 2 266.305 -1.716 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cc2nc[nH]n2)C1 ZINC001015966938 657194900 /nfs/dbraw/zinc/19/49/00/657194900.db2.gz BVZXYHOFDFJBAQ-SSDOTTSWSA-N 1 2 252.278 -1.977 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001016027589 657195151 /nfs/dbraw/zinc/19/51/51/657195151.db2.gz RDDHNMOGYOOWCB-IUCAKERBSA-N 1 2 268.317 -1.799 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001016027589 657195157 /nfs/dbraw/zinc/19/51/57/657195157.db2.gz RDDHNMOGYOOWCB-IUCAKERBSA-N 1 2 268.317 -1.799 20 0 CAADLO CN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)Cc2nc[nH]n2)C1 ZINC001015967152 657195269 /nfs/dbraw/zinc/19/52/69/657195269.db2.gz FVQGMLWHRSDWPD-VIFPVBQESA-N 1 2 280.332 -1.374 20 0 CAADLO CN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)Cc2nc[nH]n2)C1 ZINC001015967152 657195275 /nfs/dbraw/zinc/19/52/75/657195275.db2.gz FVQGMLWHRSDWPD-VIFPVBQESA-N 1 2 280.332 -1.374 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCc3n[nH]nc3C2)C1 ZINC001015994498 657195495 /nfs/dbraw/zinc/19/54/95/657195495.db2.gz WDZKDYFLRYNPDF-DTWKUNHWSA-N 1 2 292.343 -1.415 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CCc3n[nH]nc3C2)C1 ZINC001015994498 657195501 /nfs/dbraw/zinc/19/55/01/657195501.db2.gz WDZKDYFLRYNPDF-DTWKUNHWSA-N 1 2 292.343 -1.415 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCc3n[nH]nc3C2)C1 ZINC001015994503 657195986 /nfs/dbraw/zinc/19/59/86/657195986.db2.gz WDZKDYFLRYNPDF-IUCAKERBSA-N 1 2 292.343 -1.415 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCc3n[nH]nc3C2)C1 ZINC001015994503 657195995 /nfs/dbraw/zinc/19/59/95/657195995.db2.gz WDZKDYFLRYNPDF-IUCAKERBSA-N 1 2 292.343 -1.415 20 0 CAADLO Cn1nncc1C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001016029229 657196241 /nfs/dbraw/zinc/19/62/41/657196241.db2.gz DSDFMOJJVPXWJQ-ONGXEEELSA-N 1 2 292.343 -1.216 20 0 CAADLO Cn1nncc1C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001016029229 657196253 /nfs/dbraw/zinc/19/62/53/657196253.db2.gz DSDFMOJJVPXWJQ-ONGXEEELSA-N 1 2 292.343 -1.216 20 0 CAADLO Cn1cccc(C(=O)N[C@@H]2CC[N@H+](CC(N)=O)C2)c1=O ZINC001016013120 657196486 /nfs/dbraw/zinc/19/64/86/657196486.db2.gz KKWXGNJONMZBIH-SECBINFHSA-N 1 2 278.312 -1.325 20 0 CAADLO Cn1cccc(C(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C2)c1=O ZINC001016013120 657196491 /nfs/dbraw/zinc/19/64/91/657196491.db2.gz KKWXGNJONMZBIH-SECBINFHSA-N 1 2 278.312 -1.325 20 0 CAADLO CN1CCCC[C@H](C(=O)N[C@@H]2CC[N@H+](CC(N)=O)C2)C1=O ZINC001015983558 657196693 /nfs/dbraw/zinc/19/66/93/657196693.db2.gz FBFCZAPXJFJEGO-GHMZBOCLSA-N 1 2 296.371 -1.079 20 0 CAADLO CN1CCCC[C@H](C(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C2)C1=O ZINC001015983558 657196700 /nfs/dbraw/zinc/19/67/00/657196700.db2.gz FBFCZAPXJFJEGO-GHMZBOCLSA-N 1 2 296.371 -1.079 20 0 CAADLO CC(=O)N1CC[C@@H](C(=O)N[C@@H]2CC[N@H+](CC(N)=O)C2)C1 ZINC001016120609 657197655 /nfs/dbraw/zinc/19/76/55/657197655.db2.gz RTMFSKULCJXRNK-GHMZBOCLSA-N 1 2 282.344 -1.469 20 0 CAADLO CC(=O)N1CC[C@@H](C(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C2)C1 ZINC001016120609 657197665 /nfs/dbraw/zinc/19/76/65/657197665.db2.gz RTMFSKULCJXRNK-GHMZBOCLSA-N 1 2 282.344 -1.469 20 0 CAADLO CC(=O)N1CCO[C@@H](C(=O)N[C@@H]2CC[N@H+](CC(N)=O)C2)C1 ZINC001016145731 657197700 /nfs/dbraw/zinc/19/77/00/657197700.db2.gz SMSYQRXIVQTLBD-GHMZBOCLSA-N 1 2 298.343 -2.091 20 0 CAADLO CC(=O)N1CCO[C@@H](C(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C2)C1 ZINC001016145731 657197710 /nfs/dbraw/zinc/19/77/10/657197710.db2.gz SMSYQRXIVQTLBD-GHMZBOCLSA-N 1 2 298.343 -2.091 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cnn(C)c2OC)C1 ZINC001016104107 657197762 /nfs/dbraw/zinc/19/77/62/657197762.db2.gz OCVIJLGXAUKLQN-VIFPVBQESA-N 1 2 295.343 -1.021 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cnn(C)c2OC)C1 ZINC001016104107 657197769 /nfs/dbraw/zinc/19/77/69/657197769.db2.gz OCVIJLGXAUKLQN-VIFPVBQESA-N 1 2 295.343 -1.021 20 0 CAADLO CC(=O)N1CCO[C@H](C(=O)N[C@H]2CC[N@H+](CC(N)=O)C2)C1 ZINC001016145736 657198131 /nfs/dbraw/zinc/19/81/31/657198131.db2.gz SMSYQRXIVQTLBD-QWRGUYRKSA-N 1 2 298.343 -2.091 20 0 CAADLO CC(=O)N1CCO[C@H](C(=O)N[C@H]2CC[N@@H+](CC(N)=O)C2)C1 ZINC001016145736 657198137 /nfs/dbraw/zinc/19/81/37/657198137.db2.gz SMSYQRXIVQTLBD-QWRGUYRKSA-N 1 2 298.343 -2.091 20 0 CAADLO Cc1ccc(=O)n(CC(=O)N[C@@H]2CC[N@H+](CC(N)=O)C2)n1 ZINC001016057366 657198275 /nfs/dbraw/zinc/19/82/75/657198275.db2.gz KRPWHJKEEJAMHI-SNVBAGLBSA-N 1 2 293.327 -1.772 20 0 CAADLO Cc1ccc(=O)n(CC(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C2)n1 ZINC001016057366 657198278 /nfs/dbraw/zinc/19/82/78/657198278.db2.gz KRPWHJKEEJAMHI-SNVBAGLBSA-N 1 2 293.327 -1.772 20 0 CAADLO CN1C(=O)CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001016143054 657198298 /nfs/dbraw/zinc/19/82/98/657198298.db2.gz ZSZHZODVXKHOFM-UWVGGRQHSA-N 1 2 282.344 -1.327 20 0 CAADLO CN1C(=O)CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001016143054 657198302 /nfs/dbraw/zinc/19/83/02/657198302.db2.gz ZSZHZODVXKHOFM-UWVGGRQHSA-N 1 2 282.344 -1.327 20 0 CAADLO O=C(C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCC(=O)N2)C1)NC1CC1 ZINC001016032361 657198327 /nfs/dbraw/zinc/19/83/27/657198327.db2.gz YJBGQEYJGYLQPA-MNOVXSKESA-N 1 2 294.355 -1.266 20 0 CAADLO O=C(C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCC(=O)N2)C1)NC1CC1 ZINC001016032361 657198334 /nfs/dbraw/zinc/19/83/34/657198334.db2.gz YJBGQEYJGYLQPA-MNOVXSKESA-N 1 2 294.355 -1.266 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCN2C(C)=O)C1 ZINC001016046413 657198356 /nfs/dbraw/zinc/19/83/56/657198356.db2.gz NIDKXCRAAFAGMF-NEPJUHHUSA-N 1 2 296.371 -1.066 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCN2C(C)=O)C1 ZINC001016046413 657198361 /nfs/dbraw/zinc/19/83/61/657198361.db2.gz NIDKXCRAAFAGMF-NEPJUHHUSA-N 1 2 296.371 -1.066 20 0 CAADLO CN1C(=O)CCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001016143053 657198417 /nfs/dbraw/zinc/19/84/17/657198417.db2.gz ZSZHZODVXKHOFM-NXEZZACHSA-N 1 2 282.344 -1.327 20 0 CAADLO CN1C(=O)CCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001016143053 657198421 /nfs/dbraw/zinc/19/84/21/657198421.db2.gz ZSZHZODVXKHOFM-NXEZZACHSA-N 1 2 282.344 -1.327 20 0 CAADLO Cc1ccc(=O)n(CC(=O)N[C@H]2CC[N@H+](CC(N)=O)C2)n1 ZINC001016057364 657198821 /nfs/dbraw/zinc/19/88/21/657198821.db2.gz KRPWHJKEEJAMHI-JTQLQIEISA-N 1 2 293.327 -1.772 20 0 CAADLO Cc1ccc(=O)n(CC(=O)N[C@H]2CC[N@@H+](CC(N)=O)C2)n1 ZINC001016057364 657198829 /nfs/dbraw/zinc/19/88/29/657198829.db2.gz KRPWHJKEEJAMHI-JTQLQIEISA-N 1 2 293.327 -1.772 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cnn3cc[nH]c23)C1 ZINC001016103940 657199056 /nfs/dbraw/zinc/19/90/56/657199056.db2.gz MTWUJDJYUUADIT-MRVPVSSYSA-N 1 2 276.300 -1.048 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cnn3cc[nH]c23)C1 ZINC001016103940 657199060 /nfs/dbraw/zinc/19/90/60/657199060.db2.gz MTWUJDJYUUADIT-MRVPVSSYSA-N 1 2 276.300 -1.048 20 0 CAADLO COCCn1cc(C(=O)N[C@H]2CC[N@H+](CC(N)=O)C2)cn1 ZINC001016128758 657199266 /nfs/dbraw/zinc/19/92/66/657199266.db2.gz PMWMOEIYMFFWAJ-NSHDSACASA-N 1 2 295.343 -1.181 20 0 CAADLO COCCn1cc(C(=O)N[C@H]2CC[N@@H+](CC(N)=O)C2)cn1 ZINC001016128758 657199270 /nfs/dbraw/zinc/19/92/70/657199270.db2.gz PMWMOEIYMFFWAJ-NSHDSACASA-N 1 2 295.343 -1.181 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)Cn2cncn2)C1 ZINC001016194169 657200174 /nfs/dbraw/zinc/20/01/74/657200174.db2.gz FXFKUMOILGQQOB-QMMMGPOBSA-N 1 2 252.278 -2.046 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)Cn2cncn2)C1 ZINC001016194169 657200182 /nfs/dbraw/zinc/20/01/82/657200182.db2.gz FXFKUMOILGQQOB-QMMMGPOBSA-N 1 2 252.278 -2.046 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2ccc(=O)n(C)n2)C1 ZINC001016180676 657200262 /nfs/dbraw/zinc/20/02/62/657200262.db2.gz IUQYOECRTWQWPU-VIFPVBQESA-N 1 2 293.327 -1.670 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)c2ccc(=O)n(C)n2)C1 ZINC001016180676 657200274 /nfs/dbraw/zinc/20/02/74/657200274.db2.gz IUQYOECRTWQWPU-VIFPVBQESA-N 1 2 293.327 -1.670 20 0 CAADLO Cn1nc(C(=O)N[C@H]2CC[N@H+](CC(N)=O)C2)ccc1=O ZINC001016180439 657200604 /nfs/dbraw/zinc/20/06/04/657200604.db2.gz HIKKQBZRAXKOQC-QMMMGPOBSA-N 1 2 279.300 -1.930 20 0 CAADLO Cn1nc(C(=O)N[C@H]2CC[N@@H+](CC(N)=O)C2)ccc1=O ZINC001016180439 657200608 /nfs/dbraw/zinc/20/06/08/657200608.db2.gz HIKKQBZRAXKOQC-QMMMGPOBSA-N 1 2 279.300 -1.930 20 0 CAADLO Cn1nncc1C[N@@H+]1CC[C@H](NC(=O)Cn2cncn2)C1 ZINC001016186441 657201834 /nfs/dbraw/zinc/20/18/34/657201834.db2.gz GHMKKHCZSAPUFF-JTQLQIEISA-N 1 2 290.331 -1.203 20 0 CAADLO Cn1nncc1C[N@H+]1CC[C@H](NC(=O)Cn2cncn2)C1 ZINC001016186441 657201836 /nfs/dbraw/zinc/20/18/36/657201836.db2.gz GHMKKHCZSAPUFF-JTQLQIEISA-N 1 2 290.331 -1.203 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2ccn(C)n2)C1 ZINC001016245079 657203072 /nfs/dbraw/zinc/20/30/72/657203072.db2.gz CTRNEGGQKPQUTG-VIFPVBQESA-N 1 2 265.317 -1.030 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)c2ccn(C)n2)C1 ZINC001016245079 657203082 /nfs/dbraw/zinc/20/30/82/657203082.db2.gz CTRNEGGQKPQUTG-VIFPVBQESA-N 1 2 265.317 -1.030 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)Cn2ccccc2=O)C1 ZINC001016217638 657203196 /nfs/dbraw/zinc/20/31/96/657203196.db2.gz SARHWGSPQRZGKF-JTQLQIEISA-N 1 2 278.312 -1.476 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)Cn2ccccc2=O)C1 ZINC001016217638 657203197 /nfs/dbraw/zinc/20/31/97/657203197.db2.gz SARHWGSPQRZGKF-JTQLQIEISA-N 1 2 278.312 -1.476 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ccn(C)n2)C1 ZINC001016245078 657204123 /nfs/dbraw/zinc/20/41/23/657204123.db2.gz CTRNEGGQKPQUTG-SECBINFHSA-N 1 2 265.317 -1.030 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2ccn(C)n2)C1 ZINC001016245078 657204130 /nfs/dbraw/zinc/20/41/30/657204130.db2.gz CTRNEGGQKPQUTG-SECBINFHSA-N 1 2 265.317 -1.030 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)CN2C(=O)CCC2=O)C1 ZINC001016207279 657204227 /nfs/dbraw/zinc/20/42/27/657204227.db2.gz DGCATRHTXMBYGX-VIFPVBQESA-N 1 2 296.327 -1.928 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)CN2C(=O)CCC2=O)C1 ZINC001016207279 657204234 /nfs/dbraw/zinc/20/42/34/657204234.db2.gz DGCATRHTXMBYGX-VIFPVBQESA-N 1 2 296.327 -1.928 20 0 CAADLO CC(=O)N1CCC(C(=O)N[C@@H]2CC[N@H+](CC(N)=O)C2)CC1 ZINC001016216264 657204454 /nfs/dbraw/zinc/20/44/54/657204454.db2.gz MTHPHKLLVUMDSR-GFCCVEGCSA-N 1 2 296.371 -1.079 20 0 CAADLO CC(=O)N1CCC(C(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C2)CC1 ZINC001016216264 657204462 /nfs/dbraw/zinc/20/44/62/657204462.db2.gz MTHPHKLLVUMDSR-GFCCVEGCSA-N 1 2 296.371 -1.079 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)C2CCN(C(N)=O)CC2)C1 ZINC001016218736 657204471 /nfs/dbraw/zinc/20/44/71/657204471.db2.gz XGEDUPRLRPZGAS-JTQLQIEISA-N 1 2 297.359 -1.547 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)C2CCN(C(N)=O)CC2)C1 ZINC001016218736 657204476 /nfs/dbraw/zinc/20/44/76/657204476.db2.gz XGEDUPRLRPZGAS-JTQLQIEISA-N 1 2 297.359 -1.547 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CN2C(=O)CCC2=O)C1 ZINC001016207277 657204685 /nfs/dbraw/zinc/20/46/85/657204685.db2.gz DGCATRHTXMBYGX-SECBINFHSA-N 1 2 296.327 -1.928 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)CN2C(=O)CCC2=O)C1 ZINC001016207277 657204689 /nfs/dbraw/zinc/20/46/89/657204689.db2.gz DGCATRHTXMBYGX-SECBINFHSA-N 1 2 296.327 -1.928 20 0 CAADLO O=C(N[C@H]1CC[N@@H+](CCF)C1)[C@@H]1CCS(=O)(=O)N1 ZINC001016283822 657205382 /nfs/dbraw/zinc/20/53/82/657205382.db2.gz OLWUGEYNLBDKHB-IUCAKERBSA-N 1 2 279.337 -1.162 20 0 CAADLO O=C(N[C@H]1CC[N@H+](CCF)C1)[C@@H]1CCS(=O)(=O)N1 ZINC001016283822 657205385 /nfs/dbraw/zinc/20/53/85/657205385.db2.gz OLWUGEYNLBDKHB-IUCAKERBSA-N 1 2 279.337 -1.162 20 0 CAADLO CC(=O)N1CCOC[C@H]1C(=O)N[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001016295842 657206234 /nfs/dbraw/zinc/20/62/34/657206234.db2.gz WWWLTWWRURUAJW-MNOVXSKESA-N 1 2 298.343 -2.091 20 0 CAADLO CC(=O)N1CCOC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001016295842 657206242 /nfs/dbraw/zinc/20/62/42/657206242.db2.gz WWWLTWWRURUAJW-MNOVXSKESA-N 1 2 298.343 -2.091 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)c2c[nH]c(C(N)=O)c2)C1 ZINC001016261914 657206274 /nfs/dbraw/zinc/20/62/74/657206274.db2.gz ARKIIZFBEBICQU-CBAPKCEASA-N 1 2 293.327 -1.209 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)c2c[nH]c(C(N)=O)c2)C1 ZINC001016261914 657206279 /nfs/dbraw/zinc/20/62/79/657206279.db2.gz ARKIIZFBEBICQU-CBAPKCEASA-N 1 2 293.327 -1.209 20 0 CAADLO O=C(N[C@@H]1CC[N@@H+](CCF)C1)[C@H]1CCS(=O)(=O)N1 ZINC001016283823 657206724 /nfs/dbraw/zinc/20/67/24/657206724.db2.gz OLWUGEYNLBDKHB-RKDXNWHRSA-N 1 2 279.337 -1.162 20 0 CAADLO O=C(N[C@@H]1CC[N@H+](CCF)C1)[C@H]1CCS(=O)(=O)N1 ZINC001016283823 657206727 /nfs/dbraw/zinc/20/67/27/657206727.db2.gz OLWUGEYNLBDKHB-RKDXNWHRSA-N 1 2 279.337 -1.162 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001016285435 657206732 /nfs/dbraw/zinc/20/67/32/657206732.db2.gz YLYNBGWKAQEPNA-HTQZYQBOSA-N 1 2 290.345 -2.646 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001016285435 657206736 /nfs/dbraw/zinc/20/67/36/657206736.db2.gz YLYNBGWKAQEPNA-HTQZYQBOSA-N 1 2 290.345 -2.646 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001016285436 657207239 /nfs/dbraw/zinc/20/72/39/657207239.db2.gz YLYNBGWKAQEPNA-JGVFFNPUSA-N 1 2 290.345 -2.646 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001016285436 657207247 /nfs/dbraw/zinc/20/72/47/657207247.db2.gz YLYNBGWKAQEPNA-JGVFFNPUSA-N 1 2 290.345 -2.646 20 0 CAADLO Cn1cc(C(=O)N[C@H]2CC[N@H+](CC(N)=O)C2)n(C)c1=O ZINC001016354613 657208382 /nfs/dbraw/zinc/20/83/82/657208382.db2.gz PMQIBLCXHXNCBL-QMMMGPOBSA-N 1 2 281.316 -1.987 20 0 CAADLO Cn1cc(C(=O)N[C@H]2CC[N@@H+](CC(N)=O)C2)n(C)c1=O ZINC001016354613 657208397 /nfs/dbraw/zinc/20/83/97/657208397.db2.gz PMQIBLCXHXNCBL-QMMMGPOBSA-N 1 2 281.316 -1.987 20 0 CAADLO CC(=O)N1CCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001016361002 657209033 /nfs/dbraw/zinc/20/90/33/657209033.db2.gz VPHJIIJQHBXCFD-GHMZBOCLSA-N 1 2 282.344 -1.327 20 0 CAADLO CC(=O)N1CCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001016361002 657209041 /nfs/dbraw/zinc/20/90/41/657209041.db2.gz VPHJIIJQHBXCFD-GHMZBOCLSA-N 1 2 282.344 -1.327 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCc3nncn3C2)C1 ZINC001016332293 657209218 /nfs/dbraw/zinc/20/92/18/657209218.db2.gz QRGOEXLDSIIVOU-VHSXEESVSA-N 1 2 292.343 -1.484 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CCc3nncn3C2)C1 ZINC001016332293 657209223 /nfs/dbraw/zinc/20/92/23/657209223.db2.gz QRGOEXLDSIIVOU-VHSXEESVSA-N 1 2 292.343 -1.484 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)C[C@@H]2CC(=O)NC2=O)C1 ZINC001016432280 657210761 /nfs/dbraw/zinc/21/07/61/657210761.db2.gz VNGCCUULKCGPCK-HTQZYQBOSA-N 1 2 282.300 -2.285 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)C[C@@H]2CC(=O)NC2=O)C1 ZINC001016432280 657210771 /nfs/dbraw/zinc/21/07/71/657210771.db2.gz VNGCCUULKCGPCK-HTQZYQBOSA-N 1 2 282.300 -2.285 20 0 CAADLO NC(=O)C[NH+]1CCC2(C[C@@H]2NC(=O)c2cnn[nH]2)CC1 ZINC001016704342 657212521 /nfs/dbraw/zinc/21/25/21/657212521.db2.gz JVGFLFAEVUMJSE-VIFPVBQESA-N 1 2 278.316 -1.126 20 0 CAADLO NC(=O)C[NH+]1CCC2(C[C@H]2NC(=O)c2cnn[nH]2)CC1 ZINC001016704341 657212791 /nfs/dbraw/zinc/21/27/91/657212791.db2.gz JVGFLFAEVUMJSE-SECBINFHSA-N 1 2 278.316 -1.126 20 0 CAADLO Cc1[nH+]c[nH]c1CC(=O)N(C)C1CC(NC(=O)C(N)=O)C1 ZINC001016815615 657214234 /nfs/dbraw/zinc/21/42/34/657214234.db2.gz GJCSXWCGCPOUPF-UHFFFAOYSA-N 1 2 293.327 -1.148 20 0 CAADLO NC(=O)C[NH+]1CCC2(C[C@@H]2NC(=O)c2ncn[nH]2)CC1 ZINC001016884418 657214669 /nfs/dbraw/zinc/21/46/69/657214669.db2.gz MWFLRMZFDMUSHZ-QMMMGPOBSA-N 1 2 278.316 -1.126 20 0 CAADLO NC(=O)C[NH+]1CCC2(C[C@@H]2NC(=O)c2nc[nH]n2)CC1 ZINC001016884418 657214675 /nfs/dbraw/zinc/21/46/75/657214675.db2.gz MWFLRMZFDMUSHZ-QMMMGPOBSA-N 1 2 278.316 -1.126 20 0 CAADLO CN(C(=O)C(N)=O)C1CC(NC(=O)Cc2c[nH+]cn2C)C1 ZINC001016949505 657216136 /nfs/dbraw/zinc/21/61/36/657216136.db2.gz RTOKEKWHKUMHJC-UHFFFAOYSA-N 1 2 293.327 -1.447 20 0 CAADLO Cn1ncnc1C[N@H+](C)C[C@@H]1CCCN(C(=O)C(N)=O)C1 ZINC001017200870 657217747 /nfs/dbraw/zinc/21/77/47/657217747.db2.gz URIBVYBBNKAIAP-JTQLQIEISA-N 1 2 294.359 -1.029 20 0 CAADLO Cn1ncnc1C[N@@H+](C)C[C@@H]1CCCN(C(=O)C(N)=O)C1 ZINC001017200870 657217759 /nfs/dbraw/zinc/21/77/59/657217759.db2.gz URIBVYBBNKAIAP-JTQLQIEISA-N 1 2 294.359 -1.029 20 0 CAADLO CN(C(=O)Cc1c[nH+]c[nH]1)C1CC(NC(=O)C(N)=O)C1 ZINC001017104392 657218136 /nfs/dbraw/zinc/21/81/36/657218136.db2.gz BFIVMRKOVIYTJI-UHFFFAOYSA-N 1 2 279.300 -1.457 20 0 CAADLO CN1CC[C@@H]([N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)CC(N)=O)C1=O ZINC001017430382 657220496 /nfs/dbraw/zinc/22/04/96/657220496.db2.gz QWVPGHJFXJOPHI-OUAUKWLOSA-N 1 2 294.355 -1.232 20 0 CAADLO CN1CC[C@@H]([N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)CC(N)=O)C1=O ZINC001017430382 657220504 /nfs/dbraw/zinc/22/05/04/657220504.db2.gz QWVPGHJFXJOPHI-OUAUKWLOSA-N 1 2 294.355 -1.232 20 0 CAADLO C[C@H]1CC[C@@H](NC(=O)C(N)=O)CN1C(=O)Cc1[nH]cc[nH+]1 ZINC001018377339 657226670 /nfs/dbraw/zinc/22/66/70/657226670.db2.gz YBRDJLZRTPTKCY-DTWKUNHWSA-N 1 2 293.327 -1.067 20 0 CAADLO C[C@H]1CC[C@H](NC(=O)C(N)=O)CN1C(=O)Cc1[nH]cc[nH+]1 ZINC001018377340 657227496 /nfs/dbraw/zinc/22/74/96/657227496.db2.gz YBRDJLZRTPTKCY-IUCAKERBSA-N 1 2 293.327 -1.067 20 0 CAADLO C[C@H]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)CN1C(=O)C(N)=O ZINC001018368072 657228227 /nfs/dbraw/zinc/22/82/27/657228227.db2.gz PBNMPOYMJGAHAP-IUCAKERBSA-N 1 2 293.327 -1.067 20 0 CAADLO O=C(Cn1cnnn1)N1CC[C@H]([NH2+]Cc2csnn2)C1 ZINC001018480335 657229399 /nfs/dbraw/zinc/22/93/99/657229399.db2.gz UCBHJNAROBCTMJ-QMMMGPOBSA-N 1 2 294.344 -1.085 20 0 CAADLO COCC(=O)N1CC[C@H]([NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001018388498 657229661 /nfs/dbraw/zinc/22/96/61/657229661.db2.gz NMGOCQXXWHMNFO-QMMMGPOBSA-N 1 2 269.305 -1.555 20 0 CAADLO C[C@H]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)CN1C(=O)C(N)=O ZINC001018443509 657229714 /nfs/dbraw/zinc/22/97/14/657229714.db2.gz WRFOUJSFPMBAEI-IUCAKERBSA-N 1 2 293.327 -1.067 20 0 CAADLO C[C@@H]1CC[C@@H](NC(=O)C(N)=O)CN1C(=O)Cn1cc[nH+]c1 ZINC001018380208 657230087 /nfs/dbraw/zinc/23/00/87/657230087.db2.gz QIYSWDDMIMSCAP-NXEZZACHSA-N 1 2 293.327 -1.136 20 0 CAADLO Cn1[nH]c(C[NH2+][C@H]2CCN(C(=O)[C@H]3CCCO3)C2)nc1=O ZINC001018467166 657230380 /nfs/dbraw/zinc/23/03/80/657230380.db2.gz DNWIAUMWCWJMDU-VHSXEESVSA-N 1 2 295.343 -1.022 20 0 CAADLO C[C@H]1CC[C@@H](NC(=O)C(N)=O)CN1C(=O)Cn1cc[nH+]c1 ZINC001018380210 657230687 /nfs/dbraw/zinc/23/06/87/657230687.db2.gz QIYSWDDMIMSCAP-VHSXEESVSA-N 1 2 293.327 -1.136 20 0 CAADLO CO[C@@H](C)C(=O)N1CC[C@H]([NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001018579552 657232081 /nfs/dbraw/zinc/23/20/81/657232081.db2.gz ONYKUPDGESPNIZ-IUCAKERBSA-N 1 2 283.332 -1.166 20 0 CAADLO CC(C)[C@@H](O)C(=O)N1CC[C@H]([NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001018799456 657245005 /nfs/dbraw/zinc/24/50/05/657245005.db2.gz XBXZNJPOPKNCGS-GXSJLCMTSA-N 1 2 297.359 -1.184 20 0 CAADLO NC(=O)C(=O)N1CCC2(CN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC001019155601 657255658 /nfs/dbraw/zinc/25/56/58/657255658.db2.gz RBTULFDKCRDDLC-UHFFFAOYSA-N 1 2 291.311 -1.571 20 0 CAADLO O=C([C@H]1CNC(=O)N1)N1CC[C@H]([NH2+]Cc2csnn2)C1 ZINC001019308629 657258923 /nfs/dbraw/zinc/25/89/23/657258923.db2.gz BJFUZXFKSZKMLY-IONNQARKSA-N 1 2 296.356 -1.090 20 0 CAADLO O=C([C@@H]1CNC(=O)N1)N1CC[C@H]([NH2+]Cc2csnn2)C1 ZINC001019308628 657260077 /nfs/dbraw/zinc/26/00/77/657260077.db2.gz BJFUZXFKSZKMLY-CBAPKCEASA-N 1 2 296.356 -1.090 20 0 CAADLO O=C([C@@H]1CNC(=O)N1)N1CC[C@H]([NH2+]Cc2nncs2)C1 ZINC001019308907 657261202 /nfs/dbraw/zinc/26/12/02/657261202.db2.gz KOTXZYVSAMQNRI-YUMQZZPRSA-N 1 2 296.356 -1.090 20 0 CAADLO O=C([C@@H]1CNC(=O)N1)N1CC[C@H]([NH2+]Cc2cnsn2)C1 ZINC001019309236 657261660 /nfs/dbraw/zinc/26/16/60/657261660.db2.gz TYFBRFWRKOWPQS-CBAPKCEASA-N 1 2 296.356 -1.090 20 0 CAADLO O=C([C@H]1CNC(=O)N1)N1CC[C@H]([NH2+]Cc2nncs2)C1 ZINC001019308906 657262036 /nfs/dbraw/zinc/26/20/36/657262036.db2.gz KOTXZYVSAMQNRI-JGVFFNPUSA-N 1 2 296.356 -1.090 20 0 CAADLO CCCn1ncnc1C[NH2+][C@H]1CCN(C(=O)C(N)=O)C1 ZINC001019313294 657262063 /nfs/dbraw/zinc/26/20/63/657262063.db2.gz NJKFIKXJPJQFSD-VIFPVBQESA-N 1 2 280.332 -1.136 20 0 CAADLO CCCn1nnnc1C[NH2+][C@H]1CCN(C(=O)C(N)=O)C1 ZINC001019315716 657263476 /nfs/dbraw/zinc/26/34/76/657263476.db2.gz OUAHMDOALWZFCN-QMMMGPOBSA-N 1 2 281.320 -1.741 20 0 CAADLO NC(=O)C(=O)N1CC2(C1)CCN(C(=O)Cc1c[nH+]c[nH]1)C2 ZINC001019357833 657265256 /nfs/dbraw/zinc/26/52/56/657265256.db2.gz MMGHVFWGBVQFCL-UHFFFAOYSA-N 1 2 291.311 -1.502 20 0 CAADLO NC(=O)C(=O)N1CC2(C1)CCN(C(=O)Cn1cc[nH+]c1)C2 ZINC001019358661 657265357 /nfs/dbraw/zinc/26/53/57/657265357.db2.gz CVWDJZVYRRLWDS-UHFFFAOYSA-N 1 2 291.311 -1.571 20 0 CAADLO C[C@H]([NH2+][C@H]1CCN(C(=O)Cc2ncn[nH]2)C1)C(N)=O ZINC001019629445 657274538 /nfs/dbraw/zinc/27/45/38/657274538.db2.gz MOBPKMHJAVQQJE-YUMQZZPRSA-N 1 2 266.305 -1.589 20 0 CAADLO NC(=O)C[NH2+][C@H]1CCN(C(=O)Cc2ncn[nH]2)C1 ZINC001019629484 657275332 /nfs/dbraw/zinc/27/53/32/657275332.db2.gz NCMZTZFOARTXIL-ZETCQYMHSA-N 1 2 252.278 -1.977 20 0 CAADLO O=C(C[NH2+][C@H]1CCN(C(=O)Cc2ncn[nH]2)C1)N1CCC1 ZINC001019628781 657276551 /nfs/dbraw/zinc/27/65/51/657276551.db2.gz RFCINRSAVXEVID-JTQLQIEISA-N 1 2 292.343 -1.230 20 0 CAADLO O=C(Cc1ncn[nH]1)N1CC[C@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001019629884 657276570 /nfs/dbraw/zinc/27/65/70/657276570.db2.gz SMVRWFREAUREFU-IUCAKERBSA-N 1 2 278.316 -1.574 20 0 CAADLO Cn1cc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3nnn(C)n3)C2)cn1 ZINC001019980179 657284333 /nfs/dbraw/zinc/28/43/33/657284333.db2.gz HQQKGPUHOLFAOL-MGCOHNPYSA-N 1 2 290.331 -1.006 20 0 CAADLO Cn1nnc(C[NH2+][C@H]2C[C@H](NC(=O)c3cnnn3C)C2)n1 ZINC001020118459 657288770 /nfs/dbraw/zinc/28/87/70/657288770.db2.gz RQDBCSARFARUJG-ZKCHVHJHSA-N 1 2 291.319 -1.611 20 0 CAADLO Cn1nnc(C[NH2+][C@H]2C[C@H](NC(=O)Cn3nccn3)C2)n1 ZINC001020199021 657291409 /nfs/dbraw/zinc/29/14/09/657291409.db2.gz BHJFFVGHXGBABJ-KYZUINATSA-N 1 2 291.319 -1.761 20 0 CAADLO Cn1cc(C[NH2+][C@H]2C[C@H](NC(=O)c3cnn[nH]3)C2)nn1 ZINC001020342952 657293845 /nfs/dbraw/zinc/29/38/45/657293845.db2.gz CFAWZTLTIPYGTB-ZKCHVHJHSA-N 1 2 276.304 -1.016 20 0 CAADLO Cn1cncc1C(=O)N[C@@H]1C[C@@H]([NH2+]Cc2nnn(C)n2)C1 ZINC001020358226 657294374 /nfs/dbraw/zinc/29/43/74/657294374.db2.gz KYEMXAIHWMMJBI-KYZUINATSA-N 1 2 290.331 -1.006 20 0 CAADLO C[C@@H]1OCCO[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(N)=O ZINC001095560071 782190646 /nfs/dbraw/zinc/19/06/46/782190646.db2.gz MEMDCKHMFAGRKA-FBUUZDRASA-N 1 2 297.355 -1.003 20 0 CAADLO C[C@@H]1OCCO[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(N)=O ZINC001095560071 782190654 /nfs/dbraw/zinc/19/06/54/782190654.db2.gz MEMDCKHMFAGRKA-FBUUZDRASA-N 1 2 297.355 -1.003 20 0 CAADLO NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC(=O)NC1)C2 ZINC001095664564 782191003 /nfs/dbraw/zinc/19/10/03/782191003.db2.gz DQPXNJSEYRQXMB-VLEAKVRGSA-N 1 2 294.355 -1.281 20 0 CAADLO NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC(=O)NC1)C2 ZINC001095664564 782191008 /nfs/dbraw/zinc/19/10/08/782191008.db2.gz DQPXNJSEYRQXMB-VLEAKVRGSA-N 1 2 294.355 -1.281 20 0 CAADLO NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCC(=O)N1)C2 ZINC001095584127 782191259 /nfs/dbraw/zinc/19/12/59/782191259.db2.gz FGPUFORMTOUTAF-ZNSHCXBVSA-N 1 2 294.355 -1.138 20 0 CAADLO NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCC(=O)N1)C2 ZINC001095584127 782191264 /nfs/dbraw/zinc/19/12/64/782191264.db2.gz FGPUFORMTOUTAF-ZNSHCXBVSA-N 1 2 294.355 -1.138 20 0 CAADLO CC(C)[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)NC(=O)C(N)=O ZINC001298022428 782191526 /nfs/dbraw/zinc/19/15/26/782191526.db2.gz VZBAVLQPUKIKGJ-SECBINFHSA-N 1 2 281.316 -1.306 20 0 CAADLO COC[C@H](OC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(N)=O ZINC001111000513 782193185 /nfs/dbraw/zinc/19/31/85/782193185.db2.gz LOSZSOVUJZQCAO-ZNSHCXBVSA-N 1 2 285.344 -1.145 20 0 CAADLO COC[C@H](OC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(N)=O ZINC001111000513 782193191 /nfs/dbraw/zinc/19/31/91/782193191.db2.gz LOSZSOVUJZQCAO-ZNSHCXBVSA-N 1 2 285.344 -1.145 20 0 CAADLO CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(N)=O)C2 ZINC001110962918 782193235 /nfs/dbraw/zinc/19/32/35/782193235.db2.gz FVHCPRCHAHQYBB-HLTSFMKQSA-N 1 2 268.317 -1.671 20 0 CAADLO CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(N)=O)C2 ZINC001110962918 782193241 /nfs/dbraw/zinc/19/32/41/782193241.db2.gz FVHCPRCHAHQYBB-HLTSFMKQSA-N 1 2 268.317 -1.671 20 0 CAADLO C[C@H](C(=O)NC(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(N)=O)C2 ZINC001110965803 782193382 /nfs/dbraw/zinc/19/33/82/782193382.db2.gz JCLLQZMGHJALNU-XUTVFYLZSA-N 1 2 297.315 -2.223 20 0 CAADLO C[C@H](C(=O)NC(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(N)=O)C2 ZINC001110965803 782193389 /nfs/dbraw/zinc/19/33/89/782193389.db2.gz JCLLQZMGHJALNU-XUTVFYLZSA-N 1 2 297.315 -2.223 20 0 CAADLO CN(C)C(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(N)=O ZINC001111114068 782195374 /nfs/dbraw/zinc/19/53/74/782195374.db2.gz FSPUAEGRJTYSDJ-BBBLOLIVSA-N 1 2 282.344 -1.329 20 0 CAADLO CN(C)C(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(N)=O ZINC001111114068 782195380 /nfs/dbraw/zinc/19/53/80/782195380.db2.gz FSPUAEGRJTYSDJ-BBBLOLIVSA-N 1 2 282.344 -1.329 20 0 CAADLO CN1N=C(C(=O)N2CC[N@H+](C)[C@@H](CO)C2)CCC1=O ZINC000687595216 782197352 /nfs/dbraw/zinc/19/73/52/782197352.db2.gz VEGOMSZXOFEXDN-SECBINFHSA-N 1 2 268.317 -1.271 20 0 CAADLO CN1N=C(C(=O)N2CC[N@@H+](C)[C@@H](CO)C2)CCC1=O ZINC000687595216 782197357 /nfs/dbraw/zinc/19/73/57/782197357.db2.gz VEGOMSZXOFEXDN-SECBINFHSA-N 1 2 268.317 -1.271 20 0 CAADLO CNC(=O)C1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(N)=O)CC1 ZINC001111144132 782196844 /nfs/dbraw/zinc/19/68/44/782196844.db2.gz QBILEIFVIHGQSW-BBBLOLIVSA-N 1 2 294.355 -1.281 20 0 CAADLO CNC(=O)C1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(N)=O)CC1 ZINC001111144132 782196849 /nfs/dbraw/zinc/19/68/49/782196849.db2.gz QBILEIFVIHGQSW-BBBLOLIVSA-N 1 2 294.355 -1.281 20 0 CAADLO C[N@@H+]1CCN(C(=O)c2nccnc2N)C[C@H]1CO ZINC000687620507 782198438 /nfs/dbraw/zinc/19/84/38/782198438.db2.gz VOSCLKZQBPCMBI-QMMMGPOBSA-N 1 2 251.290 -1.193 20 0 CAADLO C[N@H+]1CCN(C(=O)c2nccnc2N)C[C@H]1CO ZINC000687620507 782198445 /nfs/dbraw/zinc/19/84/45/782198445.db2.gz VOSCLKZQBPCMBI-QMMMGPOBSA-N 1 2 251.290 -1.193 20 0 CAADLO CN1C[C@H](C(=O)N2CC[N@H+](C)[C@H](CO)C2)CC1=O ZINC000687600409 782198135 /nfs/dbraw/zinc/19/81/35/782198135.db2.gz VKXQEVMZVXLLED-ZJUUUORDSA-N 1 2 255.318 -1.400 20 0 CAADLO CN1C[C@H](C(=O)N2CC[N@@H+](C)[C@H](CO)C2)CC1=O ZINC000687600409 782198140 /nfs/dbraw/zinc/19/81/40/782198140.db2.gz VKXQEVMZVXLLED-ZJUUUORDSA-N 1 2 255.318 -1.400 20 0 CAADLO C[C@@]1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(N)=O)CNC(=O)C1 ZINC001095806352 782200152 /nfs/dbraw/zinc/20/01/52/782200152.db2.gz BHUGJDYBMZPPSA-YCWTYVPXSA-N 1 2 294.355 -1.281 20 0 CAADLO C[C@@]1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(N)=O)CNC(=O)C1 ZINC001095806352 782200157 /nfs/dbraw/zinc/20/01/57/782200157.db2.gz BHUGJDYBMZPPSA-YCWTYVPXSA-N 1 2 294.355 -1.281 20 0 CAADLO Cc1nc(N2CCC[C@](CO)(NC(=O)C(N)=O)C2)cc[nH+]1 ZINC001111363878 782200952 /nfs/dbraw/zinc/20/09/52/782200952.db2.gz HTHUHHDDYAPPIJ-ZDUSSCGKSA-N 1 2 293.327 -1.282 20 0 CAADLO CN1C[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(N)=O)NC1=O ZINC001095872575 782202154 /nfs/dbraw/zinc/20/21/54/782202154.db2.gz PANPUNXBUXIBQY-RGOKHQFPSA-N 1 2 295.343 -1.783 20 0 CAADLO CN1C[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(N)=O)NC1=O ZINC001095872575 782202156 /nfs/dbraw/zinc/20/21/56/782202156.db2.gz PANPUNXBUXIBQY-RGOKHQFPSA-N 1 2 295.343 -1.783 20 0 CAADLO NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCNC1=O)C2 ZINC001095868581 782201886 /nfs/dbraw/zinc/20/18/86/782201886.db2.gz UKZJFDVJPFGVJK-KATARQTJSA-N 1 2 280.328 -1.671 20 0 CAADLO NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCNC1=O)C2 ZINC001095868581 782201891 /nfs/dbraw/zinc/20/18/91/782201891.db2.gz UKZJFDVJPFGVJK-KATARQTJSA-N 1 2 280.328 -1.671 20 0 CAADLO CN1C[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(N)=O)NC1=O ZINC001095872574 782202877 /nfs/dbraw/zinc/20/28/77/782202877.db2.gz PANPUNXBUXIBQY-KATARQTJSA-N 1 2 295.343 -1.783 20 0 CAADLO CN1C[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(N)=O)NC1=O ZINC001095872574 782202882 /nfs/dbraw/zinc/20/28/82/782202882.db2.gz PANPUNXBUXIBQY-KATARQTJSA-N 1 2 295.343 -1.783 20 0 CAADLO CN1CC[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(N)=O)C1=O ZINC001095888413 782209827 /nfs/dbraw/zinc/20/98/27/782209827.db2.gz COTKTZZNDNOIGJ-RCWTZXSCSA-N 1 2 294.355 -1.329 20 0 CAADLO CN1CC[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(N)=O)C1=O ZINC001095888413 782209833 /nfs/dbraw/zinc/20/98/33/782209833.db2.gz COTKTZZNDNOIGJ-RCWTZXSCSA-N 1 2 294.355 -1.329 20 0 CAADLO CN(CCC[NH2+]Cc1nnn(C)n1)C(=O)Cc1nnc[nH]1 ZINC001276323705 782214986 /nfs/dbraw/zinc/21/49/86/782214986.db2.gz DQOZKVQFGRHGRN-UHFFFAOYSA-N 1 2 293.335 -1.491 20 0 CAADLO CN1CCC12C[NH+](Cc1cn(C)c(=O)n(C)c1=O)C2 ZINC001276321281 782215054 /nfs/dbraw/zinc/21/50/54/782215054.db2.gz DBLJZSQZDLQAIG-UHFFFAOYSA-N 1 2 264.329 -1.026 20 0 CAADLO CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1cn[nH]n1 ZINC001114859987 782217560 /nfs/dbraw/zinc/21/75/60/782217560.db2.gz WUVVAXBBUHTKML-IWIIMEHWSA-N 1 2 292.343 -1.470 20 0 CAADLO CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1cn[nH]n1 ZINC001114859987 782217566 /nfs/dbraw/zinc/21/75/66/782217566.db2.gz WUVVAXBBUHTKML-IWIIMEHWSA-N 1 2 292.343 -1.470 20 0 CAADLO CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1c[nH]nn1 ZINC001114859987 782217572 /nfs/dbraw/zinc/21/75/72/782217572.db2.gz WUVVAXBBUHTKML-IWIIMEHWSA-N 1 2 292.343 -1.470 20 0 CAADLO CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1c[nH]nn1 ZINC001114859987 782217581 /nfs/dbraw/zinc/21/75/81/782217581.db2.gz WUVVAXBBUHTKML-IWIIMEHWSA-N 1 2 292.343 -1.470 20 0 CAADLO CC(=O)NC[C@H]1CC[N@@H+]1CC(=O)N1CCC(C(N)=O)CC1 ZINC001037982574 782225098 /nfs/dbraw/zinc/22/50/98/782225098.db2.gz ZRQKZBINRZRCKU-GFCCVEGCSA-N 1 2 296.371 -1.079 20 0 CAADLO CC(=O)NC[C@H]1CC[N@H+]1CC(=O)N1CCC(C(N)=O)CC1 ZINC001037982574 782225106 /nfs/dbraw/zinc/22/51/06/782225106.db2.gz ZRQKZBINRZRCKU-GFCCVEGCSA-N 1 2 296.371 -1.079 20 0 CAADLO CC(=O)NC[C@@H]1CC[N@@H+]1CC(=O)N1CCC[C@@H](C(N)=O)C1 ZINC001037994152 782225206 /nfs/dbraw/zinc/22/52/06/782225206.db2.gz VCHHHVRUVREFTJ-NEPJUHHUSA-N 1 2 296.371 -1.079 20 0 CAADLO CC(=O)NC[C@@H]1CC[N@H+]1CC(=O)N1CCC[C@@H](C(N)=O)C1 ZINC001037994152 782225215 /nfs/dbraw/zinc/22/52/15/782225215.db2.gz VCHHHVRUVREFTJ-NEPJUHHUSA-N 1 2 296.371 -1.079 20 0 CAADLO CC(=O)NC[C@H]1CC[N@@H+]1CC(=O)N1CCN(C(C)=O)CC1 ZINC001037994571 782225616 /nfs/dbraw/zinc/22/56/16/782225616.db2.gz YNDSRXICIFFDGE-CYBMUJFWSA-N 1 2 296.371 -1.113 20 0 CAADLO CC(=O)NC[C@H]1CC[N@H+]1CC(=O)N1CCN(C(C)=O)CC1 ZINC001037994571 782225628 /nfs/dbraw/zinc/22/56/28/782225628.db2.gz YNDSRXICIFFDGE-CYBMUJFWSA-N 1 2 296.371 -1.113 20 0 CAADLO CC(=O)NC[C@H]1CC[N@@H+]1CC(=O)N1CCC[C@@H](C(N)=O)C1 ZINC001037994155 782225896 /nfs/dbraw/zinc/22/58/96/782225896.db2.gz VCHHHVRUVREFTJ-VXGBXAGGSA-N 1 2 296.371 -1.079 20 0 CAADLO CC(=O)NC[C@H]1CC[N@H+]1CC(=O)N1CCC[C@@H](C(N)=O)C1 ZINC001037994155 782225905 /nfs/dbraw/zinc/22/59/05/782225905.db2.gz VCHHHVRUVREFTJ-VXGBXAGGSA-N 1 2 296.371 -1.079 20 0 CAADLO CC(=O)NC[C@@H]1CC[N@@H+]1CC(=O)N1CCC[C@H](C(N)=O)C1 ZINC001037994154 782226097 /nfs/dbraw/zinc/22/60/97/782226097.db2.gz VCHHHVRUVREFTJ-RYUDHWBXSA-N 1 2 296.371 -1.079 20 0 CAADLO CC(=O)NC[C@@H]1CC[N@H+]1CC(=O)N1CCC[C@H](C(N)=O)C1 ZINC001037994154 782226102 /nfs/dbraw/zinc/22/61/02/782226102.db2.gz VCHHHVRUVREFTJ-RYUDHWBXSA-N 1 2 296.371 -1.079 20 0 CAADLO CC(=O)NCC1(O)CN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001041047693 782226973 /nfs/dbraw/zinc/22/69/73/782226973.db2.gz SCGLDQRQWNNWCG-UHFFFAOYSA-N 1 2 252.274 -1.338 20 0 CAADLO CC(=O)NCC1(O)CN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001041048080 782227349 /nfs/dbraw/zinc/22/73/49/782227349.db2.gz XVOQHFXAYHKEAE-UHFFFAOYSA-N 1 2 266.301 -1.328 20 0 CAADLO CN(C)C(=O)C[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CCN(C)C1=O ZINC001038624273 782233235 /nfs/dbraw/zinc/23/32/35/782233235.db2.gz WRKZSQVHZWWOCS-GHMZBOCLSA-N 1 2 296.371 -1.257 20 0 CAADLO CN(C)C(=O)C[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CCN(C)C1=O ZINC001038624273 782233240 /nfs/dbraw/zinc/23/32/40/782233240.db2.gz WRKZSQVHZWWOCS-GHMZBOCLSA-N 1 2 296.371 -1.257 20 0 CAADLO CC[N@@H+]1CCNC(=O)CCN(C(=O)C(N)=O)CC1 ZINC001070993521 782233304 /nfs/dbraw/zinc/23/33/04/782233304.db2.gz DKPQBZJQOLLMPN-UHFFFAOYSA-N 1 2 256.306 -1.858 20 0 CAADLO CC[N@H+]1CCNC(=O)CCN(C(=O)C(N)=O)CC1 ZINC001070993521 782233317 /nfs/dbraw/zinc/23/33/17/782233317.db2.gz DKPQBZJQOLLMPN-UHFFFAOYSA-N 1 2 256.306 -1.858 20 0 CAADLO O=C(Cn1cc[nH+]c1)N1CC(O)(CNC(=O)C2CC2)C1 ZINC001041096596 782239544 /nfs/dbraw/zinc/23/95/44/782239544.db2.gz LRFYWAWSCDRABK-UHFFFAOYSA-N 1 2 278.312 -1.017 20 0 CAADLO CN(C)C(=O)C[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCNC(=O)C1 ZINC001038157502 782241709 /nfs/dbraw/zinc/24/17/09/782241709.db2.gz KNYYXXFHVZIGLH-GHMZBOCLSA-N 1 2 296.371 -1.209 20 0 CAADLO CN(C)C(=O)C[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCNC(=O)C1 ZINC001038157502 782241715 /nfs/dbraw/zinc/24/17/15/782241715.db2.gz KNYYXXFHVZIGLH-GHMZBOCLSA-N 1 2 296.371 -1.209 20 0 CAADLO CC(=O)N1CC(C(=O)NC[C@H]2CC[N@@H+]2[C@@H]2CCNC2=O)C1 ZINC001038202325 782242543 /nfs/dbraw/zinc/24/25/43/782242543.db2.gz WQTFDWHQCNCKJE-VXGBXAGGSA-N 1 2 294.355 -1.456 20 0 CAADLO CC(=O)N1CC(C(=O)NC[C@H]2CC[N@H+]2[C@@H]2CCNC2=O)C1 ZINC001038202325 782242548 /nfs/dbraw/zinc/24/25/48/782242548.db2.gz WQTFDWHQCNCKJE-VXGBXAGGSA-N 1 2 294.355 -1.456 20 0 CAADLO Cn1nncc1C(=O)NC[C@@H]1CC[N@@H+]1[C@H]1CCCNC1=O ZINC001038214724 782242691 /nfs/dbraw/zinc/24/26/91/782242691.db2.gz NULAANSFXPNCMR-UWVGGRQHSA-N 1 2 292.343 -1.102 20 0 CAADLO Cn1nncc1C(=O)NC[C@@H]1CC[N@H+]1[C@H]1CCCNC1=O ZINC001038214724 782242696 /nfs/dbraw/zinc/24/26/96/782242696.db2.gz NULAANSFXPNCMR-UWVGGRQHSA-N 1 2 292.343 -1.102 20 0 CAADLO Cn1cc(C(=O)NC[C@H]2CC[N@@H+]2CCn2cncn2)nn1 ZINC001038235815 782244082 /nfs/dbraw/zinc/24/40/82/782244082.db2.gz QFGNKEQDRVZRDO-SNVBAGLBSA-N 1 2 290.331 -1.089 20 0 CAADLO Cn1cc(C(=O)NC[C@H]2CC[N@H+]2CCn2cncn2)nn1 ZINC001038235815 782244091 /nfs/dbraw/zinc/24/40/91/782244091.db2.gz QFGNKEQDRVZRDO-SNVBAGLBSA-N 1 2 290.331 -1.089 20 0 CAADLO O=C(NC[C@H]1CC[N@@H+]1[C@H]1CCNC1=O)c1cnc[nH]c1=O ZINC001038383420 782246478 /nfs/dbraw/zinc/24/64/78/782246478.db2.gz BWUFQWIJRZMDEJ-SCZZXKLOSA-N 1 2 291.311 -1.125 20 0 CAADLO O=C(NC[C@H]1CC[N@H+]1[C@H]1CCNC1=O)c1cnc[nH]c1=O ZINC001038383420 782246482 /nfs/dbraw/zinc/24/64/82/782246482.db2.gz BWUFQWIJRZMDEJ-SCZZXKLOSA-N 1 2 291.311 -1.125 20 0 CAADLO CN(C)C(=O)C[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CCNC1=O ZINC001038597837 782251253 /nfs/dbraw/zinc/25/12/53/782251253.db2.gz ZVLBOCZFKIMMDM-UWVGGRQHSA-N 1 2 282.344 -1.599 20 0 CAADLO CN(C)C(=O)C[N@H+]1CC[C@H]1CNC(=O)[C@H]1CCNC1=O ZINC001038597837 782251258 /nfs/dbraw/zinc/25/12/58/782251258.db2.gz ZVLBOCZFKIMMDM-UWVGGRQHSA-N 1 2 282.344 -1.599 20 0 CAADLO CN(C)C(=O)C[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CNC(=O)N1 ZINC001038653477 782254109 /nfs/dbraw/zinc/25/41/09/782254109.db2.gz XULMEJRSXMCXGH-DTWKUNHWSA-N 1 2 283.332 -2.054 20 0 CAADLO CN(C)C(=O)C[N@H+]1CC[C@H]1CNC(=O)[C@H]1CNC(=O)N1 ZINC001038653477 782254118 /nfs/dbraw/zinc/25/41/18/782254118.db2.gz XULMEJRSXMCXGH-DTWKUNHWSA-N 1 2 283.332 -2.054 20 0 CAADLO Cn1cc(C(=O)NC[C@@H]2CC[N@@H+]2[C@H]2CCNC2=O)[nH]c1=O ZINC001038656769 782254164 /nfs/dbraw/zinc/25/41/64/782254164.db2.gz GAVWQTJHGIRYBV-WPRPVWTQSA-N 1 2 293.327 -1.182 20 0 CAADLO Cn1cc(C(=O)NC[C@@H]2CC[N@H+]2[C@H]2CCNC2=O)[nH]c1=O ZINC001038656769 782254172 /nfs/dbraw/zinc/25/41/72/782254172.db2.gz GAVWQTJHGIRYBV-WPRPVWTQSA-N 1 2 293.327 -1.182 20 0 CAADLO CC[C@@H](C(N)=O)[N@@H+]1CC[C@@H]1CNC(=O)c1c[nH]c(=O)cn1 ZINC001038652124 782254300 /nfs/dbraw/zinc/25/43/00/782254300.db2.gz RKEOXLWILDQZSJ-SCZZXKLOSA-N 1 2 293.327 -1.162 20 0 CAADLO CC[C@@H](C(N)=O)[N@H+]1CC[C@@H]1CNC(=O)c1c[nH]c(=O)cn1 ZINC001038652124 782254311 /nfs/dbraw/zinc/25/43/11/782254311.db2.gz RKEOXLWILDQZSJ-SCZZXKLOSA-N 1 2 293.327 -1.162 20 0 CAADLO Cn1cc(C[N@@H+]2CC[C@H]2CNC(=O)[C@H]2CNC(=O)N2)cn1 ZINC001038655056 782254871 /nfs/dbraw/zinc/25/48/71/782254871.db2.gz SRSRCELOPAICNO-WDEREUQCSA-N 1 2 292.343 -1.208 20 0 CAADLO Cn1cc(C[N@H+]2CC[C@H]2CNC(=O)[C@H]2CNC(=O)N2)cn1 ZINC001038655056 782254881 /nfs/dbraw/zinc/25/48/81/782254881.db2.gz SRSRCELOPAICNO-WDEREUQCSA-N 1 2 292.343 -1.208 20 0 CAADLO CN(C)C(=O)C[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CCC(=O)N1C ZINC001038622040 782252894 /nfs/dbraw/zinc/25/28/94/782252894.db2.gz MACOELICTLVRPB-WDEREUQCSA-N 1 2 296.371 -1.114 20 0 CAADLO CN(C)C(=O)C[N@H+]1CC[C@H]1CNC(=O)[C@H]1CCC(=O)N1C ZINC001038622040 782252903 /nfs/dbraw/zinc/25/29/03/782252903.db2.gz MACOELICTLVRPB-WDEREUQCSA-N 1 2 296.371 -1.114 20 0 CAADLO Cn1c[nH+]cc1CN1CC[C@H]1CNC(=O)[C@@H]1CNC(=O)N1 ZINC001038652102 782255051 /nfs/dbraw/zinc/25/50/51/782255051.db2.gz SCDQUYXAFJSFRL-ONGXEEELSA-N 1 2 292.343 -1.208 20 0 CAADLO CN(C)C(=O)C[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CNC(=O)N1 ZINC001038653481 782253642 /nfs/dbraw/zinc/25/36/42/782253642.db2.gz XULMEJRSXMCXGH-RKDXNWHRSA-N 1 2 283.332 -2.054 20 0 CAADLO CN(C)C(=O)C[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CNC(=O)N1 ZINC001038653481 782253648 /nfs/dbraw/zinc/25/36/48/782253648.db2.gz XULMEJRSXMCXGH-RKDXNWHRSA-N 1 2 283.332 -2.054 20 0 CAADLO O=C(NC[C@@H]1CC[N@@H+]1CCN1CCNC1=O)c1cnon1 ZINC001038849751 782260183 /nfs/dbraw/zinc/26/01/83/782260183.db2.gz MANUIHQLWWMESF-VIFPVBQESA-N 1 2 294.315 -1.101 20 0 CAADLO O=C(NC[C@@H]1CC[N@H+]1CCN1CCNC1=O)c1cnon1 ZINC001038849751 782260191 /nfs/dbraw/zinc/26/01/91/782260191.db2.gz MANUIHQLWWMESF-VIFPVBQESA-N 1 2 294.315 -1.101 20 0 CAADLO NC(=O)[C@@H]1C[C@@H]1C(=O)NC[C@H]1CC[N@@H+]1CC(=O)N1CCC1 ZINC001038704083 782256399 /nfs/dbraw/zinc/25/63/99/782256399.db2.gz PHLDCIUBZQMXFC-MXWKQRLJSA-N 1 2 294.355 -1.469 20 0 CAADLO NC(=O)[C@@H]1C[C@@H]1C(=O)NC[C@H]1CC[N@H+]1CC(=O)N1CCC1 ZINC001038704083 782256410 /nfs/dbraw/zinc/25/64/10/782256410.db2.gz PHLDCIUBZQMXFC-MXWKQRLJSA-N 1 2 294.355 -1.469 20 0 CAADLO O=C(NC[C@@H]1CC[N@H+]1CCO)c1cc(=O)n2[nH]cnc2n1 ZINC001038924323 782263124 /nfs/dbraw/zinc/26/31/24/782263124.db2.gz ZJSNMQJHKITAJV-QMMMGPOBSA-N 1 2 292.299 -1.786 20 0 CAADLO O=C(NC[C@@H]1CC[N@@H+]1CCO)c1cc(=O)n2[nH]cnc2n1 ZINC001038924323 782263131 /nfs/dbraw/zinc/26/31/31/782263131.db2.gz ZJSNMQJHKITAJV-QMMMGPOBSA-N 1 2 292.299 -1.786 20 0 CAADLO CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CCN2CCO)C1 ZINC001039041349 782267976 /nfs/dbraw/zinc/26/79/76/782267976.db2.gz XXFFMUPAHWSIMT-VXGBXAGGSA-N 1 2 271.361 -1.110 20 0 CAADLO CC[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CCN2CCO)C1 ZINC001039041349 782267986 /nfs/dbraw/zinc/26/79/86/782267986.db2.gz XXFFMUPAHWSIMT-VXGBXAGGSA-N 1 2 271.361 -1.110 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cn1cnnn1 ZINC001039329219 782268278 /nfs/dbraw/zinc/26/82/78/782268278.db2.gz BQMBYBTVEWDVPE-ZJUUUORDSA-N 1 2 293.331 -1.776 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cn1cnnn1 ZINC001039329219 782268285 /nfs/dbraw/zinc/26/82/85/782268285.db2.gz BQMBYBTVEWDVPE-ZJUUUORDSA-N 1 2 293.331 -1.776 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1COCCO1 ZINC001039352641 782268564 /nfs/dbraw/zinc/26/85/64/782268564.db2.gz WAUINCIELQCUHY-GRYCIOLGSA-N 1 2 297.355 -1.048 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1COCCO1 ZINC001039352641 782268574 /nfs/dbraw/zinc/26/85/74/782268574.db2.gz WAUINCIELQCUHY-GRYCIOLGSA-N 1 2 297.355 -1.048 20 0 CAADLO CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2CCN2CCO)C1 ZINC001039041348 782266835 /nfs/dbraw/zinc/26/68/35/782266835.db2.gz XXFFMUPAHWSIMT-RYUDHWBXSA-N 1 2 271.361 -1.110 20 0 CAADLO CC[N@H+]1CCO[C@H](C(=O)NC[C@@H]2CCN2CCO)C1 ZINC001039041348 782266844 /nfs/dbraw/zinc/26/68/44/782266844.db2.gz XXFFMUPAHWSIMT-RYUDHWBXSA-N 1 2 271.361 -1.110 20 0 CAADLO CC[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CCN2CCO)C1 ZINC001039041346 782267728 /nfs/dbraw/zinc/26/77/28/782267728.db2.gz XXFFMUPAHWSIMT-NEPJUHHUSA-N 1 2 271.361 -1.110 20 0 CAADLO CC[N@H+]1CCO[C@H](C(=O)NC[C@H]2CCN2CCO)C1 ZINC001039041346 782267738 /nfs/dbraw/zinc/26/77/38/782267738.db2.gz XXFFMUPAHWSIMT-NEPJUHHUSA-N 1 2 271.361 -1.110 20 0 CAADLO CC(=O)N1CC[C@@](O)(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001040214372 782274500 /nfs/dbraw/zinc/27/45/00/782274500.db2.gz LSTFTLZFOVFOOI-GFCCVEGCSA-N 1 2 266.301 -1.017 20 0 CAADLO NC(=O)C(=O)N1CC[C@@](O)(CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001041037178 782289044 /nfs/dbraw/zinc/28/90/44/782289044.db2.gz VJUOOXQQVBGKPT-GFCCVEGCSA-N 1 2 295.299 -2.483 20 0 CAADLO COCC(=O)N1CC[C@@](O)(CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001040693257 782280413 /nfs/dbraw/zinc/28/04/13/782280413.db2.gz GHCNLONHHIKTJF-CYBMUJFWSA-N 1 2 296.327 -1.322 20 0 CAADLO NC(=O)C(=O)NC[C@]1(O)CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001040748077 782281657 /nfs/dbraw/zinc/28/16/57/782281657.db2.gz XQPLHQIXXLRUDZ-GFCCVEGCSA-N 1 2 295.299 -2.483 20 0 CAADLO COCCC(=O)NCC1(O)CN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001041067939 782292820 /nfs/dbraw/zinc/29/28/20/782292820.db2.gz PXJVXSDDANLUAT-UHFFFAOYSA-N 1 2 296.327 -1.322 20 0 CAADLO CC(=O)NCC1(O)CN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001041046373 782290695 /nfs/dbraw/zinc/29/06/95/782290695.db2.gz AGKDDZFGRRTDHD-UHFFFAOYSA-N 1 2 266.301 -1.030 20 0 CAADLO CCOCC(=O)NCC1(O)CN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001041311876 782305338 /nfs/dbraw/zinc/30/53/38/782305338.db2.gz RFQMOULIGJEXQA-UHFFFAOYSA-N 1 2 296.327 -1.322 20 0 CAADLO COCC(=O)NCC1(O)CN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001041155081 782298781 /nfs/dbraw/zinc/29/87/81/782298781.db2.gz VVVNSWLLSQJRMO-UHFFFAOYSA-N 1 2 282.300 -1.712 20 0 CAADLO Cn1nnnc1C[N@@H+]1CC[C@@]2(CCN(C(=O)C(N)=O)C2)C1 ZINC001041618952 782313101 /nfs/dbraw/zinc/31/31/01/782313101.db2.gz VRDVIHMKKMANIB-GFCCVEGCSA-N 1 2 293.331 -1.880 20 0 CAADLO Cn1nnnc1C[N@H+]1CC[C@@]2(CCN(C(=O)C(N)=O)C2)C1 ZINC001041618952 782313104 /nfs/dbraw/zinc/31/31/04/782313104.db2.gz VRDVIHMKKMANIB-GFCCVEGCSA-N 1 2 293.331 -1.880 20 0 CAADLO Cn1ncnc1C[N@@H+]1CC[C@]2(CCN(C(=O)C(N)=O)C2)C1 ZINC001041613780 782313463 /nfs/dbraw/zinc/31/34/63/782313463.db2.gz HNSQRRYDMOIAAA-ZDUSSCGKSA-N 1 2 292.343 -1.275 20 0 CAADLO Cn1ncnc1C[N@H+]1CC[C@]2(CCN(C(=O)C(N)=O)C2)C1 ZINC001041613780 782313475 /nfs/dbraw/zinc/31/34/75/782313475.db2.gz HNSQRRYDMOIAAA-ZDUSSCGKSA-N 1 2 292.343 -1.275 20 0 CAADLO NC(=O)C(=O)N1CC[C@@]2(CC[N@H+](Cc3cnon3)C2)C1 ZINC001041627168 782314391 /nfs/dbraw/zinc/31/43/91/782314391.db2.gz FPEDUVPRRMFUJY-GFCCVEGCSA-N 1 2 279.300 -1.021 20 0 CAADLO NC(=O)C(=O)N1CC[C@@]2(CC[N@@H+](Cc3cnon3)C2)C1 ZINC001041627168 782314398 /nfs/dbraw/zinc/31/43/98/782314398.db2.gz FPEDUVPRRMFUJY-GFCCVEGCSA-N 1 2 279.300 -1.021 20 0 CAADLO Cn1nnnc1C[N@@H+]1CC[C@]2(CCN(C(=O)C(N)=O)C2)C1 ZINC001041618953 782315071 /nfs/dbraw/zinc/31/50/71/782315071.db2.gz VRDVIHMKKMANIB-LBPRGKRZSA-N 1 2 293.331 -1.880 20 0 CAADLO Cn1nnnc1C[N@H+]1CC[C@]2(CCN(C(=O)C(N)=O)C2)C1 ZINC001041618953 782315082 /nfs/dbraw/zinc/31/50/82/782315082.db2.gz VRDVIHMKKMANIB-LBPRGKRZSA-N 1 2 293.331 -1.880 20 0 CAADLO CO[C@H](C)C(=O)NCC1(O)CN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001041758230 782317424 /nfs/dbraw/zinc/31/74/24/782317424.db2.gz GJOCDBLRVGCMLV-SECBINFHSA-N 1 2 296.327 -1.323 20 0 CAADLO CO[C@@H](C)C(=O)NCC1(O)CN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001041758231 782317496 /nfs/dbraw/zinc/31/74/96/782317496.db2.gz GJOCDBLRVGCMLV-VIFPVBQESA-N 1 2 296.327 -1.323 20 0 CAADLO CO[C@H](C)C(=O)NCC1(O)CN(C(=O)Cn2cc[nH+]c2)C1 ZINC001041773697 782318817 /nfs/dbraw/zinc/31/88/17/782318817.db2.gz VZJIJKFBJHXVIS-SNVBAGLBSA-N 1 2 296.327 -1.393 20 0 CAADLO CS(=O)(=O)CC(=O)N1CC[C@H]2CC[N@H+](CCO)[C@@H]2C1 ZINC001041968527 782320773 /nfs/dbraw/zinc/32/07/73/782320773.db2.gz GSCYEXBOXDGBSM-GHMZBOCLSA-N 1 2 290.385 -1.054 20 0 CAADLO CS(=O)(=O)CC(=O)N1CC[C@H]2CC[N@@H+](CCO)[C@@H]2C1 ZINC001041968527 782320781 /nfs/dbraw/zinc/32/07/81/782320781.db2.gz GSCYEXBOXDGBSM-GHMZBOCLSA-N 1 2 290.385 -1.054 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)C(N)=O)C[C@H]21 ZINC001042211795 782326696 /nfs/dbraw/zinc/32/66/96/782326696.db2.gz VKCVMBMJQDGSGI-HTQZYQBOSA-N 1 2 254.290 -2.120 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)C(N)=O)C[C@H]21 ZINC001042211795 782326701 /nfs/dbraw/zinc/32/67/01/782326701.db2.gz VKCVMBMJQDGSGI-HTQZYQBOSA-N 1 2 254.290 -2.120 20 0 CAADLO Cn1nncc1C[N@@H+]1CC[C@@H]2CCN(C(=O)C(N)=O)C[C@@H]21 ZINC001042211904 782325748 /nfs/dbraw/zinc/32/57/48/782325748.db2.gz WKQKKDYRDZXNNX-KOLCDFICSA-N 1 2 292.343 -1.277 20 0 CAADLO Cn1nncc1C[N@H+]1CC[C@@H]2CCN(C(=O)C(N)=O)C[C@@H]21 ZINC001042211904 782325757 /nfs/dbraw/zinc/32/57/57/782325757.db2.gz WKQKKDYRDZXNNX-KOLCDFICSA-N 1 2 292.343 -1.277 20 0 CAADLO Cn1nncc1C[N@@H+]1CC[C@H]2CCN(C(=O)C(N)=O)C[C@@H]21 ZINC001042211906 782325870 /nfs/dbraw/zinc/32/58/70/782325870.db2.gz WKQKKDYRDZXNNX-ONGXEEELSA-N 1 2 292.343 -1.277 20 0 CAADLO Cn1nncc1C[N@H+]1CC[C@H]2CCN(C(=O)C(N)=O)C[C@@H]21 ZINC001042211906 782325874 /nfs/dbraw/zinc/32/58/74/782325874.db2.gz WKQKKDYRDZXNNX-ONGXEEELSA-N 1 2 292.343 -1.277 20 0 CAADLO CN(C(=O)[C@@H]1COCCO1)C1C[NH+](CCCO)C1 ZINC001042490859 782334360 /nfs/dbraw/zinc/33/43/60/782334360.db2.gz MEMKJVDCTBSAAF-NSHDSACASA-N 1 2 258.318 -1.073 20 0 CAADLO CN(C(=O)CN1CCCC1=O)C1C[NH+](CCO)C1 ZINC001042462069 782334375 /nfs/dbraw/zinc/33/43/75/782334375.db2.gz SNXJXXLDAYHHPO-UHFFFAOYSA-N 1 2 255.318 -1.256 20 0 CAADLO CN(C(=O)c1cc(=O)n(C)o1)C1C[NH+](CCO)C1 ZINC001042662018 782339980 /nfs/dbraw/zinc/33/99/80/782339980.db2.gz OQTMTGVDPCAMBA-UHFFFAOYSA-N 1 2 255.274 -1.273 20 0 CAADLO C[C@@H](C(=O)N(C)C1C[NH+](CCO)C1)n1cncn1 ZINC001042637632 782340593 /nfs/dbraw/zinc/34/05/93/782340593.db2.gz OZLFZRDXNFSSAB-VIFPVBQESA-N 1 2 253.306 -1.026 20 0 CAADLO CN(C(=O)c1cnnn1C)C1C[NH+](CCCO)C1 ZINC001042674783 782341157 /nfs/dbraw/zinc/34/11/57/782341157.db2.gz JVSLDSUHEZRRSZ-UHFFFAOYSA-N 1 2 253.306 -1.046 20 0 CAADLO CN(C(=O)c1cn(C)nn1)C1C[NH+](CCCO)C1 ZINC001042681638 782341477 /nfs/dbraw/zinc/34/14/77/782341477.db2.gz BIAVQWJWGZDRQP-UHFFFAOYSA-N 1 2 253.306 -1.046 20 0 CAADLO CN(C(=O)c1ncn(C)n1)C1C[NH+](CCCO)C1 ZINC001042686633 782342771 /nfs/dbraw/zinc/34/27/71/782342771.db2.gz UBYLGVVFTANDHP-UHFFFAOYSA-N 1 2 253.306 -1.046 20 0 CAADLO C[C@H](O)C[NH+]1CC(N(C)C(=O)c2ncn(C)n2)C1 ZINC001042689109 782343337 /nfs/dbraw/zinc/34/33/37/782343337.db2.gz WOAHLJQMFDDZPX-QMMMGPOBSA-N 1 2 253.306 -1.048 20 0 CAADLO COCC(=O)N1CC(O)(CNC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001042823923 782347770 /nfs/dbraw/zinc/34/77/70/782347770.db2.gz SACRHJRSJFDUGA-UHFFFAOYSA-N 1 2 296.327 -1.322 20 0 CAADLO COCCN1C[C@H](C(=O)N(C)C2C[NH+](CCO)C2)CC1=O ZINC001042835569 782349122 /nfs/dbraw/zinc/34/91/22/782349122.db2.gz SKGPSKQRIFGQIQ-LLVKDONJSA-N 1 2 299.371 -1.384 20 0 CAADLO CN(C(=O)Cn1ccc(=O)n(C)c1=O)C1C[NH+](CCO)C1 ZINC001042852057 782349422 /nfs/dbraw/zinc/34/94/22/782349422.db2.gz RMKHJNZFMXTIJH-UHFFFAOYSA-N 1 2 296.327 -2.318 20 0 CAADLO CN(C(=O)CN1CCCS1(=O)=O)C1C[NH+](CCO)C1 ZINC001042853274 782349511 /nfs/dbraw/zinc/34/95/11/782349511.db2.gz NRDFDRACLAYSEU-UHFFFAOYSA-N 1 2 291.373 -1.843 20 0 CAADLO CN(C(=O)c1cc(=O)n(C)cn1)C1C[NH+](CCO)C1 ZINC001042966851 782353396 /nfs/dbraw/zinc/35/33/96/782353396.db2.gz KYWTTZOMHXUKJY-UHFFFAOYSA-N 1 2 266.301 -1.471 20 0 CAADLO CN(C(=O)[C@@H]1CCCNC1=O)C1C[NH+](CCO)C1 ZINC001042993043 782354923 /nfs/dbraw/zinc/35/49/23/782354923.db2.gz WPMAWBWBJLPGAV-SNVBAGLBSA-N 1 2 255.318 -1.353 20 0 CAADLO CN(C(=O)[C@H]1CCCC(=O)N1)C1C[NH+](CCO)C1 ZINC001043011623 782355632 /nfs/dbraw/zinc/35/56/32/782355632.db2.gz LSYNOXGUHJXZEY-SNVBAGLBSA-N 1 2 255.318 -1.210 20 0 CAADLO CN(C(=O)[C@H]1CCC2N=NC(=O)N2C1)C1C[NH+](CCO)C1 ZINC001043126895 782358940 /nfs/dbraw/zinc/35/89/40/782358940.db2.gz ABVPOWHDXRFKIG-VIFPVBQESA-N 1 2 295.343 -1.319 20 0 CAADLO CN(C(=O)Cc1ccc(C(N)=O)nc1)C1C[NH+](CCO)C1 ZINC001043085391 782356647 /nfs/dbraw/zinc/35/66/47/782356647.db2.gz DBDZYEAOYUIVJE-UHFFFAOYSA-N 1 2 292.339 -1.142 20 0 CAADLO CN(C(=O)[C@@H]1CCCN(C(N)=O)C1)C1C[NH+](CCO)C1 ZINC001043269579 782361668 /nfs/dbraw/zinc/36/16/68/782361668.db2.gz XFFRPOMQKQHIAK-SNVBAGLBSA-N 1 2 284.360 -1.088 20 0 CAADLO CN(C(=O)Cn1ncn(C)c1=O)C1C[NH+](CCO)C1 ZINC001043170080 782359807 /nfs/dbraw/zinc/35/98/07/782359807.db2.gz NICZSJTZLIMPAG-UHFFFAOYSA-N 1 2 269.305 -2.283 20 0 CAADLO COCC[NH+]1CC(N(C)C(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001043246751 782361045 /nfs/dbraw/zinc/36/10/45/782361045.db2.gz UNMRZNBEVRSFNG-UHFFFAOYSA-N 1 2 296.327 -1.262 20 0 CAADLO CN(C(=O)Cn1ccc(=O)[nH]c1=O)C1C[NH+](CCO)C1 ZINC001043245943 782361076 /nfs/dbraw/zinc/36/10/76/782361076.db2.gz BKTMXYVCPYKLAL-UHFFFAOYSA-N 1 2 282.300 -1.916 20 0 CAADLO CN(C(=O)CN1CCNC(=O)C1)C1C[NH+](CCO)C1 ZINC001043519934 782367579 /nfs/dbraw/zinc/36/75/79/782367579.db2.gz BPLTYJVYPQPCLQ-UHFFFAOYSA-N 1 2 270.333 -2.447 20 0 CAADLO CN(C(=O)c1nnn(C)n1)C1C[NH+](CCCO)C1 ZINC001043545984 782370346 /nfs/dbraw/zinc/37/03/46/782370346.db2.gz BFIIWILHOMKQTO-UHFFFAOYSA-N 1 2 254.294 -1.651 20 0 CAADLO CC[C@@H](C(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(N)=O)C2 ZINC001095954034 782373915 /nfs/dbraw/zinc/37/39/15/782373915.db2.gz AMTGYLQPDYPJMI-XGEHTFHBSA-N 1 2 268.317 -1.543 20 0 CAADLO CC[C@@H](C(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(N)=O)C2 ZINC001095954034 782373922 /nfs/dbraw/zinc/37/39/22/782373922.db2.gz AMTGYLQPDYPJMI-XGEHTFHBSA-N 1 2 268.317 -1.543 20 0 CAADLO CN(C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(N)=O)C2 ZINC001095952947 782374159 /nfs/dbraw/zinc/37/41/59/782374159.db2.gz FOJXHXWKGGWHQG-VGMNWLOBSA-N 1 2 268.317 -1.719 20 0 CAADLO CN(C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(N)=O)C2 ZINC001095952947 782374170 /nfs/dbraw/zinc/37/41/70/782374170.db2.gz FOJXHXWKGGWHQG-VGMNWLOBSA-N 1 2 268.317 -1.719 20 0 CAADLO CN(C(=O)[C@@H]1CNC(=O)N1)C1C[NH+](CCn2cccn2)C1 ZINC001043704059 782374496 /nfs/dbraw/zinc/37/44/96/782374496.db2.gz HVQXURAJKYKXPZ-NSHDSACASA-N 1 2 292.343 -1.293 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(N)=O)C2 ZINC001095954563 782378349 /nfs/dbraw/zinc/37/83/49/782378349.db2.gz ZTELYZNROWCZCT-YWIQKCBGSA-N 1 2 254.290 -1.933 20 0 CAADLO CCC(=O)N1CC(O)(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001043710578 782374625 /nfs/dbraw/zinc/37/46/25/782374625.db2.gz IAEYCMNONJBBKY-UHFFFAOYSA-N 1 2 266.301 -1.017 20 0 CAADLO CN(C(=O)[C@@H]1CNC(=O)N1)C1CN(Cc2c[nH+]cn2C)C1 ZINC001043705085 782375257 /nfs/dbraw/zinc/37/52/57/782375257.db2.gz SYJMDZXNOYDXAG-NSHDSACASA-N 1 2 292.343 -1.256 20 0 CAADLO NC(=O)C(=O)N1CC(O)(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001043710819 782375733 /nfs/dbraw/zinc/37/57/33/782375733.db2.gz KIDZIOQJJQGRBB-UHFFFAOYSA-N 1 2 281.272 -2.942 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(N)=O)C2 ZINC001095954563 782378339 /nfs/dbraw/zinc/37/83/39/782378339.db2.gz ZTELYZNROWCZCT-YWIQKCBGSA-N 1 2 254.290 -1.933 20 0 CAADLO CN(C(=O)C(N)=O)C1CN(Cc2c[nH+]cn2C)C1 ZINC001043713451 782377186 /nfs/dbraw/zinc/37/71/86/782377186.db2.gz HOOFJXQCHFRYBQ-UHFFFAOYSA-N 1 2 251.290 -1.452 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(N)=O)C2 ZINC001095954562 782377444 /nfs/dbraw/zinc/37/74/44/782377444.db2.gz ZTELYZNROWCZCT-NGJRWZKOSA-N 1 2 254.290 -1.933 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(N)=O)C2 ZINC001095954562 782377454 /nfs/dbraw/zinc/37/74/54/782377454.db2.gz ZTELYZNROWCZCT-NGJRWZKOSA-N 1 2 254.290 -1.933 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(N)=O)C2 ZINC001095954300 782378149 /nfs/dbraw/zinc/37/81/49/782378149.db2.gz NQVHZUIKIHXFGB-KZVJFYERSA-N 1 2 268.317 -1.672 20 0 CAADLO CNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(N)=O)C2 ZINC001095954300 782378154 /nfs/dbraw/zinc/37/81/54/782378154.db2.gz NQVHZUIKIHXFGB-KZVJFYERSA-N 1 2 268.317 -1.672 20 0 CAADLO CN(C(=O)[C@H]1CCN(C)C1=O)C1C[NH+](CCO)C1 ZINC001043576440 782372321 /nfs/dbraw/zinc/37/23/21/782372321.db2.gz SZYVZWXBWNIWDK-JTQLQIEISA-N 1 2 255.318 -1.400 20 0 CAADLO CN(C(=O)c1c[nH]c(=O)cn1)C1C[NH+](CCO)C1 ZINC001043669981 782373199 /nfs/dbraw/zinc/37/31/99/782373199.db2.gz GGFKKSRZKDSXJD-UHFFFAOYSA-N 1 2 252.274 -1.482 20 0 CAADLO CN(C(=O)c1cn(C)c(=O)[nH]1)C1C[NH+](CCO)C1 ZINC001043748513 782380008 /nfs/dbraw/zinc/38/00/08/782380008.db2.gz VQESSTKZQZIRGC-UHFFFAOYSA-N 1 2 254.290 -1.126 20 0 CAADLO CN(C(=O)[C@]1(C)CCNC1=O)C1C[NH+](CCO)C1 ZINC001043851884 782382500 /nfs/dbraw/zinc/38/25/00/782382500.db2.gz LVRQSSQUYARMOV-GFCCVEGCSA-N 1 2 255.318 -1.353 20 0 CAADLO CN(C(=O)C(N)=O)C1C[NH+](C[C@H]2CCc3ncnn32)C1 ZINC001043721970 782378427 /nfs/dbraw/zinc/37/84/27/782378427.db2.gz VCHJAFOKFDGNFH-MRVPVSSYSA-N 1 2 278.316 -1.607 20 0 CAADLO CN1CC[C@H]([N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C(N)=O)C3)C1=O ZINC001095955614 782378491 /nfs/dbraw/zinc/37/84/91/782378491.db2.gz OKDLZSZWDJYCBM-KATARQTJSA-N 1 2 280.328 -1.576 20 0 CAADLO CN1CC[C@H]([N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C(N)=O)C3)C1=O ZINC001095955614 782378501 /nfs/dbraw/zinc/37/85/01/782378501.db2.gz OKDLZSZWDJYCBM-KATARQTJSA-N 1 2 280.328 -1.576 20 0 CAADLO CN(C(=O)C[C@@H]1CCC(=O)N1)C1C[NH+](CCO)C1 ZINC001044045880 782388041 /nfs/dbraw/zinc/38/80/41/782388041.db2.gz PHGPARNACIXECY-VIFPVBQESA-N 1 2 255.318 -1.210 20 0 CAADLO COCC[NH+]1CC(N(C)C(=O)C2CC(=O)NC(=O)C2)C1 ZINC001044047517 782388518 /nfs/dbraw/zinc/38/85/18/782388518.db2.gz KBWJWJSSYOLSMF-UHFFFAOYSA-N 1 2 283.328 -1.172 20 0 CAADLO Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)N(C)C1C[NH+](CCO)C1 ZINC001044087628 782389880 /nfs/dbraw/zinc/38/98/80/782389880.db2.gz YPYACWSQWSYLLU-UHFFFAOYSA-N 1 2 296.327 -1.126 20 0 CAADLO CNC(=O)CN1CC(N(C)C(=O)Cc2c[nH+]cn2C)C1 ZINC001044186212 782390793 /nfs/dbraw/zinc/39/07/93/782390793.db2.gz KQPSRWHMEIGEOO-UHFFFAOYSA-N 1 2 279.344 -1.149 20 0 CAADLO CN(C)C(=O)[C@@H]1CC[C@H](C(=O)N(C)C2C[NH+](CCO)C2)O1 ZINC001043859143 782383883 /nfs/dbraw/zinc/38/38/83/782383883.db2.gz SGDPLDXGOWUCRA-NWDGAFQWSA-N 1 2 299.371 -1.243 20 0 CAADLO C[C@H](C(N)=O)N1CC(N(C)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001043975771 782384784 /nfs/dbraw/zinc/38/47/84/782384784.db2.gz FJAQRPYXQHTKQU-MRVPVSSYSA-N 1 2 265.317 -1.031 20 0 CAADLO COCC[NH+]1CC(N(C)C(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001043893708 782385145 /nfs/dbraw/zinc/38/51/45/782385145.db2.gz PMTQFQRBGBYODS-ZJUUUORDSA-N 1 2 255.318 -1.103 20 0 CAADLO CN(C(=O)[C@@H]1CC(=O)NC(=O)N1)C1C[NH+](CCO)C1 ZINC001043982666 782385592 /nfs/dbraw/zinc/38/55/92/782385592.db2.gz ZOADDTIVMWLHJK-QMMMGPOBSA-N 1 2 270.289 -2.281 20 0 CAADLO CN(C(=O)Cc1c[nH+]c[nH]1)C1CN(Cc2nnn(C)n2)C1 ZINC001043978042 782386191 /nfs/dbraw/zinc/38/61/91/782386191.db2.gz OLXHGUCPXJFQLX-UHFFFAOYSA-N 1 2 290.331 -1.182 20 0 CAADLO CC(=O)N1CC(O)(CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001044007393 782386745 /nfs/dbraw/zinc/38/67/45/782386745.db2.gz NRDNGCSLCCLASG-UHFFFAOYSA-N 1 2 266.301 -1.328 20 0 CAADLO CN(C(=O)Cc1c[nH+]cn1C)C1CN(CC(N)=O)C1 ZINC001044189324 782393564 /nfs/dbraw/zinc/39/35/64/782393564.db2.gz SVHJOPNZOSJIAI-UHFFFAOYSA-N 1 2 265.317 -1.410 20 0 CAADLO COCC[NH+]1CC(N(C)C(=O)CN2C(=O)CNC2=O)C1 ZINC001044271840 782394242 /nfs/dbraw/zinc/39/42/42/782394242.db2.gz UZDAODCCGICXLO-UHFFFAOYSA-N 1 2 284.316 -1.673 20 0 CAADLO CN(C(=O)CN1C(=O)NC(C)(C)C1=O)C1C[NH+](CCO)C1 ZINC001044261351 782394520 /nfs/dbraw/zinc/39/45/20/782394520.db2.gz ZISCRAYCMMZIKU-UHFFFAOYSA-N 1 2 298.343 -1.548 20 0 CAADLO CC(=O)N1CCO[C@@H](C(=O)N(C)C2C[NH+](CCCO)C2)C1 ZINC001044249252 782394620 /nfs/dbraw/zinc/39/46/20/782394620.db2.gz YVMCLTJVJGQKQH-CYBMUJFWSA-N 1 2 299.371 -1.241 20 0 CAADLO CN(C(=O)Cc1nc2ncccn2n1)C1C[NH+](CCO)C1 ZINC001044293698 782396038 /nfs/dbraw/zinc/39/60/38/782396038.db2.gz HJNKIXNFWQWRON-UHFFFAOYSA-N 1 2 290.327 -1.198 20 0 CAADLO COCC[NH+]1CC(N(C)C(=O)CN2C(=O)CCC2=O)C1 ZINC001044275689 782396723 /nfs/dbraw/zinc/39/67/23/782396723.db2.gz LEGVFMQMXDKKOP-UHFFFAOYSA-N 1 2 283.328 -1.076 20 0 CAADLO CN(C(=O)C[C@@H]1CC(=O)NC1=O)C1C[NH+](CCO)C1 ZINC001044383641 782399297 /nfs/dbraw/zinc/39/92/97/782399297.db2.gz SPWSHJOWPXRARM-QMMMGPOBSA-N 1 2 269.301 -1.826 20 0 CAADLO CN(C(=O)CN1C(=O)CN(C)C1=O)C1C[NH+](CCO)C1 ZINC001044273379 782396868 /nfs/dbraw/zinc/39/68/68/782396868.db2.gz OOAAFPCUFXNOIQ-UHFFFAOYSA-N 1 2 284.316 -1.985 20 0 CAADLO C[C@H](O)C[NH+]1CC(N(C)C(=O)c2nccnc2C(N)=O)C1 ZINC001044277189 782396881 /nfs/dbraw/zinc/39/68/81/782396881.db2.gz QEAJXJRGQKSRQA-QMMMGPOBSA-N 1 2 293.327 -1.288 20 0 CAADLO CN(C(=O)CN1C(=O)CCC1=O)C1C[NH+](CCO)C1 ZINC001044275525 782396986 /nfs/dbraw/zinc/39/69/86/782396986.db2.gz IATVIAPAPOCGTQ-UHFFFAOYSA-N 1 2 269.301 -1.730 20 0 CAADLO CN(C(=O)c1cn(CC(N)=O)nn1)C1C[NH+](CCCO)C1 ZINC001044335999 782397692 /nfs/dbraw/zinc/39/76/92/782397692.db2.gz UNOPHRYVWSJCDR-UHFFFAOYSA-N 1 2 296.331 -2.098 20 0 CAADLO CN(C(=O)Cn1cc[nH+]c1)C1CN([C@@H]2CCNC2=O)C1 ZINC001044365085 782397738 /nfs/dbraw/zinc/39/77/38/782397738.db2.gz JBOZOGLMGXJEPA-LLVKDONJSA-N 1 2 277.328 -1.086 20 0 CAADLO COCC(=O)N1CC(O)(CNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001044323560 782397863 /nfs/dbraw/zinc/39/78/63/782397863.db2.gz OYTFFUYINPZEBA-UHFFFAOYSA-N 1 2 296.327 -1.403 20 0 CAADLO C[C@@H](C(N)=O)N1CC(N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC001044365639 782397903 /nfs/dbraw/zinc/39/79/03/782397903.db2.gz XQUWQNLLHFIIFA-VIFPVBQESA-N 1 2 265.317 -1.101 20 0 CAADLO CN(C(=O)[C@H]1CCc2nncn2C1)C1C[NH+](CCO)C1 ZINC001044328571 782398073 /nfs/dbraw/zinc/39/80/73/782398073.db2.gz ITEQLFVDZOLENR-JTQLQIEISA-N 1 2 279.344 -1.025 20 0 CAADLO CN(C(=O)Cn1cc[nH+]c1)C1CN(Cc2nnn(C)n2)C1 ZINC001044365590 782398370 /nfs/dbraw/zinc/39/83/70/782398370.db2.gz VWCLBVPVNVTSEV-UHFFFAOYSA-N 1 2 290.331 -1.251 20 0 CAADLO CC(=O)N1CCOC[C@@H]1C(=O)N(C)C1C[NH+](CCO)C1 ZINC001044312938 782398386 /nfs/dbraw/zinc/39/83/86/782398386.db2.gz HSPHTPLOCIMODB-GFCCVEGCSA-N 1 2 285.344 -1.631 20 0 CAADLO CC(=O)N1CC[C@H](C(=O)N(C)C2C[NH+](CCO)C2)C1 ZINC001044239406 782392604 /nfs/dbraw/zinc/39/26/04/782392604.db2.gz BUJKMFMWVHJSLH-NSHDSACASA-N 1 2 269.345 -1.010 20 0 CAADLO Cn1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(N)=O)[nH]c1=O ZINC001095970851 782392882 /nfs/dbraw/zinc/39/28/82/782392882.db2.gz UMHFYQLRHVWVAL-WEDXCCLWSA-N 1 2 293.327 -1.054 20 0 CAADLO Cn1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(N)=O)[nH]c1=O ZINC001095970851 782392892 /nfs/dbraw/zinc/39/28/92/782392892.db2.gz UMHFYQLRHVWVAL-WEDXCCLWSA-N 1 2 293.327 -1.054 20 0 CAADLO C[C@@H](C(=O)N(C)C1C[NH+](CCO)C1)N1CCOCC1 ZINC001044377266 782400281 /nfs/dbraw/zinc/40/02/81/782400281.db2.gz COLMIUHIGXKSHF-NSHDSACASA-N 1 2 271.361 -1.158 20 0 CAADLO C[C@@]1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(N)=O)CCC(=O)N1 ZINC001095975725 782400334 /nfs/dbraw/zinc/40/03/34/782400334.db2.gz UYASPDPRJOBSRW-YCWTYVPXSA-N 1 2 294.355 -1.138 20 0 CAADLO C[C@@]1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(N)=O)CCC(=O)N1 ZINC001095975725 782400337 /nfs/dbraw/zinc/40/03/37/782400337.db2.gz UYASPDPRJOBSRW-YCWTYVPXSA-N 1 2 294.355 -1.138 20 0 CAADLO CN(C(=O)[C@@H]1CCCN1C(N)=O)C1C[NH+](CCO)C1 ZINC001044371140 782400445 /nfs/dbraw/zinc/40/04/45/782400445.db2.gz GEPRICKLQYISAT-JTQLQIEISA-N 1 2 270.333 -1.336 20 0 CAADLO C[C@@H]1C[C@@H]([NH2+]CC(N)=O)CCN1C(=O)Cc1ncn[nH]1 ZINC001044814508 782408665 /nfs/dbraw/zinc/40/86/65/782408665.db2.gz FJQOYYXVKZHAPR-BDAKNGLRSA-N 1 2 280.332 -1.198 20 0 CAADLO C[C@H]1C[C@@H]([NH2+]CC(N)=O)CCN1C(=O)Cc1ncn[nH]1 ZINC001044814510 782407777 /nfs/dbraw/zinc/40/77/77/782407777.db2.gz FJQOYYXVKZHAPR-IUCAKERBSA-N 1 2 280.332 -1.198 20 0 CAADLO Cn1[nH]c(C[NH2+]C[C@@H]2CCCN2C(=O)C(N)=O)nc1=O ZINC001045178836 782412898 /nfs/dbraw/zinc/41/28/98/782412898.db2.gz QNLCAUNKRHYNGF-ZETCQYMHSA-N 1 2 282.304 -2.326 20 0 CAADLO NC(=O)CC(=O)N1CC(O)(CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001045277135 782415352 /nfs/dbraw/zinc/41/53/52/782415352.db2.gz JGIVDMCBRFBQRV-UHFFFAOYSA-N 1 2 295.299 -2.483 20 0 CAADLO CO[C@@H](C)C(=O)N1CC(O)(CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001045276979 782414576 /nfs/dbraw/zinc/41/45/76/782414576.db2.gz CCQGKEIALHGKHZ-VIFPVBQESA-N 1 2 296.327 -1.323 20 0 CAADLO O=C(Cc1ncn[nH]1)N1CCC[C@H]1C[NH2+][C@@H]1CCNC1=O ZINC001045270714 782414918 /nfs/dbraw/zinc/41/49/18/782414918.db2.gz WEYDVSWBAYIJGD-VHSXEESVSA-N 1 2 292.343 -1.184 20 0 CAADLO O=C(Cc1[nH]cc[nH+]1)NCC1(O)CN(C(=O)C(F)F)C1 ZINC001045282213 782415058 /nfs/dbraw/zinc/41/50/58/782415058.db2.gz WXGDZHMUIPKQKS-UHFFFAOYSA-N 1 2 288.254 -1.093 20 0 CAADLO Cc1[nH+]c[nH]c1CC(=O)N1CC(O)(CNC(=O)C(N)=O)C1 ZINC001045496252 782417610 /nfs/dbraw/zinc/41/76/10/782417610.db2.gz BLCLZRMBTXCEGY-UHFFFAOYSA-N 1 2 295.299 -2.565 20 0 CAADLO NC(=O)C(=O)NCC1(O)CN(C(=O)Cn2cc[nH+]c2)C1 ZINC001045505124 782420239 /nfs/dbraw/zinc/42/02/39/782420239.db2.gz VNOYJYRBOYLZFN-UHFFFAOYSA-N 1 2 281.272 -2.942 20 0 CAADLO NC(=O)C(=O)NCC1(O)CN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001045505220 782420378 /nfs/dbraw/zinc/42/03/78/782420378.db2.gz YGEYYWGOUPKUID-UHFFFAOYSA-N 1 2 295.299 -2.483 20 0 CAADLO NC(=O)C(=O)NCC1(O)CN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001045505220 782420385 /nfs/dbraw/zinc/42/03/85/782420385.db2.gz YGEYYWGOUPKUID-UHFFFAOYSA-N 1 2 295.299 -2.483 20 0 CAADLO NC(=O)C(=O)NCC1(O)CN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001045521657 782426098 /nfs/dbraw/zinc/42/60/98/782426098.db2.gz KXXVBADTSMEOKD-UHFFFAOYSA-N 1 2 295.299 -2.483 20 0 CAADLO CC(=O)N1CC[NH+]([C@H]2CCN(Cc3nnn(C)n3)C2)CC1 ZINC001045992084 782431354 /nfs/dbraw/zinc/43/13/54/782431354.db2.gz HPQDOWGSCHEWRP-LBPRGKRZSA-N 1 2 293.375 -1.052 20 0 CAADLO CC(=O)N1CC[NH+]([C@@H]2CCN(Cc3nnn(C)n3)C2)CC1 ZINC001045992083 782432268 /nfs/dbraw/zinc/43/22/68/782432268.db2.gz HPQDOWGSCHEWRP-GFCCVEGCSA-N 1 2 293.375 -1.052 20 0 CAADLO CC(=O)N1CC[NH+]([C@@H]2CCN(Cc3nnnn3C)C2)CC1 ZINC001045992879 782432554 /nfs/dbraw/zinc/43/25/54/782432554.db2.gz QAFILBOPIGRCTO-GFCCVEGCSA-N 1 2 293.375 -1.052 20 0 CAADLO C[C@]1(NC(=O)C2=COCCO2)CC[N@H+](CC(N)=O)C1 ZINC001046114011 782433913 /nfs/dbraw/zinc/43/39/13/782433913.db2.gz SDQHHNCQGHELRG-LBPRGKRZSA-N 1 2 269.301 -1.060 20 0 CAADLO C[C@]1(NC(=O)C2=COCCO2)CC[N@@H+](CC(N)=O)C1 ZINC001046114011 782433916 /nfs/dbraw/zinc/43/39/16/782433916.db2.gz SDQHHNCQGHELRG-LBPRGKRZSA-N 1 2 269.301 -1.060 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@](C)(NC(=O)c2nccnc2N)C1 ZINC001046204431 782434458 /nfs/dbraw/zinc/43/44/58/782434458.db2.gz NQUNGWYZYTWDML-CYBMUJFWSA-N 1 2 292.343 -1.001 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@](C)(NC(=O)c2nccnc2N)C1 ZINC001046204431 782434463 /nfs/dbraw/zinc/43/44/63/782434463.db2.gz NQUNGWYZYTWDML-CYBMUJFWSA-N 1 2 292.343 -1.001 20 0 CAADLO Cn1oc(C(=O)N[C@@]2(C)CC[N@H+](CC(N)=O)C2)cc1=O ZINC001046274366 782435512 /nfs/dbraw/zinc/43/55/12/782435512.db2.gz IGVRTLZRSSNJRG-LBPRGKRZSA-N 1 2 282.300 -1.342 20 0 CAADLO Cn1oc(C(=O)N[C@@]2(C)CC[N@@H+](CC(N)=O)C2)cc1=O ZINC001046274366 782435521 /nfs/dbraw/zinc/43/55/21/782435521.db2.gz IGVRTLZRSSNJRG-LBPRGKRZSA-N 1 2 282.300 -1.342 20 0 CAADLO Cn1ncc(C(=O)N[C@@]2(C)CC[N@H+](CC(N)=O)C2)c1N ZINC001046259595 782436579 /nfs/dbraw/zinc/43/65/79/782436579.db2.gz PJOHULUUGOAECQ-LBPRGKRZSA-N 1 2 280.332 -1.318 20 0 CAADLO Cn1ncc(C(=O)N[C@@]2(C)CC[N@@H+](CC(N)=O)C2)c1N ZINC001046259595 782436584 /nfs/dbraw/zinc/43/65/84/782436584.db2.gz PJOHULUUGOAECQ-LBPRGKRZSA-N 1 2 280.332 -1.318 20 0 CAADLO Cn1ncc(C(=O)N[C@]2(C)CC[N@H+](CC(N)=O)C2)c1N ZINC001046259594 782437323 /nfs/dbraw/zinc/43/73/23/782437323.db2.gz PJOHULUUGOAECQ-GFCCVEGCSA-N 1 2 280.332 -1.318 20 0 CAADLO Cn1ncc(C(=O)N[C@]2(C)CC[N@@H+](CC(N)=O)C2)c1N ZINC001046259594 782437328 /nfs/dbraw/zinc/43/73/28/782437328.db2.gz PJOHULUUGOAECQ-GFCCVEGCSA-N 1 2 280.332 -1.318 20 0 CAADLO Cn1nncc1C(=O)N[C@@]1(C)CC[N@H+](CC(N)=O)C1 ZINC001046285972 782437401 /nfs/dbraw/zinc/43/74/01/782437401.db2.gz NMRAMTFDNULPJY-NSHDSACASA-N 1 2 266.305 -1.505 20 0 CAADLO Cn1nncc1C(=O)N[C@@]1(C)CC[N@@H+](CC(N)=O)C1 ZINC001046285972 782437404 /nfs/dbraw/zinc/43/74/04/782437404.db2.gz NMRAMTFDNULPJY-NSHDSACASA-N 1 2 266.305 -1.505 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CC[C@@](C)(NC(=O)c2nnn(C)n2)C1 ZINC001046548553 782440540 /nfs/dbraw/zinc/44/05/40/782440540.db2.gz QMDAGUFOFHTZLP-RDDDGLTNSA-N 1 2 281.320 -1.722 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CC[C@@](C)(NC(=O)c2nnn(C)n2)C1 ZINC001046548553 782440548 /nfs/dbraw/zinc/44/05/48/782440548.db2.gz QMDAGUFOFHTZLP-RDDDGLTNSA-N 1 2 281.320 -1.722 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@](C)(NC(=O)c2nnn(C)n2)C1 ZINC001046545313 782440573 /nfs/dbraw/zinc/44/05/73/782440573.db2.gz ZNWWGAKWNVJODF-NSHDSACASA-N 1 2 281.320 -1.850 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@](C)(NC(=O)c2nnn(C)n2)C1 ZINC001046545313 782440579 /nfs/dbraw/zinc/44/05/79/782440579.db2.gz ZNWWGAKWNVJODF-NSHDSACASA-N 1 2 281.320 -1.850 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@](C)(NC(=O)c2cnn(C)n2)C1 ZINC001046700032 782445439 /nfs/dbraw/zinc/44/54/39/782445439.db2.gz WAVFUZNOSZTYHI-GFCCVEGCSA-N 1 2 280.332 -1.245 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@](C)(NC(=O)c2cnn(C)n2)C1 ZINC001046700032 782445443 /nfs/dbraw/zinc/44/54/43/782445443.db2.gz WAVFUZNOSZTYHI-GFCCVEGCSA-N 1 2 280.332 -1.245 20 0 CAADLO C[C@@]1(NC(=O)c2ccc(C(N)=O)[nH]2)CC[N@H+](CC(N)=O)C1 ZINC001046626705 782442912 /nfs/dbraw/zinc/44/29/12/782442912.db2.gz TWUAXTHCWHUSMA-CYBMUJFWSA-N 1 2 293.327 -1.207 20 0 CAADLO C[C@@]1(NC(=O)c2ccc(C(N)=O)[nH]2)CC[N@@H+](CC(N)=O)C1 ZINC001046626705 782442917 /nfs/dbraw/zinc/44/29/17/782442917.db2.gz TWUAXTHCWHUSMA-CYBMUJFWSA-N 1 2 293.327 -1.207 20 0 CAADLO CN(C(=O)C1CC1)[C@H]1C[N@@H+]([C@@H]2CCC(=O)NC2=O)C[C@@H]1O ZINC001047272520 782453652 /nfs/dbraw/zinc/45/36/52/782453652.db2.gz GKMIWBNLYDIBEV-VWYCJHECSA-N 1 2 295.339 -1.295 20 0 CAADLO CN(C(=O)C1CC1)[C@H]1C[N@H+]([C@@H]2CCC(=O)NC2=O)C[C@@H]1O ZINC001047272520 782453657 /nfs/dbraw/zinc/45/36/57/782453657.db2.gz GKMIWBNLYDIBEV-VWYCJHECSA-N 1 2 295.339 -1.295 20 0 CAADLO CN(C(=O)C1CC1)[C@H]1C[N@@H+]([C@H]2CCC(=O)NC2=O)C[C@@H]1O ZINC001047272519 782453735 /nfs/dbraw/zinc/45/37/35/782453735.db2.gz GKMIWBNLYDIBEV-DCAQKATOSA-N 1 2 295.339 -1.295 20 0 CAADLO CN(C(=O)C1CC1)[C@H]1C[N@H+]([C@H]2CCC(=O)NC2=O)C[C@@H]1O ZINC001047272519 782453739 /nfs/dbraw/zinc/45/37/39/782453739.db2.gz GKMIWBNLYDIBEV-DCAQKATOSA-N 1 2 295.339 -1.295 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C2CC2)C1 ZINC001047273077 782453848 /nfs/dbraw/zinc/45/38/48/782453848.db2.gz KMORCYAXOQQMEJ-HGNGGELXSA-N 1 2 255.318 -1.226 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C2CC2)C1 ZINC001047273077 782453850 /nfs/dbraw/zinc/45/38/50/782453850.db2.gz KMORCYAXOQQMEJ-HGNGGELXSA-N 1 2 255.318 -1.226 20 0 CAADLO CN(C(=O)C1CC1)[C@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@@H]1O ZINC001047273914 782454574 /nfs/dbraw/zinc/45/45/74/782454574.db2.gz UZMHPWOFZQLDPX-VWYCJHECSA-N 1 2 267.329 -1.212 20 0 CAADLO CN(C(=O)C1CC1)[C@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@@H]1O ZINC001047273914 782454578 /nfs/dbraw/zinc/45/45/78/782454578.db2.gz UZMHPWOFZQLDPX-VWYCJHECSA-N 1 2 267.329 -1.212 20 0 CAADLO COCC(=O)N1CC(O)(CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001047177869 782451620 /nfs/dbraw/zinc/45/16/20/782451620.db2.gz WZZDXMMRFUBJDB-UHFFFAOYSA-N 1 2 282.300 -1.712 20 0 CAADLO CNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnn(C)n1)C2 ZINC001096164558 782451643 /nfs/dbraw/zinc/45/16/43/782451643.db2.gz WZJHIDHWNUIIDH-YWVKMMECSA-N 1 2 292.343 -1.104 20 0 CAADLO CNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnn(C)n1)C2 ZINC001096164558 782451648 /nfs/dbraw/zinc/45/16/48/782451648.db2.gz WZJHIDHWNUIIDH-YWVKMMECSA-N 1 2 292.343 -1.104 20 0 CAADLO O=C(Cc1c[nH]c[nH+]1)NCC1(O)CN(C(=O)C(F)F)C1 ZINC001047172705 782452012 /nfs/dbraw/zinc/45/20/12/782452012.db2.gz WSZIGMFQNPHHGS-UHFFFAOYSA-N 1 2 288.254 -1.093 20 0 CAADLO CO[C@@H](C)C(=O)N1CC(O)(CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001047170953 782452097 /nfs/dbraw/zinc/45/20/97/782452097.db2.gz BZHLTXDSIAFLBU-VIFPVBQESA-N 1 2 296.327 -1.323 20 0 CAADLO CCC(=O)N(C)[C@H]1C[N@@H+]([C@H]2CCC(=O)NC2=O)C[C@@H]1O ZINC001047268209 782454405 /nfs/dbraw/zinc/45/44/05/782454405.db2.gz LXRZARDIURETSQ-GUBZILKMSA-N 1 2 283.328 -1.295 20 0 CAADLO CCC(=O)N(C)[C@H]1C[N@H+]([C@H]2CCC(=O)NC2=O)C[C@@H]1O ZINC001047268209 782454412 /nfs/dbraw/zinc/45/44/12/782454412.db2.gz LXRZARDIURETSQ-GUBZILKMSA-N 1 2 283.328 -1.295 20 0 CAADLO CCC(=O)N(C)[C@H]1C[N@@H+]([C@@H]2CCC(=O)NC2=O)C[C@@H]1O ZINC001047268213 782453369 /nfs/dbraw/zinc/45/33/69/782453369.db2.gz LXRZARDIURETSQ-UTLUCORTSA-N 1 2 283.328 -1.295 20 0 CAADLO CCC(=O)N(C)[C@H]1C[N@H+]([C@@H]2CCC(=O)NC2=O)C[C@@H]1O ZINC001047268213 782453376 /nfs/dbraw/zinc/45/33/76/782453376.db2.gz LXRZARDIURETSQ-UTLUCORTSA-N 1 2 283.328 -1.295 20 0 CAADLO CC(=O)N(C)[C@H]1C[N@H+](CC(=O)N2CCO[C@H](C)C2)C[C@@H]1O ZINC001047272237 782453519 /nfs/dbraw/zinc/45/35/19/782453519.db2.gz XAOZUEPXZRPQIO-WXHSDQCUSA-N 1 2 299.371 -1.243 20 0 CAADLO CC(=O)N(C)[C@H]1C[N@@H+](CC(=O)N2CCO[C@H](C)C2)C[C@@H]1O ZINC001047272237 782453523 /nfs/dbraw/zinc/45/35/23/782453523.db2.gz XAOZUEPXZRPQIO-WXHSDQCUSA-N 1 2 299.371 -1.243 20 0 CAADLO CNC(=O)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc[nH]2)C1 ZINC001047301217 782455594 /nfs/dbraw/zinc/45/55/94/782455594.db2.gz CKAWDJMLFGWQDV-QWRGUYRKSA-N 1 2 280.328 -1.122 20 0 CAADLO CNC(=O)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc[nH]2)C1 ZINC001047301217 782455600 /nfs/dbraw/zinc/45/56/00/782455600.db2.gz CKAWDJMLFGWQDV-QWRGUYRKSA-N 1 2 280.328 -1.122 20 0 CAADLO Cc1nnsc1C(=O)N(C)[C@H]1C[N@H+](CCO)C[C@@H]1O ZINC001047300995 782455834 /nfs/dbraw/zinc/45/58/34/782455834.db2.gz UBPHBZIVEYGYOB-IUCAKERBSA-N 1 2 286.357 -1.044 20 0 CAADLO Cc1nnsc1C(=O)N(C)[C@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001047300995 782455835 /nfs/dbraw/zinc/45/58/35/782455835.db2.gz UBPHBZIVEYGYOB-IUCAKERBSA-N 1 2 286.357 -1.044 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2cccn2)C1 ZINC001047302275 782456236 /nfs/dbraw/zinc/45/62/36/782456236.db2.gz JVPQIJNLGDWQLC-VWYCJHECSA-N 1 2 295.343 -1.740 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2cccn2)C1 ZINC001047302275 782456244 /nfs/dbraw/zinc/45/62/44/782456244.db2.gz JVPQIJNLGDWQLC-VWYCJHECSA-N 1 2 295.343 -1.740 20 0 CAADLO CN(C(=O)Cn1cnnn1)[C@H]1C[N@H+](CCF)C[C@@H]1O ZINC001047296092 782456537 /nfs/dbraw/zinc/45/65/37/782456537.db2.gz WTLPOQCQRSHEEB-IUCAKERBSA-N 1 2 272.284 -1.854 20 0 CAADLO CN(C(=O)Cn1cnnn1)[C@H]1C[N@@H+](CCF)C[C@@H]1O ZINC001047296092 782456541 /nfs/dbraw/zinc/45/65/41/782456541.db2.gz WTLPOQCQRSHEEB-IUCAKERBSA-N 1 2 272.284 -1.854 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnn(C)c2)C1 ZINC001047300382 782456595 /nfs/dbraw/zinc/45/65/95/782456595.db2.gz XFFNCRAMVXDLSM-LSJOCFKGSA-N 1 2 295.343 -1.589 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnn(C)c2)C1 ZINC001047300382 782456599 /nfs/dbraw/zinc/45/65/99/782456599.db2.gz XFFNCRAMVXDLSM-LSJOCFKGSA-N 1 2 295.343 -1.589 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cn[nH]c2)C1 ZINC001047312240 782457729 /nfs/dbraw/zinc/45/77/29/782457729.db2.gz PZUMNDNKHYKNNZ-MIMYLULJSA-N 1 2 295.343 -1.339 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cn[nH]c2)C1 ZINC001047312240 782457734 /nfs/dbraw/zinc/45/77/34/782457734.db2.gz PZUMNDNKHYKNNZ-MIMYLULJSA-N 1 2 295.343 -1.339 20 0 CAADLO CN(C)C(=O)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cn[nH]c2)C1 ZINC001047311870 782458200 /nfs/dbraw/zinc/45/82/00/782458200.db2.gz GMTUKZBHQVYRKB-QWRGUYRKSA-N 1 2 295.343 -1.385 20 0 CAADLO CN(C)C(=O)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cn[nH]c2)C1 ZINC001047311870 782458206 /nfs/dbraw/zinc/45/82/06/782458206.db2.gz GMTUKZBHQVYRKB-QWRGUYRKSA-N 1 2 295.343 -1.385 20 0 CAADLO CNC(=O)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2cccn2)C1 ZINC001047303009 782459068 /nfs/dbraw/zinc/45/90/68/782459068.db2.gz VVMQCBLWYQBGSY-QWRGUYRKSA-N 1 2 295.343 -1.867 20 0 CAADLO CNC(=O)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2cccn2)C1 ZINC001047303009 782459074 /nfs/dbraw/zinc/45/90/74/782459074.db2.gz VVMQCBLWYQBGSY-QWRGUYRKSA-N 1 2 295.343 -1.867 20 0 CAADLO CN(C(=O)[C@H]1COCCO1)[C@H]1C[N@H+](CCF)C[C@@H]1O ZINC001047312485 782459281 /nfs/dbraw/zinc/45/92/81/782459281.db2.gz WIKRMZWNODKPTI-GARJFASQSA-N 1 2 276.308 -1.125 20 0 CAADLO CN(C(=O)[C@H]1COCCO1)[C@H]1C[N@@H+](CCF)C[C@@H]1O ZINC001047312485 782459282 /nfs/dbraw/zinc/45/92/82/782459282.db2.gz WIKRMZWNODKPTI-GARJFASQSA-N 1 2 276.308 -1.125 20 0 CAADLO CC(C)C(=O)N(C)[C@H]1C[N@@H+]([C@@H]2CCC(=O)NC2=O)C[C@@H]1O ZINC001047306141 782459331 /nfs/dbraw/zinc/45/93/31/782459331.db2.gz KWAQECNOLPBDOW-VWYCJHECSA-N 1 2 297.355 -1.049 20 0 CAADLO CC(C)C(=O)N(C)[C@H]1C[N@H+]([C@@H]2CCC(=O)NC2=O)C[C@@H]1O ZINC001047306141 782459334 /nfs/dbraw/zinc/45/93/34/782459334.db2.gz KWAQECNOLPBDOW-VWYCJHECSA-N 1 2 297.355 -1.049 20 0 CAADLO Cc1nc(C(=O)N(C)[C@H]2C[N@H+]([C@H](C)C(N)=O)C[C@@H]2O)c[nH]1 ZINC001047326807 782460323 /nfs/dbraw/zinc/46/03/23/782460323.db2.gz XGIZZNJLXSPLLP-GGVZMXCHSA-N 1 2 295.343 -1.291 20 0 CAADLO Cc1nc(C(=O)N(C)[C@H]2C[N@@H+]([C@H](C)C(N)=O)C[C@@H]2O)c[nH]1 ZINC001047326807 782460325 /nfs/dbraw/zinc/46/03/25/782460325.db2.gz XGIZZNJLXSPLLP-GGVZMXCHSA-N 1 2 295.343 -1.291 20 0 CAADLO CN(C(=O)[C@H]1CCC(=O)N1)[C@H]1C[N@H+](CCF)C[C@@H]1O ZINC001047326281 782460425 /nfs/dbraw/zinc/46/04/25/782460425.db2.gz RHBQVARDVGCQPJ-UTLUCORTSA-N 1 2 273.308 -1.262 20 0 CAADLO CN(C(=O)[C@H]1CCC(=O)N1)[C@H]1C[N@@H+](CCF)C[C@@H]1O ZINC001047326281 782460429 /nfs/dbraw/zinc/46/04/29/782460429.db2.gz RHBQVARDVGCQPJ-UTLUCORTSA-N 1 2 273.308 -1.262 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccnn2C)C1 ZINC001047316477 782460439 /nfs/dbraw/zinc/46/04/39/782460439.db2.gz YIAVOITUQSLEDC-LSJOCFKGSA-N 1 2 295.343 -1.589 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccnn2C)C1 ZINC001047316477 782460444 /nfs/dbraw/zinc/46/04/44/782460444.db2.gz YIAVOITUQSLEDC-LSJOCFKGSA-N 1 2 295.343 -1.589 20 0 CAADLO CN(C)C(=O)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCOC2)C1 ZINC001047322286 782461429 /nfs/dbraw/zinc/46/14/29/782461429.db2.gz NPDOUVLNIJIREW-WOPDTQHZSA-N 1 2 299.371 -1.385 20 0 CAADLO CN(C)C(=O)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCOC2)C1 ZINC001047322286 782461433 /nfs/dbraw/zinc/46/14/33/782461433.db2.gz NPDOUVLNIJIREW-WOPDTQHZSA-N 1 2 299.371 -1.385 20 0 CAADLO CNC(=O)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC(=O)N2)C1 ZINC001047323948 782461442 /nfs/dbraw/zinc/46/14/42/782461442.db2.gz CIUMJIYZOQYWCD-UTLUCORTSA-N 1 2 298.343 -2.486 20 0 CAADLO CNC(=O)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC(=O)N2)C1 ZINC001047323948 782461446 /nfs/dbraw/zinc/46/14/46/782461446.db2.gz CIUMJIYZOQYWCD-UTLUCORTSA-N 1 2 298.343 -2.486 20 0 CAADLO CN(C(=O)C1CC1)[C@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@@H]1O ZINC001047273913 782454757 /nfs/dbraw/zinc/45/47/57/782454757.db2.gz UZMHPWOFZQLDPX-DCAQKATOSA-N 1 2 267.329 -1.212 20 0 CAADLO CN(C(=O)C1CC1)[C@H]1C[N@H+]([C@H]2CCNC2=O)C[C@@H]1O ZINC001047273913 782454762 /nfs/dbraw/zinc/45/47/62/782454762.db2.gz UZMHPWOFZQLDPX-DCAQKATOSA-N 1 2 267.329 -1.212 20 0 CAADLO CCC(=O)N(C)[C@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@@H]1O ZINC001047270714 782454772 /nfs/dbraw/zinc/45/47/72/782454772.db2.gz QJJHREMUEAZPSZ-GUBZILKMSA-N 1 2 255.318 -1.212 20 0 CAADLO CCC(=O)N(C)[C@H]1C[N@H+]([C@H]2CCNC2=O)C[C@@H]1O ZINC001047270714 782454775 /nfs/dbraw/zinc/45/47/75/782454775.db2.gz QJJHREMUEAZPSZ-GUBZILKMSA-N 1 2 255.318 -1.212 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCO2)C1 ZINC001047354350 782465230 /nfs/dbraw/zinc/46/52/30/782465230.db2.gz CTAIWBMPIVMCMQ-BJDJZHNGSA-N 1 2 299.371 -1.197 20 0 CAADLO CNC(=O)[C@H](C)[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCO2)C1 ZINC001047354350 782465237 /nfs/dbraw/zinc/46/52/37/782465237.db2.gz CTAIWBMPIVMCMQ-BJDJZHNGSA-N 1 2 299.371 -1.197 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C2=CCOCC2)C1 ZINC001047358120 782465395 /nfs/dbraw/zinc/46/53/95/782465395.db2.gz PQKGTPKBYMFGMW-DLOVCJGASA-N 1 2 297.355 -1.290 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C2=CCOCC2)C1 ZINC001047358120 782465400 /nfs/dbraw/zinc/46/54/00/782465400.db2.gz PQKGTPKBYMFGMW-DLOVCJGASA-N 1 2 297.355 -1.290 20 0 CAADLO CN(C(=O)[C@H]1COCCN1C)[C@H]1C[N@H+](CCF)C[C@@H]1O ZINC001047356081 782465623 /nfs/dbraw/zinc/46/56/23/782465623.db2.gz QSKMKBJKRJADJQ-TUAOUCFPSA-N 1 2 289.351 -1.210 20 0 CAADLO CN(C(=O)[C@H]1COCCN1C)[C@H]1C[N@@H+](CCF)C[C@@H]1O ZINC001047356081 782465627 /nfs/dbraw/zinc/46/56/27/782465627.db2.gz QSKMKBJKRJADJQ-TUAOUCFPSA-N 1 2 289.351 -1.210 20 0 CAADLO CC[C@@H](C(N)=O)[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCO2)C1 ZINC001047355279 782466353 /nfs/dbraw/zinc/46/63/53/782466353.db2.gz YMGAVDDBCABXQD-BJDJZHNGSA-N 1 2 299.371 -1.067 20 0 CAADLO CC[C@@H](C(N)=O)[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCO2)C1 ZINC001047355279 782466356 /nfs/dbraw/zinc/46/63/56/782466356.db2.gz YMGAVDDBCABXQD-BJDJZHNGSA-N 1 2 299.371 -1.067 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2cc[nH]n2)C1 ZINC001047331621 782462846 /nfs/dbraw/zinc/46/28/46/782462846.db2.gz JAIQJPUXXUDGDU-LSJOCFKGSA-N 1 2 295.343 -1.671 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2cc[nH]n2)C1 ZINC001047331621 782462851 /nfs/dbraw/zinc/46/28/51/782462851.db2.gz JAIQJPUXXUDGDU-LSJOCFKGSA-N 1 2 295.343 -1.671 20 0 CAADLO CNC(=O)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@]23C[C@H]2COC3)C1 ZINC001047387029 782473562 /nfs/dbraw/zinc/47/35/62/782473562.db2.gz FTAIIZZJSNUPPA-RMIALFOJSA-N 1 2 297.355 -1.728 20 0 CAADLO CNC(=O)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@]23C[C@H]2COC3)C1 ZINC001047387029 782473564 /nfs/dbraw/zinc/47/35/64/782473564.db2.gz FTAIIZZJSNUPPA-RMIALFOJSA-N 1 2 297.355 -1.728 20 0 CAADLO CNC(=O)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC2(F)F)C1 ZINC001047375070 782469717 /nfs/dbraw/zinc/46/97/17/782469717.db2.gz XCUNUZLZHJXVPW-VGMNWLOBSA-N 1 2 291.298 -1.109 20 0 CAADLO CNC(=O)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC2(F)F)C1 ZINC001047375070 782469726 /nfs/dbraw/zinc/46/97/26/782469726.db2.gz XCUNUZLZHJXVPW-VGMNWLOBSA-N 1 2 291.298 -1.109 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ncc[nH]2)C1 ZINC001047376160 782469756 /nfs/dbraw/zinc/46/97/56/782469756.db2.gz VROKNAOKAJXNPQ-UTLUCORTSA-N 1 2 295.343 -1.339 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ncc[nH]2)C1 ZINC001047376160 782469761 /nfs/dbraw/zinc/46/97/61/782469761.db2.gz VROKNAOKAJXNPQ-UTLUCORTSA-N 1 2 295.343 -1.339 20 0 CAADLO CN(C(=O)Cn1ncnn1)[C@H]1C[N@H+](CCF)C[C@@H]1O ZINC001047381285 782469921 /nfs/dbraw/zinc/46/99/21/782469921.db2.gz JJHKRNFNAJKNCV-IUCAKERBSA-N 1 2 272.284 -1.854 20 0 CAADLO CN(C(=O)Cn1ncnn1)[C@H]1C[N@@H+](CCF)C[C@@H]1O ZINC001047381285 782469926 /nfs/dbraw/zinc/46/99/26/782469926.db2.gz JJHKRNFNAJKNCV-IUCAKERBSA-N 1 2 272.284 -1.854 20 0 CAADLO CNC(=O)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2nccn2)C1 ZINC001047398197 782471700 /nfs/dbraw/zinc/47/17/00/782471700.db2.gz WOUWENZTLYUIKF-UWVGGRQHSA-N 1 2 296.331 -2.472 20 0 CAADLO CNC(=O)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2nccn2)C1 ZINC001047398197 782471704 /nfs/dbraw/zinc/47/17/04/782471704.db2.gz WOUWENZTLYUIKF-UWVGGRQHSA-N 1 2 296.331 -2.472 20 0 CAADLO CN(C(=O)Cn1nccn1)[C@H]1C[N@H+](CCF)C[C@@H]1O ZINC001047397767 782472518 /nfs/dbraw/zinc/47/25/18/782472518.db2.gz IDRPXMSRZFQUHX-UWVGGRQHSA-N 1 2 271.296 -1.249 20 0 CAADLO CN(C(=O)Cn1nccn1)[C@H]1C[N@@H+](CCF)C[C@@H]1O ZINC001047397767 782472520 /nfs/dbraw/zinc/47/25/20/782472520.db2.gz IDRPXMSRZFQUHX-UWVGGRQHSA-N 1 2 271.296 -1.249 20 0 CAADLO CNC(=O)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc[nH]c2)C1 ZINC001047392117 782473096 /nfs/dbraw/zinc/47/30/96/782473096.db2.gz XYLZHNIELCAIFR-QWRGUYRKSA-N 1 2 280.328 -1.122 20 0 CAADLO CNC(=O)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc[nH]c2)C1 ZINC001047392117 782473101 /nfs/dbraw/zinc/47/31/01/782473101.db2.gz XYLZHNIELCAIFR-QWRGUYRKSA-N 1 2 280.328 -1.122 20 0 CAADLO CNC(=O)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCNC2=O)C1 ZINC001047482569 782479808 /nfs/dbraw/zinc/47/98/08/782479808.db2.gz CUDFOBRBONZTDD-UTLUCORTSA-N 1 2 298.343 -2.628 20 0 CAADLO CNC(=O)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCNC2=O)C1 ZINC001047482569 782479813 /nfs/dbraw/zinc/47/98/13/782479813.db2.gz CUDFOBRBONZTDD-UTLUCORTSA-N 1 2 298.343 -2.628 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cn[nH]n2)C1 ZINC001047440578 782478259 /nfs/dbraw/zinc/47/82/59/782478259.db2.gz NDRRZLCUHSIVCS-HGNGGELXSA-N 1 2 296.331 -1.944 20 0 CAADLO CNC(=O)[C@H](C)[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cn[nH]n2)C1 ZINC001047440578 782478263 /nfs/dbraw/zinc/47/82/63/782478263.db2.gz NDRRZLCUHSIVCS-HGNGGELXSA-N 1 2 296.331 -1.944 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cn[nH]n2)C1 ZINC001047440579 782478937 /nfs/dbraw/zinc/47/89/37/782478937.db2.gz NDRRZLCUHSIVCS-JEZHCXPESA-N 1 2 296.331 -1.944 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cn[nH]n2)C1 ZINC001047440579 782478943 /nfs/dbraw/zinc/47/89/43/782478943.db2.gz NDRRZLCUHSIVCS-JEZHCXPESA-N 1 2 296.331 -1.944 20 0 CAADLO Cc1cccnc1C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C(N)=O)C1 ZINC001047507530 782487137 /nfs/dbraw/zinc/48/71/37/782487137.db2.gz ZVCNFNMXSQBSCV-RYUDHWBXSA-N 1 2 292.339 -1.121 20 0 CAADLO Cc1cccnc1C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C(N)=O)C1 ZINC001047507530 782487142 /nfs/dbraw/zinc/48/71/42/782487142.db2.gz ZVCNFNMXSQBSCV-RYUDHWBXSA-N 1 2 292.339 -1.121 20 0 CAADLO CNC(=O)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2C[C@@H]2C)C1 ZINC001047490381 782484056 /nfs/dbraw/zinc/48/40/56/782484056.db2.gz SZAWFQVYUBKKFU-NAKRPEOUSA-N 1 2 269.345 -1.108 20 0 CAADLO CNC(=O)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2C[C@@H]2C)C1 ZINC001047490381 782484059 /nfs/dbraw/zinc/48/40/59/782484059.db2.gz SZAWFQVYUBKKFU-NAKRPEOUSA-N 1 2 269.345 -1.108 20 0 CAADLO CCc1nocc1C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C(N)=O)C1 ZINC001047507128 782484920 /nfs/dbraw/zinc/48/49/20/782484920.db2.gz OYYAAJAAYDFQGE-QWRGUYRKSA-N 1 2 296.327 -1.274 20 0 CAADLO CCc1nocc1C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C(N)=O)C1 ZINC001047507128 782484929 /nfs/dbraw/zinc/48/49/29/782484929.db2.gz OYYAAJAAYDFQGE-QWRGUYRKSA-N 1 2 296.327 -1.274 20 0 CAADLO CN(C(=O)c1c[nH]c(=O)cn1)[C@H]1C[N@H+](CCF)C[C@@H]1O ZINC001047505611 782485209 /nfs/dbraw/zinc/48/52/09/782485209.db2.gz PBYJTMIMIHIKGZ-UWVGGRQHSA-N 1 2 284.291 -1.144 20 0 CAADLO CN(C(=O)c1c[nH]c(=O)cn1)[C@H]1C[N@@H+](CCF)C[C@@H]1O ZINC001047505611 782485215 /nfs/dbraw/zinc/48/52/15/782485215.db2.gz PBYJTMIMIHIKGZ-UWVGGRQHSA-N 1 2 284.291 -1.144 20 0 CAADLO CNC(=O)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CNC(=O)N2)C1 ZINC001047507040 782485576 /nfs/dbraw/zinc/48/55/76/782485576.db2.gz KAOUNTOKPDOKOT-VGMNWLOBSA-N 1 2 299.331 -3.083 20 0 CAADLO CNC(=O)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CNC(=O)N2)C1 ZINC001047507040 782485581 /nfs/dbraw/zinc/48/55/81/782485581.db2.gz KAOUNTOKPDOKOT-VGMNWLOBSA-N 1 2 299.331 -3.083 20 0 CAADLO Cc1ncccc1C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C(N)=O)C1 ZINC001047506862 782485628 /nfs/dbraw/zinc/48/56/28/782485628.db2.gz IATCHMSNNJLHQQ-RYUDHWBXSA-N 1 2 292.339 -1.121 20 0 CAADLO Cc1ncccc1C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C(N)=O)C1 ZINC001047506862 782485631 /nfs/dbraw/zinc/48/56/31/782485631.db2.gz IATCHMSNNJLHQQ-RYUDHWBXSA-N 1 2 292.339 -1.121 20 0 CAADLO CNC(=O)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001047507039 782485855 /nfs/dbraw/zinc/48/58/55/782485855.db2.gz KAOUNTOKPDOKOT-CIUDSAMLSA-N 1 2 299.331 -3.083 20 0 CAADLO CNC(=O)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001047507039 782485859 /nfs/dbraw/zinc/48/58/59/782485859.db2.gz KAOUNTOKPDOKOT-CIUDSAMLSA-N 1 2 299.331 -3.083 20 0 CAADLO CN(C(=O)[C@H]1CNC(=O)N1)[C@H]1C[N@H+](CCF)C[C@@H]1O ZINC001047506348 782485939 /nfs/dbraw/zinc/48/59/39/782485939.db2.gz AZMHGIBVZDLJLK-VGMNWLOBSA-N 1 2 274.296 -1.859 20 0 CAADLO CN(C(=O)[C@H]1CNC(=O)N1)[C@H]1C[N@@H+](CCF)C[C@@H]1O ZINC001047506348 782485944 /nfs/dbraw/zinc/48/59/44/782485944.db2.gz AZMHGIBVZDLJLK-VGMNWLOBSA-N 1 2 274.296 -1.859 20 0 CAADLO C[C@@H](C(=O)NC1CC1)[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C(N)=O)C1 ZINC001047511031 782486555 /nfs/dbraw/zinc/48/65/55/782486555.db2.gz KNDRASVFHRXDIG-HGNGGELXSA-N 1 2 298.343 -2.358 20 0 CAADLO C[C@@H](C(=O)NC1CC1)[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C(N)=O)C1 ZINC001047511031 782486566 /nfs/dbraw/zinc/48/65/66/782486566.db2.gz KNDRASVFHRXDIG-HGNGGELXSA-N 1 2 298.343 -2.358 20 0 CAADLO CNC(=O)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2cnoc2)C1 ZINC001047498443 782482125 /nfs/dbraw/zinc/48/21/25/782482125.db2.gz WELXMLLNCPGMSE-QWRGUYRKSA-N 1 2 296.327 -1.533 20 0 CAADLO CNC(=O)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2cnoc2)C1 ZINC001047498443 782482131 /nfs/dbraw/zinc/48/21/31/782482131.db2.gz WELXMLLNCPGMSE-QWRGUYRKSA-N 1 2 296.327 -1.533 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001047496484 782482310 /nfs/dbraw/zinc/48/23/10/782482310.db2.gz FJPDNLUEHHRAGZ-HAVMIZHYSA-N 1 2 297.355 -1.744 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001047496484 782482318 /nfs/dbraw/zinc/48/23/18/782482318.db2.gz FJPDNLUEHHRAGZ-HAVMIZHYSA-N 1 2 297.355 -1.744 20 0 CAADLO CN(C(=O)[C@H]1CCN(C)C1=O)[C@H]1C[N@H+](CCF)C[C@@H]1O ZINC001047493901 782482464 /nfs/dbraw/zinc/48/24/64/782482464.db2.gz AOUBMJHSCDACCW-DCAQKATOSA-N 1 2 287.335 -1.062 20 0 CAADLO CN(C(=O)[C@H]1CCN(C)C1=O)[C@H]1C[N@@H+](CCF)C[C@@H]1O ZINC001047493901 782482468 /nfs/dbraw/zinc/48/24/68/782482468.db2.gz AOUBMJHSCDACCW-DCAQKATOSA-N 1 2 287.335 -1.062 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001047496481 782482645 /nfs/dbraw/zinc/48/26/45/782482645.db2.gz FJPDNLUEHHRAGZ-ANNWIZPPSA-N 1 2 297.355 -1.744 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001047496481 782482651 /nfs/dbraw/zinc/48/26/51/782482651.db2.gz FJPDNLUEHHRAGZ-ANNWIZPPSA-N 1 2 297.355 -1.744 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[C@H]2CCOC2)C1 ZINC001047514494 782489309 /nfs/dbraw/zinc/48/93/09/782489309.db2.gz IITVPFUPQPRLRT-USZNOCQGSA-N 1 2 299.371 -1.210 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[C@H]2CCOC2)C1 ZINC001047514494 782489318 /nfs/dbraw/zinc/48/93/18/782489318.db2.gz IITVPFUPQPRLRT-USZNOCQGSA-N 1 2 299.371 -1.210 20 0 CAADLO CCN1CC[C@@H]([N@@H+]2C[C@H](O)[C@@H](N(C)C(=O)C(N)=O)C2)C1=O ZINC001047511275 782488421 /nfs/dbraw/zinc/48/84/21/782488421.db2.gz SQADFKHKSUXVKX-UTLUCORTSA-N 1 2 298.343 -2.404 20 0 CAADLO CCN1CC[C@@H]([N@H+]2C[C@H](O)[C@@H](N(C)C(=O)C(N)=O)C2)C1=O ZINC001047511275 782488425 /nfs/dbraw/zinc/48/84/25/782488425.db2.gz SQADFKHKSUXVKX-UTLUCORTSA-N 1 2 298.343 -2.404 20 0 CAADLO CN(C(=O)C(N)=O)[C@H]1C[N@@H+]([C@H]2CCN(C)C2=O)C[C@@H]1O ZINC001047511192 782488604 /nfs/dbraw/zinc/48/86/04/782488604.db2.gz QACDLASNJTXDCY-CIUDSAMLSA-N 1 2 284.316 -2.794 20 0 CAADLO CN(C(=O)C(N)=O)[C@H]1C[N@H+]([C@H]2CCN(C)C2=O)C[C@@H]1O ZINC001047511192 782488610 /nfs/dbraw/zinc/48/86/10/782488610.db2.gz QACDLASNJTXDCY-CIUDSAMLSA-N 1 2 284.316 -2.794 20 0 CAADLO CN(C(=O)C(N)=O)[C@H]1C[N@H+](C/C=C\Cl)C[C@@H]1O ZINC001047511171 782488630 /nfs/dbraw/zinc/48/86/30/782488630.db2.gz PNQGOEHMNIHDPU-YWUCGTOHSA-N 1 2 261.709 -1.272 20 0 CAADLO CN(C(=O)C(N)=O)[C@H]1C[N@@H+](C/C=C\Cl)C[C@@H]1O ZINC001047511171 782488640 /nfs/dbraw/zinc/48/86/40/782488640.db2.gz PNQGOEHMNIHDPU-YWUCGTOHSA-N 1 2 261.709 -1.272 20 0 CAADLO Cc1ncoc1C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C(N)=O)C1 ZINC001047511196 782489745 /nfs/dbraw/zinc/48/97/45/782489745.db2.gz QCJMTNSDPRPQRH-IUCAKERBSA-N 1 2 282.300 -1.528 20 0 CAADLO Cc1ncoc1C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C(N)=O)C1 ZINC001047511196 782489747 /nfs/dbraw/zinc/48/97/47/782489747.db2.gz QCJMTNSDPRPQRH-IUCAKERBSA-N 1 2 282.300 -1.528 20 0 CAADLO CC[C@@H](C(N)=O)[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCOC2)C1 ZINC001047585702 782496125 /nfs/dbraw/zinc/49/61/25/782496125.db2.gz HVLYNUIIRDCXJL-RHYQMDGZSA-N 1 2 299.371 -1.210 20 0 CAADLO CC[C@@H](C(N)=O)[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCOC2)C1 ZINC001047585702 782496129 /nfs/dbraw/zinc/49/61/29/782496129.db2.gz HVLYNUIIRDCXJL-RHYQMDGZSA-N 1 2 299.371 -1.210 20 0 CAADLO CNC(=O)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCC(=O)N2)C1 ZINC001047602187 782496542 /nfs/dbraw/zinc/49/65/42/782496542.db2.gz CIUMJIYZOQYWCD-GUBZILKMSA-N 1 2 298.343 -2.486 20 0 CAADLO CNC(=O)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCC(=O)N2)C1 ZINC001047602187 782496544 /nfs/dbraw/zinc/49/65/44/782496544.db2.gz CIUMJIYZOQYWCD-GUBZILKMSA-N 1 2 298.343 -2.486 20 0 CAADLO C[C@H](O)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2ncn[nH]2)C1 ZINC001047590171 782496977 /nfs/dbraw/zinc/49/69/77/782496977.db2.gz ZGNMJJXHBAJAML-GUBZILKMSA-N 1 2 283.332 -1.769 20 0 CAADLO C[C@H](O)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2ncn[nH]2)C1 ZINC001047590171 782496982 /nfs/dbraw/zinc/49/69/82/782496982.db2.gz ZGNMJJXHBAJAML-GUBZILKMSA-N 1 2 283.332 -1.769 20 0 CAADLO CN(C(=O)Cn1cncn1)[C@H]1C[N@H+](CCF)C[C@@H]1O ZINC001047620667 782501505 /nfs/dbraw/zinc/50/15/05/782501505.db2.gz SQOMQLWFPHAVGO-UWVGGRQHSA-N 1 2 271.296 -1.249 20 0 CAADLO CN(C(=O)Cn1cncn1)[C@H]1C[N@@H+](CCF)C[C@@H]1O ZINC001047620667 782501514 /nfs/dbraw/zinc/50/15/14/782501514.db2.gz SQOMQLWFPHAVGO-UWVGGRQHSA-N 1 2 271.296 -1.249 20 0 CAADLO CN(C(=O)[C@H]1CCCO1)[C@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@@H]1O ZINC001047640007 782500652 /nfs/dbraw/zinc/50/06/52/782500652.db2.gz WZZCSQYVHCRTLV-NOOOWODRSA-N 1 2 297.355 -1.443 20 0 CAADLO CN(C(=O)[C@H]1CCCO1)[C@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@@H]1O ZINC001047640007 782500657 /nfs/dbraw/zinc/50/06/57/782500657.db2.gz WZZCSQYVHCRTLV-NOOOWODRSA-N 1 2 297.355 -1.443 20 0 CAADLO Cc1nc[nH]c1C(=O)N(C)[C@H]1C[N@H+]([C@@H](C)C(N)=O)C[C@@H]1O ZINC001047652640 782502589 /nfs/dbraw/zinc/50/25/89/782502589.db2.gz WIHXBACXJLXTJQ-GUBZILKMSA-N 1 2 295.343 -1.291 20 0 CAADLO Cc1nc[nH]c1C(=O)N(C)[C@H]1C[N@@H+]([C@@H](C)C(N)=O)C[C@@H]1O ZINC001047652640 782502596 /nfs/dbraw/zinc/50/25/96/782502596.db2.gz WIHXBACXJLXTJQ-GUBZILKMSA-N 1 2 295.343 -1.291 20 0 CAADLO COCC(=O)N(C)[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1O ZINC001048032609 782504911 /nfs/dbraw/zinc/50/49/11/782504911.db2.gz YDCBEIXARDAXAB-UWVGGRQHSA-N 1 2 296.327 -1.371 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1nc[nH]n1)C2 ZINC001096308429 782507982 /nfs/dbraw/zinc/50/79/82/782507982.db2.gz JTULABYKBUXOLC-IMSYWVGJSA-N 1 2 292.343 -1.058 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1nc[nH]n1)C2 ZINC001096308429 782507988 /nfs/dbraw/zinc/50/79/88/782507988.db2.gz JTULABYKBUXOLC-IMSYWVGJSA-N 1 2 292.343 -1.058 20 0 CAADLO NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC(=O)N1)C2 ZINC001096380427 782510029 /nfs/dbraw/zinc/51/00/29/782510029.db2.gz LSYHMMGOVFKDBZ-KATARQTJSA-N 1 2 280.328 -1.528 20 0 CAADLO NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC(=O)N1)C2 ZINC001096380427 782510037 /nfs/dbraw/zinc/51/00/37/782510037.db2.gz LSYHMMGOVFKDBZ-KATARQTJSA-N 1 2 280.328 -1.528 20 0 CAADLO Cn1cnnc1C[N@H+]1C[C@H]2CN(C(=O)CC(N)=O)C[C@H]2C1 ZINC001048732730 782515253 /nfs/dbraw/zinc/51/52/53/782515253.db2.gz MKIYRFCFNIMLIP-AOOOYVTPSA-N 1 2 292.343 -1.419 20 0 CAADLO Cn1cnnc1C[N@@H+]1C[C@H]2CN(C(=O)CC(N)=O)C[C@H]2C1 ZINC001048732730 782515261 /nfs/dbraw/zinc/51/52/61/782515261.db2.gz MKIYRFCFNIMLIP-AOOOYVTPSA-N 1 2 292.343 -1.419 20 0 CAADLO Cc1nnc(C[N@H+]2C[C@H]3CN(C(=O)CC(N)=O)C[C@H]3C2)[nH]1 ZINC001048733939 782515554 /nfs/dbraw/zinc/51/55/54/782515554.db2.gz LXDDLNXVDADJIG-AOOOYVTPSA-N 1 2 292.343 -1.121 20 0 CAADLO Cc1nnc(C[N@@H+]2C[C@H]3CN(C(=O)CC(N)=O)C[C@H]3C2)[nH]1 ZINC001048733939 782515564 /nfs/dbraw/zinc/51/55/64/782515564.db2.gz LXDDLNXVDADJIG-AOOOYVTPSA-N 1 2 292.343 -1.121 20 0 CAADLO Cc1nnc(C[N@H+]2C[C@H]3CN(C(=O)C(N)=O)C[C@H]3C2)[nH]1 ZINC001049021913 782526979 /nfs/dbraw/zinc/52/69/79/782526979.db2.gz AVXLUNNUPHJLGD-DTORHVGOSA-N 1 2 278.316 -1.511 20 0 CAADLO Cc1nnc(C[N@@H+]2C[C@H]3CN(C(=O)C(N)=O)C[C@H]3C2)[nH]1 ZINC001049021913 782526986 /nfs/dbraw/zinc/52/69/86/782526986.db2.gz AVXLUNNUPHJLGD-DTORHVGOSA-N 1 2 278.316 -1.511 20 0 CAADLO O=C(N[C@@H]1CCC[N@@H+](CCO)C1)[C@H]1CCS(=O)(=O)C1 ZINC000384374111 782528384 /nfs/dbraw/zinc/52/83/84/782528384.db2.gz JGIPLFISQNZPCL-WDEREUQCSA-N 1 2 290.385 -1.006 20 0 CAADLO O=C(N[C@@H]1CCC[N@H+](CCO)C1)[C@H]1CCS(=O)(=O)C1 ZINC000384374111 782528393 /nfs/dbraw/zinc/52/83/93/782528393.db2.gz JGIPLFISQNZPCL-WDEREUQCSA-N 1 2 290.385 -1.006 20 0 CAADLO NC(=O)C[N@H+]1C[C@H]2CN(C(=O)CCc3cnn[nH]3)C[C@H]2C1 ZINC001049068051 782528835 /nfs/dbraw/zinc/52/88/35/782528835.db2.gz ISVDGEOAPXKAOB-AOOOYVTPSA-N 1 2 292.343 -1.387 20 0 CAADLO NC(=O)C[N@@H+]1C[C@H]2CN(C(=O)CCc3cnn[nH]3)C[C@H]2C1 ZINC001049068051 782528842 /nfs/dbraw/zinc/52/88/42/782528842.db2.gz ISVDGEOAPXKAOB-AOOOYVTPSA-N 1 2 292.343 -1.387 20 0 CAADLO CNC(=O)C[N@H+]1C[C@H]2CN(C(=O)Cc3ncn[nH]3)C[C@H]2C1 ZINC001049161664 782529703 /nfs/dbraw/zinc/52/97/03/782529703.db2.gz CEBGEHOYCILWIX-AOOOYVTPSA-N 1 2 292.343 -1.517 20 0 CAADLO CNC(=O)C[N@@H+]1C[C@H]2CN(C(=O)Cc3ncn[nH]3)C[C@H]2C1 ZINC001049161664 782529718 /nfs/dbraw/zinc/52/97/18/782529718.db2.gz CEBGEHOYCILWIX-AOOOYVTPSA-N 1 2 292.343 -1.517 20 0 CAADLO CNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1cncn1)C2 ZINC001096495708 782531116 /nfs/dbraw/zinc/53/11/16/782531116.db2.gz XWLPWBHXEXRRJE-VWYCJHECSA-N 1 2 292.343 -1.254 20 0 CAADLO CNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1cncn1)C2 ZINC001096495708 782531120 /nfs/dbraw/zinc/53/11/20/782531120.db2.gz XWLPWBHXEXRRJE-VWYCJHECSA-N 1 2 292.343 -1.254 20 0 CAADLO Cn1nnc(C(=O)N2CCC[C@H]3[C@H]2CC[N@@H+]3CC(N)=O)n1 ZINC001049652161 782535794 /nfs/dbraw/zinc/53/57/94/782535794.db2.gz RGHOIBAAOINMKZ-DTWKUNHWSA-N 1 2 293.331 -1.626 20 0 CAADLO Cn1nnc(C(=O)N2CCC[C@H]3[C@H]2CC[N@H+]3CC(N)=O)n1 ZINC001049652161 782535804 /nfs/dbraw/zinc/53/58/04/782535804.db2.gz RGHOIBAAOINMKZ-DTWKUNHWSA-N 1 2 293.331 -1.626 20 0 CAADLO CCOC(=O)C[C@H](O)C[N@@H+]1CCN2C(=O)COC[C@@H]2C1 ZINC001253799054 782536553 /nfs/dbraw/zinc/53/65/53/782536553.db2.gz PLJLCSYZGZGIHZ-QWRGUYRKSA-N 1 2 286.328 -1.157 20 0 CAADLO CCOC(=O)C[C@H](O)C[N@H+]1CCN2C(=O)COC[C@@H]2C1 ZINC001253799054 782536559 /nfs/dbraw/zinc/53/65/59/782536559.db2.gz PLJLCSYZGZGIHZ-QWRGUYRKSA-N 1 2 286.328 -1.157 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1cn[nH]n1 ZINC001049570799 782536672 /nfs/dbraw/zinc/53/66/72/782536672.db2.gz PRQRVJTYWGRZRU-UWVGGRQHSA-N 1 2 278.316 -1.031 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1cn[nH]n1 ZINC001049570799 782536679 /nfs/dbraw/zinc/53/66/79/782536679.db2.gz PRQRVJTYWGRZRU-UWVGGRQHSA-N 1 2 278.316 -1.031 20 0 CAADLO Cn1nnc(C(=O)N2CCC[C@@H]3[C@H]2CC[N@@H+]3CC(N)=O)n1 ZINC001049652163 782536692 /nfs/dbraw/zinc/53/66/92/782536692.db2.gz RGHOIBAAOINMKZ-RKDXNWHRSA-N 1 2 293.331 -1.626 20 0 CAADLO Cn1nnc(C(=O)N2CCC[C@@H]3[C@H]2CC[N@H+]3CC(N)=O)n1 ZINC001049652163 782536699 /nfs/dbraw/zinc/53/66/99/782536699.db2.gz RGHOIBAAOINMKZ-RKDXNWHRSA-N 1 2 293.331 -1.626 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cn[nH]n1 ZINC001049570800 782537321 /nfs/dbraw/zinc/53/73/21/782537321.db2.gz PRQRVJTYWGRZRU-VHSXEESVSA-N 1 2 278.316 -1.031 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cn[nH]n1 ZINC001049570800 782537327 /nfs/dbraw/zinc/53/73/27/782537327.db2.gz PRQRVJTYWGRZRU-VHSXEESVSA-N 1 2 278.316 -1.031 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C(N)=O ZINC001049683672 782539147 /nfs/dbraw/zinc/53/91/47/782539147.db2.gz PXAKWYZFSDOBQH-SFYZADRCSA-N 1 2 254.290 -1.978 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C(N)=O ZINC001049683672 782539152 /nfs/dbraw/zinc/53/91/52/782539152.db2.gz PXAKWYZFSDOBQH-SFYZADRCSA-N 1 2 254.290 -1.978 20 0 CAADLO Cn1nncc1C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C(N)=O ZINC001049692999 782539482 /nfs/dbraw/zinc/53/94/82/782539482.db2.gz WBKHRJOOFZSQHA-WDEREUQCSA-N 1 2 292.343 -1.134 20 0 CAADLO Cn1nncc1C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C(N)=O ZINC001049692999 782539489 /nfs/dbraw/zinc/53/94/89/782539489.db2.gz WBKHRJOOFZSQHA-WDEREUQCSA-N 1 2 292.343 -1.134 20 0 CAADLO CS(=O)(=O)CC(=O)N1CCC[C@H]2C[N@H+](CCO)C[C@H]21 ZINC001049988723 782541109 /nfs/dbraw/zinc/54/11/09/782541109.db2.gz XLQFMXMUEFAOHB-WDEREUQCSA-N 1 2 290.385 -1.054 20 0 CAADLO CS(=O)(=O)CC(=O)N1CCC[C@H]2C[N@@H+](CCO)C[C@H]21 ZINC001049988723 782541116 /nfs/dbraw/zinc/54/11/16/782541116.db2.gz XLQFMXMUEFAOHB-WDEREUQCSA-N 1 2 290.385 -1.054 20 0 CAADLO NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCNC(=O)C1)C2 ZINC001096948070 782542752 /nfs/dbraw/zinc/54/27/52/782542752.db2.gz SYKIEOJLKHOAIS-DBIOUOCHSA-N 1 2 294.355 -1.281 20 0 CAADLO NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCNC(=O)C1)C2 ZINC001096948070 782542759 /nfs/dbraw/zinc/54/27/59/782542759.db2.gz SYKIEOJLKHOAIS-DBIOUOCHSA-N 1 2 294.355 -1.281 20 0 CAADLO CNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1COCCO1)C2 ZINC001096825386 782542422 /nfs/dbraw/zinc/54/24/22/782542422.db2.gz BLGUHZPCYCCQTM-WISYIIOYSA-N 1 2 297.355 -1.131 20 0 CAADLO CNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1COCCO1)C2 ZINC001096825386 782542428 /nfs/dbraw/zinc/54/24/28/782542428.db2.gz BLGUHZPCYCCQTM-WISYIIOYSA-N 1 2 297.355 -1.131 20 0 CAADLO Cc1nc(NCCN(CCO)C(=O)CC(N)=O)cc[nH+]1 ZINC001111440969 782543380 /nfs/dbraw/zinc/54/33/80/782543380.db2.gz OKLYZBDLNWIJBB-UHFFFAOYSA-N 1 2 281.316 -1.107 20 0 CAADLO NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1cnnn1)C2 ZINC001096777948 782543711 /nfs/dbraw/zinc/54/37/11/782543711.db2.gz BCJUCKGTSZQEPZ-HLTSFMKQSA-N 1 2 279.304 -2.120 20 0 CAADLO NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1cnnn1)C2 ZINC001096777948 782543716 /nfs/dbraw/zinc/54/37/16/782543716.db2.gz BCJUCKGTSZQEPZ-HLTSFMKQSA-N 1 2 279.304 -2.120 20 0 CAADLO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCO)C1CS(=O)(=O)C1 ZINC001097133154 782544931 /nfs/dbraw/zinc/54/49/31/782544931.db2.gz CNIQLASPVDFIRW-MXWKQRLJSA-N 1 2 288.369 -1.255 20 0 CAADLO NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1COC(=O)N1)C2 ZINC001097026673 782544800 /nfs/dbraw/zinc/54/48/00/782544800.db2.gz PJZMQSGKQKHDRV-BGZDPUMWSA-N 1 2 282.300 -1.698 20 0 CAADLO NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1COC(=O)N1)C2 ZINC001097026673 782544806 /nfs/dbraw/zinc/54/48/06/782544806.db2.gz PJZMQSGKQKHDRV-BGZDPUMWSA-N 1 2 282.300 -1.698 20 0 CAADLO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCO)C1CS(=O)(=O)C1 ZINC001097133154 782544923 /nfs/dbraw/zinc/54/49/23/782544923.db2.gz CNIQLASPVDFIRW-MXWKQRLJSA-N 1 2 288.369 -1.255 20 0 CAADLO CNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ncn(C)n1)C2 ZINC001097036799 782545665 /nfs/dbraw/zinc/54/56/65/782545665.db2.gz RJCWMSZYDIHSGS-BBBLOLIVSA-N 1 2 292.343 -1.104 20 0 CAADLO NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H]1CCNC1=O)C2 ZINC001097213291 782545942 /nfs/dbraw/zinc/54/59/42/782545942.db2.gz JWIXNJPHKKMKLR-DBIOUOCHSA-N 1 2 294.355 -1.281 20 0 CAADLO NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H]1CCNC1=O)C2 ZINC001097213291 782545952 /nfs/dbraw/zinc/54/59/52/782545952.db2.gz JWIXNJPHKKMKLR-DBIOUOCHSA-N 1 2 294.355 -1.281 20 0 CAADLO CNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ncn(C)n1)C2 ZINC001097036799 782545672 /nfs/dbraw/zinc/54/56/72/782545672.db2.gz RJCWMSZYDIHSGS-BBBLOLIVSA-N 1 2 292.343 -1.104 20 0 CAADLO NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CN1CN=NC1=O)C2 ZINC001096983180 782545734 /nfs/dbraw/zinc/54/57/34/782545734.db2.gz BPEVFUJMLWEDSO-HLTSFMKQSA-N 1 2 294.315 -1.810 20 0 CAADLO NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CN1CN=NC1=O)C2 ZINC001096983180 782545738 /nfs/dbraw/zinc/54/57/38/782545738.db2.gz BPEVFUJMLWEDSO-HLTSFMKQSA-N 1 2 294.315 -1.810 20 0 CAADLO NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC(=O)NC1)C2 ZINC001097399636 782547505 /nfs/dbraw/zinc/54/75/05/782547505.db2.gz DQPXNJSEYRQXMB-DBIOUOCHSA-N 1 2 294.355 -1.281 20 0 CAADLO NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC(=O)NC1)C2 ZINC001097399636 782547513 /nfs/dbraw/zinc/54/75/13/782547513.db2.gz DQPXNJSEYRQXMB-DBIOUOCHSA-N 1 2 294.355 -1.281 20 0 CAADLO NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCNC1=O)C2 ZINC001097264362 782547878 /nfs/dbraw/zinc/54/78/78/782547878.db2.gz REPCJOGQKSLCPQ-DBIOUOCHSA-N 1 2 294.355 -1.281 20 0 CAADLO NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCNC1=O)C2 ZINC001097264362 782547879 /nfs/dbraw/zinc/54/78/79/782547879.db2.gz REPCJOGQKSLCPQ-DBIOUOCHSA-N 1 2 294.355 -1.281 20 0 CAADLO NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCNC1=O)C2 ZINC001097640821 782547955 /nfs/dbraw/zinc/54/79/55/782547955.db2.gz UKZJFDVJPFGVJK-KYXWUPHJSA-N 1 2 280.328 -1.671 20 0 CAADLO NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCNC1=O)C2 ZINC001097640821 782547961 /nfs/dbraw/zinc/54/79/61/782547961.db2.gz UKZJFDVJPFGVJK-KYXWUPHJSA-N 1 2 280.328 -1.671 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1nnn(C)n1)C2 ZINC001097659100 782548472 /nfs/dbraw/zinc/54/84/72/782548472.db2.gz IPUKTSGRADKHRY-KDXUFGMBSA-N 1 2 293.331 -1.581 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1nnn(C)n1)C2 ZINC001097659100 782548479 /nfs/dbraw/zinc/54/84/79/782548479.db2.gz IPUKTSGRADKHRY-KDXUFGMBSA-N 1 2 293.331 -1.581 20 0 CAADLO Cn1c(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(N)=O)c[nH]c1=O ZINC001097645359 782548323 /nfs/dbraw/zinc/54/83/23/782548323.db2.gz CTMLLKZTXFZHGV-HLTSFMKQSA-N 1 2 293.327 -1.054 20 0 CAADLO Cn1c(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(N)=O)c[nH]c1=O ZINC001097645359 782548330 /nfs/dbraw/zinc/54/83/30/782548330.db2.gz CTMLLKZTXFZHGV-HLTSFMKQSA-N 1 2 293.327 -1.054 20 0 CAADLO CNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(N)=O)C2 ZINC001097763018 782549258 /nfs/dbraw/zinc/54/92/58/782549258.db2.gz GRAQROVOXUKBLO-PRJMDXOYSA-N 1 2 254.290 -2.061 20 0 CAADLO CNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(N)=O)C2 ZINC001097763018 782549261 /nfs/dbraw/zinc/54/92/61/782549261.db2.gz GRAQROVOXUKBLO-PRJMDXOYSA-N 1 2 254.290 -2.061 20 0 CAADLO CN1CC[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(N)=O)C1=O ZINC001097672773 782550113 /nfs/dbraw/zinc/55/01/13/782550113.db2.gz COTKTZZNDNOIGJ-YTWAJWBKSA-N 1 2 294.355 -1.329 20 0 CAADLO CN1CC[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(N)=O)C1=O ZINC001097672773 782550116 /nfs/dbraw/zinc/55/01/16/782550116.db2.gz COTKTZZNDNOIGJ-YTWAJWBKSA-N 1 2 294.355 -1.329 20 0 CAADLO CN1CC[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(N)=O)C1=O ZINC001097672772 782550299 /nfs/dbraw/zinc/55/02/99/782550299.db2.gz COTKTZZNDNOIGJ-DBIOUOCHSA-N 1 2 294.355 -1.329 20 0 CAADLO CN1CC[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(N)=O)C1=O ZINC001097672772 782550309 /nfs/dbraw/zinc/55/03/09/782550309.db2.gz COTKTZZNDNOIGJ-DBIOUOCHSA-N 1 2 294.355 -1.329 20 0 CAADLO CCN1CC[C@H]([N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)C(N)=O)C3)C1=O ZINC001097766213 782551834 /nfs/dbraw/zinc/55/18/34/782551834.db2.gz LCNYEEJUEOWLOG-ZNSHCXBVSA-N 1 2 294.355 -1.186 20 0 CAADLO CCN1CC[C@H]([N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)C(N)=O)C3)C1=O ZINC001097766213 782551843 /nfs/dbraw/zinc/55/18/43/782551843.db2.gz LCNYEEJUEOWLOG-ZNSHCXBVSA-N 1 2 294.355 -1.186 20 0 CAADLO CNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[C@H]1C(N)=O)C2 ZINC001097860775 782551869 /nfs/dbraw/zinc/55/18/69/782551869.db2.gz TWYAWAQQDJBRAU-NZFPMDFQSA-N 1 2 294.355 -1.425 20 0 CAADLO CNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[C@H]1C(N)=O)C2 ZINC001097860775 782551876 /nfs/dbraw/zinc/55/18/76/782551876.db2.gz TWYAWAQQDJBRAU-NZFPMDFQSA-N 1 2 294.355 -1.425 20 0 CAADLO C[C@@H](C(=O)N(C)C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(N)=O)C2 ZINC001097767251 782552043 /nfs/dbraw/zinc/55/20/43/782552043.db2.gz ZVPWTNBRAUTLFK-JLIMGVALSA-N 1 2 282.344 -1.330 20 0 CAADLO C[C@@H](C(=O)N(C)C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(N)=O)C2 ZINC001097767251 782552054 /nfs/dbraw/zinc/55/20/54/782552054.db2.gz ZVPWTNBRAUTLFK-JLIMGVALSA-N 1 2 282.344 -1.330 20 0 CAADLO Cn1ncc(C[N@@H+]2CCC[C@H](NC(=O)C(N)=O)CC2)n1 ZINC001052672664 782552196 /nfs/dbraw/zinc/55/21/96/782552196.db2.gz UCEPJFZHZNVNGS-VIFPVBQESA-N 1 2 280.332 -1.229 20 0 CAADLO Cn1ncc(C[N@H+]2CCC[C@H](NC(=O)C(N)=O)CC2)n1 ZINC001052672664 782552204 /nfs/dbraw/zinc/55/22/04/782552204.db2.gz UCEPJFZHZNVNGS-VIFPVBQESA-N 1 2 280.332 -1.229 20 0 CAADLO Cn1nnnc1C[N@@H+]1CCC[C@@H](NC(=O)C(N)=O)CC1 ZINC001052672414 782552827 /nfs/dbraw/zinc/55/28/27/782552827.db2.gz QCUUBMGBVZLGFK-MRVPVSSYSA-N 1 2 281.320 -1.834 20 0 CAADLO Cn1nnnc1C[N@H+]1CCC[C@@H](NC(=O)C(N)=O)CC1 ZINC001052672414 782552847 /nfs/dbraw/zinc/55/28/47/782552847.db2.gz QCUUBMGBVZLGFK-MRVPVSSYSA-N 1 2 281.320 -1.834 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(N)=O)C2 ZINC001097766368 782552863 /nfs/dbraw/zinc/55/28/63/782552863.db2.gz NQVHZUIKIHXFGB-BGZDPUMWSA-N 1 2 268.317 -1.672 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(N)=O)C2 ZINC001097766368 782552873 /nfs/dbraw/zinc/55/28/73/782552873.db2.gz NQVHZUIKIHXFGB-BGZDPUMWSA-N 1 2 268.317 -1.672 20 0 CAADLO C[C@@H](c1nnnn1C)[N@@H+]1CCC[C@@H](NC(=O)C(N)=O)CC1 ZINC001052673767 782554652 /nfs/dbraw/zinc/55/46/52/782554652.db2.gz CNRLGMBHMSRBTG-DTWKUNHWSA-N 1 2 295.347 -1.273 20 0 CAADLO C[C@@H](c1nnnn1C)[N@H+]1CCC[C@@H](NC(=O)C(N)=O)CC1 ZINC001052673767 782554655 /nfs/dbraw/zinc/55/46/55/782554655.db2.gz CNRLGMBHMSRBTG-DTWKUNHWSA-N 1 2 295.347 -1.273 20 0 CAADLO C[C@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1CNC(=O)C(N)=O ZINC001052867442 782555645 /nfs/dbraw/zinc/55/56/45/782555645.db2.gz NKNPYECPOMWYBZ-UWVGGRQHSA-N 1 2 293.327 -1.421 20 0 CAADLO C[C@H](c1nnnn1C)[N@@H+]1CCC[C@@H](NC(=O)C(N)=O)CC1 ZINC001052673769 782555738 /nfs/dbraw/zinc/55/57/38/782555738.db2.gz CNRLGMBHMSRBTG-RKDXNWHRSA-N 1 2 295.347 -1.273 20 0 CAADLO C[C@H](c1nnnn1C)[N@H+]1CCC[C@@H](NC(=O)C(N)=O)CC1 ZINC001052673769 782555750 /nfs/dbraw/zinc/55/57/50/782555750.db2.gz CNRLGMBHMSRBTG-RKDXNWHRSA-N 1 2 295.347 -1.273 20 0 CAADLO CCC[NH+]1CC2(C1)CN(C(=O)Cn1cnnn1)CCO2 ZINC001053149112 782557323 /nfs/dbraw/zinc/55/73/23/782557323.db2.gz HLUQSEZRUUZICE-UHFFFAOYSA-N 1 2 280.332 -1.004 20 0 CAADLO CC[NH+]1CC2(C1)CN(C(=O)Cn1cnnn1)CCO2 ZINC001053150627 782557942 /nfs/dbraw/zinc/55/79/42/782557942.db2.gz YRAOHPVLVJNLFQ-UHFFFAOYSA-N 1 2 266.305 -1.394 20 0 CAADLO CO[C@H](C)C[NH+]1CC2(C1)CN(C(=O)CC(N)=O)CCO2 ZINC001053196257 782560058 /nfs/dbraw/zinc/56/00/58/782560058.db2.gz PNDXPDXUMXLEQX-SNVBAGLBSA-N 1 2 285.344 -1.190 20 0 CAADLO CC[NH+]1CC2(C1)CN(C(=O)Cn1ncnn1)CCO2 ZINC001053256907 782563418 /nfs/dbraw/zinc/56/34/18/782563418.db2.gz FUEVYVGRWIFEAT-UHFFFAOYSA-N 1 2 266.305 -1.394 20 0 CAADLO C[C@@H]1CN(C(=O)C(N)=O)C[C@@H]1CNC(=O)Cc1[nH]cc[nH+]1 ZINC001053300752 782564134 /nfs/dbraw/zinc/56/41/34/782564134.db2.gz RUWVQIJKSLKSBH-BDAKNGLRSA-N 1 2 293.327 -1.352 20 0 CAADLO C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1CNC(=O)C(N)=O ZINC001053267640 782564335 /nfs/dbraw/zinc/56/43/35/782564335.db2.gz LKUXGZZQYKRNJS-RKDXNWHRSA-N 1 2 293.327 -1.352 20 0 CAADLO CC[NH+]1CC2(C1)CN(C(=O)[C@@H]1CN(C)C(=O)N1)CCO2 ZINC001053374890 782566302 /nfs/dbraw/zinc/56/63/02/782566302.db2.gz QWRUKNBENAYOCZ-JTQLQIEISA-N 1 2 282.344 -1.057 20 0 CAADLO CC(C)[NH+]1CC2(C1)CN(C(=O)[C@@H]1CNC(=O)N1)CCO2 ZINC001053401975 782568226 /nfs/dbraw/zinc/56/82/26/782568226.db2.gz GDMNJQXRPVBEAR-JTQLQIEISA-N 1 2 282.344 -1.011 20 0 CAADLO COC[C@@H](C)[NH+]1CC2(C1)CN(C(=O)C(N)=O)CCO2 ZINC001053403875 782568920 /nfs/dbraw/zinc/56/89/20/782568920.db2.gz VQUAHUIBKCYDOX-SECBINFHSA-N 1 2 271.317 -1.580 20 0 CAADLO CC[NH+]1CC2(C1)CN(C(=O)[C@@H]1CC(=O)NC(=O)N1)CCO2 ZINC001053450154 782569308 /nfs/dbraw/zinc/56/93/08/782569308.db2.gz DDHAQRZJTBNWJY-VIFPVBQESA-N 1 2 296.327 -1.482 20 0 CAADLO NC(=O)C(=O)N1CCOC2(C[NH+](CCCF)C2)C1 ZINC001053404740 782570094 /nfs/dbraw/zinc/57/00/94/782570094.db2.gz UNKYZINAJYLGIB-UHFFFAOYSA-N 1 2 259.281 -1.256 20 0 CAADLO CC[C@@H](C[NH+]1CC2(C1)CN(C(=O)C(N)=O)CCO2)OC ZINC001053404696 782570298 /nfs/dbraw/zinc/57/02/98/782570298.db2.gz RQGRQWVUKCZNAK-JTQLQIEISA-N 1 2 285.344 -1.190 20 0 CAADLO O=C(Cc1c[nH+]c[nH]1)N1CCOC2(CN(CCO)C2)C1 ZINC001053448966 782570513 /nfs/dbraw/zinc/57/05/13/782570513.db2.gz NOAFUNONAUTYED-UHFFFAOYSA-N 1 2 280.328 -1.142 20 0 CAADLO CC[NH+]1CC2(C1)CN(C(=O)C1CC(=O)NC(=O)C1)CCO2 ZINC001053470518 782570651 /nfs/dbraw/zinc/57/06/51/782570651.db2.gz VQQKDRDISYZEAA-UHFFFAOYSA-N 1 2 295.339 -1.028 20 0 CAADLO C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1CNC(=O)C(N)=O ZINC001053503135 782571341 /nfs/dbraw/zinc/57/13/41/782571341.db2.gz IHDIEKLHCRSBDD-RKDXNWHRSA-N 1 2 293.327 -1.352 20 0 CAADLO NC(=O)CN1CC2(C1)CN(C(=O)Cc1[nH]cc[nH+]1)CCO2 ZINC001053483705 782571589 /nfs/dbraw/zinc/57/15/89/782571589.db2.gz YCOXAMYWZHGQOH-UHFFFAOYSA-N 1 2 293.327 -1.649 20 0 CAADLO C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1CNC(=O)C(N)=O ZINC001053503134 782571753 /nfs/dbraw/zinc/57/17/53/782571753.db2.gz IHDIEKLHCRSBDD-IUCAKERBSA-N 1 2 293.327 -1.352 20 0 CAADLO O=C(Cn1cc[nH+]c1)N1CCOC2(CN(CCO)C2)C1 ZINC001053550192 782571770 /nfs/dbraw/zinc/57/17/70/782571770.db2.gz ONWRFVTYMOTWPW-UHFFFAOYSA-N 1 2 280.328 -1.211 20 0 CAADLO Cn1[nH]c(C[NH2+]CCNC(=O)Cc2cnoc2)nc1=O ZINC001132739925 776749567 /nfs/dbraw/zinc/74/95/67/776749567.db2.gz XGSBFBBXANMSRZ-UHFFFAOYSA-N 1 2 280.288 -1.455 20 0 CAADLO C[C@H]([NH2+]CCNC(=O)[C@@H]1CNC(=O)N1)c1csnn1 ZINC001133116409 776763391 /nfs/dbraw/zinc/76/33/91/776763391.db2.gz ZNZRELKLPPBEHU-BQBZGAKWSA-N 1 2 284.345 -1.014 20 0 CAADLO COC[C@@H](OC)C(=O)NCC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001133517613 776780950 /nfs/dbraw/zinc/78/09/50/776780950.db2.gz PQAPRVXFCFLWSG-MRVPVSSYSA-N 1 2 287.320 -2.024 20 0 CAADLO CCc1nnc(C[NH2+]CCNC(=O)C(N)=O)s1 ZINC001133195291 776769540 /nfs/dbraw/zinc/76/95/40/776769540.db2.gz AGOAUYFCVFQKTO-UHFFFAOYSA-N 1 2 257.319 -1.208 20 0 CAADLO NC(=O)C(=O)NCC[NH2+]Cc1cn(C[C@@H]2CCOC2)nn1 ZINC001133196318 776769660 /nfs/dbraw/zinc/76/96/60/776769660.db2.gz MPNFBYVCNJZPDU-VIFPVBQESA-N 1 2 296.331 -1.994 20 0 CAADLO NC(=O)C(=O)NCC[NH2+]Cc1cn(C[C@H]2CCOC2)nn1 ZINC001133196316 776769995 /nfs/dbraw/zinc/76/99/95/776769995.db2.gz MPNFBYVCNJZPDU-SECBINFHSA-N 1 2 296.331 -1.994 20 0 CAADLO NC(=O)C(=O)NCC[NH2+]Cc1nnc(C2CC2)[nH]1 ZINC001133195606 776770172 /nfs/dbraw/zinc/77/01/72/776770172.db2.gz FEEZWYMDFVZWSF-UHFFFAOYSA-N 1 2 252.278 -1.627 20 0 CAADLO NC(=O)C(=O)NCC[NH2+]Cc1cc(=O)n2[nH]ccc2n1 ZINC001133192489 776770210 /nfs/dbraw/zinc/77/02/10/776770210.db2.gz GFVHQHWHNONXII-UHFFFAOYSA-N 1 2 278.272 -2.286 20 0 CAADLO Cn1c(C[NH2+]CCNC(=O)C(N)=O)nnc1C1CCC1 ZINC001133196052 776770294 /nfs/dbraw/zinc/77/02/94/776770294.db2.gz LWULZAVCUKRCEO-UHFFFAOYSA-N 1 2 280.332 -1.226 20 0 CAADLO Cn1ncc2c1nc(C[NH2+]CCNC(=O)C(N)=O)[nH]c2=O ZINC001133192981 776770333 /nfs/dbraw/zinc/77/03/33/776770333.db2.gz MDYKLRVCRRIYBT-UHFFFAOYSA-N 1 2 293.287 -2.240 20 0 CAADLO NC(=O)C(=O)NCC[NH2+]Cc1ncnn1-c1ccccc1 ZINC001133196395 776770375 /nfs/dbraw/zinc/77/03/75/776770375.db2.gz OBKXOWSGWNQIMM-UHFFFAOYSA-N 1 2 288.311 -1.042 20 0 CAADLO CC(C)n1nnnc1C[NH2+]CCNC(=O)C(N)=O ZINC001133206590 776774346 /nfs/dbraw/zinc/77/43/46/776774346.db2.gz YHCVDWNCLIYDNR-UHFFFAOYSA-N 1 2 255.282 -2.055 20 0 CAADLO C[C@H]1CCN(C(=O)Cc2ncn[nH]2)C[C@@H]1C[NH2+]CC(N)=O ZINC001133238170 776774460 /nfs/dbraw/zinc/77/44/60/776774460.db2.gz PZBDKUITKVBZQD-UWVGGRQHSA-N 1 2 294.359 -1.093 20 0 CAADLO CC(C)n1cc(C[NH2+]CCNC(=O)C(N)=O)nn1 ZINC001133206611 776774531 /nfs/dbraw/zinc/77/45/31/776774531.db2.gz ZRIZSOOYXPRQBG-UHFFFAOYSA-N 1 2 254.294 -1.450 20 0 CAADLO COC[C@@H](OC)C(=O)NCC[NH2+]Cc1cnon1 ZINC001133517743 776780994 /nfs/dbraw/zinc/78/09/94/776780994.db2.gz RSLNJHQGIMVYAW-SECBINFHSA-N 1 2 258.278 -1.063 20 0 CAADLO CC(C)(C)n1cc(C[NH2+][C@H](CO)CNC(=O)C(N)=O)nn1 ZINC001283798542 777919596 /nfs/dbraw/zinc/91/95/96/777919596.db2.gz YOAROOXXKWOCJX-VIFPVBQESA-N 1 2 298.347 -1.915 20 0 CAADLO CC(=O)NCCNS(=O)(=O)CCn1cc[nH+]c1 ZINC001119285651 779609886 /nfs/dbraw/zinc/60/98/86/779609886.db2.gz ZMUGDTUXGHQFEB-UHFFFAOYSA-N 1 2 260.319 -1.061 20 0 CAADLO Cn1c[nH+]cc1CNC(=O)N(CCO)CCOCCO ZINC001119287157 779610282 /nfs/dbraw/zinc/61/02/82/779610282.db2.gz WIUPCOGJBPHYFD-UHFFFAOYSA-N 1 2 286.332 -1.067 20 0 CAADLO C[C@H](c1nnnn1C)n1cc(C[N@H+](C)CCO)nn1 ZINC001119279290 779610507 /nfs/dbraw/zinc/61/05/07/779610507.db2.gz BSJWUMKVMDNHRX-MRVPVSSYSA-N 1 2 266.309 -1.165 20 0 CAADLO C[C@H](c1nnnn1C)n1cc(C[N@@H+](C)CCO)nn1 ZINC001119279290 779610509 /nfs/dbraw/zinc/61/05/09/779610509.db2.gz BSJWUMKVMDNHRX-MRVPVSSYSA-N 1 2 266.309 -1.165 20 0 CAADLO CC[NH+]1CCN(C(=O)C(=O)NC2CC(CC(N)=O)C2)CC1 ZINC001119830169 779626183 /nfs/dbraw/zinc/62/61/83/779626183.db2.gz FHOGNJITQPRXLY-UHFFFAOYSA-N 1 2 296.371 -1.079 20 0 CAADLO O=C(C(=O)N1CCn2c[nH+]cc2C1)N1CC=C[C@@H]1CO ZINC001120387723 779635864 /nfs/dbraw/zinc/63/58/64/779635864.db2.gz ICCNBBWKDSRMHC-SNVBAGLBSA-N 1 2 276.296 -1.015 20 0 CAADLO Cc1nc(N[C@H](CO)CNC(=O)[C@H]2CCNC2=O)cc[nH+]1 ZINC001122358312 779666470 /nfs/dbraw/zinc/66/64/70/779666470.db2.gz ZKLQDKVLXYUFEM-UWVGGRQHSA-N 1 2 293.327 -1.190 20 0 CAADLO C[C@@H](C(=O)N[C@]1(C)CCNC1=O)N1CC[NH2+]CC1=O ZINC001122377017 779666476 /nfs/dbraw/zinc/66/64/76/779666476.db2.gz HULRYCAODWCYTN-QPUJVOFHSA-N 1 2 268.317 -1.799 20 0 CAADLO Cc1nc(N[C@@H](CO)CNC(=O)[C@H]2C[C@H]2C(N)=O)cc[nH+]1 ZINC001122569251 779672309 /nfs/dbraw/zinc/67/23/09/779672309.db2.gz WSGRSUVRLXHJCW-BBBLOLIVSA-N 1 2 293.327 -1.205 20 0 CAADLO Cc1nc(N[C@H](CO)CNC(=O)[C@H]2C[C@H]2C(N)=O)cc[nH+]1 ZINC001122569249 779672672 /nfs/dbraw/zinc/67/26/72/779672672.db2.gz WSGRSUVRLXHJCW-AEJSXWLSSA-N 1 2 293.327 -1.205 20 0 CAADLO CC(=O)N[C@@H](C)C(=O)NCC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001123071965 779678650 /nfs/dbraw/zinc/67/86/50/779678650.db2.gz JFDFYRWMOYQRND-ZETCQYMHSA-N 1 2 284.320 -2.161 20 0 CAADLO Cn1[nH]c(C[NH2+]CCNC(=O)c2ccc(=O)[nH]n2)nc1=O ZINC001123091422 779679838 /nfs/dbraw/zinc/67/98/38/779679838.db2.gz QQYFSFVWWARIDL-UHFFFAOYSA-N 1 2 293.287 -1.876 20 0 CAADLO CC(=O)N(C)CC(=O)NCC[NH2+]Cc1cnon1 ZINC001123814936 779694303 /nfs/dbraw/zinc/69/43/03/779694303.db2.gz KCLFZJLGTMBGQP-UHFFFAOYSA-N 1 2 255.278 -1.246 20 0 CAADLO Cn1[nH]c(C[NH2+]CCNC(=O)COCC2CC2)nc1=O ZINC001124005184 779700811 /nfs/dbraw/zinc/70/08/11/779700811.db2.gz HXMXCWXWVKOZGN-UHFFFAOYSA-N 1 2 283.332 -1.259 20 0 CAADLO Cn1cc[nH+]c1CCNC(=O)CCNC(=O)CO ZINC001124014452 779700831 /nfs/dbraw/zinc/70/08/31/779700831.db2.gz GACJFARVYCFZHY-UHFFFAOYSA-N 1 2 254.290 -1.423 20 0 CAADLO Cn1cc(C(=O)C(=O)NCC(=O)N2CC[NH+](C)CC2)cn1 ZINC001124015465 779700901 /nfs/dbraw/zinc/70/09/01/779700901.db2.gz YOABFPPZXPUYLG-UHFFFAOYSA-N 1 2 293.327 -1.507 20 0 CAADLO COC(=O)NCC(=O)NCC[NH2+]Cc1nonc1C ZINC001124181702 779706249 /nfs/dbraw/zinc/70/62/49/779706249.db2.gz INJLPFWBHKCSJX-UHFFFAOYSA-N 1 2 271.277 -1.060 20 0 CAADLO Cc1nc(NC[C@H](O)CN(C)C(=O)CC(N)=O)cc[nH+]1 ZINC001124201143 779707420 /nfs/dbraw/zinc/70/74/20/779707420.db2.gz SKDWFZAFHLLGGX-VIFPVBQESA-N 1 2 281.316 -1.108 20 0 CAADLO Cc1nc(N(C)C[C@H](O)CN(C)C(=O)C(N)=O)cc[nH+]1 ZINC001125241942 779725551 /nfs/dbraw/zinc/72/55/51/779725551.db2.gz OYXHSJJJEJPARO-VIFPVBQESA-N 1 2 281.316 -1.474 20 0 CAADLO O=C(NC[C@H]1CCC2(C[NH+](CCO)C2)O1)c1cn[nH]n1 ZINC001053620074 782573325 /nfs/dbraw/zinc/57/33/25/782573325.db2.gz FTNZMHSGBIRMEJ-SECBINFHSA-N 1 2 281.316 -1.240 20 0 CAADLO Cn1ncc(C(=O)NC[C@@H]2CCC3(C[NH+](CCO)C3)O2)n1 ZINC001053677840 782573381 /nfs/dbraw/zinc/57/33/81/782573381.db2.gz BWOCVOHEIWAEML-JTQLQIEISA-N 1 2 295.343 -1.229 20 0 CAADLO O=C(NC[C@@H]1CCC2(C[NH+](CCO)C2)O1)[C@@H]1CCC(=O)N1 ZINC001053693233 782573406 /nfs/dbraw/zinc/57/34/06/782573406.db2.gz ZHUKUKBYAWXBCE-QWRGUYRKSA-N 1 2 297.355 -1.393 20 0 CAADLO COC(=O)[C@@H](Cc1c[nH+]cn1C)NC(=O)[C@@H]1CNC(=O)C1 ZINC001143303299 779773431 /nfs/dbraw/zinc/77/34/31/779773431.db2.gz KWTUCSWIIBZDEK-WCBMZHEXSA-N 1 2 294.311 -1.244 20 0 CAADLO NC(=O)NCCC(=O)NCC[NH2+]Cc1cnon1 ZINC001150432151 779794010 /nfs/dbraw/zinc/79/40/10/779794010.db2.gz NEXNGUSJYFEQAH-UHFFFAOYSA-N 1 2 256.266 -1.666 20 0 CAADLO Cc1nonc1C[NH2+]CCNC(=O)CCNC(N)=O ZINC001150423136 779794875 /nfs/dbraw/zinc/79/48/75/779794875.db2.gz FGIDHNLWIXLOGF-UHFFFAOYSA-N 1 2 270.293 -1.358 20 0 CAADLO C[C@H](CS(C)(=O)=O)C(=O)NCC[NH2+]Cc1cnon1 ZINC001152618470 779827578 /nfs/dbraw/zinc/82/75/78/779827578.db2.gz OCUGPPYVRMYHEE-MRVPVSSYSA-N 1 2 290.345 -1.044 20 0 CAADLO CN(Cc1n[nH]c(=O)o1)C(=O)CN1CC[NH+](C)CC1 ZINC001118772369 779586896 /nfs/dbraw/zinc/58/68/96/779586896.db2.gz ZRSOBYUNQPVNGZ-UHFFFAOYSA-N 1 2 269.305 -1.019 20 0 CAADLO C=CC(=O)N(C)CC(=O)N1CCC[N@H+](CC(N)=O)CC1 ZINC001118814460 779588440 /nfs/dbraw/zinc/58/84/40/779588440.db2.gz ACLLOOYKOHSVBM-UHFFFAOYSA-N 1 2 282.344 -1.350 20 0 CAADLO C=CC(=O)N(C)CC(=O)N1CCC[N@@H+](CC(N)=O)CC1 ZINC001118814460 779588443 /nfs/dbraw/zinc/58/84/43/779588443.db2.gz ACLLOOYKOHSVBM-UHFFFAOYSA-N 1 2 282.344 -1.350 20 0 CAADLO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)[C@H]1CCNC1=O ZINC001118801127 779588709 /nfs/dbraw/zinc/58/87/09/779588709.db2.gz ATGIMBKMOKDRLH-QWRGUYRKSA-N 1 2 268.361 -1.125 20 0 CAADLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)[C@H]1CCNC1=O ZINC001118801126 779588902 /nfs/dbraw/zinc/58/89/02/779588902.db2.gz ATGIMBKMOKDRLH-MNOVXSKESA-N 1 2 268.361 -1.125 20 0 CAADLO O=C(CN1C(=O)CNC1=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC001118794023 779589035 /nfs/dbraw/zinc/58/90/35/779589035.db2.gz SLTHSFJECRLUQG-SSDOTTSWSA-N 1 2 263.257 -1.524 20 0 CAADLO Cn1c[nH+]c(CCNC(=O)CN2CC(=O)N(C)C2=O)c1 ZINC001118968401 779600957 /nfs/dbraw/zinc/60/09/57/779600957.db2.gz CEHPFJWTFSPQAX-UHFFFAOYSA-N 1 2 279.300 -1.027 20 0 CAADLO NC(=O)C1(C(=O)N2CCO[C@@H](C[NH+]3CCOCC3)C2)CC1 ZINC001118981904 779602378 /nfs/dbraw/zinc/60/23/78/779602378.db2.gz DOTVOFVTDMOISW-NSHDSACASA-N 1 2 297.355 -1.189 20 0 CAADLO COC(=O)[C@H](C)NC(=O)N1CC[NH2+]C[C@H]1C(=O)OC ZINC001239291141 780534801 /nfs/dbraw/zinc/53/48/01/780534801.db2.gz IYJMVGDDQGUTKD-YUMQZZPRSA-N 1 2 273.289 -1.296 20 0 CAADLO CCOC(=O)CNC(=O)N1CC[NH2+]C[C@H]1C(=O)OC ZINC001239291527 780534828 /nfs/dbraw/zinc/53/48/28/780534828.db2.gz MOAHEDBGKUUURG-QMMMGPOBSA-N 1 2 273.289 -1.294 20 0 CAADLO CCOC(=O)CNC(=S)N1CC[NH2+]C[C@H]1C(=O)OC ZINC001239442999 780535680 /nfs/dbraw/zinc/53/56/80/780535680.db2.gz DCGUALOMJHINGI-QMMMGPOBSA-N 1 2 289.357 -1.129 20 0 CAADLO CCOC(=O)[C@H]([NH3+])CNC(=S)NCCC(=O)OC ZINC001239389014 780536000 /nfs/dbraw/zinc/53/60/00/780536000.db2.gz AVJXTGXWQVYFPP-SSDOTTSWSA-N 1 2 277.346 -1.096 20 0 CAADLO CCN1C(=O)CN([C@H]2C[NH2+][C@H](C(=O)OC)C2)CC1=O ZINC001246604429 780558021 /nfs/dbraw/zinc/55/80/21/780558021.db2.gz SNISLGMBOKMJFQ-BDAKNGLRSA-N 1 2 269.301 -1.419 20 0 CAADLO COC(=O)[C@H](Cc1c[nH+]cn1C)NS(=O)(=O)N(C)C ZINC001251104017 780574600 /nfs/dbraw/zinc/57/46/00/780574600.db2.gz MCHGREGHWSDUAY-VIFPVBQESA-N 1 2 290.345 -1.100 20 0 CAADLO CNC(=O)C1(C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)CC1 ZINC001253854541 780596056 /nfs/dbraw/zinc/59/60/56/780596056.db2.gz YJARALZPORDKCY-NSHDSACASA-N 1 2 299.371 -1.336 20 0 CAADLO CC[NH+]1CCN(C(=O)C(=O)N[C@H]2[C@@H]3COC[C@@H]32)CC1 ZINC001260404360 780649745 /nfs/dbraw/zinc/64/97/45/780649745.db2.gz NWOSAGZVDIYSEA-URLYPYJESA-N 1 2 267.329 -1.089 20 0 CAADLO CS(=O)(=O)N1CC([NH2+][C@H]2CCS(=O)(=O)C2)C1 ZINC001254317438 780602306 /nfs/dbraw/zinc/60/23/06/780602306.db2.gz MFLARBRGAZAWQW-ZETCQYMHSA-N 1 2 268.360 -1.593 20 0 CAADLO CC(C)c1noc(C[NH2+]C[C@H](O)CN(C)C(=O)C(N)=O)n1 ZINC001278797014 780605544 /nfs/dbraw/zinc/60/55/44/780605544.db2.gz ICHJGQZEYNNTHB-QMMMGPOBSA-N 1 2 299.331 -1.413 20 0 CAADLO CC(C)OCC(=O)NCC1(O)C[NH+](C[C@H](C)O)C1 ZINC001278844542 780612263 /nfs/dbraw/zinc/61/22/63/780612263.db2.gz ZHBGWHRQKOBWRK-JTQLQIEISA-N 1 2 260.334 -1.045 20 0 CAADLO CCOCC[NH+]1CC(O)(CNC(=O)CNC(=O)CC)C1 ZINC001278848093 780612383 /nfs/dbraw/zinc/61/23/83/780612383.db2.gz ARIATUNRDXZAIK-UHFFFAOYSA-N 1 2 287.360 -1.288 20 0 CAADLO CCOCC[NH+]1CC(O)(CNC(=O)[C@@H]2CCC(=O)NC2)C1 ZINC001278882751 780617104 /nfs/dbraw/zinc/61/71/04/780617104.db2.gz ATKBLJKPIROIRJ-LLVKDONJSA-N 1 2 299.371 -1.288 20 0 CAADLO CO[C@@H](C)C[NH+]1CC(O)(CNC(=O)[C@H]2CCCNC2=O)C1 ZINC001278878502 780617228 /nfs/dbraw/zinc/61/72/28/780617228.db2.gz ZTMBFOFUGIDBET-QWRGUYRKSA-N 1 2 299.371 -1.290 20 0 CAADLO Cn1c[nH+]cc1CNS(=O)(=O)CS(C)(=O)=O ZINC001260582841 780650040 /nfs/dbraw/zinc/65/00/40/780650040.db2.gz FCGLBSZDKSUSDX-UHFFFAOYSA-N 1 2 267.332 -1.158 20 0 CAADLO CO[C@H](C)C[NH+]1CC(O)(CNC(=O)[C@H]2CCCNC2=O)C1 ZINC001278878501 780617334 /nfs/dbraw/zinc/61/73/34/780617334.db2.gz ZTMBFOFUGIDBET-MNOVXSKESA-N 1 2 299.371 -1.290 20 0 CAADLO CC[NH+]1CC(O)(CNC(=O)C[C@H]2CC(=O)NC2=O)C1 ZINC001278936664 780624838 /nfs/dbraw/zinc/62/48/38/780624838.db2.gz LQKRCFQJZJSFIT-QMMMGPOBSA-N 1 2 269.301 -1.778 20 0 CAADLO NC(=O)CCCC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@@H]1O ZINC001221172390 780405845 /nfs/dbraw/zinc/40/58/45/780405845.db2.gz UCIAQOCWYZEODO-BBBLOLIVSA-N 1 2 298.343 -2.308 20 0 CAADLO NC(=O)CCCC(=O)N[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@@H]1O ZINC001221172390 780405848 /nfs/dbraw/zinc/40/58/48/780405848.db2.gz UCIAQOCWYZEODO-BBBLOLIVSA-N 1 2 298.343 -2.308 20 0 CAADLO NC(=O)CCCC(=O)N[C@@H]1C[N@H+](CCF)C[C@@H]1O ZINC001221171025 780405966 /nfs/dbraw/zinc/40/59/66/780405966.db2.gz BPEGHUQXPDAUJS-BDAKNGLRSA-N 1 2 261.297 -1.227 20 0 CAADLO NC(=O)CCCC(=O)N[C@@H]1C[N@@H+](CCF)C[C@@H]1O ZINC001221171025 780405969 /nfs/dbraw/zinc/40/59/69/780405969.db2.gz BPEGHUQXPDAUJS-BDAKNGLRSA-N 1 2 261.297 -1.227 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)CNC(N)=O)[C@@H]2C1 ZINC001221259588 780410090 /nfs/dbraw/zinc/41/00/90/780410090.db2.gz LPTKCIJRQNOLGG-HTQZYQBOSA-N 1 2 269.305 -2.327 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)CNC(N)=O)[C@@H]2C1 ZINC001221259588 780410095 /nfs/dbraw/zinc/41/00/95/780410095.db2.gz LPTKCIJRQNOLGG-HTQZYQBOSA-N 1 2 269.305 -2.327 20 0 CAADLO CCNC(=O)CC(=O)NC[C@@H]1CC[N@@H+]1[C@@H](C)C(N)=O ZINC001276833852 780427169 /nfs/dbraw/zinc/42/71/69/780427169.db2.gz GWYJUAZLONXSKN-IUCAKERBSA-N 1 2 270.333 -1.423 20 0 CAADLO CCNC(=O)CC(=O)NC[C@@H]1CC[N@H+]1[C@@H](C)C(N)=O ZINC001276833852 780427177 /nfs/dbraw/zinc/42/71/77/780427177.db2.gz GWYJUAZLONXSKN-IUCAKERBSA-N 1 2 270.333 -1.423 20 0 CAADLO CCNC(=O)CC(=O)NC[C@H]1CC[N@@H+]1[C@H](C)C(N)=O ZINC001276833853 780428030 /nfs/dbraw/zinc/42/80/30/780428030.db2.gz GWYJUAZLONXSKN-RKDXNWHRSA-N 1 2 270.333 -1.423 20 0 CAADLO CCNC(=O)CC(=O)NC[C@H]1CC[N@H+]1[C@H](C)C(N)=O ZINC001276833853 780428033 /nfs/dbraw/zinc/42/80/33/780428033.db2.gz GWYJUAZLONXSKN-RKDXNWHRSA-N 1 2 270.333 -1.423 20 0 CAADLO CCN(C)C(=O)C[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CCNC1=O ZINC001276898771 780430986 /nfs/dbraw/zinc/43/09/86/780430986.db2.gz LMCZVTYGIMKLII-WDEREUQCSA-N 1 2 296.371 -1.209 20 0 CAADLO CCN(C)C(=O)C[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CCNC1=O ZINC001276898771 780430990 /nfs/dbraw/zinc/43/09/90/780430990.db2.gz LMCZVTYGIMKLII-WDEREUQCSA-N 1 2 296.371 -1.209 20 0 CAADLO Cn1cc(C(=O)NC[C@H]2CCC3(C[NH+](CCO)C3)O2)nn1 ZINC001053597744 782574022 /nfs/dbraw/zinc/57/40/22/782574022.db2.gz HRJGPCHTNCUXLP-SNVBAGLBSA-N 1 2 295.343 -1.229 20 0 CAADLO COC(=O)C1(NS(=O)(=O)CC2CC[NH2+]CC2)COC1 ZINC001238483729 780519450 /nfs/dbraw/zinc/51/94/50/780519450.db2.gz UTMQSZBZUXAWHX-UHFFFAOYSA-N 1 2 292.357 -1.153 20 0 CAADLO CCOC(=O)CS(=O)(=O)NC[C@@H]([NH3+])C(=O)OCC ZINC001238839125 780524167 /nfs/dbraw/zinc/52/41/67/780524167.db2.gz CAGGJGVLECYFIT-SSDOTTSWSA-N 1 2 282.318 -1.641 20 0 CAADLO CCOC(=O)[C@H]([NH3+])CNS(=O)(=O)c1ccn(C)n1 ZINC001238841455 780524273 /nfs/dbraw/zinc/52/42/73/780524273.db2.gz ZHSTUMVVDNLNPI-SSDOTTSWSA-N 1 2 276.318 -1.411 20 0 CAADLO CCOC(=O)[C@H]([NH3+])CNS(=O)(=O)C[C@H]1CCCO1 ZINC001238840324 780524298 /nfs/dbraw/zinc/52/42/98/780524298.db2.gz OTALNBHEHAJVDF-RKDXNWHRSA-N 1 2 280.346 -1.025 20 0 CAADLO CCOC(=O)[C@H]([NH3+])CNS(=O)(=O)C[C@@H]1CCCO1 ZINC001238840322 780524330 /nfs/dbraw/zinc/52/43/30/780524330.db2.gz OTALNBHEHAJVDF-DTWKUNHWSA-N 1 2 280.346 -1.025 20 0 CAADLO CCOCCS(=O)(=O)NC[C@@H]([NH3+])C(=O)OCC ZINC001238839535 780524916 /nfs/dbraw/zinc/52/49/16/780524916.db2.gz HCPDSKSIGQVJTF-MRVPVSSYSA-N 1 2 268.335 -1.167 20 0 CAADLO CCOC(=O)[C@H]([NH3+])CNS(=O)(=O)c1nccn1C ZINC001238839269 780525336 /nfs/dbraw/zinc/52/53/36/780525336.db2.gz FOXNDTQFHSZDHB-SSDOTTSWSA-N 1 2 276.318 -1.411 20 0 CAADLO O=C(Cn1cc[nH+]c1)NC[C@H](O)CN1CCCC1=O ZINC001261217298 780659522 /nfs/dbraw/zinc/65/95/22/780659522.db2.gz GPFKRUBDEXXIJR-JTQLQIEISA-N 1 2 266.301 -1.017 20 0 CAADLO O=C(NCCCc1n[nH]c(=O)[nH]1)[C@@H]1C[NH2+]CCO1 ZINC001261459070 780664112 /nfs/dbraw/zinc/66/41/12/780664112.db2.gz XCVQHBHNNIPXGX-ZETCQYMHSA-N 1 2 255.278 -1.453 20 0 CAADLO CS(=O)(=O)CCNC(=S)NCC[N@@H+]1CC[C@H](O)C1 ZINC001261833655 780689464 /nfs/dbraw/zinc/68/94/64/780689464.db2.gz GKUZKHJEXSXXDA-VIFPVBQESA-N 1 2 295.430 -1.438 20 0 CAADLO CS(=O)(=O)CCNC(=S)NCC[N@H+]1CC[C@H](O)C1 ZINC001261833655 780689468 /nfs/dbraw/zinc/68/94/68/780689468.db2.gz GKUZKHJEXSXXDA-VIFPVBQESA-N 1 2 295.430 -1.438 20 0 CAADLO CN1C(=O)CN(NC(=O)C[NH+]2CCC(CO)CC2)C1=O ZINC001262617315 780716928 /nfs/dbraw/zinc/71/69/28/780716928.db2.gz OJWDHLXFTZTBFI-UHFFFAOYSA-N 1 2 284.316 -1.384 20 0 CAADLO Cc1[nH+]c[nH]c1CNC(=O)CN1C(=O)CNC1=O ZINC000380171753 780727956 /nfs/dbraw/zinc/72/79/56/780727956.db2.gz KULBZKMNDNYBPR-UHFFFAOYSA-N 1 2 251.246 -1.114 20 0 CAADLO CNC(=O)C[N@H+](CCO)[C@H]1CCCN(C(=O)C(N)=O)C1 ZINC001264634799 780738824 /nfs/dbraw/zinc/73/88/24/780738824.db2.gz SGHCDHVMTYXFFA-VIFPVBQESA-N 1 2 286.332 -2.497 20 0 CAADLO CNC(=O)C[N@@H+](CCO)[C@H]1CCCN(C(=O)C(N)=O)C1 ZINC001264634799 780738829 /nfs/dbraw/zinc/73/88/29/780738829.db2.gz SGHCDHVMTYXFFA-VIFPVBQESA-N 1 2 286.332 -2.497 20 0 CAADLO O=C(c1nc[nH]n1)N(CCO)CC[NH2+]Cc1cnon1 ZINC001279858194 780777721 /nfs/dbraw/zinc/77/77/21/780777721.db2.gz NDVNBCDRXAENLP-UHFFFAOYSA-N 1 2 281.276 -1.588 20 0 CAADLO NC(=O)C[NH2+]CCN(CCO)C(=O)c1cc(C2CC2)[nH]n1 ZINC001279838633 780778244 /nfs/dbraw/zinc/77/82/44/780778244.db2.gz OVWKNLQFSYEHIT-UHFFFAOYSA-N 1 2 295.343 -1.204 20 0 CAADLO C[C@@H](CNC(=O)c1nnc[nH]1)[N@H+](C)[C@H]1CCNC1=O ZINC001282470430 780819167 /nfs/dbraw/zinc/81/91/67/780819167.db2.gz YHPPNMYCCZPGFW-YUMQZZPRSA-N 1 2 266.305 -1.257 20 0 CAADLO C[C@@H](CNC(=O)c1nnc[nH]1)[N@@H+](C)[C@H]1CCNC1=O ZINC001282470430 780819172 /nfs/dbraw/zinc/81/91/72/780819172.db2.gz YHPPNMYCCZPGFW-YUMQZZPRSA-N 1 2 266.305 -1.257 20 0 CAADLO C[C@@H](CNC(=O)c1ncn[nH]1)[N@H+](C)[C@H]1CCNC1=O ZINC001282470430 780819179 /nfs/dbraw/zinc/81/91/79/780819179.db2.gz YHPPNMYCCZPGFW-YUMQZZPRSA-N 1 2 266.305 -1.257 20 0 CAADLO C[C@@H](CNC(=O)c1ncn[nH]1)[N@@H+](C)[C@H]1CCNC1=O ZINC001282470430 780819188 /nfs/dbraw/zinc/81/91/88/780819188.db2.gz YHPPNMYCCZPGFW-YUMQZZPRSA-N 1 2 266.305 -1.257 20 0 CAADLO C[C@@H](CNC(=O)c1nc[nH]n1)[N@H+](C)[C@H]1CCNC1=O ZINC001282470430 780819194 /nfs/dbraw/zinc/81/91/94/780819194.db2.gz YHPPNMYCCZPGFW-YUMQZZPRSA-N 1 2 266.305 -1.257 20 0 CAADLO C[C@@H](CNC(=O)c1nc[nH]n1)[N@@H+](C)[C@H]1CCNC1=O ZINC001282470430 780819203 /nfs/dbraw/zinc/81/92/03/780819203.db2.gz YHPPNMYCCZPGFW-YUMQZZPRSA-N 1 2 266.305 -1.257 20 0 CAADLO COC(=O)[C@H]1C[N@H+](C)CCN1C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001144331121 781448449 /nfs/dbraw/zinc/44/84/49/781448449.db2.gz FNWNZJSPMSKAEU-JGVFFNPUSA-N 1 2 298.299 -2.100 20 0 CAADLO COC(=O)[C@H]1C[N@@H+](C)CCN1C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001144331121 781448457 /nfs/dbraw/zinc/44/84/57/781448457.db2.gz FNWNZJSPMSKAEU-JGVFFNPUSA-N 1 2 298.299 -2.100 20 0 CAADLO COC(=O)[C@@H]1C[N@H+](C)CCN1C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001144331132 781448622 /nfs/dbraw/zinc/44/86/22/781448622.db2.gz FNWNZJSPMSKAEU-YUMQZZPRSA-N 1 2 298.299 -2.100 20 0 CAADLO COC(=O)[C@@H]1C[N@@H+](C)CCN1C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001144331132 781448624 /nfs/dbraw/zinc/44/86/24/781448624.db2.gz FNWNZJSPMSKAEU-YUMQZZPRSA-N 1 2 298.299 -2.100 20 0 CAADLO O=C(NC[C@@H]1CCC2(C[NH+](CCO)C2)O1)[C@@H]1CCNC1=O ZINC001053643109 782574144 /nfs/dbraw/zinc/57/41/44/782574144.db2.gz VCAXHHMFKPGNOB-WDEREUQCSA-N 1 2 297.355 -1.536 20 0 CAADLO O=C(Cn1cnnn1)N[C@@H]1COC2(C[NH+](CCO)C2)C1 ZINC001053733212 782574168 /nfs/dbraw/zinc/57/41/68/782574168.db2.gz PBYSRLLZIOOPRF-VIFPVBQESA-N 1 2 282.304 -2.375 20 0 CAADLO O=C(NC[C@H]1CCC2(C[NH+](CCO)C2)O1)[C@H]1CCC(=O)N1 ZINC001053583389 782574195 /nfs/dbraw/zinc/57/41/95/782574195.db2.gz ZHUKUKBYAWXBCE-GHMZBOCLSA-N 1 2 297.355 -1.393 20 0 CAADLO O=C(NC[C@H]1CCC2(C[NH+](CCO)C2)O1)[C@@H]1CCC(=O)N1 ZINC001053693232 782574319 /nfs/dbraw/zinc/57/43/19/782574319.db2.gz ZHUKUKBYAWXBCE-MNOVXSKESA-N 1 2 297.355 -1.393 20 0 CAADLO O=C(NC[C@@H]1CCC2(C[NH+](CCO)C2)O1)[C@H]1CCNC1=O ZINC001053643108 782574408 /nfs/dbraw/zinc/57/44/08/782574408.db2.gz VCAXHHMFKPGNOB-QWRGUYRKSA-N 1 2 297.355 -1.536 20 0 CAADLO NC(=O)[C@@H]1C[C@@H]1C(=O)NC[C@@H]1CCC2(C[NH+](CCO)C2)O1 ZINC001053663312 782574559 /nfs/dbraw/zinc/57/45/59/782574559.db2.gz MJIHIAGRNZFRGE-AXFHLTTASA-N 1 2 297.355 -1.550 20 0 CAADLO O=C(N[C@@H]1COC2(C[NH+](CCO)C2)C1)c1ccn[nH]1 ZINC001053744338 782575419 /nfs/dbraw/zinc/57/54/19/782575419.db2.gz LECXNFHWZXSITC-VIFPVBQESA-N 1 2 266.301 -1.025 20 0 CAADLO O=C(N[C@@H]1COC2(C[NH+](CCO)C2)C1)[C@H]1CCOC1 ZINC001053755212 782578688 /nfs/dbraw/zinc/57/86/88/782578688.db2.gz ZWOFUXMCIZLUJO-QWRGUYRKSA-N 1 2 270.329 -1.025 20 0 CAADLO COCC[NH+]1CC2(C1)C[C@H](NC(=O)Cn1cnnn1)CO2 ZINC001053733493 782575698 /nfs/dbraw/zinc/57/56/98/782575698.db2.gz XFFRLBWFBIFNBK-JTQLQIEISA-N 1 2 296.331 -1.721 20 0 CAADLO O=C(N[C@H]1COC2(C[NH+](CCO)C2)C1)c1cn[nH]c1 ZINC001053746660 782575809 /nfs/dbraw/zinc/57/58/09/782575809.db2.gz JNGXCNPOCMBZKP-SNVBAGLBSA-N 1 2 266.301 -1.025 20 0 CAADLO O=C(Cn1cnnn1)N[C@H]1COC2(C[NH+](CCCO)C2)C1 ZINC001053733002 782575993 /nfs/dbraw/zinc/57/59/93/782575993.db2.gz KNACRRZLQUYDDQ-SNVBAGLBSA-N 1 2 296.331 -1.985 20 0 CAADLO O=C(N[C@@H]1COC2(C[NH+](CCO)C2)C1)C1=COCCO1 ZINC001053731550 782576092 /nfs/dbraw/zinc/57/60/92/782576092.db2.gz YUNSUGQIEGLSJR-JTQLQIEISA-N 1 2 284.312 -1.174 20 0 CAADLO COCC[NH+]1CC2(C1)C[C@@H](NC(=O)Cn1cnnn1)CO2 ZINC001053733494 782576329 /nfs/dbraw/zinc/57/63/29/782576329.db2.gz XFFRLBWFBIFNBK-SNVBAGLBSA-N 1 2 296.331 -1.721 20 0 CAADLO O=C(N[C@@H]1COC2(C[NH+](CCO)C2)C1)[C@H]1COCCO1 ZINC001053746981 782576510 /nfs/dbraw/zinc/57/65/10/782576510.db2.gz PYNWHPDOGZZIIV-WDEREUQCSA-N 1 2 286.328 -1.646 20 0 CAADLO O=C(Cn1cnnn1)N[C@@H]1COC2(C[NH+](CCCO)C2)C1 ZINC001053733001 782576650 /nfs/dbraw/zinc/57/66/50/782576650.db2.gz KNACRRZLQUYDDQ-JTQLQIEISA-N 1 2 296.331 -1.985 20 0 CAADLO Cn1cc(C(=O)N[C@H]2COC3(C[NH+](CCO)C3)C2)cn1 ZINC001053735419 782576704 /nfs/dbraw/zinc/57/67/04/782576704.db2.gz FPEBLWMTLISBAA-LLVKDONJSA-N 1 2 280.328 -1.015 20 0 CAADLO O=C(C[C@H]1COC(=O)C1)N[C@@H]1COC2(C[NH+](CCO)C2)C1 ZINC001053777593 782577597 /nfs/dbraw/zinc/57/75/97/782577597.db2.gz NGCWVZVPDRLAKW-MNOVXSKESA-N 1 2 298.339 -1.109 20 0 CAADLO O=C(C[C@@H]1COC(=O)C1)N[C@H]1COC2(C[NH+](CCO)C2)C1 ZINC001053777595 782577613 /nfs/dbraw/zinc/57/76/13/782577613.db2.gz NGCWVZVPDRLAKW-WDEREUQCSA-N 1 2 298.339 -1.109 20 0 CAADLO O=C(N[C@H]1COC2(C[NH+](CCO)C2)C1)[C@H]1CCC(=O)N1 ZINC001053757169 782577733 /nfs/dbraw/zinc/57/77/33/782577733.db2.gz OOFGOMISASWHCU-NXEZZACHSA-N 1 2 283.328 -1.783 20 0 CAADLO COCC(=O)N[C@@H]1C[N@H+](Cc2cnn(C)c2)C[C@H]1O ZINC001190588079 781876567 /nfs/dbraw/zinc/87/65/67/781876567.db2.gz DGXLQCXCBCQUPH-GHMZBOCLSA-N 1 2 268.317 -1.272 20 0 CAADLO COCC(=O)N[C@@H]1C[N@@H+](Cc2cnn(C)c2)C[C@H]1O ZINC001190588079 781876574 /nfs/dbraw/zinc/87/65/74/781876574.db2.gz DGXLQCXCBCQUPH-GHMZBOCLSA-N 1 2 268.317 -1.272 20 0 CAADLO COCC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1O ZINC001190588349 781876644 /nfs/dbraw/zinc/87/66/44/781876644.db2.gz QHFRNBOGOKPCFX-NXEZZACHSA-N 1 2 271.317 -1.974 20 0 CAADLO COCC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1O ZINC001190588349 781876652 /nfs/dbraw/zinc/87/66/52/781876652.db2.gz QHFRNBOGOKPCFX-NXEZZACHSA-N 1 2 271.317 -1.974 20 0 CAADLO COCCCNC(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(C)=O)C1 ZINC001190581052 781876963 /nfs/dbraw/zinc/87/69/63/781876963.db2.gz RBLGPLPPKVIDAZ-MVWJERBFSA-N 1 2 287.360 -1.291 20 0 CAADLO COCCCNC(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(C)=O)C1 ZINC001190581052 781876969 /nfs/dbraw/zinc/87/69/69/781876969.db2.gz RBLGPLPPKVIDAZ-MVWJERBFSA-N 1 2 287.360 -1.291 20 0 CAADLO COCCCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(C)=O)C1 ZINC001190581059 781877012 /nfs/dbraw/zinc/87/70/12/781877012.db2.gz RBLGPLPPKVIDAZ-YUSALJHKSA-N 1 2 287.360 -1.291 20 0 CAADLO COCCCNC(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(C)=O)C1 ZINC001190581059 781877019 /nfs/dbraw/zinc/87/70/19/781877019.db2.gz RBLGPLPPKVIDAZ-YUSALJHKSA-N 1 2 287.360 -1.291 20 0 CAADLO COCC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCCCC2)C[C@H]1O ZINC001190588092 781877201 /nfs/dbraw/zinc/87/72/01/781877201.db2.gz DTKAOPHQMNRIHM-VXGBXAGGSA-N 1 2 299.371 -1.193 20 0 CAADLO COCC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCCCC2)C[C@H]1O ZINC001190588092 781877211 /nfs/dbraw/zinc/87/72/11/781877211.db2.gz DTKAOPHQMNRIHM-VXGBXAGGSA-N 1 2 299.371 -1.193 20 0 CAADLO CC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)NC(=O)NC2CC2)C[C@H]1O ZINC001190580312 781877255 /nfs/dbraw/zinc/87/72/55/781877255.db2.gz GWFYEHWNTHIAGS-AVPPRXQKSA-N 1 2 298.343 -1.456 20 0 CAADLO CC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)NC(=O)NC2CC2)C[C@H]1O ZINC001190580312 781877265 /nfs/dbraw/zinc/87/72/65/781877265.db2.gz GWFYEHWNTHIAGS-AVPPRXQKSA-N 1 2 298.343 -1.456 20 0 CAADLO CC(=O)N[C@@H]1C[N@H+](C[C@H](C)CS(C)(=O)=O)C[C@H]1O ZINC001190579939 781877766 /nfs/dbraw/zinc/87/77/66/781877766.db2.gz BSHCUFUFVVJQDF-JMJZKYOTSA-N 1 2 278.374 -1.152 20 0 CAADLO CC(=O)N[C@@H]1C[N@@H+](C[C@H](C)CS(C)(=O)=O)C[C@H]1O ZINC001190579939 781877776 /nfs/dbraw/zinc/87/77/76/781877776.db2.gz BSHCUFUFVVJQDF-JMJZKYOTSA-N 1 2 278.374 -1.152 20 0 CAADLO CC(=O)NCC(=O)N[C@@H]1C[N@H+](Cc2ocnc2C)C[C@H]1O ZINC001190717651 781884570 /nfs/dbraw/zinc/88/45/70/781884570.db2.gz MUTYLFJIHLQOPJ-GHMZBOCLSA-N 1 2 296.327 -1.220 20 0 CAADLO CC(=O)NCC(=O)N[C@@H]1C[N@@H+](Cc2ocnc2C)C[C@H]1O ZINC001190717651 781884579 /nfs/dbraw/zinc/88/45/79/781884579.db2.gz MUTYLFJIHLQOPJ-GHMZBOCLSA-N 1 2 296.327 -1.220 20 0 CAADLO CC(=O)NCC(=O)N[C@@H]1C[N@H+](Cc2cnc(C)o2)C[C@H]1O ZINC001190717131 781884666 /nfs/dbraw/zinc/88/46/66/781884666.db2.gz APKXJFGHZUKXFD-VXGBXAGGSA-N 1 2 296.327 -1.220 20 0 CAADLO CC(=O)NCC(=O)N[C@@H]1C[N@@H+](Cc2cnc(C)o2)C[C@H]1O ZINC001190717131 781884675 /nfs/dbraw/zinc/88/46/75/781884675.db2.gz APKXJFGHZUKXFD-VXGBXAGGSA-N 1 2 296.327 -1.220 20 0 CAADLO CC(=O)NCC(=O)N[C@@H]1C[N@H+](Cc2ccccn2)C[C@H]1O ZINC001190676067 781885451 /nfs/dbraw/zinc/88/54/51/781885451.db2.gz GWMKMYPKNOBEIC-CHWSQXEVSA-N 1 2 292.339 -1.121 20 0 CAADLO CC(=O)NCC(=O)N[C@@H]1C[N@@H+](Cc2ccccn2)C[C@H]1O ZINC001190676067 781885456 /nfs/dbraw/zinc/88/54/56/781885456.db2.gz GWMKMYPKNOBEIC-CHWSQXEVSA-N 1 2 292.339 -1.121 20 0 CAADLO CC(=O)NCC(=O)N[C@@H]1C[N@H+](Cc2ccnn2C)C[C@H]1O ZINC001190676063 781885542 /nfs/dbraw/zinc/88/55/42/781885542.db2.gz GVEZLLIJVHEXFE-VXGBXAGGSA-N 1 2 295.343 -1.783 20 0 CAADLO CC(=O)NCC(=O)N[C@@H]1C[N@@H+](Cc2ccnn2C)C[C@H]1O ZINC001190676063 781885552 /nfs/dbraw/zinc/88/55/52/781885552.db2.gz GVEZLLIJVHEXFE-VXGBXAGGSA-N 1 2 295.343 -1.783 20 0 CAADLO C[C@@H](O)CN(C)S(=O)(=O)N1CC[NH+](C)CC1 ZINC001190687832 781885621 /nfs/dbraw/zinc/88/56/21/781885621.db2.gz OCMHZEFZNGFLQH-SECBINFHSA-N 1 2 251.352 -1.209 20 0 CAADLO CCCC(=O)N[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@H]1O ZINC001190684851 781885662 /nfs/dbraw/zinc/88/56/62/781885662.db2.gz MZUJNCXUSFZQLI-KXUCPTDWSA-N 1 2 255.318 -1.164 20 0 CAADLO CCCC(=O)N[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@H]1O ZINC001190684851 781885671 /nfs/dbraw/zinc/88/56/71/781885671.db2.gz MZUJNCXUSFZQLI-KXUCPTDWSA-N 1 2 255.318 -1.164 20 0 CAADLO CC(=O)N(C)CC(=O)N[C@@H]1C[N@H+](CCF)C[C@H]1O ZINC001191185944 781903569 /nfs/dbraw/zinc/90/35/69/781903569.db2.gz RGYOQRCWQAPYBF-NXEZZACHSA-N 1 2 261.297 -1.405 20 0 CAADLO CC(=O)N(C)CC(=O)N[C@@H]1C[N@@H+](CCF)C[C@H]1O ZINC001191185944 781903575 /nfs/dbraw/zinc/90/35/75/781903575.db2.gz RGYOQRCWQAPYBF-NXEZZACHSA-N 1 2 261.297 -1.405 20 0 CAADLO CS(=O)(=O)CC(=O)N[C@@H]1C[N@H+](CC2CCC2)C[C@H]1O ZINC001191530364 781912250 /nfs/dbraw/zinc/91/22/50/781912250.db2.gz NSTRMJSPEXKWNI-GHMZBOCLSA-N 1 2 290.385 -1.008 20 0 CAADLO CS(=O)(=O)CC(=O)N[C@@H]1C[N@@H+](CC2CCC2)C[C@H]1O ZINC001191530364 781912255 /nfs/dbraw/zinc/91/22/55/781912255.db2.gz NSTRMJSPEXKWNI-GHMZBOCLSA-N 1 2 290.385 -1.008 20 0 CAADLO CCCOCC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1O ZINC001191546491 781912341 /nfs/dbraw/zinc/91/23/41/781912341.db2.gz NRGGJJGQECOOQW-VXGBXAGGSA-N 1 2 299.371 -1.193 20 0 CAADLO CCCOCC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1O ZINC001191546491 781912347 /nfs/dbraw/zinc/91/23/47/781912347.db2.gz NRGGJJGQECOOQW-VXGBXAGGSA-N 1 2 299.371 -1.193 20 0 CAADLO O=C(CN1CCOCC1)N[C@H]1COC2(C[NH+](CCO)C2)C1 ZINC001053781803 782577975 /nfs/dbraw/zinc/57/79/75/782577975.db2.gz REQCGPFSWHZGOZ-GFCCVEGCSA-N 1 2 299.371 -1.730 20 0 CAADLO Cn1cc(CC(=O)N[C@H]2COC3(C[NH+](CCO)C3)C2)cn1 ZINC001053752652 782578062 /nfs/dbraw/zinc/57/80/62/782578062.db2.gz CFHBHHVSYRQMPB-GFCCVEGCSA-N 1 2 294.355 -1.086 20 0 CAADLO Nc1nccnc1C(=O)N[C@@H]1COC2(C[NH+](CCO)C2)C1 ZINC001053761303 782578101 /nfs/dbraw/zinc/57/81/01/782578101.db2.gz YJSRVUKANSWIEV-VIFPVBQESA-N 1 2 293.327 -1.376 20 0 CAADLO O=C(N[C@@H]1COC2(C[NH+](CCCO)C2)C1)[C@H]1CCC(=O)N1 ZINC001053757202 782578229 /nfs/dbraw/zinc/57/82/29/782578229.db2.gz PPMVVLWQBRYGDS-WDEREUQCSA-N 1 2 297.355 -1.393 20 0 CAADLO C[C@]1(C(=O)N[C@H]2COC3(C[NH+](CCO)C3)C2)CNC(=O)C1 ZINC001053878851 782582840 /nfs/dbraw/zinc/58/28/40/782582840.db2.gz LCLRGMBGYMXSNM-ZWNOBZJWSA-N 1 2 297.355 -1.536 20 0 CAADLO O=C(N[C@@H]1COC2(C[NH+](CCCO)C2)C1)[C@@H]1CCNC1=O ZINC001053892084 782582968 /nfs/dbraw/zinc/58/29/68/782582968.db2.gz RCIRVLRNBQFSLR-WDEREUQCSA-N 1 2 297.355 -1.536 20 0 CAADLO CC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1CNC(=O)N1)CO2 ZINC001053909018 782585238 /nfs/dbraw/zinc/58/52/38/782585238.db2.gz AKAGJTRGPKQDDE-DTWKUNHWSA-N 1 2 268.317 -1.353 20 0 CAADLO CC[NH+]1CC2(C1)C[C@H](NC(=O)CN1CCNC(=O)C1)CO2 ZINC001053889463 782583080 /nfs/dbraw/zinc/58/30/80/782583080.db2.gz JRGHYGMZMCYAPL-NSHDSACASA-N 1 2 296.371 -1.602 20 0 CAADLO O=C(N[C@@H]1COC2(C[NH+](CCO)C2)C1)[C@H]1CCCC(=O)N1 ZINC001053842560 782583231 /nfs/dbraw/zinc/58/32/31/782583231.db2.gz PJNXYGOFZHAVMW-WDEREUQCSA-N 1 2 297.355 -1.393 20 0 CAADLO C[C@H](O)C[NH+]1CC2(C1)C[C@H](NC(=O)c1cn[nH]n1)CO2 ZINC001053861554 782583306 /nfs/dbraw/zinc/58/33/06/782583306.db2.gz NPJBZCDFNGMGPB-IUCAKERBSA-N 1 2 281.316 -1.241 20 0 CAADLO C[C@@H](O)C[NH+]1CC2(C1)C[C@H](NC(=O)c1cn[nH]n1)CO2 ZINC001053861552 782583466 /nfs/dbraw/zinc/58/34/66/782583466.db2.gz NPJBZCDFNGMGPB-BDAKNGLRSA-N 1 2 281.316 -1.241 20 0 CAADLO Cn1c(=O)[nH]cc1C(=O)N[C@H]1COC2(C[NH+](CCO)C2)C1 ZINC001053892069 782583610 /nfs/dbraw/zinc/58/36/10/782583610.db2.gz QXGVAPFQBHCCGO-SECBINFHSA-N 1 2 296.327 -1.309 20 0 CAADLO C[C@@]1(C(=O)N[C@H]2COC3(C[NH+](CCO)C3)C2)CNC(=O)C1 ZINC001053878850 782583652 /nfs/dbraw/zinc/58/36/52/782583652.db2.gz LCLRGMBGYMXSNM-MFKMUULPSA-N 1 2 297.355 -1.536 20 0 CAADLO O=C(N[C@H]1COC2(C[NH+](CCCO)C2)C1)c1cn[nH]n1 ZINC001053856833 782583715 /nfs/dbraw/zinc/58/37/15/782583715.db2.gz QIMYGMINOFOKPR-SECBINFHSA-N 1 2 281.316 -1.240 20 0 CAADLO CC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1CN(C)C(=O)N1)CO2 ZINC001053890654 782583987 /nfs/dbraw/zinc/58/39/87/782583987.db2.gz DGKUKQLYVOUALS-UWVGGRQHSA-N 1 2 282.344 -1.011 20 0 CAADLO COCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1CCNC1=O)CO2 ZINC001053890931 782584086 /nfs/dbraw/zinc/58/40/86/782584086.db2.gz FTZDUBNYKAICPR-GHMZBOCLSA-N 1 2 297.355 -1.272 20 0 CAADLO O=C(N[C@@H]1COC2(C[NH+](CCO)C2)C1)[C@@H]1CCC(=O)NC1 ZINC001053855575 782584115 /nfs/dbraw/zinc/58/41/15/782584115.db2.gz QRUGKWPKLUTIAW-MNOVXSKESA-N 1 2 297.355 -1.536 20 0 CAADLO Cn1cncc1C(=O)N[C@H]1COC2(C[NH+](CCO)C2)C1 ZINC001053863677 782584135 /nfs/dbraw/zinc/58/41/35/782584135.db2.gz PCSIAQNDAVODLQ-SNVBAGLBSA-N 1 2 280.328 -1.015 20 0 CAADLO CC[NH+]1CC2(C1)C[C@@H](NC(=O)CN1CCNC(=O)C1)CO2 ZINC001053889462 782584155 /nfs/dbraw/zinc/58/41/55/782584155.db2.gz JRGHYGMZMCYAPL-LLVKDONJSA-N 1 2 296.371 -1.602 20 0 CAADLO O=C(N[C@H]1COC2(C[NH+](CCO)C2)C1)c1cn[nH]c(=O)c1 ZINC001053841209 782584312 /nfs/dbraw/zinc/58/43/12/782584312.db2.gz CMJVAVYTKVNMIV-SNVBAGLBSA-N 1 2 294.311 -1.252 20 0 CAADLO COCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1CCNC1=O)CO2 ZINC001053890934 782584330 /nfs/dbraw/zinc/58/43/30/782584330.db2.gz FTZDUBNYKAICPR-QWRGUYRKSA-N 1 2 297.355 -1.272 20 0 CAADLO O=C(N[C@H]1COC2(C[NH+](CCO)C2)C1)c1c[nH]c(=O)cn1 ZINC001053908870 782585061 /nfs/dbraw/zinc/58/50/61/782585061.db2.gz CHRWJEGURDFZLR-SECBINFHSA-N 1 2 294.311 -1.665 20 0 CAADLO Cn1ncc(C(=O)N[C@H]2COC3(C[NH+](CCO)C3)C2)c1N ZINC001053783490 782579117 /nfs/dbraw/zinc/57/91/17/782579117.db2.gz SBBGUZBLGRAFEX-SECBINFHSA-N 1 2 295.343 -1.432 20 0 CAADLO COCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1COC(=O)N1)CO2 ZINC001053789498 782579247 /nfs/dbraw/zinc/57/92/47/782579247.db2.gz FTTQZIRAYYJLCX-UWVGGRQHSA-N 1 2 299.327 -1.299 20 0 CAADLO CC[NH+]1CC2(C1)C[C@H](NC(=O)CN1CN=NC1=O)CO2 ZINC001053782495 782579594 /nfs/dbraw/zinc/57/95/94/782579594.db2.gz SKGPXTILTRASJA-VIFPVBQESA-N 1 2 281.316 -1.037 20 0 CAADLO Cn1nncc1C(=O)N[C@@H]1COC2(C[NH+](CCCO)C2)C1 ZINC001053792659 782579648 /nfs/dbraw/zinc/57/96/48/782579648.db2.gz XKEJBCFITRIPMB-JTQLQIEISA-N 1 2 295.343 -1.229 20 0 CAADLO CC(=O)N1CC(C(=O)N[C@@H]2COC3(C[NH+](CCO)C3)C2)C1 ZINC001053789960 782579745 /nfs/dbraw/zinc/57/97/45/782579745.db2.gz MXLBTAXVLITVLV-LBPRGKRZSA-N 1 2 297.355 -1.584 20 0 CAADLO C[C@H](O)C[NH+]1CC2(C1)C[C@H](NC(=O)c1ncn(C)n1)CO2 ZINC001053794203 782579812 /nfs/dbraw/zinc/57/98/12/782579812.db2.gz IOOPALISAAPLLI-UWVGGRQHSA-N 1 2 295.343 -1.231 20 0 CAADLO C[C@@H](C(=O)N[C@H]1COC2(C[NH+](CCO)C2)C1)n1cncn1 ZINC001053782339 782579827 /nfs/dbraw/zinc/57/98/27/782579827.db2.gz NDEFSMOBYIKSPR-WDEREUQCSA-N 1 2 295.343 -1.209 20 0 CAADLO O=C(N[C@@H]1COC2(C[NH+](CCCO)C2)C1)[C@@H]1COC(=O)N1 ZINC001053790354 782579918 /nfs/dbraw/zinc/57/99/18/782579918.db2.gz UDZNVPWSIVDLKE-UWVGGRQHSA-N 1 2 299.327 -1.563 20 0 CAADLO CN1CCOC[C@@H]1C(=O)N[C@@H]1COC2(C[NH+](CCO)C2)C1 ZINC001053782381 782579945 /nfs/dbraw/zinc/57/99/45/782579945.db2.gz OFUIUYZCNVKYBV-NWDGAFQWSA-N 1 2 299.371 -1.731 20 0 CAADLO C[C@@H](O)C[NH+]1CC2(C1)C[C@H](NC(=O)c1cnnn1C)CO2 ZINC001053791785 782580056 /nfs/dbraw/zinc/58/00/56/782580056.db2.gz MYAJVLHASYLNFH-ZJUUUORDSA-N 1 2 295.343 -1.231 20 0 CAADLO C[C@H](C(=O)N[C@@H]1COC2(C[NH+](CCO)C2)C1)n1cncn1 ZINC001053782337 782580310 /nfs/dbraw/zinc/58/03/10/782580310.db2.gz NDEFSMOBYIKSPR-MNOVXSKESA-N 1 2 295.343 -1.209 20 0 CAADLO Cn1nccc1CC(=O)N[C@H]1COC2(C[NH+](CCO)C2)C1 ZINC001053787632 782580453 /nfs/dbraw/zinc/58/04/53/782580453.db2.gz BYLAFTFZXQJEAK-LLVKDONJSA-N 1 2 294.355 -1.086 20 0 CAADLO Cn1cnc(C(=O)N[C@@H]2COC3(C[NH+](CCCO)C3)C2)n1 ZINC001053794206 782580476 /nfs/dbraw/zinc/58/04/76/782580476.db2.gz IPHSBZRJLGKBJM-JTQLQIEISA-N 1 2 295.343 -1.229 20 0 CAADLO Cn1cc(C(=O)N[C@@H]2COC3(C[NH+](CCCO)C3)C2)nn1 ZINC001053794552 782580588 /nfs/dbraw/zinc/58/05/88/782580588.db2.gz RLVJINJYBWMYBB-JTQLQIEISA-N 1 2 295.343 -1.229 20 0 CAADLO Cn1ccc(CC(=O)N[C@H]2COC3(C[NH+](CCO)C3)C2)n1 ZINC001053798759 782581037 /nfs/dbraw/zinc/58/10/37/782581037.db2.gz CNDYIENOWQTZET-GFCCVEGCSA-N 1 2 294.355 -1.086 20 0 CAADLO O=C(Cn1ncnn1)N[C@H]1COC2(C[NH+](CCCO)C2)C1 ZINC001053803301 782581057 /nfs/dbraw/zinc/58/10/57/782581057.db2.gz PHQCWTXRHFHFBF-SNVBAGLBSA-N 1 2 296.331 -1.985 20 0 CAADLO COCC[NH+]1CC2(C1)C[C@H](NC(=O)Cn1ncnn1)CO2 ZINC001053803240 782581206 /nfs/dbraw/zinc/58/12/06/782581206.db2.gz NRLXBMUQKWSYRX-JTQLQIEISA-N 1 2 296.331 -1.721 20 0 CAADLO O=C(N[C@@H]1COC2(C[NH+](CCO)C2)C1)[C@]12C[C@H]1COC2 ZINC001053812453 782581401 /nfs/dbraw/zinc/58/14/01/782581401.db2.gz FHQYFDRSJODJQF-MJVIPROJSA-N 1 2 282.340 -1.025 20 0 CAADLO CCn1ncc(C(=O)N[C@@H]2COC3(C[NH+](CCO)C3)C2)n1 ZINC001053795390 782581799 /nfs/dbraw/zinc/58/17/99/782581799.db2.gz NPIYGVXXJWRHNK-JTQLQIEISA-N 1 2 295.343 -1.137 20 0 CAADLO O=C(C[C@H]1CCNC1=O)N[C@H]1COC2(C[NH+](CCO)C2)C1 ZINC001053828086 782581825 /nfs/dbraw/zinc/58/18/25/782581825.db2.gz MJMNLKANCMASGV-GHMZBOCLSA-N 1 2 297.355 -1.536 20 0 CAADLO O=C(N[C@H]1COC2(C[NH+](CCO)C2)C1)c1cnc[nH]c1=O ZINC001053838684 782581885 /nfs/dbraw/zinc/58/18/85/782581885.db2.gz JIZZVEZPBDJDMX-SECBINFHSA-N 1 2 294.311 -1.252 20 0 CAADLO C[C@@H](O)C[NH+]1CC2(C1)C[C@H](NC(=O)Cn1nccn1)CO2 ZINC001053815483 782582183 /nfs/dbraw/zinc/58/21/83/782582183.db2.gz NQRSXTFSSBMHIE-MNOVXSKESA-N 1 2 295.343 -1.382 20 0 CAADLO Cc1nnc(CC(=O)N[C@H]2COC3(C[NH+](CCO)C3)C2)o1 ZINC001053794805 782582357 /nfs/dbraw/zinc/58/23/57/782582357.db2.gz YJDWAFCUFQCFAT-SNVBAGLBSA-N 1 2 296.327 -1.128 20 0 CAADLO COCC[NH+]1CC2(C1)C[C@@H](NC(=O)Cn1ncnn1)CO2 ZINC001053803241 782582423 /nfs/dbraw/zinc/58/24/23/782582423.db2.gz NRLXBMUQKWSYRX-SNVBAGLBSA-N 1 2 296.331 -1.721 20 0 CAADLO COCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1CNC(=O)N1)CO2 ZINC001053910969 782585743 /nfs/dbraw/zinc/58/57/43/782585743.db2.gz UCKZMGBLGLHYQQ-VHSXEESVSA-N 1 2 298.343 -1.726 20 0 CAADLO O=C(N[C@H]1COC2(C[NH+](CCO)C2)C1)[C@@H]1CNC(=O)N1 ZINC001053910993 782586047 /nfs/dbraw/zinc/58/60/47/782586047.db2.gz UTQXVVSBFFRDHY-BDAKNGLRSA-N 1 2 284.316 -2.380 20 0 CAADLO C[C@@H](O)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1nnn(C)n1)CO2 ZINC001053897003 782586138 /nfs/dbraw/zinc/58/61/38/782586138.db2.gz IPMIOSLCXCDILV-RKDXNWHRSA-N 1 2 296.331 -1.836 20 0 CAADLO CO[C@H](C)C[NH+]1CC2(C1)C[C@@H](NC(=O)C(N)=O)CO2 ZINC001053912088 782587490 /nfs/dbraw/zinc/58/74/90/782587490.db2.gz UMJCAATVCQSUEM-RKDXNWHRSA-N 1 2 271.317 -1.534 20 0 CAADLO CO[C@@H](C)C[NH+]1CC2(C1)C[C@H](NC(=O)C(N)=O)CO2 ZINC001053912087 782587622 /nfs/dbraw/zinc/58/76/22/782587622.db2.gz UMJCAATVCQSUEM-IUCAKERBSA-N 1 2 271.317 -1.534 20 0 CAADLO O=C(C[C@@H]1CCC(=O)N1)N[C@@H]1COC2(C[NH+](CCO)C2)C1 ZINC001053954193 782588413 /nfs/dbraw/zinc/58/84/13/782588413.db2.gz KLRVECKBGFSMCJ-QWRGUYRKSA-N 1 2 297.355 -1.393 20 0 CAADLO O=C(C[C@@H]1CCC(=O)N1)N[C@H]1COC2(C[NH+](CCO)C2)C1 ZINC001053954194 782588635 /nfs/dbraw/zinc/58/86/35/782588635.db2.gz KLRVECKBGFSMCJ-WDEREUQCSA-N 1 2 297.355 -1.393 20 0 CAADLO NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@H]1COC2(C[NH+](CCO)C2)C1 ZINC001053927067 782589259 /nfs/dbraw/zinc/58/92/59/782589259.db2.gz RIOBETNMYVGXLL-BBBLOLIVSA-N 1 2 283.328 -1.940 20 0 CAADLO C[C@@]1(C(=O)N[C@@H]2COC3(C[NH+](CCO)C3)C2)CCNC1=O ZINC001053925343 782589315 /nfs/dbraw/zinc/58/93/15/782589315.db2.gz JEJNIQAEMAIJCX-GXFFZTMASA-N 1 2 297.355 -1.536 20 0 CAADLO CC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1CC[C@@H](C(N)=O)O1)CO2 ZINC001053924358 782589451 /nfs/dbraw/zinc/58/94/51/782589451.db2.gz REGZNIZIAXQARD-OUAUKWLOSA-N 1 2 297.355 -1.001 20 0 CAADLO NC(=O)CN1CC2(C1)C[C@@H](NC(=O)Cc1c[nH]c[nH+]1)CO2 ZINC001053939144 782589536 /nfs/dbraw/zinc/58/95/36/782589536.db2.gz FBMQROVMPVNIGG-SNVBAGLBSA-N 1 2 293.327 -1.603 20 0 CAADLO O=C(N[C@@H]1COC2(C[NH+](CCCO)C2)C1)[C@@H]1CCC(=O)N1 ZINC001053986629 782590391 /nfs/dbraw/zinc/59/03/91/782590391.db2.gz PPMVVLWQBRYGDS-QWRGUYRKSA-N 1 2 297.355 -1.393 20 0 CAADLO COCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1CCC(=O)N1)CO2 ZINC001053986343 782590405 /nfs/dbraw/zinc/59/04/05/782590405.db2.gz MKRGZYZYBFARNQ-MNOVXSKESA-N 1 2 297.355 -1.129 20 0 CAADLO O=C(Cc1nc[nH]n1)N[C@@H]1COC2(C[NH+](CCCO)C2)C1 ZINC001053977332 782591110 /nfs/dbraw/zinc/59/11/10/782591110.db2.gz SGBUASWHQSINHI-JTQLQIEISA-N 1 2 295.343 -1.311 20 0 CAADLO C[C@H]1CN(C(=O)CC(N)=O)C[C@@H]1[NH2+]Cc1nnn(C)n1 ZINC001054501022 782596743 /nfs/dbraw/zinc/59/67/43/782596743.db2.gz SRVDHNRNDYVEQK-YUMQZZPRSA-N 1 2 281.320 -1.978 20 0 CAADLO C[C@H]1CN(C(=O)CC(N)=O)C[C@H]1[NH2+]Cc1nnn(C)n1 ZINC001054501012 782597131 /nfs/dbraw/zinc/59/71/31/782597131.db2.gz SRVDHNRNDYVEQK-JGVFFNPUSA-N 1 2 281.320 -1.978 20 0 CAADLO O=C(Cn1cncn1)N[C@H]1COC2(C[NH+](CCCO)C2)C1 ZINC001054001901 782591432 /nfs/dbraw/zinc/59/14/32/782591432.db2.gz MYYQEBRYQZUJRJ-LLVKDONJSA-N 1 2 295.343 -1.380 20 0 CAADLO O=C(N[C@H]1COC2(C[NH+](CCCO)C2)C1)[C@@H]1CCC(=O)N1 ZINC001053986628 782591640 /nfs/dbraw/zinc/59/16/40/782591640.db2.gz PPMVVLWQBRYGDS-MNOVXSKESA-N 1 2 297.355 -1.393 20 0 CAADLO Cc1nonc1CC(=O)N[C@@H]1COC2(C[NH+](CCO)C2)C1 ZINC001053971162 782591809 /nfs/dbraw/zinc/59/18/09/782591809.db2.gz FZRNJIWTXXUVOC-JTQLQIEISA-N 1 2 296.327 -1.128 20 0 CAADLO COCC(=O)N1C[C@@H](C)[C@@H]([NH2+]Cc2nnn(C)n2)C1 ZINC001054302873 782592988 /nfs/dbraw/zinc/59/29/88/782592988.db2.gz GOKPGPMDCYSSJD-BDAKNGLRSA-N 1 2 268.321 -1.207 20 0 CAADLO NC(=O)CN1CC2(C1)C[C@H](NC(=O)Cn1cc[nH+]c1)CO2 ZINC001054022701 782593056 /nfs/dbraw/zinc/59/30/56/782593056.db2.gz NMCONPXXQNYOEX-JTQLQIEISA-N 1 2 293.327 -1.672 20 0 CAADLO CC[NH+]1CC2(C1)C[C@H](NC(=O)CN1C(=O)CNC1=O)CO2 ZINC001054003741 782593166 /nfs/dbraw/zinc/59/31/66/782593166.db2.gz ZVKFWSOKGYSMHQ-VIFPVBQESA-N 1 2 296.327 -1.482 20 0 CAADLO O=C(Cn1cncn1)N[C@@H]1COC2(C[NH+](CCCO)C2)C1 ZINC001054001902 782593334 /nfs/dbraw/zinc/59/33/34/782593334.db2.gz MYYQEBRYQZUJRJ-NSHDSACASA-N 1 2 295.343 -1.380 20 0 CAADLO COCc1noc(C[NH2+][C@@H]2CN(C(=O)C(N)=O)C[C@H]2C)n1 ZINC001055019602 782604307 /nfs/dbraw/zinc/60/43/07/782604307.db2.gz BMGSMWNVFXOAMD-HTQZYQBOSA-N 1 2 297.315 -1.362 20 0 CAADLO C[C@@H]1CN(C(=O)c2cn[nH]n2)C[C@@H]1[NH2+]Cc1nnn(C)n1 ZINC001054845202 782602737 /nfs/dbraw/zinc/60/27/37/782602737.db2.gz PVSLHXPSLJCICD-APPZFPTMSA-N 1 2 291.319 -1.422 20 0 CAADLO COCc1noc(C[NH2+][C@@H]2CN(C(=O)C(N)=O)C[C@@H]2C)n1 ZINC001055019603 782605052 /nfs/dbraw/zinc/60/50/52/782605052.db2.gz BMGSMWNVFXOAMD-JGVFFNPUSA-N 1 2 297.315 -1.362 20 0 CAADLO C[C@@H]1CN(C(=O)C(N)=O)C[C@@H]1[NH2+]Cc1nc(N(C)C)no1 ZINC001055021444 782606345 /nfs/dbraw/zinc/60/63/45/782606345.db2.gz ZZMREZPMAOQXJT-SFYZADRCSA-N 1 2 296.331 -1.443 20 0 CAADLO C[C@H]1CN(C(=O)C(N)=O)C[C@@H]1[NH2+]Cc1cnsn1 ZINC001055023385 782606401 /nfs/dbraw/zinc/60/64/01/782606401.db2.gz PHKMMQHKCYUSIJ-XPUUQOCRSA-N 1 2 269.330 -1.040 20 0 CAADLO Cc1nnc(C[NH2+][C@H]2CN(C(=O)C(N)=O)C[C@H]2C)o1 ZINC001055024361 782609021 /nfs/dbraw/zinc/60/90/21/782609021.db2.gz YABHGTBYIIIABI-SVRRBLITSA-N 1 2 267.289 -1.200 20 0 CAADLO Cc1noc(C[NH2+][C@H]2CN(C(=O)C(N)=O)C[C@@H]2C)n1 ZINC001055020153 782606479 /nfs/dbraw/zinc/60/64/79/782606479.db2.gz KQJNIXNFXFLWEH-XPUUQOCRSA-N 1 2 267.289 -1.200 20 0 CAADLO C[C@@H]1CN(C(=O)C(N)=O)C[C@@H]1[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001055020501 782606497 /nfs/dbraw/zinc/60/64/97/782606497.db2.gz PLNLSMMSFRGCOY-RQJHMYQMSA-N 1 2 282.304 -2.470 20 0 CAADLO C[C@@H]1CN(C(=O)C(N)=O)C[C@H]1[NH2+]Cc1cnsn1 ZINC001055023382 782606721 /nfs/dbraw/zinc/60/67/21/782606721.db2.gz PHKMMQHKCYUSIJ-HTRCEHHLSA-N 1 2 269.330 -1.040 20 0 CAADLO C[C@H]1CN(C(=O)C(N)=O)C[C@@H]1[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001055020498 782607260 /nfs/dbraw/zinc/60/72/60/782607260.db2.gz PLNLSMMSFRGCOY-BQBZGAKWSA-N 1 2 282.304 -2.470 20 0 CAADLO C[C@H]1CN(C(=O)C(N)=O)C[C@@H]1[NH2+]Cc1ncccn1 ZINC001055023673 782607380 /nfs/dbraw/zinc/60/73/80/782607380.db2.gz SARJNSVLFYIFCX-IUCAKERBSA-N 1 2 263.301 -1.102 20 0 CAADLO O=C(CNC(=O)[C@@H]1CCn2c[nH+]cc2C1)NCCO ZINC001137351406 782613554 /nfs/dbraw/zinc/61/35/54/782613554.db2.gz CBWSZEJSEJSMAB-SECBINFHSA-N 1 2 266.301 -1.330 20 0 CAADLO C[C@@H]1CN(C(=O)C(N)=O)C[C@@H]1[NH2+]Cc1csnn1 ZINC001055024019 782609096 /nfs/dbraw/zinc/60/90/96/782609096.db2.gz VWKNBEFANAUUNO-SVRRBLITSA-N 1 2 269.330 -1.040 20 0 CAADLO Cc1nc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C(N)=O)cc[nH+]1 ZINC001056371990 782625068 /nfs/dbraw/zinc/62/50/68/782625068.db2.gz FXKKNLCMUXROKB-MBTKJCJQSA-N 1 2 261.285 -1.179 20 0 CAADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C(N)=O)CC1 ZINC001055999353 782620329 /nfs/dbraw/zinc/62/03/29/782620329.db2.gz KIDBXSKQKODUQQ-UHFFFAOYSA-N 1 2 289.299 -1.503 20 0 CAADLO CC(=O)N(CCO)CCNC(=O)Cc1c[nH]c[nH+]1 ZINC001056741764 782626454 /nfs/dbraw/zinc/62/64/54/782626454.db2.gz WIPAXTKRCXLZJK-UHFFFAOYSA-N 1 2 254.290 -1.091 20 0 CAADLO Cn1ncc2c1nc[nH+]c2N[C@@H]1CCN(C(=O)C(N)=O)C1 ZINC001056759451 782634961 /nfs/dbraw/zinc/63/49/61/782634961.db2.gz APODYRGMHIZWPN-SSDOTTSWSA-N 1 2 289.299 -1.139 20 0 CAADLO COCC(=O)N(CCO)CCNC(=O)CCc1[nH]cc[nH+]1 ZINC001056784266 782636725 /nfs/dbraw/zinc/63/67/25/782636725.db2.gz GILHXZUXKFIYSO-UHFFFAOYSA-N 1 2 298.343 -1.074 20 0 CAADLO COCC(=O)N(CCO)CCNC(=O)CCn1cc[nH+]c1 ZINC001056792278 782638419 /nfs/dbraw/zinc/63/84/19/782638419.db2.gz JNOFEFUUGQYHIJ-UHFFFAOYSA-N 1 2 298.343 -1.143 20 0 CAADLO COCC(=O)N(CCO)CCNC(=O)Cc1c[nH]c[nH+]1 ZINC001056790035 782638653 /nfs/dbraw/zinc/63/86/53/782638653.db2.gz MDWIERIRPNWRCJ-UHFFFAOYSA-N 1 2 284.316 -1.464 20 0 CAADLO NC(=O)C[N@H+](CCO)[C@@H]1CCCN(C(=O)C(N)=O)C1 ZINC001264633481 782652562 /nfs/dbraw/zinc/65/25/62/782652562.db2.gz ACMWAVSBRPWDAW-MRVPVSSYSA-N 1 2 272.305 -2.758 20 0 CAADLO NC(=O)C[N@@H+](CCO)[C@@H]1CCCN(C(=O)C(N)=O)C1 ZINC001264633481 782652563 /nfs/dbraw/zinc/65/25/63/782652563.db2.gz ACMWAVSBRPWDAW-MRVPVSSYSA-N 1 2 272.305 -2.758 20 0 CAADLO CO[C@@H](C)C(=O)N(CCO)CCNC(=O)Cc1[nH]cc[nH+]1 ZINC001057109347 782648467 /nfs/dbraw/zinc/64/84/67/782648467.db2.gz NMYYBTMWEVQLEB-JTQLQIEISA-N 1 2 298.343 -1.076 20 0 CAADLO CO[C@@H](C)C(=O)N(CCO)CCNC(=O)Cc1c[nH]c[nH+]1 ZINC001057110363 782648757 /nfs/dbraw/zinc/64/87/57/782648757.db2.gz AXVODZHSRZSVDQ-JTQLQIEISA-N 1 2 298.343 -1.076 20 0 CAADLO CO[C@H](C)C(=O)N(CCO)CCNC(=O)Cc1[nH]cc[nH+]1 ZINC001057109348 782648815 /nfs/dbraw/zinc/64/88/15/782648815.db2.gz NMYYBTMWEVQLEB-SNVBAGLBSA-N 1 2 298.343 -1.076 20 0 CAADLO NC(=O)C[N@H+]1C[C@@H]2CCCN(C(=O)c3cn[nH]n3)[C@@H]2C1 ZINC001050083479 782656681 /nfs/dbraw/zinc/65/66/81/782656681.db2.gz GSAINTFOBVAGIG-WCBMZHEXSA-N 1 2 278.316 -1.174 20 0 CAADLO Cn1cnc(C(=O)N2CCC[C@H]3C[N@H+](CC(N)=O)C[C@H]32)n1 ZINC001050040291 782656537 /nfs/dbraw/zinc/65/65/37/782656537.db2.gz HQVZJQOSEFILDR-VHSXEESVSA-N 1 2 292.343 -1.163 20 0 CAADLO Cn1cnc(C(=O)N2CCC[C@H]3C[N@@H+](CC(N)=O)C[C@H]32)n1 ZINC001050040291 782656542 /nfs/dbraw/zinc/65/65/42/782656542.db2.gz HQVZJQOSEFILDR-VHSXEESVSA-N 1 2 292.343 -1.163 20 0 CAADLO NC(=O)C[N@@H+]1C[C@@H]2CCCN(C(=O)c3cn[nH]n3)[C@@H]2C1 ZINC001050083479 782656677 /nfs/dbraw/zinc/65/66/77/782656677.db2.gz GSAINTFOBVAGIG-WCBMZHEXSA-N 1 2 278.316 -1.174 20 0 CAADLO CNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnn(C)n1)C2 ZINC001098032985 782675342 /nfs/dbraw/zinc/67/53/42/782675342.db2.gz WZJHIDHWNUIIDH-KKZNHRDASA-N 1 2 292.343 -1.104 20 0 CAADLO CNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnn(C)n1)C2 ZINC001098032985 782675344 /nfs/dbraw/zinc/67/53/44/782675344.db2.gz WZJHIDHWNUIIDH-KKZNHRDASA-N 1 2 292.343 -1.104 20 0 CAADLO O=C(NC[C@H]1COCC[N@H+]1CCCO)[C@H]1CCCNC1=O ZINC001050967046 782681548 /nfs/dbraw/zinc/68/15/48/782681548.db2.gz TUDKPYMJWUQDBH-RYUDHWBXSA-N 1 2 299.371 -1.288 20 0 CAADLO O=C(NC[C@H]1COCC[N@@H+]1CCCO)[C@H]1CCCNC1=O ZINC001050967046 782681553 /nfs/dbraw/zinc/68/15/53/782681553.db2.gz TUDKPYMJWUQDBH-RYUDHWBXSA-N 1 2 299.371 -1.288 20 0 CAADLO C[C@@H](O)C[N@@H+]1CCOC[C@H]1CNC(=O)c1cnc[nH]c1=O ZINC001050971056 782682972 /nfs/dbraw/zinc/68/29/72/782682972.db2.gz ACMIJWAJZFNVOE-NXEZZACHSA-N 1 2 296.327 -1.006 20 0 CAADLO C[C@@H](O)C[N@H+]1CCOC[C@H]1CNC(=O)c1cnc[nH]c1=O ZINC001050971056 782682978 /nfs/dbraw/zinc/68/29/78/782682978.db2.gz ACMIJWAJZFNVOE-NXEZZACHSA-N 1 2 296.327 -1.006 20 0 CAADLO C[C@H](O)C[N@@H+]1CCOC[C@H]1CNC(=O)c1cn[nH]c(=O)c1 ZINC001050968765 782683178 /nfs/dbraw/zinc/68/31/78/782683178.db2.gz HSVBLQZOUZJFRL-GXSJLCMTSA-N 1 2 296.327 -1.006 20 0 CAADLO C[C@H](O)C[N@H+]1CCOC[C@H]1CNC(=O)c1cn[nH]c(=O)c1 ZINC001050968765 782683181 /nfs/dbraw/zinc/68/31/81/782683181.db2.gz HSVBLQZOUZJFRL-GXSJLCMTSA-N 1 2 296.327 -1.006 20 0 CAADLO C[C@H](O)C[N@@H+]1CCOC[C@@H]1CNC(=O)c1cn[nH]c(=O)c1 ZINC001050968768 782683204 /nfs/dbraw/zinc/68/32/04/782683204.db2.gz HSVBLQZOUZJFRL-ONGXEEELSA-N 1 2 296.327 -1.006 20 0 CAADLO C[C@H](O)C[N@H+]1CCOC[C@@H]1CNC(=O)c1cn[nH]c(=O)c1 ZINC001050968768 782683206 /nfs/dbraw/zinc/68/32/06/782683206.db2.gz HSVBLQZOUZJFRL-ONGXEEELSA-N 1 2 296.327 -1.006 20 0 CAADLO C[C@H](O)C[N@@H+]1CCOC[C@@H]1CNC(=O)c1cnc[nH]c1=O ZINC001050971057 782683529 /nfs/dbraw/zinc/68/35/29/782683529.db2.gz ACMIJWAJZFNVOE-UWVGGRQHSA-N 1 2 296.327 -1.006 20 0 CAADLO C[C@H](O)C[N@H+]1CCOC[C@@H]1CNC(=O)c1cnc[nH]c1=O ZINC001050971057 782683535 /nfs/dbraw/zinc/68/35/35/782683535.db2.gz ACMIJWAJZFNVOE-UWVGGRQHSA-N 1 2 296.327 -1.006 20 0 CAADLO CC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001051059710 782684724 /nfs/dbraw/zinc/68/47/24/782684724.db2.gz CFQDNLWZULJVFO-UWVGGRQHSA-N 1 2 270.333 -1.153 20 0 CAADLO CC[N@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001051059710 782684728 /nfs/dbraw/zinc/68/47/28/782684728.db2.gz CFQDNLWZULJVFO-UWVGGRQHSA-N 1 2 270.333 -1.153 20 0 CAADLO C[C@H](O)C[N@@H+]1CCOC[C@H]1CNC(=O)c1c[nH]c(=O)n1C ZINC001051064173 782686853 /nfs/dbraw/zinc/68/68/53/782686853.db2.gz MDMGPHPKFPPGSF-VHSXEESVSA-N 1 2 298.343 -1.063 20 0 CAADLO C[C@H](O)C[N@H+]1CCOC[C@H]1CNC(=O)c1c[nH]c(=O)n1C ZINC001051064173 782686858 /nfs/dbraw/zinc/68/68/58/782686858.db2.gz MDMGPHPKFPPGSF-VHSXEESVSA-N 1 2 298.343 -1.063 20 0 CAADLO C[C@H](O)C[N@@H+]1CCOC[C@@H]1CNC(=O)c1c[nH]c(=O)n1C ZINC001051064172 782686894 /nfs/dbraw/zinc/68/68/94/782686894.db2.gz MDMGPHPKFPPGSF-UWVGGRQHSA-N 1 2 298.343 -1.063 20 0 CAADLO C[C@H](O)C[N@H+]1CCOC[C@@H]1CNC(=O)c1c[nH]c(=O)n1C ZINC001051064172 782686897 /nfs/dbraw/zinc/68/68/97/782686897.db2.gz MDMGPHPKFPPGSF-UWVGGRQHSA-N 1 2 298.343 -1.063 20 0 CAADLO CC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CNC(=O)N1 ZINC001051094315 782687649 /nfs/dbraw/zinc/68/76/49/782687649.db2.gz KZVZGHCYEFSXAH-IUCAKERBSA-N 1 2 256.306 -1.495 20 0 CAADLO CC[N@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CNC(=O)N1 ZINC001051094315 782687653 /nfs/dbraw/zinc/68/76/53/782687653.db2.gz KZVZGHCYEFSXAH-IUCAKERBSA-N 1 2 256.306 -1.495 20 0 CAADLO CCC[N@@H+]1CCOC[C@H]1CNC(=O)[C@H]1CNC(=O)N1 ZINC001051090947 782688084 /nfs/dbraw/zinc/68/80/84/782688084.db2.gz JJBROUUHGYDRFP-NXEZZACHSA-N 1 2 270.333 -1.105 20 0 CAADLO CCC[N@H+]1CCOC[C@H]1CNC(=O)[C@H]1CNC(=O)N1 ZINC001051090947 782688092 /nfs/dbraw/zinc/68/80/92/782688092.db2.gz JJBROUUHGYDRFP-NXEZZACHSA-N 1 2 270.333 -1.105 20 0 CAADLO CC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CNC(=O)N1 ZINC001051094314 782688218 /nfs/dbraw/zinc/68/82/18/782688218.db2.gz KZVZGHCYEFSXAH-DTWKUNHWSA-N 1 2 256.306 -1.495 20 0 CAADLO CC[N@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CNC(=O)N1 ZINC001051094314 782688225 /nfs/dbraw/zinc/68/82/25/782688225.db2.gz KZVZGHCYEFSXAH-DTWKUNHWSA-N 1 2 256.306 -1.495 20 0 CAADLO Cn1cc(C(=O)NC[C@H]2COCC[N@@H+]2CCCO)[nH]c1=O ZINC001051091300 782688260 /nfs/dbraw/zinc/68/82/60/782688260.db2.gz FVGVEFXJRZMQRX-JTQLQIEISA-N 1 2 298.343 -1.061 20 0 CAADLO Cn1cc(C(=O)NC[C@H]2COCC[N@H+]2CCCO)[nH]c1=O ZINC001051091300 782688268 /nfs/dbraw/zinc/68/82/68/782688268.db2.gz FVGVEFXJRZMQRX-JTQLQIEISA-N 1 2 298.343 -1.061 20 0 CAADLO CC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001051115660 782688873 /nfs/dbraw/zinc/68/88/73/782688873.db2.gz CEBYMUBKFKIISA-AEJSXWLSSA-N 1 2 255.318 -1.055 20 0 CAADLO CC[N@H+]1CCOC[C@@H]1CNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001051115660 782688884 /nfs/dbraw/zinc/68/88/84/782688884.db2.gz CEBYMUBKFKIISA-AEJSXWLSSA-N 1 2 255.318 -1.055 20 0 CAADLO C[C@H](O)C[N@@H+]1CCOC[C@H]1CNC(=O)c1cn(C)c(=O)[nH]1 ZINC001051092463 782688919 /nfs/dbraw/zinc/68/89/19/782688919.db2.gz UDXQIDVGFXOEKP-VHSXEESVSA-N 1 2 298.343 -1.063 20 0 CAADLO C[C@H](O)C[N@H+]1CCOC[C@H]1CNC(=O)c1cn(C)c(=O)[nH]1 ZINC001051092463 782688925 /nfs/dbraw/zinc/68/89/25/782688925.db2.gz UDXQIDVGFXOEKP-VHSXEESVSA-N 1 2 298.343 -1.063 20 0 CAADLO C[C@@H](O)C[N@@H+]1CCOC[C@H]1CNC(=O)c1cn(C)c(=O)[nH]1 ZINC001051092461 782689016 /nfs/dbraw/zinc/68/90/16/782689016.db2.gz UDXQIDVGFXOEKP-NXEZZACHSA-N 1 2 298.343 -1.063 20 0 CAADLO C[C@@H](O)C[N@H+]1CCOC[C@H]1CNC(=O)c1cn(C)c(=O)[nH]1 ZINC001051092461 782689025 /nfs/dbraw/zinc/68/90/25/782689025.db2.gz UDXQIDVGFXOEKP-NXEZZACHSA-N 1 2 298.343 -1.063 20 0 CAADLO O=C(NC[C@@H]1COCC[N@H+]1CCCF)[C@H]1CNC(=O)N1 ZINC001051097190 782689074 /nfs/dbraw/zinc/68/90/74/782689074.db2.gz WUFUQLIAYMNHSK-NXEZZACHSA-N 1 2 288.323 -1.156 20 0 CAADLO O=C(NC[C@@H]1COCC[N@@H+]1CCCF)[C@H]1CNC(=O)N1 ZINC001051097190 782689085 /nfs/dbraw/zinc/68/90/85/782689085.db2.gz WUFUQLIAYMNHSK-NXEZZACHSA-N 1 2 288.323 -1.156 20 0 CAADLO CC[N@@H+]1CCOC[C@H]1CNC(=O)[C@@H]1CNC(=O)N1 ZINC001051094313 782689502 /nfs/dbraw/zinc/68/95/02/782689502.db2.gz KZVZGHCYEFSXAH-BDAKNGLRSA-N 1 2 256.306 -1.495 20 0 CAADLO CC[N@H+]1CCOC[C@H]1CNC(=O)[C@@H]1CNC(=O)N1 ZINC001051094313 782689510 /nfs/dbraw/zinc/68/95/10/782689510.db2.gz KZVZGHCYEFSXAH-BDAKNGLRSA-N 1 2 256.306 -1.495 20 0 CAADLO O=C(NC[C@@H]1COCC[N@H+]1CCCF)[C@@H]1CNC(=O)N1 ZINC001051097197 782689788 /nfs/dbraw/zinc/68/97/88/782689788.db2.gz WUFUQLIAYMNHSK-ZJUUUORDSA-N 1 2 288.323 -1.156 20 0 CAADLO O=C(NC[C@@H]1COCC[N@@H+]1CCCF)[C@@H]1CNC(=O)N1 ZINC001051097197 782689792 /nfs/dbraw/zinc/68/97/92/782689792.db2.gz WUFUQLIAYMNHSK-ZJUUUORDSA-N 1 2 288.323 -1.156 20 0 CAADLO CC[N@@H+]1CCOC[C@H]1CNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001051139498 782690969 /nfs/dbraw/zinc/69/09/69/782690969.db2.gz GAFCSJDZQQHHLF-BDAKNGLRSA-N 1 2 284.316 -1.579 20 0 CAADLO CC[N@H+]1CCOC[C@H]1CNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001051139498 782690971 /nfs/dbraw/zinc/69/09/71/782690971.db2.gz GAFCSJDZQQHHLF-BDAKNGLRSA-N 1 2 284.316 -1.579 20 0 CAADLO CC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001051248236 782694175 /nfs/dbraw/zinc/69/41/75/782694175.db2.gz XHENARWLKZQONB-UWVGGRQHSA-N 1 2 291.373 -1.485 20 0 CAADLO CC[N@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001051248236 782694177 /nfs/dbraw/zinc/69/41/77/782694177.db2.gz XHENARWLKZQONB-UWVGGRQHSA-N 1 2 291.373 -1.485 20 0 CAADLO C[C@@H](NC(=O)Cc1[nH]cc[nH+]1)[C@@H]1CCN(C(=O)C(N)=O)C1 ZINC001051458831 782696144 /nfs/dbraw/zinc/69/61/44/782696144.db2.gz BRMHKGAAVJAGHB-RKDXNWHRSA-N 1 2 293.327 -1.209 20 0 CAADLO C[C@@H](NC(=O)Cc1c[nH]c[nH+]1)[C@H]1CCN(C(=O)C(N)=O)C1 ZINC001051471153 782697415 /nfs/dbraw/zinc/69/74/15/782697415.db2.gz VJLMUAYHWFKSJC-BDAKNGLRSA-N 1 2 293.327 -1.209 20 0 CAADLO C[C@H](NC(=O)Cc1c[nH]c[nH+]1)[C@@H]1CCN(C(=O)C(N)=O)C1 ZINC001051471154 782697808 /nfs/dbraw/zinc/69/78/08/782697808.db2.gz VJLMUAYHWFKSJC-DTWKUNHWSA-N 1 2 293.327 -1.209 20 0 CAADLO NC(=O)CC(=O)N1CCO[C@H](C[NH2+]Cc2csnn2)C1 ZINC001051505583 782699414 /nfs/dbraw/zinc/69/94/14/782699414.db2.gz QJHNRLCZBMWLBL-SECBINFHSA-N 1 2 299.356 -1.270 20 0 CAADLO C[C@H](NC(=O)C(N)=O)[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001051673230 782700171 /nfs/dbraw/zinc/70/01/71/782700171.db2.gz YPGBLCVYAXPZGE-DTWKUNHWSA-N 1 2 293.327 -1.209 20 0 CAADLO NC(=O)C(=O)N1CCO[C@@H](C[NH2+]Cc2csnn2)C1 ZINC001051794204 782703562 /nfs/dbraw/zinc/70/35/62/782703562.db2.gz ICBLGLORHSQICB-QMMMGPOBSA-N 1 2 285.329 -1.660 20 0 CAADLO Cc1noc(C[NH2+]C[C@@H]2CN(C(=O)C(N)=O)CCO2)n1 ZINC001051794367 782704915 /nfs/dbraw/zinc/70/49/15/782704915.db2.gz LETIGKQKLLPLPD-MRVPVSSYSA-N 1 2 283.288 -1.820 20 0 CAADLO COCC(=O)N1CC[C@@H]([NH+]2CCN(CC(N)=O)CC2)C1 ZINC001051956575 782709787 /nfs/dbraw/zinc/70/97/87/782709787.db2.gz QTQGUMGJVGVGCJ-LLVKDONJSA-N 1 2 284.360 -1.663 20 0 CAADLO NC(=O)C(=O)N1CCO[C@H](C[NH2+]Cc2cnsn2)C1 ZINC001051794843 782706069 /nfs/dbraw/zinc/70/60/69/782706069.db2.gz ULUHTYDOHRYGTK-MRVPVSSYSA-N 1 2 285.329 -1.660 20 0 CAADLO NC(=O)CC(=O)N1CC[C@@H]([NH+]2CCN(CCO)CC2)C1 ZINC001052003678 782710007 /nfs/dbraw/zinc/71/00/07/782710007.db2.gz YYGKHLLIOZVWHL-LLVKDONJSA-N 1 2 284.360 -1.927 20 0 CAADLO NC(=O)CC(=O)N1CC[C@@H]([NH+]2CCN(CC(N)=O)CC2)C1 ZINC001052001640 782709404 /nfs/dbraw/zinc/70/94/04/782709404.db2.gz XRSOMTAXQWJKGH-SNVBAGLBSA-N 1 2 297.359 -2.434 20 0 CAADLO CNC(=O)CN1CC[NH+]([C@H]2CCN(C(=O)COC)C2)CC1 ZINC001051956301 782710364 /nfs/dbraw/zinc/71/03/64/782710364.db2.gz NAXHUUNRAHPDTA-LBPRGKRZSA-N 1 2 298.387 -1.403 20 0 CAADLO NC(=O)C(=O)N1CC[C@@H]([NH+]2CCN(CCF)CC2)C1 ZINC001052074712 782711912 /nfs/dbraw/zinc/71/19/12/782711912.db2.gz JLHCNLUDURSGMM-SNVBAGLBSA-N 1 2 272.324 -1.340 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@@H](NC(=O)c2cn[nH]n2)CC1 ZINC001052521051 782714911 /nfs/dbraw/zinc/71/49/11/782714911.db2.gz PXCMMJVPMKNTKO-MRVPVSSYSA-N 1 2 266.305 -1.126 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@@H](NC(=O)c2cn[nH]n2)CC1 ZINC001052521051 782714927 /nfs/dbraw/zinc/71/49/27/782714927.db2.gz PXCMMJVPMKNTKO-MRVPVSSYSA-N 1 2 266.305 -1.126 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@@H](NC(=O)c2cnn[nH]2)CC1 ZINC001052521051 782714933 /nfs/dbraw/zinc/71/49/33/782714933.db2.gz PXCMMJVPMKNTKO-MRVPVSSYSA-N 1 2 266.305 -1.126 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@@H](NC(=O)c2cnn[nH]2)CC1 ZINC001052521051 782714939 /nfs/dbraw/zinc/71/49/39/782714939.db2.gz PXCMMJVPMKNTKO-MRVPVSSYSA-N 1 2 266.305 -1.126 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@H](NC(=O)c2cn[nH]n2)CC1 ZINC001052521052 782716314 /nfs/dbraw/zinc/71/63/14/782716314.db2.gz PXCMMJVPMKNTKO-QMMMGPOBSA-N 1 2 266.305 -1.126 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@H](NC(=O)c2cn[nH]n2)CC1 ZINC001052521052 782716315 /nfs/dbraw/zinc/71/63/15/782716315.db2.gz PXCMMJVPMKNTKO-QMMMGPOBSA-N 1 2 266.305 -1.126 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@H](NC(=O)c2cnn[nH]2)CC1 ZINC001052521052 782716323 /nfs/dbraw/zinc/71/63/23/782716323.db2.gz PXCMMJVPMKNTKO-QMMMGPOBSA-N 1 2 266.305 -1.126 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@H](NC(=O)c2cnn[nH]2)CC1 ZINC001052521052 782716329 /nfs/dbraw/zinc/71/63/29/782716329.db2.gz PXCMMJVPMKNTKO-QMMMGPOBSA-N 1 2 266.305 -1.126 20 0 CAADLO COCC(=O)NCCN(CCO)C(=O)CCn1cc[nH+]c1 ZINC001058199588 782724369 /nfs/dbraw/zinc/72/43/69/782724369.db2.gz WVQDTHNTOKKTIR-UHFFFAOYSA-N 1 2 298.343 -1.143 20 0 CAADLO CN(CCCN(C)C(=O)C(N)=O)C(=O)Cc1[nH]cc[nH+]1 ZINC001068029103 782733009 /nfs/dbraw/zinc/73/30/09/782733009.db2.gz HMAYEVRAPYNUTG-UHFFFAOYSA-N 1 2 281.316 -1.256 20 0 CAADLO CC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCCNC2=O)C[C@@H]1n1ccnn1 ZINC001069884376 782741663 /nfs/dbraw/zinc/74/16/63/782741663.db2.gz HCSCVSDYWXRYGX-UTUOFQBUSA-N 1 2 292.343 -1.082 20 0 CAADLO CC(=O)N[C@@H]1C[N@H+]([C@@H]2CCCNC2=O)C[C@@H]1n1ccnn1 ZINC001069884376 782741670 /nfs/dbraw/zinc/74/16/70/782741670.db2.gz HCSCVSDYWXRYGX-UTUOFQBUSA-N 1 2 292.343 -1.082 20 0 CAADLO CC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@@H]1n1ccnn1 ZINC001069884323 782741805 /nfs/dbraw/zinc/74/18/05/782741805.db2.gz FEOQRGRWKVHZQM-NEPJUHHUSA-N 1 2 292.343 -1.128 20 0 CAADLO CC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@@H]1n1ccnn1 ZINC001069884323 782741809 /nfs/dbraw/zinc/74/18/09/782741809.db2.gz FEOQRGRWKVHZQM-NEPJUHHUSA-N 1 2 292.343 -1.128 20 0 CAADLO CC(=O)N1C[C@@H]([NH2+]Cc2cnn(C)n2)[C@@H](n2ccnn2)C1 ZINC001070110538 782745857 /nfs/dbraw/zinc/74/58/57/782745857.db2.gz VZXFMYRIMUAPTI-NEPJUHHUSA-N 1 2 290.331 -1.032 20 0 CAADLO O=C([C@H]1CCOC1)N1CCC(=O)NCC[N@@H+](CCO)CC1 ZINC001070947100 782755340 /nfs/dbraw/zinc/75/53/40/782755340.db2.gz JFHURLOEXQTHSK-LBPRGKRZSA-N 1 2 299.371 -1.334 20 0 CAADLO CO[C@@H](C)C(=O)N1CCC(=O)NCC[N@@H+](CCO)CC1 ZINC001070943164 782755057 /nfs/dbraw/zinc/75/50/57/782755057.db2.gz DDJQQIRJULJPKG-NSHDSACASA-N 1 2 287.360 -1.336 20 0 CAADLO CO[C@@H](C)C(=O)N1CCC(=O)NCC[N@H+](CCO)CC1 ZINC001070943164 782755063 /nfs/dbraw/zinc/75/50/63/782755063.db2.gz DDJQQIRJULJPKG-NSHDSACASA-N 1 2 287.360 -1.336 20 0 CAADLO O=C([C@H]1CCOC1)N1CCC(=O)NCC[N@H+](CCO)CC1 ZINC001070947100 782755348 /nfs/dbraw/zinc/75/53/48/782755348.db2.gz JFHURLOEXQTHSK-LBPRGKRZSA-N 1 2 299.371 -1.334 20 0 CAADLO O=C(c1cocn1)N1CCC(=O)NCC[N@@H+](CCO)CC1 ZINC001070948505 782755528 /nfs/dbraw/zinc/75/55/28/782755528.db2.gz OVHRRFNWTOFFEP-UHFFFAOYSA-N 1 2 296.327 -1.069 20 0 CAADLO O=C(c1cocn1)N1CCC(=O)NCC[N@H+](CCO)CC1 ZINC001070948505 782755531 /nfs/dbraw/zinc/75/55/31/782755531.db2.gz OVHRRFNWTOFFEP-UHFFFAOYSA-N 1 2 296.327 -1.069 20 0 CAADLO COCC(=O)N1C[C@H](C)O[C@]2(CC[N@H+](CC(N)=O)C2)C1 ZINC001071112917 782756711 /nfs/dbraw/zinc/75/67/11/782756711.db2.gz HEEBFQHCDUOUFT-GWCFXTLKSA-N 1 2 285.344 -1.190 20 0 CAADLO COCC(=O)N1C[C@H](C)O[C@]2(CC[N@@H+](CC(N)=O)C2)C1 ZINC001071112917 782756716 /nfs/dbraw/zinc/75/67/16/782756716.db2.gz HEEBFQHCDUOUFT-GWCFXTLKSA-N 1 2 285.344 -1.190 20 0 CAADLO C[C@H]1CN(C(=O)CC(N)=O)C[C@@]2(CC[N@H+](CC(N)=O)C2)O1 ZINC001071149585 782759733 /nfs/dbraw/zinc/75/97/33/782759733.db2.gz OLOPPBZOJMGPRR-ZANVPECISA-N 1 2 298.343 -1.961 20 0 CAADLO C[C@H]1CN(C(=O)CC(N)=O)C[C@@]2(CC[N@@H+](CC(N)=O)C2)O1 ZINC001071149585 782759741 /nfs/dbraw/zinc/75/97/41/782759741.db2.gz OLOPPBZOJMGPRR-ZANVPECISA-N 1 2 298.343 -1.961 20 0 CAADLO C[C@@H]1CC[C@@H](NC(=O)Cn2cnnn2)C[N@@H+]1CC(N)=O ZINC001071340776 782760210 /nfs/dbraw/zinc/76/02/10/782760210.db2.gz UBAFATAHCUEOLV-RKDXNWHRSA-N 1 2 281.320 -1.873 20 0 CAADLO C[C@@H]1CC[C@@H](NC(=O)Cn2cnnn2)C[N@H+]1CC(N)=O ZINC001071340776 782760219 /nfs/dbraw/zinc/76/02/19/782760219.db2.gz UBAFATAHCUEOLV-RKDXNWHRSA-N 1 2 281.320 -1.873 20 0 CAADLO CC[N@@H+]1CCN([C@@H]2CCCN(C(=O)C(N)=O)C2)C(=O)C1 ZINC001071272185 782760846 /nfs/dbraw/zinc/76/08/46/782760846.db2.gz IDIVRRKBFLHRCD-SNVBAGLBSA-N 1 2 282.344 -1.373 20 0 CAADLO CC[N@H+]1CCN([C@@H]2CCCN(C(=O)C(N)=O)C2)C(=O)C1 ZINC001071272185 782760856 /nfs/dbraw/zinc/76/08/56/782760856.db2.gz IDIVRRKBFLHRCD-SNVBAGLBSA-N 1 2 282.344 -1.373 20 0 CAADLO C[C@H]1CC[C@H](NC(=O)c2cn(C)nn2)C[N@@H+]1CC(N)=O ZINC001071467449 782761724 /nfs/dbraw/zinc/76/17/24/782761724.db2.gz RGYSJQTUFQHNGM-IUCAKERBSA-N 1 2 280.332 -1.117 20 0 CAADLO C[C@H]1CC[C@H](NC(=O)c2cn(C)nn2)C[N@H+]1CC(N)=O ZINC001071467449 782761735 /nfs/dbraw/zinc/76/17/35/782761735.db2.gz RGYSJQTUFQHNGM-IUCAKERBSA-N 1 2 280.332 -1.117 20 0 CAADLO CC(=O)N1CC(C(=O)N[C@H]2CC[C@H](C)[N@@H+](CC(N)=O)C2)C1 ZINC001071460988 782761992 /nfs/dbraw/zinc/76/19/92/782761992.db2.gz POHFBBJNAAEIFH-CABZTGNLSA-N 1 2 296.371 -1.081 20 0 CAADLO CC(=O)N1CC(C(=O)N[C@H]2CC[C@H](C)[N@H+](CC(N)=O)C2)C1 ZINC001071460988 782761995 /nfs/dbraw/zinc/76/19/95/782761995.db2.gz POHFBBJNAAEIFH-CABZTGNLSA-N 1 2 296.371 -1.081 20 0 CAADLO C[C@@H]1CC[C@H](NC(=O)c2cn(C)nn2)C[N@@H+]1CC(N)=O ZINC001071467447 782762198 /nfs/dbraw/zinc/76/21/98/782762198.db2.gz RGYSJQTUFQHNGM-BDAKNGLRSA-N 1 2 280.332 -1.117 20 0 CAADLO C[C@@H]1CC[C@H](NC(=O)c2cn(C)nn2)C[N@H+]1CC(N)=O ZINC001071467447 782762203 /nfs/dbraw/zinc/76/22/03/782762203.db2.gz RGYSJQTUFQHNGM-BDAKNGLRSA-N 1 2 280.332 -1.117 20 0 CAADLO CC(=O)N1CC(C(=O)N[C@@H]2CC[C@@H](C)[N@@H+](CC(N)=O)C2)C1 ZINC001071460987 782762376 /nfs/dbraw/zinc/76/23/76/782762376.db2.gz POHFBBJNAAEIFH-BXKDBHETSA-N 1 2 296.371 -1.081 20 0 CAADLO CC(=O)N1CC(C(=O)N[C@@H]2CC[C@@H](C)[N@H+](CC(N)=O)C2)C1 ZINC001071460987 782762386 /nfs/dbraw/zinc/76/23/86/782762386.db2.gz POHFBBJNAAEIFH-BXKDBHETSA-N 1 2 296.371 -1.081 20 0 CAADLO C[C@@H]1CC[C@@H](NC(=O)c2ncn(C)n2)C[N@@H+]1CC(N)=O ZINC001071488750 782763393 /nfs/dbraw/zinc/76/33/93/782763393.db2.gz WEPRGLKNUXPTQB-RKDXNWHRSA-N 1 2 280.332 -1.117 20 0 CAADLO C[C@@H]1CC[C@@H](NC(=O)c2ncn(C)n2)C[N@H+]1CC(N)=O ZINC001071488750 782763404 /nfs/dbraw/zinc/76/34/04/782763404.db2.gz WEPRGLKNUXPTQB-RKDXNWHRSA-N 1 2 280.332 -1.117 20 0 CAADLO C[C@@H]1CC[C@@H](NC(=O)Cn2ncnn2)C[N@@H+]1CC(N)=O ZINC001071514469 782763416 /nfs/dbraw/zinc/76/34/16/782763416.db2.gz MQBQZZSLFCVFAJ-RKDXNWHRSA-N 1 2 281.320 -1.873 20 0 CAADLO C[C@@H]1CC[C@@H](NC(=O)Cn2ncnn2)C[N@H+]1CC(N)=O ZINC001071514469 782763424 /nfs/dbraw/zinc/76/34/24/782763424.db2.gz MQBQZZSLFCVFAJ-RKDXNWHRSA-N 1 2 281.320 -1.873 20 0 CAADLO C[C@H]1CC[C@H](NC(=O)c2cnnn2C)C[N@@H+]1CC(N)=O ZINC001071482277 782763548 /nfs/dbraw/zinc/76/35/48/782763548.db2.gz WRSYNYQRBBCHCG-IUCAKERBSA-N 1 2 280.332 -1.117 20 0 CAADLO C[C@H]1CC[C@H](NC(=O)c2cnnn2C)C[N@H+]1CC(N)=O ZINC001071482277 782763554 /nfs/dbraw/zinc/76/35/54/782763554.db2.gz WRSYNYQRBBCHCG-IUCAKERBSA-N 1 2 280.332 -1.117 20 0 CAADLO C[C@@H]1CC[C@H](NC(=O)Cn2ncnn2)C[N@@H+]1CC(N)=O ZINC001071514426 782763976 /nfs/dbraw/zinc/76/39/76/782763976.db2.gz MQBQZZSLFCVFAJ-BDAKNGLRSA-N 1 2 281.320 -1.873 20 0 CAADLO C[C@@H]1CC[C@H](NC(=O)Cn2ncnn2)C[N@H+]1CC(N)=O ZINC001071514426 782763984 /nfs/dbraw/zinc/76/39/84/782763984.db2.gz MQBQZZSLFCVFAJ-BDAKNGLRSA-N 1 2 281.320 -1.873 20 0 CAADLO C[C@H]1CC[C@@H](NC(=O)C2CS(=O)(=O)C2)C[N@@H+]1CCO ZINC001071531499 782765435 /nfs/dbraw/zinc/76/54/35/782765435.db2.gz MJHZAHNIZBQTAH-GXSJLCMTSA-N 1 2 290.385 -1.008 20 0 CAADLO C[C@H]1CC[C@@H](NC(=O)C2CS(=O)(=O)C2)C[N@H+]1CCO ZINC001071531499 782765439 /nfs/dbraw/zinc/76/54/39/782765439.db2.gz MJHZAHNIZBQTAH-GXSJLCMTSA-N 1 2 290.385 -1.008 20 0 CAADLO O=C(NC[C@H]1C[N@@H+]2CCN1CCC2)c1ncn[nH]1 ZINC000394811653 782766186 /nfs/dbraw/zinc/76/61/86/782766186.db2.gz SREUXTFKGKYORW-VIFPVBQESA-N 1 2 250.306 -1.076 20 0 CAADLO O=C(NC[C@H]1C[N@H+]2CCN1CCC2)c1ncn[nH]1 ZINC000394811653 782766199 /nfs/dbraw/zinc/76/61/99/782766199.db2.gz SREUXTFKGKYORW-VIFPVBQESA-N 1 2 250.306 -1.076 20 0 CAADLO CC(=O)N[C@H]1CC[C@@H](C)[N@@H+](CC(=O)N2CCNC(=O)C2)C1 ZINC001071286107 782761274 /nfs/dbraw/zinc/76/12/74/782761274.db2.gz PORKFFJBAXQQDM-PWSUYJOCSA-N 1 2 296.371 -1.066 20 0 CAADLO CC(=O)N[C@H]1CC[C@@H](C)[N@H+](CC(=O)N2CCNC(=O)C2)C1 ZINC001071286107 782761282 /nfs/dbraw/zinc/76/12/82/782761282.db2.gz PORKFFJBAXQQDM-PWSUYJOCSA-N 1 2 296.371 -1.066 20 0 CAADLO C[C@@H]1CC[C@H](NC(=O)c2c[nH]c(=O)cn2)C[N@@H+]1CC(N)=O ZINC001071775763 782767653 /nfs/dbraw/zinc/76/76/53/782767653.db2.gz HUVOCSMBWOAWOT-BDAKNGLRSA-N 1 2 293.327 -1.162 20 0 CAADLO C[C@@H]1CC[C@H](NC(=O)c2c[nH]c(=O)cn2)C[N@H+]1CC(N)=O ZINC001071775763 782767659 /nfs/dbraw/zinc/76/76/59/782767659.db2.gz HUVOCSMBWOAWOT-BDAKNGLRSA-N 1 2 293.327 -1.162 20 0 CAADLO C[C@@H]1CC[C@@H](NC(=O)c2c[nH]c(=O)cn2)C[N@@H+]1CC(N)=O ZINC001071775766 782768245 /nfs/dbraw/zinc/76/82/45/782768245.db2.gz HUVOCSMBWOAWOT-RKDXNWHRSA-N 1 2 293.327 -1.162 20 0 CAADLO C[C@@H]1CC[C@@H](NC(=O)c2c[nH]c(=O)cn2)C[N@H+]1CC(N)=O ZINC001071775766 782768253 /nfs/dbraw/zinc/76/82/53/782768253.db2.gz HUVOCSMBWOAWOT-RKDXNWHRSA-N 1 2 293.327 -1.162 20 0 CAADLO C[C@H]1CC[C@H](NC(=O)c2nnn(C)n2)C[N@@H+]1CC(N)=O ZINC001071743898 782768394 /nfs/dbraw/zinc/76/83/94/782768394.db2.gz HETBRNKBSRAASN-YUMQZZPRSA-N 1 2 281.320 -1.722 20 0 CAADLO C[C@H]1CC[C@H](NC(=O)c2nnn(C)n2)C[N@H+]1CC(N)=O ZINC001071743898 782768399 /nfs/dbraw/zinc/76/83/99/782768399.db2.gz HETBRNKBSRAASN-YUMQZZPRSA-N 1 2 281.320 -1.722 20 0 CAADLO C[C@H]1CC[C@@H](NC(=O)C(N)=O)C[N@@H+]1CC(=O)NC1CC1 ZINC001071789125 782769558 /nfs/dbraw/zinc/76/95/58/782769558.db2.gz OTFSDTNJGPMCIH-WCBMZHEXSA-N 1 2 282.344 -1.281 20 0 CAADLO C[C@H]1CC[C@@H](NC(=O)C(N)=O)C[N@H+]1CC(=O)NC1CC1 ZINC001071789125 782769566 /nfs/dbraw/zinc/76/95/66/782769566.db2.gz OTFSDTNJGPMCIH-WCBMZHEXSA-N 1 2 282.344 -1.281 20 0 CAADLO C[C@@H]1CC[C@@H](NC(=O)C(N)=O)C[N@@H+]1CC(=O)N(C)C ZINC001071787816 782769832 /nfs/dbraw/zinc/76/98/32/782769832.db2.gz DZCZJDSTPUTUHU-RKDXNWHRSA-N 1 2 270.333 -1.471 20 0 CAADLO C[C@@H]1CC[C@@H](NC(=O)C(N)=O)C[N@H+]1CC(=O)N(C)C ZINC001071787816 782769836 /nfs/dbraw/zinc/76/98/36/782769836.db2.gz DZCZJDSTPUTUHU-RKDXNWHRSA-N 1 2 270.333 -1.471 20 0 CAADLO C[C@H]1CC[C@@H](NC(=O)c2cnn(C)n2)C[N@@H+]1CC(N)=O ZINC001071892360 782770982 /nfs/dbraw/zinc/77/09/82/782770982.db2.gz FGHQXOVNRSCANH-DTWKUNHWSA-N 1 2 280.332 -1.117 20 0 CAADLO C[C@H]1CC[C@@H](NC(=O)c2cnn(C)n2)C[N@H+]1CC(N)=O ZINC001071892360 782770989 /nfs/dbraw/zinc/77/09/89/782770989.db2.gz FGHQXOVNRSCANH-DTWKUNHWSA-N 1 2 280.332 -1.117 20 0 CAADLO C[C@@H]1CC[C@@H](NC(=O)Cc2nc[nH]n2)C[N@@H+]1CC(N)=O ZINC001071974390 782772107 /nfs/dbraw/zinc/77/21/07/782772107.db2.gz MXHGPOSFMGHELW-RKDXNWHRSA-N 1 2 280.332 -1.198 20 0 CAADLO C[C@@H]1CC[C@@H](NC(=O)Cc2nc[nH]n2)C[N@H+]1CC(N)=O ZINC001071974390 782772115 /nfs/dbraw/zinc/77/21/15/782772115.db2.gz MXHGPOSFMGHELW-RKDXNWHRSA-N 1 2 280.332 -1.198 20 0 CAADLO C[C@H]1CC[C@@H](NC(=O)Cc2nc[nH]n2)C[N@@H+]1CC(N)=O ZINC001071974386 782772700 /nfs/dbraw/zinc/77/27/00/782772700.db2.gz MXHGPOSFMGHELW-DTWKUNHWSA-N 1 2 280.332 -1.198 20 0 CAADLO C[C@H]1CC[C@@H](NC(=O)Cc2nc[nH]n2)C[N@H+]1CC(N)=O ZINC001071974386 782772703 /nfs/dbraw/zinc/77/27/03/782772703.db2.gz MXHGPOSFMGHELW-DTWKUNHWSA-N 1 2 280.332 -1.198 20 0 CAADLO Cn1cnnc1C[N@@H+]1CCC2(CN(C(=O)CC(N)=O)C2)C1 ZINC001072565285 782777639 /nfs/dbraw/zinc/77/76/39/782777639.db2.gz RFUQDWUVQATFDU-UHFFFAOYSA-N 1 2 292.343 -1.275 20 0 CAADLO Cn1cnnc1C[N@H+]1CCC2(CN(C(=O)CC(N)=O)C2)C1 ZINC001072565285 782777644 /nfs/dbraw/zinc/77/76/44/782777644.db2.gz RFUQDWUVQATFDU-UHFFFAOYSA-N 1 2 292.343 -1.275 20 0 CAADLO C[C@@H]1CN(C(=O)C(N)=O)C[C@H]1NC(=O)CCc1c[nH]c[nH+]1 ZINC001072640324 782779614 /nfs/dbraw/zinc/77/96/14/782779614.db2.gz AQTCNXFARRKMMN-PSASIEDQSA-N 1 2 293.327 -1.209 20 0 CAADLO C[C@@H]1CN(C(=O)C(N)=O)C[C@H]1NC(=O)CCc1c[nH+]c[nH]1 ZINC001072640324 782779619 /nfs/dbraw/zinc/77/96/19/782779619.db2.gz AQTCNXFARRKMMN-PSASIEDQSA-N 1 2 293.327 -1.209 20 0 CAADLO C[C@H]1CN(C(=O)C(N)=O)C[C@@H]1NC(=O)CCc1c[nH]c[nH+]1 ZINC001072640327 782779795 /nfs/dbraw/zinc/77/97/95/782779795.db2.gz AQTCNXFARRKMMN-WPRPVWTQSA-N 1 2 293.327 -1.209 20 0 CAADLO C[C@H]1CN(C(=O)C(N)=O)C[C@@H]1NC(=O)CCc1c[nH+]c[nH]1 ZINC001072640327 782779803 /nfs/dbraw/zinc/77/98/03/782779803.db2.gz AQTCNXFARRKMMN-WPRPVWTQSA-N 1 2 293.327 -1.209 20 0 CAADLO C[C@@H]1CN(C(=O)C(N)=O)C[C@@H]1NC(=O)CCc1c[nH]c[nH+]1 ZINC001072640325 782780102 /nfs/dbraw/zinc/78/01/02/782780102.db2.gz AQTCNXFARRKMMN-SCZZXKLOSA-N 1 2 293.327 -1.209 20 0 CAADLO C[C@@H]1CN(C(=O)C(N)=O)C[C@@H]1NC(=O)CCc1c[nH+]c[nH]1 ZINC001072640325 782780108 /nfs/dbraw/zinc/78/01/08/782780108.db2.gz AQTCNXFARRKMMN-SCZZXKLOSA-N 1 2 293.327 -1.209 20 0 CAADLO C[C@H]1CN(C(=O)C(N)=O)C[C@H]1NC(=O)CCc1c[nH]c[nH+]1 ZINC001072640326 782780638 /nfs/dbraw/zinc/78/06/38/782780638.db2.gz AQTCNXFARRKMMN-WCBMZHEXSA-N 1 2 293.327 -1.209 20 0 CAADLO C[C@H]1CN(C(=O)C(N)=O)C[C@H]1NC(=O)CCc1c[nH+]c[nH]1 ZINC001072640326 782780646 /nfs/dbraw/zinc/78/06/46/782780646.db2.gz AQTCNXFARRKMMN-WCBMZHEXSA-N 1 2 293.327 -1.209 20 0 CAADLO C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1NC(=O)CC(N)=O ZINC001072798532 782783696 /nfs/dbraw/zinc/78/36/96/782783696.db2.gz NQIWRDNGRYQBQH-WPRPVWTQSA-N 1 2 293.327 -1.209 20 0 CAADLO C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1NC(=O)CC(N)=O ZINC001072798531 782784629 /nfs/dbraw/zinc/78/46/29/782784629.db2.gz NQIWRDNGRYQBQH-WCBMZHEXSA-N 1 2 293.327 -1.209 20 0 CAADLO Cn1[nH]c(C[N@@H+]2CCC3(CN(C(=O)C(N)=O)C3)C2)nc1=O ZINC001072934789 782785896 /nfs/dbraw/zinc/78/58/96/782785896.db2.gz UVJSRDCBKHVTHG-UHFFFAOYSA-N 1 2 294.315 -2.372 20 0 CAADLO Cn1[nH]c(C[N@H+]2CCC3(CN(C(=O)C(N)=O)C3)C2)nc1=O ZINC001072934789 782785904 /nfs/dbraw/zinc/78/59/04/782785904.db2.gz UVJSRDCBKHVTHG-UHFFFAOYSA-N 1 2 294.315 -2.372 20 0 CAADLO Cc1nnc(C[N@@H+]2CCC3(CN(C(=O)C(N)=O)C3)C2)o1 ZINC001072934865 782786325 /nfs/dbraw/zinc/78/63/25/782786325.db2.gz ZFKJUWAZOIBLRN-UHFFFAOYSA-N 1 2 279.300 -1.102 20 0 CAADLO Cc1nnc(C[N@H+]2CCC3(CN(C(=O)C(N)=O)C3)C2)o1 ZINC001072934865 782786330 /nfs/dbraw/zinc/78/63/30/782786330.db2.gz ZFKJUWAZOIBLRN-UHFFFAOYSA-N 1 2 279.300 -1.102 20 0 CAADLO C[C@H](c1nnnn1C)[N@@H+]1CCC2(CN(C(=O)C(N)=O)C2)C1 ZINC001072935982 782786389 /nfs/dbraw/zinc/78/63/89/782786389.db2.gz KYNRESJALUHPSL-MRVPVSSYSA-N 1 2 293.331 -1.709 20 0 CAADLO C[C@H](c1nnnn1C)[N@H+]1CCC2(CN(C(=O)C(N)=O)C2)C1 ZINC001072935982 782786395 /nfs/dbraw/zinc/78/63/95/782786395.db2.gz KYNRESJALUHPSL-MRVPVSSYSA-N 1 2 293.331 -1.709 20 0 CAADLO Cc1noc(C[N@@H+]2CCC3(CN(C(=O)C(N)=O)C3)C2)n1 ZINC001072934428 782786456 /nfs/dbraw/zinc/78/64/56/782786456.db2.gz CZCJJLGOSVDVPK-UHFFFAOYSA-N 1 2 279.300 -1.102 20 0 CAADLO Cc1noc(C[N@H+]2CCC3(CN(C(=O)C(N)=O)C3)C2)n1 ZINC001072934428 782786458 /nfs/dbraw/zinc/78/64/58/782786458.db2.gz CZCJJLGOSVDVPK-UHFFFAOYSA-N 1 2 279.300 -1.102 20 0 CAADLO CCn1ncnc1C[N@@H+]1CCC2(CN(C(=O)C(N)=O)C2)C1 ZINC001072934767 782786593 /nfs/dbraw/zinc/78/65/93/782786593.db2.gz UAXHHTIJKNLIKM-UHFFFAOYSA-N 1 2 292.343 -1.182 20 0 CAADLO CCn1ncnc1C[N@H+]1CCC2(CN(C(=O)C(N)=O)C2)C1 ZINC001072934767 782786600 /nfs/dbraw/zinc/78/66/00/782786600.db2.gz UAXHHTIJKNLIKM-UHFFFAOYSA-N 1 2 292.343 -1.182 20 0 CAADLO CCn1ncc(C[N@@H+]2CCC3(CN(C(=O)C(N)=O)C3)C2)n1 ZINC001072934813 782787232 /nfs/dbraw/zinc/78/72/32/782787232.db2.gz WAHJEUJIWVMMAE-UHFFFAOYSA-N 1 2 292.343 -1.182 20 0 CAADLO CCn1ncc(C[N@H+]2CCC3(CN(C(=O)C(N)=O)C3)C2)n1 ZINC001072934813 782787237 /nfs/dbraw/zinc/78/72/37/782787237.db2.gz WAHJEUJIWVMMAE-UHFFFAOYSA-N 1 2 292.343 -1.182 20 0 CAADLO NC(=O)C[N@@H+]1CCC2(CN(C(=O)CCc3cn[nH]n3)C2)C1 ZINC001072996231 782789163 /nfs/dbraw/zinc/78/91/63/782789163.db2.gz VHGZFGOPJOFRFJ-UHFFFAOYSA-N 1 2 292.343 -1.243 20 0 CAADLO NC(=O)C[N@H+]1CCC2(CN(C(=O)CCc3cn[nH]n3)C2)C1 ZINC001072996231 782789170 /nfs/dbraw/zinc/78/91/70/782789170.db2.gz VHGZFGOPJOFRFJ-UHFFFAOYSA-N 1 2 292.343 -1.243 20 0 CAADLO NC(=O)C[N@@H+]1CCC2(CN(C(=O)CCc3c[nH]nn3)C2)C1 ZINC001072996231 782789177 /nfs/dbraw/zinc/78/91/77/782789177.db2.gz VHGZFGOPJOFRFJ-UHFFFAOYSA-N 1 2 292.343 -1.243 20 0 CAADLO NC(=O)C[N@H+]1CCC2(CN(C(=O)CCc3c[nH]nn3)C2)C1 ZINC001072996231 782789182 /nfs/dbraw/zinc/78/91/82/782789182.db2.gz VHGZFGOPJOFRFJ-UHFFFAOYSA-N 1 2 292.343 -1.243 20 0 CAADLO CC1(NC(=O)C(N)=O)CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001073215281 782790104 /nfs/dbraw/zinc/79/01/04/782790104.db2.gz LRBOKYSQPGENNE-UHFFFAOYSA-N 1 2 293.327 -1.065 20 0 CAADLO CC1(NC(=O)Cn2cc[nH+]c2)CCN(C(=O)C(N)=O)CC1 ZINC001073228158 782790447 /nfs/dbraw/zinc/79/04/47/782790447.db2.gz OGCCFEYCPXWJGK-UHFFFAOYSA-N 1 2 293.327 -1.134 20 0 CAADLO NC(=O)C[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2CCOC2)C1 ZINC001073550267 782791967 /nfs/dbraw/zinc/79/19/67/782791967.db2.gz HPLSIRFJOXLAII-WDEREUQCSA-N 1 2 285.344 -1.285 20 0 CAADLO NC(=O)C[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CCOC2)C1 ZINC001073550267 782791970 /nfs/dbraw/zinc/79/19/70/782791970.db2.gz HPLSIRFJOXLAII-WDEREUQCSA-N 1 2 285.344 -1.285 20 0 CAADLO CNC(=O)C[N@@H+]1CCCO[C@@H](CNC(=O)c2ccn[nH]2)C1 ZINC001073543774 782792468 /nfs/dbraw/zinc/79/24/68/782792468.db2.gz OVNJBBOIXAXLSG-JTQLQIEISA-N 1 2 295.343 -1.024 20 0 CAADLO CNC(=O)C[N@H+]1CCCO[C@@H](CNC(=O)c2ccn[nH]2)C1 ZINC001073543774 782792474 /nfs/dbraw/zinc/79/24/74/782792474.db2.gz OVNJBBOIXAXLSG-JTQLQIEISA-N 1 2 295.343 -1.024 20 0 CAADLO Cn1cc(C(=O)NC[C@H]2C[N@H+](CC(N)=O)CCCO2)cn1 ZINC001073530004 782792611 /nfs/dbraw/zinc/79/26/11/782792611.db2.gz FXMHBINAHPUKSC-NSHDSACASA-N 1 2 295.343 -1.274 20 0 CAADLO Cn1cc(C(=O)NC[C@H]2C[N@@H+](CC(N)=O)CCCO2)cn1 ZINC001073530004 782792617 /nfs/dbraw/zinc/79/26/17/782792617.db2.gz FXMHBINAHPUKSC-NSHDSACASA-N 1 2 295.343 -1.274 20 0 CAADLO Cn1nnc(C(=O)NC[C@@H]2C[N@H+](CC(N)=O)CCCO2)n1 ZINC001073733653 782798502 /nfs/dbraw/zinc/79/85/02/782798502.db2.gz HESDYXJUNRHVQL-MRVPVSSYSA-N 1 2 297.319 -2.484 20 0 CAADLO Cn1nnc(C(=O)NC[C@@H]2C[N@@H+](CC(N)=O)CCCO2)n1 ZINC001073733653 782798511 /nfs/dbraw/zinc/79/85/11/782798511.db2.gz HESDYXJUNRHVQL-MRVPVSSYSA-N 1 2 297.319 -2.484 20 0 CAADLO NC(=O)c1c[nH]c(C(=O)N2CC[NH+](CCO)CC2)c1 ZINC000154951386 782792827 /nfs/dbraw/zinc/79/28/27/782792827.db2.gz WXFGHOOTYLELCI-UHFFFAOYSA-N 1 2 266.301 -1.136 20 0 CAADLO NC(=O)C[N@@H+]1CCCO[C@@H](CNC(=O)c2ccn[nH]2)C1 ZINC001073543873 782792878 /nfs/dbraw/zinc/79/28/78/782792878.db2.gz RLLQNYDEWIQRIK-VIFPVBQESA-N 1 2 281.316 -1.284 20 0 CAADLO NC(=O)C[N@H+]1CCCO[C@@H](CNC(=O)c2ccn[nH]2)C1 ZINC001073543873 782792882 /nfs/dbraw/zinc/79/28/82/782792882.db2.gz RLLQNYDEWIQRIK-VIFPVBQESA-N 1 2 281.316 -1.284 20 0 CAADLO CNC(=O)C[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCOC2)C1 ZINC001073546030 782792930 /nfs/dbraw/zinc/79/29/30/782792930.db2.gz XRKWSNGEQLJBCD-RYUDHWBXSA-N 1 2 299.371 -1.024 20 0 CAADLO CNC(=O)C[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCOC2)C1 ZINC001073546030 782792933 /nfs/dbraw/zinc/79/29/33/782792933.db2.gz XRKWSNGEQLJBCD-RYUDHWBXSA-N 1 2 299.371 -1.024 20 0 CAADLO NC(=O)C[N@@H+]1CCCO[C@@H](CNC(=O)C2=COCCO2)C1 ZINC001073518957 782792941 /nfs/dbraw/zinc/79/29/41/782792941.db2.gz BFMOUXDOQZQMEM-JTQLQIEISA-N 1 2 299.327 -1.433 20 0 CAADLO NC(=O)C[N@H+]1CCCO[C@@H](CNC(=O)C2=COCCO2)C1 ZINC001073518957 782792950 /nfs/dbraw/zinc/79/29/50/782792950.db2.gz BFMOUXDOQZQMEM-JTQLQIEISA-N 1 2 299.327 -1.433 20 0 CAADLO NC(=O)C[N@@H+]1CCCO[C@@H](CNC(=O)c2cnsn2)C1 ZINC001073541733 782793069 /nfs/dbraw/zinc/79/30/69/782793069.db2.gz WVGWOMWGMSVCIP-QMMMGPOBSA-N 1 2 299.356 -1.156 20 0 CAADLO NC(=O)C[N@H+]1CCCO[C@@H](CNC(=O)c2cnsn2)C1 ZINC001073541733 782793074 /nfs/dbraw/zinc/79/30/74/782793074.db2.gz WVGWOMWGMSVCIP-QMMMGPOBSA-N 1 2 299.356 -1.156 20 0 CAADLO CNC(=O)C[N@@H+]1CCCO[C@@H](CNC(=O)c2cn[nH]c2)C1 ZINC001073545165 782793259 /nfs/dbraw/zinc/79/32/59/782793259.db2.gz MAJFTPUFHWLSJF-NSHDSACASA-N 1 2 295.343 -1.024 20 0 CAADLO CNC(=O)C[N@H+]1CCCO[C@@H](CNC(=O)c2cn[nH]c2)C1 ZINC001073545165 782793267 /nfs/dbraw/zinc/79/32/67/782793267.db2.gz MAJFTPUFHWLSJF-NSHDSACASA-N 1 2 295.343 -1.024 20 0 CAADLO Cn1cnc(C(=O)NC[C@H]2C[N@H+](CC(N)=O)CCCO2)c1 ZINC001073577229 782793722 /nfs/dbraw/zinc/79/37/22/782793722.db2.gz SOFCXMXSLUZLQZ-JTQLQIEISA-N 1 2 295.343 -1.274 20 0 CAADLO Cn1cnc(C(=O)NC[C@H]2C[N@@H+](CC(N)=O)CCCO2)c1 ZINC001073577229 782793727 /nfs/dbraw/zinc/79/37/27/782793727.db2.gz SOFCXMXSLUZLQZ-JTQLQIEISA-N 1 2 295.343 -1.274 20 0 CAADLO Cn1cc(C(=O)NC[C@@H]2C[N@H+](CC(N)=O)CCCO2)nn1 ZINC001073591054 782793799 /nfs/dbraw/zinc/79/37/99/782793799.db2.gz CPSJDIHRIIFRII-SECBINFHSA-N 1 2 296.331 -1.879 20 0 CAADLO Cn1cc(C(=O)NC[C@@H]2C[N@@H+](CC(N)=O)CCCO2)nn1 ZINC001073591054 782793804 /nfs/dbraw/zinc/79/38/04/782793804.db2.gz CPSJDIHRIIFRII-SECBINFHSA-N 1 2 296.331 -1.879 20 0 CAADLO NC(=O)C[N@@H+]1CCCO[C@H](CNC(=O)[C@]23C[C@H]2COC3)C1 ZINC001073613550 782794330 /nfs/dbraw/zinc/79/43/30/782794330.db2.gz KMBVWGUHURZCBK-WDMOLILDSA-N 1 2 297.355 -1.285 20 0 CAADLO NC(=O)C[N@H+]1CCCO[C@H](CNC(=O)[C@]23C[C@H]2COC3)C1 ZINC001073613550 782794339 /nfs/dbraw/zinc/79/43/39/782794339.db2.gz KMBVWGUHURZCBK-WDMOLILDSA-N 1 2 297.355 -1.285 20 0 CAADLO NC(=O)C[N@@H+]1CCCO[C@@H](CNC(=O)c2ncc[nH]2)C1 ZINC001073602361 782794754 /nfs/dbraw/zinc/79/47/54/782794754.db2.gz VZHSSOMTUXKYIE-VIFPVBQESA-N 1 2 281.316 -1.284 20 0 CAADLO NC(=O)C[N@H+]1CCCO[C@@H](CNC(=O)c2ncc[nH]2)C1 ZINC001073602361 782794759 /nfs/dbraw/zinc/79/47/59/782794759.db2.gz VZHSSOMTUXKYIE-VIFPVBQESA-N 1 2 281.316 -1.284 20 0 CAADLO NC(=O)C[N@@H+]1CCCO[C@@H](CNC(=O)c2cncnc2)C1 ZINC001073582550 782794839 /nfs/dbraw/zinc/79/48/39/782794839.db2.gz OKXUMYWVDYIJPB-NSHDSACASA-N 1 2 293.327 -1.217 20 0 CAADLO NC(=O)C[N@H+]1CCCO[C@@H](CNC(=O)c2cncnc2)C1 ZINC001073582550 782794846 /nfs/dbraw/zinc/79/48/46/782794846.db2.gz OKXUMYWVDYIJPB-NSHDSACASA-N 1 2 293.327 -1.217 20 0 CAADLO NC(=O)C[N@@H+]1CCCO[C@H](CNC(=O)c2ncc[nH]2)C1 ZINC001073602360 782794937 /nfs/dbraw/zinc/79/49/37/782794937.db2.gz VZHSSOMTUXKYIE-SECBINFHSA-N 1 2 281.316 -1.284 20 0 CAADLO NC(=O)C[N@H+]1CCCO[C@H](CNC(=O)c2ncc[nH]2)C1 ZINC001073602360 782794947 /nfs/dbraw/zinc/79/49/47/782794947.db2.gz VZHSSOMTUXKYIE-SECBINFHSA-N 1 2 281.316 -1.284 20 0 CAADLO NC(=O)C[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCNC2=O)C1 ZINC001073726182 782795590 /nfs/dbraw/zinc/79/55/90/782795590.db2.gz FYGUUUZOURZRKH-VHSXEESVSA-N 1 2 298.343 -2.185 20 0 CAADLO NC(=O)C[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCNC2=O)C1 ZINC001073726182 782795597 /nfs/dbraw/zinc/79/55/97/782795597.db2.gz FYGUUUZOURZRKH-VHSXEESVSA-N 1 2 298.343 -2.185 20 0 CAADLO NC(=O)C[N@@H+]1CCCO[C@@H](CNC(=O)c2cnco2)C1 ZINC001073717019 782795689 /nfs/dbraw/zinc/79/56/89/782795689.db2.gz SYEYQFQZJAJQRZ-VIFPVBQESA-N 1 2 282.300 -1.019 20 0 CAADLO NC(=O)C[N@H+]1CCCO[C@@H](CNC(=O)c2cnco2)C1 ZINC001073717019 782795697 /nfs/dbraw/zinc/79/56/97/782795697.db2.gz SYEYQFQZJAJQRZ-VIFPVBQESA-N 1 2 282.300 -1.019 20 0 CAADLO O=C(NC[C@@H]1C[N@H+](CCO)CCCO1)c1nc[nH]n1 ZINC001073825123 782798785 /nfs/dbraw/zinc/79/87/85/782798785.db2.gz FKFPUHHRZOMTDU-SECBINFHSA-N 1 2 269.305 -1.382 20 0 CAADLO NC(=O)C[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2CCNC2=O)C1 ZINC001073726183 782797031 /nfs/dbraw/zinc/79/70/31/782797031.db2.gz FYGUUUZOURZRKH-ZJUUUORDSA-N 1 2 298.343 -2.185 20 0 CAADLO NC(=O)C[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CCNC2=O)C1 ZINC001073726183 782797038 /nfs/dbraw/zinc/79/70/38/782797038.db2.gz FYGUUUZOURZRKH-ZJUUUORDSA-N 1 2 298.343 -2.185 20 0 CAADLO O=C(NC[C@@H]1C[N@@H+](CCO)CCCO1)c1nc[nH]n1 ZINC001073825123 782798792 /nfs/dbraw/zinc/79/87/92/782798792.db2.gz FKFPUHHRZOMTDU-SECBINFHSA-N 1 2 269.305 -1.382 20 0 CAADLO NC(=O)C[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001073775625 782798048 /nfs/dbraw/zinc/79/80/48/782798048.db2.gz YJHSVJXXJLARGN-BBBLOLIVSA-N 1 2 298.343 -2.200 20 0 CAADLO NC(=O)C[N@H+]1CCCO[C@H](CNC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001073775625 782798058 /nfs/dbraw/zinc/79/80/58/782798058.db2.gz YJHSVJXXJLARGN-BBBLOLIVSA-N 1 2 298.343 -2.200 20 0 CAADLO NC(=O)C[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001073734039 782798287 /nfs/dbraw/zinc/79/82/87/782798287.db2.gz NINWWTPJWRNUJE-MEWQQHAOSA-N 1 2 297.355 -1.429 20 0 CAADLO NC(=O)C[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001073734039 782798295 /nfs/dbraw/zinc/79/82/95/782798295.db2.gz NINWWTPJWRNUJE-MEWQQHAOSA-N 1 2 297.355 -1.429 20 0 CAADLO NC(=O)C[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001073751926 782798354 /nfs/dbraw/zinc/79/83/54/782798354.db2.gz LGALTSRGQNXFAO-IUCAKERBSA-N 1 2 299.331 -2.640 20 0 CAADLO NC(=O)C[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001073751926 782798359 /nfs/dbraw/zinc/79/83/59/782798359.db2.gz LGALTSRGQNXFAO-IUCAKERBSA-N 1 2 299.331 -2.640 20 0 CAADLO NC(=O)C[N@@H+]1CCCO[C@@H](CNC(=O)c2n[nH]cc2F)C1 ZINC001073758459 782799245 /nfs/dbraw/zinc/79/92/45/782799245.db2.gz NJTXQUXEYGCDTA-QMMMGPOBSA-N 1 2 299.306 -1.145 20 0 CAADLO NC(=O)C[N@H+]1CCCO[C@@H](CNC(=O)c2n[nH]cc2F)C1 ZINC001073758459 782799250 /nfs/dbraw/zinc/79/92/50/782799250.db2.gz NJTXQUXEYGCDTA-QMMMGPOBSA-N 1 2 299.306 -1.145 20 0 CAADLO NC(=O)C[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001073863650 782800002 /nfs/dbraw/zinc/80/00/02/782800002.db2.gz XNVHQLYWXSPSOV-UWVGGRQHSA-N 1 2 298.343 -2.043 20 0 CAADLO NC(=O)C[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001073863650 782800009 /nfs/dbraw/zinc/80/00/09/782800009.db2.gz XNVHQLYWXSPSOV-UWVGGRQHSA-N 1 2 298.343 -2.043 20 0 CAADLO Cc1nonc1C(=O)NC[C@H]1C[N@H+](CC(N)=O)CCCO1 ZINC001073911423 782800500 /nfs/dbraw/zinc/80/05/00/782800500.db2.gz QBPBSJAAHGKTEE-VIFPVBQESA-N 1 2 297.315 -1.316 20 0 CAADLO Cc1nonc1C(=O)NC[C@H]1C[N@@H+](CC(N)=O)CCCO1 ZINC001073911423 782800505 /nfs/dbraw/zinc/80/05/05/782800505.db2.gz QBPBSJAAHGKTEE-VIFPVBQESA-N 1 2 297.315 -1.316 20 0 CAADLO Cn1ccc(C(=O)NC[C@H]2C[N@H+](CC(N)=O)CCCO2)n1 ZINC001073890534 782800789 /nfs/dbraw/zinc/80/07/89/782800789.db2.gz FWYOIYZJHBQKCO-JTQLQIEISA-N 1 2 295.343 -1.274 20 0 CAADLO Cn1ccc(C(=O)NC[C@H]2C[N@@H+](CC(N)=O)CCCO2)n1 ZINC001073890534 782800792 /nfs/dbraw/zinc/80/07/92/782800792.db2.gz FWYOIYZJHBQKCO-JTQLQIEISA-N 1 2 295.343 -1.274 20 0 CAADLO Cc1nonc1C(=O)NC[C@@H]1C[N@H+](CC(N)=O)CCCO1 ZINC001073911422 782800889 /nfs/dbraw/zinc/80/08/89/782800889.db2.gz QBPBSJAAHGKTEE-SECBINFHSA-N 1 2 297.315 -1.316 20 0 CAADLO Cc1nonc1C(=O)NC[C@@H]1C[N@@H+](CC(N)=O)CCCO1 ZINC001073911422 782800893 /nfs/dbraw/zinc/80/08/93/782800893.db2.gz QBPBSJAAHGKTEE-SECBINFHSA-N 1 2 297.315 -1.316 20 0 CAADLO O=C(Cn1cnnn1)N1CC[C@H]2OCC[N@@H+](CCO)[C@H]2C1 ZINC001074159792 782801839 /nfs/dbraw/zinc/80/18/39/782801839.db2.gz KJVAGDRZZVTPOU-WDEREUQCSA-N 1 2 296.331 -2.033 20 0 CAADLO O=C(Cn1cnnn1)N1CC[C@H]2OCC[N@H+](CCO)[C@H]2C1 ZINC001074159792 782801846 /nfs/dbraw/zinc/80/18/46/782801846.db2.gz KJVAGDRZZVTPOU-WDEREUQCSA-N 1 2 296.331 -2.033 20 0 CAADLO CC[N@@H+]1CCO[C@H]2CCN(C(=O)Cn3cnnn3)C[C@H]21 ZINC001074159178 782802120 /nfs/dbraw/zinc/80/21/20/782802120.db2.gz AGESCQVLIXSDJY-MNOVXSKESA-N 1 2 280.332 -1.005 20 0 CAADLO CC[N@H+]1CCO[C@H]2CCN(C(=O)Cn3cnnn3)C[C@H]21 ZINC001074159178 782802123 /nfs/dbraw/zinc/80/21/23/782802123.db2.gz AGESCQVLIXSDJY-MNOVXSKESA-N 1 2 280.332 -1.005 20 0 CAADLO O=C(Cn1cnnn1)N1CC[C@@H]2OCC[N@@H+](CCO)[C@H]2C1 ZINC001074159791 782802296 /nfs/dbraw/zinc/80/22/96/782802296.db2.gz KJVAGDRZZVTPOU-QWRGUYRKSA-N 1 2 296.331 -2.033 20 0 CAADLO O=C(Cn1cnnn1)N1CC[C@@H]2OCC[N@H+](CCO)[C@H]2C1 ZINC001074159791 782802299 /nfs/dbraw/zinc/80/22/99/782802299.db2.gz KJVAGDRZZVTPOU-QWRGUYRKSA-N 1 2 296.331 -2.033 20 0 CAADLO O=C(Cn1cnnn1)N1CC[C@@H]2OCC[N@@H+](CCO)[C@@H]2C1 ZINC001074159790 782802412 /nfs/dbraw/zinc/80/24/12/782802412.db2.gz KJVAGDRZZVTPOU-MNOVXSKESA-N 1 2 296.331 -2.033 20 0 CAADLO O=C(Cn1cnnn1)N1CC[C@@H]2OCC[N@H+](CCO)[C@@H]2C1 ZINC001074159790 782802415 /nfs/dbraw/zinc/80/24/15/782802415.db2.gz KJVAGDRZZVTPOU-MNOVXSKESA-N 1 2 296.331 -2.033 20 0 CAADLO CC[N@@H+]1CCO[C@H]2CCN(C(=O)Cn3ncnn3)C[C@@H]21 ZINC001074242169 782802767 /nfs/dbraw/zinc/80/27/67/782802767.db2.gz TVJRHAIATPTKBE-QWRGUYRKSA-N 1 2 280.332 -1.005 20 0 CAADLO CC[N@H+]1CCO[C@H]2CCN(C(=O)Cn3ncnn3)C[C@@H]21 ZINC001074242169 782802780 /nfs/dbraw/zinc/80/27/80/782802780.db2.gz TVJRHAIATPTKBE-QWRGUYRKSA-N 1 2 280.332 -1.005 20 0 CAADLO CC[N@@H+]1CCO[C@@H]2CCN(C(=O)Cn3ncnn3)C[C@@H]21 ZINC001074242170 782802817 /nfs/dbraw/zinc/80/28/17/782802817.db2.gz TVJRHAIATPTKBE-WDEREUQCSA-N 1 2 280.332 -1.005 20 0 CAADLO CC[N@H+]1CCO[C@@H]2CCN(C(=O)Cn3ncnn3)C[C@@H]21 ZINC001074242170 782802825 /nfs/dbraw/zinc/80/28/25/782802825.db2.gz TVJRHAIATPTKBE-WDEREUQCSA-N 1 2 280.332 -1.005 20 0 CAADLO NC(=O)CC(=O)N1CC[C@@H]2OCC[N@H+](CCCO)[C@@H]2C1 ZINC001074196352 782803290 /nfs/dbraw/zinc/80/32/90/782803290.db2.gz KVIZIHIRWSUHFS-MNOVXSKESA-N 1 2 285.344 -1.454 20 0 CAADLO NC(=O)CC(=O)N1CC[C@@H]2OCC[N@@H+](CCCO)[C@@H]2C1 ZINC001074196352 782803295 /nfs/dbraw/zinc/80/32/95/782803295.db2.gz KVIZIHIRWSUHFS-MNOVXSKESA-N 1 2 285.344 -1.454 20 0 CAADLO NC(=O)CC(=O)N1CC[C@H]2OCC[N@H+](CCCO)[C@H]2C1 ZINC001074196354 782803434 /nfs/dbraw/zinc/80/34/34/782803434.db2.gz KVIZIHIRWSUHFS-WDEREUQCSA-N 1 2 285.344 -1.454 20 0 CAADLO NC(=O)CC(=O)N1CC[C@H]2OCC[N@@H+](CCCO)[C@H]2C1 ZINC001074196354 782803437 /nfs/dbraw/zinc/80/34/37/782803437.db2.gz KVIZIHIRWSUHFS-WDEREUQCSA-N 1 2 285.344 -1.454 20 0 CAADLO O=C(Cc1nnc[nH]1)N1CC[C@H]2OCC[N@@H+](CCO)[C@H]2C1 ZINC001074380850 782806119 /nfs/dbraw/zinc/80/61/19/782806119.db2.gz VNNGBBKZVNYMOX-WDEREUQCSA-N 1 2 295.343 -1.359 20 0 CAADLO O=C(Cc1nnc[nH]1)N1CC[C@H]2OCC[N@H+](CCO)[C@H]2C1 ZINC001074380850 782806122 /nfs/dbraw/zinc/80/61/22/782806122.db2.gz VNNGBBKZVNYMOX-WDEREUQCSA-N 1 2 295.343 -1.359 20 0 CAADLO C[C@@H]([NH2+][C@H]1CCN(C(=O)Cc2ncn[nH]2)[C@H]1C)C(N)=O ZINC001075026803 782814727 /nfs/dbraw/zinc/81/47/27/782814727.db2.gz SHYDJKSIHNHXAM-VGMNWLOBSA-N 1 2 280.332 -1.200 20 0 CAADLO CC(=O)N[C@@H]1CC[N@H+](CCCS(C)(=O)=O)C[C@@H]1O ZINC001099607011 782820273 /nfs/dbraw/zinc/82/02/73/782820273.db2.gz HBUKGAZGSSLCBB-MNOVXSKESA-N 1 2 278.374 -1.008 20 0 CAADLO CC(=O)N[C@@H]1CC[N@@H+](CCCS(C)(=O)=O)C[C@@H]1O ZINC001099607011 782820282 /nfs/dbraw/zinc/82/02/82/782820282.db2.gz HBUKGAZGSSLCBB-MNOVXSKESA-N 1 2 278.374 -1.008 20 0 CAADLO CNC(=O)NC(=O)C[N@@H+]1CC[C@@H](NC(=O)C2CC2)[C@@H](O)C1 ZINC001099606648 782820293 /nfs/dbraw/zinc/82/02/93/782820293.db2.gz AJKOWWGNKCKUSE-ZJUUUORDSA-N 1 2 298.343 -1.597 20 0 CAADLO CNC(=O)NC(=O)C[N@H+]1CC[C@@H](NC(=O)C2CC2)[C@@H](O)C1 ZINC001099606648 782820301 /nfs/dbraw/zinc/82/03/01/782820301.db2.gz AJKOWWGNKCKUSE-ZJUUUORDSA-N 1 2 298.343 -1.597 20 0 CAADLO NC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2cn[nH]n2)C1 ZINC001098918406 782817077 /nfs/dbraw/zinc/81/70/77/782817077.db2.gz LAZPYSSRUZKPET-UFBFGSQYSA-N 1 2 278.316 -1.126 20 0 CAADLO NC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2cn[nH]n2)C1 ZINC001098918406 782817081 /nfs/dbraw/zinc/81/70/81/782817081.db2.gz LAZPYSSRUZKPET-UFBFGSQYSA-N 1 2 278.316 -1.126 20 0 CAADLO CNC(=O)NC(=O)C[N@@H+]1CC[C@H](NC(=O)C2CC2)[C@H](O)C1 ZINC001099606647 782818866 /nfs/dbraw/zinc/81/88/66/782818866.db2.gz AJKOWWGNKCKUSE-VHSXEESVSA-N 1 2 298.343 -1.597 20 0 CAADLO CNC(=O)NC(=O)C[N@H+]1CC[C@H](NC(=O)C2CC2)[C@H](O)C1 ZINC001099606647 782818871 /nfs/dbraw/zinc/81/88/71/782818871.db2.gz AJKOWWGNKCKUSE-VHSXEESVSA-N 1 2 298.343 -1.597 20 0 CAADLO CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C(F)F)[C@@H](O)C1 ZINC001099606833 782819000 /nfs/dbraw/zinc/81/90/00/782819000.db2.gz DERRRMCNOMPWPC-SFYZADRCSA-N 1 2 279.287 -1.061 20 0 CAADLO CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)C(F)F)[C@@H](O)C1 ZINC001099606833 782819009 /nfs/dbraw/zinc/81/90/09/782819009.db2.gz DERRRMCNOMPWPC-SFYZADRCSA-N 1 2 279.287 -1.061 20 0 CAADLO CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)C(F)F)[C@@H](O)C1 ZINC001099606834 782819196 /nfs/dbraw/zinc/81/91/96/782819196.db2.gz DERRRMCNOMPWPC-YUMQZZPRSA-N 1 2 279.287 -1.061 20 0 CAADLO CCNC(=O)C[N@H+]1CC[C@H](NC(=O)C(F)F)[C@@H](O)C1 ZINC001099606834 782819205 /nfs/dbraw/zinc/81/92/05/782819205.db2.gz DERRRMCNOMPWPC-YUMQZZPRSA-N 1 2 279.287 -1.061 20 0 CAADLO CC(=O)N[C@@H]1CC[N@H+](CCCS(C)(=O)=O)C[C@H]1O ZINC001099607010 782819339 /nfs/dbraw/zinc/81/93/39/782819339.db2.gz HBUKGAZGSSLCBB-GHMZBOCLSA-N 1 2 278.374 -1.008 20 0 CAADLO CC(=O)N[C@@H]1CC[N@@H+](CCCS(C)(=O)=O)C[C@H]1O ZINC001099607010 782819345 /nfs/dbraw/zinc/81/93/45/782819345.db2.gz HBUKGAZGSSLCBB-GHMZBOCLSA-N 1 2 278.374 -1.008 20 0 CAADLO NC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2nnc[nH]2)C1 ZINC001099085561 782819533 /nfs/dbraw/zinc/81/95/33/782819533.db2.gz UUHJKILHTAMLEG-UFBFGSQYSA-N 1 2 278.316 -1.126 20 0 CAADLO NC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2nnc[nH]2)C1 ZINC001099085561 782819540 /nfs/dbraw/zinc/81/95/40/782819540.db2.gz UUHJKILHTAMLEG-UFBFGSQYSA-N 1 2 278.316 -1.126 20 0 CAADLO NC(=O)NC(=O)C[N@@H+]1CC[C@H](NC(=O)C2CC2)[C@@H](O)C1 ZINC001099607332 782819771 /nfs/dbraw/zinc/81/97/71/782819771.db2.gz LGZRZUBWIABWIX-IUCAKERBSA-N 1 2 284.316 -1.857 20 0 CAADLO NC(=O)NC(=O)C[N@H+]1CC[C@H](NC(=O)C2CC2)[C@@H](O)C1 ZINC001099607332 782819776 /nfs/dbraw/zinc/81/97/76/782819776.db2.gz LGZRZUBWIABWIX-IUCAKERBSA-N 1 2 284.316 -1.857 20 0 CAADLO CCC(=O)N[C@H]1CC[N@H+](CC(=O)NC(N)=O)C[C@H]1O ZINC001099605430 782819995 /nfs/dbraw/zinc/81/99/95/782819995.db2.gz XMYXRNQGMHWFRO-JGVFFNPUSA-N 1 2 272.305 -1.857 20 0 CAADLO CCC(=O)N[C@H]1CC[N@@H+](CC(=O)NC(N)=O)C[C@H]1O ZINC001099605430 782820002 /nfs/dbraw/zinc/82/00/02/782820002.db2.gz XMYXRNQGMHWFRO-JGVFFNPUSA-N 1 2 272.305 -1.857 20 0 CAADLO NC(=O)NC(=O)C[N@@H+]1CC[C@@H](NC(=O)C2CCC2)[C@@H](O)C1 ZINC001099609743 782820877 /nfs/dbraw/zinc/82/08/77/782820877.db2.gz FEMDDTDWOQBIPV-ZJUUUORDSA-N 1 2 298.343 -1.467 20 0 CAADLO NC(=O)NC(=O)C[N@H+]1CC[C@@H](NC(=O)C2CCC2)[C@@H](O)C1 ZINC001099609743 782820879 /nfs/dbraw/zinc/82/08/79/782820879.db2.gz FEMDDTDWOQBIPV-ZJUUUORDSA-N 1 2 298.343 -1.467 20 0 CAADLO CCS(=O)(=O)NCC[N@@H+]1CC[C@@H](NC(C)=O)[C@@H](O)C1 ZINC001099607852 782820895 /nfs/dbraw/zinc/82/08/95/782820895.db2.gz RPZOGLYBBAVSDD-MNOVXSKESA-N 1 2 293.389 -1.503 20 0 CAADLO CCS(=O)(=O)NCC[N@H+]1CC[C@@H](NC(C)=O)[C@@H](O)C1 ZINC001099607852 782820896 /nfs/dbraw/zinc/82/08/96/782820896.db2.gz RPZOGLYBBAVSDD-MNOVXSKESA-N 1 2 293.389 -1.503 20 0 CAADLO CNC(=O)NC(=O)C[N@@H+]1CC[C@H](NC(C)=O)[C@@H](O)C1 ZINC001099611969 782821320 /nfs/dbraw/zinc/82/13/20/782821320.db2.gz ZKIXYUHNYJARDV-IUCAKERBSA-N 1 2 272.305 -1.987 20 0 CAADLO CNC(=O)NC(=O)C[N@H+]1CC[C@H](NC(C)=O)[C@@H](O)C1 ZINC001099611969 782821326 /nfs/dbraw/zinc/82/13/26/782821326.db2.gz ZKIXYUHNYJARDV-IUCAKERBSA-N 1 2 272.305 -1.987 20 0 CAADLO CCOCCNC(=O)C[N@@H+]1CC[C@@H](NC(C)=O)[C@H](O)C1 ZINC001099610943 782821388 /nfs/dbraw/zinc/82/13/88/782821388.db2.gz LPBXYTNSLGHISS-VXGBXAGGSA-N 1 2 287.360 -1.290 20 0 CAADLO CCOCCNC(=O)C[N@H+]1CC[C@@H](NC(C)=O)[C@H](O)C1 ZINC001099610943 782821398 /nfs/dbraw/zinc/82/13/98/782821398.db2.gz LPBXYTNSLGHISS-VXGBXAGGSA-N 1 2 287.360 -1.290 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)COC)[C@@H](O)C1 ZINC001099612923 782821940 /nfs/dbraw/zinc/82/19/40/782821940.db2.gz ASXBQNRKLIHQSH-BDAKNGLRSA-N 1 2 259.306 -2.070 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)COC)[C@@H](O)C1 ZINC001099612923 782821943 /nfs/dbraw/zinc/82/19/43/782821943.db2.gz ASXBQNRKLIHQSH-BDAKNGLRSA-N 1 2 259.306 -2.070 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)COC)[C@H](O)C1 ZINC001099612926 782822013 /nfs/dbraw/zinc/82/20/13/782822013.db2.gz ASXBQNRKLIHQSH-RKDXNWHRSA-N 1 2 259.306 -2.070 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)COC)[C@H](O)C1 ZINC001099612926 782822019 /nfs/dbraw/zinc/82/20/19/782822019.db2.gz ASXBQNRKLIHQSH-RKDXNWHRSA-N 1 2 259.306 -2.070 20 0 CAADLO CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)COC)[C@H](O)C1 ZINC001099617187 782822313 /nfs/dbraw/zinc/82/23/13/782822313.db2.gz HRFOOMFZXXLFJF-NXEZZACHSA-N 1 2 273.333 -1.680 20 0 CAADLO CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)COC)[C@H](O)C1 ZINC001099617187 782822320 /nfs/dbraw/zinc/82/23/20/782822320.db2.gz HRFOOMFZXXLFJF-NXEZZACHSA-N 1 2 273.333 -1.680 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)CCOC)[C@@H](O)C1 ZINC001099619962 782822850 /nfs/dbraw/zinc/82/28/50/782822850.db2.gz HHAGFFIDLSPQIS-UWVGGRQHSA-N 1 2 273.333 -1.680 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)CCOC)[C@@H](O)C1 ZINC001099619962 782822856 /nfs/dbraw/zinc/82/28/56/782822856.db2.gz HHAGFFIDLSPQIS-UWVGGRQHSA-N 1 2 273.333 -1.680 20 0 CAADLO COCCC(=O)N[C@H]1CC[N@H+](Cc2cnnn2C)C[C@H]1O ZINC001099619650 782822940 /nfs/dbraw/zinc/82/29/40/782822940.db2.gz BXQCCGSJBIIKGG-NWDGAFQWSA-N 1 2 297.359 -1.097 20 0 CAADLO COCCC(=O)N[C@H]1CC[N@@H+](Cc2cnnn2C)C[C@H]1O ZINC001099619650 782822947 /nfs/dbraw/zinc/82/29/47/782822947.db2.gz BXQCCGSJBIIKGG-NWDGAFQWSA-N 1 2 297.359 -1.097 20 0 CAADLO CC(=O)NCC(=O)N[C@@H]1CC[N@H+](CC(N)=O)C[C@H]1O ZINC001099629428 782823726 /nfs/dbraw/zinc/82/37/26/782823726.db2.gz BYZKLBFTLSSZED-RKDXNWHRSA-N 1 2 272.305 -2.841 20 0 CAADLO CC(=O)NCC(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C[C@H]1O ZINC001099629428 782823732 /nfs/dbraw/zinc/82/37/32/782823732.db2.gz BYZKLBFTLSSZED-RKDXNWHRSA-N 1 2 272.305 -2.841 20 0 CAADLO CCOCC(=O)N[C@H]1CC[N@H+](CC(=O)NC)C[C@H]1O ZINC001099632515 782823748 /nfs/dbraw/zinc/82/37/48/782823748.db2.gz FEHGNFVQOCKSIN-VHSXEESVSA-N 1 2 273.333 -1.680 20 0 CAADLO CCOCC(=O)N[C@H]1CC[N@@H+](CC(=O)NC)C[C@H]1O ZINC001099632515 782823755 /nfs/dbraw/zinc/82/37/55/782823755.db2.gz FEHGNFVQOCKSIN-VHSXEESVSA-N 1 2 273.333 -1.680 20 0 CAADLO COCCC(=O)N[C@@H]1CC[N@H+](Cc2cnnn2C)C[C@H]1O ZINC001099619652 782823914 /nfs/dbraw/zinc/82/39/14/782823914.db2.gz BXQCCGSJBIIKGG-VXGBXAGGSA-N 1 2 297.359 -1.097 20 0 CAADLO COCCC(=O)N[C@@H]1CC[N@@H+](Cc2cnnn2C)C[C@H]1O ZINC001099619652 782823920 /nfs/dbraw/zinc/82/39/20/782823920.db2.gz BXQCCGSJBIIKGG-VXGBXAGGSA-N 1 2 297.359 -1.097 20 0 CAADLO CCOCC(=O)N[C@@H]1CC[N@H+](CC(=O)NC)C[C@H]1O ZINC001099632513 782824034 /nfs/dbraw/zinc/82/40/34/782824034.db2.gz FEHGNFVQOCKSIN-NXEZZACHSA-N 1 2 273.333 -1.680 20 0 CAADLO CCOCC(=O)N[C@@H]1CC[N@@H+](CC(=O)NC)C[C@H]1O ZINC001099632513 782824042 /nfs/dbraw/zinc/82/40/42/782824042.db2.gz FEHGNFVQOCKSIN-NXEZZACHSA-N 1 2 273.333 -1.680 20 0 CAADLO COCCC(=O)N[C@H]1CC[N@H+](Cc2cnnn2C)C[C@@H]1O ZINC001099619651 782824321 /nfs/dbraw/zinc/82/43/21/782824321.db2.gz BXQCCGSJBIIKGG-RYUDHWBXSA-N 1 2 297.359 -1.097 20 0 CAADLO COCCC(=O)N[C@H]1CC[N@@H+](Cc2cnnn2C)C[C@@H]1O ZINC001099619651 782824326 /nfs/dbraw/zinc/82/43/26/782824326.db2.gz BXQCCGSJBIIKGG-RYUDHWBXSA-N 1 2 297.359 -1.097 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)CCOC)[C@H](O)C1 ZINC001099619963 782824337 /nfs/dbraw/zinc/82/43/37/782824337.db2.gz HHAGFFIDLSPQIS-VHSXEESVSA-N 1 2 273.333 -1.680 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)CCOC)[C@H](O)C1 ZINC001099619963 782824342 /nfs/dbraw/zinc/82/43/42/782824342.db2.gz HHAGFFIDLSPQIS-VHSXEESVSA-N 1 2 273.333 -1.680 20 0 CAADLO CCOCCCC(=O)N[C@H]1CC[N@H+](CC(N)=O)C[C@@H]1O ZINC001099698729 782827428 /nfs/dbraw/zinc/82/74/28/782827428.db2.gz SWGDNFHRXXSYPJ-QWRGUYRKSA-N 1 2 287.360 -1.160 20 0 CAADLO CCOCCCC(=O)N[C@H]1CC[N@@H+](CC(N)=O)C[C@@H]1O ZINC001099698729 782827433 /nfs/dbraw/zinc/82/74/33/782827433.db2.gz SWGDNFHRXXSYPJ-QWRGUYRKSA-N 1 2 287.360 -1.160 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)COCC2CC2)[C@@H](O)C1 ZINC001099702694 782827501 /nfs/dbraw/zinc/82/75/01/782827501.db2.gz YHQJFUZYPJTZIL-QWRGUYRKSA-N 1 2 285.344 -1.550 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)CNC(N)=O)[C@H](O)C1 ZINC001099665264 782827607 /nfs/dbraw/zinc/82/76/07/782827607.db2.gz DHFQKQVFAPCVCJ-JGVFFNPUSA-N 1 2 287.320 -3.048 20 0 CAADLO CSCC(=O)N[C@@H]1CC[N@H+](CC(N)=O)C[C@@H]1O ZINC001099654529 782825699 /nfs/dbraw/zinc/82/56/99/782825699.db2.gz OORUDJAQGMGXPB-SFYZADRCSA-N 1 2 261.347 -1.614 20 0 CAADLO CSCC(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C[C@@H]1O ZINC001099654529 782825707 /nfs/dbraw/zinc/82/57/07/782825707.db2.gz OORUDJAQGMGXPB-SFYZADRCSA-N 1 2 261.347 -1.614 20 0 CAADLO CSCC(=O)N[C@H]1CC[N@H+](CC(N)=O)C[C@@H]1O ZINC001099654530 782825833 /nfs/dbraw/zinc/82/58/33/782825833.db2.gz OORUDJAQGMGXPB-YUMQZZPRSA-N 1 2 261.347 -1.614 20 0 CAADLO CSCC(=O)N[C@H]1CC[N@@H+](CC(N)=O)C[C@@H]1O ZINC001099654530 782825839 /nfs/dbraw/zinc/82/58/39/782825839.db2.gz OORUDJAQGMGXPB-YUMQZZPRSA-N 1 2 261.347 -1.614 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)CNC(N)=O)[C@H](O)C1 ZINC001099665264 782827609 /nfs/dbraw/zinc/82/76/09/782827609.db2.gz DHFQKQVFAPCVCJ-JGVFFNPUSA-N 1 2 287.320 -3.048 20 0 CAADLO CCOCC(=O)N[C@@H]1CC[N@H+](Cc2cnnn2C)C[C@@H]1O ZINC001099645915 782826232 /nfs/dbraw/zinc/82/62/32/782826232.db2.gz ZMGIBLQPELIEOR-NEPJUHHUSA-N 1 2 297.359 -1.097 20 0 CAADLO CCOCC(=O)N[C@@H]1CC[N@@H+](Cc2cnnn2C)C[C@@H]1O ZINC001099645915 782826239 /nfs/dbraw/zinc/82/62/39/782826239.db2.gz ZMGIBLQPELIEOR-NEPJUHHUSA-N 1 2 297.359 -1.097 20 0 CAADLO CCOCC(=O)N[C@H]1CC[N@H+](Cc2cnnn2C)C[C@H]1O ZINC001099645916 782826384 /nfs/dbraw/zinc/82/63/84/782826384.db2.gz ZMGIBLQPELIEOR-NWDGAFQWSA-N 1 2 297.359 -1.097 20 0 CAADLO CCOCC(=O)N[C@H]1CC[N@@H+](Cc2cnnn2C)C[C@H]1O ZINC001099645916 782826390 /nfs/dbraw/zinc/82/63/90/782826390.db2.gz ZMGIBLQPELIEOR-NWDGAFQWSA-N 1 2 297.359 -1.097 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)CNC(N)=O)[C@H](O)C1 ZINC001099665364 782826910 /nfs/dbraw/zinc/82/69/10/782826910.db2.gz FYRLUHYZHJULKX-NKWVEPMBSA-N 1 2 273.293 -3.309 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)CNC(N)=O)[C@H](O)C1 ZINC001099665364 782826914 /nfs/dbraw/zinc/82/69/14/782826914.db2.gz FYRLUHYZHJULKX-NKWVEPMBSA-N 1 2 273.293 -3.309 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)COCC2CC2)[C@@H](O)C1 ZINC001099702694 782827506 /nfs/dbraw/zinc/82/75/06/782827506.db2.gz YHQJFUZYPJTZIL-QWRGUYRKSA-N 1 2 285.344 -1.550 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)CNC(=O)C2CC2)[C@H](O)C1 ZINC001099703780 782827803 /nfs/dbraw/zinc/82/78/03/782827803.db2.gz BITHXXANAHQACQ-VHSXEESVSA-N 1 2 298.343 -2.451 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)CNC(=O)C2CC2)[C@H](O)C1 ZINC001099703780 782827806 /nfs/dbraw/zinc/82/78/06/782827806.db2.gz BITHXXANAHQACQ-VHSXEESVSA-N 1 2 298.343 -2.451 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)COCC2CC2)[C@H](O)C1 ZINC001099702695 782827945 /nfs/dbraw/zinc/82/79/45/782827945.db2.gz YHQJFUZYPJTZIL-WDEREUQCSA-N 1 2 285.344 -1.550 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)COCC2CC2)[C@H](O)C1 ZINC001099702695 782827950 /nfs/dbraw/zinc/82/79/50/782827950.db2.gz YHQJFUZYPJTZIL-WDEREUQCSA-N 1 2 285.344 -1.550 20 0 CAADLO COCC[N@@H+]1CC[C@@H](NC(=O)CS(C)(=O)=O)[C@H](O)C1 ZINC001099709757 782829011 /nfs/dbraw/zinc/82/90/11/782829011.db2.gz MZHOZJYDGOFJAS-NXEZZACHSA-N 1 2 294.373 -1.771 20 0 CAADLO COCC[N@H+]1CC[C@@H](NC(=O)CS(C)(=O)=O)[C@H](O)C1 ZINC001099709757 782829017 /nfs/dbraw/zinc/82/90/17/782829017.db2.gz MZHOZJYDGOFJAS-NXEZZACHSA-N 1 2 294.373 -1.771 20 0 CAADLO CCOCCC(=O)N[C@H]1CC[N@H+](CC(N)=O)C[C@@H]1O ZINC001099729487 782829035 /nfs/dbraw/zinc/82/90/35/782829035.db2.gz INFHWQFTUMGNKV-UWVGGRQHSA-N 1 2 273.333 -1.550 20 0 CAADLO CCOCCC(=O)N[C@H]1CC[N@@H+](CC(N)=O)C[C@@H]1O ZINC001099729487 782829040 /nfs/dbraw/zinc/82/90/40/782829040.db2.gz INFHWQFTUMGNKV-UWVGGRQHSA-N 1 2 273.333 -1.550 20 0 CAADLO COC(=O)NCC(=O)N[C@@H]1CC[N@H+](CC(N)=O)C[C@@H]1O ZINC001099704652 782829352 /nfs/dbraw/zinc/82/93/52/782829352.db2.gz OWPBJWSSDJRTFZ-SFYZADRCSA-N 1 2 288.304 -2.621 20 0 CAADLO COC(=O)NCC(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C[C@@H]1O ZINC001099704652 782829357 /nfs/dbraw/zinc/82/93/57/782829357.db2.gz OWPBJWSSDJRTFZ-SFYZADRCSA-N 1 2 288.304 -2.621 20 0 CAADLO CC(C)OCC(=O)N[C@H]1CC[N@H+](CC(N)=O)C[C@@H]1O ZINC001099723150 782829553 /nfs/dbraw/zinc/82/95/53/782829553.db2.gz FMMMZDJBZNIHJS-UWVGGRQHSA-N 1 2 273.333 -1.552 20 0 CAADLO CC(C)OCC(=O)N[C@H]1CC[N@@H+](CC(N)=O)C[C@@H]1O ZINC001099723150 782829558 /nfs/dbraw/zinc/82/95/58/782829558.db2.gz FMMMZDJBZNIHJS-UWVGGRQHSA-N 1 2 273.333 -1.552 20 0 CAADLO CCOCCC(=O)N[C@H]1CC[N@H+](CC(=O)NC)C[C@H]1O ZINC001099729773 782829608 /nfs/dbraw/zinc/82/96/08/782829608.db2.gz LRPPDIHTTJVWFM-WDEREUQCSA-N 1 2 287.360 -1.290 20 0 CAADLO CCOCCC(=O)N[C@H]1CC[N@@H+](CC(=O)NC)C[C@H]1O ZINC001099729773 782829615 /nfs/dbraw/zinc/82/96/15/782829615.db2.gz LRPPDIHTTJVWFM-WDEREUQCSA-N 1 2 287.360 -1.290 20 0 CAADLO CC(C)OCC(=O)N[C@@H]1CC[N@H+](CC(N)=O)C[C@H]1O ZINC001099723149 782829981 /nfs/dbraw/zinc/82/99/81/782829981.db2.gz FMMMZDJBZNIHJS-NXEZZACHSA-N 1 2 273.333 -1.552 20 0 CAADLO CC(C)OCC(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C[C@H]1O ZINC001099723149 782829996 /nfs/dbraw/zinc/82/99/96/782829996.db2.gz FMMMZDJBZNIHJS-NXEZZACHSA-N 1 2 273.333 -1.552 20 0 CAADLO COC(=O)NCC(=O)N[C@H]1CC[N@H+](CC(N)=O)C[C@H]1O ZINC001099704651 782830105 /nfs/dbraw/zinc/83/01/05/782830105.db2.gz OWPBJWSSDJRTFZ-JGVFFNPUSA-N 1 2 288.304 -2.621 20 0 CAADLO COC(=O)NCC(=O)N[C@H]1CC[N@@H+](CC(N)=O)C[C@H]1O ZINC001099704651 782830110 /nfs/dbraw/zinc/83/01/10/782830110.db2.gz OWPBJWSSDJRTFZ-JGVFFNPUSA-N 1 2 288.304 -2.621 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CCCOC)[C@@H](O)C1 ZINC001099705339 782830125 /nfs/dbraw/zinc/83/01/25/782830125.db2.gz YSXDYSOAVMSWLI-MNOVXSKESA-N 1 2 287.360 -1.290 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)CCCOC)[C@@H](O)C1 ZINC001099705339 782830130 /nfs/dbraw/zinc/83/01/30/782830130.db2.gz YSXDYSOAVMSWLI-MNOVXSKESA-N 1 2 287.360 -1.290 20 0 CAADLO COCC[N@@H+]1CC[C@H](NC(=O)CS(C)(=O)=O)[C@H](O)C1 ZINC001099709759 782830391 /nfs/dbraw/zinc/83/03/91/782830391.db2.gz MZHOZJYDGOFJAS-VHSXEESVSA-N 1 2 294.373 -1.771 20 0 CAADLO COCC[N@H+]1CC[C@H](NC(=O)CS(C)(=O)=O)[C@H](O)C1 ZINC001099709759 782830396 /nfs/dbraw/zinc/83/03/96/782830396.db2.gz MZHOZJYDGOFJAS-VHSXEESVSA-N 1 2 294.373 -1.771 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)CC(F)(F)F)[C@@H](O)C1 ZINC001099711579 782830414 /nfs/dbraw/zinc/83/04/14/782830414.db2.gz BQINYAFLLTYNHM-BQBZGAKWSA-N 1 2 283.250 -1.025 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)CC(F)(F)F)[C@@H](O)C1 ZINC001099711579 782830425 /nfs/dbraw/zinc/83/04/25/782830425.db2.gz BQINYAFLLTYNHM-BQBZGAKWSA-N 1 2 283.250 -1.025 20 0 CAADLO CCOCCC(=O)N[C@@H]1CC[N@H+](CC(=O)NC)C[C@@H]1O ZINC001099729771 782830516 /nfs/dbraw/zinc/83/05/16/782830516.db2.gz LRPPDIHTTJVWFM-MNOVXSKESA-N 1 2 287.360 -1.290 20 0 CAADLO CCOCCC(=O)N[C@@H]1CC[N@@H+](CC(=O)NC)C[C@@H]1O ZINC001099729771 782830523 /nfs/dbraw/zinc/83/05/23/782830523.db2.gz LRPPDIHTTJVWFM-MNOVXSKESA-N 1 2 287.360 -1.290 20 0 CAADLO COCCOCC(=O)N[C@@H]1CC[N@H+](CC(N)=O)C[C@H]1O ZINC001099747102 782831180 /nfs/dbraw/zinc/83/11/80/782831180.db2.gz TWCLVCCYNMRWOG-NXEZZACHSA-N 1 2 289.332 -2.314 20 0 CAADLO COCCOCC(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C[C@H]1O ZINC001099747102 782831188 /nfs/dbraw/zinc/83/11/88/782831188.db2.gz TWCLVCCYNMRWOG-NXEZZACHSA-N 1 2 289.332 -2.314 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)CC(N)=O)[C@H](O)C1 ZINC001099743871 782832386 /nfs/dbraw/zinc/83/23/86/782832386.db2.gz QEFFZGWAYONNCU-JGVFFNPUSA-N 1 2 272.305 -2.841 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)CC(N)=O)[C@H](O)C1 ZINC001099743871 782832392 /nfs/dbraw/zinc/83/23/92/782832392.db2.gz QEFFZGWAYONNCU-JGVFFNPUSA-N 1 2 272.305 -2.841 20 0 CAADLO Cn1nncc1C[N@@H+]1CC[C@@H](NC(=O)CC(N)=O)[C@H](O)C1 ZINC001099757391 782832438 /nfs/dbraw/zinc/83/24/38/782832438.db2.gz DUBFXMVEDOINDN-NXEZZACHSA-N 1 2 296.331 -2.258 20 0 CAADLO Cn1nncc1C[N@H+]1CC[C@@H](NC(=O)CC(N)=O)[C@H](O)C1 ZINC001099757391 782832442 /nfs/dbraw/zinc/83/24/42/782832442.db2.gz DUBFXMVEDOINDN-NXEZZACHSA-N 1 2 296.331 -2.258 20 0 CAADLO NC(=O)CC(=O)N[C@@H]1CC[N@H+](CC(=O)NC2CC2)C[C@H]1O ZINC001099758222 782833487 /nfs/dbraw/zinc/83/34/87/782833487.db2.gz POBKUFPJUNINTB-NXEZZACHSA-N 1 2 298.343 -2.308 20 0 CAADLO NC(=O)CC(=O)N[C@@H]1CC[N@@H+](CC(=O)NC2CC2)C[C@H]1O ZINC001099758222 782833493 /nfs/dbraw/zinc/83/34/93/782833493.db2.gz POBKUFPJUNINTB-NXEZZACHSA-N 1 2 298.343 -2.308 20 0 CAADLO Cn1ccc(C[N@@H+]2CC[C@@H](NC(=O)CC(N)=O)[C@H](O)C2)n1 ZINC001099757595 782833632 /nfs/dbraw/zinc/83/36/32/782833632.db2.gz GYZAGDSRMFEHJZ-GHMZBOCLSA-N 1 2 295.343 -1.653 20 0 CAADLO Cn1ccc(C[N@H+]2CC[C@@H](NC(=O)CC(N)=O)[C@H](O)C2)n1 ZINC001099757595 782833641 /nfs/dbraw/zinc/83/36/41/782833641.db2.gz GYZAGDSRMFEHJZ-GHMZBOCLSA-N 1 2 295.343 -1.653 20 0 CAADLO CC(C)=CC(=O)N[C@@H]1CC[N@H+](CC(N)=O)C[C@@H]1O ZINC001099661288 782827656 /nfs/dbraw/zinc/82/76/56/782827656.db2.gz XMJFRCKQJGOONM-ZJUUUORDSA-N 1 2 255.318 -1.011 20 0 CAADLO CC(C)=CC(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C[C@@H]1O ZINC001099661288 782827660 /nfs/dbraw/zinc/82/76/60/782827660.db2.gz XMJFRCKQJGOONM-ZJUUUORDSA-N 1 2 255.318 -1.011 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CNC(N)=O)[C@H](O)C1 ZINC001099665263 782827688 /nfs/dbraw/zinc/82/76/88/782827688.db2.gz DHFQKQVFAPCVCJ-HTQZYQBOSA-N 1 2 287.320 -3.048 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)CNC(N)=O)[C@H](O)C1 ZINC001099665263 782827692 /nfs/dbraw/zinc/82/76/92/782827692.db2.gz DHFQKQVFAPCVCJ-HTQZYQBOSA-N 1 2 287.320 -3.048 20 0 CAADLO NC(=O)CC(=O)N[C@H]1CC[N@H+](CC(=O)NC2CC2)C[C@@H]1O ZINC001099758223 782834290 /nfs/dbraw/zinc/83/42/90/782834290.db2.gz POBKUFPJUNINTB-UWVGGRQHSA-N 1 2 298.343 -2.308 20 0 CAADLO NC(=O)CC(=O)N[C@H]1CC[N@@H+](CC(=O)NC2CC2)C[C@@H]1O ZINC001099758223 782834297 /nfs/dbraw/zinc/83/42/97/782834297.db2.gz POBKUFPJUNINTB-UWVGGRQHSA-N 1 2 298.343 -2.308 20 0 CAADLO C/C=C(/C)C(=O)N[C@@H]1CC[N@H+](CC(=O)NC(N)=O)C[C@H]1O ZINC001099771354 782835267 /nfs/dbraw/zinc/83/52/67/782835267.db2.gz FVSFKVMCKBWQRR-HJBJALMNSA-N 1 2 298.343 -1.301 20 0 CAADLO C/C=C(/C)C(=O)N[C@@H]1CC[N@@H+](CC(=O)NC(N)=O)C[C@H]1O ZINC001099771354 782835277 /nfs/dbraw/zinc/83/52/77/782835277.db2.gz FVSFKVMCKBWQRR-HJBJALMNSA-N 1 2 298.343 -1.301 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)/C=C\C2CC2)[C@@H](O)C1 ZINC001099769817 782835534 /nfs/dbraw/zinc/83/55/34/782835534.db2.gz YNMKWPFQGGIPKN-WZQADMAKSA-N 1 2 267.329 -1.011 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)/C=C\C2CC2)[C@@H](O)C1 ZINC001099769817 782835541 /nfs/dbraw/zinc/83/55/41/782835541.db2.gz YNMKWPFQGGIPKN-WZQADMAKSA-N 1 2 267.329 -1.011 20 0 CAADLO C/C=C(/C)C(=O)N[C@@H]1CC[N@H+](CC(=O)NC(N)=O)C[C@@H]1O ZINC001099771355 782835745 /nfs/dbraw/zinc/83/57/45/782835745.db2.gz FVSFKVMCKBWQRR-IVIAJXKQSA-N 1 2 298.343 -1.301 20 0 CAADLO C/C=C(/C)C(=O)N[C@@H]1CC[N@@H+](CC(=O)NC(N)=O)C[C@@H]1O ZINC001099771355 782835756 /nfs/dbraw/zinc/83/57/56/782835756.db2.gz FVSFKVMCKBWQRR-IVIAJXKQSA-N 1 2 298.343 -1.301 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)CC2(O)CCC2)[C@H](O)C1 ZINC001099823898 782840377 /nfs/dbraw/zinc/84/03/77/782840377.db2.gz LMPBLENZHBQMID-VHSXEESVSA-N 1 2 285.344 -1.672 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)CCn2ccnn2)[C@H](O)C1 ZINC001099798762 782836856 /nfs/dbraw/zinc/83/68/56/782836856.db2.gz BWTGNIYSKCVJTR-NXEZZACHSA-N 1 2 296.331 -2.295 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)CCn2ccnn2)[C@H](O)C1 ZINC001099798762 782836859 /nfs/dbraw/zinc/83/68/59/782836859.db2.gz BWTGNIYSKCVJTR-NXEZZACHSA-N 1 2 296.331 -2.295 20 0 CAADLO CCNC(=O)CC(=O)N[C@@H]1CC[N@H+](CC(N)=O)C[C@H]1O ZINC001099796943 782837851 /nfs/dbraw/zinc/83/78/51/782837851.db2.gz LMXLUCYKJDFATN-RKDXNWHRSA-N 1 2 286.332 -2.451 20 0 CAADLO CCNC(=O)CC(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C[C@H]1O ZINC001099796943 782837856 /nfs/dbraw/zinc/83/78/56/782837856.db2.gz LMXLUCYKJDFATN-RKDXNWHRSA-N 1 2 286.332 -2.451 20 0 CAADLO CC(C)(C)OCC(=O)N[C@@H]1CC[N@H+](CC(N)=O)C[C@H]1O ZINC001099796860 782837944 /nfs/dbraw/zinc/83/79/44/782837944.db2.gz KDPPKROBPSYPEA-NXEZZACHSA-N 1 2 287.360 -1.162 20 0 CAADLO CC(C)(C)OCC(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C[C@H]1O ZINC001099796860 782837947 /nfs/dbraw/zinc/83/79/47/782837947.db2.gz KDPPKROBPSYPEA-NXEZZACHSA-N 1 2 287.360 -1.162 20 0 CAADLO CC(C)(C)OCC(=O)N[C@@H]1CC[N@H+](CC(N)=O)C[C@@H]1O ZINC001099796863 782838216 /nfs/dbraw/zinc/83/82/16/782838216.db2.gz KDPPKROBPSYPEA-ZJUUUORDSA-N 1 2 287.360 -1.162 20 0 CAADLO CC(C)(C)OCC(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C[C@@H]1O ZINC001099796863 782838224 /nfs/dbraw/zinc/83/82/24/782838224.db2.gz KDPPKROBPSYPEA-ZJUUUORDSA-N 1 2 287.360 -1.162 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)CCc2ncc[nH]2)[C@@H](O)C1 ZINC001099804315 782838489 /nfs/dbraw/zinc/83/84/89/782838489.db2.gz LMOOMQGKNUEIBU-ZJUUUORDSA-N 1 2 295.343 -1.621 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)CCc2ncc[nH]2)[C@@H](O)C1 ZINC001099804315 782838495 /nfs/dbraw/zinc/83/84/95/782838495.db2.gz LMOOMQGKNUEIBU-ZJUUUORDSA-N 1 2 295.343 -1.621 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)CCc2ncc[nH]2)[C@H](O)C1 ZINC001099804312 782838550 /nfs/dbraw/zinc/83/85/50/782838550.db2.gz LMOOMQGKNUEIBU-NXEZZACHSA-N 1 2 295.343 -1.621 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)CCc2ncc[nH]2)[C@H](O)C1 ZINC001099804312 782838557 /nfs/dbraw/zinc/83/85/57/782838557.db2.gz LMOOMQGKNUEIBU-NXEZZACHSA-N 1 2 295.343 -1.621 20 0 CAADLO CC(C)(O)CC(=O)N[C@@H]1CC[N@H+](CC(N)=O)C[C@H]1O ZINC001099810166 782838645 /nfs/dbraw/zinc/83/86/45/782838645.db2.gz OXKUXMIFECUGFY-RKDXNWHRSA-N 1 2 273.333 -1.816 20 0 CAADLO CC(C)(O)CC(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C[C@H]1O ZINC001099810166 782838652 /nfs/dbraw/zinc/83/86/52/782838652.db2.gz OXKUXMIFECUGFY-RKDXNWHRSA-N 1 2 273.333 -1.816 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)CC2(O)CCC2)[C@H](O)C1 ZINC001099823898 782840382 /nfs/dbraw/zinc/84/03/82/782840382.db2.gz LMPBLENZHBQMID-VHSXEESVSA-N 1 2 285.344 -1.672 20 0 CAADLO COCC1(CC(=O)N[C@H]2CC[N@H+](CC(N)=O)C[C@@H]2O)CC1 ZINC001099829846 782840399 /nfs/dbraw/zinc/84/03/99/782840399.db2.gz JDOBQQGAKAWZKE-QWRGUYRKSA-N 1 2 299.371 -1.160 20 0 CAADLO CC1(C(=O)N[C@H]2CC[N@H+](CC(=O)NC(N)=O)C[C@H]2O)CC1 ZINC001099840885 782839901 /nfs/dbraw/zinc/83/99/01/782839901.db2.gz GKIUGBGALXKZCQ-DTWKUNHWSA-N 1 2 298.343 -1.467 20 0 CAADLO CC1(C(=O)N[C@H]2CC[N@@H+](CC(=O)NC(N)=O)C[C@H]2O)CC1 ZINC001099840885 782839906 /nfs/dbraw/zinc/83/99/06/782839906.db2.gz GKIUGBGALXKZCQ-DTWKUNHWSA-N 1 2 298.343 -1.467 20 0 CAADLO COCC1(CC(=O)N[C@H]2CC[N@@H+](CC(N)=O)C[C@@H]2O)CC1 ZINC001099829846 782840409 /nfs/dbraw/zinc/84/04/09/782840409.db2.gz JDOBQQGAKAWZKE-QWRGUYRKSA-N 1 2 299.371 -1.160 20 0 CAADLO COCC1(CC(=O)N[C@@H]2CC[N@H+](CC(N)=O)C[C@@H]2O)CC1 ZINC001099829845 782840090 /nfs/dbraw/zinc/84/00/90/782840090.db2.gz JDOBQQGAKAWZKE-MNOVXSKESA-N 1 2 299.371 -1.160 20 0 CAADLO COCC1(CC(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C[C@@H]2O)CC1 ZINC001099829845 782840092 /nfs/dbraw/zinc/84/00/92/782840092.db2.gz JDOBQQGAKAWZKE-MNOVXSKESA-N 1 2 299.371 -1.160 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)C2(COC)CC2)[C@@H](O)C1 ZINC001099916707 782842756 /nfs/dbraw/zinc/84/27/56/782842756.db2.gz RKIRAGGRJKPIPT-QWRGUYRKSA-N 1 2 299.371 -1.290 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)C2(COC)CC2)[C@@H](O)C1 ZINC001099916707 782842765 /nfs/dbraw/zinc/84/27/65/782842765.db2.gz RKIRAGGRJKPIPT-QWRGUYRKSA-N 1 2 299.371 -1.290 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)CCc2ccon2)[C@@H](O)C1 ZINC001099924742 782843167 /nfs/dbraw/zinc/84/31/67/782843167.db2.gz ZMLPYSOLYJRYRW-QWRGUYRKSA-N 1 2 296.327 -1.356 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)CCc2ccon2)[C@@H](O)C1 ZINC001099924742 782843171 /nfs/dbraw/zinc/84/31/71/782843171.db2.gz ZMLPYSOLYJRYRW-QWRGUYRKSA-N 1 2 296.327 -1.356 20 0 CAADLO COCC1(C(=O)N[C@@H]2CC[N@H+](CC(N)=O)C[C@@H]2O)CCC1 ZINC001099927171 782843210 /nfs/dbraw/zinc/84/32/10/782843210.db2.gz XWMDAWYOQGPFEI-MNOVXSKESA-N 1 2 299.371 -1.160 20 0 CAADLO COCC1(C(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C[C@@H]2O)CCC1 ZINC001099927171 782843216 /nfs/dbraw/zinc/84/32/16/782843216.db2.gz XWMDAWYOQGPFEI-MNOVXSKESA-N 1 2 299.371 -1.160 20 0 CAADLO CS(=O)(=O)CCC(=O)N[C@H]1CC[N@H+](CCO)C[C@H]1O ZINC001099894746 782843277 /nfs/dbraw/zinc/84/32/77/782843277.db2.gz PIPLPBUOHILHLF-VHSXEESVSA-N 1 2 294.373 -2.035 20 0 CAADLO CS(=O)(=O)CCC(=O)N[C@H]1CC[N@@H+](CCO)C[C@H]1O ZINC001099894746 782843286 /nfs/dbraw/zinc/84/32/86/782843286.db2.gz PIPLPBUOHILHLF-VHSXEESVSA-N 1 2 294.373 -2.035 20 0 CAADLO COCC1(C(=O)N[C@@H]2CC[N@H+](CC(N)=O)C[C@H]2O)CCC1 ZINC001099927170 782843644 /nfs/dbraw/zinc/84/36/44/782843644.db2.gz XWMDAWYOQGPFEI-GHMZBOCLSA-N 1 2 299.371 -1.160 20 0 CAADLO COCC1(C(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C[C@H]2O)CCC1 ZINC001099927170 782843652 /nfs/dbraw/zinc/84/36/52/782843652.db2.gz XWMDAWYOQGPFEI-GHMZBOCLSA-N 1 2 299.371 -1.160 20 0 CAADLO CCOCC1(C(=O)N[C@@H]2CC[N@H+](CC(N)=O)C[C@@H]2O)CC1 ZINC001099897183 782843729 /nfs/dbraw/zinc/84/37/29/782843729.db2.gz RNJWXXODVHSBMJ-MNOVXSKESA-N 1 2 299.371 -1.160 20 0 CAADLO CCOCC1(C(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C[C@@H]2O)CC1 ZINC001099897183 782843737 /nfs/dbraw/zinc/84/37/37/782843737.db2.gz RNJWXXODVHSBMJ-MNOVXSKESA-N 1 2 299.371 -1.160 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)COCC(F)F)[C@H](O)C1 ZINC001099935363 782844605 /nfs/dbraw/zinc/84/46/05/782844605.db2.gz MXIZNAOWLWQPQV-HTQZYQBOSA-N 1 2 295.286 -1.695 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)COCC(F)F)[C@H](O)C1 ZINC001099935363 782844611 /nfs/dbraw/zinc/84/46/11/782844611.db2.gz MXIZNAOWLWQPQV-HTQZYQBOSA-N 1 2 295.286 -1.695 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)COCC(F)F)[C@H](O)C1 ZINC001099935364 782845323 /nfs/dbraw/zinc/84/53/23/782845323.db2.gz MXIZNAOWLWQPQV-JGVFFNPUSA-N 1 2 295.286 -1.695 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)COCC(F)F)[C@H](O)C1 ZINC001099935364 782845330 /nfs/dbraw/zinc/84/53/30/782845330.db2.gz MXIZNAOWLWQPQV-JGVFFNPUSA-N 1 2 295.286 -1.695 20 0 CAADLO NC(=O)NC(=O)C[N@@H+]1CC[C@H](NC(=O)C(N)=O)[C@H](O)C1 ZINC001099972655 782845374 /nfs/dbraw/zinc/84/53/74/782845374.db2.gz ZXRLWWJKQNDRHJ-NTSWFWBYSA-N 1 2 287.276 -3.782 20 0 CAADLO NC(=O)NC(=O)C[N@H+]1CC[C@H](NC(=O)C(N)=O)[C@H](O)C1 ZINC001099972655 782845377 /nfs/dbraw/zinc/84/53/77/782845377.db2.gz ZXRLWWJKQNDRHJ-NTSWFWBYSA-N 1 2 287.276 -3.782 20 0 CAADLO NC(=O)C(=O)N[C@H]1CC[N@H+](CC(=O)NCC2CC2)C[C@H]1O ZINC001099979128 782846445 /nfs/dbraw/zinc/84/64/45/782846445.db2.gz PRQYEMXPAQUEKU-VHSXEESVSA-N 1 2 298.343 -2.451 20 0 CAADLO NC(=O)C(=O)N[C@H]1CC[N@@H+](CC(=O)NCC2CC2)C[C@H]1O ZINC001099979128 782846449 /nfs/dbraw/zinc/84/64/49/782846449.db2.gz PRQYEMXPAQUEKU-VHSXEESVSA-N 1 2 298.343 -2.451 20 0 CAADLO CN(C)C(=O)CC(=O)N[C@@H]1CC[N@H+](CC(N)=O)C[C@@H]1O ZINC001100026893 782847438 /nfs/dbraw/zinc/84/74/38/782847438.db2.gz JORIRPITDBCGGI-BDAKNGLRSA-N 1 2 286.332 -2.499 20 0 CAADLO CN(C)C(=O)CC(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C[C@@H]1O ZINC001100026893 782847442 /nfs/dbraw/zinc/84/74/42/782847442.db2.gz JORIRPITDBCGGI-BDAKNGLRSA-N 1 2 286.332 -2.499 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)C2(CF)CC2)[C@H](O)C1 ZINC001100006146 782846718 /nfs/dbraw/zinc/84/67/18/782846718.db2.gz NESBCFXYNSQJAQ-RKDXNWHRSA-N 1 2 273.308 -1.227 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)C2(CF)CC2)[C@H](O)C1 ZINC001100006146 782846723 /nfs/dbraw/zinc/84/67/23/782846723.db2.gz NESBCFXYNSQJAQ-RKDXNWHRSA-N 1 2 273.308 -1.227 20 0 CAADLO CN(C)C(=O)CC(=O)N[C@@H]1CC[N@H+](CC(N)=O)C[C@H]1O ZINC001100026896 782846822 /nfs/dbraw/zinc/84/68/22/782846822.db2.gz JORIRPITDBCGGI-RKDXNWHRSA-N 1 2 286.332 -2.499 20 0 CAADLO CN(C)C(=O)CC(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C[C@H]1O ZINC001100026896 782846829 /nfs/dbraw/zinc/84/68/29/782846829.db2.gz JORIRPITDBCGGI-RKDXNWHRSA-N 1 2 286.332 -2.499 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C2(C(N)=O)CC2)[C@H](O)C1 ZINC001099978885 782847913 /nfs/dbraw/zinc/84/79/13/782847913.db2.gz MYDCMDLEPRSZLT-RKDXNWHRSA-N 1 2 298.343 -2.451 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)C2(C(N)=O)CC2)[C@H](O)C1 ZINC001099978885 782847916 /nfs/dbraw/zinc/84/79/16/782847916.db2.gz MYDCMDLEPRSZLT-RKDXNWHRSA-N 1 2 298.343 -2.451 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)CCc2cn[nH]c2)[C@H](O)C1 ZINC001100031536 782848885 /nfs/dbraw/zinc/84/88/85/782848885.db2.gz GXMORYWMUNZPJP-GHMZBOCLSA-N 1 2 295.343 -1.621 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)CCc2cn[nH]c2)[C@H](O)C1 ZINC001100031536 782848889 /nfs/dbraw/zinc/84/88/89/782848889.db2.gz GXMORYWMUNZPJP-GHMZBOCLSA-N 1 2 295.343 -1.621 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)CCn2cnnn2)[C@H](O)C1 ZINC001100046778 782849387 /nfs/dbraw/zinc/84/93/87/782849387.db2.gz RURUXQQYHFDIKO-DTWKUNHWSA-N 1 2 297.319 -2.900 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)CCn2cnnn2)[C@H](O)C1 ZINC001100046778 782849392 /nfs/dbraw/zinc/84/93/92/782849392.db2.gz RURUXQQYHFDIKO-DTWKUNHWSA-N 1 2 297.319 -2.900 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)CCn2cccc2)[C@@H](O)C1 ZINC001100051335 782849697 /nfs/dbraw/zinc/84/96/97/782849697.db2.gz WCDGYUPNTWTKMB-RYUDHWBXSA-N 1 2 294.355 -1.085 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)CCn2cccc2)[C@@H](O)C1 ZINC001100051335 782849704 /nfs/dbraw/zinc/84/97/04/782849704.db2.gz WCDGYUPNTWTKMB-RYUDHWBXSA-N 1 2 294.355 -1.085 20 0 CAADLO Cn1nnc(C[NH2+]C2CC(CNC(=O)CC(N)=O)C2)n1 ZINC001100209088 782855146 /nfs/dbraw/zinc/85/51/46/782855146.db2.gz SGGRGBPFCQPCCD-UHFFFAOYSA-N 1 2 281.320 -1.930 20 0 CAADLO CN(CCNC(=O)C(N)=O)c1ncnc2c1C[N@H+](C)CC2 ZINC001100294861 782855522 /nfs/dbraw/zinc/85/55/22/782855522.db2.gz SQRCBRCEVJXEHH-UHFFFAOYSA-N 1 2 292.343 -1.498 20 0 CAADLO CN(CCNC(=O)C(N)=O)c1ncnc2c1C[N@@H+](C)CC2 ZINC001100294861 782855530 /nfs/dbraw/zinc/85/55/30/782855530.db2.gz SQRCBRCEVJXEHH-UHFFFAOYSA-N 1 2 292.343 -1.498 20 0 CAADLO CN(CCNC(=O)C(N)=O)c1[nH+]cnc2c1cnn2C ZINC001100294570 782855995 /nfs/dbraw/zinc/85/59/95/782855995.db2.gz CQNIHQQAEQQXBS-UHFFFAOYSA-N 1 2 277.288 -1.599 20 0 CAADLO CNC(=O)CC(=O)NCC1CC([NH2+]Cc2nnn(C)n2)C1 ZINC001100276635 782856256 /nfs/dbraw/zinc/85/62/56/782856256.db2.gz SLCHNRBBANBROQ-UHFFFAOYSA-N 1 2 295.347 -1.669 20 0 CAADLO Cc1nc(N(C)C)nc(NCCN(C)C(=O)C(N)=O)[nH+]1 ZINC001101935049 782867627 /nfs/dbraw/zinc/86/76/27/782867627.db2.gz BMFNXBQVLAVCRN-UHFFFAOYSA-N 1 2 281.320 -1.398 20 0 CAADLO CN(CCNc1[nH+]cnc2c1cnn2C)C(=O)C(N)=O ZINC001101935466 782868692 /nfs/dbraw/zinc/86/86/92/782868692.db2.gz TXMQTVZKWUIZEF-UHFFFAOYSA-N 1 2 277.288 -1.281 20 0 CAADLO C[C@@H]1C[N@H+](Cc2nnnn2C)C[C@H]1CNC(=O)C(N)=O ZINC001102309400 782871604 /nfs/dbraw/zinc/87/16/04/782871604.db2.gz XTBVGDZDNPLZPU-HTQZYQBOSA-N 1 2 281.320 -2.121 20 0 CAADLO C[C@@H]1C[N@@H+](Cc2nnnn2C)C[C@H]1CNC(=O)C(N)=O ZINC001102309400 782871609 /nfs/dbraw/zinc/87/16/09/782871609.db2.gz XTBVGDZDNPLZPU-HTQZYQBOSA-N 1 2 281.320 -2.121 20 0 CAADLO NC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1nnc[nH]1 ZINC001114989342 782877193 /nfs/dbraw/zinc/87/71/93/782877193.db2.gz QKJWNMQBORCUSR-BDINMYNLSA-N 1 2 293.287 -2.340 20 0 CAADLO NC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1nnc[nH]1 ZINC001114989342 782877205 /nfs/dbraw/zinc/87/72/05/782877205.db2.gz QKJWNMQBORCUSR-BDINMYNLSA-N 1 2 293.287 -2.340 20 0 CAADLO CN1C(=O)C(=O)N(C[NH+]2CCC(C(N)=O)CC2)C1=O ZINC001115813436 782882375 /nfs/dbraw/zinc/88/23/75/782882375.db2.gz PSNABZORARWKQG-UHFFFAOYSA-N 1 2 268.273 -1.438 20 0 CAADLO CC1(C)C[N@H+](CCNC(=O)CN2C(=O)CNC2=O)CCO1 ZINC001115944302 782883608 /nfs/dbraw/zinc/88/36/08/782883608.db2.gz IBMHASGVADYHQR-UHFFFAOYSA-N 1 2 298.343 -1.235 20 0 CAADLO CC1(C)C[N@@H+](CCNC(=O)CN2C(=O)CNC2=O)CCO1 ZINC001115944302 782883612 /nfs/dbraw/zinc/88/36/12/782883612.db2.gz IBMHASGVADYHQR-UHFFFAOYSA-N 1 2 298.343 -1.235 20 0 CAADLO CN(CC[NH+]1CCOCC1)C(=O)CC[C@@H]1NC(=O)NC1=O ZINC001115962381 782883775 /nfs/dbraw/zinc/88/37/75/782883775.db2.gz NJZDKWGSMSLKLO-JTQLQIEISA-N 1 2 298.343 -1.235 20 0 CAADLO CN(CC[NH+]1CCOCC1)C(=O)CC[C@H]1NC(=O)NC1=O ZINC001115962382 782883886 /nfs/dbraw/zinc/88/38/86/782883886.db2.gz NJZDKWGSMSLKLO-SNVBAGLBSA-N 1 2 298.343 -1.235 20 0 CAADLO C[C@@H](NC(=O)CN1C(=O)CNC1=O)[C@H](C)[NH+]1CCOCC1 ZINC001115997158 782885082 /nfs/dbraw/zinc/88/50/82/782885082.db2.gz NKDLZVASSWIUJD-ZJUUUORDSA-N 1 2 298.343 -1.236 20 0 CAADLO CS(=O)(=O)NCCNC(=O)CCn1cc[nH+]c1 ZINC001116011451 782885190 /nfs/dbraw/zinc/88/51/90/782885190.db2.gz AJLFEUFVBNDBQD-UHFFFAOYSA-N 1 2 260.319 -1.061 20 0 CAADLO Cc1[nH+]c[nH]c1CNC(=O)CN1C(=O)C(=O)N(C)C1=O ZINC001116183969 782889153 /nfs/dbraw/zinc/88/91/53/782889153.db2.gz SDWWGUSJHCJJNS-UHFFFAOYSA-N 1 2 279.256 -1.245 20 0 CAADLO O=C(C[N@@H+]1C[C@@H](O)[C@@H](O)C1)NCc1ccccn1 ZINC001116328452 782893190 /nfs/dbraw/zinc/89/31/90/782893190.db2.gz RWQQANIAEGFDHD-PHIMTYICSA-N 1 2 251.286 -1.265 20 0 CAADLO O=C(C[N@H+]1C[C@@H](O)[C@@H](O)C1)NCc1ccccn1 ZINC001116328452 782893196 /nfs/dbraw/zinc/89/31/96/782893196.db2.gz RWQQANIAEGFDHD-PHIMTYICSA-N 1 2 251.286 -1.265 20 0 CAADLO O=C1NC[C@@H]2C[N@H+](CCn3cncn3)CCN2C1=O ZINC001116339285 782894153 /nfs/dbraw/zinc/89/41/53/782894153.db2.gz AIHOZPATCVYHHH-SECBINFHSA-N 1 2 264.289 -2.079 20 0 CAADLO O=C1NC[C@@H]2C[N@@H+](CCn3cncn3)CCN2C1=O ZINC001116339285 782894162 /nfs/dbraw/zinc/89/41/62/782894162.db2.gz AIHOZPATCVYHHH-SECBINFHSA-N 1 2 264.289 -2.079 20 0 CAADLO O=C(CCCn1cc[nH+]c1)NCC(=O)NCCO ZINC001116333229 782894569 /nfs/dbraw/zinc/89/45/69/782894569.db2.gz ZTSXJDSUBNFITP-UHFFFAOYSA-N 1 2 254.290 -1.112 20 0 CAADLO C[N@@H+]1CCO[C@@H](C(=O)Nc2cc(C(N)=O)[nH]n2)C1 ZINC001116392448 782894856 /nfs/dbraw/zinc/89/48/56/782894856.db2.gz WWLYACPEMJDEQN-SSDOTTSWSA-N 1 2 253.262 -1.222 20 0 CAADLO C[N@H+]1CCO[C@@H](C(=O)Nc2cc(C(N)=O)[nH]n2)C1 ZINC001116392448 782894858 /nfs/dbraw/zinc/89/48/58/782894858.db2.gz WWLYACPEMJDEQN-SSDOTTSWSA-N 1 2 253.262 -1.222 20 0 CAADLO NS(=O)(=O)CC1CC[NH+]([C@H]2CCNC2=O)CC1 ZINC001116396956 782894999 /nfs/dbraw/zinc/89/49/99/782894999.db2.gz VXWHPIHXOGDOTB-VIFPVBQESA-N 1 2 261.347 -1.125 20 0 CAADLO C[C@H](NC(=O)C[C@@H]1NC(=O)NC1=O)[C@H](C)[NH+]1CCOCC1 ZINC001116415334 782896200 /nfs/dbraw/zinc/89/62/00/782896200.db2.gz PZAUWIGHFRKWRV-GUBZILKMSA-N 1 2 298.343 -1.190 20 0 CAADLO CNC(=O)[C@H]1C[N@H+](CCCS(N)(=O)=O)CCO1 ZINC001116527687 782901166 /nfs/dbraw/zinc/90/11/66/782901166.db2.gz KDYSDOZFNVAUQA-MRVPVSSYSA-N 1 2 265.335 -1.888 20 0 CAADLO CNC(=O)[C@H]1C[N@@H+](CCCS(N)(=O)=O)CCO1 ZINC001116527687 782901171 /nfs/dbraw/zinc/90/11/71/782901171.db2.gz KDYSDOZFNVAUQA-MRVPVSSYSA-N 1 2 265.335 -1.888 20 0 CAADLO Cn1c[nH+]cc1CC(=O)N1CCO[C@@H](C(N)=O)C1 ZINC001116656530 782906353 /nfs/dbraw/zinc/90/63/53/782906353.db2.gz LROWFPLMMSMRLP-SECBINFHSA-N 1 2 252.274 -1.325 20 0 CAADLO C[N@H+](CCNC(=O)CC(N)=O)CC(=O)N1CCCC1 ZINC001266264005 775100957 /nfs/dbraw/zinc/10/09/57/775100957.db2.gz FSXQLSDCHJJYDL-UHFFFAOYSA-N 1 2 270.333 -1.468 20 0 CAADLO C[N@@H+](CCNC(=O)CC(N)=O)CC(=O)N1CCCC1 ZINC001266264005 775100963 /nfs/dbraw/zinc/10/09/63/775100963.db2.gz FSXQLSDCHJJYDL-UHFFFAOYSA-N 1 2 270.333 -1.468 20 0 CAADLO CNC(=O)C[N@H+](C)CCNC(=O)c1cn(C)cn1 ZINC001266267790 775101496 /nfs/dbraw/zinc/10/14/96/775101496.db2.gz PAJQQSKPIVGKAG-UHFFFAOYSA-N 1 2 253.306 -1.172 20 0 CAADLO CNC(=O)C[N@@H+](C)CCNC(=O)c1cn(C)cn1 ZINC001266267790 775101500 /nfs/dbraw/zinc/10/15/00/775101500.db2.gz PAJQQSKPIVGKAG-UHFFFAOYSA-N 1 2 253.306 -1.172 20 0 CAADLO Cn1cncc1C[N@H+](C)CCNC(=O)CC(N)=O ZINC001266263888 775101777 /nfs/dbraw/zinc/10/17/77/775101777.db2.gz AOGDRRAFBTXJLI-UHFFFAOYSA-N 1 2 253.306 -1.157 20 0 CAADLO Cn1cncc1C[N@@H+](C)CCNC(=O)CC(N)=O ZINC001266263888 775101779 /nfs/dbraw/zinc/10/17/79/775101779.db2.gz AOGDRRAFBTXJLI-UHFFFAOYSA-N 1 2 253.306 -1.157 20 0 CAADLO CNC(=O)C[N@H+](C)CCNC(=O)[C@@H](C)n1cncn1 ZINC001266270621 775102897 /nfs/dbraw/zinc/10/28/97/775102897.db2.gz XWGBCMMJWWLISQ-SECBINFHSA-N 1 2 268.321 -1.367 20 0 CAADLO CNC(=O)C[N@@H+](C)CCNC(=O)[C@@H](C)n1cncn1 ZINC001266270621 775102903 /nfs/dbraw/zinc/10/29/03/775102903.db2.gz XWGBCMMJWWLISQ-SECBINFHSA-N 1 2 268.321 -1.367 20 0 CAADLO C[C@@H](NC(=O)C1=COCCO1)C1C[NH+](CC(N)=O)C1 ZINC000969237291 775104779 /nfs/dbraw/zinc/10/47/79/775104779.db2.gz SLJUYZMROWEGKN-MRVPVSSYSA-N 1 2 269.301 -1.204 20 0 CAADLO C[C@H](NC(=O)C1=COCCO1)C1C[NH+](CC(N)=O)C1 ZINC000969237292 775105258 /nfs/dbraw/zinc/10/52/58/775105258.db2.gz SLJUYZMROWEGKN-QMMMGPOBSA-N 1 2 269.301 -1.204 20 0 CAADLO C[C@@H](C(N)=O)[NH+]1CCN(CCNC(=O)CC(N)=O)CC1 ZINC001266281227 775105631 /nfs/dbraw/zinc/10/56/31/775105631.db2.gz IXYQJNFAYHBHHB-VIFPVBQESA-N 1 2 285.348 -2.531 20 0 CAADLO C[C@@H](C(N)=O)N1CC[NH+](CCNC(=O)CC(N)=O)CC1 ZINC001266281227 775105635 /nfs/dbraw/zinc/10/56/35/775105635.db2.gz IXYQJNFAYHBHHB-VIFPVBQESA-N 1 2 285.348 -2.531 20 0 CAADLO CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2nnn(C)n2)C1 ZINC001208339043 775107606 /nfs/dbraw/zinc/10/76/06/775107606.db2.gz PTZOJADVHUSVAE-RKDXNWHRSA-N 1 2 295.347 -1.604 20 0 CAADLO CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2nnn(C)n2)C1 ZINC001208339043 775107611 /nfs/dbraw/zinc/10/76/11/775107611.db2.gz PTZOJADVHUSVAE-RKDXNWHRSA-N 1 2 295.347 -1.604 20 0 CAADLO C[N@H+](CCNC(=O)c1cn[nH]c(=O)c1)CC(N)=O ZINC001266286471 775107733 /nfs/dbraw/zinc/10/77/33/775107733.db2.gz NSXMXZYCCGOLRK-UHFFFAOYSA-N 1 2 253.262 -1.671 20 0 CAADLO C[N@@H+](CCNC(=O)c1cn[nH]c(=O)c1)CC(N)=O ZINC001266286471 775107736 /nfs/dbraw/zinc/10/77/36/775107736.db2.gz NSXMXZYCCGOLRK-UHFFFAOYSA-N 1 2 253.262 -1.671 20 0 CAADLO CNC(=O)[C@H](C)[N@H+](C)CCNC(=O)c1cn[nH]n1 ZINC001266293227 775108894 /nfs/dbraw/zinc/10/88/94/775108894.db2.gz OCIWPPRSBLWSLG-ZETCQYMHSA-N 1 2 254.294 -1.399 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)c1cn[nH]n1 ZINC001266293227 775108897 /nfs/dbraw/zinc/10/88/97/775108897.db2.gz OCIWPPRSBLWSLG-ZETCQYMHSA-N 1 2 254.294 -1.399 20 0 CAADLO CNC(=O)[C@H](C)[N@H+](C)CCNC(=O)c1cnn[nH]1 ZINC001266293227 775108900 /nfs/dbraw/zinc/10/89/00/775108900.db2.gz OCIWPPRSBLWSLG-ZETCQYMHSA-N 1 2 254.294 -1.399 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)c1cnn[nH]1 ZINC001266293227 775108904 /nfs/dbraw/zinc/10/89/04/775108904.db2.gz OCIWPPRSBLWSLG-ZETCQYMHSA-N 1 2 254.294 -1.399 20 0 CAADLO CCOCCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)COC)C1 ZINC001266298450 775110621 /nfs/dbraw/zinc/11/06/21/775110621.db2.gz DXIKKYXEMOCFFJ-LLVKDONJSA-N 1 2 287.360 -1.024 20 0 CAADLO CCOCCNC(=O)C[N@H+]1CC[C@@H](NC(=O)COC)C1 ZINC001266298450 775110623 /nfs/dbraw/zinc/11/06/23/775110623.db2.gz DXIKKYXEMOCFFJ-LLVKDONJSA-N 1 2 287.360 -1.024 20 0 CAADLO CCNC(=O)C[N@H+](C)CCNC(=O)[C@@H]1CCN(C)C1=O ZINC001266311720 775112269 /nfs/dbraw/zinc/11/22/69/775112269.db2.gz HEBKHNLMUCFGSB-JTQLQIEISA-N 1 2 284.360 -1.351 20 0 CAADLO CCNC(=O)C[N@@H+](C)CCNC(=O)[C@@H]1CCN(C)C1=O ZINC001266311720 775112273 /nfs/dbraw/zinc/11/22/73/775112273.db2.gz HEBKHNLMUCFGSB-JTQLQIEISA-N 1 2 284.360 -1.351 20 0 CAADLO C[C@@H](C(=O)NCc1ccco1)[N@H+](C)CCNC(=O)C(N)=O ZINC001266316018 775113789 /nfs/dbraw/zinc/11/37/89/775113789.db2.gz OEAGJCDOFYVTEG-VIFPVBQESA-N 1 2 296.327 -1.182 20 0 CAADLO C[C@@H](C(=O)NCc1ccco1)[N@@H+](C)CCNC(=O)C(N)=O ZINC001266316018 775113793 /nfs/dbraw/zinc/11/37/93/775113793.db2.gz OEAGJCDOFYVTEG-VIFPVBQESA-N 1 2 296.327 -1.182 20 0 CAADLO Cn1cc(C(=O)NCC[N@H+](C)CC(N)=O)[nH]c1=O ZINC001266321467 775115438 /nfs/dbraw/zinc/11/54/38/775115438.db2.gz TXMWNPGGWDIKJM-UHFFFAOYSA-N 1 2 255.278 -1.727 20 0 CAADLO Cn1cc(C(=O)NCC[N@@H+](C)CC(N)=O)[nH]c1=O ZINC001266321467 775115443 /nfs/dbraw/zinc/11/54/43/775115443.db2.gz TXMWNPGGWDIKJM-UHFFFAOYSA-N 1 2 255.278 -1.727 20 0 CAADLO CNC(=O)C[N@H+](C)CCNC(=O)[C@@H](COC)OC ZINC001266324205 775115468 /nfs/dbraw/zinc/11/54/68/775115468.db2.gz YBDFHTRMGOXXQJ-SECBINFHSA-N 1 2 261.322 -1.558 20 0 CAADLO CNC(=O)C[N@@H+](C)CCNC(=O)[C@@H](COC)OC ZINC001266324205 775115470 /nfs/dbraw/zinc/11/54/70/775115470.db2.gz YBDFHTRMGOXXQJ-SECBINFHSA-N 1 2 261.322 -1.558 20 0 CAADLO CNC(=O)C[N@H+](C)CCNC(=O)[C@@]1(C)CCNC1=O ZINC001266326823 775115763 /nfs/dbraw/zinc/11/57/63/775115763.db2.gz NBCTVFRHBRGVFQ-LBPRGKRZSA-N 1 2 270.333 -1.693 20 0 CAADLO CNC(=O)C[N@@H+](C)CCNC(=O)[C@@]1(C)CCNC1=O ZINC001266326823 775115766 /nfs/dbraw/zinc/11/57/66/775115766.db2.gz NBCTVFRHBRGVFQ-LBPRGKRZSA-N 1 2 270.333 -1.693 20 0 CAADLO CN(CC1CC1)C(=O)C[N@@H+]1CC[C@@H](NC(=O)C(N)=O)C1 ZINC001266339477 775117091 /nfs/dbraw/zinc/11/70/91/775117091.db2.gz QZINRJHWRHSECW-SNVBAGLBSA-N 1 2 282.344 -1.469 20 0 CAADLO CN(CC1CC1)C(=O)C[N@H+]1CC[C@@H](NC(=O)C(N)=O)C1 ZINC001266339477 775117095 /nfs/dbraw/zinc/11/70/95/775117095.db2.gz QZINRJHWRHSECW-SNVBAGLBSA-N 1 2 282.344 -1.469 20 0 CAADLO C[C@H](CNC(=O)c1nnc[nH]1)[N@H+](C)[C@H](C)C(N)=O ZINC001282466759 775117641 /nfs/dbraw/zinc/11/76/41/775117641.db2.gz DGCVWIBFIBXGDS-RNFRBKRXSA-N 1 2 254.294 -1.271 20 0 CAADLO C[C@H](CNC(=O)c1nnc[nH]1)[N@@H+](C)[C@H](C)C(N)=O ZINC001282466759 775117648 /nfs/dbraw/zinc/11/76/48/775117648.db2.gz DGCVWIBFIBXGDS-RNFRBKRXSA-N 1 2 254.294 -1.271 20 0 CAADLO C[C@H](CNC(=O)c1ncn[nH]1)[N@H+](C)[C@H](C)C(N)=O ZINC001282466759 775117651 /nfs/dbraw/zinc/11/76/51/775117651.db2.gz DGCVWIBFIBXGDS-RNFRBKRXSA-N 1 2 254.294 -1.271 20 0 CAADLO C[C@H](CNC(=O)c1ncn[nH]1)[N@@H+](C)[C@H](C)C(N)=O ZINC001282466759 775117655 /nfs/dbraw/zinc/11/76/55/775117655.db2.gz DGCVWIBFIBXGDS-RNFRBKRXSA-N 1 2 254.294 -1.271 20 0 CAADLO C[C@H](CNC(=O)c1nc[nH]n1)[N@H+](C)[C@H](C)C(N)=O ZINC001282466759 775117658 /nfs/dbraw/zinc/11/76/58/775117658.db2.gz DGCVWIBFIBXGDS-RNFRBKRXSA-N 1 2 254.294 -1.271 20 0 CAADLO C[C@H](CNC(=O)c1nc[nH]n1)[N@@H+](C)[C@H](C)C(N)=O ZINC001282466759 775117662 /nfs/dbraw/zinc/11/76/62/775117662.db2.gz DGCVWIBFIBXGDS-RNFRBKRXSA-N 1 2 254.294 -1.271 20 0 CAADLO CC[C@@H](C)NC(=O)C[N@@H+]1CC[C@@H](NC(=O)C(N)=O)C1 ZINC001266339741 775118693 /nfs/dbraw/zinc/11/86/93/775118693.db2.gz WVLYMBHJCLDYBK-RKDXNWHRSA-N 1 2 270.333 -1.423 20 0 CAADLO CC[C@@H](C)NC(=O)C[N@H+]1CC[C@@H](NC(=O)C(N)=O)C1 ZINC001266339741 775118699 /nfs/dbraw/zinc/11/86/99/775118699.db2.gz WVLYMBHJCLDYBK-RKDXNWHRSA-N 1 2 270.333 -1.423 20 0 CAADLO CC[C@H](C)NC(=O)C[N@@H+]1CC[C@@H](NC(=O)C(N)=O)C1 ZINC001266339739 775118970 /nfs/dbraw/zinc/11/89/70/775118970.db2.gz WVLYMBHJCLDYBK-DTWKUNHWSA-N 1 2 270.333 -1.423 20 0 CAADLO CC[C@H](C)NC(=O)C[N@H+]1CC[C@@H](NC(=O)C(N)=O)C1 ZINC001266339739 775118974 /nfs/dbraw/zinc/11/89/74/775118974.db2.gz WVLYMBHJCLDYBK-DTWKUNHWSA-N 1 2 270.333 -1.423 20 0 CAADLO CC[C@H](C)NC(=O)C[N@@H+]1CC[C@H](NC(=O)C(N)=O)C1 ZINC001266339740 775119082 /nfs/dbraw/zinc/11/90/82/775119082.db2.gz WVLYMBHJCLDYBK-IUCAKERBSA-N 1 2 270.333 -1.423 20 0 CAADLO CC[C@H](C)NC(=O)C[N@H+]1CC[C@H](NC(=O)C(N)=O)C1 ZINC001266339740 775119086 /nfs/dbraw/zinc/11/90/86/775119086.db2.gz WVLYMBHJCLDYBK-IUCAKERBSA-N 1 2 270.333 -1.423 20 0 CAADLO CN1CC[C@H]([N@H+](C)CCNC(=O)c2nnc[nH]2)C1=O ZINC001266339954 775119457 /nfs/dbraw/zinc/11/94/57/775119457.db2.gz CFMFIVMURWXOQO-QMMMGPOBSA-N 1 2 266.305 -1.303 20 0 CAADLO CN1CC[C@H]([N@@H+](C)CCNC(=O)c2nnc[nH]2)C1=O ZINC001266339954 775119463 /nfs/dbraw/zinc/11/94/63/775119463.db2.gz CFMFIVMURWXOQO-QMMMGPOBSA-N 1 2 266.305 -1.303 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)C2(C(N)=O)CC2)C1 ZINC001266339844 775119564 /nfs/dbraw/zinc/11/95/64/775119564.db2.gz YZQHMKDSEAMNTO-SFYZADRCSA-N 1 2 268.317 -1.684 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)C2(C(N)=O)CC2)C1 ZINC001266339844 775119572 /nfs/dbraw/zinc/11/95/72/775119572.db2.gz YZQHMKDSEAMNTO-SFYZADRCSA-N 1 2 268.317 -1.684 20 0 CAADLO CC[C@@H](C)NC(=O)C[N@@H+]1CC[C@H](NC(=O)C(N)=O)C1 ZINC001266339738 775119757 /nfs/dbraw/zinc/11/97/57/775119757.db2.gz WVLYMBHJCLDYBK-BDAKNGLRSA-N 1 2 270.333 -1.423 20 0 CAADLO CC[C@@H](C)NC(=O)C[N@H+]1CC[C@H](NC(=O)C(N)=O)C1 ZINC001266339738 775119766 /nfs/dbraw/zinc/11/97/66/775119766.db2.gz WVLYMBHJCLDYBK-BDAKNGLRSA-N 1 2 270.333 -1.423 20 0 CAADLO C[N@H+](CCNC(=O)CCn1cnnn1)CC(N)=O ZINC001266342313 775119864 /nfs/dbraw/zinc/11/98/64/775119864.db2.gz LYUPDPVBGAHEAD-UHFFFAOYSA-N 1 2 255.282 -2.404 20 0 CAADLO C[N@@H+](CCNC(=O)CCn1cnnn1)CC(N)=O ZINC001266342313 775119870 /nfs/dbraw/zinc/11/98/70/775119870.db2.gz LYUPDPVBGAHEAD-UHFFFAOYSA-N 1 2 255.282 -2.404 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)C2(C(N)=O)CC2)C1 ZINC001266339845 775119994 /nfs/dbraw/zinc/11/99/94/775119994.db2.gz YZQHMKDSEAMNTO-YUMQZZPRSA-N 1 2 268.317 -1.684 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)C2(C(N)=O)CC2)C1 ZINC001266339845 775119999 /nfs/dbraw/zinc/11/99/99/775119999.db2.gz YZQHMKDSEAMNTO-YUMQZZPRSA-N 1 2 268.317 -1.684 20 0 CAADLO C[N@H+](CCNC(=O)[C@@H]1C[C@@]12CCOC2)CC(N)=O ZINC001266347210 775120923 /nfs/dbraw/zinc/12/09/23/775120923.db2.gz IDZBAAOHMRXHPV-JOYOIKCWSA-N 1 2 255.318 -1.054 20 0 CAADLO C[N@@H+](CCNC(=O)[C@@H]1C[C@@]12CCOC2)CC(N)=O ZINC001266347210 775120928 /nfs/dbraw/zinc/12/09/28/775120928.db2.gz IDZBAAOHMRXHPV-JOYOIKCWSA-N 1 2 255.318 -1.054 20 0 CAADLO CNC(=O)C[N@H+](C)CCNC(=O)CN1CC(=O)N(C)C1=O ZINC001266346754 775121680 /nfs/dbraw/zinc/12/16/80/775121680.db2.gz BJTFOUCQOQFTJR-UHFFFAOYSA-N 1 2 299.331 -2.326 20 0 CAADLO CNC(=O)C[N@@H+](C)CCNC(=O)CN1CC(=O)N(C)C1=O ZINC001266346754 775121686 /nfs/dbraw/zinc/12/16/86/775121686.db2.gz BJTFOUCQOQFTJR-UHFFFAOYSA-N 1 2 299.331 -2.326 20 0 CAADLO C[N@H+](CCNC(=O)Cn1ccccc1=O)CC(N)=O ZINC001266358548 775122751 /nfs/dbraw/zinc/12/27/51/775122751.db2.gz VYBPWOQCOPYMBD-UHFFFAOYSA-N 1 2 266.301 -1.618 20 0 CAADLO C[N@@H+](CCNC(=O)Cn1ccccc1=O)CC(N)=O ZINC001266358548 775122755 /nfs/dbraw/zinc/12/27/55/775122755.db2.gz VYBPWOQCOPYMBD-UHFFFAOYSA-N 1 2 266.301 -1.618 20 0 CAADLO C[N@H+](CCNC(=O)CN1C(=O)CNC1=O)CC(N)=O ZINC001266357218 775124014 /nfs/dbraw/zinc/12/40/14/775124014.db2.gz PKVGKRJERSCNNI-UHFFFAOYSA-N 1 2 271.277 -2.929 20 0 CAADLO C[N@@H+](CCNC(=O)CN1C(=O)CNC1=O)CC(N)=O ZINC001266357218 775124017 /nfs/dbraw/zinc/12/40/17/775124017.db2.gz PKVGKRJERSCNNI-UHFFFAOYSA-N 1 2 271.277 -2.929 20 0 CAADLO CNC(=O)C[N@H+](C)CCNC(=O)C[C@H]1CC(=O)NC1=O ZINC001266367633 775125149 /nfs/dbraw/zinc/12/51/49/775125149.db2.gz GLZKYBNDTVPSFL-QMMMGPOBSA-N 1 2 284.316 -2.167 20 0 CAADLO CNC(=O)C[N@@H+](C)CCNC(=O)C[C@H]1CC(=O)NC1=O ZINC001266367633 775125154 /nfs/dbraw/zinc/12/51/54/775125154.db2.gz GLZKYBNDTVPSFL-QMMMGPOBSA-N 1 2 284.316 -2.167 20 0 CAADLO CC[N@H+](CCNC(=O)c1cnn[nH]1)[C@H]1CCC(=O)NC1=O ZINC001266400407 775128039 /nfs/dbraw/zinc/12/80/39/775128039.db2.gz LUYNITJNTJFRRJ-VIFPVBQESA-N 1 2 294.315 -1.338 20 0 CAADLO CC[N@@H+](CCNC(=O)c1cnn[nH]1)[C@H]1CCC(=O)NC1=O ZINC001266400407 775128043 /nfs/dbraw/zinc/12/80/43/775128043.db2.gz LUYNITJNTJFRRJ-VIFPVBQESA-N 1 2 294.315 -1.338 20 0 CAADLO Cn1nnc(C[NH2+][C@H](CNC(=O)CC(N)=O)C2CC2)n1 ZINC001266400948 775128418 /nfs/dbraw/zinc/12/84/18/775128418.db2.gz FNMKRFPIGXFPLV-MRVPVSSYSA-N 1 2 281.320 -1.930 20 0 CAADLO C[C@@H](C(=O)N1CCC(O)CC1)N1CC[NH2+]CC1=O ZINC000705746933 775128582 /nfs/dbraw/zinc/12/85/82/775128582.db2.gz ZFCBTQRJFNCJEW-VIFPVBQESA-N 1 2 255.318 -1.210 20 0 CAADLO CC[N@H+](CCNC(=O)C(N)=O)CC(=O)NC1CC1 ZINC001266413652 775129559 /nfs/dbraw/zinc/12/95/59/775129559.db2.gz QQAXQZZNLRPQNR-UHFFFAOYSA-N 1 2 256.306 -1.812 20 0 CAADLO CC[N@@H+](CCNC(=O)C(N)=O)CC(=O)NC1CC1 ZINC001266413652 775129565 /nfs/dbraw/zinc/12/95/65/775129565.db2.gz QQAXQZZNLRPQNR-UHFFFAOYSA-N 1 2 256.306 -1.812 20 0 CAADLO CN(Cc1cn(C)nn1)C(=O)CN1CC[NH2+]CC1=O ZINC000705930850 775133028 /nfs/dbraw/zinc/13/30/28/775133028.db2.gz BSGUTLJGCDKJKX-UHFFFAOYSA-N 1 2 266.305 -1.795 20 0 CAADLO CCCNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)C(N)=O ZINC001266479962 775134265 /nfs/dbraw/zinc/13/42/65/775134265.db2.gz HFWZGSWYAZPRKR-SECBINFHSA-N 1 2 270.333 -1.422 20 0 CAADLO CCCNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)C(N)=O ZINC001266479962 775134272 /nfs/dbraw/zinc/13/42/72/775134272.db2.gz HFWZGSWYAZPRKR-SECBINFHSA-N 1 2 270.333 -1.422 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NCC(F)F ZINC001266471280 775134605 /nfs/dbraw/zinc/13/46/05/775134605.db2.gz LUXAHPMHLVEJCW-SSDOTTSWSA-N 1 2 292.286 -1.566 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NCC(F)F ZINC001266471280 775134607 /nfs/dbraw/zinc/13/46/07/775134607.db2.gz LUXAHPMHLVEJCW-SSDOTTSWSA-N 1 2 292.286 -1.566 20 0 CAADLO Cn1cnnc1C[N@@H+]1CC[C@@H](CNC(=O)C(N)=O)C1 ZINC001266527997 775141401 /nfs/dbraw/zinc/14/14/01/775141401.db2.gz HURATACKXNRPCU-QMMMGPOBSA-N 1 2 266.305 -1.762 20 0 CAADLO Cn1cnnc1C[N@H+]1CC[C@@H](CNC(=O)C(N)=O)C1 ZINC001266527997 775141405 /nfs/dbraw/zinc/14/14/05/775141405.db2.gz HURATACKXNRPCU-QMMMGPOBSA-N 1 2 266.305 -1.762 20 0 CAADLO CNC(=O)C[NH2+][C@@H]1CCCN(C(=O)Cc2ncn[nH]2)C1 ZINC001210585031 775144114 /nfs/dbraw/zinc/14/41/14/775144114.db2.gz OIRSUUGSSNHGBD-SECBINFHSA-N 1 2 280.332 -1.326 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+]1CC[C@@H]1CNC(=O)c1cc(=O)n(C)o1 ZINC001038197162 775144486 /nfs/dbraw/zinc/14/44/86/775144486.db2.gz DVXYYRAWRAYHKX-RKDXNWHRSA-N 1 2 296.327 -1.083 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+]1CC[C@@H]1CNC(=O)c1cc(=O)n(C)o1 ZINC001038197162 775144493 /nfs/dbraw/zinc/14/44/93/775144493.db2.gz DVXYYRAWRAYHKX-RKDXNWHRSA-N 1 2 296.327 -1.083 20 0 CAADLO CNC(=O)C[NH2+][C@H]1CCCN(C(=O)Cc2ncn[nH]2)C1 ZINC001210585037 775145021 /nfs/dbraw/zinc/14/50/21/775145021.db2.gz OIRSUUGSSNHGBD-VIFPVBQESA-N 1 2 280.332 -1.326 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+]1CC[C@@H]1CNC(=O)c1cc(=O)n(C)o1 ZINC001038197157 775145097 /nfs/dbraw/zinc/14/50/97/775145097.db2.gz DVXYYRAWRAYHKX-DTWKUNHWSA-N 1 2 296.327 -1.083 20 0 CAADLO CNC(=O)[C@H](C)[N@H+]1CC[C@@H]1CNC(=O)c1cc(=O)n(C)o1 ZINC001038197157 775145105 /nfs/dbraw/zinc/14/51/05/775145105.db2.gz DVXYYRAWRAYHKX-DTWKUNHWSA-N 1 2 296.327 -1.083 20 0 CAADLO Cn1cnnc1C[NH2+]CCNC(=O)CCc1nnc[nH]1 ZINC001125419522 775145971 /nfs/dbraw/zinc/14/59/71/775145971.db2.gz IOMMKAZWMGRKNN-UHFFFAOYSA-N 1 2 278.320 -1.228 20 0 CAADLO Cn1nnc(C[NH2+]CCCNC(=O)Cc2c[nH]cn2)n1 ZINC001167355731 775146987 /nfs/dbraw/zinc/14/69/87/775146987.db2.gz YCGWVVRITNURSJ-UHFFFAOYSA-N 1 2 278.320 -1.228 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+]1CC[C@@H]1CNC(=O)C1CN(C(C)=O)C1 ZINC001038205242 775156402 /nfs/dbraw/zinc/15/64/02/775156402.db2.gz RKQYTIIAAGODMC-BXKDBHETSA-N 1 2 296.371 -1.210 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+]1CC[C@@H]1CNC(=O)C1CN(C(C)=O)C1 ZINC001038205242 775156407 /nfs/dbraw/zinc/15/64/07/775156407.db2.gz RKQYTIIAAGODMC-BXKDBHETSA-N 1 2 296.371 -1.210 20 0 CAADLO CC[C@@H](C(N)=O)[N@@H+]1CC[C@H]1CNC(=O)C1CN(C(C)=O)C1 ZINC001038205427 775157050 /nfs/dbraw/zinc/15/70/50/775157050.db2.gz SJGCGPDBGIYVNL-RYUDHWBXSA-N 1 2 296.371 -1.081 20 0 CAADLO CC[C@@H](C(N)=O)[N@H+]1CC[C@H]1CNC(=O)C1CN(C(C)=O)C1 ZINC001038205427 775157055 /nfs/dbraw/zinc/15/70/55/775157055.db2.gz SJGCGPDBGIYVNL-RYUDHWBXSA-N 1 2 296.371 -1.081 20 0 CAADLO CC[C@H](C(N)=O)[N@@H+]1CC[C@H]1CNC(=O)C1CN(C(C)=O)C1 ZINC001038205425 775157233 /nfs/dbraw/zinc/15/72/33/775157233.db2.gz SJGCGPDBGIYVNL-NWDGAFQWSA-N 1 2 296.371 -1.081 20 0 CAADLO CC[C@H](C(N)=O)[N@H+]1CC[C@H]1CNC(=O)C1CN(C(C)=O)C1 ZINC001038205425 775157241 /nfs/dbraw/zinc/15/72/41/775157241.db2.gz SJGCGPDBGIYVNL-NWDGAFQWSA-N 1 2 296.371 -1.081 20 0 CAADLO O=C(NC[C@@H]1CC[N@@H+]1[C@H]1CCNC1=O)c1ccc(=O)[nH]n1 ZINC001038038088 775160054 /nfs/dbraw/zinc/16/00/54/775160054.db2.gz VDTCTDFGAUYLPT-WPRPVWTQSA-N 1 2 291.311 -1.125 20 0 CAADLO O=C(NC[C@@H]1CC[N@H+]1[C@H]1CCNC1=O)c1ccc(=O)[nH]n1 ZINC001038038088 775160065 /nfs/dbraw/zinc/16/00/65/775160065.db2.gz VDTCTDFGAUYLPT-WPRPVWTQSA-N 1 2 291.311 -1.125 20 0 CAADLO CN(CC[NH2+]Cc1cnsn1)C(=O)Cn1ncnn1 ZINC001266701742 775163515 /nfs/dbraw/zinc/16/35/15/775163515.db2.gz CVNBZYIYRBMXGZ-UHFFFAOYSA-N 1 2 282.333 -1.227 20 0 CAADLO O=C(CCn1cc[nH+]c1)NCCNC(=O)[C@@H]1CCNC1=O ZINC001283127648 775167986 /nfs/dbraw/zinc/16/79/86/775167986.db2.gz RMQACGAKGFFJKI-SNVBAGLBSA-N 1 2 293.327 -1.358 20 0 CAADLO Cn1ncnc1C[N@@H+]1CCC[C@H](CNC(=O)C(N)=O)C1 ZINC001266761099 775169011 /nfs/dbraw/zinc/16/90/11/775169011.db2.gz TVTUTWXZRMRAMW-SECBINFHSA-N 1 2 280.332 -1.371 20 0 CAADLO Cn1ncnc1C[N@H+]1CCC[C@H](CNC(=O)C(N)=O)C1 ZINC001266761099 775169015 /nfs/dbraw/zinc/16/90/15/775169015.db2.gz TVTUTWXZRMRAMW-SECBINFHSA-N 1 2 280.332 -1.371 20 0 CAADLO CCCCNC(=O)C[N@H+](C)CCNC(=O)C(N)=O ZINC001267214273 775215016 /nfs/dbraw/zinc/21/50/16/775215016.db2.gz QWKWPIQTKBXCIM-UHFFFAOYSA-N 1 2 258.322 -1.564 20 0 CAADLO CCCCNC(=O)C[N@@H+](C)CCNC(=O)C(N)=O ZINC001267214273 775215020 /nfs/dbraw/zinc/21/50/20/775215020.db2.gz QWKWPIQTKBXCIM-UHFFFAOYSA-N 1 2 258.322 -1.564 20 0 CAADLO CN(CC[NH2+]Cc1nc(=O)n(C)[nH]1)C(=O)[C@H]1CNC(=O)N1 ZINC001266822416 775175320 /nfs/dbraw/zinc/17/53/20/775175320.db2.gz WTEIWVKWKSDTEW-SSDOTTSWSA-N 1 2 297.319 -2.662 20 0 CAADLO Cc1cnc(C[NH2+]CCN(C)C(=O)C(N)=O)nc1 ZINC001266824840 775175535 /nfs/dbraw/zinc/17/55/35/775175535.db2.gz TZKKUMHNRKTIEE-UHFFFAOYSA-N 1 2 251.290 -1.182 20 0 CAADLO CCOc1nnc(C[NH2+]CCN(C)C(=O)C(N)=O)s1 ZINC001266824808 775175627 /nfs/dbraw/zinc/17/56/27/775175627.db2.gz SHZBZNKVOSUIFC-UHFFFAOYSA-N 1 2 287.345 -1.030 20 0 CAADLO CN(CC[NH2+]Cc1nc(=O)n(C)[nH]1)C(=O)c1cnn(C)n1 ZINC001266887745 775179656 /nfs/dbraw/zinc/17/96/56/775179656.db2.gz BJXYJHLBLQSORH-UHFFFAOYSA-N 1 2 294.319 -1.901 20 0 CAADLO Cn1cnc(C(=O)NC[C@H]2CC[N@@H+]2CCn2cncn2)n1 ZINC001038223697 775180283 /nfs/dbraw/zinc/18/02/83/775180283.db2.gz CPMKJNZKHATILB-SNVBAGLBSA-N 1 2 290.331 -1.089 20 0 CAADLO Cn1cnc(C(=O)NC[C@H]2CC[N@H+]2CCn2cncn2)n1 ZINC001038223697 775180288 /nfs/dbraw/zinc/18/02/88/775180288.db2.gz CPMKJNZKHATILB-SNVBAGLBSA-N 1 2 290.331 -1.089 20 0 CAADLO Cn1cc(C(=O)NC[C@H]2CC[N@@H+]2[C@H]2CCCNC2=O)nn1 ZINC001038228221 775183915 /nfs/dbraw/zinc/18/39/15/775183915.db2.gz WQDGSOLTNVEQLU-KOLCDFICSA-N 1 2 292.343 -1.102 20 0 CAADLO Cn1cc(C(=O)NC[C@H]2CC[N@H+]2[C@H]2CCCNC2=O)nn1 ZINC001038228221 775183920 /nfs/dbraw/zinc/18/39/20/775183920.db2.gz WQDGSOLTNVEQLU-KOLCDFICSA-N 1 2 292.343 -1.102 20 0 CAADLO C[C@@H](CNC(=O)C(F)F)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001266918278 775183948 /nfs/dbraw/zinc/18/39/48/775183948.db2.gz VSLONHKCMWEYTL-YFKPBYRVSA-N 1 2 263.248 -1.032 20 0 CAADLO C[C@H](CNC(=O)C(F)F)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001266918277 775184437 /nfs/dbraw/zinc/18/44/37/775184437.db2.gz VSLONHKCMWEYTL-RXMQYKEDSA-N 1 2 263.248 -1.032 20 0 CAADLO Cc1nnc(C[NH2+][C@@H](C)CNC(=O)CC(N)=O)o1 ZINC001266930284 775186243 /nfs/dbraw/zinc/18/62/43/775186243.db2.gz RJEPSHJJJRPLBS-LURJTMIESA-N 1 2 255.278 -1.152 20 0 CAADLO CCCNC(=O)C[NH2+]CCN(C)C(=O)Cc1ncn[nH]1 ZINC001266965794 775189098 /nfs/dbraw/zinc/18/90/98/775189098.db2.gz CSCWJGSRXQDNIZ-UHFFFAOYSA-N 1 2 282.348 -1.079 20 0 CAADLO C[C@H](CNC(=O)Cn1cncn1)[NH2+]Cc1cnon1 ZINC001266991855 775190923 /nfs/dbraw/zinc/19/09/23/775190923.db2.gz SVHUJVCXHCFKDW-MRVPVSSYSA-N 1 2 265.277 -1.044 20 0 CAADLO C[C@@H](CNC(=O)c1nnc[nH]1)[NH2+]Cc1cn(C)nn1 ZINC001266979635 775191892 /nfs/dbraw/zinc/19/18/92/775191892.db2.gz JEOWVEZQBFXURY-ZETCQYMHSA-N 1 2 264.293 -1.159 20 0 CAADLO CC(C)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1nnc[nH]1 ZINC001114990131 775198519 /nfs/dbraw/zinc/19/85/19/775198519.db2.gz YYCIOEIAQGZISS-JZYVYDRUSA-N 1 2 292.343 -1.011 20 0 CAADLO CC(C)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ncn[nH]1 ZINC001114990131 775198525 /nfs/dbraw/zinc/19/85/25/775198525.db2.gz YYCIOEIAQGZISS-JZYVYDRUSA-N 1 2 292.343 -1.011 20 0 CAADLO CC(C)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ncn[nH]1 ZINC001114990131 775198528 /nfs/dbraw/zinc/19/85/28/775198528.db2.gz YYCIOEIAQGZISS-JZYVYDRUSA-N 1 2 292.343 -1.011 20 0 CAADLO Cn1[nH]c(C[NH2+]CCNC(=O)[C@H]2CCNC(=O)C2)nc1=O ZINC001125615558 775205462 /nfs/dbraw/zinc/20/54/62/775205462.db2.gz MQTBAKDQTVTYRI-QMMMGPOBSA-N 1 2 296.331 -2.160 20 0 CAADLO Cc1cc(C(=O)NCC[N@H+](C)CC(N)=O)n(C)n1 ZINC001267187793 775209967 /nfs/dbraw/zinc/20/99/67/775209967.db2.gz DDBZPUVITZVODP-UHFFFAOYSA-N 1 2 253.306 -1.125 20 0 CAADLO Cc1cc(C(=O)NCC[N@@H+](C)CC(N)=O)n(C)n1 ZINC001267187793 775209976 /nfs/dbraw/zinc/20/99/76/775209976.db2.gz DDBZPUVITZVODP-UHFFFAOYSA-N 1 2 253.306 -1.125 20 0 CAADLO CCN(C)C(=O)C[N@H+](C)CCNC(=O)CC(N)=O ZINC001267190008 775211303 /nfs/dbraw/zinc/21/13/03/775211303.db2.gz YJXIEKTTZDGYIO-UHFFFAOYSA-N 1 2 258.322 -1.612 20 0 CAADLO CCN(C)C(=O)C[N@@H+](C)CCNC(=O)CC(N)=O ZINC001267190008 775211313 /nfs/dbraw/zinc/21/13/13/775211313.db2.gz YJXIEKTTZDGYIO-UHFFFAOYSA-N 1 2 258.322 -1.612 20 0 CAADLO Cc1cn(C)nc1C(=O)NCC[N@H+](C)CC(N)=O ZINC001267194767 775212114 /nfs/dbraw/zinc/21/21/14/775212114.db2.gz XUNHQUHEGZCVRV-UHFFFAOYSA-N 1 2 253.306 -1.125 20 0 CAADLO CCCNC(=O)C[N@H+](C)CCNC(=O)c1cn[nH]n1 ZINC001267205382 775212041 /nfs/dbraw/zinc/21/20/41/775212041.db2.gz KCXADDDIEBNVNW-UHFFFAOYSA-N 1 2 268.321 -1.008 20 0 CAADLO CCCNC(=O)C[N@@H+](C)CCNC(=O)c1cn[nH]n1 ZINC001267205382 775212050 /nfs/dbraw/zinc/21/20/50/775212050.db2.gz KCXADDDIEBNVNW-UHFFFAOYSA-N 1 2 268.321 -1.008 20 0 CAADLO Cc1cn(C)nc1C(=O)NCC[N@@H+](C)CC(N)=O ZINC001267194767 775212123 /nfs/dbraw/zinc/21/21/23/775212123.db2.gz XUNHQUHEGZCVRV-UHFFFAOYSA-N 1 2 253.306 -1.125 20 0 CAADLO CN1C[C@@H](C(=O)NCC[N@H+](C)CC(N)=O)CC1=O ZINC001267199811 775212271 /nfs/dbraw/zinc/21/22/71/775212271.db2.gz XCMLMZCGCDGUBX-QMMMGPOBSA-N 1 2 256.306 -2.002 20 0 CAADLO CN1C[C@@H](C(=O)NCC[N@@H+](C)CC(N)=O)CC1=O ZINC001267199811 775212276 /nfs/dbraw/zinc/21/22/76/775212276.db2.gz XCMLMZCGCDGUBX-QMMMGPOBSA-N 1 2 256.306 -2.002 20 0 CAADLO CN(C)C(=O)C[N@H+](C)CCNC(=O)C(C)(C)C(N)=O ZINC001267200997 775213517 /nfs/dbraw/zinc/21/35/17/775213517.db2.gz UMRMGPAQSWASFO-UHFFFAOYSA-N 1 2 272.349 -1.366 20 0 CAADLO CN(C)C(=O)C[N@@H+](C)CCNC(=O)C(C)(C)C(N)=O ZINC001267200997 775213520 /nfs/dbraw/zinc/21/35/20/775213520.db2.gz UMRMGPAQSWASFO-UHFFFAOYSA-N 1 2 272.349 -1.366 20 0 CAADLO C[C@@H]1CCCCN1C(=O)C[N@H+](C)CCNC(=O)C(N)=O ZINC001267214429 775215588 /nfs/dbraw/zinc/21/55/88/775215588.db2.gz XQZCZJBZSMCEIW-SNVBAGLBSA-N 1 2 284.360 -1.079 20 0 CAADLO C[C@@H]1CCCCN1C(=O)C[N@@H+](C)CCNC(=O)C(N)=O ZINC001267214429 775215596 /nfs/dbraw/zinc/21/55/96/775215596.db2.gz XQZCZJBZSMCEIW-SNVBAGLBSA-N 1 2 284.360 -1.079 20 0 CAADLO CNC(=O)C[N@H+](C)CCNC(=O)c1cn(C)c(=O)[nH]1 ZINC001267215625 775216347 /nfs/dbraw/zinc/21/63/47/775216347.db2.gz NKRHLANHHOEYTL-UHFFFAOYSA-N 1 2 269.305 -1.467 20 0 CAADLO CNC(=O)C[N@@H+](C)CCNC(=O)c1cn(C)c(=O)[nH]1 ZINC001267215625 775216350 /nfs/dbraw/zinc/21/63/50/775216350.db2.gz NKRHLANHHOEYTL-UHFFFAOYSA-N 1 2 269.305 -1.467 20 0 CAADLO CN1CC[C@@H](C(=O)NCC[N@H+](C)CC(=O)N2CCC2)C1=O ZINC001267210189 775216428 /nfs/dbraw/zinc/21/64/28/775216428.db2.gz ARZDAYFFMDHBLL-NSHDSACASA-N 1 2 296.371 -1.255 20 0 CAADLO CN1CC[C@@H](C(=O)NCC[N@@H+](C)CC(=O)N2CCC2)C1=O ZINC001267210189 775216433 /nfs/dbraw/zinc/21/64/33/775216433.db2.gz ARZDAYFFMDHBLL-NSHDSACASA-N 1 2 296.371 -1.255 20 0 CAADLO CC[C@H](C(N)=O)[N@H+](C)CCNC(=O)Cc1nnc[nH]1 ZINC001267224877 775217687 /nfs/dbraw/zinc/21/76/87/775217687.db2.gz MDRSZKUKHALDGQ-MRVPVSSYSA-N 1 2 268.321 -1.341 20 0 CAADLO CC[C@H](C(N)=O)[N@@H+](C)CCNC(=O)Cc1nnc[nH]1 ZINC001267224877 775217699 /nfs/dbraw/zinc/21/76/99/775217699.db2.gz MDRSZKUKHALDGQ-MRVPVSSYSA-N 1 2 268.321 -1.341 20 0 CAADLO CC[C@@H](C(N)=O)[N@H+](C)CCNC(=O)Cc1nnc[nH]1 ZINC001267224879 775217744 /nfs/dbraw/zinc/21/77/44/775217744.db2.gz MDRSZKUKHALDGQ-QMMMGPOBSA-N 1 2 268.321 -1.341 20 0 CAADLO CC[C@@H](C(N)=O)[N@@H+](C)CCNC(=O)Cc1nnc[nH]1 ZINC001267224879 775217756 /nfs/dbraw/zinc/21/77/56/775217756.db2.gz MDRSZKUKHALDGQ-QMMMGPOBSA-N 1 2 268.321 -1.341 20 0 CAADLO CCNC(=O)C[N@H+](C)CCNC(=O)C1CC(=O)NC(=O)C1 ZINC001267221454 775218850 /nfs/dbraw/zinc/21/88/50/775218850.db2.gz JFJSIYJVPQKVPU-UHFFFAOYSA-N 1 2 298.343 -1.777 20 0 CAADLO CCNC(=O)C[N@@H+](C)CCNC(=O)C1CC(=O)NC(=O)C1 ZINC001267221454 775218855 /nfs/dbraw/zinc/21/88/55/775218855.db2.gz JFJSIYJVPQKVPU-UHFFFAOYSA-N 1 2 298.343 -1.777 20 0 CAADLO CN(C)C(=O)C[N@H+](C)CCNC(=O)Cc1nc[nH]n1 ZINC001267224376 775218985 /nfs/dbraw/zinc/21/89/85/775218985.db2.gz AQDGQUUTTLMBCC-UHFFFAOYSA-N 1 2 268.321 -1.517 20 0 CAADLO CN(C)C(=O)C[N@@H+](C)CCNC(=O)Cc1nc[nH]n1 ZINC001267224376 775218992 /nfs/dbraw/zinc/21/89/92/775218992.db2.gz AQDGQUUTTLMBCC-UHFFFAOYSA-N 1 2 268.321 -1.517 20 0 CAADLO Cc1nccc(C(=O)NCC[N@@H+](C)CC(N)=O)n1 ZINC001267230685 775219162 /nfs/dbraw/zinc/21/91/62/775219162.db2.gz YHYWWGMNXBFFQN-UHFFFAOYSA-N 1 2 251.290 -1.068 20 0 CAADLO Cc1nccc(C(=O)NCC[N@H+](C)CC(N)=O)n1 ZINC001267230685 775219170 /nfs/dbraw/zinc/21/91/70/775219170.db2.gz YHYWWGMNXBFFQN-UHFFFAOYSA-N 1 2 251.290 -1.068 20 0 CAADLO CC[N@H+](CCNC(=O)C(N)=O)Cc1ccnc(OC)n1 ZINC001267248568 775220453 /nfs/dbraw/zinc/22/04/53/775220453.db2.gz DILMBFGTZQBMRH-UHFFFAOYSA-N 1 2 281.316 -1.091 20 0 CAADLO CC[N@@H+](CCNC(=O)C(N)=O)Cc1ccnc(OC)n1 ZINC001267248568 775220457 /nfs/dbraw/zinc/22/04/57/775220457.db2.gz DILMBFGTZQBMRH-UHFFFAOYSA-N 1 2 281.316 -1.091 20 0 CAADLO Cn1ccc(C(=O)NCC[NH2+]Cc2nc(=O)n(C)[nH]2)c1 ZINC001125659345 775220598 /nfs/dbraw/zinc/22/05/98/775220598.db2.gz VBURPYNEODOAAQ-UHFFFAOYSA-N 1 2 278.316 -1.034 20 0 CAADLO CC[N@H+](CCNC(=O)C(N)=O)CC(=O)NC(C)(C)C ZINC001267248507 775220908 /nfs/dbraw/zinc/22/09/08/775220908.db2.gz BASUQCAIHPEGLS-UHFFFAOYSA-N 1 2 272.349 -1.176 20 0 CAADLO CC[N@@H+](CCNC(=O)C(N)=O)CC(=O)NC(C)(C)C ZINC001267248507 775220914 /nfs/dbraw/zinc/22/09/14/775220914.db2.gz BASUQCAIHPEGLS-UHFFFAOYSA-N 1 2 272.349 -1.176 20 0 CAADLO Cn1[nH]c(C[NH2+]CCNC(=O)C[C@@H]2COC(=O)C2)nc1=O ZINC001125677044 775222799 /nfs/dbraw/zinc/22/27/99/775222799.db2.gz ZPZVFACFFPWRAZ-QMMMGPOBSA-N 1 2 297.315 -1.733 20 0 CAADLO CNC(=O)NC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)C(N)=O ZINC001267273544 775222819 /nfs/dbraw/zinc/22/28/19/775222819.db2.gz FXMWTKWTRMMVED-ZETCQYMHSA-N 1 2 285.304 -2.492 20 0 CAADLO CNC(=O)NC(=O)C[N@H+]1CCC[C@H]1CNC(=O)C(N)=O ZINC001267273544 775222824 /nfs/dbraw/zinc/22/28/24/775222824.db2.gz FXMWTKWTRMMVED-ZETCQYMHSA-N 1 2 285.304 -2.492 20 0 CAADLO CS(=O)(=O)CCC[N@@H+]1CCC[C@H]1CNC(=O)C(N)=O ZINC001267275606 775226000 /nfs/dbraw/zinc/22/60/00/775226000.db2.gz YWTLNGSCZNMIQJ-VIFPVBQESA-N 1 2 291.373 -1.513 20 0 CAADLO CS(=O)(=O)CCC[N@H+]1CCC[C@H]1CNC(=O)C(N)=O ZINC001267275606 775226006 /nfs/dbraw/zinc/22/60/06/775226006.db2.gz YWTLNGSCZNMIQJ-VIFPVBQESA-N 1 2 291.373 -1.513 20 0 CAADLO CN(CC[NH2+]Cc1cnsn1)C(=O)Cn1cnnn1 ZINC001267344413 775233079 /nfs/dbraw/zinc/23/30/79/775233079.db2.gz XGEKBXLFYXXUOK-UHFFFAOYSA-N 1 2 282.333 -1.227 20 0 CAADLO CN(CC[NH2+]Cc1csnn1)C(=O)CC(N)=O ZINC001267359064 775234029 /nfs/dbraw/zinc/23/40/29/775234029.db2.gz ZLSQVLGMOLOWLI-UHFFFAOYSA-N 1 2 257.319 -1.039 20 0 CAADLO Cn1[nH]c(C[NH2+]CCNC(=O)[C@H]2CCCCO2)nc1=O ZINC001125718475 775235889 /nfs/dbraw/zinc/23/58/89/775235889.db2.gz RUIGBVOFLXWGDY-SECBINFHSA-N 1 2 283.332 -1.117 20 0 CAADLO Cn1[nH]c(C[NH2+]CCNC(=O)[C@@H]2CCCCO2)nc1=O ZINC001125718476 775236010 /nfs/dbraw/zinc/23/60/10/775236010.db2.gz RUIGBVOFLXWGDY-VIFPVBQESA-N 1 2 283.332 -1.117 20 0 CAADLO CN(CC[NH2+]Cc1csnn1)C(=O)Cn1ncnn1 ZINC001267374043 775236905 /nfs/dbraw/zinc/23/69/05/775236905.db2.gz SUAJVXYOTLVOSR-UHFFFAOYSA-N 1 2 282.333 -1.227 20 0 CAADLO CN(CC[NH2+]Cc1nc(=O)n(C)[nH]1)C(=O)c1cn(C)nn1 ZINC001267368735 775237319 /nfs/dbraw/zinc/23/73/19/775237319.db2.gz CNFMJFULSZNGGM-UHFFFAOYSA-N 1 2 294.319 -1.901 20 0 CAADLO Cc1cc(C(=O)NCC[NH2+]Cc2nc(=O)n(C)[nH]2)ncn1 ZINC001125761416 775240541 /nfs/dbraw/zinc/24/05/41/775240541.db2.gz IYJZMFSNEOBISC-UHFFFAOYSA-N 1 2 291.315 -1.274 20 0 CAADLO CCNC(=O)C[NH2+]CCN(C)C(=O)Cc1ncn[nH]1 ZINC001267455492 775244708 /nfs/dbraw/zinc/24/47/08/775244708.db2.gz QTWRMCAQFIBMNH-UHFFFAOYSA-N 1 2 268.321 -1.469 20 0 CAADLO COC[C@@H](O)CN1CC[NH+](CC[S@](C)=O)CC1 ZINC001167686625 775247177 /nfs/dbraw/zinc/24/71/77/775247177.db2.gz SYFLQMDWYSQIKC-GTNSWQLSSA-N 1 2 264.391 -1.010 20 0 CAADLO COC[C@@H](O)C[NH+]1CCN(CC[S@](C)=O)CC1 ZINC001167686625 775247179 /nfs/dbraw/zinc/24/71/79/775247179.db2.gz SYFLQMDWYSQIKC-GTNSWQLSSA-N 1 2 264.391 -1.010 20 0 CAADLO CC(C)[N@H+](C)CC(=O)N(C)CCNCc1nc(=O)n(C)[nH]1 ZINC001267473694 775249540 /nfs/dbraw/zinc/24/95/40/775249540.db2.gz ISAKCJKZJQOJHV-UHFFFAOYSA-N 1 2 298.391 -1.003 20 0 CAADLO CC(C)[N@@H+](C)CC(=O)N(C)CCNCc1nc(=O)n(C)[nH]1 ZINC001267473694 775249545 /nfs/dbraw/zinc/24/95/45/775249545.db2.gz ISAKCJKZJQOJHV-UHFFFAOYSA-N 1 2 298.391 -1.003 20 0 CAADLO COCC(=O)N1CC[C@H](n2cc(C[NH2+]CC(N)=O)nn2)C1 ZINC001098586527 775249673 /nfs/dbraw/zinc/24/96/73/775249673.db2.gz HPDNGTURXYFRAJ-JTQLQIEISA-N 1 2 296.331 -1.727 20 0 CAADLO CC(=O)N1CC[C@H](n2cc(C[NH2+]CC(N)=O)nn2)C1 ZINC001098587937 775250991 /nfs/dbraw/zinc/25/09/91/775250991.db2.gz CIVHVKJDAIQROV-JTQLQIEISA-N 1 2 266.305 -1.354 20 0 CAADLO CC(=O)N1CC[C@@H](n2cc(C[NH2+]CC(N)=O)nn2)C1 ZINC001098587938 775251026 /nfs/dbraw/zinc/25/10/26/775251026.db2.gz CIVHVKJDAIQROV-SNVBAGLBSA-N 1 2 266.305 -1.354 20 0 CAADLO CNC(=O)C[NH2+]Cc1cn([C@@H]2CCN(C(C)=O)C2)nn1 ZINC001098589266 775252203 /nfs/dbraw/zinc/25/22/03/775252203.db2.gz UMRDFAOMHVHABL-LLVKDONJSA-N 1 2 280.332 -1.093 20 0 CAADLO NC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)c3cc[n+]([O-])cc3)[C@@H]2C1 ZINC001075518649 775261285 /nfs/dbraw/zinc/26/12/85/775261285.db2.gz RBUKDAJIQQMFJA-NWDGAFQWSA-N 1 2 290.323 -1.048 20 0 CAADLO NC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)c3cc[n+]([O-])cc3)[C@@H]2C1 ZINC001075518649 775261291 /nfs/dbraw/zinc/26/12/91/775261291.db2.gz RBUKDAJIQQMFJA-NWDGAFQWSA-N 1 2 290.323 -1.048 20 0 CAADLO CN(CC[NH+]1CCN(CC(N)=O)CC1)C(=O)CC(N)=O ZINC001267606304 775262779 /nfs/dbraw/zinc/26/27/79/775262779.db2.gz USFWPHFLNAFMGC-UHFFFAOYSA-N 1 2 285.348 -2.577 20 0 CAADLO Cc1[nH+]c[nH]c1CC(=O)NCCN(CCO)C(=O)C(N)=O ZINC001058638697 775263846 /nfs/dbraw/zinc/26/38/46/775263846.db2.gz DMVMWMHYVFLEDF-UHFFFAOYSA-N 1 2 297.315 -2.317 20 0 CAADLO [NH3+][C@@H]1NCN(C(=O)[C@@H]2CCCS2(=O)=O)[C@H]2NCN[C@H]21 ZINC001143484681 775266993 /nfs/dbraw/zinc/26/69/93/775266993.db2.gz VXBVABAFBVFYDS-RBXMUDONSA-N 1 2 289.361 -2.917 20 0 CAADLO [NH3+][C@@H]1NCN(C(=O)[C@@H]2CCCS2(=O)=O)[C@@H]2NCN[C@H]21 ZINC001143484680 775267197 /nfs/dbraw/zinc/26/71/97/775267197.db2.gz VXBVABAFBVFYDS-MAUMQABQSA-N 1 2 289.361 -2.917 20 0 CAADLO NC(=O)C(=O)N(CCO)CCNC(=O)CCn1cc[nH+]c1 ZINC001058643520 775269603 /nfs/dbraw/zinc/26/96/03/775269603.db2.gz STJOBSHVYSGCOO-UHFFFAOYSA-N 1 2 297.315 -2.304 20 0 CAADLO NC(=O)C(=O)N(CCO)CCNC(=O)Cn1cc[nH+]c1 ZINC001058643282 775269944 /nfs/dbraw/zinc/26/99/44/775269944.db2.gz JXTRDOFWYDQZLX-UHFFFAOYSA-N 1 2 283.288 -2.695 20 0 CAADLO CCN(CC)C(=O)C[N@@H+]1CCC[C@@H](NC(=O)C(N)=O)C1 ZINC001267617757 775271019 /nfs/dbraw/zinc/27/10/19/775271019.db2.gz ITGIHMNESAXLIU-SNVBAGLBSA-N 1 2 284.360 -1.079 20 0 CAADLO CCN(CC)C(=O)C[N@H+]1CCC[C@@H](NC(=O)C(N)=O)C1 ZINC001267617757 775271023 /nfs/dbraw/zinc/27/10/23/775271023.db2.gz ITGIHMNESAXLIU-SNVBAGLBSA-N 1 2 284.360 -1.079 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@@H](NC(=O)C2(C(N)=O)CC2)C1 ZINC001267618172 775271148 /nfs/dbraw/zinc/27/11/48/775271148.db2.gz MZHLBINFIJBPAU-MRVPVSSYSA-N 1 2 268.317 -1.682 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@@H](NC(=O)C2(C(N)=O)CC2)C1 ZINC001267618172 775271158 /nfs/dbraw/zinc/27/11/58/775271158.db2.gz MZHLBINFIJBPAU-MRVPVSSYSA-N 1 2 268.317 -1.682 20 0 CAADLO CCCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](NC(=O)C(N)=O)C1 ZINC001267629906 775274622 /nfs/dbraw/zinc/27/46/22/775274622.db2.gz QNYSNKCBPOKJNZ-ZJUUUORDSA-N 1 2 284.360 -1.033 20 0 CAADLO CCCNC(=O)[C@@H](C)[N@H+]1CCC[C@H](NC(=O)C(N)=O)C1 ZINC001267629906 775274623 /nfs/dbraw/zinc/27/46/23/775274623.db2.gz QNYSNKCBPOKJNZ-ZJUUUORDSA-N 1 2 284.360 -1.033 20 0 CAADLO CC(C)NC(=O)NCC[N@@H+]1CCC[C@H](NC(=O)C(N)=O)C1 ZINC001267629930 775274919 /nfs/dbraw/zinc/27/49/19/775274919.db2.gz RFPKKJIORODIMI-JTQLQIEISA-N 1 2 299.375 -1.240 20 0 CAADLO CC(C)NC(=O)NCC[N@H+]1CCC[C@H](NC(=O)C(N)=O)C1 ZINC001267629930 775274925 /nfs/dbraw/zinc/27/49/25/775274925.db2.gz RFPKKJIORODIMI-JTQLQIEISA-N 1 2 299.375 -1.240 20 0 CAADLO CO[C@H](C)C[NH+]1CC(NC(=O)[C@H](C)NC(N)=O)C1 ZINC001267643490 775276290 /nfs/dbraw/zinc/27/62/90/775276290.db2.gz QWFDRRRSYZEGQA-SFYZADRCSA-N 1 2 258.322 -1.122 20 0 CAADLO CO[C@@H](C)C[NH+]1CC(NC(=O)[C@H](C)NC(N)=O)C1 ZINC001267643491 775276722 /nfs/dbraw/zinc/27/67/22/775276722.db2.gz QWFDRRRSYZEGQA-YUMQZZPRSA-N 1 2 258.322 -1.122 20 0 CAADLO CCN1C[C@H](C(=O)NC2C[NH+](CCOCCO)C2)CC1=O ZINC001267648237 775277553 /nfs/dbraw/zinc/27/75/53/775277553.db2.gz SZOHSWUIJWTQLM-LLVKDONJSA-N 1 2 299.371 -1.336 20 0 CAADLO CNC(=O)NCCC(=O)NC1C[NH+](CCOCCO)C1 ZINC001267644227 775277688 /nfs/dbraw/zinc/27/76/88/775277688.db2.gz KBYLIPYZYJZFNH-UHFFFAOYSA-N 1 2 288.348 -1.885 20 0 CAADLO CCN1C[C@@H](C(=O)NC2C[NH+](CCOCCO)C2)CC1=O ZINC001267648243 775278141 /nfs/dbraw/zinc/27/81/41/775278141.db2.gz SZOHSWUIJWTQLM-NSHDSACASA-N 1 2 299.371 -1.336 20 0 CAADLO COC[C@H](O)C[NH+]1CC(NC(=O)c2cncn2C)C1 ZINC001267651043 775278588 /nfs/dbraw/zinc/27/85/88/775278588.db2.gz HDWCINNSYYBKQV-SNVBAGLBSA-N 1 2 268.317 -1.159 20 0 CAADLO CCOCC[NH+]1CC(NC(=O)CN2CCOCC2=O)C1 ZINC001267649545 775278932 /nfs/dbraw/zinc/27/89/32/775278932.db2.gz ZKVUKEYHZYLHIP-UHFFFAOYSA-N 1 2 285.344 -1.318 20 0 CAADLO CN1CC[C@H](C(=O)NC2C[NH+](CCOCCO)C2)C1=O ZINC001267655077 775279969 /nfs/dbraw/zinc/27/99/69/775279969.db2.gz MHHSWRVBUMMPSI-LLVKDONJSA-N 1 2 285.344 -1.726 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(NC(=O)C2(C(N)=O)CC2)C1 ZINC001267657544 775280346 /nfs/dbraw/zinc/28/03/46/775280346.db2.gz YLZODVYORVJOSV-VIFPVBQESA-N 1 2 271.317 -1.940 20 0 CAADLO CNC(=O)C1(C(=O)NC2C[NH+](C[C@H](O)COC)C2)CC1 ZINC001267661744 775281207 /nfs/dbraw/zinc/28/12/07/775281207.db2.gz INADNPPVADQCNS-JTQLQIEISA-N 1 2 285.344 -1.680 20 0 CAADLO CCOCCC[NH+]1CC(NC(=O)CS(=O)(=O)NC)C1 ZINC001267669908 775281743 /nfs/dbraw/zinc/28/17/43/775281743.db2.gz MFYBMDMNQKCANX-UHFFFAOYSA-N 1 2 293.389 -1.237 20 0 CAADLO C[C@@H](O)C[NH+]1CC(NC(=O)CCc2cn(C)nn2)C1 ZINC001267672915 775281775 /nfs/dbraw/zinc/28/17/75/775281775.db2.gz PTKHDLBRARXLBP-SECBINFHSA-N 1 2 267.333 -1.071 20 0 CAADLO COC[C@H](C)[NH+]1CC(NC(=O)CC[C@H]2NC(=O)NC2=O)C1 ZINC001267668560 775282320 /nfs/dbraw/zinc/28/23/20/775282320.db2.gz OPHUMELQGKGSJE-WCBMZHEXSA-N 1 2 298.343 -1.190 20 0 CAADLO NC(=O)CC(=O)NCC1C[NH+](CC(=O)NCC2CCC2)C1 ZINC001267679138 775283671 /nfs/dbraw/zinc/28/36/71/775283671.db2.gz NQXXSBJHZOFMAO-UHFFFAOYSA-N 1 2 296.371 -1.174 20 0 CAADLO CNC(=O)C[NH+]1CC(CNC(=O)CC(C)(C)O)C1 ZINC001267680701 775283780 /nfs/dbraw/zinc/28/37/80/775283780.db2.gz UNODQHKNJDLLFD-UHFFFAOYSA-N 1 2 257.334 -1.059 20 0 CAADLO CO[C@@H](C)C(=O)NCC1C[NH+]([C@@H]2CCNC2=O)C1 ZINC001267673822 775283922 /nfs/dbraw/zinc/28/39/22/775283922.db2.gz HOAAFHGZYWYIIS-WCBMZHEXSA-N 1 2 255.318 -1.042 20 0 CAADLO C[C@H](C(=O)NCC1C[NH+](CC(N)=O)C1)N1C(=O)CCC1=O ZINC001267682642 775284436 /nfs/dbraw/zinc/28/44/36/775284436.db2.gz LOSDPYNAPSBSEO-MRVPVSSYSA-N 1 2 296.327 -1.943 20 0 CAADLO NC(=O)C[NH+]1CC(CNC(=O)COCC(F)F)C1 ZINC001267687174 775285785 /nfs/dbraw/zinc/28/57/85/775285785.db2.gz XWMOJDUGQWZFMK-UHFFFAOYSA-N 1 2 265.260 -1.199 20 0 CAADLO C[C@@H]1CCCN(C(=O)C[NH+]2CC(CNC(=O)C(N)=O)C2)C1 ZINC001267691606 775285896 /nfs/dbraw/zinc/28/58/96/775285896.db2.gz RRXYRZGKDDRRRP-SNVBAGLBSA-N 1 2 296.371 -1.222 20 0 CAADLO COc1ncc(C[NH+]2CC(CNC(=O)C(N)=O)C2)c(C)n1 ZINC001267691785 775285913 /nfs/dbraw/zinc/28/59/13/775285913.db2.gz UWTCLBATXRQQPA-UHFFFAOYSA-N 1 2 293.327 -1.173 20 0 CAADLO CC(C)CNC(=O)C[NH+]1CC(CNC(=O)C(N)=O)C1 ZINC001267691941 775286020 /nfs/dbraw/zinc/28/60/20/775286020.db2.gz XHDGMSQEZFWDPJ-UHFFFAOYSA-N 1 2 270.333 -1.708 20 0 CAADLO COc1cncc(C[NH+]2CC(CNC(=O)C(N)=O)C2)n1 ZINC001267690536 775286110 /nfs/dbraw/zinc/28/61/10/775286110.db2.gz DEUBZODZRKSNAE-UHFFFAOYSA-N 1 2 279.300 -1.482 20 0 CAADLO CCC[C@H](C)NC(=O)C[NH+]1CC(CNC(=O)C(N)=O)C1 ZINC001267690425 775286143 /nfs/dbraw/zinc/28/61/43/775286143.db2.gz AHOFRMRZHBXERQ-VIFPVBQESA-N 1 2 284.360 -1.176 20 0 CAADLO NC(=O)C(=O)NCC1C[NH+](CC(=O)NC[C@@H]2CCOC2)C1 ZINC001267691925 775286288 /nfs/dbraw/zinc/28/62/88/775286288.db2.gz WWNFSMOQZOERGK-VIFPVBQESA-N 1 2 298.343 -2.328 20 0 CAADLO COC[C@H](O)C[NH+]1CC(CNC(=O)c2nc[nH]n2)C1 ZINC001267695529 775287149 /nfs/dbraw/zinc/28/71/49/775287149.db2.gz YZSPHCOWYBEOJF-SECBINFHSA-N 1 2 269.305 -1.526 20 0 CAADLO NC(=O)C[NH+]1CC(CNC(=O)CN2C(=O)CCC2=O)C1 ZINC001267699378 775287204 /nfs/dbraw/zinc/28/72/04/775287204.db2.gz ZLISMNBVYFSHJW-UHFFFAOYSA-N 1 2 282.300 -2.331 20 0 CAADLO CCNC(=O)CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC(=O)N(C)C ZINC001267705363 775287599 /nfs/dbraw/zinc/28/75/99/775287599.db2.gz XLIAIICTWCDVGB-QWRGUYRKSA-N 1 2 296.371 -1.114 20 0 CAADLO CCNC(=O)CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC(=O)N(C)C ZINC001267705363 775287601 /nfs/dbraw/zinc/28/76/01/775287601.db2.gz XLIAIICTWCDVGB-QWRGUYRKSA-N 1 2 296.371 -1.114 20 0 CAADLO CCNC(=O)CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@@H](C)C(N)=O ZINC001267704972 775287935 /nfs/dbraw/zinc/28/79/35/775287935.db2.gz JSCAKRDLXNXTRT-GUBZILKMSA-N 1 2 282.344 -1.329 20 0 CAADLO CCNC(=O)CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2[C@@H](C)C(N)=O ZINC001267704972 775287940 /nfs/dbraw/zinc/28/79/40/775287940.db2.gz JSCAKRDLXNXTRT-GUBZILKMSA-N 1 2 282.344 -1.329 20 0 CAADLO C[C@@H](C(N)=O)[NH+]1CC(CNC(=O)C(=O)NCC2CC2)C1 ZINC001267695502 775288128 /nfs/dbraw/zinc/28/81/28/775288128.db2.gz YHIMDVKJLHMNMX-QMMMGPOBSA-N 1 2 282.344 -1.566 20 0 CAADLO O=C(NCC1CC1)C(=O)N[C@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001267732789 775291908 /nfs/dbraw/zinc/29/19/08/775291908.db2.gz OHHBONWMRHRVLL-WDEREUQCSA-N 1 2 294.355 -1.408 20 0 CAADLO O=C(NCC1CC1)C(=O)N[C@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001267732789 775291915 /nfs/dbraw/zinc/29/19/15/775291915.db2.gz OHHBONWMRHRVLL-WDEREUQCSA-N 1 2 294.355 -1.408 20 0 CAADLO CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCN(C)C2=O)C1 ZINC001267728738 775292015 /nfs/dbraw/zinc/29/20/15/775292015.db2.gz HWYQLZUAWQSEST-QWRGUYRKSA-N 1 2 296.371 -1.209 20 0 CAADLO CCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCN(C)C2=O)C1 ZINC001267728738 775292018 /nfs/dbraw/zinc/29/20/18/775292018.db2.gz HWYQLZUAWQSEST-QWRGUYRKSA-N 1 2 296.371 -1.209 20 0 CAADLO CCOCCOCC(=O)N[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001267734986 775292130 /nfs/dbraw/zinc/29/21/30/775292130.db2.gz HPLPNUNNQTWGMR-JTQLQIEISA-N 1 2 273.333 -1.285 20 0 CAADLO CCOCCOCC(=O)N[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001267734986 775292138 /nfs/dbraw/zinc/29/21/38/775292138.db2.gz HPLPNUNNQTWGMR-JTQLQIEISA-N 1 2 273.333 -1.285 20 0 CAADLO COC[C@H](OC)C(=O)N[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001267729640 775292468 /nfs/dbraw/zinc/29/24/68/775292468.db2.gz AHGJCBQLLZQKHI-IUCAKERBSA-N 1 2 259.306 -1.676 20 0 CAADLO COC[C@H](OC)C(=O)N[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001267729640 775292472 /nfs/dbraw/zinc/29/24/72/775292472.db2.gz AHGJCBQLLZQKHI-IUCAKERBSA-N 1 2 259.306 -1.676 20 0 CAADLO Cn1[nH]c(C[NH2+]CCNC(=O)C[C@@](C)(O)C2CC2)nc1=O ZINC001125866682 775293501 /nfs/dbraw/zinc/29/35/01/775293501.db2.gz XQVJDOBSQHEPAO-CYBMUJFWSA-N 1 2 297.359 -1.135 20 0 CAADLO C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)NCc1nn[nH]n1 ZINC001220073438 775293756 /nfs/dbraw/zinc/29/37/56/775293756.db2.gz GGUQDHXXKNIORA-WHFBIAKZSA-N 1 2 257.254 -3.360 20 0 CAADLO N=C(NC(=O)[C@@H]([NH3+])Cc1nn[nH]n1)c1nccs1 ZINC001220154775 775294024 /nfs/dbraw/zinc/29/40/24/775294024.db2.gz YRKMKBACXPHPME-BYPYZUCNSA-N 1 2 266.290 -1.332 20 0 CAADLO CC[C@]1(C(=O)N[C@@H]2CC[N@H+](CC(N)=O)C2)CCNC1=O ZINC001267744391 775295714 /nfs/dbraw/zinc/29/57/14/775295714.db2.gz RHSQMSRKKSKJPK-RNCFNFMXSA-N 1 2 282.344 -1.422 20 0 CAADLO CC[C@]1(C(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C2)CCNC1=O ZINC001267744391 775295724 /nfs/dbraw/zinc/29/57/24/775295724.db2.gz RHSQMSRKKSKJPK-RNCFNFMXSA-N 1 2 282.344 -1.422 20 0 CAADLO CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCN(C)C2=O)C1 ZINC001267747051 775296266 /nfs/dbraw/zinc/29/62/66/775296266.db2.gz HWYQLZUAWQSEST-MNOVXSKESA-N 1 2 296.371 -1.209 20 0 CAADLO CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCN(C)C2=O)C1 ZINC001267747051 775296273 /nfs/dbraw/zinc/29/62/73/775296273.db2.gz HWYQLZUAWQSEST-MNOVXSKESA-N 1 2 296.371 -1.209 20 0 CAADLO C[C@@H](C(=O)NC(C)(C)C)[N@@H+]1CC[C@@H](NC(=O)C(N)=O)C1 ZINC001267748288 775298870 /nfs/dbraw/zinc/29/88/70/775298870.db2.gz UBWIDSPFNFUSPF-DTWKUNHWSA-N 1 2 284.360 -1.035 20 0 CAADLO C[C@@H](C(=O)NC(C)(C)C)[N@H+]1CC[C@@H](NC(=O)C(N)=O)C1 ZINC001267748288 775298875 /nfs/dbraw/zinc/29/88/75/775298875.db2.gz UBWIDSPFNFUSPF-DTWKUNHWSA-N 1 2 284.360 -1.035 20 0 CAADLO CCCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](N(C)C(=O)C(N)=O)C1 ZINC001267769025 775300680 /nfs/dbraw/zinc/30/06/80/775300680.db2.gz AAKXEAXVFHEOPR-VHSXEESVSA-N 1 2 284.360 -1.081 20 0 CAADLO CCCNC(=O)[C@H](C)[N@H+]1CC[C@@H](N(C)C(=O)C(N)=O)C1 ZINC001267769025 775300692 /nfs/dbraw/zinc/30/06/92/775300692.db2.gz AAKXEAXVFHEOPR-VHSXEESVSA-N 1 2 284.360 -1.081 20 0 CAADLO Cc1noc(C[NH2+]CCNC(=O)CN2CCOCC2)n1 ZINC001125890960 775301550 /nfs/dbraw/zinc/30/15/50/775301550.db2.gz MPDQRHBGKZIXHG-UHFFFAOYSA-N 1 2 283.332 -1.084 20 0 CAADLO CCC(=O)N[C@@H]1C[N@H+](CC(=O)NC2CC2)C[C@@H]1O ZINC001083294663 775301911 /nfs/dbraw/zinc/30/19/11/775301911.db2.gz MXAQHQOVHOQHTO-ZJUUUORDSA-N 1 2 255.318 -1.164 20 0 CAADLO CCC(=O)N[C@@H]1C[N@@H+](CC(=O)NC2CC2)C[C@@H]1O ZINC001083294663 775301922 /nfs/dbraw/zinc/30/19/22/775301922.db2.gz MXAQHQOVHOQHTO-ZJUUUORDSA-N 1 2 255.318 -1.164 20 0 CAADLO CC(=O)N[C@@H]1C[N@H+](C[C@H]2CCS(=O)(=O)C2)C[C@@H]1O ZINC001083296479 775306072 /nfs/dbraw/zinc/30/60/72/775306072.db2.gz ROKQAMVNTWNPMP-MXWKQRLJSA-N 1 2 276.358 -1.398 20 0 CAADLO CC(=O)N[C@@H]1C[N@@H+](C[C@H]2CCS(=O)(=O)C2)C[C@@H]1O ZINC001083296479 775306082 /nfs/dbraw/zinc/30/60/82/775306082.db2.gz ROKQAMVNTWNPMP-MXWKQRLJSA-N 1 2 276.358 -1.398 20 0 CAADLO CCCCn1nnnc1C[NH2+][C@H](CC)CNC(=O)C(N)=O ZINC001267817476 775306169 /nfs/dbraw/zinc/30/61/69/775306169.db2.gz LTAVZDYUIRRQCX-SECBINFHSA-N 1 2 297.363 -1.057 20 0 CAADLO CCN1CC[C@H]([N@H+]2C[C@@H](NC(C)=O)[C@@H](O)C2)C1=O ZINC001083296350 775306321 /nfs/dbraw/zinc/30/63/21/775306321.db2.gz LNEXOYQYXGKSPB-VWYCJHECSA-N 1 2 255.318 -1.212 20 0 CAADLO CCN1CC[C@H]([N@@H+]2C[C@@H](NC(C)=O)[C@@H](O)C2)C1=O ZINC001083296350 775306333 /nfs/dbraw/zinc/30/63/33/775306333.db2.gz LNEXOYQYXGKSPB-VWYCJHECSA-N 1 2 255.318 -1.212 20 0 CAADLO CC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)NC2CC2)C[C@@H]1O ZINC001083296871 775308151 /nfs/dbraw/zinc/30/81/51/775308151.db2.gz KRSXIHNKEDVNOD-XROYCOCOSA-N 1 2 255.318 -1.165 20 0 CAADLO CC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC2CC2)C[C@@H]1O ZINC001083296871 775308165 /nfs/dbraw/zinc/30/81/65/775308165.db2.gz KRSXIHNKEDVNOD-XROYCOCOSA-N 1 2 255.318 -1.165 20 0 CAADLO CC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)NC2CC2)C[C@@H]1O ZINC001083296870 775309048 /nfs/dbraw/zinc/30/90/48/775309048.db2.gz KRSXIHNKEDVNOD-ONOSFVFSSA-N 1 2 255.318 -1.165 20 0 CAADLO CC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)NC2CC2)C[C@@H]1O ZINC001083296870 775309063 /nfs/dbraw/zinc/30/90/63/775309063.db2.gz KRSXIHNKEDVNOD-ONOSFVFSSA-N 1 2 255.318 -1.165 20 0 CAADLO CCC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCN(C)C2=O)C[C@@H]1O ZINC001083297246 775310664 /nfs/dbraw/zinc/31/06/64/775310664.db2.gz AKFQOUUNNBETMM-BBBLOLIVSA-N 1 2 255.318 -1.212 20 0 CAADLO CCC(=O)N[C@@H]1C[N@H+]([C@@H]2CCN(C)C2=O)C[C@@H]1O ZINC001083297246 775310672 /nfs/dbraw/zinc/31/06/72/775310672.db2.gz AKFQOUUNNBETMM-BBBLOLIVSA-N 1 2 255.318 -1.212 20 0 CAADLO CN(C)C(=O)C[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CCCNC1=O ZINC001038369375 775311128 /nfs/dbraw/zinc/31/11/28/775311128.db2.gz ZACPZNXMNUDZSI-WDEREUQCSA-N 1 2 296.371 -1.209 20 0 CAADLO CN(C)C(=O)C[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CCCNC1=O ZINC001038369375 775311139 /nfs/dbraw/zinc/31/11/39/775311139.db2.gz ZACPZNXMNUDZSI-WDEREUQCSA-N 1 2 296.371 -1.209 20 0 CAADLO CCC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCO[C@H](C)C2)C[C@@H]1O ZINC001083297730 775311551 /nfs/dbraw/zinc/31/15/51/775311551.db2.gz XHGRAXNOWPBWNI-UTUOFQBUSA-N 1 2 299.371 -1.195 20 0 CAADLO CCC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCO[C@H](C)C2)C[C@@H]1O ZINC001083297730 775311561 /nfs/dbraw/zinc/31/15/61/775311561.db2.gz XHGRAXNOWPBWNI-UTUOFQBUSA-N 1 2 299.371 -1.195 20 0 CAADLO CC(=O)N1CC(n2cc(C[NH2+]CC(N)=O)nn2)C1 ZINC001105133041 775312956 /nfs/dbraw/zinc/31/29/56/775312956.db2.gz MBXRNLSAAFDRRC-UHFFFAOYSA-N 1 2 252.278 -1.744 20 0 CAADLO CNC(=O)[C@H](C)[NH2+]Cc1cn(C2CN(C(C)=O)C2)nn1 ZINC001105128902 775313299 /nfs/dbraw/zinc/31/32/99/775313299.db2.gz NZOKMDCDCUWFTA-QMMMGPOBSA-N 1 2 280.332 -1.095 20 0 CAADLO CCC(=O)N1CC(n2cc(C[NH2+]CC(N)=O)nn2)C1 ZINC001105124345 775313351 /nfs/dbraw/zinc/31/33/51/775313351.db2.gz YZCVWBPHAGRFAQ-UHFFFAOYSA-N 1 2 266.305 -1.354 20 0 CAADLO COCC(=O)N1CC(n2cc(C[NH2+]CC(N)=O)nn2)C1 ZINC001105121109 775313411 /nfs/dbraw/zinc/31/34/11/775313411.db2.gz RRSKOEFHTSAHEP-UHFFFAOYSA-N 1 2 282.304 -2.117 20 0 CAADLO COCCC(=O)N1CC(n2cc(C[NH2+]CC(N)=O)nn2)C1 ZINC001105128240 775313449 /nfs/dbraw/zinc/31/34/49/775313449.db2.gz WFSPZBZQCPCQPS-UHFFFAOYSA-N 1 2 296.331 -1.727 20 0 CAADLO CNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)CC(N)=O)C1 ZINC001267919762 775314997 /nfs/dbraw/zinc/31/49/97/775314997.db2.gz UNBABUATUDEHLK-MRVPVSSYSA-N 1 2 256.306 -1.812 20 0 CAADLO CNC(=O)C[N@H+]1CCC[C@@H](NC(=O)CC(N)=O)C1 ZINC001267919762 775315007 /nfs/dbraw/zinc/31/50/07/775315007.db2.gz UNBABUATUDEHLK-MRVPVSSYSA-N 1 2 256.306 -1.812 20 0 CAADLO CNC(=O)CC(=O)N1CC(n2cc(C[NH2+]CCF)nn2)C1 ZINC001105221382 775315131 /nfs/dbraw/zinc/31/51/31/775315131.db2.gz KNPJBMAMGJUCHQ-UHFFFAOYSA-N 1 2 298.322 -1.143 20 0 CAADLO O=C(N[C@@H]1C[N@H+]([C@H]2CCCNC2=O)C[C@@H]1O)C1CC1 ZINC001083300658 775316961 /nfs/dbraw/zinc/31/69/61/775316961.db2.gz AKSKJKUBQARLIX-VWYCJHECSA-N 1 2 267.329 -1.164 20 0 CAADLO O=C(N[C@@H]1C[N@@H+]([C@H]2CCCNC2=O)C[C@@H]1O)C1CC1 ZINC001083300658 775316979 /nfs/dbraw/zinc/31/69/79/775316979.db2.gz AKSKJKUBQARLIX-VWYCJHECSA-N 1 2 267.329 -1.164 20 0 CAADLO CNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)C2CC2)[C@@H](O)C1 ZINC001083301015 775317721 /nfs/dbraw/zinc/31/77/21/775317721.db2.gz QVEBIZXZWOMZON-SFGNSQDASA-N 1 2 255.318 -1.308 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)C2CC2)[C@@H](O)C1 ZINC001083301015 775317728 /nfs/dbraw/zinc/31/77/28/775317728.db2.gz QVEBIZXZWOMZON-SFGNSQDASA-N 1 2 255.318 -1.308 20 0 CAADLO O=C(N[C@@H]1C[N@H+]([C@@H]2CCC(=O)NC2=O)C[C@@H]1O)C1CC1 ZINC001083300926 775318574 /nfs/dbraw/zinc/31/85/74/775318574.db2.gz MKLLPIKAEMXFPH-BBBLOLIVSA-N 1 2 281.312 -1.637 20 0 CAADLO O=C(N[C@@H]1C[N@@H+]([C@@H]2CCC(=O)NC2=O)C[C@@H]1O)C1CC1 ZINC001083300926 775318586 /nfs/dbraw/zinc/31/85/86/775318586.db2.gz MKLLPIKAEMXFPH-BBBLOLIVSA-N 1 2 281.312 -1.637 20 0 CAADLO NC(=O)C(=O)N1CC(n2cc(C[NH2+]C/C=C\Cl)nn2)C1 ZINC001105315270 775319364 /nfs/dbraw/zinc/31/93/64/775319364.db2.gz DOFSLQRJUCPUQY-UPHRSURJSA-N 1 2 298.734 -1.011 20 0 CAADLO [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@H]([NH3+])C2(COC2)C1 ZINC001161499791 775319776 /nfs/dbraw/zinc/31/97/76/775319776.db2.gz IIHGDHSTJNASPE-ZJUUUORDSA-N 1 2 265.317 -1.534 20 0 CAADLO NC(=O)C[NH2+]Cc1cn(C2CN(C(=O)C(N)=O)C2)nn1 ZINC001105315222 775320274 /nfs/dbraw/zinc/32/02/74/775320274.db2.gz CDDZSDZVMBYYMU-UHFFFAOYSA-N 1 2 281.276 -3.278 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)C2CCC2)[C@@H](O)C1 ZINC001083301807 775320687 /nfs/dbraw/zinc/32/06/87/775320687.db2.gz BIWXADMOSOTTAT-SFGNSQDASA-N 1 2 255.318 -1.178 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)C2CCC2)[C@@H](O)C1 ZINC001083301807 775320696 /nfs/dbraw/zinc/32/06/96/775320696.db2.gz BIWXADMOSOTTAT-SFGNSQDASA-N 1 2 255.318 -1.178 20 0 CAADLO CC[C@@H](F)C(=O)N1CC(n2cc(C[NH2+]CC(N)=O)nn2)C1 ZINC001105299130 775320833 /nfs/dbraw/zinc/32/08/33/775320833.db2.gz FOODWTDIMLFYOW-SNVBAGLBSA-N 1 2 298.322 -1.016 20 0 CAADLO NC(=O)C(=O)N1CC(n2cc(C[NH2+]CCF)nn2)C1 ZINC001105315491 775321297 /nfs/dbraw/zinc/32/12/97/775321297.db2.gz PXMVNRBNKPDJDS-UHFFFAOYSA-N 1 2 270.268 -1.794 20 0 CAADLO C[C@@H]([NH2+]Cc1cn(C2CN(C(=O)C(N)=O)C2)nn1)C(N)=O ZINC001105315241 775321556 /nfs/dbraw/zinc/32/15/56/775321556.db2.gz CVADKMSLHJUFMZ-ZCFIWIBFSA-N 1 2 295.303 -2.890 20 0 CAADLO CN(C)C(=O)C[N@H+]1C[C@@H](NC(=O)C2CCOCC2)[C@@H](O)C1 ZINC001083303542 775324152 /nfs/dbraw/zinc/32/41/52/775324152.db2.gz FRACCFCEOHVYLO-NEPJUHHUSA-N 1 2 299.371 -1.338 20 0 CAADLO CN(C)C(=O)C[N@@H+]1C[C@@H](NC(=O)C2CCOCC2)[C@@H](O)C1 ZINC001083303542 775324163 /nfs/dbraw/zinc/32/41/63/775324163.db2.gz FRACCFCEOHVYLO-NEPJUHHUSA-N 1 2 299.371 -1.338 20 0 CAADLO O=C(N[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@@H]1O)C1CCOCC1 ZINC001083303721 775325085 /nfs/dbraw/zinc/32/50/85/775325085.db2.gz NXASFDBLVSWCDE-UTUOFQBUSA-N 1 2 297.355 -1.537 20 0 CAADLO O=C(N[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@@H]1O)C1CCOCC1 ZINC001083303721 775325094 /nfs/dbraw/zinc/32/50/94/775325094.db2.gz NXASFDBLVSWCDE-UTUOFQBUSA-N 1 2 297.355 -1.537 20 0 CAADLO CC[C@@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)C2CCOCC2)[C@@H](O)C1 ZINC001083303680 775325527 /nfs/dbraw/zinc/32/55/27/775325527.db2.gz LWIUGDRJFBAONU-WOPDTQHZSA-N 1 2 299.371 -1.162 20 0 CAADLO CC[C@@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)C2CCOCC2)[C@@H](O)C1 ZINC001083303680 775325534 /nfs/dbraw/zinc/32/55/34/775325534.db2.gz LWIUGDRJFBAONU-WOPDTQHZSA-N 1 2 299.371 -1.162 20 0 CAADLO Cc1nnc(CC(=O)N[C@@H]2C[N@H+](CC(N)=O)CC2(C)C)[nH]1 ZINC000974597223 775326065 /nfs/dbraw/zinc/32/60/65/775326065.db2.gz MSVXYQKZWGWLDQ-SECBINFHSA-N 1 2 294.359 -1.032 20 0 CAADLO Cc1nnc(CC(=O)N[C@@H]2C[N@@H+](CC(N)=O)CC2(C)C)[nH]1 ZINC000974597223 775326072 /nfs/dbraw/zinc/32/60/72/775326072.db2.gz MSVXYQKZWGWLDQ-SECBINFHSA-N 1 2 294.359 -1.032 20 0 CAADLO Cc1nonc1C[NH2+]CCNC(=O)[C@H]1COCCN1C ZINC001125956085 775326144 /nfs/dbraw/zinc/32/61/44/775326144.db2.gz GOKKZXSVIPBQRZ-LLVKDONJSA-N 1 2 283.332 -1.086 20 0 CAADLO Cc1nnc(CC(=O)N[C@H]2C[N@H+](CC(N)=O)CC2(C)C)[nH]1 ZINC000974597224 775326338 /nfs/dbraw/zinc/32/63/38/775326338.db2.gz MSVXYQKZWGWLDQ-VIFPVBQESA-N 1 2 294.359 -1.032 20 0 CAADLO Cc1nnc(CC(=O)N[C@H]2C[N@@H+](CC(N)=O)CC2(C)C)[nH]1 ZINC000974597224 775326351 /nfs/dbraw/zinc/32/63/51/775326351.db2.gz MSVXYQKZWGWLDQ-VIFPVBQESA-N 1 2 294.359 -1.032 20 0 CAADLO Cc1nonc1C[NH2+]CCNC(=O)[C@@H]1COCCN1C ZINC001125956087 775327167 /nfs/dbraw/zinc/32/71/67/775327167.db2.gz GOKKZXSVIPBQRZ-NSHDSACASA-N 1 2 283.332 -1.086 20 0 CAADLO Cn1[nH]c(C[NH2+]CCNC(=O)[C@@H]2COCCN2C)nc1=O ZINC001125955970 775329068 /nfs/dbraw/zinc/32/90/68/775329068.db2.gz FCFCCSUKOUTCJC-VIFPVBQESA-N 1 2 298.347 -2.355 20 0 CAADLO COCC(=O)NCC1(O)CN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001041151816 775334120 /nfs/dbraw/zinc/33/41/20/775334120.db2.gz VCKOXDFKVJQLPA-UHFFFAOYSA-N 1 2 296.327 -1.322 20 0 CAADLO COCC(=O)NC[C@@H]1C[N@H+](CCOCCO)CCO1 ZINC001268019507 775334600 /nfs/dbraw/zinc/33/46/00/775334600.db2.gz UKKKKSMFHBGTHO-LLVKDONJSA-N 1 2 276.333 -1.541 20 0 CAADLO COCC(=O)NC[C@@H]1C[N@@H+](CCOCCO)CCO1 ZINC001268019507 775334610 /nfs/dbraw/zinc/33/46/10/775334610.db2.gz UKKKKSMFHBGTHO-LLVKDONJSA-N 1 2 276.333 -1.541 20 0 CAADLO CCNC(=O)CC(=O)NCC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001126002896 775338246 /nfs/dbraw/zinc/33/82/46/775338246.db2.gz ORMKRTHRXBIOTR-UHFFFAOYSA-N 1 2 284.320 -2.160 20 0 CAADLO CNC(=O)CCCC(=O)NCC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001126011349 775339742 /nfs/dbraw/zinc/33/97/42/775339742.db2.gz DQGPCZFRWIBKTK-UHFFFAOYSA-N 1 2 298.347 -1.770 20 0 CAADLO Cc1nnc(C[NH2+]CCNC(=O)CN2CN=NC2=O)o1 ZINC001126021974 775341912 /nfs/dbraw/zinc/34/19/12/775341912.db2.gz XAJPVHPWVORPGT-UHFFFAOYSA-N 1 2 281.276 -1.419 20 0 CAADLO CCc1noc(C[NH2+]CCNC(=O)CN2CN=NC2=O)n1 ZINC001126026969 775342310 /nfs/dbraw/zinc/34/23/10/775342310.db2.gz LGDKTUDVZPIQEA-UHFFFAOYSA-N 1 2 295.303 -1.165 20 0 CAADLO O=C(CN1CN=NC1=O)NCC[NH2+]Cc1cnon1 ZINC001126027040 775342729 /nfs/dbraw/zinc/34/27/29/775342729.db2.gz MVVDSHHGFJFLCF-UHFFFAOYSA-N 1 2 267.249 -1.727 20 0 CAADLO COCC[N@@H+]1CCO[C@@H](CNC(=O)C(C)(C)C(N)=O)C1 ZINC001268025573 775346145 /nfs/dbraw/zinc/34/61/45/775346145.db2.gz QVSCZVKSPGGOED-JTQLQIEISA-N 1 2 287.360 -1.039 20 0 CAADLO COCC[N@H+]1CCO[C@@H](CNC(=O)C(C)(C)C(N)=O)C1 ZINC001268025573 775346151 /nfs/dbraw/zinc/34/61/51/775346151.db2.gz QVSCZVKSPGGOED-JTQLQIEISA-N 1 2 287.360 -1.039 20 0 CAADLO COCC[N@@H+]1CCO[C@H](CNC(=O)C(C)(C)C(N)=O)C1 ZINC001268025576 775346770 /nfs/dbraw/zinc/34/67/70/775346770.db2.gz QVSCZVKSPGGOED-SNVBAGLBSA-N 1 2 287.360 -1.039 20 0 CAADLO COCC[N@H+]1CCO[C@H](CNC(=O)C(C)(C)C(N)=O)C1 ZINC001268025576 775346781 /nfs/dbraw/zinc/34/67/81/775346781.db2.gz QVSCZVKSPGGOED-SNVBAGLBSA-N 1 2 287.360 -1.039 20 0 CAADLO NC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3COCCO3)[C@@H]2C1 ZINC001075568363 775350122 /nfs/dbraw/zinc/35/01/22/775350122.db2.gz YNFAIEPBZPFICK-HBNTYKKESA-N 1 2 283.328 -1.580 20 0 CAADLO NC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3COCCO3)[C@@H]2C1 ZINC001075568363 775350140 /nfs/dbraw/zinc/35/01/40/775350140.db2.gz YNFAIEPBZPFICK-HBNTYKKESA-N 1 2 283.328 -1.580 20 0 CAADLO O=C(CC1CC1)N[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@@H]1O ZINC001083307782 775350882 /nfs/dbraw/zinc/35/08/82/775350882.db2.gz WEWAJNOBHMJIAA-VWYCJHECSA-N 1 2 267.329 -1.164 20 0 CAADLO O=C(CC1CC1)N[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@@H]1O ZINC001083307782 775350887 /nfs/dbraw/zinc/35/08/87/775350887.db2.gz WEWAJNOBHMJIAA-VWYCJHECSA-N 1 2 267.329 -1.164 20 0 CAADLO NC(=O)C[N@@H+]1CCCO[C@@H](CNC(=O)CNC(N)=O)C1 ZINC001149129461 775351995 /nfs/dbraw/zinc/35/19/95/775351995.db2.gz IEZIGQJYAWOAMT-QMMMGPOBSA-N 1 2 287.320 -2.653 20 0 CAADLO NC(=O)C[N@H+]1CCCO[C@@H](CNC(=O)CNC(N)=O)C1 ZINC001149129461 775352005 /nfs/dbraw/zinc/35/20/05/775352005.db2.gz IEZIGQJYAWOAMT-QMMMGPOBSA-N 1 2 287.320 -2.653 20 0 CAADLO CNC(=O)CC(=O)NCC[NH2+]Cc1nnc(C)o1 ZINC001126161981 775353210 /nfs/dbraw/zinc/35/32/10/775353210.db2.gz WGOWUWOZJFMXLS-UHFFFAOYSA-N 1 2 255.278 -1.280 20 0 CAADLO CNC(=O)CC(=O)NCC[NH2+]Cc1ncccn1 ZINC001126161519 775353860 /nfs/dbraw/zinc/35/38/60/775353860.db2.gz OJSSTFYMRUNWNU-UHFFFAOYSA-N 1 2 251.290 -1.182 20 0 CAADLO CCc1noc(C[NH2+]CCNC(=O)CC(=O)NC)n1 ZINC001126175266 775356823 /nfs/dbraw/zinc/35/68/23/775356823.db2.gz OCCYFENJRWYHGB-UHFFFAOYSA-N 1 2 269.305 -1.026 20 0 CAADLO Cn1cc(C(=O)NC[C@@H]2CC[N@@H+]2CCF)c(=O)n(C)c1=O ZINC001038770170 775358282 /nfs/dbraw/zinc/35/82/82/775358282.db2.gz RALOIARXEJHGQS-VIFPVBQESA-N 1 2 298.318 -1.142 20 0 CAADLO Cn1cc(C(=O)NC[C@@H]2CC[N@H+]2CCF)c(=O)n(C)c1=O ZINC001038770170 775358292 /nfs/dbraw/zinc/35/82/92/775358292.db2.gz RALOIARXEJHGQS-VIFPVBQESA-N 1 2 298.318 -1.142 20 0 CAADLO CNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)c2cccnc2)[C@@H](O)C1 ZINC001083310670 775359277 /nfs/dbraw/zinc/35/92/77/775359277.db2.gz GKKASEGYEPFAEL-WCQGTBRESA-N 1 2 292.339 -1.009 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2cccnc2)[C@@H](O)C1 ZINC001083310670 775359286 /nfs/dbraw/zinc/35/92/86/775359286.db2.gz GKKASEGYEPFAEL-WCQGTBRESA-N 1 2 292.339 -1.009 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)c2cccnc2)[C@@H](O)C1 ZINC001083310669 775359572 /nfs/dbraw/zinc/35/95/72/775359572.db2.gz GKKASEGYEPFAEL-JLLWLGSASA-N 1 2 292.339 -1.009 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2cccnc2)[C@@H](O)C1 ZINC001083310669 775359577 /nfs/dbraw/zinc/35/95/77/775359577.db2.gz GKKASEGYEPFAEL-JLLWLGSASA-N 1 2 292.339 -1.009 20 0 CAADLO Cc1cc(C(=O)NCC[NH2+]Cc2nc(=O)n(C)[nH]2)cnn1 ZINC001126250088 775365586 /nfs/dbraw/zinc/36/55/86/775365586.db2.gz DUJNRYSUDZMDJN-UHFFFAOYSA-N 1 2 291.315 -1.274 20 0 CAADLO Cn1[nH]c(C[NH2+]CCNC(=O)CCn2ccnn2)nc1=O ZINC001126270324 775367406 /nfs/dbraw/zinc/36/74/06/775367406.db2.gz HVGOOZSEYQKXGH-UHFFFAOYSA-N 1 2 294.319 -2.004 20 0 CAADLO CN(C)C(=O)CC(=O)NCCC[NH2+]Cc1nnn(C)n1 ZINC001167803072 775367551 /nfs/dbraw/zinc/36/75/51/775367551.db2.gz BHSVAOGHLQFEOK-UHFFFAOYSA-N 1 2 283.336 -1.716 20 0 CAADLO CCCCn1nnnc1C[NH2+]C[C@H](C)N(C)C(=O)C(N)=O ZINC001268081357 775374478 /nfs/dbraw/zinc/37/44/78/775374478.db2.gz SCOHCJUDDDGYOT-VIFPVBQESA-N 1 2 297.363 -1.105 20 0 CAADLO CC(=O)N1CC(C(=O)NCC[NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001126288014 775375139 /nfs/dbraw/zinc/37/51/39/775375139.db2.gz ZCVXNYFKUKZZLA-UHFFFAOYSA-N 1 2 296.331 -2.208 20 0 CAADLO CS(=O)(=O)CC(=O)N1CC[C@H]2C[N@H+](CCO)C[C@H]21 ZINC001075596302 775378379 /nfs/dbraw/zinc/37/83/79/775378379.db2.gz UUCYVYNZORCVTE-VHSXEESVSA-N 1 2 276.358 -1.444 20 0 CAADLO CS(=O)(=O)CC(=O)N1CC[C@H]2C[N@@H+](CCO)C[C@H]21 ZINC001075596302 775378390 /nfs/dbraw/zinc/37/83/90/775378390.db2.gz UUCYVYNZORCVTE-VHSXEESVSA-N 1 2 276.358 -1.444 20 0 CAADLO CN(C)C(=O)C[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CCC(=O)N1 ZINC001038930034 775384032 /nfs/dbraw/zinc/38/40/32/775384032.db2.gz BFPONZOZAHZLEU-UWVGGRQHSA-N 1 2 282.344 -1.456 20 0 CAADLO CN(C)C(=O)C[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CCC(=O)N1 ZINC001038930034 775384043 /nfs/dbraw/zinc/38/40/43/775384043.db2.gz BFPONZOZAHZLEU-UWVGGRQHSA-N 1 2 282.344 -1.456 20 0 CAADLO CC(C)[C@@H](CNC(=O)C(N)=O)[NH2+]Cc1nc(N(C)C)no1 ZINC001268216508 775384318 /nfs/dbraw/zinc/38/43/18/775384318.db2.gz LJAZJNHVCPOMME-MRVPVSSYSA-N 1 2 298.347 -1.149 20 0 CAADLO CNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)C2=COCCO2)[C@@H](O)C1 ZINC001083322291 775384860 /nfs/dbraw/zinc/38/48/60/775384860.db2.gz BEKYEBVJXAXVOX-AEJSXWLSSA-N 1 2 299.327 -1.830 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)C2=COCCO2)[C@@H](O)C1 ZINC001083322291 775384869 /nfs/dbraw/zinc/38/48/69/775384869.db2.gz BEKYEBVJXAXVOX-AEJSXWLSSA-N 1 2 299.327 -1.830 20 0 CAADLO NC(=O)CC(=O)N[C@H]1CCC[N@H+](CC(=O)NCC2CC2)C1 ZINC001268183589 775384984 /nfs/dbraw/zinc/38/49/84/775384984.db2.gz KWCXOEWVZZZUAU-NSHDSACASA-N 1 2 296.371 -1.031 20 0 CAADLO NC(=O)CC(=O)N[C@H]1CCC[N@@H+](CC(=O)NCC2CC2)C1 ZINC001268183589 775384991 /nfs/dbraw/zinc/38/49/91/775384991.db2.gz KWCXOEWVZZZUAU-NSHDSACASA-N 1 2 296.371 -1.031 20 0 CAADLO CCNC(=O)C[N@H+](C)CCN(C)C(=O)CC(N)=O ZINC001268231651 775385984 /nfs/dbraw/zinc/38/59/84/775385984.db2.gz AVMDOPNFVQSBJC-UHFFFAOYSA-N 1 2 258.322 -1.612 20 0 CAADLO CCNC(=O)C[N@@H+](C)CCN(C)C(=O)CC(N)=O ZINC001268231651 775385993 /nfs/dbraw/zinc/38/59/93/775385993.db2.gz AVMDOPNFVQSBJC-UHFFFAOYSA-N 1 2 258.322 -1.612 20 0 CAADLO CNC(=O)C1(C(=O)N[C@H]2CCC[N@H+](CC(N)=O)C2)CCC1 ZINC001268228645 775386454 /nfs/dbraw/zinc/38/64/54/775386454.db2.gz HZEPRYLRARQTKJ-JTQLQIEISA-N 1 2 296.371 -1.031 20 0 CAADLO CNC(=O)C1(C(=O)N[C@H]2CCC[N@@H+](CC(N)=O)C2)CCC1 ZINC001268228645 775386463 /nfs/dbraw/zinc/38/64/63/775386463.db2.gz HZEPRYLRARQTKJ-JTQLQIEISA-N 1 2 296.371 -1.031 20 0 CAADLO O=C(N[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@@H]1O)C1=COCCO1 ZINC001083322722 775386898 /nfs/dbraw/zinc/38/68/98/775386898.db2.gz WBIMLEZKSSCVEO-UTLUCORTSA-N 1 2 297.311 -2.076 20 0 CAADLO O=C(N[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@@H]1O)C1=COCCO1 ZINC001083322722 775386909 /nfs/dbraw/zinc/38/69/09/775386909.db2.gz WBIMLEZKSSCVEO-UTLUCORTSA-N 1 2 297.311 -2.076 20 0 CAADLO CN(CC[N@H+](C)CC(N)=O)C(=O)[C@H]1CCCNC1=O ZINC001268241477 775387108 /nfs/dbraw/zinc/38/71/08/775387108.db2.gz OWXUBWGPLUXXTN-VIFPVBQESA-N 1 2 270.333 -1.612 20 0 CAADLO CN(CC[N@@H+](C)CC(N)=O)C(=O)[C@H]1CCCNC1=O ZINC001268241477 775387121 /nfs/dbraw/zinc/38/71/21/775387121.db2.gz OWXUBWGPLUXXTN-VIFPVBQESA-N 1 2 270.333 -1.612 20 0 CAADLO COC[C@H](O)C[NH+]1CC(NC(=O)c2ccn[nH]2)C1 ZINC001268244961 775387250 /nfs/dbraw/zinc/38/72/50/775387250.db2.gz BCDNUVPAXOWXHX-SECBINFHSA-N 1 2 254.290 -1.169 20 0 CAADLO C[C@H](NC(=O)C(N)=O)[C@H](C)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001282186262 775387334 /nfs/dbraw/zinc/38/73/34/775387334.db2.gz SVCNDMLNXQXPMA-WDSKDSINSA-N 1 2 270.293 -2.424 20 0 CAADLO CN(C)C(=O)C[N@H+]1C[C@@H](NC(=O)C2=COCCO2)[C@@H](O)C1 ZINC001083322513 775387624 /nfs/dbraw/zinc/38/76/24/775387624.db2.gz LZOQRQAPTJCVPU-ZJUUUORDSA-N 1 2 299.327 -1.876 20 0 CAADLO CN(C)C(=O)C[N@@H+]1C[C@@H](NC(=O)C2=COCCO2)[C@@H](O)C1 ZINC001083322513 775387635 /nfs/dbraw/zinc/38/76/35/775387635.db2.gz LZOQRQAPTJCVPU-ZJUUUORDSA-N 1 2 299.327 -1.876 20 0 CAADLO CN(CC[N@H+](C)Cc1ccnn1C)C(=O)C(N)=O ZINC001268247995 775388421 /nfs/dbraw/zinc/38/84/21/775388421.db2.gz YVYACEICCNVAGX-UHFFFAOYSA-N 1 2 253.306 -1.204 20 0 CAADLO CN(CC[N@@H+](C)Cc1ccnn1C)C(=O)C(N)=O ZINC001268247995 775388428 /nfs/dbraw/zinc/38/84/28/775388428.db2.gz YVYACEICCNVAGX-UHFFFAOYSA-N 1 2 253.306 -1.204 20 0 CAADLO COC[C@H](O)C[NH+]1CC(NC(=O)c2cc[n+]([O-])cc2)C1 ZINC001268248572 775388506 /nfs/dbraw/zinc/38/85/06/775388506.db2.gz NBCZDQGRERURDT-GFCCVEGCSA-N 1 2 281.312 -1.259 20 0 CAADLO CN(CC[N@H+](C)CC(=O)NC1CC1)C(=O)C1(C(N)=O)CC1 ZINC001268247135 775388669 /nfs/dbraw/zinc/38/86/69/775388669.db2.gz MMLVDUKKQXGBJN-UHFFFAOYSA-N 1 2 296.371 -1.079 20 0 CAADLO CN(CC[N@@H+](C)CC(=O)NC1CC1)C(=O)C1(C(N)=O)CC1 ZINC001268247135 775388679 /nfs/dbraw/zinc/38/86/79/775388679.db2.gz MMLVDUKKQXGBJN-UHFFFAOYSA-N 1 2 296.371 -1.079 20 0 CAADLO COC[C@H](O)C[NH+]1CC(NC(=O)[C@H]2CCOC2)C1 ZINC001268257245 775388859 /nfs/dbraw/zinc/38/88/59/775388859.db2.gz KUOVIBXJWSRXFM-GXSJLCMTSA-N 1 2 258.318 -1.169 20 0 CAADLO C[C@@H](C(=O)NC1CC1)[N@H+](C)CCN(C)C(=O)C(N)=O ZINC001268247667 775389123 /nfs/dbraw/zinc/38/91/23/775389123.db2.gz UOPJUQDINADZBS-QMMMGPOBSA-N 1 2 270.333 -1.471 20 0 CAADLO C[C@@H](C(=O)NC1CC1)[N@@H+](C)CCN(C)C(=O)C(N)=O ZINC001268247667 775389133 /nfs/dbraw/zinc/38/91/33/775389133.db2.gz UOPJUQDINADZBS-QMMMGPOBSA-N 1 2 270.333 -1.471 20 0 CAADLO CN(CC[N@H+](C)CC(N)=O)C(=O)[C@]1(F)CCOC1 ZINC001268247238 775389833 /nfs/dbraw/zinc/38/98/33/775389833.db2.gz JTKZFUFYPBZQGG-NSHDSACASA-N 1 2 261.297 -1.010 20 0 CAADLO CN(CC[N@@H+](C)CC(N)=O)C(=O)[C@]1(F)CCOC1 ZINC001268247238 775389843 /nfs/dbraw/zinc/38/98/43/775389843.db2.gz JTKZFUFYPBZQGG-NSHDSACASA-N 1 2 261.297 -1.010 20 0 CAADLO CC[C@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)C2=COCCO2)[C@@H](O)C1 ZINC001083323198 775390719 /nfs/dbraw/zinc/39/07/19/775390719.db2.gz SNVWIGLNKOPXBM-BBBLOLIVSA-N 1 2 299.327 -1.700 20 0 CAADLO CC[C@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)C2=COCCO2)[C@@H](O)C1 ZINC001083323198 775390726 /nfs/dbraw/zinc/39/07/26/775390726.db2.gz SNVWIGLNKOPXBM-BBBLOLIVSA-N 1 2 299.327 -1.700 20 0 CAADLO O=C(Cn1ncnn1)NC1C[NH+](CCOCCO)C1 ZINC001268309533 775398351 /nfs/dbraw/zinc/39/83/51/775398351.db2.gz KSJDCQJTQJRBQW-UHFFFAOYSA-N 1 2 270.293 -2.518 20 0 CAADLO CO[C@@H](C)C(=O)NCCN(CCO)C(=O)Cc1c[nH+]c[nH]1 ZINC001058947872 775415254 /nfs/dbraw/zinc/41/52/54/775415254.db2.gz BSHQULNLNVVWOQ-JTQLQIEISA-N 1 2 298.343 -1.076 20 0 CAADLO CO[C@H](C)C(=O)NCCN(CCO)C(=O)Cc1c[nH+]c[nH]1 ZINC001058947873 775415933 /nfs/dbraw/zinc/41/59/33/775415933.db2.gz BSHQULNLNVVWOQ-SNVBAGLBSA-N 1 2 298.343 -1.076 20 0 CAADLO NC(=O)CC(=O)NCCN(CCO)C(=O)Cc1c[nH+]c[nH]1 ZINC001058947844 775416369 /nfs/dbraw/zinc/41/63/69/775416369.db2.gz AZXWCMMWUQFGEE-UHFFFAOYSA-N 1 2 297.315 -2.235 20 0 CAADLO NC(=O)C(=O)NCCN(CCO)C(=O)Cc1c[nH+]c[nH]1 ZINC001058948909 775416489 /nfs/dbraw/zinc/41/64/89/775416489.db2.gz FMYIHHAKSOAQJB-UHFFFAOYSA-N 1 2 283.288 -2.625 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(NC(=O)c2cccnn2)C1 ZINC001268462159 775417550 /nfs/dbraw/zinc/41/75/50/775417550.db2.gz ASDMUGFGMBOXJM-JTQLQIEISA-N 1 2 266.301 -1.102 20 0 CAADLO CO[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1NC(C)=O ZINC001211738938 775417754 /nfs/dbraw/zinc/41/77/54/775417754.db2.gz YZZBDWAVTQIENY-HTQZYQBOSA-N 1 2 258.278 -1.983 20 0 CAADLO CO[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1NC(C)=O ZINC001211738938 775417759 /nfs/dbraw/zinc/41/77/59/775417759.db2.gz YZZBDWAVTQIENY-HTQZYQBOSA-N 1 2 258.278 -1.983 20 0 CAADLO CO[C@@H]1C[N@H+](CC(=O)NC[C@H]2CCOC2)C[C@H]1NC(C)=O ZINC001211738677 775418118 /nfs/dbraw/zinc/41/81/18/775418118.db2.gz NOLRJXZFVCKEQS-JHJVBQTASA-N 1 2 299.371 -1.026 20 0 CAADLO CO[C@@H]1C[N@@H+](CC(=O)NC[C@H]2CCOC2)C[C@H]1NC(C)=O ZINC001211738677 775418127 /nfs/dbraw/zinc/41/81/27/775418127.db2.gz NOLRJXZFVCKEQS-JHJVBQTASA-N 1 2 299.371 -1.026 20 0 CAADLO CNC(=O)C[N@@H+]1C[C@@H](NC(=O)CCOC)[C@H](OC)C1 ZINC001211744319 775418244 /nfs/dbraw/zinc/41/82/44/775418244.db2.gz YUVSVGGJGAJILH-NXEZZACHSA-N 1 2 273.333 -1.416 20 0 CAADLO CNC(=O)C[N@H+]1C[C@@H](NC(=O)CCOC)[C@H](OC)C1 ZINC001211744319 775418253 /nfs/dbraw/zinc/41/82/53/775418253.db2.gz YUVSVGGJGAJILH-NXEZZACHSA-N 1 2 273.333 -1.416 20 0 CAADLO CNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(C)=O)[C@H](OC)C1 ZINC001211738615 775418540 /nfs/dbraw/zinc/41/85/40/775418540.db2.gz LHWXWPGSLAAHPP-FXBDTBDDSA-N 1 2 286.332 -1.334 20 0 CAADLO CNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@@H](NC(C)=O)[C@H](OC)C1 ZINC001211738615 775418547 /nfs/dbraw/zinc/41/85/47/775418547.db2.gz LHWXWPGSLAAHPP-FXBDTBDDSA-N 1 2 286.332 -1.334 20 0 CAADLO CCC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)NC(N)=O)C[C@H]1OC ZINC001211743221 775418623 /nfs/dbraw/zinc/41/86/23/775418623.db2.gz ADHZQPXQLRMCLW-IWSPIJDZSA-N 1 2 286.332 -1.205 20 0 CAADLO CCC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)NC(N)=O)C[C@H]1OC ZINC001211743221 775418628 /nfs/dbraw/zinc/41/86/28/775418628.db2.gz ADHZQPXQLRMCLW-IWSPIJDZSA-N 1 2 286.332 -1.205 20 0 CAADLO Cn1c[nH+]cc1CCC(=O)NC1CN(CC(N)=O)C1 ZINC001268478386 775419931 /nfs/dbraw/zinc/41/99/31/775419931.db2.gz GRJZCZXFLRKAAM-UHFFFAOYSA-N 1 2 265.317 -1.362 20 0 CAADLO CCN(CC[NH2+]Cc1nonc1C)C(=O)C(N)=O ZINC001268476014 775420004 /nfs/dbraw/zinc/42/00/04/775420004.db2.gz NTBGFHIKXLWGDE-UHFFFAOYSA-N 1 2 255.278 -1.199 20 0 CAADLO C[N@@H+]1CCN(C(=O)[C@@H]2CCCN(C(N)=O)C2)C[C@@H]1CO ZINC000687595616 775420203 /nfs/dbraw/zinc/42/02/03/775420203.db2.gz FIRNORPMLBOLGR-GHMZBOCLSA-N 1 2 284.360 -1.088 20 0 CAADLO C[N@H+]1CCN(C(=O)[C@@H]2CCCN(C(N)=O)C2)C[C@@H]1CO ZINC000687595616 775420208 /nfs/dbraw/zinc/42/02/08/775420208.db2.gz FIRNORPMLBOLGR-GHMZBOCLSA-N 1 2 284.360 -1.088 20 0 CAADLO COCC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1OC ZINC001211749752 775420245 /nfs/dbraw/zinc/42/02/45/775420245.db2.gz AHAMQSNIOFKDQG-OPRDCNLKSA-N 1 2 299.327 -1.747 20 0 CAADLO COCC(=O)N[C@@H]1C[N@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1OC ZINC001211749752 775420250 /nfs/dbraw/zinc/42/02/50/775420250.db2.gz AHAMQSNIOFKDQG-OPRDCNLKSA-N 1 2 299.327 -1.747 20 0 CAADLO COCC(=O)N[C@@H]1C[N@H+](CC(=O)NC2CC2)C[C@H]1OC ZINC001211747821 775420707 /nfs/dbraw/zinc/42/07/07/775420707.db2.gz ACPKCMGQSNLTLT-GHMZBOCLSA-N 1 2 285.344 -1.273 20 0 CAADLO COCC(=O)N[C@@H]1C[N@@H+](CC(=O)NC2CC2)C[C@H]1OC ZINC001211747821 775420714 /nfs/dbraw/zinc/42/07/14/775420714.db2.gz ACPKCMGQSNLTLT-GHMZBOCLSA-N 1 2 285.344 -1.273 20 0 CAADLO COC[C@H](O)C[NH+]1CC(NC(=O)CN2C(=O)CCC2=O)C1 ZINC001268481673 775421572 /nfs/dbraw/zinc/42/15/72/775421572.db2.gz GLTSGGONGKZVHO-SNVBAGLBSA-N 1 2 299.327 -2.057 20 0 CAADLO Cn1ncc(C(=O)N2CC[N@H+](C)[C@H](CO)C2)c1N ZINC000687612023 775421640 /nfs/dbraw/zinc/42/16/40/775421640.db2.gz BTXBVZKNFNKHHR-QMMMGPOBSA-N 1 2 253.306 -1.249 20 0 CAADLO Cn1ncc(C(=O)N2CC[N@@H+](C)[C@H](CO)C2)c1N ZINC000687612023 775421647 /nfs/dbraw/zinc/42/16/47/775421647.db2.gz BTXBVZKNFNKHHR-QMMMGPOBSA-N 1 2 253.306 -1.249 20 0 CAADLO COCC(=O)N[C@@H]1C[N@@H+]([C@H]2CCN(C)C2=O)C[C@H]1OC ZINC001211751587 775422098 /nfs/dbraw/zinc/42/20/98/775422098.db2.gz BAHYTNXIPHPPSO-OUAUKWLOSA-N 1 2 285.344 -1.321 20 0 CAADLO COCC(=O)N[C@@H]1C[N@H+]([C@H]2CCN(C)C2=O)C[C@H]1OC ZINC001211751587 775422102 /nfs/dbraw/zinc/42/21/02/775422102.db2.gz BAHYTNXIPHPPSO-OUAUKWLOSA-N 1 2 285.344 -1.321 20 0 CAADLO Cn1ncc(C(=O)N2CC[N@H+](C)[C@@H](CO)C2)c1N ZINC000687612021 775422424 /nfs/dbraw/zinc/42/24/24/775422424.db2.gz BTXBVZKNFNKHHR-MRVPVSSYSA-N 1 2 253.306 -1.249 20 0 CAADLO Cn1ncc(C(=O)N2CC[N@@H+](C)[C@@H](CO)C2)c1N ZINC000687612021 775422432 /nfs/dbraw/zinc/42/24/32/775422432.db2.gz BTXBVZKNFNKHHR-MRVPVSSYSA-N 1 2 253.306 -1.249 20 0 CAADLO C[C@@H](O)C[NH+]1CC(NC(=O)CCCN2C(=O)CNC2=O)C1 ZINC001268481925 775422757 /nfs/dbraw/zinc/42/27/57/775422757.db2.gz LDDBXWAOJDCNQZ-SECBINFHSA-N 1 2 298.343 -1.500 20 0 CAADLO COCC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)N(C)C)C[C@H]1OC ZINC001211752100 775422873 /nfs/dbraw/zinc/42/28/73/775422873.db2.gz LLWBYHRCRDQWEY-GMTAPVOTSA-N 1 2 287.360 -1.075 20 0 CAADLO COCC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)N(C)C)C[C@H]1OC ZINC001211752100 775422880 /nfs/dbraw/zinc/42/28/80/775422880.db2.gz LLWBYHRCRDQWEY-GMTAPVOTSA-N 1 2 287.360 -1.075 20 0 CAADLO O=C(CC[C@H]1NC(=O)NC1=O)NC1C[NH+](CCCO)C1 ZINC001268481700 775422965 /nfs/dbraw/zinc/42/29/65/775422965.db2.gz HEUBVTRLPKFFLW-SECBINFHSA-N 1 2 284.316 -1.843 20 0 CAADLO CO[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@H]1NC(=O)CNC(C)=O ZINC001211776885 775423568 /nfs/dbraw/zinc/42/35/68/775423568.db2.gz USUPSFPJZHYKEF-OUAUKWLOSA-N 1 2 298.343 -2.174 20 0 CAADLO CO[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@H]1NC(=O)CNC(C)=O ZINC001211776885 775423572 /nfs/dbraw/zinc/42/35/72/775423572.db2.gz USUPSFPJZHYKEF-OUAUKWLOSA-N 1 2 298.343 -2.174 20 0 CAADLO CO[C@@H]1C[N@@H+]([C@@H](C)C(N)=O)C[C@H]1NC(=O)CNC(C)=O ZINC001211776753 775423910 /nfs/dbraw/zinc/42/39/10/775423910.db2.gz QFWAPGJTXYEEBQ-FXBDTBDDSA-N 1 2 286.332 -2.188 20 0 CAADLO CO[C@@H]1C[N@H+]([C@@H](C)C(N)=O)C[C@H]1NC(=O)CNC(C)=O ZINC001211776753 775423919 /nfs/dbraw/zinc/42/39/19/775423919.db2.gz QFWAPGJTXYEEBQ-FXBDTBDDSA-N 1 2 286.332 -2.188 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)Cn2cnnn2)[C@@H](O)C1 ZINC001083329146 775424619 /nfs/dbraw/zinc/42/46/19/775424619.db2.gz WEHRBXIIJKRPQA-RNJXMRFFSA-N 1 2 283.292 -3.292 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)Cn2cnnn2)[C@@H](O)C1 ZINC001083329146 775424622 /nfs/dbraw/zinc/42/46/22/775424622.db2.gz WEHRBXIIJKRPQA-RNJXMRFFSA-N 1 2 283.292 -3.292 20 0 CAADLO Cn1[nH]c(C[NH2+]CC=CCNC(=O)c2ccn[nH]2)nc1=O ZINC001268513818 775425834 /nfs/dbraw/zinc/42/58/34/775425834.db2.gz KNNDIYXGMUKVBE-IHWYPQMZSA-N 1 2 291.315 -1.093 20 0 CAADLO O=C(Cn1cnnn1)NC/C=C/C[NH2+]Cc1csnn1 ZINC001268511359 775426021 /nfs/dbraw/zinc/42/60/21/775426021.db2.gz QRWZKKWDKGECAH-OWOJBTEDSA-N 1 2 294.344 -1.013 20 0 CAADLO CCOCC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@H]1OC ZINC001211802003 775426160 /nfs/dbraw/zinc/42/61/60/775426160.db2.gz FSTCXQQMVVCXRV-GMTAPVOTSA-N 1 2 285.344 -1.273 20 0 CAADLO CCOCC(=O)N[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@H]1OC ZINC001211802003 775426161 /nfs/dbraw/zinc/42/61/61/775426161.db2.gz FSTCXQQMVVCXRV-GMTAPVOTSA-N 1 2 285.344 -1.273 20 0 CAADLO CNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)Cn2cnnn2)[C@@H](O)C1 ZINC001083329404 775427628 /nfs/dbraw/zinc/42/76/28/775427628.db2.gz HKSHPKKGZVMWNE-YIZRAAEISA-N 1 2 297.319 -3.031 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)Cn2cnnn2)[C@@H](O)C1 ZINC001083329404 775427632 /nfs/dbraw/zinc/42/76/32/775427632.db2.gz HKSHPKKGZVMWNE-YIZRAAEISA-N 1 2 297.319 -3.031 20 0 CAADLO NC(=O)C[NH+]1CC(CNC(=O)CNC(=O)C2CC2)C1 ZINC001268547328 775429337 /nfs/dbraw/zinc/42/93/37/775429337.db2.gz PUPLZYPZTVNACS-UHFFFAOYSA-N 1 2 268.317 -1.954 20 0 CAADLO O=C(Cn1cnnn1)N[C@@H]1C[N@@H+](C/C=C/Cl)C[C@@H]1O ZINC001083329902 775431273 /nfs/dbraw/zinc/43/12/73/775431273.db2.gz YXSAKAKRKJDTAC-NFXAZMQOSA-N 1 2 286.723 -1.413 20 0 CAADLO O=C(Cn1cnnn1)N[C@@H]1C[N@H+](C/C=C/Cl)C[C@@H]1O ZINC001083329902 775431283 /nfs/dbraw/zinc/43/12/83/775431283.db2.gz YXSAKAKRKJDTAC-NFXAZMQOSA-N 1 2 286.723 -1.413 20 0 CAADLO C[C@@H](CC(N)=O)C(=O)NC/C=C\C[NH2+]Cc1nnnn1C ZINC001268572319 775435106 /nfs/dbraw/zinc/43/51/06/775435106.db2.gz KVBZORGZQOVKSC-TYRPZCRBSA-N 1 2 295.347 -1.516 20 0 CAADLO C[C@H](CC(N)=O)C(=O)NC/C=C\C[NH2+]Cc1nnnn1C ZINC001268572320 775435242 /nfs/dbraw/zinc/43/52/42/775435242.db2.gz KVBZORGZQOVKSC-ZBJFTSOASA-N 1 2 295.347 -1.516 20 0 CAADLO Cc1nnc(C[NH2+]CC=CCNC(=O)[C@H]2CNC(=O)N2)o1 ZINC001268584094 775436575 /nfs/dbraw/zinc/43/65/75/775436575.db2.gz IMZZSXGMPZIHPC-PKRMOACSSA-N 1 2 294.315 -1.179 20 0 CAADLO C[N@@H+]1CCc2ncnc(NC(CO)(CO)CO)c2C1 ZINC001167928570 775437437 /nfs/dbraw/zinc/43/74/37/775437437.db2.gz NCAGNMURYRKCOB-UHFFFAOYSA-N 1 2 268.317 -1.408 20 0 CAADLO C[N@H+]1CCc2ncnc(NC(CO)(CO)CO)c2C1 ZINC001167928570 775437444 /nfs/dbraw/zinc/43/74/44/775437444.db2.gz NCAGNMURYRKCOB-UHFFFAOYSA-N 1 2 268.317 -1.408 20 0 CAADLO O=C(NCC=CC[NH2+]Cc1ncccn1)[C@H]1CNC(=O)N1 ZINC001268587178 775438530 /nfs/dbraw/zinc/43/85/30/775438530.db2.gz TVOVLISOYGATQI-JWXWKVPASA-N 1 2 290.327 -1.080 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)CN2CCCC2=O)[C@@H](O)C1 ZINC001083331435 775440000 /nfs/dbraw/zinc/44/00/00/775440000.db2.gz IKLWBEXMZQQDHV-AEJSXWLSSA-N 1 2 298.343 -2.356 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)CN2CCCC2=O)[C@@H](O)C1 ZINC001083331435 775440005 /nfs/dbraw/zinc/44/00/05/775440005.db2.gz IKLWBEXMZQQDHV-AEJSXWLSSA-N 1 2 298.343 -2.356 20 0 CAADLO OCC(CO)(CO)Nc1c[nH+]c2c(c1)CCCN2 ZINC001167931563 775440086 /nfs/dbraw/zinc/44/00/86/775440086.db2.gz PSQFHLKNCHHLBW-UHFFFAOYSA-N 1 2 253.302 -1.145 20 0 CAADLO CC[C@@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)c2cnn(C)c2)[C@@H](O)C1 ZINC001083334012 775440424 /nfs/dbraw/zinc/44/04/24/775440424.db2.gz WYXONJRMXCXPFX-VWYCJHECSA-N 1 2 295.343 -1.541 20 0 CAADLO CC[C@@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)c2cnn(C)c2)[C@@H](O)C1 ZINC001083334012 775440432 /nfs/dbraw/zinc/44/04/32/775440432.db2.gz WYXONJRMXCXPFX-VWYCJHECSA-N 1 2 295.343 -1.541 20 0 CAADLO O=C(CN1CCCC1=O)N[C@@H]1C[N@@H+](CCF)C[C@@H]1O ZINC001083331551 775440503 /nfs/dbraw/zinc/44/05/03/775440503.db2.gz MXVOXRWOMWUOLJ-ZJUUUORDSA-N 1 2 273.308 -1.260 20 0 CAADLO O=C(CN1CCCC1=O)N[C@@H]1C[N@H+](CCF)C[C@@H]1O ZINC001083331551 775440509 /nfs/dbraw/zinc/44/05/09/775440509.db2.gz MXVOXRWOMWUOLJ-ZJUUUORDSA-N 1 2 273.308 -1.260 20 0 CAADLO CNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)c2cnn(C)c2)[C@@H](O)C1 ZINC001083333624 775440991 /nfs/dbraw/zinc/44/09/91/775440991.db2.gz DNJOSBXBCFCFNT-GDPRMGEGSA-N 1 2 295.343 -1.671 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2cnn(C)c2)[C@@H](O)C1 ZINC001083333624 775440996 /nfs/dbraw/zinc/44/09/96/775440996.db2.gz DNJOSBXBCFCFNT-GDPRMGEGSA-N 1 2 295.343 -1.671 20 0 CAADLO CN(C)C(=O)C[N@H+]1C[C@@H](NC(=O)c2ccc[nH]2)[C@@H](O)C1 ZINC001083336932 775442145 /nfs/dbraw/zinc/44/21/45/775442145.db2.gz TZFFFKFNCQSVJM-MNOVXSKESA-N 1 2 280.328 -1.122 20 0 CAADLO CN(C)C(=O)C[N@@H+]1C[C@@H](NC(=O)c2ccc[nH]2)[C@@H](O)C1 ZINC001083336932 775442150 /nfs/dbraw/zinc/44/21/50/775442150.db2.gz TZFFFKFNCQSVJM-MNOVXSKESA-N 1 2 280.328 -1.122 20 0 CAADLO CC(C)C(=O)N[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@@H]1O ZINC001083344808 775442167 /nfs/dbraw/zinc/44/21/67/775442167.db2.gz HMAPIOCEGQJLBU-UTLUCORTSA-N 1 2 255.318 -1.308 20 0 CAADLO CC(C)C(=O)N[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@@H]1O ZINC001083344808 775442176 /nfs/dbraw/zinc/44/21/76/775442176.db2.gz HMAPIOCEGQJLBU-UTLUCORTSA-N 1 2 255.318 -1.308 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)Cn2cccn2)[C@@H](O)C1 ZINC001083340490 775442442 /nfs/dbraw/zinc/44/24/42/775442442.db2.gz IIUNPLKQKQFURX-AEJSXWLSSA-N 1 2 281.316 -2.082 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)Cn2cccn2)[C@@H](O)C1 ZINC001083340490 775442445 /nfs/dbraw/zinc/44/24/45/775442445.db2.gz IIUNPLKQKQFURX-AEJSXWLSSA-N 1 2 281.316 -2.082 20 0 CAADLO CC(C)C(=O)N[C@@H]1C[N@H+](CC(=O)N2CCOCC2)C[C@@H]1O ZINC001083345915 775442574 /nfs/dbraw/zinc/44/25/74/775442574.db2.gz IEFOHGIVYDVRDJ-NEPJUHHUSA-N 1 2 299.371 -1.338 20 0 CAADLO CC(C)C(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCOCC2)C[C@@H]1O ZINC001083345915 775442577 /nfs/dbraw/zinc/44/25/77/775442577.db2.gz IEFOHGIVYDVRDJ-NEPJUHHUSA-N 1 2 299.371 -1.338 20 0 CAADLO CNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)c2ccc[nH]2)[C@@H](O)C1 ZINC001083337384 775442607 /nfs/dbraw/zinc/44/26/07/775442607.db2.gz PPQIIRSWBYIFGT-GDPRMGEGSA-N 1 2 280.328 -1.076 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2ccc[nH]2)[C@@H](O)C1 ZINC001083337384 775442613 /nfs/dbraw/zinc/44/26/13/775442613.db2.gz PPQIIRSWBYIFGT-GDPRMGEGSA-N 1 2 280.328 -1.076 20 0 CAADLO NC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)CCc3nnc[nH]3)[C@@H]2C1 ZINC001075661873 775442865 /nfs/dbraw/zinc/44/28/65/775442865.db2.gz HOEXVYNCILWTDK-VHSXEESVSA-N 1 2 292.343 -1.245 20 0 CAADLO NC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)CCc3nnc[nH]3)[C@@H]2C1 ZINC001075661873 775442872 /nfs/dbraw/zinc/44/28/72/775442872.db2.gz HOEXVYNCILWTDK-VHSXEESVSA-N 1 2 292.343 -1.245 20 0 CAADLO CC[C@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)Cn2cccn2)[C@@H](O)C1 ZINC001083340532 775442985 /nfs/dbraw/zinc/44/29/85/775442985.db2.gz KCCWECSYKSTPSJ-MXWKQRLJSA-N 1 2 295.343 -1.692 20 0 CAADLO CC[C@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)Cn2cccn2)[C@@H](O)C1 ZINC001083340532 775442993 /nfs/dbraw/zinc/44/29/93/775442993.db2.gz KCCWECSYKSTPSJ-MXWKQRLJSA-N 1 2 295.343 -1.692 20 0 CAADLO CC(C)C(=O)N[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@@H]1O ZINC001083344807 775443076 /nfs/dbraw/zinc/44/30/76/775443076.db2.gz HMAPIOCEGQJLBU-BBBLOLIVSA-N 1 2 255.318 -1.308 20 0 CAADLO CC(C)C(=O)N[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@@H]1O ZINC001083344807 775443083 /nfs/dbraw/zinc/44/30/83/775443083.db2.gz HMAPIOCEGQJLBU-BBBLOLIVSA-N 1 2 255.318 -1.308 20 0 CAADLO CN(C)C(=O)C[N@H+]1C[C@@H](NC(=O)c2cccn2C)[C@@H](O)C1 ZINC001083344559 775443142 /nfs/dbraw/zinc/44/31/42/775443142.db2.gz WLXJRPBVYUJYMH-PWSUYJOCSA-N 1 2 294.355 -1.112 20 0 CAADLO CN(C)C(=O)C[N@@H+]1C[C@@H](NC(=O)c2cccn2C)[C@@H](O)C1 ZINC001083344559 775443151 /nfs/dbraw/zinc/44/31/51/775443151.db2.gz WLXJRPBVYUJYMH-PWSUYJOCSA-N 1 2 294.355 -1.112 20 0 CAADLO CN1CC[C@@H]([N@H+]2C[C@@H](NC(=O)c3cn[nH]c3)[C@@H](O)C2)C1=O ZINC001083351094 775443991 /nfs/dbraw/zinc/44/39/91/775443991.db2.gz QKJBOIQURABERV-MXWKQRLJSA-N 1 2 293.327 -1.585 20 0 CAADLO CN1CC[C@@H]([N@@H+]2C[C@@H](NC(=O)c3cn[nH]c3)[C@@H](O)C2)C1=O ZINC001083351094 775443996 /nfs/dbraw/zinc/44/39/96/775443996.db2.gz QKJBOIQURABERV-MXWKQRLJSA-N 1 2 293.327 -1.585 20 0 CAADLO CN1CC[C@@H]([N@H+]2C[C@@H](NC(=O)c3ccn[nH]3)[C@@H](O)C2)C1=O ZINC001083348947 775444464 /nfs/dbraw/zinc/44/44/64/775444464.db2.gz FUDAOYSJOXKITN-MXWKQRLJSA-N 1 2 293.327 -1.585 20 0 CAADLO CN1CC[C@@H]([N@@H+]2C[C@@H](NC(=O)c3ccn[nH]3)[C@@H](O)C2)C1=O ZINC001083348947 775444470 /nfs/dbraw/zinc/44/44/70/775444470.db2.gz FUDAOYSJOXKITN-MXWKQRLJSA-N 1 2 293.327 -1.585 20 0 CAADLO C[C@H](C(=O)N(C)C)[N@H+]1C[C@@H](NC(=O)c2ccn[nH]2)[C@@H](O)C1 ZINC001083349070 775444509 /nfs/dbraw/zinc/44/45/09/775444509.db2.gz LAUYILAEEDQASJ-IEBDPFPHSA-N 1 2 295.343 -1.339 20 0 CAADLO C[C@H](C(=O)N(C)C)[N@@H+]1C[C@@H](NC(=O)c2ccn[nH]2)[C@@H](O)C1 ZINC001083349070 775444518 /nfs/dbraw/zinc/44/45/18/775444518.db2.gz LAUYILAEEDQASJ-IEBDPFPHSA-N 1 2 295.343 -1.339 20 0 CAADLO CN(C)C(=O)C[N@H+]1C[C@@H](NC(=O)C[C@H]2CCCO2)[C@@H](O)C1 ZINC001083351978 775445112 /nfs/dbraw/zinc/44/51/12/775445112.db2.gz UTTDKINDQLOKSO-UTUOFQBUSA-N 1 2 299.371 -1.195 20 0 CAADLO CN(C)C(=O)C[N@@H+]1C[C@@H](NC(=O)C[C@H]2CCCO2)[C@@H](O)C1 ZINC001083351978 775445116 /nfs/dbraw/zinc/44/51/16/775445116.db2.gz UTTDKINDQLOKSO-UTUOFQBUSA-N 1 2 299.371 -1.195 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)c2ccn[nH]2)[C@@H](O)C1 ZINC001083349003 775445501 /nfs/dbraw/zinc/44/55/01/775445501.db2.gz IAHOTZACNRGUEC-QNSHHTMESA-N 1 2 281.316 -1.681 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2ccn[nH]2)[C@@H](O)C1 ZINC001083349003 775445506 /nfs/dbraw/zinc/44/55/06/775445506.db2.gz IAHOTZACNRGUEC-QNSHHTMESA-N 1 2 281.316 -1.681 20 0 CAADLO CNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)c2ccn[nH]2)[C@@H](O)C1 ZINC001083349004 775445566 /nfs/dbraw/zinc/44/55/66/775445566.db2.gz IAHOTZACNRGUEC-SFGNSQDASA-N 1 2 281.316 -1.681 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2ccn[nH]2)[C@@H](O)C1 ZINC001083349004 775445568 /nfs/dbraw/zinc/44/55/68/775445568.db2.gz IAHOTZACNRGUEC-SFGNSQDASA-N 1 2 281.316 -1.681 20 0 CAADLO O=C(N[C@@H]1C[N@H+]([C@@H]2CCCNC2=O)C[C@@H]1O)c1cn[nH]c1 ZINC001083353564 775446878 /nfs/dbraw/zinc/44/68/78/775446878.db2.gz LGAFBKKWOLEMBS-MXWKQRLJSA-N 1 2 293.327 -1.537 20 0 CAADLO O=C(N[C@@H]1C[N@@H+]([C@@H]2CCCNC2=O)C[C@@H]1O)c1cn[nH]c1 ZINC001083353564 775446883 /nfs/dbraw/zinc/44/68/83/775446883.db2.gz LGAFBKKWOLEMBS-MXWKQRLJSA-N 1 2 293.327 -1.537 20 0 CAADLO O=C(N[C@@H]1C[N@H+]([C@@H]2CCCNC2=O)C[C@@H]1O)c1ccon1 ZINC001083356331 775447138 /nfs/dbraw/zinc/44/71/38/775447138.db2.gz OJABTFVMCSOZAU-MXWKQRLJSA-N 1 2 294.311 -1.272 20 0 CAADLO O=C(N[C@@H]1C[N@@H+]([C@@H]2CCCNC2=O)C[C@@H]1O)c1ccon1 ZINC001083356331 775447142 /nfs/dbraw/zinc/44/71/42/775447142.db2.gz OJABTFVMCSOZAU-MXWKQRLJSA-N 1 2 294.311 -1.272 20 0 CAADLO O=C(C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCOC2)[C@@H](O)C1)N1CCC1 ZINC001083360317 775448394 /nfs/dbraw/zinc/44/83/94/775448394.db2.gz ABYVEHJSZZKVGM-UTUOFQBUSA-N 1 2 297.355 -1.584 20 0 CAADLO O=C(C[N@H+]1C[C@@H](NC(=O)[C@@H]2CCOC2)[C@@H](O)C1)N1CCC1 ZINC001083360317 775448404 /nfs/dbraw/zinc/44/84/04/775448404.db2.gz ABYVEHJSZZKVGM-UTUOFQBUSA-N 1 2 297.355 -1.584 20 0 CAADLO O=C(C[N@@H+]1C[C@@H](NC(=O)[C@H]2CCOC2)[C@@H](O)C1)N1CCC1 ZINC001083360316 775448648 /nfs/dbraw/zinc/44/86/48/775448648.db2.gz ABYVEHJSZZKVGM-TUAOUCFPSA-N 1 2 297.355 -1.584 20 0 CAADLO O=C(C[N@H+]1C[C@@H](NC(=O)[C@H]2CCOC2)[C@@H](O)C1)N1CCC1 ZINC001083360316 775448655 /nfs/dbraw/zinc/44/86/55/775448655.db2.gz ABYVEHJSZZKVGM-TUAOUCFPSA-N 1 2 297.355 -1.584 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)C2=COCCC2)[C@@H](O)C1 ZINC001083366277 775450419 /nfs/dbraw/zinc/45/04/19/775450419.db2.gz ATFFQDADPKVZNP-JLLWLGSASA-N 1 2 297.355 -1.024 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)C2=COCCC2)[C@@H](O)C1 ZINC001083366277 775450425 /nfs/dbraw/zinc/45/04/25/775450425.db2.gz ATFFQDADPKVZNP-JLLWLGSASA-N 1 2 297.355 -1.024 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)Cc2cnn(C)c2)[C@@H](O)C1 ZINC001083364657 775450918 /nfs/dbraw/zinc/45/09/18/775450918.db2.gz ZFOICADDWBTEMI-GDPRMGEGSA-N 1 2 295.343 -2.002 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)Cc2cnn(C)c2)[C@@H](O)C1 ZINC001083364657 775450922 /nfs/dbraw/zinc/45/09/22/775450922.db2.gz ZFOICADDWBTEMI-GDPRMGEGSA-N 1 2 295.343 -2.002 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)c2ccnn2C)[C@@H](O)C1 ZINC001083365265 775451145 /nfs/dbraw/zinc/45/11/45/775451145.db2.gz DYOZWDBLJRGVMP-KKZNHRDASA-N 1 2 295.343 -1.671 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2ccnn2C)[C@@H](O)C1 ZINC001083365265 775451151 /nfs/dbraw/zinc/45/11/51/775451151.db2.gz DYOZWDBLJRGVMP-KKZNHRDASA-N 1 2 295.343 -1.671 20 0 CAADLO O=C(N[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@@H]1O)C1=COCCC1 ZINC001083366879 775451187 /nfs/dbraw/zinc/45/11/87/775451187.db2.gz DFDLVTDYXJGYGM-WOPDTQHZSA-N 1 2 295.339 -1.270 20 0 CAADLO O=C(N[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@@H]1O)C1=COCCC1 ZINC001083366879 775451192 /nfs/dbraw/zinc/45/11/92/775451192.db2.gz DFDLVTDYXJGYGM-WOPDTQHZSA-N 1 2 295.339 -1.270 20 0 CAADLO CN(C)C(=O)C[N@H+]1C[C@@H](NC(=O)Cc2cc[nH]n2)[C@@H](O)C1 ZINC001083381356 775454603 /nfs/dbraw/zinc/45/46/03/775454603.db2.gz FEQSWRCWPBHUQG-MNOVXSKESA-N 1 2 295.343 -1.798 20 0 CAADLO CN(C)C(=O)C[N@@H+]1C[C@@H](NC(=O)Cc2cc[nH]n2)[C@@H](O)C1 ZINC001083381356 775454615 /nfs/dbraw/zinc/45/46/15/775454615.db2.gz FEQSWRCWPBHUQG-MNOVXSKESA-N 1 2 295.343 -1.798 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)C2CC=CC2)[C@@H](O)C1 ZINC001083379784 775455076 /nfs/dbraw/zinc/45/50/76/775455076.db2.gz YWVFQOUPONNLSC-GDPRMGEGSA-N 1 2 267.329 -1.012 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)C2CC=CC2)[C@@H](O)C1 ZINC001083379784 775455084 /nfs/dbraw/zinc/45/50/84/775455084.db2.gz YWVFQOUPONNLSC-GDPRMGEGSA-N 1 2 267.329 -1.012 20 0 CAADLO O=C(Cc1cc[nH]n1)N[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@@H]1O ZINC001083381693 775455494 /nfs/dbraw/zinc/45/54/94/775455494.db2.gz XNJPCTZSMZFBTA-MXWKQRLJSA-N 1 2 293.327 -1.998 20 0 CAADLO O=C(Cc1cc[nH]n1)N[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@@H]1O ZINC001083381693 775455499 /nfs/dbraw/zinc/45/54/99/775455499.db2.gz XNJPCTZSMZFBTA-MXWKQRLJSA-N 1 2 293.327 -1.998 20 0 CAADLO O=C(Cc1cc[nH]n1)N[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@@H]1O ZINC001083381694 775455874 /nfs/dbraw/zinc/45/58/74/775455874.db2.gz XNJPCTZSMZFBTA-VWYCJHECSA-N 1 2 293.327 -1.998 20 0 CAADLO O=C(Cc1cc[nH]n1)N[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@@H]1O ZINC001083381694 775455878 /nfs/dbraw/zinc/45/58/78/775455878.db2.gz XNJPCTZSMZFBTA-VWYCJHECSA-N 1 2 293.327 -1.998 20 0 CAADLO CC[C@@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)Cc2cc[nH]n2)[C@@H](O)C1 ZINC001083380657 775456105 /nfs/dbraw/zinc/45/61/05/775456105.db2.gz DMSSLEUGGJLYHU-VWYCJHECSA-N 1 2 295.343 -1.623 20 0 CAADLO CC[C@@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)Cc2cc[nH]n2)[C@@H](O)C1 ZINC001083380657 775456108 /nfs/dbraw/zinc/45/61/08/775456108.db2.gz DMSSLEUGGJLYHU-VWYCJHECSA-N 1 2 295.343 -1.623 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)c2cccc(=O)[nH]2)[C@@H](O)C1 ZINC001083387316 775458070 /nfs/dbraw/zinc/45/80/70/775458070.db2.gz KZRDBSJRSMQDLS-SFGNSQDASA-N 1 2 294.311 -1.564 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)c2cccc(=O)[nH]2)[C@@H](O)C1 ZINC001083387316 775458076 /nfs/dbraw/zinc/45/80/76/775458076.db2.gz KZRDBSJRSMQDLS-SFGNSQDASA-N 1 2 294.311 -1.564 20 0 CAADLO Cn1ncnc1C[NH2+]CC=CCNC(=O)Cc1nc[nH]n1 ZINC001268614573 775459625 /nfs/dbraw/zinc/45/96/25/775459625.db2.gz POAXZCQAWQQBDI-NSCUHMNNSA-N 1 2 290.331 -1.062 20 0 CAADLO Cn1nnnc1C[NH2+]C/C=C/CNC(=O)[C@@H]1CCC(=O)N1 ZINC001268615972 775460367 /nfs/dbraw/zinc/46/03/67/775460367.db2.gz FCBZWXGNSXVEPX-HPOULIHZSA-N 1 2 293.331 -1.749 20 0 CAADLO CNC(=O)Cc1noc(C[NH2+]C[C@@H](C)NC(C)=O)n1 ZINC001268636050 775461693 /nfs/dbraw/zinc/46/16/93/775461693.db2.gz MEIKFJJZJWNSFS-SSDOTTSWSA-N 1 2 269.305 -1.028 20 0 CAADLO C[C@@H](CNC(=O)CC(N)=O)NC(=O)Cn1cc[nH+]c1 ZINC001284216519 775461775 /nfs/dbraw/zinc/46/17/75/775461775.db2.gz RUWQXLIVCNQBNH-QMMMGPOBSA-N 1 2 267.289 -1.621 20 0 CAADLO C[C@H](C[NH2+]Cc1nc(=O)n(C)[nH]1)NC(=O)C(N)=O ZINC001268660395 775465630 /nfs/dbraw/zinc/46/56/30/775465630.db2.gz NHAJBWHZMCVSAG-RXMQYKEDSA-N 1 2 256.266 -2.812 20 0 CAADLO CNC(=O)Cc1noc(C[NH2+]C[C@H](C)NC(C)=O)n1 ZINC001268677047 775467297 /nfs/dbraw/zinc/46/72/97/775467297.db2.gz MEIKFJJZJWNSFS-ZETCQYMHSA-N 1 2 269.305 -1.028 20 0 CAADLO COc1cccc([C@@H](O)C[NH2+]C(C(N)=O)C(N)=O)c1 ZINC000710086401 775468367 /nfs/dbraw/zinc/46/83/67/775468367.db2.gz VQSBKVAVMDVMQT-VIFPVBQESA-N 1 2 267.285 -1.343 20 0 CAADLO CCNC(=O)CC(=O)N(C)CCC[NH2+]Cc1nnn(C)n1 ZINC001268788588 775475941 /nfs/dbraw/zinc/47/59/41/775475941.db2.gz LFBIKZGLTDWSST-UHFFFAOYSA-N 1 2 297.363 -1.326 20 0 CAADLO C[C@H](C(N)=O)[NH+]1CC(CNC(=O)CCCCNC(N)=O)C1 ZINC001268849721 775476827 /nfs/dbraw/zinc/47/68/27/775476827.db2.gz GRZGJOGQIABBIX-SECBINFHSA-N 1 2 299.375 -1.253 20 0 CAADLO CC[C@]1(C(=O)NCC2C[NH+](CC(=O)NC)C2)CCNC1=O ZINC001268837637 775477285 /nfs/dbraw/zinc/47/72/85/775477285.db2.gz AHIJORSZEPKCMF-AWEZNQCLSA-N 1 2 296.371 -1.303 20 0 CAADLO C[C@@]1(C(=O)NCC2C[NH+](CC(N)=O)C2)CCOC1 ZINC001268891499 775478820 /nfs/dbraw/zinc/47/88/20/775478820.db2.gz CVGJMIYUXQNBGO-GFCCVEGCSA-N 1 2 255.318 -1.054 20 0 CAADLO CCNC(=O)C[NH+]1CC(CNC(=O)[C@H]2CCN(C)C2=O)C1 ZINC001268862809 775478977 /nfs/dbraw/zinc/47/89/77/775478977.db2.gz PBDXHSIJSCQLLE-LLVKDONJSA-N 1 2 296.371 -1.351 20 0 CAADLO CN(CCC[NH2+][C@H]1CCNC1=O)C(=O)Cc1ncn[nH]1 ZINC001268911008 775480140 /nfs/dbraw/zinc/48/01/40/775480140.db2.gz DAOYGDCFJCFJPZ-VIFPVBQESA-N 1 2 280.332 -1.326 20 0 CAADLO C[C@H](C(N)=O)[NH+]1CC(CNC(=O)CN2C(=O)CNC2=O)C1 ZINC001268906733 775480557 /nfs/dbraw/zinc/48/05/57/775480557.db2.gz VKSKBYSVDJYAAT-SSDOTTSWSA-N 1 2 297.315 -2.540 20 0 CAADLO NC(=O)C(=O)N[C@H](C[NH2+]Cc1ncccn1)C1CC1 ZINC001269110438 775490211 /nfs/dbraw/zinc/49/02/11/775490211.db2.gz MCAZQQLJLUDKRH-SECBINFHSA-N 1 2 263.301 -1.054 20 0 CAADLO Cc1nnc(C[NH2+]C[C@@H](NC(=O)C(N)=O)C2CC2)o1 ZINC001269109165 775490549 /nfs/dbraw/zinc/49/05/49/775490549.db2.gz FNYJPLKLZITESV-MRVPVSSYSA-N 1 2 267.289 -1.152 20 0 CAADLO C[N@@H+]1CCO[C@H]2CN(C(=O)CCCS(N)(=O)=O)C[C@@H]21 ZINC001269107698 775490644 /nfs/dbraw/zinc/49/06/44/775490644.db2.gz PSZCHLSVXFWYRP-UWVGGRQHSA-N 1 2 291.373 -1.404 20 0 CAADLO C[N@H+]1CCO[C@H]2CN(C(=O)CCCS(N)(=O)=O)C[C@@H]21 ZINC001269107698 775490648 /nfs/dbraw/zinc/49/06/48/775490648.db2.gz PSZCHLSVXFWYRP-UWVGGRQHSA-N 1 2 291.373 -1.404 20 0 CAADLO Cn1[nH]c(C[NH2+]CCNC(=O)Cc2cncnc2)nc1=O ZINC001126403239 775491981 /nfs/dbraw/zinc/49/19/81/775491981.db2.gz ZIBBUQRIYSDZFD-UHFFFAOYSA-N 1 2 291.315 -1.653 20 0 CAADLO CCCCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CC(N)=O)C1 ZINC001269118290 775492328 /nfs/dbraw/zinc/49/23/28/775492328.db2.gz QEZSERRRUZLAHU-SNVBAGLBSA-N 1 2 284.360 -1.031 20 0 CAADLO CCCCNC(=O)C[N@H+]1CC[C@@H](NC(=O)CC(N)=O)C1 ZINC001269118290 775492332 /nfs/dbraw/zinc/49/23/32/775492332.db2.gz QEZSERRRUZLAHU-SNVBAGLBSA-N 1 2 284.360 -1.031 20 0 CAADLO CN1C(=O)COCC12CN(C(=O)[C@@H](CO)n1cc[nH+]c1)C2 ZINC001269160445 775493253 /nfs/dbraw/zinc/49/32/53/775493253.db2.gz FPKDGJDTQNLAFX-SNVBAGLBSA-N 1 2 294.311 -1.514 20 0 CAADLO CCN(C(=O)C[N@@H+]1CC[C@@H](NC(=O)C(N)=O)C1)C1CC1 ZINC001269159643 775493547 /nfs/dbraw/zinc/49/35/47/775493547.db2.gz PJAXBFDJPHSPES-SECBINFHSA-N 1 2 282.344 -1.327 20 0 CAADLO CCN(C(=O)C[N@H+]1CC[C@@H](NC(=O)C(N)=O)C1)C1CC1 ZINC001269159643 775493554 /nfs/dbraw/zinc/49/35/54/775493554.db2.gz PJAXBFDJPHSPES-SECBINFHSA-N 1 2 282.344 -1.327 20 0 CAADLO COC[C@@H](O)C[N@@H+]1CC[C@@H](NC(=O)c2nc[nH]n2)C1 ZINC001269182442 775493653 /nfs/dbraw/zinc/49/36/53/775493653.db2.gz JHWLDFOOOZMFHG-BDAKNGLRSA-N 1 2 269.305 -1.384 20 0 CAADLO COC[C@@H](O)C[N@H+]1CC[C@@H](NC(=O)c2nc[nH]n2)C1 ZINC001269182442 775493658 /nfs/dbraw/zinc/49/36/58/775493658.db2.gz JHWLDFOOOZMFHG-BDAKNGLRSA-N 1 2 269.305 -1.384 20 0 CAADLO COC[C@H](O)C[N@@H+]1CC[C@@H](NC(=O)c2nc[nH]n2)C1 ZINC001269182444 775493698 /nfs/dbraw/zinc/49/36/98/775493698.db2.gz JHWLDFOOOZMFHG-RKDXNWHRSA-N 1 2 269.305 -1.384 20 0 CAADLO COC[C@H](O)C[N@H+]1CC[C@@H](NC(=O)c2nc[nH]n2)C1 ZINC001269182444 775493706 /nfs/dbraw/zinc/49/37/06/775493706.db2.gz JHWLDFOOOZMFHG-RKDXNWHRSA-N 1 2 269.305 -1.384 20 0 CAADLO CN1CC2(CN(C(=O)[C@H](CO)n3cc[nH+]c3)C2)OCC1=O ZINC001269160382 775493979 /nfs/dbraw/zinc/49/39/79/775493979.db2.gz CTAVDVZYYUPKBP-JTQLQIEISA-N 1 2 294.311 -1.514 20 0 CAADLO CN1C(=O)COCC12CN(C(=O)[C@H](CO)n1cc[nH+]c1)C2 ZINC001269160444 775494048 /nfs/dbraw/zinc/49/40/48/775494048.db2.gz FPKDGJDTQNLAFX-JTQLQIEISA-N 1 2 294.311 -1.514 20 0 CAADLO CC(C)NC(=O)C[N@@H+]1CC[C@@H](NC(=O)C2(C(N)=O)CC2)C1 ZINC001269159495 775494062 /nfs/dbraw/zinc/49/40/62/775494062.db2.gz HPUFFZURFZCLLP-SNVBAGLBSA-N 1 2 296.371 -1.033 20 0 CAADLO CC(C)NC(=O)C[N@H+]1CC[C@@H](NC(=O)C2(C(N)=O)CC2)C1 ZINC001269159495 775494064 /nfs/dbraw/zinc/49/40/64/775494064.db2.gz HPUFFZURFZCLLP-SNVBAGLBSA-N 1 2 296.371 -1.033 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C2(C(=O)NC)CCC2)C1 ZINC001269192546 775494713 /nfs/dbraw/zinc/49/47/13/775494713.db2.gz ZUUISSOKHAJMSY-SNVBAGLBSA-N 1 2 296.371 -1.161 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)C2(C(=O)NC)CCC2)C1 ZINC001269192546 775494718 /nfs/dbraw/zinc/49/47/18/775494718.db2.gz ZUUISSOKHAJMSY-SNVBAGLBSA-N 1 2 296.371 -1.161 20 0 CAADLO NC(=O)CC(=O)NC[C@H]1CC[N@@H+]1[C@H]1CCCNC1=O ZINC001269214053 775496449 /nfs/dbraw/zinc/49/64/49/775496449.db2.gz HVTUYKBNFPXPRX-BDAKNGLRSA-N 1 2 268.317 -1.669 20 0 CAADLO NC(=O)CC(=O)NC[C@H]1CC[N@H+]1[C@H]1CCCNC1=O ZINC001269214053 775496452 /nfs/dbraw/zinc/49/64/52/775496452.db2.gz HVTUYKBNFPXPRX-BDAKNGLRSA-N 1 2 268.317 -1.669 20 0 CAADLO NC(=O)CC(=O)NC[C@H]1CC[N@@H+]1[C@@H]1CCCNC1=O ZINC001269214056 775497098 /nfs/dbraw/zinc/49/70/98/775497098.db2.gz HVTUYKBNFPXPRX-RKDXNWHRSA-N 1 2 268.317 -1.669 20 0 CAADLO NC(=O)CC(=O)NC[C@H]1CC[N@H+]1[C@@H]1CCCNC1=O ZINC001269214056 775497104 /nfs/dbraw/zinc/49/71/04/775497104.db2.gz HVTUYKBNFPXPRX-RKDXNWHRSA-N 1 2 268.317 -1.669 20 0 CAADLO NC(=O)CC(=O)NC[C@@H]1CC[N@@H+]1[C@H]1CCCNC1=O ZINC001269214055 775497196 /nfs/dbraw/zinc/49/71/96/775497196.db2.gz HVTUYKBNFPXPRX-IUCAKERBSA-N 1 2 268.317 -1.669 20 0 CAADLO NC(=O)CC(=O)NC[C@@H]1CC[N@H+]1[C@H]1CCCNC1=O ZINC001269214055 775497199 /nfs/dbraw/zinc/49/71/99/775497199.db2.gz HVTUYKBNFPXPRX-IUCAKERBSA-N 1 2 268.317 -1.669 20 0 CAADLO CCN(CC)C(=O)C[N@@H+]1CC[C@@H]1CNC(=O)CC(N)=O ZINC001269209623 775497351 /nfs/dbraw/zinc/49/73/51/775497351.db2.gz CDKLAHOAJWQRHL-SNVBAGLBSA-N 1 2 284.360 -1.079 20 0 CAADLO CCN(CC)C(=O)C[N@H+]1CC[C@@H]1CNC(=O)CC(N)=O ZINC001269209623 775497356 /nfs/dbraw/zinc/49/73/56/775497356.db2.gz CDKLAHOAJWQRHL-SNVBAGLBSA-N 1 2 284.360 -1.079 20 0 CAADLO CC[C@H](C(N)=O)[N@@H+]1CC[C@@H]1CNC(=O)CC(N)=O ZINC001269216970 775497441 /nfs/dbraw/zinc/49/74/41/775497441.db2.gz YFQXXPKKFLRGIC-HTQZYQBOSA-N 1 2 256.306 -1.684 20 0 CAADLO CC[C@H](C(N)=O)[N@H+]1CC[C@@H]1CNC(=O)CC(N)=O ZINC001269216970 775497445 /nfs/dbraw/zinc/49/74/45/775497445.db2.gz YFQXXPKKFLRGIC-HTQZYQBOSA-N 1 2 256.306 -1.684 20 0 CAADLO Cn1nnc2c(C(=O)N3CC4(CC[N@@H+]4C)C3)ncn2c1=O ZINC001269291661 775501526 /nfs/dbraw/zinc/50/15/26/775501526.db2.gz PEKJESDNCYZXIG-UHFFFAOYSA-N 1 2 289.299 -1.647 20 0 CAADLO Cn1nnc2c(C(=O)N3CC4(CC[N@H+]4C)C3)ncn2c1=O ZINC001269291661 775501536 /nfs/dbraw/zinc/50/15/36/775501536.db2.gz PEKJESDNCYZXIG-UHFFFAOYSA-N 1 2 289.299 -1.647 20 0 CAADLO CN1C(=O)COCC12CN(C(=O)Cn1cc[nH+]c1)C2 ZINC001269299606 775502250 /nfs/dbraw/zinc/50/22/50/775502250.db2.gz MQKUQTAXHBUZDO-UHFFFAOYSA-N 1 2 264.285 -1.047 20 0 CAADLO CCN(C(=O)C(N)=O)[C@H]1CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001269345504 775504203 /nfs/dbraw/zinc/50/42/03/775504203.db2.gz RMVCJWNFSPVPFX-ZETCQYMHSA-N 1 2 285.304 -2.411 20 0 CAADLO CCN(C(=O)C(N)=O)[C@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001269345504 775504210 /nfs/dbraw/zinc/50/42/10/775504210.db2.gz RMVCJWNFSPVPFX-ZETCQYMHSA-N 1 2 285.304 -2.411 20 0 CAADLO Cn1nc(N)cc1C(=O)N1CC[N@H+](C)C[C@H]1CO ZINC000725186044 775504829 /nfs/dbraw/zinc/50/48/29/775504829.db2.gz BWPSFQJILMSQRE-QMMMGPOBSA-N 1 2 253.306 -1.249 20 0 CAADLO Cn1nc(N)cc1C(=O)N1CC[N@@H+](C)C[C@H]1CO ZINC000725186044 775504841 /nfs/dbraw/zinc/50/48/41/775504841.db2.gz BWPSFQJILMSQRE-QMMMGPOBSA-N 1 2 253.306 -1.249 20 0 CAADLO Cn1nc(N)cc1C(=O)N1CC[N@H+](C)C[C@@H]1CO ZINC000725186042 775506006 /nfs/dbraw/zinc/50/60/06/775506006.db2.gz BWPSFQJILMSQRE-MRVPVSSYSA-N 1 2 253.306 -1.249 20 0 CAADLO Cn1nc(N)cc1C(=O)N1CC[N@@H+](C)C[C@@H]1CO ZINC000725186042 775506011 /nfs/dbraw/zinc/50/60/11/775506011.db2.gz BWPSFQJILMSQRE-MRVPVSSYSA-N 1 2 253.306 -1.249 20 0 CAADLO CC[C@H](CNC(=O)C(N)=O)[NH2+]Cc1nonc1C ZINC001269460542 775508381 /nfs/dbraw/zinc/50/83/81/775508381.db2.gz JJZLEBYPNHAYPO-SSDOTTSWSA-N 1 2 255.278 -1.152 20 0 CAADLO CC[C@@H](CNC(=O)C(N)=O)[NH2+]Cc1nonc1C ZINC001269460543 775508577 /nfs/dbraw/zinc/50/85/77/775508577.db2.gz JJZLEBYPNHAYPO-ZETCQYMHSA-N 1 2 255.278 -1.152 20 0 CAADLO Cn1c[nH+]c([C@@H]2CN(C(=O)CNC(N)=O)C[C@H]2C(N)=O)c1 ZINC001269561816 775511623 /nfs/dbraw/zinc/51/16/23/775511623.db2.gz VTCRHDPQIDHJLS-HTQZYQBOSA-N 1 2 294.315 -1.884 20 0 CAADLO CN(C)C(=O)[C@]12C[C@H]1CCN2C(=O)C[NH+](CCO)CCO ZINC001269618984 775515363 /nfs/dbraw/zinc/51/53/63/775515363.db2.gz XSKJJWGUGHYEJV-RISCZKNCSA-N 1 2 299.371 -1.648 20 0 CAADLO CN(C(=O)CC(N)=O)C1C[NH+](CCn2cncn2)C1 ZINC001269768553 775516087 /nfs/dbraw/zinc/51/60/87/775516087.db2.gz JUZBXZDRDJTKGC-UHFFFAOYSA-N 1 2 266.305 -1.704 20 0 CAADLO Cn1ncc(C(=O)N2CC[C@H]3C[N@H+](CC(N)=O)C[C@H]32)c1N ZINC001075717787 775519510 /nfs/dbraw/zinc/51/95/10/775519510.db2.gz LZYPAXIWWBHXFE-WCBMZHEXSA-N 1 2 292.343 -1.366 20 0 CAADLO Cn1ncc(C(=O)N2CC[C@H]3C[N@@H+](CC(N)=O)C[C@H]32)c1N ZINC001075717787 775519514 /nfs/dbraw/zinc/51/95/14/775519514.db2.gz LZYPAXIWWBHXFE-WCBMZHEXSA-N 1 2 292.343 -1.366 20 0 CAADLO Cn1[nH]c(C[NH2+]CCNC(=O)CCc2ncc[nH]2)nc1=O ZINC001126436670 775519520 /nfs/dbraw/zinc/51/95/20/775519520.db2.gz GVCKCTADKSAKCU-UHFFFAOYSA-N 1 2 293.331 -1.330 20 0 CAADLO C[N@@H+]1C[C@@H]2COC[C@H](C1)N2C(=O)Cc1nn[nH]n1 ZINC001270182854 775525414 /nfs/dbraw/zinc/52/54/14/775525414.db2.gz MMSMGLGFULVCCE-OCAPTIKFSA-N 1 2 252.278 -1.716 20 0 CAADLO C[N@H+]1C[C@@H]2COC[C@H](C1)N2C(=O)Cc1nn[nH]n1 ZINC001270182854 775525418 /nfs/dbraw/zinc/52/54/18/775525418.db2.gz MMSMGLGFULVCCE-OCAPTIKFSA-N 1 2 252.278 -1.716 20 0 CAADLO Cn1cnc(C(=O)N2C[C@@H]3C[N@@H+](C)C[C@H](C2)O3)n1 ZINC001270222643 775527022 /nfs/dbraw/zinc/52/70/22/775527022.db2.gz NUWXVASIGYDGJN-DTORHVGOSA-N 1 2 251.290 -1.030 20 0 CAADLO Cn1cnc(C(=O)N2C[C@@H]3C[N@H+](C)C[C@H](C2)O3)n1 ZINC001270222643 775527027 /nfs/dbraw/zinc/52/70/27/775527027.db2.gz NUWXVASIGYDGJN-DTORHVGOSA-N 1 2 251.290 -1.030 20 0 CAADLO Cn1c[nH+]cc1CN1CC2(CN(C(=O)CO)C2)OCC1=O ZINC001270428484 775532012 /nfs/dbraw/zinc/53/20/12/775532012.db2.gz QGACQSKVUFSYSX-UHFFFAOYSA-N 1 2 294.311 -1.648 20 0 CAADLO O=C(CO)N1CC2(C1)CN(CCn1cc[nH+]c1)C(=O)CO2 ZINC001270428044 775532236 /nfs/dbraw/zinc/53/22/36/775532236.db2.gz KMBSBXPSTZGPQB-UHFFFAOYSA-N 1 2 294.311 -1.685 20 0 CAADLO Cc1ccnc(C(=O)NCC[NH2+]Cc2nc(=O)n(C)[nH]2)n1 ZINC001126471266 775537040 /nfs/dbraw/zinc/53/70/40/775537040.db2.gz FMPPCAPXFHAPBL-UHFFFAOYSA-N 1 2 291.315 -1.274 20 0 CAADLO Cn1cc(C(=O)N2CC[C@H]3C[N@H+](CC(N)=O)C[C@H]32)nn1 ZINC001075758670 775537481 /nfs/dbraw/zinc/53/74/81/775537481.db2.gz IMYSFOMKIDTCKG-WCBMZHEXSA-N 1 2 278.316 -1.553 20 0 CAADLO Cn1cc(C(=O)N2CC[C@H]3C[N@@H+](CC(N)=O)C[C@H]32)nn1 ZINC001075758670 775537489 /nfs/dbraw/zinc/53/74/89/775537489.db2.gz IMYSFOMKIDTCKG-WCBMZHEXSA-N 1 2 278.316 -1.553 20 0 CAADLO C[C@]1(NC(=O)C(N)=O)CC[N@H+](CC(=O)NC2CC2)C1 ZINC001270623210 775538583 /nfs/dbraw/zinc/53/85/83/775538583.db2.gz FKQULCBJXOORCR-LBPRGKRZSA-N 1 2 268.317 -1.669 20 0 CAADLO C[C@]1(NC(=O)C(N)=O)CC[N@@H+](CC(=O)NC2CC2)C1 ZINC001270623210 775538593 /nfs/dbraw/zinc/53/85/93/775538593.db2.gz FKQULCBJXOORCR-LBPRGKRZSA-N 1 2 268.317 -1.669 20 0 CAADLO CC(C)[C@@H](O)C(=O)NC[C@H]1C[N@H+](CCO)CCO1 ZINC001270651003 775539511 /nfs/dbraw/zinc/53/95/11/775539511.db2.gz PCQKZHOOIJAFTH-WDEREUQCSA-N 1 2 260.334 -1.187 20 0 CAADLO CC(C)[C@@H](O)C(=O)NC[C@H]1C[N@@H+](CCO)CCO1 ZINC001270651003 775539521 /nfs/dbraw/zinc/53/95/21/775539521.db2.gz PCQKZHOOIJAFTH-WDEREUQCSA-N 1 2 260.334 -1.187 20 0 CAADLO CCNC(=O)CC(=O)NC[C@@H]1C[N@H+](CCOC)CCO1 ZINC001270637224 775540837 /nfs/dbraw/zinc/54/08/37/775540837.db2.gz AFZFTTZESGSZLA-LLVKDONJSA-N 1 2 287.360 -1.024 20 0 CAADLO CCNC(=O)CC(=O)NC[C@@H]1C[N@@H+](CCOC)CCO1 ZINC001270637224 775540839 /nfs/dbraw/zinc/54/08/39/775540839.db2.gz AFZFTTZESGSZLA-LLVKDONJSA-N 1 2 287.360 -1.024 20 0 CAADLO CC(C)[C@@H](O)C(=O)NC[C@@H]1C[N@H+](CCO)CCO1 ZINC001270651002 775540891 /nfs/dbraw/zinc/54/08/91/775540891.db2.gz PCQKZHOOIJAFTH-GHMZBOCLSA-N 1 2 260.334 -1.187 20 0 CAADLO CC(C)[C@@H](O)C(=O)NC[C@@H]1C[N@@H+](CCO)CCO1 ZINC001270651002 775540897 /nfs/dbraw/zinc/54/08/97/775540897.db2.gz PCQKZHOOIJAFTH-GHMZBOCLSA-N 1 2 260.334 -1.187 20 0 CAADLO O=C(NCC(F)F)C(=O)NC[C@@H]1C[N@H+](CCO)CCO1 ZINC001270659709 775542130 /nfs/dbraw/zinc/54/21/30/775542130.db2.gz ZUNJSWBNHQCXRV-MRVPVSSYSA-N 1 2 295.286 -1.823 20 0 CAADLO O=C(NCC(F)F)C(=O)NC[C@@H]1C[N@@H+](CCO)CCO1 ZINC001270659709 775542136 /nfs/dbraw/zinc/54/21/36/775542136.db2.gz ZUNJSWBNHQCXRV-MRVPVSSYSA-N 1 2 295.286 -1.823 20 0 CAADLO CCn1nncc1C(=O)N1CC[C@H]2C[N@H+](CC(N)=O)C[C@H]21 ZINC001075765529 775542318 /nfs/dbraw/zinc/54/23/18/775542318.db2.gz VOWCEZBLQLPOAC-GXSJLCMTSA-N 1 2 292.343 -1.070 20 0 CAADLO CCn1nncc1C(=O)N1CC[C@H]2C[N@@H+](CC(N)=O)C[C@H]21 ZINC001075765529 775542322 /nfs/dbraw/zinc/54/23/22/775542322.db2.gz VOWCEZBLQLPOAC-GXSJLCMTSA-N 1 2 292.343 -1.070 20 0 CAADLO NC(=O)C1=NO[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]12 ZINC001270783191 775545437 /nfs/dbraw/zinc/54/54/37/775545437.db2.gz PRTSRWQVJNHREA-JGVFFNPUSA-N 1 2 263.257 -1.349 20 0 CAADLO NC(=O)C1=NO[C@@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@H]12 ZINC001270805054 775548436 /nfs/dbraw/zinc/54/84/36/775548436.db2.gz NMAPXADIZCDBFD-DTWKUNHWSA-N 1 2 277.284 -1.028 20 0 CAADLO C[C@@H](O)C[NH+]1CC(N(C)C(=O)[C@H]2COCCO2)C1 ZINC001042494701 775553282 /nfs/dbraw/zinc/55/32/82/775553282.db2.gz LCOHTRAUADYRGS-MWLCHTKSSA-N 1 2 258.318 -1.075 20 0 CAADLO C[C@H](O)C[NH+]1CC(N(C)C(=O)[C@@H]2COCCO2)C1 ZINC001042494702 775553628 /nfs/dbraw/zinc/55/36/28/775553628.db2.gz LCOHTRAUADYRGS-ONGXEEELSA-N 1 2 258.318 -1.075 20 0 CAADLO Cn1ncc(C[NH2+]CCCNC(=O)c2cnn[nH]2)n1 ZINC001161690499 775554687 /nfs/dbraw/zinc/55/46/87/775554687.db2.gz BVSYDIBNNMBMED-UHFFFAOYSA-N 1 2 264.293 -1.157 20 0 CAADLO Cn1cc[nH+]c1CCC(=O)NC[C@H](O)CNC(=O)C(N)=O ZINC001285444808 775558422 /nfs/dbraw/zinc/55/84/22/775558422.db2.gz RRJTVEKIWNRCEV-QMMMGPOBSA-N 1 2 297.315 -2.569 20 0 CAADLO C[C@@H](C[NH2+]Cc1nnnn1C1CC1)N(C)C(=O)C(N)=O ZINC001271084242 775566831 /nfs/dbraw/zinc/56/68/31/775566831.db2.gz URVSMESUMFJRLU-ZETCQYMHSA-N 1 2 281.320 -1.570 20 0 CAADLO COCc1noc(C[NH2+]CCNC(=O)c2cnnn2C)n1 ZINC001126541149 775571545 /nfs/dbraw/zinc/57/15/45/775571545.db2.gz PAGONEFZEJRHAW-UHFFFAOYSA-N 1 2 295.303 -1.136 20 0 CAADLO CC[C@@H]1[C@@H](NC(=O)C(N)=O)CC[N@@H+]1Cc1nc(=O)n(C)[nH]1 ZINC001087709056 775573266 /nfs/dbraw/zinc/57/32/66/775573266.db2.gz DATROLMBAFQAKI-JGVFFNPUSA-N 1 2 296.331 -1.937 20 0 CAADLO CC[C@@H]1[C@@H](NC(=O)C(N)=O)CC[N@H+]1Cc1nc(=O)n(C)[nH]1 ZINC001087709056 775573270 /nfs/dbraw/zinc/57/32/70/775573270.db2.gz DATROLMBAFQAKI-JGVFFNPUSA-N 1 2 296.331 -1.937 20 0 CAADLO CC[C@@H]1[C@@H](NC(=O)C(N)=O)CC[N@@H+]1Cc1cnnn1C ZINC001087709417 775573686 /nfs/dbraw/zinc/57/36/86/775573686.db2.gz XAGLJABRFCUQKQ-VHSXEESVSA-N 1 2 280.332 -1.231 20 0 CAADLO CC[C@@H]1[C@@H](NC(=O)C(N)=O)CC[N@H+]1Cc1cnnn1C ZINC001087709417 775573687 /nfs/dbraw/zinc/57/36/87/775573687.db2.gz XAGLJABRFCUQKQ-VHSXEESVSA-N 1 2 280.332 -1.231 20 0 CAADLO CC[C@@H]1[C@@H](NC(=O)C(N)=O)CC[N@@H+]1CCS(C)(=O)=O ZINC001087709370 775573857 /nfs/dbraw/zinc/57/38/57/775573857.db2.gz VAZZGYLLOFQHHG-DTWKUNHWSA-N 1 2 291.373 -1.515 20 0 CAADLO CC[C@@H]1[C@@H](NC(=O)C(N)=O)CC[N@H+]1CCS(C)(=O)=O ZINC001087709370 775573864 /nfs/dbraw/zinc/57/38/64/775573864.db2.gz VAZZGYLLOFQHHG-DTWKUNHWSA-N 1 2 291.373 -1.515 20 0 CAADLO NC(=O)C[NH2+]Cc1cn([C@H]2CCN(C(=O)C(N)=O)C2)nn1 ZINC001098705441 775574592 /nfs/dbraw/zinc/57/45/92/775574592.db2.gz FIMZLJKNGPETNI-QMMMGPOBSA-N 1 2 295.303 -2.888 20 0 CAADLO CCc1nnc(C[NH2+]CCNC(=O)[C@@H]2COC(=O)N2)o1 ZINC001126548244 775575453 /nfs/dbraw/zinc/57/54/53/775575453.db2.gz HHIJFNPHTWVBCF-ZETCQYMHSA-N 1 2 283.288 -1.054 20 0 CAADLO O=C(NCC[NH2+]Cc1csnn1)[C@@H]1COC(=O)N1 ZINC001126547835 775575578 /nfs/dbraw/zinc/57/55/78/775575578.db2.gz BFZHVLQHQVFFNH-ZETCQYMHSA-N 1 2 271.302 -1.148 20 0 CAADLO CC[C@@H]1[C@@H](NC(=O)c2cnn(C)n2)CC[N@@H+]1CC(N)=O ZINC001087761161 775576034 /nfs/dbraw/zinc/57/60/34/775576034.db2.gz CVWNGMJDQLUYJR-WCBMZHEXSA-N 1 2 280.332 -1.117 20 0 CAADLO CC[C@@H]1[C@@H](NC(=O)c2cnn(C)n2)CC[N@H+]1CC(N)=O ZINC001087761161 775576037 /nfs/dbraw/zinc/57/60/37/775576037.db2.gz CVWNGMJDQLUYJR-WCBMZHEXSA-N 1 2 280.332 -1.117 20 0 CAADLO CN(C)c1noc(C[NH2+]CCNC(=O)[C@@H]2COC(=O)N2)n1 ZINC001126548918 775577353 /nfs/dbraw/zinc/57/73/53/775577353.db2.gz VQZVOSZSELLVCT-ZETCQYMHSA-N 1 2 298.303 -1.550 20 0 CAADLO Cc1noc(C[NH2+]CCNC(=O)[C@H]2COC(=O)N2)n1 ZINC001126548875 775577403 /nfs/dbraw/zinc/57/74/03/775577403.db2.gz UZCFBSRGXMXIKX-SSDOTTSWSA-N 1 2 269.261 -1.308 20 0 CAADLO Cn1[nH]c(C[NH2+]CCNC(=O)[C@H]2COC(=O)N2)nc1=O ZINC001126548688 775578050 /nfs/dbraw/zinc/57/80/50/775578050.db2.gz RJIQCAJIMQQDIV-ZCFIWIBFSA-N 1 2 284.276 -2.577 20 0 CAADLO CN(C)c1noc(C[NH2+]CCNC(=O)[C@H]2COC(=O)N2)n1 ZINC001126548917 775578371 /nfs/dbraw/zinc/57/83/71/775578371.db2.gz VQZVOSZSELLVCT-SSDOTTSWSA-N 1 2 298.303 -1.550 20 0 CAADLO O=C(NCC[NH2+]Cc1nncs1)[C@@H]1COC(=O)N1 ZINC001126553512 775579788 /nfs/dbraw/zinc/57/97/88/775579788.db2.gz JSHLCCXYDRTDMG-LURJTMIESA-N 1 2 271.302 -1.148 20 0 CAADLO O=C(NC[C@H]1CC[N@@H+]1CCN1CCNC1=O)c1cn[nH]n1 ZINC001038450998 775584339 /nfs/dbraw/zinc/58/43/39/775584339.db2.gz NKZVGTBJUYGAFV-SECBINFHSA-N 1 2 293.331 -1.366 20 0 CAADLO O=C(NC[C@H]1CC[N@H+]1CCN1CCNC1=O)c1cn[nH]n1 ZINC001038450998 775584343 /nfs/dbraw/zinc/58/43/43/775584343.db2.gz NKZVGTBJUYGAFV-SECBINFHSA-N 1 2 293.331 -1.366 20 0 CAADLO C[C@@H](C[NH2+][C@@H](C)C(N)=O)N(C)C(=O)Cc1ncn[nH]1 ZINC001271162320 775584556 /nfs/dbraw/zinc/58/45/56/775584556.db2.gz IYMVBZRAKVPVTK-YUMQZZPRSA-N 1 2 268.321 -1.343 20 0 CAADLO C[C@H](C[NH2+][C@H](C)C(N)=O)N(C)C(=O)Cc1ncn[nH]1 ZINC001271162132 775584898 /nfs/dbraw/zinc/58/48/98/775584898.db2.gz IYMVBZRAKVPVTK-HTQZYQBOSA-N 1 2 268.321 -1.343 20 0 CAADLO NC(=O)[C@H]1CCC2(CN(C(=O)[C@H](CO)n3cc[nH+]c3)C2)O1 ZINC001271177084 775590967 /nfs/dbraw/zinc/59/09/67/775590967.db2.gz KTXMRWUKFYSBLW-VHSXEESVSA-N 1 2 294.311 -1.338 20 0 CAADLO NC(=O)[C@]12C[C@H]1CCN2C(=O)[C@H](CO)n1cc[nH+]c1 ZINC001271176333 775591468 /nfs/dbraw/zinc/59/14/68/775591468.db2.gz FSONOWQYJDGYGV-PTRXPTGYSA-N 1 2 264.285 -1.107 20 0 CAADLO NC(=O)C12CC(NC(=O)[C@H](Cc3c[nH]c[nH+]3)NC=O)(C1)C2 ZINC001271194763 775594795 /nfs/dbraw/zinc/59/47/95/775594795.db2.gz PXPINONQGVNDAO-ALXWSUNGSA-N 1 2 291.311 -1.409 20 0 CAADLO NC(=O)C12CC(NC(=O)[C@H](Cc3c[nH+]c[nH]3)NC=O)(C1)C2 ZINC001271194763 775594798 /nfs/dbraw/zinc/59/47/98/775594798.db2.gz PXPINONQGVNDAO-ALXWSUNGSA-N 1 2 291.311 -1.409 20 0 CAADLO C[C@H](O)C[NH+]1CC(O)(CNC(=O)c2cocn2)C1 ZINC001271262369 775595987 /nfs/dbraw/zinc/59/59/87/775595987.db2.gz HKGVPXQAJSLKIF-QMMMGPOBSA-N 1 2 255.274 -1.168 20 0 CAADLO Cc1ncc(C(=O)NCC2(O)C[NH+](CCCO)C2)[nH]1 ZINC001271263226 775597367 /nfs/dbraw/zinc/59/73/67/775597367.db2.gz WCXFLNHXAVZLIT-UHFFFAOYSA-N 1 2 268.317 -1.123 20 0 CAADLO CCNC(=O)CC(=O)NCC1(O)C[NH+](CCCO)C1 ZINC001271276506 775598452 /nfs/dbraw/zinc/59/84/52/775598452.db2.gz UOLXMTYWPITVNW-UHFFFAOYSA-N 1 2 273.333 -1.942 20 0 CAADLO O=C(CO)N1C[C@@H]2COC[C@H](C1)N2CCn1cc[nH+]c1 ZINC001271275224 775598480 /nfs/dbraw/zinc/59/84/80/775598480.db2.gz SLPDCFZJAALMPB-TXEJJXNPSA-N 1 2 280.328 -1.213 20 0 CAADLO O=C(CO)N1C[C@@H]2OCCN(CCn3cc[nH+]c3)[C@H]2C1 ZINC001271274790 775598825 /nfs/dbraw/zinc/59/88/25/775598825.db2.gz JRHWEKKCNFUMQQ-RYUDHWBXSA-N 1 2 280.328 -1.213 20 0 CAADLO CCOCC[NH+]1CC(O)(CNC(=O)[C@H]2COC(=O)N2)C1 ZINC001271275847 775599162 /nfs/dbraw/zinc/59/91/62/775599162.db2.gz GRYFEJRLQWCHTD-SECBINFHSA-N 1 2 287.316 -1.706 20 0 CAADLO C[N@@H+]1CCO[C@H]2CN(C(=O)CCS(N)(=O)=O)C[C@H]21 ZINC001271285672 775599809 /nfs/dbraw/zinc/59/98/09/775599809.db2.gz YWTLQNCCXHVJOF-BDAKNGLRSA-N 1 2 277.346 -1.794 20 0 CAADLO C[N@H+]1CCO[C@H]2CN(C(=O)CCS(N)(=O)=O)C[C@H]21 ZINC001271285672 775599813 /nfs/dbraw/zinc/59/98/13/775599813.db2.gz YWTLQNCCXHVJOF-BDAKNGLRSA-N 1 2 277.346 -1.794 20 0 CAADLO CCOCC[NH+]1CC(O)(CNC(=O)C[C@H]2CCNC2=O)C1 ZINC001271298045 775601151 /nfs/dbraw/zinc/60/11/51/775601151.db2.gz SUZWTGYMHNEMKZ-LLVKDONJSA-N 1 2 299.371 -1.288 20 0 CAADLO O=C(N[C@@H]1C[N@H+](CCO)C[C@@H]1O)c1ncccc1O ZINC001083422404 775602056 /nfs/dbraw/zinc/60/20/56/775602056.db2.gz VOGFQGSJSNUKDG-SCZZXKLOSA-N 1 2 267.285 -1.446 20 0 CAADLO O=C(N[C@@H]1C[N@@H+](CCO)C[C@@H]1O)c1ncccc1O ZINC001083422404 775602062 /nfs/dbraw/zinc/60/20/62/775602062.db2.gz VOGFQGSJSNUKDG-SCZZXKLOSA-N 1 2 267.285 -1.446 20 0 CAADLO C[C@H](O)C[NH+]1CC(O)(CNC(=O)[C@H]2CCN(C)C2=O)C1 ZINC001271342837 775602499 /nfs/dbraw/zinc/60/24/99/775602499.db2.gz FAONRTIZRLQQRN-VHSXEESVSA-N 1 2 285.344 -1.992 20 0 CAADLO C[C@@H](O)C[NH+]1CC(O)(CNC(=O)[C@@H]2CCN(C)C2=O)C1 ZINC001271342838 775602623 /nfs/dbraw/zinc/60/26/23/775602623.db2.gz FAONRTIZRLQQRN-ZJUUUORDSA-N 1 2 285.344 -1.992 20 0 CAADLO C[C@H](O)CCC[NH+]1CC(O)(CNC(=O)C2(C(N)=O)CC2)C1 ZINC001271342884 775602829 /nfs/dbraw/zinc/60/28/29/775602829.db2.gz GIMOMOFOCJZMOL-JTQLQIEISA-N 1 2 299.371 -1.424 20 0 CAADLO C[C@@H](O)CCC[NH+]1CC(O)(CNC(=O)C2(C(N)=O)CC2)C1 ZINC001271342885 775603074 /nfs/dbraw/zinc/60/30/74/775603074.db2.gz GIMOMOFOCJZMOL-SNVBAGLBSA-N 1 2 299.371 -1.424 20 0 CAADLO C[C@@H](O)C[NH+]1CC(O)(CNC(=O)C2(C(N)=O)CC2)C1 ZINC001271343085 775603157 /nfs/dbraw/zinc/60/31/57/775603157.db2.gz HUZDFGZDTCDDLQ-MRVPVSSYSA-N 1 2 271.317 -2.204 20 0 CAADLO CC[NH+]1CC(O)(CNC(=O)[C@H]2CCN(C)C2=O)C1 ZINC001271343935 775603422 /nfs/dbraw/zinc/60/34/22/775603422.db2.gz WJCPLOIZAPAOCN-SECBINFHSA-N 1 2 255.318 -1.353 20 0 CAADLO C[C@H](O)C[NH+]1CC(O)(CNC(=O)[C@@H]2CCN(C)C2=O)C1 ZINC001271342836 775603444 /nfs/dbraw/zinc/60/34/44/775603444.db2.gz FAONRTIZRLQQRN-UWVGGRQHSA-N 1 2 285.344 -1.992 20 0 CAADLO C[C@@H](O)C[NH+]1CC(O)(CNC(=O)[C@H]2CCN(C)C2=O)C1 ZINC001271342835 775603490 /nfs/dbraw/zinc/60/34/90/775603490.db2.gz FAONRTIZRLQQRN-NXEZZACHSA-N 1 2 285.344 -1.992 20 0 CAADLO C[C@H]1CC[C@@H](C[NH+]2CC(O)(CNC(=O)C(N)=O)C2)O1 ZINC001271351410 775604439 /nfs/dbraw/zinc/60/44/39/775604439.db2.gz XHDASYNCGHIEHJ-IUCAKERBSA-N 1 2 271.317 -1.798 20 0 CAADLO C[C@@H]1CC[C@H](C[NH+]2CC(O)(CNC(=O)C(N)=O)C2)O1 ZINC001271351411 775604531 /nfs/dbraw/zinc/60/45/31/775604531.db2.gz XHDASYNCGHIEHJ-RKDXNWHRSA-N 1 2 271.317 -1.798 20 0 CAADLO CC[NH+]1CC(O)(CNC(=O)C[C@@H]2CCC(=O)N2)C1 ZINC001271367887 775605541 /nfs/dbraw/zinc/60/55/41/775605541.db2.gz FZAXYZPODLLWGN-VIFPVBQESA-N 1 2 255.318 -1.162 20 0 CAADLO C[C@H](O)C[NH+]1CC(O)(CNC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001271368167 775605589 /nfs/dbraw/zinc/60/55/89/775605589.db2.gz KZLBTSNTCMEFTN-QMMMGPOBSA-N 1 2 299.327 -2.417 20 0 CAADLO C[C@@H](O)C[NH+]1CC(O)(CNC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001271368166 775606161 /nfs/dbraw/zinc/60/61/61/775606161.db2.gz KZLBTSNTCMEFTN-MRVPVSSYSA-N 1 2 299.327 -2.417 20 0 CAADLO CN(C)C(=O)C[N@H+]1C[C@@H](NC(=O)C2=CCOCC2)[C@@H](O)C1 ZINC001083422528 775609111 /nfs/dbraw/zinc/60/91/11/775609111.db2.gz BXWIENICMIUOOQ-NEPJUHHUSA-N 1 2 297.355 -1.417 20 0 CAADLO CN(C)C(=O)C[N@@H+]1C[C@@H](NC(=O)C2=CCOCC2)[C@@H](O)C1 ZINC001083422528 775609115 /nfs/dbraw/zinc/60/91/15/775609115.db2.gz BXWIENICMIUOOQ-NEPJUHHUSA-N 1 2 297.355 -1.417 20 0 CAADLO O=C(N[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@@H]1O)C1=CCOCC1 ZINC001083422757 775609239 /nfs/dbraw/zinc/60/92/39/775609239.db2.gz ODWWKJQNHQXIKI-UTUOFQBUSA-N 1 2 295.339 -1.617 20 0 CAADLO O=C(N[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@@H]1O)C1=CCOCC1 ZINC001083422757 775609240 /nfs/dbraw/zinc/60/92/40/775609240.db2.gz ODWWKJQNHQXIKI-UTUOFQBUSA-N 1 2 295.339 -1.617 20 0 CAADLO CNC(=O)C(=O)N1C[C@@H](C(N)=O)[C@H](c2cn(C)c[nH+]2)C1 ZINC001271441511 775610250 /nfs/dbraw/zinc/61/02/50/775610250.db2.gz JZBAFZFSPAZZSY-HTQZYQBOSA-N 1 2 279.300 -1.807 20 0 CAADLO NC(=O)CCS(=O)(=O)CC[N@@H+]1CC[C@H](O)C1 ZINC000061708006 775610596 /nfs/dbraw/zinc/61/05/96/775610596.db2.gz XQWZQDIQGNIDPY-QMMMGPOBSA-N 1 2 250.320 -1.657 20 0 CAADLO NC(=O)CCS(=O)(=O)CC[N@H+]1CC[C@H](O)C1 ZINC000061708006 775610605 /nfs/dbraw/zinc/61/06/05/775610605.db2.gz XQWZQDIQGNIDPY-QMMMGPOBSA-N 1 2 250.320 -1.657 20 0 CAADLO CNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)C2=CCOCC2)[C@@H](O)C1 ZINC001083423930 775612538 /nfs/dbraw/zinc/61/25/38/775612538.db2.gz TZTCNHGOHAGUQN-WCQGTBRESA-N 1 2 297.355 -1.371 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)C2=CCOCC2)[C@@H](O)C1 ZINC001083423930 775612543 /nfs/dbraw/zinc/61/25/43/775612543.db2.gz TZTCNHGOHAGUQN-WCQGTBRESA-N 1 2 297.355 -1.371 20 0 CAADLO CNC(=O)C(=O)N1CCCC2(C[NH+](CC(=O)N(C)C)C2)C1 ZINC001271530262 775613516 /nfs/dbraw/zinc/61/35/16/775613516.db2.gz LIUOSRYUUMMJKX-UHFFFAOYSA-N 1 2 296.371 -1.255 20 0 CAADLO CNC(=O)C(=O)N1CC2(C1)CC[N@H+](COCCOC)C2 ZINC001271533669 775614611 /nfs/dbraw/zinc/61/46/11/775614611.db2.gz OZHRTWUJMAYBTQ-UHFFFAOYSA-N 1 2 285.344 -1.113 20 0 CAADLO CNC(=O)C(=O)N1CC2(C1)CC[N@@H+](COCCOC)C2 ZINC001271533669 775614615 /nfs/dbraw/zinc/61/46/15/775614615.db2.gz OZHRTWUJMAYBTQ-UHFFFAOYSA-N 1 2 285.344 -1.113 20 0 CAADLO Cn1c[nH+]c([C@@H]2CN(C(=O)C3(O)CC3)C[C@H]2C(N)=O)c1 ZINC001271586178 775614711 /nfs/dbraw/zinc/61/47/11/775614711.db2.gz FDEZPQZBDJYCLH-RKDXNWHRSA-N 1 2 278.312 -1.028 20 0 CAADLO COCCC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CCNC1=O ZINC001280412529 775617075 /nfs/dbraw/zinc/61/70/75/775617075.db2.gz OYFJLSYARNNQGR-RYUDHWBXSA-N 1 2 299.371 -1.024 20 0 CAADLO COCCC[N@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CCNC1=O ZINC001280412529 775617079 /nfs/dbraw/zinc/61/70/79/775617079.db2.gz OYFJLSYARNNQGR-RYUDHWBXSA-N 1 2 299.371 -1.024 20 0 CAADLO O=C(Cc1ccoc1)N[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@@H]1O ZINC001083424113 775618156 /nfs/dbraw/zinc/61/81/56/775618156.db2.gz BQUUMVZLTUEKRK-UTUOFQBUSA-N 1 2 293.323 -1.128 20 0 CAADLO O=C(Cc1ccoc1)N[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@@H]1O ZINC001083424113 775618162 /nfs/dbraw/zinc/61/81/62/775618162.db2.gz BQUUMVZLTUEKRK-UTUOFQBUSA-N 1 2 293.323 -1.128 20 0 CAADLO O=C(Cc1ccoc1)N[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@@H]1O ZINC001083424114 775618645 /nfs/dbraw/zinc/61/86/45/775618645.db2.gz BQUUMVZLTUEKRK-WOPDTQHZSA-N 1 2 293.323 -1.128 20 0 CAADLO O=C(Cc1ccoc1)N[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@@H]1O ZINC001083424114 775618652 /nfs/dbraw/zinc/61/86/52/775618652.db2.gz BQUUMVZLTUEKRK-WOPDTQHZSA-N 1 2 293.323 -1.128 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)Cc2ccoc2)[C@@H](O)C1 ZINC001083424515 775620441 /nfs/dbraw/zinc/62/04/41/775620441.db2.gz VOQZXZYKHPVCSI-IEBDPFPHSA-N 1 2 281.312 -1.143 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)Cc2ccoc2)[C@@H](O)C1 ZINC001083424515 775620444 /nfs/dbraw/zinc/62/04/44/775620444.db2.gz VOQZXZYKHPVCSI-IEBDPFPHSA-N 1 2 281.312 -1.143 20 0 CAADLO C[N@@H+]1CCO[C@H]2CN(C(=O)CC3CC(=O)NC(=O)C3)C[C@@H]21 ZINC001271791900 775623377 /nfs/dbraw/zinc/62/33/77/775623377.db2.gz SYZOHEWMVLSTIN-QWRGUYRKSA-N 1 2 295.339 -1.029 20 0 CAADLO C[N@H+]1CCO[C@H]2CN(C(=O)CC3CC(=O)NC(=O)C3)C[C@@H]21 ZINC001271791900 775623382 /nfs/dbraw/zinc/62/33/82/775623382.db2.gz SYZOHEWMVLSTIN-QWRGUYRKSA-N 1 2 295.339 -1.029 20 0 CAADLO Cn1c[nH+]c([C@@H]2CN(C(=O)[C@H]3CC(=O)N3)C[C@H]2C(N)=O)c1 ZINC001271859318 775626274 /nfs/dbraw/zinc/62/62/74/775626274.db2.gz DZDLMVMVCLVKTH-IWSPIJDZSA-N 1 2 291.311 -1.664 20 0 CAADLO Cn1c[nH+]c([C@@H]2CN(C(=O)[C@@H]3CC(=O)N3)C[C@H]2C(N)=O)c1 ZINC001271859317 775626645 /nfs/dbraw/zinc/62/66/45/775626645.db2.gz DZDLMVMVCLVKTH-HLTSFMKQSA-N 1 2 291.311 -1.664 20 0 CAADLO CCOC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)Cn1cnnn1 ZINC001142141597 775631593 /nfs/dbraw/zinc/63/15/93/775631593.db2.gz STTAVRIWCKMCKK-VIFPVBQESA-N 1 2 293.287 -1.313 20 0 CAADLO CCOC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)Cn1cnnn1 ZINC001142141597 775631600 /nfs/dbraw/zinc/63/16/00/775631600.db2.gz STTAVRIWCKMCKK-VIFPVBQESA-N 1 2 293.287 -1.313 20 0 CAADLO CCCOCC(=O)N[C@]1(CO)CCC[N@H+](CC(N)=O)C1 ZINC001271950177 775631754 /nfs/dbraw/zinc/63/17/54/775631754.db2.gz NLSMLTDLCGNOEJ-CYBMUJFWSA-N 1 2 287.360 -1.159 20 0 CAADLO CCCOCC(=O)N[C@]1(CO)CCC[N@@H+](CC(N)=O)C1 ZINC001271950177 775631758 /nfs/dbraw/zinc/63/17/58/775631758.db2.gz NLSMLTDLCGNOEJ-CYBMUJFWSA-N 1 2 287.360 -1.159 20 0 CAADLO CCCOCC(=O)N[C@@]1(CO)CCC[N@H+](CC(N)=O)C1 ZINC001271950178 775631857 /nfs/dbraw/zinc/63/18/57/775631857.db2.gz NLSMLTDLCGNOEJ-ZDUSSCGKSA-N 1 2 287.360 -1.159 20 0 CAADLO CCCOCC(=O)N[C@@]1(CO)CCC[N@@H+](CC(N)=O)C1 ZINC001271950178 775631865 /nfs/dbraw/zinc/63/18/65/775631865.db2.gz NLSMLTDLCGNOEJ-ZDUSSCGKSA-N 1 2 287.360 -1.159 20 0 CAADLO CC(=O)N[C@@H](C)C(=O)N(C)CC[N@H+](C)CC(N)=O ZINC001271957791 775632259 /nfs/dbraw/zinc/63/22/59/775632259.db2.gz ODSOLTXZZNUDSO-QMMMGPOBSA-N 1 2 258.322 -1.614 20 0 CAADLO CC(=O)N[C@@H](C)C(=O)N(C)CC[N@@H+](C)CC(N)=O ZINC001271957791 775632264 /nfs/dbraw/zinc/63/22/64/775632264.db2.gz ODSOLTXZZNUDSO-QMMMGPOBSA-N 1 2 258.322 -1.614 20 0 CAADLO C[C@@H]1[C@@H](NC(=O)c2cc[n+]([O-])cc2)CC[N@@H+]1CC(N)=O ZINC001088455738 775638304 /nfs/dbraw/zinc/63/83/04/775638304.db2.gz HESDALSXQAZLKV-KOLCDFICSA-N 1 2 278.312 -1.002 20 0 CAADLO C[C@@H]1[C@@H](NC(=O)c2cc[n+]([O-])cc2)CC[N@H+]1CC(N)=O ZINC001088455738 775638312 /nfs/dbraw/zinc/63/83/12/775638312.db2.gz HESDALSXQAZLKV-KOLCDFICSA-N 1 2 278.312 -1.002 20 0 CAADLO C[C@@H]1[C@@H](NC(=O)C2=COCCO2)CC[N@@H+]1CC(N)=O ZINC001088455560 775639274 /nfs/dbraw/zinc/63/92/74/775639274.db2.gz XEFYHIYCGURGFV-BDAKNGLRSA-N 1 2 269.301 -1.061 20 0 CAADLO C[C@@H]1[C@@H](NC(=O)C2=COCCO2)CC[N@H+]1CC(N)=O ZINC001088455560 775639279 /nfs/dbraw/zinc/63/92/79/775639279.db2.gz XEFYHIYCGURGFV-BDAKNGLRSA-N 1 2 269.301 -1.061 20 0 CAADLO Cc1nnc(CC(=O)N(C)CC[N@H+](C)CC(N)=O)[nH]1 ZINC001272012928 775639361 /nfs/dbraw/zinc/63/93/61/775639361.db2.gz CYIUUPDOGDIIOW-UHFFFAOYSA-N 1 2 268.321 -1.469 20 0 CAADLO Cc1nnc(CC(=O)N(C)CC[N@@H+](C)CC(N)=O)[nH]1 ZINC001272012928 775639364 /nfs/dbraw/zinc/63/93/64/775639364.db2.gz CYIUUPDOGDIIOW-UHFFFAOYSA-N 1 2 268.321 -1.469 20 0 CAADLO CN(CC[N@H+](C)CC(N)=O)C(=O)[C@]12C[C@H]1COC2 ZINC001272019889 775639921 /nfs/dbraw/zinc/63/99/21/775639921.db2.gz DFFCYKAUAMUUNV-CABZTGNLSA-N 1 2 255.318 -1.102 20 0 CAADLO CN(CC[N@@H+](C)CC(N)=O)C(=O)[C@]12C[C@H]1COC2 ZINC001272019889 775639929 /nfs/dbraw/zinc/63/99/29/775639929.db2.gz DFFCYKAUAMUUNV-CABZTGNLSA-N 1 2 255.318 -1.102 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2nccnc2N)[C@H]1C ZINC001088497141 775640202 /nfs/dbraw/zinc/64/02/02/775640202.db2.gz JMEUTEYTYCVFKK-BDAKNGLRSA-N 1 2 292.343 -1.003 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)c2nccnc2N)[C@H]1C ZINC001088497141 775640212 /nfs/dbraw/zinc/64/02/12/775640212.db2.gz JMEUTEYTYCVFKK-BDAKNGLRSA-N 1 2 292.343 -1.003 20 0 CAADLO C[C@@H]1[C@@H](NC(=O)[C@H]2COCCN2C)CC[N@@H+]1CC(N)=O ZINC001088531914 775643881 /nfs/dbraw/zinc/64/38/81/775643881.db2.gz VHMDEVCKALKMHK-OUAUKWLOSA-N 1 2 284.360 -1.619 20 0 CAADLO C[C@@H]1[C@@H](NC(=O)[C@H]2COCCN2C)CC[N@H+]1CC(N)=O ZINC001088531914 775643887 /nfs/dbraw/zinc/64/38/87/775643887.db2.gz VHMDEVCKALKMHK-OUAUKWLOSA-N 1 2 284.360 -1.619 20 0 CAADLO Cc1[nH]c(=O)[nH]c1C(=O)N(C)CC[N@H+](C)CC(N)=O ZINC001272041007 775645011 /nfs/dbraw/zinc/64/50/11/775645011.db2.gz JQWUOWHNFYFKIA-UHFFFAOYSA-N 1 2 269.305 -1.087 20 0 CAADLO Cc1[nH]c(=O)[nH]c1C(=O)N(C)CC[N@@H+](C)CC(N)=O ZINC001272041007 775645014 /nfs/dbraw/zinc/64/50/14/775645014.db2.gz JQWUOWHNFYFKIA-UHFFFAOYSA-N 1 2 269.305 -1.087 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cnnn2C)[C@H]1C ZINC001088548192 775645024 /nfs/dbraw/zinc/64/50/24/775645024.db2.gz IIWCHCSCIUSBTG-BDAKNGLRSA-N 1 2 280.332 -1.246 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cnnn2C)[C@H]1C ZINC001088548192 775645031 /nfs/dbraw/zinc/64/50/31/775645031.db2.gz IIWCHCSCIUSBTG-BDAKNGLRSA-N 1 2 280.332 -1.246 20 0 CAADLO Cc1nnc(CC(=O)NCC[NH2+]Cc2nc(=O)n(C)[nH]2)o1 ZINC001126664019 775645043 /nfs/dbraw/zinc/64/50/43/775645043.db2.gz QMWMDMWYMAUJNV-UHFFFAOYSA-N 1 2 295.303 -1.752 20 0 CAADLO Cn1cnc(C(=O)NCC[NH2+]Cc2nc(=O)n(C)[nH]2)n1 ZINC001126678191 775646801 /nfs/dbraw/zinc/64/68/01/775646801.db2.gz NLOZNPHNRCIRJU-UHFFFAOYSA-N 1 2 280.292 -2.244 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cn(C)nn2)[C@H]1C ZINC001088551857 775647429 /nfs/dbraw/zinc/64/74/29/775647429.db2.gz ZMORKESOTLNJOJ-BDAKNGLRSA-N 1 2 280.332 -1.246 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cn(C)nn2)[C@H]1C ZINC001088551857 775647435 /nfs/dbraw/zinc/64/74/35/775647435.db2.gz ZMORKESOTLNJOJ-BDAKNGLRSA-N 1 2 280.332 -1.246 20 0 CAADLO Cn1cnc(C(=O)NCC[NH2+]Cc2cnon2)n1 ZINC001126684402 775649134 /nfs/dbraw/zinc/64/91/34/775649134.db2.gz MREYGULXEPXKMT-UHFFFAOYSA-N 1 2 251.250 -1.282 20 0 CAADLO Cc1nc(N(C)C)nc(N[C@H]2C[C@@H](NC(=O)C(N)=O)C2)[nH+]1 ZINC001059803825 775649554 /nfs/dbraw/zinc/64/95/54/775649554.db2.gz FLHKGDMEFCEZDO-OCAPTIKFSA-N 1 2 293.331 -1.210 20 0 CAADLO CNC(=O)NCCC(=O)NCC[NH2+]Cc1nc(C)no1 ZINC001126689457 775650499 /nfs/dbraw/zinc/65/04/99/775650499.db2.gz XBTIKWIYAAKWRR-UHFFFAOYSA-N 1 2 284.320 -1.097 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2ncn(C)n2)[C@H]1C ZINC001088553801 775650575 /nfs/dbraw/zinc/65/05/75/775650575.db2.gz AQLWQZFFUIYPBZ-BDAKNGLRSA-N 1 2 280.332 -1.246 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)c2ncn(C)n2)[C@H]1C ZINC001088553801 775650588 /nfs/dbraw/zinc/65/05/88/775650588.db2.gz AQLWQZFFUIYPBZ-BDAKNGLRSA-N 1 2 280.332 -1.246 20 0 CAADLO CNC(=O)NCCC(=O)NCC[NH2+]Cc1cnon1 ZINC001126693123 775650691 /nfs/dbraw/zinc/65/06/91/775650691.db2.gz QTWGBDBYICRJAG-UHFFFAOYSA-N 1 2 270.293 -1.406 20 0 CAADLO C[N@@H+]1CCO[C@H](C(=O)N2[C@H]3CC[C@H]([C@H](O)C3)[C@H]2C(N)=O)C1 ZINC001272059407 775653302 /nfs/dbraw/zinc/65/33/02/775653302.db2.gz LHOQFGDOKIZFBY-KNZXXDILSA-N 1 2 297.355 -1.457 20 0 CAADLO C[N@H+]1CCO[C@H](C(=O)N2[C@H]3CC[C@H]([C@H](O)C3)[C@H]2C(N)=O)C1 ZINC001272059407 775653307 /nfs/dbraw/zinc/65/33/07/775653307.db2.gz LHOQFGDOKIZFBY-KNZXXDILSA-N 1 2 297.355 -1.457 20 0 CAADLO CN(CC[N@H+](C)CC(N)=O)C(=O)CCN1C(=O)CCC1=O ZINC001272060867 775653971 /nfs/dbraw/zinc/65/39/71/775653971.db2.gz MBQORFMWCNFMAZ-UHFFFAOYSA-N 1 2 298.343 -1.599 20 0 CAADLO CN(CC[N@@H+](C)CC(N)=O)C(=O)CCN1C(=O)CCC1=O ZINC001272060867 775653975 /nfs/dbraw/zinc/65/39/75/775653975.db2.gz MBQORFMWCNFMAZ-UHFFFAOYSA-N 1 2 298.343 -1.599 20 0 CAADLO C[N@@H+]1CCO[C@@H](C(=O)N2Cc3n[nH]c(C(N)=O)c3C2)C1 ZINC001272058998 775654116 /nfs/dbraw/zinc/65/41/16/775654116.db2.gz DWVZDFUQSCTTCQ-SECBINFHSA-N 1 2 279.300 -1.319 20 0 CAADLO C[N@H+]1CCO[C@@H](C(=O)N2Cc3n[nH]c(C(N)=O)c3C2)C1 ZINC001272058998 775654119 /nfs/dbraw/zinc/65/41/19/775654119.db2.gz DWVZDFUQSCTTCQ-SECBINFHSA-N 1 2 279.300 -1.319 20 0 CAADLO NC(=O)CC(=O)N1CC[C@@H](n2cc(C[NH2+]CCF)nn2)C1 ZINC001098641655 775655005 /nfs/dbraw/zinc/65/50/05/775655005.db2.gz WBHQBQLTZKLNSV-SNVBAGLBSA-N 1 2 298.322 -1.014 20 0 CAADLO Cn1nnc(C[NH2+]CCCNC(=O)C[C@H]2CCC(=O)N2)n1 ZINC001168224179 775657109 /nfs/dbraw/zinc/65/71/09/775657109.db2.gz BZCXVVVQCXRIQV-SECBINFHSA-N 1 2 295.347 -1.525 20 0 CAADLO C[C@H](CNC(=O)C(N)=O)Nc1ncnc2c1C[N@H+](C)CC2 ZINC001098242387 775659090 /nfs/dbraw/zinc/65/90/90/775659090.db2.gz KOMGILJUTAUXMI-MRVPVSSYSA-N 1 2 292.343 -1.134 20 0 CAADLO C[C@H](CNC(=O)C(N)=O)Nc1ncnc2c1C[N@@H+](C)CC2 ZINC001098242387 775659094 /nfs/dbraw/zinc/65/90/94/775659094.db2.gz KOMGILJUTAUXMI-MRVPVSSYSA-N 1 2 292.343 -1.134 20 0 CAADLO C[C@@H](CNC(=O)C(N)=O)Nc1ncnc2c1C[N@H+](C)CC2 ZINC001098242388 775659386 /nfs/dbraw/zinc/65/93/86/775659386.db2.gz KOMGILJUTAUXMI-QMMMGPOBSA-N 1 2 292.343 -1.134 20 0 CAADLO C[C@@H](CNC(=O)C(N)=O)Nc1ncnc2c1C[N@@H+](C)CC2 ZINC001098242388 775659395 /nfs/dbraw/zinc/65/93/95/775659395.db2.gz KOMGILJUTAUXMI-QMMMGPOBSA-N 1 2 292.343 -1.134 20 0 CAADLO Cc1nc(N(C)C)nc(N[C@H](C)CNC(=O)C(N)=O)[nH+]1 ZINC001098242508 775660538 /nfs/dbraw/zinc/66/05/38/775660538.db2.gz NMESXBAFXLVWBG-ZCFIWIBFSA-N 1 2 281.320 -1.352 20 0 CAADLO CNC(=O)C[N@@H+]1C[C@@H](NC(=O)CCCOC)[C@H](OC)C1 ZINC001211932833 775660938 /nfs/dbraw/zinc/66/09/38/775660938.db2.gz HNZOYQBFQVRMLB-GHMZBOCLSA-N 1 2 287.360 -1.026 20 0 CAADLO CNC(=O)C[N@H+]1C[C@@H](NC(=O)CCCOC)[C@H](OC)C1 ZINC001211932833 775660942 /nfs/dbraw/zinc/66/09/42/775660942.db2.gz HNZOYQBFQVRMLB-GHMZBOCLSA-N 1 2 287.360 -1.026 20 0 CAADLO C[C@@H]1C[C@H]([NH2+]Cc2nc(=O)n(C)[nH]2)CN1C(=O)CC(N)=O ZINC000988431252 775661651 /nfs/dbraw/zinc/66/16/51/775661651.db2.gz KFKSLDBCPGLEHD-SFYZADRCSA-N 1 2 296.331 -1.937 20 0 CAADLO CC[C@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)c2cnnn2C)[C@@H](O)C1 ZINC001083437567 775663848 /nfs/dbraw/zinc/66/38/48/775663848.db2.gz WQGDPFJQMSEZNZ-MRTMQBJTSA-N 1 2 296.331 -2.146 20 0 CAADLO CC[C@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)c2cnnn2C)[C@@H](O)C1 ZINC001083437567 775663850 /nfs/dbraw/zinc/66/38/50/775663850.db2.gz WQGDPFJQMSEZNZ-MRTMQBJTSA-N 1 2 296.331 -2.146 20 0 CAADLO CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCOC2)[C@H](OC)C1 ZINC001211972222 775664745 /nfs/dbraw/zinc/66/47/45/775664745.db2.gz FCZLNDTUDQRDET-IJLUTSLNSA-N 1 2 299.371 -1.026 20 0 CAADLO CCNC(=O)C[N@H+]1C[C@@H](NC(=O)[C@@H]2CCOC2)[C@H](OC)C1 ZINC001211972222 775664752 /nfs/dbraw/zinc/66/47/52/775664752.db2.gz FCZLNDTUDQRDET-IJLUTSLNSA-N 1 2 299.371 -1.026 20 0 CAADLO CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)[C@H]2CCOC2)[C@H](OC)C1 ZINC001211972223 775665372 /nfs/dbraw/zinc/66/53/72/775665372.db2.gz FCZLNDTUDQRDET-QJPTWQEYSA-N 1 2 299.371 -1.026 20 0 CAADLO CCNC(=O)C[N@H+]1C[C@@H](NC(=O)[C@H]2CCOC2)[C@H](OC)C1 ZINC001211972223 775665375 /nfs/dbraw/zinc/66/53/75/775665375.db2.gz FCZLNDTUDQRDET-QJPTWQEYSA-N 1 2 299.371 -1.026 20 0 CAADLO CN(CC[N@H+](C)CC(N)=O)C(=O)c1nnn(C)n1 ZINC001272087231 775665400 /nfs/dbraw/zinc/66/54/00/775665400.db2.gz NVZMTCYEWXTSHP-UHFFFAOYSA-N 1 2 255.282 -2.301 20 0 CAADLO CN(CC[N@@H+](C)CC(N)=O)C(=O)c1nnn(C)n1 ZINC001272087231 775665404 /nfs/dbraw/zinc/66/54/04/775665404.db2.gz NVZMTCYEWXTSHP-UHFFFAOYSA-N 1 2 255.282 -2.301 20 0 CAADLO CN(CC[N@H+](C)CC(N)=O)C(=O)[C@H]1CCN(C)C1=O ZINC001272087651 775665546 /nfs/dbraw/zinc/66/55/46/775665546.db2.gz VTQLQEZFETXHGO-VIFPVBQESA-N 1 2 270.333 -1.660 20 0 CAADLO CN(CC[N@@H+](C)CC(N)=O)C(=O)[C@H]1CCN(C)C1=O ZINC001272087651 775665549 /nfs/dbraw/zinc/66/55/49/775665549.db2.gz VTQLQEZFETXHGO-VIFPVBQESA-N 1 2 270.333 -1.660 20 0 CAADLO CO[C@@H]1C[N@@H+]([C@@H](C)C(N)=O)C[C@H]1NC(=O)CC(N)=O ZINC001212070879 775670062 /nfs/dbraw/zinc/67/00/62/775670062.db2.gz BKSQYDBUJRPXHE-XLPZGREQSA-N 1 2 272.305 -2.449 20 0 CAADLO CO[C@@H]1C[N@H+]([C@@H](C)C(N)=O)C[C@H]1NC(=O)CC(N)=O ZINC001212070879 775670070 /nfs/dbraw/zinc/67/00/70/775670070.db2.gz BKSQYDBUJRPXHE-XLPZGREQSA-N 1 2 272.305 -2.449 20 0 CAADLO CO[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@H]1NC(=O)CC(N)=O ZINC001212068967 775671208 /nfs/dbraw/zinc/67/12/08/775671208.db2.gz IPPXRSRHPUAXOS-HRDYMLBCSA-N 1 2 284.316 -2.434 20 0 CAADLO CO[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@H]1NC(=O)CC(N)=O ZINC001212068967 775671211 /nfs/dbraw/zinc/67/12/11/775671211.db2.gz IPPXRSRHPUAXOS-HRDYMLBCSA-N 1 2 284.316 -2.434 20 0 CAADLO CO[C@@H]1C[N@@H+]([C@H]2CCN(C)C2=O)C[C@H]1NC(=O)CC(N)=O ZINC001212073744 775672871 /nfs/dbraw/zinc/67/28/71/775672871.db2.gz OOGLGYWIXDCZKB-KXUCPTDWSA-N 1 2 298.343 -2.092 20 0 CAADLO CO[C@@H]1C[N@H+]([C@H]2CCN(C)C2=O)C[C@H]1NC(=O)CC(N)=O ZINC001212073744 775672877 /nfs/dbraw/zinc/67/28/77/775672877.db2.gz OOGLGYWIXDCZKB-KXUCPTDWSA-N 1 2 298.343 -2.092 20 0 CAADLO CC[C@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)c2n[nH]cc2C)[C@@H](O)C1 ZINC001083451251 775674263 /nfs/dbraw/zinc/67/42/63/775674263.db2.gz HHNJYUNTAZVZGZ-BBBLOLIVSA-N 1 2 295.343 -1.243 20 0 CAADLO CC[C@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)c2n[nH]cc2C)[C@@H](O)C1 ZINC001083451251 775674271 /nfs/dbraw/zinc/67/42/71/775674271.db2.gz HHNJYUNTAZVZGZ-BBBLOLIVSA-N 1 2 295.343 -1.243 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)Cc2ccn(C)n2)[C@@H](O)C1 ZINC001083452857 775674554 /nfs/dbraw/zinc/67/45/54/775674554.db2.gz FSRGXFINXIWMAX-GDPRMGEGSA-N 1 2 295.343 -2.002 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)Cc2ccn(C)n2)[C@@H](O)C1 ZINC001083452857 775674560 /nfs/dbraw/zinc/67/45/60/775674560.db2.gz FSRGXFINXIWMAX-GDPRMGEGSA-N 1 2 295.343 -2.002 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)Cc2ccn(C)n2)[C@@H](O)C1 ZINC001083452858 775675158 /nfs/dbraw/zinc/67/51/58/775675158.db2.gz FSRGXFINXIWMAX-IEBDPFPHSA-N 1 2 295.343 -2.002 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)Cc2ccn(C)n2)[C@@H](O)C1 ZINC001083452858 775675163 /nfs/dbraw/zinc/67/51/63/775675163.db2.gz FSRGXFINXIWMAX-IEBDPFPHSA-N 1 2 295.343 -2.002 20 0 CAADLO Cc1nnc(CC(=O)N[C@@H]2C[N@H+](CCF)C[C@@H]2O)[nH]1 ZINC001083452532 775675268 /nfs/dbraw/zinc/67/52/68/775675268.db2.gz OJMNVPIBVURLTF-BDAKNGLRSA-N 1 2 271.296 -1.214 20 0 CAADLO Cc1nnc(CC(=O)N[C@@H]2C[N@@H+](CCF)C[C@@H]2O)[nH]1 ZINC001083452532 775675273 /nfs/dbraw/zinc/67/52/73/775675273.db2.gz OJMNVPIBVURLTF-BDAKNGLRSA-N 1 2 271.296 -1.214 20 0 CAADLO Cc1nc(CC(=O)N[C@@H]2C[N@H+](CCO)C[C@@H]2O)n[nH]1 ZINC001083453174 775675351 /nfs/dbraw/zinc/67/53/51/775675351.db2.gz SZQXROQRCURLDD-BDAKNGLRSA-N 1 2 269.305 -2.191 20 0 CAADLO Cc1nc(CC(=O)N[C@@H]2C[N@@H+](CCO)C[C@@H]2O)n[nH]1 ZINC001083453174 775675354 /nfs/dbraw/zinc/67/53/54/775675354.db2.gz SZQXROQRCURLDD-BDAKNGLRSA-N 1 2 269.305 -2.191 20 0 CAADLO CN(CC[N@H+](C)CC(N)=O)C(=O)c1ccnnc1 ZINC001272117411 775676788 /nfs/dbraw/zinc/67/67/88/775676788.db2.gz GLEUWOOXXSDXCN-UHFFFAOYSA-N 1 2 251.290 -1.034 20 0 CAADLO CN(CC[N@@H+](C)CC(N)=O)C(=O)c1ccnnc1 ZINC001272117411 775676789 /nfs/dbraw/zinc/67/67/89/775676789.db2.gz GLEUWOOXXSDXCN-UHFFFAOYSA-N 1 2 251.290 -1.034 20 0 CAADLO CCNC(=O)C[N@H+](C)CCN(C)C(=O)c1nc[nH]n1 ZINC001272137307 775678541 /nfs/dbraw/zinc/67/85/41/775678541.db2.gz HLAYIQPMWBKZIO-UHFFFAOYSA-N 1 2 268.321 -1.055 20 0 CAADLO CCNC(=O)C[N@@H+](C)CCN(C)C(=O)c1nc[nH]n1 ZINC001272137307 775678547 /nfs/dbraw/zinc/67/85/47/775678547.db2.gz HLAYIQPMWBKZIO-UHFFFAOYSA-N 1 2 268.321 -1.055 20 0 CAADLO Cn1[nH]c(C[NH2+]CCNC(=O)[C@H]2CC2(F)F)nc1=O ZINC001126763907 775678718 /nfs/dbraw/zinc/67/87/18/775678718.db2.gz DVBRYRAHPREOBL-ZCFIWIBFSA-N 1 2 275.259 -1.031 20 0 CAADLO CCOC(=O)C(=O)N1CC2(C1)C[NH+](CC(=O)N(C)C)C2 ZINC001272127742 775678856 /nfs/dbraw/zinc/67/88/56/775678856.db2.gz NIBVNFISGWGNFN-UHFFFAOYSA-N 1 2 283.328 -1.218 20 0 CAADLO C[C@@H]1[C@@H](NC(=O)[C@H]2OCCO[C@H]2C)CC[N@@H+]1CC(N)=O ZINC001088633787 775681153 /nfs/dbraw/zinc/68/11/53/775681153.db2.gz CMTVNCZIBTXYET-WDCWCFNPSA-N 1 2 285.344 -1.145 20 0 CAADLO C[C@@H]1[C@@H](NC(=O)[C@H]2OCCO[C@H]2C)CC[N@H+]1CC(N)=O ZINC001088633787 775681160 /nfs/dbraw/zinc/68/11/60/775681160.db2.gz CMTVNCZIBTXYET-WDCWCFNPSA-N 1 2 285.344 -1.145 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)Cn2ncnn2)[C@@H](O)C1 ZINC001083464165 775683741 /nfs/dbraw/zinc/68/37/41/775683741.db2.gz RPIAICOWKRLUDF-RNJXMRFFSA-N 1 2 283.292 -3.292 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)Cn2ncnn2)[C@@H](O)C1 ZINC001083464165 775683754 /nfs/dbraw/zinc/68/37/54/775683754.db2.gz RPIAICOWKRLUDF-RNJXMRFFSA-N 1 2 283.292 -3.292 20 0 CAADLO O=C(Cn1ncnn1)N[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@@H]1O ZINC001083463876 775684091 /nfs/dbraw/zinc/68/40/91/775684091.db2.gz FMIQUCDSQPASML-HLTSFMKQSA-N 1 2 295.303 -3.277 20 0 CAADLO O=C(Cn1ncnn1)N[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@@H]1O ZINC001083463876 775684097 /nfs/dbraw/zinc/68/40/97/775684097.db2.gz FMIQUCDSQPASML-HLTSFMKQSA-N 1 2 295.303 -3.277 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)Cn2ncnn2)[C@@H](O)C1 ZINC001083464164 775684154 /nfs/dbraw/zinc/68/41/54/775684154.db2.gz RPIAICOWKRLUDF-PRJMDXOYSA-N 1 2 283.292 -3.292 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)Cn2ncnn2)[C@@H](O)C1 ZINC001083464164 775684158 /nfs/dbraw/zinc/68/41/58/775684158.db2.gz RPIAICOWKRLUDF-PRJMDXOYSA-N 1 2 283.292 -3.292 20 0 CAADLO CS(=O)(=O)CCC(=O)N1CN[C@H]([NH3+])[C@H]2NCN[C@H]21 ZINC001142535774 775685768 /nfs/dbraw/zinc/68/57/68/775685768.db2.gz BFADAGMCFSTYCA-VGMNWLOBSA-N 1 2 277.350 -3.060 20 0 CAADLO NC(=O)[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C(N)=O ZINC001168318373 775686701 /nfs/dbraw/zinc/68/67/01/775686701.db2.gz HLSTUDSSKNDORL-OCAPTIKFSA-N 1 2 265.273 -2.003 20 0 CAADLO Cn1nnc(C(=O)N[C@@H](CO)c2c[nH+]cn2C)n1 ZINC001168348198 775690843 /nfs/dbraw/zinc/69/08/43/775690843.db2.gz BIFHCUUKPIOBQB-LURJTMIESA-N 1 2 251.250 -1.593 20 0 CAADLO Cn1c[nH+]cc1[C@@H](CO)NC(=O)[C@H]1C[C@H]1C(N)=O ZINC001168349938 775690984 /nfs/dbraw/zinc/69/09/84/775690984.db2.gz QLDISYVGOZXRNW-GJMOJQLCSA-N 1 2 252.274 -1.309 20 0 CAADLO Cn1nnc(C(=O)N[C@H](CO)c2c[nH+]cn2C)n1 ZINC001168348199 775691296 /nfs/dbraw/zinc/69/12/96/775691296.db2.gz BIFHCUUKPIOBQB-ZCFIWIBFSA-N 1 2 251.250 -1.593 20 0 CAADLO COc1cc(C(=O)N[C@@H]2C[N@H+](CCO)C[C@@H]2O)sn1 ZINC001083471158 775692642 /nfs/dbraw/zinc/69/26/42/775692642.db2.gz HZHBPMIZZUTBFY-SFYZADRCSA-N 1 2 287.341 -1.081 20 0 CAADLO COc1cc(C(=O)N[C@@H]2C[N@@H+](CCO)C[C@@H]2O)sn1 ZINC001083471158 775692648 /nfs/dbraw/zinc/69/26/48/775692648.db2.gz HZHBPMIZZUTBFY-SFYZADRCSA-N 1 2 287.341 -1.081 20 0 CAADLO C[C@@H](C(=O)N1CC[C@H]2C[N@H+](CCO)C[C@H]21)S(C)(=O)=O ZINC001075954028 775692706 /nfs/dbraw/zinc/69/27/06/775692706.db2.gz CDADAPVWXPGPDB-GARJFASQSA-N 1 2 290.385 -1.056 20 0 CAADLO C[C@@H](C(=O)N1CC[C@H]2C[N@@H+](CCO)C[C@H]21)S(C)(=O)=O ZINC001075954028 775692711 /nfs/dbraw/zinc/69/27/11/775692711.db2.gz CDADAPVWXPGPDB-GARJFASQSA-N 1 2 290.385 -1.056 20 0 CAADLO C[C@@H](CCNC(=O)CC(N)=O)NC(=O)Cc1[nH]cc[nH+]1 ZINC001075989761 775694345 /nfs/dbraw/zinc/69/43/45/775694345.db2.gz XBCLUNVSCYAMDS-QMMMGPOBSA-N 1 2 281.316 -1.161 20 0 CAADLO NC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)c3cn[nH]n3)[C@@H]2C1 ZINC001075983030 775695009 /nfs/dbraw/zinc/69/50/09/775695009.db2.gz NUAQVMMTEPETRC-IONNQARKSA-N 1 2 264.289 -1.564 20 0 CAADLO NC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)c3cn[nH]n3)[C@@H]2C1 ZINC001075983030 775695017 /nfs/dbraw/zinc/69/50/17/775695017.db2.gz NUAQVMMTEPETRC-IONNQARKSA-N 1 2 264.289 -1.564 20 0 CAADLO CC(C)c1nnnn1CC(=O)N1CC[NH+](CCO)CC1 ZINC000175007296 775698098 /nfs/dbraw/zinc/69/80/98/775698098.db2.gz FPNNPZWKSVKKQG-UHFFFAOYSA-N 1 2 282.348 -1.067 20 0 CAADLO O=C(N[C@@H]1C[N@@H+](CCCF)C[C@@H]1O)C1CS(=O)(=O)C1 ZINC001083486493 775698302 /nfs/dbraw/zinc/69/83/02/775698302.db2.gz BYWYXSMUBFDRDP-ZJUUUORDSA-N 1 2 294.348 -1.448 20 0 CAADLO O=C(N[C@@H]1C[N@H+](CCCF)C[C@@H]1O)C1CS(=O)(=O)C1 ZINC001083486493 775698324 /nfs/dbraw/zinc/69/83/24/775698324.db2.gz BYWYXSMUBFDRDP-ZJUUUORDSA-N 1 2 294.348 -1.448 20 0 CAADLO CNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)c2cc[nH]c2)[C@@H](O)C1 ZINC001083482727 775698457 /nfs/dbraw/zinc/69/84/57/775698457.db2.gz RLSPNZFNNAQMRL-GDPRMGEGSA-N 1 2 280.328 -1.076 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2cc[nH]c2)[C@@H](O)C1 ZINC001083482727 775698460 /nfs/dbraw/zinc/69/84/60/775698460.db2.gz RLSPNZFNNAQMRL-GDPRMGEGSA-N 1 2 280.328 -1.076 20 0 CAADLO CC[N@H+]1C[C@@H](NC(=O)C2CS(=O)(=O)C2)[C@@H](O)C1 ZINC001083487019 775698483 /nfs/dbraw/zinc/69/84/83/775698483.db2.gz AURNYUQUYHHWMG-BDAKNGLRSA-N 1 2 262.331 -1.788 20 0 CAADLO CC[N@@H+]1C[C@@H](NC(=O)C2CS(=O)(=O)C2)[C@@H](O)C1 ZINC001083487019 775698488 /nfs/dbraw/zinc/69/84/88/775698488.db2.gz AURNYUQUYHHWMG-BDAKNGLRSA-N 1 2 262.331 -1.788 20 0 CAADLO CN(C)C(=O)C[N@H+]1C[C@@H](NC(=O)c2cc[nH]c2)[C@@H](O)C1 ZINC001083479158 775699208 /nfs/dbraw/zinc/69/92/08/775699208.db2.gz YJBNMBMDSPZKNK-MNOVXSKESA-N 1 2 280.328 -1.122 20 0 CAADLO CN(C)C(=O)C[N@@H+]1C[C@@H](NC(=O)c2cc[nH]c2)[C@@H](O)C1 ZINC001083479158 775699213 /nfs/dbraw/zinc/69/92/13/775699213.db2.gz YJBNMBMDSPZKNK-MNOVXSKESA-N 1 2 280.328 -1.122 20 0 CAADLO Cn1[nH]c(C[NH2+]CCNC(=O)CC2(O)CCC2)nc1=O ZINC001126848034 775699807 /nfs/dbraw/zinc/69/98/07/775699807.db2.gz KGTSBNJVUNTQKK-UHFFFAOYSA-N 1 2 283.332 -1.381 20 0 CAADLO O=C(N[C@@H]1C[N@H+](CCCO)C[C@@H]1O)C1CS(=O)(=O)C1 ZINC001083487478 775700222 /nfs/dbraw/zinc/70/02/22/775700222.db2.gz XWXVVJNEELDNGK-ZJUUUORDSA-N 1 2 292.357 -2.425 20 0 CAADLO O=C(N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O)C1CS(=O)(=O)C1 ZINC001083487478 775700231 /nfs/dbraw/zinc/70/02/31/775700231.db2.gz XWXVVJNEELDNGK-ZJUUUORDSA-N 1 2 292.357 -2.425 20 0 CAADLO CN(C)C(=O)C[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CCC(=O)N1 ZINC001038118348 775700265 /nfs/dbraw/zinc/70/02/65/775700265.db2.gz BFPONZOZAHZLEU-VHSXEESVSA-N 1 2 282.344 -1.456 20 0 CAADLO CN(C)C(=O)C[N@H+]1CC[C@H]1CNC(=O)[C@H]1CCC(=O)N1 ZINC001038118348 775700277 /nfs/dbraw/zinc/70/02/77/775700277.db2.gz BFPONZOZAHZLEU-VHSXEESVSA-N 1 2 282.344 -1.456 20 0 CAADLO Cc1nn[nH]c1C(=O)N[C@H]1CC[N@H+](CC(N)=O)[C@@H]1C ZINC001088788337 775700893 /nfs/dbraw/zinc/70/08/93/775700893.db2.gz FRQFXLKWRPDNAH-SFYZADRCSA-N 1 2 266.305 -1.209 20 0 CAADLO Cc1nn[nH]c1C(=O)N[C@H]1CC[N@@H+](CC(N)=O)[C@@H]1C ZINC001088788337 775700903 /nfs/dbraw/zinc/70/09/03/775700903.db2.gz FRQFXLKWRPDNAH-SFYZADRCSA-N 1 2 266.305 -1.209 20 0 CAADLO O=C(Cn1nccn1)N[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@@H]1O ZINC001083492688 775700971 /nfs/dbraw/zinc/70/09/71/775700971.db2.gz OMXWTZBAXZHOEI-BBBLOLIVSA-N 1 2 294.315 -2.672 20 0 CAADLO O=C(Cn1nccn1)N[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@@H]1O ZINC001083492688 775700978 /nfs/dbraw/zinc/70/09/78/775700978.db2.gz OMXWTZBAXZHOEI-BBBLOLIVSA-N 1 2 294.315 -2.672 20 0 CAADLO CCC[N@H+]1C[C@@H](NC(=O)C2CS(=O)(=O)C2)[C@@H](O)C1 ZINC001083487793 775700992 /nfs/dbraw/zinc/70/09/92/775700992.db2.gz KVRZQBUEMFMSFH-ZJUUUORDSA-N 1 2 276.358 -1.398 20 0 CAADLO CCC[N@@H+]1C[C@@H](NC(=O)C2CS(=O)(=O)C2)[C@@H](O)C1 ZINC001083487793 775701002 /nfs/dbraw/zinc/70/10/02/775701002.db2.gz KVRZQBUEMFMSFH-ZJUUUORDSA-N 1 2 276.358 -1.398 20 0 CAADLO C[C@@H](O)C[N@H+]1C[C@@H](NC(=O)C2CS(=O)(=O)C2)[C@@H](O)C1 ZINC001083487385 775701054 /nfs/dbraw/zinc/70/10/54/775701054.db2.gz SNDMJYWSBUALEF-QNSHHTMESA-N 1 2 292.357 -2.427 20 0 CAADLO C[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)C2CS(=O)(=O)C2)[C@@H](O)C1 ZINC001083487385 775701062 /nfs/dbraw/zinc/70/10/62/775701062.db2.gz SNDMJYWSBUALEF-QNSHHTMESA-N 1 2 292.357 -2.427 20 0 CAADLO CC[C@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)Cn2nccn2)[C@@H](O)C1 ZINC001083492428 775701266 /nfs/dbraw/zinc/70/12/66/775701266.db2.gz BFOQGWLRBWFITD-BBBLOLIVSA-N 1 2 296.331 -2.297 20 0 CAADLO CC[C@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)Cn2nccn2)[C@@H](O)C1 ZINC001083492428 775701271 /nfs/dbraw/zinc/70/12/71/775701271.db2.gz BFOQGWLRBWFITD-BBBLOLIVSA-N 1 2 296.331 -2.297 20 0 CAADLO O=C(Cn1nccn1)N[C@@H]1C[N@@H+](CCF)C[C@@H]1O ZINC001083492720 775701654 /nfs/dbraw/zinc/70/16/54/775701654.db2.gz PRNDLIUKNLFDMG-BDAKNGLRSA-N 1 2 257.269 -1.591 20 0 CAADLO O=C(Cn1nccn1)N[C@@H]1C[N@H+](CCF)C[C@@H]1O ZINC001083492720 775701663 /nfs/dbraw/zinc/70/16/63/775701663.db2.gz PRNDLIUKNLFDMG-BDAKNGLRSA-N 1 2 257.269 -1.591 20 0 CAADLO C[C@@H](CCNC(=O)CC(N)=O)NC(=O)Cc1c[nH]c[nH+]1 ZINC001075998003 775701730 /nfs/dbraw/zinc/70/17/30/775701730.db2.gz VGAAYPLEWSZHDH-QMMMGPOBSA-N 1 2 281.316 -1.161 20 0 CAADLO O=C(N[C@@H]1C[N@H+](CCO)C[C@@H]1O)c1ccns1 ZINC001083500357 775702589 /nfs/dbraw/zinc/70/25/89/775702589.db2.gz RVRHIPICPUKBNV-SFYZADRCSA-N 1 2 257.315 -1.090 20 0 CAADLO O=C(N[C@@H]1C[N@@H+](CCO)C[C@@H]1O)c1ccns1 ZINC001083500357 775702595 /nfs/dbraw/zinc/70/25/95/775702595.db2.gz RVRHIPICPUKBNV-SFYZADRCSA-N 1 2 257.315 -1.090 20 0 CAADLO C[C@@H]1[C@@H](NC(=O)c2nnn(C)n2)CC[N@@H+]1CC(=O)N(C)C ZINC001088800812 775703349 /nfs/dbraw/zinc/70/33/49/775703349.db2.gz UGKNVCFREWIPPL-BDAKNGLRSA-N 1 2 295.347 -1.509 20 0 CAADLO C[C@@H]1[C@@H](NC(=O)c2nnn(C)n2)CC[N@H+]1CC(=O)N(C)C ZINC001088800812 775703360 /nfs/dbraw/zinc/70/33/60/775703360.db2.gz UGKNVCFREWIPPL-BDAKNGLRSA-N 1 2 295.347 -1.509 20 0 CAADLO O=C([C@H]1[C@@H]2COC[C@@H]21)N(CCO)CC[NH2+]Cc1cnon1 ZINC001272233573 775705467 /nfs/dbraw/zinc/70/54/67/775705467.db2.gz CDAOVTFUHYBZEM-GDNZZTSVSA-N 1 2 296.327 -1.128 20 0 CAADLO O=C(C[C@@H]1CCNC1=O)N[C@@H]1C[N@@H+](CCF)C[C@@H]1O ZINC001083521166 775709816 /nfs/dbraw/zinc/70/98/16/775709816.db2.gz MMTJQSROMXCGMS-AEJSXWLSSA-N 1 2 273.308 -1.357 20 0 CAADLO O=C(C[C@@H]1CCNC1=O)N[C@@H]1C[N@H+](CCF)C[C@@H]1O ZINC001083521166 775709820 /nfs/dbraw/zinc/70/98/20/775709820.db2.gz MMTJQSROMXCGMS-AEJSXWLSSA-N 1 2 273.308 -1.357 20 0 CAADLO Cn1ncnc1C[NH2+]CCN(CCO)C(=O)C(N)=O ZINC001272241931 775711619 /nfs/dbraw/zinc/71/16/19/775711619.db2.gz BVRFTIJPVWSKSE-UHFFFAOYSA-N 1 2 270.293 -2.789 20 0 CAADLO O=C(C[C@@H]1NC(=O)NC1=O)N[C@@H]1C[N@@H+](CCF)C[C@@H]1O ZINC001083534435 775714238 /nfs/dbraw/zinc/71/42/38/775714238.db2.gz UUYOLGOVSUJDPY-RNJXMRFFSA-N 1 2 288.279 -2.285 20 0 CAADLO O=C(C[C@@H]1NC(=O)NC1=O)N[C@@H]1C[N@H+](CCF)C[C@@H]1O ZINC001083534435 775714240 /nfs/dbraw/zinc/71/42/40/775714240.db2.gz UUYOLGOVSUJDPY-RNJXMRFFSA-N 1 2 288.279 -2.285 20 0 CAADLO Nc1cnc(C(=O)N2CC[NH+](CCO)CC2)cn1 ZINC000230090706 775714585 /nfs/dbraw/zinc/71/45/85/775714585.db2.gz HVCSMGWUDWFUBY-UHFFFAOYSA-N 1 2 251.290 -1.191 20 0 CAADLO C[C@@H]1[C@@H](NC(=O)C(N)=O)CC[N@@H+]1CC(=O)N1CCCC1 ZINC001088830777 775715842 /nfs/dbraw/zinc/71/58/42/775715842.db2.gz CUKULHOVFUUSMY-ZJUUUORDSA-N 1 2 282.344 -1.327 20 0 CAADLO C[C@@H]1[C@@H](NC(=O)C(N)=O)CC[N@H+]1CC(=O)N1CCCC1 ZINC001088830777 775715853 /nfs/dbraw/zinc/71/58/53/775715853.db2.gz CUKULHOVFUUSMY-ZJUUUORDSA-N 1 2 282.344 -1.327 20 0 CAADLO C[C@@H]1[C@@H](NC(=O)C(N)=O)CC[N@@H+]1CC(=O)N1CCC1 ZINC001088830913 775717006 /nfs/dbraw/zinc/71/70/06/775717006.db2.gz LDKSVEHQAVHAIT-BDAKNGLRSA-N 1 2 268.317 -1.717 20 0 CAADLO C[C@@H]1[C@@H](NC(=O)C(N)=O)CC[N@H+]1CC(=O)N1CCC1 ZINC001088830913 775717008 /nfs/dbraw/zinc/71/70/08/775717008.db2.gz LDKSVEHQAVHAIT-BDAKNGLRSA-N 1 2 268.317 -1.717 20 0 CAADLO C[C@@H]1[C@@H](NC(=O)C(N)=O)CC[N@@H+]1CC(=O)N(C)C ZINC001088831216 775717716 /nfs/dbraw/zinc/71/77/16/775717716.db2.gz BAMFDDHKTOCIME-SFYZADRCSA-N 1 2 256.306 -1.861 20 0 CAADLO C[C@@H]1[C@@H](NC(=O)C(N)=O)CC[N@H+]1CC(=O)N(C)C ZINC001088831216 775717729 /nfs/dbraw/zinc/71/77/29/775717729.db2.gz BAMFDDHKTOCIME-SFYZADRCSA-N 1 2 256.306 -1.861 20 0 CAADLO C[C@@H]1[C@@H](NC(=O)C(N)=O)CC[N@@H+]1CC(=O)N1CCOCC1 ZINC001088831429 775717827 /nfs/dbraw/zinc/71/78/27/775717827.db2.gz LRPXSCXYEIOQHD-ZJUUUORDSA-N 1 2 298.343 -2.091 20 0 CAADLO C[C@@H]1[C@@H](NC(=O)C(N)=O)CC[N@H+]1CC(=O)N1CCOCC1 ZINC001088831429 775717836 /nfs/dbraw/zinc/71/78/36/775717836.db2.gz LRPXSCXYEIOQHD-ZJUUUORDSA-N 1 2 298.343 -2.091 20 0 CAADLO Cn1cncc1C[N@@H+]1C[C@@H]2CCN(C(=O)C(N)=O)[C@@H]2C1 ZINC001076194065 775718435 /nfs/dbraw/zinc/71/84/35/775718435.db2.gz VPPDPQZXGYBXJU-GXSJLCMTSA-N 1 2 277.328 -1.062 20 0 CAADLO Cn1cncc1C[N@H+]1C[C@@H]2CCN(C(=O)C(N)=O)[C@@H]2C1 ZINC001076194065 775718440 /nfs/dbraw/zinc/71/84/40/775718440.db2.gz VPPDPQZXGYBXJU-GXSJLCMTSA-N 1 2 277.328 -1.062 20 0 CAADLO Cn1nnc(C(=O)N2CC[C@H]3C[N@H+](CC(N)=O)C[C@H]32)n1 ZINC001076137654 775718640 /nfs/dbraw/zinc/71/86/40/775718640.db2.gz AMJAFAUJAHYNCL-JGVFFNPUSA-N 1 2 279.304 -2.158 20 0 CAADLO Cn1nnc(C(=O)N2CC[C@H]3C[N@@H+](CC(N)=O)C[C@H]32)n1 ZINC001076137654 775718645 /nfs/dbraw/zinc/71/86/45/775718645.db2.gz AMJAFAUJAHYNCL-JGVFFNPUSA-N 1 2 279.304 -2.158 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1C[C@@H]2CCN(C(=O)c3nnn(C)n3)[C@@H]2C1 ZINC001076138459 775719357 /nfs/dbraw/zinc/71/93/57/775719357.db2.gz ZVNXSEPLRIRDCE-HRDYMLBCSA-N 1 2 293.331 -1.770 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1C[C@@H]2CCN(C(=O)c3nnn(C)n3)[C@@H]2C1 ZINC001076138459 775719367 /nfs/dbraw/zinc/71/93/67/775719367.db2.gz ZVNXSEPLRIRDCE-HRDYMLBCSA-N 1 2 293.331 -1.770 20 0 CAADLO NC(=O)C(=O)N1CC[C@H]2C[N@H+](CC(=O)NC3CC3)C[C@H]21 ZINC001076198964 775722049 /nfs/dbraw/zinc/72/20/49/775722049.db2.gz WCCOKUWSCRNBIU-WCBMZHEXSA-N 1 2 280.328 -1.717 20 0 CAADLO NC(=O)C(=O)N1CC[C@H]2C[N@@H+](CC(=O)NC3CC3)C[C@H]21 ZINC001076198964 775722059 /nfs/dbraw/zinc/72/20/59/775722059.db2.gz WCCOKUWSCRNBIU-WCBMZHEXSA-N 1 2 280.328 -1.717 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1C[C@@H]2CCN(C(=O)C(N)=O)[C@@H]2C1 ZINC001076198748 775722378 /nfs/dbraw/zinc/72/23/78/775722378.db2.gz KZFHGOANVPCPAC-BIIVOSGPSA-N 1 2 254.290 -2.122 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1C[C@@H]2CCN(C(=O)C(N)=O)[C@@H]2C1 ZINC001076198748 775722383 /nfs/dbraw/zinc/72/23/83/775722383.db2.gz KZFHGOANVPCPAC-BIIVOSGPSA-N 1 2 254.290 -2.122 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1C[C@@H]2CCN(C(=O)C(N)=O)[C@@H]2C1 ZINC001076198749 775722458 /nfs/dbraw/zinc/72/24/58/775722458.db2.gz KZFHGOANVPCPAC-GJMOJQLCSA-N 1 2 254.290 -2.122 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1C[C@@H]2CCN(C(=O)C(N)=O)[C@@H]2C1 ZINC001076198749 775722462 /nfs/dbraw/zinc/72/24/62/775722462.db2.gz KZFHGOANVPCPAC-GJMOJQLCSA-N 1 2 254.290 -2.122 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)c2cn[nH]c(=O)c2)[C@@H](O)C1 ZINC001083546748 775725715 /nfs/dbraw/zinc/72/57/15/775725715.db2.gz CSJDORGRQQYKCS-ZQARSLAVSA-N 1 2 295.299 -2.169 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)c2cn[nH]c(=O)c2)[C@@H](O)C1 ZINC001083546748 775725720 /nfs/dbraw/zinc/72/57/20/775725720.db2.gz CSJDORGRQQYKCS-ZQARSLAVSA-N 1 2 295.299 -2.169 20 0 CAADLO CNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)c3nc[nH]n3)[C@@H]2C1 ZINC001076374548 775726211 /nfs/dbraw/zinc/72/62/11/775726211.db2.gz RWHFOHRZCSLXPJ-DTWKUNHWSA-N 1 2 278.316 -1.303 20 0 CAADLO CNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)c3nc[nH]n3)[C@@H]2C1 ZINC001076374548 775726224 /nfs/dbraw/zinc/72/62/24/775726224.db2.gz RWHFOHRZCSLXPJ-DTWKUNHWSA-N 1 2 278.316 -1.303 20 0 CAADLO C[C@@H](CCNC(=O)CCc1[nH]cc[nH+]1)NC(=O)C(N)=O ZINC001076320022 775727226 /nfs/dbraw/zinc/72/72/26/775727226.db2.gz TWBTZXZSSOETCW-QMMMGPOBSA-N 1 2 281.316 -1.161 20 0 CAADLO CCC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCO[C@H](C)C2)C[C@H]1O ZINC001076654646 775734852 /nfs/dbraw/zinc/73/48/52/775734852.db2.gz XHGRAXNOWPBWNI-IJLUTSLNSA-N 1 2 299.371 -1.195 20 0 CAADLO CCC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCO[C@H](C)C2)C[C@H]1O ZINC001076654646 775734859 /nfs/dbraw/zinc/73/48/59/775734859.db2.gz XHGRAXNOWPBWNI-IJLUTSLNSA-N 1 2 299.371 -1.195 20 0 CAADLO CCC(=O)N[C@@H]1C[N@@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1O ZINC001076653697 775735511 /nfs/dbraw/zinc/73/55/11/775735511.db2.gz YAFRLFVCLPXNCN-HRDYMLBCSA-N 1 2 269.301 -1.637 20 0 CAADLO CCC(=O)N[C@@H]1C[N@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1O ZINC001076653697 775735516 /nfs/dbraw/zinc/73/55/16/775735516.db2.gz YAFRLFVCLPXNCN-HRDYMLBCSA-N 1 2 269.301 -1.637 20 0 CAADLO CCC(=O)N[C@@H]1C[N@@H+]([C@H]2CCN(C)C2=O)C[C@H]1O ZINC001076653754 775735870 /nfs/dbraw/zinc/73/58/70/775735870.db2.gz AKFQOUUNNBETMM-KXUCPTDWSA-N 1 2 255.318 -1.212 20 0 CAADLO CCC(=O)N[C@@H]1C[N@H+]([C@H]2CCN(C)C2=O)C[C@H]1O ZINC001076653754 775735877 /nfs/dbraw/zinc/73/58/77/775735877.db2.gz AKFQOUUNNBETMM-KXUCPTDWSA-N 1 2 255.318 -1.212 20 0 CAADLO CCC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1O ZINC001076653698 775735980 /nfs/dbraw/zinc/73/59/80/775735980.db2.gz YAFRLFVCLPXNCN-IWSPIJDZSA-N 1 2 269.301 -1.637 20 0 CAADLO CCC(=O)N[C@@H]1C[N@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1O ZINC001076653698 775735986 /nfs/dbraw/zinc/73/59/86/775735986.db2.gz YAFRLFVCLPXNCN-IWSPIJDZSA-N 1 2 269.301 -1.637 20 0 CAADLO CC[C@@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2CC2)C1 ZINC001076662751 775736013 /nfs/dbraw/zinc/73/60/13/775736013.db2.gz VPVZLGGMDXLRTR-KXUCPTDWSA-N 1 2 255.318 -1.178 20 0 CAADLO CC[C@@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)C2CC2)C1 ZINC001076662751 775736018 /nfs/dbraw/zinc/73/60/18/775736018.db2.gz VPVZLGGMDXLRTR-KXUCPTDWSA-N 1 2 255.318 -1.178 20 0 CAADLO CC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCO[C@H](C)C2)C[C@H]1O ZINC001076656736 775736276 /nfs/dbraw/zinc/73/62/76/775736276.db2.gz FVQCYNGDQPHDBM-YUSALJHKSA-N 1 2 285.344 -1.585 20 0 CAADLO CC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCO[C@H](C)C2)C[C@H]1O ZINC001076656736 775736283 /nfs/dbraw/zinc/73/62/83/775736283.db2.gz FVQCYNGDQPHDBM-YUSALJHKSA-N 1 2 285.344 -1.585 20 0 CAADLO CCN1CC[C@@H]([N@@H+]2C[C@@H](O)[C@H](NC(C)=O)C2)C1=O ZINC001076656878 775736648 /nfs/dbraw/zinc/73/66/48/775736648.db2.gz LNEXOYQYXGKSPB-GMTAPVOTSA-N 1 2 255.318 -1.212 20 0 CAADLO CCN1CC[C@@H]([N@H+]2C[C@@H](O)[C@H](NC(C)=O)C2)C1=O ZINC001076656878 775736652 /nfs/dbraw/zinc/73/66/52/775736652.db2.gz LNEXOYQYXGKSPB-GMTAPVOTSA-N 1 2 255.318 -1.212 20 0 CAADLO CC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1O ZINC001076656910 775737011 /nfs/dbraw/zinc/73/70/11/775737011.db2.gz MWRXVSRPWBGRKK-IWSPIJDZSA-N 1 2 255.274 -2.027 20 0 CAADLO CC(=O)N[C@@H]1C[N@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1O ZINC001076656910 775737018 /nfs/dbraw/zinc/73/70/18/775737018.db2.gz MWRXVSRPWBGRKK-IWSPIJDZSA-N 1 2 255.274 -2.027 20 0 CAADLO CCN1CC[C@H]([N@@H+]2C[C@@H](O)[C@H](NC(C)=O)C2)C1=O ZINC001076656879 775737241 /nfs/dbraw/zinc/73/72/41/775737241.db2.gz LNEXOYQYXGKSPB-OUAUKWLOSA-N 1 2 255.318 -1.212 20 0 CAADLO CCN1CC[C@H]([N@H+]2C[C@@H](O)[C@H](NC(C)=O)C2)C1=O ZINC001076656879 775737244 /nfs/dbraw/zinc/73/72/44/775737244.db2.gz LNEXOYQYXGKSPB-OUAUKWLOSA-N 1 2 255.318 -1.212 20 0 CAADLO CCC(=O)N[C@@H]1C[N@H+](C[C@H]2CCS(=O)(=O)C2)C[C@H]1O ZINC001076653529 775737253 /nfs/dbraw/zinc/73/72/53/775737253.db2.gz QXAMTFYXVUWGOZ-GMTAPVOTSA-N 1 2 290.385 -1.008 20 0 CAADLO CCC(=O)N[C@@H]1C[N@@H+](C[C@H]2CCS(=O)(=O)C2)C[C@H]1O ZINC001076653529 775737257 /nfs/dbraw/zinc/73/72/57/775737257.db2.gz QXAMTFYXVUWGOZ-GMTAPVOTSA-N 1 2 290.385 -1.008 20 0 CAADLO O=C(N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1O)C(F)F ZINC001076659667 775738556 /nfs/dbraw/zinc/73/85/56/775738556.db2.gz DEEBOSXGOCJJKD-HTQZYQBOSA-N 1 2 292.286 -1.562 20 0 CAADLO O=C(N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1O)C(F)F ZINC001076659667 775738560 /nfs/dbraw/zinc/73/85/60/775738560.db2.gz DEEBOSXGOCJJKD-HTQZYQBOSA-N 1 2 292.286 -1.562 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2CCOCC2)C1 ZINC001076670278 775739080 /nfs/dbraw/zinc/73/90/80/775739080.db2.gz BUESJLVGCKIEQX-JMJZKYOTSA-N 1 2 285.344 -1.552 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)C2CCOCC2)C1 ZINC001076670278 775739086 /nfs/dbraw/zinc/73/90/86/775739086.db2.gz BUESJLVGCKIEQX-JMJZKYOTSA-N 1 2 285.344 -1.552 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cccnc2)C1 ZINC001076685450 775741170 /nfs/dbraw/zinc/74/11/70/775741170.db2.gz GKKASEGYEPFAEL-YUSALJHKSA-N 1 2 292.339 -1.009 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cccnc2)C1 ZINC001076685450 775741179 /nfs/dbraw/zinc/74/11/79/775741179.db2.gz GKKASEGYEPFAEL-YUSALJHKSA-N 1 2 292.339 -1.009 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC2CC2)C1 ZINC001076672342 775741564 /nfs/dbraw/zinc/74/15/64/775741564.db2.gz OUWSYGATPAWPDA-SZEHBUNVSA-N 1 2 255.318 -1.178 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)CC2CC2)C1 ZINC001076672342 775741573 /nfs/dbraw/zinc/74/15/73/775741573.db2.gz OUWSYGATPAWPDA-SZEHBUNVSA-N 1 2 255.318 -1.178 20 0 CAADLO O=C(N[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@H]1O)C1=COCCO1 ZINC001076701890 775742057 /nfs/dbraw/zinc/74/20/57/775742057.db2.gz WBIMLEZKSSCVEO-KXUCPTDWSA-N 1 2 297.311 -2.076 20 0 CAADLO O=C(N[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@H]1O)C1=COCCO1 ZINC001076701890 775742066 /nfs/dbraw/zinc/74/20/66/775742066.db2.gz WBIMLEZKSSCVEO-KXUCPTDWSA-N 1 2 297.311 -2.076 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cnnn2)C1 ZINC001076723323 775744005 /nfs/dbraw/zinc/74/40/05/775744005.db2.gz WEHRBXIIJKRPQA-XLPZGREQSA-N 1 2 283.292 -3.292 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cnnn2)C1 ZINC001076723323 775744016 /nfs/dbraw/zinc/74/40/16/775744016.db2.gz WEHRBXIIJKRPQA-XLPZGREQSA-N 1 2 283.292 -3.292 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CN2CCCC2=O)C1 ZINC001076728360 775744101 /nfs/dbraw/zinc/74/41/01/775744101.db2.gz IKLWBEXMZQQDHV-IVZWLZJFSA-N 1 2 298.343 -2.356 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)CN2CCCC2=O)C1 ZINC001076728360 775744112 /nfs/dbraw/zinc/74/41/12/775744112.db2.gz IKLWBEXMZQQDHV-IVZWLZJFSA-N 1 2 298.343 -2.356 20 0 CAADLO O=C(Cn1cnnn1)N[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@H]1O ZINC001076723853 775745170 /nfs/dbraw/zinc/74/51/70/775745170.db2.gz BQRNABQVKNGIOA-IWSPIJDZSA-N 1 2 295.303 -3.277 20 0 CAADLO O=C(Cn1cnnn1)N[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@H]1O ZINC001076723853 775745175 /nfs/dbraw/zinc/74/51/75/775745175.db2.gz BQRNABQVKNGIOA-IWSPIJDZSA-N 1 2 295.303 -3.277 20 0 CAADLO CC[C@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cnnn2)C1 ZINC001076722076 775745184 /nfs/dbraw/zinc/74/51/84/775745184.db2.gz POKHBZLLABGOFK-IWSPIJDZSA-N 1 2 297.319 -2.902 20 0 CAADLO CC[C@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cnnn2)C1 ZINC001076722076 775745186 /nfs/dbraw/zinc/74/51/86/775745186.db2.gz POKHBZLLABGOFK-IWSPIJDZSA-N 1 2 297.319 -2.902 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cnnn2)C1 ZINC001076724055 775745458 /nfs/dbraw/zinc/74/54/58/775745458.db2.gz HKSHPKKGZVMWNE-DJLDLDEBSA-N 1 2 297.319 -3.031 20 0 CAADLO CNC(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cnnn2)C1 ZINC001076724055 775745462 /nfs/dbraw/zinc/74/54/62/775745462.db2.gz HKSHPKKGZVMWNE-DJLDLDEBSA-N 1 2 297.319 -3.031 20 0 CAADLO O=C(Cn1cnnn1)N[C@@H]1C[N@@H+](CCF)C[C@H]1O ZINC001076724039 775745492 /nfs/dbraw/zinc/74/54/92/775745492.db2.gz HFBMEXQUVNGDBA-HTQZYQBOSA-N 1 2 258.257 -2.196 20 0 CAADLO O=C(Cn1cnnn1)N[C@@H]1C[N@H+](CCF)C[C@H]1O ZINC001076724039 775745500 /nfs/dbraw/zinc/74/55/00/775745500.db2.gz HFBMEXQUVNGDBA-HTQZYQBOSA-N 1 2 258.257 -2.196 20 0 CAADLO O=C(Cn1cccn1)N[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@H]1O ZINC001076746498 775746632 /nfs/dbraw/zinc/74/66/32/775746632.db2.gz DGHATHKOZNOPOF-OUAUKWLOSA-N 1 2 293.327 -2.067 20 0 CAADLO O=C(Cn1cccn1)N[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@H]1O ZINC001076746498 775746642 /nfs/dbraw/zinc/74/66/42/775746642.db2.gz DGHATHKOZNOPOF-OUAUKWLOSA-N 1 2 293.327 -2.067 20 0 CAADLO Cc1nnsc1C(=O)N[C@@H]1C[N@H+](CCO)C[C@H]1O ZINC001076730276 775747631 /nfs/dbraw/zinc/74/76/31/775747631.db2.gz ISXQJLKKXGAHFO-HTQZYQBOSA-N 1 2 272.330 -1.386 20 0 CAADLO Cc1nnsc1C(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1O ZINC001076730276 775747638 /nfs/dbraw/zinc/74/76/38/775747638.db2.gz ISXQJLKKXGAHFO-HTQZYQBOSA-N 1 2 272.330 -1.386 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc[nH]2)C1 ZINC001076737568 775747976 /nfs/dbraw/zinc/74/79/76/775747976.db2.gz PPQIIRSWBYIFGT-FBIMIBRVSA-N 1 2 280.328 -1.076 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc[nH]2)C1 ZINC001076737568 775747984 /nfs/dbraw/zinc/74/79/84/775747984.db2.gz PPQIIRSWBYIFGT-FBIMIBRVSA-N 1 2 280.328 -1.076 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cccn2)C1 ZINC001076742903 775748069 /nfs/dbraw/zinc/74/80/69/775748069.db2.gz IIUNPLKQKQFURX-OPRDCNLKSA-N 1 2 281.316 -2.082 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cccn2)C1 ZINC001076742903 775748074 /nfs/dbraw/zinc/74/80/74/775748074.db2.gz IIUNPLKQKQFURX-OPRDCNLKSA-N 1 2 281.316 -2.082 20 0 CAADLO CN(C)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cccn2C)C1 ZINC001076751095 775749549 /nfs/dbraw/zinc/74/95/49/775749549.db2.gz WLXJRPBVYUJYMH-ZYHUDNBSSA-N 1 2 294.355 -1.112 20 0 CAADLO CN(C)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cccn2C)C1 ZINC001076751095 775749553 /nfs/dbraw/zinc/74/95/53/775749553.db2.gz WLXJRPBVYUJYMH-ZYHUDNBSSA-N 1 2 294.355 -1.112 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccn[nH]2)C1 ZINC001076765556 775750301 /nfs/dbraw/zinc/75/03/01/775750301.db2.gz IAHOTZACNRGUEC-FXBDTBDDSA-N 1 2 281.316 -1.681 20 0 CAADLO CNC(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccn[nH]2)C1 ZINC001076765556 775750304 /nfs/dbraw/zinc/75/03/04/775750304.db2.gz IAHOTZACNRGUEC-FXBDTBDDSA-N 1 2 281.316 -1.681 20 0 CAADLO CN1CC[C@@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)c3cn[nH]c3)C2)C1=O ZINC001076772115 775751982 /nfs/dbraw/zinc/75/19/82/775751982.db2.gz QKJBOIQURABERV-GMTAPVOTSA-N 1 2 293.327 -1.585 20 0 CAADLO CN1CC[C@@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)c3cn[nH]c3)C2)C1=O ZINC001076772115 775751985 /nfs/dbraw/zinc/75/19/85/775751985.db2.gz QKJBOIQURABERV-GMTAPVOTSA-N 1 2 293.327 -1.585 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cn[nH]c2)C1 ZINC001076771973 775752390 /nfs/dbraw/zinc/75/23/90/775752390.db2.gz JHLTUHMNTGYMFT-FXBDTBDDSA-N 1 2 281.316 -1.681 20 0 CAADLO CNC(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cn[nH]c2)C1 ZINC001076771973 775752398 /nfs/dbraw/zinc/75/23/98/775752398.db2.gz JHLTUHMNTGYMFT-FXBDTBDDSA-N 1 2 281.316 -1.681 20 0 CAADLO C[C@@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnns2)C1 ZINC001076776652 775752490 /nfs/dbraw/zinc/75/24/90/775752490.db2.gz OEVIBTFUTVCFNG-BWZBUEFSSA-N 1 2 272.330 -1.306 20 0 CAADLO C[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnns2)C1 ZINC001076776652 775752502 /nfs/dbraw/zinc/75/25/02/775752502.db2.gz OEVIBTFUTVCFNG-BWZBUEFSSA-N 1 2 272.330 -1.306 20 0 CAADLO O=C(N[C@@H]1C[N@H+](CCCO)C[C@H]1O)c1cnns1 ZINC001076774073 775753585 /nfs/dbraw/zinc/75/35/85/775753585.db2.gz BMAWXOUBIJASCJ-HTQZYQBOSA-N 1 2 272.330 -1.305 20 0 CAADLO O=C(N[C@@H]1C[N@@H+](CCCO)C[C@H]1O)c1cnns1 ZINC001076774073 775753589 /nfs/dbraw/zinc/75/35/89/775753589.db2.gz BMAWXOUBIJASCJ-HTQZYQBOSA-N 1 2 272.330 -1.305 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C)n[nH]2)C1 ZINC001076782691 775753854 /nfs/dbraw/zinc/75/38/54/775753854.db2.gz XCEPYJSVTRFALG-FBIMIBRVSA-N 1 2 295.343 -1.372 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C)n[nH]2)C1 ZINC001076782691 775753865 /nfs/dbraw/zinc/75/38/65/775753865.db2.gz XCEPYJSVTRFALG-FBIMIBRVSA-N 1 2 295.343 -1.372 20 0 CAADLO COCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnns2)C1 ZINC001076775309 775753912 /nfs/dbraw/zinc/75/39/12/775753912.db2.gz FCWGZDNWYPBXGZ-HTQZYQBOSA-N 1 2 272.330 -1.041 20 0 CAADLO COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnns2)C1 ZINC001076775309 775753922 /nfs/dbraw/zinc/75/39/22/775753922.db2.gz FCWGZDNWYPBXGZ-HTQZYQBOSA-N 1 2 272.330 -1.041 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccnn2C)C1 ZINC001076796232 775755526 /nfs/dbraw/zinc/75/55/26/775755526.db2.gz DYOZWDBLJRGVMP-IQJOONFLSA-N 1 2 295.343 -1.671 20 0 CAADLO CNC(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccnn2C)C1 ZINC001076796232 775755536 /nfs/dbraw/zinc/75/55/36/775755536.db2.gz DYOZWDBLJRGVMP-IQJOONFLSA-N 1 2 295.343 -1.671 20 0 CAADLO CN(C)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCOC2)C1 ZINC001076794322 775756308 /nfs/dbraw/zinc/75/63/08/775756308.db2.gz YBIFWFIBPJWFSX-QJPTWQEYSA-N 1 2 299.371 -1.338 20 0 CAADLO CN(C)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCOC2)C1 ZINC001076794322 775756320 /nfs/dbraw/zinc/75/63/20/775756320.db2.gz YBIFWFIBPJWFSX-QJPTWQEYSA-N 1 2 299.371 -1.338 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cc[nH]n2)C1 ZINC001076828928 775760468 /nfs/dbraw/zinc/76/04/68/775760468.db2.gz SIILVPXIRBSYHC-SZEHBUNVSA-N 1 2 281.316 -2.013 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cc[nH]n2)C1 ZINC001076828928 775760477 /nfs/dbraw/zinc/76/04/77/775760477.db2.gz SIILVPXIRBSYHC-SZEHBUNVSA-N 1 2 281.316 -2.013 20 0 CAADLO O=C(Cc1cc[nH]n1)N[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@H]1O ZINC001076829135 775760709 /nfs/dbraw/zinc/76/07/09/775760709.db2.gz XNJPCTZSMZFBTA-OUAUKWLOSA-N 1 2 293.327 -1.998 20 0 CAADLO O=C(Cc1cc[nH]n1)N[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@H]1O ZINC001076829135 775760713 /nfs/dbraw/zinc/76/07/13/775760713.db2.gz XNJPCTZSMZFBTA-OUAUKWLOSA-N 1 2 293.327 -1.998 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2ccon2)C1 ZINC001076821531 775761280 /nfs/dbraw/zinc/76/12/80/775761280.db2.gz PFVIXMJLPOKKPD-JMJZKYOTSA-N 1 2 296.327 -1.487 20 0 CAADLO CNC(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2ccon2)C1 ZINC001076821531 775761285 /nfs/dbraw/zinc/76/12/85/775761285.db2.gz PFVIXMJLPOKKPD-JMJZKYOTSA-N 1 2 296.327 -1.487 20 0 CAADLO CN(C)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cc[nH]n2)C1 ZINC001076828447 775761346 /nfs/dbraw/zinc/76/13/46/775761346.db2.gz FEQSWRCWPBHUQG-GHMZBOCLSA-N 1 2 295.343 -1.798 20 0 CAADLO CN(C)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cc[nH]n2)C1 ZINC001076828447 775761356 /nfs/dbraw/zinc/76/13/56/775761356.db2.gz FEQSWRCWPBHUQG-GHMZBOCLSA-N 1 2 295.343 -1.798 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2CC=CC2)C1 ZINC001076825969 775761731 /nfs/dbraw/zinc/76/17/31/775761731.db2.gz YWVFQOUPONNLSC-FBIMIBRVSA-N 1 2 267.329 -1.012 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)C2CC=CC2)C1 ZINC001076825969 775761738 /nfs/dbraw/zinc/76/17/38/775761738.db2.gz YWVFQOUPONNLSC-FBIMIBRVSA-N 1 2 267.329 -1.012 20 0 CAADLO O=C(Cc1ccon1)N[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@H]1O ZINC001076819976 775765577 /nfs/dbraw/zinc/76/55/77/775765577.db2.gz IEFOWNCPTMHLNE-GMTAPVOTSA-N 1 2 294.311 -1.733 20 0 CAADLO O=C(Cc1ccon1)N[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@H]1O ZINC001076819976 775765589 /nfs/dbraw/zinc/76/55/89/775765589.db2.gz IEFOWNCPTMHLNE-GMTAPVOTSA-N 1 2 294.311 -1.733 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc[nH]c(=O)c2)C1 ZINC001076861609 775766294 /nfs/dbraw/zinc/76/62/94/775766294.db2.gz DIIQZUXZQNOSLZ-SZEHBUNVSA-N 1 2 294.311 -1.564 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc[nH]c(=O)c2)C1 ZINC001076861609 775766306 /nfs/dbraw/zinc/76/63/06/775766306.db2.gz DIIQZUXZQNOSLZ-SZEHBUNVSA-N 1 2 294.311 -1.564 20 0 CAADLO Cc1[nH]ccc1C(=O)N[C@@H]1C[N@H+]([C@@H](C)C(N)=O)C[C@H]1O ZINC001076860801 775766955 /nfs/dbraw/zinc/76/69/55/775766955.db2.gz SRYBQMRWZDKLHM-JMJZKYOTSA-N 1 2 280.328 -1.028 20 0 CAADLO Cc1[nH]ccc1C(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(N)=O)C[C@H]1O ZINC001076860801 775766959 /nfs/dbraw/zinc/76/69/59/775766959.db2.gz SRYBQMRWZDKLHM-JMJZKYOTSA-N 1 2 280.328 -1.028 20 0 CAADLO Cc1[nH]ccc1C(=O)N[C@@H]1C[N@H+]([C@H](C)C(N)=O)C[C@H]1O ZINC001076860800 775766972 /nfs/dbraw/zinc/76/69/72/775766972.db2.gz SRYBQMRWZDKLHM-FBIMIBRVSA-N 1 2 280.328 -1.028 20 0 CAADLO Cc1[nH]ccc1C(=O)N[C@@H]1C[N@@H+]([C@H](C)C(N)=O)C[C@H]1O ZINC001076860800 775766976 /nfs/dbraw/zinc/76/69/76/775766976.db2.gz SRYBQMRWZDKLHM-FBIMIBRVSA-N 1 2 280.328 -1.028 20 0 CAADLO O=C(N[C@@H]1C[N@H+](CCF)C[C@@H]1O)c1cnc[nH]c1=O ZINC001083555329 775767277 /nfs/dbraw/zinc/76/72/77/775767277.db2.gz XLFRIPMFXKHXQQ-BDAKNGLRSA-N 1 2 270.264 -1.073 20 0 CAADLO Cc1[nH]ccc1C(=O)N[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@H]1O ZINC001076860607 775767226 /nfs/dbraw/zinc/76/72/26/775767226.db2.gz ISDPSKICRXFJNJ-GRYCIOLGSA-N 1 2 292.339 -1.013 20 0 CAADLO Cc1[nH]ccc1C(=O)N[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@H]1O ZINC001076860607 775767231 /nfs/dbraw/zinc/76/72/31/775767231.db2.gz ISDPSKICRXFJNJ-GRYCIOLGSA-N 1 2 292.339 -1.013 20 0 CAADLO O=C(N[C@@H]1C[N@@H+](CCF)C[C@@H]1O)c1cnc[nH]c1=O ZINC001083555329 775767273 /nfs/dbraw/zinc/76/72/73/775767273.db2.gz XLFRIPMFXKHXQQ-BDAKNGLRSA-N 1 2 270.264 -1.073 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc[nH]c(=O)c2)C1 ZINC001076861608 775767728 /nfs/dbraw/zinc/76/77/28/775767728.db2.gz DIIQZUXZQNOSLZ-FXBDTBDDSA-N 1 2 294.311 -1.564 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc[nH]c(=O)c2)C1 ZINC001076861608 775767738 /nfs/dbraw/zinc/76/77/38/775767738.db2.gz DIIQZUXZQNOSLZ-FXBDTBDDSA-N 1 2 294.311 -1.564 20 0 CAADLO O=C(CN1CN=NC1=O)N[C@@H]1C[N@@H+](CCF)C[C@H]1O ZINC001076909443 775772245 /nfs/dbraw/zinc/77/22/45/775772245.db2.gz BXPVDYGYAHSPQU-HTQZYQBOSA-N 1 2 273.268 -1.886 20 0 CAADLO O=C(CN1CN=NC1=O)N[C@@H]1C[N@H+](CCF)C[C@H]1O ZINC001076909443 775772255 /nfs/dbraw/zinc/77/22/55/775772255.db2.gz BXPVDYGYAHSPQU-HTQZYQBOSA-N 1 2 273.268 -1.886 20 0 CAADLO O=C(Cc1ccoc1)N[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@H]1O ZINC001076920313 775775456 /nfs/dbraw/zinc/77/54/56/775775456.db2.gz BQUUMVZLTUEKRK-IJLUTSLNSA-N 1 2 293.323 -1.128 20 0 CAADLO O=C(Cc1ccoc1)N[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@H]1O ZINC001076920313 775775462 /nfs/dbraw/zinc/77/54/62/775775462.db2.gz BQUUMVZLTUEKRK-IJLUTSLNSA-N 1 2 293.323 -1.128 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2=CCOCC2)C1 ZINC001076920679 775775579 /nfs/dbraw/zinc/77/55/79/775775579.db2.gz TZTCNHGOHAGUQN-MVWJERBFSA-N 1 2 297.355 -1.371 20 0 CAADLO CNC(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)C2=CCOCC2)C1 ZINC001076920679 775775585 /nfs/dbraw/zinc/77/55/85/775775585.db2.gz TZTCNHGOHAGUQN-MVWJERBFSA-N 1 2 297.355 -1.371 20 0 CAADLO O=C(N[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@H]1O)C1=CCOCC1 ZINC001076920574 775775907 /nfs/dbraw/zinc/77/59/07/775775907.db2.gz ODWWKJQNHQXIKI-IJLUTSLNSA-N 1 2 295.339 -1.617 20 0 CAADLO O=C(N[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@H]1O)C1=CCOCC1 ZINC001076920574 775775910 /nfs/dbraw/zinc/77/59/10/775775910.db2.gz ODWWKJQNHQXIKI-IJLUTSLNSA-N 1 2 295.339 -1.617 20 0 CAADLO O=C(N[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@H]1O)C1=CCOCC1 ZINC001076920573 775776314 /nfs/dbraw/zinc/77/63/14/775776314.db2.gz ODWWKJQNHQXIKI-GRYCIOLGSA-N 1 2 295.339 -1.617 20 0 CAADLO O=C(N[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@H]1O)C1=CCOCC1 ZINC001076920573 775776322 /nfs/dbraw/zinc/77/63/22/775776322.db2.gz ODWWKJQNHQXIKI-GRYCIOLGSA-N 1 2 295.339 -1.617 20 0 CAADLO CC[C@@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2=CCOCC2)C1 ZINC001076917940 775776661 /nfs/dbraw/zinc/77/66/61/775776661.db2.gz FNBGBEATCNCKSO-GRYCIOLGSA-N 1 2 297.355 -1.242 20 0 CAADLO CC[C@@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)C2=CCOCC2)C1 ZINC001076917940 775776667 /nfs/dbraw/zinc/77/66/67/775776667.db2.gz FNBGBEATCNCKSO-GRYCIOLGSA-N 1 2 297.355 -1.242 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2=CCOCC2)C1 ZINC001076918014 775776713 /nfs/dbraw/zinc/77/67/13/775776713.db2.gz HWULEMNOWYMFQU-FBIMIBRVSA-N 1 2 283.328 -1.632 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)C2=CCOCC2)C1 ZINC001076918014 775776718 /nfs/dbraw/zinc/77/67/18/775776718.db2.gz HWULEMNOWYMFQU-FBIMIBRVSA-N 1 2 283.328 -1.632 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cncnc2)C1 ZINC001076938351 775778313 /nfs/dbraw/zinc/77/83/13/775778313.db2.gz YSMNJXXWOQWMPX-JMJZKYOTSA-N 1 2 293.327 -1.946 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cncnc2)C1 ZINC001076938351 775778320 /nfs/dbraw/zinc/77/83/20/775778320.db2.gz YSMNJXXWOQWMPX-JMJZKYOTSA-N 1 2 293.327 -1.946 20 0 CAADLO CN1CC[C@@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)c3ncc[nH]3)C2)C1=O ZINC001076971424 775782226 /nfs/dbraw/zinc/78/22/26/775782226.db2.gz CYPRVWKGOWICOF-OPRDCNLKSA-N 1 2 293.327 -1.585 20 0 CAADLO CN1CC[C@@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)c3ncc[nH]3)C2)C1=O ZINC001076971424 775782231 /nfs/dbraw/zinc/78/22/31/775782231.db2.gz CYPRVWKGOWICOF-OPRDCNLKSA-N 1 2 293.327 -1.585 20 0 CAADLO CN(C)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC2(F)F)C1 ZINC001076967704 775783253 /nfs/dbraw/zinc/78/32/53/775783253.db2.gz XLCXGNDNOKXTHE-DJLDLDEBSA-N 1 2 291.298 -1.109 20 0 CAADLO CN(C)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC2(F)F)C1 ZINC001076967704 775783258 /nfs/dbraw/zinc/78/32/58/775783258.db2.gz XLCXGNDNOKXTHE-DJLDLDEBSA-N 1 2 291.298 -1.109 20 0 CAADLO CC(=O)NCC(=O)N1CCC(OC2C[NH+](CCO)C2)CC1 ZINC001105685169 775783571 /nfs/dbraw/zinc/78/35/71/775783571.db2.gz VSACMMRKDNUHBG-UHFFFAOYSA-N 1 2 299.371 -1.193 20 0 CAADLO Cc1nc(CC(=O)N[C@@H]2C[N@H+](CCO)C[C@H]2O)n[nH]1 ZINC001076978556 775786059 /nfs/dbraw/zinc/78/60/59/775786059.db2.gz SZQXROQRCURLDD-RKDXNWHRSA-N 1 2 269.305 -2.191 20 0 CAADLO Cc1nc(CC(=O)N[C@@H]2C[N@@H+](CCO)C[C@H]2O)n[nH]1 ZINC001076978556 775786069 /nfs/dbraw/zinc/78/60/69/775786069.db2.gz SZQXROQRCURLDD-RKDXNWHRSA-N 1 2 269.305 -2.191 20 0 CAADLO CC[C@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2ncnn2)C1 ZINC001077003836 775786995 /nfs/dbraw/zinc/78/69/95/775786995.db2.gz AVOWKIGXTYDATA-IWSPIJDZSA-N 1 2 297.319 -2.902 20 0 CAADLO CC[C@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2ncnn2)C1 ZINC001077003836 775787001 /nfs/dbraw/zinc/78/70/01/775787001.db2.gz AVOWKIGXTYDATA-IWSPIJDZSA-N 1 2 297.319 -2.902 20 0 CAADLO CC[C@@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2ncnn2)C1 ZINC001077003835 775788225 /nfs/dbraw/zinc/78/82/25/775788225.db2.gz AVOWKIGXTYDATA-HRDYMLBCSA-N 1 2 297.319 -2.902 20 0 CAADLO CC[C@@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2ncnn2)C1 ZINC001077003835 775788227 /nfs/dbraw/zinc/78/82/27/775788227.db2.gz AVOWKIGXTYDATA-HRDYMLBCSA-N 1 2 297.319 -2.902 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2ncnn2)C1 ZINC001077004207 775788532 /nfs/dbraw/zinc/78/85/32/775788532.db2.gz SJMABUIXRYAFAH-DJLDLDEBSA-N 1 2 297.319 -3.031 20 0 CAADLO CNC(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2ncnn2)C1 ZINC001077004207 775788534 /nfs/dbraw/zinc/78/85/34/775788534.db2.gz SJMABUIXRYAFAH-DJLDLDEBSA-N 1 2 297.319 -3.031 20 0 CAADLO O=C(N[C@@H]1C[N@@H+](CCCF)C[C@H]1O)C1CS(=O)(=O)C1 ZINC001077054968 775789614 /nfs/dbraw/zinc/78/96/14/775789614.db2.gz BYWYXSMUBFDRDP-NXEZZACHSA-N 1 2 294.348 -1.448 20 0 CAADLO O=C(N[C@@H]1C[N@H+](CCCF)C[C@H]1O)C1CS(=O)(=O)C1 ZINC001077054968 775789622 /nfs/dbraw/zinc/78/96/22/775789622.db2.gz BYWYXSMUBFDRDP-NXEZZACHSA-N 1 2 294.348 -1.448 20 0 CAADLO CC1(C(=O)N[C@@H]2C[N@@H+]([C@H]3CCC(=O)NC3=O)C[C@H]2O)CC1 ZINC001077037914 775789640 /nfs/dbraw/zinc/78/96/40/775789640.db2.gz JDHDYMILTWGSCG-KXUCPTDWSA-N 1 2 295.339 -1.247 20 0 CAADLO CC1(C(=O)N[C@@H]2C[N@H+]([C@H]3CCC(=O)NC3=O)C[C@H]2O)CC1 ZINC001077037914 775789651 /nfs/dbraw/zinc/78/96/51/775789651.db2.gz JDHDYMILTWGSCG-KXUCPTDWSA-N 1 2 295.339 -1.247 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc[nH]c2)C1 ZINC001077042686 775789796 /nfs/dbraw/zinc/78/97/96/775789796.db2.gz RLSPNZFNNAQMRL-FBIMIBRVSA-N 1 2 280.328 -1.076 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc[nH]c2)C1 ZINC001077042686 775789805 /nfs/dbraw/zinc/78/98/05/775789805.db2.gz RLSPNZFNNAQMRL-FBIMIBRVSA-N 1 2 280.328 -1.076 20 0 CAADLO C[C@@H](CCNC(=O)CCc1c[nH]c[nH+]1)NC(=O)C(N)=O ZINC001077016001 775790012 /nfs/dbraw/zinc/79/00/12/775790012.db2.gz WCHWCRCIMSDBNT-QMMMGPOBSA-N 1 2 281.316 -1.161 20 0 CAADLO C[C@@H](CCNC(=O)CCc1c[nH+]c[nH]1)NC(=O)C(N)=O ZINC001077016001 775790016 /nfs/dbraw/zinc/79/00/16/775790016.db2.gz WCHWCRCIMSDBNT-QMMMGPOBSA-N 1 2 281.316 -1.161 20 0 CAADLO O=C(N[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@H]1O)c1cc[nH]c1 ZINC001077041230 775790047 /nfs/dbraw/zinc/79/00/47/775790047.db2.gz FVMOYYRNKLDFRX-OUAUKWLOSA-N 1 2 278.312 -1.322 20 0 CAADLO O=C(N[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@H]1O)c1cc[nH]c1 ZINC001077041230 775790052 /nfs/dbraw/zinc/79/00/52/775790052.db2.gz FVMOYYRNKLDFRX-OUAUKWLOSA-N 1 2 278.312 -1.322 20 0 CAADLO CC1(C(=O)N[C@@H]2C[N@@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]2O)CC1 ZINC001077037915 775790101 /nfs/dbraw/zinc/79/01/01/775790101.db2.gz JDHDYMILTWGSCG-OPRDCNLKSA-N 1 2 295.339 -1.247 20 0 CAADLO CC1(C(=O)N[C@@H]2C[N@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]2O)CC1 ZINC001077037915 775790104 /nfs/dbraw/zinc/79/01/04/775790104.db2.gz JDHDYMILTWGSCG-OPRDCNLKSA-N 1 2 295.339 -1.247 20 0 CAADLO CC1(C(=O)N[C@@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@H]2O)CC1 ZINC001077036903 775790115 /nfs/dbraw/zinc/79/01/15/775790115.db2.gz OZABMFDPFDUEAM-KXUCPTDWSA-N 1 2 267.329 -1.164 20 0 CAADLO CC1(C(=O)N[C@@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]2O)CC1 ZINC001077036903 775790118 /nfs/dbraw/zinc/79/01/18/775790118.db2.gz OZABMFDPFDUEAM-KXUCPTDWSA-N 1 2 267.329 -1.164 20 0 CAADLO CN(C)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc[nH]c2)C1 ZINC001077041601 775790238 /nfs/dbraw/zinc/79/02/38/775790238.db2.gz YJBNMBMDSPZKNK-GHMZBOCLSA-N 1 2 280.328 -1.122 20 0 CAADLO CN(C)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc[nH]c2)C1 ZINC001077041601 775790244 /nfs/dbraw/zinc/79/02/44/775790244.db2.gz YJBNMBMDSPZKNK-GHMZBOCLSA-N 1 2 280.328 -1.122 20 0 CAADLO CC1(C(=O)N[C@@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@H]2O)CC1 ZINC001077036904 775791180 /nfs/dbraw/zinc/79/11/80/775791180.db2.gz OZABMFDPFDUEAM-OPRDCNLKSA-N 1 2 267.329 -1.164 20 0 CAADLO CC1(C(=O)N[C@@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]2O)CC1 ZINC001077036904 775791187 /nfs/dbraw/zinc/79/11/87/775791187.db2.gz OZABMFDPFDUEAM-OPRDCNLKSA-N 1 2 267.329 -1.164 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2nccn2)C1 ZINC001077063551 775791683 /nfs/dbraw/zinc/79/16/83/775791683.db2.gz SCVOFKVGPRYWCN-IWSPIJDZSA-N 1 2 282.304 -2.687 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2nccn2)C1 ZINC001077063551 775791694 /nfs/dbraw/zinc/79/16/94/775791694.db2.gz SCVOFKVGPRYWCN-IWSPIJDZSA-N 1 2 282.304 -2.687 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2nccn2)C1 ZINC001077063390 775791712 /nfs/dbraw/zinc/79/17/12/775791712.db2.gz KLLTYRPBXPPIIU-IVZWLZJFSA-N 1 2 296.331 -2.426 20 0 CAADLO CNC(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2nccn2)C1 ZINC001077063390 775791719 /nfs/dbraw/zinc/79/17/19/775791719.db2.gz KLLTYRPBXPPIIU-IVZWLZJFSA-N 1 2 296.331 -2.426 20 0 CAADLO O=C(Cn1nccn1)N[C@@H]1C[N@@H+](CCF)C[C@H]1O ZINC001077065673 775792109 /nfs/dbraw/zinc/79/21/09/775792109.db2.gz PRNDLIUKNLFDMG-RKDXNWHRSA-N 1 2 257.269 -1.591 20 0 CAADLO O=C(Cn1nccn1)N[C@@H]1C[N@H+](CCF)C[C@H]1O ZINC001077065673 775792114 /nfs/dbraw/zinc/79/21/14/775792114.db2.gz PRNDLIUKNLFDMG-RKDXNWHRSA-N 1 2 257.269 -1.591 20 0 CAADLO CC[C@@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2nccn2)C1 ZINC001077063169 775792494 /nfs/dbraw/zinc/79/24/94/775792494.db2.gz BFOQGWLRBWFITD-KXUCPTDWSA-N 1 2 296.331 -2.297 20 0 CAADLO CC[C@@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2nccn2)C1 ZINC001077063169 775792499 /nfs/dbraw/zinc/79/24/99/775792499.db2.gz BFOQGWLRBWFITD-KXUCPTDWSA-N 1 2 296.331 -2.297 20 0 CAADLO O=C(Cn1nccn1)N[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@H]1O ZINC001077065649 775792649 /nfs/dbraw/zinc/79/26/49/775792649.db2.gz OMXWTZBAXZHOEI-OPRDCNLKSA-N 1 2 294.315 -2.672 20 0 CAADLO O=C(Cn1nccn1)N[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@H]1O ZINC001077065649 775792652 /nfs/dbraw/zinc/79/26/52/775792652.db2.gz OMXWTZBAXZHOEI-OPRDCNLKSA-N 1 2 294.315 -2.672 20 0 CAADLO O=C(CN1CCOCC1=O)N[C@@H]1C[N@@H+](CCF)C[C@H]1O ZINC001077140821 775797528 /nfs/dbraw/zinc/79/75/28/775797528.db2.gz GOBAMHXZPNLOIR-NXEZZACHSA-N 1 2 289.307 -2.024 20 0 CAADLO O=C(CN1CCOCC1=O)N[C@@H]1C[N@H+](CCF)C[C@H]1O ZINC001077140821 775797534 /nfs/dbraw/zinc/79/75/34/775797534.db2.gz GOBAMHXZPNLOIR-NXEZZACHSA-N 1 2 289.307 -2.024 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cn[nH]c(=O)c2)C1 ZINC001077182744 775801590 /nfs/dbraw/zinc/80/15/90/775801590.db2.gz CSJDORGRQQYKCS-FTLITQJKSA-N 1 2 295.299 -2.169 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cn[nH]c(=O)c2)C1 ZINC001077182744 775801599 /nfs/dbraw/zinc/80/15/99/775801599.db2.gz CSJDORGRQQYKCS-FTLITQJKSA-N 1 2 295.299 -2.169 20 0 CAADLO CN1CC[C@@H](CC(=O)N[C@@H]2C[N@@H+](CCF)C[C@H]2O)C1=O ZINC001077191737 775803289 /nfs/dbraw/zinc/80/32/89/775803289.db2.gz KAYSBEPVDNBGME-HBNTYKKESA-N 1 2 287.335 -1.014 20 0 CAADLO CN1CC[C@@H](CC(=O)N[C@@H]2C[N@H+](CCF)C[C@H]2O)C1=O ZINC001077191737 775803279 /nfs/dbraw/zinc/80/32/79/775803279.db2.gz KAYSBEPVDNBGME-HBNTYKKESA-N 1 2 287.335 -1.014 20 0 CAADLO CN1CC[C@H](CC(=O)N[C@@H]2C[N@H+](CCF)C[C@H]2O)C1=O ZINC001077191736 775803501 /nfs/dbraw/zinc/80/35/01/775803501.db2.gz KAYSBEPVDNBGME-GMTAPVOTSA-N 1 2 287.335 -1.014 20 0 CAADLO CN1CC[C@H](CC(=O)N[C@@H]2C[N@@H+](CCF)C[C@H]2O)C1=O ZINC001077191736 775803512 /nfs/dbraw/zinc/80/35/12/775803512.db2.gz KAYSBEPVDNBGME-GMTAPVOTSA-N 1 2 287.335 -1.014 20 0 CAADLO CN1CC[C@H](C(=O)N[C@@H]2C[N@H+](CCF)C[C@H]2O)CC1=O ZINC001077245122 775805976 /nfs/dbraw/zinc/80/59/76/775805976.db2.gz MPOFBMBIKCNHPM-HBNTYKKESA-N 1 2 287.335 -1.014 20 0 CAADLO CN1CC[C@H](C(=O)N[C@@H]2C[N@@H+](CCF)C[C@H]2O)CC1=O ZINC001077245122 775805981 /nfs/dbraw/zinc/80/59/81/775805981.db2.gz MPOFBMBIKCNHPM-HBNTYKKESA-N 1 2 287.335 -1.014 20 0 CAADLO Cn1cnn(CC(=O)N[C@@H]2C[N@H+](CCF)C[C@H]2O)c1=O ZINC001077264518 775808109 /nfs/dbraw/zinc/80/81/09/775808109.db2.gz YXPGLMIOYBCEJL-RKDXNWHRSA-N 1 2 287.295 -2.287 20 0 CAADLO Cn1cnn(CC(=O)N[C@@H]2C[N@@H+](CCF)C[C@H]2O)c1=O ZINC001077264518 775808116 /nfs/dbraw/zinc/80/81/16/775808116.db2.gz YXPGLMIOYBCEJL-RKDXNWHRSA-N 1 2 287.295 -2.287 20 0 CAADLO O=C(N[C@@H]1C[N@@H+](CCF)C[C@H]1O)[C@@H]1CCC(=O)NC1 ZINC001077279323 775809301 /nfs/dbraw/zinc/80/93/01/775809301.db2.gz HIYKLAVRZIEXDX-OPRDCNLKSA-N 1 2 273.308 -1.357 20 0 CAADLO O=C(N[C@@H]1C[N@H+](CCF)C[C@H]1O)[C@@H]1CCC(=O)NC1 ZINC001077279323 775809308 /nfs/dbraw/zinc/80/93/08/775809308.db2.gz HIYKLAVRZIEXDX-OPRDCNLKSA-N 1 2 273.308 -1.357 20 0 CAADLO COC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn[nH]2)C1 ZINC001077289322 775810774 /nfs/dbraw/zinc/81/07/74/775810774.db2.gz JZXACFUTPKRLGM-SZEHBUNVSA-N 1 2 269.305 -1.386 20 0 CAADLO COC[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn[nH]2)C1 ZINC001077289322 775810786 /nfs/dbraw/zinc/81/07/86/775810786.db2.gz JZXACFUTPKRLGM-SZEHBUNVSA-N 1 2 269.305 -1.386 20 0 CAADLO COC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cn[nH]n2)C1 ZINC001077289322 775810750 /nfs/dbraw/zinc/81/07/50/775810750.db2.gz JZXACFUTPKRLGM-SZEHBUNVSA-N 1 2 269.305 -1.386 20 0 CAADLO COC[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cn[nH]n2)C1 ZINC001077289322 775810764 /nfs/dbraw/zinc/81/07/64/775810764.db2.gz JZXACFUTPKRLGM-SZEHBUNVSA-N 1 2 269.305 -1.386 20 0 CAADLO COCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cn[nH]n2)C1 ZINC001077283869 775811142 /nfs/dbraw/zinc/81/11/42/775811142.db2.gz YVGWBIPUNYPZIQ-RKDXNWHRSA-N 1 2 255.278 -1.774 20 0 CAADLO COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cn[nH]n2)C1 ZINC001077283869 775811148 /nfs/dbraw/zinc/81/11/48/775811148.db2.gz YVGWBIPUNYPZIQ-RKDXNWHRSA-N 1 2 255.278 -1.774 20 0 CAADLO COCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn[nH]2)C1 ZINC001077283869 775811155 /nfs/dbraw/zinc/81/11/55/775811155.db2.gz YVGWBIPUNYPZIQ-RKDXNWHRSA-N 1 2 255.278 -1.774 20 0 CAADLO COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn[nH]2)C1 ZINC001077283869 775811162 /nfs/dbraw/zinc/81/11/62/775811162.db2.gz YVGWBIPUNYPZIQ-RKDXNWHRSA-N 1 2 255.278 -1.774 20 0 CAADLO COC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cn[nH]n2)C1 ZINC001077289321 775811306 /nfs/dbraw/zinc/81/13/06/775811306.db2.gz JZXACFUTPKRLGM-FXBDTBDDSA-N 1 2 269.305 -1.386 20 0 CAADLO COC[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cn[nH]n2)C1 ZINC001077289321 775811313 /nfs/dbraw/zinc/81/13/13/775811313.db2.gz JZXACFUTPKRLGM-FXBDTBDDSA-N 1 2 269.305 -1.386 20 0 CAADLO COC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn[nH]2)C1 ZINC001077289321 775811317 /nfs/dbraw/zinc/81/13/17/775811317.db2.gz JZXACFUTPKRLGM-FXBDTBDDSA-N 1 2 269.305 -1.386 20 0 CAADLO COC[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn[nH]2)C1 ZINC001077289321 775811326 /nfs/dbraw/zinc/81/13/26/775811326.db2.gz JZXACFUTPKRLGM-FXBDTBDDSA-N 1 2 269.305 -1.386 20 0 CAADLO CO[C@@H](C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cn[nH]n2)C1 ZINC001077287250 775811700 /nfs/dbraw/zinc/81/17/00/775811700.db2.gz QQWFFUYMWNGTLL-FXBDTBDDSA-N 1 2 269.305 -1.386 20 0 CAADLO CO[C@@H](C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cn[nH]n2)C1 ZINC001077287250 775811710 /nfs/dbraw/zinc/81/17/10/775811710.db2.gz QQWFFUYMWNGTLL-FXBDTBDDSA-N 1 2 269.305 -1.386 20 0 CAADLO CO[C@@H](C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn[nH]2)C1 ZINC001077287250 775811718 /nfs/dbraw/zinc/81/17/18/775811718.db2.gz QQWFFUYMWNGTLL-FXBDTBDDSA-N 1 2 269.305 -1.386 20 0 CAADLO CO[C@@H](C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn[nH]2)C1 ZINC001077287250 775811724 /nfs/dbraw/zinc/81/17/24/775811724.db2.gz QQWFFUYMWNGTLL-FXBDTBDDSA-N 1 2 269.305 -1.386 20 0 CAADLO O=C(N[C@@H]1C[N@@H+](CCCF)C[C@H]1O)c1cn[nH]n1 ZINC001077286978 775813024 /nfs/dbraw/zinc/81/30/24/775813024.db2.gz BYUORTMAEDYBOA-RKDXNWHRSA-N 1 2 257.269 -1.061 20 0 CAADLO O=C(N[C@@H]1C[N@H+](CCCF)C[C@H]1O)c1cn[nH]n1 ZINC001077286978 775813033 /nfs/dbraw/zinc/81/30/33/775813033.db2.gz BYUORTMAEDYBOA-RKDXNWHRSA-N 1 2 257.269 -1.061 20 0 CAADLO O=C(N[C@@H]1C[N@@H+](CCCF)C[C@H]1O)c1cnn[nH]1 ZINC001077286978 775813038 /nfs/dbraw/zinc/81/30/38/775813038.db2.gz BYUORTMAEDYBOA-RKDXNWHRSA-N 1 2 257.269 -1.061 20 0 CAADLO O=C(N[C@@H]1C[N@H+](CCCF)C[C@H]1O)c1cnn[nH]1 ZINC001077286978 775813044 /nfs/dbraw/zinc/81/30/44/775813044.db2.gz BYUORTMAEDYBOA-RKDXNWHRSA-N 1 2 257.269 -1.061 20 0 CAADLO CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCS(=O)(=O)C2)C1 ZINC001077335136 775818007 /nfs/dbraw/zinc/81/80/07/775818007.db2.gz BBMOJHKWNMSTHG-HBNTYKKESA-N 1 2 290.385 -1.008 20 0 CAADLO CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCS(=O)(=O)C2)C1 ZINC001077335136 775818012 /nfs/dbraw/zinc/81/80/12/775818012.db2.gz BBMOJHKWNMSTHG-HBNTYKKESA-N 1 2 290.385 -1.008 20 0 CAADLO CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CCS(=O)(=O)C2)C1 ZINC001077332289 775818389 /nfs/dbraw/zinc/81/83/89/775818389.db2.gz UMVKYHVERHIPSU-HBNTYKKESA-N 1 2 290.385 -1.008 20 0 CAADLO CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CCS(=O)(=O)C2)C1 ZINC001077332289 775818399 /nfs/dbraw/zinc/81/83/99/775818399.db2.gz UMVKYHVERHIPSU-HBNTYKKESA-N 1 2 290.385 -1.008 20 0 CAADLO Cn1cnn(CC(=O)N[C@@H]2C[N@H+](CCF)C[C@@H]2O)c1=O ZINC001083586025 775826754 /nfs/dbraw/zinc/82/67/54/775826754.db2.gz YXPGLMIOYBCEJL-BDAKNGLRSA-N 1 2 287.295 -2.287 20 0 CAADLO Cn1cnn(CC(=O)N[C@@H]2C[N@@H+](CCF)C[C@@H]2O)c1=O ZINC001083586025 775826762 /nfs/dbraw/zinc/82/67/62/775826762.db2.gz YXPGLMIOYBCEJL-BDAKNGLRSA-N 1 2 287.295 -2.287 20 0 CAADLO O=C(N[C@@H]1C[N@@H+](CCF)C[C@@H]1O)[C@H]1CCC(=O)NC1 ZINC001083593219 775828516 /nfs/dbraw/zinc/82/85/16/775828516.db2.gz HIYKLAVRZIEXDX-AEJSXWLSSA-N 1 2 273.308 -1.357 20 0 CAADLO O=C(N[C@@H]1C[N@H+](CCF)C[C@@H]1O)[C@H]1CCC(=O)NC1 ZINC001083593219 775828524 /nfs/dbraw/zinc/82/85/24/775828524.db2.gz HIYKLAVRZIEXDX-AEJSXWLSSA-N 1 2 273.308 -1.357 20 0 CAADLO COCC[N@@H+]1C[C@@H](NC(=O)c2cn[nH]n2)[C@@H](O)C1 ZINC001083597020 775829493 /nfs/dbraw/zinc/82/94/93/775829493.db2.gz YVGWBIPUNYPZIQ-BDAKNGLRSA-N 1 2 255.278 -1.774 20 0 CAADLO COCC[N@H+]1C[C@@H](NC(=O)c2cnn[nH]2)[C@@H](O)C1 ZINC001083597020 775829499 /nfs/dbraw/zinc/82/94/99/775829499.db2.gz YVGWBIPUNYPZIQ-BDAKNGLRSA-N 1 2 255.278 -1.774 20 0 CAADLO COCC[N@@H+]1C[C@@H](NC(=O)c2cnn[nH]2)[C@@H](O)C1 ZINC001083597020 775829508 /nfs/dbraw/zinc/82/95/08/775829508.db2.gz YVGWBIPUNYPZIQ-BDAKNGLRSA-N 1 2 255.278 -1.774 20 0 CAADLO O=C(N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O)c1cn[nH]n1 ZINC001083596996 775829768 /nfs/dbraw/zinc/82/97/68/775829768.db2.gz XSLVDJFFNCRMHW-BDAKNGLRSA-N 1 2 255.278 -2.038 20 0 CAADLO O=C(N[C@@H]1C[N@H+](CCCO)C[C@@H]1O)c1cnn[nH]1 ZINC001083596996 775829777 /nfs/dbraw/zinc/82/97/77/775829777.db2.gz XSLVDJFFNCRMHW-BDAKNGLRSA-N 1 2 255.278 -2.038 20 0 CAADLO O=C(N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O)c1cnn[nH]1 ZINC001083596996 775829784 /nfs/dbraw/zinc/82/97/84/775829784.db2.gz XSLVDJFFNCRMHW-BDAKNGLRSA-N 1 2 255.278 -2.038 20 0 CAADLO C[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)c2cn[nH]n2)[C@@H](O)C1 ZINC001083598104 775831197 /nfs/dbraw/zinc/83/11/97/775831197.db2.gz FILIQPHZPVBTEQ-VDAHYXPESA-N 1 2 255.278 -2.040 20 0 CAADLO C[C@@H](O)C[N@H+]1C[C@@H](NC(=O)c2cnn[nH]2)[C@@H](O)C1 ZINC001083598104 775831199 /nfs/dbraw/zinc/83/11/99/775831199.db2.gz FILIQPHZPVBTEQ-VDAHYXPESA-N 1 2 255.278 -2.040 20 0 CAADLO C[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)c2cnn[nH]2)[C@@H](O)C1 ZINC001083598104 775831202 /nfs/dbraw/zinc/83/12/02/775831202.db2.gz FILIQPHZPVBTEQ-VDAHYXPESA-N 1 2 255.278 -2.040 20 0 CAADLO CC[C@@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)c2cncn2C)[C@@H](O)C1 ZINC001083610090 775833483 /nfs/dbraw/zinc/83/34/83/775833483.db2.gz DJBKSTZYPSTPNQ-YWVKMMECSA-N 1 2 295.343 -1.541 20 0 CAADLO CC[C@@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)c2cncn2C)[C@@H](O)C1 ZINC001083610090 775833493 /nfs/dbraw/zinc/83/34/93/775833493.db2.gz DJBKSTZYPSTPNQ-YWVKMMECSA-N 1 2 295.343 -1.541 20 0 CAADLO CCc1nnsc1C(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1O ZINC001083615838 775834790 /nfs/dbraw/zinc/83/47/90/775834790.db2.gz KYHHVLYQBOTWHT-BDAKNGLRSA-N 1 2 286.357 -1.132 20 0 CAADLO CCc1nnsc1C(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001083615838 775834799 /nfs/dbraw/zinc/83/47/99/775834799.db2.gz KYHHVLYQBOTWHT-BDAKNGLRSA-N 1 2 286.357 -1.132 20 0 CAADLO COCC(=O)NC[C@H](O)CNc1nc(N(C)C)nc(C)[nH+]1 ZINC001105701247 775834883 /nfs/dbraw/zinc/83/48/83/775834883.db2.gz URDSYCVTLDXWPR-VIFPVBQESA-N 1 2 298.347 -1.219 20 0 CAADLO O=C(NC[C@@H]1CC[N@@H+]1[C@H]1CCNC1=O)c1cn[nH]c(=O)c1 ZINC001038377470 775834966 /nfs/dbraw/zinc/83/49/66/775834966.db2.gz KWTQCGPZBOKCOZ-UWVGGRQHSA-N 1 2 291.311 -1.125 20 0 CAADLO O=C(NC[C@@H]1CC[N@H+]1[C@H]1CCNC1=O)c1cn[nH]c(=O)c1 ZINC001038377470 775834975 /nfs/dbraw/zinc/83/49/75/775834975.db2.gz KWTQCGPZBOKCOZ-UWVGGRQHSA-N 1 2 291.311 -1.125 20 0 CAADLO CC[N@H+]1C[C@@H](NC(=O)C[C@H]2CCS(=O)(=O)C2)[C@@H](O)C1 ZINC001083616573 775835826 /nfs/dbraw/zinc/83/58/26/775835826.db2.gz UMVKYHVERHIPSU-MXWKQRLJSA-N 1 2 290.385 -1.008 20 0 CAADLO CC[N@@H+]1C[C@@H](NC(=O)C[C@H]2CCS(=O)(=O)C2)[C@@H](O)C1 ZINC001083616573 775835833 /nfs/dbraw/zinc/83/58/33/775835833.db2.gz UMVKYHVERHIPSU-MXWKQRLJSA-N 1 2 290.385 -1.008 20 0 CAADLO Cc1nc(NC[C@H](O)CNC(=O)CNC(N)=O)cc[nH+]1 ZINC001105710389 775838074 /nfs/dbraw/zinc/83/80/74/775838074.db2.gz DKAWSXTUNRVJPN-QMMMGPOBSA-N 1 2 282.304 -1.658 20 0 CAADLO Cc1cncn1CC(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1O ZINC001083645225 775842716 /nfs/dbraw/zinc/84/27/16/775842716.db2.gz QLKUOAXUAYJZAQ-MNOVXSKESA-N 1 2 268.317 -1.655 20 0 CAADLO Cc1cncn1CC(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001083645225 775842724 /nfs/dbraw/zinc/84/27/24/775842724.db2.gz QLKUOAXUAYJZAQ-MNOVXSKESA-N 1 2 268.317 -1.655 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CC[C@@H]1CNC(=O)c1cnc[nH]c1=O ZINC001038382423 775842939 /nfs/dbraw/zinc/84/29/39/775842939.db2.gz SPUSRNKDIILSIZ-JGVFFNPUSA-N 1 2 279.300 -1.140 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CC[C@@H]1CNC(=O)c1cnc[nH]c1=O ZINC001038382423 775842946 /nfs/dbraw/zinc/84/29/46/775842946.db2.gz SPUSRNKDIILSIZ-JGVFFNPUSA-N 1 2 279.300 -1.140 20 0 CAADLO NC(=O)C(=O)NCC[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001060233576 775847989 /nfs/dbraw/zinc/84/79/89/775847989.db2.gz YGEDLZUNDMMNCA-VIFPVBQESA-N 1 2 293.327 -1.208 20 0 CAADLO CNS(=O)(=O)CCC(=O)NCC[NH2+]Cc1cnon1 ZINC001127082058 775850663 /nfs/dbraw/zinc/85/06/63/775850663.db2.gz KCQOPGMJNYXQRR-UHFFFAOYSA-N 1 2 291.333 -1.785 20 0 CAADLO CC(=O)NCC(=O)NC[C@@H](O)CNc1cc[nH+]c(C)n1 ZINC001105711617 775852851 /nfs/dbraw/zinc/85/28/51/775852851.db2.gz HFHNTUTYKLKHTQ-JTQLQIEISA-N 1 2 281.316 -1.190 20 0 CAADLO Cc1nc(NC[C@@H](O)CNC(=O)CC(N)=O)cc[nH+]1 ZINC001105761747 775859059 /nfs/dbraw/zinc/85/90/59/775859059.db2.gz BMPXKAVUWAJKLM-MRVPVSSYSA-N 1 2 267.289 -1.451 20 0 CAADLO NC(=O)C(=O)N1CC[C@H](CCNC(=O)Cn2cc[nH+]c2)C1 ZINC001060282201 775862404 /nfs/dbraw/zinc/86/24/04/775862404.db2.gz VNDRNJBTJOTHBE-JTQLQIEISA-N 1 2 293.327 -1.277 20 0 CAADLO CNC(=O)CC(=O)N[C@@H]1C[N@@H+](CC(=O)NC)C[C@H]1OC ZINC001212165790 775864552 /nfs/dbraw/zinc/86/45/52/775864552.db2.gz JRJHCBJTIRMTIZ-RKDXNWHRSA-N 1 2 286.332 -2.316 20 0 CAADLO CNC(=O)CC(=O)N[C@@H]1C[N@H+](CC(=O)NC)C[C@H]1OC ZINC001212165790 775864562 /nfs/dbraw/zinc/86/45/62/775864562.db2.gz JRJHCBJTIRMTIZ-RKDXNWHRSA-N 1 2 286.332 -2.316 20 0 CAADLO CNC(=O)CC(=O)N[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@H]1OC ZINC001212168083 775865757 /nfs/dbraw/zinc/86/57/57/775865757.db2.gz QNDMDQALEHNLKA-KXUCPTDWSA-N 1 2 298.343 -2.174 20 0 CAADLO CNC(=O)CC(=O)N[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@H]1OC ZINC001212168083 775865766 /nfs/dbraw/zinc/86/57/66/775865766.db2.gz QNDMDQALEHNLKA-KXUCPTDWSA-N 1 2 298.343 -2.174 20 0 CAADLO CO[C@@H]1C[N@H+](CCF)C[C@H]1NC(=O)[C@H](C)NC(N)=O ZINC001212170106 775867162 /nfs/dbraw/zinc/86/71/62/775867162.db2.gz HGCWNGPDQAPXGS-DJLDLDEBSA-N 1 2 276.312 -1.172 20 0 CAADLO CO[C@@H]1C[N@@H+](CCF)C[C@H]1NC(=O)[C@H](C)NC(N)=O ZINC001212170106 775867166 /nfs/dbraw/zinc/86/71/66/775867166.db2.gz HGCWNGPDQAPXGS-DJLDLDEBSA-N 1 2 276.312 -1.172 20 0 CAADLO Cc1nc(NC[C@@H](O)CNC(=O)CCNC(N)=O)cc[nH+]1 ZINC001105854185 775867948 /nfs/dbraw/zinc/86/79/48/775867948.db2.gz VWHPAGCGFXQDAL-SECBINFHSA-N 1 2 296.331 -1.268 20 0 CAADLO Cc1nc(NC[C@H](O)CNC(=O)CCNC(N)=O)cc[nH+]1 ZINC001105854186 775868325 /nfs/dbraw/zinc/86/83/25/775868325.db2.gz VWHPAGCGFXQDAL-VIFPVBQESA-N 1 2 296.331 -1.268 20 0 CAADLO C[C@H](CC(=O)NCC[NH2+]Cc1nc(=O)n(C)[nH]1)NC(N)=O ZINC001127163335 775870173 /nfs/dbraw/zinc/87/01/73/775870173.db2.gz TWYQQHKEXUSHNS-SSDOTTSWSA-N 1 2 299.335 -2.239 20 0 CAADLO C[C@H](CC(=O)NCC[NH2+]Cc1cnon1)NC(N)=O ZINC001127155532 775870620 /nfs/dbraw/zinc/87/06/20/775870620.db2.gz RATQKQHHGOCORI-SSDOTTSWSA-N 1 2 270.293 -1.278 20 0 CAADLO C[C@@H]1[C@@H](NC(=O)c2ccc(C(N)=O)[nH]2)CC[N@@H+]1CC(N)=O ZINC001088863615 775878520 /nfs/dbraw/zinc/87/85/20/775878520.db2.gz OGNVTOJAHDTNPK-SFYZADRCSA-N 1 2 293.327 -1.209 20 0 CAADLO C[C@@H]1[C@@H](NC(=O)c2ccc(C(N)=O)[nH]2)CC[N@H+]1CC(N)=O ZINC001088863615 775878524 /nfs/dbraw/zinc/87/85/24/775878524.db2.gz OGNVTOJAHDTNPK-SFYZADRCSA-N 1 2 293.327 -1.209 20 0 CAADLO C[C@H](O)C[NH+]1CC(NC(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001030625720 775881760 /nfs/dbraw/zinc/88/17/60/775881760.db2.gz ZWPWSAGCJZULQN-QMMMGPOBSA-N 1 2 282.300 -1.870 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cnn(C)n2)[C@H]1C ZINC001088919440 775882313 /nfs/dbraw/zinc/88/23/13/775882313.db2.gz GJLADIFWQCNOEM-BDAKNGLRSA-N 1 2 280.332 -1.246 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cnn(C)n2)[C@H]1C ZINC001088919440 775882325 /nfs/dbraw/zinc/88/23/25/775882325.db2.gz GJLADIFWQCNOEM-BDAKNGLRSA-N 1 2 280.332 -1.246 20 0 CAADLO COCCn1nc(C(=O)NC2C[NH+](CCO)C2)ccc1=O ZINC001030641320 775883300 /nfs/dbraw/zinc/88/33/00/775883300.db2.gz BGLOBYCNVLVMEU-UHFFFAOYSA-N 1 2 296.327 -1.704 20 0 CAADLO C[C@@H]1[C@@H](NC(=O)c2cnn(C)n2)CC[N@@H+]1CC(N)=O ZINC001088919681 775883345 /nfs/dbraw/zinc/88/33/45/775883345.db2.gz VBASFJWZGHSCHZ-SFYZADRCSA-N 1 2 266.305 -1.507 20 0 CAADLO C[C@@H]1[C@@H](NC(=O)c2cnn(C)n2)CC[N@H+]1CC(N)=O ZINC001088919681 775883348 /nfs/dbraw/zinc/88/33/48/775883348.db2.gz VBASFJWZGHSCHZ-SFYZADRCSA-N 1 2 266.305 -1.507 20 0 CAADLO Cn1ncc2c1nc[nH+]c2NC[C@@H](O)CNC(=O)C(N)=O ZINC001106077118 775884743 /nfs/dbraw/zinc/88/47/43/775884743.db2.gz IBEDJDZCRXFBBB-ZCFIWIBFSA-N 1 2 293.287 -2.262 20 0 CAADLO C[C@@H]1[C@@H](NC(=O)[C@@H]2CCC(=O)N2)CC[N@@H+]1CC(N)=O ZINC001088991318 775885134 /nfs/dbraw/zinc/88/51/34/775885134.db2.gz UJOVZHCPYGJRGH-VGMNWLOBSA-N 1 2 268.317 -1.671 20 0 CAADLO C[C@@H]1[C@@H](NC(=O)[C@@H]2CCC(=O)N2)CC[N@H+]1CC(N)=O ZINC001088991318 775885144 /nfs/dbraw/zinc/88/51/44/775885144.db2.gz UJOVZHCPYGJRGH-VGMNWLOBSA-N 1 2 268.317 -1.671 20 0 CAADLO C[C@@H]1[C@@H](NC(=O)c2c[nH]c(C(N)=O)c2)CC[N@@H+]1CC(N)=O ZINC001089042033 775885269 /nfs/dbraw/zinc/88/52/69/775885269.db2.gz CVBLUGQQZKTNHQ-APPZFPTMSA-N 1 2 293.327 -1.209 20 0 CAADLO C[C@@H]1[C@@H](NC(=O)c2c[nH]c(C(N)=O)c2)CC[N@H+]1CC(N)=O ZINC001089042033 775885279 /nfs/dbraw/zinc/88/52/79/775885279.db2.gz CVBLUGQQZKTNHQ-APPZFPTMSA-N 1 2 293.327 -1.209 20 0 CAADLO C[C@@H]1[C@@H](NC(=O)c2cn(CC(N)=O)nn2)CC[N@@H+]1CCF ZINC001089059636 775885568 /nfs/dbraw/zinc/88/55/68/775885568.db2.gz UWICBVWFTSYARS-BDAKNGLRSA-N 1 2 298.322 -1.075 20 0 CAADLO C[C@@H]1[C@@H](NC(=O)c2cn(CC(N)=O)nn2)CC[N@H+]1CCF ZINC001089059636 775885576 /nfs/dbraw/zinc/88/55/76/775885576.db2.gz UWICBVWFTSYARS-BDAKNGLRSA-N 1 2 298.322 -1.075 20 0 CAADLO Cc1nc(NC[C@@H](O)CNC(=O)[C@@H]2CNC(=O)N2)cc[nH+]1 ZINC001106088697 775887777 /nfs/dbraw/zinc/88/77/77/775887777.db2.gz KGJXIUJKRIERJY-BDAKNGLRSA-N 1 2 294.315 -1.645 20 0 CAADLO Cc1nc(NC[C@H](O)CNC(=O)C2(C(N)=O)CC2)cc[nH+]1 ZINC001106097250 775889175 /nfs/dbraw/zinc/88/91/75/775889175.db2.gz BSIGHBULOMMPJN-VIFPVBQESA-N 1 2 293.327 -1.060 20 0 CAADLO C[C@@H](CCNC(=O)Cc1c[nH+]cn1C)NC(=O)CC(N)=O ZINC001077498496 775891370 /nfs/dbraw/zinc/89/13/70/775891370.db2.gz QNRAQWJCMGCCQE-VIFPVBQESA-N 1 2 295.343 -1.151 20 0 CAADLO CC[C@@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2[nH]nnc2C)C1 ZINC001077496251 775892325 /nfs/dbraw/zinc/89/23/25/775892325.db2.gz NKVFVCRQLQYQSL-HRDYMLBCSA-N 1 2 296.331 -1.848 20 0 CAADLO CC[C@@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2[nH]nnc2C)C1 ZINC001077496251 775892330 /nfs/dbraw/zinc/89/23/30/775892330.db2.gz NKVFVCRQLQYQSL-HRDYMLBCSA-N 1 2 296.331 -1.848 20 0 CAADLO C[N@@H+]1CCO[C@H]2CN(C(=O)C[C@@H]3NC(=O)CNC3=O)C[C@@H]21 ZINC001272325153 775894010 /nfs/dbraw/zinc/89/40/10/775894010.db2.gz DKEOXLBUTYXGTC-GUBZILKMSA-N 1 2 296.327 -2.468 20 0 CAADLO C[N@H+]1CCO[C@H]2CN(C(=O)C[C@@H]3NC(=O)CNC3=O)C[C@@H]21 ZINC001272325153 775894015 /nfs/dbraw/zinc/89/40/15/775894015.db2.gz DKEOXLBUTYXGTC-GUBZILKMSA-N 1 2 296.327 -2.468 20 0 CAADLO CNC(=O)C[N@@H+]1C[C@@H](NC(=O)CC(C)(C)O)[C@H](OC)C1 ZINC001212196335 775895150 /nfs/dbraw/zinc/89/51/50/775895150.db2.gz QWFLGRJHSVKTJZ-NXEZZACHSA-N 1 2 287.360 -1.291 20 0 CAADLO CNC(=O)C[N@H+]1C[C@@H](NC(=O)CC(C)(C)O)[C@H](OC)C1 ZINC001212196335 775895158 /nfs/dbraw/zinc/89/51/58/775895158.db2.gz QWFLGRJHSVKTJZ-NXEZZACHSA-N 1 2 287.360 -1.291 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(=O)n2C)C1 ZINC001077511687 775903185 /nfs/dbraw/zinc/90/31/85/775903185.db2.gz ZGKVNFYYSYTNGZ-LKEWCRSYSA-N 1 2 297.315 -2.226 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(=O)n2C)C1 ZINC001077511687 775903194 /nfs/dbraw/zinc/90/31/94/775903194.db2.gz ZGKVNFYYSYTNGZ-LKEWCRSYSA-N 1 2 297.315 -2.226 20 0 CAADLO O=C(N[C@@H]1C[N@@H+](CCF)C[C@H]1O)[C@@H]1CCNC1=O ZINC001077513017 775906024 /nfs/dbraw/zinc/90/60/24/775906024.db2.gz WFUOSZUOUWNGOF-IWSPIJDZSA-N 1 2 259.281 -1.747 20 0 CAADLO O=C(N[C@@H]1C[N@H+](CCF)C[C@H]1O)[C@@H]1CCNC1=O ZINC001077513017 775906031 /nfs/dbraw/zinc/90/60/31/775906031.db2.gz WFUOSZUOUWNGOF-IWSPIJDZSA-N 1 2 259.281 -1.747 20 0 CAADLO CC[C@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)c2c[nH]nc2C)[C@@H](O)C1 ZINC001083686910 775907832 /nfs/dbraw/zinc/90/78/32/775907832.db2.gz QJNHPKJRTNYAFV-MXWKQRLJSA-N 1 2 295.343 -1.243 20 0 CAADLO CC[C@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)c2c[nH]nc2C)[C@@H](O)C1 ZINC001083686910 775907838 /nfs/dbraw/zinc/90/78/38/775907838.db2.gz QJNHPKJRTNYAFV-MXWKQRLJSA-N 1 2 295.343 -1.243 20 0 CAADLO CNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)c2c[nH]nc2C)[C@@H](O)C1 ZINC001083686925 775909019 /nfs/dbraw/zinc/90/90/19/775909019.db2.gz RGAJYKMORXESHC-GDPRMGEGSA-N 1 2 295.343 -1.372 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2c[nH]nc2C)[C@@H](O)C1 ZINC001083686925 775909027 /nfs/dbraw/zinc/90/90/27/775909027.db2.gz RGAJYKMORXESHC-GDPRMGEGSA-N 1 2 295.343 -1.372 20 0 CAADLO O=C(NC[C@@H](O)C[NH2+]CCO)C(F)C(F)(F)F ZINC001272426554 775910147 /nfs/dbraw/zinc/91/01/47/775910147.db2.gz USOUHYYWWHUKDX-WDSKDSINSA-N 1 2 262.203 -1.054 20 0 CAADLO O=C(NC[C@@H](O)C[NH2+]CCO)[C@H](F)C(F)(F)F ZINC001272426554 775910155 /nfs/dbraw/zinc/91/01/55/775910155.db2.gz USOUHYYWWHUKDX-WDSKDSINSA-N 1 2 262.203 -1.054 20 0 CAADLO CC[C@@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)c2[nH]nnc2C)[C@@H](O)C1 ZINC001083692435 775911686 /nfs/dbraw/zinc/91/16/86/775911686.db2.gz NKVFVCRQLQYQSL-VGMNWLOBSA-N 1 2 296.331 -1.848 20 0 CAADLO CC[C@@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)c2[nH]nnc2C)[C@@H](O)C1 ZINC001083692435 775911696 /nfs/dbraw/zinc/91/16/96/775911696.db2.gz NKVFVCRQLQYQSL-VGMNWLOBSA-N 1 2 296.331 -1.848 20 0 CAADLO CN(C[C@H]1CCN1C(=O)Cc1c[nH+]c[nH]1)C(=O)CC(N)=O ZINC001289955070 775925941 /nfs/dbraw/zinc/92/59/41/775925941.db2.gz YMHVJIYRXNZYDM-SNVBAGLBSA-N 1 2 293.327 -1.113 20 0 CAADLO CC(C)[C@@H](CNC(=O)[C@H](C)N1CC[NH2+]CC1=O)ON ZINC001121993854 775926968 /nfs/dbraw/zinc/92/69/68/775926968.db2.gz FREAMAFTPPWICZ-VHSXEESVSA-N 1 2 272.349 -1.162 20 0 CAADLO CN(C)C(=O)C[N@H+]1C[C@@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)[C@@H](O)C1 ZINC001083709152 775927685 /nfs/dbraw/zinc/92/76/85/775927685.db2.gz BJQDQVKCDGJNHI-OQEOFVATSA-N 1 2 297.355 -1.872 20 0 CAADLO CN(C)C(=O)C[N@@H+]1C[C@@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)[C@@H](O)C1 ZINC001083709152 775927693 /nfs/dbraw/zinc/92/76/93/775927693.db2.gz BJQDQVKCDGJNHI-OQEOFVATSA-N 1 2 297.355 -1.872 20 0 CAADLO O=C1CC[C@@H](C[NH+]2CC3(C2)COCC(=O)N3C2COC2)N1 ZINC001272528266 775928476 /nfs/dbraw/zinc/92/84/76/775928476.db2.gz SMPYUNHSXGZLFY-JTQLQIEISA-N 1 2 295.339 -1.423 20 0 CAADLO CNC(=O)NCC(=O)NC[C@@H](O)CNc1cc[nH+]c(C)n1 ZINC001106147639 775933123 /nfs/dbraw/zinc/93/31/23/775933123.db2.gz SRVSEGWKYHRAOY-VIFPVBQESA-N 1 2 296.331 -1.397 20 0 CAADLO CN1CC[C@@H](C(=O)N[C@@H]2C[N@H+](CCF)C[C@@H]2O)C1=O ZINC001083711237 775938919 /nfs/dbraw/zinc/93/89/19/775938919.db2.gz ZTOSGDPVLOUKRF-AEJSXWLSSA-N 1 2 273.308 -1.405 20 0 CAADLO CN1CC[C@@H](C(=O)N[C@@H]2C[N@@H+](CCF)C[C@@H]2O)C1=O ZINC001083711237 775938928 /nfs/dbraw/zinc/93/89/28/775938928.db2.gz ZTOSGDPVLOUKRF-AEJSXWLSSA-N 1 2 273.308 -1.405 20 0 CAADLO C[C@H](C(=O)NCc1cn(C)cn1)N1CC[NH2+]CC1=O ZINC001122297622 775942921 /nfs/dbraw/zinc/94/29/21/775942921.db2.gz PGLNYROXFHIBTD-SECBINFHSA-N 1 2 265.317 -1.143 20 0 CAADLO C[C@@H](C(=O)NCc1cn(C)cn1)N1CC[NH2+]CC1=O ZINC001122297623 775942947 /nfs/dbraw/zinc/94/29/47/775942947.db2.gz PGLNYROXFHIBTD-VIFPVBQESA-N 1 2 265.317 -1.143 20 0 CAADLO O=C(Cc1cnoc1)N[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@@H]1O ZINC001083719936 775944041 /nfs/dbraw/zinc/94/40/41/775944041.db2.gz COGRRIRRWFJWJU-MXWKQRLJSA-N 1 2 294.311 -1.733 20 0 CAADLO O=C(Cc1cnoc1)N[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@@H]1O ZINC001083719936 775944050 /nfs/dbraw/zinc/94/40/50/775944050.db2.gz COGRRIRRWFJWJU-MXWKQRLJSA-N 1 2 294.311 -1.733 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)Cc2cnoc2)[C@@H](O)C1 ZINC001083720131 775944068 /nfs/dbraw/zinc/94/40/68/775944068.db2.gz MRBRFYVRKCNSKC-IEBDPFPHSA-N 1 2 296.327 -1.487 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)Cc2cnoc2)[C@@H](O)C1 ZINC001083720131 775944074 /nfs/dbraw/zinc/94/40/74/775944074.db2.gz MRBRFYVRKCNSKC-IEBDPFPHSA-N 1 2 296.327 -1.487 20 0 CAADLO CO[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@H]1NC(=O)CC(C)(C)O ZINC001212199079 775944158 /nfs/dbraw/zinc/94/41/58/775944158.db2.gz PHXPYGHFLZCPBB-OUAUKWLOSA-N 1 2 299.371 -1.149 20 0 CAADLO CO[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@H]1NC(=O)CC(C)(C)O ZINC001212199079 775944170 /nfs/dbraw/zinc/94/41/70/775944170.db2.gz PHXPYGHFLZCPBB-OUAUKWLOSA-N 1 2 299.371 -1.149 20 0 CAADLO CC[C@@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)Cc2cnoc2)[C@@H](O)C1 ZINC001083720894 775944377 /nfs/dbraw/zinc/94/43/77/775944377.db2.gz ZBBATRXMQNXUIZ-VWYCJHECSA-N 1 2 296.327 -1.358 20 0 CAADLO CC[C@@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)Cc2cnoc2)[C@@H](O)C1 ZINC001083720894 775944384 /nfs/dbraw/zinc/94/43/84/775944384.db2.gz ZBBATRXMQNXUIZ-VWYCJHECSA-N 1 2 296.327 -1.358 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)Cc2cnoc2)[C@@H](O)C1 ZINC001083720257 775944547 /nfs/dbraw/zinc/94/45/47/775944547.db2.gz SUTWNUJIGZPAHB-SFGNSQDASA-N 1 2 282.300 -1.748 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)Cc2cnoc2)[C@@H](O)C1 ZINC001083720257 775944557 /nfs/dbraw/zinc/94/45/57/775944557.db2.gz SUTWNUJIGZPAHB-SFGNSQDASA-N 1 2 282.300 -1.748 20 0 CAADLO CC1(C)CC[C@@H](CNC(=O)C(N)=O)[N@H+](CC(N)=O)C1 ZINC001099202334 775947626 /nfs/dbraw/zinc/94/76/26/775947626.db2.gz ACQJMDCUANUOLF-QMMMGPOBSA-N 1 2 270.333 -1.436 20 0 CAADLO CC1(C)CC[C@@H](CNC(=O)C(N)=O)[N@@H+](CC(N)=O)C1 ZINC001099202334 775947634 /nfs/dbraw/zinc/94/76/34/775947634.db2.gz ACQJMDCUANUOLF-QMMMGPOBSA-N 1 2 270.333 -1.436 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001077534852 775949949 /nfs/dbraw/zinc/94/99/49/775949949.db2.gz LZAMTMRYTLORJQ-PMXSCFQLSA-N 1 2 283.328 -2.086 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001077534852 775949962 /nfs/dbraw/zinc/94/99/62/775949962.db2.gz LZAMTMRYTLORJQ-PMXSCFQLSA-N 1 2 283.328 -2.086 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001077537645 775954358 /nfs/dbraw/zinc/95/43/58/775954358.db2.gz BYFLRYSIJUQHCA-RFHDDPBLSA-N 1 2 297.355 -1.825 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001077537645 775954364 /nfs/dbraw/zinc/95/43/64/775954364.db2.gz BYFLRYSIJUQHCA-RFHDDPBLSA-N 1 2 297.355 -1.825 20 0 CAADLO C[N@@H+]1CCN(C(=O)[C@H]2CSC(=O)N2)[C@H](CO)C1 ZINC000699475135 775954849 /nfs/dbraw/zinc/95/48/49/775954849.db2.gz PSTDBYSNBCCDHR-JGVFFNPUSA-N 1 2 259.331 -1.054 20 0 CAADLO C[N@H+]1CCN(C(=O)[C@H]2CSC(=O)N2)[C@H](CO)C1 ZINC000699475135 775954857 /nfs/dbraw/zinc/95/48/57/775954857.db2.gz PSTDBYSNBCCDHR-JGVFFNPUSA-N 1 2 259.331 -1.054 20 0 CAADLO C[C@H](C(N)=O)[N@H+](C)CCCNC(=O)CS(C)(=O)=O ZINC001234967554 775957419 /nfs/dbraw/zinc/95/74/19/775957419.db2.gz QQIFLWBNKVRZOP-MRVPVSSYSA-N 1 2 279.362 -1.657 20 0 CAADLO C[C@H](C(N)=O)[N@@H+](C)CCCNC(=O)CS(C)(=O)=O ZINC001234967554 775957423 /nfs/dbraw/zinc/95/74/23/775957423.db2.gz QQIFLWBNKVRZOP-MRVPVSSYSA-N 1 2 279.362 -1.657 20 0 CAADLO COCc1noc(C[NH2+]CCNC(=O)[C@@H](C)NC(C)=O)n1 ZINC001123071324 775960599 /nfs/dbraw/zinc/96/05/99/775960599.db2.gz CITORVVPRIFIEE-MRVPVSSYSA-N 1 2 299.331 -1.054 20 0 CAADLO CCc1noc(C[NH2+]CCNC(=O)CNC(N)=O)n1 ZINC001123242701 775962158 /nfs/dbraw/zinc/96/21/58/775962158.db2.gz RSROORSIUKXYBH-UHFFFAOYSA-N 1 2 270.293 -1.494 20 0 CAADLO Cc1noc([C@@H](C)[NH2+]CCNC(=O)CNC(N)=O)n1 ZINC001123264413 775964466 /nfs/dbraw/zinc/96/44/66/775964466.db2.gz YHLSKRZIOKYQBG-ZCFIWIBFSA-N 1 2 270.293 -1.187 20 0 CAADLO C[C@@H]([NH2+]CCNC(=O)CNC(N)=O)c1csnn1 ZINC001123242443 775964927 /nfs/dbraw/zinc/96/49/27/775964927.db2.gz QYQMEWWIHZOPFF-ZCFIWIBFSA-N 1 2 272.334 -1.027 20 0 CAADLO O=C(N[C@@H]1C[N@@H+](C/C=C/Cl)C[C@@H]1O)[C@@H]1CNC(=O)N1 ZINC001083740579 775966807 /nfs/dbraw/zinc/96/68/07/775966807.db2.gz ICHXMBZRISFUIH-RNVICZODSA-N 1 2 288.735 -1.418 20 0 CAADLO O=C(N[C@@H]1C[N@H+](C/C=C/Cl)C[C@@H]1O)[C@@H]1CNC(=O)N1 ZINC001083740579 775966815 /nfs/dbraw/zinc/96/68/15/775966815.db2.gz ICHXMBZRISFUIH-RNVICZODSA-N 1 2 288.735 -1.418 20 0 CAADLO CN(C)C(=O)C[N@H+]1C[C@@H](NC(=O)[C@@H]2CNC(=O)N2)[C@@H](O)C1 ZINC001083740429 775967722 /nfs/dbraw/zinc/96/77/22/775967722.db2.gz CNQHYZMUTKTRIC-YIZRAAEISA-N 1 2 299.331 -3.083 20 0 CAADLO CN(C)C(=O)C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CNC(=O)N2)[C@@H](O)C1 ZINC001083740429 775967724 /nfs/dbraw/zinc/96/77/24/775967724.db2.gz CNQHYZMUTKTRIC-YIZRAAEISA-N 1 2 299.331 -3.083 20 0 CAADLO COc1ccc(C[N@H+]2C[C@@H](NC(=O)C(N)=O)[C@@H](O)C2)cc1 ZINC001083743818 775970000 /nfs/dbraw/zinc/97/00/00/775970000.db2.gz JCFCZULZBGLLJA-NEPJUHHUSA-N 1 2 293.323 -1.158 20 0 CAADLO COc1ccc(C[N@@H+]2C[C@@H](NC(=O)C(N)=O)[C@@H](O)C2)cc1 ZINC001083743818 775970006 /nfs/dbraw/zinc/97/00/06/775970006.db2.gz JCFCZULZBGLLJA-NEPJUHHUSA-N 1 2 293.323 -1.158 20 0 CAADLO Cc1noc(C)c1C[N@H+]1C[C@@H](NC(=O)C(N)=O)[C@@H](O)C1 ZINC001083744143 775970282 /nfs/dbraw/zinc/97/02/82/775970282.db2.gz ZCMUXDVLDIFDAS-ZJUUUORDSA-N 1 2 282.300 -1.562 20 0 CAADLO Cc1noc(C)c1C[N@@H+]1C[C@@H](NC(=O)C(N)=O)[C@@H](O)C1 ZINC001083744143 775970289 /nfs/dbraw/zinc/97/02/89/775970289.db2.gz ZCMUXDVLDIFDAS-ZJUUUORDSA-N 1 2 282.300 -1.562 20 0 CAADLO Cc1nc(C)n(CC[N@H+]2C[C@@H](NC(=O)C(N)=O)[C@@H](O)C2)n1 ZINC001083744078 775970549 /nfs/dbraw/zinc/97/05/49/775970549.db2.gz VUXHBYXCPJBODH-ZJUUUORDSA-N 1 2 296.331 -2.458 20 0 CAADLO Cc1nc(C)n(CC[N@@H+]2C[C@@H](NC(=O)C(N)=O)[C@@H](O)C2)n1 ZINC001083744078 775970556 /nfs/dbraw/zinc/97/05/56/775970556.db2.gz VUXHBYXCPJBODH-ZJUUUORDSA-N 1 2 296.331 -2.458 20 0 CAADLO NC(=O)C(=O)N[C@@H]1C[N@H+](Cc2cccc(F)c2)C[C@@H]1O ZINC001083743920 775971125 /nfs/dbraw/zinc/97/11/25/775971125.db2.gz NPJJYKFAFRBNCB-MNOVXSKESA-N 1 2 281.287 -1.028 20 0 CAADLO NC(=O)C(=O)N[C@@H]1C[N@@H+](Cc2cccc(F)c2)C[C@@H]1O ZINC001083743920 775971136 /nfs/dbraw/zinc/97/11/36/775971136.db2.gz NPJJYKFAFRBNCB-MNOVXSKESA-N 1 2 281.287 -1.028 20 0 CAADLO Cc1nc(C)c(C[N@H+]2C[C@@H](NC(=O)C(N)=O)[C@@H](O)C2)s1 ZINC001083744103 775971357 /nfs/dbraw/zinc/97/13/57/775971357.db2.gz WXMMCBFNQUEKSE-BDAKNGLRSA-N 1 2 298.368 -1.093 20 0 CAADLO Cc1nc(C)c(C[N@@H+]2C[C@@H](NC(=O)C(N)=O)[C@@H](O)C2)s1 ZINC001083744103 775971361 /nfs/dbraw/zinc/97/13/61/775971361.db2.gz WXMMCBFNQUEKSE-BDAKNGLRSA-N 1 2 298.368 -1.093 20 0 CAADLO NC(=O)C(=O)N[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@@H]1O ZINC001083744635 775973144 /nfs/dbraw/zinc/97/31/44/775973144.db2.gz VZRNDDHWMNNOOS-RQJHMYQMSA-N 1 2 299.287 -3.815 20 0 CAADLO NC(=O)C(=O)N[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@@H]1O ZINC001083744635 775973146 /nfs/dbraw/zinc/97/31/46/775973146.db2.gz VZRNDDHWMNNOOS-RQJHMYQMSA-N 1 2 299.287 -3.815 20 0 CAADLO Cc1nc(C)c(C[N@H+]2C[C@@H](NC(=O)C(N)=O)[C@@H](O)C2)o1 ZINC001083744480 775973411 /nfs/dbraw/zinc/97/34/11/775973411.db2.gz OWDABUZXDQIBPN-BDAKNGLRSA-N 1 2 282.300 -1.562 20 0 CAADLO Cc1nc(C)c(C[N@@H+]2C[C@@H](NC(=O)C(N)=O)[C@@H](O)C2)o1 ZINC001083744480 775973419 /nfs/dbraw/zinc/97/34/19/775973419.db2.gz OWDABUZXDQIBPN-BDAKNGLRSA-N 1 2 282.300 -1.562 20 0 CAADLO NC(=O)C(=O)N[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@@H]1O ZINC001083744485 775973469 /nfs/dbraw/zinc/97/34/69/775973469.db2.gz PCKMRCBPAPZKCE-BDAKNGLRSA-N 1 2 284.316 -2.745 20 0 CAADLO NC(=O)C(=O)N[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@@H]1O ZINC001083744485 775973476 /nfs/dbraw/zinc/97/34/76/775973476.db2.gz PCKMRCBPAPZKCE-BDAKNGLRSA-N 1 2 284.316 -2.745 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)c2cn(C)c(=O)[nH]2)[C@@H](O)C1 ZINC001083752486 775974772 /nfs/dbraw/zinc/97/47/72/775974772.db2.gz XOGRQAVXQMDXJE-BHNWBGBOSA-N 1 2 297.315 -2.226 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)c2cn(C)c(=O)[nH]2)[C@@H](O)C1 ZINC001083752486 775974779 /nfs/dbraw/zinc/97/47/79/775974779.db2.gz XOGRQAVXQMDXJE-BHNWBGBOSA-N 1 2 297.315 -2.226 20 0 CAADLO CO[C@@H](C)C[N@H+]1C[C@@H](NC(=O)C2=NC(=O)N(C)C2)[C@@H](O)C1 ZINC001083752286 775975536 /nfs/dbraw/zinc/97/55/36/775975536.db2.gz NBONZLOMZFMUHC-NGZCFLSTSA-N 1 2 298.343 -1.065 20 0 CAADLO CO[C@@H](C)C[N@@H+]1C[C@@H](NC(=O)C2=NC(=O)N(C)C2)[C@@H](O)C1 ZINC001083752286 775975544 /nfs/dbraw/zinc/97/55/44/775975544.db2.gz NBONZLOMZFMUHC-NGZCFLSTSA-N 1 2 298.343 -1.065 20 0 CAADLO C[C@@H](O)C[N@H+]1C[C@@H](NC(=O)C2=NC(=O)N(C)C2)[C@@H](O)C1 ZINC001083752453 775976161 /nfs/dbraw/zinc/97/61/61/775976161.db2.gz VUOIFKDWXLEUFC-MRTMQBJTSA-N 1 2 284.316 -1.719 20 0 CAADLO C[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)C2=NC(=O)N(C)C2)[C@@H](O)C1 ZINC001083752453 775976168 /nfs/dbraw/zinc/97/61/68/775976168.db2.gz VUOIFKDWXLEUFC-MRTMQBJTSA-N 1 2 284.316 -1.719 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)CC2=CCOCC2)[C@@H](O)C1 ZINC001083754332 775978151 /nfs/dbraw/zinc/97/81/51/775978151.db2.gz LRRYSRWOGRCTPY-WCQGTBRESA-N 1 2 297.355 -1.242 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)CC2=CCOCC2)[C@@H](O)C1 ZINC001083754332 775978156 /nfs/dbraw/zinc/97/81/56/775978156.db2.gz LRRYSRWOGRCTPY-WCQGTBRESA-N 1 2 297.355 -1.242 20 0 CAADLO Cc1cnc(C[NH2+]CCNC(=O)Cn2ncnn2)o1 ZINC001127433091 775979530 /nfs/dbraw/zinc/97/95/30/775979530.db2.gz DLYFUORVCTXUNJ-UHFFFAOYSA-N 1 2 265.277 -1.124 20 0 CAADLO O=C(Cn1ncnn1)NCC[NH2+]Cc1csnn1 ZINC001127433187 775979603 /nfs/dbraw/zinc/97/96/03/775979603.db2.gz HSXRIMRVSFPFNW-UHFFFAOYSA-N 1 2 268.306 -1.569 20 0 CAADLO CN(C)c1noc(C[NH2+]CCNC(=O)Cn2ncnn2)n1 ZINC001127433025 775979889 /nfs/dbraw/zinc/97/98/89/775979889.db2.gz BPKHHLPZKYVSIZ-UHFFFAOYSA-N 1 2 295.307 -1.972 20 0 CAADLO Cn1cc(C(=O)NC2C[NH+](CCO)C2)n(C)c1=O ZINC001031449257 775981646 /nfs/dbraw/zinc/98/16/46/775981646.db2.gz VLWYTEHWUHTJNV-UHFFFAOYSA-N 1 2 254.290 -1.870 20 0 CAADLO C[C@@H]([NH2+]CCNC(=O)Cn1ncnn1)c1csnn1 ZINC001127438429 775982796 /nfs/dbraw/zinc/98/27/96/775982796.db2.gz QZJFKIGXDBWIEU-SSDOTTSWSA-N 1 2 282.333 -1.008 20 0 CAADLO CCc1noc(C[NH2+]CCNC(=O)Cn2ncnn2)n1 ZINC001127442347 775983243 /nfs/dbraw/zinc/98/32/43/775983243.db2.gz ATQYYIMVAQQHBN-UHFFFAOYSA-N 1 2 280.292 -1.476 20 0 CAADLO CC[C@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cnoc2)C1 ZINC001077557293 775989756 /nfs/dbraw/zinc/98/97/56/775989756.db2.gz ZBBATRXMQNXUIZ-GMTAPVOTSA-N 1 2 296.327 -1.358 20 0 CAADLO CC[C@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cnoc2)C1 ZINC001077557293 775989760 /nfs/dbraw/zinc/98/97/60/775989760.db2.gz ZBBATRXMQNXUIZ-GMTAPVOTSA-N 1 2 296.327 -1.358 20 0 CAADLO CC[C@@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cnoc2)C1 ZINC001077557294 775990332 /nfs/dbraw/zinc/99/03/32/775990332.db2.gz ZBBATRXMQNXUIZ-OUAUKWLOSA-N 1 2 296.327 -1.358 20 0 CAADLO CC[C@@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cnoc2)C1 ZINC001077557294 775990337 /nfs/dbraw/zinc/99/03/37/775990337.db2.gz ZBBATRXMQNXUIZ-OUAUKWLOSA-N 1 2 296.327 -1.358 20 0 CAADLO O=C(Cc1cnoc1)N[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@H]1O ZINC001077556325 775990817 /nfs/dbraw/zinc/99/08/17/775990817.db2.gz COGRRIRRWFJWJU-OUAUKWLOSA-N 1 2 294.311 -1.733 20 0 CAADLO O=C(Cc1cnoc1)N[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@H]1O ZINC001077556325 775990825 /nfs/dbraw/zinc/99/08/25/775990825.db2.gz COGRRIRRWFJWJU-OUAUKWLOSA-N 1 2 294.311 -1.733 20 0 CAADLO CNC(=O)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2cnnn2)C1 ZINC001047295014 775996679 /nfs/dbraw/zinc/99/66/79/775996679.db2.gz CSQOVTSFAFXMKV-IUCAKERBSA-N 1 2 297.319 -3.077 20 0 CAADLO CNC(=O)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2cnnn2)C1 ZINC001047295014 775996691 /nfs/dbraw/zinc/99/66/91/775996691.db2.gz CSQOVTSFAFXMKV-IUCAKERBSA-N 1 2 297.319 -3.077 20 0 CAADLO CN(C)C(=O)C[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCC(=O)N1C ZINC001038592414 775998652 /nfs/dbraw/zinc/99/86/52/775998652.db2.gz MACOELICTLVRPB-MNOVXSKESA-N 1 2 296.371 -1.114 20 0 CAADLO CN(C)C(=O)C[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCC(=O)N1C ZINC001038592414 775998657 /nfs/dbraw/zinc/99/86/57/775998657.db2.gz MACOELICTLVRPB-MNOVXSKESA-N 1 2 296.371 -1.114 20 0 CAADLO CCn1ncc(C[NH2+]CCNC(=O)CS(C)(=O)=O)n1 ZINC001124362138 775999448 /nfs/dbraw/zinc/99/94/48/775999448.db2.gz JFOMFKOVZIKFKA-UHFFFAOYSA-N 1 2 289.361 -1.452 20 0 CAADLO Cc1nnc(C[NH2+]CCNC(=O)CS(C)(=O)=O)o1 ZINC001124362843 776000065 /nfs/dbraw/zinc/00/00/65/776000065.db2.gz QZNBMUVNYGWXGE-UHFFFAOYSA-N 1 2 276.318 -1.372 20 0 CAADLO Cn1nccc1C(=O)NCC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001124544600 776004255 /nfs/dbraw/zinc/00/42/55/776004255.db2.gz LDDGDPRCYHRXMS-UHFFFAOYSA-N 1 2 279.304 -1.639 20 0 CAADLO CC[C@@H](OC)C(=O)NCC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001124568211 776006394 /nfs/dbraw/zinc/00/63/94/776006394.db2.gz SWYRMCPFMARGMI-MRVPVSSYSA-N 1 2 271.321 -1.261 20 0 CAADLO CO[C@H](C)CC(=O)NCC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001124595271 776006498 /nfs/dbraw/zinc/00/64/98/776006498.db2.gz XQTUCGHCEUQLBI-MRVPVSSYSA-N 1 2 271.321 -1.261 20 0 CAADLO Cn1c(C(=O)NC[C@@H]2CC[N@@H+]2[C@H]2CCNC2=O)c[nH]c1=O ZINC001038599529 776008080 /nfs/dbraw/zinc/00/80/80/776008080.db2.gz JHYGVYCJXPVWMK-IUCAKERBSA-N 1 2 293.327 -1.182 20 0 CAADLO Cn1c(C(=O)NC[C@@H]2CC[N@H+]2[C@H]2CCNC2=O)c[nH]c1=O ZINC001038599529 776008086 /nfs/dbraw/zinc/00/80/86/776008086.db2.gz JHYGVYCJXPVWMK-IUCAKERBSA-N 1 2 293.327 -1.182 20 0 CAADLO COC(=O)[C@@H]1C[C@@H]1C(=O)NCC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001124664526 776008270 /nfs/dbraw/zinc/00/82/70/776008270.db2.gz XCYTXDUPQLWRSJ-JGVFFNPUSA-N 1 2 297.315 -1.877 20 0 CAADLO Cn1[nH]c(C[NH2+]CCNC(=O)c2cocn2)nc1=O ZINC001124778526 776013299 /nfs/dbraw/zinc/01/32/99/776013299.db2.gz PKCMHYFSCHDBEX-UHFFFAOYSA-N 1 2 266.261 -1.384 20 0 CAADLO O=C(NCC[NH2+]Cc1cnon1)[C@H]1CCC(=O)N1 ZINC001124815158 776013648 /nfs/dbraw/zinc/01/36/48/776013648.db2.gz ZYNTZKYLBIGJEL-MRVPVSSYSA-N 1 2 253.262 -1.446 20 0 CAADLO Cc1ccncc1C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C(N)=O)C1 ZINC001047506904 776017569 /nfs/dbraw/zinc/01/75/69/776017569.db2.gz KKVSATIYWUBPCY-RYUDHWBXSA-N 1 2 292.339 -1.121 20 0 CAADLO Cc1ccncc1C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C(N)=O)C1 ZINC001047506904 776017583 /nfs/dbraw/zinc/01/75/83/776017583.db2.gz KKVSATIYWUBPCY-RYUDHWBXSA-N 1 2 292.339 -1.121 20 0 CAADLO COCCOCC(=O)NCC[NH2+]Cc1cnon1 ZINC001124925424 776020010 /nfs/dbraw/zinc/02/00/10/776020010.db2.gz GXSZETOHSPCYDJ-UHFFFAOYSA-N 1 2 258.278 -1.062 20 0 CAADLO CN(C)c1noc(C[NH2+]CCNC(=O)CC(N)=O)n1 ZINC001125080411 776021581 /nfs/dbraw/zinc/02/15/81/776021581.db2.gz RVKNJQZDJBVQNA-UHFFFAOYSA-N 1 2 270.293 -1.783 20 0 CAADLO CCc1noc(C[NH2+]CCNC(=O)CC(N)=O)n1 ZINC001125085058 776022894 /nfs/dbraw/zinc/02/28/94/776022894.db2.gz PWERKDHBNINMAG-UHFFFAOYSA-N 1 2 255.278 -1.287 20 0 CAADLO CO[C@H](C)c1noc(C[NH2+]CCNC(=O)CC(N)=O)n1 ZINC001125079609 776023442 /nfs/dbraw/zinc/02/34/42/776023442.db2.gz BTQDCJUMGHJCES-SSDOTTSWSA-N 1 2 285.304 -1.142 20 0 CAADLO COCc1noc(C[NH2+]CCNC(=O)CC(N)=O)n1 ZINC001125079692 776024038 /nfs/dbraw/zinc/02/40/38/776024038.db2.gz FZTBGCQSKGDKJO-UHFFFAOYSA-N 1 2 271.277 -1.703 20 0 CAADLO Cc1ccnc(C[NH2+]CCNC(=O)CC(N)=O)n1 ZINC001125079616 776024321 /nfs/dbraw/zinc/02/43/21/776024321.db2.gz CBIRWVFCTZRQDP-UHFFFAOYSA-N 1 2 251.290 -1.134 20 0 CAADLO CO[C@@H](C)c1noc(C[NH2+]CCNC(=O)CC(N)=O)n1 ZINC001125079610 776024373 /nfs/dbraw/zinc/02/43/73/776024373.db2.gz BTQDCJUMGHJCES-ZETCQYMHSA-N 1 2 285.304 -1.142 20 0 CAADLO CNC(=O)Cc1noc(C[NH2+]CCNC(=O)CC(N)=O)n1 ZINC001125090670 776025890 /nfs/dbraw/zinc/02/58/90/776025890.db2.gz PCHQIZITUHKNPV-UHFFFAOYSA-N 1 2 298.303 -2.561 20 0 CAADLO Cn1[nH]c(C[NH2+]CCNC(=O)C[C@H]2CCOC2)nc1=O ZINC001125118117 776028278 /nfs/dbraw/zinc/02/82/78/776028278.db2.gz CYNFUUHPIGGLMJ-SECBINFHSA-N 1 2 283.332 -1.259 20 0 CAADLO C[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]Cc2n[nH]c(=O)[n-]2)C1 ZINC001125219771 776030726 /nfs/dbraw/zinc/03/07/26/776030726.db2.gz BKMDFXDYEYGJKQ-MRVPVSSYSA-N 1 2 284.320 -1.953 20 0 CAADLO C[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]Cc2n[nH]c(=O)[n-]2)C1 ZINC001125219771 776030732 /nfs/dbraw/zinc/03/07/32/776030732.db2.gz BKMDFXDYEYGJKQ-MRVPVSSYSA-N 1 2 284.320 -1.953 20 0 CAADLO CC(=O)NCc1cn(C2C[NH+](CCOCCO)C2)nn1 ZINC001107105372 776031010 /nfs/dbraw/zinc/03/10/10/776031010.db2.gz HVPVMYSIBYYTTG-UHFFFAOYSA-N 1 2 283.332 -1.220 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(n2cc(CNC(C)=O)nn2)C1 ZINC001107106527 776031954 /nfs/dbraw/zinc/03/19/54/776031954.db2.gz CVCLSAIVFRSYNX-LBPRGKRZSA-N 1 2 283.332 -1.222 20 0 CAADLO CC(=O)NCC(=O)NCc1cn(C2C[NH+](CCO)C2)nn1 ZINC001107117541 776033914 /nfs/dbraw/zinc/03/39/14/776033914.db2.gz WDCJPPGDQOWUNW-UHFFFAOYSA-N 1 2 296.331 -2.121 20 0 CAADLO O=C(N[C@@H]1C[N@H+](CCO)C[C@H]1O)[C@H]1CCCc2n[nH]nc21 ZINC001077585046 776033990 /nfs/dbraw/zinc/03/39/90/776033990.db2.gz OPJMXGTYWCWRLS-JMJZKYOTSA-N 1 2 295.343 -1.622 20 0 CAADLO O=C(N[C@@H]1C[N@@H+](CCO)C[C@H]1O)[C@H]1CCCc2n[nH]nc21 ZINC001077585046 776034001 /nfs/dbraw/zinc/03/40/01/776034001.db2.gz OPJMXGTYWCWRLS-JMJZKYOTSA-N 1 2 295.343 -1.622 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCOC2)C1 ZINC001047585007 776034222 /nfs/dbraw/zinc/03/42/22/776034222.db2.gz ILWKIZAUVXXQGG-VLEAKVRGSA-N 1 2 285.344 -1.600 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCOC2)C1 ZINC001047585007 776034229 /nfs/dbraw/zinc/03/42/29/776034229.db2.gz ILWKIZAUVXXQGG-VLEAKVRGSA-N 1 2 285.344 -1.600 20 0 CAADLO COCC(=O)NCc1cn(C2C[NH+](CCO)C2)nn1 ZINC001107111115 776034380 /nfs/dbraw/zinc/03/43/80/776034380.db2.gz KZABSIPWROSJQW-UHFFFAOYSA-N 1 2 269.305 -1.610 20 0 CAADLO CNC(=O)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@]2(C)CCOC2)C1 ZINC001047576392 776034493 /nfs/dbraw/zinc/03/44/93/776034493.db2.gz IYSVJMLFCCOLDM-COPLHBTASA-N 1 2 299.371 -1.338 20 0 CAADLO CNC(=O)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@]2(C)CCOC2)C1 ZINC001047576392 776034501 /nfs/dbraw/zinc/03/45/01/776034501.db2.gz IYSVJMLFCCOLDM-COPLHBTASA-N 1 2 299.371 -1.338 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCOC2)C1 ZINC001047585008 776034753 /nfs/dbraw/zinc/03/47/53/776034753.db2.gz ILWKIZAUVXXQGG-ZNSHCXBVSA-N 1 2 285.344 -1.600 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCOC2)C1 ZINC001047585008 776034761 /nfs/dbraw/zinc/03/47/61/776034761.db2.gz ILWKIZAUVXXQGG-ZNSHCXBVSA-N 1 2 285.344 -1.600 20 0 CAADLO CN(C)C(=O)C[N@H+]1C[C@@H](NC(=O)[C@H]2C[C@H]2C(N)=O)[C@@H](O)C1 ZINC001083783327 776037638 /nfs/dbraw/zinc/03/76/38/776037638.db2.gz LURGPMDGLFFPHC-RGOKHQFPSA-N 1 2 298.343 -2.643 20 0 CAADLO CN(C)C(=O)C[N@@H+]1C[C@@H](NC(=O)[C@H]2C[C@H]2C(N)=O)[C@@H](O)C1 ZINC001083783327 776037641 /nfs/dbraw/zinc/03/76/41/776037641.db2.gz LURGPMDGLFFPHC-RGOKHQFPSA-N 1 2 298.343 -2.643 20 0 CAADLO CN(C)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001077598767 776040095 /nfs/dbraw/zinc/04/00/95/776040095.db2.gz CNQHYZMUTKTRIC-IWSPIJDZSA-N 1 2 299.331 -3.083 20 0 CAADLO CN(C)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001077598767 776040101 /nfs/dbraw/zinc/04/01/01/776040101.db2.gz CNQHYZMUTKTRIC-IWSPIJDZSA-N 1 2 299.331 -3.083 20 0 CAADLO Cc1nc(N(C)C)nc(NC/C=C/CNC(=O)C(N)=O)[nH+]1 ZINC001107480784 776042816 /nfs/dbraw/zinc/04/28/16/776042816.db2.gz TZXWMYOLDKIUJB-SNAWJCMRSA-N 1 2 293.331 -1.184 20 0 CAADLO O=C(N[C@@H]1C[N@@H+](C/C=C/Cl)C[C@H]1O)[C@@H]1CNC(=O)N1 ZINC001077600348 776043580 /nfs/dbraw/zinc/04/35/80/776043580.db2.gz ICHXMBZRISFUIH-PIXDULNESA-N 1 2 288.735 -1.418 20 0 CAADLO O=C(N[C@@H]1C[N@H+](C/C=C/Cl)C[C@H]1O)[C@@H]1CNC(=O)N1 ZINC001077600348 776043585 /nfs/dbraw/zinc/04/35/85/776043585.db2.gz ICHXMBZRISFUIH-PIXDULNESA-N 1 2 288.735 -1.418 20 0 CAADLO Cn1c[nH+]cc1CN1C[C@@H](O)[C@H](NC(=O)C(N)=O)C1 ZINC001077603695 776043673 /nfs/dbraw/zinc/04/36/73/776043673.db2.gz FOSUHKFPXNBOPO-RKDXNWHRSA-N 1 2 267.289 -2.433 20 0 CAADLO Cc1nc(N(C)C)nc(NC/C=C\CNC(=O)C(N)=O)[nH+]1 ZINC001107480783 776043767 /nfs/dbraw/zinc/04/37/67/776043767.db2.gz TZXWMYOLDKIUJB-PLNGDYQASA-N 1 2 293.331 -1.184 20 0 CAADLO Cc1ccncc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(N)=O)C1 ZINC001077603953 776044397 /nfs/dbraw/zinc/04/43/97/776044397.db2.gz SALLIYHQESIBID-GHMZBOCLSA-N 1 2 278.312 -1.463 20 0 CAADLO Cc1ccncc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)C(N)=O)C1 ZINC001077603953 776044399 /nfs/dbraw/zinc/04/43/99/776044399.db2.gz SALLIYHQESIBID-GHMZBOCLSA-N 1 2 278.312 -1.463 20 0 CAADLO NC(=O)C(=O)N[C@@H]1C[N@H+](Cc2ccc(F)cc2)C[C@H]1O ZINC001077603775 776044929 /nfs/dbraw/zinc/04/49/29/776044929.db2.gz IXHPAXZIZKLOON-GHMZBOCLSA-N 1 2 281.287 -1.028 20 0 CAADLO NC(=O)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(F)cc2)C[C@H]1O ZINC001077603775 776044937 /nfs/dbraw/zinc/04/49/37/776044937.db2.gz IXHPAXZIZKLOON-GHMZBOCLSA-N 1 2 281.287 -1.028 20 0 CAADLO Cc1cccnc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(N)=O)C1 ZINC001077604082 776045035 /nfs/dbraw/zinc/04/50/35/776045035.db2.gz ZVYOUGKTGSLXQW-GHMZBOCLSA-N 1 2 278.312 -1.463 20 0 CAADLO Cc1cccnc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)C(N)=O)C1 ZINC001077604082 776045041 /nfs/dbraw/zinc/04/50/41/776045041.db2.gz ZVYOUGKTGSLXQW-GHMZBOCLSA-N 1 2 278.312 -1.463 20 0 CAADLO CCc1noc(C)c1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(N)=O)C1 ZINC001077603771 776045189 /nfs/dbraw/zinc/04/51/89/776045189.db2.gz IUNQHBUKPQYKGS-GHMZBOCLSA-N 1 2 296.327 -1.308 20 0 CAADLO CCc1noc(C)c1C[N@H+]1C[C@@H](O)[C@H](NC(=O)C(N)=O)C1 ZINC001077603771 776045194 /nfs/dbraw/zinc/04/51/94/776045194.db2.gz IUNQHBUKPQYKGS-GHMZBOCLSA-N 1 2 296.327 -1.308 20 0 CAADLO Cc1noc(C)c1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(N)=O)C1 ZINC001077604074 776045276 /nfs/dbraw/zinc/04/52/76/776045276.db2.gz ZCMUXDVLDIFDAS-NXEZZACHSA-N 1 2 282.300 -1.562 20 0 CAADLO Cc1noc(C)c1C[N@H+]1C[C@@H](O)[C@H](NC(=O)C(N)=O)C1 ZINC001077604074 776045281 /nfs/dbraw/zinc/04/52/81/776045281.db2.gz ZCMUXDVLDIFDAS-NXEZZACHSA-N 1 2 282.300 -1.562 20 0 CAADLO NC(=O)C(=O)N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1O ZINC001077605938 776046440 /nfs/dbraw/zinc/04/64/40/776046440.db2.gz MOQOANSTVJEWSO-HTQZYQBOSA-N 1 2 285.304 -3.342 20 0 CAADLO NC(=O)C(=O)N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1O ZINC001077605938 776046447 /nfs/dbraw/zinc/04/64/47/776046447.db2.gz MOQOANSTVJEWSO-HTQZYQBOSA-N 1 2 285.304 -3.342 20 0 CAADLO COc1cccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C(N)=O)C2)c1 ZINC001077605131 776046796 /nfs/dbraw/zinc/04/67/96/776046796.db2.gz YMNSWDVKJOFDQD-VXGBXAGGSA-N 1 2 293.323 -1.158 20 0 CAADLO COc1cccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)C(N)=O)C2)c1 ZINC001077605131 776046802 /nfs/dbraw/zinc/04/68/02/776046802.db2.gz YMNSWDVKJOFDQD-VXGBXAGGSA-N 1 2 293.323 -1.158 20 0 CAADLO COC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2=NC(=O)N(C)C2)C1 ZINC001077619140 776048596 /nfs/dbraw/zinc/04/85/96/776048596.db2.gz AIGRMYNCSPSCIH-FXPVBKGRSA-N 1 2 298.343 -1.065 20 0 CAADLO COC[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)C2=NC(=O)N(C)C2)C1 ZINC001077619140 776048602 /nfs/dbraw/zinc/04/86/02/776048602.db2.gz AIGRMYNCSPSCIH-FXPVBKGRSA-N 1 2 298.343 -1.065 20 0 CAADLO NC(=O)C(=O)N[C@@H]1C[N@H+](Cc2ccsc2)C[C@H]1O ZINC001077607100 776048700 /nfs/dbraw/zinc/04/87/00/776048700.db2.gz RUHCIIYCHWDIFT-RKDXNWHRSA-N 1 2 269.326 -1.105 20 0 CAADLO NC(=O)C(=O)N[C@@H]1C[N@@H+](Cc2ccsc2)C[C@H]1O ZINC001077607100 776048702 /nfs/dbraw/zinc/04/87/02/776048702.db2.gz RUHCIIYCHWDIFT-RKDXNWHRSA-N 1 2 269.326 -1.105 20 0 CAADLO CC(=O)NC[C@]1(C)C[N@H+](CCN2C(=O)CNC2=O)CCO1 ZINC001107669690 776052034 /nfs/dbraw/zinc/05/20/34/776052034.db2.gz LSMQLRDDJZKALW-CYBMUJFWSA-N 1 2 298.343 -1.235 20 0 CAADLO CC(=O)NC[C@]1(C)C[N@@H+](CCN2C(=O)CNC2=O)CCO1 ZINC001107669690 776052044 /nfs/dbraw/zinc/05/20/44/776052044.db2.gz LSMQLRDDJZKALW-CYBMUJFWSA-N 1 2 298.343 -1.235 20 0 CAADLO CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1C[N@H+](CCF)C[C@@H]1O ZINC001083785338 776054463 /nfs/dbraw/zinc/05/44/63/776054463.db2.gz SQDJNXCFVMDWAQ-ZDCRXTMVSA-N 1 2 287.335 -1.159 20 0 CAADLO CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCF)C[C@@H]1O ZINC001083785338 776054468 /nfs/dbraw/zinc/05/44/68/776054468.db2.gz SQDJNXCFVMDWAQ-ZDCRXTMVSA-N 1 2 287.335 -1.159 20 0 CAADLO Cc1[nH+]c[nH]c1CC(=O)NCC[C@H](C)NC(=O)C(N)=O ZINC001077678802 776059112 /nfs/dbraw/zinc/05/91/12/776059112.db2.gz XEKBIEKNDZEODY-ZETCQYMHSA-N 1 2 281.316 -1.243 20 0 CAADLO Cc1ccn(CC(=O)N[C@@H]2C[N@H+]([C@@H](C)C(N)=O)C[C@H]2O)n1 ZINC001077693549 776060093 /nfs/dbraw/zinc/06/00/93/776060093.db2.gz XPGCZOUTVREUNH-HBNTYKKESA-N 1 2 295.343 -1.773 20 0 CAADLO Cc1ccn(CC(=O)N[C@@H]2C[N@@H+]([C@@H](C)C(N)=O)C[C@H]2O)n1 ZINC001077693549 776060100 /nfs/dbraw/zinc/06/01/00/776060100.db2.gz XPGCZOUTVREUNH-HBNTYKKESA-N 1 2 295.343 -1.773 20 0 CAADLO C[C@]1(CNC(=O)c2nccnc2N)C[N@H+](CCO)CCO1 ZINC001107827098 776063106 /nfs/dbraw/zinc/06/31/06/776063106.db2.gz HTIHMUYREGLJKJ-ZDUSSCGKSA-N 1 2 295.343 -1.128 20 0 CAADLO C[C@]1(CNC(=O)c2nccnc2N)C[N@@H+](CCO)CCO1 ZINC001107827098 776063115 /nfs/dbraw/zinc/06/31/15/776063115.db2.gz HTIHMUYREGLJKJ-ZDUSSCGKSA-N 1 2 295.343 -1.128 20 0 CAADLO C[C@]1(CNC(=O)CCc2nnc[nH]2)C[N@H+](CCO)CCO1 ZINC001107854210 776063877 /nfs/dbraw/zinc/06/38/77/776063877.db2.gz CDQNMMSLMREMJB-ZDUSSCGKSA-N 1 2 297.359 -1.063 20 0 CAADLO C[C@]1(CNC(=O)CCc2nnc[nH]2)C[N@@H+](CCO)CCO1 ZINC001107854210 776063881 /nfs/dbraw/zinc/06/38/81/776063881.db2.gz CDQNMMSLMREMJB-ZDUSSCGKSA-N 1 2 297.359 -1.063 20 0 CAADLO O=C(NC[C@H]1CC[N@@H+]1[C@H]1CCNC1=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001038608238 776064078 /nfs/dbraw/zinc/06/40/78/776064078.db2.gz PXLIWKHPBBZUPC-GCHJQGSQSA-N 1 2 279.340 -1.042 20 0 CAADLO O=C(NC[C@H]1CC[N@H+]1[C@H]1CCNC1=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001038608238 776064086 /nfs/dbraw/zinc/06/40/86/776064086.db2.gz PXLIWKHPBBZUPC-GCHJQGSQSA-N 1 2 279.340 -1.042 20 0 CAADLO CC[C@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccnnc2)C1 ZINC001077730146 776064340 /nfs/dbraw/zinc/06/43/40/776064340.db2.gz OZZVUIMLEMQJAN-GMTAPVOTSA-N 1 2 293.327 -1.485 20 0 CAADLO CC[C@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccnnc2)C1 ZINC001077730146 776064348 /nfs/dbraw/zinc/06/43/48/776064348.db2.gz OZZVUIMLEMQJAN-GMTAPVOTSA-N 1 2 293.327 -1.485 20 0 CAADLO Cc1c(C(=O)NC[C@]2(C)C[N@H+](CCO)CCO2)nnn1C ZINC001107837900 776064722 /nfs/dbraw/zinc/06/47/22/776064722.db2.gz PDMXVDZBDOYRQB-CYBMUJFWSA-N 1 2 297.359 -1.063 20 0 CAADLO Cc1c(C(=O)NC[C@]2(C)C[N@@H+](CCO)CCO2)nnn1C ZINC001107837900 776064725 /nfs/dbraw/zinc/06/47/25/776064725.db2.gz PDMXVDZBDOYRQB-CYBMUJFWSA-N 1 2 297.359 -1.063 20 0 CAADLO Cc1ccnn1CC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(N)=O)C[C@H]1O ZINC001077759167 776066103 /nfs/dbraw/zinc/06/61/03/776066103.db2.gz LIBVNRPBXXXQKC-HBNTYKKESA-N 1 2 295.343 -1.773 20 0 CAADLO Cc1ccnn1CC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(N)=O)C[C@H]1O ZINC001077759167 776066107 /nfs/dbraw/zinc/06/61/07/776066107.db2.gz LIBVNRPBXXXQKC-HBNTYKKESA-N 1 2 295.343 -1.773 20 0 CAADLO CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCS(=O)(=O)C2)C1 ZINC001077770718 776067614 /nfs/dbraw/zinc/06/76/14/776067614.db2.gz LAERVFMTNRQGTE-HBNTYKKESA-N 1 2 290.385 -1.008 20 0 CAADLO CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCS(=O)(=O)C2)C1 ZINC001077770718 776067624 /nfs/dbraw/zinc/06/76/24/776067624.db2.gz LAERVFMTNRQGTE-HBNTYKKESA-N 1 2 290.385 -1.008 20 0 CAADLO Cc1ccn(CC(=O)N[C@@H]2C[N@H+]([C@@H](C)C(N)=O)C[C@@H]2O)n1 ZINC001083787886 776068034 /nfs/dbraw/zinc/06/80/34/776068034.db2.gz XPGCZOUTVREUNH-AXFHLTTASA-N 1 2 295.343 -1.773 20 0 CAADLO Cc1ccn(CC(=O)N[C@@H]2C[N@@H+]([C@@H](C)C(N)=O)C[C@@H]2O)n1 ZINC001083787886 776068043 /nfs/dbraw/zinc/06/80/43/776068043.db2.gz XPGCZOUTVREUNH-AXFHLTTASA-N 1 2 295.343 -1.773 20 0 CAADLO CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCS(=O)(=O)C2)C1 ZINC001077770717 776068101 /nfs/dbraw/zinc/06/81/01/776068101.db2.gz LAERVFMTNRQGTE-GMTAPVOTSA-N 1 2 290.385 -1.008 20 0 CAADLO CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCS(=O)(=O)C2)C1 ZINC001077770717 776068112 /nfs/dbraw/zinc/06/81/12/776068112.db2.gz LAERVFMTNRQGTE-GMTAPVOTSA-N 1 2 290.385 -1.008 20 0 CAADLO CNC(=O)C[NH2+]Cc1nnc2n1CC[C@H](NC(C)=O)CC2 ZINC001127910304 776068958 /nfs/dbraw/zinc/06/89/58/776068958.db2.gz NAVXMGGXKRGZPP-SNVBAGLBSA-N 1 2 294.359 -1.045 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cscn2)C1 ZINC001077785705 776070413 /nfs/dbraw/zinc/07/04/13/776070413.db2.gz MCLJYOOZZDWTRS-FXBDTBDDSA-N 1 2 298.368 -1.279 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cscn2)C1 ZINC001077785705 776070416 /nfs/dbraw/zinc/07/04/16/776070416.db2.gz MCLJYOOZZDWTRS-FXBDTBDDSA-N 1 2 298.368 -1.279 20 0 CAADLO COCC(=O)N[C@@H](C)C(=O)NCC[NH2+]Cc1nc(C)no1 ZINC001127967228 776075583 /nfs/dbraw/zinc/07/55/83/776075583.db2.gz KOFXBYSAXMFHND-QMMMGPOBSA-N 1 2 299.331 -1.265 20 0 CAADLO COCC(=O)N[C@@H](C)C(=O)NCC[NH2+]Cc1nnc(C)o1 ZINC001127966878 776075662 /nfs/dbraw/zinc/07/56/62/776075662.db2.gz GSYHBLHELYRIBJ-QMMMGPOBSA-N 1 2 299.331 -1.265 20 0 CAADLO CC[C@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2nc(C)c[nH]2)C1 ZINC001077810872 776077283 /nfs/dbraw/zinc/07/72/83/776077283.db2.gz SNKJQZVQJNNMET-OPRDCNLKSA-N 1 2 295.343 -1.243 20 0 CAADLO CC[C@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2nc(C)c[nH]2)C1 ZINC001077810872 776077289 /nfs/dbraw/zinc/07/72/89/776077289.db2.gz SNKJQZVQJNNMET-OPRDCNLKSA-N 1 2 295.343 -1.243 20 0 CAADLO CCC(=O)N[C@@H](C)C(=O)NCC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001127984754 776077462 /nfs/dbraw/zinc/07/74/62/776077462.db2.gz IXJPBWKSQWKQRF-QMMMGPOBSA-N 1 2 298.347 -1.771 20 0 CAADLO COCC[NH+]1CC(N(C)C(=O)CN2CCOCC2=O)C1 ZINC001042934088 776080716 /nfs/dbraw/zinc/08/07/16/776080716.db2.gz ZYZFTPOEDSMFPS-UHFFFAOYSA-N 1 2 285.344 -1.366 20 0 CAADLO CC(=O)N[C@@H]1CC[N@H+](CC(=O)NC(=O)NC2CC2)C[C@H]1O ZINC001099610041 776084593 /nfs/dbraw/zinc/08/45/93/776084593.db2.gz HNADJJSWCFCHBD-GHMZBOCLSA-N 1 2 298.343 -1.454 20 0 CAADLO CC(=O)N[C@@H]1CC[N@@H+](CC(=O)NC(=O)NC2CC2)C[C@H]1O ZINC001099610041 776084600 /nfs/dbraw/zinc/08/46/00/776084600.db2.gz HNADJJSWCFCHBD-GHMZBOCLSA-N 1 2 298.343 -1.454 20 0 CAADLO NC(=O)NC(=O)C[N@@H+]1CC[C@H](NC(=O)CC2CC2)[C@@H](O)C1 ZINC001099611570 776084767 /nfs/dbraw/zinc/08/47/67/776084767.db2.gz UBMRRXNEJHDMGG-UWVGGRQHSA-N 1 2 298.343 -1.467 20 0 CAADLO NC(=O)NC(=O)C[N@H+]1CC[C@H](NC(=O)CC2CC2)[C@@H](O)C1 ZINC001099611570 776084774 /nfs/dbraw/zinc/08/47/74/776084774.db2.gz UBMRRXNEJHDMGG-UWVGGRQHSA-N 1 2 298.343 -1.467 20 0 CAADLO COCCCNC(=O)C[N@@H+]1CC[C@H](NC(C)=O)[C@@H](O)C1 ZINC001099611519 776085150 /nfs/dbraw/zinc/08/51/50/776085150.db2.gz SAESGOOJBSKNFQ-RYUDHWBXSA-N 1 2 287.360 -1.290 20 0 CAADLO COCCCNC(=O)C[N@H+]1CC[C@H](NC(C)=O)[C@@H](O)C1 ZINC001099611519 776085158 /nfs/dbraw/zinc/08/51/58/776085158.db2.gz SAESGOOJBSKNFQ-RYUDHWBXSA-N 1 2 287.360 -1.290 20 0 CAADLO NC(=O)NC(=O)C[N@@H+]1CC[C@H](NC(=O)CC2CC2)[C@H](O)C1 ZINC001099611571 776085730 /nfs/dbraw/zinc/08/57/30/776085730.db2.gz UBMRRXNEJHDMGG-VHSXEESVSA-N 1 2 298.343 -1.467 20 0 CAADLO NC(=O)NC(=O)C[N@H+]1CC[C@H](NC(=O)CC2CC2)[C@H](O)C1 ZINC001099611571 776085734 /nfs/dbraw/zinc/08/57/34/776085734.db2.gz UBMRRXNEJHDMGG-VHSXEESVSA-N 1 2 298.343 -1.467 20 0 CAADLO O=C(C[C@@H]1CCC(=O)N1)N[C@@H]1C[N@@H+](CCF)C[C@H]1O ZINC001077826364 776086605 /nfs/dbraw/zinc/08/66/05/776086605.db2.gz FODJKMIBJQRZBN-IVZWLZJFSA-N 1 2 273.308 -1.214 20 0 CAADLO O=C(C[C@@H]1CCC(=O)N1)N[C@@H]1C[N@H+](CCF)C[C@H]1O ZINC001077826364 776086614 /nfs/dbraw/zinc/08/66/14/776086614.db2.gz FODJKMIBJQRZBN-IVZWLZJFSA-N 1 2 273.308 -1.214 20 0 CAADLO CCCNC(=O)C[N@@H+]1CC[C@H](NC(=O)COC)[C@H](O)C1 ZINC001099613702 776086958 /nfs/dbraw/zinc/08/69/58/776086958.db2.gz MBMVUUJKOZNBOC-WDEREUQCSA-N 1 2 287.360 -1.290 20 0 CAADLO CCCNC(=O)C[N@H+]1CC[C@H](NC(=O)COC)[C@H](O)C1 ZINC001099613702 776086967 /nfs/dbraw/zinc/08/69/67/776086967.db2.gz MBMVUUJKOZNBOC-WDEREUQCSA-N 1 2 287.360 -1.290 20 0 CAADLO O=C(C[C@H]1CCC(=O)N1)N[C@@H]1C[N@@H+](CCF)C[C@H]1O ZINC001077826365 776087115 /nfs/dbraw/zinc/08/71/15/776087115.db2.gz FODJKMIBJQRZBN-OPRDCNLKSA-N 1 2 273.308 -1.214 20 0 CAADLO O=C(C[C@H]1CCC(=O)N1)N[C@@H]1C[N@H+](CCF)C[C@H]1O ZINC001077826365 776087119 /nfs/dbraw/zinc/08/71/19/776087119.db2.gz FODJKMIBJQRZBN-OPRDCNLKSA-N 1 2 273.308 -1.214 20 0 CAADLO CCCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)COC)[C@H](O)C1 ZINC001099613699 776087515 /nfs/dbraw/zinc/08/75/15/776087515.db2.gz MBMVUUJKOZNBOC-GHMZBOCLSA-N 1 2 287.360 -1.290 20 0 CAADLO CCCNC(=O)C[N@H+]1CC[C@@H](NC(=O)COC)[C@H](O)C1 ZINC001099613699 776087519 /nfs/dbraw/zinc/08/75/19/776087519.db2.gz MBMVUUJKOZNBOC-GHMZBOCLSA-N 1 2 287.360 -1.290 20 0 CAADLO O=C(N[C@@H]1C[N@@H+](CCF)C[C@H]1O)C1CC(=O)NC(=O)C1 ZINC001077833225 776089039 /nfs/dbraw/zinc/08/90/39/776089039.db2.gz ASTNGBUFFVHAGM-RKDXNWHRSA-N 1 2 287.291 -1.830 20 0 CAADLO O=C(N[C@@H]1C[N@H+](CCF)C[C@H]1O)C1CC(=O)NC(=O)C1 ZINC001077833225 776089045 /nfs/dbraw/zinc/08/90/45/776089045.db2.gz ASTNGBUFFVHAGM-RKDXNWHRSA-N 1 2 287.291 -1.830 20 0 CAADLO NC(=O)c1ccc(C(=O)N[C@@H]2C[N@H+](CCO)C[C@H]2O)s1 ZINC001077831638 776089410 /nfs/dbraw/zinc/08/94/10/776089410.db2.gz UEHWDBOONQSEFF-HTQZYQBOSA-N 1 2 299.352 -1.386 20 0 CAADLO NC(=O)c1ccc(C(=O)N[C@@H]2C[N@@H+](CCO)C[C@H]2O)s1 ZINC001077831638 776089419 /nfs/dbraw/zinc/08/94/19/776089419.db2.gz UEHWDBOONQSEFF-HTQZYQBOSA-N 1 2 299.352 -1.386 20 0 CAADLO COCC(=O)N[C@@H]1CC[N@H+](CC(=O)NC2CC2)C[C@@H]1O ZINC001099617941 776090615 /nfs/dbraw/zinc/09/06/15/776090615.db2.gz MOROEOYGDRRJHH-MNOVXSKESA-N 1 2 285.344 -1.537 20 0 CAADLO COCC(=O)N[C@@H]1CC[N@@H+](CC(=O)NC2CC2)C[C@@H]1O ZINC001099617941 776090623 /nfs/dbraw/zinc/09/06/23/776090623.db2.gz MOROEOYGDRRJHH-MNOVXSKESA-N 1 2 285.344 -1.537 20 0 CAADLO COCC(=O)N[C@@H]1CC[N@H+](CC(=O)NCC2CC2)C[C@H]1O ZINC001099616421 776091678 /nfs/dbraw/zinc/09/16/78/776091678.db2.gz DHMSPBSBRWNFSG-VXGBXAGGSA-N 1 2 299.371 -1.290 20 0 CAADLO COCC(=O)N[C@@H]1CC[N@@H+](CC(=O)NCC2CC2)C[C@H]1O ZINC001099616421 776091684 /nfs/dbraw/zinc/09/16/84/776091684.db2.gz DHMSPBSBRWNFSG-VXGBXAGGSA-N 1 2 299.371 -1.290 20 0 CAADLO COC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ncn[nH]2)C1 ZINC001077861510 776093417 /nfs/dbraw/zinc/09/34/17/776093417.db2.gz JYRPLUAHKVBWDZ-IWSPIJDZSA-N 1 2 269.305 -1.386 20 0 CAADLO COC[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2nc[nH]n2)C1 ZINC001077861510 776093442 /nfs/dbraw/zinc/09/34/42/776093442.db2.gz JYRPLUAHKVBWDZ-IWSPIJDZSA-N 1 2 269.305 -1.386 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2ccco2)C1 ZINC001077873795 776097270 /nfs/dbraw/zinc/09/72/70/776097270.db2.gz BMEPVRIJBVCMNM-FBIMIBRVSA-N 1 2 281.312 -1.143 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2ccco2)C1 ZINC001077873795 776097275 /nfs/dbraw/zinc/09/72/75/776097275.db2.gz BMEPVRIJBVCMNM-FBIMIBRVSA-N 1 2 281.312 -1.143 20 0 CAADLO CC[C@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2ncc[nH]2)C1 ZINC001077896957 776099749 /nfs/dbraw/zinc/09/97/49/776099749.db2.gz BBMVXYZSFXNZOI-OPRDCNLKSA-N 1 2 295.343 -1.623 20 0 CAADLO CC[C@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2ncc[nH]2)C1 ZINC001077896957 776099756 /nfs/dbraw/zinc/09/97/56/776099756.db2.gz BBMVXYZSFXNZOI-OPRDCNLKSA-N 1 2 295.343 -1.623 20 0 CAADLO O=C(Cc1ncc[nH]1)N[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@H]1O ZINC001077900725 776099783 /nfs/dbraw/zinc/09/97/83/776099783.db2.gz KXSMVQZTKCGXLN-OPRDCNLKSA-N 1 2 293.327 -1.998 20 0 CAADLO O=C(Cc1ncc[nH]1)N[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@H]1O ZINC001077900725 776099793 /nfs/dbraw/zinc/09/97/93/776099793.db2.gz KXSMVQZTKCGXLN-OPRDCNLKSA-N 1 2 293.327 -1.998 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2ncc[nH]2)C1 ZINC001077897283 776099811 /nfs/dbraw/zinc/09/98/11/776099811.db2.gz RUYAOHPZTWKOEG-OPRDCNLKSA-N 1 2 295.343 -1.752 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2ncc[nH]2)C1 ZINC001077897283 776099815 /nfs/dbraw/zinc/09/98/15/776099815.db2.gz RUYAOHPZTWKOEG-OPRDCNLKSA-N 1 2 295.343 -1.752 20 0 CAADLO O=C(Cc1ncc[nH]1)N[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@H]1O ZINC001077900724 776100074 /nfs/dbraw/zinc/10/00/74/776100074.db2.gz KXSMVQZTKCGXLN-KXUCPTDWSA-N 1 2 293.327 -1.998 20 0 CAADLO O=C(Cc1ncc[nH]1)N[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@H]1O ZINC001077900724 776100089 /nfs/dbraw/zinc/10/00/89/776100089.db2.gz KXSMVQZTKCGXLN-KXUCPTDWSA-N 1 2 293.327 -1.998 20 0 CAADLO COCCC(=O)N[C@@H]1CC[N@H+](CC(=O)NC2CC2)C[C@H]1O ZINC001099619860 776100338 /nfs/dbraw/zinc/10/03/38/776100338.db2.gz FTIKCZYVGFULLA-VXGBXAGGSA-N 1 2 299.371 -1.147 20 0 CAADLO COCCC(=O)N[C@@H]1CC[N@@H+](CC(=O)NC2CC2)C[C@H]1O ZINC001099619860 776100347 /nfs/dbraw/zinc/10/03/47/776100347.db2.gz FTIKCZYVGFULLA-VXGBXAGGSA-N 1 2 299.371 -1.147 20 0 CAADLO O=C(NCC[NH2+]Cc1ccon1)C1CS(=O)(=O)C1 ZINC001128105093 776101880 /nfs/dbraw/zinc/10/18/80/776101880.db2.gz SOVFKLVXLXKQQA-UHFFFAOYSA-N 1 2 273.314 -1.075 20 0 CAADLO O=C(NCC[NH2+]Cc1csnn1)C1CS(=O)(=O)C1 ZINC001128108023 776103364 /nfs/dbraw/zinc/10/33/64/776103364.db2.gz GSYQAOSAKGBCMD-UHFFFAOYSA-N 1 2 290.370 -1.212 20 0 CAADLO Cn1ncnc1C[NH2+]CCNC(=O)C1CS(=O)(=O)C1 ZINC001128108467 776103446 /nfs/dbraw/zinc/10/34/46/776103446.db2.gz PSOLITSSYGLYGO-UHFFFAOYSA-N 1 2 287.345 -1.935 20 0 CAADLO O=C(NCC[NH2+]Cc1cnon1)C1CS(=O)(=O)C1 ZINC001128104504 776103515 /nfs/dbraw/zinc/10/35/15/776103515.db2.gz MKUBTZLAFQZVLV-UHFFFAOYSA-N 1 2 274.302 -1.680 20 0 CAADLO Cc1nonc1C[NH2+]CCNC(=O)C1CS(=O)(=O)C1 ZINC001128108077 776103564 /nfs/dbraw/zinc/10/35/64/776103564.db2.gz JPPUFWCKQNWWMQ-UHFFFAOYSA-N 1 2 288.329 -1.372 20 0 CAADLO CCNC(=O)CC(=O)NC[C@@H]1COCC[N@@H+]1CCCO ZINC001272850116 776104171 /nfs/dbraw/zinc/10/41/71/776104171.db2.gz CSARQJAFRRIYSJ-LLVKDONJSA-N 1 2 287.360 -1.288 20 0 CAADLO CCNC(=O)CC(=O)NC[C@@H]1COCC[N@H+]1CCCO ZINC001272850116 776104178 /nfs/dbraw/zinc/10/41/78/776104178.db2.gz CSARQJAFRRIYSJ-LLVKDONJSA-N 1 2 287.360 -1.288 20 0 CAADLO C[C@@H](O)C[N@@H+]1CCOC[C@@H]1CNC(=O)CC(N)=O ZINC001272843533 776104315 /nfs/dbraw/zinc/10/43/15/776104315.db2.gz SPWDOHTXDOTKQZ-BDAKNGLRSA-N 1 2 259.306 -1.940 20 0 CAADLO C[C@@H](O)C[N@H+]1CCOC[C@@H]1CNC(=O)CC(N)=O ZINC001272843533 776104318 /nfs/dbraw/zinc/10/43/18/776104318.db2.gz SPWDOHTXDOTKQZ-BDAKNGLRSA-N 1 2 259.306 -1.940 20 0 CAADLO CCNC(=O)CC(=O)NC[C@H]1COCC[N@@H+]1CCCO ZINC001272850117 776104324 /nfs/dbraw/zinc/10/43/24/776104324.db2.gz CSARQJAFRRIYSJ-NSHDSACASA-N 1 2 287.360 -1.288 20 0 CAADLO CCNC(=O)CC(=O)NC[C@H]1COCC[N@H+]1CCCO ZINC001272850117 776104326 /nfs/dbraw/zinc/10/43/26/776104326.db2.gz CSARQJAFRRIYSJ-NSHDSACASA-N 1 2 287.360 -1.288 20 0 CAADLO C[C@@H](O)C[N@@H+]1CCOC[C@H]1CNC(=O)CC(N)=O ZINC001272843536 776104339 /nfs/dbraw/zinc/10/43/39/776104339.db2.gz SPWDOHTXDOTKQZ-RKDXNWHRSA-N 1 2 259.306 -1.940 20 0 CAADLO C[C@@H](O)C[N@H+]1CCOC[C@H]1CNC(=O)CC(N)=O ZINC001272843536 776104341 /nfs/dbraw/zinc/10/43/41/776104341.db2.gz SPWDOHTXDOTKQZ-RKDXNWHRSA-N 1 2 259.306 -1.940 20 0 CAADLO O=C(NCC[NH2+]Cc1ncccn1)C1CS(=O)(=O)C1 ZINC001128108577 776105187 /nfs/dbraw/zinc/10/51/87/776105187.db2.gz TTZZWHLVSXTLOJ-UHFFFAOYSA-N 1 2 284.341 -1.273 20 0 CAADLO NC(=O)C(=O)NC[C@H]1COCC[N@@H+]1CC1CCOCC1 ZINC001272885726 776106972 /nfs/dbraw/zinc/10/69/72/776106972.db2.gz PWKLZKFPKPNRJF-NSHDSACASA-N 1 2 285.344 -1.285 20 0 CAADLO NC(=O)C(=O)NC[C@H]1COCC[N@H+]1CC1CCOCC1 ZINC001272885726 776106976 /nfs/dbraw/zinc/10/69/76/776106976.db2.gz PWKLZKFPKPNRJF-NSHDSACASA-N 1 2 285.344 -1.285 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2nc[nH]n2)C1 ZINC001077976737 776109662 /nfs/dbraw/zinc/10/96/62/776109662.db2.gz SSUKYWFDCUYRIV-IWSPIJDZSA-N 1 2 296.331 -2.357 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2nc[nH]n2)C1 ZINC001077976737 776109669 /nfs/dbraw/zinc/10/96/69/776109669.db2.gz SSUKYWFDCUYRIV-IWSPIJDZSA-N 1 2 296.331 -2.357 20 0 CAADLO CC[N@H+]1CCOC[C@H]1CNC(=O)CN1C(=O)CCC1=O ZINC001272901581 776110453 /nfs/dbraw/zinc/11/04/53/776110453.db2.gz KNYQEQJIHCYAGD-SNVBAGLBSA-N 1 2 283.328 -1.028 20 0 CAADLO CC[N@@H+]1CCOC[C@H]1CNC(=O)CN1C(=O)CCC1=O ZINC001272901581 776110449 /nfs/dbraw/zinc/11/04/49/776110449.db2.gz KNYQEQJIHCYAGD-SNVBAGLBSA-N 1 2 283.328 -1.028 20 0 CAADLO C[C@@H](CCNC(=O)Cc1[nH]cc[nH+]1)NC(=O)C(N)=O ZINC001078036464 776113680 /nfs/dbraw/zinc/11/36/80/776113680.db2.gz VYLWWVPDUFXETI-ZETCQYMHSA-N 1 2 267.289 -1.552 20 0 CAADLO C[C@@H](CCNC(=O)Cc1[nH]cc[nH+]1)NC(=O)CC(N)=O ZINC001078034099 776114407 /nfs/dbraw/zinc/11/44/07/776114407.db2.gz NPRWZLVDAJARCW-QMMMGPOBSA-N 1 2 281.316 -1.161 20 0 CAADLO CCCC(=O)N[C@@H]1CC[N@H+](CC(=O)NC(N)=O)C[C@H]1O ZINC001099628282 776117253 /nfs/dbraw/zinc/11/72/53/776117253.db2.gz ZEPZKCVYEYBLDB-RKDXNWHRSA-N 1 2 286.332 -1.467 20 0 CAADLO CCCC(=O)N[C@@H]1CC[N@@H+](CC(=O)NC(N)=O)C[C@H]1O ZINC001099628282 776117256 /nfs/dbraw/zinc/11/72/56/776117256.db2.gz ZEPZKCVYEYBLDB-RKDXNWHRSA-N 1 2 286.332 -1.467 20 0 CAADLO C[C@@H](CCNC(=O)C(N)=O)NC(=O)CCc1[nH+]ccn1C ZINC001078116406 776121095 /nfs/dbraw/zinc/12/10/95/776121095.db2.gz XOASEVWGFCQSDG-VIFPVBQESA-N 1 2 295.343 -1.151 20 0 CAADLO C[C@@H](CCNC(=O)C(N)=O)NC(=O)Cc1c[nH+]cn1C ZINC001078116014 776121583 /nfs/dbraw/zinc/12/15/83/776121583.db2.gz HAYJQACFHNDEJT-QMMMGPOBSA-N 1 2 281.316 -1.541 20 0 CAADLO C[C@@H](CCNC(=O)C(N)=O)NC(=O)Cc1c[nH]c[nH+]1 ZINC001078119525 776124361 /nfs/dbraw/zinc/12/43/61/776124361.db2.gz ULWCQNJJYOTIHT-ZETCQYMHSA-N 1 2 267.289 -1.552 20 0 CAADLO C[C@@H](CCNC(=O)C(N)=O)NC(=O)CCc1c[nH]c[nH+]1 ZINC001078121295 776124681 /nfs/dbraw/zinc/12/46/81/776124681.db2.gz ACRYUFDTRMXQSM-QMMMGPOBSA-N 1 2 281.316 -1.161 20 0 CAADLO C[C@@H](CCNC(=O)C(N)=O)NC(=O)CCc1c[nH+]c[nH]1 ZINC001078121295 776124686 /nfs/dbraw/zinc/12/46/86/776124686.db2.gz ACRYUFDTRMXQSM-QMMMGPOBSA-N 1 2 281.316 -1.161 20 0 CAADLO O=C(CN1C(=O)CCC1=O)N[C@@H]1C[N@@H+](CCF)C[C@H]1O ZINC001078150784 776125314 /nfs/dbraw/zinc/12/53/14/776125314.db2.gz QFZIFZBVFFLPQC-RKDXNWHRSA-N 1 2 287.291 -1.734 20 0 CAADLO O=C(CN1C(=O)CCC1=O)N[C@@H]1C[N@H+](CCF)C[C@H]1O ZINC001078150784 776125321 /nfs/dbraw/zinc/12/53/21/776125321.db2.gz QFZIFZBVFFLPQC-RKDXNWHRSA-N 1 2 287.291 -1.734 20 0 CAADLO CN(C)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cncn2)C1 ZINC001078141341 776125663 /nfs/dbraw/zinc/12/56/63/776125663.db2.gz ZAIZPOVBSAXOQC-NXEZZACHSA-N 1 2 296.331 -2.472 20 0 CAADLO CN(C)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cncn2)C1 ZINC001078141341 776125669 /nfs/dbraw/zinc/12/56/69/776125669.db2.gz ZAIZPOVBSAXOQC-NXEZZACHSA-N 1 2 296.331 -2.472 20 0 CAADLO O=C(Cn1cncn1)N[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@H]1O ZINC001078141199 776125735 /nfs/dbraw/zinc/12/57/35/776125735.db2.gz RBPUHKAARGVHQB-KXUCPTDWSA-N 1 2 294.315 -2.672 20 0 CAADLO O=C(Cn1cncn1)N[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@H]1O ZINC001078141199 776125740 /nfs/dbraw/zinc/12/57/40/776125740.db2.gz RBPUHKAARGVHQB-KXUCPTDWSA-N 1 2 294.315 -2.672 20 0 CAADLO CC[C@@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cncn2)C1 ZINC001078139891 776125763 /nfs/dbraw/zinc/12/57/63/776125763.db2.gz MSRQHHVWGXXSBQ-KXUCPTDWSA-N 1 2 296.331 -2.297 20 0 CAADLO CC[C@@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cncn2)C1 ZINC001078139891 776125769 /nfs/dbraw/zinc/12/57/69/776125769.db2.gz MSRQHHVWGXXSBQ-KXUCPTDWSA-N 1 2 296.331 -2.297 20 0 CAADLO O=C(Cn1cncn1)N[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@H]1O ZINC001078141200 776125810 /nfs/dbraw/zinc/12/58/10/776125810.db2.gz RBPUHKAARGVHQB-OPRDCNLKSA-N 1 2 294.315 -2.672 20 0 CAADLO O=C(Cn1cncn1)N[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@H]1O ZINC001078141200 776125814 /nfs/dbraw/zinc/12/58/14/776125814.db2.gz RBPUHKAARGVHQB-OPRDCNLKSA-N 1 2 294.315 -2.672 20 0 CAADLO Cc1c[nH]cc1C(=O)N[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@H]1O ZINC001078177041 776127588 /nfs/dbraw/zinc/12/75/88/776127588.db2.gz RQZZQLUASQPCGB-GRYCIOLGSA-N 1 2 292.339 -1.013 20 0 CAADLO Cc1c[nH]cc1C(=O)N[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@H]1O ZINC001078177041 776127598 /nfs/dbraw/zinc/12/75/98/776127598.db2.gz RQZZQLUASQPCGB-GRYCIOLGSA-N 1 2 292.339 -1.013 20 0 CAADLO O=C(CN1C(=O)CNC1=O)N[C@@H]1C[N@@H+](CCF)C[C@H]1O ZINC001078144526 776127931 /nfs/dbraw/zinc/12/79/31/776127931.db2.gz TXBDZGIDQPPYHO-HTQZYQBOSA-N 1 2 288.279 -2.331 20 0 CAADLO O=C(CN1C(=O)CNC1=O)N[C@@H]1C[N@H+](CCF)C[C@H]1O ZINC001078144526 776127939 /nfs/dbraw/zinc/12/79/39/776127939.db2.gz TXBDZGIDQPPYHO-HTQZYQBOSA-N 1 2 288.279 -2.331 20 0 CAADLO O=C(Cn1ccccc1=O)N[C@@H]1C[N@@H+](CCF)C[C@H]1O ZINC001078158900 776128145 /nfs/dbraw/zinc/12/81/45/776128145.db2.gz BMWXLWPMUYZFBM-GHMZBOCLSA-N 1 2 283.303 -1.021 20 0 CAADLO O=C(Cn1ccccc1=O)N[C@@H]1C[N@H+](CCF)C[C@H]1O ZINC001078158900 776128150 /nfs/dbraw/zinc/12/81/50/776128150.db2.gz BMWXLWPMUYZFBM-GHMZBOCLSA-N 1 2 283.303 -1.021 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2ccc[nH]2)C1 ZINC001078211014 776133625 /nfs/dbraw/zinc/13/36/25/776133625.db2.gz JAIYTBGVUAWACM-MVWJERBFSA-N 1 2 294.355 -1.147 20 0 CAADLO CNC(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2ccc[nH]2)C1 ZINC001078211014 776133631 /nfs/dbraw/zinc/13/36/31/776133631.db2.gz JAIYTBGVUAWACM-MVWJERBFSA-N 1 2 294.355 -1.147 20 0 CAADLO C[C@@H](C(N)=O)N1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001078270783 776134573 /nfs/dbraw/zinc/13/45/73/776134573.db2.gz OCVLWYFPUQYPSX-IVZWLZJFSA-N 1 2 281.316 -2.082 20 0 CAADLO O=C(N[C@@H]1C[N@@H+](CCF)C[C@H]1O)[C@@H]1CCc2nncn2C1 ZINC001078223933 776135045 /nfs/dbraw/zinc/13/50/45/776135045.db2.gz VBAFOHXXZJAPRW-GMTAPVOTSA-N 1 2 297.334 -1.029 20 0 CAADLO O=C(N[C@@H]1C[N@H+](CCF)C[C@H]1O)[C@@H]1CCc2nncn2C1 ZINC001078223933 776135050 /nfs/dbraw/zinc/13/50/50/776135050.db2.gz VBAFOHXXZJAPRW-GMTAPVOTSA-N 1 2 297.334 -1.029 20 0 CAADLO O=C(N[C@@H]1C[N@@H+](CCF)C[C@H]1O)[C@H]1CCc2nncn2C1 ZINC001078223934 776135264 /nfs/dbraw/zinc/13/52/64/776135264.db2.gz VBAFOHXXZJAPRW-HBNTYKKESA-N 1 2 297.334 -1.029 20 0 CAADLO O=C(N[C@@H]1C[N@H+](CCF)C[C@H]1O)[C@H]1CCc2nncn2C1 ZINC001078223934 776135273 /nfs/dbraw/zinc/13/52/73/776135273.db2.gz VBAFOHXXZJAPRW-HBNTYKKESA-N 1 2 297.334 -1.029 20 0 CAADLO CNC(=O)CN1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001078270285 776135861 /nfs/dbraw/zinc/13/58/61/776135861.db2.gz MLDXHZCSYBZPOR-NXEZZACHSA-N 1 2 281.316 -2.210 20 0 CAADLO O=C(C[C@H]1CC(=O)NC1=O)N[C@@H]1C[N@@H+](CCF)C[C@H]1O ZINC001078289698 776138349 /nfs/dbraw/zinc/13/83/49/776138349.db2.gz ZJSRGODWXUIVBJ-DJLDLDEBSA-N 1 2 287.291 -1.830 20 0 CAADLO O=C(C[C@H]1CC(=O)NC1=O)N[C@@H]1C[N@H+](CCF)C[C@H]1O ZINC001078289698 776138350 /nfs/dbraw/zinc/13/83/50/776138350.db2.gz ZJSRGODWXUIVBJ-DJLDLDEBSA-N 1 2 287.291 -1.830 20 0 CAADLO Cc1noc(C[NH2+]C[C@H]2CN(C(=O)C(N)=O)CCCO2)n1 ZINC001078456779 776141734 /nfs/dbraw/zinc/14/17/34/776141734.db2.gz HAKXRYOYZZQKMF-VIFPVBQESA-N 1 2 297.315 -1.430 20 0 CAADLO Cc1noc(C[NH2+]C[C@@H]2CN(C(=O)C(N)=O)CCCO2)n1 ZINC001078456778 776141753 /nfs/dbraw/zinc/14/17/53/776141753.db2.gz HAKXRYOYZZQKMF-SECBINFHSA-N 1 2 297.315 -1.430 20 0 CAADLO Cn1nnc(C[NH2+][C@@H]2C[C@@H](NC(=O)C(N)=O)C23CCC3)n1 ZINC001078713045 776144934 /nfs/dbraw/zinc/14/49/34/776144934.db2.gz LCOOQCWMLBTUOL-HTQZYQBOSA-N 1 2 293.331 -1.788 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cccnc2)[C@@H](O)C1 ZINC001089973682 776147658 /nfs/dbraw/zinc/14/76/58/776147658.db2.gz QNFGCUNVGQSRDU-NEPJUHHUSA-N 1 2 292.339 -1.007 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cccnc2)[C@@H](O)C1 ZINC001089973682 776147667 /nfs/dbraw/zinc/14/76/67/776147667.db2.gz QNFGCUNVGQSRDU-NEPJUHHUSA-N 1 2 292.339 -1.007 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cccnc2)[C@H](O)C1 ZINC001089973695 776149671 /nfs/dbraw/zinc/14/96/71/776149671.db2.gz QNFGCUNVGQSRDU-VXGBXAGGSA-N 1 2 292.339 -1.007 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cccnc2)[C@H](O)C1 ZINC001089973695 776149677 /nfs/dbraw/zinc/14/96/77/776149677.db2.gz QNFGCUNVGQSRDU-VXGBXAGGSA-N 1 2 292.339 -1.007 20 0 CAADLO CC(=O)N[C@H]1CC[N@H+](CC(=O)NC2CC2)C[C@H]1O ZINC001089975048 776149970 /nfs/dbraw/zinc/14/99/70/776149970.db2.gz DCRJKYYDIWPOMG-WDEREUQCSA-N 1 2 255.318 -1.164 20 0 CAADLO CC(=O)N[C@H]1CC[N@@H+](CC(=O)NC2CC2)C[C@H]1O ZINC001089975048 776149975 /nfs/dbraw/zinc/14/99/75/776149975.db2.gz DCRJKYYDIWPOMG-WDEREUQCSA-N 1 2 255.318 -1.164 20 0 CAADLO CC(=O)N[C@@H]1CC[N@H+](CC(=O)NC2CCOCC2)C[C@H]1O ZINC001089974877 776150082 /nfs/dbraw/zinc/15/00/82/776150082.db2.gz BKOMPHOBRBAXFZ-CHWSQXEVSA-N 1 2 299.371 -1.147 20 0 CAADLO CC(=O)N[C@@H]1CC[N@@H+](CC(=O)NC2CCOCC2)C[C@H]1O ZINC001089974877 776150087 /nfs/dbraw/zinc/15/00/87/776150087.db2.gz BKOMPHOBRBAXFZ-CHWSQXEVSA-N 1 2 299.371 -1.147 20 0 CAADLO Cc1nonc1C[NH2+][C@@H]1CN(C(=O)C(N)=O)C[C@@H]1C ZINC001055019999 776150099 /nfs/dbraw/zinc/15/00/99/776150099.db2.gz IBRVEQXFEAGMJD-IMTBSYHQSA-N 1 2 267.289 -1.200 20 0 CAADLO Cc1nonc1C[NH2+][C@H]1CN(C(=O)C(N)=O)C[C@@H]1C ZINC001055020001 776150174 /nfs/dbraw/zinc/15/01/74/776150174.db2.gz IBRVEQXFEAGMJD-RCOVLWMOSA-N 1 2 267.289 -1.200 20 0 CAADLO CC(=O)N[C@@H]1CC[N@H+](CC(=O)N2CCNC(=O)C2)C[C@@H]1O ZINC001089977063 776150897 /nfs/dbraw/zinc/15/08/97/776150897.db2.gz RYLISPVFQGCQBI-MNOVXSKESA-N 1 2 298.343 -2.484 20 0 CAADLO CC(=O)N[C@@H]1CC[N@@H+](CC(=O)N2CCNC(=O)C2)C[C@@H]1O ZINC001089977063 776150904 /nfs/dbraw/zinc/15/09/04/776150904.db2.gz RYLISPVFQGCQBI-MNOVXSKESA-N 1 2 298.343 -2.484 20 0 CAADLO CC(=O)N[C@H]1CC[N@H+](CC(=O)N2CCNC(=O)C2)C[C@@H]1O ZINC001089977064 776151061 /nfs/dbraw/zinc/15/10/61/776151061.db2.gz RYLISPVFQGCQBI-QWRGUYRKSA-N 1 2 298.343 -2.484 20 0 CAADLO CC(=O)N[C@H]1CC[N@@H+](CC(=O)N2CCNC(=O)C2)C[C@@H]1O ZINC001089977064 776151068 /nfs/dbraw/zinc/15/10/68/776151068.db2.gz RYLISPVFQGCQBI-QWRGUYRKSA-N 1 2 298.343 -2.484 20 0 CAADLO CCOCC(=O)N[C@@H]1CC[N@H+](Cc2cnnn2C)C[C@H]1O ZINC001099645918 776151305 /nfs/dbraw/zinc/15/13/05/776151305.db2.gz ZMGIBLQPELIEOR-VXGBXAGGSA-N 1 2 297.359 -1.097 20 0 CAADLO CCOCC(=O)N[C@@H]1CC[N@@H+](Cc2cnnn2C)C[C@H]1O ZINC001099645918 776151311 /nfs/dbraw/zinc/15/13/11/776151311.db2.gz ZMGIBLQPELIEOR-VXGBXAGGSA-N 1 2 297.359 -1.097 20 0 CAADLO CCOCC(=O)N[C@H]1CC[N@@H+](CC(N)=O)C[C@H]1O ZINC001099647908 776166019 /nfs/dbraw/zinc/16/60/19/776166019.db2.gz LKTOKEXWSNYJEU-DTWKUNHWSA-N 1 2 259.306 -1.940 20 0 CAADLO O=C(Cn1nccn1)NCC[NH2+]Cc1ncccn1 ZINC001128269731 776154914 /nfs/dbraw/zinc/15/49/14/776154914.db2.gz RTPCOVZTWZQPML-UHFFFAOYSA-N 1 2 261.289 -1.026 20 0 CAADLO O=C(Cn1nccn1)NCC[NH2+]Cc1cnon1 ZINC001128273338 776157170 /nfs/dbraw/zinc/15/71/70/776157170.db2.gz JAZAYTWKTPNAJG-UHFFFAOYSA-N 1 2 251.250 -1.433 20 0 CAADLO O=C(Cc1cnc[nH]1)N[C@@H]1C[N@H+](CCCO)C[C@@H]1O ZINC001083814422 776159913 /nfs/dbraw/zinc/15/99/13/776159913.db2.gz BQACOAOGHLDUTB-MNOVXSKESA-N 1 2 268.317 -1.504 20 0 CAADLO O=C(Cc1cnc[nH]1)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001083814422 776159921 /nfs/dbraw/zinc/15/99/21/776159921.db2.gz BQACOAOGHLDUTB-MNOVXSKESA-N 1 2 268.317 -1.504 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C(F)F)[C@H](O)C1 ZINC001089983120 776160254 /nfs/dbraw/zinc/16/02/54/776160254.db2.gz HHTLHBDUTATHHW-RNFRBKRXSA-N 1 2 265.260 -1.451 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)C(F)F)[C@H](O)C1 ZINC001089983120 776160260 /nfs/dbraw/zinc/16/02/60/776160260.db2.gz HHTLHBDUTATHHW-RNFRBKRXSA-N 1 2 265.260 -1.451 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)C(F)F)[C@H](O)C1 ZINC001089983593 776160594 /nfs/dbraw/zinc/16/05/94/776160594.db2.gz NKTDNNGQIRQVJK-PHDIDXHHSA-N 1 2 251.233 -1.712 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)C(F)F)[C@H](O)C1 ZINC001089983593 776160600 /nfs/dbraw/zinc/16/06/00/776160600.db2.gz NKTDNNGQIRQVJK-PHDIDXHHSA-N 1 2 251.233 -1.712 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)C(F)F)[C@H](O)C1 ZINC001089983590 776161166 /nfs/dbraw/zinc/16/11/66/776161166.db2.gz NKTDNNGQIRQVJK-NTSWFWBYSA-N 1 2 251.233 -1.712 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)C(F)F)[C@H](O)C1 ZINC001089983590 776161171 /nfs/dbraw/zinc/16/11/71/776161171.db2.gz NKTDNNGQIRQVJK-NTSWFWBYSA-N 1 2 251.233 -1.712 20 0 CAADLO CC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1COC(=O)N1 ZINC001050894457 776162331 /nfs/dbraw/zinc/16/23/31/776162331.db2.gz QHGPWORQPFKWNJ-IUCAKERBSA-N 1 2 257.290 -1.068 20 0 CAADLO CC[N@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1COC(=O)N1 ZINC001050894457 776162336 /nfs/dbraw/zinc/16/23/36/776162336.db2.gz QHGPWORQPFKWNJ-IUCAKERBSA-N 1 2 257.290 -1.068 20 0 CAADLO C[C@@H](O)C[N@H+]1C[C@@H](NC(=O)Cc2cnc[nH]2)[C@@H](O)C1 ZINC001083815383 776162631 /nfs/dbraw/zinc/16/26/31/776162631.db2.gz VEISSGOSRBUCQX-IEBDPFPHSA-N 1 2 268.317 -1.506 20 0 CAADLO C[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)Cc2cnc[nH]2)[C@@H](O)C1 ZINC001083815383 776162635 /nfs/dbraw/zinc/16/26/35/776162635.db2.gz VEISSGOSRBUCQX-IEBDPFPHSA-N 1 2 268.317 -1.506 20 0 CAADLO COCC(=O)NC[C@H]1COCCN1C(=O)Cn1cc[nH+]c1 ZINC001061183061 776162866 /nfs/dbraw/zinc/16/28/66/776162866.db2.gz ZFOYRJGGLVGBAV-NSHDSACASA-N 1 2 296.327 -1.127 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C(C)C)[C@@H](O)C1 ZINC001090085527 776183818 /nfs/dbraw/zinc/18/38/18/776183818.db2.gz AONOACKYCSSVQN-ZJUUUORDSA-N 1 2 257.334 -1.060 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)C(C)C)[C@@H](O)C1 ZINC001090085527 776183821 /nfs/dbraw/zinc/18/38/21/776183821.db2.gz AONOACKYCSSVQN-ZJUUUORDSA-N 1 2 257.334 -1.060 20 0 CAADLO CCOCC(=O)N[C@H]1CC[N@H+](CC(N)=O)C[C@H]1O ZINC001099647908 776166012 /nfs/dbraw/zinc/16/60/12/776166012.db2.gz LKTOKEXWSNYJEU-DTWKUNHWSA-N 1 2 259.306 -1.940 20 0 CAADLO CCOCC(=O)N[C@@H]1CC[N@H+](CC(=O)NC2CC2)C[C@@H]1O ZINC001099648047 776167206 /nfs/dbraw/zinc/16/72/06/776167206.db2.gz NCXUUHWGAZRXHW-NEPJUHHUSA-N 1 2 299.371 -1.147 20 0 CAADLO CCOCC(=O)N[C@@H]1CC[N@@H+](CC(=O)NC2CC2)C[C@@H]1O ZINC001099648047 776167212 /nfs/dbraw/zinc/16/72/12/776167212.db2.gz NCXUUHWGAZRXHW-NEPJUHHUSA-N 1 2 299.371 -1.147 20 0 CAADLO CCOCC(=O)N[C@H]1CC[N@H+](CC(=O)NC2CC2)C[C@H]1O ZINC001099648048 776167454 /nfs/dbraw/zinc/16/74/54/776167454.db2.gz NCXUUHWGAZRXHW-NWDGAFQWSA-N 1 2 299.371 -1.147 20 0 CAADLO CCOCC(=O)N[C@H]1CC[N@@H+](CC(=O)NC2CC2)C[C@H]1O ZINC001099648048 776167459 /nfs/dbraw/zinc/16/74/59/776167459.db2.gz NCXUUHWGAZRXHW-NWDGAFQWSA-N 1 2 299.371 -1.147 20 0 CAADLO COC(=O)[C@@H](Cc1c[nH+]cn1C)NC(=O)[C@@H]1CCC(=O)N1 ZINC001143128299 776167479 /nfs/dbraw/zinc/16/74/79/776167479.db2.gz OWGLEPYODDAWJC-VHSXEESVSA-N 1 2 294.311 -1.101 20 0 CAADLO CCOCC(=O)N[C@@H]1CC[N@H+](CC(=O)NC2CC2)C[C@H]1O ZINC001099648050 776167620 /nfs/dbraw/zinc/16/76/20/776167620.db2.gz NCXUUHWGAZRXHW-VXGBXAGGSA-N 1 2 299.371 -1.147 20 0 CAADLO CCOCC(=O)N[C@@H]1CC[N@@H+](CC(=O)NC2CC2)C[C@H]1O ZINC001099648050 776167626 /nfs/dbraw/zinc/16/76/26/776167626.db2.gz NCXUUHWGAZRXHW-VXGBXAGGSA-N 1 2 299.371 -1.147 20 0 CAADLO CC(C)(F)C(=O)N[C@@H]1CC[N@H+](CC(N)=O)C[C@@H]1O ZINC001089999938 776168384 /nfs/dbraw/zinc/16/83/84/776168384.db2.gz GJWFQAIZBGELKZ-SFYZADRCSA-N 1 2 261.297 -1.229 20 0 CAADLO CC(C)(F)C(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C[C@@H]1O ZINC001089999938 776168388 /nfs/dbraw/zinc/16/83/88/776168388.db2.gz GJWFQAIZBGELKZ-SFYZADRCSA-N 1 2 261.297 -1.229 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)C2CCC2)[C@@H](O)C1 ZINC001090000918 776168618 /nfs/dbraw/zinc/16/86/18/776168618.db2.gz JNLWPLPGUZAKMU-UWVGGRQHSA-N 1 2 255.318 -1.177 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)C2CCC2)[C@@H](O)C1 ZINC001090000918 776168624 /nfs/dbraw/zinc/16/86/24/776168624.db2.gz JNLWPLPGUZAKMU-UWVGGRQHSA-N 1 2 255.318 -1.177 20 0 CAADLO CN(C(=O)Cc1[nH]cc[nH+]1)C1CN(Cc2nnnn2C)C1 ZINC001044090224 776168890 /nfs/dbraw/zinc/16/88/90/776168890.db2.gz CWOHXJRCHQAXBK-UHFFFAOYSA-N 1 2 290.331 -1.182 20 0 CAADLO CC(C)(F)C(=O)N[C@H]1CC[N@H+](CC(N)=O)C[C@@H]1O ZINC001089999940 776169017 /nfs/dbraw/zinc/16/90/17/776169017.db2.gz GJWFQAIZBGELKZ-YUMQZZPRSA-N 1 2 261.297 -1.229 20 0 CAADLO CC(C)(F)C(=O)N[C@H]1CC[N@@H+](CC(N)=O)C[C@@H]1O ZINC001089999940 776169020 /nfs/dbraw/zinc/16/90/20/776169020.db2.gz GJWFQAIZBGELKZ-YUMQZZPRSA-N 1 2 261.297 -1.229 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)C(C)(F)F)[C@H](O)C1 ZINC001089999501 776169254 /nfs/dbraw/zinc/16/92/54/776169254.db2.gz ZNNIKMALCCVFSM-JGVFFNPUSA-N 1 2 279.287 -1.061 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)C(C)(F)F)[C@H](O)C1 ZINC001089999501 776169257 /nfs/dbraw/zinc/16/92/57/776169257.db2.gz ZNNIKMALCCVFSM-JGVFFNPUSA-N 1 2 279.287 -1.061 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)C2CCC2)[C@H](O)C1 ZINC001090000921 776169551 /nfs/dbraw/zinc/16/95/51/776169551.db2.gz JNLWPLPGUZAKMU-VHSXEESVSA-N 1 2 255.318 -1.177 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)C2CCC2)[C@H](O)C1 ZINC001090000921 776169561 /nfs/dbraw/zinc/16/95/61/776169561.db2.gz JNLWPLPGUZAKMU-VHSXEESVSA-N 1 2 255.318 -1.177 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)CC2CC2)[C@@H](O)C1 ZINC001090011818 776170422 /nfs/dbraw/zinc/17/04/22/776170422.db2.gz ZFUYXOSDXWCMGD-UWVGGRQHSA-N 1 2 255.318 -1.177 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)CC2CC2)[C@@H](O)C1 ZINC001090011818 776170428 /nfs/dbraw/zinc/17/04/28/776170428.db2.gz ZFUYXOSDXWCMGD-UWVGGRQHSA-N 1 2 255.318 -1.177 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)CC2CC2)[C@@H](O)C1 ZINC001090011820 776170739 /nfs/dbraw/zinc/17/07/39/776170739.db2.gz ZFUYXOSDXWCMGD-ZJUUUORDSA-N 1 2 255.318 -1.177 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)CC2CC2)[C@@H](O)C1 ZINC001090011820 776170743 /nfs/dbraw/zinc/17/07/43/776170743.db2.gz ZFUYXOSDXWCMGD-ZJUUUORDSA-N 1 2 255.318 -1.177 20 0 CAADLO CO[C@H](C)C[N@@H+]1CCn2ncc(CNC(=O)C(N)=O)c2C1 ZINC001128467623 776170952 /nfs/dbraw/zinc/17/09/52/776170952.db2.gz ZZUQXLJPJDYHJK-SECBINFHSA-N 1 2 295.343 -1.165 20 0 CAADLO CO[C@H](C)C[N@H+]1CCn2ncc(CNC(=O)C(N)=O)c2C1 ZINC001128467623 776170955 /nfs/dbraw/zinc/17/09/55/776170955.db2.gz ZZUQXLJPJDYHJK-SECBINFHSA-N 1 2 295.343 -1.165 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)c2ccccn2)[C@@H](O)C1 ZINC001090014866 776171878 /nfs/dbraw/zinc/17/18/78/776171878.db2.gz ULWMFNRPTHQGPP-ONGXEEELSA-N 1 2 278.312 -1.268 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)c2ccccn2)[C@@H](O)C1 ZINC001090014866 776171882 /nfs/dbraw/zinc/17/18/82/776171882.db2.gz ULWMFNRPTHQGPP-ONGXEEELSA-N 1 2 278.312 -1.268 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cccnc2)[C@H](O)C1 ZINC001090015814 776171907 /nfs/dbraw/zinc/17/19/07/776171907.db2.gz BZDVJDFKQSBTOC-WDEREUQCSA-N 1 2 278.312 -1.268 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)c2cccnc2)[C@H](O)C1 ZINC001090015814 776171910 /nfs/dbraw/zinc/17/19/10/776171910.db2.gz BZDVJDFKQSBTOC-WDEREUQCSA-N 1 2 278.312 -1.268 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)C2CCOCC2)[C@H](O)C1 ZINC001090014856 776172093 /nfs/dbraw/zinc/17/20/93/776172093.db2.gz UJCZBMDIWTWMSU-WDEREUQCSA-N 1 2 285.344 -1.550 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)C2CCOCC2)[C@H](O)C1 ZINC001090014856 776172096 /nfs/dbraw/zinc/17/20/96/776172096.db2.gz UJCZBMDIWTWMSU-WDEREUQCSA-N 1 2 285.344 -1.550 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cccnc2)[C@@H](O)C1 ZINC001090015813 776172179 /nfs/dbraw/zinc/17/21/79/776172179.db2.gz BZDVJDFKQSBTOC-QWRGUYRKSA-N 1 2 278.312 -1.268 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)c2cccnc2)[C@@H](O)C1 ZINC001090015813 776172187 /nfs/dbraw/zinc/17/21/87/776172187.db2.gz BZDVJDFKQSBTOC-QWRGUYRKSA-N 1 2 278.312 -1.268 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)C2CCOCC2)[C@@H](O)C1 ZINC001090014843 776172565 /nfs/dbraw/zinc/17/25/65/776172565.db2.gz UJCZBMDIWTWMSU-MNOVXSKESA-N 1 2 285.344 -1.550 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)C2CCOCC2)[C@@H](O)C1 ZINC001090014843 776172569 /nfs/dbraw/zinc/17/25/69/776172569.db2.gz UJCZBMDIWTWMSU-MNOVXSKESA-N 1 2 285.344 -1.550 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ccccn2)[C@H](O)C1 ZINC001090014864 776172577 /nfs/dbraw/zinc/17/25/77/776172577.db2.gz ULWMFNRPTHQGPP-MWLCHTKSSA-N 1 2 278.312 -1.268 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)c2ccccn2)[C@H](O)C1 ZINC001090014864 776172581 /nfs/dbraw/zinc/17/25/81/776172581.db2.gz ULWMFNRPTHQGPP-MWLCHTKSSA-N 1 2 278.312 -1.268 20 0 CAADLO Cc1cc(C(=O)N[C@H]2CC[N@H+](CC(N)=O)C[C@H]2O)no1 ZINC001090031493 776173193 /nfs/dbraw/zinc/17/31/93/776173193.db2.gz OAMHLBGWTAKDGS-WCBMZHEXSA-N 1 2 282.300 -1.367 20 0 CAADLO Cc1cc(C(=O)N[C@H]2CC[N@@H+](CC(N)=O)C[C@H]2O)no1 ZINC001090031493 776173198 /nfs/dbraw/zinc/17/31/98/776173198.db2.gz OAMHLBGWTAKDGS-WCBMZHEXSA-N 1 2 282.300 -1.367 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)c2ccco2)[C@H](O)C1 ZINC001090021652 776173439 /nfs/dbraw/zinc/17/34/39/776173439.db2.gz WOOFLOYMPSTQBN-DTWKUNHWSA-N 1 2 267.285 -1.070 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)c2ccco2)[C@H](O)C1 ZINC001090021652 776173443 /nfs/dbraw/zinc/17/34/43/776173443.db2.gz WOOFLOYMPSTQBN-DTWKUNHWSA-N 1 2 267.285 -1.070 20 0 CAADLO Cc1cc(C(=O)N[C@H]2CC[N@H+](CC(N)=O)C[C@@H]2O)no1 ZINC001090031494 776174019 /nfs/dbraw/zinc/17/40/19/776174019.db2.gz OAMHLBGWTAKDGS-WPRPVWTQSA-N 1 2 282.300 -1.367 20 0 CAADLO Cc1cc(C(=O)N[C@H]2CC[N@@H+](CC(N)=O)C[C@@H]2O)no1 ZINC001090031494 776174022 /nfs/dbraw/zinc/17/40/22/776174022.db2.gz OAMHLBGWTAKDGS-WPRPVWTQSA-N 1 2 282.300 -1.367 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ccco2)[C@H](O)C1 ZINC001090021786 776174047 /nfs/dbraw/zinc/17/40/47/776174047.db2.gz WOOFLOYMPSTQBN-RKDXNWHRSA-N 1 2 267.285 -1.070 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)c2ccco2)[C@H](O)C1 ZINC001090021786 776174051 /nfs/dbraw/zinc/17/40/51/776174051.db2.gz WOOFLOYMPSTQBN-RKDXNWHRSA-N 1 2 267.285 -1.070 20 0 CAADLO Cc1cnc(C(=O)N[C@H]2CC[N@H+](CC(N)=O)C[C@@H]2O)cn1 ZINC001090036461 776175179 /nfs/dbraw/zinc/17/51/79/776175179.db2.gz FQQUBZKIUVFUHI-ONGXEEELSA-N 1 2 293.327 -1.565 20 0 CAADLO Cc1cnc(C(=O)N[C@H]2CC[N@@H+](CC(N)=O)C[C@@H]2O)cn1 ZINC001090036461 776175182 /nfs/dbraw/zinc/17/51/82/776175182.db2.gz FQQUBZKIUVFUHI-ONGXEEELSA-N 1 2 293.327 -1.565 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cc[n+]([O-])cc2)[C@@H](O)C1 ZINC001090046335 776175283 /nfs/dbraw/zinc/17/52/83/776175283.db2.gz OPLXNARHYYXZEY-MNOVXSKESA-N 1 2 294.311 -2.030 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cc[n+]([O-])cc2)[C@@H](O)C1 ZINC001090046335 776175284 /nfs/dbraw/zinc/17/52/84/776175284.db2.gz OPLXNARHYYXZEY-MNOVXSKESA-N 1 2 294.311 -2.030 20 0 CAADLO Cc1cnc(C(=O)N[C@@H]2CC[N@H+](CC(N)=O)C[C@H]2O)cn1 ZINC001090036459 776175302 /nfs/dbraw/zinc/17/53/02/776175302.db2.gz FQQUBZKIUVFUHI-MWLCHTKSSA-N 1 2 293.327 -1.565 20 0 CAADLO Cc1cnc(C(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C[C@H]2O)cn1 ZINC001090036459 776175305 /nfs/dbraw/zinc/17/53/05/776175305.db2.gz FQQUBZKIUVFUHI-MWLCHTKSSA-N 1 2 293.327 -1.565 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cc[n+]([O-])cc2)[C@@H](O)C1 ZINC001090046336 776175620 /nfs/dbraw/zinc/17/56/20/776175620.db2.gz OPLXNARHYYXZEY-QWRGUYRKSA-N 1 2 294.311 -2.030 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)c2cc[n+]([O-])cc2)[C@@H](O)C1 ZINC001090046336 776175625 /nfs/dbraw/zinc/17/56/25/776175625.db2.gz OPLXNARHYYXZEY-QWRGUYRKSA-N 1 2 294.311 -2.030 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cnccn2)[C@@H](O)C1 ZINC001090037802 776175641 /nfs/dbraw/zinc/17/56/41/776175641.db2.gz LHDLPOLAHBPMBH-SCZZXKLOSA-N 1 2 279.300 -1.873 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cnccn2)[C@@H](O)C1 ZINC001090037802 776175645 /nfs/dbraw/zinc/17/56/45/776175645.db2.gz LHDLPOLAHBPMBH-SCZZXKLOSA-N 1 2 279.300 -1.873 20 0 CAADLO CC[NH+]1CC(N(C)C(=O)c2cn(CC(N)=O)nn2)C1 ZINC001044335532 776176487 /nfs/dbraw/zinc/17/64/87/776176487.db2.gz ITWHFAWTVNRDJF-UHFFFAOYSA-N 1 2 266.305 -1.461 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cc(C)no2)[C@@H](O)C1 ZINC001090055914 776176579 /nfs/dbraw/zinc/17/65/79/776176579.db2.gz ANQLVUWRHOYPRH-ZJUUUORDSA-N 1 2 296.327 -1.106 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cc(C)no2)[C@@H](O)C1 ZINC001090055914 776176580 /nfs/dbraw/zinc/17/65/80/776176580.db2.gz ANQLVUWRHOYPRH-ZJUUUORDSA-N 1 2 296.327 -1.106 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cc(C)no2)[C@H](O)C1 ZINC001090055913 776176995 /nfs/dbraw/zinc/17/69/95/776176995.db2.gz ANQLVUWRHOYPRH-VHSXEESVSA-N 1 2 296.327 -1.106 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cc(C)no2)[C@H](O)C1 ZINC001090055913 776176999 /nfs/dbraw/zinc/17/69/99/776176999.db2.gz ANQLVUWRHOYPRH-VHSXEESVSA-N 1 2 296.327 -1.106 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)Cn2cnnn2)[C@@H](O)C1 ZINC001090053751 776177531 /nfs/dbraw/zinc/17/75/31/776177531.db2.gz DMLVYPKNOGDWPJ-IUCAKERBSA-N 1 2 297.319 -3.030 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)Cn2cnnn2)[C@@H](O)C1 ZINC001090053751 776177535 /nfs/dbraw/zinc/17/75/35/776177535.db2.gz DMLVYPKNOGDWPJ-IUCAKERBSA-N 1 2 297.319 -3.030 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)Cn2cnnn2)[C@H](O)C1 ZINC001090053749 776177763 /nfs/dbraw/zinc/17/77/63/776177763.db2.gz DMLVYPKNOGDWPJ-DTWKUNHWSA-N 1 2 297.319 -3.030 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)Cn2cnnn2)[C@H](O)C1 ZINC001090053749 776177768 /nfs/dbraw/zinc/17/77/68/776177768.db2.gz DMLVYPKNOGDWPJ-DTWKUNHWSA-N 1 2 297.319 -3.030 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)Cn2cnnn2)[C@H](O)C1 ZINC001090058352 776179065 /nfs/dbraw/zinc/17/90/65/776179065.db2.gz QCHLNGDPLREQAM-JGVFFNPUSA-N 1 2 283.292 -3.290 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)Cn2cnnn2)[C@H](O)C1 ZINC001090058352 776179069 /nfs/dbraw/zinc/17/90/69/776179069.db2.gz QCHLNGDPLREQAM-JGVFFNPUSA-N 1 2 283.292 -3.290 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)Cn2cnnn2)[C@@H](O)C1 ZINC001090058354 776179240 /nfs/dbraw/zinc/17/92/40/776179240.db2.gz QCHLNGDPLREQAM-YUMQZZPRSA-N 1 2 283.292 -3.290 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)Cn2cnnn2)[C@@H](O)C1 ZINC001090058354 776179245 /nfs/dbraw/zinc/17/92/45/776179245.db2.gz QCHLNGDPLREQAM-YUMQZZPRSA-N 1 2 283.292 -3.290 20 0 CAADLO Cc1cc(C(=O)N[C@H]2CC[N@H+](CC(N)=O)C[C@@H]2O)on1 ZINC001090058535 776179433 /nfs/dbraw/zinc/17/94/33/776179433.db2.gz SQOKBTCDUYKFAN-IUCAKERBSA-N 1 2 282.300 -1.367 20 0 CAADLO Cc1cc(C(=O)N[C@H]2CC[N@@H+](CC(N)=O)C[C@@H]2O)on1 ZINC001090058535 776179436 /nfs/dbraw/zinc/17/94/36/776179436.db2.gz SQOKBTCDUYKFAN-IUCAKERBSA-N 1 2 282.300 -1.367 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cnn(C)c2)[C@H](O)C1 ZINC001090061524 776180419 /nfs/dbraw/zinc/18/04/19/776180419.db2.gz RZRVVKGRELFXSB-WDEREUQCSA-N 1 2 295.343 -1.669 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cnn(C)c2)[C@H](O)C1 ZINC001090061524 776180428 /nfs/dbraw/zinc/18/04/28/776180428.db2.gz RZRVVKGRELFXSB-WDEREUQCSA-N 1 2 295.343 -1.669 20 0 CAADLO Cc1ccc(C(=O)N[C@@H]2CC[N@H+](CC(N)=O)C[C@@H]2O)n1C ZINC001090068456 776180656 /nfs/dbraw/zinc/18/06/56/776180656.db2.gz LKKUPOLXOJOTTD-PWSUYJOCSA-N 1 2 294.355 -1.016 20 0 CAADLO Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C[C@@H]2O)n1C ZINC001090068456 776180661 /nfs/dbraw/zinc/18/06/61/776180661.db2.gz LKKUPOLXOJOTTD-PWSUYJOCSA-N 1 2 294.355 -1.016 20 0 CAADLO Cc1noc(C)c1C(=O)N[C@H]1CC[N@H+](CC(N)=O)C[C@@H]1O ZINC001090064600 776180712 /nfs/dbraw/zinc/18/07/12/776180712.db2.gz LBMJOSBEJTWEQW-UWVGGRQHSA-N 1 2 296.327 -1.058 20 0 CAADLO Cc1noc(C)c1C(=O)N[C@H]1CC[N@@H+](CC(N)=O)C[C@@H]1O ZINC001090064600 776180721 /nfs/dbraw/zinc/18/07/21/776180721.db2.gz LBMJOSBEJTWEQW-UWVGGRQHSA-N 1 2 296.327 -1.058 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)c2ccc[nH]2)[C@@H](O)C1 ZINC001090067986 776181072 /nfs/dbraw/zinc/18/10/72/776181072.db2.gz IFGQXMZDXKEHRE-WPRPVWTQSA-N 1 2 266.301 -1.335 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)c2ccc[nH]2)[C@@H](O)C1 ZINC001090067986 776181074 /nfs/dbraw/zinc/18/10/74/776181074.db2.gz IFGQXMZDXKEHRE-WPRPVWTQSA-N 1 2 266.301 -1.335 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)Cn2cccn2)[C@H](O)C1 ZINC001090071960 776181082 /nfs/dbraw/zinc/18/10/82/776181082.db2.gz IUTGWXGXOHSVCW-WDEREUQCSA-N 1 2 295.343 -1.820 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)Cn2cccn2)[C@H](O)C1 ZINC001090071960 776181084 /nfs/dbraw/zinc/18/10/84/776181084.db2.gz IUTGWXGXOHSVCW-WDEREUQCSA-N 1 2 295.343 -1.820 20 0 CAADLO Cc1noc(C)c1C(=O)N[C@@H]1CC[N@H+](CC(N)=O)C[C@@H]1O ZINC001090064602 776181087 /nfs/dbraw/zinc/18/10/87/776181087.db2.gz LBMJOSBEJTWEQW-ZJUUUORDSA-N 1 2 296.327 -1.058 20 0 CAADLO Cc1noc(C)c1C(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C[C@@H]1O ZINC001090064602 776181089 /nfs/dbraw/zinc/18/10/89/776181089.db2.gz LBMJOSBEJTWEQW-ZJUUUORDSA-N 1 2 296.327 -1.058 20 0 CAADLO Cc1c(C(=O)N[C@@H]2CC[N@H+](CC(N)=O)C[C@H]2O)cnn1C ZINC001090078235 776182270 /nfs/dbraw/zinc/18/22/70/776182270.db2.gz DRHFZOFKRNMHAB-GHMZBOCLSA-N 1 2 295.343 -1.621 20 0 CAADLO Cc1c(C(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C[C@H]2O)cnn1C ZINC001090078235 776182274 /nfs/dbraw/zinc/18/22/74/776182274.db2.gz DRHFZOFKRNMHAB-GHMZBOCLSA-N 1 2 295.343 -1.621 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)Cn2cccn2)[C@H](O)C1 ZINC001090078509 776182527 /nfs/dbraw/zinc/18/25/27/776182527.db2.gz IWAJTDHRAUVHRV-VHSXEESVSA-N 1 2 281.316 -2.080 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)Cn2cccn2)[C@H](O)C1 ZINC001090078509 776182529 /nfs/dbraw/zinc/18/25/29/776182529.db2.gz IWAJTDHRAUVHRV-VHSXEESVSA-N 1 2 281.316 -2.080 20 0 CAADLO CN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)c2ccon2)[C@@H](O)C1 ZINC001090095922 776183526 /nfs/dbraw/zinc/18/35/26/776183526.db2.gz JEGZRLAYIGPDPD-ONGXEEELSA-N 1 2 296.327 -1.072 20 0 CAADLO CN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)c2ccon2)[C@@H](O)C1 ZINC001090095922 776183530 /nfs/dbraw/zinc/18/35/30/776183530.db2.gz JEGZRLAYIGPDPD-ONGXEEELSA-N 1 2 296.327 -1.072 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cccn2C)[C@H](O)C1 ZINC001090089792 776183686 /nfs/dbraw/zinc/18/36/86/776183686.db2.gz YPWMGQIIXTZKQI-CMPLNLGQSA-N 1 2 294.355 -1.064 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cccn2C)[C@H](O)C1 ZINC001090089792 776183691 /nfs/dbraw/zinc/18/36/91/776183691.db2.gz YPWMGQIIXTZKQI-CMPLNLGQSA-N 1 2 294.355 -1.064 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)C(C)C)[C@H](O)C1 ZINC001090085519 776183963 /nfs/dbraw/zinc/18/39/63/776183963.db2.gz AONOACKYCSSVQN-VHSXEESVSA-N 1 2 257.334 -1.060 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)C(C)C)[C@H](O)C1 ZINC001090085519 776183966 /nfs/dbraw/zinc/18/39/66/776183966.db2.gz AONOACKYCSSVQN-VHSXEESVSA-N 1 2 257.334 -1.060 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)c2ccon2)[C@H](O)C1 ZINC001090091375 776184085 /nfs/dbraw/zinc/18/40/85/776184085.db2.gz AXAOLLBVQORLGB-IONNQARKSA-N 1 2 268.273 -1.675 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)c2ccon2)[C@H](O)C1 ZINC001090091375 776184087 /nfs/dbraw/zinc/18/40/87/776184087.db2.gz AXAOLLBVQORLGB-IONNQARKSA-N 1 2 268.273 -1.675 20 0 CAADLO CN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)c2ccon2)[C@H](O)C1 ZINC001090095919 776184142 /nfs/dbraw/zinc/18/41/42/776184142.db2.gz JEGZRLAYIGPDPD-GXSJLCMTSA-N 1 2 296.327 -1.072 20 0 CAADLO CN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)c2ccon2)[C@H](O)C1 ZINC001090095919 776184144 /nfs/dbraw/zinc/18/41/44/776184144.db2.gz JEGZRLAYIGPDPD-GXSJLCMTSA-N 1 2 296.327 -1.072 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ccon2)[C@H](O)C1 ZINC001090091376 776184174 /nfs/dbraw/zinc/18/41/74/776184174.db2.gz AXAOLLBVQORLGB-VXNVDRBHSA-N 1 2 268.273 -1.675 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)c2ccon2)[C@H](O)C1 ZINC001090091376 776184176 /nfs/dbraw/zinc/18/41/76/776184176.db2.gz AXAOLLBVQORLGB-VXNVDRBHSA-N 1 2 268.273 -1.675 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cnns2)[C@H](O)C1 ZINC001090101856 776185258 /nfs/dbraw/zinc/18/52/58/776185258.db2.gz CITJDCBAKPBSHL-RNFRBKRXSA-N 1 2 285.329 -1.812 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cnns2)[C@H](O)C1 ZINC001090101856 776185265 /nfs/dbraw/zinc/18/52/65/776185265.db2.gz CITJDCBAKPBSHL-RNFRBKRXSA-N 1 2 285.329 -1.812 20 0 CAADLO C[N@@H+]1CCO[C@H]2CN(C(=O)CCC(=O)NCC(N)=O)C[C@@H]21 ZINC001273040529 776185371 /nfs/dbraw/zinc/18/53/71/776185371.db2.gz AXSQUVHNDVNFGU-UWVGGRQHSA-N 1 2 298.343 -2.091 20 0 CAADLO C[N@H+]1CCO[C@H]2CN(C(=O)CCC(=O)NCC(N)=O)C[C@@H]21 ZINC001273040529 776185375 /nfs/dbraw/zinc/18/53/75/776185375.db2.gz AXSQUVHNDVNFGU-UWVGGRQHSA-N 1 2 298.343 -2.091 20 0 CAADLO CC[N@H+]1C[C@@H](NC(=O)C2CCS(=O)(=O)CC2)[C@@H](O)C1 ZINC001083828381 776185402 /nfs/dbraw/zinc/18/54/02/776185402.db2.gz PUZDJDJRCAHJKA-MNOVXSKESA-N 1 2 290.385 -1.008 20 0 CAADLO CC[N@@H+]1C[C@@H](NC(=O)C2CCS(=O)(=O)CC2)[C@@H](O)C1 ZINC001083828381 776185405 /nfs/dbraw/zinc/18/54/05/776185405.db2.gz PUZDJDJRCAHJKA-MNOVXSKESA-N 1 2 290.385 -1.008 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cnns2)[C@H](O)C1 ZINC001090101855 776185486 /nfs/dbraw/zinc/18/54/86/776185486.db2.gz CITJDCBAKPBSHL-NKWVEPMBSA-N 1 2 285.329 -1.812 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)c2cnns2)[C@H](O)C1 ZINC001090101855 776185490 /nfs/dbraw/zinc/18/54/90/776185490.db2.gz CITJDCBAKPBSHL-NKWVEPMBSA-N 1 2 285.329 -1.812 20 0 CAADLO Cc1ncncc1C(=O)N[C@@H]1CC[N@H+](CC(N)=O)C[C@@H]1O ZINC001090097262 776185636 /nfs/dbraw/zinc/18/56/36/776185636.db2.gz WTKJEWYQUPJUHO-MNOVXSKESA-N 1 2 293.327 -1.565 20 0 CAADLO Cc1ncncc1C(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C[C@@H]1O ZINC001090097262 776185640 /nfs/dbraw/zinc/18/56/40/776185640.db2.gz WTKJEWYQUPJUHO-MNOVXSKESA-N 1 2 293.327 -1.565 20 0 CAADLO C[N@@H+]1CCO[C@H]2CN(C(=O)CCC(=O)NCC(N)=O)C[C@H]21 ZINC001273040531 776185906 /nfs/dbraw/zinc/18/59/06/776185906.db2.gz AXSQUVHNDVNFGU-ZJUUUORDSA-N 1 2 298.343 -2.091 20 0 CAADLO C[N@H+]1CCO[C@H]2CN(C(=O)CCC(=O)NCC(N)=O)C[C@H]21 ZINC001273040531 776185912 /nfs/dbraw/zinc/18/59/12/776185912.db2.gz AXSQUVHNDVNFGU-ZJUUUORDSA-N 1 2 298.343 -2.091 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2ccn[nH]2)[C@@H](O)C1 ZINC001090101601 776187022 /nfs/dbraw/zinc/18/70/22/776187022.db2.gz ZVGHFSOWNGLSTF-WPRPVWTQSA-N 1 2 281.316 -1.679 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)c2ccn[nH]2)[C@@H](O)C1 ZINC001090101601 776187026 /nfs/dbraw/zinc/18/70/26/776187026.db2.gz ZVGHFSOWNGLSTF-WPRPVWTQSA-N 1 2 281.316 -1.679 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cnns2)[C@@H](O)C1 ZINC001090101864 776187060 /nfs/dbraw/zinc/18/70/60/776187060.db2.gz CQLFMXSKFQYWOC-SFYZADRCSA-N 1 2 299.356 -1.551 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cnns2)[C@@H](O)C1 ZINC001090101864 776187067 /nfs/dbraw/zinc/18/70/67/776187067.db2.gz CQLFMXSKFQYWOC-SFYZADRCSA-N 1 2 299.356 -1.551 20 0 CAADLO CCc1cc(C(=O)N[C@H]2CC[N@H+](CC(N)=O)C[C@@H]2O)[nH]n1 ZINC001090101344 776187171 /nfs/dbraw/zinc/18/71/71/776187171.db2.gz XFMZWGYERVWJRI-ONGXEEELSA-N 1 2 295.343 -1.378 20 0 CAADLO CCc1cc(C(=O)N[C@H]2CC[N@@H+](CC(N)=O)C[C@@H]2O)[nH]n1 ZINC001090101344 776187175 /nfs/dbraw/zinc/18/71/75/776187175.db2.gz XFMZWGYERVWJRI-ONGXEEELSA-N 1 2 295.343 -1.378 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2ccn[nH]2)[C@H](O)C1 ZINC001090101600 776187347 /nfs/dbraw/zinc/18/73/47/776187347.db2.gz ZVGHFSOWNGLSTF-WCBMZHEXSA-N 1 2 281.316 -1.679 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)c2ccn[nH]2)[C@H](O)C1 ZINC001090101600 776187349 /nfs/dbraw/zinc/18/73/49/776187349.db2.gz ZVGHFSOWNGLSTF-WCBMZHEXSA-N 1 2 281.316 -1.679 20 0 CAADLO NC(=O)C1(C(=O)N[C@@H](CO)Cc2c[nH]c[nH+]2)CC1 ZINC001143163590 776190062 /nfs/dbraw/zinc/19/00/62/776190062.db2.gz QJUQDNUVVZOWTP-MRVPVSSYSA-N 1 2 252.274 -1.305 20 0 CAADLO NC(=O)C1(C(=O)N[C@@H](CO)Cc2c[nH+]c[nH]2)CC1 ZINC001143163590 776190070 /nfs/dbraw/zinc/19/00/70/776190070.db2.gz QJUQDNUVVZOWTP-MRVPVSSYSA-N 1 2 252.274 -1.305 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cn[nH]c2)[C@@H](O)C1 ZINC001090106823 776190486 /nfs/dbraw/zinc/19/04/86/776190486.db2.gz FIFPVLZCDDKKEO-BDAKNGLRSA-N 1 2 267.289 -1.940 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cn[nH]c2)[C@@H](O)C1 ZINC001090106823 776190491 /nfs/dbraw/zinc/19/04/91/776190491.db2.gz FIFPVLZCDDKKEO-BDAKNGLRSA-N 1 2 267.289 -1.940 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cn[nH]c2)[C@H](O)C1 ZINC001090106826 776191514 /nfs/dbraw/zinc/19/15/14/776191514.db2.gz FIFPVLZCDDKKEO-RKDXNWHRSA-N 1 2 267.289 -1.940 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cn[nH]c2)[C@H](O)C1 ZINC001090106826 776191517 /nfs/dbraw/zinc/19/15/17/776191517.db2.gz FIFPVLZCDDKKEO-RKDXNWHRSA-N 1 2 267.289 -1.940 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cnsn2)[C@@H](O)C1 ZINC001090108659 776191535 /nfs/dbraw/zinc/19/15/35/776191535.db2.gz POXXBPVAEJUCSE-XPUUQOCRSA-N 1 2 285.329 -1.812 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)c2cnsn2)[C@@H](O)C1 ZINC001090108659 776191536 /nfs/dbraw/zinc/19/15/36/776191536.db2.gz POXXBPVAEJUCSE-XPUUQOCRSA-N 1 2 285.329 -1.812 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cnsn2)[C@H](O)C1 ZINC001090108655 776192025 /nfs/dbraw/zinc/19/20/25/776192025.db2.gz POXXBPVAEJUCSE-POYBYMJQSA-N 1 2 285.329 -1.812 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)c2cnsn2)[C@H](O)C1 ZINC001090108655 776192030 /nfs/dbraw/zinc/19/20/30/776192030.db2.gz POXXBPVAEJUCSE-POYBYMJQSA-N 1 2 285.329 -1.812 20 0 CAADLO Cc1cc(C(=O)N[C@@H]2CC[N@H+](CC(N)=O)C[C@H]2O)n(C)n1 ZINC001090117571 776192795 /nfs/dbraw/zinc/19/27/95/776192795.db2.gz CYCMJKJAEBTRIP-MWLCHTKSSA-N 1 2 295.343 -1.621 20 0 CAADLO Cc1cc(C(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C[C@H]2O)n(C)n1 ZINC001090117571 776192797 /nfs/dbraw/zinc/19/27/97/776192797.db2.gz CYCMJKJAEBTRIP-MWLCHTKSSA-N 1 2 295.343 -1.621 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)c2ccnc(F)c2)[C@@H](O)C1 ZINC001090113523 776193301 /nfs/dbraw/zinc/19/33/01/776193301.db2.gz LWMJUIXUVXIRIT-UWVGGRQHSA-N 1 2 296.302 -1.129 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)c2ccnc(F)c2)[C@@H](O)C1 ZINC001090113523 776193307 /nfs/dbraw/zinc/19/33/07/776193307.db2.gz LWMJUIXUVXIRIT-UWVGGRQHSA-N 1 2 296.302 -1.129 20 0 CAADLO Cc1cc(C(=O)N[C@H]2CC[N@H+](CC(N)=O)C[C@@H]2O)n(C)n1 ZINC001090117572 776193839 /nfs/dbraw/zinc/19/38/39/776193839.db2.gz CYCMJKJAEBTRIP-ONGXEEELSA-N 1 2 295.343 -1.621 20 0 CAADLO Cc1cc(C(=O)N[C@H]2CC[N@@H+](CC(N)=O)C[C@@H]2O)n(C)n1 ZINC001090117572 776193840 /nfs/dbraw/zinc/19/38/40/776193840.db2.gz CYCMJKJAEBTRIP-ONGXEEELSA-N 1 2 295.343 -1.621 20 0 CAADLO Cc1cc(C(=O)N[C@H]2CC[N@H+](CC(N)=O)C[C@H]2O)n(C)n1 ZINC001090117569 776193864 /nfs/dbraw/zinc/19/38/64/776193864.db2.gz CYCMJKJAEBTRIP-GXSJLCMTSA-N 1 2 295.343 -1.621 20 0 CAADLO Cc1cc(C(=O)N[C@H]2CC[N@@H+](CC(N)=O)C[C@H]2O)n(C)n1 ZINC001090117569 776193869 /nfs/dbraw/zinc/19/38/69/776193869.db2.gz CYCMJKJAEBTRIP-GXSJLCMTSA-N 1 2 295.343 -1.621 20 0 CAADLO CC[C@@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)c2nc(C)c[nH]2)[C@@H](O)C1 ZINC001083848255 776194603 /nfs/dbraw/zinc/19/46/03/776194603.db2.gz SNKJQZVQJNNMET-UTLUCORTSA-N 1 2 295.343 -1.243 20 0 CAADLO CC[C@@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)c2nc(C)c[nH]2)[C@@H](O)C1 ZINC001083848255 776194607 /nfs/dbraw/zinc/19/46/07/776194607.db2.gz SNKJQZVQJNNMET-UTLUCORTSA-N 1 2 295.343 -1.243 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cocn2)[C@H](O)C1 ZINC001090121997 776195010 /nfs/dbraw/zinc/19/50/10/776195010.db2.gz BXUDZUKNHINICS-PSASIEDQSA-N 1 2 282.300 -1.414 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cocn2)[C@H](O)C1 ZINC001090121997 776195015 /nfs/dbraw/zinc/19/50/15/776195015.db2.gz BXUDZUKNHINICS-PSASIEDQSA-N 1 2 282.300 -1.414 20 0 CAADLO Cc1ocnc1C(=O)N[C@@H]1CC[N@H+](CC(N)=O)C[C@@H]1O ZINC001090118367 776195131 /nfs/dbraw/zinc/19/51/31/776195131.db2.gz JZTPTNCNNZNDLB-BDAKNGLRSA-N 1 2 282.300 -1.367 20 0 CAADLO Cc1ocnc1C(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C[C@@H]1O ZINC001090118367 776195137 /nfs/dbraw/zinc/19/51/37/776195137.db2.gz JZTPTNCNNZNDLB-BDAKNGLRSA-N 1 2 282.300 -1.367 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cocn2)[C@H](O)C1 ZINC001090122002 776195446 /nfs/dbraw/zinc/19/54/46/776195446.db2.gz BXUDZUKNHINICS-WCBMZHEXSA-N 1 2 282.300 -1.414 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cocn2)[C@H](O)C1 ZINC001090122002 776195448 /nfs/dbraw/zinc/19/54/48/776195448.db2.gz BXUDZUKNHINICS-WCBMZHEXSA-N 1 2 282.300 -1.414 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2ccnn2C)[C@H](O)C1 ZINC001090129977 776196135 /nfs/dbraw/zinc/19/61/35/776196135.db2.gz RYQUKDVSVMHJPX-GXSJLCMTSA-N 1 2 295.343 -1.669 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)c2ccnn2C)[C@H](O)C1 ZINC001090129977 776196141 /nfs/dbraw/zinc/19/61/41/776196141.db2.gz RYQUKDVSVMHJPX-GXSJLCMTSA-N 1 2 295.343 -1.669 20 0 CAADLO Cn1nccc1C(=O)N[C@H]1CC[N@H+](CC(N)=O)C[C@@H]1O ZINC001090128846 776196157 /nfs/dbraw/zinc/19/61/57/776196157.db2.gz IIOIRTIJGKHKAK-WPRPVWTQSA-N 1 2 281.316 -1.930 20 0 CAADLO Cn1nccc1C(=O)N[C@H]1CC[N@@H+](CC(N)=O)C[C@@H]1O ZINC001090128846 776196165 /nfs/dbraw/zinc/19/61/65/776196165.db2.gz IIOIRTIJGKHKAK-WPRPVWTQSA-N 1 2 281.316 -1.930 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cocn2)[C@@H](O)C1 ZINC001090128476 776196228 /nfs/dbraw/zinc/19/62/28/776196228.db2.gz LXYYPTITHRMQAQ-CBAPKCEASA-N 1 2 268.273 -1.675 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)c2cocn2)[C@@H](O)C1 ZINC001090128476 776196237 /nfs/dbraw/zinc/19/62/37/776196237.db2.gz LXYYPTITHRMQAQ-CBAPKCEASA-N 1 2 268.273 -1.675 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cnc(C)[nH]2)[C@@H](O)C1 ZINC001090123935 776196289 /nfs/dbraw/zinc/19/62/89/776196289.db2.gz PJKYPOBNSQESMA-ONGXEEELSA-N 1 2 295.343 -1.371 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cnc(C)[nH]2)[C@@H](O)C1 ZINC001090123935 776196295 /nfs/dbraw/zinc/19/62/95/776196295.db2.gz PJKYPOBNSQESMA-ONGXEEELSA-N 1 2 295.343 -1.371 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cocn2)[C@H](O)C1 ZINC001090128477 776196634 /nfs/dbraw/zinc/19/66/34/776196634.db2.gz LXYYPTITHRMQAQ-IONNQARKSA-N 1 2 268.273 -1.675 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)c2cocn2)[C@H](O)C1 ZINC001090128477 776196637 /nfs/dbraw/zinc/19/66/37/776196637.db2.gz LXYYPTITHRMQAQ-IONNQARKSA-N 1 2 268.273 -1.675 20 0 CAADLO Cn1nccc1C(=O)N[C@@H]1CC[N@H+](CC(N)=O)C[C@@H]1O ZINC001090128844 776196733 /nfs/dbraw/zinc/19/67/33/776196733.db2.gz IIOIRTIJGKHKAK-SCZZXKLOSA-N 1 2 281.316 -1.930 20 0 CAADLO Cn1nccc1C(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C[C@@H]1O ZINC001090128844 776196735 /nfs/dbraw/zinc/19/67/35/776196735.db2.gz IIOIRTIJGKHKAK-SCZZXKLOSA-N 1 2 281.316 -1.930 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)Cc2ccon2)[C@H](O)C1 ZINC001090128708 776196756 /nfs/dbraw/zinc/19/67/56/776196756.db2.gz HSZBTBUFPGMLCL-WDEREUQCSA-N 1 2 296.327 -1.486 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)Cc2ccon2)[C@H](O)C1 ZINC001090128708 776196760 /nfs/dbraw/zinc/19/67/60/776196760.db2.gz HSZBTBUFPGMLCL-WDEREUQCSA-N 1 2 296.327 -1.486 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2ccnn2C)[C@@H](O)C1 ZINC001090129980 776196845 /nfs/dbraw/zinc/19/68/45/776196845.db2.gz RYQUKDVSVMHJPX-ONGXEEELSA-N 1 2 295.343 -1.669 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)c2ccnn2C)[C@@H](O)C1 ZINC001090129980 776196848 /nfs/dbraw/zinc/19/68/48/776196848.db2.gz RYQUKDVSVMHJPX-ONGXEEELSA-N 1 2 295.343 -1.669 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2nccnc2N)[C@@H](O)C1 ZINC001090135473 776197613 /nfs/dbraw/zinc/19/76/13/776197613.db2.gz ADOKWBPIRRBBTM-SFYZADRCSA-N 1 2 294.315 -2.291 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)c2nccnc2N)[C@@H](O)C1 ZINC001090135473 776197621 /nfs/dbraw/zinc/19/76/21/776197621.db2.gz ADOKWBPIRRBBTM-SFYZADRCSA-N 1 2 294.315 -2.291 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)c2nccnc2N)[C@H](O)C1 ZINC001090135472 776198131 /nfs/dbraw/zinc/19/81/31/776198131.db2.gz ADOKWBPIRRBBTM-JGVFFNPUSA-N 1 2 294.315 -2.291 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)c2nccnc2N)[C@H](O)C1 ZINC001090135472 776198136 /nfs/dbraw/zinc/19/81/36/776198136.db2.gz ADOKWBPIRRBBTM-JGVFFNPUSA-N 1 2 294.315 -2.291 20 0 CAADLO Cc1nn(C)cc1C(=O)N[C@H]1CC[N@H+](CC(N)=O)C[C@@H]1O ZINC001090131972 776198189 /nfs/dbraw/zinc/19/81/89/776198189.db2.gz DJBKRNBJBDMLNO-QWRGUYRKSA-N 1 2 295.343 -1.621 20 0 CAADLO Cc1nn(C)cc1C(=O)N[C@H]1CC[N@@H+](CC(N)=O)C[C@@H]1O ZINC001090131972 776198193 /nfs/dbraw/zinc/19/81/93/776198193.db2.gz DJBKRNBJBDMLNO-QWRGUYRKSA-N 1 2 295.343 -1.621 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cscn2)[C@H](O)C1 ZINC001090134970 776198336 /nfs/dbraw/zinc/19/83/36/776198336.db2.gz RUQFBDZCZLEIDO-VXNVDRBHSA-N 1 2 284.341 -1.207 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cscn2)[C@H](O)C1 ZINC001090134970 776198339 /nfs/dbraw/zinc/19/83/39/776198339.db2.gz RUQFBDZCZLEIDO-VXNVDRBHSA-N 1 2 284.341 -1.207 20 0 CAADLO Cc1[nH]nc(C(=O)N[C@@H]2CC[N@H+](CC(N)=O)C[C@H]2O)c1C ZINC001090136526 776200550 /nfs/dbraw/zinc/20/05/50/776200550.db2.gz GBIOALIGYCZDJJ-NXEZZACHSA-N 1 2 295.343 -1.323 20 0 CAADLO Cc1[nH]nc(C(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C[C@H]2O)c1C ZINC001090136526 776200560 /nfs/dbraw/zinc/20/05/60/776200560.db2.gz GBIOALIGYCZDJJ-NXEZZACHSA-N 1 2 295.343 -1.323 20 0 CAADLO Cn1cc(CC(=O)N[C@H]2CC[N@H+](CC(N)=O)C[C@@H]2O)cn1 ZINC001090139118 776206386 /nfs/dbraw/zinc/20/63/86/776206386.db2.gz ZNPGIHAYGRVION-QWRGUYRKSA-N 1 2 295.343 -2.001 20 0 CAADLO Cn1cc(CC(=O)N[C@H]2CC[N@@H+](CC(N)=O)C[C@@H]2O)cn1 ZINC001090139118 776206389 /nfs/dbraw/zinc/20/63/89/776206389.db2.gz ZNPGIHAYGRVION-QWRGUYRKSA-N 1 2 295.343 -2.001 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)c2ccc(F)nc2)[C@@H](O)C1 ZINC001090138082 776206589 /nfs/dbraw/zinc/20/65/89/776206589.db2.gz RTRCMBNMTNKCHM-UWVGGRQHSA-N 1 2 296.302 -1.129 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)c2ccc(F)nc2)[C@@H](O)C1 ZINC001090138082 776206592 /nfs/dbraw/zinc/20/65/92/776206592.db2.gz RTRCMBNMTNKCHM-UWVGGRQHSA-N 1 2 296.302 -1.129 20 0 CAADLO Cn1cc(CC(=O)N[C@@H]2CC[N@H+](CC(N)=O)C[C@@H]2O)cn1 ZINC001090139117 776206731 /nfs/dbraw/zinc/20/67/31/776206731.db2.gz ZNPGIHAYGRVION-MNOVXSKESA-N 1 2 295.343 -2.001 20 0 CAADLO Cn1cc(CC(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C[C@@H]2O)cn1 ZINC001090139117 776206734 /nfs/dbraw/zinc/20/67/34/776206734.db2.gz ZNPGIHAYGRVION-MNOVXSKESA-N 1 2 295.343 -2.001 20 0 CAADLO CN1C[C@H](C(=O)NCC[NH2+]Cc2cnon2)CC1=O ZINC001128675105 776206811 /nfs/dbraw/zinc/20/68/11/776206811.db2.gz ZJPWRXFURHDDDB-MRVPVSSYSA-N 1 2 267.289 -1.246 20 0 CAADLO Cn1cc(CC(=O)N[C@@H]2CC[N@H+](CC(N)=O)C[C@H]2O)cn1 ZINC001090139116 776207433 /nfs/dbraw/zinc/20/74/33/776207433.db2.gz ZNPGIHAYGRVION-GHMZBOCLSA-N 1 2 295.343 -2.001 20 0 CAADLO Cn1cc(CC(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C[C@H]2O)cn1 ZINC001090139116 776207440 /nfs/dbraw/zinc/20/74/40/776207440.db2.gz ZNPGIHAYGRVION-GHMZBOCLSA-N 1 2 295.343 -2.001 20 0 CAADLO COCC(=O)NCCC(=O)NCC[NH2+]Cc1nnc(C)o1 ZINC001128686241 776207781 /nfs/dbraw/zinc/20/77/81/776207781.db2.gz NVOFZNQKXCUDCS-UHFFFAOYSA-N 1 2 299.331 -1.263 20 0 CAADLO O=C(C[C@@H]1CCC(=O)N1)N[C@@H]1C[N@@H+](CCF)C[C@@H]1O ZINC001083855876 776210814 /nfs/dbraw/zinc/21/08/14/776210814.db2.gz FODJKMIBJQRZBN-AEJSXWLSSA-N 1 2 273.308 -1.214 20 0 CAADLO O=C(C[C@@H]1CCC(=O)N1)N[C@@H]1C[N@H+](CCF)C[C@@H]1O ZINC001083855876 776210822 /nfs/dbraw/zinc/21/08/22/776210822.db2.gz FODJKMIBJQRZBN-AEJSXWLSSA-N 1 2 273.308 -1.214 20 0 CAADLO Cc1nc(C)c(C(=O)N[C@@H]2CC[N@H+](CC(N)=O)C[C@H]2O)o1 ZINC001090144665 776210923 /nfs/dbraw/zinc/21/09/23/776210923.db2.gz JTSUVPBZNHINQZ-NXEZZACHSA-N 1 2 296.327 -1.058 20 0 CAADLO Cc1nc(C)c(C(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C[C@H]2O)o1 ZINC001090144665 776210930 /nfs/dbraw/zinc/21/09/30/776210930.db2.gz JTSUVPBZNHINQZ-NXEZZACHSA-N 1 2 296.327 -1.058 20 0 CAADLO Cc1nc(C)c(C(=O)N[C@@H]2CC[N@H+](CC(N)=O)C[C@@H]2O)o1 ZINC001090144668 776211025 /nfs/dbraw/zinc/21/10/25/776211025.db2.gz JTSUVPBZNHINQZ-ZJUUUORDSA-N 1 2 296.327 -1.058 20 0 CAADLO Cc1nc(C)c(C(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C[C@@H]2O)o1 ZINC001090144668 776211031 /nfs/dbraw/zinc/21/10/31/776211031.db2.gz JTSUVPBZNHINQZ-ZJUUUORDSA-N 1 2 296.327 -1.058 20 0 CAADLO Cc1nc(C)c(C(=O)N[C@H]2CC[N@H+](CC(N)=O)C[C@H]2O)o1 ZINC001090144667 776211130 /nfs/dbraw/zinc/21/11/30/776211130.db2.gz JTSUVPBZNHINQZ-VHSXEESVSA-N 1 2 296.327 -1.058 20 0 CAADLO Cc1nc(C)c(C(=O)N[C@H]2CC[N@@H+](CC(N)=O)C[C@H]2O)o1 ZINC001090144667 776211134 /nfs/dbraw/zinc/21/11/34/776211134.db2.gz JTSUVPBZNHINQZ-VHSXEESVSA-N 1 2 296.327 -1.058 20 0 CAADLO Cc1ncc(C(=O)N[C@H]2CC[N@H+](CC(N)=O)C[C@H]2O)[nH]1 ZINC001090150355 776211850 /nfs/dbraw/zinc/21/18/50/776211850.db2.gz OLDCBSPTTGBGGN-WCBMZHEXSA-N 1 2 281.316 -1.632 20 0 CAADLO Cc1ncc(C(=O)N[C@H]2CC[N@@H+](CC(N)=O)C[C@H]2O)[nH]1 ZINC001090150355 776211855 /nfs/dbraw/zinc/21/18/55/776211855.db2.gz OLDCBSPTTGBGGN-WCBMZHEXSA-N 1 2 281.316 -1.632 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)C2CC=CC2)[C@H](O)C1 ZINC001090154586 776212224 /nfs/dbraw/zinc/21/22/24/776212224.db2.gz GUMKZEZHYXOBLB-GHMZBOCLSA-N 1 2 267.329 -1.011 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)C2CC=CC2)[C@H](O)C1 ZINC001090154586 776212230 /nfs/dbraw/zinc/21/22/30/776212230.db2.gz GUMKZEZHYXOBLB-GHMZBOCLSA-N 1 2 267.329 -1.011 20 0 CAADLO CCn1cc(C(=O)N[C@@H]2CC[N@H+](CC(N)=O)C[C@@H]2O)cn1 ZINC001090146473 776212372 /nfs/dbraw/zinc/21/23/72/776212372.db2.gz VJKQSCYUVNUXJG-MNOVXSKESA-N 1 2 295.343 -1.447 20 0 CAADLO CCn1cc(C(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C[C@@H]2O)cn1 ZINC001090146473 776212378 /nfs/dbraw/zinc/21/23/78/776212378.db2.gz VJKQSCYUVNUXJG-MNOVXSKESA-N 1 2 295.343 -1.447 20 0 CAADLO CCc1ocnc1C(=O)N[C@@H]1CC[N@H+](CC(N)=O)C[C@@H]1O ZINC001090151432 776212412 /nfs/dbraw/zinc/21/24/12/776212412.db2.gz RQXSIDYQLATLHR-BDAKNGLRSA-N 1 2 296.327 -1.113 20 0 CAADLO CCc1ocnc1C(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C[C@@H]1O ZINC001090151432 776212415 /nfs/dbraw/zinc/21/24/15/776212415.db2.gz RQXSIDYQLATLHR-BDAKNGLRSA-N 1 2 296.327 -1.113 20 0 CAADLO CCn1cc(C(=O)N[C@@H]2CC[N@H+](CC(N)=O)C[C@H]2O)cn1 ZINC001090146472 776212535 /nfs/dbraw/zinc/21/25/35/776212535.db2.gz VJKQSCYUVNUXJG-GHMZBOCLSA-N 1 2 295.343 -1.447 20 0 CAADLO CCn1cc(C(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C[C@H]2O)cn1 ZINC001090146472 776212538 /nfs/dbraw/zinc/21/25/38/776212538.db2.gz VJKQSCYUVNUXJG-GHMZBOCLSA-N 1 2 295.343 -1.447 20 0 CAADLO CCc1ocnc1C(=O)N[C@H]1CC[N@H+](CC(N)=O)C[C@@H]1O ZINC001090151437 776212598 /nfs/dbraw/zinc/21/25/98/776212598.db2.gz RQXSIDYQLATLHR-IUCAKERBSA-N 1 2 296.327 -1.113 20 0 CAADLO CCc1ocnc1C(=O)N[C@H]1CC[N@@H+](CC(N)=O)C[C@@H]1O ZINC001090151437 776212602 /nfs/dbraw/zinc/21/26/02/776212602.db2.gz RQXSIDYQLATLHR-IUCAKERBSA-N 1 2 296.327 -1.113 20 0 CAADLO CCc1ocnc1C(=O)N[C@@H]1CC[N@H+](CC(N)=O)C[C@H]1O ZINC001090151439 776212709 /nfs/dbraw/zinc/21/27/09/776212709.db2.gz RQXSIDYQLATLHR-RKDXNWHRSA-N 1 2 296.327 -1.113 20 0 CAADLO CCc1ocnc1C(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C[C@H]1O ZINC001090151439 776212712 /nfs/dbraw/zinc/21/27/12/776212712.db2.gz RQXSIDYQLATLHR-RKDXNWHRSA-N 1 2 296.327 -1.113 20 0 CAADLO O=C(N[C@@H]1C[N@@H+](CCF)C[C@@H]1O)C1CC(=O)NC(=O)C1 ZINC001083858395 776212744 /nfs/dbraw/zinc/21/27/44/776212744.db2.gz ASTNGBUFFVHAGM-BDAKNGLRSA-N 1 2 287.291 -1.830 20 0 CAADLO O=C(N[C@@H]1C[N@H+](CCF)C[C@@H]1O)C1CC(=O)NC(=O)C1 ZINC001083858395 776212749 /nfs/dbraw/zinc/21/27/49/776212749.db2.gz ASTNGBUFFVHAGM-BDAKNGLRSA-N 1 2 287.291 -1.830 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)C2CC=CC2)[C@@H](O)C1 ZINC001090154587 776212944 /nfs/dbraw/zinc/21/29/44/776212944.db2.gz GUMKZEZHYXOBLB-MNOVXSKESA-N 1 2 267.329 -1.011 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)C2CC=CC2)[C@@H](O)C1 ZINC001090154587 776212947 /nfs/dbraw/zinc/21/29/47/776212947.db2.gz GUMKZEZHYXOBLB-MNOVXSKESA-N 1 2 267.329 -1.011 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)c2ccncc2F)[C@H](O)C1 ZINC001090155622 776214122 /nfs/dbraw/zinc/21/41/22/776214122.db2.gz PBAKBXQHWRHAOU-WDEREUQCSA-N 1 2 296.302 -1.129 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)c2ccncc2F)[C@H](O)C1 ZINC001090155622 776214125 /nfs/dbraw/zinc/21/41/25/776214125.db2.gz PBAKBXQHWRHAOU-WDEREUQCSA-N 1 2 296.302 -1.129 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)Cc2cc[nH]n2)[C@H](O)C1 ZINC001090160331 776214137 /nfs/dbraw/zinc/21/41/37/776214137.db2.gz ZCPQJSAZRLUEDU-VHSXEESVSA-N 1 2 281.316 -2.011 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)Cc2cc[nH]n2)[C@H](O)C1 ZINC001090160331 776214139 /nfs/dbraw/zinc/21/41/39/776214139.db2.gz ZCPQJSAZRLUEDU-VHSXEESVSA-N 1 2 281.316 -2.011 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)Cc2cc[nH]n2)[C@@H](O)C1 ZINC001090160330 776214161 /nfs/dbraw/zinc/21/41/61/776214161.db2.gz ZCPQJSAZRLUEDU-UWVGGRQHSA-N 1 2 281.316 -2.011 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)Cc2cc[nH]n2)[C@@H](O)C1 ZINC001090160330 776214165 /nfs/dbraw/zinc/21/41/65/776214165.db2.gz ZCPQJSAZRLUEDU-UWVGGRQHSA-N 1 2 281.316 -2.011 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ccncc2F)[C@@H](O)C1 ZINC001090155620 776214178 /nfs/dbraw/zinc/21/41/78/776214178.db2.gz PBAKBXQHWRHAOU-MNOVXSKESA-N 1 2 296.302 -1.129 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)c2ccncc2F)[C@@H](O)C1 ZINC001090155620 776214180 /nfs/dbraw/zinc/21/41/80/776214180.db2.gz PBAKBXQHWRHAOU-MNOVXSKESA-N 1 2 296.302 -1.129 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ccncc2F)[C@H](O)C1 ZINC001090155619 776214357 /nfs/dbraw/zinc/21/43/57/776214357.db2.gz PBAKBXQHWRHAOU-GHMZBOCLSA-N 1 2 296.302 -1.129 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)c2ccncc2F)[C@H](O)C1 ZINC001090155619 776214361 /nfs/dbraw/zinc/21/43/61/776214361.db2.gz PBAKBXQHWRHAOU-GHMZBOCLSA-N 1 2 296.302 -1.129 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)c2ccncc2F)[C@@H](O)C1 ZINC001090155621 776214613 /nfs/dbraw/zinc/21/46/13/776214613.db2.gz PBAKBXQHWRHAOU-QWRGUYRKSA-N 1 2 296.302 -1.129 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)c2ccncc2F)[C@@H](O)C1 ZINC001090155621 776214621 /nfs/dbraw/zinc/21/46/21/776214621.db2.gz PBAKBXQHWRHAOU-QWRGUYRKSA-N 1 2 296.302 -1.129 20 0 CAADLO CNC(=O)NCC(=O)NCC[NH2+]Cc1nnc(C)o1 ZINC001128789544 776214663 /nfs/dbraw/zinc/21/46/63/776214663.db2.gz JXUURJLQVXNVNI-UHFFFAOYSA-N 1 2 270.293 -1.487 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cc2cc[nH]n2)[C@H](O)C1 ZINC001090157234 776215018 /nfs/dbraw/zinc/21/50/18/776215018.db2.gz ZHMNMTBVOWRFAO-GHMZBOCLSA-N 1 2 295.343 -1.750 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)Cc2cc[nH]n2)[C@H](O)C1 ZINC001090157234 776215027 /nfs/dbraw/zinc/21/50/27/776215027.db2.gz ZHMNMTBVOWRFAO-GHMZBOCLSA-N 1 2 295.343 -1.750 20 0 CAADLO Cc1c(C(=O)N[C@H]2CC[N@H+](CC(N)=O)C[C@@H]2O)nnn1C ZINC001090159715 776215092 /nfs/dbraw/zinc/21/50/92/776215092.db2.gz VJBRCROQVZMDMF-IUCAKERBSA-N 1 2 296.331 -2.226 20 0 CAADLO Cc1c(C(=O)N[C@H]2CC[N@@H+](CC(N)=O)C[C@@H]2O)nnn1C ZINC001090159715 776215098 /nfs/dbraw/zinc/21/50/98/776215098.db2.gz VJBRCROQVZMDMF-IUCAKERBSA-N 1 2 296.331 -2.226 20 0 CAADLO CNC(=O)NCC(=O)NCC[NH2+]Cc1csnn1 ZINC001128790081 776215728 /nfs/dbraw/zinc/21/57/28/776215728.db2.gz PCABYAKUEHZEHD-UHFFFAOYSA-N 1 2 272.334 -1.327 20 0 CAADLO Cc1[nH]ccc1C(=O)N[C@H]1CC[N@H+](CC(N)=O)C[C@@H]1O ZINC001090175925 776216084 /nfs/dbraw/zinc/21/60/84/776216084.db2.gz VVQKUGHZLDSTIX-QWRGUYRKSA-N 1 2 280.328 -1.027 20 0 CAADLO Cc1[nH]ccc1C(=O)N[C@H]1CC[N@@H+](CC(N)=O)C[C@@H]1O ZINC001090175925 776216092 /nfs/dbraw/zinc/21/60/92/776216092.db2.gz VVQKUGHZLDSTIX-QWRGUYRKSA-N 1 2 280.328 -1.027 20 0 CAADLO CNC(=O)NCC(=O)NCC[NH2+]Cc1ncccn1 ZINC001128790716 776216434 /nfs/dbraw/zinc/21/64/34/776216434.db2.gz YDHJJHYUEWLHTG-UHFFFAOYSA-N 1 2 266.305 -1.389 20 0 CAADLO CNC(=O)NCC(=O)NCC[NH2+]Cc1cnsn1 ZINC001128790220 776216534 /nfs/dbraw/zinc/21/65/34/776216534.db2.gz SFVPTMMTODNRJC-UHFFFAOYSA-N 1 2 272.334 -1.327 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2ccn(C)c2)[C@H](O)C1 ZINC001090190666 776219516 /nfs/dbraw/zinc/21/95/16/776219516.db2.gz ZERGHEMBQMPQKP-NWDGAFQWSA-N 1 2 294.355 -1.064 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)c2ccn(C)c2)[C@H](O)C1 ZINC001090190666 776219522 /nfs/dbraw/zinc/21/95/22/776219522.db2.gz ZERGHEMBQMPQKP-NWDGAFQWSA-N 1 2 294.355 -1.064 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cn(C)cn2)[C@H](O)C1 ZINC001090189203 776219655 /nfs/dbraw/zinc/21/96/55/776219655.db2.gz IUWIODSIWSRGMO-MWLCHTKSSA-N 1 2 295.343 -1.669 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cn(C)cn2)[C@H](O)C1 ZINC001090189203 776219661 /nfs/dbraw/zinc/21/96/61/776219661.db2.gz IUWIODSIWSRGMO-MWLCHTKSSA-N 1 2 295.343 -1.669 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cc2cccnc2)[C@@H](O)C1 ZINC001090196954 776220463 /nfs/dbraw/zinc/22/04/63/776220463.db2.gz ICSUNWLLKGIYFZ-NEPJUHHUSA-N 1 2 292.339 -1.339 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)Cc2cccnc2)[C@@H](O)C1 ZINC001090196954 776220466 /nfs/dbraw/zinc/22/04/66/776220466.db2.gz ICSUNWLLKGIYFZ-NEPJUHHUSA-N 1 2 292.339 -1.339 20 0 CAADLO Cn1ccc(C(=O)N[C@H]2CC[N@H+](CC(N)=O)C[C@@H]2O)c1 ZINC001090195651 776220571 /nfs/dbraw/zinc/22/05/71/776220571.db2.gz WQMFSFLARCYTNU-QWRGUYRKSA-N 1 2 280.328 -1.325 20 0 CAADLO Cn1ccc(C(=O)N[C@H]2CC[N@@H+](CC(N)=O)C[C@@H]2O)c1 ZINC001090195651 776220577 /nfs/dbraw/zinc/22/05/77/776220577.db2.gz WQMFSFLARCYTNU-QWRGUYRKSA-N 1 2 280.328 -1.325 20 0 CAADLO Cc1cc(C(=O)N[C@@H]2CC[N@H+](CC(N)=O)C[C@@H]2O)ncn1 ZINC001090201155 776222688 /nfs/dbraw/zinc/22/26/88/776222688.db2.gz QKIKDFASLSPHHG-KOLCDFICSA-N 1 2 293.327 -1.565 20 0 CAADLO Cc1cc(C(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C[C@@H]2O)ncn1 ZINC001090201155 776222693 /nfs/dbraw/zinc/22/26/93/776222693.db2.gz QKIKDFASLSPHHG-KOLCDFICSA-N 1 2 293.327 -1.565 20 0 CAADLO Cc1cc(C(=O)N[C@H]2CC[N@H+](CC(N)=O)C[C@H]2O)ncn1 ZINC001090201153 776224094 /nfs/dbraw/zinc/22/40/94/776224094.db2.gz QKIKDFASLSPHHG-GXSJLCMTSA-N 1 2 293.327 -1.565 20 0 CAADLO Cc1cc(C(=O)N[C@H]2CC[N@@H+](CC(N)=O)C[C@H]2O)ncn1 ZINC001090201153 776224099 /nfs/dbraw/zinc/22/40/99/776224099.db2.gz QKIKDFASLSPHHG-GXSJLCMTSA-N 1 2 293.327 -1.565 20 0 CAADLO CCc1nc(C(=O)N[C@H]2CC[N@H+](CC(N)=O)C[C@@H]2O)co1 ZINC001090208370 776224597 /nfs/dbraw/zinc/22/45/97/776224597.db2.gz CBMQHOZSDNCPMA-WPRPVWTQSA-N 1 2 296.327 -1.113 20 0 CAADLO CCc1nc(C(=O)N[C@H]2CC[N@@H+](CC(N)=O)C[C@@H]2O)co1 ZINC001090208370 776224607 /nfs/dbraw/zinc/22/46/07/776224607.db2.gz CBMQHOZSDNCPMA-WPRPVWTQSA-N 1 2 296.327 -1.113 20 0 CAADLO COc1cc(C(=O)N[C@@H]2CC[N@H+](CC(N)=O)C[C@@H]2O)on1 ZINC001090206845 776225117 /nfs/dbraw/zinc/22/51/17/776225117.db2.gz RAPBOZCDTVCDDY-SFYZADRCSA-N 1 2 298.299 -1.667 20 0 CAADLO COc1cc(C(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C[C@@H]2O)on1 ZINC001090206845 776225124 /nfs/dbraw/zinc/22/51/24/776225124.db2.gz RAPBOZCDTVCDDY-SFYZADRCSA-N 1 2 298.299 -1.667 20 0 CAADLO Cc1nc(C(=O)N[C@@H]2CC[N@H+](CC(N)=O)C[C@@H]2O)co1 ZINC001090207708 776225846 /nfs/dbraw/zinc/22/58/46/776225846.db2.gz XSRSSCFKKJYTTD-SCZZXKLOSA-N 1 2 282.300 -1.367 20 0 CAADLO Cc1nc(C(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C[C@@H]2O)co1 ZINC001090207708 776225851 /nfs/dbraw/zinc/22/58/51/776225851.db2.gz XSRSSCFKKJYTTD-SCZZXKLOSA-N 1 2 282.300 -1.367 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ccc(F)cn2)[C@@H](O)C1 ZINC001090210229 776225866 /nfs/dbraw/zinc/22/58/66/776225866.db2.gz MAJKUMGAKIIVLB-KOLCDFICSA-N 1 2 296.302 -1.129 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)c2ccc(F)cn2)[C@@H](O)C1 ZINC001090210229 776225871 /nfs/dbraw/zinc/22/58/71/776225871.db2.gz MAJKUMGAKIIVLB-KOLCDFICSA-N 1 2 296.302 -1.129 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cncnc2)[C@@H](O)C1 ZINC001090216530 776226704 /nfs/dbraw/zinc/22/67/04/776226704.db2.gz NIWUHTHESPBBKD-QWRGUYRKSA-N 1 2 293.327 -1.612 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cncnc2)[C@@H](O)C1 ZINC001090216530 776226708 /nfs/dbraw/zinc/22/67/08/776226708.db2.gz NIWUHTHESPBBKD-QWRGUYRKSA-N 1 2 293.327 -1.612 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C2=CCOCC2)[C@@H](O)C1 ZINC001090213662 776227212 /nfs/dbraw/zinc/22/72/12/776227212.db2.gz NYTILVMOUHETQM-NEPJUHHUSA-N 1 2 297.355 -1.370 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)C2=CCOCC2)[C@@H](O)C1 ZINC001090213662 776227217 /nfs/dbraw/zinc/22/72/17/776227217.db2.gz NYTILVMOUHETQM-NEPJUHHUSA-N 1 2 297.355 -1.370 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)C2=CCOCC2)[C@H](O)C1 ZINC001090212433 776227526 /nfs/dbraw/zinc/22/75/26/776227526.db2.gz CUOZACCJJLQLKX-GHMZBOCLSA-N 1 2 283.328 -1.630 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)C2=CCOCC2)[C@H](O)C1 ZINC001090212433 776227530 /nfs/dbraw/zinc/22/75/30/776227530.db2.gz CUOZACCJJLQLKX-GHMZBOCLSA-N 1 2 283.328 -1.630 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)C2=CCOCC2)[C@H](O)C1 ZINC001090212436 776227682 /nfs/dbraw/zinc/22/76/82/776227682.db2.gz CUOZACCJJLQLKX-WDEREUQCSA-N 1 2 283.328 -1.630 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)C2=CCOCC2)[C@H](O)C1 ZINC001090212436 776227688 /nfs/dbraw/zinc/22/76/88/776227688.db2.gz CUOZACCJJLQLKX-WDEREUQCSA-N 1 2 283.328 -1.630 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)C2=CCOCC2)[C@H](O)C1 ZINC001090213663 776227805 /nfs/dbraw/zinc/22/78/05/776227805.db2.gz NYTILVMOUHETQM-NWDGAFQWSA-N 1 2 297.355 -1.370 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)C2=CCOCC2)[C@H](O)C1 ZINC001090213663 776227810 /nfs/dbraw/zinc/22/78/10/776227810.db2.gz NYTILVMOUHETQM-NWDGAFQWSA-N 1 2 297.355 -1.370 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cc2ccoc2)[C@@H](O)C1 ZINC001090213603 776227946 /nfs/dbraw/zinc/22/79/46/776227946.db2.gz NBQYHOVZNCYFGB-MNOVXSKESA-N 1 2 281.312 -1.141 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)Cc2ccoc2)[C@@H](O)C1 ZINC001090213603 776227952 /nfs/dbraw/zinc/22/79/52/776227952.db2.gz NBQYHOVZNCYFGB-MNOVXSKESA-N 1 2 281.312 -1.141 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cn(C)nn2)[C@H](O)C1 ZINC001090225115 776229315 /nfs/dbraw/zinc/22/93/15/776229315.db2.gz LMNJOMOJMRJCJO-PSASIEDQSA-N 1 2 296.331 -2.274 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cn(C)nn2)[C@H](O)C1 ZINC001090225115 776229323 /nfs/dbraw/zinc/22/93/23/776229323.db2.gz LMNJOMOJMRJCJO-PSASIEDQSA-N 1 2 296.331 -2.274 20 0 CAADLO Cc1ccnc(C(=O)N[C@H]2CC[N@H+](CC(N)=O)C[C@@H]2O)n1 ZINC001090229886 776230373 /nfs/dbraw/zinc/23/03/73/776230373.db2.gz FOKVQRFPBCEIPG-UWVGGRQHSA-N 1 2 293.327 -1.565 20 0 CAADLO Cc1ccnc(C(=O)N[C@H]2CC[N@@H+](CC(N)=O)C[C@@H]2O)n1 ZINC001090229886 776230378 /nfs/dbraw/zinc/23/03/78/776230378.db2.gz FOKVQRFPBCEIPG-UWVGGRQHSA-N 1 2 293.327 -1.565 20 0 CAADLO Cn1nccc1CC(=O)N[C@@H]1CC[N@H+](CC(N)=O)C[C@H]1O ZINC001090227163 776230913 /nfs/dbraw/zinc/23/09/13/776230913.db2.gz IRYKDTZMSLEGCF-GHMZBOCLSA-N 1 2 295.343 -2.001 20 0 CAADLO Cn1nccc1CC(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C[C@H]1O ZINC001090227163 776230919 /nfs/dbraw/zinc/23/09/19/776230919.db2.gz IRYKDTZMSLEGCF-GHMZBOCLSA-N 1 2 295.343 -2.001 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)CCn2cncn2)[C@@H](O)C1 ZINC001099677955 776231890 /nfs/dbraw/zinc/23/18/90/776231890.db2.gz DCERUQRYXNJTAZ-ZJUUUORDSA-N 1 2 296.331 -2.295 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)CCn2cncn2)[C@@H](O)C1 ZINC001099677955 776231896 /nfs/dbraw/zinc/23/18/96/776231896.db2.gz DCERUQRYXNJTAZ-ZJUUUORDSA-N 1 2 296.331 -2.295 20 0 CAADLO Cn1cc(C(=O)N[C@@H]2CC[N@H+](CC(N)=O)C[C@H]2O)nn1 ZINC001090227747 776232806 /nfs/dbraw/zinc/23/28/06/776232806.db2.gz NWUCHANFNZHIPN-VXNVDRBHSA-N 1 2 282.304 -2.535 20 0 CAADLO Cn1cc(C(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C[C@H]2O)nn1 ZINC001090227747 776232810 /nfs/dbraw/zinc/23/28/10/776232810.db2.gz NWUCHANFNZHIPN-VXNVDRBHSA-N 1 2 282.304 -2.535 20 0 CAADLO Cn1nncc1C(=O)N[C@@H]1CC[N@H+](CCF)C[C@@H]1O ZINC001090237362 776233956 /nfs/dbraw/zinc/23/39/56/776233956.db2.gz NZLBIGXQOUJMEL-SCZZXKLOSA-N 1 2 271.296 -1.050 20 0 CAADLO Cn1nncc1C(=O)N[C@@H]1CC[N@@H+](CCF)C[C@@H]1O ZINC001090237362 776233959 /nfs/dbraw/zinc/23/39/59/776233959.db2.gz NZLBIGXQOUJMEL-SCZZXKLOSA-N 1 2 271.296 -1.050 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cnnn2C)[C@@H](O)C1 ZINC001090237278 776233974 /nfs/dbraw/zinc/23/39/74/776233974.db2.gz MVUSMAIBIGTPQE-SCZZXKLOSA-N 1 2 296.331 -2.274 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cnnn2C)[C@@H](O)C1 ZINC001090237278 776233981 /nfs/dbraw/zinc/23/39/81/776233981.db2.gz MVUSMAIBIGTPQE-SCZZXKLOSA-N 1 2 296.331 -2.274 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cnnn2C)[C@@H](O)C1 ZINC001090237280 776234121 /nfs/dbraw/zinc/23/41/21/776234121.db2.gz MVUSMAIBIGTPQE-WPRPVWTQSA-N 1 2 296.331 -2.274 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cnnn2C)[C@@H](O)C1 ZINC001090237280 776234125 /nfs/dbraw/zinc/23/41/25/776234125.db2.gz MVUSMAIBIGTPQE-WPRPVWTQSA-N 1 2 296.331 -2.274 20 0 CAADLO Cn1nnc(C(=O)NC[C@@]2(C)C[N@H+](CCO)CCO2)n1 ZINC001108138007 776234417 /nfs/dbraw/zinc/23/44/17/776234417.db2.gz FXJUBMPEXRHDPP-NSHDSACASA-N 1 2 284.320 -1.977 20 0 CAADLO Cn1nnc(C(=O)NC[C@@]2(C)C[N@@H+](CCO)CCO2)n1 ZINC001108138007 776234419 /nfs/dbraw/zinc/23/44/19/776234419.db2.gz FXJUBMPEXRHDPP-NSHDSACASA-N 1 2 284.320 -1.977 20 0 CAADLO Cn1nncc1C(=O)N[C@@H]1CC[N@H+](CC(N)=O)C[C@@H]1O ZINC001090241387 776234443 /nfs/dbraw/zinc/23/44/43/776234443.db2.gz SBGXWTOASGVQEF-APPZFPTMSA-N 1 2 282.304 -2.535 20 0 CAADLO Cn1nncc1C(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C[C@@H]1O ZINC001090241387 776234444 /nfs/dbraw/zinc/23/44/44/776234444.db2.gz SBGXWTOASGVQEF-APPZFPTMSA-N 1 2 282.304 -2.535 20 0 CAADLO CCn1ccnc1C(=O)N[C@@H]1CC[N@H+](CC(N)=O)C[C@H]1O ZINC001090233800 776234530 /nfs/dbraw/zinc/23/45/30/776234530.db2.gz KIFBEJJPLVTZJE-NXEZZACHSA-N 1 2 295.343 -1.447 20 0 CAADLO CCn1ccnc1C(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C[C@H]1O ZINC001090233800 776234532 /nfs/dbraw/zinc/23/45/32/776234532.db2.gz KIFBEJJPLVTZJE-NXEZZACHSA-N 1 2 295.343 -1.447 20 0 CAADLO Cc1nnc(CC(=O)N[C@@H]2CC[N@H+](CC(N)=O)C[C@@H]2O)o1 ZINC001090240319 776235075 /nfs/dbraw/zinc/23/50/75/776235075.db2.gz INDRPAUVJXPOLP-BDAKNGLRSA-N 1 2 297.315 -2.043 20 0 CAADLO Cc1nnc(CC(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C[C@@H]2O)o1 ZINC001090240319 776235082 /nfs/dbraw/zinc/23/50/82/776235082.db2.gz INDRPAUVJXPOLP-BDAKNGLRSA-N 1 2 297.315 -2.043 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ncn(C)n2)[C@@H](O)C1 ZINC001090246166 776235845 /nfs/dbraw/zinc/23/58/45/776235845.db2.gz JCXJGUARIAFYEW-BDAKNGLRSA-N 1 2 296.331 -2.274 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2ncn(C)n2)[C@@H](O)C1 ZINC001090246166 776235846 /nfs/dbraw/zinc/23/58/46/776235846.db2.gz JCXJGUARIAFYEW-BDAKNGLRSA-N 1 2 296.331 -2.274 20 0 CAADLO Cn1cc(C(=O)N[C@@H]2CC[N@H+](CCF)C[C@H]2O)nn1 ZINC001090242262 776235911 /nfs/dbraw/zinc/23/59/11/776235911.db2.gz WXXGOIBSDDVYGI-PSASIEDQSA-N 1 2 271.296 -1.050 20 0 CAADLO Cn1cc(C(=O)N[C@@H]2CC[N@@H+](CCF)C[C@H]2O)nn1 ZINC001090242262 776235912 /nfs/dbraw/zinc/23/59/12/776235912.db2.gz WXXGOIBSDDVYGI-PSASIEDQSA-N 1 2 271.296 -1.050 20 0 CAADLO Cn1cnc(C(=O)N[C@H]2CC[N@H+](CC(N)=O)C[C@H]2O)n1 ZINC001090246840 776236059 /nfs/dbraw/zinc/23/60/59/776236059.db2.gz OMWBHIZLZUZGOA-JGVFFNPUSA-N 1 2 282.304 -2.535 20 0 CAADLO Cn1cnc(C(=O)N[C@H]2CC[N@@H+](CC(N)=O)C[C@H]2O)n1 ZINC001090246840 776236064 /nfs/dbraw/zinc/23/60/64/776236064.db2.gz OMWBHIZLZUZGOA-JGVFFNPUSA-N 1 2 282.304 -2.535 20 0 CAADLO Cn1cnc(C(=O)N[C@@H]2CC[N@H+](CCF)C[C@H]2O)n1 ZINC001090247530 776236453 /nfs/dbraw/zinc/23/64/53/776236453.db2.gz XAHUHXDHTAAENO-RKDXNWHRSA-N 1 2 271.296 -1.050 20 0 CAADLO Cn1cnc(C(=O)N[C@@H]2CC[N@@H+](CCF)C[C@H]2O)n1 ZINC001090247530 776236460 /nfs/dbraw/zinc/23/64/60/776236460.db2.gz XAHUHXDHTAAENO-RKDXNWHRSA-N 1 2 271.296 -1.050 20 0 CAADLO Cn1cc(C(=O)N[C@H]2CC[N@H+](CCF)C[C@H]2O)nn1 ZINC001090242264 776236650 /nfs/dbraw/zinc/23/66/50/776236650.db2.gz WXXGOIBSDDVYGI-WCBMZHEXSA-N 1 2 271.296 -1.050 20 0 CAADLO Cn1cc(C(=O)N[C@H]2CC[N@@H+](CCF)C[C@H]2O)nn1 ZINC001090242264 776236658 /nfs/dbraw/zinc/23/66/58/776236658.db2.gz WXXGOIBSDDVYGI-WCBMZHEXSA-N 1 2 271.296 -1.050 20 0 CAADLO NC(=O)C(=O)N1CCOC[C@@H]1CNC(=O)Cc1[nH]cc[nH+]1 ZINC001061817413 776237501 /nfs/dbraw/zinc/23/75/01/776237501.db2.gz GQDVOPHZIXDQNO-QMMMGPOBSA-N 1 2 295.299 -2.219 20 0 CAADLO COCC(=O)N1CCOC[C@H]1CNC(=O)Cc1[nH]cc[nH+]1 ZINC001061815972 776237591 /nfs/dbraw/zinc/23/75/91/776237591.db2.gz GXCUOJURSKRFER-SNVBAGLBSA-N 1 2 296.327 -1.058 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)c2ncc[nH]2)[C@H](O)C1 ZINC001090250808 776237612 /nfs/dbraw/zinc/23/76/12/776237612.db2.gz FWNQQMXYVAHSNQ-JGVFFNPUSA-N 1 2 267.289 -1.940 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)c2ncc[nH]2)[C@H](O)C1 ZINC001090250808 776237615 /nfs/dbraw/zinc/23/76/15/776237615.db2.gz FWNQQMXYVAHSNQ-JGVFFNPUSA-N 1 2 267.289 -1.940 20 0 CAADLO NC(=O)C(=O)N1CCOC[C@H]1CNC(=O)Cc1[nH]cc[nH+]1 ZINC001061817409 776237665 /nfs/dbraw/zinc/23/76/65/776237665.db2.gz GQDVOPHZIXDQNO-MRVPVSSYSA-N 1 2 295.299 -2.219 20 0 CAADLO Cc1nnc(CC(=O)N[C@H]2CC[N@H+](CC(N)=O)C[C@@H]2O)[nH]1 ZINC001090255625 776238317 /nfs/dbraw/zinc/23/83/17/776238317.db2.gz GNVOKCCBZAVJEM-IUCAKERBSA-N 1 2 296.331 -2.308 20 0 CAADLO Cc1nnc(CC(=O)N[C@H]2CC[N@@H+](CC(N)=O)C[C@@H]2O)[nH]1 ZINC001090255625 776238327 /nfs/dbraw/zinc/23/83/27/776238327.db2.gz GNVOKCCBZAVJEM-IUCAKERBSA-N 1 2 296.331 -2.308 20 0 CAADLO Cc1c[nH]nc1C(=O)N[C@@H]1CC[N@H+](CC(N)=O)C[C@H]1O ZINC001090251276 776238684 /nfs/dbraw/zinc/23/86/84/776238684.db2.gz HXUMGCVUZLVVRD-RKDXNWHRSA-N 1 2 281.316 -1.632 20 0 CAADLO Cc1c[nH]nc1C(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C[C@H]1O ZINC001090251276 776238691 /nfs/dbraw/zinc/23/86/91/776238691.db2.gz HXUMGCVUZLVVRD-RKDXNWHRSA-N 1 2 281.316 -1.632 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2n[nH]cc2C)[C@H](O)C1 ZINC001090253136 776238733 /nfs/dbraw/zinc/23/87/33/776238733.db2.gz ZPUCPLGOLMZFIJ-NXEZZACHSA-N 1 2 295.343 -1.371 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2n[nH]cc2C)[C@H](O)C1 ZINC001090253136 776238737 /nfs/dbraw/zinc/23/87/37/776238737.db2.gz ZPUCPLGOLMZFIJ-NXEZZACHSA-N 1 2 295.343 -1.371 20 0 CAADLO NC(=O)C(=O)NC[C@H]1COCCN1C(=O)Cn1cc[nH+]c1 ZINC001061836452 776239625 /nfs/dbraw/zinc/23/96/25/776239625.db2.gz NUXZWXJEQQMZSB-VIFPVBQESA-N 1 2 295.299 -2.288 20 0 CAADLO NC(=O)C(=O)NC[C@@H]1COCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001061841369 776240255 /nfs/dbraw/zinc/24/02/55/776240255.db2.gz ZBRQALZHYYYPSI-MRVPVSSYSA-N 1 2 295.299 -2.219 20 0 CAADLO NC(=O)C(=O)NC[C@@H]1COCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001061844955 776244560 /nfs/dbraw/zinc/24/45/60/776244560.db2.gz ZYXDLEWQVVUVMZ-SECBINFHSA-N 1 2 295.299 -2.219 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)CCn2cccn2)[C@H](O)C1 ZINC001099684113 776246090 /nfs/dbraw/zinc/24/60/90/776246090.db2.gz NCAVNLTUDAOIPZ-WDEREUQCSA-N 1 2 295.343 -1.690 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)CCn2cccn2)[C@H](O)C1 ZINC001099684113 776246092 /nfs/dbraw/zinc/24/60/92/776246092.db2.gz NCAVNLTUDAOIPZ-WDEREUQCSA-N 1 2 295.343 -1.690 20 0 CAADLO NC(=O)C(=O)NC[C@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001062364480 776251495 /nfs/dbraw/zinc/25/14/95/776251495.db2.gz WNCOULVJJUHNGD-SNVBAGLBSA-N 1 2 293.327 -1.065 20 0 CAADLO NC(=O)C(=O)N1CCCC[C@@H]1CNC(=O)Cc1c[nH]c[nH+]1 ZINC001062331111 776251628 /nfs/dbraw/zinc/25/16/28/776251628.db2.gz CFQMPJCVLUDWBB-SNVBAGLBSA-N 1 2 293.327 -1.065 20 0 CAADLO CO[C@@H](C)C[N@@H+]1C[C@@H](NC(=O)c2ncn[nH]2)[C@@H](O)C1 ZINC001083873584 776255490 /nfs/dbraw/zinc/25/54/90/776255490.db2.gz GTTHGJXSVIHMRU-YIZRAAEISA-N 1 2 269.305 -1.386 20 0 CAADLO CO[C@@H](C)C[N@H+]1C[C@@H](NC(=O)c2nc[nH]n2)[C@@H](O)C1 ZINC001083873584 776255492 /nfs/dbraw/zinc/25/54/92/776255492.db2.gz GTTHGJXSVIHMRU-YIZRAAEISA-N 1 2 269.305 -1.386 20 0 CAADLO CO[C@@H](C)C[N@@H+]1C[C@@H](NC(=O)c2nc[nH]n2)[C@@H](O)C1 ZINC001083873584 776255496 /nfs/dbraw/zinc/25/54/96/776255496.db2.gz GTTHGJXSVIHMRU-YIZRAAEISA-N 1 2 269.305 -1.386 20 0 CAADLO O=C(N[C@@H]1C[N@H+](CCCF)C[C@@H]1O)c1ncn[nH]1 ZINC001083873588 776255565 /nfs/dbraw/zinc/25/55/65/776255565.db2.gz GZRGJNZMVOYHMS-SFYZADRCSA-N 1 2 257.269 -1.061 20 0 CAADLO O=C(N[C@@H]1C[N@@H+](CCCF)C[C@@H]1O)c1nc[nH]n1 ZINC001083873588 776255568 /nfs/dbraw/zinc/25/55/68/776255568.db2.gz GZRGJNZMVOYHMS-SFYZADRCSA-N 1 2 257.269 -1.061 20 0 CAADLO O=C(N[C@@H]1C[N@H+](CCCF)C[C@@H]1O)c1nc[nH]n1 ZINC001083873588 776255571 /nfs/dbraw/zinc/25/55/71/776255571.db2.gz GZRGJNZMVOYHMS-SFYZADRCSA-N 1 2 257.269 -1.061 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cn2ncnn2)[C@H](O)C1 ZINC001090269914 776260739 /nfs/dbraw/zinc/26/07/39/776260739.db2.gz VBLYSGWDDGOMBJ-HTQZYQBOSA-N 1 2 283.292 -3.290 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)Cn2ncnn2)[C@H](O)C1 ZINC001090269914 776260741 /nfs/dbraw/zinc/26/07/41/776260741.db2.gz VBLYSGWDDGOMBJ-HTQZYQBOSA-N 1 2 283.292 -3.290 20 0 CAADLO Cn1c[nH+]cc1CN1C[C@@H](NC(=O)c2cnon2)[C@@H](O)C1 ZINC001083878038 776261118 /nfs/dbraw/zinc/26/11/18/776261118.db2.gz ZPMBTZMCUAYCQD-MNOVXSKESA-N 1 2 292.299 -1.222 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cn2ncnn2)[C@@H](O)C1 ZINC001090269924 776261451 /nfs/dbraw/zinc/26/14/51/776261451.db2.gz VBLYSGWDDGOMBJ-SFYZADRCSA-N 1 2 283.292 -3.290 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)Cn2ncnn2)[C@@H](O)C1 ZINC001090269924 776261458 /nfs/dbraw/zinc/26/14/58/776261458.db2.gz VBLYSGWDDGOMBJ-SFYZADRCSA-N 1 2 283.292 -3.290 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)Cc2ccco2)[C@@H](O)C1 ZINC001083878091 776261596 /nfs/dbraw/zinc/26/15/96/776261596.db2.gz BMEPVRIJBVCMNM-GDPRMGEGSA-N 1 2 281.312 -1.143 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)Cc2ccco2)[C@@H](O)C1 ZINC001083878091 776261599 /nfs/dbraw/zinc/26/15/99/776261599.db2.gz BMEPVRIJBVCMNM-GDPRMGEGSA-N 1 2 281.312 -1.143 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)Cc2ccco2)[C@@H](O)C1 ZINC001083878092 776261832 /nfs/dbraw/zinc/26/18/32/776261832.db2.gz BMEPVRIJBVCMNM-IEBDPFPHSA-N 1 2 281.312 -1.143 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)Cc2ccco2)[C@@H](O)C1 ZINC001083878092 776261835 /nfs/dbraw/zinc/26/18/35/776261835.db2.gz BMEPVRIJBVCMNM-IEBDPFPHSA-N 1 2 281.312 -1.143 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cc[nH]c2)[C@H](O)C1 ZINC001090278594 776265332 /nfs/dbraw/zinc/26/53/32/776265332.db2.gz DYHIXIRHZWEVJJ-WDEREUQCSA-N 1 2 280.328 -1.074 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cc[nH]c2)[C@H](O)C1 ZINC001090278594 776265338 /nfs/dbraw/zinc/26/53/38/776265338.db2.gz DYHIXIRHZWEVJJ-WDEREUQCSA-N 1 2 280.328 -1.074 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cc[nH]c2)[C@@H](O)C1 ZINC001090278592 776265732 /nfs/dbraw/zinc/26/57/32/776265732.db2.gz DYHIXIRHZWEVJJ-MNOVXSKESA-N 1 2 280.328 -1.074 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cc[nH]c2)[C@@H](O)C1 ZINC001090278592 776265737 /nfs/dbraw/zinc/26/57/37/776265737.db2.gz DYHIXIRHZWEVJJ-MNOVXSKESA-N 1 2 280.328 -1.074 20 0 CAADLO O=C(N[C@@H]1C[N@H+](CCO)C[C@@H]1O)c1nccs1 ZINC001083884288 776266049 /nfs/dbraw/zinc/26/60/49/776266049.db2.gz VNFFZSNJIQXDAV-SFYZADRCSA-N 1 2 257.315 -1.090 20 0 CAADLO O=C(N[C@@H]1C[N@@H+](CCO)C[C@@H]1O)c1nccs1 ZINC001083884288 776266052 /nfs/dbraw/zinc/26/60/52/776266052.db2.gz VNFFZSNJIQXDAV-SFYZADRCSA-N 1 2 257.315 -1.090 20 0 CAADLO CC(=O)N(C)CC(=O)N[C@H]1CC[N@H+](CC(N)=O)C[C@H]1O ZINC001099690829 776267378 /nfs/dbraw/zinc/26/73/78/776267378.db2.gz VRXHHIZCRIWSRQ-VHSXEESVSA-N 1 2 286.332 -2.499 20 0 CAADLO CC(=O)N(C)CC(=O)N[C@H]1CC[N@@H+](CC(N)=O)C[C@H]1O ZINC001099690829 776267383 /nfs/dbraw/zinc/26/73/83/776267383.db2.gz VRXHHIZCRIWSRQ-VHSXEESVSA-N 1 2 286.332 -2.499 20 0 CAADLO CC(=O)N(C)CC(=O)N[C@@H]1CC[N@H+](CC(N)=O)C[C@@H]1O ZINC001099690830 776267442 /nfs/dbraw/zinc/26/74/42/776267442.db2.gz VRXHHIZCRIWSRQ-ZJUUUORDSA-N 1 2 286.332 -2.499 20 0 CAADLO CC(=O)N(C)CC(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C[C@@H]1O ZINC001099690830 776267444 /nfs/dbraw/zinc/26/74/44/776267444.db2.gz VRXHHIZCRIWSRQ-ZJUUUORDSA-N 1 2 286.332 -2.499 20 0 CAADLO C[C@@H](CNC(=O)CCc1c[nH]c[nH+]1)N(C)C(=O)C(N)=O ZINC001280504193 776268708 /nfs/dbraw/zinc/26/87/08/776268708.db2.gz PODIFQMDTURVPY-QMMMGPOBSA-N 1 2 281.316 -1.209 20 0 CAADLO C[C@@H](CNC(=O)CCc1c[nH+]c[nH]1)N(C)C(=O)C(N)=O ZINC001280504193 776268713 /nfs/dbraw/zinc/26/87/13/776268713.db2.gz PODIFQMDTURVPY-QMMMGPOBSA-N 1 2 281.316 -1.209 20 0 CAADLO CC1(C(=O)N[C@H]2CC[N@H+](CC(N)=O)C[C@H]2O)CC1 ZINC001090286620 776269010 /nfs/dbraw/zinc/26/90/10/776269010.db2.gz PIQZISAWZSHIRM-DTWKUNHWSA-N 1 2 255.318 -1.177 20 0 CAADLO CC1(C(=O)N[C@H]2CC[N@@H+](CC(N)=O)C[C@H]2O)CC1 ZINC001090286620 776269013 /nfs/dbraw/zinc/26/90/13/776269013.db2.gz PIQZISAWZSHIRM-DTWKUNHWSA-N 1 2 255.318 -1.177 20 0 CAADLO CC1(C(=O)N[C@@H]2CC[N@H+](CC(N)=O)C[C@@H]2O)CC1 ZINC001090286619 776269118 /nfs/dbraw/zinc/26/91/18/776269118.db2.gz PIQZISAWZSHIRM-BDAKNGLRSA-N 1 2 255.318 -1.177 20 0 CAADLO CC1(C(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C[C@@H]2O)CC1 ZINC001090286619 776269126 /nfs/dbraw/zinc/26/91/26/776269126.db2.gz PIQZISAWZSHIRM-BDAKNGLRSA-N 1 2 255.318 -1.177 20 0 CAADLO CC1(C(=O)N[C@@H]2CC[N@H+](CC(N)=O)C[C@H]2O)CC1 ZINC001090286622 776269173 /nfs/dbraw/zinc/26/91/73/776269173.db2.gz PIQZISAWZSHIRM-RKDXNWHRSA-N 1 2 255.318 -1.177 20 0 CAADLO CC1(C(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C[C@H]2O)CC1 ZINC001090286622 776269180 /nfs/dbraw/zinc/26/91/80/776269180.db2.gz PIQZISAWZSHIRM-RKDXNWHRSA-N 1 2 255.318 -1.177 20 0 CAADLO CC(C)OCCC(=O)N[C@H]1CC[N@H+](CC(N)=O)C[C@@H]1O ZINC001099692817 776270152 /nfs/dbraw/zinc/27/01/52/776270152.db2.gz HQLJTPBURPCJMK-QWRGUYRKSA-N 1 2 287.360 -1.162 20 0 CAADLO CC(C)OCCC(=O)N[C@H]1CC[N@@H+](CC(N)=O)C[C@@H]1O ZINC001099692817 776270159 /nfs/dbraw/zinc/27/01/59/776270159.db2.gz HQLJTPBURPCJMK-QWRGUYRKSA-N 1 2 287.360 -1.162 20 0 CAADLO O=C(Cc1ncc[nH]1)N[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@@H]1O ZINC001083891424 776272581 /nfs/dbraw/zinc/27/25/81/776272581.db2.gz KXSMVQZTKCGXLN-BBBLOLIVSA-N 1 2 293.327 -1.998 20 0 CAADLO O=C(Cc1ncc[nH]1)N[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@@H]1O ZINC001083891424 776272587 /nfs/dbraw/zinc/27/25/87/776272587.db2.gz KXSMVQZTKCGXLN-BBBLOLIVSA-N 1 2 293.327 -1.998 20 0 CAADLO O=C(Cc1ncc[nH]1)N[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@@H]1O ZINC001083891425 776273202 /nfs/dbraw/zinc/27/32/02/776273202.db2.gz KXSMVQZTKCGXLN-UTLUCORTSA-N 1 2 293.327 -1.998 20 0 CAADLO O=C(Cc1ncc[nH]1)N[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@@H]1O ZINC001083891425 776273209 /nfs/dbraw/zinc/27/32/09/776273209.db2.gz KXSMVQZTKCGXLN-UTLUCORTSA-N 1 2 293.327 -1.998 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)Cc2ncc[nH]2)[C@@H](O)C1 ZINC001083892251 776273772 /nfs/dbraw/zinc/27/37/72/776273772.db2.gz RUYAOHPZTWKOEG-BBBLOLIVSA-N 1 2 295.343 -1.752 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)Cc2ncc[nH]2)[C@@H](O)C1 ZINC001083892251 776273780 /nfs/dbraw/zinc/27/37/80/776273780.db2.gz RUYAOHPZTWKOEG-BBBLOLIVSA-N 1 2 295.343 -1.752 20 0 CAADLO CN(C)C(=O)C[N@H+]1C[C@@H](NC(=O)[C@]2(C)CCOC2)[C@@H](O)C1 ZINC001083893562 776274354 /nfs/dbraw/zinc/27/43/54/776274354.db2.gz XTVMRQOYMOGMRC-UHIISALHSA-N 1 2 299.371 -1.338 20 0 CAADLO CN(C)C(=O)C[N@@H+]1C[C@@H](NC(=O)[C@]2(C)CCOC2)[C@@H](O)C1 ZINC001083893562 776274359 /nfs/dbraw/zinc/27/43/59/776274359.db2.gz XTVMRQOYMOGMRC-UHIISALHSA-N 1 2 299.371 -1.338 20 0 CAADLO Cn1[nH]c(C[NH2+]CCNC(=O)C[C@H]2CCNC2=O)nc1=O ZINC001129298178 776274390 /nfs/dbraw/zinc/27/43/90/776274390.db2.gz QYQRZOCDCJIVSE-MRVPVSSYSA-N 1 2 296.331 -2.160 20 0 CAADLO NC(=O)C(=O)NC1(CNC(=O)Cc2[nH]cc[nH+]2)CCC1 ZINC001064207827 776278899 /nfs/dbraw/zinc/27/88/99/776278899.db2.gz ZDGXYKPOGIXYJZ-UHFFFAOYSA-N 1 2 279.300 -1.407 20 0 CAADLO C[N@@H+]1CCO[C@@H](C(=O)NC2(CNC(=O)C(N)=O)CCC2)C1 ZINC001064289631 776280225 /nfs/dbraw/zinc/28/02/25/776280225.db2.gz DATQSJTXGLPJOQ-SECBINFHSA-N 1 2 298.343 -2.043 20 0 CAADLO C[N@H+]1CCO[C@@H](C(=O)NC2(CNC(=O)C(N)=O)CCC2)C1 ZINC001064289631 776280233 /nfs/dbraw/zinc/28/02/33/776280233.db2.gz DATQSJTXGLPJOQ-SECBINFHSA-N 1 2 298.343 -2.043 20 0 CAADLO NC(=O)C(=O)NCC1(NC(=O)CCc2c[nH]c[nH+]2)CCC1 ZINC001064296496 776281310 /nfs/dbraw/zinc/28/13/10/776281310.db2.gz HEDDTNQUHUDHJN-UHFFFAOYSA-N 1 2 293.327 -1.017 20 0 CAADLO NC(=O)C(=O)NCC1(NC(=O)CCc2c[nH+]c[nH]2)CCC1 ZINC001064296496 776281320 /nfs/dbraw/zinc/28/13/20/776281320.db2.gz HEDDTNQUHUDHJN-UHFFFAOYSA-N 1 2 293.327 -1.017 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cn2nccn2)[C@H](O)C1 ZINC001090296373 776285314 /nfs/dbraw/zinc/28/53/14/776285314.db2.gz ZSMFYZNUHCCOMQ-NXEZZACHSA-N 1 2 296.331 -2.425 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)Cn2nccn2)[C@H](O)C1 ZINC001090296373 776285321 /nfs/dbraw/zinc/28/53/21/776285321.db2.gz ZSMFYZNUHCCOMQ-NXEZZACHSA-N 1 2 296.331 -2.425 20 0 CAADLO NC(=O)CC(=O)NC1(CNC(=O)Cc2c[nH]c[nH+]2)CCC1 ZINC001064702730 776285404 /nfs/dbraw/zinc/28/54/04/776285404.db2.gz NZHAPFNLPZEKRF-UHFFFAOYSA-N 1 2 293.327 -1.017 20 0 CAADLO O=C(N[C@@H]1CC[N@@H+](CCO)C[C@H]1O)C1CS(=O)(=O)C1 ZINC001090294554 776285942 /nfs/dbraw/zinc/28/59/42/776285942.db2.gz ZGGQMWOKSVSOFZ-NXEZZACHSA-N 1 2 292.357 -2.425 20 0 CAADLO O=C(N[C@@H]1CC[N@H+](CCO)C[C@H]1O)C1CS(=O)(=O)C1 ZINC001090294554 776285948 /nfs/dbraw/zinc/28/59/48/776285948.db2.gz ZGGQMWOKSVSOFZ-NXEZZACHSA-N 1 2 292.357 -2.425 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)Cn2nccn2)[C@@H](O)C1 ZINC001090297329 776286542 /nfs/dbraw/zinc/28/65/42/776286542.db2.gz IFMFGIWCKUWAOZ-IUCAKERBSA-N 1 2 282.304 -2.685 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)Cn2nccn2)[C@@H](O)C1 ZINC001090297329 776286546 /nfs/dbraw/zinc/28/65/46/776286546.db2.gz IFMFGIWCKUWAOZ-IUCAKERBSA-N 1 2 282.304 -2.685 20 0 CAADLO Cc1ncc(CC(=O)N[C@@H]2CC[N@H+](CC(N)=O)C[C@H]2O)o1 ZINC001090321725 776291655 /nfs/dbraw/zinc/29/16/55/776291655.db2.gz HXWXJPOZKHHRBW-GHMZBOCLSA-N 1 2 296.327 -1.438 20 0 CAADLO Cc1ncc(CC(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C[C@H]2O)o1 ZINC001090321725 776291661 /nfs/dbraw/zinc/29/16/61/776291661.db2.gz HXWXJPOZKHHRBW-GHMZBOCLSA-N 1 2 296.327 -1.438 20 0 CAADLO Cc1[nH]c(=O)[nH]c1C(=O)N[C@H]1CC[N@H+](CC(N)=O)C[C@H]1O ZINC001090345068 776294077 /nfs/dbraw/zinc/29/40/77/776294077.db2.gz RDUJIEMWRDOLEN-JGVFFNPUSA-N 1 2 297.315 -1.926 20 0 CAADLO Cc1[nH]c(=O)[nH]c1C(=O)N[C@H]1CC[N@@H+](CC(N)=O)C[C@H]1O ZINC001090345068 776294083 /nfs/dbraw/zinc/29/40/83/776294083.db2.gz RDUJIEMWRDOLEN-JGVFFNPUSA-N 1 2 297.315 -1.926 20 0 CAADLO COC[C@@H]1C[C@@H](O)CN1C(=O)C(=O)NCCn1cc[nH+]c1 ZINC001118279002 776294428 /nfs/dbraw/zinc/29/44/28/776294428.db2.gz PCEGADUDZXVHHF-WDEREUQCSA-N 1 2 296.327 -1.393 20 0 CAADLO Cc1ncn(C)c1C(=O)N[C@H]1CC[N@H+](CC(N)=O)C[C@@H]1O ZINC001090337346 776294554 /nfs/dbraw/zinc/29/45/54/776294554.db2.gz DUIXDAQVSSJYPU-UWVGGRQHSA-N 1 2 295.343 -1.621 20 0 CAADLO Cc1ncn(C)c1C(=O)N[C@H]1CC[N@@H+](CC(N)=O)C[C@@H]1O ZINC001090337346 776294560 /nfs/dbraw/zinc/29/45/60/776294560.db2.gz DUIXDAQVSSJYPU-UWVGGRQHSA-N 1 2 295.343 -1.621 20 0 CAADLO Cc1ncn(C)c1C(=O)N[C@@H]1CC[N@H+](CC(N)=O)C[C@H]1O ZINC001090337345 776294571 /nfs/dbraw/zinc/29/45/71/776294571.db2.gz DUIXDAQVSSJYPU-NXEZZACHSA-N 1 2 295.343 -1.621 20 0 CAADLO Cc1ncn(C)c1C(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C[C@H]1O ZINC001090337345 776294575 /nfs/dbraw/zinc/29/45/75/776294575.db2.gz DUIXDAQVSSJYPU-NXEZZACHSA-N 1 2 295.343 -1.621 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cn[nH]c(=O)c2)[C@H](O)C1 ZINC001090340812 776294598 /nfs/dbraw/zinc/29/45/98/776294598.db2.gz DEGTVPOIJQQMFV-DTWKUNHWSA-N 1 2 295.299 -2.168 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)c2cn[nH]c(=O)c2)[C@H](O)C1 ZINC001090340812 776294605 /nfs/dbraw/zinc/29/46/05/776294605.db2.gz DEGTVPOIJQQMFV-DTWKUNHWSA-N 1 2 295.299 -2.168 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cn[nH]c(=O)c2)[C@H](O)C1 ZINC001090340814 776294667 /nfs/dbraw/zinc/29/46/67/776294667.db2.gz DEGTVPOIJQQMFV-RKDXNWHRSA-N 1 2 295.299 -2.168 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cn[nH]c(=O)c2)[C@H](O)C1 ZINC001090340814 776294674 /nfs/dbraw/zinc/29/46/74/776294674.db2.gz DEGTVPOIJQQMFV-RKDXNWHRSA-N 1 2 295.299 -2.168 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cnc[nH]c2=O)[C@@H](O)C1 ZINC001090349361 776296162 /nfs/dbraw/zinc/29/61/62/776296162.db2.gz LGPDTNYSLKZASX-BDAKNGLRSA-N 1 2 295.299 -2.168 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cnc[nH]c2=O)[C@@H](O)C1 ZINC001090349361 776296168 /nfs/dbraw/zinc/29/61/68/776296168.db2.gz LGPDTNYSLKZASX-BDAKNGLRSA-N 1 2 295.299 -2.168 20 0 CAADLO Cc1[nH]c(=O)[nH]c1C(=O)N[C@H]1CC[N@H+](CC(N)=O)C[C@@H]1O ZINC001090345070 776296193 /nfs/dbraw/zinc/29/61/93/776296193.db2.gz RDUJIEMWRDOLEN-YUMQZZPRSA-N 1 2 297.315 -1.926 20 0 CAADLO Cc1[nH]c(=O)[nH]c1C(=O)N[C@H]1CC[N@@H+](CC(N)=O)C[C@@H]1O ZINC001090345070 776296197 /nfs/dbraw/zinc/29/61/97/776296197.db2.gz RDUJIEMWRDOLEN-YUMQZZPRSA-N 1 2 297.315 -1.926 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)Cc2cncs2)[C@H](O)C1 ZINC001090341887 776296424 /nfs/dbraw/zinc/29/64/24/776296424.db2.gz LVIMQODEJVMFQD-VHSXEESVSA-N 1 2 298.368 -1.278 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)Cc2cncs2)[C@H](O)C1 ZINC001090341887 776296426 /nfs/dbraw/zinc/29/64/26/776296426.db2.gz LVIMQODEJVMFQD-VHSXEESVSA-N 1 2 298.368 -1.278 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cc2cncs2)[C@@H](O)C1 ZINC001090341889 776296493 /nfs/dbraw/zinc/29/64/93/776296493.db2.gz LVIMQODEJVMFQD-ZJUUUORDSA-N 1 2 298.368 -1.278 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)Cc2cncs2)[C@@H](O)C1 ZINC001090341889 776296499 /nfs/dbraw/zinc/29/64/99/776296499.db2.gz LVIMQODEJVMFQD-ZJUUUORDSA-N 1 2 298.368 -1.278 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ccsn2)[C@H](O)C1 ZINC001090353070 776297352 /nfs/dbraw/zinc/29/73/52/776297352.db2.gz WIHVEYHVCHNXJM-VXNVDRBHSA-N 1 2 284.341 -1.207 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)c2ccsn2)[C@H](O)C1 ZINC001090353070 776297359 /nfs/dbraw/zinc/29/73/59/776297359.db2.gz WIHVEYHVCHNXJM-VXNVDRBHSA-N 1 2 284.341 -1.207 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)c2ccsn2)[C@@H](O)C1 ZINC001090353068 776297250 /nfs/dbraw/zinc/29/72/50/776297250.db2.gz WIHVEYHVCHNXJM-CBAPKCEASA-N 1 2 284.341 -1.207 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)c2ccsn2)[C@@H](O)C1 ZINC001090353068 776297257 /nfs/dbraw/zinc/29/72/57/776297257.db2.gz WIHVEYHVCHNXJM-CBAPKCEASA-N 1 2 284.341 -1.207 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ccsn2)[C@@H](O)C1 ZINC001090353067 776297849 /nfs/dbraw/zinc/29/78/49/776297849.db2.gz WIHVEYHVCHNXJM-APPZFPTMSA-N 1 2 284.341 -1.207 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)c2ccsn2)[C@@H](O)C1 ZINC001090353067 776297851 /nfs/dbraw/zinc/29/78/51/776297851.db2.gz WIHVEYHVCHNXJM-APPZFPTMSA-N 1 2 284.341 -1.207 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)COCC2CC2)[C@@H](O)C1 ZINC001099701073 776303088 /nfs/dbraw/zinc/30/30/88/776303088.db2.gz APMINMVAIABVGC-NEPJUHHUSA-N 1 2 299.371 -1.290 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)COCC2CC2)[C@@H](O)C1 ZINC001099701073 776303095 /nfs/dbraw/zinc/30/30/95/776303095.db2.gz APMINMVAIABVGC-NEPJUHHUSA-N 1 2 299.371 -1.290 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)COCC2CC2)[C@H](O)C1 ZINC001099701074 776303666 /nfs/dbraw/zinc/30/36/66/776303666.db2.gz APMINMVAIABVGC-NWDGAFQWSA-N 1 2 299.371 -1.290 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)COCC2CC2)[C@H](O)C1 ZINC001099701074 776303673 /nfs/dbraw/zinc/30/36/73/776303673.db2.gz APMINMVAIABVGC-NWDGAFQWSA-N 1 2 299.371 -1.290 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)COCC2CC2)[C@H](O)C1 ZINC001099701076 776303735 /nfs/dbraw/zinc/30/37/35/776303735.db2.gz APMINMVAIABVGC-VXGBXAGGSA-N 1 2 299.371 -1.290 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)COCC2CC2)[C@H](O)C1 ZINC001099701076 776303741 /nfs/dbraw/zinc/30/37/41/776303741.db2.gz APMINMVAIABVGC-VXGBXAGGSA-N 1 2 299.371 -1.290 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2nccnc2N)C1 ZINC001079504987 776304882 /nfs/dbraw/zinc/30/48/82/776304882.db2.gz BQNYZCLIIPFJIE-HRDYMLBCSA-N 1 2 292.343 -1.017 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1C[C@@H](C)[C@H](NC(=O)c2nccnc2N)C1 ZINC001079504987 776304888 /nfs/dbraw/zinc/30/48/88/776304888.db2.gz BQNYZCLIIPFJIE-HRDYMLBCSA-N 1 2 292.343 -1.017 20 0 CAADLO C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1NC(=O)c1cnn(C)c1 ZINC001079403441 776305142 /nfs/dbraw/zinc/30/51/42/776305142.db2.gz FWUVMULCNRKNJB-PSASIEDQSA-N 1 2 265.317 -1.045 20 0 CAADLO C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1NC(=O)c1cnn(C)c1 ZINC001079403441 776305152 /nfs/dbraw/zinc/30/51/52/776305152.db2.gz FWUVMULCNRKNJB-PSASIEDQSA-N 1 2 265.317 -1.045 20 0 CAADLO C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1NC(=O)c1ccn[nH]1 ZINC001079443019 776306188 /nfs/dbraw/zinc/30/61/88/776306188.db2.gz MFAHPZKZFCYGEL-VXNVDRBHSA-N 1 2 251.290 -1.055 20 0 CAADLO C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1NC(=O)c1ccn[nH]1 ZINC001079443019 776306194 /nfs/dbraw/zinc/30/61/94/776306194.db2.gz MFAHPZKZFCYGEL-VXNVDRBHSA-N 1 2 251.290 -1.055 20 0 CAADLO CCN(C(=O)CC(N)=O)C1CN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001079532014 776307234 /nfs/dbraw/zinc/30/72/34/776307234.db2.gz KIHDNWPWYCHOPM-UHFFFAOYSA-N 1 2 293.327 -1.113 20 0 CAADLO CNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2nnn(C)c2C)C1 ZINC001079520268 776307587 /nfs/dbraw/zinc/30/75/87/776307587.db2.gz YZSSRTGHBQZVIT-PSASIEDQSA-N 1 2 294.359 -1.080 20 0 CAADLO CNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2nnn(C)c2C)C1 ZINC001079520268 776307599 /nfs/dbraw/zinc/30/75/99/776307599.db2.gz YZSSRTGHBQZVIT-PSASIEDQSA-N 1 2 294.359 -1.080 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ncn(C)n2)C1 ZINC001079658246 776309012 /nfs/dbraw/zinc/30/90/12/776309012.db2.gz RECJONPMAKLLAQ-IWSPIJDZSA-N 1 2 280.332 -1.261 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ncn(C)n2)C1 ZINC001079658246 776309021 /nfs/dbraw/zinc/30/90/21/776309021.db2.gz RECJONPMAKLLAQ-IWSPIJDZSA-N 1 2 280.332 -1.261 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ncn(C)n2)C1 ZINC001079658245 776309501 /nfs/dbraw/zinc/30/95/01/776309501.db2.gz RECJONPMAKLLAQ-HRDYMLBCSA-N 1 2 280.332 -1.261 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ncn(C)n2)C1 ZINC001079658245 776309506 /nfs/dbraw/zinc/30/95/06/776309506.db2.gz RECJONPMAKLLAQ-HRDYMLBCSA-N 1 2 280.332 -1.261 20 0 CAADLO C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1NC(=O)c1cc(=O)n(C)o1 ZINC001079630732 776310271 /nfs/dbraw/zinc/31/02/71/776310271.db2.gz KVYKJBOXUARRNP-HTQZYQBOSA-N 1 2 282.300 -1.486 20 0 CAADLO C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1NC(=O)c1cc(=O)n(C)o1 ZINC001079630732 776310280 /nfs/dbraw/zinc/31/02/80/776310280.db2.gz KVYKJBOXUARRNP-HTQZYQBOSA-N 1 2 282.300 -1.486 20 0 CAADLO C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1NC(=O)c1ncn(C)n1 ZINC001079660843 776311893 /nfs/dbraw/zinc/31/18/93/776311893.db2.gz DQGCFQWPWMYQDB-HTQZYQBOSA-N 1 2 266.305 -1.650 20 0 CAADLO C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1NC(=O)c1ncn(C)n1 ZINC001079660843 776311900 /nfs/dbraw/zinc/31/19/00/776311900.db2.gz DQGCFQWPWMYQDB-HTQZYQBOSA-N 1 2 266.305 -1.650 20 0 CAADLO C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1NC(=O)c1ncc[nH]1 ZINC001079671867 776312974 /nfs/dbraw/zinc/31/29/74/776312974.db2.gz ITAQMJPUURBLNS-HTQZYQBOSA-N 1 2 251.290 -1.055 20 0 CAADLO C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1NC(=O)c1ncc[nH]1 ZINC001079671867 776312984 /nfs/dbraw/zinc/31/29/84/776312984.db2.gz ITAQMJPUURBLNS-HTQZYQBOSA-N 1 2 251.290 -1.055 20 0 CAADLO COCCCC(=O)N[C@H]1CC[N@H+](CC(N)=O)C[C@H]1O ZINC001099706460 776315556 /nfs/dbraw/zinc/31/55/56/776315556.db2.gz BRORMBVAALCHKR-VHSXEESVSA-N 1 2 273.333 -1.550 20 0 CAADLO COCCCC(=O)N[C@H]1CC[N@@H+](CC(N)=O)C[C@H]1O ZINC001099706460 776315560 /nfs/dbraw/zinc/31/55/60/776315560.db2.gz BRORMBVAALCHKR-VHSXEESVSA-N 1 2 273.333 -1.550 20 0 CAADLO CCN(C(=O)CCc1c[nH]c[nH+]1)C1CN(C(=O)C(N)=O)C1 ZINC001079966502 776316908 /nfs/dbraw/zinc/31/69/08/776316908.db2.gz XVHVZTUIBCJNIH-UHFFFAOYSA-N 1 2 293.327 -1.113 20 0 CAADLO CCN(C(=O)CCc1c[nH+]c[nH]1)C1CN(C(=O)C(N)=O)C1 ZINC001079966502 776316924 /nfs/dbraw/zinc/31/69/24/776316924.db2.gz XVHVZTUIBCJNIH-UHFFFAOYSA-N 1 2 293.327 -1.113 20 0 CAADLO C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1NC(=O)[C@@]1(C)CCNC(=O)C1 ZINC001079953982 776317602 /nfs/dbraw/zinc/31/76/02/776317602.db2.gz OUZUMKUYWAJZGS-RULNRJAQSA-N 1 2 296.371 -1.176 20 0 CAADLO C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1NC(=O)[C@@]1(C)CCNC(=O)C1 ZINC001079953982 776317609 /nfs/dbraw/zinc/31/76/09/776317609.db2.gz OUZUMKUYWAJZGS-RULNRJAQSA-N 1 2 296.371 -1.176 20 0 CAADLO COCCCC(=O)N[C@@H]1CC[N@H+](CC(N)=O)C[C@H]1O ZINC001099706458 776317658 /nfs/dbraw/zinc/31/76/58/776317658.db2.gz BRORMBVAALCHKR-NXEZZACHSA-N 1 2 273.333 -1.550 20 0 CAADLO COCCCC(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C[C@H]1O ZINC001099706458 776317666 /nfs/dbraw/zinc/31/76/66/776317666.db2.gz BRORMBVAALCHKR-NXEZZACHSA-N 1 2 273.333 -1.550 20 0 CAADLO CCN(C(=O)Cc1c[nH+]cn1C)C1CN(C(=O)C(N)=O)C1 ZINC001080141270 776318275 /nfs/dbraw/zinc/31/82/75/776318275.db2.gz CATROMKKOJGXOV-UHFFFAOYSA-N 1 2 293.327 -1.493 20 0 CAADLO C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1NC(=O)c1cncn1C ZINC001080058099 776318529 /nfs/dbraw/zinc/31/85/29/776318529.db2.gz IZWDACDLVDQDII-RKDXNWHRSA-N 1 2 265.317 -1.045 20 0 CAADLO C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1NC(=O)c1cncn1C ZINC001080058099 776318540 /nfs/dbraw/zinc/31/85/40/776318540.db2.gz IZWDACDLVDQDII-RKDXNWHRSA-N 1 2 265.317 -1.045 20 0 CAADLO CNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2[nH]nnc2C)C1 ZINC001080246149 776318622 /nfs/dbraw/zinc/31/86/22/776318622.db2.gz VBWUUJOHJSKOMB-VXNVDRBHSA-N 1 2 280.332 -1.091 20 0 CAADLO CNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2[nH]nnc2C)C1 ZINC001080246149 776318628 /nfs/dbraw/zinc/31/86/28/776318628.db2.gz VBWUUJOHJSKOMB-VXNVDRBHSA-N 1 2 280.332 -1.091 20 0 CAADLO CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ccon2)[C@H](O)C1 ZINC001099708111 776318775 /nfs/dbraw/zinc/31/87/75/776318775.db2.gz YHQLKBSMCKIQFW-MWLCHTKSSA-N 1 2 296.327 -1.024 20 0 CAADLO CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2ccon2)[C@H](O)C1 ZINC001099708111 776318781 /nfs/dbraw/zinc/31/87/81/776318781.db2.gz YHQLKBSMCKIQFW-MWLCHTKSSA-N 1 2 296.327 -1.024 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2nnn(C)n2)C1 ZINC001080277163 776320737 /nfs/dbraw/zinc/32/07/37/776320737.db2.gz HZMQLTNMUSLSIX-BWZBUEFSSA-N 1 2 281.320 -1.866 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1C[C@@H](C)[C@H](NC(=O)c2nnn(C)n2)C1 ZINC001080277163 776320749 /nfs/dbraw/zinc/32/07/49/776320749.db2.gz HZMQLTNMUSLSIX-BWZBUEFSSA-N 1 2 281.320 -1.866 20 0 CAADLO C[C@@H]1C[N@H+](CC(=O)NC2CC2)C[C@H]1NC(=O)C(N)=O ZINC001080367460 776322820 /nfs/dbraw/zinc/32/28/20/776322820.db2.gz FIYCXTUHUJBCDD-VXNVDRBHSA-N 1 2 268.317 -1.813 20 0 CAADLO C[C@@H]1C[N@@H+](CC(=O)NC2CC2)C[C@H]1NC(=O)C(N)=O ZINC001080367460 776322828 /nfs/dbraw/zinc/32/28/28/776322828.db2.gz FIYCXTUHUJBCDD-VXNVDRBHSA-N 1 2 268.317 -1.813 20 0 CAADLO C[C@@H]1C[N@H+](CC(=O)NC2CCCC2)C[C@H]1NC(=O)C(N)=O ZINC001080367613 776323391 /nfs/dbraw/zinc/32/33/91/776323391.db2.gz MMXBEWAMQFFYAF-MWLCHTKSSA-N 1 2 296.371 -1.033 20 0 CAADLO C[C@@H]1C[N@@H+](CC(=O)NC2CCCC2)C[C@H]1NC(=O)C(N)=O ZINC001080367613 776323401 /nfs/dbraw/zinc/32/34/01/776323401.db2.gz MMXBEWAMQFFYAF-MWLCHTKSSA-N 1 2 296.371 -1.033 20 0 CAADLO CCn1nncc1C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(N)=O)C1 ZINC001080367680 776323697 /nfs/dbraw/zinc/32/36/97/776323697.db2.gz PLWSANAFJAZGBE-PSASIEDQSA-N 1 2 280.332 -1.280 20 0 CAADLO CCn1nncc1C[N@H+]1C[C@@H](C)[C@H](NC(=O)C(N)=O)C1 ZINC001080367680 776323703 /nfs/dbraw/zinc/32/37/03/776323703.db2.gz PLWSANAFJAZGBE-PSASIEDQSA-N 1 2 280.332 -1.280 20 0 CAADLO C[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@H]1NC(=O)C(N)=O ZINC001080367835 776323828 /nfs/dbraw/zinc/32/38/28/776323828.db2.gz XDUDBLGUBBRYIE-PRJMDXOYSA-N 1 2 254.290 -2.203 20 0 CAADLO C[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@H]1NC(=O)C(N)=O ZINC001080367835 776323835 /nfs/dbraw/zinc/32/38/35/776323835.db2.gz XDUDBLGUBBRYIE-PRJMDXOYSA-N 1 2 254.290 -2.203 20 0 CAADLO CCN(C(=O)C(N)=O)C1CN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001080401896 776327552 /nfs/dbraw/zinc/32/75/52/776327552.db2.gz VZJGRAMHYMIRLO-UHFFFAOYSA-N 1 2 293.327 -1.493 20 0 CAADLO CCN(C(=O)C(N)=O)C1CN(C(=O)Cn2cc[nH+]c2)C1 ZINC001080408047 776329025 /nfs/dbraw/zinc/32/90/25/776329025.db2.gz ATMRDTWKJQCABK-UHFFFAOYSA-N 1 2 279.300 -1.572 20 0 CAADLO C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1NC(=O)[C@]1(C)CCNC1=O ZINC001080433473 776329918 /nfs/dbraw/zinc/32/99/18/776329918.db2.gz DWDXEQIAOIPQTF-JRKPZEMJSA-N 1 2 282.344 -1.566 20 0 CAADLO C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1NC(=O)[C@]1(C)CCNC1=O ZINC001080433473 776329927 /nfs/dbraw/zinc/32/99/27/776329927.db2.gz DWDXEQIAOIPQTF-JRKPZEMJSA-N 1 2 282.344 -1.566 20 0 CAADLO C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1NC(=O)c1cnn(C)n1 ZINC001080614236 776330877 /nfs/dbraw/zinc/33/08/77/776330877.db2.gz HLRYMFFDEUINOQ-VXNVDRBHSA-N 1 2 266.305 -1.650 20 0 CAADLO C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1NC(=O)c1cnn(C)n1 ZINC001080614236 776330887 /nfs/dbraw/zinc/33/08/87/776330887.db2.gz HLRYMFFDEUINOQ-VXNVDRBHSA-N 1 2 266.305 -1.650 20 0 CAADLO CCCOCC(=O)N[C@H]1CC[N@H+](CC(=O)NC)C[C@@H]1O ZINC001099716205 776332456 /nfs/dbraw/zinc/33/24/56/776332456.db2.gz RMLAILLFSZNUKG-QWRGUYRKSA-N 1 2 287.360 -1.290 20 0 CAADLO CCCOCC(=O)N[C@H]1CC[N@@H+](CC(=O)NC)C[C@@H]1O ZINC001099716205 776332463 /nfs/dbraw/zinc/33/24/63/776332463.db2.gz RMLAILLFSZNUKG-QWRGUYRKSA-N 1 2 287.360 -1.290 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cc2nnc[nH]2)C1 ZINC001080752367 776334994 /nfs/dbraw/zinc/33/49/94/776334994.db2.gz PJCYXYRCJHHIDF-OPRDCNLKSA-N 1 2 294.359 -1.082 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)Cc2nnc[nH]2)C1 ZINC001080752367 776335002 /nfs/dbraw/zinc/33/50/02/776335002.db2.gz PJCYXYRCJHHIDF-OPRDCNLKSA-N 1 2 294.359 -1.082 20 0 CAADLO CNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cc2nnc[nH]2)C1 ZINC001080749593 776335516 /nfs/dbraw/zinc/33/55/16/776335516.db2.gz USEQMNDWJFHYNL-RKDXNWHRSA-N 1 2 280.332 -1.470 20 0 CAADLO CNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)Cc2nnc[nH]2)C1 ZINC001080749593 776335524 /nfs/dbraw/zinc/33/55/24/776335524.db2.gz USEQMNDWJFHYNL-RKDXNWHRSA-N 1 2 280.332 -1.470 20 0 CAADLO C[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@H]1NC(=O)Cc1nnc[nH]1 ZINC001080750718 776335664 /nfs/dbraw/zinc/33/56/64/776335664.db2.gz MGUTVFOCHRRPAI-OPRDCNLKSA-N 1 2 292.343 -1.328 20 0 CAADLO C[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@H]1NC(=O)Cc1nnc[nH]1 ZINC001080750718 776335670 /nfs/dbraw/zinc/33/56/70/776335670.db2.gz MGUTVFOCHRRPAI-OPRDCNLKSA-N 1 2 292.343 -1.328 20 0 CAADLO COCC(=O)NC[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1O ZINC001081166227 776349522 /nfs/dbraw/zinc/34/95/22/776349522.db2.gz HSYKLWJQZZUGIV-MNOVXSKESA-N 1 2 296.327 -1.535 20 0 CAADLO COCC(=O)NC[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1O ZINC001081190249 776352719 /nfs/dbraw/zinc/35/27/19/776352719.db2.gz YELIUEPSIQVPOK-KOLCDFICSA-N 1 2 296.327 -1.466 20 0 CAADLO COCC(=O)NC[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1O ZINC001081181878 776352812 /nfs/dbraw/zinc/35/28/12/776352812.db2.gz XUXODKIAXWUBQL-NXEZZACHSA-N 1 2 296.327 -1.466 20 0 CAADLO CNC(=O)C[N@@H+]1C[C@@H](NC(=O)C2CC2)[C@H](OC)C1 ZINC001081254836 776354451 /nfs/dbraw/zinc/35/44/51/776354451.db2.gz FZRAAGZNWBVQHO-NXEZZACHSA-N 1 2 255.318 -1.042 20 0 CAADLO CNC(=O)C[N@H+]1C[C@@H](NC(=O)C2CC2)[C@H](OC)C1 ZINC001081254836 776354460 /nfs/dbraw/zinc/35/44/60/776354460.db2.gz FZRAAGZNWBVQHO-NXEZZACHSA-N 1 2 255.318 -1.042 20 0 CAADLO CO[C@@H]1C[N@@H+]([C@@H](C)C(N)=O)C[C@H]1NC(=O)C1=COCCO1 ZINC001081317771 776358703 /nfs/dbraw/zinc/35/87/03/776358703.db2.gz ZTJCZOWOGZUAMK-IVZWLZJFSA-N 1 2 299.327 -1.436 20 0 CAADLO CO[C@@H]1C[N@H+]([C@@H](C)C(N)=O)C[C@H]1NC(=O)C1=COCCO1 ZINC001081317771 776358714 /nfs/dbraw/zinc/35/87/14/776358714.db2.gz ZTJCZOWOGZUAMK-IVZWLZJFSA-N 1 2 299.327 -1.436 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2ccn[nH]2)[C@H](OC)C1 ZINC001081387362 776366141 /nfs/dbraw/zinc/36/61/41/776366141.db2.gz ONFWVVQWRAGLCN-FBIMIBRVSA-N 1 2 295.343 -1.027 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)c2ccn[nH]2)[C@H](OC)C1 ZINC001081387362 776366151 /nfs/dbraw/zinc/36/61/51/776366151.db2.gz ONFWVVQWRAGLCN-FBIMIBRVSA-N 1 2 295.343 -1.027 20 0 CAADLO CO[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@H]1NC(=O)c1ccn[nH]1 ZINC001081384871 776366243 /nfs/dbraw/zinc/36/62/43/776366243.db2.gz HDYCSOPKCSMRMK-OUAUKWLOSA-N 1 2 293.327 -1.273 20 0 CAADLO CO[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@H]1NC(=O)c1ccn[nH]1 ZINC001081384871 776366255 /nfs/dbraw/zinc/36/62/55/776366255.db2.gz HDYCSOPKCSMRMK-OUAUKWLOSA-N 1 2 293.327 -1.273 20 0 CAADLO CNC(=O)C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCOC2)[C@H](OC)C1 ZINC001081418246 776367214 /nfs/dbraw/zinc/36/72/14/776367214.db2.gz MBZDEZXFJSKMDN-IJLUTSLNSA-N 1 2 299.371 -1.026 20 0 CAADLO CNC(=O)C[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCOC2)[C@H](OC)C1 ZINC001081418246 776367226 /nfs/dbraw/zinc/36/72/26/776367226.db2.gz MBZDEZXFJSKMDN-IJLUTSLNSA-N 1 2 299.371 -1.026 20 0 CAADLO CNC(=O)C[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCOC2)[C@H](OC)C1 ZINC001081418247 776367365 /nfs/dbraw/zinc/36/73/65/776367365.db2.gz MBZDEZXFJSKMDN-QJPTWQEYSA-N 1 2 299.371 -1.026 20 0 CAADLO CNC(=O)C[N@H+]1C[C@@H](NC(=O)[C@H]2CCCOC2)[C@H](OC)C1 ZINC001081418247 776367376 /nfs/dbraw/zinc/36/73/76/776367376.db2.gz MBZDEZXFJSKMDN-QJPTWQEYSA-N 1 2 299.371 -1.026 20 0 CAADLO CO[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]1NC(=O)[C@H]1CCOC1 ZINC001081420871 776367736 /nfs/dbraw/zinc/36/77/36/776367736.db2.gz IEIXGEQUVSGKOV-QJPTWQEYSA-N 1 2 299.371 -1.074 20 0 CAADLO CO[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1NC(=O)[C@H]1CCOC1 ZINC001081420871 776367745 /nfs/dbraw/zinc/36/77/45/776367745.db2.gz IEIXGEQUVSGKOV-QJPTWQEYSA-N 1 2 299.371 -1.074 20 0 CAADLO CNC(=O)C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCOC2)[C@H](OC)C1 ZINC001081420792 776368099 /nfs/dbraw/zinc/36/80/99/776368099.db2.gz GLMXTMPINMTTAF-GMTAPVOTSA-N 1 2 285.344 -1.416 20 0 CAADLO CNC(=O)C[N@H+]1C[C@@H](NC(=O)[C@@H]2CCOC2)[C@H](OC)C1 ZINC001081420792 776368108 /nfs/dbraw/zinc/36/81/08/776368108.db2.gz GLMXTMPINMTTAF-GMTAPVOTSA-N 1 2 285.344 -1.416 20 0 CAADLO CO[C@@H]1C[N@H+](CCF)C[C@H]1NC(=O)CN1CN=NC1=O ZINC001081565647 776374396 /nfs/dbraw/zinc/37/43/96/776374396.db2.gz GXLADKRNRLVCBB-RKDXNWHRSA-N 1 2 287.295 -1.231 20 0 CAADLO CO[C@@H]1C[N@@H+](CCF)C[C@H]1NC(=O)CN1CN=NC1=O ZINC001081565647 776374406 /nfs/dbraw/zinc/37/44/06/776374406.db2.gz GXLADKRNRLVCBB-RKDXNWHRSA-N 1 2 287.295 -1.231 20 0 CAADLO NC(=O)C(=O)N1C[C@@H](O)[C@@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001081580958 776376013 /nfs/dbraw/zinc/37/60/13/776376013.db2.gz VFVWVGSLWXKXNM-DTWKUNHWSA-N 1 2 295.299 -2.696 20 0 CAADLO COCC(=O)N1C[C@H](O)[C@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001081578149 776376259 /nfs/dbraw/zinc/37/62/59/776376259.db2.gz XOZCIBQCOIKTAA-MNOVXSKESA-N 1 2 296.327 -1.535 20 0 CAADLO CC(=O)N1C[C@H](O)[C@@H](CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001081617252 776376840 /nfs/dbraw/zinc/37/68/40/776376840.db2.gz BGPVTFBNAHNDCP-JQWIXIFHSA-N 1 2 280.328 -1.082 20 0 CAADLO CC(=O)N1C[C@@H](CNC(=O)Cc2c[nH+]cn2C)[C@H](O)C1 ZINC001081617254 776376933 /nfs/dbraw/zinc/37/69/33/776376933.db2.gz BGPVTFBNAHNDCP-ZYHUDNBSSA-N 1 2 280.328 -1.082 20 0 CAADLO COCC(=O)N1C[C@@H](CNC(=O)Cc2[nH]cc[nH+]2)[C@H](O)C1 ZINC001081693406 776380797 /nfs/dbraw/zinc/38/07/97/776380797.db2.gz RPSARFBFKJPFRT-NXEZZACHSA-N 1 2 296.327 -1.466 20 0 CAADLO CC(=O)N1C[C@@H](CNC(=O)Cc2[nH]cc[nH+]2)[C@H](O)C1 ZINC001081691985 776381945 /nfs/dbraw/zinc/38/19/45/776381945.db2.gz AKFCZHAENQCYJB-NXEZZACHSA-N 1 2 266.301 -1.092 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2ncc[nH]2)[C@H](OC)C1 ZINC001081643872 776382680 /nfs/dbraw/zinc/38/26/80/776382680.db2.gz BSSPDCMKSXCAIH-IVZWLZJFSA-N 1 2 295.343 -1.027 20 0 CAADLO CNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)c2ncc[nH]2)[C@H](OC)C1 ZINC001081643872 776382687 /nfs/dbraw/zinc/38/26/87/776382687.db2.gz BSSPDCMKSXCAIH-IVZWLZJFSA-N 1 2 295.343 -1.027 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2ncc[nH]2)[C@H](OC)C1 ZINC001081643873 776382969 /nfs/dbraw/zinc/38/29/69/776382969.db2.gz BSSPDCMKSXCAIH-OPRDCNLKSA-N 1 2 295.343 -1.027 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)c2ncc[nH]2)[C@H](OC)C1 ZINC001081643873 776382982 /nfs/dbraw/zinc/38/29/82/776382982.db2.gz BSSPDCMKSXCAIH-OPRDCNLKSA-N 1 2 295.343 -1.027 20 0 CAADLO NC(=O)C(=O)NC[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1O ZINC001081714213 776387694 /nfs/dbraw/zinc/38/76/94/776387694.db2.gz UVBJLMKMRBAKDM-JGVFFNPUSA-N 1 2 295.299 -2.627 20 0 CAADLO CC[N@@H+]1C[C@@H](NC(=O)C2CS(=O)(=O)C2)[C@H](OC)C1 ZINC001081728699 776392262 /nfs/dbraw/zinc/39/22/62/776392262.db2.gz YSAFWXPXUHEZAR-NXEZZACHSA-N 1 2 276.358 -1.134 20 0 CAADLO CC[N@H+]1C[C@@H](NC(=O)C2CS(=O)(=O)C2)[C@H](OC)C1 ZINC001081728699 776392271 /nfs/dbraw/zinc/39/22/71/776392271.db2.gz YSAFWXPXUHEZAR-NXEZZACHSA-N 1 2 276.358 -1.134 20 0 CAADLO NC(=O)C(=O)N1C[C@@H](CNC(=O)Cc2[nH]cc[nH+]2)[C@H](O)C1 ZINC001081694747 776392994 /nfs/dbraw/zinc/39/29/94/776392994.db2.gz ANVCLQDHUPMSAL-HTQZYQBOSA-N 1 2 295.299 -2.627 20 0 CAADLO COCC(=O)N1C[C@H](O)[C@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001081797062 776394205 /nfs/dbraw/zinc/39/42/05/776394205.db2.gz GVHJLBAOQHPATM-KOLCDFICSA-N 1 2 296.327 -1.466 20 0 CAADLO COCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001081797061 776394773 /nfs/dbraw/zinc/39/47/73/776394773.db2.gz GVHJLBAOQHPATM-GXSJLCMTSA-N 1 2 296.327 -1.466 20 0 CAADLO COCC(=O)N1C[C@@H](CNC(=O)Cc2c[nH]c[nH+]2)[C@H](O)C1 ZINC001081797063 776394969 /nfs/dbraw/zinc/39/49/69/776394969.db2.gz GVHJLBAOQHPATM-MWLCHTKSSA-N 1 2 296.327 -1.466 20 0 CAADLO CC(=O)N1C[C@@H](CNC(=O)Cc2c[nH]c[nH+]2)[C@H](O)C1 ZINC001081800979 776396567 /nfs/dbraw/zinc/39/65/67/776396567.db2.gz XJVVZZCOJOADJF-MWLCHTKSSA-N 1 2 266.301 -1.092 20 0 CAADLO CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001081800975 776396794 /nfs/dbraw/zinc/39/67/94/776396794.db2.gz XJVVZZCOJOADJF-GXSJLCMTSA-N 1 2 266.301 -1.092 20 0 CAADLO NC(=O)C(=O)N1C[C@@H](O)[C@@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001081800291 776396994 /nfs/dbraw/zinc/39/69/94/776396994.db2.gz LUUUGHFJHJCZHK-IONNQARKSA-N 1 2 295.299 -2.627 20 0 CAADLO CC(=O)N1C[C@H](O)[C@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001081800977 776397518 /nfs/dbraw/zinc/39/75/18/776397518.db2.gz XJVVZZCOJOADJF-KOLCDFICSA-N 1 2 266.301 -1.092 20 0 CAADLO NC(=O)C(=O)N1C[C@H](O)[C@@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001081800290 776398147 /nfs/dbraw/zinc/39/81/47/776398147.db2.gz LUUUGHFJHJCZHK-CBAPKCEASA-N 1 2 295.299 -2.627 20 0 CAADLO CO[C@@H]1C[N@H+](C[C@@H](C)O)C[C@H]1NC(=O)c1cn[nH]n1 ZINC001081888249 776400135 /nfs/dbraw/zinc/40/01/35/776400135.db2.gz PLTMQZQPGFKPCI-SZEHBUNVSA-N 1 2 269.305 -1.386 20 0 CAADLO CO[C@@H]1C[N@@H+](C[C@@H](C)O)C[C@H]1NC(=O)c1cn[nH]n1 ZINC001081888249 776400137 /nfs/dbraw/zinc/40/01/37/776400137.db2.gz PLTMQZQPGFKPCI-SZEHBUNVSA-N 1 2 269.305 -1.386 20 0 CAADLO CO[C@@H]1C[N@H+](C[C@@H](C)O)C[C@H]1NC(=O)c1cnn[nH]1 ZINC001081888249 776400140 /nfs/dbraw/zinc/40/01/40/776400140.db2.gz PLTMQZQPGFKPCI-SZEHBUNVSA-N 1 2 269.305 -1.386 20 0 CAADLO CO[C@@H]1C[N@@H+](C[C@@H](C)O)C[C@H]1NC(=O)c1cnn[nH]1 ZINC001081888249 776400143 /nfs/dbraw/zinc/40/01/43/776400143.db2.gz PLTMQZQPGFKPCI-SZEHBUNVSA-N 1 2 269.305 -1.386 20 0 CAADLO CO[C@@H]1C[N@@H+]([C@H](C)C(N)=O)C[C@H]1NC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001082038631 776401352 /nfs/dbraw/zinc/40/13/52/776401352.db2.gz PPLGBFIGKHMEOT-RFHDDPBLSA-N 1 2 297.355 -1.432 20 0 CAADLO CO[C@@H]1C[N@H+]([C@H](C)C(N)=O)C[C@H]1NC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001082038631 776401355 /nfs/dbraw/zinc/40/13/55/776401355.db2.gz PPLGBFIGKHMEOT-RFHDDPBLSA-N 1 2 297.355 -1.432 20 0 CAADLO CO[C@@H]1C[N@H+](CCF)C[C@H]1NC(=O)[C@@H]1CCNC1=O ZINC001082023454 776401737 /nfs/dbraw/zinc/40/17/37/776401737.db2.gz LBAKOYZXVYXGCY-OPRDCNLKSA-N 1 2 273.308 -1.093 20 0 CAADLO CO[C@@H]1C[N@@H+](CCF)C[C@H]1NC(=O)[C@@H]1CCNC1=O ZINC001082023454 776401741 /nfs/dbraw/zinc/40/17/41/776401741.db2.gz LBAKOYZXVYXGCY-OPRDCNLKSA-N 1 2 273.308 -1.093 20 0 CAADLO CCCOCC(=O)N[C@@H]1CC[N@H+](CC(N)=O)C[C@@H]1O ZINC001099731874 776403262 /nfs/dbraw/zinc/40/32/62/776403262.db2.gz FIPZOLOBAPWDCD-ZJUUUORDSA-N 1 2 273.333 -1.550 20 0 CAADLO CCCOCC(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C[C@@H]1O ZINC001099731874 776403263 /nfs/dbraw/zinc/40/32/63/776403263.db2.gz FIPZOLOBAPWDCD-ZJUUUORDSA-N 1 2 273.333 -1.550 20 0 CAADLO CO[C@@H]1C[N@H+](CCF)C[C@H]1NC(=O)[C@@H]1CNC(=O)N1 ZINC001082083474 776404195 /nfs/dbraw/zinc/40/41/95/776404195.db2.gz LXOCNLKOUIAUCM-DJLDLDEBSA-N 1 2 274.296 -1.547 20 0 CAADLO CO[C@@H]1C[N@@H+](CCF)C[C@H]1NC(=O)[C@@H]1CNC(=O)N1 ZINC001082083474 776404202 /nfs/dbraw/zinc/40/42/02/776404202.db2.gz LXOCNLKOUIAUCM-DJLDLDEBSA-N 1 2 274.296 -1.547 20 0 CAADLO CO[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1NC(=O)C(N)=O ZINC001082087860 776406054 /nfs/dbraw/zinc/40/60/54/776406054.db2.gz NBFINSVJKZITKO-RKDXNWHRSA-N 1 2 299.331 -2.688 20 0 CAADLO CO[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1NC(=O)C(N)=O ZINC001082087860 776406057 /nfs/dbraw/zinc/40/60/57/776406057.db2.gz NBFINSVJKZITKO-RKDXNWHRSA-N 1 2 299.331 -2.688 20 0 CAADLO CO[C@@H]1C[N@@H+]([C@@H](C)C(N)=O)C[C@H]1NC(=O)Cc1ncc[nH]1 ZINC001082270636 776409590 /nfs/dbraw/zinc/40/95/90/776409590.db2.gz QBSIDSKHRVQZTJ-IVZWLZJFSA-N 1 2 295.343 -1.359 20 0 CAADLO CO[C@@H]1C[N@H+]([C@@H](C)C(N)=O)C[C@H]1NC(=O)Cc1ncc[nH]1 ZINC001082270636 776409595 /nfs/dbraw/zinc/40/95/95/776409595.db2.gz QBSIDSKHRVQZTJ-IVZWLZJFSA-N 1 2 295.343 -1.359 20 0 CAADLO CO[C@@H]1C[N@H+](C[C@H](C)O)C[C@H]1NC(=O)c1ncn[nH]1 ZINC001082248797 776410006 /nfs/dbraw/zinc/41/00/06/776410006.db2.gz DBLRSRAOIAMXIU-DJLDLDEBSA-N 1 2 269.305 -1.386 20 0 CAADLO CO[C@@H]1C[N@@H+](C[C@H](C)O)C[C@H]1NC(=O)c1ncn[nH]1 ZINC001082248797 776410009 /nfs/dbraw/zinc/41/00/09/776410009.db2.gz DBLRSRAOIAMXIU-DJLDLDEBSA-N 1 2 269.305 -1.386 20 0 CAADLO CO[C@@H]1C[N@H+](C[C@H](C)O)C[C@H]1NC(=O)c1nc[nH]n1 ZINC001082248797 776410012 /nfs/dbraw/zinc/41/00/12/776410012.db2.gz DBLRSRAOIAMXIU-DJLDLDEBSA-N 1 2 269.305 -1.386 20 0 CAADLO CO[C@@H]1C[N@@H+](C[C@H](C)O)C[C@H]1NC(=O)c1nc[nH]n1 ZINC001082248797 776410015 /nfs/dbraw/zinc/41/00/15/776410015.db2.gz DBLRSRAOIAMXIU-DJLDLDEBSA-N 1 2 269.305 -1.386 20 0 CAADLO CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cocn2)[C@H](O)C1 ZINC001099738952 776410594 /nfs/dbraw/zinc/41/05/94/776410594.db2.gz VASDIZIOKGTPDL-MWLCHTKSSA-N 1 2 296.327 -1.024 20 0 CAADLO CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cocn2)[C@H](O)C1 ZINC001099738952 776410598 /nfs/dbraw/zinc/41/05/98/776410598.db2.gz VASDIZIOKGTPDL-MWLCHTKSSA-N 1 2 296.327 -1.024 20 0 CAADLO CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cocn2)[C@@H](O)C1 ZINC001099738953 776411635 /nfs/dbraw/zinc/41/16/35/776411635.db2.gz VASDIZIOKGTPDL-ONGXEEELSA-N 1 2 296.327 -1.024 20 0 CAADLO CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cocn2)[C@@H](O)C1 ZINC001099738953 776411639 /nfs/dbraw/zinc/41/16/39/776411639.db2.gz VASDIZIOKGTPDL-ONGXEEELSA-N 1 2 296.327 -1.024 20 0 CAADLO CO[C@@H]1C[N@@H+]([C@H](C)C(N)=O)C[C@H]1NC(=O)Cn1cncn1 ZINC001082358639 776412121 /nfs/dbraw/zinc/41/21/21/776412121.db2.gz KJPNSGPDPCSHMW-OPRDCNLKSA-N 1 2 296.331 -2.033 20 0 CAADLO CO[C@@H]1C[N@H+]([C@H](C)C(N)=O)C[C@H]1NC(=O)Cn1cncn1 ZINC001082358639 776412126 /nfs/dbraw/zinc/41/21/26/776412126.db2.gz KJPNSGPDPCSHMW-OPRDCNLKSA-N 1 2 296.331 -2.033 20 0 CAADLO CO[C@@H]1CN([C@H](C)C(N)=O)C[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001082394967 776413773 /nfs/dbraw/zinc/41/37/73/776413773.db2.gz OYEZHDQPUZNDNY-GMTAPVOTSA-N 1 2 295.343 -1.428 20 0 CAADLO CO[C@@H]1CN(CC(N)=O)C[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001082395043 776414045 /nfs/dbraw/zinc/41/40/45/776414045.db2.gz SCXJIDKWIDZIHY-NXEZZACHSA-N 1 2 281.316 -1.816 20 0 CAADLO CNC(=O)CN1C[C@@H](NC(=O)Cn2cc[nH+]c2)[C@H](OC)C1 ZINC001082394787 776414555 /nfs/dbraw/zinc/41/45/55/776414555.db2.gz GBXQSUDEDJSFMU-GHMZBOCLSA-N 1 2 295.343 -1.556 20 0 CAADLO CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CC(N)=O)[C@@H](O)C1 ZINC001099758056 776420100 /nfs/dbraw/zinc/42/01/00/776420100.db2.gz NTFIZDNTOZWQPM-IUCAKERBSA-N 1 2 286.332 -2.451 20 0 CAADLO NC(=O)CC(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C[C@@H]1O ZINC001099758425 776419900 /nfs/dbraw/zinc/41/99/00/776419900.db2.gz SNPPTVPANSRJJA-RQJHMYQMSA-N 1 2 258.278 -3.102 20 0 CAADLO NC(=O)CC(=O)N[C@@H]1CC[N@H+](CC(N)=O)C[C@@H]1O ZINC001099758425 776419906 /nfs/dbraw/zinc/41/99/06/776419906.db2.gz SNPPTVPANSRJJA-RQJHMYQMSA-N 1 2 258.278 -3.102 20 0 CAADLO CCNC(=O)C[N@H+]1CC[C@H](NC(=O)CC(N)=O)[C@@H](O)C1 ZINC001099758056 776420107 /nfs/dbraw/zinc/42/01/07/776420107.db2.gz NTFIZDNTOZWQPM-IUCAKERBSA-N 1 2 286.332 -2.451 20 0 CAADLO C[C@@H]1CN(C(=O)Cc2ncn[nH]2)C[C@H]1[NH2+][C@@H]1CCNC1=O ZINC001082851040 776423408 /nfs/dbraw/zinc/42/34/08/776423408.db2.gz KKYCLJXMHWTJHD-OPRDCNLKSA-N 1 2 292.343 -1.328 20 0 CAADLO CCc1n[nH]cc1C(=O)N[C@@H]1CC[N@H+](CC(N)=O)C[C@@H]1O ZINC001090386386 776424040 /nfs/dbraw/zinc/42/40/40/776424040.db2.gz VXYCFXQRJISVPW-MNOVXSKESA-N 1 2 295.343 -1.378 20 0 CAADLO CCc1n[nH]cc1C(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C[C@@H]1O ZINC001090386386 776424046 /nfs/dbraw/zinc/42/40/46/776424046.db2.gz VXYCFXQRJISVPW-MNOVXSKESA-N 1 2 295.343 -1.378 20 0 CAADLO CS(=O)(=O)CCCNC(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC001119139934 776425243 /nfs/dbraw/zinc/42/52/43/776425243.db2.gz OQABDRAIOHUWNU-SNVBAGLBSA-N 1 2 293.389 -1.213 20 0 CAADLO CS(=O)(=O)CCCNC(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC001119139934 776425245 /nfs/dbraw/zinc/42/52/45/776425245.db2.gz OQABDRAIOHUWNU-SNVBAGLBSA-N 1 2 293.389 -1.213 20 0 CAADLO O=C(N[C@H]1CC[N@@H+](CCF)C[C@@H]1O)c1cn[nH]n1 ZINC001090389281 776427367 /nfs/dbraw/zinc/42/73/67/776427367.db2.gz WDLVIPNUQMKNFC-CBAPKCEASA-N 1 2 257.269 -1.061 20 0 CAADLO O=C(N[C@H]1CC[N@H+](CCF)C[C@@H]1O)c1cn[nH]n1 ZINC001090389281 776427371 /nfs/dbraw/zinc/42/73/71/776427371.db2.gz WDLVIPNUQMKNFC-CBAPKCEASA-N 1 2 257.269 -1.061 20 0 CAADLO Cn1nnnc1CC[N@@H+]1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC001119306279 776427719 /nfs/dbraw/zinc/42/77/19/776427719.db2.gz NNHCEFTVNWFMMQ-MRVPVSSYSA-N 1 2 279.304 -2.605 20 0 CAADLO Cn1nnnc1CC[N@H+]1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC001119306279 776427727 /nfs/dbraw/zinc/42/77/27/776427727.db2.gz NNHCEFTVNWFMMQ-MRVPVSSYSA-N 1 2 279.304 -2.605 20 0 CAADLO CC(=O)N1CCO[C@@H]2C[N@H+](CC(=O)N3CCOCC3)C[C@@H]21 ZINC001082970743 776428457 /nfs/dbraw/zinc/42/84/57/776428457.db2.gz BXBYTXUEJJQQGJ-QWHCGFSZSA-N 1 2 297.355 -1.223 20 0 CAADLO CC(=O)N1CCO[C@@H]2C[N@@H+](CC(=O)N3CCOCC3)C[C@@H]21 ZINC001082970743 776428461 /nfs/dbraw/zinc/42/84/61/776428461.db2.gz BXBYTXUEJJQQGJ-QWHCGFSZSA-N 1 2 297.355 -1.223 20 0 CAADLO CC[C@H](C(N)=O)[N@@H+]1C[C@H]2OCCN(C(=O)CC(N)=O)[C@H]2C1 ZINC001083029716 776428862 /nfs/dbraw/zinc/42/88/62/776428862.db2.gz BQQFOUUZBCYCMV-KXUCPTDWSA-N 1 2 298.343 -1.963 20 0 CAADLO CC[C@H](C(N)=O)[N@H+]1C[C@H]2OCCN(C(=O)CC(N)=O)[C@H]2C1 ZINC001083029716 776428870 /nfs/dbraw/zinc/42/88/70/776428870.db2.gz BQQFOUUZBCYCMV-KXUCPTDWSA-N 1 2 298.343 -1.963 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+]1C[C@H]2OCCN(C(=O)CC(N)=O)[C@H]2C1 ZINC001083030827 776429308 /nfs/dbraw/zinc/42/93/08/776429308.db2.gz FKXWRERZUOJFEY-LPEHRKFASA-N 1 2 298.343 -2.092 20 0 CAADLO CNC(=O)[C@H](C)[N@H+]1C[C@H]2OCCN(C(=O)CC(N)=O)[C@H]2C1 ZINC001083030827 776429313 /nfs/dbraw/zinc/42/93/13/776429313.db2.gz FKXWRERZUOJFEY-LPEHRKFASA-N 1 2 298.343 -2.092 20 0 CAADLO CNC(=O)CC(=O)N[C@H]1CC[N@@H+](CC(=O)NC)C[C@@H]1O ZINC001099791800 776434291 /nfs/dbraw/zinc/43/42/91/776434291.db2.gz KZXHAWQCRDSGAJ-IUCAKERBSA-N 1 2 286.332 -2.580 20 0 CAADLO CNC(=O)CC(=O)N[C@H]1CC[N@H+](CC(=O)NC)C[C@@H]1O ZINC001099791800 776434296 /nfs/dbraw/zinc/43/42/96/776434296.db2.gz KZXHAWQCRDSGAJ-IUCAKERBSA-N 1 2 286.332 -2.580 20 0 CAADLO CC(C)(C)C(=O)N[C@@H]1C[N@@H+]([C@H]2CCC(=O)NC2=O)C[C@@H]1O ZINC001083979451 776437529 /nfs/dbraw/zinc/43/75/29/776437529.db2.gz AFAUNAGCKNYIFJ-UTLUCORTSA-N 1 2 297.355 -1.001 20 0 CAADLO CC(C)(C)C(=O)N[C@@H]1C[N@H+]([C@H]2CCC(=O)NC2=O)C[C@@H]1O ZINC001083979451 776437534 /nfs/dbraw/zinc/43/75/34/776437534.db2.gz AFAUNAGCKNYIFJ-UTLUCORTSA-N 1 2 297.355 -1.001 20 0 CAADLO C[C@@H](C(N)=O)N1C[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@@H](O)C1 ZINC001083954234 776438027 /nfs/dbraw/zinc/43/80/27/776438027.db2.gz QPGXJJLCGVDPAM-GDPRMGEGSA-N 1 2 295.343 -2.002 20 0 CAADLO CC[C@@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)Cc2nc[nH]n2)[C@@H](O)C1 ZINC001083936748 776438423 /nfs/dbraw/zinc/43/84/23/776438423.db2.gz ZPQDYCJOOODESL-VGMNWLOBSA-N 1 2 296.331 -2.228 20 0 CAADLO CC[C@@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)Cc2nc[nH]n2)[C@@H](O)C1 ZINC001083936748 776438426 /nfs/dbraw/zinc/43/84/26/776438426.db2.gz ZPQDYCJOOODESL-VGMNWLOBSA-N 1 2 296.331 -2.228 20 0 CAADLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CN(CC(N)=O)C[C@@H]1O ZINC001083998634 776439519 /nfs/dbraw/zinc/43/95/19/776439519.db2.gz HCLSMDZYQJALCY-ZJUUUORDSA-N 1 2 281.316 -2.093 20 0 CAADLO O=C(Cn1cncn1)N[C@@H]1C[N@@H+](CCF)C[C@@H]1O ZINC001084033415 776440439 /nfs/dbraw/zinc/44/04/39/776440439.db2.gz SPGXKFHTBVVMOU-BDAKNGLRSA-N 1 2 257.269 -1.591 20 0 CAADLO O=C(Cn1cncn1)N[C@@H]1C[N@H+](CCF)C[C@@H]1O ZINC001084033415 776440445 /nfs/dbraw/zinc/44/04/45/776440445.db2.gz SPGXKFHTBVVMOU-BDAKNGLRSA-N 1 2 257.269 -1.591 20 0 CAADLO O=C(CN1C(=O)CCC1=O)N[C@@H]1C[N@@H+](CCF)C[C@@H]1O ZINC001084040594 776440607 /nfs/dbraw/zinc/44/06/07/776440607.db2.gz QFZIFZBVFFLPQC-BDAKNGLRSA-N 1 2 287.291 -1.734 20 0 CAADLO O=C(CN1C(=O)CCC1=O)N[C@@H]1C[N@H+](CCF)C[C@@H]1O ZINC001084040594 776440611 /nfs/dbraw/zinc/44/06/11/776440611.db2.gz QFZIFZBVFFLPQC-BDAKNGLRSA-N 1 2 287.291 -1.734 20 0 CAADLO O=C(Cn1cncn1)N[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@@H]1O ZINC001084032597 776440852 /nfs/dbraw/zinc/44/08/52/776440852.db2.gz RBPUHKAARGVHQB-UTLUCORTSA-N 1 2 294.315 -2.672 20 0 CAADLO O=C(Cn1cncn1)N[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@@H]1O ZINC001084032597 776440853 /nfs/dbraw/zinc/44/08/53/776440853.db2.gz RBPUHKAARGVHQB-UTLUCORTSA-N 1 2 294.315 -2.672 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)Cn2cncn2)[C@@H](O)C1 ZINC001084033383 776440994 /nfs/dbraw/zinc/44/09/94/776440994.db2.gz RRJRQXCWNOEMKY-YIZRAAEISA-N 1 2 282.304 -2.687 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)Cn2cncn2)[C@@H](O)C1 ZINC001084033383 776440999 /nfs/dbraw/zinc/44/09/99/776440999.db2.gz RRJRQXCWNOEMKY-YIZRAAEISA-N 1 2 282.304 -2.687 20 0 CAADLO CC[C@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)Cn2cncn2)[C@@H](O)C1 ZINC001084033932 776441316 /nfs/dbraw/zinc/44/13/16/776441316.db2.gz MSRQHHVWGXXSBQ-BBBLOLIVSA-N 1 2 296.331 -2.297 20 0 CAADLO CC[C@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)Cn2cncn2)[C@@H](O)C1 ZINC001084033932 776441321 /nfs/dbraw/zinc/44/13/21/776441321.db2.gz MSRQHHVWGXXSBQ-BBBLOLIVSA-N 1 2 296.331 -2.297 20 0 CAADLO CC(=O)N1CC[C@@H](C(=O)N[C@@H]2C[N@H+](CCF)C[C@@H]2O)C1 ZINC001084003813 776442283 /nfs/dbraw/zinc/44/22/83/776442283.db2.gz NKJRFWJJEVAFBA-UTUOFQBUSA-N 1 2 287.335 -1.014 20 0 CAADLO CC(=O)N1CC[C@@H](C(=O)N[C@@H]2C[N@@H+](CCF)C[C@@H]2O)C1 ZINC001084003813 776442286 /nfs/dbraw/zinc/44/22/86/776442286.db2.gz NKJRFWJJEVAFBA-UTUOFQBUSA-N 1 2 287.335 -1.014 20 0 CAADLO O=C(Cc1ccc[nH]1)N[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@@H]1O ZINC001084078610 776443590 /nfs/dbraw/zinc/44/35/90/776443590.db2.gz AGHWQZBRZIHIHG-UTUOFQBUSA-N 1 2 292.339 -1.393 20 0 CAADLO O=C(Cc1ccc[nH]1)N[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@@H]1O ZINC001084078610 776443593 /nfs/dbraw/zinc/44/35/93/776443593.db2.gz AGHWQZBRZIHIHG-UTUOFQBUSA-N 1 2 292.339 -1.393 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)Cc2ccc[nH]2)[C@@H](O)C1 ZINC001084078813 776443642 /nfs/dbraw/zinc/44/36/42/776443642.db2.gz JOQBPXRUJKVTJI-IEBDPFPHSA-N 1 2 280.328 -1.408 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)Cc2ccc[nH]2)[C@@H](O)C1 ZINC001084078813 776443644 /nfs/dbraw/zinc/44/36/44/776443644.db2.gz JOQBPXRUJKVTJI-IEBDPFPHSA-N 1 2 280.328 -1.408 20 0 CAADLO CC[C@@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)Cc2ccc[nH]2)[C@@H](O)C1 ZINC001084079403 776444094 /nfs/dbraw/zinc/44/40/94/776444094.db2.gz BIYAYRMJQYBJPP-WOPDTQHZSA-N 1 2 294.355 -1.018 20 0 CAADLO CC[C@@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)Cc2ccc[nH]2)[C@@H](O)C1 ZINC001084079403 776444099 /nfs/dbraw/zinc/44/40/99/776444099.db2.gz BIYAYRMJQYBJPP-WOPDTQHZSA-N 1 2 294.355 -1.018 20 0 CAADLO CC[C@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)Cc2ccc[nH]2)[C@@H](O)C1 ZINC001084079402 776444411 /nfs/dbraw/zinc/44/44/11/776444411.db2.gz BIYAYRMJQYBJPP-UTUOFQBUSA-N 1 2 294.355 -1.018 20 0 CAADLO CC[C@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)Cc2ccc[nH]2)[C@@H](O)C1 ZINC001084079402 776444419 /nfs/dbraw/zinc/44/44/19/776444419.db2.gz BIYAYRMJQYBJPP-UTUOFQBUSA-N 1 2 294.355 -1.018 20 0 CAADLO COCC[N@H+]1C[C@@H](NC(=O)CN2CCCC2)[C@@H](O)C1 ZINC001084057715 776445687 /nfs/dbraw/zinc/44/56/87/776445687.db2.gz YUIKAXKKYKQQBN-NEPJUHHUSA-N 1 2 271.361 -1.110 20 0 CAADLO COCC[N@@H+]1C[C@@H](NC(=O)CN2CCCC2)[C@@H](O)C1 ZINC001084057715 776445693 /nfs/dbraw/zinc/44/56/93/776445693.db2.gz YUIKAXKKYKQQBN-NEPJUHHUSA-N 1 2 271.361 -1.110 20 0 CAADLO COCCN1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC001084057715 776445697 /nfs/dbraw/zinc/44/56/97/776445697.db2.gz YUIKAXKKYKQQBN-NEPJUHHUSA-N 1 2 271.361 -1.110 20 0 CAADLO NC(=O)CN1C[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H](O)C1 ZINC001084115857 776446909 /nfs/dbraw/zinc/44/69/09/776446909.db2.gz NXRCREAYPHEWJU-BDAKNGLRSA-N 1 2 267.289 -2.470 20 0 CAADLO C[C@H](C(N)=O)N1C[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H](O)C1 ZINC001084115405 776447134 /nfs/dbraw/zinc/44/71/34/776447134.db2.gz OCVLWYFPUQYPSX-BBBLOLIVSA-N 1 2 281.316 -2.082 20 0 CAADLO C[C@@H](C(N)=O)N1C[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H](O)C1 ZINC001084115404 776447397 /nfs/dbraw/zinc/44/73/97/776447397.db2.gz OCVLWYFPUQYPSX-AEJSXWLSSA-N 1 2 281.316 -2.082 20 0 CAADLO CN1C[C@H](C(=O)N[C@@H]2C[N@H+](CCF)C[C@@H]2O)CCC1=O ZINC001084093762 776448273 /nfs/dbraw/zinc/44/82/73/776448273.db2.gz CPQVRCJLOYAORE-MXWKQRLJSA-N 1 2 287.335 -1.014 20 0 CAADLO CN1C[C@H](C(=O)N[C@@H]2C[N@@H+](CCF)C[C@@H]2O)CCC1=O ZINC001084093762 776448276 /nfs/dbraw/zinc/44/82/76/776448276.db2.gz CPQVRCJLOYAORE-MXWKQRLJSA-N 1 2 287.335 -1.014 20 0 CAADLO Cn1cc(C(=O)N[C@@H]2C[N@H+](CCF)C[C@@H]2O)n(C)c1=O ZINC001084097380 776448320 /nfs/dbraw/zinc/44/83/20/776448320.db2.gz RKUJPJOOSSKXFF-SCZZXKLOSA-N 1 2 286.307 -1.532 20 0 CAADLO Cn1cc(C(=O)N[C@@H]2C[N@@H+](CCF)C[C@@H]2O)n(C)c1=O ZINC001084097380 776448324 /nfs/dbraw/zinc/44/83/24/776448324.db2.gz RKUJPJOOSSKXFF-SCZZXKLOSA-N 1 2 286.307 -1.532 20 0 CAADLO NC(=O)c1csc(C(=O)N[C@@H]2C[N@H+](CCO)C[C@@H]2O)c1 ZINC001084093194 776448481 /nfs/dbraw/zinc/44/84/81/776448481.db2.gz IKCUYUYCEPLBBZ-BDAKNGLRSA-N 1 2 299.352 -1.386 20 0 CAADLO NC(=O)c1csc(C(=O)N[C@@H]2C[N@@H+](CCO)C[C@@H]2O)c1 ZINC001084093194 776448485 /nfs/dbraw/zinc/44/84/85/776448485.db2.gz IKCUYUYCEPLBBZ-BDAKNGLRSA-N 1 2 299.352 -1.386 20 0 CAADLO CC[C@@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)c2[nH]cnc2C)[C@@H](O)C1 ZINC001084125314 776449016 /nfs/dbraw/zinc/44/90/16/776449016.db2.gz AUEGELVDTSDGEL-UTLUCORTSA-N 1 2 295.343 -1.243 20 0 CAADLO CC[C@@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)c2[nH]cnc2C)[C@@H](O)C1 ZINC001084125314 776449019 /nfs/dbraw/zinc/44/90/19/776449019.db2.gz AUEGELVDTSDGEL-UTLUCORTSA-N 1 2 295.343 -1.243 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C3=COCCO3)[C@@H]2C1 ZINC001084169756 776450211 /nfs/dbraw/zinc/45/02/11/776450211.db2.gz ZJEFVPQWBATDQE-NXEZZACHSA-N 1 2 281.312 -1.107 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C3=COCCO3)[C@@H]2C1 ZINC001084169756 776450218 /nfs/dbraw/zinc/45/02/18/776450218.db2.gz ZJEFVPQWBATDQE-NXEZZACHSA-N 1 2 281.312 -1.107 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)Cn3cnnn3)[C@@H]2C1 ZINC001084177119 776450342 /nfs/dbraw/zinc/45/03/42/776450342.db2.gz VLHHPUOZKHYMFV-NXEZZACHSA-N 1 2 293.331 -2.048 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)Cn3cnnn3)[C@@H]2C1 ZINC001084177119 776450345 /nfs/dbraw/zinc/45/03/45/776450345.db2.gz VLHHPUOZKHYMFV-NXEZZACHSA-N 1 2 293.331 -2.048 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)Cn3cccn3)[C@@H]2C1 ZINC001084188564 776450352 /nfs/dbraw/zinc/45/03/52/776450352.db2.gz IBDZVRNIVLWEMG-GHMZBOCLSA-N 1 2 277.328 -1.099 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)Cn3cccn3)[C@@H]2C1 ZINC001084188564 776450356 /nfs/dbraw/zinc/45/03/56/776450356.db2.gz IBDZVRNIVLWEMG-GHMZBOCLSA-N 1 2 277.328 -1.099 20 0 CAADLO Cn1nncc1C[N@@H+]1CC[C@@H]2CN(C(=O)CC(N)=O)[C@@H]2C1 ZINC001084243863 776450370 /nfs/dbraw/zinc/45/03/70/776450370.db2.gz ZXKUCJBCPHUOSP-MWLCHTKSSA-N 1 2 292.343 -1.277 20 0 CAADLO Cn1nncc1C[N@H+]1CC[C@@H]2CN(C(=O)CC(N)=O)[C@@H]2C1 ZINC001084243863 776450374 /nfs/dbraw/zinc/45/03/74/776450374.db2.gz ZXKUCJBCPHUOSP-MWLCHTKSSA-N 1 2 292.343 -1.277 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc[n+]([O-])cc3)[C@@H]2C1 ZINC001084170430 776450557 /nfs/dbraw/zinc/45/05/57/776450557.db2.gz ZQUSMAAYFOVPPL-VXGBXAGGSA-N 1 2 290.323 -1.048 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)c3cc[n+]([O-])cc3)[C@@H]2C1 ZINC001084170430 776450560 /nfs/dbraw/zinc/45/05/60/776450560.db2.gz ZQUSMAAYFOVPPL-VXGBXAGGSA-N 1 2 290.323 -1.048 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)COC)[C@@H]2C1 ZINC001084136113 776450759 /nfs/dbraw/zinc/45/07/59/776450759.db2.gz TVODIFCTXCGTBY-NXEZZACHSA-N 1 2 255.318 -1.089 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)COC)[C@@H]2C1 ZINC001084136113 776450764 /nfs/dbraw/zinc/45/07/64/776450764.db2.gz TVODIFCTXCGTBY-NXEZZACHSA-N 1 2 255.318 -1.089 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)CO[C@H]3CCOC3)[C@@H]2C1 ZINC001084339850 776451647 /nfs/dbraw/zinc/45/16/47/776451647.db2.gz LFTBPGPQTBXYMX-GRYCIOLGSA-N 1 2 297.355 -1.190 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)CO[C@H]3CCOC3)[C@@H]2C1 ZINC001084339850 776451652 /nfs/dbraw/zinc/45/16/52/776451652.db2.gz LFTBPGPQTBXYMX-GRYCIOLGSA-N 1 2 297.355 -1.190 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C[C@H]3COC(=O)C3)[C@@H]2C1 ZINC001084279923 776451782 /nfs/dbraw/zinc/45/17/82/776451782.db2.gz WPBZPACMEUTOHD-GMTAPVOTSA-N 1 2 295.339 -1.042 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C[C@H]3COC(=O)C3)[C@@H]2C1 ZINC001084279923 776451784 /nfs/dbraw/zinc/45/17/84/776451784.db2.gz WPBZPACMEUTOHD-GMTAPVOTSA-N 1 2 295.339 -1.042 20 0 CAADLO C[C@H](O)C[N@@H+]1CC[C@@H]2CN(C(=O)CS(C)(=O)=O)[C@@H]2C1 ZINC001084219974 776451790 /nfs/dbraw/zinc/45/17/90/776451790.db2.gz ZWKYRJGZECZGSA-HBNTYKKESA-N 1 2 290.385 -1.056 20 0 CAADLO C[C@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)CS(C)(=O)=O)[C@@H]2C1 ZINC001084219974 776451792 /nfs/dbraw/zinc/45/17/92/776451792.db2.gz ZWKYRJGZECZGSA-HBNTYKKESA-N 1 2 290.385 -1.056 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)CN3CCOCC3)[C@@H]2C1 ZINC001084288231 776451833 /nfs/dbraw/zinc/45/18/33/776451833.db2.gz MEIGGWQXBQGMHM-VXGBXAGGSA-N 1 2 296.371 -1.663 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)CN3CCOCC3)[C@@H]2C1 ZINC001084288231 776451836 /nfs/dbraw/zinc/45/18/36/776451836.db2.gz MEIGGWQXBQGMHM-VXGBXAGGSA-N 1 2 296.371 -1.663 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3COC(=O)N3)[C@@H]2C1 ZINC001084318099 776452074 /nfs/dbraw/zinc/45/20/74/776452074.db2.gz JDVJAHDIPBECEQ-OPRDCNLKSA-N 1 2 296.327 -1.627 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3COC(=O)N3)[C@@H]2C1 ZINC001084318099 776452077 /nfs/dbraw/zinc/45/20/77/776452077.db2.gz JDVJAHDIPBECEQ-OPRDCNLKSA-N 1 2 296.327 -1.627 20 0 CAADLO C[C@@H](O)C[N@@H+]1CC[C@@H]2CN(C(=O)CS(C)(=O)=O)[C@@H]2C1 ZINC001084219973 776452097 /nfs/dbraw/zinc/45/20/97/776452097.db2.gz ZWKYRJGZECZGSA-GMTAPVOTSA-N 1 2 290.385 -1.056 20 0 CAADLO C[C@@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)CS(C)(=O)=O)[C@@H]2C1 ZINC001084219973 776452103 /nfs/dbraw/zinc/45/21/03/776452103.db2.gz ZWKYRJGZECZGSA-GMTAPVOTSA-N 1 2 290.385 -1.056 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)Cn3ncnn3)[C@@H]2C1 ZINC001084346693 776452157 /nfs/dbraw/zinc/45/21/57/776452157.db2.gz WNACRWPGQBEHAL-NXEZZACHSA-N 1 2 293.331 -2.048 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)Cn3ncnn3)[C@@H]2C1 ZINC001084346693 776452160 /nfs/dbraw/zinc/45/21/60/776452160.db2.gz WNACRWPGQBEHAL-NXEZZACHSA-N 1 2 293.331 -2.048 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3COC(=O)N3)[C@@H]2C1 ZINC001084318873 776452171 /nfs/dbraw/zinc/45/21/71/776452171.db2.gz GZQWUXRIHNMGDY-HRDYMLBCSA-N 1 2 282.300 -1.887 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3COC(=O)N3)[C@@H]2C1 ZINC001084318873 776452176 /nfs/dbraw/zinc/45/21/76/776452176.db2.gz GZQWUXRIHNMGDY-HRDYMLBCSA-N 1 2 282.300 -1.887 20 0 CAADLO C[C@H](C(=O)N1C[C@H]2CC[N@H+](CC(N)=O)C[C@H]21)n1cncn1 ZINC001084292123 776452349 /nfs/dbraw/zinc/45/23/49/776452349.db2.gz VQKVKUQJIRBBBX-GMTAPVOTSA-N 1 2 292.343 -1.143 20 0 CAADLO C[C@H](C(=O)N1C[C@H]2CC[N@@H+](CC(N)=O)C[C@H]21)n1cncn1 ZINC001084292123 776452353 /nfs/dbraw/zinc/45/23/53/776452353.db2.gz VQKVKUQJIRBBBX-GMTAPVOTSA-N 1 2 292.343 -1.143 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CC[C@@H]2CN(C(=O)c3cn(C)nn3)[C@@H]2C1 ZINC001084323402 776452481 /nfs/dbraw/zinc/45/24/81/776452481.db2.gz RGQHMAAVRAZURT-FXPVBKGRSA-N 1 2 292.343 -1.165 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CC[C@@H]2CN(C(=O)c3cn(C)nn3)[C@@H]2C1 ZINC001084323402 776452485 /nfs/dbraw/zinc/45/24/85/776452485.db2.gz RGQHMAAVRAZURT-FXPVBKGRSA-N 1 2 292.343 -1.165 20 0 CAADLO CC(=O)N1CC(C(=O)N2C[C@H]3CC[N@H+](CC(N)=O)C[C@H]32)C1 ZINC001084306805 776452634 /nfs/dbraw/zinc/45/26/34/776452634.db2.gz ICKSAWLOZOGIBL-ZYHUDNBSSA-N 1 2 294.355 -1.517 20 0 CAADLO CC(=O)N1CC(C(=O)N2C[C@H]3CC[N@@H+](CC(N)=O)C[C@H]32)C1 ZINC001084306805 776452636 /nfs/dbraw/zinc/45/26/36/776452636.db2.gz ICKSAWLOZOGIBL-ZYHUDNBSSA-N 1 2 294.355 -1.517 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)Cc3cc[nH]n3)[C@@H]2C1 ZINC001084248288 776452667 /nfs/dbraw/zinc/45/26/67/776452667.db2.gz JSLUOBPQISITGI-MWLCHTKSSA-N 1 2 277.328 -1.030 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)Cc3cc[nH]n3)[C@@H]2C1 ZINC001084248288 776452671 /nfs/dbraw/zinc/45/26/71/776452671.db2.gz JSLUOBPQISITGI-MWLCHTKSSA-N 1 2 277.328 -1.030 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC(=O)NC3)[C@@H]2C1 ZINC001084474146 776453301 /nfs/dbraw/zinc/45/33/01/776453301.db2.gz XYIOYPQIVQTLCX-HBNTYKKESA-N 1 2 294.355 -1.469 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC(=O)NC3)[C@@H]2C1 ZINC001084474146 776453306 /nfs/dbraw/zinc/45/33/06/776453306.db2.gz XYIOYPQIVQTLCX-HBNTYKKESA-N 1 2 294.355 -1.469 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC(=O)N3)[C@@H]2C1 ZINC001084434398 776453487 /nfs/dbraw/zinc/45/34/87/776453487.db2.gz FRLRAFDINUWMQP-GMTAPVOTSA-N 1 2 294.355 -1.327 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC(=O)N3)[C@@H]2C1 ZINC001084434398 776453491 /nfs/dbraw/zinc/45/34/91/776453491.db2.gz FRLRAFDINUWMQP-GMTAPVOTSA-N 1 2 294.355 -1.327 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)c3cnc[nH]c3=O)[C@@H]2C1 ZINC001084438129 776453698 /nfs/dbraw/zinc/45/36/98/776453698.db2.gz RWYJOBAQSCSVDA-PSASIEDQSA-N 1 2 291.311 -1.186 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)c3cnc[nH]c3=O)[C@@H]2C1 ZINC001084438129 776453702 /nfs/dbraw/zinc/45/37/02/776453702.db2.gz RWYJOBAQSCSVDA-PSASIEDQSA-N 1 2 291.311 -1.186 20 0 CAADLO O=C(c1cn[nH]n1)N1C[C@H]2CC[N@@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001084479369 776453710 /nfs/dbraw/zinc/45/37/10/776453710.db2.gz DXISRRXVCWNROU-FBIMIBRVSA-N 1 2 290.327 -1.161 20 0 CAADLO O=C(c1cn[nH]n1)N1C[C@H]2CC[N@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001084479369 776453714 /nfs/dbraw/zinc/45/37/14/776453714.db2.gz DXISRRXVCWNROU-FBIMIBRVSA-N 1 2 290.327 -1.161 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCNC3=O)[C@@H]2C1 ZINC001084427706 776453729 /nfs/dbraw/zinc/45/37/29/776453729.db2.gz QWCDBPNKVSIBML-OUAUKWLOSA-N 1 2 294.355 -1.469 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCNC3=O)[C@@H]2C1 ZINC001084427706 776453732 /nfs/dbraw/zinc/45/37/32/776453732.db2.gz QWCDBPNKVSIBML-OUAUKWLOSA-N 1 2 294.355 -1.469 20 0 CAADLO C[C@@H]1OCCO[C@@H]1C(=O)N1C[C@H]2CC[N@H+](CC(N)=O)C[C@H]21 ZINC001084419194 776453753 /nfs/dbraw/zinc/45/37/53/776453753.db2.gz CSJYOVLDZLOMGR-WGBDABJCSA-N 1 2 297.355 -1.192 20 0 CAADLO C[C@@H]1OCCO[C@@H]1C(=O)N1C[C@H]2CC[N@@H+](CC(N)=O)C[C@H]21 ZINC001084419194 776453755 /nfs/dbraw/zinc/45/37/55/776453755.db2.gz CSJYOVLDZLOMGR-WGBDABJCSA-N 1 2 297.355 -1.192 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)c3cn[nH]n3)[C@@H]2C1 ZINC001084477972 776453762 /nfs/dbraw/zinc/45/37/62/776453762.db2.gz BHWCMVIBRHXFNF-PSASIEDQSA-N 1 2 278.316 -1.303 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)c3cn[nH]n3)[C@@H]2C1 ZINC001084477972 776453765 /nfs/dbraw/zinc/45/37/65/776453765.db2.gz BHWCMVIBRHXFNF-PSASIEDQSA-N 1 2 278.316 -1.303 20 0 CAADLO O=C(C1CS(=O)(=O)C1)N1C[C@H]2CC[N@@H+](CCO)C[C@H]21 ZINC001084370191 776453851 /nfs/dbraw/zinc/45/38/51/776453851.db2.gz NMMLNIVUROKNJJ-MWLCHTKSSA-N 1 2 288.369 -1.444 20 0 CAADLO O=C(C1CS(=O)(=O)C1)N1C[C@H]2CC[N@H+](CCO)C[C@H]21 ZINC001084370191 776453852 /nfs/dbraw/zinc/45/38/52/776453852.db2.gz NMMLNIVUROKNJJ-MWLCHTKSSA-N 1 2 288.369 -1.444 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C[C@H]3CCNC3=O)[C@@H]2C1 ZINC001084402448 776454091 /nfs/dbraw/zinc/45/40/91/776454091.db2.gz NASBUQWBIRFGSX-GMTAPVOTSA-N 1 2 294.355 -1.469 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C[C@H]3CCNC3=O)[C@@H]2C1 ZINC001084402448 776454097 /nfs/dbraw/zinc/45/40/97/776454097.db2.gz NASBUQWBIRFGSX-GMTAPVOTSA-N 1 2 294.355 -1.469 20 0 CAADLO CN1C(=O)CC[C@@H]1C(=O)N1C[C@H]2CC[N@H+](CC(N)=O)C[C@H]21 ZINC001084601820 776455004 /nfs/dbraw/zinc/45/50/04/776455004.db2.gz WYMAPIWSKFJQJW-GMTAPVOTSA-N 1 2 294.355 -1.375 20 0 CAADLO CN1C(=O)CC[C@@H]1C(=O)N1C[C@H]2CC[N@@H+](CC(N)=O)C[C@H]21 ZINC001084601820 776455005 /nfs/dbraw/zinc/45/50/05/776455005.db2.gz WYMAPIWSKFJQJW-GMTAPVOTSA-N 1 2 294.355 -1.375 20 0 CAADLO COC1(CC(=O)N[C@H]2CC[N@H+](CC(N)=O)C[C@@H]2O)CCC1 ZINC001099807908 776455015 /nfs/dbraw/zinc/45/50/15/776455015.db2.gz XNGVRRUYSXHOGO-QWRGUYRKSA-N 1 2 299.371 -1.018 20 0 CAADLO COC1(CC(=O)N[C@H]2CC[N@@H+](CC(N)=O)C[C@@H]2O)CCC1 ZINC001099807908 776455016 /nfs/dbraw/zinc/45/50/16/776455016.db2.gz XNGVRRUYSXHOGO-QWRGUYRKSA-N 1 2 299.371 -1.018 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CC[C@@H]2CN(C(=O)c3nnn(C)n3)[C@@H]2C1 ZINC001084587650 776455034 /nfs/dbraw/zinc/45/50/34/776455034.db2.gz HVWQBYHPGFSATI-DJLDLDEBSA-N 1 2 293.331 -1.770 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CC[C@@H]2CN(C(=O)c3nnn(C)n3)[C@@H]2C1 ZINC001084587650 776455036 /nfs/dbraw/zinc/45/50/36/776455036.db2.gz HVWQBYHPGFSATI-DJLDLDEBSA-N 1 2 293.331 -1.770 20 0 CAADLO NC(=O)C(=O)N1C[C@H]2CC[N@H+](CC(=O)N3CCC3)C[C@H]21 ZINC001084621979 776455721 /nfs/dbraw/zinc/45/57/21/776455721.db2.gz GKTODFLJEKHVGA-NXEZZACHSA-N 1 2 280.328 -1.763 20 0 CAADLO NC(=O)C(=O)N1C[C@H]2CC[N@@H+](CC(=O)N3CCC3)C[C@H]21 ZINC001084621979 776455728 /nfs/dbraw/zinc/45/57/28/776455728.db2.gz GKTODFLJEKHVGA-NXEZZACHSA-N 1 2 280.328 -1.763 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCNC3=O)[C@@H]2C1 ZINC001084575905 776455789 /nfs/dbraw/zinc/45/57/89/776455789.db2.gz UMKICFLDDAIFKN-OPRDCNLKSA-N 1 2 280.328 -1.860 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCNC3=O)[C@@H]2C1 ZINC001084575905 776455796 /nfs/dbraw/zinc/45/57/96/776455796.db2.gz UMKICFLDDAIFKN-OPRDCNLKSA-N 1 2 280.328 -1.860 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CNC(=O)N3)[C@@H]2C1 ZINC001084620229 776455848 /nfs/dbraw/zinc/45/58/48/776455848.db2.gz DFKRPEBQHPCIDY-KXUCPTDWSA-N 1 2 295.343 -2.054 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CNC(=O)N3)[C@@H]2C1 ZINC001084620229 776455856 /nfs/dbraw/zinc/45/58/56/776455856.db2.gz DFKRPEBQHPCIDY-KXUCPTDWSA-N 1 2 295.343 -2.054 20 0 CAADLO Cn1nccc1C[N@@H+]1CC[C@@H]2CN(C(=O)C(N)=O)[C@@H]2C1 ZINC001084622212 776455884 /nfs/dbraw/zinc/45/58/84/776455884.db2.gz NGXMWGITCMVIRZ-MWLCHTKSSA-N 1 2 277.328 -1.062 20 0 CAADLO Cn1nccc1C[N@H+]1CC[C@@H]2CN(C(=O)C(N)=O)[C@@H]2C1 ZINC001084622212 776455892 /nfs/dbraw/zinc/45/58/92/776455892.db2.gz NGXMWGITCMVIRZ-MWLCHTKSSA-N 1 2 277.328 -1.062 20 0 CAADLO COC1(CC(=O)N[C@H]2CC[N@H+](CC(N)=O)C[C@H]2O)CCC1 ZINC001099807909 776456089 /nfs/dbraw/zinc/45/60/89/776456089.db2.gz XNGVRRUYSXHOGO-WDEREUQCSA-N 1 2 299.371 -1.018 20 0 CAADLO COC1(CC(=O)N[C@H]2CC[N@@H+](CC(N)=O)C[C@H]2O)CCC1 ZINC001099807909 776456097 /nfs/dbraw/zinc/45/60/97/776456097.db2.gz XNGVRRUYSXHOGO-WDEREUQCSA-N 1 2 299.371 -1.018 20 0 CAADLO C[C@]1(C(=O)N2C[C@H]3CC[N@H+](CC(N)=O)C[C@H]32)CNC(=O)C1 ZINC001084541597 776456191 /nfs/dbraw/zinc/45/61/91/776456191.db2.gz VFSGAYZCUNZZNV-GPCCPHFNSA-N 1 2 294.355 -1.469 20 0 CAADLO C[C@]1(C(=O)N2C[C@H]3CC[N@@H+](CC(N)=O)C[C@H]32)CNC(=O)C1 ZINC001084541597 776456193 /nfs/dbraw/zinc/45/61/93/776456193.db2.gz VFSGAYZCUNZZNV-GPCCPHFNSA-N 1 2 294.355 -1.469 20 0 CAADLO Cc1nnccc1C(=O)N[C@H]1CC[N@H+](CC(N)=O)C[C@@H]1O ZINC001090399643 776456518 /nfs/dbraw/zinc/45/65/18/776456518.db2.gz OOCZTURYYSZODQ-QWRGUYRKSA-N 1 2 293.327 -1.565 20 0 CAADLO Cc1nnccc1C(=O)N[C@H]1CC[N@@H+](CC(N)=O)C[C@@H]1O ZINC001090399643 776456523 /nfs/dbraw/zinc/45/65/23/776456523.db2.gz OOCZTURYYSZODQ-QWRGUYRKSA-N 1 2 293.327 -1.565 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)CC(C)(C)O)[C@H](O)C1 ZINC001099809656 776456888 /nfs/dbraw/zinc/45/68/88/776456888.db2.gz KWSQQJQKOJEXNI-VHSXEESVSA-N 1 2 287.360 -1.555 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)CC(C)(C)O)[C@H](O)C1 ZINC001099809656 776456895 /nfs/dbraw/zinc/45/68/95/776456895.db2.gz KWSQQJQKOJEXNI-VHSXEESVSA-N 1 2 287.360 -1.555 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CC[C@@H]2CN(C(=O)C(N)=O)[C@@H]2C1 ZINC001084624661 776457019 /nfs/dbraw/zinc/45/70/19/776457019.db2.gz ZGTDFUYTVRQPGV-BWZBUEFSSA-N 1 2 254.290 -2.122 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CC[C@@H]2CN(C(=O)C(N)=O)[C@@H]2C1 ZINC001084624661 776457027 /nfs/dbraw/zinc/45/70/27/776457027.db2.gz ZGTDFUYTVRQPGV-BWZBUEFSSA-N 1 2 254.290 -2.122 20 0 CAADLO CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CN(C(=O)C(N)=O)[C@@H]3C2)C1=O ZINC001084624388 776457164 /nfs/dbraw/zinc/45/71/64/776457164.db2.gz OZARYCGXJDVYDH-GMTAPVOTSA-N 1 2 294.355 -1.375 20 0 CAADLO CCN1CC[C@@H]([N@H+]2CC[C@@H]3CN(C(=O)C(N)=O)[C@@H]3C2)C1=O ZINC001084624388 776457171 /nfs/dbraw/zinc/45/71/71/776457171.db2.gz OZARYCGXJDVYDH-GMTAPVOTSA-N 1 2 294.355 -1.375 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[C@H]3C(N)=O)[C@@H]2C1 ZINC001084665449 776457400 /nfs/dbraw/zinc/45/74/00/776457400.db2.gz YYJGVVYDYXZSFE-DOLQZWNJSA-N 1 2 280.328 -1.874 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[C@H]3C(N)=O)[C@@H]2C1 ZINC001084665449 776457402 /nfs/dbraw/zinc/45/74/02/776457402.db2.gz YYJGVVYDYXZSFE-DOLQZWNJSA-N 1 2 280.328 -1.874 20 0 CAADLO NC(=O)C(=O)N1C[C@H]2CC[N@@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001084624355 776457508 /nfs/dbraw/zinc/45/75/08/776457508.db2.gz NOFQPFLKSJVHNZ-IWSPIJDZSA-N 1 2 294.311 -2.190 20 0 CAADLO NC(=O)C(=O)N1C[C@H]2CC[N@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001084624355 776457512 /nfs/dbraw/zinc/45/75/12/776457512.db2.gz NOFQPFLKSJVHNZ-IWSPIJDZSA-N 1 2 294.311 -2.190 20 0 CAADLO C[C@H](C(=O)NC1CC1)[N@@H+]1CC[C@@H]2CN(C(=O)C(N)=O)[C@@H]2C1 ZINC001084626424 776457575 /nfs/dbraw/zinc/45/75/75/776457575.db2.gz OXIWQNFBWVTFHV-FXPVBKGRSA-N 1 2 294.355 -1.329 20 0 CAADLO C[C@H](C(=O)NC1CC1)[N@H+]1CC[C@@H]2CN(C(=O)C(N)=O)[C@@H]2C1 ZINC001084626424 776457579 /nfs/dbraw/zinc/45/75/79/776457579.db2.gz OXIWQNFBWVTFHV-FXPVBKGRSA-N 1 2 294.355 -1.329 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CC(C)(C)O)[C@@H](O)C1 ZINC001099809657 776457773 /nfs/dbraw/zinc/45/77/73/776457773.db2.gz KWSQQJQKOJEXNI-ZJUUUORDSA-N 1 2 287.360 -1.555 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)CC(C)(C)O)[C@@H](O)C1 ZINC001099809657 776457778 /nfs/dbraw/zinc/45/77/78/776457778.db2.gz KWSQQJQKOJEXNI-ZJUUUORDSA-N 1 2 287.360 -1.555 20 0 CAADLO C[C@H](C(=O)N(C)C)[N@@H+]1CC[C@@H]2CN(C(=O)C(N)=O)[C@@H]2C1 ZINC001084624279 776457858 /nfs/dbraw/zinc/45/78/58/776457858.db2.gz LEXAVWCRRBYTCG-OPRDCNLKSA-N 1 2 282.344 -1.519 20 0 CAADLO C[C@H](C(=O)N(C)C)[N@H+]1CC[C@@H]2CN(C(=O)C(N)=O)[C@@H]2C1 ZINC001084624279 776457864 /nfs/dbraw/zinc/45/78/64/776457864.db2.gz LEXAVWCRRBYTCG-OPRDCNLKSA-N 1 2 282.344 -1.519 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)Cc3ncc[nH]3)[C@@H]2C1 ZINC001084741590 776458643 /nfs/dbraw/zinc/45/86/43/776458643.db2.gz KCAUCLMRYYUGFU-NXEZZACHSA-N 1 2 277.328 -1.030 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)Cc3ncc[nH]3)[C@@H]2C1 ZINC001084741590 776458648 /nfs/dbraw/zinc/45/86/48/776458648.db2.gz KCAUCLMRYYUGFU-NXEZZACHSA-N 1 2 277.328 -1.030 20 0 CAADLO O=C(c1nc[nH]n1)N1C[C@H]2CC[N@@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001084728672 776459171 /nfs/dbraw/zinc/45/91/71/776459171.db2.gz SCJYDNFCEDJXOL-OPRDCNLKSA-N 1 2 290.327 -1.161 20 0 CAADLO O=C(c1nc[nH]n1)N1C[C@H]2CC[N@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001084728672 776459179 /nfs/dbraw/zinc/45/91/79/776459179.db2.gz SCJYDNFCEDJXOL-OPRDCNLKSA-N 1 2 290.327 -1.161 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)c3cnn(C)n3)[C@@H]2C1 ZINC001084719950 776459402 /nfs/dbraw/zinc/45/94/02/776459402.db2.gz UTPFZTPWIPEPJG-MWLCHTKSSA-N 1 2 292.343 -1.293 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)c3cnn(C)n3)[C@@H]2C1 ZINC001084719950 776459406 /nfs/dbraw/zinc/45/94/06/776459406.db2.gz UTPFZTPWIPEPJG-MWLCHTKSSA-N 1 2 292.343 -1.293 20 0 CAADLO O=C(c1nc[nH]n1)N1C[C@H]2CC[N@@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001084728671 776459513 /nfs/dbraw/zinc/45/95/13/776459513.db2.gz SCJYDNFCEDJXOL-KXUCPTDWSA-N 1 2 290.327 -1.161 20 0 CAADLO O=C(c1nc[nH]n1)N1C[C@H]2CC[N@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001084728671 776459516 /nfs/dbraw/zinc/45/95/16/776459516.db2.gz SCJYDNFCEDJXOL-KXUCPTDWSA-N 1 2 290.327 -1.161 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CC[C@@H]2CN(C(=O)c3cnn(C)n3)[C@@H]2C1 ZINC001084719593 776459540 /nfs/dbraw/zinc/45/95/40/776459540.db2.gz BWFYFGKNSDRXIF-IQJOONFLSA-N 1 2 292.343 -1.165 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CC[C@@H]2CN(C(=O)c3cnn(C)n3)[C@@H]2C1 ZINC001084719593 776459543 /nfs/dbraw/zinc/45/95/43/776459543.db2.gz BWFYFGKNSDRXIF-IQJOONFLSA-N 1 2 292.343 -1.165 20 0 CAADLO O=C(CO)NCCC(=O)NCCCn1cc[nH+]c1 ZINC001119621661 776460906 /nfs/dbraw/zinc/46/09/06/776460906.db2.gz XUSSVBHJRDLVJQ-UHFFFAOYSA-N 1 2 254.290 -1.112 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)Cc3nnc[nH]3)[C@@H]2C1 ZINC001084765977 776461075 /nfs/dbraw/zinc/46/10/75/776461075.db2.gz BFQYKVJSEZHTNA-RKDXNWHRSA-N 1 2 278.316 -1.635 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)Cc3nnc[nH]3)[C@@H]2C1 ZINC001084765977 776461081 /nfs/dbraw/zinc/46/10/81/776461081.db2.gz BFQYKVJSEZHTNA-RKDXNWHRSA-N 1 2 278.316 -1.635 20 0 CAADLO Cn1c[nH+]cc1CC(=O)N1CC(S(N)(=O)=O)C1 ZINC001119649649 776462680 /nfs/dbraw/zinc/46/26/80/776462680.db2.gz TWPWLZMTLORUDK-UHFFFAOYSA-N 1 2 258.303 -1.538 20 0 CAADLO Cn1c[nH+]cc1[C@H](CO)NC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001119659549 776462789 /nfs/dbraw/zinc/46/27/89/776462789.db2.gz SUAYAXINRWEENG-YUMQZZPRSA-N 1 2 267.289 -1.407 20 0 CAADLO CNC(=O)NCC(=O)N[C@@H]1CC[N@H+](CC(N)=O)C[C@H]1O ZINC001099859290 776463715 /nfs/dbraw/zinc/46/37/15/776463715.db2.gz ZKTZLDAOMVKWFS-HTQZYQBOSA-N 1 2 287.320 -3.048 20 0 CAADLO CNC(=O)NCC(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C[C@H]1O ZINC001099859290 776463721 /nfs/dbraw/zinc/46/37/21/776463721.db2.gz ZKTZLDAOMVKWFS-HTQZYQBOSA-N 1 2 287.320 -3.048 20 0 CAADLO C/C(=C\C(=O)N1CCO[C@@H](C(N)=O)C1)C[NH+]1CCOCC1 ZINC000820540332 776463839 /nfs/dbraw/zinc/46/38/39/776463839.db2.gz JMFDMDUUJKZYOU-JATZPVMKSA-N 1 2 297.355 -1.022 20 0 CAADLO C/C(=C/C(=O)N1CCO[C@@H](C(N)=O)C1)C[NH+]1CCOCC1 ZINC000820540335 776464101 /nfs/dbraw/zinc/46/41/01/776464101.db2.gz JMFDMDUUJKZYOU-NXIHDVOMSA-N 1 2 297.355 -1.022 20 0 CAADLO CNC(=O)NCC(=O)N[C@H]1CC[N@H+](CC(N)=O)C[C@H]1O ZINC001099859291 776464339 /nfs/dbraw/zinc/46/43/39/776464339.db2.gz ZKTZLDAOMVKWFS-JGVFFNPUSA-N 1 2 287.320 -3.048 20 0 CAADLO CNC(=O)NCC(=O)N[C@H]1CC[N@@H+](CC(N)=O)C[C@H]1O ZINC001099859291 776464343 /nfs/dbraw/zinc/46/43/43/776464343.db2.gz ZKTZLDAOMVKWFS-JGVFFNPUSA-N 1 2 287.320 -3.048 20 0 CAADLO CNC(=O)NCC(=O)N[C@H]1CC[N@H+](CC(N)=O)C[C@@H]1O ZINC001099859293 776464544 /nfs/dbraw/zinc/46/45/44/776464544.db2.gz ZKTZLDAOMVKWFS-YUMQZZPRSA-N 1 2 287.320 -3.048 20 0 CAADLO CNC(=O)NCC(=O)N[C@H]1CC[N@@H+](CC(N)=O)C[C@@H]1O ZINC001099859293 776464548 /nfs/dbraw/zinc/46/45/48/776464548.db2.gz ZKTZLDAOMVKWFS-YUMQZZPRSA-N 1 2 287.320 -3.048 20 0 CAADLO COCC(=O)NCCC[N@@H+](C)Cc1nc(=O)n(C)[nH]1 ZINC001230940094 776465885 /nfs/dbraw/zinc/46/58/85/776465885.db2.gz OSIVPMQETPCHDV-UHFFFAOYSA-N 1 2 271.321 -1.307 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+]1CC[C@H]1CN(C)C(=O)CC(N)=O ZINC001231402532 776470193 /nfs/dbraw/zinc/47/01/93/776470193.db2.gz VIXVSNVUILUPFN-BDAKNGLRSA-N 1 2 270.333 -1.471 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+]1CC[C@H]1CN(C)C(=O)CC(N)=O ZINC001231402532 776470196 /nfs/dbraw/zinc/47/01/96/776470196.db2.gz VIXVSNVUILUPFN-BDAKNGLRSA-N 1 2 270.333 -1.471 20 0 CAADLO COCC(=O)NC[C@@H]1CN(C(=O)Cn2cc[nH+]c2)CCO1 ZINC001065304598 776471960 /nfs/dbraw/zinc/47/19/60/776471960.db2.gz AQUVABLUVATVJQ-LLVKDONJSA-N 1 2 296.327 -1.127 20 0 CAADLO NC(=O)C(=O)N1CCO[C@@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001065550058 776472597 /nfs/dbraw/zinc/47/25/97/776472597.db2.gz DCIHKGOVWVWGAA-QMMMGPOBSA-N 1 2 295.299 -2.219 20 0 CAADLO NC(=O)C(=O)N1CCO[C@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001065556341 776475685 /nfs/dbraw/zinc/47/56/85/776475685.db2.gz TVFKQHOJFFHTLC-SECBINFHSA-N 1 2 295.299 -2.288 20 0 CAADLO CNC(=O)CC(=O)N1CC[C@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001065701584 776477702 /nfs/dbraw/zinc/47/77/02/776477702.db2.gz XYCDDQRWNHDESW-LBPRGKRZSA-N 1 2 296.371 -1.113 20 0 CAADLO CC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)CNC(N)=O)C2)CC1 ZINC001065686047 776477845 /nfs/dbraw/zinc/47/78/45/776477845.db2.gz LEIWZRRQVYMSJX-LLVKDONJSA-N 1 2 297.359 -1.580 20 0 CAADLO CNC(=O)CC(=O)N1CC[NH+]([C@@H]2CCN(C(C)=O)C2)CC1 ZINC001065681187 776477893 /nfs/dbraw/zinc/47/78/93/776477893.db2.gz QZQXGMMXVQIYMX-GFCCVEGCSA-N 1 2 296.371 -1.113 20 0 CAADLO CC(=O)NCC(=O)N1CC[NH+]([C@H]2CCN(C(C)=O)C2)CC1 ZINC001065681053 776478078 /nfs/dbraw/zinc/47/80/78/776478078.db2.gz PSUDFJFCIGAEOS-ZDUSSCGKSA-N 1 2 296.371 -1.113 20 0 CAADLO CC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)CNC(N)=O)CC2)C1 ZINC001065680504 776478140 /nfs/dbraw/zinc/47/81/40/776478140.db2.gz KFSQEMAKBUHBLJ-LLVKDONJSA-N 1 2 297.359 -1.580 20 0 CAADLO COCCn1cc(C(=O)N2CC[N@H+](C)C[C@@H]2CO)nn1 ZINC000824464121 776480683 /nfs/dbraw/zinc/48/06/83/776480683.db2.gz ZGEVJOZHWSZCFN-SNVBAGLBSA-N 1 2 283.332 -1.327 20 0 CAADLO COCCn1cc(C(=O)N2CC[N@@H+](C)C[C@@H]2CO)nn1 ZINC000824464121 776480686 /nfs/dbraw/zinc/48/06/86/776480686.db2.gz ZGEVJOZHWSZCFN-SNVBAGLBSA-N 1 2 283.332 -1.327 20 0 CAADLO NC(=O)NC(=O)C[N@@H+]1CC[C@@H](NC(=O)C(N)=O)[C@H](O)C1 ZINC001099972656 776482248 /nfs/dbraw/zinc/48/22/48/776482248.db2.gz ZXRLWWJKQNDRHJ-PHDIDXHHSA-N 1 2 287.276 -3.782 20 0 CAADLO NC(=O)NC(=O)C[N@H+]1CC[C@@H](NC(=O)C(N)=O)[C@H](O)C1 ZINC001099972656 776482255 /nfs/dbraw/zinc/48/22/55/776482255.db2.gz ZXRLWWJKQNDRHJ-PHDIDXHHSA-N 1 2 287.276 -3.782 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)C2(C(N)=O)CC2)[C@@H](O)C1 ZINC001099982199 776486272 /nfs/dbraw/zinc/48/62/72/776486272.db2.gz YZUILXQYFXJKPG-YUMQZZPRSA-N 1 2 284.316 -2.711 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)C2(C(N)=O)CC2)[C@@H](O)C1 ZINC001099982199 776486280 /nfs/dbraw/zinc/48/62/80/776486280.db2.gz YZUILXQYFXJKPG-YUMQZZPRSA-N 1 2 284.316 -2.711 20 0 CAADLO O=C([C@@H]1COC(=O)N1)N1CC[NH2+][C@@H](c2cn[nH]c2)C1 ZINC000828323280 776486478 /nfs/dbraw/zinc/48/64/78/776486478.db2.gz DYLHTILHMQFUIZ-BDAKNGLRSA-N 1 2 265.273 -1.009 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCNC(=O)C1 ZINC001085543761 776486727 /nfs/dbraw/zinc/48/67/27/776486727.db2.gz DWINJFAMCVHZSR-WDEREUQCSA-N 1 2 296.371 -1.209 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCNC(=O)C1 ZINC001085543761 776486729 /nfs/dbraw/zinc/48/67/29/776486729.db2.gz DWINJFAMCVHZSR-WDEREUQCSA-N 1 2 296.371 -1.209 20 0 CAADLO CN(C)C(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCC(=O)N1 ZINC001085519177 776487089 /nfs/dbraw/zinc/48/70/89/776487089.db2.gz KEWZSQRAJRTLBO-WDEREUQCSA-N 1 2 296.371 -1.114 20 0 CAADLO CN(C)C(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCC(=O)N1 ZINC001085519177 776487093 /nfs/dbraw/zinc/48/70/93/776487093.db2.gz KEWZSQRAJRTLBO-WDEREUQCSA-N 1 2 296.371 -1.114 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCNC(=O)C1 ZINC001085543758 776487199 /nfs/dbraw/zinc/48/71/99/776487199.db2.gz DWINJFAMCVHZSR-GHMZBOCLSA-N 1 2 296.371 -1.209 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCNC(=O)C1 ZINC001085543758 776487201 /nfs/dbraw/zinc/48/72/01/776487201.db2.gz DWINJFAMCVHZSR-GHMZBOCLSA-N 1 2 296.371 -1.209 20 0 CAADLO O=C([C@H]1COC(=O)N1)N1CC[NH2+][C@H](c2cn[nH]c2)C1 ZINC000828323281 776487231 /nfs/dbraw/zinc/48/72/31/776487231.db2.gz DYLHTILHMQFUIZ-DTWKUNHWSA-N 1 2 265.273 -1.009 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cc(=O)n(C)o1 ZINC001085569477 776488404 /nfs/dbraw/zinc/48/84/04/776488404.db2.gz KNSRCVZAQMOQPM-DTWKUNHWSA-N 1 2 296.327 -1.002 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CC[C@@H]1CN(C)C(=O)c1cc(=O)n(C)o1 ZINC001085569477 776488406 /nfs/dbraw/zinc/48/84/06/776488406.db2.gz KNSRCVZAQMOQPM-DTWKUNHWSA-N 1 2 296.327 -1.002 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CC[C@H]1CN(C)C(=O)c1cc(=O)n(C)o1 ZINC001085569476 776488508 /nfs/dbraw/zinc/48/85/08/776488508.db2.gz KNSRCVZAQMOQPM-BDAKNGLRSA-N 1 2 296.327 -1.002 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CC[C@H]1CN(C)C(=O)c1cc(=O)n(C)o1 ZINC001085569476 776488511 /nfs/dbraw/zinc/48/85/11/776488511.db2.gz KNSRCVZAQMOQPM-BDAKNGLRSA-N 1 2 296.327 -1.002 20 0 CAADLO CC[N@H+](Cc1cnnn1C)[C@H](C)CNC(=O)C(N)=O ZINC001154945092 776488685 /nfs/dbraw/zinc/48/86/85/776488685.db2.gz PFTKPWYBWIILHA-MRVPVSSYSA-N 1 2 268.321 -1.373 20 0 CAADLO CC[N@@H+](Cc1cnnn1C)[C@H](C)CNC(=O)C(N)=O ZINC001154945092 776488688 /nfs/dbraw/zinc/48/86/88/776488688.db2.gz PFTKPWYBWIILHA-MRVPVSSYSA-N 1 2 268.321 -1.373 20 0 CAADLO C[C@H](O)C[N@@H+]1CC[C@H]1CN(C)C(=O)C1CS(=O)(=O)C1 ZINC001085615775 776489921 /nfs/dbraw/zinc/48/99/21/776489921.db2.gz VITIYJXYIQKLRA-ONGXEEELSA-N 1 2 290.385 -1.056 20 0 CAADLO C[C@H](O)C[N@H+]1CC[C@H]1CN(C)C(=O)C1CS(=O)(=O)C1 ZINC001085615775 776489924 /nfs/dbraw/zinc/48/99/24/776489924.db2.gz VITIYJXYIQKLRA-ONGXEEELSA-N 1 2 290.385 -1.056 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CC(=O)N(C)C1 ZINC001085626833 776489993 /nfs/dbraw/zinc/48/99/93/776489993.db2.gz UJGCAWGGPUIGOC-GHMZBOCLSA-N 1 2 296.371 -1.257 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CC(=O)N(C)C1 ZINC001085626833 776489997 /nfs/dbraw/zinc/48/99/97/776489997.db2.gz UJGCAWGGPUIGOC-GHMZBOCLSA-N 1 2 296.371 -1.257 20 0 CAADLO CN(C[C@@H]1CC[N@@H+]1CCCO)C(=O)C1CS(=O)(=O)C1 ZINC001085615443 776490479 /nfs/dbraw/zinc/49/04/79/776490479.db2.gz MPMCQHTZOXTGIU-NSHDSACASA-N 1 2 290.385 -1.054 20 0 CAADLO CN(C[C@@H]1CC[N@H+]1CCCO)C(=O)C1CS(=O)(=O)C1 ZINC001085615443 776490483 /nfs/dbraw/zinc/49/04/83/776490483.db2.gz MPMCQHTZOXTGIU-NSHDSACASA-N 1 2 290.385 -1.054 20 0 CAADLO C[C@@H](O)C[N@@H+]1CC[C@H]1CN(C)C(=O)C1CS(=O)(=O)C1 ZINC001085615773 776490622 /nfs/dbraw/zinc/49/06/22/776490622.db2.gz VITIYJXYIQKLRA-KOLCDFICSA-N 1 2 290.385 -1.056 20 0 CAADLO C[C@@H](O)C[N@H+]1CC[C@H]1CN(C)C(=O)C1CS(=O)(=O)C1 ZINC001085615773 776490649 /nfs/dbraw/zinc/49/06/49/776490649.db2.gz VITIYJXYIQKLRA-KOLCDFICSA-N 1 2 290.385 -1.056 20 0 CAADLO C[C@@H](O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)C1CS(=O)(=O)C1 ZINC001085615774 776490719 /nfs/dbraw/zinc/49/07/19/776490719.db2.gz VITIYJXYIQKLRA-MWLCHTKSSA-N 1 2 290.385 -1.056 20 0 CAADLO C[C@@H](O)C[N@H+]1CC[C@@H]1CN(C)C(=O)C1CS(=O)(=O)C1 ZINC001085615774 776490724 /nfs/dbraw/zinc/49/07/24/776490724.db2.gz VITIYJXYIQKLRA-MWLCHTKSSA-N 1 2 290.385 -1.056 20 0 CAADLO CN(C)C(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCNC1=O ZINC001085762261 776492563 /nfs/dbraw/zinc/49/25/63/776492563.db2.gz DYXPSOPQUQIODI-MNOVXSKESA-N 1 2 296.371 -1.257 20 0 CAADLO CN(C)C(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCNC1=O ZINC001085762261 776492568 /nfs/dbraw/zinc/49/25/68/776492568.db2.gz DYXPSOPQUQIODI-MNOVXSKESA-N 1 2 296.371 -1.257 20 0 CAADLO CC[C@H](C(N)=O)[N@@H+]1CC[C@@H]1CN(C)C(=O)c1nnn(C)n1 ZINC001085771905 776493021 /nfs/dbraw/zinc/49/30/21/776493021.db2.gz MKUPEWGVIKCFOU-RKDXNWHRSA-N 1 2 295.347 -1.380 20 0 CAADLO CC[C@H](C(N)=O)[N@H+]1CC[C@@H]1CN(C)C(=O)c1nnn(C)n1 ZINC001085771905 776493024 /nfs/dbraw/zinc/49/30/24/776493024.db2.gz MKUPEWGVIKCFOU-RKDXNWHRSA-N 1 2 295.347 -1.380 20 0 CAADLO CN(C)C(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCNC1=O ZINC001085762263 776493181 /nfs/dbraw/zinc/49/31/81/776493181.db2.gz DYXPSOPQUQIODI-WDEREUQCSA-N 1 2 296.371 -1.257 20 0 CAADLO CN(C)C(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCNC1=O ZINC001085762263 776493183 /nfs/dbraw/zinc/49/31/83/776493183.db2.gz DYXPSOPQUQIODI-WDEREUQCSA-N 1 2 296.371 -1.257 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CC[C@@H]1CN(C)C(=O)c1c[nH]c(=O)cn1 ZINC001085788291 776493228 /nfs/dbraw/zinc/49/32/28/776493228.db2.gz HQPRASXNJJWJNO-RKDXNWHRSA-N 1 2 293.327 -1.210 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CC[C@@H]1CN(C)C(=O)c1c[nH]c(=O)cn1 ZINC001085788291 776493230 /nfs/dbraw/zinc/49/32/30/776493230.db2.gz HQPRASXNJJWJNO-RKDXNWHRSA-N 1 2 293.327 -1.210 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@H](C)N2CCOCC2)C1 ZINC001016434505 776495041 /nfs/dbraw/zinc/49/50/41/776495041.db2.gz XUKQGJWZSJZTBC-NWDGAFQWSA-N 1 2 298.387 -1.356 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@H](C)N2CCOCC2)C1 ZINC001016434505 776495048 /nfs/dbraw/zinc/49/50/48/776495048.db2.gz XUKQGJWZSJZTBC-NWDGAFQWSA-N 1 2 298.387 -1.356 20 0 CAADLO O=C(CCc1cnn[nH]1)N[C@@H]1CC[N@@H+](CCO)C[C@@H]1O ZINC001100011572 776495958 /nfs/dbraw/zinc/49/59/58/776495958.db2.gz REJWWKYOFQGKPC-MNOVXSKESA-N 1 2 283.332 -1.719 20 0 CAADLO O=C(CCc1cnn[nH]1)N[C@@H]1CC[N@H+](CCO)C[C@@H]1O ZINC001100011572 776495963 /nfs/dbraw/zinc/49/59/63/776495963.db2.gz REJWWKYOFQGKPC-MNOVXSKESA-N 1 2 283.332 -1.719 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)CCc2cn[nH]c2)[C@H](O)C1 ZINC001100031539 776499692 /nfs/dbraw/zinc/49/96/92/776499692.db2.gz GXMORYWMUNZPJP-WDEREUQCSA-N 1 2 295.343 -1.621 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)CCc2cn[nH]c2)[C@H](O)C1 ZINC001100031539 776499698 /nfs/dbraw/zinc/49/96/98/776499698.db2.gz GXMORYWMUNZPJP-WDEREUQCSA-N 1 2 295.343 -1.621 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cncn2C)[C@H](O)C1 ZINC001090403925 776500304 /nfs/dbraw/zinc/50/03/04/776500304.db2.gz QHRMRNIAVYONFD-GXSJLCMTSA-N 1 2 295.343 -1.669 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cncn2C)[C@H](O)C1 ZINC001090403925 776500307 /nfs/dbraw/zinc/50/03/07/776500307.db2.gz QHRMRNIAVYONFD-GXSJLCMTSA-N 1 2 295.343 -1.669 20 0 CAADLO Cn1nnnc1C[NH2+][C@H]1C[C@@H](CNC(=O)c2cn[nH]n2)C1 ZINC001086135050 776501313 /nfs/dbraw/zinc/50/13/13/776501313.db2.gz LRQHDVSFWNOUKR-OCAPTIKFSA-N 1 2 291.319 -1.374 20 0 CAADLO Cn1nnnc1C[NH2+][C@H]1C[C@@H](CNC(=O)c2cnn[nH]2)C1 ZINC001086135050 776501319 /nfs/dbraw/zinc/50/13/19/776501319.db2.gz LRQHDVSFWNOUKR-OCAPTIKFSA-N 1 2 291.319 -1.374 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)CCn2cnnn2)[C@H](O)C1 ZINC001100046780 776503939 /nfs/dbraw/zinc/50/39/39/776503939.db2.gz RURUXQQYHFDIKO-RKDXNWHRSA-N 1 2 297.319 -2.900 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)CCn2cnnn2)[C@H](O)C1 ZINC001100046780 776503947 /nfs/dbraw/zinc/50/39/47/776503947.db2.gz RURUXQQYHFDIKO-RKDXNWHRSA-N 1 2 297.319 -2.900 20 0 CAADLO CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cnon2)[C@@H](O)C1 ZINC001100041282 776504111 /nfs/dbraw/zinc/50/41/11/776504111.db2.gz GWOABWZSYVLBAM-SCZZXKLOSA-N 1 2 297.315 -1.629 20 0 CAADLO CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cnon2)[C@@H](O)C1 ZINC001100041282 776504113 /nfs/dbraw/zinc/50/41/13/776504113.db2.gz GWOABWZSYVLBAM-SCZZXKLOSA-N 1 2 297.315 -1.629 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)C(=O)NCC2CC2)[C@H](O)C1 ZINC001100056596 776504412 /nfs/dbraw/zinc/50/44/12/776504412.db2.gz WTXHGOPIVGAHEY-NXEZZACHSA-N 1 2 298.343 -2.451 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)C(=O)NCC2CC2)[C@H](O)C1 ZINC001100056596 776504414 /nfs/dbraw/zinc/50/44/14/776504414.db2.gz WTXHGOPIVGAHEY-NXEZZACHSA-N 1 2 298.343 -2.451 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)C(=O)NCC2CC2)[C@@H](O)C1 ZINC001100056599 776505391 /nfs/dbraw/zinc/50/53/91/776505391.db2.gz WTXHGOPIVGAHEY-ZJUUUORDSA-N 1 2 298.343 -2.451 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)C(=O)NCC2CC2)[C@@H](O)C1 ZINC001100056599 776505396 /nfs/dbraw/zinc/50/53/96/776505396.db2.gz WTXHGOPIVGAHEY-ZJUUUORDSA-N 1 2 298.343 -2.451 20 0 CAADLO Cn1ncc(C(=O)NC[C@]2(C)C[N@H+](CCO)CCO2)n1 ZINC001108278196 776510800 /nfs/dbraw/zinc/51/08/00/776510800.db2.gz IUWVRVZLVOTNNU-GFCCVEGCSA-N 1 2 283.332 -1.372 20 0 CAADLO Cn1ncc(C(=O)NC[C@]2(C)C[N@@H+](CCO)CCO2)n1 ZINC001108278196 776510805 /nfs/dbraw/zinc/51/08/05/776510805.db2.gz IUWVRVZLVOTNNU-GFCCVEGCSA-N 1 2 283.332 -1.372 20 0 CAADLO O=C(/C=C/C[NH+]1CCOCC1)N[C@@H]1C[C@@H](O)[C@@H](O)C1 ZINC001155985702 776512118 /nfs/dbraw/zinc/51/21/18/776512118.db2.gz XVVCHLLNVGHXPT-QWCGILNFSA-N 1 2 270.329 -1.125 20 0 CAADLO Cn1nnnc1C[NH2+][C@H]1C[C@H](CNC(=O)c2nnc[nH]2)C1 ZINC001086507626 776512171 /nfs/dbraw/zinc/51/21/71/776512171.db2.gz DVXXBLGGPUGNKB-ZKCHVHJHSA-N 1 2 291.319 -1.374 20 0 CAADLO Cn1nnnc1C[NH2+][C@H]1C[C@H](CNC(=O)c2ncn[nH]2)C1 ZINC001086507626 776512173 /nfs/dbraw/zinc/51/21/73/776512173.db2.gz DVXXBLGGPUGNKB-ZKCHVHJHSA-N 1 2 291.319 -1.374 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)CCNC(N)=O)[C@@H](O)C1 ZINC001100106113 776513790 /nfs/dbraw/zinc/51/37/90/776513790.db2.gz PCDUMPKZSMLPEL-YUMQZZPRSA-N 1 2 287.320 -2.919 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)CCNC(N)=O)[C@@H](O)C1 ZINC001100106113 776513797 /nfs/dbraw/zinc/51/37/97/776513797.db2.gz PCDUMPKZSMLPEL-YUMQZZPRSA-N 1 2 287.320 -2.919 20 0 CAADLO Cn1nnc(C[NH2+]CCCNC(=O)c2cnon2)n1 ZINC001168875788 776518164 /nfs/dbraw/zinc/51/81/64/776518164.db2.gz RPZSRQMCYYSGHI-UHFFFAOYSA-N 1 2 266.265 -1.497 20 0 CAADLO CN1CCN(c2nccnc2-n2nnnc2C[NH3+])CC1 ZINC001168920590 776518850 /nfs/dbraw/zinc/51/88/50/776518850.db2.gz IZQDIMURNKAPDF-UHFFFAOYSA-N 1 2 275.320 -1.337 20 0 CAADLO Cn1nnc(C[NH2+]CCCNC(=O)c2ncccn2)n1 ZINC001168949495 776519830 /nfs/dbraw/zinc/51/98/30/776519830.db2.gz ILFSGSWAEDRRAH-UHFFFAOYSA-N 1 2 276.304 -1.090 20 0 CAADLO Cn1cc(C[NH+]2CCC3(CC2)NC(=O)NC3=O)nn1 ZINC001168931128 776520476 /nfs/dbraw/zinc/52/04/76/776520476.db2.gz FNJNCTUWPWMUNS-UHFFFAOYSA-N 1 2 264.289 -1.011 20 0 CAADLO NC(=O)c1c[nH]c2nc[nH+]c(N[C@@H](CO)C(N)=O)c12 ZINC001169325929 776526130 /nfs/dbraw/zinc/52/61/30/776526130.db2.gz WTZGUBJCWCUFMU-YFKPBYRVSA-N 1 2 264.245 -1.685 20 0 CAADLO Cn1nnc(C[NH2+]CCCNC(=O)C(=O)NCC2CC2)n1 ZINC001169453699 776528848 /nfs/dbraw/zinc/52/88/48/776528848.db2.gz TWVUFBUICAEYNI-UHFFFAOYSA-N 1 2 295.347 -1.668 20 0 CAADLO COCC(=O)N[C@@H]1CC(=O)N(C2C[NH+](CCO)C2)C1 ZINC001108494295 776529799 /nfs/dbraw/zinc/52/97/99/776529799.db2.gz JTQBDQVPFBTKQB-SECBINFHSA-N 1 2 271.317 -1.974 20 0 CAADLO CC(=O)NCC(=O)N[C@H]1CC(=O)N(C2C[NH+](CCO)C2)C1 ZINC001108497031 776531808 /nfs/dbraw/zinc/53/18/08/776531808.db2.gz ZOUNSLXFUNZYCT-JTQLQIEISA-N 1 2 298.343 -2.484 20 0 CAADLO CC(=O)N1CC[C@@H]([NH+]2CC(N3CCNC(=O)C3)C2)C1 ZINC001169556093 776533364 /nfs/dbraw/zinc/53/33/64/776533364.db2.gz ONDRBOIGPYTJGE-LLVKDONJSA-N 1 2 266.345 -1.277 20 0 CAADLO CCO[C@@H](C)C(=O)N[C@@H]1CC(=O)N(C2C[NH+](CCO)C2)C1 ZINC001108513652 776533417 /nfs/dbraw/zinc/53/34/17/776533417.db2.gz OVOWCOFTVXEQBS-WDEREUQCSA-N 1 2 299.371 -1.195 20 0 CAADLO CSCC(=O)N[C@H]1CC(=O)N(C2C[NH+](CCO)C2)C1 ZINC001108503191 776533456 /nfs/dbraw/zinc/53/34/56/776533456.db2.gz XOZFKCGRWBMFEM-VIFPVBQESA-N 1 2 287.385 -1.257 20 0 CAADLO COCC[NH+]1CC(N2C[C@H](NC(=O)CC(N)=O)CC2=O)C1 ZINC001108523991 776533793 /nfs/dbraw/zinc/53/37/93/776533793.db2.gz WVHSQDOXEKBARJ-SECBINFHSA-N 1 2 298.343 -2.091 20 0 CAADLO CO[C@@H](C)C(=O)N[C@H]1CC(=O)N(C2C[NH+](CCO)C2)C1 ZINC001108514462 776533876 /nfs/dbraw/zinc/53/38/76/776533876.db2.gz FBQOCHYNWZXESN-UWVGGRQHSA-N 1 2 285.344 -1.585 20 0 CAADLO COC[C@H](C)C(=O)N[C@@H]1CC(=O)N(C2C[NH+](CCO)C2)C1 ZINC001108523600 776534339 /nfs/dbraw/zinc/53/43/39/776534339.db2.gz MUDLZRROAWLQBF-WDEREUQCSA-N 1 2 299.371 -1.338 20 0 CAADLO CO[C@H](C)C(=O)N[C@@H]1CC(=O)N(C2C[NH+](CCO)C2)C1 ZINC001108514461 776534848 /nfs/dbraw/zinc/53/48/48/776534848.db2.gz FBQOCHYNWZXESN-NXEZZACHSA-N 1 2 285.344 -1.585 20 0 CAADLO CC[C@H](OC)C(=O)N[C@H]1CC(=O)N(C2C[NH+](CCO)C2)C1 ZINC001108517443 776535059 /nfs/dbraw/zinc/53/50/59/776535059.db2.gz IBDKZRUABFHPSX-JQWIXIFHSA-N 1 2 299.371 -1.195 20 0 CAADLO CC(C)(O)CC(=O)N[C@@H]1CC(=O)N(C2C[NH+](CCO)C2)C1 ZINC001108540578 776536215 /nfs/dbraw/zinc/53/62/15/776536215.db2.gz BOKLPVBEIWSPLB-SNVBAGLBSA-N 1 2 299.371 -1.459 20 0 CAADLO O=C(CCc1nn[nH]n1)NCC[N@H+]1CC[C@H](O)C1 ZINC001169912790 776537804 /nfs/dbraw/zinc/53/78/04/776537804.db2.gz PPJVLXYAYZFSKN-QMMMGPOBSA-N 1 2 254.294 -1.685 20 0 CAADLO O=C(CCc1nn[nH]n1)NCC[N@@H+]1CC[C@H](O)C1 ZINC001169912790 776537807 /nfs/dbraw/zinc/53/78/07/776537807.db2.gz PPJVLXYAYZFSKN-QMMMGPOBSA-N 1 2 254.294 -1.685 20 0 CAADLO Cn1[nH]c(CNCCNC(=O)C2([NH+](C)C)CCC2)nc1=O ZINC001129351591 776540003 /nfs/dbraw/zinc/54/00/03/776540003.db2.gz LFPYGVUWYLAKNS-UHFFFAOYSA-N 1 2 296.375 -1.202 20 0 CAADLO CNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COC)C2 ZINC001108846588 776541739 /nfs/dbraw/zinc/54/17/39/776541739.db2.gz CPLPPKSVNHLOKA-UTLUCORTSA-N 1 2 298.343 -1.190 20 0 CAADLO CNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COC)C2 ZINC001108846588 776541741 /nfs/dbraw/zinc/54/17/41/776541741.db2.gz CPLPPKSVNHLOKA-UTLUCORTSA-N 1 2 298.343 -1.190 20 0 CAADLO CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC(N)=O ZINC001108841527 776542120 /nfs/dbraw/zinc/54/21/20/776542120.db2.gz AJFWZUVHNXQHLE-VGMNWLOBSA-N 1 2 254.290 -1.077 20 0 CAADLO CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC(N)=O ZINC001108841527 776542125 /nfs/dbraw/zinc/54/21/25/776542125.db2.gz AJFWZUVHNXQHLE-VGMNWLOBSA-N 1 2 254.290 -1.077 20 0 CAADLO OC[C@H]1O[C@@H](O)[C@H](Nc2cccc[nH+]2)[C@@H](O)[C@@H]1O ZINC001169970380 776542333 /nfs/dbraw/zinc/54/23/33/776542333.db2.gz TVDJKJZQXKESCC-NENRSDFPSA-N 1 2 256.258 -1.707 20 0 CAADLO CO[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC(N)=O ZINC001109005681 776545753 /nfs/dbraw/zinc/54/57/53/776545753.db2.gz BTHQGSHCCZICRJ-IMSYWVGJSA-N 1 2 298.343 -1.062 20 0 CAADLO CO[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC(N)=O ZINC001109005681 776545760 /nfs/dbraw/zinc/54/57/60/776545760.db2.gz BTHQGSHCCZICRJ-IMSYWVGJSA-N 1 2 298.343 -1.062 20 0 CAADLO NC(=O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC(N)=O ZINC001109106262 776546713 /nfs/dbraw/zinc/54/67/13/776546713.db2.gz IXRBJGFHYIKJGY-CSMHCCOUSA-N 1 2 297.315 -2.222 20 0 CAADLO NC(=O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC(N)=O ZINC001109106262 776546719 /nfs/dbraw/zinc/54/67/19/776546719.db2.gz IXRBJGFHYIKJGY-CSMHCCOUSA-N 1 2 297.315 -2.222 20 0 CAADLO COCCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(N)=O ZINC001109090017 776546770 /nfs/dbraw/zinc/54/67/70/776546770.db2.gz ABKCQZHAVXZRBT-VWYCJHECSA-N 1 2 285.344 -1.144 20 0 CAADLO COCCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(N)=O ZINC001109090017 776546781 /nfs/dbraw/zinc/54/67/81/776546781.db2.gz ABKCQZHAVXZRBT-VWYCJHECSA-N 1 2 285.344 -1.144 20 0 CAADLO Cc1nc(N[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]2O)cc[nH+]1 ZINC001169977284 776547538 /nfs/dbraw/zinc/54/75/38/776547538.db2.gz UDCOMYQTRRNMJD-QVDPWDGTSA-N 1 2 271.273 -2.003 20 0 CAADLO C[C@H](NC(N)=O)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(N)=O ZINC001109197547 776548237 /nfs/dbraw/zinc/54/82/37/776548237.db2.gz YHIQOGLJXQGVOG-KZVJFYERSA-N 1 2 283.332 -1.750 20 0 CAADLO C[C@H](NC(N)=O)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(N)=O ZINC001109197547 776548238 /nfs/dbraw/zinc/54/82/38/776548238.db2.gz YHIQOGLJXQGVOG-KZVJFYERSA-N 1 2 283.332 -1.750 20 0 CAADLO NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCn1ccnn1)C2 ZINC001109198858 776548679 /nfs/dbraw/zinc/54/86/79/776548679.db2.gz HSSHZKXIHOOKKL-VWYCJHECSA-N 1 2 292.343 -1.125 20 0 CAADLO NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCn1ccnn1)C2 ZINC001109198858 776548681 /nfs/dbraw/zinc/54/86/81/776548681.db2.gz HSSHZKXIHOOKKL-VWYCJHECSA-N 1 2 292.343 -1.125 20 0 CAADLO CCS(=O)(=O)CC(=O)N[C@@H]1CC[N@H+](CCO)C[C@@H]1O ZINC001100128971 776548799 /nfs/dbraw/zinc/54/87/99/776548799.db2.gz GQVBFHPLEQLRGQ-ZJUUUORDSA-N 1 2 294.373 -2.035 20 0 CAADLO CCS(=O)(=O)CC(=O)N[C@@H]1CC[N@@H+](CCO)C[C@@H]1O ZINC001100128971 776548803 /nfs/dbraw/zinc/54/88/03/776548803.db2.gz GQVBFHPLEQLRGQ-ZJUUUORDSA-N 1 2 294.373 -2.035 20 0 CAADLO C[C@@H](C(=O)NC(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(N)=O)C2 ZINC001109657889 776550025 /nfs/dbraw/zinc/55/00/25/776550025.db2.gz JCLLQZMGHJALNU-YWIQKCBGSA-N 1 2 297.315 -2.223 20 0 CAADLO C[C@@H](C(=O)NC(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(N)=O)C2 ZINC001109657889 776550027 /nfs/dbraw/zinc/55/00/27/776550027.db2.gz JCLLQZMGHJALNU-YWIQKCBGSA-N 1 2 297.315 -2.223 20 0 CAADLO C[C@H](CC(N)=O)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(N)=O ZINC001109599324 776550071 /nfs/dbraw/zinc/55/00/71/776550071.db2.gz FXXYOFLKRVSCMK-IMSYWVGJSA-N 1 2 282.344 -1.295 20 0 CAADLO C[C@H](CC(N)=O)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(N)=O ZINC001109599324 776550073 /nfs/dbraw/zinc/55/00/73/776550073.db2.gz FXXYOFLKRVSCMK-IMSYWVGJSA-N 1 2 282.344 -1.295 20 0 CAADLO C[C@@H](CN(C)c1[nH+]cnc2c1cnn2C)NC(=O)C(N)=O ZINC001109215308 776550280 /nfs/dbraw/zinc/55/02/80/776550280.db2.gz YGNKDVOXAGTHHE-ZETCQYMHSA-N 1 2 291.315 -1.211 20 0 CAADLO CNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)CC(N)=O)C2 ZINC001109597389 776550475 /nfs/dbraw/zinc/55/04/75/776550475.db2.gz KDWSYODGCLCVFY-ZNSHCXBVSA-N 1 2 296.371 -1.035 20 0 CAADLO CNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)CC(N)=O)C2 ZINC001109597389 776550478 /nfs/dbraw/zinc/55/04/78/776550478.db2.gz KDWSYODGCLCVFY-ZNSHCXBVSA-N 1 2 296.371 -1.035 20 0 CAADLO NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CO[C@H]1CCOC1)C2 ZINC001109282084 776550795 /nfs/dbraw/zinc/55/07/95/776550795.db2.gz XHYQMQBOKBZLBH-RHYQMDGZSA-N 1 2 297.355 -1.001 20 0 CAADLO NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CO[C@H]1CCOC1)C2 ZINC001109282084 776550803 /nfs/dbraw/zinc/55/08/03/776550803.db2.gz XHYQMQBOKBZLBH-RHYQMDGZSA-N 1 2 297.355 -1.001 20 0 CAADLO CNC(=O)NCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(N)=O ZINC001109375537 776551171 /nfs/dbraw/zinc/55/11/71/776551171.db2.gz DBARJUKFOCJZLP-VGMNWLOBSA-N 1 2 283.332 -1.878 20 0 CAADLO CNC(=O)NCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(N)=O ZINC001109375537 776551179 /nfs/dbraw/zinc/55/11/79/776551179.db2.gz DBARJUKFOCJZLP-VGMNWLOBSA-N 1 2 283.332 -1.878 20 0 CAADLO NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(C(N)=O)CC1)C2 ZINC001109660075 776551975 /nfs/dbraw/zinc/55/19/75/776551975.db2.gz UUMDSULQEFWGIQ-VGMNWLOBSA-N 1 2 280.328 -1.541 20 0 CAADLO NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(C(N)=O)CC1)C2 ZINC001109660075 776551980 /nfs/dbraw/zinc/55/19/80/776551980.db2.gz UUMDSULQEFWGIQ-VGMNWLOBSA-N 1 2 280.328 -1.541 20 0 CAADLO CNC(=O)C1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(N)=O)CC1 ZINC001109837074 776552507 /nfs/dbraw/zinc/55/25/07/776552507.db2.gz QBILEIFVIHGQSW-UTLUCORTSA-N 1 2 294.355 -1.281 20 0 CAADLO CNC(=O)C1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(N)=O)CC1 ZINC001109837074 776552510 /nfs/dbraw/zinc/55/25/10/776552510.db2.gz QBILEIFVIHGQSW-UTLUCORTSA-N 1 2 294.355 -1.281 20 0 CAADLO C[C@H](NC(N)=O)C(=O)NCCC[NH2+]Cc1nnn(C)n1 ZINC001157043966 776554875 /nfs/dbraw/zinc/55/48/75/776554875.db2.gz APAIAYVNDQPOAC-ZETCQYMHSA-N 1 2 284.324 -2.137 20 0 CAADLO COCC(=O)N1CC[NH+](CCOCCNC(C)=O)CC1 ZINC001112593810 776556393 /nfs/dbraw/zinc/55/63/93/776556393.db2.gz PKPMQGIKDUUZFL-UHFFFAOYSA-N 1 2 287.360 -1.070 20 0 CAADLO O=C(CN1CCCC1=O)N1CC[NH+](CCOCCO)CC1 ZINC001112605226 776557206 /nfs/dbraw/zinc/55/72/06/776557206.db2.gz PHIXEYYDPIIXME-UHFFFAOYSA-N 1 2 299.371 -1.238 20 0 CAADLO CC(=O)N[C@H](C)C(=O)N1CC[NH+](CCn2cncn2)CC1 ZINC001112603405 776557599 /nfs/dbraw/zinc/55/75/99/776557599.db2.gz SKLBDJKIVFBGTA-LLVKDONJSA-N 1 2 294.359 -1.053 20 0 CAADLO O=C(c1ccc(=O)[nH]n1)N1CC[NH+](CCOCCO)CC1 ZINC001112601339 776557910 /nfs/dbraw/zinc/55/79/10/776557910.db2.gz OOJQGLGQJVYENX-UHFFFAOYSA-N 1 2 296.327 -1.051 20 0 CAADLO Cn1c[nH+]cc1CN1CCN(C(=O)CNC(N)=O)CC1 ZINC001112608992 776558923 /nfs/dbraw/zinc/55/89/23/776558923.db2.gz WQIGVCJGULSVTL-UHFFFAOYSA-N 1 2 280.332 -1.267 20 0 CAADLO NC(=O)NCC(=O)N1CC[NH+](CCOCCO)CC1 ZINC001112606818 776558993 /nfs/dbraw/zinc/55/89/93/776558993.db2.gz NUFJNRBZXYIAAM-UHFFFAOYSA-N 1 2 274.321 -2.192 20 0 CAADLO CC(=O)N(C)CC(=O)N1CC[NH+](CCOCCO)CC1 ZINC001112627453 776559888 /nfs/dbraw/zinc/55/98/88/776559888.db2.gz KAUDKFZIZQDCJW-UHFFFAOYSA-N 1 2 287.360 -1.382 20 0 CAADLO COC(=O)NCC(=O)N1CC[NH+](CCOCCO)CC1 ZINC001112651903 776562279 /nfs/dbraw/zinc/56/22/79/776562279.db2.gz QQFOXFJXOYFBLY-UHFFFAOYSA-N 1 2 289.332 -1.505 20 0 CAADLO Nc1nccnc1C(=O)N1CC[NH+](CCOCCO)CC1 ZINC001112720048 776565063 /nfs/dbraw/zinc/56/50/63/776565063.db2.gz XKUIINCJIZAJTI-UHFFFAOYSA-N 1 2 295.343 -1.175 20 0 CAADLO Cc1c(C(=O)N2CC[NH+](CCOCCO)CC2)nnn1C ZINC001112738515 776565853 /nfs/dbraw/zinc/56/58/53/776565853.db2.gz HYTFGPRSWDTNNZ-UHFFFAOYSA-N 1 2 297.359 -1.110 20 0 CAADLO C[C@@H](C(=O)N1CC[NH+](CCOCCO)CC1)n1cncn1 ZINC001112770058 776567342 /nfs/dbraw/zinc/56/73/42/776567342.db2.gz BESUUYFFICUDAB-LBPRGKRZSA-N 1 2 297.359 -1.008 20 0 CAADLO CNC(=O)CC(=O)N1CC[NH+](CCN2CCNC2=O)CC1 ZINC001112793978 776568441 /nfs/dbraw/zinc/56/84/41/776568441.db2.gz RGBOEIUNAHBWGA-UHFFFAOYSA-N 1 2 297.359 -1.708 20 0 CAADLO CNC(=O)CC(=O)N1CC[NH+](CCn2cncn2)CC1 ZINC001112795772 776568615 /nfs/dbraw/zinc/56/86/15/776568615.db2.gz KNQNQZCXPKZBME-UHFFFAOYSA-N 1 2 280.332 -1.442 20 0 CAADLO C[C@H](NC(N)=O)C(=O)N1CC[NH+](CCOCCO)CC1 ZINC001112798157 776570124 /nfs/dbraw/zinc/57/01/24/776570124.db2.gz QVAKMMVNZJILOY-JTQLQIEISA-N 1 2 288.348 -1.804 20 0 CAADLO O=C([C@@H]1COC(=O)N1)N1CC[NH+](CCOCCO)CC1 ZINC001112815380 776570305 /nfs/dbraw/zinc/57/03/05/776570305.db2.gz OGFJIJWKQQSOCF-JTQLQIEISA-N 1 2 287.316 -1.752 20 0 CAADLO COC[C@@H](O)C[NH+]1CCN(C(=O)c2ncn(C)n2)CC1 ZINC001112818669 776570585 /nfs/dbraw/zinc/57/05/85/776570585.db2.gz PGIHPZAEJKRXLA-JTQLQIEISA-N 1 2 283.332 -1.420 20 0 CAADLO COCCOCC[NH+]1CCN(C(=O)Cn2ncnn2)CC1 ZINC001112857594 776574205 /nfs/dbraw/zinc/57/42/05/776574205.db2.gz QZSIQLAEGJFTRN-UHFFFAOYSA-N 1 2 298.347 -1.520 20 0 CAADLO CN1C[C@H](C(=O)N2CC[NH+](CCOCCO)CC2)CC1=O ZINC001112909128 776574302 /nfs/dbraw/zinc/57/43/02/776574302.db2.gz LMZUVTCSTFLGAX-GFCCVEGCSA-N 1 2 299.371 -1.382 20 0 CAADLO O=C([C@H]1CCCC(=O)N1)N1CC[NH+](CCOCCO)CC1 ZINC001112992753 776576543 /nfs/dbraw/zinc/57/65/43/776576543.db2.gz QOVPCSIRYHGSQC-GFCCVEGCSA-N 1 2 299.371 -1.192 20 0 CAADLO O=C(c1cnc[nH]c1=O)N1CC[NH+](CCOCCO)CC1 ZINC001112996672 776576865 /nfs/dbraw/zinc/57/68/65/776576865.db2.gz ZEYUNFSQWRNSGH-UHFFFAOYSA-N 1 2 296.327 -1.051 20 0 CAADLO Cn1cc([C@@H]2CN(C(=O)C3(O)COC3)CC[NH2+]2)cn1 ZINC001170113288 776577270 /nfs/dbraw/zinc/57/72/70/776577270.db2.gz XMSDWIHNYMANJE-JTQLQIEISA-N 1 2 266.301 -1.346 20 0 CAADLO O=C(c1cn[nH]n1)N1CC[NH+](CCOCCO)CC1 ZINC001113062272 776577738 /nfs/dbraw/zinc/57/77/38/776577738.db2.gz SHVQLBDZPAEIEP-UHFFFAOYSA-N 1 2 269.305 -1.429 20 0 CAADLO C[C@@H](CC(N)=O)C(=O)N1CC[NH+](CCOCCO)CC1 ZINC001113193536 776579332 /nfs/dbraw/zinc/57/93/32/776579332.db2.gz LZHSWSAVLMBHLL-NSHDSACASA-N 1 2 287.360 -1.349 20 0 CAADLO Cn1c(=O)[nH]cc1C(=O)N1CC[NH+](CCOCCO)CC1 ZINC001113189417 776579410 /nfs/dbraw/zinc/57/94/10/776579410.db2.gz VGDLSKLHZKVHGT-UHFFFAOYSA-N 1 2 298.343 -1.108 20 0 CAADLO C[C@]1(C(=O)N2CC[NH+](CCOCCO)CC2)CNC(=O)C1 ZINC001113136631 776579505 /nfs/dbraw/zinc/57/95/05/776579505.db2.gz DSKRJANGOPAMIP-CQSZACIVSA-N 1 2 299.371 -1.334 20 0 CAADLO COC[C@@H](O)C[NH+]1CCN(C(=O)c2nnn(C)n2)CC1 ZINC001113207143 776580771 /nfs/dbraw/zinc/58/07/71/776580771.db2.gz DNEPZVJFVNJNLO-VIFPVBQESA-N 1 2 284.320 -2.025 20 0 CAADLO CC(C)COC[C@@H](O)C[NH+]1CCN(C(=O)C(N)=O)CC1 ZINC001113280084 776581832 /nfs/dbraw/zinc/58/18/32/776581832.db2.gz XCJBRQFUKDBELM-NSHDSACASA-N 1 2 287.360 -1.351 20 0 CAADLO C[C@@]1(C(=O)N2CC[NH+](CCOCCO)CC2)CCC(=O)N1 ZINC001113315319 776582714 /nfs/dbraw/zinc/58/27/14/776582714.db2.gz YKORPNOPYLYQMG-AWEZNQCLSA-N 1 2 299.371 -1.192 20 0 CAADLO Cn1cc(C(=O)N2CC[NH+](CCOCCO)CC2)[nH]c1=O ZINC001113297783 776583638 /nfs/dbraw/zinc/58/36/38/776583638.db2.gz NEBUVSJYOXCCCA-UHFFFAOYSA-N 1 2 298.343 -1.108 20 0 CAADLO C[C@@]1(C(=O)N2CC[NH+](CCOCCO)CC2)CCNC1=O ZINC001113341059 776584313 /nfs/dbraw/zinc/58/43/13/776584313.db2.gz JEKIZAFGIKKGSE-CQSZACIVSA-N 1 2 299.371 -1.334 20 0 CAADLO NC(=O)[C@@H]1C[C@@H]1C(=O)N1CC[NH+](CCOCCO)CC1 ZINC001113350971 776584498 /nfs/dbraw/zinc/58/44/98/776584498.db2.gz FXIANEORHXQCQI-MNOVXSKESA-N 1 2 285.344 -1.739 20 0 CAADLO COC[C@H](O)C[NH+]1CCN(C(=O)CCc2cn[nH]n2)CC1 ZINC001113357908 776585011 /nfs/dbraw/zinc/58/50/11/776585011.db2.gz VAHJTINBWOFMQI-GFCCVEGCSA-N 1 2 297.359 -1.111 20 0 CAADLO COC[C@H](O)C[NH+]1CCN(C(=O)CCc2c[nH]nn2)CC1 ZINC001113357908 776585021 /nfs/dbraw/zinc/58/50/21/776585021.db2.gz VAHJTINBWOFMQI-GFCCVEGCSA-N 1 2 297.359 -1.111 20 0 CAADLO Cn1ncnc1COCC(=O)N1CC[NH+](CCO)CC1 ZINC001113486062 776588038 /nfs/dbraw/zinc/58/80/38/776588038.db2.gz FADMHNJSQNCDDJ-UHFFFAOYSA-N 1 2 283.332 -1.532 20 0 CAADLO O=C(Cc1nnc[nH]1)N1CC[NH+](CCOCCO)CC1 ZINC001113518156 776588086 /nfs/dbraw/zinc/58/80/86/776588086.db2.gz BLKZMBGEKOXRAQ-UHFFFAOYSA-N 1 2 283.332 -1.500 20 0 CAADLO Cn1cnnc1COCC(=O)N1CC[NH+](CCO)CC1 ZINC001113483136 776588608 /nfs/dbraw/zinc/58/86/08/776588608.db2.gz UPNSXKRIHFCLFC-UHFFFAOYSA-N 1 2 283.332 -1.532 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2csnn2)[C@H](O)C1 ZINC001090452764 776589011 /nfs/dbraw/zinc/58/90/11/776589011.db2.gz PBVHHZRHEUKFLA-HTRCEHHLSA-N 1 2 285.329 -1.812 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)c2csnn2)[C@H](O)C1 ZINC001090452764 776589020 /nfs/dbraw/zinc/58/90/20/776589020.db2.gz PBVHHZRHEUKFLA-HTRCEHHLSA-N 1 2 285.329 -1.812 20 0 CAADLO O=C(NCC(F)(F)F)C(=O)N1CC[NH+](CCO)CC1 ZINC001113465537 776589151 /nfs/dbraw/zinc/58/91/51/776589151.db2.gz OGTSIASUQHRRNB-UHFFFAOYSA-N 1 2 283.250 -1.199 20 0 CAADLO CNS(=O)(=O)CC(=O)N1CC[NH+](CCCO)CC1 ZINC001113642983 776590164 /nfs/dbraw/zinc/59/01/64/776590164.db2.gz TWYSRITTYZXAED-UHFFFAOYSA-N 1 2 279.362 -1.938 20 0 CAADLO NC(=O)NCCC(=O)N1CC[NH+](CCOCCO)CC1 ZINC001113617922 776590467 /nfs/dbraw/zinc/59/04/67/776590467.db2.gz KNGQAPUOUMFKNC-UHFFFAOYSA-N 1 2 288.348 -1.802 20 0 CAADLO COc1nc(C(=O)N[C@@H]2CC[N@H+](CC(N)=O)C[C@@H]2O)co1 ZINC001090460156 776591718 /nfs/dbraw/zinc/59/17/18/776591718.db2.gz PDLWUYCEUPCYIQ-APPZFPTMSA-N 1 2 298.299 -1.667 20 0 CAADLO COc1nc(C(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C[C@@H]2O)co1 ZINC001090460156 776591725 /nfs/dbraw/zinc/59/17/25/776591725.db2.gz PDLWUYCEUPCYIQ-APPZFPTMSA-N 1 2 298.299 -1.667 20 0 CAADLO NC(=O)NC(=O)CN1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001113724060 776592101 /nfs/dbraw/zinc/59/21/01/776592101.db2.gz FEBAAAPNJPPYQK-UHFFFAOYSA-N 1 2 294.315 -1.778 20 0 CAADLO COc1nc(C(=O)N[C@@H]2CC[N@H+](CC(N)=O)C[C@H]2O)co1 ZINC001090460161 776592250 /nfs/dbraw/zinc/59/22/50/776592250.db2.gz PDLWUYCEUPCYIQ-VXNVDRBHSA-N 1 2 298.299 -1.667 20 0 CAADLO COc1nc(C(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C[C@H]2O)co1 ZINC001090460161 776592254 /nfs/dbraw/zinc/59/22/54/776592254.db2.gz PDLWUYCEUPCYIQ-VXNVDRBHSA-N 1 2 298.299 -1.667 20 0 CAADLO CC(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)N[C@H](C)C(=O)N(C)C)C[C@H]21 ZINC001113753155 776592570 /nfs/dbraw/zinc/59/25/70/776592570.db2.gz VXTVHLDINSYSMM-GOONRYMUSA-N 1 2 296.371 -1.354 20 0 CAADLO CC(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)N[C@H](C)C(=O)N(C)C)C[C@H]21 ZINC001113753155 776592574 /nfs/dbraw/zinc/59/25/74/776592574.db2.gz VXTVHLDINSYSMM-GOONRYMUSA-N 1 2 296.371 -1.354 20 0 CAADLO COCCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3nc(=O)n(C)[nH]3)C[C@H]21 ZINC001113762950 776593605 /nfs/dbraw/zinc/59/36/05/776593605.db2.gz ZJCYXHWTJSFTNW-GDGBQDQQSA-N 1 2 295.343 -1.309 20 0 CAADLO COCCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3nc(=O)n(C)[nH]3)C[C@H]21 ZINC001113762950 776593611 /nfs/dbraw/zinc/59/36/11/776593611.db2.gz ZJCYXHWTJSFTNW-GDGBQDQQSA-N 1 2 295.343 -1.309 20 0 CAADLO COCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3nc(=O)n(C)[nH]3)C[C@H]21 ZINC001113764696 776594196 /nfs/dbraw/zinc/59/41/96/776594196.db2.gz NRKCEQANACCBGN-VROVMSAKSA-N 1 2 281.316 -1.699 20 0 CAADLO COCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3nc(=O)n(C)[nH]3)C[C@H]21 ZINC001113764696 776594205 /nfs/dbraw/zinc/59/42/05/776594205.db2.gz NRKCEQANACCBGN-VROVMSAKSA-N 1 2 281.316 -1.699 20 0 CAADLO CC(=O)NCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cn(C)nn3)C[C@H]21 ZINC001113787852 776597491 /nfs/dbraw/zinc/59/74/91/776597491.db2.gz UFEAVJRMUQYJOQ-PJXYFTJBSA-N 1 2 292.343 -1.502 20 0 CAADLO CC(=O)NCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cn(C)nn3)C[C@H]21 ZINC001113787852 776597498 /nfs/dbraw/zinc/59/74/98/776597498.db2.gz UFEAVJRMUQYJOQ-PJXYFTJBSA-N 1 2 292.343 -1.502 20 0 CAADLO C[C@@H]1CN(C(=O)[C@@H]([NH3+])Cc2nn[nH]n2)CCCO1 ZINC001157703255 776597534 /nfs/dbraw/zinc/59/75/34/776597534.db2.gz LSGLOWOZQATRKR-SFYZADRCSA-N 1 2 254.294 -1.293 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cnco2)[C@@H](O)C1 ZINC001090463734 776598447 /nfs/dbraw/zinc/59/84/47/776598447.db2.gz PGCPITXMBVSNAB-BDAKNGLRSA-N 1 2 282.300 -1.414 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cnco2)[C@@H](O)C1 ZINC001090463734 776598452 /nfs/dbraw/zinc/59/84/52/776598452.db2.gz PGCPITXMBVSNAB-BDAKNGLRSA-N 1 2 282.300 -1.414 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cnco2)[C@@H](O)C1 ZINC001090467159 776598817 /nfs/dbraw/zinc/59/88/17/776598817.db2.gz OVCMFWLQBIPWMW-SFYZADRCSA-N 1 2 268.273 -1.675 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cnco2)[C@@H](O)C1 ZINC001090467159 776598821 /nfs/dbraw/zinc/59/88/21/776598821.db2.gz OVCMFWLQBIPWMW-SFYZADRCSA-N 1 2 268.273 -1.675 20 0 CAADLO Cc1nonc1C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CNC(N)=O ZINC001113849047 776603108 /nfs/dbraw/zinc/60/31/08/776603108.db2.gz HMWQBZCDKBGGFG-VROVMSAKSA-N 1 2 294.315 -1.407 20 0 CAADLO Cc1nonc1C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CNC(N)=O ZINC001113849047 776603114 /nfs/dbraw/zinc/60/31/14/776603114.db2.gz HMWQBZCDKBGGFG-VROVMSAKSA-N 1 2 294.315 -1.407 20 0 CAADLO COC(=O)NCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cnon3)C[C@H]21 ZINC001113945850 776605796 /nfs/dbraw/zinc/60/57/96/776605796.db2.gz XJQKOZNHPWZKKB-JZYVYDRUSA-N 1 2 295.299 -1.028 20 0 CAADLO COC(=O)NCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cnon3)C[C@H]21 ZINC001113945850 776605799 /nfs/dbraw/zinc/60/57/99/776605799.db2.gz XJQKOZNHPWZKKB-JZYVYDRUSA-N 1 2 295.299 -1.028 20 0 CAADLO Cn1ncc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CC(N)=O)n1 ZINC001114092829 776609948 /nfs/dbraw/zinc/60/99/48/776609948.db2.gz DQKZGHGPUYQAJK-GDGBQDQQSA-N 1 2 278.316 -1.763 20 0 CAADLO Cn1ncc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CC(N)=O)n1 ZINC001114092829 776609953 /nfs/dbraw/zinc/60/99/53/776609953.db2.gz DQKZGHGPUYQAJK-GDGBQDQQSA-N 1 2 278.316 -1.763 20 0 CAADLO CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1nc[nH]n1 ZINC001114116572 776613553 /nfs/dbraw/zinc/61/35/53/776613553.db2.gz HYWHMWXJOIUYDK-WOFXILAISA-N 1 2 292.343 -1.470 20 0 CAADLO CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1nc[nH]n1 ZINC001114116572 776613557 /nfs/dbraw/zinc/61/35/57/776613557.db2.gz HYWHMWXJOIUYDK-WOFXILAISA-N 1 2 292.343 -1.470 20 0 CAADLO CN(C)C(=O)O[C@H]1CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001170478777 776645233 /nfs/dbraw/zinc/64/52/33/776645233.db2.gz FRKXPOMTOKSNDZ-ZETCQYMHSA-N 1 2 258.278 -1.046 20 0 CAADLO CN(C)C(=O)O[C@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001170478777 776645237 /nfs/dbraw/zinc/64/52/37/776645237.db2.gz FRKXPOMTOKSNDZ-ZETCQYMHSA-N 1 2 258.278 -1.046 20 0 CAADLO CNC(=O)CC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cnon3)C[C@H]21 ZINC001114180986 776616342 /nfs/dbraw/zinc/61/63/42/776616342.db2.gz VENSQOYQTDJIHY-GDGBQDQQSA-N 1 2 279.300 -1.248 20 0 CAADLO CNC(=O)CC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cnon3)C[C@H]21 ZINC001114180986 776616346 /nfs/dbraw/zinc/61/63/46/776616346.db2.gz VENSQOYQTDJIHY-GDGBQDQQSA-N 1 2 279.300 -1.248 20 0 CAADLO [NH3+][C@@H](Cc1nn[nH]n1)C(=O)N1CC(=O)N(C2CC2)C(=O)C1 ZINC001157853865 776619261 /nfs/dbraw/zinc/61/92/61/776619261.db2.gz QSKUDFBOXXNSHG-ZETCQYMHSA-N 1 2 293.287 -2.571 20 0 CAADLO Cn1[nH]c(CNCCNC(=O)C[N@H+](C)C2CCC2)nc1=O ZINC001129526440 776621317 /nfs/dbraw/zinc/62/13/17/776621317.db2.gz HHFNBDDWVKGBTJ-UHFFFAOYSA-N 1 2 296.375 -1.202 20 0 CAADLO Cn1[nH]c(CNCCNC(=O)C[N@@H+](C)C2CCC2)nc1=O ZINC001129526440 776621329 /nfs/dbraw/zinc/62/13/29/776621329.db2.gz HHFNBDDWVKGBTJ-UHFFFAOYSA-N 1 2 296.375 -1.202 20 0 CAADLO Cc1nnc(C[NH2+]CCNC(=O)CN2CCOCC2=O)o1 ZINC001129551828 776622923 /nfs/dbraw/zinc/62/29/23/776622923.db2.gz XZLAKPSAAUTDCV-UHFFFAOYSA-N 1 2 297.315 -1.557 20 0 CAADLO O=C(CN1CCOCC1=O)NCC[NH2+]Cc1csnn1 ZINC001129551171 776623322 /nfs/dbraw/zinc/62/33/22/776623322.db2.gz ODBRWJFWXKLQTD-UHFFFAOYSA-N 1 2 299.356 -1.397 20 0 CAADLO Cn1c[nH+]c(CCNC(=O)CN2CCOCC2=O)c1 ZINC001129649151 776626537 /nfs/dbraw/zinc/62/65/37/776626537.db2.gz VNLJDNJVGODLBJ-UHFFFAOYSA-N 1 2 266.301 -1.062 20 0 CAADLO O=C(C[C@@H]1NC(=O)NC1=O)NCC[NH2+]Cc1ncccn1 ZINC001129743596 776627288 /nfs/dbraw/zinc/62/72/88/776627288.db2.gz RJKVIBSTCIBXBV-QMMMGPOBSA-N 1 2 292.299 -1.720 20 0 CAADLO O=C(C[C@@H]1NC(=O)NC1=O)NCC[NH2+]Cc1cnsn1 ZINC001129743192 776628010 /nfs/dbraw/zinc/62/80/10/776628010.db2.gz KHELZDPPHWXQJG-ZETCQYMHSA-N 1 2 298.328 -1.658 20 0 CAADLO O=C(C[C@@H]1NC(=O)NC1=O)NCC[NH2+]Cc1cnon1 ZINC001129750445 776628289 /nfs/dbraw/zinc/62/82/89/776628289.db2.gz NGYPEZHOTOQZHS-ZETCQYMHSA-N 1 2 282.260 -2.127 20 0 CAADLO Cc1noc(C[NH2+]CCNC(=O)c2cc(=O)n(C)cn2)n1 ZINC001129809367 776628951 /nfs/dbraw/zinc/62/89/51/776628951.db2.gz FSTNZXCWRSFUEV-UHFFFAOYSA-N 1 2 292.299 -1.009 20 0 CAADLO Cc1ncn(C)c1C(=O)NCC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001129959596 776635692 /nfs/dbraw/zinc/63/56/92/776635692.db2.gz FDPPOQSRSKPDGZ-UHFFFAOYSA-N 1 2 293.331 -1.330 20 0 CAADLO Cn1[nH]c(C[NH2+]CCNC(=O)[C@H]2CCCC(=O)N2)nc1=O ZINC001130035146 776639292 /nfs/dbraw/zinc/63/92/92/776639292.db2.gz IPQDKKVEUWPVBM-MRVPVSSYSA-N 1 2 296.331 -2.017 20 0 CAADLO [NH3+][C@@H](Cc1nn[nH]n1)C(=O)N1CC[C@H](CO)[C@H](O)C1 ZINC001157905349 776640736 /nfs/dbraw/zinc/64/07/36/776640736.db2.gz SRSCUMJWBNSPJN-GJMOJQLCSA-N 1 2 270.293 -2.729 20 0 CAADLO Cn1nnnc1C[NH2+]CCNC(=O)c1cnc[nH]c1=O ZINC001130077197 776642895 /nfs/dbraw/zinc/64/28/95/776642895.db2.gz VQKNRGUEYLFKFU-UHFFFAOYSA-N 1 2 278.276 -1.775 20 0 CAADLO Cn1[nH]c(C[NH2+]CCNC(=O)c2cnc[nH]c2=O)nc1=O ZINC001130077013 776643009 /nfs/dbraw/zinc/64/30/09/776643009.db2.gz LYONFLYFKPCIFY-UHFFFAOYSA-N 1 2 293.287 -1.876 20 0 CAADLO CC[C@H](C(=O)NCCNCc1nc(=O)n(C)[nH]1)[NH+](C)C ZINC001130197278 776645202 /nfs/dbraw/zinc/64/52/02/776645202.db2.gz GFQCYYGZGRMCHT-SECBINFHSA-N 1 2 284.364 -1.346 20 0 CAADLO Cn1[nH]c(CNCCNC(=O)[C@H]2CCCC[N@@H+]2C)nc1=O ZINC001130298212 776648809 /nfs/dbraw/zinc/64/88/09/776648809.db2.gz YIYYTSZSKCDYQK-SNVBAGLBSA-N 1 2 296.375 -1.202 20 0 CAADLO Cn1[nH]c(CNCCNC(=O)[C@H]2CCCC[N@H+]2C)nc1=O ZINC001130298212 776648815 /nfs/dbraw/zinc/64/88/15/776648815.db2.gz YIYYTSZSKCDYQK-SNVBAGLBSA-N 1 2 296.375 -1.202 20 0 CAADLO C[C@H](C(=O)NCC[NH2+]Cc1ncnn1C)S(C)(=O)=O ZINC001130323045 776649869 /nfs/dbraw/zinc/64/98/69/776649869.db2.gz FDWBLCLDKFSEFF-MRVPVSSYSA-N 1 2 289.361 -1.546 20 0 CAADLO C[C@@]1(CO)CN(C(=O)[C@@H]([NH3+])Cc2nn[nH]n2)CC[C@@H]1O ZINC001157944175 776649919 /nfs/dbraw/zinc/64/99/19/776649919.db2.gz IIPQXEBNHKFGQU-LAEOZQHASA-N 1 2 284.320 -2.339 20 0 CAADLO C[C@@]1(CO)CN(C(=O)[C@@H]([NH3+])Cc2nn[nH]n2)CC[C@H]1O ZINC001157944177 776649971 /nfs/dbraw/zinc/64/99/71/776649971.db2.gz IIPQXEBNHKFGQU-RNSXUZJQSA-N 1 2 284.320 -2.339 20 0 CAADLO C[C@H](C(=O)NCC[NH2+]Cc1cnn(C)n1)S(C)(=O)=O ZINC001130324137 776650473 /nfs/dbraw/zinc/65/04/73/776650473.db2.gz SARWAMJIQJXQPT-MRVPVSSYSA-N 1 2 289.361 -1.546 20 0 CAADLO C[C@]1(CO)CN(C(=O)[C@@H]([NH3+])Cc2nn[nH]n2)CC[C@H]1O ZINC001157944179 776650543 /nfs/dbraw/zinc/65/05/43/776650543.db2.gz IIPQXEBNHKFGQU-VAOFZXAKSA-N 1 2 284.320 -2.339 20 0 CAADLO Cn1ncnc1C[NH2+]CCNC(=O)CCS(C)(=O)=O ZINC001130327290 776650605 /nfs/dbraw/zinc/65/06/05/776650605.db2.gz RMZDNFIVFDXJCS-UHFFFAOYSA-N 1 2 289.361 -1.544 20 0 CAADLO C[C@@]1(CO)CCN(C(=O)[C@@H]([NH3+])Cc2nn[nH]n2)C[C@@H]1O ZINC001157948037 776656703 /nfs/dbraw/zinc/65/67/03/776656703.db2.gz YSRBXTVXNIKXIV-LAEOZQHASA-N 1 2 284.320 -2.339 20 0 CAADLO C[C@@H]1C[C@H](C(=O)NCC[NH2+]Cc2nc(=O)n(C)[nH]2)CO1 ZINC001130503451 776657954 /nfs/dbraw/zinc/65/79/54/776657954.db2.gz IGDUFXMPWUNNJB-BDAKNGLRSA-N 1 2 283.332 -1.261 20 0 CAADLO Cn1cnn(CC(=O)NCC[NH2+]Cc2nncs2)c1=O ZINC001130588448 776660996 /nfs/dbraw/zinc/66/09/96/776660996.db2.gz VLRKFRDOJNMPNG-UHFFFAOYSA-N 1 2 297.344 -1.661 20 0 CAADLO CCN1CCOC[C@@H]1C(=O)NCC[NH2+]Cc1cnon1 ZINC001130615938 776663942 /nfs/dbraw/zinc/66/39/42/776663942.db2.gz WCFPQSSWQIBBHA-LLVKDONJSA-N 1 2 283.332 -1.004 20 0 CAADLO Cn1cnnc1C[NH2+]CCNC(=O)C(=O)NCC(F)F ZINC001130650860 776664107 /nfs/dbraw/zinc/66/41/07/776664107.db2.gz PMFJQVJONDKSPS-UHFFFAOYSA-N 1 2 290.274 -1.598 20 0 CAADLO Cn1ncc(C[NH2+]CCNC(=O)C(=O)NCC(F)F)n1 ZINC001130643258 776664375 /nfs/dbraw/zinc/66/43/75/776664375.db2.gz WMAICKJKMUTXAA-UHFFFAOYSA-N 1 2 290.274 -1.598 20 0 CAADLO Cn1c(C(=O)N[C@@H]2CC[N@H+](CC(N)=O)C[C@H]2O)c[nH]c1=O ZINC001090491185 776667080 /nfs/dbraw/zinc/66/70/80/776667080.db2.gz YEYNYMINTDCTNY-VXNVDRBHSA-N 1 2 297.315 -2.224 20 0 CAADLO Cn1c(C(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C[C@H]2O)c[nH]c1=O ZINC001090491185 776667084 /nfs/dbraw/zinc/66/70/84/776667084.db2.gz YEYNYMINTDCTNY-VXNVDRBHSA-N 1 2 297.315 -2.224 20 0 CAADLO Cn1c(C(=O)N[C@H]2CC[N@H+](CC(N)=O)C[C@H]2O)c[nH]c1=O ZINC001090491184 776667672 /nfs/dbraw/zinc/66/76/72/776667672.db2.gz YEYNYMINTDCTNY-IONNQARKSA-N 1 2 297.315 -2.224 20 0 CAADLO Cn1c(C(=O)N[C@H]2CC[N@@H+](CC(N)=O)C[C@H]2O)c[nH]c1=O ZINC001090491184 776667676 /nfs/dbraw/zinc/66/76/76/776667676.db2.gz YEYNYMINTDCTNY-IONNQARKSA-N 1 2 297.315 -2.224 20 0 CAADLO CCc1n[nH]cc1C(=O)NCC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001130724250 776668775 /nfs/dbraw/zinc/66/87/75/776668775.db2.gz LKOXVBNHQVFHKG-UHFFFAOYSA-N 1 2 293.331 -1.087 20 0 CAADLO Cn1nnnc1C[NH2+]CCNC(=O)c1cn[nH]n1 ZINC001130743529 776670026 /nfs/dbraw/zinc/67/00/26/776670026.db2.gz ZHIVCZDVICOKKL-UHFFFAOYSA-N 1 2 251.254 -2.152 20 0 CAADLO Cn1ncnc1C[NH2+]CCNC(=O)c1cn[nH]n1 ZINC001130745648 776670100 /nfs/dbraw/zinc/67/01/00/776670100.db2.gz GXFQZGVYCJAUPB-UHFFFAOYSA-N 1 2 250.266 -1.547 20 0 CAADLO CCn1ncnc1C[NH2+]CCNC(=O)c1cn[nH]n1 ZINC001130745689 776670209 /nfs/dbraw/zinc/67/02/09/776670209.db2.gz IWQLAAKIKFZFCJ-UHFFFAOYSA-N 1 2 264.293 -1.064 20 0 CAADLO C[C@H]([NH2+]CCNC(=O)c1cn[nH]n1)c1nnnn1C ZINC001130745560 776670387 /nfs/dbraw/zinc/67/03/87/776670387.db2.gz CAMSSOAFRWGFCW-LURJTMIESA-N 1 2 265.281 -1.591 20 0 CAADLO Cn1ncc(C[NH2+]CCNC(=O)c2cn[nH]n2)n1 ZINC001130746064 776670802 /nfs/dbraw/zinc/67/08/02/776670802.db2.gz ZSWIMCDPZBVUOI-UHFFFAOYSA-N 1 2 250.266 -1.547 20 0 CAADLO O=C(NCC[NH2+]Cc1ncnn1CCF)c1cn[nH]n1 ZINC001130745810 776670824 /nfs/dbraw/zinc/67/08/24/776670824.db2.gz NNWXSZVIEPNHRW-UHFFFAOYSA-N 1 2 282.283 -1.115 20 0 CAADLO CC(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CC(N)=O)O2)n[nH]1 ZINC001130746599 776671047 /nfs/dbraw/zinc/67/10/47/776671047.db2.gz GTQDIWBGNPRZKN-DTWKUNHWSA-N 1 2 296.331 -1.264 20 0 CAADLO O=C(NCC[NH2+]Cc1nnc2n1CCOC2)c1cn[nH]n1 ZINC001130745943 776671426 /nfs/dbraw/zinc/67/14/26/776671426.db2.gz UGOMTMYUZAJREI-UHFFFAOYSA-N 1 2 292.303 -1.554 20 0 CAADLO O=C(NCC[NH2+]Cc1nnc2n1CCOC2)c1cnn[nH]1 ZINC001130745943 776671430 /nfs/dbraw/zinc/67/14/30/776671430.db2.gz UGOMTMYUZAJREI-UHFFFAOYSA-N 1 2 292.303 -1.554 20 0 CAADLO CCn1cc(C[NH2+]CCNC(=O)c2cn[nH]n2)nn1 ZINC001130749016 776672108 /nfs/dbraw/zinc/67/21/08/776672108.db2.gz QHLUFQHNMAVCQC-UHFFFAOYSA-N 1 2 264.293 -1.064 20 0 CAADLO CCn1cc(C[NH2+]CCNC(=O)c2cnn[nH]2)nn1 ZINC001130749016 776672117 /nfs/dbraw/zinc/67/21/17/776672117.db2.gz QHLUFQHNMAVCQC-UHFFFAOYSA-N 1 2 264.293 -1.064 20 0 CAADLO CCCn1nnnc1C[NH2+]CCNC(=O)c1cn[nH]n1 ZINC001130749165 776672154 /nfs/dbraw/zinc/67/21/54/776672154.db2.gz WGYQWXQKANLALX-UHFFFAOYSA-N 1 2 279.308 -1.279 20 0 CAADLO O=C(C[NH2+]CCNC(=O)c1cnn[nH]1)Nc1ccon1 ZINC001130752500 776672251 /nfs/dbraw/zinc/67/22/51/776672251.db2.gz ZBPBJCFIPZKVOG-UHFFFAOYSA-N 1 2 279.260 -1.249 20 0 CAADLO O=C(CN1CCCNC1=O)NCC[NH2+]Cc1cnon1 ZINC001130784424 776674419 /nfs/dbraw/zinc/67/44/19/776674419.db2.gz RLNSCXPHPBWRQL-UHFFFAOYSA-N 1 2 282.304 -1.309 20 0 CAADLO Cc1nnccc1C(=O)NCC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001130865098 776675987 /nfs/dbraw/zinc/67/59/87/776675987.db2.gz PFVBDBIQPVPJJR-UHFFFAOYSA-N 1 2 291.315 -1.274 20 0 CAADLO O=C(Cn1ccc(=O)[nH]c1=O)NCC[NH2+]Cc1cnon1 ZINC001130938471 776679158 /nfs/dbraw/zinc/67/91/58/776679158.db2.gz MPSQRNWFJVQNOQ-UHFFFAOYSA-N 1 2 294.271 -1.762 20 0 CAADLO O=C(CCN1C(=O)CCC1=O)NCC[NH2+]Cc1cnon1 ZINC001130994843 776680011 /nfs/dbraw/zinc/68/00/11/776680011.db2.gz PLPLWAREWCNLHU-UHFFFAOYSA-N 1 2 295.299 -1.186 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2nnn(C)n2)[C@H](O)C1 ZINC001090497086 776680185 /nfs/dbraw/zinc/68/01/85/776680185.db2.gz UWUMFDDLDBBSIM-HTQZYQBOSA-N 1 2 297.319 -2.879 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2nnn(C)n2)[C@H](O)C1 ZINC001090497086 776680190 /nfs/dbraw/zinc/68/01/90/776680190.db2.gz UWUMFDDLDBBSIM-HTQZYQBOSA-N 1 2 297.319 -2.879 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2nnn(C)n2)[C@H](O)C1 ZINC001090497087 776680439 /nfs/dbraw/zinc/68/04/39/776680439.db2.gz UWUMFDDLDBBSIM-JGVFFNPUSA-N 1 2 297.319 -2.879 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)c2nnn(C)n2)[C@H](O)C1 ZINC001090497087 776680443 /nfs/dbraw/zinc/68/04/43/776680443.db2.gz UWUMFDDLDBBSIM-JGVFFNPUSA-N 1 2 297.319 -2.879 20 0 CAADLO O=C(NCC[NH2+]Cc1cnon1)[C@@H]1CCS(=O)(=O)C1 ZINC001130998011 776681721 /nfs/dbraw/zinc/68/17/21/776681721.db2.gz HPDWHEDEHLKTFM-MRVPVSSYSA-N 1 2 288.329 -1.290 20 0 CAADLO Cn1nnc(C(=O)N[C@H]2CC[N@H+](CCF)C[C@H]2O)n1 ZINC001090498339 776686724 /nfs/dbraw/zinc/68/67/24/776686724.db2.gz ZXPVXQNVYHSCBZ-JGVFFNPUSA-N 1 2 272.284 -1.655 20 0 CAADLO Cn1nnc(C(=O)N[C@H]2CC[N@@H+](CCF)C[C@H]2O)n1 ZINC001090498339 776686728 /nfs/dbraw/zinc/68/67/28/776686728.db2.gz ZXPVXQNVYHSCBZ-JGVFFNPUSA-N 1 2 272.284 -1.655 20 0 CAADLO COC(=O)[C@@H]1C[C@@H](Nc2ccc(C(N)=O)nn2)C[NH2+]1 ZINC001158254052 776686948 /nfs/dbraw/zinc/68/69/48/776686948.db2.gz KTNMUZVWYQQMRW-SVRRBLITSA-N 1 2 265.273 -1.109 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)[C@@H](O)C1 ZINC001090498870 776688327 /nfs/dbraw/zinc/68/83/27/776688327.db2.gz DWDVSNARGRQPNB-ULHKAFAUSA-N 1 2 283.328 -2.085 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)[C@@H](O)C1 ZINC001090498870 776688331 /nfs/dbraw/zinc/68/83/31/776688331.db2.gz DWDVSNARGRQPNB-ULHKAFAUSA-N 1 2 283.328 -2.085 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)[C@H](O)C1 ZINC001090498683 776688484 /nfs/dbraw/zinc/68/84/84/776688484.db2.gz DQQWWPAKBKBXFE-TUTUZKQUSA-N 1 2 297.355 -1.824 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)[C@H](O)C1 ZINC001090498683 776688487 /nfs/dbraw/zinc/68/84/87/776688487.db2.gz DQQWWPAKBKBXFE-TUTUZKQUSA-N 1 2 297.355 -1.824 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)[C@@H](O)C1 ZINC001090498872 776688534 /nfs/dbraw/zinc/68/85/34/776688534.db2.gz DWDVSNARGRQPNB-YXZBHFDYSA-N 1 2 283.328 -2.085 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)[C@@H](O)C1 ZINC001090498872 776688537 /nfs/dbraw/zinc/68/85/37/776688537.db2.gz DWDVSNARGRQPNB-YXZBHFDYSA-N 1 2 283.328 -2.085 20 0 CAADLO COCCC(=O)N1CCC(=O)NCC[N@@H+](CCO)CC1 ZINC001131318763 776689894 /nfs/dbraw/zinc/68/98/94/776689894.db2.gz PAECEMCUCCDUNC-UHFFFAOYSA-N 1 2 287.360 -1.334 20 0 CAADLO COCCC(=O)N1CCC(=O)NCC[N@H+](CCO)CC1 ZINC001131318763 776689896 /nfs/dbraw/zinc/68/98/96/776689896.db2.gz PAECEMCUCCDUNC-UHFFFAOYSA-N 1 2 287.360 -1.334 20 0 CAADLO Cc1cnn(C)c1C(=O)N[C@@H]1CC[N@H+](CC(N)=O)C[C@H]1O ZINC001090500395 776691977 /nfs/dbraw/zinc/69/19/77/776691977.db2.gz OBRHKTULHNLFKE-NXEZZACHSA-N 1 2 295.343 -1.621 20 0 CAADLO Cc1cnn(C)c1C(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C[C@H]1O ZINC001090500395 776691985 /nfs/dbraw/zinc/69/19/85/776691985.db2.gz OBRHKTULHNLFKE-NXEZZACHSA-N 1 2 295.343 -1.621 20 0 CAADLO Cc1cnn(C)c1C(=O)N[C@H]1CC[N@H+](CC(N)=O)C[C@H]1O ZINC001090500398 776692064 /nfs/dbraw/zinc/69/20/64/776692064.db2.gz OBRHKTULHNLFKE-VHSXEESVSA-N 1 2 295.343 -1.621 20 0 CAADLO Cc1cnn(C)c1C(=O)N[C@H]1CC[N@@H+](CC(N)=O)C[C@H]1O ZINC001090500398 776692070 /nfs/dbraw/zinc/69/20/70/776692070.db2.gz OBRHKTULHNLFKE-VHSXEESVSA-N 1 2 295.343 -1.621 20 0 CAADLO C[C@H]1CO[C@@H](C(=O)NCC[NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001131527492 776692928 /nfs/dbraw/zinc/69/29/28/776692928.db2.gz VFDAKZINWXSHAW-RKDXNWHRSA-N 1 2 283.332 -1.261 20 0 CAADLO C[C@@H]1CO[C@H](C(=O)NCC[NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001131527491 776693825 /nfs/dbraw/zinc/69/38/25/776693825.db2.gz VFDAKZINWXSHAW-IUCAKERBSA-N 1 2 283.332 -1.261 20 0 CAADLO Cc1nonc1C[NH2+]CCNC(=O)c1cn(C)c(=O)cn1 ZINC001131536457 776694011 /nfs/dbraw/zinc/69/40/11/776694011.db2.gz KAQGNWNSABBROQ-UHFFFAOYSA-N 1 2 292.299 -1.009 20 0 CAADLO Cn1cc[nH+]c1CCC(=O)NCCNCc1nnn(C)n1 ZINC001131639269 776697459 /nfs/dbraw/zinc/69/74/59/776697459.db2.gz FLYVAOPGAMQGFJ-UHFFFAOYSA-N 1 2 292.347 -1.218 20 0 CAADLO COCC(=O)N[C@@H]1CC[C@@H](C)[N@H+](CC(=O)NC(N)=O)C1 ZINC001131726736 776700164 /nfs/dbraw/zinc/70/01/64/776700164.db2.gz UWTSBTNIOJRKJJ-RKDXNWHRSA-N 1 2 286.332 -1.203 20 0 CAADLO COCC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](CC(=O)NC(N)=O)C1 ZINC001131726736 776700170 /nfs/dbraw/zinc/70/01/70/776700170.db2.gz UWTSBTNIOJRKJJ-RKDXNWHRSA-N 1 2 286.332 -1.203 20 0 CAADLO Cn1[nH]c(C[NH2+]CCNC(=O)[C@@]2(C)CNC(=O)C2)nc1=O ZINC001131677180 776700625 /nfs/dbraw/zinc/70/06/25/776700625.db2.gz PVMLWDGDNBDSIF-GFCCVEGCSA-N 1 2 296.331 -2.160 20 0 CAADLO COCC(=O)N[C@H]1CC[C@@H](C)[N@H+](CC(=O)NC(N)=O)C1 ZINC001131726733 776700642 /nfs/dbraw/zinc/70/06/42/776700642.db2.gz UWTSBTNIOJRKJJ-BDAKNGLRSA-N 1 2 286.332 -1.203 20 0 CAADLO COCC(=O)N[C@H]1CC[C@@H](C)[N@@H+](CC(=O)NC(N)=O)C1 ZINC001131726733 776700647 /nfs/dbraw/zinc/70/06/47/776700647.db2.gz UWTSBTNIOJRKJJ-BDAKNGLRSA-N 1 2 286.332 -1.203 20 0 CAADLO C[C@]1(C(=O)NCC[NH2+]Cc2cnon2)CNC(=O)C1 ZINC001131689981 776700818 /nfs/dbraw/zinc/70/08/18/776700818.db2.gz OGEQHQYYRMAWJB-LLVKDONJSA-N 1 2 267.289 -1.198 20 0 CAADLO COCC(=O)N[C@H]1CC[C@H](C)[N@H+](CC(=O)NC(N)=O)C1 ZINC001131726735 776700887 /nfs/dbraw/zinc/70/08/87/776700887.db2.gz UWTSBTNIOJRKJJ-IUCAKERBSA-N 1 2 286.332 -1.203 20 0 CAADLO COCC(=O)N[C@H]1CC[C@H](C)[N@@H+](CC(=O)NC(N)=O)C1 ZINC001131726735 776700892 /nfs/dbraw/zinc/70/08/92/776700892.db2.gz UWTSBTNIOJRKJJ-IUCAKERBSA-N 1 2 286.332 -1.203 20 0 CAADLO C[C@@H]1CC[C@@H](NC(=O)C(C)(C)C(N)=O)C[N@@H+]1CC(N)=O ZINC001132119458 776714085 /nfs/dbraw/zinc/71/40/85/776714085.db2.gz CBUMIQZRDHCSQM-RKDXNWHRSA-N 1 2 284.360 -1.048 20 0 CAADLO C[C@@H]1CC[C@@H](NC(=O)C(C)(C)C(N)=O)C[N@H+]1CC(N)=O ZINC001132119458 776714091 /nfs/dbraw/zinc/71/40/91/776714091.db2.gz CBUMIQZRDHCSQM-RKDXNWHRSA-N 1 2 284.360 -1.048 20 0 CAADLO Cc1n[nH]cc1C(=O)NCC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001132139126 776715952 /nfs/dbraw/zinc/71/59/52/776715952.db2.gz UHANELLLWKCVQQ-UHFFFAOYSA-N 1 2 279.304 -1.340 20 0 CAADLO CC(C)NC(=O)C[N@@H+]1C[C@H](NC(=O)C(N)=O)CC[C@H]1C ZINC001132252348 776716942 /nfs/dbraw/zinc/71/69/42/776716942.db2.gz DCJXTMALTYWVMF-NXEZZACHSA-N 1 2 284.360 -1.035 20 0 CAADLO CC(C)NC(=O)C[N@H+]1C[C@H](NC(=O)C(N)=O)CC[C@H]1C ZINC001132252348 776716950 /nfs/dbraw/zinc/71/69/50/776716950.db2.gz DCJXTMALTYWVMF-NXEZZACHSA-N 1 2 284.360 -1.035 20 0 CAADLO CCCNC(=O)C[N@@H+]1C[C@H](NC(=O)C(N)=O)CC[C@H]1C ZINC001132253084 776717130 /nfs/dbraw/zinc/71/71/30/776717130.db2.gz OIZCZQNNGWJZTE-NXEZZACHSA-N 1 2 284.360 -1.033 20 0 CAADLO CCCNC(=O)C[N@H+]1C[C@H](NC(=O)C(N)=O)CC[C@H]1C ZINC001132253084 776717138 /nfs/dbraw/zinc/71/71/38/776717138.db2.gz OIZCZQNNGWJZTE-NXEZZACHSA-N 1 2 284.360 -1.033 20 0 CAADLO CCN(C)C(=O)C[N@@H+]1C[C@@H](NC(=O)C(N)=O)CC[C@@H]1C ZINC001132252425 776717231 /nfs/dbraw/zinc/71/72/31/776717231.db2.gz FDJGOZFGZQBEBR-UWVGGRQHSA-N 1 2 284.360 -1.081 20 0 CAADLO CCN(C)C(=O)C[N@H+]1C[C@@H](NC(=O)C(N)=O)CC[C@@H]1C ZINC001132252425 776717241 /nfs/dbraw/zinc/71/72/41/776717241.db2.gz FDJGOZFGZQBEBR-UWVGGRQHSA-N 1 2 284.360 -1.081 20 0 CAADLO CC(C)NC(=O)C[N@@H+]1C[C@@H](NC(=O)C(N)=O)CC[C@H]1C ZINC001132252351 776717307 /nfs/dbraw/zinc/71/73/07/776717307.db2.gz DCJXTMALTYWVMF-ZJUUUORDSA-N 1 2 284.360 -1.035 20 0 CAADLO CC(C)NC(=O)C[N@H+]1C[C@@H](NC(=O)C(N)=O)CC[C@H]1C ZINC001132252351 776717314 /nfs/dbraw/zinc/71/73/14/776717314.db2.gz DCJXTMALTYWVMF-ZJUUUORDSA-N 1 2 284.360 -1.035 20 0 CAADLO CCCNC(=O)C[N@@H+]1C[C@@H](NC(=O)C(N)=O)CC[C@@H]1C ZINC001132253085 776717406 /nfs/dbraw/zinc/71/74/06/776717406.db2.gz OIZCZQNNGWJZTE-UWVGGRQHSA-N 1 2 284.360 -1.033 20 0 CAADLO CCCNC(=O)C[N@H+]1C[C@@H](NC(=O)C(N)=O)CC[C@@H]1C ZINC001132253085 776717415 /nfs/dbraw/zinc/71/74/15/776717415.db2.gz OIZCZQNNGWJZTE-UWVGGRQHSA-N 1 2 284.360 -1.033 20 0 CAADLO C[C@@H]1CC[C@H](NC(=O)C(N)=O)C[N@@H+]1CC(=O)NC(N)=O ZINC001132253231 776717511 /nfs/dbraw/zinc/71/75/11/776717511.db2.gz QHNLTPPBLUCMOZ-RQJHMYQMSA-N 1 2 285.304 -2.364 20 0 CAADLO C[C@@H]1CC[C@H](NC(=O)C(N)=O)C[N@H+]1CC(=O)NC(N)=O ZINC001132253231 776717515 /nfs/dbraw/zinc/71/75/15/776717515.db2.gz QHNLTPPBLUCMOZ-RQJHMYQMSA-N 1 2 285.304 -2.364 20 0 CAADLO CCN(C)C(=O)C[N@@H+]1C[C@@H](NC(=O)C(N)=O)CC[C@H]1C ZINC001132252427 776717779 /nfs/dbraw/zinc/71/77/79/776717779.db2.gz FDJGOZFGZQBEBR-ZJUUUORDSA-N 1 2 284.360 -1.081 20 0 CAADLO CCN(C)C(=O)C[N@H+]1C[C@@H](NC(=O)C(N)=O)CC[C@H]1C ZINC001132252427 776717782 /nfs/dbraw/zinc/71/77/82/776717782.db2.gz FDJGOZFGZQBEBR-ZJUUUORDSA-N 1 2 284.360 -1.081 20 0 CAADLO CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)C(N)=O)CC[C@H]1C ZINC001132253780 776718812 /nfs/dbraw/zinc/71/88/12/776718812.db2.gz ZJUCJAOBCUHIOX-BDAKNGLRSA-N 1 2 270.333 -1.423 20 0 CAADLO CCNC(=O)C[N@H+]1C[C@@H](NC(=O)C(N)=O)CC[C@H]1C ZINC001132253780 776718820 /nfs/dbraw/zinc/71/88/20/776718820.db2.gz ZJUCJAOBCUHIOX-BDAKNGLRSA-N 1 2 270.333 -1.423 20 0 CAADLO C[C@H]1CC[C@@H](NC(=O)C2(C(N)=O)CC2)C[N@@H+]1CC(N)=O ZINC001132261908 776719869 /nfs/dbraw/zinc/71/98/69/776719869.db2.gz PTBCACBXEMXTEP-DTWKUNHWSA-N 1 2 282.344 -1.294 20 0 CAADLO C[C@H]1CC[C@@H](NC(=O)C2(C(N)=O)CC2)C[N@H+]1CC(N)=O ZINC001132261908 776719875 /nfs/dbraw/zinc/71/98/75/776719875.db2.gz PTBCACBXEMXTEP-DTWKUNHWSA-N 1 2 282.344 -1.294 20 0 CAADLO Cc1nnc(C[NH2+]CCNC(=O)CN2CCNC(=O)C2)o1 ZINC001132317753 776721523 /nfs/dbraw/zinc/72/15/23/776721523.db2.gz MABSPOVXRMJVJS-UHFFFAOYSA-N 1 2 296.331 -1.984 20 0 CAADLO O=C(CN1CCNC(=O)C1)NCC[NH2+]Cc1ncccn1 ZINC001132318402 776721664 /nfs/dbraw/zinc/72/16/64/776721664.db2.gz YMQZNRAWYHVBHP-UHFFFAOYSA-N 1 2 292.343 -1.886 20 0 CAADLO Cn1[nH]c(C[NH2+]CCNC(=O)[C@@H]2CC[C@H]2C(N)=O)nc1=O ZINC001132337270 776722411 /nfs/dbraw/zinc/72/24/11/776722411.db2.gz IMGNYJQUVGOTKX-HTQZYQBOSA-N 1 2 296.331 -2.174 20 0 CAADLO C[C@@H](CC(N)=O)C(=O)NCC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001132349409 776727401 /nfs/dbraw/zinc/72/74/01/776727401.db2.gz FAYGMCDXXNELLB-ZETCQYMHSA-N 1 2 284.320 -2.174 20 0 CAADLO COCc1noc(C[NH2+]CCNC(=O)[C@@H]2CCNC2=O)n1 ZINC001132355515 776727543 /nfs/dbraw/zinc/72/75/43/776727543.db2.gz BOWODBRUKJXPOK-MRVPVSSYSA-N 1 2 297.315 -1.442 20 0 CAADLO NC(=O)[C@@H]1CC[C@H]1C(=O)NCC[NH2+]Cc1cnon1 ZINC001132363824 776727561 /nfs/dbraw/zinc/72/75/61/776727561.db2.gz ZGFODTMSVVVUND-RKDXNWHRSA-N 1 2 267.289 -1.213 20 0 CAADLO CNC(=O)C1(C(=O)N[C@H]2CC[C@@H](C)[N@H+](CC(N)=O)C2)CC1 ZINC001132348713 776727642 /nfs/dbraw/zinc/72/76/42/776727642.db2.gz QYZGTCIZUUNMQU-ZJUUUORDSA-N 1 2 296.371 -1.033 20 0 CAADLO CNC(=O)C1(C(=O)N[C@H]2CC[C@@H](C)[N@@H+](CC(N)=O)C2)CC1 ZINC001132348713 776727646 /nfs/dbraw/zinc/72/76/46/776727646.db2.gz QYZGTCIZUUNMQU-ZJUUUORDSA-N 1 2 296.371 -1.033 20 0 CAADLO NC(=O)[C@@H]1CC[C@@H]1C(=O)NCC[NH2+]Cc1cnon1 ZINC001132363821 776728243 /nfs/dbraw/zinc/72/82/43/776728243.db2.gz ZGFODTMSVVVUND-BDAKNGLRSA-N 1 2 267.289 -1.213 20 0 CAADLO Cn1[nH]c(C[NH2+]CCNC(=O)c2c[nH]c(=O)n2C)nc1=O ZINC001132367459 776728359 /nfs/dbraw/zinc/72/83/59/776728359.db2.gz VKUIPEMPXVPNHD-UHFFFAOYSA-N 1 2 295.303 -1.933 20 0 CAADLO CN(C)c1noc(C[NH2+]CCNC(=O)[C@H]2CCNC2=O)n1 ZINC001132356051 776728864 /nfs/dbraw/zinc/72/88/64/776728864.db2.gz PWWATAHTVLVTAX-QMMMGPOBSA-N 1 2 296.331 -1.523 20 0 CAADLO O=C(NCC[NH2+]Cc1cnon1)[C@H]1CCNC1=O ZINC001132358224 776729245 /nfs/dbraw/zinc/72/92/45/776729245.db2.gz BFOYVBSAMHEXIF-QMMMGPOBSA-N 1 2 253.262 -1.589 20 0 CAADLO Cc1noc(C[NH2+]CCNC(=O)[C@H]2CCNC2=O)n1 ZINC001132356036 776729453 /nfs/dbraw/zinc/72/94/53/776729453.db2.gz PHQPEZUSYIRWMF-QMMMGPOBSA-N 1 2 267.289 -1.280 20 0 CAADLO O=C(NCC[NH2+]Cc1csnn1)[C@@H]1CCNC1=O ZINC001132358257 776729895 /nfs/dbraw/zinc/72/98/95/776729895.db2.gz CAPYGLPICAHSLY-MRVPVSSYSA-N 1 2 269.330 -1.120 20 0 CAADLO O=C(NCC[NH2+]Cc1ncccn1)[C@@H]1CCNC1=O ZINC001132358265 776730039 /nfs/dbraw/zinc/73/00/39/776730039.db2.gz CIZRWJMBVHXJPA-SECBINFHSA-N 1 2 263.301 -1.182 20 0 CAADLO Cn1[nH]c(C[NH2+]CCNC(=O)[C@H]2CCNC2=O)nc1=O ZINC001132356477 776730103 /nfs/dbraw/zinc/73/01/03/776730103.db2.gz XKSGSHGDASPWQG-ZETCQYMHSA-N 1 2 282.304 -2.550 20 0 CAADLO Cc1nnc(C[NH2+]CCNC(=O)[C@@H]2CCNC2=O)o1 ZINC001132359134 776731609 /nfs/dbraw/zinc/73/16/09/776731609.db2.gz MQFAZGKBYNNZSN-MRVPVSSYSA-N 1 2 267.289 -1.280 20 0 CAADLO CCc1nnc(C[NH2+]CCNC(=O)[C@H]2CCNC2=O)o1 ZINC001132359400 776731863 /nfs/dbraw/zinc/73/18/63/776731863.db2.gz OWCNVGGXKJRFTC-QMMMGPOBSA-N 1 2 281.316 -1.026 20 0 CAADLO CCc1nnc(C[NH2+]CCNC(=O)[C@H]2CN(C)C(=O)N2)o1 ZINC001132386955 776732648 /nfs/dbraw/zinc/73/26/48/776732648.db2.gz MUWGHCWAGAYAMK-MRVPVSSYSA-N 1 2 296.331 -1.139 20 0 CAADLO CN1C[C@H](C(=O)NCC[NH2+]Cc2nncs2)NC1=O ZINC001132386497 776732686 /nfs/dbraw/zinc/73/26/86/776732686.db2.gz ISEWXOUBOSMRRY-SSDOTTSWSA-N 1 2 284.345 -1.233 20 0 CAADLO O=C(NCC[NH2+]Cc1nncs1)[C@@H]1CCNC1=O ZINC001132375848 776734186 /nfs/dbraw/zinc/73/41/86/776734186.db2.gz KKGODNMHPKPHSE-SSDOTTSWSA-N 1 2 269.330 -1.120 20 0 CAADLO CCc1noc(C[NH2+]CCNC(=O)[C@H]2CN(C)C(=O)N2)n1 ZINC001132387656 776734625 /nfs/dbraw/zinc/73/46/25/776734625.db2.gz XKSCWMPDDSAFLA-MRVPVSSYSA-N 1 2 296.331 -1.139 20 0 CAADLO CCc1noc(C[NH2+]CCNC(=O)[C@@H]2CCNC2=O)n1 ZINC001132376051 776734640 /nfs/dbraw/zinc/73/46/40/776734640.db2.gz MNGXDUPCWBAOPG-MRVPVSSYSA-N 1 2 281.316 -1.026 20 0 CAADLO Cc1noc(C[NH2+]CCNC(=O)[C@H]2CN(C)C(=O)N2)n1 ZINC001132381993 776735770 /nfs/dbraw/zinc/73/57/70/776735770.db2.gz AHAFYIBKKARGFJ-MRVPVSSYSA-N 1 2 282.304 -1.393 20 0 CAADLO Cc1nonc1C[NH2+]CCNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001132383123 776737777 /nfs/dbraw/zinc/73/77/77/776737777.db2.gz YHVTXANMGNZCMX-SECBINFHSA-N 1 2 282.304 -1.393 20 0 CAADLO CN1C[C@H](C(=O)NCC[NH2+]Cc2csnn2)NC1=O ZINC001132383104 776738473 /nfs/dbraw/zinc/73/84/73/776738473.db2.gz XYYSHUGIZJQDEK-MRVPVSSYSA-N 1 2 284.345 -1.233 20 0 CAADLO Cn1nnc(C(=O)NCC[NH2+]Cc2nnc(C3CC3)o2)n1 ZINC001132523461 776739552 /nfs/dbraw/zinc/73/95/52/776739552.db2.gz KGFQKFJHNIPOLV-UHFFFAOYSA-N 1 2 292.303 -1.010 20 0 CAADLO Cc1ccnc(C[NH2+]CCNC(=O)c2nnn(C)n2)n1 ZINC001132523518 776739821 /nfs/dbraw/zinc/73/98/21/776739821.db2.gz MHRXEZXGTDIFOL-UHFFFAOYSA-N 1 2 276.304 -1.172 20 0 CAADLO Cn1nnc(C(=O)NCC[NH2+]Cc2ncccn2)n1 ZINC001132523478 776740321 /nfs/dbraw/zinc/74/03/21/776740321.db2.gz LCQUHBJMQINYID-UHFFFAOYSA-N 1 2 262.277 -1.480 20 0 CAADLO Cc1nnc(C[NH2+]CCNC(=O)c2nnn(C)n2)o1 ZINC001132523480 776740735 /nfs/dbraw/zinc/74/07/35/776740735.db2.gz LEVRHNQAMPSJKH-UHFFFAOYSA-N 1 2 266.265 -1.579 20 0 CAADLO Cc1nnc([C@@H](C)[NH2+]CCNC(=O)c2nnn(C)n2)o1 ZINC001132527152 776741422 /nfs/dbraw/zinc/74/14/22/776741422.db2.gz NOCMRWXMRBQZHW-ZCFIWIBFSA-N 1 2 280.292 -1.018 20 0 CAADLO Cc1noc(C[NH2+]CCNC(=O)c2nnn(C)n2)n1 ZINC001132523288 776742942 /nfs/dbraw/zinc/74/29/42/776742942.db2.gz ASMBHEWUOCMYLZ-UHFFFAOYSA-N 1 2 266.265 -1.579 20 0 CAADLO Cc1nc[nH]c(=O)c1C(=O)NCC[NH2+]Cc1nnnn1C ZINC001132702782 776747457 /nfs/dbraw/zinc/74/74/57/776747457.db2.gz CWLSJZVRUHCDCE-UHFFFAOYSA-N 1 2 292.303 -1.466 20 0 CAADLO CN1C(=O)CC[C@@H]1C(=O)NCC[NH2+]Cc1cnon1 ZINC001132764341 776751287 /nfs/dbraw/zinc/75/12/87/776751287.db2.gz QDZYGZBNTDTREH-SECBINFHSA-N 1 2 267.289 -1.104 20 0 CAADLO Cn1[nH]c(C[NH2+]CCNC(=O)[C@@]2(F)CCOC2)nc1=O ZINC001132867936 776753268 /nfs/dbraw/zinc/75/32/68/776753268.db2.gz RYUWZMKXFFPOOH-LLVKDONJSA-N 1 2 287.295 -1.557 20 0 CAADLO Cn1[nH]c(C[NH2+]CCNC(=O)[C@]2(F)CCOC2)nc1=O ZINC001132867937 776754547 /nfs/dbraw/zinc/75/45/47/776754547.db2.gz RYUWZMKXFFPOOH-NSHDSACASA-N 1 2 287.295 -1.557 20 0 CAADLO Cc1nonc1C[NH2+]CCNC(=O)c1c[nH]c(=O)cn1 ZINC001133013374 776757938 /nfs/dbraw/zinc/75/79/38/776757938.db2.gz FVJJFHAKBIXHGQ-UHFFFAOYSA-N 1 2 278.272 -1.019 20 0 CAADLO CCCc1noc(C[NH2+]CCNC(=O)[C@H]2CNC(=O)N2)n1 ZINC001133111817 776758953 /nfs/dbraw/zinc/75/89/53/776758953.db2.gz PARFMZFBHAIRJJ-MRVPVSSYSA-N 1 2 296.331 -1.091 20 0 CAADLO CCCc1noc(C[NH2+]CCNC(=O)[C@@H]2CNC(=O)N2)n1 ZINC001133111818 776759122 /nfs/dbraw/zinc/75/91/22/776759122.db2.gz PARFMZFBHAIRJJ-QMMMGPOBSA-N 1 2 296.331 -1.091 20 0 CAADLO O=C(NCC[NH2+]Cc1cnsn1)[C@@H]1CNC(=O)N1 ZINC001133111864 776759364 /nfs/dbraw/zinc/75/93/64/776759364.db2.gz QOJYCFKLQJTGBO-ZETCQYMHSA-N 1 2 270.318 -1.575 20 0 CAADLO O=C(NCC[NH2+]Cc1nncs1)[C@H]1CNC(=O)N1 ZINC001133115063 776760228 /nfs/dbraw/zinc/76/02/28/776760228.db2.gz DXZMVQCFADVQJF-ZCFIWIBFSA-N 1 2 270.318 -1.575 20 0 CAADLO Cc1nnc([C@H](C)[NH2+]CCNC(=O)[C@H]2CNC(=O)N2)o1 ZINC001133115535 776761756 /nfs/dbraw/zinc/76/17/56/776761756.db2.gz PDLMLDUEBNPMDC-POYBYMJQSA-N 1 2 282.304 -1.174 20 0 CAADLO Cc1nnc([C@H](C)[NH2+]CCNC(=O)[C@@H]2CNC(=O)N2)o1 ZINC001133115537 776761900 /nfs/dbraw/zinc/76/19/00/776761900.db2.gz PDLMLDUEBNPMDC-XPUUQOCRSA-N 1 2 282.304 -1.174 20 0 CAADLO O=C(NCC[NH2+]Cc1cnon1)[C@H]1CNC(=O)N1 ZINC001133115244 776761912 /nfs/dbraw/zinc/76/19/12/776761912.db2.gz IRMXVPRUANCSIQ-SSDOTTSWSA-N 1 2 254.250 -2.043 20 0 CAADLO Cc1nnc([C@@H](C)[NH2+]CCNC(=O)[C@@H]2CNC(=O)N2)o1 ZINC001133115536 776761949 /nfs/dbraw/zinc/76/19/49/776761949.db2.gz PDLMLDUEBNPMDC-SVRRBLITSA-N 1 2 282.304 -1.174 20 0 CAADLO Cc1noc([C@@H](C)[NH2+]CCNC(=O)[C@H]2CNC(=O)N2)n1 ZINC001133121731 776762753 /nfs/dbraw/zinc/76/27/53/776762753.db2.gz MEEGRZORTIRKBR-HTRCEHHLSA-N 1 2 282.304 -1.174 20 0 CAADLO C[C@@H]([NH2+]CCNC(=O)[C@H]1CNC(=O)N1)c1csnn1 ZINC001133116412 776763212 /nfs/dbraw/zinc/76/32/12/776763212.db2.gz ZNZRELKLPPBEHU-RNFRBKRXSA-N 1 2 284.345 -1.014 20 0 CAADLO C[C@@H]([NH2+]CCNC(=O)[C@@H]1CNC(=O)N1)c1csnn1 ZINC001133116413 776763268 /nfs/dbraw/zinc/76/32/68/776763268.db2.gz ZNZRELKLPPBEHU-RQJHMYQMSA-N 1 2 284.345 -1.014 20 0 CAADLO Cc1noc(C[NH2+]CCNC(=O)[C@@H]2CNC(=O)N2)n1 ZINC001133128510 776764500 /nfs/dbraw/zinc/76/45/00/776764500.db2.gz GBHHJZLFFCGUDC-ZETCQYMHSA-N 1 2 268.277 -1.735 20 0 CAADLO O=C(NCC[NH2+]Cc1nnc(C2CC2)o1)[C@H]1CNC(=O)N1 ZINC001133128832 776764733 /nfs/dbraw/zinc/76/47/33/776764733.db2.gz OOWIWBOAIFNTCX-MRVPVSSYSA-N 1 2 294.315 -1.166 20 0 CAADLO O=C(NCC[NH2+]Cc1ncccn1)[C@@H]1CNC(=O)N1 ZINC001133129461 776766138 /nfs/dbraw/zinc/76/61/38/776766138.db2.gz ZDXVYIZYFUWOPQ-QMMMGPOBSA-N 1 2 264.289 -1.636 20 0 CAADLO NC(=O)C(=O)NCC[NH2+]Cc1cn(-c2ccccc2)nn1 ZINC001133198059 776771450 /nfs/dbraw/zinc/77/14/50/776771450.db2.gz IWEJMBZNRZXAEB-UHFFFAOYSA-N 1 2 288.311 -1.042 20 0 CAADLO CCCCn1nnnc1C[NH2+]CCNC(=O)C(N)=O ZINC001133198041 776771649 /nfs/dbraw/zinc/77/16/49/776771649.db2.gz HWVOICQSCGSLCQ-UHFFFAOYSA-N 1 2 269.309 -1.836 20 0 CAADLO NC(=O)C(=O)NCC[NH2+]Cc1nnc2n1CCCC2 ZINC001133206444 776772223 /nfs/dbraw/zinc/77/22/23/776772223.db2.gz RBNQARXRYXDDMQ-UHFFFAOYSA-N 1 2 266.305 -1.695 20 0 CAADLO NC(=O)C(=O)NCC[NH2+]Cc1cnn(-c2ccccc2)n1 ZINC001133203547 776772284 /nfs/dbraw/zinc/77/22/84/776772284.db2.gz MEMLFGRZSHQHDP-UHFFFAOYSA-N 1 2 288.311 -1.042 20 0 CAADLO CCn1c(C)nnc1C[NH2+]CCNC(=O)C(N)=O ZINC001133206077 776772895 /nfs/dbraw/zinc/77/28/95/776772895.db2.gz FRURSLRJKNRSEN-UHFFFAOYSA-N 1 2 254.294 -1.702 20 0 CAADLO CCc1nnc(C[NH2+]CCNC(=O)C(N)=O)n1C ZINC001133206450 776772980 /nfs/dbraw/zinc/77/29/80/776772980.db2.gz RCVVUECXBKBEHF-UHFFFAOYSA-N 1 2 254.294 -1.931 20 0 CAADLO COC[C@H](OC)C(=O)NCC[NH2+]Cc1cnon1 ZINC001133517744 776781210 /nfs/dbraw/zinc/78/12/10/776781210.db2.gz RSLNJHQGIMVYAW-VIFPVBQESA-N 1 2 258.278 -1.063 20 0 CAADLO CO[C@@H](C(=O)NCC[NH2+]Cc1nc(=O)n(C)[nH]1)C(C)C ZINC001133341692 776776144 /nfs/dbraw/zinc/77/61/44/776776144.db2.gz CHJWFDBJFKNLHE-SNVBAGLBSA-N 1 2 285.348 -1.015 20 0 CAADLO Cn1[nH]c(C[NH2+]CCNC(=O)[C@]2(C)CCC(=O)N2)nc1=O ZINC001133468260 776778562 /nfs/dbraw/zinc/77/85/62/776778562.db2.gz YTFIHZPDKHPFSR-LBPRGKRZSA-N 1 2 296.331 -2.017 20 0 CAADLO Cn1[nH]c(C[NH2+]CCNC(=O)c2n[nH]cc2F)nc1=O ZINC001133478758 776779437 /nfs/dbraw/zinc/77/94/37/776779437.db2.gz LOVOEPOWIOZCOT-UHFFFAOYSA-N 1 2 283.267 -1.510 20 0 CAADLO C[C@@H]1COCC[C@@H]1C(=O)NCC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001133496378 776779749 /nfs/dbraw/zinc/77/97/49/776779749.db2.gz JGFXYQFLNGRGMT-ZJUUUORDSA-N 1 2 297.359 -1.013 20 0 CAADLO C[C@@]1(C(=O)NCC[NH2+]Cc2cnon2)CCNC1=O ZINC001133766627 776787617 /nfs/dbraw/zinc/78/76/17/776787617.db2.gz JGQIWBNIDHXYGE-LLVKDONJSA-N 1 2 267.289 -1.198 20 0 CAADLO C[C@H]1CC[N@H+](CC(=O)NCCNCc2nc(=O)n(C)[nH]2)C1 ZINC001133853902 776790525 /nfs/dbraw/zinc/79/05/25/776790525.db2.gz SUTAPLWYCZDLNX-JTQLQIEISA-N 1 2 296.375 -1.344 20 0 CAADLO C[C@H]1CC[N@@H+](CC(=O)NCCNCc2nc(=O)n(C)[nH]2)C1 ZINC001133853902 776790528 /nfs/dbraw/zinc/79/05/28/776790528.db2.gz SUTAPLWYCZDLNX-JTQLQIEISA-N 1 2 296.375 -1.344 20 0 CAADLO C[C@@H]1CC[N@H+](CC(=O)NCCNCc2nc(=O)n(C)[nH]2)C1 ZINC001133853903 776790980 /nfs/dbraw/zinc/79/09/80/776790980.db2.gz SUTAPLWYCZDLNX-SNVBAGLBSA-N 1 2 296.375 -1.344 20 0 CAADLO C[C@@H]1CC[N@@H+](CC(=O)NCCNCc2nc(=O)n(C)[nH]2)C1 ZINC001133853903 776790987 /nfs/dbraw/zinc/79/09/87/776790987.db2.gz SUTAPLWYCZDLNX-SNVBAGLBSA-N 1 2 296.375 -1.344 20 0 CAADLO NC(=O)[C@@H]1C[C@@H]1C(=O)NCC[NH2+]Cc1nncs1 ZINC001133911212 776791677 /nfs/dbraw/zinc/79/16/77/776791677.db2.gz CXGIUCPCYWVFHM-RQJHMYQMSA-N 1 2 269.330 -1.135 20 0 CAADLO NC(=O)[C@@H]1C[C@@H]1C(=O)NCC[NH2+]Cc1csnn1 ZINC001133942818 776797952 /nfs/dbraw/zinc/79/79/52/776797952.db2.gz HOHNVZDJWZCGQQ-SFYZADRCSA-N 1 2 269.330 -1.135 20 0 CAADLO Cc1ccn(CC(=O)NCC[NH2+]Cc2nc(=O)n(C)[nH]2)n1 ZINC001134002337 776799955 /nfs/dbraw/zinc/79/99/55/776799955.db2.gz UMLLNXKNBXVEQI-UHFFFAOYSA-N 1 2 293.331 -1.481 20 0 CAADLO Cn1nncc1C[NH2+]CCNC(=O)CCc1cnn[nH]1 ZINC001134013700 776801203 /nfs/dbraw/zinc/80/12/03/776801203.db2.gz BMIOHEMSYOZSIL-UHFFFAOYSA-N 1 2 278.320 -1.228 20 0 CAADLO C[C@@H]1CC[C@H](C(=O)NCC[NH2+]Cc2nc(=O)n(C)[nH]2)O1 ZINC001134083574 776805194 /nfs/dbraw/zinc/80/51/94/776805194.db2.gz BGRRKBOAVBXDOP-RKDXNWHRSA-N 1 2 283.332 -1.118 20 0 CAADLO Cn1[nH]c(C[NH2+]CCNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)nc1=O ZINC001134102559 776805382 /nfs/dbraw/zinc/80/53/82/776805382.db2.gz QOOABFXWWSBQAZ-BBBLOLIVSA-N 1 2 295.343 -1.118 20 0 CAADLO CC[C@H](NC(C)=O)C(=O)NCC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001134168898 776809164 /nfs/dbraw/zinc/80/91/64/776809164.db2.gz XMOLYUBZLHUWMO-VIFPVBQESA-N 1 2 298.347 -1.771 20 0 CAADLO C[C@H](NS(C)(=O)=O)C(=O)NCC[NH2+]Cc1cnon1 ZINC001134352827 776812735 /nfs/dbraw/zinc/81/27/35/776812735.db2.gz OFGCCMANRUUKDD-ZETCQYMHSA-N 1 2 291.333 -1.787 20 0 CAADLO Cn1[nH]c(C[NH2+]CCNC(=O)Cc2c[nH]cn2)nc1=O ZINC001134407080 776816668 /nfs/dbraw/zinc/81/66/68/776816668.db2.gz PSQRJORROCKJHI-UHFFFAOYSA-N 1 2 279.304 -1.720 20 0 CAADLO CN(C)C(=O)CC(=O)NCC[NH2+]Cc1nc(N(C)C)no1 ZINC001134939199 776832772 /nfs/dbraw/zinc/83/27/72/776832772.db2.gz RWGRZKBXAKUJCC-UHFFFAOYSA-N 1 2 298.347 -1.180 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2c[nH]c(=O)cn2)[C@@H](O)C1 ZINC001090521594 776836405 /nfs/dbraw/zinc/83/64/05/776836405.db2.gz AFWSURFXLSTTCR-APPZFPTMSA-N 1 2 295.299 -2.580 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)c2c[nH]c(=O)cn2)[C@@H](O)C1 ZINC001090521594 776836412 /nfs/dbraw/zinc/83/64/12/776836412.db2.gz AFWSURFXLSTTCR-APPZFPTMSA-N 1 2 295.299 -2.580 20 0 CAADLO CNC(=O)CC(=O)N1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001283891715 777923792 /nfs/dbraw/zinc/92/37/92/777923792.db2.gz ZUKRCLAGBBHHAB-VIFPVBQESA-N 1 2 293.327 -1.195 20 0 CAADLO CNC(=O)CC(=O)N1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001283891714 777923899 /nfs/dbraw/zinc/92/38/99/777923899.db2.gz ZUKRCLAGBBHHAB-SECBINFHSA-N 1 2 293.327 -1.195 20 0 CAADLO CNC(=O)CC(=O)N1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001283897123 777924916 /nfs/dbraw/zinc/92/49/16/777924916.db2.gz DMWXFJKOKMOWHS-SECBINFHSA-N 1 2 293.327 -1.195 20 0 CAADLO NC(=O)CC(=O)NC[C@H](NC(=O)Cc1[nH]cc[nH+]1)C1CC1 ZINC001283928311 777925346 /nfs/dbraw/zinc/92/53/46/777925346.db2.gz ZCIPTVISSYDQRM-VIFPVBQESA-N 1 2 293.327 -1.161 20 0 CAADLO CNC(=O)CC(=O)N[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001284021490 777926799 /nfs/dbraw/zinc/92/67/99/777926799.db2.gz YRGSRRHFFQDVAZ-JTQLQIEISA-N 1 2 293.327 -1.264 20 0 CAADLO COc1cc[nH+]cc1CC(=O)NC[C@H](C)NC(=O)C(N)=O ZINC001284270490 777934170 /nfs/dbraw/zinc/93/41/70/777934170.db2.gz MIAKWPXJAIOOCE-QMMMGPOBSA-N 1 2 294.311 -1.261 20 0 CAADLO C[C@H](CNC(=O)C(N)=O)NC(=O)Cc1c[nH]c[nH+]1 ZINC001284317345 777935344 /nfs/dbraw/zinc/93/53/44/777935344.db2.gz CJAPWFUQNABSPH-ZCFIWIBFSA-N 1 2 253.262 -1.942 20 0 CAADLO C[C@H]([NH2+]C[C@@H](O)CN(C)C(=O)C(N)=O)c1csnn1 ZINC001284445290 777942134 /nfs/dbraw/zinc/94/21/34/777942134.db2.gz RIVOHKORAMBYGX-NKWVEPMBSA-N 1 2 287.345 -1.507 20 0 CAADLO C[C@@H]([NH2+]C[C@@H](O)CN(C)C(=O)C(N)=O)c1csnn1 ZINC001284445291 777942664 /nfs/dbraw/zinc/94/26/64/777942664.db2.gz RIVOHKORAMBYGX-RNFRBKRXSA-N 1 2 287.345 -1.507 20 0 CAADLO CN(C[C@@H](O)C[N@H+](C)Cc1nccs1)C(=O)C(N)=O ZINC001284509277 777946585 /nfs/dbraw/zinc/94/65/85/777946585.db2.gz KUAZNPAHBLSXGA-QMMMGPOBSA-N 1 2 286.357 -1.121 20 0 CAADLO CN(C[C@@H](O)C[N@@H+](C)Cc1nccs1)C(=O)C(N)=O ZINC001284509277 777946592 /nfs/dbraw/zinc/94/65/92/777946592.db2.gz KUAZNPAHBLSXGA-QMMMGPOBSA-N 1 2 286.357 -1.121 20 0 CAADLO CN(CCNC(=O)Cc1c[nH+]cn1C)C(=O)C(N)=O ZINC001284559311 777950435 /nfs/dbraw/zinc/95/04/35/777950435.db2.gz WRSIGBRXCVYGQJ-UHFFFAOYSA-N 1 2 267.289 -1.978 20 0 CAADLO COCC[N@H+](CCNC(=O)C(N)=O)[C@H](C)C(=O)N(C)C ZINC001284656970 777952572 /nfs/dbraw/zinc/95/25/72/777952572.db2.gz DHTUWHNWTNUVJB-SECBINFHSA-N 1 2 288.348 -1.987 20 0 CAADLO COCC[N@@H+](CCNC(=O)C(N)=O)[C@H](C)C(=O)N(C)C ZINC001284656970 777952577 /nfs/dbraw/zinc/95/25/77/777952577.db2.gz DHTUWHNWTNUVJB-SECBINFHSA-N 1 2 288.348 -1.987 20 0 CAADLO COCC[N@H+](CCNC(=O)C(N)=O)[C@@H](C)C(=O)N(C)C ZINC001284656971 777953124 /nfs/dbraw/zinc/95/31/24/777953124.db2.gz DHTUWHNWTNUVJB-VIFPVBQESA-N 1 2 288.348 -1.987 20 0 CAADLO COCC[N@@H+](CCNC(=O)C(N)=O)[C@@H](C)C(=O)N(C)C ZINC001284656971 777953130 /nfs/dbraw/zinc/95/31/30/777953130.db2.gz DHTUWHNWTNUVJB-VIFPVBQESA-N 1 2 288.348 -1.987 20 0 CAADLO CCN(CCNC(=O)Cn1cc[nH+]c1)C(=O)CC(=O)NC ZINC001284628118 777953263 /nfs/dbraw/zinc/95/32/63/777953263.db2.gz YATMHRYRPVGLMJ-UHFFFAOYSA-N 1 2 295.343 -1.016 20 0 CAADLO COCC[N@H+](CCNC(=O)C(N)=O)Cc1cnn(C)c1 ZINC001284657488 777954590 /nfs/dbraw/zinc/95/45/90/777954590.db2.gz JNVYXXLJIAPUGE-UHFFFAOYSA-N 1 2 283.332 -1.530 20 0 CAADLO COCC[N@@H+](CCNC(=O)C(N)=O)Cc1cnn(C)c1 ZINC001284657488 777954595 /nfs/dbraw/zinc/95/45/95/777954595.db2.gz JNVYXXLJIAPUGE-UHFFFAOYSA-N 1 2 283.332 -1.530 20 0 CAADLO Cc1[nH+]c[nH]c1CC(=O)NC1CC(CNC(=O)C(N)=O)C1 ZINC001285241175 777969730 /nfs/dbraw/zinc/96/97/30/777969730.db2.gz ORNVGQUJQDERAF-UHFFFAOYSA-N 1 2 293.327 -1.243 20 0 CAADLO NC(=O)C(=O)NC1CC(CNC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001285245391 777969856 /nfs/dbraw/zinc/96/98/56/777969856.db2.gz JLBMQFOHOAUDHM-UHFFFAOYSA-N 1 2 293.327 -1.161 20 0 CAADLO CC(C)[C@@H](CNC(=O)C(N)=O)NC(=O)Cc1c[nH+]cn1C ZINC001285342694 777971169 /nfs/dbraw/zinc/97/11/69/777971169.db2.gz RTFGLKZZDOXSKE-SNVBAGLBSA-N 1 2 295.343 -1.295 20 0 CAADLO C[C@H](CNC(=O)Cc1[nH]cc[nH+]1)NC(=O)C1(C(N)=O)CC1 ZINC001285690373 777983557 /nfs/dbraw/zinc/98/35/57/777983557.db2.gz YTZYAZCJQFKEJJ-MRVPVSSYSA-N 1 2 293.327 -1.161 20 0 CAADLO C[C@@H](CNC(=O)Cn1cc[nH+]c1)NC(=O)[C@@H]1CCNC1=O ZINC001285762364 777987110 /nfs/dbraw/zinc/98/71/10/777987110.db2.gz XQOHGADZIKCZGV-VHSXEESVSA-N 1 2 293.327 -1.360 20 0 CAADLO C[C@H](CNC(=O)Cc1[nH]cc[nH+]1)N(C)C(=O)CC(N)=O ZINC001285814141 777988020 /nfs/dbraw/zinc/98/80/20/777988020.db2.gz TZXFVWXPXDEGPC-MRVPVSSYSA-N 1 2 281.316 -1.209 20 0 CAADLO C[C@@H](CNC(=O)CC(N)=O)NC(=O)Cc1c[nH]c[nH+]1 ZINC001285785697 777988064 /nfs/dbraw/zinc/98/80/64/777988064.db2.gz BHDLICYDTITBLA-ZETCQYMHSA-N 1 2 267.289 -1.552 20 0 CAADLO C[C@@H](CNC(=O)Cc1c[nH+]cn1C)NC(=O)C(N)=O ZINC001285772785 777988137 /nfs/dbraw/zinc/98/81/37/777988137.db2.gz ZTBCVUNTDWSNCC-ZETCQYMHSA-N 1 2 267.289 -1.931 20 0 CAADLO C[N@@H+]1CCO[C@H](C(=O)NC2(CNC(=O)CC(N)=O)CC2)C1 ZINC001285914716 777993497 /nfs/dbraw/zinc/99/34/97/777993497.db2.gz NWEYZDRLYCZAFW-VIFPVBQESA-N 1 2 298.343 -2.043 20 0 CAADLO C[N@H+]1CCO[C@H](C(=O)NC2(CNC(=O)CC(N)=O)CC2)C1 ZINC001285914716 777993504 /nfs/dbraw/zinc/99/35/04/777993504.db2.gz NWEYZDRLYCZAFW-VIFPVBQESA-N 1 2 298.343 -2.043 20 0 CAADLO CN(C(=O)CCc1c[nH+]cn1C)C1CN(C(=O)C(N)=O)C1 ZINC001286026940 777995924 /nfs/dbraw/zinc/99/59/24/777995924.db2.gz BETKJUDUZJLCIM-UHFFFAOYSA-N 1 2 293.327 -1.493 20 0 CAADLO Cc1[nH+]c[nH]c1CC(=O)N1CC(N(C)C(=O)CC(N)=O)C1 ZINC001286003782 777996163 /nfs/dbraw/zinc/99/61/63/777996163.db2.gz QRCDIRDTSRIMAA-UHFFFAOYSA-N 1 2 293.327 -1.195 20 0 CAADLO C[C@@H](CCCNC(=O)C(N)=O)NC(=O)Cc1[nH]cc[nH+]1 ZINC001287304483 778000288 /nfs/dbraw/zinc/00/02/88/778000288.db2.gz OFQWXCTUQVMIOY-QMMMGPOBSA-N 1 2 281.316 -1.161 20 0 CAADLO CN(CCOCCNC(=O)Cc1[nH]cc[nH+]1)C(=O)C(N)=O ZINC001287425037 778000628 /nfs/dbraw/zinc/00/06/28/778000628.db2.gz PMJLEWBLGVRBMN-UHFFFAOYSA-N 1 2 297.315 -1.971 20 0 CAADLO CC(=O)NC[C@H](CO)NC(=O)CCn1cc[nH+]c1 ZINC001287730788 778006434 /nfs/dbraw/zinc/00/64/34/778006434.db2.gz UVQWBFKHTKZPRJ-SNVBAGLBSA-N 1 2 254.290 -1.114 20 0 CAADLO CCC(=O)NC[C@@H](CO)NC(=O)Cn1cc[nH+]c1 ZINC001287731274 778006641 /nfs/dbraw/zinc/00/66/41/778006641.db2.gz XTRYDWOZGMHQMX-VIFPVBQESA-N 1 2 254.290 -1.114 20 0 CAADLO CNC(=O)CC(=O)N[C@@H](CO)CNC(=O)Cn1cc[nH+]c1 ZINC001287802817 778010724 /nfs/dbraw/zinc/01/07/24/778010724.db2.gz KVHOJJMXNBIYMH-SECBINFHSA-N 1 2 297.315 -2.388 20 0 CAADLO CC(=O)N[C@H](CO)CNC(=O)CCc1c[nH+]cn1C ZINC001287825041 778011867 /nfs/dbraw/zinc/01/18/67/778011867.db2.gz PJGVICALFUFPQL-JTQLQIEISA-N 1 2 268.317 -1.034 20 0 CAADLO CC(=O)N(C)C[C@H](O)CNC(=O)Cn1cc[nH+]c1 ZINC001288055295 778016360 /nfs/dbraw/zinc/01/63/60/778016360.db2.gz HISJTFQHXSJKBF-SNVBAGLBSA-N 1 2 254.290 -1.162 20 0 CAADLO NC(=O)C(=O)N[C@@H]1CC[C@@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001288052780 778016609 /nfs/dbraw/zinc/01/66/09/778016609.db2.gz UJBMJKLXWFXRTA-NXEZZACHSA-N 1 2 293.327 -1.231 20 0 CAADLO CN(C[C@@H]1CCN1C(=O)CCc1c[nH]c[nH+]1)C(=O)C(N)=O ZINC001289998400 778026261 /nfs/dbraw/zinc/02/62/61/778026261.db2.gz DFIQMIVJKZRGJP-JTQLQIEISA-N 1 2 293.327 -1.113 20 0 CAADLO CN(C[C@@H]1CCN1C(=O)CCc1c[nH+]c[nH]1)C(=O)C(N)=O ZINC001289998400 778026267 /nfs/dbraw/zinc/02/62/67/778026267.db2.gz DFIQMIVJKZRGJP-JTQLQIEISA-N 1 2 293.327 -1.113 20 0 CAADLO CN(C[C@@H]1CCN1C(=O)Cc1c[nH+]c[nH]1)C(=O)CC(N)=O ZINC001289955069 778026894 /nfs/dbraw/zinc/02/68/94/778026894.db2.gz YMHVJIYRXNZYDM-JTQLQIEISA-N 1 2 293.327 -1.113 20 0 CAADLO CC(=O)NCC(=O)NCCNC(=O)CCc1c[nH+]cn1C ZINC001292449170 778033481 /nfs/dbraw/zinc/03/34/81/778033481.db2.gz CBQFFTCBUDRZGX-UHFFFAOYSA-N 1 2 295.343 -1.279 20 0 CAADLO CS(=O)(=O)CC(=O)NCCNC(=O)Cc1c[nH]c[nH+]1 ZINC001292553543 778039419 /nfs/dbraw/zinc/03/94/19/778039419.db2.gz JIEHDIISBAYDLL-UHFFFAOYSA-N 1 2 288.329 -1.771 20 0 CAADLO C[C@@H]1C[N@H+](CCNC(=O)Cn2nnc(N)n2)CCO1 ZINC001292572756 778040539 /nfs/dbraw/zinc/04/05/39/778040539.db2.gz GFNCNNCEMHFRRE-MRVPVSSYSA-N 1 2 269.309 -1.908 20 0 CAADLO C[C@@H]1C[N@@H+](CCNC(=O)Cn2nnc(N)n2)CCO1 ZINC001292572756 778040551 /nfs/dbraw/zinc/04/05/51/778040551.db2.gz GFNCNNCEMHFRRE-MRVPVSSYSA-N 1 2 269.309 -1.908 20 0 CAADLO NC(=O)CC(=O)NCCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001292599305 778041624 /nfs/dbraw/zinc/04/16/24/778041624.db2.gz WCBGOWNJFKFCNF-SECBINFHSA-N 1 2 293.327 -1.447 20 0 CAADLO Cn1cc[nH+]c1CCC(=O)NCCNC(=O)CC(N)=O ZINC001292599695 778042721 /nfs/dbraw/zinc/04/27/21/778042721.db2.gz PXPPOYLZNUIVCW-UHFFFAOYSA-N 1 2 281.316 -1.540 20 0 CAADLO NC(=O)CC(=O)NCCNC(=O)CCc1[nH]cc[nH+]1 ZINC001292598634 778042860 /nfs/dbraw/zinc/04/28/60/778042860.db2.gz MMVKRGCVQVZQSZ-UHFFFAOYSA-N 1 2 267.289 -1.550 20 0 CAADLO C[C@H](NC(N)=O)C(=O)NCCNC(=O)Cc1c[nH+]cn1C ZINC001292670961 778043643 /nfs/dbraw/zinc/04/36/43/778043643.db2.gz OPTXVXNXSCPTNQ-QMMMGPOBSA-N 1 2 296.331 -1.748 20 0 CAADLO CC(C)(C(N)=O)C(=O)NCCNC(=O)Cc1c[nH]c[nH+]1 ZINC001292867797 778049078 /nfs/dbraw/zinc/04/90/78/778049078.db2.gz UEPRAGKFQOIXCG-UHFFFAOYSA-N 1 2 281.316 -1.304 20 0 CAADLO CNC(=O)C1(C(=O)NCCNC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001292973771 778051040 /nfs/dbraw/zinc/05/10/40/778051040.db2.gz HIGWEBYXMHIGGB-UHFFFAOYSA-N 1 2 293.327 -1.289 20 0 CAADLO Cc1[nH+]c[nH]c1CC(=O)NCCNC(=O)[C@@H]1CNC(=O)N1 ZINC001293027643 778051689 /nfs/dbraw/zinc/05/16/89/778051689.db2.gz JFVDCRWAQJWKEL-VIFPVBQESA-N 1 2 294.315 -1.826 20 0 CAADLO O=C(CCn1cc[nH+]c1)NCCNC(=O)[C@@H]1CCC(=O)N1 ZINC001293008631 778052061 /nfs/dbraw/zinc/05/20/61/778052061.db2.gz BLVSHZOOGHPVQJ-JTQLQIEISA-N 1 2 293.327 -1.216 20 0 CAADLO O=C(Cc1c[nH]c[nH+]1)NCCNC(=O)[C@H]1CCNC1=O ZINC001293038361 778052330 /nfs/dbraw/zinc/05/23/30/778052330.db2.gz BDMJYOIANVCDSF-VIFPVBQESA-N 1 2 279.300 -1.679 20 0 CAADLO NC(=O)C(=O)NCCCNC(=O)Cc1c[nH]c[nH+]1 ZINC001293492067 778059212 /nfs/dbraw/zinc/05/92/12/778059212.db2.gz ORXVTSFJQLJQQU-UHFFFAOYSA-N 1 2 253.262 -1.940 20 0 CAADLO NC(=O)CC(=O)NC1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001293806389 778062033 /nfs/dbraw/zinc/06/20/33/778062033.db2.gz XKYMTOHPLDIGSS-UHFFFAOYSA-N 1 2 293.327 -1.065 20 0 CAADLO CN(CCCNC(=O)Cc1c[nH+]cn1C)C(=O)CC(N)=O ZINC001294204635 778063779 /nfs/dbraw/zinc/06/37/79/778063779.db2.gz ZFFWPXBCFOCFLN-UHFFFAOYSA-N 1 2 295.343 -1.197 20 0 CAADLO CC(=O)NCCC[NH+]1CCN(C(=O)C(N)=O)CC1 ZINC001294651973 778066970 /nfs/dbraw/zinc/06/69/70/778066970.db2.gz CWTVMBUBDVZPRW-UHFFFAOYSA-N 1 2 256.306 -1.858 20 0 CAADLO NC(=O)C(=O)N(CCCNC(=O)Cc1[nH]cc[nH+]1)C1CC1 ZINC001294628798 778067014 /nfs/dbraw/zinc/06/70/14/778067014.db2.gz DKJROOFMAWIRKI-UHFFFAOYSA-N 1 2 293.327 -1.065 20 0 CAADLO NC(=O)C(=O)N1CCC[C@@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001295255955 778074420 /nfs/dbraw/zinc/07/44/20/778074420.db2.gz JMASLZPZEZFKJU-JTQLQIEISA-N 1 2 293.327 -1.277 20 0 CAADLO C[C@H](CNC(=O)C(N)=O)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001295634720 778083557 /nfs/dbraw/zinc/08/35/57/778083557.db2.gz SZUJLUXVZPQVSC-BDAKNGLRSA-N 1 2 293.327 -1.448 20 0 CAADLO NC(=O)C(=O)N1CC[C@@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001295751450 778086646 /nfs/dbraw/zinc/08/66/46/778086646.db2.gz HRPPPZKJWKWSCX-VIFPVBQESA-N 1 2 279.300 -1.667 20 0 CAADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CCC(N)=O ZINC001295984369 778088164 /nfs/dbraw/zinc/08/81/64/778088164.db2.gz GVZJCXGLHVEHDV-QMMMGPOBSA-N 1 2 268.273 -1.125 20 0 CAADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CCC(N)=O ZINC001295984369 778088173 /nfs/dbraw/zinc/08/81/73/778088173.db2.gz GVZJCXGLHVEHDV-QMMMGPOBSA-N 1 2 268.273 -1.125 20 0 CAADLO CN(CCNC(=O)C(N)=O)C(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001296217113 778093397 /nfs/dbraw/zinc/09/33/97/778093397.db2.gz DMQJFFSFCUUPHT-MRVPVSSYSA-N 1 2 293.327 -1.111 20 0 CAADLO CN(CCNC(=O)C(N)=O)C(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001296217114 778094086 /nfs/dbraw/zinc/09/40/86/778094086.db2.gz DMQJFFSFCUUPHT-QMMMGPOBSA-N 1 2 293.327 -1.111 20 0 CAADLO C[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@H]2CNC(=O)C(N)=O)C1 ZINC001296462771 778096707 /nfs/dbraw/zinc/09/67/07/778096707.db2.gz CBJPDSWCNWBRFO-VHSXEESVSA-N 1 2 298.343 -2.091 20 0 CAADLO C[N@H+]1CCO[C@@H](C(=O)N2CCC[C@H]2CNC(=O)C(N)=O)C1 ZINC001296462771 778096712 /nfs/dbraw/zinc/09/67/12/778096712.db2.gz CBJPDSWCNWBRFO-VHSXEESVSA-N 1 2 298.343 -2.091 20 0 CAADLO NC(=O)C(=O)NC[C@@H]1CCC[C@@H]1NC(=O)Cn1cc[nH+]c1 ZINC001298129383 778115323 /nfs/dbraw/zinc/11/53/23/778115323.db2.gz RVCUIAQJLJQUAA-UWVGGRQHSA-N 1 2 293.327 -1.231 20 0 CAADLO NC(=O)C(=O)N[C@@H]1CCC[C@@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001298138891 778115567 /nfs/dbraw/zinc/11/55/67/778115567.db2.gz OAWWVOFYBBRVMA-NXEZZACHSA-N 1 2 293.327 -1.231 20 0 CAADLO NC(=O)[C@@H]1CC[C@H](C(=O)N[C@H]2Cc3c[nH+]cn3C2)O1 ZINC001298229399 778119119 /nfs/dbraw/zinc/11/91/19/778119119.db2.gz BIGUSWRNVXIHPS-UJNFCWOMSA-N 1 2 264.285 -1.043 20 0 CAADLO CC(=O)NCC(=O)NC/C=C/CNC(=O)Cc1c[nH]c[nH+]1 ZINC001298223210 778119383 /nfs/dbraw/zinc/11/93/83/778119383.db2.gz CGUMBHTZUSZDFS-NSCUHMNNSA-N 1 2 293.327 -1.123 20 0 CAADLO NC(=O)CC(=O)NC/C=C/CNC(=O)Cc1[nH]cc[nH+]1 ZINC001298320001 778120062 /nfs/dbraw/zinc/12/00/62/778120062.db2.gz IMSQOBQQFCGOAJ-OWOJBTEDSA-N 1 2 279.300 -1.384 20 0 CAADLO NC(=O)C(=O)NC/C=C/CNC(=O)Cn1cc[nH+]c1 ZINC001298466392 778121249 /nfs/dbraw/zinc/12/12/49/778121249.db2.gz ZUJCVKCBZBITRK-OWOJBTEDSA-N 1 2 265.273 -1.843 20 0 CAADLO C[C@H](CNC(=O)CCn1cc[nH+]c1)NC(=O)CC(N)=O ZINC001298556373 778122194 /nfs/dbraw/zinc/12/21/94/778122194.db2.gz IVLTXENTULEHGW-SECBINFHSA-N 1 2 281.316 -1.231 20 0 CAADLO C[C@H](CNC(=O)C(N)=O)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001298629504 778122943 /nfs/dbraw/zinc/12/29/43/778122943.db2.gz CIQSRQNXCCRSEG-BDAKNGLRSA-N 1 2 293.327 -1.448 20 0 CAADLO NC(=O)CC(=O)N1CC[C@@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001299054439 778128302 /nfs/dbraw/zinc/12/83/02/778128302.db2.gz AMPWAEYXQAUWNB-SECBINFHSA-N 1 2 279.300 -1.524 20 0 CAADLO Cn1c[nH+]cc1CC(=O)NC[C@@H]1CCN1C(=O)C(N)=O ZINC001299065922 778128526 /nfs/dbraw/zinc/12/85/26/778128526.db2.gz KLWXOMJINODWNG-QMMMGPOBSA-N 1 2 279.300 -1.835 20 0 CAADLO NC(=O)CC(=O)N1CC[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001299054440 778128620 /nfs/dbraw/zinc/12/86/20/778128620.db2.gz AMPWAEYXQAUWNB-VIFPVBQESA-N 1 2 279.300 -1.524 20 0 CAADLO Nc1nnn(CC(=O)N[C@@H]2CCc3c[nH+]cn3C2)n1 ZINC001299826334 778130381 /nfs/dbraw/zinc/13/03/81/778130381.db2.gz SIOAGROSCREBMK-SSDOTTSWSA-N 1 2 262.277 -1.417 20 0 CAADLO Nc1nnn(CC(=O)N[C@H]2CCn3c[nH+]cc3C2)n1 ZINC001299812854 778130760 /nfs/dbraw/zinc/13/07/60/778130760.db2.gz ITSFTMJAENWYMS-ZETCQYMHSA-N 1 2 262.277 -1.417 20 0 CAADLO O=C(N[C@H](CO)Cc1c[nH]c[nH+]1)[C@H]1CCNC1=O ZINC001302759058 778138434 /nfs/dbraw/zinc/13/84/34/778138434.db2.gz HFRNWSGJTQKKCS-IUCAKERBSA-N 1 2 252.274 -1.435 20 0 CAADLO O=C(N[C@H](CO)Cc1c[nH+]c[nH]1)[C@H]1CCNC1=O ZINC001302759058 778138437 /nfs/dbraw/zinc/13/84/37/778138437.db2.gz HFRNWSGJTQKKCS-IUCAKERBSA-N 1 2 252.274 -1.435 20 0 CAADLO O=C(N[C@H](CO)Cc1c[nH]c[nH+]1)[C@@H]1CCNC1=O ZINC001302759057 778138547 /nfs/dbraw/zinc/13/85/47/778138547.db2.gz HFRNWSGJTQKKCS-DTWKUNHWSA-N 1 2 252.274 -1.435 20 0 CAADLO O=C(N[C@H](CO)Cc1c[nH+]c[nH]1)[C@@H]1CCNC1=O ZINC001302759057 778138549 /nfs/dbraw/zinc/13/85/49/778138549.db2.gz HFRNWSGJTQKKCS-DTWKUNHWSA-N 1 2 252.274 -1.435 20 0 CAADLO CNC(=O)C[N@@H+]1CCCN(C(=O)[C@H]2CCCN2C=O)CC1 ZINC001303885214 778141651 /nfs/dbraw/zinc/14/16/51/778141651.db2.gz LJRVRXYNSAXIKD-GFCCVEGCSA-N 1 2 296.371 -1.113 20 0 CAADLO CNC(=O)C[N@H+]1CCCN(C(=O)[C@H]2CCCN2C=O)CC1 ZINC001303885214 778141656 /nfs/dbraw/zinc/14/16/56/778141656.db2.gz LJRVRXYNSAXIKD-GFCCVEGCSA-N 1 2 296.371 -1.113 20 0 CAADLO CCc1[nH]c(CNC(=O)Cn2nnc(N)n2)c[nH+]1 ZINC001303974919 778141856 /nfs/dbraw/zinc/14/18/56/778141856.db2.gz POPBTBZRVLEAPM-UHFFFAOYSA-N 1 2 250.266 -1.143 20 0 CAADLO CCc1[nH]cc(CNC(=O)Cn2nnc(N)n2)[nH+]1 ZINC001303974919 778141863 /nfs/dbraw/zinc/14/18/63/778141863.db2.gz POPBTBZRVLEAPM-UHFFFAOYSA-N 1 2 250.266 -1.143 20 0 CAADLO O=C(CCc1cn[nH]n1)N1CC([NH2+]C2COC2)C1 ZINC001304208038 778143010 /nfs/dbraw/zinc/14/30/10/778143010.db2.gz ITGVGQOGVRRDJJ-UHFFFAOYSA-N 1 2 251.290 -1.064 20 0 CAADLO O=C(CCc1c[nH]nn1)N1CC([NH2+]C2COC2)C1 ZINC001304208038 778143012 /nfs/dbraw/zinc/14/30/12/778143012.db2.gz ITGVGQOGVRRDJJ-UHFFFAOYSA-N 1 2 251.290 -1.064 20 0 CAADLO C[C@@H](C(=O)N1CC([NH2+]C2COC2)C1)S(C)(=O)=O ZINC001304208462 778143020 /nfs/dbraw/zinc/14/30/20/778143020.db2.gz MCQLPCAQDOREOJ-ZETCQYMHSA-N 1 2 262.331 -1.381 20 0 CAADLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)CN1C(=O)CNC1=O ZINC001116859363 779514400 /nfs/dbraw/zinc/51/44/00/779514400.db2.gz DZTDVPOQEWBLED-SNVBAGLBSA-N 1 2 298.343 -1.283 20 0 CAADLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)CN1C(=O)CNC1=O ZINC001116859362 779514455 /nfs/dbraw/zinc/51/44/55/779514455.db2.gz DZTDVPOQEWBLED-JTQLQIEISA-N 1 2 298.343 -1.283 20 0 CAADLO Cn1nncc1C[N@@H+]1CCC[C@@]2(C1)NC(=O)NC2=O ZINC001116845663 779514505 /nfs/dbraw/zinc/51/45/05/779514505.db2.gz UFYMZRARLHWTNQ-NSHDSACASA-N 1 2 264.289 -1.011 20 0 CAADLO Cn1nncc1C[N@H+]1CCC[C@@]2(C1)NC(=O)NC2=O ZINC001116845663 779514513 /nfs/dbraw/zinc/51/45/13/779514513.db2.gz UFYMZRARLHWTNQ-NSHDSACASA-N 1 2 264.289 -1.011 20 0 CAADLO C[C@]1(O)CCN(C(=O)C(=O)NCCn2cc[nH+]c2)C1 ZINC001116990618 779520938 /nfs/dbraw/zinc/52/09/38/779520938.db2.gz HLRXKZAZKMJGKA-LBPRGKRZSA-N 1 2 266.301 -1.017 20 0 CAADLO CN1C[C@H](NC(=O)C(=O)NCCCn2cc[nH+]c2)CC1=O ZINC001116976834 779521205 /nfs/dbraw/zinc/52/12/05/779521205.db2.gz IVGOKKVTSPNKMB-SNVBAGLBSA-N 1 2 293.327 -1.264 20 0 CAADLO CN(C(=O)C(=O)NCCCn1cc[nH+]c1)[C@H]1CCNC1=O ZINC001116977669 779521399 /nfs/dbraw/zinc/52/13/99/779521399.db2.gz UGUDSSCGZWBTBF-JTQLQIEISA-N 1 2 293.327 -1.264 20 0 CAADLO O=C(NCCn1cc[nH+]c1)C(=O)NC[C@H]1COCCO1 ZINC001116973999 779521441 /nfs/dbraw/zinc/52/14/41/779521441.db2.gz MINISTKGTVOIEV-JTQLQIEISA-N 1 2 282.300 -1.469 20 0 CAADLO O=C(NCCCn1cc[nH+]c1)C(=O)NCCn1cncn1 ZINC001116976879 779521480 /nfs/dbraw/zinc/52/14/80/779521480.db2.gz KVDOPYAZPCBOJD-UHFFFAOYSA-N 1 2 291.315 -1.203 20 0 CAADLO NC(=O)N[C@@H]1CCN(C(=O)C(=O)NCCn2cc[nH+]c2)C1 ZINC001116994474 779522466 /nfs/dbraw/zinc/52/24/66/779522466.db2.gz IEYUEKPLVKPYAQ-SECBINFHSA-N 1 2 294.315 -1.732 20 0 CAADLO CNC(=O)[C@H]1CN(C(=O)Cc2c[nH+]cn2C)CCO1 ZINC001117450250 779536138 /nfs/dbraw/zinc/53/61/38/779536138.db2.gz PIFSCSBJLHMRFU-SNVBAGLBSA-N 1 2 266.301 -1.064 20 0 CAADLO O=C(CN1C(=O)CNC1=O)N1CCn2c[nH+]cc2C1 ZINC001117651364 779540450 /nfs/dbraw/zinc/54/04/50/779540450.db2.gz DAQXPPICYDSTMA-UHFFFAOYSA-N 1 2 263.257 -1.223 20 0 CAADLO NS(=O)(=O)CCOCCNC(=O)CCn1cc[nH+]c1 ZINC001117737914 779543141 /nfs/dbraw/zinc/54/31/41/779543141.db2.gz XHPAETBCPNDASD-UHFFFAOYSA-N 1 2 290.345 -1.306 20 0 CAADLO Cn1c[nH+]cc1CC(=O)NCCN1CCNC(=O)C1 ZINC001117787083 779544153 /nfs/dbraw/zinc/54/41/53/779544153.db2.gz GJFXCLZUGNHETO-UHFFFAOYSA-N 1 2 265.317 -1.489 20 0 CAADLO CC[NH+]1CCN(C(=O)C(=O)N2C[C@@H]3COC[C@H](C2)O3)CC1 ZINC001117871856 779545927 /nfs/dbraw/zinc/54/59/27/779545927.db2.gz CQWDWVUJNTYXCN-TXEJJXNPSA-N 1 2 297.355 -1.223 20 0 CAADLO C[NH+]1CCN(C(=O)C(=O)N2CCC[C@@H](OCCO)C2)CC1 ZINC001117984512 779547256 /nfs/dbraw/zinc/54/72/56/779547256.db2.gz OGGJPMPYWFJOEW-GFCCVEGCSA-N 1 2 299.371 -1.240 20 0 CAADLO CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)c1cnnn1C ZINC001118197098 779552888 /nfs/dbraw/zinc/55/28/88/779552888.db2.gz NPTKAQOSWQHXFQ-SECBINFHSA-N 1 2 267.289 -1.208 20 0 CAADLO O=C(C[NH2+]C[C@H]1CCCO1)NCc1n[nH]c(=O)[nH]1 ZINC001118199657 779553034 /nfs/dbraw/zinc/55/30/34/779553034.db2.gz QRVYABXBSJTPIE-SSDOTTSWSA-N 1 2 255.278 -1.105 20 0 CAADLO O=C(NCCn1cc[nH+]c1)[C@H]1CCS(=O)(=O)N1 ZINC001118302856 779561253 /nfs/dbraw/zinc/56/12/53/779561253.db2.gz AUDVBJVBVYDIJQ-MRVPVSSYSA-N 1 2 258.303 -1.309 20 0 CAADLO O=C(NCCn1cc[nH+]c1)[C@@H]1CCS(=O)(=O)N1 ZINC001118302857 779561810 /nfs/dbraw/zinc/56/18/10/779561810.db2.gz AUDVBJVBVYDIJQ-QMMMGPOBSA-N 1 2 258.303 -1.309 20 0 CAADLO CN(C)S(=O)(=O)NCCNC(=O)Cc1c[nH+]cn1C ZINC001118338273 779565824 /nfs/dbraw/zinc/56/58/24/779565824.db2.gz XNCVTVOVNFQRPB-UHFFFAOYSA-N 1 2 289.361 -1.525 20 0 CAADLO CCOC(=O)Cn1cc(C[C@@H]([NH3+])C(=O)OC)nn1 ZINC001118411008 779568901 /nfs/dbraw/zinc/56/89/01/779568901.db2.gz BRIFFBMPPZSIQN-MRVPVSSYSA-N 1 2 256.262 -1.116 20 0 CAADLO CN(CCNS(C)(=O)=O)C(=O)Cc1[nH]cc[nH+]1 ZINC001118669272 779581094 /nfs/dbraw/zinc/58/10/94/779581094.db2.gz UGXOJQJRTHYJHM-UHFFFAOYSA-N 1 2 260.319 -1.040 20 0 CAADLO C[C@@H](C(=O)N1C[C@H](O)C[C@H]1C(N)=O)n1cc[nH+]c1 ZINC001118946558 779599130 /nfs/dbraw/zinc/59/91/30/779599130.db2.gz GRRJRUJHCBNXSE-YIZRAAEISA-N 1 2 252.274 -1.109 20 0 CAADLO C[C@H](C(=O)N1C[C@H](O)C[C@H]1C(N)=O)n1cc[nH+]c1 ZINC001118946557 779599356 /nfs/dbraw/zinc/59/93/56/779599356.db2.gz GRRJRUJHCBNXSE-HLTSFMKQSA-N 1 2 252.274 -1.109 20 0 CAADLO NC(=O)[C@@]1(NC(=O)/C=C\C[NH+]2CCOCC2)CCOC1 ZINC001119040245 779603145 /nfs/dbraw/zinc/60/31/45/779603145.db2.gz DOBXFULYTHFLHW-UIIMQBOASA-N 1 2 283.328 -1.365 20 0 CAADLO CN1CC[C@@](C)(C(=O)N[C@@H]2CCC[N@H+](CC(N)=O)C2)C1=O ZINC001119041141 779603844 /nfs/dbraw/zinc/60/38/44/779603844.db2.gz PKEFACWFMKJKES-YGRLFVJLSA-N 1 2 296.371 -1.079 20 0 CAADLO CN1CC[C@@](C)(C(=O)N[C@@H]2CCC[N@@H+](CC(N)=O)C2)C1=O ZINC001119041141 779603845 /nfs/dbraw/zinc/60/38/45/779603845.db2.gz PKEFACWFMKJKES-YGRLFVJLSA-N 1 2 296.371 -1.079 20 0 CAADLO CN1CC[C@](C)(C(=O)N[C@@H]2CCC[N@H+](CC(N)=O)C2)C1=O ZINC001119040893 779604247 /nfs/dbraw/zinc/60/42/47/779604247.db2.gz PKEFACWFMKJKES-QMTHXVAHSA-N 1 2 296.371 -1.079 20 0 CAADLO CN1CC[C@](C)(C(=O)N[C@@H]2CCC[N@@H+](CC(N)=O)C2)C1=O ZINC001119040893 779604253 /nfs/dbraw/zinc/60/42/53/779604253.db2.gz PKEFACWFMKJKES-QMTHXVAHSA-N 1 2 296.371 -1.079 20 0 CAADLO CCN(CC)C(=O)CNC(=O)C(=O)NCCn1cc[nH+]c1 ZINC001119115457 779606547 /nfs/dbraw/zinc/60/65/47/779606547.db2.gz HMKGNEDRAPXCCT-UHFFFAOYSA-N 1 2 295.343 -1.016 20 0 CAADLO O=C(NCCCn1cncn1)C(=O)NCCn1cc[nH+]c1 ZINC001119117046 779606569 /nfs/dbraw/zinc/60/65/69/779606569.db2.gz YYMCLEWJCLJZNJ-UHFFFAOYSA-N 1 2 291.315 -1.203 20 0 CAADLO C[S@](=O)CC[N@H+]1CCN2[C@H](CNS2(=O)=O)C1 ZINC001119933877 779627998 /nfs/dbraw/zinc/62/79/98/779627998.db2.gz GXTSPXBEKYNBLR-GLEZIHRCSA-N 1 2 267.376 -1.801 20 0 CAADLO C[C@H](C(=O)N(C)c1nn[nH]n1)N1CC[NH+](C)CC1 ZINC001119595366 779619020 /nfs/dbraw/zinc/61/90/20/779619020.db2.gz NLNZFNIGDYTBRQ-MRVPVSSYSA-N 1 2 253.310 -1.202 20 0 CAADLO C[C@@H](C(=O)N1CC(S(N)(=O)=O)C1)n1cc[nH+]c1 ZINC001119649129 779622103 /nfs/dbraw/zinc/62/21/03/779622103.db2.gz HYMXOWPQSRYFHI-ZETCQYMHSA-N 1 2 258.303 -1.057 20 0 CAADLO Cn1c[nH+]cc1[C@H](CO)NC(=O)[C@H]1CN(C)C(=O)N1 ZINC001119659548 779622128 /nfs/dbraw/zinc/62/21/28/779622128.db2.gz SUAYAXINRWEENG-SFYZADRCSA-N 1 2 267.289 -1.407 20 0 CAADLO C[N@@H+]1CCN(C(=O)CO[C@@H]2CCOC2)C[C@@H]1CO ZINC001119662503 779623782 /nfs/dbraw/zinc/62/37/82/779623782.db2.gz GPOLZNVOIAHTRV-GHMZBOCLSA-N 1 2 258.318 -1.073 20 0 CAADLO C[N@H+]1CCN(C(=O)CO[C@@H]2CCOC2)C[C@@H]1CO ZINC001119662503 779623789 /nfs/dbraw/zinc/62/37/89/779623789.db2.gz GPOLZNVOIAHTRV-GHMZBOCLSA-N 1 2 258.318 -1.073 20 0 CAADLO COC(=O)[C@@H]1C[C@H](O)C[N@@H+]1C[C@H](O)C1(O)CCC1 ZINC001119845101 779627353 /nfs/dbraw/zinc/62/73/53/779627353.db2.gz KDMUFZJQZFZUGI-GUBZILKMSA-N 1 2 259.302 -1.130 20 0 CAADLO COC(=O)[C@@H]1C[C@H](O)C[N@H+]1C[C@H](O)C1(O)CCC1 ZINC001119845101 779627358 /nfs/dbraw/zinc/62/73/58/779627358.db2.gz KDMUFZJQZFZUGI-GUBZILKMSA-N 1 2 259.302 -1.130 20 0 CAADLO CC(C)[N@H+](C)CC(=O)NC[C@H](O)CS(C)(=O)=O ZINC001119902713 779627793 /nfs/dbraw/zinc/62/77/93/779627793.db2.gz VEURRBJHCXNZKA-VIFPVBQESA-N 1 2 266.363 -1.152 20 0 CAADLO CC(C)[N@@H+](C)CC(=O)NC[C@H](O)CS(C)(=O)=O ZINC001119902713 779627799 /nfs/dbraw/zinc/62/77/99/779627799.db2.gz VEURRBJHCXNZKA-VIFPVBQESA-N 1 2 266.363 -1.152 20 0 CAADLO C[S@](=O)CC[N@@H+]1CCN2[C@H](CNS2(=O)=O)C1 ZINC001119933877 779627992 /nfs/dbraw/zinc/62/79/92/779627992.db2.gz GXTSPXBEKYNBLR-GLEZIHRCSA-N 1 2 267.376 -1.801 20 0 CAADLO C[S@@](=O)CC[N@@H+]1CCN2[C@@H](CNS2(=O)=O)C1 ZINC001119933878 779628572 /nfs/dbraw/zinc/62/85/72/779628572.db2.gz GXTSPXBEKYNBLR-VXJOIVPMSA-N 1 2 267.376 -1.801 20 0 CAADLO C[S@@](=O)CC[N@H+]1CCN2[C@@H](CNS2(=O)=O)C1 ZINC001119933878 779628574 /nfs/dbraw/zinc/62/85/74/779628574.db2.gz GXTSPXBEKYNBLR-VXJOIVPMSA-N 1 2 267.376 -1.801 20 0 CAADLO C[S@@](=O)CC[N@@H+]1CCN2[C@H](CNS2(=O)=O)C1 ZINC001119933874 779630339 /nfs/dbraw/zinc/63/03/39/779630339.db2.gz GXTSPXBEKYNBLR-ANRSDYALSA-N 1 2 267.376 -1.801 20 0 CAADLO C[S@@](=O)CC[N@H+]1CCN2[C@H](CNS2(=O)=O)C1 ZINC001119933874 779630342 /nfs/dbraw/zinc/63/03/42/779630342.db2.gz GXTSPXBEKYNBLR-ANRSDYALSA-N 1 2 267.376 -1.801 20 0 CAADLO C[C@@H](CNC(=O)C[C@@H]1CC(=O)NC1=O)[NH+]1CCN(C)CC1 ZINC001119928373 779630355 /nfs/dbraw/zinc/63/03/55/779630355.db2.gz KRRZVQGMYATURJ-WDEREUQCSA-N 1 2 296.371 -1.209 20 0 CAADLO CO[C@]1(C[NH+]2CC3(C2)NC(=O)NC3=O)CCOC1 ZINC001119982859 779631308 /nfs/dbraw/zinc/63/13/08/779631308.db2.gz MVVCSUMBKHEDOQ-JTQLQIEISA-N 1 2 255.274 -1.314 20 0 CAADLO CC[N@@H+]1CC[C@H]1CNC(=O)C(=O)N1C[C@@H]2C[C@H]1C[S@]2=O ZINC001120473701 779638546 /nfs/dbraw/zinc/63/85/46/779638546.db2.gz SCVGXMKDXJRFQG-NECJPBOMSA-N 1 2 299.396 -1.071 20 0 CAADLO CC[N@H+]1CC[C@H]1CNC(=O)C(=O)N1C[C@@H]2C[C@H]1C[S@]2=O ZINC001120473701 779638549 /nfs/dbraw/zinc/63/85/49/779638549.db2.gz SCVGXMKDXJRFQG-NECJPBOMSA-N 1 2 299.396 -1.071 20 0 CAADLO Cc1nc(N[C@@H](CO)CNC(=O)CNC(N)=O)cc[nH+]1 ZINC001121017623 779645379 /nfs/dbraw/zinc/64/53/79/779645379.db2.gz HHOLSFLFJCBNOA-MRVPVSSYSA-N 1 2 282.304 -1.658 20 0 CAADLO COCC(=O)NC[C@@H](CO)Nc1[nH+]cnc2c1cnn2C ZINC001120991699 779645705 /nfs/dbraw/zinc/64/57/05/779645705.db2.gz GDZCVJVKBGTPNS-QMMMGPOBSA-N 1 2 294.315 -1.101 20 0 CAADLO Cc1nc(N[C@@H](CO)CNC(=O)Cn2cnnn2)cc[nH+]1 ZINC001121025575 779646891 /nfs/dbraw/zinc/64/68/91/779646891.db2.gz SOASEBKQGIGRIM-SECBINFHSA-N 1 2 292.303 -1.639 20 0 CAADLO Cc1nc(N[C@H](CO)CNC(=O)CC(N)=O)cc[nH+]1 ZINC001121258260 779648562 /nfs/dbraw/zinc/64/85/62/779648562.db2.gz QDACZTNXXUHKQM-QMMMGPOBSA-N 1 2 267.289 -1.451 20 0 CAADLO Cc1nc(N[C@H](CO)CNC(=O)[C@H]2COC(=O)N2)cc[nH+]1 ZINC001121385177 779649391 /nfs/dbraw/zinc/64/93/91/779649391.db2.gz HXWICCZTDNOCEC-DTWKUNHWSA-N 1 2 295.299 -1.218 20 0 CAADLO Cc1nc(N[C@H](CO)CNC(=O)[C@@H]2CCC(=O)N2)cc[nH+]1 ZINC001121820212 779651537 /nfs/dbraw/zinc/65/15/37/779651537.db2.gz ZBKHYKHGEJZBCX-UWVGGRQHSA-N 1 2 293.327 -1.047 20 0 CAADLO CNC(=O)[C@H]1CN(C(=O)C[C@@H]([NH3+])C(F)F)CCO1 ZINC001122049124 779656126 /nfs/dbraw/zinc/65/61/26/779656126.db2.gz FEEHUUCNGIPBNI-RNFRBKRXSA-N 1 2 265.260 -1.058 20 0 CAADLO CNC(=O)[C@H]1CN(C(=O)C[C@H]([NH3+])C(F)F)CCO1 ZINC001122049123 779656673 /nfs/dbraw/zinc/65/66/73/779656673.db2.gz FEEHUUCNGIPBNI-NKWVEPMBSA-N 1 2 265.260 -1.058 20 0 CAADLO COCC[C@@H]1C[NH2+]CCN1C(=O)CCc1nn[nH]n1 ZINC001122312128 779664333 /nfs/dbraw/zinc/66/43/33/779664333.db2.gz GCFDVUNAGBVZGK-SECBINFHSA-N 1 2 268.321 -1.031 20 0 CAADLO COCC[C@H]1C[NH2+]CCN1C(=O)CCc1nn[nH]n1 ZINC001122312129 779664393 /nfs/dbraw/zinc/66/43/93/779664393.db2.gz GCFDVUNAGBVZGK-VIFPVBQESA-N 1 2 268.321 -1.031 20 0 CAADLO CNC(=O)Cc1noc(C[NH2+]CCNC(=O)COC)n1 ZINC001122338028 779665627 /nfs/dbraw/zinc/66/56/27/779665627.db2.gz VQHNZFXCJWEMNB-UHFFFAOYSA-N 1 2 285.304 -1.790 20 0 CAADLO Cc1nc(N[C@H](CO)CNC(=O)c2nnn(C)n2)cc[nH+]1 ZINC001122334661 779665806 /nfs/dbraw/zinc/66/58/06/779665806.db2.gz VMHLXGLMQOZSTK-QMMMGPOBSA-N 1 2 292.303 -1.489 20 0 CAADLO CNC(=O)Cc1noc(C[NH2+]CCNC(=O)C(F)F)n1 ZINC001122423447 779667713 /nfs/dbraw/zinc/66/77/13/779667713.db2.gz CVTVXEIMRVTNMW-UHFFFAOYSA-N 1 2 291.258 -1.171 20 0 CAADLO Cc1nc(N[C@H](CO)CNC(=O)[C@@H]2CNC(=O)N2)cc[nH+]1 ZINC001122438965 779668730 /nfs/dbraw/zinc/66/87/30/779668730.db2.gz ZLJREFVPXBNYKR-IUCAKERBSA-N 1 2 294.315 -1.645 20 0 CAADLO Cc1nc(N[C@@H](CO)CNC(=O)C(N)=O)cc[nH+]1 ZINC001122450870 779668850 /nfs/dbraw/zinc/66/88/50/779668850.db2.gz CLBKZAOJKUBVJY-SSDOTTSWSA-N 1 2 253.262 -1.841 20 0 CAADLO Cn1ncc2c1nc[nH+]c2N[C@H](CO)CNC(=O)C(N)=O ZINC001122451407 779668884 /nfs/dbraw/zinc/66/88/84/779668884.db2.gz IMSQUWTVMQOQPQ-LURJTMIESA-N 1 2 293.287 -2.262 20 0 CAADLO Cc1nc(N[C@H](CO)CNC(=O)C(N)=O)cc[nH+]1 ZINC001122450872 779669167 /nfs/dbraw/zinc/66/91/67/779669167.db2.gz CLBKZAOJKUBVJY-ZETCQYMHSA-N 1 2 253.262 -1.841 20 0 CAADLO Cc1nc(N(C)C)nc(N[C@@H](CO)CNC(=O)C(N)=O)[nH+]1 ZINC001122451497 779669881 /nfs/dbraw/zinc/66/98/81/779669881.db2.gz KXKPAVFQJXVMFY-SSDOTTSWSA-N 1 2 297.319 -2.380 20 0 CAADLO C[C@H](C(=O)N[C@@]1(C)CCOC1=O)N1CC[NH2+]CC1=O ZINC001122511354 779670474 /nfs/dbraw/zinc/67/04/74/779670474.db2.gz MYCHILFOTZQDPA-PELKAZGASA-N 1 2 269.301 -1.372 20 0 CAADLO C[C@H](C(=O)N[C@]1(C)CCOC1=O)N1CC[NH2+]CC1=O ZINC001122511355 779670593 /nfs/dbraw/zinc/67/05/93/779670593.db2.gz MYCHILFOTZQDPA-PRHODGIISA-N 1 2 269.301 -1.372 20 0 CAADLO C[C@H](C(=O)N1CCNNCC1)N1CC[NH2+]CC1=O ZINC001122478316 779671485 /nfs/dbraw/zinc/67/14/85/779671485.db2.gz YKUBPSKSQHFHSY-SECBINFHSA-N 1 2 255.322 -2.257 20 0 CAADLO CCc1noc(C[NH2+]CCNC(=O)CNC(C)=O)n1 ZINC001122675040 779673807 /nfs/dbraw/zinc/67/38/07/779673807.db2.gz HEIWWNWUZRQSHD-UHFFFAOYSA-N 1 2 269.305 -1.026 20 0 CAADLO CC(=O)NCC(=O)NCC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001122668159 779673814 /nfs/dbraw/zinc/67/38/14/779673814.db2.gz VADHKRIHIXGOKI-UHFFFAOYSA-N 1 2 270.293 -2.550 20 0 CAADLO CC(=O)NCC(=O)NCC[NH2+]Cc1cnsn1 ZINC001122667389 779673827 /nfs/dbraw/zinc/67/38/27/779673827.db2.gz CMUUMNHRGBMMQM-UHFFFAOYSA-N 1 2 257.319 -1.120 20 0 CAADLO Cn1[nH]c(C[NH2+]CCNC(=O)C2=COCCO2)nc1=O ZINC001123020043 779676791 /nfs/dbraw/zinc/67/67/91/779676791.db2.gz VHNTYWNZDDEZPH-UHFFFAOYSA-N 1 2 283.288 -1.798 20 0 CAADLO CCOCC(=O)NCC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001123014512 779676973 /nfs/dbraw/zinc/67/69/73/779676973.db2.gz OMBMUHQHCQXKPQ-UHFFFAOYSA-N 1 2 257.294 -1.649 20 0 CAADLO CC(=O)N[C@@H](C)C(=O)NCC[NH2+]Cc1nc(N(C)C)no1 ZINC001123072329 779677837 /nfs/dbraw/zinc/67/78/37/779677837.db2.gz NCOPUKIIYLSOCG-QMMMGPOBSA-N 1 2 298.347 -1.134 20 0 CAADLO CC(=O)N[C@H](C)C(=O)NCC[NH2+]Cc1nc(N(C)C)no1 ZINC001123072328 779677968 /nfs/dbraw/zinc/67/79/68/779677968.db2.gz NCOPUKIIYLSOCG-MRVPVSSYSA-N 1 2 298.347 -1.134 20 0 CAADLO CSCC(=O)NCC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001123165811 779680394 /nfs/dbraw/zinc/68/03/94/779680394.db2.gz HKCKKXSCDYVGCQ-UHFFFAOYSA-N 1 2 259.335 -1.323 20 0 CAADLO Cc1nonc1C[NH2+]CCNC(=O)CNC(N)=O ZINC001123235085 779682260 /nfs/dbraw/zinc/68/22/60/779682260.db2.gz FXCKFVFSMAFKDE-UHFFFAOYSA-N 1 2 256.266 -1.748 20 0 CAADLO NC(=O)NCC(=O)NCC[NH2+]Cc1nc(C2CC2)no1 ZINC001123235136 779682503 /nfs/dbraw/zinc/68/25/03/779682503.db2.gz IEOIMOCCBNNEKS-UHFFFAOYSA-N 1 2 282.304 -1.179 20 0 CAADLO Cc1nnc([C@H](C)[NH2+]CCNC(=O)CNC(N)=O)o1 ZINC001123241740 779682942 /nfs/dbraw/zinc/68/29/42/779682942.db2.gz JATVCBIVHPTCHI-LURJTMIESA-N 1 2 270.293 -1.187 20 0 CAADLO NC(=O)NCC(=O)NCC[NH2+]Cc1nnc(C2CC2)o1 ZINC001123257426 779684425 /nfs/dbraw/zinc/68/44/25/779684425.db2.gz GWSVYFSKWLRONM-UHFFFAOYSA-N 1 2 282.304 -1.179 20 0 CAADLO Cc1cnc(C[NH2+]CCNC(=O)Cn2cnnn2)o1 ZINC001123305167 779685578 /nfs/dbraw/zinc/68/55/78/779685578.db2.gz OKVLBIKYXKRXBT-UHFFFAOYSA-N 1 2 265.277 -1.124 20 0 CAADLO C[C@@H]([NH2+]CCNC(=O)Cn1cnnn1)c1csnn1 ZINC001123313684 779686777 /nfs/dbraw/zinc/68/67/77/779686777.db2.gz VIOKOBYLEAYVRF-SSDOTTSWSA-N 1 2 282.333 -1.008 20 0 CAADLO C[C@H]([NH2+]CCNC(=O)Cn1cnnn1)c1csnn1 ZINC001123313685 779687160 /nfs/dbraw/zinc/68/71/60/779687160.db2.gz VIOKOBYLEAYVRF-ZETCQYMHSA-N 1 2 282.333 -1.008 20 0 CAADLO O=C(CN1CCCC1=O)NCC[NH2+]Cc1cnon1 ZINC001123341375 779688287 /nfs/dbraw/zinc/68/82/87/779688287.db2.gz HQTZKKUEDBAOSF-UHFFFAOYSA-N 1 2 267.289 -1.102 20 0 CAADLO Cc1cc(C(=O)NCC[NH2+]Cc2nc(=O)n(C)[nH]2)on1 ZINC001123423297 779689330 /nfs/dbraw/zinc/68/93/30/779689330.db2.gz JITAUBHWZPXMMH-UHFFFAOYSA-N 1 2 280.288 -1.076 20 0 CAADLO C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NCC[S@@](C)=O ZINC001123559893 779690242 /nfs/dbraw/zinc/69/02/42/779690242.db2.gz UESBXKGYVHNTMH-VHCOLVSPSA-N 1 2 259.375 -1.131 20 0 CAADLO C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NCC[S@@](C)=O ZINC001123559893 779690245 /nfs/dbraw/zinc/69/02/45/779690245.db2.gz UESBXKGYVHNTMH-VHCOLVSPSA-N 1 2 259.375 -1.131 20 0 CAADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)CN1C(=O)CCC1=O ZINC001123520623 779690568 /nfs/dbraw/zinc/69/05/68/779690568.db2.gz CQSOTADIZGAXSW-SNVBAGLBSA-N 1 2 283.328 -1.028 20 0 CAADLO C[C@@H]1COCC[N@H+]1CCNC(=O)CN1C(=O)CCC1=O ZINC001123520623 779690576 /nfs/dbraw/zinc/69/05/76/779690576.db2.gz CQSOTADIZGAXSW-SNVBAGLBSA-N 1 2 283.328 -1.028 20 0 CAADLO Cn1[nH]c(C[NH2+]CCNC(=O)Cn2cccn2)nc1=O ZINC001123515767 779690900 /nfs/dbraw/zinc/69/09/00/779690900.db2.gz RICKXVUAPUCYQB-UHFFFAOYSA-N 1 2 279.304 -1.789 20 0 CAADLO CCc1cc(C(=O)NCC[NH2+]Cc2nc(=O)n(C)[nH]2)[nH]n1 ZINC001123857026 779695169 /nfs/dbraw/zinc/69/51/69/779695169.db2.gz KVVVRSCBACGRFN-UHFFFAOYSA-N 1 2 293.331 -1.087 20 0 CAADLO Cn1[nH]c(C[NH2+]CCNC(=O)[C@H]2COCCO2)nc1=O ZINC001123869735 779695400 /nfs/dbraw/zinc/69/54/00/779695400.db2.gz KTCUDVRMWXYRPK-MRVPVSSYSA-N 1 2 285.304 -2.270 20 0 CAADLO C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N[C@@H]1COCCC1=O ZINC001123840902 779695667 /nfs/dbraw/zinc/69/56/67/779695667.db2.gz PZXUTPLVJIDVDT-GMTAPVOTSA-N 1 2 267.329 -1.151 20 0 CAADLO C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N[C@@H]1COCCC1=O ZINC001123840902 779695669 /nfs/dbraw/zinc/69/56/69/779695669.db2.gz PZXUTPLVJIDVDT-GMTAPVOTSA-N 1 2 267.329 -1.151 20 0 CAADLO C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N[C@@H]1COCCC1=O ZINC001123840903 779695723 /nfs/dbraw/zinc/69/57/23/779695723.db2.gz PZXUTPLVJIDVDT-MXWKQRLJSA-N 1 2 267.329 -1.151 20 0 CAADLO C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)N[C@@H]1COCCC1=O ZINC001123840903 779695726 /nfs/dbraw/zinc/69/57/26/779695726.db2.gz PZXUTPLVJIDVDT-MXWKQRLJSA-N 1 2 267.329 -1.151 20 0 CAADLO Cc1nnc(C[NH2+]CCNC(=O)[C@@H]2COCCO2)o1 ZINC001123870462 779696545 /nfs/dbraw/zinc/69/65/45/779696545.db2.gz UTFOHPXGVQBCSN-VIFPVBQESA-N 1 2 270.289 -1.001 20 0 CAADLO O=C(NCC[NH2+]Cc1cnon1)[C@@H]1COCCO1 ZINC001123876360 779696827 /nfs/dbraw/zinc/69/68/27/779696827.db2.gz GJCRHVXAMYOGKG-VIFPVBQESA-N 1 2 256.262 -1.309 20 0 CAADLO Cc1nnc(C[NH2+]CCNC(=O)[C@H]2COCCO2)o1 ZINC001123870461 779696894 /nfs/dbraw/zinc/69/68/94/779696894.db2.gz UTFOHPXGVQBCSN-SECBINFHSA-N 1 2 270.289 -1.001 20 0 CAADLO C[C@H](C(=O)NCC[NH2+]Cc1nc(=O)n(C)[nH]1)n1cccn1 ZINC001123917852 779698616 /nfs/dbraw/zinc/69/86/16/779698616.db2.gz JGITVVKAAPVQID-SECBINFHSA-N 1 2 293.331 -1.228 20 0 CAADLO C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NN1CCOC1=O ZINC001123940500 779699198 /nfs/dbraw/zinc/69/91/98/779699198.db2.gz RKQBGBRPHLAAHV-RKDXNWHRSA-N 1 2 254.290 -1.142 20 0 CAADLO C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NN1CCOC1=O ZINC001123940500 779699202 /nfs/dbraw/zinc/69/92/02/779699202.db2.gz RKQBGBRPHLAAHV-RKDXNWHRSA-N 1 2 254.290 -1.142 20 0 CAADLO C[C@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NN1CCOC1=O ZINC001123940498 779699716 /nfs/dbraw/zinc/69/97/16/779699716.db2.gz RKQBGBRPHLAAHV-DTWKUNHWSA-N 1 2 254.290 -1.142 20 0 CAADLO C[C@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NN1CCOC1=O ZINC001123940498 779699719 /nfs/dbraw/zinc/69/97/19/779699719.db2.gz RKQBGBRPHLAAHV-DTWKUNHWSA-N 1 2 254.290 -1.142 20 0 CAADLO C[C@@H](C(=O)NCC[NH2+]Cc1nc(=O)n(C)[nH]1)n1cccn1 ZINC001123917853 779699777 /nfs/dbraw/zinc/69/97/77/779699777.db2.gz JGITVVKAAPVQID-VIFPVBQESA-N 1 2 293.331 -1.228 20 0 CAADLO C[NH+]1CCN(C(=O)CNC(=O)c2nnc[nH]2)CC1 ZINC001124073680 779702247 /nfs/dbraw/zinc/70/22/47/779702247.db2.gz CMNLIGXPSSXQKY-UHFFFAOYSA-N 1 2 252.278 -1.692 20 0 CAADLO COCCCC(=O)NCC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001124088631 779703729 /nfs/dbraw/zinc/70/37/29/779703729.db2.gz IDMOFPZHMHKGPF-UHFFFAOYSA-N 1 2 271.321 -1.259 20 0 CAADLO CCO[C@@H]1C[C@H]1C(=O)NCC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001124142187 779704272 /nfs/dbraw/zinc/70/42/72/779704272.db2.gz ZTGZPWDPIZHQOK-RKDXNWHRSA-N 1 2 283.332 -1.261 20 0 CAADLO COC(=O)NCC(=O)NCC[NH2+]Cc1nnc(C)o1 ZINC001124172703 779704550 /nfs/dbraw/zinc/70/45/50/779704550.db2.gz OVKYXHQWUGELHO-UHFFFAOYSA-N 1 2 271.277 -1.060 20 0 CAADLO Cc1ncncc1C(=O)NCC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001124119996 779704607 /nfs/dbraw/zinc/70/46/07/779704607.db2.gz VMCKCALJKJEIQI-UHFFFAOYSA-N 1 2 291.315 -1.274 20 0 CAADLO Cc1cc(C(=O)NCC[NH2+]Cc2nc(=O)n(C)[nH]2)nn1C ZINC001124277290 779708578 /nfs/dbraw/zinc/70/85/78/779708578.db2.gz DPBIWULZHSNHEY-UHFFFAOYSA-N 1 2 293.331 -1.330 20 0 CAADLO C[C@H]([NH2+]CCNC(=O)CS(C)(=O)=O)c1nnnn1C ZINC001124362819 779710054 /nfs/dbraw/zinc/71/00/54/779710054.db2.gz QQWRMGXTSBFUQR-ZETCQYMHSA-N 1 2 290.349 -1.979 20 0 CAADLO CCCOCC(=O)NCC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001124444812 779711936 /nfs/dbraw/zinc/71/19/36/779711936.db2.gz XTDRUAXFOUECBR-UHFFFAOYSA-N 1 2 271.321 -1.259 20 0 CAADLO Cn1[nH]c(C[NH2+]CCNC(=O)[C@@H]2CCOC2)nc1=O ZINC001124496242 779712475 /nfs/dbraw/zinc/71/24/75/779712475.db2.gz ZDOJSFXLARBYQN-MRVPVSSYSA-N 1 2 269.305 -1.649 20 0 CAADLO COC[C@@H](C)C(=O)NCC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001124749052 779716047 /nfs/dbraw/zinc/71/60/47/779716047.db2.gz NPLPPMPQKJDFSY-MRVPVSSYSA-N 1 2 271.321 -1.403 20 0 CAADLO COC[C@H](C)C(=O)NCC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001124749053 779716718 /nfs/dbraw/zinc/71/67/18/779716718.db2.gz NPLPPMPQKJDFSY-QMMMGPOBSA-N 1 2 271.321 -1.403 20 0 CAADLO CN(C)c1noc(C[NH2+]CCNC(=O)[C@H]2CCC(=O)N2)n1 ZINC001124804546 779718109 /nfs/dbraw/zinc/71/81/09/779718109.db2.gz BUDYYAODDPCNRB-MRVPVSSYSA-N 1 2 296.331 -1.380 20 0 CAADLO COCCOCC(=O)NCC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001124920778 779719981 /nfs/dbraw/zinc/71/99/81/779719981.db2.gz KPMYWZOZHUSKAK-UHFFFAOYSA-N 1 2 287.320 -2.023 20 0 CAADLO Cn1[nH]c(CNCCNC(=O)[C@@H]2CCC[N@@H+]2C)nc1=O ZINC001124872530 779719989 /nfs/dbraw/zinc/71/99/89/779719989.db2.gz JCYKXHJXHCBTTG-VIFPVBQESA-N 1 2 282.348 -1.592 20 0 CAADLO Cn1[nH]c(CNCCNC(=O)[C@@H]2CCC[N@H+]2C)nc1=O ZINC001124872530 779719993 /nfs/dbraw/zinc/71/99/93/779719993.db2.gz JCYKXHJXHCBTTG-VIFPVBQESA-N 1 2 282.348 -1.592 20 0 CAADLO Cn1[nH]c(CNCCNC(=O)[C@H]2CCC[N@@H+]2C)nc1=O ZINC001124872529 779720099 /nfs/dbraw/zinc/72/00/99/779720099.db2.gz JCYKXHJXHCBTTG-SECBINFHSA-N 1 2 282.348 -1.592 20 0 CAADLO Cn1[nH]c(CNCCNC(=O)[C@H]2CCC[N@H+]2C)nc1=O ZINC001124872529 779720102 /nfs/dbraw/zinc/72/01/02/779720102.db2.gz JCYKXHJXHCBTTG-SECBINFHSA-N 1 2 282.348 -1.592 20 0 CAADLO Cc1nc(N(C)C[C@@H](O)CN(C)C(=O)CC(N)=O)cc[nH+]1 ZINC001125040985 779720997 /nfs/dbraw/zinc/72/09/97/779720997.db2.gz AKDCSGCJZFBMCY-SNVBAGLBSA-N 1 2 295.343 -1.084 20 0 CAADLO Cc1n[nH]c(C(=O)NCC[NH2+][C@@H](C)C(=O)NC(N)=O)c1C ZINC001125044436 779721096 /nfs/dbraw/zinc/72/10/96/779721096.db2.gz CDKOZKKHIVHLKB-QMMMGPOBSA-N 1 2 296.331 -1.071 20 0 CAADLO Cn1[nH]c(C[NH2+]CCNC(=O)CC(N)=O)nc1=O ZINC001125079581 779721513 /nfs/dbraw/zinc/72/15/13/779721513.db2.gz AIYBLOFLLYUZCQ-UHFFFAOYSA-N 1 2 256.266 -2.810 20 0 CAADLO Cn1[nH]c(C[NH2+]CCNC(=O)c2nccnc2N)nc1=O ZINC001125029200 779721559 /nfs/dbraw/zinc/72/15/59/779721559.db2.gz OAPYMPAMAHSPRV-UHFFFAOYSA-N 1 2 292.303 -2.000 20 0 CAADLO COC[C@H](NC(=O)CCc1[nH+]ccn1C)C(N)=O ZINC001137612141 779726706 /nfs/dbraw/zinc/72/67/06/779726706.db2.gz CBQAKWRZHYEICR-QMMMGPOBSA-N 1 2 254.290 -1.031 20 0 CAADLO Cc1[nH]c(=O)[nH]c(=O)c1C[NH+]1CC(N2CCNC(=O)C2)C1 ZINC001138467650 779732202 /nfs/dbraw/zinc/73/22/02/779732202.db2.gz SRYPCTVIOXUXGE-UHFFFAOYSA-N 1 2 293.327 -1.188 20 0 CAADLO O=C1CC[C@@H](C[NH+]2CC(N3CCNC(=O)C3)C2)N1 ZINC001202877748 779733387 /nfs/dbraw/zinc/73/33/87/779733387.db2.gz IRZJWDVBEVIMIA-VIFPVBQESA-N 1 2 252.318 -1.619 20 0 CAADLO COC(=O)[C@H]1C[N@H+](C[C@H]2CCC(=O)N2)CCN1C(C)=O ZINC001202903447 779734625 /nfs/dbraw/zinc/73/46/25/779734625.db2.gz PRQBRQYCIXZHRK-GHMZBOCLSA-N 1 2 283.328 -1.029 20 0 CAADLO COC(=O)[C@H]1C[N@@H+](C[C@H]2CCC(=O)N2)CCN1C(C)=O ZINC001202903447 779734626 /nfs/dbraw/zinc/73/46/26/779734626.db2.gz PRQBRQYCIXZHRK-GHMZBOCLSA-N 1 2 283.328 -1.029 20 0 CAADLO COC(=O)[C@@H]1C[N@H+](C[C@H]2CCC(=O)N2)CCN1C(C)=O ZINC001202903448 779734736 /nfs/dbraw/zinc/73/47/36/779734736.db2.gz PRQBRQYCIXZHRK-MNOVXSKESA-N 1 2 283.328 -1.029 20 0 CAADLO COC(=O)[C@@H]1C[N@@H+](C[C@H]2CCC(=O)N2)CCN1C(C)=O ZINC001202903448 779734740 /nfs/dbraw/zinc/73/47/40/779734740.db2.gz PRQBRQYCIXZHRK-MNOVXSKESA-N 1 2 283.328 -1.029 20 0 CAADLO CNC(=O)CN1CCO[C@H]2C[N@H+](CC(=O)N(C)C)C[C@H]21 ZINC001203008246 779736892 /nfs/dbraw/zinc/73/68/92/779736892.db2.gz BCISFEADZXAYIX-MNOVXSKESA-N 1 2 284.360 -1.794 20 0 CAADLO CNC(=O)CN1CCO[C@H]2C[N@@H+](CC(=O)N(C)C)C[C@H]21 ZINC001203008246 779736898 /nfs/dbraw/zinc/73/68/98/779736898.db2.gz BCISFEADZXAYIX-MNOVXSKESA-N 1 2 284.360 -1.794 20 0 CAADLO O=C1COC[C@H]2C[N@H+](CC3C(=O)N=CNC3=O)CCN12 ZINC001140472782 779737706 /nfs/dbraw/zinc/73/77/06/779737706.db2.gz FJOUCARMQAHKMH-MRVPVSSYSA-N 1 2 280.284 -1.069 20 0 CAADLO O=C1COC[C@H]2C[N@@H+](CC3C(=O)N=CNC3=O)CCN12 ZINC001140472782 779737711 /nfs/dbraw/zinc/73/77/11/779737711.db2.gz FJOUCARMQAHKMH-MRVPVSSYSA-N 1 2 280.284 -1.069 20 0 CAADLO C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)Nc1nnc2[nH]cnn12 ZINC001141672283 779744276 /nfs/dbraw/zinc/74/42/76/779744276.db2.gz DZYMXDOVLFHOOV-LDWIPMOCSA-N 1 2 265.277 -1.154 20 0 CAADLO C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)Nc1nnc2[nH]cnn12 ZINC001141672283 779744279 /nfs/dbraw/zinc/74/42/79/779744279.db2.gz DZYMXDOVLFHOOV-LDWIPMOCSA-N 1 2 265.277 -1.154 20 0 CAADLO Cn1c[nH+]c(CCNC(=O)CN2CC(=O)NC2=O)c1 ZINC001142092755 779749724 /nfs/dbraw/zinc/74/97/24/779749724.db2.gz LOQDRFRNUNCNIF-UHFFFAOYSA-N 1 2 265.273 -1.369 20 0 CAADLO COC(=O)[C@H]1C[N@H+](C)CCN1C(=O)Cn1cnnn1 ZINC001142137402 779753545 /nfs/dbraw/zinc/75/35/45/779753545.db2.gz LAUUSSYLPYFHLS-MRVPVSSYSA-N 1 2 268.277 -2.011 20 0 CAADLO COC(=O)[C@H]1C[N@@H+](C)CCN1C(=O)Cn1cnnn1 ZINC001142137402 779753553 /nfs/dbraw/zinc/75/35/53/779753553.db2.gz LAUUSSYLPYFHLS-MRVPVSSYSA-N 1 2 268.277 -2.011 20 0 CAADLO COC(=O)[C@H](Cc1c[nH+]cn1C)NC(=O)Cn1cnnn1 ZINC001142141246 779754009 /nfs/dbraw/zinc/75/40/09/779754009.db2.gz ZFKHKKVZKXBONK-VIFPVBQESA-N 1 2 293.287 -1.693 20 0 CAADLO COC(=O)[C@H]1C[N@H+](C)CCN1C(=O)Cn1nccn1 ZINC001142189687 779754395 /nfs/dbraw/zinc/75/43/95/779754395.db2.gz CPIJQXNYQWSYGJ-SECBINFHSA-N 1 2 267.289 -1.406 20 0 CAADLO COC(=O)[C@H]1C[N@@H+](C)CCN1C(=O)Cn1nccn1 ZINC001142189687 779754401 /nfs/dbraw/zinc/75/44/01/779754401.db2.gz CPIJQXNYQWSYGJ-SECBINFHSA-N 1 2 267.289 -1.406 20 0 CAADLO COC(=O)[C@@H]1C[N@H+](C)CCN1C(=O)Cn1nccn1 ZINC001142189688 779754848 /nfs/dbraw/zinc/75/48/48/779754848.db2.gz CPIJQXNYQWSYGJ-VIFPVBQESA-N 1 2 267.289 -1.406 20 0 CAADLO COC(=O)[C@@H]1C[N@@H+](C)CCN1C(=O)Cn1nccn1 ZINC001142189688 779754852 /nfs/dbraw/zinc/75/48/52/779754852.db2.gz CPIJQXNYQWSYGJ-VIFPVBQESA-N 1 2 267.289 -1.406 20 0 CAADLO Cc1cn(CC(=O)NC2C[NH+](C)C2)c(=O)[nH]c1=O ZINC001142319649 779756721 /nfs/dbraw/zinc/75/67/21/779756721.db2.gz VLXROJJWDXPZAL-UHFFFAOYSA-N 1 2 252.274 -1.312 20 0 CAADLO [NH3+][C@@H]1NCN(C(=O)C(=O)c2ccco2)[C@H]2NCN[C@H]21 ZINC001142291189 779756835 /nfs/dbraw/zinc/75/68/35/779756835.db2.gz PVPGQNLQKCRJTN-FXBDTBDDSA-N 1 2 265.273 -2.019 20 0 CAADLO [NH3+][C@@H]1NCN(C(=O)C(=O)c2ccco2)[C@H]2NCN[C@@H]21 ZINC001142291192 779757113 /nfs/dbraw/zinc/75/71/13/779757113.db2.gz PVPGQNLQKCRJTN-SZEHBUNVSA-N 1 2 265.273 -2.019 20 0 CAADLO [NH3+][C@@H]1NCN(C(=O)C(=O)c2ccccc2)[C@@H]2NCN[C@@H]21 ZINC001142694489 779761042 /nfs/dbraw/zinc/76/10/42/779761042.db2.gz WGUMQQMPQQPLOR-JLLWLGSASA-N 1 2 275.312 -1.612 20 0 CAADLO COC(=O)[C@@H]1C[N@H+](C)CCN1C(=O)CNC(C)=O ZINC001142805033 779761723 /nfs/dbraw/zinc/76/17/23/779761723.db2.gz ZJTALNUOMINDQR-VIFPVBQESA-N 1 2 257.290 -1.562 20 0 CAADLO COC(=O)[C@@H]1C[N@@H+](C)CCN1C(=O)CNC(C)=O ZINC001142805033 779761730 /nfs/dbraw/zinc/76/17/30/779761730.db2.gz ZJTALNUOMINDQR-VIFPVBQESA-N 1 2 257.290 -1.562 20 0 CAADLO COC(=O)[C@@H](Cc1c[nH+]cn1C)NC(=O)C(N)=O ZINC001142941516 779764807 /nfs/dbraw/zinc/76/48/07/779764807.db2.gz FDUWRYCEYYWFKN-SSDOTTSWSA-N 1 2 254.246 -1.894 20 0 CAADLO CC(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@@H](CO)Cc1c[nH]c[nH+]1 ZINC001143038210 779766343 /nfs/dbraw/zinc/76/63/43/779766343.db2.gz PAFKLCPJOXYGNR-UTUOFQBUSA-N 1 2 296.327 -1.589 20 0 CAADLO CC(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@@H](CO)Cc1c[nH+]c[nH]1 ZINC001143038210 779766349 /nfs/dbraw/zinc/76/63/49/779766349.db2.gz PAFKLCPJOXYGNR-UTUOFQBUSA-N 1 2 296.327 -1.589 20 0 CAADLO COC(=O)[C@H]1C[N@H+](C)CCN1C(=O)[C@H]1CCC(=O)N1 ZINC001143125820 779768008 /nfs/dbraw/zinc/76/80/08/779768008.db2.gz QNESOLSODRTTPD-RKDXNWHRSA-N 1 2 269.301 -1.419 20 0 CAADLO COC(=O)[C@H]1C[N@@H+](C)CCN1C(=O)[C@H]1CCC(=O)N1 ZINC001143125820 779768010 /nfs/dbraw/zinc/76/80/10/779768010.db2.gz QNESOLSODRTTPD-RKDXNWHRSA-N 1 2 269.301 -1.419 20 0 CAADLO COC(=O)[C@@H]1C[N@H+](C)CCN1C(=O)[C@@H]1CCC(=O)N1 ZINC001143125819 779768125 /nfs/dbraw/zinc/76/81/25/779768125.db2.gz QNESOLSODRTTPD-IUCAKERBSA-N 1 2 269.301 -1.419 20 0 CAADLO COC(=O)[C@@H]1C[N@@H+](C)CCN1C(=O)[C@@H]1CCC(=O)N1 ZINC001143125819 779768132 /nfs/dbraw/zinc/76/81/32/779768132.db2.gz QNESOLSODRTTPD-IUCAKERBSA-N 1 2 269.301 -1.419 20 0 CAADLO COC(=O)[C@@H]1C[N@H+](C)CCN1C(=O)C1(C(N)=O)CC1 ZINC001143159384 779768208 /nfs/dbraw/zinc/76/82/08/779768208.db2.gz STIMFFUPILAOSS-QMMMGPOBSA-N 1 2 269.301 -1.433 20 0 CAADLO COC(=O)[C@@H]1C[N@@H+](C)CCN1C(=O)C1(C(N)=O)CC1 ZINC001143159384 779768215 /nfs/dbraw/zinc/76/82/15/779768215.db2.gz STIMFFUPILAOSS-QMMMGPOBSA-N 1 2 269.301 -1.433 20 0 CAADLO COC(=O)[C@@H]1C[N@H+](C)CCN1C(=O)[C@H]1CCC(=O)N1 ZINC001143125817 779768543 /nfs/dbraw/zinc/76/85/43/779768543.db2.gz QNESOLSODRTTPD-BDAKNGLRSA-N 1 2 269.301 -1.419 20 0 CAADLO COC(=O)[C@@H]1C[N@@H+](C)CCN1C(=O)[C@H]1CCC(=O)N1 ZINC001143125817 779768544 /nfs/dbraw/zinc/76/85/44/779768544.db2.gz QNESOLSODRTTPD-BDAKNGLRSA-N 1 2 269.301 -1.419 20 0 CAADLO COC(=O)[C@@H]1C[N@H+](C)CCN1C(=O)[C@H]1CNC(=O)C1 ZINC001143292598 779772233 /nfs/dbraw/zinc/77/22/33/779772233.db2.gz LEDWYFZGZPAXQB-BDAKNGLRSA-N 1 2 269.301 -1.562 20 0 CAADLO COC(=O)[C@@H]1C[N@@H+](C)CCN1C(=O)[C@H]1CNC(=O)C1 ZINC001143292598 779772238 /nfs/dbraw/zinc/77/22/38/779772238.db2.gz LEDWYFZGZPAXQB-BDAKNGLRSA-N 1 2 269.301 -1.562 20 0 CAADLO COC(=O)[C@H]1C[N@H+](C)CCN1C(=O)[C@H]1CNC(=O)C1 ZINC001143292601 779772412 /nfs/dbraw/zinc/77/24/12/779772412.db2.gz LEDWYFZGZPAXQB-RKDXNWHRSA-N 1 2 269.301 -1.562 20 0 CAADLO COC(=O)[C@H]1C[N@@H+](C)CCN1C(=O)[C@H]1CNC(=O)C1 ZINC001143292601 779772419 /nfs/dbraw/zinc/77/24/19/779772419.db2.gz LEDWYFZGZPAXQB-RKDXNWHRSA-N 1 2 269.301 -1.562 20 0 CAADLO Cn1c[nH+]cc1[C@@H](CO)NC(=O)Cn1cnc(N)n1 ZINC001149214126 779774805 /nfs/dbraw/zinc/77/48/05/779774805.db2.gz WIUFHLAUTYRXKW-SSDOTTSWSA-N 1 2 265.277 -1.556 20 0 CAADLO CN(C)C(=O)/C=C/C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC001149202482 779775208 /nfs/dbraw/zinc/77/52/08/779775208.db2.gz JHIQWMUUMCTAED-ITKZLYELSA-N 1 2 299.371 -1.218 20 0 CAADLO CS(=O)(=O)CC(=O)NC[C@@H]1C[N@H+](CCO)CCCO1 ZINC001149376100 779775924 /nfs/dbraw/zinc/77/59/24/779775924.db2.gz VIDVCXJSJMYOFF-SNVBAGLBSA-N 1 2 294.373 -1.770 20 0 CAADLO CS(=O)(=O)CC(=O)NC[C@@H]1C[N@@H+](CCO)CCCO1 ZINC001149376100 779775929 /nfs/dbraw/zinc/77/59/29/779775929.db2.gz VIDVCXJSJMYOFF-SNVBAGLBSA-N 1 2 294.373 -1.770 20 0 CAADLO NC(=O)C[N@@H+]1CCCO[C@@H](CNC(=O)Cc2ccon2)C1 ZINC001149458042 779778442 /nfs/dbraw/zinc/77/84/42/779778442.db2.gz MHVDSYCCKLFFJW-NSHDSACASA-N 1 2 296.327 -1.091 20 0 CAADLO NC(=O)C[N@H+]1CCCO[C@@H](CNC(=O)Cc2ccon2)C1 ZINC001149458042 779778446 /nfs/dbraw/zinc/77/84/46/779778446.db2.gz MHVDSYCCKLFFJW-NSHDSACASA-N 1 2 296.327 -1.091 20 0 CAADLO NC(=O)C[N@@H+]1CCCO[C@H](CNC(=O)Cc2cc[nH]n2)C1 ZINC001149466287 779778477 /nfs/dbraw/zinc/77/84/77/779778477.db2.gz RXCHOFWPJIMOBO-LLVKDONJSA-N 1 2 295.343 -1.355 20 0 CAADLO NC(=O)C[N@H+]1CCCO[C@H](CNC(=O)Cc2cc[nH]n2)C1 ZINC001149466287 779778482 /nfs/dbraw/zinc/77/84/82/779778482.db2.gz RXCHOFWPJIMOBO-LLVKDONJSA-N 1 2 295.343 -1.355 20 0 CAADLO NC(=O)C[N@@H+]1CCCO[C@H](CNC(=O)Cc2ccon2)C1 ZINC001149458041 779778881 /nfs/dbraw/zinc/77/88/81/779778881.db2.gz MHVDSYCCKLFFJW-LLVKDONJSA-N 1 2 296.327 -1.091 20 0 CAADLO NC(=O)C[N@H+]1CCCO[C@H](CNC(=O)Cc2ccon2)C1 ZINC001149458041 779778889 /nfs/dbraw/zinc/77/88/89/779778889.db2.gz MHVDSYCCKLFFJW-LLVKDONJSA-N 1 2 296.327 -1.091 20 0 CAADLO CNC(=O)C[N@@H+]1CCCO[C@H](CNC(=O)CC(N)=O)C1 ZINC001149466463 779779182 /nfs/dbraw/zinc/77/91/82/779779182.db2.gz UTDCOGCGPZDPGB-SECBINFHSA-N 1 2 286.332 -2.185 20 0 CAADLO CNC(=O)C[N@H+]1CCCO[C@H](CNC(=O)CC(N)=O)C1 ZINC001149466463 779779185 /nfs/dbraw/zinc/77/91/85/779779185.db2.gz UTDCOGCGPZDPGB-SECBINFHSA-N 1 2 286.332 -2.185 20 0 CAADLO CNC(=O)C[N@@H+]1CCCO[C@@H](CNC(=O)CC(N)=O)C1 ZINC001149466464 779779240 /nfs/dbraw/zinc/77/92/40/779779240.db2.gz UTDCOGCGPZDPGB-VIFPVBQESA-N 1 2 286.332 -2.185 20 0 CAADLO CNC(=O)C[N@H+]1CCCO[C@@H](CNC(=O)CC(N)=O)C1 ZINC001149466464 779779243 /nfs/dbraw/zinc/77/92/43/779779243.db2.gz UTDCOGCGPZDPGB-VIFPVBQESA-N 1 2 286.332 -2.185 20 0 CAADLO Cn1ccc(C[N@@H+]2CCCO[C@H](CNC(=O)C(N)=O)C2)n1 ZINC001150211732 779787491 /nfs/dbraw/zinc/78/74/91/779787491.db2.gz KWSYSAZNIAAXPC-LLVKDONJSA-N 1 2 295.343 -1.388 20 0 CAADLO Cn1ccc(C[N@H+]2CCCO[C@H](CNC(=O)C(N)=O)C2)n1 ZINC001150211732 779787495 /nfs/dbraw/zinc/78/74/95/779787495.db2.gz KWSYSAZNIAAXPC-LLVKDONJSA-N 1 2 295.343 -1.388 20 0 CAADLO Cc1nonc1C[NH2+]CCNC(=O)c1ccc(=O)n(C)n1 ZINC001150142722 779787564 /nfs/dbraw/zinc/78/75/64/779787564.db2.gz ZIKOQHJOKJMVBL-UHFFFAOYSA-N 1 2 292.299 -1.009 20 0 CAADLO O=C(CC[C@@H]1NC(=O)NC1=O)NCC[NH2+]Cc1cnon1 ZINC001150401116 779792989 /nfs/dbraw/zinc/79/29/89/779792989.db2.gz UIIKXPOKNAAMQZ-QMMMGPOBSA-N 1 2 296.287 -1.736 20 0 CAADLO NC(=O)c1nccnc1C(=O)NCC[NH2+]Cc1cnon1 ZINC001150443735 779795364 /nfs/dbraw/zinc/79/53/64/779795364.db2.gz ALQNFDVIFNFBAE-UHFFFAOYSA-N 1 2 291.271 -1.522 20 0 CAADLO C[C@H](C[NH+]1CCOCC1)NC(=O)CC[C@@H]1NC(=O)NC1=O ZINC000046889052 779796783 /nfs/dbraw/zinc/79/67/83/779796783.db2.gz CBVAGYMLZLXZPE-ZJUUUORDSA-N 1 2 298.343 -1.189 20 0 CAADLO CN(CCCn1cc[nH+]c1)C(=O)[C@@H](CO)NC(N)=O ZINC001150511431 779798064 /nfs/dbraw/zinc/79/80/64/779798064.db2.gz UZZDREHOEWEJAT-SECBINFHSA-N 1 2 269.305 -1.239 20 0 CAADLO NC(=O)C[NH2+]CCNC(=O)c1ccc2[nH]nnc2c1 ZINC001150703458 779799508 /nfs/dbraw/zinc/79/95/08/779799508.db2.gz MALOFGRKXNTIMW-UHFFFAOYSA-N 1 2 262.273 -1.237 20 0 CAADLO O=C(CCc1nn[nH]n1)NCC[N@H+]1CC[C@@H](O)C1 ZINC001150929028 779800142 /nfs/dbraw/zinc/80/01/42/779800142.db2.gz PPJVLXYAYZFSKN-MRVPVSSYSA-N 1 2 254.294 -1.685 20 0 CAADLO O=C(CCc1nn[nH]n1)NCC[N@@H+]1CC[C@@H](O)C1 ZINC001150929028 779800152 /nfs/dbraw/zinc/80/01/52/779800152.db2.gz PPJVLXYAYZFSKN-MRVPVSSYSA-N 1 2 254.294 -1.685 20 0 CAADLO O=C(NCC[NH2+]Cc1ncccn1)[C@H]1CCS(=O)(=O)N1 ZINC001151301439 779807898 /nfs/dbraw/zinc/80/78/98/779807898.db2.gz UPDICWDPIOLEPB-SECBINFHSA-N 1 2 299.356 -1.626 20 0 CAADLO Cc1nccc(C(=O)NCC[NH2+]Cc2nc(=O)n(C)[nH]2)n1 ZINC001151306649 779808041 /nfs/dbraw/zinc/80/80/41/779808041.db2.gz NYLSLWFWKJJHNS-UHFFFAOYSA-N 1 2 291.315 -1.274 20 0 CAADLO C[N@@H+]1CCN(C(=O)c2ccc(C(N)=O)[nH]2)C[C@@H]1CO ZINC001151358919 779809213 /nfs/dbraw/zinc/80/92/13/779809213.db2.gz KBWSAEWYPYOINM-MRVPVSSYSA-N 1 2 266.301 -1.138 20 0 CAADLO C[N@H+]1CCN(C(=O)c2ccc(C(N)=O)[nH]2)C[C@@H]1CO ZINC001151358919 779809218 /nfs/dbraw/zinc/80/92/18/779809218.db2.gz KBWSAEWYPYOINM-MRVPVSSYSA-N 1 2 266.301 -1.138 20 0 CAADLO COCC[C@@H](C)C(=O)NCC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001151524510 779811559 /nfs/dbraw/zinc/81/15/59/779811559.db2.gz NDSHDANDEZKPGM-SECBINFHSA-N 1 2 285.348 -1.013 20 0 CAADLO CN(C)[C@H](C(=O)N[C@@H]1CCC(=O)NC1=O)c1c[nH+]cn1C ZINC001151525779 779811615 /nfs/dbraw/zinc/81/16/15/779811615.db2.gz FFQMEKXANAHNLN-KCJUWKMLSA-N 1 2 293.327 -1.056 20 0 CAADLO CN(C)[C@@H](C(=O)N[C@@H]1CCC(=O)NC1=O)c1c[nH+]cn1C ZINC001151525847 779811663 /nfs/dbraw/zinc/81/16/63/779811663.db2.gz FFQMEKXANAHNLN-LDYMZIIASA-N 1 2 293.327 -1.056 20 0 CAADLO CNC(=O)NC(C)(C)C(=O)NCC[NH2+]Cc1cnon1 ZINC001152283118 779821404 /nfs/dbraw/zinc/82/14/04/779821404.db2.gz UCUFTIKDKMNOCZ-UHFFFAOYSA-N 1 2 284.320 -1.017 20 0 CAADLO CCS(=O)(=O)CC(=O)NCC[NH2+]Cc1nncn1C ZINC001152384271 779823199 /nfs/dbraw/zinc/82/31/99/779823199.db2.gz PBLPGZZXYJKNNI-UHFFFAOYSA-N 1 2 289.361 -1.544 20 0 CAADLO COC[C@](C)(O)C(=O)N[C@H](CO)Cc1c[nH]c[nH+]1 ZINC001152491039 779825769 /nfs/dbraw/zinc/82/57/69/779825769.db2.gz ZOFZTOIPRLXIKS-ONGXEEELSA-N 1 2 257.290 -1.173 20 0 CAADLO COC[C@](C)(O)C(=O)N[C@H](CO)Cc1c[nH+]c[nH]1 ZINC001152491039 779825774 /nfs/dbraw/zinc/82/57/74/779825774.db2.gz ZOFZTOIPRLXIKS-ONGXEEELSA-N 1 2 257.290 -1.173 20 0 CAADLO CN1CC[C@H](C(=O)N[C@H](CO)Cc2c[nH]c[nH+]2)C1=O ZINC001152489775 779826239 /nfs/dbraw/zinc/82/62/39/779826239.db2.gz ASJDIQYNXOPWIA-VHSXEESVSA-N 1 2 266.301 -1.092 20 0 CAADLO CN1CC[C@H](C(=O)N[C@H](CO)Cc2c[nH+]c[nH]2)C1=O ZINC001152489775 779826245 /nfs/dbraw/zinc/82/62/45/779826245.db2.gz ASJDIQYNXOPWIA-VHSXEESVSA-N 1 2 266.301 -1.092 20 0 CAADLO Cc1nnc(C[NH2+]CCNC(=O)c2cn(C)c(=O)n2C)o1 ZINC001152691437 779828550 /nfs/dbraw/zinc/82/85/50/779828550.db2.gz NNFIHLCULKFSII-UHFFFAOYSA-N 1 2 294.315 -1.065 20 0 CAADLO Cc1nonc1C[NH2+]CCNC(=O)c1cn(C)c(=O)n1C ZINC001152691889 779829103 /nfs/dbraw/zinc/82/91/03/779829103.db2.gz VSDUPZZJXDSBCW-UHFFFAOYSA-N 1 2 294.315 -1.065 20 0 CAADLO Cn1nnc2c(C(=O)N3CC[NH+](C)CC3)ncn2c1=O ZINC001152743798 779829233 /nfs/dbraw/zinc/82/92/33/779829233.db2.gz PKMWABYZDCXAEV-UHFFFAOYSA-N 1 2 277.288 -1.789 20 0 CAADLO [NH3+][C@@H]1NCN(C(=O)c2[nH]nc3cccnc32)[C@@H]2NCN[C@H]21 ZINC001153165482 779836395 /nfs/dbraw/zinc/83/63/95/779836395.db2.gz GDHHITFIQWJXTA-AXFHLTTASA-N 1 2 288.315 -1.909 20 0 CAADLO CC[N@H+](CC(N)=O)[C@H](C)CNC(=O)Cc1n[nH]c(C)n1 ZINC001153253010 779837120 /nfs/dbraw/zinc/83/71/20/779837120.db2.gz PKDMUKXWANQCAX-MRVPVSSYSA-N 1 2 282.348 -1.032 20 0 CAADLO CC[N@@H+](CC(N)=O)[C@H](C)CNC(=O)Cc1n[nH]c(C)n1 ZINC001153253010 779837126 /nfs/dbraw/zinc/83/71/26/779837126.db2.gz PKDMUKXWANQCAX-MRVPVSSYSA-N 1 2 282.348 -1.032 20 0 CAADLO Cn1nnc(CNCCNC(=O)Cn2cc[nH+]c2)n1 ZINC001153487961 779841179 /nfs/dbraw/zinc/84/11/79/779841179.db2.gz WALHXHWHHUBUGG-UHFFFAOYSA-N 1 2 264.293 -1.687 20 0 CAADLO Cc1nonc1C(=O)NCC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001153559923 779842790 /nfs/dbraw/zinc/84/27/90/779842790.db2.gz FCVONQRGIUNRBO-UHFFFAOYSA-N 1 2 281.276 -1.681 20 0 CAADLO C[C@@H](C(=O)NCC[NH2+]Cc1cnon1)N1CCOCC1 ZINC001153845295 779848581 /nfs/dbraw/zinc/84/85/81/779848581.db2.gz XUPNJGOLRDHUIM-JTQLQIEISA-N 1 2 283.332 -1.004 20 0 CAADLO CC[N@H+](CC(=O)NC(N)=O)[C@H](C)CNC(=O)c1cn[nH]n1 ZINC001154134381 779854169 /nfs/dbraw/zinc/85/41/69/779854169.db2.gz BGIZQZOPXJMAQT-SSDOTTSWSA-N 1 2 297.319 -1.560 20 0 CAADLO CC[N@@H+](CC(=O)NC(N)=O)[C@H](C)CNC(=O)c1cn[nH]n1 ZINC001154134381 779854174 /nfs/dbraw/zinc/85/41/74/779854174.db2.gz BGIZQZOPXJMAQT-SSDOTTSWSA-N 1 2 297.319 -1.560 20 0 CAADLO CC[N@@H+](CC(=O)NC(N)=O)[C@H](C)CNC(=O)c1cnn[nH]1 ZINC001154134381 779854183 /nfs/dbraw/zinc/85/41/83/779854183.db2.gz BGIZQZOPXJMAQT-SSDOTTSWSA-N 1 2 297.319 -1.560 20 0 CAADLO Cn1nnc(C[NH2+]CCCNC(=O)c2cnccn2)n1 ZINC001154264844 779855037 /nfs/dbraw/zinc/85/50/37/779855037.db2.gz VJZZPKGLOASWIH-UHFFFAOYSA-N 1 2 276.304 -1.090 20 0 CAADLO CCc1nc(C[NH2+]CCCNC(=O)Cn2cnnn2)no1 ZINC001154499677 779859788 /nfs/dbraw/zinc/85/97/88/779859788.db2.gz SEYPHLHGZMSZSK-UHFFFAOYSA-N 1 2 294.319 -1.085 20 0 CAADLO Cn1nnc(C[NH2+]CCCNC(=O)Cn2cnnn2)n1 ZINC001154502615 779861077 /nfs/dbraw/zinc/86/10/77/779861077.db2.gz HNESNOONYDAXOH-UHFFFAOYSA-N 1 2 280.296 -2.507 20 0 CAADLO Cn1nnc(C[NH2+]CCCNC(=O)Cn2cccn2)n1 ZINC001154607739 779864011 /nfs/dbraw/zinc/86/40/11/779864011.db2.gz FAAXCKWYPHNRIO-UHFFFAOYSA-N 1 2 278.320 -1.297 20 0 CAADLO O=C(Cc1c[nH+]c[nH]1)N1CC2(C1)C[C@H](O)CNC2=O ZINC001154867457 779866086 /nfs/dbraw/zinc/86/60/86/779866086.db2.gz UBMOUQFQRVHCPB-VIFPVBQESA-N 1 2 264.285 -1.338 20 0 CAADLO C[C@@H]1CN(C(=O)c2cnnn2C)CC[N@@H+]1CCO ZINC001155027329 779868453 /nfs/dbraw/zinc/86/84/53/779868453.db2.gz YKLOCHINTBQXJI-SECBINFHSA-N 1 2 253.306 -1.046 20 0 CAADLO C[C@@H]1CN(C(=O)c2cnnn2C)CC[N@H+]1CCO ZINC001155027329 779868467 /nfs/dbraw/zinc/86/84/67/779868467.db2.gz YKLOCHINTBQXJI-SECBINFHSA-N 1 2 253.306 -1.046 20 0 CAADLO COC(=O)NCC(=O)NCCC[NH2+]Cc1nnn(C)n1 ZINC001155129111 779869775 /nfs/dbraw/zinc/86/97/75/779869775.db2.gz ASIAKDKPISSXRT-UHFFFAOYSA-N 1 2 285.308 -1.838 20 0 CAADLO Cn1nnc(C[NH2+]CCCNC(=O)c2cnns2)n1 ZINC001155113571 779870565 /nfs/dbraw/zinc/87/05/65/779870565.db2.gz NBQNETWXPURLGU-UHFFFAOYSA-N 1 2 282.333 -1.029 20 0 CAADLO Cn1nnc(C[NH2+]CCCNC(=O)CS(C)(=O)=O)n1 ZINC001155301243 779872100 /nfs/dbraw/zinc/87/21/00/779872100.db2.gz FFQAHEJRDGJYNQ-UHFFFAOYSA-N 1 2 290.349 -2.149 20 0 CAADLO Cn1nnc(C[NH2+]CCCNC(=O)c2ccnn2C)n1 ZINC001155480989 779872625 /nfs/dbraw/zinc/87/26/25/779872625.db2.gz ZGURKKONQDSNGY-UHFFFAOYSA-N 1 2 278.320 -1.147 20 0 CAADLO Cn1nnc(C[NH2+]CCCNC(=O)[C@H]2CCC(=O)N2)n1 ZINC001155740872 779876185 /nfs/dbraw/zinc/87/61/85/779876185.db2.gz HCBCRMPHIFQRFT-MRVPVSSYSA-N 1 2 281.320 -1.915 20 0 CAADLO COCCOCC(=O)NCCC[NH2+]Cc1nnn(C)n1 ZINC001155868240 779879116 /nfs/dbraw/zinc/87/91/16/779879116.db2.gz PYBUCFOZOHEYIY-UHFFFAOYSA-N 1 2 286.336 -1.531 20 0 CAADLO CC[N@H+](CC(=O)NC)[C@H](C)CNC(=O)c1nnc[nH]1 ZINC001155906185 779879444 /nfs/dbraw/zinc/87/94/44/779879444.db2.gz ZRTPSCAPUATQFJ-MRVPVSSYSA-N 1 2 268.321 -1.009 20 0 CAADLO CC[N@@H+](CC(=O)NC)[C@H](C)CNC(=O)c1nnc[nH]1 ZINC001155906185 779879454 /nfs/dbraw/zinc/87/94/54/779879454.db2.gz ZRTPSCAPUATQFJ-MRVPVSSYSA-N 1 2 268.321 -1.009 20 0 CAADLO CC[N@H+](CC(=O)NC)[C@H](C)CNC(=O)c1ncn[nH]1 ZINC001155906185 779879460 /nfs/dbraw/zinc/87/94/60/779879460.db2.gz ZRTPSCAPUATQFJ-MRVPVSSYSA-N 1 2 268.321 -1.009 20 0 CAADLO CC[N@@H+](CC(=O)NC)[C@H](C)CNC(=O)c1ncn[nH]1 ZINC001155906185 779879468 /nfs/dbraw/zinc/87/94/68/779879468.db2.gz ZRTPSCAPUATQFJ-MRVPVSSYSA-N 1 2 268.321 -1.009 20 0 CAADLO CC[N@H+](CC(=O)NC)[C@H](C)CNC(=O)c1nc[nH]n1 ZINC001155906185 779879473 /nfs/dbraw/zinc/87/94/73/779879473.db2.gz ZRTPSCAPUATQFJ-MRVPVSSYSA-N 1 2 268.321 -1.009 20 0 CAADLO CC[N@@H+](CC(=O)NC)[C@H](C)CNC(=O)c1nc[nH]n1 ZINC001155906185 779879480 /nfs/dbraw/zinc/87/94/80/779879480.db2.gz ZRTPSCAPUATQFJ-MRVPVSSYSA-N 1 2 268.321 -1.009 20 0 CAADLO COCCc1nc(C[NH2+]CCCNC(=O)CC(N)=O)no1 ZINC001156025426 779881785 /nfs/dbraw/zinc/88/17/85/779881785.db2.gz PRLVGKYEMBKINT-UHFFFAOYSA-N 1 2 299.331 -1.270 20 0 CAADLO Cn1nnc(C[NH2+]CCCNC(=O)CC(N)=O)n1 ZINC001156011965 779881858 /nfs/dbraw/zinc/88/18/58/779881858.db2.gz JQYGJJUNKASHSW-UHFFFAOYSA-N 1 2 255.282 -2.319 20 0 CAADLO CC[N@H+](CC(N)=O)[C@H](C)CNC(=O)Cc1nnc[nH]1 ZINC001156288223 779884640 /nfs/dbraw/zinc/88/46/40/779884640.db2.gz AXVXDOYNMNWKOQ-MRVPVSSYSA-N 1 2 268.321 -1.341 20 0 CAADLO CC[N@@H+](CC(N)=O)[C@H](C)CNC(=O)Cc1nnc[nH]1 ZINC001156288223 779884643 /nfs/dbraw/zinc/88/46/43/779884643.db2.gz AXVXDOYNMNWKOQ-MRVPVSSYSA-N 1 2 268.321 -1.341 20 0 CAADLO Cn1nnc(C[NH2+]CCCNC(=O)C[C@H]2COC(=O)C2)n1 ZINC001156578366 779886848 /nfs/dbraw/zinc/88/68/48/779886848.db2.gz DRMRKKUAJGTYIA-SECBINFHSA-N 1 2 296.331 -1.241 20 0 CAADLO Cn1nnc(C[NH2+]CCCNC(=O)[C@H]2CCNC(=O)C2)n1 ZINC001156517572 779887498 /nfs/dbraw/zinc/88/74/98/779887498.db2.gz WQTPZNVHWBHKET-VIFPVBQESA-N 1 2 295.347 -1.668 20 0 CAADLO C[C@H](C(=O)NCCC[NH2+]Cc1nnn(C)n1)n1cncn1 ZINC001156792201 779889433 /nfs/dbraw/zinc/88/94/33/779889433.db2.gz VQNOKMDNOCBCQJ-SECBINFHSA-N 1 2 293.335 -1.341 20 0 CAADLO Cn1nnc(C[NH2+]CCCNC(=O)[C@H]2COCCN2C)n1 ZINC001156799010 779889881 /nfs/dbraw/zinc/88/98/81/779889881.db2.gz IVKGADRGANNEPZ-SNVBAGLBSA-N 1 2 297.363 -1.863 20 0 CAADLO CCNC(=O)CC(=O)NCCC[NH2+]Cc1nnn(C)n1 ZINC001156857074 779890747 /nfs/dbraw/zinc/89/07/47/779890747.db2.gz AMMNVVMOUTYOAQ-UHFFFAOYSA-N 1 2 283.336 -1.668 20 0 CAADLO Cn1nnc(C[NH2+]CCCNC(=O)CN2CN=NC2=O)n1 ZINC001156879889 779891543 /nfs/dbraw/zinc/89/15/43/779891543.db2.gz VDUXDBIEXUCIFD-UHFFFAOYSA-N 1 2 295.307 -2.197 20 0 CAADLO Cn1nnc(C[NH2+]CCCNC(=O)c2cncnc2)n1 ZINC001156981961 779892724 /nfs/dbraw/zinc/89/27/24/779892724.db2.gz UUSYSKAYXDTRPO-UHFFFAOYSA-N 1 2 276.304 -1.090 20 0 CAADLO Cn1nnc(C[NH2+]CCCNC(=O)CC2OCCCO2)n1 ZINC001157060614 779895143 /nfs/dbraw/zinc/89/51/43/779895143.db2.gz JSSZKSTXFMAPLF-UHFFFAOYSA-N 1 2 298.347 -1.041 20 0 CAADLO OCC(CO)(CO)Nc1ccc(Cn2cncn2)c[nH+]1 ZINC001157151250 779896981 /nfs/dbraw/zinc/89/69/81/779896981.db2.gz QWTDUDGHVMEYGO-UHFFFAOYSA-N 1 2 279.300 -1.151 20 0 CAADLO Cn1nnc(C[NH2+]CCCNC(=O)CC(C)(C)O)n1 ZINC001157265163 779898144 /nfs/dbraw/zinc/89/81/44/779898144.db2.gz NGWPDWHTVPWLQB-UHFFFAOYSA-N 1 2 270.337 -1.033 20 0 CAADLO Cn1nnc(C[NH2+]CCCNC(=O)Cc2cncnc2)n1 ZINC001157237189 779898229 /nfs/dbraw/zinc/89/82/29/779898229.db2.gz NWRIXGDUXOTUCA-UHFFFAOYSA-N 1 2 290.331 -1.161 20 0 CAADLO CCOC(=O)c1cn[nH]c1CNC(=O)[C@@H]1C[NH2+]CCN1 ZINC001157448828 779902891 /nfs/dbraw/zinc/90/28/91/779902891.db2.gz LKNMSWAXMZVHQB-JTQLQIEISA-N 1 2 281.316 -1.236 20 0 CAADLO CN1CCN(C(=O)[C@@H]([NH3+])Cc2nn[nH]n2)CC1=O ZINC001157485758 779904746 /nfs/dbraw/zinc/90/47/46/779904746.db2.gz ORBFOSHONDDKQU-LURJTMIESA-N 1 2 253.266 -2.630 20 0 CAADLO Cn1cnc(C(=O)NCCC[NH2+]Cc2nnn(C)n2)n1 ZINC001157493365 779905339 /nfs/dbraw/zinc/90/53/39/779905339.db2.gz HMIXXUYKCYGHRC-UHFFFAOYSA-N 1 2 279.308 -1.752 20 0 CAADLO CNC(=O)C1CCN(C(=O)C[C@H]([NH3+])C(=O)OC)CC1 ZINC001157494856 779905955 /nfs/dbraw/zinc/90/59/55/779905955.db2.gz CHFXHONPQRLTBL-VIFPVBQESA-N 1 2 271.317 -1.139 20 0 CAADLO COC(=O)[C@@H]([NH3+])CC(=O)N1CCn2cnnc2C1 ZINC001157506989 779906685 /nfs/dbraw/zinc/90/66/85/779906685.db2.gz CQYUOSIMYVYDPO-ZETCQYMHSA-N 1 2 253.262 -1.489 20 0 CAADLO Cn1nnc(C[NH2+]CCCNC(=O)c2ncc[nH]2)n1 ZINC001157628713 779909421 /nfs/dbraw/zinc/90/94/21/779909421.db2.gz PENKKBWXSGDZFB-UHFFFAOYSA-N 1 2 264.293 -1.157 20 0 CAADLO CN(Cc1ncccn1)C(=O)[C@@H]([NH3+])Cc1nn[nH]n1 ZINC001157681022 779910349 /nfs/dbraw/zinc/91/03/49/779910349.db2.gz BZACVALNOHCOBY-ZETCQYMHSA-N 1 2 262.277 -1.482 20 0 CAADLO [NH3+][C@@H](Cc1nn[nH]n1)C(=O)N1CC(F)(F)CC[C@H]1CO ZINC001157730602 779912638 /nfs/dbraw/zinc/91/26/38/779912638.db2.gz NHIIIVLYJBIPEK-BQBZGAKWSA-N 1 2 290.274 -1.312 20 0 CAADLO [NH3+][C@@H](Cc1nn[nH]n1)C(=O)N1C[C@H](CO)CC(F)(F)C1 ZINC001157900005 779916255 /nfs/dbraw/zinc/91/62/55/779916255.db2.gz DHWXIJWYKDASKM-RQJHMYQMSA-N 1 2 290.274 -1.454 20 0 CAADLO Cn1nnc(C[NH2+]CCCNC(=O)CO[C@H]2CCOC2)n1 ZINC001157932438 779917301 /nfs/dbraw/zinc/91/73/01/779917301.db2.gz NZCUMGCXHDJFGN-JTQLQIEISA-N 1 2 298.347 -1.389 20 0 CAADLO [NH3+][C@@H](Cc1nn[nH]n1)C(=O)N1CC[C@@H](O)[C@H](CO)C1 ZINC001157935863 779918590 /nfs/dbraw/zinc/91/85/90/779918590.db2.gz WXSCUDLEQNAFNM-BIIVOSGPSA-N 1 2 270.293 -2.729 20 0 CAADLO Cc1nc(N(C)C)nc(-n2[nH]c(=O)nc2C[NH3+])n1 ZINC001157934241 779918776 /nfs/dbraw/zinc/91/87/76/779918776.db2.gz UVFPNSILFMOWSQ-UHFFFAOYSA-N 1 2 250.266 -1.009 20 0 CAADLO C[C@@H]1C(=O)Nc2cnc(-n3[nH]c(=O)nc3C[NH3+])nc2N1C ZINC001157933539 779918898 /nfs/dbraw/zinc/91/88/98/779918898.db2.gz FDIPCIIDUNSSEC-RXMQYKEDSA-N 1 2 290.287 -1.002 20 0 CAADLO [NH3+][C@@H](Cc1nn[nH]n1)C(=O)N1CCNCC(F)(F)C1 ZINC001157935537 779919118 /nfs/dbraw/zinc/91/91/18/779919118.db2.gz DIVXVCVABSEAFS-LURJTMIESA-N 1 2 275.263 -1.863 20 0 CAADLO C[C@@H](CC(=O)NCCC[NH2+]Cc1nnn(C)n1)NC(N)=O ZINC001157939565 779919571 /nfs/dbraw/zinc/91/95/71/779919571.db2.gz RDOIIAHGAZTJKA-QMMMGPOBSA-N 1 2 298.351 -1.747 20 0 CAADLO COC(=O)[C@@H]([NH3+])CC(=O)N1CC[C@H](O)[C@](C)(CO)C1 ZINC001157947615 779920897 /nfs/dbraw/zinc/92/08/97/779920897.db2.gz VUAFPNYNWRNLOI-AUTRQRHGSA-N 1 2 274.317 -1.531 20 0 CAADLO CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)C[C@H](N)C(=O)OC ZINC001158000735 779923919 /nfs/dbraw/zinc/92/39/19/779923919.db2.gz ZDLCYEFUXLEGGC-DTWKUNHWSA-N 1 2 287.316 -1.760 20 0 CAADLO COC(=O)[C@@H]1C[C@H](F)CN1C(=O)[C@@H]([NH3+])Cc1nn[nH]n1 ZINC001158016370 779924963 /nfs/dbraw/zinc/92/49/63/779924963.db2.gz WXDBATCCJDRXFL-ACZMJKKPSA-N 1 2 286.267 -1.819 20 0 CAADLO CCc1nc(C[NH2+]CCCNC(=O)Cn2ncnn2)no1 ZINC001158162844 779928611 /nfs/dbraw/zinc/92/86/11/779928611.db2.gz BUVUELPIGFWRJD-UHFFFAOYSA-N 1 2 294.319 -1.085 20 0 CAADLO C[N@@H+](CC(N)=O)C[C@H]1CCCCN1C(=O)C(N)=O ZINC001158411733 779933761 /nfs/dbraw/zinc/93/37/61/779933761.db2.gz HTISKEXTWMNDFN-MRVPVSSYSA-N 1 2 256.306 -1.730 20 0 CAADLO C[N@H+](CC(N)=O)C[C@H]1CCCCN1C(=O)C(N)=O ZINC001158411733 779933763 /nfs/dbraw/zinc/93/37/63/779933763.db2.gz HTISKEXTWMNDFN-MRVPVSSYSA-N 1 2 256.306 -1.730 20 0 CAADLO NC(=O)[C@@H](CO)Nc1cc(N2CCOCC2)nc[nH+]1 ZINC001158436743 779935238 /nfs/dbraw/zinc/93/52/38/779935238.db2.gz KHFIEIQPIKZQOT-MRVPVSSYSA-N 1 2 267.289 -1.429 20 0 CAADLO NC(=O)[C@@H](CO)Nc1cc(N2CCOCC2)[nH+]cn1 ZINC001158436743 779935240 /nfs/dbraw/zinc/93/52/40/779935240.db2.gz KHFIEIQPIKZQOT-MRVPVSSYSA-N 1 2 267.289 -1.429 20 0 CAADLO NC(=O)[C@H](CO)Nc1cc(N2CCC[C@@H]2C(N)=O)nc[nH+]1 ZINC001158442888 779935700 /nfs/dbraw/zinc/93/57/00/779935700.db2.gz DLCSCRZFVKESNJ-JGVFFNPUSA-N 1 2 294.315 -1.811 20 0 CAADLO NC(=O)[C@H](CO)Nc1cc(N2CCC[C@@H]2C(N)=O)[nH+]cn1 ZINC001158442888 779935711 /nfs/dbraw/zinc/93/57/11/779935711.db2.gz DLCSCRZFVKESNJ-JGVFFNPUSA-N 1 2 294.315 -1.811 20 0 CAADLO NC(=O)[C@@H](CO)Nc1cc(N2CCC[C@@H]2C(N)=O)nc[nH+]1 ZINC001158442886 779936013 /nfs/dbraw/zinc/93/60/13/779936013.db2.gz DLCSCRZFVKESNJ-HTQZYQBOSA-N 1 2 294.315 -1.811 20 0 CAADLO NC(=O)[C@@H](CO)Nc1cc(N2CCC[C@@H]2C(N)=O)[nH+]cn1 ZINC001158442886 779936014 /nfs/dbraw/zinc/93/60/14/779936014.db2.gz DLCSCRZFVKESNJ-HTQZYQBOSA-N 1 2 294.315 -1.811 20 0 CAADLO CCOC(=O)[C@@]12C[C@@H]1CCN2C(=O)[C@@H]([NH3+])Cc1nn[nH]n1 ZINC001158523481 779937119 /nfs/dbraw/zinc/93/71/19/779937119.db2.gz HMXZGDRIPSUURR-YVZVNANGSA-N 1 2 294.315 -1.376 20 0 CAADLO Cc1c(F)cc[nH+]c1N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O ZINC001158977937 779943273 /nfs/dbraw/zinc/94/32/73/779943273.db2.gz LJCUPPWRTKDLAF-SANCVJEGSA-N 1 2 288.275 -1.259 20 0 CAADLO Cn1nnc(C[NH2+]CCCNC(=O)[C@@H]2CCCNC2=O)n1 ZINC001160434605 779959658 /nfs/dbraw/zinc/95/96/58/779959658.db2.gz SQIKMDLAAYSFFX-SECBINFHSA-N 1 2 295.347 -1.668 20 0 CAADLO NC(=O)N1CCN(C(=O)[C@@H]([NH3+])Cc2nn[nH]n2)CC1 ZINC001160456102 779961076 /nfs/dbraw/zinc/96/10/76/779961076.db2.gz BFHXAUHZWCTKSN-LURJTMIESA-N 1 2 268.281 -2.708 20 0 CAADLO COC(=O)[C@@H]([NH3+])CC(=O)N1CCC2(C1)OCCO2 ZINC001160470728 779961622 /nfs/dbraw/zinc/96/16/22/779961622.db2.gz FUOZPOYUAICEQV-QMMMGPOBSA-N 1 2 258.274 -1.148 20 0 CAADLO COC(=O)[C@@H]([NH3+])CC(=O)N1CCNC(=O)C1(C)C ZINC001160477882 779962194 /nfs/dbraw/zinc/96/21/94/779962194.db2.gz FZHDHDNYWSCUBJ-ZETCQYMHSA-N 1 2 257.290 -1.386 20 0 CAADLO COC(=O)CN1CCN(C(=O)C[C@H]([NH3+])C(=O)OC)CC1 ZINC001160530944 779965278 /nfs/dbraw/zinc/96/52/78/779965278.db2.gz AZLLYSHYVSOBBP-VIFPVBQESA-N 1 2 287.316 -1.806 20 0 CAADLO [NH3+][C@@H](Cc1nn[nH]n1)C(=O)N1CCCC12COC2 ZINC001160542015 779965535 /nfs/dbraw/zinc/96/55/35/779965535.db2.gz MAIWYFXDSKBSBA-ZETCQYMHSA-N 1 2 252.278 -1.539 20 0 CAADLO COC(=O)CN1CCN(C(=O)[C@@H]([NH3+])Cc2nn[nH]n2)CC1 ZINC001160530927 779965783 /nfs/dbraw/zinc/96/57/83/779965783.db2.gz ANQURJIMHQDEDX-QMMMGPOBSA-N 1 2 297.319 -2.613 20 0 CAADLO Cn1nnc(C[NH2+]CCCNC(=O)[C@H]2CCCC(=O)N2)n1 ZINC001160571921 779967295 /nfs/dbraw/zinc/96/72/95/779967295.db2.gz YMXDTMYCSVQLGU-SECBINFHSA-N 1 2 295.347 -1.525 20 0 CAADLO [NH3+][C@@H](Cc1nn[nH]n1)C(=O)N1CCC[C@H](CCO)C1 ZINC001160612400 779968367 /nfs/dbraw/zinc/96/83/67/779968367.db2.gz ZBHDVMLINYBGDE-BDAKNGLRSA-N 1 2 268.321 -1.310 20 0 CAADLO CCOC(=O)[C@H]1CN(C(=O)[C@@H]([NH3+])Cc2nn[nH]n2)CCO1 ZINC001160597526 779968807 /nfs/dbraw/zinc/96/88/07/779968807.db2.gz SXHXKEBCVHXTHG-JGVFFNPUSA-N 1 2 298.303 -2.140 20 0 CAADLO [NH3+][C@@H](Cc1nn[nH]n1)C(=O)N1CCC[C@H](n2cncn2)C1 ZINC001160636053 779969312 /nfs/dbraw/zinc/96/93/12/779969312.db2.gz FOPSQXDNRIBSIT-IUCAKERBSA-N 1 2 291.319 -1.475 20 0 CAADLO [NH3+][C@@H](Cc1nn[nH]n1)C(=O)N1CCC[C@@H](CCO)C1 ZINC001160612402 779969705 /nfs/dbraw/zinc/96/97/05/779969705.db2.gz ZBHDVMLINYBGDE-IUCAKERBSA-N 1 2 268.321 -1.310 20 0 CAADLO COC(=O)[C@@]1(C)CCCN(C(=O)[C@@H]([NH3+])Cc2nn[nH]n2)C1 ZINC001160634789 779969835 /nfs/dbraw/zinc/96/98/35/779969835.db2.gz DPQAPMWICJXNOC-UFBFGSQYSA-N 1 2 296.331 -1.129 20 0 CAADLO C[C@H]1CC(=O)CCN1C(=O)[C@@H]([NH3+])Cc1nn[nH]n1 ZINC001160643124 779972766 /nfs/dbraw/zinc/97/27/66/779972766.db2.gz ZENGFVLMQOBNDM-XPUUQOCRSA-N 1 2 252.278 -1.351 20 0 CAADLO CO[C@@H]1CCCN(C(=O)[C@@H]([NH3+])Cc2nn[nH]n2)C1 ZINC001160647221 779974144 /nfs/dbraw/zinc/97/41/44/779974144.db2.gz BEUGYPZLGYKICX-SFYZADRCSA-N 1 2 254.294 -1.293 20 0 CAADLO CN(Cc1ccon1)C(=O)[C@@H]([NH3+])Cc1nn[nH]n1 ZINC001160689100 779977209 /nfs/dbraw/zinc/97/72/09/779977209.db2.gz VAZIBJCVTRFJNP-ZETCQYMHSA-N 1 2 251.250 -1.284 20 0 CAADLO CC(C)[C@H]1COCCN1C(=O)[C@@H]([NH3+])Cc1nn[nH]n1 ZINC001160669807 779977497 /nfs/dbraw/zinc/97/74/97/779977497.db2.gz MOSVGHHMKLCBKD-DTWKUNHWSA-N 1 2 268.321 -1.047 20 0 CAADLO [NH3+][C@@H](Cc1nn[nH]n1)C(=O)N1CCC(n2cnnc2)CC1 ZINC001160718639 779980251 /nfs/dbraw/zinc/98/02/51/779980251.db2.gz OUDKVSAHGJMPFM-VIFPVBQESA-N 1 2 291.319 -1.475 20 0 CAADLO COC(=O)[C@@H]1CN(C(=O)[C@@H]([NH3+])Cc2nn[nH]n2)CCN1C ZINC001160871403 779985662 /nfs/dbraw/zinc/98/56/62/779985662.db2.gz UQXMKGAMWVXTFA-YUMQZZPRSA-N 1 2 297.319 -2.615 20 0 CAADLO C[C@H]1CN(C)C(=O)CN1C(=O)[C@@H]([NH3+])Cc1nn[nH]n1 ZINC001160940328 779988154 /nfs/dbraw/zinc/98/81/54/779988154.db2.gz BICCGSVKKKOXIH-BQBZGAKWSA-N 1 2 267.293 -2.241 20 0 CAADLO [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC(O)([C@@H]2CCCC[NH2+]2)C1 ZINC001161000324 779988902 /nfs/dbraw/zinc/98/89/02/779988902.db2.gz RWZPYMOROWQLSH-NEPJUHHUSA-N 1 2 293.371 -1.005 20 0 CAADLO CCOC(=O)[C@@H]1COCCN1C(=O)C[C@H]([NH3+])C(=O)OC ZINC001161093418 779995348 /nfs/dbraw/zinc/99/53/48/779995348.db2.gz NOBYLIHUIRICLZ-IUCAKERBSA-N 1 2 288.300 -1.333 20 0 CAADLO Cn1ncc(C[N@H+]2CC=C(CCNC(=O)C(N)=O)CC2)n1 ZINC001161096220 779996222 /nfs/dbraw/zinc/99/62/22/779996222.db2.gz FRWCLLITFFAMOG-UHFFFAOYSA-N 1 2 292.343 -1.061 20 0 CAADLO Cn1ncc(C[N@@H+]2CC=C(CCNC(=O)C(N)=O)CC2)n1 ZINC001161096220 779996229 /nfs/dbraw/zinc/99/62/29/779996229.db2.gz FRWCLLITFFAMOG-UHFFFAOYSA-N 1 2 292.343 -1.061 20 0 CAADLO COC(=O)[C@@]1([NH3+])CCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001161138032 779997295 /nfs/dbraw/zinc/99/72/95/779997295.db2.gz LFCJIHUZQHWYTP-QUBYGPBYSA-N 1 2 256.262 -2.229 20 0 CAADLO COC(=O)[C@]1([NH3+])CCN(C(=O)Cn2cccc(N)c2=O)C1 ZINC001161138348 779997398 /nfs/dbraw/zinc/99/73/98/779997398.db2.gz SMKKNNJWKGHTEM-ZDUSSCGKSA-N 1 2 294.311 -1.467 20 0 CAADLO COC(=O)[C@@]1([NH3+])CCN(C(=O)Cn2cccc(N)c2=O)C1 ZINC001161138347 779997764 /nfs/dbraw/zinc/99/77/64/779997764.db2.gz SMKKNNJWKGHTEM-CYBMUJFWSA-N 1 2 294.311 -1.467 20 0 CAADLO COC(=O)[C@@H]1CCCN(C(=O)[C@@H]([NH3+])Cc2nn[nH]n2)[C@@H]1C ZINC001161117299 779997959 /nfs/dbraw/zinc/99/79/59/779997959.db2.gz FHMBLSJHICOLOF-HLTSFMKQSA-N 1 2 296.331 -1.130 20 0 CAADLO CO[C@H](C)C1CN(C(=O)[C@@H]([NH3+])Cc2nn[nH]n2)C1 ZINC001161147073 779999253 /nfs/dbraw/zinc/99/92/53/779999253.db2.gz UWVZKGVBCXWBJK-SVRRBLITSA-N 1 2 254.294 -1.437 20 0 CAADLO COC(=O)[C@@]1(C)COCCN1C(=O)[C@@H]([NH3+])Cc1nn[nH]n1 ZINC001161374484 780011037 /nfs/dbraw/zinc/01/10/37/780011037.db2.gz VTSSRSHAJSPMSL-WRWORJQWSA-N 1 2 298.303 -2.140 20 0 CAADLO C[N@H+](C1CN(C(=O)[C@@H]2COCN2)C1)[C@H]1CCOC1 ZINC001161498568 780017617 /nfs/dbraw/zinc/01/76/17/780017617.db2.gz KAFKWXNQKWMAGO-ONGXEEELSA-N 1 2 255.318 -1.136 20 0 CAADLO C[N@@H+](C1CN(C(=O)[C@@H]2COCN2)C1)[C@H]1CCOC1 ZINC001161498568 780017620 /nfs/dbraw/zinc/01/76/20/780017620.db2.gz KAFKWXNQKWMAGO-ONGXEEELSA-N 1 2 255.318 -1.136 20 0 CAADLO NC(=O)[C@H]1CCCN1c1cc(NC(CO)CO)[nH+]cn1 ZINC001161748799 780025714 /nfs/dbraw/zinc/02/57/14/780025714.db2.gz OMIRBZFNIOWGHQ-SECBINFHSA-N 1 2 281.316 -1.304 20 0 CAADLO NC(=O)[C@H]1CCCN1c1cc(NC(CO)CO)nc[nH+]1 ZINC001161748799 780025718 /nfs/dbraw/zinc/02/57/18/780025718.db2.gz OMIRBZFNIOWGHQ-SECBINFHSA-N 1 2 281.316 -1.304 20 0 CAADLO Cn1nnc(C[NH2+]CCCNC(=O)c2cn[nH]n2)n1 ZINC001161691582 780026524 /nfs/dbraw/zinc/02/65/24/780026524.db2.gz SNQJNWOPUFDUMN-UHFFFAOYSA-N 1 2 265.281 -1.762 20 0 CAADLO Cn1cncc1C(=O)NCCC[NH2+]Cc1nnn(C)n1 ZINC001161913543 780027647 /nfs/dbraw/zinc/02/76/47/780027647.db2.gz NIGSUGIZEUERDH-UHFFFAOYSA-N 1 2 278.320 -1.147 20 0 CAADLO CCOC(=O)[C@H]([NH3+])CNc1ccc(C(N)=O)nn1 ZINC001161946485 780028852 /nfs/dbraw/zinc/02/88/52/780028852.db2.gz ZLMWUYSRAVPXAD-ZCFIWIBFSA-N 1 2 253.262 -1.122 20 0 CAADLO CS(=O)(=O)c1cccnc1N1CN[C@H]([NH3+])[C@@H]2NCN[C@@H]21 ZINC001162438016 780038390 /nfs/dbraw/zinc/03/83/90/780038390.db2.gz FHPXFYWUNUAHKV-ATZCPNFKSA-N 1 2 298.372 -2.018 20 0 CAADLO CS(=O)(=O)c1cccnc1N1CN[C@H]([NH3+])[C@@H]2NCN[C@H]21 ZINC001162438017 780038434 /nfs/dbraw/zinc/03/84/34/780038434.db2.gz FHPXFYWUNUAHKV-QXEWZRGKSA-N 1 2 298.372 -2.018 20 0 CAADLO [NH3+][C@@H]1NCN(c2n[nH]c(Cl)c3ncnc2-3)[C@@H]2NCN[C@@H]21 ZINC001162439751 780042294 /nfs/dbraw/zinc/04/22/94/780042294.db2.gz OHATWANADXHIST-VDAHYXPESA-N 1 2 295.738 -1.497 20 0 CAADLO CS(=O)(=O)c1ccc(N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)nc1 ZINC001162443864 780047569 /nfs/dbraw/zinc/04/75/69/780047569.db2.gz ABYRGEHVFRHTLM-DCAQKATOSA-N 1 2 298.372 -2.018 20 0 CAADLO Cc1nc2cnc(N3CN[C@H]([NH3+])[C@H]4NCN[C@H]43)nc2[nH]1 ZINC001162446531 780049926 /nfs/dbraw/zinc/04/99/26/780049926.db2.gz IUSOCEVYOZOTGM-WEDXCCLWSA-N 1 2 275.320 -1.890 20 0 CAADLO Cn1nnc(C[NH2+]CCCNC(=O)[C@]2(C)CNC(=O)C2)n1 ZINC001163087637 780055180 /nfs/dbraw/zinc/05/51/80/780055180.db2.gz AAVFBARKXRDMNF-LBPRGKRZSA-N 1 2 295.347 -1.668 20 0 CAADLO C[C@@H](CC(N)=O)C(=O)NCCC[NH2+]Cc1nnn(C)n1 ZINC001163912013 780063370 /nfs/dbraw/zinc/06/33/70/780063370.db2.gz BCQJFAKMYJDHPV-QMMMGPOBSA-N 1 2 283.336 -1.683 20 0 CAADLO Cn1nnc(C[NH2+]CCCNC(=O)[C@H]2CCNC2=O)n1 ZINC001163944554 780068664 /nfs/dbraw/zinc/06/86/64/780068664.db2.gz YHHZGSPFIZVRAC-MRVPVSSYSA-N 1 2 281.320 -2.058 20 0 CAADLO COC(=O)[C@@H]1C[C@H](Nc2cnc(C(N)=O)nc2)C[NH2+]1 ZINC001164308150 780071709 /nfs/dbraw/zinc/07/17/09/780071709.db2.gz AOWAPQNTAGKANS-XPUUQOCRSA-N 1 2 265.273 -1.109 20 0 CAADLO Cn1nnc(C[NH2+]CCCNC(=O)[C@H]2CCN(C)C2=O)n1 ZINC001164288265 780071826 /nfs/dbraw/zinc/07/18/26/780071826.db2.gz GZRXSKPXWBIDLF-SECBINFHSA-N 1 2 295.347 -1.716 20 0 CAADLO Cn1nnc(C[NH2+]CCCNC(=O)[C@@H]2CCN(C)C2=O)n1 ZINC001164288266 780071926 /nfs/dbraw/zinc/07/19/26/780071926.db2.gz GZRXSKPXWBIDLF-VIFPVBQESA-N 1 2 295.347 -1.716 20 0 CAADLO COC(=O)[C@@H]1C[C@H](Nc2ccc(CC(N)=O)nn2)C[NH2+]1 ZINC001164302185 780072314 /nfs/dbraw/zinc/07/23/14/780072314.db2.gz OYPUDMUMCGHMCI-IUCAKERBSA-N 1 2 279.300 -1.180 20 0 CAADLO COC(=O)[C@@H]1C[C@H](Nc2nccnc2C(N)=O)C[NH2+]1 ZINC001164301817 780072462 /nfs/dbraw/zinc/07/24/62/780072462.db2.gz HEJFGHLHJYRAEC-BQBZGAKWSA-N 1 2 265.273 -1.109 20 0 CAADLO Cn1nnc(C[NH2+]CCCNC(=O)c2c[nH]c(=O)cn2)n1 ZINC001165295775 780078128 /nfs/dbraw/zinc/07/81/28/780078128.db2.gz MGNCPFIJKIGRHO-UHFFFAOYSA-N 1 2 292.303 -1.797 20 0 CAADLO CCc1nc(C[NH2+]CCCNC(=O)C(N)=O)no1 ZINC001165612335 780084940 /nfs/dbraw/zinc/08/49/40/780084940.db2.gz ARTCYLQLBYQYLO-UHFFFAOYSA-N 1 2 255.278 -1.287 20 0 CAADLO CN(C)c1nc(C[NH2+]CCCNC(=O)C(N)=O)ns1 ZINC001165613279 780085005 /nfs/dbraw/zinc/08/50/05/780085005.db2.gz LNDYQEBORDZUDO-UHFFFAOYSA-N 1 2 286.361 -1.315 20 0 CAADLO CN1CC(C(=O)NCCC[NH2+]Cc2nnnn2C)=NC1=O ZINC001165837531 780088732 /nfs/dbraw/zinc/08/87/32/780088732.db2.gz KFAQULWHCHGEGT-UHFFFAOYSA-N 1 2 294.319 -1.441 20 0 CAADLO CC(=O)N1CC(=O)NC[C@]12CCN(c1cc(N)nc[nH+]1)C2 ZINC001166316478 780089646 /nfs/dbraw/zinc/08/96/46/780089646.db2.gz PUAKAVJSTXQMOI-ZDUSSCGKSA-N 1 2 290.327 -1.014 20 0 CAADLO CC(=O)N1CC(=O)NC[C@@]12CCN(c1cc(N)nc[nH+]1)C2 ZINC001166316477 780089905 /nfs/dbraw/zinc/08/99/05/780089905.db2.gz PUAKAVJSTXQMOI-CYBMUJFWSA-N 1 2 290.327 -1.014 20 0 CAADLO Cc1nc2cnc(N3CC[NH2+][C@H](C(N)=O)C3)nc2[nH]1 ZINC001166725430 780095451 /nfs/dbraw/zinc/09/54/51/780095451.db2.gz MKVMJYWFKUDHLN-QMMMGPOBSA-N 1 2 261.289 -1.124 20 0 CAADLO C[C@@H](NC(=O)[C@]1(C)CCNC1=O)C1C[NH+](CC(N)=O)C1 ZINC001276433454 780101463 /nfs/dbraw/zinc/10/14/63/780101463.db2.gz VHRFLLRJNDSCEQ-AMIZOPFISA-N 1 2 282.344 -1.566 20 0 CAADLO CNC(=O)CC(=O)N[C@H](CO)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001281111782 780102684 /nfs/dbraw/zinc/10/26/84/780102684.db2.gz OPJILJGTHXZIFL-QMMMGPOBSA-N 1 2 297.315 -2.318 20 0 CAADLO CC(=O)NCC(=O)N[C@@H]1C[N@@H+](Cc2cn(C)nn2)C[C@H]1C ZINC001205766742 780106223 /nfs/dbraw/zinc/10/62/23/780106223.db2.gz UTZOUJJDCZZOQO-BXKDBHETSA-N 1 2 294.359 -1.112 20 0 CAADLO CC(=O)NCC(=O)N[C@@H]1C[N@H+](Cc2cn(C)nn2)C[C@H]1C ZINC001205766742 780106227 /nfs/dbraw/zinc/10/62/27/780106227.db2.gz UTZOUJJDCZZOQO-BXKDBHETSA-N 1 2 294.359 -1.112 20 0 CAADLO CC(=O)NCC(=O)N[C@@H]1C[N@@H+](Cc2cnnn2C)C[C@H]1C ZINC001205745697 780106902 /nfs/dbraw/zinc/10/69/02/780106902.db2.gz MUUXWHKLJIYICV-BXKDBHETSA-N 1 2 294.359 -1.112 20 0 CAADLO CC(=O)NCC(=O)N[C@@H]1C[N@H+](Cc2cnnn2C)C[C@H]1C ZINC001205745697 780106909 /nfs/dbraw/zinc/10/69/09/780106909.db2.gz MUUXWHKLJIYICV-BXKDBHETSA-N 1 2 294.359 -1.112 20 0 CAADLO C[C@@H]1C[N@H+](Cc2cnnn2C)C[C@H]1NC(=O)CNC(N)=O ZINC001205937564 780108085 /nfs/dbraw/zinc/10/80/85/780108085.db2.gz WRWRFMQGGRXPCQ-PSASIEDQSA-N 1 2 295.347 -1.580 20 0 CAADLO C[C@@H]1C[N@@H+](Cc2cnnn2C)C[C@H]1NC(=O)CNC(N)=O ZINC001205937564 780108091 /nfs/dbraw/zinc/10/80/91/780108091.db2.gz WRWRFMQGGRXPCQ-PSASIEDQSA-N 1 2 295.347 -1.580 20 0 CAADLO C[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1NC(=O)c1ccon1 ZINC001206267554 780109532 /nfs/dbraw/zinc/10/95/32/780109532.db2.gz KMFBESGMFLKWQP-VXNVDRBHSA-N 1 2 295.299 -1.080 20 0 CAADLO C[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1NC(=O)c1ccon1 ZINC001206267554 780109538 /nfs/dbraw/zinc/10/95/38/780109538.db2.gz KMFBESGMFLKWQP-VXNVDRBHSA-N 1 2 295.299 -1.080 20 0 CAADLO CNC(=O)C[NH2+]CC1CCN(C(=O)Cc2ncn[nH]2)CC1 ZINC001206850992 780113091 /nfs/dbraw/zinc/11/30/91/780113091.db2.gz PIHSHQCVPNBOIB-UHFFFAOYSA-N 1 2 294.359 -1.079 20 0 CAADLO CNC(=O)CC(=O)N[C@@H]1C[N@H+](Cc2cn(C)nn2)C[C@H]1C ZINC001206902012 780114749 /nfs/dbraw/zinc/11/47/49/780114749.db2.gz XBALOKUEJDOKGG-MWLCHTKSSA-N 1 2 294.359 -1.112 20 0 CAADLO CNC(=O)CC(=O)N[C@@H]1C[N@@H+](Cc2cn(C)nn2)C[C@H]1C ZINC001206902012 780114754 /nfs/dbraw/zinc/11/47/54/780114754.db2.gz XBALOKUEJDOKGG-MWLCHTKSSA-N 1 2 294.359 -1.112 20 0 CAADLO Cn1ncnc1C[NH2+]C(C)(C)CNS(N)(=O)=O ZINC001207404613 780116732 /nfs/dbraw/zinc/11/67/32/780116732.db2.gz VAYIUTWXPOPCIY-UHFFFAOYSA-N 1 2 262.339 -1.524 20 0 CAADLO CC[C@@]1(C(=O)N[C@@H]2C[N@H+](CC(N)=O)C[C@H]2C)CCNC1=O ZINC001207609809 780118696 /nfs/dbraw/zinc/11/86/96/780118696.db2.gz KMSWNZUVJRQVGM-GPCCPHFNSA-N 1 2 296.371 -1.176 20 0 CAADLO CC[C@@]1(C(=O)N[C@@H]2C[N@@H+](CC(N)=O)C[C@H]2C)CCNC1=O ZINC001207609809 780118702 /nfs/dbraw/zinc/11/87/02/780118702.db2.gz KMSWNZUVJRQVGM-GPCCPHFNSA-N 1 2 296.371 -1.176 20 0 CAADLO COC[C@]1(C(=O)N[C@@H]2C[N@H+](CC(N)=O)C[C@H]2C)CCOC1 ZINC001208190342 780124631 /nfs/dbraw/zinc/12/46/31/780124631.db2.gz YEBKCMYUKMKXOY-JTNHKYCSSA-N 1 2 299.371 -1.039 20 0 CAADLO COC[C@]1(C(=O)N[C@@H]2C[N@@H+](CC(N)=O)C[C@H]2C)CCOC1 ZINC001208190342 780124636 /nfs/dbraw/zinc/12/46/36/780124636.db2.gz YEBKCMYUKMKXOY-JTNHKYCSSA-N 1 2 299.371 -1.039 20 0 CAADLO COC[C@@]1(C(=O)N[C@@H]2C[N@H+](CC(N)=O)C[C@H]2C)CCOC1 ZINC001208190336 780125468 /nfs/dbraw/zinc/12/54/68/780125468.db2.gz YEBKCMYUKMKXOY-GYSYKLTISA-N 1 2 299.371 -1.039 20 0 CAADLO COC[C@@]1(C(=O)N[C@@H]2C[N@@H+](CC(N)=O)C[C@H]2C)CCOC1 ZINC001208190336 780125472 /nfs/dbraw/zinc/12/54/72/780125472.db2.gz YEBKCMYUKMKXOY-GYSYKLTISA-N 1 2 299.371 -1.039 20 0 CAADLO C[C@@H]1C[N@H+](CC(=O)N(C)CC2CC2)C[C@H]1NC(=O)C(N)=O ZINC001208449793 780126073 /nfs/dbraw/zinc/12/60/73/780126073.db2.gz FHSTWLXOGLGRHJ-MWLCHTKSSA-N 1 2 296.371 -1.223 20 0 CAADLO C[C@@H]1C[N@@H+](CC(=O)N(C)CC2CC2)C[C@H]1NC(=O)C(N)=O ZINC001208449793 780126080 /nfs/dbraw/zinc/12/60/80/780126080.db2.gz FHSTWLXOGLGRHJ-MWLCHTKSSA-N 1 2 296.371 -1.223 20 0 CAADLO C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(N)=O)C1 ZINC001208455522 780126233 /nfs/dbraw/zinc/12/62/33/780126233.db2.gz SSUBXXHOOHYEBD-FSDSQADBSA-N 1 2 285.304 -2.508 20 0 CAADLO C[C@H](C(=O)NC(N)=O)[N@H+]1C[C@@H](C)[C@H](NC(=O)C(N)=O)C1 ZINC001208455522 780126241 /nfs/dbraw/zinc/12/62/41/780126241.db2.gz SSUBXXHOOHYEBD-FSDSQADBSA-N 1 2 285.304 -2.508 20 0 CAADLO C[C@@H](NC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(N)=O)C1)C1CC1 ZINC001208455518 780126796 /nfs/dbraw/zinc/12/67/96/780126796.db2.gz SRGDJQDXYQGWOT-FXPVBKGRSA-N 1 2 296.371 -1.177 20 0 CAADLO C[C@@H](NC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C(N)=O)C1)C1CC1 ZINC001208455518 780126799 /nfs/dbraw/zinc/12/67/99/780126799.db2.gz SRGDJQDXYQGWOT-FXPVBKGRSA-N 1 2 296.371 -1.177 20 0 CAADLO C[C@@H]1C[N@H+](CCNS(C)(=O)=O)C[C@H]1NC(=O)C(N)=O ZINC001208455653 780126853 /nfs/dbraw/zinc/12/68/53/780126853.db2.gz YTEKJZDKVSZCFY-HTQZYQBOSA-N 1 2 292.361 -2.543 20 0 CAADLO C[C@@H]1C[N@@H+](CCNS(C)(=O)=O)C[C@H]1NC(=O)C(N)=O ZINC001208455653 780126856 /nfs/dbraw/zinc/12/68/56/780126856.db2.gz YTEKJZDKVSZCFY-HTQZYQBOSA-N 1 2 292.361 -2.543 20 0 CAADLO C[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1NC(=O)C(N)=O ZINC001208450082 780127227 /nfs/dbraw/zinc/12/72/27/780127227.db2.gz NPJFZNPFWQQZAX-PHDIDXHHSA-N 1 2 271.277 -2.897 20 0 CAADLO C[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1NC(=O)C(N)=O ZINC001208450082 780127234 /nfs/dbraw/zinc/12/72/34/780127234.db2.gz NPJFZNPFWQQZAX-PHDIDXHHSA-N 1 2 271.277 -2.897 20 0 CAADLO CNC(=O)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(N)=O)C1 ZINC001208449833 780127166 /nfs/dbraw/zinc/12/71/66/780127166.db2.gz FXFOJHWIYRKQNB-RNFRBKRXSA-N 1 2 285.304 -2.636 20 0 CAADLO CNC(=O)NC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C(N)=O)C1 ZINC001208449833 780127170 /nfs/dbraw/zinc/12/71/70/780127170.db2.gz FXFOJHWIYRKQNB-RNFRBKRXSA-N 1 2 285.304 -2.636 20 0 CAADLO C[C@@H]1C[N@H+](CC(=O)NCC2CC2)C[C@H]1NC(=O)C(N)=O ZINC001208449946 780127184 /nfs/dbraw/zinc/12/71/84/780127184.db2.gz IRROVYWYIMCBHS-PSASIEDQSA-N 1 2 282.344 -1.566 20 0 CAADLO C[C@@H]1C[N@@H+](CC(=O)NCC2CC2)C[C@H]1NC(=O)C(N)=O ZINC001208449946 780127192 /nfs/dbraw/zinc/12/71/92/780127192.db2.gz IRROVYWYIMCBHS-PSASIEDQSA-N 1 2 282.344 -1.566 20 0 CAADLO COC[C@@H](OC)C(=O)N[C@@H]1C[N@H+](CC(N)=O)C[C@H]1C ZINC001208542232 780128174 /nfs/dbraw/zinc/12/81/74/780128174.db2.gz YEQYSBFQGLFKDI-OPRDCNLKSA-N 1 2 273.333 -1.430 20 0 CAADLO COC[C@@H](OC)C(=O)N[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1C ZINC001208542232 780128180 /nfs/dbraw/zinc/12/81/80/780128180.db2.gz YEQYSBFQGLFKDI-OPRDCNLKSA-N 1 2 273.333 -1.430 20 0 CAADLO CC1(C)O[C@H]([C@H](O)CO)[C@H](C[N@@H+]2CCCNC(=O)C2)O1 ZINC001209271091 780131391 /nfs/dbraw/zinc/13/13/91/780131391.db2.gz QWLAULWKYUHCEL-JFGNBEQYSA-N 1 2 288.344 -1.318 20 0 CAADLO CC1(C)O[C@H]([C@H](O)CO)[C@H](C[N@H+]2CCCNC(=O)C2)O1 ZINC001209271091 780131395 /nfs/dbraw/zinc/13/13/95/780131395.db2.gz QWLAULWKYUHCEL-JFGNBEQYSA-N 1 2 288.344 -1.318 20 0 CAADLO CC1(C)O[C@H]([C@H](O)CO)[C@H](C[N@@H+]2C[C@@H](O)[C@@H](F)C2)O1 ZINC001209271076 780131776 /nfs/dbraw/zinc/13/17/76/780131776.db2.gz QGZJKVBVQCSLIG-UNQZSWDGSA-N 1 2 279.308 -1.126 20 0 CAADLO CC1(C)O[C@H]([C@H](O)CO)[C@H](C[N@H+]2C[C@@H](O)[C@@H](F)C2)O1 ZINC001209271076 780131779 /nfs/dbraw/zinc/13/17/79/780131779.db2.gz QGZJKVBVQCSLIG-UNQZSWDGSA-N 1 2 279.308 -1.126 20 0 CAADLO CC(C)NC(=O)C[N@@H+]1C[C@@H](NC(=O)C(N)=O)C(C)(C)C1 ZINC001276608566 780131834 /nfs/dbraw/zinc/13/18/34/780131834.db2.gz SGWAUDBVRUCHBT-SECBINFHSA-N 1 2 284.360 -1.177 20 0 CAADLO CC(C)NC(=O)C[N@H+]1C[C@@H](NC(=O)C(N)=O)C(C)(C)C1 ZINC001276608566 780131839 /nfs/dbraw/zinc/13/18/39/780131839.db2.gz SGWAUDBVRUCHBT-SECBINFHSA-N 1 2 284.360 -1.177 20 0 CAADLO C[C@@H]1C[N@H+](CCOCCO)C[C@H]1NC(=O)c1nc[nH]n1 ZINC001209595090 780135765 /nfs/dbraw/zinc/13/57/65/780135765.db2.gz GLRVXBPARKFTSV-NXEZZACHSA-N 1 2 283.332 -1.136 20 0 CAADLO C[C@@H]1C[N@@H+](CCOCCO)C[C@H]1NC(=O)c1nc[nH]n1 ZINC001209595090 780135770 /nfs/dbraw/zinc/13/57/70/780135770.db2.gz GLRVXBPARKFTSV-NXEZZACHSA-N 1 2 283.332 -1.136 20 0 CAADLO CC(=O)NC(C)(C)C(=O)N[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1C ZINC001209547555 780136086 /nfs/dbraw/zinc/13/60/86/780136086.db2.gz NFIPSGMWQYXWGS-PSASIEDQSA-N 1 2 284.360 -1.177 20 0 CAADLO CC(=O)NC(C)(C)C(=O)N[C@@H]1C[N@H+](CC(N)=O)C[C@H]1C ZINC001209547555 780136093 /nfs/dbraw/zinc/13/60/93/780136093.db2.gz NFIPSGMWQYXWGS-PSASIEDQSA-N 1 2 284.360 -1.177 20 0 CAADLO CNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(=O)NCC2CC2)C1 ZINC001209815710 780137884 /nfs/dbraw/zinc/13/78/84/780137884.db2.gz MEPKIODQYLXAJB-MWLCHTKSSA-N 1 2 296.371 -1.305 20 0 CAADLO CNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C(=O)NCC2CC2)C1 ZINC001209815710 780137892 /nfs/dbraw/zinc/13/78/92/780137892.db2.gz MEPKIODQYLXAJB-MWLCHTKSSA-N 1 2 296.371 -1.305 20 0 CAADLO CNC(=O)[C@@H](C)NS(=O)(=O)N1CC[NH+](C)CC1 ZINC001210414235 780139667 /nfs/dbraw/zinc/13/96/67/780139667.db2.gz IFLYOTPOSYTKAA-MRVPVSSYSA-N 1 2 264.351 -1.797 20 0 CAADLO CNC(=O)C1(C(=O)N[C@@H]2C[N@H+](CC(N)=O)C[C@H]2C)CCC1 ZINC001210521497 780139520 /nfs/dbraw/zinc/13/95/20/780139520.db2.gz FUOZMRPATUKDTN-NXEZZACHSA-N 1 2 296.371 -1.176 20 0 CAADLO CNC(=O)C1(C(=O)N[C@@H]2C[N@@H+](CC(N)=O)C[C@H]2C)CCC1 ZINC001210521497 780139525 /nfs/dbraw/zinc/13/95/25/780139525.db2.gz FUOZMRPATUKDTN-NXEZZACHSA-N 1 2 296.371 -1.176 20 0 CAADLO C[C@@H](NS(C)(=O)=O)C(=O)NCc1c[nH+]cn1C ZINC000291333729 780143139 /nfs/dbraw/zinc/14/31/39/780143139.db2.gz VXXMTDJYUZSYMF-SSDOTTSWSA-N 1 2 260.319 -1.026 20 0 CAADLO CC[C@H](CO)NS(=O)(=O)N1CC[NH+](C)CC1 ZINC001211249159 780143160 /nfs/dbraw/zinc/14/31/60/780143160.db2.gz CXWQDBZOPLGASC-SECBINFHSA-N 1 2 251.352 -1.161 20 0 CAADLO CO[C@@H]1CN(CC(N)=O)C[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC001213241652 780143221 /nfs/dbraw/zinc/14/32/21/780143221.db2.gz HJVSDWGPROVLCA-GHMZBOCLSA-N 1 2 295.343 -1.426 20 0 CAADLO CO[C@@H]1C[N@H+](C[C@H](C)O)C[C@H]1NC(=O)CCc1cnn[nH]1 ZINC001213466519 780144719 /nfs/dbraw/zinc/14/47/19/780144719.db2.gz SOAGOBGOGCGEAL-MVWJERBFSA-N 1 2 297.359 -1.067 20 0 CAADLO CO[C@@H]1C[N@@H+](C[C@H](C)O)C[C@H]1NC(=O)CCc1cnn[nH]1 ZINC001213466519 780144728 /nfs/dbraw/zinc/14/47/28/780144728.db2.gz SOAGOBGOGCGEAL-MVWJERBFSA-N 1 2 297.359 -1.067 20 0 CAADLO CO[C@@H]1C[N@H+](CCF)C[C@H]1NC(=O)CCNC(N)=O ZINC001213831112 780145925 /nfs/dbraw/zinc/14/59/25/780145925.db2.gz AVNGWPVJHIXWNE-RKDXNWHRSA-N 1 2 276.312 -1.170 20 0 CAADLO CO[C@@H]1C[N@@H+](CCF)C[C@H]1NC(=O)CCNC(N)=O ZINC001213831112 780145931 /nfs/dbraw/zinc/14/59/31/780145931.db2.gz AVNGWPVJHIXWNE-RKDXNWHRSA-N 1 2 276.312 -1.170 20 0 CAADLO CO[C@@H]1C[N@H+](CCOCCO)C[C@H]1NC(=O)c1nnc[nH]1 ZINC001213593356 780146768 /nfs/dbraw/zinc/14/67/68/780146768.db2.gz VQKDCTVTGNCGEO-NXEZZACHSA-N 1 2 299.331 -1.757 20 0 CAADLO CO[C@@H]1C[N@@H+](CCOCCO)C[C@H]1NC(=O)c1nnc[nH]1 ZINC001213593356 780146773 /nfs/dbraw/zinc/14/67/73/780146773.db2.gz VQKDCTVTGNCGEO-NXEZZACHSA-N 1 2 299.331 -1.757 20 0 CAADLO CO[C@@H]1C[N@H+](CCOCCO)C[C@H]1NC(=O)c1ncn[nH]1 ZINC001213593356 780146776 /nfs/dbraw/zinc/14/67/76/780146776.db2.gz VQKDCTVTGNCGEO-NXEZZACHSA-N 1 2 299.331 -1.757 20 0 CAADLO CO[C@@H]1C[N@@H+](CCOCCO)C[C@H]1NC(=O)c1ncn[nH]1 ZINC001213593356 780146780 /nfs/dbraw/zinc/14/67/80/780146780.db2.gz VQKDCTVTGNCGEO-NXEZZACHSA-N 1 2 299.331 -1.757 20 0 CAADLO O=C1CCC(=O)N1CC[N@@H+]1CCN2C(=O)NC[C@@H]2C1 ZINC000175940266 780146908 /nfs/dbraw/zinc/14/69/08/780146908.db2.gz UQISGSVCRFZZJM-SECBINFHSA-N 1 2 266.301 -1.155 20 0 CAADLO O=C1CCC(=O)N1CC[N@H+]1CCN2C(=O)NC[C@@H]2C1 ZINC000175940266 780146912 /nfs/dbraw/zinc/14/69/12/780146912.db2.gz UQISGSVCRFZZJM-SECBINFHSA-N 1 2 266.301 -1.155 20 0 CAADLO C[C@@H]1CN(C(=O)CNC(N)=O)C[C@H]1[NH2+]Cc1nnn(C)n1 ZINC001214120550 780149313 /nfs/dbraw/zinc/14/93/13/780149313.db2.gz IVUFAKSVFXQWDH-HTQZYQBOSA-N 1 2 296.335 -2.185 20 0 CAADLO C[C@@H]1CN(C(=O)Cc2ncn[nH]2)C[C@H]1[NH2+]CC(=O)N(C)C ZINC001216310423 780157722 /nfs/dbraw/zinc/15/77/22/780157722.db2.gz SYPHUNUMWKZHCF-NXEZZACHSA-N 1 2 294.359 -1.128 20 0 CAADLO CNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)Cc2ncn[nH]2)C[C@H]1C ZINC001216310698 780158215 /nfs/dbraw/zinc/15/82/15/780158215.db2.gz XHDCYTQTGCILOP-OPRDCNLKSA-N 1 2 294.359 -1.082 20 0 CAADLO COc1nn(C)cc1NC(=O)[C@@H]([NH3+])Cc1nn[nH]n1 ZINC001218505290 780167001 /nfs/dbraw/zinc/16/70/01/780167001.db2.gz PWEWLSCSXMMQJX-YFKPBYRVSA-N 1 2 266.265 -1.550 20 0 CAADLO N=c1scc(N)n1C(=O)[C@@H]([NH3+])Cc1nn[nH]n1 ZINC001218539969 780169416 /nfs/dbraw/zinc/16/94/16/780169416.db2.gz BDCMQRSDNJNREQ-VKHMYHEASA-N 1 2 254.279 -1.665 20 0 CAADLO Cn1ncc2c1ncnc2NC(=O)[C@@H]([NH3+])Cc1nn[nH]n1 ZINC001218557435 780170435 /nfs/dbraw/zinc/17/04/35/780170435.db2.gz RZEMKXAFBAWOEI-LURJTMIESA-N 1 2 288.275 -1.615 20 0 CAADLO Cc1nc(NC(=O)[C@@H]([NH3+])Cc2nn[nH]n2)cc(=O)[nH]1 ZINC001218563841 780170909 /nfs/dbraw/zinc/17/09/09/780170909.db2.gz FAOLQEBKMMNBFO-YFKPBYRVSA-N 1 2 264.249 -1.488 20 0 CAADLO C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)Nc1n[nH]c2nccnc12 ZINC001218568954 780172333 /nfs/dbraw/zinc/17/23/33/780172333.db2.gz WTDCGYKGNQHKHD-WDSKDSINSA-N 1 2 293.287 -1.933 20 0 CAADLO COC(=O)[C@@H]([NH3+])CCC(=O)Nc1cn[nH]c1C(N)=O ZINC001218565515 780172369 /nfs/dbraw/zinc/17/23/69/780172369.db2.gz VCUFGYLYZCNZGS-YFKPBYRVSA-N 1 2 269.261 -1.272 20 0 CAADLO COc1cc(NC(=O)[C@@H]([NH3+])Cc2nn[nH]n2)no1 ZINC001218574068 780172422 /nfs/dbraw/zinc/17/24/22/780172422.db2.gz OZTSGTBGTHKTCC-BYPYZUCNSA-N 1 2 253.222 -1.295 20 0 CAADLO COC(=O)[C@@H]([NH3+])CC(=O)Nc1nccnc1C(N)=O ZINC001218617346 780174975 /nfs/dbraw/zinc/17/49/75/780174975.db2.gz FDAIAYOZCAMSNS-YFKPBYRVSA-N 1 2 267.245 -1.596 20 0 CAADLO NC(=O)c1nccnc1NC(=O)[C@@H]([NH3+])Cc1nn[nH]n1 ZINC001218618575 780176245 /nfs/dbraw/zinc/17/62/45/780176245.db2.gz RJHFPCUBZAYUIA-BYPYZUCNSA-N 1 2 277.248 -2.403 20 0 CAADLO COC(=O)c1scnc1NC(=O)[C@@H]([NH3+])Cc1nn[nH]n1 ZINC001218623683 780176737 /nfs/dbraw/zinc/17/67/37/780176737.db2.gz AMAKZGKKLAFULY-BYPYZUCNSA-N 1 2 297.300 -1.049 20 0 CAADLO O=C(NC1C(=O)N=CN=C1[O-])[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001218701915 780181010 /nfs/dbraw/zinc/18/10/10/780181010.db2.gz GFCQHDAVUSFERX-KBUNVGBDSA-N 1 2 265.273 -1.222 20 0 CAADLO CCOc1cc(N)n(C(=O)[C@@H]([NH3+])Cc2nn[nH]n2)c(=N)n1 ZINC001218680792 780181090 /nfs/dbraw/zinc/18/10/90/780181090.db2.gz KPTVHSHDOYEWOR-YFKPBYRVSA-N 1 2 293.291 -1.933 20 0 CAADLO CCN=c1ccc(N)cn1C(=O)[C@@H]([NH3+])Cc1nn[nH]n1 ZINC001218739576 780182402 /nfs/dbraw/zinc/18/24/02/780182402.db2.gz FZTFFSFDMGXFLO-QMMMGPOBSA-N 1 2 276.304 -1.286 20 0 CAADLO CN(C)c1cc(NC(=O)[C@@H]([NH3+])Cc2nn[nH]n2)[nH]n1 ZINC001218743071 780182679 /nfs/dbraw/zinc/18/26/79/780182679.db2.gz NJVIFYYIWPEFCK-YFKPBYRVSA-N 1 2 265.281 -1.503 20 0 CAADLO CC(=O)c1nn(C)cc1NC(=O)[C@@H]([NH3+])Cc1nn[nH]n1 ZINC001218707385 780182721 /nfs/dbraw/zinc/18/27/21/780182721.db2.gz JTDZNFBMCFRIQR-LURJTMIESA-N 1 2 278.276 -1.356 20 0 CAADLO CCN(C)c1ncc(NC(=O)[C@@H]([NH3+])Cc2nn[nH]n2)cn1 ZINC001218741103 780182921 /nfs/dbraw/zinc/18/29/21/780182921.db2.gz SFRMWWCHCGKETL-QMMMGPOBSA-N 1 2 291.319 -1.046 20 0 CAADLO [NH3+][C@@H](Cc1nn[nH]n1)C(=O)Nc1cn(CCF)cn1 ZINC001218742614 780183363 /nfs/dbraw/zinc/18/33/63/780183363.db2.gz JDCXEYGJEGKUKH-LURJTMIESA-N 1 2 268.256 -1.126 20 0 CAADLO [NH3+][C@@H](Cc1nn[nH]n1)C(=O)Nc1cnc2nccn2c1 ZINC001218783981 780183816 /nfs/dbraw/zinc/18/38/16/780183816.db2.gz IDGGMSYLINGECX-ZETCQYMHSA-N 1 2 273.260 -1.249 20 0 CAADLO CCc1c(NC(=O)C[C@H]([NH3+])C(=O)OC)c(C(N)=O)nn1C ZINC001218789023 780184454 /nfs/dbraw/zinc/18/44/54/780184454.db2.gz XLLINIZNVBDKGF-LURJTMIESA-N 1 2 297.315 -1.090 20 0 CAADLO CC(=O)N[C@@H]1C[N@H+](C[C@@H](C)CS(C)(=O)=O)C[C@@H]1O ZINC001219078509 780186408 /nfs/dbraw/zinc/18/64/08/780186408.db2.gz BSHCUFUFVVJQDF-IEBDPFPHSA-N 1 2 278.374 -1.152 20 0 CAADLO CC(=O)N[C@@H]1C[N@@H+](C[C@@H](C)CS(C)(=O)=O)C[C@@H]1O ZINC001219078509 780186412 /nfs/dbraw/zinc/18/64/12/780186412.db2.gz BSHCUFUFVVJQDF-IEBDPFPHSA-N 1 2 278.374 -1.152 20 0 CAADLO Cn1nnc2cc(NC(=O)[C@@H]([NH3+])Cc3nn[nH]n3)ccc21 ZINC001218877339 780186772 /nfs/dbraw/zinc/18/67/72/780186772.db2.gz FWLQGIPQJPQDOA-ZETCQYMHSA-N 1 2 287.287 -1.010 20 0 CAADLO CCN(C)C(=O)C[N@H+]1C[C@@H](NC(=O)CCOC)[C@@H](O)C1 ZINC001219082447 780187386 /nfs/dbraw/zinc/18/73/86/780187386.db2.gz UOTRXQRKHRNZHH-MNOVXSKESA-N 1 2 287.360 -1.338 20 0 CAADLO CCN(C)C(=O)C[N@@H+]1C[C@@H](NC(=O)CCOC)[C@@H](O)C1 ZINC001219082447 780187392 /nfs/dbraw/zinc/18/73/92/780187392.db2.gz UOTRXQRKHRNZHH-MNOVXSKESA-N 1 2 287.360 -1.338 20 0 CAADLO CS(=O)(=O)NCC[N@H+]1C[C@@H](NC(=O)C2CC2)[C@@H](O)C1 ZINC001219080409 780187426 /nfs/dbraw/zinc/18/74/26/780187426.db2.gz IVKAJZJRBHIVLD-ZJUUUORDSA-N 1 2 291.373 -1.893 20 0 CAADLO CS(=O)(=O)NCC[N@@H+]1C[C@@H](NC(=O)C2CC2)[C@@H](O)C1 ZINC001219080409 780187430 /nfs/dbraw/zinc/18/74/30/780187430.db2.gz IVKAJZJRBHIVLD-ZJUUUORDSA-N 1 2 291.373 -1.893 20 0 CAADLO CCC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)NC(=O)NC)C[C@@H]1O ZINC001219082395 780187879 /nfs/dbraw/zinc/18/78/79/780187879.db2.gz STRAWPZROMJWHA-HLTSFMKQSA-N 1 2 286.332 -1.598 20 0 CAADLO CCC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)NC(=O)NC)C[C@@H]1O ZINC001219082395 780187883 /nfs/dbraw/zinc/18/78/83/780187883.db2.gz STRAWPZROMJWHA-HLTSFMKQSA-N 1 2 286.332 -1.598 20 0 CAADLO COCCCNC(=O)C[N@H+]1C[C@@H](NC(C)=O)[C@@H](O)C1 ZINC001219082085 780187909 /nfs/dbraw/zinc/18/79/09/780187909.db2.gz LXABWWCIQORCMC-MNOVXSKESA-N 1 2 273.333 -1.680 20 0 CAADLO COCCCNC(=O)C[N@@H+]1C[C@@H](NC(C)=O)[C@@H](O)C1 ZINC001219082085 780187912 /nfs/dbraw/zinc/18/79/12/780187912.db2.gz LXABWWCIQORCMC-MNOVXSKESA-N 1 2 273.333 -1.680 20 0 CAADLO CC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)NC(N)=O)C[C@@H]1O ZINC001219078808 780188041 /nfs/dbraw/zinc/18/80/41/780188041.db2.gz JMPJMYBMJDOPTH-NJUXHZRNSA-N 1 2 258.278 -2.249 20 0 CAADLO CC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)NC(N)=O)C[C@@H]1O ZINC001219078808 780188046 /nfs/dbraw/zinc/18/80/46/780188046.db2.gz JMPJMYBMJDOPTH-NJUXHZRNSA-N 1 2 258.278 -2.249 20 0 CAADLO CCNC(=O)NC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(C)=O)[C@@H](O)C1 ZINC001219081775 780188100 /nfs/dbraw/zinc/18/81/00/780188100.db2.gz DVGDKCUSRRINCA-QNSHHTMESA-N 1 2 286.332 -1.598 20 0 CAADLO CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(C)=O)[C@@H](O)C1 ZINC001219081775 780188105 /nfs/dbraw/zinc/18/81/05/780188105.db2.gz DVGDKCUSRRINCA-QNSHHTMESA-N 1 2 286.332 -1.598 20 0 CAADLO CCC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)NC(N)=O)C[C@@H]1O ZINC001219082260 780188266 /nfs/dbraw/zinc/18/82/66/780188266.db2.gz PAZVAZGTNACLLP-PRJMDXOYSA-N 1 2 272.305 -1.859 20 0 CAADLO CCC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)NC(N)=O)C[C@@H]1O ZINC001219082260 780188268 /nfs/dbraw/zinc/18/82/68/780188268.db2.gz PAZVAZGTNACLLP-PRJMDXOYSA-N 1 2 272.305 -1.859 20 0 CAADLO CCN(C)C(=O)C[N@H+]1C[C@@H](NC(=O)COC)[C@@H](O)C1 ZINC001219089353 780189367 /nfs/dbraw/zinc/18/93/67/780189367.db2.gz BPMZYGUTISRCDY-ZJUUUORDSA-N 1 2 273.333 -1.728 20 0 CAADLO CCN(C)C(=O)C[N@@H+]1C[C@@H](NC(=O)COC)[C@@H](O)C1 ZINC001219089353 780189374 /nfs/dbraw/zinc/18/93/74/780189374.db2.gz BPMZYGUTISRCDY-ZJUUUORDSA-N 1 2 273.333 -1.728 20 0 CAADLO COCC(=O)N[C@@H]1C[N@H+](Cc2cnn(C)c2)C[C@@H]1O ZINC001219089397 780189386 /nfs/dbraw/zinc/18/93/86/780189386.db2.gz DGXLQCXCBCQUPH-MNOVXSKESA-N 1 2 268.317 -1.272 20 0 CAADLO COCC(=O)N[C@@H]1C[N@@H+](Cc2cnn(C)c2)C[C@@H]1O ZINC001219089397 780189391 /nfs/dbraw/zinc/18/93/91/780189391.db2.gz DGXLQCXCBCQUPH-MNOVXSKESA-N 1 2 268.317 -1.272 20 0 CAADLO COCC(=O)N[C@@H]1CN(Cc2c[nH+]cn2C)C[C@@H]1O ZINC001219089900 780189607 /nfs/dbraw/zinc/18/96/07/780189607.db2.gz YYFVISFGKBQVNJ-MNOVXSKESA-N 1 2 268.317 -1.272 20 0 CAADLO COCCC(=O)N[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@@H]1O ZINC001219083675 780189735 /nfs/dbraw/zinc/18/97/35/780189735.db2.gz HAVOKOSJXDNMNM-UTLUCORTSA-N 1 2 271.317 -1.927 20 0 CAADLO COCCC(=O)N[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@@H]1O ZINC001219083675 780189742 /nfs/dbraw/zinc/18/97/42/780189742.db2.gz HAVOKOSJXDNMNM-UTLUCORTSA-N 1 2 271.317 -1.927 20 0 CAADLO COCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC2CC2)C[C@@H]1O ZINC001219085881 780189862 /nfs/dbraw/zinc/18/98/62/780189862.db2.gz FPNBEFFIECLLEN-GDPRMGEGSA-N 1 2 285.344 -1.539 20 0 CAADLO COCC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)NC2CC2)C[C@@H]1O ZINC001219085881 780189868 /nfs/dbraw/zinc/18/98/68/780189868.db2.gz FPNBEFFIECLLEN-GDPRMGEGSA-N 1 2 285.344 -1.539 20 0 CAADLO COCCC(=O)N[C@@H]1C[N@H+](CC(=O)NC2CC2)C[C@@H]1O ZINC001219083942 780189895 /nfs/dbraw/zinc/18/98/95/780189895.db2.gz QDDUOFMMHQNDDG-MNOVXSKESA-N 1 2 285.344 -1.537 20 0 CAADLO COCCC(=O)N[C@@H]1C[N@@H+](CC(=O)NC2CC2)C[C@@H]1O ZINC001219083942 780189901 /nfs/dbraw/zinc/18/99/01/780189901.db2.gz QDDUOFMMHQNDDG-MNOVXSKESA-N 1 2 285.344 -1.537 20 0 CAADLO CCCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)COC)[C@@H](O)C1 ZINC001219086254 780189990 /nfs/dbraw/zinc/18/99/90/780189990.db2.gz UGEVDMRPNHNYRE-MXWKQRLJSA-N 1 2 287.360 -1.291 20 0 CAADLO CCCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)COC)[C@@H](O)C1 ZINC001219086254 780189995 /nfs/dbraw/zinc/18/99/95/780189995.db2.gz UGEVDMRPNHNYRE-MXWKQRLJSA-N 1 2 287.360 -1.291 20 0 CAADLO CC[C@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)CCOC)[C@@H](O)C1 ZINC001219095235 780190835 /nfs/dbraw/zinc/19/08/35/780190835.db2.gz LSPAWYLDHHWYMR-BBBLOLIVSA-N 1 2 273.333 -1.552 20 0 CAADLO CC[C@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)CCOC)[C@@H](O)C1 ZINC001219095235 780190837 /nfs/dbraw/zinc/19/08/37/780190837.db2.gz LSPAWYLDHHWYMR-BBBLOLIVSA-N 1 2 273.333 -1.552 20 0 CAADLO CCN(CC)C(=O)C[N@H+]1C[C@@H](NC(=O)COC)[C@@H](O)C1 ZINC001219091447 780190868 /nfs/dbraw/zinc/19/08/68/780190868.db2.gz MWLGTADPGVQAHP-MNOVXSKESA-N 1 2 287.360 -1.338 20 0 CAADLO CCN(CC)C(=O)C[N@@H+]1C[C@@H](NC(=O)COC)[C@@H](O)C1 ZINC001219091447 780190872 /nfs/dbraw/zinc/19/08/72/780190872.db2.gz MWLGTADPGVQAHP-MNOVXSKESA-N 1 2 287.360 -1.338 20 0 CAADLO CCN1CC[C@@H]([N@H+]2C[C@@H](NC(=O)CCOC)[C@@H](O)C2)C1=O ZINC001219095015 780191052 /nfs/dbraw/zinc/19/10/52/780191052.db2.gz FIHZZGTXLDHEER-UTUOFQBUSA-N 1 2 299.371 -1.195 20 0 CAADLO CCN1CC[C@@H]([N@@H+]2C[C@@H](NC(=O)CCOC)[C@@H](O)C2)C1=O ZINC001219095015 780191055 /nfs/dbraw/zinc/19/10/55/780191055.db2.gz FIHZZGTXLDHEER-UTUOFQBUSA-N 1 2 299.371 -1.195 20 0 CAADLO CC(=O)NCC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(N)=O)C[C@@H]1O ZINC001219106946 780192225 /nfs/dbraw/zinc/19/22/25/780192225.db2.gz KHWJBSRGTBICIU-ZQARSLAVSA-N 1 2 272.305 -2.842 20 0 CAADLO CC(=O)NCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(N)=O)C[C@@H]1O ZINC001219106946 780192228 /nfs/dbraw/zinc/19/22/28/780192228.db2.gz KHWJBSRGTBICIU-ZQARSLAVSA-N 1 2 272.305 -2.842 20 0 CAADLO CC(=O)NCC(=O)N[C@@H]1C[N@H+](Cc2cccnc2)C[C@@H]1O ZINC001219104843 780192454 /nfs/dbraw/zinc/19/24/54/780192454.db2.gz GOQHYKRBQJOOBL-OLZOCXBDSA-N 1 2 292.339 -1.121 20 0 CAADLO CC(=O)NCC(=O)N[C@@H]1C[N@@H+](Cc2cccnc2)C[C@@H]1O ZINC001219104843 780192457 /nfs/dbraw/zinc/19/24/57/780192457.db2.gz GOQHYKRBQJOOBL-OLZOCXBDSA-N 1 2 292.339 -1.121 20 0 CAADLO CC(=O)NCC(=O)N[C@@H]1C[N@H+](Cc2cnoc2C)C[C@@H]1O ZINC001219106888 780192525 /nfs/dbraw/zinc/19/25/25/780192525.db2.gz HSDZBMRGDNDFSV-NEPJUHHUSA-N 1 2 296.327 -1.220 20 0 CAADLO CC(=O)NCC(=O)N[C@@H]1C[N@@H+](Cc2cnoc2C)C[C@@H]1O ZINC001219106888 780192531 /nfs/dbraw/zinc/19/25/31/780192531.db2.gz HSDZBMRGDNDFSV-NEPJUHHUSA-N 1 2 296.327 -1.220 20 0 CAADLO CC(=O)NCC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@@H]1O ZINC001219104835 780192639 /nfs/dbraw/zinc/19/26/39/780192639.db2.gz GCFBDLYCQCWSQS-BBBLOLIVSA-N 1 2 284.316 -2.828 20 0 CAADLO CC(=O)NCC(=O)N[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@@H]1O ZINC001219104835 780192643 /nfs/dbraw/zinc/19/26/43/780192643.db2.gz GCFBDLYCQCWSQS-BBBLOLIVSA-N 1 2 284.316 -2.828 20 0 CAADLO CC(=O)NCC(=O)N[C@@H]1C[N@H+]([C@H](C)C(N)=O)C[C@@H]1O ZINC001219106945 780192759 /nfs/dbraw/zinc/19/27/59/780192759.db2.gz KHWJBSRGTBICIU-VDAHYXPESA-N 1 2 272.305 -2.842 20 0 CAADLO CC(=O)NCC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(N)=O)C[C@@H]1O ZINC001219106945 780192763 /nfs/dbraw/zinc/19/27/63/780192763.db2.gz KHWJBSRGTBICIU-VDAHYXPESA-N 1 2 272.305 -2.842 20 0 CAADLO CC(=O)NCC(=O)N[C@@H]1C[N@H+]([C@H]2CCN(C)C2=O)C[C@@H]1O ZINC001219112033 780194204 /nfs/dbraw/zinc/19/42/04/780194204.db2.gz QATGMJZZUHHYNT-VWYCJHECSA-N 1 2 298.343 -2.486 20 0 CAADLO CC(=O)NCC(=O)N[C@@H]1C[N@@H+]([C@H]2CCN(C)C2=O)C[C@@H]1O ZINC001219112033 780194208 /nfs/dbraw/zinc/19/42/08/780194208.db2.gz QATGMJZZUHHYNT-VWYCJHECSA-N 1 2 298.343 -2.486 20 0 CAADLO CCOCC(=O)N[C@@H]1C[N@@H+]([C@@H](CC)C(N)=O)C[C@@H]1O ZINC001219145647 780195023 /nfs/dbraw/zinc/19/50/23/780195023.db2.gz ZTZBZKYBXACBKN-UTLUCORTSA-N 1 2 273.333 -1.552 20 0 CAADLO CCOCC(=O)N[C@@H]1C[N@H+]([C@@H](CC)C(N)=O)C[C@@H]1O ZINC001219145647 780195026 /nfs/dbraw/zinc/19/50/26/780195026.db2.gz ZTZBZKYBXACBKN-UTLUCORTSA-N 1 2 273.333 -1.552 20 0 CAADLO CCOCC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCN(CC)C2=O)C[C@@H]1O ZINC001219145532 780195058 /nfs/dbraw/zinc/19/50/58/780195058.db2.gz UACSSAIVARGCGY-UTUOFQBUSA-N 1 2 299.371 -1.195 20 0 CAADLO CCOCC(=O)N[C@@H]1C[N@H+]([C@@H]2CCN(CC)C2=O)C[C@@H]1O ZINC001219145532 780195062 /nfs/dbraw/zinc/19/50/62/780195062.db2.gz UACSSAIVARGCGY-UTUOFQBUSA-N 1 2 299.371 -1.195 20 0 CAADLO CC(C)=CC(=O)N[C@@H]1C[N@H+]([C@H](C)C(N)=O)C[C@@H]1O ZINC001219143109 780195148 /nfs/dbraw/zinc/19/51/48/780195148.db2.gz CCQRLAWQCHQFQS-BBBLOLIVSA-N 1 2 255.318 -1.012 20 0 CAADLO CC(C)=CC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(N)=O)C[C@@H]1O ZINC001219143109 780195151 /nfs/dbraw/zinc/19/51/51/780195151.db2.gz CCQRLAWQCHQFQS-BBBLOLIVSA-N 1 2 255.318 -1.012 20 0 CAADLO CCOCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC2CC2)C[C@@H]1O ZINC001219140973 780195195 /nfs/dbraw/zinc/19/51/95/780195195.db2.gz ADFSWVPBAJZNIE-WCQGTBRESA-N 1 2 299.371 -1.149 20 0 CAADLO CCOCC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)NC2CC2)C[C@@H]1O ZINC001219140973 780195200 /nfs/dbraw/zinc/19/52/00/780195200.db2.gz ADFSWVPBAJZNIE-WCQGTBRESA-N 1 2 299.371 -1.149 20 0 CAADLO CC(C)=CC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)NC(N)=O)C[C@@H]1O ZINC001219148359 780195418 /nfs/dbraw/zinc/19/54/18/780195418.db2.gz BNQCKACHRSEWTI-AEJSXWLSSA-N 1 2 298.343 -1.303 20 0 CAADLO CC(C)=CC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC(N)=O)C[C@@H]1O ZINC001219148359 780195423 /nfs/dbraw/zinc/19/54/23/780195423.db2.gz BNQCKACHRSEWTI-AEJSXWLSSA-N 1 2 298.343 -1.303 20 0 CAADLO CCOCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)N(C)C)C[C@@H]1O ZINC001219145498 780195508 /nfs/dbraw/zinc/19/55/08/780195508.db2.gz RPIMSQDIWUYLCI-AXFHLTTASA-N 1 2 287.360 -1.339 20 0 CAADLO CCOCC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)N(C)C)C[C@@H]1O ZINC001219145498 780195515 /nfs/dbraw/zinc/19/55/15/780195515.db2.gz RPIMSQDIWUYLCI-AXFHLTTASA-N 1 2 287.360 -1.339 20 0 CAADLO CCOCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC)C[C@@H]1O ZINC001219145349 780195541 /nfs/dbraw/zinc/19/55/41/780195541.db2.gz LQDYTWOGOGSDSO-AEJSXWLSSA-N 1 2 273.333 -1.681 20 0 CAADLO CCOCC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)NC)C[C@@H]1O ZINC001219145349 780195544 /nfs/dbraw/zinc/19/55/44/780195544.db2.gz LQDYTWOGOGSDSO-AEJSXWLSSA-N 1 2 273.333 -1.681 20 0 CAADLO CCOCC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)NC)C[C@@H]1O ZINC001219145350 780195560 /nfs/dbraw/zinc/19/55/60/780195560.db2.gz LQDYTWOGOGSDSO-BBBLOLIVSA-N 1 2 273.333 -1.681 20 0 CAADLO CCOCC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)NC)C[C@@H]1O ZINC001219145350 780195565 /nfs/dbraw/zinc/19/55/65/780195565.db2.gz LQDYTWOGOGSDSO-BBBLOLIVSA-N 1 2 273.333 -1.681 20 0 CAADLO CCOCC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)N(C)C)C[C@@H]1O ZINC001219145499 780195658 /nfs/dbraw/zinc/19/56/58/780195658.db2.gz RPIMSQDIWUYLCI-MXWKQRLJSA-N 1 2 287.360 -1.339 20 0 CAADLO CCOCC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)N(C)C)C[C@@H]1O ZINC001219145499 780195664 /nfs/dbraw/zinc/19/56/64/780195664.db2.gz RPIMSQDIWUYLCI-MXWKQRLJSA-N 1 2 287.360 -1.339 20 0 CAADLO CCOCC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)NC2CC2)C[C@@H]1O ZINC001219140972 780195909 /nfs/dbraw/zinc/19/59/09/780195909.db2.gz ADFSWVPBAJZNIE-JLLWLGSASA-N 1 2 299.371 -1.149 20 0 CAADLO CCOCC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)NC2CC2)C[C@@H]1O ZINC001219140972 780195915 /nfs/dbraw/zinc/19/59/15/780195915.db2.gz ADFSWVPBAJZNIE-JLLWLGSASA-N 1 2 299.371 -1.149 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)CNC(N)=O)[C@@H](O)C1 ZINC001219163151 780196429 /nfs/dbraw/zinc/19/64/29/780196429.db2.gz IAKGBKFQSQAOSQ-XVMARJQXSA-N 1 2 273.293 -3.310 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)CNC(N)=O)[C@@H](O)C1 ZINC001219163151 780196435 /nfs/dbraw/zinc/19/64/35/780196435.db2.gz IAKGBKFQSQAOSQ-XVMARJQXSA-N 1 2 273.293 -3.310 20 0 CAADLO CC[C@@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)CSC)[C@@H](O)C1 ZINC001219158937 780196766 /nfs/dbraw/zinc/19/67/66/780196766.db2.gz VXXCIVFDUIKRNP-VGMNWLOBSA-N 1 2 275.374 -1.225 20 0 CAADLO CC[C@@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)CSC)[C@@H](O)C1 ZINC001219158937 780196772 /nfs/dbraw/zinc/19/67/72/780196772.db2.gz VXXCIVFDUIKRNP-VGMNWLOBSA-N 1 2 275.374 -1.225 20 0 CAADLO NC(=O)NCC(=O)N[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@@H]1O ZINC001219168832 780198326 /nfs/dbraw/zinc/19/83/26/780198326.db2.gz NTJVZJMGOVUDBG-CSMHCCOUSA-N 1 2 285.304 -3.296 20 0 CAADLO NC(=O)NCC(=O)N[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@@H]1O ZINC001219168832 780198334 /nfs/dbraw/zinc/19/83/34/780198334.db2.gz NTJVZJMGOVUDBG-CSMHCCOUSA-N 1 2 285.304 -3.296 20 0 CAADLO CC[C@@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)CNC(N)=O)[C@@H](O)C1 ZINC001219163464 780198519 /nfs/dbraw/zinc/19/85/19/780198519.db2.gz VGYBOWDFFMZOSA-CSMHCCOUSA-N 1 2 287.320 -2.920 20 0 CAADLO CC[C@@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)CNC(N)=O)[C@@H](O)C1 ZINC001219163464 780198522 /nfs/dbraw/zinc/19/85/22/780198522.db2.gz VGYBOWDFFMZOSA-CSMHCCOUSA-N 1 2 287.320 -2.920 20 0 CAADLO NC(=O)NCC(=O)N[C@@H]1C[N@H+](C/C=C/Cl)C[C@@H]1O ZINC001219163305 780198876 /nfs/dbraw/zinc/19/88/76/780198876.db2.gz NGQRXIPMJSDCPV-FLPBZWPXSA-N 1 2 276.724 -1.432 20 0 CAADLO NC(=O)NCC(=O)N[C@@H]1C[N@@H+](C/C=C/Cl)C[C@@H]1O ZINC001219163305 780198879 /nfs/dbraw/zinc/19/88/79/780198879.db2.gz NGQRXIPMJSDCPV-FLPBZWPXSA-N 1 2 276.724 -1.432 20 0 CAADLO Cc1oncc1C[N@H+]1C[C@@H](NC(=O)CNC(N)=O)[C@@H](O)C1 ZINC001219168718 780198970 /nfs/dbraw/zinc/19/89/70/780198970.db2.gz LIWPYFSDONHFTR-ZJUUUORDSA-N 1 2 297.315 -1.687 20 0 CAADLO Cc1oncc1C[N@@H+]1C[C@@H](NC(=O)CNC(N)=O)[C@@H](O)C1 ZINC001219168718 780198971 /nfs/dbraw/zinc/19/89/71/780198971.db2.gz LIWPYFSDONHFTR-ZJUUUORDSA-N 1 2 297.315 -1.687 20 0 CAADLO CN1CC[C@@H]([N@H+]2C[C@@H](NC(=O)CNC(N)=O)[C@@H](O)C2)C1=O ZINC001219163426 780199007 /nfs/dbraw/zinc/19/90/07/780199007.db2.gz SUPMZECZIRFBEU-HLTSFMKQSA-N 1 2 299.331 -2.953 20 0 CAADLO CN1CC[C@@H]([N@@H+]2C[C@@H](NC(=O)CNC(N)=O)[C@@H](O)C2)C1=O ZINC001219163426 780199009 /nfs/dbraw/zinc/19/90/09/780199009.db2.gz SUPMZECZIRFBEU-HLTSFMKQSA-N 1 2 299.331 -2.953 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)CCn2cncn2)[C@@H](O)C1 ZINC001219200880 780199503 /nfs/dbraw/zinc/19/95/03/780199503.db2.gz GRSHXIQZIKLOKM-BBBLOLIVSA-N 1 2 296.331 -2.297 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)CCn2cncn2)[C@@H](O)C1 ZINC001219200880 780199511 /nfs/dbraw/zinc/19/95/11/780199511.db2.gz GRSHXIQZIKLOKM-BBBLOLIVSA-N 1 2 296.331 -2.297 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)CCn2cccn2)[C@@H](O)C1 ZINC001219208055 780200195 /nfs/dbraw/zinc/20/01/95/780200195.db2.gz LKBPUZVCAFUHNF-AXFHLTTASA-N 1 2 295.343 -1.692 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)CCn2cccn2)[C@@H](O)C1 ZINC001219208055 780200199 /nfs/dbraw/zinc/20/01/99/780200199.db2.gz LKBPUZVCAFUHNF-AXFHLTTASA-N 1 2 295.343 -1.692 20 0 CAADLO CC(=O)N(C)CC(=O)N[C@@H]1C[N@@H+](CCF)C[C@@H]1O ZINC001219222023 780201210 /nfs/dbraw/zinc/20/12/10/780201210.db2.gz RGYOQRCWQAPYBF-ZJUUUORDSA-N 1 2 261.297 -1.405 20 0 CAADLO CC(=O)N(C)CC(=O)N[C@@H]1C[N@H+](CCF)C[C@@H]1O ZINC001219222023 780201207 /nfs/dbraw/zinc/20/12/07/780201207.db2.gz RGYOQRCWQAPYBF-ZJUUUORDSA-N 1 2 261.297 -1.405 20 0 CAADLO CC(=O)N(C)CC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(N)=O)C[C@@H]1O ZINC001219221707 780201756 /nfs/dbraw/zinc/20/17/56/780201756.db2.gz DHZWUUZUKXZUOY-SFGNSQDASA-N 1 2 286.332 -2.500 20 0 CAADLO CC(=O)N(C)CC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(N)=O)C[C@@H]1O ZINC001219221707 780201765 /nfs/dbraw/zinc/20/17/65/780201765.db2.gz DHZWUUZUKXZUOY-SFGNSQDASA-N 1 2 286.332 -2.500 20 0 CAADLO CCOCCCC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(N)=O)C[C@@H]1O ZINC001219248569 780202867 /nfs/dbraw/zinc/20/28/67/780202867.db2.gz ZRXOCQVSYNRDKF-MXWKQRLJSA-N 1 2 287.360 -1.162 20 0 CAADLO CCOCCCC(=O)N[C@@H]1C[N@H+]([C@H](C)C(N)=O)C[C@@H]1O ZINC001219248569 780202870 /nfs/dbraw/zinc/20/28/70/780202870.db2.gz ZRXOCQVSYNRDKF-MXWKQRLJSA-N 1 2 287.360 -1.162 20 0 CAADLO COCCCC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@@H]1O ZINC001219256572 780202989 /nfs/dbraw/zinc/20/29/89/780202989.db2.gz LKFZSCYOZDOBRA-NEPJUHHUSA-N 1 2 299.371 -1.193 20 0 CAADLO COCCCC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@@H]1O ZINC001219256572 780202995 /nfs/dbraw/zinc/20/29/95/780202995.db2.gz LKFZSCYOZDOBRA-NEPJUHHUSA-N 1 2 299.371 -1.193 20 0 CAADLO CCOCCCC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@@H]1O ZINC001219248305 780203020 /nfs/dbraw/zinc/20/30/20/780203020.db2.gz OGCWTSROZWALJJ-UTUOFQBUSA-N 1 2 299.371 -1.147 20 0 CAADLO CCOCCCC(=O)N[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@@H]1O ZINC001219248305 780203027 /nfs/dbraw/zinc/20/30/27/780203027.db2.gz OGCWTSROZWALJJ-UTUOFQBUSA-N 1 2 299.371 -1.147 20 0 CAADLO CCN(C)C(=O)C[N@H+]1C[C@@H](NC(=O)[C@@H](C)OC)[C@@H](O)C1 ZINC001219272374 780204224 /nfs/dbraw/zinc/20/42/24/780204224.db2.gz HTDPCOZJZLHVIR-MXWKQRLJSA-N 1 2 287.360 -1.339 20 0 CAADLO CCN(C)C(=O)C[N@@H+]1C[C@@H](NC(=O)[C@@H](C)OC)[C@@H](O)C1 ZINC001219272374 780204228 /nfs/dbraw/zinc/20/42/28/780204228.db2.gz HTDPCOZJZLHVIR-MXWKQRLJSA-N 1 2 287.360 -1.339 20 0 CAADLO COC(=O)NCC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(N)=O)C[C@@H]1O ZINC001219272640 780204541 /nfs/dbraw/zinc/20/45/41/780204541.db2.gz QRIYVODFVVLWTI-PRJMDXOYSA-N 1 2 288.304 -2.623 20 0 CAADLO COC(=O)NCC(=O)N[C@@H]1C[N@H+]([C@H](C)C(N)=O)C[C@@H]1O ZINC001219272640 780204548 /nfs/dbraw/zinc/20/45/48/780204548.db2.gz QRIYVODFVVLWTI-PRJMDXOYSA-N 1 2 288.304 -2.623 20 0 CAADLO COCCCC(=O)N[C@@H]1C[N@@H+]([C@H]2CCN(C)C2=O)C[C@@H]1O ZINC001219264565 780205202 /nfs/dbraw/zinc/20/52/02/780205202.db2.gz IWGRIMFXZHYCTN-WOPDTQHZSA-N 1 2 299.371 -1.195 20 0 CAADLO COCCCC(=O)N[C@@H]1C[N@H+]([C@H]2CCN(C)C2=O)C[C@@H]1O ZINC001219264565 780205208 /nfs/dbraw/zinc/20/52/08/780205208.db2.gz IWGRIMFXZHYCTN-WOPDTQHZSA-N 1 2 299.371 -1.195 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)CCCOC)[C@@H](O)C1 ZINC001219263457 780205344 /nfs/dbraw/zinc/20/53/44/780205344.db2.gz OVRDTZTVSQVXDN-MXWKQRLJSA-N 1 2 287.360 -1.291 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CCCOC)[C@@H](O)C1 ZINC001219263457 780205348 /nfs/dbraw/zinc/20/53/48/780205348.db2.gz OVRDTZTVSQVXDN-MXWKQRLJSA-N 1 2 287.360 -1.291 20 0 CAADLO CS(=O)(=O)CC(=O)N[C@@H]1C[N@H+](CC2CCC2)C[C@@H]1O ZINC001219291202 780206256 /nfs/dbraw/zinc/20/62/56/780206256.db2.gz NSTRMJSPEXKWNI-MNOVXSKESA-N 1 2 290.385 -1.008 20 0 CAADLO CS(=O)(=O)CC(=O)N[C@@H]1C[N@@H+](CC2CCC2)C[C@@H]1O ZINC001219291202 780206259 /nfs/dbraw/zinc/20/62/59/780206259.db2.gz NSTRMJSPEXKWNI-MNOVXSKESA-N 1 2 290.385 -1.008 20 0 CAADLO CO[C@@H](C)C(=O)N[C@@H]1C[N@H+](CCNC(=O)C2CC2)C[C@@H]1O ZINC001219288708 780206628 /nfs/dbraw/zinc/20/66/28/780206628.db2.gz CYVPNOSVASCCAR-WCQGTBRESA-N 1 2 299.371 -1.291 20 0 CAADLO CO[C@@H](C)C(=O)N[C@@H]1C[N@@H+](CCNC(=O)C2CC2)C[C@@H]1O ZINC001219288708 780206631 /nfs/dbraw/zinc/20/66/31/780206631.db2.gz CYVPNOSVASCCAR-WCQGTBRESA-N 1 2 299.371 -1.291 20 0 CAADLO CO[C@H](C)C(=O)N[C@@H]1C[N@H+](CCNC(=O)C2CC2)C[C@@H]1O ZINC001219288707 780206676 /nfs/dbraw/zinc/20/66/76/780206676.db2.gz CYVPNOSVASCCAR-JLLWLGSASA-N 1 2 299.371 -1.291 20 0 CAADLO CO[C@H](C)C(=O)N[C@@H]1C[N@@H+](CCNC(=O)C2CC2)C[C@@H]1O ZINC001219288707 780206679 /nfs/dbraw/zinc/20/66/79/780206679.db2.gz CYVPNOSVASCCAR-JLLWLGSASA-N 1 2 299.371 -1.291 20 0 CAADLO CS(=O)(=O)CC(=O)N[C@@H]1C[N@H+](CCC2CC2)C[C@@H]1O ZINC001219291222 780206717 /nfs/dbraw/zinc/20/67/17/780206717.db2.gz OLJWBEYTBXICGM-MNOVXSKESA-N 1 2 290.385 -1.008 20 0 CAADLO CS(=O)(=O)CC(=O)N[C@@H]1C[N@@H+](CCC2CC2)C[C@@H]1O ZINC001219291222 780206720 /nfs/dbraw/zinc/20/67/20/780206720.db2.gz OLJWBEYTBXICGM-MNOVXSKESA-N 1 2 290.385 -1.008 20 0 CAADLO CC(C)OCC(=O)N[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@@H]1O ZINC001219310913 780207572 /nfs/dbraw/zinc/20/75/72/780207572.db2.gz KHLORWRTPMFJIF-MNOVXSKESA-N 1 2 287.360 -1.339 20 0 CAADLO CC(C)OCC(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@@H]1O ZINC001219310913 780207577 /nfs/dbraw/zinc/20/75/77/780207577.db2.gz KHLORWRTPMFJIF-MNOVXSKESA-N 1 2 287.360 -1.339 20 0 CAADLO O=C(CC(F)(F)F)N[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@@H]1O ZINC001219309496 780208107 /nfs/dbraw/zinc/20/81/07/780208107.db2.gz RLBWVRLEWNJKRA-CSMHCCOUSA-N 1 2 295.261 -1.011 20 0 CAADLO O=C(CC(F)(F)F)N[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@@H]1O ZINC001219309496 780208112 /nfs/dbraw/zinc/20/81/12/780208112.db2.gz RLBWVRLEWNJKRA-CSMHCCOUSA-N 1 2 295.261 -1.011 20 0 CAADLO CCNC(=O)C[N@H+]1C[C@@H](NC(=O)C2=COCCC2)[C@@H](O)C1 ZINC001219328388 780209199 /nfs/dbraw/zinc/20/91/99/780209199.db2.gz LYIJBMZWFWPGAE-NEPJUHHUSA-N 1 2 297.355 -1.022 20 0 CAADLO CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)C2=COCCC2)[C@@H](O)C1 ZINC001219328388 780209206 /nfs/dbraw/zinc/20/92/06/780209206.db2.gz LYIJBMZWFWPGAE-NEPJUHHUSA-N 1 2 297.355 -1.022 20 0 CAADLO CCCOCC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@@H]1O ZINC001219318278 780209477 /nfs/dbraw/zinc/20/94/77/780209477.db2.gz NRGGJJGQECOOQW-NEPJUHHUSA-N 1 2 299.371 -1.193 20 0 CAADLO CCCOCC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@@H]1O ZINC001219318278 780209484 /nfs/dbraw/zinc/20/94/84/780209484.db2.gz NRGGJJGQECOOQW-NEPJUHHUSA-N 1 2 299.371 -1.193 20 0 CAADLO CCCOCC(=O)N[C@@H]1C[N@@H+]([C@@H](CC)C(N)=O)C[C@@H]1O ZINC001219316752 780209682 /nfs/dbraw/zinc/20/96/82/780209682.db2.gz WOVPFCVLXNFQTG-VWYCJHECSA-N 1 2 287.360 -1.162 20 0 CAADLO CCCOCC(=O)N[C@@H]1C[N@H+]([C@@H](CC)C(N)=O)C[C@@H]1O ZINC001219316752 780209689 /nfs/dbraw/zinc/20/96/89/780209689.db2.gz WOVPFCVLXNFQTG-VWYCJHECSA-N 1 2 287.360 -1.162 20 0 CAADLO CCCOCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC)C[C@@H]1O ZINC001219316809 780209804 /nfs/dbraw/zinc/20/98/04/780209804.db2.gz YMFVNVQEDYDUHC-AXFHLTTASA-N 1 2 287.360 -1.291 20 0 CAADLO CCCOCC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)NC)C[C@@H]1O ZINC001219316809 780209808 /nfs/dbraw/zinc/20/98/08/780209808.db2.gz YMFVNVQEDYDUHC-AXFHLTTASA-N 1 2 287.360 -1.291 20 0 CAADLO CCOCCC(=O)N[C@@H]1C[N@@H+]([C@H]2CCCNC2=O)C[C@@H]1O ZINC001219347484 780210748 /nfs/dbraw/zinc/21/07/48/780210748.db2.gz KIAWHOJQKSUFQQ-WOPDTQHZSA-N 1 2 299.371 -1.147 20 0 CAADLO CCOCCC(=O)N[C@@H]1C[N@H+]([C@H]2CCCNC2=O)C[C@@H]1O ZINC001219347484 780210753 /nfs/dbraw/zinc/21/07/53/780210753.db2.gz KIAWHOJQKSUFQQ-WOPDTQHZSA-N 1 2 299.371 -1.147 20 0 CAADLO CO[C@H](C)CC(=O)N[C@@H]1C[N@H+](CC(=O)NC2CC2)C[C@@H]1O ZINC001219338503 780210769 /nfs/dbraw/zinc/21/07/69/780210769.db2.gz DFCBONLNYWEFNJ-JLLWLGSASA-N 1 2 299.371 -1.149 20 0 CAADLO CO[C@H](C)CC(=O)N[C@@H]1C[N@@H+](CC(=O)NC2CC2)C[C@@H]1O ZINC001219338503 780210777 /nfs/dbraw/zinc/21/07/77/780210777.db2.gz DFCBONLNYWEFNJ-JLLWLGSASA-N 1 2 299.371 -1.149 20 0 CAADLO CCOCCC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@@H]1O ZINC001219347673 780210842 /nfs/dbraw/zinc/21/08/42/780210842.db2.gz PAWKRAXOXRJBHJ-MXWKQRLJSA-N 1 2 285.344 -1.537 20 0 CAADLO CCOCCC(=O)N[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@@H]1O ZINC001219347673 780210849 /nfs/dbraw/zinc/21/08/49/780210849.db2.gz PAWKRAXOXRJBHJ-MXWKQRLJSA-N 1 2 285.344 -1.537 20 0 CAADLO CCOCCC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(N)=O)C[C@@H]1O ZINC001219350953 780211181 /nfs/dbraw/zinc/21/11/81/780211181.db2.gz SDKLUMZLNUNDFT-BBBLOLIVSA-N 1 2 273.333 -1.552 20 0 CAADLO CCOCCC(=O)N[C@@H]1C[N@H+]([C@H](C)C(N)=O)C[C@@H]1O ZINC001219350953 780211186 /nfs/dbraw/zinc/21/11/86/780211186.db2.gz SDKLUMZLNUNDFT-BBBLOLIVSA-N 1 2 273.333 -1.552 20 0 CAADLO CCNC(=O)C[N@H+]1C[C@@H](NC(=O)C[C@H](C)OC)[C@@H](O)C1 ZINC001219338400 780211198 /nfs/dbraw/zinc/21/11/98/780211198.db2.gz CPVZXRRGKFRQGO-AXFHLTTASA-N 1 2 287.360 -1.291 20 0 CAADLO CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)C[C@H](C)OC)[C@@H](O)C1 ZINC001219338400 780211202 /nfs/dbraw/zinc/21/12/02/780211202.db2.gz CPVZXRRGKFRQGO-AXFHLTTASA-N 1 2 287.360 -1.291 20 0 CAADLO CCOCCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(N)=O)C[C@@H]1O ZINC001219350952 780211261 /nfs/dbraw/zinc/21/12/61/780211261.db2.gz SDKLUMZLNUNDFT-AEJSXWLSSA-N 1 2 273.333 -1.552 20 0 CAADLO CCOCCC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(N)=O)C[C@@H]1O ZINC001219350952 780211268 /nfs/dbraw/zinc/21/12/68/780211268.db2.gz SDKLUMZLNUNDFT-AEJSXWLSSA-N 1 2 273.333 -1.552 20 0 CAADLO CCNC(=O)C[N@H+]1C[C@@H](NC(=O)C[C@@H](C)OC)[C@@H](O)C1 ZINC001219338401 780211630 /nfs/dbraw/zinc/21/16/30/780211630.db2.gz CPVZXRRGKFRQGO-MXWKQRLJSA-N 1 2 287.360 -1.291 20 0 CAADLO CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)C[C@@H](C)OC)[C@@H](O)C1 ZINC001219338401 780211635 /nfs/dbraw/zinc/21/16/35/780211635.db2.gz CPVZXRRGKFRQGO-MXWKQRLJSA-N 1 2 287.360 -1.291 20 0 CAADLO COCCCCC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@@H]1O ZINC001219335395 780211655 /nfs/dbraw/zinc/21/16/55/780211655.db2.gz ZJJAKQWFNYNAAZ-UTUOFQBUSA-N 1 2 299.371 -1.147 20 0 CAADLO COCCCCC(=O)N[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@@H]1O ZINC001219335395 780211660 /nfs/dbraw/zinc/21/16/60/780211660.db2.gz ZJJAKQWFNYNAAZ-UTUOFQBUSA-N 1 2 299.371 -1.147 20 0 CAADLO CCOCCC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@@H]1O ZINC001219346690 780211672 /nfs/dbraw/zinc/21/16/72/780211672.db2.gz SIUKUSKZRFHQLJ-NEPJUHHUSA-N 1 2 299.371 -1.193 20 0 CAADLO CCOCCC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@@H]1O ZINC001219346690 780211676 /nfs/dbraw/zinc/21/16/76/780211676.db2.gz SIUKUSKZRFHQLJ-NEPJUHHUSA-N 1 2 299.371 -1.193 20 0 CAADLO CO[C@H](C)CC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@@H]1O ZINC001219342630 780211714 /nfs/dbraw/zinc/21/17/14/780211714.db2.gz CUYVZGLBVCLPMO-UTUOFQBUSA-N 1 2 299.371 -1.195 20 0 CAADLO CO[C@H](C)CC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@@H]1O ZINC001219342630 780211719 /nfs/dbraw/zinc/21/17/19/780211719.db2.gz CUYVZGLBVCLPMO-UTUOFQBUSA-N 1 2 299.371 -1.195 20 0 CAADLO COC[C@H](C)C(=O)N[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@@H]1O ZINC001219353952 780212162 /nfs/dbraw/zinc/21/21/62/780212162.db2.gz QYBSXQBUVKUMQA-TUAOUCFPSA-N 1 2 299.371 -1.338 20 0 CAADLO COC[C@H](C)C(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@@H]1O ZINC001219353952 780212168 /nfs/dbraw/zinc/21/21/68/780212168.db2.gz QYBSXQBUVKUMQA-TUAOUCFPSA-N 1 2 299.371 -1.338 20 0 CAADLO CCOCCC(=O)N[C@@H]1C[N@@H+]([C@@H](CC)C(N)=O)C[C@@H]1O ZINC001219352345 780213054 /nfs/dbraw/zinc/21/30/54/780213054.db2.gz WYZQSGCWKVXXTE-VWYCJHECSA-N 1 2 287.360 -1.162 20 0 CAADLO CCOCCC(=O)N[C@@H]1C[N@H+]([C@@H](CC)C(N)=O)C[C@@H]1O ZINC001219352345 780213058 /nfs/dbraw/zinc/21/30/58/780213058.db2.gz WYZQSGCWKVXXTE-VWYCJHECSA-N 1 2 287.360 -1.162 20 0 CAADLO COC[C@@H](C)C(=O)N[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@@H]1O ZINC001219353953 780213432 /nfs/dbraw/zinc/21/34/32/780213432.db2.gz QYBSXQBUVKUMQA-UTUOFQBUSA-N 1 2 299.371 -1.338 20 0 CAADLO COC[C@@H](C)C(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@@H]1O ZINC001219353953 780213436 /nfs/dbraw/zinc/21/34/36/780213436.db2.gz QYBSXQBUVKUMQA-UTUOFQBUSA-N 1 2 299.371 -1.338 20 0 CAADLO CCN(C)C(=O)C[N@H+]1C[C@@H](NC(=O)CC(N)=O)[C@@H](O)C1 ZINC001219402603 780216433 /nfs/dbraw/zinc/21/64/33/780216433.db2.gz DJFIHDCPSIHVGO-BDAKNGLRSA-N 1 2 286.332 -2.499 20 0 CAADLO CCN(C)C(=O)C[N@@H+]1C[C@@H](NC(=O)CC(N)=O)[C@@H](O)C1 ZINC001219402603 780216441 /nfs/dbraw/zinc/21/64/41/780216441.db2.gz DJFIHDCPSIHVGO-BDAKNGLRSA-N 1 2 286.332 -2.499 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)CC(N)=O)[C@@H](O)C1 ZINC001219404538 780217660 /nfs/dbraw/zinc/21/76/60/780217660.db2.gz VVTVPWMXAYKWBS-XVMARJQXSA-N 1 2 258.278 -3.103 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)CC(N)=O)[C@@H](O)C1 ZINC001219404538 780217662 /nfs/dbraw/zinc/21/76/62/780217662.db2.gz VVTVPWMXAYKWBS-XVMARJQXSA-N 1 2 258.278 -3.103 20 0 CAADLO CC(C)NC(=O)C[N@H+]1C[C@@H](NC(=O)CC(N)=O)[C@@H](O)C1 ZINC001219403010 780217682 /nfs/dbraw/zinc/21/76/82/780217682.db2.gz PCQJIXNTRXZECP-BDAKNGLRSA-N 1 2 286.332 -2.452 20 0 CAADLO CC(C)NC(=O)C[N@@H+]1C[C@@H](NC(=O)CC(N)=O)[C@@H](O)C1 ZINC001219403010 780217685 /nfs/dbraw/zinc/21/76/85/780217685.db2.gz PCQJIXNTRXZECP-BDAKNGLRSA-N 1 2 286.332 -2.452 20 0 CAADLO Cn1cc(C[N@H+]2C[C@@H](NC(=O)CC(N)=O)[C@@H](O)C2)cn1 ZINC001219403184 780218610 /nfs/dbraw/zinc/21/86/10/780218610.db2.gz UIIIPJLNCQEXCT-ZJUUUORDSA-N 1 2 281.316 -2.043 20 0 CAADLO Cn1cc(C[N@@H+]2C[C@@H](NC(=O)CC(N)=O)[C@@H](O)C2)cn1 ZINC001219403184 780218616 /nfs/dbraw/zinc/21/86/16/780218616.db2.gz UIIIPJLNCQEXCT-ZJUUUORDSA-N 1 2 281.316 -2.043 20 0 CAADLO C[C@H](C(=O)NC1CC1)[N@H+]1C[C@@H](NC(=O)CC(N)=O)[C@@H](O)C1 ZINC001219404599 780218689 /nfs/dbraw/zinc/21/86/89/780218689.db2.gz XODCGCGFBFYPNM-QNSHHTMESA-N 1 2 298.343 -2.310 20 0 CAADLO C[C@H](C(=O)NC1CC1)[N@@H+]1C[C@@H](NC(=O)CC(N)=O)[C@@H](O)C1 ZINC001219404599 780218693 /nfs/dbraw/zinc/21/86/93/780218693.db2.gz XODCGCGFBFYPNM-QNSHHTMESA-N 1 2 298.343 -2.310 20 0 CAADLO CC[C@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)CC(N)=O)[C@@H](O)C1 ZINC001219413182 780218983 /nfs/dbraw/zinc/21/89/83/780218983.db2.gz LJSLHXUUKWCKKV-PRJMDXOYSA-N 1 2 272.305 -2.713 20 0 CAADLO CC[C@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)CC(N)=O)[C@@H](O)C1 ZINC001219413182 780218987 /nfs/dbraw/zinc/21/89/87/780218987.db2.gz LJSLHXUUKWCKKV-PRJMDXOYSA-N 1 2 272.305 -2.713 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)/C=C\C2CC2)[C@@H](O)C1 ZINC001219420942 780219060 /nfs/dbraw/zinc/21/90/60/780219060.db2.gz ZKVJHHJZUPHDAG-MDQWJATQSA-N 1 2 267.329 -1.012 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)/C=C\C2CC2)[C@@H](O)C1 ZINC001219420942 780219066 /nfs/dbraw/zinc/21/90/66/780219066.db2.gz ZKVJHHJZUPHDAG-MDQWJATQSA-N 1 2 267.329 -1.012 20 0 CAADLO C[C@@H](C(=O)N(C)C)[N@H+]1C[C@@H](NC(=O)CC(N)=O)[C@@H](O)C1 ZINC001219412886 780219078 /nfs/dbraw/zinc/21/90/78/780219078.db2.gz HSOABKBXKWIHTI-YIZRAAEISA-N 1 2 286.332 -2.500 20 0 CAADLO C[C@@H](C(=O)N(C)C)[N@@H+]1C[C@@H](NC(=O)CC(N)=O)[C@@H](O)C1 ZINC001219412886 780219083 /nfs/dbraw/zinc/21/90/83/780219083.db2.gz HSOABKBXKWIHTI-YIZRAAEISA-N 1 2 286.332 -2.500 20 0 CAADLO NC(=O)CC(=O)N[C@@H]1C[N@@H+]([C@H]2CCC(=O)NC2=O)C[C@@H]1O ZINC001219413600 780219475 /nfs/dbraw/zinc/21/94/75/780219475.db2.gz WPGQZOMZFBHGIJ-CSMHCCOUSA-N 1 2 298.299 -3.172 20 0 CAADLO NC(=O)CC(=O)N[C@@H]1C[N@H+]([C@H]2CCC(=O)NC2=O)C[C@@H]1O ZINC001219413600 780219484 /nfs/dbraw/zinc/21/94/84/780219484.db2.gz WPGQZOMZFBHGIJ-CSMHCCOUSA-N 1 2 298.299 -3.172 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)CC(N)=O)[C@@H](O)C1 ZINC001219412850 780219560 /nfs/dbraw/zinc/21/95/60/780219560.db2.gz FWKZQGHOPGNGNF-PRJMDXOYSA-N 1 2 272.305 -2.842 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CC(N)=O)[C@@H](O)C1 ZINC001219412850 780219566 /nfs/dbraw/zinc/21/95/66/780219566.db2.gz FWKZQGHOPGNGNF-PRJMDXOYSA-N 1 2 272.305 -2.842 20 0 CAADLO CN1CC[C@@H]([N@H+]2C[C@@H](NC(=O)CC(N)=O)[C@@H](O)C2)C1=O ZINC001219412894 780219624 /nfs/dbraw/zinc/21/96/24/780219624.db2.gz HYKWQQXVHVLBIG-HLTSFMKQSA-N 1 2 284.316 -2.746 20 0 CAADLO CN1CC[C@@H]([N@@H+]2C[C@@H](NC(=O)CC(N)=O)[C@@H](O)C2)C1=O ZINC001219412894 780219633 /nfs/dbraw/zinc/21/96/33/780219633.db2.gz HYKWQQXVHVLBIG-HLTSFMKQSA-N 1 2 284.316 -2.746 20 0 CAADLO CN1CC[C@H]([N@H+]2C[C@@H](NC(=O)CC(N)=O)[C@@H](O)C2)C1=O ZINC001219412895 780219643 /nfs/dbraw/zinc/21/96/43/780219643.db2.gz HYKWQQXVHVLBIG-VGMNWLOBSA-N 1 2 284.316 -2.746 20 0 CAADLO CN1CC[C@H]([N@@H+]2C[C@@H](NC(=O)CC(N)=O)[C@@H](O)C2)C1=O ZINC001219412895 780219650 /nfs/dbraw/zinc/21/96/50/780219650.db2.gz HYKWQQXVHVLBIG-VGMNWLOBSA-N 1 2 284.316 -2.746 20 0 CAADLO NC(=O)CC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCC(=O)NC2=O)C[C@@H]1O ZINC001219413601 780220386 /nfs/dbraw/zinc/22/03/86/780220386.db2.gz WPGQZOMZFBHGIJ-PRJMDXOYSA-N 1 2 298.299 -3.172 20 0 CAADLO NC(=O)CC(=O)N[C@@H]1C[N@H+]([C@@H]2CCC(=O)NC2=O)C[C@@H]1O ZINC001219413601 780220391 /nfs/dbraw/zinc/22/03/91/780220391.db2.gz WPGQZOMZFBHGIJ-PRJMDXOYSA-N 1 2 298.299 -3.172 20 0 CAADLO COCC[N@H+]1C[C@@H](NC(=O)CCc2nc[nH]n2)[C@@H](O)C1 ZINC001219432724 780221016 /nfs/dbraw/zinc/22/10/16/780221016.db2.gz KMUVKBZJXYYWDF-ZJUUUORDSA-N 1 2 283.332 -1.455 20 0 CAADLO COCC[N@@H+]1C[C@@H](NC(=O)CCc2nc[nH]n2)[C@@H](O)C1 ZINC001219432724 780221018 /nfs/dbraw/zinc/22/10/18/780221018.db2.gz KMUVKBZJXYYWDF-ZJUUUORDSA-N 1 2 283.332 -1.455 20 0 CAADLO C/C=C(/C)C(=O)N[C@@H]1C[N@@H+]([C@H](C)C(N)=O)C[C@@H]1O ZINC001219443099 780221617 /nfs/dbraw/zinc/22/16/17/780221617.db2.gz IFSVSVSZPGOBNO-WAANEEPBSA-N 1 2 255.318 -1.012 20 0 CAADLO C/C=C(/C)C(=O)N[C@@H]1C[N@H+]([C@H](C)C(N)=O)C[C@@H]1O ZINC001219443099 780221624 /nfs/dbraw/zinc/22/16/24/780221624.db2.gz IFSVSVSZPGOBNO-WAANEEPBSA-N 1 2 255.318 -1.012 20 0 CAADLO C/C=C(\C)C(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC(N)=O)C[C@@H]1O ZINC001219448302 780221986 /nfs/dbraw/zinc/22/19/86/780221986.db2.gz SLRVQZZFCMHEIP-ZSJMHTLASA-N 1 2 298.343 -1.303 20 0 CAADLO C/C=C(\C)C(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)NC(N)=O)C[C@@H]1O ZINC001219448302 780221993 /nfs/dbraw/zinc/22/19/93/780221993.db2.gz SLRVQZZFCMHEIP-ZSJMHTLASA-N 1 2 298.343 -1.303 20 0 CAADLO C/C=C(\C)C(=O)N[C@@H]1C[N@@H+]([C@@H]2CCC(=O)NC2=O)C[C@@H]1O ZINC001219443662 780222161 /nfs/dbraw/zinc/22/21/61/780222161.db2.gz WRKIUTOXTRICSO-QUUIRENUSA-N 1 2 295.339 -1.081 20 0 CAADLO C/C=C(\C)C(=O)N[C@@H]1C[N@H+]([C@@H]2CCC(=O)NC2=O)C[C@@H]1O ZINC001219443662 780222164 /nfs/dbraw/zinc/22/21/64/780222164.db2.gz WRKIUTOXTRICSO-QUUIRENUSA-N 1 2 295.339 -1.081 20 0 CAADLO CCNC(=O)CC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(N)=O)C[C@@H]1O ZINC001219496017 780223391 /nfs/dbraw/zinc/22/33/91/780223391.db2.gz XVAYJDZBQLYONU-HLTSFMKQSA-N 1 2 286.332 -2.452 20 0 CAADLO CCNC(=O)CC(=O)N[C@@H]1C[N@H+]([C@H](C)C(N)=O)C[C@@H]1O ZINC001219496017 780223397 /nfs/dbraw/zinc/22/33/97/780223397.db2.gz XVAYJDZBQLYONU-HLTSFMKQSA-N 1 2 286.332 -2.452 20 0 CAADLO CC[C@@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)CC(=O)NC)[C@@H](O)C1 ZINC001219505931 780224500 /nfs/dbraw/zinc/22/45/00/780224500.db2.gz RKXWIDWCNTYWCK-VGMNWLOBSA-N 1 2 286.332 -2.452 20 0 CAADLO CC[C@@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)CC(=O)NC)[C@@H](O)C1 ZINC001219505931 780224507 /nfs/dbraw/zinc/22/45/07/780224507.db2.gz RKXWIDWCNTYWCK-VGMNWLOBSA-N 1 2 286.332 -2.452 20 0 CAADLO CNC(=O)CC(=O)N[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@@H]1O ZINC001219509743 780224790 /nfs/dbraw/zinc/22/47/90/780224790.db2.gz BCEPRVZJZUZBEX-VGMNWLOBSA-N 1 2 284.316 -2.828 20 0 CAADLO CNC(=O)CC(=O)N[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@@H]1O ZINC001219509743 780224791 /nfs/dbraw/zinc/22/47/91/780224791.db2.gz BCEPRVZJZUZBEX-VGMNWLOBSA-N 1 2 284.316 -2.828 20 0 CAADLO CNC(=O)CC(=O)N[C@@H]1C[N@H+](Cc2cncn2C)C[C@@H]1O ZINC001219508391 780225123 /nfs/dbraw/zinc/22/51/23/780225123.db2.gz ZFZLONOKSRLLAP-MNOVXSKESA-N 1 2 295.343 -1.783 20 0 CAADLO CNC(=O)CC(=O)N[C@@H]1C[N@@H+](Cc2cncn2C)C[C@@H]1O ZINC001219508391 780225131 /nfs/dbraw/zinc/22/51/31/780225131.db2.gz ZFZLONOKSRLLAP-MNOVXSKESA-N 1 2 295.343 -1.783 20 0 CAADLO CNC(=O)CC(=O)N[C@@H]1CN(Cc2c[nH+]cn2C)C[C@@H]1O ZINC001219508391 780225136 /nfs/dbraw/zinc/22/51/36/780225136.db2.gz ZFZLONOKSRLLAP-MNOVXSKESA-N 1 2 295.343 -1.783 20 0 CAADLO CNC(=O)CC(=O)N[C@@H]1C[N@H+](CC(=O)NC)C[C@@H]1O ZINC001219508117 780225529 /nfs/dbraw/zinc/22/55/29/780225529.db2.gz NGBRRDUUGOKGAM-SFYZADRCSA-N 1 2 272.305 -2.970 20 0 CAADLO CNC(=O)CC(=O)N[C@@H]1C[N@@H+](CC(=O)NC)C[C@@H]1O ZINC001219508117 780225536 /nfs/dbraw/zinc/22/55/36/780225536.db2.gz NGBRRDUUGOKGAM-SFYZADRCSA-N 1 2 272.305 -2.970 20 0 CAADLO CNC(=O)CC(=O)N[C@@H]1C[N@H+](CC(=O)NC2CC2)C[C@@H]1O ZINC001219510022 780225696 /nfs/dbraw/zinc/22/56/96/780225696.db2.gz FVXWKSQMXMMKSN-ZJUUUORDSA-N 1 2 298.343 -2.438 20 0 CAADLO CNC(=O)CC(=O)N[C@@H]1C[N@@H+](CC(=O)NC2CC2)C[C@@H]1O ZINC001219510022 780225700 /nfs/dbraw/zinc/22/57/00/780225700.db2.gz FVXWKSQMXMMKSN-ZJUUUORDSA-N 1 2 298.343 -2.438 20 0 CAADLO CNC(=O)CC(=O)N[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@@H]1O ZINC001219509826 780225734 /nfs/dbraw/zinc/22/57/34/780225734.db2.gz FNCOXCWQBXFDGQ-BDAKNGLRSA-N 1 2 286.332 -2.628 20 0 CAADLO CNC(=O)CC(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@@H]1O ZINC001219509826 780225740 /nfs/dbraw/zinc/22/57/40/780225740.db2.gz FNCOXCWQBXFDGQ-BDAKNGLRSA-N 1 2 286.332 -2.628 20 0 CAADLO CNC(=O)CC(=O)N[C@@H]1C[N@H+](Cc2cnoc2C)C[C@@H]1O ZINC001219510339 780225787 /nfs/dbraw/zinc/22/57/87/780225787.db2.gz KSOYKCYVAUBNCZ-MNOVXSKESA-N 1 2 296.327 -1.220 20 0 CAADLO CNC(=O)CC(=O)N[C@@H]1C[N@@H+](Cc2cnoc2C)C[C@@H]1O ZINC001219510339 780225791 /nfs/dbraw/zinc/22/57/91/780225791.db2.gz KSOYKCYVAUBNCZ-MNOVXSKESA-N 1 2 296.327 -1.220 20 0 CAADLO CNC(=O)CC(=O)N[C@@H]1C[N@@H+]([C@H]2CCN(C)C2=O)C[C@@H]1O ZINC001219506017 780225798 /nfs/dbraw/zinc/22/57/98/780225798.db2.gz WEWPSOWHIWKKIM-UTLUCORTSA-N 1 2 298.343 -2.486 20 0 CAADLO CNC(=O)CC(=O)N[C@@H]1C[N@H+]([C@H]2CCN(C)C2=O)C[C@@H]1O ZINC001219506017 780225804 /nfs/dbraw/zinc/22/58/04/780225804.db2.gz WEWPSOWHIWKKIM-UTLUCORTSA-N 1 2 298.343 -2.486 20 0 CAADLO C[C@H](NC(N)=O)C(=O)N[C@@H]1C[N@H+](C/C=C\Cl)C[C@@H]1O ZINC001219521747 780226557 /nfs/dbraw/zinc/22/65/57/780226557.db2.gz VKRQKZMUTILIIP-LHAMDJCCSA-N 1 2 290.751 -1.043 20 0 CAADLO C[C@H](NC(N)=O)C(=O)N[C@@H]1C[N@@H+](C/C=C\Cl)C[C@@H]1O ZINC001219521747 780226568 /nfs/dbraw/zinc/22/65/68/780226568.db2.gz VKRQKZMUTILIIP-LHAMDJCCSA-N 1 2 290.751 -1.043 20 0 CAADLO CNC(=O)C[N@H+]1C[C@@H](NC(=O)/C=C\c2ccc[nH]2)[C@@H](O)C1 ZINC001219516867 780226907 /nfs/dbraw/zinc/22/69/07/780226907.db2.gz IOMJVAKJDGXQAD-JYYSYOFASA-N 1 2 292.339 -1.065 20 0 CAADLO CNC(=O)C[N@@H+]1C[C@@H](NC(=O)/C=C\c2ccc[nH]2)[C@@H](O)C1 ZINC001219516867 780226911 /nfs/dbraw/zinc/22/69/11/780226911.db2.gz IOMJVAKJDGXQAD-JYYSYOFASA-N 1 2 292.339 -1.065 20 0 CAADLO CNC(=O)CC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)NC)C[C@@H]1O ZINC001219510110 780227259 /nfs/dbraw/zinc/22/72/59/780227259.db2.gz ISGGVXLGJVXQLB-HLTSFMKQSA-N 1 2 286.332 -2.582 20 0 CAADLO CNC(=O)CC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)NC)C[C@@H]1O ZINC001219510110 780227262 /nfs/dbraw/zinc/22/72/62/780227262.db2.gz ISGGVXLGJVXQLB-HLTSFMKQSA-N 1 2 286.332 -2.582 20 0 CAADLO CNC(=O)C[N@H+]1C[C@@H](NC(=O)/C=C/c2ccc[nH]2)[C@@H](O)C1 ZINC001219516868 780227364 /nfs/dbraw/zinc/22/73/64/780227364.db2.gz IOMJVAKJDGXQAD-RVAOTSRCSA-N 1 2 292.339 -1.065 20 0 CAADLO CNC(=O)C[N@@H+]1C[C@@H](NC(=O)/C=C/c2ccc[nH]2)[C@@H](O)C1 ZINC001219516868 780227370 /nfs/dbraw/zinc/22/73/70/780227370.db2.gz IOMJVAKJDGXQAD-RVAOTSRCSA-N 1 2 292.339 -1.065 20 0 CAADLO CC(C)(O)CC(=O)N[C@@H]1C[N@@H+]([C@H]2CCCNC2=O)C[C@@H]1O ZINC001219549235 780228700 /nfs/dbraw/zinc/22/87/00/780228700.db2.gz QBTRJTYSALESBQ-VWYCJHECSA-N 1 2 299.371 -1.413 20 0 CAADLO CC(C)(O)CC(=O)N[C@@H]1C[N@H+]([C@H]2CCCNC2=O)C[C@@H]1O ZINC001219549235 780228711 /nfs/dbraw/zinc/22/87/11/780228711.db2.gz QBTRJTYSALESBQ-VWYCJHECSA-N 1 2 299.371 -1.413 20 0 CAADLO CN(C)C(=O)C[N@H+]1C[C@@H](NC(=O)CC(C)(C)O)[C@@H](O)C1 ZINC001219549142 780229067 /nfs/dbraw/zinc/22/90/67/780229067.db2.gz MISPDQISHHCPRI-ZJUUUORDSA-N 1 2 287.360 -1.603 20 0 CAADLO CN(C)C(=O)C[N@@H+]1C[C@@H](NC(=O)CC(C)(C)O)[C@@H](O)C1 ZINC001219549142 780229076 /nfs/dbraw/zinc/22/90/76/780229076.db2.gz MISPDQISHHCPRI-ZJUUUORDSA-N 1 2 287.360 -1.603 20 0 CAADLO C[C@@H](C(N)=O)N1C[C@@H](NC(=O)CCc2[nH]cc[nH+]2)[C@@H](O)C1 ZINC001219551126 780229455 /nfs/dbraw/zinc/22/94/55/780229455.db2.gz ROQYSXXDHXYTKL-AEJSXWLSSA-N 1 2 295.343 -1.623 20 0 CAADLO CC[C@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)CC(C)(C)O)[C@@H](O)C1 ZINC001219552740 780229518 /nfs/dbraw/zinc/22/95/18/780229518.db2.gz IFQPEQMRXKUVOZ-BBBLOLIVSA-N 1 2 287.360 -1.427 20 0 CAADLO CC[C@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)CC(C)(C)O)[C@@H](O)C1 ZINC001219552740 780229526 /nfs/dbraw/zinc/22/95/26/780229526.db2.gz IFQPEQMRXKUVOZ-BBBLOLIVSA-N 1 2 287.360 -1.427 20 0 CAADLO CS(=O)(=O)N(CC[NH3+])C(=O)C(N)C(F)(F)F ZINC001219595431 780234914 /nfs/dbraw/zinc/23/49/14/780234914.db2.gz ABDPEEXZXPGCRZ-SCSAIBSYSA-N 1 2 263.241 -1.377 20 0 CAADLO Cc1cc(C)n(CCNC(=O)[C@@H]([NH3+])Cc2nn[nH]n2)n1 ZINC001219595667 780236555 /nfs/dbraw/zinc/23/65/55/780236555.db2.gz KGWWECLXWUXUHP-VIFPVBQESA-N 1 2 278.320 -1.301 20 0 CAADLO [NH3+][C@@H](Cc1nn[nH]n1)C(=O)NC[C@H](O)c1ccco1 ZINC001219604051 780236978 /nfs/dbraw/zinc/23/69/78/780236978.db2.gz IIONUJIQEXKXFC-BQBZGAKWSA-N 1 2 266.261 -1.488 20 0 CAADLO O=C(Cc1nn[nH]n1)NC[C@]1(O)CC[NH2+]C[C@@H]1F ZINC001219616275 780238138 /nfs/dbraw/zinc/23/81/38/780238138.db2.gz VGHAYPOOZJZCFB-IMTBSYHQSA-N 1 2 258.257 -2.079 20 0 CAADLO Nc1cn[nH]c1C(=O)NC[C@]1(O)CC[NH2+]C[C@@H]1F ZINC001219624506 780242303 /nfs/dbraw/zinc/24/23/03/780242303.db2.gz LTSHIUALQSAULZ-OIBJUYFYSA-N 1 2 257.269 -1.216 20 0 CAADLO [NH3+][C@@H](Cc1nn[nH]n1)C(=O)NCCN1CCCCO1 ZINC001219633101 780242855 /nfs/dbraw/zinc/24/28/55/780242855.db2.gz XDUCKXUWZSQSGO-QMMMGPOBSA-N 1 2 269.309 -1.787 20 0 CAADLO CC(C)C[C@H](CO)NC(=O)[C@@H]([NH3+])Cc1nn[nH]n1 ZINC001219630385 780243914 /nfs/dbraw/zinc/24/39/14/780243914.db2.gz BUDZQDBCBCYPAX-SFYZADRCSA-N 1 2 256.310 -1.407 20 0 CAADLO C[N@@H+]1CCO[C@@H](CNC(=O)Cn2cccc(N)c2=O)C1 ZINC001219694664 780250641 /nfs/dbraw/zinc/25/06/41/780250641.db2.gz LFHMNDTVXCPZDR-JTQLQIEISA-N 1 2 280.328 -1.123 20 0 CAADLO C[N@H+]1CCO[C@@H](CNC(=O)Cn2cccc(N)c2=O)C1 ZINC001219694664 780250648 /nfs/dbraw/zinc/25/06/48/780250648.db2.gz LFHMNDTVXCPZDR-JTQLQIEISA-N 1 2 280.328 -1.123 20 0 CAADLO CCS(=O)(=O)NCC(=O)N[C@@H]1C[N@H+](CCF)C[C@@H]1O ZINC001219733582 780253713 /nfs/dbraw/zinc/25/37/13/780253713.db2.gz VFIWGYLMLZIYSB-BDAKNGLRSA-N 1 2 297.352 -1.944 20 0 CAADLO CCS(=O)(=O)NCC(=O)N[C@@H]1C[N@@H+](CCF)C[C@@H]1O ZINC001219733582 780253719 /nfs/dbraw/zinc/25/37/19/780253719.db2.gz VFIWGYLMLZIYSB-BDAKNGLRSA-N 1 2 297.352 -1.944 20 0 CAADLO COCC(=O)N(C)CC(=O)N[C@@H]1C[N@H+](CCF)C[C@@H]1O ZINC001219740709 780254796 /nfs/dbraw/zinc/25/47/96/780254796.db2.gz GUGJAPHUYWQLJV-ZJUUUORDSA-N 1 2 291.323 -1.778 20 0 CAADLO COCC(=O)N(C)CC(=O)N[C@@H]1C[N@@H+](CCF)C[C@@H]1O ZINC001219740709 780254800 /nfs/dbraw/zinc/25/48/00/780254800.db2.gz GUGJAPHUYWQLJV-ZJUUUORDSA-N 1 2 291.323 -1.778 20 0 CAADLO CNC(=O)NCC(=O)N[C@@H]1C[N@H+](C/C=C/Cl)C[C@@H]1O ZINC001219751882 780257553 /nfs/dbraw/zinc/25/75/53/780257553.db2.gz GWYTWEOODZPSFH-ALCGYSGWSA-N 1 2 290.751 -1.171 20 0 CAADLO CNC(=O)NCC(=O)N[C@@H]1C[N@@H+](C/C=C/Cl)C[C@@H]1O ZINC001219751882 780257556 /nfs/dbraw/zinc/25/75/56/780257556.db2.gz GWYTWEOODZPSFH-ALCGYSGWSA-N 1 2 290.751 -1.171 20 0 CAADLO CNC(=O)NCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(N)=O)C[C@@H]1O ZINC001219752138 780258310 /nfs/dbraw/zinc/25/83/10/780258310.db2.gz RHDUHRUVNRMEDW-RNJXMRFFSA-N 1 2 287.320 -3.050 20 0 CAADLO CNC(=O)NCC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(N)=O)C[C@@H]1O ZINC001219752138 780258313 /nfs/dbraw/zinc/25/83/13/780258313.db2.gz RHDUHRUVNRMEDW-RNJXMRFFSA-N 1 2 287.320 -3.050 20 0 CAADLO CNC(=O)NCC(=O)N[C@@H]1C[N@H+](CCF)C[C@@H]1O ZINC001219753657 780259577 /nfs/dbraw/zinc/25/95/77/780259577.db2.gz FHVDAXGKNAMIQG-SFYZADRCSA-N 1 2 262.285 -1.954 20 0 CAADLO CNC(=O)NCC(=O)N[C@@H]1C[N@@H+](CCF)C[C@@H]1O ZINC001219753657 780259581 /nfs/dbraw/zinc/25/95/81/780259581.db2.gz FHVDAXGKNAMIQG-SFYZADRCSA-N 1 2 262.285 -1.954 20 0 CAADLO CC(C)(C(N)=O)C(=O)N[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@@H]1O ZINC001219845341 780268632 /nfs/dbraw/zinc/26/86/32/780268632.db2.gz GYZYFDIYLUIXMD-VGMNWLOBSA-N 1 2 298.343 -2.452 20 0 CAADLO CC(C)(C(N)=O)C(=O)N[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@@H]1O ZINC001219845341 780268639 /nfs/dbraw/zinc/26/86/39/780268639.db2.gz GYZYFDIYLUIXMD-VGMNWLOBSA-N 1 2 298.343 -2.452 20 0 CAADLO COC(=O)[C@@H](NC(=O)[C@@H]([NH3+])Cc1nn[nH]n1)[C@@H](C)O ZINC001219880100 780272302 /nfs/dbraw/zinc/27/23/02/780272302.db2.gz UJYMDUBUIZBTAN-ZDLURKLDSA-N 1 2 272.265 -2.892 20 0 CAADLO CC[C@H](C)[C@@H](CO)NC(=O)[C@@H]([NH3+])Cc1nn[nH]n1 ZINC001219882815 780272570 /nfs/dbraw/zinc/27/25/70/780272570.db2.gz OBBDXOCBHUPKOI-BIIVOSGPSA-N 1 2 256.310 -1.407 20 0 CAADLO COC(=O)[C@@H]([NH3+])CC(=O)N[C@@]12C[C@@H]1CN(C(C)=O)C2 ZINC001219890132 780272620 /nfs/dbraw/zinc/27/26/20/780272620.db2.gz FLZHOBIKBNYPHM-VDDIYKPWSA-N 1 2 269.301 -1.386 20 0 CAADLO CCOC(=O)CC(=N)NC(=O)[C@@H]([NH3+])Cc1nn[nH]n1 ZINC001219883214 780273647 /nfs/dbraw/zinc/27/36/47/780273647.db2.gz RQLXLTSKSOKFTM-YFKPBYRVSA-N 1 2 269.265 -1.884 20 0 CAADLO CC(=O)N1C[C@@H]2C[C@]2(NC(=O)[C@@H]([NH3+])Cc2nn[nH]n2)C1 ZINC001219891836 780275301 /nfs/dbraw/zinc/27/53/01/780275301.db2.gz ZPOPKBIUCVHYLS-LAEOZQHASA-N 1 2 279.304 -2.194 20 0 CAADLO O=C(N[C@@H]1SC(=O)NC1=O)[C@]12C[NH2+]C[C@H]1CCN2 ZINC001219903789 780275387 /nfs/dbraw/zinc/27/53/87/780275387.db2.gz HJYSCJCNYXUIHZ-LIGPWKHUSA-N 1 2 270.314 -1.637 20 0 CAADLO O=C(N[C@@H]1SC(=O)NC1=O)[C@H]1COC2(C[NH2+]C2)CN1 ZINC001219904162 780275794 /nfs/dbraw/zinc/27/57/94/780275794.db2.gz SNFKHIFSXCZSJG-SVGQVSJJSA-N 1 2 286.313 -2.258 20 0 CAADLO O=C(N[C@H]1SC(=O)NC1=O)[C@@H]1COC2(C[NH2+]C2)CN1 ZINC001219904163 780275896 /nfs/dbraw/zinc/27/58/96/780275896.db2.gz SNFKHIFSXCZSJG-XNCJUZBTSA-N 1 2 286.313 -2.258 20 0 CAADLO COC(=O)[C@@H]([NH3+])CCC(=O)N[C@H]1C=CS(=O)(=O)C1 ZINC001219945292 780278289 /nfs/dbraw/zinc/27/82/89/780278289.db2.gz GVLOBYNCLGGVHM-YUMQZZPRSA-N 1 2 276.314 -1.306 20 0 CAADLO COC(=O)[C@@H]([NH3+])CC(=O)NCCNC(=O)c1ccncc1 ZINC001219936586 780278362 /nfs/dbraw/zinc/27/83/62/780278362.db2.gz LLOQDQWKDWTVBD-JTQLQIEISA-N 1 2 294.311 -1.182 20 0 CAADLO [NH3+][C@@H](Cc1nn[nH]n1)C(=O)N[C@@H]1C=CS(=O)(=O)C1 ZINC001219945698 780279683 /nfs/dbraw/zinc/27/96/83/780279683.db2.gz QEKSSZPTUHOIBU-RITPCOANSA-N 1 2 272.290 -2.504 20 0 CAADLO [NH3+][C@@H](Cc1nn[nH]n1)C(=O)NC[C@H]1CCC(=O)N1 ZINC001219959491 780281433 /nfs/dbraw/zinc/28/14/33/780281433.db2.gz XBHNFYVVWYFXIW-RITPCOANSA-N 1 2 253.266 -2.536 20 0 CAADLO COC(=O)[C@@H](N)CC(=O)N[C@H]1C[NH2+][C@H](C(=O)OC)C1 ZINC001219965339 780283230 /nfs/dbraw/zinc/28/32/30/780283230.db2.gz JWGONTKDVQLRLP-CSMHCCOUSA-N 1 2 273.289 -2.104 20 0 CAADLO COC(=O)[C@@H]1C[C@@H](NC(=O)Cn2cccc(N)c2=O)C[NH2+]1 ZINC001219965316 780283535 /nfs/dbraw/zinc/28/35/35/780283535.db2.gz JFNRZBJGPFHYLU-SCZZXKLOSA-N 1 2 294.311 -1.550 20 0 CAADLO COCC1(C(=O)N[C@@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@@H]2O)CC1 ZINC001220004413 780287832 /nfs/dbraw/zinc/28/78/32/780287832.db2.gz LKQFGNANXKBHRC-MXWKQRLJSA-N 1 2 297.355 -1.537 20 0 CAADLO COCC1(C(=O)N[C@@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@@H]2O)CC1 ZINC001220004413 780287839 /nfs/dbraw/zinc/28/78/39/780287839.db2.gz LKQFGNANXKBHRC-MXWKQRLJSA-N 1 2 297.355 -1.537 20 0 CAADLO COCC1(C(=O)N[C@@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@@H]2O)CC1 ZINC001220004414 780287882 /nfs/dbraw/zinc/28/78/82/780287882.db2.gz LKQFGNANXKBHRC-VWYCJHECSA-N 1 2 297.355 -1.537 20 0 CAADLO COCC1(C(=O)N[C@@H]2C[N@H+]([C@H]3CCNC3=O)C[C@@H]2O)CC1 ZINC001220004414 780287894 /nfs/dbraw/zinc/28/78/94/780287894.db2.gz LKQFGNANXKBHRC-VWYCJHECSA-N 1 2 297.355 -1.537 20 0 CAADLO COC(=O)[C@@H]([NH3+])CC(=O)N[C@H]1CCC(=O)N(C)C1 ZINC001220007789 780289257 /nfs/dbraw/zinc/28/92/57/780289257.db2.gz XQTUIFSWKGDQBM-YUMQZZPRSA-N 1 2 257.290 -1.386 20 0 CAADLO CC[C@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)C2(COC)CC2)[C@@H](O)C1 ZINC001220007474 780289579 /nfs/dbraw/zinc/28/95/79/780289579.db2.gz XBHQSDIMUDJJCT-MXWKQRLJSA-N 1 2 299.371 -1.162 20 0 CAADLO CC[C@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)C2(COC)CC2)[C@@H](O)C1 ZINC001220007474 780289588 /nfs/dbraw/zinc/28/95/88/780289588.db2.gz XBHQSDIMUDJJCT-MXWKQRLJSA-N 1 2 299.371 -1.162 20 0 CAADLO CN1C[C@H](NC(=O)[C@@H]([NH3+])Cc2nn[nH]n2)CCC1=O ZINC001220005364 780289624 /nfs/dbraw/zinc/28/96/24/780289624.db2.gz YILZBQXWVUQBIR-RQJHMYQMSA-N 1 2 267.293 -2.194 20 0 CAADLO C[NH+]1CC(NC(=O)Cn2cnc3c2nc(N)[nH]c3=O)C1 ZINC001220013377 780291564 /nfs/dbraw/zinc/29/15/64/780291564.db2.gz TWZVRXPPIIRCJB-UHFFFAOYSA-N 1 2 277.288 -1.456 20 0 CAADLO CC(C)[C@](C)(NC(=O)[C@@H]([NH3+])Cc1nn[nH]n1)C(N)=O ZINC001220022757 780293161 /nfs/dbraw/zinc/29/31/61/780293161.db2.gz KMUOIMATDYPVNI-WKEGUHRASA-N 1 2 269.309 -1.914 20 0 CAADLO CC(C)(CNC(=O)[C@@H]([NH3+])Cc1nn[nH]n1)C(N)=O ZINC001220032946 780295329 /nfs/dbraw/zinc/29/53/29/780295329.db2.gz DTRIMOGNDTZILC-YFKPBYRVSA-N 1 2 255.282 -2.303 20 0 CAADLO COC(=O)CCCCCNC(=O)[C@@H]([NH3+])Cc1nn[nH]n1 ZINC001220047703 780298028 /nfs/dbraw/zinc/29/80/28/780298028.db2.gz CSIVNRYMOYWIMP-QMMMGPOBSA-N 1 2 284.320 -1.081 20 0 CAADLO COCC1(NC(=O)[C@@H]([NH3+])Cc2nn[nH]n2)CCC1 ZINC001220063844 780298548 /nfs/dbraw/zinc/29/85/48/780298548.db2.gz GYZJKLNGCTVLSZ-ZETCQYMHSA-N 1 2 254.294 -1.245 20 0 CAADLO [NH3+][C@@H](Cc1nn[nH]n1)C(=O)NCCc1cc[nH]n1 ZINC001220062431 780298847 /nfs/dbraw/zinc/29/88/47/780298847.db2.gz YCIAFWVCLMAJNO-ZETCQYMHSA-N 1 2 250.266 -1.849 20 0 CAADLO CCOC(=O)C(C)(C)NC(=O)[C@@H]([NH3+])Cc1nn[nH]n1 ZINC001220063941 780298898 /nfs/dbraw/zinc/29/88/98/780298898.db2.gz KJBFKYGFRPQPTF-LURJTMIESA-N 1 2 270.293 -1.473 20 0 CAADLO Cn1cc[nH+]c1CCC(=O)N[C@@H]1CN(CC(N)=O)C[C@@H]1O ZINC001220053237 780299521 /nfs/dbraw/zinc/29/95/21/780299521.db2.gz ASLBJNMYRUMENP-ZJUUUORDSA-N 1 2 295.343 -2.001 20 0 CAADLO COC(=O)[C@H](CCC(=O)[O-])NC(=O)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220104969 780303643 /nfs/dbraw/zinc/30/36/43/780303643.db2.gz QOHDIIGLWRIUHQ-MWODSPESSA-N 1 2 299.327 -1.540 20 0 CAADLO COC(=O)[C@H](CCC(=O)[O-])NC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001220104212 780304030 /nfs/dbraw/zinc/30/40/30/780304030.db2.gz AHYWAYLVBCTZKD-AATLWQCWSA-N 1 2 299.327 -1.541 20 0 CAADLO COC(=O)[C@H](CCC(=O)[O-])NC(=O)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220104971 780304408 /nfs/dbraw/zinc/30/44/08/780304408.db2.gz QOHDIIGLWRIUHQ-VYUIOLGVSA-N 1 2 299.327 -1.540 20 0 CAADLO [NH3+][C@@H](Cc1nn[nH]n1)C(=O)NC[C@@H](O)c1ccc(O)cc1 ZINC001220112819 780305303 /nfs/dbraw/zinc/30/53/03/780305303.db2.gz BCWOXXAAHXIZRI-VHSXEESVSA-N 1 2 292.299 -1.375 20 0 CAADLO COC(=O)[C@@H]([NH3+])CC(=O)N[C@@H]1C[C@H](CO)[C@@H](O)[C@H]1O ZINC001220117392 780305585 /nfs/dbraw/zinc/30/55/85/780305585.db2.gz KFQSFHNMFVMTFJ-RFCKSZSTSA-N 1 2 276.289 -2.904 20 0 CAADLO COC(=O)[C@@H]([NH3+])CC(=O)NC(CO)(CO)CO ZINC001220108470 780305653 /nfs/dbraw/zinc/30/56/53/780305653.db2.gz SATDXLPJCYEDGG-LURJTMIESA-N 1 2 250.251 -3.291 20 0 CAADLO CCC(CO)(CO)NC(=O)[C@@H]([NH3+])Cc1nn[nH]n1 ZINC001220109530 780306608 /nfs/dbraw/zinc/30/66/08/780306608.db2.gz CLHYMAUWQBEFEI-LURJTMIESA-N 1 2 258.282 -2.681 20 0 CAADLO [NH3+][C@@H](Cc1nn[nH]n1)C(=O)NCC1(F)CCOCC1 ZINC001220136720 780307100 /nfs/dbraw/zinc/30/71/00/780307100.db2.gz DLDZNCJTBIGAHR-ZETCQYMHSA-N 1 2 272.284 -1.296 20 0 CAADLO N=C(NC(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1)SCCS(=O)(=O)[O-] ZINC001220127111 780307706 /nfs/dbraw/zinc/30/77/06/780307706.db2.gz JPPIBXIKURVQQZ-RITPCOANSA-N 1 2 296.374 -1.652 20 0 CAADLO COC(=O)[C@@H]([NH3+])CC(=O)N[C@@H]1CCOC[C@H]1OC ZINC001220141401 780309588 /nfs/dbraw/zinc/30/95/88/780309588.db2.gz LSVYBTOIOJNZGD-DJLDLDEBSA-N 1 2 260.290 -1.203 20 0 CAADLO C[C@H](CC(N)=O)C(=O)N[C@@H]1C[N@H+](CCF)C[C@@H]1O ZINC001220137967 780310131 /nfs/dbraw/zinc/31/01/31/780310131.db2.gz NEOKJSQWFRNEGA-HLTSFMKQSA-N 1 2 261.297 -1.371 20 0 CAADLO C[C@H](CC(N)=O)C(=O)N[C@@H]1C[N@@H+](CCF)C[C@@H]1O ZINC001220137967 780310143 /nfs/dbraw/zinc/31/01/43/780310143.db2.gz NEOKJSQWFRNEGA-HLTSFMKQSA-N 1 2 261.297 -1.371 20 0 CAADLO CC(C)[NH+]1CC(NC(=O)[C@@H]([NH3+])Cc2nnn[n-]2)C1 ZINC001220159480 780313476 /nfs/dbraw/zinc/31/34/76/780313476.db2.gz PHECLXJEIBMYEK-QMMMGPOBSA-N 1 2 253.310 -1.722 20 0 CAADLO O=C(CCCF)N[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@@H]1O ZINC001220154810 780314229 /nfs/dbraw/zinc/31/42/29/780314229.db2.gz MZWJMNDHGXHLPT-UTLUCORTSA-N 1 2 273.308 -1.214 20 0 CAADLO O=C(CCCF)N[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@@H]1O ZINC001220154810 780314233 /nfs/dbraw/zinc/31/42/33/780314233.db2.gz MZWJMNDHGXHLPT-UTLUCORTSA-N 1 2 273.308 -1.214 20 0 CAADLO [NH3+][C@@H](Cc1nn[nH]n1)C(=O)N[C@@H]1COCCC12OCCO2 ZINC001220170757 780314269 /nfs/dbraw/zinc/31/42/69/780314269.db2.gz SXUBMCNAKSNSNN-JGVFFNPUSA-N 1 2 298.303 -2.282 20 0 CAADLO CCC1(CNC(=O)[C@@H]([NH3+])Cc2nn[nH]n2)COC1 ZINC001220170851 780315617 /nfs/dbraw/zinc/31/56/17/780315617.db2.gz WTDRLTFENQVSLT-ZETCQYMHSA-N 1 2 254.294 -1.388 20 0 CAADLO C[C@H](NC(=O)[C@@H]([NH3+])Cc1nn[nH]n1)c1cncnc1 ZINC001220183412 780318904 /nfs/dbraw/zinc/31/89/04/780318904.db2.gz OABRALMMDPDWMF-XPUUQOCRSA-N 1 2 262.277 -1.263 20 0 CAADLO CC(C)(C)[C@H](CO)NC(=O)[C@@H]([NH3+])Cc1nn[nH]n1 ZINC001220217073 780322484 /nfs/dbraw/zinc/32/24/84/780322484.db2.gz KIGCZYOGAVWTHY-BQBZGAKWSA-N 1 2 256.310 -1.407 20 0 CAADLO NC(=O)C(=O)N[C@@H]1C[N@H+](C[C@@H](O)CC(F)(F)F)C[C@@H]1O ZINC001220242897 780324126 /nfs/dbraw/zinc/32/41/26/780324126.db2.gz FKBSPOLHWPELNI-XVMARJQXSA-N 1 2 299.249 -2.054 20 0 CAADLO NC(=O)C(=O)N[C@@H]1C[N@@H+](C[C@@H](O)CC(F)(F)F)C[C@@H]1O ZINC001220242897 780324132 /nfs/dbraw/zinc/32/41/32/780324132.db2.gz FKBSPOLHWPELNI-XVMARJQXSA-N 1 2 299.249 -2.054 20 0 CAADLO CCCC[C@@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)C(N)=O)[C@@H](O)C1 ZINC001220243938 780324596 /nfs/dbraw/zinc/32/45/96/780324596.db2.gz WADICMYQJNYFAK-VGMNWLOBSA-N 1 2 286.332 -2.323 20 0 CAADLO CCCC[C@@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)C(N)=O)[C@@H](O)C1 ZINC001220243938 780324602 /nfs/dbraw/zinc/32/46/02/780324602.db2.gz WADICMYQJNYFAK-VGMNWLOBSA-N 1 2 286.332 -2.323 20 0 CAADLO NC(=O)C(=O)N[C@@H]1C[N@H+](CCOCC(F)F)C[C@@H]1O ZINC001220244105 780325100 /nfs/dbraw/zinc/32/51/00/780325100.db2.gz YUKFTRSCJHASRJ-RQJHMYQMSA-N 1 2 281.259 -2.085 20 0 CAADLO NC(=O)C(=O)N[C@@H]1C[N@@H+](CCOCC(F)F)C[C@@H]1O ZINC001220244105 780325106 /nfs/dbraw/zinc/32/51/06/780325106.db2.gz YUKFTRSCJHASRJ-RQJHMYQMSA-N 1 2 281.259 -2.085 20 0 CAADLO CC(C)C[C@H](NC(=O)C[NH3+])C(=O)NCc1n[nH]c(=O)[nH]1 ZINC001220251976 780326289 /nfs/dbraw/zinc/32/62/89/780326289.db2.gz KXITZPUZPKQUOO-ZETCQYMHSA-N 1 2 284.320 -1.384 20 0 CAADLO CC(C)(C)OC[C@H]([NH3+])C(=O)NCC(=O)NCc1nnc[nH]1 ZINC001220250363 780326617 /nfs/dbraw/zinc/32/66/17/780326617.db2.gz YUJGYHGCKBTBRF-QMMMGPOBSA-N 1 2 298.347 -1.321 20 0 CAADLO C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)NCc1nnc[nH]1 ZINC001220250163 780326940 /nfs/dbraw/zinc/32/69/40/780326940.db2.gz QDFCSJBADKFNFU-WDSKDSINSA-N 1 2 256.266 -2.755 20 0 CAADLO O=C(NCc1n[nH]c(=O)[nH]1)[C@H]1COC2(C[NH2+]C2)CN1 ZINC001220251677 780327052 /nfs/dbraw/zinc/32/70/52/780327052.db2.gz BJHUVBLGSZKYLS-ZCFIWIBFSA-N 1 2 268.277 -2.543 20 0 CAADLO CC[C@@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)C2(C(N)=O)CC2)[C@@H](O)C1 ZINC001220257641 780327256 /nfs/dbraw/zinc/32/72/56/780327256.db2.gz IACUPXZWIVOWRD-VGMNWLOBSA-N 1 2 298.343 -2.323 20 0 CAADLO CC[C@@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)C2(C(N)=O)CC2)[C@@H](O)C1 ZINC001220257641 780327260 /nfs/dbraw/zinc/32/72/60/780327260.db2.gz IACUPXZWIVOWRD-VGMNWLOBSA-N 1 2 298.343 -2.323 20 0 CAADLO [NH3+][C@@H](Cc1nn[nH]n1)C(=O)N[C@H]1CCc2n[nH]cc2C1 ZINC001220261064 780328799 /nfs/dbraw/zinc/32/87/99/780328799.db2.gz PLLKZNMMOLAFHW-YUMQZZPRSA-N 1 2 276.304 -1.534 20 0 CAADLO C[NH+](C)CCC(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[nH]2)C[C@@H]1O ZINC001220275138 780330606 /nfs/dbraw/zinc/33/06/06/780330606.db2.gz QAXZSUBIVBWAQW-BDAKNGLRSA-N 1 2 298.347 -1.877 20 0 CAADLO CC(=O)OC[C@H]([NH3+])C(=O)N[C@@H](CO)Cc1cnc[nH]1 ZINC001220291269 780331368 /nfs/dbraw/zinc/33/13/68/780331368.db2.gz QDQSBSLJAWFADG-ZJUUUORDSA-N 1 2 270.289 -1.680 20 0 CAADLO CC[N@@H+]1C[C@@H](NC(=O)CCCS(C)(=O)=O)[C@@H](O)C1 ZINC001220536967 780361295 /nfs/dbraw/zinc/36/12/95/780361295.db2.gz VYRYOMHCCNSMSC-ZJUUUORDSA-N 1 2 278.374 -1.008 20 0 CAADLO C[C@@H](NC(=O)[C@@H]([NH3+])Cc1nn[nH]n1)c1cnn(C)c1 ZINC001220308899 780333180 /nfs/dbraw/zinc/33/31/80/780333180.db2.gz RBHGBWJNGBAZLC-SVRRBLITSA-N 1 2 264.293 -1.320 20 0 CAADLO [NH3+][C@@H](Cc1nn[nH]n1)C(=O)NC[C@H]1CNC(=O)CO1 ZINC001220315623 780334533 /nfs/dbraw/zinc/33/45/33/780334533.db2.gz GDJGCYVJXCOWLZ-RITPCOANSA-N 1 2 269.265 -3.299 20 0 CAADLO Cc1cc(NC(=O)[C@@H]([NH3+])Cc2nn[nH]n2)n(N)c(=O)c1 ZINC001220323803 780338274 /nfs/dbraw/zinc/33/82/74/780338274.db2.gz MZFWVUGXWMDFSV-LURJTMIESA-N 1 2 278.276 -2.108 20 0 CAADLO O=C(N[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@@H]1O)C1(CF)CC1 ZINC001220336132 780339586 /nfs/dbraw/zinc/33/95/86/780339586.db2.gz HNRUPGVSRKCVRW-UTLUCORTSA-N 1 2 285.319 -1.214 20 0 CAADLO O=C(N[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@@H]1O)C1(CF)CC1 ZINC001220336132 780339591 /nfs/dbraw/zinc/33/95/91/780339591.db2.gz HNRUPGVSRKCVRW-UTLUCORTSA-N 1 2 285.319 -1.214 20 0 CAADLO [NH3+][C@@H](Cc1nn[nH]n1)C(=O)NCc1ccc(Cl)nn1 ZINC001220368390 780340383 /nfs/dbraw/zinc/34/03/83/780340383.db2.gz DBMZOROZDMUODS-LURJTMIESA-N 1 2 282.695 -1.171 20 0 CAADLO CCOC(=O)C1(CNC(=O)[C@@H]([NH3+])Cc2nn[nH]n2)CCC1 ZINC001220370836 780341206 /nfs/dbraw/zinc/34/12/06/780341206.db2.gz FVDGBSWLLSLSEG-QMMMGPOBSA-N 1 2 296.331 -1.081 20 0 CAADLO C[C@H](NC(=O)[C@@H]([NH3+])Cc1nn[nH]n1)c1cnccn1 ZINC001220368329 780341638 /nfs/dbraw/zinc/34/16/38/780341638.db2.gz CERYYBGGXPUJDM-BQBZGAKWSA-N 1 2 262.277 -1.263 20 0 CAADLO [NH3+][C@@H](Cc1nn[nH]n1)C(=O)NCc1ncccc1O ZINC001220389719 780343073 /nfs/dbraw/zinc/34/30/73/780343073.db2.gz COJXEELAMJPFQS-LURJTMIESA-N 1 2 263.261 -1.514 20 0 CAADLO O=C(CCc1cnn[nH]1)N[C@@H]1C[N@H+](CCO)C[C@@H]1O ZINC001220391639 780344194 /nfs/dbraw/zinc/34/41/94/780344194.db2.gz MSWRATWQWJFCGY-ZJUUUORDSA-N 1 2 269.305 -2.109 20 0 CAADLO O=C(CCc1cnn[nH]1)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001220391639 780344198 /nfs/dbraw/zinc/34/41/98/780344198.db2.gz MSWRATWQWJFCGY-ZJUUUORDSA-N 1 2 269.305 -2.109 20 0 CAADLO COC[C@@H](C)[N@H+]1C[C@@H](NC(=O)CCc2cnn[nH]2)[C@@H](O)C1 ZINC001220391394 780344711 /nfs/dbraw/zinc/34/47/11/780344711.db2.gz HVJXRMVXQKGTLK-JLLWLGSASA-N 1 2 297.359 -1.067 20 0 CAADLO COC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CCc2cnn[nH]2)[C@@H](O)C1 ZINC001220391394 780344719 /nfs/dbraw/zinc/34/47/19/780344719.db2.gz HVJXRMVXQKGTLK-JLLWLGSASA-N 1 2 297.359 -1.067 20 0 CAADLO COC(=O)[C@H]1CC[C@@H](NC(=O)[C@@H]([NH3+])Cc2nn[nH]n2)C1 ZINC001220405928 780345999 /nfs/dbraw/zinc/34/59/99/780345999.db2.gz GRVNETOJXGVMNG-RNJXMRFFSA-N 1 2 282.304 -1.473 20 0 CAADLO COC(=O)[C@@H]([NH3+])CC(=O)Nc1cc(=O)n(C)c(=O)[nH]1 ZINC001220424379 780346515 /nfs/dbraw/zinc/34/65/15/780346515.db2.gz DBQXGXXJURKIQO-YFKPBYRVSA-N 1 2 270.245 -1.685 20 0 CAADLO COC(=O)[C@@H]1CC[C@@H](NC(=O)[C@@H]([NH3+])Cc2nn[nH]n2)C1 ZINC001220405927 780346524 /nfs/dbraw/zinc/34/65/24/780346524.db2.gz GRVNETOJXGVMNG-PRJMDXOYSA-N 1 2 282.304 -1.473 20 0 CAADLO COC(=O)[C@@H]([NH3+])CC(=O)N[C@@H](CO)C(F)(F)F ZINC001220447931 780349677 /nfs/dbraw/zinc/34/96/77/780349677.db2.gz RVGUFOXMOXMTQV-WHFBIAKZSA-N 1 2 258.196 -1.084 20 0 CAADLO O=C(Nc1[nH]c(=O)nc2[nH]c(=O)[nH]c21)[C@@H]1COCC[NH2+]1 ZINC001220468534 780351022 /nfs/dbraw/zinc/35/10/22/780351022.db2.gz AWXGEYKIBJLGSA-BYPYZUCNSA-N 1 2 280.244 -1.357 20 0 CAADLO O=C(Nc1[nH]c(=O)nc2nc[nH]c21)[C@@H]1COC[NH2+]1 ZINC001220471553 780351257 /nfs/dbraw/zinc/35/12/57/780351257.db2.gz RUNIJXNVMMKMLI-BYPYZUCNSA-N 1 2 250.218 -1.057 20 0 CAADLO O=C(Nc1[nH]c(=O)nc2[nH]c(=O)[nH]c21)[C@@H]1COC[NH2+]1 ZINC001220469425 780351456 /nfs/dbraw/zinc/35/14/56/780351456.db2.gz XQUPKVNJGMSMCU-VKHMYHEASA-N 1 2 266.217 -1.400 20 0 CAADLO [NH3+][C@@H](Cc1nn[nH]n1)C(=O)N1C[C@H](O)C[C@@H]1CO ZINC001220481799 780353829 /nfs/dbraw/zinc/35/38/29/780353829.db2.gz RTRUKPZPBHLZSY-QYNIQEEDSA-N 1 2 256.266 -2.976 20 0 CAADLO CN(C)C(=O)CC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@@H]1O ZINC001220502485 780354386 /nfs/dbraw/zinc/35/43/86/780354386.db2.gz KLZXCGKYVZRCHM-BBBLOLIVSA-N 1 2 298.343 -2.486 20 0 CAADLO CN(C)C(=O)CC(=O)N[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@@H]1O ZINC001220502485 780354397 /nfs/dbraw/zinc/35/43/97/780354397.db2.gz KLZXCGKYVZRCHM-BBBLOLIVSA-N 1 2 298.343 -2.486 20 0 CAADLO COC(=O)c1ncc(=O)[nH]c1NC(=O)C[C@H]([NH3+])C(=O)OC ZINC001220514994 780358268 /nfs/dbraw/zinc/35/82/68/780358268.db2.gz YXPHWMPERTYXCX-YFKPBYRVSA-N 1 2 298.255 -1.615 20 0 CAADLO CC[N@H+]1C[C@@H](NC(=O)CCCS(C)(=O)=O)[C@@H](O)C1 ZINC001220536967 780361286 /nfs/dbraw/zinc/36/12/86/780361286.db2.gz VYRYOMHCCNSMSC-ZJUUUORDSA-N 1 2 278.374 -1.008 20 0 CAADLO C[C@@H]1COCC[C@H]1NC(=O)[C@@H]([NH3+])Cc1nn[nH]n1 ZINC001220565678 780362377 /nfs/dbraw/zinc/36/23/77/780362377.db2.gz OXPBUXAKNHBOIZ-GJMOJQLCSA-N 1 2 254.294 -1.389 20 0 CAADLO C[C@H]1COCC[C@@H]1NC(=O)[C@@H]([NH3+])Cc1nn[nH]n1 ZINC001220565676 780362479 /nfs/dbraw/zinc/36/24/79/780362479.db2.gz OXPBUXAKNHBOIZ-FXQIFTODSA-N 1 2 254.294 -1.389 20 0 CAADLO C[C@@H](O)CCC[N@H+]1C[C@@H](NC(=O)c2nc[nH]n2)[C@@H](O)C1 ZINC001220573302 780366237 /nfs/dbraw/zinc/36/62/37/780366237.db2.gz TVXYGKQNYLBZTR-BBBLOLIVSA-N 1 2 283.332 -1.259 20 0 CAADLO C[C@@H](O)CCC[N@@H+]1C[C@@H](NC(=O)c2nc[nH]n2)[C@@H](O)C1 ZINC001220573302 780366247 /nfs/dbraw/zinc/36/62/47/780366247.db2.gz TVXYGKQNYLBZTR-BBBLOLIVSA-N 1 2 283.332 -1.259 20 0 CAADLO COC(=O)CNC(=O)CNC(=O)[C@@H]([NH3+])Cc1nn[nH]n1 ZINC001220576346 780368109 /nfs/dbraw/zinc/36/81/09/780368109.db2.gz YFLSRYNTJWIYKX-YFKPBYRVSA-N 1 2 285.264 -3.525 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)CCn2cnnn2)[C@@H](O)C1 ZINC001220603205 780371682 /nfs/dbraw/zinc/37/16/82/780371682.db2.gz CZWDEDIAMALNBE-HLTSFMKQSA-N 1 2 297.319 -2.902 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)CCn2cnnn2)[C@@H](O)C1 ZINC001220603205 780371689 /nfs/dbraw/zinc/37/16/89/780371689.db2.gz CZWDEDIAMALNBE-HLTSFMKQSA-N 1 2 297.319 -2.902 20 0 CAADLO [NH3+][C@@H](Cc1nn[nH]n1)C(=O)N[C@@H]1NC(=O)c2ccccc21 ZINC001220620228 780371727 /nfs/dbraw/zinc/37/17/27/780371727.db2.gz QMTGLMICZCITGC-WPRPVWTQSA-N 1 2 287.283 -1.372 20 0 CAADLO COC(=O)[C@@H](N)CC(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC001220723537 780375434 /nfs/dbraw/zinc/37/54/34/780375434.db2.gz AWEAEHBPQQSACH-UWVGGRQHSA-N 1 2 273.333 -1.286 20 0 CAADLO COC(=O)[C@@H](N)CC(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC001220723537 780375448 /nfs/dbraw/zinc/37/54/48/780375448.db2.gz AWEAEHBPQQSACH-UWVGGRQHSA-N 1 2 273.333 -1.286 20 0 CAADLO CC(C)OCC[N@H+]1C[C@@H](NC(=O)Cc2nnc[nH]2)[C@@H](O)C1 ZINC001220726245 780376186 /nfs/dbraw/zinc/37/61/86/780376186.db2.gz PCLWOHVVFQPOCM-MNOVXSKESA-N 1 2 297.359 -1.067 20 0 CAADLO CC(C)OCC[N@@H+]1C[C@@H](NC(=O)Cc2nnc[nH]2)[C@@H](O)C1 ZINC001220726245 780376194 /nfs/dbraw/zinc/37/61/94/780376194.db2.gz PCLWOHVVFQPOCM-MNOVXSKESA-N 1 2 297.359 -1.067 20 0 CAADLO O=C(Cc1nnc[nH]1)N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O ZINC001220726404 780379230 /nfs/dbraw/zinc/37/92/30/780379230.db2.gz WEKSFLAWISAXGF-ZJUUUORDSA-N 1 2 299.331 -2.483 20 0 CAADLO O=C(Cc1nnc[nH]1)N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O ZINC001220726404 780379240 /nfs/dbraw/zinc/37/92/40/780379240.db2.gz WEKSFLAWISAXGF-ZJUUUORDSA-N 1 2 299.331 -2.483 20 0 CAADLO CC(=O)NC[C@@H](C)CNC(=O)[C@@H]([NH3+])Cc1nn[nH]n1 ZINC001220756344 780379292 /nfs/dbraw/zinc/37/92/92/780379292.db2.gz BNIOMUMBGIFNIN-SVRRBLITSA-N 1 2 269.309 -2.042 20 0 CAADLO CC(=O)NCCCCCNC(=O)[C@@H]([NH3+])Cc1nn[nH]n1 ZINC001220758734 780380592 /nfs/dbraw/zinc/38/05/92/780380592.db2.gz KGWSAYBEYLGBIW-VIFPVBQESA-N 1 2 283.336 -1.508 20 0 CAADLO O=C([O-])CCC(=O)CNC(=O)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220848943 780384157 /nfs/dbraw/zinc/38/41/57/780384157.db2.gz NMVFDKXKZFDLJL-QPUJVOFHSA-N 1 2 269.301 -1.512 20 0 CAADLO CCOC(=O)[C@@H](C)CNC(=O)[C@@H]([NH3+])Cc1nn[nH]n1 ZINC001220848857 780385730 /nfs/dbraw/zinc/38/57/30/780385730.db2.gz KSHPEERZCPWXRO-BQBZGAKWSA-N 1 2 270.293 -1.615 20 0 CAADLO O=C([O-])CCC(=O)CNC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001220849038 780387054 /nfs/dbraw/zinc/38/70/54/780387054.db2.gz QTZIHWJSBJQIFA-UJNFCWOMSA-N 1 2 269.301 -1.514 20 0 CAADLO CCOC(=O)C1(NC(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3[NH2+]2)C[NH2+]C1 ZINC001220851484 780388265 /nfs/dbraw/zinc/38/82/65/780388265.db2.gz XQZQAEQHSDXVPJ-LPEHRKFASA-N 1 2 282.344 -2.042 20 0 CAADLO CCOC(=O)C1(NC(=O)C2([NH3+])CC[NH2+]CC2)C[NH2+]C1 ZINC001220851430 780388833 /nfs/dbraw/zinc/38/88/33/780388833.db2.gz VWQOBVGKSCWDCA-UHFFFAOYSA-N 1 2 270.333 -1.911 20 0 CAADLO COC(=O)[C@H]1C[C@@H]1CNC(=O)[C@@H]([NH3+])Cc1nn[nH]n1 ZINC001220882028 780393088 /nfs/dbraw/zinc/39/30/88/780393088.db2.gz RDJGJZQBYHGVSB-VQVTYTSYSA-N 1 2 268.277 -2.005 20 0 CAADLO Cn1c[nH+]cc1CCC(=O)N[C@@H]1CN(CC(N)=O)C[C@@H]1O ZINC001220881836 780393368 /nfs/dbraw/zinc/39/33/68/780393368.db2.gz IHPOJANKINFARK-MNOVXSKESA-N 1 2 295.343 -2.001 20 0 CAADLO COC(=O)[C@@H]([NH3+])CC(=O)NC[C@H]1C[C@H]1C(=O)OC ZINC001220881062 780393394 /nfs/dbraw/zinc/39/33/94/780393394.db2.gz BOVFIDIVIAYIKO-PRJMDXOYSA-N 1 2 258.274 -1.198 20 0 CAADLO CCC(=O)N1CC[C@H](NC(=O)[C@@H]([NH3+])Cc2nn[nH]n2)C1 ZINC001220907135 780394732 /nfs/dbraw/zinc/39/47/32/780394732.db2.gz ITUDMVMZDJGMNS-YUMQZZPRSA-N 1 2 281.320 -1.803 20 0 CAADLO Cc1noc(C2(NC(=O)[C@@H]([NH3+])Cc3nn[nH]n3)CC2)n1 ZINC001220932101 780396715 /nfs/dbraw/zinc/39/67/15/780396715.db2.gz GZOAVEWNTBMWEA-LURJTMIESA-N 1 2 278.276 -1.434 20 0 CAADLO C[C@H]1C[C@@H](NC(=O)[C@@H]([NH3+])Cc2nn[nH]n2)CCO1 ZINC001221008279 780401877 /nfs/dbraw/zinc/40/18/77/780401877.db2.gz PXIVWNNRCVVUAG-FXQIFTODSA-N 1 2 254.294 -1.247 20 0 CAADLO COC[C@H](NC(=O)[C@@H]([NH3+])Cc1nn[nH]n1)C1CC1 ZINC001221013169 780402064 /nfs/dbraw/zinc/40/20/64/780402064.db2.gz MLPUSAOENJLVKX-YUMQZZPRSA-N 1 2 254.294 -1.389 20 0 CAADLO CCNC(=O)C[N@H+]1C[C@@H](NC(=O)Cc2ccc[nH]2)[C@@H](O)C1 ZINC001221022567 780403409 /nfs/dbraw/zinc/40/34/09/780403409.db2.gz DHOZAXSFVGVQNY-NEPJUHHUSA-N 1 2 294.355 -1.145 20 0 CAADLO CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)Cc2ccc[nH]2)[C@@H](O)C1 ZINC001221022567 780403411 /nfs/dbraw/zinc/40/34/11/780403411.db2.gz DHOZAXSFVGVQNY-NEPJUHHUSA-N 1 2 294.355 -1.145 20 0 CAADLO CC[N@H+]1C[C@@H](NC(=O)[C@H](C)CS(C)(=O)=O)[C@@H](O)C1 ZINC001221101993 780404178 /nfs/dbraw/zinc/40/41/78/780404178.db2.gz DVEMXFDAFVDPBM-BBBLOLIVSA-N 1 2 278.374 -1.152 20 0 CAADLO CC[N@@H+]1C[C@@H](NC(=O)[C@H](C)CS(C)(=O)=O)[C@@H](O)C1 ZINC001221101993 780404184 /nfs/dbraw/zinc/40/41/84/780404184.db2.gz DVEMXFDAFVDPBM-BBBLOLIVSA-N 1 2 278.374 -1.152 20 0 CAADLO CNC(=O)NC(=O)C[N@@H+]1CC[C@@H]2CN(C(C)=O)[C@@H]2C1 ZINC001221208886 780406938 /nfs/dbraw/zinc/40/69/38/780406938.db2.gz GNXLCYARSHXQEL-NXEZZACHSA-N 1 2 268.317 -1.005 20 0 CAADLO CNC(=O)NC(=O)C[N@H+]1CC[C@@H]2CN(C(C)=O)[C@@H]2C1 ZINC001221208886 780406942 /nfs/dbraw/zinc/40/69/42/780406942.db2.gz GNXLCYARSHXQEL-NXEZZACHSA-N 1 2 268.317 -1.005 20 0 CAADLO CC(=O)NCC(=O)N1C[C@H]2CC[N@H+](CC(N)=O)C[C@H]21 ZINC001221233128 780407036 /nfs/dbraw/zinc/40/70/36/780407036.db2.gz XXUYRBDNOWKAMB-NXEZZACHSA-N 1 2 268.317 -1.860 20 0 CAADLO CC(=O)NCC(=O)N1C[C@H]2CC[N@@H+](CC(N)=O)C[C@H]21 ZINC001221233128 780407041 /nfs/dbraw/zinc/40/70/41/780407041.db2.gz XXUYRBDNOWKAMB-NXEZZACHSA-N 1 2 268.317 -1.860 20 0 CAADLO CCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)CNC(C)=O)[C@@H]2C1 ZINC001221232695 780407512 /nfs/dbraw/zinc/40/75/12/780407512.db2.gz OKODIJLMFDGSCH-VXGBXAGGSA-N 1 2 296.371 -1.209 20 0 CAADLO CCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)CNC(C)=O)[C@@H]2C1 ZINC001221232695 780407516 /nfs/dbraw/zinc/40/75/16/780407516.db2.gz OKODIJLMFDGSCH-VXGBXAGGSA-N 1 2 296.371 -1.209 20 0 CAADLO CC(=O)N[C@H](C)C(=O)N1C[C@H]2CC[N@H+](CC(N)=O)C[C@H]21 ZINC001221243880 780408205 /nfs/dbraw/zinc/40/82/05/780408205.db2.gz ULAOYNMWOPMCQO-FBIMIBRVSA-N 1 2 282.344 -1.471 20 0 CAADLO CC(=O)N[C@H](C)C(=O)N1C[C@H]2CC[N@@H+](CC(N)=O)C[C@H]21 ZINC001221243880 780408207 /nfs/dbraw/zinc/40/82/07/780408207.db2.gz ULAOYNMWOPMCQO-FBIMIBRVSA-N 1 2 282.344 -1.471 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C)NC(C)=O)[C@@H]2C1 ZINC001221243669 780408594 /nfs/dbraw/zinc/40/85/94/780408594.db2.gz PMLYWMKNKPAHCY-MVWJERBFSA-N 1 2 296.371 -1.210 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C)NC(C)=O)[C@@H]2C1 ZINC001221243669 780408596 /nfs/dbraw/zinc/40/85/96/780408596.db2.gz PMLYWMKNKPAHCY-MVWJERBFSA-N 1 2 296.371 -1.210 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)CNC(=O)C3CC3)[C@@H]2C1 ZINC001221316185 780414577 /nfs/dbraw/zinc/41/45/77/780414577.db2.gz APXDQQRKSQGPKD-GHMZBOCLSA-N 1 2 294.355 -1.469 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)CNC(=O)C3CC3)[C@@H]2C1 ZINC001221316185 780414580 /nfs/dbraw/zinc/41/45/80/780414580.db2.gz APXDQQRKSQGPKD-GHMZBOCLSA-N 1 2 294.355 -1.469 20 0 CAADLO CO[C@H](C)C(=O)N1C[C@H]2CC[N@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001221334735 780415960 /nfs/dbraw/zinc/41/59/60/780415960.db2.gz QAJKIADITFJNDY-OPRDCNLKSA-N 1 2 298.343 -1.251 20 0 CAADLO CO[C@H](C)C(=O)N1C[C@H]2CC[N@@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001221334735 780415963 /nfs/dbraw/zinc/41/59/63/780415963.db2.gz QAJKIADITFJNDY-OPRDCNLKSA-N 1 2 298.343 -1.251 20 0 CAADLO COC1CC(CNC(=O)[C@@H]([NH3+])Cc2nn[nH]n2)C1 ZINC001221365570 780417291 /nfs/dbraw/zinc/41/72/91/780417291.db2.gz ABDODVKQQRHKKA-RRQHEKLDSA-N 1 2 254.294 -1.389 20 0 CAADLO C[C@@]1(NC(=O)[C@@H]([NH3+])Cc2nn[nH]n2)CCCOC1 ZINC001221402351 780420050 /nfs/dbraw/zinc/42/00/50/780420050.db2.gz DWJOEXLFLYDKHN-OIBJUYFYSA-N 1 2 254.294 -1.245 20 0 CAADLO C[C@@H](NC(=O)[C@@H]([NH3+])Cc1nn[nH]n1)c1ccno1 ZINC001221397832 780420828 /nfs/dbraw/zinc/42/08/28/780420828.db2.gz UVVRGIOZLADOMK-RITPCOANSA-N 1 2 251.250 -1.065 20 0 CAADLO CCNC(=O)CC(=O)N1C[C@H]2CC[N@H+](CC(N)=O)C[C@H]21 ZINC001221496159 780421823 /nfs/dbraw/zinc/42/18/23/780421823.db2.gz LLDBWCWFKUZLKF-NXEZZACHSA-N 1 2 282.344 -1.469 20 0 CAADLO CCNC(=O)CC(=O)N1C[C@H]2CC[N@@H+](CC(N)=O)C[C@H]21 ZINC001221496159 780421825 /nfs/dbraw/zinc/42/18/25/780421825.db2.gz LLDBWCWFKUZLKF-NXEZZACHSA-N 1 2 282.344 -1.469 20 0 CAADLO CNC(=O)CC(=O)N1C[C@H]2CC[N@H+](CC(N)=O)C[C@H]21 ZINC001221506376 780421957 /nfs/dbraw/zinc/42/19/57/780421957.db2.gz ZOOPHWLQSKAVGI-RKDXNWHRSA-N 1 2 268.317 -1.860 20 0 CAADLO CNC(=O)CC(=O)N1C[C@H]2CC[N@@H+](CC(N)=O)C[C@H]21 ZINC001221506376 780421962 /nfs/dbraw/zinc/42/19/62/780421962.db2.gz ZOOPHWLQSKAVGI-RKDXNWHRSA-N 1 2 268.317 -1.860 20 0 CAADLO C[C@H](NC(N)=O)C(=O)N1C[C@H]2CC[N@H+](CC(N)=O)C[C@H]21 ZINC001221508363 780422081 /nfs/dbraw/zinc/42/20/81/780422081.db2.gz RWNYPAQIMDGGMG-DJLDLDEBSA-N 1 2 283.332 -1.939 20 0 CAADLO C[C@H](NC(N)=O)C(=O)N1C[C@H]2CC[N@@H+](CC(N)=O)C[C@H]21 ZINC001221508363 780422083 /nfs/dbraw/zinc/42/20/83/780422083.db2.gz RWNYPAQIMDGGMG-DJLDLDEBSA-N 1 2 283.332 -1.939 20 0 CAADLO CNC(=O)NCCC(=O)N1C[C@H]2CC[N@H+](CC(N)=O)C[C@H]21 ZINC001221524866 780422136 /nfs/dbraw/zinc/42/21/36/780422136.db2.gz GSHHRKHOYAQYFG-NXEZZACHSA-N 1 2 297.359 -1.677 20 0 CAADLO CNC(=O)NCCC(=O)N1C[C@H]2CC[N@@H+](CC(N)=O)C[C@H]21 ZINC001221524866 780422141 /nfs/dbraw/zinc/42/21/41/780422141.db2.gz GSHHRKHOYAQYFG-NXEZZACHSA-N 1 2 297.359 -1.677 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C)NC(N)=O)[C@@H]2C1 ZINC001221501908 780422227 /nfs/dbraw/zinc/42/22/27/780422227.db2.gz QJOGNBVKQCKOMW-IVZWLZJFSA-N 1 2 297.359 -1.678 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C)NC(N)=O)[C@@H]2C1 ZINC001221501908 780422230 /nfs/dbraw/zinc/42/22/30/780422230.db2.gz QJOGNBVKQCKOMW-IVZWLZJFSA-N 1 2 297.359 -1.678 20 0 CAADLO C[C@@H](CC(N)=O)C(=O)N1C[C@H]2CC[N@H+](CC(N)=O)C[C@H]21 ZINC001221736934 780423015 /nfs/dbraw/zinc/42/30/15/780423015.db2.gz IYWWDRFBUTYKIY-IVZWLZJFSA-N 1 2 282.344 -1.484 20 0 CAADLO C[C@@H](CC(N)=O)C(=O)N1C[C@H]2CC[N@@H+](CC(N)=O)C[C@H]21 ZINC001221736934 780423024 /nfs/dbraw/zinc/42/30/24/780423024.db2.gz IYWWDRFBUTYKIY-IVZWLZJFSA-N 1 2 282.344 -1.484 20 0 CAADLO CC[C@H](C)NC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C(N)=O)[C@@H]2C1 ZINC001221786262 780423062 /nfs/dbraw/zinc/42/30/62/780423062.db2.gz MOHBVLDLLZWCJU-HBNTYKKESA-N 1 2 296.371 -1.081 20 0 CAADLO CC[C@H](C)NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C(N)=O)[C@@H]2C1 ZINC001221786262 780423068 /nfs/dbraw/zinc/42/30/68/780423068.db2.gz MOHBVLDLLZWCJU-HBNTYKKESA-N 1 2 296.371 -1.081 20 0 CAADLO CCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C(N)=O)[C@@H]2C1 ZINC001221786332 780423201 /nfs/dbraw/zinc/42/32/01/780423201.db2.gz QNYWILWDVZYBOH-RKDXNWHRSA-N 1 2 268.317 -1.860 20 0 CAADLO CCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C(N)=O)[C@@H]2C1 ZINC001221786332 780423204 /nfs/dbraw/zinc/42/32/04/780423204.db2.gz QNYWILWDVZYBOH-RKDXNWHRSA-N 1 2 268.317 -1.860 20 0 CAADLO COC[C@H](OC)C(=O)N1C[C@H]2CC[N@H+](CC(N)=O)C[C@H]21 ZINC001221805907 780423263 /nfs/dbraw/zinc/42/32/63/780423263.db2.gz NHOHQPUQCTYIIO-MXWKQRLJSA-N 1 2 285.344 -1.334 20 0 CAADLO COC[C@H](OC)C(=O)N1C[C@H]2CC[N@@H+](CC(N)=O)C[C@H]21 ZINC001221805907 780423269 /nfs/dbraw/zinc/42/32/69/780423269.db2.gz NHOHQPUQCTYIIO-MXWKQRLJSA-N 1 2 285.344 -1.334 20 0 CAADLO C[C@@H](C(=O)NC(N)=O)[N@@H+]1CC[C@@H]2CN(C(=O)C(N)=O)[C@@H]2C1 ZINC001221781328 780423338 /nfs/dbraw/zinc/42/33/38/780423338.db2.gz RYIKEZBALFIGJI-XLPZGREQSA-N 1 2 297.315 -2.412 20 0 CAADLO C[C@@H](C(=O)NC(N)=O)[N@H+]1CC[C@@H]2CN(C(=O)C(N)=O)[C@@H]2C1 ZINC001221781328 780423341 /nfs/dbraw/zinc/42/33/41/780423341.db2.gz RYIKEZBALFIGJI-XLPZGREQSA-N 1 2 297.315 -2.412 20 0 CAADLO CS(=O)(=O)CCC(=O)N1C[C@H]2CC[N@H+](CCO)C[C@H]21 ZINC001221650747 780423456 /nfs/dbraw/zinc/42/34/56/780423456.db2.gz CGHBOSZWHWQMKM-GHMZBOCLSA-N 1 2 290.385 -1.054 20 0 CAADLO CS(=O)(=O)CCC(=O)N1C[C@H]2CC[N@@H+](CCO)C[C@H]21 ZINC001221650747 780423460 /nfs/dbraw/zinc/42/34/60/780423460.db2.gz CGHBOSZWHWQMKM-GHMZBOCLSA-N 1 2 290.385 -1.054 20 0 CAADLO CC(C)NC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C(N)=O)[C@@H]2C1 ZINC001221786505 780423469 /nfs/dbraw/zinc/42/34/69/780423469.db2.gz ZZJDZIICJHVKGA-NXEZZACHSA-N 1 2 282.344 -1.471 20 0 CAADLO CC(C)NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C(N)=O)[C@@H]2C1 ZINC001221786505 780423475 /nfs/dbraw/zinc/42/34/75/780423475.db2.gz ZZJDZIICJHVKGA-NXEZZACHSA-N 1 2 282.344 -1.471 20 0 CAADLO CCCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)C(N)=O)[C@@H]2C1 ZINC001221781360 780423660 /nfs/dbraw/zinc/42/36/60/780423660.db2.gz SXOKMQPIDHJWQV-GMTAPVOTSA-N 1 2 296.371 -1.081 20 0 CAADLO CCCNC(=O)[C@@H](C)[N@H+]1CC[C@@H]2CN(C(=O)C(N)=O)[C@@H]2C1 ZINC001221781360 780423661 /nfs/dbraw/zinc/42/36/61/780423661.db2.gz SXOKMQPIDHJWQV-GMTAPVOTSA-N 1 2 296.371 -1.081 20 0 CAADLO CC[C@@H](C)NC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C(N)=O)[C@@H]2C1 ZINC001221786261 780423712 /nfs/dbraw/zinc/42/37/12/780423712.db2.gz MOHBVLDLLZWCJU-GMTAPVOTSA-N 1 2 296.371 -1.081 20 0 CAADLO CC[C@@H](C)NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C(N)=O)[C@@H]2C1 ZINC001221786261 780423714 /nfs/dbraw/zinc/42/37/14/780423714.db2.gz MOHBVLDLLZWCJU-GMTAPVOTSA-N 1 2 296.371 -1.081 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)CCNC(N)=O)[C@@H]2C1 ZINC001222003920 780424433 /nfs/dbraw/zinc/42/44/33/780424433.db2.gz OUHBRCWKCDAGMF-RKDXNWHRSA-N 1 2 283.332 -1.937 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)CCNC(N)=O)[C@@H]2C1 ZINC001222003920 780424437 /nfs/dbraw/zinc/42/44/37/780424437.db2.gz OUHBRCWKCDAGMF-RKDXNWHRSA-N 1 2 283.332 -1.937 20 0 CAADLO Cn1[nH]c(C[NH+]2CCC(CNC(=O)C(N)=O)CC2)nc1=O ZINC001224294665 780431814 /nfs/dbraw/zinc/43/18/14/780431814.db2.gz RGJCRQKZDJZJBX-UHFFFAOYSA-N 1 2 296.331 -2.078 20 0 CAADLO C[C@H](c1nnnn1C)[NH+]1CCC(CNC(=O)C(N)=O)CC1 ZINC001224295398 780434020 /nfs/dbraw/zinc/43/40/20/780434020.db2.gz XXPHVBWJJCUVJN-MRVPVSSYSA-N 1 2 295.347 -1.415 20 0 CAADLO CNC(=O)C[NH+]1CCC(CNC(=O)Cc2nnc[nH]2)CC1 ZINC001225131941 780436429 /nfs/dbraw/zinc/43/64/29/780436429.db2.gz FGWXPDDURWMMPM-UHFFFAOYSA-N 1 2 294.359 -1.079 20 0 CAADLO NC(=O)c1nnc2n1CCN(CC[NH+]1CCOCC1)C2 ZINC001277021749 780438195 /nfs/dbraw/zinc/43/81/95/780438195.db2.gz FVFTXDGWMVDWDC-UHFFFAOYSA-N 1 2 280.332 -1.475 20 0 CAADLO Cn1ncnc1C[NH2+]C1(CNC(=O)[C@@H]2CCNC2=O)CC1 ZINC001277132605 780442526 /nfs/dbraw/zinc/44/25/26/780442526.db2.gz FYVJQHZWAMKFJH-SECBINFHSA-N 1 2 292.343 -1.310 20 0 CAADLO NC(=O)C(=O)NCC1([NH2+]Cc2noc3c2COCC3)CC1 ZINC001277158640 780444320 /nfs/dbraw/zinc/44/43/20/780444320.db2.gz WGSWCXWLFBURET-UHFFFAOYSA-N 1 2 294.311 -1.029 20 0 CAADLO NC(=O)C[NH+]1CCC(NC(=O)CCc2nnc[nH]2)CC1 ZINC001226832879 780445381 /nfs/dbraw/zinc/44/53/81/780445381.db2.gz ZYZGOGAHKIMDHT-UHFFFAOYSA-N 1 2 280.332 -1.197 20 0 CAADLO CCCn1nnnc1C[NH2+]C1(CNC(=O)C(N)=O)CC1 ZINC001277158834 780445387 /nfs/dbraw/zinc/44/53/87/780445387.db2.gz YFCGEEXCSYQNLU-UHFFFAOYSA-N 1 2 281.320 -1.693 20 0 CAADLO NC(=O)C[NH+]1CCC(NC(=O)CCc2cn[nH]n2)CC1 ZINC001229280157 780453180 /nfs/dbraw/zinc/45/31/80/780453180.db2.gz BLLOGRJIFBXTAQ-UHFFFAOYSA-N 1 2 280.332 -1.197 20 0 CAADLO NC(=O)C[NH+]1CCC(NC(=O)CCc2c[nH]nn2)CC1 ZINC001229280157 780453187 /nfs/dbraw/zinc/45/31/87/780453187.db2.gz BLLOGRJIFBXTAQ-UHFFFAOYSA-N 1 2 280.332 -1.197 20 0 CAADLO CC(=O)NCC(=O)N(C)C[C@H]1CC[N@@H+]1CC(=O)N1CCC1 ZINC001230621432 780458036 /nfs/dbraw/zinc/45/80/36/780458036.db2.gz NQEJMSONSMHOAH-GFCCVEGCSA-N 1 2 296.371 -1.113 20 0 CAADLO CC(=O)NCC(=O)N(C)C[C@H]1CC[N@H+]1CC(=O)N1CCC1 ZINC001230621432 780458039 /nfs/dbraw/zinc/45/80/39/780458039.db2.gz NQEJMSONSMHOAH-GFCCVEGCSA-N 1 2 296.371 -1.113 20 0 CAADLO COCC(=O)N(C)C[C@H]1CC[N@@H+]1CCNS(C)(=O)=O ZINC001230544102 780458301 /nfs/dbraw/zinc/45/83/01/780458301.db2.gz JHFBNPBJXXAZQD-SNVBAGLBSA-N 1 2 293.389 -1.285 20 0 CAADLO CC(=O)NCC(=O)N(C)C[C@@H]1CC[N@H+]1CC(=O)N(C)C ZINC001230621795 780458430 /nfs/dbraw/zinc/45/84/30/780458430.db2.gz TUSFNDCLCARDOY-NSHDSACASA-N 1 2 284.360 -1.257 20 0 CAADLO COCC(=O)N(C)C[C@H]1CC[N@H+]1CCNS(C)(=O)=O ZINC001230544102 780458306 /nfs/dbraw/zinc/45/83/06/780458306.db2.gz JHFBNPBJXXAZQD-SNVBAGLBSA-N 1 2 293.389 -1.285 20 0 CAADLO CC(=O)NCC(=O)N(C)C[C@@H]1CC[N@@H+]1CC(=O)N(C)C ZINC001230621795 780458432 /nfs/dbraw/zinc/45/84/32/780458432.db2.gz TUSFNDCLCARDOY-NSHDSACASA-N 1 2 284.360 -1.257 20 0 CAADLO CC[C@@H](C(N)=O)[N@@H+]1CC[C@@H]1CN(C)C(=O)CNC(C)=O ZINC001230640717 780459078 /nfs/dbraw/zinc/45/90/78/780459078.db2.gz AJDKXJZSZRNIGW-MNOVXSKESA-N 1 2 284.360 -1.081 20 0 CAADLO CC[C@@H](C(N)=O)[N@H+]1CC[C@@H]1CN(C)C(=O)CNC(C)=O ZINC001230640717 780459081 /nfs/dbraw/zinc/45/90/81/780459081.db2.gz AJDKXJZSZRNIGW-MNOVXSKESA-N 1 2 284.360 -1.081 20 0 CAADLO CC[C@H](C(N)=O)[N@@H+]1CC[C@H]1CN(C)C(=O)CNC(C)=O ZINC001230640719 780459101 /nfs/dbraw/zinc/45/91/01/780459101.db2.gz AJDKXJZSZRNIGW-WDEREUQCSA-N 1 2 284.360 -1.081 20 0 CAADLO CC[C@H](C(N)=O)[N@H+]1CC[C@H]1CN(C)C(=O)CNC(C)=O ZINC001230640719 780459105 /nfs/dbraw/zinc/45/91/05/780459105.db2.gz AJDKXJZSZRNIGW-WDEREUQCSA-N 1 2 284.360 -1.081 20 0 CAADLO CN(C)C(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)CNC(N)=O ZINC001230730862 780459162 /nfs/dbraw/zinc/45/91/62/780459162.db2.gz MMHHWWKQAMSJBW-SECBINFHSA-N 1 2 285.348 -1.724 20 0 CAADLO CN(C)C(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)CNC(N)=O ZINC001230730862 780459165 /nfs/dbraw/zinc/45/91/65/780459165.db2.gz MMHHWWKQAMSJBW-SECBINFHSA-N 1 2 285.348 -1.724 20 0 CAADLO CC(=O)NCC(=O)N(C)C[C@@H]1CC[N@@H+]1[C@@H]1CCNC1=O ZINC001230629566 780459427 /nfs/dbraw/zinc/45/94/27/780459427.db2.gz OQFNOYZGXMQKNM-WDEREUQCSA-N 1 2 282.344 -1.456 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+]1CC[C@@H]1CN(C)C(=O)CNC(C)=O ZINC001230642562 780459404 /nfs/dbraw/zinc/45/94/04/780459404.db2.gz UTDUBYBKUUIGFF-MWLCHTKSSA-N 1 2 284.360 -1.210 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+]1CC[C@@H]1CN(C)C(=O)CNC(C)=O ZINC001230642562 780459409 /nfs/dbraw/zinc/45/94/09/780459409.db2.gz UTDUBYBKUUIGFF-MWLCHTKSSA-N 1 2 284.360 -1.210 20 0 CAADLO CC(=O)NCC(=O)N(C)C[C@@H]1CC[N@H+]1[C@@H]1CCNC1=O ZINC001230629566 780459433 /nfs/dbraw/zinc/45/94/33/780459433.db2.gz OQFNOYZGXMQKNM-WDEREUQCSA-N 1 2 282.344 -1.456 20 0 CAADLO CC(=O)NCC(=O)N(C)C[C@H]1CC[N@@H+]1[C@H]1CCN(C)C1=O ZINC001230642614 780459579 /nfs/dbraw/zinc/45/95/79/780459579.db2.gz VKJJHVZPEGPXFS-NEPJUHHUSA-N 1 2 296.371 -1.114 20 0 CAADLO CC(=O)NCC(=O)N(C)C[C@H]1CC[N@H+]1[C@H]1CCN(C)C1=O ZINC001230642614 780459584 /nfs/dbraw/zinc/45/95/84/780459584.db2.gz VKJJHVZPEGPXFS-NEPJUHHUSA-N 1 2 296.371 -1.114 20 0 CAADLO CC(=O)NCC(=O)N(C)C[C@H]1CC[N@@H+]1[C@@H]1CCNC1=O ZINC001230629555 780459603 /nfs/dbraw/zinc/45/96/03/780459603.db2.gz OQFNOYZGXMQKNM-GHMZBOCLSA-N 1 2 282.344 -1.456 20 0 CAADLO CC(=O)NCC(=O)N(C)C[C@H]1CC[N@H+]1[C@@H]1CCNC1=O ZINC001230629555 780459613 /nfs/dbraw/zinc/45/96/13/780459613.db2.gz OQFNOYZGXMQKNM-GHMZBOCLSA-N 1 2 282.344 -1.456 20 0 CAADLO CC[C@H](C(N)=O)[N@@H+]1CC[C@@H]1CN(C)C(=O)CNC(C)=O ZINC001230640716 780459807 /nfs/dbraw/zinc/45/98/07/780459807.db2.gz AJDKXJZSZRNIGW-GHMZBOCLSA-N 1 2 284.360 -1.081 20 0 CAADLO CC[C@H](C(N)=O)[N@H+]1CC[C@@H]1CN(C)C(=O)CNC(C)=O ZINC001230640716 780459810 /nfs/dbraw/zinc/45/98/10/780459810.db2.gz AJDKXJZSZRNIGW-GHMZBOCLSA-N 1 2 284.360 -1.081 20 0 CAADLO CC(=O)NCC(=O)N(C)C[C@@H]1CC[N@H+]1[C@H](C)C(N)=O ZINC001230627637 780460176 /nfs/dbraw/zinc/46/01/76/780460176.db2.gz FGZMEXNZPQASTO-SCZZXKLOSA-N 1 2 270.333 -1.471 20 0 CAADLO CC(=O)NCC(=O)N(C)C[C@@H]1CC[N@@H+]1[C@H](C)C(N)=O ZINC001230627637 780460179 /nfs/dbraw/zinc/46/01/79/780460179.db2.gz FGZMEXNZPQASTO-SCZZXKLOSA-N 1 2 270.333 -1.471 20 0 CAADLO CC(=O)NCC(=O)N(C)C[C@H]1CC[N@H+]1[C@@H](C)C(N)=O ZINC001230627638 780460222 /nfs/dbraw/zinc/46/02/22/780460222.db2.gz FGZMEXNZPQASTO-WCBMZHEXSA-N 1 2 270.333 -1.471 20 0 CAADLO CC(=O)NCC(=O)N(C)C[C@H]1CC[N@@H+]1[C@@H](C)C(N)=O ZINC001230627638 780460226 /nfs/dbraw/zinc/46/02/26/780460226.db2.gz FGZMEXNZPQASTO-WCBMZHEXSA-N 1 2 270.333 -1.471 20 0 CAADLO CC[C@@H](C(N)=O)[N@@H+]1CC[C@H]1CN(C)C(=O)Cn1cnnn1 ZINC001230753638 780460822 /nfs/dbraw/zinc/46/08/22/780460822.db2.gz YJAJADSKZNUTFF-UWVGGRQHSA-N 1 2 295.347 -1.530 20 0 CAADLO CC[C@@H](C(N)=O)[N@H+]1CC[C@H]1CN(C)C(=O)Cn1cnnn1 ZINC001230753638 780460829 /nfs/dbraw/zinc/46/08/29/780460829.db2.gz YJAJADSKZNUTFF-UWVGGRQHSA-N 1 2 295.347 -1.530 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CC[C@H]1CN(C)C(=O)Cn1cnnn1 ZINC001230750492 780461179 /nfs/dbraw/zinc/46/11/79/780461179.db2.gz YGHYVHNMEZQATA-BDAKNGLRSA-N 1 2 281.320 -1.920 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CC[C@H]1CN(C)C(=O)Cn1cnnn1 ZINC001230750492 780461185 /nfs/dbraw/zinc/46/11/85/780461185.db2.gz YGHYVHNMEZQATA-BDAKNGLRSA-N 1 2 281.320 -1.920 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CC[C@@H]1CN(C)C(=O)CNC(N)=O ZINC001230735557 780461343 /nfs/dbraw/zinc/46/13/43/780461343.db2.gz VHPVFYZFZUUYRT-HTQZYQBOSA-N 1 2 271.321 -1.939 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CC[C@@H]1CN(C)C(=O)CNC(N)=O ZINC001230735557 780461345 /nfs/dbraw/zinc/46/13/45/780461345.db2.gz VHPVFYZFZUUYRT-HTQZYQBOSA-N 1 2 271.321 -1.939 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)CCn1cncn1 ZINC001230777252 780461435 /nfs/dbraw/zinc/46/14/35/780461435.db2.gz YZTDHESOTKPNCV-LLVKDONJSA-N 1 2 294.359 -1.053 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)CCn1cncn1 ZINC001230777252 780461439 /nfs/dbraw/zinc/46/14/39/780461439.db2.gz YZTDHESOTKPNCV-LLVKDONJSA-N 1 2 294.359 -1.053 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CC[C@H]1CN(C)C(=O)CNC(N)=O ZINC001230735560 780461508 /nfs/dbraw/zinc/46/15/08/780461508.db2.gz VHPVFYZFZUUYRT-YUMQZZPRSA-N 1 2 271.321 -1.939 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CC[C@H]1CN(C)C(=O)CNC(N)=O ZINC001230735560 780461513 /nfs/dbraw/zinc/46/15/13/780461513.db2.gz VHPVFYZFZUUYRT-YUMQZZPRSA-N 1 2 271.321 -1.939 20 0 CAADLO CC[C@H](C(N)=O)[N@@H+]1CC[C@@H]1CN(C)C(=O)Cn1cnnn1 ZINC001230753636 780461611 /nfs/dbraw/zinc/46/16/11/780461611.db2.gz YJAJADSKZNUTFF-NXEZZACHSA-N 1 2 295.347 -1.530 20 0 CAADLO CC[C@H](C(N)=O)[N@H+]1CC[C@@H]1CN(C)C(=O)Cn1cnnn1 ZINC001230753636 780461615 /nfs/dbraw/zinc/46/16/15/780461615.db2.gz YJAJADSKZNUTFF-NXEZZACHSA-N 1 2 295.347 -1.530 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)CN(C)C(C)=O ZINC001230819216 780461686 /nfs/dbraw/zinc/46/16/86/780461686.db2.gz OWYVVGBMAGFPDD-NSHDSACASA-N 1 2 284.360 -1.257 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)CN(C)C(C)=O ZINC001230819216 780461690 /nfs/dbraw/zinc/46/16/90/780461690.db2.gz OWYVVGBMAGFPDD-NSHDSACASA-N 1 2 284.360 -1.257 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+]1CC[C@@H]1CN(C)C(=O)Cn1cnnn1 ZINC001230748702 780461783 /nfs/dbraw/zinc/46/17/83/780461783.db2.gz IMGHQOCHQVQJRZ-NXEZZACHSA-N 1 2 295.347 -1.660 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+]1CC[C@@H]1CN(C)C(=O)Cn1cnnn1 ZINC001230748702 780461786 /nfs/dbraw/zinc/46/17/86/780461786.db2.gz IMGHQOCHQVQJRZ-NXEZZACHSA-N 1 2 295.347 -1.660 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CC[C@@H]1CN(C)C(=O)CNC(=O)C1CC1 ZINC001230877283 780462682 /nfs/dbraw/zinc/46/26/82/780462682.db2.gz YIAFPIOREIPETE-GXSJLCMTSA-N 1 2 296.371 -1.081 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CC[C@@H]1CN(C)C(=O)CNC(=O)C1CC1 ZINC001230877283 780462686 /nfs/dbraw/zinc/46/26/86/780462686.db2.gz YIAFPIOREIPETE-GXSJLCMTSA-N 1 2 296.371 -1.081 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CC[C@H]1CN(C)C(=O)CNC(=O)C1CC1 ZINC001230877286 780462841 /nfs/dbraw/zinc/46/28/41/780462841.db2.gz YIAFPIOREIPETE-ONGXEEELSA-N 1 2 296.371 -1.081 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CC[C@H]1CN(C)C(=O)CNC(=O)C1CC1 ZINC001230877286 780462846 /nfs/dbraw/zinc/46/28/46/780462846.db2.gz YIAFPIOREIPETE-ONGXEEELSA-N 1 2 296.371 -1.081 20 0 CAADLO NC(=O)C[N@H+](CCCNC(=O)C(N)=O)Cc1cccnc1 ZINC001230835328 780463423 /nfs/dbraw/zinc/46/34/23/780463423.db2.gz ARTAFOZBNWTMRG-UHFFFAOYSA-N 1 2 293.327 -1.640 20 0 CAADLO NC(=O)C[N@@H+](CCCNC(=O)C(N)=O)Cc1cccnc1 ZINC001230835328 780463426 /nfs/dbraw/zinc/46/34/26/780463426.db2.gz ARTAFOZBNWTMRG-UHFFFAOYSA-N 1 2 293.327 -1.640 20 0 CAADLO CCC(=O)NCC(=O)N(C)C[C@H]1CC[N@@H+]1[C@@H](C)C(N)=O ZINC001231271457 780464044 /nfs/dbraw/zinc/46/40/44/780464044.db2.gz JNYWKHJJVVRICG-VHSXEESVSA-N 1 2 284.360 -1.081 20 0 CAADLO CCC(=O)NCC(=O)N(C)C[C@H]1CC[N@H+]1[C@@H](C)C(N)=O ZINC001231271457 780464053 /nfs/dbraw/zinc/46/40/53/780464053.db2.gz JNYWKHJJVVRICG-VHSXEESVSA-N 1 2 284.360 -1.081 20 0 CAADLO CCC(=O)NCC(=O)N(C)C[C@H]1CC[N@@H+]1[C@H]1CCNC1=O ZINC001231226012 780464266 /nfs/dbraw/zinc/46/42/66/780464266.db2.gz LTOPXYMBFJNSTQ-MNOVXSKESA-N 1 2 296.371 -1.066 20 0 CAADLO CCC(=O)NCC(=O)N(C)C[C@H]1CC[N@H+]1[C@H]1CCNC1=O ZINC001231226012 780464278 /nfs/dbraw/zinc/46/42/78/780464278.db2.gz LTOPXYMBFJNSTQ-MNOVXSKESA-N 1 2 296.371 -1.066 20 0 CAADLO CCC(=O)NCC(=O)N(C)C[C@@H]1CC[N@H+]1CC(=O)NC ZINC001231225886 780464523 /nfs/dbraw/zinc/46/45/23/780464523.db2.gz JREYEWSTNLOPHM-JTQLQIEISA-N 1 2 284.360 -1.209 20 0 CAADLO CCC(=O)NCC(=O)N(C)C[C@@H]1CC[N@@H+]1CC(=O)NC ZINC001231225886 780464516 /nfs/dbraw/zinc/46/45/16/780464516.db2.gz JREYEWSTNLOPHM-JTQLQIEISA-N 1 2 284.360 -1.209 20 0 CAADLO CC(=O)NCC(=O)NCCC[N@@H+](C)Cc1cnn(C)n1 ZINC001231258460 780464536 /nfs/dbraw/zinc/46/45/36/780464536.db2.gz HSSSMLPYWXWKKX-UHFFFAOYSA-N 1 2 282.348 -1.111 20 0 CAADLO CC(=O)NCC(=O)NCCC[N@H+](C)Cc1cnn(C)n1 ZINC001231258460 780464543 /nfs/dbraw/zinc/46/45/43/780464543.db2.gz HSSSMLPYWXWKKX-UHFFFAOYSA-N 1 2 282.348 -1.111 20 0 CAADLO CCNC(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCC(=O)N1 ZINC001231198364 780464740 /nfs/dbraw/zinc/46/47/40/780464740.db2.gz PGZQGNQIYCSNII-GHMZBOCLSA-N 1 2 296.371 -1.066 20 0 CAADLO CCNC(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCC(=O)N1 ZINC001231198364 780464747 /nfs/dbraw/zinc/46/47/47/780464747.db2.gz PGZQGNQIYCSNII-GHMZBOCLSA-N 1 2 296.371 -1.066 20 0 CAADLO CCC(=O)NCC(=O)N(C)C[C@@H]1CC[N@@H+]1[C@H]1CCNC1=O ZINC001231226013 780465034 /nfs/dbraw/zinc/46/50/34/780465034.db2.gz LTOPXYMBFJNSTQ-QWRGUYRKSA-N 1 2 296.371 -1.066 20 0 CAADLO CCC(=O)NCC(=O)N(C)C[C@@H]1CC[N@H+]1[C@H]1CCNC1=O ZINC001231226013 780465038 /nfs/dbraw/zinc/46/50/38/780465038.db2.gz LTOPXYMBFJNSTQ-QWRGUYRKSA-N 1 2 296.371 -1.066 20 0 CAADLO CCN(C)C(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)CC(N)=O ZINC001231398698 780465635 /nfs/dbraw/zinc/46/56/35/780465635.db2.gz OBHQCAMDVKEOHV-JTQLQIEISA-N 1 2 284.360 -1.127 20 0 CAADLO CCN(C)C(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)CC(N)=O ZINC001231398698 780465640 /nfs/dbraw/zinc/46/56/40/780465640.db2.gz OBHQCAMDVKEOHV-JTQLQIEISA-N 1 2 284.360 -1.127 20 0 CAADLO CCN(C)C(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)CC(N)=O ZINC001231398699 780465750 /nfs/dbraw/zinc/46/57/50/780465750.db2.gz OBHQCAMDVKEOHV-SNVBAGLBSA-N 1 2 284.360 -1.127 20 0 CAADLO CCN(C)C(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)CC(N)=O ZINC001231398699 780465752 /nfs/dbraw/zinc/46/57/52/780465752.db2.gz OBHQCAMDVKEOHV-SNVBAGLBSA-N 1 2 284.360 -1.127 20 0 CAADLO CCCNC(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)CC(N)=O ZINC001231398634 780465847 /nfs/dbraw/zinc/46/58/47/780465847.db2.gz LWGGRZHSZPFZPR-JTQLQIEISA-N 1 2 284.360 -1.079 20 0 CAADLO CCCNC(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)CC(N)=O ZINC001231398634 780465853 /nfs/dbraw/zinc/46/58/53/780465853.db2.gz LWGGRZHSZPFZPR-JTQLQIEISA-N 1 2 284.360 -1.079 20 0 CAADLO CCCNC(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)CC(N)=O ZINC001231398635 780466233 /nfs/dbraw/zinc/46/62/33/780466233.db2.gz LWGGRZHSZPFZPR-SNVBAGLBSA-N 1 2 284.360 -1.079 20 0 CAADLO CCCNC(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)CC(N)=O ZINC001231398635 780466236 /nfs/dbraw/zinc/46/62/36/780466236.db2.gz LWGGRZHSZPFZPR-SNVBAGLBSA-N 1 2 284.360 -1.079 20 0 CAADLO CC(=O)NCC(=O)NCCC[N@@H+](C)Cc1cn(C)nn1 ZINC001231278245 780466270 /nfs/dbraw/zinc/46/62/70/780466270.db2.gz GVKPZWGFZBVALT-UHFFFAOYSA-N 1 2 282.348 -1.111 20 0 CAADLO CC(=O)NCC(=O)NCCC[N@H+](C)Cc1cn(C)nn1 ZINC001231278245 780466276 /nfs/dbraw/zinc/46/62/76/780466276.db2.gz GVKPZWGFZBVALT-UHFFFAOYSA-N 1 2 282.348 -1.111 20 0 CAADLO CN(C)C(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)CC(N)=O ZINC001231398240 780466389 /nfs/dbraw/zinc/46/63/89/780466389.db2.gz AZMFGYZIVAZRMD-SECBINFHSA-N 1 2 270.333 -1.517 20 0 CAADLO CN(C)C(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)CC(N)=O ZINC001231398240 780466392 /nfs/dbraw/zinc/46/63/92/780466392.db2.gz AZMFGYZIVAZRMD-SECBINFHSA-N 1 2 270.333 -1.517 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CC[C@@H]1CN(C)C(=O)CC(N)=O ZINC001231358368 780466500 /nfs/dbraw/zinc/46/65/00/780466500.db2.gz GBYPEZXMLVFEOW-JGVFFNPUSA-N 1 2 256.306 -1.732 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CC[C@@H]1CN(C)C(=O)CC(N)=O ZINC001231358368 780466502 /nfs/dbraw/zinc/46/65/02/780466502.db2.gz GBYPEZXMLVFEOW-JGVFFNPUSA-N 1 2 256.306 -1.732 20 0 CAADLO O=C1CN(C2C[NH+](Cc3c[nH]c(=O)[nH]c3=O)C2)CCN1 ZINC001231703082 780467133 /nfs/dbraw/zinc/46/71/33/780467133.db2.gz NUQOHXDWLQHRTM-UHFFFAOYSA-N 1 2 279.300 -1.496 20 0 CAADLO Cn1cc(C[N@@H+]2CCO[C@H](CO)C2)c(=O)n(C)c1=O ZINC001231766594 780467612 /nfs/dbraw/zinc/46/76/12/780467612.db2.gz BQUMHMPBALATFU-JTQLQIEISA-N 1 2 269.301 -1.723 20 0 CAADLO Cn1cc(C[N@H+]2CCO[C@H](CO)C2)c(=O)n(C)c1=O ZINC001231766594 780467615 /nfs/dbraw/zinc/46/76/15/780467615.db2.gz BQUMHMPBALATFU-JTQLQIEISA-N 1 2 269.301 -1.723 20 0 CAADLO CN(C[C@H]1CC[N@@H+]1CC(=O)NCC1CC1)C(=O)CC(N)=O ZINC001231398972 780467816 /nfs/dbraw/zinc/46/78/16/780467816.db2.gz USJRQTQREQDFTN-LLVKDONJSA-N 1 2 296.371 -1.079 20 0 CAADLO CN(C[C@H]1CC[N@H+]1CC(=O)NCC1CC1)C(=O)CC(N)=O ZINC001231398972 780467818 /nfs/dbraw/zinc/46/78/18/780467818.db2.gz USJRQTQREQDFTN-LLVKDONJSA-N 1 2 296.371 -1.079 20 0 CAADLO CN(C[C@@H]1CC[N@@H+]1[C@H]1CCC(=O)NC1=O)C(=O)CC(N)=O ZINC001231399451 780467825 /nfs/dbraw/zinc/46/78/25/780467825.db2.gz ZSDIVNMYDKSEOQ-IUCAKERBSA-N 1 2 296.327 -1.800 20 0 CAADLO CN(C[C@@H]1CC[N@H+]1[C@H]1CCC(=O)NC1=O)C(=O)CC(N)=O ZINC001231399451 780467827 /nfs/dbraw/zinc/46/78/27/780467827.db2.gz ZSDIVNMYDKSEOQ-IUCAKERBSA-N 1 2 296.327 -1.800 20 0 CAADLO CC(=O)N(C)C1C[NH+](Cc2cn(C)c(=O)n(C)c2=O)C1 ZINC001231771950 780468557 /nfs/dbraw/zinc/46/85/57/780468557.db2.gz HMIDCZKAFAYRJF-UHFFFAOYSA-N 1 2 280.328 -1.254 20 0 CAADLO COC[C@H]1COCC[N@@H+]1Cc1cn(C)c(=O)n(C)c1=O ZINC001231771752 780469320 /nfs/dbraw/zinc/46/93/20/780469320.db2.gz DEGXPZPNMRYJLD-NSHDSACASA-N 1 2 283.328 -1.069 20 0 CAADLO COC[C@H]1COCC[N@H+]1Cc1cn(C)c(=O)n(C)c1=O ZINC001231771752 780469324 /nfs/dbraw/zinc/46/93/24/780469324.db2.gz DEGXPZPNMRYJLD-NSHDSACASA-N 1 2 283.328 -1.069 20 0 CAADLO Cn1cc(C[N@H+]2CC(=O)N3CCC[C@@H]3C2)c(=O)n(C)c1=O ZINC001231770621 780469356 /nfs/dbraw/zinc/46/93/56/780469356.db2.gz PGZYWRMBCBWQJB-LLVKDONJSA-N 1 2 292.339 -1.109 20 0 CAADLO Cn1cc(C[N@@H+]2CC(=O)N3CCC[C@@H]3C2)c(=O)n(C)c1=O ZINC001231770621 780469360 /nfs/dbraw/zinc/46/93/60/780469360.db2.gz PGZYWRMBCBWQJB-LLVKDONJSA-N 1 2 292.339 -1.109 20 0 CAADLO COC[C@@H](C(=O)OC)N1CC2(C1)C[NH+](CC(=O)N(C)C)C2 ZINC001277571018 780470190 /nfs/dbraw/zinc/47/01/90/780470190.db2.gz GXKUNQXZKCBRJV-NSHDSACASA-N 1 2 299.371 -1.120 20 0 CAADLO CN(C(=O)c1cnn(C)c1N)C1C[NH+](CCOCCO)C1 ZINC001277580822 780470454 /nfs/dbraw/zinc/47/04/54/780470454.db2.gz QESCWZSOTSXXRL-UHFFFAOYSA-N 1 2 297.359 -1.233 20 0 CAADLO CN(C(=O)CCc1cnn(C)n1)C1C[NH+](CCO)C1 ZINC001277659501 780471287 /nfs/dbraw/zinc/47/12/87/780471287.db2.gz HQVGGKJIUWTMRT-UHFFFAOYSA-N 1 2 267.333 -1.117 20 0 CAADLO C[C@@H](CN(C)C(=O)CC(N)=O)[NH2+]Cc1nc(N(C)C)no1 ZINC001277782662 780471434 /nfs/dbraw/zinc/47/14/34/780471434.db2.gz QREJDLOMDUFTSO-QMMMGPOBSA-N 1 2 298.347 -1.053 20 0 CAADLO CN(C(=O)[C@]1(C)CCNC1=O)C1C[NH+](CCOCCO)C1 ZINC001277660607 780472028 /nfs/dbraw/zinc/47/20/28/780472028.db2.gz VXCQPHHJXDCQKW-CQSZACIVSA-N 1 2 299.371 -1.336 20 0 CAADLO COC(=O)CCCS(=O)(=O)N[C@@H]1C[NH2+]CCC1=O ZINC001238624080 780520063 /nfs/dbraw/zinc/52/00/63/780520063.db2.gz CMFIMQQKIDRVPO-MRVPVSSYSA-N 1 2 278.330 -1.210 20 0 CAADLO C[C@H](c1nnnn1C)[N@H+](C)CCCNC(=O)CNC(N)=O ZINC001233713568 780473239 /nfs/dbraw/zinc/47/32/39/780473239.db2.gz QQQZDNHZGLMYSM-MRVPVSSYSA-N 1 2 298.351 -1.623 20 0 CAADLO C[C@H](c1nnnn1C)[N@@H+](C)CCCNC(=O)CNC(N)=O ZINC001233713568 780473242 /nfs/dbraw/zinc/47/32/42/780473242.db2.gz QQQZDNHZGLMYSM-MRVPVSSYSA-N 1 2 298.351 -1.623 20 0 CAADLO Cn1ncc(C[N@H+](C)CCCNC(=O)CNC(N)=O)n1 ZINC001233706551 780473416 /nfs/dbraw/zinc/47/34/16/780473416.db2.gz ZYFLQLMZEKGMDS-UHFFFAOYSA-N 1 2 283.336 -1.579 20 0 CAADLO Cn1ncc(C[N@@H+](C)CCCNC(=O)CNC(N)=O)n1 ZINC001233706551 780473420 /nfs/dbraw/zinc/47/34/20/780473420.db2.gz ZYFLQLMZEKGMDS-UHFFFAOYSA-N 1 2 283.336 -1.579 20 0 CAADLO CCn1ncc(C[N@H+](C)CCCNC(=O)CNC(N)=O)n1 ZINC001233706480 780473641 /nfs/dbraw/zinc/47/36/41/780473641.db2.gz YBXGMVFEBPARBD-UHFFFAOYSA-N 1 2 297.363 -1.096 20 0 CAADLO CCn1ncc(C[N@@H+](C)CCCNC(=O)CNC(N)=O)n1 ZINC001233706480 780473646 /nfs/dbraw/zinc/47/36/46/780473646.db2.gz YBXGMVFEBPARBD-UHFFFAOYSA-N 1 2 297.363 -1.096 20 0 CAADLO Cc1noc(C[N@H+](C)CCCNC(=O)CNC(N)=O)n1 ZINC001233706132 780473939 /nfs/dbraw/zinc/47/39/39/780473939.db2.gz SEXUWCUAKNLHSE-UHFFFAOYSA-N 1 2 284.320 -1.016 20 0 CAADLO Cc1noc(C[N@@H+](C)CCCNC(=O)CNC(N)=O)n1 ZINC001233706132 780473941 /nfs/dbraw/zinc/47/39/41/780473941.db2.gz SEXUWCUAKNLHSE-UHFFFAOYSA-N 1 2 284.320 -1.016 20 0 CAADLO Cc1nonc1C[N@H+](C)CCCNC(=O)CNC(N)=O ZINC001233705850 780473975 /nfs/dbraw/zinc/47/39/75/780473975.db2.gz NYLQLIPHOXCKIA-UHFFFAOYSA-N 1 2 284.320 -1.016 20 0 CAADLO Cc1nonc1C[N@@H+](C)CCCNC(=O)CNC(N)=O ZINC001233705850 780473978 /nfs/dbraw/zinc/47/39/78/780473978.db2.gz NYLQLIPHOXCKIA-UHFFFAOYSA-N 1 2 284.320 -1.016 20 0 CAADLO CCn1cc(C[N@H+](C)CCCNC(=O)CNC(N)=O)nn1 ZINC001233713564 780473998 /nfs/dbraw/zinc/47/39/98/780473998.db2.gz QKRSMXBYKAITKE-UHFFFAOYSA-N 1 2 297.363 -1.096 20 0 CAADLO CCn1cc(C[N@@H+](C)CCCNC(=O)CNC(N)=O)nn1 ZINC001233713564 780474002 /nfs/dbraw/zinc/47/40/02/780474002.db2.gz QKRSMXBYKAITKE-UHFFFAOYSA-N 1 2 297.363 -1.096 20 0 CAADLO C[C@H](c1nncn1C)[N@H+](C)CCCNC(=O)CNC(N)=O ZINC001233713231 780474063 /nfs/dbraw/zinc/47/40/63/780474063.db2.gz MIIZUCCWVKLSHV-SECBINFHSA-N 1 2 297.363 -1.018 20 0 CAADLO C[C@H](c1nncn1C)[N@@H+](C)CCCNC(=O)CNC(N)=O ZINC001233713231 780474067 /nfs/dbraw/zinc/47/40/67/780474067.db2.gz MIIZUCCWVKLSHV-SECBINFHSA-N 1 2 297.363 -1.018 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CC[C@@H]1CN(C)C(=O)CN1CCOCC1 ZINC001233751638 780474683 /nfs/dbraw/zinc/47/46/83/780474683.db2.gz ODULSGGOFNKKGT-NWDGAFQWSA-N 1 2 298.387 -1.275 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CC[C@@H]1CN(C)C(=O)CN1CCOCC1 ZINC001233751638 780474689 /nfs/dbraw/zinc/47/46/89/780474689.db2.gz ODULSGGOFNKKGT-NWDGAFQWSA-N 1 2 298.387 -1.275 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CC[C@H]1CN(C)C(=O)CN1CCOCC1 ZINC001233751637 780475373 /nfs/dbraw/zinc/47/53/73/780475373.db2.gz ODULSGGOFNKKGT-NEPJUHHUSA-N 1 2 298.387 -1.275 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CC[C@H]1CN(C)C(=O)CN1CCOCC1 ZINC001233751637 780475376 /nfs/dbraw/zinc/47/53/76/780475376.db2.gz ODULSGGOFNKKGT-NEPJUHHUSA-N 1 2 298.387 -1.275 20 0 CAADLO CCNC(=O)CC(=O)N(C)C[C@H]1CC[N@@H+]1[C@H]1CCNC1=O ZINC001233818933 780475398 /nfs/dbraw/zinc/47/53/98/780475398.db2.gz IIEPKZADEMIYQC-MNOVXSKESA-N 1 2 296.371 -1.066 20 0 CAADLO CCNC(=O)CC(=O)N(C)C[C@H]1CC[N@H+]1[C@H]1CCNC1=O ZINC001233818933 780475402 /nfs/dbraw/zinc/47/54/02/780475402.db2.gz IIEPKZADEMIYQC-MNOVXSKESA-N 1 2 296.371 -1.066 20 0 CAADLO Cn1cc(C[N@H+](C)CCCNC(=O)Cn2cnnn2)nn1 ZINC001233751480 780475433 /nfs/dbraw/zinc/47/54/33/780475433.db2.gz TZIWJPCEMGIIMK-UHFFFAOYSA-N 1 2 293.335 -1.560 20 0 CAADLO Cn1cc(C[N@@H+](C)CCCNC(=O)Cn2cnnn2)nn1 ZINC001233751480 780475438 /nfs/dbraw/zinc/47/54/38/780475438.db2.gz TZIWJPCEMGIIMK-UHFFFAOYSA-N 1 2 293.335 -1.560 20 0 CAADLO Cn1ncc(C[N@H+](C)CCCNC(=O)Cn2cnnn2)n1 ZINC001233751539 780475620 /nfs/dbraw/zinc/47/56/20/780475620.db2.gz VFFQRMISVGTIAK-UHFFFAOYSA-N 1 2 293.335 -1.560 20 0 CAADLO Cn1ncc(C[N@@H+](C)CCCNC(=O)Cn2cnnn2)n1 ZINC001233751539 780475624 /nfs/dbraw/zinc/47/56/24/780475624.db2.gz VFFQRMISVGTIAK-UHFFFAOYSA-N 1 2 293.335 -1.560 20 0 CAADLO C[C@H](NC(N)=O)C(=O)N(C)C[C@H]1CC[N@@H+]1CC(=O)N(C)C ZINC001233891996 780476529 /nfs/dbraw/zinc/47/65/29/780476529.db2.gz ZGHPTDPSQOGGRV-VHSXEESVSA-N 1 2 299.375 -1.336 20 0 CAADLO C[C@H](NC(N)=O)C(=O)N(C)C[C@H]1CC[N@H+]1CC(=O)N(C)C ZINC001233891996 780476533 /nfs/dbraw/zinc/47/65/33/780476533.db2.gz ZGHPTDPSQOGGRV-VHSXEESVSA-N 1 2 299.375 -1.336 20 0 CAADLO CCNC(=O)CC(=O)N(C)C[C@@H]1CC[N@@H+]1[C@H](C)C(N)=O ZINC001233830051 780476576 /nfs/dbraw/zinc/47/65/76/780476576.db2.gz VPYZKVXUYOSKNG-ZJUUUORDSA-N 1 2 284.360 -1.081 20 0 CAADLO CCNC(=O)CC(=O)N(C)C[C@@H]1CC[N@H+]1[C@H](C)C(N)=O ZINC001233830051 780476584 /nfs/dbraw/zinc/47/65/84/780476584.db2.gz VPYZKVXUYOSKNG-ZJUUUORDSA-N 1 2 284.360 -1.081 20 0 CAADLO CCNC(=O)CC(=O)N(C)C[C@@H]1CC[N@@H+]1[C@@H](C)C(N)=O ZINC001233830048 780476808 /nfs/dbraw/zinc/47/68/08/780476808.db2.gz VPYZKVXUYOSKNG-UWVGGRQHSA-N 1 2 284.360 -1.081 20 0 CAADLO CCNC(=O)CC(=O)N(C)C[C@@H]1CC[N@H+]1[C@@H](C)C(N)=O ZINC001233830048 780476815 /nfs/dbraw/zinc/47/68/15/780476815.db2.gz VPYZKVXUYOSKNG-UWVGGRQHSA-N 1 2 284.360 -1.081 20 0 CAADLO CNC(=O)CC(=O)N(C)C[C@@H]1CC[N@@H+]1CC(=O)N1CCC1 ZINC001233897127 780476888 /nfs/dbraw/zinc/47/68/88/780476888.db2.gz CCEOZPLDGZFPRO-NSHDSACASA-N 1 2 296.371 -1.113 20 0 CAADLO CNC(=O)CC(=O)N(C)C[C@@H]1CC[N@H+]1CC(=O)N1CCC1 ZINC001233897127 780476892 /nfs/dbraw/zinc/47/68/92/780476892.db2.gz CCEOZPLDGZFPRO-NSHDSACASA-N 1 2 296.371 -1.113 20 0 CAADLO CNC(=O)CC(=O)N(C)C[C@H]1CC[N@@H+]1[C@H](C)C(N)=O ZINC001233881878 780477112 /nfs/dbraw/zinc/47/71/12/780477112.db2.gz VGADARWNFIKRNZ-RKDXNWHRSA-N 1 2 270.333 -1.471 20 0 CAADLO CNC(=O)CC(=O)N(C)C[C@H]1CC[N@H+]1[C@H](C)C(N)=O ZINC001233881878 780477115 /nfs/dbraw/zinc/47/71/15/780477115.db2.gz VGADARWNFIKRNZ-RKDXNWHRSA-N 1 2 270.333 -1.471 20 0 CAADLO CNC(=O)CC(=O)N(C)C[C@H]1CC[N@@H+]1CC(=O)N1CCC1 ZINC001233897123 780477168 /nfs/dbraw/zinc/47/71/68/780477168.db2.gz CCEOZPLDGZFPRO-LLVKDONJSA-N 1 2 296.371 -1.113 20 0 CAADLO CNC(=O)CC(=O)N(C)C[C@H]1CC[N@H+]1CC(=O)N1CCC1 ZINC001233897123 780477171 /nfs/dbraw/zinc/47/71/71/780477171.db2.gz CCEOZPLDGZFPRO-LLVKDONJSA-N 1 2 296.371 -1.113 20 0 CAADLO CCNC(=O)CC(=O)N(C)C[C@@H]1CC[N@@H+]1CC(=O)NC ZINC001233819676 780477179 /nfs/dbraw/zinc/47/71/79/780477179.db2.gz OJBBVBPRHQAESK-JTQLQIEISA-N 1 2 284.360 -1.209 20 0 CAADLO CCNC(=O)CC(=O)N(C)C[C@@H]1CC[N@H+]1CC(=O)NC ZINC001233819676 780477183 /nfs/dbraw/zinc/47/71/83/780477183.db2.gz OJBBVBPRHQAESK-JTQLQIEISA-N 1 2 284.360 -1.209 20 0 CAADLO CCNC(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1COC(=O)N1 ZINC001233989352 780478322 /nfs/dbraw/zinc/47/83/22/780478322.db2.gz BJLDJDOJTUWZCW-ZJUUUORDSA-N 1 2 298.343 -1.236 20 0 CAADLO CCNC(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1COC(=O)N1 ZINC001233989352 780478330 /nfs/dbraw/zinc/47/83/30/780478330.db2.gz BJLDJDOJTUWZCW-ZJUUUORDSA-N 1 2 298.343 -1.236 20 0 CAADLO CCNC(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1COC(=O)N1 ZINC001233989350 780478597 /nfs/dbraw/zinc/47/85/97/780478597.db2.gz BJLDJDOJTUWZCW-VHSXEESVSA-N 1 2 298.343 -1.236 20 0 CAADLO CCNC(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1COC(=O)N1 ZINC001233989350 780478601 /nfs/dbraw/zinc/47/86/01/780478601.db2.gz BJLDJDOJTUWZCW-VHSXEESVSA-N 1 2 298.343 -1.236 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)Cc1nnc(C)[nH]1 ZINC001234205246 780480057 /nfs/dbraw/zinc/48/00/57/780480057.db2.gz HVURNPOGDXBALQ-JTQLQIEISA-N 1 2 294.359 -1.066 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)Cc1nnc(C)[nH]1 ZINC001234205246 780480059 /nfs/dbraw/zinc/48/00/59/780480059.db2.gz HVURNPOGDXBALQ-JTQLQIEISA-N 1 2 294.359 -1.066 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)C[C@H](C)NC(N)=O ZINC001234275074 780481441 /nfs/dbraw/zinc/48/14/41/780481441.db2.gz BCFINHBPZZCNRO-UWVGGRQHSA-N 1 2 299.375 -1.288 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)C[C@H](C)NC(N)=O ZINC001234275074 780481446 /nfs/dbraw/zinc/48/14/46/780481446.db2.gz BCFINHBPZZCNRO-UWVGGRQHSA-N 1 2 299.375 -1.288 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)C[C@H](C)NC(N)=O ZINC001234275075 780481754 /nfs/dbraw/zinc/48/17/54/780481754.db2.gz BCFINHBPZZCNRO-VHSXEESVSA-N 1 2 299.375 -1.288 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)C[C@H](C)NC(N)=O ZINC001234275075 780481756 /nfs/dbraw/zinc/48/17/56/780481756.db2.gz BCFINHBPZZCNRO-VHSXEESVSA-N 1 2 299.375 -1.288 20 0 CAADLO CC[C@@H](C(N)=O)[N@@H+]1CC[C@H]1CN(C)C(=O)Cn1ncnn1 ZINC001234366227 780481959 /nfs/dbraw/zinc/48/19/59/780481959.db2.gz KECYANKPIXLVBL-UWVGGRQHSA-N 1 2 295.347 -1.530 20 0 CAADLO CC[C@@H](C(N)=O)[N@H+]1CC[C@H]1CN(C)C(=O)Cn1ncnn1 ZINC001234366227 780481964 /nfs/dbraw/zinc/48/19/64/780481964.db2.gz KECYANKPIXLVBL-UWVGGRQHSA-N 1 2 295.347 -1.530 20 0 CAADLO CN(C[C@@H]1CC[N@@H+]1CCF)C(=O)Cn1cnc(C(N)=O)n1 ZINC001234414518 780485273 /nfs/dbraw/zinc/48/52/73/780485273.db2.gz PAACMMWMZLUGPO-VIFPVBQESA-N 1 2 298.322 -1.121 20 0 CAADLO CN(C[C@@H]1CC[N@H+]1CCF)C(=O)Cn1cnc(C(N)=O)n1 ZINC001234414518 780485276 /nfs/dbraw/zinc/48/52/76/780485276.db2.gz PAACMMWMZLUGPO-VIFPVBQESA-N 1 2 298.322 -1.121 20 0 CAADLO CN(C[C@H]1CC[N@@H+]1[C@@H]1CCNC1=O)C(=O)Cn1nccn1 ZINC001234573944 780486968 /nfs/dbraw/zinc/48/69/68/780486968.db2.gz NCXJLGLLEAQYFQ-GHMZBOCLSA-N 1 2 292.343 -1.301 20 0 CAADLO CN(C[C@H]1CC[N@H+]1[C@@H]1CCNC1=O)C(=O)Cn1nccn1 ZINC001234573944 780486972 /nfs/dbraw/zinc/48/69/72/780486972.db2.gz NCXJLGLLEAQYFQ-GHMZBOCLSA-N 1 2 292.343 -1.301 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CC[C@H]1CN(C)C(=O)Cn1nccn1 ZINC001234573754 780487005 /nfs/dbraw/zinc/48/70/05/780487005.db2.gz LXVFZECPVDHNMT-UWVGGRQHSA-N 1 2 280.332 -1.315 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CC[C@H]1CN(C)C(=O)Cn1nccn1 ZINC001234573754 780487009 /nfs/dbraw/zinc/48/70/09/780487009.db2.gz LXVFZECPVDHNMT-UWVGGRQHSA-N 1 2 280.332 -1.315 20 0 CAADLO CN(C[C@@H]1CC[N@@H+]1[C@@H]1CCNC1=O)C(=O)Cn1nccn1 ZINC001234573948 780487143 /nfs/dbraw/zinc/48/71/43/780487143.db2.gz NCXJLGLLEAQYFQ-WDEREUQCSA-N 1 2 292.343 -1.301 20 0 CAADLO CN(C[C@@H]1CC[N@H+]1[C@@H]1CCNC1=O)C(=O)Cn1nccn1 ZINC001234573948 780487147 /nfs/dbraw/zinc/48/71/47/780487147.db2.gz NCXJLGLLEAQYFQ-WDEREUQCSA-N 1 2 292.343 -1.301 20 0 CAADLO CN(C[C@H]1CC[N@@H+]1[C@H]1CCNC1=O)C(=O)Cn1nccn1 ZINC001234573946 780487247 /nfs/dbraw/zinc/48/72/47/780487247.db2.gz NCXJLGLLEAQYFQ-MNOVXSKESA-N 1 2 292.343 -1.301 20 0 CAADLO CN(C[C@H]1CC[N@H+]1[C@H]1CCNC1=O)C(=O)Cn1nccn1 ZINC001234573946 780487250 /nfs/dbraw/zinc/48/72/50/780487250.db2.gz NCXJLGLLEAQYFQ-MNOVXSKESA-N 1 2 292.343 -1.301 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)Cn1nccn1 ZINC001234573373 780487608 /nfs/dbraw/zinc/48/76/08/780487608.db2.gz IPJSBVHPUAVAOT-JTQLQIEISA-N 1 2 280.332 -1.443 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)Cn1nccn1 ZINC001234573373 780487612 /nfs/dbraw/zinc/48/76/12/780487612.db2.gz IPJSBVHPUAVAOT-JTQLQIEISA-N 1 2 280.332 -1.443 20 0 CAADLO CN(C[C@@H]1CC[N@@H+]1[C@H]1CCNC1=O)C(=O)Cn1nccn1 ZINC001234573947 780487845 /nfs/dbraw/zinc/48/78/45/780487845.db2.gz NCXJLGLLEAQYFQ-QWRGUYRKSA-N 1 2 292.343 -1.301 20 0 CAADLO CN(C[C@@H]1CC[N@H+]1[C@H]1CCNC1=O)C(=O)Cn1nccn1 ZINC001234573947 780487851 /nfs/dbraw/zinc/48/78/51/780487851.db2.gz NCXJLGLLEAQYFQ-QWRGUYRKSA-N 1 2 292.343 -1.301 20 0 CAADLO CCNC(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)CNC(=O)NC ZINC001235022773 780488421 /nfs/dbraw/zinc/48/84/21/780488421.db2.gz DCNKMWLLRSMQLD-SNVBAGLBSA-N 1 2 299.375 -1.416 20 0 CAADLO CCNC(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)CNC(=O)NC ZINC001235022773 780488422 /nfs/dbraw/zinc/48/84/22/780488422.db2.gz DCNKMWLLRSMQLD-SNVBAGLBSA-N 1 2 299.375 -1.416 20 0 CAADLO CC[C@@H](C(N)=O)[N@@H+]1CC[C@@H]1CN(C)C(=O)CNC(=O)NC ZINC001235054935 780488472 /nfs/dbraw/zinc/48/84/72/780488472.db2.gz WUNQTZBIKHLMIG-ZJUUUORDSA-N 1 2 299.375 -1.288 20 0 CAADLO CC[C@@H](C(N)=O)[N@H+]1CC[C@@H]1CN(C)C(=O)CNC(=O)NC ZINC001235054935 780488477 /nfs/dbraw/zinc/48/84/77/780488477.db2.gz WUNQTZBIKHLMIG-ZJUUUORDSA-N 1 2 299.375 -1.288 20 0 CAADLO CC[C@H](C(N)=O)[N@@H+]1CC[C@@H]1CN(C)C(=O)CNC(=O)NC ZINC001235054925 780488515 /nfs/dbraw/zinc/48/85/15/780488515.db2.gz WUNQTZBIKHLMIG-NXEZZACHSA-N 1 2 299.375 -1.288 20 0 CAADLO CC[C@H](C(N)=O)[N@H+]1CC[C@@H]1CN(C)C(=O)CNC(=O)NC ZINC001235054925 780488520 /nfs/dbraw/zinc/48/85/20/780488520.db2.gz WUNQTZBIKHLMIG-NXEZZACHSA-N 1 2 299.375 -1.288 20 0 CAADLO CNC(=O)NCC(=O)N(C)C[C@@H]1CC[N@@H+]1[C@H]1CCNC1=O ZINC001235051121 780488550 /nfs/dbraw/zinc/48/85/50/780488550.db2.gz KGXJQKKZYKFMLK-UWVGGRQHSA-N 1 2 297.359 -1.663 20 0 CAADLO CNC(=O)NCC(=O)N(C)C[C@@H]1CC[N@H+]1[C@H]1CCNC1=O ZINC001235051121 780488554 /nfs/dbraw/zinc/48/85/54/780488554.db2.gz KGXJQKKZYKFMLK-UWVGGRQHSA-N 1 2 297.359 -1.663 20 0 CAADLO CNC(=O)NCC(=O)N(C)C[C@@H]1CC[N@@H+]1[C@@H]1CCNC1=O ZINC001235051122 780488628 /nfs/dbraw/zinc/48/86/28/780488628.db2.gz KGXJQKKZYKFMLK-VHSXEESVSA-N 1 2 297.359 -1.663 20 0 CAADLO CNC(=O)NCC(=O)N(C)C[C@@H]1CC[N@H+]1[C@@H]1CCNC1=O ZINC001235051122 780488631 /nfs/dbraw/zinc/48/86/31/780488631.db2.gz KGXJQKKZYKFMLK-VHSXEESVSA-N 1 2 297.359 -1.663 20 0 CAADLO CNC(=O)NCC(=O)N(C)C[C@H]1CC[N@@H+]1[C@H](C)C(=O)NC ZINC001235050978 780488789 /nfs/dbraw/zinc/48/87/89/780488789.db2.gz IUJLKQGPLRHHOB-NXEZZACHSA-N 1 2 299.375 -1.417 20 0 CAADLO CNC(=O)NCC(=O)N(C)C[C@H]1CC[N@H+]1[C@H](C)C(=O)NC ZINC001235050978 780488794 /nfs/dbraw/zinc/48/87/94/780488794.db2.gz IUJLKQGPLRHHOB-NXEZZACHSA-N 1 2 299.375 -1.417 20 0 CAADLO CNC(=O)NCC(=O)N(C)C[C@@H]1CC[N@@H+]1[C@H](C)C(=O)NC ZINC001235050984 780488813 /nfs/dbraw/zinc/48/88/13/780488813.db2.gz IUJLKQGPLRHHOB-ZJUUUORDSA-N 1 2 299.375 -1.417 20 0 CAADLO CNC(=O)NCC(=O)N(C)C[C@@H]1CC[N@H+]1[C@H](C)C(=O)NC ZINC001235050984 780488818 /nfs/dbraw/zinc/48/88/18/780488818.db2.gz IUJLKQGPLRHHOB-ZJUUUORDSA-N 1 2 299.375 -1.417 20 0 CAADLO CNC(=O)NCC(=O)N(C)C[C@H]1CC[N@@H+]1[C@@H](C)C(N)=O ZINC001235051039 780489461 /nfs/dbraw/zinc/48/94/61/780489461.db2.gz JKBSKWNYQPQOOG-DTWKUNHWSA-N 1 2 285.348 -1.678 20 0 CAADLO CNC(=O)NCC(=O)N(C)C[C@H]1CC[N@H+]1[C@@H](C)C(N)=O ZINC001235051039 780489467 /nfs/dbraw/zinc/48/94/67/780489467.db2.gz JKBSKWNYQPQOOG-DTWKUNHWSA-N 1 2 285.348 -1.678 20 0 CAADLO CNC(=O)NCC(=O)N(C)C[C@@H]1CC[N@@H+]1[C@@H](C)C(N)=O ZINC001235051041 780489530 /nfs/dbraw/zinc/48/95/30/780489530.db2.gz JKBSKWNYQPQOOG-IUCAKERBSA-N 1 2 285.348 -1.678 20 0 CAADLO CNC(=O)NCC(=O)N(C)C[C@@H]1CC[N@H+]1[C@@H](C)C(N)=O ZINC001235051041 780489536 /nfs/dbraw/zinc/48/95/36/780489536.db2.gz JKBSKWNYQPQOOG-IUCAKERBSA-N 1 2 285.348 -1.678 20 0 CAADLO CNC(=O)NCC(=O)N(C)C[C@H]1CC[N@@H+]1[C@@H](C)C(=O)NC ZINC001235050983 780489586 /nfs/dbraw/zinc/48/95/86/780489586.db2.gz IUJLKQGPLRHHOB-VHSXEESVSA-N 1 2 299.375 -1.417 20 0 CAADLO CNC(=O)NCC(=O)N(C)C[C@H]1CC[N@H+]1[C@@H](C)C(=O)NC ZINC001235050983 780489593 /nfs/dbraw/zinc/48/95/93/780489593.db2.gz IUJLKQGPLRHHOB-VHSXEESVSA-N 1 2 299.375 -1.417 20 0 CAADLO C[C@@H](CN(C)C(=O)C(N)=O)[NH2+]Cc1csnn1 ZINC001277923208 780490909 /nfs/dbraw/zinc/49/09/09/780490909.db2.gz XKMSIQFQLKRBMP-LURJTMIESA-N 1 2 257.319 -1.040 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)C[C@@H]1CCNC1=O ZINC001235280234 780491056 /nfs/dbraw/zinc/49/10/56/780491056.db2.gz IFRKZBYZWMPARJ-QWRGUYRKSA-N 1 2 296.371 -1.209 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)C[C@@H]1CCNC1=O ZINC001235280234 780491060 /nfs/dbraw/zinc/49/10/60/780491060.db2.gz IFRKZBYZWMPARJ-QWRGUYRKSA-N 1 2 296.371 -1.209 20 0 CAADLO CN(C[C@H]1CC[N@@H+]1[C@@H]1CCNC1=O)C(=O)C(C)(C)C(N)=O ZINC001235615807 780491576 /nfs/dbraw/zinc/49/15/76/780491576.db2.gz HPVKWRGFHSPYGI-NXEZZACHSA-N 1 2 296.371 -1.081 20 0 CAADLO CN(C[C@H]1CC[N@H+]1[C@@H]1CCNC1=O)C(=O)C(C)(C)C(N)=O ZINC001235615807 780491582 /nfs/dbraw/zinc/49/15/82/780491582.db2.gz HPVKWRGFHSPYGI-NXEZZACHSA-N 1 2 296.371 -1.081 20 0 CAADLO CN(C[C@H]1CC[N@@H+]1[C@H]1CCNC1=O)C(=O)C(C)(C)C(N)=O ZINC001235615819 780491878 /nfs/dbraw/zinc/49/18/78/780491878.db2.gz HPVKWRGFHSPYGI-ZJUUUORDSA-N 1 2 296.371 -1.081 20 0 CAADLO CN(C[C@H]1CC[N@H+]1[C@H]1CCNC1=O)C(=O)C(C)(C)C(N)=O ZINC001235615819 780491882 /nfs/dbraw/zinc/49/18/82/780491882.db2.gz HPVKWRGFHSPYGI-ZJUUUORDSA-N 1 2 296.371 -1.081 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CC[C@H]1CN(C)C(=O)C(C)(C)C(N)=O ZINC001235590100 780492268 /nfs/dbraw/zinc/49/22/68/780492268.db2.gz XBYXOJVWWSHRLP-IUCAKERBSA-N 1 2 284.360 -1.096 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CC[C@H]1CN(C)C(=O)C(C)(C)C(N)=O ZINC001235590100 780492272 /nfs/dbraw/zinc/49/22/72/780492272.db2.gz XBYXOJVWWSHRLP-IUCAKERBSA-N 1 2 284.360 -1.096 20 0 CAADLO CN(C[C@@H]1CC[N@@H+]1[C@@H]1CCNC1=O)C(=O)C(C)(C)C(N)=O ZINC001235615818 780492717 /nfs/dbraw/zinc/49/27/17/780492717.db2.gz HPVKWRGFHSPYGI-VHSXEESVSA-N 1 2 296.371 -1.081 20 0 CAADLO CN(C[C@@H]1CC[N@H+]1[C@@H]1CCNC1=O)C(=O)C(C)(C)C(N)=O ZINC001235615818 780492723 /nfs/dbraw/zinc/49/27/23/780492723.db2.gz HPVKWRGFHSPYGI-VHSXEESVSA-N 1 2 296.371 -1.081 20 0 CAADLO Cn1ncnc1C(=O)N1C[C@H]2C[C@@H](C1)[N@H+](CC(N)=O)C2 ZINC001277978267 780494969 /nfs/dbraw/zinc/49/49/69/780494969.db2.gz MGTUNEJGAIIIBK-IUCAKERBSA-N 1 2 278.316 -1.553 20 0 CAADLO Cn1ncnc1C(=O)N1C[C@H]2C[C@@H](C1)[N@@H+](CC(N)=O)C2 ZINC001277978267 780494977 /nfs/dbraw/zinc/49/49/77/780494977.db2.gz MGTUNEJGAIIIBK-IUCAKERBSA-N 1 2 278.316 -1.553 20 0 CAADLO COCCOCN1CCO[C@H]2C[N@H+](CC(N)=O)C[C@H]21 ZINC001277982540 780497529 /nfs/dbraw/zinc/49/75/29/780497529.db2.gz YCNBEFXTXGEUJH-MNOVXSKESA-N 1 2 273.333 -1.523 20 0 CAADLO COCCOCN1CCO[C@H]2C[N@@H+](CC(N)=O)C[C@H]21 ZINC001277982540 780497534 /nfs/dbraw/zinc/49/75/34/780497534.db2.gz YCNBEFXTXGEUJH-MNOVXSKESA-N 1 2 273.333 -1.523 20 0 CAADLO CN(C)C(=O)CN1CC[C@H]2[C@@H]1CC[N@@H+]2CC(N)=O ZINC001277981904 780498025 /nfs/dbraw/zinc/49/80/25/780498025.db2.gz PWFTXGFVYYLOMX-UWVGGRQHSA-N 1 2 254.334 -1.292 20 0 CAADLO CN(C)C(=O)CN1CC[C@H]2[C@@H]1CC[N@H+]2CC(N)=O ZINC001277981904 780498029 /nfs/dbraw/zinc/49/80/29/780498029.db2.gz PWFTXGFVYYLOMX-UWVGGRQHSA-N 1 2 254.334 -1.292 20 0 CAADLO COCCOCN1CCO[C@H]2C[N@H+](CC(N)=O)C[C@@H]21 ZINC001277982542 780498179 /nfs/dbraw/zinc/49/81/79/780498179.db2.gz YCNBEFXTXGEUJH-QWRGUYRKSA-N 1 2 273.333 -1.523 20 0 CAADLO COCCOCN1CCO[C@H]2C[N@@H+](CC(N)=O)C[C@@H]21 ZINC001277982542 780498182 /nfs/dbraw/zinc/49/81/82/780498182.db2.gz YCNBEFXTXGEUJH-QWRGUYRKSA-N 1 2 273.333 -1.523 20 0 CAADLO CC[C@H](C(N)=O)[N@H+]1C[C@@H]2[C@H](C1)OCCN2CC(=O)N(C)C ZINC001278029397 780498558 /nfs/dbraw/zinc/49/85/58/780498558.db2.gz RSQYSFPVRIZOOD-UTUOFQBUSA-N 1 2 298.387 -1.277 20 0 CAADLO CC[C@H](C(N)=O)[N@@H+]1C[C@@H]2[C@H](C1)OCCN2CC(=O)N(C)C ZINC001278029397 780498560 /nfs/dbraw/zinc/49/85/60/780498560.db2.gz RSQYSFPVRIZOOD-UTUOFQBUSA-N 1 2 298.387 -1.277 20 0 CAADLO CC[C@@H](C(N)=O)[N@H+]1C[C@@H]2[C@H](C1)OCCN2CC(=O)N(C)C ZINC001278029395 780498663 /nfs/dbraw/zinc/49/86/63/780498663.db2.gz RSQYSFPVRIZOOD-TUAOUCFPSA-N 1 2 298.387 -1.277 20 0 CAADLO CC[C@@H](C(N)=O)[N@@H+]1C[C@@H]2[C@H](C1)OCCN2CC(=O)N(C)C ZINC001278029395 780498666 /nfs/dbraw/zinc/49/86/66/780498666.db2.gz RSQYSFPVRIZOOD-TUAOUCFPSA-N 1 2 298.387 -1.277 20 0 CAADLO CNC(=O)C[N@@H+]1C[C@@H]2OCCN(COCCOC)[C@H]2C1 ZINC001278011493 780498841 /nfs/dbraw/zinc/49/88/41/780498841.db2.gz TUFPBLPNLQUNLG-RYUDHWBXSA-N 1 2 287.360 -1.262 20 0 CAADLO CNC(=O)C[N@H+]1C[C@@H]2OCCN(COCCOC)[C@H]2C1 ZINC001278011493 780498843 /nfs/dbraw/zinc/49/88/43/780498843.db2.gz TUFPBLPNLQUNLG-RYUDHWBXSA-N 1 2 287.360 -1.262 20 0 CAADLO CNC(=O)CN1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC001278011653 780499105 /nfs/dbraw/zinc/49/91/05/780499105.db2.gz XNHSWSRETFEIJH-PHIMTYICSA-N 1 2 268.361 -1.031 20 0 CAADLO CNC(=O)CN1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC001278011653 780499107 /nfs/dbraw/zinc/49/91/07/780499107.db2.gz XNHSWSRETFEIJH-PHIMTYICSA-N 1 2 268.361 -1.031 20 0 CAADLO CC(C)n1cc(C[NH2+][C@H](CO)CNC(=O)CC(N)=O)nn1 ZINC001278061045 780503798 /nfs/dbraw/zinc/50/37/98/780503798.db2.gz IDZRBPRVHCSZSO-JTQLQIEISA-N 1 2 298.347 -1.699 20 0 CAADLO CC(=O)N1CC(=O)NC[C@]12CC[N@@H+](Cc1cnnn1C)C2 ZINC001238160705 780514376 /nfs/dbraw/zinc/51/43/76/780514376.db2.gz RWRJJAKCZDJZEG-ZDUSSCGKSA-N 1 2 292.343 -1.262 20 0 CAADLO CC(=O)N1CC(=O)NC[C@]12CC[N@H+](Cc1cnnn1C)C2 ZINC001238160705 780514383 /nfs/dbraw/zinc/51/43/83/780514383.db2.gz RWRJJAKCZDJZEG-ZDUSSCGKSA-N 1 2 292.343 -1.262 20 0 CAADLO Cn1ccc(S(=O)(=O)N[C@@H]2C[NH2+]CCC2=O)n1 ZINC001238627024 780519999 /nfs/dbraw/zinc/51/99/99/780519999.db2.gz JOLXZGKQAYRIAL-SSDOTTSWSA-N 1 2 258.303 -1.371 20 0 CAADLO Cn1ccc(S(=O)(=O)N[C@H]2C[NH2+]CCC2=O)n1 ZINC001238627026 780520045 /nfs/dbraw/zinc/52/00/45/780520045.db2.gz JOLXZGKQAYRIAL-ZETCQYMHSA-N 1 2 258.303 -1.371 20 0 CAADLO Cn1ccnc1S(=O)(=O)N[C@H]1C[NH2+]CCC1=O ZINC001238628872 780520494 /nfs/dbraw/zinc/52/04/94/780520494.db2.gz VEWJVLWIXCIIMS-ZETCQYMHSA-N 1 2 258.303 -1.371 20 0 CAADLO COC(=O)CCS(=O)(=O)N[C@H]1C[NH2+]CCC1=O ZINC001238629309 780520535 /nfs/dbraw/zinc/52/05/35/780520535.db2.gz XKTIEOPFUSMJDN-ZETCQYMHSA-N 1 2 264.303 -1.600 20 0 CAADLO O=C1CCNC[C@H]1[NH2+]C[C@H](O)CN1CCOCC1 ZINC001245998993 780538970 /nfs/dbraw/zinc/53/89/70/780538970.db2.gz VTMWOOOYMQGNJJ-WDEREUQCSA-N 1 2 257.334 -1.800 20 0 CAADLO O=C1CCNC[C@@H]1[NH2+]C[C@H](O)CN1CCOCC1 ZINC001245998991 780539184 /nfs/dbraw/zinc/53/91/84/780539184.db2.gz VTMWOOOYMQGNJJ-QWRGUYRKSA-N 1 2 257.334 -1.800 20 0 CAADLO O=C1CCNC[C@H]1[NH2+]C[C@@H](O)CN1CCOCC1 ZINC001245998987 780539742 /nfs/dbraw/zinc/53/97/42/780539742.db2.gz VTMWOOOYMQGNJJ-GHMZBOCLSA-N 1 2 257.334 -1.800 20 0 CAADLO OCc1ncn2c1CN(C[C@H](O)C[NH+]1CCOCC1)CC2 ZINC001246034544 780540719 /nfs/dbraw/zinc/54/07/19/780540719.db2.gz DOPRGYHRCCEDPW-GFCCVEGCSA-N 1 2 296.371 -1.116 20 0 CAADLO COC(=O)[C@@H](O)C[N@@H+]1CCn2cnc(CO)c2C1 ZINC001246038592 780541704 /nfs/dbraw/zinc/54/17/04/780541704.db2.gz SGHZBIQKGMULKQ-JTQLQIEISA-N 1 2 255.274 -1.275 20 0 CAADLO COC(=O)[C@@H](O)C[N@H+]1CCn2cnc(CO)c2C1 ZINC001246038592 780541711 /nfs/dbraw/zinc/54/17/11/780541711.db2.gz SGHZBIQKGMULKQ-JTQLQIEISA-N 1 2 255.274 -1.275 20 0 CAADLO CCOC(=O)[C@H](CO)N[C@H]1C[NH2+][C@H](C(=O)OC)C1 ZINC001246155437 780546999 /nfs/dbraw/zinc/54/69/99/780546999.db2.gz YHISLTVYLYDACZ-VGMNWLOBSA-N 1 2 260.290 -1.597 20 0 CAADLO COC(=O)C[C@H](N[C@@H]1C[NH2+][C@H](C(=O)OC)C1)C(=O)OC ZINC001246147179 780545947 /nfs/dbraw/zinc/54/59/47/780545947.db2.gz KHAOIFPVBVWOLL-CIUDSAMLSA-N 1 2 288.300 -1.416 20 0 CAADLO COC(=O)C[C@H](N[C@H]1C[NH2+][C@H](C(=O)OC)C1)C(=O)OC ZINC001246147183 780546030 /nfs/dbraw/zinc/54/60/30/780546030.db2.gz KHAOIFPVBVWOLL-VGMNWLOBSA-N 1 2 288.300 -1.416 20 0 CAADLO COC(=O)[C@@H]1C[C@@H](NCc2noc(C(=O)N(C)C)n2)C[NH2+]1 ZINC001246179356 780546784 /nfs/dbraw/zinc/54/67/84/780546784.db2.gz MLMQJAXNAACHBV-SFYZADRCSA-N 1 2 297.315 -1.236 20 0 CAADLO CCOC(=O)[C@H](CO)N[C@@H]1C[NH2+][C@H](C(=O)OC)C1 ZINC001246155436 780546873 /nfs/dbraw/zinc/54/68/73/780546873.db2.gz YHISLTVYLYDACZ-CIUDSAMLSA-N 1 2 260.290 -1.597 20 0 CAADLO COC(=O)[C@@H](N[C@H]1C[NH2+][C@H](C(=O)OC)C1)[C@@H](C)O ZINC001246154762 780547155 /nfs/dbraw/zinc/54/71/55/780547155.db2.gz UDDVGVSNEVEHNY-HXFLIBJXSA-N 1 2 260.290 -1.598 20 0 CAADLO CCOC(=O)[C@@H](N[C@H]1C[NH2+][C@H](C(=O)OC)C1)[C@@H](C)O ZINC001246215513 780548126 /nfs/dbraw/zinc/54/81/26/780548126.db2.gz YMDKCHGZTRXEAH-IMSYWVGJSA-N 1 2 274.317 -1.208 20 0 CAADLO COC(=O)[C@@H]1C[C@H](NC2(C(=O)OC)COC2)C[NH2+]1 ZINC001246221969 780548430 /nfs/dbraw/zinc/54/84/30/780548430.db2.gz GYQFKZMFRVRVQF-YUMQZZPRSA-N 1 2 258.274 -1.579 20 0 CAADLO CCOC(=O)[C@@H](N[C@@H]1C[NH2+][C@H](C(=O)OC)C1)[C@@H](C)O ZINC001246215516 780549040 /nfs/dbraw/zinc/54/90/40/780549040.db2.gz YMDKCHGZTRXEAH-KATARQTJSA-N 1 2 274.317 -1.208 20 0 CAADLO COC(=O)[C@@H](N[C@H]1C[NH2+][C@H](C(=O)OC)C1)C(C)=O ZINC001246260949 780549808 /nfs/dbraw/zinc/54/98/08/780549808.db2.gz CEVLDEHAVXLLLL-VGMNWLOBSA-N 1 2 258.274 -1.390 20 0 CAADLO COC(=O)[C@H](N[C@H]1C[NH2+][C@H](C(=O)OC)C1)C(C)=O ZINC001246260946 780550072 /nfs/dbraw/zinc/55/00/72/780550072.db2.gz CEVLDEHAVXLLLL-HRDYMLBCSA-N 1 2 258.274 -1.390 20 0 CAADLO COC(=O)[C@H](N[C@@H]1C[NH2+][C@H](C(=O)OC)C1)[C@@H](C)O ZINC001246278245 780551170 /nfs/dbraw/zinc/55/11/70/780551170.db2.gz UDDVGVSNEVEHNY-RYPBNFRJSA-N 1 2 260.290 -1.598 20 0 CAADLO CCOC(=O)[C@H](N[C@@H]1C[NH2+][C@H](C(=O)OC)C1)[C@@H](C)O ZINC001246269835 780551421 /nfs/dbraw/zinc/55/14/21/780551421.db2.gz YMDKCHGZTRXEAH-XFWSIPNHSA-N 1 2 274.317 -1.208 20 0 CAADLO COC(=O)[C@@H]1C[C@@H]([NH2+][C@@H]2CNCCC2=O)CCN1 ZINC001246293292 780551442 /nfs/dbraw/zinc/55/14/42/780551442.db2.gz PLWMQLYKNNNFLE-LPEHRKFASA-N 1 2 255.318 -1.199 20 0 CAADLO COC(=O)[C@@H](CC(N)=O)N[C@@H]1C[NH2+][C@H](C(=O)OC)C1 ZINC001246355835 780552169 /nfs/dbraw/zinc/55/21/69/780552169.db2.gz DTNYQFHJQZDVTJ-BIIVOSGPSA-N 1 2 273.289 -2.104 20 0 CAADLO COC(=O)[C@@H]1C[C@H](N2CC(=O)N(C3CC3)C(=O)C2)C[NH2+]1 ZINC001246574361 780556406 /nfs/dbraw/zinc/55/64/06/780556406.db2.gz UTYXBVFWXQGUOM-UWVGGRQHSA-N 1 2 281.312 -1.277 20 0 CAADLO COC(=O)[C@@H]1C[C@@H](N2CC(=O)N(C3CC3)C(=O)C2)C[NH2+]1 ZINC001246574368 780557021 /nfs/dbraw/zinc/55/70/21/780557021.db2.gz UTYXBVFWXQGUOM-ZJUUUORDSA-N 1 2 281.312 -1.277 20 0 CAADLO COC(=O)[C@@H]1CC[C@H]([N@@H+]2CCN3C(=O)COC[C@@H]3C2)CN1 ZINC001246865943 780562605 /nfs/dbraw/zinc/56/26/05/780562605.db2.gz DKASCTMAAUATMP-SRVKXCTJSA-N 1 2 297.355 -1.177 20 0 CAADLO COC(=O)[C@@H]1CC[C@H]([N@H+]2CCN3C(=O)COC[C@@H]3C2)CN1 ZINC001246865943 780562609 /nfs/dbraw/zinc/56/26/09/780562609.db2.gz DKASCTMAAUATMP-SRVKXCTJSA-N 1 2 297.355 -1.177 20 0 CAADLO COC(=O)[C@@H]1CC[C@H]([N@@H+]2CCN3C(=O)COC[C@H]3C2)CN1 ZINC001246865944 780562809 /nfs/dbraw/zinc/56/28/09/780562809.db2.gz DKASCTMAAUATMP-TUAOUCFPSA-N 1 2 297.355 -1.177 20 0 CAADLO COC(=O)[C@@H]1CC[C@H]([N@H+]2CCN3C(=O)COC[C@H]3C2)CN1 ZINC001246865944 780562813 /nfs/dbraw/zinc/56/28/13/780562813.db2.gz DKASCTMAAUATMP-TUAOUCFPSA-N 1 2 297.355 -1.177 20 0 CAADLO COC(=O)[C@@H]1CC[C@H]([NH+]2CCN(CC(N)=O)CC2)CN1 ZINC001246848273 780563482 /nfs/dbraw/zinc/56/34/82/780563482.db2.gz YAQKOHHZJKWKJN-QWRGUYRKSA-N 1 2 284.360 -1.617 20 0 CAADLO COC(=O)[C@@H]1CC[C@@H]([N@@H+]2CCN3C(=O)COC[C@H]3C2)CN1 ZINC001246865945 780564928 /nfs/dbraw/zinc/56/49/28/780564928.db2.gz DKASCTMAAUATMP-UTUOFQBUSA-N 1 2 297.355 -1.177 20 0 CAADLO COC(=O)[C@@H]1CC[C@@H]([N@H+]2CCN3C(=O)COC[C@H]3C2)CN1 ZINC001246865945 780564929 /nfs/dbraw/zinc/56/49/29/780564929.db2.gz DKASCTMAAUATMP-UTUOFQBUSA-N 1 2 297.355 -1.177 20 0 CAADLO Cn1nnc(CNC(=O)N[C@H]2Cc3c[nH+]cn3C2)n1 ZINC001248372936 780567654 /nfs/dbraw/zinc/56/76/54/780567654.db2.gz JXJJNPVVMTZPQW-ZETCQYMHSA-N 1 2 262.277 -1.169 20 0 CAADLO Cn1nnc(CNC(=O)N[C@@H]2Cc3c[nH+]cn3C2)n1 ZINC001248372935 780567842 /nfs/dbraw/zinc/56/78/42/780567842.db2.gz JXJJNPVVMTZPQW-SSDOTTSWSA-N 1 2 262.277 -1.169 20 0 CAADLO C[C@H]1CN(C[C@@H](O)C[NH+]2CCOCC2)CC(=O)N1 ZINC001251011479 780569433 /nfs/dbraw/zinc/56/94/33/780569433.db2.gz LBYMVKGPINWEIH-QWRGUYRKSA-N 1 2 257.334 -1.500 20 0 CAADLO CC(=O)N(C)C1CN(C[C@@H](O)C[NH+]2CCOCC2)C1 ZINC001251016414 780569461 /nfs/dbraw/zinc/56/94/61/780569461.db2.gz UVHMKFRZCPPRGY-ZDUSSCGKSA-N 1 2 271.361 -1.158 20 0 CAADLO N#CN1CCN(C[C@@H](O)C[NH+]2CCOCC2)CC1 ZINC001251021919 780569681 /nfs/dbraw/zinc/56/96/81/780569681.db2.gz BWUXVMDRVFZZPT-GFCCVEGCSA-N 1 2 254.334 -1.222 20 0 CAADLO C[C@@H]1CNC(=O)CN1C[C@@H](O)C[NH+]1CCOCC1 ZINC001251021456 780569824 /nfs/dbraw/zinc/56/98/24/780569824.db2.gz MCWWLJHGSPTPCF-MNOVXSKESA-N 1 2 257.334 -1.500 20 0 CAADLO O=C1COC[C@@H]2CN(C[C@@H](O)C[NH+]3CCOCC3)CCN12 ZINC001251021550 780569994 /nfs/dbraw/zinc/56/99/94/780569994.db2.gz ODIYMOLKBPOMIZ-STQMWFEESA-N 1 2 299.371 -1.778 20 0 CAADLO O=C1COC[C@H]2CN(C[C@H](O)C[NH+]3CCOCC3)CCN12 ZINC001251021547 780570123 /nfs/dbraw/zinc/57/01/23/780570123.db2.gz ODIYMOLKBPOMIZ-CHWSQXEVSA-N 1 2 299.371 -1.778 20 0 CAADLO NC(=O)[C@@H]1C[C@H](F)CN1C[C@@H](O)C[NH+]1CCOCC1 ZINC001251018482 780570377 /nfs/dbraw/zinc/57/03/77/780570377.db2.gz JAVGVUQXIWCPQB-DCAQKATOSA-N 1 2 275.324 -1.423 20 0 CAADLO O[C@H](CN1CCn2nncc2C1)C[NH+]1CCOCC1 ZINC001251022746 780570684 /nfs/dbraw/zinc/57/06/84/780570684.db2.gz YYURLGGGDRKDBH-LBPRGKRZSA-N 1 2 267.333 -1.213 20 0 CAADLO CNC(=O)c1nccnc1NC[C@H](O)C[NH+]1CCOCC1 ZINC001251010799 780570721 /nfs/dbraw/zinc/57/07/21/780570721.db2.gz DABQKVNZELWAJX-JTQLQIEISA-N 1 2 295.343 -1.059 20 0 CAADLO O[C@@H](CN1CC(N2CCOCC2)C1)C[NH+]1CCOCC1 ZINC001251016801 780570790 /nfs/dbraw/zinc/57/07/90/780570790.db2.gz ZAHRMBYZWJHYOE-CQSZACIVSA-N 1 2 285.388 -1.304 20 0 CAADLO Cc1cc(NC[C@H](O)C[NH+]2CCOCC2)n(N)c(=O)c1 ZINC001251040501 780571344 /nfs/dbraw/zinc/57/13/44/780571344.db2.gz TYOYXCIZEHLZRO-NSHDSACASA-N 1 2 282.344 -1.024 20 0 CAADLO COC(=O)C1(NC[C@H](O)C[NH+]2CCOCC2)COC1 ZINC001251038469 780571784 /nfs/dbraw/zinc/57/17/84/780571784.db2.gz XDRJYAPKRLYGPG-JTQLQIEISA-N 1 2 274.317 -1.789 20 0 CAADLO Cc1nnc(C[NH2+]C[C@@H](O)CN2CCOCC2)[nH]1 ZINC001251048162 780572625 /nfs/dbraw/zinc/57/26/25/780572625.db2.gz DMXXKSOOVKTINF-SNVBAGLBSA-N 1 2 255.322 -1.104 20 0 CAADLO Cc1nnc(C[NH2+]C[C@H](O)CN2CCOCC2)[nH]1 ZINC001251048160 780572982 /nfs/dbraw/zinc/57/29/82/780572982.db2.gz DMXXKSOOVKTINF-JTQLQIEISA-N 1 2 255.322 -1.104 20 0 CAADLO COC(=O)[C@H]1C[C@@H]2COC[C@H](C1)[N@@H+]2C[C@H](O)CO ZINC001252061329 780582453 /nfs/dbraw/zinc/58/24/53/780582453.db2.gz GFKGLFRHWOUXLC-VLEAKVRGSA-N 1 2 259.302 -1.008 20 0 CAADLO COC(=O)[C@H]1C[C@@H]2COC[C@H](C1)[N@H+]2C[C@H](O)CO ZINC001252061329 780582457 /nfs/dbraw/zinc/58/24/57/780582457.db2.gz GFKGLFRHWOUXLC-VLEAKVRGSA-N 1 2 259.302 -1.008 20 0 CAADLO COC(=O)[C@H](CCc1cn(C)c[nH+]1)NC[C@H](O)CO ZINC001252074335 780582603 /nfs/dbraw/zinc/58/26/03/780582603.db2.gz ABMQNBBURWJXJD-QWRGUYRKSA-N 1 2 271.317 -1.163 20 0 CAADLO CC(=O)N1CCOC[C@@]2(C[N@H+](C[C@H](O)CO)CCO2)C1 ZINC001252059466 780582788 /nfs/dbraw/zinc/58/27/88/780582788.db2.gz XLGACQCTMOTKBL-QWHCGFSZSA-N 1 2 288.344 -1.711 20 0 CAADLO CC(=O)N1CCOC[C@@]2(C[N@@H+](C[C@H](O)CO)CCO2)C1 ZINC001252059466 780582796 /nfs/dbraw/zinc/58/27/96/780582796.db2.gz XLGACQCTMOTKBL-QWHCGFSZSA-N 1 2 288.344 -1.711 20 0 CAADLO COC(=O)[C@@H](O)C[NH+]1CCN([C@H]2CCOC2)CC1 ZINC001252408282 780584635 /nfs/dbraw/zinc/58/46/35/780584635.db2.gz ZTZKIZFPZMZINV-QWRGUYRKSA-N 1 2 258.318 -1.073 20 0 CAADLO COC(=O)[C@@H](O)C[NH+]1CCN(c2ncncn2)CC1 ZINC001252423035 780585423 /nfs/dbraw/zinc/58/54/23/780585423.db2.gz MPROCHDNUBQWQQ-VIFPVBQESA-N 1 2 267.289 -1.473 20 0 CAADLO COC(=O)[C@H](O)C[N@@H+]1CCN(C)[C@H](C(=O)OC)C1 ZINC001252427870 780586502 /nfs/dbraw/zinc/58/65/02/780586502.db2.gz LLKUQGIITKTHPS-DTWKUNHWSA-N 1 2 260.290 -1.691 20 0 CAADLO COC(=O)[C@H](O)C[N@H+]1CCN(C)[C@H](C(=O)OC)C1 ZINC001252427870 780586509 /nfs/dbraw/zinc/58/65/09/780586509.db2.gz LLKUQGIITKTHPS-DTWKUNHWSA-N 1 2 260.290 -1.691 20 0 CAADLO COC(=O)[C@@H](O)C[N@@H+]1CCN2C(=O)COC[C@@H]2C1 ZINC001252427326 780586565 /nfs/dbraw/zinc/58/65/65/780586565.db2.gz HOZFPCXOXXUAJC-IUCAKERBSA-N 1 2 258.274 -1.937 20 0 CAADLO COC(=O)[C@@H](O)C[N@H+]1CCN2C(=O)COC[C@@H]2C1 ZINC001252427326 780586569 /nfs/dbraw/zinc/58/65/69/780586569.db2.gz HOZFPCXOXXUAJC-IUCAKERBSA-N 1 2 258.274 -1.937 20 0 CAADLO COC(=O)[C@H](O)CN[C@@H](Cc1c[nH+]cn1C)C(=O)OC ZINC001252443679 780587256 /nfs/dbraw/zinc/58/72/56/780587256.db2.gz GWHSUOVBCILFFD-VHSXEESVSA-N 1 2 285.300 -1.372 20 0 CAADLO COC(=O)[C@@H](O)CN[C@@H](Cc1c[nH+]cn1C)C(=O)OC ZINC001252443677 780587368 /nfs/dbraw/zinc/58/73/68/780587368.db2.gz GWHSUOVBCILFFD-UWVGGRQHSA-N 1 2 285.300 -1.372 20 0 CAADLO COC(=O)[C@H](O)CN[C@H](Cc1c[nH+]cn1C)C(=O)OC ZINC001252443676 780587607 /nfs/dbraw/zinc/58/76/07/780587607.db2.gz GWHSUOVBCILFFD-NXEZZACHSA-N 1 2 285.300 -1.372 20 0 CAADLO COc1ccc(OC[C@@H](O)C[NH2+]C(C(N)=O)C(N)=O)cc1 ZINC001252729552 780589221 /nfs/dbraw/zinc/58/92/21/780589221.db2.gz CUWWDMCPZIXRSX-QMMMGPOBSA-N 1 2 297.311 -1.636 20 0 CAADLO C[NH+](C)Cc1cn([C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]2O)nn1 ZINC001254114053 780599990 /nfs/dbraw/zinc/59/99/90/780599990.db2.gz LBACVRGNVNFAFR-ILAIQSSSSA-N 1 2 288.304 -2.688 20 0 CAADLO Cc1noc([C@@H](C)[NH2+]C[C@H](O)CN(C)C(=O)C(N)=O)n1 ZINC001278798215 780606610 /nfs/dbraw/zinc/60/66/10/780606610.db2.gz NPVMQRMJFPHKIP-SVRRBLITSA-N 1 2 285.304 -1.667 20 0 CAADLO Cc1noc([C@H](C)[NH2+]C[C@H](O)CN(C)C(=O)C(N)=O)n1 ZINC001278798216 780606700 /nfs/dbraw/zinc/60/67/00/780606700.db2.gz NPVMQRMJFPHKIP-XPUUQOCRSA-N 1 2 285.304 -1.667 20 0 CAADLO Cc1noc([C@H](C)[N@@H+]2CC[C@](O)(CNC(=O)C(N)=O)C2)n1 ZINC001278801575 780607856 /nfs/dbraw/zinc/60/78/56/780607856.db2.gz YHTZSGXDOPEGHC-MADCSZMMSA-N 1 2 297.315 -1.523 20 0 CAADLO Cc1noc([C@H](C)[N@H+]2CC[C@](O)(CNC(=O)C(N)=O)C2)n1 ZINC001278801575 780607858 /nfs/dbraw/zinc/60/78/58/780607858.db2.gz YHTZSGXDOPEGHC-MADCSZMMSA-N 1 2 297.315 -1.523 20 0 CAADLO Cn1cc(C(=O)NCC2(O)C[NH+](CCCO)C2)nn1 ZINC001278857689 780613934 /nfs/dbraw/zinc/61/39/34/780613934.db2.gz RBILQOHAXLLOKE-UHFFFAOYSA-N 1 2 269.305 -2.026 20 0 CAADLO CCOC(=O)N1CC[C@@H]([NH2+]C(C(N)=O)C(N)=O)C1 ZINC001256014151 780620337 /nfs/dbraw/zinc/62/03/37/780620337.db2.gz LXSCOVGVIBCGRU-ZCFIWIBFSA-N 1 2 258.278 -1.854 20 0 CAADLO COCCC[NH+]1CC(O)(CNC(=O)c2cnn(C)n2)C1 ZINC001278914484 780621140 /nfs/dbraw/zinc/62/11/40/780621140.db2.gz XVDYBUNMERIQGB-UHFFFAOYSA-N 1 2 283.332 -1.372 20 0 CAADLO [NH3+][C@@H]1NCN(C2CCS(=O)(=O)CC2)[C@@H]2NCN[C@@H]21 ZINC001256383533 780623782 /nfs/dbraw/zinc/62/37/82/780623782.db2.gz JYDPUFXWUIYZOT-BBBLOLIVSA-N 1 2 275.378 -2.444 20 0 CAADLO Cn1ccc(C(=O)NCC2(O)C[NH+](CCCO)C2)n1 ZINC001278931610 780624025 /nfs/dbraw/zinc/62/40/25/780624025.db2.gz FOVVTGSYTUIEDS-UHFFFAOYSA-N 1 2 268.317 -1.421 20 0 CAADLO CC(C)C(=O)NCCNC(=O)C(=O)NCCn1cc[nH+]c1 ZINC001256873753 780626754 /nfs/dbraw/zinc/62/67/54/780626754.db2.gz KFLIADPYCIBFTI-UHFFFAOYSA-N 1 2 295.343 -1.112 20 0 CAADLO O=C(NCCCn1cc[nH+]c1)C(=O)NC[C@H]1COCCO1 ZINC001256812882 780627464 /nfs/dbraw/zinc/62/74/64/780627464.db2.gz GDOGZFQRRAJUEN-NSHDSACASA-N 1 2 296.327 -1.079 20 0 CAADLO NC(=O)CC(=O)N1CC[NH+](CCN2C(=O)CNC2=O)CC1 ZINC001258279888 780632914 /nfs/dbraw/zinc/63/29/14/780632914.db2.gz ZNNCAFMVJZUKEF-UHFFFAOYSA-N 1 2 297.315 -2.442 20 0 CAADLO CNC(=O)C[NH+]1CCC(NS(=O)(=O)CCOC)CC1 ZINC001259975603 780645131 /nfs/dbraw/zinc/64/51/31/780645131.db2.gz IORGYCODWVNSHY-UHFFFAOYSA-N 1 2 293.389 -1.237 20 0 CAADLO C[C@H](O)C[NH+]1CCN(C(=O)C(=O)N(C)C2CC(O)C2)CC1 ZINC001261344005 780662918 /nfs/dbraw/zinc/66/29/18/780662918.db2.gz MCECHDILHCUYRP-UNXYVOJBSA-N 1 2 299.371 -1.507 20 0 CAADLO COC(=O)Cn1cc(C[NH2+][C@H]2CCNC2=O)nn1 ZINC001261673009 780677945 /nfs/dbraw/zinc/67/79/45/780677945.db2.gz IYXVJRQQBCVVDJ-QMMMGPOBSA-N 1 2 253.262 -1.571 20 0 CAADLO O=C(NCCc1[nH]cc[nH+]1)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1 ZINC001261686403 780678540 /nfs/dbraw/zinc/67/85/40/780678540.db2.gz MXNZPLCJHFCDQK-FXPVBKGRSA-N 1 2 267.285 -1.519 20 0 CAADLO O=C(NC[C@H]1C[NH+]2CCN1CC2)c1cn[nH]c(=O)c1 ZINC001261760098 780682512 /nfs/dbraw/zinc/68/25/12/780682512.db2.gz AFSDGRZUDJWSTO-JTQLQIEISA-N 1 2 263.301 -1.088 20 0 CAADLO CN1C(=O)C(=O)N(CC(=O)N[C@@H]2Cc3c[nH+]cn3C2)C1=O ZINC001261782592 780683138 /nfs/dbraw/zinc/68/31/38/780683138.db2.gz MMZHNHNQDDMVCC-SSDOTTSWSA-N 1 2 291.267 -1.655 20 0 CAADLO CNC(=O)[C@H](O)CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001261772340 780683386 /nfs/dbraw/zinc/68/33/86/780683386.db2.gz VWSCOYCGUMQJJY-RKDXNWHRSA-N 1 2 266.301 -1.331 20 0 CAADLO CNC(=O)[C@H](O)CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001261772338 780683644 /nfs/dbraw/zinc/68/36/44/780683644.db2.gz VWSCOYCGUMQJJY-DTWKUNHWSA-N 1 2 266.301 -1.331 20 0 CAADLO CN1C(=O)C(=O)N(CC(=O)N[C@H]2Cc3c[nH+]cn3C2)C1=O ZINC001261782593 780683696 /nfs/dbraw/zinc/68/36/96/780683696.db2.gz MMZHNHNQDDMVCC-ZETCQYMHSA-N 1 2 291.267 -1.655 20 0 CAADLO C[N@H+](CCN1CCNC1=O)CCS(N)(=O)=O ZINC001262021596 780697001 /nfs/dbraw/zinc/69/70/01/780697001.db2.gz LWBZQQRZAIDYJV-UHFFFAOYSA-N 1 2 250.324 -1.768 20 0 CAADLO C[N@@H+](CCN1CCNC1=O)CCS(N)(=O)=O ZINC001262021596 780697009 /nfs/dbraw/zinc/69/70/09/780697009.db2.gz LWBZQQRZAIDYJV-UHFFFAOYSA-N 1 2 250.324 -1.768 20 0 CAADLO C[C@@H](C(=O)NC[C@@]1(O)CCS(=O)(=O)C1)[NH+](C)C ZINC001262016236 780696667 /nfs/dbraw/zinc/69/66/67/780696667.db2.gz OLNDKTHENGTPHP-WPRPVWTQSA-N 1 2 264.347 -1.398 20 0 CAADLO COCC[N@H+](C[C@@H](O)CO)[C@H]1CCS(=O)(=O)C1 ZINC001262235664 780705588 /nfs/dbraw/zinc/70/55/88/780705588.db2.gz KNQRTWXDPHIREZ-VHSXEESVSA-N 1 2 267.347 -1.525 20 0 CAADLO CC1(C)CNC(=O)[C@@H]1NC(=O)CN1CC[NH2+]CC1=O ZINC001262046869 780698603 /nfs/dbraw/zinc/69/86/03/780698603.db2.gz AGXXFQMYGWRJTL-JTQLQIEISA-N 1 2 268.317 -1.941 20 0 CAADLO COCC[N@@H+](C[C@@H](O)CO)[C@H]1CCS(=O)(=O)C1 ZINC001262235664 780705592 /nfs/dbraw/zinc/70/55/92/780705592.db2.gz KNQRTWXDPHIREZ-VHSXEESVSA-N 1 2 267.347 -1.525 20 0 CAADLO O=C(CO)NCCC(=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC001262176031 780701525 /nfs/dbraw/zinc/70/15/25/780701525.db2.gz YWBVLYHGKMNYNU-SECBINFHSA-N 1 2 266.301 -1.187 20 0 CAADLO O=C(CN1CCNC(=O)C1)N1CCn2c[nH+]cc2C1 ZINC001262173595 780701546 /nfs/dbraw/zinc/70/15/46/780701546.db2.gz MKRAABLUGJCEAY-UHFFFAOYSA-N 1 2 263.301 -1.343 20 0 CAADLO O=C(CO)NCCC(=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC001262176032 780701753 /nfs/dbraw/zinc/70/17/53/780701753.db2.gz YWBVLYHGKMNYNU-VIFPVBQESA-N 1 2 266.301 -1.187 20 0 CAADLO C[N@@H+]1CCN(C(=O)CCc2nnc[nH]2)C[C@@H]1CO ZINC001262186061 780702918 /nfs/dbraw/zinc/70/29/18/780702918.db2.gz MMFJNVOABLHRFJ-SECBINFHSA-N 1 2 253.306 -1.128 20 0 CAADLO C[N@H+]1CCN(C(=O)CCc2nnc[nH]2)C[C@@H]1CO ZINC001262186061 780702921 /nfs/dbraw/zinc/70/29/21/780702921.db2.gz MMFJNVOABLHRFJ-SECBINFHSA-N 1 2 253.306 -1.128 20 0 CAADLO C[C@@H](C(=O)N1CC[N@H+](C)[C@@H](CO)C1)N1C(=O)CCC1=O ZINC001262185780 780703176 /nfs/dbraw/zinc/70/31/76/780703176.db2.gz AEGSUWMZLYCLQV-VHSXEESVSA-N 1 2 283.328 -1.341 20 0 CAADLO C[C@@H](C(=O)N1CC[N@@H+](C)[C@@H](CO)C1)N1C(=O)CCC1=O ZINC001262185780 780703179 /nfs/dbraw/zinc/70/31/79/780703179.db2.gz AEGSUWMZLYCLQV-VHSXEESVSA-N 1 2 283.328 -1.341 20 0 CAADLO Cn1c[nH+]cc1[C@H](CO)NC(=O)[C@@H]1OCCN(C)C1=O ZINC001262185003 780703186 /nfs/dbraw/zinc/70/31/86/780703186.db2.gz YWYMQNHVTSMJNP-WPRPVWTQSA-N 1 2 282.300 -1.573 20 0 CAADLO COC[C@@H]1NC(=O)N(C[C@H]2CN(C)CC[N@@H+]2C)C1=O ZINC001262201094 780704589 /nfs/dbraw/zinc/70/45/89/780704589.db2.gz NNUZMVQEUBGAAO-ZJUUUORDSA-N 1 2 270.333 -1.201 20 0 CAADLO COC[C@@H]1NC(=O)N(C[C@H]2CN(C)CC[N@H+]2C)C1=O ZINC001262201094 780704591 /nfs/dbraw/zinc/70/45/91/780704591.db2.gz NNUZMVQEUBGAAO-ZJUUUORDSA-N 1 2 270.333 -1.201 20 0 CAADLO C[C@H](O)[C@@H](O)C[N@@H+]1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC001262239636 780704952 /nfs/dbraw/zinc/70/49/52/780704952.db2.gz FSHASBDGSFTFAD-GUBZILKMSA-N 1 2 266.363 -1.306 20 0 CAADLO C[C@H](O)[C@@H](O)C[N@H+]1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC001262239636 780704962 /nfs/dbraw/zinc/70/49/62/780704962.db2.gz FSHASBDGSFTFAD-GUBZILKMSA-N 1 2 266.363 -1.306 20 0 CAADLO COCC[N@H+](C[C@@H](O)CO)[C@@H]1CCS(=O)(=O)C1 ZINC001262235663 780706038 /nfs/dbraw/zinc/70/60/38/780706038.db2.gz KNQRTWXDPHIREZ-NXEZZACHSA-N 1 2 267.347 -1.525 20 0 CAADLO COCC[N@@H+](C[C@@H](O)CO)[C@@H]1CCS(=O)(=O)C1 ZINC001262235663 780706041 /nfs/dbraw/zinc/70/60/41/780706041.db2.gz KNQRTWXDPHIREZ-NXEZZACHSA-N 1 2 267.347 -1.525 20 0 CAADLO O=C(CN1CC[NH2+]CC1=O)NC1CC(CCO)C1 ZINC001263247625 780724557 /nfs/dbraw/zinc/72/45/57/780724557.db2.gz DATLWDXXDWSADX-UHFFFAOYSA-N 1 2 255.318 -1.305 20 0 CAADLO CCOC(=O)[C@H](N)C(=O)N[C@@H](C)[C@@H]1CN(C)CC[N@@H+]1C ZINC001263306509 780725723 /nfs/dbraw/zinc/72/57/23/780725723.db2.gz ZUACFYGPYYWKCB-GARJFASQSA-N 1 2 286.376 -1.373 20 0 CAADLO CCOC(=O)[C@H](N)C(=O)N[C@@H](C)[C@@H]1CN(C)CC[N@H+]1C ZINC001263306509 780725726 /nfs/dbraw/zinc/72/57/26/780725726.db2.gz ZUACFYGPYYWKCB-GARJFASQSA-N 1 2 286.376 -1.373 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CC[C@@H]1CN(C)C(=O)C1(C(N)=O)CC1 ZINC001263809934 780730474 /nfs/dbraw/zinc/73/04/74/780730474.db2.gz QSMWYPBEIXAFJG-RKDXNWHRSA-N 1 2 282.344 -1.342 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CC[C@@H]1CN(C)C(=O)C1(C(N)=O)CC1 ZINC001263809934 780730481 /nfs/dbraw/zinc/73/04/81/780730481.db2.gz QSMWYPBEIXAFJG-RKDXNWHRSA-N 1 2 282.344 -1.342 20 0 CAADLO Cn1cc[nH+]c1CCC(=O)N[C@@H]1CN(C)NC1=O ZINC001263773505 780730708 /nfs/dbraw/zinc/73/07/08/780730708.db2.gz WQXKTFOZITUTIN-MRVPVSSYSA-N 1 2 251.290 -1.186 20 0 CAADLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)Cn1ncnn1 ZINC001263860655 780731561 /nfs/dbraw/zinc/73/15/61/780731561.db2.gz BTQGWCJSNMVBPU-ZJUUUORDSA-N 1 2 268.321 -1.102 20 0 CAADLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)Cn1ncnn1 ZINC001263860655 780731564 /nfs/dbraw/zinc/73/15/64/780731564.db2.gz BTQGWCJSNMVBPU-ZJUUUORDSA-N 1 2 268.321 -1.102 20 0 CAADLO C[C@@H]1C[N@H+](CCNC(=O)Cn2ncnn2)[C@@H](C)CO1 ZINC001263860654 780731838 /nfs/dbraw/zinc/73/18/38/780731838.db2.gz BTQGWCJSNMVBPU-VHSXEESVSA-N 1 2 268.321 -1.102 20 0 CAADLO C[C@@H]1C[N@@H+](CCNC(=O)Cn2ncnn2)[C@@H](C)CO1 ZINC001263860654 780731841 /nfs/dbraw/zinc/73/18/41/780731841.db2.gz BTQGWCJSNMVBPU-VHSXEESVSA-N 1 2 268.321 -1.102 20 0 CAADLO C[C@@H]1[C@@H](NC(=O)CC(N)=O)CC[N@@H+]1CCS(C)(=O)=O ZINC001264135943 780733951 /nfs/dbraw/zinc/73/39/51/780733951.db2.gz XIEDZHMBCDNDBN-BDAKNGLRSA-N 1 2 291.373 -1.515 20 0 CAADLO C[C@@H]1[C@@H](NC(=O)CC(N)=O)CC[N@H+]1CCS(C)(=O)=O ZINC001264135943 780733956 /nfs/dbraw/zinc/73/39/56/780733956.db2.gz XIEDZHMBCDNDBN-BDAKNGLRSA-N 1 2 291.373 -1.515 20 0 CAADLO CCNC(=O)NC(=O)C[N@@H+]1CC[C@H](NC(=O)C(N)=O)[C@H]1C ZINC001264159038 780734787 /nfs/dbraw/zinc/73/47/87/780734787.db2.gz KRHAWJUGGXJGKK-SFYZADRCSA-N 1 2 299.331 -2.104 20 0 CAADLO CCNC(=O)NC(=O)C[N@H+]1CC[C@H](NC(=O)C(N)=O)[C@H]1C ZINC001264159038 780734791 /nfs/dbraw/zinc/73/47/91/780734791.db2.gz KRHAWJUGGXJGKK-SFYZADRCSA-N 1 2 299.331 -2.104 20 0 CAADLO C[N@@H+](CC(N)=O)C[C@@H]1CCCCN1C(=O)C(N)=O ZINC001264184151 780736119 /nfs/dbraw/zinc/73/61/19/780736119.db2.gz HTISKEXTWMNDFN-QMMMGPOBSA-N 1 2 256.306 -1.730 20 0 CAADLO C[N@H+](CC(N)=O)C[C@@H]1CCCCN1C(=O)C(N)=O ZINC001264184151 780736124 /nfs/dbraw/zinc/73/61/24/780736124.db2.gz HTISKEXTWMNDFN-QMMMGPOBSA-N 1 2 256.306 -1.730 20 0 CAADLO CNC(=O)C1(C(=O)N(C)C[C@H]2CC[N@@H+]2[C@H](C)C(N)=O)CC1 ZINC001264374166 780737363 /nfs/dbraw/zinc/73/73/63/780737363.db2.gz AZCAXCODUDUFJD-NXEZZACHSA-N 1 2 296.371 -1.081 20 0 CAADLO CNC(=O)C1(C(=O)N(C)C[C@H]2CC[N@H+]2[C@H](C)C(N)=O)CC1 ZINC001264374166 780737371 /nfs/dbraw/zinc/73/73/71/780737371.db2.gz AZCAXCODUDUFJD-NXEZZACHSA-N 1 2 296.371 -1.081 20 0 CAADLO CC(C)NC(=O)C[N@@H+]1CC[C@H](NC(=O)C(N)=O)[C@H]1C ZINC001264716655 780740333 /nfs/dbraw/zinc/74/03/33/780740333.db2.gz RQTAAAKZWYLBGJ-BDAKNGLRSA-N 1 2 270.333 -1.425 20 0 CAADLO CC(C)NC(=O)C[N@H+]1CC[C@H](NC(=O)C(N)=O)[C@H]1C ZINC001264716655 780740338 /nfs/dbraw/zinc/74/03/38/780740338.db2.gz RQTAAAKZWYLBGJ-BDAKNGLRSA-N 1 2 270.333 -1.425 20 0 CAADLO CNC(=O)C[N@H+](C)CCCNC(=O)Cc1nnc[nH]1 ZINC001265057451 780742166 /nfs/dbraw/zinc/74/21/66/780742166.db2.gz MIEWPGKLMCKKPV-UHFFFAOYSA-N 1 2 268.321 -1.469 20 0 CAADLO CNC(=O)C[N@@H+](C)CCCNC(=O)Cc1nnc[nH]1 ZINC001265057451 780742174 /nfs/dbraw/zinc/74/21/74/780742174.db2.gz MIEWPGKLMCKKPV-UHFFFAOYSA-N 1 2 268.321 -1.469 20 0 CAADLO COCCOCC(=O)N[C@@H]1CCC[N@H+](CC(N)=O)C1 ZINC001265207088 780743267 /nfs/dbraw/zinc/74/32/67/780743267.db2.gz AEYARMPRIHPJHI-SNVBAGLBSA-N 1 2 273.333 -1.285 20 0 CAADLO COCCOCC(=O)N[C@@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001265207088 780743275 /nfs/dbraw/zinc/74/32/75/780743275.db2.gz AEYARMPRIHPJHI-SNVBAGLBSA-N 1 2 273.333 -1.285 20 0 CAADLO CC[N@H+](CCCNC(=O)C(N)=O)Cc1nc(N(C)C)no1 ZINC001265130885 780744187 /nfs/dbraw/zinc/74/41/87/780744187.db2.gz GIEOGXHIGKGJDD-UHFFFAOYSA-N 1 2 298.347 -1.051 20 0 CAADLO CC[N@@H+](CCCNC(=O)C(N)=O)Cc1nc(N(C)C)no1 ZINC001265130885 780744188 /nfs/dbraw/zinc/74/41/88/780744188.db2.gz GIEOGXHIGKGJDD-UHFFFAOYSA-N 1 2 298.347 -1.051 20 0 CAADLO CNC(=O)[C@@H](C)[NH+]1CCN(CCNC(=O)C(N)=O)CC1 ZINC001265262719 780745508 /nfs/dbraw/zinc/74/55/08/780745508.db2.gz HARZTBIMBOPJQS-SECBINFHSA-N 1 2 285.348 -2.660 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)CCc2nnc[nH]2)C1 ZINC001265276221 780745686 /nfs/dbraw/zinc/74/56/86/780745686.db2.gz AMCAAARWFQFMNV-QMMMGPOBSA-N 1 2 266.305 -1.587 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)CCc2nnc[nH]2)C1 ZINC001265276221 780745690 /nfs/dbraw/zinc/74/56/90/780745690.db2.gz AMCAAARWFQFMNV-QMMMGPOBSA-N 1 2 266.305 -1.587 20 0 CAADLO CC[C@]1(C(=O)N[C@H]2CC[N@H+](CC(=O)NC)C2)CCNC1=O ZINC001265287561 780746055 /nfs/dbraw/zinc/74/60/55/780746055.db2.gz CITZUAYIMDZEGS-HZMBPMFUSA-N 1 2 296.371 -1.161 20 0 CAADLO CC[C@]1(C(=O)N[C@H]2CC[N@@H+](CC(=O)NC)C2)CCNC1=O ZINC001265287561 780746060 /nfs/dbraw/zinc/74/60/60/780746060.db2.gz CITZUAYIMDZEGS-HZMBPMFUSA-N 1 2 296.371 -1.161 20 0 CAADLO O=C(N[C@@H]1CC[N@@H+](CCOCCO)C1)c1cnn[nH]1 ZINC001265293221 780746475 /nfs/dbraw/zinc/74/64/75/780746475.db2.gz WWGDKEPVFAFUOB-SECBINFHSA-N 1 2 269.305 -1.382 20 0 CAADLO O=C(N[C@@H]1CC[N@H+](CCOCCO)C1)c1cnn[nH]1 ZINC001265293221 780746481 /nfs/dbraw/zinc/74/64/81/780746481.db2.gz WWGDKEPVFAFUOB-SECBINFHSA-N 1 2 269.305 -1.382 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)C(=O)NCC(F)F)C1 ZINC001265292471 780746743 /nfs/dbraw/zinc/74/67/43/780746743.db2.gz NJXMFAFJXKOMRT-RNFRBKRXSA-N 1 2 292.286 -1.568 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)C(=O)NCC(F)F)C1 ZINC001265292471 780746750 /nfs/dbraw/zinc/74/67/50/780746750.db2.gz NJXMFAFJXKOMRT-RNFRBKRXSA-N 1 2 292.286 -1.568 20 0 CAADLO CC[C@@]1(C(=O)N[C@@H]2CC[N@H+](CC(=O)NC)C2)CCNC1=O ZINC001265287563 780747049 /nfs/dbraw/zinc/74/70/49/780747049.db2.gz CITZUAYIMDZEGS-QMTHXVAHSA-N 1 2 296.371 -1.161 20 0 CAADLO CC[C@@]1(C(=O)N[C@@H]2CC[N@@H+](CC(=O)NC)C2)CCNC1=O ZINC001265287563 780747055 /nfs/dbraw/zinc/74/70/55/780747055.db2.gz CITZUAYIMDZEGS-QMTHXVAHSA-N 1 2 296.371 -1.161 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)C(=O)NCC(F)F)C1 ZINC001265292472 780747314 /nfs/dbraw/zinc/74/73/14/780747314.db2.gz NJXMFAFJXKOMRT-RQJHMYQMSA-N 1 2 292.286 -1.568 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)C(=O)NCC(F)F)C1 ZINC001265292472 780747320 /nfs/dbraw/zinc/74/73/20/780747320.db2.gz NJXMFAFJXKOMRT-RQJHMYQMSA-N 1 2 292.286 -1.568 20 0 CAADLO CCCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C2(C(N)=O)CC2)C1 ZINC001265301212 780747533 /nfs/dbraw/zinc/74/75/33/780747533.db2.gz GCKHVRCFDOSHGK-SNVBAGLBSA-N 1 2 296.371 -1.031 20 0 CAADLO CCCNC(=O)C[N@H+]1CC[C@@H](NC(=O)C2(C(N)=O)CC2)C1 ZINC001265301212 780747539 /nfs/dbraw/zinc/74/75/39/780747539.db2.gz GCKHVRCFDOSHGK-SNVBAGLBSA-N 1 2 296.371 -1.031 20 0 CAADLO NC(=O)C(=O)NC[C@@H]1CCC[N@H+](Cc2cnon2)C1 ZINC001265591376 780753418 /nfs/dbraw/zinc/75/34/18/780753418.db2.gz SXRUIWSQWINBIC-QMMMGPOBSA-N 1 2 267.289 -1.117 20 0 CAADLO Cn1[nH]c(C[N@@H+]2CCC[C@H](CNC(=O)C(N)=O)C2)nc1=O ZINC001265590459 780753380 /nfs/dbraw/zinc/75/33/80/780753380.db2.gz AGVPGNKOIVTGPY-MRVPVSSYSA-N 1 2 296.331 -2.078 20 0 CAADLO Cn1[nH]c(C[N@H+]2CCC[C@H](CNC(=O)C(N)=O)C2)nc1=O ZINC001265590459 780753384 /nfs/dbraw/zinc/75/33/84/780753384.db2.gz AGVPGNKOIVTGPY-MRVPVSSYSA-N 1 2 296.331 -2.078 20 0 CAADLO NC(=O)C(=O)NC[C@@H]1CCC[N@@H+](Cc2cnon2)C1 ZINC001265591376 780753422 /nfs/dbraw/zinc/75/34/22/780753422.db2.gz SXRUIWSQWINBIC-QMMMGPOBSA-N 1 2 267.289 -1.117 20 0 CAADLO CCNC(=O)C[N@@H+]1CCCC[C@@H]1CNC(=O)C(N)=O ZINC001265650665 780753711 /nfs/dbraw/zinc/75/37/11/780753711.db2.gz CFDJLQCBZCDDEQ-SECBINFHSA-N 1 2 270.333 -1.422 20 0 CAADLO CCNC(=O)C[N@H+]1CCCC[C@@H]1CNC(=O)C(N)=O ZINC001265650665 780753720 /nfs/dbraw/zinc/75/37/20/780753720.db2.gz CFDJLQCBZCDDEQ-SECBINFHSA-N 1 2 270.333 -1.422 20 0 CAADLO C[C@H](CNC(=O)C(N)=O)[NH2+]Cc1nnc2n1CCOC2 ZINC001265818658 780760314 /nfs/dbraw/zinc/76/03/14/780760314.db2.gz OWBWXPMJVMYMPD-SSDOTTSWSA-N 1 2 282.304 -2.112 20 0 CAADLO C[C@H](CNC(=O)C(=O)NCC1CC1)[NH2+]Cc1ncnn1C ZINC001265843741 780762300 /nfs/dbraw/zinc/76/23/00/780762300.db2.gz MGPPGVVDNCDSDC-SECBINFHSA-N 1 2 294.359 -1.064 20 0 CAADLO CN(C)C(=O)C[N@H+](C)CCCNC(=O)c1ncn[nH]1 ZINC001265940957 780764653 /nfs/dbraw/zinc/76/46/53/780764653.db2.gz PTOLQUXJSFYSCM-UHFFFAOYSA-N 1 2 268.321 -1.055 20 0 CAADLO CN(C)C(=O)C[N@@H+](C)CCCNC(=O)c1ncn[nH]1 ZINC001265940957 780764656 /nfs/dbraw/zinc/76/46/56/780764656.db2.gz PTOLQUXJSFYSCM-UHFFFAOYSA-N 1 2 268.321 -1.055 20 0 CAADLO CN(C)C(=O)C[N@H+](C)CCCNC(=O)c1nc[nH]n1 ZINC001265940957 780764658 /nfs/dbraw/zinc/76/46/58/780764658.db2.gz PTOLQUXJSFYSCM-UHFFFAOYSA-N 1 2 268.321 -1.055 20 0 CAADLO CN(C)C(=O)C[N@@H+](C)CCCNC(=O)c1nc[nH]n1 ZINC001265940957 780764663 /nfs/dbraw/zinc/76/46/63/780764663.db2.gz PTOLQUXJSFYSCM-UHFFFAOYSA-N 1 2 268.321 -1.055 20 0 CAADLO Cn1ncc(C[N@H+](C)CCCNC(=O)[C@H]2CCNC2=O)n1 ZINC001265902455 780765423 /nfs/dbraw/zinc/76/54/23/780765423.db2.gz OHTUPPOIKYZSGS-LLVKDONJSA-N 1 2 294.359 -1.111 20 0 CAADLO Cn1ncc(C[N@@H+](C)CCCNC(=O)[C@H]2CCNC2=O)n1 ZINC001265902455 780765426 /nfs/dbraw/zinc/76/54/26/780765426.db2.gz OHTUPPOIKYZSGS-LLVKDONJSA-N 1 2 294.359 -1.111 20 0 CAADLO Cn1cnnc1C[N@H+](CCCNC(=O)C(N)=O)C1CC1 ZINC001266157158 780769984 /nfs/dbraw/zinc/76/99/84/780769984.db2.gz YLHXYCCQGHWWIV-UHFFFAOYSA-N 1 2 280.332 -1.229 20 0 CAADLO Cn1cnnc1C[N@@H+](CCCNC(=O)C(N)=O)C1CC1 ZINC001266157158 780769992 /nfs/dbraw/zinc/76/99/92/780769992.db2.gz YLHXYCCQGHWWIV-UHFFFAOYSA-N 1 2 280.332 -1.229 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@@H](NC(=O)CCCCNC(N)=O)C1 ZINC001266225636 780771909 /nfs/dbraw/zinc/77/19/09/780771909.db2.gz QUYRZQWWFFQMHZ-SNVBAGLBSA-N 1 2 299.375 -1.109 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@@H](NC(=O)CCCCNC(N)=O)C1 ZINC001266225636 780771914 /nfs/dbraw/zinc/77/19/14/780771914.db2.gz QUYRZQWWFFQMHZ-SNVBAGLBSA-N 1 2 299.375 -1.109 20 0 CAADLO CCN(C)C(=O)C[N@@H+]1CCC[C@H](NC(=O)C(N)=O)C1 ZINC001266236859 780772136 /nfs/dbraw/zinc/77/21/36/780772136.db2.gz OIBWQNKIISNECR-VIFPVBQESA-N 1 2 270.333 -1.469 20 0 CAADLO CCN(C)C(=O)C[N@H+]1CCC[C@H](NC(=O)C(N)=O)C1 ZINC001266236859 780772140 /nfs/dbraw/zinc/77/21/40/780772140.db2.gz OIBWQNKIISNECR-VIFPVBQESA-N 1 2 270.333 -1.469 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@H](NC(=O)CCCCNC(N)=O)C1 ZINC001266225635 780772153 /nfs/dbraw/zinc/77/21/53/780772153.db2.gz QUYRZQWWFFQMHZ-JTQLQIEISA-N 1 2 299.375 -1.109 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@H](NC(=O)CCCCNC(N)=O)C1 ZINC001266225635 780772157 /nfs/dbraw/zinc/77/21/57/780772157.db2.gz QUYRZQWWFFQMHZ-JTQLQIEISA-N 1 2 299.375 -1.109 20 0 CAADLO Cc1oncc1C[N@@H+]1CCC[C@](CO)(NC(=O)C(N)=O)C1 ZINC001279508447 780774300 /nfs/dbraw/zinc/77/43/00/780774300.db2.gz CSEVBZNFQXRIFV-ZDUSSCGKSA-N 1 2 296.327 -1.089 20 0 CAADLO Cc1oncc1C[N@H+]1CCC[C@](CO)(NC(=O)C(N)=O)C1 ZINC001279508447 780774303 /nfs/dbraw/zinc/77/43/03/780774303.db2.gz CSEVBZNFQXRIFV-ZDUSSCGKSA-N 1 2 296.327 -1.089 20 0 CAADLO CO[C@H](C)C[NH+]1CC(CCO)(NC(=O)C(N)=O)C1 ZINC001282530209 780820952 /nfs/dbraw/zinc/82/09/52/780820952.db2.gz QAAVXDCQHAVFTM-MRVPVSSYSA-N 1 2 259.306 -1.940 20 0 CAADLO Cn1c[nH+]cc1CC(=O)NC1CC(CNC(=O)C(N)=O)C1 ZINC001280059858 780779145 /nfs/dbraw/zinc/77/91/45/780779145.db2.gz NCBOYKXKIYRABP-UHFFFAOYSA-N 1 2 293.327 -1.541 20 0 CAADLO Cn1[nH]c(C[NH2+]C2(CNC(=O)CC(N)=O)CCC2)nc1=O ZINC001280473295 780781797 /nfs/dbraw/zinc/78/17/97/780781797.db2.gz NGGQVWPFLKBOJD-UHFFFAOYSA-N 1 2 296.331 -1.888 20 0 CAADLO Cn1[nH]c(C[NH2+]C2(CNC(=O)C(N)=O)CCC2)nc1=O ZINC001280502654 780782661 /nfs/dbraw/zinc/78/26/61/780782661.db2.gz WYJGFXXSGKGLTC-UHFFFAOYSA-N 1 2 282.304 -2.278 20 0 CAADLO CCNC(=O)CC(=O)NC[C@H]1CCC2(C[NH+](CCO)C2)O1 ZINC001280917423 780788647 /nfs/dbraw/zinc/78/86/47/780788647.db2.gz BFIZBHSNQAMFSA-LLVKDONJSA-N 1 2 299.371 -1.146 20 0 CAADLO CCOCC(=O)N[C@H]1COC2(C[NH+](CCO)C2)C1 ZINC001280935616 780788656 /nfs/dbraw/zinc/78/86/56/780788656.db2.gz LUMUNRADUVJRFC-SNVBAGLBSA-N 1 2 258.318 -1.025 20 0 CAADLO CCNC(=O)CC(=O)N[C@@H]1COC2(C[NH+](C[C@H](C)O)C2)C1 ZINC001280946433 780789320 /nfs/dbraw/zinc/78/93/20/780789320.db2.gz BPDUBFPXUSCMHP-QWRGUYRKSA-N 1 2 299.371 -1.147 20 0 CAADLO CCNC(=O)CC(=O)N[C@@H]1COC2(C[NH+](C[C@@H](C)O)C2)C1 ZINC001280946432 780789381 /nfs/dbraw/zinc/78/93/81/780789381.db2.gz BPDUBFPXUSCMHP-MNOVXSKESA-N 1 2 299.371 -1.147 20 0 CAADLO CCNC(=O)CC(=O)N[C@H]1COC2(C[NH+](CCCO)C2)C1 ZINC001280948331 780789663 /nfs/dbraw/zinc/78/96/63/780789663.db2.gz RKIAFCYVBGSAGO-LLVKDONJSA-N 1 2 299.371 -1.146 20 0 CAADLO CCNC(=O)CC(=O)N[C@H]1COC2(C[NH+](C[C@H](C)O)C2)C1 ZINC001280946434 780789932 /nfs/dbraw/zinc/78/99/32/780789932.db2.gz BPDUBFPXUSCMHP-WDEREUQCSA-N 1 2 299.371 -1.147 20 0 CAADLO Cn1c[nH+]cc1CCC(=O)NC[C@H](CO)NC(=O)C(N)=O ZINC001281106984 780794932 /nfs/dbraw/zinc/79/49/32/780794932.db2.gz DRZFSMOIJTVKRD-MRVPVSSYSA-N 1 2 297.315 -2.569 20 0 CAADLO Cn1c[nH+]cc1CC(=O)N[C@H](CO)CNC(=O)C(N)=O ZINC001281112011 780795608 /nfs/dbraw/zinc/79/56/08/780795608.db2.gz SELVLCQJBGEEPW-ZETCQYMHSA-N 1 2 283.288 -2.959 20 0 CAADLO Cn1c[nH+]cc1CC(=O)N[C@@H](CO)CNC(=O)C(N)=O ZINC001281112010 780795928 /nfs/dbraw/zinc/79/59/28/780795928.db2.gz SELVLCQJBGEEPW-SSDOTTSWSA-N 1 2 283.288 -2.959 20 0 CAADLO NC(=O)C(=O)NCCCCCN1CC[NH+](CCO)CC1 ZINC001281788874 780807091 /nfs/dbraw/zinc/80/70/91/780807091.db2.gz PVQFRXNOBPBOSL-UHFFFAOYSA-N 1 2 286.376 -1.632 20 0 CAADLO NC(=O)C(=O)NC[C@H]1C[C@@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001282087112 780810820 /nfs/dbraw/zinc/81/08/20/780810820.db2.gz HOAJBEFGCHXAOV-AOOOYVTPSA-N 1 2 293.327 -1.231 20 0 CAADLO C[C@@H](NC(=O)C(N)=O)[C@@H](C)[NH2+]Cc1nnnn1C(C)(C)C ZINC001282181590 780811876 /nfs/dbraw/zinc/81/18/76/780811876.db2.gz BAIBACFIYQCMIF-HTQZYQBOSA-N 1 2 297.363 -1.104 20 0 CAADLO NC(=O)C(=O)N[C@@H]1CC[C@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001282132671 780812269 /nfs/dbraw/zinc/81/22/69/780812269.db2.gz UJBMJKLXWFXRTA-VHSXEESVSA-N 1 2 293.327 -1.231 20 0 CAADLO C[C@H](NC(=O)C(N)=O)[C@H](C)[NH2+]Cc1nnnn1C(C)(C)C ZINC001282181605 780812526 /nfs/dbraw/zinc/81/25/26/780812526.db2.gz BAIBACFIYQCMIF-YUMQZZPRSA-N 1 2 297.363 -1.104 20 0 CAADLO C[C@@H](NC(=O)C(N)=O)[C@H](C)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001282186259 780812582 /nfs/dbraw/zinc/81/25/82/780812582.db2.gz SVCNDMLNXQXPMA-NTSWFWBYSA-N 1 2 270.293 -2.424 20 0 CAADLO C[C@@H]1[C@@H](NC(=O)CC(N)=O)CCN1C(=O)Cn1cc[nH+]c1 ZINC001282333448 780813709 /nfs/dbraw/zinc/81/37/09/780813709.db2.gz QGAPNEVOMHAFNC-ZJUUUORDSA-N 1 2 293.327 -1.136 20 0 CAADLO C[C@@H](CNC(=O)CC(N)=O)[N@H+](C)Cc1nc(=O)n(C)[nH]1 ZINC001282367800 780814945 /nfs/dbraw/zinc/81/49/45/780814945.db2.gz RKQSYJAJEHXPTN-ZETCQYMHSA-N 1 2 284.320 -2.080 20 0 CAADLO C[C@@H](CNC(=O)CC(N)=O)[N@@H+](C)Cc1nc(=O)n(C)[nH]1 ZINC001282367800 780814954 /nfs/dbraw/zinc/81/49/54/780814954.db2.gz RKQSYJAJEHXPTN-ZETCQYMHSA-N 1 2 284.320 -2.080 20 0 CAADLO CNC(=O)C1(C(=O)NC2(CCO)C[NH+](CCCO)C2)CC1 ZINC001282539711 780820845 /nfs/dbraw/zinc/82/08/45/780820845.db2.gz OHLZIGAZWZTNGI-UHFFFAOYSA-N 1 2 299.371 -1.552 20 0 CAADLO CC(C)(C(N)=O)C(=O)NC1(CCO)C[NH+](CCCO)C1 ZINC001282522416 780821721 /nfs/dbraw/zinc/82/17/21/780821721.db2.gz DOFURZJIQYMYDQ-UHFFFAOYSA-N 1 2 287.360 -1.567 20 0 CAADLO CC(C)(C(N)=O)C(=O)N[C@@H]1C[N@H+](CC(N)=O)CC1(C)C ZINC001282810781 780822749 /nfs/dbraw/zinc/82/27/49/780822749.db2.gz KJZRSQOAYWNSTD-MRVPVSSYSA-N 1 2 284.360 -1.190 20 0 CAADLO CC(C)(C(N)=O)C(=O)N[C@@H]1C[N@@H+](CC(N)=O)CC1(C)C ZINC001282810781 780822755 /nfs/dbraw/zinc/82/27/55/780822755.db2.gz KJZRSQOAYWNSTD-MRVPVSSYSA-N 1 2 284.360 -1.190 20 0 CAADLO O=C(CCc1[nH]cc[nH+]1)NCCNC(=O)Cn1cnnn1 ZINC001282906455 780828809 /nfs/dbraw/zinc/82/88/09/780828809.db2.gz YGKLUXAJMHJXNQ-UHFFFAOYSA-N 1 2 292.303 -1.739 20 0 CAADLO Cn1ncc(C(=O)NCCNC(=O)Cc2[nH]cc[nH+]2)c1N ZINC001282981353 780836748 /nfs/dbraw/zinc/83/67/48/780836748.db2.gz JGMISMFGRNUEJM-UHFFFAOYSA-N 1 2 291.315 -1.186 20 0 CAADLO Cn1cc(C(=O)NCCNC(=O)CCn2cc[nH+]c2)nn1 ZINC001282996129 780837926 /nfs/dbraw/zinc/83/79/26/780837926.db2.gz CMBLEFABVHAVQI-UHFFFAOYSA-N 1 2 291.315 -1.052 20 0 CAADLO O=C(CO[C@@H]1CCOC1)NCCNC(=O)Cc1c[nH]c[nH+]1 ZINC001283015497 780840276 /nfs/dbraw/zinc/84/02/76/780840276.db2.gz LSVJOVXVYLVOME-LLVKDONJSA-N 1 2 296.327 -1.010 20 0 CAADLO NC(=O)C(=O)NCCNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001283083840 780841212 /nfs/dbraw/zinc/84/12/12/780841212.db2.gz BWVISAVHUGBSOQ-MRVPVSSYSA-N 1 2 279.300 -1.837 20 0 CAADLO O=C(Cc1c[nH]c[nH+]1)NCCNC(=O)C[C@H]1CCNC1=O ZINC001283057666 780841403 /nfs/dbraw/zinc/84/14/03/780841403.db2.gz QGLPFYKSWLRSHY-SECBINFHSA-N 1 2 293.327 -1.289 20 0 CAADLO O=C(Cc1[nH]cc[nH+]1)NCCNC(=O)[C@@H]1CCCNC1=O ZINC001283065603 780842124 /nfs/dbraw/zinc/84/21/24/780842124.db2.gz BADVBCZVZHFAOJ-SECBINFHSA-N 1 2 293.327 -1.289 20 0 CAADLO COC[C@H](OC)C(=O)NCCNC(=O)Cc1c[nH]c[nH+]1 ZINC001283159112 780845688 /nfs/dbraw/zinc/84/56/88/780845688.db2.gz XXOZQLWHANFEPG-JTQLQIEISA-N 1 2 284.316 -1.154 20 0 CAADLO NC(=O)C(=O)N1CC[C@@H](NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001283359900 780849897 /nfs/dbraw/zinc/84/98/97/780849897.db2.gz FCZQLVULIIKYMQ-MRVPVSSYSA-N 1 2 279.300 -1.455 20 0 CAADLO NC(=O)C(=O)N1CC[C@@H](NC(=O)CCCn2cc[nH+]c2)C1 ZINC001283359714 780849993 /nfs/dbraw/zinc/84/99/93/780849993.db2.gz CEZNKEULGUAPGW-SNVBAGLBSA-N 1 2 293.327 -1.134 20 0 CAADLO CCn1cc(C[N@H+](C)CCOCCNC(=O)C(N)=O)nn1 ZINC001283407141 780851821 /nfs/dbraw/zinc/85/18/21/780851821.db2.gz IRGWXQACIATETD-UHFFFAOYSA-N 1 2 298.347 -1.652 20 0 CAADLO CCn1cc(C[N@@H+](C)CCOCCNC(=O)C(N)=O)nn1 ZINC001283407141 780851830 /nfs/dbraw/zinc/85/18/30/780851830.db2.gz IRGWXQACIATETD-UHFFFAOYSA-N 1 2 298.347 -1.652 20 0 CAADLO NC(=O)CC(=O)N[C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001283473157 780853863 /nfs/dbraw/zinc/85/38/63/780853863.db2.gz BRSNMQROBIRCKJ-VIFPVBQESA-N 1 2 293.327 -1.065 20 0 CAADLO NC(=O)C(=O)N1CCC(NC(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001283436238 780853881 /nfs/dbraw/zinc/85/38/81/780853881.db2.gz VTOSCYFYBPUMBQ-UHFFFAOYSA-N 1 2 293.327 -1.065 20 0 CAADLO CN(CCCNC(=O)CCc1c[nH]c[nH+]1)C(=O)C(N)=O ZINC001283571817 780854217 /nfs/dbraw/zinc/85/42/17/780854217.db2.gz YNRVOAWTTJKDTM-UHFFFAOYSA-N 1 2 281.316 -1.208 20 0 CAADLO CN(CCCNC(=O)CCc1c[nH+]c[nH]1)C(=O)C(N)=O ZINC001283571817 780854226 /nfs/dbraw/zinc/85/42/26/780854226.db2.gz YNRVOAWTTJKDTM-UHFFFAOYSA-N 1 2 281.316 -1.208 20 0 CAADLO CCn1nc(C)c(C[NH2+][C@@H](CO)CNC(=O)CC(N)=O)n1 ZINC001283745338 780859896 /nfs/dbraw/zinc/85/98/96/780859896.db2.gz JOBXPYPDUPJYFP-SECBINFHSA-N 1 2 298.347 -1.951 20 0 CAADLO Cn1cc(C[NH2+][C@@H](CO)CNC(=O)C(=O)C(C)(C)C)nn1 ZINC001283746683 780861337 /nfs/dbraw/zinc/86/13/37/780861337.db2.gz PCBLWRHKQPRHNX-SNVBAGLBSA-N 1 2 297.359 -1.003 20 0 CAADLO Cn1cc(C[NH2+][C@H](CO)CNC(=O)C(=O)C(C)(C)C)nn1 ZINC001283746682 780861597 /nfs/dbraw/zinc/86/15/97/780861597.db2.gz PCBLWRHKQPRHNX-JTQLQIEISA-N 1 2 297.359 -1.003 20 0 CAADLO CNC(=O)C1(C(=O)NCC[NH2+]Cc2nc(=O)n(C)[nH]2)CC1 ZINC001135259313 781353478 /nfs/dbraw/zinc/35/34/78/781353478.db2.gz ZMGYCVBBVWOZOY-UHFFFAOYSA-N 1 2 296.331 -2.160 20 0 CAADLO O=C(C[C@H]1CCC(=O)N1)NCC[NH2+]Cc1cnon1 ZINC001135220586 781354018 /nfs/dbraw/zinc/35/40/18/781354018.db2.gz ZIDZRNZMPLKGCU-MRVPVSSYSA-N 1 2 267.289 -1.056 20 0 CAADLO Cn1[nH]c(C[NH2+]CCNC(=O)C[C@@H]2CCC(=O)N2)nc1=O ZINC001135223830 781354961 /nfs/dbraw/zinc/35/49/61/781354961.db2.gz YRTGHHLLFLHUPD-QMMMGPOBSA-N 1 2 296.331 -2.017 20 0 CAADLO CNC(=O)C1(C(=O)NCC[NH2+]Cc2cnon2)CC1 ZINC001135250522 781357066 /nfs/dbraw/zinc/35/70/66/781357066.db2.gz RDFNBVOQIOEORJ-UHFFFAOYSA-N 1 2 267.289 -1.198 20 0 CAADLO Cc1nnc(C[NH2+]CCNC(=O)C2CC(=O)NC(=O)C2)o1 ZINC001135269097 781357828 /nfs/dbraw/zinc/35/78/28/781357828.db2.gz JVPQKCJWHCKSJT-UHFFFAOYSA-N 1 2 295.299 -1.363 20 0 CAADLO O=C(NCC[NH2+]Cc1ncccn1)C1CC(=O)NC(=O)C1 ZINC001135270270 781358486 /nfs/dbraw/zinc/35/84/86/781358486.db2.gz WGMIXKQBBQJRKG-UHFFFAOYSA-N 1 2 291.311 -1.265 20 0 CAADLO O=C(NCC[NH2+]Cc1cnon1)C1CC(=O)NC(=O)C1 ZINC001135270230 781358836 /nfs/dbraw/zinc/35/88/36/781358836.db2.gz VFKZMDLYHQPXRI-UHFFFAOYSA-N 1 2 281.272 -1.672 20 0 CAADLO CC(=O)NC(C)(C)C(=O)NCC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001135380876 781364843 /nfs/dbraw/zinc/36/48/43/781364843.db2.gz CNAREUWFPAPSLR-UHFFFAOYSA-N 1 2 298.347 -1.771 20 0 CAADLO C[C@H](O)C[NH2+]CCNC(=O)Cn1[nH]cc2c(=O)ncnc1-2 ZINC001135465512 781367835 /nfs/dbraw/zinc/36/78/35/781367835.db2.gz JGPPIJFLLXSXNU-QMMMGPOBSA-N 1 2 294.315 -1.842 20 0 CAADLO Cc1cnc(C[NH2+]CCNC(=O)CN2CC(=O)NC2=O)o1 ZINC001135440835 781368363 /nfs/dbraw/zinc/36/83/63/781368363.db2.gz SYOCGDKPQJTUGE-UHFFFAOYSA-N 1 2 295.299 -1.259 20 0 CAADLO Cc1nonc1C[NH2+]CCNC(=O)CN1CC(=O)NC1=O ZINC001135440289 781368571 /nfs/dbraw/zinc/36/85/71/781368571.db2.gz KCYVNMSGMFXXEZ-UHFFFAOYSA-N 1 2 296.287 -1.864 20 0 CAADLO O=C(CN1CC(=O)NC1=O)NCC[NH2+]Cc1csnn1 ZINC001135440815 781368657 /nfs/dbraw/zinc/36/86/57/781368657.db2.gz SIVJYDKLLRXJTJ-UHFFFAOYSA-N 1 2 298.328 -1.704 20 0 CAADLO C[C@@H](O)C[NH2+]CCNC(=O)Cn1[nH]cc2c(=O)ncnc1-2 ZINC001135465511 781368764 /nfs/dbraw/zinc/36/87/64/781368764.db2.gz JGPPIJFLLXSXNU-MRVPVSSYSA-N 1 2 294.315 -1.842 20 0 CAADLO NC(=O)C[NH2+]CCNC(=O)Cn1[nH]cc2c(=O)ncnc1-2 ZINC001135465912 781369377 /nfs/dbraw/zinc/36/93/77/781369377.db2.gz WLGKATREKVJZAJ-UHFFFAOYSA-N 1 2 293.287 -2.738 20 0 CAADLO Cn1ncc(C[NH2+]CCNC(=O)c2nnc[nH]2)n1 ZINC001135520602 781370095 /nfs/dbraw/zinc/37/00/95/781370095.db2.gz MTGJFALOZAJWIZ-UHFFFAOYSA-N 1 2 250.266 -1.547 20 0 CAADLO Cn1[nH]c(C[NH2+]CCNC(=O)c2nnc[nH]2)nc1=O ZINC001135521276 781370636 /nfs/dbraw/zinc/37/06/36/781370636.db2.gz YEBISGGXLOOKES-UHFFFAOYSA-N 1 2 266.265 -2.254 20 0 CAADLO Cn1ncnc1C[NH2+]CCNC(=O)c1nnc[nH]1 ZINC001135520822 781371406 /nfs/dbraw/zinc/37/14/06/781371406.db2.gz PBVWIPBJNGHXED-UHFFFAOYSA-N 1 2 250.266 -1.547 20 0 CAADLO CCn1cc(C[NH2+]CCNC(=O)c2nnc[nH]2)nn1 ZINC001135525987 781373105 /nfs/dbraw/zinc/37/31/05/781373105.db2.gz MHWZABZBZUIHAL-UHFFFAOYSA-N 1 2 264.293 -1.064 20 0 CAADLO Cc1nonc1C[NH2+]CCNC(=O)CCn1cnnn1 ZINC001135677760 781379567 /nfs/dbraw/zinc/37/95/67/781379567.db2.gz YAVJBPYFUPPCRN-UHFFFAOYSA-N 1 2 280.292 -1.339 20 0 CAADLO Cc1nnc(C[NH2+]CCNC(=O)CCn2cnnn2)o1 ZINC001135677694 781379932 /nfs/dbraw/zinc/37/99/32/781379932.db2.gz UYGDTOFVZDSRFF-UHFFFAOYSA-N 1 2 280.292 -1.339 20 0 CAADLO O=C(CCn1cnnn1)NCC[NH2+]Cc1csnn1 ZINC001135677570 781380398 /nfs/dbraw/zinc/38/03/98/781380398.db2.gz OYZHUCINLCDODE-UHFFFAOYSA-N 1 2 282.333 -1.179 20 0 CAADLO O=C(CCn1cnnn1)NCC[NH2+]Cc1cnon1 ZINC001135681888 781381222 /nfs/dbraw/zinc/38/12/22/781381222.db2.gz XOYCBHZNWIODCD-UHFFFAOYSA-N 1 2 266.265 -1.648 20 0 CAADLO C[C@H]1OCC[C@H]1C(=O)NCC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001135782108 781385659 /nfs/dbraw/zinc/38/56/59/781385659.db2.gz XLZGHFAPNWEMII-RKDXNWHRSA-N 1 2 283.332 -1.261 20 0 CAADLO C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001135782106 781385687 /nfs/dbraw/zinc/38/56/87/781385687.db2.gz XLZGHFAPNWEMII-DTWKUNHWSA-N 1 2 283.332 -1.261 20 0 CAADLO Cn1cnnc1C[NH2+]CCNC(=O)C(=O)NCC1CC1 ZINC001135905559 781386898 /nfs/dbraw/zinc/38/68/98/781386898.db2.gz APGZYUJYLSERKG-UHFFFAOYSA-N 1 2 280.332 -1.453 20 0 CAADLO Cc1nnc(C[NH2+]CCNC(=O)C(=O)NCC2CC2)[nH]1 ZINC001135906848 781387271 /nfs/dbraw/zinc/38/72/71/781387271.db2.gz GNWHNCBFVCMCIP-UHFFFAOYSA-N 1 2 280.332 -1.155 20 0 CAADLO O=C(NCC[NH2+]Cc1cnon1)C(=O)NCC1CC1 ZINC001135906838 781387743 /nfs/dbraw/zinc/38/77/43/781387743.db2.gz GDRVNHPMDMKDOV-UHFFFAOYSA-N 1 2 267.289 -1.198 20 0 CAADLO CCn1cc(C(=O)NCC[NH2+]Cc2nc(=O)n(C)[nH]2)nn1 ZINC001135994338 781392203 /nfs/dbraw/zinc/39/22/03/781392203.db2.gz PRVPZMNIAJPGQI-UHFFFAOYSA-N 1 2 294.319 -1.761 20 0 CAADLO O=C(CCn1cnccc1=O)NCC[NH2+]Cc1cnon1 ZINC001136021854 781393566 /nfs/dbraw/zinc/39/35/66/781393566.db2.gz GFWGKONBLIMYIT-UHFFFAOYSA-N 1 2 292.299 -1.078 20 0 CAADLO COC[C@H](C)CC(=O)NCC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001136113937 781394871 /nfs/dbraw/zinc/39/48/71/781394871.db2.gz XFTQMBIBFLTFQP-SECBINFHSA-N 1 2 285.348 -1.013 20 0 CAADLO C[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H](CO)NC(N)=O ZINC001136226662 781395838 /nfs/dbraw/zinc/39/58/38/781395838.db2.gz HUCIRIJVOOWTQW-HTQZYQBOSA-N 1 2 255.278 -1.583 20 0 CAADLO NC(=O)C(=O)N[C@H]1CC[N@H+](Cc2ccc(F)cn2)C[C@@H]1O ZINC001090531230 781397647 /nfs/dbraw/zinc/39/76/47/781397647.db2.gz JLBUTUKVENKLIX-QWRGUYRKSA-N 1 2 296.302 -1.243 20 0 CAADLO NC(=O)C(=O)N[C@H]1CC[N@@H+](Cc2ccc(F)cn2)C[C@@H]1O ZINC001090531230 781397657 /nfs/dbraw/zinc/39/76/57/781397657.db2.gz JLBUTUKVENKLIX-QWRGUYRKSA-N 1 2 296.302 -1.243 20 0 CAADLO NC(=O)C(=O)N[C@H]1CC[N@H+](Cc2cncc(F)c2)C[C@@H]1O ZINC001090531009 781397866 /nfs/dbraw/zinc/39/78/66/781397866.db2.gz HMANGFRXCJZXNH-QWRGUYRKSA-N 1 2 296.302 -1.243 20 0 CAADLO NC(=O)C(=O)N[C@H]1CC[N@@H+](Cc2cncc(F)c2)C[C@@H]1O ZINC001090531009 781397873 /nfs/dbraw/zinc/39/78/73/781397873.db2.gz HMANGFRXCJZXNH-QWRGUYRKSA-N 1 2 296.302 -1.243 20 0 CAADLO NC(=O)C(=O)N[C@@H]1CC[N@H+](Cc2cncc(F)c2)C[C@@H]1O ZINC001090531008 781398523 /nfs/dbraw/zinc/39/85/23/781398523.db2.gz HMANGFRXCJZXNH-MNOVXSKESA-N 1 2 296.302 -1.243 20 0 CAADLO NC(=O)C(=O)N[C@@H]1CC[N@@H+](Cc2cncc(F)c2)C[C@@H]1O ZINC001090531008 781398529 /nfs/dbraw/zinc/39/85/29/781398529.db2.gz HMANGFRXCJZXNH-MNOVXSKESA-N 1 2 296.302 -1.243 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C(N)=O)[C@H](O)C1 ZINC001090531262 781398581 /nfs/dbraw/zinc/39/85/81/781398581.db2.gz JUAJJSXNGIJZLH-RNFRBKRXSA-N 1 2 258.278 -3.231 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)C(N)=O)[C@H](O)C1 ZINC001090531262 781398592 /nfs/dbraw/zinc/39/85/92/781398592.db2.gz JUAJJSXNGIJZLH-RNFRBKRXSA-N 1 2 258.278 -3.231 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)C(N)=O)[C@@H](O)C1 ZINC001090531260 781399285 /nfs/dbraw/zinc/39/92/85/781399285.db2.gz JUAJJSXNGIJZLH-BQBZGAKWSA-N 1 2 258.278 -3.231 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)C(N)=O)[C@@H](O)C1 ZINC001090531260 781399290 /nfs/dbraw/zinc/39/92/90/781399290.db2.gz JUAJJSXNGIJZLH-BQBZGAKWSA-N 1 2 258.278 -3.231 20 0 CAADLO Cn1ccc(C[N@@H+]2CC[C@H](NC(=O)C(N)=O)[C@@H](O)C2)n1 ZINC001090531648 781399563 /nfs/dbraw/zinc/39/95/63/781399563.db2.gz MQXACHKTNGZDQM-UWVGGRQHSA-N 1 2 281.316 -2.043 20 0 CAADLO Cn1ccc(C[N@H+]2CC[C@H](NC(=O)C(N)=O)[C@@H](O)C2)n1 ZINC001090531648 781399572 /nfs/dbraw/zinc/39/95/72/781399572.db2.gz MQXACHKTNGZDQM-UWVGGRQHSA-N 1 2 281.316 -2.043 20 0 CAADLO Cc1csc(C[N@@H+]2CC[C@@H](NC(=O)C(N)=O)[C@H](O)C2)n1 ZINC001090532031 781401294 /nfs/dbraw/zinc/40/12/94/781401294.db2.gz PWVQRZBIGUWTPX-RKDXNWHRSA-N 1 2 298.368 -1.012 20 0 CAADLO Cc1csc(C[N@H+]2CC[C@@H](NC(=O)C(N)=O)[C@H](O)C2)n1 ZINC001090532031 781401299 /nfs/dbraw/zinc/40/12/99/781401299.db2.gz PWVQRZBIGUWTPX-RKDXNWHRSA-N 1 2 298.368 -1.012 20 0 CAADLO CCn1ccc(C[N@@H+]2CC[C@H](NC(=O)C(N)=O)[C@H](O)C2)n1 ZINC001090534608 781403633 /nfs/dbraw/zinc/40/36/33/781403633.db2.gz PSSMFTABTBHFOX-WDEREUQCSA-N 1 2 295.343 -1.560 20 0 CAADLO CCn1ccc(C[N@H+]2CC[C@H](NC(=O)C(N)=O)[C@H](O)C2)n1 ZINC001090534608 781403637 /nfs/dbraw/zinc/40/36/37/781403637.db2.gz PSSMFTABTBHFOX-WDEREUQCSA-N 1 2 295.343 -1.560 20 0 CAADLO Cc1cc(C[N@@H+]2CC[C@H](NC(=O)C(N)=O)[C@H](O)C2)nn1C ZINC001090534074 781403903 /nfs/dbraw/zinc/40/39/03/781403903.db2.gz LTTSUBRBQLZDLY-WDEREUQCSA-N 1 2 295.343 -1.735 20 0 CAADLO Cc1cc(C[N@H+]2CC[C@H](NC(=O)C(N)=O)[C@H](O)C2)nn1C ZINC001090534074 781403909 /nfs/dbraw/zinc/40/39/09/781403909.db2.gz LTTSUBRBQLZDLY-WDEREUQCSA-N 1 2 295.343 -1.735 20 0 CAADLO Cc1cc(C[N@@H+]2CC[C@H](NC(=O)C(N)=O)[C@@H](O)C2)nn1C ZINC001090534071 781404631 /nfs/dbraw/zinc/40/46/31/781404631.db2.gz LTTSUBRBQLZDLY-QWRGUYRKSA-N 1 2 295.343 -1.735 20 0 CAADLO Cc1cc(C[N@H+]2CC[C@H](NC(=O)C(N)=O)[C@@H](O)C2)nn1C ZINC001090534071 781404634 /nfs/dbraw/zinc/40/46/34/781404634.db2.gz LTTSUBRBQLZDLY-QWRGUYRKSA-N 1 2 295.343 -1.735 20 0 CAADLO Cc1nc(C[N@@H+]2CC[C@@H](NC(=O)C(N)=O)[C@@H](O)C2)c(C)o1 ZINC001090534990 781405194 /nfs/dbraw/zinc/40/51/94/781405194.db2.gz RMBLDISLZPZHQA-KOLCDFICSA-N 1 2 296.327 -1.172 20 0 CAADLO Cc1nc(C[N@H+]2CC[C@@H](NC(=O)C(N)=O)[C@@H](O)C2)c(C)o1 ZINC001090534990 781405200 /nfs/dbraw/zinc/40/52/00/781405200.db2.gz RMBLDISLZPZHQA-KOLCDFICSA-N 1 2 296.327 -1.172 20 0 CAADLO Cc1nocc1C(=O)N[C@H]1CC[N@H+](CC(N)=O)C[C@H]1O ZINC001090539290 781406929 /nfs/dbraw/zinc/40/69/29/781406929.db2.gz WUBUEAISXZCXSM-VHSXEESVSA-N 1 2 282.300 -1.367 20 0 CAADLO Cc1nocc1C(=O)N[C@H]1CC[N@@H+](CC(N)=O)C[C@H]1O ZINC001090539290 781406939 /nfs/dbraw/zinc/40/69/39/781406939.db2.gz WUBUEAISXZCXSM-VHSXEESVSA-N 1 2 282.300 -1.367 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2conc2C)[C@@H](O)C1 ZINC001090536504 781407554 /nfs/dbraw/zinc/40/75/54/781407554.db2.gz FGKLPFPNXXSYGZ-QWRGUYRKSA-N 1 2 296.327 -1.106 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)c2conc2C)[C@@H](O)C1 ZINC001090536504 781407560 /nfs/dbraw/zinc/40/75/60/781407560.db2.gz FGKLPFPNXXSYGZ-QWRGUYRKSA-N 1 2 296.327 -1.106 20 0 CAADLO Cc1nocc1C(=O)N[C@@H]1CC[N@H+](CC(N)=O)C[C@H]1O ZINC001090539288 781407621 /nfs/dbraw/zinc/40/76/21/781407621.db2.gz WUBUEAISXZCXSM-NXEZZACHSA-N 1 2 282.300 -1.367 20 0 CAADLO Cc1nocc1C(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C[C@H]1O ZINC001090539288 781407630 /nfs/dbraw/zinc/40/76/30/781407630.db2.gz WUBUEAISXZCXSM-NXEZZACHSA-N 1 2 282.300 -1.367 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2n[nH]cc2F)[C@H](O)C1 ZINC001090553008 781408938 /nfs/dbraw/zinc/40/89/38/781408938.db2.gz ISAPBDPAPRGTQR-RKDXNWHRSA-N 1 2 299.306 -1.540 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2n[nH]cc2F)[C@H](O)C1 ZINC001090553008 781408944 /nfs/dbraw/zinc/40/89/44/781408944.db2.gz ISAPBDPAPRGTQR-RKDXNWHRSA-N 1 2 299.306 -1.540 20 0 CAADLO CCc1ncoc1C(=O)N[C@@H]1CC[N@H+](CC(N)=O)C[C@@H]1O ZINC001090563278 781409030 /nfs/dbraw/zinc/40/90/30/781409030.db2.gz NWDWTSHUCGDRGS-ZJUUUORDSA-N 1 2 296.327 -1.113 20 0 CAADLO CCc1ncoc1C(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C[C@@H]1O ZINC001090563278 781409037 /nfs/dbraw/zinc/40/90/37/781409037.db2.gz NWDWTSHUCGDRGS-ZJUUUORDSA-N 1 2 296.327 -1.113 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)c2n[nH]cc2F)[C@H](O)C1 ZINC001090553821 781409363 /nfs/dbraw/zinc/40/93/63/781409363.db2.gz RWDCEYAYPWODEF-JGVFFNPUSA-N 1 2 285.279 -1.801 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)c2n[nH]cc2F)[C@H](O)C1 ZINC001090553821 781409372 /nfs/dbraw/zinc/40/93/72/781409372.db2.gz RWDCEYAYPWODEF-JGVFFNPUSA-N 1 2 285.279 -1.801 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)CC2=CCOCC2)[C@H](O)C1 ZINC001090545286 781409435 /nfs/dbraw/zinc/40/94/35/781409435.db2.gz ZYPKNMKTRKBDLW-VXGBXAGGSA-N 1 2 297.355 -1.240 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)CC2=CCOCC2)[C@H](O)C1 ZINC001090545286 781409444 /nfs/dbraw/zinc/40/94/44/781409444.db2.gz ZYPKNMKTRKBDLW-VXGBXAGGSA-N 1 2 297.355 -1.240 20 0 CAADLO CCc1ncoc1C(=O)N[C@H]1CC[N@H+](CC(N)=O)C[C@H]1O ZINC001090563277 781409776 /nfs/dbraw/zinc/40/97/76/781409776.db2.gz NWDWTSHUCGDRGS-VHSXEESVSA-N 1 2 296.327 -1.113 20 0 CAADLO CCc1ncoc1C(=O)N[C@H]1CC[N@@H+](CC(N)=O)C[C@H]1O ZINC001090563277 781409780 /nfs/dbraw/zinc/40/97/80/781409780.db2.gz NWDWTSHUCGDRGS-VHSXEESVSA-N 1 2 296.327 -1.113 20 0 CAADLO Cc1c(C(=O)N[C@H]2CC[N@H+](CC(N)=O)C[C@H]2O)ccn1C ZINC001090555660 781409822 /nfs/dbraw/zinc/40/98/22/781409822.db2.gz NPTUYSKRAMKKMB-NWDGAFQWSA-N 1 2 294.355 -1.016 20 0 CAADLO Cc1c(C(=O)N[C@H]2CC[N@@H+](CC(N)=O)C[C@H]2O)ccn1C ZINC001090555660 781409828 /nfs/dbraw/zinc/40/98/28/781409828.db2.gz NPTUYSKRAMKKMB-NWDGAFQWSA-N 1 2 294.355 -1.016 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2n[nH]cc2F)[C@H](O)C1 ZINC001090553006 781410006 /nfs/dbraw/zinc/41/00/06/781410006.db2.gz ISAPBDPAPRGTQR-DTWKUNHWSA-N 1 2 299.306 -1.540 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)c2n[nH]cc2F)[C@H](O)C1 ZINC001090553006 781410010 /nfs/dbraw/zinc/41/00/10/781410010.db2.gz ISAPBDPAPRGTQR-DTWKUNHWSA-N 1 2 299.306 -1.540 20 0 CAADLO Cn1cc(C(=O)N[C@@H]2CC[N@H+](CC(N)=O)C[C@H]2O)[nH]c1=O ZINC001090553615 781410040 /nfs/dbraw/zinc/41/00/40/781410040.db2.gz PBVOTQNYYBSYQU-VXNVDRBHSA-N 1 2 297.315 -2.224 20 0 CAADLO Cn1cc(C(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C[C@H]2O)[nH]c1=O ZINC001090553615 781410046 /nfs/dbraw/zinc/41/00/46/781410046.db2.gz PBVOTQNYYBSYQU-VXNVDRBHSA-N 1 2 297.315 -2.224 20 0 CAADLO Cc1c(C(=O)N[C@@H]2CC[N@H+](CC(N)=O)C[C@H]2O)ccn1C ZINC001090555662 781410263 /nfs/dbraw/zinc/41/02/63/781410263.db2.gz NPTUYSKRAMKKMB-VXGBXAGGSA-N 1 2 294.355 -1.016 20 0 CAADLO Cc1c(C(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C[C@H]2O)ccn1C ZINC001090555662 781410270 /nfs/dbraw/zinc/41/02/70/781410270.db2.gz NPTUYSKRAMKKMB-VXGBXAGGSA-N 1 2 294.355 -1.016 20 0 CAADLO CCc1ncoc1C(=O)N[C@@H]1CC[N@H+](CC(N)=O)C[C@H]1O ZINC001090563275 781410310 /nfs/dbraw/zinc/41/03/10/781410310.db2.gz NWDWTSHUCGDRGS-NXEZZACHSA-N 1 2 296.327 -1.113 20 0 CAADLO CCc1ncoc1C(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C[C@H]1O ZINC001090563275 781410316 /nfs/dbraw/zinc/41/03/16/781410316.db2.gz NWDWTSHUCGDRGS-NXEZZACHSA-N 1 2 296.327 -1.113 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)c2ccnnc2)[C@H](O)C1 ZINC001090589755 781410857 /nfs/dbraw/zinc/41/08/57/781410857.db2.gz OTKBUOOPUDUIGY-VHSXEESVSA-N 1 2 279.300 -1.873 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)c2ccnnc2)[C@H](O)C1 ZINC001090589755 781410860 /nfs/dbraw/zinc/41/08/60/781410860.db2.gz OTKBUOOPUDUIGY-VHSXEESVSA-N 1 2 279.300 -1.873 20 0 CAADLO COC(=O)[C@@H]1C[C@@H]([NH2+][C@@H]2C=CS(=O)(=O)C2)CN1 ZINC001246174830 781411047 /nfs/dbraw/zinc/41/10/47/781411047.db2.gz JRKUAANZUUZWHV-HLTSFMKQSA-N 1 2 260.315 -1.210 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ccnnc2)[C@@H](O)C1 ZINC001090589756 781411154 /nfs/dbraw/zinc/41/11/54/781411154.db2.gz OTKBUOOPUDUIGY-ZJUUUORDSA-N 1 2 279.300 -1.873 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)c2ccnnc2)[C@@H](O)C1 ZINC001090589756 781411161 /nfs/dbraw/zinc/41/11/61/781411161.db2.gz OTKBUOOPUDUIGY-ZJUUUORDSA-N 1 2 279.300 -1.873 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cc2c[nH]cn2)[C@@H](O)C1 ZINC001090594950 781411418 /nfs/dbraw/zinc/41/14/18/781411418.db2.gz MKUSSGKNFRJXMT-MNOVXSKESA-N 1 2 295.343 -1.750 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)Cc2c[nH]cn2)[C@@H](O)C1 ZINC001090594950 781411424 /nfs/dbraw/zinc/41/14/24/781411424.db2.gz MKUSSGKNFRJXMT-MNOVXSKESA-N 1 2 295.343 -1.750 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2ccnnc2)[C@@H](O)C1 ZINC001090590203 781411565 /nfs/dbraw/zinc/41/15/65/781411565.db2.gz RHFVZHOOKYWAPN-QWRGUYRKSA-N 1 2 293.327 -1.612 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)c2ccnnc2)[C@@H](O)C1 ZINC001090590203 781411572 /nfs/dbraw/zinc/41/15/72/781411572.db2.gz RHFVZHOOKYWAPN-QWRGUYRKSA-N 1 2 293.327 -1.612 20 0 CAADLO Cc1ccn(CC(=O)N[C@@H]2CC[N@H+](CC(N)=O)C[C@@H]2O)n1 ZINC001090579410 781411782 /nfs/dbraw/zinc/41/17/82/781411782.db2.gz FKQUMEADLIEQJK-MNOVXSKESA-N 1 2 295.343 -1.772 20 0 CAADLO Cc1ccn(CC(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C[C@@H]2O)n1 ZINC001090579410 781411785 /nfs/dbraw/zinc/41/17/85/781411785.db2.gz FKQUMEADLIEQJK-MNOVXSKESA-N 1 2 295.343 -1.772 20 0 CAADLO COC(=O)[C@@H]1C[C@@H]([NH2+][C@H]2C=CS(=O)(=O)C2)CN1 ZINC001246174836 781412003 /nfs/dbraw/zinc/41/20/03/781412003.db2.gz JRKUAANZUUZWHV-YIZRAAEISA-N 1 2 260.315 -1.210 20 0 CAADLO Cc1nc(C)c(C(=O)N[C@@H]2CC[N@H+](CC(N)=O)C[C@H]2O)[nH]1 ZINC001090578015 781412106 /nfs/dbraw/zinc/41/21/06/781412106.db2.gz VDOBNWFVXOXQHY-NXEZZACHSA-N 1 2 295.343 -1.323 20 0 CAADLO Cc1nc(C)c(C(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C[C@H]2O)[nH]1 ZINC001090578015 781412109 /nfs/dbraw/zinc/41/21/09/781412109.db2.gz VDOBNWFVXOXQHY-NXEZZACHSA-N 1 2 295.343 -1.323 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ccnnc2)[C@H](O)C1 ZINC001090589753 781412336 /nfs/dbraw/zinc/41/23/36/781412336.db2.gz OTKBUOOPUDUIGY-NXEZZACHSA-N 1 2 279.300 -1.873 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)c2ccnnc2)[C@H](O)C1 ZINC001090589753 781412340 /nfs/dbraw/zinc/41/23/40/781412340.db2.gz OTKBUOOPUDUIGY-NXEZZACHSA-N 1 2 279.300 -1.873 20 0 CAADLO COC(=O)[C@@H]1C[C@H]([NH2+][C@H]2C=CS(=O)(=O)C2)CN1 ZINC001246174820 781412348 /nfs/dbraw/zinc/41/23/48/781412348.db2.gz JRKUAANZUUZWHV-CIUDSAMLSA-N 1 2 260.315 -1.210 20 0 CAADLO Cc1nc(C)c(C(=O)N[C@@H]2CC[N@H+](CC(N)=O)C[C@@H]2O)[nH]1 ZINC001090578018 781412391 /nfs/dbraw/zinc/41/23/91/781412391.db2.gz VDOBNWFVXOXQHY-ZJUUUORDSA-N 1 2 295.343 -1.323 20 0 CAADLO Cc1nc(C)c(C(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C[C@@H]2O)[nH]1 ZINC001090578018 781412394 /nfs/dbraw/zinc/41/23/94/781412394.db2.gz VDOBNWFVXOXQHY-ZJUUUORDSA-N 1 2 295.343 -1.323 20 0 CAADLO Cc1ccnn1CC(=O)N[C@@H]1CC[N@H+](CC(N)=O)C[C@H]1O ZINC001090612425 781413688 /nfs/dbraw/zinc/41/36/88/781413688.db2.gz MYYHQLGQKNQQSR-GHMZBOCLSA-N 1 2 295.343 -1.772 20 0 CAADLO Cc1ccnn1CC(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C[C@H]1O ZINC001090612425 781413692 /nfs/dbraw/zinc/41/36/92/781413692.db2.gz MYYHQLGQKNQQSR-GHMZBOCLSA-N 1 2 295.343 -1.772 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2nc(C)c[nH]2)[C@H](O)C1 ZINC001090629785 781414984 /nfs/dbraw/zinc/41/49/84/781414984.db2.gz JEGCFDFLFVWCTA-VHSXEESVSA-N 1 2 295.343 -1.371 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)c2nc(C)c[nH]2)[C@H](O)C1 ZINC001090629785 781414990 /nfs/dbraw/zinc/41/49/90/781414990.db2.gz JEGCFDFLFVWCTA-VHSXEESVSA-N 1 2 295.343 -1.371 20 0 CAADLO Cn1ncc(C(=O)N[C@H]2CC[N@H+](CC(N)=O)C[C@@H]2O)n1 ZINC001090643196 781415007 /nfs/dbraw/zinc/41/50/07/781415007.db2.gz FDLMUOSAMQERPH-CBAPKCEASA-N 1 2 282.304 -2.535 20 0 CAADLO Cn1ncc(C(=O)N[C@H]2CC[N@@H+](CC(N)=O)C[C@@H]2O)n1 ZINC001090643196 781415010 /nfs/dbraw/zinc/41/50/10/781415010.db2.gz FDLMUOSAMQERPH-CBAPKCEASA-N 1 2 282.304 -2.535 20 0 CAADLO Cn1ncc(C(=O)N[C@@H]2CC[N@H+](CC(N)=O)C[C@H]2O)n1 ZINC001090643201 781415243 /nfs/dbraw/zinc/41/52/43/781415243.db2.gz FDLMUOSAMQERPH-VXNVDRBHSA-N 1 2 282.304 -2.535 20 0 CAADLO Cn1ncc(C(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C[C@H]2O)n1 ZINC001090643201 781415246 /nfs/dbraw/zinc/41/52/46/781415246.db2.gz FDLMUOSAMQERPH-VXNVDRBHSA-N 1 2 282.304 -2.535 20 0 CAADLO Cc1c[nH]c(C(=O)N[C@@H]2CC[N@H+](CC(N)=O)C[C@@H]2O)n1 ZINC001090632132 781415450 /nfs/dbraw/zinc/41/54/50/781415450.db2.gz CZVXQKHRPXYEIM-BDAKNGLRSA-N 1 2 281.316 -1.632 20 0 CAADLO Cc1c[nH]c(C(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C[C@@H]2O)n1 ZINC001090632132 781415456 /nfs/dbraw/zinc/41/54/56/781415456.db2.gz CZVXQKHRPXYEIM-BDAKNGLRSA-N 1 2 281.316 -1.632 20 0 CAADLO Cn1ncc(C(=O)N[C@@H]2CC[N@H+](CCF)C[C@@H]2O)n1 ZINC001090644527 781416260 /nfs/dbraw/zinc/41/62/60/781416260.db2.gz NNGZXOLEDJUCNR-SCZZXKLOSA-N 1 2 271.296 -1.050 20 0 CAADLO Cn1ncc(C(=O)N[C@@H]2CC[N@@H+](CCF)C[C@@H]2O)n1 ZINC001090644527 781416264 /nfs/dbraw/zinc/41/62/64/781416264.db2.gz NNGZXOLEDJUCNR-SCZZXKLOSA-N 1 2 271.296 -1.050 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCC(=O)O2)C1 ZINC001136672615 781416295 /nfs/dbraw/zinc/41/62/95/781416295.db2.gz SKBLILISYYMAOU-DTWKUNHWSA-N 1 2 269.301 -1.242 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@H](NC(=O)[C@H]2CCC(=O)O2)C1 ZINC001136672615 781416300 /nfs/dbraw/zinc/41/63/00/781416300.db2.gz SKBLILISYYMAOU-DTWKUNHWSA-N 1 2 269.301 -1.242 20 0 CAADLO Cc1n[nH]c(C)c1C(=O)N[C@H]1CC[N@H+](CC(N)=O)C[C@@H]1O ZINC001090647355 781416751 /nfs/dbraw/zinc/41/67/51/781416751.db2.gz OPPMLRAUVOSTPD-UWVGGRQHSA-N 1 2 295.343 -1.323 20 0 CAADLO Cc1n[nH]c(C)c1C(=O)N[C@H]1CC[N@@H+](CC(N)=O)C[C@@H]1O ZINC001090647355 781416753 /nfs/dbraw/zinc/41/67/53/781416753.db2.gz OPPMLRAUVOSTPD-UWVGGRQHSA-N 1 2 295.343 -1.323 20 0 CAADLO CC1(C(=O)N[C@H]2CC[N@H+](CC(N)=O)C[C@H]2O)CCOCC1 ZINC001090653413 781416877 /nfs/dbraw/zinc/41/68/77/781416877.db2.gz ZLGVFSVRKMJPBJ-WDEREUQCSA-N 1 2 299.371 -1.160 20 0 CAADLO CC1(C(=O)N[C@H]2CC[N@@H+](CC(N)=O)C[C@H]2O)CCOCC1 ZINC001090653413 781416880 /nfs/dbraw/zinc/41/68/80/781416880.db2.gz ZLGVFSVRKMJPBJ-WDEREUQCSA-N 1 2 299.371 -1.160 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2ccncn2)[C@H](O)C1 ZINC001090649525 781416949 /nfs/dbraw/zinc/41/69/49/781416949.db2.gz FIWUQROEUYBCQZ-GXSJLCMTSA-N 1 2 293.327 -1.612 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)c2ccncn2)[C@H](O)C1 ZINC001090649525 781416952 /nfs/dbraw/zinc/41/69/52/781416952.db2.gz FIWUQROEUYBCQZ-GXSJLCMTSA-N 1 2 293.327 -1.612 20 0 CAADLO COCC[N@@H+]1CC[C@H](NC(=O)c2nc[nH]n2)[C@@H](O)C1 ZINC001090657876 781418582 /nfs/dbraw/zinc/41/85/82/781418582.db2.gz JSRXCFHZWMZETG-IUCAKERBSA-N 1 2 269.305 -1.384 20 0 CAADLO COCC[N@H+]1CC[C@H](NC(=O)c2nc[nH]n2)[C@@H](O)C1 ZINC001090657876 781418589 /nfs/dbraw/zinc/41/85/89/781418589.db2.gz JSRXCFHZWMZETG-IUCAKERBSA-N 1 2 269.305 -1.384 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ccncn2)[C@@H](O)C1 ZINC001090663807 781418824 /nfs/dbraw/zinc/41/88/24/781418824.db2.gz NUAMEAPOKRMJFS-SCZZXKLOSA-N 1 2 279.300 -1.873 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)c2ccncn2)[C@@H](O)C1 ZINC001090663807 781418830 /nfs/dbraw/zinc/41/88/30/781418830.db2.gz NUAMEAPOKRMJFS-SCZZXKLOSA-N 1 2 279.300 -1.873 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)c2ccncn2)[C@@H](O)C1 ZINC001090663809 781418907 /nfs/dbraw/zinc/41/89/07/781418907.db2.gz NUAMEAPOKRMJFS-WPRPVWTQSA-N 1 2 279.300 -1.873 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)c2ccncn2)[C@@H](O)C1 ZINC001090663809 781418912 /nfs/dbraw/zinc/41/89/12/781418912.db2.gz NUAMEAPOKRMJFS-WPRPVWTQSA-N 1 2 279.300 -1.873 20 0 CAADLO CN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cnon2)[C@H](O)C1 ZINC001090660144 781418929 /nfs/dbraw/zinc/41/89/29/781418929.db2.gz OJCMLOPDTSHTGQ-PSASIEDQSA-N 1 2 297.315 -1.677 20 0 CAADLO CN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)c2cnon2)[C@H](O)C1 ZINC001090660144 781418937 /nfs/dbraw/zinc/41/89/37/781418937.db2.gz OJCMLOPDTSHTGQ-PSASIEDQSA-N 1 2 297.315 -1.677 20 0 CAADLO O=C(N[C@@H]1CC[N@@H+](CCO)C[C@@H]1O)c1nc[nH]n1 ZINC001090657413 781419040 /nfs/dbraw/zinc/41/90/40/781419040.db2.gz AGFZMKHAXCXKEP-SFYZADRCSA-N 1 2 255.278 -2.038 20 0 CAADLO O=C(N[C@@H]1CC[N@H+](CCO)C[C@@H]1O)c1nc[nH]n1 ZINC001090657413 781419045 /nfs/dbraw/zinc/41/90/45/781419045.db2.gz AGFZMKHAXCXKEP-SFYZADRCSA-N 1 2 255.278 -2.038 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cnon2)[C@@H](O)C1 ZINC001090659824 781419131 /nfs/dbraw/zinc/41/91/31/781419131.db2.gz LSRCKHCARZEHGH-CBAPKCEASA-N 1 2 283.288 -2.019 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cnon2)[C@@H](O)C1 ZINC001090659824 781419133 /nfs/dbraw/zinc/41/91/33/781419133.db2.gz LSRCKHCARZEHGH-CBAPKCEASA-N 1 2 283.288 -2.019 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ccncn2)[C@H](O)C1 ZINC001090663806 781419209 /nfs/dbraw/zinc/41/92/09/781419209.db2.gz NUAMEAPOKRMJFS-PSASIEDQSA-N 1 2 279.300 -1.873 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)c2ccncn2)[C@H](O)C1 ZINC001090663806 781419210 /nfs/dbraw/zinc/41/92/10/781419210.db2.gz NUAMEAPOKRMJFS-PSASIEDQSA-N 1 2 279.300 -1.873 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cnon2)[C@@H](O)C1 ZINC001090660443 781419292 /nfs/dbraw/zinc/41/92/92/781419292.db2.gz RRKOMQGHETWPNN-XPUUQOCRSA-N 1 2 269.261 -2.280 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)c2cnon2)[C@@H](O)C1 ZINC001090660443 781419294 /nfs/dbraw/zinc/41/92/94/781419294.db2.gz RRKOMQGHETWPNN-XPUUQOCRSA-N 1 2 269.261 -2.280 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cnon2)[C@H](O)C1 ZINC001090659825 781419316 /nfs/dbraw/zinc/41/93/16/781419316.db2.gz LSRCKHCARZEHGH-IONNQARKSA-N 1 2 283.288 -2.019 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cnon2)[C@H](O)C1 ZINC001090659825 781419317 /nfs/dbraw/zinc/41/93/17/781419317.db2.gz LSRCKHCARZEHGH-IONNQARKSA-N 1 2 283.288 -2.019 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cc2ncc[nH]2)[C@H](O)C1 ZINC001090673864 781420077 /nfs/dbraw/zinc/42/00/77/781420077.db2.gz NBOUFEMZFFCCNN-NXEZZACHSA-N 1 2 295.343 -1.750 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)Cc2ncc[nH]2)[C@H](O)C1 ZINC001090673864 781420086 /nfs/dbraw/zinc/42/00/86/781420086.db2.gz NBOUFEMZFFCCNN-NXEZZACHSA-N 1 2 295.343 -1.750 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cccnn2)[C@H](O)C1 ZINC001090667854 781420131 /nfs/dbraw/zinc/42/01/31/781420131.db2.gz PAKZOLSEXAAICI-MWLCHTKSSA-N 1 2 293.327 -1.612 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cccnn2)[C@H](O)C1 ZINC001090667854 781420137 /nfs/dbraw/zinc/42/01/37/781420137.db2.gz PAKZOLSEXAAICI-MWLCHTKSSA-N 1 2 293.327 -1.612 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cc2ncc[nH]2)[C@H](O)C1 ZINC001090675880 781420193 /nfs/dbraw/zinc/42/01/93/781420193.db2.gz LCZQDPRIKZYOCE-RKDXNWHRSA-N 1 2 281.316 -2.011 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)Cc2ncc[nH]2)[C@H](O)C1 ZINC001090675880 781420201 /nfs/dbraw/zinc/42/02/01/781420201.db2.gz LCZQDPRIKZYOCE-RKDXNWHRSA-N 1 2 281.316 -2.011 20 0 CAADLO COc1ccc(C(=O)N[C@@H]2CC[N@H+](CC(N)=O)C[C@@H]2O)o1 ZINC001090673255 781420254 /nfs/dbraw/zinc/42/02/54/781420254.db2.gz KAGNUVMKENAVBL-BDAKNGLRSA-N 1 2 297.311 -1.062 20 0 CAADLO COc1ccc(C(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C[C@@H]2O)o1 ZINC001090673255 781420257 /nfs/dbraw/zinc/42/02/57/781420257.db2.gz KAGNUVMKENAVBL-BDAKNGLRSA-N 1 2 297.311 -1.062 20 0 CAADLO Cc1nc(C(=O)N[C@@H]2CC[N@H+](CC(N)=O)C[C@@H]2O)c(C)o1 ZINC001090676962 781420524 /nfs/dbraw/zinc/42/05/24/781420524.db2.gz WIUYKQLRHQRIHU-ZJUUUORDSA-N 1 2 296.327 -1.058 20 0 CAADLO Cc1nc(C(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C[C@@H]2O)c(C)o1 ZINC001090676962 781420527 /nfs/dbraw/zinc/42/05/27/781420527.db2.gz WIUYKQLRHQRIHU-ZJUUUORDSA-N 1 2 296.327 -1.058 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cccnn2)[C@@H](O)C1 ZINC001090667855 781420569 /nfs/dbraw/zinc/42/05/69/781420569.db2.gz PAKZOLSEXAAICI-ONGXEEELSA-N 1 2 293.327 -1.612 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cccnn2)[C@@H](O)C1 ZINC001090667855 781420574 /nfs/dbraw/zinc/42/05/74/781420574.db2.gz PAKZOLSEXAAICI-ONGXEEELSA-N 1 2 293.327 -1.612 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cccnn2)[C@@H](O)C1 ZINC001090667997 781420610 /nfs/dbraw/zinc/42/06/10/781420610.db2.gz QPUNZCBEOFXIMV-WPRPVWTQSA-N 1 2 279.300 -1.873 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)c2cccnn2)[C@@H](O)C1 ZINC001090667997 781420613 /nfs/dbraw/zinc/42/06/13/781420613.db2.gz QPUNZCBEOFXIMV-WPRPVWTQSA-N 1 2 279.300 -1.873 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)Cc2ccco2)[C@H](O)C1 ZINC001090664805 781420784 /nfs/dbraw/zinc/42/07/84/781420784.db2.gz MLUJKOMGHLXHEA-WDEREUQCSA-N 1 2 281.312 -1.141 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)Cc2ccco2)[C@H](O)C1 ZINC001090664805 781420789 /nfs/dbraw/zinc/42/07/89/781420789.db2.gz MLUJKOMGHLXHEA-WDEREUQCSA-N 1 2 281.312 -1.141 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cc2ccco2)[C@H](O)C1 ZINC001090664802 781420807 /nfs/dbraw/zinc/42/08/07/781420807.db2.gz MLUJKOMGHLXHEA-GHMZBOCLSA-N 1 2 281.312 -1.141 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)Cc2ccco2)[C@H](O)C1 ZINC001090664802 781420812 /nfs/dbraw/zinc/42/08/12/781420812.db2.gz MLUJKOMGHLXHEA-GHMZBOCLSA-N 1 2 281.312 -1.141 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)c2ncccc2F)[C@@H](O)C1 ZINC001090676320 781420938 /nfs/dbraw/zinc/42/09/38/781420938.db2.gz NKWDJPBLKIBOSA-UWVGGRQHSA-N 1 2 296.302 -1.129 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)c2ncccc2F)[C@@H](O)C1 ZINC001090676320 781420945 /nfs/dbraw/zinc/42/09/45/781420945.db2.gz NKWDJPBLKIBOSA-UWVGGRQHSA-N 1 2 296.302 -1.129 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2oncc2C)[C@@H](O)C1 ZINC001090690900 781421663 /nfs/dbraw/zinc/42/16/63/781421663.db2.gz VLPDRYJGHNHERV-ZJUUUORDSA-N 1 2 296.327 -1.106 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2oncc2C)[C@@H](O)C1 ZINC001090690900 781421668 /nfs/dbraw/zinc/42/16/68/781421668.db2.gz VLPDRYJGHNHERV-ZJUUUORDSA-N 1 2 296.327 -1.106 20 0 CAADLO Cc1nonc1CC(=O)N[C@@H]1CC[N@H+](CC(N)=O)C[C@H]1O ZINC001090690603 781421923 /nfs/dbraw/zinc/42/19/23/781421923.db2.gz RLZILNRWIPIMFT-PSASIEDQSA-N 1 2 297.315 -2.043 20 0 CAADLO Cc1nonc1CC(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C[C@H]1O ZINC001090690603 781421927 /nfs/dbraw/zinc/42/19/27/781421927.db2.gz RLZILNRWIPIMFT-PSASIEDQSA-N 1 2 297.315 -2.043 20 0 CAADLO Cc1cnoc1C(=O)N[C@H]1CC[N@H+](CC(N)=O)C[C@H]1O ZINC001090691203 781421969 /nfs/dbraw/zinc/42/19/69/781421969.db2.gz AHAAFUUMDVCIFN-DTWKUNHWSA-N 1 2 282.300 -1.367 20 0 CAADLO Cc1cnoc1C(=O)N[C@H]1CC[N@@H+](CC(N)=O)C[C@H]1O ZINC001090691203 781421971 /nfs/dbraw/zinc/42/19/71/781421971.db2.gz AHAAFUUMDVCIFN-DTWKUNHWSA-N 1 2 282.300 -1.367 20 0 CAADLO Cc1cnoc1C(=O)N[C@@H]1CC[N@H+](CC(N)=O)C[C@@H]1O ZINC001090691202 781422061 /nfs/dbraw/zinc/42/20/61/781422061.db2.gz AHAAFUUMDVCIFN-BDAKNGLRSA-N 1 2 282.300 -1.367 20 0 CAADLO Cc1cnoc1C(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C[C@@H]1O ZINC001090691202 781422066 /nfs/dbraw/zinc/42/20/66/781422066.db2.gz AHAAFUUMDVCIFN-BDAKNGLRSA-N 1 2 282.300 -1.367 20 0 CAADLO Cc1nonc1CC(=O)N[C@H]1CC[N@H+](CC(N)=O)C[C@H]1O ZINC001090690605 781422382 /nfs/dbraw/zinc/42/23/82/781422382.db2.gz RLZILNRWIPIMFT-WCBMZHEXSA-N 1 2 297.315 -2.043 20 0 CAADLO Cc1nonc1CC(=O)N[C@H]1CC[N@@H+](CC(N)=O)C[C@H]1O ZINC001090690605 781422387 /nfs/dbraw/zinc/42/23/87/781422387.db2.gz RLZILNRWIPIMFT-WCBMZHEXSA-N 1 2 297.315 -2.043 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2oncc2C)[C@H](O)C1 ZINC001090690899 781422727 /nfs/dbraw/zinc/42/27/27/781422727.db2.gz VLPDRYJGHNHERV-VHSXEESVSA-N 1 2 296.327 -1.106 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)c2oncc2C)[C@H](O)C1 ZINC001090690899 781422734 /nfs/dbraw/zinc/42/27/34/781422734.db2.gz VLPDRYJGHNHERV-VHSXEESVSA-N 1 2 296.327 -1.106 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)Cc2nc[nH]n2)[C@@H](O)C1 ZINC001090708626 781423440 /nfs/dbraw/zinc/42/34/40/781423440.db2.gz WAOFLBUDQHZEKI-YUMQZZPRSA-N 1 2 282.304 -2.616 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)Cc2nc[nH]n2)[C@@H](O)C1 ZINC001090708626 781423447 /nfs/dbraw/zinc/42/34/47/781423447.db2.gz WAOFLBUDQHZEKI-YUMQZZPRSA-N 1 2 282.304 -2.616 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cc2nc[nH]n2)[C@@H](O)C1 ZINC001090708625 781425069 /nfs/dbraw/zinc/42/50/69/781425069.db2.gz WAOFLBUDQHZEKI-SFYZADRCSA-N 1 2 282.304 -2.616 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)Cc2nc[nH]n2)[C@@H](O)C1 ZINC001090708625 781425078 /nfs/dbraw/zinc/42/50/78/781425078.db2.gz WAOFLBUDQHZEKI-SFYZADRCSA-N 1 2 282.304 -2.616 20 0 CAADLO Cn1cncc1CC(=O)N[C@H]1CC[N@H+](CC(N)=O)C[C@H]1O ZINC001090727083 781426572 /nfs/dbraw/zinc/42/65/72/781426572.db2.gz GZEVJPFHOPHGMF-WDEREUQCSA-N 1 2 295.343 -2.001 20 0 CAADLO Cn1cncc1CC(=O)N[C@H]1CC[N@@H+](CC(N)=O)C[C@H]1O ZINC001090727083 781426577 /nfs/dbraw/zinc/42/65/77/781426577.db2.gz GZEVJPFHOPHGMF-WDEREUQCSA-N 1 2 295.343 -2.001 20 0 CAADLO CCn1cnc(C(=O)N[C@@H]2CC[N@H+](CC(N)=O)C[C@H]2O)c1 ZINC001090734579 781427262 /nfs/dbraw/zinc/42/72/62/781427262.db2.gz NLEUHTKCVAEONZ-MWLCHTKSSA-N 1 2 295.343 -1.447 20 0 CAADLO CCn1cnc(C(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C[C@H]2O)c1 ZINC001090734579 781427265 /nfs/dbraw/zinc/42/72/65/781427265.db2.gz NLEUHTKCVAEONZ-MWLCHTKSSA-N 1 2 295.343 -1.447 20 0 CAADLO CCc1cc(C(=O)N[C@@H]2CC[N@H+](CC(N)=O)C[C@@H]2O)no1 ZINC001090739147 781427279 /nfs/dbraw/zinc/42/72/79/781427279.db2.gz GBYYXICTHGRHIC-KOLCDFICSA-N 1 2 296.327 -1.113 20 0 CAADLO CCc1cc(C(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C[C@@H]2O)no1 ZINC001090739147 781427283 /nfs/dbraw/zinc/42/72/83/781427283.db2.gz GBYYXICTHGRHIC-KOLCDFICSA-N 1 2 296.327 -1.113 20 0 CAADLO CCc1nc[nH]c1C(=O)N[C@H]1CC[N@H+](CC(N)=O)C[C@H]1O ZINC001090764142 781429091 /nfs/dbraw/zinc/42/90/91/781429091.db2.gz BVENKYCWGWVMCS-VHSXEESVSA-N 1 2 295.343 -1.378 20 0 CAADLO CCc1nc[nH]c1C(=O)N[C@H]1CC[N@@H+](CC(N)=O)C[C@H]1O ZINC001090764142 781429097 /nfs/dbraw/zinc/42/90/97/781429097.db2.gz BVENKYCWGWVMCS-VHSXEESVSA-N 1 2 295.343 -1.378 20 0 CAADLO C[C@H](NC(=O)[C@H]1C[C@H]1C(N)=O)[C@H]1CN(C)CC[N@@H+]1C ZINC001136874770 781429133 /nfs/dbraw/zinc/42/91/33/781429133.db2.gz SKUNLVJUGNAVRI-ZRUFSTJUSA-N 1 2 268.361 -1.142 20 0 CAADLO C[C@H](NC(=O)[C@H]1C[C@H]1C(N)=O)[C@H]1CN(C)CC[N@H+]1C ZINC001136874770 781429139 /nfs/dbraw/zinc/42/91/39/781429139.db2.gz SKUNLVJUGNAVRI-ZRUFSTJUSA-N 1 2 268.361 -1.142 20 0 CAADLO C[C@@H](NC(=O)[C@H]1C[C@H]1C(N)=O)[C@@H]1CN(C)CC[N@@H+]1C ZINC001136874769 781429259 /nfs/dbraw/zinc/42/92/59/781429259.db2.gz SKUNLVJUGNAVRI-ZNSHCXBVSA-N 1 2 268.361 -1.142 20 0 CAADLO C[C@@H](NC(=O)[C@H]1C[C@H]1C(N)=O)[C@@H]1CN(C)CC[N@H+]1C ZINC001136874769 781429261 /nfs/dbraw/zinc/42/92/61/781429261.db2.gz SKUNLVJUGNAVRI-ZNSHCXBVSA-N 1 2 268.361 -1.142 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)Cn2cncn2)[C@@H](O)C1 ZINC001090786826 781430803 /nfs/dbraw/zinc/43/08/03/781430803.db2.gz JEGVVEZSLIDBQG-IUCAKERBSA-N 1 2 282.304 -2.685 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)Cn2cncn2)[C@@H](O)C1 ZINC001090786826 781430811 /nfs/dbraw/zinc/43/08/11/781430811.db2.gz JEGVVEZSLIDBQG-IUCAKERBSA-N 1 2 282.304 -2.685 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cn2cncn2)[C@@H](O)C1 ZINC001090786824 781431497 /nfs/dbraw/zinc/43/14/97/781431497.db2.gz JEGVVEZSLIDBQG-BDAKNGLRSA-N 1 2 282.304 -2.685 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)Cn2cncn2)[C@@H](O)C1 ZINC001090786824 781431507 /nfs/dbraw/zinc/43/15/07/781431507.db2.gz JEGVVEZSLIDBQG-BDAKNGLRSA-N 1 2 282.304 -2.685 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)c2ccc(=O)[nH]c2)[C@H](O)C1 ZINC001090779309 781431694 /nfs/dbraw/zinc/43/16/94/781431694.db2.gz CYROTLSXFJTKNN-VHSXEESVSA-N 1 2 294.311 -1.563 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)c2ccc(=O)[nH]c2)[C@H](O)C1 ZINC001090779309 781431702 /nfs/dbraw/zinc/43/17/02/781431702.db2.gz CYROTLSXFJTKNN-VHSXEESVSA-N 1 2 294.311 -1.563 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cn2cncn2)[C@H](O)C1 ZINC001090782333 781431970 /nfs/dbraw/zinc/43/19/70/781431970.db2.gz CPDWMGYNYVMDKY-NXEZZACHSA-N 1 2 296.331 -2.425 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)Cn2cncn2)[C@H](O)C1 ZINC001090782333 781431974 /nfs/dbraw/zinc/43/19/74/781431974.db2.gz CPDWMGYNYVMDKY-NXEZZACHSA-N 1 2 296.331 -2.425 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ccn(C)n2)[C@H](O)C1 ZINC001090809184 781434765 /nfs/dbraw/zinc/43/47/65/781434765.db2.gz SMPAOVPLTVEWQZ-MWLCHTKSSA-N 1 2 295.343 -1.669 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2ccn(C)n2)[C@H](O)C1 ZINC001090809184 781434770 /nfs/dbraw/zinc/43/47/70/781434770.db2.gz SMPAOVPLTVEWQZ-MWLCHTKSSA-N 1 2 295.343 -1.669 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)Cc2ccc[nH]2)[C@H](O)C1 ZINC001090824718 781435021 /nfs/dbraw/zinc/43/50/21/781435021.db2.gz SIDVVUUZPFHXOK-WDEREUQCSA-N 1 2 280.328 -1.406 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)Cc2ccc[nH]2)[C@H](O)C1 ZINC001090824718 781435025 /nfs/dbraw/zinc/43/50/25/781435025.db2.gz SIDVVUUZPFHXOK-WDEREUQCSA-N 1 2 280.328 -1.406 20 0 CAADLO Cn1ccc(C(=O)N[C@H]2CC[N@H+](CC(N)=O)C[C@@H]2O)n1 ZINC001090809028 781435211 /nfs/dbraw/zinc/43/52/11/781435211.db2.gz QSXRBSFSCNLYEF-WPRPVWTQSA-N 1 2 281.316 -1.930 20 0 CAADLO Cn1ccc(C(=O)N[C@H]2CC[N@@H+](CC(N)=O)C[C@@H]2O)n1 ZINC001090809028 781435218 /nfs/dbraw/zinc/43/52/18/781435218.db2.gz QSXRBSFSCNLYEF-WPRPVWTQSA-N 1 2 281.316 -1.930 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cc2ccc[nH]2)[C@@H](O)C1 ZINC001090824716 781435337 /nfs/dbraw/zinc/43/53/37/781435337.db2.gz SIDVVUUZPFHXOK-MNOVXSKESA-N 1 2 280.328 -1.406 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)Cc2ccc[nH]2)[C@@H](O)C1 ZINC001090824716 781435341 /nfs/dbraw/zinc/43/53/41/781435341.db2.gz SIDVVUUZPFHXOK-MNOVXSKESA-N 1 2 280.328 -1.406 20 0 CAADLO Cc1nccc(C(=O)N[C@@H]2CC[N@H+](CC(N)=O)C[C@H]2O)n1 ZINC001090820018 781435481 /nfs/dbraw/zinc/43/54/81/781435481.db2.gz LQKWINZBBUTWPD-MWLCHTKSSA-N 1 2 293.327 -1.565 20 0 CAADLO Cc1nccc(C(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C[C@H]2O)n1 ZINC001090820018 781435483 /nfs/dbraw/zinc/43/54/83/781435483.db2.gz LQKWINZBBUTWPD-MWLCHTKSSA-N 1 2 293.327 -1.565 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cc2ccc[nH]2)[C@@H](O)C1 ZINC001090823178 781435773 /nfs/dbraw/zinc/43/57/73/781435773.db2.gz HZOHVXDXYNRAIF-NEPJUHHUSA-N 1 2 294.355 -1.145 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)Cc2ccc[nH]2)[C@@H](O)C1 ZINC001090823178 781435778 /nfs/dbraw/zinc/43/57/78/781435778.db2.gz HZOHVXDXYNRAIF-NEPJUHHUSA-N 1 2 294.355 -1.145 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2[nH]cnc2C)[C@H](O)C1 ZINC001090847680 781436725 /nfs/dbraw/zinc/43/67/25/781436725.db2.gz AFXIDKKWEMIPNL-VHSXEESVSA-N 1 2 295.343 -1.371 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)c2[nH]cnc2C)[C@H](O)C1 ZINC001090847680 781436732 /nfs/dbraw/zinc/43/67/32/781436732.db2.gz AFXIDKKWEMIPNL-VHSXEESVSA-N 1 2 295.343 -1.371 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2[nH]cnc2C)[C@@H](O)C1 ZINC001090847679 781436962 /nfs/dbraw/zinc/43/69/62/781436962.db2.gz AFXIDKKWEMIPNL-UWVGGRQHSA-N 1 2 295.343 -1.371 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)c2[nH]cnc2C)[C@@H](O)C1 ZINC001090847679 781436968 /nfs/dbraw/zinc/43/69/68/781436968.db2.gz AFXIDKKWEMIPNL-UWVGGRQHSA-N 1 2 295.343 -1.371 20 0 CAADLO NC(=O)CN1CC[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H](O)C1 ZINC001090847397 781437203 /nfs/dbraw/zinc/43/72/03/781437203.db2.gz UFKUKFUSEQADAX-ZJUUUORDSA-N 1 2 281.316 -2.080 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2nonc2C)[C@H](O)C1 ZINC001090851243 781437326 /nfs/dbraw/zinc/43/73/26/781437326.db2.gz AWDXARBXPCYUSV-RKDXNWHRSA-N 1 2 297.315 -1.711 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2nonc2C)[C@H](O)C1 ZINC001090851243 781437332 /nfs/dbraw/zinc/43/73/32/781437332.db2.gz AWDXARBXPCYUSV-RKDXNWHRSA-N 1 2 297.315 -1.711 20 0 CAADLO Cc1nonc1C(=O)N[C@@H]1CC[N@H+](CC(N)=O)C[C@H]1O ZINC001090852179 781437562 /nfs/dbraw/zinc/43/75/62/781437562.db2.gz NYCHIRIGTXLKTO-HTQZYQBOSA-N 1 2 283.288 -1.972 20 0 CAADLO Cc1nonc1C(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C[C@H]1O ZINC001090852179 781437568 /nfs/dbraw/zinc/43/75/68/781437568.db2.gz NYCHIRIGTXLKTO-HTQZYQBOSA-N 1 2 283.288 -1.972 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2[nH]cnc2C)[C@H](O)C1 ZINC001090847678 781437641 /nfs/dbraw/zinc/43/76/41/781437641.db2.gz AFXIDKKWEMIPNL-NXEZZACHSA-N 1 2 295.343 -1.371 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2[nH]cnc2C)[C@H](O)C1 ZINC001090847678 781437645 /nfs/dbraw/zinc/43/76/45/781437645.db2.gz AFXIDKKWEMIPNL-NXEZZACHSA-N 1 2 295.343 -1.371 20 0 CAADLO Cc1nonc1C(=O)N[C@@H]1CC[N@H+](CC(N)=O)C[C@@H]1O ZINC001090852181 781437687 /nfs/dbraw/zinc/43/76/87/781437687.db2.gz NYCHIRIGTXLKTO-SFYZADRCSA-N 1 2 283.288 -1.972 20 0 CAADLO Cc1nonc1C(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C[C@@H]1O ZINC001090852181 781437695 /nfs/dbraw/zinc/43/76/95/781437695.db2.gz NYCHIRIGTXLKTO-SFYZADRCSA-N 1 2 283.288 -1.972 20 0 CAADLO NC(=O)CN1CC[C@H](NC(=O)Cn2cc[nH+]c2)[C@H](O)C1 ZINC001090847396 781437969 /nfs/dbraw/zinc/43/79/69/781437969.db2.gz UFKUKFUSEQADAX-VHSXEESVSA-N 1 2 281.316 -2.080 20 0 CAADLO Cc1nc[nH]c1C(=O)N[C@@H]1CC[N@H+](CC(N)=O)C[C@H]1O ZINC001090847685 781438006 /nfs/dbraw/zinc/43/80/06/781438006.db2.gz AIDBQYROZMOBJN-RKDXNWHRSA-N 1 2 281.316 -1.632 20 0 CAADLO Cc1nc[nH]c1C(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C[C@H]1O ZINC001090847685 781438011 /nfs/dbraw/zinc/43/80/11/781438011.db2.gz AIDBQYROZMOBJN-RKDXNWHRSA-N 1 2 281.316 -1.632 20 0 CAADLO CNC(=O)/C=C/C(=O)N[C@H](Cc1c[nH+]cn1C)C(=O)OC ZINC001144091947 781443396 /nfs/dbraw/zinc/44/33/96/781443396.db2.gz NVHMDDJLGJADOR-ORAHPGNNSA-N 1 2 294.311 -1.077 20 0 CAADLO Cn1c[nH+]c(CCNC(=O)[C@@H]2CC(=O)NC(=O)N2)c1 ZINC001144333446 781449625 /nfs/dbraw/zinc/44/96/25/781449625.db2.gz GNCCXUPYXUZFPY-QMMMGPOBSA-N 1 2 265.273 -1.323 20 0 CAADLO O=C(NCC1([NH+]2CCCC2)COC1)[C@@H]1CC(=O)NC(=O)N1 ZINC001144335900 781450209 /nfs/dbraw/zinc/45/02/09/781450209.db2.gz AFAQXWGRZNVIDV-VIFPVBQESA-N 1 2 296.327 -1.435 20 0 CAADLO CCN(C(=O)[C@@H]1CC(=O)NC(=O)N1)C1C[NH+](C)C1 ZINC001144332058 781450346 /nfs/dbraw/zinc/45/03/46/781450346.db2.gz ZBYSFWGLEFACMA-QMMMGPOBSA-N 1 2 254.290 -1.253 20 0 CAADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)CCCS(N)(=O)=O ZINC001144594174 781460665 /nfs/dbraw/zinc/46/06/65/781460665.db2.gz AQHDMHSQPLQIHI-SNVBAGLBSA-N 1 2 293.389 -1.108 20 0 CAADLO C[C@@H]1COCC[N@H+]1CCNC(=O)CCCS(N)(=O)=O ZINC001144594174 781460670 /nfs/dbraw/zinc/46/06/70/781460670.db2.gz AQHDMHSQPLQIHI-SNVBAGLBSA-N 1 2 293.389 -1.108 20 0 CAADLO C[N@@H+]1CCO[C@H](CNC(=O)CCCS(N)(=O)=O)C1 ZINC001144593854 781461061 /nfs/dbraw/zinc/46/10/61/781461061.db2.gz QKMFVORNCTUFFL-SECBINFHSA-N 1 2 279.362 -1.498 20 0 CAADLO C[N@H+]1CCO[C@H](CNC(=O)CCCS(N)(=O)=O)C1 ZINC001144593854 781461067 /nfs/dbraw/zinc/46/10/67/781461067.db2.gz QKMFVORNCTUFFL-SECBINFHSA-N 1 2 279.362 -1.498 20 0 CAADLO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)C[C@@H]1NC(=O)NC1=O ZINC001144612525 781461335 /nfs/dbraw/zinc/46/13/35/781461335.db2.gz FAFRCCHECIYBBZ-UWVGGRQHSA-N 1 2 297.359 -1.663 20 0 CAADLO COC(=O)[C@@H]1C[C@@H]([N@@H+]2CCOC[C@@](C)(O)C2)CN1 ZINC001246592871 781463594 /nfs/dbraw/zinc/46/35/94/781463594.db2.gz QUOWGBWJFQQICK-SCVCMEIPSA-N 1 2 258.318 -1.027 20 0 CAADLO COC(=O)[C@@H]1C[C@@H]([N@H+]2CCOC[C@@](C)(O)C2)CN1 ZINC001246592871 781463599 /nfs/dbraw/zinc/46/35/99/781463599.db2.gz QUOWGBWJFQQICK-SCVCMEIPSA-N 1 2 258.318 -1.027 20 0 CAADLO Cn1nnc(C[NH2+]C2CC(CNC(=O)c3cnon3)C2)n1 ZINC001091292053 781465420 /nfs/dbraw/zinc/46/54/20/781465420.db2.gz FNNPOGKEYHUTEI-UHFFFAOYSA-N 1 2 292.303 -1.109 20 0 CAADLO Cn1nnnc1C[NH2+]C1CC(CNC(=O)c2nnc[nH]2)C1 ZINC001091288061 781465531 /nfs/dbraw/zinc/46/55/31/781465531.db2.gz DVXXBLGGPUGNKB-UHFFFAOYSA-N 1 2 291.319 -1.374 20 0 CAADLO Cn1nnnc1C[NH2+]C1CC(CNC(=O)c2ncn[nH]2)C1 ZINC001091288061 781465544 /nfs/dbraw/zinc/46/55/44/781465544.db2.gz DVXXBLGGPUGNKB-UHFFFAOYSA-N 1 2 291.319 -1.374 20 0 CAADLO Cn1nnnc1C[NH2+]C1CC(CNC(=O)c2nc[nH]n2)C1 ZINC001091288061 781465551 /nfs/dbraw/zinc/46/55/51/781465551.db2.gz DVXXBLGGPUGNKB-UHFFFAOYSA-N 1 2 291.319 -1.374 20 0 CAADLO O=C(NCCn1cc[nH+]c1)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO ZINC001144895641 781467849 /nfs/dbraw/zinc/46/78/49/781467849.db2.gz WGXHRLHXMXHWFB-DJLDLDEBSA-N 1 2 287.272 -3.357 20 0 CAADLO O=C(NCCn1cc[nH+]c1)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO ZINC001144895744 781467969 /nfs/dbraw/zinc/46/79/69/781467969.db2.gz WGXHRLHXMXHWFB-XHNCKOQMSA-N 1 2 287.272 -3.357 20 0 CAADLO COC[C@@H](C)C(=O)NC[C@H]1C[N@H+](CC(N)=O)CCCO1 ZINC001149391704 781476731 /nfs/dbraw/zinc/47/67/31/781476731.db2.gz POICKHVIKSUFJY-MNOVXSKESA-N 1 2 287.360 -1.039 20 0 CAADLO COC[C@@H](C)C(=O)NC[C@H]1C[N@@H+](CC(N)=O)CCCO1 ZINC001149391704 781476738 /nfs/dbraw/zinc/47/67/38/781476738.db2.gz POICKHVIKSUFJY-MNOVXSKESA-N 1 2 287.360 -1.039 20 0 CAADLO COCCC1(C(=O)N[C@H]2CC[N@H+](CC(N)=O)C[C@@H]2O)CC1 ZINC001099873802 781479603 /nfs/dbraw/zinc/47/96/03/781479603.db2.gz APEBTEBCHLYELY-QWRGUYRKSA-N 1 2 299.371 -1.160 20 0 CAADLO COCCC1(C(=O)N[C@H]2CC[N@@H+](CC(N)=O)C[C@@H]2O)CC1 ZINC001099873802 781479607 /nfs/dbraw/zinc/47/96/07/781479607.db2.gz APEBTEBCHLYELY-QWRGUYRKSA-N 1 2 299.371 -1.160 20 0 CAADLO O=C(CC[C@H]1NC(=O)NC1=O)NCCn1cc[nH+]c1 ZINC000042720674 781481145 /nfs/dbraw/zinc/48/11/45/781481145.db2.gz HUPNMPXFGSJSKV-MRVPVSSYSA-N 1 2 265.273 -1.013 20 0 CAADLO Cn1cnnc1COCC(=O)NCC[NH2+]Cc1cnon1 ZINC001146208829 781481650 /nfs/dbraw/zinc/48/16/50/781481650.db2.gz PDAUTNOEGJJEBV-UHFFFAOYSA-N 1 2 295.303 -1.379 20 0 CAADLO COC(=O)[C@@H]1C[C@@H](N2C[C@@H](F)C[C@H]2C(N)=O)C[NH2+]1 ZINC001246805684 781482508 /nfs/dbraw/zinc/48/25/08/781482508.db2.gz RXBWSCXDILZZOV-KZVJFYERSA-N 1 2 259.281 -1.212 20 0 CAADLO CN1CC[N@H+](C)[C@@H](CNC(=O)C[C@H]2CC(=O)N2)C1 ZINC001146377445 781483556 /nfs/dbraw/zinc/48/35/56/781483556.db2.gz YSKVYOJWQNYFLF-UWVGGRQHSA-N 1 2 254.334 -1.373 20 0 CAADLO CN1CC[N@@H+](C)[C@@H](CNC(=O)C[C@H]2CC(=O)N2)C1 ZINC001146377445 781483559 /nfs/dbraw/zinc/48/35/59/781483559.db2.gz YSKVYOJWQNYFLF-UWVGGRQHSA-N 1 2 254.334 -1.373 20 0 CAADLO CN1CC[N@H+](C)[C@H](CNC(=O)C[C@@H]2CC(=O)N2)C1 ZINC001146377444 781483674 /nfs/dbraw/zinc/48/36/74/781483674.db2.gz YSKVYOJWQNYFLF-NXEZZACHSA-N 1 2 254.334 -1.373 20 0 CAADLO CN1CC[N@@H+](C)[C@H](CNC(=O)C[C@@H]2CC(=O)N2)C1 ZINC001146377444 781483676 /nfs/dbraw/zinc/48/36/76/781483676.db2.gz YSKVYOJWQNYFLF-NXEZZACHSA-N 1 2 254.334 -1.373 20 0 CAADLO Cc1nonc1CC(=O)NCC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001146251063 781484152 /nfs/dbraw/zinc/48/41/52/781484152.db2.gz HYXDOGQXHVHPSV-UHFFFAOYSA-N 1 2 295.303 -1.752 20 0 CAADLO Cc1cc(=O)c(C(=O)NCC[NH2+]Cc2nnnn2C)c[nH]1 ZINC001146527604 781485155 /nfs/dbraw/zinc/48/51/55/781485155.db2.gz DYQNUNXZBPZCCZ-UHFFFAOYSA-N 1 2 291.315 -1.274 20 0 CAADLO Cc1c[nH]c(CCNC(=O)C2=C[C@@H](O)[C@@H](O)[C@H](O)C2)[nH+]1 ZINC001146626406 781488990 /nfs/dbraw/zinc/48/89/90/781488990.db2.gz KKGHPUKNQALAOO-CKYFFXLPSA-N 1 2 281.312 -1.210 20 0 CAADLO Cn1c[nH+]c(CCNC(=O)C2=C[C@@H](O)[C@@H](O)[C@H](O)C2)c1 ZINC001146627390 781489608 /nfs/dbraw/zinc/48/96/08/781489608.db2.gz ZZYIIMJIHWEVDZ-IJLUTSLNSA-N 1 2 281.312 -1.508 20 0 CAADLO Cc1conc1C(=O)NCC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001146834298 781492214 /nfs/dbraw/zinc/49/22/14/781492214.db2.gz RNKUKWZXTWYUAL-UHFFFAOYSA-N 1 2 280.288 -1.076 20 0 CAADLO O=C(CN1CCC(=O)NC1=O)NCC[NH2+]Cc1cnon1 ZINC001146878406 781494381 /nfs/dbraw/zinc/49/43/81/781494381.db2.gz GTUAVACBIKKQON-UHFFFAOYSA-N 1 2 296.287 -1.783 20 0 CAADLO NC(=O)NCC(=O)N1CC2(C1)CC[N@H+](Cc1cnon1)C2 ZINC001147006306 781497552 /nfs/dbraw/zinc/49/75/52/781497552.db2.gz XSZHGNFQDWHQND-UHFFFAOYSA-N 1 2 294.315 -1.228 20 0 CAADLO NC(=O)NCC(=O)N1CC2(C1)CC[N@@H+](Cc1cnon1)C2 ZINC001147006306 781497556 /nfs/dbraw/zinc/49/75/56/781497556.db2.gz XSZHGNFQDWHQND-UHFFFAOYSA-N 1 2 294.315 -1.228 20 0 CAADLO Cn1[nH]c(C[NH2+]CCNC(=O)[C@@H]2C[C@@]23CCOC3)nc1=O ZINC001147004141 781497913 /nfs/dbraw/zinc/49/79/13/781497913.db2.gz SXULQQCVTDDIEX-TVQRCGJNSA-N 1 2 295.343 -1.259 20 0 CAADLO Cn1[nH]c(C[NH2+]CCNC(=O)CCCCC(N)=O)nc1=O ZINC001147119023 781500893 /nfs/dbraw/zinc/50/08/93/781500893.db2.gz IZDGLCARYISTEA-UHFFFAOYSA-N 1 2 298.347 -1.640 20 0 CAADLO Cn1[nH]c(C[NH2+]CCNC(=O)Cc2nc[nH]n2)nc1=O ZINC001147277291 781505466 /nfs/dbraw/zinc/50/54/66/781505466.db2.gz BMMPYZAOXUJHPF-UHFFFAOYSA-N 1 2 280.292 -2.325 20 0 CAADLO Cc1nonc1C[NH2+]CCNC(=O)Cc1nc[nH]n1 ZINC001147277294 781505537 /nfs/dbraw/zinc/50/55/37/781505537.db2.gz BNJHFXOJOPHQBT-UHFFFAOYSA-N 1 2 265.277 -1.055 20 0 CAADLO C[C@@H]([NH2+]CCNC(=O)Cc1nc[nH]n1)c1nnnn1C ZINC001147263938 781505828 /nfs/dbraw/zinc/50/58/28/781505828.db2.gz BQAIUTUZAOSUID-SSDOTTSWSA-N 1 2 279.308 -1.662 20 0 CAADLO Cc1nnc(C[NH2+]CCNC(=O)Cc2nc[nH]n2)[nH]1 ZINC001147265271 781506278 /nfs/dbraw/zinc/50/62/78/781506278.db2.gz XOBWWGFEDRKKBY-UHFFFAOYSA-N 1 2 264.293 -1.320 20 0 CAADLO CC(C)n1nnnc1C[NH2+]CCNC(=O)Cc1nc[nH]n1 ZINC001147271741 781506351 /nfs/dbraw/zinc/50/63/51/781506351.db2.gz PMAOGVFQOIDKJJ-UHFFFAOYSA-N 1 2 293.335 -1.179 20 0 CAADLO Cn1ccnc1C[NH2+]CCNC(=O)Cc1nnc[nH]1 ZINC001147271812 781506468 /nfs/dbraw/zinc/50/64/68/781506468.db2.gz STQWJKLXAMBIJR-UHFFFAOYSA-N 1 2 263.305 -1.013 20 0 CAADLO CN(C)c1noc(C[NH2+]CCNC(=O)Cc2nc[nH]n2)n1 ZINC001147277890 781507374 /nfs/dbraw/zinc/50/73/74/781507374.db2.gz POTXGPBKXHMPPC-UHFFFAOYSA-N 1 2 294.319 -1.298 20 0 CAADLO O=C(Cc1nc[nH]n1)NCC[NH2+]Cc1nnnn1C1CC1 ZINC001147278230 781507785 /nfs/dbraw/zinc/50/77/85/781507785.db2.gz WLSFOBGXLLVOCF-UHFFFAOYSA-N 1 2 291.319 -1.425 20 0 CAADLO C[C@H](CNC(=O)[C@H](CO)NC(N)=O)Cn1cc[nH+]c1 ZINC001147456392 781511671 /nfs/dbraw/zinc/51/16/71/781511671.db2.gz PMBRSYNWOVZDIS-BDAKNGLRSA-N 1 2 269.305 -1.335 20 0 CAADLO [NH3+][C@@H]1NCN(C(=O)c2cc(=O)cco2)[C@H]2NCN[C@@H]21 ZINC001147613135 781515852 /nfs/dbraw/zinc/51/58/52/781515852.db2.gz HUQMZRPKFMYEGO-OPRDCNLKSA-N 1 2 265.273 -2.228 20 0 CAADLO [NH3+][C@@H]1NCN(C(=O)c2cc(=O)cco2)[C@H]2NCN[C@H]21 ZINC001147613133 781516138 /nfs/dbraw/zinc/51/61/38/781516138.db2.gz HUQMZRPKFMYEGO-IVZWLZJFSA-N 1 2 265.273 -2.228 20 0 CAADLO CNC(=O)C[NH2+]CCNC(=O)[C@H]1CCc2nn[nH]c2C1 ZINC001147687370 781516626 /nfs/dbraw/zinc/51/66/26/781516626.db2.gz DWKGYRHMHWEVIN-QMMMGPOBSA-N 1 2 280.332 -1.639 20 0 CAADLO CN(C)C(=O)C[NH2+]CCNC(=O)[C@@H]1CCc2nn[nH]c2C1 ZINC001147688354 781517175 /nfs/dbraw/zinc/51/71/75/781517175.db2.gz LCRUUGVKIYTUDY-SECBINFHSA-N 1 2 294.359 -1.296 20 0 CAADLO CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CCc2nn[nH]c2C1 ZINC001147687240 781517510 /nfs/dbraw/zinc/51/75/10/781517510.db2.gz CDZVWJVZJVVYIB-VIFPVBQESA-N 1 2 294.359 -1.249 20 0 CAADLO NC(=O)C[NH2+]CCNC(=O)[C@@H]1CCc2[nH]nnc2C1 ZINC001147688577 781517635 /nfs/dbraw/zinc/51/76/35/781517635.db2.gz OUTHMZKVCCNWKR-SSDOTTSWSA-N 1 2 266.305 -1.899 20 0 CAADLO NC(=O)C[NH2+]CCNC(=O)[C@@H]1CCc2nn[nH]c2C1 ZINC001147688577 781517639 /nfs/dbraw/zinc/51/76/39/781517639.db2.gz OUTHMZKVCCNWKR-SSDOTTSWSA-N 1 2 266.305 -1.899 20 0 CAADLO NC(=O)c1nccnc1C(=O)N[C@@H](CO)Cc1c[nH]c[nH+]1 ZINC001147759289 781520180 /nfs/dbraw/zinc/52/01/80/781520180.db2.gz CWABPVBCIWDRCV-MRVPVSSYSA-N 1 2 290.283 -1.368 20 0 CAADLO NC(=O)c1nccnc1C(=O)N[C@@H](CO)Cc1c[nH+]c[nH]1 ZINC001147759289 781520185 /nfs/dbraw/zinc/52/01/85/781520185.db2.gz CWABPVBCIWDRCV-MRVPVSSYSA-N 1 2 290.283 -1.368 20 0 CAADLO C[N@@H+]1CCO[C@@H](CNC(=O)c2nccnc2C(N)=O)C1 ZINC001147758050 781520732 /nfs/dbraw/zinc/52/07/32/781520732.db2.gz MBCRFLUAUMSEHT-QMMMGPOBSA-N 1 2 279.300 -1.364 20 0 CAADLO C[N@H+]1CCO[C@@H](CNC(=O)c2nccnc2C(N)=O)C1 ZINC001147758050 781520737 /nfs/dbraw/zinc/52/07/37/781520737.db2.gz MBCRFLUAUMSEHT-QMMMGPOBSA-N 1 2 279.300 -1.364 20 0 CAADLO C[N@@H+]1CCO[C@H](CNC(=O)c2nccnc2C(N)=O)C1 ZINC001147758048 781520886 /nfs/dbraw/zinc/52/08/86/781520886.db2.gz MBCRFLUAUMSEHT-MRVPVSSYSA-N 1 2 279.300 -1.364 20 0 CAADLO C[N@H+]1CCO[C@H](CNC(=O)c2nccnc2C(N)=O)C1 ZINC001147758048 781520892 /nfs/dbraw/zinc/52/08/92/781520892.db2.gz MBCRFLUAUMSEHT-MRVPVSSYSA-N 1 2 279.300 -1.364 20 0 CAADLO CCOC(=O)[C@@H]1COCCN1C(=O)[C@@H]([NH3+])Cc1nn[nH]n1 ZINC001161093645 781526432 /nfs/dbraw/zinc/52/64/32/781526432.db2.gz UKZPKYGCLJTVBM-YUMQZZPRSA-N 1 2 298.303 -2.140 20 0 CAADLO CCn1cnc(C(=O)NCC[NH2+]Cc2nc(=O)n(C)[nH]2)c1 ZINC001148033338 781527258 /nfs/dbraw/zinc/52/72/58/781527258.db2.gz KTRXWVULIRVWKC-UHFFFAOYSA-N 1 2 293.331 -1.156 20 0 CAADLO Cc1noc(C[NH2+]CCNC(=O)[C@@H]2CCC(=O)N2)n1 ZINC001148417661 781533464 /nfs/dbraw/zinc/53/34/64/781533464.db2.gz GGIHEPKKAHFMJT-QMMMGPOBSA-N 1 2 267.289 -1.138 20 0 CAADLO Cc1nonc1C[NH2+]CCNC(=O)[C@@H]1CCC(=O)N1 ZINC001148417353 781533971 /nfs/dbraw/zinc/53/39/71/781533971.db2.gz ADVWBVSZAWFION-QMMMGPOBSA-N 1 2 267.289 -1.138 20 0 CAADLO COCc1noc(C[NH2+]CCNC(=O)[C@@H]2CCC(=O)N2)n1 ZINC001148417401 781534145 /nfs/dbraw/zinc/53/41/45/781534145.db2.gz CFUVSBLAGUDXBR-QMMMGPOBSA-N 1 2 297.315 -1.300 20 0 CAADLO CNC(=O)C[N@@H+]1CCCO[C@H](CNC(=O)COC)C1 ZINC001148935980 781541200 /nfs/dbraw/zinc/54/12/00/781541200.db2.gz XHYOXFZIQATRET-SNVBAGLBSA-N 1 2 273.333 -1.414 20 0 CAADLO CNC(=O)C[N@H+]1CCCO[C@H](CNC(=O)COC)C1 ZINC001148935980 781541209 /nfs/dbraw/zinc/54/12/09/781541209.db2.gz XHYOXFZIQATRET-SNVBAGLBSA-N 1 2 273.333 -1.414 20 0 CAADLO CC(=O)NC[C@H]1C[N@H+](CC(=O)NC(N)=O)CCCO1 ZINC001148961728 781541410 /nfs/dbraw/zinc/54/14/10/781541410.db2.gz MOLHMYUBHTYAJC-VIFPVBQESA-N 1 2 272.305 -1.592 20 0 CAADLO CC(=O)NC[C@H]1C[N@@H+](CC(=O)NC(N)=O)CCCO1 ZINC001148961728 781541414 /nfs/dbraw/zinc/54/14/14/781541414.db2.gz MOLHMYUBHTYAJC-VIFPVBQESA-N 1 2 272.305 -1.592 20 0 CAADLO NC(=O)NC(=O)C[N@@H+]1CCCO[C@H](CNC(=O)C2CC2)C1 ZINC001148970544 781543074 /nfs/dbraw/zinc/54/30/74/781543074.db2.gz ZZHOEJSBNVMYLH-SNVBAGLBSA-N 1 2 298.343 -1.202 20 0 CAADLO NC(=O)NC(=O)C[N@H+]1CCCO[C@H](CNC(=O)C2CC2)C1 ZINC001148970544 781543082 /nfs/dbraw/zinc/54/30/82/781543082.db2.gz ZZHOEJSBNVMYLH-SNVBAGLBSA-N 1 2 298.343 -1.202 20 0 CAADLO CNC(=O)C[N@@H+]1CCCO[C@@H](CNC(=O)CCOC)C1 ZINC001148968948 781543197 /nfs/dbraw/zinc/54/31/97/781543197.db2.gz HLTQMONDNGEASP-NSHDSACASA-N 1 2 287.360 -1.024 20 0 CAADLO CNC(=O)C[N@H+]1CCCO[C@@H](CNC(=O)CCOC)C1 ZINC001148968948 781543205 /nfs/dbraw/zinc/54/32/05/781543205.db2.gz HLTQMONDNGEASP-NSHDSACASA-N 1 2 287.360 -1.024 20 0 CAADLO Cc1nn[nH]c1C(=O)N1C[C@H]2C[N@H+](CC(N)=O)C[C@@]2(C)C1 ZINC001091906644 781544703 /nfs/dbraw/zinc/54/47/03/781544703.db2.gz WZELYFWGCIZTNP-RNCFNFMXSA-N 1 2 292.343 -1.008 20 0 CAADLO Cc1nn[nH]c1C(=O)N1C[C@H]2C[N@@H+](CC(N)=O)C[C@@]2(C)C1 ZINC001091906644 781544708 /nfs/dbraw/zinc/54/47/08/781544708.db2.gz WZELYFWGCIZTNP-RNCFNFMXSA-N 1 2 292.343 -1.008 20 0 CAADLO Cc1nc(N2CC[C@@H](NC(=O)CC(N)=O)[C@@H](O)C2)cc[nH+]1 ZINC001092134663 781545986 /nfs/dbraw/zinc/54/59/86/781545986.db2.gz OVGIPBNZHLCLKG-ZJUUUORDSA-N 1 2 293.327 -1.284 20 0 CAADLO Cc1nc(N2CC[C@H](NC(=O)CC(N)=O)[C@@H](O)C2)cc[nH+]1 ZINC001092134661 781545997 /nfs/dbraw/zinc/54/59/97/781545997.db2.gz OVGIPBNZHLCLKG-UWVGGRQHSA-N 1 2 293.327 -1.284 20 0 CAADLO Cc1nc(NCCN(CCO)C(=O)C(N)=O)cc[nH+]1 ZINC001111557254 781547267 /nfs/dbraw/zinc/54/72/67/781547267.db2.gz ODNUSOWMWJAUDK-UHFFFAOYSA-N 1 2 267.289 -1.497 20 0 CAADLO COCC(C)(C)C(=O)N[C@@H]1CC[N@H+](CC(N)=O)C[C@@H]1O ZINC001099918881 781547515 /nfs/dbraw/zinc/54/75/15/781547515.db2.gz RZEZGGOXRXKMDP-ZJUUUORDSA-N 1 2 287.360 -1.304 20 0 CAADLO COCC(C)(C)C(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C[C@@H]1O ZINC001099918881 781547520 /nfs/dbraw/zinc/54/75/20/781547520.db2.gz RZEZGGOXRXKMDP-ZJUUUORDSA-N 1 2 287.360 -1.304 20 0 CAADLO CC(C)(O)CC(=O)NC[C@@H]1C[N@H+](CC(N)=O)CCCO1 ZINC001149661132 781547595 /nfs/dbraw/zinc/54/75/95/781547595.db2.gz XPUINVKRMWPQBR-SNVBAGLBSA-N 1 2 287.360 -1.160 20 0 CAADLO CC(C)(O)CC(=O)NC[C@@H]1C[N@@H+](CC(N)=O)CCCO1 ZINC001149661132 781547608 /nfs/dbraw/zinc/54/76/08/781547608.db2.gz XPUINVKRMWPQBR-SNVBAGLBSA-N 1 2 287.360 -1.160 20 0 CAADLO CC(C)(O)CC(=O)NC[C@H]1C[N@H+](CC(N)=O)CCCO1 ZINC001149661131 781548146 /nfs/dbraw/zinc/54/81/46/781548146.db2.gz XPUINVKRMWPQBR-JTQLQIEISA-N 1 2 287.360 -1.160 20 0 CAADLO CC(C)(O)CC(=O)NC[C@H]1C[N@@H+](CC(N)=O)CCCO1 ZINC001149661131 781548155 /nfs/dbraw/zinc/54/81/55/781548155.db2.gz XPUINVKRMWPQBR-JTQLQIEISA-N 1 2 287.360 -1.160 20 0 CAADLO COCC1(C(=O)N[C@H]2CC[N@H+](CC(N)=O)C[C@H]2O)CC1 ZINC001099921067 781549405 /nfs/dbraw/zinc/54/94/05/781549405.db2.gz JTPYHLBKTQTXAX-VHSXEESVSA-N 1 2 285.344 -1.550 20 0 CAADLO COCC1(C(=O)N[C@H]2CC[N@@H+](CC(N)=O)C[C@H]2O)CC1 ZINC001099921067 781549410 /nfs/dbraw/zinc/54/94/10/781549410.db2.gz JTPYHLBKTQTXAX-VHSXEESVSA-N 1 2 285.344 -1.550 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1C[C@@H](CNC(=O)c2nc[nH]n2)[C@H](C)C1 ZINC001093063883 781550018 /nfs/dbraw/zinc/55/00/18/781550018.db2.gz BAOVQMHACJZDCO-HRDYMLBCSA-N 1 2 280.332 -1.024 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1C[C@@H](CNC(=O)c2nc[nH]n2)[C@H](C)C1 ZINC001093063883 781550026 /nfs/dbraw/zinc/55/00/26/781550026.db2.gz BAOVQMHACJZDCO-HRDYMLBCSA-N 1 2 280.332 -1.024 20 0 CAADLO Cc1nc(N(C)C)nc(NCCNC(=O)CNC(N)=O)[nH+]1 ZINC001093500676 781556232 /nfs/dbraw/zinc/55/62/32/781556232.db2.gz GPBUGSXRUHXZQZ-UHFFFAOYSA-N 1 2 296.335 -1.558 20 0 CAADLO Cc1nc(NCCNC(=O)CNC(N)=O)cc[nH+]1 ZINC001093500797 781556251 /nfs/dbraw/zinc/55/62/51/781556251.db2.gz MGSVAFWIEUGPQK-UHFFFAOYSA-N 1 2 252.278 -1.019 20 0 CAADLO NC(=O)CC(=O)N1CCC(OC2C[NH+](CCO)C2)CC1 ZINC001093519302 781556272 /nfs/dbraw/zinc/55/62/72/781556272.db2.gz KBWLKSBKSONILD-UHFFFAOYSA-N 1 2 285.344 -1.454 20 0 CAADLO Cn1ncc2c1nc[nH+]c2NCCNC(=O)CC(N)=O ZINC001093538814 781557548 /nfs/dbraw/zinc/55/75/48/781557548.db2.gz QFYVRDYVIKRSMR-UHFFFAOYSA-N 1 2 277.288 -1.233 20 0 CAADLO Cc1nc(NCCNC(=O)Cn2cnnn2)cc[nH+]1 ZINC001093504932 781557816 /nfs/dbraw/zinc/55/78/16/781557816.db2.gz HPCDXZRXULWORH-UHFFFAOYSA-N 1 2 262.277 -1.000 20 0 CAADLO COCC[NH+]1CC(OC2CCN(C(=O)C(N)=O)CC2)C1 ZINC001093567440 781557893 /nfs/dbraw/zinc/55/78/93/781557893.db2.gz OWNKDZNVYOLMSZ-UHFFFAOYSA-N 1 2 285.344 -1.190 20 0 CAADLO CNC(=O)CC(=O)NCCNc1nc(N(C)C)nc(C)[nH+]1 ZINC001093567996 781558073 /nfs/dbraw/zinc/55/80/73/781558073.db2.gz LNVZOQYUDKSFFO-UHFFFAOYSA-N 1 2 295.347 -1.090 20 0 CAADLO O=C(Cn1cc[nH+]c1)NCCNc1ccc2nnnn2n1 ZINC001093701210 781558321 /nfs/dbraw/zinc/55/83/21/781558321.db2.gz NUQDSLURVGJZJD-UHFFFAOYSA-N 1 2 287.287 -1.056 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)Cc3ncn[nH]3)CC[C@H]21 ZINC001036865535 781559430 /nfs/dbraw/zinc/55/94/30/781559430.db2.gz OVCAZWIJAUCTSA-NXEZZACHSA-N 1 2 292.343 -1.245 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)Cc3ncn[nH]3)CC[C@H]21 ZINC001036865535 781559434 /nfs/dbraw/zinc/55/94/34/781559434.db2.gz OVCAZWIJAUCTSA-NXEZZACHSA-N 1 2 292.343 -1.245 20 0 CAADLO Cc1nc(NCCNC(=O)CN2C(=O)CNC2=O)cc[nH+]1 ZINC001093634652 781559686 /nfs/dbraw/zinc/55/96/86/781559686.db2.gz JTOHXJRJORHCLK-UHFFFAOYSA-N 1 2 292.299 -1.135 20 0 CAADLO NC(=O)C[N@@H+]1CCCO[C@H](CNC(=O)Cn2nccn2)C1 ZINC001149795890 781560737 /nfs/dbraw/zinc/56/07/37/781560737.db2.gz HQVIDZNKUWBJNL-SNVBAGLBSA-N 1 2 296.331 -2.030 20 0 CAADLO NC(=O)C[N@H+]1CCCO[C@H](CNC(=O)Cn2nccn2)C1 ZINC001149795890 781560747 /nfs/dbraw/zinc/56/07/47/781560747.db2.gz HQVIDZNKUWBJNL-SNVBAGLBSA-N 1 2 296.331 -2.030 20 0 CAADLO Cc1nc(NCCNC(=O)Cn2ncnn2)cc[nH+]1 ZINC001093889872 781560916 /nfs/dbraw/zinc/56/09/16/781560916.db2.gz NGCSYLXIXNKBRS-UHFFFAOYSA-N 1 2 262.277 -1.000 20 0 CAADLO O=C(NCc1cn(C2C[NH+](CCO)C2)nn1)c1ncc[nH]1 ZINC001094287285 781563574 /nfs/dbraw/zinc/56/35/74/781563574.db2.gz HFJKEYRLOIKVDE-UHFFFAOYSA-N 1 2 291.315 -1.220 20 0 CAADLO O=C(NCc1cn(C2C[NH+](CCO)C2)nn1)c1ccn[nH]1 ZINC001094277580 781564026 /nfs/dbraw/zinc/56/40/26/781564026.db2.gz OGXOWSGJPMHAHL-UHFFFAOYSA-N 1 2 291.315 -1.220 20 0 CAADLO Cc1nc(NCCNC(=O)C[C@@H]2NC(=O)NC2=O)cc[nH+]1 ZINC001094215093 781564070 /nfs/dbraw/zinc/56/40/70/781564070.db2.gz VTFFFQPTEMUMLJ-QMMMGPOBSA-N 1 2 292.299 -1.089 20 0 CAADLO O=C(NCc1cn(C2C[NH+](CCO)C2)nn1)c1cnon1 ZINC001094328073 781565827 /nfs/dbraw/zinc/56/58/27/781565827.db2.gz ZLYBKPZLLIKNBR-UHFFFAOYSA-N 1 2 293.287 -1.560 20 0 CAADLO O=C(N[C@@H]1CC(=O)N(C2C[NH+](CCO)C2)C1)c1cocn1 ZINC001094716100 781566678 /nfs/dbraw/zinc/56/66/78/781566678.db2.gz VTMOQGJRDIZRPZ-SECBINFHSA-N 1 2 294.311 -1.318 20 0 CAADLO O=C(N[C@@H]1CC(=O)N(C2C[NH+](CCO)C2)C1)c1ccn[nH]1 ZINC001094710209 781567295 /nfs/dbraw/zinc/56/72/95/781567295.db2.gz RPODJMJMVMTOMN-SECBINFHSA-N 1 2 293.327 -1.583 20 0 CAADLO CC(=O)N[C@@H]1CC(=O)N(C2C[NH+](CCn3cncn3)C2)C1 ZINC001094689351 781568518 /nfs/dbraw/zinc/56/85/18/781568518.db2.gz LPNDXAUPUAKCIR-LLVKDONJSA-N 1 2 292.343 -1.301 20 0 CAADLO CC(C)=CC[NH+]1CC(N2C[C@H](NC(=O)C(N)=O)CC2=O)C1 ZINC001094778508 781569153 /nfs/dbraw/zinc/56/91/53/781569153.db2.gz DKFFBFNVHUTDTR-SNVBAGLBSA-N 1 2 294.355 -1.161 20 0 CAADLO O=C(N[C@H]1CC(=O)N(C2C[NH+](CCO)C2)C1)c1cnco1 ZINC001094767846 781569229 /nfs/dbraw/zinc/56/92/29/781569229.db2.gz JNURKMODGKNXTC-VIFPVBQESA-N 1 2 294.311 -1.318 20 0 CAADLO NC(=O)C(=O)N[C@@H]1CC(=O)N(C2C[NH+](CCO)C2)C1 ZINC001094780289 781569276 /nfs/dbraw/zinc/56/92/76/781569276.db2.gz XLCONJYRLZOCQP-SSDOTTSWSA-N 1 2 270.289 -3.135 20 0 CAADLO COCC[NH+]1CC(N2C[C@H](NC(=O)C(N)=O)CC2=O)C1 ZINC001094778386 781569810 /nfs/dbraw/zinc/56/98/10/781569810.db2.gz CIDXGMULJHAXOC-MRVPVSSYSA-N 1 2 284.316 -2.481 20 0 CAADLO CC[NH+]1CC(N2C[C@@H](NC(=O)c3cn[nH]n3)CC2=O)C1 ZINC001094756672 781570028 /nfs/dbraw/zinc/57/00/28/781570028.db2.gz LNOXWPKPYFMZBF-QMMMGPOBSA-N 1 2 278.316 -1.161 20 0 CAADLO CC[NH+]1CC(N2C[C@@H](NC(=O)c3cnn[nH]3)CC2=O)C1 ZINC001094756672 781570032 /nfs/dbraw/zinc/57/00/32/781570032.db2.gz LNOXWPKPYFMZBF-QMMMGPOBSA-N 1 2 278.316 -1.161 20 0 CAADLO NC(=O)[C@@]1([NH2+]CC(=O)Nc2ccncc2)CCOC1 ZINC001171572885 781570642 /nfs/dbraw/zinc/57/06/42/781570642.db2.gz MKXVUEUIMYMYPP-GFCCVEGCSA-N 1 2 264.285 -1.324 20 0 CAADLO Cn1nnc(C[NH2+]CCCNC(=O)[C@@H]2CCC(=O)N2)n1 ZINC001171620748 781572836 /nfs/dbraw/zinc/57/28/36/781572836.db2.gz HCBCRMPHIFQRFT-QMMMGPOBSA-N 1 2 281.320 -1.915 20 0 CAADLO Cn1nncc1C[N@@H+]1CCCO[C@H](CNC(=O)C(N)=O)C1 ZINC001150212323 781578487 /nfs/dbraw/zinc/57/84/87/781578487.db2.gz PZRJLGWPFHPRRW-SNVBAGLBSA-N 1 2 296.331 -1.993 20 0 CAADLO Cn1nncc1C[N@H+]1CCCO[C@H](CNC(=O)C(N)=O)C1 ZINC001150212323 781578497 /nfs/dbraw/zinc/57/84/97/781578497.db2.gz PZRJLGWPFHPRRW-SNVBAGLBSA-N 1 2 296.331 -1.993 20 0 CAADLO NC(=O)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cc1ncn[nH]1)C2 ZINC001095035770 781579159 /nfs/dbraw/zinc/57/91/59/781579159.db2.gz OJXGZMRPFYFQQW-AEJSXWLSSA-N 1 2 292.343 -1.198 20 0 CAADLO CNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1cnnn1)C2 ZINC001095158341 781579627 /nfs/dbraw/zinc/57/96/27/781579627.db2.gz NZYZICRPOLZTBY-UTLUCORTSA-N 1 2 293.331 -1.859 20 0 CAADLO CNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1cnnn1)C2 ZINC001095158341 781579632 /nfs/dbraw/zinc/57/96/32/781579632.db2.gz NZYZICRPOLZTBY-UTLUCORTSA-N 1 2 293.331 -1.859 20 0 CAADLO NC(=O)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cc1ncn[nH]1)C2 ZINC001095035771 781579666 /nfs/dbraw/zinc/57/96/66/781579666.db2.gz OJXGZMRPFYFQQW-GUBZILKMSA-N 1 2 292.343 -1.198 20 0 CAADLO COc1cccc2c1C[C@H]([NH2+]C(C(N)=O)C(N)=O)CO2 ZINC001173147212 781579775 /nfs/dbraw/zinc/57/97/75/781579775.db2.gz FFGYXRNZCDRPJU-ZETCQYMHSA-N 1 2 279.296 -1.073 20 0 CAADLO NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CN1CCCC1=O)C2 ZINC001095162538 781580004 /nfs/dbraw/zinc/58/00/04/781580004.db2.gz ZXCOOBABCXFJIN-VWYCJHECSA-N 1 2 294.355 -1.184 20 0 CAADLO NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CN1CCCC1=O)C2 ZINC001095162538 781580012 /nfs/dbraw/zinc/58/00/12/781580012.db2.gz ZXCOOBABCXFJIN-VWYCJHECSA-N 1 2 294.355 -1.184 20 0 CAADLO Cn1nncc1C[N@@H+]1CCCO[C@@H](CNC(=O)C(N)=O)C1 ZINC001150212313 781580124 /nfs/dbraw/zinc/58/01/24/781580124.db2.gz PZRJLGWPFHPRRW-JTQLQIEISA-N 1 2 296.331 -1.993 20 0 CAADLO Cn1nncc1C[N@H+]1CCCO[C@@H](CNC(=O)C(N)=O)C1 ZINC001150212313 781580131 /nfs/dbraw/zinc/58/01/31/781580131.db2.gz PZRJLGWPFHPRRW-JTQLQIEISA-N 1 2 296.331 -1.993 20 0 CAADLO C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CC(N)=O)C1 ZINC001095266733 781583150 /nfs/dbraw/zinc/58/31/50/781583150.db2.gz DGZXHIUVEWADEX-NOOOWODRSA-N 1 2 296.371 -1.476 20 0 CAADLO C[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CC(N)=O)C1 ZINC001095266733 781583155 /nfs/dbraw/zinc/58/31/55/781583155.db2.gz DGZXHIUVEWADEX-NOOOWODRSA-N 1 2 296.371 -1.476 20 0 CAADLO Cc1c(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(N)=O)nnn1C ZINC001095262314 781583176 /nfs/dbraw/zinc/58/31/76/781583176.db2.gz NOIWRWAJNYIGQA-UTLUCORTSA-N 1 2 292.343 -1.056 20 0 CAADLO Cc1c(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(N)=O)nnn1C ZINC001095262314 781583180 /nfs/dbraw/zinc/58/31/80/781583180.db2.gz NOIWRWAJNYIGQA-UTLUCORTSA-N 1 2 292.343 -1.056 20 0 CAADLO NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCNC(=O)C1)C2 ZINC001095291938 781583524 /nfs/dbraw/zinc/58/35/24/781583524.db2.gz SYKIEOJLKHOAIS-VLEAKVRGSA-N 1 2 294.355 -1.281 20 0 CAADLO NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCNC(=O)C1)C2 ZINC001095291938 781583517 /nfs/dbraw/zinc/58/35/17/781583517.db2.gz SYKIEOJLKHOAIS-VLEAKVRGSA-N 1 2 294.355 -1.281 20 0 CAADLO O=C(N[C@H](CO)Cc1c[nH]c[nH+]1)[C@@H]1CCOC(=O)N1 ZINC001174950842 781585651 /nfs/dbraw/zinc/58/56/51/781585651.db2.gz SKFLNPRHRVOELT-IUCAKERBSA-N 1 2 268.273 -1.072 20 0 CAADLO O=C(N[C@H](CO)Cc1c[nH+]c[nH]1)[C@@H]1CCOC(=O)N1 ZINC001174950842 781585655 /nfs/dbraw/zinc/58/56/55/781585655.db2.gz SKFLNPRHRVOELT-IUCAKERBSA-N 1 2 268.273 -1.072 20 0 CAADLO O=C(N[C@H](CO)Cc1c[nH]c[nH+]1)[C@H]1COCCO1 ZINC001174941041 781585724 /nfs/dbraw/zinc/58/57/24/781585724.db2.gz MVXWIMLXYDXFJN-VHSXEESVSA-N 1 2 255.274 -1.155 20 0 CAADLO O=C(N[C@H](CO)Cc1c[nH+]c[nH]1)[C@H]1COCCO1 ZINC001174941041 781585742 /nfs/dbraw/zinc/58/57/42/781585742.db2.gz MVXWIMLXYDXFJN-VHSXEESVSA-N 1 2 255.274 -1.155 20 0 CAADLO O=C(N[C@H](CO)Cc1c[nH]c[nH+]1)[C@@H]1COCCO1 ZINC001174941040 781586513 /nfs/dbraw/zinc/58/65/13/781586513.db2.gz MVXWIMLXYDXFJN-UWVGGRQHSA-N 1 2 255.274 -1.155 20 0 CAADLO O=C(N[C@H](CO)Cc1c[nH+]c[nH]1)[C@@H]1COCCO1 ZINC001174941040 781586521 /nfs/dbraw/zinc/58/65/21/781586521.db2.gz MVXWIMLXYDXFJN-UWVGGRQHSA-N 1 2 255.274 -1.155 20 0 CAADLO O=C(CNC(=O)C1CC1)N[C@H](CO)Cc1c[nH]c[nH+]1 ZINC001174941346 781586702 /nfs/dbraw/zinc/58/67/02/781586702.db2.gz PPDPBCXUCHQBCC-JTQLQIEISA-N 1 2 266.301 -1.045 20 0 CAADLO O=C(CNC(=O)C1CC1)N[C@H](CO)Cc1c[nH+]c[nH]1 ZINC001174941346 781586709 /nfs/dbraw/zinc/58/67/09/781586709.db2.gz PPDPBCXUCHQBCC-JTQLQIEISA-N 1 2 266.301 -1.045 20 0 CAADLO CCc1nnc(C[NH2+]CCNC(=O)CCNC(N)=O)o1 ZINC001150424402 781586731 /nfs/dbraw/zinc/58/67/31/781586731.db2.gz RXRMTKLTCGOVHU-UHFFFAOYSA-N 1 2 284.320 -1.104 20 0 CAADLO O=C(Cn1ncnn1)N[C@H](CO)Cc1c[nH]c[nH+]1 ZINC001174949903 781586848 /nfs/dbraw/zinc/58/68/48/781586848.db2.gz MMOGYTCGAUEJBT-QMMMGPOBSA-N 1 2 251.250 -1.884 20 0 CAADLO O=C(Cn1ncnn1)N[C@H](CO)Cc1c[nH+]c[nH]1 ZINC001174949903 781586854 /nfs/dbraw/zinc/58/68/54/781586854.db2.gz MMOGYTCGAUEJBT-QMMMGPOBSA-N 1 2 251.250 -1.884 20 0 CAADLO Cn1cc(C(=O)N[C@H](CO)Cc2c[nH]c[nH+]2)nn1 ZINC001174951202 781587115 /nfs/dbraw/zinc/58/71/15/781587115.db2.gz ZDRSTANCLOZTBC-QMMMGPOBSA-N 1 2 250.262 -1.128 20 0 CAADLO Cn1cc(C(=O)N[C@H](CO)Cc2c[nH+]c[nH]2)nn1 ZINC001174951202 781587118 /nfs/dbraw/zinc/58/71/18/781587118.db2.gz ZDRSTANCLOZTBC-QMMMGPOBSA-N 1 2 250.262 -1.128 20 0 CAADLO CN1C[C@@H](C(=O)N[C@H](CO)Cc2c[nH]c[nH+]2)NC1=O ZINC001174950862 781587159 /nfs/dbraw/zinc/58/71/59/781587159.db2.gz SZYWWJAVKKCKJL-IUCAKERBSA-N 1 2 267.289 -1.547 20 0 CAADLO CN1C[C@@H](C(=O)N[C@H](CO)Cc2c[nH+]c[nH]2)NC1=O ZINC001174950862 781587166 /nfs/dbraw/zinc/58/71/66/781587166.db2.gz SZYWWJAVKKCKJL-IUCAKERBSA-N 1 2 267.289 -1.547 20 0 CAADLO NC(=O)NCCC(=O)NCC[NH2+]Cc1csnn1 ZINC001150424417 781587559 /nfs/dbraw/zinc/58/75/59/781587559.db2.gz SGCYYOVAOYMZJE-UHFFFAOYSA-N 1 2 272.334 -1.198 20 0 CAADLO O=C(CN1C(=O)CCC1=O)NCC[NH2+]Cc1ncccn1 ZINC001150473499 781589500 /nfs/dbraw/zinc/58/95/00/781589500.db2.gz SVGNCOIYNLUESX-UHFFFAOYSA-N 1 2 291.311 -1.169 20 0 CAADLO C[N@@H+]1CCCn2nc(C(=O)NC[C@@H](O)CO)cc2C1 ZINC001175094957 781589699 /nfs/dbraw/zinc/58/96/99/781589699.db2.gz QHOYRJIHMYHBNK-SNVBAGLBSA-N 1 2 268.317 -1.198 20 0 CAADLO C[N@H+]1CCCn2nc(C(=O)NC[C@@H](O)CO)cc2C1 ZINC001175094957 781589706 /nfs/dbraw/zinc/58/97/06/781589706.db2.gz QHOYRJIHMYHBNK-SNVBAGLBSA-N 1 2 268.317 -1.198 20 0 CAADLO O=C(CN1C(=O)CCC1=O)NCC[NH2+]Cc1csnn1 ZINC001150474002 781590251 /nfs/dbraw/zinc/59/02/51/781590251.db2.gz YKVWJFWMFALZHJ-UHFFFAOYSA-N 1 2 297.340 -1.107 20 0 CAADLO NC(=O)C[N@@H+]1CCCO[C@H](CNC(=O)Cc2ncc[nH]2)C1 ZINC001150507167 781591251 /nfs/dbraw/zinc/59/12/51/781591251.db2.gz DFPIHNDHXCRUGZ-SNVBAGLBSA-N 1 2 295.343 -1.355 20 0 CAADLO NC(=O)C[N@H+]1CCCO[C@H](CNC(=O)Cc2ncc[nH]2)C1 ZINC001150507167 781591256 /nfs/dbraw/zinc/59/12/56/781591256.db2.gz DFPIHNDHXCRUGZ-SNVBAGLBSA-N 1 2 295.343 -1.355 20 0 CAADLO CCC(CO)(CO)NC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(C)=O ZINC001176380383 781599775 /nfs/dbraw/zinc/59/97/75/781599775.db2.gz QQKRDZJZBOBRDO-LLVKDONJSA-N 1 2 298.343 -1.294 20 0 CAADLO CCC(CO)(CO)NC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(C)=O ZINC001176380383 781599783 /nfs/dbraw/zinc/59/97/83/781599783.db2.gz QQKRDZJZBOBRDO-LLVKDONJSA-N 1 2 298.343 -1.294 20 0 CAADLO CNC(=O)[C@H](C)NC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(C)=O ZINC001176385258 781600069 /nfs/dbraw/zinc/60/00/69/781600069.db2.gz LCZIVNYGYKHCKF-OIBJUYFYSA-N 1 2 281.316 -1.292 20 0 CAADLO CNC(=O)[C@H](C)NC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(C)=O ZINC001176385258 781600074 /nfs/dbraw/zinc/60/00/74/781600074.db2.gz LCZIVNYGYKHCKF-OIBJUYFYSA-N 1 2 281.316 -1.292 20 0 CAADLO CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)NCC1OCCO1 ZINC001176381072 781600697 /nfs/dbraw/zinc/60/06/97/781600697.db2.gz WFDJVMOPYKYFQU-SNVBAGLBSA-N 1 2 282.300 -1.054 20 0 CAADLO CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)NCC1OCCO1 ZINC001176381072 781600703 /nfs/dbraw/zinc/60/07/03/781600703.db2.gz WFDJVMOPYKYFQU-SNVBAGLBSA-N 1 2 282.300 -1.054 20 0 CAADLO CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](CO)C(N)=O ZINC001176379568 781600925 /nfs/dbraw/zinc/60/09/25/781600925.db2.gz DEODQFDDMFDJPM-BDAKNGLRSA-N 1 2 283.288 -2.581 20 0 CAADLO CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](CO)C(N)=O ZINC001176379568 781600929 /nfs/dbraw/zinc/60/09/29/781600929.db2.gz DEODQFDDMFDJPM-BDAKNGLRSA-N 1 2 283.288 -2.581 20 0 CAADLO CNOCCNC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(C)=O ZINC001176379545 781601073 /nfs/dbraw/zinc/60/10/73/781601073.db2.gz CMOAIQIOXXWBAY-SNVBAGLBSA-N 1 2 269.305 -1.276 20 0 CAADLO CNOCCNC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(C)=O ZINC001176379545 781601079 /nfs/dbraw/zinc/60/10/79/781601079.db2.gz CMOAIQIOXXWBAY-SNVBAGLBSA-N 1 2 269.305 -1.276 20 0 CAADLO CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC(=O)C1 ZINC001176356710 781601766 /nfs/dbraw/zinc/60/17/66/781601766.db2.gz NCSIBIUHDQEMRZ-SNVBAGLBSA-N 1 2 250.258 -1.132 20 0 CAADLO CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC(=O)C1 ZINC001176356710 781601772 /nfs/dbraw/zinc/60/17/72/781601772.db2.gz NCSIBIUHDQEMRZ-SNVBAGLBSA-N 1 2 250.258 -1.132 20 0 CAADLO CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@H](O)CF ZINC001176397853 781601843 /nfs/dbraw/zinc/60/18/43/781601843.db2.gz CPTFVJQPKKCAQA-NXEZZACHSA-N 1 2 272.280 -1.097 20 0 CAADLO CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@H](O)CF ZINC001176397853 781601849 /nfs/dbraw/zinc/60/18/49/781601849.db2.gz CPTFVJQPKKCAQA-NXEZZACHSA-N 1 2 272.280 -1.097 20 0 CAADLO C[C@@H]([NH2+]CCS(=O)(=O)N(C)C)c1nnnn1C ZINC001176793840 781603526 /nfs/dbraw/zinc/60/35/26/781603526.db2.gz WLEDFGPLWURMBA-SSDOTTSWSA-N 1 2 262.339 -1.248 20 0 CAADLO CC(=O)NCC(=O)N1CC[C@H]2OCC[N@H+](CCCO)[C@H]2C1 ZINC001176894498 781607626 /nfs/dbraw/zinc/60/76/26/781607626.db2.gz QBKOIUXXDSZTDS-QWHCGFSZSA-N 1 2 299.371 -1.193 20 0 CAADLO CC(=O)NCC(=O)N1CC[C@H]2OCC[N@@H+](CCCO)[C@H]2C1 ZINC001176894498 781607629 /nfs/dbraw/zinc/60/76/29/781607629.db2.gz QBKOIUXXDSZTDS-QWHCGFSZSA-N 1 2 299.371 -1.193 20 0 CAADLO O=C(CCn1cc[nH+]c1)N[C@@H]1C[C@H](CO)[C@@H](O)[C@H]1O ZINC001176882976 781607911 /nfs/dbraw/zinc/60/79/11/781607911.db2.gz AAWYDTCZAKOIQQ-IQIPOGNMSA-N 1 2 269.301 -1.508 20 0 CAADLO CC(=O)NCC(=O)N1CC[C@@H]2OCC[N@H+](CCCO)[C@@H]2C1 ZINC001176894497 781607940 /nfs/dbraw/zinc/60/79/40/781607940.db2.gz QBKOIUXXDSZTDS-OLZOCXBDSA-N 1 2 299.371 -1.193 20 0 CAADLO CC(=O)NCC(=O)N1CC[C@@H]2OCC[N@@H+](CCCO)[C@@H]2C1 ZINC001176894497 781607943 /nfs/dbraw/zinc/60/79/43/781607943.db2.gz QBKOIUXXDSZTDS-OLZOCXBDSA-N 1 2 299.371 -1.193 20 0 CAADLO O=C(CCn1cc[nH+]c1)NC[C@H]1CNC(=O)CO1 ZINC001176883160 781607962 /nfs/dbraw/zinc/60/79/62/781607962.db2.gz DHXAQCHCDALECQ-VIFPVBQESA-N 1 2 252.274 -1.096 20 0 CAADLO NC(=O)NCC(=O)N1CC[C@@H]2OCC[N@H+](CCO)[C@H]2C1 ZINC001176906811 781611309 /nfs/dbraw/zinc/61/13/09/781611309.db2.gz MISCHGNUWVCQHV-UWVGGRQHSA-N 1 2 286.332 -2.051 20 0 CAADLO NC(=O)NCC(=O)N1CC[C@@H]2OCC[N@@H+](CCO)[C@H]2C1 ZINC001176906811 781611311 /nfs/dbraw/zinc/61/13/11/781611311.db2.gz MISCHGNUWVCQHV-UWVGGRQHSA-N 1 2 286.332 -2.051 20 0 CAADLO CNC(=O)CC(=O)N1CC[C@H]2OCC[N@H+](CCO)[C@@H]2C1 ZINC001176994832 781612880 /nfs/dbraw/zinc/61/28/80/781612880.db2.gz PYQGEUDMPVTDDB-GHMZBOCLSA-N 1 2 285.344 -1.584 20 0 CAADLO CNC(=O)CC(=O)N1CC[C@H]2OCC[N@@H+](CCO)[C@@H]2C1 ZINC001176994832 781612882 /nfs/dbraw/zinc/61/28/82/781612882.db2.gz PYQGEUDMPVTDDB-GHMZBOCLSA-N 1 2 285.344 -1.584 20 0 CAADLO CNC(=O)CC(=O)N1CC[C@@H]2OCC[N@H+](CCO)[C@H]2C1 ZINC001176994835 781613033 /nfs/dbraw/zinc/61/30/33/781613033.db2.gz PYQGEUDMPVTDDB-QWRGUYRKSA-N 1 2 285.344 -1.584 20 0 CAADLO CNC(=O)CC(=O)N1CC[C@@H]2OCC[N@@H+](CCO)[C@H]2C1 ZINC001176994835 781613035 /nfs/dbraw/zinc/61/30/35/781613035.db2.gz PYQGEUDMPVTDDB-QWRGUYRKSA-N 1 2 285.344 -1.584 20 0 CAADLO COCCC[N@@H+]1CCO[C@@H]2CCN(C(=O)C(N)=O)C[C@H]21 ZINC001177072514 781614814 /nfs/dbraw/zinc/61/48/14/781614814.db2.gz HTMUBJVHIKYOFP-GHMZBOCLSA-N 1 2 285.344 -1.190 20 0 CAADLO COCCC[N@H+]1CCO[C@@H]2CCN(C(=O)C(N)=O)C[C@H]21 ZINC001177072514 781614818 /nfs/dbraw/zinc/61/48/18/781614818.db2.gz HTMUBJVHIKYOFP-GHMZBOCLSA-N 1 2 285.344 -1.190 20 0 CAADLO NC(=O)CCCC(=O)N1CC[C@H]2OCC[N@H+](CCO)[C@H]2C1 ZINC001177162811 781615482 /nfs/dbraw/zinc/61/54/82/781615482.db2.gz OLOCLPLSIHODCH-NWDGAFQWSA-N 1 2 299.371 -1.064 20 0 CAADLO NC(=O)CCCC(=O)N1CC[C@H]2OCC[N@@H+](CCO)[C@H]2C1 ZINC001177162811 781615493 /nfs/dbraw/zinc/61/54/93/781615493.db2.gz OLOCLPLSIHODCH-NWDGAFQWSA-N 1 2 299.371 -1.064 20 0 CAADLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)C1(O)COC1 ZINC001177133706 781615565 /nfs/dbraw/zinc/61/55/65/781615565.db2.gz SSTRIWVCYUBBNX-SNVBAGLBSA-N 1 2 258.318 -1.025 20 0 CAADLO CC[C@@H]1COCC[N@H+]1CCNC(=O)C1(O)COC1 ZINC001177133706 781615574 /nfs/dbraw/zinc/61/55/74/781615574.db2.gz SSTRIWVCYUBBNX-SNVBAGLBSA-N 1 2 258.318 -1.025 20 0 CAADLO NC(=O)CCCC(=O)N1CC[C@@H]2OCC[N@H+](CCO)[C@H]2C1 ZINC001177162812 781615627 /nfs/dbraw/zinc/61/56/27/781615627.db2.gz OLOCLPLSIHODCH-RYUDHWBXSA-N 1 2 299.371 -1.064 20 0 CAADLO NC(=O)CCCC(=O)N1CC[C@@H]2OCC[N@@H+](CCO)[C@H]2C1 ZINC001177162812 781615628 /nfs/dbraw/zinc/61/56/28/781615628.db2.gz OLOCLPLSIHODCH-RYUDHWBXSA-N 1 2 299.371 -1.064 20 0 CAADLO CN(C)C(=O)CC(=O)N1CC[C@@H]2OCC[N@H+](CCO)[C@@H]2C1 ZINC001177107056 781615751 /nfs/dbraw/zinc/61/57/51/781615751.db2.gz MCSVJVJZFPPCCA-NEPJUHHUSA-N 1 2 299.371 -1.241 20 0 CAADLO CN(C)C(=O)CC(=O)N1CC[C@@H]2OCC[N@@H+](CCO)[C@@H]2C1 ZINC001177107056 781615755 /nfs/dbraw/zinc/61/57/55/781615755.db2.gz MCSVJVJZFPPCCA-NEPJUHHUSA-N 1 2 299.371 -1.241 20 0 CAADLO NC(=O)CCCC(=O)N1CC[C@@H]2OCC[N@H+](CCO)[C@@H]2C1 ZINC001177162810 781615830 /nfs/dbraw/zinc/61/58/30/781615830.db2.gz OLOCLPLSIHODCH-NEPJUHHUSA-N 1 2 299.371 -1.064 20 0 CAADLO NC(=O)CCCC(=O)N1CC[C@@H]2OCC[N@@H+](CCO)[C@@H]2C1 ZINC001177162810 781615838 /nfs/dbraw/zinc/61/58/38/781615838.db2.gz OLOCLPLSIHODCH-NEPJUHHUSA-N 1 2 299.371 -1.064 20 0 CAADLO CN(CC(=O)N[C@H](CO)C(N)=O)c1cccc[nH+]1 ZINC001177413734 781618825 /nfs/dbraw/zinc/61/88/25/781618825.db2.gz IMNPUTBDJBKFLN-MRVPVSSYSA-N 1 2 252.274 -1.520 20 0 CAADLO O=C(CCc1[nH]cc[nH+]1)NC[C@@H]1CNC(=O)CO1 ZINC001177997929 781628087 /nfs/dbraw/zinc/62/80/87/781628087.db2.gz HIDPKIKFLDTLCW-MRVPVSSYSA-N 1 2 252.274 -1.027 20 0 CAADLO O=C(Cn1cc[nH+]c1)NCCc1nnc2c(=O)[nH]ccn12 ZINC001177852951 781628233 /nfs/dbraw/zinc/62/82/33/781628233.db2.gz LGIDYEPWQKQOHK-UHFFFAOYSA-N 1 2 287.283 -1.027 20 0 CAADLO O=C(NC(CO)(CO)CO)[C@H]1CCc2[nH+]ccn2C1 ZINC001178119559 781628944 /nfs/dbraw/zinc/62/89/44/781628944.db2.gz SCNCBFZMVDONNA-VIFPVBQESA-N 1 2 269.301 -1.723 20 0 CAADLO NC(=O)[C@H](CO)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001178118663 781629646 /nfs/dbraw/zinc/62/96/46/781629646.db2.gz CTDFNCZJDXFBJA-SFYZADRCSA-N 1 2 252.274 -1.592 20 0 CAADLO NC(=O)[C@@H](CO)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001178118661 781629716 /nfs/dbraw/zinc/62/97/16/781629716.db2.gz CTDFNCZJDXFBJA-HTQZYQBOSA-N 1 2 252.274 -1.592 20 0 CAADLO COC(=O)[C@H]1C[N@H+](C)CCN1C(=O)[C@H]1CC(=O)N(C)C1 ZINC001178521695 781636109 /nfs/dbraw/zinc/63/61/09/781636109.db2.gz SFCIRMHPMMGULW-VHSXEESVSA-N 1 2 283.328 -1.220 20 0 CAADLO COC(=O)[C@H]1C[N@@H+](C)CCN1C(=O)[C@H]1CC(=O)N(C)C1 ZINC001178521695 781636112 /nfs/dbraw/zinc/63/61/12/781636112.db2.gz SFCIRMHPMMGULW-VHSXEESVSA-N 1 2 283.328 -1.220 20 0 CAADLO COC(=O)[C@H]1C[N@H+](C)CCN1C(=O)[C@@H]1CC(=O)N(C)C1 ZINC001178521691 781636382 /nfs/dbraw/zinc/63/63/82/781636382.db2.gz SFCIRMHPMMGULW-NXEZZACHSA-N 1 2 283.328 -1.220 20 0 CAADLO COC(=O)[C@H]1C[N@@H+](C)CCN1C(=O)[C@@H]1CC(=O)N(C)C1 ZINC001178521691 781636385 /nfs/dbraw/zinc/63/63/85/781636385.db2.gz SFCIRMHPMMGULW-NXEZZACHSA-N 1 2 283.328 -1.220 20 0 CAADLO COC(=O)[C@@H]1C[N@H+](C)CCN1C(=O)[C@@H]1CC(=O)N(C)C1 ZINC001178521697 781636464 /nfs/dbraw/zinc/63/64/64/781636464.db2.gz SFCIRMHPMMGULW-ZJUUUORDSA-N 1 2 283.328 -1.220 20 0 CAADLO COC(=O)[C@@H]1C[N@@H+](C)CCN1C(=O)[C@@H]1CC(=O)N(C)C1 ZINC001178521697 781636467 /nfs/dbraw/zinc/63/64/67/781636467.db2.gz SFCIRMHPMMGULW-ZJUUUORDSA-N 1 2 283.328 -1.220 20 0 CAADLO COCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC(N)=O ZINC001110223581 781638490 /nfs/dbraw/zinc/63/84/90/781638490.db2.gz VDLPJDPXYZOYFM-HLTSFMKQSA-N 1 2 284.316 -1.451 20 0 CAADLO COCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC(N)=O ZINC001110223581 781638499 /nfs/dbraw/zinc/63/84/99/781638499.db2.gz VDLPJDPXYZOYFM-HLTSFMKQSA-N 1 2 284.316 -1.451 20 0 CAADLO CC(=O)N1CCN(CC(=O)NC2C[NH+](C)C2)CC1 ZINC001179035857 781645338 /nfs/dbraw/zinc/64/53/38/781645338.db2.gz QVIJAYNJJCUJGR-UHFFFAOYSA-N 1 2 254.334 -1.419 20 0 CAADLO CCS(=O)(=O)CC(=O)N1CC([NH2+]C2COC2)C1 ZINC001179458664 781649376 /nfs/dbraw/zinc/64/93/76/781649376.db2.gz TUTRNZILRFZMDV-UHFFFAOYSA-N 1 2 262.331 -1.380 20 0 CAADLO CS(=O)(=O)C[C@H](O)CNC(=O)Cn1cc[nH+]c1 ZINC001179623154 781650877 /nfs/dbraw/zinc/65/08/77/781650877.db2.gz DGPGFJUFGPMUAP-MRVPVSSYSA-N 1 2 261.303 -1.595 20 0 CAADLO CNC(=O)C[NH2+][C@H]1CCN(C(=O)Cc2ncn[nH]2)[C@H]1C ZINC001179897041 781652874 /nfs/dbraw/zinc/65/28/74/781652874.db2.gz XXYNBJBMMUIWPL-IUCAKERBSA-N 1 2 280.332 -1.328 20 0 CAADLO NC(=O)Cn1cc(C[N@H+](CCO)CCCO)nn1 ZINC001180262028 781660426 /nfs/dbraw/zinc/66/04/26/781660426.db2.gz HOEYIHJGMSMHQX-UHFFFAOYSA-N 1 2 257.294 -2.060 20 0 CAADLO NC(=O)Cn1cc(C[N@@H+](CCO)CCCO)nn1 ZINC001180262028 781660432 /nfs/dbraw/zinc/66/04/32/781660432.db2.gz HOEYIHJGMSMHQX-UHFFFAOYSA-N 1 2 257.294 -2.060 20 0 CAADLO CCN(C(=O)CN1C(=O)CNC1=O)C1C[NH+](C)C1 ZINC001180384172 781662189 /nfs/dbraw/zinc/66/21/89/781662189.db2.gz FDNWWJZYFXDOIW-UHFFFAOYSA-N 1 2 254.290 -1.299 20 0 CAADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)CN1C(=O)CNC1=O ZINC001180386051 781663335 /nfs/dbraw/zinc/66/33/35/781663335.db2.gz FBKDUHWCABQKRT-SECBINFHSA-N 1 2 284.316 -1.625 20 0 CAADLO C[C@@H]1COCC[N@H+]1CCNC(=O)CN1C(=O)CNC1=O ZINC001180386051 781663339 /nfs/dbraw/zinc/66/33/39/781663339.db2.gz FBKDUHWCABQKRT-SECBINFHSA-N 1 2 284.316 -1.625 20 0 CAADLO C[N@@H+]1CCO[C@H](CNC(=O)CN2C(=O)CNC2=O)C1 ZINC001180385254 781663638 /nfs/dbraw/zinc/66/36/38/781663638.db2.gz ZTWOKOFJXTXJAB-MRVPVSSYSA-N 1 2 270.289 -2.015 20 0 CAADLO C[N@H+]1CCO[C@H](CNC(=O)CN2C(=O)CNC2=O)C1 ZINC001180385254 781663641 /nfs/dbraw/zinc/66/36/41/781663641.db2.gz ZTWOKOFJXTXJAB-MRVPVSSYSA-N 1 2 270.289 -2.015 20 0 CAADLO O=C(CN1C(=O)CNC1=O)N[C@@H](CO)Cc1c[nH]c[nH+]1 ZINC001180384927 781663601 /nfs/dbraw/zinc/66/36/01/781663601.db2.gz JPJDXXVLGNWVFM-MRVPVSSYSA-N 1 2 281.272 -2.019 20 0 CAADLO O=C(CN1C(=O)CNC1=O)N[C@@H](CO)Cc1c[nH+]c[nH]1 ZINC001180384927 781663605 /nfs/dbraw/zinc/66/36/05/781663605.db2.gz JPJDXXVLGNWVFM-MRVPVSSYSA-N 1 2 281.272 -2.019 20 0 CAADLO COC(=O)[C@@H]1C[N@H+](C)CCN1C(=O)C1=NN(C)C(=O)CC1 ZINC001180443498 781665015 /nfs/dbraw/zinc/66/50/15/781665015.db2.gz MHRHLXGNZIHAKH-JTQLQIEISA-N 1 2 296.327 -1.090 20 0 CAADLO COC(=O)[C@@H]1C[N@@H+](C)CCN1C(=O)C1=NN(C)C(=O)CC1 ZINC001180443498 781665018 /nfs/dbraw/zinc/66/50/18/781665018.db2.gz MHRHLXGNZIHAKH-JTQLQIEISA-N 1 2 296.327 -1.090 20 0 CAADLO O=C(N[C@@H](CO)Cc1c[nH]c[nH+]1)[C@H]1CSCC(=O)N1 ZINC001180555768 781668564 /nfs/dbraw/zinc/66/85/64/781668564.db2.gz LJOCEDUHIXMIEU-RKDXNWHRSA-N 1 2 284.341 -1.339 20 0 CAADLO O=C(N[C@@H](CO)Cc1c[nH+]c[nH]1)[C@H]1CSCC(=O)N1 ZINC001180555768 781668566 /nfs/dbraw/zinc/66/85/66/781668566.db2.gz LJOCEDUHIXMIEU-RKDXNWHRSA-N 1 2 284.341 -1.339 20 0 CAADLO C[N@@H+]1CCO[C@H](C(=O)NC2(CO)CCOCC2)C1 ZINC001180760273 781676852 /nfs/dbraw/zinc/67/68/52/781676852.db2.gz NSKIAYWXNBHYDT-JTQLQIEISA-N 1 2 258.318 -1.025 20 0 CAADLO C[N@H+]1CCO[C@H](C(=O)NC2(CO)CCOCC2)C1 ZINC001180760273 781676855 /nfs/dbraw/zinc/67/68/55/781676855.db2.gz NSKIAYWXNBHYDT-JTQLQIEISA-N 1 2 258.318 -1.025 20 0 CAADLO COC(=O)CC(=O)N1CC[N@@H+](C)C[C@H]1C(=O)OC ZINC001181385894 781693030 /nfs/dbraw/zinc/69/30/30/781693030.db2.gz QDXAGOMCNDBRER-QMMMGPOBSA-N 1 2 258.274 -1.135 20 0 CAADLO Cc1noc(C[NH2+][C@@H]2CCN(C(=O)CNC(N)=O)C2)n1 ZINC001180897375 781683646 /nfs/dbraw/zinc/68/36/46/781683646.db2.gz JDFTWASIIFBSMB-MRVPVSSYSA-N 1 2 282.304 -1.263 20 0 CAADLO COC(=O)[C@@H]1C[N@H+](C)CCN1C(=O)[C@@H]1COCCO1 ZINC001180999874 781684059 /nfs/dbraw/zinc/68/40/59/781684059.db2.gz JYYJBIZNROKAFO-UWVGGRQHSA-N 1 2 272.301 -1.283 20 0 CAADLO COC(=O)[C@@H]1C[N@@H+](C)CCN1C(=O)[C@@H]1COCCO1 ZINC001180999874 781684062 /nfs/dbraw/zinc/68/40/62/781684062.db2.gz JYYJBIZNROKAFO-UWVGGRQHSA-N 1 2 272.301 -1.283 20 0 CAADLO O=C(N[C@@H](CO)Cc1c[nH]c[nH+]1)[C@@H]1COCCO1 ZINC001181005393 781684786 /nfs/dbraw/zinc/68/47/86/781684786.db2.gz MVXWIMLXYDXFJN-ZJUUUORDSA-N 1 2 255.274 -1.155 20 0 CAADLO O=C(N[C@@H](CO)Cc1c[nH+]c[nH]1)[C@@H]1COCCO1 ZINC001181005393 781684791 /nfs/dbraw/zinc/68/47/91/781684791.db2.gz MVXWIMLXYDXFJN-ZJUUUORDSA-N 1 2 255.274 -1.155 20 0 CAADLO CN1C(=O)C[C@@H](C(=O)NC[C@H]2C[N@H+](C)CCO2)NC1=O ZINC001181136957 781689385 /nfs/dbraw/zinc/68/93/85/781689385.db2.gz WACRPLOTMPXDFA-IUCAKERBSA-N 1 2 284.316 -1.627 20 0 CAADLO CN1C(=O)C[C@@H](C(=O)NC[C@H]2C[N@@H+](C)CCO2)NC1=O ZINC001181136957 781689391 /nfs/dbraw/zinc/68/93/91/781689391.db2.gz WACRPLOTMPXDFA-IUCAKERBSA-N 1 2 284.316 -1.627 20 0 CAADLO Nc1cc(CC(=O)N2CC(N3CCNC(=O)C3)C2)cc[nH+]1 ZINC001181257068 781691513 /nfs/dbraw/zinc/69/15/13/781691513.db2.gz QERKOTUQLYXIRT-UHFFFAOYSA-N 1 2 289.339 -1.151 20 0 CAADLO CS(=O)(=O)NC1CN(C(=O)Cc2cc[nH+]c(N)c2)C1 ZINC001181258365 781691685 /nfs/dbraw/zinc/69/16/85/781691685.db2.gz YGNBWWSJVKDUMX-UHFFFAOYSA-N 1 2 284.341 -1.034 20 0 CAADLO CC(=O)C[C@H](C)C(=O)N1CN[C@H]([NH3+])[C@H]2NCN[C@@H]21 ZINC001181256336 781692225 /nfs/dbraw/zinc/69/22/25/781692225.db2.gz KGRDDWNJHXMSKC-QRYDPKPESA-N 1 2 255.322 -1.879 20 0 CAADLO COC(=O)CC(=O)N1CC[N@H+](C)C[C@H]1C(=O)OC ZINC001181385894 781693027 /nfs/dbraw/zinc/69/30/27/781693027.db2.gz QDXAGOMCNDBRER-QMMMGPOBSA-N 1 2 258.274 -1.135 20 0 CAADLO [NH3+][C@@H]1NCN(C(=O)C(=O)Cc2ccccc2)[C@H]2NCN[C@@H]21 ZINC001181380598 781693278 /nfs/dbraw/zinc/69/32/78/781693278.db2.gz KRYHBVNTZWLKKR-JHJVBQTASA-N 1 2 289.339 -1.683 20 0 CAADLO COC(=O)[C@H]1C[N@H+](C)CCN1C(=O)COCCO ZINC001181790823 781699848 /nfs/dbraw/zinc/69/98/48/781699848.db2.gz NODWEKBUJOFHFS-SECBINFHSA-N 1 2 260.290 -1.689 20 0 CAADLO COC(=O)[C@H]1C[N@@H+](C)CCN1C(=O)COCCO ZINC001181790823 781699853 /nfs/dbraw/zinc/69/98/53/781699853.db2.gz NODWEKBUJOFHFS-SECBINFHSA-N 1 2 260.290 -1.689 20 0 CAADLO [NH3+][C@@H]1NCN(C(=O)[C@H]2CCC(=O)C2)[C@H]2NCN[C@H]21 ZINC001181905408 781702592 /nfs/dbraw/zinc/70/25/92/781702592.db2.gz QDFRRUKNMFEYHL-BEYHFKMWSA-N 1 2 253.306 -2.125 20 0 CAADLO [NH3+][C@@H]1NCN(C(=O)[C@H]2CCC(=O)C2)[C@H]2NCN[C@@H]21 ZINC001181905417 781703892 /nfs/dbraw/zinc/70/38/92/781703892.db2.gz QDFRRUKNMFEYHL-JZKKDOLYSA-N 1 2 253.306 -2.125 20 0 CAADLO CC(=O)N[C@@H](CCO)C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC001182135240 781710955 /nfs/dbraw/zinc/71/09/55/781710955.db2.gz SFZAABPMMSBUIJ-MNOVXSKESA-N 1 2 273.333 -1.680 20 0 CAADLO CC(=O)N[C@@H](CCO)C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC001182135240 781710961 /nfs/dbraw/zinc/71/09/61/781710961.db2.gz SFZAABPMMSBUIJ-MNOVXSKESA-N 1 2 273.333 -1.680 20 0 CAADLO CC(=O)N[C@H](CCO)C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC001182139354 781712066 /nfs/dbraw/zinc/71/20/66/781712066.db2.gz ROKSZBRLRMGECX-ZYHUDNBSSA-N 1 2 287.360 -1.290 20 0 CAADLO CC(=O)N[C@H](CCO)C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC001182139354 781712076 /nfs/dbraw/zinc/71/20/76/781712076.db2.gz ROKSZBRLRMGECX-ZYHUDNBSSA-N 1 2 287.360 -1.290 20 0 CAADLO C[N@@H+]1CCO[C@@H](CNC(=O)CC2CC(=O)NC(=O)C2)C1 ZINC001182171606 781713509 /nfs/dbraw/zinc/71/35/09/781713509.db2.gz JLBQYKVHCBOTDQ-JTQLQIEISA-N 1 2 283.328 -1.124 20 0 CAADLO C[N@H+]1CCO[C@@H](CNC(=O)CC2CC(=O)NC(=O)C2)C1 ZINC001182171606 781713515 /nfs/dbraw/zinc/71/35/15/781713515.db2.gz JLBQYKVHCBOTDQ-JTQLQIEISA-N 1 2 283.328 -1.124 20 0 CAADLO CC(=O)N[C@H](CCO)C(=O)NCCc1[nH+]ccn1C ZINC001182146413 781713607 /nfs/dbraw/zinc/71/36/07/781713607.db2.gz WSYBLQOHOAFYRB-SNVBAGLBSA-N 1 2 268.317 -1.034 20 0 CAADLO COC(=O)NCC(=O)N[C@H](Cc1c[nH+]cn1C)C(=O)OC ZINC001182162875 781713661 /nfs/dbraw/zinc/71/36/61/781713661.db2.gz AGPUIOBVXRCRBC-SECBINFHSA-N 1 2 298.299 -1.024 20 0 CAADLO CC(=O)N[C@@H](CCO)C(=O)NCCc1[nH+]ccn1C ZINC001182146412 781713871 /nfs/dbraw/zinc/71/38/71/781713871.db2.gz WSYBLQOHOAFYRB-JTQLQIEISA-N 1 2 268.317 -1.034 20 0 CAADLO C[N@@H+]1CCO[C@H](CNC(=O)CC2CC(=O)NC(=O)C2)C1 ZINC001182171607 781713928 /nfs/dbraw/zinc/71/39/28/781713928.db2.gz JLBQYKVHCBOTDQ-SNVBAGLBSA-N 1 2 283.328 -1.124 20 0 CAADLO C[N@H+]1CCO[C@H](CNC(=O)CC2CC(=O)NC(=O)C2)C1 ZINC001182171607 781713932 /nfs/dbraw/zinc/71/39/32/781713932.db2.gz JLBQYKVHCBOTDQ-SNVBAGLBSA-N 1 2 283.328 -1.124 20 0 CAADLO CNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)NC(C)=O)C2 ZINC001110264970 781716098 /nfs/dbraw/zinc/71/60/98/781716098.db2.gz BDUQUZVSAKZXJX-GMNPVEAJSA-N 1 2 296.371 -1.022 20 0 CAADLO CNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)NC(C)=O)C2 ZINC001110264970 781716102 /nfs/dbraw/zinc/71/61/02/781716102.db2.gz BDUQUZVSAKZXJX-GMNPVEAJSA-N 1 2 296.371 -1.022 20 0 CAADLO COC(=O)[C@@H]1C[N@H+](C)CCN1C(=O)[C@H]1C[C@@H]1C(N)=O ZINC001182382037 781719102 /nfs/dbraw/zinc/71/91/02/781719102.db2.gz UGIVLJVAZOQUDG-CIUDSAMLSA-N 1 2 269.301 -1.577 20 0 CAADLO COC(=O)[C@@H]1C[N@@H+](C)CCN1C(=O)[C@H]1C[C@@H]1C(N)=O ZINC001182382037 781719104 /nfs/dbraw/zinc/71/91/04/781719104.db2.gz UGIVLJVAZOQUDG-CIUDSAMLSA-N 1 2 269.301 -1.577 20 0 CAADLO NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H](CO)Cc1c[nH]c[nH+]1 ZINC001182385074 781719564 /nfs/dbraw/zinc/71/95/64/781719564.db2.gz KHQVJVWRYJAIOP-HLTSFMKQSA-N 1 2 252.274 -1.449 20 0 CAADLO NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H](CO)Cc1c[nH+]c[nH]1 ZINC001182385074 781719569 /nfs/dbraw/zinc/71/95/69/781719569.db2.gz KHQVJVWRYJAIOP-HLTSFMKQSA-N 1 2 252.274 -1.449 20 0 CAADLO COC(=O)[C@@H]1C[N@H+](C)CCN1C(=O)[C@@H]1C[C@H]1C(N)=O ZINC001182382038 781719701 /nfs/dbraw/zinc/71/97/01/781719701.db2.gz UGIVLJVAZOQUDG-HLTSFMKQSA-N 1 2 269.301 -1.577 20 0 CAADLO COC(=O)[C@@H]1C[N@@H+](C)CCN1C(=O)[C@@H]1C[C@H]1C(N)=O ZINC001182382038 781719707 /nfs/dbraw/zinc/71/97/07/781719707.db2.gz UGIVLJVAZOQUDG-HLTSFMKQSA-N 1 2 269.301 -1.577 20 0 CAADLO COC(=O)[C@@H]1C[N@H+](C)CCN1C(=O)[C@@H]1C[C@@H]1C(N)=O ZINC001182382040 781719832 /nfs/dbraw/zinc/71/98/32/781719832.db2.gz UGIVLJVAZOQUDG-YIZRAAEISA-N 1 2 269.301 -1.577 20 0 CAADLO COC(=O)[C@@H]1C[N@@H+](C)CCN1C(=O)[C@@H]1C[C@@H]1C(N)=O ZINC001182382040 781719837 /nfs/dbraw/zinc/71/98/37/781719837.db2.gz UGIVLJVAZOQUDG-YIZRAAEISA-N 1 2 269.301 -1.577 20 0 CAADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@H]1C[C@@H]1C(N)=O ZINC001182390899 781721362 /nfs/dbraw/zinc/72/13/62/781721362.db2.gz LJFGVFPXQOZCED-UTLUCORTSA-N 1 2 255.318 -1.055 20 0 CAADLO C[C@@H]1COCC[N@H+]1CCNC(=O)[C@H]1C[C@@H]1C(N)=O ZINC001182390899 781721367 /nfs/dbraw/zinc/72/13/67/781721367.db2.gz LJFGVFPXQOZCED-UTLUCORTSA-N 1 2 255.318 -1.055 20 0 CAADLO COC(=O)[C@H](Cc1c[nH+]cn1C)NC(=O)[C@H]1C[C@@H]1C(N)=O ZINC001182393981 781722004 /nfs/dbraw/zinc/72/20/04/781722004.db2.gz YGVUBSICCYYAMO-GUBZILKMSA-N 1 2 294.311 -1.258 20 0 CAADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001182390897 781722149 /nfs/dbraw/zinc/72/21/49/781722149.db2.gz LJFGVFPXQOZCED-BBBLOLIVSA-N 1 2 255.318 -1.055 20 0 CAADLO C[C@@H]1COCC[N@H+]1CCNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001182390897 781722150 /nfs/dbraw/zinc/72/21/50/781722150.db2.gz LJFGVFPXQOZCED-BBBLOLIVSA-N 1 2 255.318 -1.055 20 0 CAADLO COC(=O)[C@H](Cc1c[nH+]cn1C)NC(=O)[C@H]1C[C@H]1C(N)=O ZINC001182393982 781722154 /nfs/dbraw/zinc/72/21/54/781722154.db2.gz YGVUBSICCYYAMO-UTLUCORTSA-N 1 2 294.311 -1.258 20 0 CAADLO CC(=O)N(C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(N)=O ZINC001110304355 781723084 /nfs/dbraw/zinc/72/30/84/781723084.db2.gz ZDBDLJTWNRKUGE-MXWKQRLJSA-N 1 2 282.344 -1.329 20 0 CAADLO CC(=O)N(C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(N)=O ZINC001110304355 781723086 /nfs/dbraw/zinc/72/30/86/781723086.db2.gz ZDBDLJTWNRKUGE-MXWKQRLJSA-N 1 2 282.344 -1.329 20 0 CAADLO [NH3+][C@@H]1NCN(C(=O)C2CS(=O)(=O)C2)[C@H]2NCN[C@@H]21 ZINC001182817290 781729142 /nfs/dbraw/zinc/72/91/42/781729142.db2.gz UKHXVFSIJYWNPD-BWZBUEFSSA-N 1 2 275.334 -3.450 20 0 CAADLO [NH3+][C@@H]1NCN(C(=O)C2CS(=O)(=O)C2)[C@@H]2NCN[C@H]21 ZINC001182817296 781729172 /nfs/dbraw/zinc/72/91/72/781729172.db2.gz UKHXVFSIJYWNPD-RNJXMRFFSA-N 1 2 275.334 -3.450 20 0 CAADLO CN(CC(=O)NCCc1cn(C)c[nH+]1)S(C)(=O)=O ZINC001182879942 781730971 /nfs/dbraw/zinc/73/09/71/781730971.db2.gz LECAWMVPDRIKLK-UHFFFAOYSA-N 1 2 274.346 -1.030 20 0 CAADLO COC(=O)[C@@H]1C[N@H+](C)CCN1C(=O)[C@H]1CCNC1=O ZINC001183001620 781733004 /nfs/dbraw/zinc/73/30/04/781733004.db2.gz MDEIXIXDOOZXRS-IUCAKERBSA-N 1 2 269.301 -1.562 20 0 CAADLO COC(=O)[C@@H]1C[N@@H+](C)CCN1C(=O)[C@H]1CCNC1=O ZINC001183001620 781733008 /nfs/dbraw/zinc/73/30/08/781733008.db2.gz MDEIXIXDOOZXRS-IUCAKERBSA-N 1 2 269.301 -1.562 20 0 CAADLO Cn1cc[nH+]c1CCNC(=O)C1CN(S(C)(=O)=O)C1 ZINC001183029122 781734585 /nfs/dbraw/zinc/73/45/85/781734585.db2.gz YMOPFSBYJYJCGK-UHFFFAOYSA-N 1 2 286.357 -1.030 20 0 CAADLO O=C(N[C@@H](CO)Cc1c[nH]c[nH+]1)[C@H]1CCNC1=O ZINC001183019441 781735433 /nfs/dbraw/zinc/73/54/33/781735433.db2.gz HFRNWSGJTQKKCS-BDAKNGLRSA-N 1 2 252.274 -1.435 20 0 CAADLO O=C(N[C@@H](CO)Cc1c[nH+]c[nH]1)[C@H]1CCNC1=O ZINC001183019441 781735436 /nfs/dbraw/zinc/73/54/36/781735436.db2.gz HFRNWSGJTQKKCS-BDAKNGLRSA-N 1 2 252.274 -1.435 20 0 CAADLO O=C(N[C@@H](CO)Cc1c[nH]c[nH+]1)[C@@H]1CCNC1=O ZINC001183019442 781735572 /nfs/dbraw/zinc/73/55/72/781735572.db2.gz HFRNWSGJTQKKCS-RKDXNWHRSA-N 1 2 252.274 -1.435 20 0 CAADLO O=C(N[C@@H](CO)Cc1c[nH+]c[nH]1)[C@@H]1CCNC1=O ZINC001183019442 781735578 /nfs/dbraw/zinc/73/55/78/781735578.db2.gz HFRNWSGJTQKKCS-RKDXNWHRSA-N 1 2 252.274 -1.435 20 0 CAADLO CNC(=O)NCC(=O)N1CC[C@@H]([NH2+]Cc2nnc(C)o2)C1 ZINC001183055043 781738685 /nfs/dbraw/zinc/73/86/85/781738685.db2.gz LTJMXAHQVKJNSN-SECBINFHSA-N 1 2 296.331 -1.002 20 0 CAADLO NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CNC(=O)C1CC1)C2 ZINC001110328089 781738804 /nfs/dbraw/zinc/73/88/04/781738804.db2.gz ZOSJRGWVTVONGK-MXWKQRLJSA-N 1 2 294.355 -1.281 20 0 CAADLO NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CNC(=O)C1CC1)C2 ZINC001110328089 781738808 /nfs/dbraw/zinc/73/88/08/781738808.db2.gz ZOSJRGWVTVONGK-MXWKQRLJSA-N 1 2 294.355 -1.281 20 0 CAADLO C[NH+]1CC(NC(=O)Cn2cc(F)c(=O)[nH]c2=O)C1 ZINC001183662427 781749428 /nfs/dbraw/zinc/74/94/28/781749428.db2.gz NCSDCXUDTBHSFC-UHFFFAOYSA-N 1 2 256.237 -1.482 20 0 CAADLO CC(=O)N[C@H](C(=O)NC[C@H]1C[N@H+](C)CCO1)[C@@H](C)O ZINC001183703133 781750707 /nfs/dbraw/zinc/75/07/07/781750707.db2.gz SDSXXJRUAYXYDI-MIMYLULJSA-N 1 2 273.333 -1.681 20 0 CAADLO CC(=O)N[C@H](C(=O)NC[C@H]1C[N@@H+](C)CCO1)[C@@H](C)O ZINC001183703133 781750711 /nfs/dbraw/zinc/75/07/11/781750711.db2.gz SDSXXJRUAYXYDI-MIMYLULJSA-N 1 2 273.333 -1.681 20 0 CAADLO CC(=O)N[C@H](C(=O)NCC1([NH+]2CCCC2)COC1)[C@@H](C)O ZINC001183703747 781751328 /nfs/dbraw/zinc/75/13/28/781751328.db2.gz YTVSKTOWHHJMEK-PWSUYJOCSA-N 1 2 299.371 -1.147 20 0 CAADLO O=C(C[C@@H]1NC(=O)CNC1=O)NCCn1cc[nH+]c1 ZINC001183713891 781751896 /nfs/dbraw/zinc/75/18/96/781751896.db2.gz CABAJNIYGCYPCY-QMMMGPOBSA-N 1 2 265.273 -1.996 20 0 CAADLO O=C(C[C@@H]1NC(=O)CNC1=O)Nc1cc[nH+]c2c1CCC2 ZINC001183718372 781752509 /nfs/dbraw/zinc/75/25/09/781752509.db2.gz NIOJERYPPWYSTO-NSHDSACASA-N 1 2 288.307 -1.065 20 0 CAADLO O=C(C[C@@H]1NC(=O)CNC1=O)N1CCc2[nH+]ccn2CC1 ZINC001183728060 781755806 /nfs/dbraw/zinc/75/58/06/781755806.db2.gz FTQDWUMLZMJBNQ-VIFPVBQESA-N 1 2 291.311 -1.728 20 0 CAADLO O=C(C[C@@H]1NC(=O)CNC1=O)NCCOc1cc[nH+]cc1 ZINC001183728715 781756418 /nfs/dbraw/zinc/75/64/18/781756418.db2.gz HQAVWRSZVRNTPC-JTQLQIEISA-N 1 2 292.295 -1.419 20 0 CAADLO CO[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC(N)=O ZINC001110341110 781758689 /nfs/dbraw/zinc/75/86/89/781758689.db2.gz BTHQGSHCCZICRJ-JLIMGVALSA-N 1 2 298.343 -1.062 20 0 CAADLO CO[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC(N)=O ZINC001110341110 781758690 /nfs/dbraw/zinc/75/86/90/781758690.db2.gz BTHQGSHCCZICRJ-JLIMGVALSA-N 1 2 298.343 -1.062 20 0 CAADLO NC(=O)[C@H](CO)NC(=O)CCc1ccc(N)[nH+]c1 ZINC001183934799 781759794 /nfs/dbraw/zinc/75/97/94/781759794.db2.gz DATKNRRJVHQONN-QMMMGPOBSA-N 1 2 252.274 -1.441 20 0 CAADLO O=C(NCC1([NH+]2CCCC2)COC1)C1(CO)COC1 ZINC001184047778 781763045 /nfs/dbraw/zinc/76/30/45/781763045.db2.gz RVUDOVPVJPIZTP-UHFFFAOYSA-N 1 2 270.329 -1.024 20 0 CAADLO O=C(N[C@@H](CO)Cc1c[nH]c[nH+]1)C1(CO)COC1 ZINC001184048010 781763257 /nfs/dbraw/zinc/76/32/57/781763257.db2.gz SPGKTACVRGBOIR-SECBINFHSA-N 1 2 255.274 -1.562 20 0 CAADLO O=C(N[C@@H](CO)Cc1c[nH+]c[nH]1)C1(CO)COC1 ZINC001184048010 781763262 /nfs/dbraw/zinc/76/32/62/781763262.db2.gz SPGKTACVRGBOIR-SECBINFHSA-N 1 2 255.274 -1.562 20 0 CAADLO CC(C)CC(=O)C(=O)N1CN[C@H]([NH3+])[C@H]2NCN[C@@H]21 ZINC001184331772 781766964 /nfs/dbraw/zinc/76/69/64/781766964.db2.gz BDOJZSHDGPAHTJ-KXUCPTDWSA-N 1 2 255.322 -1.879 20 0 CAADLO CC(=O)[C@H](C)CC(=O)N1CN[C@H]([NH3+])[C@H]2NCN[C@H]21 ZINC001184343740 781767212 /nfs/dbraw/zinc/76/72/12/781767212.db2.gz IRMWNBXXFXVPFP-MZSCQWGGSA-N 1 2 255.322 -1.879 20 0 CAADLO Cn1ncnc1C[NH2+]CCS(=O)(=O)NC1CC1 ZINC001184279232 781767630 /nfs/dbraw/zinc/76/76/30/781767630.db2.gz YOZPBMZIZYLBIH-UHFFFAOYSA-N 1 2 259.335 -1.014 20 0 CAADLO CC(=O)NCCNS(=O)(=O)N1CC[NH+](C)CC1 ZINC001184724933 781769612 /nfs/dbraw/zinc/76/96/12/781769612.db2.gz WCNFSWOSOLEOOZ-UHFFFAOYSA-N 1 2 264.351 -1.796 20 0 CAADLO CC(=O)c1ccnc(C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@H]32)c1 ZINC001184866572 781771004 /nfs/dbraw/zinc/77/10/04/781771004.db2.gz DSFIZIGVHICKGZ-WOPDTQHZSA-N 1 2 290.327 -1.583 20 0 CAADLO CC(=O)c1ccnc(C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@@H]32)c1 ZINC001184866570 781772060 /nfs/dbraw/zinc/77/20/60/781772060.db2.gz DSFIZIGVHICKGZ-SDDRHHMPSA-N 1 2 290.327 -1.583 20 0 CAADLO CN1CC[N@H+](C)C[C@@H]1C(=O)Nc1cn[nH]c1C(N)=O ZINC001185245400 781775859 /nfs/dbraw/zinc/77/58/59/781775859.db2.gz VECHIOYDYVTWRR-MRVPVSSYSA-N 1 2 266.305 -1.307 20 0 CAADLO CN1CC[N@@H+](C)C[C@@H]1C(=O)Nc1cn[nH]c1C(N)=O ZINC001185245400 781775865 /nfs/dbraw/zinc/77/58/65/781775865.db2.gz VECHIOYDYVTWRR-MRVPVSSYSA-N 1 2 266.305 -1.307 20 0 CAADLO C[C@@H]1CN(C(=O)Cc2ncn[nH]2)CC[C@@H]1C[NH2+]CC(N)=O ZINC001185460661 781785193 /nfs/dbraw/zinc/78/51/93/781785193.db2.gz URNAXMUKDWZLRA-NXEZZACHSA-N 1 2 294.359 -1.093 20 0 CAADLO C[C@H]1CN(C(=O)Cc2ncn[nH]2)CC[C@H]1C[NH2+]CC(N)=O ZINC001185460668 781785322 /nfs/dbraw/zinc/78/53/22/781785322.db2.gz URNAXMUKDWZLRA-UWVGGRQHSA-N 1 2 294.359 -1.093 20 0 CAADLO Cn1[nH]c(CN[C@@H]2CCN(C(=O)CC[NH+](C)C)C2)nc1=O ZINC001185408752 781786070 /nfs/dbraw/zinc/78/60/70/781786070.db2.gz YGVNZGBRNLBZRY-SNVBAGLBSA-N 1 2 296.375 -1.249 20 0 CAADLO COCC[NH+]1CC2(C1)COCC(=O)N2C[C@H]1CCC(=O)N1 ZINC001273507832 781788026 /nfs/dbraw/zinc/78/80/26/781788026.db2.gz AFVOLGBYBXCENU-LLVKDONJSA-N 1 2 297.355 -1.175 20 0 CAADLO COCC[NH+]1CC2(C1)COCC(=O)N2C[C@@H]1CCC(=O)N1 ZINC001273507834 781788632 /nfs/dbraw/zinc/78/86/32/781788632.db2.gz AFVOLGBYBXCENU-NSHDSACASA-N 1 2 297.355 -1.175 20 0 CAADLO COCC[NH+]1CC2(C1)COCC(=O)N2C1COC1 ZINC001273509620 781789675 /nfs/dbraw/zinc/78/96/75/781789675.db2.gz XCSYGMSGKGTRSE-UHFFFAOYSA-N 1 2 256.302 -1.055 20 0 CAADLO CCOC(=O)N[C@@H](CC(N)=O)C(=O)NC1C[NH+](C)C1 ZINC001185873817 781789707 /nfs/dbraw/zinc/78/97/07/781789707.db2.gz ZGEZYCJABQHFME-QMMMGPOBSA-N 1 2 272.305 -1.593 20 0 CAADLO COCC[NH+]1CC2(C1)COCC(=O)N2Cc1nncn1C ZINC001273509537 781789795 /nfs/dbraw/zinc/78/97/95/781789795.db2.gz WLIDVMVVZDRMOT-UHFFFAOYSA-N 1 2 295.343 -1.125 20 0 CAADLO NC(=O)C(=O)N1CCC[C@@H](n2cc(C[NH2+]CCF)nn2)C1 ZINC001185993082 781791968 /nfs/dbraw/zinc/79/19/68/781791968.db2.gz VPEYIOKOZHKQPL-SNVBAGLBSA-N 1 2 298.322 -1.014 20 0 CAADLO NC(=O)c1n[nH]cc1NC(=O)C[N@@H+]1CC[C@@H](O)C1 ZINC001186033189 781792098 /nfs/dbraw/zinc/79/20/98/781792098.db2.gz DYODSGNABSCXTO-ZCFIWIBFSA-N 1 2 253.262 -1.486 20 0 CAADLO NC(=O)c1n[nH]cc1NC(=O)C[N@H+]1CC[C@@H](O)C1 ZINC001186033189 781792103 /nfs/dbraw/zinc/79/21/03/781792103.db2.gz DYODSGNABSCXTO-ZCFIWIBFSA-N 1 2 253.262 -1.486 20 0 CAADLO O=C(C[N@H+]1CC[C@@H](O)C1)N[C@@H]1COCCC12OCCO2 ZINC001186048361 781795855 /nfs/dbraw/zinc/79/58/55/781795855.db2.gz GQXVBVACOBWGLQ-GHMZBOCLSA-N 1 2 286.328 -1.299 20 0 CAADLO O=C(C[N@@H+]1CC[C@@H](O)C1)N[C@@H]1COCCC12OCCO2 ZINC001186048361 781795858 /nfs/dbraw/zinc/79/58/58/781795858.db2.gz GQXVBVACOBWGLQ-GHMZBOCLSA-N 1 2 286.328 -1.299 20 0 CAADLO O=C(C[N@H+]1CC[C@H](O)C1)N[C@H]1CCC(=O)NC1=O ZINC001186049096 781796671 /nfs/dbraw/zinc/79/66/71/781796671.db2.gz JZNDHDZLYDLDKO-YUMQZZPRSA-N 1 2 255.274 -2.026 20 0 CAADLO O=C(C[N@@H+]1CC[C@H](O)C1)N[C@H]1CCC(=O)NC1=O ZINC001186049096 781796680 /nfs/dbraw/zinc/79/66/80/781796680.db2.gz JZNDHDZLYDLDKO-YUMQZZPRSA-N 1 2 255.274 -2.026 20 0 CAADLO CN1CCC[C@H](NC(=O)C[N@@H+]2CC[C@H](O)C2)C1=O ZINC001186055930 781797717 /nfs/dbraw/zinc/79/77/17/781797717.db2.gz WIFPHJZJNRUUCS-UWVGGRQHSA-N 1 2 255.318 -1.210 20 0 CAADLO CN1CCC[C@H](NC(=O)C[N@H+]2CC[C@H](O)C2)C1=O ZINC001186055930 781797726 /nfs/dbraw/zinc/79/77/26/781797726.db2.gz WIFPHJZJNRUUCS-UWVGGRQHSA-N 1 2 255.318 -1.210 20 0 CAADLO COC(=O)CC[C@H](NC(=O)C[N@@H+]1CC[C@H](O)C1)C(N)=O ZINC001186057405 781797806 /nfs/dbraw/zinc/79/78/06/781797806.db2.gz KWPKLXVUKRWREK-IUCAKERBSA-N 1 2 287.316 -2.024 20 0 CAADLO COC(=O)CC[C@H](NC(=O)C[N@H+]1CC[C@H](O)C1)C(N)=O ZINC001186057405 781797812 /nfs/dbraw/zinc/79/78/12/781797812.db2.gz KWPKLXVUKRWREK-IUCAKERBSA-N 1 2 287.316 -2.024 20 0 CAADLO O=C(C[N@H+]1CC[C@H](O)C1)Nc1[nH]c(=O)nc2[nH]c(=O)[nH]c21 ZINC001186054688 781798555 /nfs/dbraw/zinc/79/85/55/781798555.db2.gz GNCQYJIDJQJPPJ-YFKPBYRVSA-N 1 2 294.271 -1.279 20 0 CAADLO O=C(C[N@@H+]1CC[C@H](O)C1)Nc1[nH]c(=O)nc2[nH]c(=O)[nH]c21 ZINC001186054688 781798560 /nfs/dbraw/zinc/79/85/60/781798560.db2.gz GNCQYJIDJQJPPJ-YFKPBYRVSA-N 1 2 294.271 -1.279 20 0 CAADLO COC(=O)[C@H]1CC[N@H+](CC(=O)NCc2nc[nH]n2)C1 ZINC001186115577 781801712 /nfs/dbraw/zinc/80/17/12/781801712.db2.gz DMGKORQURLOXTD-QMMMGPOBSA-N 1 2 267.289 -1.084 20 0 CAADLO COC(=O)[C@H]1CC[N@@H+](CC(=O)NCc2nc[nH]n2)C1 ZINC001186115577 781801718 /nfs/dbraw/zinc/80/17/18/781801718.db2.gz DMGKORQURLOXTD-QMMMGPOBSA-N 1 2 267.289 -1.084 20 0 CAADLO COC(=O)[C@H]1CC[N@H+](CC(=O)NCc2nnc[nH]2)C1 ZINC001186115577 781801727 /nfs/dbraw/zinc/80/17/27/781801727.db2.gz DMGKORQURLOXTD-QMMMGPOBSA-N 1 2 267.289 -1.084 20 0 CAADLO COC(=O)[C@H]1CC[N@@H+](CC(=O)NCc2nnc[nH]2)C1 ZINC001186115577 781801739 /nfs/dbraw/zinc/80/17/39/781801739.db2.gz DMGKORQURLOXTD-QMMMGPOBSA-N 1 2 267.289 -1.084 20 0 CAADLO COC(=O)[C@H]1CC[N@H+](CC(=O)NCc2cn[nH]n2)C1 ZINC001186115976 781801940 /nfs/dbraw/zinc/80/19/40/781801940.db2.gz RFXHLBFZZXHHGS-QMMMGPOBSA-N 1 2 267.289 -1.084 20 0 CAADLO COC(=O)[C@H]1CC[N@@H+](CC(=O)NCc2cn[nH]n2)C1 ZINC001186115976 781801946 /nfs/dbraw/zinc/80/19/46/781801946.db2.gz RFXHLBFZZXHHGS-QMMMGPOBSA-N 1 2 267.289 -1.084 20 0 CAADLO COC(=O)[C@H]1CC[N@H+](CC(=O)NCc2c[nH]nn2)C1 ZINC001186115976 781801953 /nfs/dbraw/zinc/80/19/53/781801953.db2.gz RFXHLBFZZXHHGS-QMMMGPOBSA-N 1 2 267.289 -1.084 20 0 CAADLO COC(=O)[C@H]1CC[N@@H+](CC(=O)NCc2c[nH]nn2)C1 ZINC001186115976 781801961 /nfs/dbraw/zinc/80/19/61/781801961.db2.gz RFXHLBFZZXHHGS-QMMMGPOBSA-N 1 2 267.289 -1.084 20 0 CAADLO [NH3+][C@@H]1NCN(C(=O)c2ccc(O)c(F)c2)[C@@H]2NCN[C@@H]21 ZINC001186241938 781803900 /nfs/dbraw/zinc/80/39/00/781803900.db2.gz GFOXDGPZHOMFQR-MXWKQRLJSA-N 1 2 281.291 -1.336 20 0 CAADLO [NH3+][C@@H]1NCN(C(=O)c2ccc(O)cc2F)[C@H]2NCN[C@H]21 ZINC001186348008 781804942 /nfs/dbraw/zinc/80/49/42/781804942.db2.gz GPMMEXWCZGRUDG-HBNTYKKESA-N 1 2 281.291 -1.336 20 0 CAADLO [NH3+][C@@H]1NCN(C(=O)c2ccc(O)c(F)c2)[C@H]2NCN[C@@H]21 ZINC001186241934 781805022 /nfs/dbraw/zinc/80/50/22/781805022.db2.gz GFOXDGPZHOMFQR-GMTAPVOTSA-N 1 2 281.291 -1.336 20 0 CAADLO [NH3+][C@@H]1NCN(C(=O)c2ccc(O)cc2F)[C@@H]2NCN[C@@H]21 ZINC001186348109 781805290 /nfs/dbraw/zinc/80/52/90/781805290.db2.gz GPMMEXWCZGRUDG-MXWKQRLJSA-N 1 2 281.291 -1.336 20 0 CAADLO COC[C@H](C(=O)OC)N1C(=O)COCC12C[NH+](C)C2 ZINC001273524813 781810661 /nfs/dbraw/zinc/81/06/61/781810661.db2.gz JHSYXJSCEGBLBL-SECBINFHSA-N 1 2 272.301 -1.283 20 0 CAADLO CS(=O)(=O)NCCNS(=O)(=O)CCn1cc[nH+]c1 ZINC001186661087 781810946 /nfs/dbraw/zinc/81/09/46/781810946.db2.gz IKBBELNJCLKICJ-UHFFFAOYSA-N 1 2 296.374 -1.648 20 0 CAADLO C[NH+]1CC2(C1)COCC(=O)N2CCN1CCOCC1 ZINC001273524792 781811052 /nfs/dbraw/zinc/81/10/52/781811052.db2.gz IJKFYZAOGDQVCH-UHFFFAOYSA-N 1 2 269.345 -1.138 20 0 CAADLO [NH3+][C@@H]1NCN(C(=O)CN2CCC(=O)C2)[C@H]2NCN[C@H]21 ZINC001187337300 781818857 /nfs/dbraw/zinc/81/88/57/781818857.db2.gz KSIWUUKNJDLQOX-HBNTYKKESA-N 1 2 268.321 -3.220 20 0 CAADLO CCC(=O)NCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(N)=O ZINC001110393207 781821624 /nfs/dbraw/zinc/82/16/24/781821624.db2.gz BIRCZQMLWYVGAD-BBBLOLIVSA-N 1 2 282.344 -1.281 20 0 CAADLO CCC(=O)NCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(N)=O ZINC001110393207 781821633 /nfs/dbraw/zinc/82/16/33/781821633.db2.gz BIRCZQMLWYVGAD-BBBLOLIVSA-N 1 2 282.344 -1.281 20 0 CAADLO O=C(CNC(=O)[C@@H]1CCC(=O)N1)NCCn1cc[nH+]c1 ZINC001187512020 781821958 /nfs/dbraw/zinc/82/19/58/781821958.db2.gz ZAPSVECSJVOFNY-VIFPVBQESA-N 1 2 279.300 -1.606 20 0 CAADLO [NH3+][C@@H]1NCN(C(=O)C2(C(=O)C3CC3)CC2)[C@@H]2NCN[C@@H]21 ZINC001187652191 781826660 /nfs/dbraw/zinc/82/66/60/781826660.db2.gz CYIWSKYGORVFGC-IEBDPFPHSA-N 1 2 279.344 -1.735 20 0 CAADLO O=C(NCC[NH2+]Cc1cnon1)[C@@H]1CCCS1(=O)=O ZINC001151683702 781836216 /nfs/dbraw/zinc/83/62/16/781836216.db2.gz GBJMKNQFNOEXCV-VIFPVBQESA-N 1 2 288.329 -1.147 20 0 CAADLO Cn1nncc1C[N@H+](C)[C@@H]1CCN(C(=O)CNC(N)=O)C1 ZINC001188829536 781845805 /nfs/dbraw/zinc/84/58/05/781845805.db2.gz VWVSGHSYZOTCCV-SECBINFHSA-N 1 2 295.347 -1.484 20 0 CAADLO Cn1nncc1C[N@@H+](C)[C@@H]1CCN(C(=O)CNC(N)=O)C1 ZINC001188829536 781845821 /nfs/dbraw/zinc/84/58/21/781845821.db2.gz VWVSGHSYZOTCCV-SECBINFHSA-N 1 2 295.347 -1.484 20 0 CAADLO NC(=O)C(=O)N1CC[C@H]2C[N@H+](CC(=O)NCC3CC3)C[C@H]21 ZINC001188985710 781849046 /nfs/dbraw/zinc/84/90/46/781849046.db2.gz RNXBIDQAOBWFIL-WDEREUQCSA-N 1 2 294.355 -1.469 20 0 CAADLO NC(=O)C(=O)N1CC[C@H]2C[N@@H+](CC(=O)NCC3CC3)C[C@H]21 ZINC001188985710 781849051 /nfs/dbraw/zinc/84/90/51/781849051.db2.gz RNXBIDQAOBWFIL-WDEREUQCSA-N 1 2 294.355 -1.469 20 0 CAADLO Cn1c(=O)cc(C(=O)NC[C@H]2C[N@H+](C)CCO2)n(C)c1=O ZINC001189436886 781856785 /nfs/dbraw/zinc/85/67/85/781856785.db2.gz ITHZEKUZFKXGLH-VIFPVBQESA-N 1 2 296.327 -1.856 20 0 CAADLO Cn1c(=O)cc(C(=O)NC[C@H]2C[N@@H+](C)CCO2)n(C)c1=O ZINC001189436886 781856800 /nfs/dbraw/zinc/85/68/00/781856800.db2.gz ITHZEKUZFKXGLH-VIFPVBQESA-N 1 2 296.327 -1.856 20 0 CAADLO Cn1c[nH+]c(CCNC(=O)c2cc(=O)n(C)c(=O)n2C)c1 ZINC001189437629 781858186 /nfs/dbraw/zinc/85/81/86/781858186.db2.gz UFBIHCNWBPSHQS-UHFFFAOYSA-N 1 2 291.311 -1.210 20 0 CAADLO NC(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC(N)=O ZINC001110414802 781862742 /nfs/dbraw/zinc/86/27/42/781862742.db2.gz IXRBJGFHYIKJGY-PRJMDXOYSA-N 1 2 297.315 -2.222 20 0 CAADLO NC(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC(N)=O ZINC001110414802 781862746 /nfs/dbraw/zinc/86/27/46/781862746.db2.gz IXRBJGFHYIKJGY-PRJMDXOYSA-N 1 2 297.315 -2.222 20 0 CAADLO CNC(=O)CC(=O)N1CC[C@@H]([N@H+](C)Cc2cnnn2C)C1 ZINC001189837709 781866178 /nfs/dbraw/zinc/86/61/78/781866178.db2.gz TXOJFNYWJPVPBH-SNVBAGLBSA-N 1 2 294.359 -1.016 20 0 CAADLO CNC(=O)CC(=O)N1CC[C@@H]([N@@H+](C)Cc2cnnn2C)C1 ZINC001189837709 781866183 /nfs/dbraw/zinc/86/61/83/781866183.db2.gz TXOJFNYWJPVPBH-SNVBAGLBSA-N 1 2 294.359 -1.016 20 0 CAADLO CCS(=O)(=O)CC(=O)N1CC[C@H]2C[N@H+](CCO)C[C@H]21 ZINC001190363271 781872600 /nfs/dbraw/zinc/87/26/00/781872600.db2.gz GCTHPXAKVOJQQW-WDEREUQCSA-N 1 2 290.385 -1.054 20 0 CAADLO CCS(=O)(=O)CC(=O)N1CC[C@H]2C[N@@H+](CCO)C[C@H]21 ZINC001190363271 781872611 /nfs/dbraw/zinc/87/26/11/781872611.db2.gz GCTHPXAKVOJQQW-WDEREUQCSA-N 1 2 290.385 -1.054 20 0 CAADLO CCC(=O)N[C@@H]1C[N@H+](CCNS(=O)(=O)CC)C[C@H]1O ZINC001190551200 781874461 /nfs/dbraw/zinc/87/44/61/781874461.db2.gz OZDZQFZPHWIOSV-NXEZZACHSA-N 1 2 293.389 -1.503 20 0 CAADLO CCC(=O)N[C@@H]1C[N@@H+](CCNS(=O)(=O)CC)C[C@H]1O ZINC001190551200 781874472 /nfs/dbraw/zinc/87/44/72/781874472.db2.gz OZDZQFZPHWIOSV-NXEZZACHSA-N 1 2 293.389 -1.503 20 0 CAADLO CCS(=O)(=O)NCC[N@@H+]1C[C@@H](O)[C@H](NC(C)=O)C1 ZINC001190572405 781874643 /nfs/dbraw/zinc/87/46/43/781874643.db2.gz DSVLWSXQWHWNEP-NXEZZACHSA-N 1 2 279.362 -1.893 20 0 CAADLO CCS(=O)(=O)NCC[N@H+]1C[C@@H](O)[C@H](NC(C)=O)C1 ZINC001190572405 781874650 /nfs/dbraw/zinc/87/46/50/781874650.db2.gz DSVLWSXQWHWNEP-NXEZZACHSA-N 1 2 279.362 -1.893 20 0 CAADLO CCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC(N)=O)C[C@H]1O ZINC001190561367 781875091 /nfs/dbraw/zinc/87/50/91/781875091.db2.gz PAZVAZGTNACLLP-XLPZGREQSA-N 1 2 272.305 -1.859 20 0 CAADLO CCC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)NC(N)=O)C[C@H]1O ZINC001190561367 781875102 /nfs/dbraw/zinc/87/51/02/781875102.db2.gz PAZVAZGTNACLLP-XLPZGREQSA-N 1 2 272.305 -1.859 20 0 CAADLO COCCC(=O)N[C@@H]1C[N@H+](CC(=O)N(C)C2CC2)C[C@H]1O ZINC001190610054 781878632 /nfs/dbraw/zinc/87/86/32/781878632.db2.gz MHSUGXMLKCLVRG-VXGBXAGGSA-N 1 2 299.371 -1.195 20 0 CAADLO COCCC(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)C2CC2)C[C@H]1O ZINC001190610054 781878636 /nfs/dbraw/zinc/87/86/36/781878636.db2.gz MHSUGXMLKCLVRG-VXGBXAGGSA-N 1 2 299.371 -1.195 20 0 CAADLO COCCC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(N)=O)C[C@H]1O ZINC001190610499 781878784 /nfs/dbraw/zinc/87/87/84/781878784.db2.gz VUYCQMASCGJFMW-IWSPIJDZSA-N 1 2 259.306 -1.942 20 0 CAADLO COCCC(=O)N[C@@H]1C[N@H+]([C@H](C)C(N)=O)C[C@H]1O ZINC001190610499 781878793 /nfs/dbraw/zinc/87/87/93/781878793.db2.gz VUYCQMASCGJFMW-IWSPIJDZSA-N 1 2 259.306 -1.942 20 0 CAADLO COCC(=O)N[C@@H]1C[N@H+](CC(=O)N(C)C(C)C)C[C@H]1O ZINC001190592980 781878826 /nfs/dbraw/zinc/87/88/26/781878826.db2.gz BPOVYEQZYPHNCG-GHMZBOCLSA-N 1 2 287.360 -1.339 20 0 CAADLO COCC(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)C(C)C)C[C@H]1O ZINC001190592980 781878836 /nfs/dbraw/zinc/87/88/36/781878836.db2.gz BPOVYEQZYPHNCG-GHMZBOCLSA-N 1 2 287.360 -1.339 20 0 CAADLO COCC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@H]1O ZINC001190594914 781879225 /nfs/dbraw/zinc/87/92/25/781879225.db2.gz YKBRDRAIYAXUGL-IWSPIJDZSA-N 1 2 257.290 -2.317 20 0 CAADLO COCC(=O)N[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@H]1O ZINC001190594914 781879232 /nfs/dbraw/zinc/87/92/32/781879232.db2.gz YKBRDRAIYAXUGL-IWSPIJDZSA-N 1 2 257.290 -2.317 20 0 CAADLO CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(C)=O)C1 ZINC001190609524 781879473 /nfs/dbraw/zinc/87/94/73/781879473.db2.gz DVGDKCUSRRINCA-SZEHBUNVSA-N 1 2 286.332 -1.598 20 0 CAADLO CCNC(=O)NC(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(C)=O)C1 ZINC001190609524 781879479 /nfs/dbraw/zinc/87/94/79/781879479.db2.gz DVGDKCUSRRINCA-SZEHBUNVSA-N 1 2 286.332 -1.598 20 0 CAADLO CCNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(C)=O)C1 ZINC001190609522 781879833 /nfs/dbraw/zinc/87/98/33/781879833.db2.gz DVGDKCUSRRINCA-FXBDTBDDSA-N 1 2 286.332 -1.598 20 0 CAADLO CCNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(C)=O)C1 ZINC001190609522 781879841 /nfs/dbraw/zinc/87/98/41/781879841.db2.gz DVGDKCUSRRINCA-FXBDTBDDSA-N 1 2 286.332 -1.598 20 0 CAADLO C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2CCC2)C1 ZINC001190601509 781879896 /nfs/dbraw/zinc/87/98/96/781879896.db2.gz LVBDHJVTIQZLFO-SZEHBUNVSA-N 1 2 298.343 -1.469 20 0 CAADLO C[C@H](C(=O)NC(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)C2CCC2)C1 ZINC001190601509 781879901 /nfs/dbraw/zinc/87/99/01/781879901.db2.gz LVBDHJVTIQZLFO-SZEHBUNVSA-N 1 2 298.343 -1.469 20 0 CAADLO COCCC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@H]1O ZINC001190633295 781880657 /nfs/dbraw/zinc/88/06/57/781880657.db2.gz HAVOKOSJXDNMNM-OPRDCNLKSA-N 1 2 271.317 -1.927 20 0 CAADLO COCCC(=O)N[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@H]1O ZINC001190633295 781880669 /nfs/dbraw/zinc/88/06/69/781880669.db2.gz HAVOKOSJXDNMNM-OPRDCNLKSA-N 1 2 271.317 -1.927 20 0 CAADLO CCN1CC[C@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)COC)C2)C1=O ZINC001190645565 781880783 /nfs/dbraw/zinc/88/07/83/781880783.db2.gz PJXPNLBCZMBXKM-OUAUKWLOSA-N 1 2 285.344 -1.585 20 0 CAADLO CCN1CC[C@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)COC)C2)C1=O ZINC001190645565 781880790 /nfs/dbraw/zinc/88/07/90/781880790.db2.gz PJXPNLBCZMBXKM-OUAUKWLOSA-N 1 2 285.344 -1.585 20 0 CAADLO CCNC(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCOC)C1 ZINC001190634035 781880818 /nfs/dbraw/zinc/88/08/18/781880818.db2.gz RHIXUFBBHGBVFH-NXEZZACHSA-N 1 2 273.333 -1.680 20 0 CAADLO CCNC(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCOC)C1 ZINC001190634035 781880825 /nfs/dbraw/zinc/88/08/25/781880825.db2.gz RHIXUFBBHGBVFH-NXEZZACHSA-N 1 2 273.333 -1.680 20 0 CAADLO COCCC(=O)N[C@@H]1C[N@@H+]([C@H]2CCCNC2=O)C[C@H]1O ZINC001190633841 781881075 /nfs/dbraw/zinc/88/10/75/781881075.db2.gz MQZRIQUEEHEWPL-OUAUKWLOSA-N 1 2 285.344 -1.537 20 0 CAADLO COCCC(=O)N[C@@H]1C[N@H+]([C@H]2CCCNC2=O)C[C@H]1O ZINC001190633841 781881085 /nfs/dbraw/zinc/88/10/85/781881085.db2.gz MQZRIQUEEHEWPL-OUAUKWLOSA-N 1 2 285.344 -1.537 20 0 CAADLO COCC(=O)N[C@@H]1C[N@@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1O ZINC001190639112 781881133 /nfs/dbraw/zinc/88/11/33/781881133.db2.gz NTNFYJFVLMSIQL-HRDYMLBCSA-N 1 2 285.300 -2.401 20 0 CAADLO COCC(=O)N[C@@H]1C[N@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1O ZINC001190639112 781881136 /nfs/dbraw/zinc/88/11/36/781881136.db2.gz NTNFYJFVLMSIQL-HRDYMLBCSA-N 1 2 285.300 -2.401 20 0 CAADLO CCN1CC[C@@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)COC)C2)C1=O ZINC001190645564 781881663 /nfs/dbraw/zinc/88/16/63/781881663.db2.gz PJXPNLBCZMBXKM-GMTAPVOTSA-N 1 2 285.344 -1.585 20 0 CAADLO CCN1CC[C@@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)COC)C2)C1=O ZINC001190645564 781881670 /nfs/dbraw/zinc/88/16/70/781881670.db2.gz PJXPNLBCZMBXKM-GMTAPVOTSA-N 1 2 285.344 -1.585 20 0 CAADLO CCN(C)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCOC)C1 ZINC001190627455 781881756 /nfs/dbraw/zinc/88/17/56/781881756.db2.gz UOTRXQRKHRNZHH-GHMZBOCLSA-N 1 2 287.360 -1.338 20 0 CAADLO CCN(C)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCOC)C1 ZINC001190627455 781881764 /nfs/dbraw/zinc/88/17/64/781881764.db2.gz UOTRXQRKHRNZHH-GHMZBOCLSA-N 1 2 287.360 -1.338 20 0 CAADLO COCC(=O)N[C@@H]1C[N@@H+]([C@H]2CCN(C)C2=O)C[C@H]1O ZINC001190645098 781881784 /nfs/dbraw/zinc/88/17/84/781881784.db2.gz FRTIUZGIVNUNEG-KXUCPTDWSA-N 1 2 271.317 -1.975 20 0 CAADLO COCC(=O)N[C@@H]1C[N@H+]([C@H]2CCN(C)C2=O)C[C@H]1O ZINC001190645098 781881790 /nfs/dbraw/zinc/88/17/90/781881790.db2.gz FRTIUZGIVNUNEG-KXUCPTDWSA-N 1 2 271.317 -1.975 20 0 CAADLO CC(=O)NCC(=O)N[C@@H]1C[N@H+](Cc2conc2C)C[C@H]1O ZINC001190709629 781882475 /nfs/dbraw/zinc/88/24/75/781882475.db2.gz UVWGZCGXDAUVKJ-VXGBXAGGSA-N 1 2 296.327 -1.220 20 0 CAADLO CC(=O)NCC(=O)N[C@@H]1C[N@@H+](Cc2conc2C)C[C@H]1O ZINC001190709629 781882481 /nfs/dbraw/zinc/88/24/81/781882481.db2.gz UVWGZCGXDAUVKJ-VXGBXAGGSA-N 1 2 296.327 -1.220 20 0 CAADLO CC(=O)NCC(=O)N[C@@H]1C[N@@H+]([C@H]2CCCNC2=O)C[C@H]1O ZINC001190709130 781882632 /nfs/dbraw/zinc/88/26/32/781882632.db2.gz DEXMTMRSSKZYNO-OUAUKWLOSA-N 1 2 298.343 -2.438 20 0 CAADLO CC(=O)NCC(=O)N[C@@H]1C[N@H+]([C@H]2CCCNC2=O)C[C@H]1O ZINC001190709130 781882639 /nfs/dbraw/zinc/88/26/39/781882639.db2.gz DEXMTMRSSKZYNO-OUAUKWLOSA-N 1 2 298.343 -2.438 20 0 CAADLO CCCNC(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)COC)C1 ZINC001190652039 781883043 /nfs/dbraw/zinc/88/30/43/781883043.db2.gz UGEVDMRPNHNYRE-HBNTYKKESA-N 1 2 287.360 -1.291 20 0 CAADLO CCCNC(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)COC)C1 ZINC001190652039 781883049 /nfs/dbraw/zinc/88/30/49/781883049.db2.gz UGEVDMRPNHNYRE-HBNTYKKESA-N 1 2 287.360 -1.291 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)COC)C1 ZINC001190646174 781883487 /nfs/dbraw/zinc/88/34/87/781883487.db2.gz XZRWMNJOOGGURO-DJLDLDEBSA-N 1 2 259.306 -2.071 20 0 CAADLO CNC(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)COC)C1 ZINC001190646174 781883493 /nfs/dbraw/zinc/88/34/93/781883493.db2.gz XZRWMNJOOGGURO-DJLDLDEBSA-N 1 2 259.306 -2.071 20 0 CAADLO COCC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCN(C(C)C)C2=O)C[C@H]1O ZINC001190646015 781883956 /nfs/dbraw/zinc/88/39/56/781883956.db2.gz VILKUHAXLSGCGJ-IJLUTSLNSA-N 1 2 299.371 -1.197 20 0 CAADLO COCC(=O)N[C@@H]1C[N@H+]([C@@H]2CCN(C(C)C)C2=O)C[C@H]1O ZINC001190646015 781883964 /nfs/dbraw/zinc/88/39/64/781883964.db2.gz VILKUHAXLSGCGJ-IJLUTSLNSA-N 1 2 299.371 -1.197 20 0 CAADLO CCCC(=O)N[C@@H]1C[N@H+](CCNS(C)(=O)=O)C[C@H]1O ZINC001190733482 781886483 /nfs/dbraw/zinc/88/64/83/781886483.db2.gz DIJVXOLJAJZYBT-NXEZZACHSA-N 1 2 293.389 -1.503 20 0 CAADLO CCCC(=O)N[C@@H]1C[N@@H+](CCNS(C)(=O)=O)C[C@H]1O ZINC001190733482 781886492 /nfs/dbraw/zinc/88/64/92/781886492.db2.gz DIJVXOLJAJZYBT-NXEZZACHSA-N 1 2 293.389 -1.503 20 0 CAADLO O=S(=O)(NCC[N@H+]1CC[C@@H](O)C1)c1ncc[nH]1 ZINC001190747804 781886880 /nfs/dbraw/zinc/88/68/80/781886880.db2.gz KTGUTZNSIFTOEG-MRVPVSSYSA-N 1 2 260.319 -1.245 20 0 CAADLO O=S(=O)(NCC[N@@H+]1CC[C@@H](O)C1)c1ncc[nH]1 ZINC001190747804 781886890 /nfs/dbraw/zinc/88/68/90/781886890.db2.gz KTGUTZNSIFTOEG-MRVPVSSYSA-N 1 2 260.319 -1.245 20 0 CAADLO CCCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC(N)=O)C[C@H]1O ZINC001190735091 781887494 /nfs/dbraw/zinc/88/74/94/781887494.db2.gz SFZFGTUISVXXRO-DJLDLDEBSA-N 1 2 286.332 -1.469 20 0 CAADLO CCCC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)NC(N)=O)C[C@H]1O ZINC001190735091 781887500 /nfs/dbraw/zinc/88/75/00/781887500.db2.gz SFZFGTUISVXXRO-DJLDLDEBSA-N 1 2 286.332 -1.469 20 0 CAADLO CCOCC(=O)N[C@@H]1C[N@@H+]([C@H](CC)C(N)=O)C[C@H]1O ZINC001190833193 781888194 /nfs/dbraw/zinc/88/81/94/781888194.db2.gz ZTZBZKYBXACBKN-OPRDCNLKSA-N 1 2 273.333 -1.552 20 0 CAADLO CCOCC(=O)N[C@@H]1C[N@H+]([C@H](CC)C(N)=O)C[C@H]1O ZINC001190833193 781888198 /nfs/dbraw/zinc/88/81/98/781888198.db2.gz ZTZBZKYBXACBKN-OPRDCNLKSA-N 1 2 273.333 -1.552 20 0 CAADLO CC(C)=CC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)NC(N)=O)C[C@H]1O ZINC001190820670 781888268 /nfs/dbraw/zinc/88/82/68/781888268.db2.gz BNQCKACHRSEWTI-IVZWLZJFSA-N 1 2 298.343 -1.303 20 0 CAADLO CC(C)=CC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC(N)=O)C[C@H]1O ZINC001190820670 781888274 /nfs/dbraw/zinc/88/82/74/781888274.db2.gz BNQCKACHRSEWTI-IVZWLZJFSA-N 1 2 298.343 -1.303 20 0 CAADLO CCOCC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)NC2CC2)C[C@H]1O ZINC001190830211 781888429 /nfs/dbraw/zinc/88/84/29/781888429.db2.gz ADFSWVPBAJZNIE-YUSALJHKSA-N 1 2 299.371 -1.149 20 0 CAADLO CCOCC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)NC2CC2)C[C@H]1O ZINC001190830211 781888432 /nfs/dbraw/zinc/88/84/32/781888432.db2.gz ADFSWVPBAJZNIE-YUSALJHKSA-N 1 2 299.371 -1.149 20 0 CAADLO CCOCC(=O)N[C@@H]1C[N@@H+]([C@@H](CC)C(N)=O)C[C@H]1O ZINC001190833192 781888524 /nfs/dbraw/zinc/88/85/24/781888524.db2.gz ZTZBZKYBXACBKN-KXUCPTDWSA-N 1 2 273.333 -1.552 20 0 CAADLO CCOCC(=O)N[C@@H]1C[N@H+]([C@@H](CC)C(N)=O)C[C@H]1O ZINC001190833192 781888534 /nfs/dbraw/zinc/88/85/34/781888534.db2.gz ZTZBZKYBXACBKN-KXUCPTDWSA-N 1 2 273.333 -1.552 20 0 CAADLO CCOCC(=O)N[C@@H]1C[N@H+](CC(=O)N(C)CC)C[C@H]1O ZINC001190842257 781889109 /nfs/dbraw/zinc/88/91/09/781889109.db2.gz DMHLWSAARHHWOT-GHMZBOCLSA-N 1 2 287.360 -1.338 20 0 CAADLO CCOCC(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)CC)C[C@H]1O ZINC001190842257 781889116 /nfs/dbraw/zinc/88/91/16/781889116.db2.gz DMHLWSAARHHWOT-GHMZBOCLSA-N 1 2 287.360 -1.338 20 0 CAADLO CC(C)=CC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)NC(N)=O)C[C@H]1O ZINC001190820673 781889215 /nfs/dbraw/zinc/88/92/15/781889215.db2.gz BNQCKACHRSEWTI-OPRDCNLKSA-N 1 2 298.343 -1.303 20 0 CAADLO CC(C)=CC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)NC(N)=O)C[C@H]1O ZINC001190820673 781889226 /nfs/dbraw/zinc/88/92/26/781889226.db2.gz BNQCKACHRSEWTI-OPRDCNLKSA-N 1 2 298.343 -1.303 20 0 CAADLO CCOCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)N(C)C)C[C@H]1O ZINC001190832202 781889278 /nfs/dbraw/zinc/88/92/78/781889278.db2.gz RPIMSQDIWUYLCI-HBNTYKKESA-N 1 2 287.360 -1.339 20 0 CAADLO CCOCC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)N(C)C)C[C@H]1O ZINC001190832202 781889285 /nfs/dbraw/zinc/88/92/85/781889285.db2.gz RPIMSQDIWUYLCI-HBNTYKKESA-N 1 2 287.360 -1.339 20 0 CAADLO CCOCC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)N(C)C)C[C@H]1O ZINC001190832201 781889546 /nfs/dbraw/zinc/88/95/46/781889546.db2.gz RPIMSQDIWUYLCI-GMTAPVOTSA-N 1 2 287.360 -1.339 20 0 CAADLO CCOCC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)N(C)C)C[C@H]1O ZINC001190832201 781889554 /nfs/dbraw/zinc/88/95/54/781889554.db2.gz RPIMSQDIWUYLCI-GMTAPVOTSA-N 1 2 287.360 -1.339 20 0 CAADLO CCOCC(=O)N[C@@H]1C[N@@H+]([C@H]2CCCNC2=O)C[C@H]1O ZINC001190850806 781890621 /nfs/dbraw/zinc/89/06/21/781890621.db2.gz AZLMDIRTYDPWQF-OUAUKWLOSA-N 1 2 285.344 -1.537 20 0 CAADLO CCOCC(=O)N[C@@H]1C[N@H+]([C@H]2CCCNC2=O)C[C@H]1O ZINC001190850806 781890626 /nfs/dbraw/zinc/89/06/26/781890626.db2.gz AZLMDIRTYDPWQF-OUAUKWLOSA-N 1 2 285.344 -1.537 20 0 CAADLO CC(C)=CC(=O)N[C@@H]1C[N@@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1O ZINC001190871065 781890709 /nfs/dbraw/zinc/89/07/09/781890709.db2.gz SIMJSDQWKSCTBW-OUAUKWLOSA-N 1 2 295.339 -1.081 20 0 CAADLO CC(C)=CC(=O)N[C@@H]1C[N@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1O ZINC001190871065 781890718 /nfs/dbraw/zinc/89/07/18/781890718.db2.gz SIMJSDQWKSCTBW-OUAUKWLOSA-N 1 2 295.339 -1.081 20 0 CAADLO CCOCC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@H]1O ZINC001190851301 781890775 /nfs/dbraw/zinc/89/07/75/781890775.db2.gz PBWMVEILVACCNC-OPRDCNLKSA-N 1 2 271.317 -1.927 20 0 CAADLO CCOCC(=O)N[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@H]1O ZINC001190851301 781890784 /nfs/dbraw/zinc/89/07/84/781890784.db2.gz PBWMVEILVACCNC-OPRDCNLKSA-N 1 2 271.317 -1.927 20 0 CAADLO CSCC(=O)N[C@@H]1C[N@@H+]([C@H]2CCCNC2=O)C[C@H]1O ZINC001190886646 781891184 /nfs/dbraw/zinc/89/11/84/781891184.db2.gz JEEFFGSHYMQPEZ-KXUCPTDWSA-N 1 2 287.385 -1.211 20 0 CAADLO CCOCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC)C[C@H]1O ZINC001190859966 781891085 /nfs/dbraw/zinc/89/10/85/781891085.db2.gz LQDYTWOGOGSDSO-IVZWLZJFSA-N 1 2 273.333 -1.681 20 0 CAADLO CCOCC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)NC)C[C@H]1O ZINC001190859966 781891090 /nfs/dbraw/zinc/89/10/90/781891090.db2.gz LQDYTWOGOGSDSO-IVZWLZJFSA-N 1 2 273.333 -1.681 20 0 CAADLO CSCC(=O)N[C@@H]1C[N@H+]([C@H]2CCCNC2=O)C[C@H]1O ZINC001190886646 781891194 /nfs/dbraw/zinc/89/11/94/781891194.db2.gz JEEFFGSHYMQPEZ-KXUCPTDWSA-N 1 2 287.385 -1.211 20 0 CAADLO CCOCC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCN(CC)C2=O)C[C@H]1O ZINC001190861050 781892147 /nfs/dbraw/zinc/89/21/47/781892147.db2.gz UACSSAIVARGCGY-IJLUTSLNSA-N 1 2 299.371 -1.195 20 0 CAADLO CCOCC(=O)N[C@@H]1C[N@H+]([C@@H]2CCN(CC)C2=O)C[C@H]1O ZINC001190861050 781892155 /nfs/dbraw/zinc/89/21/55/781892155.db2.gz UACSSAIVARGCGY-IJLUTSLNSA-N 1 2 299.371 -1.195 20 0 CAADLO CSCCC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(N)=O)C[C@H]1O ZINC001190930427 781893047 /nfs/dbraw/zinc/89/30/47/781893047.db2.gz SUCXMUDKVHBMRF-IWSPIJDZSA-N 1 2 275.374 -1.225 20 0 CAADLO CSCCC(=O)N[C@@H]1C[N@H+]([C@H](C)C(N)=O)C[C@H]1O ZINC001190930427 781893056 /nfs/dbraw/zinc/89/30/56/781893056.db2.gz SUCXMUDKVHBMRF-IWSPIJDZSA-N 1 2 275.374 -1.225 20 0 CAADLO CSCC(=O)N[C@@H]1C[N@@H+]([C@H]2CCN(C)C2=O)C[C@H]1O ZINC001190914130 781893367 /nfs/dbraw/zinc/89/33/67/781893367.db2.gz QRYHVTXAAVRFMK-KXUCPTDWSA-N 1 2 287.385 -1.259 20 0 CAADLO CSCC(=O)N[C@@H]1C[N@H+]([C@H]2CCN(C)C2=O)C[C@H]1O ZINC001190914130 781893377 /nfs/dbraw/zinc/89/33/77/781893377.db2.gz QRYHVTXAAVRFMK-KXUCPTDWSA-N 1 2 287.385 -1.259 20 0 CAADLO Cc1ncoc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CNC(N)=O)C1 ZINC001190977110 781894868 /nfs/dbraw/zinc/89/48/68/781894868.db2.gz CYAPBTJFMDKIKD-RKDXNWHRSA-N 1 2 297.315 -1.687 20 0 CAADLO Cc1ncoc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)CNC(N)=O)C1 ZINC001190977110 781894878 /nfs/dbraw/zinc/89/48/78/781894878.db2.gz CYAPBTJFMDKIKD-RKDXNWHRSA-N 1 2 297.315 -1.687 20 0 CAADLO NC(=O)NCC(=O)N[C@@H]1C[N@H+](Cc2cncs2)C[C@H]1O ZINC001190978126 781895474 /nfs/dbraw/zinc/89/54/74/781895474.db2.gz SKCYHDHCMKTXDE-RKDXNWHRSA-N 1 2 299.356 -1.527 20 0 CAADLO NC(=O)NCC(=O)N[C@@H]1C[N@@H+](Cc2cncs2)C[C@H]1O ZINC001190978126 781895480 /nfs/dbraw/zinc/89/54/80/781895480.db2.gz SKCYHDHCMKTXDE-RKDXNWHRSA-N 1 2 299.356 -1.527 20 0 CAADLO CC[C@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CNC(N)=O)C1 ZINC001190978314 781895696 /nfs/dbraw/zinc/89/56/96/781895696.db2.gz VGYBOWDFFMZOSA-BWZBUEFSSA-N 1 2 287.320 -2.920 20 0 CAADLO CC[C@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)CNC(N)=O)C1 ZINC001190978314 781895702 /nfs/dbraw/zinc/89/57/02/781895702.db2.gz VGYBOWDFFMZOSA-BWZBUEFSSA-N 1 2 287.320 -2.920 20 0 CAADLO NC(=O)NCC(=O)N[C@@H]1C[N@@H+]([C@H]2CCCNC2=O)C[C@H]1O ZINC001190952637 781897039 /nfs/dbraw/zinc/89/70/39/781897039.db2.gz NARACPOSSCUXAS-HRDYMLBCSA-N 1 2 299.331 -2.905 20 0 CAADLO NC(=O)NCC(=O)N[C@@H]1C[N@H+]([C@H]2CCCNC2=O)C[C@H]1O ZINC001190952637 781897046 /nfs/dbraw/zinc/89/70/46/781897046.db2.gz NARACPOSSCUXAS-HRDYMLBCSA-N 1 2 299.331 -2.905 20 0 CAADLO Cc1cc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)CNC(N)=O)C2)on1 ZINC001190953071 781897159 /nfs/dbraw/zinc/89/71/59/781897159.db2.gz YHCNEHARKPLDKG-NXEZZACHSA-N 1 2 297.315 -1.687 20 0 CAADLO Cc1cc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)CNC(N)=O)C2)on1 ZINC001190953071 781897166 /nfs/dbraw/zinc/89/71/66/781897166.db2.gz YHCNEHARKPLDKG-NXEZZACHSA-N 1 2 297.315 -1.687 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)COCC2CC2)C1 ZINC001191300295 781904294 /nfs/dbraw/zinc/90/42/94/781904294.db2.gz KCXWIGIIBVSTBO-MVWJERBFSA-N 1 2 299.371 -1.291 20 0 CAADLO CNC(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)COCC2CC2)C1 ZINC001191300295 781904299 /nfs/dbraw/zinc/90/42/99/781904299.db2.gz KCXWIGIIBVSTBO-MVWJERBFSA-N 1 2 299.371 -1.291 20 0 CAADLO O=C(COCC1CC1)N[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@H]1O ZINC001191300744 781904390 /nfs/dbraw/zinc/90/43/90/781904390.db2.gz WAYCLLNYMXZKSN-GRYCIOLGSA-N 1 2 297.355 -1.537 20 0 CAADLO O=C(COCC1CC1)N[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@H]1O ZINC001191300744 781904400 /nfs/dbraw/zinc/90/44/00/781904400.db2.gz WAYCLLNYMXZKSN-GRYCIOLGSA-N 1 2 297.355 -1.537 20 0 CAADLO COC(=O)NCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(N)=O)C[C@H]1O ZINC001191356551 781904490 /nfs/dbraw/zinc/90/44/90/781904490.db2.gz QRIYVODFVVLWTI-XLPZGREQSA-N 1 2 288.304 -2.623 20 0 CAADLO COC(=O)NCC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(N)=O)C[C@H]1O ZINC001191356551 781904497 /nfs/dbraw/zinc/90/44/97/781904497.db2.gz QRIYVODFVVLWTI-XLPZGREQSA-N 1 2 288.304 -2.623 20 0 CAADLO COC(=O)NCC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(N)=O)C[C@H]1O ZINC001191356548 781904636 /nfs/dbraw/zinc/90/46/36/781904636.db2.gz QRIYVODFVVLWTI-BWZBUEFSSA-N 1 2 288.304 -2.623 20 0 CAADLO COC(=O)NCC(=O)N[C@@H]1C[N@H+]([C@H](C)C(N)=O)C[C@H]1O ZINC001191356548 781904642 /nfs/dbraw/zinc/90/46/42/781904642.db2.gz QRIYVODFVVLWTI-BWZBUEFSSA-N 1 2 288.304 -2.623 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCOC)C1 ZINC001191335371 781904949 /nfs/dbraw/zinc/90/49/49/781904949.db2.gz OVRDTZTVSQVXDN-HBNTYKKESA-N 1 2 287.360 -1.291 20 0 CAADLO CNC(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCOC)C1 ZINC001191335371 781904955 /nfs/dbraw/zinc/90/49/55/781904955.db2.gz OVRDTZTVSQVXDN-HBNTYKKESA-N 1 2 287.360 -1.291 20 0 CAADLO CCNC(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCOC)C1 ZINC001191328019 781905796 /nfs/dbraw/zinc/90/57/96/781905796.db2.gz DTYMBSFJOQHVKY-GHMZBOCLSA-N 1 2 287.360 -1.290 20 0 CAADLO CCNC(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCOC)C1 ZINC001191328019 781905802 /nfs/dbraw/zinc/90/58/02/781905802.db2.gz DTYMBSFJOQHVKY-GHMZBOCLSA-N 1 2 287.360 -1.290 20 0 CAADLO COCCCC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@H]1O ZINC001191328360 781906204 /nfs/dbraw/zinc/90/62/04/781906204.db2.gz PSDCYHRQNAWEIJ-GMTAPVOTSA-N 1 2 285.344 -1.537 20 0 CAADLO COCCCC(=O)N[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@H]1O ZINC001191328360 781906209 /nfs/dbraw/zinc/90/62/09/781906209.db2.gz PSDCYHRQNAWEIJ-GMTAPVOTSA-N 1 2 285.344 -1.537 20 0 CAADLO COC(=O)NCC(=O)N[C@@H]1C[N@H+](CCF)C[C@H]1O ZINC001191391658 781906600 /nfs/dbraw/zinc/90/66/00/781906600.db2.gz BZJIHJZIIJNSSH-HTQZYQBOSA-N 1 2 263.269 -1.527 20 0 CAADLO COC(=O)NCC(=O)N[C@@H]1C[N@@H+](CCF)C[C@H]1O ZINC001191391658 781906609 /nfs/dbraw/zinc/90/66/09/781906609.db2.gz BZJIHJZIIJNSSH-HTQZYQBOSA-N 1 2 263.269 -1.527 20 0 CAADLO C[C@H](c1nc(-c2nc[nH]n2)no1)[N@H+]1C[C@@H](O)[C@@H](O)C1 ZINC001191408449 781906672 /nfs/dbraw/zinc/90/66/72/781906672.db2.gz OZBFSSQKDIBZOT-QYNIQEEDSA-N 1 2 266.261 -1.047 20 0 CAADLO C[C@H](c1nc(-c2nc[nH]n2)no1)[N@@H+]1C[C@@H](O)[C@@H](O)C1 ZINC001191408449 781906680 /nfs/dbraw/zinc/90/66/80/781906680.db2.gz OZBFSSQKDIBZOT-QYNIQEEDSA-N 1 2 266.261 -1.047 20 0 CAADLO COCCCC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1O ZINC001191328269 781907469 /nfs/dbraw/zinc/90/74/69/781907469.db2.gz LKFZSCYOZDOBRA-VXGBXAGGSA-N 1 2 299.371 -1.193 20 0 CAADLO COCCCC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1O ZINC001191328269 781907473 /nfs/dbraw/zinc/90/74/73/781907473.db2.gz LKFZSCYOZDOBRA-VXGBXAGGSA-N 1 2 299.371 -1.193 20 0 CAADLO CCN(C)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)OC)C1 ZINC001191415537 781907527 /nfs/dbraw/zinc/90/75/27/781907527.db2.gz HTDPCOZJZLHVIR-HBNTYKKESA-N 1 2 287.360 -1.339 20 0 CAADLO CCN(C)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)OC)C1 ZINC001191415537 781907529 /nfs/dbraw/zinc/90/75/29/781907529.db2.gz HTDPCOZJZLHVIR-HBNTYKKESA-N 1 2 287.360 -1.339 20 0 CAADLO CO[C@@H](C)C(=O)N[C@@H]1C[N@H+](CCNC(=O)C2CC2)C[C@H]1O ZINC001191431955 781909343 /nfs/dbraw/zinc/90/93/43/781909343.db2.gz CYVPNOSVASCCAR-MVWJERBFSA-N 1 2 299.371 -1.291 20 0 CAADLO CO[C@@H](C)C(=O)N[C@@H]1C[N@@H+](CCNC(=O)C2CC2)C[C@H]1O ZINC001191431955 781909350 /nfs/dbraw/zinc/90/93/50/781909350.db2.gz CYVPNOSVASCCAR-MVWJERBFSA-N 1 2 299.371 -1.291 20 0 CAADLO O=C(N[C@@H](CO)Cc1c[nH]c[nH+]1)c1ncc[nH]c1=O ZINC001191518474 781910219 /nfs/dbraw/zinc/91/02/19/781910219.db2.gz OUANSAZSHGCKMX-MRVPVSSYSA-N 1 2 263.257 -1.174 20 0 CAADLO O=C(N[C@@H](CO)Cc1c[nH+]c[nH]1)c1ncc[nH]c1=O ZINC001191518474 781910233 /nfs/dbraw/zinc/91/02/33/781910233.db2.gz OUANSAZSHGCKMX-MRVPVSSYSA-N 1 2 263.257 -1.174 20 0 CAADLO COC(=O)[C@H]1C[N@H+](C)CCN1C(=O)c1ncc[nH]c1=O ZINC001191511593 781910662 /nfs/dbraw/zinc/91/06/62/781910662.db2.gz ZJJOBBICLTWKRQ-MRVPVSSYSA-N 1 2 280.284 -1.301 20 0 CAADLO COC(=O)[C@H]1C[N@@H+](C)CCN1C(=O)c1ncc[nH]c1=O ZINC001191511593 781910669 /nfs/dbraw/zinc/91/06/69/781910669.db2.gz ZJJOBBICLTWKRQ-MRVPVSSYSA-N 1 2 280.284 -1.301 20 0 CAADLO CC(C)OCC(=O)N[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@H]1O ZINC001191565422 781912840 /nfs/dbraw/zinc/91/28/40/781912840.db2.gz SDENNKUZGFQKEP-OUAUKWLOSA-N 1 2 285.344 -1.539 20 0 CAADLO CC(C)OCC(=O)N[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@H]1O ZINC001191565422 781912848 /nfs/dbraw/zinc/91/28/48/781912848.db2.gz SDENNKUZGFQKEP-OUAUKWLOSA-N 1 2 285.344 -1.539 20 0 CAADLO CCCOCC(=O)N[C@@H]1C[N@@H+]([C@H]2CCCNC2=O)C[C@H]1O ZINC001191573684 781913204 /nfs/dbraw/zinc/91/32/04/781913204.db2.gz RRMCOIUKPYYUIT-GRYCIOLGSA-N 1 2 299.371 -1.147 20 0 CAADLO CCCOCC(=O)N[C@@H]1C[N@H+]([C@H]2CCCNC2=O)C[C@H]1O ZINC001191573684 781913209 /nfs/dbraw/zinc/91/32/09/781913209.db2.gz RRMCOIUKPYYUIT-GRYCIOLGSA-N 1 2 299.371 -1.147 20 0 CAADLO CC(C)OCC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@H]1O ZINC001191565420 781913504 /nfs/dbraw/zinc/91/35/04/781913504.db2.gz SDENNKUZGFQKEP-GMTAPVOTSA-N 1 2 285.344 -1.539 20 0 CAADLO CC(C)OCC(=O)N[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@H]1O ZINC001191565420 781913511 /nfs/dbraw/zinc/91/35/11/781913511.db2.gz SDENNKUZGFQKEP-GMTAPVOTSA-N 1 2 285.344 -1.539 20 0 CAADLO CC[C@@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)COC(C)C)C1 ZINC001191573200 781913744 /nfs/dbraw/zinc/91/37/44/781913744.db2.gz HQOYFCMPSLFFHE-OUAUKWLOSA-N 1 2 287.360 -1.163 20 0 CAADLO CC[C@@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)COC(C)C)C1 ZINC001191573200 781913754 /nfs/dbraw/zinc/91/37/54/781913754.db2.gz HQOYFCMPSLFFHE-OUAUKWLOSA-N 1 2 287.360 -1.163 20 0 CAADLO CCCOCC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCCNC2=O)C[C@H]1O ZINC001191573685 781914050 /nfs/dbraw/zinc/91/40/50/781914050.db2.gz RRMCOIUKPYYUIT-IJLUTSLNSA-N 1 2 299.371 -1.147 20 0 CAADLO CCCOCC(=O)N[C@@H]1C[N@H+]([C@@H]2CCCNC2=O)C[C@H]1O ZINC001191573685 781914053 /nfs/dbraw/zinc/91/40/53/781914053.db2.gz RRMCOIUKPYYUIT-IJLUTSLNSA-N 1 2 299.371 -1.147 20 0 CAADLO CC(C)OCC(=O)N[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]1O ZINC001191564316 781914069 /nfs/dbraw/zinc/91/40/69/781914069.db2.gz KHLORWRTPMFJIF-GHMZBOCLSA-N 1 2 287.360 -1.339 20 0 CAADLO CC(C)OCC(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1O ZINC001191564316 781914075 /nfs/dbraw/zinc/91/40/75/781914075.db2.gz KHLORWRTPMFJIF-GHMZBOCLSA-N 1 2 287.360 -1.339 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)COC(C)C)C1 ZINC001191573667 781914122 /nfs/dbraw/zinc/91/41/22/781914122.db2.gz QWMAHFHXIHCVBN-GMTAPVOTSA-N 1 2 287.360 -1.293 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)COC(C)C)C1 ZINC001191573667 781914124 /nfs/dbraw/zinc/91/41/24/781914124.db2.gz QWMAHFHXIHCVBN-GMTAPVOTSA-N 1 2 287.360 -1.293 20 0 CAADLO CCOCCC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1O ZINC001191637872 781914646 /nfs/dbraw/zinc/91/46/46/781914646.db2.gz SIUKUSKZRFHQLJ-VXGBXAGGSA-N 1 2 299.371 -1.193 20 0 CAADLO CCOCCC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1O ZINC001191637872 781914650 /nfs/dbraw/zinc/91/46/50/781914650.db2.gz SIUKUSKZRFHQLJ-VXGBXAGGSA-N 1 2 299.371 -1.193 20 0 CAADLO CO[C@@H](C)CC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1O ZINC001191651217 781914744 /nfs/dbraw/zinc/91/47/44/781914744.db2.gz CUYVZGLBVCLPMO-QJPTWQEYSA-N 1 2 299.371 -1.195 20 0 CAADLO CO[C@@H](C)CC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1O ZINC001191651217 781914755 /nfs/dbraw/zinc/91/47/55/781914755.db2.gz CUYVZGLBVCLPMO-QJPTWQEYSA-N 1 2 299.371 -1.195 20 0 CAADLO COCCCCC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@H]1O ZINC001191631492 781915356 /nfs/dbraw/zinc/91/53/56/781915356.db2.gz ZJJAKQWFNYNAAZ-IJLUTSLNSA-N 1 2 299.371 -1.147 20 0 CAADLO COCCCCC(=O)N[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@H]1O ZINC001191631492 781915360 /nfs/dbraw/zinc/91/53/60/781915360.db2.gz ZJJAKQWFNYNAAZ-IJLUTSLNSA-N 1 2 299.371 -1.147 20 0 CAADLO COCCCCC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(N)=O)C[C@H]1O ZINC001191630891 781915612 /nfs/dbraw/zinc/91/56/12/781915612.db2.gz IHLSDUZOQKBAHW-GMTAPVOTSA-N 1 2 287.360 -1.162 20 0 CAADLO COCCCCC(=O)N[C@@H]1C[N@H+]([C@H](C)C(N)=O)C[C@H]1O ZINC001191630891 781915614 /nfs/dbraw/zinc/91/56/14/781915614.db2.gz IHLSDUZOQKBAHW-GMTAPVOTSA-N 1 2 287.360 -1.162 20 0 CAADLO CCN(C)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCOC2)C1 ZINC001191622244 781915652 /nfs/dbraw/zinc/91/56/52/781915652.db2.gz GDXWZHZYECBHAM-IJLUTSLNSA-N 1 2 299.371 -1.338 20 0 CAADLO CCN(C)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCOC2)C1 ZINC001191622244 781915655 /nfs/dbraw/zinc/91/56/55/781915655.db2.gz GDXWZHZYECBHAM-IJLUTSLNSA-N 1 2 299.371 -1.338 20 0 CAADLO CCOCCC(=O)N[C@@H]1C[N@@H+]([C@H](CC)C(N)=O)C[C@H]1O ZINC001191715372 781915849 /nfs/dbraw/zinc/91/58/49/781915849.db2.gz WYZQSGCWKVXXTE-GMTAPVOTSA-N 1 2 287.360 -1.162 20 0 CAADLO CCOCCC(=O)N[C@@H]1C[N@H+]([C@H](CC)C(N)=O)C[C@H]1O ZINC001191715372 781915856 /nfs/dbraw/zinc/91/58/56/781915856.db2.gz WYZQSGCWKVXXTE-GMTAPVOTSA-N 1 2 287.360 -1.162 20 0 CAADLO CCOCCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(N)=O)C[C@H]1O ZINC001191705484 781916606 /nfs/dbraw/zinc/91/66/06/781916606.db2.gz SDKLUMZLNUNDFT-IVZWLZJFSA-N 1 2 273.333 -1.552 20 0 CAADLO CCOCCC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(N)=O)C[C@H]1O ZINC001191705484 781916611 /nfs/dbraw/zinc/91/66/11/781916611.db2.gz SDKLUMZLNUNDFT-IVZWLZJFSA-N 1 2 273.333 -1.552 20 0 CAADLO CO[C@@H](C)CC(=O)N[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]1O ZINC001191659450 781917399 /nfs/dbraw/zinc/91/73/99/781917399.db2.gz NIVOCSLDTXIXKH-HBNTYKKESA-N 1 2 287.360 -1.339 20 0 CAADLO CO[C@@H](C)CC(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1O ZINC001191659450 781917410 /nfs/dbraw/zinc/91/74/10/781917410.db2.gz NIVOCSLDTXIXKH-HBNTYKKESA-N 1 2 287.360 -1.339 20 0 CAADLO COC[C@@H](C)C(=O)N[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1O ZINC001191687627 781917590 /nfs/dbraw/zinc/91/75/90/781917590.db2.gz QYBSXQBUVKUMQA-IJLUTSLNSA-N 1 2 299.371 -1.338 20 0 CAADLO COC[C@@H](C)C(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1O ZINC001191687627 781917600 /nfs/dbraw/zinc/91/76/00/781917600.db2.gz QYBSXQBUVKUMQA-IJLUTSLNSA-N 1 2 299.371 -1.338 20 0 CAADLO CCOCCC(=O)N[C@@H]1C[N@H+](CC(=O)NC2CC2)C[C@H]1O ZINC001191705403 781917878 /nfs/dbraw/zinc/91/78/78/781917878.db2.gz PIYLUSNQSOIJDT-VXGBXAGGSA-N 1 2 299.371 -1.147 20 0 CAADLO CCOCCC(=O)N[C@@H]1C[N@@H+](CC(=O)NC2CC2)C[C@H]1O ZINC001191705403 781917890 /nfs/dbraw/zinc/91/78/90/781917890.db2.gz PIYLUSNQSOIJDT-VXGBXAGGSA-N 1 2 299.371 -1.147 20 0 CAADLO CNC(=O)NCC(=O)NC[C@@H]1CC[N@H+]1[C@H](C)C(N)=O ZINC001420853110 890468549 /nfs/dbraw/zinc/46/85/49/890468549.db2.gz YGPLTCLNDBDASY-SFYZADRCSA-N 1 2 271.321 -2.020 20 0 CAADLO CNC(=O)NCC(=O)NCC1C[NH+]([C@@H]2CCNC2=O)C1 ZINC001421141485 890487339 /nfs/dbraw/zinc/48/73/39/890487339.db2.gz ZTJSDRXWUSPDBH-SECBINFHSA-N 1 2 283.332 -2.148 20 0 CAADLO CC(C)(C)C(=O)NCC(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001421290316 890495774 /nfs/dbraw/zinc/49/57/74/890495774.db2.gz VYSSGTMJKVTFAV-SECBINFHSA-N 1 2 284.360 -1.176 20 0 CAADLO CCN(C(=O)[C@@H](C)NC(C)=O)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001421361058 890498932 /nfs/dbraw/zinc/49/89/32/890498932.db2.gz WHUGRRWSTQIKNJ-KOLCDFICSA-N 1 2 284.360 -1.081 20 0 CAADLO C[C@H](NC(N)=O)C(=O)N[C@]1(CO)CCC[N@H+](CCF)C1 ZINC001421591529 890522817 /nfs/dbraw/zinc/52/28/17/890522817.db2.gz GHMCCBMHVYUSTB-JOYOIKCWSA-N 1 2 290.339 -1.044 20 0 CAADLO C[C@H](NC(N)=O)C(=O)N[C@]1(CO)CCC[N@@H+](CCF)C1 ZINC001421591529 890522825 /nfs/dbraw/zinc/52/28/25/890522825.db2.gz GHMCCBMHVYUSTB-JOYOIKCWSA-N 1 2 290.339 -1.044 20 0 CAADLO CN(CC[N@H+](C)CC(N)=O)C(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001422206702 890556932 /nfs/dbraw/zinc/55/69/32/890556932.db2.gz IJMVIRBBHMOKNT-DTWKUNHWSA-N 1 2 286.332 -2.105 20 0 CAADLO CN(CC[N@@H+](C)CC(N)=O)C(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001422206702 890556944 /nfs/dbraw/zinc/55/69/44/890556944.db2.gz IJMVIRBBHMOKNT-DTWKUNHWSA-N 1 2 286.332 -2.105 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+](C)[C@H](C)CNC(=O)Cc1nnc[nH]1 ZINC001422576962 890600473 /nfs/dbraw/zinc/60/04/73/890600473.db2.gz IBAGXNMEIYXRLG-BDAKNGLRSA-N 1 2 282.348 -1.082 20 0 CAADLO CNC(=O)[C@H](C)[N@H+](C)[C@H](C)CNC(=O)Cc1nnc[nH]1 ZINC001422576962 890600468 /nfs/dbraw/zinc/60/04/68/890600468.db2.gz IBAGXNMEIYXRLG-BDAKNGLRSA-N 1 2 282.348 -1.082 20 0 CAADLO COCC[NH+]1CC(CCO)(NC(=O)CCNC(N)=O)C1 ZINC001422651164 890607384 /nfs/dbraw/zinc/60/73/84/890607384.db2.gz BMGMPHKWFGGKSZ-UHFFFAOYSA-N 1 2 288.348 -1.756 20 0 CAADLO CN(C)C(=O)C[N@@H+]1CC[C@@H]1CNC(=O)CCNC(N)=O ZINC001423158007 890628744 /nfs/dbraw/zinc/62/87/44/890628744.db2.gz QDXGFTSUBWKPFX-SECBINFHSA-N 1 2 285.348 -1.677 20 0 CAADLO CN(C)C(=O)C[N@H+]1CC[C@@H]1CNC(=O)CCNC(N)=O ZINC001423158007 890628749 /nfs/dbraw/zinc/62/87/49/890628749.db2.gz QDXGFTSUBWKPFX-SECBINFHSA-N 1 2 285.348 -1.677 20 0 CAADLO CO[C@@H](C)C(=O)NC[C@@H](CO)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001423212980 890645535 /nfs/dbraw/zinc/64/55/35/890645535.db2.gz UZEKQHSSYVUJJP-YUMQZZPRSA-N 1 2 287.320 -2.290 20 0 CAADLO Cn1[nH]c(C[NH2+][C@H](CO)CNC(=O)C(C)(C)C)nc1=O ZINC001423285881 890659630 /nfs/dbraw/zinc/65/96/30/890659630.db2.gz UCYSFJSRBCBOMQ-QMMMGPOBSA-N 1 2 285.348 -1.279 20 0 CAADLO COCC[N@@H+](CCNC(=O)[C@H]1C[C@H](C)CO1)CC(N)=O ZINC001423635079 890689129 /nfs/dbraw/zinc/68/91/29/890689129.db2.gz YGXJDAAVWIATHD-WDEREUQCSA-N 1 2 287.360 -1.039 20 0 CAADLO C[C@H](O)C[NH+]1CC(CCO)(NC(=O)c2cn(C)nn2)C1 ZINC001425111003 890756758 /nfs/dbraw/zinc/75/67/58/890756758.db2.gz PWYQJDIANVCBQI-VIFPVBQESA-N 1 2 283.332 -1.638 20 0 CAADLO C[C@@H](O)C[NH+]1CC(CCO)(NC(=O)CCNC(N)=O)C1 ZINC001425141878 890756791 /nfs/dbraw/zinc/75/67/91/890756791.db2.gz MMOSLVVJKFTPBJ-SECBINFHSA-N 1 2 288.348 -2.021 20 0 CAADLO COCC(=O)NC[C@H](CO)NC(=O)Cc1[nH]c[nH+]c1C ZINC001425280129 890761990 /nfs/dbraw/zinc/76/19/90/890761990.db2.gz SJQIKUABNKHWSX-SECBINFHSA-N 1 2 284.316 -1.500 20 0 CAADLO Cn1ncnc1C[NH2+][C@@H](CO)CNC(=O)[C@H]1CCOC1 ZINC001425722751 890803985 /nfs/dbraw/zinc/80/39/85/890803985.db2.gz LWSIQTKODJQIMU-VHSXEESVSA-N 1 2 283.332 -1.582 20 0 CAADLO C[C@H](CNC(=O)N[C@@H]1COC[C@H]1O)[NH+]1CCN(C)CC1 ZINC001428417991 890915605 /nfs/dbraw/zinc/91/56/05/890915605.db2.gz YLTBBPDFKCXEIX-IJLUTSLNSA-N 1 2 286.376 -1.319 20 0 CAADLO CC(C)(O)[C@H](O)C(=O)N[C@H]1CCC[N@H+](CC(N)=O)C1 ZINC001433665058 891042297 /nfs/dbraw/zinc/04/22/97/891042297.db2.gz NJQXDNXDRRZFIQ-WCBMZHEXSA-N 1 2 273.333 -1.816 20 0 CAADLO CC(C)(O)[C@H](O)C(=O)N[C@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001433665058 891042303 /nfs/dbraw/zinc/04/23/03/891042303.db2.gz NJQXDNXDRRZFIQ-WCBMZHEXSA-N 1 2 273.333 -1.816 20 0 CAADLO Cn1cc[nH+]c1CCC(=O)N1CC(NS(N)(=O)=O)C1 ZINC001434241839 891093071 /nfs/dbraw/zinc/09/30/71/891093071.db2.gz XOYBJJVHHARXMN-UHFFFAOYSA-N 1 2 287.345 -1.643 20 0 CAADLO O=C(CO)NCCC(=O)N[C@H](CO)Cc1c[nH]c[nH+]1 ZINC001434297905 891098419 /nfs/dbraw/zinc/09/84/19/891098419.db2.gz AKPRBFVYCPGWMH-VIFPVBQESA-N 1 2 270.289 -2.072 20 0 CAADLO O=C(CO)NCCC(=O)N[C@H](CO)Cc1c[nH+]c[nH]1 ZINC001434297905 891098437 /nfs/dbraw/zinc/09/84/37/891098437.db2.gz AKPRBFVYCPGWMH-VIFPVBQESA-N 1 2 270.289 -2.072 20 0 CAADLO CS(=O)(=O)N1CC(C[NH+]2CCN(CC(N)=O)CC2)C1 ZINC001434461608 891117742 /nfs/dbraw/zinc/11/77/42/891117742.db2.gz KNLIRGCQPAHMDC-UHFFFAOYSA-N 1 2 290.389 -2.019 20 0 CAADLO C[C@H](C[NH+]1CCOCC1)N1CCN(CC(N)=O)C(=O)C1 ZINC001434472619 891121884 /nfs/dbraw/zinc/12/18/84/891121884.db2.gz MQZLDQYOONKPAD-LLVKDONJSA-N 1 2 284.360 -1.663 20 0 CAADLO C[C@@H](NS(=O)(=O)N1CC[NH+](C)CC1)C(=O)N(C)C ZINC001434558692 891127356 /nfs/dbraw/zinc/12/73/56/891127356.db2.gz JQUKHKOCSGWTAL-SECBINFHSA-N 1 2 278.378 -1.455 20 0 CAADLO C[C@@H]1OCC[C@]1(O)CNS(=O)(=O)N1CC[NH+](C)CC1 ZINC001434567216 891126882 /nfs/dbraw/zinc/12/68/82/891126882.db2.gz GUGIUMRIFIFIAI-QWRGUYRKSA-N 1 2 293.389 -1.392 20 0 CAADLO COC(=O)C[C@@H](O)CNS(=O)(=O)CCn1cc[nH+]c1 ZINC001434587465 891130427 /nfs/dbraw/zinc/13/04/27/891130427.db2.gz QCMKQGIHWVTUTC-SECBINFHSA-N 1 2 291.329 -1.274 20 0 CAADLO CCNS(=O)(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC ZINC001434625461 891132019 /nfs/dbraw/zinc/13/20/19/891132019.db2.gz WOSNXQUCEDCURC-QMMMGPOBSA-N 1 2 275.334 -1.489 20 0 CAADLO CCNS(=O)(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC ZINC001434625461 891132026 /nfs/dbraw/zinc/13/20/26/891132026.db2.gz WOSNXQUCEDCURC-QMMMGPOBSA-N 1 2 275.334 -1.489 20 0 CAADLO CO[C@@H](C)C(=O)N[C@H]1CCC[N@H+](CC(=O)NC(N)=O)C1 ZINC001436683956 891154071 /nfs/dbraw/zinc/15/40/71/891154071.db2.gz HWNANKCODWQLJZ-IUCAKERBSA-N 1 2 286.332 -1.203 20 0 CAADLO CO[C@@H](C)C(=O)N[C@H]1CCC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001436683956 891154082 /nfs/dbraw/zinc/15/40/82/891154082.db2.gz HWNANKCODWQLJZ-IUCAKERBSA-N 1 2 286.332 -1.203 20 0 CAADLO Cc1nnc(C[NH2+]C[C@H](C)NC(=O)C(N)=O)s1 ZINC001483262439 892750486 /nfs/dbraw/zinc/75/04/86/892750486.db2.gz PKDBXRKXQCQEEN-YFKPBYRVSA-N 1 2 257.319 -1.074 20 0 CAADLO CCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H]2COC(=O)N2)C1 ZINC001436734756 891156619 /nfs/dbraw/zinc/15/66/19/891156619.db2.gz VXXPOKDSCGBDMU-IUCAKERBSA-N 1 2 284.316 -1.579 20 0 CAADLO C[C@@H](CNC(=O)C(N)=O)[N@H+](C)CC(=O)NC1CC1 ZINC001505993060 893908970 /nfs/dbraw/zinc/90/89/70/893908970.db2.gz NKIMNAJPWJTVPT-ZETCQYMHSA-N 1 2 256.306 -1.813 20 0 CAADLO C[C@@H](CNC(=O)C(N)=O)[N@@H+](C)CC(=O)NC1CC1 ZINC001505993060 893908975 /nfs/dbraw/zinc/90/89/75/893908975.db2.gz NKIMNAJPWJTVPT-ZETCQYMHSA-N 1 2 256.306 -1.813 20 0 CAADLO C[C@H](CNC(=O)C(N)=O)[N@@H+](C)CC(=O)NC1CC1 ZINC001505993059 893911268 /nfs/dbraw/zinc/91/12/68/893911268.db2.gz NKIMNAJPWJTVPT-SSDOTTSWSA-N 1 2 256.306 -1.813 20 0 CAADLO O=C(N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@@H]1O)C(F)F ZINC001083299015 884026202 /nfs/dbraw/zinc/02/62/02/884026202.db2.gz DEEBOSXGOCJJKD-SFYZADRCSA-N 1 2 292.286 -1.562 20 0 CAADLO O=C(N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@@H]1O)C(F)F ZINC001083299015 884026217 /nfs/dbraw/zinc/02/62/17/884026217.db2.gz DEEBOSXGOCJJKD-SFYZADRCSA-N 1 2 292.286 -1.562 20 0 CAADLO COCC(=O)NC1CC[NH+](Cc2nc(=O)n(C)[nH]2)CC1 ZINC001225769434 884078624 /nfs/dbraw/zinc/07/86/24/884078624.db2.gz KDARGUYJEBNWFG-UHFFFAOYSA-N 1 2 283.332 -1.165 20 0 CAADLO C[C@]1(NC(=O)C(N)=O)CC[N@H+](CC(=O)N2CCC2)C1 ZINC001278421122 884103797 /nfs/dbraw/zinc/10/37/97/884103797.db2.gz SSGRHCGFNWUVOR-LBPRGKRZSA-N 1 2 268.317 -1.715 20 0 CAADLO C[C@]1(NC(=O)C(N)=O)CC[N@@H+](CC(=O)N2CCC2)C1 ZINC001278421122 884103800 /nfs/dbraw/zinc/10/38/00/884103800.db2.gz SSGRHCGFNWUVOR-LBPRGKRZSA-N 1 2 268.317 -1.715 20 0 CAADLO NC(=O)C(=O)NC[C@@H](O)C[NH2+]Cc1cnsn1 ZINC001268323910 884093713 /nfs/dbraw/zinc/09/37/13/884093713.db2.gz QZGVLVDRPSCLPJ-LURJTMIESA-N 1 2 259.291 -2.410 20 0 CAADLO O=C(C[NH+]1C[C@@H](CO)[C@H](CO)C1)Nc1cccnn1 ZINC001307960540 884129127 /nfs/dbraw/zinc/12/91/27/884129127.db2.gz HOBHOMMAFQNIBA-UWVGGRQHSA-N 1 2 266.301 -1.052 20 0 CAADLO CC(C)C(=O)NCCNS(=O)(=O)N1CC[NH+](C)CC1 ZINC001309160200 884133403 /nfs/dbraw/zinc/13/34/03/884133403.db2.gz OIERCJRFWHEMKH-UHFFFAOYSA-N 1 2 292.405 -1.160 20 0 CAADLO Cn1cnc(NC(=O)N2CC[NH+](CCO)CC2)n1 ZINC001310815222 884137813 /nfs/dbraw/zinc/13/78/13/884137813.db2.gz AHVKXRCBWSVKCO-UHFFFAOYSA-N 1 2 254.294 -1.043 20 0 CAADLO CCNC(=O)C[N@H+](C)CCNC(=O)c1nnn(C)n1 ZINC001317456604 884197699 /nfs/dbraw/zinc/19/76/99/884197699.db2.gz MINFWKLFPGGITG-UHFFFAOYSA-N 1 2 269.309 -1.992 20 0 CAADLO CCNC(=O)C[N@@H+](C)CCNC(=O)c1nnn(C)n1 ZINC001317456604 884197705 /nfs/dbraw/zinc/19/77/05/884197705.db2.gz MINFWKLFPGGITG-UHFFFAOYSA-N 1 2 269.309 -1.992 20 0 CAADLO CN(C)C(=O)C[N@H+](C)CCNC(=O)c1ncn(C)n1 ZINC001317443359 884195991 /nfs/dbraw/zinc/19/59/91/884195991.db2.gz IYXWQGIZTBUZBC-UHFFFAOYSA-N 1 2 268.321 -1.435 20 0 CAADLO CN(C)C(=O)C[N@@H+](C)CCNC(=O)c1ncn(C)n1 ZINC001317443359 884196003 /nfs/dbraw/zinc/19/60/03/884196003.db2.gz IYXWQGIZTBUZBC-UHFFFAOYSA-N 1 2 268.321 -1.435 20 0 CAADLO C[N@H+](CCNC(=O)[C@H]1CCC(=O)NC1)CC(N)=O ZINC001317452501 884196550 /nfs/dbraw/zinc/19/65/50/884196550.db2.gz DNMOXHMNAYGXGC-QMMMGPOBSA-N 1 2 256.306 -1.954 20 0 CAADLO C[N@@H+](CCNC(=O)[C@H]1CCC(=O)NC1)CC(N)=O ZINC001317452501 884196556 /nfs/dbraw/zinc/19/65/56/884196556.db2.gz DNMOXHMNAYGXGC-QMMMGPOBSA-N 1 2 256.306 -1.954 20 0 CAADLO NC(=O)C[N@H+](CCNC(=O)c1cn[nH]n1)C1CC1 ZINC001317553963 884218009 /nfs/dbraw/zinc/21/80/09/884218009.db2.gz RGINFAFKILFCGV-UHFFFAOYSA-N 1 2 252.278 -1.516 20 0 CAADLO NC(=O)C[N@@H+](CCNC(=O)c1cn[nH]n1)C1CC1 ZINC001317553963 884218028 /nfs/dbraw/zinc/21/80/28/884218028.db2.gz RGINFAFKILFCGV-UHFFFAOYSA-N 1 2 252.278 -1.516 20 0 CAADLO C[N@H+](CCNC(=O)C(N)=O)CC(=O)NCc1cccs1 ZINC001317458742 884203172 /nfs/dbraw/zinc/20/31/72/884203172.db2.gz FEFUHJUHKJRFFF-UHFFFAOYSA-N 1 2 298.368 -1.102 20 0 CAADLO C[N@@H+](CCNC(=O)C(N)=O)CC(=O)NCc1cccs1 ZINC001317458742 884203189 /nfs/dbraw/zinc/20/31/89/884203189.db2.gz FEFUHJUHKJRFFF-UHFFFAOYSA-N 1 2 298.368 -1.102 20 0 CAADLO C[C@@H](C[N@H+](C)CCNC(=O)C(N)=O)CS(C)(=O)=O ZINC001317459823 884203382 /nfs/dbraw/zinc/20/33/82/884203382.db2.gz RAKNDTDKSDCYEO-QMMMGPOBSA-N 1 2 279.362 -1.800 20 0 CAADLO C[C@@H](C[N@@H+](C)CCNC(=O)C(N)=O)CS(C)(=O)=O ZINC001317459823 884203397 /nfs/dbraw/zinc/20/33/97/884203397.db2.gz RAKNDTDKSDCYEO-QMMMGPOBSA-N 1 2 279.362 -1.800 20 0 CAADLO CC[N@H+](CCNC(=O)C(N)=O)CC(=O)NCC1CC1 ZINC001317483781 884209512 /nfs/dbraw/zinc/20/95/12/884209512.db2.gz KTODNZJOMPCMBK-UHFFFAOYSA-N 1 2 270.333 -1.564 20 0 CAADLO CC[N@@H+](CCNC(=O)C(N)=O)CC(=O)NCC1CC1 ZINC001317483781 884209521 /nfs/dbraw/zinc/20/95/21/884209521.db2.gz KTODNZJOMPCMBK-UHFFFAOYSA-N 1 2 270.333 -1.564 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(NC(=O)c2ncccn2)C1 ZINC001318070474 884251179 /nfs/dbraw/zinc/25/11/79/884251179.db2.gz AGTQRMNOTZUKDI-JTQLQIEISA-N 1 2 266.301 -1.102 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(NC(=O)c2ccncn2)C1 ZINC001318072154 884254464 /nfs/dbraw/zinc/25/44/64/884254464.db2.gz XOAQFOPBLKIBNY-JTQLQIEISA-N 1 2 266.301 -1.102 20 0 CAADLO CCNC(=O)CC(=O)NC[C@H]1C[N@@H+](CCO)CCO1 ZINC001319306350 884321374 /nfs/dbraw/zinc/32/13/74/884321374.db2.gz UBCXHHXHZFKHJT-JTQLQIEISA-N 1 2 273.333 -1.678 20 0 CAADLO CCNC(=O)CC(=O)NC[C@H]1C[N@H+](CCO)CCO1 ZINC001319306350 884321357 /nfs/dbraw/zinc/32/13/57/884321357.db2.gz UBCXHHXHZFKHJT-JTQLQIEISA-N 1 2 273.333 -1.678 20 0 CAADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C1(C(N)=O)CC1 ZINC001319435753 884331885 /nfs/dbraw/zinc/33/18/85/884331885.db2.gz HFMBIJABVHCUFE-JTQLQIEISA-N 1 2 285.344 -1.597 20 0 CAADLO C[C@@H](NC(=O)C[N@H+]1C[C@@H](O)[C@@H](O)C1)C(=O)N(C)C ZINC001319426917 884328346 /nfs/dbraw/zinc/32/83/46/884328346.db2.gz PZJDFSKGWLJJCH-HLTSFMKQSA-N 1 2 259.306 -2.383 20 0 CAADLO C[C@@H](NC(=O)C[N@@H+]1C[C@@H](O)[C@@H](O)C1)C(=O)N(C)C ZINC001319426917 884328360 /nfs/dbraw/zinc/32/83/60/884328360.db2.gz PZJDFSKGWLJJCH-HLTSFMKQSA-N 1 2 259.306 -2.383 20 0 CAADLO O=C(CO[C@@H]1CCOC1)NC[C@H]1C[NH+]2CCN1CC2 ZINC001319982122 884366255 /nfs/dbraw/zinc/36/62/55/884366255.db2.gz PQGLUQBNSDRNQQ-NWDGAFQWSA-N 1 2 269.345 -1.092 20 0 CAADLO CN(C)C(=O)CNC(=O)C(=O)NCCn1cc[nH+]c1 ZINC001320846458 884452040 /nfs/dbraw/zinc/45/20/40/884452040.db2.gz NWRYGTHKCJNCML-UHFFFAOYSA-N 1 2 267.289 -1.796 20 0 CAADLO C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)NCC(=O)N(C)C ZINC001321592927 884504294 /nfs/dbraw/zinc/50/42/94/884504294.db2.gz TXOIYHRPHYTHAL-SECBINFHSA-N 1 2 281.316 -1.408 20 0 CAADLO C[C@@H](C[N@H+](C)[C@@H](C)C(N)=O)NC(=O)c1cn[nH]n1 ZINC001322193177 884539611 /nfs/dbraw/zinc/53/96/11/884539611.db2.gz KDOAAHUNRRLZNO-BQBZGAKWSA-N 1 2 254.294 -1.271 20 0 CAADLO C[C@@H](C[N@@H+](C)[C@@H](C)C(N)=O)NC(=O)c1cn[nH]n1 ZINC001322193177 884539616 /nfs/dbraw/zinc/53/96/16/884539616.db2.gz KDOAAHUNRRLZNO-BQBZGAKWSA-N 1 2 254.294 -1.271 20 0 CAADLO C[C@@H](C[N@H+](C)[C@@H](C)C(N)=O)NC(=O)c1cnn[nH]1 ZINC001322193177 884539630 /nfs/dbraw/zinc/53/96/30/884539630.db2.gz KDOAAHUNRRLZNO-BQBZGAKWSA-N 1 2 254.294 -1.271 20 0 CAADLO C[C@@H](C[N@@H+](C)[C@@H](C)C(N)=O)NC(=O)c1cnn[nH]1 ZINC001322193177 884539638 /nfs/dbraw/zinc/53/96/38/884539638.db2.gz KDOAAHUNRRLZNO-BQBZGAKWSA-N 1 2 254.294 -1.271 20 0 CAADLO CNC(=O)[C@H](C)[N@H+](C)C[C@H](C)NC(=O)c1cn[nH]n1 ZINC001322191108 884542158 /nfs/dbraw/zinc/54/21/58/884542158.db2.gz AAFFLJOLEOJWMC-YUMQZZPRSA-N 1 2 268.321 -1.011 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+](C)C[C@H](C)NC(=O)c1cn[nH]n1 ZINC001322191108 884542167 /nfs/dbraw/zinc/54/21/67/884542167.db2.gz AAFFLJOLEOJWMC-YUMQZZPRSA-N 1 2 268.321 -1.011 20 0 CAADLO CNC(=O)[C@H](C)[N@H+](C)C[C@H](C)NC(=O)c1cnn[nH]1 ZINC001322191108 884542175 /nfs/dbraw/zinc/54/21/75/884542175.db2.gz AAFFLJOLEOJWMC-YUMQZZPRSA-N 1 2 268.321 -1.011 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+](C)C[C@H](C)NC(=O)c1cnn[nH]1 ZINC001322191108 884542182 /nfs/dbraw/zinc/54/21/82/884542182.db2.gz AAFFLJOLEOJWMC-YUMQZZPRSA-N 1 2 268.321 -1.011 20 0 CAADLO C[C@H](C[N@H+](C)CC(=O)N1CCCCC1)NC(=O)C(N)=O ZINC001322239334 884544817 /nfs/dbraw/zinc/54/48/17/884544817.db2.gz ZVQHNWCNRNPHNU-SNVBAGLBSA-N 1 2 284.360 -1.079 20 0 CAADLO C[C@H](C[N@@H+](C)CC(=O)N1CCCCC1)NC(=O)C(N)=O ZINC001322239334 884544825 /nfs/dbraw/zinc/54/48/25/884544825.db2.gz ZVQHNWCNRNPHNU-SNVBAGLBSA-N 1 2 284.360 -1.079 20 0 CAADLO C[C@H](C[N@H+](C)CC(=O)N1CCCC1)NC(=O)C(N)=O ZINC001322237661 884547008 /nfs/dbraw/zinc/54/70/08/884547008.db2.gz PLHKCAQXRAFDBZ-SECBINFHSA-N 1 2 270.333 -1.469 20 0 CAADLO C[C@H](C[N@@H+](C)CC(=O)N1CCCC1)NC(=O)C(N)=O ZINC001322237661 884547024 /nfs/dbraw/zinc/54/70/24/884547024.db2.gz PLHKCAQXRAFDBZ-SECBINFHSA-N 1 2 270.333 -1.469 20 0 CAADLO C[C@H](C[N@H+](C)[C@@H](C)C(N)=O)NC(=O)c1nnc[nH]1 ZINC001322269389 884547059 /nfs/dbraw/zinc/54/70/59/884547059.db2.gz NKKLQTFAIIOGDY-RQJHMYQMSA-N 1 2 254.294 -1.271 20 0 CAADLO C[C@H](C[N@@H+](C)[C@@H](C)C(N)=O)NC(=O)c1nnc[nH]1 ZINC001322269389 884547070 /nfs/dbraw/zinc/54/70/70/884547070.db2.gz NKKLQTFAIIOGDY-RQJHMYQMSA-N 1 2 254.294 -1.271 20 0 CAADLO C[C@H](C[N@H+](C)[C@@H](C)C(N)=O)NC(=O)c1ncn[nH]1 ZINC001322269389 884547083 /nfs/dbraw/zinc/54/70/83/884547083.db2.gz NKKLQTFAIIOGDY-RQJHMYQMSA-N 1 2 254.294 -1.271 20 0 CAADLO C[C@H](C[N@@H+](C)[C@@H](C)C(N)=O)NC(=O)c1ncn[nH]1 ZINC001322269389 884547094 /nfs/dbraw/zinc/54/70/94/884547094.db2.gz NKKLQTFAIIOGDY-RQJHMYQMSA-N 1 2 254.294 -1.271 20 0 CAADLO C[C@H](C[N@H+](C)[C@@H](C)C(N)=O)NC(=O)c1nc[nH]n1 ZINC001322269389 884547105 /nfs/dbraw/zinc/54/71/05/884547105.db2.gz NKKLQTFAIIOGDY-RQJHMYQMSA-N 1 2 254.294 -1.271 20 0 CAADLO C[C@H](C[N@@H+](C)[C@@H](C)C(N)=O)NC(=O)c1nc[nH]n1 ZINC001322269389 884547119 /nfs/dbraw/zinc/54/71/19/884547119.db2.gz NKKLQTFAIIOGDY-RQJHMYQMSA-N 1 2 254.294 -1.271 20 0 CAADLO CC[NH+]1CCN(C(=O)C(=O)NCCC(=O)N(C)C)CC1 ZINC001322227749 884547356 /nfs/dbraw/zinc/54/73/56/884547356.db2.gz NKTJYEAXMNHPKX-UHFFFAOYSA-N 1 2 284.360 -1.255 20 0 CAADLO NC(=O)CNC(=S)NNc1[nH+]ncc(N)c1Cl ZINC001322617286 884567106 /nfs/dbraw/zinc/56/71/06/884567106.db2.gz HXERQLLMITZGPM-UHFFFAOYSA-N 1 2 275.725 -1.012 20 0 CAADLO C[C@H](C[N@H+](C)CC(=O)N(C)CC1CC1)NC(=O)C(N)=O ZINC001322236757 884547985 /nfs/dbraw/zinc/54/79/85/884547985.db2.gz MMFVMFBRGMJUSD-SECBINFHSA-N 1 2 284.360 -1.223 20 0 CAADLO C[C@H](C[N@@H+](C)CC(=O)N(C)CC1CC1)NC(=O)C(N)=O ZINC001322236757 884547998 /nfs/dbraw/zinc/54/79/98/884547998.db2.gz MMFVMFBRGMJUSD-SECBINFHSA-N 1 2 284.360 -1.223 20 0 CAADLO CNC(=O)[C@H]1C[N@H+](CCN2CCNC2=O)CCO1 ZINC001324134986 884651978 /nfs/dbraw/zinc/65/19/78/884651978.db2.gz ZVNZVDRNNMGWOG-SECBINFHSA-N 1 2 256.306 -1.542 20 0 CAADLO CNC(=O)[C@H]1C[N@@H+](CCN2CCNC2=O)CCO1 ZINC001324134986 884651983 /nfs/dbraw/zinc/65/19/83/884651983.db2.gz ZVNZVDRNNMGWOG-SECBINFHSA-N 1 2 256.306 -1.542 20 0 CAADLO O=C(NC[C@]1(O)CC[N@H+](CCF)C1)c1nnc[nH]1 ZINC001325141947 884715044 /nfs/dbraw/zinc/71/50/44/884715044.db2.gz QVGDTBHCZBISBW-SNVBAGLBSA-N 1 2 257.269 -1.059 20 0 CAADLO O=C(NC[C@]1(O)CC[N@@H+](CCF)C1)c1nnc[nH]1 ZINC001325141947 884715055 /nfs/dbraw/zinc/71/50/55/884715055.db2.gz QVGDTBHCZBISBW-SNVBAGLBSA-N 1 2 257.269 -1.059 20 0 CAADLO O=C(NC[C@]1(O)CC[N@H+](CCF)C1)c1ncn[nH]1 ZINC001325141947 884715064 /nfs/dbraw/zinc/71/50/64/884715064.db2.gz QVGDTBHCZBISBW-SNVBAGLBSA-N 1 2 257.269 -1.059 20 0 CAADLO O=C(NC[C@]1(O)CC[N@@H+](CCF)C1)c1ncn[nH]1 ZINC001325141947 884715077 /nfs/dbraw/zinc/71/50/77/884715077.db2.gz QVGDTBHCZBISBW-SNVBAGLBSA-N 1 2 257.269 -1.059 20 0 CAADLO COCCCC(=O)N[C@]1(CO)CCC[N@H+](CC(N)=O)C1 ZINC001325817152 884743499 /nfs/dbraw/zinc/74/34/99/884743499.db2.gz AWFLRDIKAMZNJC-CYBMUJFWSA-N 1 2 287.360 -1.159 20 0 CAADLO COCCCC(=O)N[C@]1(CO)CCC[N@@H+](CC(N)=O)C1 ZINC001325817152 884743510 /nfs/dbraw/zinc/74/35/10/884743510.db2.gz AWFLRDIKAMZNJC-CYBMUJFWSA-N 1 2 287.360 -1.159 20 0 CAADLO C[N@@H+]1CCO[C@H](C(=O)Nc2nnc3[nH]cnn23)C1 ZINC001326397909 884792926 /nfs/dbraw/zinc/79/29/26/884792926.db2.gz PMSPCJRAGREHKN-LURJTMIESA-N 1 2 251.250 -1.279 20 0 CAADLO C[N@H+]1CCO[C@H](C(=O)Nc2nnc3[nH]cnn23)C1 ZINC001326397909 884792936 /nfs/dbraw/zinc/79/29/36/884792936.db2.gz PMSPCJRAGREHKN-LURJTMIESA-N 1 2 251.250 -1.279 20 0 CAADLO C[N@H+](CCC(=O)NC(N)=O)CCS(C)(=O)=O ZINC001326566090 884807492 /nfs/dbraw/zinc/80/74/92/884807492.db2.gz BHMVONQZXBHRFL-UHFFFAOYSA-N 1 2 251.308 -1.452 20 0 CAADLO C[N@@H+](CCC(=O)NC(N)=O)CCS(C)(=O)=O ZINC001326566090 884807507 /nfs/dbraw/zinc/80/75/07/884807507.db2.gz BHMVONQZXBHRFL-UHFFFAOYSA-N 1 2 251.308 -1.452 20 0 CAADLO CO[C@H](C)C[N@@H+]1CCOC[C@H]1CNC(=O)CC(N)=O ZINC001326618637 884815304 /nfs/dbraw/zinc/81/53/04/884815304.db2.gz ZRXBTWDXBQBSSP-NXEZZACHSA-N 1 2 273.333 -1.286 20 0 CAADLO CO[C@H](C)C[N@H+]1CCOC[C@H]1CNC(=O)CC(N)=O ZINC001326618637 884815313 /nfs/dbraw/zinc/81/53/13/884815313.db2.gz ZRXBTWDXBQBSSP-NXEZZACHSA-N 1 2 273.333 -1.286 20 0 CAADLO NC(=O)Cn1ccc(NC(=O)[C@@H]2CSC[NH2+]2)n1 ZINC001326615084 884815463 /nfs/dbraw/zinc/81/54/63/884815463.db2.gz UNYOSETVARVFSN-LURJTMIESA-N 1 2 255.303 -1.031 20 0 CAADLO COC(=O)[C@H]([NH3+])Cc1cn(C2(C(=O)OC)CC2)nn1 ZINC001326956339 884850732 /nfs/dbraw/zinc/85/07/32/884850732.db2.gz MBWKJBPTKHAXRF-MRVPVSSYSA-N 1 2 268.273 -1.017 20 0 CAADLO COC(=O)CNC(=O)CNC(=O)Cc1[nH]c[nH+]c1C ZINC001327636692 884911798 /nfs/dbraw/zinc/91/17/98/884911798.db2.gz ZRLUORSKJKHQQL-UHFFFAOYSA-N 1 2 268.273 -1.334 20 0 CAADLO C[C@@H](c1nnnn1C1CC1)[N@H+]1CC[C@](O)(C(N)=O)C1 ZINC001327836849 884931078 /nfs/dbraw/zinc/93/10/78/884931078.db2.gz YAXIYELUGCIMOQ-WRWORJQWSA-N 1 2 266.305 -1.009 20 0 CAADLO NC(=O)C[C@H]1C[N@H+](CCN2C(=O)CCC2=O)CCO1 ZINC001328976712 885039673 /nfs/dbraw/zinc/03/96/73/885039673.db2.gz FUGBZWTWGPGFSH-VIFPVBQESA-N 1 2 269.301 -1.288 20 0 CAADLO NC(=O)C[C@H]1C[N@@H+](CCN2C(=O)CCC2=O)CCO1 ZINC001328976712 885039688 /nfs/dbraw/zinc/03/96/88/885039688.db2.gz FUGBZWTWGPGFSH-VIFPVBQESA-N 1 2 269.301 -1.288 20 0 CAADLO O=C(/C=C\C[NH+]1CCOCC1)NCC1(CO)COC1 ZINC001329377196 885095112 /nfs/dbraw/zinc/09/51/12/885095112.db2.gz FQTOHDXLYLVHEK-UPHRSURJSA-N 1 2 270.329 -1.000 20 0 CAADLO CC(C)CNC(=O)C[N@@H+](C)[C@H](C)CNC(=O)C(N)=O ZINC001329533584 885114814 /nfs/dbraw/zinc/11/48/14/885114814.db2.gz XJTCQJWVQINFPR-SECBINFHSA-N 1 2 272.349 -1.320 20 0 CAADLO C[C@H](CNC(=O)c1cn[nH]n1)[N@H+](C)CC(=O)N(C)C ZINC001329486001 885111231 /nfs/dbraw/zinc/11/12/31/885111231.db2.gz HMCRWWMBUCVCGA-MRVPVSSYSA-N 1 2 268.321 -1.057 20 0 CAADLO C[C@H](CNC(=O)c1cn[nH]n1)[N@@H+](C)CC(=O)N(C)C ZINC001329486001 885111258 /nfs/dbraw/zinc/11/12/58/885111258.db2.gz HMCRWWMBUCVCGA-MRVPVSSYSA-N 1 2 268.321 -1.057 20 0 CAADLO C[C@H](CNC(=O)c1cnn[nH]1)[N@H+](C)CC(=O)N(C)C ZINC001329486001 885111267 /nfs/dbraw/zinc/11/12/67/885111267.db2.gz HMCRWWMBUCVCGA-MRVPVSSYSA-N 1 2 268.321 -1.057 20 0 CAADLO C[C@H](CNC(=O)c1cnn[nH]1)[N@@H+](C)CC(=O)N(C)C ZINC001329486001 885111280 /nfs/dbraw/zinc/11/12/80/885111280.db2.gz HMCRWWMBUCVCGA-MRVPVSSYSA-N 1 2 268.321 -1.057 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@H](NC(=O)[C@H]2C[C@@H](O)C2)C1 ZINC001329791145 885138497 /nfs/dbraw/zinc/13/84/97/885138497.db2.gz AAWXVIOFWINIFY-LPEHRKFASA-N 1 2 255.318 -1.177 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@H](NC(=O)[C@H]2C[C@@H](O)C2)C1 ZINC001329791145 885138513 /nfs/dbraw/zinc/13/85/13/885138513.db2.gz AAWXVIOFWINIFY-LPEHRKFASA-N 1 2 255.318 -1.177 20 0 CAADLO O=C1CC[C@H](C[N@@H+]2CCN3C(=O)NC(=O)[C@H]3C2)O1 ZINC001329878172 885149348 /nfs/dbraw/zinc/14/93/48/885149348.db2.gz YXVMIUZRRMKHKR-HTQZYQBOSA-N 1 2 253.258 -1.072 20 0 CAADLO O=C1CC[C@H](C[N@H+]2CCN3C(=O)NC(=O)[C@H]3C2)O1 ZINC001329878172 885149360 /nfs/dbraw/zinc/14/93/60/885149360.db2.gz YXVMIUZRRMKHKR-HTQZYQBOSA-N 1 2 253.258 -1.072 20 0 CAADLO O=C(C[N@@H+]1C[C@H](O)[C@@H](CO)C1)Nc1cnccn1 ZINC001329893636 885151856 /nfs/dbraw/zinc/15/18/56/885151856.db2.gz WIRNTSZNBCFBDB-BDAKNGLRSA-N 1 2 252.274 -1.300 20 0 CAADLO O=C(C[N@H+]1C[C@H](O)[C@@H](CO)C1)Nc1cnccn1 ZINC001329893636 885151859 /nfs/dbraw/zinc/15/18/59/885151859.db2.gz WIRNTSZNBCFBDB-BDAKNGLRSA-N 1 2 252.274 -1.300 20 0 CAADLO O=C1NC(=O)[C@@]2(CCC[N@H+](Cc3nnc[nH]3)C2)N1 ZINC001330568053 885208543 /nfs/dbraw/zinc/20/85/43/885208543.db2.gz RNLDZRXQLWTQHW-JTQLQIEISA-N 1 2 250.262 -1.021 20 0 CAADLO O=C1NC(=O)[C@@]2(CCC[N@@H+](Cc3nnc[nH]3)C2)N1 ZINC001330568053 885208556 /nfs/dbraw/zinc/20/85/56/885208556.db2.gz RNLDZRXQLWTQHW-JTQLQIEISA-N 1 2 250.262 -1.021 20 0 CAADLO COC(=O)C[C@@H]1C(=O)NCC[N@@H+]1C[C@H]1CNC(=O)C1 ZINC001330544729 885202935 /nfs/dbraw/zinc/20/29/35/885202935.db2.gz JUPBNLVIEFZNQB-RKDXNWHRSA-N 1 2 269.301 -1.514 20 0 CAADLO CC(C)(C(N)=O)N1CC[NH+](CCn2cnnn2)CC1 ZINC001330660958 885218334 /nfs/dbraw/zinc/21/83/34/885218334.db2.gz GPBPHHZNIPPREY-UHFFFAOYSA-N 1 2 267.337 -1.445 20 0 CAADLO CC(C)(C(N)=O)[NH+]1CCN(CCn2cnnn2)CC1 ZINC001330660958 885218352 /nfs/dbraw/zinc/21/83/52/885218352.db2.gz GPBPHHZNIPPREY-UHFFFAOYSA-N 1 2 267.337 -1.445 20 0 CAADLO O=C1CC[N@H+](CCn2cncn2)C2(COC2)CN1 ZINC001330730289 885224339 /nfs/dbraw/zinc/22/43/39/885224339.db2.gz ALWXYVDKKYUXOS-UHFFFAOYSA-N 1 2 251.290 -1.131 20 0 CAADLO O=C1CC[N@@H+](CCn2cncn2)C2(COC2)CN1 ZINC001330730289 885224348 /nfs/dbraw/zinc/22/43/48/885224348.db2.gz ALWXYVDKKYUXOS-UHFFFAOYSA-N 1 2 251.290 -1.131 20 0 CAADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCCS(N)(=O)=O ZINC001331166984 885255666 /nfs/dbraw/zinc/25/56/66/885255666.db2.gz TVHKIWQOYCCNPO-SSDOTTSWSA-N 1 2 260.319 -1.007 20 0 CAADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCCS(N)(=O)=O ZINC001331166984 885255684 /nfs/dbraw/zinc/25/56/84/885255684.db2.gz TVHKIWQOYCCNPO-SSDOTTSWSA-N 1 2 260.319 -1.007 20 0 CAADLO CN(C(=O)C(N)=O)[C@@H](C[NH2+]Cc1cnon1)C1CC1 ZINC001331319668 885273669 /nfs/dbraw/zinc/27/36/69/885273669.db2.gz PXYBGSRPQPEEBQ-VIFPVBQESA-N 1 2 267.289 -1.119 20 0 CAADLO C[C@H]([NH2+][C@@H](CO)CNC(=O)C1CC1)c1nnnn1C ZINC001331662261 885302531 /nfs/dbraw/zinc/30/25/31/885302531.db2.gz GQQQMJFWGUAWFN-IONNQARKSA-N 1 2 268.321 -1.252 20 0 CAADLO C[C@@H]([NH2+][C@H](CO)CNC(=O)C1CC1)c1nnnn1C ZINC001331662247 885304273 /nfs/dbraw/zinc/30/42/73/885304273.db2.gz GQQQMJFWGUAWFN-APPZFPTMSA-N 1 2 268.321 -1.252 20 0 CAADLO O=C1NC(=O)N2CC[N@@H+](CCn3cnnn3)C[C@H]12 ZINC001331758201 885337933 /nfs/dbraw/zinc/33/79/33/885337933.db2.gz HCBMPZKTCMGZFW-SSDOTTSWSA-N 1 2 251.250 -2.091 20 0 CAADLO Cn1ccc(C[NH2+][C@@H](CO)CNC(=O)C(N)=O)n1 ZINC001331775314 885346439 /nfs/dbraw/zinc/34/64/39/885346439.db2.gz RHEXASLSIQFQRK-MRVPVSSYSA-N 1 2 255.278 -2.528 20 0 CAADLO CN1CC[N@H+](C)[C@H](CNC(=O)C[C@@H]2CCNC2=O)C1 ZINC001331895408 885363253 /nfs/dbraw/zinc/36/32/53/885363253.db2.gz WCMGFMXBWFUUFN-WDEREUQCSA-N 1 2 268.361 -1.125 20 0 CAADLO CN1CC[N@@H+](C)[C@H](CNC(=O)C[C@@H]2CCNC2=O)C1 ZINC001331895408 885363278 /nfs/dbraw/zinc/36/32/78/885363278.db2.gz WCMGFMXBWFUUFN-WDEREUQCSA-N 1 2 268.361 -1.125 20 0 CAADLO COC(=O)[C@H](CO)NC(=O)/C=C/C[NH+]1CCOCC1 ZINC001331928856 885365205 /nfs/dbraw/zinc/36/52/05/885365205.db2.gz HIDDMQAXOLTADK-PBKGFPTLSA-N 1 2 272.301 -1.475 20 0 CAADLO CCc1nnc(C[NH2+]C[C@@H](O)CN(C)C(=O)C(N)=O)o1 ZINC001332559049 885420617 /nfs/dbraw/zinc/42/06/17/885420617.db2.gz AEUAPGUEFARLAN-SSDOTTSWSA-N 1 2 285.304 -1.974 20 0 CAADLO O=C1NC[C@@H]2C[N@H+](C[C@H]3COCCO3)CCN2C1=O ZINC001333836626 885508308 /nfs/dbraw/zinc/50/83/08/885508308.db2.gz PSOUSSUNIRPEEE-ZJUUUORDSA-N 1 2 269.301 -1.956 20 0 CAADLO O=C1NC[C@@H]2C[N@@H+](C[C@H]3COCCO3)CCN2C1=O ZINC001333836626 885508319 /nfs/dbraw/zinc/50/83/19/885508319.db2.gz PSOUSSUNIRPEEE-ZJUUUORDSA-N 1 2 269.301 -1.956 20 0 CAADLO C[C@H](C(=O)N1CCC(O)(c2nn[nH]n2)CC1)[NH+](C)C ZINC001334138775 885526928 /nfs/dbraw/zinc/52/69/28/885526928.db2.gz HJPAOHANJNKFTN-MRVPVSSYSA-N 1 2 268.321 -1.040 20 0 CAADLO C[N@@H+]1CC[C@@H]1CNC(=O)C(=O)N1C[C@@H]2C[C@H]1C[S@]2=O ZINC001335074988 885580299 /nfs/dbraw/zinc/58/02/99/885580299.db2.gz IKTSNDILFAMAMY-ONYJAPRBSA-N 1 2 285.369 -1.462 20 0 CAADLO C[N@H+]1CC[C@@H]1CNC(=O)C(=O)N1C[C@@H]2C[C@H]1C[S@]2=O ZINC001335074988 885580311 /nfs/dbraw/zinc/58/03/11/885580311.db2.gz IKTSNDILFAMAMY-ONYJAPRBSA-N 1 2 285.369 -1.462 20 0 CAADLO O=C(C[N@@H+]1C[C@@H](O)[C@H](CO)C1)Nc1cccnn1 ZINC001334948209 885570714 /nfs/dbraw/zinc/57/07/14/885570714.db2.gz HAKMZBDSWYJDAN-DTWKUNHWSA-N 1 2 252.274 -1.300 20 0 CAADLO O=C(C[N@H+]1C[C@@H](O)[C@H](CO)C1)Nc1cccnn1 ZINC001334948209 885570722 /nfs/dbraw/zinc/57/07/22/885570722.db2.gz HAKMZBDSWYJDAN-DTWKUNHWSA-N 1 2 252.274 -1.300 20 0 CAADLO O=C(C[N@@H+]1C[C@H](O)[C@H](CO)C1)Nc1cccnn1 ZINC001334948210 885571547 /nfs/dbraw/zinc/57/15/47/885571547.db2.gz HAKMZBDSWYJDAN-IUCAKERBSA-N 1 2 252.274 -1.300 20 0 CAADLO O=C(C[N@H+]1C[C@H](O)[C@H](CO)C1)Nc1cccnn1 ZINC001334948210 885571566 /nfs/dbraw/zinc/57/15/66/885571566.db2.gz HAKMZBDSWYJDAN-IUCAKERBSA-N 1 2 252.274 -1.300 20 0 CAADLO Cn1c[nH+]c(CCNC(=O)CN2CCNC(=O)C2)c1 ZINC001334996659 885576065 /nfs/dbraw/zinc/57/60/65/885576065.db2.gz JSXVHYOPICTJIH-UHFFFAOYSA-N 1 2 265.317 -1.489 20 0 CAADLO C[N@@H+]1CCO[C@@H](C(=O)NC(C)(C)CNC(N)=O)C1 ZINC001336730366 885681555 /nfs/dbraw/zinc/68/15/55/885681555.db2.gz AOQNTJKEQICTEC-MRVPVSSYSA-N 1 2 258.322 -1.120 20 0 CAADLO C[N@H+]1CCO[C@@H](C(=O)NC(C)(C)CNC(N)=O)C1 ZINC001336730366 885681566 /nfs/dbraw/zinc/68/15/66/885681566.db2.gz AOQNTJKEQICTEC-MRVPVSSYSA-N 1 2 258.322 -1.120 20 0 CAADLO C[N@@H+]1CCO[C@H](C(=O)NC(C)(C)CNC(N)=O)C1 ZINC001336730367 885682513 /nfs/dbraw/zinc/68/25/13/885682513.db2.gz AOQNTJKEQICTEC-QMMMGPOBSA-N 1 2 258.322 -1.120 20 0 CAADLO C[N@H+]1CCO[C@H](C(=O)NC(C)(C)CNC(N)=O)C1 ZINC001336730367 885682521 /nfs/dbraw/zinc/68/25/21/885682521.db2.gz AOQNTJKEQICTEC-QMMMGPOBSA-N 1 2 258.322 -1.120 20 0 CAADLO Cc1nc(=NC(=O)CN2CC[NH+](C)CC2)n(C)[nH]1 ZINC001337825705 885721861 /nfs/dbraw/zinc/72/18/61/885721861.db2.gz AQFIYGRDUAXDNH-UHFFFAOYSA-N 1 2 252.322 -1.269 20 0 CAADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)N[C@@H]1CNOC1 ZINC001338522090 885749489 /nfs/dbraw/zinc/74/94/89/885749489.db2.gz SKPDJANGSTYVQP-NXEZZACHSA-N 1 2 258.322 -1.090 20 0 CAADLO C[C@@H]1COCC[N@H+]1CCNC(=O)N[C@@H]1CNOC1 ZINC001338522090 885749495 /nfs/dbraw/zinc/74/94/95/885749495.db2.gz SKPDJANGSTYVQP-NXEZZACHSA-N 1 2 258.322 -1.090 20 0 CAADLO CC(=O)NC[C@@H](O)CN(C)C(=O)Cn1cc[nH+]c1 ZINC001338548566 885750242 /nfs/dbraw/zinc/75/02/42/885750242.db2.gz NBHXOLFCPAAMLU-SNVBAGLBSA-N 1 2 254.290 -1.162 20 0 CAADLO O=C(NCc1nn[nH]n1)C1C[NH+]([C@H]2CCOC2)C1 ZINC001339070438 885763359 /nfs/dbraw/zinc/76/33/59/885763359.db2.gz SEJKOMABGSBXRM-QMMMGPOBSA-N 1 2 252.278 -1.463 20 0 CAADLO C[C@H](NC(=O)[C@@H]1CC(=O)N1)[C@@H]1CN(C)CC[N@@H+]1C ZINC001339088511 885765158 /nfs/dbraw/zinc/76/51/58/885765158.db2.gz WGEYYNMCUNEGAA-GUBZILKMSA-N 1 2 254.334 -1.375 20 0 CAADLO C[C@H](NC(=O)[C@@H]1CC(=O)N1)[C@@H]1CN(C)CC[N@H+]1C ZINC001339088511 885765171 /nfs/dbraw/zinc/76/51/71/885765171.db2.gz WGEYYNMCUNEGAA-GUBZILKMSA-N 1 2 254.334 -1.375 20 0 CAADLO C[C@H](C(=O)NCCO[C@@H]1CCOC1)N1CC[NH2+]CC1=O ZINC001341327728 885835598 /nfs/dbraw/zinc/83/55/98/885835598.db2.gz MUJTWPQZOJYSIL-GHMZBOCLSA-N 1 2 285.344 -1.272 20 0 CAADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)c1cn[nH]n1 ZINC001341390193 885837095 /nfs/dbraw/zinc/83/70/95/885837095.db2.gz FLWLBBLVANWPCJ-VIFPVBQESA-N 1 2 269.305 -1.430 20 0 CAADLO C[C@H](C(=O)N[C@H]1C[C@H](CO)C1)N1CC[NH2+]CC1=O ZINC001341278038 885832529 /nfs/dbraw/zinc/83/25/29/885832529.db2.gz UMCARPXEFFACMK-OPRDCNLKSA-N 1 2 255.318 -1.306 20 0 CAADLO NC(=O)[C@H]1CN(C(=O)C[C@@H]([NH3+])C(F)F)CCO1 ZINC001341520694 885846490 /nfs/dbraw/zinc/84/64/90/885846490.db2.gz JRBYZFHSDOZORI-PHDIDXHHSA-N 1 2 251.233 -1.318 20 0 CAADLO O=C1NC(=O)N2CC[N@H+](CCN3CCOCC3)C[C@@H]12 ZINC001341944248 885863591 /nfs/dbraw/zinc/86/35/91/885863591.db2.gz HMOOPTIRWZPQOP-JTQLQIEISA-N 1 2 268.317 -1.445 20 0 CAADLO O=C1NC(=O)N2CC[N@@H+](CCN3CCOCC3)C[C@@H]12 ZINC001341944248 885863601 /nfs/dbraw/zinc/86/36/01/885863601.db2.gz HMOOPTIRWZPQOP-JTQLQIEISA-N 1 2 268.317 -1.445 20 0 CAADLO O=C1NC(=O)N2CCN(CC[NH+]3CCOCC3)C[C@@H]12 ZINC001341944248 885863615 /nfs/dbraw/zinc/86/36/15/885863615.db2.gz HMOOPTIRWZPQOP-JTQLQIEISA-N 1 2 268.317 -1.445 20 0 CAADLO Cn1c[nH+]cc1COC(=O)c1cn(CC(N)=O)nn1 ZINC001342539356 885889713 /nfs/dbraw/zinc/88/97/13/885889713.db2.gz QNMVNERDKJKDMH-UHFFFAOYSA-N 1 2 264.245 -1.146 20 0 CAADLO O=C(CN1CCNC(=O)C1)OCCn1cc[nH+]c1 ZINC001343457877 885917690 /nfs/dbraw/zinc/91/76/90/885917690.db2.gz WATABCAANHVXKR-UHFFFAOYSA-N 1 2 252.274 -1.142 20 0 CAADLO C[C@@H]1C[N@@H+](CCNC(=O)CN2C(=O)CCC2=O)CCO1 ZINC001346274765 885995834 /nfs/dbraw/zinc/99/58/34/885995834.db2.gz YLQGAJHIROXXDE-SNVBAGLBSA-N 1 2 283.328 -1.028 20 0 CAADLO CCOC(=O)[C@H](N)C(=O)N[C@H]1CCC[N@H+](CC(N)=O)C1 ZINC001347157184 886029631 /nfs/dbraw/zinc/02/96/31/886029631.db2.gz IGWYNJONVTYHPC-WCBMZHEXSA-N 1 2 286.332 -2.057 20 0 CAADLO CCOC(=O)[C@H](N)C(=O)N[C@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001347157184 886029644 /nfs/dbraw/zinc/02/96/44/886029644.db2.gz IGWYNJONVTYHPC-WCBMZHEXSA-N 1 2 286.332 -2.057 20 0 CAADLO OC[C@@H](O)Cn1cc(CC[NH+]2CCOCC2)nn1 ZINC001346588252 886014059 /nfs/dbraw/zinc/01/40/59/886014059.db2.gz DLIKMJHGHCHGIQ-NSHDSACASA-N 1 2 256.306 -1.494 20 0 CAADLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)Cn1ncnn1 ZINC001346808027 886016440 /nfs/dbraw/zinc/01/64/40/886016440.db2.gz WLLJSXCIYXKTFN-JTQLQIEISA-N 1 2 268.321 -1.148 20 0 CAADLO C[N@@H+]1CCO[C@H](C(=O)Nc2n[nH]cc2C(N)=O)C1 ZINC001347523984 886044990 /nfs/dbraw/zinc/04/49/90/886044990.db2.gz SBRGXJDCCAOGHF-ZETCQYMHSA-N 1 2 253.262 -1.222 20 0 CAADLO C[N@H+]1CCO[C@H](C(=O)Nc2n[nH]cc2C(N)=O)C1 ZINC001347523984 886045005 /nfs/dbraw/zinc/04/50/05/886045005.db2.gz SBRGXJDCCAOGHF-ZETCQYMHSA-N 1 2 253.262 -1.222 20 0 CAADLO O=C(/C=C/C[NH+]1CCOCC1)NCC(=O)NCCO ZINC001348559144 886090890 /nfs/dbraw/zinc/09/08/90/886090890.db2.gz CLNVGJYMUYLDSN-OWOJBTEDSA-N 1 2 271.317 -1.901 20 0 CAADLO C[C@@H]1CN(CCO)CC[N@@H+]1CCc1nnnn1C ZINC001349646447 886141265 /nfs/dbraw/zinc/14/12/65/886141265.db2.gz JXSGUPZVPGOBGU-SNVBAGLBSA-N 1 2 254.338 -1.249 20 0 CAADLO C[C@@H]1CN(CCO)CC[N@H+]1CCc1nnnn1C ZINC001349646447 886141272 /nfs/dbraw/zinc/14/12/72/886141272.db2.gz JXSGUPZVPGOBGU-SNVBAGLBSA-N 1 2 254.338 -1.249 20 0 CAADLO C[C@H](C(N)=O)[NH+]1CCC(NS(N)(=O)=O)CC1 ZINC001351486746 886207785 /nfs/dbraw/zinc/20/77/85/886207785.db2.gz HZRKCKHFEJIITA-ZCFIWIBFSA-N 1 2 250.324 -1.882 20 0 CAADLO C[N@@H+](Cc1nc(N)nc(N)n1)[C@H]1C[C@@H](C(N)=O)C1 ZINC001351486676 886207285 /nfs/dbraw/zinc/20/72/85/886207285.db2.gz GREYTGGSYXQBFX-OLQVQODUSA-N 1 2 251.294 -1.268 20 0 CAADLO CC(=O)NCC[NH+]1CCN(C(=O)CC(=O)N(C)C)CC1 ZINC001352679159 886245177 /nfs/dbraw/zinc/24/51/77/886245177.db2.gz MGSMJYANWBCVCO-UHFFFAOYSA-N 1 2 284.360 -1.255 20 0 CAADLO C[C@@H](CNC(=O)CCc1c[nH+]cn1C)NC(=O)C(N)=O ZINC001354637693 886317946 /nfs/dbraw/zinc/31/79/46/886317946.db2.gz GSDAXIBDWTUPQQ-QMMMGPOBSA-N 1 2 281.316 -1.541 20 0 CAADLO C[N@@H+]1CCO[C@@H](C(=O)NC2(CNC(=O)C(N)=O)CC2)C1 ZINC001358689570 886438658 /nfs/dbraw/zinc/43/86/58/886438658.db2.gz WSEZBEALTBYFKK-MRVPVSSYSA-N 1 2 284.316 -2.433 20 0 CAADLO C[N@H+]1CCO[C@@H](C(=O)NC2(CNC(=O)C(N)=O)CC2)C1 ZINC001358689570 886438663 /nfs/dbraw/zinc/43/86/63/886438663.db2.gz WSEZBEALTBYFKK-MRVPVSSYSA-N 1 2 284.316 -2.433 20 0 CAADLO NS(=O)(=O)CCNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001362125668 886539698 /nfs/dbraw/zinc/53/96/98/886539698.db2.gz KYCVYKORUMTZEQ-QMMMGPOBSA-N 1 2 272.330 -1.150 20 0 CAADLO NS(=O)(=O)c1n[nH]cc1C(=O)NCCn1cc[nH+]c1 ZINC001362088346 886530690 /nfs/dbraw/zinc/53/06/90/886530690.db2.gz IHRBCWBLBGSUEL-UHFFFAOYSA-N 1 2 284.301 -1.316 20 0 CAADLO CCOC(=O)CN(CC(N)=O)C(=O)[C@H]1CC[N@@H+]1CC ZINC001362159053 886548650 /nfs/dbraw/zinc/54/86/50/886548650.db2.gz HVNFEVUKBLLGKJ-SECBINFHSA-N 1 2 271.317 -1.042 20 0 CAADLO CCOC(=O)CN(CC(N)=O)C(=O)[C@H]1CC[N@H+]1CC ZINC001362159053 886548655 /nfs/dbraw/zinc/54/86/55/886548655.db2.gz HVNFEVUKBLLGKJ-SECBINFHSA-N 1 2 271.317 -1.042 20 0 CAADLO Cn1c[nH+]cc1CCNC(=O)C1(S(N)(=O)=O)CC1 ZINC001362570734 886648824 /nfs/dbraw/zinc/64/88/24/886648824.db2.gz MZMDUMHMHGPEDI-UHFFFAOYSA-N 1 2 272.330 -1.100 20 0 CAADLO O=C(CC1CS(=O)(=O)C1)NCC[N@H+]1CC[C@@H](O)C1 ZINC001363130750 886799651 /nfs/dbraw/zinc/79/96/51/886799651.db2.gz VFMLKHSQJRVMRK-SNVBAGLBSA-N 1 2 276.358 -1.396 20 0 CAADLO O=C(CC1CS(=O)(=O)C1)NCC[N@@H+]1CC[C@@H](O)C1 ZINC001363130750 886799661 /nfs/dbraw/zinc/79/96/61/886799661.db2.gz VFMLKHSQJRVMRK-SNVBAGLBSA-N 1 2 276.358 -1.396 20 0 CAADLO CS(=O)(=O)C[C@@H](O)CNC(=O)CC[N@@H+]1CC[C@@H](F)C1 ZINC001363781740 886979685 /nfs/dbraw/zinc/97/96/85/886979685.db2.gz OJZROVNZAKGFTO-ZJUUUORDSA-N 1 2 296.364 -1.058 20 0 CAADLO CS(=O)(=O)C[C@@H](O)CNC(=O)CC[N@H+]1CC[C@@H](F)C1 ZINC001363781740 886979689 /nfs/dbraw/zinc/97/96/89/886979689.db2.gz OJZROVNZAKGFTO-ZJUUUORDSA-N 1 2 296.364 -1.058 20 0 CAADLO CO[C@@H]1C[N@H+](CC(=O)NCC(=O)NC(C)(C)C)C[C@H]1O ZINC001363798641 886983219 /nfs/dbraw/zinc/98/32/19/886983219.db2.gz XKSVFCKIOPLVBV-NXEZZACHSA-N 1 2 287.360 -1.291 20 0 CAADLO CO[C@@H]1C[N@@H+](CC(=O)NCC(=O)NC(C)(C)C)C[C@H]1O ZINC001363798641 886983229 /nfs/dbraw/zinc/98/32/29/886983229.db2.gz XKSVFCKIOPLVBV-NXEZZACHSA-N 1 2 287.360 -1.291 20 0 CAADLO CNC(=O)NCC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC ZINC001363799311 886984286 /nfs/dbraw/zinc/98/42/86/886984286.db2.gz HMHSRGDRAQXHHM-QMMMGPOBSA-N 1 2 282.304 -1.888 20 0 CAADLO COCCS(=O)(=O)CCC[N@@H+]1CC[C@@H](O)[C@@H](O)C1 ZINC001363813782 886987379 /nfs/dbraw/zinc/98/73/79/886987379.db2.gz NAXJURCZLBIHAH-MNOVXSKESA-N 1 2 281.374 -1.135 20 0 CAADLO COCCS(=O)(=O)CCC[N@H+]1CC[C@@H](O)[C@@H](O)C1 ZINC001363813782 886987392 /nfs/dbraw/zinc/98/73/92/886987392.db2.gz NAXJURCZLBIHAH-MNOVXSKESA-N 1 2 281.374 -1.135 20 0 CAADLO CNC(=O)CN(CC(=O)NC)C(=O)CCc1c[nH+]c[nH]1 ZINC001363887545 886999705 /nfs/dbraw/zinc/99/97/05/886999705.db2.gz OOANZRYTOLHDAH-UHFFFAOYSA-N 1 2 281.316 -1.337 20 0 CAADLO COC(=O)[C@@](C)(CO)NS(=O)(=O)CCn1cc[nH+]c1 ZINC001363999272 887014952 /nfs/dbraw/zinc/01/49/52/887014952.db2.gz GWHBGSVRZZPQCI-SNVBAGLBSA-N 1 2 291.329 -1.274 20 0 CAADLO COC(=O)CNC(=O)[C@H](C)[NH2+][C@@H](C)c1nnnn1C ZINC001364834492 887141578 /nfs/dbraw/zinc/14/15/78/887141578.db2.gz CKXQBFCGWVMDIV-BQBZGAKWSA-N 1 2 270.293 -1.462 20 0 CAADLO C[C@@H]1CC[N@H+](CC(=O)NC[C@H](O)CS(C)(=O)=O)C1 ZINC001365065378 887167197 /nfs/dbraw/zinc/16/71/97/887167197.db2.gz OPOIXFQOCPJERZ-ZJUUUORDSA-N 1 2 278.374 -1.150 20 0 CAADLO C[C@@H]1CC[N@@H+](CC(=O)NC[C@H](O)CS(C)(=O)=O)C1 ZINC001365065378 887167212 /nfs/dbraw/zinc/16/72/12/887167212.db2.gz OPOIXFQOCPJERZ-ZJUUUORDSA-N 1 2 278.374 -1.150 20 0 CAADLO CN(CC[NH+]1CCOCC1)C(=O)NCc1nc(N)n[nH]1 ZINC001365426307 887208528 /nfs/dbraw/zinc/20/85/28/887208528.db2.gz UUHDIXBAYDFFCN-UHFFFAOYSA-N 1 2 283.336 -1.140 20 0 CAADLO COC(=O)C1(O)CN(S(=O)(=O)CCn2cc[nH+]c2)C1 ZINC001365457046 887216343 /nfs/dbraw/zinc/21/63/43/887216343.db2.gz CMONOBJJWKKIIV-UHFFFAOYSA-N 1 2 289.313 -1.567 20 0 CAADLO CN(CCS(N)(=O)=O)C(=O)NCCc1cn(C)c[nH+]1 ZINC001365641851 887225198 /nfs/dbraw/zinc/22/51/98/887225198.db2.gz LRMVYMJWFOVJRZ-UHFFFAOYSA-N 1 2 289.361 -1.108 20 0 CAADLO CO[C@@H]1CCOC[C@H]1NS(=O)(=O)N1CC[NH+](C)CC1 ZINC001365741118 887246798 /nfs/dbraw/zinc/24/67/98/887246798.db2.gz CPOCPAISJRZBDI-GHMZBOCLSA-N 1 2 293.389 -1.128 20 0 CAADLO C[C@@H](CNC(=O)Cn1cnnn1)[NH2+]Cc1cnsn1 ZINC001366254258 887278284 /nfs/dbraw/zinc/27/82/84/887278284.db2.gz VYSNOQDORZAUHG-ZETCQYMHSA-N 1 2 282.333 -1.181 20 0 CAADLO CCOCC(=O)NC[C@H](C)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001366254055 887279352 /nfs/dbraw/zinc/27/93/52/887279352.db2.gz RXSGPHFYQFPQNN-QMMMGPOBSA-N 1 2 271.321 -1.261 20 0 CAADLO CC(C)NC(=O)C[N@H+](C)CCNC(=O)[C@H]1COC(=O)N1 ZINC001366524805 887309620 /nfs/dbraw/zinc/30/96/20/887309620.db2.gz MNWFEICNZINRTM-SECBINFHSA-N 1 2 286.332 -1.333 20 0 CAADLO CC(C)NC(=O)C[N@@H+](C)CCNC(=O)[C@H]1COC(=O)N1 ZINC001366524805 887309638 /nfs/dbraw/zinc/30/96/38/887309638.db2.gz MNWFEICNZINRTM-SECBINFHSA-N 1 2 286.332 -1.333 20 0 CAADLO CCNC(=O)C[NH+]1CC(CNC(=O)Cn2ncnn2)C1 ZINC001366964673 887350431 /nfs/dbraw/zinc/35/04/31/887350431.db2.gz WQPJEXFLXATOPQ-UHFFFAOYSA-N 1 2 281.320 -2.143 20 0 CAADLO CC(C)(C)[C@H](NC(N)=O)C(=O)NCC1C[NH+](CC(N)=O)C1 ZINC001366980648 887355489 /nfs/dbraw/zinc/35/54/89/887355489.db2.gz BUUJJAPXDHNJNC-SNVBAGLBSA-N 1 2 299.375 -1.397 20 0 CAADLO CN1CC[C@@H](CC(=O)NCC2C[NH+](CC(N)=O)C2)C1=O ZINC001366976990 887355749 /nfs/dbraw/zinc/35/57/49/887355749.db2.gz XDOCVRMBSPUYLB-JTQLQIEISA-N 1 2 282.344 -1.612 20 0 CAADLO CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@H](COC)OC)C1 ZINC001367034074 887360072 /nfs/dbraw/zinc/36/00/72/887360072.db2.gz MBRFLMKMIGXNDI-MNOVXSKESA-N 1 2 287.360 -1.026 20 0 CAADLO CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@H](COC)OC)C1 ZINC001367034074 887360079 /nfs/dbraw/zinc/36/00/79/887360079.db2.gz MBRFLMKMIGXNDI-MNOVXSKESA-N 1 2 287.360 -1.026 20 0 CAADLO COC[C@H](O)C[NH+]1CC(NC(=O)Cc2cnn(C)c2)C1 ZINC001366917718 887343966 /nfs/dbraw/zinc/34/39/66/887343966.db2.gz QXBJCYKHLRIKIF-GFCCVEGCSA-N 1 2 282.344 -1.230 20 0 CAADLO CNC(=O)C[N@@H+](C)CCN(C)C(=O)C[C@H]1CCN(C)C1=O ZINC001367523293 887387902 /nfs/dbraw/zinc/38/79/02/887387902.db2.gz IIOCDAUGVMMNLK-LLVKDONJSA-N 1 2 298.387 -1.009 20 0 CAADLO CN(CC[N@H+](C)CC(N)=O)C(=O)C[C@@H]1COC(=O)C1 ZINC001367506957 887385386 /nfs/dbraw/zinc/38/53/86/887385386.db2.gz KQNHJTCKFLYKSJ-VIFPVBQESA-N 1 2 271.317 -1.185 20 0 CAADLO CN(CC[N@@H+](C)CC(N)=O)C(=O)C[C@@H]1COC(=O)C1 ZINC001367506957 887385402 /nfs/dbraw/zinc/38/54/02/887385402.db2.gz KQNHJTCKFLYKSJ-VIFPVBQESA-N 1 2 271.317 -1.185 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(N(C)C(=O)[C@@H]2CCC(=O)N2)C1 ZINC001368088671 887453860 /nfs/dbraw/zinc/45/38/60/887453860.db2.gz QKACLSVRBCNAEK-QWRGUYRKSA-N 1 2 285.344 -1.585 20 0 CAADLO CCNC(=O)CCC(=O)NC[C@H]1CC[N@@H+]1[C@@H](C)C(N)=O ZINC001367934254 887442728 /nfs/dbraw/zinc/44/27/28/887442728.db2.gz KLKONFXAFKGYFO-VHSXEESVSA-N 1 2 284.360 -1.033 20 0 CAADLO CCNC(=O)CCC(=O)NC[C@H]1CC[N@H+]1[C@@H](C)C(N)=O ZINC001367934254 887442737 /nfs/dbraw/zinc/44/27/37/887442737.db2.gz KLKONFXAFKGYFO-VHSXEESVSA-N 1 2 284.360 -1.033 20 0 CAADLO CO[C@@H](C)C[NH+]1CC(O)(CNC(=O)[C@H](C)NC(C)=O)C1 ZINC001368281396 887465910 /nfs/dbraw/zinc/46/59/10/887465910.db2.gz TVCLUFYJSPOHIL-UWVGGRQHSA-N 1 2 287.360 -1.291 20 0 CAADLO Cc1cn(C)nc1C(=O)NCC1(O)C[NH+](C[C@@H](C)O)C1 ZINC001368297030 887473913 /nfs/dbraw/zinc/47/39/13/887473913.db2.gz WEJIIRIXHYNSEU-SNVBAGLBSA-N 1 2 282.344 -1.114 20 0 CAADLO CNC(=O)NCC(=O)N[C@H]1COC2(C[NH+](CCO)C2)C1 ZINC001368603579 887494662 /nfs/dbraw/zinc/49/46/62/887494662.db2.gz MMCDZSSNMBDUTL-SECBINFHSA-N 1 2 286.332 -2.133 20 0 CAADLO CC(=O)NCC(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc1nnn(C)n1 ZINC001368832900 887504005 /nfs/dbraw/zinc/50/40/05/887504005.db2.gz LHKASGJKFVZYHM-SFYZADRCSA-N 1 2 283.336 -1.671 20 0 CAADLO C[N@@H+]1CCO[C@H](C(=O)NC2(CCO)CN(CCF)C2)C1 ZINC001369018987 887516308 /nfs/dbraw/zinc/51/63/08/887516308.db2.gz YQCBXDYRZOBPAB-NSHDSACASA-N 1 2 289.351 -1.161 20 0 CAADLO C[N@H+]1CCO[C@H](C(=O)NC2(CCO)CN(CCF)C2)C1 ZINC001369018987 887516311 /nfs/dbraw/zinc/51/63/11/887516311.db2.gz YQCBXDYRZOBPAB-NSHDSACASA-N 1 2 289.351 -1.161 20 0 CAADLO CNS(=O)(=O)CC(=O)NC1(CCO)C[NH+](C(C)C)C1 ZINC001369033780 887518448 /nfs/dbraw/zinc/51/84/48/887518448.db2.gz GUDACYGMDTWBSB-UHFFFAOYSA-N 1 2 293.389 -1.503 20 0 CAADLO C[C@@H](CC(N)=O)C(=O)NC1(CCO)C[NH+](CCCO)C1 ZINC001369025384 887518747 /nfs/dbraw/zinc/51/87/47/887518747.db2.gz LKSBMNAAXXJRBL-JTQLQIEISA-N 1 2 287.360 -1.567 20 0 CAADLO CC[C@H](OC)C(=O)NC[C@@H](CO)[NH2+]Cc1nncn1C ZINC001369314634 887536363 /nfs/dbraw/zinc/53/63/63/887536363.db2.gz SMTMPCJVJBHPRE-UWVGGRQHSA-N 1 2 285.348 -1.193 20 0 CAADLO CN(C[C@H](O)C[N@H+](C)CCO)C(=O)Cc1ncn[nH]1 ZINC001369509219 887583395 /nfs/dbraw/zinc/58/33/95/887583395.db2.gz BXPWWDNTYKNKID-SECBINFHSA-N 1 2 271.321 -1.909 20 0 CAADLO CN(C[C@H](O)C[N@@H+](C)CCO)C(=O)Cc1ncn[nH]1 ZINC001369509219 887583405 /nfs/dbraw/zinc/58/34/05/887583405.db2.gz BXPWWDNTYKNKID-SECBINFHSA-N 1 2 271.321 -1.909 20 0 CAADLO CNC(=O)NC(=O)C[N@H+](CCNC(C)=O)CCOC ZINC001369548065 887584992 /nfs/dbraw/zinc/58/49/92/887584992.db2.gz BQYXMSIHGWCBFM-UHFFFAOYSA-N 1 2 274.321 -1.474 20 0 CAADLO CNC(=O)NC(=O)C[N@@H+](CCNC(C)=O)CCOC ZINC001369548065 887585003 /nfs/dbraw/zinc/58/50/03/887585003.db2.gz BQYXMSIHGWCBFM-UHFFFAOYSA-N 1 2 274.321 -1.474 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)CO[C@H]2CCOC2)C1 ZINC001369979922 887600040 /nfs/dbraw/zinc/60/00/40/887600040.db2.gz AXDPFYLZGNFRBI-QWRGUYRKSA-N 1 2 285.344 -1.272 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)CO[C@H]2CCOC2)C1 ZINC001369979922 887600055 /nfs/dbraw/zinc/60/00/55/887600055.db2.gz AXDPFYLZGNFRBI-QWRGUYRKSA-N 1 2 285.344 -1.272 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CO[C@H]2CCOC2)C1 ZINC001369979921 887601027 /nfs/dbraw/zinc/60/10/27/887601027.db2.gz AXDPFYLZGNFRBI-MNOVXSKESA-N 1 2 285.344 -1.272 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)CO[C@H]2CCOC2)C1 ZINC001369979921 887601036 /nfs/dbraw/zinc/60/10/36/887601036.db2.gz AXDPFYLZGNFRBI-MNOVXSKESA-N 1 2 285.344 -1.272 20 0 CAADLO COCCC(=O)NCCN1CC[NH+]([C@H](C)C(N)=O)CC1 ZINC001369868557 887592581 /nfs/dbraw/zinc/59/25/81/887592581.db2.gz MBABTJMCFKCHJN-LLVKDONJSA-N 1 2 286.376 -1.370 20 0 CAADLO CNC(=O)NCCC(=O)N[C@@H]1CCC[N@H+](CC(N)=O)C1 ZINC001369818443 887592602 /nfs/dbraw/zinc/59/26/02/887592602.db2.gz OAAMERTULZCMEM-SECBINFHSA-N 1 2 285.348 -1.629 20 0 CAADLO CNC(=O)NCCC(=O)N[C@@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001369818443 887592618 /nfs/dbraw/zinc/59/26/18/887592618.db2.gz OAAMERTULZCMEM-SECBINFHSA-N 1 2 285.348 -1.629 20 0 CAADLO CC(=O)NCC[N@@H+](C)CC(=O)N1CCC[C@@H](C(N)=O)C1 ZINC001371894986 887673708 /nfs/dbraw/zinc/67/37/08/887673708.db2.gz LGPWWOBCVNNFMO-LLVKDONJSA-N 1 2 284.360 -1.222 20 0 CAADLO CC(=O)NCC[N@H+](C)CC(=O)N1CCC[C@@H](C(N)=O)C1 ZINC001371894986 887673713 /nfs/dbraw/zinc/67/37/13/887673713.db2.gz LGPWWOBCVNNFMO-LLVKDONJSA-N 1 2 284.360 -1.222 20 0 CAADLO C[C@H](C(N)=O)[NH+]1CC(CNC(=O)C[C@@H]2CCNC2=O)C1 ZINC001373513872 887747423 /nfs/dbraw/zinc/74/74/23/887747423.db2.gz OMTLOKXICXPKJU-SCZZXKLOSA-N 1 2 282.344 -1.566 20 0 CAADLO COC[C@H](O)C[NH+]1CC(NC(=O)[C@@]2(F)CCOC2)C1 ZINC001373452751 887743416 /nfs/dbraw/zinc/74/34/16/887743416.db2.gz XMNOWTQWGVHSTJ-ZYHUDNBSSA-N 1 2 276.308 -1.077 20 0 CAADLO C[C@@H](O)C[N@@H+]1CC[C@@H]1CNC(=O)CCS(C)(=O)=O ZINC001375321433 887872278 /nfs/dbraw/zinc/87/22/78/887872278.db2.gz OHHWAQQTTAKUAP-NXEZZACHSA-N 1 2 278.374 -1.008 20 0 CAADLO C[C@@H](O)C[N@H+]1CC[C@@H]1CNC(=O)CCS(C)(=O)=O ZINC001375321433 887872292 /nfs/dbraw/zinc/87/22/92/887872292.db2.gz OHHWAQQTTAKUAP-NXEZZACHSA-N 1 2 278.374 -1.008 20 0 CAADLO C[C@H](CC(N)=O)C(=O)N[C@H]1CCC[N@H+](CC(N)=O)C1 ZINC001376062141 887898132 /nfs/dbraw/zinc/89/81/32/887898132.db2.gz UQJXBIUJEGROOZ-BDAKNGLRSA-N 1 2 270.333 -1.436 20 0 CAADLO C[C@H](CC(N)=O)C(=O)N[C@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001376062141 887898137 /nfs/dbraw/zinc/89/81/37/887898137.db2.gz UQJXBIUJEGROOZ-BDAKNGLRSA-N 1 2 270.333 -1.436 20 0 CAADLO COc1cc(C(=O)NCC2(O)C[NH+](C[C@H](C)O)C2)on1 ZINC001376163108 887912566 /nfs/dbraw/zinc/91/25/66/887912566.db2.gz FYMLZYWKIKNTAX-QMMMGPOBSA-N 1 2 285.300 -1.160 20 0 CAADLO C[C@@H](O)C[NH+]1CC(O)(CNC(=O)C[C@@H](C)NC(N)=O)C1 ZINC001376174678 887913729 /nfs/dbraw/zinc/91/37/29/887913729.db2.gz MEWHIOYLALJJCZ-RKDXNWHRSA-N 1 2 288.348 -2.023 20 0 CAADLO CC[NH+]1CC(O)(CNC(=O)[C@H]2CCCN(C(N)=O)C2)C1 ZINC001376212942 887915903 /nfs/dbraw/zinc/91/59/03/887915903.db2.gz WWUNCYBTGIGNJS-JTQLQIEISA-N 1 2 284.360 -1.040 20 0 CAADLO COCC(=O)NCC[N@H+](C)CC(=O)N1CCO[C@@H](C)C1 ZINC001377113685 887974998 /nfs/dbraw/zinc/97/49/98/887974998.db2.gz WZKLJDXJPKQXGV-NSHDSACASA-N 1 2 287.360 -1.072 20 0 CAADLO COCC(=O)NCC[N@@H+](C)CC(=O)N1CCO[C@@H](C)C1 ZINC001377113685 887975004 /nfs/dbraw/zinc/97/50/04/887975004.db2.gz WZKLJDXJPKQXGV-NSHDSACASA-N 1 2 287.360 -1.072 20 0 CAADLO CC[C@H](NC(C)=O)C(=O)NCC[N@H+](C)CC(=O)NC ZINC001377223370 887981738 /nfs/dbraw/zinc/98/17/38/887981738.db2.gz IQGYXBQAKCWWHA-JTQLQIEISA-N 1 2 272.349 -1.305 20 0 CAADLO CC[C@H](NC(C)=O)C(=O)NCC[N@@H+](C)CC(=O)NC ZINC001377223370 887981746 /nfs/dbraw/zinc/98/17/46/887981746.db2.gz IQGYXBQAKCWWHA-JTQLQIEISA-N 1 2 272.349 -1.305 20 0 CAADLO CCNC(=O)C[N@H+](C)CCNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001377208021 887983045 /nfs/dbraw/zinc/98/30/45/887983045.db2.gz XNXMLEXLXQESJD-SECBINFHSA-N 1 2 285.348 -1.806 20 0 CAADLO CCNC(=O)C[N@@H+](C)CCNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001377208021 887983049 /nfs/dbraw/zinc/98/30/49/887983049.db2.gz XNXMLEXLXQESJD-SECBINFHSA-N 1 2 285.348 -1.806 20 0 CAADLO CNC(=O)C[N@H+](C)CCNC(=O)[C@@H]1CCNC(=O)CC1 ZINC001377202380 887983058 /nfs/dbraw/zinc/98/30/58/887983058.db2.gz FKUZLQVXRBSQFL-JTQLQIEISA-N 1 2 284.360 -1.303 20 0 CAADLO CNC(=O)C[N@@H+](C)CCNC(=O)[C@@H]1CCNC(=O)CC1 ZINC001377202380 887983066 /nfs/dbraw/zinc/98/30/66/887983066.db2.gz FKUZLQVXRBSQFL-JTQLQIEISA-N 1 2 284.360 -1.303 20 0 CAADLO CN(C)C(=O)C[N@@H+](C)CCNC(=O)[C@@H]1CCCN1C(N)=O ZINC001377273686 887987404 /nfs/dbraw/zinc/98/74/04/887987404.db2.gz HCIUBFBJVBTVNP-JTQLQIEISA-N 1 2 299.375 -1.334 20 0 CAADLO O=C(C[C@@H]1CCCS1(=O)=O)NCC1C[NH+](CCO)C1 ZINC001377982752 888024361 /nfs/dbraw/zinc/02/43/61/888024361.db2.gz GKMZKQRRKKCIAV-NSHDSACASA-N 1 2 290.385 -1.006 20 0 CAADLO CC(=O)N[C@@H](C)C(=O)N(C)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001378137900 888038881 /nfs/dbraw/zinc/03/88/81/888038881.db2.gz LVVZXYZQRXYFAO-WCBMZHEXSA-N 1 2 270.333 -1.471 20 0 CAADLO CC(=O)N[C@@H](C)C(=O)N(C)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001378137900 888038884 /nfs/dbraw/zinc/03/88/84/888038884.db2.gz LVVZXYZQRXYFAO-WCBMZHEXSA-N 1 2 270.333 -1.471 20 0 CAADLO CNC(=O)C[N@H+](C)CCN(C)C(=O)CCn1cnnn1 ZINC001379115295 888081865 /nfs/dbraw/zinc/08/18/65/888081865.db2.gz UKXMPFBLQAQAKD-UHFFFAOYSA-N 1 2 283.336 -1.801 20 0 CAADLO CNC(=O)C[N@@H+](C)CCN(C)C(=O)CCn1cnnn1 ZINC001379115295 888081876 /nfs/dbraw/zinc/08/18/76/888081876.db2.gz UKXMPFBLQAQAKD-UHFFFAOYSA-N 1 2 283.336 -1.801 20 0 CAADLO CNC(=O)C[NH2+][C@@H](CO)CNC(=O)C1=NC(=O)N(C)C1 ZINC001379470000 888150553 /nfs/dbraw/zinc/15/05/53/888150553.db2.gz QSZIJOANOGIAAP-SSDOTTSWSA-N 1 2 285.304 -2.448 20 0 CAADLO CC(C)[C@@H](O)C(=O)NC[C@@H](CO)[NH2+]Cc1ncnn1C ZINC001379391995 888134603 /nfs/dbraw/zinc/13/46/03/888134603.db2.gz CFPLMOWGASDKKG-GXSJLCMTSA-N 1 2 285.348 -1.601 20 0 CAADLO CC(=O)N(C)C[C@H](O)C[N@H+](C)Cc1nc(=O)n(C)[nH]1 ZINC001379864750 888177939 /nfs/dbraw/zinc/17/79/39/888177939.db2.gz HGQJZSLKQUNNNJ-SECBINFHSA-N 1 2 271.321 -1.621 20 0 CAADLO CC(=O)N(C)C[C@H](O)C[N@@H+](C)Cc1nc(=O)n(C)[nH]1 ZINC001379864750 888177942 /nfs/dbraw/zinc/17/79/42/888177942.db2.gz HGQJZSLKQUNNNJ-SECBINFHSA-N 1 2 271.321 -1.621 20 0 CAADLO COCCC(=O)NC[C@H]1CC[N@@H+]1[C@@H](C)C(=O)NC(N)=O ZINC001379935815 888183314 /nfs/dbraw/zinc/18/33/14/888183314.db2.gz IFAIYONENVBHNJ-DTWKUNHWSA-N 1 2 286.332 -1.203 20 0 CAADLO COCCC(=O)NC[C@H]1CC[N@H+]1[C@@H](C)C(=O)NC(N)=O ZINC001379935815 888183320 /nfs/dbraw/zinc/18/33/20/888183320.db2.gz IFAIYONENVBHNJ-DTWKUNHWSA-N 1 2 286.332 -1.203 20 0 CAADLO CN1CCN(CC(=O)NC[C@H]2CC[N@@H+]2CCF)CC1=O ZINC001379971352 888186601 /nfs/dbraw/zinc/18/66/01/888186601.db2.gz OXDSJNMOIROYTK-LLVKDONJSA-N 1 2 286.351 -1.080 20 0 CAADLO CN1CCN(CC(=O)NC[C@H]2CC[N@H+]2CCF)CC1=O ZINC001379971352 888186608 /nfs/dbraw/zinc/18/66/08/888186608.db2.gz OXDSJNMOIROYTK-LLVKDONJSA-N 1 2 286.351 -1.080 20 0 CAADLO CO[C@H](C)C[NH+]1CC(O)(CNC(=O)CCNC(N)=O)C1 ZINC001380650606 888225190 /nfs/dbraw/zinc/22/51/90/888225190.db2.gz URNFWZICRUTHBU-SECBINFHSA-N 1 2 288.348 -1.757 20 0 CAADLO CC(=O)NCC(=O)NC[C@@H](CO)[NH2+]Cc1nnc(C)[nH]1 ZINC001382170489 888278295 /nfs/dbraw/zinc/27/82/95/888278295.db2.gz HCLHZQWHILKNIJ-VIFPVBQESA-N 1 2 284.320 -2.184 20 0 CAADLO CC(=O)NCC(=O)NC[C@H](CO)[NH2+]Cc1nnc(C)[nH]1 ZINC001382170488 888278830 /nfs/dbraw/zinc/27/88/30/888278830.db2.gz HCLHZQWHILKNIJ-SECBINFHSA-N 1 2 284.320 -2.184 20 0 CAADLO CC(=O)NCC(=O)NC[C@@H](CO)[NH2+]Cc1cscn1 ZINC001382170543 888280064 /nfs/dbraw/zinc/28/00/64/888280064.db2.gz HRPDTHFHGKKEDA-VIFPVBQESA-N 1 2 286.357 -1.154 20 0 CAADLO CC[C@H](OC)C(=O)NC[C@@H](CO)[NH2+]Cc1nnnn1C ZINC001382179440 888286807 /nfs/dbraw/zinc/28/68/07/888286807.db2.gz DIZOUQMNTOERNM-IUCAKERBSA-N 1 2 286.336 -1.798 20 0 CAADLO CNC(=O)NCC(=O)NC[C@H](CO)[NH2+]Cc1ccon1 ZINC001382207272 888301491 /nfs/dbraw/zinc/30/14/91/888301491.db2.gz KROKGFIUWJIWPH-SECBINFHSA-N 1 2 285.304 -1.830 20 0 CAADLO CNC(=O)C[N@H+](CCNC(=O)c1ncc[nH]1)CCOC ZINC001382535747 888366799 /nfs/dbraw/zinc/36/67/99/888366799.db2.gz ADNBWLFBIBBIEM-UHFFFAOYSA-N 1 2 283.332 -1.166 20 0 CAADLO CNC(=O)C[N@@H+](CCNC(=O)c1ncc[nH]1)CCOC ZINC001382535747 888366806 /nfs/dbraw/zinc/36/68/06/888366806.db2.gz ADNBWLFBIBBIEM-UHFFFAOYSA-N 1 2 283.332 -1.166 20 0 CAADLO COCC(=O)N(C)CC(=O)N[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001389460328 888548317 /nfs/dbraw/zinc/54/83/17/888548317.db2.gz UNCXJAOCJKBWME-SECBINFHSA-N 1 2 286.332 -2.233 20 0 CAADLO COCC(=O)N(C)CC(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001389460328 888548328 /nfs/dbraw/zinc/54/83/28/888548328.db2.gz UNCXJAOCJKBWME-SECBINFHSA-N 1 2 286.332 -2.233 20 0 CAADLO COCC(=O)NC[C@H]1CCCC[N@@H+]1CC(=O)NC(N)=O ZINC001390108507 888571049 /nfs/dbraw/zinc/57/10/49/888571049.db2.gz PRTUKKMNQPDDQE-SECBINFHSA-N 1 2 286.332 -1.202 20 0 CAADLO COCC(=O)NC[C@H]1CCCC[N@H+]1CC(=O)NC(N)=O ZINC001390108507 888571059 /nfs/dbraw/zinc/57/10/59/888571059.db2.gz PRTUKKMNQPDDQE-SECBINFHSA-N 1 2 286.332 -1.202 20 0 CAADLO CCNC(=O)C[N@H+](C)CCNC(=O)CN1CCOCC1 ZINC001390749243 888594669 /nfs/dbraw/zinc/59/46/69/888594669.db2.gz QJWCNCYGUOZLQG-UHFFFAOYSA-N 1 2 286.376 -1.497 20 0 CAADLO CCNC(=O)C[N@@H+](C)CCNC(=O)CN1CCOCC1 ZINC001390749243 888594678 /nfs/dbraw/zinc/59/46/78/888594678.db2.gz QJWCNCYGUOZLQG-UHFFFAOYSA-N 1 2 286.376 -1.497 20 0 CAADLO CCN(C)C(=O)C[N@H+](C)CCNC(=O)C1CN(C(C)=O)C1 ZINC001390753746 888594773 /nfs/dbraw/zinc/59/47/73/888594773.db2.gz LRKOTIKETXIUAP-UHFFFAOYSA-N 1 2 298.387 -1.009 20 0 CAADLO CCN(C)C(=O)C[N@@H+](C)CCNC(=O)C1CN(C(C)=O)C1 ZINC001390753746 888594779 /nfs/dbraw/zinc/59/47/79/888594779.db2.gz LRKOTIKETXIUAP-UHFFFAOYSA-N 1 2 298.387 -1.009 20 0 CAADLO CCCN1C[C@H](C(=O)NCC[N@H+](C)CC(N)=O)CC1=O ZINC001390822070 888600355 /nfs/dbraw/zinc/60/03/55/888600355.db2.gz GWKTWNZZSZBRLL-SNVBAGLBSA-N 1 2 284.360 -1.222 20 0 CAADLO CCCN1C[C@H](C(=O)NCC[N@@H+](C)CC(N)=O)CC1=O ZINC001390822070 888600360 /nfs/dbraw/zinc/60/03/60/888600360.db2.gz GWKTWNZZSZBRLL-SNVBAGLBSA-N 1 2 284.360 -1.222 20 0 CAADLO CCCNC(=O)C[N@@H+](C)CCNC(=O)[C@@H]1CCC(=O)N1 ZINC001390848106 888607768 /nfs/dbraw/zinc/60/77/68/888607768.db2.gz RPXWMSBIULTQMM-JTQLQIEISA-N 1 2 284.360 -1.161 20 0 CAADLO COCC(=O)N(C)CC[NH+]1CCN([C@H](C)C(N)=O)CC1 ZINC001391329073 888622755 /nfs/dbraw/zinc/62/27/55/888622755.db2.gz IXHSLRFESOAPSB-LLVKDONJSA-N 1 2 286.376 -1.417 20 0 CAADLO COCC(=O)N(C)CCN1CC[NH+]([C@H](C)C(N)=O)CC1 ZINC001391329073 888622766 /nfs/dbraw/zinc/62/27/66/888622766.db2.gz IXHSLRFESOAPSB-LLVKDONJSA-N 1 2 286.376 -1.417 20 0 CAADLO CCNC(=O)CCC(=O)NC1C[NH+](C[C@@H](O)COC)C1 ZINC001391422163 888628656 /nfs/dbraw/zinc/62/86/56/888628656.db2.gz UQIAEWOUJDERHL-LLVKDONJSA-N 1 2 287.360 -1.290 20 0 CAADLO CC[C@H](NC(C)=O)C(=O)N[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001391563080 888638685 /nfs/dbraw/zinc/63/86/85/888638685.db2.gz GVKPMAMRIDQDOS-UWVGGRQHSA-N 1 2 270.333 -1.423 20 0 CAADLO CC[C@H](NC(C)=O)C(=O)N[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001391563080 888638698 /nfs/dbraw/zinc/63/86/98/888638698.db2.gz GVKPMAMRIDQDOS-UWVGGRQHSA-N 1 2 270.333 -1.423 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+](C)C[C@@H](C)NC(=O)Cc1nnc[nH]1 ZINC001392727750 888736827 /nfs/dbraw/zinc/73/68/27/888736827.db2.gz UFZCTCPHBSLNCH-RKDXNWHRSA-N 1 2 282.348 -1.082 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+](C)C[C@@H](C)NC(=O)Cc1nnc[nH]1 ZINC001392727750 888736838 /nfs/dbraw/zinc/73/68/38/888736838.db2.gz UFZCTCPHBSLNCH-RKDXNWHRSA-N 1 2 282.348 -1.082 20 0 CAADLO CCC(=O)NCC(=O)NC[C@H]1CC[N@@H+]1[C@H](CC)C(N)=O ZINC001392825467 888741681 /nfs/dbraw/zinc/74/16/81/888741681.db2.gz SIHYTANKTPDUDS-NXEZZACHSA-N 1 2 284.360 -1.033 20 0 CAADLO CCC(=O)NCC(=O)NC[C@H]1CC[N@@H+]1[C@H]1CCNC1=O ZINC001392820984 888740949 /nfs/dbraw/zinc/74/09/49/888740949.db2.gz GTYLLFXGMOXZGD-ZJUUUORDSA-N 1 2 282.344 -1.408 20 0 CAADLO CCC(=O)NCC(=O)NC[C@H]1CC[N@H+]1[C@H]1CCNC1=O ZINC001392820984 888740965 /nfs/dbraw/zinc/74/09/65/888740965.db2.gz GTYLLFXGMOXZGD-ZJUUUORDSA-N 1 2 282.344 -1.408 20 0 CAADLO CC(=O)NCC(=O)NC[C@@H]1CC[N@H+]1[C@H](C)C(=O)N(C)C ZINC001392818279 888741162 /nfs/dbraw/zinc/74/11/62/888741162.db2.gz WBUUSLPDDZAFSQ-KOLCDFICSA-N 1 2 284.360 -1.210 20 0 CAADLO CC(=O)NCC(=O)NC[C@@H]1CC[N@@H+]1[C@H](C)C(=O)N(C)C ZINC001392818279 888741178 /nfs/dbraw/zinc/74/11/78/888741178.db2.gz WBUUSLPDDZAFSQ-KOLCDFICSA-N 1 2 284.360 -1.210 20 0 CAADLO C[C@H](CC(N)=O)C(=O)NCC1(O)C[NH+](C[C@H](C)O)C1 ZINC001393325876 888778105 /nfs/dbraw/zinc/77/81/05/888778105.db2.gz JAFSMTVONPCTHS-BDAKNGLRSA-N 1 2 273.333 -1.958 20 0 CAADLO C[C@@H](O)C[NH+]1CC(O)(CNC(=O)COCC(F)F)C1 ZINC001393328594 888779799 /nfs/dbraw/zinc/77/97/99/888779799.db2.gz ZUFBQZVNHKPXFP-MRVPVSSYSA-N 1 2 282.287 -1.188 20 0 CAADLO CCn1ncnc1C[NH2+][C@@H](CO)CNC(=O)[C@H](C)OC ZINC001394574222 888837793 /nfs/dbraw/zinc/83/77/93/888837793.db2.gz IJAPMXNKNIDWNY-VHSXEESVSA-N 1 2 285.348 -1.100 20 0 CAADLO CCn1ncnc1C[NH2+][C@H](CO)CNC(=O)[C@@H](C)OC ZINC001394574232 888839837 /nfs/dbraw/zinc/83/98/37/888839837.db2.gz IJAPMXNKNIDWNY-ZJUUUORDSA-N 1 2 285.348 -1.100 20 0 CAADLO Cn1nnnc1C[NH2+][C@@H](CO)CNC(=O)C(C)(C)C ZINC001394643005 888869458 /nfs/dbraw/zinc/86/94/58/888869458.db2.gz IOVXBJMFNGALPS-MRVPVSSYSA-N 1 2 270.337 -1.177 20 0 CAADLO CN(C[C@@H](O)C[NH2+]CC(N)=O)C(=O)Cc1ncn[nH]1 ZINC001394759411 888894092 /nfs/dbraw/zinc/89/40/92/888894092.db2.gz TTXDDEHVUPCVJK-ZETCQYMHSA-N 1 2 270.293 -2.759 20 0 CAADLO CC(=O)N[C@@H]1CC[N@@H+](CC(=O)N[C@@H](C)C(=O)N(C)C)C1 ZINC001398265270 888991548 /nfs/dbraw/zinc/99/15/48/888991548.db2.gz CTDUAMAEHUAOHX-GXSJLCMTSA-N 1 2 284.360 -1.210 20 0 CAADLO CC(=O)N[C@@H]1CC[N@H+](CC(=O)N[C@@H](C)C(=O)N(C)C)C1 ZINC001398265270 888991561 /nfs/dbraw/zinc/99/15/61/888991561.db2.gz CTDUAMAEHUAOHX-GXSJLCMTSA-N 1 2 284.360 -1.210 20 0 CAADLO CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H](C)NC(N)=O)C1 ZINC001398288897 888991783 /nfs/dbraw/zinc/99/17/83/888991783.db2.gz FQTMWZKAFFNTDE-IUCAKERBSA-N 1 2 285.348 -1.630 20 0 CAADLO CCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@H](C)NC(N)=O)C1 ZINC001398288897 888991784 /nfs/dbraw/zinc/99/17/84/888991784.db2.gz FQTMWZKAFFNTDE-IUCAKERBSA-N 1 2 285.348 -1.630 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@H](COC)OC)C1 ZINC001398322924 888995001 /nfs/dbraw/zinc/99/50/01/888995001.db2.gz BBVYSGIITDBSTE-ZJUUUORDSA-N 1 2 273.333 -1.416 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@H](COC)OC)C1 ZINC001398322924 888995012 /nfs/dbraw/zinc/99/50/12/888995012.db2.gz BBVYSGIITDBSTE-ZJUUUORDSA-N 1 2 273.333 -1.416 20 0 CAADLO C[N@@H+](CCNC(=O)CN1CCCS1(=O)=O)CC(N)=O ZINC001399478286 889049728 /nfs/dbraw/zinc/04/97/28/889049728.db2.gz DMTLDSJBUOPBHZ-UHFFFAOYSA-N 1 2 292.361 -2.445 20 0 CAADLO CNC(=O)C[N@H+](C)CCNC(=O)C(C)(C)NC(C)=O ZINC001399602498 889051602 /nfs/dbraw/zinc/05/16/02/889051602.db2.gz UQJNNOSMTVYDMF-UHFFFAOYSA-N 1 2 272.349 -1.305 20 0 CAADLO CNC(=O)C[N@@H+](C)CCNC(=O)C(C)(C)NC(C)=O ZINC001399602498 889051612 /nfs/dbraw/zinc/05/16/12/889051612.db2.gz UQJNNOSMTVYDMF-UHFFFAOYSA-N 1 2 272.349 -1.305 20 0 CAADLO CNC(=O)C[N@H+](C)CCNC(=O)CCN1CCCC1=O ZINC001399655515 889059939 /nfs/dbraw/zinc/05/99/39/889059939.db2.gz HKHULFOZNWVZBZ-UHFFFAOYSA-N 1 2 284.360 -1.207 20 0 CAADLO CNC(=O)C[N@@H+](C)CCNC(=O)CCN1CCCC1=O ZINC001399655515 889059947 /nfs/dbraw/zinc/05/99/47/889059947.db2.gz HKHULFOZNWVZBZ-UHFFFAOYSA-N 1 2 284.360 -1.207 20 0 CAADLO COC(=O)NCC(=O)N[C@H]1CCC[N@H+](CC(N)=O)C1 ZINC001400292847 889099180 /nfs/dbraw/zinc/09/91/80/889099180.db2.gz KXFGSROTURJNCI-QMMMGPOBSA-N 1 2 272.305 -1.592 20 0 CAADLO COC(=O)NCC(=O)N[C@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001400292847 889099194 /nfs/dbraw/zinc/09/91/94/889099194.db2.gz KXFGSROTURJNCI-QMMMGPOBSA-N 1 2 272.305 -1.592 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(NC(=O)CCc2nnc[nH]2)C1 ZINC001400347622 889101886 /nfs/dbraw/zinc/10/18/86/889101886.db2.gz VMTNRNPYXANZRH-JTQLQIEISA-N 1 2 283.332 -1.455 20 0 CAADLO CCC(=O)N[C@H](C)C(=O)NC1C[NH+](C[C@H](O)COC)C1 ZINC001400338979 889102851 /nfs/dbraw/zinc/10/28/51/889102851.db2.gz CYBJYSVEUFMFHU-KOLCDFICSA-N 1 2 287.360 -1.291 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(NC(=O)[C@H]2CCNC(=O)C2)C1 ZINC001400338943 889102863 /nfs/dbraw/zinc/10/28/63/889102863.db2.gz XXWGBWIQJREYGL-ONGXEEELSA-N 1 2 285.344 -1.680 20 0 CAADLO COC[C@@H](OC)C(=O)NCC1C[NH+]([C@H](C)C(N)=O)C1 ZINC001400533514 889110079 /nfs/dbraw/zinc/11/00/79/889110079.db2.gz PTTQSQLWFZADSX-PSASIEDQSA-N 1 2 273.333 -1.430 20 0 CAADLO COCC[N@H+]1CCO[C@@H](CNC(=O)Cn2ncnn2)C1 ZINC001401165498 889128085 /nfs/dbraw/zinc/12/80/85/889128085.db2.gz RAAKGZPZNIBAKS-JTQLQIEISA-N 1 2 284.320 -1.864 20 0 CAADLO CNC(=O)NCC(=O)N[C@H](C)C[NH2+]Cc1nnc(C)o1 ZINC001401626008 889170136 /nfs/dbraw/zinc/17/01/36/889170136.db2.gz DQGGLQQYUYYSRO-SSDOTTSWSA-N 1 2 284.320 -1.099 20 0 CAADLO Cn1cnn(CC(=O)NC[C@H]2CC[N@@H+]2CCF)c1=O ZINC001401895495 889190578 /nfs/dbraw/zinc/19/05/78/889190578.db2.gz WHHLNYCORKYEEK-SECBINFHSA-N 1 2 271.296 -1.258 20 0 CAADLO Cn1cnn(CC(=O)NC[C@H]2CC[N@H+]2CCF)c1=O ZINC001401895495 889190586 /nfs/dbraw/zinc/19/05/86/889190586.db2.gz WHHLNYCORKYEEK-SECBINFHSA-N 1 2 271.296 -1.258 20 0 CAADLO CNC(=O)NC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@H](C)OC)C1 ZINC001402178919 889203128 /nfs/dbraw/zinc/20/31/28/889203128.db2.gz QWAYGJGJXYSWKQ-DTWKUNHWSA-N 1 2 286.332 -1.333 20 0 CAADLO CNC(=O)NC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@H](C)OC)C1 ZINC001402178919 889203142 /nfs/dbraw/zinc/20/31/42/889203142.db2.gz QWAYGJGJXYSWKQ-DTWKUNHWSA-N 1 2 286.332 -1.333 20 0 CAADLO CCC[C@@H](C(=O)NC[C@@H]1CC[N@@H+]1CCO)S(N)(=O)=O ZINC001401901006 889194180 /nfs/dbraw/zinc/19/41/80/889194180.db2.gz SEEYASRBEVDQIC-UWVGGRQHSA-N 1 2 293.389 -1.374 20 0 CAADLO CCC[C@@H](C(=O)NC[C@@H]1CC[N@H+]1CCO)S(N)(=O)=O ZINC001401901006 889194187 /nfs/dbraw/zinc/19/41/87/889194187.db2.gz SEEYASRBEVDQIC-UWVGGRQHSA-N 1 2 293.389 -1.374 20 0 CAADLO COC[C@@H](C)OC[C@H](O)C[NH+]1CC(O)(CNC(C)=O)C1 ZINC001402284798 889215427 /nfs/dbraw/zinc/21/54/27/889215427.db2.gz LCBKZNZHWFLOSZ-ZYHUDNBSSA-N 1 2 290.360 -1.418 20 0 CAADLO CC(C)[C@@H](O)C(=O)N[C@@H]1CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001402163890 889207065 /nfs/dbraw/zinc/20/70/65/889207065.db2.gz GIIVITDXXLVIML-PSASIEDQSA-N 1 2 286.332 -1.611 20 0 CAADLO CC(C)[C@@H](O)C(=O)N[C@@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001402163890 889207077 /nfs/dbraw/zinc/20/70/77/889207077.db2.gz GIIVITDXXLVIML-PSASIEDQSA-N 1 2 286.332 -1.611 20 0 CAADLO C[C@]1(NC(=O)CS(C)(=O)=O)CC[N@H+](CCCO)C1 ZINC001402138746 889207152 /nfs/dbraw/zinc/20/71/52/889207152.db2.gz OARDBEFYONNTHA-NSHDSACASA-N 1 2 278.374 -1.006 20 0 CAADLO C[C@]1(NC(=O)CS(C)(=O)=O)CC[N@@H+](CCCO)C1 ZINC001402138746 889207168 /nfs/dbraw/zinc/20/71/68/889207168.db2.gz OARDBEFYONNTHA-NSHDSACASA-N 1 2 278.374 -1.006 20 0 CAADLO CCC(=O)N[C@H](C)C(=O)N[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001402165016 889207202 /nfs/dbraw/zinc/20/72/02/889207202.db2.gz MOKAMVZVRZOXIZ-BDAKNGLRSA-N 1 2 270.333 -1.423 20 0 CAADLO CCC(=O)N[C@H](C)C(=O)N[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001402165016 889207220 /nfs/dbraw/zinc/20/72/20/889207220.db2.gz MOKAMVZVRZOXIZ-BDAKNGLRSA-N 1 2 270.333 -1.423 20 0 CAADLO CNC(=O)NCC(=O)NC1(CCO)C[NH+](C[C@@H](C)O)C1 ZINC001403217100 889295312 /nfs/dbraw/zinc/29/53/12/889295312.db2.gz WELGAAGFEHHIGL-SECBINFHSA-N 1 2 288.348 -2.151 20 0 CAADLO CC(=O)NCC(=O)NC[C@@H](CO)[NH2+]Cc1cc(C)on1 ZINC001403634813 889322822 /nfs/dbraw/zinc/32/28/22/889322822.db2.gz GBMWMEGWEMBHNA-NSHDSACASA-N 1 2 284.316 -1.314 20 0 CAADLO CCO[C@@H](C)C(=O)NC[C@H](CO)[NH2+]Cc1nnnn1C ZINC001403652488 889331733 /nfs/dbraw/zinc/33/17/33/889331733.db2.gz NBYIBLSCMIPNTI-DTWKUNHWSA-N 1 2 286.336 -1.798 20 0 CAADLO CC(=O)NC(C)(C)C(=O)NC[C@H]1CCC[N@@H+]1CC(N)=O ZINC001404007495 889398215 /nfs/dbraw/zinc/39/82/15/889398215.db2.gz LRUUZWNWTVIOSV-SNVBAGLBSA-N 1 2 284.360 -1.033 20 0 CAADLO CC(=O)NC(C)(C)C(=O)NC[C@H]1CCC[N@H+]1CC(N)=O ZINC001404007495 889398230 /nfs/dbraw/zinc/39/82/30/889398230.db2.gz LRUUZWNWTVIOSV-SNVBAGLBSA-N 1 2 284.360 -1.033 20 0 CAADLO C[C@H](C[NH2+]Cc1cnsn1)NC(=O)Cn1ncnn1 ZINC001406361571 889515140 /nfs/dbraw/zinc/51/51/40/889515140.db2.gz QAEHMRBCEYDAPG-SSDOTTSWSA-N 1 2 282.333 -1.181 20 0 CAADLO COC(=O)NCC(=O)NC[C@@H]1CC[N@@H+]1CC(=O)N(C)C ZINC001406823615 889538798 /nfs/dbraw/zinc/53/87/98/889538798.db2.gz TXXOXADUXWJVMM-VIFPVBQESA-N 1 2 286.332 -1.379 20 0 CAADLO COC(=O)NCC(=O)NC[C@@H]1CC[N@H+]1CC(=O)N(C)C ZINC001406823615 889538806 /nfs/dbraw/zinc/53/88/06/889538806.db2.gz TXXOXADUXWJVMM-VIFPVBQESA-N 1 2 286.332 -1.379 20 0 CAADLO CC[NH+]1CC2(C1)CN(C(=O)[C@H](C)NC(N)=O)CCO2 ZINC001407954782 889593751 /nfs/dbraw/zinc/59/37/51/889593751.db2.gz LDQDODPZZHIGJL-VIFPVBQESA-N 1 2 270.333 -1.024 20 0 CAADLO O=C(Cn1ncnn1)NC1(CCO)C[NH+](CCO)C1 ZINC001409696241 889641249 /nfs/dbraw/zinc/64/12/49/889641249.db2.gz FCDIIOFWLRNJET-UHFFFAOYSA-N 1 2 270.293 -2.782 20 0 CAADLO C[C@H](NC(=O)CC1CS(=O)(=O)C1)C1C[NH+](CCO)C1 ZINC001409895204 889649986 /nfs/dbraw/zinc/64/99/86/889649986.db2.gz BCVCNMVFUUEOCJ-VIFPVBQESA-N 1 2 290.385 -1.150 20 0 CAADLO COCCC(=O)NC[C@H](CO)[NH2+][C@@H](C)c1nnnn1C ZINC001410540225 889680062 /nfs/dbraw/zinc/68/00/62/889680062.db2.gz ZJYHOLMKWNJMRT-DTWKUNHWSA-N 1 2 286.336 -1.626 20 0 CAADLO Cn1nnnc1C[NH2+][C@H](CO)CNC(=O)C1CCCC1 ZINC001410564860 889680124 /nfs/dbraw/zinc/68/01/24/889680124.db2.gz VTTMTCXAPPEPST-JTQLQIEISA-N 1 2 282.348 -1.033 20 0 CAADLO Cn1nnnc1C[NH2+][C@@H](CO)CNC(=O)C1CCCC1 ZINC001410564870 889681573 /nfs/dbraw/zinc/68/15/73/889681573.db2.gz VTTMTCXAPPEPST-SNVBAGLBSA-N 1 2 282.348 -1.033 20 0 CAADLO CC(=O)NCC(=O)NCC(=O)NCc1[nH]c(C)c(C)[nH+]1 ZINC001411884412 889769539 /nfs/dbraw/zinc/76/95/39/889769539.db2.gz BYUWSXNZGCNFJQ-UHFFFAOYSA-N 1 2 281.316 -1.105 20 0 CAADLO O=C(CC1CS(=O)(=O)C1)NCC[N@@H+]1CC[C@H](O)C1 ZINC001412413052 889828986 /nfs/dbraw/zinc/82/89/86/889828986.db2.gz VFMLKHSQJRVMRK-JTQLQIEISA-N 1 2 276.358 -1.396 20 0 CAADLO C[C@@H]1C[N@@H+](CCNC(=O)[C@@H](CO)NC(N)=O)CCO1 ZINC001412488556 889838075 /nfs/dbraw/zinc/83/80/75/889838075.db2.gz JJLGOINTCPIBNC-RKDXNWHRSA-N 1 2 274.321 -2.148 20 0 CAADLO C[C@@H]1C[N@H+](CCNC(=O)[C@H](CO)NC(N)=O)CCO1 ZINC001412488503 889838318 /nfs/dbraw/zinc/83/83/18/889838318.db2.gz JJLGOINTCPIBNC-BDAKNGLRSA-N 1 2 274.321 -2.148 20 0 CAADLO C[C@@H]1C[N@@H+](CCNC(=O)[C@H](CO)NC(N)=O)CCO1 ZINC001412488503 889838325 /nfs/dbraw/zinc/83/83/25/889838325.db2.gz JJLGOINTCPIBNC-BDAKNGLRSA-N 1 2 274.321 -2.148 20 0 CAADLO COC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)CS(C)(=O)=O ZINC001412688743 889866157 /nfs/dbraw/zinc/86/61/57/889866157.db2.gz SJIQJDLJFJHZBB-MRVPVSSYSA-N 1 2 289.313 -1.345 20 0 CAADLO COC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)CS(C)(=O)=O ZINC001412688743 889866163 /nfs/dbraw/zinc/86/61/63/889866163.db2.gz SJIQJDLJFJHZBB-MRVPVSSYSA-N 1 2 289.313 -1.345 20 0 CAADLO CCOCC(=O)NC[C@H](CO)NC(=O)Cc1c[nH]c[nH+]1 ZINC001412745702 889877964 /nfs/dbraw/zinc/87/79/64/889877964.db2.gz BKHKOZDCIRRVJQ-SNVBAGLBSA-N 1 2 284.316 -1.418 20 0 CAADLO C[C@@H]1CC[N@H+](CC(=O)NC[C@]2(O)CCS(=O)(=O)C2)C1 ZINC001412962045 889917251 /nfs/dbraw/zinc/91/72/51/889917251.db2.gz AQIPQLUHUKVAGR-ZYHUDNBSSA-N 1 2 290.385 -1.006 20 0 CAADLO C[C@@H]1CC[N@@H+](CC(=O)NC[C@]2(O)CCS(=O)(=O)C2)C1 ZINC001412962045 889917254 /nfs/dbraw/zinc/91/72/54/889917254.db2.gz AQIPQLUHUKVAGR-ZYHUDNBSSA-N 1 2 290.385 -1.006 20 0 CAADLO COC(=O)Cn1cc(C[N@@H+]2C[C@H](O)C[C@@]2(C)CO)nn1 ZINC001413238069 889950550 /nfs/dbraw/zinc/95/05/50/889950550.db2.gz QRATZJDKAVKMRU-PWSUYJOCSA-N 1 2 284.316 -1.231 20 0 CAADLO COC(=O)Cn1cc(C[N@H+]2C[C@H](O)C[C@@]2(C)CO)nn1 ZINC001413238069 889950564 /nfs/dbraw/zinc/95/05/64/889950564.db2.gz QRATZJDKAVKMRU-PWSUYJOCSA-N 1 2 284.316 -1.231 20 0 CAADLO COCC[C@H](NS(=O)(=O)N1CC[NH+](C)CC1)C(N)=O ZINC001413323543 889964016 /nfs/dbraw/zinc/96/40/16/889964016.db2.gz RIZQMVLSXGZISX-VIFPVBQESA-N 1 2 294.377 -2.041 20 0 CAADLO O=C(NCC[N@H+]1CC[C@H](O)C1)[C@H]1CCS(=O)(=O)C1 ZINC001413377157 889975416 /nfs/dbraw/zinc/97/54/16/889975416.db2.gz OJQURZJDOQLFIL-UWVGGRQHSA-N 1 2 276.358 -1.396 20 0 CAADLO O=C(NCC[N@@H+]1CC[C@H](O)C1)[C@H]1CCS(=O)(=O)C1 ZINC001413377157 889975434 /nfs/dbraw/zinc/97/54/34/889975434.db2.gz OJQURZJDOQLFIL-UWVGGRQHSA-N 1 2 276.358 -1.396 20 0 CAADLO CCCNC(=O)C[NH2+]C1(C(N)=O)CCS(=O)(=O)CC1 ZINC001414025604 890042467 /nfs/dbraw/zinc/04/24/67/890042467.db2.gz MLXSBJRJRADJFD-UHFFFAOYSA-N 1 2 291.373 -1.465 20 0 CAADLO CS(=O)(=O)NCC[N@@H+]1CCN2CCOC[C@@]2(CO)C1 ZINC001414030656 890043188 /nfs/dbraw/zinc/04/31/88/890043188.db2.gz CNZHDQLDBQXOGJ-NSHDSACASA-N 1 2 293.389 -2.086 20 0 CAADLO CS(=O)(=O)NCC[N@H+]1CCN2CCOC[C@@]2(CO)C1 ZINC001414030656 890043207 /nfs/dbraw/zinc/04/32/07/890043207.db2.gz CNZHDQLDBQXOGJ-NSHDSACASA-N 1 2 293.389 -2.086 20 0 CAADLO Cn1c[nH+]c(CCNS(=O)(=O)CCS(C)(=O)=O)c1 ZINC001414281131 890052787 /nfs/dbraw/zinc/05/27/87/890052787.db2.gz OORNYBMQGMADMD-UHFFFAOYSA-N 1 2 295.386 -1.073 20 0 CAADLO CC(=O)NCCN(C)S(=O)(=O)N1CC[NH+](C)CC1 ZINC001414293291 890054651 /nfs/dbraw/zinc/05/46/51/890054651.db2.gz MDBXBTQJTSOUOM-UHFFFAOYSA-N 1 2 278.378 -1.454 20 0 CAADLO CCCN(CC(N)=O)S(=O)(=O)N1CC[NH+](C)CC1 ZINC001414269498 890055718 /nfs/dbraw/zinc/05/57/18/890055718.db2.gz KBTXORPGCPHSRD-UHFFFAOYSA-N 1 2 278.378 -1.324 20 0 CAADLO O=C(Cc1c[nH]c[nH+]1)NC[C@H](O)CNC(=O)C(F)F ZINC001416709230 890119386 /nfs/dbraw/zinc/11/93/86/890119386.db2.gz ISZJSDSQVJJXRX-ZETCQYMHSA-N 1 2 276.243 -1.189 20 0 CAADLO CC(=O)N[C@H](C)C(=O)NC[C@@H]1CCCC[N@@H+]1CC(N)=O ZINC001418153705 890193678 /nfs/dbraw/zinc/19/36/78/890193678.db2.gz SDQPTQSMZVSJMY-KOLCDFICSA-N 1 2 284.360 -1.033 20 0 CAADLO CC(=O)N[C@H](C)C(=O)NC[C@@H]1CCCC[N@H+]1CC(N)=O ZINC001418153705 890193686 /nfs/dbraw/zinc/19/36/86/890193686.db2.gz SDQPTQSMZVSJMY-KOLCDFICSA-N 1 2 284.360 -1.033 20 0 CAADLO COCc1nocc1C(=O)NCC[N@@H+](C)CC(N)=O ZINC001418511657 890232274 /nfs/dbraw/zinc/23/22/74/890232274.db2.gz UYHZFCDIGYHVSF-UHFFFAOYSA-N 1 2 270.289 -1.032 20 0 CAADLO CNC(=O)C[N@H+](C)CCNC(=O)c1cc(C(N)=O)c[nH]1 ZINC001418514171 890232389 /nfs/dbraw/zinc/23/23/89/890232389.db2.gz PQFWWKYBBYTJIY-UHFFFAOYSA-N 1 2 281.316 -1.479 20 0 CAADLO CNC(=O)C[N@@H+](C)CCNC(=O)c1cc(C(N)=O)c[nH]1 ZINC001418514171 890232402 /nfs/dbraw/zinc/23/24/02/890232402.db2.gz PQFWWKYBBYTJIY-UHFFFAOYSA-N 1 2 281.316 -1.479 20 0 CAADLO Cn1c[nH+]cc1CNC(=O)c1c[nH]nc1S(N)(=O)=O ZINC001418961702 890274543 /nfs/dbraw/zinc/27/45/43/890274543.db2.gz BEIQHUIRFWPOPX-UHFFFAOYSA-N 1 2 284.301 -1.279 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(NC(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC001418989450 890282159 /nfs/dbraw/zinc/28/21/59/890282159.db2.gz DGMSEFPJOQLQKZ-UWVGGRQHSA-N 1 2 286.332 -2.182 20 0 CAADLO CNC(=O)C[N@H+]1CCC[C@@H](NC(=O)[C@H](C)NC(C)=O)C1 ZINC001419088127 890301640 /nfs/dbraw/zinc/30/16/40/890301640.db2.gz KZNWOSHISNMFRS-GXSJLCMTSA-N 1 2 284.360 -1.162 20 0 CAADLO NC(=O)NC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCO2)C1 ZINC001419145068 890302315 /nfs/dbraw/zinc/30/23/15/890302315.db2.gz XMSPWVIWPRILOJ-IUCAKERBSA-N 1 2 284.316 -1.449 20 0 CAADLO NC(=O)NC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCO2)C1 ZINC001419145068 890302326 /nfs/dbraw/zinc/30/23/26/890302326.db2.gz XMSPWVIWPRILOJ-IUCAKERBSA-N 1 2 284.316 -1.449 20 0 CAADLO COC[C@@H](C)C(=O)N[C@@H]1CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001419147716 890306624 /nfs/dbraw/zinc/30/66/24/890306624.db2.gz PQYDXSNBBKWZEK-RKDXNWHRSA-N 1 2 286.332 -1.346 20 0 CAADLO COC[C@@H](C)C(=O)N[C@@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001419147716 890306643 /nfs/dbraw/zinc/30/66/43/890306643.db2.gz PQYDXSNBBKWZEK-RKDXNWHRSA-N 1 2 286.332 -1.346 20 0 CAADLO COc1c(C(=O)N(C)CC[N@H+](C)CC(N)=O)cnn1C ZINC001420052654 890372095 /nfs/dbraw/zinc/37/20/95/890372095.db2.gz MDTFZSGIVYFIID-UHFFFAOYSA-N 1 2 283.332 -1.082 20 0 CAADLO COc1c(C(=O)N(C)CC[N@@H+](C)CC(N)=O)cnn1C ZINC001420052654 890372113 /nfs/dbraw/zinc/37/21/13/890372113.db2.gz MDTFZSGIVYFIID-UHFFFAOYSA-N 1 2 283.332 -1.082 20 0 CAADLO C[C@H](C(=O)NCC[N@@H+](C)CC(=O)N(C)C)n1cncn1 ZINC001420194471 890410542 /nfs/dbraw/zinc/41/05/42/890410542.db2.gz QZXPPRFQEHEPGZ-SNVBAGLBSA-N 1 2 282.348 -1.025 20 0 CAADLO C[C@H](C[NH+]1CCOCC1)NC(=O)Cn1cnc(N)n1 ZINC000049503601 883983667 /nfs/dbraw/zinc/98/36/67/883983667.db2.gz UFBRLXRQRMYTNE-SECBINFHSA-N 1 2 268.321 -1.303 20 0 CAADLO NC(=O)C(=O)N[C@H]1C[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000974385784 884004041 /nfs/dbraw/zinc/00/40/41/884004041.db2.gz CYDCFBBBUMNZMB-KNVOCYPGSA-N 1 2 265.273 -1.799 20 0 CAADLO C[C@@H]1[C@@H]([NH2+]Cc2nnn(C)n2)CCN1C(=O)c1nc[nH]n1 ZINC000987192083 884007580 /nfs/dbraw/zinc/00/75/80/884007580.db2.gz YNAXQDQHLMXQOA-SFYZADRCSA-N 1 2 291.319 -1.279 20 0 CAADLO Cn1nnc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3COC(=O)N3)C2)n1 ZINC001022033561 884012526 /nfs/dbraw/zinc/01/25/26/884012526.db2.gz CSLFZZSQRJLMMZ-RNJXMRFFSA-N 1 2 295.303 -1.945 20 0 CAADLO NC(=O)C(=O)N1C[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)[C@@H]2C1 ZINC001022035995 884013426 /nfs/dbraw/zinc/01/34/26/884013426.db2.gz HIVBHVAEZYUBKL-VHSXEESVSA-N 1 2 291.311 -1.572 20 0 CAADLO Cn1cnc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3nnn(C)n3)C2)n1 ZINC001022043558 884014765 /nfs/dbraw/zinc/01/47/65/884014765.db2.gz IIKDUZZGVVWRBJ-OCAPTIKFSA-N 1 2 291.319 -1.611 20 0 CAADLO Cn1cc(C(=O)NC2C[NH+](CCCO)C2)n(C)c1=O ZINC001031447416 884015645 /nfs/dbraw/zinc/01/56/45/884015645.db2.gz FJDUFWFBODCMEQ-UHFFFAOYSA-N 1 2 268.317 -1.480 20 0 CAADLO CC[NH+]1CC(NC(=O)c2c[nH]nc2S(N)(=O)=O)C1 ZINC001030934875 884015770 /nfs/dbraw/zinc/01/57/70/884015770.db2.gz OXQKOMOXFINQKF-UHFFFAOYSA-N 1 2 273.318 -1.509 20 0 CAADLO C[C@@H](O)C[NH+]1CC(NC(=O)[C@@H]2CCCN(C(N)=O)C2)C1 ZINC001030634566 884015970 /nfs/dbraw/zinc/01/59/70/884015970.db2.gz NOZSVYDFOQCJLN-NXEZZACHSA-N 1 2 284.360 -1.042 20 0 CAADLO C[C@H](O)C[NH+]1CC(NC(=O)[C@H]2CCCN(C(N)=O)C2)C1 ZINC001030634567 884016307 /nfs/dbraw/zinc/01/63/07/884016307.db2.gz NOZSVYDFOQCJLN-UWVGGRQHSA-N 1 2 284.360 -1.042 20 0 CAADLO NS(=O)(=O)c1n[nH]cc1C(=O)NC1C[NH+](CC2CC2)C1 ZINC001030934854 884016406 /nfs/dbraw/zinc/01/64/06/884016406.db2.gz NZXURQWOQDOGRY-UHFFFAOYSA-N 1 2 299.356 -1.119 20 0 CAADLO O=C(NC1C[NH+](CCO)C1)[C@@H]1CCCCC(=O)N1 ZINC001030936759 884016811 /nfs/dbraw/zinc/01/68/11/884016811.db2.gz FYHDTZSZQQVOLH-JTQLQIEISA-N 1 2 255.318 -1.162 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCC(=O)N2)C1 ZINC001032827303 884016660 /nfs/dbraw/zinc/01/66/60/884016660.db2.gz IHBWBBXJFVPGQP-LPEHRKFASA-N 1 2 282.344 -1.281 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)[C@H]2CCCC(=O)N2)C1 ZINC001032827303 884016676 /nfs/dbraw/zinc/01/66/76/884016676.db2.gz IHBWBBXJFVPGQP-LPEHRKFASA-N 1 2 282.344 -1.281 20 0 CAADLO Cc1nc(NC[C@@H]2CN(C(=O)C(N)=O)CCO2)cc[nH+]1 ZINC001066668889 884022917 /nfs/dbraw/zinc/02/29/17/884022917.db2.gz NQIJDYUANXCXSW-SECBINFHSA-N 1 2 279.300 -1.090 20 0 CAADLO Cc1nc(NC[C@H]2CN(C(=O)C(N)=O)CCO2)cc[nH+]1 ZINC001066668890 884023319 /nfs/dbraw/zinc/02/33/19/884023319.db2.gz NQIJDYUANXCXSW-VIFPVBQESA-N 1 2 279.300 -1.090 20 0 CAADLO CCN1C[C@H](C(=O)N[C@@H]2C[N@H+](CCF)C[C@H]2O)CC1=O ZINC001077086279 884027272 /nfs/dbraw/zinc/02/72/72/884027272.db2.gz RJLJAXNMRARMHK-GMTAPVOTSA-N 1 2 287.335 -1.014 20 0 CAADLO CCN1C[C@H](C(=O)N[C@@H]2C[N@@H+](CCF)C[C@H]2O)CC1=O ZINC001077086279 884027292 /nfs/dbraw/zinc/02/72/92/884027292.db2.gz RJLJAXNMRARMHK-GMTAPVOTSA-N 1 2 287.335 -1.014 20 0 CAADLO CC(=O)N1CC(C(=O)N(C)C[C@@H]2CC[N@H+]2[C@@H](C)C(N)=O)C1 ZINC001085567259 884032137 /nfs/dbraw/zinc/03/21/37/884032137.db2.gz DGGVFHGEYQDASA-CABZTGNLSA-N 1 2 296.371 -1.129 20 0 CAADLO CC(=O)N1CC(C(=O)N(C)C[C@@H]2CC[N@@H+]2[C@@H](C)C(N)=O)C1 ZINC001085567259 884032154 /nfs/dbraw/zinc/03/21/54/884032154.db2.gz DGGVFHGEYQDASA-CABZTGNLSA-N 1 2 296.371 -1.129 20 0 CAADLO CN(C)C(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1COC(=O)N1 ZINC001085575859 884032288 /nfs/dbraw/zinc/03/22/88/884032288.db2.gz GFOXCOHTZAJVIH-ZJUUUORDSA-N 1 2 298.343 -1.284 20 0 CAADLO CN(C)C(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1COC(=O)N1 ZINC001085575859 884032306 /nfs/dbraw/zinc/03/23/06/884032306.db2.gz GFOXCOHTZAJVIH-ZJUUUORDSA-N 1 2 298.343 -1.284 20 0 CAADLO CN(C)C(=O)C[N@H+]1C[C@@H](NC(=O)[C@H]2CCNC2=O)[C@@H](O)C1 ZINC001083698627 884032892 /nfs/dbraw/zinc/03/28/92/884032892.db2.gz PNRCERUNSRSUFD-AEJSXWLSSA-N 1 2 298.343 -2.628 20 0 CAADLO CN(C)C(=O)C[N@@H+]1C[C@@H](NC(=O)[C@H]2CCNC2=O)[C@@H](O)C1 ZINC001083698627 884032907 /nfs/dbraw/zinc/03/29/07/884032907.db2.gz PNRCERUNSRSUFD-AEJSXWLSSA-N 1 2 298.343 -2.628 20 0 CAADLO CN(C)C(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1COC(=O)N1 ZINC001085575857 884033313 /nfs/dbraw/zinc/03/33/13/884033313.db2.gz GFOXCOHTZAJVIH-UWVGGRQHSA-N 1 2 298.343 -1.284 20 0 CAADLO CN(C)C(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1COC(=O)N1 ZINC001085575857 884033323 /nfs/dbraw/zinc/03/33/23/884033323.db2.gz GFOXCOHTZAJVIH-UWVGGRQHSA-N 1 2 298.343 -1.284 20 0 CAADLO O=C(N[C@@H]1C[N@@H+](CCF)C[C@@H]1O)[C@@H]1CCNC1=O ZINC001083698766 884034480 /nfs/dbraw/zinc/03/44/80/884034480.db2.gz WFUOSZUOUWNGOF-HLTSFMKQSA-N 1 2 259.281 -1.747 20 0 CAADLO O=C(N[C@@H]1C[N@H+](CCF)C[C@@H]1O)[C@@H]1CCNC1=O ZINC001083698766 884034494 /nfs/dbraw/zinc/03/44/94/884034494.db2.gz WFUOSZUOUWNGOF-HLTSFMKQSA-N 1 2 259.281 -1.747 20 0 CAADLO C[C@@H]1[C@@H](NC(=O)C(=O)N2CC[C@H](C)C2)CC[N@@H+]1CC(N)=O ZINC001088967854 884035385 /nfs/dbraw/zinc/03/53/85/884035385.db2.gz WCMSPVDECADJSK-AXFHLTTASA-N 1 2 296.371 -1.081 20 0 CAADLO C[C@@H]1[C@@H](NC(=O)C(=O)N2CC[C@H](C)C2)CC[N@H+]1CC(N)=O ZINC001088967854 884035402 /nfs/dbraw/zinc/03/54/02/884035402.db2.gz WCMSPVDECADJSK-AXFHLTTASA-N 1 2 296.371 -1.081 20 0 CAADLO C[C@@H]1[C@@H](NC(=O)c2cc(C(N)=O)c[nH]2)CC[N@@H+]1CC(N)=O ZINC001088942932 884035577 /nfs/dbraw/zinc/03/55/77/884035577.db2.gz MBNBBRNCCGNNGC-APPZFPTMSA-N 1 2 293.327 -1.209 20 0 CAADLO C[C@@H]1[C@@H](NC(=O)c2cc(C(N)=O)c[nH]2)CC[N@H+]1CC(N)=O ZINC001088942932 884035588 /nfs/dbraw/zinc/03/55/88/884035588.db2.gz MBNBBRNCCGNNGC-APPZFPTMSA-N 1 2 293.327 -1.209 20 0 CAADLO CC(=O)NCC[NH+]1CCN(c2ccc3nnnn3n2)CC1 ZINC001096259920 884036512 /nfs/dbraw/zinc/03/65/12/884036512.db2.gz QODNONWNAGFMSL-UHFFFAOYSA-N 1 2 290.331 -1.223 20 0 CAADLO NC(=O)CC(=O)N1CC(n2cc(C[NH2+]CCF)nn2)C1 ZINC001105197038 884039177 /nfs/dbraw/zinc/03/91/77/884039177.db2.gz CZHNCIAHVNZYRR-UHFFFAOYSA-N 1 2 284.295 -1.404 20 0 CAADLO C[C@H]1C[C@@H]1C(=O)N1CC(n2cc(C[NH2+]CC(N)=O)nn2)C1 ZINC001105145216 884040066 /nfs/dbraw/zinc/04/00/66/884040066.db2.gz RWCBZSZXRJVSMY-KWQFWETISA-N 1 2 292.343 -1.108 20 0 CAADLO CCN(C)C(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1nnc[nH]1 ZINC001114988284 884047544 /nfs/dbraw/zinc/04/75/44/884047544.db2.gz BTVVYWUOSVQXKG-JZYVYDRUSA-N 1 2 292.343 -1.057 20 0 CAADLO CCN(C)C(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1nnc[nH]1 ZINC001114988284 884047560 /nfs/dbraw/zinc/04/75/60/884047560.db2.gz BTVVYWUOSVQXKG-JZYVYDRUSA-N 1 2 292.343 -1.057 20 0 CAADLO CCN(C)C(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ncn[nH]1 ZINC001114988284 884047568 /nfs/dbraw/zinc/04/75/68/884047568.db2.gz BTVVYWUOSVQXKG-JZYVYDRUSA-N 1 2 292.343 -1.057 20 0 CAADLO CCN(C)C(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ncn[nH]1 ZINC001114988284 884047588 /nfs/dbraw/zinc/04/75/88/884047588.db2.gz BTVVYWUOSVQXKG-JZYVYDRUSA-N 1 2 292.343 -1.057 20 0 CAADLO CN1CCN(c2cc(NC3(CO)COC3)[nH+]cn2)CC1=O ZINC001168177230 884066057 /nfs/dbraw/zinc/06/60/57/884066057.db2.gz HBWVZERSPVOLFF-UHFFFAOYSA-N 1 2 293.327 -1.072 20 0 CAADLO CN1CCN(c2cc(NC3(CO)COC3)nc[nH+]2)CC1=O ZINC001168177230 884066068 /nfs/dbraw/zinc/06/60/68/884066068.db2.gz HBWVZERSPVOLFF-UHFFFAOYSA-N 1 2 293.327 -1.072 20 0 CAADLO O=c1[nH]cnc(O)c1NC[C@H](O)C[NH+]1CCOCC1 ZINC001251005454 884080349 /nfs/dbraw/zinc/08/03/49/884080349.db2.gz CDEHVNOJVVYCAX-QMMMGPOBSA-N 1 2 270.289 -1.007 20 0 CAADLO O=S1CC2(C[NH+](C[C@H](O)CN3CCOCC3)C2)C1 ZINC001251008953 884080901 /nfs/dbraw/zinc/08/09/01/884080901.db2.gz IHBQWJCZDRDIFL-LLVKDONJSA-N 1 2 274.386 -1.256 20 0 CAADLO Cc1c(NC[C@H](O)C[NH+]2CCOCC2)c(C(N)=O)nn1C ZINC001251005358 884080935 /nfs/dbraw/zinc/08/09/35/884080935.db2.gz AVUVROUSGAPTAE-JTQLQIEISA-N 1 2 297.359 -1.068 20 0 CAADLO NC(=O)c1ncc(NC[C@H](O)C[NH+]2CCOCC2)cn1 ZINC001251005683 884081065 /nfs/dbraw/zinc/08/10/65/884081065.db2.gz DYEVODLJWANTBG-JTQLQIEISA-N 1 2 281.316 -1.320 20 0 CAADLO Cn1nnnc1C[NH2+]CC=CCNC(=O)[C@H]1COC(=O)N1 ZINC001273991911 884099769 /nfs/dbraw/zinc/09/97/69/884099769.db2.gz WGODNNXUXSFZSJ-UFUPEUMYSA-N 1 2 295.303 -1.920 20 0 CAADLO Cc1nnc(C[NH2+]CC2(NC(=O)C(N)=O)CCOCC2)o1 ZINC001273996015 884101300 /nfs/dbraw/zinc/10/13/00/884101300.db2.gz WKWAKRYVCLPXTK-UHFFFAOYSA-N 1 2 297.315 -1.382 20 0 CAADLO Cn1nnnc1C[NH2+]CC=CCNC(=O)[C@H]1COC(=O)N1 ZINC001273991912 884101369 /nfs/dbraw/zinc/10/13/69/884101369.db2.gz WGODNNXUXSFZSJ-YAJNLLPGSA-N 1 2 295.303 -1.920 20 0 CAADLO CN(C)C(=O)C[N@H+]1CC[C@](C)(NC(=O)C(N)=O)C1 ZINC001278420979 884105918 /nfs/dbraw/zinc/10/59/18/884105918.db2.gz QTDYDJMMQGQULM-NSHDSACASA-N 1 2 256.306 -1.860 20 0 CAADLO CN(C)C(=O)C[N@@H+]1CC[C@](C)(NC(=O)C(N)=O)C1 ZINC001278420979 884105915 /nfs/dbraw/zinc/10/59/15/884105915.db2.gz QTDYDJMMQGQULM-NSHDSACASA-N 1 2 256.306 -1.860 20 0 CAADLO NC(=O)C(=O)NC[C@@H]1CCCN1C(=O)Cn1cc[nH+]c1 ZINC001284687709 884111834 /nfs/dbraw/zinc/11/18/34/884111834.db2.gz CYJYNJUEIBJGJP-VIFPVBQESA-N 1 2 279.300 -1.524 20 0 CAADLO C[C@@H]1CS(=O)(=O)C[C@@H]1Nc1nc(N)nc(N)[nH+]1 ZINC001307213969 884121210 /nfs/dbraw/zinc/12/12/10/884121210.db2.gz PQKXIGKXQVAEEQ-UHNVWZDZSA-N 1 2 258.307 -1.119 20 0 CAADLO NC(=O)NC(=O)C[N@@H+]1CCc2n[nH]c(=O)cc2C1 ZINC001307702546 884124024 /nfs/dbraw/zinc/12/40/24/884124024.db2.gz JXURUSLLBWOCTB-UHFFFAOYSA-N 1 2 251.246 -1.265 20 0 CAADLO NC(=O)NC(=O)C[N@H+]1CCc2n[nH]c(=O)cc2C1 ZINC001307702546 884124028 /nfs/dbraw/zinc/12/40/28/884124028.db2.gz JXURUSLLBWOCTB-UHFFFAOYSA-N 1 2 251.246 -1.265 20 0 CAADLO O=c1cc(C[N@@H+](CCO)CCOCCO)nc2cc[nH]n21 ZINC001307830297 884124049 /nfs/dbraw/zinc/12/40/49/884124049.db2.gz ZORRKNLPBVHUPK-UHFFFAOYSA-N 1 2 296.327 -1.174 20 0 CAADLO O=c1cc(C[N@H+](CCO)CCOCCO)nc2cc[nH]n21 ZINC001307830297 884124054 /nfs/dbraw/zinc/12/40/54/884124054.db2.gz ZORRKNLPBVHUPK-UHFFFAOYSA-N 1 2 296.327 -1.174 20 0 CAADLO Cn1[nH]c(C[N@@H+]2C[C@@H]3C(=O)NC(=O)[C@@H]3C2)nc1=O ZINC001307786222 884125346 /nfs/dbraw/zinc/12/53/46/884125346.db2.gz VNXOHNAAPNUVLP-OLQVQODUSA-N 1 2 251.246 -2.187 20 0 CAADLO Cn1[nH]c(C[N@H+]2C[C@@H]3C(=O)NC(=O)[C@@H]3C2)nc1=O ZINC001307786222 884125355 /nfs/dbraw/zinc/12/53/55/884125355.db2.gz VNXOHNAAPNUVLP-OLQVQODUSA-N 1 2 251.246 -2.187 20 0 CAADLO Cn1[nH]c(C[NH+]2CCC(O)(COCCO)CC2)nc1=O ZINC001308089852 884127828 /nfs/dbraw/zinc/12/78/28/884127828.db2.gz OPMVVARQAXPVIN-UHFFFAOYSA-N 1 2 286.332 -1.556 20 0 CAADLO CCO[C@@H]1COC[C@H]1[NH2+]Cc1cn(CC(N)=O)nn1 ZINC001308403270 884131148 /nfs/dbraw/zinc/13/11/48/884131148.db2.gz BGHCKSDHJVOIMN-NXEZZACHSA-N 1 2 269.305 -1.343 20 0 CAADLO CNC(=O)CN(C)S(=O)(=O)N1CC[NH+](C)CC1 ZINC001308999084 884131913 /nfs/dbraw/zinc/13/19/13/884131913.db2.gz NEOBLXOXCRTTEE-UHFFFAOYSA-N 1 2 264.351 -1.844 20 0 CAADLO O=C(CO[C@H]1CCOC1)N1CC[NH+](CCO)CC1 ZINC001313444771 884148973 /nfs/dbraw/zinc/14/89/73/884148973.db2.gz JCRWQDRAZAPDES-NSHDSACASA-N 1 2 258.318 -1.072 20 0 CAADLO CN(C[C@@H]1CC[N@@H+]1CCNC(=O)C1CC1)C(=O)C(N)=O ZINC001316602553 884150739 /nfs/dbraw/zinc/15/07/39/884150739.db2.gz BCCTWXUUQAJPJC-JTQLQIEISA-N 1 2 282.344 -1.469 20 0 CAADLO CN(C[C@@H]1CC[N@H+]1CCNC(=O)C1CC1)C(=O)C(N)=O ZINC001316602553 884150745 /nfs/dbraw/zinc/15/07/45/884150745.db2.gz BCCTWXUUQAJPJC-JTQLQIEISA-N 1 2 282.344 -1.469 20 0 CAADLO Cc1nnc(C[N@H+](C)CCCNC(=O)CC(N)=O)[nH]1 ZINC001316816288 884153676 /nfs/dbraw/zinc/15/36/76/884153676.db2.gz NTXYZJVLEZHQNG-UHFFFAOYSA-N 1 2 268.321 -1.073 20 0 CAADLO Cc1nnc(C[N@@H+](C)CCCNC(=O)CC(N)=O)[nH]1 ZINC001316816288 884153685 /nfs/dbraw/zinc/15/36/85/884153685.db2.gz NTXYZJVLEZHQNG-UHFFFAOYSA-N 1 2 268.321 -1.073 20 0 CAADLO CN(C)C(=O)C[N@H+](C)CCCNC(=O)c1cnn[nH]1 ZINC001316834044 884156305 /nfs/dbraw/zinc/15/63/05/884156305.db2.gz XFKQQCRDVKVPAS-UHFFFAOYSA-N 1 2 268.321 -1.055 20 0 CAADLO CN(C)C(=O)C[N@@H+](C)CCCNC(=O)c1cnn[nH]1 ZINC001316834044 884156318 /nfs/dbraw/zinc/15/63/18/884156318.db2.gz XFKQQCRDVKVPAS-UHFFFAOYSA-N 1 2 268.321 -1.055 20 0 CAADLO CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCNC2=O)C1 ZINC001316946423 884157762 /nfs/dbraw/zinc/15/77/62/884157762.db2.gz BDSAWGHVCCOBFV-MNOVXSKESA-N 1 2 296.371 -1.161 20 0 CAADLO CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCNC2=O)C1 ZINC001316946423 884157769 /nfs/dbraw/zinc/15/77/69/884157769.db2.gz BDSAWGHVCCOBFV-MNOVXSKESA-N 1 2 296.371 -1.161 20 0 CAADLO CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCNC2=O)C1 ZINC001316946425 884158064 /nfs/dbraw/zinc/15/80/64/884158064.db2.gz BDSAWGHVCCOBFV-QWRGUYRKSA-N 1 2 296.371 -1.161 20 0 CAADLO CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)[C@H]2CCNC2=O)C1 ZINC001316946425 884158071 /nfs/dbraw/zinc/15/80/71/884158071.db2.gz BDSAWGHVCCOBFV-QWRGUYRKSA-N 1 2 296.371 -1.161 20 0 CAADLO NC(=O)C(=O)N[C@@H]1CCC[N@H+](CCNC(=O)C2CC2)C1 ZINC001316948665 884158276 /nfs/dbraw/zinc/15/82/76/884158276.db2.gz HHKVLFJWGBTMGM-SNVBAGLBSA-N 1 2 282.344 -1.422 20 0 CAADLO NC(=O)C(=O)N[C@@H]1CCC[N@@H+](CCNC(=O)C2CC2)C1 ZINC001316948665 884158285 /nfs/dbraw/zinc/15/82/85/884158285.db2.gz HHKVLFJWGBTMGM-SNVBAGLBSA-N 1 2 282.344 -1.422 20 0 CAADLO CC(=O)N[C@@H](C)C(=O)N[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001316969997 884162507 /nfs/dbraw/zinc/16/25/07/884162507.db2.gz VDVOJGYVBJWOQJ-IONNQARKSA-N 1 2 256.306 -1.813 20 0 CAADLO CC(=O)N[C@@H](C)C(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001316969997 884162514 /nfs/dbraw/zinc/16/25/14/884162514.db2.gz VDVOJGYVBJWOQJ-IONNQARKSA-N 1 2 256.306 -1.813 20 0 CAADLO CC(C)N(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)C(N)=O)C1 ZINC001316986926 884167835 /nfs/dbraw/zinc/16/78/35/884167835.db2.gz UCGLROQHJPQBHE-SECBINFHSA-N 1 2 270.333 -1.471 20 0 CAADLO CC(C)N(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)C(N)=O)C1 ZINC001316986926 884167841 /nfs/dbraw/zinc/16/78/41/884167841.db2.gz UCGLROQHJPQBHE-SECBINFHSA-N 1 2 270.333 -1.471 20 0 CAADLO CN(C)c1noc(C[NH2+][C@@H](CNC(=O)C(N)=O)C2CC2)n1 ZINC001317021947 884169829 /nfs/dbraw/zinc/16/98/29/884169829.db2.gz AFWRSUCSRYKJEA-QMMMGPOBSA-N 1 2 296.331 -1.395 20 0 CAADLO CCN(C)C(=O)C[N@@H+]1CCCC[C@H]1CNC(=O)C(N)=O ZINC001317176771 884174964 /nfs/dbraw/zinc/17/49/64/884174964.db2.gz DZXNHWHESNSPKJ-JTQLQIEISA-N 1 2 284.360 -1.079 20 0 CAADLO CCN(C)C(=O)C[N@H+]1CCCC[C@H]1CNC(=O)C(N)=O ZINC001317176771 884174974 /nfs/dbraw/zinc/17/49/74/884174974.db2.gz DZXNHWHESNSPKJ-JTQLQIEISA-N 1 2 284.360 -1.079 20 0 CAADLO C[C@@H](CNC(=O)[C@@H]1CCNC1=O)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001317255953 884180998 /nfs/dbraw/zinc/18/09/98/884180998.db2.gz KNRKCUZALIFURQ-JGVFFNPUSA-N 1 2 296.331 -2.161 20 0 CAADLO C[C@H](CNC(=O)[C@@H]1CCNC1=O)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001317255940 884182156 /nfs/dbraw/zinc/18/21/56/884182156.db2.gz KNRKCUZALIFURQ-HTQZYQBOSA-N 1 2 296.331 -2.161 20 0 CAADLO C[C@H](CNC(=O)[C@H]1CCNC1=O)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001317255956 884182596 /nfs/dbraw/zinc/18/25/96/884182596.db2.gz KNRKCUZALIFURQ-SFYZADRCSA-N 1 2 296.331 -2.161 20 0 CAADLO C[C@H](CNC(=O)c1nnn(C)n1)[NH2+]Cc1cnon1 ZINC001317261466 884182927 /nfs/dbraw/zinc/18/29/27/884182927.db2.gz IVWIKUZAPAKXDY-ZCFIWIBFSA-N 1 2 266.265 -1.499 20 0 CAADLO C[N@H+](CCNC(=O)C[C@@H]1COC(=O)C1)CC(N)=O ZINC001317441959 884197565 /nfs/dbraw/zinc/19/75/65/884197565.db2.gz CQNMZTIXBZRZLE-QMMMGPOBSA-N 1 2 257.290 -1.527 20 0 CAADLO C[N@@H+](CCNC(=O)C[C@@H]1COC(=O)C1)CC(N)=O ZINC001317441959 884197570 /nfs/dbraw/zinc/19/75/70/884197570.db2.gz CQNMZTIXBZRZLE-QMMMGPOBSA-N 1 2 257.290 -1.527 20 0 CAADLO CNC(=O)C[N@H+](C)CCNC(=O)CCCC(N)=O ZINC001317473629 884199396 /nfs/dbraw/zinc/19/93/96/884199396.db2.gz YCILIKOHMYIGRJ-UHFFFAOYSA-N 1 2 258.322 -1.564 20 0 CAADLO CNC(=O)C[N@@H+](C)CCNC(=O)CCCC(N)=O ZINC001317473629 884199403 /nfs/dbraw/zinc/19/94/03/884199403.db2.gz YCILIKOHMYIGRJ-UHFFFAOYSA-N 1 2 258.322 -1.564 20 0 CAADLO Cn1cc(CCC(=O)NCC[N@H+](C)CC(N)=O)nn1 ZINC001317473400 884199453 /nfs/dbraw/zinc/19/94/53/884199453.db2.gz TUVYTQLMFJSKAU-UHFFFAOYSA-N 1 2 268.321 -1.719 20 0 CAADLO Cn1cc(CCC(=O)NCC[N@@H+](C)CC(N)=O)nn1 ZINC001317473400 884199459 /nfs/dbraw/zinc/19/94/59/884199459.db2.gz TUVYTQLMFJSKAU-UHFFFAOYSA-N 1 2 268.321 -1.719 20 0 CAADLO C[N@H+](CCNC(=O)C(N)=O)C[C@@H]1CCCS(=O)(=O)C1 ZINC001317459264 884200802 /nfs/dbraw/zinc/20/08/02/884200802.db2.gz LKBZHUHDEFPTLQ-VIFPVBQESA-N 1 2 291.373 -1.656 20 0 CAADLO C[N@@H+](CCNC(=O)C(N)=O)C[C@@H]1CCCS(=O)(=O)C1 ZINC001317459264 884200820 /nfs/dbraw/zinc/20/08/20/884200820.db2.gz LKBZHUHDEFPTLQ-VIFPVBQESA-N 1 2 291.373 -1.656 20 0 CAADLO Cc1nccnc1C[N@H+](C)CCNC(=O)C(N)=O ZINC001317460001 884201950 /nfs/dbraw/zinc/20/19/50/884201950.db2.gz RZLNZUPRDSGGFC-UHFFFAOYSA-N 1 2 251.290 -1.182 20 0 CAADLO Cc1nccnc1C[N@@H+](C)CCNC(=O)C(N)=O ZINC001317460001 884201962 /nfs/dbraw/zinc/20/19/62/884201962.db2.gz RZLNZUPRDSGGFC-UHFFFAOYSA-N 1 2 251.290 -1.182 20 0 CAADLO CN(C(=O)C[N@H+](C)CCNC(=O)[C@@H]1CCNC1=O)C1CC1 ZINC001317459348 884202014 /nfs/dbraw/zinc/20/20/14/884202014.db2.gz OJUMRCNBVSXVFL-LLVKDONJSA-N 1 2 296.371 -1.209 20 0 CAADLO CN(C(=O)C[N@@H+](C)CCNC(=O)[C@@H]1CCNC1=O)C1CC1 ZINC001317459348 884202028 /nfs/dbraw/zinc/20/20/28/884202028.db2.gz OJUMRCNBVSXVFL-LLVKDONJSA-N 1 2 296.371 -1.209 20 0 CAADLO CC[N@H+](CCNC(=O)c1cn[nH]n1)[C@H](C)C(=O)NC ZINC001317480926 884205963 /nfs/dbraw/zinc/20/59/63/884205963.db2.gz BSOGZRILPANOJC-MRVPVSSYSA-N 1 2 268.321 -1.009 20 0 CAADLO CC[N@@H+](CCNC(=O)c1cn[nH]n1)[C@H](C)C(=O)NC ZINC001317480926 884205984 /nfs/dbraw/zinc/20/59/84/884205984.db2.gz BSOGZRILPANOJC-MRVPVSSYSA-N 1 2 268.321 -1.009 20 0 CAADLO Cn1[nH]c(C[N@H+](C)CCNC(=O)[C@@H]2CCNC2=O)nc1=O ZINC001317458222 884204270 /nfs/dbraw/zinc/20/42/70/884204270.db2.gz FMWXMWASEHLUIG-MRVPVSSYSA-N 1 2 296.331 -2.208 20 0 CAADLO Cn1[nH]c(C[N@@H+](C)CCNC(=O)[C@@H]2CCNC2=O)nc1=O ZINC001317458222 884204284 /nfs/dbraw/zinc/20/42/84/884204284.db2.gz FMWXMWASEHLUIG-MRVPVSSYSA-N 1 2 296.331 -2.208 20 0 CAADLO CC[N@H+](CCNC(=O)c1cnn[nH]1)[C@H](C)C(=O)NC ZINC001317480926 884205999 /nfs/dbraw/zinc/20/59/99/884205999.db2.gz BSOGZRILPANOJC-MRVPVSSYSA-N 1 2 268.321 -1.009 20 0 CAADLO CC[N@@H+](CCNC(=O)c1cnn[nH]1)[C@H](C)C(=O)NC ZINC001317480926 884206010 /nfs/dbraw/zinc/20/60/10/884206010.db2.gz BSOGZRILPANOJC-MRVPVSSYSA-N 1 2 268.321 -1.009 20 0 CAADLO CCN(C)C(=O)C[N@H+](CC)CCNC(=O)C(N)=O ZINC001317484753 884207572 /nfs/dbraw/zinc/20/75/72/884207572.db2.gz SGQZCLFWPGKEJZ-UHFFFAOYSA-N 1 2 258.322 -1.612 20 0 CAADLO CCN(C)C(=O)C[N@@H+](CC)CCNC(=O)C(N)=O ZINC001317484753 884207585 /nfs/dbraw/zinc/20/75/85/884207585.db2.gz SGQZCLFWPGKEJZ-UHFFFAOYSA-N 1 2 258.322 -1.612 20 0 CAADLO CCn1nncc1C[N@@H+]1CCC[C@H]1CNC(=O)C(N)=O ZINC001317510093 884208745 /nfs/dbraw/zinc/20/87/45/884208745.db2.gz UKUVXKQADGPEAB-VIFPVBQESA-N 1 2 280.332 -1.136 20 0 CAADLO CCn1nncc1C[N@H+]1CCC[C@H]1CNC(=O)C(N)=O ZINC001317510093 884208766 /nfs/dbraw/zinc/20/87/66/884208766.db2.gz UKUVXKQADGPEAB-VIFPVBQESA-N 1 2 280.332 -1.136 20 0 CAADLO Cn1nnnc1C[N@@H+]1CC[C@@H](CNC(=O)C(N)=O)C1 ZINC001317534569 884213388 /nfs/dbraw/zinc/21/33/88/884213388.db2.gz DYHAMVXAOIXDJK-ZETCQYMHSA-N 1 2 267.293 -2.367 20 0 CAADLO Cn1nnnc1C[N@H+]1CC[C@@H](CNC(=O)C(N)=O)C1 ZINC001317534569 884213397 /nfs/dbraw/zinc/21/33/97/884213397.db2.gz DYHAMVXAOIXDJK-ZETCQYMHSA-N 1 2 267.293 -2.367 20 0 CAADLO CN(C)c1noc(C[N@@H+]2CC[C@H](CNC(=O)C(N)=O)C2)n1 ZINC001317531810 884217875 /nfs/dbraw/zinc/21/78/75/884217875.db2.gz WLLRWALFMYLCRI-MRVPVSSYSA-N 1 2 296.331 -1.441 20 0 CAADLO CN(C)c1noc(C[N@H+]2CC[C@H](CNC(=O)C(N)=O)C2)n1 ZINC001317531810 884217896 /nfs/dbraw/zinc/21/78/96/884217896.db2.gz WLLRWALFMYLCRI-MRVPVSSYSA-N 1 2 296.331 -1.441 20 0 CAADLO CN(CC[NH2+]Cc1cnn(C)n1)C(=O)CS(C)(=O)=O ZINC001317570437 884217933 /nfs/dbraw/zinc/21/79/33/884217933.db2.gz QHHMPKHAYBKAMK-UHFFFAOYSA-N 1 2 289.361 -1.592 20 0 CAADLO CN(CC[NH2+]Cc1nc(=O)n(C)[nH]1)C(=O)c1cc[nH]n1 ZINC001317568465 884218368 /nfs/dbraw/zinc/21/83/68/884218368.db2.gz CPABRRLKBVWQIL-UHFFFAOYSA-N 1 2 279.304 -1.307 20 0 CAADLO CN(CC[NH2+]Cc1nc(=O)n(C)[nH]1)C(=O)c1ccn[nH]1 ZINC001317568465 884218393 /nfs/dbraw/zinc/21/83/93/884218393.db2.gz CPABRRLKBVWQIL-UHFFFAOYSA-N 1 2 279.304 -1.307 20 0 CAADLO Cc1noc(C[NH2+]CCN(C)C(=O)Cn2cnnn2)n1 ZINC001317565145 884218555 /nfs/dbraw/zinc/21/85/55/884218555.db2.gz QYVGQGZGGVTFJD-UHFFFAOYSA-N 1 2 280.292 -1.387 20 0 CAADLO Cc1nonc1C[NH2+]CCN(C)C(=O)CS(C)(=O)=O ZINC001317572543 884221474 /nfs/dbraw/zinc/22/14/74/884221474.db2.gz MDPIDLVYXYPQHU-UHFFFAOYSA-N 1 2 290.345 -1.029 20 0 CAADLO CC[C@H](C(=O)N(C)CCNCc1nc(=O)n(C)[nH]1)[NH+](C)C ZINC001317598939 884225207 /nfs/dbraw/zinc/22/52/07/884225207.db2.gz MSGUUFWLYISFLX-SNVBAGLBSA-N 1 2 298.391 -1.003 20 0 CAADLO CN(CC[NH2+]Cc1cnsn1)C(=O)c1nnn(C)n1 ZINC001317621098 884225365 /nfs/dbraw/zinc/22/53/65/884225365.db2.gz ZVKYHTVIOZTTJA-UHFFFAOYSA-N 1 2 282.333 -1.077 20 0 CAADLO C[C@@H]([NH2+]CCN(C)C(=O)C(N)=O)c1nnnn1C ZINC001317627421 884230181 /nfs/dbraw/zinc/23/01/81/884230181.db2.gz NJOXFUPJCRDUGA-ZCFIWIBFSA-N 1 2 255.282 -2.196 20 0 CAADLO O=C(Cn1ccc(=O)[nH]c1=O)NCCn1cc[nH+]c1 ZINC001317904784 884240852 /nfs/dbraw/zinc/24/08/52/884240852.db2.gz GKDJQSXUGZZFBE-UHFFFAOYSA-N 1 2 263.257 -1.038 20 0 CAADLO COC[C@H](O)C[NH+]1CC(NC(=O)CC(C)(C)O)C1 ZINC001318019547 884247708 /nfs/dbraw/zinc/24/77/08/884247708.db2.gz BDIDDIKQCNXJPB-SNVBAGLBSA-N 1 2 260.334 -1.045 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(NC(=O)c2cnnn2C)C1 ZINC001318019853 884248063 /nfs/dbraw/zinc/24/80/63/884248063.db2.gz FSXRDYNYULLYDW-VIFPVBQESA-N 1 2 269.305 -1.764 20 0 CAADLO CC[C@@]1(C(=O)NC2C[NH+](C[C@@H](O)COC)C2)CCNC1=O ZINC001318032086 884248848 /nfs/dbraw/zinc/24/88/48/884248848.db2.gz HZDYRVQPECYKAF-BXUZGUMPSA-N 1 2 299.371 -1.290 20 0 CAADLO CCOCC[NH+]1CC(NC(=O)CN2C(=O)CNC2=O)C1 ZINC001318085311 884252008 /nfs/dbraw/zinc/25/20/08/884252008.db2.gz CNHKEGNRQDPEJK-UHFFFAOYSA-N 1 2 284.316 -1.625 20 0 CAADLO CCOCC[NH+]1CC(NC(=O)CN2C(=O)CCC2=O)C1 ZINC001318086421 884252176 /nfs/dbraw/zinc/25/21/76/884252176.db2.gz QYQZNVBTUVJMIW-UHFFFAOYSA-N 1 2 283.328 -1.028 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(NC(=O)CN2C(=O)CCC2=O)C1 ZINC001318085599 884253742 /nfs/dbraw/zinc/25/37/42/884253742.db2.gz GLTSGGONGKZVHO-JTQLQIEISA-N 1 2 299.327 -2.057 20 0 CAADLO NC(=O)C[NH+]1CC(CNC(=O)C[C@H]2CCOC2)C1 ZINC001318149144 884255605 /nfs/dbraw/zinc/25/56/05/884255605.db2.gz DBHGYEHRWPZZEZ-SECBINFHSA-N 1 2 255.318 -1.054 20 0 CAADLO O=C(CCc1cnn[nH]1)NCC1C[NH+](CCO)C1 ZINC001318154338 884256264 /nfs/dbraw/zinc/25/62/64/884256264.db2.gz GHAJFJWQGFINOM-UHFFFAOYSA-N 1 2 253.306 -1.222 20 0 CAADLO CNC(=O)C[NH+]1CC(CNC(=O)C[C@H]2CC(=O)NC2=O)C1 ZINC001318184714 884256718 /nfs/dbraw/zinc/25/67/18/884256718.db2.gz MEFLMRPPEJOQLU-VIFPVBQESA-N 1 2 296.327 -2.167 20 0 CAADLO Cn1ccc(CC(=O)NCC2C[NH+](CC(N)=O)C2)n1 ZINC001318118865 884257597 /nfs/dbraw/zinc/25/75/97/884257597.db2.gz FKACCGXDASQEDD-UHFFFAOYSA-N 1 2 265.317 -1.504 20 0 CAADLO NC(=O)C[NH+]1CC(CNC(=O)C2(C(N)=O)CC2)C1 ZINC001318148014 884257628 /nfs/dbraw/zinc/25/76/28/884257628.db2.gz COIVREMCNGSXPO-UHFFFAOYSA-N 1 2 254.290 -2.215 20 0 CAADLO CCCNC(=O)C[NH+]1CC(CNC(=O)C2(C(N)=O)CC2)C1 ZINC001318147979 884257938 /nfs/dbraw/zinc/25/79/38/884257938.db2.gz BKAGTPQTXAVQEA-UHFFFAOYSA-N 1 2 296.371 -1.174 20 0 CAADLO C[C@H]1C[N@H+](CCNC(=O)CN2C(=O)CNC2=O)CCO1 ZINC001318194988 884260330 /nfs/dbraw/zinc/26/03/30/884260330.db2.gz HBMGWCKOAKNYRL-VIFPVBQESA-N 1 2 284.316 -1.625 20 0 CAADLO C[C@H]1C[N@@H+](CCNC(=O)CN2C(=O)CNC2=O)CCO1 ZINC001318194988 884260342 /nfs/dbraw/zinc/26/03/42/884260342.db2.gz HBMGWCKOAKNYRL-VIFPVBQESA-N 1 2 284.316 -1.625 20 0 CAADLO C[C@@H]1C[N@H+](CCNC(=O)CN2C(=O)CNC2=O)CCO1 ZINC001318194987 884263215 /nfs/dbraw/zinc/26/32/15/884263215.db2.gz HBMGWCKOAKNYRL-SECBINFHSA-N 1 2 284.316 -1.625 20 0 CAADLO C[C@@H]1C[N@@H+](CCNC(=O)CN2C(=O)CNC2=O)CCO1 ZINC001318194987 884263230 /nfs/dbraw/zinc/26/32/30/884263230.db2.gz HBMGWCKOAKNYRL-SECBINFHSA-N 1 2 284.316 -1.625 20 0 CAADLO CCNC(=O)CC(=O)N[C@@H]1CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001318326462 884265384 /nfs/dbraw/zinc/26/53/84/884265384.db2.gz PJVTXUFKHQCMJY-MRVPVSSYSA-N 1 2 299.331 -2.102 20 0 CAADLO CCNC(=O)CC(=O)N[C@@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001318326462 884265403 /nfs/dbraw/zinc/26/54/03/884265403.db2.gz PJVTXUFKHQCMJY-MRVPVSSYSA-N 1 2 299.331 -2.102 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+]1CC[C@H](NC(=O)C(=O)NCC2CC2)C1 ZINC001318290491 884265512 /nfs/dbraw/zinc/26/55/12/884265512.db2.gz AAXNDXMBIXFVPQ-ONGXEEELSA-N 1 2 296.371 -1.162 20 0 CAADLO CNC(=O)[C@H](C)[N@H+]1CC[C@H](NC(=O)C(=O)NCC2CC2)C1 ZINC001318290491 884265529 /nfs/dbraw/zinc/26/55/29/884265529.db2.gz AAXNDXMBIXFVPQ-ONGXEEELSA-N 1 2 296.371 -1.162 20 0 CAADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)CC[C@@H]1NC(=O)NC1=O ZINC001318343634 884269181 /nfs/dbraw/zinc/26/91/81/884269181.db2.gz LXDYVILVOITPLI-ZJUUUORDSA-N 1 2 298.343 -1.189 20 0 CAADLO C[C@@H]1COCC[N@H+]1CCNC(=O)CC[C@@H]1NC(=O)NC1=O ZINC001318343634 884269197 /nfs/dbraw/zinc/26/91/97/884269197.db2.gz LXDYVILVOITPLI-ZJUUUORDSA-N 1 2 298.343 -1.189 20 0 CAADLO C[C@H]1COCC[N@@H+]1CCNC(=O)CC[C@H]1NC(=O)NC1=O ZINC001318343633 884270392 /nfs/dbraw/zinc/27/03/92/884270392.db2.gz LXDYVILVOITPLI-VHSXEESVSA-N 1 2 298.343 -1.189 20 0 CAADLO C[C@H]1COCC[N@H+]1CCNC(=O)CC[C@H]1NC(=O)NC1=O ZINC001318343633 884270401 /nfs/dbraw/zinc/27/04/01/884270401.db2.gz LXDYVILVOITPLI-VHSXEESVSA-N 1 2 298.343 -1.189 20 0 CAADLO CC(C)CNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)C(N)=O)C1 ZINC001318351587 884272812 /nfs/dbraw/zinc/27/28/12/884272812.db2.gz PIDYTDLLZKLGRN-NXEZZACHSA-N 1 2 284.360 -1.177 20 0 CAADLO CC(C)CNC(=O)[C@@H](C)[N@H+]1CC[C@@H](NC(=O)C(N)=O)C1 ZINC001318351587 884272822 /nfs/dbraw/zinc/27/28/22/884272822.db2.gz PIDYTDLLZKLGRN-NXEZZACHSA-N 1 2 284.360 -1.177 20 0 CAADLO CN1CC[N@H+](C)[C@H](CNC(=O)CCN2C(=O)CCC2=O)C1 ZINC001318394376 884274295 /nfs/dbraw/zinc/27/42/95/884274295.db2.gz KVWJVGCEQBSSBH-LLVKDONJSA-N 1 2 296.371 -1.113 20 0 CAADLO CN1CC[N@@H+](C)[C@H](CNC(=O)CCN2C(=O)CCC2=O)C1 ZINC001318394376 884274310 /nfs/dbraw/zinc/27/43/10/884274310.db2.gz KVWJVGCEQBSSBH-LLVKDONJSA-N 1 2 296.371 -1.113 20 0 CAADLO CN(C)C(=O)CNC(=S)NC[C@@H]1CN(C)CC[N@@H+]1C ZINC001318409932 884276868 /nfs/dbraw/zinc/27/68/68/884276868.db2.gz SMIUDZPGDDXMGD-SNVBAGLBSA-N 1 2 287.433 -1.216 20 0 CAADLO CN(C)C(=O)CNC(=S)NC[C@@H]1CN(C)CC[N@H+]1C ZINC001318409932 884276883 /nfs/dbraw/zinc/27/68/83/884276883.db2.gz SMIUDZPGDDXMGD-SNVBAGLBSA-N 1 2 287.433 -1.216 20 0 CAADLO CN(C(=O)CC(N)=O)[C@H]1CC[N@H+](CCS(C)(=O)=O)C1 ZINC001318395811 884277703 /nfs/dbraw/zinc/27/77/03/884277703.db2.gz UUCVASVVQVMGOX-VIFPVBQESA-N 1 2 291.373 -1.561 20 0 CAADLO CN(C(=O)CC(N)=O)[C@H]1CC[N@@H+](CCS(C)(=O)=O)C1 ZINC001318395811 884277721 /nfs/dbraw/zinc/27/77/21/884277721.db2.gz UUCVASVVQVMGOX-VIFPVBQESA-N 1 2 291.373 -1.561 20 0 CAADLO NC(=O)[C@H]1C[N@@H+](CCCN2C(=O)CNC2=O)CCO1 ZINC001318552203 884285985 /nfs/dbraw/zinc/28/59/85/884285985.db2.gz SSNRMLUGYRZBKZ-MRVPVSSYSA-N 1 2 270.289 -1.886 20 0 CAADLO CCCn1nnnc1C[NH2+][C@H](CC)CNC(=O)C(N)=O ZINC001318570322 884285737 /nfs/dbraw/zinc/28/57/37/884285737.db2.gz ZMDPSBRSENCIHY-MRVPVSSYSA-N 1 2 283.336 -1.447 20 0 CAADLO NC(=O)[C@H]1C[N@H+](CCCN2C(=O)CNC2=O)CCO1 ZINC001318552203 884285966 /nfs/dbraw/zinc/28/59/66/884285966.db2.gz SSNRMLUGYRZBKZ-MRVPVSSYSA-N 1 2 270.289 -1.886 20 0 CAADLO NC(=O)[C@@H]1C[N@H+](CCCN2C(=O)CNC2=O)CCO1 ZINC001318552204 884286184 /nfs/dbraw/zinc/28/61/84/884286184.db2.gz SSNRMLUGYRZBKZ-QMMMGPOBSA-N 1 2 270.289 -1.886 20 0 CAADLO NC(=O)[C@@H]1C[N@@H+](CCCN2C(=O)CNC2=O)CCO1 ZINC001318552204 884286204 /nfs/dbraw/zinc/28/62/04/884286204.db2.gz SSNRMLUGYRZBKZ-QMMMGPOBSA-N 1 2 270.289 -1.886 20 0 CAADLO CCN1C(=O)[C@H]2C[N@H+](CCS(N)(=O)=O)CCN2C1=O ZINC001318982521 884302829 /nfs/dbraw/zinc/30/28/29/884302829.db2.gz ZIIWOURQMDDYSD-MRVPVSSYSA-N 1 2 290.345 -1.757 20 0 CAADLO CCN1C(=O)[C@H]2C[N@@H+](CCS(N)(=O)=O)CCN2C1=O ZINC001318982521 884302843 /nfs/dbraw/zinc/30/28/43/884302843.db2.gz ZIIWOURQMDDYSD-MRVPVSSYSA-N 1 2 290.345 -1.757 20 0 CAADLO C[N@@H+]1CCO[C@@H](C(=O)Nc2ccn(CC(N)=O)n2)C1 ZINC001319027920 884304292 /nfs/dbraw/zinc/30/42/92/884304292.db2.gz ZSDYODBTELAULE-MRVPVSSYSA-N 1 2 267.289 -1.363 20 0 CAADLO C[N@H+]1CCO[C@@H](C(=O)Nc2ccn(CC(N)=O)n2)C1 ZINC001319027920 884304304 /nfs/dbraw/zinc/30/43/04/884304304.db2.gz ZSDYODBTELAULE-MRVPVSSYSA-N 1 2 267.289 -1.363 20 0 CAADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NC1CC1 ZINC001319118101 884307017 /nfs/dbraw/zinc/30/70/17/884307017.db2.gz ACBMDIMIOSSBKY-LLVKDONJSA-N 1 2 285.344 -1.584 20 0 CAADLO CNS(=O)(=O)CC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC001319125207 884310982 /nfs/dbraw/zinc/31/09/82/884310982.db2.gz DNKXQQMMHYEUPD-MRVPVSSYSA-N 1 2 260.319 -1.063 20 0 CAADLO NC(=O)NC(=O)CCNC(=O)CCn1cc[nH+]c1 ZINC001319163446 884311894 /nfs/dbraw/zinc/31/18/94/884311894.db2.gz KAJCRVVBAOZBMK-UHFFFAOYSA-N 1 2 253.262 -1.026 20 0 CAADLO O=C(Cn1cccn1)NC[C@H]1C[N@H+](CCO)CCO1 ZINC001319295198 884318234 /nfs/dbraw/zinc/31/82/34/884318234.db2.gz LICQJUZWIKAMLZ-NSHDSACASA-N 1 2 268.317 -1.308 20 0 CAADLO O=C(Cn1cccn1)NC[C@H]1C[N@@H+](CCO)CCO1 ZINC001319295198 884318252 /nfs/dbraw/zinc/31/82/52/884318252.db2.gz LICQJUZWIKAMLZ-NSHDSACASA-N 1 2 268.317 -1.308 20 0 CAADLO O=C(Cc1cc[nH]n1)NC[C@@H]1C[N@H+](CCO)CCO1 ZINC001319297376 884318310 /nfs/dbraw/zinc/31/83/10/884318310.db2.gz OMWOQKCZCBVIFD-LLVKDONJSA-N 1 2 268.317 -1.239 20 0 CAADLO O=C(Cc1cc[nH]n1)NC[C@@H]1C[N@@H+](CCO)CCO1 ZINC001319297376 884318322 /nfs/dbraw/zinc/31/83/22/884318322.db2.gz OMWOQKCZCBVIFD-LLVKDONJSA-N 1 2 268.317 -1.239 20 0 CAADLO NC(=O)C(=O)NC[C@H]1C[N@H+](CCOCCO)CCO1 ZINC001319318454 884321495 /nfs/dbraw/zinc/32/14/95/884321495.db2.gz KBBNVSPEYGXJGO-VIFPVBQESA-N 1 2 275.305 -2.702 20 0 CAADLO NC(=O)C(=O)NC[C@H]1C[N@@H+](CCOCCO)CCO1 ZINC001319318454 884321513 /nfs/dbraw/zinc/32/15/13/884321513.db2.gz KBBNVSPEYGXJGO-VIFPVBQESA-N 1 2 275.305 -2.702 20 0 CAADLO O=C(C[C@@H]1CC(=O)NC1=O)NC[C@@H]1C[N@H+](CCO)CCO1 ZINC001319331729 884322342 /nfs/dbraw/zinc/32/23/42/884322342.db2.gz HQLURBHYDHYEON-NXEZZACHSA-N 1 2 299.327 -2.152 20 0 CAADLO O=C(C[C@@H]1CC(=O)NC1=O)NC[C@@H]1C[N@@H+](CCO)CCO1 ZINC001319331729 884322362 /nfs/dbraw/zinc/32/23/62/884322362.db2.gz HQLURBHYDHYEON-NXEZZACHSA-N 1 2 299.327 -2.152 20 0 CAADLO O=C(C[C@H]1CC(=O)NC1=O)NC[C@@H]1C[N@H+](CCO)CCO1 ZINC001319331734 884322422 /nfs/dbraw/zinc/32/24/22/884322422.db2.gz HQLURBHYDHYEON-VHSXEESVSA-N 1 2 299.327 -2.152 20 0 CAADLO O=C(C[C@H]1CC(=O)NC1=O)NC[C@@H]1C[N@@H+](CCO)CCO1 ZINC001319331734 884322439 /nfs/dbraw/zinc/32/24/39/884322439.db2.gz HQLURBHYDHYEON-VHSXEESVSA-N 1 2 299.327 -2.152 20 0 CAADLO COCCOCC[N@@H+]1CCO[C@H](CNC(=O)C(N)=O)C1 ZINC001319319225 884323330 /nfs/dbraw/zinc/32/33/30/884323330.db2.gz PGLGPUMEGGDNTH-SNVBAGLBSA-N 1 2 289.332 -2.048 20 0 CAADLO COCCOCC[N@H+]1CCO[C@H](CNC(=O)C(N)=O)C1 ZINC001319319225 884323351 /nfs/dbraw/zinc/32/33/51/884323351.db2.gz PGLGPUMEGGDNTH-SNVBAGLBSA-N 1 2 289.332 -2.048 20 0 CAADLO NC(=O)C(=O)NC[C@H]1C[N@H+](CCOCC2CC2)CCO1 ZINC001319319409 884324758 /nfs/dbraw/zinc/32/47/58/884324758.db2.gz QWVUGJNORPUYLX-NSHDSACASA-N 1 2 285.344 -1.285 20 0 CAADLO NC(=O)C(=O)NC[C@H]1C[N@@H+](CCOCC2CC2)CCO1 ZINC001319319409 884324772 /nfs/dbraw/zinc/32/47/72/884324772.db2.gz QWVUGJNORPUYLX-NSHDSACASA-N 1 2 285.344 -1.285 20 0 CAADLO O=C(C[C@H]1CC(=O)NC1=O)NC[C@H]1C[N@H+](CCO)CCO1 ZINC001319331732 884324985 /nfs/dbraw/zinc/32/49/85/884324985.db2.gz HQLURBHYDHYEON-UWVGGRQHSA-N 1 2 299.327 -2.152 20 0 CAADLO O=C(C[C@H]1CC(=O)NC1=O)NC[C@H]1C[N@@H+](CCO)CCO1 ZINC001319331732 884325001 /nfs/dbraw/zinc/32/50/01/884325001.db2.gz HQLURBHYDHYEON-UWVGGRQHSA-N 1 2 299.327 -2.152 20 0 CAADLO C[C@@H](C(=O)NC(N)=O)[N@H+]1CC[C@@H](S(N)(=O)=O)C1 ZINC001319507157 884335119 /nfs/dbraw/zinc/33/51/19/884335119.db2.gz ZEANYMWZZHQDGJ-NTSWFWBYSA-N 1 2 264.307 -2.067 20 0 CAADLO C[C@@H](C(=O)NC(N)=O)[N@@H+]1CC[C@@H](S(N)(=O)=O)C1 ZINC001319507157 884335101 /nfs/dbraw/zinc/33/51/01/884335101.db2.gz ZEANYMWZZHQDGJ-NTSWFWBYSA-N 1 2 264.307 -2.067 20 0 CAADLO C[C@H]1CO[C@@H](CO)C[N@@H+]1CCCS(N)(=O)=O ZINC001319765183 884353141 /nfs/dbraw/zinc/35/31/41/884353141.db2.gz AHOWMWMPVMXELT-DTWKUNHWSA-N 1 2 252.336 -1.253 20 0 CAADLO C[C@H](C(=O)NC(N)=O)[N@@H+]1CC[C@H](S(N)(=O)=O)C1 ZINC001319507170 884335658 /nfs/dbraw/zinc/33/56/58/884335658.db2.gz ZEANYMWZZHQDGJ-RITPCOANSA-N 1 2 264.307 -2.067 20 0 CAADLO C[C@H](C(=O)NC(N)=O)[N@H+]1CC[C@H](S(N)(=O)=O)C1 ZINC001319507170 884335674 /nfs/dbraw/zinc/33/56/74/884335674.db2.gz ZEANYMWZZHQDGJ-RITPCOANSA-N 1 2 264.307 -2.067 20 0 CAADLO C[C@@H](C(=O)NC(N)=O)[N@@H+]1CC[C@H](S(N)(=O)=O)C1 ZINC001319507171 884335888 /nfs/dbraw/zinc/33/58/88/884335888.db2.gz ZEANYMWZZHQDGJ-WDSKDSINSA-N 1 2 264.307 -2.067 20 0 CAADLO C[C@@H](C(=O)NC(N)=O)[N@H+]1CC[C@H](S(N)(=O)=O)C1 ZINC001319507171 884335908 /nfs/dbraw/zinc/33/59/08/884335908.db2.gz ZEANYMWZZHQDGJ-WDSKDSINSA-N 1 2 264.307 -2.067 20 0 CAADLO C[C@H]1CO[C@@H](CO)C[N@H+]1CCCS(N)(=O)=O ZINC001319765183 884353153 /nfs/dbraw/zinc/35/31/53/884353153.db2.gz AHOWMWMPVMXELT-DTWKUNHWSA-N 1 2 252.336 -1.253 20 0 CAADLO C[C@@H]1CO[C@H](CO)C[N@@H+]1CCCS(N)(=O)=O ZINC001319765178 884353652 /nfs/dbraw/zinc/35/36/52/884353652.db2.gz AHOWMWMPVMXELT-BDAKNGLRSA-N 1 2 252.336 -1.253 20 0 CAADLO C[C@@H]1CO[C@H](CO)C[N@H+]1CCCS(N)(=O)=O ZINC001319765178 884353668 /nfs/dbraw/zinc/35/36/68/884353668.db2.gz AHOWMWMPVMXELT-BDAKNGLRSA-N 1 2 252.336 -1.253 20 0 CAADLO NC(=O)NCCCCC(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC001319567353 884338304 /nfs/dbraw/zinc/33/83/04/884338304.db2.gz KEPBAJQSNGMZTR-LLVKDONJSA-N 1 2 283.376 -1.059 20 0 CAADLO NC(=O)Cn1cc(C(=O)OCCn2cc[nH+]c2)nn1 ZINC001319759817 884349080 /nfs/dbraw/zinc/34/90/80/884349080.db2.gz BHQXFFKWNZPFSH-UHFFFAOYSA-N 1 2 264.245 -1.183 20 0 CAADLO Cn1cc(NC(=O)C(=O)N2CC[NH+](CCO)CC2)cn1 ZINC001319821878 884351551 /nfs/dbraw/zinc/35/15/51/884351551.db2.gz ZWMQOXPGFFPERF-UHFFFAOYSA-N 1 2 281.316 -1.505 20 0 CAADLO C[C@@H]1CO[C@@H](CO)C[N@@H+]1CCCS(N)(=O)=O ZINC001319765186 884353275 /nfs/dbraw/zinc/35/32/75/884353275.db2.gz AHOWMWMPVMXELT-RKDXNWHRSA-N 1 2 252.336 -1.253 20 0 CAADLO C[C@@H]1CO[C@@H](CO)C[N@H+]1CCCS(N)(=O)=O ZINC001319765186 884353290 /nfs/dbraw/zinc/35/32/90/884353290.db2.gz AHOWMWMPVMXELT-RKDXNWHRSA-N 1 2 252.336 -1.253 20 0 CAADLO CN1CCC[C@H]([NH+]2CCN(CC(N)=O)CC2)C1=O ZINC001319902581 884358515 /nfs/dbraw/zinc/35/85/15/884358515.db2.gz CCBCMSGLRODXSR-JTQLQIEISA-N 1 2 254.334 -1.290 20 0 CAADLO CC(C)[C@H](CNC(=O)C(N)=O)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001319942597 884363912 /nfs/dbraw/zinc/36/39/12/884363912.db2.gz FAVQQMSNGGOCFP-ZETCQYMHSA-N 1 2 284.320 -2.176 20 0 CAADLO CC(C)NC(=O)C[N@H+](C)CCN(C)C(=O)CC(N)=O ZINC001319986080 884367634 /nfs/dbraw/zinc/36/76/34/884367634.db2.gz MMFVLNWXWRRJRU-UHFFFAOYSA-N 1 2 272.349 -1.223 20 0 CAADLO CC(C)NC(=O)C[N@@H+](C)CCN(C)C(=O)CC(N)=O ZINC001319986080 884367654 /nfs/dbraw/zinc/36/76/54/884367654.db2.gz MMFVLNWXWRRJRU-UHFFFAOYSA-N 1 2 272.349 -1.223 20 0 CAADLO CN(CC[N@H+](C)CC(N)=O)C(=O)Cc1cc[nH]n1 ZINC001319984770 884367897 /nfs/dbraw/zinc/36/78/97/884367897.db2.gz BGMUUSLPOJVSGV-UHFFFAOYSA-N 1 2 253.306 -1.172 20 0 CAADLO CN(CC[N@@H+](C)CC(N)=O)C(=O)Cc1cc[nH]n1 ZINC001319984770 884367914 /nfs/dbraw/zinc/36/79/14/884367914.db2.gz BGMUUSLPOJVSGV-UHFFFAOYSA-N 1 2 253.306 -1.172 20 0 CAADLO CN(CC[N@H+](C)CC(N)=O)C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001320033862 884369847 /nfs/dbraw/zinc/36/98/47/884369847.db2.gz GNPZSOOQCLMOPI-JZYVYDRUSA-N 1 2 255.318 -1.246 20 0 CAADLO CN(CC[N@@H+](C)CC(N)=O)C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001320033862 884369863 /nfs/dbraw/zinc/36/98/63/884369863.db2.gz GNPZSOOQCLMOPI-JZYVYDRUSA-N 1 2 255.318 -1.246 20 0 CAADLO CN(CC[N@H+](C)CC(=O)N1CCC1)C(=O)C(N)=O ZINC001320041631 884370621 /nfs/dbraw/zinc/37/06/21/884370621.db2.gz DWFDHSUVDNAGIW-UHFFFAOYSA-N 1 2 256.306 -1.906 20 0 CAADLO CN(CC[N@@H+](C)CC(=O)N1CCC1)C(=O)C(N)=O ZINC001320041631 884370641 /nfs/dbraw/zinc/37/06/41/884370641.db2.gz DWFDHSUVDNAGIW-UHFFFAOYSA-N 1 2 256.306 -1.906 20 0 CAADLO CN(CC[N@H+](C)CC(N)=O)C(=O)c1ccncn1 ZINC001320061725 884372673 /nfs/dbraw/zinc/37/26/73/884372673.db2.gz NIBFTMVESUURIF-UHFFFAOYSA-N 1 2 251.290 -1.034 20 0 CAADLO CN(CC[N@@H+](C)CC(N)=O)C(=O)c1ccncn1 ZINC001320061725 884372686 /nfs/dbraw/zinc/37/26/86/884372686.db2.gz NIBFTMVESUURIF-UHFFFAOYSA-N 1 2 251.290 -1.034 20 0 CAADLO CN(C)S(=O)(=O)CC(=O)NCCc1[nH]cc[nH+]1 ZINC001320186223 884380040 /nfs/dbraw/zinc/38/00/40/884380040.db2.gz ICEXCNOWNZRUCR-UHFFFAOYSA-N 1 2 260.319 -1.040 20 0 CAADLO C[C@H]([NH2+]C[C@H](O)CNC(=O)CC(N)=O)c1csnn1 ZINC001320204290 884387511 /nfs/dbraw/zinc/38/75/11/884387511.db2.gz XJJSAQZZVIVWGI-BQBZGAKWSA-N 1 2 287.345 -1.459 20 0 CAADLO C[C@H]1C[N@H+](CCNC(=O)C[C@@H]2NC(=O)NC2=O)CCO1 ZINC001320359750 884417261 /nfs/dbraw/zinc/41/72/61/884417261.db2.gz LVGLSSBXVNZPNZ-IUCAKERBSA-N 1 2 284.316 -1.579 20 0 CAADLO C[C@H]1C[N@@H+](CCNC(=O)C[C@@H]2NC(=O)NC2=O)CCO1 ZINC001320359750 884417268 /nfs/dbraw/zinc/41/72/68/884417268.db2.gz LVGLSSBXVNZPNZ-IUCAKERBSA-N 1 2 284.316 -1.579 20 0 CAADLO O=C(N1CC[NH+](CCO)CC1)C1(O)CCOCC1 ZINC001320373316 884418652 /nfs/dbraw/zinc/41/86/52/884418652.db2.gz BCVUUPALKATVFC-UHFFFAOYSA-N 1 2 258.318 -1.336 20 0 CAADLO CN(Cc1cnnn1C)C[C@@H](O)C[NH+]1CCOCC1 ZINC001320509776 884426219 /nfs/dbraw/zinc/42/62/19/884426219.db2.gz RSSZURGKPSTSJP-GFCCVEGCSA-N 1 2 269.349 -1.060 20 0 CAADLO Cn1nncc1C[N@H+](C)C[C@@H](O)CN1CCOCC1 ZINC001320509776 884426231 /nfs/dbraw/zinc/42/62/31/884426231.db2.gz RSSZURGKPSTSJP-GFCCVEGCSA-N 1 2 269.349 -1.060 20 0 CAADLO Cn1nncc1C[N@@H+](C)C[C@@H](O)CN1CCOCC1 ZINC001320509776 884426243 /nfs/dbraw/zinc/42/62/43/884426243.db2.gz RSSZURGKPSTSJP-GFCCVEGCSA-N 1 2 269.349 -1.060 20 0 CAADLO C[C@@H](CC[NH2+]Cc1nc(=O)n(C)[nH]1)NC(=O)c1nnc[nH]1 ZINC001320581315 884432031 /nfs/dbraw/zinc/43/20/31/884432031.db2.gz IOLPNMXOBFNXOZ-ZETCQYMHSA-N 1 2 294.319 -1.475 20 0 CAADLO C[C@@H](CC[NH2+]Cc1nc(=O)n(C)[nH]1)NC(=O)c1ncn[nH]1 ZINC001320581315 884432039 /nfs/dbraw/zinc/43/20/39/884432039.db2.gz IOLPNMXOBFNXOZ-ZETCQYMHSA-N 1 2 294.319 -1.475 20 0 CAADLO C[C@@H](CC[NH2+]Cc1nc(=O)n(C)[nH]1)NC(=O)c1nc[nH]n1 ZINC001320581315 884432048 /nfs/dbraw/zinc/43/20/48/884432048.db2.gz IOLPNMXOBFNXOZ-ZETCQYMHSA-N 1 2 294.319 -1.475 20 0 CAADLO O=C1O[C@@H](C[N@@H+]2CCN3C(=O)C(=O)NC[C@@H]3C2)CC12CC2 ZINC001320772975 884445389 /nfs/dbraw/zinc/44/53/89/884445389.db2.gz MMAJHCOSSUHLBK-NXEZZACHSA-N 1 2 293.323 -1.275 20 0 CAADLO O=C1O[C@@H](C[N@H+]2CCN3C(=O)C(=O)NC[C@@H]3C2)CC12CC2 ZINC001320772975 884445396 /nfs/dbraw/zinc/44/53/96/884445396.db2.gz MMAJHCOSSUHLBK-NXEZZACHSA-N 1 2 293.323 -1.275 20 0 CAADLO O=C1O[C@H](C[N@@H+]2CCN3C(=O)C(=O)NC[C@@H]3C2)CC12CC2 ZINC001320772978 884445641 /nfs/dbraw/zinc/44/56/41/884445641.db2.gz MMAJHCOSSUHLBK-ZJUUUORDSA-N 1 2 293.323 -1.275 20 0 CAADLO O=C1O[C@H](C[N@H+]2CCN3C(=O)C(=O)NC[C@@H]3C2)CC12CC2 ZINC001320772978 884445647 /nfs/dbraw/zinc/44/56/47/884445647.db2.gz MMAJHCOSSUHLBK-ZJUUUORDSA-N 1 2 293.323 -1.275 20 0 CAADLO CNC(=O)[C@H](CO)Nc1[nH+]cnc2c1cnn2C ZINC001320783524 884448011 /nfs/dbraw/zinc/44/80/11/884448011.db2.gz OXDVXRHZCYTGRP-ZETCQYMHSA-N 1 2 250.262 -1.118 20 0 CAADLO COC(=O)[C@@H]1C[C@H](O)C[N@@H+]1CCCN1C(=O)CNC1=O ZINC001320783964 884448852 /nfs/dbraw/zinc/44/88/52/884448852.db2.gz YGANPCPVHHJTSP-IUCAKERBSA-N 1 2 285.300 -1.464 20 0 CAADLO COC(=O)[C@@H]1C[C@H](O)C[N@H+]1CCCN1C(=O)CNC1=O ZINC001320783964 884448864 /nfs/dbraw/zinc/44/88/64/884448864.db2.gz YGANPCPVHHJTSP-IUCAKERBSA-N 1 2 285.300 -1.464 20 0 CAADLO CCCCn1nnnc1C[NH2+]CCN(CC)C(=O)C(N)=O ZINC001320833002 884451189 /nfs/dbraw/zinc/45/11/89/884451189.db2.gz XLEUIIVWGBIPKB-UHFFFAOYSA-N 1 2 297.363 -1.103 20 0 CAADLO CC(=O)NCC(=O)NC/C=C/C[NH2+][C@@H](C)c1nnnn1C ZINC001320956105 884457528 /nfs/dbraw/zinc/45/75/28/884457528.db2.gz JBLIPMKFDDAYEV-MOVJSRMASA-N 1 2 295.347 -1.331 20 0 CAADLO CC(=O)NCC(=O)NC/C=C\C[NH2+][C@H](C)c1nnnn1C ZINC001320956108 884457938 /nfs/dbraw/zinc/45/79/38/884457938.db2.gz JBLIPMKFDDAYEV-XRVBUDJMSA-N 1 2 295.347 -1.331 20 0 CAADLO CC(=O)NCC(=O)NC/C=C/C[NH2+][C@H](C)c1nnnn1C ZINC001320956107 884458440 /nfs/dbraw/zinc/45/84/40/884458440.db2.gz JBLIPMKFDDAYEV-XNPJLODASA-N 1 2 295.347 -1.331 20 0 CAADLO CC(=O)NCC(=O)NC/C=C\C[NH2+][C@@H](C)c1nnnn1C ZINC001320956106 884459199 /nfs/dbraw/zinc/45/91/99/884459199.db2.gz JBLIPMKFDDAYEV-WBSSQXGSSA-N 1 2 295.347 -1.331 20 0 CAADLO Cn1ncc(C[NH2+]C/C=C\CNC(=O)[C@@H]2COCCO2)n1 ZINC001320980714 884459812 /nfs/dbraw/zinc/45/98/12/884459812.db2.gz VMGVXUIXAPYWLB-DLGQBQFBSA-N 1 2 295.343 -1.008 20 0 CAADLO Cc1[nH+]c[nH]c1CC(=O)NCCNS(C)(=O)=O ZINC001321006899 884460949 /nfs/dbraw/zinc/46/09/49/884460949.db2.gz ZLACFLRCMOTADQ-UHFFFAOYSA-N 1 2 260.319 -1.074 20 0 CAADLO CNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@]2(C1)NC(=O)NC2=O ZINC001320994584 884461486 /nfs/dbraw/zinc/46/14/86/884461486.db2.gz RJJUZDFKZHEDBQ-KRTXAFLBSA-N 1 2 297.315 -1.496 20 0 CAADLO CNC(=O)NC(=O)[C@@H](C)[N@H+]1CCC[C@@]2(C1)NC(=O)NC2=O ZINC001320994584 884461500 /nfs/dbraw/zinc/46/15/00/884461500.db2.gz RJJUZDFKZHEDBQ-KRTXAFLBSA-N 1 2 297.315 -1.496 20 0 CAADLO CNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@@]2(C1)NC(=O)NC2=O ZINC001320994590 884462061 /nfs/dbraw/zinc/46/20/61/884462061.db2.gz RJJUZDFKZHEDBQ-MADCSZMMSA-N 1 2 297.315 -1.496 20 0 CAADLO CNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@@]2(C1)NC(=O)NC2=O ZINC001320994590 884462066 /nfs/dbraw/zinc/46/20/66/884462066.db2.gz RJJUZDFKZHEDBQ-MADCSZMMSA-N 1 2 297.315 -1.496 20 0 CAADLO C[C@H](NC(N)=O)C(=O)NC/C=C\C[NH2+]Cc1ncnn1C ZINC001321040040 884464574 /nfs/dbraw/zinc/46/45/74/884464574.db2.gz BASHWRVWWXALBC-TYRPZCRBSA-N 1 2 295.347 -1.366 20 0 CAADLO Cn1c[nH+]cc1CCC(=O)N[C@H]1CN(C)NC1=O ZINC001321206400 884476829 /nfs/dbraw/zinc/47/68/29/884476829.db2.gz BXZUNZOHXFJSKC-VIFPVBQESA-N 1 2 251.290 -1.186 20 0 CAADLO O=C(NCC=CC[NH2+]Cc1csnn1)[C@H]1CNC(=O)N1 ZINC001321224394 884479663 /nfs/dbraw/zinc/47/96/63/884479663.db2.gz ZKPMIQAKSOKDNN-GPYPMJJRSA-N 1 2 296.356 -1.019 20 0 CAADLO COCCNC(=O)CN1CC[NH+](CC(OC)OC)CC1 ZINC001321228814 884481209 /nfs/dbraw/zinc/48/12/09/884481209.db2.gz GRZBBTMKISEJEW-UHFFFAOYSA-N 1 2 289.376 -1.015 20 0 CAADLO NC(=O)C(=O)NC/C=C/C[NH2+]Cc1ncnn1CCF ZINC001321221475 884481752 /nfs/dbraw/zinc/48/17/52/884481752.db2.gz HCBCDOLQBCGIFH-OWOJBTEDSA-N 1 2 284.295 -1.505 20 0 CAADLO Cn1nnnc1C[NH2+]C/C=C\CNC(=O)Cc1ncc[nH]1 ZINC001321306036 884486837 /nfs/dbraw/zinc/48/68/37/884486837.db2.gz FWKNGSDTRCKOJB-IHWYPQMZSA-N 1 2 290.331 -1.062 20 0 CAADLO Cn1nnc(CNC/C=C/CNC(=O)Cc2[nH]cc[nH+]2)n1 ZINC001321306154 884487696 /nfs/dbraw/zinc/48/76/96/884487696.db2.gz GHIMNEDGEUJYCC-NSCUHMNNSA-N 1 2 290.331 -1.062 20 0 CAADLO C[C@@H]1C[N@H+](CCNC(=O)CC[C@H]2NC(=O)NC2=O)CCO1 ZINC001321372397 884489576 /nfs/dbraw/zinc/48/95/76/884489576.db2.gz NVJUZZLDLZMXTM-NXEZZACHSA-N 1 2 298.343 -1.189 20 0 CAADLO C[C@@H]1C[N@@H+](CCNC(=O)CC[C@H]2NC(=O)NC2=O)CCO1 ZINC001321372397 884489579 /nfs/dbraw/zinc/48/95/79/884489579.db2.gz NVJUZZLDLZMXTM-NXEZZACHSA-N 1 2 298.343 -1.189 20 0 CAADLO CN(CCOCCO)C(=O)C(=O)NCCCn1cc[nH+]c1 ZINC001321367587 884490209 /nfs/dbraw/zinc/49/02/09/884490209.db2.gz NLHKFWGCBTWVJU-UHFFFAOYSA-N 1 2 298.343 -1.143 20 0 CAADLO C[C@@H]1C[N@H+](CCNC(=O)CC[C@@H]2NC(=O)NC2=O)CCO1 ZINC001321372403 884490263 /nfs/dbraw/zinc/49/02/63/884490263.db2.gz NVJUZZLDLZMXTM-ZJUUUORDSA-N 1 2 298.343 -1.189 20 0 CAADLO C[C@@H]1C[N@@H+](CCNC(=O)CC[C@@H]2NC(=O)NC2=O)CCO1 ZINC001321372403 884490274 /nfs/dbraw/zinc/49/02/74/884490274.db2.gz NVJUZZLDLZMXTM-ZJUUUORDSA-N 1 2 298.343 -1.189 20 0 CAADLO Cn1nnnc1C[NH2+]C/C=C/CNC(=O)CCNC(N)=O ZINC001321387249 884491699 /nfs/dbraw/zinc/49/16/99/884491699.db2.gz CWEHVJXUKZZCKJ-NSCUHMNNSA-N 1 2 296.335 -1.970 20 0 CAADLO CN1C[C@@H](NC(=O)C(=O)NCCn2cc[nH+]c2)CC1=O ZINC001321404758 884492291 /nfs/dbraw/zinc/49/22/91/884492291.db2.gz WGDPRXBEOFBHAF-VIFPVBQESA-N 1 2 279.300 -1.654 20 0 CAADLO COCCOC1CN(C(=O)C(=O)NCCn2cc[nH+]c2)C1 ZINC001321405105 884493093 /nfs/dbraw/zinc/49/30/93/884493093.db2.gz WPDKVQNFQIOHCG-UHFFFAOYSA-N 1 2 296.327 -1.127 20 0 CAADLO COC[C@@H](CNC(=O)C(=O)NCCn1cc[nH+]c1)OC ZINC001321581495 884501951 /nfs/dbraw/zinc/50/19/51/884501951.db2.gz GDRNRWJFMKZYHJ-SNVBAGLBSA-N 1 2 284.316 -1.223 20 0 CAADLO C[C@H]1C(=O)N(C)CCN1C(=O)C(=O)NCCn1cc[nH+]c1 ZINC001321582511 884502341 /nfs/dbraw/zinc/50/23/41/884502341.db2.gz MQETYLRIROTTKR-JTQLQIEISA-N 1 2 293.327 -1.312 20 0 CAADLO C[C@H](C[S@](C)=O)NC(=O)C(=O)NCCn1cc[nH+]c1 ZINC001321581569 884502968 /nfs/dbraw/zinc/50/29/68/884502968.db2.gz HIOARPDIIKWHGY-HOGDKLEQSA-N 1 2 286.357 -1.118 20 0 CAADLO C[C@@H](C[S@](C)=O)NC(=O)C(=O)NCCn1cc[nH+]c1 ZINC001321581570 884503384 /nfs/dbraw/zinc/50/33/84/884503384.db2.gz HIOARPDIIKWHGY-UGZDLDLSSA-N 1 2 286.357 -1.118 20 0 CAADLO C[C@@H]1C(=O)N(C)CCN1C(=O)C(=O)NCCn1cc[nH+]c1 ZINC001321582512 884504089 /nfs/dbraw/zinc/50/40/89/884504089.db2.gz MQETYLRIROTTKR-SNVBAGLBSA-N 1 2 293.327 -1.312 20 0 CAADLO COC[C@H](CNC(=O)C(=O)NCCn1cc[nH+]c1)OC ZINC001321581494 884504336 /nfs/dbraw/zinc/50/43/36/884504336.db2.gz GDRNRWJFMKZYHJ-JTQLQIEISA-N 1 2 284.316 -1.223 20 0 CAADLO C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)NC[C@@H]1COCCO1 ZINC001321630512 884505202 /nfs/dbraw/zinc/50/52/02/884505202.db2.gz HTAGHDQMLUGGQS-GHMZBOCLSA-N 1 2 296.327 -1.081 20 0 CAADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)NC[C@H]1COCCO1 ZINC001321630514 884505674 /nfs/dbraw/zinc/50/56/74/884505674.db2.gz HTAGHDQMLUGGQS-QWRGUYRKSA-N 1 2 296.327 -1.081 20 0 CAADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)N[C@@H]1CCN(C)C1=O ZINC001321632100 884506608 /nfs/dbraw/zinc/50/66/08/884506608.db2.gz YBVKYCFHCBBPSK-VHSXEESVSA-N 1 2 293.327 -1.265 20 0 CAADLO C[C@H](C[NH2+][C@@H](C)c1nnnn1C1CC1)NC(=O)C(N)=O ZINC001321641079 884507391 /nfs/dbraw/zinc/50/73/91/884507391.db2.gz MVSMBDUJGMGUGU-RQJHMYQMSA-N 1 2 281.320 -1.351 20 0 CAADLO CN(C)C(=O)CCNC(=O)C(=O)NCCCn1cc[nH+]c1 ZINC001321678770 884509319 /nfs/dbraw/zinc/50/93/19/884509319.db2.gz GKXNSBVUZVBOFL-UHFFFAOYSA-N 1 2 295.343 -1.016 20 0 CAADLO CN1CC[C@@H](NC(=O)C(=O)NCCCn2cc[nH+]c2)C1=O ZINC001321859951 884524503 /nfs/dbraw/zinc/52/45/03/884524503.db2.gz BZWVMPUAAJBKQV-SNVBAGLBSA-N 1 2 293.327 -1.264 20 0 CAADLO C[C@H](C[N@H+](C)[C@H](C)C(N)=O)NC(=O)c1cn[nH]n1 ZINC001322193179 884540713 /nfs/dbraw/zinc/54/07/13/884540713.db2.gz KDOAAHUNRRLZNO-RNFRBKRXSA-N 1 2 254.294 -1.271 20 0 CAADLO C[C@H](C[N@@H+](C)[C@H](C)C(N)=O)NC(=O)c1cn[nH]n1 ZINC001322193179 884540726 /nfs/dbraw/zinc/54/07/26/884540726.db2.gz KDOAAHUNRRLZNO-RNFRBKRXSA-N 1 2 254.294 -1.271 20 0 CAADLO C[C@H](C[N@H+](C)[C@H](C)C(N)=O)NC(=O)c1cnn[nH]1 ZINC001322193179 884540735 /nfs/dbraw/zinc/54/07/35/884540735.db2.gz KDOAAHUNRRLZNO-RNFRBKRXSA-N 1 2 254.294 -1.271 20 0 CAADLO C[C@H](C[N@@H+](C)[C@H](C)C(N)=O)NC(=O)c1cnn[nH]1 ZINC001322193179 884540748 /nfs/dbraw/zinc/54/07/48/884540748.db2.gz KDOAAHUNRRLZNO-RNFRBKRXSA-N 1 2 254.294 -1.271 20 0 CAADLO C[C@H](C(N)=O)[N@@H+](C)C[C@H](C)NC(=O)c1cn[nH]n1 ZINC001322193178 884542307 /nfs/dbraw/zinc/54/23/07/884542307.db2.gz KDOAAHUNRRLZNO-NKWVEPMBSA-N 1 2 254.294 -1.271 20 0 CAADLO C[C@H](C(N)=O)[N@H+](C)C[C@H](C)NC(=O)c1cn[nH]n1 ZINC001322193178 884542320 /nfs/dbraw/zinc/54/23/20/884542320.db2.gz KDOAAHUNRRLZNO-NKWVEPMBSA-N 1 2 254.294 -1.271 20 0 CAADLO C[C@H](C(N)=O)[N@@H+](C)C[C@H](C)NC(=O)c1cnn[nH]1 ZINC001322193178 884542330 /nfs/dbraw/zinc/54/23/30/884542330.db2.gz KDOAAHUNRRLZNO-NKWVEPMBSA-N 1 2 254.294 -1.271 20 0 CAADLO C[C@H](C(N)=O)[N@H+](C)C[C@H](C)NC(=O)c1cnn[nH]1 ZINC001322193178 884542337 /nfs/dbraw/zinc/54/23/37/884542337.db2.gz KDOAAHUNRRLZNO-NKWVEPMBSA-N 1 2 254.294 -1.271 20 0 CAADLO C[C@@H](C[N@H+](C)[C@@H]1CCNC1=O)NC(=O)c1cn[nH]n1 ZINC001322192246 884543117 /nfs/dbraw/zinc/54/31/17/884543117.db2.gz GGTUVEVCRBDLTR-IONNQARKSA-N 1 2 266.305 -1.257 20 0 CAADLO C[C@@H](C[N@@H+](C)[C@@H]1CCNC1=O)NC(=O)c1cn[nH]n1 ZINC001322192246 884543131 /nfs/dbraw/zinc/54/31/31/884543131.db2.gz GGTUVEVCRBDLTR-IONNQARKSA-N 1 2 266.305 -1.257 20 0 CAADLO C[C@@H](C[N@H+](C)[C@@H]1CCNC1=O)NC(=O)c1cnn[nH]1 ZINC001322192246 884543142 /nfs/dbraw/zinc/54/31/42/884543142.db2.gz GGTUVEVCRBDLTR-IONNQARKSA-N 1 2 266.305 -1.257 20 0 CAADLO C[C@@H](C[N@@H+](C)[C@@H]1CCNC1=O)NC(=O)c1cnn[nH]1 ZINC001322192246 884543154 /nfs/dbraw/zinc/54/31/54/884543154.db2.gz GGTUVEVCRBDLTR-IONNQARKSA-N 1 2 266.305 -1.257 20 0 CAADLO C[C@H](C[N@H+](C)[C@H](C)C(N)=O)NC(=O)c1nc[nH]n1 ZINC001322269388 884547841 /nfs/dbraw/zinc/54/78/41/884547841.db2.gz NKKLQTFAIIOGDY-RNFRBKRXSA-N 1 2 254.294 -1.271 20 0 CAADLO C[C@H](C[N@@H+](C)[C@H](C)C(N)=O)NC(=O)c1nc[nH]n1 ZINC001322269388 884547850 /nfs/dbraw/zinc/54/78/50/884547850.db2.gz NKKLQTFAIIOGDY-RNFRBKRXSA-N 1 2 254.294 -1.271 20 0 CAADLO C[C@H](C[N@H+](C)[C@H](C)C(N)=O)NC(=O)c1nnc[nH]1 ZINC001322269388 884547811 /nfs/dbraw/zinc/54/78/11/884547811.db2.gz NKKLQTFAIIOGDY-RNFRBKRXSA-N 1 2 254.294 -1.271 20 0 CAADLO C[C@H](C[N@@H+](C)[C@H](C)C(N)=O)NC(=O)c1nnc[nH]1 ZINC001322269388 884547817 /nfs/dbraw/zinc/54/78/17/884547817.db2.gz NKKLQTFAIIOGDY-RNFRBKRXSA-N 1 2 254.294 -1.271 20 0 CAADLO C[C@H](C[N@H+](C)[C@H](C)C(N)=O)NC(=O)c1ncn[nH]1 ZINC001322269388 884547825 /nfs/dbraw/zinc/54/78/25/884547825.db2.gz NKKLQTFAIIOGDY-RNFRBKRXSA-N 1 2 254.294 -1.271 20 0 CAADLO C[C@H](C[N@@H+](C)[C@H](C)C(N)=O)NC(=O)c1ncn[nH]1 ZINC001322269388 884547831 /nfs/dbraw/zinc/54/78/31/884547831.db2.gz NKKLQTFAIIOGDY-RNFRBKRXSA-N 1 2 254.294 -1.271 20 0 CAADLO COCC(=O)N(C)CCC[NH2+]Cc1nnn(C)n1 ZINC001322372855 884549961 /nfs/dbraw/zinc/54/99/61/884549961.db2.gz UWDQWPOLSRDMFL-UHFFFAOYSA-N 1 2 256.310 -1.205 20 0 CAADLO C[S@](=O)CCNC(=O)C(=O)NCCCn1cc[nH+]c1 ZINC001322539420 884560682 /nfs/dbraw/zinc/56/06/82/884560682.db2.gz DWJAILDVANSFHN-IBGZPJMESA-N 1 2 286.357 -1.116 20 0 CAADLO NS(=O)(=O)[C@H]1CC[N@@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001322600597 884567589 /nfs/dbraw/zinc/56/75/89/884567589.db2.gz MJJNHIKNNKQIQU-BQBZGAKWSA-N 1 2 261.303 -1.846 20 0 CAADLO NS(=O)(=O)[C@H]1CC[N@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001322600597 884567598 /nfs/dbraw/zinc/56/75/98/884567598.db2.gz MJJNHIKNNKQIQU-BQBZGAKWSA-N 1 2 261.303 -1.846 20 0 CAADLO Cn1ncc2c1nc[nH+]c2NCC(=O)NCCO ZINC001322930092 884587882 /nfs/dbraw/zinc/58/78/82/884587882.db2.gz STVBYKQGATYPMZ-UHFFFAOYSA-N 1 2 250.262 -1.116 20 0 CAADLO Cn1cnc(CNC(=O)C(=O)N2CC[NH+](C3CC3)CC2)n1 ZINC001323010022 884593753 /nfs/dbraw/zinc/59/37/53/884593753.db2.gz FSSRUMNTSCBUEG-UHFFFAOYSA-N 1 2 292.343 -1.262 20 0 CAADLO NS(=O)(=O)CCNC(=O)NCCn1cc[nH+]c1 ZINC001323085833 884596169 /nfs/dbraw/zinc/59/61/69/884596169.db2.gz NPVDYQMQOKIEHV-UHFFFAOYSA-N 1 2 261.307 -1.529 20 0 CAADLO CC(C)(C)NC(=O)C[N@@H+]1CC[C@H]1CNC(=O)CC(N)=O ZINC001323208325 884600224 /nfs/dbraw/zinc/60/02/24/884600224.db2.gz BGSPWVZTLXWTBP-VIFPVBQESA-N 1 2 284.360 -1.033 20 0 CAADLO CC(C)(C)NC(=O)C[N@H+]1CC[C@H]1CNC(=O)CC(N)=O ZINC001323208325 884600233 /nfs/dbraw/zinc/60/02/33/884600233.db2.gz BGSPWVZTLXWTBP-VIFPVBQESA-N 1 2 284.360 -1.033 20 0 CAADLO CC(C)(C)NC(=O)C[N@H+]1CC[C@@H]1CNC(=O)CC(N)=O ZINC001323208324 884601176 /nfs/dbraw/zinc/60/11/76/884601176.db2.gz BGSPWVZTLXWTBP-SECBINFHSA-N 1 2 284.360 -1.033 20 0 CAADLO CC(C)(C)NC(=O)C[N@@H+]1CC[C@@H]1CNC(=O)CC(N)=O ZINC001323208324 884601167 /nfs/dbraw/zinc/60/11/67/884601167.db2.gz BGSPWVZTLXWTBP-SECBINFHSA-N 1 2 284.360 -1.033 20 0 CAADLO Cn1c[nH+]cc1CN1CC[C@H]1CNC(=O)CC(N)=O ZINC001323213642 884603801 /nfs/dbraw/zinc/60/38/01/884603801.db2.gz WYKHYLFVUIEAKJ-VIFPVBQESA-N 1 2 265.317 -1.014 20 0 CAADLO Cn1c[nH+]cc1CN1CC[C@@H]1CNC(=O)CC(N)=O ZINC001323213641 884603867 /nfs/dbraw/zinc/60/38/67/884603867.db2.gz WYKHYLFVUIEAKJ-SECBINFHSA-N 1 2 265.317 -1.014 20 0 CAADLO O=C(C[C@@H]1NC(=O)NC1=O)NC[C@H]1CC[N@H+]1CCF ZINC001323245225 884608179 /nfs/dbraw/zinc/60/81/79/884608179.db2.gz DEIVSTKBKHMJBM-SFYZADRCSA-N 1 2 272.280 -1.256 20 0 CAADLO O=C(C[C@@H]1NC(=O)NC1=O)NC[C@H]1CC[N@@H+]1CCF ZINC001323245225 884608185 /nfs/dbraw/zinc/60/81/85/884608185.db2.gz DEIVSTKBKHMJBM-SFYZADRCSA-N 1 2 272.280 -1.256 20 0 CAADLO CN1CC[C@H]([N@@H+]2CC[C@H]2CNC(=O)C2(C(N)=O)CC2)C1=O ZINC001323293054 884610520 /nfs/dbraw/zinc/61/05/20/884610520.db2.gz JZEDGHDUQCSTOS-UWVGGRQHSA-N 1 2 294.355 -1.327 20 0 CAADLO CN1CC[C@H]([N@H+]2CC[C@H]2CNC(=O)C2(C(N)=O)CC2)C1=O ZINC001323293054 884610524 /nfs/dbraw/zinc/61/05/24/884610524.db2.gz JZEDGHDUQCSTOS-UWVGGRQHSA-N 1 2 294.355 -1.327 20 0 CAADLO CC[C@@H](C(N)=O)[N@@H+]1CC[C@@H]1CNC(=O)C1(C(=O)NC)CC1 ZINC001323319951 884611460 /nfs/dbraw/zinc/61/14/60/884611460.db2.gz UJNMGPVWAVJLEO-ZJUUUORDSA-N 1 2 296.371 -1.033 20 0 CAADLO CC[C@@H](C(N)=O)[N@H+]1CC[C@@H]1CNC(=O)C1(C(=O)NC)CC1 ZINC001323319951 884611474 /nfs/dbraw/zinc/61/14/74/884611474.db2.gz UJNMGPVWAVJLEO-ZJUUUORDSA-N 1 2 296.371 -1.033 20 0 CAADLO CC[C@H](C(N)=O)[N@@H+]1CC[C@@H]1CNC(=O)C1(C(=O)NC)CC1 ZINC001323319948 884611846 /nfs/dbraw/zinc/61/18/46/884611846.db2.gz UJNMGPVWAVJLEO-NXEZZACHSA-N 1 2 296.371 -1.033 20 0 CAADLO CC[C@H](C(N)=O)[N@H+]1CC[C@@H]1CNC(=O)C1(C(=O)NC)CC1 ZINC001323319948 884611860 /nfs/dbraw/zinc/61/18/60/884611860.db2.gz UJNMGPVWAVJLEO-NXEZZACHSA-N 1 2 296.371 -1.033 20 0 CAADLO Cn1ncnc1C[NH2+]C1(CNC(=O)CC(N)=O)CC1 ZINC001323411089 884616808 /nfs/dbraw/zinc/61/68/08/884616808.db2.gz GWULOVPKOHYIJE-UHFFFAOYSA-N 1 2 266.305 -1.571 20 0 CAADLO C[C@@H](CS(C)(=O)=O)NC(=O)C(=O)N(C)CC[NH+](C)C ZINC001323485754 884621149 /nfs/dbraw/zinc/62/11/49/884621149.db2.gz YRXJPQCJOCJFKI-VIFPVBQESA-N 1 2 293.389 -1.444 20 0 CAADLO CN(C(=O)Cn1cnnn1)C1C[NH+](CCOCCO)C1 ZINC001323886498 884639229 /nfs/dbraw/zinc/63/92/29/884639229.db2.gz XYPYAEDZLHBDCI-UHFFFAOYSA-N 1 2 284.320 -2.175 20 0 CAADLO C[C@@H](C(=O)N(C)C1C[NH+](CCOCCO)C1)n1cncn1 ZINC001323910526 884640857 /nfs/dbraw/zinc/64/08/57/884640857.db2.gz UXOMCYXSGLVKBF-NSHDSACASA-N 1 2 297.359 -1.009 20 0 CAADLO CN(C(=O)c1cn(C)c(=O)[nH]1)C1C[NH+](CCOCCO)C1 ZINC001323977793 884643732 /nfs/dbraw/zinc/64/37/32/884643732.db2.gz CJZLESBDWWEOFT-UHFFFAOYSA-N 1 2 298.343 -1.109 20 0 CAADLO CN(C(=O)c1cnc[nH]c1=O)C1C[NH+](CCOCCO)C1 ZINC001323946803 884644123 /nfs/dbraw/zinc/64/41/23/884644123.db2.gz RERPJRDTESUZIT-UHFFFAOYSA-N 1 2 296.327 -1.053 20 0 CAADLO CN(CCNS(C)(=O)=O)C(=O)Cn1cc[nH+]c1 ZINC001324087583 884647522 /nfs/dbraw/zinc/64/75/22/884647522.db2.gz KSHYIKCOJWRTAF-UHFFFAOYSA-N 1 2 260.319 -1.109 20 0 CAADLO COCC[NH+]1CC(N(C)C(=O)CC[C@H]2NC(=O)NC2=O)C1 ZINC001324017805 884647841 /nfs/dbraw/zinc/64/78/41/884647841.db2.gz NWASFBUTOPEMNB-SNVBAGLBSA-N 1 2 298.343 -1.236 20 0 CAADLO O=C1NC[C@H]2CN(CC[NH+]3CCOCC3)CCN2C1=O ZINC001324007341 884648441 /nfs/dbraw/zinc/64/84/41/884648441.db2.gz IYWBDTUILIHLLK-NSHDSACASA-N 1 2 282.344 -2.039 20 0 CAADLO O=C1NC[C@H]2C[N@H+](CCN3CCOCC3)CCN2C1=O ZINC001324007341 884648454 /nfs/dbraw/zinc/64/84/54/884648454.db2.gz IYWBDTUILIHLLK-NSHDSACASA-N 1 2 282.344 -2.039 20 0 CAADLO O=C1NC[C@H]2C[N@@H+](CCN3CCOCC3)CCN2C1=O ZINC001324007341 884648464 /nfs/dbraw/zinc/64/84/64/884648464.db2.gz IYWBDTUILIHLLK-NSHDSACASA-N 1 2 282.344 -2.039 20 0 CAADLO CN1C(=O)C(=O)N(C[N@@H+]2CC[C@@H](n3cncn3)C2)C1=O ZINC001324194640 884654261 /nfs/dbraw/zinc/65/42/61/884654261.db2.gz LAYCWHVCCADSKX-MRVPVSSYSA-N 1 2 278.272 -1.097 20 0 CAADLO CN1C(=O)C(=O)N(C[N@H+]2CC[C@@H](n3cncn3)C2)C1=O ZINC001324194640 884654265 /nfs/dbraw/zinc/65/42/65/884654265.db2.gz LAYCWHVCCADSKX-MRVPVSSYSA-N 1 2 278.272 -1.097 20 0 CAADLO COC[C@@H](C(N)=O)[N@H+](C)CCCS(N)(=O)=O ZINC001324272779 884657042 /nfs/dbraw/zinc/65/70/42/884657042.db2.gz OMLUEPZVJVQUQR-ZETCQYMHSA-N 1 2 253.324 -1.903 20 0 CAADLO COC[C@@H](C(N)=O)[N@@H+](C)CCCS(N)(=O)=O ZINC001324272779 884657049 /nfs/dbraw/zinc/65/70/49/884657049.db2.gz OMLUEPZVJVQUQR-ZETCQYMHSA-N 1 2 253.324 -1.903 20 0 CAADLO Cn1cnn(CC(=O)N2CCn3c[nH+]cc3C2)c1=O ZINC001324677478 884687646 /nfs/dbraw/zinc/68/76/46/884687646.db2.gz QHLZRAMOANQGGU-UHFFFAOYSA-N 1 2 262.273 -1.179 20 0 CAADLO O=C1NC(=O)[C@@]2(CCC[N@@H+]([C@H]3CCOC3=O)C2)N1 ZINC001324884157 884693440 /nfs/dbraw/zinc/69/34/40/884693440.db2.gz LACXTGMCIBZTMV-CPCISQLKSA-N 1 2 253.258 -1.024 20 0 CAADLO O=C1NC(=O)[C@@]2(CCC[N@H+]([C@H]3CCOC3=O)C2)N1 ZINC001324884157 884693445 /nfs/dbraw/zinc/69/34/45/884693445.db2.gz LACXTGMCIBZTMV-CPCISQLKSA-N 1 2 253.258 -1.024 20 0 CAADLO COC(=O)[C@H]1CN(C(=O)C(=O)N2CC[NH+](C)CC2)CCO1 ZINC001324879958 884694327 /nfs/dbraw/zinc/69/43/27/884694327.db2.gz DFJDTRJOZIEVPO-SNVBAGLBSA-N 1 2 299.327 -1.839 20 0 CAADLO CN1C[C@H](C[N@H+](C)CCNS(C)(=O)=O)OC1=O ZINC001324926958 884698407 /nfs/dbraw/zinc/69/84/07/884698407.db2.gz CYWBLFXJSAXBON-QMMMGPOBSA-N 1 2 265.335 -1.082 20 0 CAADLO CN1C[C@H](C[N@@H+](C)CCNS(C)(=O)=O)OC1=O ZINC001324926958 884698419 /nfs/dbraw/zinc/69/84/19/884698419.db2.gz CYWBLFXJSAXBON-QMMMGPOBSA-N 1 2 265.335 -1.082 20 0 CAADLO NC(=O)CC(=O)NC[C@]1(O)CC[N@H+](Cc2ccon2)C1 ZINC001325086552 884705055 /nfs/dbraw/zinc/70/50/55/884705055.db2.gz QHLULTKSTGSHSZ-GFCCVEGCSA-N 1 2 282.300 -1.397 20 0 CAADLO NC(=O)CC(=O)NC[C@]1(O)CC[N@@H+](Cc2ccon2)C1 ZINC001325086552 884705066 /nfs/dbraw/zinc/70/50/66/884705066.db2.gz QHLULTKSTGSHSZ-GFCCVEGCSA-N 1 2 282.300 -1.397 20 0 CAADLO Cc1nnc([C@H](C)[N@@H+]2CC[C@](O)(CNC(=O)C(N)=O)C2)o1 ZINC001325126498 884708513 /nfs/dbraw/zinc/70/85/13/884708513.db2.gz PBKYQEDQQCPEAX-MADCSZMMSA-N 1 2 297.315 -1.523 20 0 CAADLO Cc1nnc([C@H](C)[N@H+]2CC[C@](O)(CNC(=O)C(N)=O)C2)o1 ZINC001325126498 884708527 /nfs/dbraw/zinc/70/85/27/884708527.db2.gz PBKYQEDQQCPEAX-MADCSZMMSA-N 1 2 297.315 -1.523 20 0 CAADLO Cc1nc(C[N@@H+]2CC[C@](O)(CNC(=O)C(N)=O)C2)cs1 ZINC001325125332 884710641 /nfs/dbraw/zinc/71/06/41/884710641.db2.gz CWYRJSQAACLGPH-LBPRGKRZSA-N 1 2 298.368 -1.010 20 0 CAADLO Cc1nc(C[N@H+]2CC[C@](O)(CNC(=O)C(N)=O)C2)cs1 ZINC001325125332 884710656 /nfs/dbraw/zinc/71/06/56/884710656.db2.gz CWYRJSQAACLGPH-LBPRGKRZSA-N 1 2 298.368 -1.010 20 0 CAADLO C[NH+]1CCN(C(=O)C(=O)N2C[C@@H](O)CC(F)(F)C2)CC1 ZINC001325132067 884715181 /nfs/dbraw/zinc/71/51/81/884715181.db2.gz NTIIZKMYQSZLAV-VIFPVBQESA-N 1 2 291.298 -1.011 20 0 CAADLO CCCOCC(=O)NCC1(O)C[NH+](C[C@@H](C)O)C1 ZINC001325184460 884717327 /nfs/dbraw/zinc/71/73/27/884717327.db2.gz IVMPDLAADIQQBI-SNVBAGLBSA-N 1 2 260.334 -1.043 20 0 CAADLO C[NH+]1CCN(C(=O)C(=O)N2C[C@H](O)CC(F)(F)C2)CC1 ZINC001325132059 884715892 /nfs/dbraw/zinc/71/58/92/884715892.db2.gz NTIIZKMYQSZLAV-SECBINFHSA-N 1 2 291.298 -1.011 20 0 CAADLO CCOCCC[NH+]1CC(O)(CNC(=O)CC(N)=O)C1 ZINC001325199626 884716965 /nfs/dbraw/zinc/71/69/65/884716965.db2.gz YEDTXFGRVQTHBE-UHFFFAOYSA-N 1 2 273.333 -1.549 20 0 CAADLO C[C@@H](O)C[NH+]1CC(O)(CNC(=O)c2cn(C)cn2)C1 ZINC001325201622 884718244 /nfs/dbraw/zinc/71/82/44/884718244.db2.gz QTAZIGIILKMOAW-SECBINFHSA-N 1 2 268.317 -1.423 20 0 CAADLO O=C(NCC1(O)C[NH+](CCCO)C1)c1cc[n+]([O-])cc1 ZINC001325174099 884718288 /nfs/dbraw/zinc/71/82/88/884718288.db2.gz KPZRDYOONBRHST-UHFFFAOYSA-N 1 2 281.312 -1.521 20 0 CAADLO CCCOCC(=O)NCC1(O)C[NH+](C[C@H](C)O)C1 ZINC001325184458 884718360 /nfs/dbraw/zinc/71/83/60/884718360.db2.gz IVMPDLAADIQQBI-JTQLQIEISA-N 1 2 260.334 -1.043 20 0 CAADLO COCCC[NH+]1CC(O)(CNC(=O)CCc2nnc[nH]2)C1 ZINC001325199635 884718756 /nfs/dbraw/zinc/71/87/56/884718756.db2.gz YFNRNVCFNBIGDC-UHFFFAOYSA-N 1 2 297.359 -1.063 20 0 CAADLO C[C@H](O)C[NH+]1CC(O)(CNC(=O)Cc2cc[nH]n2)C1 ZINC001325197869 884718958 /nfs/dbraw/zinc/71/89/58/884718958.db2.gz APGMCOROLJJVSU-VIFPVBQESA-N 1 2 268.317 -1.504 20 0 CAADLO CC[NH+]1CC(O)(CNC(=O)c2nccnc2N)C1 ZINC001325198552 884719216 /nfs/dbraw/zinc/71/92/16/884719216.db2.gz OQBICGPKNQCQHU-UHFFFAOYSA-N 1 2 251.290 -1.145 20 0 CAADLO C[C@@H](O)CCC[NH+]1CC(O)(CNC(=O)[C@@H]2CCNC2=O)C1 ZINC001325245382 884721435 /nfs/dbraw/zinc/72/14/35/884721435.db2.gz AVXGIPBOEFOLBF-GHMZBOCLSA-N 1 2 299.371 -1.554 20 0 CAADLO COCCC[NH+]1CC(O)(CNC(=O)c2cnnn2C)C1 ZINC001325207518 884721570 /nfs/dbraw/zinc/72/15/70/884721570.db2.gz KITKBBCEXOIRFY-UHFFFAOYSA-N 1 2 283.332 -1.372 20 0 CAADLO CNS(=O)(=O)NCC(=O)NCc1[nH]c[nH+]c1C ZINC001325291139 884725770 /nfs/dbraw/zinc/72/57/70/884725770.db2.gz PBIFBOOCNMAIQJ-UHFFFAOYSA-N 1 2 261.307 -1.612 20 0 CAADLO CN1C[C@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C(=O)N1 ZINC001325346458 884728720 /nfs/dbraw/zinc/72/87/20/884728720.db2.gz QAFKDTUHULEKAN-BDAKNGLRSA-N 1 2 263.301 -1.093 20 0 CAADLO O=C(CN1C(=O)CCC1=O)NCC1(O)C[NH+](CCCO)C1 ZINC001325307948 884729607 /nfs/dbraw/zinc/72/96/07/884729607.db2.gz JAULMCLKOKNPMC-UHFFFAOYSA-N 1 2 299.327 -2.319 20 0 CAADLO CC[NH+]1CC(O)(CNC(=O)c2ccc(=O)n(C)n2)C1 ZINC001325312064 884730087 /nfs/dbraw/zinc/73/00/87/884730087.db2.gz QELAXVIEYWZYCW-UHFFFAOYSA-N 1 2 266.301 -1.423 20 0 CAADLO O=C(NCCn1cc[nH+]c1)C(=O)N1CCn2ncnc2C1 ZINC001325385530 884731503 /nfs/dbraw/zinc/73/15/03/884731503.db2.gz HHQLZNRWSINNTJ-UHFFFAOYSA-N 1 2 289.299 -1.367 20 0 CAADLO CN1C[C@H](NC(=O)C(=O)NCCn2cc[nH+]c2)CCC1=O ZINC001325389392 884732684 /nfs/dbraw/zinc/73/26/84/884732684.db2.gz WNKSCGXFFHNZDG-SNVBAGLBSA-N 1 2 293.327 -1.264 20 0 CAADLO CO[C@@]1(CNC(=O)C(=O)NCCn2cc[nH+]c2)CCOC1 ZINC001325387428 884733800 /nfs/dbraw/zinc/73/38/00/884733800.db2.gz SNPZDSFUTYZHKH-CYBMUJFWSA-N 1 2 296.327 -1.079 20 0 CAADLO O=C(NCCn1cc[nH+]c1)C(=O)N1CC[C@@H](CO)C1 ZINC001325400295 884734021 /nfs/dbraw/zinc/73/40/21/884734021.db2.gz XBPYSNHLCBQGSY-SNVBAGLBSA-N 1 2 266.301 -1.160 20 0 CAADLO COC(=O)CNC(=O)C[N@@H+]1CC[C@H](n2cncn2)C1 ZINC001325834720 884744777 /nfs/dbraw/zinc/74/47/77/884744777.db2.gz LOYVKUHDJMNHKW-VIFPVBQESA-N 1 2 267.289 -1.186 20 0 CAADLO COC(=O)CNC(=O)C[N@H+]1CC[C@H](n2cncn2)C1 ZINC001325834720 884744789 /nfs/dbraw/zinc/74/47/89/884744789.db2.gz LOYVKUHDJMNHKW-VIFPVBQESA-N 1 2 267.289 -1.186 20 0 CAADLO Cn1c[nH+]cc1CN1CCC[C@](CO)(NC(=O)C(N)=O)C1 ZINC001325845532 884745160 /nfs/dbraw/zinc/74/51/60/884745160.db2.gz DAWIEJKOTUMZSP-ZDUSSCGKSA-N 1 2 295.343 -1.652 20 0 CAADLO Cn1c[nH+]cc1CN1CCC[C@@](CO)(NC(=O)C(N)=O)C1 ZINC001325845528 884745863 /nfs/dbraw/zinc/74/58/63/884745863.db2.gz DAWIEJKOTUMZSP-CYBMUJFWSA-N 1 2 295.343 -1.652 20 0 CAADLO COCC(=O)N(CCO)CC[NH2+]Cc1cnon1 ZINC001325955391 884751170 /nfs/dbraw/zinc/75/11/70/884751170.db2.gz JETYAZZLLWIFDZ-UHFFFAOYSA-N 1 2 258.278 -1.374 20 0 CAADLO Cn1cnnc1C[NH2+]CCN(CCO)C(=O)c1ccn[nH]1 ZINC001325984891 884754593 /nfs/dbraw/zinc/75/45/93/884754593.db2.gz YPQNQVONNTUSEB-UHFFFAOYSA-N 1 2 293.331 -1.238 20 0 CAADLO Cc1noc([C@H](C)[NH2+]CCN(CCO)C(=O)CC(N)=O)n1 ZINC001325997001 884756225 /nfs/dbraw/zinc/75/62/25/884756225.db2.gz AIZBASGUISONGD-QMMMGPOBSA-N 1 2 299.331 -1.275 20 0 CAADLO O=C(CN1CC[NH2+]CC1=O)NN1CC(=O)NC1=O ZINC001326064657 884764645 /nfs/dbraw/zinc/76/46/45/884764645.db2.gz ZRYZYJAKZXEPCJ-UHFFFAOYSA-N 1 2 255.234 -2.999 20 0 CAADLO NC(=O)C1=NO[C@@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001326072556 884767227 /nfs/dbraw/zinc/76/72/27/884767227.db2.gz XXLWTTKOWDJABG-SSDOTTSWSA-N 1 2 251.246 -1.371 20 0 CAADLO NC(=O)C(=O)N(CCO)CC[NH2+]Cc1nnc(C2CC2)[nH]1 ZINC001326086402 884768220 /nfs/dbraw/zinc/76/82/20/884768220.db2.gz RLFVXSLXNMATRW-UHFFFAOYSA-N 1 2 296.331 -1.922 20 0 CAADLO CN(C)C(=O)C[NH2+]CCN(CCO)C(=O)Cc1ncn[nH]1 ZINC001326123333 884769597 /nfs/dbraw/zinc/76/95/97/884769597.db2.gz ZENZJGGRICGTQK-UHFFFAOYSA-N 1 2 298.347 -2.154 20 0 CAADLO C[C@@H]([NH3+])[C@H](C)NC(=O)Cn1[nH]cc2c(=O)ncnc1-2 ZINC001326289335 884780517 /nfs/dbraw/zinc/78/05/17/884780517.db2.gz RLTWHYKXAABPKZ-RQJHMYQMSA-N 1 2 264.289 -1.077 20 0 CAADLO C[C@H](CC(=O)N(CC(N)=O)CC(N)=O)n1cc[nH+]c1 ZINC001326497388 884800272 /nfs/dbraw/zinc/80/02/72/884800272.db2.gz QZCWGMSHANWREI-MRVPVSSYSA-N 1 2 267.289 -1.367 20 0 CAADLO NC(=O)C[C@@H]1COCCN1C(=O)Cn1cc[nH+]c1 ZINC001326554358 884808307 /nfs/dbraw/zinc/80/83/07/884808307.db2.gz XYOSMVNKZUQWIN-SECBINFHSA-N 1 2 252.274 -1.014 20 0 CAADLO COC(=O)Cn1cc(C[NH2+][C@@H]2CCC(=O)N(C)C2=O)nn1 ZINC001326637817 884818832 /nfs/dbraw/zinc/81/88/32/884818832.db2.gz RMIPLRDDNYHXKK-SECBINFHSA-N 1 2 295.299 -1.312 20 0 CAADLO O=C(C[C@H]1COCC[NH2+]1)NCCCc1n[nH]c(=O)[nH]1 ZINC001326805121 884834931 /nfs/dbraw/zinc/83/49/31/884834931.db2.gz FGXSQMHLVZUUJX-QMMMGPOBSA-N 1 2 269.305 -1.062 20 0 CAADLO C[C@H](CC[NH3+])NC(=O)Cn1[nH]cc2c(=O)ncnc1-2 ZINC001327105134 884862835 /nfs/dbraw/zinc/86/28/35/884862835.db2.gz OYLMGHBWAGDZAO-SSDOTTSWSA-N 1 2 264.289 -1.075 20 0 CAADLO O=C1CNC(=O)N1CC[N@@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC001327131040 884864951 /nfs/dbraw/zinc/86/49/51/884864951.db2.gz QZVABPAMMYIYMS-DTORHVGOSA-N 1 2 255.274 -1.362 20 0 CAADLO O=C1CNC(=O)N1CC[N@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC001327131040 884864965 /nfs/dbraw/zinc/86/49/65/884864965.db2.gz QZVABPAMMYIYMS-DTORHVGOSA-N 1 2 255.274 -1.362 20 0 CAADLO CN(CCC[N@H+](C)Cc1cnn(C)n1)C(=O)CC(N)=O ZINC001327187701 884868995 /nfs/dbraw/zinc/86/89/95/884868995.db2.gz HRROQIXEXCZOTP-UHFFFAOYSA-N 1 2 282.348 -1.029 20 0 CAADLO CN(CCC[N@@H+](C)Cc1cnn(C)n1)C(=O)CC(N)=O ZINC001327187701 884869007 /nfs/dbraw/zinc/86/90/07/884869007.db2.gz HRROQIXEXCZOTP-UHFFFAOYSA-N 1 2 282.348 -1.029 20 0 CAADLO CC[NH+]1CCN(C(=O)C(=O)N(C)Cc2cn(C)nn2)CC1 ZINC001327243235 884873510 /nfs/dbraw/zinc/87/35/10/884873510.db2.gz MHOIZHUEGGQUFV-UHFFFAOYSA-N 1 2 294.359 -1.062 20 0 CAADLO C[N@H+](CCO)Cc1cn(CC(C)(CO)CO)nn1 ZINC001327264307 884875252 /nfs/dbraw/zinc/87/52/52/884875252.db2.gz LUJLCKAZJGHHQS-UHFFFAOYSA-N 1 2 258.322 -1.307 20 0 CAADLO C[N@@H+](CCO)Cc1cn(CC(C)(CO)CO)nn1 ZINC001327264307 884875269 /nfs/dbraw/zinc/87/52/69/884875269.db2.gz LUJLCKAZJGHHQS-UHFFFAOYSA-N 1 2 258.322 -1.307 20 0 CAADLO C[S@@](=O)CCNC(=O)C(=O)NCCn1cc[nH+]c1 ZINC001327313189 884878171 /nfs/dbraw/zinc/87/81/71/884878171.db2.gz OLAYHGIUZLFHAP-GOSISDBHSA-N 1 2 272.330 -1.506 20 0 CAADLO COCC[NH+]1CC2(C1)C[C@H](NC(=O)CC(N)=O)CO2 ZINC001327380601 884882885 /nfs/dbraw/zinc/88/28/85/884882885.db2.gz UFAPQXPQLRIMNN-VIFPVBQESA-N 1 2 271.317 -1.532 20 0 CAADLO C[C@H](O)C[NH+]1CC2(C1)C[C@H](NC(=O)C(C)(C)C(N)=O)CO2 ZINC001327397957 884883659 /nfs/dbraw/zinc/88/36/59/884883659.db2.gz YKBFBZMBDZWWMW-UWVGGRQHSA-N 1 2 299.371 -1.162 20 0 CAADLO COC[C@H](O)C[NH+]1CC2(C1)C[C@@H](NC(C)=O)CO2 ZINC001327373969 884884237 /nfs/dbraw/zinc/88/42/37/884884237.db2.gz XIOOIUQUELFBFG-GHMZBOCLSA-N 1 2 258.318 -1.027 20 0 CAADLO COCC[NH+]1CC2(C1)C[C@@H](NC(=O)C1(C(N)=O)CC1)CO2 ZINC001327408287 884886870 /nfs/dbraw/zinc/88/68/70/884886870.db2.gz SEXZULILRIGTME-SNVBAGLBSA-N 1 2 297.355 -1.142 20 0 CAADLO COCC[NH+]1CC2(C1)C[C@H](NC(=O)C1(C(N)=O)CC1)CO2 ZINC001327408286 884887070 /nfs/dbraw/zinc/88/70/70/884887070.db2.gz SEXZULILRIGTME-JTQLQIEISA-N 1 2 297.355 -1.142 20 0 CAADLO NC(=O)C(=O)N[C@@H]1COC2(C[NH+](CCOCC3CC3)C2)C1 ZINC001327408306 884887480 /nfs/dbraw/zinc/88/74/80/884887480.db2.gz SLAFADDRQXBHPW-NSHDSACASA-N 1 2 297.355 -1.142 20 0 CAADLO O=C1C[C@H]([N@@H+]2CC[C@@H]3OCC(=O)N[C@H]3C2)C(=O)N1 ZINC001327468000 884890602 /nfs/dbraw/zinc/89/06/02/884890602.db2.gz ISQWNUYTIKHBKL-FXQIFTODSA-N 1 2 253.258 -2.009 20 0 CAADLO O=C1C[C@H]([N@H+]2CC[C@@H]3OCC(=O)N[C@H]3C2)C(=O)N1 ZINC001327468000 884890609 /nfs/dbraw/zinc/89/06/09/884890609.db2.gz ISQWNUYTIKHBKL-FXQIFTODSA-N 1 2 253.258 -2.009 20 0 CAADLO CNS(=O)(=O)C1CC[NH+]([C@@H]2CC(=O)NC2=O)CC1 ZINC001327469409 884891824 /nfs/dbraw/zinc/89/18/24/884891824.db2.gz VSZLJGCWRALQCR-MRVPVSSYSA-N 1 2 275.330 -1.585 20 0 CAADLO COCC[NH+]1CCN(C(=O)C(=O)Nc2cnnn2C)CC1 ZINC001327545729 884901941 /nfs/dbraw/zinc/90/19/41/884901941.db2.gz TVSZIUCOHKJDOC-UHFFFAOYSA-N 1 2 296.331 -1.456 20 0 CAADLO Cn1nnnc1C[NH2+][C@@]1(CO)CCCN(C(=O)C(N)=O)C1 ZINC001327590948 884904103 /nfs/dbraw/zinc/90/41/03/884904103.db2.gz JBYDKGXBPIDAAO-NSHDSACASA-N 1 2 297.319 -2.862 20 0 CAADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)NCC[S@@](C)=O ZINC001327657982 884915562 /nfs/dbraw/zinc/91/55/62/884915562.db2.gz OZVDHJLDDDBXSN-ZRNGKTOUSA-N 1 2 286.357 -1.118 20 0 CAADLO C[NH+]1CCN(C(=O)c2cnn(C[C@@H](O)CO)c2)CC1 ZINC001327745440 884926293 /nfs/dbraw/zinc/92/62/93/884926293.db2.gz PFXMBKGTSSMHHA-LLVKDONJSA-N 1 2 268.317 -1.376 20 0 CAADLO C[C@@H](c1nnnn1C1CC1)[N@@H+]1CC[C@](O)(C(N)=O)C1 ZINC001327836849 884931061 /nfs/dbraw/zinc/93/10/61/884931061.db2.gz YAXIYELUGCIMOQ-WRWORJQWSA-N 1 2 266.305 -1.009 20 0 CAADLO O=C(NC[C@H](O)CO)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC001327909663 884938842 /nfs/dbraw/zinc/93/88/42/884938842.db2.gz AXDFNQSHKIKBQP-VIFPVBQESA-N 1 2 278.268 -1.258 20 0 CAADLO O=C(NC[C@@H](O)CO)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC001327909662 884940488 /nfs/dbraw/zinc/94/04/88/884940488.db2.gz AXDFNQSHKIKBQP-SECBINFHSA-N 1 2 278.268 -1.258 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCN2C=O)C1 ZINC001327934031 884941916 /nfs/dbraw/zinc/94/19/16/884941916.db2.gz HYVYHRBUPSCIQQ-MNOVXSKESA-N 1 2 282.344 -1.327 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCN2C=O)C1 ZINC001327934031 884941928 /nfs/dbraw/zinc/94/19/28/884941928.db2.gz HYVYHRBUPSCIQQ-MNOVXSKESA-N 1 2 282.344 -1.327 20 0 CAADLO CCOC(=O)[C@@H](N)C(=O)N[C@@H](C)C[NH+]1CCN(C)CC1 ZINC001328456120 884987348 /nfs/dbraw/zinc/98/73/48/884987348.db2.gz VCBOEYZJKPXOLJ-QWRGUYRKSA-N 1 2 286.376 -1.371 20 0 CAADLO CCOC(=O)[C@H](N)C(=O)N[C@@H](C)C[NH+]1CCN(C)CC1 ZINC001328456127 884988839 /nfs/dbraw/zinc/98/88/39/884988839.db2.gz VCBOEYZJKPXOLJ-WDEREUQCSA-N 1 2 286.376 -1.371 20 0 CAADLO CCC[C@H](NC(=O)CNC(=O)C[NH3+])c1nn[nH]n1 ZINC001328523166 884997457 /nfs/dbraw/zinc/99/74/57/884997457.db2.gz UIKMLYQJSVYTSV-LURJTMIESA-N 1 2 255.282 -1.768 20 0 CAADLO Cc1conc1C[NH+]1CCC(CO)(NC(=O)C(N)=O)CC1 ZINC001328542641 884998799 /nfs/dbraw/zinc/99/87/99/884998799.db2.gz QSEUEFWOFDQPLD-UHFFFAOYSA-N 1 2 296.327 -1.089 20 0 CAADLO NC(=O)[C@H](O)CNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001328676946 885012652 /nfs/dbraw/zinc/01/26/52/885012652.db2.gz SIAYILBSOWYQQH-SECBINFHSA-N 1 2 266.301 -1.276 20 0 CAADLO O=C(NCCn1cc[nH+]c1)C(=O)N1C[C@@H]2C[C@H]1C[S@@]2=O ZINC001328910762 885035507 /nfs/dbraw/zinc/03/55/07/885035507.db2.gz VQSULPYDQAXCBP-VUPYVKPUSA-N 1 2 296.352 -1.269 20 0 CAADLO NC(=O)[C@@H]1C[C@@H](O)C[N@@H+]1[C@@H]1CCN(C2CC2)C1=O ZINC001328939410 885036386 /nfs/dbraw/zinc/03/63/86/885036386.db2.gz SICHMEASHXPFOC-BBBLOLIVSA-N 1 2 253.302 -1.330 20 0 CAADLO NC(=O)[C@@H]1C[C@@H](O)C[N@H+]1[C@@H]1CCN(C2CC2)C1=O ZINC001328939410 885036405 /nfs/dbraw/zinc/03/64/05/885036405.db2.gz SICHMEASHXPFOC-BBBLOLIVSA-N 1 2 253.302 -1.330 20 0 CAADLO CCS(=O)(=O)CC[NH2+][C@@]1(C(N)=O)CCOC1 ZINC001329016615 885047215 /nfs/dbraw/zinc/04/72/15/885047215.db2.gz GIRMODNOOAGCIS-VIFPVBQESA-N 1 2 250.320 -1.345 20 0 CAADLO CNS(=O)(=O)CC(=O)N[C@H]1CCn2c[nH+]cc21 ZINC001329104278 885062185 /nfs/dbraw/zinc/06/21/85/885062185.db2.gz GFSHJINNFAMPEY-ZETCQYMHSA-N 1 2 258.303 -1.007 20 0 CAADLO CN1CCC[C@@H]([NH2+]Cc2cn(CC(N)=O)nn2)C1=O ZINC001329160572 885071777 /nfs/dbraw/zinc/07/17/77/885071777.db2.gz GYTCLEYNOFUQIT-SECBINFHSA-N 1 2 266.305 -1.526 20 0 CAADLO Cn1c[nH+]cc1CNC(=S)NCCNS(C)(=O)=O ZINC001329259803 885082075 /nfs/dbraw/zinc/08/20/75/885082075.db2.gz OXKDFMFZPHDKIZ-UHFFFAOYSA-N 1 2 291.402 -1.067 20 0 CAADLO C[C@H](O)C[NH+]1CCN(C(=O)C(=O)N2CCC2)CC1 ZINC001329292011 885088597 /nfs/dbraw/zinc/08/85/97/885088597.db2.gz HIDGDNSAWQEERF-JTQLQIEISA-N 1 2 255.318 -1.256 20 0 CAADLO O=C(/C=C/C[NH+]1CCOCC1)NCC1(CO)COC1 ZINC001329377195 885096251 /nfs/dbraw/zinc/09/62/51/885096251.db2.gz FQTOHDXLYLVHEK-OWOJBTEDSA-N 1 2 270.329 -1.000 20 0 CAADLO CC(C)CNC(=O)C[N@H+](C)[C@H](C)CNC(=O)C(N)=O ZINC001329533584 885114812 /nfs/dbraw/zinc/11/48/12/885114812.db2.gz XJTCQJWVQINFPR-SECBINFHSA-N 1 2 272.349 -1.320 20 0 CAADLO O=C(/C=C/C[NH+]1CCOCC1)NC[C@H](O)Cn1ccnn1 ZINC001329578502 885116992 /nfs/dbraw/zinc/11/69/92/885116992.db2.gz SDLKTLQUHRGUFJ-ISUDXETCSA-N 1 2 295.343 -1.356 20 0 CAADLO O=C(/C=C/C[NH+]1CCOCC1)NC[C@@H](O)Cn1ccnn1 ZINC001329578504 885117458 /nfs/dbraw/zinc/11/74/58/885117458.db2.gz SDLKTLQUHRGUFJ-YYRQZUAOSA-N 1 2 295.343 -1.356 20 0 CAADLO CN(C)[C@H](C(=O)N(C)CC(N)=O)c1c[nH+]cn1C ZINC001329608935 885120324 /nfs/dbraw/zinc/12/03/24/885120324.db2.gz YHDLQNBEMOVJFS-JTQLQIEISA-N 1 2 253.306 -1.034 20 0 CAADLO O=C([C@@H]1CCNC1=O)N1CCO[C@@H](C[NH+]2CCOCC2)C1 ZINC001329607473 885120435 /nfs/dbraw/zinc/12/04/35/885120435.db2.gz JKYRAIADMKOQDR-NWDGAFQWSA-N 1 2 297.355 -1.318 20 0 CAADLO O=C([C@H]1CCNC1=O)N1CCO[C@H](C[NH+]2CCOCC2)C1 ZINC001329607471 885120447 /nfs/dbraw/zinc/12/04/47/885120447.db2.gz JKYRAIADMKOQDR-NEPJUHHUSA-N 1 2 297.355 -1.318 20 0 CAADLO O=C([C@H]1CCNC1=O)N1CCO[C@@H](C[NH+]2CCOCC2)C1 ZINC001329607476 885120634 /nfs/dbraw/zinc/12/06/34/885120634.db2.gz JKYRAIADMKOQDR-RYUDHWBXSA-N 1 2 297.355 -1.318 20 0 CAADLO Cc1cc(NC(=O)C(=O)NC[C@@H](C)[N@H+](C)CC(N)=O)no1 ZINC001329614174 885123176 /nfs/dbraw/zinc/12/31/76/885123176.db2.gz SQHJWPOGFIFBGW-SSDOTTSWSA-N 1 2 297.315 -1.157 20 0 CAADLO Cc1cc(NC(=O)C(=O)NC[C@@H](C)[N@@H+](C)CC(N)=O)no1 ZINC001329614174 885123180 /nfs/dbraw/zinc/12/31/80/885123180.db2.gz SQHJWPOGFIFBGW-SSDOTTSWSA-N 1 2 297.315 -1.157 20 0 CAADLO Cc1cc(NC(=O)C(=O)NC[C@H](C)[N@H+](C)CC(N)=O)no1 ZINC001329614175 885123824 /nfs/dbraw/zinc/12/38/24/885123824.db2.gz SQHJWPOGFIFBGW-ZETCQYMHSA-N 1 2 297.315 -1.157 20 0 CAADLO Cc1cc(NC(=O)C(=O)NC[C@H](C)[N@@H+](C)CC(N)=O)no1 ZINC001329614175 885123830 /nfs/dbraw/zinc/12/38/30/885123830.db2.gz SQHJWPOGFIFBGW-ZETCQYMHSA-N 1 2 297.315 -1.157 20 0 CAADLO CC[NH+]1CC(CCO)(NC(=O)CNC(=O)NC)C1 ZINC001329667514 885130056 /nfs/dbraw/zinc/13/00/56/885130056.db2.gz LUDMBFGLFOCCMF-UHFFFAOYSA-N 1 2 258.322 -1.512 20 0 CAADLO COC[C@@H](C)[NH+]1CC(CCO)(NC(=O)[C@@H]2CCNC2=O)C1 ZINC001329682361 885132035 /nfs/dbraw/zinc/13/20/35/885132035.db2.gz SXWKRNKHISKCTQ-GHMZBOCLSA-N 1 2 299.371 -1.290 20 0 CAADLO COC(=O)c1ncn(C[N@@H+]2C[C@@H]3C(=O)N(C)C(=O)[C@@H]3C2)n1 ZINC001329732776 885135442 /nfs/dbraw/zinc/13/54/42/885135442.db2.gz AHHJDAITCIWYHE-OCAPTIKFSA-N 1 2 293.283 -1.431 20 0 CAADLO COC(=O)c1ncn(C[N@H+]2C[C@@H]3C(=O)N(C)C(=O)[C@@H]3C2)n1 ZINC001329732776 885135446 /nfs/dbraw/zinc/13/54/46/885135446.db2.gz AHHJDAITCIWYHE-OCAPTIKFSA-N 1 2 293.283 -1.431 20 0 CAADLO Cn1cc(CC[N@@H+]2CCN3C(=O)C(=O)NC[C@@H]3C2)nn1 ZINC001329793719 885138676 /nfs/dbraw/zinc/13/86/76/885138676.db2.gz WOKZPZYVIFAWAU-SNVBAGLBSA-N 1 2 278.316 -2.000 20 0 CAADLO Cn1cc(CC[N@H+]2CCN3C(=O)C(=O)NC[C@@H]3C2)nn1 ZINC001329793719 885138683 /nfs/dbraw/zinc/13/86/83/885138683.db2.gz WOKZPZYVIFAWAU-SNVBAGLBSA-N 1 2 278.316 -2.000 20 0 CAADLO O=C1CC[C@@H](C[N@@H+]2CCN3C(=O)NC(=O)[C@@H]3C2)O1 ZINC001329878175 885148573 /nfs/dbraw/zinc/14/85/73/885148573.db2.gz YXVMIUZRRMKHKR-YUMQZZPRSA-N 1 2 253.258 -1.072 20 0 CAADLO O=C1CC[C@@H](C[N@H+]2CCN3C(=O)NC(=O)[C@@H]3C2)O1 ZINC001329878175 885148595 /nfs/dbraw/zinc/14/85/95/885148595.db2.gz YXVMIUZRRMKHKR-YUMQZZPRSA-N 1 2 253.258 -1.072 20 0 CAADLO C[C@@H]1NC(=O)N(CC[N@@H+]2CCO[C@@H](CC(N)=O)C2)C1=O ZINC001329929159 885156969 /nfs/dbraw/zinc/15/69/69/885156969.db2.gz JEUYHCJMJBVFLD-IUCAKERBSA-N 1 2 284.316 -1.497 20 0 CAADLO C[C@@H]1NC(=O)N(CC[N@H+]2CCO[C@@H](CC(N)=O)C2)C1=O ZINC001329929159 885156979 /nfs/dbraw/zinc/15/69/79/885156979.db2.gz JEUYHCJMJBVFLD-IUCAKERBSA-N 1 2 284.316 -1.497 20 0 CAADLO O=C(NCCCn1cc[nH+]c1)C(=O)N1CCCNC(=O)C1 ZINC001329927841 885157571 /nfs/dbraw/zinc/15/75/71/885157571.db2.gz RJVYTYVQZLRXIR-UHFFFAOYSA-N 1 2 293.327 -1.262 20 0 CAADLO NC(=O)CC(=O)N1CCO[C@@H](C[NH+]2CCOCC2)C1 ZINC001329988958 885162565 /nfs/dbraw/zinc/16/25/65/885162565.db2.gz NQRKTLWFWPUFDS-JTQLQIEISA-N 1 2 271.317 -1.579 20 0 CAADLO C[C@H](NC(=O)C(C)(C)C(N)=O)C1C[NH+](CC(N)=O)C1 ZINC001330021729 885165072 /nfs/dbraw/zinc/16/50/72/885165072.db2.gz NRPWBZQZZRFEPK-ZETCQYMHSA-N 1 2 270.333 -1.580 20 0 CAADLO Cc1nccn1CCNC(=O)C(=O)NC[C@H]1COCC[NH2+]1 ZINC001330025345 885167324 /nfs/dbraw/zinc/16/73/24/885167324.db2.gz WYPFIDGEJXCGLW-NSHDSACASA-N 1 2 295.343 -1.588 20 0 CAADLO C[C@H](NC(=O)C(N)=O)C1C[NH+](CCCS(C)(=O)=O)C1 ZINC001330037814 885169650 /nfs/dbraw/zinc/16/96/50/885169650.db2.gz FRTIHZZPGJOUHF-QMMMGPOBSA-N 1 2 291.373 -1.657 20 0 CAADLO COc1nccc(C[NH+]2CC([C@H](C)NC(=O)C(N)=O)C2)n1 ZINC001330046261 885169934 /nfs/dbraw/zinc/16/99/34/885169934.db2.gz FVZGTNMKIXNZLV-QMMMGPOBSA-N 1 2 293.327 -1.093 20 0 CAADLO C[C@@H](NC(=O)C(N)=O)C1C[NH+](CCCS(C)(=O)=O)C1 ZINC001330037813 885170017 /nfs/dbraw/zinc/17/00/17/885170017.db2.gz FRTIHZZPGJOUHF-MRVPVSSYSA-N 1 2 291.373 -1.657 20 0 CAADLO COC(=O)[C@]1(O)CC[N@@H+](CCS(C)(=O)=O)C1 ZINC001330732635 885221520 /nfs/dbraw/zinc/22/15/20/885221520.db2.gz MTJGJLJJRKQNMA-VIFPVBQESA-N 1 2 251.304 -1.359 20 0 CAADLO C[C@@H](NC(=O)CN1C(=O)CNC1=O)C1C[NH+](CC(N)=O)C1 ZINC001330074058 885173240 /nfs/dbraw/zinc/17/32/40/885173240.db2.gz JFQAAALAVISADA-SSDOTTSWSA-N 1 2 297.315 -2.540 20 0 CAADLO O=C(Cn1cc[nH+]c1)N1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC001330122495 885176074 /nfs/dbraw/zinc/17/60/74/885176074.db2.gz GKVACUMNYNYZIV-QMMMGPOBSA-N 1 2 263.257 -1.354 20 0 CAADLO CCNC(=O)C[N@@H+]1C[C@H](NC(=O)C(N)=O)C(C)(C)C1 ZINC001330229755 885186424 /nfs/dbraw/zinc/18/64/24/885186424.db2.gz JDYXTVRLSOSHKP-QMMMGPOBSA-N 1 2 270.333 -1.566 20 0 CAADLO CCNC(=O)C[N@H+]1C[C@H](NC(=O)C(N)=O)C(C)(C)C1 ZINC001330229755 885186431 /nfs/dbraw/zinc/18/64/31/885186431.db2.gz JDYXTVRLSOSHKP-QMMMGPOBSA-N 1 2 270.333 -1.566 20 0 CAADLO COCC[C@H](NC(=O)/C=C\C[NH+]1CCOCC1)C(N)=O ZINC001330380261 885190935 /nfs/dbraw/zinc/19/09/35/885190935.db2.gz VMFIJERIFNKFTE-QUCGXOGASA-N 1 2 285.344 -1.119 20 0 CAADLO COC(=O)C[C@@H]1C(=O)NCC[N@H+]1C[C@H]1CNC(=O)C1 ZINC001330544729 885202918 /nfs/dbraw/zinc/20/29/18/885202918.db2.gz JUPBNLVIEFZNQB-RKDXNWHRSA-N 1 2 269.301 -1.514 20 0 CAADLO O=C(C[C@H]1CC(=O)N1)N1CCO[C@@H](C[NH+]2CCOCC2)C1 ZINC001330603531 885210371 /nfs/dbraw/zinc/21/03/71/885210371.db2.gz NZGPMZAZZZMOOR-NEPJUHHUSA-N 1 2 297.355 -1.175 20 0 CAADLO O=C(C[C@H]1CC(=O)N1)N1CCO[C@H](C[NH+]2CCOCC2)C1 ZINC001330603849 885211062 /nfs/dbraw/zinc/21/10/62/885211062.db2.gz NZGPMZAZZZMOOR-VXGBXAGGSA-N 1 2 297.355 -1.175 20 0 CAADLO COC(=O)CN1CC[NH+](CCN2C(=O)N[C@H](C)C2=O)CC1 ZINC001330689964 885217763 /nfs/dbraw/zinc/21/77/63/885217763.db2.gz DKLYZZDOSYWLIJ-SNVBAGLBSA-N 1 2 298.343 -1.283 20 0 CAADLO COC(=O)[C@]1(O)CC[N@H+](CCS(C)(=O)=O)C1 ZINC001330732635 885221500 /nfs/dbraw/zinc/22/15/00/885221500.db2.gz MTJGJLJJRKQNMA-VIFPVBQESA-N 1 2 251.304 -1.359 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@H](NC(=O)C2(C(N)=O)CCC2)C1 ZINC001330776491 885227320 /nfs/dbraw/zinc/22/73/20/885227320.db2.gz GUKBVUBETXTNOV-VIFPVBQESA-N 1 2 282.344 -1.292 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@H](NC(=O)C2(C(N)=O)CCC2)C1 ZINC001330776491 885227338 /nfs/dbraw/zinc/22/73/38/885227338.db2.gz GUKBVUBETXTNOV-VIFPVBQESA-N 1 2 282.344 -1.292 20 0 CAADLO NC(=O)CN1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1=O ZINC001330861842 885238343 /nfs/dbraw/zinc/23/83/43/885238343.db2.gz GWBPDSDIFFKHQM-UHFFFAOYSA-N 1 2 265.273 -1.892 20 0 CAADLO CCN1CC[C@H](NC(=O)C(=O)NCCn2cc[nH+]c2)C1=O ZINC001330942680 885241330 /nfs/dbraw/zinc/24/13/30/885241330.db2.gz UZFBOAYEFCBLIM-JTQLQIEISA-N 1 2 293.327 -1.264 20 0 CAADLO Cn1c[nH+]cc1CNC(=O)N1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC001330962076 885244018 /nfs/dbraw/zinc/24/40/18/885244018.db2.gz RLQJZGITJUUQSN-VIFPVBQESA-N 1 2 292.299 -1.134 20 0 CAADLO CN(C)C(=O)CN1CC[NH+](CCn2cnnn2)CC1 ZINC001331099038 885249096 /nfs/dbraw/zinc/24/90/96/885249096.db2.gz SCKRGTKPTKLKOB-UHFFFAOYSA-N 1 2 267.337 -1.621 20 0 CAADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCCS(N)(=O)=O ZINC001331166987 885258131 /nfs/dbraw/zinc/25/81/31/885258131.db2.gz TVHKIWQOYCCNPO-ZETCQYMHSA-N 1 2 260.319 -1.007 20 0 CAADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCCS(N)(=O)=O ZINC001331166987 885258150 /nfs/dbraw/zinc/25/81/50/885258150.db2.gz TVHKIWQOYCCNPO-ZETCQYMHSA-N 1 2 260.319 -1.007 20 0 CAADLO CS(=O)(=O)CCCNC(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC001331296534 885271568 /nfs/dbraw/zinc/27/15/68/885271568.db2.gz OQABDRAIOHUWNU-JTQLQIEISA-N 1 2 293.389 -1.213 20 0 CAADLO CS(=O)(=O)CCCNC(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC001331296534 885271585 /nfs/dbraw/zinc/27/15/85/885271585.db2.gz OQABDRAIOHUWNU-JTQLQIEISA-N 1 2 293.389 -1.213 20 0 CAADLO NC(=O)C[C@H]1C[N@H+](CCN2CCOCC2)CCO1 ZINC001331489785 885281061 /nfs/dbraw/zinc/28/10/61/885281061.db2.gz PTYDAMKPYFZJSH-NSHDSACASA-N 1 2 257.334 -1.105 20 0 CAADLO NC(=O)C[C@H]1C[N@@H+](CCN2CCOCC2)CCO1 ZINC001331489785 885281080 /nfs/dbraw/zinc/28/10/80/885281080.db2.gz PTYDAMKPYFZJSH-NSHDSACASA-N 1 2 257.334 -1.105 20 0 CAADLO COCC(=O)NC[C@H](CO)[NH2+]Cc1nnnn1C ZINC001331668553 885302143 /nfs/dbraw/zinc/30/21/43/885302143.db2.gz WTZCJRPLXDQBSL-SSDOTTSWSA-N 1 2 258.282 -2.577 20 0 CAADLO C[C@H]([NH2+][C@H](CO)CNC(=O)C1CC1)c1nnnn1C ZINC001331662256 885304685 /nfs/dbraw/zinc/30/46/85/885304685.db2.gz GQQQMJFWGUAWFN-CBAPKCEASA-N 1 2 268.321 -1.252 20 0 CAADLO Cn1ncnc1C[NH2+][C@H](CO)CNC(=O)C(F)F ZINC001331669006 885305671 /nfs/dbraw/zinc/30/56/71/885305671.db2.gz XSJNZVBZKUORJM-LURJTMIESA-N 1 2 263.248 -1.353 20 0 CAADLO COCC(=O)NC[C@@H](CO)[NH2+]Cc1nnnn1C ZINC001331668641 885306264 /nfs/dbraw/zinc/30/62/64/885306264.db2.gz WTZCJRPLXDQBSL-ZETCQYMHSA-N 1 2 258.282 -2.577 20 0 CAADLO O=C(C[C@@H]1NC(=O)NC1=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC001331697985 885313903 /nfs/dbraw/zinc/31/39/03/885313903.db2.gz BSQYUGGLEFYBQF-CBAPKCEASA-N 1 2 277.284 -1.088 20 0 CAADLO O=C(C[C@@H]1NC(=O)NC1=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC001331697984 885314430 /nfs/dbraw/zinc/31/44/30/885314430.db2.gz BSQYUGGLEFYBQF-APPZFPTMSA-N 1 2 277.284 -1.088 20 0 CAADLO Cn1nnnc1C[NH2+][C@H](CO)CNC(=O)C=C1CCC1 ZINC001331695446 885316004 /nfs/dbraw/zinc/31/60/04/885316004.db2.gz HUOUQCIEWMFCIJ-JTQLQIEISA-N 1 2 280.332 -1.113 20 0 CAADLO O=C1NC(=O)N2CC[N@H+](CCn3cnnn3)C[C@@H]12 ZINC001331758202 885337197 /nfs/dbraw/zinc/33/71/97/885337197.db2.gz HCBMPZKTCMGZFW-ZETCQYMHSA-N 1 2 251.250 -2.091 20 0 CAADLO O=C1NC(=O)N2CC[N@@H+](CCn3cnnn3)C[C@@H]12 ZINC001331758202 885337215 /nfs/dbraw/zinc/33/72/15/885337215.db2.gz HCBMPZKTCMGZFW-ZETCQYMHSA-N 1 2 251.250 -2.091 20 0 CAADLO O=C1NC(=O)N2CC[N@H+](CCn3cnnn3)C[C@H]12 ZINC001331758201 885337912 /nfs/dbraw/zinc/33/79/12/885337912.db2.gz HCBMPZKTCMGZFW-SSDOTTSWSA-N 1 2 251.250 -2.091 20 0 CAADLO O=C(NC[C@H](CO)[NH2+]Cc1ccon1)[C@H]1CCNC1=O ZINC001331771257 885339826 /nfs/dbraw/zinc/33/98/26/885339826.db2.gz LBAAGUZTSYMLPB-ZJUUUORDSA-N 1 2 282.300 -1.623 20 0 CAADLO O=C(NC[C@H](CO)[NH2+]Cc1ccon1)[C@@H]1CCNC1=O ZINC001331771247 885340001 /nfs/dbraw/zinc/34/00/01/885340001.db2.gz LBAAGUZTSYMLPB-NXEZZACHSA-N 1 2 282.300 -1.623 20 0 CAADLO O=C(NC[C@@H](CO)[NH2+]Cc1ccon1)[C@H]1CCNC1=O ZINC001331771253 885340506 /nfs/dbraw/zinc/34/05/06/885340506.db2.gz LBAAGUZTSYMLPB-UWVGGRQHSA-N 1 2 282.300 -1.623 20 0 CAADLO CC(C)n1cc(C[NH2+][C@H](CO)CNC(=O)C(N)=O)nn1 ZINC001331773487 885342874 /nfs/dbraw/zinc/34/28/74/885342874.db2.gz GJTABNGBGZWLEW-VIFPVBQESA-N 1 2 284.320 -2.089 20 0 CAADLO COC(=O)CN1CC[NH+](CCN2C(=O)CNC2=O)CC1 ZINC001331774548 885346939 /nfs/dbraw/zinc/34/69/39/885346939.db2.gz KBNMZVOGDMCQQJ-UHFFFAOYSA-N 1 2 284.316 -1.671 20 0 CAADLO O=C(c1cc(CO)on1)N1CC[NH+](CCO)CC1 ZINC001331866962 885360011 /nfs/dbraw/zinc/36/00/11/885360011.db2.gz WPLLFCXGFFFSGO-UHFFFAOYSA-N 1 2 255.274 -1.083 20 0 CAADLO CN1CC[N@H+](C)[C@@H](CNC(=O)C[C@H]2CCNC2=O)C1 ZINC001331895406 885362827 /nfs/dbraw/zinc/36/28/27/885362827.db2.gz WCMGFMXBWFUUFN-MNOVXSKESA-N 1 2 268.361 -1.125 20 0 CAADLO CN1CC[N@@H+](C)[C@@H](CNC(=O)C[C@H]2CCNC2=O)C1 ZINC001331895406 885362847 /nfs/dbraw/zinc/36/28/47/885362847.db2.gz WCMGFMXBWFUUFN-MNOVXSKESA-N 1 2 268.361 -1.125 20 0 CAADLO C[C@H](C(=O)N=c1nc[nH]n1C)N1CC[NH+](C)CC1 ZINC001331921830 885363680 /nfs/dbraw/zinc/36/36/80/885363680.db2.gz ALNMUPWUNVLEAU-SECBINFHSA-N 1 2 252.322 -1.189 20 0 CAADLO C[C@@H](C(=O)N[C@]12C[C@H]1COC2)N1CC[NH2+]CC1=O ZINC001332095599 885378321 /nfs/dbraw/zinc/37/83/21/885378321.db2.gz NSCYZGMTSSTULG-AUTRQRHGSA-N 1 2 253.302 -1.288 20 0 CAADLO COC(=O)[C@@H](F)CNC(=O)CN1CC[NH2+]CC1=O ZINC001332135486 885382394 /nfs/dbraw/zinc/38/23/94/885382394.db2.gz MPBVXQPIMUKPHJ-ZETCQYMHSA-N 1 2 261.253 -1.955 20 0 CAADLO COC[C@@](C)(O)C(=O)N[C@@H](CO)c1c[nH+]cn1C ZINC001332244380 885392931 /nfs/dbraw/zinc/39/29/31/885392931.db2.gz HYDUERXAUZNSNN-GZMMTYOYSA-N 1 2 257.290 -1.033 20 0 CAADLO Cn1c[nH+]cc1CNC(=O)CN1CCNC(=O)C1 ZINC001332245695 885395349 /nfs/dbraw/zinc/39/53/49/885395349.db2.gz RWKYBBBKWCCCRK-UHFFFAOYSA-N 1 2 251.290 -1.532 20 0 CAADLO C[C@@H]1CS(=O)(=O)C[C@@H]1N1C(=O)N[C@H](C[NH+](C)C)C1=O ZINC001332363540 885403257 /nfs/dbraw/zinc/40/32/57/885403257.db2.gz GQHOJFLGXQTPGH-HLTSFMKQSA-N 1 2 289.357 -1.099 20 0 CAADLO O=C(NCCn1cc[nH+]c1)C(=O)N1CCCNC(=O)C1 ZINC001332417650 885407984 /nfs/dbraw/zinc/40/79/84/885407984.db2.gz XWWYWMCJAXWUIH-UHFFFAOYSA-N 1 2 279.300 -1.652 20 0 CAADLO O=C(Cc1c[nH+]c[nH]1)N1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC001332407654 885408385 /nfs/dbraw/zinc/40/83/85/885408385.db2.gz GAFXZTLXQQFIES-QMMMGPOBSA-N 1 2 263.257 -1.285 20 0 CAADLO Cn1c[nH+]cc1CNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001332468800 885410274 /nfs/dbraw/zinc/41/02/74/885410274.db2.gz HFKAYARPAKOPEE-QMMMGPOBSA-N 1 2 258.303 -1.272 20 0 CAADLO Cn1c[nH+]cc1CNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001332468798 885410604 /nfs/dbraw/zinc/41/06/04/885410604.db2.gz HFKAYARPAKOPEE-MRVPVSSYSA-N 1 2 258.303 -1.272 20 0 CAADLO CC[C@@H]([NH3+])CNC(=O)Cn1[nH]cc2c(=O)ncnc1-2 ZINC001332434621 885411395 /nfs/dbraw/zinc/41/13/95/885411395.db2.gz CKHXMZANGIGNCI-SSDOTTSWSA-N 1 2 264.289 -1.075 20 0 CAADLO CC[NH+]1CCN(C(=O)C(=O)NCCCn2cncn2)CC1 ZINC001332584923 885424222 /nfs/dbraw/zinc/42/42/22/885424222.db2.gz WNNOHHXTMLLQLC-UHFFFAOYSA-N 1 2 294.359 -1.052 20 0 CAADLO C[C@H]1C[N@H+](CCO)CCN1C(=O)c1nnn(C)n1 ZINC001332613344 885426494 /nfs/dbraw/zinc/42/64/94/885426494.db2.gz GAOORJRIADJZPA-QMMMGPOBSA-N 1 2 254.294 -1.651 20 0 CAADLO C[C@H]1C[N@@H+](CCO)CCN1C(=O)c1nnn(C)n1 ZINC001332613344 885426501 /nfs/dbraw/zinc/42/65/01/885426501.db2.gz GAOORJRIADJZPA-QMMMGPOBSA-N 1 2 254.294 -1.651 20 0 CAADLO Cn1cc([C@H]2CN(C(=O)CC(N)=O)CC[NH2+]2)cn1 ZINC001332707985 885435253 /nfs/dbraw/zinc/43/52/53/885435253.db2.gz SJMAXYITUJRDJG-SECBINFHSA-N 1 2 251.290 -1.232 20 0 CAADLO C[C@@H](NC(=O)CN1CC[NH+](C)CC1)[C@@H]1C[N@H+](C)CCN1C ZINC001332753993 885437386 /nfs/dbraw/zinc/43/73/86/885437386.db2.gz AMKIKFNXTSPTQP-KGLIPLIRSA-N 1 2 297.447 -1.016 20 0 CAADLO C[C@H](C[NH+]1CCOCC1)NC(=O)C[C@H]1CC(=O)NC1=O ZINC001332820352 885438947 /nfs/dbraw/zinc/43/89/47/885438947.db2.gz GEDFVYYWPCXEKM-ZJUUUORDSA-N 1 2 283.328 -1.124 20 0 CAADLO C[NH+](C)C[C@@H]1NC(=O)N(CCS(C)(=O)=O)C1=O ZINC001332833506 885443984 /nfs/dbraw/zinc/44/39/84/885443984.db2.gz LPYKYMQYVOBQIL-ZETCQYMHSA-N 1 2 263.319 -1.487 20 0 CAADLO Cn1nnnc1CC[N@@H+]1CCO[C@H](CC(N)=O)C1 ZINC001333056030 885454367 /nfs/dbraw/zinc/45/43/67/885454367.db2.gz YYKFVDYDKJGXMP-MRVPVSSYSA-N 1 2 254.294 -1.671 20 0 CAADLO Cn1nnnc1CC[N@H+]1CCO[C@H](CC(N)=O)C1 ZINC001333056030 885454370 /nfs/dbraw/zinc/45/43/70/885454370.db2.gz YYKFVDYDKJGXMP-MRVPVSSYSA-N 1 2 254.294 -1.671 20 0 CAADLO Cn1nnnc1CC[N@H+](C)[C@@H]1CCS(=O)(=O)C1 ZINC001333020143 885454469 /nfs/dbraw/zinc/45/44/69/885454469.db2.gz WVKJBAFVZXTDDS-MRVPVSSYSA-N 1 2 259.335 -1.129 20 0 CAADLO Cn1nnnc1CC[N@@H+](C)[C@@H]1CCS(=O)(=O)C1 ZINC001333020143 885454471 /nfs/dbraw/zinc/45/44/71/885454471.db2.gz WVKJBAFVZXTDDS-MRVPVSSYSA-N 1 2 259.335 -1.129 20 0 CAADLO O=C(NCCn1cc[nH+]c1)C(=O)N1CCOC[C@H]1CCO ZINC001333043997 885454863 /nfs/dbraw/zinc/45/48/63/885454863.db2.gz MISVKZPJXSKIEM-LLVKDONJSA-N 1 2 296.327 -1.391 20 0 CAADLO O=C(CO)NCCC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC001333315063 885472004 /nfs/dbraw/zinc/47/20/04/885472004.db2.gz FNKOOQUGODPMNJ-MRVPVSSYSA-N 1 2 252.274 -1.577 20 0 CAADLO NC(=O)C[N@H+]1CC=C(CNC(=O)CCc2nnc[nH]2)CC1 ZINC001333316910 885472134 /nfs/dbraw/zinc/47/21/34/885472134.db2.gz USWUYTMSAHWWGM-UHFFFAOYSA-N 1 2 292.343 -1.029 20 0 CAADLO NC(=O)C[N@@H+]1CC=C(CNC(=O)CCc2nnc[nH]2)CC1 ZINC001333316910 885472140 /nfs/dbraw/zinc/47/21/40/885472140.db2.gz USWUYTMSAHWWGM-UHFFFAOYSA-N 1 2 292.343 -1.029 20 0 CAADLO NC(=O)CN1CC[NH+](CCN2CCOC2=O)CC1 ZINC001333386012 885476588 /nfs/dbraw/zinc/47/65/88/885476588.db2.gz MPDSBQKEPOCOEV-UHFFFAOYSA-N 1 2 256.306 -1.459 20 0 CAADLO Cn1c[nH+]cc1[C@@H](CO)NC(=O)C(=O)NCC(F)F ZINC001333409710 885477528 /nfs/dbraw/zinc/47/75/28/885477528.db2.gz PLKBNCADLRTVFS-ZCFIWIBFSA-N 1 2 276.243 -1.049 20 0 CAADLO C[N@@H+]1CCN(C(=O)CO[C@H]2CCOC2)[C@@H](CO)C1 ZINC001333409648 885477589 /nfs/dbraw/zinc/47/75/89/885477589.db2.gz OUZRIBUVTGESSW-MNOVXSKESA-N 1 2 258.318 -1.073 20 0 CAADLO C[N@H+]1CCN(C(=O)CO[C@H]2CCOC2)[C@@H](CO)C1 ZINC001333409648 885477596 /nfs/dbraw/zinc/47/75/96/885477596.db2.gz OUZRIBUVTGESSW-MNOVXSKESA-N 1 2 258.318 -1.073 20 0 CAADLO C[N@@H+]1CCN(C(=O)CO[C@@H]2CCOC2)[C@H](CO)C1 ZINC001333409652 885477909 /nfs/dbraw/zinc/47/79/09/885477909.db2.gz OUZRIBUVTGESSW-WDEREUQCSA-N 1 2 258.318 -1.073 20 0 CAADLO C[N@H+]1CCN(C(=O)CO[C@@H]2CCOC2)[C@H](CO)C1 ZINC001333409652 885477916 /nfs/dbraw/zinc/47/79/16/885477916.db2.gz OUZRIBUVTGESSW-WDEREUQCSA-N 1 2 258.318 -1.073 20 0 CAADLO CNS(=O)(=O)N1CC(C[NH+]2CCN(C)CC2)C1 ZINC001333489714 885484686 /nfs/dbraw/zinc/48/46/86/885484686.db2.gz PJSRVWDOOKRDQI-UHFFFAOYSA-N 1 2 262.379 -1.370 20 0 CAADLO COCCCNC(=O)Cn1cc(C[N@H+](C)CCO)nn1 ZINC001333518725 885487189 /nfs/dbraw/zinc/48/71/89/885487189.db2.gz BOSCNWPCPFFSFU-UHFFFAOYSA-N 1 2 285.348 -1.145 20 0 CAADLO COCCCNC(=O)Cn1cc(C[N@@H+](C)CCO)nn1 ZINC001333518725 885487197 /nfs/dbraw/zinc/48/71/97/885487197.db2.gz BOSCNWPCPFFSFU-UHFFFAOYSA-N 1 2 285.348 -1.145 20 0 CAADLO O=C([C@@H]1CCc2c[nH+]cn2C1)N1CC2(C1)NC(=O)NC2=O ZINC001333559956 885490270 /nfs/dbraw/zinc/49/02/70/885490270.db2.gz KVHZOTNFMYHYEY-MRVPVSSYSA-N 1 2 289.295 -1.134 20 0 CAADLO COC(=O)[C@@H]1OCC[C@@H]1[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001333607512 885494245 /nfs/dbraw/zinc/49/42/45/885494245.db2.gz ZLOBQIPPUYOFOK-POYBYMJQSA-N 1 2 256.262 -1.472 20 0 CAADLO O=C(NCCn1cc[nH+]c1)C(=O)N1CC=C[C@H]1CO ZINC001333750949 885502068 /nfs/dbraw/zinc/50/20/68/885502068.db2.gz HFRWDLWGHRFUGC-JTQLQIEISA-N 1 2 264.285 -1.241 20 0 CAADLO O=C1NC[C@H]2C[N@H+](C[C@@H]3COCCO3)CCN2C1=O ZINC001333836624 885507272 /nfs/dbraw/zinc/50/72/72/885507272.db2.gz PSOUSSUNIRPEEE-VHSXEESVSA-N 1 2 269.301 -1.956 20 0 CAADLO O=C1NC[C@H]2C[N@@H+](C[C@@H]3COCCO3)CCN2C1=O ZINC001333836624 885507287 /nfs/dbraw/zinc/50/72/87/885507287.db2.gz PSOUSSUNIRPEEE-VHSXEESVSA-N 1 2 269.301 -1.956 20 0 CAADLO O=C1NC(=O)N2CC[N@H+](C[C@@H]3COCCO3)C[C@H]12 ZINC001333874973 885510419 /nfs/dbraw/zinc/51/04/19/885510419.db2.gz VMBXLDUPLXMGKO-RKDXNWHRSA-N 1 2 255.274 -1.362 20 0 CAADLO O=C1NC(=O)N2CC[N@@H+](C[C@@H]3COCCO3)C[C@H]12 ZINC001333874973 885510426 /nfs/dbraw/zinc/51/04/26/885510426.db2.gz VMBXLDUPLXMGKO-RKDXNWHRSA-N 1 2 255.274 -1.362 20 0 CAADLO O=C1NC(=O)N2CC[N@H+](C[C@H]3COCCO3)C[C@H]12 ZINC001333874952 885510519 /nfs/dbraw/zinc/51/05/19/885510519.db2.gz VMBXLDUPLXMGKO-DTWKUNHWSA-N 1 2 255.274 -1.362 20 0 CAADLO O=C1NC(=O)N2CC[N@@H+](C[C@H]3COCCO3)C[C@H]12 ZINC001333874952 885510530 /nfs/dbraw/zinc/51/05/30/885510530.db2.gz VMBXLDUPLXMGKO-DTWKUNHWSA-N 1 2 255.274 -1.362 20 0 CAADLO CCn1cc(CNC(=O)C(=O)NCCn2cc[nH+]c2)nn1 ZINC001333956944 885513164 /nfs/dbraw/zinc/51/31/64/885513164.db2.gz SWWFNQPLRNMLHR-UHFFFAOYSA-N 1 2 291.315 -1.073 20 0 CAADLO O=C(C[C@H]1CC(=O)NC1=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC001333972286 885518102 /nfs/dbraw/zinc/51/81/02/885518102.db2.gz LKVLHPBZPQBMMX-JGVFFNPUSA-N 1 2 262.269 -1.023 20 0 CAADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)N[C@H]1CCNC1=O ZINC001334019649 885519280 /nfs/dbraw/zinc/51/92/80/885519280.db2.gz ZLKFFLGONXXITJ-IUCAKERBSA-N 1 2 279.300 -1.608 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H](O)C2CC2)C1 ZINC001334034945 885520754 /nfs/dbraw/zinc/52/07/54/885520754.db2.gz UBNFGOYJXKOQLM-KOLCDFICSA-N 1 2 255.318 -1.177 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@@H](NC(=O)[C@@H](O)C2CC2)C1 ZINC001334034945 885520762 /nfs/dbraw/zinc/52/07/62/885520762.db2.gz UBNFGOYJXKOQLM-KOLCDFICSA-N 1 2 255.318 -1.177 20 0 CAADLO O=C(NCCCCn1cc[nH+]c1)C(=O)N[C@H]1CCNC1=O ZINC001334015082 885522040 /nfs/dbraw/zinc/52/20/40/885522040.db2.gz ABKRUFOOOXASCJ-JTQLQIEISA-N 1 2 293.327 -1.216 20 0 CAADLO CN1CC[N@@H+](CCCS(N)(=O)=O)C[C@@H]1CO ZINC001335046867 885578467 /nfs/dbraw/zinc/57/84/67/885578467.db2.gz BQFXUCNFOLUUOA-SECBINFHSA-N 1 2 251.352 -1.727 20 0 CAADLO CC(=O)N1CC(C(=O)N2CC[N@@H+](C)[C@@H](CO)C2)C1 ZINC001334250679 885532797 /nfs/dbraw/zinc/53/27/97/885532797.db2.gz GZZAHEMBEZRGMO-LLVKDONJSA-N 1 2 255.318 -1.400 20 0 CAADLO CC(=O)N1CC(C(=O)N2CC[N@H+](C)[C@@H](CO)C2)C1 ZINC001334250679 885532812 /nfs/dbraw/zinc/53/28/12/885532812.db2.gz GZZAHEMBEZRGMO-LLVKDONJSA-N 1 2 255.318 -1.400 20 0 CAADLO NS(=O)(=O)C1C[NH+](CC2(O)CCOCC2)C1 ZINC001334281371 885535442 /nfs/dbraw/zinc/53/54/42/885535442.db2.gz SQTCEVLXIBPDBA-UHFFFAOYSA-N 1 2 250.320 -1.499 20 0 CAADLO C[C@@H]1C[N@H+](CCNC(=O)CN2C(=O)CNC2=O)[C@@H](C)CO1 ZINC001334500012 885549795 /nfs/dbraw/zinc/54/97/95/885549795.db2.gz PEBPKCFZGRHQTE-VHSXEESVSA-N 1 2 298.343 -1.236 20 0 CAADLO C[C@@H]1C[N@@H+](CCNC(=O)CN2C(=O)CNC2=O)[C@@H](C)CO1 ZINC001334500012 885549803 /nfs/dbraw/zinc/54/98/03/885549803.db2.gz PEBPKCFZGRHQTE-VHSXEESVSA-N 1 2 298.343 -1.236 20 0 CAADLO Cc1[nH+]c[nH]c1CC(=O)N(C)[C@@H](C)CNC(=O)C(N)=O ZINC001334500216 885551188 /nfs/dbraw/zinc/55/11/88/885551188.db2.gz JCVJLBLZLUTKTJ-ZETCQYMHSA-N 1 2 281.316 -1.291 20 0 CAADLO CC[NH+](CC)CC(=O)NC[C@@H](O)CS(C)(=O)=O ZINC001334742588 885562126 /nfs/dbraw/zinc/56/21/26/885562126.db2.gz MAASIUYDRVFWHZ-SECBINFHSA-N 1 2 266.363 -1.150 20 0 CAADLO O=C(C[N@H+]1C[C@H](CO)[C@H](O)C1)Nc1cccnn1 ZINC001334948211 885571150 /nfs/dbraw/zinc/57/11/50/885571150.db2.gz HAKMZBDSWYJDAN-RKDXNWHRSA-N 1 2 252.274 -1.300 20 0 CAADLO O=C(C[N@@H+]1C[C@H](CO)[C@H](O)C1)Nc1cccnn1 ZINC001334948211 885571171 /nfs/dbraw/zinc/57/11/71/885571171.db2.gz HAKMZBDSWYJDAN-RKDXNWHRSA-N 1 2 252.274 -1.300 20 0 CAADLO O=C(C[N@@H+]1C[C@H](O)[C@@H](CO)C1)Nc1cccnn1 ZINC001334948208 885572557 /nfs/dbraw/zinc/57/25/57/885572557.db2.gz HAKMZBDSWYJDAN-BDAKNGLRSA-N 1 2 252.274 -1.300 20 0 CAADLO O=C(C[N@H+]1C[C@H](O)[C@@H](CO)C1)Nc1cccnn1 ZINC001334948208 885572565 /nfs/dbraw/zinc/57/25/65/885572565.db2.gz HAKMZBDSWYJDAN-BDAKNGLRSA-N 1 2 252.274 -1.300 20 0 CAADLO CN1CC[N@H+](CCCS(N)(=O)=O)C[C@@H]1CO ZINC001335046867 885578459 /nfs/dbraw/zinc/57/84/59/885578459.db2.gz BQFXUCNFOLUUOA-SECBINFHSA-N 1 2 251.352 -1.727 20 0 CAADLO C[NH+]1CCN(C(=O)C(=O)N2CCCn3nncc3C2)CC1 ZINC001335092636 885580954 /nfs/dbraw/zinc/58/09/54/885580954.db2.gz KRRWYINYLDDEEV-UHFFFAOYSA-N 1 2 292.343 -1.216 20 0 CAADLO C[C@@H](NC(=O)C(N)=O)C1CN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001335119388 885582831 /nfs/dbraw/zinc/58/28/31/885582831.db2.gz WBQGHWWYTUKOEH-SSDOTTSWSA-N 1 2 279.300 -1.599 20 0 CAADLO C[C@H](NC(=O)C(N)=O)C1CN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001335116901 885583000 /nfs/dbraw/zinc/58/30/00/885583000.db2.gz LAUWPIGXURQHEE-QMMMGPOBSA-N 1 2 293.327 -1.209 20 0 CAADLO C[C@@H](NC(=O)C(N)=O)C1CN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001335116900 885584142 /nfs/dbraw/zinc/58/41/42/885584142.db2.gz LAUWPIGXURQHEE-MRVPVSSYSA-N 1 2 293.327 -1.209 20 0 CAADLO C[C@@H](CN1C(=O)N[C@@H](C[NH+](C)C)C1=O)S(C)(=O)=O ZINC001335254909 885602974 /nfs/dbraw/zinc/60/29/74/885602974.db2.gz YPLMRLRCOHJBKY-YUMQZZPRSA-N 1 2 277.346 -1.099 20 0 CAADLO NC(=O)C[C@H]1CN(C(=O)Cn2cc[nH+]c2)CCO1 ZINC001335365639 885615175 /nfs/dbraw/zinc/61/51/75/885615175.db2.gz BVWGPRSIUZRQPL-VIFPVBQESA-N 1 2 252.274 -1.014 20 0 CAADLO NC(=O)C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)CCO1 ZINC001335365637 885616593 /nfs/dbraw/zinc/61/65/93/885616593.db2.gz BVWGPRSIUZRQPL-SECBINFHSA-N 1 2 252.274 -1.014 20 0 CAADLO COC(=O)C1(O)CN(C(=O)C(=O)N2CC[NH+](C)CC2)C1 ZINC001335682589 885629783 /nfs/dbraw/zinc/62/97/83/885629783.db2.gz IDFPUYUWNVXOKH-UHFFFAOYSA-N 1 2 285.300 -2.493 20 0 CAADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)N[C@H]1CNOC1 ZINC001336805329 885683989 /nfs/dbraw/zinc/68/39/89/885683989.db2.gz SKPDJANGSTYVQP-ZJUUUORDSA-N 1 2 258.322 -1.090 20 0 CAADLO C[C@@H]1COCC[N@H+]1CCNC(=O)N[C@H]1CNOC1 ZINC001336805329 885683995 /nfs/dbraw/zinc/68/39/95/885683995.db2.gz SKPDJANGSTYVQP-ZJUUUORDSA-N 1 2 258.322 -1.090 20 0 CAADLO O=C1CNC(=O)N1CC[N@@H+]1CCC[C@H]2OCCNC(=O)[C@@H]21 ZINC001336817824 885684936 /nfs/dbraw/zinc/68/49/36/885684936.db2.gz VBKJUSRTKFQTDP-MWLCHTKSSA-N 1 2 296.327 -1.482 20 0 CAADLO O=C1CNC(=O)N1CC[N@H+]1CCC[C@H]2OCCNC(=O)[C@@H]21 ZINC001336817824 885684944 /nfs/dbraw/zinc/68/49/44/885684944.db2.gz VBKJUSRTKFQTDP-MWLCHTKSSA-N 1 2 296.327 -1.482 20 0 CAADLO O=C1CNC(=O)N1CC[N@@H+]1CCC[C@H]2OCCNC(=O)[C@H]21 ZINC001336817822 885685882 /nfs/dbraw/zinc/68/58/82/885685882.db2.gz VBKJUSRTKFQTDP-KOLCDFICSA-N 1 2 296.327 -1.482 20 0 CAADLO O=C1CNC(=O)N1CC[N@H+]1CCC[C@H]2OCCNC(=O)[C@H]21 ZINC001336817822 885685888 /nfs/dbraw/zinc/68/58/88/885685888.db2.gz VBKJUSRTKFQTDP-KOLCDFICSA-N 1 2 296.327 -1.482 20 0 CAADLO O=C1CN(Cc2cn(Cc3[nH]cc[nH+]3)nn2)CCN1 ZINC001336903760 885689383 /nfs/dbraw/zinc/68/93/83/885689383.db2.gz DUMDNPGSJHRZJB-UHFFFAOYSA-N 1 2 261.289 -1.019 20 0 CAADLO COC(=O)C1(O)CC[NH+](CCS(N)(=O)=O)CC1 ZINC001337058282 885692411 /nfs/dbraw/zinc/69/24/11/885692411.db2.gz WYPUFLVYLROHBY-UHFFFAOYSA-N 1 2 266.319 -1.725 20 0 CAADLO NC(=O)C(NC(=O)c1cccc2[nH+]ccn21)C(N)=O ZINC001337306792 885696377 /nfs/dbraw/zinc/69/63/77/885696377.db2.gz CZXFJEMKLUFXSJ-UHFFFAOYSA-N 1 2 261.241 -1.597 20 0 CAADLO C[C@@H](CN(C)C(=O)CCc1[nH+]ccn1C)NC(=O)C(N)=O ZINC001337362571 885697920 /nfs/dbraw/zinc/69/79/20/885697920.db2.gz AABCCBVELMOPCL-VIFPVBQESA-N 1 2 295.343 -1.199 20 0 CAADLO CC(C)(C[NH+]1CCOCC1)NC(=O)Cn1ncnn1 ZINC001337606455 885711464 /nfs/dbraw/zinc/71/14/64/885711464.db2.gz LPPIUXSZMDRFBI-UHFFFAOYSA-N 1 2 268.321 -1.100 20 0 CAADLO C[C@H](NC(=O)c1nnn(C)n1)[C@H]1C[N@H+](C)CCO1 ZINC001337637826 885715531 /nfs/dbraw/zinc/71/55/31/885715531.db2.gz ROOXLLNUPVSGNO-JGVFFNPUSA-N 1 2 254.294 -1.341 20 0 CAADLO C[C@H](NC(=O)c1nnn(C)n1)[C@H]1C[N@@H+](C)CCO1 ZINC001337637826 885715541 /nfs/dbraw/zinc/71/55/41/885715541.db2.gz ROOXLLNUPVSGNO-JGVFFNPUSA-N 1 2 254.294 -1.341 20 0 CAADLO NC(=O)C(=O)N[C@H](CO)CNC(=O)CCCn1cc[nH+]c1 ZINC001337720506 885717856 /nfs/dbraw/zinc/71/78/56/885717856.db2.gz XNJTVFPDFSZEKR-VIFPVBQESA-N 1 2 297.315 -2.258 20 0 CAADLO NC(=O)C(=O)N[C@@H](CO)CNC(=O)CCCn1cc[nH+]c1 ZINC001337720494 885719406 /nfs/dbraw/zinc/71/94/06/885719406.db2.gz XNJTVFPDFSZEKR-SECBINFHSA-N 1 2 297.315 -2.258 20 0 CAADLO O=C(NCCn1cc[nH+]c1)N1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC001337856799 885724905 /nfs/dbraw/zinc/72/49/05/885724905.db2.gz ONZYAPZCFTYXFJ-VIFPVBQESA-N 1 2 292.299 -1.171 20 0 CAADLO NC(=O)C(=O)NC[C@H](CO)NC(=O)CCn1cc[nH+]c1 ZINC001337839761 885725283 /nfs/dbraw/zinc/72/52/83/885725283.db2.gz MPDVTLCVXIXKLO-MRVPVSSYSA-N 1 2 283.288 -2.648 20 0 CAADLO CN(C[C@@H](O)CNC(=O)Cn1cc[nH+]c1)C(=O)CC(N)=O ZINC001338456020 885746305 /nfs/dbraw/zinc/74/63/05/885746305.db2.gz JKEAVHASLTXPRK-VIFPVBQESA-N 1 2 297.315 -2.306 20 0 CAADLO C[C@H]1COCC[N@@H+]1CCNC(=O)N[C@@H]1CNOC1 ZINC001338522091 885750776 /nfs/dbraw/zinc/75/07/76/885750776.db2.gz SKPDJANGSTYVQP-VHSXEESVSA-N 1 2 258.322 -1.090 20 0 CAADLO C[C@H]1COCC[N@H+]1CCNC(=O)N[C@@H]1CNOC1 ZINC001338522091 885750784 /nfs/dbraw/zinc/75/07/84/885750784.db2.gz SKPDJANGSTYVQP-VHSXEESVSA-N 1 2 258.322 -1.090 20 0 CAADLO CN(C[C@H](O)CN(C)C(=O)C(N)=O)C(=O)Cn1cc[nH+]c1 ZINC001338664322 885753734 /nfs/dbraw/zinc/75/37/34/885753734.db2.gz JCQBTDKXASJOHX-VIFPVBQESA-N 1 2 297.315 -2.354 20 0 CAADLO C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)NCCc1nc[nH]n1 ZINC001339085422 885762345 /nfs/dbraw/zinc/76/23/45/885762345.db2.gz CYQBRKYBYQWCBW-KCJUWKMLSA-N 1 2 253.306 -1.082 20 0 CAADLO C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)NCCc1nc[nH]n1 ZINC001339085422 885762357 /nfs/dbraw/zinc/76/23/57/885762357.db2.gz CYQBRKYBYQWCBW-KCJUWKMLSA-N 1 2 253.306 -1.082 20 0 CAADLO CN(CC(N)=O)c1cc(N(C)CC(N)=O)[nH+]cn1 ZINC001339024480 885762550 /nfs/dbraw/zinc/76/25/50/885762550.db2.gz IOCUSMHRFWILOD-UHFFFAOYSA-N 1 2 252.278 -1.680 20 0 CAADLO NC(=O)C[N@@H+]1CCCN(c2nccc(CO)n2)CC1 ZINC001339024879 885763009 /nfs/dbraw/zinc/76/30/09/885763009.db2.gz PRWZXQYZAMZAEZ-UHFFFAOYSA-N 1 2 265.317 -1.034 20 0 CAADLO NC(=O)C[N@H+]1CCCN(c2nccc(CO)n2)CC1 ZINC001339024879 885763016 /nfs/dbraw/zinc/76/30/16/885763016.db2.gz PRWZXQYZAMZAEZ-UHFFFAOYSA-N 1 2 265.317 -1.034 20 0 CAADLO C[C@H](NC(=O)[C@@H]1CC(=O)N1)[C@H]1CN(C)CC[N@@H+]1C ZINC001339088513 885767721 /nfs/dbraw/zinc/76/77/21/885767721.db2.gz WGEYYNMCUNEGAA-LPEHRKFASA-N 1 2 254.334 -1.375 20 0 CAADLO C[C@H](NC(=O)[C@@H]1CC(=O)N1)[C@H]1CN(C)CC[N@H+]1C ZINC001339088513 885767737 /nfs/dbraw/zinc/76/77/37/885767737.db2.gz WGEYYNMCUNEGAA-LPEHRKFASA-N 1 2 254.334 -1.375 20 0 CAADLO NC(=O)C(=O)N1CCO[C@@H](C[NH+]2CCOCC2)C1 ZINC001339700694 885776727 /nfs/dbraw/zinc/77/67/27/885776727.db2.gz JLCZXXJTRLPDLL-VIFPVBQESA-N 1 2 257.290 -1.969 20 0 CAADLO C[C@H](C(=O)NCC[N@H+](C)CCOCCO)S(C)(=O)=O ZINC001339882267 885780665 /nfs/dbraw/zinc/78/06/65/885780665.db2.gz QLVBXBQRJHNJKG-SNVBAGLBSA-N 1 2 296.389 -1.524 20 0 CAADLO C[C@H](C(=O)NCC[N@@H+](C)CCOCCO)S(C)(=O)=O ZINC001339882267 885780679 /nfs/dbraw/zinc/78/06/79/885780679.db2.gz QLVBXBQRJHNJKG-SNVBAGLBSA-N 1 2 296.389 -1.524 20 0 CAADLO C[C@@H](C(=O)NCC[N@H+](C)CCOCCO)S(C)(=O)=O ZINC001339882266 885781321 /nfs/dbraw/zinc/78/13/21/885781321.db2.gz QLVBXBQRJHNJKG-JTQLQIEISA-N 1 2 296.389 -1.524 20 0 CAADLO C[C@@H](C(=O)NCC[N@@H+](C)CCOCCO)S(C)(=O)=O ZINC001339882266 885781326 /nfs/dbraw/zinc/78/13/26/885781326.db2.gz QLVBXBQRJHNJKG-JTQLQIEISA-N 1 2 296.389 -1.524 20 0 CAADLO O=C(NCCCn1cc[nH+]c1)[C@H]1CNCCS1(=O)=O ZINC001340013925 885788354 /nfs/dbraw/zinc/78/83/54/885788354.db2.gz YUBVMYLFQQKJSL-SNVBAGLBSA-N 1 2 286.357 -1.224 20 0 CAADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@H]1CN(C)C(=O)CN1 ZINC001340171066 885793667 /nfs/dbraw/zinc/79/36/67/885793667.db2.gz AGQDOXBZCOKVEH-VHSXEESVSA-N 1 2 265.317 -1.182 20 0 CAADLO CCN(C(=O)Cc1c[nH+]c[nH]1)[C@H](C)CNC(=O)C(N)=O ZINC001340170219 885796007 /nfs/dbraw/zinc/79/60/07/885796007.db2.gz ZWOLDEGTLUGXQG-MRVPVSSYSA-N 1 2 281.316 -1.209 20 0 CAADLO NOCC(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001340221772 885799090 /nfs/dbraw/zinc/79/90/90/885799090.db2.gz FRHQBVZVEKMJOD-SNVBAGLBSA-N 1 2 286.332 -2.074 20 0 CAADLO O=C(NCCn1cc[nH+]c1)C(=O)N[C@H]1[C@@H]2COC[C@@H]21 ZINC001340227570 885799576 /nfs/dbraw/zinc/79/95/76/885799576.db2.gz OUFNKCABIJNQHH-MYJAWHEDSA-N 1 2 264.285 -1.240 20 0 CAADLO CN1C[C@@H](C(=O)NCCc2[nH]cc[nH+]2)NCC1=O ZINC001340866009 885817430 /nfs/dbraw/zinc/81/74/30/885817430.db2.gz WINRWBUPAJDIAK-QMMMGPOBSA-N 1 2 251.290 -1.501 20 0 CAADLO C[C@H](C(=O)N1CC[C@@](O)(C(N)=O)C1)n1cc[nH+]c1 ZINC001341031777 885824511 /nfs/dbraw/zinc/82/45/11/885824511.db2.gz QUYAYBFKYDFGMH-KCJUWKMLSA-N 1 2 252.274 -1.107 20 0 CAADLO O=C(CN1CC[NH2+]CC1=O)N[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001341506887 885841637 /nfs/dbraw/zinc/84/16/37/885841637.db2.gz VDJZSAQWLXIQHH-DUYQIWHPSA-N 1 2 265.313 -1.290 20 0 CAADLO CC(=O)N1C[C@@H](O)[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001341647666 885848945 /nfs/dbraw/zinc/84/89/45/885848945.db2.gz ZUXKRCYNIQRPJU-GHMZBOCLSA-N 1 2 266.301 -1.019 20 0 CAADLO O=C([O-])[C@]1(C(=O)N2CC[NH+](C3CC3)CC2)C[NH2+]CCO1 ZINC001341645077 885850429 /nfs/dbraw/zinc/85/04/29/885850429.db2.gz KIGDZERQCBSYGQ-CYBMUJFWSA-N 1 2 283.328 -1.264 20 0 CAADLO O=C1CNC(=O)N1CC[N@@H+]1CCN2C(=O)NC(=O)[C@H]2C1 ZINC001341945295 885863786 /nfs/dbraw/zinc/86/37/86/885863786.db2.gz MIYABBWEZKIYPC-SSDOTTSWSA-N 1 2 281.272 -2.226 20 0 CAADLO O=C1CNC(=O)N1CC[N@H+]1CCN2C(=O)NC(=O)[C@H]2C1 ZINC001341945295 885863800 /nfs/dbraw/zinc/86/38/00/885863800.db2.gz MIYABBWEZKIYPC-SSDOTTSWSA-N 1 2 281.272 -2.226 20 0 CAADLO CCOCCOCCNC(=O)[C@@H](C)N1CC[NH2+]CC1=O ZINC001341970131 885864951 /nfs/dbraw/zinc/86/49/51/885864951.db2.gz PBPZPCJLBQVJJR-LLVKDONJSA-N 1 2 287.360 -1.024 20 0 CAADLO COC(C[N@@H+]1CCN2[C@H](CNS2(=O)=O)C1)OC ZINC001342117240 885872340 /nfs/dbraw/zinc/87/23/40/885872340.db2.gz JWFBSXFPYXLJQD-MRVPVSSYSA-N 1 2 265.335 -1.561 20 0 CAADLO COC(C[N@H+]1CCN2[C@H](CNS2(=O)=O)C1)OC ZINC001342117240 885872351 /nfs/dbraw/zinc/87/23/51/885872351.db2.gz JWFBSXFPYXLJQD-MRVPVSSYSA-N 1 2 265.335 -1.561 20 0 CAADLO C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N1CC[NH2+]C[C@H]1CO ZINC001342357317 885882168 /nfs/dbraw/zinc/88/21/68/885882168.db2.gz LQEKWIBDYNJPLX-WOPDTQHZSA-N 1 2 268.361 -1.833 20 0 CAADLO C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N1CC[NH2+]C[C@H]1CO ZINC001342357269 885883179 /nfs/dbraw/zinc/88/31/79/885883179.db2.gz LQEKWIBDYNJPLX-GRYCIOLGSA-N 1 2 268.361 -1.833 20 0 CAADLO C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N1CC[NH2+]C[C@@H]1CO ZINC001342357270 885883231 /nfs/dbraw/zinc/88/32/31/885883231.db2.gz LQEKWIBDYNJPLX-IJLUTSLNSA-N 1 2 268.361 -1.833 20 0 CAADLO C[C@]1(NC(=O)CN2CC[NH2+]CC2=O)CCOC1=O ZINC001343689417 885923167 /nfs/dbraw/zinc/92/31/67/885923167.db2.gz ATYSPZRKKNDFOS-NSHDSACASA-N 1 2 255.274 -1.760 20 0 CAADLO C[C@@]1(NC(=O)CN2CC[NH2+]CC2=O)CCOC1=O ZINC001343689406 885923338 /nfs/dbraw/zinc/92/33/38/885923338.db2.gz ATYSPZRKKNDFOS-LLVKDONJSA-N 1 2 255.274 -1.760 20 0 CAADLO CN(C[C@@H]1CCN1C(=O)Cc1[nH]cc[nH+]1)C(=O)CC(N)=O ZINC001344149730 885937228 /nfs/dbraw/zinc/93/72/28/885937228.db2.gz MTPXCZPXLIZQMR-VIFPVBQESA-N 1 2 293.327 -1.113 20 0 CAADLO CN(C[C@H]1CCN1C(=O)Cc1[nH]cc[nH+]1)C(=O)CC(N)=O ZINC001344149729 885937701 /nfs/dbraw/zinc/93/77/01/885937701.db2.gz MTPXCZPXLIZQMR-SECBINFHSA-N 1 2 293.327 -1.113 20 0 CAADLO Cc1[nH+]c[nH]c1CC(=O)NC[C@H]1C[C@@H](NC(=O)C(N)=O)C1 ZINC001344223857 885938063 /nfs/dbraw/zinc/93/80/63/885938063.db2.gz SWDYTLPEDRCHSG-DTORHVGOSA-N 1 2 293.327 -1.243 20 0 CAADLO CC[NH+]1CCN(C(=O)C(=O)N2CCNC(=O)CC2)CC1 ZINC001344766834 885949723 /nfs/dbraw/zinc/94/97/23/885949723.db2.gz TZJJRCJQVLOPAA-UHFFFAOYSA-N 1 2 282.344 -1.501 20 0 CAADLO CC[NH+]1CCN(C(=O)C(=O)N2CCN(C)C(=O)[C@@H]2C)CC1 ZINC001344775017 885952737 /nfs/dbraw/zinc/95/27/37/885952737.db2.gz AEWXJJDRMVBCNO-NSHDSACASA-N 1 2 296.371 -1.160 20 0 CAADLO C[NH+]1CCN(C(=O)C(=O)N2CC(F)(F)C[C@@H]2CO)CC1 ZINC001344965117 885953091 /nfs/dbraw/zinc/95/30/91/885953091.db2.gz SMEPCLBYTKGFRC-SECBINFHSA-N 1 2 291.298 -1.011 20 0 CAADLO CC[NH+]1CCN(C(=O)C(=O)N2CCOC[C@@H]2CCO)CC1 ZINC001345873915 885973826 /nfs/dbraw/zinc/97/38/26/885973826.db2.gz QXROZDIFBUFTDO-LBPRGKRZSA-N 1 2 299.371 -1.240 20 0 CAADLO CC[NH+]1CCN(C(=O)C(=O)N2CCOC[C@H]2CCO)CC1 ZINC001345873900 885974049 /nfs/dbraw/zinc/97/40/49/885974049.db2.gz QXROZDIFBUFTDO-GFCCVEGCSA-N 1 2 299.371 -1.240 20 0 CAADLO O=C(CN1CCn2c(n[nH]c2=O)C1)N1CC[NH2+]CC1 ZINC001346027821 885980690 /nfs/dbraw/zinc/98/06/90/885980690.db2.gz ICGDVRUPPONTNZ-UHFFFAOYSA-N 1 2 266.305 -1.769 20 0 CAADLO C[C@@H]1C[N@H+](CCNC(=O)CN2C(=O)CCC2=O)CCO1 ZINC001346274765 885995826 /nfs/dbraw/zinc/99/58/26/885995826.db2.gz YLQGAJHIROXXDE-SNVBAGLBSA-N 1 2 283.328 -1.028 20 0 CAADLO COCCNC(=O)CNC(=O)Cc1c[nH+]cn1C ZINC001346456466 886003458 /nfs/dbraw/zinc/00/34/58/886003458.db2.gz XENJLLCWGLJPDB-UHFFFAOYSA-N 1 2 254.290 -1.159 20 0 CAADLO Cn1nnc(CNC(=O)C(=O)N2CC[NH+](C3CC3)CC2)n1 ZINC001346519212 886009795 /nfs/dbraw/zinc/00/97/95/886009795.db2.gz UPXMJOYYACGYRL-UHFFFAOYSA-N 1 2 293.331 -1.867 20 0 CAADLO CCOC(=O)[C@H](N)C(=O)N[C@@H]1CCC[N@H+](CC(N)=O)C1 ZINC001347157182 886028870 /nfs/dbraw/zinc/02/88/70/886028870.db2.gz IGWYNJONVTYHPC-PSASIEDQSA-N 1 2 286.332 -2.057 20 0 CAADLO CCOC(=O)[C@H](N)C(=O)N[C@@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001347157182 886028876 /nfs/dbraw/zinc/02/88/76/886028876.db2.gz IGWYNJONVTYHPC-PSASIEDQSA-N 1 2 286.332 -2.057 20 0 CAADLO CCOC(=O)[C@@H](N)C(=O)N[C@@H]1CCC[N@H+](CC(N)=O)C1 ZINC001347157183 886030653 /nfs/dbraw/zinc/03/06/53/886030653.db2.gz IGWYNJONVTYHPC-SCZZXKLOSA-N 1 2 286.332 -2.057 20 0 CAADLO CCOC(=O)[C@@H](N)C(=O)N[C@@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001347157183 886030672 /nfs/dbraw/zinc/03/06/72/886030672.db2.gz IGWYNJONVTYHPC-SCZZXKLOSA-N 1 2 286.332 -2.057 20 0 CAADLO Cn1c[nH+]c(CCNC(=O)Cn2ncn(C)c2=O)c1 ZINC001347127652 886031107 /nfs/dbraw/zinc/03/11/07/886031107.db2.gz AAQVISMCLDCCQK-UHFFFAOYSA-N 1 2 264.289 -1.326 20 0 CAADLO Cn1nncc1NC(=O)C(=O)N1CC[NH+](C)CC1 ZINC001347349110 886037364 /nfs/dbraw/zinc/03/73/64/886037364.db2.gz YYHMEXBVAYAHAU-UHFFFAOYSA-N 1 2 252.278 -1.472 20 0 CAADLO Cn1cc[nH+]c1CCNC(=O)CN1C(=O)CN(C)C1=O ZINC001347514815 886040548 /nfs/dbraw/zinc/04/05/48/886040548.db2.gz REDWHOFGANTPKU-UHFFFAOYSA-N 1 2 279.300 -1.027 20 0 CAADLO COC[C@@H](C(N)=O)[N@H+](C)CCN1C(=O)CCC1=O ZINC001347647763 886043089 /nfs/dbraw/zinc/04/30/89/886043089.db2.gz OYDVAUXVESBYTL-QMMMGPOBSA-N 1 2 257.290 -1.433 20 0 CAADLO COC[C@@H](C(N)=O)[N@@H+](C)CCN1C(=O)CCC1=O ZINC001347647763 886043100 /nfs/dbraw/zinc/04/31/00/886043100.db2.gz OYDVAUXVESBYTL-QMMMGPOBSA-N 1 2 257.290 -1.433 20 0 CAADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)[C@@H]1CCNC1=O ZINC001347654584 886048659 /nfs/dbraw/zinc/04/86/59/886048659.db2.gz HGXLPFXIBWNWEW-GHMZBOCLSA-N 1 2 285.344 -1.726 20 0 CAADLO C[C@H](NC(=O)Cn1ncnn1)[C@@H]1CN(C)CC[N@@H+]1C ZINC001347789462 886054553 /nfs/dbraw/zinc/05/45/53/886054553.db2.gz YEMZYWRUVJMBOD-UWVGGRQHSA-N 1 2 267.337 -1.576 20 0 CAADLO C[C@H](NC(=O)Cn1ncnn1)[C@@H]1CN(C)CC[N@H+]1C ZINC001347789462 886054561 /nfs/dbraw/zinc/05/45/61/886054561.db2.gz YEMZYWRUVJMBOD-UWVGGRQHSA-N 1 2 267.337 -1.576 20 0 CAADLO COCC[NH+]1CCN(C(=O)C(=O)N2CC[C@@](C)(O)C2)CC1 ZINC001348131137 886061330 /nfs/dbraw/zinc/06/13/30/886061330.db2.gz QZTIIQSJJRVEIH-CQSZACIVSA-N 1 2 299.371 -1.240 20 0 CAADLO COCC[NH+]1CCN(C(=O)C(=O)N2CC[C@](C)(O)C2)CC1 ZINC001348131136 886061988 /nfs/dbraw/zinc/06/19/88/886061988.db2.gz QZTIIQSJJRVEIH-AWEZNQCLSA-N 1 2 299.371 -1.240 20 0 CAADLO CC(=O)NCC(=O)NCCNC(=O)CCc1c[nH]c[nH+]1 ZINC001348347634 886075755 /nfs/dbraw/zinc/07/57/55/886075755.db2.gz MURFCXJZRUTDSR-UHFFFAOYSA-N 1 2 281.316 -1.289 20 0 CAADLO CC(=O)NCC(=O)NCCNC(=O)CCc1c[nH+]c[nH]1 ZINC001348347634 886075768 /nfs/dbraw/zinc/07/57/68/886075768.db2.gz MURFCXJZRUTDSR-UHFFFAOYSA-N 1 2 281.316 -1.289 20 0 CAADLO COC(=O)NCC(=O)NCCNC(=O)CCc1c[nH]c[nH+]1 ZINC001348556317 886093204 /nfs/dbraw/zinc/09/32/04/886093204.db2.gz IIYWBGCRKGWQSP-UHFFFAOYSA-N 1 2 297.315 -1.069 20 0 CAADLO COC(=O)NCC(=O)NCCNC(=O)CCc1c[nH+]c[nH]1 ZINC001348556317 886093223 /nfs/dbraw/zinc/09/32/23/886093223.db2.gz IIYWBGCRKGWQSP-UHFFFAOYSA-N 1 2 297.315 -1.069 20 0 CAADLO Nc1nccnc1C(=O)NCCNC(=O)Cn1cc[nH+]c1 ZINC001348669865 886098295 /nfs/dbraw/zinc/09/82/95/886098295.db2.gz OFGZPIQEECTSOV-UHFFFAOYSA-N 1 2 289.299 -1.199 20 0 CAADLO CCC(=O)NCC(=O)NCCNC(=O)Cc1[nH]cc[nH+]1 ZINC001348648304 886098740 /nfs/dbraw/zinc/09/87/40/886098740.db2.gz LLUDKSZBGQEJAT-UHFFFAOYSA-N 1 2 281.316 -1.289 20 0 CAADLO Cc1c(C(=O)NCCNC(=O)Cc2[nH]cc[nH+]2)nnn1C ZINC001348702073 886101270 /nfs/dbraw/zinc/10/12/70/886101270.db2.gz WALJVZSPDFUCSM-UHFFFAOYSA-N 1 2 291.315 -1.065 20 0 CAADLO O=C(Cc1c[nH]c[nH+]1)NCCNC(=O)[C@H]1COC(=O)N1 ZINC001348895784 886106328 /nfs/dbraw/zinc/10/63/28/886106328.db2.gz ZNFCWZGQXRHFEJ-MRVPVSSYSA-N 1 2 281.272 -1.707 20 0 CAADLO Cc1[nH+]c[nH]c1CC(=O)NCCNC(=O)Cn1ncnn1 ZINC001349065192 886112433 /nfs/dbraw/zinc/11/24/33/886112433.db2.gz OALOIHUPAMXCNT-UHFFFAOYSA-N 1 2 292.303 -1.820 20 0 CAADLO C[S@@](=O)CC[N@@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC001349082721 886113519 /nfs/dbraw/zinc/11/35/19/886113519.db2.gz YRYQBWBGLJLUGS-XLKFXECMSA-N 1 2 254.377 -1.012 20 0 CAADLO C[S@@](=O)CC[N@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC001349082721 886113522 /nfs/dbraw/zinc/11/35/22/886113522.db2.gz YRYQBWBGLJLUGS-XLKFXECMSA-N 1 2 254.377 -1.012 20 0 CAADLO Cn1c[nH+]cc1CC(=O)NCCNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001349380418 886126286 /nfs/dbraw/zinc/12/62/86/886126286.db2.gz YXQGATWDOLESPM-ZJUUUORDSA-N 1 2 293.327 -1.684 20 0 CAADLO CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)C(=O)c1cnn(C)c1 ZINC001349386574 886126316 /nfs/dbraw/zinc/12/63/16/886126316.db2.gz QTMCLFUVMRZVAA-SNVBAGLBSA-N 1 2 294.311 -1.034 20 0 CAADLO Cc1[nH+]c[nH]c1CC(=O)NCCNC(=O)[C@H]1CCNC1=O ZINC001349432083 886127537 /nfs/dbraw/zinc/12/75/37/886127537.db2.gz QYWQKSJIQQEYHK-VIFPVBQESA-N 1 2 293.327 -1.371 20 0 CAADLO Cc1[nH+]c[nH]c1CC(=O)NCCNC(=O)[C@@H]1CCNC1=O ZINC001349432082 886129239 /nfs/dbraw/zinc/12/92/39/886129239.db2.gz QYWQKSJIQQEYHK-SECBINFHSA-N 1 2 293.327 -1.371 20 0 CAADLO COC(=O)CN1CC[NH+](CCN2C(=O)CCC2=O)CC1 ZINC001349658773 886141139 /nfs/dbraw/zinc/14/11/39/886141139.db2.gz PWLRMPDQIQMELQ-UHFFFAOYSA-N 1 2 283.328 -1.074 20 0 CAADLO CC(=O)NCC(=O)NCCCNC(=O)Cc1c[nH+]cn1C ZINC001349621230 886141205 /nfs/dbraw/zinc/14/12/05/886141205.db2.gz ZPEAHRWPMYWXFA-UHFFFAOYSA-N 1 2 295.343 -1.279 20 0 CAADLO COCCOC[C@@H](O)C[N@@H+]1C[C@H](O)C[C@@H]1C(=O)OC ZINC001349688865 886144899 /nfs/dbraw/zinc/14/48/99/886144899.db2.gz UPWOWYLYPTZCSB-OUAUKWLOSA-N 1 2 277.317 -1.382 20 0 CAADLO COCCOC[C@@H](O)C[N@H+]1C[C@H](O)C[C@@H]1C(=O)OC ZINC001349688865 886144903 /nfs/dbraw/zinc/14/49/03/886144903.db2.gz UPWOWYLYPTZCSB-OUAUKWLOSA-N 1 2 277.317 -1.382 20 0 CAADLO O=C1CNC(=O)N1CC[N@@H+]1CCO[C@H](Cn2ccnn2)C1 ZINC001349672913 886145196 /nfs/dbraw/zinc/14/51/96/886145196.db2.gz IWTCFMGZEVARFN-JTQLQIEISA-N 1 2 294.315 -1.469 20 0 CAADLO O=C1CNC(=O)N1CC[N@H+]1CCO[C@H](Cn2ccnn2)C1 ZINC001349672913 886145202 /nfs/dbraw/zinc/14/52/02/886145202.db2.gz IWTCFMGZEVARFN-JTQLQIEISA-N 1 2 294.315 -1.469 20 0 CAADLO NC(=O)[C@]1([NH2+]CC(=O)Nc2ccon2)CCOC1 ZINC001349770812 886147094 /nfs/dbraw/zinc/14/70/94/886147094.db2.gz DHTVOWLOCDZGQD-JTQLQIEISA-N 1 2 254.246 -1.153 20 0 CAADLO CNC(=O)CCNS(=O)(=O)CCn1cc[nH+]c1 ZINC001349768223 886147291 /nfs/dbraw/zinc/14/72/91/886147291.db2.gz VLDMGZDONDVIRI-UHFFFAOYSA-N 1 2 260.319 -1.061 20 0 CAADLO O=C(Cc1[nH]cc[nH+]1)NCCCNC(=O)[C@H]1CCC(=O)N1 ZINC001349810433 886149835 /nfs/dbraw/zinc/14/98/35/886149835.db2.gz DDOYPFGWHCRVIR-SECBINFHSA-N 1 2 293.327 -1.147 20 0 CAADLO C[NH+](C)CC(=O)N1CC[NH+](C[C@@H]2CNC(=O)C2)CC1 ZINC001350357394 886167448 /nfs/dbraw/zinc/16/74/48/886167448.db2.gz CXJJMMHWTNOUMH-NSHDSACASA-N 1 2 268.361 -1.172 20 0 CAADLO C[NH+](C)CC(=O)N1CCN(C[C@@H]2CNC(=O)C2)CC1 ZINC001350357394 886167455 /nfs/dbraw/zinc/16/74/55/886167455.db2.gz CXJJMMHWTNOUMH-NSHDSACASA-N 1 2 268.361 -1.172 20 0 CAADLO CNC(=O)CC(=O)N[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001350598909 886177284 /nfs/dbraw/zinc/17/72/84/886177284.db2.gz JLIZHFWHVLREFL-SECBINFHSA-N 1 2 293.327 -1.195 20 0 CAADLO C/C=C/[C@H](O)C(=O)N[C@H]1CCC[N@H+](CC(N)=O)C1 ZINC001350585412 886177777 /nfs/dbraw/zinc/17/77/77/886177777.db2.gz KIEVREYYVCPUSY-BMRYVVEKSA-N 1 2 255.318 -1.011 20 0 CAADLO C/C=C/[C@H](O)C(=O)N[C@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001350585412 886177787 /nfs/dbraw/zinc/17/77/87/886177787.db2.gz KIEVREYYVCPUSY-BMRYVVEKSA-N 1 2 255.318 -1.011 20 0 CAADLO CN(C(=O)CCc1[nH]cc[nH+]1)[C@@H]1CCN(C(=O)C(N)=O)C1 ZINC001350743450 886183112 /nfs/dbraw/zinc/18/31/12/886183112.db2.gz JYEXXQRVAJBWDX-SECBINFHSA-N 1 2 293.327 -1.113 20 0 CAADLO O=C(CO)NCCC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC001350729467 886184011 /nfs/dbraw/zinc/18/40/11/886184011.db2.gz WYVXVIAXXJEPIA-SECBINFHSA-N 1 2 266.301 -1.187 20 0 CAADLO CC(=O)N1CC[C@@H](NC(=O)CN2CC[NH2+]CC2=O)C1 ZINC001351163473 886199802 /nfs/dbraw/zinc/19/98/02/886199802.db2.gz PEESLAROTZHZMX-SNVBAGLBSA-N 1 2 268.317 -1.845 20 0 CAADLO COC(=O)[C@@H](O)CCNC(=O)/C=C/C[NH+]1CCOCC1 ZINC001351156476 886201364 /nfs/dbraw/zinc/20/13/64/886201364.db2.gz KYVYVUDBHFKASP-VUDBWIFFSA-N 1 2 286.328 -1.085 20 0 CAADLO CCOC(=O)C[C@H](O)C[N@@H+]1C[C@H](O)C[C@H]1C(N)=O ZINC001351421770 886206954 /nfs/dbraw/zinc/20/69/54/886206954.db2.gz JGMKENAMUYLXSB-VGMNWLOBSA-N 1 2 260.290 -1.779 20 0 CAADLO CCOC(=O)C[C@H](O)C[N@H+]1C[C@H](O)C[C@H]1C(N)=O ZINC001351421770 886206968 /nfs/dbraw/zinc/20/69/68/886206968.db2.gz JGMKENAMUYLXSB-VGMNWLOBSA-N 1 2 260.290 -1.779 20 0 CAADLO C[N@H+](Cc1nc(N)nc(N)n1)[C@H]1C[C@@H](C(N)=O)C1 ZINC001351486676 886207265 /nfs/dbraw/zinc/20/72/65/886207265.db2.gz GREYTGGSYXQBFX-OLQVQODUSA-N 1 2 251.294 -1.268 20 0 CAADLO NC(=O)C[C@H]1C[N@H+](CCN2C(=O)CNC2=O)CCO1 ZINC001351488180 886207699 /nfs/dbraw/zinc/20/76/99/886207699.db2.gz VESJGVAHOMDYFB-QMMMGPOBSA-N 1 2 270.289 -1.886 20 0 CAADLO NC(=O)C[C@H]1C[N@@H+](CCN2C(=O)CNC2=O)CCO1 ZINC001351488180 886207715 /nfs/dbraw/zinc/20/77/15/886207715.db2.gz VESJGVAHOMDYFB-QMMMGPOBSA-N 1 2 270.289 -1.886 20 0 CAADLO CCOC(=O)C[C@@H](O)C[N@@H+]1C[C@H](O)C[C@H]1C(N)=O ZINC001351421762 886209227 /nfs/dbraw/zinc/20/92/27/886209227.db2.gz JGMKENAMUYLXSB-HLTSFMKQSA-N 1 2 260.290 -1.779 20 0 CAADLO CCOC(=O)C[C@@H](O)C[N@H+]1C[C@H](O)C[C@H]1C(N)=O ZINC001351421762 886209246 /nfs/dbraw/zinc/20/92/46/886209246.db2.gz JGMKENAMUYLXSB-HLTSFMKQSA-N 1 2 260.290 -1.779 20 0 CAADLO CN(CCCNC(=O)Cn1cc[nH+]c1)C(=O)C(N)=O ZINC001351653773 886223069 /nfs/dbraw/zinc/22/30/69/886223069.db2.gz DMZCAMVZSDFEKM-UHFFFAOYSA-N 1 2 267.289 -1.667 20 0 CAADLO C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)NN1CC(=O)N(C)C1=O ZINC001351720435 886226120 /nfs/dbraw/zinc/22/61/20/886226120.db2.gz PKHJDOXZLWYJDS-BDAKNGLRSA-N 1 2 281.316 -1.700 20 0 CAADLO C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)NN1CC(=O)N(C)C1=O ZINC001351720435 886226143 /nfs/dbraw/zinc/22/61/43/886226143.db2.gz PKHJDOXZLWYJDS-BDAKNGLRSA-N 1 2 281.316 -1.700 20 0 CAADLO CN(CCCNC(=O)C(N)=O)C(=O)Cc1c[nH+]cn1C ZINC001351873526 886230882 /nfs/dbraw/zinc/23/08/82/886230882.db2.gz NIJUKUMFESMDHB-UHFFFAOYSA-N 1 2 281.316 -1.587 20 0 CAADLO CC(=O)N1CC[NH+](CCNC(=O)CC(N)=O)CC1 ZINC001352692451 886242283 /nfs/dbraw/zinc/24/22/83/886242283.db2.gz KIYBCKGZTNPWIS-UHFFFAOYSA-N 1 2 256.306 -1.858 20 0 CAADLO C[N@H+](CCO)Cc1cn(CCN2C(=O)CCC2=O)nn1 ZINC001352982670 886254608 /nfs/dbraw/zinc/25/46/08/886254608.db2.gz CVKYIGSPPQXWRB-UHFFFAOYSA-N 1 2 281.316 -1.149 20 0 CAADLO C[N@@H+](CCO)Cc1cn(CCN2C(=O)CCC2=O)nn1 ZINC001352982670 886254629 /nfs/dbraw/zinc/25/46/29/886254629.db2.gz CVKYIGSPPQXWRB-UHFFFAOYSA-N 1 2 281.316 -1.149 20 0 CAADLO CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)[C@@H]1OCCN(C)C1=O ZINC001353002680 886255151 /nfs/dbraw/zinc/25/51/51/886255151.db2.gz ADVVSWJUQLZRES-NXEZZACHSA-N 1 2 299.327 -1.793 20 0 CAADLO NC(=O)CC(=O)NC[C@H](NC(=O)Cn1cc[nH+]c1)C1CC1 ZINC001353076679 886260071 /nfs/dbraw/zinc/26/00/71/886260071.db2.gz PFJQZVOXTMKNLO-JTQLQIEISA-N 1 2 293.327 -1.231 20 0 CAADLO NC(=O)C(=O)N[C@H](CNC(=O)CCn1cc[nH+]c1)C1CC1 ZINC001353155279 886262584 /nfs/dbraw/zinc/26/25/84/886262584.db2.gz LNDVUXXSXFXOGM-SNVBAGLBSA-N 1 2 293.327 -1.231 20 0 CAADLO NC(=O)C(=O)N[C@@H](CNC(=O)CCn1cc[nH+]c1)C1CC1 ZINC001353155278 886264874 /nfs/dbraw/zinc/26/48/74/886264874.db2.gz LNDVUXXSXFXOGM-JTQLQIEISA-N 1 2 293.327 -1.231 20 0 CAADLO Cn1c[nH+]cc1CC(=O)N[C@H](CNC(=O)C(N)=O)C1CC1 ZINC001353195895 886266046 /nfs/dbraw/zinc/26/60/46/886266046.db2.gz XUPWIOYCARITIN-SNVBAGLBSA-N 1 2 293.327 -1.541 20 0 CAADLO Cn1c[nH+]cc1CC(=O)N[C@@H](CNC(=O)C(N)=O)C1CC1 ZINC001353195894 886266812 /nfs/dbraw/zinc/26/68/12/886266812.db2.gz XUPWIOYCARITIN-JTQLQIEISA-N 1 2 293.327 -1.541 20 0 CAADLO C[C@@H](NC(=O)Cn1cnnn1)[C@H]1CN(C)CC[N@@H+]1C ZINC001353888439 886293525 /nfs/dbraw/zinc/29/35/25/886293525.db2.gz VGZGOMQZSSPDKC-NXEZZACHSA-N 1 2 267.337 -1.576 20 0 CAADLO C[C@@H](NC(=O)Cn1cnnn1)[C@H]1CN(C)CC[N@H+]1C ZINC001353888439 886293543 /nfs/dbraw/zinc/29/35/43/886293543.db2.gz VGZGOMQZSSPDKC-NXEZZACHSA-N 1 2 267.337 -1.576 20 0 CAADLO COC(=O)COCC(=O)N1CC[N@H+](C)C[C@@H]1CO ZINC001354102652 886296292 /nfs/dbraw/zinc/29/62/92/886296292.db2.gz SSAODCVTPYEBPA-SECBINFHSA-N 1 2 260.290 -1.689 20 0 CAADLO COC(=O)COCC(=O)N1CC[N@@H+](C)C[C@@H]1CO ZINC001354102652 886296308 /nfs/dbraw/zinc/29/63/08/886296308.db2.gz SSAODCVTPYEBPA-SECBINFHSA-N 1 2 260.290 -1.689 20 0 CAADLO C[N@@H+]1CCN(C(=O)c2cc(CO)on2)C[C@@H]1CO ZINC001354111465 886300612 /nfs/dbraw/zinc/30/06/12/886300612.db2.gz OLCOHACDCMJPPT-MRVPVSSYSA-N 1 2 255.274 -1.085 20 0 CAADLO C[N@H+]1CCN(C(=O)c2cc(CO)on2)C[C@@H]1CO ZINC001354111465 886300619 /nfs/dbraw/zinc/30/06/19/886300619.db2.gz OLCOHACDCMJPPT-MRVPVSSYSA-N 1 2 255.274 -1.085 20 0 CAADLO C[C@@H](CNC(=O)[C@H]1CCc2[nH+]ccn2C1)NC(=O)C(N)=O ZINC001354504853 886313250 /nfs/dbraw/zinc/31/32/50/886313250.db2.gz FFZDUVQHMJSVGS-IUCAKERBSA-N 1 2 293.327 -1.448 20 0 CAADLO C[C@@H](CNC(=O)[C@@H]1CCc2[nH+]ccn2C1)NC(=O)C(N)=O ZINC001354504851 886314814 /nfs/dbraw/zinc/31/48/14/886314814.db2.gz FFZDUVQHMJSVGS-DTWKUNHWSA-N 1 2 293.327 -1.448 20 0 CAADLO C[C@H](CNC(=O)Cc1c[nH+]cn1C)NC(=O)CC(N)=O ZINC001354578666 886316678 /nfs/dbraw/zinc/31/66/78/886316678.db2.gz VZSFTVIMIYFUPQ-MRVPVSSYSA-N 1 2 281.316 -1.541 20 0 CAADLO C[C@H](CNC(=O)CCc1c[nH+]cn1C)NC(=O)C(N)=O ZINC001354637692 886318657 /nfs/dbraw/zinc/31/86/57/886318657.db2.gz GSDAXIBDWTUPQQ-MRVPVSSYSA-N 1 2 281.316 -1.541 20 0 CAADLO C[C@H](CNC(=O)Cc1[nH]cc[nH+]1)NC(=O)CC(N)=O ZINC001354676908 886321350 /nfs/dbraw/zinc/32/13/50/886321350.db2.gz WJXFBLKJNLQMQJ-SSDOTTSWSA-N 1 2 267.289 -1.552 20 0 CAADLO NC(=O)C(=O)NC[C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001354877319 886325504 /nfs/dbraw/zinc/32/55/04/886325504.db2.gz DPGCOAWLQSFLIT-VIFPVBQESA-N 1 2 293.327 -1.208 20 0 CAADLO NC(=O)C(=O)NC[C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001354877319 886325524 /nfs/dbraw/zinc/32/55/24/886325524.db2.gz DPGCOAWLQSFLIT-VIFPVBQESA-N 1 2 293.327 -1.208 20 0 CAADLO NC(=O)C(=O)N1CC[C@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001354934422 886330461 /nfs/dbraw/zinc/33/04/61/886330461.db2.gz INTLLDNDMPZJFX-MRVPVSSYSA-N 1 2 279.300 -1.598 20 0 CAADLO COC(=O)Cn1cc(C[NH2+][C@@]2(C)CCNC2=O)nn1 ZINC001355370473 886337334 /nfs/dbraw/zinc/33/73/34/886337334.db2.gz LRAFFWBQCFCKCD-NSHDSACASA-N 1 2 267.289 -1.181 20 0 CAADLO COC(=O)Cn1cc(C[NH2+][C@]2(C)CCNC2=O)nn1 ZINC001355370459 886338240 /nfs/dbraw/zinc/33/82/40/886338240.db2.gz LRAFFWBQCFCKCD-LLVKDONJSA-N 1 2 267.289 -1.181 20 0 CAADLO CN(CCNC(=O)C(N)=O)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001355867477 886348225 /nfs/dbraw/zinc/34/82/25/886348225.db2.gz VHFKLQCYLOLUKD-UHFFFAOYSA-N 1 2 281.316 -1.253 20 0 CAADLO C[NH+]1CCN(C(=O)C(=O)N2CCOC[C@H]2CCO)CC1 ZINC001356415279 886363830 /nfs/dbraw/zinc/36/38/30/886363830.db2.gz ADFZXBWJHZJBLI-LLVKDONJSA-N 1 2 285.344 -1.630 20 0 CAADLO NC(=O)C(=O)NC[C@@H]1CCCN1C(=O)CCn1cc[nH+]c1 ZINC001356394917 886363991 /nfs/dbraw/zinc/36/39/91/886363991.db2.gz OYZJERQFFPQJMK-JTQLQIEISA-N 1 2 293.327 -1.134 20 0 CAADLO CCN(CCC(=O)NC)C(=O)C(=O)N1CC[NH+](C)CC1 ZINC001356399485 886364647 /nfs/dbraw/zinc/36/46/47/886364647.db2.gz XCUULBKXRLHVKX-UHFFFAOYSA-N 1 2 284.360 -1.255 20 0 CAADLO NC(=O)CC(=O)NCCN(C(=O)Cn1cc[nH+]c1)C1CC1 ZINC001356583564 886371910 /nfs/dbraw/zinc/37/19/10/886371910.db2.gz ADSZZFDHIARLOV-UHFFFAOYSA-N 1 2 293.327 -1.134 20 0 CAADLO CN(C[C@@H]1CCN(C(=O)C(N)=O)C1)C(=O)Cn1cc[nH+]c1 ZINC001356717967 886374562 /nfs/dbraw/zinc/37/45/62/886374562.db2.gz DLBLGVQAJXJXCT-JTQLQIEISA-N 1 2 293.327 -1.325 20 0 CAADLO CN(C[C@H]1CCN(C(=O)C(N)=O)C1)C(=O)Cn1cc[nH+]c1 ZINC001356717968 886375678 /nfs/dbraw/zinc/37/56/78/886375678.db2.gz DLBLGVQAJXJXCT-SNVBAGLBSA-N 1 2 293.327 -1.325 20 0 CAADLO C[C@@H](CNC(=O)C(N)=O)CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001357026151 886392414 /nfs/dbraw/zinc/39/24/14/886392414.db2.gz QKSXKRJAQACYGN-BDAKNGLRSA-N 1 2 295.343 -1.058 20 0 CAADLO C[C@@H](CNC(=O)C(N)=O)CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001357026151 886392433 /nfs/dbraw/zinc/39/24/33/886392433.db2.gz QKSXKRJAQACYGN-BDAKNGLRSA-N 1 2 295.343 -1.058 20 0 CAADLO C[C@@H](CNC(=O)C(N)=O)CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001357026154 886393908 /nfs/dbraw/zinc/39/39/08/886393908.db2.gz QKSXKRJAQACYGN-RKDXNWHRSA-N 1 2 295.343 -1.058 20 0 CAADLO C[C@@H](CNC(=O)C(N)=O)CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001357026154 886393925 /nfs/dbraw/zinc/39/39/25/886393925.db2.gz QKSXKRJAQACYGN-RKDXNWHRSA-N 1 2 295.343 -1.058 20 0 CAADLO CC(C)[C@H](CNC(=O)Cn1cc[nH+]c1)NC(=O)C(N)=O ZINC001357103101 886397211 /nfs/dbraw/zinc/39/72/11/886397211.db2.gz CAZKMUIVMCAWOQ-VIFPVBQESA-N 1 2 281.316 -1.375 20 0 CAADLO CCC(=O)NC[C@H](O)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001357361141 886399072 /nfs/dbraw/zinc/39/90/72/886399072.db2.gz KUQDLNZNACQALF-QMMMGPOBSA-N 1 2 254.290 -1.045 20 0 CAADLO NC(=O)C(=O)N[C@H]1CCC[C@@H]1CNC(=O)Cc1c[nH]c[nH+]1 ZINC001357357941 886401009 /nfs/dbraw/zinc/40/10/09/886401009.db2.gz YCVRQKALQUPWGU-SCZZXKLOSA-N 1 2 293.327 -1.161 20 0 CAADLO CN(CC[NH+]1CCOCC1)C(=O)N[C@@H]1CNOC1 ZINC001357609093 886412956 /nfs/dbraw/zinc/41/29/56/886412956.db2.gz CHDVMJVFMQGIIE-SNVBAGLBSA-N 1 2 258.322 -1.137 20 0 CAADLO C[C@H](CNC(=O)CC(N)=O)NC(=O)Cc1c[nH]c[nH+]1 ZINC001358410093 886428189 /nfs/dbraw/zinc/42/81/89/886428189.db2.gz BHDLICYDTITBLA-SSDOTTSWSA-N 1 2 267.289 -1.552 20 0 CAADLO NC(=O)CC(=O)NC[C@H]1CCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001358595034 886432614 /nfs/dbraw/zinc/43/26/14/886432614.db2.gz FAYNCQCBLUFTPY-SNVBAGLBSA-N 1 2 293.327 -1.065 20 0 CAADLO NC(=O)CC(=O)NC[C@H]1CCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001358595034 886432621 /nfs/dbraw/zinc/43/26/21/886432621.db2.gz FAYNCQCBLUFTPY-SNVBAGLBSA-N 1 2 293.327 -1.065 20 0 CAADLO NC(=O)C(=O)N1CC[C@@H]1CNC(=O)Cc1c[nH]c[nH+]1 ZINC001358643117 886437062 /nfs/dbraw/zinc/43/70/62/886437062.db2.gz BPRWSTBZXPDFEL-MRVPVSSYSA-N 1 2 265.273 -1.845 20 0 CAADLO NC(=O)C(=O)NC[C@@H]1CCN1C(=O)CCn1cc[nH+]c1 ZINC001358636186 886437123 /nfs/dbraw/zinc/43/71/23/886437123.db2.gz UUVUHNNGOBOOLR-VIFPVBQESA-N 1 2 279.300 -1.524 20 0 CAADLO NC(=O)C(=O)NC1(CNC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001358671003 886439857 /nfs/dbraw/zinc/43/98/57/886439857.db2.gz ZOZZZLKEFOBCAD-UHFFFAOYSA-N 1 2 279.300 -1.407 20 0 CAADLO NC(=O)C(=O)NC1(CNC(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001358671003 886439869 /nfs/dbraw/zinc/43/98/69/886439869.db2.gz ZOZZZLKEFOBCAD-UHFFFAOYSA-N 1 2 279.300 -1.407 20 0 CAADLO CN(C(=O)CCn1cc[nH+]c1)C1CN(C(=O)CC(N)=O)C1 ZINC001358741311 886441614 /nfs/dbraw/zinc/44/16/14/886441614.db2.gz FHKIULMSCDDQCW-UHFFFAOYSA-N 1 2 293.327 -1.182 20 0 CAADLO CN(C(=O)CC(N)=O)C1CN(C(=O)Cn2cc[nH+]c2)C1 ZINC001358724081 886441734 /nfs/dbraw/zinc/44/17/34/886441734.db2.gz KNYGQXOIXXZSBT-UHFFFAOYSA-N 1 2 279.300 -1.572 20 0 CAADLO Cc1cc(NC(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)cc[nH+]1 ZINC001361365474 886451969 /nfs/dbraw/zinc/45/19/69/886451969.db2.gz NFZXFJVZMWAJRP-VIFPVBQESA-N 1 2 283.309 -1.336 20 0 CAADLO NC(=O)CN(CC(N)=O)C(=O)C[NH+]1CCC(CO)CC1 ZINC001361751296 886479794 /nfs/dbraw/zinc/47/97/94/886479794.db2.gz BIOBOPLQKLRQJY-UHFFFAOYSA-N 1 2 286.332 -2.510 20 0 CAADLO Nc1nnn(CC(=O)N2CCN(c3cccc[nH+]3)CC2)n1 ZINC001361740887 886480824 /nfs/dbraw/zinc/48/08/24/886480824.db2.gz FTGXUOGZXXWIQF-UHFFFAOYSA-N 1 2 288.315 -1.001 20 0 CAADLO CC[N@@H+]1CC[C@H]1C(=O)NCC(=O)NCCN1CCOCC1 ZINC001361761060 886483988 /nfs/dbraw/zinc/48/39/88/886483988.db2.gz JVDMHPXYCYVPMZ-LBPRGKRZSA-N 1 2 298.387 -1.355 20 0 CAADLO CC[N@H+]1CC[C@H]1C(=O)NCC(=O)NCCN1CCOCC1 ZINC001361761060 886483995 /nfs/dbraw/zinc/48/39/95/886483995.db2.gz JVDMHPXYCYVPMZ-LBPRGKRZSA-N 1 2 298.387 -1.355 20 0 CAADLO CC[N@@H+]1CC[C@@H]1C(=O)NCC(=O)NCCN1CCOCC1 ZINC001361761057 886485323 /nfs/dbraw/zinc/48/53/23/886485323.db2.gz JVDMHPXYCYVPMZ-GFCCVEGCSA-N 1 2 298.387 -1.355 20 0 CAADLO CC[N@H+]1CC[C@@H]1C(=O)NCC(=O)NCCN1CCOCC1 ZINC001361761057 886485332 /nfs/dbraw/zinc/48/53/32/886485332.db2.gz JVDMHPXYCYVPMZ-GFCCVEGCSA-N 1 2 298.387 -1.355 20 0 CAADLO CC(=O)N[C@@H](CC(=O)NC[C@@H]1CN(C)CC[N@@H+]1C)C(N)=O ZINC001361833244 886493477 /nfs/dbraw/zinc/49/34/77/886493477.db2.gz NCCDBCBPZCDFMD-MNOVXSKESA-N 1 2 299.375 -2.272 20 0 CAADLO CC(=O)N[C@@H](CC(=O)NC[C@@H]1CN(C)CC[N@H+]1C)C(N)=O ZINC001361833244 886493481 /nfs/dbraw/zinc/49/34/81/886493481.db2.gz NCCDBCBPZCDFMD-MNOVXSKESA-N 1 2 299.375 -2.272 20 0 CAADLO Cn1cc([C@@H](O)C(=O)N[C@@H]2CCC[N@H+](CC(N)=O)C2)cn1 ZINC001361933398 886506462 /nfs/dbraw/zinc/50/64/62/886506462.db2.gz PBKBUHZAODVCQQ-ZYHUDNBSSA-N 1 2 295.343 -1.481 20 0 CAADLO Cn1cc([C@@H](O)C(=O)N[C@@H]2CCC[N@@H+](CC(N)=O)C2)cn1 ZINC001361933398 886506470 /nfs/dbraw/zinc/50/64/70/886506470.db2.gz PBKBUHZAODVCQQ-ZYHUDNBSSA-N 1 2 295.343 -1.481 20 0 CAADLO NS(=O)(=O)c1n[nH]cc1C(=O)N1CC(n2cc[nH+]c2)C1 ZINC001361977111 886512215 /nfs/dbraw/zinc/51/22/15/886512215.db2.gz BOFMKALZYSHAPB-UHFFFAOYSA-N 1 2 296.312 -1.049 20 0 CAADLO C[NH+]1CCN(CCNC(=O)CS(=O)(=O)C2CC2)CC1 ZINC001362027038 886516387 /nfs/dbraw/zinc/51/63/87/886516387.db2.gz ZNPOSQLIBDFGLP-UHFFFAOYSA-N 1 2 289.401 -1.073 20 0 CAADLO NC(=O)CN(CC(N)=O)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001362034743 886518560 /nfs/dbraw/zinc/51/85/60/886518560.db2.gz CSGDKHAAWQNTDC-QMMMGPOBSA-N 1 2 279.300 -1.755 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@H](NC(=O)CN2CCOC2=O)C1 ZINC001362053836 886523952 /nfs/dbraw/zinc/52/39/52/886523952.db2.gz MAJNEEYOMUSFSG-VIFPVBQESA-N 1 2 284.316 -1.496 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@H](NC(=O)CN2CCOC2=O)C1 ZINC001362053836 886523959 /nfs/dbraw/zinc/52/39/59/886523959.db2.gz MAJNEEYOMUSFSG-VIFPVBQESA-N 1 2 284.316 -1.496 20 0 CAADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)C1(O)COC1 ZINC001362048202 886524513 /nfs/dbraw/zinc/52/45/13/886524513.db2.gz PAHWOHJFBKQOKX-UHFFFAOYSA-N 1 2 296.327 -1.085 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@@H](NC(=O)CC2(O)CCOCC2)C1 ZINC001362055992 886526177 /nfs/dbraw/zinc/52/61/77/886526177.db2.gz ZYIAPJXDLYZOLO-LLVKDONJSA-N 1 2 299.371 -1.016 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@@H](NC(=O)CC2(O)CCOCC2)C1 ZINC001362055992 886526187 /nfs/dbraw/zinc/52/61/87/886526187.db2.gz ZYIAPJXDLYZOLO-LLVKDONJSA-N 1 2 299.371 -1.016 20 0 CAADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)CCc1nnc[nH]1 ZINC001362065116 886526974 /nfs/dbraw/zinc/52/69/74/886526974.db2.gz BHGQTRHZYQNUPW-LLVKDONJSA-N 1 2 297.359 -1.111 20 0 CAADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@H](CO)NC(N)=O ZINC001362065463 886527211 /nfs/dbraw/zinc/52/72/11/886527211.db2.gz KHADTGDOGQXKOF-BDAKNGLRSA-N 1 2 274.321 -2.148 20 0 CAADLO C[C@@H]1COCC[N@H+]1CCNC(=O)[C@H](CO)NC(N)=O ZINC001362065463 886527220 /nfs/dbraw/zinc/52/72/20/886527220.db2.gz KHADTGDOGQXKOF-BDAKNGLRSA-N 1 2 274.321 -2.148 20 0 CAADLO Nc1nnn(CC(=O)N2CCC[C@H]2C[NH+]2CCOCC2)n1 ZINC001362195091 886553658 /nfs/dbraw/zinc/55/36/58/886553658.db2.gz PCZNZPCIGYUUFT-JTQLQIEISA-N 1 2 295.347 -1.422 20 0 CAADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)c1cc(CO)on1 ZINC001362206442 886558231 /nfs/dbraw/zinc/55/82/31/886558231.db2.gz CEGFEHMKKYUFRJ-SNVBAGLBSA-N 1 2 299.327 -1.068 20 0 CAADLO NC(=O)CN(CC(N)=O)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001362221850 886562321 /nfs/dbraw/zinc/56/23/21/886562321.db2.gz QQQLLDIQZBFYLT-MRVPVSSYSA-N 1 2 279.300 -1.755 20 0 CAADLO C[C@@H](NC(=O)Cn1cnc(N)n1)[C@@H]1CN(C)CC[N@@H+]1C ZINC001362238690 886564044 /nfs/dbraw/zinc/56/40/44/886564044.db2.gz YUOHSCAZDWMTIL-ZJUUUORDSA-N 1 2 281.364 -1.389 20 0 CAADLO C[C@@H](NC(=O)Cn1cnc(N)n1)[C@@H]1CN(C)CC[N@H+]1C ZINC001362238690 886564056 /nfs/dbraw/zinc/56/40/56/886564056.db2.gz YUOHSCAZDWMTIL-ZJUUUORDSA-N 1 2 281.364 -1.389 20 0 CAADLO COC(=O)[C@@H]1C[C@@H]1C(=O)N[C@H]1CCC[N@H+](CC(N)=O)C1 ZINC001362240761 886565765 /nfs/dbraw/zinc/56/57/65/886565765.db2.gz BGCACNDWFVWMRD-LPEHRKFASA-N 1 2 283.328 -1.139 20 0 CAADLO COC(=O)[C@@H]1C[C@@H]1C(=O)N[C@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001362240761 886565776 /nfs/dbraw/zinc/56/57/76/886565776.db2.gz BGCACNDWFVWMRD-LPEHRKFASA-N 1 2 283.328 -1.139 20 0 CAADLO CNC(=O)NCC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)OC ZINC001362308280 886580206 /nfs/dbraw/zinc/58/02/06/886580206.db2.gz MWPCWAVPRGTJFV-QMMMGPOBSA-N 1 2 283.288 -1.461 20 0 CAADLO CNC(=O)NCC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)OC ZINC001362308280 886580221 /nfs/dbraw/zinc/58/02/21/886580221.db2.gz MWPCWAVPRGTJFV-QMMMGPOBSA-N 1 2 283.288 -1.461 20 0 CAADLO O=C(NC1CC[NH+]([C@@H]2CCOC2=O)CC1)C1(O)COC1 ZINC001362347746 886595128 /nfs/dbraw/zinc/59/51/28/886595128.db2.gz MLFBMEAGFATGSH-SNVBAGLBSA-N 1 2 284.312 -1.356 20 0 CAADLO Cc1[nH+]c[nH]c1CNC(=O)[C@@H](C)NC(=O)Cn1cnnn1 ZINC001362356425 886597234 /nfs/dbraw/zinc/59/72/34/886597234.db2.gz ILQALDJOSNFJIK-MRVPVSSYSA-N 1 2 292.303 -1.474 20 0 CAADLO NC(=O)Cn1cc(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)nn1 ZINC001362370321 886600637 /nfs/dbraw/zinc/60/06/37/886600637.db2.gz VTWDUEBVWNYDJW-MRVPVSSYSA-N 1 2 289.299 -1.295 20 0 CAADLO CC(=O)N[C@@H](CC(=O)N[C@H]1CCn2cc[nH+]c2C1)C(N)=O ZINC001362370048 886601671 /nfs/dbraw/zinc/60/16/71/886601671.db2.gz UKDPAPSZCKSMSS-UWVGGRQHSA-N 1 2 293.327 -1.306 20 0 CAADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)Cn1cnc(N)n1 ZINC001362414545 886610675 /nfs/dbraw/zinc/61/06/75/886610675.db2.gz KMXFTQYELHOQCS-JTQLQIEISA-N 1 2 298.347 -1.988 20 0 CAADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)Cn1cnc(N)n1 ZINC001362414557 886610967 /nfs/dbraw/zinc/61/09/67/886610967.db2.gz KMXFTQYELHOQCS-SNVBAGLBSA-N 1 2 298.347 -1.988 20 0 CAADLO O=C(CCn1cc[nH+]c1)NC[C@@]1(O)CCS(=O)(=O)C1 ZINC001362456951 886620426 /nfs/dbraw/zinc/62/04/26/886620426.db2.gz ZMAJBXJXVTXWNJ-NSHDSACASA-N 1 2 287.341 -1.061 20 0 CAADLO O=C(CCn1cc[nH+]c1)NC[C@]1(O)CCS(=O)(=O)C1 ZINC001362456942 886620914 /nfs/dbraw/zinc/62/09/14/886620914.db2.gz ZMAJBXJXVTXWNJ-LLVKDONJSA-N 1 2 287.341 -1.061 20 0 CAADLO O=C(CN1CCC(=O)NC1=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC001362473305 886623224 /nfs/dbraw/zinc/62/32/24/886623224.db2.gz HYTXRFLOUPDCPL-QMMMGPOBSA-N 1 2 277.284 -1.134 20 0 CAADLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)[C@H](CO)NC(N)=O)C1 ZINC001362478784 886624512 /nfs/dbraw/zinc/62/45/12/886624512.db2.gz BGGDQLDMFOVLAF-BDAKNGLRSA-N 1 2 281.316 -1.235 20 0 CAADLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)Cn1nnc(N)n1 ZINC001362478338 886624547 /nfs/dbraw/zinc/62/45/47/886624547.db2.gz HPCHJAAWPNPAAQ-VIFPVBQESA-N 1 2 283.336 -1.566 20 0 CAADLO C[NH+]1CCN(C2CN(C(=O)CCc3nn[nH]n3)C2)CC1 ZINC001362483551 886628053 /nfs/dbraw/zinc/62/80/53/886628053.db2.gz PKWGJCXQUQFJIN-UHFFFAOYSA-N 1 2 279.348 -1.410 20 0 CAADLO COC[C@@H](NC(=O)[C@@H](c1c[nH+]cn1C)N(C)C)C(N)=O ZINC001362502535 886630725 /nfs/dbraw/zinc/63/07/25/886630725.db2.gz RVMIADUOBOXGPJ-PSASIEDQSA-N 1 2 283.332 -1.361 20 0 CAADLO NS(=O)(=O)c1n[nH]cc1C(=O)N1CCn2c[nH+]cc2C1 ZINC001362515363 886634087 /nfs/dbraw/zinc/63/40/87/886634087.db2.gz HCERTGHREDCUBH-UHFFFAOYSA-N 1 2 296.312 -1.090 20 0 CAADLO CC(=O)NCC(=O)NCC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC001362522503 886635537 /nfs/dbraw/zinc/63/55/37/886635537.db2.gz SJFLKNVXGWHNEI-SNVBAGLBSA-N 1 2 293.327 -1.434 20 0 CAADLO NC(=O)Cn1cc(C(=O)N[C@H]2Cc3c[nH+]cn3C2)nn1 ZINC001362614873 886660122 /nfs/dbraw/zinc/66/01/22/886660122.db2.gz XLHIGIZFARASJV-ZETCQYMHSA-N 1 2 275.272 -1.685 20 0 CAADLO C[NH+](C)C[C@@H](CO)NC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001362623425 886662133 /nfs/dbraw/zinc/66/21/33/886662133.db2.gz FGHIMSVASGRPLP-YUMQZZPRSA-N 1 2 293.345 -3.062 20 0 CAADLO CC(=O)NCC(=O)NCC(=O)NCCc1c[nH+]cn1C ZINC001362647683 886667040 /nfs/dbraw/zinc/66/70/40/886667040.db2.gz GSORLHHRGDPYRQ-UHFFFAOYSA-N 1 2 281.316 -1.669 20 0 CAADLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CS(=O)(=O)C[C@H]1O ZINC001362741259 886693839 /nfs/dbraw/zinc/69/38/39/886693839.db2.gz QZFWBOAINHELTG-RKDXNWHRSA-N 1 2 273.314 -1.465 20 0 CAADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CS(=O)(=O)C[C@H]1O ZINC001362741666 886694007 /nfs/dbraw/zinc/69/40/07/886694007.db2.gz RKWIREPWBNNKFT-TURQNECASA-N 1 2 299.352 -1.202 20 0 CAADLO C[NH+]1CCN(C2CCN(C(=O)Cn3cnnn3)CC2)CC1 ZINC001362793007 886708573 /nfs/dbraw/zinc/70/85/73/886708573.db2.gz VOAIZAYQULSYDE-UHFFFAOYSA-N 1 2 293.375 -1.089 20 0 CAADLO C[NH+]1CCN(C2CCN(C(=O)C3(O)COC3)CC2)CC1 ZINC001362792664 886708970 /nfs/dbraw/zinc/70/89/70/886708970.db2.gz SQUHXJMTFJOWQQ-UHFFFAOYSA-N 1 2 283.372 -1.014 20 0 CAADLO CN1CCN(CC(=O)N[C@H](CO)Cc2c[nH]c[nH+]2)CC1=O ZINC001362795200 886709717 /nfs/dbraw/zinc/70/97/17/886709717.db2.gz LLKBAZCOPJIGRL-NSHDSACASA-N 1 2 295.343 -1.797 20 0 CAADLO CN1CCN(CC(=O)N[C@H](CO)Cc2c[nH+]c[nH]2)CC1=O ZINC001362795200 886709728 /nfs/dbraw/zinc/70/97/28/886709728.db2.gz LLKBAZCOPJIGRL-NSHDSACASA-N 1 2 295.343 -1.797 20 0 CAADLO C[C@H](C(=O)N[C@H](CO)Cc1c[nH]c[nH+]1)S(C)(=O)=O ZINC001362795866 886710423 /nfs/dbraw/zinc/71/04/23/886710423.db2.gz OZBSXJPCRXKMQZ-APPZFPTMSA-N 1 2 275.330 -1.138 20 0 CAADLO C[C@H](C(=O)N[C@H](CO)Cc1c[nH+]c[nH]1)S(C)(=O)=O ZINC001362795866 886710439 /nfs/dbraw/zinc/71/04/39/886710439.db2.gz OZBSXJPCRXKMQZ-APPZFPTMSA-N 1 2 275.330 -1.138 20 0 CAADLO CC(=O)N[C@@H](CC(=O)NCCc1cn(C)c[nH+]1)C(N)=O ZINC001362820521 886719030 /nfs/dbraw/zinc/71/90/30/886719030.db2.gz TYLLDOFNYSOEBB-JTQLQIEISA-N 1 2 281.316 -1.541 20 0 CAADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H]1CCC(=O)N1 ZINC001362836314 886722091 /nfs/dbraw/zinc/72/20/91/886722091.db2.gz UECQVGUFVHRWTL-BDAKNGLRSA-N 1 2 279.300 -1.538 20 0 CAADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H]1CCC(=O)N1 ZINC001362836314 886722107 /nfs/dbraw/zinc/72/21/07/886722107.db2.gz UECQVGUFVHRWTL-BDAKNGLRSA-N 1 2 279.300 -1.538 20 0 CAADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H](C)NC(=O)OC ZINC001362833447 886723627 /nfs/dbraw/zinc/72/36/27/886723627.db2.gz NQTJPKNMCDRNJO-CBAPKCEASA-N 1 2 297.315 -1.073 20 0 CAADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H](C)NC(=O)OC ZINC001362833447 886723638 /nfs/dbraw/zinc/72/36/38/886723638.db2.gz NQTJPKNMCDRNJO-CBAPKCEASA-N 1 2 297.315 -1.073 20 0 CAADLO CN1CCn2c(CNC(=O)Cc3c[nH]c[nH+]3)nnc2C1=O ZINC001362857236 886731292 /nfs/dbraw/zinc/73/12/92/886731292.db2.gz HKPDKCOTPPKVQU-UHFFFAOYSA-N 1 2 289.299 -1.054 20 0 CAADLO COC(=O)[C@H]1CN(C(=O)CCc2nn[nH]n2)CC[N@H+](C)C1 ZINC001362884405 886733424 /nfs/dbraw/zinc/73/34/24/886733424.db2.gz GXCMASYEBJBTMH-SECBINFHSA-N 1 2 296.331 -1.305 20 0 CAADLO CC(C)(C[NH+]1CCOCC1)NC(=O)Cn1nnc(N)n1 ZINC001362869653 886734364 /nfs/dbraw/zinc/73/43/64/886734364.db2.gz UMHVOOLNUQOOEZ-UHFFFAOYSA-N 1 2 283.336 -1.518 20 0 CAADLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)Cn1nnc(N)n1 ZINC001362895047 886738512 /nfs/dbraw/zinc/73/85/12/886738512.db2.gz PBLGAUAEPUSKEC-ZJUUUORDSA-N 1 2 295.347 -1.423 20 0 CAADLO C[N@@H+]1C[C@@H](O)C[C@]1(C)C(=O)NCCC1CS(=O)(=O)C1 ZINC001362925806 886746910 /nfs/dbraw/zinc/74/69/10/886746910.db2.gz XMAKJOAKNPBDKW-CMPLNLGQSA-N 1 2 290.385 -1.008 20 0 CAADLO C[N@H+]1C[C@@H](O)C[C@]1(C)C(=O)NCCC1CS(=O)(=O)C1 ZINC001362925806 886746917 /nfs/dbraw/zinc/74/69/17/886746917.db2.gz XMAKJOAKNPBDKW-CMPLNLGQSA-N 1 2 290.385 -1.008 20 0 CAADLO O=C([C@@H]1CS(=O)(=O)CC(=O)N1)N1CCn2c[nH+]cc2C1 ZINC001362976979 886755868 /nfs/dbraw/zinc/75/58/68/886755868.db2.gz FVOQADAQWGMTHT-VIFPVBQESA-N 1 2 298.324 -1.862 20 0 CAADLO NC(=O)c1ncn(CC(=O)N[C@H]2CCn3cc[nH+]c3C2)n1 ZINC001362973327 886756707 /nfs/dbraw/zinc/75/67/07/886756707.db2.gz PNUGFVUJJFIDSE-QMMMGPOBSA-N 1 2 289.299 -1.295 20 0 CAADLO Cn1c[nH+]cc1CC(=O)NCC1CN(S(C)(=O)=O)C1 ZINC001362997916 886764820 /nfs/dbraw/zinc/76/48/20/886764820.db2.gz YYVNUSFSDTZXLQ-UHFFFAOYSA-N 1 2 286.357 -1.030 20 0 CAADLO CS(=O)(=O)C[C@H](O)CNC(=O)CCn1cc[nH+]c1 ZINC001363019686 886770498 /nfs/dbraw/zinc/77/04/98/886770498.db2.gz IYOLAWDREUPDDL-SECBINFHSA-N 1 2 275.330 -1.205 20 0 CAADLO Cn1c[nH+]cc1[C@H](CO)NC(=O)Cn1ccc(=O)[nH]c1=O ZINC001363045296 886775904 /nfs/dbraw/zinc/77/59/04/886775904.db2.gz CALNODISOFLYIO-QMMMGPOBSA-N 1 2 293.283 -1.468 20 0 CAADLO COCC(COC)[NH+]1CCN(C(=O)C2(O)COC2)CC1 ZINC001363038210 886776241 /nfs/dbraw/zinc/77/62/41/886776241.db2.gz MRXHOKJCWNVLSI-UHFFFAOYSA-N 1 2 288.344 -1.447 20 0 CAADLO NS(=O)(=O)N1CCC(NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001363054257 886780166 /nfs/dbraw/zinc/78/01/66/886780166.db2.gz YENXESXKYVHHOH-UHFFFAOYSA-N 1 2 287.345 -1.264 20 0 CAADLO NS(=O)(=O)NC1CN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001363082846 886787575 /nfs/dbraw/zinc/78/75/75/886787575.db2.gz NEUUBSOSYQFHQC-QMMMGPOBSA-N 1 2 299.356 -1.551 20 0 CAADLO NS(=O)(=O)NC1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001363082769 886788668 /nfs/dbraw/zinc/78/86/68/886788668.db2.gz MYGITWSJXGXJAF-HTQZYQBOSA-N 1 2 285.329 -1.483 20 0 CAADLO NS(=O)(=O)NC1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001363082769 886788675 /nfs/dbraw/zinc/78/86/75/886788675.db2.gz MYGITWSJXGXJAF-HTQZYQBOSA-N 1 2 285.329 -1.483 20 0 CAADLO C[NH+]1CCN(C2CN(C(=O)CS(C)(=O)=O)C2)CC1 ZINC001363103348 886794654 /nfs/dbraw/zinc/79/46/54/886794654.db2.gz QNPHBAPDPFQVNK-UHFFFAOYSA-N 1 2 275.374 -1.511 20 0 CAADLO O=C(NCC[N@@H+]1CCC2(C1)OCCO2)C1(O)COC1 ZINC001363112375 886797324 /nfs/dbraw/zinc/79/73/24/886797324.db2.gz OAEFNKTUKPGHRC-UHFFFAOYSA-N 1 2 272.301 -1.687 20 0 CAADLO O=C(NCC[N@H+]1CCC2(C1)OCCO2)C1(O)COC1 ZINC001363112375 886797333 /nfs/dbraw/zinc/79/73/33/886797333.db2.gz OAEFNKTUKPGHRC-UHFFFAOYSA-N 1 2 272.301 -1.687 20 0 CAADLO C[NH+](C)CCn1ccc(C(=O)NCc2nnc(CO)[nH]2)n1 ZINC001363129034 886802359 /nfs/dbraw/zinc/80/23/59/886802359.db2.gz QKWDCGCWMBDDOC-UHFFFAOYSA-N 1 2 293.331 -1.015 20 0 CAADLO NS(=O)(=O)NC1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001363140723 886803699 /nfs/dbraw/zinc/80/36/99/886803699.db2.gz WWPFQEZXXRBTTQ-UHFFFAOYSA-N 1 2 287.345 -1.333 20 0 CAADLO CN(C[C@H](O)C[NH+]1CCOCC1)c1nccnc1C(N)=O ZINC001363142634 886803820 /nfs/dbraw/zinc/80/38/20/886803820.db2.gz KBTFMABKVUWERX-JTQLQIEISA-N 1 2 295.343 -1.295 20 0 CAADLO CN(C[C@@H](O)C[NH+]1CCOCC1)c1nccnc1C(N)=O ZINC001363142638 886806203 /nfs/dbraw/zinc/80/62/03/886806203.db2.gz KBTFMABKVUWERX-SNVBAGLBSA-N 1 2 295.343 -1.295 20 0 CAADLO C[N@@H+]1CCN(C(=O)c2[nH]c(=O)[nH]c(=O)c2N)C[C@H]1CO ZINC001363147997 886807794 /nfs/dbraw/zinc/80/77/94/886807794.db2.gz RARGDPUZWUMDJS-LURJTMIESA-N 1 2 283.288 -1.782 20 0 CAADLO C[N@H+]1CCN(C(=O)c2[nH]c(=O)[nH]c(=O)c2N)C[C@H]1CO ZINC001363147997 886807810 /nfs/dbraw/zinc/80/78/10/886807810.db2.gz RARGDPUZWUMDJS-LURJTMIESA-N 1 2 283.288 -1.782 20 0 CAADLO C[N@@H+]1CCN(C(=O)c2cn([C@@H]3CC[C@H]3O)nn2)C[C@H]1CO ZINC001363150211 886808093 /nfs/dbraw/zinc/80/80/93/886808093.db2.gz VMTLFFWIYURQPI-MVWJERBFSA-N 1 2 295.343 -1.278 20 0 CAADLO C[N@H+]1CCN(C(=O)c2cn([C@@H]3CC[C@H]3O)nn2)C[C@H]1CO ZINC001363150211 886808098 /nfs/dbraw/zinc/80/80/98/886808098.db2.gz VMTLFFWIYURQPI-MVWJERBFSA-N 1 2 295.343 -1.278 20 0 CAADLO C[N@@H+]1CCN(C(=O)c2[nH]c(=O)[nH]c(=O)c2N)C[C@@H]1CO ZINC001363147999 886808725 /nfs/dbraw/zinc/80/87/25/886808725.db2.gz RARGDPUZWUMDJS-ZCFIWIBFSA-N 1 2 283.288 -1.782 20 0 CAADLO C[N@H+]1CCN(C(=O)c2[nH]c(=O)[nH]c(=O)c2N)C[C@@H]1CO ZINC001363147999 886808740 /nfs/dbraw/zinc/80/87/40/886808740.db2.gz RARGDPUZWUMDJS-ZCFIWIBFSA-N 1 2 283.288 -1.782 20 0 CAADLO C[NH+](C)C[C@H](CO)NC(=O)C[C@@H]1C=CS(=O)(=O)C1 ZINC001363152455 886809160 /nfs/dbraw/zinc/80/91/60/886809160.db2.gz ACAPSNWYFXFGNS-VHSXEESVSA-N 1 2 276.358 -1.027 20 0 CAADLO Cn1cnn(CC(=O)N[C@H](CO)Cc2c[nH]c[nH+]2)c1=O ZINC001363194435 886821475 /nfs/dbraw/zinc/82/14/75/886821475.db2.gz FGPADPCCXROBET-VIFPVBQESA-N 1 2 280.288 -1.975 20 0 CAADLO Cn1cnn(CC(=O)N[C@H](CO)Cc2c[nH+]c[nH]2)c1=O ZINC001363194435 886821489 /nfs/dbraw/zinc/82/14/89/886821489.db2.gz FGPADPCCXROBET-VIFPVBQESA-N 1 2 280.288 -1.975 20 0 CAADLO O=C(N[C@H](CO)Cc1c[nH]c[nH+]1)[C@@H]1CCS(=O)(=O)C1 ZINC001363195095 886821851 /nfs/dbraw/zinc/82/18/51/886821851.db2.gz LIWHFAAUUGBYMY-SCZZXKLOSA-N 1 2 287.341 -1.136 20 0 CAADLO O=C(N[C@H](CO)Cc1c[nH+]c[nH]1)[C@@H]1CCS(=O)(=O)C1 ZINC001363195095 886821861 /nfs/dbraw/zinc/82/18/61/886821861.db2.gz LIWHFAAUUGBYMY-SCZZXKLOSA-N 1 2 287.341 -1.136 20 0 CAADLO CNS(=O)(=O)CC(=O)N[C@H](CO)Cc1c[nH]c[nH+]1 ZINC001363198277 886825465 /nfs/dbraw/zinc/82/54/65/886825465.db2.gz SCDOMQGRZCZHCZ-QMMMGPOBSA-N 1 2 276.318 -2.022 20 0 CAADLO CCOC(=O)C[C@H](O)C(=O)N[C@H](CO)Cc1c[nH]c[nH+]1 ZINC001363194711 886824475 /nfs/dbraw/zinc/82/44/75/886824475.db2.gz GPXVIZWDYWPNRK-UWVGGRQHSA-N 1 2 285.300 -1.257 20 0 CAADLO CCOC(=O)C[C@H](O)C(=O)N[C@H](CO)Cc1c[nH+]c[nH]1 ZINC001363194711 886824487 /nfs/dbraw/zinc/82/44/87/886824487.db2.gz GPXVIZWDYWPNRK-UWVGGRQHSA-N 1 2 285.300 -1.257 20 0 CAADLO CNS(=O)(=O)CC(=O)N[C@H](CO)Cc1c[nH+]c[nH]1 ZINC001363198277 886825485 /nfs/dbraw/zinc/82/54/85/886825485.db2.gz SCDOMQGRZCZHCZ-QMMMGPOBSA-N 1 2 276.318 -2.022 20 0 CAADLO CNS(=O)(=O)NCC(=O)N[C@H](CO)Cc1c[nH]c[nH+]1 ZINC001363198052 886828799 /nfs/dbraw/zinc/82/87/99/886828799.db2.gz RFDKHOJEOVDXNH-QMMMGPOBSA-N 1 2 291.333 -2.517 20 0 CAADLO CNS(=O)(=O)NCC(=O)N[C@H](CO)Cc1c[nH+]c[nH]1 ZINC001363198052 886828805 /nfs/dbraw/zinc/82/88/05/886828805.db2.gz RFDKHOJEOVDXNH-QMMMGPOBSA-N 1 2 291.333 -2.517 20 0 CAADLO COC[C@H](O)C[NH+]1CCN(S(=O)(=O)NC(C)C)CC1 ZINC001363235777 886835599 /nfs/dbraw/zinc/83/55/99/886835599.db2.gz MTRGOJBRQVINMT-LLVKDONJSA-N 1 2 295.405 -1.146 20 0 CAADLO CNS(=O)(=O)CC(=O)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1 ZINC001363250294 886842655 /nfs/dbraw/zinc/84/26/55/886842655.db2.gz CCORZWATSQGKGI-AOOOYVTPSA-N 1 2 293.389 -1.551 20 0 CAADLO CNS(=O)(=O)CC(=O)N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1 ZINC001363250294 886842677 /nfs/dbraw/zinc/84/26/77/886842677.db2.gz CCORZWATSQGKGI-AOOOYVTPSA-N 1 2 293.389 -1.551 20 0 CAADLO CNC(=O)[C@H]1CC[N@H+](Cc2nnc3c(=O)[nH]ccn23)C1 ZINC001363259190 886846762 /nfs/dbraw/zinc/84/67/62/886846762.db2.gz NFUXSGQKQOLGHA-QMMMGPOBSA-N 1 2 276.300 -1.015 20 0 CAADLO CNC(=O)[C@H]1CC[N@@H+](Cc2nnc3c(=O)[nH]ccn23)C1 ZINC001363259190 886846779 /nfs/dbraw/zinc/84/67/79/886846779.db2.gz NFUXSGQKQOLGHA-QMMMGPOBSA-N 1 2 276.300 -1.015 20 0 CAADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C[C@@H]1CCNC1=O ZINC001363274853 886848034 /nfs/dbraw/zinc/84/80/34/886848034.db2.gz AVIYYDBKWVOCEX-WPRPVWTQSA-N 1 2 293.327 -1.291 20 0 CAADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C[C@@H]1CCNC1=O ZINC001363274853 886848054 /nfs/dbraw/zinc/84/80/54/886848054.db2.gz AVIYYDBKWVOCEX-WPRPVWTQSA-N 1 2 293.327 -1.291 20 0 CAADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CN1CCCC1=O ZINC001363274802 886849759 /nfs/dbraw/zinc/84/97/59/886849759.db2.gz AGZWAJGXMSVQJD-JTQLQIEISA-N 1 2 293.327 -1.195 20 0 CAADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CN1CCCC1=O ZINC001363274802 886849776 /nfs/dbraw/zinc/84/97/76/886849776.db2.gz AGZWAJGXMSVQJD-JTQLQIEISA-N 1 2 293.327 -1.195 20 0 CAADLO Cn1c[nH+]cc1CNC(=O)Cn1cc(S(N)(=O)=O)cn1 ZINC001363271889 886850418 /nfs/dbraw/zinc/85/04/18/886850418.db2.gz SPRWILSNUQYMAF-UHFFFAOYSA-N 1 2 298.328 -1.420 20 0 CAADLO NS(=O)(=O)C1(C(=O)N[C@H](CO)Cc2c[nH]c[nH+]2)CC1 ZINC001363283287 886852908 /nfs/dbraw/zinc/85/29/08/886852908.db2.gz QTAIJYHGMDHDSY-QMMMGPOBSA-N 1 2 288.329 -1.750 20 0 CAADLO NS(=O)(=O)C1(C(=O)N[C@H](CO)Cc2c[nH+]c[nH]2)CC1 ZINC001363283287 886852926 /nfs/dbraw/zinc/85/29/26/886852926.db2.gz QTAIJYHGMDHDSY-QMMMGPOBSA-N 1 2 288.329 -1.750 20 0 CAADLO NC(=O)C1CN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001363283605 886853006 /nfs/dbraw/zinc/85/30/06/886853006.db2.gz ISWBIGWQNADLJH-NEPJUHHUSA-N 1 2 297.355 -1.190 20 0 CAADLO COC(=O)CNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](c2nn[nH]n2)C1 ZINC001363288780 886855898 /nfs/dbraw/zinc/85/58/98/886855898.db2.gz AUBGQDFMWOKREB-HTQZYQBOSA-N 1 2 282.304 -1.333 20 0 CAADLO COC(=O)CNC(=O)[C@@H](C)[N@H+]1CC[C@@H](c2nn[nH]n2)C1 ZINC001363288780 886855916 /nfs/dbraw/zinc/85/59/16/886855916.db2.gz AUBGQDFMWOKREB-HTQZYQBOSA-N 1 2 282.304 -1.333 20 0 CAADLO O=C(NCc1n[nH]c(CO)n1)C1C[NH+]([C@@H]2CCOC2)C1 ZINC001363287690 886857225 /nfs/dbraw/zinc/85/72/25/886857225.db2.gz OENVTJSQPQWURF-SECBINFHSA-N 1 2 281.316 -1.366 20 0 CAADLO COC(=O)CNC(=O)[C@H](C)[N@@H+]1CC[C@@H](c2nn[nH]n2)C1 ZINC001363288782 886858387 /nfs/dbraw/zinc/85/83/87/886858387.db2.gz AUBGQDFMWOKREB-JGVFFNPUSA-N 1 2 282.304 -1.333 20 0 CAADLO COC(=O)CNC(=O)[C@H](C)[N@H+]1CC[C@@H](c2nn[nH]n2)C1 ZINC001363288782 886858403 /nfs/dbraw/zinc/85/84/03/886858403.db2.gz AUBGQDFMWOKREB-JGVFFNPUSA-N 1 2 282.304 -1.333 20 0 CAADLO Cn1c[nH+]cc1CC(=O)NC(C)(C)CNS(N)(=O)=O ZINC001363292280 886859031 /nfs/dbraw/zinc/85/90/31/886859031.db2.gz DSHDRXQCNNCCGQ-UHFFFAOYSA-N 1 2 289.361 -1.350 20 0 CAADLO COC(=O)CNC(=O)[C@H](C)[N@@H+]1CC[C@H](c2nn[nH]n2)C1 ZINC001363288786 886859122 /nfs/dbraw/zinc/85/91/22/886859122.db2.gz AUBGQDFMWOKREB-YUMQZZPRSA-N 1 2 282.304 -1.333 20 0 CAADLO COC(=O)CNC(=O)[C@H](C)[N@H+]1CC[C@H](c2nn[nH]n2)C1 ZINC001363288786 886859142 /nfs/dbraw/zinc/85/91/42/886859142.db2.gz AUBGQDFMWOKREB-YUMQZZPRSA-N 1 2 282.304 -1.333 20 0 CAADLO CNS(=O)(=O)CC(=O)N1CC[N@H+](CCO)C[C@H]1C ZINC001363288480 886859773 /nfs/dbraw/zinc/85/97/73/886859773.db2.gz NYHPVITXXAMFQA-SECBINFHSA-N 1 2 279.362 -1.939 20 0 CAADLO CNS(=O)(=O)CC(=O)N1CC[N@@H+](CCO)C[C@H]1C ZINC001363288480 886859796 /nfs/dbraw/zinc/85/97/96/886859796.db2.gz NYHPVITXXAMFQA-SECBINFHSA-N 1 2 279.362 -1.939 20 0 CAADLO O=C(NCc1n[nH]c(CO)n1)C1C[NH+]([C@H]2CCOC2)C1 ZINC001363287691 886860340 /nfs/dbraw/zinc/86/03/40/886860340.db2.gz OENVTJSQPQWURF-VIFPVBQESA-N 1 2 281.316 -1.366 20 0 CAADLO Cn1c[nH+]cc1[C@H](CO)NC(=O)CCNC(=O)CO ZINC001363317239 886866599 /nfs/dbraw/zinc/86/65/99/886866599.db2.gz FYCMTKKVRQKBIB-QMMMGPOBSA-N 1 2 270.289 -1.932 20 0 CAADLO Cn1c[nH+]cc1[C@@H](CO)NC(=O)CCNC(=O)CO ZINC001363317235 886866822 /nfs/dbraw/zinc/86/68/22/886866822.db2.gz FYCMTKKVRQKBIB-MRVPVSSYSA-N 1 2 270.289 -1.932 20 0 CAADLO Cn1c[nH+]cc1[C@@H](CO)NC(=O)CCNS(C)(=O)=O ZINC001363324275 886868429 /nfs/dbraw/zinc/86/84/29/886868429.db2.gz NXCTYPKPVNIWGH-MRVPVSSYSA-N 1 2 290.345 -1.491 20 0 CAADLO CC(C)C(=O)N[C@@H](CO)C(=O)N[C@H](CO)c1c[nH+]cn1C ZINC001363321961 886871140 /nfs/dbraw/zinc/87/11/40/886871140.db2.gz LRWQQRNQEVIINY-ZJUUUORDSA-N 1 2 298.343 -1.297 20 0 CAADLO C[C@@H](CS(C)(=O)=O)[NH2+]Cc1cn(CC(N)=O)nn1 ZINC001363362688 886880834 /nfs/dbraw/zinc/88/08/34/886880834.db2.gz ZXWQGVYAFFBEQV-ZETCQYMHSA-N 1 2 275.334 -1.714 20 0 CAADLO NC(=O)C1(O)CN(C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001363404162 886890726 /nfs/dbraw/zinc/89/07/26/886890726.db2.gz HFYNHVMMCVUWRU-UHFFFAOYSA-N 1 2 278.312 -1.180 20 0 CAADLO O=C(N[C@@H]1CS(=O)(=O)C[C@H]1O)[C@H]1CCc2[nH+]ccn2C1 ZINC001363407799 886895255 /nfs/dbraw/zinc/89/52/55/886895255.db2.gz OQZHBZRIQXANGO-IVZWLZJFSA-N 1 2 299.352 -1.280 20 0 CAADLO C[C@H](NC(N)=O)C(=O)N1CC[NH2+][C@@H](c2cnn(C)c2)C1 ZINC001363407111 886895330 /nfs/dbraw/zinc/89/53/30/886895330.db2.gz MWJKSUCKBQNBBG-WCBMZHEXSA-N 1 2 280.332 -1.050 20 0 CAADLO CC(=O)NCC(=O)NCC(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC001363454289 886905964 /nfs/dbraw/zinc/90/59/64/886905964.db2.gz AUOCKQFKUJSDHT-SNVBAGLBSA-N 1 2 293.327 -1.434 20 0 CAADLO Cn1c[nH+]cc1[C@@H](CO)NC(=O)C1=CCS(=O)(=O)C1 ZINC001363488810 886912051 /nfs/dbraw/zinc/91/20/51/886912051.db2.gz JOGGAGKJJKJNHN-SECBINFHSA-N 1 2 285.325 -1.076 20 0 CAADLO C[N@@H+]1CCN(C(=O)c2[nH]c(=O)[nH]c(=O)c2N)[C@@H](CO)C1 ZINC001363485488 886913034 /nfs/dbraw/zinc/91/30/34/886913034.db2.gz LXXQUVFFXLJFMV-ZCFIWIBFSA-N 1 2 283.288 -1.782 20 0 CAADLO C[N@H+]1CCN(C(=O)c2[nH]c(=O)[nH]c(=O)c2N)[C@@H](CO)C1 ZINC001363485488 886913047 /nfs/dbraw/zinc/91/30/47/886913047.db2.gz LXXQUVFFXLJFMV-ZCFIWIBFSA-N 1 2 283.288 -1.782 20 0 CAADLO CN(C)S(=O)(=O)CC(=O)N[C@@H](CO)c1c[nH+]cn1C ZINC001363487820 886913476 /nfs/dbraw/zinc/91/34/76/886913476.db2.gz DVSUERPJYIKHPK-QMMMGPOBSA-N 1 2 290.345 -1.539 20 0 CAADLO CN(C)S(=O)(=O)CC(=O)N[C@H](CO)c1c[nH+]cn1C ZINC001363487813 886913642 /nfs/dbraw/zinc/91/36/42/886913642.db2.gz DVSUERPJYIKHPK-MRVPVSSYSA-N 1 2 290.345 -1.539 20 0 CAADLO NC(=O)[C@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1C(N)=O ZINC001363492468 886915929 /nfs/dbraw/zinc/91/59/29/886915929.db2.gz UMJUVNLJSMTRHI-OCAPTIKFSA-N 1 2 279.300 -1.613 20 0 CAADLO NC(=O)[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1C(N)=O ZINC001363492463 886916532 /nfs/dbraw/zinc/91/65/32/886916532.db2.gz UMJUVNLJSMTRHI-HTQZYQBOSA-N 1 2 279.300 -1.613 20 0 CAADLO O=C(CCn1cc[nH+]c1)N[C@@H]1CS(=O)(=O)C[C@H]1O ZINC001363499337 886917971 /nfs/dbraw/zinc/91/79/71/886917971.db2.gz WBTIIUPBQPDLLK-RKDXNWHRSA-N 1 2 273.314 -1.453 20 0 CAADLO C[N@@H+]1CCN(C(=O)c2cnn(C[C@@H](O)CO)c2)C[C@H]1CO ZINC001363508227 886920814 /nfs/dbraw/zinc/92/08/14/886920814.db2.gz HMVCKFZXLADEPS-NWDGAFQWSA-N 1 2 298.343 -2.015 20 0 CAADLO C[N@H+]1CCN(C(=O)c2cnn(C[C@@H](O)CO)c2)C[C@H]1CO ZINC001363508227 886920827 /nfs/dbraw/zinc/92/08/27/886920827.db2.gz HMVCKFZXLADEPS-NWDGAFQWSA-N 1 2 298.343 -2.015 20 0 CAADLO C[N@@H+]1CCN(C(=O)c2cnn(C[C@H](O)CO)c2)C[C@H]1CO ZINC001363508229 886921754 /nfs/dbraw/zinc/92/17/54/886921754.db2.gz HMVCKFZXLADEPS-RYUDHWBXSA-N 1 2 298.343 -2.015 20 0 CAADLO C[N@H+]1CCN(C(=O)c2cnn(C[C@H](O)CO)c2)C[C@H]1CO ZINC001363508229 886921762 /nfs/dbraw/zinc/92/17/62/886921762.db2.gz HMVCKFZXLADEPS-RYUDHWBXSA-N 1 2 298.343 -2.015 20 0 CAADLO O=C(Cn1ccc(=O)[nH]c1=O)N[C@H](CO)Cc1c[nH]c[nH+]1 ZINC001363520317 886923450 /nfs/dbraw/zinc/92/34/50/886923450.db2.gz YUQRCYJYSNPGJQ-VIFPVBQESA-N 1 2 293.283 -1.608 20 0 CAADLO O=C(Cn1ccc(=O)[nH]c1=O)N[C@H](CO)Cc1c[nH+]c[nH]1 ZINC001363520317 886923455 /nfs/dbraw/zinc/92/34/55/886923455.db2.gz YUQRCYJYSNPGJQ-VIFPVBQESA-N 1 2 293.283 -1.608 20 0 CAADLO Cn1c[nH+]cc1CC(=O)NCc1nnc2n1CCNC2=O ZINC001363549932 886934040 /nfs/dbraw/zinc/93/40/40/886934040.db2.gz YJQBPGWLKWWUPY-UHFFFAOYSA-N 1 2 289.299 -1.386 20 0 CAADLO O=C(C[C@@H]1CCS(=O)(=O)C1)NCC[N@H+]1CC[C@@H](O)C1 ZINC001363552040 886934106 /nfs/dbraw/zinc/93/41/06/886934106.db2.gz MNJZFPMHOFACON-WDEREUQCSA-N 1 2 290.385 -1.006 20 0 CAADLO O=C(C[C@@H]1CCS(=O)(=O)C1)NCC[N@@H+]1CC[C@@H](O)C1 ZINC001363552040 886934110 /nfs/dbraw/zinc/93/41/10/886934110.db2.gz MNJZFPMHOFACON-WDEREUQCSA-N 1 2 290.385 -1.006 20 0 CAADLO O=C(Cc1[nH]cc[nH+]1)N1CCS(=O)(=O)C[C@@H]1CCO ZINC001363573352 886937209 /nfs/dbraw/zinc/93/72/09/886937209.db2.gz GECOEOPLSBEGJD-VIFPVBQESA-N 1 2 287.341 -1.040 20 0 CAADLO CNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2NC(=O)O[C@H]2C)CC1 ZINC001363571717 886937274 /nfs/dbraw/zinc/93/72/74/886937274.db2.gz BOHAGGSTXLDIPF-GXSJLCMTSA-N 1 2 298.343 -1.236 20 0 CAADLO CNC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2NC(=O)O[C@H]2C)CC1 ZINC001363571717 886937284 /nfs/dbraw/zinc/93/72/84/886937284.db2.gz BOHAGGSTXLDIPF-GXSJLCMTSA-N 1 2 298.343 -1.236 20 0 CAADLO CNC(=O)C[N@@H+]1CCCN(C(=O)[C@](C)(O)COC)CC1 ZINC001363573186 886937412 /nfs/dbraw/zinc/93/74/12/886937412.db2.gz GCNVRSSVAINBIO-CYBMUJFWSA-N 1 2 287.360 -1.336 20 0 CAADLO CNC(=O)C[N@H+]1CCCN(C(=O)[C@](C)(O)COC)CC1 ZINC001363573186 886937419 /nfs/dbraw/zinc/93/74/19/886937419.db2.gz GCNVRSSVAINBIO-CYBMUJFWSA-N 1 2 287.360 -1.336 20 0 CAADLO CNC(=O)C[N@@H+]1CCCN(C(=O)[C@H]2NC(=O)O[C@H]2C)CC1 ZINC001363571736 886937628 /nfs/dbraw/zinc/93/76/28/886937628.db2.gz BOHAGGSTXLDIPF-ONGXEEELSA-N 1 2 298.343 -1.236 20 0 CAADLO CNC(=O)C[N@H+]1CCCN(C(=O)[C@H]2NC(=O)O[C@H]2C)CC1 ZINC001363571736 886937633 /nfs/dbraw/zinc/93/76/33/886937633.db2.gz BOHAGGSTXLDIPF-ONGXEEELSA-N 1 2 298.343 -1.236 20 0 CAADLO CC[N@@H+]1CC[C@@H]1C(=O)N(CC(=O)NC)CC(=O)NC ZINC001363560559 886938403 /nfs/dbraw/zinc/93/84/03/886938403.db2.gz RDXGBJOETFZXPU-SECBINFHSA-N 1 2 270.333 -1.599 20 0 CAADLO CC[N@H+]1CC[C@@H]1C(=O)N(CC(=O)NC)CC(=O)NC ZINC001363560559 886938416 /nfs/dbraw/zinc/93/84/16/886938416.db2.gz RDXGBJOETFZXPU-SECBINFHSA-N 1 2 270.333 -1.599 20 0 CAADLO CN(Cc1nnc2n1CCNC2=O)C(=O)Cc1c[nH+]c[nH]1 ZINC001363587972 886939720 /nfs/dbraw/zinc/93/97/20/886939720.db2.gz BGTYPLXFMGZTFP-UHFFFAOYSA-N 1 2 289.299 -1.054 20 0 CAADLO COC[C@H](NC(=O)[C@H]1C[N@@H+]2CCN1C[C@@H]2C)c1nn[nH]n1 ZINC001363591288 886943561 /nfs/dbraw/zinc/94/35/61/886943561.db2.gz SRINGVXUXJUDKD-LPEHRKFASA-N 1 2 295.347 -1.608 20 0 CAADLO COC[C@H](NC(=O)[C@H]1C[N@H+]2CCN1C[C@@H]2C)c1nn[nH]n1 ZINC001363591288 886943569 /nfs/dbraw/zinc/94/35/69/886943569.db2.gz SRINGVXUXJUDKD-LPEHRKFASA-N 1 2 295.347 -1.608 20 0 CAADLO CCc1[nH]c(CNC(=O)c2cn(CC(N)=O)nn2)c[nH+]1 ZINC001363616511 886951099 /nfs/dbraw/zinc/95/10/99/886951099.db2.gz OYAKJMYTTCAHMH-UHFFFAOYSA-N 1 2 277.288 -1.021 20 0 CAADLO CCc1[nH]cc(CNC(=O)c2cn(CC(N)=O)nn2)[nH+]1 ZINC001363616511 886951109 /nfs/dbraw/zinc/95/11/09/886951109.db2.gz OYAKJMYTTCAHMH-UHFFFAOYSA-N 1 2 277.288 -1.021 20 0 CAADLO COC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)CCn1cnnn1 ZINC001363639332 886952906 /nfs/dbraw/zinc/95/29/06/886952906.db2.gz GBCXYGPYGMRUOR-SECBINFHSA-N 1 2 293.287 -1.313 20 0 CAADLO COC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)CCn1cnnn1 ZINC001363639332 886952921 /nfs/dbraw/zinc/95/29/21/886952921.db2.gz GBCXYGPYGMRUOR-SECBINFHSA-N 1 2 293.287 -1.313 20 0 CAADLO COC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)Cn1ncnn1 ZINC001363640877 886952958 /nfs/dbraw/zinc/95/29/58/886952958.db2.gz NJNWJNNMTHBIOY-MRVPVSSYSA-N 1 2 279.260 -1.703 20 0 CAADLO COC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)Cn1ncnn1 ZINC001363640877 886952975 /nfs/dbraw/zinc/95/29/75/886952975.db2.gz NJNWJNNMTHBIOY-MRVPVSSYSA-N 1 2 279.260 -1.703 20 0 CAADLO COC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)[C@]1(O)CCOC1 ZINC001363676535 886960642 /nfs/dbraw/zinc/96/06/42/886960642.db2.gz REUHLZAZWWFCCH-SKDRFNHKSA-N 1 2 283.284 -1.239 20 0 CAADLO COC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)[C@]1(O)CCOC1 ZINC001363676535 886960648 /nfs/dbraw/zinc/96/06/48/886960648.db2.gz REUHLZAZWWFCCH-SKDRFNHKSA-N 1 2 283.284 -1.239 20 0 CAADLO C[NH+]1CCN(CC(=O)NCc2nc(O)cc(=O)[nH]2)CC1 ZINC001363721597 886965877 /nfs/dbraw/zinc/96/58/77/886965877.db2.gz HCJYLJAHSFZLHP-UHFFFAOYSA-N 1 2 281.316 -1.249 20 0 CAADLO O=C1CC2(CN(c3nccn4nnnc34)C2)[NH2+]CCN1 ZINC001363727202 886968838 /nfs/dbraw/zinc/96/88/38/886968838.db2.gz MPGROBLPEXYAFB-UHFFFAOYSA-N 1 2 274.288 -1.812 20 0 CAADLO CC(C)NC(=O)CNS(=O)(=O)N1CC[NH+](C)CC1 ZINC001363747421 886973061 /nfs/dbraw/zinc/97/30/61/886973061.db2.gz KCJLARAUNZQGAO-UHFFFAOYSA-N 1 2 278.378 -1.407 20 0 CAADLO C[C@H](Cn1cc[nH+]c1)NS(=O)(=O)[C@@H]1COC[C@H]1O ZINC001363752848 886973431 /nfs/dbraw/zinc/97/34/31/886973431.db2.gz MUSFQRKFKLQYNX-OPRDCNLKSA-N 1 2 275.330 -1.049 20 0 CAADLO CCN(CC(=O)N(C)C)S(=O)(=O)N1CC[NH+](C)CC1 ZINC001363751414 886974316 /nfs/dbraw/zinc/97/43/16/886974316.db2.gz KFUUWSAYOBYTLD-UHFFFAOYSA-N 1 2 292.405 -1.111 20 0 CAADLO COCC[C@](C)(O)CNS(=O)(=O)N1CC[NH+](C)CC1 ZINC001363768831 886977186 /nfs/dbraw/zinc/97/71/86/886977186.db2.gz LMPZUNLZMTYHED-NSHDSACASA-N 1 2 295.405 -1.144 20 0 CAADLO CS(=O)(=O)C[C@H](O)CNC(=O)CC[N@@H+]1CC[C@@H](F)C1 ZINC001363781635 886979742 /nfs/dbraw/zinc/97/97/42/886979742.db2.gz OJZROVNZAKGFTO-NXEZZACHSA-N 1 2 296.364 -1.058 20 0 CAADLO CS(=O)(=O)C[C@H](O)CNC(=O)CC[N@H+]1CC[C@@H](F)C1 ZINC001363781635 886979745 /nfs/dbraw/zinc/97/97/45/886979745.db2.gz OJZROVNZAKGFTO-NXEZZACHSA-N 1 2 296.364 -1.058 20 0 CAADLO NC(=O)C[C@H]1CC[N@H+](Cc2cc(=O)n3[nH]c(N)nc3n2)C1 ZINC001363797242 886980386 /nfs/dbraw/zinc/98/03/86/886980386.db2.gz OMUJWTSPSKBAMC-SSDOTTSWSA-N 1 2 291.315 -1.303 20 0 CAADLO CS(=O)(=O)C[C@@H](O)CNC(=O)CC[N@@H+]1CC[C@H](F)C1 ZINC001363781703 886980466 /nfs/dbraw/zinc/98/04/66/886980466.db2.gz OJZROVNZAKGFTO-UWVGGRQHSA-N 1 2 296.364 -1.058 20 0 CAADLO CS(=O)(=O)C[C@@H](O)CNC(=O)CC[N@H+]1CC[C@H](F)C1 ZINC001363781703 886980478 /nfs/dbraw/zinc/98/04/78/886980478.db2.gz OJZROVNZAKGFTO-UWVGGRQHSA-N 1 2 296.364 -1.058 20 0 CAADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@]1(O)CCOC1 ZINC001363806377 886982717 /nfs/dbraw/zinc/98/27/17/886982717.db2.gz RQHPDMXWOPYJRT-JOYOIKCWSA-N 1 2 282.300 -1.666 20 0 CAADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@]1(O)CCOC1 ZINC001363806377 886982735 /nfs/dbraw/zinc/98/27/35/886982735.db2.gz RQHPDMXWOPYJRT-JOYOIKCWSA-N 1 2 282.300 -1.666 20 0 CAADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001363799099 886982890 /nfs/dbraw/zinc/98/28/90/886982890.db2.gz GQLFYBWRRRORAY-IUCAKERBSA-N 1 2 294.315 -1.793 20 0 CAADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001363799099 886982908 /nfs/dbraw/zinc/98/29/08/886982908.db2.gz GQLFYBWRRRORAY-IUCAKERBSA-N 1 2 294.315 -1.793 20 0 CAADLO CNC(=O)NCC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC ZINC001363799311 886984277 /nfs/dbraw/zinc/98/42/77/886984277.db2.gz HMHSRGDRAQXHHM-QMMMGPOBSA-N 1 2 282.304 -1.888 20 0 CAADLO Cn1nccc1C1(O)CC[NH+](CC(=O)NC(N)=O)CC1 ZINC001363817766 886986613 /nfs/dbraw/zinc/98/66/13/886986613.db2.gz UJWTWFNATLTTHN-UHFFFAOYSA-N 1 2 281.316 -1.102 20 0 CAADLO C[C@@H](NC(=O)C[NH2+][C@@]1(C(N)=O)CCOC1)C(=O)N(C)C ZINC001363810261 886988006 /nfs/dbraw/zinc/98/80/06/886988006.db2.gz VQQCUBXOZKZPQA-PELKAZGASA-N 1 2 286.332 -2.187 20 0 CAADLO O=C(C[N@H+]1CCN2CCOC[C@]2(CO)C1)NCC1CC1 ZINC001363849539 886995643 /nfs/dbraw/zinc/99/56/43/886995643.db2.gz VBUZCXYGMWPPQS-CQSZACIVSA-N 1 2 283.372 -1.109 20 0 CAADLO O=C(C[N@@H+]1CCN2CCOC[C@]2(CO)C1)NCC1CC1 ZINC001363849539 886995649 /nfs/dbraw/zinc/99/56/49/886995649.db2.gz VBUZCXYGMWPPQS-CQSZACIVSA-N 1 2 283.372 -1.109 20 0 CAADLO C[C@@H](NS(=O)(=O)N1CC[NH+](C)CC1)C(=O)NCCF ZINC001363869607 886998799 /nfs/dbraw/zinc/99/87/99/886998799.db2.gz ZWCJBMHAFIIYAM-SECBINFHSA-N 1 2 296.368 -1.458 20 0 CAADLO CNC(=O)CN(CC(=O)NC)C(=O)CCc1c[nH]c[nH+]1 ZINC001363887545 886999694 /nfs/dbraw/zinc/99/96/94/886999694.db2.gz OOANZRYTOLHDAH-UHFFFAOYSA-N 1 2 281.316 -1.337 20 0 CAADLO C[C@H]1CN(C)C(=O)CN1S(=O)(=O)N1CC[NH+](C)CC1 ZINC001363880007 886999529 /nfs/dbraw/zinc/99/95/29/886999529.db2.gz HZXPZILTXKJPQT-JTQLQIEISA-N 1 2 290.389 -1.359 20 0 CAADLO COC[C@](C)(CC(=O)OC)[NH2+]Cc1cn(CC(N)=O)nn1 ZINC001363908189 887001569 /nfs/dbraw/zinc/00/15/69/887001569.db2.gz HYYOQBVXZBRBLL-LBPRGKRZSA-N 1 2 299.331 -1.179 20 0 CAADLO COC[C@@](C)(CC(=O)OC)[NH2+]Cc1cn(CC(N)=O)nn1 ZINC001363908186 887002375 /nfs/dbraw/zinc/00/23/75/887002375.db2.gz HYYOQBVXZBRBLL-GFCCVEGCSA-N 1 2 299.331 -1.179 20 0 CAADLO CCn1ncnc1C[NH2+]C(C)(C)CNS(N)(=O)=O ZINC001363940614 887005581 /nfs/dbraw/zinc/00/55/81/887005581.db2.gz MNKJCMNLCXOUMS-UHFFFAOYSA-N 1 2 276.366 -1.041 20 0 CAADLO COC[C@](C)(O)CNS(=O)(=O)N1CC[NH+](C)CC1 ZINC001363971802 887013164 /nfs/dbraw/zinc/01/31/64/887013164.db2.gz CVKRDJASYCJJCP-SNVBAGLBSA-N 1 2 281.378 -1.534 20 0 CAADLO Cc1[nH+]c[nH]c1CC(=O)N1CC2(C1)C[C@@H](O)CNC2=O ZINC001363993829 887015396 /nfs/dbraw/zinc/01/53/96/887015396.db2.gz FKFUDGLEORFHPS-SECBINFHSA-N 1 2 278.312 -1.030 20 0 CAADLO C[C@@H]1C[C@@H](NS(=O)(=O)N2CC[NH+](C)CC2)C(=O)O1 ZINC001363997708 887016014 /nfs/dbraw/zinc/01/60/14/887016014.db2.gz KRUUZIQNDACGTR-RKDXNWHRSA-N 1 2 277.346 -1.228 20 0 CAADLO COC[C@@H](C(N)=O)N(C)S(=O)(=O)CCn1cc[nH+]c1 ZINC001364009235 887017895 /nfs/dbraw/zinc/01/78/95/887017895.db2.gz YHTQTQPOPPJPIA-VIFPVBQESA-N 1 2 290.345 -1.355 20 0 CAADLO COC(=O)N(C)CCNS(=O)(=O)N1CC[NH+](C)CC1 ZINC001364026161 887022475 /nfs/dbraw/zinc/02/24/75/887022475.db2.gz QQVFCQDAXFGWCH-UHFFFAOYSA-N 1 2 294.377 -1.234 20 0 CAADLO O=S(=O)(CCn1cc[nH+]c1)N[C@@H]1COCC[C@H]1O ZINC001364042184 887022678 /nfs/dbraw/zinc/02/26/78/887022678.db2.gz JSZPEHMSXIVXQV-NXEZZACHSA-N 1 2 275.330 -1.048 20 0 CAADLO Cn1c[nH+]cc1CNS(=O)(=O)CCS(C)(=O)=O ZINC001364042274 887023688 /nfs/dbraw/zinc/02/36/88/887023688.db2.gz KCYFBAAWDCRKJM-UHFFFAOYSA-N 1 2 281.359 -1.116 20 0 CAADLO COCCN(C)S(=O)(=O)N1CC[N@H+](C)[C@@H](CO)C1 ZINC001364048622 887027004 /nfs/dbraw/zinc/02/70/04/887027004.db2.gz KTUFIUZTTRDFHQ-SNVBAGLBSA-N 1 2 281.378 -1.582 20 0 CAADLO COCCN(C)S(=O)(=O)N1CC[N@@H+](C)[C@@H](CO)C1 ZINC001364048622 887027017 /nfs/dbraw/zinc/02/70/17/887027017.db2.gz KTUFIUZTTRDFHQ-SNVBAGLBSA-N 1 2 281.378 -1.582 20 0 CAADLO CS(=O)(=O)C1CN(C(=O)[C@@H]2C[N@@H+]3CCN2CCC3)C1 ZINC001364088434 887030936 /nfs/dbraw/zinc/03/09/36/887030936.db2.gz FRCBYINGKDLADG-NSHDSACASA-N 1 2 287.385 -1.368 20 0 CAADLO CS(=O)(=O)C1CN(C(=O)[C@@H]2C[N@H+]3CCN2CCC3)C1 ZINC001364088434 887030946 /nfs/dbraw/zinc/03/09/46/887030946.db2.gz FRCBYINGKDLADG-NSHDSACASA-N 1 2 287.385 -1.368 20 0 CAADLO CN(C[C@H](O)C[NH+]1CCOCC1)c1cc(C(N)=O)ncn1 ZINC001364170455 887038565 /nfs/dbraw/zinc/03/85/65/887038565.db2.gz JBLKVQRAFUHMBQ-JTQLQIEISA-N 1 2 295.343 -1.295 20 0 CAADLO CN(C[C@@H](O)C[NH+]1CCOCC1)c1cc(C(N)=O)ncn1 ZINC001364170460 887038768 /nfs/dbraw/zinc/03/87/68/887038768.db2.gz JBLKVQRAFUHMBQ-SNVBAGLBSA-N 1 2 295.343 -1.295 20 0 CAADLO Cn1c[nH+]cc1[C@H](CO)NC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001364190560 887042284 /nfs/dbraw/zinc/04/22/84/887042284.db2.gz DWQPPEOBIWMPDI-SFYZADRCSA-N 1 2 288.329 -1.739 20 0 CAADLO Cn1nnc2c1ncnc2N1CC2(C1)CC(=O)NCC[NH2+]2 ZINC001364222641 887044945 /nfs/dbraw/zinc/04/49/45/887044945.db2.gz WECOQONBUIOXTA-UHFFFAOYSA-N 1 2 288.315 -1.573 20 0 CAADLO Cn1ncc2c1nc[nH+]c2N1CCN(CC(N)=O)C(=O)C1 ZINC001364203365 887046405 /nfs/dbraw/zinc/04/64/05/887046405.db2.gz NQMCNZHGNDAAJC-UHFFFAOYSA-N 1 2 289.299 -1.503 20 0 CAADLO CN(C)c1nc(N)nc(C(=O)N2CC[N@H+](C)C[C@@H]2CO)n1 ZINC001364224117 887047012 /nfs/dbraw/zinc/04/70/12/887047012.db2.gz GKYAOPZPSGGIKK-MRVPVSSYSA-N 1 2 295.347 -1.732 20 0 CAADLO CN(C)c1nc(N)nc(C(=O)N2CC[N@@H+](C)C[C@@H]2CO)n1 ZINC001364224117 887047029 /nfs/dbraw/zinc/04/70/29/887047029.db2.gz GKYAOPZPSGGIKK-MRVPVSSYSA-N 1 2 295.347 -1.732 20 0 CAADLO Cn1ncc2c1nc[nH+]c2N1C[C@H](C(N)=O)[C@@H](C(N)=O)C1 ZINC001364233985 887050050 /nfs/dbraw/zinc/05/00/50/887050050.db2.gz ZSRADARYXYMYTQ-YUMQZZPRSA-N 1 2 289.299 -1.614 20 0 CAADLO COC(=O)[C@@H](Cn1cncn1)NC(=O)Cc1c[nH+]cn1C ZINC001364318828 887060857 /nfs/dbraw/zinc/06/08/57/887060857.db2.gz JWRRTKVCLASVSQ-SNVBAGLBSA-N 1 2 292.299 -1.088 20 0 CAADLO NS(=O)(=O)CCN1CC[NH+](CCc2cnccn2)CC1 ZINC001364360241 887067650 /nfs/dbraw/zinc/06/76/50/887067650.db2.gz YYBYMDOVQCPFMA-UHFFFAOYSA-N 1 2 299.400 -1.075 20 0 CAADLO NS(=O)(=O)CCN1CC[NH+](C[C@@H]2CCC(=O)N2)CC1 ZINC001364358454 887067922 /nfs/dbraw/zinc/06/79/22/887067922.db2.gz OJIKPKUISNPBGJ-JTQLQIEISA-N 1 2 290.389 -1.829 20 0 CAADLO COCCS(=O)(=O)CC(=O)N1CC([NH2+]C2COC2)C1 ZINC001364362918 887069335 /nfs/dbraw/zinc/06/93/35/887069335.db2.gz UPDHXIZSYDZFKD-UHFFFAOYSA-N 1 2 292.357 -1.753 20 0 CAADLO CO[C@@H]1CS(=O)(=O)C[C@@H]1[N@@H+]1CC[C@H](CO)[C@H](O)C1 ZINC001364405222 887080255 /nfs/dbraw/zinc/08/02/55/887080255.db2.gz SNPRBDBXFCJGOG-LMLFDSFASA-N 1 2 279.358 -1.527 20 0 CAADLO CO[C@@H]1CS(=O)(=O)C[C@@H]1[N@H+]1CC[C@H](CO)[C@H](O)C1 ZINC001364405222 887080269 /nfs/dbraw/zinc/08/02/69/887080269.db2.gz SNPRBDBXFCJGOG-LMLFDSFASA-N 1 2 279.358 -1.527 20 0 CAADLO CNC(=O)c1[nH]nnc1NC(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC001364430543 887081769 /nfs/dbraw/zinc/08/17/69/887081769.db2.gz CZRJJDZNWMKBNT-ZETCQYMHSA-N 1 2 297.319 -1.648 20 0 CAADLO CNC(=O)c1[nH]nnc1NC(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC001364430543 887081778 /nfs/dbraw/zinc/08/17/78/887081778.db2.gz CZRJJDZNWMKBNT-ZETCQYMHSA-N 1 2 297.319 -1.648 20 0 CAADLO C[C@H](c1nc(N)nc(N(C)C)n1)[N@@H+]1C[C@H](O)[C@@H](CO)C1 ZINC001364434454 887083055 /nfs/dbraw/zinc/08/30/55/887083055.db2.gz DZODPRBRLXOQMH-HLTSFMKQSA-N 1 2 282.348 -1.134 20 0 CAADLO C[C@H](c1nc(N)nc(N(C)C)n1)[N@H+]1C[C@H](O)[C@@H](CO)C1 ZINC001364434454 887083075 /nfs/dbraw/zinc/08/30/75/887083075.db2.gz DZODPRBRLXOQMH-HLTSFMKQSA-N 1 2 282.348 -1.134 20 0 CAADLO CNC(=O)c1[nH]nnc1NC(=O)N(C)CC[N@H+](C)CCO ZINC001364431488 887083750 /nfs/dbraw/zinc/08/37/50/887083750.db2.gz IUCVOZWREMPBFS-UHFFFAOYSA-N 1 2 299.335 -1.448 20 0 CAADLO CNC(=O)c1[nH]nnc1NC(=O)N(C)CC[N@@H+](C)CCO ZINC001364431488 887083763 /nfs/dbraw/zinc/08/37/63/887083763.db2.gz IUCVOZWREMPBFS-UHFFFAOYSA-N 1 2 299.335 -1.448 20 0 CAADLO O=C(C[N@@H+]1C[C@H](O)[C@@H](CO)C1)NCC(=O)N1CCCC1 ZINC001364419536 887084127 /nfs/dbraw/zinc/08/41/27/887084127.db2.gz WTARLBYMIKNPTB-MNOVXSKESA-N 1 2 285.344 -1.990 20 0 CAADLO O=C(C[N@H+]1C[C@H](O)[C@@H](CO)C1)NCC(=O)N1CCCC1 ZINC001364419536 887084137 /nfs/dbraw/zinc/08/41/37/887084137.db2.gz WTARLBYMIKNPTB-MNOVXSKESA-N 1 2 285.344 -1.990 20 0 CAADLO C[C@H]1C[N@H+](CCN2CCN(CC(N)=O)C(=O)C2)CCO1 ZINC001364435177 887084248 /nfs/dbraw/zinc/08/42/48/887084248.db2.gz JGJGUQZGNOSCPY-NSHDSACASA-N 1 2 284.360 -1.663 20 0 CAADLO C[C@H]1C[N@@H+](CCN2CCN(CC(N)=O)C(=O)C2)CCO1 ZINC001364435177 887084259 /nfs/dbraw/zinc/08/42/59/887084259.db2.gz JGJGUQZGNOSCPY-NSHDSACASA-N 1 2 284.360 -1.663 20 0 CAADLO COC(=O)c1cc(C(=O)N2CC[N@H+](C)[C@@H](CO)C2)n(C)n1 ZINC001364422355 887084415 /nfs/dbraw/zinc/08/44/15/887084415.db2.gz UKFMKGXKPUMZIZ-SECBINFHSA-N 1 2 296.327 -1.045 20 0 CAADLO COC(=O)c1cc(C(=O)N2CC[N@@H+](C)[C@@H](CO)C2)n(C)n1 ZINC001364422355 887084429 /nfs/dbraw/zinc/08/44/29/887084429.db2.gz UKFMKGXKPUMZIZ-SECBINFHSA-N 1 2 296.327 -1.045 20 0 CAADLO O=C(C[N@@H+]1CC[C@H](O)[C@H](CO)C1)NCC(=O)N1CCCC1 ZINC001364437877 887087576 /nfs/dbraw/zinc/08/75/76/887087576.db2.gz JLFSWAAATFATRQ-RYUDHWBXSA-N 1 2 299.371 -1.600 20 0 CAADLO O=C(C[N@H+]1CC[C@H](O)[C@H](CO)C1)NCC(=O)N1CCCC1 ZINC001364437877 887087586 /nfs/dbraw/zinc/08/75/86/887087586.db2.gz JLFSWAAATFATRQ-RYUDHWBXSA-N 1 2 299.371 -1.600 20 0 CAADLO NC(=O)C1([NH2+]Cc2nnc3c(=O)[nH]ccn23)CCOCC1 ZINC001364449249 887088985 /nfs/dbraw/zinc/08/89/85/887088985.db2.gz KGDMRERSSQNQHD-UHFFFAOYSA-N 1 2 292.299 -1.458 20 0 CAADLO Cn1cc(C[NH2+]C2(C(N)=O)CCS(=O)(=O)CC2)cn1 ZINC001364473448 887096021 /nfs/dbraw/zinc/09/60/21/887096021.db2.gz JETBKFLIRKFCNF-UHFFFAOYSA-N 1 2 286.357 -1.058 20 0 CAADLO C[C@@H](NC(=O)Cn1cnnn1)C(=O)NCc1c[nH+]cn1C ZINC001364496621 887098214 /nfs/dbraw/zinc/09/82/14/887098214.db2.gz DHVSLCNELBPBOR-MRVPVSSYSA-N 1 2 292.303 -1.772 20 0 CAADLO Cn1ccn2c(C[N@H+](C)C[C@H]3CNC(=O)C3)nnc2c1=O ZINC001364495431 887098248 /nfs/dbraw/zinc/09/82/48/887098248.db2.gz YOEDXYVUTYSTGS-SECBINFHSA-N 1 2 290.327 -1.004 20 0 CAADLO Cn1ccn2c(C[N@@H+](C)C[C@H]3CNC(=O)C3)nnc2c1=O ZINC001364495431 887098260 /nfs/dbraw/zinc/09/82/60/887098260.db2.gz YOEDXYVUTYSTGS-SECBINFHSA-N 1 2 290.327 -1.004 20 0 CAADLO CNC(=O)CN1CCC[N@H+](CCS(=O)(=O)NC)CC1 ZINC001364498434 887100323 /nfs/dbraw/zinc/10/03/23/887100323.db2.gz LZQGWEXEOBVEDW-UHFFFAOYSA-N 1 2 292.405 -1.711 20 0 CAADLO CNC(=O)CN1CCC[N@@H+](CCS(=O)(=O)NC)CC1 ZINC001364498434 887100331 /nfs/dbraw/zinc/10/03/31/887100331.db2.gz LZQGWEXEOBVEDW-UHFFFAOYSA-N 1 2 292.405 -1.711 20 0 CAADLO CNC(=O)C[N@@H+]1CCCN(CCS(=O)(=O)NC)CC1 ZINC001364498434 887100337 /nfs/dbraw/zinc/10/03/37/887100337.db2.gz LZQGWEXEOBVEDW-UHFFFAOYSA-N 1 2 292.405 -1.711 20 0 CAADLO CNC(=O)C[N@H+]1CCCN(CCS(=O)(=O)NC)CC1 ZINC001364498434 887100342 /nfs/dbraw/zinc/10/03/42/887100342.db2.gz LZQGWEXEOBVEDW-UHFFFAOYSA-N 1 2 292.405 -1.711 20 0 CAADLO C[N@@H+](Cc1nnc2c(=O)[nH]ccn12)C[C@@H]1CNC(=O)C1 ZINC001364513658 887103085 /nfs/dbraw/zinc/10/30/85/887103085.db2.gz LJIMPGCPHWRBFJ-QMMMGPOBSA-N 1 2 276.300 -1.015 20 0 CAADLO C[N@H+](Cc1nnc2c(=O)[nH]ccn12)C[C@@H]1CNC(=O)C1 ZINC001364513658 887103094 /nfs/dbraw/zinc/10/30/94/887103094.db2.gz LJIMPGCPHWRBFJ-QMMMGPOBSA-N 1 2 276.300 -1.015 20 0 CAADLO COC(=O)[C@H]1C[N@H+](Cc2nc(=O)n(C)[nH]2)C[C@H]1C(=O)OC ZINC001364544732 887105502 /nfs/dbraw/zinc/10/55/02/887105502.db2.gz CZWJHNOYYJXMOK-OCAPTIKFSA-N 1 2 298.299 -1.498 20 0 CAADLO COC(=O)[C@H]1C[N@@H+](Cc2nc(=O)n(C)[nH]2)C[C@H]1C(=O)OC ZINC001364544732 887105512 /nfs/dbraw/zinc/10/55/12/887105512.db2.gz CZWJHNOYYJXMOK-OCAPTIKFSA-N 1 2 298.299 -1.498 20 0 CAADLO NS(=O)(=O)C1CN(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001364602545 887114359 /nfs/dbraw/zinc/11/43/59/887114359.db2.gz YWKZTSLKJBXHGQ-MRVPVSSYSA-N 1 2 299.356 -1.120 20 0 CAADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@]1(C)CCC(=O)N1 ZINC001364652802 887116395 /nfs/dbraw/zinc/11/63/95/887116395.db2.gz XBMKQKXYMYCKRF-ZANVPECISA-N 1 2 293.327 -1.148 20 0 CAADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@]1(C)CCC(=O)N1 ZINC001364652802 887116401 /nfs/dbraw/zinc/11/64/01/887116401.db2.gz XBMKQKXYMYCKRF-ZANVPECISA-N 1 2 293.327 -1.148 20 0 CAADLO Cn1c[nH+]cc1CNC(=O)NC[C@@H]1CC(C(N)=O)=NO1 ZINC001364624830 887118137 /nfs/dbraw/zinc/11/81/37/887118137.db2.gz TWCHCKSGMXFXGW-QMMMGPOBSA-N 1 2 280.288 -1.151 20 0 CAADLO Cn1c[nH+]cc1CNC(=O)NC[C@H]1CC(C(N)=O)=NO1 ZINC001364624829 887118207 /nfs/dbraw/zinc/11/82/07/887118207.db2.gz TWCHCKSGMXFXGW-MRVPVSSYSA-N 1 2 280.288 -1.151 20 0 CAADLO CNC(=O)Cc1noc(C[N@H+](C[C@@H](C)O)[C@H](C)CO)n1 ZINC001364696006 887123421 /nfs/dbraw/zinc/12/34/21/887123421.db2.gz YFFGSTOJMYXVGL-RKDXNWHRSA-N 1 2 286.332 -1.078 20 0 CAADLO CNC(=O)Cc1noc(C[N@@H+](C[C@@H](C)O)[C@H](C)CO)n1 ZINC001364696006 887123424 /nfs/dbraw/zinc/12/34/24/887123424.db2.gz YFFGSTOJMYXVGL-RKDXNWHRSA-N 1 2 286.332 -1.078 20 0 CAADLO CNC(=O)Cc1noc(C[N@H+](C[C@H](C)O)[C@H](C)CO)n1 ZINC001364696001 887123599 /nfs/dbraw/zinc/12/35/99/887123599.db2.gz YFFGSTOJMYXVGL-BDAKNGLRSA-N 1 2 286.332 -1.078 20 0 CAADLO CNC(=O)Cc1noc(C[N@@H+](C[C@H](C)O)[C@H](C)CO)n1 ZINC001364696001 887123607 /nfs/dbraw/zinc/12/36/07/887123607.db2.gz YFFGSTOJMYXVGL-BDAKNGLRSA-N 1 2 286.332 -1.078 20 0 CAADLO NC(=O)Cn1cc(C[NH+]2CCC(CO)(CO)CC2)nn1 ZINC001364724784 887125929 /nfs/dbraw/zinc/12/59/29/887125929.db2.gz NZDHROLHYDBNTH-UHFFFAOYSA-N 1 2 283.332 -1.670 20 0 CAADLO Cn1c[nH+]cc1CNC(=O)NC[C@@H](O)Cn1ccnn1 ZINC001364730365 887125974 /nfs/dbraw/zinc/12/59/74/887125974.db2.gz UNZSGIDAKIZJJR-SNVBAGLBSA-N 1 2 279.304 -1.128 20 0 CAADLO CC[C@H]1COCC[N@@H+]1CCNC(=O)[C@H](CO)NC(N)=O ZINC001364716655 887126023 /nfs/dbraw/zinc/12/60/23/887126023.db2.gz FELDTWOXSDKYRS-UWVGGRQHSA-N 1 2 288.348 -1.757 20 0 CAADLO CC[C@H]1COCC[N@H+]1CCNC(=O)[C@H](CO)NC(N)=O ZINC001364716655 887126029 /nfs/dbraw/zinc/12/60/29/887126029.db2.gz FELDTWOXSDKYRS-UWVGGRQHSA-N 1 2 288.348 -1.757 20 0 CAADLO CCN(CC(=O)OC)S(=O)(=O)N1CC[NH+](C)CC1 ZINC001364766831 887132430 /nfs/dbraw/zinc/13/24/30/887132430.db2.gz KWPXOAYUHPKRML-UHFFFAOYSA-N 1 2 279.362 -1.027 20 0 CAADLO CO[C@H](C)c1noc(C[NH+]2C[C@@H](C(N)=O)[C@H](C(N)=O)C2)n1 ZINC001364758275 887132504 /nfs/dbraw/zinc/13/25/04/887132504.db2.gz UBMSXFYLOXWCMV-BWZBUEFSSA-N 1 2 297.315 -1.204 20 0 CAADLO CO[C@@H](C)c1noc(C[N@@H+]2C[C@H](C(N)=O)[C@H](C(N)=O)C2)n1 ZINC001364758273 887132590 /nfs/dbraw/zinc/13/25/90/887132590.db2.gz UBMSXFYLOXWCMV-BIIVOSGPSA-N 1 2 297.315 -1.204 20 0 CAADLO CO[C@@H](C)c1noc(C[N@H+]2C[C@H](C(N)=O)[C@H](C(N)=O)C2)n1 ZINC001364758273 887132598 /nfs/dbraw/zinc/13/25/98/887132598.db2.gz UBMSXFYLOXWCMV-BIIVOSGPSA-N 1 2 297.315 -1.204 20 0 CAADLO CCOC(=O)CN(C)S(=O)(=O)N1CC[NH+](C)CC1 ZINC001364794128 887135004 /nfs/dbraw/zinc/13/50/04/887135004.db2.gz ICXBGJBZQSETMX-UHFFFAOYSA-N 1 2 279.362 -1.027 20 0 CAADLO COC(=O)[C@@H]1CCN(S(=O)(=O)N2CC[NH+](C)CC2)C1 ZINC001364794167 887135269 /nfs/dbraw/zinc/13/52/69/887135269.db2.gz IVFGRRWCKYIQTC-SNVBAGLBSA-N 1 2 291.373 -1.027 20 0 CAADLO COC[C@@H](NC(=O)[C@H](C)N1CC[NH+](C)CC1)c1nn[nH]n1 ZINC001364813837 887138036 /nfs/dbraw/zinc/13/80/36/887138036.db2.gz KEBNIWKRDPUURW-VHSXEESVSA-N 1 2 297.363 -1.361 20 0 CAADLO COC[C@H](NC(=O)C1C[NH+]([C@H]2CCOC2)C1)c1nn[nH]n1 ZINC001364813651 887139196 /nfs/dbraw/zinc/13/91/96/887139196.db2.gz JRIJQRPLIMKTSQ-UWVGGRQHSA-N 1 2 296.331 -1.276 20 0 CAADLO CCOC(=O)[C@H](CO)NS(=O)(=O)N1CC[NH+](C)CC1 ZINC001364810285 887139974 /nfs/dbraw/zinc/13/99/74/887139974.db2.gz QWFQWDCKAUIACL-VIFPVBQESA-N 1 2 295.361 -2.008 20 0 CAADLO COC[C@@H](NS(=O)(=O)N1CC[NH+](C)CC1)C(=O)OC ZINC001364830880 887142275 /nfs/dbraw/zinc/14/22/75/887142275.db2.gz OTGOXJMHILHHIG-SECBINFHSA-N 1 2 295.361 -1.744 20 0 CAADLO COC(=O)CNC(=O)[C@@H](C)[NH2+][C@@H](C)c1nnnn1C ZINC001364834495 887142610 /nfs/dbraw/zinc/14/26/10/887142610.db2.gz CKXQBFCGWVMDIV-NKWVEPMBSA-N 1 2 270.293 -1.462 20 0 CAADLO COC(=O)CNC(=O)[C@@H](C)[NH2+][C@H](C)c1nnnn1C ZINC001364834500 887142709 /nfs/dbraw/zinc/14/27/09/887142709.db2.gz CKXQBFCGWVMDIV-RNFRBKRXSA-N 1 2 270.293 -1.462 20 0 CAADLO O=S(=O)(N[C@@H]1CCn2cc[nH+]c2C1)[C@@H]1COC[C@H]1O ZINC001364827660 887142856 /nfs/dbraw/zinc/14/28/56/887142856.db2.gz XGEACWPDXRMHKU-OPRDCNLKSA-N 1 2 287.341 -1.123 20 0 CAADLO C[C@H](NS(=O)(=O)N1CC[NH+](C)CC1)C(=O)N(C)C ZINC001364835780 887143428 /nfs/dbraw/zinc/14/34/28/887143428.db2.gz JQUKHKOCSGWTAL-VIFPVBQESA-N 1 2 278.378 -1.455 20 0 CAADLO CNC(=O)[C@@H](CO)NS(=O)(=O)CCn1cc[nH+]c1 ZINC001364839362 887146527 /nfs/dbraw/zinc/14/65/27/887146527.db2.gz UTRGSZNCIQIANG-MRVPVSSYSA-N 1 2 276.318 -2.091 20 0 CAADLO C[C@@H]1C[C@@H]1N1C[C@@H]([NH2+]Cc2cn(CC(N)=O)nn2)CC1=O ZINC001364875755 887148284 /nfs/dbraw/zinc/14/82/84/887148284.db2.gz BNKSDTCKAGGKHS-YWVKMMECSA-N 1 2 292.343 -1.138 20 0 CAADLO CC(C)N1C[C@H]([NH2+]Cc2cn(CC(N)=O)nn2)CC1=O ZINC001364873821 887148399 /nfs/dbraw/zinc/14/83/99/887148399.db2.gz NEQXEFNZXJYWPL-SECBINFHSA-N 1 2 280.332 -1.138 20 0 CAADLO C[C@@H]1C[C@H]1N1C[C@H]([NH2+]Cc2cn(CC(N)=O)nn2)CC1=O ZINC001364875752 887149074 /nfs/dbraw/zinc/14/90/74/887149074.db2.gz BNKSDTCKAGGKHS-FXPVBKGRSA-N 1 2 292.343 -1.138 20 0 CAADLO C[C@@H]1C[C@H]1N1C[C@@H]([NH2+]Cc2cn(CC(N)=O)nn2)CC1=O ZINC001364875754 887149229 /nfs/dbraw/zinc/14/92/29/887149229.db2.gz BNKSDTCKAGGKHS-WCABBAIRSA-N 1 2 292.343 -1.138 20 0 CAADLO NC(=O)Cn1cc(C[NH2+][C@H]2CC(=O)N(C3CC3)C2)nn1 ZINC001364882424 887152580 /nfs/dbraw/zinc/15/25/80/887152580.db2.gz JYZGBUWCLQHYJH-QMMMGPOBSA-N 1 2 278.316 -1.384 20 0 CAADLO CCn1cc(CNS(=O)(=O)N2CC[NH+](C)CC2)nn1 ZINC001364903380 887154626 /nfs/dbraw/zinc/15/46/26/887154626.db2.gz VOLICJGRLIXQLU-UHFFFAOYSA-N 1 2 288.377 -1.120 20 0 CAADLO Cn1c[nH+]cc1CN1CCN(C(=O)Cn2ncnn2)CC1 ZINC001364947115 887157453 /nfs/dbraw/zinc/15/74/53/887157453.db2.gz NKHFZZOKESLKQH-UHFFFAOYSA-N 1 2 290.331 -1.249 20 0 CAADLO CN1CCN(S(=O)(=O)N2CC[N@H+](C)[C@@H](CO)C2)CC1 ZINC001364950821 887157693 /nfs/dbraw/zinc/15/76/93/887157693.db2.gz PIAHYADRLXPHDH-LLVKDONJSA-N 1 2 292.405 -1.913 20 0 CAADLO CN1CCN(S(=O)(=O)N2CC[N@@H+](C)[C@@H](CO)C2)CC1 ZINC001364950821 887157699 /nfs/dbraw/zinc/15/76/99/887157699.db2.gz PIAHYADRLXPHDH-LLVKDONJSA-N 1 2 292.405 -1.913 20 0 CAADLO O=C(CCc1c[nH]c[nH+]1)N1CCN2[C@H](CNS2(=O)=O)C1 ZINC001364953689 887158058 /nfs/dbraw/zinc/15/80/58/887158058.db2.gz MYAFZKSIORFCTB-SNVBAGLBSA-N 1 2 299.356 -1.297 20 0 CAADLO O=C(CCc1c[nH+]c[nH]1)N1CCN2[C@H](CNS2(=O)=O)C1 ZINC001364953689 887158062 /nfs/dbraw/zinc/15/80/62/887158062.db2.gz MYAFZKSIORFCTB-SNVBAGLBSA-N 1 2 299.356 -1.297 20 0 CAADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NS(=O)(=O)c1c[nH]cn1 ZINC001364964344 887161152 /nfs/dbraw/zinc/16/11/52/887161152.db2.gz LPOQNPADQWPBOP-QMMMGPOBSA-N 1 2 298.328 -1.232 20 0 CAADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NS(=O)(=O)c1c[nH]cn1 ZINC001364964344 887161168 /nfs/dbraw/zinc/16/11/68/887161168.db2.gz LPOQNPADQWPBOP-QMMMGPOBSA-N 1 2 298.328 -1.232 20 0 CAADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NS(=O)(=O)N(C)C ZINC001364967145 887161719 /nfs/dbraw/zinc/16/17/19/887161719.db2.gz WILNKWTZBMGXRE-QMMMGPOBSA-N 1 2 275.334 -1.537 20 0 CAADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NS(=O)(=O)N(C)C ZINC001364967145 887161721 /nfs/dbraw/zinc/16/17/21/887161721.db2.gz WILNKWTZBMGXRE-QMMMGPOBSA-N 1 2 275.334 -1.537 20 0 CAADLO NC(=O)Cn1cc(C[N@@H+]2CC[C@@H]3NC(=O)OC[C@H]3C2)nn1 ZINC001364961580 887161929 /nfs/dbraw/zinc/16/19/29/887161929.db2.gz HNPHAPJKUMHKBH-SCZZXKLOSA-N 1 2 294.315 -1.306 20 0 CAADLO NC(=O)Cn1cc(C[N@H+]2CC[C@@H]3NC(=O)OC[C@H]3C2)nn1 ZINC001364961580 887161933 /nfs/dbraw/zinc/16/19/33/887161933.db2.gz HNPHAPJKUMHKBH-SCZZXKLOSA-N 1 2 294.315 -1.306 20 0 CAADLO CNC(=O)CCN(C)S(=O)(=O)N1CC[NH+](C)CC1 ZINC001365032551 887164397 /nfs/dbraw/zinc/16/43/97/887164397.db2.gz BYQICANSQYZOOQ-UHFFFAOYSA-N 1 2 278.378 -1.454 20 0 CAADLO Cn1c[nH+]cc1CC(=O)NC[C@H](O)CS(C)(=O)=O ZINC001365064953 887166845 /nfs/dbraw/zinc/16/68/45/887166845.db2.gz KUABDFHBZMBYGN-VIFPVBQESA-N 1 2 275.330 -1.516 20 0 CAADLO C[C@@H](C(=O)NC[C@H](O)CS(C)(=O)=O)n1cc[nH+]c1 ZINC001365065440 887167396 /nfs/dbraw/zinc/16/73/96/887167396.db2.gz QAIYXKTZBAREND-IUCAKERBSA-N 1 2 275.330 -1.034 20 0 CAADLO C[C@H](C(=O)NC[C@H](O)CS(C)(=O)=O)n1cc[nH+]c1 ZINC001365065436 887167552 /nfs/dbraw/zinc/16/75/52/887167552.db2.gz QAIYXKTZBAREND-BDAKNGLRSA-N 1 2 275.330 -1.034 20 0 CAADLO NC(=O)C[N@@H+]1CCCN(c2nccnc2C(N)=O)CC1 ZINC001365215830 887182073 /nfs/dbraw/zinc/18/20/73/887182073.db2.gz RDEMRSBIUSXGBE-UHFFFAOYSA-N 1 2 278.316 -1.427 20 0 CAADLO NC(=O)C[N@H+]1CCCN(c2nccnc2C(N)=O)CC1 ZINC001365215830 887182078 /nfs/dbraw/zinc/18/20/78/887182078.db2.gz RDEMRSBIUSXGBE-UHFFFAOYSA-N 1 2 278.316 -1.427 20 0 CAADLO Cn1c(CNC(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)n[nH]c1=O ZINC001365247979 887185194 /nfs/dbraw/zinc/18/51/94/887185194.db2.gz AYZQNYCESUSYOT-DTWKUNHWSA-N 1 2 296.331 -1.519 20 0 CAADLO Cn1c(CNC(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)n[nH]c1=O ZINC001365247979 887185202 /nfs/dbraw/zinc/18/52/02/887185202.db2.gz AYZQNYCESUSYOT-DTWKUNHWSA-N 1 2 296.331 -1.519 20 0 CAADLO C[C@H](C[NH+]1CCOCC1)NC(=O)N1C[C@H](O)[C@H](CO)C1 ZINC001365304647 887190277 /nfs/dbraw/zinc/19/02/77/887190277.db2.gz SKPFXNHKZUHJQP-WOPDTQHZSA-N 1 2 287.360 -1.298 20 0 CAADLO CN(C)C(=O)N[C@H]1CCC[N@H+](CC(=O)NC(N)=O)C1 ZINC001365310592 887190464 /nfs/dbraw/zinc/19/04/64/887190464.db2.gz QZXGQQMYCSJARZ-QMMMGPOBSA-N 1 2 271.321 -1.083 20 0 CAADLO CN(C)C(=O)N[C@H]1CCC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001365310592 887190473 /nfs/dbraw/zinc/19/04/73/887190473.db2.gz QZXGQQMYCSJARZ-QMMMGPOBSA-N 1 2 271.321 -1.083 20 0 CAADLO C[C@@H](CNC(=O)N[C@@H]1COC[C@@H]1O)[NH+]1CCN(C)CC1 ZINC001365280665 887191425 /nfs/dbraw/zinc/19/14/25/887191425.db2.gz YLTBBPDFKCXEIX-TUAOUCFPSA-N 1 2 286.376 -1.319 20 0 CAADLO CC(=O)[C@](C)(O)C[NH+]1CCN(CCS(N)(=O)=O)CC1 ZINC001365274408 887191461 /nfs/dbraw/zinc/19/14/61/887191461.db2.gz SFHXZMUWJQTUIC-LLVKDONJSA-N 1 2 293.389 -1.768 20 0 CAADLO C[C@H](C[NH+]1CCOCC1)NC(=O)N1C[C@H](O)[C@@H](CO)C1 ZINC001365304646 887191981 /nfs/dbraw/zinc/19/19/81/887191981.db2.gz SKPFXNHKZUHJQP-UTUOFQBUSA-N 1 2 287.360 -1.298 20 0 CAADLO Cn1cc(N2CC[C@H]([N@@H+]3CC[C@@H](O)[C@@H](O)C3)C2=O)cn1 ZINC001365323069 887193812 /nfs/dbraw/zinc/19/38/12/887193812.db2.gz RZSNOMJLJXEABU-TUAOUCFPSA-N 1 2 280.328 -1.047 20 0 CAADLO Cn1cc(N2CC[C@H]([N@H+]3CC[C@@H](O)[C@@H](O)C3)C2=O)cn1 ZINC001365323069 887193815 /nfs/dbraw/zinc/19/38/15/887193815.db2.gz RZSNOMJLJXEABU-TUAOUCFPSA-N 1 2 280.328 -1.047 20 0 CAADLO NS(=O)(=O)c1cc(C[NH+]2C[C@@H](CO)[C@H](CO)C2)co1 ZINC001365324697 887194496 /nfs/dbraw/zinc/19/44/96/887194496.db2.gz WXFPPYOYEWXUSR-UWVGGRQHSA-N 1 2 290.341 -1.040 20 0 CAADLO C[C@H](CN1CC[NH+](C)CC1)[NH2+]Cc1cn(CC(N)=O)nn1 ZINC001365356838 887198332 /nfs/dbraw/zinc/19/83/32/887198332.db2.gz HWRHAKUKVFZYBE-LLVKDONJSA-N 1 2 295.391 -1.511 20 0 CAADLO C[C@@H](CN1CC[NH+](C)CC1)[NH2+]Cc1cn(CC(N)=O)nn1 ZINC001365356840 887198724 /nfs/dbraw/zinc/19/87/24/887198724.db2.gz HWRHAKUKVFZYBE-NSHDSACASA-N 1 2 295.391 -1.511 20 0 CAADLO CO[C@@H]1CN(S(=O)(=O)N2CC[NH+](C)CC2)CCO1 ZINC001365380960 887202557 /nfs/dbraw/zinc/20/25/57/887202557.db2.gz JLZFNAPPWIUAKQ-JTQLQIEISA-N 1 2 279.362 -1.217 20 0 CAADLO CO[C@H]1CN(S(=O)(=O)N2CC[NH+](C)CC2)CCO1 ZINC001365380963 887202817 /nfs/dbraw/zinc/20/28/17/887202817.db2.gz JLZFNAPPWIUAKQ-SNVBAGLBSA-N 1 2 279.362 -1.217 20 0 CAADLO Cn1c[nH+]c(CCNC(=O)N2CC(S(N)(=O)=O)C2)c1 ZINC001365397145 887204856 /nfs/dbraw/zinc/20/48/56/887204856.db2.gz NFCOSECNHALEFU-UHFFFAOYSA-N 1 2 287.345 -1.355 20 0 CAADLO CCN1CCC[C@@H]([NH2+]Cc2cn(CC(N)=O)nn2)C1=O ZINC001365486918 887216788 /nfs/dbraw/zinc/21/67/88/887216788.db2.gz AEEOEUSDQICDTA-SNVBAGLBSA-N 1 2 280.332 -1.136 20 0 CAADLO CCN1CCC[C@H]([NH2+]Cc2cn(CC(N)=O)nn2)C1=O ZINC001365486917 887217236 /nfs/dbraw/zinc/21/72/36/887217236.db2.gz AEEOEUSDQICDTA-JTQLQIEISA-N 1 2 280.332 -1.136 20 0 CAADLO COC(=O)[C@@H](CO)NS(=O)(=O)N1CC[NH+](C)CC1 ZINC001365683689 887234467 /nfs/dbraw/zinc/23/44/67/887234467.db2.gz APSNLJJCNKDZTC-MRVPVSSYSA-N 1 2 281.334 -2.398 20 0 CAADLO COC(=O)[C@H](CO)NS(=O)(=O)N1CC[NH+](C)CC1 ZINC001365683690 887234701 /nfs/dbraw/zinc/23/47/01/887234701.db2.gz APSNLJJCNKDZTC-QMMMGPOBSA-N 1 2 281.334 -2.398 20 0 CAADLO COCC[C@H](NS(=O)(=O)CCn1cc[nH+]c1)C(N)=O ZINC001365683936 887235096 /nfs/dbraw/zinc/23/50/96/887235096.db2.gz IXNWBKXIHQOTNM-VIFPVBQESA-N 1 2 290.345 -1.307 20 0 CAADLO COCC[C@@H](NS(=O)(=O)CCn1cc[nH+]c1)C(N)=O ZINC001365683935 887235953 /nfs/dbraw/zinc/23/59/53/887235953.db2.gz IXNWBKXIHQOTNM-SECBINFHSA-N 1 2 290.345 -1.307 20 0 CAADLO CC(=O)N1CC[C@@H](NS(=O)(=O)N2CC[NH+](C)CC2)C1 ZINC001365723469 887243466 /nfs/dbraw/zinc/24/34/66/887243466.db2.gz NMYZBLHMEFJTIC-LLVKDONJSA-N 1 2 290.389 -1.311 20 0 CAADLO C[N@H+]1C[C@H]2CC[C@@H](C1)N2S(=O)(=O)[C@@H]1COC[C@H]1O ZINC001365739929 887247920 /nfs/dbraw/zinc/24/79/20/887247920.db2.gz GMORIXHHAZJUPR-LMLFDSFASA-N 1 2 276.358 -1.146 20 0 CAADLO C[N@@H+]1C[C@H]2CC[C@@H](C1)N2S(=O)(=O)[C@@H]1COC[C@H]1O ZINC001365739929 887247936 /nfs/dbraw/zinc/24/79/36/887247936.db2.gz GMORIXHHAZJUPR-LMLFDSFASA-N 1 2 276.358 -1.146 20 0 CAADLO CCC(=O)NCC(=O)N[C@@H]1CCC[N@H+](CC(N)=O)C1 ZINC001365924813 887251394 /nfs/dbraw/zinc/25/13/94/887251394.db2.gz DSLVXRFECXVFFV-SECBINFHSA-N 1 2 270.333 -1.422 20 0 CAADLO CCC(=O)NCC(=O)N[C@@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001365924813 887251408 /nfs/dbraw/zinc/25/14/08/887251408.db2.gz DSLVXRFECXVFFV-SECBINFHSA-N 1 2 270.333 -1.422 20 0 CAADLO CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)Cn2ncnn2)C1 ZINC001365933365 887251478 /nfs/dbraw/zinc/25/14/78/887251478.db2.gz DHGZKLBMSKHLIU-JTQLQIEISA-N 1 2 295.347 -1.610 20 0 CAADLO CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)Cn2ncnn2)C1 ZINC001365933365 887251494 /nfs/dbraw/zinc/25/14/94/887251494.db2.gz DHGZKLBMSKHLIU-JTQLQIEISA-N 1 2 295.347 -1.610 20 0 CAADLO CC(C)NC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H](C)NC(N)=O)C1 ZINC001365970824 887253124 /nfs/dbraw/zinc/25/31/24/887253124.db2.gz ITSGYEPMNMWWPE-UWVGGRQHSA-N 1 2 299.375 -1.242 20 0 CAADLO CC(C)NC(=O)C[N@H+]1CC[C@H](NC(=O)[C@H](C)NC(N)=O)C1 ZINC001365970824 887253140 /nfs/dbraw/zinc/25/31/40/887253140.db2.gz ITSGYEPMNMWWPE-UWVGGRQHSA-N 1 2 299.375 -1.242 20 0 CAADLO CCC(=O)NCC(=O)N[C@@H]1CC[N@H+](CC(=O)NC)C1 ZINC001365971716 887253223 /nfs/dbraw/zinc/25/32/23/887253223.db2.gz MWWBRBHCWQLIGO-SECBINFHSA-N 1 2 270.333 -1.551 20 0 CAADLO CCC(=O)NCC(=O)N[C@@H]1CC[N@@H+](CC(=O)NC)C1 ZINC001365971716 887253240 /nfs/dbraw/zinc/25/32/40/887253240.db2.gz MWWBRBHCWQLIGO-SECBINFHSA-N 1 2 270.333 -1.551 20 0 CAADLO NC(=O)NC(=O)C[N@@H+]1CC[C@H](NC(=O)Cc2ccon2)C1 ZINC001365970653 887254885 /nfs/dbraw/zinc/25/48/85/887254885.db2.gz KQHAFKXFLCDYGF-VIFPVBQESA-N 1 2 295.299 -1.398 20 0 CAADLO NC(=O)NC(=O)C[N@H+]1CC[C@H](NC(=O)Cc2ccon2)C1 ZINC001365970653 887254899 /nfs/dbraw/zinc/25/48/99/887254899.db2.gz KQHAFKXFLCDYGF-VIFPVBQESA-N 1 2 295.299 -1.398 20 0 CAADLO Cn1nccc1C(=O)N[C@@H]1CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001365969710 887257365 /nfs/dbraw/zinc/25/73/65/887257365.db2.gz GQHFMNZEVLOFCH-MRVPVSSYSA-N 1 2 294.315 -1.581 20 0 CAADLO Cn1nccc1C(=O)N[C@@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001365969710 887257377 /nfs/dbraw/zinc/25/73/77/887257377.db2.gz GQHFMNZEVLOFCH-MRVPVSSYSA-N 1 2 294.315 -1.581 20 0 CAADLO CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H](C)NC(C)=O)C1 ZINC001365968914 887258190 /nfs/dbraw/zinc/25/81/90/887258190.db2.gz JQCWCKJTPCRTOW-KOLCDFICSA-N 1 2 284.360 -1.162 20 0 CAADLO CCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H](C)NC(C)=O)C1 ZINC001365968914 887258206 /nfs/dbraw/zinc/25/82/06/887258206.db2.gz JQCWCKJTPCRTOW-KOLCDFICSA-N 1 2 284.360 -1.162 20 0 CAADLO CC(C)NC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001365971710 887258481 /nfs/dbraw/zinc/25/84/81/887258481.db2.gz BLOCOAWFGKLQRE-VHSXEESVSA-N 1 2 297.359 -1.617 20 0 CAADLO CC(C)NC(=O)C[N@H+]1CC[C@H](NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001365971710 887258501 /nfs/dbraw/zinc/25/85/01/887258501.db2.gz BLOCOAWFGKLQRE-VHSXEESVSA-N 1 2 297.359 -1.617 20 0 CAADLO NC(=O)NC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCOC2)C1 ZINC001365978113 887259434 /nfs/dbraw/zinc/25/94/34/887259434.db2.gz ULJITEZAXATKLS-RKDXNWHRSA-N 1 2 284.316 -1.592 20 0 CAADLO NC(=O)NC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCOC2)C1 ZINC001365978113 887259452 /nfs/dbraw/zinc/25/94/52/887259452.db2.gz ULJITEZAXATKLS-RKDXNWHRSA-N 1 2 284.316 -1.592 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)CCc2nnc[nH]2)C1 ZINC001365977331 887260145 /nfs/dbraw/zinc/26/01/45/887260145.db2.gz TWHVDROVMBTWDP-VIFPVBQESA-N 1 2 280.332 -1.326 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)CCc2nnc[nH]2)C1 ZINC001365977331 887260160 /nfs/dbraw/zinc/26/01/60/887260160.db2.gz TWHVDROVMBTWDP-VIFPVBQESA-N 1 2 280.332 -1.326 20 0 CAADLO CO[C@H](C)C(=O)N[C@H]1CC[N@H+](CCNS(C)(=O)=O)C1 ZINC001365985873 887260469 /nfs/dbraw/zinc/26/04/69/887260469.db2.gz NTWFPMBYSZOJAO-ZJUUUORDSA-N 1 2 293.389 -1.239 20 0 CAADLO CO[C@H](C)C(=O)N[C@H]1CC[N@@H+](CCNS(C)(=O)=O)C1 ZINC001365985873 887260482 /nfs/dbraw/zinc/26/04/82/887260482.db2.gz NTWFPMBYSZOJAO-ZJUUUORDSA-N 1 2 293.389 -1.239 20 0 CAADLO C[C@H](C(=O)NC(N)=O)[N@@H+]1CC[C@@H](NC(=O)c2ncc[nH]2)C1 ZINC001365976056 887260542 /nfs/dbraw/zinc/26/05/42/887260542.db2.gz LQVPLEFYSKZAFT-HTQZYQBOSA-N 1 2 294.315 -1.203 20 0 CAADLO C[C@H](C(=O)NC(N)=O)[N@H+]1CC[C@@H](NC(=O)c2ncc[nH]2)C1 ZINC001365976056 887260554 /nfs/dbraw/zinc/26/05/54/887260554.db2.gz LQVPLEFYSKZAFT-HTQZYQBOSA-N 1 2 294.315 -1.203 20 0 CAADLO CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCC(=O)N2)C1 ZINC001365994790 887261063 /nfs/dbraw/zinc/26/10/63/887261063.db2.gz ZJDUZWBVOLASHC-WDEREUQCSA-N 1 2 296.371 -1.018 20 0 CAADLO CCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCCC(=O)N2)C1 ZINC001365994790 887261078 /nfs/dbraw/zinc/26/10/78/887261078.db2.gz ZJDUZWBVOLASHC-WDEREUQCSA-N 1 2 296.371 -1.018 20 0 CAADLO CC[C@@H](NC(C)=O)C(=O)N[C@@H]1CC[N@H+](CC(=O)NC)C1 ZINC001365982631 887262399 /nfs/dbraw/zinc/26/23/99/887262399.db2.gz BGPUVRLYTRGUBE-GHMZBOCLSA-N 1 2 284.360 -1.162 20 0 CAADLO CC[C@@H](NC(C)=O)C(=O)N[C@@H]1CC[N@@H+](CC(=O)NC)C1 ZINC001365982631 887262412 /nfs/dbraw/zinc/26/24/12/887262412.db2.gz BGPUVRLYTRGUBE-GHMZBOCLSA-N 1 2 284.360 -1.162 20 0 CAADLO Cn1cnn(CCC(=O)N[C@@H]2CC[N@H+](CC(N)=O)C2)c1=O ZINC001365978651 887263482 /nfs/dbraw/zinc/26/34/82/887263482.db2.gz IXICWHXJVSDOQZ-SECBINFHSA-N 1 2 296.331 -2.352 20 0 CAADLO Cn1cnn(CCC(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C2)c1=O ZINC001365978651 887263499 /nfs/dbraw/zinc/26/34/99/887263499.db2.gz IXICWHXJVSDOQZ-SECBINFHSA-N 1 2 296.331 -2.352 20 0 CAADLO CC[C@H](NC(C)=O)C(=O)N[C@H]1CC[N@H+](CC(=O)NC)C1 ZINC001365982639 887264938 /nfs/dbraw/zinc/26/49/38/887264938.db2.gz BGPUVRLYTRGUBE-QWRGUYRKSA-N 1 2 284.360 -1.162 20 0 CAADLO CC[C@H](NC(C)=O)C(=O)N[C@H]1CC[N@@H+](CC(=O)NC)C1 ZINC001365982639 887264957 /nfs/dbraw/zinc/26/49/57/887264957.db2.gz BGPUVRLYTRGUBE-QWRGUYRKSA-N 1 2 284.360 -1.162 20 0 CAADLO CNC(=O)NCC(=O)N[C@H]1C[C@H]([NH2+]Cc2nnn(C)n2)C1 ZINC001366113390 887272704 /nfs/dbraw/zinc/27/27/04/887272704.db2.gz REQRWDNUZPTLSU-ZKCHVHJHSA-N 1 2 296.335 -2.124 20 0 CAADLO C[C@@H](CNC(=O)Cc1cc[nH]n1)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001366268850 887280895 /nfs/dbraw/zinc/28/08/95/887280895.db2.gz VXWCBUONYOWVGP-QMMMGPOBSA-N 1 2 293.331 -1.332 20 0 CAADLO C[C@H](CNC(=O)Cn1cnnn1)[NH2+]Cc1cnsn1 ZINC001366254256 887281728 /nfs/dbraw/zinc/28/17/28/887281728.db2.gz VYSNOQDORZAUHG-SSDOTTSWSA-N 1 2 282.333 -1.181 20 0 CAADLO C[C@@H](CNC(=O)CS(C)(=O)=O)[NH2+]Cc1nnnn1C ZINC001366258992 887282467 /nfs/dbraw/zinc/28/24/67/887282467.db2.gz LADBFIAOIDWVGA-ZETCQYMHSA-N 1 2 290.349 -2.151 20 0 CAADLO Cc1nonc1C(=O)NC[C@@H](C)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001366372834 887295116 /nfs/dbraw/zinc/29/51/16/887295116.db2.gz MJRUPUUBBGWIMB-ZCFIWIBFSA-N 1 2 295.303 -1.292 20 0 CAADLO CN(C)C(=O)C[N@H+](C)CCNC(=O)[C@H]1CCNC(=O)C1 ZINC001366518814 887304511 /nfs/dbraw/zinc/30/45/11/887304511.db2.gz ARRGHBKPOOMSQB-JTQLQIEISA-N 1 2 284.360 -1.351 20 0 CAADLO CN(C)C(=O)C[N@@H+](C)CCNC(=O)[C@H]1CCNC(=O)C1 ZINC001366518814 887304523 /nfs/dbraw/zinc/30/45/23/887304523.db2.gz ARRGHBKPOOMSQB-JTQLQIEISA-N 1 2 284.360 -1.351 20 0 CAADLO C[N@H+](CCNC(=O)CCc1nnc[nH]1)[C@@H]1CCNC1=O ZINC001366517109 887305412 /nfs/dbraw/zinc/30/54/12/887305412.db2.gz CQCBTLSUEBLQFJ-SECBINFHSA-N 1 2 280.332 -1.326 20 0 CAADLO C[N@@H+](CCNC(=O)CCc1nnc[nH]1)[C@@H]1CCNC1=O ZINC001366517109 887305423 /nfs/dbraw/zinc/30/54/23/887305423.db2.gz CQCBTLSUEBLQFJ-SECBINFHSA-N 1 2 280.332 -1.326 20 0 CAADLO C[N@H+](CCNC(=O)CCc1nc[nH]n1)[C@@H]1CCNC1=O ZINC001366517109 887305438 /nfs/dbraw/zinc/30/54/38/887305438.db2.gz CQCBTLSUEBLQFJ-SECBINFHSA-N 1 2 280.332 -1.326 20 0 CAADLO C[N@@H+](CCNC(=O)CCc1nc[nH]n1)[C@@H]1CCNC1=O ZINC001366517109 887305453 /nfs/dbraw/zinc/30/54/53/887305453.db2.gz CQCBTLSUEBLQFJ-SECBINFHSA-N 1 2 280.332 -1.326 20 0 CAADLO CC[C@@H](C(N)=O)[N@H+](C)CCNC(=O)Cc1n[nH]c(C)n1 ZINC001366529357 887307352 /nfs/dbraw/zinc/30/73/52/887307352.db2.gz JUTMXTQDWXEGAS-VIFPVBQESA-N 1 2 282.348 -1.032 20 0 CAADLO CC[C@@H](C(N)=O)[N@@H+](C)CCNC(=O)Cc1n[nH]c(C)n1 ZINC001366529357 887307358 /nfs/dbraw/zinc/30/73/58/887307358.db2.gz JUTMXTQDWXEGAS-VIFPVBQESA-N 1 2 282.348 -1.032 20 0 CAADLO CCNC(=O)C[N@H+](C)CCNC(=O)[C@H]1CC(=O)N(C)C1 ZINC001366533467 887308365 /nfs/dbraw/zinc/30/83/65/887308365.db2.gz CHZZDSNFSMPXIV-JTQLQIEISA-N 1 2 284.360 -1.351 20 0 CAADLO CCNC(=O)C[N@@H+](C)CCNC(=O)[C@H]1CC(=O)N(C)C1 ZINC001366533467 887308377 /nfs/dbraw/zinc/30/83/77/887308377.db2.gz CHZZDSNFSMPXIV-JTQLQIEISA-N 1 2 284.360 -1.351 20 0 CAADLO CNC(=O)C[N@H+](C)CCNC(=O)c1cccn2nnnc12 ZINC001366536662 887308484 /nfs/dbraw/zinc/30/84/84/887308484.db2.gz WMIZPJVSXYUFQV-UHFFFAOYSA-N 1 2 291.315 -1.468 20 0 CAADLO CNC(=O)C[N@@H+](C)CCNC(=O)c1cccn2nnnc12 ZINC001366536662 887308496 /nfs/dbraw/zinc/30/84/96/887308496.db2.gz WMIZPJVSXYUFQV-UHFFFAOYSA-N 1 2 291.315 -1.468 20 0 CAADLO CN(C)C(=O)C[N@H+](C)CCNC(=O)C[C@@H]1CCNC1=O ZINC001366541798 887308522 /nfs/dbraw/zinc/30/85/22/887308522.db2.gz TXHMHNWTHLUIQU-JTQLQIEISA-N 1 2 284.360 -1.351 20 0 CAADLO CN(C)C(=O)C[N@@H+](C)CCNC(=O)C[C@@H]1CCNC1=O ZINC001366541798 887308532 /nfs/dbraw/zinc/30/85/32/887308532.db2.gz TXHMHNWTHLUIQU-JTQLQIEISA-N 1 2 284.360 -1.351 20 0 CAADLO C[C@H](NC(N)=O)C(=O)NCC[N@H+](C)CC(=O)N(C)C ZINC001366525987 887308736 /nfs/dbraw/zinc/30/87/36/887308736.db2.gz LRWIPOBSHWYCLQ-QMMMGPOBSA-N 1 2 273.337 -1.821 20 0 CAADLO C[C@H](NC(N)=O)C(=O)NCC[N@@H+](C)CC(=O)N(C)C ZINC001366525987 887308744 /nfs/dbraw/zinc/30/87/44/887308744.db2.gz LRWIPOBSHWYCLQ-QMMMGPOBSA-N 1 2 273.337 -1.821 20 0 CAADLO CC[C@H](C(N)=O)[N@H+](C)CCNC(=O)Cc1n[nH]c(C)n1 ZINC001366529353 887309040 /nfs/dbraw/zinc/30/90/40/887309040.db2.gz JUTMXTQDWXEGAS-SECBINFHSA-N 1 2 282.348 -1.032 20 0 CAADLO CC[C@H](C(N)=O)[N@@H+](C)CCNC(=O)Cc1n[nH]c(C)n1 ZINC001366529353 887309053 /nfs/dbraw/zinc/30/90/53/887309053.db2.gz JUTMXTQDWXEGAS-SECBINFHSA-N 1 2 282.348 -1.032 20 0 CAADLO CNC(=O)NCC(=O)NCC[N@H+](C)CC(=O)NC1CC1 ZINC001366535227 887309220 /nfs/dbraw/zinc/30/92/20/887309220.db2.gz GJMMDJIKCARRGW-UHFFFAOYSA-N 1 2 285.348 -1.758 20 0 CAADLO CNC(=O)NCC(=O)NCC[N@@H+](C)CC(=O)NC1CC1 ZINC001366535227 887309232 /nfs/dbraw/zinc/30/92/32/887309232.db2.gz GJMMDJIKCARRGW-UHFFFAOYSA-N 1 2 285.348 -1.758 20 0 CAADLO C[N@H+](CCNC(=O)COCc1cc[nH]c(=O)c1)CC(N)=O ZINC001366542598 887309468 /nfs/dbraw/zinc/30/94/68/887309468.db2.gz WWSXQMJPXWJYBK-UHFFFAOYSA-N 1 2 296.327 -1.163 20 0 CAADLO C[N@@H+](CCNC(=O)COCc1cc[nH]c(=O)c1)CC(N)=O ZINC001366542598 887309487 /nfs/dbraw/zinc/30/94/87/887309487.db2.gz WWSXQMJPXWJYBK-UHFFFAOYSA-N 1 2 296.327 -1.163 20 0 CAADLO CNC(=O)C[N@H+](C)CCNC(=O)CNC(=O)N1CCCC1 ZINC001366532518 887311978 /nfs/dbraw/zinc/31/19/78/887311978.db2.gz ZWEGKPODDROHTA-UHFFFAOYSA-N 1 2 299.375 -1.414 20 0 CAADLO CNC(=O)C[N@@H+](C)CCNC(=O)CNC(=O)N1CCCC1 ZINC001366532518 887311989 /nfs/dbraw/zinc/31/19/89/887311989.db2.gz ZWEGKPODDROHTA-UHFFFAOYSA-N 1 2 299.375 -1.414 20 0 CAADLO CN(C)C(=O)C[N@H+](C)CCNC(=O)c1cc(=O)n(C)cn1 ZINC001366541126 887312502 /nfs/dbraw/zinc/31/25/02/887312502.db2.gz PBJVCXCQVFCFGK-UHFFFAOYSA-N 1 2 295.343 -1.470 20 0 CAADLO CN(C)C(=O)C[N@@H+](C)CCNC(=O)c1cc(=O)n(C)cn1 ZINC001366541126 887312513 /nfs/dbraw/zinc/31/25/13/887312513.db2.gz PBJVCXCQVFCFGK-UHFFFAOYSA-N 1 2 295.343 -1.470 20 0 CAADLO COC[C@H](OC)C(=O)NCC[N@H+](C)CC(=O)N1CCC1 ZINC001366560862 887314380 /nfs/dbraw/zinc/31/43/80/887314380.db2.gz JLUOSMREBPOJFF-NSHDSACASA-N 1 2 287.360 -1.072 20 0 CAADLO COC[C@H](OC)C(=O)NCC[N@@H+](C)CC(=O)N1CCC1 ZINC001366560862 887314395 /nfs/dbraw/zinc/31/43/95/887314395.db2.gz JLUOSMREBPOJFF-NSHDSACASA-N 1 2 287.360 -1.072 20 0 CAADLO C[N@H+](CCNC(=O)[C@H]1CCn2cncc2C1)CC(N)=O ZINC001366545898 887314840 /nfs/dbraw/zinc/31/48/40/887314840.db2.gz XQHLBIGKWXXICW-JTQLQIEISA-N 1 2 279.344 -1.021 20 0 CAADLO C[N@@H+](CCNC(=O)[C@H]1CCn2cncc2C1)CC(N)=O ZINC001366545898 887314849 /nfs/dbraw/zinc/31/48/49/887314849.db2.gz XQHLBIGKWXXICW-JTQLQIEISA-N 1 2 279.344 -1.021 20 0 CAADLO C[N@H+](CCNC(=O)CCc1cn[nH]n1)[C@H]1CCNC1=O ZINC001366568627 887315748 /nfs/dbraw/zinc/31/57/48/887315748.db2.gz UMZCSNHMZBDBJO-JTQLQIEISA-N 1 2 280.332 -1.326 20 0 CAADLO C[N@@H+](CCNC(=O)CCc1cn[nH]n1)[C@H]1CCNC1=O ZINC001366568627 887315771 /nfs/dbraw/zinc/31/57/71/887315771.db2.gz UMZCSNHMZBDBJO-JTQLQIEISA-N 1 2 280.332 -1.326 20 0 CAADLO C[N@H+](CCNC(=O)CCc1c[nH]nn1)[C@H]1CCNC1=O ZINC001366568627 887315789 /nfs/dbraw/zinc/31/57/89/887315789.db2.gz UMZCSNHMZBDBJO-JTQLQIEISA-N 1 2 280.332 -1.326 20 0 CAADLO C[N@@H+](CCNC(=O)CCc1c[nH]nn1)[C@H]1CCNC1=O ZINC001366568627 887315807 /nfs/dbraw/zinc/31/58/07/887315807.db2.gz UMZCSNHMZBDBJO-JTQLQIEISA-N 1 2 280.332 -1.326 20 0 CAADLO CNC(=O)C[N@H+](C)CCNC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001366549657 887316069 /nfs/dbraw/zinc/31/60/69/887316069.db2.gz ZMUPOAZMLKLERX-GMXVVIOVSA-N 1 2 299.371 -1.168 20 0 CAADLO CNC(=O)C[N@@H+](C)CCNC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001366549657 887316077 /nfs/dbraw/zinc/31/60/77/887316077.db2.gz ZMUPOAZMLKLERX-GMXVVIOVSA-N 1 2 299.371 -1.168 20 0 CAADLO C[N@@H+](CCNC(=O)c1nc[nH]n1)CCNC(=O)C1CC1 ZINC001366574517 887316139 /nfs/dbraw/zinc/31/61/39/887316139.db2.gz KWFCKEKUDZIXHW-UHFFFAOYSA-N 1 2 280.332 -1.008 20 0 CAADLO C[N@H+](CCNC(=O)c1nc[nH]n1)CCNC(=O)C1CC1 ZINC001366574517 887316151 /nfs/dbraw/zinc/31/61/51/887316151.db2.gz KWFCKEKUDZIXHW-UHFFFAOYSA-N 1 2 280.332 -1.008 20 0 CAADLO CNC(=O)C[N@H+](C)CCNC(=O)[C@H](OC)[C@H]1CCOC1 ZINC001366553607 887316937 /nfs/dbraw/zinc/31/69/37/887316937.db2.gz KBMAOZFAWRZBMT-CMPLNLGQSA-N 1 2 287.360 -1.168 20 0 CAADLO CNC(=O)C[N@@H+](C)CCNC(=O)[C@H](OC)[C@H]1CCOC1 ZINC001366553607 887316952 /nfs/dbraw/zinc/31/69/52/887316952.db2.gz KBMAOZFAWRZBMT-CMPLNLGQSA-N 1 2 287.360 -1.168 20 0 CAADLO CNC(=O)C[N@H+](C)CCNC(=O)[C@@H](OC)[C@@H]1CCOC1 ZINC001366553610 887318120 /nfs/dbraw/zinc/31/81/20/887318120.db2.gz KBMAOZFAWRZBMT-PWSUYJOCSA-N 1 2 287.360 -1.168 20 0 CAADLO CNC(=O)C[N@@H+](C)CCNC(=O)[C@@H](OC)[C@@H]1CCOC1 ZINC001366553610 887318133 /nfs/dbraw/zinc/31/81/33/887318133.db2.gz KBMAOZFAWRZBMT-PWSUYJOCSA-N 1 2 287.360 -1.168 20 0 CAADLO C[N@H+](CCNC(=O)[C@@H]1CNC(=O)N1)CC(=O)NC(C)(C)C ZINC001366563117 887318382 /nfs/dbraw/zinc/31/83/82/887318382.db2.gz GFMNJRTWGLQIQW-VIFPVBQESA-N 1 2 299.375 -1.370 20 0 CAADLO C[N@@H+](CCNC(=O)[C@@H]1CNC(=O)N1)CC(=O)NC(C)(C)C ZINC001366563117 887318399 /nfs/dbraw/zinc/31/83/99/887318399.db2.gz GFMNJRTWGLQIQW-VIFPVBQESA-N 1 2 299.375 -1.370 20 0 CAADLO Cc1nnc2n1C[C@@H](C(=O)NCC[N@@H+](C)CC(N)=O)CC2 ZINC001366593992 887320680 /nfs/dbraw/zinc/32/06/80/887320680.db2.gz YJHKWOUBXISKAQ-JTQLQIEISA-N 1 2 294.359 -1.318 20 0 CAADLO Cc1nnc2n1C[C@@H](C(=O)NCC[N@H+](C)CC(N)=O)CC2 ZINC001366593992 887320690 /nfs/dbraw/zinc/32/06/90/887320690.db2.gz YJHKWOUBXISKAQ-JTQLQIEISA-N 1 2 294.359 -1.318 20 0 CAADLO CNC(=O)C[N@H+](C)CCNC(=O)Cn1ccccc1=O ZINC001366593797 887321713 /nfs/dbraw/zinc/32/17/13/887321713.db2.gz YBONYSOZMMAUSV-UHFFFAOYSA-N 1 2 280.328 -1.358 20 0 CAADLO CNC(=O)C[N@@H+](C)CCNC(=O)Cn1ccccc1=O ZINC001366593797 887321729 /nfs/dbraw/zinc/32/17/29/887321729.db2.gz YBONYSOZMMAUSV-UHFFFAOYSA-N 1 2 280.328 -1.358 20 0 CAADLO Cc1nnc2n1C[C@H](C(=O)NCC[N@@H+](C)CC(N)=O)CC2 ZINC001366594040 887321608 /nfs/dbraw/zinc/32/16/08/887321608.db2.gz YJHKWOUBXISKAQ-SNVBAGLBSA-N 1 2 294.359 -1.318 20 0 CAADLO Cc1nnc2n1C[C@H](C(=O)NCC[N@H+](C)CC(N)=O)CC2 ZINC001366594040 887321627 /nfs/dbraw/zinc/32/16/27/887321627.db2.gz YJHKWOUBXISKAQ-SNVBAGLBSA-N 1 2 294.359 -1.318 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)Cc2nnc[nH]2)C1 ZINC001366706981 887325861 /nfs/dbraw/zinc/32/58/61/887325861.db2.gz JNNHIYSDMKWEKE-VIFPVBQESA-N 1 2 280.332 -1.469 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](CNC(=O)Cc2nnc[nH]2)C1 ZINC001366706981 887325874 /nfs/dbraw/zinc/32/58/74/887325874.db2.gz JNNHIYSDMKWEKE-VIFPVBQESA-N 1 2 280.332 -1.469 20 0 CAADLO C[C@H](NC(N)=O)C(=O)N[C@H]1CCC[N@H+](CC(N)=O)C1 ZINC001366904861 887338554 /nfs/dbraw/zinc/33/85/54/887338554.db2.gz MNOLCNMAIUJYEV-YUMQZZPRSA-N 1 2 271.321 -1.891 20 0 CAADLO C[C@H](NC(N)=O)C(=O)N[C@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001366904861 887338564 /nfs/dbraw/zinc/33/85/64/887338564.db2.gz MNOLCNMAIUJYEV-YUMQZZPRSA-N 1 2 271.321 -1.891 20 0 CAADLO CN(CC[NH2+][C@@H]1CCN(C)C1=O)C(=O)Cc1ncn[nH]1 ZINC001366781185 887338948 /nfs/dbraw/zinc/33/89/48/887338948.db2.gz XHQZTMRTMYWVLA-SECBINFHSA-N 1 2 280.332 -1.374 20 0 CAADLO CCCN(C(=O)Cn1cnnn1)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001366801783 887340102 /nfs/dbraw/zinc/34/01/02/887340102.db2.gz OHCPJVLZXQQOTN-JTQLQIEISA-N 1 2 295.347 -1.529 20 0 CAADLO CCCN(C(=O)Cn1cnnn1)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001366801783 887340113 /nfs/dbraw/zinc/34/01/13/887340113.db2.gz OHCPJVLZXQQOTN-JTQLQIEISA-N 1 2 295.347 -1.529 20 0 CAADLO CCCN(C(=O)[C@H](C)NC(N)=O)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001366822807 887340318 /nfs/dbraw/zinc/34/03/18/887340318.db2.gz RBUNBGIHTWWHAH-UWVGGRQHSA-N 1 2 299.375 -1.159 20 0 CAADLO CCCN(C(=O)[C@H](C)NC(N)=O)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001366822807 887340331 /nfs/dbraw/zinc/34/03/31/887340331.db2.gz RBUNBGIHTWWHAH-UWVGGRQHSA-N 1 2 299.375 -1.159 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(NC(=O)Cn2cnnn2)C1 ZINC001366908556 887340859 /nfs/dbraw/zinc/34/08/59/887340859.db2.gz CMBVVBWTAWZVOM-VIFPVBQESA-N 1 2 270.293 -2.519 20 0 CAADLO CC(=O)N(C)CC[NH+]1CCN(CC(=O)NC(N)=O)CC1 ZINC001366856537 887341442 /nfs/dbraw/zinc/34/14/42/887341442.db2.gz UYOXZRCVTZDKMI-UHFFFAOYSA-N 1 2 285.348 -1.723 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(NC(=O)[C@H]2COCCO2)C1 ZINC001366911464 887341718 /nfs/dbraw/zinc/34/17/18/887341718.db2.gz MXSXLEMFDQPWRI-WDEREUQCSA-N 1 2 274.317 -1.791 20 0 CAADLO CNC(=O)C[N@@H+]1CCC[C@H](NC(=O)CN(C)C(C)=O)C1 ZINC001366899785 887342506 /nfs/dbraw/zinc/34/25/06/887342506.db2.gz CALBORGOSIQVDU-NSHDSACASA-N 1 2 284.360 -1.209 20 0 CAADLO CNC(=O)C[N@H+]1CCC[C@H](NC(=O)CN(C)C(C)=O)C1 ZINC001366899785 887342522 /nfs/dbraw/zinc/34/25/22/887342522.db2.gz CALBORGOSIQVDU-NSHDSACASA-N 1 2 284.360 -1.209 20 0 CAADLO CCS(=O)(=O)N[C@H](C)C(=O)NC1C[NH+](C[C@@H](C)O)C1 ZINC001366921692 887344086 /nfs/dbraw/zinc/34/40/86/887344086.db2.gz NPIIGYPSGNABHR-RKDXNWHRSA-N 1 2 293.389 -1.505 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(NC(=O)[C@H]2CCCC(=O)N2)C1 ZINC001366925990 887344690 /nfs/dbraw/zinc/34/46/90/887344690.db2.gz CPBJEPAMGSWDRT-WDEREUQCSA-N 1 2 285.344 -1.537 20 0 CAADLO COC[C@H](O)C[NH+]1CC(NC(=O)[C@H]2CCCC(=O)N2)C1 ZINC001366925989 887344848 /nfs/dbraw/zinc/34/48/48/887344848.db2.gz CPBJEPAMGSWDRT-GHMZBOCLSA-N 1 2 285.344 -1.537 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(NC(=O)Cn2ncnn2)C1 ZINC001366925079 887345500 /nfs/dbraw/zinc/34/55/00/887345500.db2.gz XPYMFZHXIGAPST-VIFPVBQESA-N 1 2 270.293 -2.519 20 0 CAADLO C[C@H](NC(N)=O)C(=O)NC1C[NH+](CCc2ccnn2C)C1 ZINC001366915986 887345715 /nfs/dbraw/zinc/34/57/15/887345715.db2.gz KFWGXVXJZHFANH-VIFPVBQESA-N 1 2 294.359 -1.180 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(NC(=O)[C@H]2CCNC(=O)CC2)C1 ZINC001366930195 887346766 /nfs/dbraw/zinc/34/67/66/887346766.db2.gz LLTFQTFHSQKZHX-PWSUYJOCSA-N 1 2 299.371 -1.290 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(NC(=O)C[C@@H]2CCCC(=O)N2)C1 ZINC001366932712 887347563 /nfs/dbraw/zinc/34/75/63/887347563.db2.gz UTWTUJZXBAYVST-JQWIXIFHSA-N 1 2 299.371 -1.147 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(NC(=O)c2cnc(OC)nc2)C1 ZINC001366948827 887348467 /nfs/dbraw/zinc/34/84/67/887348467.db2.gz DWOMILPRXGUPDT-NSHDSACASA-N 1 2 296.327 -1.094 20 0 CAADLO COC[C@H](O)C[NH+]1CC(NC(=O)CCN2CCCC2=O)C1 ZINC001366946485 887348527 /nfs/dbraw/zinc/34/85/27/887348527.db2.gz AIWCOYCSSKBYNA-GFCCVEGCSA-N 1 2 299.371 -1.193 20 0 CAADLO COC[C@H](O)C[NH+]1CC(NC(=O)[C@@H](COC)OC)C1 ZINC001366939791 887348807 /nfs/dbraw/zinc/34/88/07/887348807.db2.gz IRCKNLYRJASOHV-GHMZBOCLSA-N 1 2 276.333 -1.545 20 0 CAADLO CNS(=O)(=O)NCC(=O)NC1C[NH+]([C@H](C)COC)C1 ZINC001366931425 887348932 /nfs/dbraw/zinc/34/89/32/887348932.db2.gz SGKSAJGKWHGQCG-MRVPVSSYSA-N 1 2 294.377 -2.125 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(NC(=O)[C@H](COC)OC)C1 ZINC001366939908 887349116 /nfs/dbraw/zinc/34/91/16/887349116.db2.gz IRCKNLYRJASOHV-QWRGUYRKSA-N 1 2 276.333 -1.545 20 0 CAADLO CNS(=O)(=O)NCC(=O)NC1C[NH+]([C@@H](C)COC)C1 ZINC001366931430 887349180 /nfs/dbraw/zinc/34/91/80/887349180.db2.gz SGKSAJGKWHGQCG-QMMMGPOBSA-N 1 2 294.377 -2.125 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(NC(=O)c2cnn(C)c2OC)C1 ZINC001366956554 887350110 /nfs/dbraw/zinc/35/01/10/887350110.db2.gz SUQPOCZPRNJJDX-JTQLQIEISA-N 1 2 298.343 -1.150 20 0 CAADLO O=C(C[C@@H]1CCNC1=O)NCC1C[NH+]([C@H]2CCNC2=O)C1 ZINC001366971197 887350392 /nfs/dbraw/zinc/35/03/92/887350392.db2.gz DZEUJBVQOCWOIW-QWRGUYRKSA-N 1 2 294.355 -1.551 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(NC(=O)c2ccc(=O)n(C)n2)C1 ZINC001366954121 887350550 /nfs/dbraw/zinc/35/05/50/887350550.db2.gz ZLUXHURNPRUWQR-JTQLQIEISA-N 1 2 296.327 -1.798 20 0 CAADLO C[C@H](NC(N)=O)C(=O)NCC1C[NH+]([C@@H](C)C(N)=O)C1 ZINC001366961771 887350974 /nfs/dbraw/zinc/35/09/74/887350974.db2.gz ODLVZQZUDLITGN-BQBZGAKWSA-N 1 2 271.321 -2.035 20 0 CAADLO C[C@H](C(=O)NCC1C[NH+]([C@@H](C)C(N)=O)C1)n1cncn1 ZINC001366961486 887351068 /nfs/dbraw/zinc/35/10/68/887351068.db2.gz IMYQBWWIXFMIHK-DTWKUNHWSA-N 1 2 280.332 -1.239 20 0 CAADLO O=C(C[C@H]1CCNC1=O)NCC1C[NH+]([C@H]2CCNC2=O)C1 ZINC001366971196 887351230 /nfs/dbraw/zinc/35/12/30/887351230.db2.gz DZEUJBVQOCWOIW-MNOVXSKESA-N 1 2 294.355 -1.551 20 0 CAADLO Cc1noc(CCC(=O)NCC2C[NH+](CC(N)=O)C2)n1 ZINC001366969881 887351699 /nfs/dbraw/zinc/35/16/99/887351699.db2.gz BZJNNOXJFWAMSI-UHFFFAOYSA-N 1 2 281.316 -1.156 20 0 CAADLO CNC(=O)NC(=O)C[NH+]1CC(CNC(=O)[C@H](C)OC)C1 ZINC001366958694 887351785 /nfs/dbraw/zinc/35/17/85/887351785.db2.gz WUNUXNDHUZVWGL-QMMMGPOBSA-N 1 2 286.332 -1.475 20 0 CAADLO CN(C)C(=O)C[NH+]1CC(CNC(=O)CN2CCOCC2)C1 ZINC001366960491 887352228 /nfs/dbraw/zinc/35/22/28/887352228.db2.gz FPSHEMNRPHBLRE-UHFFFAOYSA-N 1 2 298.387 -1.545 20 0 CAADLO CNC(=O)NCC(=O)NCC1C[NH+](Cc2cncn2C)C1 ZINC001366967007 887352244 /nfs/dbraw/zinc/35/22/44/887352244.db2.gz LKACZUQLRKIVCL-UHFFFAOYSA-N 1 2 294.359 -1.103 20 0 CAADLO CO[C@@H](C)CC(=O)NCC1C[NH+](CC(=O)NC(N)=O)C1 ZINC001366962694 887352397 /nfs/dbraw/zinc/35/23/97/887352397.db2.gz KRRAWEOFZYCEFK-QMMMGPOBSA-N 1 2 286.332 -1.346 20 0 CAADLO O=C(Cn1cccn1)NCC1C[NH+]([C@@H]2CCNC2=O)C1 ZINC001366954385 887352708 /nfs/dbraw/zinc/35/27/08/887352708.db2.gz GZHVHWOMJDSXFJ-LLVKDONJSA-N 1 2 277.328 -1.180 20 0 CAADLO CC(=O)NCC(=O)NCC1C[NH+](CC(=O)NCC2CC2)C1 ZINC001366954426 887352746 /nfs/dbraw/zinc/35/27/46/887352746.db2.gz NWQJSTZPKVZYLN-UHFFFAOYSA-N 1 2 296.371 -1.303 20 0 CAADLO C[C@H](C(N)=O)[NH+]1CC(CNC(=O)CN2CCOCC2=O)C1 ZINC001366968559 887353098 /nfs/dbraw/zinc/35/30/98/887353098.db2.gz FBYQHZCUTOKFPT-SECBINFHSA-N 1 2 298.343 -2.233 20 0 CAADLO C[C@@H](C(=O)NCC1C[NH+]([C@@H](C)C(N)=O)C1)n1cncn1 ZINC001366961490 887353730 /nfs/dbraw/zinc/35/37/30/887353730.db2.gz IMYQBWWIXFMIHK-IUCAKERBSA-N 1 2 280.332 -1.239 20 0 CAADLO CNS(=O)(=O)CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCO ZINC001367001893 887355360 /nfs/dbraw/zinc/35/53/60/887355360.db2.gz QJTVQLZMNLUZGT-IUCAKERBSA-N 1 2 277.346 -2.187 20 0 CAADLO CNS(=O)(=O)CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCO ZINC001367001893 887355372 /nfs/dbraw/zinc/35/53/72/887355372.db2.gz QJTVQLZMNLUZGT-IUCAKERBSA-N 1 2 277.346 -2.187 20 0 CAADLO CC(=O)N[C@H]1CC[N@@H+](CC(=O)N[C@@H](C)C(=O)N(C)C)C1 ZINC001367001778 887355428 /nfs/dbraw/zinc/35/54/28/887355428.db2.gz CTDUAMAEHUAOHX-ONGXEEELSA-N 1 2 284.360 -1.210 20 0 CAADLO CC(=O)N[C@H]1CC[N@H+](CC(=O)N[C@@H](C)C(=O)N(C)C)C1 ZINC001367001778 887355442 /nfs/dbraw/zinc/35/54/42/887355442.db2.gz CTDUAMAEHUAOHX-ONGXEEELSA-N 1 2 284.360 -1.210 20 0 CAADLO CC(C)NC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2COC(=O)N2)C1 ZINC001367003620 887355582 /nfs/dbraw/zinc/35/55/82/887355582.db2.gz BJLRGKWROVSBMZ-UWVGGRQHSA-N 1 2 298.343 -1.190 20 0 CAADLO CC(C)NC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H]2COC(=O)N2)C1 ZINC001367003620 887355594 /nfs/dbraw/zinc/35/55/94/887355594.db2.gz BJLRGKWROVSBMZ-UWVGGRQHSA-N 1 2 298.343 -1.190 20 0 CAADLO CCNC(=O)C[NH+]1CC(CNC(=O)CCn2cnnn2)C1 ZINC001366986559 887355820 /nfs/dbraw/zinc/35/58/20/887355820.db2.gz ZMWDCQIGLHQHFM-UHFFFAOYSA-N 1 2 295.347 -1.753 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CN(C)C(C)=O ZINC001367003588 887355986 /nfs/dbraw/zinc/35/59/86/887355986.db2.gz QZAGBXWFZCQGHX-USWWRNFRSA-N 1 2 296.371 -1.116 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CN(C)C(C)=O ZINC001367003588 887355994 /nfs/dbraw/zinc/35/59/94/887355994.db2.gz QZAGBXWFZCQGHX-USWWRNFRSA-N 1 2 296.371 -1.116 20 0 CAADLO C[C@@H](CC(N)=O)C(=O)NCC1C[NH+](CC(=O)NC2CC2)C1 ZINC001366976652 887356173 /nfs/dbraw/zinc/35/61/73/887356173.db2.gz UJZKNDDXUVSYJA-VIFPVBQESA-N 1 2 296.371 -1.176 20 0 CAADLO NC(=O)NC(=O)C[NH+]1CC(CNC(=O)Cc2cnoc2)C1 ZINC001366971606 887356378 /nfs/dbraw/zinc/35/63/78/887356378.db2.gz KQWFBJNCSPUZKE-UHFFFAOYSA-N 1 2 295.299 -1.540 20 0 CAADLO CCO[C@@H](C(=O)NCC1C[NH+](CC(N)=O)C1)[C@H]1CCOC1 ZINC001366973100 887356722 /nfs/dbraw/zinc/35/67/22/887356722.db2.gz PMSAYQYLZCJILP-WCQYABFASA-N 1 2 299.371 -1.039 20 0 CAADLO CC(C)(C)[C@@H](NC(N)=O)C(=O)NCC1C[NH+](CC(N)=O)C1 ZINC001366980646 887356807 /nfs/dbraw/zinc/35/68/07/887356807.db2.gz BUUJJAPXDHNJNC-JTQLQIEISA-N 1 2 299.375 -1.397 20 0 CAADLO C[C@@H](C(=O)NCC1C[NH+](CC(N)=O)C1)[C@H]1CCC(=O)N1 ZINC001366976851 887357140 /nfs/dbraw/zinc/35/71/40/887357140.db2.gz PHFHQFMTGBEAMQ-PSASIEDQSA-N 1 2 282.344 -1.566 20 0 CAADLO NC(=O)C[NH+]1CC(CNC(=O)CN2CCCCCC2=O)C1 ZINC001366988750 887358101 /nfs/dbraw/zinc/35/81/01/887358101.db2.gz KBAJRVSEMSPFIU-UHFFFAOYSA-N 1 2 296.371 -1.078 20 0 CAADLO C[C@H](NS(C)(=O)=O)C(=O)NCC1C[NH+](CC(N)=O)C1 ZINC001366973445 887358309 /nfs/dbraw/zinc/35/83/09/887358309.db2.gz BJXZGTBBFKUSOB-ZETCQYMHSA-N 1 2 292.361 -2.543 20 0 CAADLO Cn1ccnc1COCC(=O)NCC1C[NH+](CC(N)=O)C1 ZINC001366976983 887358360 /nfs/dbraw/zinc/35/83/60/887358360.db2.gz XCFBTURTJRISIU-UHFFFAOYSA-N 1 2 295.343 -1.530 20 0 CAADLO Cn1cnnc1COCC(=O)NCC1C[NH+](CC(N)=O)C1 ZINC001366983964 887358409 /nfs/dbraw/zinc/35/84/09/887358409.db2.gz VIEWSMKGOPEWEJ-UHFFFAOYSA-N 1 2 296.331 -2.135 20 0 CAADLO CC(=O)NCC(=O)N[C@H]1CC[N@H+](CC(=O)NCC2CC2)C1 ZINC001367002932 887358558 /nfs/dbraw/zinc/35/85/58/887358558.db2.gz NIQMOWUAWTZFDS-LBPRGKRZSA-N 1 2 296.371 -1.161 20 0 CAADLO CC(=O)NCC(=O)N[C@H]1CC[N@@H+](CC(=O)NCC2CC2)C1 ZINC001367002932 887358566 /nfs/dbraw/zinc/35/85/66/887358566.db2.gz NIQMOWUAWTZFDS-LBPRGKRZSA-N 1 2 296.371 -1.161 20 0 CAADLO O=C(CCc1nnc[nH]1)N[C@@H]1CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001367029283 887359858 /nfs/dbraw/zinc/35/98/58/887359858.db2.gz YOKGLOFHECXNRN-ZJUUUORDSA-N 1 2 292.343 -1.184 20 0 CAADLO O=C(CCc1nnc[nH]1)N[C@@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001367029283 887359864 /nfs/dbraw/zinc/35/98/64/887359864.db2.gz YOKGLOFHECXNRN-ZJUUUORDSA-N 1 2 292.343 -1.184 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)CCCS(N)(=O)=O)C1 ZINC001367032505 887359990 /nfs/dbraw/zinc/35/99/90/887359990.db2.gz LBFUAOZTQQXRPH-MRVPVSSYSA-N 1 2 292.361 -2.269 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)CCCS(N)(=O)=O)C1 ZINC001367032505 887359996 /nfs/dbraw/zinc/35/99/96/887359996.db2.gz LBFUAOZTQQXRPH-MRVPVSSYSA-N 1 2 292.361 -2.269 20 0 CAADLO CC(C)NC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001367033721 887360182 /nfs/dbraw/zinc/36/01/82/887360182.db2.gz RSQNMMPLHUVSKW-MXWKQRLJSA-N 1 2 296.371 -1.177 20 0 CAADLO CC(C)NC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001367033721 887360190 /nfs/dbraw/zinc/36/01/90/887360190.db2.gz RSQNMMPLHUVSKW-MXWKQRLJSA-N 1 2 296.371 -1.177 20 0 CAADLO CO[C@H](C(=O)N[C@@H]1CC[N@H+](CC(N)=O)C1)c1cnn(C)c1 ZINC001367030404 887360275 /nfs/dbraw/zinc/36/02/75/887360275.db2.gz DOVGFRUPLBEDFO-PWSUYJOCSA-N 1 2 295.343 -1.217 20 0 CAADLO CO[C@H](C(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C1)c1cnn(C)c1 ZINC001367030404 887360284 /nfs/dbraw/zinc/36/02/84/887360284.db2.gz DOVGFRUPLBEDFO-PWSUYJOCSA-N 1 2 295.343 -1.217 20 0 CAADLO NC(=O)NC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCCO2)C1 ZINC001367028319 887360928 /nfs/dbraw/zinc/36/09/28/887360928.db2.gz NSVQMXAAWQEESL-ZJUUUORDSA-N 1 2 298.343 -1.059 20 0 CAADLO NC(=O)NC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCCO2)C1 ZINC001367028319 887360946 /nfs/dbraw/zinc/36/09/46/887360946.db2.gz NSVQMXAAWQEESL-ZJUUUORDSA-N 1 2 298.343 -1.059 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)CCc2nnc[nH]2)C1 ZINC001367008529 887361846 /nfs/dbraw/zinc/36/18/46/887361846.db2.gz JADMCVBMTAZTHC-BDAKNGLRSA-N 1 2 280.332 -1.198 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)CCc2nnc[nH]2)C1 ZINC001367008529 887361854 /nfs/dbraw/zinc/36/18/54/887361854.db2.gz JADMCVBMTAZTHC-BDAKNGLRSA-N 1 2 280.332 -1.198 20 0 CAADLO CC[C@H](CNC(=O)c1nnc[nH]1)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001367125383 887364909 /nfs/dbraw/zinc/36/49/09/887364909.db2.gz QMMAQCFLAGMQIZ-SSDOTTSWSA-N 1 2 294.319 -1.475 20 0 CAADLO CC[C@H](CNC(=O)c1ncn[nH]1)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001367125383 887364915 /nfs/dbraw/zinc/36/49/15/887364915.db2.gz QMMAQCFLAGMQIZ-SSDOTTSWSA-N 1 2 294.319 -1.475 20 0 CAADLO CN(C(=O)c1cn[nH]n1)[C@@H]1CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001367054352 887367401 /nfs/dbraw/zinc/36/74/01/887367401.db2.gz WJWJQGXIEWMIOS-SSDOTTSWSA-N 1 2 295.303 -1.854 20 0 CAADLO CN(C(=O)c1cn[nH]n1)[C@@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001367054352 887367411 /nfs/dbraw/zinc/36/74/11/887367411.db2.gz WJWJQGXIEWMIOS-SSDOTTSWSA-N 1 2 295.303 -1.854 20 0 CAADLO CC[C@H](CNC(=O)CCn1cnnn1)[NH2+]C[C@H](C)O ZINC001367142061 887369324 /nfs/dbraw/zinc/36/93/24/887369324.db2.gz NYXSQZRSRUYKHF-VHSXEESVSA-N 1 2 270.337 -1.072 20 0 CAADLO CC[C@@H](CNC(=O)CCn1cnnn1)[NH2+]C[C@@H](C)O ZINC001367142062 887369039 /nfs/dbraw/zinc/36/90/39/887369039.db2.gz NYXSQZRSRUYKHF-ZJUUUORDSA-N 1 2 270.337 -1.072 20 0 CAADLO CC[C@H](CNC(=O)CCc1cn(C)nn1)[NH2+]CC(=O)NC ZINC001367152809 887369118 /nfs/dbraw/zinc/36/91/18/887369118.db2.gz NAABFURWRLAEAO-SNVBAGLBSA-N 1 2 296.375 -1.022 20 0 CAADLO CCC(=O)NC[C@H](C)C[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001367231622 887369367 /nfs/dbraw/zinc/36/93/67/887369367.db2.gz WIBBDEUAOHVJLB-SNVBAGLBSA-N 1 2 284.360 -1.303 20 0 CAADLO CC[C@H](CNC(=O)CCNC(N)=O)[NH2+]Cc1ncnn1C ZINC001367137765 887369386 /nfs/dbraw/zinc/36/93/86/887369386.db2.gz LYPNTHCPXJOLIE-SECBINFHSA-N 1 2 297.363 -1.142 20 0 CAADLO CC[C@H](CNC(=O)Cn1cncn1)[NH2+][C@@H](C)C(=O)NC ZINC001367142567 887369397 /nfs/dbraw/zinc/36/93/97/887369397.db2.gz VSXOIWLWSHBWJL-VHSXEESVSA-N 1 2 282.348 -1.103 20 0 CAADLO C[C@H](O)C[NH2+]C[C@](C)(NC(=O)Cn1ncnn1)C1CC1 ZINC001367182621 887369403 /nfs/dbraw/zinc/36/94/03/887369403.db2.gz KZLBQODFAWYSEJ-CABZTGNLSA-N 1 2 282.348 -1.072 20 0 CAADLO CC(=O)NCC(=O)NC[C@H](C)C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001367230716 887369519 /nfs/dbraw/zinc/36/95/19/887369519.db2.gz OTVRGVCMXRKHGK-MRVPVSSYSA-N 1 2 298.347 -1.914 20 0 CAADLO CCNC(=O)C[NH2+]C[C@H](C)CNC(=O)Cn1ncnn1 ZINC001367237062 887369547 /nfs/dbraw/zinc/36/95/47/887369547.db2.gz DRCQBWBDYJJQMQ-VIFPVBQESA-N 1 2 283.336 -1.849 20 0 CAADLO CC[C@@H](CNC(=O)[C@]1(C)CCC(=O)NC1)[NH2+]CC(N)=O ZINC001367154631 887369567 /nfs/dbraw/zinc/36/95/67/887369567.db2.gz CPYQAVSJBCXIMH-TVQRCGJNSA-N 1 2 284.360 -1.128 20 0 CAADLO CC[C@H](CNC(=O)CCNC(N)=O)[NH2+][C@@H]1CCN(C)C1=O ZINC001367136879 887369588 /nfs/dbraw/zinc/36/95/88/887369588.db2.gz KZTAIUPIKVMTNR-NXEZZACHSA-N 1 2 299.375 -1.240 20 0 CAADLO CC[C@H](CNC(=O)CCNC(N)=O)[NH2+]Cc1cnnn1C ZINC001367140271 887369621 /nfs/dbraw/zinc/36/96/21/887369621.db2.gz PSYQJXJLYACHEG-SECBINFHSA-N 1 2 297.363 -1.142 20 0 CAADLO CC[C@@H]([NH2+]C[C@H]1CCCN1C(=O)Cn1cnnn1)C(N)=O ZINC001367215460 887369720 /nfs/dbraw/zinc/36/97/20/887369720.db2.gz IUPKWILEXDWCQY-NXEZZACHSA-N 1 2 295.347 -1.482 20 0 CAADLO CC[C@@H](CNC(=O)[C@@H]1CCCCN1C(N)=O)[NH2+]CC(N)=O ZINC001367131532 887369778 /nfs/dbraw/zinc/36/97/78/887369778.db2.gz BDIUKWVBURJASI-UWVGGRQHSA-N 1 2 299.375 -1.111 20 0 CAADLO CN(C)C(=O)C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CNC(=O)N1 ZINC001367219649 887369887 /nfs/dbraw/zinc/36/98/87/887369887.db2.gz FXGOPKBLSACYQW-NXEZZACHSA-N 1 2 297.359 -1.663 20 0 CAADLO CNC(=O)C[NH2+]C[C@@H](C)CNC(=O)[C@@H]1COCCO1 ZINC001367236801 887369985 /nfs/dbraw/zinc/36/99/85/887369985.db2.gz HKNXJUCAIPXWMK-ZJUUUORDSA-N 1 2 273.333 -1.510 20 0 CAADLO CNC(=O)C[NH2+][C@H]1CC[C@H](NC(=O)CNC(C)=O)CC1 ZINC001367174452 887370086 /nfs/dbraw/zinc/37/00/86/887370086.db2.gz GJJVYYOCWATNPK-XYPYZODXSA-N 1 2 284.360 -1.115 20 0 CAADLO C[C@H]([NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCC(=O)N1)C(N)=O ZINC001367216982 887370806 /nfs/dbraw/zinc/37/08/06/887370806.db2.gz NFBGTPRLIUWWNG-IVZWLZJFSA-N 1 2 282.344 -1.281 20 0 CAADLO CC[C@@H](CNC(=O)Cn1cncn1)[NH2+][C@@H]1CCNC1=O ZINC001367140318 887370192 /nfs/dbraw/zinc/37/01/92/887370192.db2.gz QLOUWFZHVXJURR-VHSXEESVSA-N 1 2 280.332 -1.349 20 0 CAADLO C[C@@H](O)C[NH2+]C[C@@](C)(NC(=O)Cn1ncnn1)C1CC1 ZINC001367182614 887370222 /nfs/dbraw/zinc/37/02/22/887370222.db2.gz KZLBQODFAWYSEJ-BXKDBHETSA-N 1 2 282.348 -1.072 20 0 CAADLO C[C@@H](CNC(=O)c1cc2n(n1)CCO2)C[NH2+]CC(N)=O ZINC001367237514 887370237 /nfs/dbraw/zinc/37/02/37/887370237.db2.gz AYNWTMPRCHCQCY-MRVPVSSYSA-N 1 2 281.316 -1.284 20 0 CAADLO NC(=O)C[NH2+]C[C@H]1CCCN1C(=O)c1ccc(C(N)=O)[nH]1 ZINC001367220923 887370363 /nfs/dbraw/zinc/37/03/63/887370363.db2.gz OSYAFBZBMLSNFR-MRVPVSSYSA-N 1 2 293.327 -1.207 20 0 CAADLO NC(=O)CCCC(=O)N1CCC[C@@H]1C[NH2+]CC(N)=O ZINC001367229438 887370457 /nfs/dbraw/zinc/37/04/57/887370457.db2.gz XUGWAKPELVBKKJ-SECBINFHSA-N 1 2 270.333 -1.292 20 0 CAADLO CC[C@H](CNC(=O)[C@H]1CCCCN1C(N)=O)[NH2+]CC(N)=O ZINC001367131529 887370535 /nfs/dbraw/zinc/37/05/35/887370535.db2.gz BDIUKWVBURJASI-NXEZZACHSA-N 1 2 299.375 -1.111 20 0 CAADLO C[C@](C[NH2+]CC(N)=O)(NC(=O)[C@H]1CNC(=O)N1)C1CC1 ZINC001367191416 887370598 /nfs/dbraw/zinc/37/05/98/887370598.db2.gz OHLYRNZKPVDZHK-PRHODGIISA-N 1 2 283.332 -1.972 20 0 CAADLO COC[C@H](O)C[NH2+]C[C@H]1CCCN1C(=O)Cn1ncnn1 ZINC001367216712 887370721 /nfs/dbraw/zinc/37/07/21/887370721.db2.gz WVGDUXSGFRERJX-GHMZBOCLSA-N 1 2 298.347 -1.739 20 0 CAADLO CC(=O)N1CC(C(=O)N2CCC[C@@H]2C[NH2+][C@@H](C)C(N)=O)C1 ZINC001367224001 887370930 /nfs/dbraw/zinc/37/09/30/887370930.db2.gz UXPNFSHGWBLIPR-JOYOIKCWSA-N 1 2 296.371 -1.081 20 0 CAADLO NC(=O)C[NH2+]C[C@H]1CCCN1C(=O)c1cc(C(N)=O)c[nH]1 ZINC001367229390 887370944 /nfs/dbraw/zinc/37/09/44/887370944.db2.gz ZOEDMWRIKDCMEV-SECBINFHSA-N 1 2 293.327 -1.207 20 0 CAADLO CC(=O)NCC(=O)N1CCC[C@@H]1C[NH2+]CC(=O)N(C)C ZINC001367216271 887371022 /nfs/dbraw/zinc/37/10/22/887371022.db2.gz KJLOJRDKATUQJZ-LLVKDONJSA-N 1 2 284.360 -1.209 20 0 CAADLO O=C(NC[C@@H]1C[N@H+](CCO)CCO1)[C@]1(F)CCOC1 ZINC001367300562 887375490 /nfs/dbraw/zinc/37/54/90/887375490.db2.gz FAGYGQIKWQYSLD-PWSUYJOCSA-N 1 2 276.308 -1.076 20 0 CAADLO O=C(NC[C@@H]1C[N@@H+](CCO)CCO1)[C@]1(F)CCOC1 ZINC001367300562 887375504 /nfs/dbraw/zinc/37/55/04/887375504.db2.gz FAGYGQIKWQYSLD-PWSUYJOCSA-N 1 2 276.308 -1.076 20 0 CAADLO NC(=O)NCCC(=O)NC[C@@H]1C[N@H+](CCO)CCO1 ZINC001367312221 887375662 /nfs/dbraw/zinc/37/56/62/887375662.db2.gz MMYSRGKGZGEYCP-SECBINFHSA-N 1 2 274.321 -2.146 20 0 CAADLO NC(=O)NCCC(=O)NC[C@@H]1C[N@@H+](CCO)CCO1 ZINC001367312221 887375674 /nfs/dbraw/zinc/37/56/74/887375674.db2.gz MMYSRGKGZGEYCP-SECBINFHSA-N 1 2 274.321 -2.146 20 0 CAADLO COCC[N@@H+]1CCO[C@H](CNC(=O)CCn2cnnn2)C1 ZINC001367318313 887376327 /nfs/dbraw/zinc/37/63/27/887376327.db2.gz OMQFBYMGLYPPMN-LLVKDONJSA-N 1 2 298.347 -1.473 20 0 CAADLO COCC[N@H+]1CCO[C@H](CNC(=O)CCn2cnnn2)C1 ZINC001367318313 887376336 /nfs/dbraw/zinc/37/63/36/887376336.db2.gz OMQFBYMGLYPPMN-LLVKDONJSA-N 1 2 298.347 -1.473 20 0 CAADLO CN1CC[C@@H](CC(=O)NC[C@@H]2C[N@H+](CCO)CCO2)C1=O ZINC001367306541 887376743 /nfs/dbraw/zinc/37/67/43/887376743.db2.gz YLENFUMPNJCLOR-NWDGAFQWSA-N 1 2 299.371 -1.336 20 0 CAADLO CN1CC[C@@H](CC(=O)NC[C@@H]2C[N@@H+](CCO)CCO2)C1=O ZINC001367306541 887376752 /nfs/dbraw/zinc/37/67/52/887376752.db2.gz YLENFUMPNJCLOR-NWDGAFQWSA-N 1 2 299.371 -1.336 20 0 CAADLO C[C@H](O)C[N@@H+]1CCO[C@H](CNC(=O)Cc2nc[nH]n2)C1 ZINC001367322398 887377003 /nfs/dbraw/zinc/37/70/03/887377003.db2.gz ZNNSVCPBHNIASI-VHSXEESVSA-N 1 2 283.332 -1.455 20 0 CAADLO C[C@H](O)C[N@H+]1CCO[C@H](CNC(=O)Cc2nc[nH]n2)C1 ZINC001367322398 887377021 /nfs/dbraw/zinc/37/70/21/887377021.db2.gz ZNNSVCPBHNIASI-VHSXEESVSA-N 1 2 283.332 -1.455 20 0 CAADLO COCC[N@@H+]1CCO[C@@H](CNC(=O)CNC(C)=O)C1 ZINC001367302850 887377425 /nfs/dbraw/zinc/37/74/25/887377425.db2.gz YDYXOLMQUVYTHX-NSHDSACASA-N 1 2 273.333 -1.414 20 0 CAADLO COCC[N@H+]1CCO[C@@H](CNC(=O)CNC(C)=O)C1 ZINC001367302850 887377441 /nfs/dbraw/zinc/37/74/41/887377441.db2.gz YDYXOLMQUVYTHX-NSHDSACASA-N 1 2 273.333 -1.414 20 0 CAADLO O=C(NC[C@H]1C[N@H+](CCO)CCO1)[C@]1(F)CCOC1 ZINC001367300552 887378044 /nfs/dbraw/zinc/37/80/44/887378044.db2.gz FAGYGQIKWQYSLD-JQWIXIFHSA-N 1 2 276.308 -1.076 20 0 CAADLO O=C(NC[C@H]1C[N@@H+](CCO)CCO1)[C@]1(F)CCOC1 ZINC001367300552 887378058 /nfs/dbraw/zinc/37/80/58/887378058.db2.gz FAGYGQIKWQYSLD-JQWIXIFHSA-N 1 2 276.308 -1.076 20 0 CAADLO Cn1c[nH+]cc1CC(=O)NC[C@H]1CN(CC(N)=O)CCO1 ZINC001367319250 887378199 /nfs/dbraw/zinc/37/81/99/887378199.db2.gz QEICCENQVMTJBO-NSHDSACASA-N 1 2 295.343 -1.735 20 0 CAADLO Cn1c[nH+]cc1CC(=O)NC[C@@H]1CN(CC(N)=O)CCO1 ZINC001367319244 887378651 /nfs/dbraw/zinc/37/86/51/887378651.db2.gz QEICCENQVMTJBO-LLVKDONJSA-N 1 2 295.343 -1.735 20 0 CAADLO C[C@@H](C(N)=O)N1CCO[C@@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001367305533 887378825 /nfs/dbraw/zinc/37/88/25/887378825.db2.gz FHMKUBVVMMLASP-QWRGUYRKSA-N 1 2 295.343 -1.426 20 0 CAADLO CCC(=O)N(C)CC[N@@H+](C)CC(=O)N1CCNC(=O)C1 ZINC001367497711 887385296 /nfs/dbraw/zinc/38/52/96/887385296.db2.gz OZQYAAQUXCAMDW-UHFFFAOYSA-N 1 2 284.360 -1.255 20 0 CAADLO CCC(=O)N(C)CC[N@H+](C)CC(=O)N1CCNC(=O)C1 ZINC001367497711 887385284 /nfs/dbraw/zinc/38/52/84/887385284.db2.gz OZQYAAQUXCAMDW-UHFFFAOYSA-N 1 2 284.360 -1.255 20 0 CAADLO CNC(=O)C[N@H+](C)CCN(C)C(=O)[C@H](C)NC(C)=O ZINC001367499500 887385926 /nfs/dbraw/zinc/38/59/26/887385926.db2.gz RACVHCXQYDOUMI-VIFPVBQESA-N 1 2 272.349 -1.353 20 0 CAADLO CNC(=O)C[N@@H+](C)CCN(C)C(=O)[C@H](C)NC(C)=O ZINC001367499500 887385941 /nfs/dbraw/zinc/38/59/41/887385941.db2.gz RACVHCXQYDOUMI-VIFPVBQESA-N 1 2 272.349 -1.353 20 0 CAADLO CNC(=O)C[N@H+](C)CCN(C)C(=O)C[C@@H]1CCN(C)C1=O ZINC001367523294 887387006 /nfs/dbraw/zinc/38/70/06/887387006.db2.gz IIOCDAUGVMMNLK-NSHDSACASA-N 1 2 298.387 -1.009 20 0 CAADLO CNC(=O)C[N@@H+](C)CCN(C)C(=O)C[C@@H]1CCN(C)C1=O ZINC001367523294 887387013 /nfs/dbraw/zinc/38/70/13/887387013.db2.gz IIOCDAUGVMMNLK-NSHDSACASA-N 1 2 298.387 -1.009 20 0 CAADLO CNC(=O)C[N@H+](C)CCN(C)C(=O)C[C@H]1CCN(C)C1=O ZINC001367523293 887387887 /nfs/dbraw/zinc/38/78/87/887387887.db2.gz IIOCDAUGVMMNLK-LLVKDONJSA-N 1 2 298.387 -1.009 20 0 CAADLO CC(=O)NCC(=O)N(C)CC[N@H+](C)Cc1cnnn1C ZINC001367500218 887387713 /nfs/dbraw/zinc/38/77/13/887387713.db2.gz BFMTXMLLOLMHJW-UHFFFAOYSA-N 1 2 282.348 -1.159 20 0 CAADLO CC(=O)NCC(=O)N(C)CC[N@@H+](C)Cc1cnnn1C ZINC001367500218 887387722 /nfs/dbraw/zinc/38/77/22/887387722.db2.gz BFMTXMLLOLMHJW-UHFFFAOYSA-N 1 2 282.348 -1.159 20 0 CAADLO CC(C)NC(=O)C[N@H+](C)CCN(C)C(=O)Cn1ncnn1 ZINC001367517498 887388349 /nfs/dbraw/zinc/38/83/49/887388349.db2.gz QUAVPQBHNNGKTG-UHFFFAOYSA-N 1 2 297.363 -1.412 20 0 CAADLO CC(C)NC(=O)C[N@@H+](C)CCN(C)C(=O)Cn1ncnn1 ZINC001367517498 887388360 /nfs/dbraw/zinc/38/83/60/887388360.db2.gz QUAVPQBHNNGKTG-UHFFFAOYSA-N 1 2 297.363 -1.412 20 0 CAADLO CNC(=O)C[N@H+](C)CCN(C)C(=O)C[C@H]1CCC(=O)N1 ZINC001367539678 887388472 /nfs/dbraw/zinc/38/84/72/887388472.db2.gz BBBDOULCOGHQRG-SNVBAGLBSA-N 1 2 284.360 -1.209 20 0 CAADLO CNC(=O)C[N@@H+](C)CCN(C)C(=O)C[C@H]1CCC(=O)N1 ZINC001367539678 887388477 /nfs/dbraw/zinc/38/84/77/887388477.db2.gz BBBDOULCOGHQRG-SNVBAGLBSA-N 1 2 284.360 -1.209 20 0 CAADLO Cc1nnc(C[NH2+]C[C@@H](O)CNC(=O)c2cn[nH]c2)o1 ZINC001367567307 887391659 /nfs/dbraw/zinc/39/16/59/887391659.db2.gz MKNFRXMNOIYKPY-SECBINFHSA-N 1 2 280.288 -1.018 20 0 CAADLO CC(=O)NCC(=O)NC[C@@H](O)C[NH2+]Cc1nnc(C)o1 ZINC001367571017 887396664 /nfs/dbraw/zinc/39/66/64/887396664.db2.gz XLMYUFRKIDCOQD-VIFPVBQESA-N 1 2 285.304 -1.919 20 0 CAADLO Cc1noc(C[NH2+]C[C@H](O)CNC(=O)[C@H](O)C(C)C)n1 ZINC001367580657 887400128 /nfs/dbraw/zinc/40/01/28/887400128.db2.gz HCOSYZKSAZNBIL-GXSJLCMTSA-N 1 2 286.332 -1.038 20 0 CAADLO C[C@H](C[NH2+]Cc1nnnn1C)NC(=O)CS(C)(=O)=O ZINC001367658794 887419099 /nfs/dbraw/zinc/41/90/99/887419099.db2.gz LIGHLXQMMVCNKD-SSDOTTSWSA-N 1 2 290.349 -2.151 20 0 CAADLO Cc1nccnc1C[NH2+]C[C@H](O)CNC(=O)c1nc[nH]n1 ZINC001367663890 887419205 /nfs/dbraw/zinc/41/92/05/887419205.db2.gz NBRVRWZVJDQUQE-VIFPVBQESA-N 1 2 291.315 -1.216 20 0 CAADLO Cc1noc(C[NH2+]C[C@@H](C)NC(=O)Cn2cnnn2)n1 ZINC001367655955 887420871 /nfs/dbraw/zinc/42/08/71/887420871.db2.gz MOCNEZYZIGJICJ-SSDOTTSWSA-N 1 2 280.292 -1.341 20 0 CAADLO C[C@H]([NH2+]C[C@@H](O)CNC(=O)c1nnc[nH]1)c1nncn1C ZINC001367662514 887421012 /nfs/dbraw/zinc/42/10/12/887421012.db2.gz MQZRAYJRUZGTAL-JGVFFNPUSA-N 1 2 294.319 -1.625 20 0 CAADLO C[C@H]([NH2+]C[C@@H](O)CNC(=O)c1ncn[nH]1)c1nncn1C ZINC001367662514 887421021 /nfs/dbraw/zinc/42/10/21/887421021.db2.gz MQZRAYJRUZGTAL-JGVFFNPUSA-N 1 2 294.319 -1.625 20 0 CAADLO C[C@H]([NH2+]C[C@@H](O)CNC(=O)c1nc[nH]n1)c1nncn1C ZINC001367662514 887421039 /nfs/dbraw/zinc/42/10/39/887421039.db2.gz MQZRAYJRUZGTAL-JGVFFNPUSA-N 1 2 294.319 -1.625 20 0 CAADLO C[C@H](C[NH2+][C@H](C)c1nnnn1C)NC(=O)c1cn[nH]n1 ZINC001367684466 887422978 /nfs/dbraw/zinc/42/29/78/887422978.db2.gz NFCUDEXLOMJKOU-RNFRBKRXSA-N 1 2 279.308 -1.203 20 0 CAADLO C[C@H](C[NH2+][C@H](C)c1nnnn1C)NC(=O)c1cnn[nH]1 ZINC001367684466 887422986 /nfs/dbraw/zinc/42/29/86/887422986.db2.gz NFCUDEXLOMJKOU-RNFRBKRXSA-N 1 2 279.308 -1.203 20 0 CAADLO Cc1nnc(C[NH2+]C[C@@H](C)NC(=O)[C@H]2CN(C)C(=O)N2)o1 ZINC001367688147 887423685 /nfs/dbraw/zinc/42/36/85/887423685.db2.gz BYFGDUYBSFCZQX-VXNVDRBHSA-N 1 2 296.331 -1.004 20 0 CAADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)N1CC(S(N)(=O)=O)C1 ZINC001367689646 887423847 /nfs/dbraw/zinc/42/38/47/887423847.db2.gz XOLZMAGDRNQVQE-QMMMGPOBSA-N 1 2 287.345 -1.046 20 0 CAADLO Cc1noc(C[NH2+]C[C@H](C)NC(=O)[C@H]2CNC(=O)N2)n1 ZINC001367754094 887430010 /nfs/dbraw/zinc/43/00/10/887430010.db2.gz NPIXZPUALLWWHR-POYBYMJQSA-N 1 2 282.304 -1.346 20 0 CAADLO C[C@@H](C[NH2+]Cc1nncn1C)NC(=O)Cc1nnc[nH]1 ZINC001367769228 887431642 /nfs/dbraw/zinc/43/16/42/887431642.db2.gz USBCWOOKSMFELR-QMMMGPOBSA-N 1 2 278.320 -1.230 20 0 CAADLO C[C@@H](CNCc1nnn(C)n1)NC(=O)Cn1cc[nH+]c1 ZINC001367773346 887432361 /nfs/dbraw/zinc/43/23/61/887432361.db2.gz LBCRFXACVZUQFJ-VIFPVBQESA-N 1 2 278.320 -1.299 20 0 CAADLO C[C@@H](C[NH2+]Cc1cnsn1)NC(=O)[C@@H]1CNC(=O)N1 ZINC001367752109 887432452 /nfs/dbraw/zinc/43/24/52/887432452.db2.gz BVLVJROSFKIHFE-XPUUQOCRSA-N 1 2 284.345 -1.186 20 0 CAADLO C[C@@H](C[N@H+](C)Cc1cnnn1C)NC(=O)[C@@H]1COC(=O)N1 ZINC001367810008 887433770 /nfs/dbraw/zinc/43/37/70/887433770.db2.gz RFNZCGSERPPQHN-WPRPVWTQSA-N 1 2 296.331 -1.140 20 0 CAADLO C[C@@H](C[N@@H+](C)Cc1cnnn1C)NC(=O)[C@@H]1COC(=O)N1 ZINC001367810008 887433777 /nfs/dbraw/zinc/43/37/77/887433777.db2.gz RFNZCGSERPPQHN-WPRPVWTQSA-N 1 2 296.331 -1.140 20 0 CAADLO CC(=O)NCC(=O)N[C@H](C[NH2+]Cc1nnn(C)n1)C1CC1 ZINC001367876361 887437983 /nfs/dbraw/zinc/43/79/83/887437983.db2.gz MSFQMMQCLOACFL-SNVBAGLBSA-N 1 2 295.347 -1.669 20 0 CAADLO CC[C@@H](C(N)=O)[N@@H+]1CC[C@H]1CNC(=O)CN1CCOCC1 ZINC001367942370 887440108 /nfs/dbraw/zinc/44/01/08/887440108.db2.gz MWRODERFZGUKLY-RYUDHWBXSA-N 1 2 298.387 -1.227 20 0 CAADLO CC[C@@H](C(N)=O)[N@H+]1CC[C@H]1CNC(=O)CN1CCOCC1 ZINC001367942370 887440122 /nfs/dbraw/zinc/44/01/22/887440122.db2.gz MWRODERFZGUKLY-RYUDHWBXSA-N 1 2 298.387 -1.227 20 0 CAADLO COC(=O)NCC(=O)NC[C@H]1CC[N@@H+]1[C@@H]1CCNC1=O ZINC001367934004 887440431 /nfs/dbraw/zinc/44/04/31/887440431.db2.gz DVZMBHRPTBQEOD-RKDXNWHRSA-N 1 2 284.316 -1.579 20 0 CAADLO COC(=O)NCC(=O)NC[C@H]1CC[N@H+]1[C@@H]1CCNC1=O ZINC001367934004 887440440 /nfs/dbraw/zinc/44/04/40/887440440.db2.gz DVZMBHRPTBQEOD-RKDXNWHRSA-N 1 2 284.316 -1.579 20 0 CAADLO Cn1cc(C[N@@H+]2CC[C@H]2CNC(=O)Cn2ncnn2)cn1 ZINC001367939766 887440465 /nfs/dbraw/zinc/44/04/65/887440465.db2.gz PQJFPSSAAHLGJM-NSHDSACASA-N 1 2 290.331 -1.203 20 0 CAADLO Cn1cc(C[N@H+]2CC[C@H]2CNC(=O)Cn2ncnn2)cn1 ZINC001367939766 887440474 /nfs/dbraw/zinc/44/04/74/887440474.db2.gz PQJFPSSAAHLGJM-NSHDSACASA-N 1 2 290.331 -1.203 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+]1CC[C@H]1CNC(=O)CN1CCCC1=O ZINC001367931104 887441036 /nfs/dbraw/zinc/44/10/36/887441036.db2.gz LULCBXLKHCNZQJ-MNOVXSKESA-N 1 2 296.371 -1.066 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+]1CC[C@H]1CNC(=O)CN1CCCC1=O ZINC001367931104 887441045 /nfs/dbraw/zinc/44/10/45/887441045.db2.gz LULCBXLKHCNZQJ-MNOVXSKESA-N 1 2 296.371 -1.066 20 0 CAADLO CC(=O)N(C)CC(=O)NC[C@H]1CC[N@@H+]1CC(=O)N1CCC1 ZINC001367932531 887441227 /nfs/dbraw/zinc/44/12/27/887441227.db2.gz GTCHEASURZBJJB-GFCCVEGCSA-N 1 2 296.371 -1.113 20 0 CAADLO CC(=O)N(C)CC(=O)NC[C@H]1CC[N@H+]1CC(=O)N1CCC1 ZINC001367932531 887441235 /nfs/dbraw/zinc/44/12/35/887441235.db2.gz GTCHEASURZBJJB-GFCCVEGCSA-N 1 2 296.371 -1.113 20 0 CAADLO CC[C@H](C(N)=O)[N@@H+]1CC[C@H]1CNC(=O)CN1CCOCC1 ZINC001367942368 887441254 /nfs/dbraw/zinc/44/12/54/887441254.db2.gz MWRODERFZGUKLY-NWDGAFQWSA-N 1 2 298.387 -1.227 20 0 CAADLO CC[C@H](C(N)=O)[N@H+]1CC[C@H]1CNC(=O)CN1CCOCC1 ZINC001367942368 887441262 /nfs/dbraw/zinc/44/12/62/887441262.db2.gz MWRODERFZGUKLY-NWDGAFQWSA-N 1 2 298.387 -1.227 20 0 CAADLO CC[C@@H](C(N)=O)[N@@H+]1CC[C@@H]1CNC(=O)CN1CCOCC1 ZINC001367942364 887441297 /nfs/dbraw/zinc/44/12/97/887441297.db2.gz MWRODERFZGUKLY-NEPJUHHUSA-N 1 2 298.387 -1.227 20 0 CAADLO CC[C@@H](C(N)=O)[N@H+]1CC[C@@H]1CNC(=O)CN1CCOCC1 ZINC001367942364 887441305 /nfs/dbraw/zinc/44/13/05/887441305.db2.gz MWRODERFZGUKLY-NEPJUHHUSA-N 1 2 298.387 -1.227 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+]1CC[C@H]1CNC(=O)CN1CCOCC1 ZINC001367940523 887441355 /nfs/dbraw/zinc/44/13/55/887441355.db2.gz LQXFHHABQXONGY-NEPJUHHUSA-N 1 2 298.387 -1.356 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+]1CC[C@H]1CNC(=O)CN1CCOCC1 ZINC001367940523 887441361 /nfs/dbraw/zinc/44/13/61/887441361.db2.gz LQXFHHABQXONGY-NEPJUHHUSA-N 1 2 298.387 -1.356 20 0 CAADLO CC[C@H](C(N)=O)[N@@H+]1CC[C@H]1CNC(=O)CNC(=O)NC ZINC001367948805 887441518 /nfs/dbraw/zinc/44/15/18/887441518.db2.gz KHZQVUGKZJABQZ-DTWKUNHWSA-N 1 2 285.348 -1.630 20 0 CAADLO CC[C@H](C(N)=O)[N@H+]1CC[C@H]1CNC(=O)CNC(=O)NC ZINC001367948805 887441527 /nfs/dbraw/zinc/44/15/27/887441527.db2.gz KHZQVUGKZJABQZ-DTWKUNHWSA-N 1 2 285.348 -1.630 20 0 CAADLO Cn1c[nH+]cc1CN1CC[C@@H]1CNC(=O)Cn1cnnn1 ZINC001367935330 887441909 /nfs/dbraw/zinc/44/19/09/887441909.db2.gz VADWLQYPHUFFNN-SNVBAGLBSA-N 1 2 290.331 -1.203 20 0 CAADLO COC(=O)NCC(=O)NC[C@@H]1CC[N@@H+]1[C@@H]1CCNC1=O ZINC001367934000 887442185 /nfs/dbraw/zinc/44/21/85/887442185.db2.gz DVZMBHRPTBQEOD-DTWKUNHWSA-N 1 2 284.316 -1.579 20 0 CAADLO COC(=O)NCC(=O)NC[C@@H]1CC[N@H+]1[C@@H]1CCNC1=O ZINC001367934000 887442191 /nfs/dbraw/zinc/44/21/91/887442191.db2.gz DVZMBHRPTBQEOD-DTWKUNHWSA-N 1 2 284.316 -1.579 20 0 CAADLO CCNC(=O)CCC(=O)NC[C@@H]1CC[N@@H+]1[C@H](C)C(N)=O ZINC001367934256 887442227 /nfs/dbraw/zinc/44/22/27/887442227.db2.gz KLKONFXAFKGYFO-ZJUUUORDSA-N 1 2 284.360 -1.033 20 0 CAADLO CCNC(=O)CCC(=O)NC[C@@H]1CC[N@H+]1[C@H](C)C(N)=O ZINC001367934256 887442231 /nfs/dbraw/zinc/44/22/31/887442231.db2.gz KLKONFXAFKGYFO-ZJUUUORDSA-N 1 2 284.360 -1.033 20 0 CAADLO CN(C)C(=O)C[N@@H+]1CC[C@H]1CNC(=O)C[C@H]1CCNC1=O ZINC001367950597 887442248 /nfs/dbraw/zinc/44/22/48/887442248.db2.gz NHBYZTQXOHZOEH-MNOVXSKESA-N 1 2 296.371 -1.209 20 0 CAADLO CN(C)C(=O)C[N@H+]1CC[C@H]1CNC(=O)C[C@H]1CCNC1=O ZINC001367950597 887442253 /nfs/dbraw/zinc/44/22/53/887442253.db2.gz NHBYZTQXOHZOEH-MNOVXSKESA-N 1 2 296.371 -1.209 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+]1CC[C@@H]1CNC(=O)CN1CCCC1=O ZINC001367931101 887442603 /nfs/dbraw/zinc/44/26/03/887442603.db2.gz LULCBXLKHCNZQJ-GHMZBOCLSA-N 1 2 296.371 -1.066 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+]1CC[C@@H]1CNC(=O)CN1CCCC1=O ZINC001367931101 887442610 /nfs/dbraw/zinc/44/26/10/887442610.db2.gz LULCBXLKHCNZQJ-GHMZBOCLSA-N 1 2 296.371 -1.066 20 0 CAADLO CN1CC[C@@H]([N@@H+]2CC[C@H]2CNC(=O)Cn2cncn2)C1=O ZINC001367978419 887445917 /nfs/dbraw/zinc/44/59/17/887445917.db2.gz VDKNLONPLIHPQY-WDEREUQCSA-N 1 2 292.343 -1.301 20 0 CAADLO CN1CC[C@@H]([N@H+]2CC[C@H]2CNC(=O)Cn2cncn2)C1=O ZINC001367978419 887445930 /nfs/dbraw/zinc/44/59/30/887445930.db2.gz VDKNLONPLIHPQY-WDEREUQCSA-N 1 2 292.343 -1.301 20 0 CAADLO Cn1cnnc1C[NH2+]C1(CNC(=O)[C@@H]2CNC(=O)N2)CC1 ZINC001368019174 887449208 /nfs/dbraw/zinc/44/92/08/887449208.db2.gz CTEJLKJTKSVAOX-QMMMGPOBSA-N 1 2 293.331 -1.765 20 0 CAADLO C[C@@H]1C[N@H+](CCNC(=O)N[C@@H]2COC[C@H]2O)CCO1 ZINC001368046701 887449616 /nfs/dbraw/zinc/44/96/16/887449616.db2.gz VJYLIVJMWGZVBX-GMTAPVOTSA-N 1 2 273.333 -1.234 20 0 CAADLO C[C@@H]1C[N@@H+](CCNC(=O)N[C@@H]2COC[C@H]2O)CCO1 ZINC001368046701 887449629 /nfs/dbraw/zinc/44/96/29/887449629.db2.gz VJYLIVJMWGZVBX-GMTAPVOTSA-N 1 2 273.333 -1.234 20 0 CAADLO Cn1cncc1C(=O)NCC1([NH2+]Cc2nnnn2C)CC1 ZINC001368006860 887450971 /nfs/dbraw/zinc/45/09/71/887450971.db2.gz KVYOQHWMHFIIGV-UHFFFAOYSA-N 1 2 290.331 -1.004 20 0 CAADLO COCC(=O)N[C@@]1(C)CC[N@H+](Cc2nc(=O)n(C)[nH]2)C1 ZINC001368145392 887452895 /nfs/dbraw/zinc/45/28/95/887452895.db2.gz NTEZVRLRRIKUCE-LBPRGKRZSA-N 1 2 283.332 -1.165 20 0 CAADLO COCC(=O)N[C@@]1(C)CC[N@@H+](Cc2nc(=O)n(C)[nH]2)C1 ZINC001368145392 887452904 /nfs/dbraw/zinc/45/29/04/887452904.db2.gz NTEZVRLRRIKUCE-LBPRGKRZSA-N 1 2 283.332 -1.165 20 0 CAADLO CN(C(=O)CNC(=O)c1ccccn1)C1C[NH+](CCO)C1 ZINC001368089613 887454022 /nfs/dbraw/zinc/45/40/22/887454022.db2.gz NEDCRNFZGMQXGP-UHFFFAOYSA-N 1 2 292.339 -1.054 20 0 CAADLO COCC(=O)N[C@]1(C)CC[N@H+](Cc2nc(=O)n(C)[nH]2)C1 ZINC001368145389 887454077 /nfs/dbraw/zinc/45/40/77/887454077.db2.gz NTEZVRLRRIKUCE-GFCCVEGCSA-N 1 2 283.332 -1.165 20 0 CAADLO COCC(=O)N[C@]1(C)CC[N@@H+](Cc2nc(=O)n(C)[nH]2)C1 ZINC001368145389 887454082 /nfs/dbraw/zinc/45/40/82/887454082.db2.gz NTEZVRLRRIKUCE-GFCCVEGCSA-N 1 2 283.332 -1.165 20 0 CAADLO CO[C@H](C)C[NH+]1CC(O)(CNC(=O)[C@H](C)NC(C)=O)C1 ZINC001368281400 887465538 /nfs/dbraw/zinc/46/55/38/887465538.db2.gz TVCLUFYJSPOHIL-ZJUUUORDSA-N 1 2 287.360 -1.291 20 0 CAADLO CO[C@@H](C)C[NH+]1CC(O)(CNC(=O)[C@@H](C)NC(C)=O)C1 ZINC001368281399 887466267 /nfs/dbraw/zinc/46/62/67/887466267.db2.gz TVCLUFYJSPOHIL-VHSXEESVSA-N 1 2 287.360 -1.291 20 0 CAADLO C[C@H](O)C[NH+]1CC(O)(CNC(=O)CCn2cncn2)C1 ZINC001368281442 887467550 /nfs/dbraw/zinc/46/75/50/887467550.db2.gz PWUVWSBUUWTQIY-JTQLQIEISA-N 1 2 283.332 -1.788 20 0 CAADLO C[C@@H](O)C[NH+]1CC(O)(CNC(=O)CCn2cncn2)C1 ZINC001368281446 887467860 /nfs/dbraw/zinc/46/78/60/887467860.db2.gz PWUVWSBUUWTQIY-SNVBAGLBSA-N 1 2 283.332 -1.788 20 0 CAADLO COC[C@@H](C)[NH+]1CC(O)(CNC(=O)[C@@H](C)NC(C)=O)C1 ZINC001368282734 887469212 /nfs/dbraw/zinc/46/92/12/887469212.db2.gz XONHHBAKMXEGOV-NXEZZACHSA-N 1 2 287.360 -1.291 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(O)(CNC(=O)c2ccon2)C1 ZINC001368288760 887470444 /nfs/dbraw/zinc/47/04/44/887470444.db2.gz CTWPUKPNEMYDII-VIFPVBQESA-N 1 2 285.300 -1.542 20 0 CAADLO COC[C@@H](C)[NH+]1CC(O)(CNC(=O)[C@H](C)NC(C)=O)C1 ZINC001368282746 887470628 /nfs/dbraw/zinc/47/06/28/887470628.db2.gz XONHHBAKMXEGOV-ZJUUUORDSA-N 1 2 287.360 -1.291 20 0 CAADLO COC[C@H](O)C[NH+]1CC(O)(CNC(=O)c2coc(C)n2)C1 ZINC001368289462 887470910 /nfs/dbraw/zinc/47/09/10/887470910.db2.gz IUVNVQQIRDRBCC-SNVBAGLBSA-N 1 2 299.327 -1.233 20 0 CAADLO COC[C@H](C)[NH+]1CC(O)(CNC(=O)[C@H](C)NC(N)=O)C1 ZINC001368291814 887473241 /nfs/dbraw/zinc/47/32/41/887473241.db2.gz PMILPRZBQBQXAB-IUCAKERBSA-N 1 2 288.348 -1.759 20 0 CAADLO COC[C@H](C)[NH+]1CC(O)(CNC(=O)[C@@H](C)CC(N)=O)C1 ZINC001368303411 887473302 /nfs/dbraw/zinc/47/33/02/887473302.db2.gz NOHCLLKZKFTJSJ-UWVGGRQHSA-N 1 2 287.360 -1.304 20 0 CAADLO Cc1ccnc(C(=O)NCC2(O)C[NH+](C[C@@H](C)O)C2)n1 ZINC001368298289 887473743 /nfs/dbraw/zinc/47/37/43/887473743.db2.gz TZCZVUDCHKLHEE-SNVBAGLBSA-N 1 2 280.328 -1.058 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(O)(CNC(=O)c2cnnn2C)C1 ZINC001368297373 887473816 /nfs/dbraw/zinc/47/38/16/887473816.db2.gz PSEHRGUGDUXPDA-VIFPVBQESA-N 1 2 299.331 -2.401 20 0 CAADLO CC[NH+]1CC(O)(CNC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001368296473 887474088 /nfs/dbraw/zinc/47/40/88/887474088.db2.gz ZUDNQHIYQCTEOC-UHFFFAOYSA-N 1 2 282.304 -2.440 20 0 CAADLO Cc1cn(C)nc1C(=O)NCC1(O)C[NH+](C[C@H](C)O)C1 ZINC001368297029 887474215 /nfs/dbraw/zinc/47/42/15/887474215.db2.gz WEJIIRIXHYNSEU-JTQLQIEISA-N 1 2 282.344 -1.114 20 0 CAADLO O=C(NCC1(O)C[NH+](CCCO)C1)c1cc2n(n1)CCO2 ZINC001368303238 887474381 /nfs/dbraw/zinc/47/43/81/887474381.db2.gz XQFMIFLHSGXDFM-UHFFFAOYSA-N 1 2 296.327 -1.566 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(O)(CNC(=O)c2ccccn2)C1 ZINC001368308849 887475705 /nfs/dbraw/zinc/47/57/05/887475705.db2.gz BGSOPHIFFHRUEW-NSHDSACASA-N 1 2 295.339 -1.135 20 0 CAADLO COC[C@H](O)C[NH+]1CC(O)(CNC(=O)c2nc(C)c[nH]2)C1 ZINC001368312008 887475719 /nfs/dbraw/zinc/47/57/19/887475719.db2.gz XBSGEYAZVHITCP-SNVBAGLBSA-N 1 2 298.343 -1.498 20 0 CAADLO CN(C)C(=O)CN1CC(O)(CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001368317953 887475779 /nfs/dbraw/zinc/47/57/79/887475779.db2.gz LIAUMGSCJLTSRU-UHFFFAOYSA-N 1 2 295.343 -1.797 20 0 CAADLO COC[C@@H](C)[NH+]1CC(O)(CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001368304219 887475859 /nfs/dbraw/zinc/47/58/59/887475859.db2.gz ABOPLENZAZKFOZ-RKDXNWHRSA-N 1 2 286.332 -2.134 20 0 CAADLO O=C(CCc1cn[nH]c1)NCC1(O)C[NH+](CCCO)C1 ZINC001368309322 887476558 /nfs/dbraw/zinc/47/65/58/887476558.db2.gz FJXGNUNCPOKOMQ-UHFFFAOYSA-N 1 2 282.344 -1.112 20 0 CAADLO C[C@@]1(C(=O)NCC2(O)C[NH+](CCCO)C2)CCOC1 ZINC001368318603 887476717 /nfs/dbraw/zinc/47/67/17/887476717.db2.gz SDFNBMKPVWQQDK-GFCCVEGCSA-N 1 2 272.345 -1.042 20 0 CAADLO Cn1nnc(C(=O)NCC2(O)C[NH+](CCCO)C2)n1 ZINC001368306740 887476992 /nfs/dbraw/zinc/47/69/92/887476992.db2.gz SCDPDBVBHNTKDA-UHFFFAOYSA-N 1 2 270.293 -2.631 20 0 CAADLO CO[C@H](C)C[NH+]1CC(O)(CNC(=O)c2cn(C)c(=O)[nH]2)C1 ZINC001368308951 887476972 /nfs/dbraw/zinc/47/69/72/887476972.db2.gz XMFOODMISIYCMN-SECBINFHSA-N 1 2 298.343 -1.063 20 0 CAADLO COC[C@@H](C)[NH+]1CC(O)(CNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001368304178 887477818 /nfs/dbraw/zinc/47/78/18/887477818.db2.gz ABOPLENZAZKFOZ-BDAKNGLRSA-N 1 2 286.332 -2.134 20 0 CAADLO CCCn1cc(C(=O)NCC2(O)C[NH+](CCCO)C2)nn1 ZINC001368319138 887477927 /nfs/dbraw/zinc/47/79/27/887477927.db2.gz XHSHFFLDMUJAIY-UHFFFAOYSA-N 1 2 297.359 -1.153 20 0 CAADLO Cc1nccc(C(=O)NCC2(O)C[NH+](C[C@@H](C)O)C2)n1 ZINC001368324884 887479319 /nfs/dbraw/zinc/47/93/19/887479319.db2.gz HEROADMCRGDACU-SECBINFHSA-N 1 2 280.328 -1.058 20 0 CAADLO Cc1nccc(C(=O)NCC2(O)C[NH+](C[C@H](C)O)C2)n1 ZINC001368324887 887479942 /nfs/dbraw/zinc/47/99/42/887479942.db2.gz HEROADMCRGDACU-VIFPVBQESA-N 1 2 280.328 -1.058 20 0 CAADLO C[C@H]1CN(C(=O)Cc2ncn[nH]2)C[C@H]1C[NH2+]CC(N)=O ZINC001368349220 887480258 /nfs/dbraw/zinc/48/02/58/887480258.db2.gz JNJVRUHSRGWMNE-DTWKUNHWSA-N 1 2 280.332 -1.483 20 0 CAADLO CC[NH+]1CC(O)(CNC(=O)c2cccc(C(N)=O)n2)C1 ZINC001368330500 887480598 /nfs/dbraw/zinc/48/05/98/887480598.db2.gz SXQPSBMMBVMIRR-UHFFFAOYSA-N 1 2 278.312 -1.023 20 0 CAADLO O=C(CCc1cnn[nH]1)N[C@]1(CO)CCC[N@@H+](CCO)C1 ZINC001368375169 887482265 /nfs/dbraw/zinc/48/22/65/887482265.db2.gz KPDQJXYVLVVVEJ-CYBMUJFWSA-N 1 2 297.359 -1.327 20 0 CAADLO O=C(CCc1cnn[nH]1)N[C@]1(CO)CCC[N@H+](CCO)C1 ZINC001368375169 887482274 /nfs/dbraw/zinc/48/22/74/887482274.db2.gz KPDQJXYVLVVVEJ-CYBMUJFWSA-N 1 2 297.359 -1.327 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@@](CO)(NC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001368384743 887483540 /nfs/dbraw/zinc/48/35/40/887483540.db2.gz XMGTYGBFLDAUFA-TVQRCGJNSA-N 1 2 298.343 -2.307 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@@](CO)(NC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001368384743 887483550 /nfs/dbraw/zinc/48/35/50/887483550.db2.gz XMGTYGBFLDAUFA-TVQRCGJNSA-N 1 2 298.343 -2.307 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@](CO)(NC(=O)C[C@H]2CCOC2)C1 ZINC001368376982 887483701 /nfs/dbraw/zinc/48/37/01/887483701.db2.gz VDVGRSSWGUBWFO-RISCZKNCSA-N 1 2 299.371 -1.159 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@](CO)(NC(=O)C[C@H]2CCOC2)C1 ZINC001368376982 887483714 /nfs/dbraw/zinc/48/37/14/887483714.db2.gz VDVGRSSWGUBWFO-RISCZKNCSA-N 1 2 299.371 -1.159 20 0 CAADLO O=C(CCc1cnn[nH]1)N[C@@]1(CO)CCC[N@@H+](CCO)C1 ZINC001368375170 887484079 /nfs/dbraw/zinc/48/40/79/887484079.db2.gz KPDQJXYVLVVVEJ-ZDUSSCGKSA-N 1 2 297.359 -1.327 20 0 CAADLO O=C(CCc1cnn[nH]1)N[C@@]1(CO)CCC[N@H+](CCO)C1 ZINC001368375170 887484089 /nfs/dbraw/zinc/48/40/89/887484089.db2.gz KPDQJXYVLVVVEJ-ZDUSSCGKSA-N 1 2 297.359 -1.327 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@](CO)(NC(=O)[C@@H]2CCCOC2)C1 ZINC001368374232 887485011 /nfs/dbraw/zinc/48/50/11/887485011.db2.gz QELYIBITVUJPQH-RISCZKNCSA-N 1 2 299.371 -1.159 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@](CO)(NC(=O)[C@@H]2CCCOC2)C1 ZINC001368374232 887485017 /nfs/dbraw/zinc/48/50/17/887485017.db2.gz QELYIBITVUJPQH-RISCZKNCSA-N 1 2 299.371 -1.159 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)CCn1cnnn1 ZINC001368419682 887486836 /nfs/dbraw/zinc/48/68/36/887486836.db2.gz RRNIYTSROWYELA-JTQLQIEISA-N 1 2 295.347 -1.658 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)CCn1cnnn1 ZINC001368419682 887486841 /nfs/dbraw/zinc/48/68/41/887486841.db2.gz RRNIYTSROWYELA-JTQLQIEISA-N 1 2 295.347 -1.658 20 0 CAADLO CC[N@@H+]1CCOC[C@H]1CNC(=O)CCNC(=O)COC ZINC001368442892 887486854 /nfs/dbraw/zinc/48/68/54/887486854.db2.gz SLPRLSHOXJQEHA-LLVKDONJSA-N 1 2 287.360 -1.024 20 0 CAADLO CC[N@H+]1CCOC[C@H]1CNC(=O)CCNC(=O)COC ZINC001368442892 887486858 /nfs/dbraw/zinc/48/68/58/887486858.db2.gz SLPRLSHOXJQEHA-LLVKDONJSA-N 1 2 287.360 -1.024 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)CCn1cnnn1 ZINC001368419695 887488033 /nfs/dbraw/zinc/48/80/33/887488033.db2.gz RRNIYTSROWYELA-SNVBAGLBSA-N 1 2 295.347 -1.658 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)CCn1cnnn1 ZINC001368419695 887488040 /nfs/dbraw/zinc/48/80/40/887488040.db2.gz RRNIYTSROWYELA-SNVBAGLBSA-N 1 2 295.347 -1.658 20 0 CAADLO CC[N@@H+]1CCOC[C@@H]1CNC(=O)CCNC(=O)COC ZINC001368442895 887488456 /nfs/dbraw/zinc/48/84/56/887488456.db2.gz SLPRLSHOXJQEHA-NSHDSACASA-N 1 2 287.360 -1.024 20 0 CAADLO CC[N@H+]1CCOC[C@@H]1CNC(=O)CCNC(=O)COC ZINC001368442895 887488462 /nfs/dbraw/zinc/48/84/62/887488462.db2.gz SLPRLSHOXJQEHA-NSHDSACASA-N 1 2 287.360 -1.024 20 0 CAADLO O=C(CCn1cncn1)NC[C@H]1COCC[N@H+]1CCCO ZINC001368493096 887489575 /nfs/dbraw/zinc/48/95/75/887489575.db2.gz RNXAWEMZWKBNNZ-LBPRGKRZSA-N 1 2 297.359 -1.132 20 0 CAADLO O=C(CCn1cncn1)NC[C@H]1COCC[N@@H+]1CCCO ZINC001368493096 887489583 /nfs/dbraw/zinc/48/95/83/887489583.db2.gz RNXAWEMZWKBNNZ-LBPRGKRZSA-N 1 2 297.359 -1.132 20 0 CAADLO COCC(=O)N[C@H]1COC2(C[NH+](C[C@@H](O)COC)C2)C1 ZINC001368585353 887493878 /nfs/dbraw/zinc/49/38/78/887493878.db2.gz XMEQHBBNXNYOGP-GHMZBOCLSA-N 1 2 288.344 -1.400 20 0 CAADLO COCC[NH+]1CC2(C1)C[C@H](NC(=O)CNC(C)=O)CO2 ZINC001368579974 887494366 /nfs/dbraw/zinc/49/43/66/887494366.db2.gz MRXIWRBGDVXQEU-NSHDSACASA-N 1 2 285.344 -1.272 20 0 CAADLO CNC(=O)C[NH2+][C@@H]1CN(C(=O)Cc2ncn[nH]2)C[C@@H]1C ZINC001368664342 887497792 /nfs/dbraw/zinc/49/77/92/887497792.db2.gz XDGVGXSCTDOMSU-DTWKUNHWSA-N 1 2 280.332 -1.470 20 0 CAADLO NC(=O)C[NH+]1CCC(CO)(NC(=O)[C@H]2CNC(=O)N2)CC1 ZINC001368771869 887500023 /nfs/dbraw/zinc/50/00/23/887500023.db2.gz YCDOIZCNCCDTPL-MRVPVSSYSA-N 1 2 299.331 -2.904 20 0 CAADLO Cc1n[nH]cc1C(=O)NC1(CO)CC[NH+](CC(N)=O)CC1 ZINC001368771681 887501165 /nfs/dbraw/zinc/50/11/65/887501165.db2.gz UCWLSKXBTSPSNP-UHFFFAOYSA-N 1 2 295.343 -1.240 20 0 CAADLO NC(=O)C[NH+]1CCC(CO)(NC(=O)Cn2ncnn2)CC1 ZINC001368760843 887501484 /nfs/dbraw/zinc/50/14/84/887501484.db2.gz LVTXPVKUTVQBIB-UHFFFAOYSA-N 1 2 297.319 -2.899 20 0 CAADLO CC(=O)NCC(=O)NC[C@@H](C)[N@H+](C)Cc1nc(=O)n(C)[nH]1 ZINC001368932935 887510171 /nfs/dbraw/zinc/51/01/71/887510171.db2.gz RVBUDPTZTBEYEN-MRVPVSSYSA-N 1 2 298.347 -1.819 20 0 CAADLO CC(=O)NCC(=O)NC[C@@H](C)[N@@H+](C)Cc1nc(=O)n(C)[nH]1 ZINC001368932935 887510174 /nfs/dbraw/zinc/51/01/74/887510174.db2.gz RVBUDPTZTBEYEN-MRVPVSSYSA-N 1 2 298.347 -1.819 20 0 CAADLO C[C@@H](CNC(=O)Cc1nnc[nH]1)[N@H+](C)[C@@H]1CCNC1=O ZINC001369004363 887513086 /nfs/dbraw/zinc/51/30/86/887513086.db2.gz VOPYCOKUCOIZRL-DTWKUNHWSA-N 1 2 280.332 -1.328 20 0 CAADLO C[C@@H](CNC(=O)Cc1nnc[nH]1)[N@@H+](C)[C@@H]1CCNC1=O ZINC001369004363 887513096 /nfs/dbraw/zinc/51/30/96/887513096.db2.gz VOPYCOKUCOIZRL-DTWKUNHWSA-N 1 2 280.332 -1.328 20 0 CAADLO O=C(NC1(CCO)C[NH+](CCCO)C1)c1ccc(=O)[nH]n1 ZINC001369014583 887513223 /nfs/dbraw/zinc/51/32/23/887513223.db2.gz MDWBECBPHJPWFR-UHFFFAOYSA-N 1 2 296.327 -1.269 20 0 CAADLO C[C@@H](O)C[NH+]1CC(CCO)(NC(=O)c2nccnc2N)C1 ZINC001369018445 887514976 /nfs/dbraw/zinc/51/49/76/887514976.db2.gz VSTIGKSEGCBPOE-SECBINFHSA-N 1 2 295.343 -1.394 20 0 CAADLO C[C@H](O)C[NH+]1CC(CCO)(NC(=O)Cc2cnn(C)c2)C1 ZINC001369014591 887516391 /nfs/dbraw/zinc/51/63/91/887516391.db2.gz ANXMKWRHMBHEJV-NSHDSACASA-N 1 2 296.371 -1.104 20 0 CAADLO CCC(=O)N[C@@H](C)C(=O)N[C@H](C)C1C[NH+](CC(N)=O)C1 ZINC001369070517 887517609 /nfs/dbraw/zinc/51/76/09/887517609.db2.gz DFKYFXFKSWZJPH-BDAKNGLRSA-N 1 2 284.360 -1.177 20 0 CAADLO O=C(C[C@H]1CCNC1=O)NC1(CCO)C[NH+](CCO)C1 ZINC001369024538 887517634 /nfs/dbraw/zinc/51/76/34/887517634.db2.gz DAMRAKNPIJTCMX-SNVBAGLBSA-N 1 2 285.344 -1.942 20 0 CAADLO CCn1nncc1C(=O)NC1(CCO)C[NH+](C[C@H](C)O)C1 ZINC001369024750 887518091 /nfs/dbraw/zinc/51/80/91/887518091.db2.gz MDCXXPHCOBNKSG-JTQLQIEISA-N 1 2 297.359 -1.155 20 0 CAADLO C[C@@H](O)C[NH+]1CC(CCO)(NC(=O)[C@@H]2CCC(=O)NC2)C1 ZINC001369020754 887518131 /nfs/dbraw/zinc/51/81/31/887518131.db2.gz LHJFZJJADPVBBG-GHMZBOCLSA-N 1 2 299.371 -1.554 20 0 CAADLO O=C(NC1(CCO)C[NH+](CCCF)C1)[C@@H]1CNC(=O)N1 ZINC001369033779 887518268 /nfs/dbraw/zinc/51/82/68/887518268.db2.gz UTMGVSJVANDDAY-VIFPVBQESA-N 1 2 288.323 -1.420 20 0 CAADLO O=C(NC1(CCO)C[NH+](CCO)C1)[C@H]1C[C@@]12CCOC2 ZINC001369037654 887518283 /nfs/dbraw/zinc/51/82/83/887518283.db2.gz JMXRHMRIOVEUSL-DGCLKSJQSA-N 1 2 284.356 -1.042 20 0 CAADLO COCC[NH+]1CC(CCO)(NC(=O)c2cn[nH]c(=O)c2)C1 ZINC001369023062 887519294 /nfs/dbraw/zinc/51/92/94/887519294.db2.gz NJNQKWJYBJHINT-UHFFFAOYSA-N 1 2 296.327 -1.005 20 0 CAADLO CNC(=O)C[NH+]1CC([C@H](C)NC(=O)CCc2nnc[nH]2)C1 ZINC001369072115 887519337 /nfs/dbraw/zinc/51/93/37/887519337.db2.gz FXRAOVGQSMKBEK-VIFPVBQESA-N 1 2 294.359 -1.080 20 0 CAADLO C[C@H](O)C[NH+]1CC(CCO)(NC(=O)[C@@H]2CCC(=O)NC2)C1 ZINC001369020757 887519609 /nfs/dbraw/zinc/51/96/09/887519609.db2.gz LHJFZJJADPVBBG-WDEREUQCSA-N 1 2 299.371 -1.554 20 0 CAADLO CCC(=O)N[C@H](C)C(=O)N[C@H](C)C1C[NH+](CC(N)=O)C1 ZINC001369070534 887519953 /nfs/dbraw/zinc/51/99/53/887519953.db2.gz DFKYFXFKSWZJPH-RKDXNWHRSA-N 1 2 284.360 -1.177 20 0 CAADLO O=C(NC1(CCO)C[NH+](CCCO)C1)[C@H]1CCC(=O)NC1 ZINC001369022182 887520076 /nfs/dbraw/zinc/52/00/76/887520076.db2.gz VHVDXHCXIPERKE-NSHDSACASA-N 1 2 299.371 -1.552 20 0 CAADLO COCC(=O)N[C@@H]1C[N@H+](CC(=O)NC(N)=O)CC1(C)C ZINC001369104476 887522093 /nfs/dbraw/zinc/52/20/93/887522093.db2.gz BXGOGDSYJBYYNK-MRVPVSSYSA-N 1 2 286.332 -1.346 20 0 CAADLO COCC(=O)N[C@@H]1C[N@@H+](CC(=O)NC(N)=O)CC1(C)C ZINC001369104476 887522103 /nfs/dbraw/zinc/52/21/03/887522103.db2.gz BXGOGDSYJBYYNK-MRVPVSSYSA-N 1 2 286.332 -1.346 20 0 CAADLO C[C@@H](NC(=O)Cc1cnn(C)c1)C1C[NH+](CC(N)=O)C1 ZINC001369072924 887522254 /nfs/dbraw/zinc/52/22/54/887522254.db2.gz REMYVRICIKDSBB-SECBINFHSA-N 1 2 279.344 -1.116 20 0 CAADLO CCNC(=O)C[NH+]1CC([C@@H](C)NC(=O)[C@H]2COC(=O)N2)C1 ZINC001369075490 887522452 /nfs/dbraw/zinc/52/24/52/887522452.db2.gz JKVUYGGDRPDNGE-PSASIEDQSA-N 1 2 298.343 -1.333 20 0 CAADLO CCNC(=O)C[NH+]1CC([C@H](C)NC(=O)[C@@H]2COC(=O)N2)C1 ZINC001369075500 887523305 /nfs/dbraw/zinc/52/33/05/887523305.db2.gz JKVUYGGDRPDNGE-WPRPVWTQSA-N 1 2 298.343 -1.333 20 0 CAADLO C[C@H](NC(=O)Cc1cnn(C)c1)C1C[NH+](CC(N)=O)C1 ZINC001369072928 887523512 /nfs/dbraw/zinc/52/35/12/887523512.db2.gz REMYVRICIKDSBB-VIFPVBQESA-N 1 2 279.344 -1.116 20 0 CAADLO Cn1cc(C[NH2+][C@H](CO)CNC(=O)c2cn[nH]c2)nn1 ZINC001369305770 887530986 /nfs/dbraw/zinc/53/09/86/887530986.db2.gz JFPMVVSUVRBJOL-JTQLQIEISA-N 1 2 279.304 -1.581 20 0 CAADLO CCCCC(=O)NC[C@@H](CO)[NH2+]Cc1nnnn1C ZINC001369306034 887531566 /nfs/dbraw/zinc/53/15/66/887531566.db2.gz FZUDUXAAJGXJLE-VIFPVBQESA-N 1 2 270.337 -1.033 20 0 CAADLO Cn1ncnc1C[NH2+][C@H](CO)CNC(=O)c1cn[nH]c1 ZINC001369310406 887532942 /nfs/dbraw/zinc/53/29/42/887532942.db2.gz RPUPITBNLURUIQ-VIFPVBQESA-N 1 2 279.304 -1.581 20 0 CAADLO O=C(NC[C@H](CO)[NH2+]Cc1nccs1)[C@H]1CCC(=O)N1 ZINC001369310077 887532969 /nfs/dbraw/zinc/53/29/69/887532969.db2.gz KVEKAJJGPCPDTC-RKDXNWHRSA-N 1 2 298.368 -1.012 20 0 CAADLO CC(C)OCC(=O)NC[C@H](CO)[NH2+]Cc1nncn1C ZINC001369306277 887533451 /nfs/dbraw/zinc/53/34/51/887533451.db2.gz BIINENOOVLAHRN-SNVBAGLBSA-N 1 2 285.348 -1.193 20 0 CAADLO Cn1ncc(C[NH2+][C@@H](CO)CNC(=O)c2ccon2)n1 ZINC001369311397 887534761 /nfs/dbraw/zinc/53/47/61/887534761.db2.gz UOSRAQUPSPEPJQ-SECBINFHSA-N 1 2 280.288 -1.316 20 0 CAADLO Cn1[nH]c(C[NH2+][C@@H](CO)CNC(=O)[C@@H]2CCOC2)nc1=O ZINC001369311183 887534910 /nfs/dbraw/zinc/53/49/10/887534910.db2.gz LVELNMPSHRDTOD-RKDXNWHRSA-N 1 2 299.331 -2.288 20 0 CAADLO Cn1[nH]c(C[NH2+][C@H](CO)CNC(=O)[C@@H]2CCOC2)nc1=O ZINC001369311144 887535078 /nfs/dbraw/zinc/53/50/78/887535078.db2.gz LVELNMPSHRDTOD-BDAKNGLRSA-N 1 2 299.331 -2.288 20 0 CAADLO CO[C@H](C)C(=O)NC[C@H](CO)[NH2+]Cc1cnn(C)n1 ZINC001369312117 887536628 /nfs/dbraw/zinc/53/66/28/887536628.db2.gz VITVRDFEFKBVDF-PSASIEDQSA-N 1 2 271.321 -1.583 20 0 CAADLO CCOCC(=O)NC[C@H](CO)[NH2+]Cc1cnn(C)n1 ZINC001369316883 887537168 /nfs/dbraw/zinc/53/71/68/887537168.db2.gz YAZOICHTDPKLPX-SNVBAGLBSA-N 1 2 271.321 -1.582 20 0 CAADLO CC[C@H](OC)C(=O)NC[C@H](CO)[NH2+]Cc1nncn1C ZINC001369314641 887536993 /nfs/dbraw/zinc/53/69/93/887536993.db2.gz SMTMPCJVJBHPRE-ZJUUUORDSA-N 1 2 285.348 -1.193 20 0 CAADLO CO[C@@H](C)C(=O)NC[C@H](CO)[NH2+]Cc1cnn(C)n1 ZINC001369312120 887537052 /nfs/dbraw/zinc/53/70/52/887537052.db2.gz VITVRDFEFKBVDF-WCBMZHEXSA-N 1 2 271.321 -1.583 20 0 CAADLO Cn1cnnc1C[NH2+][C@H](CO)CNC(=O)C[C@H]1CCOC1 ZINC001369320399 887538908 /nfs/dbraw/zinc/53/89/08/887538908.db2.gz OJFJGXYMHSXTPL-MNOVXSKESA-N 1 2 297.359 -1.192 20 0 CAADLO Cc1nnc(C[NH2+][C@@H](CO)CNC(=O)c2cn(C)cn2)[nH]1 ZINC001369320888 887540144 /nfs/dbraw/zinc/54/01/44/887540144.db2.gz IYJIRYRQFFUTIT-SECBINFHSA-N 1 2 293.331 -1.273 20 0 CAADLO Cn1cnnc1C[NH2+][C@H](CO)CNC(=O)c1cncnc1 ZINC001369325348 887542756 /nfs/dbraw/zinc/54/27/56/887542756.db2.gz OYJWHIWSFHKUBQ-JTQLQIEISA-N 1 2 291.315 -1.514 20 0 CAADLO NC(=O)C[NH2+][C@@H](CO)CNC(=O)C(F)C(F)(F)F ZINC001369330880 887542856 /nfs/dbraw/zinc/54/28/56/887542856.db2.gz YFLUEIXDCICVGK-INEUFUBQSA-N 1 2 275.202 -1.561 20 0 CAADLO NC(=O)C[NH2+][C@@H](CO)CNC(=O)[C@@H](F)C(F)(F)F ZINC001369330880 887542865 /nfs/dbraw/zinc/54/28/65/887542865.db2.gz YFLUEIXDCICVGK-INEUFUBQSA-N 1 2 275.202 -1.561 20 0 CAADLO Cn1ncc(C[NH2+][C@@H](CO)CNC(=O)c2cnnn2C)n1 ZINC001369324909 887543407 /nfs/dbraw/zinc/54/34/07/887543407.db2.gz VKKKIKBOQFIWIK-SECBINFHSA-N 1 2 294.319 -2.176 20 0 CAADLO Cc1nc(C[NH2+][C@@H](CO)CNC(=O)[C@@H]2CNC(=O)N2)co1 ZINC001369335634 887545931 /nfs/dbraw/zinc/54/59/31/887545931.db2.gz IWZQNMIVBQOXMW-SCZZXKLOSA-N 1 2 297.315 -1.769 20 0 CAADLO Cc1n[nH]cc1C(=O)NC[C@@H](CO)[NH2+]Cc1nncn1C ZINC001369340552 887546309 /nfs/dbraw/zinc/54/63/09/887546309.db2.gz WWGPZIDUDZISGX-VIFPVBQESA-N 1 2 293.331 -1.273 20 0 CAADLO COCC1(C(=O)NC[C@H](CO)[NH2+]Cc2nnnn2C)CC1 ZINC001369335275 887547147 /nfs/dbraw/zinc/54/71/47/887547147.db2.gz FMTSOZFIOUIDDB-SECBINFHSA-N 1 2 298.347 -1.797 20 0 CAADLO Cc1cc(C[NH2+][C@@H](CO)CNC(=O)[C@H]2CNC(=O)N2)no1 ZINC001369339732 887547806 /nfs/dbraw/zinc/54/78/06/887547806.db2.gz QJNZYAORGROXLB-NXEZZACHSA-N 1 2 297.315 -1.769 20 0 CAADLO Cc1n[nH]cc1C(=O)NC[C@H](CO)[NH2+]Cc1nncn1C ZINC001369340550 887547879 /nfs/dbraw/zinc/54/78/79/887547879.db2.gz WWGPZIDUDZISGX-SECBINFHSA-N 1 2 293.331 -1.273 20 0 CAADLO Cc1cc(C[NH2+][C@@H](CO)CNC(=O)[C@@H]2CNC(=O)N2)no1 ZINC001369339753 887547961 /nfs/dbraw/zinc/54/79/61/887547961.db2.gz QJNZYAORGROXLB-ZJUUUORDSA-N 1 2 297.315 -1.769 20 0 CAADLO Cc1cocc1C(=O)NC[C@H](CO)[NH2+]Cc1nnnn1C ZINC001369349508 887550015 /nfs/dbraw/zinc/55/00/15/887550015.db2.gz FEJWQLSNXPRJLO-SECBINFHSA-N 1 2 294.315 -1.008 20 0 CAADLO Cn1[nH]c(C[NH2+][C@H](CO)CNC(=O)CCCF)nc1=O ZINC001369349310 887550417 /nfs/dbraw/zinc/55/04/17/887550417.db2.gz DTQMJEDGTAMICS-QMMMGPOBSA-N 1 2 289.311 -1.575 20 0 CAADLO C[C@H]([NH2+][C@@H](CO)CNC(=O)c1cn[nH]n1)c1nncn1C ZINC001369349047 887550784 /nfs/dbraw/zinc/55/07/84/887550784.db2.gz RGBCGSGMYHCEPM-JGVFFNPUSA-N 1 2 294.319 -1.625 20 0 CAADLO CN1C[C@@H](C(=O)NC[C@H](CO)[NH2+]Cc2ccon2)CC1=O ZINC001369350640 887554490 /nfs/dbraw/zinc/55/44/90/887554490.db2.gz YNFRQEOFJOVUIT-GXSJLCMTSA-N 1 2 296.327 -1.280 20 0 CAADLO CNC(=O)NCC(=O)NC[C@H](CO)[NH2+]Cc1cn(C)nn1 ZINC001369351118 887555127 /nfs/dbraw/zinc/55/51/27/887555127.db2.gz ZYGWGONCLKPNOZ-SECBINFHSA-N 1 2 299.335 -2.689 20 0 CAADLO Cc1cnoc1C(=O)NC[C@H](CO)[NH2+]Cc1cnn(C)n1 ZINC001369363784 887556651 /nfs/dbraw/zinc/55/66/51/887556651.db2.gz FFVCCJJIDCCBLJ-SNVBAGLBSA-N 1 2 294.315 -1.008 20 0 CAADLO CC[C@@H]1C[C@H]1C(=O)NC[C@@H](CO)[NH2+]Cc1nnnn1C ZINC001369365145 887556917 /nfs/dbraw/zinc/55/69/17/887556917.db2.gz PBISGDSRWRUNQC-KXUCPTDWSA-N 1 2 282.348 -1.177 20 0 CAADLO C[C@@H]([NH2+][C@H](CO)CNC(=O)c1cnon1)c1nncn1C ZINC001369366207 887558626 /nfs/dbraw/zinc/55/86/26/887558626.db2.gz SYZIYFBIYXUMLI-SFYZADRCSA-N 1 2 295.303 -1.360 20 0 CAADLO CC(C)[C@@H](C)C(=O)NC[C@H](CO)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001369365858 887558822 /nfs/dbraw/zinc/55/88/22/887558822.db2.gz SHLQYXIFLZWDOU-NXEZZACHSA-N 1 2 299.375 -1.033 20 0 CAADLO Cc1nonc1C[NH2+][C@H](CO)CNC(=O)[C@@H]1CCC(=O)N1 ZINC001369380289 887560800 /nfs/dbraw/zinc/56/08/00/887560800.db2.gz LSNYDKLFOKKYKR-IUCAKERBSA-N 1 2 297.315 -1.777 20 0 CAADLO Cn1cc(C[NH2+][C@@H](CO)CNC(=O)[C@@]2(C)CCOC2)nn1 ZINC001369378531 887561006 /nfs/dbraw/zinc/56/10/06/887561006.db2.gz ZADWLLUDJIBHFL-YPMHNXCESA-N 1 2 297.359 -1.192 20 0 CAADLO Cc1cc(C[NH2+][C@@H](CO)CNC(=O)Cc2nc[nH]n2)on1 ZINC001369381615 887561212 /nfs/dbraw/zinc/56/12/12/887561212.db2.gz QLFSFYXJAWOIGA-SECBINFHSA-N 1 2 294.315 -1.089 20 0 CAADLO Cn1c[nH+]cc1CC(=O)NC[C@@H](CO)NCc1cnon1 ZINC001369378729 887561351 /nfs/dbraw/zinc/56/13/51/887561351.db2.gz IQSBBTBHRAKGCU-JTQLQIEISA-N 1 2 294.315 -1.388 20 0 CAADLO Cc1nc[nH]c1C(=O)NC[C@@H](CO)[NH2+]Cc1nnnn1C ZINC001369384811 887566192 /nfs/dbraw/zinc/56/61/92/887566192.db2.gz ILZQQFFYFDRRAL-QMMMGPOBSA-N 1 2 294.319 -1.878 20 0 CAADLO CC(=O)N(C)C[C@@H](O)C[NH2+]Cc1cc(=O)n2[nH]ccc2n1 ZINC001369447391 887569385 /nfs/dbraw/zinc/56/93/85/887569385.db2.gz ZAMRATZGYYCBLN-NSHDSACASA-N 1 2 293.327 -1.049 20 0 CAADLO CN(C[C@@H](O)C[N@H+](C)CCO)C(=O)Cc1ncn[nH]1 ZINC001369509220 887584746 /nfs/dbraw/zinc/58/47/46/887584746.db2.gz BXPWWDNTYKNKID-VIFPVBQESA-N 1 2 271.321 -1.909 20 0 CAADLO CN(C[C@@H](O)C[N@@H+](C)CCO)C(=O)Cc1ncn[nH]1 ZINC001369509220 887584756 /nfs/dbraw/zinc/58/47/56/887584756.db2.gz BXPWWDNTYKNKID-VIFPVBQESA-N 1 2 271.321 -1.909 20 0 CAADLO CN(C)C(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)c1ccn[nH]1 ZINC001369495157 887585196 /nfs/dbraw/zinc/58/51/96/887585196.db2.gz KHHQXHUMHGPZFV-JTQLQIEISA-N 1 2 297.359 -1.137 20 0 CAADLO CN(C)C(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)c1ccn[nH]1 ZINC001369495157 887585210 /nfs/dbraw/zinc/58/52/10/887585210.db2.gz KHHQXHUMHGPZFV-JTQLQIEISA-N 1 2 297.359 -1.137 20 0 CAADLO COCC[N@H+](CCNC(=O)C1=CCOCC1)CC(N)=O ZINC001369553314 887586401 /nfs/dbraw/zinc/58/64/01/887586401.db2.gz XXWWQHGJIGLQRH-UHFFFAOYSA-N 1 2 285.344 -1.117 20 0 CAADLO COCC[N@@H+](CCNC(=O)C1=CCOCC1)CC(N)=O ZINC001369553314 887586410 /nfs/dbraw/zinc/58/64/10/887586410.db2.gz XXWWQHGJIGLQRH-UHFFFAOYSA-N 1 2 285.344 -1.117 20 0 CAADLO COCC[N@H+](CCF)CCNC(=O)[C@@H]1CNC(=O)N1 ZINC001369563782 887586735 /nfs/dbraw/zinc/58/67/35/887586735.db2.gz SGBDEQDUBOKXDH-VIFPVBQESA-N 1 2 276.312 -1.298 20 0 CAADLO COCC[N@@H+](CCF)CCNC(=O)[C@@H]1CNC(=O)N1 ZINC001369563782 887586745 /nfs/dbraw/zinc/58/67/45/887586745.db2.gz SGBDEQDUBOKXDH-VIFPVBQESA-N 1 2 276.312 -1.298 20 0 CAADLO COCC[N@H+](CCNC(=O)C(C)C)CC(=O)NC(N)=O ZINC001369555836 887588131 /nfs/dbraw/zinc/58/81/31/887588131.db2.gz UWRCLXXIZPENCS-UHFFFAOYSA-N 1 2 288.348 -1.098 20 0 CAADLO COCC[N@@H+](CCNC(=O)C(C)C)CC(=O)NC(N)=O ZINC001369555836 887588141 /nfs/dbraw/zinc/58/81/41/887588141.db2.gz UWRCLXXIZPENCS-UHFFFAOYSA-N 1 2 288.348 -1.098 20 0 CAADLO CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)CNC(=O)NC)C1 ZINC001369816000 887589897 /nfs/dbraw/zinc/58/98/97/887589897.db2.gz HKFUZVSKBKFHHL-JTQLQIEISA-N 1 2 299.375 -1.368 20 0 CAADLO CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)CNC(=O)NC)C1 ZINC001369816000 887589907 /nfs/dbraw/zinc/58/99/07/887589907.db2.gz HKFUZVSKBKFHHL-JTQLQIEISA-N 1 2 299.375 -1.368 20 0 CAADLO CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCC(=O)N2)C1 ZINC001369797008 887590153 /nfs/dbraw/zinc/59/01/53/887590153.db2.gz JBSGFLPDKYJBAO-WDEREUQCSA-N 1 2 296.371 -1.018 20 0 CAADLO CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)[C@H]2CCC(=O)N2)C1 ZINC001369797008 887590164 /nfs/dbraw/zinc/59/01/64/887590164.db2.gz JBSGFLPDKYJBAO-WDEREUQCSA-N 1 2 296.371 -1.018 20 0 CAADLO CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001369845089 887590285 /nfs/dbraw/zinc/59/02/85/887590285.db2.gz JBSGFLPDKYJBAO-QWRGUYRKSA-N 1 2 296.371 -1.018 20 0 CAADLO CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001369845089 887590297 /nfs/dbraw/zinc/59/02/97/887590297.db2.gz JBSGFLPDKYJBAO-QWRGUYRKSA-N 1 2 296.371 -1.018 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@@H](NC(=O)CCn2ccnn2)C1 ZINC001369806264 887591372 /nfs/dbraw/zinc/59/13/72/887591372.db2.gz WLPLKKLEUCVVEQ-SNVBAGLBSA-N 1 2 280.332 -1.266 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@@H](NC(=O)CCn2ccnn2)C1 ZINC001369806264 887591379 /nfs/dbraw/zinc/59/13/79/887591379.db2.gz WLPLKKLEUCVVEQ-SNVBAGLBSA-N 1 2 280.332 -1.266 20 0 CAADLO CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001369845082 887592085 /nfs/dbraw/zinc/59/20/85/887592085.db2.gz JBSGFLPDKYJBAO-MNOVXSKESA-N 1 2 296.371 -1.018 20 0 CAADLO CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001369845082 887592098 /nfs/dbraw/zinc/59/20/98/887592098.db2.gz JBSGFLPDKYJBAO-MNOVXSKESA-N 1 2 296.371 -1.018 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@@H](NC(=O)CCc2nnc[nH]2)C1 ZINC001369793383 887592385 /nfs/dbraw/zinc/59/23/85/887592385.db2.gz CNAZLBLCDCIUTA-SECBINFHSA-N 1 2 280.332 -1.197 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@@H](NC(=O)CCc2nnc[nH]2)C1 ZINC001369793383 887592398 /nfs/dbraw/zinc/59/23/98/887592398.db2.gz CNAZLBLCDCIUTA-SECBINFHSA-N 1 2 280.332 -1.197 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@H](NC(=O)CCn2ccnn2)C1 ZINC001369806260 887592497 /nfs/dbraw/zinc/59/24/97/887592497.db2.gz WLPLKKLEUCVVEQ-JTQLQIEISA-N 1 2 280.332 -1.266 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@H](NC(=O)CCn2ccnn2)C1 ZINC001369806260 887592511 /nfs/dbraw/zinc/59/25/11/887592511.db2.gz WLPLKKLEUCVVEQ-JTQLQIEISA-N 1 2 280.332 -1.266 20 0 CAADLO CC[C@H](C(N)=O)[NH+]1CCN(CCNC(=O)COC)CC1 ZINC001369866649 887592828 /nfs/dbraw/zinc/59/28/28/887592828.db2.gz GQPBASQVODSNJM-LLVKDONJSA-N 1 2 286.376 -1.370 20 0 CAADLO CNC(=O)NCCC(=O)N[C@H]1CCC[N@H+](CC(N)=O)C1 ZINC001369818445 887592852 /nfs/dbraw/zinc/59/28/52/887592852.db2.gz OAAMERTULZCMEM-VIFPVBQESA-N 1 2 285.348 -1.629 20 0 CAADLO CNC(=O)NCCC(=O)N[C@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001369818445 887592862 /nfs/dbraw/zinc/59/28/62/887592862.db2.gz OAAMERTULZCMEM-VIFPVBQESA-N 1 2 285.348 -1.629 20 0 CAADLO CCCC(=O)N[C@@H]1CC[N@H+](CC(=O)N2CCNC(=O)C2)C1 ZINC001369933006 887593882 /nfs/dbraw/zinc/59/38/82/887593882.db2.gz DOWVANREGRXPJW-LLVKDONJSA-N 1 2 296.371 -1.065 20 0 CAADLO CCCC(=O)N[C@@H]1CC[N@@H+](CC(=O)N2CCNC(=O)C2)C1 ZINC001369933006 887593886 /nfs/dbraw/zinc/59/38/86/887593886.db2.gz DOWVANREGRXPJW-LLVKDONJSA-N 1 2 296.371 -1.065 20 0 CAADLO NC(=O)NC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ccn[nH]2)C1 ZINC001369960465 887594371 /nfs/dbraw/zinc/59/43/71/887594371.db2.gz UJBRBAZOYYWWIZ-SSDOTTSWSA-N 1 2 280.288 -1.591 20 0 CAADLO NC(=O)NC(=O)C[N@H+]1CC[C@@H](NC(=O)c2ccn[nH]2)C1 ZINC001369960465 887594373 /nfs/dbraw/zinc/59/43/73/887594373.db2.gz UJBRBAZOYYWWIZ-SSDOTTSWSA-N 1 2 280.288 -1.591 20 0 CAADLO CNC(=O)NC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCOC2)C1 ZINC001369970396 887594582 /nfs/dbraw/zinc/59/45/82/887594582.db2.gz ZQDKSVJQXXYSIN-ZJUUUORDSA-N 1 2 298.343 -1.331 20 0 CAADLO CNC(=O)NC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCOC2)C1 ZINC001369970396 887594590 /nfs/dbraw/zinc/59/45/90/887594590.db2.gz ZQDKSVJQXXYSIN-ZJUUUORDSA-N 1 2 298.343 -1.331 20 0 CAADLO CNC(=O)NC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCOC2)C1 ZINC001369970395 887595059 /nfs/dbraw/zinc/59/50/59/887595059.db2.gz ZQDKSVJQXXYSIN-VHSXEESVSA-N 1 2 298.343 -1.331 20 0 CAADLO CNC(=O)NC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CCOC2)C1 ZINC001369970395 887595073 /nfs/dbraw/zinc/59/50/73/887595073.db2.gz ZQDKSVJQXXYSIN-VHSXEESVSA-N 1 2 298.343 -1.331 20 0 CAADLO NC(=O)NC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCOC2)C1 ZINC001369966874 887595734 /nfs/dbraw/zinc/59/57/34/887595734.db2.gz ONHMBYJXSDWTNY-VHSXEESVSA-N 1 2 298.343 -1.202 20 0 CAADLO NC(=O)NC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CCCOC2)C1 ZINC001369966874 887595749 /nfs/dbraw/zinc/59/57/49/887595749.db2.gz ONHMBYJXSDWTNY-VHSXEESVSA-N 1 2 298.343 -1.202 20 0 CAADLO CNC(=O)NC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCOC2)C1 ZINC001369970393 887596304 /nfs/dbraw/zinc/59/63/04/887596304.db2.gz ZQDKSVJQXXYSIN-NXEZZACHSA-N 1 2 298.343 -1.331 20 0 CAADLO CNC(=O)NC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCOC2)C1 ZINC001369970393 887596310 /nfs/dbraw/zinc/59/63/10/887596310.db2.gz ZQDKSVJQXXYSIN-NXEZZACHSA-N 1 2 298.343 -1.331 20 0 CAADLO CCS(=O)(=O)NCC[N@@H+]1CC[C@H](NC(=O)COC)C1 ZINC001369944122 887596674 /nfs/dbraw/zinc/59/66/74/887596674.db2.gz XOYKNCQUYQMQDO-JTQLQIEISA-N 1 2 293.389 -1.237 20 0 CAADLO CCS(=O)(=O)NCC[N@H+]1CC[C@H](NC(=O)COC)C1 ZINC001369944122 887596680 /nfs/dbraw/zinc/59/66/80/887596680.db2.gz XOYKNCQUYQMQDO-JTQLQIEISA-N 1 2 293.389 -1.237 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)CNC(=O)N2CCCC2)C1 ZINC001369988470 887597757 /nfs/dbraw/zinc/59/77/57/887597757.db2.gz SCNWVNSVAHHKCW-SNVBAGLBSA-N 1 2 297.359 -1.532 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)CNC(=O)N2CCCC2)C1 ZINC001369988470 887597761 /nfs/dbraw/zinc/59/77/61/887597761.db2.gz SCNWVNSVAHHKCW-SNVBAGLBSA-N 1 2 297.359 -1.532 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)CCCn2cncn2)C1 ZINC001370030270 887598070 /nfs/dbraw/zinc/59/80/70/887598070.db2.gz DIBJRPVCBHTYGG-SNVBAGLBSA-N 1 2 280.332 -1.266 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)CCCn2cncn2)C1 ZINC001370030270 887598075 /nfs/dbraw/zinc/59/80/75/887598075.db2.gz DIBJRPVCBHTYGG-SNVBAGLBSA-N 1 2 280.332 -1.266 20 0 CAADLO CCN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)c2nnn(C)n2)C1 ZINC001370002227 887598174 /nfs/dbraw/zinc/59/81/74/887598174.db2.gz DUJJIRXSHWIMPN-SECBINFHSA-N 1 2 295.347 -1.508 20 0 CAADLO CCN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)c2nnn(C)n2)C1 ZINC001370002227 887598182 /nfs/dbraw/zinc/59/81/82/887598182.db2.gz DUJJIRXSHWIMPN-SECBINFHSA-N 1 2 295.347 -1.508 20 0 CAADLO CCCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001370019670 887599736 /nfs/dbraw/zinc/59/97/36/887599736.db2.gz QOXBEGQDPVBXBM-AXFHLTTASA-N 1 2 296.371 -1.176 20 0 CAADLO CCCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001370019670 887599746 /nfs/dbraw/zinc/59/97/46/887599746.db2.gz QOXBEGQDPVBXBM-AXFHLTTASA-N 1 2 296.371 -1.176 20 0 CAADLO CC(=O)NC(C)(C)C(=O)N[C@@H]1CC[N@@H+]([C@@H](C)C(N)=O)C1 ZINC001370029104 887600271 /nfs/dbraw/zinc/60/02/71/887600271.db2.gz HLFSAUVEVFNFHR-WCBMZHEXSA-N 1 2 284.360 -1.035 20 0 CAADLO CC(=O)NC(C)(C)C(=O)N[C@@H]1CC[N@H+]([C@@H](C)C(N)=O)C1 ZINC001370029104 887600277 /nfs/dbraw/zinc/60/02/77/887600277.db2.gz HLFSAUVEVFNFHR-WCBMZHEXSA-N 1 2 284.360 -1.035 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)CCCn2cncn2)C1 ZINC001370030269 887600652 /nfs/dbraw/zinc/60/06/52/887600652.db2.gz DIBJRPVCBHTYGG-JTQLQIEISA-N 1 2 280.332 -1.266 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)CCCn2cncn2)C1 ZINC001370030269 887600656 /nfs/dbraw/zinc/60/06/56/887600656.db2.gz DIBJRPVCBHTYGG-JTQLQIEISA-N 1 2 280.332 -1.266 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CO[C@@H]2CCOC2)C1 ZINC001369979920 887600767 /nfs/dbraw/zinc/60/07/67/887600767.db2.gz AXDPFYLZGNFRBI-GHMZBOCLSA-N 1 2 285.344 -1.272 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)CO[C@@H]2CCOC2)C1 ZINC001369979920 887600773 /nfs/dbraw/zinc/60/07/73/887600773.db2.gz AXDPFYLZGNFRBI-GHMZBOCLSA-N 1 2 285.344 -1.272 20 0 CAADLO O=C(Cn1cc[nH+]c1)N[C@@H](CO)CNC(=O)[C@H]1CCCO1 ZINC001370648990 887621530 /nfs/dbraw/zinc/62/15/30/887621530.db2.gz QZOCCCQBNMYYTN-GHMZBOCLSA-N 1 2 296.327 -1.345 20 0 CAADLO CC[C@H](OC)C(=O)N[C@H](CO)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001370795795 887635108 /nfs/dbraw/zinc/63/51/08/887635108.db2.gz CDAUOJBUHKLAGI-QWRGUYRKSA-N 1 2 298.343 -1.030 20 0 CAADLO O=C(Cc1[nH]cc[nH+]1)NC[C@H](CO)NC(=O)c1ncc[nH]1 ZINC001370779131 887636887 /nfs/dbraw/zinc/63/68/87/887636887.db2.gz ZJBJETXAPHFYNA-MRVPVSSYSA-N 1 2 292.299 -1.418 20 0 CAADLO COCCC(=O)N[C@H](CO)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001370769892 887637178 /nfs/dbraw/zinc/63/71/78/887637178.db2.gz DLGZOLOLWSQAIW-VIFPVBQESA-N 1 2 284.316 -1.418 20 0 CAADLO COCC(=O)NC[C@@H](O)CN(C)C(=O)Cn1cc[nH+]c1 ZINC001371006496 887645308 /nfs/dbraw/zinc/64/53/08/887645308.db2.gz WZAOXOQVIHCQRC-SNVBAGLBSA-N 1 2 284.316 -1.535 20 0 CAADLO COCC(=O)NC[C@H](O)CN(C)C(=O)Cc1[nH]c[nH+]c1C ZINC001371016528 887646163 /nfs/dbraw/zinc/64/61/63/887646163.db2.gz CCYBRXQOGJNMPX-JTQLQIEISA-N 1 2 298.343 -1.157 20 0 CAADLO C[C@H](CNC(=O)C1=COCCO1)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001371101730 887647564 /nfs/dbraw/zinc/64/75/64/887647564.db2.gz NPKDREAPZMDBEZ-MRVPVSSYSA-N 1 2 297.315 -1.409 20 0 CAADLO CNC(=O)Cc1noc(C[NH2+][C@H](C)CNC(=O)COC)n1 ZINC001371085448 887647675 /nfs/dbraw/zinc/64/76/75/887647675.db2.gz HORACYYXZIROPA-MRVPVSSYSA-N 1 2 299.331 -1.401 20 0 CAADLO C[C@H](CNC(=O)CN1CCOCC1=O)[NH2+]Cc1cnon1 ZINC001371213836 887650699 /nfs/dbraw/zinc/65/06/99/887650699.db2.gz RMTCWLGHLDFJHU-SECBINFHSA-N 1 2 297.315 -1.477 20 0 CAADLO CNC(=O)NCCC(=O)NC[C@H](C)[NH2+]Cc1cnon1 ZINC001371168223 887652189 /nfs/dbraw/zinc/65/21/89/887652189.db2.gz CQFIUJVZLFQRLZ-QMMMGPOBSA-N 1 2 284.320 -1.017 20 0 CAADLO C[C@@H](CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1)[NH2+]Cc1cnon1 ZINC001371345234 887654504 /nfs/dbraw/zinc/65/45/04/887654504.db2.gz VIHCNMZRTKXWMN-UJNFCWOMSA-N 1 2 297.315 -1.303 20 0 CAADLO Cc1nnc(C[NH2+][C@H](C)CNC(=O)[C@@H]2CNC(=O)N2)o1 ZINC001371341349 887655659 /nfs/dbraw/zinc/65/56/59/887655659.db2.gz FRNGLTALUQLZRE-SVRRBLITSA-N 1 2 282.304 -1.346 20 0 CAADLO Cc1nnc(C[NH2+][C@@H](C)CNC(=O)[C@@H]2CNC(=O)N2)o1 ZINC001371341351 887656151 /nfs/dbraw/zinc/65/61/51/887656151.db2.gz FRNGLTALUQLZRE-XPUUQOCRSA-N 1 2 282.304 -1.346 20 0 CAADLO C[C@H](CNC(=O)[C@@H]1CC(=O)NC(=O)N1)[NH2+]Cc1cnon1 ZINC001371366431 887656290 /nfs/dbraw/zinc/65/62/90/887656290.db2.gz UONMMLGRQKBFEM-SVRRBLITSA-N 1 2 296.287 -1.738 20 0 CAADLO C[C@H](CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1)[NH2+]Cc1cnon1 ZINC001371345230 887656431 /nfs/dbraw/zinc/65/64/31/887656431.db2.gz VIHCNMZRTKXWMN-FKTZTGRPSA-N 1 2 297.315 -1.303 20 0 CAADLO C[C@@H](CNC(=O)Cn1ccnc1)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001371487670 887661074 /nfs/dbraw/zinc/66/10/74/887661074.db2.gz OJHOKHMVSPGURC-VIFPVBQESA-N 1 2 293.331 -1.401 20 0 CAADLO C[C@H]([NH2+]C[C@H]1CCN(C(=O)Cc2ncn[nH]2)C1)C(N)=O ZINC001371636055 887670886 /nfs/dbraw/zinc/67/08/86/887670886.db2.gz QDEWNVPOISWVHS-DTWKUNHWSA-N 1 2 280.332 -1.341 20 0 CAADLO CCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)Cc2ncn[nH]2)C1 ZINC001371631245 887671099 /nfs/dbraw/zinc/67/10/99/887671099.db2.gz LIRNFASDRWSKNM-SNVBAGLBSA-N 1 2 294.359 -1.079 20 0 CAADLO C[C@@H]([NH2+]C[C@@H]1CCN(C(=O)Cc2ncn[nH]2)C1)C(N)=O ZINC001371636050 887671778 /nfs/dbraw/zinc/67/17/78/887671778.db2.gz QDEWNVPOISWVHS-BDAKNGLRSA-N 1 2 280.332 -1.341 20 0 CAADLO CCNC(=O)C[N@H+](C)CCNC(=O)[C@H](C)NC(C)=O ZINC001371913341 887674404 /nfs/dbraw/zinc/67/44/04/887674404.db2.gz TXOSQMLYEAHIOM-VIFPVBQESA-N 1 2 272.349 -1.305 20 0 CAADLO CCNC(=O)C[N@@H+](C)CCNC(=O)[C@H](C)NC(C)=O ZINC001371913341 887674419 /nfs/dbraw/zinc/67/44/19/887674419.db2.gz TXOSQMLYEAHIOM-VIFPVBQESA-N 1 2 272.349 -1.305 20 0 CAADLO C[N@H+](CCNC(=O)Cn1cnnn1)CC(=O)NC(C)(C)C ZINC001371909630 887675340 /nfs/dbraw/zinc/67/53/40/887675340.db2.gz GFZBZAFTSYUGEC-UHFFFAOYSA-N 1 2 297.363 -1.364 20 0 CAADLO C[N@@H+](CCNC(=O)Cn1cnnn1)CC(=O)NC(C)(C)C ZINC001371909630 887675346 /nfs/dbraw/zinc/67/53/46/887675346.db2.gz GFZBZAFTSYUGEC-UHFFFAOYSA-N 1 2 297.363 -1.364 20 0 CAADLO CCCC(=O)NCC[N@H+](C)CC(=O)N1CCNC(=O)C1 ZINC001371894412 887675357 /nfs/dbraw/zinc/67/53/57/887675357.db2.gz HJJLOURDGNCYKZ-UHFFFAOYSA-N 1 2 284.360 -1.207 20 0 CAADLO CCCC(=O)NCC[N@@H+](C)CC(=O)N1CCNC(=O)C1 ZINC001371894412 887675359 /nfs/dbraw/zinc/67/53/59/887675359.db2.gz HJJLOURDGNCYKZ-UHFFFAOYSA-N 1 2 284.360 -1.207 20 0 CAADLO CNC(=O)C[N@H+](C)CCNC(=O)c1ccc2n[nH]nc2n1 ZINC001371988784 887677496 /nfs/dbraw/zinc/67/74/96/887677496.db2.gz HLWNPVJFSLUQMB-UHFFFAOYSA-N 1 2 291.315 -1.240 20 0 CAADLO CNC(=O)C[N@@H+](C)CCNC(=O)c1ccc2n[nH]nc2n1 ZINC001371988784 887677502 /nfs/dbraw/zinc/67/75/02/887677502.db2.gz HLWNPVJFSLUQMB-UHFFFAOYSA-N 1 2 291.315 -1.240 20 0 CAADLO CCNC(=O)C[N@H+](C)CCNC(=O)[C@@H]1CCNC(=O)C1 ZINC001371946240 887677729 /nfs/dbraw/zinc/67/77/29/887677729.db2.gz OZGOAHVMPSZTLN-SNVBAGLBSA-N 1 2 284.360 -1.303 20 0 CAADLO CCNC(=O)C[N@@H+](C)CCNC(=O)[C@@H]1CCNC(=O)C1 ZINC001371946240 887677732 /nfs/dbraw/zinc/67/77/32/887677732.db2.gz OZGOAHVMPSZTLN-SNVBAGLBSA-N 1 2 284.360 -1.303 20 0 CAADLO Cn1[nH]c(C[N@H+](C)CCNC(=O)c2cn[nH]c2)nc1=O ZINC001371923452 887677748 /nfs/dbraw/zinc/67/77/48/887677748.db2.gz NTPKMICXUOGUKC-UHFFFAOYSA-N 1 2 279.304 -1.307 20 0 CAADLO Cn1[nH]c(C[N@@H+](C)CCNC(=O)c2cn[nH]c2)nc1=O ZINC001371923452 887677752 /nfs/dbraw/zinc/67/77/52/887677752.db2.gz NTPKMICXUOGUKC-UHFFFAOYSA-N 1 2 279.304 -1.307 20 0 CAADLO CCNC(=O)C[N@H+](C)CCNC(=O)[C@H]1C[C@@H]1C(=O)OC ZINC001371926476 887678856 /nfs/dbraw/zinc/67/88/56/887678856.db2.gz GEACICXJXHACKC-UWVGGRQHSA-N 1 2 285.344 -1.020 20 0 CAADLO CCNC(=O)C[N@@H+](C)CCNC(=O)[C@H]1C[C@@H]1C(=O)OC ZINC001371926476 887678865 /nfs/dbraw/zinc/67/88/65/887678865.db2.gz GEACICXJXHACKC-UWVGGRQHSA-N 1 2 285.344 -1.020 20 0 CAADLO CCNC(=O)C[N@H+](C)CCNC(=O)[C@H]1CC[C@H]1C(N)=O ZINC001372057503 887681496 /nfs/dbraw/zinc/68/14/96/887681496.db2.gz DOFVAJGVJRUQTG-ZJUUUORDSA-N 1 2 284.360 -1.318 20 0 CAADLO CCNC(=O)C[N@@H+](C)CCNC(=O)[C@H]1CC[C@H]1C(N)=O ZINC001372057503 887681503 /nfs/dbraw/zinc/68/15/03/887681503.db2.gz DOFVAJGVJRUQTG-ZJUUUORDSA-N 1 2 284.360 -1.318 20 0 CAADLO CCNC(=O)C[N@H+](C)CCNC(=O)[C@H]1CC[C@@H]1C(N)=O ZINC001372057498 887681710 /nfs/dbraw/zinc/68/17/10/887681710.db2.gz DOFVAJGVJRUQTG-UWVGGRQHSA-N 1 2 284.360 -1.318 20 0 CAADLO CCNC(=O)C[N@@H+](C)CCNC(=O)[C@H]1CC[C@@H]1C(N)=O ZINC001372057498 887681717 /nfs/dbraw/zinc/68/17/17/887681717.db2.gz DOFVAJGVJRUQTG-UWVGGRQHSA-N 1 2 284.360 -1.318 20 0 CAADLO COc1c(C(=O)NCC[N@H+](C)CC(N)=O)c(C)nn1C ZINC001372131332 887685496 /nfs/dbraw/zinc/68/54/96/887685496.db2.gz SJKPBCJJAIECRO-UHFFFAOYSA-N 1 2 283.332 -1.116 20 0 CAADLO COc1c(C(=O)NCC[N@@H+](C)CC(N)=O)c(C)nn1C ZINC001372131332 887685503 /nfs/dbraw/zinc/68/55/03/887685503.db2.gz SJKPBCJJAIECRO-UHFFFAOYSA-N 1 2 283.332 -1.116 20 0 CAADLO C[N@H+](CCNC(=O)c1ccc2[nH]c(=O)[nH]c2n1)CC(N)=O ZINC001372098562 887685614 /nfs/dbraw/zinc/68/56/14/887685614.db2.gz WJQMCTHHOGKOOK-UHFFFAOYSA-N 1 2 292.299 -1.190 20 0 CAADLO C[N@@H+](CCNC(=O)c1ccc2[nH]c(=O)[nH]c2n1)CC(N)=O ZINC001372098562 887685624 /nfs/dbraw/zinc/68/56/24/887685624.db2.gz WJQMCTHHOGKOOK-UHFFFAOYSA-N 1 2 292.299 -1.190 20 0 CAADLO CNC(=O)C[N@H+](C)CCNC(=O)Cn1nnnc1C(C)C ZINC001372142309 887686038 /nfs/dbraw/zinc/68/60/38/887686038.db2.gz ASBKQNPHVYCQER-UHFFFAOYSA-N 1 2 297.363 -1.410 20 0 CAADLO CNC(=O)C[N@@H+](C)CCNC(=O)Cn1nnnc1C(C)C ZINC001372142309 887686039 /nfs/dbraw/zinc/68/60/39/887686039.db2.gz ASBKQNPHVYCQER-UHFFFAOYSA-N 1 2 297.363 -1.410 20 0 CAADLO CNC(=O)C[N@H+](C)CCNC(=O)c1ccc(C(N)=O)[nH]1 ZINC001372110252 887686379 /nfs/dbraw/zinc/68/63/79/887686379.db2.gz QRGVKNYDBMSKJP-UHFFFAOYSA-N 1 2 281.316 -1.479 20 0 CAADLO CNC(=O)C[N@@H+](C)CCNC(=O)c1ccc(C(N)=O)[nH]1 ZINC001372110252 887686384 /nfs/dbraw/zinc/68/63/84/887686384.db2.gz QRGVKNYDBMSKJP-UHFFFAOYSA-N 1 2 281.316 -1.479 20 0 CAADLO Cn1[nH]c(C[N@H+](C)CCNC(=O)Cc2cnoc2)nc1=O ZINC001372068660 887686492 /nfs/dbraw/zinc/68/64/92/887686492.db2.gz IKMJNCYMOPGXTD-UHFFFAOYSA-N 1 2 294.315 -1.113 20 0 CAADLO Cn1[nH]c(C[N@@H+](C)CCNC(=O)Cc2cnoc2)nc1=O ZINC001372068660 887686496 /nfs/dbraw/zinc/68/64/96/887686496.db2.gz IKMJNCYMOPGXTD-UHFFFAOYSA-N 1 2 294.315 -1.113 20 0 CAADLO Cn1nnc2c1C[C@@H](C(=O)NCC[N@H+](C)CC(N)=O)CC2 ZINC001372094572 887687111 /nfs/dbraw/zinc/68/71/11/887687111.db2.gz NEDMNFUHJLHHSR-VIFPVBQESA-N 1 2 294.359 -1.547 20 0 CAADLO Cn1nnc2c1C[C@@H](C(=O)NCC[N@@H+](C)CC(N)=O)CC2 ZINC001372094572 887687119 /nfs/dbraw/zinc/68/71/19/887687119.db2.gz NEDMNFUHJLHHSR-VIFPVBQESA-N 1 2 294.359 -1.547 20 0 CAADLO CNC(=O)C[N@H+](C)CCNC(=O)[C@H]1CCc2nncn2C1 ZINC001372245830 887688715 /nfs/dbraw/zinc/68/87/15/887688715.db2.gz XEOGURQSZQPTTG-JTQLQIEISA-N 1 2 294.359 -1.366 20 0 CAADLO CNC(=O)C[N@@H+](C)CCNC(=O)[C@H]1CCc2nncn2C1 ZINC001372245830 887688725 /nfs/dbraw/zinc/68/87/25/887688725.db2.gz XEOGURQSZQPTTG-JTQLQIEISA-N 1 2 294.359 -1.366 20 0 CAADLO CNC(=O)C[N@H+](C)CCNC(=O)c1cn(C)c(=O)[nH]c1=O ZINC001372217348 887689460 /nfs/dbraw/zinc/68/94/60/887689460.db2.gz GREJITVRKBNXGO-UHFFFAOYSA-N 1 2 297.315 -2.107 20 0 CAADLO CNC(=O)C[N@@H+](C)CCNC(=O)c1cn(C)c(=O)[nH]c1=O ZINC001372217348 887689470 /nfs/dbraw/zinc/68/94/70/887689470.db2.gz GREJITVRKBNXGO-UHFFFAOYSA-N 1 2 297.315 -2.107 20 0 CAADLO CNC(=O)C[N@@H+](C)CCNC(=O)c1c[nH]c(C(N)=O)c1 ZINC001372224609 887690128 /nfs/dbraw/zinc/69/01/28/887690128.db2.gz NGKZKSCZVNZWEW-UHFFFAOYSA-N 1 2 281.316 -1.479 20 0 CAADLO CNS(=O)(=O)CC(=O)NCC[N@H+](C)CC(=O)N(C)C ZINC001372224293 887689737 /nfs/dbraw/zinc/68/97/37/887689737.db2.gz QUEOTMDQBIXYQS-UHFFFAOYSA-N 1 2 294.377 -2.328 20 0 CAADLO CNS(=O)(=O)CC(=O)NCC[N@@H+](C)CC(=O)N(C)C ZINC001372224293 887689743 /nfs/dbraw/zinc/68/97/43/887689743.db2.gz QUEOTMDQBIXYQS-UHFFFAOYSA-N 1 2 294.377 -2.328 20 0 CAADLO CNC(=O)C[N@H+](C)CCNC(=O)c1c[nH]c(C(N)=O)c1 ZINC001372224609 887690123 /nfs/dbraw/zinc/69/01/23/887690123.db2.gz NGKZKSCZVNZWEW-UHFFFAOYSA-N 1 2 281.316 -1.479 20 0 CAADLO CC(=O)NCC(=O)N[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001372245938 887690718 /nfs/dbraw/zinc/69/07/18/887690718.db2.gz VTZQDLUOBBKLAP-JTQLQIEISA-N 1 2 293.327 -1.195 20 0 CAADLO CNC(=O)NC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)COC ZINC001372479503 887695667 /nfs/dbraw/zinc/69/56/67/887695667.db2.gz DZKJRJLVQIXSMV-SECBINFHSA-N 1 2 286.332 -1.331 20 0 CAADLO CNC(=O)NC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)COC ZINC001372479503 887695673 /nfs/dbraw/zinc/69/56/73/887695673.db2.gz DZKJRJLVQIXSMV-SECBINFHSA-N 1 2 286.332 -1.331 20 0 CAADLO CC(=O)NCC(=O)N1CC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001372478384 887697142 /nfs/dbraw/zinc/69/71/42/887697142.db2.gz UWNJUUNOXWSRLD-NSHDSACASA-N 1 2 293.327 -1.264 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](CNC(=O)CCc2cnn[nH]2)C1 ZINC001372658671 887700933 /nfs/dbraw/zinc/70/09/33/887700933.db2.gz HVAIXGFRGXKMCI-SECBINFHSA-N 1 2 280.332 -1.339 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](CNC(=O)CCc2cnn[nH]2)C1 ZINC001372658671 887700941 /nfs/dbraw/zinc/70/09/41/887700941.db2.gz HVAIXGFRGXKMCI-SECBINFHSA-N 1 2 280.332 -1.339 20 0 CAADLO COC(=O)NCC(=O)NC[C@@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001372793710 887707929 /nfs/dbraw/zinc/70/79/29/887707929.db2.gz MGARZDYBKVWHNR-MRVPVSSYSA-N 1 2 297.315 -1.071 20 0 CAADLO COC(=O)NCC(=O)NC[C@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001372793715 887708771 /nfs/dbraw/zinc/70/87/71/887708771.db2.gz MGARZDYBKVWHNR-QMMMGPOBSA-N 1 2 297.315 -1.071 20 0 CAADLO C[C@H](CNC(=O)Cn1cc[nH+]c1)NC(=O)[C@@H]1COCCO1 ZINC001372962148 887718444 /nfs/dbraw/zinc/71/84/44/887718444.db2.gz ZRJQWANDASKHDC-MNOVXSKESA-N 1 2 296.327 -1.081 20 0 CAADLO C[C@@H](CNC(=O)Cn1cc[nH+]c1)NC(=O)Cn1cnnn1 ZINC001372957861 887719337 /nfs/dbraw/zinc/71/93/37/887719337.db2.gz PMKYHCQCRQRRGL-VIFPVBQESA-N 1 2 292.303 -1.809 20 0 CAADLO C[C@H](CNC(=O)Cn1cc[nH+]c1)NC(=O)CCNC(N)=O ZINC001372953804 887719777 /nfs/dbraw/zinc/71/97/77/887719777.db2.gz LBFPUTSVCYALGW-SECBINFHSA-N 1 2 296.331 -1.438 20 0 CAADLO C[C@@H](CNC(=O)Cn1cc[nH+]c1)NC(=O)CCNC(N)=O ZINC001372953810 887720365 /nfs/dbraw/zinc/72/03/65/887720365.db2.gz LBFPUTSVCYALGW-VIFPVBQESA-N 1 2 296.331 -1.438 20 0 CAADLO C[C@H](CNC(=O)c1cn[nH]n1)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001372959215 887720912 /nfs/dbraw/zinc/72/09/12/887720912.db2.gz NHRGSEVQTKTCTD-PSASIEDQSA-N 1 2 296.331 -1.630 20 0 CAADLO C[C@H](CNC(=O)c1cn[nH]n1)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001372959215 887720923 /nfs/dbraw/zinc/72/09/23/887720923.db2.gz NHRGSEVQTKTCTD-PSASIEDQSA-N 1 2 296.331 -1.630 20 0 CAADLO CC(=O)NCC(=O)N[C@H](C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001373059874 887725203 /nfs/dbraw/zinc/72/52/03/887725203.db2.gz QIWUYAMCCATRNW-MRVPVSSYSA-N 1 2 281.316 -1.291 20 0 CAADLO C[C@H](CNC(=O)[C@H]1C[C@H]1C(N)=O)NC(=O)Cc1[nH]cc[nH+]1 ZINC001373123140 887728970 /nfs/dbraw/zinc/72/89/70/887728970.db2.gz YYAJNVHNSNNXFT-HLTSFMKQSA-N 1 2 293.327 -1.306 20 0 CAADLO COCC(=O)N[C@@H]1CCC[N@H+]([C@@H](C)C(=O)NC(N)=O)C1 ZINC001373360852 887731886 /nfs/dbraw/zinc/73/18/86/887731886.db2.gz DRWPBFZFDQGTEO-DTWKUNHWSA-N 1 2 286.332 -1.203 20 0 CAADLO COCC(=O)N[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)NC(N)=O)C1 ZINC001373360852 887731874 /nfs/dbraw/zinc/73/18/74/887731874.db2.gz DRWPBFZFDQGTEO-DTWKUNHWSA-N 1 2 286.332 -1.203 20 0 CAADLO CC(=O)N(C)CC(=O)NCCN(C)C(=O)Cn1cc[nH+]c1 ZINC001373359072 887732479 /nfs/dbraw/zinc/73/24/79/887732479.db2.gz ITIOMUMXYXSDIP-UHFFFAOYSA-N 1 2 295.343 -1.064 20 0 CAADLO CNC(=O)NCC(=O)N[C@@H]1CCC[N@H+](CC(N)=O)C1 ZINC001373371691 887737280 /nfs/dbraw/zinc/73/72/80/887737280.db2.gz BEPJMJBUHHWGCQ-MRVPVSSYSA-N 1 2 271.321 -2.019 20 0 CAADLO CNC(=O)NCC(=O)N[C@@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001373371691 887737288 /nfs/dbraw/zinc/73/72/88/887737288.db2.gz BEPJMJBUHHWGCQ-MRVPVSSYSA-N 1 2 271.321 -2.019 20 0 CAADLO COC[C@H](O)CN1CC(NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001373423112 887738515 /nfs/dbraw/zinc/73/85/15/887738515.db2.gz QVYIYPGAQBATSC-VXGBXAGGSA-N 1 2 287.360 -1.875 20 0 CAADLO COC[C@H](O)CN1CC(NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001373423112 887738524 /nfs/dbraw/zinc/73/85/24/887738524.db2.gz QVYIYPGAQBATSC-VXGBXAGGSA-N 1 2 287.360 -1.875 20 0 CAADLO COCC[NH+]1CC(NC(=O)CCn2ncn(C)c2=O)C1 ZINC001373447074 887738823 /nfs/dbraw/zinc/73/88/23/887738823.db2.gz RLTSRBDCSDDTGV-UHFFFAOYSA-N 1 2 283.332 -1.581 20 0 CAADLO COC[C@H](O)C[NH+]1CC(NC(=O)[C@]2(C)CCNC(=O)C2)C1 ZINC001373434075 887740461 /nfs/dbraw/zinc/74/04/61/887740461.db2.gz NUIMDWNTRQHCMF-BXUZGUMPSA-N 1 2 299.371 -1.290 20 0 CAADLO O=C(CCn1cc[nH+]c1)NC1CN([C@@H]2CCNC2=O)C1 ZINC001373442782 887740583 /nfs/dbraw/zinc/74/05/83/887740583.db2.gz BIRZHPUWFWOHCX-LLVKDONJSA-N 1 2 277.328 -1.038 20 0 CAADLO COC[C@H](O)C[NH+]1CC(NC(=O)c2[nH]c(=O)[nH]c2C)C1 ZINC001373433791 887740682 /nfs/dbraw/zinc/74/06/82/887740682.db2.gz LPBSPBIGFMGHQG-SECBINFHSA-N 1 2 284.316 -1.155 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(NC(=O)CCN2CCCC2=O)C1 ZINC001373477578 887742855 /nfs/dbraw/zinc/74/28/55/887742855.db2.gz AIWCOYCSSKBYNA-LBPRGKRZSA-N 1 2 299.371 -1.193 20 0 CAADLO COC[C@H](O)C[NH+]1CC(NC(=O)[C@]2(F)CCOC2)C1 ZINC001373452750 887743179 /nfs/dbraw/zinc/74/31/79/887743179.db2.gz XMNOWTQWGVHSTJ-PWSUYJOCSA-N 1 2 276.308 -1.077 20 0 CAADLO Cn1cc(CC[NH+]2CC(NC(=O)CCNC(N)=O)C2)cn1 ZINC001373477338 887743515 /nfs/dbraw/zinc/74/35/15/887743515.db2.gz VBISVZXPLARARU-UHFFFAOYSA-N 1 2 294.359 -1.179 20 0 CAADLO CCS(=O)(=O)N(C)CC(=O)NC1C[NH+](CCO)C1 ZINC001373466516 887743781 /nfs/dbraw/zinc/74/37/81/887743781.db2.gz NCEGRJGSMOCSJG-UHFFFAOYSA-N 1 2 279.362 -1.939 20 0 CAADLO CN(CCNC(=O)c1ncn(C)n1)C(=O)Cc1c[nH+]c[nH]1 ZINC001373451233 887744002 /nfs/dbraw/zinc/74/40/02/887744002.db2.gz KZUMUBYQTJIWEL-UHFFFAOYSA-N 1 2 291.315 -1.031 20 0 CAADLO CC(C)OCC[NH+]1CC(NC(=O)CN2CCNC(=O)C2)C1 ZINC001373448062 887744197 /nfs/dbraw/zinc/74/41/97/887744197.db2.gz DCIASEGVWOUMSG-UHFFFAOYSA-N 1 2 298.387 -1.356 20 0 CAADLO COC[C@H](O)C[NH+]1CC(NC(=O)c2c(C)nc[nH]c2=O)C1 ZINC001373448441 887744252 /nfs/dbraw/zinc/74/42/52/887744252.db2.gz QJVFQOQMDXFKIJ-SNVBAGLBSA-N 1 2 296.327 -1.088 20 0 CAADLO C[C@@H]1C[C@H](C(=O)NCC2C[NH+](CC(=O)NC(N)=O)C2)CO1 ZINC001373519141 887745517 /nfs/dbraw/zinc/74/55/17/887745517.db2.gz LBYVWYYRYZEEGX-SCZZXKLOSA-N 1 2 298.343 -1.346 20 0 CAADLO C[C@H](C(N)=O)[NH+]1CC(CNC(=O)CO[C@@H]2CCOC2)C1 ZINC001373509485 887745677 /nfs/dbraw/zinc/74/56/77/887745677.db2.gz ZFPROJUYCPXQAB-MWLCHTKSSA-N 1 2 285.344 -1.286 20 0 CAADLO C[C@@H](C(N)=O)[NH+]1CC(CNC(=O)C[C@@H]2CCNC2=O)C1 ZINC001373513878 887745702 /nfs/dbraw/zinc/74/57/02/887745702.db2.gz OMTLOKXICXPKJU-WPRPVWTQSA-N 1 2 282.344 -1.566 20 0 CAADLO CNC(=O)C[NH+]1CC(CNC(=O)CCn2ccnn2)C1 ZINC001373510554 887745883 /nfs/dbraw/zinc/74/58/83/887745883.db2.gz ZCXZHLBVEYQYAH-UHFFFAOYSA-N 1 2 280.332 -1.538 20 0 CAADLO CC(=O)NCC(=O)NCC1C[NH+]([C@H](C)C(=O)NC(N)=O)C1 ZINC001373493041 887746321 /nfs/dbraw/zinc/74/63/21/887746321.db2.gz UHMSTIYSNQZICU-SSDOTTSWSA-N 1 2 299.331 -2.246 20 0 CAADLO CNC(=O)NCC(=O)NCC1C[NH+](CC(=O)NC2CC2)C1 ZINC001373511015 887746378 /nfs/dbraw/zinc/74/63/78/887746378.db2.gz WPHTVVKPZMJTNW-UHFFFAOYSA-N 1 2 297.359 -1.758 20 0 CAADLO O=C(Cc1cc[nH]n1)NCC1C[NH+]([C@H]2CCNC2=O)C1 ZINC001373495296 887746535 /nfs/dbraw/zinc/74/65/35/887746535.db2.gz BPGYUKMXBHXOIB-NSHDSACASA-N 1 2 277.328 -1.111 20 0 CAADLO CC(C)NC(=O)C[NH+]1CC(CNC(=O)[C@H]2COCCO2)C1 ZINC001373497239 887747549 /nfs/dbraw/zinc/74/75/49/887747549.db2.gz KWYJTKFEMUEZLV-GFCCVEGCSA-N 1 2 299.371 -1.026 20 0 CAADLO COC[C@H](O)C[NH+]1CC(NC(=O)CCc2cn(C)nn2)C1 ZINC001373485880 887747709 /nfs/dbraw/zinc/74/77/09/887747709.db2.gz OIRBRKIYEFSPTC-GFCCVEGCSA-N 1 2 297.359 -1.445 20 0 CAADLO C[C@H](C(N)=O)[NH+]1CC(CNC(=O)C[C@H](C)NC(N)=O)C1 ZINC001373508418 887747811 /nfs/dbraw/zinc/74/78/11/887747811.db2.gz OOYXJLHQEVNTQD-JGVFFNPUSA-N 1 2 285.348 -1.645 20 0 CAADLO NC(=O)C[NH+]1CC(CNC(=O)CCn2ccccc2=O)C1 ZINC001373510895 887748029 /nfs/dbraw/zinc/74/80/29/887748029.db2.gz UOUYQCRSQBDIOS-UHFFFAOYSA-N 1 2 292.339 -1.228 20 0 CAADLO NC(=O)NC(=O)C[NH+]1CC(CNC(=O)C2=COCCC2)C1 ZINC001373493175 887748068 /nfs/dbraw/zinc/74/80/68/887748068.db2.gz IAKMBZBIFDTCCP-UHFFFAOYSA-N 1 2 296.327 -1.076 20 0 CAADLO C[C@@H]1C[C@@H](C(=O)NCC2C[NH+](CC(=O)NC(N)=O)C2)CO1 ZINC001373519139 887748128 /nfs/dbraw/zinc/74/81/28/887748128.db2.gz LBYVWYYRYZEEGX-PSASIEDQSA-N 1 2 298.343 -1.346 20 0 CAADLO CN(C)S(=O)(=O)NCC(=O)NCC1C[NH+](CCF)C1 ZINC001373536088 887749289 /nfs/dbraw/zinc/74/92/89/887749289.db2.gz CXEZUOMYFLRSQJ-UHFFFAOYSA-N 1 2 296.368 -1.600 20 0 CAADLO CC(C)S(=O)(=O)CC(=O)NCC1C[NH+](CCO)C1 ZINC001373558463 887749319 /nfs/dbraw/zinc/74/93/19/887749319.db2.gz WGMJVGYGHCZCDR-UHFFFAOYSA-N 1 2 278.374 -1.150 20 0 CAADLO NC(=O)NC(=O)C[NH+]1CC(CNC(=O)c2ccnnc2)C1 ZINC001373536341 887752356 /nfs/dbraw/zinc/75/23/56/887752356.db2.gz MOVOGDACTYRXIK-UHFFFAOYSA-N 1 2 292.299 -1.667 20 0 CAADLO NC(=O)NC(=O)CN1CC(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001373565531 887752781 /nfs/dbraw/zinc/75/27/81/887752781.db2.gz VCQJDDHRFJBHQN-UHFFFAOYSA-N 1 2 294.315 -1.874 20 0 CAADLO CNC(=O)NC(=O)C[N@@H+]1CC[C@@H](NC(=O)CNC(C)=O)C1 ZINC001373617289 887754445 /nfs/dbraw/zinc/75/44/45/887754445.db2.gz KHWDAMLWUSVHNA-SECBINFHSA-N 1 2 299.331 -2.231 20 0 CAADLO CNC(=O)NC(=O)C[N@H+]1CC[C@@H](NC(=O)CNC(C)=O)C1 ZINC001373617289 887754461 /nfs/dbraw/zinc/75/44/61/887754461.db2.gz KHWDAMLWUSVHNA-SECBINFHSA-N 1 2 299.331 -2.231 20 0 CAADLO NC(=O)NC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCO2)C1 ZINC001373621147 887754716 /nfs/dbraw/zinc/75/47/16/887754716.db2.gz XMSPWVIWPRILOJ-RKDXNWHRSA-N 1 2 284.316 -1.449 20 0 CAADLO NC(=O)NC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CCCO2)C1 ZINC001373621147 887754723 /nfs/dbraw/zinc/75/47/23/887754723.db2.gz XMSPWVIWPRILOJ-RKDXNWHRSA-N 1 2 284.316 -1.449 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@H](C)NC(C)=O)C1 ZINC001373621304 887755618 /nfs/dbraw/zinc/75/56/18/887755618.db2.gz ZQMONSCAMPKHBF-WCBMZHEXSA-N 1 2 270.333 -1.553 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@H](C)NC(C)=O)C1 ZINC001373621304 887755633 /nfs/dbraw/zinc/75/56/33/887755633.db2.gz ZQMONSCAMPKHBF-WCBMZHEXSA-N 1 2 270.333 -1.553 20 0 CAADLO CC(=O)NC(C)(C)C(=O)N[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001373610724 887755896 /nfs/dbraw/zinc/75/58/96/887755896.db2.gz XHNFMRNLNROPEX-VIFPVBQESA-N 1 2 270.333 -1.423 20 0 CAADLO CC(=O)NC(C)(C)C(=O)N[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001373610724 887755911 /nfs/dbraw/zinc/75/59/11/887755911.db2.gz XHNFMRNLNROPEX-VIFPVBQESA-N 1 2 270.333 -1.423 20 0 CAADLO CCNC(=O)CCC(=O)N[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001373624925 887756232 /nfs/dbraw/zinc/75/62/32/887756232.db2.gz XGMGGTFQIQDDEK-SECBINFHSA-N 1 2 270.333 -1.422 20 0 CAADLO CCNC(=O)CCC(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001373624925 887756244 /nfs/dbraw/zinc/75/62/44/887756244.db2.gz XGMGGTFQIQDDEK-SECBINFHSA-N 1 2 270.333 -1.422 20 0 CAADLO C[C@H](CC(N)=O)C(=O)N[C@H]1CC[N@H+](CC(=O)NC2CC2)C1 ZINC001373600113 887756721 /nfs/dbraw/zinc/75/67/21/887756721.db2.gz JGYCCSNEEIHYQD-KOLCDFICSA-N 1 2 296.371 -1.033 20 0 CAADLO C[C@H](CC(N)=O)C(=O)N[C@H]1CC[N@@H+](CC(=O)NC2CC2)C1 ZINC001373600113 887756730 /nfs/dbraw/zinc/75/67/30/887756730.db2.gz JGYCCSNEEIHYQD-KOLCDFICSA-N 1 2 296.371 -1.033 20 0 CAADLO C[C@@H](CC(N)=O)C(=O)N[C@H]1CC[N@H+](CC(=O)NC2CC2)C1 ZINC001373600114 887757358 /nfs/dbraw/zinc/75/73/58/887757358.db2.gz JGYCCSNEEIHYQD-ONGXEEELSA-N 1 2 296.371 -1.033 20 0 CAADLO C[C@@H](CC(N)=O)C(=O)N[C@H]1CC[N@@H+](CC(=O)NC2CC2)C1 ZINC001373600114 887757365 /nfs/dbraw/zinc/75/73/65/887757365.db2.gz JGYCCSNEEIHYQD-ONGXEEELSA-N 1 2 296.371 -1.033 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@H](C)NC(N)=O)C1 ZINC001373624648 887757609 /nfs/dbraw/zinc/75/76/09/887757609.db2.gz CIZQIUDWRFUEIJ-JGVFFNPUSA-N 1 2 271.321 -2.020 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@H](C)NC(N)=O)C1 ZINC001373624648 887757626 /nfs/dbraw/zinc/75/76/26/887757626.db2.gz CIZQIUDWRFUEIJ-JGVFFNPUSA-N 1 2 271.321 -2.020 20 0 CAADLO CCOCC(=O)N(C)[C@H]1CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001373656452 887760101 /nfs/dbraw/zinc/76/01/01/887760101.db2.gz IXYPBYLOEBLCIT-VIFPVBQESA-N 1 2 286.332 -1.250 20 0 CAADLO CCOCC(=O)N(C)[C@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001373656452 887760112 /nfs/dbraw/zinc/76/01/12/887760112.db2.gz IXYPBYLOEBLCIT-VIFPVBQESA-N 1 2 286.332 -1.250 20 0 CAADLO C[C@@H](CC(N)=O)C(=O)N(C)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001373678841 887760218 /nfs/dbraw/zinc/76/02/18/887760218.db2.gz RIMHCYPAQYWDCB-IUCAKERBSA-N 1 2 270.333 -1.484 20 0 CAADLO C[C@@H](CC(N)=O)C(=O)N(C)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001373678841 887760227 /nfs/dbraw/zinc/76/02/27/887760227.db2.gz RIMHCYPAQYWDCB-IUCAKERBSA-N 1 2 270.333 -1.484 20 0 CAADLO Cc1nc[nH]c1C(=O)N[C@@H]1CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001373655166 887762494 /nfs/dbraw/zinc/76/24/94/887762494.db2.gz IMGDGLSDWKWODP-MRVPVSSYSA-N 1 2 294.315 -1.283 20 0 CAADLO Cc1nc[nH]c1C(=O)N[C@@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001373655166 887762498 /nfs/dbraw/zinc/76/24/98/887762498.db2.gz IMGDGLSDWKWODP-MRVPVSSYSA-N 1 2 294.315 -1.283 20 0 CAADLO CCOCC(=O)N(C)[C@@H]1CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001373656451 887762516 /nfs/dbraw/zinc/76/25/16/887762516.db2.gz IXYPBYLOEBLCIT-SECBINFHSA-N 1 2 286.332 -1.250 20 0 CAADLO CCOCC(=O)N(C)[C@@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001373656451 887762525 /nfs/dbraw/zinc/76/25/25/887762525.db2.gz IXYPBYLOEBLCIT-SECBINFHSA-N 1 2 286.332 -1.250 20 0 CAADLO NC(=O)NC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cccnn2)C1 ZINC001373647179 887762660 /nfs/dbraw/zinc/76/26/60/887762660.db2.gz LOOHNNUHKLWKAU-MRVPVSSYSA-N 1 2 292.299 -1.524 20 0 CAADLO NC(=O)NC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cccnn2)C1 ZINC001373647179 887762667 /nfs/dbraw/zinc/76/26/67/887762667.db2.gz LOOHNNUHKLWKAU-MRVPVSSYSA-N 1 2 292.299 -1.524 20 0 CAADLO C[C@H](CC(N)=O)C(=O)N(C)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001373678845 887762900 /nfs/dbraw/zinc/76/29/00/887762900.db2.gz RIMHCYPAQYWDCB-RKDXNWHRSA-N 1 2 270.333 -1.484 20 0 CAADLO C[C@H](CC(N)=O)C(=O)N(C)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001373678845 887762916 /nfs/dbraw/zinc/76/29/16/887762916.db2.gz RIMHCYPAQYWDCB-RKDXNWHRSA-N 1 2 270.333 -1.484 20 0 CAADLO CCN(CCNC(=O)Cc1c[nH]c[nH+]1)C(=O)CNC(N)=O ZINC001373963265 887772080 /nfs/dbraw/zinc/77/20/80/887772080.db2.gz BWPMAONOJHPRGR-UHFFFAOYSA-N 1 2 296.331 -1.415 20 0 CAADLO COCCC(=O)NC[C@H]1C[N@H+](C[C@@H](O)COC)CCO1 ZINC001374113254 887776781 /nfs/dbraw/zinc/77/67/81/887776781.db2.gz AXWOBCWVXYZEAB-NEPJUHHUSA-N 1 2 290.360 -1.153 20 0 CAADLO COCCC(=O)NC[C@H]1C[N@@H+](C[C@@H](O)COC)CCO1 ZINC001374113254 887776790 /nfs/dbraw/zinc/77/67/90/887776790.db2.gz AXWOBCWVXYZEAB-NEPJUHHUSA-N 1 2 290.360 -1.153 20 0 CAADLO NC(=O)CN1CCO[C@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001374136576 887777198 /nfs/dbraw/zinc/77/71/98/887777198.db2.gz RZDVVUDPLULKDB-SECBINFHSA-N 1 2 281.316 -1.746 20 0 CAADLO COC[C@H](O)C[N@@H+]1CCO[C@H](CNC(=O)c2ncc[nH]2)C1 ZINC001374127374 887778934 /nfs/dbraw/zinc/77/89/34/887778934.db2.gz YZXFFPYBLPZYDX-GHMZBOCLSA-N 1 2 298.343 -1.152 20 0 CAADLO COC[C@H](O)C[N@H+]1CCO[C@H](CNC(=O)c2ncc[nH]2)C1 ZINC001374127374 887778943 /nfs/dbraw/zinc/77/89/43/887778943.db2.gz YZXFFPYBLPZYDX-GHMZBOCLSA-N 1 2 298.343 -1.152 20 0 CAADLO CN(CC[N@H+](C)CC(=O)NC1CC1)C(=O)Cn1cnnn1 ZINC001374462127 887784288 /nfs/dbraw/zinc/78/42/88/887784288.db2.gz FCTBFJIPUZWFOW-UHFFFAOYSA-N 1 2 295.347 -1.658 20 0 CAADLO CN(CC[N@@H+](C)CC(=O)NC1CC1)C(=O)Cn1cnnn1 ZINC001374462127 887784297 /nfs/dbraw/zinc/78/42/97/887784297.db2.gz FCTBFJIPUZWFOW-UHFFFAOYSA-N 1 2 295.347 -1.658 20 0 CAADLO CCNC(=O)C[N@H+](C)CCN(C)C(=O)CN(C)C(C)=O ZINC001374468417 887788214 /nfs/dbraw/zinc/78/82/14/887788214.db2.gz SZLWUYDAXJQFHV-UHFFFAOYSA-N 1 2 286.376 -1.009 20 0 CAADLO CCNC(=O)C[N@@H+](C)CCN(C)C(=O)CN(C)C(C)=O ZINC001374468417 887788228 /nfs/dbraw/zinc/78/82/28/887788228.db2.gz SZLWUYDAXJQFHV-UHFFFAOYSA-N 1 2 286.376 -1.009 20 0 CAADLO CN(CC[N@H+](C)CC(N)=O)C(=O)CCCS(N)(=O)=O ZINC001374528572 887789716 /nfs/dbraw/zinc/78/97/16/887789716.db2.gz NGJGAOOELBJNBE-UHFFFAOYSA-N 1 2 294.377 -2.069 20 0 CAADLO CN(CC[N@@H+](C)CC(N)=O)C(=O)CCCS(N)(=O)=O ZINC001374528572 887789724 /nfs/dbraw/zinc/78/97/24/887789724.db2.gz NGJGAOOELBJNBE-UHFFFAOYSA-N 1 2 294.377 -2.069 20 0 CAADLO CN(CC[N@H+](C)CC(N)=O)C(=O)c1ccc2n[nH]nc2n1 ZINC001374503622 887790355 /nfs/dbraw/zinc/79/03/55/887790355.db2.gz UHOXNIMOCAKDFV-UHFFFAOYSA-N 1 2 291.315 -1.158 20 0 CAADLO CN(CC[N@@H+](C)CC(N)=O)C(=O)c1ccc2n[nH]nc2n1 ZINC001374503622 887790367 /nfs/dbraw/zinc/79/03/67/887790367.db2.gz UHOXNIMOCAKDFV-UHFFFAOYSA-N 1 2 291.315 -1.158 20 0 CAADLO CCC(=O)NC[C@H](O)C[NH2+]Cc1nc(CC(=O)NC)no1 ZINC001374564663 887790810 /nfs/dbraw/zinc/79/08/10/887790810.db2.gz AZMLHOBAPIDXBM-MRVPVSSYSA-N 1 2 299.331 -1.665 20 0 CAADLO CN(CC[N@H+](C)CC(N)=O)C(=O)C[C@H]1CCNC1=O ZINC001374499499 887791036 /nfs/dbraw/zinc/79/10/36/887791036.db2.gz MZSQEQBSNAHELL-SECBINFHSA-N 1 2 270.333 -1.612 20 0 CAADLO CN(CC[N@@H+](C)CC(N)=O)C(=O)C[C@H]1CCNC1=O ZINC001374499499 887791041 /nfs/dbraw/zinc/79/10/41/887791041.db2.gz MZSQEQBSNAHELL-SECBINFHSA-N 1 2 270.333 -1.612 20 0 CAADLO COc1cnc(C(=O)N(C)CC[N@H+](C)CC(N)=O)nc1 ZINC001374518751 887792012 /nfs/dbraw/zinc/79/20/12/887792012.db2.gz WGUABRYPMSSOLS-UHFFFAOYSA-N 1 2 281.316 -1.026 20 0 CAADLO COc1cnc(C(=O)N(C)CC[N@@H+](C)CC(N)=O)nc1 ZINC001374518751 887792024 /nfs/dbraw/zinc/79/20/24/887792024.db2.gz WGUABRYPMSSOLS-UHFFFAOYSA-N 1 2 281.316 -1.026 20 0 CAADLO CN(CC[N@H+](C)CC(N)=O)C(=O)[C@H]1CCCN(C(N)=O)C1 ZINC001374518361 887792751 /nfs/dbraw/zinc/79/27/51/887792751.db2.gz SOFMNDXUJZCDOX-JTQLQIEISA-N 1 2 299.375 -1.347 20 0 CAADLO CN(CC[N@@H+](C)CC(N)=O)C(=O)[C@H]1CCCN(C(N)=O)C1 ZINC001374518361 887792769 /nfs/dbraw/zinc/79/27/69/887792769.db2.gz SOFMNDXUJZCDOX-JTQLQIEISA-N 1 2 299.375 -1.347 20 0 CAADLO CC(=O)NCC(=O)NC1CN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001374580133 887795552 /nfs/dbraw/zinc/79/55/52/887795552.db2.gz YMRIZZNMAJDNNZ-UHFFFAOYSA-N 1 2 279.300 -1.585 20 0 CAADLO Cc1noc(C[NH2+]C[C@H](O)CNC(=O)c2ccnn2C)n1 ZINC001374584622 887800080 /nfs/dbraw/zinc/80/00/80/887800080.db2.gz OXNWPSJGRUZELZ-VIFPVBQESA-N 1 2 294.315 -1.008 20 0 CAADLO CO[C@H](C)C(=O)NC[C@@H](O)C[NH2+]Cc1nnc(C)o1 ZINC001374582674 887800512 /nfs/dbraw/zinc/80/05/12/887800512.db2.gz IMEJHGJFGIKSEM-APPZFPTMSA-N 1 2 272.305 -1.020 20 0 CAADLO Cc1noc(C[NH2+]C[C@H](O)CNC(=O)c2cn[nH]c2)n1 ZINC001374582908 887801153 /nfs/dbraw/zinc/80/11/53/887801153.db2.gz CYKUMBFVGJLOIQ-VIFPVBQESA-N 1 2 280.288 -1.018 20 0 CAADLO CO[C@H](C)C(=O)NC[C@H](O)C[NH2+]Cc1nnc(C)o1 ZINC001374582682 887801713 /nfs/dbraw/zinc/80/17/13/887801713.db2.gz IMEJHGJFGIKSEM-VXNVDRBHSA-N 1 2 272.305 -1.020 20 0 CAADLO Cc1noc(C[NH2+]C[C@@H](O)CNC(=O)c2cnnn2C)n1 ZINC001374602634 887812203 /nfs/dbraw/zinc/81/22/03/887812203.db2.gz MYWVWAKLHNDBKZ-MRVPVSSYSA-N 1 2 295.303 -1.613 20 0 CAADLO Cn1cc(C(=O)NC[C@@H](O)C[NH2+]Cc2csnn2)nn1 ZINC001374604436 887812840 /nfs/dbraw/zinc/81/28/40/887812840.db2.gz RLSCVLMQOUONQZ-QMMMGPOBSA-N 1 2 297.344 -1.453 20 0 CAADLO CCC(=O)NCC(=O)NC1CN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001374611968 887813029 /nfs/dbraw/zinc/81/30/29/887813029.db2.gz SNMFADOSAQIRQY-UHFFFAOYSA-N 1 2 293.327 -1.195 20 0 CAADLO C[C@H]([NH2+]C[C@@H](O)CNC(=O)c1cn[nH]n1)c1nncn1C ZINC001374622002 887816300 /nfs/dbraw/zinc/81/63/00/887816300.db2.gz DUOAVZMGQVIDIN-JGVFFNPUSA-N 1 2 294.319 -1.625 20 0 CAADLO C[C@H]([NH2+]C[C@@H](O)CNC(=O)c1cnn[nH]1)c1nncn1C ZINC001374622002 887816317 /nfs/dbraw/zinc/81/63/17/887816317.db2.gz DUOAVZMGQVIDIN-JGVFFNPUSA-N 1 2 294.319 -1.625 20 0 CAADLO C[C@H]([NH2+]C[C@H](O)CNC(=O)c1cn[nH]n1)c1nncn1C ZINC001374622004 887817048 /nfs/dbraw/zinc/81/70/48/887817048.db2.gz DUOAVZMGQVIDIN-YUMQZZPRSA-N 1 2 294.319 -1.625 20 0 CAADLO C[C@H]([NH2+]C[C@H](O)CNC(=O)c1cnn[nH]1)c1nncn1C ZINC001374622004 887817057 /nfs/dbraw/zinc/81/70/57/887817057.db2.gz DUOAVZMGQVIDIN-YUMQZZPRSA-N 1 2 294.319 -1.625 20 0 CAADLO CCn1ncc(C[NH2+]C[C@@H](O)CNC(=O)c2nnc[nH]2)n1 ZINC001374661576 887826973 /nfs/dbraw/zinc/82/69/73/887826973.db2.gz VINHPDLESGLRTG-SECBINFHSA-N 1 2 294.319 -1.703 20 0 CAADLO Cn1cnnc1C[NH2+]C[C@H](O)CNC(=O)Cc1nnc[nH]1 ZINC001374666526 887828200 /nfs/dbraw/zinc/82/82/00/887828200.db2.gz MSJIKAQXLIAEHX-QMMMGPOBSA-N 1 2 294.319 -2.257 20 0 CAADLO Cc1ccnc(C[NH2+]C[C@H](O)CNC(=O)c2nnc[nH]2)n1 ZINC001374659359 887828995 /nfs/dbraw/zinc/82/89/95/887828995.db2.gz OPIRUERNZPSYQS-VIFPVBQESA-N 1 2 291.315 -1.216 20 0 CAADLO CCn1ncc(C[NH2+]C[C@H](O)CNC(=O)c2nnc[nH]2)n1 ZINC001374661578 887829158 /nfs/dbraw/zinc/82/91/58/887829158.db2.gz VINHPDLESGLRTG-VIFPVBQESA-N 1 2 294.319 -1.703 20 0 CAADLO NC(=O)C[NH2+]C[C@@H](O)CNC(=O)c1cccc2nc[nH]c21 ZINC001374662151 887829227 /nfs/dbraw/zinc/82/92/27/887829227.db2.gz UHMPIRBMEDZDES-MRVPVSSYSA-N 1 2 291.311 -1.272 20 0 CAADLO Cn1c[nH+]cc1CC(=O)NC1CN(C(=O)CNC(N)=O)C1 ZINC001374718805 887835544 /nfs/dbraw/zinc/83/55/44/887835544.db2.gz LXKXCYJVGQXBNX-UHFFFAOYSA-N 1 2 294.315 -2.042 20 0 CAADLO Cc1noc(C[NH2+]C[C@@H](C)NC(=O)[C@H]2CNC(=O)N2)n1 ZINC001374808567 887845433 /nfs/dbraw/zinc/84/54/33/887845433.db2.gz NPIXZPUALLWWHR-HTRCEHHLSA-N 1 2 282.304 -1.346 20 0 CAADLO CC(=O)NCC(=O)N1CC(CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001374896320 887851682 /nfs/dbraw/zinc/85/16/82/887851682.db2.gz YYLSLKYYTPXWRT-UHFFFAOYSA-N 1 2 293.327 -1.337 20 0 CAADLO NC(=O)NCC(=O)N1CC(CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001374919129 887852315 /nfs/dbraw/zinc/85/23/15/887852315.db2.gz WJDJTZVRAKLWDV-UHFFFAOYSA-N 1 2 294.315 -1.805 20 0 CAADLO CC(=O)NCC(=O)N[C@H](C)C[N@H+](C)Cc1nc(=O)n(C)[nH]1 ZINC001374989962 887857256 /nfs/dbraw/zinc/85/72/56/887857256.db2.gz GQFGAZNKNHBKNV-MRVPVSSYSA-N 1 2 298.347 -1.819 20 0 CAADLO CC(=O)NCC(=O)N[C@H](C)C[N@@H+](C)Cc1nc(=O)n(C)[nH]1 ZINC001374989962 887857259 /nfs/dbraw/zinc/85/72/59/887857259.db2.gz GQFGAZNKNHBKNV-MRVPVSSYSA-N 1 2 298.347 -1.819 20 0 CAADLO CCNC(=O)CCC(=O)NC[C@H]1CC[N@@H+]1[C@H]1CCNC1=O ZINC001375291176 887868030 /nfs/dbraw/zinc/86/80/30/887868030.db2.gz AUHQSQALNRSPDJ-MNOVXSKESA-N 1 2 296.371 -1.018 20 0 CAADLO CCNC(=O)CCC(=O)NC[C@H]1CC[N@H+]1[C@H]1CCNC1=O ZINC001375291176 887868046 /nfs/dbraw/zinc/86/80/46/887868046.db2.gz AUHQSQALNRSPDJ-MNOVXSKESA-N 1 2 296.371 -1.018 20 0 CAADLO CC[C@H](C(N)=O)[N@@H+]1CC[C@H]1CNC(=O)CCNC(=O)NC ZINC001375308821 887868235 /nfs/dbraw/zinc/86/82/35/887868235.db2.gz WTYQTLAPQHETFC-VHSXEESVSA-N 1 2 299.375 -1.240 20 0 CAADLO CC[C@H](C(N)=O)[N@H+]1CC[C@H]1CNC(=O)CCNC(=O)NC ZINC001375308821 887868258 /nfs/dbraw/zinc/86/82/58/887868258.db2.gz WTYQTLAPQHETFC-VHSXEESVSA-N 1 2 299.375 -1.240 20 0 CAADLO O=C(CNC(=O)C1CC1)NC[C@@H]1CC[N@@H+]1[C@@H]1CCNC1=O ZINC001375299446 887869182 /nfs/dbraw/zinc/86/91/82/887869182.db2.gz XAGKKNCUNGRJGP-WDEREUQCSA-N 1 2 294.355 -1.408 20 0 CAADLO O=C(CNC(=O)C1CC1)NC[C@@H]1CC[N@H+]1[C@@H]1CCNC1=O ZINC001375299446 887869189 /nfs/dbraw/zinc/86/91/89/887869189.db2.gz XAGKKNCUNGRJGP-WDEREUQCSA-N 1 2 294.355 -1.408 20 0 CAADLO CC(=O)N(C)CC(=O)NC[C@@H]1CC[N@@H+]1[C@H]1CCCNC1=O ZINC001375296778 887869413 /nfs/dbraw/zinc/86/94/13/887869413.db2.gz TWWHMSAGZLXPOW-RYUDHWBXSA-N 1 2 296.371 -1.066 20 0 CAADLO CC(=O)N(C)CC(=O)NC[C@@H]1CC[N@H+]1[C@H]1CCCNC1=O ZINC001375296778 887869425 /nfs/dbraw/zinc/86/94/25/887869425.db2.gz TWWHMSAGZLXPOW-RYUDHWBXSA-N 1 2 296.371 -1.066 20 0 CAADLO C[C@@H](C(=O)N(C)C)[N@@H+]1CC[C@@H]1CNC(=O)Cn1ncnn1 ZINC001375312730 887869987 /nfs/dbraw/zinc/86/99/87/887869987.db2.gz JVJWOTIQIIFNDW-VHSXEESVSA-N 1 2 295.347 -1.660 20 0 CAADLO C[C@@H](C(=O)N(C)C)[N@H+]1CC[C@@H]1CNC(=O)Cn1ncnn1 ZINC001375312730 887869999 /nfs/dbraw/zinc/86/99/99/887869999.db2.gz JVJWOTIQIIFNDW-VHSXEESVSA-N 1 2 295.347 -1.660 20 0 CAADLO O=C(Cn1ncnn1)NC[C@H]1CC[N@@H+]1[C@@H]1CCCNC1=O ZINC001375313446 887870315 /nfs/dbraw/zinc/87/03/15/887870315.db2.gz LOPRWXLJXPBRAB-NXEZZACHSA-N 1 2 293.331 -1.858 20 0 CAADLO O=C(Cn1ncnn1)NC[C@H]1CC[N@H+]1[C@@H]1CCCNC1=O ZINC001375313446 887870321 /nfs/dbraw/zinc/87/03/21/887870321.db2.gz LOPRWXLJXPBRAB-NXEZZACHSA-N 1 2 293.331 -1.858 20 0 CAADLO CC(=O)N(C)CC(=O)NC[C@@H]1CC[N@@H+]1[C@@H]1CCCNC1=O ZINC001375296774 887870396 /nfs/dbraw/zinc/87/03/96/887870396.db2.gz TWWHMSAGZLXPOW-NWDGAFQWSA-N 1 2 296.371 -1.066 20 0 CAADLO CC(=O)N(C)CC(=O)NC[C@@H]1CC[N@H+]1[C@@H]1CCCNC1=O ZINC001375296774 887870405 /nfs/dbraw/zinc/87/04/05/887870405.db2.gz TWWHMSAGZLXPOW-NWDGAFQWSA-N 1 2 296.371 -1.066 20 0 CAADLO CCNC(=O)CCC(=O)NC[C@@H]1CC[N@@H+]1[C@@H]1CCNC1=O ZINC001375291183 887870493 /nfs/dbraw/zinc/87/04/93/887870493.db2.gz AUHQSQALNRSPDJ-WDEREUQCSA-N 1 2 296.371 -1.018 20 0 CAADLO CCNC(=O)CCC(=O)NC[C@@H]1CC[N@H+]1[C@@H]1CCNC1=O ZINC001375291183 887870502 /nfs/dbraw/zinc/87/05/02/887870502.db2.gz AUHQSQALNRSPDJ-WDEREUQCSA-N 1 2 296.371 -1.018 20 0 CAADLO CNC(=O)CCCC(=O)NC[C@H]1CC[N@@H+]1[C@H](C)C(N)=O ZINC001375309104 887870554 /nfs/dbraw/zinc/87/05/54/887870554.db2.gz KJJUSDQBZOBWRK-NXEZZACHSA-N 1 2 284.360 -1.033 20 0 CAADLO CNC(=O)CCCC(=O)NC[C@H]1CC[N@H+]1[C@H](C)C(N)=O ZINC001375309104 887870563 /nfs/dbraw/zinc/87/05/63/887870563.db2.gz KJJUSDQBZOBWRK-NXEZZACHSA-N 1 2 284.360 -1.033 20 0 CAADLO CC(=O)N(C)CC(=O)NC[C@H]1CC[N@@H+]1[C@H]1CCCNC1=O ZINC001375296771 887870776 /nfs/dbraw/zinc/87/07/76/887870776.db2.gz TWWHMSAGZLXPOW-NEPJUHHUSA-N 1 2 296.371 -1.066 20 0 CAADLO CC(=O)N(C)CC(=O)NC[C@H]1CC[N@H+]1[C@H]1CCCNC1=O ZINC001375296771 887870785 /nfs/dbraw/zinc/87/07/85/887870785.db2.gz TWWHMSAGZLXPOW-NEPJUHHUSA-N 1 2 296.371 -1.066 20 0 CAADLO COC(=O)NCC(=O)NC[C@H]1CC[N@@H+]1CC(=O)N1CCC1 ZINC001375295917 887871619 /nfs/dbraw/zinc/87/16/19/887871619.db2.gz JYWXQMUQYJTQKK-SNVBAGLBSA-N 1 2 298.343 -1.235 20 0 CAADLO COC(=O)NCC(=O)NC[C@H]1CC[N@H+]1CC(=O)N1CCC1 ZINC001375295917 887871642 /nfs/dbraw/zinc/87/16/42/887871642.db2.gz JYWXQMUQYJTQKK-SNVBAGLBSA-N 1 2 298.343 -1.235 20 0 CAADLO Cn1cnnc1C[NH2+]C1(CNC(=O)[C@H]2COCCO2)CC1 ZINC001375397634 887872956 /nfs/dbraw/zinc/87/29/56/887872956.db2.gz OWSGUEZOAZNHFA-SNVBAGLBSA-N 1 2 295.343 -1.031 20 0 CAADLO CC[C@@H](C(N)=O)[N@@H+]1CC[C@H]1CNC(=O)Cc1nc[nH]n1 ZINC001375360243 887873545 /nfs/dbraw/zinc/87/35/45/887873545.db2.gz YUPWWGXNQSYINB-IUCAKERBSA-N 1 2 280.332 -1.198 20 0 CAADLO CC[C@@H](C(N)=O)[N@H+]1CC[C@H]1CNC(=O)Cc1nc[nH]n1 ZINC001375360243 887873553 /nfs/dbraw/zinc/87/35/53/887873553.db2.gz YUPWWGXNQSYINB-IUCAKERBSA-N 1 2 280.332 -1.198 20 0 CAADLO NC(=O)NC(=O)CN1CC[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001375379326 887874516 /nfs/dbraw/zinc/87/45/16/887874516.db2.gz HGUMYCHIBCWJPU-VIFPVBQESA-N 1 2 294.315 -1.732 20 0 CAADLO NC(=O)NC(=O)CN1CC[C@@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001375379319 887875845 /nfs/dbraw/zinc/87/58/45/887875845.db2.gz HGUMYCHIBCWJPU-SECBINFHSA-N 1 2 294.315 -1.732 20 0 CAADLO CCNC(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CNC(=O)N1 ZINC001375457558 887877259 /nfs/dbraw/zinc/87/72/59/887877259.db2.gz MPFWYFLCHSWGQF-VHSXEESVSA-N 1 2 297.359 -1.663 20 0 CAADLO CCNC(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CNC(=O)N1 ZINC001375457558 887877262 /nfs/dbraw/zinc/87/72/62/887877262.db2.gz MPFWYFLCHSWGQF-VHSXEESVSA-N 1 2 297.359 -1.663 20 0 CAADLO CCNC(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CNC(=O)N1 ZINC001375457550 887878125 /nfs/dbraw/zinc/87/81/25/887878125.db2.gz MPFWYFLCHSWGQF-NXEZZACHSA-N 1 2 297.359 -1.663 20 0 CAADLO CCNC(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CNC(=O)N1 ZINC001375457550 887878140 /nfs/dbraw/zinc/87/81/40/887878140.db2.gz MPFWYFLCHSWGQF-NXEZZACHSA-N 1 2 297.359 -1.663 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CC[C@@H]1CN(C)C(=O)CCn1cnnn1 ZINC001375467694 887879260 /nfs/dbraw/zinc/87/92/60/887879260.db2.gz OWAHCWHIZISUBI-VHSXEESVSA-N 1 2 295.347 -1.530 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CC[C@@H]1CN(C)C(=O)CCn1cnnn1 ZINC001375467694 887879276 /nfs/dbraw/zinc/87/92/76/887879276.db2.gz OWAHCWHIZISUBI-VHSXEESVSA-N 1 2 295.347 -1.530 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CC[C@@H]1CN(C)C(=O)CCn1cnnn1 ZINC001375467642 887880065 /nfs/dbraw/zinc/88/00/65/887880065.db2.gz OWAHCWHIZISUBI-NXEZZACHSA-N 1 2 295.347 -1.530 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CC[C@@H]1CN(C)C(=O)CCn1cnnn1 ZINC001375467642 887880069 /nfs/dbraw/zinc/88/00/69/887880069.db2.gz OWAHCWHIZISUBI-NXEZZACHSA-N 1 2 295.347 -1.530 20 0 CAADLO Cn1nnnc1C[NH2+]C1(CNC(=O)c2cnnn2C)CC1 ZINC001375416210 887880169 /nfs/dbraw/zinc/88/01/69/887880169.db2.gz KVONGJFURQGYFK-UHFFFAOYSA-N 1 2 291.319 -1.609 20 0 CAADLO Cn1cnnc1C[NH2+]C1(CNC(=O)CCNC(N)=O)CC1 ZINC001375543772 887881606 /nfs/dbraw/zinc/88/16/06/887881606.db2.gz KSPVANDJNDHCTH-UHFFFAOYSA-N 1 2 295.347 -1.388 20 0 CAADLO CC(=O)NCC(=O)NC[C@@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001375579311 887882727 /nfs/dbraw/zinc/88/27/27/887882727.db2.gz IPOOCZYUODXCPK-SNVBAGLBSA-N 1 2 295.343 -1.112 20 0 CAADLO Cn1nnc(CNC2(CNC(=O)Cc3[nH]cc[nH+]3)CC2)n1 ZINC001375507721 887883382 /nfs/dbraw/zinc/88/33/82/887883382.db2.gz GVBBKDBVTCPLJG-UHFFFAOYSA-N 1 2 290.331 -1.086 20 0 CAADLO COC[C@H](O)C[NH+]1CC(N(C)C(=O)[C@@H](COC)OC)C1 ZINC001375703276 887885356 /nfs/dbraw/zinc/88/53/56/887885356.db2.gz PDJDZFDHMIMFIT-VXGBXAGGSA-N 1 2 290.360 -1.202 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(N(C)C(=O)[C@H]2COCCO2)C1 ZINC001375664924 887885840 /nfs/dbraw/zinc/88/58/40/887885840.db2.gz VZWXZMNRXQXFAJ-NWDGAFQWSA-N 1 2 288.344 -1.448 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(N(C)C(=O)[C@@H]2CCC(=O)N2C)C1 ZINC001375695633 887886550 /nfs/dbraw/zinc/88/65/50/887886550.db2.gz DRJMTAGEWVZICM-RYUDHWBXSA-N 1 2 299.371 -1.243 20 0 CAADLO COCC(=O)N(C)C1C[NH+](C[C@H](O)CN2CCCC2=O)C1 ZINC001375647645 887887067 /nfs/dbraw/zinc/88/70/67/887887067.db2.gz XDZHRAVDNDKNDR-LBPRGKRZSA-N 1 2 299.371 -1.241 20 0 CAADLO COC[C@H](O)C[NH+]1CC(N(C)C(=O)[C@H]2COCCO2)C1 ZINC001375664926 887887216 /nfs/dbraw/zinc/88/72/16/887887216.db2.gz VZWXZMNRXQXFAJ-VXGBXAGGSA-N 1 2 288.344 -1.448 20 0 CAADLO COC[C@H](O)C[NH+]1CC(N(C)C(=O)[C@H](COC)OC)C1 ZINC001375703271 887887293 /nfs/dbraw/zinc/88/72/93/887887293.db2.gz PDJDZFDHMIMFIT-NEPJUHHUSA-N 1 2 290.360 -1.202 20 0 CAADLO COC[C@H](O)C[NH+]1CC(N(C)C(=O)[C@@H]2CCC(=O)N2C)C1 ZINC001375695629 887887315 /nfs/dbraw/zinc/88/73/15/887887315.db2.gz DRJMTAGEWVZICM-NEPJUHHUSA-N 1 2 299.371 -1.243 20 0 CAADLO CS(=O)(=O)CC[N@@H+]1CC[C@](O)(CNC(=O)C2CC2)C1 ZINC001375999478 887892657 /nfs/dbraw/zinc/89/26/57/887892657.db2.gz TWWGFORSOKBVGO-LBPRGKRZSA-N 1 2 290.385 -1.006 20 0 CAADLO CS(=O)(=O)CC[N@H+]1CC[C@](O)(CNC(=O)C2CC2)C1 ZINC001375999478 887892675 /nfs/dbraw/zinc/89/26/75/887892675.db2.gz TWWGFORSOKBVGO-LBPRGKRZSA-N 1 2 290.385 -1.006 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)CCc2nnc[nH]2)C1 ZINC001376002630 887892904 /nfs/dbraw/zinc/89/29/04/887892904.db2.gz HHIJYBFHQIAOKL-LBPRGKRZSA-N 1 2 296.331 -2.224 20 0 CAADLO NC(=O)C[N@H+]1CC[C@](O)(CNC(=O)CCc2nnc[nH]2)C1 ZINC001376002630 887892910 /nfs/dbraw/zinc/89/29/10/887892910.db2.gz HHIJYBFHQIAOKL-LBPRGKRZSA-N 1 2 296.331 -2.224 20 0 CAADLO NC(=O)NC(=O)C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCOC2)C1 ZINC001376030776 887896985 /nfs/dbraw/zinc/89/69/85/887896985.db2.gz LNTDGZPNKDSTAP-ZJUUUORDSA-N 1 2 298.343 -1.202 20 0 CAADLO NC(=O)NC(=O)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCOC2)C1 ZINC001376030776 887896988 /nfs/dbraw/zinc/89/69/88/887896988.db2.gz LNTDGZPNKDSTAP-ZJUUUORDSA-N 1 2 298.343 -1.202 20 0 CAADLO CNC(=O)C[N@@H+]1CCC[C@H](NC(=O)CCn2cncn2)C1 ZINC001376026895 887897047 /nfs/dbraw/zinc/89/70/47/887897047.db2.gz DYMJYVWGFKIFPW-NSHDSACASA-N 1 2 294.359 -1.005 20 0 CAADLO CNC(=O)C[N@H+]1CCC[C@H](NC(=O)CCn2cncn2)C1 ZINC001376026895 887897051 /nfs/dbraw/zinc/89/70/51/887897051.db2.gz DYMJYVWGFKIFPW-NSHDSACASA-N 1 2 294.359 -1.005 20 0 CAADLO COCC(=O)N[C@H]1CCC[N@@H+]([C@@H](C)C(=O)NC(N)=O)C1 ZINC001376024186 887897292 /nfs/dbraw/zinc/89/72/92/887897292.db2.gz DRWPBFZFDQGTEO-IUCAKERBSA-N 1 2 286.332 -1.203 20 0 CAADLO COCC(=O)N[C@H]1CCC[N@H+]([C@@H](C)C(=O)NC(N)=O)C1 ZINC001376024186 887897300 /nfs/dbraw/zinc/89/73/00/887897300.db2.gz DRWPBFZFDQGTEO-IUCAKERBSA-N 1 2 286.332 -1.203 20 0 CAADLO NC(=O)NC(=O)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCOC2)C1 ZINC001376030773 887898383 /nfs/dbraw/zinc/89/83/83/887898383.db2.gz LNTDGZPNKDSTAP-NXEZZACHSA-N 1 2 298.343 -1.202 20 0 CAADLO NC(=O)NC(=O)C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCOC2)C1 ZINC001376030773 887898392 /nfs/dbraw/zinc/89/83/92/887898392.db2.gz LNTDGZPNKDSTAP-NXEZZACHSA-N 1 2 298.343 -1.202 20 0 CAADLO Cn1cnc(C(=O)NC[C@]2(O)CC[N@H+](CC(N)=O)C2)n1 ZINC001376037603 887899743 /nfs/dbraw/zinc/89/97/43/887899743.db2.gz OEOOYZOLHXWYSQ-LLVKDONJSA-N 1 2 282.304 -2.533 20 0 CAADLO Cn1cnc(C(=O)NC[C@]2(O)CC[N@@H+](CC(N)=O)C2)n1 ZINC001376037603 887899750 /nfs/dbraw/zinc/89/97/50/887899750.db2.gz OEOOYZOLHXWYSQ-LLVKDONJSA-N 1 2 282.304 -2.533 20 0 CAADLO COC[C@@H](C)[NH+]1CC(O)(CNC(=O)Cn2cnnn2)C1 ZINC001376128491 887905863 /nfs/dbraw/zinc/90/58/63/887905863.db2.gz JNVFXXHDXVCQNY-SECBINFHSA-N 1 2 284.320 -2.129 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CNC(=O)NC)C1 ZINC001376127535 887905916 /nfs/dbraw/zinc/90/59/16/887905916.db2.gz INTFBASHFGGBJB-MRVPVSSYSA-N 1 2 271.321 -2.148 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)CNC(=O)NC)C1 ZINC001376127535 887905919 /nfs/dbraw/zinc/90/59/19/887905919.db2.gz INTFBASHFGGBJB-MRVPVSSYSA-N 1 2 271.321 -2.148 20 0 CAADLO CC(=O)NCC(=O)NCC(=O)N[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001376128499 887906023 /nfs/dbraw/zinc/90/60/23/887906023.db2.gz FUSOIEDWOFRLDY-VIFPVBQESA-N 1 2 299.331 -3.086 20 0 CAADLO CC(=O)NCC(=O)NCC(=O)N[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001376128499 887906026 /nfs/dbraw/zinc/90/60/26/887906026.db2.gz FUSOIEDWOFRLDY-VIFPVBQESA-N 1 2 299.331 -3.086 20 0 CAADLO C[C@@H](O)CCC[NH+]1CC(O)(CNC(=O)Cn2cnnn2)C1 ZINC001376130357 887906080 /nfs/dbraw/zinc/90/60/80/887906080.db2.gz SPNJLPDFAQVMEY-SNVBAGLBSA-N 1 2 298.347 -2.003 20 0 CAADLO CCCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H](C)NC(N)=O)C1 ZINC001376118190 887906136 /nfs/dbraw/zinc/90/61/36/887906136.db2.gz WQOHDRLDLAQWRV-UWVGGRQHSA-N 1 2 299.375 -1.240 20 0 CAADLO CCCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@H](C)NC(N)=O)C1 ZINC001376118190 887906138 /nfs/dbraw/zinc/90/61/38/887906138.db2.gz WQOHDRLDLAQWRV-UWVGGRQHSA-N 1 2 299.375 -1.240 20 0 CAADLO COC(=O)NCC(=O)NCC1(O)C[NH+](CCCO)C1 ZINC001376133703 887906282 /nfs/dbraw/zinc/90/62/82/887906282.db2.gz UPINIQIRYSCAIN-UHFFFAOYSA-N 1 2 275.305 -2.112 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(O)(CNC(=O)c2ccc[nH]2)C1 ZINC001376131928 887906332 /nfs/dbraw/zinc/90/63/32/887906332.db2.gz YYEQJRYKNPNGNW-JTQLQIEISA-N 1 2 283.328 -1.202 20 0 CAADLO CC(=O)N[C@@H](C)C(=O)N[C@H]1CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001376123394 887906373 /nfs/dbraw/zinc/90/63/73/887906373.db2.gz PISTXKHXNWMHCP-CBAPKCEASA-N 1 2 299.331 -2.104 20 0 CAADLO CC(=O)N[C@@H](C)C(=O)N[C@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001376123394 887906376 /nfs/dbraw/zinc/90/63/76/887906376.db2.gz PISTXKHXNWMHCP-CBAPKCEASA-N 1 2 299.331 -2.104 20 0 CAADLO CC(=O)NCC(=O)NCC1(O)C[NH+](CCC[C@H](C)O)C1 ZINC001376121563 887906410 /nfs/dbraw/zinc/90/64/10/887906410.db2.gz MLZMYAOREPQZJG-JTQLQIEISA-N 1 2 287.360 -1.554 20 0 CAADLO CCO[C@H]1C[C@H]1C(=O)NCC1(O)C[NH+](CCCO)C1 ZINC001376134732 887906603 /nfs/dbraw/zinc/90/66/03/887906603.db2.gz ZBBBNSCVKVEXQV-MNOVXSKESA-N 1 2 272.345 -1.043 20 0 CAADLO CC(=O)N[C@@H](C)C(=O)N[C@@H]1CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001376123400 887906666 /nfs/dbraw/zinc/90/66/66/887906666.db2.gz PISTXKHXNWMHCP-IONNQARKSA-N 1 2 299.331 -2.104 20 0 CAADLO CC(=O)N[C@@H](C)C(=O)N[C@@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001376123400 887906670 /nfs/dbraw/zinc/90/66/70/887906670.db2.gz PISTXKHXNWMHCP-IONNQARKSA-N 1 2 299.331 -2.104 20 0 CAADLO CCNC(=O)CN1CC[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001376119777 887907004 /nfs/dbraw/zinc/90/70/04/887907004.db2.gz SMSIIGZVSBGCQX-VXGBXAGGSA-N 1 2 298.387 -1.356 20 0 CAADLO CCNC(=O)CN1CC[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001376119777 887907026 /nfs/dbraw/zinc/90/70/26/887907026.db2.gz SMSIIGZVSBGCQX-VXGBXAGGSA-N 1 2 298.387 -1.356 20 0 CAADLO CC(=O)NCC(=O)NCC1(O)C[NH+](CCC[C@@H](C)O)C1 ZINC001376122599 887907244 /nfs/dbraw/zinc/90/72/44/887907244.db2.gz MLZMYAOREPQZJG-SNVBAGLBSA-N 1 2 287.360 -1.554 20 0 CAADLO NC(=O)NC(=O)C[N@@H+]1CC[C@H](NC(=O)Cc2ncc[nH]2)C1 ZINC001376148580 887909067 /nfs/dbraw/zinc/90/90/67/887909067.db2.gz QBTRWVIAWDXUNI-QMMMGPOBSA-N 1 2 294.315 -1.662 20 0 CAADLO NC(=O)NC(=O)C[N@H+]1CC[C@H](NC(=O)Cc2ncc[nH]2)C1 ZINC001376148580 887909073 /nfs/dbraw/zinc/90/90/73/887909073.db2.gz QBTRWVIAWDXUNI-QMMMGPOBSA-N 1 2 294.315 -1.662 20 0 CAADLO CC[C@H](OC)C(=O)NCC1(O)C[NH+](C[C@@H](O)COC)C1 ZINC001376139797 887909158 /nfs/dbraw/zinc/90/91/58/887909158.db2.gz SZTLPFXWMJCLPG-MNOVXSKESA-N 1 2 290.360 -1.418 20 0 CAADLO O=C(NCC1(O)C[NH+](CCCO)C1)[C@H]1CCCOC1 ZINC001376145428 887910050 /nfs/dbraw/zinc/91/00/50/887910050.db2.gz ZKKFMDHOBBHVNG-NSHDSACASA-N 1 2 272.345 -1.042 20 0 CAADLO C[C@H](NS(C)(=O)=O)C(=O)N[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001376144023 887910524 /nfs/dbraw/zinc/91/05/24/887910524.db2.gz BKSQFLPDULCPAW-JGVFFNPUSA-N 1 2 292.361 -2.400 20 0 CAADLO C[C@H](NS(C)(=O)=O)C(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001376144023 887910538 /nfs/dbraw/zinc/91/05/38/887910538.db2.gz BKSQFLPDULCPAW-JGVFFNPUSA-N 1 2 292.361 -2.400 20 0 CAADLO CCO[C@@H]1C[C@@H]1C(=O)NCC1(O)C[NH+](CCCO)C1 ZINC001376134739 887910795 /nfs/dbraw/zinc/91/07/95/887910795.db2.gz ZBBBNSCVKVEXQV-WDEREUQCSA-N 1 2 272.345 -1.043 20 0 CAADLO CCC(=O)N[C@@H](C)C(=O)NCC1(O)C[NH+](C[C@H](C)O)C1 ZINC001376171195 887912181 /nfs/dbraw/zinc/91/21/81/887912181.db2.gz BQSSUJJXKLRDNJ-UWVGGRQHSA-N 1 2 287.360 -1.555 20 0 CAADLO CC(=O)N1CC(C(=O)NCC2(O)C[NH+](C[C@@H](C)O)C2)C1 ZINC001376162707 887912580 /nfs/dbraw/zinc/91/25/80/887912580.db2.gz MRHQZZKEVANRRF-SECBINFHSA-N 1 2 285.344 -1.992 20 0 CAADLO O=C(CN1CCOCC1)NCC1(O)C[NH+](CCCO)C1 ZINC001376165140 887912671 /nfs/dbraw/zinc/91/26/71/887912671.db2.gz GRBVFYOQTVHXTO-UHFFFAOYSA-N 1 2 287.360 -2.136 20 0 CAADLO C[C@H](CC(=O)NCC1(O)C[NH+](C[C@H](C)O)C1)NC(N)=O ZINC001376174606 887912718 /nfs/dbraw/zinc/91/27/18/887912718.db2.gz MEWHIOYLALJJCZ-BDAKNGLRSA-N 1 2 288.348 -2.023 20 0 CAADLO C[C@@H](O)C[NH+]1CC(O)(CNC(=O)C[C@H](C)NC(N)=O)C1 ZINC001376174675 887912732 /nfs/dbraw/zinc/91/27/32/887912732.db2.gz MEWHIOYLALJJCZ-DTWKUNHWSA-N 1 2 288.348 -2.023 20 0 CAADLO COC[C@@H](C)[NH+]1CC(O)(CNC(=O)Cn2ncnn2)C1 ZINC001376168197 887912925 /nfs/dbraw/zinc/91/29/25/887912925.db2.gz GYMZTJHRPPXLTL-SECBINFHSA-N 1 2 284.320 -2.129 20 0 CAADLO O=C(NCC1(O)C[NH+](CCCO)C1)[C@H]1COC(=O)N1 ZINC001376161675 887913021 /nfs/dbraw/zinc/91/30/21/887913021.db2.gz KUJUAVZJXOUVJK-MRVPVSSYSA-N 1 2 273.289 -2.360 20 0 CAADLO COC[C@@H](C)[NH+]1CC(O)(CNC(=O)C[C@@H]2CCNC2=O)C1 ZINC001376188037 887913293 /nfs/dbraw/zinc/91/32/93/887913293.db2.gz WBANJQYTEUOMSA-MNOVXSKESA-N 1 2 299.371 -1.290 20 0 CAADLO Cc1c(CC(=O)NCC2(O)C[NH+](CCCO)C2)cnn1C ZINC001376188632 887913757 /nfs/dbraw/zinc/91/37/57/887913757.db2.gz XFTIMJXHABOVDN-UHFFFAOYSA-N 1 2 296.371 -1.184 20 0 CAADLO C[C@H](O)C[NH+]1CC(O)(CNC(=O)c2ccc(C(N)=O)o2)C1 ZINC001376210562 887915182 /nfs/dbraw/zinc/91/51/82/887915182.db2.gz SAEYMJKVMNZVIM-QMMMGPOBSA-N 1 2 297.311 -1.464 20 0 CAADLO COC[C@H](C)[NH+]1CC(O)(CNC(=O)[C@H]2CCC(=O)NC2)C1 ZINC001376202195 887915352 /nfs/dbraw/zinc/91/53/52/887915352.db2.gz WMAAPPCIPCGKBZ-QWRGUYRKSA-N 1 2 299.371 -1.290 20 0 CAADLO COc1nc(C(=O)NCC2(O)C[NH+](CCCO)C2)co1 ZINC001376214211 887915545 /nfs/dbraw/zinc/91/55/45/887915545.db2.gz NISUZHOZCLWIEH-UHFFFAOYSA-N 1 2 285.300 -1.158 20 0 CAADLO C[C@@H](O)C[NH+]1CC(O)(CNC(=O)c2ccc(C(N)=O)o2)C1 ZINC001376210553 887915619 /nfs/dbraw/zinc/91/56/19/887915619.db2.gz SAEYMJKVMNZVIM-MRVPVSSYSA-N 1 2 297.311 -1.464 20 0 CAADLO C[C@H](O)C[NH+]1CC(O)(CNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001376232452 887915646 /nfs/dbraw/zinc/91/56/46/887915646.db2.gz OZAOBIYOWCSURC-YUMQZZPRSA-N 1 2 272.305 -2.789 20 0 CAADLO COC[C@H](C)[NH+]1CC(O)(CNC(=O)[C@@H]2CCC(=O)NC2)C1 ZINC001376202196 887916417 /nfs/dbraw/zinc/91/64/17/887916417.db2.gz WMAAPPCIPCGKBZ-WDEREUQCSA-N 1 2 299.371 -1.290 20 0 CAADLO COC[C@H](O)C[NH+]1CC(O)(CNC(=O)CCCF)C1 ZINC001376221925 887916574 /nfs/dbraw/zinc/91/65/74/887916574.db2.gz CCAVSKNDCHUPCW-SNVBAGLBSA-N 1 2 278.324 -1.094 20 0 CAADLO Cn1c[nH+]cc1CN1CC(O)(CNC(=O)c2cnon2)C1 ZINC001376254744 887918063 /nfs/dbraw/zinc/91/80/63/887918063.db2.gz DMEYYSYRFHEKNZ-UHFFFAOYSA-N 1 2 292.299 -1.220 20 0 CAADLO Cc1ccnn1CC(=O)NCC1(O)C[NH+](CCCO)C1 ZINC001376244694 887918088 /nfs/dbraw/zinc/91/80/88/887918088.db2.gz HZILANQXKCEWBC-UHFFFAOYSA-N 1 2 282.344 -1.263 20 0 CAADLO NC(=O)c1c[nH]c(C(=O)NCC2(O)C[NH+](CCCO)C2)c1 ZINC001376255714 887918270 /nfs/dbraw/zinc/91/82/70/887918270.db2.gz ISOLDZAREVLAGO-UHFFFAOYSA-N 1 2 296.327 -1.728 20 0 CAADLO C[C@@H](O)C[NH+]1CC(O)(CNC(=O)CCc2cnccn2)C1 ZINC001376268335 887918364 /nfs/dbraw/zinc/91/83/64/887918364.db2.gz OZUGSJWAPQOADM-LLVKDONJSA-N 1 2 294.355 -1.047 20 0 CAADLO CC[C@@H](C[NH+]1CC(O)(CNC(=O)[C@@H]2CCC(=O)N2)C1)OC ZINC001376274915 887918716 /nfs/dbraw/zinc/91/87/16/887918716.db2.gz MAYISBKXZHNXCN-QWRGUYRKSA-N 1 2 299.371 -1.147 20 0 CAADLO CC[C@@H](NC(C)=O)C(=O)NCC1(O)C[NH+](C[C@@H](C)O)C1 ZINC001376243154 887918849 /nfs/dbraw/zinc/91/88/49/887918849.db2.gz SFMRGLWQCWJHHT-MWLCHTKSSA-N 1 2 287.360 -1.555 20 0 CAADLO CC[C@H](C[NH+]1CC(O)(CNC(=O)[C@@H]2CCC(=O)N2)C1)OC ZINC001376274910 887919183 /nfs/dbraw/zinc/91/91/83/887919183.db2.gz MAYISBKXZHNXCN-MNOVXSKESA-N 1 2 299.371 -1.147 20 0 CAADLO C[C@@H](O)C[NH+]1CC(O)(CNC(=O)c2ccc(=O)n(C)n2)C1 ZINC001376290391 887920701 /nfs/dbraw/zinc/92/07/01/887920701.db2.gz ZDZOTNJBYGDYAP-SECBINFHSA-N 1 2 296.327 -2.062 20 0 CAADLO CNC(=O)NCC(=O)N1CC[C@H]([NH2+]Cc2nc(C)no2)C1 ZINC001376322179 887922104 /nfs/dbraw/zinc/92/21/04/887922104.db2.gz JMCVJFNSTTUDQO-VIFPVBQESA-N 1 2 296.331 -1.002 20 0 CAADLO COC[C@H](O)C[NH+]1CC(O)(CNC(=O)Cc2ccc[nH]2)C1 ZINC001376300477 887922293 /nfs/dbraw/zinc/92/22/93/887922293.db2.gz WMCXMBCEXOZPRN-GFCCVEGCSA-N 1 2 297.355 -1.273 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(O)(CNC(=O)Cc2ccc[nH]2)C1 ZINC001376300642 887922577 /nfs/dbraw/zinc/92/25/77/887922577.db2.gz WMCXMBCEXOZPRN-LBPRGKRZSA-N 1 2 297.355 -1.273 20 0 CAADLO CNC(=O)NC(=O)C[N@@H+]1CCC[C@](CO)(NC(C)=O)C1 ZINC001376445311 887928195 /nfs/dbraw/zinc/92/81/95/887928195.db2.gz VVWILHRWUHUODJ-LBPRGKRZSA-N 1 2 286.332 -1.595 20 0 CAADLO CNC(=O)NC(=O)C[N@H+]1CCC[C@](CO)(NC(C)=O)C1 ZINC001376445311 887928204 /nfs/dbraw/zinc/92/82/04/887928204.db2.gz VVWILHRWUHUODJ-LBPRGKRZSA-N 1 2 286.332 -1.595 20 0 CAADLO CNC(=O)NC(=O)C[N@@H+]1CCC[C@@](CO)(NC(C)=O)C1 ZINC001376445304 887928327 /nfs/dbraw/zinc/92/83/27/887928327.db2.gz VVWILHRWUHUODJ-GFCCVEGCSA-N 1 2 286.332 -1.595 20 0 CAADLO CNC(=O)NC(=O)C[N@H+]1CCC[C@@](CO)(NC(C)=O)C1 ZINC001376445304 887928335 /nfs/dbraw/zinc/92/83/35/887928335.db2.gz VVWILHRWUHUODJ-GFCCVEGCSA-N 1 2 286.332 -1.595 20 0 CAADLO Cn1nnc(C[NH2+][C@H]2C[C@@H](NC(=O)CCCC(N)=O)C2)n1 ZINC001376509925 887937485 /nfs/dbraw/zinc/93/74/85/887937485.db2.gz GOTKGZLOBKFZRK-DTORHVGOSA-N 1 2 295.347 -1.398 20 0 CAADLO CO[C@@H](C)C(=O)NC[C@@H](O)CNC(=O)CCc1[nH]cc[nH+]1 ZINC001376518332 887937600 /nfs/dbraw/zinc/93/76/00/887937600.db2.gz GEYCAUXYDNPFAY-UWVGGRQHSA-N 1 2 298.343 -1.030 20 0 CAADLO CO[C@@H](C)C(=O)NC[C@@H](O)CNC(=O)CCn1cc[nH+]c1 ZINC001376520595 887937785 /nfs/dbraw/zinc/93/77/85/887937785.db2.gz JSJJAPKPIKCWMZ-QWRGUYRKSA-N 1 2 298.343 -1.099 20 0 CAADLO O=C(Cn1cc[nH+]c1)NC[C@@H](O)CNC(=O)c1ccn[nH]1 ZINC001376520028 887938054 /nfs/dbraw/zinc/93/80/54/887938054.db2.gz RZCDAFVTUYIBIP-SECBINFHSA-N 1 2 292.299 -1.487 20 0 CAADLO O=C(Cn1cc[nH+]c1)NC[C@H](O)CNC(=O)c1ccn[nH]1 ZINC001376520033 887939203 /nfs/dbraw/zinc/93/92/03/887939203.db2.gz RZCDAFVTUYIBIP-VIFPVBQESA-N 1 2 292.299 -1.487 20 0 CAADLO CO[C@H](C)C(=O)NC[C@H](O)CNC(=O)CCn1cc[nH+]c1 ZINC001376520589 887939259 /nfs/dbraw/zinc/93/92/59/887939259.db2.gz JSJJAPKPIKCWMZ-GHMZBOCLSA-N 1 2 298.343 -1.099 20 0 CAADLO CO[C@H](C)C(=O)NC[C@@H](O)CNC(=O)CCn1cc[nH+]c1 ZINC001376520592 887939978 /nfs/dbraw/zinc/93/99/78/887939978.db2.gz JSJJAPKPIKCWMZ-MNOVXSKESA-N 1 2 298.343 -1.099 20 0 CAADLO CC(C)(O)CC(=O)NC[C@H](O)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001376605455 887946722 /nfs/dbraw/zinc/94/67/22/887946722.db2.gz UMUCAOJLDYLHJU-SECBINFHSA-N 1 2 298.343 -1.294 20 0 CAADLO O=C(Cc1[nH]cc[nH+]1)NC[C@@H](O)CNC(=O)c1ncc[nH]1 ZINC001376613052 887946833 /nfs/dbraw/zinc/94/68/33/887946833.db2.gz WSTQUIOKHSFXGN-MRVPVSSYSA-N 1 2 292.299 -1.418 20 0 CAADLO CO[C@@H](C)C[N@@H+]1CCOC[C@H]1CNC(=O)Cn1cnnn1 ZINC001376635572 887946835 /nfs/dbraw/zinc/94/68/35/887946835.db2.gz MVQNMAYBHZOKFG-WDEREUQCSA-N 1 2 298.347 -1.475 20 0 CAADLO CO[C@@H](C)C[N@H+]1CCOC[C@H]1CNC(=O)Cn1cnnn1 ZINC001376635572 887946836 /nfs/dbraw/zinc/94/68/36/887946836.db2.gz MVQNMAYBHZOKFG-WDEREUQCSA-N 1 2 298.347 -1.475 20 0 CAADLO C[C@@H](O)C[N@@H+]1CCOC[C@H]1CNC(=O)CNC(=O)C1CC1 ZINC001376635863 887946989 /nfs/dbraw/zinc/94/69/89/887946989.db2.gz LUFVZLGZMMRNIB-ZYHUDNBSSA-N 1 2 299.371 -1.290 20 0 CAADLO C[C@@H](O)C[N@H+]1CCOC[C@H]1CNC(=O)CNC(=O)C1CC1 ZINC001376635863 887946992 /nfs/dbraw/zinc/94/69/92/887946992.db2.gz LUFVZLGZMMRNIB-ZYHUDNBSSA-N 1 2 299.371 -1.290 20 0 CAADLO NC(=O)NCCC(=O)NC[C@@H]1COCC[N@@H+]1CCCO ZINC001376679247 887949826 /nfs/dbraw/zinc/94/98/26/887949826.db2.gz SXUMVUPWNNOAII-SNVBAGLBSA-N 1 2 288.348 -1.756 20 0 CAADLO NC(=O)NCCC(=O)NC[C@@H]1COCC[N@H+]1CCCO ZINC001376679247 887949832 /nfs/dbraw/zinc/94/98/32/887949832.db2.gz SXUMVUPWNNOAII-SNVBAGLBSA-N 1 2 288.348 -1.756 20 0 CAADLO C[C@@H](CNC(=O)Cn1cnnn1)[NH2+]Cc1nncs1 ZINC001376700605 887953573 /nfs/dbraw/zinc/95/35/73/887953573.db2.gz YNCAJKXDGYOEBA-ZETCQYMHSA-N 1 2 282.333 -1.181 20 0 CAADLO C[C@H](CNC(=O)Cn1cnnn1)[NH2+]Cc1nncs1 ZINC001376700604 887953685 /nfs/dbraw/zinc/95/36/85/887953685.db2.gz YNCAJKXDGYOEBA-SSDOTTSWSA-N 1 2 282.333 -1.181 20 0 CAADLO CC(=O)NCC(=O)N[C@H](C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001376715219 887954240 /nfs/dbraw/zinc/95/42/40/887954240.db2.gz JCNVBLFILMDBFT-MRVPVSSYSA-N 1 2 281.316 -1.291 20 0 CAADLO CNS(=O)(=O)CC(=O)NC[C@H](C)[NH2+]Cc1cnon1 ZINC001376866588 887964234 /nfs/dbraw/zinc/96/42/34/887964234.db2.gz LLYSFFJWEQMYCR-ZETCQYMHSA-N 1 2 291.333 -1.787 20 0 CAADLO CC(=O)N[C@H](C)C(=O)N[C@H]1COC2(C[NH+](CCO)C2)C1 ZINC001377061585 887972727 /nfs/dbraw/zinc/97/27/27/887972727.db2.gz PHPIWKANMCJNOA-MWLCHTKSSA-N 1 2 285.344 -1.537 20 0 CAADLO CC(=O)N[C@H](C)C(=O)N[C@@H]1COC2(C[NH+](CCO)C2)C1 ZINC001377061579 887973269 /nfs/dbraw/zinc/97/32/69/887973269.db2.gz PHPIWKANMCJNOA-KOLCDFICSA-N 1 2 285.344 -1.537 20 0 CAADLO C[C@H]1C[C@H]1C(=O)NCC[N@H+](C)CC(=O)N1CCNC(=O)C1 ZINC001377122047 887974763 /nfs/dbraw/zinc/97/47/63/887974763.db2.gz OZOSDJYHEBJNAQ-WDEREUQCSA-N 1 2 296.371 -1.351 20 0 CAADLO C[C@H]1C[C@H]1C(=O)NCC[N@@H+](C)CC(=O)N1CCNC(=O)C1 ZINC001377122047 887974769 /nfs/dbraw/zinc/97/47/69/887974769.db2.gz OZOSDJYHEBJNAQ-WDEREUQCSA-N 1 2 296.371 -1.351 20 0 CAADLO NC(=O)CCCC(=O)N[C@H]1COC2(C[NH+](CCCO)C2)C1 ZINC001377082415 887975092 /nfs/dbraw/zinc/97/50/92/887975092.db2.gz JMFOALDKXCBGMV-LLVKDONJSA-N 1 2 299.371 -1.016 20 0 CAADLO COCC(=O)NCC[N@H+](C)CC(=O)N1CCO[C@H](C)C1 ZINC001377113682 887975204 /nfs/dbraw/zinc/97/52/04/887975204.db2.gz WZKLJDXJPKQXGV-LLVKDONJSA-N 1 2 287.360 -1.072 20 0 CAADLO COCC(=O)NCC[N@@H+](C)CC(=O)N1CCO[C@H](C)C1 ZINC001377113682 887975217 /nfs/dbraw/zinc/97/52/17/887975217.db2.gz WZKLJDXJPKQXGV-LLVKDONJSA-N 1 2 287.360 -1.072 20 0 CAADLO CN(C)C(=O)C[N@H+](C)CCNC(=O)CN1CCCC1=O ZINC001377118570 887975281 /nfs/dbraw/zinc/97/52/81/887975281.db2.gz UHBJBXCGLXUORP-UHFFFAOYSA-N 1 2 284.360 -1.255 20 0 CAADLO CN(C)C(=O)C[N@@H+](C)CCNC(=O)CN1CCCC1=O ZINC001377118570 887975291 /nfs/dbraw/zinc/97/52/91/887975291.db2.gz UHBJBXCGLXUORP-UHFFFAOYSA-N 1 2 284.360 -1.255 20 0 CAADLO CO[C@H](C)C(=O)NCC[N@H+](C)CC(=O)N1CCOCC1 ZINC001377135961 887976395 /nfs/dbraw/zinc/97/63/95/887976395.db2.gz PVXJJHODQKXSLK-LLVKDONJSA-N 1 2 287.360 -1.072 20 0 CAADLO CO[C@H](C)C(=O)NCC[N@@H+](C)CC(=O)N1CCOCC1 ZINC001377135961 887976400 /nfs/dbraw/zinc/97/64/00/887976400.db2.gz PVXJJHODQKXSLK-LLVKDONJSA-N 1 2 287.360 -1.072 20 0 CAADLO C[C@@H]1C[C@@H]1C(=O)NCC[N@H+](C)CC(=O)N1CCNC(=O)C1 ZINC001377122032 887976664 /nfs/dbraw/zinc/97/66/64/887976664.db2.gz OZOSDJYHEBJNAQ-MNOVXSKESA-N 1 2 296.371 -1.351 20 0 CAADLO C[C@@H]1C[C@@H]1C(=O)NCC[N@@H+](C)CC(=O)N1CCNC(=O)C1 ZINC001377122032 887976667 /nfs/dbraw/zinc/97/66/67/887976667.db2.gz OZOSDJYHEBJNAQ-MNOVXSKESA-N 1 2 296.371 -1.351 20 0 CAADLO CN(C)C(=O)C[N@H+](C)CCNC(=O)CN(C)C(=O)C1CC1 ZINC001377164143 887978289 /nfs/dbraw/zinc/97/82/89/887978289.db2.gz HGYJDSAMJSOHHS-UHFFFAOYSA-N 1 2 298.387 -1.009 20 0 CAADLO CN(C)C(=O)C[N@@H+](C)CCNC(=O)CN(C)C(=O)C1CC1 ZINC001377164143 887978299 /nfs/dbraw/zinc/97/82/99/887978299.db2.gz HGYJDSAMJSOHHS-UHFFFAOYSA-N 1 2 298.387 -1.009 20 0 CAADLO CC(=O)N1CC(C(=O)NCC[N@@H+](C)CC(=O)N2CCC2)C1 ZINC001377145865 887978583 /nfs/dbraw/zinc/97/85/83/887978583.db2.gz HUZQPTXFVFMBHS-UHFFFAOYSA-N 1 2 296.371 -1.255 20 0 CAADLO CC(=O)N1CC(C(=O)NCC[N@H+](C)CC(=O)N2CCC2)C1 ZINC001377145865 887978591 /nfs/dbraw/zinc/97/85/91/887978591.db2.gz HUZQPTXFVFMBHS-UHFFFAOYSA-N 1 2 296.371 -1.255 20 0 CAADLO CCN(C)C(=O)C[N@H+](C)CCNC(=O)c1cnnn1C ZINC001377146826 887978814 /nfs/dbraw/zinc/97/88/14/887978814.db2.gz MMVQISDURPXQAX-UHFFFAOYSA-N 1 2 282.348 -1.045 20 0 CAADLO CCN(C)C(=O)C[N@@H+](C)CCNC(=O)c1cnnn1C ZINC001377146826 887978819 /nfs/dbraw/zinc/97/88/19/887978819.db2.gz MMVQISDURPXQAX-UHFFFAOYSA-N 1 2 282.348 -1.045 20 0 CAADLO C[N@H+](CCNC(=O)CCn1ccnn1)CC(=O)N1CCC1 ZINC001377149440 887979065 /nfs/dbraw/zinc/97/90/65/887979065.db2.gz YOSIPAZCBZKOHZ-UHFFFAOYSA-N 1 2 294.359 -1.052 20 0 CAADLO C[N@@H+](CCNC(=O)CCn1ccnn1)CC(=O)N1CCC1 ZINC001377149440 887979068 /nfs/dbraw/zinc/97/90/68/887979068.db2.gz YOSIPAZCBZKOHZ-UHFFFAOYSA-N 1 2 294.359 -1.052 20 0 CAADLO Cc1nc(CC(=O)NCC[N@H+](C)[C@@H]2CCNC2=O)n[nH]1 ZINC001377148875 887979152 /nfs/dbraw/zinc/97/91/52/887979152.db2.gz KLRTWUPMBSDEAB-SECBINFHSA-N 1 2 280.332 -1.408 20 0 CAADLO CC(C)CNC(=O)C[N@H+](C)CCNC(=O)Cn1ncnn1 ZINC001377153433 887979100 /nfs/dbraw/zinc/97/91/00/887979100.db2.gz MCQJGKCZTFPLEW-UHFFFAOYSA-N 1 2 297.363 -1.507 20 0 CAADLO CC(C)CNC(=O)C[N@@H+](C)CCNC(=O)Cn1ncnn1 ZINC001377153433 887979103 /nfs/dbraw/zinc/97/91/03/887979103.db2.gz MCQJGKCZTFPLEW-UHFFFAOYSA-N 1 2 297.363 -1.507 20 0 CAADLO Cc1nc(CC(=O)NCC[N@@H+](C)[C@@H]2CCNC2=O)n[nH]1 ZINC001377148875 887979151 /nfs/dbraw/zinc/97/91/51/887979151.db2.gz KLRTWUPMBSDEAB-SECBINFHSA-N 1 2 280.332 -1.408 20 0 CAADLO C[N@H+](CCNC(=O)[C@@H]1Cc2cncn2C(=O)N1)CC(N)=O ZINC001377198324 887981391 /nfs/dbraw/zinc/98/13/91/887981391.db2.gz PBGOEMIQYWNBBR-VIFPVBQESA-N 1 2 294.315 -2.101 20 0 CAADLO C[N@@H+](CCNC(=O)[C@@H]1Cc2cncn2C(=O)N1)CC(N)=O ZINC001377198324 887981401 /nfs/dbraw/zinc/98/14/01/887981401.db2.gz PBGOEMIQYWNBBR-VIFPVBQESA-N 1 2 294.315 -2.101 20 0 CAADLO CN(C)C(=O)C[N@H+](C)CCNC(=O)[C@@H]1CCN(C)C(=O)C1 ZINC001377182499 887981899 /nfs/dbraw/zinc/98/18/99/887981899.db2.gz RXRAYCRGCPITLB-LLVKDONJSA-N 1 2 298.387 -1.009 20 0 CAADLO CN(C)C(=O)C[N@@H+](C)CCNC(=O)[C@@H]1CCN(C)C(=O)C1 ZINC001377182499 887981907 /nfs/dbraw/zinc/98/19/07/887981907.db2.gz RXRAYCRGCPITLB-LLVKDONJSA-N 1 2 298.387 -1.009 20 0 CAADLO C[N@H+](CCNC(=O)[C@H]1CNC(=O)N1)CC(=O)NC1CC1 ZINC001377211574 887981961 /nfs/dbraw/zinc/98/19/61/887981961.db2.gz MPUGZWWJSVPTFG-SECBINFHSA-N 1 2 283.332 -2.006 20 0 CAADLO C[N@@H+](CCNC(=O)[C@H]1CNC(=O)N1)CC(=O)NC1CC1 ZINC001377211574 887981973 /nfs/dbraw/zinc/98/19/73/887981973.db2.gz MPUGZWWJSVPTFG-SECBINFHSA-N 1 2 283.332 -2.006 20 0 CAADLO CC[C@@H](NC(C)=O)C(=O)NCC[N@@H+](C)CC(=O)NC ZINC001377223372 887983014 /nfs/dbraw/zinc/98/30/14/887983014.db2.gz IQGYXBQAKCWWHA-SNVBAGLBSA-N 1 2 272.349 -1.305 20 0 CAADLO CC[C@@H](NC(C)=O)C(=O)NCC[N@H+](C)CC(=O)NC ZINC001377223372 887983008 /nfs/dbraw/zinc/98/30/08/887983008.db2.gz IQGYXBQAKCWWHA-SNVBAGLBSA-N 1 2 272.349 -1.305 20 0 CAADLO CNC(=O)NC(=O)C[N@H+](C)CCNC(=O)c1[nH]nnc1C ZINC001377205304 887983183 /nfs/dbraw/zinc/98/31/83/887983183.db2.gz ITGWDANNNDPTAR-UHFFFAOYSA-N 1 2 297.319 -1.770 20 0 CAADLO CNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)c1[nH]nnc1C ZINC001377205304 887983187 /nfs/dbraw/zinc/98/31/87/887983187.db2.gz ITGWDANNNDPTAR-UHFFFAOYSA-N 1 2 297.319 -1.770 20 0 CAADLO C[N@H+](CCNC(=O)[C@@H]1CNC(=O)N1)CC(=O)NC1CC1 ZINC001377211575 887983196 /nfs/dbraw/zinc/98/31/96/887983196.db2.gz MPUGZWWJSVPTFG-VIFPVBQESA-N 1 2 283.332 -2.006 20 0 CAADLO C[N@@H+](CCNC(=O)[C@@H]1CNC(=O)N1)CC(=O)NC1CC1 ZINC001377211575 887983201 /nfs/dbraw/zinc/98/32/01/887983201.db2.gz MPUGZWWJSVPTFG-VIFPVBQESA-N 1 2 283.332 -2.006 20 0 CAADLO CNC(=O)C[N@H+](C)CCNC(=O)[C@H]1CCCN(C(N)=O)C1 ZINC001377189178 887983459 /nfs/dbraw/zinc/98/34/59/887983459.db2.gz DDKVYVUARNVWPO-JTQLQIEISA-N 1 2 299.375 -1.429 20 0 CAADLO CNC(=O)C[N@@H+](C)CCNC(=O)[C@H]1CCCN(C(N)=O)C1 ZINC001377189178 887983471 /nfs/dbraw/zinc/98/34/71/887983471.db2.gz DDKVYVUARNVWPO-JTQLQIEISA-N 1 2 299.375 -1.429 20 0 CAADLO CNC(=O)C[N@H+](C)CCNC(=O)c1c(C)nc[nH]c1=O ZINC001377208203 887983524 /nfs/dbraw/zinc/98/35/24/887983524.db2.gz MJRVRCGEUKZBOO-UHFFFAOYSA-N 1 2 281.316 -1.102 20 0 CAADLO CNC(=O)C[N@@H+](C)CCNC(=O)c1c(C)nc[nH]c1=O ZINC001377208203 887983534 /nfs/dbraw/zinc/98/35/34/887983534.db2.gz MJRVRCGEUKZBOO-UHFFFAOYSA-N 1 2 281.316 -1.102 20 0 CAADLO CNC(=O)C[N@H+](C)CCNC(=O)COCc1ccnn1C ZINC001377181611 887983691 /nfs/dbraw/zinc/98/36/91/887983691.db2.gz LTQCCFYCQCUQDM-UHFFFAOYSA-N 1 2 297.359 -1.269 20 0 CAADLO CNC(=O)C[N@@H+](C)CCNC(=O)COCc1ccnn1C ZINC001377181611 887983704 /nfs/dbraw/zinc/98/37/04/887983704.db2.gz LTQCCFYCQCUQDM-UHFFFAOYSA-N 1 2 297.359 -1.269 20 0 CAADLO CN(C)C(=O)C[N@H+](C)CCNC(=O)c1cc(C(N)=O)c[nH]1 ZINC001377241483 887985244 /nfs/dbraw/zinc/98/52/44/887985244.db2.gz YUICMGGLAXKVEH-UHFFFAOYSA-N 1 2 295.343 -1.137 20 0 CAADLO CN(C)C(=O)C[N@@H+](C)CCNC(=O)c1cc(C(N)=O)c[nH]1 ZINC001377241483 887985249 /nfs/dbraw/zinc/98/52/49/887985249.db2.gz YUICMGGLAXKVEH-UHFFFAOYSA-N 1 2 295.343 -1.137 20 0 CAADLO CNC(=O)C[N@H+](C)CCNC(=O)c1cncc(OC)n1 ZINC001377228443 887985262 /nfs/dbraw/zinc/98/52/62/887985262.db2.gz LHPSAWMTYDPEND-UHFFFAOYSA-N 1 2 281.316 -1.107 20 0 CAADLO CNC(=O)C[N@@H+](C)CCNC(=O)c1cncc(OC)n1 ZINC001377228443 887985266 /nfs/dbraw/zinc/98/52/66/887985266.db2.gz LHPSAWMTYDPEND-UHFFFAOYSA-N 1 2 281.316 -1.107 20 0 CAADLO CNC(=O)C[N@H+](C)CCNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001377266394 887985877 /nfs/dbraw/zinc/98/58/77/887985877.db2.gz NCSTZFZLLFGSSQ-MRVPVSSYSA-N 1 2 292.361 -2.528 20 0 CAADLO CNC(=O)C[N@@H+](C)CCNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001377266394 887985882 /nfs/dbraw/zinc/98/58/82/887985882.db2.gz NCSTZFZLLFGSSQ-MRVPVSSYSA-N 1 2 292.361 -2.528 20 0 CAADLO CN(C)C(=O)C[N@H+](C)CCNC(=O)[C@@H]1CCCN1C(N)=O ZINC001377273686 887987381 /nfs/dbraw/zinc/98/73/81/887987381.db2.gz HCIUBFBJVBTVNP-JTQLQIEISA-N 1 2 299.375 -1.334 20 0 CAADLO Cn1[nH]c(C[N@H+](C)CCNC(=O)c2ncccn2)nc1=O ZINC001377234718 887987316 /nfs/dbraw/zinc/98/73/16/887987316.db2.gz FIKIDRHDCRGLIT-UHFFFAOYSA-N 1 2 291.315 -1.240 20 0 CAADLO Cn1[nH]c(C[N@@H+](C)CCNC(=O)c2ncccn2)nc1=O ZINC001377234718 887987333 /nfs/dbraw/zinc/98/73/33/887987333.db2.gz FIKIDRHDCRGLIT-UHFFFAOYSA-N 1 2 291.315 -1.240 20 0 CAADLO CN(C)C(=O)C[N@H+](C)CCNC(=O)CCNC(N)=O ZINC001377255827 887987608 /nfs/dbraw/zinc/98/76/08/887987608.db2.gz IFXKPPVSSCBFRY-UHFFFAOYSA-N 1 2 273.337 -1.819 20 0 CAADLO CN(C)C(=O)C[N@@H+](C)CCNC(=O)CCNC(N)=O ZINC001377255827 887987622 /nfs/dbraw/zinc/98/76/22/887987622.db2.gz IFXKPPVSSCBFRY-UHFFFAOYSA-N 1 2 273.337 -1.819 20 0 CAADLO C[N@H+](CCNC(=O)C[C@@H]1CCC(=O)N1)CC(=O)N1CCC1 ZINC001377231509 887987807 /nfs/dbraw/zinc/98/78/07/887987807.db2.gz AWPOBJXZXFWXSV-NSHDSACASA-N 1 2 296.371 -1.065 20 0 CAADLO C[N@@H+](CCNC(=O)C[C@@H]1CCC(=O)N1)CC(=O)N1CCC1 ZINC001377231509 887987812 /nfs/dbraw/zinc/98/78/12/887987812.db2.gz AWPOBJXZXFWXSV-NSHDSACASA-N 1 2 296.371 -1.065 20 0 CAADLO CN(C)C(=O)C[N@H+](C)CCNC(=O)c1c[nH]c(C(N)=O)c1 ZINC001377259914 887988360 /nfs/dbraw/zinc/98/83/60/887988360.db2.gz FMEORNJOXHFLIO-UHFFFAOYSA-N 1 2 295.343 -1.137 20 0 CAADLO CN(C)C(=O)C[N@@H+](C)CCNC(=O)c1c[nH]c(C(N)=O)c1 ZINC001377259914 887988364 /nfs/dbraw/zinc/98/83/64/887988364.db2.gz FMEORNJOXHFLIO-UHFFFAOYSA-N 1 2 295.343 -1.137 20 0 CAADLO C[C@H](CNC(=O)Cn1cc[nH+]c1)NC(=O)[C@H]1C[C@H]1C(N)=O ZINC001377338767 887990433 /nfs/dbraw/zinc/99/04/33/887990433.db2.gz SCJGGUOPBWDHQO-BBBLOLIVSA-N 1 2 293.327 -1.375 20 0 CAADLO CC(=O)NCC(=O)NC[C@@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001377391430 887992928 /nfs/dbraw/zinc/99/29/28/887992928.db2.gz DMIGEWIQCDFFIE-MRVPVSSYSA-N 1 2 281.316 -1.291 20 0 CAADLO CNC(=O)NCC(=O)NC[C@@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001377391038 887995591 /nfs/dbraw/zinc/99/55/91/887995591.db2.gz BBDNERJVPPYDMT-MRVPVSSYSA-N 1 2 296.331 -1.498 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CC[C@H](CNC(=O)CS(C)(=O)=O)C1 ZINC001377436632 887996972 /nfs/dbraw/zinc/99/69/72/887996972.db2.gz RZMVJYZLOADIBT-RKDXNWHRSA-N 1 2 291.373 -1.657 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CC[C@H](CNC(=O)CS(C)(=O)=O)C1 ZINC001377436632 887996976 /nfs/dbraw/zinc/99/69/76/887996976.db2.gz RZMVJYZLOADIBT-RKDXNWHRSA-N 1 2 291.373 -1.657 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CC[C@@H](CNC(=O)CS(C)(=O)=O)C1 ZINC001377436625 887997985 /nfs/dbraw/zinc/99/79/85/887997985.db2.gz RZMVJYZLOADIBT-IUCAKERBSA-N 1 2 291.373 -1.657 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CC[C@@H](CNC(=O)CS(C)(=O)=O)C1 ZINC001377436625 887997995 /nfs/dbraw/zinc/99/79/95/887997995.db2.gz RZMVJYZLOADIBT-IUCAKERBSA-N 1 2 291.373 -1.657 20 0 CAADLO NC(=O)C[NH+]1CCC(CO)(NC(=O)C[C@H]2CCCO2)CC1 ZINC001377547530 888000731 /nfs/dbraw/zinc/00/07/31/888000731.db2.gz GJKLDBXTBHHTNK-LLVKDONJSA-N 1 2 299.371 -1.016 20 0 CAADLO NC(=O)C[NH+]1CCC(CO)(NC(=O)C[C@H]2CCOC2)CC1 ZINC001377568708 888002541 /nfs/dbraw/zinc/00/25/41/888002541.db2.gz WGKBIEADYHRFHE-LLVKDONJSA-N 1 2 299.371 -1.159 20 0 CAADLO NC(=O)C[NH+]1CCC(CO)(NC(=O)c2cnon2)CC1 ZINC001377573804 888004426 /nfs/dbraw/zinc/00/44/26/888004426.db2.gz LESLDEWKNFZAEQ-UHFFFAOYSA-N 1 2 283.288 -1.888 20 0 CAADLO CC(=O)N[C@@H](C)C(=O)N[C@H]1CCC[N@H+](CC(N)=O)C1 ZINC001377836239 888012157 /nfs/dbraw/zinc/01/21/57/888012157.db2.gz NMLCKMNVYLSZBV-WPRPVWTQSA-N 1 2 270.333 -1.423 20 0 CAADLO CC(=O)N[C@@H](C)C(=O)N[C@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001377836239 888012163 /nfs/dbraw/zinc/01/21/63/888012163.db2.gz NMLCKMNVYLSZBV-WPRPVWTQSA-N 1 2 270.333 -1.423 20 0 CAADLO C[N@@H+](CC(N)=O)C[C@@H]1CCN(C(=O)Cc2ncn[nH]2)C1 ZINC001377767258 888012268 /nfs/dbraw/zinc/01/22/68/888012268.db2.gz YFNUKSNEHOFPHV-VIFPVBQESA-N 1 2 280.332 -1.387 20 0 CAADLO C[N@H+](CC(N)=O)C[C@@H]1CCN(C(=O)Cc2ncn[nH]2)C1 ZINC001377767258 888012278 /nfs/dbraw/zinc/01/22/78/888012278.db2.gz YFNUKSNEHOFPHV-VIFPVBQESA-N 1 2 280.332 -1.387 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(NC(=O)C[C@H]2COC(=O)C2)C1 ZINC001377877753 888014785 /nfs/dbraw/zinc/01/47/85/888014785.db2.gz BNQSAJAIGFMSRK-KOLCDFICSA-N 1 2 286.328 -1.253 20 0 CAADLO CNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)CCNC(N)=O)C1 ZINC001377827189 888014030 /nfs/dbraw/zinc/01/40/30/888014030.db2.gz XNROYHVPVPLIJV-SECBINFHSA-N 1 2 285.348 -1.629 20 0 CAADLO CNC(=O)C[N@H+]1CCC[C@@H](NC(=O)CCNC(N)=O)C1 ZINC001377827189 888014036 /nfs/dbraw/zinc/01/40/36/888014036.db2.gz XNROYHVPVPLIJV-SECBINFHSA-N 1 2 285.348 -1.629 20 0 CAADLO COC[C@H](O)C[NH+]1CC(NC(=O)CN(C)C(C)=O)C1 ZINC001377864979 888014997 /nfs/dbraw/zinc/01/49/97/888014997.db2.gz AULHKFOTMYMHNR-LLVKDONJSA-N 1 2 273.333 -1.728 20 0 CAADLO COC[C@H](O)C[NH+]1CC(NC(=O)c2ccc(=O)[nH]n2)C1 ZINC001377858464 888015610 /nfs/dbraw/zinc/01/56/10/888015610.db2.gz NUZWDEOMMWHQOJ-SECBINFHSA-N 1 2 282.300 -1.397 20 0 CAADLO COC[C@H](O)C[NH+]1CC(NC(=O)C[C@H]2COC(=O)C2)C1 ZINC001377877755 888015837 /nfs/dbraw/zinc/01/58/37/888015837.db2.gz BNQSAJAIGFMSRK-MWLCHTKSSA-N 1 2 286.328 -1.253 20 0 CAADLO COC[C@H](O)C[NH+]1CC(NC(=O)CCn2cncn2)C1 ZINC001377872012 888017070 /nfs/dbraw/zinc/01/70/70/888017070.db2.gz ZSXBTULVYVOJCV-LLVKDONJSA-N 1 2 283.332 -1.524 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(NC(=O)C[C@@H]2COC(=O)C2)C1 ZINC001377877759 888017175 /nfs/dbraw/zinc/01/71/75/888017175.db2.gz BNQSAJAIGFMSRK-ONGXEEELSA-N 1 2 286.328 -1.253 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(NC(=O)[C@H]2CCC(=O)NC2)C1 ZINC001377898218 888018945 /nfs/dbraw/zinc/01/89/45/888018945.db2.gz PHCAENDNGMVGPW-ONGXEEELSA-N 1 2 285.344 -1.680 20 0 CAADLO COC[C@H](O)C[NH+]1CC(NC(=O)[C@H]2CCC(=O)NC2)C1 ZINC001377898201 888019315 /nfs/dbraw/zinc/01/93/15/888019315.db2.gz PHCAENDNGMVGPW-GXSJLCMTSA-N 1 2 285.344 -1.680 20 0 CAADLO COC[C@H](O)C[NH+]1CC(NC(=O)c2ccc(=O)n(C)c2)C1 ZINC001377896065 888019339 /nfs/dbraw/zinc/01/93/39/888019339.db2.gz KDTCQNJBDWQQBU-GFCCVEGCSA-N 1 2 295.339 -1.193 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(NC(=O)[C@H]2CCCC(=O)N2C)C1 ZINC001377937848 888021445 /nfs/dbraw/zinc/02/14/45/888021445.db2.gz NXNWNIYNPKTPFB-NWDGAFQWSA-N 1 2 299.371 -1.195 20 0 CAADLO CNC(=O)C[NH+]1CC(CNC(=O)[C@H](C)NC(C)=O)C1 ZINC001377953606 888023011 /nfs/dbraw/zinc/02/30/11/888023011.db2.gz HEGCVJCNGOQXHH-QMMMGPOBSA-N 1 2 270.333 -1.695 20 0 CAADLO CN(C)C(=O)C[NH+]1CC(CNC(=O)Cn2cnnn2)C1 ZINC001377958431 888021761 /nfs/dbraw/zinc/02/17/61/888021761.db2.gz ZAYDMKCEBHTACL-UHFFFAOYSA-N 1 2 281.320 -2.191 20 0 CAADLO NC(=O)NC(=O)C[NH+]1CC(CNC(=O)Cn2cccn2)C1 ZINC001377958389 888022049 /nfs/dbraw/zinc/02/20/49/888022049.db2.gz YJBLRERCUXDGKG-UHFFFAOYSA-N 1 2 294.315 -1.874 20 0 CAADLO COC[C@H](O)C[NH+]1CC(NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001377921374 888022801 /nfs/dbraw/zinc/02/28/01/888022801.db2.gz FPWXXTSYRJPEMB-BDAKNGLRSA-N 1 2 272.305 -2.525 20 0 CAADLO CC(=O)N[C@H](C)C(=O)NCC1C[NH+](CC(=O)NC2CC2)C1 ZINC001377957261 888022531 /nfs/dbraw/zinc/02/25/31/888022531.db2.gz SWSAZUAWXMFFKM-SECBINFHSA-N 1 2 296.371 -1.162 20 0 CAADLO COC[C@H](O)C[NH+]1CC(NC(=O)CCc2cnn(C)n2)C1 ZINC001377953390 888022598 /nfs/dbraw/zinc/02/25/98/888022598.db2.gz HDTVCXTUKVWABH-GFCCVEGCSA-N 1 2 297.359 -1.445 20 0 CAADLO C[C@@H](CNC(=O)[C@H]1CNC(=O)N1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001377938203 888022828 /nfs/dbraw/zinc/02/28/28/888022828.db2.gz GBBUONQOTNBOPG-JGVFFNPUSA-N 1 2 294.315 -1.746 20 0 CAADLO NC(=O)NC(=O)C[NH+]1CC(CNC(=O)C[C@@H]2CCOC2)C1 ZINC001377960541 888024552 /nfs/dbraw/zinc/02/45/52/888024552.db2.gz ZFRSDCYINZEIRN-VIFPVBQESA-N 1 2 298.343 -1.344 20 0 CAADLO CC[C@@H](NC(C)=O)C(=O)NCC1C[NH+](CC(=O)NC)C1 ZINC001377997520 888025030 /nfs/dbraw/zinc/02/50/30/888025030.db2.gz SMTARZAJBJVLSP-LLVKDONJSA-N 1 2 284.360 -1.305 20 0 CAADLO C[C@@H](CC(=O)NCC1C[NH+]([C@@H]2CCNC2=O)C1)NC(N)=O ZINC001377971471 888025538 /nfs/dbraw/zinc/02/55/38/888025538.db2.gz MZUPOLUBTZHSTM-WCBMZHEXSA-N 1 2 297.359 -1.630 20 0 CAADLO C[C@H](C(N)=O)[NH+]1CC(CNC(=O)[C@@H](C)CC(N)=O)C1 ZINC001377989483 888025760 /nfs/dbraw/zinc/02/57/60/888025760.db2.gz ZIQXPQLXCCELJP-JGVFFNPUSA-N 1 2 270.333 -1.580 20 0 CAADLO C[C@H](CC(=O)NCC1C[NH+]([C@@H]2CCNC2=O)C1)NC(N)=O ZINC001377971458 888026050 /nfs/dbraw/zinc/02/60/50/888026050.db2.gz MZUPOLUBTZHSTM-PSASIEDQSA-N 1 2 297.359 -1.630 20 0 CAADLO O=C(CCc1nnc[nH]1)NCC1C[NH+]([C@H]2CCNC2=O)C1 ZINC001377960808 888026155 /nfs/dbraw/zinc/02/61/55/888026155.db2.gz XDXPCBBVOPIROD-JTQLQIEISA-N 1 2 292.343 -1.326 20 0 CAADLO CC(=O)NCC(=O)NC[C@H](C)[N@H+](C)Cc1cnnn1C ZINC001377992573 888026209 /nfs/dbraw/zinc/02/62/09/888026209.db2.gz SUIOPUVXDLCEGO-VIFPVBQESA-N 1 2 282.348 -1.112 20 0 CAADLO CC(=O)NCC(=O)NC[C@H](C)[N@@H+](C)Cc1cnnn1C ZINC001377992573 888026216 /nfs/dbraw/zinc/02/62/16/888026216.db2.gz SUIOPUVXDLCEGO-VIFPVBQESA-N 1 2 282.348 -1.112 20 0 CAADLO CN(C)C(=O)C[NH+]1CC(CNC(=O)C[C@H]2CCNC2=O)C1 ZINC001377977429 888026377 /nfs/dbraw/zinc/02/63/77/888026377.db2.gz URYCAVCYDLIQQR-LLVKDONJSA-N 1 2 296.371 -1.351 20 0 CAADLO C[C@@H](C(N)=O)[NH+]1CC(CNC(=O)CCn2ccnn2)C1 ZINC001377968347 888026473 /nfs/dbraw/zinc/02/64/73/888026473.db2.gz IOBKZHJMSYFIMM-VIFPVBQESA-N 1 2 280.332 -1.410 20 0 CAADLO C[C@H](C(N)=O)[NH+]1CC(CNC(=O)CCn2ccnn2)C1 ZINC001377968345 888026720 /nfs/dbraw/zinc/02/67/20/888026720.db2.gz IOBKZHJMSYFIMM-SECBINFHSA-N 1 2 280.332 -1.410 20 0 CAADLO C[C@H](C(N)=O)[NH+]1CC(CNC(=O)CN2CCNC(=O)C2)C1 ZINC001377986001 888027346 /nfs/dbraw/zinc/02/73/46/888027346.db2.gz OZOXVHZTGBTWAT-SECBINFHSA-N 1 2 297.359 -2.660 20 0 CAADLO CC(=O)NCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2[C@H]1CCN(C)C1=O ZINC001378025222 888028849 /nfs/dbraw/zinc/02/88/49/888028849.db2.gz INYCALVZLPPHLH-SRVKXCTJSA-N 1 2 294.355 -1.362 20 0 CAADLO CC(=O)NCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@H]1CCN(C)C1=O ZINC001378025222 888028859 /nfs/dbraw/zinc/02/88/59/888028859.db2.gz INYCALVZLPPHLH-SRVKXCTJSA-N 1 2 294.355 -1.362 20 0 CAADLO O=C(Cc1nnc[nH]1)NCC1C[NH+](CCn2cncn2)C1 ZINC001378018141 888029669 /nfs/dbraw/zinc/02/96/69/888029669.db2.gz RRRUIYWDMHKSCY-UHFFFAOYSA-N 1 2 290.331 -1.313 20 0 CAADLO C[C@@H]1OCC[C@H]1C(=O)NCC1C[NH+](CC(=O)NC(N)=O)C1 ZINC001378005291 888029789 /nfs/dbraw/zinc/02/97/89/888029789.db2.gz KVKZQYFXEYWTLI-WCBMZHEXSA-N 1 2 298.343 -1.346 20 0 CAADLO CC(C)NC(=O)C[NH+]1CC(CNC(=O)Cn2cncn2)C1 ZINC001378017351 888029978 /nfs/dbraw/zinc/02/99/78/888029978.db2.gz XAOYEBSZGCZBKJ-UHFFFAOYSA-N 1 2 294.359 -1.149 20 0 CAADLO CN(C)C(=O)C[NH+]1CC(CNC(=O)Cn2cncn2)C1 ZINC001378013365 888030683 /nfs/dbraw/zinc/03/06/83/888030683.db2.gz DIDDRYFJKNSLRI-UHFFFAOYSA-N 1 2 280.332 -1.586 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)NC(N)=O ZINC001378030007 888030797 /nfs/dbraw/zinc/03/07/97/888030797.db2.gz UTVDOXMBOYFCJC-XKNYDFJKSA-N 1 2 297.359 -1.537 20 0 CAADLO CNC(=O)[C@H](C)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)NC(N)=O ZINC001378030007 888030808 /nfs/dbraw/zinc/03/08/08/888030808.db2.gz UTVDOXMBOYFCJC-XKNYDFJKSA-N 1 2 297.359 -1.537 20 0 CAADLO CC(=O)N[C@H](C)C(=O)N[C@@H]1CC[N@H+](CC(=O)NC2CC2)C1 ZINC001378099880 888033214 /nfs/dbraw/zinc/03/32/14/888033214.db2.gz LCHJPNTUTPOAGA-BXKDBHETSA-N 1 2 296.371 -1.020 20 0 CAADLO CC(=O)N[C@H](C)C(=O)N[C@@H]1CC[N@@H+](CC(=O)NC2CC2)C1 ZINC001378099880 888033223 /nfs/dbraw/zinc/03/32/23/888033223.db2.gz LCHJPNTUTPOAGA-BXKDBHETSA-N 1 2 296.371 -1.020 20 0 CAADLO C[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)NC(=O)Cn1cncn1 ZINC001378055288 888033288 /nfs/dbraw/zinc/03/32/88/888033288.db2.gz NPPGKIKBXTYBNY-VIFPVBQESA-N 1 2 291.315 -1.135 20 0 CAADLO CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H](COC)OC)C1 ZINC001378072656 888033700 /nfs/dbraw/zinc/03/37/00/888033700.db2.gz MBRFLMKMIGXNDI-WDEREUQCSA-N 1 2 287.360 -1.026 20 0 CAADLO CCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H](COC)OC)C1 ZINC001378072656 888033714 /nfs/dbraw/zinc/03/37/14/888033714.db2.gz MBRFLMKMIGXNDI-WDEREUQCSA-N 1 2 287.360 -1.026 20 0 CAADLO CNS(=O)(=O)CC(=O)N[C@H]1CC[N@@H+]([C@H](C)C(N)=O)C1 ZINC001378084574 888034311 /nfs/dbraw/zinc/03/43/11/888034311.db2.gz SJQCSQRPPPKCLY-SFYZADRCSA-N 1 2 292.361 -2.400 20 0 CAADLO CNS(=O)(=O)CC(=O)N[C@H]1CC[N@H+]([C@H](C)C(N)=O)C1 ZINC001378084574 888034314 /nfs/dbraw/zinc/03/43/14/888034314.db2.gz SJQCSQRPPPKCLY-SFYZADRCSA-N 1 2 292.361 -2.400 20 0 CAADLO Cc1noc(CCC(=O)N[C@H]2CC[N@H+](CC(N)=O)C2)n1 ZINC001378066214 888034715 /nfs/dbraw/zinc/03/47/15/888034715.db2.gz JWROMVHKGUPKNB-VIFPVBQESA-N 1 2 281.316 -1.014 20 0 CAADLO Cc1noc(CCC(=O)N[C@H]2CC[N@@H+](CC(N)=O)C2)n1 ZINC001378066214 888034719 /nfs/dbraw/zinc/03/47/19/888034719.db2.gz JWROMVHKGUPKNB-VIFPVBQESA-N 1 2 281.316 -1.014 20 0 CAADLO CNC(=O)NC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H](C)OC)C1 ZINC001378058672 888034769 /nfs/dbraw/zinc/03/47/69/888034769.db2.gz QWAYGJGJXYSWKQ-BDAKNGLRSA-N 1 2 286.332 -1.333 20 0 CAADLO CNC(=O)NC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H](C)OC)C1 ZINC001378058672 888034777 /nfs/dbraw/zinc/03/47/77/888034777.db2.gz QWAYGJGJXYSWKQ-BDAKNGLRSA-N 1 2 286.332 -1.333 20 0 CAADLO CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001378068147 888035153 /nfs/dbraw/zinc/03/51/53/888035153.db2.gz LKIWSSAPQKXCIP-IUCAKERBSA-N 1 2 283.332 -2.006 20 0 CAADLO CCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001378068147 888035163 /nfs/dbraw/zinc/03/51/63/888035163.db2.gz LKIWSSAPQKXCIP-IUCAKERBSA-N 1 2 283.332 -2.006 20 0 CAADLO CCCC[C@H](NC(N)=O)C(=O)N[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001378086161 888035198 /nfs/dbraw/zinc/03/51/98/888035198.db2.gz KDFBRHIZTLZIJE-UWVGGRQHSA-N 1 2 299.375 -1.111 20 0 CAADLO CCCC[C@H](NC(N)=O)C(=O)N[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001378086161 888035212 /nfs/dbraw/zinc/03/52/12/888035212.db2.gz KDFBRHIZTLZIJE-UWVGGRQHSA-N 1 2 299.375 -1.111 20 0 CAADLO CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cnnn2C)C1 ZINC001378060243 888035507 /nfs/dbraw/zinc/03/55/07/888035507.db2.gz KCDRPCDVCNOJRT-VIFPVBQESA-N 1 2 280.332 -1.245 20 0 CAADLO CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cnnn2C)C1 ZINC001378060243 888035524 /nfs/dbraw/zinc/03/55/24/888035524.db2.gz KCDRPCDVCNOJRT-VIFPVBQESA-N 1 2 280.332 -1.245 20 0 CAADLO CO[C@@H](C(=O)N[C@@H]1CC[N@H+](CC(=O)NC(N)=O)C1)C1CC1 ZINC001378105844 888035828 /nfs/dbraw/zinc/03/58/28/888035828.db2.gz HKROLTBBJVRPDK-MWLCHTKSSA-N 1 2 298.343 -1.203 20 0 CAADLO CO[C@@H](C(=O)N[C@@H]1CC[N@@H+](CC(=O)NC(N)=O)C1)C1CC1 ZINC001378105844 888035837 /nfs/dbraw/zinc/03/58/37/888035837.db2.gz HKROLTBBJVRPDK-MWLCHTKSSA-N 1 2 298.343 -1.203 20 0 CAADLO CC(C)NC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2COC(=O)N2)C1 ZINC001378105168 888035895 /nfs/dbraw/zinc/03/58/95/888035895.db2.gz BJLRGKWROVSBMZ-NXEZZACHSA-N 1 2 298.343 -1.190 20 0 CAADLO CC(C)NC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@H]2COC(=O)N2)C1 ZINC001378105168 888035907 /nfs/dbraw/zinc/03/59/07/888035907.db2.gz BJLRGKWROVSBMZ-NXEZZACHSA-N 1 2 298.343 -1.190 20 0 CAADLO CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H](COC)OC)C1 ZINC001378072653 888036376 /nfs/dbraw/zinc/03/63/76/888036376.db2.gz MBRFLMKMIGXNDI-QWRGUYRKSA-N 1 2 287.360 -1.026 20 0 CAADLO CCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@H](COC)OC)C1 ZINC001378072653 888036385 /nfs/dbraw/zinc/03/63/85/888036385.db2.gz MBRFLMKMIGXNDI-QWRGUYRKSA-N 1 2 287.360 -1.026 20 0 CAADLO COCC(=O)N[C@@H]1CC[N@H+](CC(=O)N2CCNC(=O)C2)C1 ZINC001378087467 888036460 /nfs/dbraw/zinc/03/64/60/888036460.db2.gz CWWDWCBERTYJAZ-SNVBAGLBSA-N 1 2 298.343 -2.218 20 0 CAADLO COCC(=O)N[C@@H]1CC[N@@H+](CC(=O)N2CCNC(=O)C2)C1 ZINC001378087467 888036473 /nfs/dbraw/zinc/03/64/73/888036473.db2.gz CWWDWCBERTYJAZ-SNVBAGLBSA-N 1 2 298.343 -2.218 20 0 CAADLO CN(C(=O)c1ncc[nH]1)[C@@H]1CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001378160228 888037459 /nfs/dbraw/zinc/03/74/59/888037459.db2.gz YTLVFLNUYIXFAK-MRVPVSSYSA-N 1 2 294.315 -1.249 20 0 CAADLO CN(C(=O)c1ncc[nH]1)[C@@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001378160228 888037471 /nfs/dbraw/zinc/03/74/71/888037471.db2.gz YTLVFLNUYIXFAK-MRVPVSSYSA-N 1 2 294.315 -1.249 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)COC[C@H]2CCCO2)C1 ZINC001378136390 888037789 /nfs/dbraw/zinc/03/77/89/888037789.db2.gz COOSUPCLPGZOCM-GHMZBOCLSA-N 1 2 285.344 -1.142 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)COC[C@H]2CCCO2)C1 ZINC001378136390 888037802 /nfs/dbraw/zinc/03/78/02/888037802.db2.gz COOSUPCLPGZOCM-GHMZBOCLSA-N 1 2 285.344 -1.142 20 0 CAADLO CS(=O)(=O)NCCC(=O)N[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001378111723 888039906 /nfs/dbraw/zinc/03/99/06/888039906.db2.gz YJSPSOPRQPCDDZ-MRVPVSSYSA-N 1 2 292.361 -2.399 20 0 CAADLO CS(=O)(=O)NCCC(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001378111723 888039911 /nfs/dbraw/zinc/03/99/11/888039911.db2.gz YJSPSOPRQPCDDZ-MRVPVSSYSA-N 1 2 292.361 -2.399 20 0 CAADLO CC(=O)N[C@H](C)C(=O)N(C)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001378137897 888040784 /nfs/dbraw/zinc/04/07/84/888040784.db2.gz LVVZXYZQRXYFAO-SCZZXKLOSA-N 1 2 270.333 -1.471 20 0 CAADLO CC(=O)N[C@H](C)C(=O)N(C)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001378137897 888040798 /nfs/dbraw/zinc/04/07/98/888040798.db2.gz LVVZXYZQRXYFAO-SCZZXKLOSA-N 1 2 270.333 -1.471 20 0 CAADLO CC(=O)N[C@H](C)C(=O)N(C)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001378137894 888041240 /nfs/dbraw/zinc/04/12/40/888041240.db2.gz LVVZXYZQRXYFAO-PSASIEDQSA-N 1 2 270.333 -1.471 20 0 CAADLO CC(=O)N[C@H](C)C(=O)N(C)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001378137894 888041246 /nfs/dbraw/zinc/04/12/46/888041246.db2.gz LVVZXYZQRXYFAO-PSASIEDQSA-N 1 2 270.333 -1.471 20 0 CAADLO Cn1ncc(CCC(=O)N[C@@H]2CC[N@H+](CC(N)=O)C2)n1 ZINC001378120391 888041403 /nfs/dbraw/zinc/04/14/03/888041403.db2.gz CCYJISGQDWYKHR-SNVBAGLBSA-N 1 2 280.332 -1.577 20 0 CAADLO Cn1ncc(CCC(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C2)n1 ZINC001378120391 888041413 /nfs/dbraw/zinc/04/14/13/888041413.db2.gz CCYJISGQDWYKHR-SNVBAGLBSA-N 1 2 280.332 -1.577 20 0 CAADLO CCN(C(=O)CN1CCOCC1)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001378185947 888042708 /nfs/dbraw/zinc/04/27/08/888042708.db2.gz CZBDEUVTMRMGCQ-GFCCVEGCSA-N 1 2 298.387 -1.273 20 0 CAADLO CCN(C(=O)CN1CCOCC1)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001378185947 888042719 /nfs/dbraw/zinc/04/27/19/888042719.db2.gz CZBDEUVTMRMGCQ-GFCCVEGCSA-N 1 2 298.387 -1.273 20 0 CAADLO CC[C@@H](CNC(=O)[C@H](C)NC(N)=O)[NH2+]Cc1nnn(C)n1 ZINC001378229844 888044503 /nfs/dbraw/zinc/04/45/03/888044503.db2.gz DFFGHYMXVQIKKF-YUMQZZPRSA-N 1 2 298.351 -1.749 20 0 CAADLO CCN(C(=O)CNC(=O)C1CC1)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001378180469 888045496 /nfs/dbraw/zinc/04/54/96/888045496.db2.gz QIVMSCKRZKCEBM-NSHDSACASA-N 1 2 296.371 -1.079 20 0 CAADLO CCN(C(=O)CNC(=O)C1CC1)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001378180469 888045506 /nfs/dbraw/zinc/04/55/06/888045506.db2.gz QIVMSCKRZKCEBM-NSHDSACASA-N 1 2 296.371 -1.079 20 0 CAADLO CC[C@H](CNC(=O)[C@H](C)NC(N)=O)[NH2+]Cc1nnn(C)n1 ZINC001378229839 888046011 /nfs/dbraw/zinc/04/60/11/888046011.db2.gz DFFGHYMXVQIKKF-JGVFFNPUSA-N 1 2 298.351 -1.749 20 0 CAADLO C[C@H](O)C[NH+]1CC(CCO)(NC(=O)[C@H]2COC(=O)N2)C1 ZINC001378278653 888046767 /nfs/dbraw/zinc/04/67/67/888046767.db2.gz IXDHDLSMMHEEOL-DTWKUNHWSA-N 1 2 287.316 -1.971 20 0 CAADLO CCC(=O)NCC(=O)NC1(CCO)C[NH+](C[C@H](C)O)C1 ZINC001378272626 888047105 /nfs/dbraw/zinc/04/71/05/888047105.db2.gz FSMBJWLTYDRXIN-JTQLQIEISA-N 1 2 287.360 -1.554 20 0 CAADLO CCC(=O)NCC(=O)NC[C@@H](CC)[NH2+]Cc1nnn(C)n1 ZINC001378248932 888047428 /nfs/dbraw/zinc/04/74/28/888047428.db2.gz NFHXEKUDNWVTCO-SECBINFHSA-N 1 2 297.363 -1.279 20 0 CAADLO Cn1cnc(C(=O)NC2(CCO)C[NH+](CCCO)C2)n1 ZINC001378287741 888047622 /nfs/dbraw/zinc/04/76/22/888047622.db2.gz RLSOYFFFQADOMG-UHFFFAOYSA-N 1 2 283.332 -1.636 20 0 CAADLO CC[C@@H](CNC(=O)[C@@H](C)CC(N)=O)[NH2+]Cc1nnn(C)n1 ZINC001378290416 888048218 /nfs/dbraw/zinc/04/82/18/888048218.db2.gz QJYDFIOYZMFXHQ-IUCAKERBSA-N 1 2 297.363 -1.294 20 0 CAADLO NC(=O)[C@@H]1CC[C@H]1C(=O)NC1(CCO)C[NH+](CCCO)C1 ZINC001378313863 888050131 /nfs/dbraw/zinc/05/01/31/888050131.db2.gz GLLSODZIHARGHN-GHMZBOCLSA-N 1 2 299.371 -1.567 20 0 CAADLO CCN1C[C@H](C(=O)NC2(CCO)C[NH+](CCO)C2)CC1=O ZINC001378304403 888050201 /nfs/dbraw/zinc/05/02/01/888050201.db2.gz JPVSEKKUZGMTIA-LLVKDONJSA-N 1 2 299.371 -1.600 20 0 CAADLO O=C(Cn1ccccc1=O)NC1(CCO)C[NH+](CCO)C1 ZINC001378357261 888051000 /nfs/dbraw/zinc/05/10/00/888051000.db2.gz RVSYRTOVTWQARI-UHFFFAOYSA-N 1 2 295.339 -1.606 20 0 CAADLO C[C@@H](O)C[NH+]1CC(CCO)(NC(=O)c2cn(C)c(=O)[nH]2)C1 ZINC001378345124 888051080 /nfs/dbraw/zinc/05/10/80/888051080.db2.gz ZSDMDLVIFUDGIY-SECBINFHSA-N 1 2 298.343 -1.327 20 0 CAADLO CC[C@@H](CNC(=O)Cn1cncn1)[NH2+]Cc1nnn(C)n1 ZINC001378325139 888051167 /nfs/dbraw/zinc/05/11/67/888051167.db2.gz JMLPVEUECJDZKV-VIFPVBQESA-N 1 2 293.335 -1.514 20 0 CAADLO CCN1C[C@@H](C(=O)NC2(CCO)C[NH+](CCO)C2)CC1=O ZINC001378304410 888051187 /nfs/dbraw/zinc/05/11/87/888051187.db2.gz JPVSEKKUZGMTIA-NSHDSACASA-N 1 2 299.371 -1.600 20 0 CAADLO CC[NH+]1CC(CCO)(NC(=O)CNS(=O)(=O)NC)C1 ZINC001378311520 888051772 /nfs/dbraw/zinc/05/17/72/888051772.db2.gz XDEUKQVVLVEKAE-UHFFFAOYSA-N 1 2 294.377 -2.387 20 0 CAADLO NC(=O)NCCC(=O)NC1(CCO)C[NH+](CCO)C1 ZINC001378358259 888053311 /nfs/dbraw/zinc/05/33/11/888053311.db2.gz XJUHABOSNAOGMS-UHFFFAOYSA-N 1 2 274.321 -2.410 20 0 CAADLO Cc1nnc(CC(=O)N[C@@H](C)C2C[NH+]([C@H](C)C(N)=O)C2)[nH]1 ZINC001378511313 888055699 /nfs/dbraw/zinc/05/56/99/888055699.db2.gz LRGJEALDIWEZOH-JGVFFNPUSA-N 1 2 294.359 -1.034 20 0 CAADLO C[C@H](NC(N)=O)C(=O)N[C@@H](C)C1C[NH+](CC(N)=O)C1 ZINC001378494908 888056089 /nfs/dbraw/zinc/05/60/89/888056089.db2.gz ILDGAOVORMOGDO-BQBZGAKWSA-N 1 2 271.321 -2.035 20 0 CAADLO C[C@@H](NC(=O)[C@H](C)NC(N)=O)C1C[NH+](CC(N)=O)C1 ZINC001378494916 888056254 /nfs/dbraw/zinc/05/62/54/888056254.db2.gz ILDGAOVORMOGDO-RQJHMYQMSA-N 1 2 271.321 -2.035 20 0 CAADLO CC[NH+]1CC(CCO)(NC(=O)c2cn(C)c(=O)n2C)C1 ZINC001378364874 888056410 /nfs/dbraw/zinc/05/64/10/888056410.db2.gz YFFDGGJZJIFPES-UHFFFAOYSA-N 1 2 282.344 -1.090 20 0 CAADLO CNC(=O)C[NH+]1CC([C@H](C)NC(=O)CO[C@@H]2CCOC2)C1 ZINC001378516071 888056763 /nfs/dbraw/zinc/05/67/63/888056763.db2.gz RSGCQHUIQVRHMY-CMPLNLGQSA-N 1 2 299.371 -1.026 20 0 CAADLO C[C@@H](NC(=O)CCc1cnn(C)n1)C1C[NH+](CC(N)=O)C1 ZINC001378542001 888058442 /nfs/dbraw/zinc/05/84/42/888058442.db2.gz QVEWCJIYIFSOJC-SECBINFHSA-N 1 2 294.359 -1.331 20 0 CAADLO CCNC(=O)C[NH+]1CC([C@@H](C)NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001378553463 888058907 /nfs/dbraw/zinc/05/89/07/888058907.db2.gz JFERTDGLHXBMEP-PSASIEDQSA-N 1 2 297.359 -1.760 20 0 CAADLO CCNC(=O)C[NH+]1CC([C@H](C)NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001378553470 888058997 /nfs/dbraw/zinc/05/89/97/888058997.db2.gz JFERTDGLHXBMEP-WPRPVWTQSA-N 1 2 297.359 -1.760 20 0 CAADLO CCNC(=O)C[NH+]1CC([C@@H](C)NC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001378544360 888059747 /nfs/dbraw/zinc/05/97/47/888059747.db2.gz VNQBUDYZLAUUEJ-IEBDPFPHSA-N 1 2 296.371 -1.320 20 0 CAADLO CCNC(=O)C[NH+]1CC([C@H](C)NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001378553468 888060645 /nfs/dbraw/zinc/06/06/45/888060645.db2.gz JFERTDGLHXBMEP-WCBMZHEXSA-N 1 2 297.359 -1.760 20 0 CAADLO CCS(=O)(=O)CC(=O)N[C@@H](C)C1C[NH+](CCO)C1 ZINC001378588548 888061955 /nfs/dbraw/zinc/06/19/55/888061955.db2.gz QPYKCGWMLIHVFK-VIFPVBQESA-N 1 2 278.374 -1.150 20 0 CAADLO COCC[N@@H+]1CCO[C@@H](CNC(=O)C[C@@H]2CCNC2=O)C1 ZINC001378651740 888062024 /nfs/dbraw/zinc/06/20/24/888062024.db2.gz LTFVQHNQAKFHSG-RYUDHWBXSA-N 1 2 299.371 -1.024 20 0 CAADLO COCC[N@H+]1CCO[C@@H](CNC(=O)C[C@@H]2CCNC2=O)C1 ZINC001378651740 888062038 /nfs/dbraw/zinc/06/20/38/888062038.db2.gz LTFVQHNQAKFHSG-RYUDHWBXSA-N 1 2 299.371 -1.024 20 0 CAADLO CCOCC(=O)NC[C@H]1C[N@H+](C[C@H](O)COC)CCO1 ZINC001378640855 888064665 /nfs/dbraw/zinc/06/46/65/888064665.db2.gz SUHDMNXLXMHAJW-RYUDHWBXSA-N 1 2 290.360 -1.153 20 0 CAADLO CCOCC(=O)NC[C@H]1C[N@@H+](C[C@H](O)COC)CCO1 ZINC001378640855 888064680 /nfs/dbraw/zinc/06/46/80/888064680.db2.gz SUHDMNXLXMHAJW-RYUDHWBXSA-N 1 2 290.360 -1.153 20 0 CAADLO C[C@H](C(N)=O)N1CCO[C@@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001378665140 888065452 /nfs/dbraw/zinc/06/54/52/888065452.db2.gz AYZSKEJQWSKIHB-ZJUUUORDSA-N 1 2 295.343 -1.357 20 0 CAADLO C[C@H](C(N)=O)N1CCO[C@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001378665122 888065963 /nfs/dbraw/zinc/06/59/63/888065963.db2.gz AYZSKEJQWSKIHB-NXEZZACHSA-N 1 2 295.343 -1.357 20 0 CAADLO O=C(C[C@H]1CCC(=O)N1)NC[C@@H]1C[N@H+](CCO)CCO1 ZINC001378671017 888066247 /nfs/dbraw/zinc/06/62/47/888066247.db2.gz LUMSFSDCSQARGY-GHMZBOCLSA-N 1 2 285.344 -1.536 20 0 CAADLO O=C(C[C@H]1CCC(=O)N1)NC[C@@H]1C[N@@H+](CCO)CCO1 ZINC001378671017 888066257 /nfs/dbraw/zinc/06/62/57/888066257.db2.gz LUMSFSDCSQARGY-GHMZBOCLSA-N 1 2 285.344 -1.536 20 0 CAADLO CCNC(=O)C[N@H+](C)CCN(C)C(=O)[C@H]1CCC(=O)N1 ZINC001379037504 888078186 /nfs/dbraw/zinc/07/81/86/888078186.db2.gz WKYCSVWKQKHYPC-SNVBAGLBSA-N 1 2 284.360 -1.209 20 0 CAADLO CCNC(=O)C[N@@H+](C)CCN(C)C(=O)[C@H]1CCC(=O)N1 ZINC001379037504 888078204 /nfs/dbraw/zinc/07/82/04/888078204.db2.gz WKYCSVWKQKHYPC-SNVBAGLBSA-N 1 2 284.360 -1.209 20 0 CAADLO CN(CC[N@H+](C)CC(N)=O)C(=O)CN1CCOCC1 ZINC001379039983 888078477 /nfs/dbraw/zinc/07/84/77/888078477.db2.gz HUNZJQXYAJEHQP-UHFFFAOYSA-N 1 2 272.349 -1.806 20 0 CAADLO CN(CC[N@@H+](C)CC(N)=O)C(=O)CN1CCOCC1 ZINC001379039983 888078491 /nfs/dbraw/zinc/07/84/91/888078491.db2.gz HUNZJQXYAJEHQP-UHFFFAOYSA-N 1 2 272.349 -1.806 20 0 CAADLO CN(CC[N@H+](C)CC(N)=O)C(=O)CCNS(C)(=O)=O ZINC001379047509 888078890 /nfs/dbraw/zinc/07/88/90/888078890.db2.gz AXMZLSFBZBBPLL-UHFFFAOYSA-N 1 2 294.377 -2.199 20 0 CAADLO CN(CC[N@@H+](C)CC(N)=O)C(=O)CCNS(C)(=O)=O ZINC001379047509 888078902 /nfs/dbraw/zinc/07/89/02/888078902.db2.gz AXMZLSFBZBBPLL-UHFFFAOYSA-N 1 2 294.377 -2.199 20 0 CAADLO CN(CC[N@@H+](C)CC(N)=O)C(=O)C[C@H]1CCC(=O)NC1 ZINC001379054784 888081009 /nfs/dbraw/zinc/08/10/09/888081009.db2.gz YWXRJYYMJROBPC-SNVBAGLBSA-N 1 2 284.360 -1.222 20 0 CAADLO CN(CC[N@H+](C)CC(N)=O)C(=O)C[C@H]1CCC(=O)NC1 ZINC001379054784 888080997 /nfs/dbraw/zinc/08/09/97/888080997.db2.gz YWXRJYYMJROBPC-SNVBAGLBSA-N 1 2 284.360 -1.222 20 0 CAADLO CNC(=O)C[N@H+](C)CCN(C)C(=O)c1c[nH]c(C(N)=O)c1 ZINC001379128687 888085426 /nfs/dbraw/zinc/08/54/26/888085426.db2.gz AXCMGXIDAXHTAA-UHFFFAOYSA-N 1 2 295.343 -1.137 20 0 CAADLO CNC(=O)C[N@@H+](C)CCN(C)C(=O)c1c[nH]c(C(N)=O)c1 ZINC001379128687 888085442 /nfs/dbraw/zinc/08/54/42/888085442.db2.gz AXCMGXIDAXHTAA-UHFFFAOYSA-N 1 2 295.343 -1.137 20 0 CAADLO Cc1nnc(C[NH2+]C[C@H](O)CNC(=O)c2ccnn2C)o1 ZINC001379171155 888091417 /nfs/dbraw/zinc/09/14/17/888091417.db2.gz TUGUHLKBQNHOCP-VIFPVBQESA-N 1 2 294.315 -1.008 20 0 CAADLO Cc1cnc(C[NH2+]C[C@@H](O)CNC(=O)c2cn[nH]n2)nc1 ZINC001379208889 888105784 /nfs/dbraw/zinc/10/57/84/888105784.db2.gz RMXVBYPWVIPKAR-SECBINFHSA-N 1 2 291.315 -1.216 20 0 CAADLO Cc1cc(C[NH2+]C[C@@H](O)CNC(=O)c2cn[nH]n2)no1 ZINC001379211860 888105995 /nfs/dbraw/zinc/10/59/95/888105995.db2.gz ZFYMZEZFMZCLIW-SECBINFHSA-N 1 2 280.288 -1.018 20 0 CAADLO Cc1cc(C[NH2+]C[C@@H](O)CNC(=O)c2cnn[nH]2)no1 ZINC001379211860 888105997 /nfs/dbraw/zinc/10/59/97/888105997.db2.gz ZFYMZEZFMZCLIW-SECBINFHSA-N 1 2 280.288 -1.018 20 0 CAADLO Cn1cc(C[NH2+]C[C@H](O)CNC(=O)c2nnc[nH]2)nn1 ZINC001379254730 888115712 /nfs/dbraw/zinc/11/57/12/888115712.db2.gz AEZVQLWVSHXNIV-QMMMGPOBSA-N 1 2 280.292 -2.186 20 0 CAADLO Cn1cc(C[NH2+]C[C@H](O)CNC(=O)c2ncn[nH]2)nn1 ZINC001379254730 888115719 /nfs/dbraw/zinc/11/57/19/888115719.db2.gz AEZVQLWVSHXNIV-QMMMGPOBSA-N 1 2 280.292 -2.186 20 0 CAADLO Cn1cc(C[NH2+]C[C@H](O)CNC(=O)c2nc[nH]n2)nn1 ZINC001379254730 888115726 /nfs/dbraw/zinc/11/57/26/888115726.db2.gz AEZVQLWVSHXNIV-QMMMGPOBSA-N 1 2 280.292 -2.186 20 0 CAADLO Cn1cc(C[NH2+]C[C@@H](O)CNC(=O)c2nnc[nH]2)nn1 ZINC001379254726 888115782 /nfs/dbraw/zinc/11/57/82/888115782.db2.gz AEZVQLWVSHXNIV-MRVPVSSYSA-N 1 2 280.292 -2.186 20 0 CAADLO Cn1cc(C[NH2+]C[C@@H](O)CNC(=O)c2ncn[nH]2)nn1 ZINC001379254726 888115789 /nfs/dbraw/zinc/11/57/89/888115789.db2.gz AEZVQLWVSHXNIV-MRVPVSSYSA-N 1 2 280.292 -2.186 20 0 CAADLO Cn1cc(C[NH2+]C[C@@H](O)CNC(=O)c2nc[nH]n2)nn1 ZINC001379254726 888115794 /nfs/dbraw/zinc/11/57/94/888115794.db2.gz AEZVQLWVSHXNIV-MRVPVSSYSA-N 1 2 280.292 -2.186 20 0 CAADLO C[C@@H](CN(C)C(=O)Cc1ncn[nH]1)[NH2+]CC(=O)N(C)C ZINC001379269322 888118122 /nfs/dbraw/zinc/11/81/22/888118122.db2.gz ULAWADMQKIWQFW-VIFPVBQESA-N 1 2 282.348 -1.128 20 0 CAADLO C[C@H](CN(C)C(=O)Cc1ncn[nH]1)[NH2+]CC(=O)N(C)C ZINC001379269313 888118292 /nfs/dbraw/zinc/11/82/92/888118292.db2.gz ULAWADMQKIWQFW-SECBINFHSA-N 1 2 282.348 -1.128 20 0 CAADLO Cn1nnnc1C[NH2+][C@H](CO)CNC(=O)c1ccoc1 ZINC001379347763 888124073 /nfs/dbraw/zinc/12/40/73/888124073.db2.gz FYNXZDAKDZLQAY-VIFPVBQESA-N 1 2 280.288 -1.316 20 0 CAADLO CC(C)C(=O)NC[C@H](CO)[NH2+][C@H](C)c1nnnn1C ZINC001379350500 888124503 /nfs/dbraw/zinc/12/45/03/888124503.db2.gz NTBGHBCAVYMAEE-RKDXNWHRSA-N 1 2 270.337 -1.006 20 0 CAADLO COCCC(=O)NC[C@H](CO)[NH2+][C@@H](C)c1nncn1C ZINC001379336527 888124682 /nfs/dbraw/zinc/12/46/82/888124682.db2.gz RLIBHKYMOSMFJC-VHSXEESVSA-N 1 2 285.348 -1.021 20 0 CAADLO CC(=O)NCC(=O)NC[C@@H](CO)[NH2+][C@@H](C)c1nncn1C ZINC001379346863 888125012 /nfs/dbraw/zinc/12/50/12/888125012.db2.gz DRWPTGPWORDCSB-WPRPVWTQSA-N 1 2 298.347 -1.921 20 0 CAADLO COCCC(=O)NC[C@@H](CO)[NH2+][C@@H](C)c1nncn1C ZINC001379336526 888125504 /nfs/dbraw/zinc/12/55/04/888125504.db2.gz RLIBHKYMOSMFJC-UWVGGRQHSA-N 1 2 285.348 -1.021 20 0 CAADLO COCC(=O)NC[C@H](CO)[NH2+]Cc1cc(OC)no1 ZINC001379337638 888125580 /nfs/dbraw/zinc/12/55/80/888125580.db2.gz WFYJVFIWJRTFRX-MRVPVSSYSA-N 1 2 273.289 -1.104 20 0 CAADLO Cc1nonc1C[NH2+][C@H](CO)CNC(=O)C1=COCCO1 ZINC001379352776 888126342 /nfs/dbraw/zinc/12/63/42/888126342.db2.gz ALGKPRQCDMKEHE-VIFPVBQESA-N 1 2 298.299 -1.167 20 0 CAADLO COC[C@H](C)C(=O)NC[C@@H](CO)[NH2+]Cc1cnn(C)n1 ZINC001379359876 888128436 /nfs/dbraw/zinc/12/84/36/888128436.db2.gz GLMLGQCFJWVXAP-ONGXEEELSA-N 1 2 285.348 -1.336 20 0 CAADLO COC[C@@H](C)C(=O)NC[C@H](CO)[NH2+]Cc1cnn(C)n1 ZINC001379359874 888128808 /nfs/dbraw/zinc/12/88/08/888128808.db2.gz GLMLGQCFJWVXAP-MWLCHTKSSA-N 1 2 285.348 -1.336 20 0 CAADLO Cc1nnc(C[NH2+]C[C@@H](C)NC(=O)Cn2ncnn2)o1 ZINC001379356967 888128868 /nfs/dbraw/zinc/12/88/68/888128868.db2.gz UOKKNQAZWNJKMF-SSDOTTSWSA-N 1 2 280.292 -1.341 20 0 CAADLO Cn1cnnc1C[NH2+][C@H](CO)CNC(=O)c1ccn[nH]1 ZINC001379360620 888129057 /nfs/dbraw/zinc/12/90/57/888129057.db2.gz JCXNUQCRYVCOBM-QMMMGPOBSA-N 1 2 279.304 -1.581 20 0 CAADLO Cn1[nH]c(C[NH2+][C@H](CO)CNC(=O)c2cocn2)nc1=O ZINC001379373594 888130406 /nfs/dbraw/zinc/13/04/06/888130406.db2.gz ZARYSYKEZKXAFR-ZETCQYMHSA-N 1 2 296.287 -2.023 20 0 CAADLO CCO[C@H](C)C(=O)NC[C@H](CO)[NH2+]Cc1cnn(C)n1 ZINC001379372817 888130608 /nfs/dbraw/zinc/13/06/08/888130608.db2.gz YEAPHXDIBVYPSB-MWLCHTKSSA-N 1 2 285.348 -1.193 20 0 CAADLO CCO[C@@H](C)C(=O)NC[C@@H](CO)[NH2+]Cc1cnn(C)n1 ZINC001379372818 888130866 /nfs/dbraw/zinc/13/08/66/888130866.db2.gz YEAPHXDIBVYPSB-ONGXEEELSA-N 1 2 285.348 -1.193 20 0 CAADLO CO[C@@H](C)C(=O)NC[C@H](CO)[NH2+]Cc1nnnn1C1CC1 ZINC001379365142 888130946 /nfs/dbraw/zinc/13/09/46/888130946.db2.gz RFXBVVBDDYGROX-DTWKUNHWSA-N 1 2 298.347 -1.390 20 0 CAADLO CCn1ncnc1C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCOC1 ZINC001379368855 888131008 /nfs/dbraw/zinc/13/10/08/888131008.db2.gz SDZWIMNRIPEHRC-GHMZBOCLSA-N 1 2 297.359 -1.099 20 0 CAADLO CC[C@H](OC)C(=O)NC[C@H](CO)[NH2+]Cc1ncnn1C ZINC001379368726 888131061 /nfs/dbraw/zinc/13/10/61/888131061.db2.gz QZTFDVAMBBAKMV-ZJUUUORDSA-N 1 2 285.348 -1.193 20 0 CAADLO Cn1cnnc1C[NH2+][C@@H](CO)CNC(=O)[C@H]1COCCO1 ZINC001379365037 888131119 /nfs/dbraw/zinc/13/11/19/888131119.db2.gz PRKCYPZBWSSVQI-NXEZZACHSA-N 1 2 299.331 -2.203 20 0 CAADLO Cc1nnc(C[NH2+][C@H](CO)CNC(=O)[C@H]2CCOC2)[nH]1 ZINC001379365747 888131233 /nfs/dbraw/zinc/13/12/33/888131233.db2.gz OBNRKMYXYAANCE-UWVGGRQHSA-N 1 2 283.332 -1.284 20 0 CAADLO CC[C@H](OC)C(=O)NC[C@@H](CO)[NH2+]Cc1ncnn1C ZINC001379368720 888131429 /nfs/dbraw/zinc/13/14/29/888131429.db2.gz QZTFDVAMBBAKMV-UWVGGRQHSA-N 1 2 285.348 -1.193 20 0 CAADLO CCn1ncnc1C[NH2+][C@H](CO)CNC(=O)[C@H]1CCOC1 ZINC001379368862 888131905 /nfs/dbraw/zinc/13/19/05/888131905.db2.gz SDZWIMNRIPEHRC-QWRGUYRKSA-N 1 2 297.359 -1.099 20 0 CAADLO Cc1nnc(C[NH2+][C@H](CO)CNC(=O)[C@@H]2CCOC2)[nH]1 ZINC001379365757 888131985 /nfs/dbraw/zinc/13/19/85/888131985.db2.gz OBNRKMYXYAANCE-ZJUUUORDSA-N 1 2 283.332 -1.284 20 0 CAADLO Cn1cnnc1C[NH2+][C@@H](CO)CNC(=O)[C@@H]1COCCO1 ZINC001379365058 888132232 /nfs/dbraw/zinc/13/22/32/888132232.db2.gz PRKCYPZBWSSVQI-ZJUUUORDSA-N 1 2 299.331 -2.203 20 0 CAADLO CCn1ncnc1C[NH2+][C@@H](CO)CNC(=O)[C@H]1CCOC1 ZINC001379368864 888132281 /nfs/dbraw/zinc/13/22/81/888132281.db2.gz SDZWIMNRIPEHRC-WDEREUQCSA-N 1 2 297.359 -1.099 20 0 CAADLO Cn1ncnc1C[NH2+][C@@H](CO)CNC(=O)CC(C)(C)O ZINC001379389629 888134219 /nfs/dbraw/zinc/13/42/19/888134219.db2.gz LWVNDVRYBCNFEM-SECBINFHSA-N 1 2 285.348 -1.457 20 0 CAADLO Cc1cc(C[NH2+][C@H](CO)CNC(=O)c2cnnn2C)no1 ZINC001379389820 888135018 /nfs/dbraw/zinc/13/50/18/888135018.db2.gz MKMLAJAZECTIIZ-JTQLQIEISA-N 1 2 294.315 -1.008 20 0 CAADLO CO[C@@H](C(=O)NC[C@@H](CO)[NH2+]Cc1cn(C)nn1)C1CC1 ZINC001379394535 888136402 /nfs/dbraw/zinc/13/64/02/888136402.db2.gz WSPPULCLOZUBCS-NWDGAFQWSA-N 1 2 297.359 -1.193 20 0 CAADLO Cn1[nH]c(C[NH2+][C@@H](CO)CNC(=O)C2(C)CC2)nc1=O ZINC001379401481 888136594 /nfs/dbraw/zinc/13/65/94/888136594.db2.gz RAOSKRVZYPMRDY-MRVPVSSYSA-N 1 2 283.332 -1.525 20 0 CAADLO Cc1nnc(C[NH2+][C@H](CO)CNC(=O)c2cn(C)nn2)[nH]1 ZINC001379398581 888138058 /nfs/dbraw/zinc/13/80/58/888138058.db2.gz UWOKZSGDZAGTQC-QMMMGPOBSA-N 1 2 294.319 -1.878 20 0 CAADLO Cc1nnc(C[NH2+][C@@H](CO)CNC(=O)[C@H](O)C(C)C)[nH]1 ZINC001379396405 888138081 /nfs/dbraw/zinc/13/80/81/888138081.db2.gz MHNKDYFYPWZCOI-MWLCHTKSSA-N 1 2 285.348 -1.303 20 0 CAADLO C[C@H]([NH2+][C@H](CO)CNC(=O)c1ncc[nH]1)c1nnnn1C ZINC001379398421 888138128 /nfs/dbraw/zinc/13/81/28/888138128.db2.gz AJGPQXQUYOWAAZ-YUMQZZPRSA-N 1 2 294.319 -1.625 20 0 CAADLO Cc1conc1C[NH2+][C@@H](CO)CNC(=O)c1cnnn1C ZINC001379395100 888138396 /nfs/dbraw/zinc/13/83/96/888138396.db2.gz YCEHROQKUJBFHW-SECBINFHSA-N 1 2 294.315 -1.008 20 0 CAADLO Cn1ncnc1C[NH2+][C@H](CO)CNC(=O)[C@H]1COC(=O)N1 ZINC001379394657 888138562 /nfs/dbraw/zinc/13/85/62/888138562.db2.gz HRXWOPQRVGVKSL-JGVFFNPUSA-N 1 2 298.303 -2.510 20 0 CAADLO CNC(=O)NCC(=O)NC[C@@H](CO)[NH2+]Cc1cc(C)on1 ZINC001379415413 888139824 /nfs/dbraw/zinc/13/98/24/888139824.db2.gz VUEQRILVZJKXIW-JTQLQIEISA-N 1 2 299.331 -1.521 20 0 CAADLO O=C(NC[C@H](CO)[NH2+]Cc1ccon1)[C@@H]1CCC(=O)NC1 ZINC001379434999 888142636 /nfs/dbraw/zinc/14/26/36/888142636.db2.gz NRJYREXUAZJXSQ-MWLCHTKSSA-N 1 2 296.327 -1.233 20 0 CAADLO Cc1nn[nH]c1C(=O)NC[C@H](CO)[NH2+]Cc1nncn1C ZINC001379445589 888145545 /nfs/dbraw/zinc/14/55/45/888145545.db2.gz GHOBNPDVOQLSSQ-MRVPVSSYSA-N 1 2 294.319 -1.878 20 0 CAADLO Cc1nnc(C[NH2+][C@@H](CO)CNC(=O)c2csnn2)[nH]1 ZINC001379451926 888146113 /nfs/dbraw/zinc/14/61/13/888146113.db2.gz UREHEEIMGMNROJ-SSDOTTSWSA-N 1 2 297.344 -1.155 20 0 CAADLO Cc1nn[nH]c1C(=O)NC[C@@H](CO)[NH2+]Cc1cn(C)nn1 ZINC001379446661 888146646 /nfs/dbraw/zinc/14/66/46/888146646.db2.gz HVBKBNLUCCCGCJ-VIFPVBQESA-N 1 2 294.319 -1.878 20 0 CAADLO Cn1cc(C[NH2+][C@@H](CO)CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)nn1 ZINC001379462315 888147367 /nfs/dbraw/zinc/14/73/67/888147367.db2.gz AOHRQJBUBKNUED-WYUUTHIRSA-N 1 2 295.343 -1.726 20 0 CAADLO C[C@H](CC(N)=O)C(=O)NC[C@@H](CO)[NH2+]Cc1nncn1C ZINC001379469639 888149877 /nfs/dbraw/zinc/14/98/77/888149877.db2.gz TVMIEFHTPPCUSN-BDAKNGLRSA-N 1 2 298.347 -2.107 20 0 CAADLO C[C@H](CNCc1nnn(C)n1)NC(=O)Cn1cc[nH+]c1 ZINC001379480958 888150349 /nfs/dbraw/zinc/15/03/49/888150349.db2.gz LBCRFXACVZUQFJ-SECBINFHSA-N 1 2 278.320 -1.299 20 0 CAADLO O=C(NC[C@H](CO)[NH2+]Cc1cscn1)[C@@H]1CNC(=O)N1 ZINC001379474816 888150838 /nfs/dbraw/zinc/15/08/38/888150838.db2.gz GSCILHZYYHRUQJ-APPZFPTMSA-N 1 2 299.356 -1.609 20 0 CAADLO Cn1nnc(C(=O)NC[C@@H](CO)[NH2+]Cc2ccon2)n1 ZINC001379467698 888150990 /nfs/dbraw/zinc/15/09/90/888150990.db2.gz QFVMVLGWSJKJDU-QMMMGPOBSA-N 1 2 281.276 -1.921 20 0 CAADLO Cc1nc(C[NH2+][C@@H](CO)CNC(=O)c2cnn(C)n2)co1 ZINC001379496668 888154203 /nfs/dbraw/zinc/15/42/03/888154203.db2.gz FHBPPDKOAKMTLD-SECBINFHSA-N 1 2 294.315 -1.008 20 0 CAADLO CC[NH2+][C@H](CO)CNC(=O)Cn1[nH]cc2c(=O)ncnc1-2 ZINC001379497612 888154510 /nfs/dbraw/zinc/15/45/10/888154510.db2.gz HUFXMISTKCKMQK-QMMMGPOBSA-N 1 2 294.315 -1.842 20 0 CAADLO O=C(NC[C@@H](CO)[NH2+]Cc1cscn1)[C@@H]1CCC(=O)N1 ZINC001379503014 888156680 /nfs/dbraw/zinc/15/66/80/888156680.db2.gz GPTCYANSJDOUPX-WPRPVWTQSA-N 1 2 298.368 -1.012 20 0 CAADLO Cc1cc(C[NH2+][C@@H](CO)CNC(=O)c2cnn(C)n2)no1 ZINC001379499181 888156948 /nfs/dbraw/zinc/15/69/48/888156948.db2.gz SBDQHXZHXKUALM-SNVBAGLBSA-N 1 2 294.315 -1.008 20 0 CAADLO Cc1cc(C[NH2+][C@H](CO)CNC(=O)c2cnn(C)n2)no1 ZINC001379499180 888157035 /nfs/dbraw/zinc/15/70/35/888157035.db2.gz SBDQHXZHXKUALM-JTQLQIEISA-N 1 2 294.315 -1.008 20 0 CAADLO Cn1ccc(C[NH2+][C@H](CO)CNC(=O)Cc2nc[nH]n2)n1 ZINC001379510869 888157985 /nfs/dbraw/zinc/15/79/85/888157985.db2.gz TWKYVBGXWHDLCS-JTQLQIEISA-N 1 2 293.331 -1.652 20 0 CAADLO Cn1ncnc1C[NH2+][C@H](CO)CNC(=O)Cc1nc[nH]n1 ZINC001379513793 888160398 /nfs/dbraw/zinc/16/03/98/888160398.db2.gz YCNIFISAVUCHKU-QMMMGPOBSA-N 1 2 294.319 -2.257 20 0 CAADLO Cc1nc[nH]c1C(=O)NC[C@H](CO)[NH2+]Cc1cn(C)nn1 ZINC001379529268 888160419 /nfs/dbraw/zinc/16/04/19/888160419.db2.gz AQJNDUWJPHCNKG-SNVBAGLBSA-N 1 2 293.331 -1.273 20 0 CAADLO Cc1noc(C[NH2+]C[C@H](C)NC(=O)Cn2ncnn2)n1 ZINC001379512546 888161056 /nfs/dbraw/zinc/16/10/56/888161056.db2.gz ZWDMJHWLEFIHBK-ZETCQYMHSA-N 1 2 280.292 -1.341 20 0 CAADLO Cc1nc[nH]c1C(=O)NC[C@@H](CO)[NH2+]Cc1cn(C)nn1 ZINC001379529263 888161477 /nfs/dbraw/zinc/16/14/77/888161477.db2.gz AQJNDUWJPHCNKG-JTQLQIEISA-N 1 2 293.331 -1.273 20 0 CAADLO Cn1ncnc1C[NH2+][C@@H](CO)CNC(=O)Cn1cncn1 ZINC001379523795 888161667 /nfs/dbraw/zinc/16/16/67/888161667.db2.gz CPPSDQQXHRHYOK-SECBINFHSA-N 1 2 294.319 -2.327 20 0 CAADLO CCc1nnc(C[NH2+]C[C@H](C)NC(=O)[C@H]2CNC(=O)N2)o1 ZINC001379548852 888163750 /nfs/dbraw/zinc/16/37/50/888163750.db2.gz QMJCFCSIKRNPEN-JGVFFNPUSA-N 1 2 296.331 -1.092 20 0 CAADLO C[C@@H](C[NH2+]Cc1ncnn1C)NC(=O)Cc1nnc[nH]1 ZINC001379645709 888167838 /nfs/dbraw/zinc/16/78/38/888167838.db2.gz BZUNJHVYBCQFFH-QMMMGPOBSA-N 1 2 278.320 -1.230 20 0 CAADLO C[C@H](C[N@H+](C)Cc1cnnn1C)NC(=O)[C@@H]1CNC(=O)N1 ZINC001379745863 888171811 /nfs/dbraw/zinc/17/18/11/888171811.db2.gz UOXSIHMNPJMLKC-SCZZXKLOSA-N 1 2 295.347 -1.567 20 0 CAADLO C[C@H](C[N@@H+](C)Cc1cnnn1C)NC(=O)[C@@H]1CNC(=O)N1 ZINC001379745863 888171815 /nfs/dbraw/zinc/17/18/15/888171815.db2.gz UOXSIHMNPJMLKC-SCZZXKLOSA-N 1 2 295.347 -1.567 20 0 CAADLO CC(=O)NCC(=O)NC[C@@H]1CC[N@@H+]1[C@H]1CCCNC1=O ZINC001379937539 888182152 /nfs/dbraw/zinc/18/21/52/888182152.db2.gz LJVHXTVXRRLRDZ-QWRGUYRKSA-N 1 2 282.344 -1.408 20 0 CAADLO CC(=O)NCC(=O)NC[C@@H]1CC[N@H+]1[C@H]1CCCNC1=O ZINC001379937539 888182155 /nfs/dbraw/zinc/18/21/55/888182155.db2.gz LJVHXTVXRRLRDZ-QWRGUYRKSA-N 1 2 282.344 -1.408 20 0 CAADLO O=C(CCn1ccnn1)NC[C@H]1CC[N@@H+]1[C@@H]1CCNC1=O ZINC001379949331 888182902 /nfs/dbraw/zinc/18/29/02/888182902.db2.gz DVFIJFWGIKCZFX-GHMZBOCLSA-N 1 2 292.343 -1.253 20 0 CAADLO O=C(CCn1ccnn1)NC[C@H]1CC[N@H+]1[C@@H]1CCNC1=O ZINC001379949331 888182913 /nfs/dbraw/zinc/18/29/13/888182913.db2.gz DVFIJFWGIKCZFX-GHMZBOCLSA-N 1 2 292.343 -1.253 20 0 CAADLO Cn1nnc(C[NH2+]C[C@@H](NC(=O)c2cnon2)C2CC2)n1 ZINC001379932985 888182945 /nfs/dbraw/zinc/18/29/45/888182945.db2.gz ZCINZPCWESQEMB-MRVPVSSYSA-N 1 2 292.303 -1.109 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CC[C@@H]1CNC(=O)CN1CCCC1=O ZINC001379947368 888183298 /nfs/dbraw/zinc/18/32/98/888183298.db2.gz WZTPMONHDCZHJK-NXEZZACHSA-N 1 2 282.344 -1.327 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CC[C@@H]1CNC(=O)CN1CCCC1=O ZINC001379947368 888183303 /nfs/dbraw/zinc/18/33/03/888183303.db2.gz WZTPMONHDCZHJK-NXEZZACHSA-N 1 2 282.344 -1.327 20 0 CAADLO CC(=O)NCC(=O)NC[C@H]1CC[N@@H+]1[C@H]1CCCNC1=O ZINC001379937535 888183217 /nfs/dbraw/zinc/18/32/17/888183217.db2.gz LJVHXTVXRRLRDZ-MNOVXSKESA-N 1 2 282.344 -1.408 20 0 CAADLO CC(=O)NCC(=O)NC[C@H]1CC[N@H+]1[C@H]1CCCNC1=O ZINC001379937535 888183222 /nfs/dbraw/zinc/18/32/22/888183222.db2.gz LJVHXTVXRRLRDZ-MNOVXSKESA-N 1 2 282.344 -1.408 20 0 CAADLO CCC(=O)NCC(=O)NC[C@@H]1CC[N@@H+]1CC(=O)N(C)C ZINC001379945608 888184352 /nfs/dbraw/zinc/18/43/52/888184352.db2.gz ACOUBDLTUUHKIK-JTQLQIEISA-N 1 2 284.360 -1.209 20 0 CAADLO CCC(=O)NCC(=O)NC[C@@H]1CC[N@H+]1CC(=O)N(C)C ZINC001379945608 888184358 /nfs/dbraw/zinc/18/43/58/888184358.db2.gz ACOUBDLTUUHKIK-JTQLQIEISA-N 1 2 284.360 -1.209 20 0 CAADLO CC(=O)NCC(=O)NC[C@@H]1CC[N@@H+]1[C@@H]1CCCNC1=O ZINC001379937544 888184381 /nfs/dbraw/zinc/18/43/81/888184381.db2.gz LJVHXTVXRRLRDZ-WDEREUQCSA-N 1 2 282.344 -1.408 20 0 CAADLO CC(=O)NCC(=O)NC[C@@H]1CC[N@H+]1[C@@H]1CCCNC1=O ZINC001379937544 888184389 /nfs/dbraw/zinc/18/43/89/888184389.db2.gz LJVHXTVXRRLRDZ-WDEREUQCSA-N 1 2 282.344 -1.408 20 0 CAADLO COC[C@@H](O)C[N@@H+]1CC[C@@H]1CNC(=O)C1=NC(=O)N(C)C1 ZINC001380015680 888186442 /nfs/dbraw/zinc/18/64/42/888186442.db2.gz PQSHBZIWUWYSIE-ZJUUUORDSA-N 1 2 298.343 -1.063 20 0 CAADLO COC[C@@H](O)C[N@H+]1CC[C@@H]1CNC(=O)C1=NC(=O)N(C)C1 ZINC001380015680 888186447 /nfs/dbraw/zinc/18/64/47/888186447.db2.gz PQSHBZIWUWYSIE-ZJUUUORDSA-N 1 2 298.343 -1.063 20 0 CAADLO COC[C@H](O)C[N@@H+]1CC[C@H]1CNC(=O)C1=NC(=O)N(C)C1 ZINC001380015677 888187172 /nfs/dbraw/zinc/18/71/72/888187172.db2.gz PQSHBZIWUWYSIE-VHSXEESVSA-N 1 2 298.343 -1.063 20 0 CAADLO COC[C@H](O)C[N@H+]1CC[C@H]1CNC(=O)C1=NC(=O)N(C)C1 ZINC001380015677 888187177 /nfs/dbraw/zinc/18/71/77/888187177.db2.gz PQSHBZIWUWYSIE-VHSXEESVSA-N 1 2 298.343 -1.063 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CC[C@@H]1CNC(=O)CN1CCNC(=O)C1 ZINC001380003655 888187534 /nfs/dbraw/zinc/18/75/34/888187534.db2.gz ZLIXACJNGDNQDZ-VHSXEESVSA-N 1 2 297.359 -2.518 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CC[C@@H]1CNC(=O)CN1CCNC(=O)C1 ZINC001380003655 888187539 /nfs/dbraw/zinc/18/75/39/888187539.db2.gz ZLIXACJNGDNQDZ-VHSXEESVSA-N 1 2 297.359 -2.518 20 0 CAADLO O=C(CCn1cnnn1)NC[C@@H]1CC[N@@H+]1[C@@H]1CCNC1=O ZINC001380026749 888188319 /nfs/dbraw/zinc/18/83/19/888188319.db2.gz ZFUOGUFWCOSUMC-VHSXEESVSA-N 1 2 293.331 -1.858 20 0 CAADLO O=C(CCn1cnnn1)NC[C@@H]1CC[N@H+]1[C@@H]1CCNC1=O ZINC001380026749 888188326 /nfs/dbraw/zinc/18/83/26/888188326.db2.gz ZFUOGUFWCOSUMC-VHSXEESVSA-N 1 2 293.331 -1.858 20 0 CAADLO Cn1nnnc1C[NH2+]C1(CNC(=O)[C@H]2COC(=O)N2)CC1 ZINC001380086024 888191259 /nfs/dbraw/zinc/19/12/59/888191259.db2.gz PWRHBVYFCPUGPU-SSDOTTSWSA-N 1 2 295.303 -1.943 20 0 CAADLO COCC[N@@H+](CCNC(=O)c1ncn(C)n1)CC(N)=O ZINC001380118679 888194442 /nfs/dbraw/zinc/19/44/42/888194442.db2.gz WYZZOZASNXUBEH-UHFFFAOYSA-N 1 2 284.320 -2.021 20 0 CAADLO COCC[N@H+](CCNC(=O)c1n[nH]cc1C)CC(N)=O ZINC001380117001 888194221 /nfs/dbraw/zinc/19/42/21/888194221.db2.gz QNRLHYRGTNQSDO-UHFFFAOYSA-N 1 2 283.332 -1.118 20 0 CAADLO COCC[N@@H+](CCNC(=O)c1n[nH]cc1C)CC(N)=O ZINC001380117001 888194227 /nfs/dbraw/zinc/19/42/27/888194227.db2.gz QNRLHYRGTNQSDO-UHFFFAOYSA-N 1 2 283.332 -1.118 20 0 CAADLO COCC[N@H+](CCNC(=O)c1ncn(C)n1)CC(N)=O ZINC001380118679 888194438 /nfs/dbraw/zinc/19/44/38/888194438.db2.gz WYZZOZASNXUBEH-UHFFFAOYSA-N 1 2 284.320 -2.021 20 0 CAADLO Cn1ncnc1C[NH2+]C1(CNC(=O)[C@H]2CNC(=O)N2)CC1 ZINC001380135019 888194488 /nfs/dbraw/zinc/19/44/88/888194488.db2.gz QZVHQAGWDAUEKA-MRVPVSSYSA-N 1 2 293.331 -1.765 20 0 CAADLO Cn1ncnc1C[NH2+]C1(CNC(=O)[C@@H]2CNC(=O)N2)CC1 ZINC001380135027 888194723 /nfs/dbraw/zinc/19/47/23/888194723.db2.gz QZVHQAGWDAUEKA-QMMMGPOBSA-N 1 2 293.331 -1.765 20 0 CAADLO COCC[N@H+](CCNC(=O)c1c[nH]c(=O)cn1)CC(N)=O ZINC001380105055 888195406 /nfs/dbraw/zinc/19/54/06/888195406.db2.gz LRLIXLIGYGBTOA-UHFFFAOYSA-N 1 2 297.315 -2.067 20 0 CAADLO COCC[N@@H+](CCNC(=O)c1c[nH]c(=O)cn1)CC(N)=O ZINC001380105055 888195414 /nfs/dbraw/zinc/19/54/14/888195414.db2.gz LRLIXLIGYGBTOA-UHFFFAOYSA-N 1 2 297.315 -2.067 20 0 CAADLO COC[C@H](O)C[NH+]1CC(N(C)C(=O)c2nnn(C)c2C)C1 ZINC001380219576 888197264 /nfs/dbraw/zinc/19/72/64/888197264.db2.gz SQEJAMQSYXNTJP-LLVKDONJSA-N 1 2 297.359 -1.113 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(N(C)C(=O)[C@H](C)NC(C)=O)C1 ZINC001380205649 888197306 /nfs/dbraw/zinc/19/73/06/888197306.db2.gz CJUWYMMOPWNNRE-CABZTGNLSA-N 1 2 287.360 -1.339 20 0 CAADLO COCC[NH+]1CC(N(C)C(=O)[C@H](C)NS(C)(=O)=O)C1 ZINC001380245442 888197885 /nfs/dbraw/zinc/19/78/85/888197885.db2.gz RZJHCGJDPSMCMU-VIFPVBQESA-N 1 2 293.389 -1.287 20 0 CAADLO Cc1cnn(CC(=O)NCC2(O)C[NH+](CCCO)C2)c1 ZINC001380566271 888207600 /nfs/dbraw/zinc/20/76/00/888207600.db2.gz DZLUKMCDIRBUIF-UHFFFAOYSA-N 1 2 282.344 -1.263 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)c2n[nH]cc2F)C1 ZINC001380547721 888208900 /nfs/dbraw/zinc/20/89/00/888208900.db2.gz CDHNMEFTKVOHET-LLVKDONJSA-N 1 2 285.279 -1.799 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)c2n[nH]cc2F)C1 ZINC001380547721 888208912 /nfs/dbraw/zinc/20/89/12/888208912.db2.gz CDHNMEFTKVOHET-LLVKDONJSA-N 1 2 285.279 -1.799 20 0 CAADLO O=C(NCC1(O)C[NH+](CCCF)C1)[C@@H]1COCCO1 ZINC001380574813 888214181 /nfs/dbraw/zinc/21/41/81/888214181.db2.gz JGGZNROAVNYZRM-JTQLQIEISA-N 1 2 276.308 -1.076 20 0 CAADLO Cc1cnc(C(=O)NCC2(O)C[NH+](C[C@@H](C)O)C2)cn1 ZINC001380579188 888212683 /nfs/dbraw/zinc/21/26/83/888212683.db2.gz XHFHAACDMCZXHG-SNVBAGLBSA-N 1 2 280.328 -1.058 20 0 CAADLO Cc1cnc(C(=O)NCC2(O)C[NH+](C[C@H](C)O)C2)cn1 ZINC001380579187 888213195 /nfs/dbraw/zinc/21/31/95/888213195.db2.gz XHFHAACDMCZXHG-JTQLQIEISA-N 1 2 280.328 -1.058 20 0 CAADLO C[C@H](O)C[NH+]1CC(O)(CNC(=O)c2cc[nH]c(=O)c2)C1 ZINC001380582582 888214346 /nfs/dbraw/zinc/21/43/46/888214346.db2.gz OCRUMNYSIVRIGN-VIFPVBQESA-N 1 2 281.312 -1.056 20 0 CAADLO CCC(=O)N[C@@H](C)C(=O)NCC1(O)C[NH+](CCCO)C1 ZINC001380593508 888215866 /nfs/dbraw/zinc/21/58/66/888215866.db2.gz FDDVEVQFKCJZNJ-JTQLQIEISA-N 1 2 287.360 -1.554 20 0 CAADLO COc1cnc(C(=O)NCC2(O)C[NH+](CCCO)C2)nc1 ZINC001380597461 888215913 /nfs/dbraw/zinc/21/59/13/888215913.db2.gz CJTNZRYFJKUMEZ-UHFFFAOYSA-N 1 2 296.327 -1.356 20 0 CAADLO CC(=O)N1CC(C(=O)NCC2(O)C[NH+](CCCO)C2)C1 ZINC001380587062 888216034 /nfs/dbraw/zinc/21/60/34/888216034.db2.gz CTFGIDVLORRALY-UHFFFAOYSA-N 1 2 285.344 -1.990 20 0 CAADLO COC[C@H](O)C[NH+]1CC(O)(CNC(=O)c2cc[nH]c2)C1 ZINC001380593564 888216909 /nfs/dbraw/zinc/21/69/09/888216909.db2.gz GHAGNBHKYLFWQV-LLVKDONJSA-N 1 2 283.328 -1.202 20 0 CAADLO C[C@@H](O)C[NH+]1CC(O)(CNC(=O)Cc2ccn(C)n2)C1 ZINC001380596342 888217332 /nfs/dbraw/zinc/21/73/32/888217332.db2.gz JGNFZOQKMYQHGY-SNVBAGLBSA-N 1 2 282.344 -1.494 20 0 CAADLO COC[C@H](O)C[NH+]1CC(O)(CNC(=O)c2cncnc2)C1 ZINC001380590548 888217084 /nfs/dbraw/zinc/21/70/84/888217084.db2.gz SYIDNXUTKBBKPG-LLVKDONJSA-N 1 2 296.327 -1.740 20 0 CAADLO C[C@H](O)C[NH+]1CC(O)(CNC(=O)Cc2ccn(C)n2)C1 ZINC001380596340 888217836 /nfs/dbraw/zinc/21/78/36/888217836.db2.gz JGNFZOQKMYQHGY-JTQLQIEISA-N 1 2 282.344 -1.494 20 0 CAADLO CC[NH+]1CC(O)(CNC(=O)CCS(=O)(=O)NC)C1 ZINC001380596868 888217970 /nfs/dbraw/zinc/21/79/70/888217970.db2.gz PMBYJBCTNVHAPE-UHFFFAOYSA-N 1 2 279.362 -1.892 20 0 CAADLO CCC(=O)N[C@H](C)C(=O)NCC1(O)C[NH+](CCCO)C1 ZINC001380593509 888218061 /nfs/dbraw/zinc/21/80/61/888218061.db2.gz FDDVEVQFKCJZNJ-SNVBAGLBSA-N 1 2 287.360 -1.554 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(O)(CNC(=O)c2cc[nH]c2)C1 ZINC001380593567 888218079 /nfs/dbraw/zinc/21/80/79/888218079.db2.gz GHAGNBHKYLFWQV-NSHDSACASA-N 1 2 283.328 -1.202 20 0 CAADLO COC[C@@H](C)[NH+]1CC(O)(CNC(=O)[C@@H]2CCNC(=O)C2)C1 ZINC001380584293 888218279 /nfs/dbraw/zinc/21/82/79/888218279.db2.gz ZQZHDWDSCMLMNA-GHMZBOCLSA-N 1 2 299.371 -1.290 20 0 CAADLO CNC(=O)NCC(=O)NCC1(O)C[NH+]([C@H](C)COC)C1 ZINC001380597118 888218647 /nfs/dbraw/zinc/21/86/47/888218647.db2.gz HCDCUXFHHZXDFQ-SECBINFHSA-N 1 2 288.348 -1.887 20 0 CAADLO CC[NH+]1CC(O)(CNC(=O)[C@@H]2CCc3nnnn3CC2)C1 ZINC001380625295 888219405 /nfs/dbraw/zinc/21/94/05/888219405.db2.gz RYGCQRSRSALCSY-SNVBAGLBSA-N 1 2 294.359 -1.192 20 0 CAADLO C[C@@H]1CO[C@@H](C(=O)NCC2(O)C[NH+](CCCO)C2)C1 ZINC001380607103 888220001 /nfs/dbraw/zinc/22/00/01/888220001.db2.gz OOPHXOWJDOHBII-WDEREUQCSA-N 1 2 272.345 -1.043 20 0 CAADLO O=C(C[C@@H]1CCCC(=O)N1)NCC1(O)C[NH+](CCCO)C1 ZINC001380603121 888220215 /nfs/dbraw/zinc/22/02/15/888220215.db2.gz ZTAHZBRKYRKZMA-NSHDSACASA-N 1 2 299.371 -1.410 20 0 CAADLO CC[NH+]1CC(O)(CNC(=O)[C@H]2CCc3nnnn3CC2)C1 ZINC001380625293 888220561 /nfs/dbraw/zinc/22/05/61/888220561.db2.gz RYGCQRSRSALCSY-JTQLQIEISA-N 1 2 294.359 -1.192 20 0 CAADLO CC[NH+]1CC(O)(CNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001380616437 888220727 /nfs/dbraw/zinc/22/07/27/888220727.db2.gz SVGICRFVWVARDK-DTWKUNHWSA-N 1 2 271.317 -1.798 20 0 CAADLO C[C@H](O)C[NH+]1CC(O)(CNC(=O)C[C@@H]2CCC(=O)NC2)C1 ZINC001380626569 888221057 /nfs/dbraw/zinc/22/10/57/888221057.db2.gz QEQKOBXWAKUIGH-QWRGUYRKSA-N 1 2 299.371 -1.554 20 0 CAADLO C[C@H](O)C[NH+]1CC(O)(CNC(=O)c2cnc3n2CCC3)C1 ZINC001380599371 888221807 /nfs/dbraw/zinc/22/18/07/888221807.db2.gz CMKOFIVTDMKZSE-JTQLQIEISA-N 1 2 294.355 -1.013 20 0 CAADLO C[C@H](O)C[NH+]1CC(O)(CNC(=O)CCc2cnn(C)c2)C1 ZINC001380647788 888222312 /nfs/dbraw/zinc/22/23/12/888222312.db2.gz DCSBTFWXHGMXPS-NSHDSACASA-N 1 2 296.371 -1.104 20 0 CAADLO COC[C@H](O)C[NH+]1CC(O)(CNC(=O)c2cnn(C)n2)C1 ZINC001380627313 888222458 /nfs/dbraw/zinc/22/24/58/888222458.db2.gz BRQVFJIXLOQHJC-SECBINFHSA-N 1 2 299.331 -2.401 20 0 CAADLO COCc1nocc1C(=O)NCC1(O)C[NH+](CCCO)C1 ZINC001380634171 888224282 /nfs/dbraw/zinc/22/42/82/888224282.db2.gz OFXAIIKXORUNKW-UHFFFAOYSA-N 1 2 299.327 -1.020 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(O)(CNC(=O)c2cccnn2)C1 ZINC001380630295 888225259 /nfs/dbraw/zinc/22/52/59/888225259.db2.gz DHHWFKBRNVWIIJ-JTQLQIEISA-N 1 2 296.327 -1.740 20 0 CAADLO O=C(Cn1ccccc1=O)NCC1(O)C[NH+](CCCO)C1 ZINC001380648742 888225291 /nfs/dbraw/zinc/22/52/91/888225291.db2.gz CXZLJQXISVITRR-UHFFFAOYSA-N 1 2 295.339 -1.606 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@@](CO)(NC(=O)C[C@H]2CCCO2)C1 ZINC001380738480 888227276 /nfs/dbraw/zinc/22/72/76/888227276.db2.gz XXMRJPHGOIYBMX-BXUZGUMPSA-N 1 2 299.371 -1.016 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@@](CO)(NC(=O)C[C@H]2CCCO2)C1 ZINC001380738480 888227285 /nfs/dbraw/zinc/22/72/85/888227285.db2.gz XXMRJPHGOIYBMX-BXUZGUMPSA-N 1 2 299.371 -1.016 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@](CO)(NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001380748999 888228485 /nfs/dbraw/zinc/22/84/85/888228485.db2.gz MYSHNKCYMWRUDL-UFBFGSQYSA-N 1 2 299.331 -2.904 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@](CO)(NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001380748999 888228495 /nfs/dbraw/zinc/22/84/95/888228495.db2.gz MYSHNKCYMWRUDL-UFBFGSQYSA-N 1 2 299.331 -2.904 20 0 CAADLO COC(=O)NCC(=O)NC[C@H]1COCC[N@@H+]1C[C@@H](C)O ZINC001380818724 888233560 /nfs/dbraw/zinc/23/35/60/888233560.db2.gz VOEPUAUPUYSIMH-ZJUUUORDSA-N 1 2 289.332 -1.460 20 0 CAADLO COC(=O)NCC(=O)NC[C@H]1COCC[N@H+]1C[C@@H](C)O ZINC001380818724 888233570 /nfs/dbraw/zinc/23/35/70/888233570.db2.gz VOEPUAUPUYSIMH-ZJUUUORDSA-N 1 2 289.332 -1.460 20 0 CAADLO CC[NH+]1CC2(C1)C[C@@H](NC(=O)CNC(=O)NC)CO2 ZINC001381013238 888239164 /nfs/dbraw/zinc/23/91/64/888239164.db2.gz PDYXWPRDSAUIAV-SECBINFHSA-N 1 2 270.333 -1.105 20 0 CAADLO CCC(=O)NCC(=O)NC[C@@H]1CCC2(C[NH+](CCO)C2)O1 ZINC001380997109 888241029 /nfs/dbraw/zinc/24/10/29/888241029.db2.gz AELANJRDCKTMOQ-NSHDSACASA-N 1 2 299.371 -1.146 20 0 CAADLO CC(=O)N1CC(CCO)(NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001380965970 888241718 /nfs/dbraw/zinc/24/17/18/888241718.db2.gz ANHZZWKWWUFNFQ-NSHDSACASA-N 1 2 285.344 -1.584 20 0 CAADLO CC(=O)N1CC(CCO)(NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001380965970 888241730 /nfs/dbraw/zinc/24/17/30/888241730.db2.gz ANHZZWKWWUFNFQ-NSHDSACASA-N 1 2 285.344 -1.584 20 0 CAADLO NC(=O)c1ncn(CC(=O)N2CC[NH+](CCO)CC2)n1 ZINC001381090265 888244317 /nfs/dbraw/zinc/24/43/17/888244317.db2.gz YICUKOYPHMFNQP-UHFFFAOYSA-N 1 2 282.304 -2.487 20 0 CAADLO NC(=O)C[NH+]1CCC(CO)(NC(=O)c2ncc[nH]2)CC1 ZINC001381244545 888250076 /nfs/dbraw/zinc/25/00/76/888250076.db2.gz UJOYNOWGDVXWNW-UHFFFAOYSA-N 1 2 281.316 -1.548 20 0 CAADLO C[C@@H](NC(=O)c1cnnn1C)[C@@H](C)[NH2+]Cc1nnn(C)n1 ZINC001381361546 888253075 /nfs/dbraw/zinc/25/30/75/888253075.db2.gz JRDMJOXUVNJUHN-HTQZYQBOSA-N 1 2 293.335 -1.365 20 0 CAADLO O=C(CCc1ccncn1)NC1(CCO)C[NH+](CCO)C1 ZINC001381663552 888260933 /nfs/dbraw/zinc/26/09/33/888260933.db2.gz WSYRYJOJHZMGPL-UHFFFAOYSA-N 1 2 294.355 -1.046 20 0 CAADLO C[C@@H](O)CN1CC(CCO)(NC(=O)Cn2cc[nH+]c2)C1 ZINC001381684087 888261431 /nfs/dbraw/zinc/26/14/31/888261431.db2.gz DUTBSHBIZORXBU-LLVKDONJSA-N 1 2 282.344 -1.183 20 0 CAADLO CN1C(=O)CC[C@H]1C(=O)NC1(CCO)C[NH+](CCCO)C1 ZINC001381684977 888262727 /nfs/dbraw/zinc/26/27/27/888262727.db2.gz UEYHXTUOBNCYAN-NSHDSACASA-N 1 2 299.371 -1.457 20 0 CAADLO C[C@@H](O)C[NH+]1CC(CCO)(NC(=O)[C@@H]2COCCO2)C1 ZINC001381632574 888262857 /nfs/dbraw/zinc/26/28/57/888262857.db2.gz CVTSILYGSAIFEA-MNOVXSKESA-N 1 2 288.344 -1.664 20 0 CAADLO O=C(NC1(CCO)C[NH+](CCO)C1)c1ccc(=O)[nH]c1 ZINC001381685786 888263464 /nfs/dbraw/zinc/26/34/64/888263464.db2.gz HMVGTJMIZXDYPC-UHFFFAOYSA-N 1 2 281.312 -1.054 20 0 CAADLO C[C@@H](O)C[NH+]1CC(CCO)(NC(=O)[C@H]2COCCO2)C1 ZINC001381632572 888263781 /nfs/dbraw/zinc/26/37/81/888263781.db2.gz CVTSILYGSAIFEA-GHMZBOCLSA-N 1 2 288.344 -1.664 20 0 CAADLO COCC[NH+]1CC(CCO)(NC(=O)[C@H]2CCC(=O)N2)C1 ZINC001381653167 888263817 /nfs/dbraw/zinc/26/38/17/888263817.db2.gz YTTFRVWFIBAUCE-SNVBAGLBSA-N 1 2 285.344 -1.536 20 0 CAADLO CC[NH+]1CC(CCO)(NC(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001381692771 888265213 /nfs/dbraw/zinc/26/52/13/888265213.db2.gz UIHYPOJXOCHALG-UHFFFAOYSA-N 1 2 296.327 -1.328 20 0 CAADLO C[C@H](NC(=O)C[C@H]1CCCC(=O)N1)C1C[NH+](CC(N)=O)C1 ZINC001381796867 888265570 /nfs/dbraw/zinc/26/55/70/888265570.db2.gz BZQJLLHEGKZUEF-GXSJLCMTSA-N 1 2 296.371 -1.033 20 0 CAADLO C[C@H](NC(=O)[C@H]1CCCO1)C1C[NH+](CC(=O)NC(N)=O)C1 ZINC001381772650 888266357 /nfs/dbraw/zinc/26/63/57/888266357.db2.gz WQDHQFNICBCDCJ-WCBMZHEXSA-N 1 2 298.343 -1.203 20 0 CAADLO C[C@H](NC(=O)c1cn[nH]c1)C1C[NH+](CC(=O)NC(N)=O)C1 ZINC001381792942 888266505 /nfs/dbraw/zinc/26/65/05/888266505.db2.gz TZGGEACAEPCLNU-ZETCQYMHSA-N 1 2 294.315 -1.345 20 0 CAADLO C[C@@H](NC(=O)C[C@H]1COC(=O)C1)C1C[NH+](CC(N)=O)C1 ZINC001381783827 888266863 /nfs/dbraw/zinc/26/68/63/888266863.db2.gz GFIUMRPUJSQYKL-RKDXNWHRSA-N 1 2 283.328 -1.139 20 0 CAADLO CNC(=O)C[NH+]1CC([C@@H](C)NC(=O)[C@H](C)CC(N)=O)C1 ZINC001381806095 888267051 /nfs/dbraw/zinc/26/70/51/888267051.db2.gz QEDRQWQPOQKMIB-RKDXNWHRSA-N 1 2 284.360 -1.320 20 0 CAADLO C[C@H](CC(=O)N[C@@H](C)C1C[NH+](CC(N)=O)C1)NC(N)=O ZINC001381778001 888267090 /nfs/dbraw/zinc/26/70/90/888267090.db2.gz NGXKOCFURTWTEI-SFYZADRCSA-N 1 2 285.348 -1.645 20 0 CAADLO CNC(=O)C[NH+]1CC([C@@H](C)NC(=O)[C@@H](C)CC(N)=O)C1 ZINC001381806092 888267734 /nfs/dbraw/zinc/26/77/34/888267734.db2.gz QEDRQWQPOQKMIB-DTWKUNHWSA-N 1 2 284.360 -1.320 20 0 CAADLO C[C@@H](NC(=O)[C@H]1CCCO1)C1C[NH+](CC(=O)NC(N)=O)C1 ZINC001381771971 888267450 /nfs/dbraw/zinc/26/74/50/888267450.db2.gz WQDHQFNICBCDCJ-PSASIEDQSA-N 1 2 298.343 -1.203 20 0 CAADLO C[C@@H](CC(=O)N[C@@H](C)C1C[NH+](CC(N)=O)C1)NC(N)=O ZINC001381778003 888267506 /nfs/dbraw/zinc/26/75/06/888267506.db2.gz NGXKOCFURTWTEI-YUMQZZPRSA-N 1 2 285.348 -1.645 20 0 CAADLO CCNC(=O)C[NH+]1CC([C@H](C)NC(=O)c2nnn(C)n2)C1 ZINC001381802316 888267757 /nfs/dbraw/zinc/26/77/57/888267757.db2.gz KFBPXLPCPDFOFW-QMMMGPOBSA-N 1 2 295.347 -1.604 20 0 CAADLO CCC[NH+]1CC(CCO)(NC(=O)CS(=O)(=O)NC)C1 ZINC001381698239 888268402 /nfs/dbraw/zinc/26/84/02/888268402.db2.gz MEIGGIZLALWPOJ-UHFFFAOYSA-N 1 2 293.389 -1.501 20 0 CAADLO C[C@@H](NC(=O)C[C@@H]1COC(=O)C1)C1C[NH+](CC(N)=O)C1 ZINC001381783807 888268638 /nfs/dbraw/zinc/26/86/38/888268638.db2.gz GFIUMRPUJSQYKL-BDAKNGLRSA-N 1 2 283.328 -1.139 20 0 CAADLO NC(=O)NCCC(=O)NC1(CCO)C[NH+](CCCO)C1 ZINC001381692505 888268883 /nfs/dbraw/zinc/26/88/83/888268883.db2.gz QEJZBPQQEJPVGT-UHFFFAOYSA-N 1 2 288.348 -2.020 20 0 CAADLO CNC(=O)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)Cc1ncn[nH]1 ZINC001382031938 888276460 /nfs/dbraw/zinc/27/64/60/888276460.db2.gz MLJZUPUTOMAMMN-JTQLQIEISA-N 1 2 294.359 -1.080 20 0 CAADLO CC(=O)N[C@H](C)C(=O)NC[C@@H](CO)[NH2+]Cc1nonc1C ZINC001382169504 888279060 /nfs/dbraw/zinc/27/90/60/888279060.db2.gz CJHDSQOCWMLHAC-SCZZXKLOSA-N 1 2 299.331 -1.531 20 0 CAADLO CC(=O)NC[C@H](CO)[NH2+]Cc1cn(C[C@@H]2CCOC2)nn1 ZINC001382168558 888279341 /nfs/dbraw/zinc/27/93/41/888279341.db2.gz OWQDJYMHPOIYPU-WCQYABFASA-N 1 2 297.359 -1.099 20 0 CAADLO Cn1nnnc1C[NH2+][C@H](CO)CNC(=O)c1ccncc1 ZINC001382171858 888281565 /nfs/dbraw/zinc/28/15/65/888281565.db2.gz KBIKAJKKJCQHHT-JTQLQIEISA-N 1 2 291.315 -1.514 20 0 CAADLO CC[C@@H](C)C(=O)NC[C@@H](CO)[NH2+]Cc1nnnn1C ZINC001382179404 888284637 /nfs/dbraw/zinc/28/46/37/888284637.db2.gz QBWJKXCTKCKAMG-BDAKNGLRSA-N 1 2 270.337 -1.177 20 0 CAADLO CC[C@H](C)C(=O)NC[C@@H](CO)[NH2+]Cc1nnnn1C ZINC001382179419 888286126 /nfs/dbraw/zinc/28/61/26/888286126.db2.gz QBWJKXCTKCKAMG-IUCAKERBSA-N 1 2 270.337 -1.177 20 0 CAADLO CC[C@H](OC)C(=O)NC[C@H](CO)[NH2+]Cc1nnnn1C ZINC001382179400 888286338 /nfs/dbraw/zinc/28/63/38/888286338.db2.gz DIZOUQMNTOERNM-BDAKNGLRSA-N 1 2 286.336 -1.798 20 0 CAADLO Cc1nnc(C[NH2+][C@H](CO)CNC(=O)c2cocn2)[nH]1 ZINC001382184306 888289386 /nfs/dbraw/zinc/28/93/86/888289386.db2.gz NYMNFDCWFBJNSR-QMMMGPOBSA-N 1 2 280.288 -1.018 20 0 CAADLO Cn1ncnc1C[NH2+][C@@H](CO)CNC(=O)[C@H]1COCCO1 ZINC001382185402 888290003 /nfs/dbraw/zinc/29/00/03/888290003.db2.gz KBLUHTBYXODLBM-NXEZZACHSA-N 1 2 299.331 -2.203 20 0 CAADLO Cn1ncnc1C[NH2+][C@H](CO)CNC(=O)[C@H]1COCCO1 ZINC001382185420 888290235 /nfs/dbraw/zinc/29/02/35/888290235.db2.gz KBLUHTBYXODLBM-VHSXEESVSA-N 1 2 299.331 -2.203 20 0 CAADLO Cn1ncc(C[NH2+][C@H](CO)CNC(=O)[C@H]2COCCO2)n1 ZINC001382185287 888290917 /nfs/dbraw/zinc/29/09/17/888290917.db2.gz JWHAHTAPEXFFFD-WDEREUQCSA-N 1 2 299.331 -2.203 20 0 CAADLO Cn1cnnc1C[NH2+][C@H](CO)CNC(=O)c1cnnn1C ZINC001382188528 888293325 /nfs/dbraw/zinc/29/33/25/888293325.db2.gz KLKQUOQYWSPIOB-QMMMGPOBSA-N 1 2 294.319 -2.176 20 0 CAADLO Cn1ncnc1C[NH2+][C@@H](CO)CNC(=O)C[C@@H]1CCOC1 ZINC001382193764 888294239 /nfs/dbraw/zinc/29/42/39/888294239.db2.gz OALGZILSKKCERO-WDEREUQCSA-N 1 2 297.359 -1.192 20 0 CAADLO Cn1ncc(C[NH2+][C@@H](CO)CNC(=O)c2ccnn2C)n1 ZINC001382188403 888295116 /nfs/dbraw/zinc/29/51/16/888295116.db2.gz LQAWLFTUQWKAQP-SNVBAGLBSA-N 1 2 293.331 -1.571 20 0 CAADLO Cn1ncc(C[NH2+][C@H](CO)CNC(=O)c2ccnn2C)n1 ZINC001382188402 888295337 /nfs/dbraw/zinc/29/53/37/888295337.db2.gz LQAWLFTUQWKAQP-JTQLQIEISA-N 1 2 293.331 -1.571 20 0 CAADLO Cn1nnnc1C[NH2+][C@@H](CO)CNC(=O)c1ccn[nH]1 ZINC001382188789 888295369 /nfs/dbraw/zinc/29/53/69/888295369.db2.gz RYJPNFYHIHKGLJ-SSDOTTSWSA-N 1 2 280.292 -2.186 20 0 CAADLO Cn1nnnc1C[NH2+][C@H](CO)CNC(=O)c1ccn[nH]1 ZINC001382188791 888295709 /nfs/dbraw/zinc/29/57/09/888295709.db2.gz RYJPNFYHIHKGLJ-ZETCQYMHSA-N 1 2 280.292 -2.186 20 0 CAADLO Cn1[nH]c(C[NH2+][C@@H](CO)CNC(=O)[C@@H]2CC2(C)C)nc1=O ZINC001382191436 888295795 /nfs/dbraw/zinc/29/57/95/888295795.db2.gz KWLLZBJSOYGILO-BDAKNGLRSA-N 1 2 297.359 -1.279 20 0 CAADLO Cn1ncc(C(=O)NC[C@H](CO)[NH2+]Cc2ccon2)c1N ZINC001382190332 888295963 /nfs/dbraw/zinc/29/59/63/888295963.db2.gz IYRDUKZBRVDFQF-SECBINFHSA-N 1 2 294.315 -1.129 20 0 CAADLO Cc1ocnc1C(=O)NC[C@H](CO)[NH2+]Cc1nncn1C ZINC001382189146 888296719 /nfs/dbraw/zinc/29/67/19/888296719.db2.gz MCZVRLYEDWWBRM-SECBINFHSA-N 1 2 294.315 -1.008 20 0 CAADLO Cn1[nH]c(C[NH2+][C@H](CO)CNC(=O)[C@@H]2CC2(C)C)nc1=O ZINC001382191440 888296773 /nfs/dbraw/zinc/29/67/73/888296773.db2.gz KWLLZBJSOYGILO-IUCAKERBSA-N 1 2 297.359 -1.279 20 0 CAADLO CO[C@@H](C)CC(=O)NC[C@@H](CO)[NH2+]Cc1cn(C)nn1 ZINC001382188385 888296858 /nfs/dbraw/zinc/29/68/58/888296858.db2.gz VEXYHJKUNMWJOV-ONGXEEELSA-N 1 2 285.348 -1.193 20 0 CAADLO Cn1nnnc1C[NH2+][C@@H](CO)CNC(=O)[C@]12C[C@H]1COC2 ZINC001382202511 888297644 /nfs/dbraw/zinc/29/76/44/888297644.db2.gz AXTGLDMRADOKFK-SBMIAAHKSA-N 1 2 296.331 -2.187 20 0 CAADLO Cn1cnc(C(=O)NC[C@@H](CO)[NH2+]Cc2cnn(C)n2)n1 ZINC001382199222 888298455 /nfs/dbraw/zinc/29/84/55/888298455.db2.gz AXIUXWCFKMNBAO-VIFPVBQESA-N 1 2 294.319 -2.176 20 0 CAADLO Cn1nnnc1C[NH2+][C@H](CO)CNC(=O)[C@]12C[C@H]1COC2 ZINC001382202509 888298819 /nfs/dbraw/zinc/29/88/19/888298819.db2.gz AXTGLDMRADOKFK-AUTRQRHGSA-N 1 2 296.331 -2.187 20 0 CAADLO Cn1ncnc1C[NH2+][C@@H](CO)CNC(=O)[C@H]1CCCCO1 ZINC001382201993 888299892 /nfs/dbraw/zinc/29/98/92/888299892.db2.gz YCXUPGGZFKRCPE-GHMZBOCLSA-N 1 2 297.359 -1.049 20 0 CAADLO Cn1cnnc1C[NH2+][C@H](CO)CNC(=O)CC1(O)CCC1 ZINC001382201551 888301288 /nfs/dbraw/zinc/30/12/88/888301288.db2.gz ISVUNZHSZAQYTD-JTQLQIEISA-N 1 2 297.359 -1.313 20 0 CAADLO Cn1nnnc1C[NH2+][C@@H](CO)CNC(=O)c1ccns1 ZINC001382217872 888304137 /nfs/dbraw/zinc/30/41/37/888304137.db2.gz ZUDAVYFRRXBFSV-SSDOTTSWSA-N 1 2 297.344 -1.453 20 0 CAADLO Cn1nnnc1C[NH2+][C@H](CO)CNC(=O)c1ccns1 ZINC001382217884 888305164 /nfs/dbraw/zinc/30/51/64/888305164.db2.gz ZUDAVYFRRXBFSV-ZETCQYMHSA-N 1 2 297.344 -1.453 20 0 CAADLO Cn1nnnc1C[NH2+][C@H](CO)CNC(=O)C1(C2CC2)CC1 ZINC001382215546 888305755 /nfs/dbraw/zinc/30/57/55/888305755.db2.gz UIOGVYNOVZKYEI-JTQLQIEISA-N 1 2 294.359 -1.033 20 0 CAADLO Cn1nnnc1C[NH2+][C@H](CO)CNC(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC001382236008 888307965 /nfs/dbraw/zinc/30/79/65/888307965.db2.gz LCVURUTWAYORFY-ZDCRXTMVSA-N 1 2 294.359 -1.177 20 0 CAADLO Cn1cc(C[NH2+][C@H](CO)CNC(=O)c2cncn2C)nn1 ZINC001382227629 888308125 /nfs/dbraw/zinc/30/81/25/888308125.db2.gz MVISKYQLGRWJQK-JTQLQIEISA-N 1 2 293.331 -1.571 20 0 CAADLO Cc1nonc1C[NH2+][C@H](CO)CNC(=O)c1cncn1C ZINC001382228025 888308402 /nfs/dbraw/zinc/30/84/02/888308402.db2.gz OTZKLASJIPNHKC-VIFPVBQESA-N 1 2 294.315 -1.008 20 0 CAADLO Cc1nocc1C(=O)NC[C@H](CO)[NH2+]Cc1nncn1C ZINC001382237369 888309334 /nfs/dbraw/zinc/30/93/34/888309334.db2.gz QINCMJHWHDQWSF-SECBINFHSA-N 1 2 294.315 -1.008 20 0 CAADLO Cn1cc(C[NH2+][C@@H](CO)CNC(=O)c2csnn2)nn1 ZINC001382238371 888311251 /nfs/dbraw/zinc/31/12/51/888311251.db2.gz PMZORRJWHMJKKW-MRVPVSSYSA-N 1 2 297.344 -1.453 20 0 CAADLO Cc1conc1C[NH2+][C@@H](CO)CNC(=O)c1cnn(C)n1 ZINC001382247930 888313732 /nfs/dbraw/zinc/31/37/32/888313732.db2.gz CSBJDJDTSQPQLW-SECBINFHSA-N 1 2 294.315 -1.008 20 0 CAADLO Cn1ncc(C[NH2+][C@H](CO)CNC(=O)[C@H]2C[C@H]2C(N)=O)n1 ZINC001382248227 888315339 /nfs/dbraw/zinc/31/53/39/888315339.db2.gz KWZPRFZSFVHFBT-AEJSXWLSSA-N 1 2 296.331 -2.497 20 0 CAADLO Cn1cc(C[NH2+][C@@H](CO)CNC(=O)C[C@H]2CCOC2)nn1 ZINC001382258070 888316775 /nfs/dbraw/zinc/31/67/75/888316775.db2.gz UONJVXBUDJQJAD-ZYHUDNBSSA-N 1 2 297.359 -1.192 20 0 CAADLO Cc1c[nH]c(C(=O)NC[C@H](CO)[NH2+]Cc2cnn(C)n2)n1 ZINC001382255266 888317121 /nfs/dbraw/zinc/31/71/21/888317121.db2.gz NRCQRLSIHROXNJ-SNVBAGLBSA-N 1 2 293.331 -1.273 20 0 CAADLO Cn1cnnc1CN[C@H](CO)CNC(=O)Cn1cc[nH+]c1 ZINC001382289561 888326920 /nfs/dbraw/zinc/32/69/20/888326920.db2.gz QOPMHPOQIOMNJL-JTQLQIEISA-N 1 2 293.331 -1.722 20 0 CAADLO O=C(Cc1[nH]cc[nH+]1)N[C@H](CO)CNC(=O)c1ccn[nH]1 ZINC001382340375 888336124 /nfs/dbraw/zinc/33/61/24/888336124.db2.gz XEAGGICKQWIYMZ-QMMMGPOBSA-N 1 2 292.299 -1.418 20 0 CAADLO CC(=O)NCC(=O)N(C)C[C@@H](O)C[NH2+]Cc1nc(C)no1 ZINC001382374711 888338307 /nfs/dbraw/zinc/33/83/07/888338307.db2.gz AUHOTLPKISRBNN-JTQLQIEISA-N 1 2 299.331 -1.577 20 0 CAADLO O=C(Cn1cc[nH+]c1)N[C@H](CO)CNC(=O)c1cocn1 ZINC001382355127 888340152 /nfs/dbraw/zinc/34/01/52/888340152.db2.gz DQZBAYKDNNRIIT-VIFPVBQESA-N 1 2 293.283 -1.222 20 0 CAADLO CC(=O)NCC(=O)N(C)C[C@H](O)C[NH2+]Cc1nc(C)no1 ZINC001382374716 888340222 /nfs/dbraw/zinc/34/02/22/888340222.db2.gz AUHOTLPKISRBNN-SNVBAGLBSA-N 1 2 299.331 -1.577 20 0 CAADLO COCC(=O)N(C)C[C@H](O)C[NH2+]Cc1nnc(C)o1 ZINC001382392945 888343482 /nfs/dbraw/zinc/34/34/82/888343482.db2.gz XWLMHBOCYPRUAF-SECBINFHSA-N 1 2 272.305 -1.067 20 0 CAADLO COCC(=O)N(C)C[C@@H](O)C[NH2+]Cc1nnc(C)o1 ZINC001382392946 888347083 /nfs/dbraw/zinc/34/70/83/888347083.db2.gz XWLMHBOCYPRUAF-VIFPVBQESA-N 1 2 272.305 -1.067 20 0 CAADLO Cc1nn[nH]c1C(=O)N(C)C[C@H](O)C[N@@H+](C)[C@H](C)C(N)=O ZINC001382479931 888367341 /nfs/dbraw/zinc/36/73/41/888367341.db2.gz WDTJWFYNOROPBW-RKDXNWHRSA-N 1 2 298.347 -1.648 20 0 CAADLO Cc1nn[nH]c1C(=O)N(C)C[C@H](O)C[N@H+](C)[C@H](C)C(N)=O ZINC001382479931 888367359 /nfs/dbraw/zinc/36/73/59/888367359.db2.gz WDTJWFYNOROPBW-RKDXNWHRSA-N 1 2 298.347 -1.648 20 0 CAADLO Cc1nn[nH]c1C(=O)N(C)C[C@H](O)C[N@@H+](C)[C@@H](C)C(N)=O ZINC001382479922 888367528 /nfs/dbraw/zinc/36/75/28/888367528.db2.gz WDTJWFYNOROPBW-DTWKUNHWSA-N 1 2 298.347 -1.648 20 0 CAADLO Cc1nn[nH]c1C(=O)N(C)C[C@H](O)C[N@H+](C)[C@@H](C)C(N)=O ZINC001382479922 888367545 /nfs/dbraw/zinc/36/75/45/888367545.db2.gz WDTJWFYNOROPBW-DTWKUNHWSA-N 1 2 298.347 -1.648 20 0 CAADLO CC(C)N(CC[N@H+](C)CC(N)=O)C(=O)[C@@H]1CCC(=O)N1 ZINC001382503829 888368561 /nfs/dbraw/zinc/36/85/61/888368561.db2.gz ADDHJRKHWWFGKC-JTQLQIEISA-N 1 2 284.360 -1.081 20 0 CAADLO CC(C)N(CC[N@@H+](C)CC(N)=O)C(=O)[C@@H]1CCC(=O)N1 ZINC001382503829 888368573 /nfs/dbraw/zinc/36/85/73/888368573.db2.gz ADDHJRKHWWFGKC-JTQLQIEISA-N 1 2 284.360 -1.081 20 0 CAADLO COCC[N@H+](CCNC(=O)c1nonc1C)[C@@H](C)C(N)=O ZINC001382552561 888371640 /nfs/dbraw/zinc/37/16/40/888371640.db2.gz BKFNLJMDRDYNQU-VIFPVBQESA-N 1 2 299.331 -1.070 20 0 CAADLO COCC[N@@H+](CCNC(=O)c1nonc1C)[C@@H](C)C(N)=O ZINC001382552561 888371652 /nfs/dbraw/zinc/37/16/52/888371652.db2.gz BKFNLJMDRDYNQU-VIFPVBQESA-N 1 2 299.331 -1.070 20 0 CAADLO COCC[N@H+](CCNC(=O)c1c(C)cnn1C)CC(N)=O ZINC001382570284 888371881 /nfs/dbraw/zinc/37/18/81/888371881.db2.gz FETWHSVVWYETCD-UHFFFAOYSA-N 1 2 297.359 -1.108 20 0 CAADLO COCC[N@@H+](CCNC(=O)c1c(C)cnn1C)CC(N)=O ZINC001382570284 888371894 /nfs/dbraw/zinc/37/18/94/888371894.db2.gz FETWHSVVWYETCD-UHFFFAOYSA-N 1 2 297.359 -1.108 20 0 CAADLO CC(C)(O)CC(=O)N[C@@H](CO)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001382577461 888372237 /nfs/dbraw/zinc/37/22/37/888372237.db2.gz IOQUTBNREHNYDS-SECBINFHSA-N 1 2 298.343 -1.294 20 0 CAADLO CO[C@@H](C)CC(=O)N[C@H](CO)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001382659624 888376838 /nfs/dbraw/zinc/37/68/38/888376838.db2.gz QOOAMKQHIBVZNJ-ONGXEEELSA-N 1 2 298.343 -1.030 20 0 CAADLO COCCC(=O)N(C)C[C@H](O)CNC(=O)Cn1cc[nH+]c1 ZINC001382886575 888377861 /nfs/dbraw/zinc/37/78/61/888377861.db2.gz LVYHLPQNOKRLTN-LLVKDONJSA-N 1 2 298.343 -1.145 20 0 CAADLO CO[C@H](C)C(=O)N(C)C[C@@H](O)CNC(=O)Cn1cc[nH+]c1 ZINC001382948673 888382047 /nfs/dbraw/zinc/38/20/47/888382047.db2.gz RFISLBXSDASKJS-MNOVXSKESA-N 1 2 298.343 -1.147 20 0 CAADLO CCOCC(=O)NC[C@@H](O)CN(C)C(=O)Cn1cc[nH+]c1 ZINC001383028010 888383464 /nfs/dbraw/zinc/38/34/64/888383464.db2.gz XWKNUTCIJRWIBX-LLVKDONJSA-N 1 2 298.343 -1.145 20 0 CAADLO COCC(=O)N(C)C[C@@H](O)CN(C)C(=O)Cn1cc[nH+]c1 ZINC001383107484 888387748 /nfs/dbraw/zinc/38/77/48/888387748.db2.gz XVKJKDZUUAMHFA-NSHDSACASA-N 1 2 298.343 -1.193 20 0 CAADLO C[C@@H](CN(C)C(=O)Cn1cc[nH+]c1)NC(=O)CNC(N)=O ZINC001383749900 888389260 /nfs/dbraw/zinc/38/92/60/888389260.db2.gz HELIFNZCJYELSF-VIFPVBQESA-N 1 2 296.331 -1.486 20 0 CAADLO COCC(=O)NC[C@@H](CO)NC(=O)CCc1[nH]cc[nH+]1 ZINC001383849621 888393847 /nfs/dbraw/zinc/39/38/47/888393847.db2.gz ASFWULBNEFRXIL-VIFPVBQESA-N 1 2 284.316 -1.418 20 0 CAADLO CC(C)(O)CC(=O)N[C@H](CO)CNC(=O)Cn1cc[nH+]c1 ZINC001383955823 888409443 /nfs/dbraw/zinc/40/94/43/888409443.db2.gz SPNKJLFRRXOVFR-JTQLQIEISA-N 1 2 298.343 -1.363 20 0 CAADLO COCC(=O)N[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1O ZINC001383991129 888411223 /nfs/dbraw/zinc/41/12/23/888411223.db2.gz OZFNPWWYNGLPBT-GHMZBOCLSA-N 1 2 296.327 -1.393 20 0 CAADLO O=C(Cn1cc[nH+]c1)N[C@@H](CO)CNC(=O)c1cnco1 ZINC001383983716 888411673 /nfs/dbraw/zinc/41/16/73/888411673.db2.gz SMRZEIZCNDIMNY-SECBINFHSA-N 1 2 293.283 -1.222 20 0 CAADLO O=C(Cn1cc[nH+]c1)N[C@H](CO)CNC(=O)c1cnco1 ZINC001383983874 888411706 /nfs/dbraw/zinc/41/17/06/888411706.db2.gz SMRZEIZCNDIMNY-VIFPVBQESA-N 1 2 293.283 -1.222 20 0 CAADLO O=C(Cc1[nH]cc[nH+]1)NC[C@H](CO)NC(=O)c1cn[nH]c1 ZINC001384008655 888413786 /nfs/dbraw/zinc/41/37/86/888413786.db2.gz WXRBACVPHJYEIP-SECBINFHSA-N 1 2 292.299 -1.418 20 0 CAADLO CO[C@H](C)CC(=O)N[C@H](CO)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001384002228 888414105 /nfs/dbraw/zinc/41/41/05/888414105.db2.gz AVFZYIICAWQOFJ-ZJUUUORDSA-N 1 2 298.343 -1.030 20 0 CAADLO CO[C@@H](C)C(=O)N[C@@H](CO)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001384004993 888414154 /nfs/dbraw/zinc/41/41/54/888414154.db2.gz PTLMRSNSHHWZSE-DTWKUNHWSA-N 1 2 284.316 -1.420 20 0 CAADLO COCC(=O)N[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1O ZINC001384194058 888420398 /nfs/dbraw/zinc/42/03/98/888420398.db2.gz DNYRAEAFAWOXFA-ZJUUUORDSA-N 1 2 282.300 -1.714 20 0 CAADLO COCC(=O)NC[C@@H](O)CN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001384258180 888425476 /nfs/dbraw/zinc/42/54/76/888425476.db2.gz TVSLQYTXVQZNSC-SECBINFHSA-N 1 2 284.316 -1.466 20 0 CAADLO COCC(=O)N[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1O ZINC001384805866 888433468 /nfs/dbraw/zinc/43/34/68/888433468.db2.gz RNEHWDSPEOIVFM-ZJUUUORDSA-N 1 2 282.300 -1.783 20 0 CAADLO CCOCC(=O)N[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1O ZINC001384808528 888433610 /nfs/dbraw/zinc/43/36/10/888433610.db2.gz ZFIZPSRYCIUONK-MNOVXSKESA-N 1 2 296.327 -1.323 20 0 CAADLO CC(=O)NCC(=O)N1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001385049235 888436339 /nfs/dbraw/zinc/43/63/39/888436339.db2.gz LBRROBSTYOZQMT-UHFFFAOYSA-N 1 2 293.327 -1.241 20 0 CAADLO NC(=O)NCC(=O)N[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001385330425 888438855 /nfs/dbraw/zinc/43/88/55/888438855.db2.gz AAYVYPLVQODTIU-MRVPVSSYSA-N 1 2 294.315 -1.662 20 0 CAADLO NC(=O)NCC(=O)N1CC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001385678361 888446301 /nfs/dbraw/zinc/44/63/01/888446301.db2.gz OMZFSYMEBBJFIY-SECBINFHSA-N 1 2 294.315 -1.732 20 0 CAADLO NC(=O)NCC(=O)N1CC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001385678367 888446518 /nfs/dbraw/zinc/44/65/18/888446518.db2.gz OMZFSYMEBBJFIY-VIFPVBQESA-N 1 2 294.315 -1.732 20 0 CAADLO CC(=O)NCC(=O)N[C@H]1C[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001385969364 888448835 /nfs/dbraw/zinc/44/88/35/888448835.db2.gz PCLSMBRAKITOCV-AOOOYVTPSA-N 1 2 293.327 -1.148 20 0 CAADLO C[C@@H](CNC(=O)Cn1cc[nH+]c1)NC(=O)c1cnnn1C ZINC001386337626 888460354 /nfs/dbraw/zinc/46/03/54/888460354.db2.gz MNSPYBFLSARYHW-VIFPVBQESA-N 1 2 291.315 -1.054 20 0 CAADLO C[C@@H](CNC(=O)c1ncn(C)n1)NC(=O)Cn1cc[nH+]c1 ZINC001386755392 888467723 /nfs/dbraw/zinc/46/77/23/888467723.db2.gz FTOXDQFIFKQNFM-VIFPVBQESA-N 1 2 291.315 -1.054 20 0 CAADLO CN(CCNC(=O)[C@H]1COC(=O)N1)C(=O)Cc1[nH]cc[nH+]1 ZINC001386869181 888473817 /nfs/dbraw/zinc/47/38/17/888473817.db2.gz ZFVZLUXZJPLHOL-MRVPVSSYSA-N 1 2 295.299 -1.365 20 0 CAADLO CN(CCNC(=O)Cn1ncnn1)C(=O)Cn1cc[nH+]c1 ZINC001386899207 888474094 /nfs/dbraw/zinc/47/40/94/888474094.db2.gz ALGGTEDKHYASKT-UHFFFAOYSA-N 1 2 292.303 -1.856 20 0 CAADLO CN(CCNC(=O)[C@@H]1COC(=O)N1)C(=O)Cc1[nH]cc[nH+]1 ZINC001386869182 888474379 /nfs/dbraw/zinc/47/43/79/888474379.db2.gz ZFVZLUXZJPLHOL-QMMMGPOBSA-N 1 2 295.299 -1.365 20 0 CAADLO CN(CCNC(=O)[C@H]1CCC(=O)N1)C(=O)Cc1c[nH+]c[nH]1 ZINC001386827961 888474682 /nfs/dbraw/zinc/47/46/82/888474682.db2.gz HRMIXRZGPBAUGS-SNVBAGLBSA-N 1 2 293.327 -1.195 20 0 CAADLO C[C@H](CNC(=O)Cn1cc[nH+]c1)NC(=O)c1cn(C)nn1 ZINC001386911672 888476081 /nfs/dbraw/zinc/47/60/81/888476081.db2.gz ZOVOTPKSFZXDAJ-SECBINFHSA-N 1 2 291.315 -1.054 20 0 CAADLO C[C@H](CNC(=O)Cn1cc[nH+]c1)NC(=O)c1nnn(C)n1 ZINC001386909839 888476354 /nfs/dbraw/zinc/47/63/54/888476354.db2.gz NNGRNCNHYSGHLW-MRVPVSSYSA-N 1 2 292.303 -1.659 20 0 CAADLO C[C@H](CNC(=O)Cc1[nH]cc[nH+]1)NC(=O)Cn1nccn1 ZINC001387071908 888479310 /nfs/dbraw/zinc/47/93/10/888479310.db2.gz LXNVXMRZVJIWKL-SECBINFHSA-N 1 2 291.315 -1.135 20 0 CAADLO C[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)NC(=O)Cn1nccn1 ZINC001387071910 888479667 /nfs/dbraw/zinc/47/96/67/888479667.db2.gz LXNVXMRZVJIWKL-VIFPVBQESA-N 1 2 291.315 -1.135 20 0 CAADLO CN(CCNC(=O)c1nnn(C)n1)C(=O)Cc1[nH]cc[nH+]1 ZINC001387041288 888479794 /nfs/dbraw/zinc/47/97/94/888479794.db2.gz FZGCOXZHXSZEQQ-UHFFFAOYSA-N 1 2 292.303 -1.636 20 0 CAADLO CN(CCNC(=O)Cc1c[nH]c[nH+]1)C(=O)CCNC(N)=O ZINC001387131656 888482933 /nfs/dbraw/zinc/48/29/33/888482933.db2.gz BJWIRSVXRUAXJJ-UHFFFAOYSA-N 1 2 296.331 -1.415 20 0 CAADLO CC(=O)N(C)CC[NH+]1CCN(C(=O)[C@H]2CCC(=O)N2)CC1 ZINC001387591322 888485746 /nfs/dbraw/zinc/48/57/46/888485746.db2.gz BLCPDOXSPZLEPY-GFCCVEGCSA-N 1 2 296.371 -1.113 20 0 CAADLO CC(=O)NCC(=O)NC1CN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001387692099 888491036 /nfs/dbraw/zinc/49/10/36/888491036.db2.gz RZTWDQKFQSCIBX-UHFFFAOYSA-N 1 2 293.327 -1.195 20 0 CAADLO CCC(=O)NCC(=O)NC1CN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001387715864 888494048 /nfs/dbraw/zinc/49/40/48/888494048.db2.gz YYOUJOWXCUVYPG-UHFFFAOYSA-N 1 2 293.327 -1.195 20 0 CAADLO C[C@H](CC(N)=O)C(=O)NC1CN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001387784384 888495552 /nfs/dbraw/zinc/49/55/52/888495552.db2.gz CONNRIWFHDLYAA-MRVPVSSYSA-N 1 2 293.327 -1.209 20 0 CAADLO CCC(=O)NCC(=O)N1CC(NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001387830752 888498814 /nfs/dbraw/zinc/49/88/14/888498814.db2.gz KIJNRPFVMUYORJ-UHFFFAOYSA-N 1 2 293.327 -1.195 20 0 CAADLO CN(C[C@H]1CC[N@@H+]1[C@@H]1CCNC1=O)C(=O)Cc1nnc[nH]1 ZINC001388651862 888508303 /nfs/dbraw/zinc/50/83/03/888508303.db2.gz GPDRLEFRYCTBQD-NXEZZACHSA-N 1 2 292.343 -1.232 20 0 CAADLO CN(C[C@H]1CC[N@H+]1[C@@H]1CCNC1=O)C(=O)Cc1nnc[nH]1 ZINC001388651862 888508306 /nfs/dbraw/zinc/50/83/06/888508306.db2.gz GPDRLEFRYCTBQD-NXEZZACHSA-N 1 2 292.343 -1.232 20 0 CAADLO CN(C[C@@H]1CC[N@@H+]1[C@H]1CCNC1=O)C(=O)Cc1nnc[nH]1 ZINC001388651900 888508903 /nfs/dbraw/zinc/50/89/03/888508903.db2.gz GPDRLEFRYCTBQD-UWVGGRQHSA-N 1 2 292.343 -1.232 20 0 CAADLO CN(C[C@@H]1CC[N@H+]1[C@H]1CCNC1=O)C(=O)Cc1nnc[nH]1 ZINC001388651900 888508915 /nfs/dbraw/zinc/50/89/15/888508915.db2.gz GPDRLEFRYCTBQD-UWVGGRQHSA-N 1 2 292.343 -1.232 20 0 CAADLO CCNC(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)CCNC(N)=O ZINC001388662059 888508936 /nfs/dbraw/zinc/50/89/36/888508936.db2.gz YSLYUUKBXNNABC-SNVBAGLBSA-N 1 2 299.375 -1.286 20 0 CAADLO CCNC(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)CCNC(N)=O ZINC001388662059 888508953 /nfs/dbraw/zinc/50/89/53/888508953.db2.gz YSLYUUKBXNNABC-SNVBAGLBSA-N 1 2 299.375 -1.286 20 0 CAADLO CC(=O)N(C)CC[NH+]1CCN(C(=O)Cn2cncn2)CC1 ZINC001388783899 888513413 /nfs/dbraw/zinc/51/34/13/888513413.db2.gz RYYLFBAZUYPKLV-UHFFFAOYSA-N 1 2 294.359 -1.099 20 0 CAADLO CCOCC(=O)NC[C@@H](O)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001389058340 888520015 /nfs/dbraw/zinc/52/00/15/888520015.db2.gz KINZFIGJIZLNKC-JTQLQIEISA-N 1 2 284.316 -1.418 20 0 CAADLO CC[C@@H](OC)C(=O)NC[C@H](O)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001389083358 888527412 /nfs/dbraw/zinc/52/74/12/888527412.db2.gz YPXMZCJMLJGAJG-GHMZBOCLSA-N 1 2 298.343 -1.030 20 0 CAADLO CC[C@H](OC)C(=O)NC[C@@H](O)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001389083366 888527511 /nfs/dbraw/zinc/52/75/11/888527511.db2.gz YPXMZCJMLJGAJG-QWRGUYRKSA-N 1 2 298.343 -1.030 20 0 CAADLO C[C@H](CNC(=O)Cn1nccn1)NC(=O)Cn1cc[nH+]c1 ZINC001389213347 888536043 /nfs/dbraw/zinc/53/60/43/888536043.db2.gz JMDYESGORWGSME-SNVBAGLBSA-N 1 2 291.315 -1.204 20 0 CAADLO CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)[C@H]2COC(=O)N2)C1 ZINC001389358196 888541271 /nfs/dbraw/zinc/54/12/71/888541271.db2.gz LPSQUDBDGZTRBE-VHSXEESVSA-N 1 2 298.343 -1.189 20 0 CAADLO CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)[C@H]2COC(=O)N2)C1 ZINC001389358196 888541285 /nfs/dbraw/zinc/54/12/85/888541285.db2.gz LPSQUDBDGZTRBE-VHSXEESVSA-N 1 2 298.343 -1.189 20 0 CAADLO CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2COC(=O)N2)C1 ZINC001389358193 888541544 /nfs/dbraw/zinc/54/15/44/888541544.db2.gz LPSQUDBDGZTRBE-UWVGGRQHSA-N 1 2 298.343 -1.189 20 0 CAADLO CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2COC(=O)N2)C1 ZINC001389358193 888541556 /nfs/dbraw/zinc/54/15/56/888541556.db2.gz LPSQUDBDGZTRBE-UWVGGRQHSA-N 1 2 298.343 -1.189 20 0 CAADLO CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2COC(=O)N2)C1 ZINC001389358200 888542710 /nfs/dbraw/zinc/54/27/10/888542710.db2.gz LPSQUDBDGZTRBE-ZJUUUORDSA-N 1 2 298.343 -1.189 20 0 CAADLO CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2COC(=O)N2)C1 ZINC001389358200 888542721 /nfs/dbraw/zinc/54/27/21/888542721.db2.gz LPSQUDBDGZTRBE-ZJUUUORDSA-N 1 2 298.343 -1.189 20 0 CAADLO CC(=O)NCC(=O)N1CC(NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001389344629 888542908 /nfs/dbraw/zinc/54/29/08/888542908.db2.gz LCPNEESWJOICFR-UHFFFAOYSA-N 1 2 293.327 -1.276 20 0 CAADLO C[C@H](C(N)=O)[NH+]1CCN(CCNC(=O)c2ccon2)CC1 ZINC001389412989 888544455 /nfs/dbraw/zinc/54/44/55/888544455.db2.gz VEEAJLZSRMJMJR-SNVBAGLBSA-N 1 2 295.343 -1.104 20 0 CAADLO C[C@@H](CNC(=O)[C@H]1C[C@H]1C(N)=O)NC(=O)Cn1cc[nH+]c1 ZINC001389416112 888545262 /nfs/dbraw/zinc/54/52/62/888545262.db2.gz FFXGVGSCQPNITA-AEJSXWLSSA-N 1 2 293.327 -1.375 20 0 CAADLO C[C@@H](CNC(=O)c1cnnn1C)NC(=O)Cn1cc[nH+]c1 ZINC001389420324 888545565 /nfs/dbraw/zinc/54/55/65/888545565.db2.gz XJWGODOCEGPULS-VIFPVBQESA-N 1 2 291.315 -1.054 20 0 CAADLO CC(=O)NCC(=O)N1CC(NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001389385612 888546422 /nfs/dbraw/zinc/54/64/22/888546422.db2.gz NTINXYHNWAODKQ-UHFFFAOYSA-N 1 2 279.300 -1.585 20 0 CAADLO CCCC(=O)NCC[NH+]1CCN(CC(=O)NC(N)=O)CC1 ZINC001389392532 888546774 /nfs/dbraw/zinc/54/67/74/888546774.db2.gz YPUUOVBPPDKJSN-UHFFFAOYSA-N 1 2 299.375 -1.285 20 0 CAADLO CNC(=O)NCC(=O)N[C@H]1CC[N@H+](Cc2cnnn2C)C1 ZINC001389455892 888548407 /nfs/dbraw/zinc/54/84/07/888548407.db2.gz PCXKOEFVYLYWIF-VIFPVBQESA-N 1 2 295.347 -1.565 20 0 CAADLO CNC(=O)NCC(=O)N[C@H]1CC[N@@H+](Cc2cnnn2C)C1 ZINC001389455892 888548419 /nfs/dbraw/zinc/54/84/19/888548419.db2.gz PCXKOEFVYLYWIF-VIFPVBQESA-N 1 2 295.347 -1.565 20 0 CAADLO CCCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001389480423 888548458 /nfs/dbraw/zinc/54/84/58/888548458.db2.gz LNTZVNJNUXYFIY-ZJUUUORDSA-N 1 2 297.359 -1.616 20 0 CAADLO CCCNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001389480423 888548475 /nfs/dbraw/zinc/54/84/75/888548475.db2.gz LNTZVNJNUXYFIY-ZJUUUORDSA-N 1 2 297.359 -1.616 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)CNC(=O)OC)C1 ZINC001389463580 888548810 /nfs/dbraw/zinc/54/88/10/888548810.db2.gz YHRSUEMQMIUXTG-QMMMGPOBSA-N 1 2 272.305 -1.721 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)CNC(=O)OC)C1 ZINC001389463580 888548817 /nfs/dbraw/zinc/54/88/17/888548817.db2.gz YHRSUEMQMIUXTG-QMMMGPOBSA-N 1 2 272.305 -1.721 20 0 CAADLO O=C(CCc1nnc[nH]1)N[C@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001389461089 888549943 /nfs/dbraw/zinc/54/99/43/888549943.db2.gz YOKGLOFHECXNRN-VHSXEESVSA-N 1 2 292.343 -1.184 20 0 CAADLO O=C(CCc1nnc[nH]1)N[C@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001389461089 888549953 /nfs/dbraw/zinc/54/99/53/888549953.db2.gz YOKGLOFHECXNRN-VHSXEESVSA-N 1 2 292.343 -1.184 20 0 CAADLO Cc1c[nH]c(C(=O)N[C@@H]2CC[N@H+](CC(=O)NC(N)=O)C2)n1 ZINC001389481713 888551015 /nfs/dbraw/zinc/55/10/15/888551015.db2.gz BHGMOAMTXDYDDN-MRVPVSSYSA-N 1 2 294.315 -1.283 20 0 CAADLO Cc1c[nH]c(C(=O)N[C@@H]2CC[N@@H+](CC(=O)NC(N)=O)C2)n1 ZINC001389481713 888551028 /nfs/dbraw/zinc/55/10/28/888551028.db2.gz BHGMOAMTXDYDDN-MRVPVSSYSA-N 1 2 294.315 -1.283 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CNC(=O)OC)C1 ZINC001389463567 888551072 /nfs/dbraw/zinc/55/10/72/888551072.db2.gz YHRSUEMQMIUXTG-MRVPVSSYSA-N 1 2 272.305 -1.721 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)CNC(=O)OC)C1 ZINC001389463567 888551081 /nfs/dbraw/zinc/55/10/81/888551081.db2.gz YHRSUEMQMIUXTG-MRVPVSSYSA-N 1 2 272.305 -1.721 20 0 CAADLO COC[C@H](OC)C(=O)N1CC(NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001389486549 888551254 /nfs/dbraw/zinc/55/12/54/888551254.db2.gz NTNSSYQOVOKYJW-NSHDSACASA-N 1 2 296.327 -1.059 20 0 CAADLO NC(=O)NC(=O)CN1CC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001389520113 888552572 /nfs/dbraw/zinc/55/25/72/888552572.db2.gz HIDOKGYADLOMMB-SECBINFHSA-N 1 2 294.315 -1.732 20 0 CAADLO CN(C)C(=O)CCCC(=O)N[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001389514646 888552687 /nfs/dbraw/zinc/55/26/87/888552687.db2.gz RLEWLJCKAPNPGP-JTQLQIEISA-N 1 2 284.360 -1.079 20 0 CAADLO CN(C)C(=O)CCCC(=O)N[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001389514646 888552700 /nfs/dbraw/zinc/55/27/00/888552700.db2.gz RLEWLJCKAPNPGP-JTQLQIEISA-N 1 2 284.360 -1.079 20 0 CAADLO NC(=O)NCC(=O)N1CC[C@@H]1CNC(=O)Cc1[nH]cc[nH+]1 ZINC001389717682 888559678 /nfs/dbraw/zinc/55/96/78/888559678.db2.gz FRKRWVOCFAIKCJ-MRVPVSSYSA-N 1 2 294.315 -1.662 20 0 CAADLO NC(=O)NCC(=O)N1CC[C@H]1CNC(=O)Cc1[nH]cc[nH+]1 ZINC001389717704 888560439 /nfs/dbraw/zinc/56/04/39/888560439.db2.gz FRKRWVOCFAIKCJ-QMMMGPOBSA-N 1 2 294.315 -1.662 20 0 CAADLO CNC(=O)NCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2nnn(C)n2)C1 ZINC001389982060 888566293 /nfs/dbraw/zinc/56/62/93/888566293.db2.gz REQRWDNUZPTLSU-OCAPTIKFSA-N 1 2 296.335 -2.124 20 0 CAADLO O=C(Cc1[nH]cc[nH+]1)NCC1CN(C(=O)c2nc[nH]n2)C1 ZINC001389898010 888567208 /nfs/dbraw/zinc/56/72/08/888567208.db2.gz SKQMCQGQPPFDJC-UHFFFAOYSA-N 1 2 289.299 -1.041 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)Cc2nnc[nH]2)C1 ZINC001390057098 888571162 /nfs/dbraw/zinc/57/11/62/888571162.db2.gz DMCHVJOIRYLOEW-VIFPVBQESA-N 1 2 280.332 -1.339 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@@H](CNC(=O)Cc2nnc[nH]2)C1 ZINC001390057098 888571168 /nfs/dbraw/zinc/57/11/68/888571168.db2.gz DMCHVJOIRYLOEW-VIFPVBQESA-N 1 2 280.332 -1.339 20 0 CAADLO C[C@H](CNC(=O)c1ncc[nH]1)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001390362406 888578237 /nfs/dbraw/zinc/57/82/37/888578237.db2.gz MACXFZUJEGJTJO-SSDOTTSWSA-N 1 2 279.304 -1.260 20 0 CAADLO Cc1nn[nH]c1C(=O)NC[C@H](C)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001390459722 888582002 /nfs/dbraw/zinc/58/20/02/888582002.db2.gz UFGAMDJSKOFZMZ-LURJTMIESA-N 1 2 294.319 -1.557 20 0 CAADLO C[C@H](CNC(=O)[C@H]1C[C@H]1C(N)=O)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001390488078 888584695 /nfs/dbraw/zinc/58/46/95/888584695.db2.gz ZEEMWUJOAHXLLB-PRJMDXOYSA-N 1 2 296.331 -2.176 20 0 CAADLO C[C@H](CNC(=O)CCCC(N)=O)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001390547612 888590274 /nfs/dbraw/zinc/59/02/74/888590274.db2.gz VEAKDLVUDWRJEC-MRVPVSSYSA-N 1 2 298.347 -1.642 20 0 CAADLO Cn1ncc(C(=O)NCC[N@H+](C)CC(=O)N2CCC2)c1N ZINC001390752599 888594892 /nfs/dbraw/zinc/59/48/92/888594892.db2.gz YFYLOZMXVQWQAJ-UHFFFAOYSA-N 1 2 294.359 -1.104 20 0 CAADLO Cn1ncc(C(=O)NCC[N@@H+](C)CC(=O)N2CCC2)c1N ZINC001390752599 888594897 /nfs/dbraw/zinc/59/48/97/888594897.db2.gz YFYLOZMXVQWQAJ-UHFFFAOYSA-N 1 2 294.359 -1.104 20 0 CAADLO CN(C)C(=O)C[N@H+](C)CCNC(=O)[C@H]1COC(=O)N1 ZINC001390752433 888595159 /nfs/dbraw/zinc/59/51/59/888595159.db2.gz CSLKBVLQCKXVRW-MRVPVSSYSA-N 1 2 272.305 -1.769 20 0 CAADLO CN(C)C(=O)C[N@@H+](C)CCNC(=O)[C@H]1COC(=O)N1 ZINC001390752433 888595165 /nfs/dbraw/zinc/59/51/65/888595165.db2.gz CSLKBVLQCKXVRW-MRVPVSSYSA-N 1 2 272.305 -1.769 20 0 CAADLO CCN(C)C(=O)C[N@H+](C)CCNC(=O)Cn1cnnn1 ZINC001390730758 888595444 /nfs/dbraw/zinc/59/54/44/888595444.db2.gz GQVONUYLYKFXIS-UHFFFAOYSA-N 1 2 283.336 -1.801 20 0 CAADLO CCN(C)C(=O)C[N@@H+](C)CCNC(=O)Cn1cnnn1 ZINC001390730758 888595456 /nfs/dbraw/zinc/59/54/56/888595456.db2.gz GQVONUYLYKFXIS-UHFFFAOYSA-N 1 2 283.336 -1.801 20 0 CAADLO C[N@H+](CCNC(=O)C1CC1)CC(=O)N1CCNC(=O)C1 ZINC001390721568 888597070 /nfs/dbraw/zinc/59/70/70/888597070.db2.gz HACWTUJPZOEJOZ-UHFFFAOYSA-N 1 2 282.344 -1.597 20 0 CAADLO C[N@@H+](CCNC(=O)C1CC1)CC(=O)N1CCNC(=O)C1 ZINC001390721568 888597082 /nfs/dbraw/zinc/59/70/82/888597082.db2.gz HACWTUJPZOEJOZ-UHFFFAOYSA-N 1 2 282.344 -1.597 20 0 CAADLO Cn1[nH]c(C[N@H+](C)CCNC(=O)Cc2ccon2)nc1=O ZINC001390741629 888597192 /nfs/dbraw/zinc/59/71/92/888597192.db2.gz KVUHPPJBHXMDAE-UHFFFAOYSA-N 1 2 294.315 -1.113 20 0 CAADLO Cn1[nH]c(C[N@@H+](C)CCNC(=O)Cc2ccon2)nc1=O ZINC001390741629 888597217 /nfs/dbraw/zinc/59/72/17/888597217.db2.gz KVUHPPJBHXMDAE-UHFFFAOYSA-N 1 2 294.315 -1.113 20 0 CAADLO C[C@@H](NC(=O)c1ccoc1)C(=O)NCC[N@H+](C)CC(N)=O ZINC001390771849 888600518 /nfs/dbraw/zinc/60/05/18/888600518.db2.gz VEINHWOASWDRML-SECBINFHSA-N 1 2 296.327 -1.069 20 0 CAADLO C[C@@H](NC(=O)c1ccoc1)C(=O)NCC[N@@H+](C)CC(N)=O ZINC001390771849 888600531 /nfs/dbraw/zinc/60/05/31/888600531.db2.gz VEINHWOASWDRML-SECBINFHSA-N 1 2 296.327 -1.069 20 0 CAADLO C[C@@H](CC(N)=O)C(=O)NCC[N@H+](C)CC(=O)N1CCC1 ZINC001390796193 888600774 /nfs/dbraw/zinc/60/07/74/888600774.db2.gz IWUYUYSMTVHWKJ-JTQLQIEISA-N 1 2 284.360 -1.222 20 0 CAADLO C[C@@H](CC(N)=O)C(=O)NCC[N@@H+](C)CC(=O)N1CCC1 ZINC001390796193 888600779 /nfs/dbraw/zinc/60/07/79/888600779.db2.gz IWUYUYSMTVHWKJ-JTQLQIEISA-N 1 2 284.360 -1.222 20 0 CAADLO C[N@H+](CCNC(=O)[C@H]1CCC(=O)NC1)CC(=O)NC1CC1 ZINC001390778909 888600983 /nfs/dbraw/zinc/60/09/83/888600983.db2.gz BKNHXDJTBXTZJT-JTQLQIEISA-N 1 2 296.371 -1.161 20 0 CAADLO C[N@@H+](CCNC(=O)[C@H]1CCC(=O)NC1)CC(=O)NC1CC1 ZINC001390778909 888600991 /nfs/dbraw/zinc/60/09/91/888600991.db2.gz BKNHXDJTBXTZJT-JTQLQIEISA-N 1 2 296.371 -1.161 20 0 CAADLO CCN1CCOC[C@@H]1C(=O)NCC[N@H+](C)CC(=O)NC ZINC001390781535 888602055 /nfs/dbraw/zinc/60/20/55/888602055.db2.gz FORZURMFZXPQED-LLVKDONJSA-N 1 2 286.376 -1.499 20 0 CAADLO CCN1CCOC[C@@H]1C(=O)NCC[N@@H+](C)CC(=O)NC ZINC001390781535 888602063 /nfs/dbraw/zinc/60/20/63/888602063.db2.gz FORZURMFZXPQED-LLVKDONJSA-N 1 2 286.376 -1.499 20 0 CAADLO Cc1nc(C(=O)NCC[N@@H+](C)CC(N)=O)c(=O)[nH]c1C ZINC001390779264 888602181 /nfs/dbraw/zinc/60/21/81/888602181.db2.gz RMTCXCAUBGLMIO-UHFFFAOYSA-N 1 2 281.316 -1.054 20 0 CAADLO Cc1nc(C(=O)NCC[N@H+](C)CC(N)=O)c(=O)[nH]c1C ZINC001390779264 888602193 /nfs/dbraw/zinc/60/21/93/888602193.db2.gz RMTCXCAUBGLMIO-UHFFFAOYSA-N 1 2 281.316 -1.054 20 0 CAADLO CN(C)C(=O)C[N@H+](C)CCNC(=O)[C@@H]1CCC(=O)N1C ZINC001390802524 888602352 /nfs/dbraw/zinc/60/23/52/888602352.db2.gz FOKFSAURZIUEMW-JTQLQIEISA-N 1 2 284.360 -1.257 20 0 CAADLO CN(C)C(=O)C[N@@H+](C)CCNC(=O)[C@@H]1CCC(=O)N1C ZINC001390802524 888602364 /nfs/dbraw/zinc/60/23/64/888602364.db2.gz FOKFSAURZIUEMW-JTQLQIEISA-N 1 2 284.360 -1.257 20 0 CAADLO COc1c[nH]c(C(=O)NCC[N@H+](C)[C@@H](C)C(N)=O)cc1=O ZINC001390786781 888602995 /nfs/dbraw/zinc/60/29/95/888602995.db2.gz XSSGBOXKHKNVEK-QMMMGPOBSA-N 1 2 296.327 -1.081 20 0 CAADLO COc1c[nH]c(C(=O)NCC[N@@H+](C)[C@@H](C)C(N)=O)cc1=O ZINC001390786781 888603002 /nfs/dbraw/zinc/60/30/02/888603002.db2.gz XSSGBOXKHKNVEK-QMMMGPOBSA-N 1 2 296.327 -1.081 20 0 CAADLO CNC(=O)C[N@H+](C)CCNC(=O)c1cccc(C(N)=O)n1 ZINC001390858799 888604302 /nfs/dbraw/zinc/60/43/02/888604302.db2.gz ADJNFKBIKZCNOM-UHFFFAOYSA-N 1 2 293.327 -1.412 20 0 CAADLO CNC(=O)C[N@@H+](C)CCNC(=O)c1cccc(C(N)=O)n1 ZINC001390858799 888604320 /nfs/dbraw/zinc/60/43/20/888604320.db2.gz ADJNFKBIKZCNOM-UHFFFAOYSA-N 1 2 293.327 -1.412 20 0 CAADLO CNC(=O)C[N@H+](C)CCNC(=O)[C@H]1CCCCN1C(N)=O ZINC001390838690 888604512 /nfs/dbraw/zinc/60/45/12/888604512.db2.gz AURTXSXNCHPOIB-SNVBAGLBSA-N 1 2 299.375 -1.286 20 0 CAADLO CNC(=O)C[N@@H+](C)CCNC(=O)[C@H]1CCCCN1C(N)=O ZINC001390838690 888604518 /nfs/dbraw/zinc/60/45/18/888604518.db2.gz AURTXSXNCHPOIB-SNVBAGLBSA-N 1 2 299.375 -1.286 20 0 CAADLO CNC(=O)C[N@H+](C)CCNC(=O)CS(=O)(=O)N(C)C ZINC001390850929 888604554 /nfs/dbraw/zinc/60/45/54/888604554.db2.gz QUMPOZZNMBGXSR-UHFFFAOYSA-N 1 2 294.377 -2.328 20 0 CAADLO CNC(=O)C[N@@H+](C)CCNC(=O)CS(=O)(=O)N(C)C ZINC001390850929 888604567 /nfs/dbraw/zinc/60/45/67/888604567.db2.gz QUMPOZZNMBGXSR-UHFFFAOYSA-N 1 2 294.377 -2.328 20 0 CAADLO C[N@H+](CCNC(=O)c1cc(C(N)=O)ccn1)CC(N)=O ZINC001390868319 888604826 /nfs/dbraw/zinc/60/48/26/888604826.db2.gz MTWYJECZIVSMGJ-UHFFFAOYSA-N 1 2 279.300 -1.673 20 0 CAADLO C[N@@H+](CCNC(=O)c1cc(C(N)=O)ccn1)CC(N)=O ZINC001390868319 888604842 /nfs/dbraw/zinc/60/48/42/888604842.db2.gz MTWYJECZIVSMGJ-UHFFFAOYSA-N 1 2 279.300 -1.673 20 0 CAADLO CC[N@H+](CCNC(=O)Cn1ncnn1)Cc1cnnn1C ZINC001390894802 888605864 /nfs/dbraw/zinc/60/58/64/888605864.db2.gz FANQCBBENLFPBD-UHFFFAOYSA-N 1 2 293.335 -1.560 20 0 CAADLO CC[N@@H+](CCNC(=O)Cn1ncnn1)Cc1cnnn1C ZINC001390894802 888605872 /nfs/dbraw/zinc/60/58/72/888605872.db2.gz FANQCBBENLFPBD-UHFFFAOYSA-N 1 2 293.335 -1.560 20 0 CAADLO CCCNC(=O)C[N@H+](C)CCNC(=O)[C@@H]1CCC(=O)N1 ZINC001390848106 888607748 /nfs/dbraw/zinc/60/77/48/888607748.db2.gz RPXWMSBIULTQMM-JTQLQIEISA-N 1 2 284.360 -1.161 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CCC[C@H]1CNC(=O)Cc1nnc[nH]1 ZINC001391067157 888612211 /nfs/dbraw/zinc/61/22/11/888612211.db2.gz IOGXZXJJXJJMAE-IUCAKERBSA-N 1 2 280.332 -1.198 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CCC[C@H]1CNC(=O)Cc1nnc[nH]1 ZINC001391067157 888612214 /nfs/dbraw/zinc/61/22/14/888612214.db2.gz IOGXZXJJXJJMAE-IUCAKERBSA-N 1 2 280.332 -1.198 20 0 CAADLO COCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)NC(N)=O ZINC001391244559 888618714 /nfs/dbraw/zinc/61/87/14/888618714.db2.gz NNWDRJUJXZPVTR-AOOOYVTPSA-N 1 2 298.343 -1.107 20 0 CAADLO COCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)NC(N)=O ZINC001391244559 888618723 /nfs/dbraw/zinc/61/87/23/888618723.db2.gz NNWDRJUJXZPVTR-AOOOYVTPSA-N 1 2 298.343 -1.107 20 0 CAADLO C[C@@H]([NH2+]CCN(C)C(=O)Cc1ncn[nH]1)C(=O)N(C)C ZINC001391219914 888621606 /nfs/dbraw/zinc/62/16/06/888621606.db2.gz DXZYXTPCCHITQO-SECBINFHSA-N 1 2 282.348 -1.128 20 0 CAADLO CNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)CCNC(=O)NC)C1 ZINC001391376613 888622971 /nfs/dbraw/zinc/62/29/71/888622971.db2.gz SHMXLYSYBFGQDU-SNVBAGLBSA-N 1 2 299.375 -1.368 20 0 CAADLO CNC(=O)C[N@H+]1CCC[C@@H](NC(=O)CCNC(=O)NC)C1 ZINC001391376613 888622982 /nfs/dbraw/zinc/62/29/82/888622982.db2.gz SHMXLYSYBFGQDU-SNVBAGLBSA-N 1 2 299.375 -1.368 20 0 CAADLO COCCC(=O)N(C)CC[NH+]1CCN(CC(N)=O)CC1 ZINC001391330391 888623008 /nfs/dbraw/zinc/62/30/08/888623008.db2.gz JURKNDMNPGKTSR-UHFFFAOYSA-N 1 2 286.376 -1.416 20 0 CAADLO NC(=O)CCCC(=O)N[C@H]1CCC[N@H+](CC(N)=O)C1 ZINC001391406152 888623845 /nfs/dbraw/zinc/62/38/45/888623845.db2.gz WBNSGVMFZZVUEH-VIFPVBQESA-N 1 2 270.333 -1.292 20 0 CAADLO NC(=O)CCCC(=O)N[C@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001391406152 888623854 /nfs/dbraw/zinc/62/38/54/888623854.db2.gz WBNSGVMFZZVUEH-VIFPVBQESA-N 1 2 270.333 -1.292 20 0 CAADLO Cn1c[nH+]cc1CN1CC(NC(=O)CS(C)(=O)=O)C1 ZINC001391407912 888625545 /nfs/dbraw/zinc/62/55/45/888625545.db2.gz CNNIAXPHKHNFTH-UHFFFAOYSA-N 1 2 286.357 -1.235 20 0 CAADLO CNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)CCn2cnnn2)C1 ZINC001391385611 888625617 /nfs/dbraw/zinc/62/56/17/888625617.db2.gz JTCYAHYGWSWSEK-SNVBAGLBSA-N 1 2 295.347 -1.610 20 0 CAADLO CNC(=O)C[N@H+]1CCC[C@@H](NC(=O)CCn2cnnn2)C1 ZINC001391385611 888625625 /nfs/dbraw/zinc/62/56/25/888625625.db2.gz JTCYAHYGWSWSEK-SNVBAGLBSA-N 1 2 295.347 -1.610 20 0 CAADLO COCC(=O)N(C)CCN1CC[NH+]([C@H]2CCNC2=O)CC1 ZINC001391332129 888626050 /nfs/dbraw/zinc/62/60/50/888626050.db2.gz NJACVBFZAOUYLR-LBPRGKRZSA-N 1 2 298.387 -1.403 20 0 CAADLO COCC(=O)N(C)CC[NH+]1CCN([C@H]2CCNC2=O)CC1 ZINC001391332129 888626058 /nfs/dbraw/zinc/62/60/58/888626058.db2.gz NJACVBFZAOUYLR-LBPRGKRZSA-N 1 2 298.387 -1.403 20 0 CAADLO CCn1nncc1C(=O)NC1C[NH+](C[C@H](O)COC)C1 ZINC001391413183 888627032 /nfs/dbraw/zinc/62/70/32/888627032.db2.gz UQVPGMOWHBWSPA-JTQLQIEISA-N 1 2 283.332 -1.281 20 0 CAADLO CNC(=O)NCCC(=O)NC1C[NH+](C[C@@H](O)COC)C1 ZINC001391412083 888627686 /nfs/dbraw/zinc/62/76/86/888627686.db2.gz NLYXBKHRRZSMOT-SNVBAGLBSA-N 1 2 288.348 -1.887 20 0 CAADLO CCNC(=O)CCC(=O)NC1C[NH+](C[C@H](O)COC)C1 ZINC001391422165 888628132 /nfs/dbraw/zinc/62/81/32/888628132.db2.gz UQIAEWOUJDERHL-NSHDSACASA-N 1 2 287.360 -1.290 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(NC(=O)CN2CCCCC2=O)C1 ZINC001391429908 888629114 /nfs/dbraw/zinc/62/91/14/888629114.db2.gz PJZXHYYEABIXRZ-LBPRGKRZSA-N 1 2 299.371 -1.193 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(NC(=O)CC2OCCCO2)C1 ZINC001391412552 888629378 /nfs/dbraw/zinc/62/93/78/888629378.db2.gz ZVXQIKSOFZEGAG-NSHDSACASA-N 1 2 288.344 -1.053 20 0 CAADLO Cc1cc(C(=O)NCC2C[NH+](CC(=O)NC(N)=O)C2)[nH]n1 ZINC001391477584 888630507 /nfs/dbraw/zinc/63/05/07/888630507.db2.gz MGRGEOGSVDAFQK-UHFFFAOYSA-N 1 2 294.315 -1.425 20 0 CAADLO CO[C@H](C)C(=O)NCC1C[NH+](CC(=O)NC(N)=O)C1 ZINC001391473929 888630551 /nfs/dbraw/zinc/63/05/51/888630551.db2.gz FKIKTLTWXCXDNE-SSDOTTSWSA-N 1 2 272.305 -1.736 20 0 CAADLO C[C@@H](O)C[NH+]1CC(NC(=O)C(C)(C)NS(C)(=O)=O)C1 ZINC001391443956 888631180 /nfs/dbraw/zinc/63/11/80/888631180.db2.gz MWFOZMJWSOLRPU-MRVPVSSYSA-N 1 2 293.389 -1.505 20 0 CAADLO C[C@@H](C(=O)NC(N)=O)N1CC(NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001391449510 888631359 /nfs/dbraw/zinc/63/13/59/888631359.db2.gz DMZITUIEPDXLHS-ZETCQYMHSA-N 1 2 294.315 -1.664 20 0 CAADLO Cc1cc(OCC(=O)NCC2C[NH+](CC(N)=O)C2)no1 ZINC001391484848 888631660 /nfs/dbraw/zinc/63/16/60/888631660.db2.gz APRTUEIFKQQHEJ-UHFFFAOYSA-N 1 2 282.300 -1.105 20 0 CAADLO O=C(Cn1ncnn1)NCC1C[NH+]([C@H]2CCNC2=O)C1 ZINC001391483721 888631684 /nfs/dbraw/zinc/63/16/84/888631684.db2.gz WAKSVNNOGFOZGS-VIFPVBQESA-N 1 2 279.304 -2.390 20 0 CAADLO CNC(=O)NC(=O)C[NH+]1CC(CNC(=O)c2ncc[nH]2)C1 ZINC001391485638 888631707 /nfs/dbraw/zinc/63/17/07/888631707.db2.gz YSKBUWJYXVVGGO-UHFFFAOYSA-N 1 2 294.315 -1.473 20 0 CAADLO CNC(=O)NC(=O)CN1CC(NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001391453988 888631773 /nfs/dbraw/zinc/63/17/73/888631773.db2.gz REGMQXBHXPNISW-UHFFFAOYSA-N 1 2 294.315 -1.792 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(NC(=O)c2ccc(OC)nn2)C1 ZINC001391447668 888631959 /nfs/dbraw/zinc/63/19/59/888631959.db2.gz ICSCVYRLIUYQQQ-JTQLQIEISA-N 1 2 296.327 -1.094 20 0 CAADLO CC(=O)NCC(=O)NCC1C[NH+](CC(=O)NC(N)=O)C1 ZINC001391465935 888632616 /nfs/dbraw/zinc/63/26/16/888632616.db2.gz YGSHIDAXCDDXQQ-UHFFFAOYSA-N 1 2 285.304 -2.635 20 0 CAADLO NC(=O)NC(=O)C[NH+]1CC(CNC(=O)c2cc[nH]c2)C1 ZINC001391480983 888632675 /nfs/dbraw/zinc/63/26/75/888632675.db2.gz MTEAUGNBRUPXRP-UHFFFAOYSA-N 1 2 279.300 -1.129 20 0 CAADLO CCNC(=O)C[NH+]1CC(CNC(=O)[C@@H]2C[C@H]2C(=O)OC)C1 ZINC001391479444 888632899 /nfs/dbraw/zinc/63/28/99/888632899.db2.gz QWMWBPGERBPRBE-GHMZBOCLSA-N 1 2 297.355 -1.020 20 0 CAADLO CC(=O)N[C@@H](C)C(=O)NCC1C[NH+]([C@H](C)C(N)=O)C1 ZINC001391466742 888632935 /nfs/dbraw/zinc/63/29/35/888632935.db2.gz IMZNKTHCIYUVMD-JGVFFNPUSA-N 1 2 270.333 -1.567 20 0 CAADLO NC(=O)NC(=O)C[NH+]1CC(CNC(=O)C[C@@H]2CCCO2)C1 ZINC001391469975 888633228 /nfs/dbraw/zinc/63/32/28/888633228.db2.gz ZZBMFGDDXCFBOS-JTQLQIEISA-N 1 2 298.343 -1.202 20 0 CAADLO CNC(=O)NC(=O)C[N@@H+]1CC[C@H](NC(=O)c2ccn[nH]2)C1 ZINC001391541415 888634364 /nfs/dbraw/zinc/63/43/64/888634364.db2.gz SDTZQCHBQQQGKM-QMMMGPOBSA-N 1 2 294.315 -1.331 20 0 CAADLO CNC(=O)NC(=O)C[N@H+]1CC[C@H](NC(=O)c2ccn[nH]2)C1 ZINC001391541415 888634374 /nfs/dbraw/zinc/63/43/74/888634374.db2.gz SDTZQCHBQQQGKM-QMMMGPOBSA-N 1 2 294.315 -1.331 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCNC(N)=O ZINC001391535628 888634631 /nfs/dbraw/zinc/63/46/31/888634631.db2.gz FLJJAEKEDAMODP-CIUDSAMLSA-N 1 2 283.332 -1.796 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCNC(N)=O ZINC001391535628 888634636 /nfs/dbraw/zinc/63/46/36/888634636.db2.gz FLJJAEKEDAMODP-CIUDSAMLSA-N 1 2 283.332 -1.796 20 0 CAADLO C[C@@H](C(N)=O)[NH+]1CC(CNC(=O)[C@]2(C)CCC(=O)NC2)C1 ZINC001391500587 888634815 /nfs/dbraw/zinc/63/48/15/888634815.db2.gz IIMVXHKHGOYGIR-LKFCYVNXSA-N 1 2 296.371 -1.176 20 0 CAADLO CNS(=O)(=O)NCC(=O)NCC1C[NH+](CC(N)=O)C1 ZINC001391494858 888634911 /nfs/dbraw/zinc/63/49/11/888634911.db2.gz GQBNCOMXLQCXLZ-UHFFFAOYSA-N 1 2 293.349 -3.427 20 0 CAADLO CCS(=O)(=O)NCC(=O)NCC1C[NH+](CC(N)=O)C1 ZINC001391490730 888634954 /nfs/dbraw/zinc/63/49/54/888634954.db2.gz NGJULBFIBMTUCK-UHFFFAOYSA-N 1 2 292.361 -2.541 20 0 CAADLO NC(=O)NC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCCO2)C1 ZINC001391549391 888634976 /nfs/dbraw/zinc/63/49/76/888634976.db2.gz NSVQMXAAWQEESL-UWVGGRQHSA-N 1 2 298.343 -1.059 20 0 CAADLO NC(=O)NC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCCO2)C1 ZINC001391549391 888634981 /nfs/dbraw/zinc/63/49/81/888634981.db2.gz NSVQMXAAWQEESL-UWVGGRQHSA-N 1 2 298.343 -1.059 20 0 CAADLO CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cnn(C)c2N)C1 ZINC001391551112 888635158 /nfs/dbraw/zinc/63/51/58/888635158.db2.gz WJPJPXKSGXSNDO-VIFPVBQESA-N 1 2 294.359 -1.058 20 0 CAADLO CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cnn(C)c2N)C1 ZINC001391551112 888635165 /nfs/dbraw/zinc/63/51/65/888635165.db2.gz WJPJPXKSGXSNDO-VIFPVBQESA-N 1 2 294.359 -1.058 20 0 CAADLO C[C@H](C(N)=O)[NH+]1CC(CNC(=O)[C@]2(C)CCNC(=O)C2)C1 ZINC001391490400 888635387 /nfs/dbraw/zinc/63/53/87/888635387.db2.gz WSFMTUCCXILJOH-YMTOWFKASA-N 1 2 296.371 -1.176 20 0 CAADLO C[C@@H](C(N)=O)[NH+]1CC(CNC(=O)[C@]2(C)CCNC(=O)C2)C1 ZINC001391490397 888635620 /nfs/dbraw/zinc/63/56/20/888635620.db2.gz WSFMTUCCXILJOH-LKFCYVNXSA-N 1 2 296.371 -1.176 20 0 CAADLO CNC(=O)C[NH+]1CC(CNC(=O)CS(=O)(=O)NC)C1 ZINC001391516626 888635659 /nfs/dbraw/zinc/63/56/59/888635659.db2.gz HKCRBUOIZCPKCA-UHFFFAOYSA-N 1 2 292.361 -2.670 20 0 CAADLO NC(=O)NC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCCO2)C1 ZINC001391549392 888635687 /nfs/dbraw/zinc/63/56/87/888635687.db2.gz NSVQMXAAWQEESL-VHSXEESVSA-N 1 2 298.343 -1.059 20 0 CAADLO NC(=O)NC(=O)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCCCO2)C1 ZINC001391549392 888635693 /nfs/dbraw/zinc/63/56/93/888635693.db2.gz NSVQMXAAWQEESL-VHSXEESVSA-N 1 2 298.343 -1.059 20 0 CAADLO NC(=O)C[NH+]1CC(CNC(=O)COC[C@@H]2CCCO2)C1 ZINC001391518556 888635890 /nfs/dbraw/zinc/63/58/90/888635890.db2.gz VSZDAMJZLDAFRT-NSHDSACASA-N 1 2 285.344 -1.285 20 0 CAADLO Cc1c(CC(=O)NCC2C[NH+](CC(N)=O)C2)cnn1C ZINC001391490945 888635998 /nfs/dbraw/zinc/63/59/98/888635998.db2.gz OCVLSGAGLFGPRE-UHFFFAOYSA-N 1 2 279.344 -1.196 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCNC(N)=O ZINC001391535630 888636141 /nfs/dbraw/zinc/63/61/41/888636141.db2.gz FLJJAEKEDAMODP-VGMNWLOBSA-N 1 2 283.332 -1.796 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCNC(N)=O ZINC001391535630 888636148 /nfs/dbraw/zinc/63/61/48/888636148.db2.gz FLJJAEKEDAMODP-VGMNWLOBSA-N 1 2 283.332 -1.796 20 0 CAADLO CC(=O)NCC(=O)NCC(=O)NCC1C[NH+](CC(N)=O)C1 ZINC001391495483 888636772 /nfs/dbraw/zinc/63/67/72/888636772.db2.gz UZOZIKVYFMCIQU-UHFFFAOYSA-N 1 2 299.331 -3.228 20 0 CAADLO Cn1nnnc1CN1CC(CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001391508502 888636812 /nfs/dbraw/zinc/63/68/12/888636812.db2.gz DGSXTSDKAYXHHV-UHFFFAOYSA-N 1 2 290.331 -1.276 20 0 CAADLO CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)Cc2nc[nH]n2)C1 ZINC001391563817 888638377 /nfs/dbraw/zinc/63/83/77/888638377.db2.gz XANYJFRSNWIPRI-VIFPVBQESA-N 1 2 280.332 -1.326 20 0 CAADLO CCNC(=O)C[N@H+]1CC[C@H](NC(=O)Cc2nc[nH]n2)C1 ZINC001391563817 888638380 /nfs/dbraw/zinc/63/83/80/888638380.db2.gz XANYJFRSNWIPRI-VIFPVBQESA-N 1 2 280.332 -1.326 20 0 CAADLO CNS(=O)(=O)CCC(=O)N[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001391574904 888638941 /nfs/dbraw/zinc/63/89/41/888638941.db2.gz FVNQYMSQLSFNII-MRVPVSSYSA-N 1 2 292.361 -2.399 20 0 CAADLO CNS(=O)(=O)CCC(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001391574904 888638949 /nfs/dbraw/zinc/63/89/49/888638949.db2.gz FVNQYMSQLSFNII-MRVPVSSYSA-N 1 2 292.361 -2.399 20 0 CAADLO CC[C@H](CNC(=O)[C@@H](C)NC(C)=O)[NH2+]Cc1nnn(C)n1 ZINC001391660048 888639112 /nfs/dbraw/zinc/63/91/12/888639112.db2.gz QLLSZRFLCRFLFG-PSASIEDQSA-N 1 2 297.363 -1.281 20 0 CAADLO C[C@@]1(C(=O)N[C@@H]2CC[N@H+](CC(=O)NC(N)=O)C2)CCOC1 ZINC001391592470 888639244 /nfs/dbraw/zinc/63/92/44/888639244.db2.gz NGRGOCPMQYYDNY-NOZJJQNGSA-N 1 2 298.343 -1.202 20 0 CAADLO C[C@@]1(C(=O)N[C@@H]2CC[N@@H+](CC(=O)NC(N)=O)C2)CCOC1 ZINC001391592470 888639253 /nfs/dbraw/zinc/63/92/53/888639253.db2.gz NGRGOCPMQYYDNY-NOZJJQNGSA-N 1 2 298.343 -1.202 20 0 CAADLO COCC(=O)N(C)[C@@H]1CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001391601961 888639894 /nfs/dbraw/zinc/63/98/94/888639894.db2.gz WGSHMARJWLRWHP-MRVPVSSYSA-N 1 2 272.305 -1.640 20 0 CAADLO COCC(=O)N(C)[C@@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001391601961 888639902 /nfs/dbraw/zinc/63/99/02/888639902.db2.gz WGSHMARJWLRWHP-MRVPVSSYSA-N 1 2 272.305 -1.640 20 0 CAADLO CC(=O)N[C@@H]1CC[N@H+](CC(=O)NCC(=O)N2CCCC2)C1 ZINC001391572564 888640146 /nfs/dbraw/zinc/64/01/46/888640146.db2.gz AUUJIVQYCMWLEI-GFCCVEGCSA-N 1 2 296.371 -1.065 20 0 CAADLO CC(=O)N[C@@H]1CC[N@@H+](CC(=O)NCC(=O)N2CCCC2)C1 ZINC001391572564 888640156 /nfs/dbraw/zinc/64/01/56/888640156.db2.gz AUUJIVQYCMWLEI-GFCCVEGCSA-N 1 2 296.371 -1.065 20 0 CAADLO CCCNC(=O)C[N@H+]1CC[C@@H](NC(=O)CCNC(N)=O)C1 ZINC001391595379 888640597 /nfs/dbraw/zinc/64/05/97/888640597.db2.gz GTLJHXGLHWXTFA-SNVBAGLBSA-N 1 2 299.375 -1.239 20 0 CAADLO C[C@@H](C(=O)NC(N)=O)[N@@H+]1CC[C@@H](NC(=O)c2cn[nH]c2)C1 ZINC001391571710 888640458 /nfs/dbraw/zinc/64/04/58/888640458.db2.gz BQERKXYGHXSUBX-IONNQARKSA-N 1 2 294.315 -1.203 20 0 CAADLO C[C@@H](C(=O)NC(N)=O)[N@H+]1CC[C@@H](NC(=O)c2cn[nH]c2)C1 ZINC001391571710 888640463 /nfs/dbraw/zinc/64/04/63/888640463.db2.gz BQERKXYGHXSUBX-IONNQARKSA-N 1 2 294.315 -1.203 20 0 CAADLO CCCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CCNC(N)=O)C1 ZINC001391595379 888640592 /nfs/dbraw/zinc/64/05/92/888640592.db2.gz GTLJHXGLHWXTFA-SNVBAGLBSA-N 1 2 299.375 -1.239 20 0 CAADLO CN(C(=O)CS(C)(=O)=O)[C@@H]1CC[N@H+](CCCO)C1 ZINC001391607113 888640724 /nfs/dbraw/zinc/64/07/24/888640724.db2.gz QIGPCYGUZSAWPC-SNVBAGLBSA-N 1 2 278.374 -1.054 20 0 CAADLO CN(C(=O)CS(C)(=O)=O)[C@@H]1CC[N@@H+](CCCO)C1 ZINC001391607113 888640728 /nfs/dbraw/zinc/64/07/28/888640728.db2.gz QIGPCYGUZSAWPC-SNVBAGLBSA-N 1 2 278.374 -1.054 20 0 CAADLO C[C@H](C(=O)NC(N)=O)[N@@H+]1CC[C@@H](NC(=O)c2cn[nH]c2)C1 ZINC001391571716 888640847 /nfs/dbraw/zinc/64/08/47/888640847.db2.gz BQERKXYGHXSUBX-VXNVDRBHSA-N 1 2 294.315 -1.203 20 0 CAADLO C[C@H](C(=O)NC(N)=O)[N@H+]1CC[C@@H](NC(=O)c2cn[nH]c2)C1 ZINC001391571716 888640854 /nfs/dbraw/zinc/64/08/54/888640854.db2.gz BQERKXYGHXSUBX-VXNVDRBHSA-N 1 2 294.315 -1.203 20 0 CAADLO CC(=O)N[C@@H](C(=O)N[C@H]1CC[N@H+](CC(N)=O)C1)C(C)C ZINC001391565560 888640998 /nfs/dbraw/zinc/64/09/98/888640998.db2.gz QUXHQAINAPCAHB-CMPLNLGQSA-N 1 2 284.360 -1.177 20 0 CAADLO CC(=O)N[C@@H](C(=O)N[C@H]1CC[N@@H+](CC(N)=O)C1)C(C)C ZINC001391565560 888641004 /nfs/dbraw/zinc/64/10/04/888641004.db2.gz QUXHQAINAPCAHB-CMPLNLGQSA-N 1 2 284.360 -1.177 20 0 CAADLO CC[C@H](CNC(=O)[C@@H]1CNC(=O)N1)[NH2+]Cc1nnn(C)n1 ZINC001391723074 888644812 /nfs/dbraw/zinc/64/48/12/888644812.db2.gz YUAHHGRILAAFSG-SFYZADRCSA-N 1 2 296.335 -2.124 20 0 CAADLO COCCC(=O)NC[C@H](O)CNC(=O)Cc1c[nH+]cn1C ZINC001391951326 888650465 /nfs/dbraw/zinc/65/04/65/888650465.db2.gz GYLJHWHMCHGNEU-NSHDSACASA-N 1 2 298.343 -1.408 20 0 CAADLO CCC(=O)N[C@H](C)C(=O)NC[C@H]1C[N@H+](CCO)CCO1 ZINC001391974142 888651691 /nfs/dbraw/zinc/65/16/91/888651691.db2.gz RDSJYSFKHJUMIC-MNOVXSKESA-N 1 2 287.360 -1.290 20 0 CAADLO CCC(=O)N[C@H](C)C(=O)NC[C@H]1C[N@@H+](CCO)CCO1 ZINC001391974142 888651702 /nfs/dbraw/zinc/65/17/02/888651702.db2.gz RDSJYSFKHJUMIC-MNOVXSKESA-N 1 2 287.360 -1.290 20 0 CAADLO CC(=O)N(C)CC(=O)NC[C@H]1C[N@H+](CCO)CCO1 ZINC001391980116 888652400 /nfs/dbraw/zinc/65/24/00/888652400.db2.gz VORBNUIBXJFZKL-NSHDSACASA-N 1 2 273.333 -1.726 20 0 CAADLO CC(=O)N(C)CC(=O)NC[C@H]1C[N@@H+](CCO)CCO1 ZINC001391980116 888652410 /nfs/dbraw/zinc/65/24/10/888652410.db2.gz VORBNUIBXJFZKL-NSHDSACASA-N 1 2 273.333 -1.726 20 0 CAADLO CCC(=O)N[C@H](C)C(=O)NC[C@@H]1C[N@H+](CCO)CCO1 ZINC001391974140 888653172 /nfs/dbraw/zinc/65/31/72/888653172.db2.gz RDSJYSFKHJUMIC-GHMZBOCLSA-N 1 2 287.360 -1.290 20 0 CAADLO CCC(=O)N[C@H](C)C(=O)NC[C@@H]1C[N@@H+](CCO)CCO1 ZINC001391974140 888653174 /nfs/dbraw/zinc/65/31/74/888653174.db2.gz RDSJYSFKHJUMIC-GHMZBOCLSA-N 1 2 287.360 -1.290 20 0 CAADLO COC[C@H](O)C[N@@H+]1CCO[C@@H](CNC(=O)c2ccn[nH]2)C1 ZINC001391976071 888653362 /nfs/dbraw/zinc/65/33/62/888653362.db2.gz IBFYYVMDYICUIJ-MNOVXSKESA-N 1 2 298.343 -1.152 20 0 CAADLO COC[C@H](O)C[N@H+]1CCO[C@@H](CNC(=O)c2ccn[nH]2)C1 ZINC001391976071 888653366 /nfs/dbraw/zinc/65/33/66/888653366.db2.gz IBFYYVMDYICUIJ-MNOVXSKESA-N 1 2 298.343 -1.152 20 0 CAADLO CC(=O)N(C)CC(=O)NC[C@@H]1C[N@H+](CCO)CCO1 ZINC001391980109 888653522 /nfs/dbraw/zinc/65/35/22/888653522.db2.gz VORBNUIBXJFZKL-LLVKDONJSA-N 1 2 273.333 -1.726 20 0 CAADLO CC(=O)N(C)CC(=O)NC[C@@H]1C[N@@H+](CCO)CCO1 ZINC001391980109 888653529 /nfs/dbraw/zinc/65/35/29/888653529.db2.gz VORBNUIBXJFZKL-LLVKDONJSA-N 1 2 273.333 -1.726 20 0 CAADLO Cc1nnc(CC(=O)NC[C@@H]2C[N@H+](C[C@H](C)O)CCO2)[nH]1 ZINC001391983940 888654732 /nfs/dbraw/zinc/65/47/32/888654732.db2.gz WZCMFDGWWMOXLS-GXSJLCMTSA-N 1 2 297.359 -1.147 20 0 CAADLO Cc1nnc(CC(=O)NC[C@@H]2C[N@@H+](C[C@H](C)O)CCO2)[nH]1 ZINC001391983940 888654745 /nfs/dbraw/zinc/65/47/45/888654745.db2.gz WZCMFDGWWMOXLS-GXSJLCMTSA-N 1 2 297.359 -1.147 20 0 CAADLO C[C@H](NC(N)=O)C(=O)NC[C@@H]1C[N@H+](CCO)CCO1 ZINC001391981093 888655090 /nfs/dbraw/zinc/65/50/90/888655090.db2.gz OUUXEOKSBSUVQU-DTWKUNHWSA-N 1 2 274.321 -2.148 20 0 CAADLO C[C@H](NC(N)=O)C(=O)NC[C@@H]1C[N@@H+](CCO)CCO1 ZINC001391981093 888655104 /nfs/dbraw/zinc/65/51/04/888655104.db2.gz OUUXEOKSBSUVQU-DTWKUNHWSA-N 1 2 274.321 -2.148 20 0 CAADLO O=C(Cn1ccccc1=O)NC[C@@H]1C[N@H+](CCO)CCO1 ZINC001391994815 888655423 /nfs/dbraw/zinc/65/54/23/888655423.db2.gz XEMPPNRWTMIGKK-GFCCVEGCSA-N 1 2 295.339 -1.342 20 0 CAADLO O=C(Cn1ccccc1=O)NC[C@@H]1C[N@@H+](CCO)CCO1 ZINC001391994815 888655435 /nfs/dbraw/zinc/65/54/35/888655435.db2.gz XEMPPNRWTMIGKK-GFCCVEGCSA-N 1 2 295.339 -1.342 20 0 CAADLO COCC[N@@H+]1CCO[C@H](CNC(=O)[C@@H](C)CC(N)=O)C1 ZINC001391987970 888656159 /nfs/dbraw/zinc/65/61/59/888656159.db2.gz OOIJQHZBIAULQD-WDEREUQCSA-N 1 2 287.360 -1.039 20 0 CAADLO COCC[N@H+]1CCO[C@H](CNC(=O)[C@@H](C)CC(N)=O)C1 ZINC001391987970 888656164 /nfs/dbraw/zinc/65/61/64/888656164.db2.gz OOIJQHZBIAULQD-WDEREUQCSA-N 1 2 287.360 -1.039 20 0 CAADLO COCC[N@@H+]1CCO[C@H](CNC(=O)[C@H](C)CC(N)=O)C1 ZINC001391987960 888656258 /nfs/dbraw/zinc/65/62/58/888656258.db2.gz OOIJQHZBIAULQD-GHMZBOCLSA-N 1 2 287.360 -1.039 20 0 CAADLO COCC[N@H+]1CCO[C@H](CNC(=O)[C@H](C)CC(N)=O)C1 ZINC001391987960 888656265 /nfs/dbraw/zinc/65/62/65/888656265.db2.gz OOIJQHZBIAULQD-GHMZBOCLSA-N 1 2 287.360 -1.039 20 0 CAADLO CC(C)OCC(=O)NC[C@H](O)CNC(=O)Cn1cc[nH+]c1 ZINC001392034852 888660231 /nfs/dbraw/zinc/66/02/31/888660231.db2.gz OAEHAMGSGWXBFU-LLVKDONJSA-N 1 2 298.343 -1.099 20 0 CAADLO O=C(Cn1cc[nH+]c1)NC[C@@H](O)CNC(=O)c1cn[nH]n1 ZINC001392124022 888664985 /nfs/dbraw/zinc/66/49/85/888664985.db2.gz AYVZBICWZXHYNL-MRVPVSSYSA-N 1 2 293.287 -2.092 20 0 CAADLO CCNC(=O)CCC(=O)N(C)CC[N@H+](C)CC(N)=O ZINC001392261004 888669540 /nfs/dbraw/zinc/66/95/40/888669540.db2.gz XZJYBGXVYFNXQH-UHFFFAOYSA-N 1 2 272.349 -1.222 20 0 CAADLO CCNC(=O)CCC(=O)N(C)CC[N@@H+](C)CC(N)=O ZINC001392261004 888669545 /nfs/dbraw/zinc/66/95/45/888669545.db2.gz XZJYBGXVYFNXQH-UHFFFAOYSA-N 1 2 272.349 -1.222 20 0 CAADLO CCC(=O)NC[C@@H](O)C[NH2+]Cc1cc(=O)n2[nH]ccc2n1 ZINC001392340022 888672935 /nfs/dbraw/zinc/67/29/35/888672935.db2.gz HXJQWJZUURGFTC-JTQLQIEISA-N 1 2 293.327 -1.001 20 0 CAADLO CN(CC[N@H+](C)CC(N)=O)C(=O)c1cc(=O)n(C)cn1 ZINC001392286117 888672999 /nfs/dbraw/zinc/67/29/99/888672999.db2.gz UJEOFARWYJNKAK-UHFFFAOYSA-N 1 2 281.316 -1.731 20 0 CAADLO CN(CC[N@@H+](C)CC(N)=O)C(=O)c1cc(=O)n(C)cn1 ZINC001392286117 888673004 /nfs/dbraw/zinc/67/30/04/888673004.db2.gz UJEOFARWYJNKAK-UHFFFAOYSA-N 1 2 281.316 -1.731 20 0 CAADLO COCC(=O)N(C)CC(=O)N(C)CC[N@H+](C)CC(N)=O ZINC001392280704 888673579 /nfs/dbraw/zinc/67/35/79/888673579.db2.gz WLMLDNITIOMCNT-UHFFFAOYSA-N 1 2 288.348 -2.033 20 0 CAADLO COCC(=O)N(C)CC(=O)N(C)CC[N@@H+](C)CC(N)=O ZINC001392280704 888673584 /nfs/dbraw/zinc/67/35/84/888673584.db2.gz WLMLDNITIOMCNT-UHFFFAOYSA-N 1 2 288.348 -2.033 20 0 CAADLO Cc1noc(C[NH2+]C[C@H](O)CNC(=O)C2=COCCO2)n1 ZINC001392353370 888681272 /nfs/dbraw/zinc/68/12/72/888681272.db2.gz RMYBLFHOQDRINZ-VIFPVBQESA-N 1 2 298.299 -1.167 20 0 CAADLO NC(=O)C[NH2+]C[C@H](O)CNC(=O)C(F)C(F)(F)F ZINC001392375365 888687292 /nfs/dbraw/zinc/68/72/92/888687292.db2.gz IGTIZVBDBSKFFV-NJGYIYPDSA-N 1 2 275.202 -1.561 20 0 CAADLO NC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@H](F)C(F)(F)F ZINC001392375365 888687297 /nfs/dbraw/zinc/68/72/97/888687297.db2.gz IGTIZVBDBSKFFV-NJGYIYPDSA-N 1 2 275.202 -1.561 20 0 CAADLO Cc1nnc(C[NH2+]C[C@H](O)CNC(=O)c2cnnn2C)o1 ZINC001392369508 888687976 /nfs/dbraw/zinc/68/79/76/888687976.db2.gz RURODSKRHXWUML-QMMMGPOBSA-N 1 2 295.303 -1.613 20 0 CAADLO NC(=O)C[NH2+]C[C@H](O)CNC(=O)c1[nH]nc2c1CCC2 ZINC001392388476 888690297 /nfs/dbraw/zinc/69/02/97/888690297.db2.gz OVWZHPCOFXWJPP-ZETCQYMHSA-N 1 2 281.316 -1.936 20 0 CAADLO Cc1cc(C[NH2+]C[C@@H](O)CNC(=O)c2ncn[nH]2)on1 ZINC001392408982 888697288 /nfs/dbraw/zinc/69/72/88/888697288.db2.gz KNPCTUABYQQAHG-MRVPVSSYSA-N 1 2 280.288 -1.018 20 0 CAADLO Cc1cc(C[NH2+]C[C@@H](O)CNC(=O)c2nc[nH]n2)on1 ZINC001392408982 888697295 /nfs/dbraw/zinc/69/72/95/888697295.db2.gz KNPCTUABYQQAHG-MRVPVSSYSA-N 1 2 280.288 -1.018 20 0 CAADLO Cn1ccnc1C[NH2+]C[C@@H](O)CNC(=O)Cc1nnc[nH]1 ZINC001392418289 888703323 /nfs/dbraw/zinc/70/33/23/888703323.db2.gz FZBMUWZYQIXDLW-SECBINFHSA-N 1 2 293.331 -1.652 20 0 CAADLO O=C(Cc1nc[nH]n1)NC[C@@H](O)C[NH2+]Cc1cnsn1 ZINC001392427450 888707096 /nfs/dbraw/zinc/70/70/96/888707096.db2.gz PTGMLKCHDHIMBA-QMMMGPOBSA-N 1 2 297.344 -1.534 20 0 CAADLO C[C@H](C[NH2+]Cc1nc(=O)n(C)[nH]1)NC(=O)Cc1cc[nH]n1 ZINC001392468249 888710647 /nfs/dbraw/zinc/71/06/47/888710647.db2.gz YQONESWCIXZWBJ-MRVPVSSYSA-N 1 2 293.331 -1.332 20 0 CAADLO C[C@H](CNC(=O)Cn1cc[nH+]c1)NC(=O)c1cnn(C)n1 ZINC001392483461 888715197 /nfs/dbraw/zinc/71/51/97/888715197.db2.gz HPVDBIWZGXLRMX-SECBINFHSA-N 1 2 291.315 -1.054 20 0 CAADLO C[C@H](C[NH2+]Cc1cn(C)nn1)NC(=O)Cc1nnc[nH]1 ZINC001392526000 888720535 /nfs/dbraw/zinc/72/05/35/888720535.db2.gz RSAWFMVRTZVIBN-MRVPVSSYSA-N 1 2 278.320 -1.230 20 0 CAADLO C[C@@H](C[NH2+][C@@H](C)c1nnnn1C)NC(=O)c1nnc[nH]1 ZINC001392603471 888723793 /nfs/dbraw/zinc/72/37/93/888723793.db2.gz VBULGZYFBBEHDV-BQBZGAKWSA-N 1 2 279.308 -1.203 20 0 CAADLO C[C@H](CNC(=O)c1nnn(C)n1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001392563361 888723841 /nfs/dbraw/zinc/72/38/41/888723841.db2.gz MAHAVBSEONTAJO-SSDOTTSWSA-N 1 2 292.303 -1.590 20 0 CAADLO COC(=O)NCC(=O)N[C@@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001392706022 888731646 /nfs/dbraw/zinc/73/16/46/888731646.db2.gz GJKDQJRAOIYJFE-VIFPVBQESA-N 1 2 297.315 -1.140 20 0 CAADLO CNC(=O)[C@H](C)[N@H+](C)C[C@@H](C)NC(=O)Cc1nnc[nH]1 ZINC001392727726 888736644 /nfs/dbraw/zinc/73/66/44/888736644.db2.gz UFZCTCPHBSLNCH-BDAKNGLRSA-N 1 2 282.348 -1.082 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+](C)C[C@@H](C)NC(=O)Cc1nnc[nH]1 ZINC001392727726 888736651 /nfs/dbraw/zinc/73/66/51/888736651.db2.gz UFZCTCPHBSLNCH-BDAKNGLRSA-N 1 2 282.348 -1.082 20 0 CAADLO CCC(=O)NCC(=O)NC[C@H]1CC[N@H+]1[C@@H](CC)C(N)=O ZINC001392825472 888739255 /nfs/dbraw/zinc/73/92/55/888739255.db2.gz SIHYTANKTPDUDS-ZJUUUORDSA-N 1 2 284.360 -1.033 20 0 CAADLO CCC(=O)NCC(=O)NC[C@H]1CC[N@@H+]1[C@@H](CC)C(N)=O ZINC001392825472 888739273 /nfs/dbraw/zinc/73/92/73/888739273.db2.gz SIHYTANKTPDUDS-ZJUUUORDSA-N 1 2 284.360 -1.033 20 0 CAADLO CCC(=O)NCC(=O)NC[C@@H]1CC[N@@H+]1[C@H]1CCNC1=O ZINC001392820982 888739308 /nfs/dbraw/zinc/73/93/08/888739308.db2.gz GTYLLFXGMOXZGD-UWVGGRQHSA-N 1 2 282.344 -1.408 20 0 CAADLO CCC(=O)NCC(=O)NC[C@@H]1CC[N@H+]1[C@H]1CCNC1=O ZINC001392820982 888739322 /nfs/dbraw/zinc/73/93/22/888739322.db2.gz GTYLLFXGMOXZGD-UWVGGRQHSA-N 1 2 282.344 -1.408 20 0 CAADLO CC(=O)NCC(=O)NC[C@H]1CC[N@H+]1[C@@H](C)C(=O)N(C)C ZINC001392818277 888739675 /nfs/dbraw/zinc/73/96/75/888739675.db2.gz WBUUSLPDDZAFSQ-GXSJLCMTSA-N 1 2 284.360 -1.210 20 0 CAADLO CC(=O)NCC(=O)NC[C@H]1CC[N@@H+]1[C@@H](C)C(=O)N(C)C ZINC001392818277 888739683 /nfs/dbraw/zinc/73/96/83/888739683.db2.gz WBUUSLPDDZAFSQ-GXSJLCMTSA-N 1 2 284.360 -1.210 20 0 CAADLO O=C(Cn1cnnn1)NC[C@@H]1CC[N@@H+]1[C@H]1CCCNC1=O ZINC001392815499 888740378 /nfs/dbraw/zinc/74/03/78/888740378.db2.gz SITAIQSJZMDSJA-UWVGGRQHSA-N 1 2 293.331 -1.858 20 0 CAADLO O=C(Cn1cnnn1)NC[C@@H]1CC[N@H+]1[C@H]1CCCNC1=O ZINC001392815499 888740384 /nfs/dbraw/zinc/74/03/84/888740384.db2.gz SITAIQSJZMDSJA-UWVGGRQHSA-N 1 2 293.331 -1.858 20 0 CAADLO CCC(=O)NCC(=O)NC[C@H]1CC[N@@H+]1[C@@H]1CCNC1=O ZINC001392820981 888740504 /nfs/dbraw/zinc/74/05/04/888740504.db2.gz GTYLLFXGMOXZGD-NXEZZACHSA-N 1 2 282.344 -1.408 20 0 CAADLO CCC(=O)NCC(=O)NC[C@H]1CC[N@H+]1[C@@H]1CCNC1=O ZINC001392820981 888740520 /nfs/dbraw/zinc/74/05/20/888740520.db2.gz GTYLLFXGMOXZGD-NXEZZACHSA-N 1 2 282.344 -1.408 20 0 CAADLO CC(=O)NCC(=O)NC[C@@H]1CC[N@H+]1CC(=O)N(C)C ZINC001392813381 888740794 /nfs/dbraw/zinc/74/07/94/888740794.db2.gz ODQAUAWDALDXBP-JTQLQIEISA-N 1 2 270.333 -1.599 20 0 CAADLO CC(=O)NCC(=O)NC[C@@H]1CC[N@@H+]1CC(=O)N(C)C ZINC001392813381 888740803 /nfs/dbraw/zinc/74/08/03/888740803.db2.gz ODQAUAWDALDXBP-JTQLQIEISA-N 1 2 270.333 -1.599 20 0 CAADLO CN1CC[C@H]([N@@H+]2CC[C@@H]2CNC(=O)Cn2cnnn2)C1=O ZINC001392809280 888741276 /nfs/dbraw/zinc/74/12/76/888741276.db2.gz FEDGFANQUARBKZ-ZJUUUORDSA-N 1 2 293.331 -1.906 20 0 CAADLO CN1CC[C@H]([N@H+]2CC[C@@H]2CNC(=O)Cn2cnnn2)C1=O ZINC001392809280 888741290 /nfs/dbraw/zinc/74/12/90/888741290.db2.gz FEDGFANQUARBKZ-ZJUUUORDSA-N 1 2 293.331 -1.906 20 0 CAADLO CCC(=O)NCC(=O)NC[C@H]1CC[N@H+]1[C@H](CC)C(N)=O ZINC001392825467 888741675 /nfs/dbraw/zinc/74/16/75/888741675.db2.gz SIHYTANKTPDUDS-NXEZZACHSA-N 1 2 284.360 -1.033 20 0 CAADLO O=C(Cn1cncn1)NC[C@@H]1CC[N@@H+]1CC(=O)N1CCC1 ZINC001392866999 888743584 /nfs/dbraw/zinc/74/35/84/888743584.db2.gz KMJPMUSNIDIYSH-NSHDSACASA-N 1 2 292.343 -1.299 20 0 CAADLO O=C(Cn1cncn1)NC[C@@H]1CC[N@H+]1CC(=O)N1CCC1 ZINC001392866999 888743604 /nfs/dbraw/zinc/74/36/04/888743604.db2.gz KMJPMUSNIDIYSH-NSHDSACASA-N 1 2 292.343 -1.299 20 0 CAADLO COC[C@@H](O)C[N@@H+]1CC[C@@H]1CNC(=O)CCc1cnn[nH]1 ZINC001392855106 888743845 /nfs/dbraw/zinc/74/38/45/888743845.db2.gz XVHMPGLZBIUTOZ-NEPJUHHUSA-N 1 2 297.359 -1.065 20 0 CAADLO COC[C@@H](O)C[N@H+]1CC[C@@H]1CNC(=O)CCc1cnn[nH]1 ZINC001392855106 888743859 /nfs/dbraw/zinc/74/38/59/888743859.db2.gz XVHMPGLZBIUTOZ-NEPJUHHUSA-N 1 2 297.359 -1.065 20 0 CAADLO CC(=O)NCC(=O)NCC1([NH2+][C@@H](C)c2nnnn2C)CC1 ZINC001392879682 888744086 /nfs/dbraw/zinc/74/40/86/888744086.db2.gz TXSFNUQFCDZLOY-QMMMGPOBSA-N 1 2 295.347 -1.354 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+]1CC[C@@H]1CNC(=O)CCn1ccnn1 ZINC001392835867 888744301 /nfs/dbraw/zinc/74/43/01/888744301.db2.gz YQDXJAFIGZGPQB-GHMZBOCLSA-N 1 2 294.359 -1.007 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+]1CC[C@@H]1CNC(=O)CCn1ccnn1 ZINC001392835867 888744310 /nfs/dbraw/zinc/74/43/10/888744310.db2.gz YQDXJAFIGZGPQB-GHMZBOCLSA-N 1 2 294.359 -1.007 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+]1CC[C@H]1CNC(=O)CCn1ccnn1 ZINC001392835875 888744446 /nfs/dbraw/zinc/74/44/46/888744446.db2.gz YQDXJAFIGZGPQB-MNOVXSKESA-N 1 2 294.359 -1.007 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+]1CC[C@H]1CNC(=O)CCn1ccnn1 ZINC001392835875 888744450 /nfs/dbraw/zinc/74/44/50/888744450.db2.gz YQDXJAFIGZGPQB-MNOVXSKESA-N 1 2 294.359 -1.007 20 0 CAADLO O=C(Cn1ncnn1)NC[C@@H]1CC[N@@H+]1CC(=O)N1CCC1 ZINC001392836863 888744548 /nfs/dbraw/zinc/74/45/48/888744548.db2.gz PCUIWRZTGKTQPU-JTQLQIEISA-N 1 2 293.331 -1.904 20 0 CAADLO O=C(Cn1ncnn1)NC[C@@H]1CC[N@H+]1CC(=O)N1CCC1 ZINC001392836863 888744551 /nfs/dbraw/zinc/74/45/51/888744551.db2.gz PCUIWRZTGKTQPU-JTQLQIEISA-N 1 2 293.331 -1.904 20 0 CAADLO C[C@@H](CC(N)=O)C(=O)NC[C@H]1CC[N@@H+]1CC(=O)N(C)C ZINC001392850458 888744617 /nfs/dbraw/zinc/74/46/17/888744617.db2.gz CGPYXORODUSNLJ-VHSXEESVSA-N 1 2 284.360 -1.223 20 0 CAADLO C[C@@H](CC(N)=O)C(=O)NC[C@H]1CC[N@H+]1CC(=O)N(C)C ZINC001392850458 888744620 /nfs/dbraw/zinc/74/46/20/888744620.db2.gz CGPYXORODUSNLJ-VHSXEESVSA-N 1 2 284.360 -1.223 20 0 CAADLO C[C@@H](CNC(=O)c1cn(C)nn1)NC(=O)Cn1cc[nH+]c1 ZINC001392911898 888746799 /nfs/dbraw/zinc/74/67/99/888746799.db2.gz YSLZRQOQWLQSDP-VIFPVBQESA-N 1 2 291.315 -1.054 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(N(C)C(=O)[C@@H]2COC(=O)N2)C1 ZINC001392996888 888751683 /nfs/dbraw/zinc/75/16/83/888751683.db2.gz IBADMXRVDJHQQE-UWVGGRQHSA-N 1 2 287.316 -1.755 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(N(C)C(=O)c2n[nH]nc2C)C1 ZINC001393011349 888752240 /nfs/dbraw/zinc/75/22/40/888752240.db2.gz SFVGXMRDLUITQX-JTQLQIEISA-N 1 2 283.332 -1.123 20 0 CAADLO C[C@@H](O)C[NH+]1CC(N(C)C(=O)CS(=O)(=O)N(C)C)C1 ZINC001393020885 888752628 /nfs/dbraw/zinc/75/26/28/888752628.db2.gz OGESPJFLRXDZIX-SECBINFHSA-N 1 2 293.389 -1.599 20 0 CAADLO COCC(=O)NC[C@@]1(O)CC[N@H+](Cc2cn(C)nn2)C1 ZINC001393243927 888764914 /nfs/dbraw/zinc/76/49/14/888764914.db2.gz ROQHMUAUVVPUNE-LBPRGKRZSA-N 1 2 283.332 -1.486 20 0 CAADLO COCC(=O)NC[C@@]1(O)CC[N@@H+](Cc2cn(C)nn2)C1 ZINC001393243927 888764918 /nfs/dbraw/zinc/76/49/18/888764918.db2.gz ROQHMUAUVVPUNE-LBPRGKRZSA-N 1 2 283.332 -1.486 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)Cc2nc[nH]n2)C1 ZINC001393280823 888769197 /nfs/dbraw/zinc/76/91/97/888769197.db2.gz GKPRSUORBLXPGG-LLVKDONJSA-N 1 2 282.304 -2.615 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)Cc2nc[nH]n2)C1 ZINC001393280823 888769212 /nfs/dbraw/zinc/76/92/12/888769212.db2.gz GKPRSUORBLXPGG-LLVKDONJSA-N 1 2 282.304 -2.615 20 0 CAADLO COC[C@H](C)[NH+]1CC(O)(CNC(=O)[C@H]2COCCO2)C1 ZINC001393295399 888771274 /nfs/dbraw/zinc/77/12/74/888771274.db2.gz HNKWVOHXZISDHN-WDEREUQCSA-N 1 2 288.344 -1.400 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(O)(CNC(=O)C(C)(C)F)C1 ZINC001393292599 888771282 /nfs/dbraw/zinc/77/12/82/888771282.db2.gz WBDRAOHATVKPSX-VIFPVBQESA-N 1 2 278.324 -1.095 20 0 CAADLO COC[C@@H](C)[NH+]1CC(O)(CNC(=O)[C@@H]2COCCO2)C1 ZINC001393295391 888773128 /nfs/dbraw/zinc/77/31/28/888773128.db2.gz HNKWVOHXZISDHN-MNOVXSKESA-N 1 2 288.344 -1.400 20 0 CAADLO C[C@H](O)C[NH+]1CC(O)(CNC(=O)COCC2CC2)C1 ZINC001393298983 888774496 /nfs/dbraw/zinc/77/44/96/888774496.db2.gz UBRXJTXTZIQJGD-JTQLQIEISA-N 1 2 272.345 -1.043 20 0 CAADLO O=C(C[C@H]1COC(=O)C1)NCC1(O)C[NH+](CCCO)C1 ZINC001393314824 888774952 /nfs/dbraw/zinc/77/49/52/888774952.db2.gz UQWGEMMDRPPQCI-SNVBAGLBSA-N 1 2 286.328 -1.515 20 0 CAADLO CO[C@@H](C)C[NH+]1CC(O)(CNC(=O)CCc2nnc[nH]2)C1 ZINC001393305851 888774997 /nfs/dbraw/zinc/77/49/97/888774997.db2.gz BTVUUINRCTYTSV-JTQLQIEISA-N 1 2 297.359 -1.065 20 0 CAADLO C[C@@H](O)C[NH+]1CC(O)(CNC(=O)[C@H](C)NC(N)=O)C1 ZINC001393301736 888775091 /nfs/dbraw/zinc/77/50/91/888775091.db2.gz GSCLCNDZMXMFHL-SFYZADRCSA-N 1 2 274.321 -2.413 20 0 CAADLO C[C@@H](O)C[NH+]1CC(O)(CNC(=O)COCC2CC2)C1 ZINC001393298984 888775872 /nfs/dbraw/zinc/77/58/72/888775872.db2.gz UBRXJTXTZIQJGD-SNVBAGLBSA-N 1 2 272.345 -1.043 20 0 CAADLO O=C(NCC1(O)C[NH+](CCCO)C1)c1cccc(=O)[nH]1 ZINC001393305783 888776103 /nfs/dbraw/zinc/77/61/03/888776103.db2.gz ALURIMKVIGCQHN-UHFFFAOYSA-N 1 2 281.312 -1.054 20 0 CAADLO CO[C@H](C)C[NH+]1CC(O)(CNC(=O)[C@@H]2CC(=O)N(C)C2)C1 ZINC001393316037 888776308 /nfs/dbraw/zinc/77/63/08/888776308.db2.gz NRFMWVYHNYCPFA-GHMZBOCLSA-N 1 2 299.371 -1.338 20 0 CAADLO COC[C@@H](C)[NH+]1CC(O)(CNC(=O)CN(C)C(C)=O)C1 ZINC001393299475 888776351 /nfs/dbraw/zinc/77/63/51/888776351.db2.gz WFUVLSLTFLNITD-SNVBAGLBSA-N 1 2 287.360 -1.338 20 0 CAADLO C[C@@H](O)C[NH+]1CC(O)(CNC(=O)c2nnn(C)n2)C1 ZINC001393331490 888777461 /nfs/dbraw/zinc/77/74/61/888777461.db2.gz GDPQDIIIRSGAGZ-SSDOTTSWSA-N 1 2 270.293 -2.633 20 0 CAADLO C[C@H](O)C[NH+]1CC(O)(CNC(=O)CCc2ccn(C)n2)C1 ZINC001393320971 888777626 /nfs/dbraw/zinc/77/76/26/888777626.db2.gz UHVJVMVWUQYQCA-NSHDSACASA-N 1 2 296.371 -1.104 20 0 CAADLO C[C@H](O)C[NH+]1CC(O)(CNC(=O)C[C@@H]2CCNC2=O)C1 ZINC001393320182 888777667 /nfs/dbraw/zinc/77/76/67/888777667.db2.gz RIBNECFSYGJDIK-UWVGGRQHSA-N 1 2 285.344 -1.944 20 0 CAADLO COCC[NH+]1CC(O)(CNC(=O)c2ccn(C)c(=O)c2)C1 ZINC001393331181 888778215 /nfs/dbraw/zinc/77/82/15/888778215.db2.gz QAQSARXSARUYPS-UHFFFAOYSA-N 1 2 295.339 -1.192 20 0 CAADLO C[C@@H](O)C[NH+]1CC(O)(CNC(=O)C[C@@H]2CCNC2=O)C1 ZINC001393320190 888778361 /nfs/dbraw/zinc/77/83/61/888778361.db2.gz RIBNECFSYGJDIK-ZJUUUORDSA-N 1 2 285.344 -1.944 20 0 CAADLO C[C@@H](O)C[NH+]1CC(O)(CNC(=O)[C@@H](C)CC(N)=O)C1 ZINC001393325892 888778505 /nfs/dbraw/zinc/77/85/05/888778505.db2.gz JAFSMTVONPCTHS-DTWKUNHWSA-N 1 2 273.333 -1.958 20 0 CAADLO NC(=O)[C@@H]1CC[C@H]1C(=O)NCC1(O)C[NH+](CCCO)C1 ZINC001393325580 888779036 /nfs/dbraw/zinc/77/90/36/888779036.db2.gz HIGCZZVSGLNKMQ-NXEZZACHSA-N 1 2 285.344 -1.957 20 0 CAADLO O=C(NCC1(O)C[NH+](CCCO)C1)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001393330574 888779264 /nfs/dbraw/zinc/77/92/64/888779264.db2.gz XKFIAOQICWSMFD-FHUSYTEZSA-N 1 2 296.367 -1.045 20 0 CAADLO NC(=O)[C@H]1CC[C@@H]1C(=O)NCC1(O)C[NH+](CCCO)C1 ZINC001393325585 888779626 /nfs/dbraw/zinc/77/96/26/888779626.db2.gz HIGCZZVSGLNKMQ-UWVGGRQHSA-N 1 2 285.344 -1.957 20 0 CAADLO C[C@@H](O)C[NH+]1CC(O)(CNC(=O)[C@H](C)CC(N)=O)C1 ZINC001393325899 888779641 /nfs/dbraw/zinc/77/96/41/888779641.db2.gz JAFSMTVONPCTHS-RKDXNWHRSA-N 1 2 273.333 -1.958 20 0 CAADLO COC[C@@H](C)[NH+]1CC(O)(CNC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001393336588 888781649 /nfs/dbraw/zinc/78/16/49/888781649.db2.gz ASJHEDYGJDDHOE-BBBLOLIVSA-N 1 2 285.344 -1.694 20 0 CAADLO C[NH+](C)CCC(=O)NCC1(O)CN(Cc2n[nH]c(=O)[nH]2)C1 ZINC001393343113 888781671 /nfs/dbraw/zinc/78/16/71/888781671.db2.gz VHDQCGPFNFYKGY-UHFFFAOYSA-N 1 2 298.347 -1.875 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(O)(CNC(=O)Cc2ccco2)C1 ZINC001393346424 888782506 /nfs/dbraw/zinc/78/25/06/888782506.db2.gz LWZGICPOJIICSC-NSHDSACASA-N 1 2 298.339 -1.008 20 0 CAADLO O=C(Cc1[nH]cc[nH+]1)NCC1(O)CN([C@H]2CCNC2=O)C1 ZINC001393339736 888782977 /nfs/dbraw/zinc/78/29/77/888782977.db2.gz ISLDOEZOWFCVJW-VIFPVBQESA-N 1 2 293.327 -1.996 20 0 CAADLO O=C(C[C@@H]1CCC(=O)N1)NCC1(O)C[NH+](CCCO)C1 ZINC001393348425 888783072 /nfs/dbraw/zinc/78/30/72/888783072.db2.gz QKRYKCZNNLJNNN-JTQLQIEISA-N 1 2 285.344 -1.800 20 0 CAADLO C[C@@H]([NH2+]CC(N)=O)[C@@H]1CCN(C(=O)Cc2ncn[nH]2)C1 ZINC001393380317 888785299 /nfs/dbraw/zinc/78/52/99/888785299.db2.gz DOEJZFNKQQOZSJ-RKDXNWHRSA-N 1 2 280.332 -1.341 20 0 CAADLO CNC(=O)C[N@@H+]1CCC[C@@](CO)(NC(=O)[C@@H]2CCCO2)C1 ZINC001393441169 888785658 /nfs/dbraw/zinc/78/56/58/888785658.db2.gz UTLWDJUJBCQDJL-SMDDNHRTSA-N 1 2 299.371 -1.146 20 0 CAADLO CNC(=O)C[N@H+]1CCC[C@@](CO)(NC(=O)[C@@H]2CCCO2)C1 ZINC001393441169 888785673 /nfs/dbraw/zinc/78/56/73/888785673.db2.gz UTLWDJUJBCQDJL-SMDDNHRTSA-N 1 2 299.371 -1.146 20 0 CAADLO C[C@H]([NH2+]CC(N)=O)[C@H]1CCN(C(=O)Cc2ncn[nH]2)C1 ZINC001393380315 888786250 /nfs/dbraw/zinc/78/62/50/888786250.db2.gz DOEJZFNKQQOZSJ-IUCAKERBSA-N 1 2 280.332 -1.341 20 0 CAADLO O=C(N[C@@]1(CO)CCC[N@@H+](CCCO)C1)c1nc[nH]n1 ZINC001393446338 888786542 /nfs/dbraw/zinc/78/65/42/888786542.db2.gz JTPXJFOVEYNDEU-LBPRGKRZSA-N 1 2 283.332 -1.256 20 0 CAADLO O=C(N[C@@]1(CO)CCC[N@H+](CCCO)C1)c1nc[nH]n1 ZINC001393446338 888786554 /nfs/dbraw/zinc/78/65/54/888786554.db2.gz JTPXJFOVEYNDEU-LBPRGKRZSA-N 1 2 283.332 -1.256 20 0 CAADLO NC(=O)CCCC(=O)NC[C@H]1COCC[N@@H+]1CCCO ZINC001393520495 888789568 /nfs/dbraw/zinc/78/95/68/888789568.db2.gz IBXZJNNFWISYDQ-NSHDSACASA-N 1 2 287.360 -1.159 20 0 CAADLO NC(=O)CCCC(=O)NC[C@H]1COCC[N@H+]1CCCO ZINC001393520495 888789575 /nfs/dbraw/zinc/78/95/75/888789575.db2.gz IBXZJNNFWISYDQ-NSHDSACASA-N 1 2 287.360 -1.159 20 0 CAADLO CC[N@@H+]1CCOC[C@H]1CNC(=O)CCn1ncn(C)c1=O ZINC001393509909 888790423 /nfs/dbraw/zinc/79/04/23/888790423.db2.gz LDAYUKFQBCIITQ-LLVKDONJSA-N 1 2 297.359 -1.191 20 0 CAADLO CC[N@H+]1CCOC[C@H]1CNC(=O)CCn1ncn(C)c1=O ZINC001393509909 888790437 /nfs/dbraw/zinc/79/04/37/888790437.db2.gz LDAYUKFQBCIITQ-LLVKDONJSA-N 1 2 297.359 -1.191 20 0 CAADLO C[C@@H](O)C[N@@H+]1CCOC[C@H]1CNC(=O)CCn1ccnn1 ZINC001393512809 888790862 /nfs/dbraw/zinc/79/08/62/888790862.db2.gz RMQDPWMDLLSPII-VXGBXAGGSA-N 1 2 297.359 -1.134 20 0 CAADLO C[C@@H](O)C[N@H+]1CCOC[C@H]1CNC(=O)CCn1ccnn1 ZINC001393512809 888790881 /nfs/dbraw/zinc/79/08/81/888790881.db2.gz RMQDPWMDLLSPII-VXGBXAGGSA-N 1 2 297.359 -1.134 20 0 CAADLO O=C(C[C@@H]1CCC(=O)N1)NC[C@@H]1COCC[N@H+]1CCCO ZINC001393528576 888791213 /nfs/dbraw/zinc/79/12/13/888791213.db2.gz VTIWILSEYHJKFY-NWDGAFQWSA-N 1 2 299.371 -1.146 20 0 CAADLO O=C(C[C@@H]1CCC(=O)N1)NC[C@@H]1COCC[N@@H+]1CCCO ZINC001393528576 888791219 /nfs/dbraw/zinc/79/12/19/888791219.db2.gz VTIWILSEYHJKFY-NWDGAFQWSA-N 1 2 299.371 -1.146 20 0 CAADLO C[C@@H](O)C[N@@H+]1CCOC[C@H]1CNC(=O)CCNC(N)=O ZINC001393512308 888792379 /nfs/dbraw/zinc/79/23/79/888792379.db2.gz MMDVOWRYJKMEOA-NXEZZACHSA-N 1 2 288.348 -1.757 20 0 CAADLO C[C@@H](O)C[N@H+]1CCOC[C@H]1CNC(=O)CCNC(N)=O ZINC001393512308 888792391 /nfs/dbraw/zinc/79/23/91/888792391.db2.gz MMDVOWRYJKMEOA-NXEZZACHSA-N 1 2 288.348 -1.757 20 0 CAADLO CCOCC(=O)N1CC[C@@H]([NH+]2CCN(CC(N)=O)CC2)C1 ZINC001393586679 888793627 /nfs/dbraw/zinc/79/36/27/888793627.db2.gz KRAXMLIARQXXOG-GFCCVEGCSA-N 1 2 298.387 -1.273 20 0 CAADLO NC(=O)CCCC(=O)N[C@H]1COC2(C[NH+](CCO)C2)C1 ZINC001393670754 888798009 /nfs/dbraw/zinc/79/80/09/888798009.db2.gz FHZBUZBDDUEAFK-SNVBAGLBSA-N 1 2 285.344 -1.406 20 0 CAADLO CC(=O)NCC(=O)NC1(CNC(=O)Cn2cc[nH+]c2)CC1 ZINC001393720357 888798206 /nfs/dbraw/zinc/79/82/06/888798206.db2.gz DJLUKHVSNUSCAC-UHFFFAOYSA-N 1 2 293.327 -1.216 20 0 CAADLO CC(=O)N(C)CC(=O)N[C@@H]1COC2(C[NH+](CCCO)C2)C1 ZINC001393665901 888798353 /nfs/dbraw/zinc/79/83/53/888798353.db2.gz MUSVLWJONYSILQ-LBPRGKRZSA-N 1 2 299.371 -1.193 20 0 CAADLO CC[C@@H](NC(C)=O)C(=O)N[C@H]1COC2(C[NH+](CCO)C2)C1 ZINC001393657155 888799370 /nfs/dbraw/zinc/79/93/70/888799370.db2.gz HGCTXVAHDUEBMQ-VXGBXAGGSA-N 1 2 299.371 -1.147 20 0 CAADLO O=C(Cn1ncnn1)NC[C@H]1CCC2(C[NH+](CCO)C2)O1 ZINC001393653749 888799734 /nfs/dbraw/zinc/79/97/34/888799734.db2.gz FHEHDVUMJCZGOO-SNVBAGLBSA-N 1 2 296.331 -1.985 20 0 CAADLO O=C(Cc1nc[nH]n1)NC[C@H]1CCC2(C[NH+](CCO)C2)O1 ZINC001393672352 888799995 /nfs/dbraw/zinc/79/99/95/888799995.db2.gz RQSJHOITOCOXGF-SNVBAGLBSA-N 1 2 295.343 -1.311 20 0 CAADLO Cc1c[nH]c(C(=O)NC2(CO)CC[NH+](CC(N)=O)CC2)n1 ZINC001393845498 888806082 /nfs/dbraw/zinc/80/60/82/888806082.db2.gz AMOUCILHFDRWSF-UHFFFAOYSA-N 1 2 295.343 -1.240 20 0 CAADLO Cn1nccc1C(=O)NC1(CO)CC[NH+](CC(N)=O)CC1 ZINC001393847645 888806507 /nfs/dbraw/zinc/80/65/07/888806507.db2.gz ZSLMNXBTFXNQBX-UHFFFAOYSA-N 1 2 295.343 -1.538 20 0 CAADLO CC(=O)NC1(CO)CC[NH+](CC(=O)NC(N)=O)CC1 ZINC001393837526 888806712 /nfs/dbraw/zinc/80/67/12/888806712.db2.gz VEGLGSUHWQCBBP-UHFFFAOYSA-N 1 2 272.305 -1.856 20 0 CAADLO Cc1nonc1C(=O)NC1(CO)CC[NH+](CC(N)=O)CC1 ZINC001393853699 888806837 /nfs/dbraw/zinc/80/68/37/888806837.db2.gz WRRLEYNONVJCOA-UHFFFAOYSA-N 1 2 297.315 -1.580 20 0 CAADLO NC(=O)C[NH+]1CCC(CO)(NC(=O)c2ccncn2)CC1 ZINC001393846612 888808333 /nfs/dbraw/zinc/80/83/33/888808333.db2.gz JNSDFSQOAZSYDN-UHFFFAOYSA-N 1 2 293.327 -1.481 20 0 CAADLO Cc1c(C(=O)NC2(CCO)C[NH+](C[C@@H](C)O)C2)nnn1C ZINC001394145547 888815698 /nfs/dbraw/zinc/81/56/98/888815698.db2.gz BEOXOCZIJZSRTR-SECBINFHSA-N 1 2 297.359 -1.329 20 0 CAADLO O=C(NC1(CCO)C[NH+](CCO)C1)c1cc[nH]c(=O)c1 ZINC001394149839 888816537 /nfs/dbraw/zinc/81/65/37/888816537.db2.gz YEGKVEYPLPWRNE-UHFFFAOYSA-N 1 2 281.312 -1.054 20 0 CAADLO C[C@@H](NC(=O)CCS(C)(=O)=O)C1C[NH+](CCO)C1 ZINC001394248911 888825688 /nfs/dbraw/zinc/82/56/88/888825688.db2.gz VQIHRAVEVYDSHY-SECBINFHSA-N 1 2 278.374 -1.150 20 0 CAADLO Cc1nn(C)cc1CC(=O)NC1(CCO)C[NH+](CCO)C1 ZINC001394151047 888817545 /nfs/dbraw/zinc/81/75/45/888817545.db2.gz DOLPKNJXLUXXQX-UHFFFAOYSA-N 1 2 296.371 -1.184 20 0 CAADLO C[N@@H+]1CCO[C@H](C(=O)NC2(CCO)CN(CCO)C2)C1 ZINC001394147604 888817931 /nfs/dbraw/zinc/81/79/31/888817931.db2.gz NMDLWKSYLKGONE-NSHDSACASA-N 1 2 287.360 -2.138 20 0 CAADLO C[N@H+]1CCO[C@H](C(=O)NC2(CCO)CN(CCO)C2)C1 ZINC001394147604 888817939 /nfs/dbraw/zinc/81/79/39/888817939.db2.gz NMDLWKSYLKGONE-NSHDSACASA-N 1 2 287.360 -2.138 20 0 CAADLO O=C(CN1CCCC1=O)NC1(CCO)C[NH+](CCO)C1 ZINC001394143221 888819082 /nfs/dbraw/zinc/81/90/82/888819082.db2.gz FPYOCRJETMTNQA-UHFFFAOYSA-N 1 2 285.344 -1.846 20 0 CAADLO Cc1c(C(=O)NC2(CCO)C[NH+](CCCO)C2)nnn1C ZINC001394147599 888819258 /nfs/dbraw/zinc/81/92/58/888819258.db2.gz NICCMJQPXLVUBN-UHFFFAOYSA-N 1 2 297.359 -1.327 20 0 CAADLO CC(=O)NCC(=O)NC1(CCO)C[NH+](C[C@@H](C)O)C1 ZINC001394137935 888819492 /nfs/dbraw/zinc/81/94/92/888819492.db2.gz VRWDCLIUYRNQQV-SECBINFHSA-N 1 2 273.333 -1.944 20 0 CAADLO CCOCC(=O)N[C@@H](C)C1C[NH+](CC(=O)NC(N)=O)C1 ZINC001394220196 888820992 /nfs/dbraw/zinc/82/09/92/888820992.db2.gz RNXSJKMQWDRMEY-QMMMGPOBSA-N 1 2 286.332 -1.346 20 0 CAADLO COCC[NH+]1CC(CCO)(NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001394157011 888821410 /nfs/dbraw/zinc/82/14/10/888821410.db2.gz INSCUHDXTUSPTL-VIFPVBQESA-N 1 2 286.332 -2.133 20 0 CAADLO CN1CC[C@H](C(=O)NC2(CCO)C[NH+](CCO)C2)CC1=O ZINC001394154603 888821561 /nfs/dbraw/zinc/82/15/61/888821561.db2.gz KWNVDAFWNLLXGZ-NSHDSACASA-N 1 2 299.371 -1.600 20 0 CAADLO Cc1nc[nH]c(=O)c1C(=O)NC1(CCO)C[NH+](CCO)C1 ZINC001394157455 888821815 /nfs/dbraw/zinc/82/18/15/888821815.db2.gz LJKDWPUSWQZXEW-UHFFFAOYSA-N 1 2 296.327 -1.350 20 0 CAADLO COC[C@@H](OC)C(=O)N[C@@H](C)C1C[NH+](CC(N)=O)C1 ZINC001394246265 888821974 /nfs/dbraw/zinc/82/19/74/888821974.db2.gz HCVQXDDOVKDEPB-WCBMZHEXSA-N 1 2 273.333 -1.430 20 0 CAADLO Cn1cc(CCC(=O)NC2(CCO)C[NH+](CCO)C2)cn1 ZINC001394170829 888822186 /nfs/dbraw/zinc/82/21/86/888822186.db2.gz LPFYFOLIQTWEDF-UHFFFAOYSA-N 1 2 296.371 -1.102 20 0 CAADLO CNC(=O)C[NH+]1CC([C@H](C)NC(=O)Cn2ncnn2)C1 ZINC001394236506 888822236 /nfs/dbraw/zinc/82/22/36/888822236.db2.gz WIOBSFDSLCQOKJ-QMMMGPOBSA-N 1 2 281.320 -2.144 20 0 CAADLO C[C@H](O)C[NH+]1CC(CCO)(NC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001394159444 888822549 /nfs/dbraw/zinc/82/25/49/888822549.db2.gz VQMMNKFVZNYJNJ-NNYUYHANSA-N 1 2 284.356 -1.187 20 0 CAADLO O=C(NC1(CCO)C[NH+](CCO)C1)[C@@H]1CCNC(=O)CC1 ZINC001394156765 888822656 /nfs/dbraw/zinc/82/26/56/888822656.db2.gz QMIZHXSHNZCDAN-NSHDSACASA-N 1 2 299.371 -1.552 20 0 CAADLO O=C(CCn1cnnn1)NC1(CCO)C[NH+](CCO)C1 ZINC001394160190 888822680 /nfs/dbraw/zinc/82/26/80/888822680.db2.gz DECGZZITHYRBAJ-UHFFFAOYSA-N 1 2 284.320 -2.392 20 0 CAADLO C[C@@H](C(N)=O)N1CC(CCO)(NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001394158145 888823248 /nfs/dbraw/zinc/82/32/48/888823248.db2.gz LVSOZXOOBTZBNJ-VIFPVBQESA-N 1 2 295.343 -1.621 20 0 CAADLO CN1CC[C@@H](C(=O)NC2(CCO)C[NH+](CCO)C2)CC1=O ZINC001394154602 888823821 /nfs/dbraw/zinc/82/38/21/888823821.db2.gz KWNVDAFWNLLXGZ-LLVKDONJSA-N 1 2 299.371 -1.600 20 0 CAADLO C[C@H]1OCC[C@H]1C(=O)NC1(CCO)C[NH+](CCO)C1 ZINC001394160821 888823876 /nfs/dbraw/zinc/82/38/76/888823876.db2.gz JDNGKISJZJOJLH-GHMZBOCLSA-N 1 2 272.345 -1.043 20 0 CAADLO COC[C@H](OC)C(=O)N[C@H](C)C1C[NH+](CC(N)=O)C1 ZINC001394246259 888823925 /nfs/dbraw/zinc/82/39/25/888823925.db2.gz HCVQXDDOVKDEPB-SCZZXKLOSA-N 1 2 273.333 -1.430 20 0 CAADLO CNS(=O)(=O)CC(=O)N[C@@H](C)C1C[NH+](CC(N)=O)C1 ZINC001394249317 888826561 /nfs/dbraw/zinc/82/65/61/888826561.db2.gz GHFODKYWMGHKSA-ZETCQYMHSA-N 1 2 292.361 -2.543 20 0 CAADLO Cn1ncnc1C[NH2+][C@@H](CO)CNC(=O)C1CCOCC1 ZINC001394562839 888833411 /nfs/dbraw/zinc/83/34/11/888833411.db2.gz IAPWODIVADDQCR-LLVKDONJSA-N 1 2 297.359 -1.192 20 0 CAADLO Cn1ncnc1C[NH2+][C@H](CO)CNC(=O)C1CCOCC1 ZINC001394562841 888833798 /nfs/dbraw/zinc/83/37/98/888833798.db2.gz IAPWODIVADDQCR-NSHDSACASA-N 1 2 297.359 -1.192 20 0 CAADLO Cn1cc(C[NH2+][C@H](CO)CNC(=O)[C@H]2COCCO2)nn1 ZINC001394568279 888834479 /nfs/dbraw/zinc/83/44/79/888834479.db2.gz CBEFPYRNMNZXHO-WDEREUQCSA-N 1 2 299.331 -2.203 20 0 CAADLO O=C(NC[C@H](CO)[NH2+]Cc1nnnn1C1CC1)C(F)F ZINC001394566406 888836454 /nfs/dbraw/zinc/83/64/54/888836454.db2.gz SWXPNOQIJHWCHM-ZCFIWIBFSA-N 1 2 290.274 -1.160 20 0 CAADLO Cn1ncc(C[NH2+][C@H](CO)CNC(=O)C[C@H]2CCCO2)n1 ZINC001394572468 888838685 /nfs/dbraw/zinc/83/86/85/888838685.db2.gz LWMHRYGKSLYCTB-NWDGAFQWSA-N 1 2 297.359 -1.049 20 0 CAADLO Cn1cc(C(=O)NC[C@H](CO)[NH2+]Cc2nncn2C)cn1 ZINC001394574727 888840099 /nfs/dbraw/zinc/84/00/99/888840099.db2.gz JQQDHKWQSIGXRG-SNVBAGLBSA-N 1 2 293.331 -1.571 20 0 CAADLO CCn1ncnc1C[NH2+][C@@H](CO)CNC(=O)[C@@H](C)OC ZINC001394574209 888840317 /nfs/dbraw/zinc/84/03/17/888840317.db2.gz IJAPMXNKNIDWNY-NXEZZACHSA-N 1 2 285.348 -1.100 20 0 CAADLO Cn1cc(C[NH2+][C@@H](CO)CNC(=O)Cn2cccn2)nn1 ZINC001394574621 888840655 /nfs/dbraw/zinc/84/06/55/888840655.db2.gz WWVISDJQBZYEOA-LLVKDONJSA-N 1 2 293.331 -1.722 20 0 CAADLO CCn1ncc(C[NH2+][C@H](CO)CNC(=O)[C@H]2CCOC2)n1 ZINC001394578196 888842925 /nfs/dbraw/zinc/84/29/25/888842925.db2.gz RNZLPDVERNFFRT-JQWIXIFHSA-N 1 2 297.359 -1.099 20 0 CAADLO CO[C@@H](C)CC(=O)NC[C@H](CO)[NH2+]Cc1ncnn1C ZINC001394579187 888843686 /nfs/dbraw/zinc/84/36/86/888843686.db2.gz VEZGNUXWGZXYGT-VHSXEESVSA-N 1 2 285.348 -1.193 20 0 CAADLO O=C(CCc1nc[nH]n1)NC[C@H](CO)[NH2+][C@H]1CCNC1=O ZINC001394578133 888843877 /nfs/dbraw/zinc/84/38/77/888843877.db2.gz JXLMFNKYISWJQI-BDAKNGLRSA-N 1 2 296.331 -2.308 20 0 CAADLO CO[C@H](C)CC(=O)NC[C@H](CO)[NH2+]Cc1ncnn1C ZINC001394579178 888844519 /nfs/dbraw/zinc/84/45/19/888844519.db2.gz VEZGNUXWGZXYGT-NXEZZACHSA-N 1 2 285.348 -1.193 20 0 CAADLO O=C(CNC(=O)C1CC1)NC[C@@H](CO)[NH2+]Cc1ccon1 ZINC001394577598 888844595 /nfs/dbraw/zinc/84/45/95/888844595.db2.gz YIHZSOYDEDJZGM-NSHDSACASA-N 1 2 296.327 -1.233 20 0 CAADLO Cn1cc(C(=O)NC[C@H](CO)[NH2+]Cc2ncnn2C)nn1 ZINC001394576549 888844772 /nfs/dbraw/zinc/84/47/72/888844772.db2.gz ASPPDYSTDPNERA-MRVPVSSYSA-N 1 2 294.319 -2.176 20 0 CAADLO O=C(CCc1nc[nH]n1)NC[C@@H](CO)[NH2+][C@H]1CCNC1=O ZINC001394578227 888845405 /nfs/dbraw/zinc/84/54/05/888845405.db2.gz JXLMFNKYISWJQI-IUCAKERBSA-N 1 2 296.331 -2.308 20 0 CAADLO CO[C@H](C)CC(=O)NC[C@@H](CO)[NH2+]Cc1cnn(C)n1 ZINC001394580214 888846987 /nfs/dbraw/zinc/84/69/87/888846987.db2.gz WKSGLASMGAFYPT-KOLCDFICSA-N 1 2 285.348 -1.193 20 0 CAADLO CO[C@@H](C)CC(=O)NC[C@@H](CO)[NH2+]Cc1cnn(C)n1 ZINC001394580218 888847081 /nfs/dbraw/zinc/84/70/81/888847081.db2.gz WKSGLASMGAFYPT-ONGXEEELSA-N 1 2 285.348 -1.193 20 0 CAADLO CNC(=O)C[NH2+][C@@H](CO)CNC(=O)CCc1nc[nH]n1 ZINC001394580810 888847104 /nfs/dbraw/zinc/84/71/04/888847104.db2.gz PPDFVHQKZWDSBW-MRVPVSSYSA-N 1 2 284.320 -2.450 20 0 CAADLO Cn1[nH]c(C[NH2+][C@H](CO)CNC(=O)[C@@H]2CCCO2)nc1=O ZINC001394580796 888847170 /nfs/dbraw/zinc/84/71/70/888847170.db2.gz ZWLAJNYKOWPJSD-IUCAKERBSA-N 1 2 299.331 -2.146 20 0 CAADLO CO[C@@H](C)CC(=O)NC[C@H](CO)[NH2+]Cc1cnn(C)n1 ZINC001394580211 888847186 /nfs/dbraw/zinc/84/71/86/888847186.db2.gz WKSGLASMGAFYPT-GXSJLCMTSA-N 1 2 285.348 -1.193 20 0 CAADLO CO[C@H](C)CC(=O)NC[C@H](CO)[NH2+]Cc1cnn(C)n1 ZINC001394580216 888847944 /nfs/dbraw/zinc/84/79/44/888847944.db2.gz WKSGLASMGAFYPT-MWLCHTKSSA-N 1 2 285.348 -1.193 20 0 CAADLO CNC(=O)C[NH2+][C@H](CO)CNC(=O)CCc1nc[nH]n1 ZINC001394580812 888848053 /nfs/dbraw/zinc/84/80/53/888848053.db2.gz PPDFVHQKZWDSBW-QMMMGPOBSA-N 1 2 284.320 -2.450 20 0 CAADLO CO[C@H](C)CC(=O)NC[C@@H](CO)[NH2+]Cc1ncnn1C ZINC001394579190 888848908 /nfs/dbraw/zinc/84/89/08/888848908.db2.gz VEZGNUXWGZXYGT-ZJUUUORDSA-N 1 2 285.348 -1.193 20 0 CAADLO COC[C@@H](C)C(=O)NC[C@@H](CO)[NH2+]Cc1ncnn1C ZINC001394585186 888849944 /nfs/dbraw/zinc/84/99/44/888849944.db2.gz XYOOYMJBGYVIPK-ZJUUUORDSA-N 1 2 285.348 -1.336 20 0 CAADLO Cn1[nH]c(C[NH2+][C@H](CO)CNC(=O)[C@H]2CCCO2)nc1=O ZINC001394580794 888850033 /nfs/dbraw/zinc/85/00/33/888850033.db2.gz ZWLAJNYKOWPJSD-DTWKUNHWSA-N 1 2 299.331 -2.146 20 0 CAADLO Cn1ccc(C(=O)NC[C@@H](CO)[NH2+]Cc2nnnn2C)c1 ZINC001394588104 888852955 /nfs/dbraw/zinc/85/29/55/888852955.db2.gz SVWLGBIMJZGAOC-JTQLQIEISA-N 1 2 293.331 -1.571 20 0 CAADLO Cn1nnnc1C[NH2+][C@@H](CO)CNC(=O)[C@]12C[C@H]1CCC2 ZINC001394620393 888862130 /nfs/dbraw/zinc/86/21/30/888862130.db2.gz XMLCSVIMZOBUHK-GIPNMCIBSA-N 1 2 294.359 -1.033 20 0 CAADLO Cc1coc(C(=O)NC[C@@H](CO)[NH2+]Cc2nnnn2C)c1 ZINC001394613494 888862274 /nfs/dbraw/zinc/86/22/74/888862274.db2.gz KGWKOKDNVSSAJC-VIFPVBQESA-N 1 2 294.315 -1.008 20 0 CAADLO Cc1coc(C(=O)NC[C@H](CO)[NH2+]Cc2nnnn2C)c1 ZINC001394613486 888862434 /nfs/dbraw/zinc/86/24/34/888862434.db2.gz KGWKOKDNVSSAJC-SECBINFHSA-N 1 2 294.315 -1.008 20 0 CAADLO Cn1nnnc1C[NH2+][C@H](CO)CNC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001394626024 888865262 /nfs/dbraw/zinc/86/52/62/888865262.db2.gz STYWCYKGODZUNE-WYOJIJJFSA-N 1 2 296.331 -2.331 20 0 CAADLO CC[C@@H](F)C(=O)NC[C@H](CO)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001394620837 888865400 /nfs/dbraw/zinc/86/54/00/888865400.db2.gz VANRCIOHHJVDPY-HTQZYQBOSA-N 1 2 289.311 -1.577 20 0 CAADLO CC[C@H](F)C(=O)NC[C@@H](CO)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001394620847 888865578 /nfs/dbraw/zinc/86/55/78/888865578.db2.gz VANRCIOHHJVDPY-YUMQZZPRSA-N 1 2 289.311 -1.577 20 0 CAADLO NC(=O)[C@@H]1C[C@@H]1C(=O)NC[C@@H](CO)[NH2+]Cc1cscn1 ZINC001394636662 888865522 /nfs/dbraw/zinc/86/55/22/888865522.db2.gz NUNNHHXPVHDAGQ-SFGNSQDASA-N 1 2 298.368 -1.169 20 0 CAADLO Cn1cnnc1C[NH2+][C@H](CO)CNC(=O)c1ccnnc1 ZINC001394629737 888865642 /nfs/dbraw/zinc/86/56/42/888865642.db2.gz IFJKWWFJNLAUHU-JTQLQIEISA-N 1 2 291.315 -1.514 20 0 CAADLO Cn1cnnc1C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CNC(=O)N1 ZINC001394625790 888866409 /nfs/dbraw/zinc/86/64/09/888866409.db2.gz ZTZHBCSKIFSIOJ-SFYZADRCSA-N 1 2 297.319 -2.937 20 0 CAADLO Cn1nnc(C(=O)NC[C@H](CO)[NH2+]Cc2nccs2)n1 ZINC001394628373 888866441 /nfs/dbraw/zinc/86/64/41/888866441.db2.gz XRJCJJCHXANTQH-SSDOTTSWSA-N 1 2 297.344 -1.453 20 0 CAADLO CN1CC[C@@H]([NH2+][C@@H](CO)CNC(=O)Cc2nnc[nH]2)C1=O ZINC001394642652 888868438 /nfs/dbraw/zinc/86/84/38/888868438.db2.gz HALRKONDEQLWSU-RKDXNWHRSA-N 1 2 296.331 -2.355 20 0 CAADLO Cn1cc(C[NH2+][C@@H](CO)CNC(=O)Cn2cncn2)nn1 ZINC001394645548 888868502 /nfs/dbraw/zinc/86/85/02/888868502.db2.gz BKRKXPMIMXLFKH-SNVBAGLBSA-N 1 2 294.319 -2.327 20 0 CAADLO Cn1nnnc1C[NH2+][C@H](CO)CNC(=O)[C@@]1(C)CCOC1 ZINC001394640540 888871377 /nfs/dbraw/zinc/87/13/77/888871377.db2.gz DDUUFOGYJUGTTB-CABZTGNLSA-N 1 2 298.347 -1.797 20 0 CAADLO Cn1ccnc1C[NH2+][C@@H](CO)CNC(=O)Cc1ncc[nH]1 ZINC001394642339 888871443 /nfs/dbraw/zinc/87/14/43/888871443.db2.gz HYONRNHYWJQNJZ-SNVBAGLBSA-N 1 2 292.343 -1.047 20 0 CAADLO Cn1nnnc1C[NH2+][C@@H](CO)CNC(=O)[C@@]1(C)CCOC1 ZINC001394640544 888871747 /nfs/dbraw/zinc/87/17/47/888871747.db2.gz DDUUFOGYJUGTTB-SKDRFNHKSA-N 1 2 298.347 -1.797 20 0 CAADLO Cc1nccnc1C[NH2+][C@@H](CO)CNC(=O)c1nnc[nH]1 ZINC001394653126 888872414 /nfs/dbraw/zinc/87/24/14/888872414.db2.gz QRUSGAURAJLCOY-SECBINFHSA-N 1 2 291.315 -1.216 20 0 CAADLO Cc1nccnc1C[NH2+][C@H](CO)CNC(=O)c1nnc[nH]1 ZINC001394653129 888872875 /nfs/dbraw/zinc/87/28/75/888872875.db2.gz QRUSGAURAJLCOY-VIFPVBQESA-N 1 2 291.315 -1.216 20 0 CAADLO Cn1ncc(C[NH2+][C@@H](CO)CNC(=O)c2ncccn2)n1 ZINC001394654374 888873077 /nfs/dbraw/zinc/87/30/77/888873077.db2.gz XEEVTTLAAYHSJL-SNVBAGLBSA-N 1 2 291.315 -1.514 20 0 CAADLO Cc1nc[nH]c1C(=O)NC[C@@H](CO)[NH2+]Cc1cnn(C)n1 ZINC001394657125 888873760 /nfs/dbraw/zinc/87/37/60/888873760.db2.gz DJCBVPUJIDYYGH-JTQLQIEISA-N 1 2 293.331 -1.273 20 0 CAADLO Cc1nnc(C[NH2+][C@H](CO)CNC(=O)c2ccncn2)[nH]1 ZINC001394650643 888874118 /nfs/dbraw/zinc/87/41/18/888874118.db2.gz LMMPADYOOBRZRP-VIFPVBQESA-N 1 2 291.315 -1.216 20 0 CAADLO Cn1cc(CN[C@H](CO)CNC(=O)Cn2cc[nH+]c2)nn1 ZINC001394659812 888878810 /nfs/dbraw/zinc/87/88/10/888878810.db2.gz SYIQQZQUKCYIGU-NSHDSACASA-N 1 2 293.331 -1.722 20 0 CAADLO Cc1c[nH]cc1C(=O)NC[C@@H](CO)[NH2+]Cc1nnnn1C ZINC001394658811 888879900 /nfs/dbraw/zinc/87/99/00/888879900.db2.gz ZIAOSHOLCDFDNR-VIFPVBQESA-N 1 2 293.331 -1.273 20 0 CAADLO Cc1nc[nH]c1C(=O)NC[C@@H](CO)[NH2+]Cc1ncnn1C ZINC001394661192 888880100 /nfs/dbraw/zinc/88/01/00/888880100.db2.gz ZJGLXDDLUAPFTL-VIFPVBQESA-N 1 2 293.331 -1.273 20 0 CAADLO CNC(=O)Cc1noc(C[NH2+]C[C@H](O)CN(C)C(C)=O)n1 ZINC001394726245 888882931 /nfs/dbraw/zinc/88/29/31/888882931.db2.gz PBXMPGPWJUMTKS-VIFPVBQESA-N 1 2 299.331 -1.713 20 0 CAADLO Cc1noc(C[NH2+]C[C@@H](O)CN(C)C(=O)c2cn[nH]n2)n1 ZINC001394739811 888886162 /nfs/dbraw/zinc/88/61/62/888886162.db2.gz GDLPTQNRZXJCMC-MRVPVSSYSA-N 1 2 295.303 -1.281 20 0 CAADLO COCC[N@H+](CCNC(=O)c1cnn(C)c1)[C@H](C)C(N)=O ZINC001394833560 888895904 /nfs/dbraw/zinc/89/59/04/888895904.db2.gz SBOOTBJADBRWPS-SNVBAGLBSA-N 1 2 297.359 -1.028 20 0 CAADLO COCC[N@@H+](CCNC(=O)c1cnn(C)c1)[C@H](C)C(N)=O ZINC001394833560 888895923 /nfs/dbraw/zinc/89/59/23/888895923.db2.gz SBOOTBJADBRWPS-SNVBAGLBSA-N 1 2 297.359 -1.028 20 0 CAADLO COCC[N@H+](CCNC(=O)c1cnc(C)n1C)CC(N)=O ZINC001394837594 888900427 /nfs/dbraw/zinc/90/04/27/888900427.db2.gz OVIHYZGFVXDKDT-UHFFFAOYSA-N 1 2 297.359 -1.108 20 0 CAADLO COCC[N@@H+](CCNC(=O)c1cnc(C)n1C)CC(N)=O ZINC001394837594 888900440 /nfs/dbraw/zinc/90/04/40/888900440.db2.gz OVIHYZGFVXDKDT-UHFFFAOYSA-N 1 2 297.359 -1.108 20 0 CAADLO COCC[N@H+](CCNC(=O)[C@]1(F)CCOC1)CC(N)=O ZINC001394838648 888903873 /nfs/dbraw/zinc/90/38/73/888903873.db2.gz VNPFNGAVWKLUMK-LBPRGKRZSA-N 1 2 291.323 -1.335 20 0 CAADLO COCC[N@@H+](CCNC(=O)[C@]1(F)CCOC1)CC(N)=O ZINC001394838648 888903882 /nfs/dbraw/zinc/90/38/82/888903882.db2.gz VNPFNGAVWKLUMK-LBPRGKRZSA-N 1 2 291.323 -1.335 20 0 CAADLO CCC(=O)N1CC(CCO)(NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001395192786 888906078 /nfs/dbraw/zinc/90/60/78/888906078.db2.gz ADAMSKVLOKBCET-LLVKDONJSA-N 1 2 299.371 -1.193 20 0 CAADLO CCC(=O)N1CC(CCO)(NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001395192786 888906082 /nfs/dbraw/zinc/90/60/82/888906082.db2.gz ADAMSKVLOKBCET-LLVKDONJSA-N 1 2 299.371 -1.193 20 0 CAADLO COCCC(=O)NC[C@@H](CO)NC(=O)Cc1[nH]cc[nH+]1 ZINC001395676167 888912349 /nfs/dbraw/zinc/91/23/49/888912349.db2.gz CHFNHSMGBKNSHF-VIFPVBQESA-N 1 2 284.316 -1.418 20 0 CAADLO CCOCC(=O)NC[C@H](CO)NC(=O)Cc1[nH]c[nH+]c1C ZINC001395679663 888912957 /nfs/dbraw/zinc/91/29/57/888912957.db2.gz HJMMMPVRMKKUGN-SNVBAGLBSA-N 1 2 298.343 -1.110 20 0 CAADLO CC(C)OCC(=O)NC[C@H](CO)NC(=O)Cc1c[nH]c[nH+]1 ZINC001395694002 888920012 /nfs/dbraw/zinc/92/00/12/888920012.db2.gz AXSZBYPSYADFQU-LLVKDONJSA-N 1 2 298.343 -1.030 20 0 CAADLO COCC(=O)N[C@@H](CO)CNC(=O)Cn1cc[nH+]c1 ZINC001395751856 888927640 /nfs/dbraw/zinc/92/76/40/888927640.db2.gz ATBWUXATSMCZDK-SECBINFHSA-N 1 2 270.289 -1.877 20 0 CAADLO COC[C@@H](C)C(=O)N[C@H](CO)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001395791853 888930120 /nfs/dbraw/zinc/93/01/20/888930120.db2.gz PEQJDUBLPLUBKP-ZJUUUORDSA-N 1 2 298.343 -1.172 20 0 CAADLO CO[C@@H](C)C(=O)N[C@@H](CO)CNC(=O)Cc1[nH]c[nH+]c1C ZINC001395777495 888932065 /nfs/dbraw/zinc/93/20/65/888932065.db2.gz LMKBKMXMKFMXCA-VHSXEESVSA-N 1 2 298.343 -1.111 20 0 CAADLO O=C(Cc1c[nH]c[nH+]1)NC[C@H](CO)NC(=O)c1cocn1 ZINC001395833509 888933919 /nfs/dbraw/zinc/93/39/19/888933919.db2.gz XLUATIKQGMXKQC-SECBINFHSA-N 1 2 293.283 -1.153 20 0 CAADLO COCCC(=O)N[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1O ZINC001396372864 888943767 /nfs/dbraw/zinc/94/37/67/888943767.db2.gz QGTVDMVINLTWNW-NXEZZACHSA-N 1 2 296.327 -1.323 20 0 CAADLO CO[C@H](C)C(=O)N[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1O ZINC001396372448 888944874 /nfs/dbraw/zinc/94/48/74/888944874.db2.gz UMGQEGYZJUKCRP-FBIMIBRVSA-N 1 2 296.327 -1.325 20 0 CAADLO COCCC(=O)N[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1O ZINC001396420694 888946816 /nfs/dbraw/zinc/94/68/16/888946816.db2.gz QGTVDMVINLTWNW-ZJUUUORDSA-N 1 2 296.327 -1.323 20 0 CAADLO CC(=O)NCC(=O)N1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001396713723 888951038 /nfs/dbraw/zinc/95/10/38/888951038.db2.gz PBGQZXUUJZMKEF-UHFFFAOYSA-N 1 2 293.327 -1.241 20 0 CAADLO C[C@@H](O)C[N@H+]1C[C@@H](NC(=O)CCS(C)(=O)=O)[C@@H](O)C1 ZINC001396926098 888951999 /nfs/dbraw/zinc/95/19/99/888951999.db2.gz HNNNONZPPHIQLP-BBBLOLIVSA-N 1 2 294.373 -2.037 20 0 CAADLO C[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)CCS(C)(=O)=O)[C@@H](O)C1 ZINC001396926098 888952001 /nfs/dbraw/zinc/95/20/01/888952001.db2.gz HNNNONZPPHIQLP-BBBLOLIVSA-N 1 2 294.373 -2.037 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+]1CC[C@H]1CN(C)C(=O)Cn1cncn1 ZINC001397042604 888954961 /nfs/dbraw/zinc/95/49/61/888954961.db2.gz XHPIMSJCJFOFJJ-QWRGUYRKSA-N 1 2 294.359 -1.055 20 0 CAADLO CNC(=O)[C@H](C)[N@H+]1CC[C@H]1CN(C)C(=O)Cn1cncn1 ZINC001397042604 888954978 /nfs/dbraw/zinc/95/49/78/888954978.db2.gz XHPIMSJCJFOFJJ-QWRGUYRKSA-N 1 2 294.359 -1.055 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+]1CC[C@@H]1CN(C)C(=O)Cn1cncn1 ZINC001397042607 888955252 /nfs/dbraw/zinc/95/52/52/888955252.db2.gz XHPIMSJCJFOFJJ-WDEREUQCSA-N 1 2 294.359 -1.055 20 0 CAADLO CNC(=O)[C@H](C)[N@H+]1CC[C@@H]1CN(C)C(=O)Cn1cncn1 ZINC001397042607 888955261 /nfs/dbraw/zinc/95/52/61/888955261.db2.gz XHPIMSJCJFOFJJ-WDEREUQCSA-N 1 2 294.359 -1.055 20 0 CAADLO CC(=O)NCC(=O)NC[C@H]1C[C@H]([NH2+]Cc2nnn(C)n2)C1 ZINC001397099786 888955696 /nfs/dbraw/zinc/95/56/96/888955696.db2.gz MOXGHENDPTXIOY-MGCOHNPYSA-N 1 2 295.347 -1.669 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+]1CC[C@@H]1CN(C)C(=O)Cn1cncn1 ZINC001397042581 888956190 /nfs/dbraw/zinc/95/61/90/888956190.db2.gz XHPIMSJCJFOFJJ-GHMZBOCLSA-N 1 2 294.359 -1.055 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+]1CC[C@@H]1CN(C)C(=O)Cn1cncn1 ZINC001397042581 888956201 /nfs/dbraw/zinc/95/62/01/888956201.db2.gz XHPIMSJCJFOFJJ-GHMZBOCLSA-N 1 2 294.359 -1.055 20 0 CAADLO COC[C@H](O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)Cc1ncn[nH]1 ZINC001397033936 888957527 /nfs/dbraw/zinc/95/75/27/888957527.db2.gz ATWJJLIKIOJKII-GHMZBOCLSA-N 1 2 297.359 -1.113 20 0 CAADLO COC[C@H](O)C[N@H+]1CC[C@@H]1CN(C)C(=O)Cc1ncn[nH]1 ZINC001397033936 888957531 /nfs/dbraw/zinc/95/75/31/888957531.db2.gz ATWJJLIKIOJKII-GHMZBOCLSA-N 1 2 297.359 -1.113 20 0 CAADLO C[C@@H](CNC(=O)[C@H]1COC(=O)N1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001397424934 888966227 /nfs/dbraw/zinc/96/62/27/888966227.db2.gz WZOHMZVYEKMALK-IONNQARKSA-N 1 2 295.299 -1.319 20 0 CAADLO C[C@H](CNC(=O)c1cnn(C)n1)NC(=O)Cn1cc[nH+]c1 ZINC001397507884 888969508 /nfs/dbraw/zinc/96/95/08/888969508.db2.gz UHELTWMJJIUMAL-SECBINFHSA-N 1 2 291.315 -1.054 20 0 CAADLO C[C@H](CNC(=O)Cn1cc[nH+]c1)NC(=O)c1cn[nH]n1 ZINC001397489447 888969738 /nfs/dbraw/zinc/96/97/38/888969738.db2.gz NOISCCNCCMPMLL-MRVPVSSYSA-N 1 2 277.288 -1.064 20 0 CAADLO C[C@@H](CNC(=O)c1cnn(C)n1)NC(=O)Cn1cc[nH+]c1 ZINC001397507891 888969905 /nfs/dbraw/zinc/96/99/05/888969905.db2.gz UHELTWMJJIUMAL-VIFPVBQESA-N 1 2 291.315 -1.054 20 0 CAADLO C[C@@H](CNC(=O)Cn1cc[nH+]c1)NC(=O)Cc1nc[nH]n1 ZINC001397489116 888970023 /nfs/dbraw/zinc/97/00/23/888970023.db2.gz NRLMMHYNCLXCAO-VIFPVBQESA-N 1 2 291.315 -1.135 20 0 CAADLO C[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)NC(=O)[C@@H]1CNC(=O)N1 ZINC001397618376 888972197 /nfs/dbraw/zinc/97/21/97/888972197.db2.gz FAMDNHNGEYOBDI-CBAPKCEASA-N 1 2 294.315 -1.746 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)Cc1nnc[nH]1 ZINC001397553855 888973035 /nfs/dbraw/zinc/97/30/35/888973035.db2.gz NXQPMSNREOWQBQ-VIFPVBQESA-N 1 2 280.332 -1.374 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)Cc1nnc[nH]1 ZINC001397553855 888973022 /nfs/dbraw/zinc/97/30/22/888973022.db2.gz NXQPMSNREOWQBQ-VIFPVBQESA-N 1 2 280.332 -1.374 20 0 CAADLO C[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)NC(=O)[C@H]1CNC(=O)N1 ZINC001397618386 888973884 /nfs/dbraw/zinc/97/38/84/888973884.db2.gz FAMDNHNGEYOBDI-IONNQARKSA-N 1 2 294.315 -1.746 20 0 CAADLO C[C@H](O)C[N@@H+]1CC[C@H](NC(=O)CS(C)(=O)=O)[C@H]1C ZINC001397780818 888977748 /nfs/dbraw/zinc/97/77/48/888977748.db2.gz QRDVTNMVVQRWKC-AEJSXWLSSA-N 1 2 278.374 -1.009 20 0 CAADLO C[C@H](O)C[N@H+]1CC[C@H](NC(=O)CS(C)(=O)=O)[C@H]1C ZINC001397780818 888977756 /nfs/dbraw/zinc/97/77/56/888977756.db2.gz QRDVTNMVVQRWKC-AEJSXWLSSA-N 1 2 278.374 -1.009 20 0 CAADLO C[C@H](NC(N)=O)C(=O)NCCN(C)C(=O)Cn1cc[nH+]c1 ZINC001397900338 888980393 /nfs/dbraw/zinc/98/03/93/888980393.db2.gz FKCBLBALODSWEQ-VIFPVBQESA-N 1 2 296.331 -1.486 20 0 CAADLO CN(CCNC(=O)Cc1[nH]cc[nH+]1)C(=O)[C@H]1COC(=O)N1 ZINC001398024125 888985685 /nfs/dbraw/zinc/98/56/85/888985685.db2.gz VGTYKJPMPSXAOK-MRVPVSSYSA-N 1 2 295.299 -1.365 20 0 CAADLO CN(CCNC(=O)Cc1[nH]cc[nH+]1)C(=O)Cn1nccn1 ZINC001398024082 888985709 /nfs/dbraw/zinc/98/57/09/888985709.db2.gz UZNFSOAOQJVGLO-UHFFFAOYSA-N 1 2 291.315 -1.182 20 0 CAADLO COC(=O)NCC(=O)N(C)CCNC(=O)Cc1c[nH]c[nH+]1 ZINC001398049599 888986435 /nfs/dbraw/zinc/98/64/35/888986435.db2.gz DFSWVUKGZHLDAR-UHFFFAOYSA-N 1 2 297.315 -1.117 20 0 CAADLO CN(CCNC(=O)[C@@H]1CNC(=O)N1)C(=O)Cc1c[nH+]c[nH]1 ZINC001398014370 888986855 /nfs/dbraw/zinc/98/68/55/888986855.db2.gz PKLJQCIYAPFSKN-VIFPVBQESA-N 1 2 294.315 -1.792 20 0 CAADLO CNC(=O)C[N@@H+]1CCC[C@H](NC(=O)CCn2cnnn2)C1 ZINC001398232141 888987787 /nfs/dbraw/zinc/98/77/87/888987787.db2.gz JTCYAHYGWSWSEK-JTQLQIEISA-N 1 2 295.347 -1.610 20 0 CAADLO CNC(=O)C[N@H+]1CCC[C@H](NC(=O)CCn2cnnn2)C1 ZINC001398232141 888987802 /nfs/dbraw/zinc/98/78/02/888987802.db2.gz JTCYAHYGWSWSEK-JTQLQIEISA-N 1 2 295.347 -1.610 20 0 CAADLO C[C@@H](C(N)=O)[NH+]1CCN(CCNC(=O)[C@@H]2CCCO2)CC1 ZINC001398253673 888988927 /nfs/dbraw/zinc/98/89/27/888988927.db2.gz FCAPBSOJWGFSSA-RYUDHWBXSA-N 1 2 298.387 -1.227 20 0 CAADLO CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC(=O)N2)C1 ZINC001398282331 888989085 /nfs/dbraw/zinc/98/90/85/888989085.db2.gz AQHFYHNXIQVHHP-VHSXEESVSA-N 1 2 282.344 -1.408 20 0 CAADLO CCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCC(=O)N2)C1 ZINC001398282331 888989099 /nfs/dbraw/zinc/98/90/99/888989099.db2.gz AQHFYHNXIQVHHP-VHSXEESVSA-N 1 2 282.344 -1.408 20 0 CAADLO CN(CC(=O)N[C@@H]1CC[N@H+](CC(N)=O)C1)C(=O)C1CC1 ZINC001398287106 888989322 /nfs/dbraw/zinc/98/93/22/888989322.db2.gz HHMQPVTYGJGTDF-SNVBAGLBSA-N 1 2 282.344 -1.469 20 0 CAADLO CN(CC(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C1)C(=O)C1CC1 ZINC001398287106 888989330 /nfs/dbraw/zinc/98/93/30/888989330.db2.gz HHMQPVTYGJGTDF-SNVBAGLBSA-N 1 2 282.344 -1.469 20 0 CAADLO CC(=O)N(C)CC(=O)N[C@H]1CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001398283943 888989540 /nfs/dbraw/zinc/98/95/40/888989540.db2.gz FWJDPTJRBISWJQ-VIFPVBQESA-N 1 2 299.331 -2.150 20 0 CAADLO CC(=O)N(C)CC(=O)N[C@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001398283943 888989549 /nfs/dbraw/zinc/98/95/49/888989549.db2.gz FWJDPTJRBISWJQ-VIFPVBQESA-N 1 2 299.331 -2.150 20 0 CAADLO CC(C)NC(=O)C[N@@H+]1CC[C@H](NC(=O)Cn2ncnn2)C1 ZINC001398304607 888990267 /nfs/dbraw/zinc/99/02/67/888990267.db2.gz SVGQZXKZIVWJNE-JTQLQIEISA-N 1 2 295.347 -1.612 20 0 CAADLO CC(C)NC(=O)C[N@H+]1CC[C@H](NC(=O)Cn2ncnn2)C1 ZINC001398304607 888990277 /nfs/dbraw/zinc/99/02/77/888990277.db2.gz SVGQZXKZIVWJNE-JTQLQIEISA-N 1 2 295.347 -1.612 20 0 CAADLO COCC(=O)N[C@@H]1CC[N@H+](CC(=O)NC(=O)NC2CC2)C1 ZINC001398266301 888990446 /nfs/dbraw/zinc/99/04/46/888990446.db2.gz DFLZLTCVJZZUNU-SNVBAGLBSA-N 1 2 298.343 -1.189 20 0 CAADLO COCC(=O)N[C@@H]1CC[N@@H+](CC(=O)NC(=O)NC2CC2)C1 ZINC001398266301 888990451 /nfs/dbraw/zinc/99/04/51/888990451.db2.gz DFLZLTCVJZZUNU-SNVBAGLBSA-N 1 2 298.343 -1.189 20 0 CAADLO CNC(=O)C[N@@H+]1CCC[C@H](NC(=O)[C@@H](C)CC(N)=O)C1 ZINC001398221914 888990801 /nfs/dbraw/zinc/99/08/01/888990801.db2.gz AXDDLQABPJCAFH-UWVGGRQHSA-N 1 2 284.360 -1.176 20 0 CAADLO CNC(=O)C[N@H+]1CCC[C@H](NC(=O)[C@@H](C)CC(N)=O)C1 ZINC001398221914 888990818 /nfs/dbraw/zinc/99/08/18/888990818.db2.gz AXDDLQABPJCAFH-UWVGGRQHSA-N 1 2 284.360 -1.176 20 0 CAADLO CNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)[C@H](C)CC(N)=O)C1 ZINC001398221908 888991099 /nfs/dbraw/zinc/99/10/99/888991099.db2.gz AXDDLQABPJCAFH-NXEZZACHSA-N 1 2 284.360 -1.176 20 0 CAADLO CNC(=O)C[N@H+]1CCC[C@@H](NC(=O)[C@H](C)CC(N)=O)C1 ZINC001398221908 888991116 /nfs/dbraw/zinc/99/11/16/888991116.db2.gz AXDDLQABPJCAFH-NXEZZACHSA-N 1 2 284.360 -1.176 20 0 CAADLO NC(=O)NC(=O)C[N@@H+]1CC[C@H](NC(=O)c2ccnnc2)C1 ZINC001398314226 888994792 /nfs/dbraw/zinc/99/47/92/888994792.db2.gz VJRGIEWGNDTEJU-VIFPVBQESA-N 1 2 292.299 -1.524 20 0 CAADLO NC(=O)NC(=O)C[N@H+]1CC[C@H](NC(=O)c2ccnnc2)C1 ZINC001398314226 888994802 /nfs/dbraw/zinc/99/48/02/888994802.db2.gz VJRGIEWGNDTEJU-VIFPVBQESA-N 1 2 292.299 -1.524 20 0 CAADLO CC(=O)N(C)CC(=O)N[C@H]1C[C@H]([NH2+]Cc2nnn(C)n2)C1 ZINC001398536165 888998165 /nfs/dbraw/zinc/99/81/65/888998165.db2.gz LPHBYVDZHRFQFC-MGCOHNPYSA-N 1 2 295.347 -1.575 20 0 CAADLO CC(=O)N[C@H](C)C(=O)NC[C@H](C)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001398871031 889020755 /nfs/dbraw/zinc/02/07/55/889020755.db2.gz YLGWMUCFHHVKQT-JGVFFNPUSA-N 1 2 298.347 -1.773 20 0 CAADLO C[C@H](CNC(=O)Cn1ncnn1)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001398935628 889022354 /nfs/dbraw/zinc/02/23/54/889022354.db2.gz NTTTYYNOOROPFN-SSDOTTSWSA-N 1 2 295.307 -2.611 20 0 CAADLO CCc1noc(C[NH2+][C@H](C)CNC(=O)Cn2ncnn2)n1 ZINC001398931030 889022967 /nfs/dbraw/zinc/02/29/67/889022967.db2.gz YHBFBADTQGGJOZ-MRVPVSSYSA-N 1 2 294.319 -1.087 20 0 CAADLO C[C@H](CNC(=O)[C@@H]1CN(C)C(=O)N1)[NH2+]Cc1cnon1 ZINC001399041058 889026883 /nfs/dbraw/zinc/02/68/83/889026883.db2.gz WGCMCFPIJZTLCM-APPZFPTMSA-N 1 2 282.304 -1.313 20 0 CAADLO Cc1noc(C[NH2+][C@@H](C)CNC(=O)c2nnn(C)n2)n1 ZINC001399021848 889026965 /nfs/dbraw/zinc/02/69/65/889026965.db2.gz GBOJPFIZUMYKEU-LURJTMIESA-N 1 2 280.292 -1.190 20 0 CAADLO C[C@H](CNC(=O)[C@@H]1CNC(=O)N1)[NH2+]Cc1csnn1 ZINC001399049308 889027694 /nfs/dbraw/zinc/02/76/94/889027694.db2.gz ZJLQRBHMIXTHSV-SVRRBLITSA-N 1 2 284.345 -1.186 20 0 CAADLO C[C@@H](CNC(=O)[C@H]1CN(C)C(=O)N1)[NH2+]Cc1cnon1 ZINC001399041069 889028235 /nfs/dbraw/zinc/02/82/35/889028235.db2.gz WGCMCFPIJZTLCM-IONNQARKSA-N 1 2 282.304 -1.313 20 0 CAADLO C[C@H](CNC(=O)[C@H]1CN(C)C(=O)N1)[NH2+]Cc1cnon1 ZINC001399041073 889028517 /nfs/dbraw/zinc/02/85/17/889028517.db2.gz WGCMCFPIJZTLCM-VXNVDRBHSA-N 1 2 282.304 -1.313 20 0 CAADLO C[C@H](CNC(=O)c1nnc[nH]1)[NH2+][C@H](C)c1nnnn1C ZINC001399080485 889031190 /nfs/dbraw/zinc/03/11/90/889031190.db2.gz FUIANLMQXIVJLJ-RNFRBKRXSA-N 1 2 279.308 -1.203 20 0 CAADLO C[C@@H](CNC(=O)c1nnc[nH]1)[NH2+][C@@H](C)c1nnnn1C ZINC001399080482 889031473 /nfs/dbraw/zinc/03/14/73/889031473.db2.gz FUIANLMQXIVJLJ-BQBZGAKWSA-N 1 2 279.308 -1.203 20 0 CAADLO CC(C)CNC(=O)C[N@H+](C)CCNC(=O)Cn1cnnn1 ZINC001399438863 889044234 /nfs/dbraw/zinc/04/42/34/889044234.db2.gz JBOCYCBBDQRXJR-UHFFFAOYSA-N 1 2 297.363 -1.507 20 0 CAADLO CC(C)CNC(=O)C[N@@H+](C)CCNC(=O)Cn1cnnn1 ZINC001399438863 889044249 /nfs/dbraw/zinc/04/42/49/889044249.db2.gz JBOCYCBBDQRXJR-UHFFFAOYSA-N 1 2 297.363 -1.507 20 0 CAADLO CNC(=O)C[N@H+](C)CCNC(=O)[C@@H]1C[C@@H]1C(=O)OC ZINC001399438720 889044702 /nfs/dbraw/zinc/04/47/02/889044702.db2.gz PLXRRWNYWBERIM-BDAKNGLRSA-N 1 2 271.317 -1.411 20 0 CAADLO CNC(=O)C[N@@H+](C)CCNC(=O)[C@@H]1C[C@@H]1C(=O)OC ZINC001399438720 889044715 /nfs/dbraw/zinc/04/47/15/889044715.db2.gz PLXRRWNYWBERIM-BDAKNGLRSA-N 1 2 271.317 -1.411 20 0 CAADLO COC[C@H](O)C[N@H+](C)CCNC(=O)CS(C)(=O)=O ZINC001399443330 889045134 /nfs/dbraw/zinc/04/51/34/889045134.db2.gz XOBVDTNEENLVEB-SECBINFHSA-N 1 2 282.362 -1.914 20 0 CAADLO COC[C@H](O)C[N@@H+](C)CCNC(=O)CS(C)(=O)=O ZINC001399443330 889045148 /nfs/dbraw/zinc/04/51/48/889045148.db2.gz XOBVDTNEENLVEB-SECBINFHSA-N 1 2 282.362 -1.914 20 0 CAADLO CCNC(=O)C[N@H+](C)CCNC(=O)Cn1ncn(C)c1=O ZINC001399515775 889046176 /nfs/dbraw/zinc/04/61/76/889046176.db2.gz MSCHWDOSSOSXSB-UHFFFAOYSA-N 1 2 298.347 -2.234 20 0 CAADLO CCNC(=O)C[N@@H+](C)CCNC(=O)Cn1ncn(C)c1=O ZINC001399515775 889046189 /nfs/dbraw/zinc/04/61/89/889046189.db2.gz MSCHWDOSSOSXSB-UHFFFAOYSA-N 1 2 298.347 -2.234 20 0 CAADLO CO[C@H]1COCC[C@H]1CC(=O)NCC[N@H+](C)CC(N)=O ZINC001399490295 889046285 /nfs/dbraw/zinc/04/62/85/889046285.db2.gz MKNKHUCAMRWPDG-QWRGUYRKSA-N 1 2 287.360 -1.039 20 0 CAADLO CO[C@H]1COCC[C@H]1CC(=O)NCC[N@@H+](C)CC(N)=O ZINC001399490295 889046297 /nfs/dbraw/zinc/04/62/97/889046297.db2.gz MKNKHUCAMRWPDG-QWRGUYRKSA-N 1 2 287.360 -1.039 20 0 CAADLO C[N@H+](CCNC(=O)c1cnn2ccncc12)CC(N)=O ZINC001399499592 889046563 /nfs/dbraw/zinc/04/65/63/889046563.db2.gz CJWDOVFZCXXZKK-UHFFFAOYSA-N 1 2 276.300 -1.124 20 0 CAADLO C[N@@H+](CCNC(=O)c1cnn2ccncc12)CC(N)=O ZINC001399499592 889046577 /nfs/dbraw/zinc/04/65/77/889046577.db2.gz CJWDOVFZCXXZKK-UHFFFAOYSA-N 1 2 276.300 -1.124 20 0 CAADLO Cn1[nH]c(C[N@H+](C)CCNC(=O)CC(C)(C)O)nc1=O ZINC001399488760 889046934 /nfs/dbraw/zinc/04/69/34/889046934.db2.gz WKJZLBYKEZPPDA-UHFFFAOYSA-N 1 2 285.348 -1.183 20 0 CAADLO Cn1[nH]c(C[N@@H+](C)CCNC(=O)CC(C)(C)O)nc1=O ZINC001399488760 889046941 /nfs/dbraw/zinc/04/69/41/889046941.db2.gz WKJZLBYKEZPPDA-UHFFFAOYSA-N 1 2 285.348 -1.183 20 0 CAADLO C[N@H+](CCNC(=O)[C@H]1CCCC(=O)N1)CC(=O)N1CCC1 ZINC001399505486 889048212 /nfs/dbraw/zinc/04/82/12/889048212.db2.gz HWORFFZEZHCMDO-LLVKDONJSA-N 1 2 296.371 -1.065 20 0 CAADLO C[N@@H+](CCNC(=O)[C@H]1CCCC(=O)N1)CC(=O)N1CCC1 ZINC001399505486 889048227 /nfs/dbraw/zinc/04/82/27/889048227.db2.gz HWORFFZEZHCMDO-LLVKDONJSA-N 1 2 296.371 -1.065 20 0 CAADLO Cc1nn(C)c(=O)c(C(=O)NCC[N@H+](C)CC(N)=O)c1C ZINC001399545097 889048305 /nfs/dbraw/zinc/04/83/05/889048305.db2.gz KWAHUGSNPNOMDD-UHFFFAOYSA-N 1 2 295.343 -1.456 20 0 CAADLO Cc1nn(C)c(=O)c(C(=O)NCC[N@@H+](C)CC(N)=O)c1C ZINC001399545097 889048317 /nfs/dbraw/zinc/04/83/17/889048317.db2.gz KWAHUGSNPNOMDD-UHFFFAOYSA-N 1 2 295.343 -1.456 20 0 CAADLO Cc1nc(CC(=O)NCC[N@@H+](C)[C@H]2CCN(C)C2=O)n[nH]1 ZINC001399493576 889048455 /nfs/dbraw/zinc/04/84/55/889048455.db2.gz XRSDJYCKRCTMKG-JTQLQIEISA-N 1 2 294.359 -1.066 20 0 CAADLO Cc1nc(CC(=O)NCC[N@H+](C)[C@H]2CCN(C)C2=O)n[nH]1 ZINC001399493576 889048462 /nfs/dbraw/zinc/04/84/62/889048462.db2.gz XRSDJYCKRCTMKG-JTQLQIEISA-N 1 2 294.359 -1.066 20 0 CAADLO C[N@H+](CCNC(=O)CN1CCCS1(=O)=O)CC(N)=O ZINC001399478286 889049715 /nfs/dbraw/zinc/04/97/15/889049715.db2.gz DMTLDSJBUOPBHZ-UHFFFAOYSA-N 1 2 292.361 -2.445 20 0 CAADLO CN(C)C(=O)C[N@H+](C)CCNC(=O)[C@H]1CCC(=O)NC1 ZINC001399508427 889050224 /nfs/dbraw/zinc/05/02/24/889050224.db2.gz DFUFLDBLVVZDSA-JTQLQIEISA-N 1 2 284.360 -1.351 20 0 CAADLO CN(C)C(=O)C[N@@H+](C)CCNC(=O)[C@H]1CCC(=O)NC1 ZINC001399508427 889050236 /nfs/dbraw/zinc/05/02/36/889050236.db2.gz DFUFLDBLVVZDSA-JTQLQIEISA-N 1 2 284.360 -1.351 20 0 CAADLO C[N@H+](CCNC(=O)[C@@H]1COC(=O)N1)CC(=O)NCC1CC1 ZINC001399482819 889050946 /nfs/dbraw/zinc/05/09/46/889050946.db2.gz JCBBLZCMQFDDQW-JTQLQIEISA-N 1 2 298.343 -1.331 20 0 CAADLO C[N@@H+](CCNC(=O)[C@@H]1COC(=O)N1)CC(=O)NCC1CC1 ZINC001399482819 889050962 /nfs/dbraw/zinc/05/09/62/889050962.db2.gz JCBBLZCMQFDDQW-JTQLQIEISA-N 1 2 298.343 -1.331 20 0 CAADLO Cn1cncc1C[N@H+](C)CCNC(=O)[C@@H]1CNC(=O)N1 ZINC001399569364 889051626 /nfs/dbraw/zinc/05/16/26/889051626.db2.gz KLYMHJLQLJZBEG-JTQLQIEISA-N 1 2 280.332 -1.351 20 0 CAADLO Cn1cncc1C[N@@H+](C)CCNC(=O)[C@@H]1CNC(=O)N1 ZINC001399569364 889051637 /nfs/dbraw/zinc/05/16/37/889051637.db2.gz KLYMHJLQLJZBEG-JTQLQIEISA-N 1 2 280.332 -1.351 20 0 CAADLO CNC(=O)C[N@H+](C)CCNC(=O)COCc1nncn1C ZINC001399625176 889052378 /nfs/dbraw/zinc/05/23/78/889052378.db2.gz YDVSMUIBHGJJLI-UHFFFAOYSA-N 1 2 298.347 -1.874 20 0 CAADLO CNC(=O)C[N@@H+](C)CCNC(=O)COCc1nncn1C ZINC001399625176 889052391 /nfs/dbraw/zinc/05/23/91/889052391.db2.gz YDVSMUIBHGJJLI-UHFFFAOYSA-N 1 2 298.347 -1.874 20 0 CAADLO CN1C(=O)CC[C@H]1C(=O)NCC[N@H+](C)CC(=O)NC1CC1 ZINC001399565824 889052713 /nfs/dbraw/zinc/05/27/13/889052713.db2.gz CKRDSFOCSNIQTL-NSHDSACASA-N 1 2 296.371 -1.066 20 0 CAADLO CN1C(=O)CC[C@H]1C(=O)NCC[N@@H+](C)CC(=O)NC1CC1 ZINC001399565824 889052725 /nfs/dbraw/zinc/05/27/25/889052725.db2.gz CKRDSFOCSNIQTL-NSHDSACASA-N 1 2 296.371 -1.066 20 0 CAADLO CNC(=O)C[N@H+](C)CCNC(=O)[C@@H]1CC[C@@H]1C(N)=O ZINC001399560216 889054299 /nfs/dbraw/zinc/05/42/99/889054299.db2.gz OMVRCSZDJSKVMO-DTWKUNHWSA-N 1 2 270.333 -1.708 20 0 CAADLO CNC(=O)C[N@@H+](C)CCNC(=O)[C@@H]1CC[C@@H]1C(N)=O ZINC001399560216 889054305 /nfs/dbraw/zinc/05/43/05/889054305.db2.gz OMVRCSZDJSKVMO-DTWKUNHWSA-N 1 2 270.333 -1.708 20 0 CAADLO C[N@H+](CCNC(=O)c1ccc2nncn2c1)CC(N)=O ZINC001399601938 889054386 /nfs/dbraw/zinc/05/43/86/889054386.db2.gz SCWSXVKTPFGCJI-UHFFFAOYSA-N 1 2 276.300 -1.124 20 0 CAADLO C[N@@H+](CCNC(=O)c1ccc2nncn2c1)CC(N)=O ZINC001399601938 889054391 /nfs/dbraw/zinc/05/43/91/889054391.db2.gz SCWSXVKTPFGCJI-UHFFFAOYSA-N 1 2 276.300 -1.124 20 0 CAADLO CNC(=O)C[N@H+](C)CCNC(=O)[C@H]1CC[C@H]1C(N)=O ZINC001399560215 889054452 /nfs/dbraw/zinc/05/44/52/889054452.db2.gz OMVRCSZDJSKVMO-BDAKNGLRSA-N 1 2 270.333 -1.708 20 0 CAADLO CNC(=O)C[N@@H+](C)CCNC(=O)[C@H]1CC[C@H]1C(N)=O ZINC001399560215 889054461 /nfs/dbraw/zinc/05/44/61/889054461.db2.gz OMVRCSZDJSKVMO-BDAKNGLRSA-N 1 2 270.333 -1.708 20 0 CAADLO CC(C)N(C)C(=O)C[N@H+](C)CCNC(=O)[C@@H]1CNC(=O)N1 ZINC001399566579 889054745 /nfs/dbraw/zinc/05/47/45/889054745.db2.gz FKGNMVWFKMUEGF-JTQLQIEISA-N 1 2 299.375 -1.417 20 0 CAADLO CC(C)N(C)C(=O)C[N@@H+](C)CCNC(=O)[C@@H]1CNC(=O)N1 ZINC001399566579 889054755 /nfs/dbraw/zinc/05/47/55/889054755.db2.gz FKGNMVWFKMUEGF-JTQLQIEISA-N 1 2 299.375 -1.417 20 0 CAADLO Cn1[nH]c(C[N@H+](C)CCNC(=O)c2ccncn2)nc1=O ZINC001399601025 889055002 /nfs/dbraw/zinc/05/50/02/889055002.db2.gz HESFSDOZKPUSTP-UHFFFAOYSA-N 1 2 291.315 -1.240 20 0 CAADLO Cn1[nH]c(C[N@@H+](C)CCNC(=O)c2ccncn2)nc1=O ZINC001399601025 889055015 /nfs/dbraw/zinc/05/50/15/889055015.db2.gz HESFSDOZKPUSTP-UHFFFAOYSA-N 1 2 291.315 -1.240 20 0 CAADLO Cn1cncc1C[N@@H+](C)CCNC(=O)c1nnn(C)n1 ZINC001399570673 889056576 /nfs/dbraw/zinc/05/65/76/889056576.db2.gz SCAREECBJFOBHJ-UHFFFAOYSA-N 1 2 278.320 -1.195 20 0 CAADLO Cn1cncc1C[N@H+](C)CCNC(=O)c1nnn(C)n1 ZINC001399570673 889056585 /nfs/dbraw/zinc/05/65/85/889056585.db2.gz SCAREECBJFOBHJ-UHFFFAOYSA-N 1 2 278.320 -1.195 20 0 CAADLO CC[N@H+](CCNC(=O)[C@@H]1CNC(=O)N1)Cc1cnnn1C ZINC001399740316 889058567 /nfs/dbraw/zinc/05/85/67/889058567.db2.gz HGITXUKNZUAMNZ-JTQLQIEISA-N 1 2 295.347 -1.565 20 0 CAADLO CC[N@@H+](CCNC(=O)[C@@H]1CNC(=O)N1)Cc1cnnn1C ZINC001399740316 889058587 /nfs/dbraw/zinc/05/85/87/889058587.db2.gz HGITXUKNZUAMNZ-JTQLQIEISA-N 1 2 295.347 -1.565 20 0 CAADLO CC[N@H+](CCNC(=O)[C@H]1CNC(=O)N1)Cc1cnnn1C ZINC001399740327 889059240 /nfs/dbraw/zinc/05/92/40/889059240.db2.gz HGITXUKNZUAMNZ-SNVBAGLBSA-N 1 2 295.347 -1.565 20 0 CAADLO CC[N@@H+](CCNC(=O)[C@H]1CNC(=O)N1)Cc1cnnn1C ZINC001399740327 889059249 /nfs/dbraw/zinc/05/92/49/889059249.db2.gz HGITXUKNZUAMNZ-SNVBAGLBSA-N 1 2 295.347 -1.565 20 0 CAADLO COCC(=O)NC[C@H](O)CNC(=O)Cn1cc[nH+]c1 ZINC001399758803 889063148 /nfs/dbraw/zinc/06/31/48/889063148.db2.gz JFGVBIWWURMDMR-SECBINFHSA-N 1 2 270.289 -1.877 20 0 CAADLO CO[C@H](C)C(=O)NC[C@H](O)CNC(=O)Cn1cc[nH+]c1 ZINC001399788466 889069139 /nfs/dbraw/zinc/06/91/39/889069139.db2.gz HCYBJGKDRANEGN-NXEZZACHSA-N 1 2 284.316 -1.489 20 0 CAADLO O=C(Cn1cc[nH+]c1)NC[C@H](O)CNC(=O)[C@H]1CCOC1 ZINC001399807199 889068204 /nfs/dbraw/zinc/06/82/04/889068204.db2.gz RPDHAVYJYRWYPD-QWRGUYRKSA-N 1 2 296.327 -1.487 20 0 CAADLO O=C(Cc1[nH]cc[nH+]1)NC[C@@H](O)CNC(=O)c1cocn1 ZINC001399789726 889069016 /nfs/dbraw/zinc/06/90/16/889069016.db2.gz FFLDUQWLGUWOAO-MRVPVSSYSA-N 1 2 293.283 -1.153 20 0 CAADLO CCO[C@@H](C)C(=O)NC[C@H](O)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001399793889 889069053 /nfs/dbraw/zinc/06/90/53/889069053.db2.gz PAMOFEIUWARQFK-VHSXEESVSA-N 1 2 298.343 -1.030 20 0 CAADLO CO[C@@H](C)C(=O)NC[C@H](O)CNC(=O)Cn1cc[nH+]c1 ZINC001399788470 889069717 /nfs/dbraw/zinc/06/97/17/889069717.db2.gz HCYBJGKDRANEGN-VHSXEESVSA-N 1 2 284.316 -1.489 20 0 CAADLO CCO[C@H](C)C(=O)NC[C@@H](O)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001399793890 889069942 /nfs/dbraw/zinc/06/99/42/889069942.db2.gz PAMOFEIUWARQFK-ZJUUUORDSA-N 1 2 298.343 -1.030 20 0 CAADLO CCO[C@H](C)C(=O)NC[C@H](O)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001399793885 889070522 /nfs/dbraw/zinc/07/05/22/889070522.db2.gz PAMOFEIUWARQFK-NXEZZACHSA-N 1 2 298.343 -1.030 20 0 CAADLO O=C(NCC[N@H+](C1CC1)[C@@H]1CCNC1=O)c1cn[nH]n1 ZINC001399997206 889080326 /nfs/dbraw/zinc/08/03/26/889080326.db2.gz HKDPVRYLYLMTOG-SNVBAGLBSA-N 1 2 278.316 -1.113 20 0 CAADLO O=C(NCC[N@@H+](C1CC1)[C@@H]1CCNC1=O)c1cn[nH]n1 ZINC001399997206 889080346 /nfs/dbraw/zinc/08/03/46/889080346.db2.gz HKDPVRYLYLMTOG-SNVBAGLBSA-N 1 2 278.316 -1.113 20 0 CAADLO O=C(NCC[N@H+](C1CC1)[C@@H]1CCNC1=O)c1cnn[nH]1 ZINC001399997206 889080360 /nfs/dbraw/zinc/08/03/60/889080360.db2.gz HKDPVRYLYLMTOG-SNVBAGLBSA-N 1 2 278.316 -1.113 20 0 CAADLO O=C(NCC[N@@H+](C1CC1)[C@@H]1CCNC1=O)c1cnn[nH]1 ZINC001399997206 889080374 /nfs/dbraw/zinc/08/03/74/889080374.db2.gz HKDPVRYLYLMTOG-SNVBAGLBSA-N 1 2 278.316 -1.113 20 0 CAADLO C[C@H](CNC(=O)[C@@H]1COCCO1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001400067559 889092142 /nfs/dbraw/zinc/09/21/42/889092142.db2.gz BITMYWVCWHLUPD-ZJUUUORDSA-N 1 2 296.327 -1.012 20 0 CAADLO C[C@@H](CNC(=O)Cn1cnnn1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001400284995 889096284 /nfs/dbraw/zinc/09/62/84/889096284.db2.gz ZHAPJJAQRPPIAN-QMMMGPOBSA-N 1 2 292.303 -1.740 20 0 CAADLO CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)Cn2cncn2)C1 ZINC001400311282 889098867 /nfs/dbraw/zinc/09/88/67/889098867.db2.gz YYJPJVWASHAASF-NSHDSACASA-N 1 2 294.359 -1.005 20 0 CAADLO CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)Cn2cncn2)C1 ZINC001400311282 889098881 /nfs/dbraw/zinc/09/88/81/889098881.db2.gz YYJPJVWASHAASF-NSHDSACASA-N 1 2 294.359 -1.005 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(NC(=O)c2cnn(C)c2N)C1 ZINC001400324545 889098950 /nfs/dbraw/zinc/09/89/50/889098950.db2.gz ALBRNMCYFVCLEY-VIFPVBQESA-N 1 2 283.332 -1.576 20 0 CAADLO C[C@@H](CNC(=O)[C@H]1CNC(=O)N1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001400310906 889099813 /nfs/dbraw/zinc/09/98/13/889099813.db2.gz YVUHSROHSLDGGF-IONNQARKSA-N 1 2 294.315 -1.746 20 0 CAADLO CNC(=O)NCC(=O)NC1C[NH+](C[C@@H](O)COC)C1 ZINC001400337717 889100051 /nfs/dbraw/zinc/10/00/51/889100051.db2.gz SROGAIHPAIBYMU-SECBINFHSA-N 1 2 274.321 -2.277 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(NC(=O)[C@@H]2CC(=O)N(C)C2)C1 ZINC001400348065 889101564 /nfs/dbraw/zinc/10/15/64/889101564.db2.gz GCNWIYGRLCPKEU-KOLCDFICSA-N 1 2 285.344 -1.728 20 0 CAADLO COC[C@H](O)C[NH+]1CC(NC(=O)[C@@H]2CC(=O)N(C)C2)C1 ZINC001400348068 889102158 /nfs/dbraw/zinc/10/21/58/889102158.db2.gz GCNWIYGRLCPKEU-MWLCHTKSSA-N 1 2 285.344 -1.728 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(NC(=O)CO[C@@H]2CCOC2)C1 ZINC001400342525 889102839 /nfs/dbraw/zinc/10/28/39/889102839.db2.gz AEMTUKVQQXCHIW-NWDGAFQWSA-N 1 2 288.344 -1.400 20 0 CAADLO COC[C@H](O)C[NH+]1CC(NC(=O)c2cccc(=O)n2C)C1 ZINC001400387910 889104487 /nfs/dbraw/zinc/10/44/87/889104487.db2.gz JKGGPMPDHIQMOJ-LLVKDONJSA-N 1 2 295.339 -1.193 20 0 CAADLO CCS(=O)(=O)N(C)CC(=O)NC1C[NH+](CCCO)C1 ZINC001400414525 889104632 /nfs/dbraw/zinc/10/46/32/889104632.db2.gz QBDNNPOXPUGKHT-UHFFFAOYSA-N 1 2 293.389 -1.549 20 0 CAADLO NC(=O)NCCC(=O)NC1C[NH+](CCn2cccn2)C1 ZINC001400430377 889105615 /nfs/dbraw/zinc/10/56/15/889105615.db2.gz GCJLJWVGQPPLQG-UHFFFAOYSA-N 1 2 280.332 -1.258 20 0 CAADLO NC(=O)NC(=O)C[NH+]1CC(CNC(=O)c2ccc[nH]2)C1 ZINC001400473740 889106846 /nfs/dbraw/zinc/10/68/46/889106846.db2.gz BHIXCERNEVBBJL-UHFFFAOYSA-N 1 2 279.300 -1.129 20 0 CAADLO COC(=O)NCC(=O)NCC1C[NH+]([C@@H](C)C(N)=O)C1 ZINC001400461999 889106975 /nfs/dbraw/zinc/10/69/75/889106975.db2.gz KOCGURHPPXFBNI-ZETCQYMHSA-N 1 2 272.305 -1.736 20 0 CAADLO NC(=O)NC(=O)C[NH+]1CC(CNC(=O)Cc2ccon2)C1 ZINC001400461063 889107030 /nfs/dbraw/zinc/10/70/30/889107030.db2.gz BGXPJPIGOVOODY-UHFFFAOYSA-N 1 2 295.299 -1.540 20 0 CAADLO CCC(=O)N[C@@H](C)C(=O)NCC1C[NH+]([C@H]2CCNC2=O)C1 ZINC001400478251 889107142 /nfs/dbraw/zinc/10/71/42/889107142.db2.gz UJSPWGZOKDRWPY-ONGXEEELSA-N 1 2 296.371 -1.162 20 0 CAADLO O=C(CN1CCCC1=O)NCC1C[NH+]([C@H]2CCNC2=O)C1 ZINC001400484275 889107543 /nfs/dbraw/zinc/10/75/43/889107543.db2.gz PPXFECCJTZBRPW-NSHDSACASA-N 1 2 294.355 -1.455 20 0 CAADLO CCO[C@H](C)C(=O)NCC1C[NH+](CC(=O)NC(N)=O)C1 ZINC001400463327 889107574 /nfs/dbraw/zinc/10/75/74/889107574.db2.gz JYYKOPLRYFLYGH-MRVPVSSYSA-N 1 2 286.332 -1.346 20 0 CAADLO CNS(=O)(=O)CCC(=O)NCC1C[NH+](CCF)C1 ZINC001400470833 889107900 /nfs/dbraw/zinc/10/79/00/889107900.db2.gz LLPZAGXPLMFCTP-UHFFFAOYSA-N 1 2 281.353 -1.057 20 0 CAADLO O=C(CNC(=O)c1ccccn1)NC1C[NH+](CCCO)C1 ZINC001400451434 889108930 /nfs/dbraw/zinc/10/89/30/889108930.db2.gz YDSFGWYSVUKSOF-UHFFFAOYSA-N 1 2 292.339 -1.006 20 0 CAADLO NC(=O)NC(=O)C[NH+]1CC(CNC(=O)c2cn[nH]c2)C1 ZINC001400460830 889109054 /nfs/dbraw/zinc/10/90/54/889109054.db2.gz HKDMPFRZASHXBP-UHFFFAOYSA-N 1 2 280.288 -1.734 20 0 CAADLO NC(=O)NC(=O)C[NH+]1CC(CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001400513048 889110094 /nfs/dbraw/zinc/11/00/94/889110094.db2.gz HQPQYEFFXAZDOJ-JZYVYDRUSA-N 1 2 296.327 -1.878 20 0 CAADLO NC(=O)NC(=O)C[NH+]1CC(CNC(=O)c2ccccn2)C1 ZINC001400571032 889110388 /nfs/dbraw/zinc/11/03/88/889110388.db2.gz UEAXAFYFFIOAIQ-UHFFFAOYSA-N 1 2 291.311 -1.062 20 0 CAADLO COC[C@@H](OC)C(=O)NCC1C[NH+]([C@H]2CCNC2=O)C1 ZINC001400525411 889111268 /nfs/dbraw/zinc/11/12/68/889111268.db2.gz GTKSOSOMYRQZSK-WDEREUQCSA-N 1 2 285.344 -1.416 20 0 CAADLO Cn1nnnc1CN1CC(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001400570146 889111416 /nfs/dbraw/zinc/11/14/16/889111416.db2.gz IPGFLSBCLYWMEM-UHFFFAOYSA-N 1 2 290.331 -1.345 20 0 CAADLO CCCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2COC(=O)N2)C1 ZINC001400656006 889113802 /nfs/dbraw/zinc/11/38/02/889113802.db2.gz WSGVDFLHJNWSIY-NXEZZACHSA-N 1 2 298.343 -1.189 20 0 CAADLO CCCNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@H]2COC(=O)N2)C1 ZINC001400656006 889113808 /nfs/dbraw/zinc/11/38/08/889113808.db2.gz WSGVDFLHJNWSIY-NXEZZACHSA-N 1 2 298.343 -1.189 20 0 CAADLO CNC(=O)NCCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@@H](C)C(N)=O ZINC001400584012 889114027 /nfs/dbraw/zinc/11/40/27/889114027.db2.gz XEMSAQXEIHKNAB-GUBZILKMSA-N 1 2 297.359 -1.536 20 0 CAADLO CNC(=O)NCCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2[C@@H](C)C(N)=O ZINC001400584012 889114037 /nfs/dbraw/zinc/11/40/37/889114037.db2.gz XEMSAQXEIHKNAB-GUBZILKMSA-N 1 2 297.359 -1.536 20 0 CAADLO CCOCC(=O)N[C@H]1CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001400591667 889114351 /nfs/dbraw/zinc/11/43/51/889114351.db2.gz QSXSYYOQBRYIEY-QMMMGPOBSA-N 1 2 272.305 -1.592 20 0 CAADLO CCOCC(=O)N[C@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001400591667 889114362 /nfs/dbraw/zinc/11/43/62/889114362.db2.gz QSXSYYOQBRYIEY-QMMMGPOBSA-N 1 2 272.305 -1.592 20 0 CAADLO CO[C@H](C)C(=O)N[C@H]1CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001400605691 889115461 /nfs/dbraw/zinc/11/54/61/889115461.db2.gz NOZBYVIKVLCQLB-SFYZADRCSA-N 1 2 272.305 -1.593 20 0 CAADLO CO[C@H](C)C(=O)N[C@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001400605691 889115465 /nfs/dbraw/zinc/11/54/65/889115465.db2.gz NOZBYVIKVLCQLB-SFYZADRCSA-N 1 2 272.305 -1.593 20 0 CAADLO NC(=O)NC(=O)C[N@@H+]1CC[C@@H](NC(=O)C2=CCOCC2)C1 ZINC001400653017 889115659 /nfs/dbraw/zinc/11/56/59/889115659.db2.gz HFNBVFMRYIZACZ-SNVBAGLBSA-N 1 2 296.327 -1.282 20 0 CAADLO NC(=O)NC(=O)C[N@H+]1CC[C@@H](NC(=O)C2=CCOCC2)C1 ZINC001400653017 889115662 /nfs/dbraw/zinc/11/56/62/889115662.db2.gz HFNBVFMRYIZACZ-SNVBAGLBSA-N 1 2 296.327 -1.282 20 0 CAADLO CCN(C(=O)CNC(=O)OC)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001400737106 889117566 /nfs/dbraw/zinc/11/75/66/889117566.db2.gz JPOMMDFITFINAX-VIFPVBQESA-N 1 2 286.332 -1.250 20 0 CAADLO CCN(C(=O)CNC(=O)OC)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001400737106 889117559 /nfs/dbraw/zinc/11/75/59/889117559.db2.gz JPOMMDFITFINAX-VIFPVBQESA-N 1 2 286.332 -1.250 20 0 CAADLO CCN(C(=O)CNC(=O)OC)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001400737098 889119347 /nfs/dbraw/zinc/11/93/47/889119347.db2.gz JPOMMDFITFINAX-SECBINFHSA-N 1 2 286.332 -1.250 20 0 CAADLO CCN(C(=O)CNC(=O)OC)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001400737098 889119352 /nfs/dbraw/zinc/11/93/52/889119352.db2.gz JPOMMDFITFINAX-SECBINFHSA-N 1 2 286.332 -1.250 20 0 CAADLO C[C@H](CNC(=O)c1cn[nH]n1)C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001401119982 889127492 /nfs/dbraw/zinc/12/74/92/889127492.db2.gz UFEUMYBSLVEZNA-ZETCQYMHSA-N 1 2 294.319 -1.618 20 0 CAADLO C[C@H](CNC(=O)c1cnn[nH]1)C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001401119982 889127503 /nfs/dbraw/zinc/12/75/03/889127503.db2.gz UFEUMYBSLVEZNA-ZETCQYMHSA-N 1 2 294.319 -1.618 20 0 CAADLO COCC[N@@H+]1CCO[C@@H](CNC(=O)Cn2ncnn2)C1 ZINC001401165498 889128077 /nfs/dbraw/zinc/12/80/77/889128077.db2.gz RAAKGZPZNIBAKS-JTQLQIEISA-N 1 2 284.320 -1.864 20 0 CAADLO COCC[N@@H+]1CCO[C@H](CNC(=O)Cn2ncnn2)C1 ZINC001401165526 889128730 /nfs/dbraw/zinc/12/87/30/889128730.db2.gz RAAKGZPZNIBAKS-SNVBAGLBSA-N 1 2 284.320 -1.864 20 0 CAADLO COCC[N@H+]1CCO[C@H](CNC(=O)Cn2ncnn2)C1 ZINC001401165526 889128732 /nfs/dbraw/zinc/12/87/32/889128732.db2.gz RAAKGZPZNIBAKS-SNVBAGLBSA-N 1 2 284.320 -1.864 20 0 CAADLO CN(CC[N@H+](C)Cc1cnnn1C)C(=O)[C@H]1CCC(=O)N1 ZINC001401360086 889134140 /nfs/dbraw/zinc/13/41/40/889134140.db2.gz RRBNOPAAWGBNSQ-LLVKDONJSA-N 1 2 294.359 -1.016 20 0 CAADLO CN(CC[N@@H+](C)Cc1cnnn1C)C(=O)[C@H]1CCC(=O)N1 ZINC001401360086 889134149 /nfs/dbraw/zinc/13/41/49/889134149.db2.gz RRBNOPAAWGBNSQ-LLVKDONJSA-N 1 2 294.359 -1.016 20 0 CAADLO CNC(=O)C[N@H+](C)CCN(C)C(=O)CN1CCOCC1 ZINC001401362823 889134469 /nfs/dbraw/zinc/13/44/69/889134469.db2.gz MBXBTGFRTVAWOG-UHFFFAOYSA-N 1 2 286.376 -1.545 20 0 CAADLO CNC(=O)C[N@@H+](C)CCN(C)C(=O)CN1CCOCC1 ZINC001401362823 889134478 /nfs/dbraw/zinc/13/44/78/889134478.db2.gz MBXBTGFRTVAWOG-UHFFFAOYSA-N 1 2 286.376 -1.545 20 0 CAADLO CNS(=O)(=O)CCC(=O)N(C)CC[N@H+](C)CC(N)=O ZINC001401369940 889136183 /nfs/dbraw/zinc/13/61/83/889136183.db2.gz LDIRNDDKJKYRIR-UHFFFAOYSA-N 1 2 294.377 -2.199 20 0 CAADLO CNS(=O)(=O)CCC(=O)N(C)CC[N@@H+](C)CC(N)=O ZINC001401369940 889136189 /nfs/dbraw/zinc/13/61/89/889136189.db2.gz LDIRNDDKJKYRIR-UHFFFAOYSA-N 1 2 294.377 -2.199 20 0 CAADLO CN(CC[N@H+](C)Cc1cnnn1C)C(=O)[C@@H]1CNC(=O)N1 ZINC001401387526 889136808 /nfs/dbraw/zinc/13/68/08/889136808.db2.gz YWRKDUGCJBQSHJ-JTQLQIEISA-N 1 2 295.347 -1.613 20 0 CAADLO CN(CC[N@@H+](C)Cc1cnnn1C)C(=O)[C@@H]1CNC(=O)N1 ZINC001401387526 889136813 /nfs/dbraw/zinc/13/68/13/889136813.db2.gz YWRKDUGCJBQSHJ-JTQLQIEISA-N 1 2 295.347 -1.613 20 0 CAADLO Cc1noc(C[NH2+]C[C@H](O)CNC(=O)c2ncn(C)n2)n1 ZINC001401501532 889147419 /nfs/dbraw/zinc/14/74/19/889147419.db2.gz DZTUCBPLWKMYSE-QMMMGPOBSA-N 1 2 295.303 -1.613 20 0 CAADLO CNC(=O)C[NH2+]C[C@@H](O)CNC(=O)c1[nH]nc(C)c1C ZINC001401514504 889149455 /nfs/dbraw/zinc/14/94/55/889149455.db2.gz UKHIFIFFKIDTCO-SECBINFHSA-N 1 2 283.332 -1.547 20 0 CAADLO Cc1nn[nH]c1C(=O)NC[C@H](O)C[NH2+]Cc1cnsn1 ZINC001401549972 889154871 /nfs/dbraw/zinc/15/48/71/889154871.db2.gz GWFXMCSRZNNLRG-MRVPVSSYSA-N 1 2 297.344 -1.155 20 0 CAADLO Cc1nc(C[NH2+]C[C@H](O)CNC(=O)c2cn[nH]n2)co1 ZINC001401559119 889157694 /nfs/dbraw/zinc/15/76/94/889157694.db2.gz LNFKOUOTICLSOZ-VIFPVBQESA-N 1 2 280.288 -1.018 20 0 CAADLO Cc1nc(C[NH2+]C[C@H](O)CNC(=O)c2cnn[nH]2)co1 ZINC001401559119 889157703 /nfs/dbraw/zinc/15/77/03/889157703.db2.gz LNFKOUOTICLSOZ-VIFPVBQESA-N 1 2 280.288 -1.018 20 0 CAADLO O=C(NC[C@H](O)C[NH2+]Cc1cnns1)c1cnn[nH]1 ZINC001401569902 889161583 /nfs/dbraw/zinc/16/15/83/889161583.db2.gz SGOUWTKJNNFJKW-ZCFIWIBFSA-N 1 2 283.317 -1.463 20 0 CAADLO Cc1cnc(C[NH2+]C[C@@H](O)CNC(=O)c2nnc[nH]2)nc1 ZINC001401580906 889164161 /nfs/dbraw/zinc/16/41/61/889164161.db2.gz NNTCYYYYHYCKJE-SECBINFHSA-N 1 2 291.315 -1.216 20 0 CAADLO Cn1cnnc1C[NH2+]C[C@H](O)CNC(=O)c1nnc[nH]1 ZINC001401582810 889164368 /nfs/dbraw/zinc/16/43/68/889164368.db2.gz PDJPPGBJDWVBLG-ZETCQYMHSA-N 1 2 280.292 -2.186 20 0 CAADLO Cn1cnnc1C[NH2+]C[C@H](O)CNC(=O)c1ncn[nH]1 ZINC001401582810 889164374 /nfs/dbraw/zinc/16/43/74/889164374.db2.gz PDJPPGBJDWVBLG-ZETCQYMHSA-N 1 2 280.292 -2.186 20 0 CAADLO CCN(CC[NH2+][C@H](C)C(=O)NC)C(=O)Cc1ncn[nH]1 ZINC001401595680 889168191 /nfs/dbraw/zinc/16/81/91/889168191.db2.gz LOKGMEGMHTVABN-SECBINFHSA-N 1 2 282.348 -1.080 20 0 CAADLO CC(=O)NCC(=O)NCC1CC([NH2+]Cc2nnn(C)n2)C1 ZINC001401587354 889168698 /nfs/dbraw/zinc/16/86/98/889168698.db2.gz MOXGHENDPTXIOY-UHFFFAOYSA-N 1 2 295.347 -1.669 20 0 CAADLO CCN(CC[NH2+][C@@H](C)C(=O)NC)C(=O)Cc1ncn[nH]1 ZINC001401595681 889168874 /nfs/dbraw/zinc/16/88/74/889168874.db2.gz LOKGMEGMHTVABN-VIFPVBQESA-N 1 2 282.348 -1.080 20 0 CAADLO COCCC(=O)NC[C@H](O)C[NH2+]Cc1nc(C)no1 ZINC001401603532 889168906 /nfs/dbraw/zinc/16/89/06/889168906.db2.gz IFWUKYJGMWBEEU-SECBINFHSA-N 1 2 272.305 -1.019 20 0 CAADLO O=C(Cc1nc[nH]n1)NC[C@H](O)C[NH2+]Cc1csnn1 ZINC001401634873 889170837 /nfs/dbraw/zinc/17/08/37/889170837.db2.gz QTMYWFNWHJDKOE-MRVPVSSYSA-N 1 2 297.344 -1.534 20 0 CAADLO O=C(Cc1nc[nH]n1)NC[C@@H](O)C[NH2+]Cc1csnn1 ZINC001401634875 889171885 /nfs/dbraw/zinc/17/18/85/889171885.db2.gz QTMYWFNWHJDKOE-QMMMGPOBSA-N 1 2 297.344 -1.534 20 0 CAADLO CCC(=O)NCC(=O)NC[C@H]1CC[N@@H+]1CC(=O)N1CCC1 ZINC001401872774 889188842 /nfs/dbraw/zinc/18/88/42/889188842.db2.gz IQPWKZVPZZBLRV-LLVKDONJSA-N 1 2 296.371 -1.065 20 0 CAADLO CCC(=O)NCC(=O)NC[C@H]1CC[N@H+]1CC(=O)N1CCC1 ZINC001401872774 889188856 /nfs/dbraw/zinc/18/88/56/889188856.db2.gz IQPWKZVPZZBLRV-LLVKDONJSA-N 1 2 296.371 -1.065 20 0 CAADLO CC[C@H](C(N)=O)[N@@H+]1CC[C@@H]1CNC(=O)Cn1ncnn1 ZINC001401885644 889188945 /nfs/dbraw/zinc/18/89/45/889188945.db2.gz FVZYPQCNWGFKCY-RKDXNWHRSA-N 1 2 281.320 -1.873 20 0 CAADLO CC[C@H](C(N)=O)[N@H+]1CC[C@@H]1CNC(=O)Cn1ncnn1 ZINC001401885644 889188959 /nfs/dbraw/zinc/18/89/59/889188959.db2.gz FVZYPQCNWGFKCY-RKDXNWHRSA-N 1 2 281.320 -1.873 20 0 CAADLO Cn1c[nH+]cc1CN1CC[C@@H]1CNC(=O)Cn1ncnn1 ZINC001401890651 889189652 /nfs/dbraw/zinc/18/96/52/889189652.db2.gz MQNOXWFYQFYDED-SNVBAGLBSA-N 1 2 290.331 -1.203 20 0 CAADLO CC[C@@H](C(N)=O)[N@@H+]1CC[C@@H]1CNC(=O)CN(C)C(C)=O ZINC001401872278 889189730 /nfs/dbraw/zinc/18/97/30/889189730.db2.gz CRVMWGJPXXMVQF-MNOVXSKESA-N 1 2 284.360 -1.081 20 0 CAADLO CC[C@@H](C(N)=O)[N@H+]1CC[C@@H]1CNC(=O)CN(C)C(C)=O ZINC001401872278 889189737 /nfs/dbraw/zinc/18/97/37/889189737.db2.gz CRVMWGJPXXMVQF-MNOVXSKESA-N 1 2 284.360 -1.081 20 0 CAADLO CCN1CC[C@@H]([N@@H+]2CC[C@@H]2CNC(=O)CNC(C)=O)C1=O ZINC001401871925 889190121 /nfs/dbraw/zinc/19/01/21/889190121.db2.gz RDQNZDQKKCMUOO-VXGBXAGGSA-N 1 2 296.371 -1.066 20 0 CAADLO CCN1CC[C@@H]([N@H+]2CC[C@@H]2CNC(=O)CNC(C)=O)C1=O ZINC001401871925 889190125 /nfs/dbraw/zinc/19/01/25/889190125.db2.gz RDQNZDQKKCMUOO-VXGBXAGGSA-N 1 2 296.371 -1.066 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+]1CC[C@H]1CNC(=O)CNC(=O)C1CC1 ZINC001401868983 889190238 /nfs/dbraw/zinc/19/02/38/889190238.db2.gz MQSLMXDOWVYDCT-KOLCDFICSA-N 1 2 296.371 -1.162 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+]1CC[C@H]1CNC(=O)CNC(=O)C1CC1 ZINC001401868983 889190239 /nfs/dbraw/zinc/19/02/39/889190239.db2.gz MQSLMXDOWVYDCT-KOLCDFICSA-N 1 2 296.371 -1.162 20 0 CAADLO CN(C)C(=O)C[N@@H+]1CC[C@H]1CNC(=O)CN1CCCC1=O ZINC001401873390 889190381 /nfs/dbraw/zinc/19/03/81/889190381.db2.gz PGGITCHXGRVSPN-NSHDSACASA-N 1 2 296.371 -1.113 20 0 CAADLO CN(C)C(=O)C[N@H+]1CC[C@H]1CNC(=O)CN1CCCC1=O ZINC001401873390 889190386 /nfs/dbraw/zinc/19/03/86/889190386.db2.gz PGGITCHXGRVSPN-NSHDSACASA-N 1 2 296.371 -1.113 20 0 CAADLO CC[C@@H](C(N)=O)[N@@H+]1CC[C@@H]1CNC(=O)Cn1ncnn1 ZINC001401885634 889191030 /nfs/dbraw/zinc/19/10/30/889191030.db2.gz FVZYPQCNWGFKCY-BDAKNGLRSA-N 1 2 281.320 -1.873 20 0 CAADLO CC[C@@H](C(N)=O)[N@H+]1CC[C@@H]1CNC(=O)Cn1ncnn1 ZINC001401885634 889191041 /nfs/dbraw/zinc/19/10/41/889191041.db2.gz FVZYPQCNWGFKCY-BDAKNGLRSA-N 1 2 281.320 -1.873 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+]1CC[C@@H]1CNC(=O)CNC(=O)C1CC1 ZINC001401868987 889191135 /nfs/dbraw/zinc/19/11/35/889191135.db2.gz MQSLMXDOWVYDCT-MWLCHTKSSA-N 1 2 296.371 -1.162 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+]1CC[C@@H]1CNC(=O)CNC(=O)C1CC1 ZINC001401868987 889191167 /nfs/dbraw/zinc/19/11/67/889191167.db2.gz MQSLMXDOWVYDCT-MWLCHTKSSA-N 1 2 296.371 -1.162 20 0 CAADLO C[C@H](NC(N)=O)C(=O)NC[C@H]1CC[N@@H+]1CC(=O)N(C)C ZINC001401897717 889191193 /nfs/dbraw/zinc/19/11/93/889191193.db2.gz QZWNWNSGLKDXQD-DTWKUNHWSA-N 1 2 285.348 -1.678 20 0 CAADLO C[C@H](NC(N)=O)C(=O)NC[C@H]1CC[N@H+]1CC(=O)N(C)C ZINC001401897717 889191202 /nfs/dbraw/zinc/19/12/02/889191202.db2.gz QZWNWNSGLKDXQD-DTWKUNHWSA-N 1 2 285.348 -1.678 20 0 CAADLO CN(C)C(=O)C[N@@H+]1CC[C@H]1CNC(=O)C[C@H]1CCC(=O)N1 ZINC001401922250 889192880 /nfs/dbraw/zinc/19/28/80/889192880.db2.gz IXXFMDOEJTXPKF-MNOVXSKESA-N 1 2 296.371 -1.066 20 0 CAADLO CN(C)C(=O)C[N@H+]1CC[C@H]1CNC(=O)C[C@H]1CCC(=O)N1 ZINC001401922250 889192885 /nfs/dbraw/zinc/19/28/85/889192885.db2.gz IXXFMDOEJTXPKF-MNOVXSKESA-N 1 2 296.371 -1.066 20 0 CAADLO CC(=O)NCC(=O)NCC1([NH2+]Cc2nncn2C)CC1 ZINC001401918832 889192943 /nfs/dbraw/zinc/19/29/43/889192943.db2.gz POJBRDXBLFPMMG-UHFFFAOYSA-N 1 2 280.332 -1.310 20 0 CAADLO CN(C)C(=O)C[N@@H+]1CC[C@H]1CNC(=O)C[C@@H]1CCC(=O)N1 ZINC001401922257 889192960 /nfs/dbraw/zinc/19/29/60/889192960.db2.gz IXXFMDOEJTXPKF-QWRGUYRKSA-N 1 2 296.371 -1.066 20 0 CAADLO CN(C)C(=O)C[N@H+]1CC[C@H]1CNC(=O)C[C@@H]1CCC(=O)N1 ZINC001401922257 889192964 /nfs/dbraw/zinc/19/29/64/889192964.db2.gz IXXFMDOEJTXPKF-QWRGUYRKSA-N 1 2 296.371 -1.066 20 0 CAADLO CN(C)C(=O)C[N@@H+]1CC[C@@H]1CNC(=O)C[C@@H]1CCC(=O)N1 ZINC001401922267 889193003 /nfs/dbraw/zinc/19/30/03/889193003.db2.gz IXXFMDOEJTXPKF-WDEREUQCSA-N 1 2 296.371 -1.066 20 0 CAADLO CN(C)C(=O)C[N@H+]1CC[C@@H]1CNC(=O)C[C@@H]1CCC(=O)N1 ZINC001401922267 889193006 /nfs/dbraw/zinc/19/30/06/889193006.db2.gz IXXFMDOEJTXPKF-WDEREUQCSA-N 1 2 296.371 -1.066 20 0 CAADLO O=C(Cc1nnc[nH]1)NC[C@@H]1CC[N@@H+]1CCn1cncn1 ZINC001401928129 889193037 /nfs/dbraw/zinc/19/30/37/889193037.db2.gz MCPDYKAPJYGJOH-JTQLQIEISA-N 1 2 290.331 -1.171 20 0 CAADLO O=C(Cc1nnc[nH]1)NC[C@@H]1CC[N@H+]1CCn1cncn1 ZINC001401928129 889193041 /nfs/dbraw/zinc/19/30/41/889193041.db2.gz MCPDYKAPJYGJOH-JTQLQIEISA-N 1 2 290.331 -1.171 20 0 CAADLO Cn1nnnc1C[NH2+]C1(CNC(=O)[C@H]2CCC(=O)N2)CC1 ZINC001401933811 889193108 /nfs/dbraw/zinc/19/31/08/889193108.db2.gz FFFXMOGVVCFRCH-MRVPVSSYSA-N 1 2 293.331 -1.773 20 0 CAADLO COC[C@@H](O)C[N@@H+]1CC[C@H]1CNC(=O)Cc1nnc[nH]1 ZINC001401930057 889193141 /nfs/dbraw/zinc/19/31/41/889193141.db2.gz QBIYVQVSIHAWTD-UWVGGRQHSA-N 1 2 283.332 -1.455 20 0 CAADLO COC[C@@H](O)C[N@H+]1CC[C@H]1CNC(=O)Cc1nnc[nH]1 ZINC001401930057 889193148 /nfs/dbraw/zinc/19/31/48/889193148.db2.gz QBIYVQVSIHAWTD-UWVGGRQHSA-N 1 2 283.332 -1.455 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CC[C@@H]1CNC(=O)CCc1cn(C)nn1 ZINC001401913453 889193693 /nfs/dbraw/zinc/19/36/93/889193693.db2.gz IPMZBKYKCBSKCM-GXSJLCMTSA-N 1 2 294.359 -1.188 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CC[C@@H]1CNC(=O)CCc1cn(C)nn1 ZINC001401913453 889193703 /nfs/dbraw/zinc/19/37/03/889193703.db2.gz IPMZBKYKCBSKCM-GXSJLCMTSA-N 1 2 294.359 -1.188 20 0 CAADLO CN(C)C(=O)C[N@@H+]1CC[C@@H]1CNC(=O)C[C@H]1CCC(=O)N1 ZINC001401922243 889194280 /nfs/dbraw/zinc/19/42/80/889194280.db2.gz IXXFMDOEJTXPKF-GHMZBOCLSA-N 1 2 296.371 -1.066 20 0 CAADLO CN(C)C(=O)C[N@H+]1CC[C@@H]1CNC(=O)C[C@H]1CCC(=O)N1 ZINC001401922243 889194293 /nfs/dbraw/zinc/19/42/93/889194293.db2.gz IXXFMDOEJTXPKF-GHMZBOCLSA-N 1 2 296.371 -1.066 20 0 CAADLO COC(=O)NCC(=O)NCC1([NH2+]Cc2ncnn2C)CC1 ZINC001401923430 889195067 /nfs/dbraw/zinc/19/50/67/889195067.db2.gz RFPZCVYVQSAXEV-UHFFFAOYSA-N 1 2 296.331 -1.091 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(N(C)C(=O)[C@H](C)NC(N)=O)C1 ZINC001402009671 889196248 /nfs/dbraw/zinc/19/62/48/889196248.db2.gz LIBRLVKCDAFPBI-WPRPVWTQSA-N 1 2 288.348 -1.807 20 0 CAADLO Cn1ncnc1C[NH2+]C1(CNC(=O)CCNC(N)=O)CC1 ZINC001401982934 889197953 /nfs/dbraw/zinc/19/79/53/889197953.db2.gz OGCYQDDOZWGCCD-UHFFFAOYSA-N 1 2 295.347 -1.388 20 0 CAADLO Cn1cnnc1C[NH2+]C1(CNC(=O)c2cn[nH]n2)CC1 ZINC001401953525 889197984 /nfs/dbraw/zinc/19/79/84/889197984.db2.gz MKUBSGUPUGXTFK-UHFFFAOYSA-N 1 2 276.304 -1.015 20 0 CAADLO Cn1nnnc1C[NH2+]C1(CNC(=O)[C@]23C[C@H]2COC3)CC1 ZINC001401946624 889198033 /nfs/dbraw/zinc/19/80/33/889198033.db2.gz HRAMTMUHLSYMTB-ZANVPECISA-N 1 2 292.343 -1.015 20 0 CAADLO CNS(=O)(=O)NCC(=O)N(C)C1C[NH+](CCOC)C1 ZINC001402025393 889199552 /nfs/dbraw/zinc/19/95/52/889199552.db2.gz IQLKZWNKFDESBV-UHFFFAOYSA-N 1 2 294.377 -2.171 20 0 CAADLO COCC[NH+]1CCN(CCNC(=O)c2cnn[nH]2)CC1 ZINC001402113814 889199863 /nfs/dbraw/zinc/19/98/63/889199863.db2.gz QXNNDGGQZWZEQV-UHFFFAOYSA-N 1 2 282.348 -1.202 20 0 CAADLO CNC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)Cc1ncn[nH]1 ZINC001402086082 889200764 /nfs/dbraw/zinc/20/07/64/889200764.db2.gz ZHMRTNNUULBMDI-VIFPVBQESA-N 1 2 280.332 -1.326 20 0 CAADLO CNC(=O)NC(=O)CN1CC[NH+](CCNC(C)=O)CC1 ZINC001402099727 889200795 /nfs/dbraw/zinc/20/07/95/889200795.db2.gz WOJRBZXDLDEZBC-UHFFFAOYSA-N 1 2 285.348 -1.804 20 0 CAADLO CC(=O)NC(C)(C)C(=O)N[C@@H]1CCC[N@H+](CC(N)=O)C1 ZINC001402091299 889201242 /nfs/dbraw/zinc/20/12/42/889201242.db2.gz MNORLTHSZCULPA-SNVBAGLBSA-N 1 2 284.360 -1.033 20 0 CAADLO CC(=O)NC(C)(C)C(=O)N[C@@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001402091299 889201260 /nfs/dbraw/zinc/20/12/60/889201260.db2.gz MNORLTHSZCULPA-SNVBAGLBSA-N 1 2 284.360 -1.033 20 0 CAADLO C[C@H](NC(N)=O)C(=O)NCC[NH+]1CCN(CCF)CC1 ZINC001402116451 889201827 /nfs/dbraw/zinc/20/18/27/889201827.db2.gz RWBWEVOFPHOPKI-JTQLQIEISA-N 1 2 289.355 -1.254 20 0 CAADLO CCCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cn2cnnn2)C1 ZINC001402156799 889203665 /nfs/dbraw/zinc/20/36/65/889203665.db2.gz YMRIZUVRFJUSKE-SNVBAGLBSA-N 1 2 295.347 -1.610 20 0 CAADLO CCCNC(=O)C[N@H+]1CC[C@@H](NC(=O)Cn2cnnn2)C1 ZINC001402156799 889203681 /nfs/dbraw/zinc/20/36/81/889203681.db2.gz YMRIZUVRFJUSKE-SNVBAGLBSA-N 1 2 295.347 -1.610 20 0 CAADLO COCCC(=O)N[C@@H]1CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001402152393 889203719 /nfs/dbraw/zinc/20/37/19/889203719.db2.gz ARPLSGOOJFSXPE-MRVPVSSYSA-N 1 2 272.305 -1.592 20 0 CAADLO COCCC(=O)N[C@@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001402152393 889203730 /nfs/dbraw/zinc/20/37/30/889203730.db2.gz ARPLSGOOJFSXPE-MRVPVSSYSA-N 1 2 272.305 -1.592 20 0 CAADLO NC(=O)NC(=O)C[N@@H+]1CC[C@@H](NC(=O)COCC2CC2)C1 ZINC001402155554 889203840 /nfs/dbraw/zinc/20/38/40/889203840.db2.gz KFWKTXDZCFPSLL-SNVBAGLBSA-N 1 2 298.343 -1.202 20 0 CAADLO NC(=O)NC(=O)C[N@H+]1CC[C@@H](NC(=O)COCC2CC2)C1 ZINC001402155554 889203854 /nfs/dbraw/zinc/20/38/54/889203854.db2.gz KFWKTXDZCFPSLL-SNVBAGLBSA-N 1 2 298.343 -1.202 20 0 CAADLO CCC(=O)N[C@@H](C)C(=O)N[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001402165018 889204408 /nfs/dbraw/zinc/20/44/08/889204408.db2.gz MOKAMVZVRZOXIZ-DTWKUNHWSA-N 1 2 270.333 -1.423 20 0 CAADLO CCC(=O)N[C@@H](C)C(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001402165018 889204419 /nfs/dbraw/zinc/20/44/19/889204419.db2.gz MOKAMVZVRZOXIZ-DTWKUNHWSA-N 1 2 270.333 -1.423 20 0 CAADLO CC(C)NC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCC(=O)N2)C1 ZINC001402169298 889204606 /nfs/dbraw/zinc/20/46/06/889204606.db2.gz CTLQLFIDMPFUQY-GHMZBOCLSA-N 1 2 296.371 -1.020 20 0 CAADLO CC(C)NC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CCC(=O)N2)C1 ZINC001402169298 889204617 /nfs/dbraw/zinc/20/46/17/889204617.db2.gz CTLQLFIDMPFUQY-GHMZBOCLSA-N 1 2 296.371 -1.020 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@](C)(NC(=O)Cc2nnc[nH]2)C1 ZINC001402129461 889204659 /nfs/dbraw/zinc/20/46/59/889204659.db2.gz LKSDDLTZZVIGGC-GFCCVEGCSA-N 1 2 280.332 -1.326 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@](C)(NC(=O)Cc2nnc[nH]2)C1 ZINC001402129461 889204669 /nfs/dbraw/zinc/20/46/69/889204669.db2.gz LKSDDLTZZVIGGC-GFCCVEGCSA-N 1 2 280.332 -1.326 20 0 CAADLO CNC(=O)NC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@@H](C)OC)C1 ZINC001402178925 889205138 /nfs/dbraw/zinc/20/51/38/889205138.db2.gz QWAYGJGJXYSWKQ-RKDXNWHRSA-N 1 2 286.332 -1.333 20 0 CAADLO CNC(=O)NC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@@H](C)OC)C1 ZINC001402178925 889205155 /nfs/dbraw/zinc/20/51/55/889205155.db2.gz QWAYGJGJXYSWKQ-RKDXNWHRSA-N 1 2 286.332 -1.333 20 0 CAADLO CCC(=O)N[C@@H](C)C(=O)N[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001402165021 889205706 /nfs/dbraw/zinc/20/57/06/889205706.db2.gz MOKAMVZVRZOXIZ-IUCAKERBSA-N 1 2 270.333 -1.423 20 0 CAADLO CCC(=O)N[C@@H](C)C(=O)N[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001402165021 889205718 /nfs/dbraw/zinc/20/57/18/889205718.db2.gz MOKAMVZVRZOXIZ-IUCAKERBSA-N 1 2 270.333 -1.423 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)COC[C@@H]2CCCO2)C1 ZINC001402227263 889205968 /nfs/dbraw/zinc/20/59/68/889205968.db2.gz COOSUPCLPGZOCM-QWRGUYRKSA-N 1 2 285.344 -1.142 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)COC[C@@H]2CCCO2)C1 ZINC001402227263 889205980 /nfs/dbraw/zinc/20/59/80/889205980.db2.gz COOSUPCLPGZOCM-QWRGUYRKSA-N 1 2 285.344 -1.142 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)CCn2cnccc2=O)C1 ZINC001402215737 889207455 /nfs/dbraw/zinc/20/74/55/889207455.db2.gz RXUNJIMFQYVXPA-SNVBAGLBSA-N 1 2 293.327 -1.691 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)CCn2cnccc2=O)C1 ZINC001402215737 889207466 /nfs/dbraw/zinc/20/74/66/889207466.db2.gz RXUNJIMFQYVXPA-SNVBAGLBSA-N 1 2 293.327 -1.691 20 0 CAADLO CCC(=O)NC[C@@]1(O)CC[N@H+](CCS(C)(=O)=O)C1 ZINC001402249699 889210486 /nfs/dbraw/zinc/21/04/86/889210486.db2.gz UHWMHBABDXTHQT-NSHDSACASA-N 1 2 278.374 -1.006 20 0 CAADLO CCC(=O)NC[C@@]1(O)CC[N@@H+](CCS(C)(=O)=O)C1 ZINC001402249699 889210500 /nfs/dbraw/zinc/21/05/00/889210500.db2.gz UHWMHBABDXTHQT-NSHDSACASA-N 1 2 278.374 -1.006 20 0 CAADLO COC[C@@H](C)OC[C@@H](O)C[NH+]1CC(O)(CNC(C)=O)C1 ZINC001402284793 889215396 /nfs/dbraw/zinc/21/53/96/889215396.db2.gz LCBKZNZHWFLOSZ-PWSUYJOCSA-N 1 2 290.360 -1.418 20 0 CAADLO COC[C@H](C)OC[C@H](O)C[NH+]1CC(O)(CNC(C)=O)C1 ZINC001402284760 889217106 /nfs/dbraw/zinc/21/71/06/889217106.db2.gz LCBKZNZHWFLOSZ-CMPLNLGQSA-N 1 2 290.360 -1.418 20 0 CAADLO COC[C@H](O)C[NH+]1CC(O)(CNC(=O)c2ccncc2)C1 ZINC001402277479 889218187 /nfs/dbraw/zinc/21/81/87/889218187.db2.gz HLKVUDWBAJMFHC-GFCCVEGCSA-N 1 2 295.339 -1.135 20 0 CAADLO COC(=O)NCC(=O)NCC1(O)C[NH+](C[C@H](C)O)C1 ZINC001402298500 889219746 /nfs/dbraw/zinc/21/97/46/889219746.db2.gz ASRPCOCSZJKQRH-QMMMGPOBSA-N 1 2 275.305 -2.114 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(O)(CNC(=O)c2cnn(C)c2)C1 ZINC001402307701 889220224 /nfs/dbraw/zinc/22/02/24/889220224.db2.gz JTXURRIYTNUNTC-NSHDSACASA-N 1 2 298.343 -1.796 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(O)(CNC(=O)[C@@H]2CCCO2)C1 ZINC001402298045 889221254 /nfs/dbraw/zinc/22/12/54/889221254.db2.gz YSGCVRPDUDBYKC-QWRGUYRKSA-N 1 2 288.344 -1.664 20 0 CAADLO COC[C@H](O)C[NH+]1CC(O)(CNC(=O)[C@H]2CCCO2)C1 ZINC001402298041 889221612 /nfs/dbraw/zinc/22/16/12/889221612.db2.gz YSGCVRPDUDBYKC-GHMZBOCLSA-N 1 2 288.344 -1.664 20 0 CAADLO COC[C@H](O)C[NH+]1CC(O)(CNC(=O)C[C@@H](C)OC)C1 ZINC001402311025 889222391 /nfs/dbraw/zinc/22/23/91/889222391.db2.gz JUFNJBHYLSFOMB-GHMZBOCLSA-N 1 2 290.360 -1.418 20 0 CAADLO CO[C@@H](C)C[NH+]1CC(O)(CNC(=O)[C@H]2COCCO2)C1 ZINC001402306185 889222509 /nfs/dbraw/zinc/22/25/09/889222509.db2.gz DMZQOSVCDQLQIQ-WDEREUQCSA-N 1 2 288.344 -1.400 20 0 CAADLO COC[C@H](O)C[NH+]1CC(O)(CNC(=O)C[C@H](C)OC)C1 ZINC001402311035 889222797 /nfs/dbraw/zinc/22/27/97/889222797.db2.gz JUFNJBHYLSFOMB-WDEREUQCSA-N 1 2 290.360 -1.418 20 0 CAADLO Cc1cc(C(=O)NCC2(O)C[NH+](C[C@@H](C)O)C2)ncn1 ZINC001402325969 889226063 /nfs/dbraw/zinc/22/60/63/889226063.db2.gz ZQDFJUWWIFXSGR-SNVBAGLBSA-N 1 2 280.328 -1.058 20 0 CAADLO COC[C@H](C)[NH+]1CC(O)(CNC(=O)c2cnc[nH]c2=O)C1 ZINC001402335486 889228286 /nfs/dbraw/zinc/22/82/86/889228286.db2.gz JXXXBZRUJYHVJM-VIFPVBQESA-N 1 2 296.327 -1.006 20 0 CAADLO COCC1(C(=O)NCC2(O)C[NH+](CCCO)C2)CC1 ZINC001402335103 889228421 /nfs/dbraw/zinc/22/84/21/889228421.db2.gz HTBCTXFCNHDREJ-UHFFFAOYSA-N 1 2 272.345 -1.042 20 0 CAADLO Cn1cc(C(=O)NCC2(O)C[NH+](CCCO)C2)ccc1=O ZINC001402342595 889228690 /nfs/dbraw/zinc/22/86/90/889228690.db2.gz UPJLZPLPKJWLJM-UHFFFAOYSA-N 1 2 295.339 -1.456 20 0 CAADLO CNC(=O)NCC(=O)NCC1(O)C[NH+](CC[C@@H](C)F)C1 ZINC001402337079 889228741 /nfs/dbraw/zinc/22/87/41/889228741.db2.gz QRGBAVKJBUQKGX-SECBINFHSA-N 1 2 290.339 -1.174 20 0 CAADLO COC[C@@H](C)[NH+]1CC(O)(CNC(=O)c2cnc[nH]c2=O)C1 ZINC001402335483 889229964 /nfs/dbraw/zinc/22/99/64/889229964.db2.gz JXXXBZRUJYHVJM-SECBINFHSA-N 1 2 296.327 -1.006 20 0 CAADLO COC1CC(C(=O)NCC2(O)C[NH+](C[C@H](C)O)C2)C1 ZINC001402335910 889230250 /nfs/dbraw/zinc/23/02/50/889230250.db2.gz UAOBRXDDXJNTIE-WHXUTIOJSA-N 1 2 272.345 -1.045 20 0 CAADLO C[C@H](O)C[NH+]1CC(O)(CNC(=O)C[C@H]2CCC(=O)N2)C1 ZINC001402351881 889231944 /nfs/dbraw/zinc/23/19/44/889231944.db2.gz IUSDNMRDEYKCCM-VHSXEESVSA-N 1 2 285.344 -1.801 20 0 CAADLO CC[C@H](C(N)=O)N1CC(O)(CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001402356317 889232120 /nfs/dbraw/zinc/23/21/20/889232120.db2.gz HGJMPPRRPFURFY-SNVBAGLBSA-N 1 2 295.343 -1.621 20 0 CAADLO Cc1nonc1CC(=O)NCC1(O)C[NH+](CCCO)C1 ZINC001402360861 889232433 /nfs/dbraw/zinc/23/24/33/889232433.db2.gz UCSDCZAYMUOPRD-UHFFFAOYSA-N 1 2 284.316 -1.534 20 0 CAADLO COC[C@H](C)[NH+]1CC(O)(CNC(=O)c2c[nH]c(=O)cn2)C1 ZINC001402349219 889232750 /nfs/dbraw/zinc/23/27/50/889232750.db2.gz HIJBYFVZUIUSLQ-VIFPVBQESA-N 1 2 296.327 -1.419 20 0 CAADLO CCn1cc(C(=O)NCC2(O)C[NH+](CCCO)C2)nn1 ZINC001402356873 889233105 /nfs/dbraw/zinc/23/31/05/889233105.db2.gz MGXLXYVQHKSGPX-UHFFFAOYSA-N 1 2 283.332 -1.543 20 0 CAADLO COC[C@H](O)C[NH+]1CC(O)(CNC(=O)c2ccncn2)C1 ZINC001402365929 889234001 /nfs/dbraw/zinc/23/40/01/889234001.db2.gz SLMYKSSFXPXRTB-SNVBAGLBSA-N 1 2 296.327 -1.740 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(O)(CNC(=O)[C@@H]2CC23CC3)C1 ZINC001402362588 889233883 /nfs/dbraw/zinc/23/38/83/889233883.db2.gz QVTRQGRBTVPXPJ-QWRGUYRKSA-N 1 2 284.356 -1.043 20 0 CAADLO C[C@H](O)CCC[NH+]1CC(O)(CNC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001402360158 889234043 /nfs/dbraw/zinc/23/40/43/889234043.db2.gz XTEDFTMQFNLDOQ-AXFHLTTASA-N 1 2 299.371 -1.568 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(O)(CNC(=O)c2oncc2C)C1 ZINC001402363550 889234199 /nfs/dbraw/zinc/23/41/99/889234199.db2.gz ZHQAIYABUJIGTI-JTQLQIEISA-N 1 2 299.327 -1.233 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(O)(CNC(=O)c2nocc2C)C1 ZINC001402369155 889235860 /nfs/dbraw/zinc/23/58/60/889235860.db2.gz IXCVLYDZCZFKOE-JTQLQIEISA-N 1 2 299.327 -1.233 20 0 CAADLO Cn1nc(C(=O)NCC2(O)C[NH+](CCCF)C2)ccc1=O ZINC001402373038 889235903 /nfs/dbraw/zinc/23/59/03/889235903.db2.gz XYOAMWWUVAOBSZ-UHFFFAOYSA-N 1 2 298.318 -1.084 20 0 CAADLO CNC(=O)CN1CC(O)(CNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001402368018 889236841 /nfs/dbraw/zinc/23/68/41/889236841.db2.gz DKFVOTDEWJSYIT-UHFFFAOYSA-N 1 2 295.343 -1.830 20 0 CAADLO Cc1nonc1C(=O)NCC1(O)C[NH+](C[C@H](C)O)C1 ZINC001402383308 889238763 /nfs/dbraw/zinc/23/87/63/889238763.db2.gz NZEFRVFEZXMVHF-ZETCQYMHSA-N 1 2 270.289 -1.465 20 0 CAADLO C[C@@H](O)C[NH+]1CC(O)(CNC(=O)c2cnn3cc[nH]c23)C1 ZINC001402368571 889238776 /nfs/dbraw/zinc/23/87/76/889238776.db2.gz HHYZJSDGQIUGAM-SECBINFHSA-N 1 2 293.327 -1.180 20 0 CAADLO CNC(=O)NCC(=O)N[C@@]1(CO)CCC[N@H+](CCF)C1 ZINC001402448623 889239095 /nfs/dbraw/zinc/23/90/95/889239095.db2.gz LZYMQLNTPZOJKL-LBPRGKRZSA-N 1 2 290.339 -1.172 20 0 CAADLO CNC(=O)NCC(=O)N[C@@]1(CO)CCC[N@@H+](CCF)C1 ZINC001402448623 889239114 /nfs/dbraw/zinc/23/91/14/889239114.db2.gz LZYMQLNTPZOJKL-LBPRGKRZSA-N 1 2 290.339 -1.172 20 0 CAADLO COc1c(C(=O)NCC2(O)C[NH+](CCCO)C2)cnn1C ZINC001402376444 889239155 /nfs/dbraw/zinc/23/91/55/889239155.db2.gz UVIOBMFTRYTQAP-UHFFFAOYSA-N 1 2 298.343 -1.412 20 0 CAADLO CC(=O)NCC(=O)N[C@H]1C[C@H]([NH2+]Cc2nnn(C)n2)C1 ZINC001402462368 889241899 /nfs/dbraw/zinc/24/18/99/889241899.db2.gz CZIMILHMHLWHDT-KYZUINATSA-N 1 2 281.320 -1.917 20 0 CAADLO O=C(N[C@]1(CO)CCC[N@H+](CCF)C1)[C@H]1CNC(=O)N1 ZINC001402463647 889241983 /nfs/dbraw/zinc/24/19/83/889241983.db2.gz LBKMVHZRBDWFPQ-BXKDBHETSA-N 1 2 288.323 -1.420 20 0 CAADLO O=C(N[C@]1(CO)CCC[N@@H+](CCF)C1)[C@H]1CNC(=O)N1 ZINC001402463647 889241998 /nfs/dbraw/zinc/24/19/98/889241998.db2.gz LBKMVHZRBDWFPQ-BXKDBHETSA-N 1 2 288.323 -1.420 20 0 CAADLO O=C(CN1CCCC1=O)NC[C@H]1COCC[N@H+]1CCCO ZINC001402525037 889244865 /nfs/dbraw/zinc/24/48/65/889244865.db2.gz VEWWDTQJNNGAJV-LBPRGKRZSA-N 1 2 299.371 -1.192 20 0 CAADLO O=C(CN1CCCC1=O)NC[C@H]1COCC[N@@H+]1CCCO ZINC001402525037 889244882 /nfs/dbraw/zinc/24/48/82/889244882.db2.gz VEWWDTQJNNGAJV-LBPRGKRZSA-N 1 2 299.371 -1.192 20 0 CAADLO CC[N@@H+]1CCOC[C@H]1CNC(=O)CCS(=O)(=O)NC ZINC001402516526 889244974 /nfs/dbraw/zinc/24/49/74/889244974.db2.gz NRJWCFQLGSQCIG-SNVBAGLBSA-N 1 2 293.389 -1.237 20 0 CAADLO CC[N@H+]1CCOC[C@H]1CNC(=O)CCS(=O)(=O)NC ZINC001402516526 889244989 /nfs/dbraw/zinc/24/49/89/889244989.db2.gz NRJWCFQLGSQCIG-SNVBAGLBSA-N 1 2 293.389 -1.237 20 0 CAADLO Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]1COCCN1CC(N)=O ZINC001402539764 889245105 /nfs/dbraw/zinc/24/51/05/889245105.db2.gz WXYFHKQXFQQPMC-SNVBAGLBSA-N 1 2 295.343 -1.437 20 0 CAADLO NC(=O)CN1CCOC[C@@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001402524549 889246402 /nfs/dbraw/zinc/24/64/02/889246402.db2.gz LQKDVLWMEWMHNB-JTQLQIEISA-N 1 2 281.316 -1.815 20 0 CAADLO Cc1[nH+]c[nH]c1CC(=O)NC[C@H]1COCCN1CC(N)=O ZINC001402539361 889246750 /nfs/dbraw/zinc/24/67/50/889246750.db2.gz WXYFHKQXFQQPMC-JTQLQIEISA-N 1 2 295.343 -1.437 20 0 CAADLO CCNC(=O)CCC(=O)N[C@H]1COC2(C[NH+](CCO)C2)C1 ZINC001402704927 889260047 /nfs/dbraw/zinc/26/00/47/889260047.db2.gz QBAAFLIQKWSQDJ-LLVKDONJSA-N 1 2 299.371 -1.146 20 0 CAADLO CC(=O)NCC(=O)NC[C@@H](C)[NH2+]Cc1nc(N(C)C)no1 ZINC001402835066 889264332 /nfs/dbraw/zinc/26/43/32/889264332.db2.gz OAYLHDTZTYOOJL-MRVPVSSYSA-N 1 2 298.347 -1.134 20 0 CAADLO C[C@H](CNC(=O)Cn1ncnn1)[NH2+]Cc1csnn1 ZINC001402875282 889265886 /nfs/dbraw/zinc/26/58/86/889265886.db2.gz ADIAPVXLZITKIV-SSDOTTSWSA-N 1 2 282.333 -1.181 20 0 CAADLO CNC(=O)C[N@H+](C)CCNC(=O)CCS(=O)(=O)NC ZINC001403570151 889316370 /nfs/dbraw/zinc/31/63/70/889316370.db2.gz XQQCMATUDWWTGL-UHFFFAOYSA-N 1 2 294.377 -2.280 20 0 CAADLO CNC(=O)C[N@@H+](C)CCNC(=O)CCS(=O)(=O)NC ZINC001403570151 889316382 /nfs/dbraw/zinc/31/63/82/889316382.db2.gz XQQCMATUDWWTGL-UHFFFAOYSA-N 1 2 294.377 -2.280 20 0 CAADLO CCc1nnc(C[NH2+][C@@H](C)CNC(=O)Cn2cnnn2)o1 ZINC001402848081 889269627 /nfs/dbraw/zinc/26/96/27/889269627.db2.gz UCVLCGBGRNDSRV-QMMMGPOBSA-N 1 2 294.319 -1.087 20 0 CAADLO Cc1nnc(C[NH2+][C@@H](C)CNC(=O)Cn2ncnn2)o1 ZINC001402883584 889271810 /nfs/dbraw/zinc/27/18/10/889271810.db2.gz PSXDDOQLORHWPK-ZETCQYMHSA-N 1 2 280.292 -1.341 20 0 CAADLO CCO[C@H]1C[C@@H]1C(=O)NC1(CCO)C[NH+](CCO)C1 ZINC001403200876 889290344 /nfs/dbraw/zinc/29/03/44/889290344.db2.gz IBMDBMKPKUBKRB-QWRGUYRKSA-N 1 2 272.345 -1.043 20 0 CAADLO O=C(NC1(CCO)C[NH+](CCO)C1)c1ccc(=O)[nH]n1 ZINC001403204960 889290886 /nfs/dbraw/zinc/29/08/86/889290886.db2.gz NKZACNYCFCEGQX-UHFFFAOYSA-N 1 2 282.300 -1.659 20 0 CAADLO CCO[C@H]1C[C@H]1C(=O)NC1(CCO)C[NH+](CCO)C1 ZINC001403200871 889291127 /nfs/dbraw/zinc/29/11/27/889291127.db2.gz IBMDBMKPKUBKRB-MNOVXSKESA-N 1 2 272.345 -1.043 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(CCO)(NC(=O)c2ccn[nH]2)C1 ZINC001403222407 889293822 /nfs/dbraw/zinc/29/38/22/889293822.db2.gz REBVNGAUIYTWOA-JTQLQIEISA-N 1 2 298.343 -1.416 20 0 CAADLO C[C@H](C(=O)NC1(CCO)C[NH+](CCO)C1)[C@H]1CCC(=O)N1 ZINC001403228074 889295599 /nfs/dbraw/zinc/29/55/99/889295599.db2.gz UBPDLRSQAWYAMU-WDEREUQCSA-N 1 2 299.371 -1.554 20 0 CAADLO C[C@H](NC(N)=O)C(=O)N[C@@H]1C[N@H+](CC(N)=O)CC1(C)C ZINC001403354486 889296742 /nfs/dbraw/zinc/29/67/42/889296742.db2.gz GWKPNFMQIMOKHX-JGVFFNPUSA-N 1 2 285.348 -1.645 20 0 CAADLO C[C@H](NC(N)=O)C(=O)N[C@@H]1C[N@@H+](CC(N)=O)CC1(C)C ZINC001403354486 889296759 /nfs/dbraw/zinc/29/67/59/889296759.db2.gz GWKPNFMQIMOKHX-JGVFFNPUSA-N 1 2 285.348 -1.645 20 0 CAADLO C[C@@H](NC(=O)C[C@H]1CCN(C)C1=O)C1C[NH+](CC(N)=O)C1 ZINC001403314268 889296789 /nfs/dbraw/zinc/29/67/89/889296789.db2.gz DSKZZMCRHKRODW-NXEZZACHSA-N 1 2 296.371 -1.223 20 0 CAADLO C[C@@H](NC(=O)c1ccn[nH]1)C1C[NH+](CC(=O)NC(N)=O)C1 ZINC001403285056 889296907 /nfs/dbraw/zinc/29/69/07/889296907.db2.gz FXTJXOUWPGTRGS-SSDOTTSWSA-N 1 2 294.315 -1.345 20 0 CAADLO CC1(C)C[N@H+](CC(N)=O)C[C@H]1NC(=O)CNC(=O)C1CC1 ZINC001403354464 889297779 /nfs/dbraw/zinc/29/77/79/889297779.db2.gz DLLTVRORSMEFAU-SNVBAGLBSA-N 1 2 296.371 -1.176 20 0 CAADLO CC1(C)C[N@@H+](CC(N)=O)C[C@H]1NC(=O)CNC(=O)C1CC1 ZINC001403354464 889297800 /nfs/dbraw/zinc/29/78/00/889297800.db2.gz DLLTVRORSMEFAU-SNVBAGLBSA-N 1 2 296.371 -1.176 20 0 CAADLO CNC(=O)C[NH+]1CC([C@@H](C)NC(=O)C[C@@H]2CCNC2=O)C1 ZINC001403302233 889297853 /nfs/dbraw/zinc/29/78/53/889297853.db2.gz LZZSIAOTGKCPBI-ZJUUUORDSA-N 1 2 296.371 -1.305 20 0 CAADLO C[C@@H](NC(=O)CN1CCNC(=O)C1)C1C[NH+](CC(N)=O)C1 ZINC001403326667 889298693 /nfs/dbraw/zinc/29/86/93/889298693.db2.gz MXBJEQULCWZZTN-SECBINFHSA-N 1 2 297.359 -2.660 20 0 CAADLO C[C@H](NC(=O)CN1CCNC(=O)C1)C1C[NH+](CC(N)=O)C1 ZINC001403326679 889299434 /nfs/dbraw/zinc/29/94/34/889299434.db2.gz MXBJEQULCWZZTN-VIFPVBQESA-N 1 2 297.359 -2.660 20 0 CAADLO CNC(=O)C[NH+]1CC([C@@H](C)NC(=O)C[C@H]2CCNC2=O)C1 ZINC001403302222 889299466 /nfs/dbraw/zinc/29/94/66/889299466.db2.gz LZZSIAOTGKCPBI-NXEZZACHSA-N 1 2 296.371 -1.305 20 0 CAADLO CC(=O)NCC(=O)N[C@H](C)C1C[NH+](CC(=O)NC(N)=O)C1 ZINC001403301714 889299803 /nfs/dbraw/zinc/29/98/03/889299803.db2.gz SVNAWQMAOWECLQ-SSDOTTSWSA-N 1 2 299.331 -2.246 20 0 CAADLO C[C@H](NC(=O)CN(C)C(=O)C1CC1)C1C[NH+](CC(N)=O)C1 ZINC001403297915 889299880 /nfs/dbraw/zinc/29/98/80/889299880.db2.gz FNBOBDONUIDQPD-VIFPVBQESA-N 1 2 296.371 -1.223 20 0 CAADLO CNC(=O)C[NH+]1CC([C@H](C)NC(=O)[C@H](C)NC(C)=O)C1 ZINC001403307855 889300351 /nfs/dbraw/zinc/30/03/51/889300351.db2.gz SXWASMUWOYEUEW-IUCAKERBSA-N 1 2 284.360 -1.307 20 0 CAADLO C[C@H](NC(=O)CCc1nnc[nH]1)C1C[NH+](CC(N)=O)C1 ZINC001403305523 889300680 /nfs/dbraw/zinc/30/06/80/889300680.db2.gz XYASSWSJNXTKAE-QMMMGPOBSA-N 1 2 280.332 -1.341 20 0 CAADLO CCNC(=O)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3nc[nH]n3)[C@@H]2C1 ZINC001403425446 889302632 /nfs/dbraw/zinc/30/26/32/889302632.db2.gz QEANJKVHAPTFFT-OWUUHHOZSA-N 1 2 292.343 -1.152 20 0 CAADLO CCNC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3nc[nH]n3)[C@@H]2C1 ZINC001403425446 889302641 /nfs/dbraw/zinc/30/26/41/889302641.db2.gz QEANJKVHAPTFFT-OWUUHHOZSA-N 1 2 292.343 -1.152 20 0 CAADLO C[N@H+](CCNC(=O)CCn1cncn1)CC(=O)N1CCC1 ZINC001403513180 889306299 /nfs/dbraw/zinc/30/62/99/889306299.db2.gz YHQCPLCJKCMZAI-UHFFFAOYSA-N 1 2 294.359 -1.052 20 0 CAADLO C[N@@H+](CCNC(=O)CCn1cncn1)CC(=O)N1CCC1 ZINC001403513180 889306312 /nfs/dbraw/zinc/30/63/12/889306312.db2.gz YHQCPLCJKCMZAI-UHFFFAOYSA-N 1 2 294.359 -1.052 20 0 CAADLO C[N@H+](CCNC(=O)Cn1cnnn1)CC(=O)NCC1CC1 ZINC001403492008 889308545 /nfs/dbraw/zinc/30/85/45/889308545.db2.gz FWXLQMKIUVJISY-UHFFFAOYSA-N 1 2 295.347 -1.753 20 0 CAADLO C[N@@H+](CCNC(=O)Cn1cnnn1)CC(=O)NCC1CC1 ZINC001403492008 889308556 /nfs/dbraw/zinc/30/85/56/889308556.db2.gz FWXLQMKIUVJISY-UHFFFAOYSA-N 1 2 295.347 -1.753 20 0 CAADLO Cn1[nH]c(C[N@H+](C)CCNC(=O)Cn2cnnn2)nc1=O ZINC001403492091 889309158 /nfs/dbraw/zinc/30/91/58/889309158.db2.gz GITLUIPXRJUAIH-UHFFFAOYSA-N 1 2 295.307 -2.657 20 0 CAADLO Cn1[nH]c(C[N@@H+](C)CCNC(=O)Cn2cnnn2)nc1=O ZINC001403492091 889309166 /nfs/dbraw/zinc/30/91/66/889309166.db2.gz GITLUIPXRJUAIH-UHFFFAOYSA-N 1 2 295.307 -2.657 20 0 CAADLO CCNC(=O)C[N@H+](C)CCNC(=O)c1ccc(=O)[nH]n1 ZINC001403491367 889309626 /nfs/dbraw/zinc/30/96/26/889309626.db2.gz TVTQTBFXHFCEJU-UHFFFAOYSA-N 1 2 281.316 -1.020 20 0 CAADLO CCNC(=O)C[N@@H+](C)CCNC(=O)c1ccc(=O)[nH]n1 ZINC001403491367 889309635 /nfs/dbraw/zinc/30/96/35/889309635.db2.gz TVTQTBFXHFCEJU-UHFFFAOYSA-N 1 2 281.316 -1.020 20 0 CAADLO C[N@H+](CCNC(=O)CCn1ccnn1)CC(=O)NC1CC1 ZINC001403542706 889310838 /nfs/dbraw/zinc/31/08/38/889310838.db2.gz PWLYCOCBVUQJGH-UHFFFAOYSA-N 1 2 294.359 -1.005 20 0 CAADLO C[N@@H+](CCNC(=O)CCn1ccnn1)CC(=O)NC1CC1 ZINC001403542706 889310855 /nfs/dbraw/zinc/31/08/55/889310855.db2.gz PWLYCOCBVUQJGH-UHFFFAOYSA-N 1 2 294.359 -1.005 20 0 CAADLO COCC(=O)N(C)CC(=O)NCC[N@H+](C)CC(N)=O ZINC001403560509 889311377 /nfs/dbraw/zinc/31/13/77/889311377.db2.gz DWMSHAVPSQGKTI-UHFFFAOYSA-N 1 2 274.321 -2.376 20 0 CAADLO COCC(=O)N(C)CC(=O)NCC[N@@H+](C)CC(N)=O ZINC001403560509 889311393 /nfs/dbraw/zinc/31/13/93/889311393.db2.gz DWMSHAVPSQGKTI-UHFFFAOYSA-N 1 2 274.321 -2.376 20 0 CAADLO CNC(=O)C[N@H+](C)CCNC(=O)CN1CCOCC1 ZINC001403535228 889312141 /nfs/dbraw/zinc/31/21/41/889312141.db2.gz HZEMLWKDIWUPHB-UHFFFAOYSA-N 1 2 272.349 -1.887 20 0 CAADLO CNC(=O)C[N@@H+](C)CCNC(=O)CN1CCOCC1 ZINC001403535228 889312150 /nfs/dbraw/zinc/31/21/50/889312150.db2.gz HZEMLWKDIWUPHB-UHFFFAOYSA-N 1 2 272.349 -1.887 20 0 CAADLO Cn1nncc1C(=O)NCC[N@H+](C)CC(=O)N1CCC1 ZINC001403541876 889314377 /nfs/dbraw/zinc/31/43/77/889314377.db2.gz SCLVUIIGEOJEFQ-UHFFFAOYSA-N 1 2 280.332 -1.291 20 0 CAADLO Cn1nncc1C(=O)NCC[N@@H+](C)CC(=O)N1CCC1 ZINC001403541876 889314392 /nfs/dbraw/zinc/31/43/92/889314392.db2.gz SCLVUIIGEOJEFQ-UHFFFAOYSA-N 1 2 280.332 -1.291 20 0 CAADLO C[C@H](NC(N)=O)C(=O)NCC[N@H+](C)CC(=O)NCC1CC1 ZINC001403542901 889314998 /nfs/dbraw/zinc/31/49/98/889314998.db2.gz VICBZSQQEFWPNV-VIFPVBQESA-N 1 2 299.375 -1.383 20 0 CAADLO C[C@H](NC(N)=O)C(=O)NCC[N@@H+](C)CC(=O)NCC1CC1 ZINC001403542901 889315015 /nfs/dbraw/zinc/31/50/15/889315015.db2.gz VICBZSQQEFWPNV-VIFPVBQESA-N 1 2 299.375 -1.383 20 0 CAADLO CNC(=O)C[N@H+](C)CCNC(=O)c1ccn(C)c(=O)c1 ZINC001403605584 889316996 /nfs/dbraw/zinc/31/69/96/889316996.db2.gz IUFXYXPSCASYQN-UHFFFAOYSA-N 1 2 280.328 -1.207 20 0 CAADLO CNC(=O)C[N@@H+](C)CCNC(=O)c1ccn(C)c(=O)c1 ZINC001403605584 889317011 /nfs/dbraw/zinc/31/70/11/889317011.db2.gz IUFXYXPSCASYQN-UHFFFAOYSA-N 1 2 280.328 -1.207 20 0 CAADLO CC(=O)NC[C@H](CO)[NH2+]Cc1cc(=O)n2[nH]ccc2n1 ZINC001403618075 889320913 /nfs/dbraw/zinc/32/09/13/889320913.db2.gz GHCVEPRSIVTXRA-SNVBAGLBSA-N 1 2 279.300 -1.391 20 0 CAADLO CC(=O)NC[C@H](CO)[NH2+]Cc1nnnn1CC(F)(F)F ZINC001403630062 889321120 /nfs/dbraw/zinc/32/11/20/889321120.db2.gz YLVZPZDPFCGUQQ-SSDOTTSWSA-N 1 2 296.253 -1.178 20 0 CAADLO COCCC(=O)NC[C@@H](CO)[NH2+]Cc1ncnn1C ZINC001403623913 889321854 /nfs/dbraw/zinc/32/18/54/889321854.db2.gz NPJVCEQKZOUITF-VIFPVBQESA-N 1 2 271.321 -1.582 20 0 CAADLO CCC(=O)NC[C@H](CO)[NH2+]Cc1nnc2n1CCOC2 ZINC001403631198 889322210 /nfs/dbraw/zinc/32/22/10/889322210.db2.gz ZWKIJRBSOHTFKW-SECBINFHSA-N 1 2 283.332 -1.215 20 0 CAADLO CNC(=O)C[N@H+](C)CCNC(=O)c1ncc(OC)cn1 ZINC001403617010 889322620 /nfs/dbraw/zinc/32/26/20/889322620.db2.gz NEZLMESEFHDCRG-UHFFFAOYSA-N 1 2 281.316 -1.107 20 0 CAADLO CNC(=O)C[N@@H+](C)CCNC(=O)c1ncc(OC)cn1 ZINC001403617010 889322628 /nfs/dbraw/zinc/32/26/28/889322628.db2.gz NEZLMESEFHDCRG-UHFFFAOYSA-N 1 2 281.316 -1.107 20 0 CAADLO C[N@H+](CCNC(=O)CN1CCCNC1=O)CC(N)=O ZINC001403617748 889323854 /nfs/dbraw/zinc/32/38/54/889323854.db2.gz MBVLSYOCAXYQOQ-UHFFFAOYSA-N 1 2 271.321 -2.065 20 0 CAADLO C[N@@H+](CCNC(=O)CN1CCCNC1=O)CC(N)=O ZINC001403617748 889323864 /nfs/dbraw/zinc/32/38/64/889323864.db2.gz MBVLSYOCAXYQOQ-UHFFFAOYSA-N 1 2 271.321 -2.065 20 0 CAADLO Cn1ncc(C[NH2+][C@@H](CO)CNC(=O)c2ccn[nH]2)n1 ZINC001403638672 889326611 /nfs/dbraw/zinc/32/66/11/889326611.db2.gz AEKCHSRDEBHMCJ-SECBINFHSA-N 1 2 279.304 -1.581 20 0 CAADLO Cn1ncc(C[NH2+][C@H](CO)CNC(=O)c2cncnc2)n1 ZINC001403639204 889327819 /nfs/dbraw/zinc/32/78/19/889327819.db2.gz GQDKLEMHEFHBCI-NSHDSACASA-N 1 2 291.315 -1.514 20 0 CAADLO Cc1c(C(=O)NC[C@H](CO)[NH2+]Cc2ccon2)nnn1C ZINC001403641477 889327961 /nfs/dbraw/zinc/32/79/61/889327961.db2.gz CABZDPWFPOPMKA-SNVBAGLBSA-N 1 2 294.315 -1.008 20 0 CAADLO Cn1ncnc1C[NH2+][C@H](CO)CNC(=O)c1cncnc1 ZINC001403645178 889328651 /nfs/dbraw/zinc/32/86/51/889328651.db2.gz LVISDVKRNSZWMH-JTQLQIEISA-N 1 2 291.315 -1.514 20 0 CAADLO Cn1ncnc1C[NH2+][C@H](CO)CNC(=O)Cc1ccon1 ZINC001403647690 889330602 /nfs/dbraw/zinc/33/06/02/889330602.db2.gz JLEWFULZEZRFGK-JTQLQIEISA-N 1 2 294.315 -1.388 20 0 CAADLO Cn1ncnc1C[NH2+][C@@H](CO)CNC(=O)Cc1ccon1 ZINC001403647694 889330858 /nfs/dbraw/zinc/33/08/58/889330858.db2.gz JLEWFULZEZRFGK-SNVBAGLBSA-N 1 2 294.315 -1.388 20 0 CAADLO Cn1nnnc1C[NH2+][C@H](CO)CNC(=O)C1CCOCC1 ZINC001403651872 889330928 /nfs/dbraw/zinc/33/09/28/889330928.db2.gz OPRLTGRRKNLKOU-JTQLQIEISA-N 1 2 298.347 -1.797 20 0 CAADLO CCn1ncc(C[NH2+][C@H](CO)CNC(=O)c2ncc[nH]2)n1 ZINC001403651838 889331224 /nfs/dbraw/zinc/33/12/24/889331224.db2.gz HLWGUXUKXHRTGY-JTQLQIEISA-N 1 2 293.331 -1.098 20 0 CAADLO Cn1cnnc1C[NH2+][C@@H](CO)CNC(=O)C1=COCCO1 ZINC001403654170 889331271 /nfs/dbraw/zinc/33/12/71/889331271.db2.gz QNNNKJCIXRNZDG-SECBINFHSA-N 1 2 297.315 -1.730 20 0 CAADLO CCO[C@H](C)C(=O)NC[C@H](CO)[NH2+]Cc1nnnn1C ZINC001403652499 889332836 /nfs/dbraw/zinc/33/28/36/889332836.db2.gz NBYIBLSCMIPNTI-RKDXNWHRSA-N 1 2 286.336 -1.798 20 0 CAADLO Cn1ncc(C[NH2+][C@H](CO)CNC(=O)[C@H]2CCCO2)n1 ZINC001403655345 889333780 /nfs/dbraw/zinc/33/37/80/889333780.db2.gz RVPSTGNDPUHUAF-WDEREUQCSA-N 1 2 283.332 -1.439 20 0 CAADLO Cc1nonc1C[NH2+][C@H](CO)CNC(=O)c1cnnn1C ZINC001403659365 889335509 /nfs/dbraw/zinc/33/55/09/889335509.db2.gz FMSOHIXCWUAYBB-QMMMGPOBSA-N 1 2 295.303 -1.613 20 0 CAADLO Cn1ncc(C[NH2+][C@@H](CO)CNC(=O)[C@@H]2CCCO2)n1 ZINC001403655330 889336237 /nfs/dbraw/zinc/33/62/37/889336237.db2.gz RVPSTGNDPUHUAF-MNOVXSKESA-N 1 2 283.332 -1.439 20 0 CAADLO CCn1cc(C[NH2+][C@@H](CO)CNC(=O)c2ncc[nH]2)nn1 ZINC001403663975 889336823 /nfs/dbraw/zinc/33/68/23/889336823.db2.gz UGWREVYAZHTZRH-SNVBAGLBSA-N 1 2 293.331 -1.098 20 0 CAADLO Cc1nonc1C[NH2+][C@H](CO)CNC(=O)[C@H]1CCOC1 ZINC001403662340 889336844 /nfs/dbraw/zinc/33/68/44/889336844.db2.gz ZVCNHXIYLDRYDR-UWVGGRQHSA-N 1 2 284.316 -1.019 20 0 CAADLO Cc1nonc1C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCOC1 ZINC001403662336 889337573 /nfs/dbraw/zinc/33/75/73/889337573.db2.gz ZVCNHXIYLDRYDR-NXEZZACHSA-N 1 2 284.316 -1.019 20 0 CAADLO COC[C@H](C)C(=O)NC[C@@H](CO)[NH2+]Cc1nnnn1C ZINC001403670291 889338417 /nfs/dbraw/zinc/33/84/17/889338417.db2.gz DLJJEZOHANZWIG-IUCAKERBSA-N 1 2 286.336 -1.941 20 0 CAADLO CCCNC(=O)C[N@H+](C)CCNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001403669973 889339452 /nfs/dbraw/zinc/33/94/52/889339452.db2.gz ZUUPURNHMFNSCY-SNVBAGLBSA-N 1 2 299.375 -1.416 20 0 CAADLO CCCNC(=O)C[N@@H+](C)CCNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001403669973 889339461 /nfs/dbraw/zinc/33/94/61/889339461.db2.gz ZUUPURNHMFNSCY-SNVBAGLBSA-N 1 2 299.375 -1.416 20 0 CAADLO CCO[C@@H](C)C(=O)NC[C@@H](CO)[NH2+]Cc1cn(C)nn1 ZINC001403665176 889339482 /nfs/dbraw/zinc/33/94/82/889339482.db2.gz WZFPDTUDMRYSBH-ONGXEEELSA-N 1 2 285.348 -1.193 20 0 CAADLO Cn1nnnc1C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCCOC1 ZINC001403670869 889339635 /nfs/dbraw/zinc/33/96/35/889339635.db2.gz DYSVTSVCNQKJQW-NXEZZACHSA-N 1 2 298.347 -1.797 20 0 CAADLO CCO[C@@H](C)C(=O)NC[C@H](CO)[NH2+]Cc1cn(C)nn1 ZINC001403665168 889339858 /nfs/dbraw/zinc/33/98/58/889339858.db2.gz WZFPDTUDMRYSBH-GXSJLCMTSA-N 1 2 285.348 -1.193 20 0 CAADLO CNC(=O)NCCC(=O)NC[C@H](CO)[NH2+]Cc1ccon1 ZINC001403669669 889340746 /nfs/dbraw/zinc/34/07/46/889340746.db2.gz ZGNMSDDHSDYVIP-SNVBAGLBSA-N 1 2 299.331 -1.440 20 0 CAADLO COC[C@@H](C)C(=O)NC[C@H](CO)[NH2+]Cc1nnnn1C ZINC001403670307 889341792 /nfs/dbraw/zinc/34/17/92/889341792.db2.gz DLJJEZOHANZWIG-RKDXNWHRSA-N 1 2 286.336 -1.941 20 0 CAADLO C[C@@H]([NH2+][C@H](CO)CNC(=O)c1cc[nH]c1)c1nnnn1C ZINC001403665616 889341876 /nfs/dbraw/zinc/34/18/76/889341876.db2.gz JEESFSKFNLMOLR-SCZZXKLOSA-N 1 2 293.331 -1.020 20 0 CAADLO Cn1nnnc1C[NH2+][C@@H](CO)CNC(=O)[C@H]1CCCOC1 ZINC001403670893 889341967 /nfs/dbraw/zinc/34/19/67/889341967.db2.gz DYSVTSVCNQKJQW-VHSXEESVSA-N 1 2 298.347 -1.797 20 0 CAADLO CC(=O)N1CC(C(=O)NC[C@@H](CO)[NH2+]Cc2ccon2)C1 ZINC001403681814 889342529 /nfs/dbraw/zinc/34/25/29/889342529.db2.gz WXTVEFFQZQHMAE-LBPRGKRZSA-N 1 2 296.327 -1.280 20 0 CAADLO Cn1cnnc1C[NH2+][C@@H](CO)CNC(=O)[C@]12C[C@H]1COC2 ZINC001403676405 889342563 /nfs/dbraw/zinc/34/25/63/889342563.db2.gz RCONMCUWBUSSRG-CWSCBRNRSA-N 1 2 295.343 -1.582 20 0 CAADLO Cn1[nH]c(C[N@H+](C)CCNC(=O)[C@@H]2CNC(=O)N2)nc1=O ZINC001403677709 889344864 /nfs/dbraw/zinc/34/48/64/889344864.db2.gz XDNSGOARNDFQLC-ZETCQYMHSA-N 1 2 297.319 -2.662 20 0 CAADLO Cn1[nH]c(C[N@@H+](C)CCNC(=O)[C@@H]2CNC(=O)N2)nc1=O ZINC001403677709 889344878 /nfs/dbraw/zinc/34/48/78/889344878.db2.gz XDNSGOARNDFQLC-ZETCQYMHSA-N 1 2 297.319 -2.662 20 0 CAADLO Cn1cnnc1C[NH2+][C@H](CO)CNC(=O)c1csnn1 ZINC001403686025 889346784 /nfs/dbraw/zinc/34/67/84/889346784.db2.gz AIPIWEBYNGFLPV-ZETCQYMHSA-N 1 2 297.344 -1.453 20 0 CAADLO COC[C@H](C)C(=O)NC[C@@H](CO)[NH2+]Cc1cn(C)nn1 ZINC001403693105 889348353 /nfs/dbraw/zinc/34/83/53/889348353.db2.gz ZTHPKQPLUVXXCO-ONGXEEELSA-N 1 2 285.348 -1.336 20 0 CAADLO CCn1ncnc1C[NH2+][C@H](CO)CNC(=O)c1cnon1 ZINC001403703224 889351585 /nfs/dbraw/zinc/35/15/85/889351585.db2.gz KAJYUMDNKUIFJS-QMMMGPOBSA-N 1 2 295.303 -1.439 20 0 CAADLO CCn1ncnc1C[NH2+][C@@H](CO)CNC(=O)c1cnon1 ZINC001403703222 889351736 /nfs/dbraw/zinc/35/17/36/889351736.db2.gz KAJYUMDNKUIFJS-MRVPVSSYSA-N 1 2 295.303 -1.439 20 0 CAADLO C[C@@H]([NH2+][C@@H](CO)CNC(=O)c1cnco1)c1nnnn1C ZINC001403700080 889352144 /nfs/dbraw/zinc/35/21/44/889352144.db2.gz RCMQEMVYPVMEMZ-HTQZYQBOSA-N 1 2 295.303 -1.360 20 0 CAADLO Cn1cc(C[NH2+][C@@H](CO)CNC(=O)c2ccncn2)nn1 ZINC001403704326 889352526 /nfs/dbraw/zinc/35/25/26/889352526.db2.gz KSAKTMYUNPSDQO-SNVBAGLBSA-N 1 2 291.315 -1.514 20 0 CAADLO Cc1c[nH]c(C(=O)NC[C@H](CO)[NH2+]Cc2nncn2C)n1 ZINC001403699937 889353378 /nfs/dbraw/zinc/35/33/78/889353378.db2.gz FXNYSMBNALCYED-SECBINFHSA-N 1 2 293.331 -1.273 20 0 CAADLO CN1C(=O)CC[C@@H]1C(=O)NC[C@H](CO)[NH2+]Cc1ccon1 ZINC001403715653 889356774 /nfs/dbraw/zinc/35/67/74/889356774.db2.gz WSTDGILJSLKEJM-GHMZBOCLSA-N 1 2 296.327 -1.138 20 0 CAADLO Cc1ncc(C[NH2+][C@@H](CO)CNC(=O)c2ncn[nH]2)cn1 ZINC001403710788 889356813 /nfs/dbraw/zinc/35/68/13/889356813.db2.gz SCLLDEISVBQOBB-SNVBAGLBSA-N 1 2 291.315 -1.216 20 0 CAADLO Cc1ncc(C[NH2+][C@@H](CO)CNC(=O)c2nc[nH]n2)cn1 ZINC001403710788 889356829 /nfs/dbraw/zinc/35/68/29/889356829.db2.gz SCLLDEISVBQOBB-SNVBAGLBSA-N 1 2 291.315 -1.216 20 0 CAADLO Cc1nnc(C[NH2+][C@@H](CO)CNC(=O)c2ncccn2)[nH]1 ZINC001403709807 889358706 /nfs/dbraw/zinc/35/87/06/889358706.db2.gz DRDVQANQDOPTOP-SECBINFHSA-N 1 2 291.315 -1.216 20 0 CAADLO O=C(NC[C@@H](CO)[NH2+]Cc1ccon1)[C@@H]1CCC(=O)N1 ZINC001403732421 889361121 /nfs/dbraw/zinc/36/11/21/889361121.db2.gz URFWDJQIKIMVHG-UWVGGRQHSA-N 1 2 282.300 -1.480 20 0 CAADLO C[C@H](CC(N)=O)C(=O)NC[C@H](CO)[NH2+]Cc1ncnn1C ZINC001403728655 889361945 /nfs/dbraw/zinc/36/19/45/889361945.db2.gz ZQTBHZTXTDFIAO-RKDXNWHRSA-N 1 2 298.347 -2.107 20 0 CAADLO CNC(=O)C[N@@H+](C)CCNC(=O)[C@H]1CCCN1C(C)=O ZINC001403799697 889365590 /nfs/dbraw/zinc/36/55/90/889365590.db2.gz ZAJFYNLVKIMHAH-LLVKDONJSA-N 1 2 284.360 -1.209 20 0 CAADLO Cn1cc(C[NH2+][C@H](CO)CNC(=O)Cc2ccc[nH]2)nn1 ZINC001403746826 889365363 /nfs/dbraw/zinc/36/53/63/889365363.db2.gz UKJJCUTWNXFWCY-LBPRGKRZSA-N 1 2 292.343 -1.047 20 0 CAADLO CNC(=O)C[N@H+](C)CCNC(=O)[C@H]1CCCN1C(C)=O ZINC001403799697 889365578 /nfs/dbraw/zinc/36/55/78/889365578.db2.gz ZAJFYNLVKIMHAH-LLVKDONJSA-N 1 2 284.360 -1.209 20 0 CAADLO C[N@H+](CCNC(=O)CC[C@]1(C)CCC(=O)N1)CC(N)=O ZINC001403804284 889366726 /nfs/dbraw/zinc/36/67/26/889366726.db2.gz XLYXNKKDOMWIJS-CYBMUJFWSA-N 1 2 284.360 -1.031 20 0 CAADLO C[N@@H+](CCNC(=O)CC[C@]1(C)CCC(=O)N1)CC(N)=O ZINC001403804284 889366732 /nfs/dbraw/zinc/36/67/32/889366732.db2.gz XLYXNKKDOMWIJS-CYBMUJFWSA-N 1 2 284.360 -1.031 20 0 CAADLO CNC(=O)C[N@H+](CCNC(=O)c1ncccn1)CCOC ZINC001403974353 889388827 /nfs/dbraw/zinc/38/88/27/889388827.db2.gz ZUEYAFYWWCCSPD-UHFFFAOYSA-N 1 2 295.343 -1.099 20 0 CAADLO CNC(=O)C[N@@H+](CCNC(=O)c1ncccn1)CCOC ZINC001403974353 889388837 /nfs/dbraw/zinc/38/88/37/889388837.db2.gz ZUEYAFYWWCCSPD-UHFFFAOYSA-N 1 2 295.343 -1.099 20 0 CAADLO CC(C)N(CC[N@H+](C)CC(N)=O)C(=O)[C@H](C)NC(N)=O ZINC001403931582 889390325 /nfs/dbraw/zinc/39/03/25/889390325.db2.gz HHHSAQDKEWUVDM-VIFPVBQESA-N 1 2 287.364 -1.303 20 0 CAADLO CC(C)N(CC[N@@H+](C)CC(N)=O)C(=O)[C@H](C)NC(N)=O ZINC001403931582 889390331 /nfs/dbraw/zinc/39/03/31/889390331.db2.gz HHHSAQDKEWUVDM-VIFPVBQESA-N 1 2 287.364 -1.303 20 0 CAADLO CNC(=O)C[N@H+](CCNC(=O)c1cnnn1C)CCOC ZINC001403951283 889390770 /nfs/dbraw/zinc/39/07/70/889390770.db2.gz BMHICSOLZIJITJ-UHFFFAOYSA-N 1 2 298.347 -1.761 20 0 CAADLO CNC(=O)C[N@@H+](CCNC(=O)c1cnnn1C)CCOC ZINC001403951283 889390781 /nfs/dbraw/zinc/39/07/81/889390781.db2.gz BMHICSOLZIJITJ-UHFFFAOYSA-N 1 2 298.347 -1.761 20 0 CAADLO C[C@@]1(C(=O)NC[C@@H]2CCC[N@@H+]2CC(N)=O)CCC(=O)NC1 ZINC001403997136 889396038 /nfs/dbraw/zinc/39/60/38/889396038.db2.gz IMOGCXRGPHDJJO-IINYFYTJSA-N 1 2 296.371 -1.031 20 0 CAADLO C[C@@]1(C(=O)NC[C@@H]2CCC[N@H+]2CC(N)=O)CCC(=O)NC1 ZINC001403997136 889396077 /nfs/dbraw/zinc/39/60/77/889396077.db2.gz IMOGCXRGPHDJJO-IINYFYTJSA-N 1 2 296.371 -1.031 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](CNC(=O)CCc2cnn[nH]2)C1 ZINC001404082431 889396895 /nfs/dbraw/zinc/39/68/95/889396895.db2.gz OGSNHXHLCGGHCY-SNVBAGLBSA-N 1 2 294.359 -1.079 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](CNC(=O)CCc2cnn[nH]2)C1 ZINC001404082431 889396913 /nfs/dbraw/zinc/39/69/13/889396913.db2.gz OGSNHXHLCGGHCY-SNVBAGLBSA-N 1 2 294.359 -1.079 20 0 CAADLO C[C@@]1(C(=O)NC[C@H]2CCC[N@@H+]2CC(N)=O)CCC(=O)NC1 ZINC001403997139 889397599 /nfs/dbraw/zinc/39/75/99/889397599.db2.gz IMOGCXRGPHDJJO-QMTHXVAHSA-N 1 2 296.371 -1.031 20 0 CAADLO C[C@@]1(C(=O)NC[C@H]2CCC[N@H+]2CC(N)=O)CCC(=O)NC1 ZINC001403997139 889397604 /nfs/dbraw/zinc/39/76/04/889397604.db2.gz IMOGCXRGPHDJJO-QMTHXVAHSA-N 1 2 296.371 -1.031 20 0 CAADLO CC(=O)NC(C)(C)C(=O)NC[C@@H]1CCC[N@@H+]1CC(N)=O ZINC001404007487 889398675 /nfs/dbraw/zinc/39/86/75/889398675.db2.gz LRUUZWNWTVIOSV-JTQLQIEISA-N 1 2 284.360 -1.033 20 0 CAADLO CC(=O)NC(C)(C)C(=O)NC[C@@H]1CCC[N@H+]1CC(N)=O ZINC001404007487 889398689 /nfs/dbraw/zinc/39/86/89/889398689.db2.gz LRUUZWNWTVIOSV-JTQLQIEISA-N 1 2 284.360 -1.033 20 0 CAADLO COCC(=O)N(C)CC[NH+]1CCN(CC(N)=O)CC1 ZINC001404549811 889407652 /nfs/dbraw/zinc/40/76/52/889407652.db2.gz ZIJTXBKFMBDKFZ-UHFFFAOYSA-N 1 2 272.349 -1.806 20 0 CAADLO CCCN(C(=O)CNC(=O)NC)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001404451269 889408917 /nfs/dbraw/zinc/40/89/17/889408917.db2.gz PRUCFDPUDFJOAB-SNVBAGLBSA-N 1 2 299.375 -1.286 20 0 CAADLO CCCN(C(=O)CNC(=O)NC)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001404451269 889408933 /nfs/dbraw/zinc/40/89/33/889408933.db2.gz PRUCFDPUDFJOAB-SNVBAGLBSA-N 1 2 299.375 -1.286 20 0 CAADLO CN(CC[NH+]1CCN(CC(N)=O)CC1)C(=O)[C@H]1CCOC1 ZINC001404544545 889409707 /nfs/dbraw/zinc/40/97/07/889409707.db2.gz YSXSVPCAIYTBJT-LBPRGKRZSA-N 1 2 298.387 -1.416 20 0 CAADLO C[C@@H](O)C[NH+]1CC(NC(=O)CCCS(N)(=O)=O)C1 ZINC001404801639 889414339 /nfs/dbraw/zinc/41/43/39/889414339.db2.gz AZKDVNVGSRWFRG-MRVPVSSYSA-N 1 2 279.362 -1.764 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(NC(=O)CCn2ccnn2)C1 ZINC001404768503 889414451 /nfs/dbraw/zinc/41/44/51/889414451.db2.gz JTCMIBYPFNQJAI-NSHDSACASA-N 1 2 283.332 -1.524 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(NC(=O)C[C@@H]2CCNC2=O)C1 ZINC001404767498 889415296 /nfs/dbraw/zinc/41/52/96/889415296.db2.gz HJJBABVCOXWQSI-ONGXEEELSA-N 1 2 285.344 -1.680 20 0 CAADLO COC[C@H](O)C[NH+]1CC(NC(=O)CO[C@H]2CCOC2)C1 ZINC001404761890 889415365 /nfs/dbraw/zinc/41/53/65/889415365.db2.gz AEMTUKVQQXCHIW-NEPJUHHUSA-N 1 2 288.344 -1.400 20 0 CAADLO COC[C@H](O)C[NH+]1CC(NC(=O)c2ccn(C)c(=O)c2)C1 ZINC001404791039 889416056 /nfs/dbraw/zinc/41/60/56/889416056.db2.gz WOCKCLWRVAVLTR-GFCCVEGCSA-N 1 2 295.339 -1.193 20 0 CAADLO CNC(=O)NC(=O)C[NH+]1CC(CNC(=O)[C@@H]2CCCO2)C1 ZINC001404857921 889416978 /nfs/dbraw/zinc/41/69/78/889416978.db2.gz ZMTFKWROOZNECO-JTQLQIEISA-N 1 2 298.343 -1.331 20 0 CAADLO CC(C)NC(=O)C[NH+]1CC(CNC(=O)Cn2cnnn2)C1 ZINC001404847848 889417075 /nfs/dbraw/zinc/41/70/75/889417075.db2.gz CETQNMDJUKSMDB-UHFFFAOYSA-N 1 2 295.347 -1.754 20 0 CAADLO Cc1nnc(CC(=O)NCC2C[NH+]([C@@H](C)C(N)=O)C2)[nH]1 ZINC001404870563 889417110 /nfs/dbraw/zinc/41/71/10/889417110.db2.gz RWEWXUYWFCODDV-ZETCQYMHSA-N 1 2 280.332 -1.423 20 0 CAADLO CN(C)C(=O)C[NH+]1CC(CNC(=O)Cn2ncnn2)C1 ZINC001404870675 889417192 /nfs/dbraw/zinc/41/71/92/889417192.db2.gz HXBSFBUNMNSDKE-UHFFFAOYSA-N 1 2 281.320 -2.191 20 0 CAADLO CCNC(=O)C[NH+]1CC(CNC(=O)[C@H]2CCNC(=O)C2)C1 ZINC001404860793 889417268 /nfs/dbraw/zinc/41/72/68/889417268.db2.gz AJEBXNGCSBSAHA-NSHDSACASA-N 1 2 296.371 -1.303 20 0 CAADLO NC(=O)NC(=O)C[NH+]1CC(CNC(=O)CC2(O)CCC2)C1 ZINC001404868870 889417317 /nfs/dbraw/zinc/41/73/17/889417317.db2.gz PZPVIROSJPMIPC-UHFFFAOYSA-N 1 2 298.343 -1.466 20 0 CAADLO O=C(CCC(=O)N1CCOCC1)NC1C[NH+](CCO)C1 ZINC001404845834 889417752 /nfs/dbraw/zinc/41/77/52/889417752.db2.gz UCJIBPFYTZKUII-UHFFFAOYSA-N 1 2 285.344 -1.582 20 0 CAADLO CNC(=O)NC(=O)C[NH+]1CC(CNC(=O)c2ccn[nH]2)C1 ZINC001404851612 889417793 /nfs/dbraw/zinc/41/77/93/889417793.db2.gz DOCNLXOECKJODL-UHFFFAOYSA-N 1 2 294.315 -1.473 20 0 CAADLO Cc1nnc(CC(=O)NCC2C[NH+]([C@H](C)C(N)=O)C2)[nH]1 ZINC001404870562 889418542 /nfs/dbraw/zinc/41/85/42/889418542.db2.gz RWEWXUYWFCODDV-SSDOTTSWSA-N 1 2 280.332 -1.423 20 0 CAADLO COC[C@H](O)C[NH+]1CC(NC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001404811279 889418786 /nfs/dbraw/zinc/41/87/86/889418786.db2.gz IHSUGGNPFOAFPW-BBBLOLIVSA-N 1 2 271.317 -2.085 20 0 CAADLO C[C@H](C(=O)NC(N)=O)[NH+]1CC(CNC(=O)c2ccon2)C1 ZINC001404853928 889418806 /nfs/dbraw/zinc/41/88/06/889418806.db2.gz HLLRJEZBIMHBBR-SSDOTTSWSA-N 1 2 295.299 -1.080 20 0 CAADLO CNC(=O)C[NH+]1CC(CNC(=O)Cn2cc(C)cn2)C1 ZINC001404852000 889418906 /nfs/dbraw/zinc/41/89/06/889418906.db2.gz GFGJPJBHZPAXLL-UHFFFAOYSA-N 1 2 279.344 -1.014 20 0 CAADLO NC(=O)NC(=O)C[NH+]1CC(CNC(=O)c2ccncc2)C1 ZINC001404851510 889418983 /nfs/dbraw/zinc/41/89/83/889418983.db2.gz GLCMHZADRQNNQY-UHFFFAOYSA-N 1 2 291.311 -1.062 20 0 CAADLO CCCC(=O)NCC1C[NH+](CC(=O)N2CCNC(=O)C2)C1 ZINC001404856410 889419026 /nfs/dbraw/zinc/41/90/26/889419026.db2.gz RDXMDIFAEIWMSX-UHFFFAOYSA-N 1 2 296.371 -1.207 20 0 CAADLO C[C@H](O)C[NH+]1CC(NC(=O)CNC(=O)c2ccccn2)C1 ZINC001404843235 889419057 /nfs/dbraw/zinc/41/90/57/889419057.db2.gz MDRGKBNELKGECE-JTQLQIEISA-N 1 2 292.339 -1.007 20 0 CAADLO CCS(=O)(=O)CC(=O)NCC1C[NH+](CCCO)C1 ZINC001404946500 889420820 /nfs/dbraw/zinc/42/08/20/889420820.db2.gz LCQQXVAWRWXCHG-UHFFFAOYSA-N 1 2 278.374 -1.149 20 0 CAADLO COCC1(C(=O)NCC2C[NH+](CC(=O)NC(N)=O)C2)CC1 ZINC001404891728 889421153 /nfs/dbraw/zinc/42/11/53/889421153.db2.gz RREXRBPTOIHCEE-UHFFFAOYSA-N 1 2 298.343 -1.344 20 0 CAADLO CCNC(=O)C[NH+]1CC(CNC(=O)[C@@H](C)CC(N)=O)C1 ZINC001404906089 889421308 /nfs/dbraw/zinc/42/13/08/889421308.db2.gz WQAQHJULSZYRRQ-VIFPVBQESA-N 1 2 284.360 -1.318 20 0 CAADLO O=C(CN1CCC(=O)NC1=O)NCC1C[NH+](CCF)C1 ZINC001404940139 889421806 /nfs/dbraw/zinc/42/18/06/889421806.db2.gz VMQDWRQEFJRVKI-UHFFFAOYSA-N 1 2 286.307 -1.054 20 0 CAADLO CC[C@H](F)C(=O)NCC1C[NH+](CC(=O)NC(N)=O)C1 ZINC001404907282 889421831 /nfs/dbraw/zinc/42/18/31/889421831.db2.gz CRDDRXLVELKOOC-QMMMGPOBSA-N 1 2 274.296 -1.023 20 0 CAADLO CNC(=O)NCCC(=O)NCC1C[NH+]([C@@H]2CCNC2=O)C1 ZINC001404873279 889421889 /nfs/dbraw/zinc/42/18/89/889421889.db2.gz ZEIWQRUFKAFDHD-SNVBAGLBSA-N 1 2 297.359 -1.758 20 0 CAADLO CNC(=O)C[NH+]1CC(CNC(=O)Cc2nonc2C)C1 ZINC001404925387 889421971 /nfs/dbraw/zinc/42/19/71/889421971.db2.gz XUFFZRFTJMWJAL-UHFFFAOYSA-N 1 2 281.316 -1.285 20 0 CAADLO CC[C@@H](F)C(=O)NCC1C[NH+](CC(=O)NC(N)=O)C1 ZINC001404907279 889421981 /nfs/dbraw/zinc/42/19/81/889421981.db2.gz CRDDRXLVELKOOC-MRVPVSSYSA-N 1 2 274.296 -1.023 20 0 CAADLO CC[C@H](C(=O)NCC1C[NH+](CC(N)=O)C1)N1CCCC1=O ZINC001404927251 889422097 /nfs/dbraw/zinc/42/20/97/889422097.db2.gz HIDFVGDJJACIIZ-LLVKDONJSA-N 1 2 296.371 -1.079 20 0 CAADLO CCNC(=O)C[NH+]1CC(CNC(=O)[C@]2(C)CCC(=O)N2)C1 ZINC001404904979 889422160 /nfs/dbraw/zinc/42/21/60/889422160.db2.gz JWNAAMRDIBZQBI-AWEZNQCLSA-N 1 2 296.371 -1.161 20 0 CAADLO CNC(=O)C[NH+]1CC(CNC(=O)C(C)(C)NC(C)=O)C1 ZINC001404914740 889422302 /nfs/dbraw/zinc/42/23/02/889422302.db2.gz ZOJOMGVAEAVLIG-UHFFFAOYSA-N 1 2 284.360 -1.305 20 0 CAADLO C[C@H](C(N)=O)[NH+]1CC(CNC(=O)C[C@H]2CCC(=O)N2)C1 ZINC001404907838 889422364 /nfs/dbraw/zinc/42/23/64/889422364.db2.gz FSEQYYXPWZVZEJ-PSASIEDQSA-N 1 2 282.344 -1.423 20 0 CAADLO C[C@@H](C(N)=O)[NH+]1CC(CNC(=O)C[C@@H]2CCC(=O)N2)C1 ZINC001404907843 889422687 /nfs/dbraw/zinc/42/26/87/889422687.db2.gz FSEQYYXPWZVZEJ-WPRPVWTQSA-N 1 2 282.344 -1.423 20 0 CAADLO CC(=O)NCC(=O)N[C@H]1CC[N@@H+](Cc2cnnn2C)C1 ZINC001404986194 889424418 /nfs/dbraw/zinc/42/44/18/889424418.db2.gz QOXPKJZBJLUQNL-JTQLQIEISA-N 1 2 280.332 -1.358 20 0 CAADLO CC(=O)NCC(=O)N[C@H]1CC[N@H+](Cc2cnnn2C)C1 ZINC001404986194 889424425 /nfs/dbraw/zinc/42/44/25/889424425.db2.gz QOXPKJZBJLUQNL-JTQLQIEISA-N 1 2 280.332 -1.358 20 0 CAADLO CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC(=O)N2C)C1 ZINC001405016618 889424674 /nfs/dbraw/zinc/42/46/74/889424674.db2.gz MNTOQUAXDOKEFG-WDEREUQCSA-N 1 2 296.371 -1.066 20 0 CAADLO CCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCC(=O)N2C)C1 ZINC001405016618 889424681 /nfs/dbraw/zinc/42/46/81/889424681.db2.gz MNTOQUAXDOKEFG-WDEREUQCSA-N 1 2 296.371 -1.066 20 0 CAADLO COC(=O)NCC(=O)N(C)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001405087468 889426281 /nfs/dbraw/zinc/42/62/81/889426281.db2.gz JHKGDMJXHYQBRE-QMMMGPOBSA-N 1 2 272.305 -1.640 20 0 CAADLO COC(=O)NCC(=O)N(C)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001405087468 889426287 /nfs/dbraw/zinc/42/62/87/889426287.db2.gz JHKGDMJXHYQBRE-QMMMGPOBSA-N 1 2 272.305 -1.640 20 0 CAADLO CNC(=O)CCCC(=O)N[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001404988528 889426407 /nfs/dbraw/zinc/42/64/07/889426407.db2.gz RESXPFOPZACWAQ-VIFPVBQESA-N 1 2 270.333 -1.422 20 0 CAADLO CNC(=O)CCCC(=O)N[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001404988528 889426412 /nfs/dbraw/zinc/42/64/12/889426412.db2.gz RESXPFOPZACWAQ-VIFPVBQESA-N 1 2 270.333 -1.422 20 0 CAADLO CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC(=O)NC2)C1 ZINC001405015468 889426421 /nfs/dbraw/zinc/42/64/21/889426421.db2.gz CXGLQFOGGZTGTR-MNOVXSKESA-N 1 2 296.371 -1.161 20 0 CAADLO CCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC(=O)NC2)C1 ZINC001405015468 889426425 /nfs/dbraw/zinc/42/64/25/889426425.db2.gz CXGLQFOGGZTGTR-MNOVXSKESA-N 1 2 296.371 -1.161 20 0 CAADLO COC(=O)NCC(=O)N(C)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001405087466 889426564 /nfs/dbraw/zinc/42/65/64/889426564.db2.gz JHKGDMJXHYQBRE-MRVPVSSYSA-N 1 2 272.305 -1.640 20 0 CAADLO COC(=O)NCC(=O)N(C)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001405087466 889426566 /nfs/dbraw/zinc/42/65/66/889426566.db2.gz JHKGDMJXHYQBRE-MRVPVSSYSA-N 1 2 272.305 -1.640 20 0 CAADLO Cn1cc(CCC(=O)N[C@@H]2CC[N@H+](CC(N)=O)C2)nn1 ZINC001405096510 889428007 /nfs/dbraw/zinc/42/80/07/889428007.db2.gz JIXQTAPSJVLVRZ-SECBINFHSA-N 1 2 280.332 -1.577 20 0 CAADLO Cn1cc(CCC(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C2)nn1 ZINC001405096510 889428015 /nfs/dbraw/zinc/42/80/15/889428015.db2.gz JIXQTAPSJVLVRZ-SECBINFHSA-N 1 2 280.332 -1.577 20 0 CAADLO COCC(=O)NC[C@H](CO)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001405188063 889429489 /nfs/dbraw/zinc/42/94/89/889429489.db2.gz ILVXUMUBKONOFR-OPRDCNLKSA-N 1 2 296.327 -1.247 20 0 CAADLO COCC(=O)NC[C@H](CO)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001405188063 889429495 /nfs/dbraw/zinc/42/94/95/889429495.db2.gz ILVXUMUBKONOFR-OPRDCNLKSA-N 1 2 296.327 -1.247 20 0 CAADLO CCN(C(=O)Cc1nnc[nH]1)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001405174741 889429676 /nfs/dbraw/zinc/42/96/76/889429676.db2.gz MWFKRAWALMSFJJ-VIFPVBQESA-N 1 2 280.332 -1.245 20 0 CAADLO CCN(C(=O)Cc1nnc[nH]1)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001405174741 889429684 /nfs/dbraw/zinc/42/96/84/889429684.db2.gz MWFKRAWALMSFJJ-VIFPVBQESA-N 1 2 280.332 -1.245 20 0 CAADLO CN(C(=O)[C@H]1CCCO1)[C@@H]1CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001405091447 889429734 /nfs/dbraw/zinc/42/97/34/889429734.db2.gz ARLMURBDOQFEBT-NXEZZACHSA-N 1 2 298.343 -1.107 20 0 CAADLO CN(C(=O)[C@H]1CCCO1)[C@@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001405091447 889429739 /nfs/dbraw/zinc/42/97/39/889429739.db2.gz ARLMURBDOQFEBT-NXEZZACHSA-N 1 2 298.343 -1.107 20 0 CAADLO COCC(=O)NC[C@@H](CO)NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001405187660 889429758 /nfs/dbraw/zinc/42/97/58/889429758.db2.gz HYOGVZRYEAGHEW-ONGXEEELSA-N 1 2 298.343 -1.172 20 0 CAADLO COCC(=O)NC[C@@H](CO)NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001405187660 889429763 /nfs/dbraw/zinc/42/97/63/889429763.db2.gz HYOGVZRYEAGHEW-ONGXEEELSA-N 1 2 298.343 -1.172 20 0 CAADLO COCC(=O)NC[C@H](CO)NC(=O)CCc1[nH+]ccn1C ZINC001405203782 889435018 /nfs/dbraw/zinc/43/50/18/889435018.db2.gz NWHQDRNEWXBYKT-SNVBAGLBSA-N 1 2 298.343 -1.408 20 0 CAADLO O=C(Cn1cc[nH+]c1)N[C@@H](CO)CNC(=O)[C@H]1CCOC1 ZINC001405229905 889439754 /nfs/dbraw/zinc/43/97/54/889439754.db2.gz PMJWXJJENRQTSS-WDEREUQCSA-N 1 2 296.327 -1.487 20 0 CAADLO O=C(Cn1cc[nH+]c1)N[C@@H](CO)CNC(=O)c1cn[nH]c1 ZINC001405233344 889439927 /nfs/dbraw/zinc/43/99/27/889439927.db2.gz NHWJCEDVBNZYIP-SNVBAGLBSA-N 1 2 292.299 -1.487 20 0 CAADLO COCC(=O)N[C@@H](CO)CNC(=O)CCn1cc[nH+]c1 ZINC001405335842 889448765 /nfs/dbraw/zinc/44/87/65/889448765.db2.gz CCULUOVRKCJCMJ-SNVBAGLBSA-N 1 2 284.316 -1.487 20 0 CAADLO O=C(Cc1[nH]cc[nH+]1)N[C@H](CO)CNC(=O)c1cnco1 ZINC001405342151 889453127 /nfs/dbraw/zinc/45/31/27/889453127.db2.gz JZKGZUDGZRNAAG-QMMMGPOBSA-N 1 2 293.283 -1.153 20 0 CAADLO O=C(Cc1[nH]cc[nH+]1)N[C@@H](CO)CNC(=O)c1cnco1 ZINC001405342147 889453764 /nfs/dbraw/zinc/45/37/64/889453764.db2.gz JZKGZUDGZRNAAG-MRVPVSSYSA-N 1 2 293.283 -1.153 20 0 CAADLO CC[C@H](OC)C(=O)N[C@@H](CO)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001405388720 889455065 /nfs/dbraw/zinc/45/50/65/889455065.db2.gz MIVRXWBGDOZQDS-ZJUUUORDSA-N 1 2 298.343 -1.030 20 0 CAADLO O=C(Cc1[nH]cc[nH+]1)NC[C@H](CO)NC(=O)C(F)F ZINC001405379232 889457034 /nfs/dbraw/zinc/45/70/34/889457034.db2.gz DGYGQYMXTQNXJE-ZCFIWIBFSA-N 1 2 276.243 -1.189 20 0 CAADLO CCOCC(=O)N(C)C[C@@H](O)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001405554999 889459940 /nfs/dbraw/zinc/45/99/40/889459940.db2.gz XNCVWVKULCOZKH-JTQLQIEISA-N 1 2 298.343 -1.076 20 0 CAADLO C[C@@H]([NH2+]C[C@H]1CCCN1C(=O)Cc1ncn[nH]1)C(N)=O ZINC001405595706 889461389 /nfs/dbraw/zinc/46/13/89/889461389.db2.gz WOBZVKAFZBAKEJ-RKDXNWHRSA-N 1 2 280.332 -1.198 20 0 CAADLO CO[C@H](C)C(=O)N(C)C[C@H](O)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001405580315 889461604 /nfs/dbraw/zinc/46/16/04/889461604.db2.gz JWDBXEJUQVKSRC-NXEZZACHSA-N 1 2 298.343 -1.077 20 0 CAADLO COCC(=O)N(C)C[C@H](O)CNC(=O)CCc1c[nH]c[nH+]1 ZINC001405577086 889461814 /nfs/dbraw/zinc/46/18/14/889461814.db2.gz ZFUKWHXVVMNTBF-LLVKDONJSA-N 1 2 298.343 -1.076 20 0 CAADLO COCC(=O)N(C)C[C@H](O)CNC(=O)CCc1c[nH+]c[nH]1 ZINC001405577086 889461820 /nfs/dbraw/zinc/46/18/20/889461820.db2.gz ZFUKWHXVVMNTBF-LLVKDONJSA-N 1 2 298.343 -1.076 20 0 CAADLO COCC[N@@H+]1CCO[C@H](CNC(=O)[C@H](C)NC(N)=O)C1 ZINC001405736217 889468928 /nfs/dbraw/zinc/46/89/28/889468928.db2.gz NHVMGTPNCMNNNH-VHSXEESVSA-N 1 2 288.348 -1.493 20 0 CAADLO COCC[N@H+]1CCO[C@H](CNC(=O)[C@H](C)NC(N)=O)C1 ZINC001405736217 889468934 /nfs/dbraw/zinc/46/89/34/889468934.db2.gz NHVMGTPNCMNNNH-VHSXEESVSA-N 1 2 288.348 -1.493 20 0 CAADLO CNC(=O)C[N@H+](C)CCN(C)C(=O)[C@H](C)n1cncn1 ZINC001406098944 889473388 /nfs/dbraw/zinc/47/33/88/889473388.db2.gz OOZXJPDRPOXWGI-JTQLQIEISA-N 1 2 282.348 -1.025 20 0 CAADLO CNC(=O)C[N@@H+](C)CCN(C)C(=O)[C@H](C)n1cncn1 ZINC001406098944 889473399 /nfs/dbraw/zinc/47/33/99/889473399.db2.gz OOZXJPDRPOXWGI-JTQLQIEISA-N 1 2 282.348 -1.025 20 0 CAADLO CCCNC(=O)C[N@H+](C)CCN(C)C(=O)[C@H]1CNC(=O)N1 ZINC001406126908 889473425 /nfs/dbraw/zinc/47/34/25/889473425.db2.gz NMOWTNLCZDLUGV-SNVBAGLBSA-N 1 2 299.375 -1.416 20 0 CAADLO CCCNC(=O)C[N@@H+](C)CCN(C)C(=O)[C@H]1CNC(=O)N1 ZINC001406126908 889473434 /nfs/dbraw/zinc/47/34/34/889473434.db2.gz NMOWTNLCZDLUGV-SNVBAGLBSA-N 1 2 299.375 -1.416 20 0 CAADLO CCS(=O)(=O)NCC(=O)N(C)CC[N@H+](C)CC(N)=O ZINC001406100347 889473611 /nfs/dbraw/zinc/47/36/11/889473611.db2.gz DGOKPMIRYYCXDB-UHFFFAOYSA-N 1 2 294.377 -2.199 20 0 CAADLO CCS(=O)(=O)NCC(=O)N(C)CC[N@@H+](C)CC(N)=O ZINC001406100347 889473615 /nfs/dbraw/zinc/47/36/15/889473615.db2.gz DGOKPMIRYYCXDB-UHFFFAOYSA-N 1 2 294.377 -2.199 20 0 CAADLO COCCn1cc(C(=O)N(C)CC[N@H+](C)CC(N)=O)nn1 ZINC001406106805 889473672 /nfs/dbraw/zinc/47/36/72/889473672.db2.gz QDSVHHVUMFTOSN-UHFFFAOYSA-N 1 2 298.347 -1.586 20 0 CAADLO COCCn1cc(C(=O)N(C)CC[N@@H+](C)CC(N)=O)nn1 ZINC001406106805 889473682 /nfs/dbraw/zinc/47/36/82/889473682.db2.gz QDSVHHVUMFTOSN-UHFFFAOYSA-N 1 2 298.347 -1.586 20 0 CAADLO CCCNC(=O)C[N@H+](C)CCN(C)C(=O)[C@@H]1CNC(=O)N1 ZINC001406126900 889473782 /nfs/dbraw/zinc/47/37/82/889473782.db2.gz NMOWTNLCZDLUGV-JTQLQIEISA-N 1 2 299.375 -1.416 20 0 CAADLO CCCNC(=O)C[N@@H+](C)CCN(C)C(=O)[C@@H]1CNC(=O)N1 ZINC001406126900 889473792 /nfs/dbraw/zinc/47/37/92/889473792.db2.gz NMOWTNLCZDLUGV-JTQLQIEISA-N 1 2 299.375 -1.416 20 0 CAADLO CNC(=O)C[N@H+](C)CCN(C)C(=O)C[C@@H](C)NC(N)=O ZINC001406106032 889475050 /nfs/dbraw/zinc/47/50/50/889475050.db2.gz LZVBOMYBGNYLCB-SECBINFHSA-N 1 2 287.364 -1.431 20 0 CAADLO CNC(=O)C[N@@H+](C)CCN(C)C(=O)C[C@@H](C)NC(N)=O ZINC001406106032 889475059 /nfs/dbraw/zinc/47/50/59/889475059.db2.gz LZVBOMYBGNYLCB-SECBINFHSA-N 1 2 287.364 -1.431 20 0 CAADLO CN(CC[N@H+](C)CC(N)=O)C(=O)c1ccn2nnnc2c1 ZINC001406123050 889475238 /nfs/dbraw/zinc/47/52/38/889475238.db2.gz IKMCBDMLBSYXFT-UHFFFAOYSA-N 1 2 291.315 -1.387 20 0 CAADLO CN(CC[N@@H+](C)CC(N)=O)C(=O)c1ccn2nnnc2c1 ZINC001406123050 889475242 /nfs/dbraw/zinc/47/52/42/889475242.db2.gz IKMCBDMLBSYXFT-UHFFFAOYSA-N 1 2 291.315 -1.387 20 0 CAADLO CNC(=O)C[N@H+](C)CCN(C)C(=O)[C@H](C)NC(N)=O ZINC001406088283 889475915 /nfs/dbraw/zinc/47/59/15/889475915.db2.gz CZYURDPMPUKDNR-QMMMGPOBSA-N 1 2 273.337 -1.821 20 0 CAADLO CNC(=O)C[N@@H+](C)CCN(C)C(=O)[C@H](C)NC(N)=O ZINC001406088283 889475918 /nfs/dbraw/zinc/47/59/18/889475918.db2.gz CZYURDPMPUKDNR-QMMMGPOBSA-N 1 2 273.337 -1.821 20 0 CAADLO Cc1noc(C[NH2+]C[C@@H](O)CNC(=O)c2cnn(C)c2)n1 ZINC001406185593 889479232 /nfs/dbraw/zinc/47/92/32/889479232.db2.gz NZYNTXUBTXYYJQ-SNVBAGLBSA-N 1 2 294.315 -1.008 20 0 CAADLO Cc1nnc(C[NH2+]C[C@H](O)CNC(=O)[C@H]2COC(=O)N2)o1 ZINC001406209973 889485259 /nfs/dbraw/zinc/48/52/59/889485259.db2.gz IAOIDXDTWVSWDP-JGVFFNPUSA-N 1 2 299.287 -1.947 20 0 CAADLO Cc1n[nH]c(C(=O)NC[C@H](O)C[NH2+]CC(=O)N(C)C)c1C ZINC001406227298 889493242 /nfs/dbraw/zinc/49/32/42/889493242.db2.gz XNYJBCGUODMVOJ-SNVBAGLBSA-N 1 2 297.359 -1.205 20 0 CAADLO Cn1cc(C[NH2+]C[C@@H](O)CNC(=O)c2cn[nH]n2)nn1 ZINC001406242637 889496203 /nfs/dbraw/zinc/49/62/03/889496203.db2.gz CTPAFQXULYHYSK-MRVPVSSYSA-N 1 2 280.292 -2.186 20 0 CAADLO Cn1cc(C[NH2+]C[C@@H](O)CNC(=O)c2cnn[nH]2)nn1 ZINC001406242637 889496206 /nfs/dbraw/zinc/49/62/06/889496206.db2.gz CTPAFQXULYHYSK-MRVPVSSYSA-N 1 2 280.292 -2.186 20 0 CAADLO NC(=O)[C@@H]1C[C@@H]1C(=O)NC[C@H](O)C[NH2+]Cc1csnn1 ZINC001406254368 889498053 /nfs/dbraw/zinc/49/80/53/889498053.db2.gz BLULQYODRSNTCK-HLTSFMKQSA-N 1 2 299.356 -1.774 20 0 CAADLO NC(=O)[C@@H]1C[C@@H]1C(=O)NC[C@@H](O)C[NH2+]Cc1csnn1 ZINC001406254375 889498187 /nfs/dbraw/zinc/49/81/87/889498187.db2.gz BLULQYODRSNTCK-YIZRAAEISA-N 1 2 299.356 -1.774 20 0 CAADLO COCCC(=O)N1C[C@@H](O)[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001406293852 889510389 /nfs/dbraw/zinc/51/03/89/889510389.db2.gz ZCDREDHWANRIIZ-GHMZBOCLSA-N 1 2 296.327 -1.323 20 0 CAADLO CCOCC(=O)N[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1O ZINC001406371873 889516849 /nfs/dbraw/zinc/51/68/49/889516849.db2.gz NKUCGWIWGHPTOP-ZJUUUORDSA-N 1 2 296.327 -1.323 20 0 CAADLO C[C@@H](C[NH2+]Cc1n[nH]c(=O)[n-]1)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001406456549 889520610 /nfs/dbraw/zinc/52/06/10/889520610.db2.gz XREIVJYZUVBCBW-DTWKUNHWSA-N 1 2 298.347 -1.565 20 0 CAADLO C[C@@H](C[NH2+]Cc1n[nH]c(=O)[n-]1)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001406456549 889520623 /nfs/dbraw/zinc/52/06/23/889520623.db2.gz XREIVJYZUVBCBW-DTWKUNHWSA-N 1 2 298.347 -1.565 20 0 CAADLO C[C@@H](C[NH2+]Cc1n[nH]c(=O)[n-]1)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001406456550 889521736 /nfs/dbraw/zinc/52/17/36/889521736.db2.gz XREIVJYZUVBCBW-IUCAKERBSA-N 1 2 298.347 -1.565 20 0 CAADLO C[C@@H](C[NH2+]Cc1n[nH]c(=O)[n-]1)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001406456550 889521744 /nfs/dbraw/zinc/52/17/44/889521744.db2.gz XREIVJYZUVBCBW-IUCAKERBSA-N 1 2 298.347 -1.565 20 0 CAADLO COc1c[nH]c(C(=O)N[C@@H](C)C[N@H+](C)CC(N)=O)cc1=O ZINC001406632712 889532993 /nfs/dbraw/zinc/53/29/93/889532993.db2.gz UUUOXVORXSOQLC-QMMMGPOBSA-N 1 2 296.327 -1.081 20 0 CAADLO COc1c[nH]c(C(=O)N[C@@H](C)C[N@@H+](C)CC(N)=O)cc1=O ZINC001406632712 889532999 /nfs/dbraw/zinc/53/29/99/889532999.db2.gz UUUOXVORXSOQLC-QMMMGPOBSA-N 1 2 296.327 -1.081 20 0 CAADLO CCN(C)C(=O)C[N@@H+]1CC[C@H]1CNC(=O)[C@H]1COC(=O)N1 ZINC001406826693 889536795 /nfs/dbraw/zinc/53/67/95/889536795.db2.gz DESZHYAATPVOEF-VHSXEESVSA-N 1 2 298.343 -1.236 20 0 CAADLO CCN(C)C(=O)C[N@H+]1CC[C@H]1CNC(=O)[C@H]1COC(=O)N1 ZINC001406826693 889536810 /nfs/dbraw/zinc/53/68/10/889536810.db2.gz DESZHYAATPVOEF-VHSXEESVSA-N 1 2 298.343 -1.236 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+]1CC[C@@H]1CNC(=O)CNC(=O)OC ZINC001406821222 889537664 /nfs/dbraw/zinc/53/76/64/889537664.db2.gz PJTLRQZHRXWYOT-DTWKUNHWSA-N 1 2 286.332 -1.333 20 0 CAADLO CNC(=O)[C@H](C)[N@H+]1CC[C@@H]1CNC(=O)CNC(=O)OC ZINC001406821222 889537670 /nfs/dbraw/zinc/53/76/70/889537670.db2.gz PJTLRQZHRXWYOT-DTWKUNHWSA-N 1 2 286.332 -1.333 20 0 CAADLO CCN(C)C(=O)C[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1COC(=O)N1 ZINC001406826702 889539203 /nfs/dbraw/zinc/53/92/03/889539203.db2.gz DESZHYAATPVOEF-ZJUUUORDSA-N 1 2 298.343 -1.236 20 0 CAADLO CCN(C)C(=O)C[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1COC(=O)N1 ZINC001406826702 889539214 /nfs/dbraw/zinc/53/92/14/889539214.db2.gz DESZHYAATPVOEF-ZJUUUORDSA-N 1 2 298.343 -1.236 20 0 CAADLO CN(C)C(=O)C[N@@H+]1CC[C@@H]1CNC(=O)Cn1ncnn1 ZINC001406836825 889540653 /nfs/dbraw/zinc/54/06/53/889540653.db2.gz WWPHBLCGTSZUPO-SECBINFHSA-N 1 2 281.320 -2.048 20 0 CAADLO CN(C)C(=O)C[N@H+]1CC[C@@H]1CNC(=O)Cn1ncnn1 ZINC001406836825 889540656 /nfs/dbraw/zinc/54/06/56/889540656.db2.gz WWPHBLCGTSZUPO-SECBINFHSA-N 1 2 281.320 -2.048 20 0 CAADLO CNC(=O)NCC(=O)NC[C@H]1CC[N@@H+]1CC(=O)N1CCC1 ZINC001406871562 889542103 /nfs/dbraw/zinc/54/21/03/889542103.db2.gz ZSHOMMNBANFBLY-SNVBAGLBSA-N 1 2 297.359 -1.662 20 0 CAADLO CNC(=O)NCC(=O)NC[C@H]1CC[N@H+]1CC(=O)N1CCC1 ZINC001406871562 889542112 /nfs/dbraw/zinc/54/21/12/889542112.db2.gz ZSHOMMNBANFBLY-SNVBAGLBSA-N 1 2 297.359 -1.662 20 0 CAADLO O=C(CN1CCOCC1)NC[C@H]1CC[N@@H+]1[C@H]1CCNC1=O ZINC001406845060 889543165 /nfs/dbraw/zinc/54/31/65/889543165.db2.gz JXBBZWKRCZYMGJ-NEPJUHHUSA-N 1 2 296.371 -1.602 20 0 CAADLO O=C(CN1CCOCC1)NC[C@H]1CC[N@H+]1[C@H]1CCNC1=O ZINC001406845060 889543176 /nfs/dbraw/zinc/54/31/76/889543176.db2.gz JXBBZWKRCZYMGJ-NEPJUHHUSA-N 1 2 296.371 -1.602 20 0 CAADLO CN(C)C(=O)C[N@@H+]1CC[C@@H]1CNC(=O)Cn1cncn1 ZINC001406891598 889544653 /nfs/dbraw/zinc/54/46/53/889544653.db2.gz SSBZDHRPUQCRFU-SNVBAGLBSA-N 1 2 280.332 -1.443 20 0 CAADLO CN(C)C(=O)C[N@H+]1CC[C@@H]1CNC(=O)Cn1cncn1 ZINC001406891598 889544662 /nfs/dbraw/zinc/54/46/62/889544662.db2.gz SSBZDHRPUQCRFU-SNVBAGLBSA-N 1 2 280.332 -1.443 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+]1CC[C@@H]1CNC(=O)CCNC(N)=O ZINC001406887725 889544719 /nfs/dbraw/zinc/54/47/19/889544719.db2.gz JYVNISOFTHCPKO-RKDXNWHRSA-N 1 2 285.348 -1.630 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+]1CC[C@@H]1CNC(=O)CCNC(N)=O ZINC001406887725 889544725 /nfs/dbraw/zinc/54/47/25/889544725.db2.gz JYVNISOFTHCPKO-RKDXNWHRSA-N 1 2 285.348 -1.630 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CC[C@H]1CNC(=O)Cn1ccccc1=O ZINC001406887589 889545022 /nfs/dbraw/zinc/54/50/22/889545022.db2.gz IDKHEYYLYJZJDW-MNOVXSKESA-N 1 2 292.339 -1.087 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CC[C@H]1CNC(=O)Cn1ccccc1=O ZINC001406887589 889545036 /nfs/dbraw/zinc/54/50/36/889545036.db2.gz IDKHEYYLYJZJDW-MNOVXSKESA-N 1 2 292.339 -1.087 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CC[C@H]1CNC(=O)Cn1ccccc1=O ZINC001406887591 889545077 /nfs/dbraw/zinc/54/50/77/889545077.db2.gz IDKHEYYLYJZJDW-QWRGUYRKSA-N 1 2 292.339 -1.087 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CC[C@H]1CNC(=O)Cn1ccccc1=O ZINC001406887591 889545088 /nfs/dbraw/zinc/54/50/88/889545088.db2.gz IDKHEYYLYJZJDW-QWRGUYRKSA-N 1 2 292.339 -1.087 20 0 CAADLO CN(C)C(=O)C[N@@H+]1CC[C@H]1CNC(=O)Cn1cncn1 ZINC001406891578 889546351 /nfs/dbraw/zinc/54/63/51/889546351.db2.gz SSBZDHRPUQCRFU-JTQLQIEISA-N 1 2 280.332 -1.443 20 0 CAADLO CN(C)C(=O)C[N@H+]1CC[C@H]1CNC(=O)Cn1cncn1 ZINC001406891578 889546355 /nfs/dbraw/zinc/54/63/55/889546355.db2.gz SSBZDHRPUQCRFU-JTQLQIEISA-N 1 2 280.332 -1.443 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CC[C@@H]1CNC(=O)Cn1ccccc1=O ZINC001406887588 889547216 /nfs/dbraw/zinc/54/72/16/889547216.db2.gz IDKHEYYLYJZJDW-GHMZBOCLSA-N 1 2 292.339 -1.087 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CC[C@@H]1CNC(=O)Cn1ccccc1=O ZINC001406887588 889547224 /nfs/dbraw/zinc/54/72/24/889547224.db2.gz IDKHEYYLYJZJDW-GHMZBOCLSA-N 1 2 292.339 -1.087 20 0 CAADLO Cn1ncc(C[NH2+]C2(CNC(=O)c3nnn(C)n3)CC2)n1 ZINC001406955085 889550300 /nfs/dbraw/zinc/55/03/00/889550300.db2.gz GSQGVLVTSNLXID-UHFFFAOYSA-N 1 2 291.319 -1.609 20 0 CAADLO COC[C@H](O)C[NH+]1CC(N(C)C(=O)[C@H](C)NC(C)=O)C1 ZINC001407032557 889550517 /nfs/dbraw/zinc/55/05/17/889550517.db2.gz CJUWYMMOPWNNRE-JOYOIKCWSA-N 1 2 287.360 -1.339 20 0 CAADLO C[C@H]([NH2+]C[C@@H]1CCCN1C(=O)Cc1ncn[nH]1)C(N)=O ZINC001407108126 889552790 /nfs/dbraw/zinc/55/27/90/889552790.db2.gz WOBZVKAFZBAKEJ-IUCAKERBSA-N 1 2 280.332 -1.198 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)c2csnn2)C1 ZINC001407363324 889562044 /nfs/dbraw/zinc/56/20/44/889562044.db2.gz NIORDJOXOFXCCP-JTQLQIEISA-N 1 2 285.329 -1.810 20 0 CAADLO NC(=O)C[N@H+]1CC[C@](O)(CNC(=O)c2csnn2)C1 ZINC001407363324 889562048 /nfs/dbraw/zinc/56/20/48/889562048.db2.gz NIORDJOXOFXCCP-JTQLQIEISA-N 1 2 285.329 -1.810 20 0 CAADLO O=C(NCC1(O)C[NH+](C[C@H](O)Cn2cccn2)C1)C1CC1 ZINC001407382079 889564136 /nfs/dbraw/zinc/56/41/36/889564136.db2.gz NTORDYFAMTVBKG-LBPRGKRZSA-N 1 2 294.355 -1.183 20 0 CAADLO O=C(Cc1nnc[nH]1)NC[C@]1(O)CC[N@H+](CCF)C1 ZINC001407367164 889564394 /nfs/dbraw/zinc/56/43/94/889564394.db2.gz JVQRVZHWNZCAJV-LLVKDONJSA-N 1 2 271.296 -1.130 20 0 CAADLO O=C(Cc1nnc[nH]1)NC[C@]1(O)CC[N@@H+](CCF)C1 ZINC001407367164 889564400 /nfs/dbraw/zinc/56/44/00/889564400.db2.gz JVQRVZHWNZCAJV-LLVKDONJSA-N 1 2 271.296 -1.130 20 0 CAADLO COC[C@H](O)C[NH+]1CC(O)(CNC(=O)Cn2cccn2)C1 ZINC001407381838 889564817 /nfs/dbraw/zinc/56/48/17/889564817.db2.gz JSIOBOAHGXZXSB-LLVKDONJSA-N 1 2 298.343 -1.947 20 0 CAADLO C[C@H](O)C[NH+]1CC(O)(CNC(=O)Cn2cnnn2)C1 ZINC001407376760 889565771 /nfs/dbraw/zinc/56/57/71/889565771.db2.gz DECNRQVBXWEJOQ-QMMMGPOBSA-N 1 2 270.293 -2.783 20 0 CAADLO CC(=O)N[C@H](C)C(=O)NCC1(O)C[NH+](C[C@@H](C)O)C1 ZINC001407386062 889566106 /nfs/dbraw/zinc/56/61/06/889566106.db2.gz TYAAEOLPOKUORN-RKDXNWHRSA-N 1 2 273.333 -1.945 20 0 CAADLO CC(=O)NCC(=O)NCC1(O)C[NH+](C[C@H]2CC[C@H](C)O2)C1 ZINC001407383089 889566717 /nfs/dbraw/zinc/56/67/17/889566717.db2.gz PKPNLTCQSSEEIR-CMPLNLGQSA-N 1 2 299.371 -1.147 20 0 CAADLO CO[C@H](C)C[NH+]1CC(O)(CNC(=O)Cn2cnnn2)C1 ZINC001407381055 889567507 /nfs/dbraw/zinc/56/75/07/889567507.db2.gz HTYGEQAUUVJZEQ-SECBINFHSA-N 1 2 284.320 -2.129 20 0 CAADLO C[C@@H](O)C[NH+]1CC(O)(CNC(=O)C2=COCCO2)C1 ZINC001407388508 889568538 /nfs/dbraw/zinc/56/85/38/889568538.db2.gz ZUSFRLGIAMOWQO-SECBINFHSA-N 1 2 272.301 -1.582 20 0 CAADLO CC(=O)NCC(=O)NCC1(O)CN(Cc2c[nH+]cn2C)C1 ZINC001407387287 889568814 /nfs/dbraw/zinc/56/88/14/889568814.db2.gz ZSQAEBFMKGLPDF-UHFFFAOYSA-N 1 2 295.343 -1.781 20 0 CAADLO CC[C@@H](C[NH+]1CC(O)(CNC(=O)[C@H]2CCC(=O)N2)C1)OC ZINC001407398393 889569829 /nfs/dbraw/zinc/56/98/29/889569829.db2.gz MAYISBKXZHNXCN-WDEREUQCSA-N 1 2 299.371 -1.147 20 0 CAADLO CC[C@H](C[NH+]1CC(O)(CNC(=O)[C@H]2CCC(=O)N2)C1)OC ZINC001407398390 889569913 /nfs/dbraw/zinc/56/99/13/889569913.db2.gz MAYISBKXZHNXCN-GHMZBOCLSA-N 1 2 299.371 -1.147 20 0 CAADLO COC[C@H](O)C[NH+]1CC(O)(CNC(=O)c2cocn2)C1 ZINC001407398375 889570203 /nfs/dbraw/zinc/57/02/03/889570203.db2.gz LVCXKNDJAWLMDJ-SECBINFHSA-N 1 2 285.300 -1.542 20 0 CAADLO C[C@H](O)C[NH+]1CC(O)(CNC(=O)C2=CCOCC2)C1 ZINC001407401539 889570237 /nfs/dbraw/zinc/57/02/37/889570237.db2.gz KLORTAGHYBQRIY-JTQLQIEISA-N 1 2 270.329 -1.123 20 0 CAADLO C[C@H](O)C[NH+]1CC(O)(CNC(=O)C2=COCCO2)C1 ZINC001407388509 889570283 /nfs/dbraw/zinc/57/02/83/889570283.db2.gz ZUSFRLGIAMOWQO-VIFPVBQESA-N 1 2 272.301 -1.582 20 0 CAADLO COc1cc(C(=O)NCC2(O)C[NH+](C[C@H](C)O)C2)nn1C ZINC001407408141 889572534 /nfs/dbraw/zinc/57/25/34/889572534.db2.gz IQRRBLNMRBMBHV-VIFPVBQESA-N 1 2 298.343 -1.414 20 0 CAADLO O=C(CCn1ccnn1)NCC1(O)C[NH+](CCCO)C1 ZINC001407405393 889572575 /nfs/dbraw/zinc/57/25/75/889572575.db2.gz KOZZWOFOFFEWPM-UHFFFAOYSA-N 1 2 283.332 -1.787 20 0 CAADLO COc1cc(C(=O)NCC2(O)C[NH+](C[C@@H](C)O)C2)nn1C ZINC001407408137 889572661 /nfs/dbraw/zinc/57/26/61/889572661.db2.gz IQRRBLNMRBMBHV-SECBINFHSA-N 1 2 298.343 -1.414 20 0 CAADLO C[C@@H](O)C[NH+]1CC(O)(CNC(=O)c2cc3n(n2)CCO3)C1 ZINC001407408445 889573212 /nfs/dbraw/zinc/57/32/12/889573212.db2.gz YVTUOHWTPKYTRF-SECBINFHSA-N 1 2 296.327 -1.567 20 0 CAADLO O=C(NCC1(O)C[NH+](CCCO)C1)c1cnn2c1CCC2 ZINC001407405665 889573413 /nfs/dbraw/zinc/57/34/13/889573413.db2.gz UWIKTQFJAGGBEA-UHFFFAOYSA-N 1 2 294.355 -1.012 20 0 CAADLO COc1nccc(C(=O)NCC2(O)C[NH+](C[C@@H](C)O)C2)n1 ZINC001407406823 889573603 /nfs/dbraw/zinc/57/36/03/889573603.db2.gz CUWOGIQZKRLLTL-SECBINFHSA-N 1 2 296.327 -1.358 20 0 CAADLO CO[C@H](C)C[NH+]1CC(O)(CNC(=O)CCn2cnnn2)C1 ZINC001407433267 889575112 /nfs/dbraw/zinc/57/51/12/889575112.db2.gz DKIPQDVHCPRPBJ-SNVBAGLBSA-N 1 2 298.347 -1.739 20 0 CAADLO CC[NH+]1CC(O)(CNC(=O)C[C@H](NC(C)=O)C(N)=O)C1 ZINC001407429251 889575271 /nfs/dbraw/zinc/57/52/71/889575271.db2.gz DEFSYUAAWABCSN-VIFPVBQESA-N 1 2 286.332 -2.451 20 0 CAADLO CO[C@@H](C)C[NH+]1CC(O)(CNC(=O)Cn2cncn2)C1 ZINC001407466386 889575514 /nfs/dbraw/zinc/57/55/14/889575514.db2.gz RHRBUCYRSVDRAW-JTQLQIEISA-N 1 2 283.332 -1.524 20 0 CAADLO CO[C@@H](C)C[NH+]1CC(O)(CNC(=O)CCn2cnnn2)C1 ZINC001407433266 889575733 /nfs/dbraw/zinc/57/57/33/889575733.db2.gz DKIPQDVHCPRPBJ-JTQLQIEISA-N 1 2 298.347 -1.739 20 0 CAADLO COC[C@@H](OC)C(=O)NCC1(O)C[NH+](C[C@H](C)OC)C1 ZINC001407431788 889575941 /nfs/dbraw/zinc/57/59/41/889575941.db2.gz XHGQMEPNPMCASL-WDEREUQCSA-N 1 2 290.360 -1.154 20 0 CAADLO C[C@H](F)CC[NH+]1CC(O)(CNC(=O)CCNC(N)=O)C1 ZINC001407467939 889576109 /nfs/dbraw/zinc/57/61/09/889576109.db2.gz TWJRQPRXRPSCCC-VIFPVBQESA-N 1 2 290.339 -1.044 20 0 CAADLO C[C@@H](CC(N)=O)C(=O)NCC1(O)C[NH+](CCCO)C1 ZINC001407430894 889576192 /nfs/dbraw/zinc/57/61/92/889576192.db2.gz KBHPADROUXQIOC-VIFPVBQESA-N 1 2 273.333 -1.957 20 0 CAADLO C[C@@H](O)C[NH+]1CC(O)(CNC(=O)CCc2cnn(C)n2)C1 ZINC001407433511 889576457 /nfs/dbraw/zinc/57/64/57/889576457.db2.gz XMNMUSCNCNXONQ-SNVBAGLBSA-N 1 2 297.359 -1.709 20 0 CAADLO COC[C@H](OC)C(=O)NCC1(O)C[NH+](C[C@H](C)OC)C1 ZINC001407431787 889576523 /nfs/dbraw/zinc/57/65/23/889576523.db2.gz XHGQMEPNPMCASL-QWRGUYRKSA-N 1 2 290.360 -1.154 20 0 CAADLO NC(=O)c1ccc(C(=O)NCC2(O)C[NH+](CCCO)C2)[nH]1 ZINC001407424409 889577162 /nfs/dbraw/zinc/57/71/62/889577162.db2.gz CYXIAYQYEZXFBQ-UHFFFAOYSA-N 1 2 296.327 -1.728 20 0 CAADLO C[C@@]1(C(=O)NC[C@@H]2C[N@H+](CCO)CCO2)CCNC(=O)C1 ZINC001407492650 889578961 /nfs/dbraw/zinc/57/89/61/889578961.db2.gz NSUCRNLSLLDFGX-BXUZGUMPSA-N 1 2 299.371 -1.288 20 0 CAADLO C[C@@]1(C(=O)NC[C@@H]2C[N@@H+](CCO)CCO2)CCNC(=O)C1 ZINC001407492650 889578969 /nfs/dbraw/zinc/57/89/69/889578969.db2.gz NSUCRNLSLLDFGX-BXUZGUMPSA-N 1 2 299.371 -1.288 20 0 CAADLO O=C(C[C@@H]1CCCC(=O)N1)NC[C@H]1C[N@H+](CCO)CCO1 ZINC001407495922 889579341 /nfs/dbraw/zinc/57/93/41/889579341.db2.gz SDPYXIKQIYUSKU-RYUDHWBXSA-N 1 2 299.371 -1.146 20 0 CAADLO O=C(C[C@@H]1CCCC(=O)N1)NC[C@H]1C[N@@H+](CCO)CCO1 ZINC001407495922 889579350 /nfs/dbraw/zinc/57/93/50/889579350.db2.gz SDPYXIKQIYUSKU-RYUDHWBXSA-N 1 2 299.371 -1.146 20 0 CAADLO CNC(=O)[C@@H](C)N1CC(O)(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001407502254 889579382 /nfs/dbraw/zinc/57/93/82/889579382.db2.gz LTFMLPRYTWWMKW-SNVBAGLBSA-N 1 2 295.343 -1.820 20 0 CAADLO NC(=O)c1cc(C(=O)NCC2(O)C[NH+](CCCO)C2)c[nH]1 ZINC001407472945 889580171 /nfs/dbraw/zinc/58/01/71/889580171.db2.gz IEHOTZMTQPHXFY-UHFFFAOYSA-N 1 2 296.327 -1.728 20 0 CAADLO NC(=O)NCCC(=O)N[C@]1(CO)CCC[N@H+](CCF)C1 ZINC001407631215 889581750 /nfs/dbraw/zinc/58/17/50/889581750.db2.gz IPZQOMYNZBHWNQ-GFCCVEGCSA-N 1 2 290.339 -1.043 20 0 CAADLO NC(=O)NCCC(=O)N[C@]1(CO)CCC[N@@H+](CCF)C1 ZINC001407631215 889581761 /nfs/dbraw/zinc/58/17/61/889581761.db2.gz IPZQOMYNZBHWNQ-GFCCVEGCSA-N 1 2 290.339 -1.043 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CCC[C@@](CO)(NC(=O)c2cn[nH]c2)C1 ZINC001407608492 889582634 /nfs/dbraw/zinc/58/26/34/889582634.db2.gz JJQBPWBOBAJECX-NOZJJQNGSA-N 1 2 295.343 -1.160 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CCC[C@@](CO)(NC(=O)c2cn[nH]c2)C1 ZINC001407608492 889582643 /nfs/dbraw/zinc/58/26/43/889582643.db2.gz JJQBPWBOBAJECX-NOZJJQNGSA-N 1 2 295.343 -1.160 20 0 CAADLO CNC(=O)C[N@@H+]1CCC[C@](CO)(NC(=O)[C@H](C)OC)C1 ZINC001407620238 889582743 /nfs/dbraw/zinc/58/27/43/889582743.db2.gz SYVQKLODOPGGSD-GWCFXTLKSA-N 1 2 287.360 -1.290 20 0 CAADLO CNC(=O)C[N@H+]1CCC[C@](CO)(NC(=O)[C@H](C)OC)C1 ZINC001407620238 889582748 /nfs/dbraw/zinc/58/27/48/889582748.db2.gz SYVQKLODOPGGSD-GWCFXTLKSA-N 1 2 287.360 -1.290 20 0 CAADLO C[C@H](O)C[N@@H+]1CCOC[C@@H]1CNC(=O)CN1CCCC1=O ZINC001407728289 889588197 /nfs/dbraw/zinc/58/81/97/889588197.db2.gz VMNDVJPRSICHQG-RYUDHWBXSA-N 1 2 299.371 -1.193 20 0 CAADLO C[C@H](O)C[N@H+]1CCOC[C@@H]1CNC(=O)CN1CCCC1=O ZINC001407728289 889588205 /nfs/dbraw/zinc/58/82/05/889588205.db2.gz VMNDVJPRSICHQG-RYUDHWBXSA-N 1 2 299.371 -1.193 20 0 CAADLO O=C(C[C@H]1CCNC1=O)NC[C@@H]1COCC[N@H+]1CCCO ZINC001407746400 889588444 /nfs/dbraw/zinc/58/84/44/889588444.db2.gz ZJIPWGDLIFSYAY-VXGBXAGGSA-N 1 2 299.371 -1.288 20 0 CAADLO O=C(C[C@H]1CCNC1=O)NC[C@@H]1COCC[N@@H+]1CCCO ZINC001407746400 889588450 /nfs/dbraw/zinc/58/84/50/889588450.db2.gz ZJIPWGDLIFSYAY-VXGBXAGGSA-N 1 2 299.371 -1.288 20 0 CAADLO C[C@H](CNC(=O)Cn1cnnn1)NC(=O)Cn1cc[nH+]c1 ZINC001408072005 889599445 /nfs/dbraw/zinc/59/94/45/889599445.db2.gz QLLOZXLYZTVBMS-SECBINFHSA-N 1 2 292.303 -1.809 20 0 CAADLO C[C@H](CNC(=O)Cn1cc[nH+]c1)NC(=O)Cn1nccn1 ZINC001408225557 889605406 /nfs/dbraw/zinc/60/54/06/889605406.db2.gz RATQGPRXHHDLIR-SNVBAGLBSA-N 1 2 291.315 -1.204 20 0 CAADLO C[C@@H](CNC(=O)c1nnn(C)n1)NC(=O)Cn1cc[nH+]c1 ZINC001408279474 889607626 /nfs/dbraw/zinc/60/76/26/889607626.db2.gz DCONBNGRBYHGNY-QMMMGPOBSA-N 1 2 292.303 -1.659 20 0 CAADLO C[C@H](C(N)=O)[NH+]1CCC(CO)(NC(=O)c2nnc[nH]2)CC1 ZINC001408275873 889608363 /nfs/dbraw/zinc/60/83/63/889608363.db2.gz LTTOSBRZFRZVMD-MRVPVSSYSA-N 1 2 296.331 -1.765 20 0 CAADLO C[C@H](CNC(=O)c1nnn(C)n1)NC(=O)Cn1cc[nH+]c1 ZINC001408279469 889608655 /nfs/dbraw/zinc/60/86/55/889608655.db2.gz DCONBNGRBYHGNY-MRVPVSSYSA-N 1 2 292.303 -1.659 20 0 CAADLO C[C@H](CNC(=O)Cc1c[nH]c[nH+]1)NC(=O)c1nnn(C)n1 ZINC001408361102 889611030 /nfs/dbraw/zinc/61/10/30/889611030.db2.gz QAJSZZSAKZSRFE-SSDOTTSWSA-N 1 2 292.303 -1.590 20 0 CAADLO CC(=O)N[C@@H](C)C(=O)NCCN(C)C(=O)Cn1cc[nH+]c1 ZINC001408517596 889611567 /nfs/dbraw/zinc/61/15/67/889611567.db2.gz OAPWLTQEXLHOCQ-JTQLQIEISA-N 1 2 295.343 -1.018 20 0 CAADLO C[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)NC(=O)c1nnn(C)n1 ZINC001408361103 889611889 /nfs/dbraw/zinc/61/18/89/889611889.db2.gz QAJSZZSAKZSRFE-ZETCQYMHSA-N 1 2 292.303 -1.590 20 0 CAADLO CN(CCNC(=O)Cc1[nH]cc[nH+]1)C(=O)c1cnn(C)n1 ZINC001408666078 889618558 /nfs/dbraw/zinc/61/85/58/889618558.db2.gz IDPLZXVDIGLULG-UHFFFAOYSA-N 1 2 291.315 -1.031 20 0 CAADLO CC(=O)N1CC[NH+](CCN(C)C(=O)CCNC(N)=O)CC1 ZINC001408979121 889619667 /nfs/dbraw/zinc/61/96/67/889619667.db2.gz KCOQQSXFGDNRMW-UHFFFAOYSA-N 1 2 299.375 -1.333 20 0 CAADLO CN(CCNC(=O)Cc1c[nH]c[nH+]1)C(=O)c1cn[nH]n1 ZINC001408704944 889620089 /nfs/dbraw/zinc/62/00/89/889620089.db2.gz KYXFQMRYYQKJBR-UHFFFAOYSA-N 1 2 277.288 -1.041 20 0 CAADLO C[C@H](NC(N)=O)C(=O)NC1CN(C(=O)Cn2cc[nH+]c2)C1 ZINC001409045487 889624505 /nfs/dbraw/zinc/62/45/05/889624505.db2.gz ITARKTSSIMLLGQ-QMMMGPOBSA-N 1 2 294.315 -1.733 20 0 CAADLO C[C@H](NC(N)=O)C(=O)N1CC(NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001409096833 889629248 /nfs/dbraw/zinc/62/92/48/889629248.db2.gz LMQMHZJIJXQOEW-ZETCQYMHSA-N 1 2 294.315 -1.664 20 0 CAADLO C[C@@H](NC(=O)c1cn[nH]n1)[C@H](C)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001409386594 889632365 /nfs/dbraw/zinc/63/23/65/889632365.db2.gz SYUXXMJBFHIZOM-NKWVEPMBSA-N 1 2 294.319 -1.477 20 0 CAADLO C[C@@H](NC(=O)c1cnn[nH]1)[C@H](C)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001409386594 889632382 /nfs/dbraw/zinc/63/23/82/889632382.db2.gz SYUXXMJBFHIZOM-NKWVEPMBSA-N 1 2 294.319 -1.477 20 0 CAADLO C[C@H](NC(=O)c1cn[nH]n1)[C@H](C)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001409386570 889633288 /nfs/dbraw/zinc/63/32/88/889633288.db2.gz SYUXXMJBFHIZOM-BQBZGAKWSA-N 1 2 294.319 -1.477 20 0 CAADLO C[C@H](NC(=O)c1cnn[nH]1)[C@H](C)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001409386570 889633301 /nfs/dbraw/zinc/63/33/01/889633301.db2.gz SYUXXMJBFHIZOM-BQBZGAKWSA-N 1 2 294.319 -1.477 20 0 CAADLO C[C@@H](NC(=O)CCNC(N)=O)[C@H](C)[NH2+]Cc1nnn(C)n1 ZINC001409470312 889637620 /nfs/dbraw/zinc/63/76/20/889637620.db2.gz MGOLYYOONZZLSX-JGVFFNPUSA-N 1 2 298.351 -1.749 20 0 CAADLO C[C@@H](NC(=O)CCNC(N)=O)[C@@H](C)[NH2+]Cc1nnn(C)n1 ZINC001409470306 889638698 /nfs/dbraw/zinc/63/86/98/889638698.db2.gz MGOLYYOONZZLSX-HTQZYQBOSA-N 1 2 298.351 -1.749 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(CCO)(NC(=O)C2CC2)C1 ZINC001409700749 889640720 /nfs/dbraw/zinc/64/07/20/889640720.db2.gz UAYUCYAAHWGOPH-NSHDSACASA-N 1 2 272.345 -1.043 20 0 CAADLO C[C@H](O)C[NH+]1CC(CCO)(NC(=O)CN2CCCC2=O)C1 ZINC001409693870 889641338 /nfs/dbraw/zinc/64/13/38/889641338.db2.gz SSGYBSZKLZZIEW-NSHDSACASA-N 1 2 299.371 -1.457 20 0 CAADLO Cc1nnc(CC(=O)NC2(CCO)C[NH+](CCCO)C2)[nH]1 ZINC001409705745 889641396 /nfs/dbraw/zinc/64/13/96/889641396.db2.gz ZTBMCUAMKNLRGS-UHFFFAOYSA-N 1 2 297.359 -1.409 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(CCO)(NC(=O)c2ncc[nH]2)C1 ZINC001409704090 889642630 /nfs/dbraw/zinc/64/26/30/889642630.db2.gz VXMDVBGNOPABNZ-JTQLQIEISA-N 1 2 298.343 -1.416 20 0 CAADLO C[C@@H](O)C[NH+]1CC(CCO)(NC(=O)CN2CCCC2=O)C1 ZINC001409693865 889642755 /nfs/dbraw/zinc/64/27/55/889642755.db2.gz SSGYBSZKLZZIEW-LLVKDONJSA-N 1 2 299.371 -1.457 20 0 CAADLO C[C@H](C(N)=O)N1CC(CCO)(NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001409762723 889643939 /nfs/dbraw/zinc/64/39/39/889643939.db2.gz VTTGQKWPFJKPGR-SECBINFHSA-N 1 2 295.343 -1.621 20 0 CAADLO Cn1ncc(C(=O)NC2(CCO)C[NH+](CCCO)C2)n1 ZINC001409748501 889644197 /nfs/dbraw/zinc/64/41/97/889644197.db2.gz OITUQLIKWZXRPW-UHFFFAOYSA-N 1 2 283.332 -1.636 20 0 CAADLO C[C@@H](O)C[NH+]1CC(CCO)(NC(=O)c2ccn(C)n2)C1 ZINC001409755428 889644870 /nfs/dbraw/zinc/64/48/70/889644870.db2.gz NTHQIMMASDLYQX-SNVBAGLBSA-N 1 2 282.344 -1.033 20 0 CAADLO C[C@@H](C(N)=O)N1CC(CCO)(NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001409762728 889645073 /nfs/dbraw/zinc/64/50/73/889645073.db2.gz VTTGQKWPFJKPGR-VIFPVBQESA-N 1 2 295.343 -1.621 20 0 CAADLO CO[C@@H](C)C(=O)N[C@@H](C)C1C[NH+](CC(=O)NC(N)=O)C1 ZINC001409850520 889646233 /nfs/dbraw/zinc/64/62/33/889646233.db2.gz NPKRNMGXXVVKQA-YUMQZZPRSA-N 1 2 286.332 -1.347 20 0 CAADLO O=C(C[C@@H]1CCC(=O)N1)NC1(CCO)C[NH+](CCCO)C1 ZINC001409751977 889646363 /nfs/dbraw/zinc/64/63/63/889646363.db2.gz XGLUEIHROPLJED-NSHDSACASA-N 1 2 299.371 -1.410 20 0 CAADLO CC[NH+]1CC(CCO)(NC(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001409759606 889646398 /nfs/dbraw/zinc/64/63/98/889646398.db2.gz YPHRJFFHTCTMLF-SECBINFHSA-N 1 2 291.373 -1.749 20 0 CAADLO CO[C@H](C)C(=O)N[C@@H](C)C1C[NH+](CC(=O)NC(N)=O)C1 ZINC001409850444 889646707 /nfs/dbraw/zinc/64/67/07/889646707.db2.gz NPKRNMGXXVVKQA-JGVFFNPUSA-N 1 2 286.332 -1.347 20 0 CAADLO C[C@H](O)C[NH+]1CC(CCO)(NC(=O)c2cnnn2C)C1 ZINC001409706639 889646824 /nfs/dbraw/zinc/64/68/24/889646824.db2.gz MWPCQMKIVXZCSN-VIFPVBQESA-N 1 2 283.332 -1.638 20 0 CAADLO CNC(=O)C[NH+]1CC([C@@H](C)NC(=O)C[C@@H]2CCC(=O)N2)C1 ZINC001409906585 889647820 /nfs/dbraw/zinc/64/78/20/889647820.db2.gz JTCBREQSWWKAPP-KOLCDFICSA-N 1 2 296.371 -1.162 20 0 CAADLO CNC(=O)C[NH+]1CC([C@H](C)NC(=O)CCn2cnnn2)C1 ZINC001409924884 889648710 /nfs/dbraw/zinc/64/87/10/889648710.db2.gz HPIFUBMXGUEAFI-VIFPVBQESA-N 1 2 295.347 -1.754 20 0 CAADLO CNC(=O)C[NH+]1CC([C@H](C)NC(=O)C[C@@H]2CCC(=O)N2)C1 ZINC001409906619 889648947 /nfs/dbraw/zinc/64/89/47/889648947.db2.gz JTCBREQSWWKAPP-ONGXEEELSA-N 1 2 296.371 -1.162 20 0 CAADLO C[C@@H](NC(=O)Cn1ncn(C)c1=O)C1C[NH+](CC(N)=O)C1 ZINC001409910380 889649432 /nfs/dbraw/zinc/64/94/32/889649432.db2.gz KTZOMPKEEWUVPL-MRVPVSSYSA-N 1 2 296.331 -2.496 20 0 CAADLO C[C@H](NC(=O)Cn1ncn(C)c1=O)C1C[NH+](CC(N)=O)C1 ZINC001409910437 889649858 /nfs/dbraw/zinc/64/98/58/889649858.db2.gz KTZOMPKEEWUVPL-QMMMGPOBSA-N 1 2 296.331 -2.496 20 0 CAADLO CC[C@H](NC(C)=O)C(=O)N[C@@H](C)C1C[NH+](CC(N)=O)C1 ZINC001409927270 889649917 /nfs/dbraw/zinc/64/99/17/889649917.db2.gz RABYVJBCWIMOFN-KWQFWETISA-N 1 2 284.360 -1.177 20 0 CAADLO CC(=O)N(C)CC(=O)N[C@@H]1C[N@H+](CC(N)=O)CC1(C)C ZINC001409990610 889649927 /nfs/dbraw/zinc/64/99/27/889649927.db2.gz HLBKEPGABUEQIP-SNVBAGLBSA-N 1 2 284.360 -1.223 20 0 CAADLO CC(=O)N(C)CC(=O)N[C@@H]1C[N@@H+](CC(N)=O)CC1(C)C ZINC001409990610 889649931 /nfs/dbraw/zinc/64/99/31/889649931.db2.gz HLBKEPGABUEQIP-SNVBAGLBSA-N 1 2 284.360 -1.223 20 0 CAADLO C[C@H](CC(=O)N[C@H]1C[N@H+](CC(N)=O)CC1(C)C)NC(N)=O ZINC001410021818 889650304 /nfs/dbraw/zinc/65/03/04/889650304.db2.gz PVKKBTAWYLNBDL-BDAKNGLRSA-N 1 2 299.375 -1.255 20 0 CAADLO C[C@H](CC(=O)N[C@H]1C[N@@H+](CC(N)=O)CC1(C)C)NC(N)=O ZINC001410021818 889650309 /nfs/dbraw/zinc/65/03/09/889650309.db2.gz PVKKBTAWYLNBDL-BDAKNGLRSA-N 1 2 299.375 -1.255 20 0 CAADLO CNC(=O)C[NH+]1CC([C@H](C)NC(=O)C[C@H]2CCC(=O)N2)C1 ZINC001409906545 889650667 /nfs/dbraw/zinc/65/06/67/889650667.db2.gz JTCBREQSWWKAPP-GXSJLCMTSA-N 1 2 296.371 -1.162 20 0 CAADLO COCCC(=O)NC[C@@H](O)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001410082845 889658390 /nfs/dbraw/zinc/65/83/90/889658390.db2.gz ZWFGDYGZXQMLRN-SECBINFHSA-N 1 2 284.316 -1.418 20 0 CAADLO CO[C@H](C)C(=O)NC[C@@H](O)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001410086764 889658516 /nfs/dbraw/zinc/65/85/16/889658516.db2.gz NSAWLGHRZGZXHU-BDAKNGLRSA-N 1 2 284.316 -1.420 20 0 CAADLO C[C@H](CNC(=O)CNC(N)=O)NC(=O)Cc1c[nH+]cn1C ZINC001410262391 889667633 /nfs/dbraw/zinc/66/76/33/889667633.db2.gz YHDHOVIXHPUQNU-MRVPVSSYSA-N 1 2 296.331 -1.748 20 0 CAADLO COCCC(=O)NC[C@H](CO)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001410508462 889676583 /nfs/dbraw/zinc/67/65/83/889676583.db2.gz CFFOXFJFYSVDER-MRVPVSSYSA-N 1 2 287.320 -2.288 20 0 CAADLO C[C@@H](CNC(=O)Cn1cc[nH+]c1)NC(=O)[C@@H]1CNC(=O)N1 ZINC001410451596 889678289 /nfs/dbraw/zinc/67/82/89/889678289.db2.gz MJHONFYVAOXJDJ-IUCAKERBSA-N 1 2 294.315 -1.815 20 0 CAADLO COCCC(=O)NC[C@@H](CO)[NH2+][C@H](C)c1nnnn1C ZINC001410539990 889679736 /nfs/dbraw/zinc/67/97/36/889679736.db2.gz ZJYHOLMKWNJMRT-BDAKNGLRSA-N 1 2 286.336 -1.626 20 0 CAADLO COCC(=O)NC[C@H](CO)[NH2+]Cc1nnc2n1CCOC2 ZINC001410517266 889679793 /nfs/dbraw/zinc/67/97/93/889679793.db2.gz IKFOJRNRVFAWLJ-SECBINFHSA-N 1 2 299.331 -1.979 20 0 CAADLO Cn1ncnc1C[NH2+][C@H](CO)CNC(=O)c1cnccn1 ZINC001410563823 889679874 /nfs/dbraw/zinc/67/98/74/889679874.db2.gz UNQKUBCOOLBPPX-VIFPVBQESA-N 1 2 291.315 -1.514 20 0 CAADLO Cn1ncc(C[NH2+][C@@H](CO)CNC(=O)C2=COCCO2)n1 ZINC001410558210 889680010 /nfs/dbraw/zinc/68/00/10/889680010.db2.gz OWXXYTKJWWLELB-SNVBAGLBSA-N 1 2 297.315 -1.730 20 0 CAADLO Cc1cc(C(=O)NC[C@@H](CO)[NH2+]Cc2cn(C)nn2)on1 ZINC001410558979 889680442 /nfs/dbraw/zinc/68/04/42/889680442.db2.gz BFLQVJCWKABLPX-JTQLQIEISA-N 1 2 294.315 -1.008 20 0 CAADLO CC(=O)N[C@@H](C)C(=O)NC[C@H](CO)[NH2+]Cc1ncnn1C ZINC001410554175 889680540 /nfs/dbraw/zinc/68/05/40/889680540.db2.gz LLHSASJXNYXXIJ-WCBMZHEXSA-N 1 2 298.347 -2.094 20 0 CAADLO COCCC(=O)NC[C@H](CO)[NH2+]Cc1cnn(C)n1 ZINC001410519552 889681255 /nfs/dbraw/zinc/68/12/55/889681255.db2.gz KQOYYWCUXZKCRE-SNVBAGLBSA-N 1 2 271.321 -1.582 20 0 CAADLO Cn1nnnc1C[NH2+][C@H](CO)CNC(=O)[C@@H]1CCOC1 ZINC001410573135 889682599 /nfs/dbraw/zinc/68/25/99/889682599.db2.gz DSLVSGCVMYAJHU-BDAKNGLRSA-N 1 2 284.320 -2.187 20 0 CAADLO Cn1[nH]c(C[NH2+][C@@H](CO)CNC(=O)c2ccoc2)nc1=O ZINC001410567606 889683062 /nfs/dbraw/zinc/68/30/62/889683062.db2.gz JMGONEQFGJCEKB-SECBINFHSA-N 1 2 295.299 -1.418 20 0 CAADLO Cn1ncnc1C[NH2+][C@@H](CO)CNC(=O)c1cnns1 ZINC001410575803 889683299 /nfs/dbraw/zinc/68/32/99/889683299.db2.gz GDHVQQAGTVOBGX-SSDOTTSWSA-N 1 2 297.344 -1.453 20 0 CAADLO CO[C@@H](C)C(=O)NC[C@H](CO)[NH2+]Cc1nnc(C)[nH]1 ZINC001410572748 889683847 /nfs/dbraw/zinc/68/38/47/889683847.db2.gz AXUABKGGBVUHES-IONNQARKSA-N 1 2 271.321 -1.285 20 0 CAADLO Cn1ncnc1C[NH2+][C@H](CO)CNC(=O)c1ccnn1C ZINC001410570935 889684431 /nfs/dbraw/zinc/68/44/31/889684431.db2.gz AOMOWTJTTILEMX-VIFPVBQESA-N 1 2 293.331 -1.571 20 0 CAADLO Cc1ncc(C(=O)NC[C@@H](CO)[NH2+]Cc2nncn2C)[nH]1 ZINC001410579857 889684518 /nfs/dbraw/zinc/68/45/18/889684518.db2.gz DIZHXXKIZOXJIF-VIFPVBQESA-N 1 2 293.331 -1.273 20 0 CAADLO C[C@@H](C(=O)NC[C@@H](CO)[NH2+]Cc1nnnn1C)C1CC1 ZINC001410580177 889684562 /nfs/dbraw/zinc/68/45/62/889684562.db2.gz LXCKGVFYAUJPAO-SCZZXKLOSA-N 1 2 282.348 -1.177 20 0 CAADLO C[C@H](C(=O)NC[C@@H](CO)[NH2+]Cc1nnnn1C)C1CC1 ZINC001410580192 889684877 /nfs/dbraw/zinc/68/48/77/889684877.db2.gz LXCKGVFYAUJPAO-WPRPVWTQSA-N 1 2 282.348 -1.177 20 0 CAADLO Cn1cc(C[NH2+][C@@H](CO)CNC(=O)[C@@H]2CCCOC2)nn1 ZINC001410578229 889684961 /nfs/dbraw/zinc/68/49/61/889684961.db2.gz ILTCPDDSWDPYFD-ZYHUDNBSSA-N 1 2 297.359 -1.192 20 0 CAADLO Cn1cc(C[NH2+][C@H](CO)CNC(=O)[C@@H]2CCOC2)nn1 ZINC001410585276 889685980 /nfs/dbraw/zinc/68/59/80/889685980.db2.gz NJBDIRIDRDBETL-KOLCDFICSA-N 1 2 283.332 -1.582 20 0 CAADLO CCC(=O)NCC(=O)NC[C@H](CO)[NH2+]Cc1ncnn1C ZINC001410592684 889687005 /nfs/dbraw/zinc/68/70/05/889687005.db2.gz RBWAURAVTNKGNM-SECBINFHSA-N 1 2 298.347 -2.092 20 0 CAADLO COC[C@H](C)C(=O)NC[C@H](CO)[NH2+]Cc1nncn1C ZINC001410587480 889687212 /nfs/dbraw/zinc/68/72/12/889687212.db2.gz PLDKTDIVWQVMQF-VHSXEESVSA-N 1 2 285.348 -1.336 20 0 CAADLO Cn1ncc(C[NH2+][C@@H](CO)CNC(=O)c2cnns2)n1 ZINC001410584182 889687241 /nfs/dbraw/zinc/68/72/41/889687241.db2.gz OVODUFQWGRIVRU-MRVPVSSYSA-N 1 2 297.344 -1.453 20 0 CAADLO CCC(=O)NCC(=O)NC[C@@H](CO)[NH2+]Cc1cn(C)nn1 ZINC001410594286 889687316 /nfs/dbraw/zinc/68/73/16/889687316.db2.gz SSTBZULSGUOCDA-JTQLQIEISA-N 1 2 298.347 -2.092 20 0 CAADLO Cn1[nH]c(C[NH2+][C@@H](CO)CNC(=O)C2=CCCC2)nc1=O ZINC001410581841 889687791 /nfs/dbraw/zinc/68/77/91/889687791.db2.gz BOLBYPJOIDJMQK-SNVBAGLBSA-N 1 2 295.343 -1.215 20 0 CAADLO COC[C@H](C)C(=O)NC[C@@H](CO)[NH2+]Cc1nncn1C ZINC001410587476 889688264 /nfs/dbraw/zinc/68/82/64/889688264.db2.gz PLDKTDIVWQVMQF-UWVGGRQHSA-N 1 2 285.348 -1.336 20 0 CAADLO Cn1ncc(C[NH2+][C@H](CO)CNC(=O)c2cnns2)n1 ZINC001410584190 889688415 /nfs/dbraw/zinc/68/84/15/889688415.db2.gz OVODUFQWGRIVRU-QMMMGPOBSA-N 1 2 297.344 -1.453 20 0 CAADLO Cc1nnc(C[NH2+][C@@H](CO)CNC(=O)c2ncc[nH]2)[nH]1 ZINC001410630362 889689684 /nfs/dbraw/zinc/68/96/84/889689684.db2.gz RWJHHSQNGWYVQX-MRVPVSSYSA-N 1 2 279.304 -1.283 20 0 CAADLO Cn1ncc(C[NH2+][C@H](CO)CNC(=O)[C@@H]2COC(=O)N2)n1 ZINC001410625505 889690333 /nfs/dbraw/zinc/69/03/33/889690333.db2.gz DRPOWLAWHRCIIZ-IUCAKERBSA-N 1 2 298.303 -2.510 20 0 CAADLO C[C@H]([NH2+][C@H](CO)CNC(=O)c1ncc[nH]1)c1nncn1C ZINC001410626847 889690727 /nfs/dbraw/zinc/69/07/27/889690727.db2.gz PVEYWAKNJBXQFM-IUCAKERBSA-N 1 2 293.331 -1.020 20 0 CAADLO C[C@@H]([NH2+][C@H](CO)CNC(=O)c1ncc[nH]1)c1nncn1C ZINC001410626814 889690794 /nfs/dbraw/zinc/69/07/94/889690794.db2.gz PVEYWAKNJBXQFM-BDAKNGLRSA-N 1 2 293.331 -1.020 20 0 CAADLO CCn1ncnc1C[NH2+][C@@H](CO)CNC(=O)c1ncc[nH]1 ZINC001410612115 889690919 /nfs/dbraw/zinc/69/09/19/889690919.db2.gz DNGTZAPYGOATTC-SECBINFHSA-N 1 2 293.331 -1.098 20 0 CAADLO Cn1ncc(C[NH2+][C@H](CO)CNC(=O)[C@H]2COC(=O)N2)n1 ZINC001410625496 889691621 /nfs/dbraw/zinc/69/16/21/889691621.db2.gz DRPOWLAWHRCIIZ-DTWKUNHWSA-N 1 2 298.303 -2.510 20 0 CAADLO C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](CO)[NH2+]Cc1n[nH]c(=O)[n-]1 ZINC001410599803 889691650 /nfs/dbraw/zinc/69/16/50/889691650.db2.gz YTMXCVIFFCXHPW-RKDXNWHRSA-N 1 2 298.347 -1.829 20 0 CAADLO C[N@H+]1CCC[C@@H]1C(=O)NC[C@H](CO)[NH2+]Cc1n[nH]c(=O)[n-]1 ZINC001410599803 889691653 /nfs/dbraw/zinc/69/16/53/889691653.db2.gz YTMXCVIFFCXHPW-RKDXNWHRSA-N 1 2 298.347 -1.829 20 0 CAADLO CCn1cc(C[NH2+][C@H](CO)CNC(=O)[C@@H]2CCOC2)nn1 ZINC001410597623 889691982 /nfs/dbraw/zinc/69/19/82/889691982.db2.gz ZYGGVTJJHDVVMN-PWSUYJOCSA-N 1 2 297.359 -1.099 20 0 CAADLO C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](CO)[NH2+]Cc1n[nH]c(=O)[n-]1 ZINC001410599801 889692529 /nfs/dbraw/zinc/69/25/29/889692529.db2.gz YTMXCVIFFCXHPW-IUCAKERBSA-N 1 2 298.347 -1.829 20 0 CAADLO C[N@H+]1CCC[C@H]1C(=O)NC[C@@H](CO)[NH2+]Cc1n[nH]c(=O)[n-]1 ZINC001410599801 889692540 /nfs/dbraw/zinc/69/25/40/889692540.db2.gz YTMXCVIFFCXHPW-IUCAKERBSA-N 1 2 298.347 -1.829 20 0 CAADLO Cc1nnc(C[NH2+][C@H](CO)CNC(=O)c2ncc[nH]2)[nH]1 ZINC001410630364 889692619 /nfs/dbraw/zinc/69/26/19/889692619.db2.gz RWJHHSQNGWYVQX-QMMMGPOBSA-N 1 2 279.304 -1.283 20 0 CAADLO Cn1ncc(C[NH2+][C@@H](CO)CNC(=O)[C@]23C[C@H]2COC3)n1 ZINC001410645434 889694008 /nfs/dbraw/zinc/69/40/08/889694008.db2.gz YOEYZDACXOTGDA-NDMJEZRESA-N 1 2 295.343 -1.582 20 0 CAADLO CNC(=O)NCC(=O)NC[C@@H](CO)[NH2+]Cc1cnn(C)n1 ZINC001410656700 889694147 /nfs/dbraw/zinc/69/41/47/889694147.db2.gz SMBAWLZHWXVKDF-VIFPVBQESA-N 1 2 299.335 -2.689 20 0 CAADLO Cc1nc(C[NH2+][C@H](CO)CNC(=O)c2cn(C)nn2)co1 ZINC001410651140 889695261 /nfs/dbraw/zinc/69/52/61/889695261.db2.gz WLKUEACRPGYVCI-VIFPVBQESA-N 1 2 294.315 -1.008 20 0 CAADLO Cc1cc(C[NH2+][C@H](CO)CNC(=O)c2cn(C)nn2)no1 ZINC001410645901 889695880 /nfs/dbraw/zinc/69/58/80/889695880.db2.gz RHKHLWWUWFDCLP-JTQLQIEISA-N 1 2 294.315 -1.008 20 0 CAADLO Cc1n[nH]cc1C(=O)NC[C@H](CO)[NH2+]Cc1ncnn1C ZINC001410696232 889700917 /nfs/dbraw/zinc/70/09/17/889700917.db2.gz IKJBGEKBPIXXIJ-SECBINFHSA-N 1 2 293.331 -1.273 20 0 CAADLO C[C@@H](CC(N)=O)C(=O)NC[C@@H](CO)[NH2+]Cc1ccon1 ZINC001410705616 889701946 /nfs/dbraw/zinc/70/19/46/889701946.db2.gz ONUSAAGVPVWWMF-WPRPVWTQSA-N 1 2 284.316 -1.247 20 0 CAADLO Cn1[nH]c(C[NH2+][C@H](CO)CNC(=O)C2(C)CCC2)nc1=O ZINC001410696969 889702386 /nfs/dbraw/zinc/70/23/86/889702386.db2.gz HLGBICASXPLOSQ-VIFPVBQESA-N 1 2 297.359 -1.135 20 0 CAADLO Cn1[nH]c(C[NH2+][C@@H](CO)CNC(=O)C2(C)CCC2)nc1=O ZINC001410696968 889703486 /nfs/dbraw/zinc/70/34/86/889703486.db2.gz HLGBICASXPLOSQ-SECBINFHSA-N 1 2 297.359 -1.135 20 0 CAADLO Cn1cnnc1C[NH2+][C@@H](CO)CNC(=O)c1cncn1C ZINC001410694928 889703837 /nfs/dbraw/zinc/70/38/37/889703837.db2.gz UQWRVFQELHIWFK-SECBINFHSA-N 1 2 293.331 -1.571 20 0 CAADLO Cc1n[nH]cc1C(=O)NC[C@H](CO)[NH2+]Cc1nnnn1C ZINC001410695800 889703953 /nfs/dbraw/zinc/70/39/53/889703953.db2.gz HMINARQNKDGEMN-MRVPVSSYSA-N 1 2 294.319 -1.878 20 0 CAADLO CCO[C@@H](C)C(=O)NC[C@H](CO)[NH2+]Cc1nncn1C ZINC001410720241 889705640 /nfs/dbraw/zinc/70/56/40/889705640.db2.gz PZQYZFJYCBUEFV-VHSXEESVSA-N 1 2 285.348 -1.193 20 0 CAADLO Cn1nnnc1C[NH2+][C@H](CO)CNC(=O)CC(C)(F)F ZINC001410728632 889705678 /nfs/dbraw/zinc/70/56/78/889705678.db2.gz LZTDVENAUJWQPF-ZETCQYMHSA-N 1 2 292.290 -1.178 20 0 CAADLO CN1C[C@@H](C(=O)NC[C@H](CO)[NH2+]Cc2ccon2)NC1=O ZINC001410715240 889706339 /nfs/dbraw/zinc/70/63/39/889706339.db2.gz WZPQVJDPVCSNFU-ZJUUUORDSA-N 1 2 297.315 -1.735 20 0 CAADLO O=C(NC[C@@H](CO)[NH2+]Cc1nccs1)[C@H]1CNC(=O)N1 ZINC001410716030 889706799 /nfs/dbraw/zinc/70/67/99/889706799.db2.gz CDKFPRYQSVEPHI-JGVFFNPUSA-N 1 2 299.356 -1.609 20 0 CAADLO O=C(NC[C@H](CO)[NH2+]Cc1nccs1)[C@H]1CNC(=O)N1 ZINC001410716029 889707332 /nfs/dbraw/zinc/70/73/32/889707332.db2.gz CDKFPRYQSVEPHI-HTQZYQBOSA-N 1 2 299.356 -1.609 20 0 CAADLO Cn1nccc1C[NH2+][C@@H](CO)CNC(=O)c1ncn[nH]1 ZINC001410766680 889708724 /nfs/dbraw/zinc/70/87/24/889708724.db2.gz GZONHBUXRHAEBB-MRVPVSSYSA-N 1 2 279.304 -1.581 20 0 CAADLO Cn1nccc1C[NH2+][C@@H](CO)CNC(=O)c1nc[nH]n1 ZINC001410766680 889708736 /nfs/dbraw/zinc/70/87/36/889708736.db2.gz GZONHBUXRHAEBB-MRVPVSSYSA-N 1 2 279.304 -1.581 20 0 CAADLO Cn1nnc(CN[C@@H](CO)CNC(=O)Cc2[nH]cc[nH+]2)n1 ZINC001410764825 889709019 /nfs/dbraw/zinc/70/90/19/889709019.db2.gz SQUPSRUMLNWGTB-MRVPVSSYSA-N 1 2 294.319 -2.257 20 0 CAADLO COc1cc(C[NH2+][C@H](CO)CNC(=O)c2cnon2)on1 ZINC001410767600 889709152 /nfs/dbraw/zinc/70/91/52/889709152.db2.gz HIBATYVDEQCQRW-ZETCQYMHSA-N 1 2 297.271 -1.053 20 0 CAADLO CNC(=O)[C@@H](C)[NH2+][C@H](CO)CNC(=O)Cc1nnc[nH]1 ZINC001410756990 889709345 /nfs/dbraw/zinc/70/93/45/889709345.db2.gz APZYYNRDOYMVLT-SFYZADRCSA-N 1 2 284.320 -2.452 20 0 CAADLO O=C(NC[C@@H](CO)[NH2+]Cc1ccon1)[C@H]1CNC(=O)N1 ZINC001410733583 889709971 /nfs/dbraw/zinc/70/99/71/889709971.db2.gz UAFRVEWGGDDVRZ-DTWKUNHWSA-N 1 2 283.288 -2.077 20 0 CAADLO Cn1nnc(CN[C@H](CO)CNC(=O)Cc2[nH]cc[nH+]2)n1 ZINC001410764828 889710280 /nfs/dbraw/zinc/71/02/80/889710280.db2.gz SQUPSRUMLNWGTB-QMMMGPOBSA-N 1 2 294.319 -2.257 20 0 CAADLO CNC(=O)[C@H](C)[NH2+][C@@H](CO)CNC(=O)Cc1nnc[nH]1 ZINC001410756988 889710501 /nfs/dbraw/zinc/71/05/01/889710501.db2.gz APZYYNRDOYMVLT-JGVFFNPUSA-N 1 2 284.320 -2.452 20 0 CAADLO Cn1cnnc1C[NH2+][C@@H](CO)CNC(=O)c1n[nH]cc1F ZINC001410738205 889710567 /nfs/dbraw/zinc/71/05/67/889710567.db2.gz WZFDKIMMCLUJEE-SSDOTTSWSA-N 1 2 297.294 -1.442 20 0 CAADLO Cn1nccc1C[NH2+][C@H](CO)CNC(=O)c1ncn[nH]1 ZINC001410766690 889711366 /nfs/dbraw/zinc/71/13/66/889711366.db2.gz GZONHBUXRHAEBB-QMMMGPOBSA-N 1 2 279.304 -1.581 20 0 CAADLO Cn1nccc1C[NH2+][C@H](CO)CNC(=O)c1nc[nH]n1 ZINC001410766690 889711380 /nfs/dbraw/zinc/71/13/80/889711380.db2.gz GZONHBUXRHAEBB-QMMMGPOBSA-N 1 2 279.304 -1.581 20 0 CAADLO Cc1cc(C[NH2+][C@H](CO)CNC(=O)Cc2nc[nH]n2)no1 ZINC001410770516 889712740 /nfs/dbraw/zinc/71/27/40/889712740.db2.gz OEDOFOBVRMMTRW-JTQLQIEISA-N 1 2 294.315 -1.089 20 0 CAADLO Cn1cc(C[NH2+][C@H](CO)CNC(=O)c2cccnn2)nn1 ZINC001410783606 889713226 /nfs/dbraw/zinc/71/32/26/889713226.db2.gz YKOVGOYZEOPLIU-JTQLQIEISA-N 1 2 291.315 -1.514 20 0 CAADLO O=C(Cc1nnc[nH]1)NC[C@@H](CO)[NH2+][C@H]1CCNC1=O ZINC001410773250 889713459 /nfs/dbraw/zinc/71/34/59/889713459.db2.gz RQQHCDFRGQBVET-YUMQZZPRSA-N 1 2 282.304 -2.698 20 0 CAADLO Cn1cc(C[NH2+][C@@H](CO)CNC(=O)c2cccnn2)nn1 ZINC001410783612 889715244 /nfs/dbraw/zinc/71/52/44/889715244.db2.gz YKOVGOYZEOPLIU-SNVBAGLBSA-N 1 2 291.315 -1.514 20 0 CAADLO Cc1cc(C[NH2+][C@@H](CO)CNC(=O)Cn2cncn2)no1 ZINC001410785840 889718412 /nfs/dbraw/zinc/71/84/12/889718412.db2.gz UJXFJIIUHHWDOP-LLVKDONJSA-N 1 2 294.315 -1.159 20 0 CAADLO O=C(Cn1cc[nH+]c1)NC[C@@H](CO)NCc1cnon1 ZINC001410806250 889718602 /nfs/dbraw/zinc/71/86/02/889718602.db2.gz AKVKFFJTOAEGSF-JTQLQIEISA-N 1 2 280.288 -1.467 20 0 CAADLO Cc1conc1C[NH2+][C@@H](CO)CNC(=O)Cn1cncn1 ZINC001410787211 889719624 /nfs/dbraw/zinc/71/96/24/889719624.db2.gz WIEJMZDMMQOFME-SNVBAGLBSA-N 1 2 294.315 -1.159 20 0 CAADLO CNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)Cc1ncn[nH]1 ZINC001411147956 889733758 /nfs/dbraw/zinc/73/37/58/889733758.db2.gz PRFHCDULTPCBHW-MRVPVSSYSA-N 1 2 284.320 -2.498 20 0 CAADLO COCC(=O)N(C)C[C@@H](O)C[N@H+](C)Cc1cnnn1C ZINC001411122510 889733466 /nfs/dbraw/zinc/73/34/66/889733466.db2.gz HYQMIMVDXHEWHW-NSHDSACASA-N 1 2 285.348 -1.287 20 0 CAADLO COCC(=O)N(C)C[C@@H](O)C[N@@H+](C)Cc1cnnn1C ZINC001411122510 889733475 /nfs/dbraw/zinc/73/34/75/889733475.db2.gz HYQMIMVDXHEWHW-NSHDSACASA-N 1 2 285.348 -1.287 20 0 CAADLO CNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)Cc1ncn[nH]1 ZINC001411147974 889733936 /nfs/dbraw/zinc/73/39/36/889733936.db2.gz PRFHCDULTPCBHW-QMMMGPOBSA-N 1 2 284.320 -2.498 20 0 CAADLO CN(C[C@@H](O)C[N@H+](C)CC(N)=O)C(=O)c1ncccc1O ZINC001411165332 889739102 /nfs/dbraw/zinc/73/91/02/889739102.db2.gz UTWIULZVKZYFMS-VIFPVBQESA-N 1 2 296.327 -1.363 20 0 CAADLO CN(C[C@@H](O)C[N@@H+](C)CC(N)=O)C(=O)c1ncccc1O ZINC001411165332 889739108 /nfs/dbraw/zinc/73/91/08/889739108.db2.gz UTWIULZVKZYFMS-VIFPVBQESA-N 1 2 296.327 -1.363 20 0 CAADLO CN(C[C@H](O)C[N@H+](C)CC(N)=O)C(=O)c1ncccc1O ZINC001411165330 889740118 /nfs/dbraw/zinc/74/01/18/889740118.db2.gz UTWIULZVKZYFMS-SECBINFHSA-N 1 2 296.327 -1.363 20 0 CAADLO CN(C[C@H](O)C[N@@H+](C)CC(N)=O)C(=O)c1ncccc1O ZINC001411165330 889740132 /nfs/dbraw/zinc/74/01/32/889740132.db2.gz UTWIULZVKZYFMS-SECBINFHSA-N 1 2 296.327 -1.363 20 0 CAADLO Cc1ncc(C(=O)N(C)C[C@H](O)C[N@@H+](C)[C@H](C)C(N)=O)[nH]1 ZINC001411162153 889740193 /nfs/dbraw/zinc/74/01/93/889740193.db2.gz HZBNHSBHFKHVDP-PSASIEDQSA-N 1 2 297.359 -1.043 20 0 CAADLO Cc1ncc(C(=O)N(C)C[C@H](O)C[N@H+](C)[C@H](C)C(N)=O)[nH]1 ZINC001411162153 889740198 /nfs/dbraw/zinc/74/01/98/889740198.db2.gz HZBNHSBHFKHVDP-PSASIEDQSA-N 1 2 297.359 -1.043 20 0 CAADLO COCC[N@@H+](CCNC(=O)[C@H]1CO[C@@H](C)C1)CC(N)=O ZINC001411226526 889743197 /nfs/dbraw/zinc/74/31/97/889743197.db2.gz JOWZDNJSSXDYCY-WDEREUQCSA-N 1 2 287.360 -1.039 20 0 CAADLO COCC[N@H+](CCNC(=O)[C@H]1CO[C@@H](C)C1)CC(N)=O ZINC001411226526 889743195 /nfs/dbraw/zinc/74/31/95/889743195.db2.gz JOWZDNJSSXDYCY-WDEREUQCSA-N 1 2 287.360 -1.039 20 0 CAADLO CNC(=O)C[N@H+](CCNC(=O)c1cccnn1)CCOC ZINC001411223480 889744115 /nfs/dbraw/zinc/74/41/15/889744115.db2.gz BTQYETBHAVYWPP-UHFFFAOYSA-N 1 2 295.343 -1.099 20 0 CAADLO CNC(=O)C[N@@H+](CCNC(=O)c1cccnn1)CCOC ZINC001411223480 889744126 /nfs/dbraw/zinc/74/41/26/889744126.db2.gz BTQYETBHAVYWPP-UHFFFAOYSA-N 1 2 295.343 -1.099 20 0 CAADLO CNC(=O)C[N@H+](CCNC(=O)[C@]12C[C@H]1COC2)CCOC ZINC001411226171 889744811 /nfs/dbraw/zinc/74/48/11/889744811.db2.gz IRDKFHIIXPIFBK-FZMZJTMJSA-N 1 2 299.371 -1.167 20 0 CAADLO CNC(=O)C[N@@H+](CCNC(=O)[C@]12C[C@H]1COC2)CCOC ZINC001411226171 889744820 /nfs/dbraw/zinc/74/48/20/889744820.db2.gz IRDKFHIIXPIFBK-FZMZJTMJSA-N 1 2 299.371 -1.167 20 0 CAADLO Cc1c[nH+]cc(C)c1NC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001411533679 889751045 /nfs/dbraw/zinc/75/10/45/889751045.db2.gz CSIPBSYVSHCXQE-VIFPVBQESA-N 1 2 297.336 -1.028 20 0 CAADLO NC(=O)C[N@@H+]1CCCN(C(=O)Cn2nnc(N)n2)CC1 ZINC001411761542 889763389 /nfs/dbraw/zinc/76/33/89/889763389.db2.gz OCJMTDNLLAKVKV-UHFFFAOYSA-N 1 2 282.308 -2.725 20 0 CAADLO NC(=O)C[N@H+]1CCCN(C(=O)Cn2nnc(N)n2)CC1 ZINC001411761542 889763401 /nfs/dbraw/zinc/76/34/01/889763401.db2.gz OCJMTDNLLAKVKV-UHFFFAOYSA-N 1 2 282.308 -2.725 20 0 CAADLO NC(=O)C[N@@H+]1CCCN(C(=O)Cn2nccc2N)CC1 ZINC001411758767 889764982 /nfs/dbraw/zinc/76/49/82/889764982.db2.gz HNCLHGJSGYNEFV-UHFFFAOYSA-N 1 2 280.332 -1.515 20 0 CAADLO NC(=O)C[N@H+]1CCCN(C(=O)Cn2nccc2N)CC1 ZINC001411758767 889764996 /nfs/dbraw/zinc/76/49/96/889764996.db2.gz HNCLHGJSGYNEFV-UHFFFAOYSA-N 1 2 280.332 -1.515 20 0 CAADLO Cc1nn(CC(=O)N[C@@H]2CCC[N@H+](CC(N)=O)C2)c(=O)o1 ZINC001411768095 889765461 /nfs/dbraw/zinc/76/54/61/889765461.db2.gz OHCQKNYTILEPCQ-SECBINFHSA-N 1 2 297.315 -1.789 20 0 CAADLO Cc1nn(CC(=O)N[C@@H]2CCC[N@@H+](CC(N)=O)C2)c(=O)o1 ZINC001411768095 889765469 /nfs/dbraw/zinc/76/54/69/889765469.db2.gz OHCQKNYTILEPCQ-SECBINFHSA-N 1 2 297.315 -1.789 20 0 CAADLO C[C@H](NC(=O)[C@H](CO)NC(N)=O)[C@@H]1CN(C)CC[N@@H+]1C ZINC001411819487 889768552 /nfs/dbraw/zinc/76/85/52/889768552.db2.gz ZBKVUQOGACSYCO-GUBZILKMSA-N 1 2 287.364 -2.234 20 0 CAADLO C[C@H](NC(=O)[C@H](CO)NC(N)=O)[C@@H]1CN(C)CC[N@H+]1C ZINC001411819487 889768560 /nfs/dbraw/zinc/76/85/60/889768560.db2.gz ZBKVUQOGACSYCO-GUBZILKMSA-N 1 2 287.364 -2.234 20 0 CAADLO NC(=O)NCCC(=O)NC1CC[NH+]([C@H]2CCOC2=O)CC1 ZINC001411954556 889777406 /nfs/dbraw/zinc/77/74/06/889777406.db2.gz ONAQZMASGACDLD-JTQLQIEISA-N 1 2 298.343 -1.059 20 0 CAADLO C[C@H](NC(N)=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2=O)CC1 ZINC001411954767 889778401 /nfs/dbraw/zinc/77/84/01/889778401.db2.gz QALKQQNVWUFTPK-WCBMZHEXSA-N 1 2 298.343 -1.061 20 0 CAADLO CC(=O)N[C@@H](CC(=O)NCCc1c[nH+]cn1C)C(N)=O ZINC001412014993 889780593 /nfs/dbraw/zinc/78/05/93/889780593.db2.gz JJUHUKXNKVIFKY-JTQLQIEISA-N 1 2 281.316 -1.541 20 0 CAADLO CC[C@H](C(=O)NC[C@]1(O)CCS(=O)(=O)C1)[NH+](C)C ZINC001412137167 889794269 /nfs/dbraw/zinc/79/42/69/889794269.db2.gz LAVWULWCXIVZPM-MWLCHTKSSA-N 1 2 278.374 -1.008 20 0 CAADLO NC(=O)Cn1cc(C(=O)N2CC[N@@H+]3C[C@@H](F)C[C@H]3C2)nn1 ZINC001412169509 889795613 /nfs/dbraw/zinc/79/56/13/889795613.db2.gz GSJGHWICJRDXBQ-IUCAKERBSA-N 1 2 296.306 -1.368 20 0 CAADLO NC(=O)Cn1cc(C(=O)N2CC[N@H+]3C[C@@H](F)C[C@H]3C2)nn1 ZINC001412169509 889795619 /nfs/dbraw/zinc/79/56/19/889795619.db2.gz GSJGHWICJRDXBQ-IUCAKERBSA-N 1 2 296.306 -1.368 20 0 CAADLO Cn1c[nH+]c(CCNC(=O)c2cn(CC(N)=O)nn2)c1 ZINC001412167940 889797014 /nfs/dbraw/zinc/79/70/14/889797014.db2.gz FCWNPFAHFIXLFF-UHFFFAOYSA-N 1 2 277.288 -1.531 20 0 CAADLO NC(=O)Cn1cc(C(=O)N[C@@H]2CCn3c[nH+]cc3C2)nn1 ZINC001412266578 889809622 /nfs/dbraw/zinc/80/96/22/889809622.db2.gz COCRUVWHVSYDQO-MRVPVSSYSA-N 1 2 289.299 -1.295 20 0 CAADLO C[C@@H](C(=O)NCc1nc(CO)n[nH]1)N1CC[NH+](C)CC1 ZINC001412362669 889815003 /nfs/dbraw/zinc/81/50/03/889815003.db2.gz HRCGBLVEGZKSLT-VIFPVBQESA-N 1 2 282.348 -1.451 20 0 CAADLO C[NH+](C)CCn1cc(C(=O)NCc2nnc(CO)[nH]2)cn1 ZINC001412370951 889818031 /nfs/dbraw/zinc/81/80/31/889818031.db2.gz GLMUEUVYBMHHII-UHFFFAOYSA-N 1 2 293.331 -1.015 20 0 CAADLO NC(=O)[C@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@H]1C(N)=O ZINC001412384843 889818958 /nfs/dbraw/zinc/81/89/58/889818958.db2.gz OGVVCKLLBVYISW-AOOOYVTPSA-N 1 2 293.327 -1.292 20 0 CAADLO Cn1c[nH+]cc1[C@@H](CO)NC(=O)c1cc(=O)n(C)cn1 ZINC001412374020 889818999 /nfs/dbraw/zinc/81/89/99/889818999.db2.gz GFFPKXQBCLGOGX-SECBINFHSA-N 1 2 277.284 -1.023 20 0 CAADLO C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)NCc1nc(O)cc(=O)[nH]1 ZINC001412373945 889819054 /nfs/dbraw/zinc/81/90/54/889819054.db2.gz GBDDKDCMWFVKPN-JMCQJSRRSA-N 1 2 282.300 -1.041 20 0 CAADLO C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)NCc1nc(O)cc(=O)[nH]1 ZINC001412373945 889819056 /nfs/dbraw/zinc/81/90/56/889819056.db2.gz GBDDKDCMWFVKPN-JMCQJSRRSA-N 1 2 282.300 -1.041 20 0 CAADLO CN(CC(=O)N[C@H](CO)c1c[nH+]cn1C)S(C)(=O)=O ZINC001412397504 889822354 /nfs/dbraw/zinc/82/23/54/889822354.db2.gz JLFXMULTRQFKQW-MRVPVSSYSA-N 1 2 290.345 -1.539 20 0 CAADLO C[C@H](CC(=O)N1CC(NS(N)(=O)=O)C1)n1cc[nH+]c1 ZINC001412402573 889822838 /nfs/dbraw/zinc/82/28/38/889822838.db2.gz OOHIPEAZRYHXFK-MRVPVSSYSA-N 1 2 287.345 -1.162 20 0 CAADLO NS(=O)(=O)N1CCC(NC(=O)Cn2cc[nH+]c2)CC1 ZINC001412404665 889825280 /nfs/dbraw/zinc/82/52/80/889825280.db2.gz DYRNXKGSOVYGFT-UHFFFAOYSA-N 1 2 287.345 -1.333 20 0 CAADLO O=C([C@H]1CCS(=O)(=O)N1)N1CC[NH2+][C@@H](c2cn[nH]c2)C1 ZINC001412419012 889826635 /nfs/dbraw/zinc/82/66/35/889826635.db2.gz PEBZCTWMCTWIBF-NXEZZACHSA-N 1 2 299.356 -1.426 20 0 CAADLO COCC(=O)NCCC(=O)N[C@@H](CO)c1c[nH+]cn1C ZINC001412413793 889827711 /nfs/dbraw/zinc/82/77/11/889827711.db2.gz XBTSGWDBGKTFGJ-VIFPVBQESA-N 1 2 284.316 -1.278 20 0 CAADLO O=C(CC1CS(=O)(=O)C1)NCC[N@H+]1CC[C@H](O)C1 ZINC001412413052 889828977 /nfs/dbraw/zinc/82/89/77/889828977.db2.gz VFMLKHSQJRVMRK-JTQLQIEISA-N 1 2 276.358 -1.396 20 0 CAADLO C[C@@H]1C[N@H+](CCNC(=O)[C@@H](CO)NC(N)=O)CCO1 ZINC001412488556 889838065 /nfs/dbraw/zinc/83/80/65/889838065.db2.gz JJLGOINTCPIBNC-RKDXNWHRSA-N 1 2 274.321 -2.148 20 0 CAADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H](C)NC(C)=O ZINC001412534808 889844568 /nfs/dbraw/zinc/84/45/68/889844568.db2.gz ADRMJTBLXACWEY-XCBNKYQSSA-N 1 2 281.316 -1.292 20 0 CAADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H](C)NC(C)=O ZINC001412534808 889844580 /nfs/dbraw/zinc/84/45/80/889844580.db2.gz ADRMJTBLXACWEY-XCBNKYQSSA-N 1 2 281.316 -1.292 20 0 CAADLO C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)N1CCO[C@H](c2nn[nH]n2)C1 ZINC001412534741 889846287 /nfs/dbraw/zinc/84/62/87/889846287.db2.gz QDNBDMJQJDSMRF-PTRXPTGYSA-N 1 2 296.331 -1.445 20 0 CAADLO C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)N1CCO[C@H](c2nn[nH]n2)C1 ZINC001412534741 889846302 /nfs/dbraw/zinc/84/63/02/889846302.db2.gz QDNBDMJQJDSMRF-PTRXPTGYSA-N 1 2 296.331 -1.445 20 0 CAADLO Cc1nn(CC(=O)N2CCC[N@H+](CC(N)=O)CC2)c(=O)o1 ZINC001412532217 889847089 /nfs/dbraw/zinc/84/70/89/889847089.db2.gz MBSNBRSDWQUOCU-UHFFFAOYSA-N 1 2 297.315 -1.836 20 0 CAADLO Cc1nn(CC(=O)N2CCC[N@@H+](CC(N)=O)CC2)c(=O)o1 ZINC001412532217 889847095 /nfs/dbraw/zinc/84/70/95/889847095.db2.gz MBSNBRSDWQUOCU-UHFFFAOYSA-N 1 2 297.315 -1.836 20 0 CAADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@](C)(O)COC ZINC001412546374 889848398 /nfs/dbraw/zinc/84/83/98/889848398.db2.gz QJZIPVAKBYCGOT-JOYOIKCWSA-N 1 2 284.316 -1.420 20 0 CAADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@](C)(O)COC ZINC001412546374 889848405 /nfs/dbraw/zinc/84/84/05/889848405.db2.gz QJZIPVAKBYCGOT-JOYOIKCWSA-N 1 2 284.316 -1.420 20 0 CAADLO CC[C@H]1COCC[N@@H+]1CCNC(=O)Cn1nnc(N)n1 ZINC001412559892 889848932 /nfs/dbraw/zinc/84/89/32/889848932.db2.gz OXIBXDLYJHHDOA-VIFPVBQESA-N 1 2 283.336 -1.518 20 0 CAADLO CC[C@H]1COCC[N@H+]1CCNC(=O)Cn1nnc(N)n1 ZINC001412559892 889848945 /nfs/dbraw/zinc/84/89/45/889848945.db2.gz OXIBXDLYJHHDOA-VIFPVBQESA-N 1 2 283.336 -1.518 20 0 CAADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@](C)(O)COC ZINC001412546370 889849065 /nfs/dbraw/zinc/84/90/65/889849065.db2.gz QJZIPVAKBYCGOT-CABZTGNLSA-N 1 2 284.316 -1.420 20 0 CAADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@](C)(O)COC ZINC001412546370 889849075 /nfs/dbraw/zinc/84/90/75/889849075.db2.gz QJZIPVAKBYCGOT-CABZTGNLSA-N 1 2 284.316 -1.420 20 0 CAADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H]1COCCO1 ZINC001412544520 889849161 /nfs/dbraw/zinc/84/91/61/889849161.db2.gz NRACKCYAMOOYPT-UWVGGRQHSA-N 1 2 282.300 -1.402 20 0 CAADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H]1COCCO1 ZINC001412544520 889849179 /nfs/dbraw/zinc/84/91/79/889849179.db2.gz NRACKCYAMOOYPT-UWVGGRQHSA-N 1 2 282.300 -1.402 20 0 CAADLO CN1CC[N@H+](C)C[C@@H]1CNC(=O)CC1C(=O)N=CNC1=O ZINC001412542164 889849580 /nfs/dbraw/zinc/84/95/80/889849580.db2.gz NGVSWFPWOAEOPO-VIFPVBQESA-N 1 2 295.343 -1.208 20 0 CAADLO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)CC1C(=O)N=CNC1=O ZINC001412542164 889849593 /nfs/dbraw/zinc/84/95/93/889849593.db2.gz NGVSWFPWOAEOPO-VIFPVBQESA-N 1 2 295.343 -1.208 20 0 CAADLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)Cn1nnc(N)n1 ZINC001412559847 889849777 /nfs/dbraw/zinc/84/97/77/889849777.db2.gz OXIBXDLYJHHDOA-SECBINFHSA-N 1 2 283.336 -1.518 20 0 CAADLO CC[C@@H]1COCC[N@H+]1CCNC(=O)Cn1nnc(N)n1 ZINC001412559847 889849787 /nfs/dbraw/zinc/84/97/87/889849787.db2.gz OXIBXDLYJHHDOA-SECBINFHSA-N 1 2 283.336 -1.518 20 0 CAADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CSCC(N)=O ZINC001412549615 889850175 /nfs/dbraw/zinc/85/01/75/889850175.db2.gz WBHAOWCPLKNNKP-QMMMGPOBSA-N 1 2 299.356 -1.599 20 0 CAADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CSCC(N)=O ZINC001412549615 889850181 /nfs/dbraw/zinc/85/01/81/889850181.db2.gz WBHAOWCPLKNNKP-QMMMGPOBSA-N 1 2 299.356 -1.599 20 0 CAADLO CN1CCn2c(CNC(=O)Cn3cc[nH+]c3)nnc2C1=O ZINC001412546083 889850228 /nfs/dbraw/zinc/85/02/28/889850228.db2.gz PMDFBWNQECEMNP-UHFFFAOYSA-N 1 2 289.299 -1.123 20 0 CAADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H]1C[C@H]1C(N)=O ZINC001412543838 889850334 /nfs/dbraw/zinc/85/03/34/889850334.db2.gz MGRPABXXTOUXHA-VGMNWLOBSA-N 1 2 279.300 -1.696 20 0 CAADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H]1C[C@H]1C(N)=O ZINC001412543838 889850339 /nfs/dbraw/zinc/85/03/39/889850339.db2.gz MGRPABXXTOUXHA-VGMNWLOBSA-N 1 2 279.300 -1.696 20 0 CAADLO CN(C)C(=O)C[N@@H+]1CCCN(C(=O)[C@]2(O)CCOC2)CC1 ZINC001412586162 889851663 /nfs/dbraw/zinc/85/16/63/889851663.db2.gz BJNSRZJEPIANQY-AWEZNQCLSA-N 1 2 299.371 -1.240 20 0 CAADLO CN(C)C(=O)C[N@H+]1CCCN(C(=O)[C@]2(O)CCOC2)CC1 ZINC001412586162 889851680 /nfs/dbraw/zinc/85/16/80/889851680.db2.gz BJNSRZJEPIANQY-AWEZNQCLSA-N 1 2 299.371 -1.240 20 0 CAADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)Cn1nccc1N ZINC001412641969 889858964 /nfs/dbraw/zinc/85/89/64/889858964.db2.gz LVVYNLNXURDLLB-LLVKDONJSA-N 1 2 297.359 -1.383 20 0 CAADLO CNC(=O)C[N@@H+]1CCCN(C(=O)C2(O)COC2)CC1 ZINC001412667973 889862081 /nfs/dbraw/zinc/86/20/81/889862081.db2.gz XETIMVQFWVFNSD-UHFFFAOYSA-N 1 2 271.317 -1.972 20 0 CAADLO CNC(=O)C[N@H+]1CCCN(C(=O)C2(O)COC2)CC1 ZINC001412667973 889862094 /nfs/dbraw/zinc/86/20/94/889862094.db2.gz XETIMVQFWVFNSD-UHFFFAOYSA-N 1 2 271.317 -1.972 20 0 CAADLO C[C@H](CN(C)C(=O)Cc1[nH]cc[nH+]1)NC(=O)CNC(N)=O ZINC001412658324 889862751 /nfs/dbraw/zinc/86/27/51/889862751.db2.gz CQZAPPRSKXGVAS-MRVPVSSYSA-N 1 2 296.331 -1.416 20 0 CAADLO CNC(=O)C[N@@H+]1CCCN(C(=O)Cn2cnc(N)n2)CC1 ZINC001412659352 889863235 /nfs/dbraw/zinc/86/32/35/889863235.db2.gz AUNBQOWUNPQPRH-UHFFFAOYSA-N 1 2 295.347 -1.859 20 0 CAADLO CNC(=O)C[N@H+]1CCCN(C(=O)Cn2cnc(N)n2)CC1 ZINC001412659352 889863247 /nfs/dbraw/zinc/86/32/47/889863247.db2.gz AUNBQOWUNPQPRH-UHFFFAOYSA-N 1 2 295.347 -1.859 20 0 CAADLO C[C@@H](CN(C)C(=O)Cc1[nH]cc[nH+]1)NC(=O)CNC(N)=O ZINC001412658329 889863380 /nfs/dbraw/zinc/86/33/80/889863380.db2.gz CQZAPPRSKXGVAS-QMMMGPOBSA-N 1 2 296.331 -1.416 20 0 CAADLO CNC(=O)C[N@@H+]1CCCN(C(=O)[C@@]2(O)CCOC2)CC1 ZINC001412661403 889864100 /nfs/dbraw/zinc/86/41/00/889864100.db2.gz GIOZQZNBNIHQNZ-CYBMUJFWSA-N 1 2 285.344 -1.582 20 0 CAADLO CNC(=O)C[N@H+]1CCCN(C(=O)[C@@]2(O)CCOC2)CC1 ZINC001412661403 889864123 /nfs/dbraw/zinc/86/41/23/889864123.db2.gz GIOZQZNBNIHQNZ-CYBMUJFWSA-N 1 2 285.344 -1.582 20 0 CAADLO O=C(Cc1c[nH]c[nH+]1)N[C@H](CO)CNC(=O)[C@H]1CCCO1 ZINC001412767755 889883453 /nfs/dbraw/zinc/88/34/53/889883453.db2.gz MJHCXVIGBAVXKP-WDEREUQCSA-N 1 2 296.327 -1.276 20 0 CAADLO O=C(Cc1c[nH]c[nH+]1)N[C@@H](CO)CNC(=O)[C@@H]1CCCO1 ZINC001412767746 889884918 /nfs/dbraw/zinc/88/49/18/889884918.db2.gz MJHCXVIGBAVXKP-MNOVXSKESA-N 1 2 296.327 -1.276 20 0 CAADLO C[C@@H]1CN(C(=O)c2cn(CC(N)=O)nn2)CC[N@@H+]1CCO ZINC001412846460 889900979 /nfs/dbraw/zinc/90/09/79/889900979.db2.gz POSMJFQDWGULMA-SECBINFHSA-N 1 2 296.331 -2.098 20 0 CAADLO C[C@@H]1CN(C(=O)c2cn(CC(N)=O)nn2)CC[N@H+]1CCO ZINC001412846460 889900987 /nfs/dbraw/zinc/90/09/87/889900987.db2.gz POSMJFQDWGULMA-SECBINFHSA-N 1 2 296.331 -2.098 20 0 CAADLO C[C@H](C(=O)N1CCC(O)(C(N)=O)CC1)[NH+]1CCN(C)CC1 ZINC001412889855 889905686 /nfs/dbraw/zinc/90/56/86/889905686.db2.gz XNPKUGQXYMMMNW-LLVKDONJSA-N 1 2 298.387 -1.539 20 0 CAADLO O=C(Cn1cc[nH+]c1)N[C@@H](CO)CNC(=O)c1cn[nH]n1 ZINC001412908612 889908618 /nfs/dbraw/zinc/90/86/18/889908618.db2.gz FAXGGLRZHDTHTE-MRVPVSSYSA-N 1 2 293.287 -2.092 20 0 CAADLO CCO[C@H](C)C(=O)N[C@H](CO)CNC(=O)Cn1cc[nH+]c1 ZINC001412899373 889909373 /nfs/dbraw/zinc/90/93/73/889909373.db2.gz JMHLYXJRIVSIEX-MNOVXSKESA-N 1 2 298.343 -1.099 20 0 CAADLO COC(=O)CNC(=O)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001412919380 889911467 /nfs/dbraw/zinc/91/14/67/889911467.db2.gz BYNXTOFGUWBLMT-RKDXNWHRSA-N 1 2 294.311 -1.071 20 0 CAADLO C[N@@H+]1CCC[C@H]1c1cc(C(=O)N[C@@H](CO)C(N)=O)[nH]n1 ZINC001412938139 889914804 /nfs/dbraw/zinc/91/48/04/889914804.db2.gz GJTGZHNYZXUING-UWVGGRQHSA-N 1 2 281.316 -1.248 20 0 CAADLO C[N@H+]1CCC[C@H]1c1cc(C(=O)N[C@@H](CO)C(N)=O)[nH]n1 ZINC001412938139 889914823 /nfs/dbraw/zinc/91/48/23/889914823.db2.gz GJTGZHNYZXUING-UWVGGRQHSA-N 1 2 281.316 -1.248 20 0 CAADLO O=C(Cc1[nH]cc[nH+]1)NC[C@]1(O)CCS(=O)(=O)C1 ZINC001412964619 889917332 /nfs/dbraw/zinc/91/73/32/889917332.db2.gz DEHSMJQYALSFKY-SNVBAGLBSA-N 1 2 273.314 -1.382 20 0 CAADLO O=C(Cc1[nH]cc[nH+]1)NC[C@H](CO)NC(=O)[C@@H]1CCCO1 ZINC001412952864 889917907 /nfs/dbraw/zinc/91/79/07/889917907.db2.gz FDIRJFDAYAAYFD-ZJUUUORDSA-N 1 2 296.327 -1.276 20 0 CAADLO NC(=O)[C@@]1([NH2+]CC(=O)NCC(=O)N2CCCC2)CCOC1 ZINC001413008272 889923994 /nfs/dbraw/zinc/92/39/94/889923994.db2.gz BMSCTXASXWTUKD-CYBMUJFWSA-N 1 2 298.343 -2.041 20 0 CAADLO Cn1[nH]c(C[N@H+]2C[C@](C)(CO)[C@](C)(CO)C2)nc1=O ZINC001413036404 889927178 /nfs/dbraw/zinc/92/71/78/889927178.db2.gz WNWUGBQKGWMJGY-TXEJJXNPSA-N 1 2 270.333 -1.079 20 0 CAADLO Cn1[nH]c(C[N@@H+]2C[C@](C)(CO)[C@](C)(CO)C2)nc1=O ZINC001413036404 889927190 /nfs/dbraw/zinc/92/71/90/889927190.db2.gz WNWUGBQKGWMJGY-TXEJJXNPSA-N 1 2 270.333 -1.079 20 0 CAADLO CC(C)Cn1ncnc1C[NH+]1C[C@@H](C(N)=O)[C@H](C(N)=O)C1 ZINC001413032485 889927736 /nfs/dbraw/zinc/92/77/36/889927736.db2.gz ZWXFGHISZGTGRW-NXEZZACHSA-N 1 2 294.359 -1.047 20 0 CAADLO C[C@H](NC(=O)C[N@@H+]1CC[C@@H](c2nn[nH]n2)C1)C(=O)N(C)C ZINC001413051702 889930863 /nfs/dbraw/zinc/93/08/63/889930863.db2.gz WBILXZPQOKMDRF-DTWKUNHWSA-N 1 2 295.347 -1.418 20 0 CAADLO C[C@H](NC(=O)C[N@H+]1CC[C@@H](c2nn[nH]n2)C1)C(=O)N(C)C ZINC001413051702 889930874 /nfs/dbraw/zinc/93/08/74/889930874.db2.gz WBILXZPQOKMDRF-DTWKUNHWSA-N 1 2 295.347 -1.418 20 0 CAADLO C[C@@H](NC(=O)C[N@@H+]1CC[C@H](c2nn[nH]n2)C1)C(=O)N(C)C ZINC001413051701 889932829 /nfs/dbraw/zinc/93/28/29/889932829.db2.gz WBILXZPQOKMDRF-BDAKNGLRSA-N 1 2 295.347 -1.418 20 0 CAADLO C[C@@H](NC(=O)C[N@H+]1CC[C@H](c2nn[nH]n2)C1)C(=O)N(C)C ZINC001413051701 889932839 /nfs/dbraw/zinc/93/28/39/889932839.db2.gz WBILXZPQOKMDRF-BDAKNGLRSA-N 1 2 295.347 -1.418 20 0 CAADLO CCN1OC[C@H](N2CCC[N@H+](CC(=O)NC)CC2)C1=O ZINC001413056919 889933162 /nfs/dbraw/zinc/93/31/62/889933162.db2.gz BLMVSWZCIRHQID-NSHDSACASA-N 1 2 284.360 -1.098 20 0 CAADLO CCN1OC[C@H](N2CCC[N@@H+](CC(=O)NC)CC2)C1=O ZINC001413056919 889933171 /nfs/dbraw/zinc/93/31/71/889933171.db2.gz BLMVSWZCIRHQID-NSHDSACASA-N 1 2 284.360 -1.098 20 0 CAADLO CCOC(=O)CN(C)C(=O)C[NH2+][C@@H](C)c1nnnn1C ZINC001413090338 889938728 /nfs/dbraw/zinc/93/87/28/889938728.db2.gz YPPBYEVLRCOEEA-QMMMGPOBSA-N 1 2 284.320 -1.118 20 0 CAADLO NC(=O)Cn1cc(C[NH2+]CC(=O)NC2CCCC2)nn1 ZINC001413121864 889940222 /nfs/dbraw/zinc/94/02/22/889940222.db2.gz LWPIZTQPMARSAK-UHFFFAOYSA-N 1 2 280.332 -1.088 20 0 CAADLO NC(=O)Cn1cc(C(=O)N[C@@H]2CCc3c[nH+]cn3C2)nn1 ZINC001413185397 889944039 /nfs/dbraw/zinc/94/40/39/889944039.db2.gz HPARYFFFBIAWLV-MRVPVSSYSA-N 1 2 289.299 -1.295 20 0 CAADLO COCC(=O)N(C)C[C@@H](O)CNC(=O)Cc1[nH]c[nH+]c1C ZINC001413204884 889945580 /nfs/dbraw/zinc/94/55/80/889945580.db2.gz WILCJGSMQSBERJ-JTQLQIEISA-N 1 2 298.343 -1.157 20 0 CAADLO COC(=O)Cn1cc(C[N@@H+]2C[C@H](O)C[C@]2(C)CO)nn1 ZINC001413238072 889950095 /nfs/dbraw/zinc/95/00/95/889950095.db2.gz QRATZJDKAVKMRU-ZYHUDNBSSA-N 1 2 284.316 -1.231 20 0 CAADLO COC(=O)Cn1cc(C[N@H+]2C[C@H](O)C[C@]2(C)CO)nn1 ZINC001413238072 889950106 /nfs/dbraw/zinc/95/01/06/889950106.db2.gz QRATZJDKAVKMRU-ZYHUDNBSSA-N 1 2 284.316 -1.231 20 0 CAADLO NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001413278286 889955615 /nfs/dbraw/zinc/95/56/15/889955615.db2.gz ODUUGQAKDAVUMM-BBBLOLIVSA-N 1 2 278.312 -1.107 20 0 CAADLO C[C@@H](O)c1cn(CC(=O)N[C@H](CO)c2c[nH+]cn2C)nn1 ZINC001413330281 889962806 /nfs/dbraw/zinc/96/28/06/889962806.db2.gz YQSHLKLDBNLGCG-PSASIEDQSA-N 1 2 294.315 -1.085 20 0 CAADLO CCOC(=O)C[C@H](O)C(=O)N[C@@H](CO)c1c[nH+]cn1C ZINC001413330365 889963223 /nfs/dbraw/zinc/96/32/23/889963223.db2.gz ZBVPVGRIIZYZJQ-WPRPVWTQSA-N 1 2 285.300 -1.116 20 0 CAADLO C[C@H](O)c1cn(CC(=O)N[C@H](CO)c2c[nH+]cn2C)nn1 ZINC001413330304 889963533 /nfs/dbraw/zinc/96/35/33/889963533.db2.gz YQSHLKLDBNLGCG-WCBMZHEXSA-N 1 2 294.315 -1.085 20 0 CAADLO Cn1c[nH+]cc1[C@H](CO)NC(=O)CSCC(N)=O ZINC001413326431 889963899 /nfs/dbraw/zinc/96/38/99/889963899.db2.gz KXTAEWHQBDBXKQ-ZETCQYMHSA-N 1 2 272.330 -1.212 20 0 CAADLO CCOC(=O)C[C@@H](O)C(=O)N[C@@H](CO)c1c[nH+]cn1C ZINC001413330363 889964326 /nfs/dbraw/zinc/96/43/26/889964326.db2.gz ZBVPVGRIIZYZJQ-WCBMZHEXSA-N 1 2 285.300 -1.116 20 0 CAADLO CO[C@@H]1CN(S(=O)(=O)N2CC[NH+](C)CC2)C[C@H]1O ZINC001413342862 889967255 /nfs/dbraw/zinc/96/72/55/889967255.db2.gz WCLUDPOIZSVSCO-NXEZZACHSA-N 1 2 279.362 -1.830 20 0 CAADLO C[C@H](O)CN(CCO)S(=O)(=O)N1CC[NH+](C)CC1 ZINC001413355656 889969112 /nfs/dbraw/zinc/96/91/12/889969112.db2.gz NALIKFVCXUEXSX-JTQLQIEISA-N 1 2 281.378 -1.846 20 0 CAADLO NS(=O)(=O)NC1CN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001413366324 889972201 /nfs/dbraw/zinc/97/22/01/889972201.db2.gz KOJCWWWCMIVWMD-MRVPVSSYSA-N 1 2 299.356 -1.551 20 0 CAADLO Cc1[nH+]c[nH]c1CC(=O)N1CC(NS(N)(=O)=O)C1 ZINC001413368217 889972371 /nfs/dbraw/zinc/97/23/71/889972371.db2.gz PQWULEZHNBRYDC-UHFFFAOYSA-N 1 2 273.318 -1.735 20 0 CAADLO NS(=O)(=O)NC1CN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001413366330 889973641 /nfs/dbraw/zinc/97/36/41/889973641.db2.gz KOJCWWWCMIVWMD-QMMMGPOBSA-N 1 2 299.356 -1.551 20 0 CAADLO Cn1cc([C@@H]2CN(C(=O)[C@@H](CO)NC(N)=O)CC[NH2+]2)cn1 ZINC001413374856 889978595 /nfs/dbraw/zinc/97/85/95/889978595.db2.gz GNIPCJGOCBWHBB-VHSXEESVSA-N 1 2 296.331 -2.078 20 0 CAADLO O=C(CCc1nn[nH]n1)NC[C@@]1(CO)COCC[NH2+]1 ZINC001413417380 889979651 /nfs/dbraw/zinc/97/96/51/889979651.db2.gz BFMOFKJXSWVJJN-SNVBAGLBSA-N 1 2 270.293 -2.401 20 0 CAADLO NC(=O)N[C@H](CO)C(=O)NCc1[nH]c2c([nH+]1)CCCC2 ZINC001413672661 890004480 /nfs/dbraw/zinc/00/44/80/890004480.db2.gz ZEOHWAMDYBQIRH-SECBINFHSA-N 1 2 281.316 -1.066 20 0 CAADLO CNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2CCOC(=O)N2)CC1 ZINC001413674727 890005497 /nfs/dbraw/zinc/00/54/97/890005497.db2.gz CNAQTYKKHVMCNP-JTQLQIEISA-N 1 2 298.343 -1.235 20 0 CAADLO CNC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2CCOC(=O)N2)CC1 ZINC001413674727 890005516 /nfs/dbraw/zinc/00/55/16/890005516.db2.gz CNAQTYKKHVMCNP-JTQLQIEISA-N 1 2 298.343 -1.235 20 0 CAADLO CNS(=O)(=O)CCNC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC001413792817 890013409 /nfs/dbraw/zinc/01/34/09/890013409.db2.gz AIQNDOOXKHHRFD-MRVPVSSYSA-N 1 2 287.345 -1.344 20 0 CAADLO NS(=O)(=O)CCN1CC[NH+](CCn2cncn2)CC1 ZINC001413948314 890028852 /nfs/dbraw/zinc/02/88/52/890028852.db2.gz AUYUHEXHHUXKCE-UHFFFAOYSA-N 1 2 288.377 -1.816 20 0 CAADLO CNC(=O)Cc1noc(C[N@@H+]2CC[C@@H](c3nn[nH]n3)C2)n1 ZINC001414031382 890041349 /nfs/dbraw/zinc/04/13/49/890041349.db2.gz AFODUEZTEHEQBW-SSDOTTSWSA-N 1 2 292.303 -1.139 20 0 CAADLO CNC(=O)Cc1noc(C[N@H+]2CC[C@@H](c3nn[nH]n3)C2)n1 ZINC001414031382 890041357 /nfs/dbraw/zinc/04/13/57/890041357.db2.gz AFODUEZTEHEQBW-SSDOTTSWSA-N 1 2 292.303 -1.139 20 0 CAADLO CON1CC[C@H]([NH+]2CCC(NS(N)(=O)=O)CC2)C1=O ZINC001414029670 890042574 /nfs/dbraw/zinc/04/25/74/890042574.db2.gz RHFZSTPPSFTVRR-VIFPVBQESA-N 1 2 292.361 -1.594 20 0 CAADLO NC(=O)Cn1cc(C[NH2+]CC(=O)NCC(F)(F)F)nn1 ZINC001414066315 890044813 /nfs/dbraw/zinc/04/48/13/890044813.db2.gz RPUWKSXCVAOLQE-UHFFFAOYSA-N 1 2 294.237 -1.469 20 0 CAADLO COC(=O)Cn1cc(C[N@@H+]2CC[C@@H](O)[C@H](CO)C2)nn1 ZINC001414177632 890045259 /nfs/dbraw/zinc/04/52/59/890045259.db2.gz SMLZNXTZFRXPIV-GXSJLCMTSA-N 1 2 284.316 -1.374 20 0 CAADLO COC(=O)Cn1cc(C[N@H+]2CC[C@@H](O)[C@H](CO)C2)nn1 ZINC001414177632 890045273 /nfs/dbraw/zinc/04/52/73/890045273.db2.gz SMLZNXTZFRXPIV-GXSJLCMTSA-N 1 2 284.316 -1.374 20 0 CAADLO COC(=O)Cn1cc(C[N@@H+]2CC[C@H](O)[C@H](CO)C2)nn1 ZINC001414177703 890046758 /nfs/dbraw/zinc/04/67/58/890046758.db2.gz SMLZNXTZFRXPIV-ONGXEEELSA-N 1 2 284.316 -1.374 20 0 CAADLO COC(=O)Cn1cc(C[N@H+]2CC[C@H](O)[C@H](CO)C2)nn1 ZINC001414177703 890046769 /nfs/dbraw/zinc/04/67/69/890046769.db2.gz SMLZNXTZFRXPIV-ONGXEEELSA-N 1 2 284.316 -1.374 20 0 CAADLO CCS(=O)(=O)C[C@@H](C)[NH2+]Cc1cn(CC(N)=O)nn1 ZINC001414083934 890047840 /nfs/dbraw/zinc/04/78/40/890047840.db2.gz FOMPNVPTRWWBCI-MRVPVSSYSA-N 1 2 289.361 -1.324 20 0 CAADLO C[C@@H]([NH2+]Cc1cn(CC(N)=O)nn1)C(=O)NCCF ZINC001414082846 890047896 /nfs/dbraw/zinc/04/78/96/890047896.db2.gz FDCAKVHNTQQXLB-SSDOTTSWSA-N 1 2 272.284 -1.673 20 0 CAADLO CCOCC(=O)N1C[C@@H](NC(=O)Cc2c[nH]c[nH+]2)[C@@H](O)C1 ZINC001414060951 890047935 /nfs/dbraw/zinc/04/79/35/890047935.db2.gz MDHHATXFCVEIIE-MNOVXSKESA-N 1 2 296.327 -1.323 20 0 CAADLO CCCNC(=O)[C@@H](C)NS(=O)(=O)N1CC[NH+](C)CC1 ZINC001414369730 890061730 /nfs/dbraw/zinc/06/17/30/890061730.db2.gz WPXCXTOSILJZSW-SNVBAGLBSA-N 1 2 292.405 -1.017 20 0 CAADLO NC(=O)NCC(=O)N[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001414934977 890079319 /nfs/dbraw/zinc/07/93/19/890079319.db2.gz BLVDPCRDFSPWNG-VIFPVBQESA-N 1 2 294.315 -1.732 20 0 CAADLO C[C@@H](CNC(=O)Cn1ncnn1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001415175673 890086939 /nfs/dbraw/zinc/08/69/39/890086939.db2.gz OEJOKFCUHVUMQK-QMMMGPOBSA-N 1 2 292.303 -1.740 20 0 CAADLO C[C@@H](CNC(=O)Cn1cc[nH+]c1)NC(=O)[C@H]1COC(=O)N1 ZINC001415198699 890087890 /nfs/dbraw/zinc/08/78/90/890087890.db2.gz ZQQJFSWMELYZOG-DTWKUNHWSA-N 1 2 295.299 -1.388 20 0 CAADLO C[C@H](CNC(=O)[C@@H]1CCC(=O)N1)NC(=O)Cn1cc[nH+]c1 ZINC001415226096 890088425 /nfs/dbraw/zinc/08/84/25/890088425.db2.gz PITFHNDUPRCGRD-ZJUUUORDSA-N 1 2 293.327 -1.217 20 0 CAADLO C[C@@H](CNC(=O)Cn1cncn1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001415321509 890090801 /nfs/dbraw/zinc/09/08/01/890090801.db2.gz UUSQRTIETRWTCF-VIFPVBQESA-N 1 2 291.315 -1.135 20 0 CAADLO C[C@H](CNC(=O)Cc1c[nH]c[nH+]1)NC(=O)Cn1cncn1 ZINC001415288669 890091120 /nfs/dbraw/zinc/09/11/20/890091120.db2.gz NPPGKIKBXTYBNY-SECBINFHSA-N 1 2 291.315 -1.135 20 0 CAADLO C[C@H](CNC(=O)Cc1c[nH]c[nH+]1)NC(=O)Cn1nccn1 ZINC001415283721 890091233 /nfs/dbraw/zinc/09/12/33/890091233.db2.gz QUAKLOVVQASLNA-SECBINFHSA-N 1 2 291.315 -1.135 20 0 CAADLO COC(=O)NCC(=O)N(C)CCNC(=O)Cn1cc[nH+]c1 ZINC001415540144 890096493 /nfs/dbraw/zinc/09/64/93/890096493.db2.gz WBMKMQBJIVAPMR-UHFFFAOYSA-N 1 2 297.315 -1.186 20 0 CAADLO CN(CCNC(=O)[C@@H]1CCC(=O)N1)C(=O)Cc1c[nH+]c[nH]1 ZINC001415569852 890099962 /nfs/dbraw/zinc/09/99/62/890099962.db2.gz HRMIXRZGPBAUGS-JTQLQIEISA-N 1 2 293.327 -1.195 20 0 CAADLO CN(CCNC(=O)Cc1c[nH]c[nH+]1)C(=O)c1cnnn1C ZINC001415631141 890102524 /nfs/dbraw/zinc/10/25/24/890102524.db2.gz XFJBOWSTWQQXBX-UHFFFAOYSA-N 1 2 291.315 -1.031 20 0 CAADLO CC(=O)N(C)CC(=O)NC1CN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001415975416 890106093 /nfs/dbraw/zinc/10/60/93/890106093.db2.gz ZYKOCCWFRXFYTB-UHFFFAOYSA-N 1 2 293.327 -1.243 20 0 CAADLO CC(=O)N1CC[NH+](CCN(C)C(=O)[C@H]2CCC(=O)N2)CC1 ZINC001415922868 890106604 /nfs/dbraw/zinc/10/66/04/890106604.db2.gz ZDPQJFITGVRJKA-GFCCVEGCSA-N 1 2 296.371 -1.113 20 0 CAADLO CCC(=O)NCC(=O)N1CC(NC(=O)Cn2cc[nH+]c2)C1 ZINC001416016167 890109365 /nfs/dbraw/zinc/10/93/65/890109365.db2.gz NLJYZRGXRLKFAJ-UHFFFAOYSA-N 1 2 293.327 -1.264 20 0 CAADLO CC(=O)NCC(=O)N1CC(CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001416131615 890114332 /nfs/dbraw/zinc/11/43/32/890114332.db2.gz VYQAYQCCGFSICA-UHFFFAOYSA-N 1 2 293.327 -1.337 20 0 CAADLO O=C(Cc1c[nH]c[nH+]1)NC[C@@H](O)CNC(=O)C(F)F ZINC001416709229 890119056 /nfs/dbraw/zinc/11/90/56/890119056.db2.gz ISZJSDSQVJJXRX-SSDOTTSWSA-N 1 2 276.243 -1.189 20 0 CAADLO CC(=O)NCC(=O)NC[C@H](O)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001416719686 890120708 /nfs/dbraw/zinc/12/07/08/890120708.db2.gz DYNIJCZQWDYOEQ-SNVBAGLBSA-N 1 2 297.315 -2.318 20 0 CAADLO CO[C@H](C)CC(=O)NC[C@H](O)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001416739289 890124084 /nfs/dbraw/zinc/12/40/84/890124084.db2.gz OCGMQHDGEUTPLS-KOLCDFICSA-N 1 2 298.343 -1.030 20 0 CAADLO C[C@H](CNC(=O)Cn1cc[nH+]c1)NC(=O)[C@H]1CCC(=O)N1 ZINC001416797013 890130944 /nfs/dbraw/zinc/13/09/44/890130944.db2.gz KNHBNMIULMZNGM-NXEZZACHSA-N 1 2 293.327 -1.217 20 0 CAADLO C[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)NC(=O)[C@@H]1COC(=O)N1 ZINC001416890648 890133537 /nfs/dbraw/zinc/13/35/37/890133537.db2.gz SSYQJENGKMRSGZ-CBAPKCEASA-N 1 2 295.299 -1.319 20 0 CAADLO C[C@@H](CNC(=O)Cn1cncn1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001416951084 890134468 /nfs/dbraw/zinc/13/44/68/890134468.db2.gz CNURLTPIGIVLAK-VIFPVBQESA-N 1 2 291.315 -1.135 20 0 CAADLO CN(C(=O)Cn1cc[nH+]c1)C1CN(C(=O)CNC(N)=O)C1 ZINC001417259133 890140331 /nfs/dbraw/zinc/14/03/31/890140331.db2.gz OHVQMTLDJCIISX-UHFFFAOYSA-N 1 2 294.315 -1.779 20 0 CAADLO C[C@H](C[NH+]1CCOCC1)NC(=O)CCCS(N)(=O)=O ZINC001417611046 890146290 /nfs/dbraw/zinc/14/62/90/890146290.db2.gz LPIXJZSQXFFAEN-SNVBAGLBSA-N 1 2 293.389 -1.108 20 0 CAADLO CN(C)[C@H](C(=O)NCC(=O)NCCO)c1c[nH+]cn1C ZINC001417668036 890152729 /nfs/dbraw/zinc/15/27/29/890152729.db2.gz SJNSLDJMMVBHCR-NSHDSACASA-N 1 2 283.332 -1.753 20 0 CAADLO CN(C)[C@@H](C(=O)NCC(=O)NCCO)c1c[nH+]cn1C ZINC001417668035 890152944 /nfs/dbraw/zinc/15/29/44/890152944.db2.gz SJNSLDJMMVBHCR-LLVKDONJSA-N 1 2 283.332 -1.753 20 0 CAADLO O=C(NC1CC[NH+]([C@H]2CCOC2=O)CC1)[C@H]1COC(=O)N1 ZINC001417688614 890156976 /nfs/dbraw/zinc/15/69/76/890156976.db2.gz SPPHXWRASRHVGG-ZJUUUORDSA-N 1 2 297.311 -1.009 20 0 CAADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CCNC(N)=O ZINC001417704354 890159907 /nfs/dbraw/zinc/15/99/07/890159907.db2.gz QUEDDENRIMVURQ-QMMMGPOBSA-N 1 2 283.288 -1.332 20 0 CAADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CCNC(N)=O ZINC001417704354 890159915 /nfs/dbraw/zinc/15/99/15/890159915.db2.gz QUEDDENRIMVURQ-QMMMGPOBSA-N 1 2 283.288 -1.332 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)C[C@@H]1CCC(=O)N1 ZINC001417747744 890167748 /nfs/dbraw/zinc/16/77/48/890167748.db2.gz IKMJCMBFYBBYRQ-WDEREUQCSA-N 1 2 296.371 -1.066 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)C[C@@H]1CCC(=O)N1 ZINC001417747744 890167752 /nfs/dbraw/zinc/16/77/52/890167752.db2.gz IKMJCMBFYBBYRQ-WDEREUQCSA-N 1 2 296.371 -1.066 20 0 CAADLO CN(C[C@@H]1CC[N@@H+]1[C@@H]1CCNC1=O)C(=O)Cn1cncn1 ZINC001417743753 890167848 /nfs/dbraw/zinc/16/78/48/890167848.db2.gz IOQFFQXNXPQXIN-WDEREUQCSA-N 1 2 292.343 -1.301 20 0 CAADLO CN(C[C@@H]1CC[N@H+]1[C@@H]1CCNC1=O)C(=O)Cn1cncn1 ZINC001417743753 890167853 /nfs/dbraw/zinc/16/78/53/890167853.db2.gz IOQFFQXNXPQXIN-WDEREUQCSA-N 1 2 292.343 -1.301 20 0 CAADLO CN(C[C@@H]1CC[N@@H+]1[C@H]1CCNC1=O)C(=O)Cn1cncn1 ZINC001417743748 890168211 /nfs/dbraw/zinc/16/82/11/890168211.db2.gz IOQFFQXNXPQXIN-QWRGUYRKSA-N 1 2 292.343 -1.301 20 0 CAADLO CN(C[C@@H]1CC[N@H+]1[C@H]1CCNC1=O)C(=O)Cn1cncn1 ZINC001417743748 890168217 /nfs/dbraw/zinc/16/82/17/890168217.db2.gz IOQFFQXNXPQXIN-QWRGUYRKSA-N 1 2 292.343 -1.301 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)C[C@@H]1CCC(=O)N1 ZINC001417747742 890169251 /nfs/dbraw/zinc/16/92/51/890169251.db2.gz IKMJCMBFYBBYRQ-QWRGUYRKSA-N 1 2 296.371 -1.066 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)C[C@@H]1CCC(=O)N1 ZINC001417747742 890169258 /nfs/dbraw/zinc/16/92/58/890169258.db2.gz IKMJCMBFYBBYRQ-QWRGUYRKSA-N 1 2 296.371 -1.066 20 0 CAADLO NC(=O)N[C@H](CO)C(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC001417869115 890173709 /nfs/dbraw/zinc/17/37/09/890173709.db2.gz XHJXZWTTYJUJSY-KXUCPTDWSA-N 1 2 286.332 -2.005 20 0 CAADLO NC(=O)N[C@H](CO)C(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC001417869115 890173712 /nfs/dbraw/zinc/17/37/12/890173712.db2.gz XHJXZWTTYJUJSY-KXUCPTDWSA-N 1 2 286.332 -2.005 20 0 CAADLO COCC[NH+]1CCN(CCNC(=O)Cc2nnc[nH]2)CC1 ZINC001417928668 890178086 /nfs/dbraw/zinc/17/80/86/890178086.db2.gz PWJMXYGOGQUDRG-UHFFFAOYSA-N 1 2 296.375 -1.273 20 0 CAADLO C[C@@H](C(N)=O)[NH+]1CCN(CCNC(=O)c2ccn[nH]2)CC1 ZINC001417915130 890179557 /nfs/dbraw/zinc/17/95/57/890179557.db2.gz CEKOWORXSRTKLZ-JTQLQIEISA-N 1 2 294.359 -1.369 20 0 CAADLO CNC(=O)NC(=O)C[N@@H+]1CC[C@@H](NC(=O)CCOC)C1 ZINC001417927642 890179700 /nfs/dbraw/zinc/17/97/00/890179700.db2.gz LCNACDDEWWTISZ-SECBINFHSA-N 1 2 286.332 -1.331 20 0 CAADLO CNC(=O)NC(=O)C[N@H+]1CC[C@@H](NC(=O)CCOC)C1 ZINC001417927642 890179708 /nfs/dbraw/zinc/17/97/08/890179708.db2.gz LCNACDDEWWTISZ-SECBINFHSA-N 1 2 286.332 -1.331 20 0 CAADLO Cc1ncc(C(=O)N[C@@H]2CC[N@H+](CC(=O)NC(N)=O)C2)[nH]1 ZINC001417932950 890179869 /nfs/dbraw/zinc/17/98/69/890179869.db2.gz VZEPWVIXLXYGSM-MRVPVSSYSA-N 1 2 294.315 -1.283 20 0 CAADLO Cc1ncc(C(=O)N[C@@H]2CC[N@@H+](CC(=O)NC(N)=O)C2)[nH]1 ZINC001417932950 890179878 /nfs/dbraw/zinc/17/98/78/890179878.db2.gz VZEPWVIXLXYGSM-MRVPVSSYSA-N 1 2 294.315 -1.283 20 0 CAADLO CC(=O)NCC[NH+]1CCN([C@@H](C)C(=O)NC(N)=O)CC1 ZINC001417915406 890180081 /nfs/dbraw/zinc/18/00/81/890180081.db2.gz RVCWAEAQBUEJIN-VIFPVBQESA-N 1 2 285.348 -1.677 20 0 CAADLO C[C@H]1C[N@H+](CCO)CCN1C(=O)CSCC(N)=O ZINC001417979087 890181512 /nfs/dbraw/zinc/18/15/12/890181512.db2.gz TXPRIJFAUDFXMB-VIFPVBQESA-N 1 2 275.374 -1.270 20 0 CAADLO C[C@H]1C[N@@H+](CCO)CCN1C(=O)CSCC(N)=O ZINC001417979087 890181517 /nfs/dbraw/zinc/18/15/17/890181517.db2.gz TXPRIJFAUDFXMB-VIFPVBQESA-N 1 2 275.374 -1.270 20 0 CAADLO CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCC(=O)NC2)C1 ZINC001417937520 890181775 /nfs/dbraw/zinc/18/17/75/890181775.db2.gz CXGLQFOGGZTGTR-GHMZBOCLSA-N 1 2 296.371 -1.161 20 0 CAADLO CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCC(=O)NC2)C1 ZINC001417937520 890181780 /nfs/dbraw/zinc/18/17/80/890181780.db2.gz CXGLQFOGGZTGTR-GHMZBOCLSA-N 1 2 296.371 -1.161 20 0 CAADLO COCC1(C(=O)N[C@H]2CC[N@H+](CC(=O)NC(N)=O)C2)CC1 ZINC001417936921 890181850 /nfs/dbraw/zinc/18/18/50/890181850.db2.gz BTZOLEMLKPQRNM-VIFPVBQESA-N 1 2 298.343 -1.202 20 0 CAADLO COCC1(C(=O)N[C@H]2CC[N@@H+](CC(=O)NC(N)=O)C2)CC1 ZINC001417936921 890181855 /nfs/dbraw/zinc/18/18/55/890181855.db2.gz BTZOLEMLKPQRNM-VIFPVBQESA-N 1 2 298.343 -1.202 20 0 CAADLO CCCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001417948387 890181961 /nfs/dbraw/zinc/18/19/61/890181961.db2.gz ZMQMEQDJTLSLPG-MNOVXSKESA-N 1 2 296.371 -1.018 20 0 CAADLO CCCNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001417948387 890181966 /nfs/dbraw/zinc/18/19/66/890181966.db2.gz ZMQMEQDJTLSLPG-MNOVXSKESA-N 1 2 296.371 -1.018 20 0 CAADLO C[C@@H]1C[N@@H+](CCO)CCN1C(=O)CSCC(N)=O ZINC001417979073 890183004 /nfs/dbraw/zinc/18/30/04/890183004.db2.gz TXPRIJFAUDFXMB-SECBINFHSA-N 1 2 275.374 -1.270 20 0 CAADLO C[C@@H]1C[N@H+](CCO)CCN1C(=O)CSCC(N)=O ZINC001417979073 890182996 /nfs/dbraw/zinc/18/29/96/890182996.db2.gz TXPRIJFAUDFXMB-SECBINFHSA-N 1 2 275.374 -1.270 20 0 CAADLO Cn1cncc1C(=O)N[C@H]1CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001417940952 890183088 /nfs/dbraw/zinc/18/30/88/890183088.db2.gz OZSPVFNDXDYFLT-QMMMGPOBSA-N 1 2 294.315 -1.581 20 0 CAADLO Cn1cncc1C(=O)N[C@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001417940952 890183094 /nfs/dbraw/zinc/18/30/94/890183094.db2.gz OZSPVFNDXDYFLT-QMMMGPOBSA-N 1 2 294.315 -1.581 20 0 CAADLO Cn1nnc(C[NH2+][C@@H](CNC(=O)c2cnon2)C2CC2)n1 ZINC001418003845 890185874 /nfs/dbraw/zinc/18/58/74/890185874.db2.gz SFFRRADTFIXJOB-QMMMGPOBSA-N 1 2 292.303 -1.109 20 0 CAADLO CC(=O)N[C@@H](C)C(=O)N[C@H]1C[C@@H]([NH2+]Cc2nnn(C)n2)C1 ZINC001418084358 890189968 /nfs/dbraw/zinc/18/99/68/890189968.db2.gz PTQAUXPZMYVGAH-UJNFCWOMSA-N 1 2 295.347 -1.529 20 0 CAADLO NC(=O)c1ncn(CC(=O)N[C@@H]2CCn3c[nH+]cc3C2)n1 ZINC001418163757 890194019 /nfs/dbraw/zinc/19/40/19/890194019.db2.gz VTZMOYITLBAFFX-MRVPVSSYSA-N 1 2 289.299 -1.295 20 0 CAADLO COC[C@@H](C)C(=O)NC[C@@H](C)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001418199227 890195716 /nfs/dbraw/zinc/19/57/16/890195716.db2.gz DNWBMZYUGVWTTA-RKDXNWHRSA-N 1 2 285.348 -1.015 20 0 CAADLO CC(=O)N(C)CC(=O)NC[C@H](C)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001418194953 890196562 /nfs/dbraw/zinc/19/65/62/890196562.db2.gz MUDFSLOPIGNPQS-QMMMGPOBSA-N 1 2 298.347 -1.819 20 0 CAADLO C[C@@H](CNC(=O)c1ccn(C)n1)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001418312621 890209483 /nfs/dbraw/zinc/20/94/83/890209483.db2.gz CFANXSUKFGDWMP-QMMMGPOBSA-N 1 2 293.331 -1.250 20 0 CAADLO C[C@H](CNC(=O)c1ccn(C)n1)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001418312499 890209554 /nfs/dbraw/zinc/20/95/54/890209554.db2.gz CFANXSUKFGDWMP-MRVPVSSYSA-N 1 2 293.331 -1.250 20 0 CAADLO CN(C)C(=O)C[NH2+]C[C@H]1CCN(C(=O)Cc2ncn[nH]2)C1 ZINC001418366254 890213192 /nfs/dbraw/zinc/21/31/92/890213192.db2.gz ZNWBYPYHKNGLNB-SNVBAGLBSA-N 1 2 294.359 -1.127 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)Cc1n[nH]c(C)n1 ZINC001418457350 890219312 /nfs/dbraw/zinc/21/93/12/890219312.db2.gz UDVIRGIZGNJUOR-MRVPVSSYSA-N 1 2 282.348 -1.162 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)Cc1n[nH]c(C)n1 ZINC001418457350 890219330 /nfs/dbraw/zinc/21/93/30/890219330.db2.gz UDVIRGIZGNJUOR-MRVPVSSYSA-N 1 2 282.348 -1.162 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)CCc1nnc[nH]1 ZINC001418451223 890223824 /nfs/dbraw/zinc/22/38/24/890223824.db2.gz MPCWBIVLKSTSSK-SECBINFHSA-N 1 2 282.348 -1.080 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)CCc1nnc[nH]1 ZINC001418451223 890223837 /nfs/dbraw/zinc/22/38/37/890223837.db2.gz MPCWBIVLKSTSSK-SECBINFHSA-N 1 2 282.348 -1.080 20 0 CAADLO C[N@H+](CCNC(=O)C[C@@H]1CCC(=O)NC1)CC(N)=O ZINC001418468722 890225792 /nfs/dbraw/zinc/22/57/92/890225792.db2.gz STILBIYPEVQEFA-VIFPVBQESA-N 1 2 270.333 -1.564 20 0 CAADLO C[N@@H+](CCNC(=O)C[C@@H]1CCC(=O)NC1)CC(N)=O ZINC001418468722 890225804 /nfs/dbraw/zinc/22/58/04/890225804.db2.gz STILBIYPEVQEFA-VIFPVBQESA-N 1 2 270.333 -1.564 20 0 CAADLO CNC(=O)C[N@H+](C)CCNC(=O)CN(C)C(=O)C1CC1 ZINC001418466992 890227122 /nfs/dbraw/zinc/22/71/22/890227122.db2.gz UCENXHIRLQJSIP-UHFFFAOYSA-N 1 2 284.360 -1.351 20 0 CAADLO CNC(=O)C[N@@H+](C)CCNC(=O)CN(C)C(=O)C1CC1 ZINC001418466992 890227136 /nfs/dbraw/zinc/22/71/36/890227136.db2.gz UCENXHIRLQJSIP-UHFFFAOYSA-N 1 2 284.360 -1.351 20 0 CAADLO CC[C@H](C)NC(=O)C[N@H+](C)CCNC(=O)[C@H]1CNC(=O)N1 ZINC001418493310 890227286 /nfs/dbraw/zinc/22/72/86/890227286.db2.gz FSEBVJRXRPYHBF-VHSXEESVSA-N 1 2 299.375 -1.370 20 0 CAADLO CC[C@H](C)NC(=O)C[N@@H+](C)CCNC(=O)[C@H]1CNC(=O)N1 ZINC001418493310 890227305 /nfs/dbraw/zinc/22/73/05/890227305.db2.gz FSEBVJRXRPYHBF-VHSXEESVSA-N 1 2 299.375 -1.370 20 0 CAADLO C[N@H+](CCNC(=O)C[C@H]1CCC(=O)NC1)CC(N)=O ZINC001418468298 890228093 /nfs/dbraw/zinc/22/80/93/890228093.db2.gz STILBIYPEVQEFA-SECBINFHSA-N 1 2 270.333 -1.564 20 0 CAADLO C[N@@H+](CCNC(=O)C[C@H]1CCC(=O)NC1)CC(N)=O ZINC001418468298 890228106 /nfs/dbraw/zinc/22/81/06/890228106.db2.gz STILBIYPEVQEFA-SECBINFHSA-N 1 2 270.333 -1.564 20 0 CAADLO CCNC(=O)C[N@H+](C)CCNC(=O)CN1CCNC(=O)C1 ZINC001418485587 890228907 /nfs/dbraw/zinc/22/89/07/890228907.db2.gz BHRMHEBOBSKODR-UHFFFAOYSA-N 1 2 299.375 -2.398 20 0 CAADLO CCNC(=O)C[N@@H+](C)CCNC(=O)CN1CCNC(=O)C1 ZINC001418485587 890228925 /nfs/dbraw/zinc/22/89/25/890228925.db2.gz BHRMHEBOBSKODR-UHFFFAOYSA-N 1 2 299.375 -2.398 20 0 CAADLO CN1CC[C@H](CC(=O)NCC[N@H+](C)CC(N)=O)C1=O ZINC001418474763 890229622 /nfs/dbraw/zinc/22/96/22/890229622.db2.gz IUNAWLMWLRMXGM-SECBINFHSA-N 1 2 270.333 -1.612 20 0 CAADLO CN1CC[C@H](CC(=O)NCC[N@@H+](C)CC(N)=O)C1=O ZINC001418474763 890229640 /nfs/dbraw/zinc/22/96/40/890229640.db2.gz IUNAWLMWLRMXGM-SECBINFHSA-N 1 2 270.333 -1.612 20 0 CAADLO CNC(=O)C[N@@H+](C)CCNC(=O)c1cn(C)nc1OC ZINC001418481365 890230378 /nfs/dbraw/zinc/23/03/78/890230378.db2.gz FDAFBSTWAFLKAZ-UHFFFAOYSA-N 1 2 283.332 -1.164 20 0 CAADLO CNC(=O)C[N@H+](C)CCNC(=O)c1cn(C)nc1OC ZINC001418481365 890230361 /nfs/dbraw/zinc/23/03/61/890230361.db2.gz FDAFBSTWAFLKAZ-UHFFFAOYSA-N 1 2 283.332 -1.164 20 0 CAADLO COCc1nocc1C(=O)NCC[N@H+](C)CC(N)=O ZINC001418511657 890232259 /nfs/dbraw/zinc/23/22/59/890232259.db2.gz UYHZFCDIGYHVSF-UHFFFAOYSA-N 1 2 270.289 -1.032 20 0 CAADLO CN1CC[C@@H]([N@H+](C)CCNC(=O)Cc2nnc[nH]2)C1=O ZINC001418510561 890233116 /nfs/dbraw/zinc/23/31/16/890233116.db2.gz BQKKLNPYOONXNR-SECBINFHSA-N 1 2 280.332 -1.374 20 0 CAADLO CN1CC[C@@H]([N@@H+](C)CCNC(=O)Cc2nnc[nH]2)C1=O ZINC001418510561 890233127 /nfs/dbraw/zinc/23/31/27/890233127.db2.gz BQKKLNPYOONXNR-SECBINFHSA-N 1 2 280.332 -1.374 20 0 CAADLO C[N@H+](CCNC(=O)[C@H]1CC[C@@H](C(N)=O)O1)CC(N)=O ZINC001418497299 890233260 /nfs/dbraw/zinc/23/32/60/890233260.db2.gz ZBVAOOLKGHCYPY-JGVFFNPUSA-N 1 2 272.305 -2.447 20 0 CAADLO C[N@@H+](CCNC(=O)[C@H]1CC[C@@H](C(N)=O)O1)CC(N)=O ZINC001418497299 890233275 /nfs/dbraw/zinc/23/32/75/890233275.db2.gz ZBVAOOLKGHCYPY-JGVFFNPUSA-N 1 2 272.305 -2.447 20 0 CAADLO C[C@@H](C(=O)NC(N)=O)[N@H+]1C[C@@H](NC(=O)CC2CC2)[C@@H](O)C1 ZINC001418540376 890236621 /nfs/dbraw/zinc/23/66/21/890236621.db2.gz IHKPRKGATSWJOM-SFGNSQDASA-N 1 2 298.343 -1.469 20 0 CAADLO C[C@@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H](NC(=O)CC2CC2)[C@@H](O)C1 ZINC001418540376 890236635 /nfs/dbraw/zinc/23/66/35/890236635.db2.gz IHKPRKGATSWJOM-SFGNSQDASA-N 1 2 298.343 -1.469 20 0 CAADLO C[C@@H](C(=O)NC[C@@H]1CCC[N@@H+]1CC(N)=O)n1cncn1 ZINC001418609544 890242235 /nfs/dbraw/zinc/24/22/35/890242235.db2.gz BNUVBZOGSQCUJC-UWVGGRQHSA-N 1 2 280.332 -1.095 20 0 CAADLO C[C@@H](C(=O)NC[C@@H]1CCC[N@H+]1CC(N)=O)n1cncn1 ZINC001418609544 890242252 /nfs/dbraw/zinc/24/22/52/890242252.db2.gz BNUVBZOGSQCUJC-UWVGGRQHSA-N 1 2 280.332 -1.095 20 0 CAADLO COCC(=O)NC[C@H]1CCC[N@@H+]1Cc1nc(=O)n(C)[nH]1 ZINC001418592386 890242367 /nfs/dbraw/zinc/24/23/67/890242367.db2.gz SUZOQBVOMQVRLV-SECBINFHSA-N 1 2 283.332 -1.165 20 0 CAADLO COCC(=O)NC[C@H]1CCC[N@H+]1Cc1nc(=O)n(C)[nH]1 ZINC001418592386 890242385 /nfs/dbraw/zinc/24/23/85/890242385.db2.gz SUZOQBVOMQVRLV-SECBINFHSA-N 1 2 283.332 -1.165 20 0 CAADLO C[C@H](C(=O)NC[C@H]1CCC[N@@H+]1CC(N)=O)n1cncn1 ZINC001418609540 890244839 /nfs/dbraw/zinc/24/48/39/890244839.db2.gz BNUVBZOGSQCUJC-NXEZZACHSA-N 1 2 280.332 -1.095 20 0 CAADLO C[C@H](C(=O)NC[C@H]1CCC[N@H+]1CC(N)=O)n1cncn1 ZINC001418609540 890244855 /nfs/dbraw/zinc/24/48/55/890244855.db2.gz BNUVBZOGSQCUJC-NXEZZACHSA-N 1 2 280.332 -1.095 20 0 CAADLO C[C@H](C(=O)NC[C@@H]1CCC[N@@H+]1CC(N)=O)n1cncn1 ZINC001418610900 890247254 /nfs/dbraw/zinc/24/72/54/890247254.db2.gz BNUVBZOGSQCUJC-ZJUUUORDSA-N 1 2 280.332 -1.095 20 0 CAADLO C[C@H](C(=O)NC[C@@H]1CCC[N@H+]1CC(N)=O)n1cncn1 ZINC001418610900 890247263 /nfs/dbraw/zinc/24/72/63/890247263.db2.gz BNUVBZOGSQCUJC-ZJUUUORDSA-N 1 2 280.332 -1.095 20 0 CAADLO C[C@@H](C(=O)NC[C@H]1CCC[N@@H+]1CC(N)=O)n1cncn1 ZINC001418610894 890247350 /nfs/dbraw/zinc/24/73/50/890247350.db2.gz BNUVBZOGSQCUJC-VHSXEESVSA-N 1 2 280.332 -1.095 20 0 CAADLO C[C@@H](C(=O)NC[C@H]1CCC[N@H+]1CC(N)=O)n1cncn1 ZINC001418610894 890247364 /nfs/dbraw/zinc/24/73/64/890247364.db2.gz BNUVBZOGSQCUJC-VHSXEESVSA-N 1 2 280.332 -1.095 20 0 CAADLO CCNC(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCC(=O)N1 ZINC001418617302 890249831 /nfs/dbraw/zinc/24/98/31/890249831.db2.gz PGZQGNQIYCSNII-QWRGUYRKSA-N 1 2 296.371 -1.066 20 0 CAADLO CCNC(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCC(=O)N1 ZINC001418617302 890249848 /nfs/dbraw/zinc/24/98/48/890249848.db2.gz PGZQGNQIYCSNII-QWRGUYRKSA-N 1 2 296.371 -1.066 20 0 CAADLO Cn1cc([C@H]2CN(C(=O)Cn3cnc(N)n3)CC[NH2+]2)cn1 ZINC001418837882 890267354 /nfs/dbraw/zinc/26/73/54/890267354.db2.gz GSQLHLZVZVDBIA-SNVBAGLBSA-N 1 2 290.331 -1.233 20 0 CAADLO C[N@@H+]1CCN(C(=O)c2cn(CC(N)=O)nn2)C[C@@H]1CO ZINC001418910325 890268816 /nfs/dbraw/zinc/26/88/16/890268816.db2.gz FLUAWUOIMBHTLC-MRVPVSSYSA-N 1 2 282.304 -2.488 20 0 CAADLO C[N@H+]1CCN(C(=O)c2cn(CC(N)=O)nn2)C[C@@H]1CO ZINC001418910325 890268830 /nfs/dbraw/zinc/26/88/30/890268830.db2.gz FLUAWUOIMBHTLC-MRVPVSSYSA-N 1 2 282.304 -2.488 20 0 CAADLO CCCN(C(=O)[C@H]1CNC(=O)N1)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001418871992 890269899 /nfs/dbraw/zinc/26/98/99/890269899.db2.gz CJIGEFVGJWFBGD-NXEZZACHSA-N 1 2 297.359 -1.534 20 0 CAADLO CCCN(C(=O)[C@H]1CNC(=O)N1)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001418871992 890269914 /nfs/dbraw/zinc/26/99/14/890269914.db2.gz CJIGEFVGJWFBGD-NXEZZACHSA-N 1 2 297.359 -1.534 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CCC[C@@H](NC(=O)[C@H](C)NC(N)=O)C1 ZINC001418950071 890274331 /nfs/dbraw/zinc/27/43/31/890274331.db2.gz AYWDBPZTNADIDC-DJLDLDEBSA-N 1 2 285.348 -1.502 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CCC[C@@H](NC(=O)[C@H](C)NC(N)=O)C1 ZINC001418950071 890274341 /nfs/dbraw/zinc/27/43/41/890274341.db2.gz AYWDBPZTNADIDC-DJLDLDEBSA-N 1 2 285.348 -1.502 20 0 CAADLO CC(=O)NCC(=O)NC1C[NH+](CCc2ccnn2C)C1 ZINC001418962665 890276936 /nfs/dbraw/zinc/27/69/36/890276936.db2.gz IIOYBNCVOCUOFR-UHFFFAOYSA-N 1 2 279.344 -1.101 20 0 CAADLO CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)CCNC(N)=O)C1 ZINC001418954352 890277197 /nfs/dbraw/zinc/27/71/97/890277197.db2.gz QOBNOCLKQLBZOZ-SNVBAGLBSA-N 1 2 299.375 -1.239 20 0 CAADLO CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)CCNC(N)=O)C1 ZINC001418954352 890277205 /nfs/dbraw/zinc/27/72/05/890277205.db2.gz QOBNOCLKQLBZOZ-SNVBAGLBSA-N 1 2 299.375 -1.239 20 0 CAADLO CCS(=O)(=O)NCC(=O)NC1C[NH+](CCCO)C1 ZINC001418972687 890278625 /nfs/dbraw/zinc/27/86/25/890278625.db2.gz DDLNTGMOHJFXKI-UHFFFAOYSA-N 1 2 279.362 -1.892 20 0 CAADLO COC[C@H](O)C[NH+]1CC(NC(=O)[C@H](C)n2cncn2)C1 ZINC001418967306 890279544 /nfs/dbraw/zinc/27/95/44/890279544.db2.gz XITFXKHDEOJMMO-GXSJLCMTSA-N 1 2 283.332 -1.353 20 0 CAADLO COCC(=O)N(C)CC(=O)NC1C[NH+]([C@@H](C)COC)C1 ZINC001418973347 890279351 /nfs/dbraw/zinc/27/93/51/890279351.db2.gz GWZMIOJQVSABND-JTQLQIEISA-N 1 2 287.360 -1.074 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(NC(=O)Cc2ccn(C)n2)C1 ZINC001418970434 890279658 /nfs/dbraw/zinc/27/96/58/890279658.db2.gz AXXDNMCKNBXREN-LBPRGKRZSA-N 1 2 282.344 -1.230 20 0 CAADLO COC[C@H](O)C[NH+]1CC(NC(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC001418989442 890282256 /nfs/dbraw/zinc/28/22/56/890282256.db2.gz DGMSEFPJOQLQKZ-NXEZZACHSA-N 1 2 286.332 -2.182 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(NC(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC001418989451 890284183 /nfs/dbraw/zinc/28/41/83/890284183.db2.gz DGMSEFPJOQLQKZ-VHSXEESVSA-N 1 2 286.332 -2.182 20 0 CAADLO C[C@@H](C(=O)NC(N)=O)N1CC(NC(=O)Cn2cc[nH+]c2)C1 ZINC001419005702 890284560 /nfs/dbraw/zinc/28/45/60/890284560.db2.gz XFCAIAUVPRQDDG-QMMMGPOBSA-N 1 2 294.315 -1.733 20 0 CAADLO C[C@H](NC(=O)Cn1cnnn1)C(=O)NC1C[NH+](CCO)C1 ZINC001418995260 890284608 /nfs/dbraw/zinc/28/46/08/890284608.db2.gz UXBJKPHTUXUPFY-QMMMGPOBSA-N 1 2 297.319 -3.030 20 0 CAADLO CCNC(=O)C[NH+]1CC(CNC(=O)c2ccc(=O)[nH]n2)C1 ZINC001419004538 890284713 /nfs/dbraw/zinc/28/47/13/890284713.db2.gz FOPCXUKLHBAEPP-UHFFFAOYSA-N 1 2 293.327 -1.020 20 0 CAADLO CO[C@H](C)C[NH+]1CC(NC(=O)CS(=O)(=O)N(C)C)C1 ZINC001419006719 890284889 /nfs/dbraw/zinc/28/48/89/890284889.db2.gz IKKDEJGOSSWPQV-SECBINFHSA-N 1 2 293.389 -1.287 20 0 CAADLO CCO[C@H]1C[C@@H]1C(=O)NCC1C[NH+](CC(=O)NC(N)=O)C1 ZINC001419011101 890286430 /nfs/dbraw/zinc/28/64/30/890286430.db2.gz XZVIXQZVAGNPNW-UWVGGRQHSA-N 1 2 298.343 -1.346 20 0 CAADLO CCNC(=O)NC(=O)C[NH+]1CC(CNC(=O)COC)C1 ZINC001419004710 890286589 /nfs/dbraw/zinc/28/65/89/890286589.db2.gz VOTPQDIZQVLMFA-UHFFFAOYSA-N 1 2 286.332 -1.474 20 0 CAADLO C[C@H](C(=O)NC(N)=O)N1CC(NC(=O)Cn2cc[nH+]c2)C1 ZINC001419005698 890286824 /nfs/dbraw/zinc/28/68/24/890286824.db2.gz XFCAIAUVPRQDDG-MRVPVSSYSA-N 1 2 294.315 -1.733 20 0 CAADLO CCO[C@@H]1C[C@@H]1C(=O)NCC1C[NH+](CC(=O)NC(N)=O)C1 ZINC001419011103 890287012 /nfs/dbraw/zinc/28/70/12/890287012.db2.gz XZVIXQZVAGNPNW-VHSXEESVSA-N 1 2 298.343 -1.346 20 0 CAADLO O=C(CCn1cncn1)NCC1C[NH+]([C@@H]2CCNC2=O)C1 ZINC001419010891 890287161 /nfs/dbraw/zinc/28/71/61/890287161.db2.gz VSNCWAKSNBNYQJ-LLVKDONJSA-N 1 2 292.343 -1.395 20 0 CAADLO COCC[NH+]1CC(NC(=O)CCS(=O)(=O)N(C)C)C1 ZINC001419006277 890287833 /nfs/dbraw/zinc/28/78/33/890287833.db2.gz XFWHHAMSQGNBEV-UHFFFAOYSA-N 1 2 293.389 -1.285 20 0 CAADLO CC[C@@H](NC(C)=O)C(=O)NCC1C[NH+]([C@@H](C)C(N)=O)C1 ZINC001419034793 890288498 /nfs/dbraw/zinc/28/84/98/890288498.db2.gz DLDJHNZNXHRJNG-GZMMTYOYSA-N 1 2 284.360 -1.177 20 0 CAADLO Cc1nnc(CC(=O)NCC2C[NH+]([C@@H]3CCNC3=O)C2)[nH]1 ZINC001419021868 890288940 /nfs/dbraw/zinc/28/89/40/890288940.db2.gz NIHPXIRIFAIGSL-SNVBAGLBSA-N 1 2 292.343 -1.408 20 0 CAADLO CCC(=O)N[C@@H](C)C(=O)NCC1C[NH+]([C@@H](C)C(N)=O)C1 ZINC001419022763 890289622 /nfs/dbraw/zinc/28/96/22/890289622.db2.gz VADASEBJGDVDNQ-IUCAKERBSA-N 1 2 284.360 -1.177 20 0 CAADLO C[C@]1(C(=O)NCC2C[NH+](CC(=O)NC(N)=O)C2)CCOC1 ZINC001419034894 890289654 /nfs/dbraw/zinc/28/96/54/890289654.db2.gz HMGSMSVKYUCTIH-ZDUSSCGKSA-N 1 2 298.343 -1.344 20 0 CAADLO CC(C)(C(=O)NCC1C[NH+](CC(N)=O)C1)N1CCOCC1 ZINC001419036777 890289738 /nfs/dbraw/zinc/28/97/38/890289738.db2.gz MBCNOEATELPHBA-UHFFFAOYSA-N 1 2 298.387 -1.370 20 0 CAADLO CN(C)C(=O)C[NH+]1CC(CNC(=O)CN2CCCC2=O)C1 ZINC001419014658 890290004 /nfs/dbraw/zinc/29/00/04/890290004.db2.gz SXQUUTHPHONGAR-UHFFFAOYSA-N 1 2 296.371 -1.255 20 0 CAADLO Cn1cnn(CCC(=O)NCC2C[NH+](CC(N)=O)C2)c1=O ZINC001419025166 890290176 /nfs/dbraw/zinc/29/01/76/890290176.db2.gz FFCXKQKRBSMTLB-UHFFFAOYSA-N 1 2 296.331 -2.495 20 0 CAADLO NC(=O)C[NH+]1CC(CNC(=O)CCCn2cncn2)C1 ZINC001419037502 890290261 /nfs/dbraw/zinc/29/02/61/890290261.db2.gz AICPODYYTWOREK-UHFFFAOYSA-N 1 2 280.332 -1.408 20 0 CAADLO CCC[C@@H](NC(N)=O)C(=O)NCC1C[NH+](CC(=O)NC)C1 ZINC001419038003 890290460 /nfs/dbraw/zinc/29/04/60/890290460.db2.gz RRTQSQGMKFUMQD-SNVBAGLBSA-N 1 2 299.375 -1.383 20 0 CAADLO Cn1cnn(CC(=O)NCC2C[NH+](CCF)C2)c1=O ZINC001419021820 890290864 /nfs/dbraw/zinc/29/08/64/890290864.db2.gz FODNCUPHVJWBMD-UHFFFAOYSA-N 1 2 271.296 -1.401 20 0 CAADLO CCC(=O)N[C@H](C)C(=O)NCC1C[NH+]([C@H](C)C(N)=O)C1 ZINC001419022766 890291124 /nfs/dbraw/zinc/29/11/24/890291124.db2.gz VADASEBJGDVDNQ-RKDXNWHRSA-N 1 2 284.360 -1.177 20 0 CAADLO CO[C@@H](C(=O)NCC1C[NH+](CC(N)=O)C1)c1cnn(C)c1 ZINC001419024364 890291185 /nfs/dbraw/zinc/29/11/85/890291185.db2.gz AKERYVZVIWROPY-GFCCVEGCSA-N 1 2 295.343 -1.359 20 0 CAADLO CCNC(=O)C[NH+]1CC(CNC(=O)C[C@@H](C)NC(N)=O)C1 ZINC001419023091 890292295 /nfs/dbraw/zinc/29/22/95/890292295.db2.gz SPEBAAIEXRRQQW-SECBINFHSA-N 1 2 299.375 -1.383 20 0 CAADLO O=C(CN1CCOCC1=O)NCC1C[NH+](CCF)C1 ZINC001419022588 890292187 /nfs/dbraw/zinc/29/21/87/890292187.db2.gz LIHMJCUBAZZEEU-UHFFFAOYSA-N 1 2 273.308 -1.137 20 0 CAADLO O=C(Cn1cncn1)NCC1C[NH+]([C@@H]2CCNC2=O)C1 ZINC001419046642 890292859 /nfs/dbraw/zinc/29/28/59/890292859.db2.gz ORGSCDZWQVRZHN-SNVBAGLBSA-N 1 2 278.316 -1.785 20 0 CAADLO CC[C@H](NC(C)=O)C(=O)NCC1C[NH+]([C@H]2CCNC2=O)C1 ZINC001419039607 890293459 /nfs/dbraw/zinc/29/34/59/890293459.db2.gz RYEHQYUAEJOJDK-RYUDHWBXSA-N 1 2 296.371 -1.162 20 0 CAADLO CC(=O)N[C@H](C)C(=O)N[C@H]1CC[N@H+](CC(=O)NC2CC2)C1 ZINC001419056263 890294270 /nfs/dbraw/zinc/29/42/70/890294270.db2.gz LCHJPNTUTPOAGA-SKDRFNHKSA-N 1 2 296.371 -1.020 20 0 CAADLO CC(=O)N[C@H](C)C(=O)N[C@H]1CC[N@@H+](CC(=O)NC2CC2)C1 ZINC001419056263 890294287 /nfs/dbraw/zinc/29/42/87/890294287.db2.gz LCHJPNTUTPOAGA-SKDRFNHKSA-N 1 2 296.371 -1.020 20 0 CAADLO CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H](C)CC(N)=O)C1 ZINC001419064020 890295338 /nfs/dbraw/zinc/29/53/38/890295338.db2.gz XRRZABDOSJRUGR-ZJUUUORDSA-N 1 2 284.360 -1.176 20 0 CAADLO CCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@H](C)CC(N)=O)C1 ZINC001419064020 890295352 /nfs/dbraw/zinc/29/53/52/890295352.db2.gz XRRZABDOSJRUGR-ZJUUUORDSA-N 1 2 284.360 -1.176 20 0 CAADLO CNC(=O)C[NH+]1CC(CNC(=O)[C@H](NC(C)=O)C(C)C)C1 ZINC001419040104 890295389 /nfs/dbraw/zinc/29/53/89/890295389.db2.gz ANPXYSPONSPULR-CYBMUJFWSA-N 1 2 298.387 -1.059 20 0 CAADLO O=C(Cn1cncn1)NCC1C[NH+]([C@H]2CCNC2=O)C1 ZINC001419046638 890295519 /nfs/dbraw/zinc/29/55/19/890295519.db2.gz ORGSCDZWQVRZHN-JTQLQIEISA-N 1 2 278.316 -1.785 20 0 CAADLO CC(C)(C)C(=O)NCC(=O)NCC1C[NH+](CC(N)=O)C1 ZINC001419043845 890296099 /nfs/dbraw/zinc/29/60/99/890296099.db2.gz GAAYDPIOEOOYMM-UHFFFAOYSA-N 1 2 284.360 -1.318 20 0 CAADLO CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)Cn2cncn2)C1 ZINC001419064467 890296198 /nfs/dbraw/zinc/29/61/98/890296198.db2.gz KNZMOQBOCQQMLP-JTQLQIEISA-N 1 2 280.332 -1.395 20 0 CAADLO CCNC(=O)C[N@H+]1CC[C@H](NC(=O)Cn2cncn2)C1 ZINC001419064467 890296211 /nfs/dbraw/zinc/29/62/11/890296211.db2.gz KNZMOQBOCQQMLP-JTQLQIEISA-N 1 2 280.332 -1.395 20 0 CAADLO CS(=O)(=O)CCCC(=O)NCC1C[NH+](CCO)C1 ZINC001419038552 890296942 /nfs/dbraw/zinc/29/69/42/890296942.db2.gz VOIHATZPMGYHNS-UHFFFAOYSA-N 1 2 278.374 -1.149 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@@H](NC(=O)CCn2cnnn2)C1 ZINC001419095707 890298275 /nfs/dbraw/zinc/29/82/75/890298275.db2.gz QWKMWHZZRQHRAE-SECBINFHSA-N 1 2 281.320 -1.871 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@@H](NC(=O)CCn2cnnn2)C1 ZINC001419095707 890298290 /nfs/dbraw/zinc/29/82/90/890298290.db2.gz QWKMWHZZRQHRAE-SECBINFHSA-N 1 2 281.320 -1.871 20 0 CAADLO COCC(=O)NCCC(=O)N[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001419082286 890299774 /nfs/dbraw/zinc/29/97/74/890299774.db2.gz AEAFFTSGQMBDAM-SECBINFHSA-N 1 2 286.332 -2.185 20 0 CAADLO COCC(=O)NCCC(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001419082286 890299782 /nfs/dbraw/zinc/29/97/82/890299782.db2.gz AEAFFTSGQMBDAM-SECBINFHSA-N 1 2 286.332 -2.185 20 0 CAADLO CNC(=O)C[N@@H+]1CCC[C@H](NC(=O)C[C@H](C)NC(N)=O)C1 ZINC001419096701 890300321 /nfs/dbraw/zinc/30/03/21/890300321.db2.gz YUPZPGNOVACARH-UWVGGRQHSA-N 1 2 299.375 -1.240 20 0 CAADLO CNC(=O)C[N@H+]1CCC[C@H](NC(=O)C[C@H](C)NC(N)=O)C1 ZINC001419096701 890300337 /nfs/dbraw/zinc/30/03/37/890300337.db2.gz YUPZPGNOVACARH-UWVGGRQHSA-N 1 2 299.375 -1.240 20 0 CAADLO CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC(=O)N(C)C2)C1 ZINC001419082647 890300505 /nfs/dbraw/zinc/30/05/05/890300505.db2.gz YQRTXYBLTBPSIF-WDEREUQCSA-N 1 2 296.371 -1.209 20 0 CAADLO CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CC(=O)N(C)C2)C1 ZINC001419082647 890300522 /nfs/dbraw/zinc/30/05/22/890300522.db2.gz YQRTXYBLTBPSIF-WDEREUQCSA-N 1 2 296.371 -1.209 20 0 CAADLO CNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)[C@H](C)NC(C)=O)C1 ZINC001419088127 890301630 /nfs/dbraw/zinc/30/16/30/890301630.db2.gz KZNWOSHISNMFRS-GXSJLCMTSA-N 1 2 284.360 -1.162 20 0 CAADLO CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cn(C)nn2)C1 ZINC001419081519 890301946 /nfs/dbraw/zinc/30/19/46/890301946.db2.gz MVACQRNQBLLFQR-SECBINFHSA-N 1 2 280.332 -1.245 20 0 CAADLO CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cn(C)nn2)C1 ZINC001419081519 890301966 /nfs/dbraw/zinc/30/19/66/890301966.db2.gz MVACQRNQBLLFQR-SECBINFHSA-N 1 2 280.332 -1.245 20 0 CAADLO CCOCC(=O)NCCN1CC[NH+]([C@@H](C)C(N)=O)CC1 ZINC001419116097 890302818 /nfs/dbraw/zinc/30/28/18/890302818.db2.gz SHKQKOKOLGRYMD-NSHDSACASA-N 1 2 286.376 -1.370 20 0 CAADLO CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCNC(=O)C2)C1 ZINC001419154184 890303234 /nfs/dbraw/zinc/30/32/34/890303234.db2.gz ITMWSZPGZINVDY-GHMZBOCLSA-N 1 2 296.371 -1.161 20 0 CAADLO CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCNC(=O)C2)C1 ZINC001419154184 890303248 /nfs/dbraw/zinc/30/32/48/890303248.db2.gz ITMWSZPGZINVDY-GHMZBOCLSA-N 1 2 296.371 -1.161 20 0 CAADLO COCC(=O)N[C@H]1CC[N@H+](CCNS(C)(=O)=O)C1 ZINC001419142533 890303564 /nfs/dbraw/zinc/30/35/64/890303564.db2.gz GTTBONADROIVDA-VIFPVBQESA-N 1 2 279.362 -1.628 20 0 CAADLO COCC(=O)N[C@H]1CC[N@@H+](CCNS(C)(=O)=O)C1 ZINC001419142533 890303579 /nfs/dbraw/zinc/30/35/79/890303579.db2.gz GTTBONADROIVDA-VIFPVBQESA-N 1 2 279.362 -1.628 20 0 CAADLO CC(=O)NCC(=O)N[C@@H]1CC[N@@H+](Cc2cnnn2C)C1 ZINC001419144157 890304247 /nfs/dbraw/zinc/30/42/47/890304247.db2.gz QOXPKJZBJLUQNL-SNVBAGLBSA-N 1 2 280.332 -1.358 20 0 CAADLO CC(=O)NCC(=O)N[C@@H]1CC[N@H+](Cc2cnnn2C)C1 ZINC001419144157 890304265 /nfs/dbraw/zinc/30/42/65/890304265.db2.gz QOXPKJZBJLUQNL-SNVBAGLBSA-N 1 2 280.332 -1.358 20 0 CAADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1cc(CO)on1 ZINC001419135722 890304551 /nfs/dbraw/zinc/30/45/51/890304551.db2.gz IGJRZQICUIQIRQ-VIFPVBQESA-N 1 2 293.283 -1.023 20 0 CAADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1cc(CO)on1 ZINC001419135722 890304565 /nfs/dbraw/zinc/30/45/65/890304565.db2.gz IGJRZQICUIQIRQ-VIFPVBQESA-N 1 2 293.283 -1.023 20 0 CAADLO NC(=O)NC(=O)C[N@@H+]1CC[C@@H](NC(=O)C[C@@H]2CCCO2)C1 ZINC001419143381 890305403 /nfs/dbraw/zinc/30/54/03/890305403.db2.gz RHQKKXUTGRFMPJ-ZJUUUORDSA-N 1 2 298.343 -1.059 20 0 CAADLO NC(=O)NC(=O)C[N@H+]1CC[C@@H](NC(=O)C[C@@H]2CCCO2)C1 ZINC001419143381 890305420 /nfs/dbraw/zinc/30/54/20/890305420.db2.gz RHQKKXUTGRFMPJ-ZJUUUORDSA-N 1 2 298.343 -1.059 20 0 CAADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H](COC)OC ZINC001419139619 890305963 /nfs/dbraw/zinc/30/59/63/890305963.db2.gz WJNYMNHOESDOHO-VHSXEESVSA-N 1 2 284.316 -1.156 20 0 CAADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H](COC)OC ZINC001419139619 890305985 /nfs/dbraw/zinc/30/59/85/890305985.db2.gz WJNYMNHOESDOHO-VHSXEESVSA-N 1 2 284.316 -1.156 20 0 CAADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H]1NC(=O)O[C@@H]1C ZINC001419137852 890307050 /nfs/dbraw/zinc/30/70/50/890307050.db2.gz OOPVUZUDDPENRW-BWVDBABLSA-N 1 2 295.299 -1.320 20 0 CAADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H]1NC(=O)O[C@@H]1C ZINC001419137852 890307064 /nfs/dbraw/zinc/30/70/64/890307064.db2.gz OOPVUZUDDPENRW-BWVDBABLSA-N 1 2 295.299 -1.320 20 0 CAADLO CC(C)NC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001419184794 890308705 /nfs/dbraw/zinc/30/87/05/890308705.db2.gz CTLQLFIDMPFUQY-MNOVXSKESA-N 1 2 296.371 -1.020 20 0 CAADLO CC(C)NC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001419184794 890308719 /nfs/dbraw/zinc/30/87/19/890308719.db2.gz CTLQLFIDMPFUQY-MNOVXSKESA-N 1 2 296.371 -1.020 20 0 CAADLO CC(C)NC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001419184795 890308850 /nfs/dbraw/zinc/30/88/50/890308850.db2.gz CTLQLFIDMPFUQY-QWRGUYRKSA-N 1 2 296.371 -1.020 20 0 CAADLO CC(C)NC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001419184795 890308858 /nfs/dbraw/zinc/30/88/58/890308858.db2.gz CTLQLFIDMPFUQY-QWRGUYRKSA-N 1 2 296.371 -1.020 20 0 CAADLO Cn1cnc(C(=O)N[C@H]2CC[N@H+](CC(=O)NC(N)=O)C2)c1 ZINC001419155562 890310825 /nfs/dbraw/zinc/31/08/25/890310825.db2.gz KFPOGUWAKFOVFG-QMMMGPOBSA-N 1 2 294.315 -1.581 20 0 CAADLO Cn1cnc(C(=O)N[C@H]2CC[N@@H+](CC(=O)NC(N)=O)C2)c1 ZINC001419155562 890310835 /nfs/dbraw/zinc/31/08/35/890310835.db2.gz KFPOGUWAKFOVFG-QMMMGPOBSA-N 1 2 294.315 -1.581 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)CO[C@@H]2CCOC2)C1 ZINC001419163504 890312487 /nfs/dbraw/zinc/31/24/87/890312487.db2.gz POZQCBQLBUAIEB-VHSXEESVSA-N 1 2 271.317 -1.532 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)CO[C@@H]2CCOC2)C1 ZINC001419163504 890312505 /nfs/dbraw/zinc/31/25/05/890312505.db2.gz POZQCBQLBUAIEB-VHSXEESVSA-N 1 2 271.317 -1.532 20 0 CAADLO NC(=O)NC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ccncn2)C1 ZINC001419182918 890312887 /nfs/dbraw/zinc/31/28/87/890312887.db2.gz WPAHZLJODFGGMG-MRVPVSSYSA-N 1 2 292.299 -1.524 20 0 CAADLO NC(=O)NC(=O)C[N@H+]1CC[C@@H](NC(=O)c2ccncn2)C1 ZINC001419182918 890312899 /nfs/dbraw/zinc/31/28/99/890312899.db2.gz WPAHZLJODFGGMG-MRVPVSSYSA-N 1 2 292.299 -1.524 20 0 CAADLO C[C@@H](CS(C)(=O)=O)C(=O)N[C@H]1CC[N@H+](CCO)C1 ZINC001419219601 890313603 /nfs/dbraw/zinc/31/36/03/890313603.db2.gz XWWYVYVMSCZBOE-UWVGGRQHSA-N 1 2 278.374 -1.150 20 0 CAADLO C[C@@H](CS(C)(=O)=O)C(=O)N[C@H]1CC[N@@H+](CCO)C1 ZINC001419219601 890313616 /nfs/dbraw/zinc/31/36/16/890313616.db2.gz XWWYVYVMSCZBOE-UWVGGRQHSA-N 1 2 278.374 -1.150 20 0 CAADLO COCC(=O)NC[C@H]1C[N@H+](C[C@H](O)COC)CCO1 ZINC001419547862 890330418 /nfs/dbraw/zinc/33/04/18/890330418.db2.gz OFGWWIVLGUOZNQ-QWRGUYRKSA-N 1 2 276.333 -1.543 20 0 CAADLO COCC(=O)NC[C@H]1C[N@@H+](C[C@H](O)COC)CCO1 ZINC001419547862 890330428 /nfs/dbraw/zinc/33/04/28/890330428.db2.gz OFGWWIVLGUOZNQ-QWRGUYRKSA-N 1 2 276.333 -1.543 20 0 CAADLO C[C@@H](CC(N)=O)C(=O)N[C@H]1C[C@@H]([NH2+]Cc2nnn(C)n2)C1 ZINC001419507897 890331606 /nfs/dbraw/zinc/33/16/06/890331606.db2.gz VCJIWTREAQJMGC-XHNCKOQMSA-N 1 2 295.347 -1.542 20 0 CAADLO NC(=O)CN1CCO[C@@H](CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001419580486 890333545 /nfs/dbraw/zinc/33/35/45/890333545.db2.gz OXYFQHIOATUBQZ-NSHDSACASA-N 1 2 295.343 -1.355 20 0 CAADLO NC(=O)CN1CCO[C@@H](CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001419580486 890333560 /nfs/dbraw/zinc/33/35/60/890333560.db2.gz OXYFQHIOATUBQZ-NSHDSACASA-N 1 2 295.343 -1.355 20 0 CAADLO NC(=O)CN1CCO[C@H](CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001419580485 890334264 /nfs/dbraw/zinc/33/42/64/890334264.db2.gz OXYFQHIOATUBQZ-LLVKDONJSA-N 1 2 295.343 -1.355 20 0 CAADLO NC(=O)CN1CCO[C@H](CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001419580485 890334280 /nfs/dbraw/zinc/33/42/80/890334280.db2.gz OXYFQHIOATUBQZ-LLVKDONJSA-N 1 2 295.343 -1.355 20 0 CAADLO COCC[N@@H+]1CCO[C@H](CNC(=O)CCNC(N)=O)C1 ZINC001419585335 890334678 /nfs/dbraw/zinc/33/46/78/890334678.db2.gz PLWFFPBEGXKXQN-SNVBAGLBSA-N 1 2 288.348 -1.492 20 0 CAADLO COCC[N@H+]1CCO[C@H](CNC(=O)CCNC(N)=O)C1 ZINC001419585335 890334690 /nfs/dbraw/zinc/33/46/90/890334690.db2.gz PLWFFPBEGXKXQN-SNVBAGLBSA-N 1 2 288.348 -1.492 20 0 CAADLO Cc1nnc(CC(=O)NC[C@@H]2C[N@H+](CCO)CCO2)o1 ZINC001419572256 890335110 /nfs/dbraw/zinc/33/51/10/890335110.db2.gz PZZKJELSAUHVJT-SNVBAGLBSA-N 1 2 284.316 -1.270 20 0 CAADLO Cc1nnc(CC(=O)NC[C@@H]2C[N@@H+](CCO)CCO2)o1 ZINC001419572256 890335129 /nfs/dbraw/zinc/33/51/29/890335129.db2.gz PZZKJELSAUHVJT-SNVBAGLBSA-N 1 2 284.316 -1.270 20 0 CAADLO CNC(=O)CN1CCO[C@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001419575362 890336629 /nfs/dbraw/zinc/33/66/29/890336629.db2.gz CVBHIMGOQYMZAI-SNVBAGLBSA-N 1 2 295.343 -1.485 20 0 CAADLO Cc1noc(C[NH2+]C[C@H](C)N(C)C(=O)[C@H]2CNC(=O)N2)n1 ZINC001419709387 890343857 /nfs/dbraw/zinc/34/38/57/890343857.db2.gz KYIKHEUUSQTSHY-IONNQARKSA-N 1 2 296.331 -1.004 20 0 CAADLO Cc1noc(C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]2CNC(=O)N2)n1 ZINC001419709392 890343909 /nfs/dbraw/zinc/34/39/09/890343909.db2.gz KYIKHEUUSQTSHY-VXNVDRBHSA-N 1 2 296.331 -1.004 20 0 CAADLO C[C@@H](CNC(=O)[C@H]1COCCO1)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001419699002 890344077 /nfs/dbraw/zinc/34/40/77/890344077.db2.gz FFIKYEBALRCONJ-DTWKUNHWSA-N 1 2 299.331 -1.882 20 0 CAADLO C[C@@H](CNC(=O)[C@@H]1COCCO1)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001419699005 890345545 /nfs/dbraw/zinc/34/55/45/890345545.db2.gz FFIKYEBALRCONJ-IUCAKERBSA-N 1 2 299.331 -1.882 20 0 CAADLO C[C@H](CNC(=O)[C@H]1COC(=O)N1)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001419729872 890347158 /nfs/dbraw/zinc/34/71/58/890347158.db2.gz HAKSZQYBRFZGQD-RNFRBKRXSA-N 1 2 298.303 -2.189 20 0 CAADLO C[C@H](CNC(=O)CN1CCOCC1)[NH2+]Cc1cnon1 ZINC001419733298 890348970 /nfs/dbraw/zinc/34/89/70/890348970.db2.gz WTBLOBLQONQCOO-SNVBAGLBSA-N 1 2 283.332 -1.004 20 0 CAADLO C[C@H](CNC(=O)[C@@H]1COC(=O)N1)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001419729874 890348642 /nfs/dbraw/zinc/34/86/42/890348642.db2.gz HAKSZQYBRFZGQD-RQJHMYQMSA-N 1 2 298.303 -2.189 20 0 CAADLO C[C@@H](CNC(=O)c1cn[nH]n1)[NH2+][C@@H](C)c1nnnn1C ZINC001419783019 890355999 /nfs/dbraw/zinc/35/59/99/890355999.db2.gz GSOXGQDMPYKOQO-BQBZGAKWSA-N 1 2 279.308 -1.203 20 0 CAADLO C[C@@H](CNC(=O)c1cnn[nH]1)[NH2+][C@@H](C)c1nnnn1C ZINC001419783019 890356013 /nfs/dbraw/zinc/35/60/13/890356013.db2.gz GSOXGQDMPYKOQO-BQBZGAKWSA-N 1 2 279.308 -1.203 20 0 CAADLO C[C@H](CC(N)=O)C(=O)NC[C@H](C)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001419825023 890357064 /nfs/dbraw/zinc/35/70/64/890357064.db2.gz KHMFCHGLVDJQNI-SFYZADRCSA-N 1 2 298.347 -1.786 20 0 CAADLO C[C@@H](CNC(=O)[C@@H](C)CC(N)=O)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001419825031 890357173 /nfs/dbraw/zinc/35/71/73/890357173.db2.gz KHMFCHGLVDJQNI-YUMQZZPRSA-N 1 2 298.347 -1.786 20 0 CAADLO CCc1nnc(C[NH2+][C@@H](C)CNC(=O)[C@@H]2CNC(=O)N2)o1 ZINC001419826191 890357751 /nfs/dbraw/zinc/35/77/51/890357751.db2.gz USCOPVWGIRUBPA-YUMQZZPRSA-N 1 2 296.331 -1.092 20 0 CAADLO CCc1nnc(C[NH2+][C@H](C)CNC(=O)[C@@H]2CNC(=O)N2)o1 ZINC001419826189 890359861 /nfs/dbraw/zinc/35/98/61/890359861.db2.gz USCOPVWGIRUBPA-SFYZADRCSA-N 1 2 296.331 -1.092 20 0 CAADLO C[C@@H](CNC(=O)c1nnn(C)n1)[NH2+]Cc1nncs1 ZINC001419816167 890360507 /nfs/dbraw/zinc/36/05/07/890360507.db2.gz OBKLIZNUQRISLM-LURJTMIESA-N 1 2 282.333 -1.030 20 0 CAADLO C[C@@H](CNC(=O)Cc1nc[nH]n1)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001419904303 890361160 /nfs/dbraw/zinc/36/11/60/890361160.db2.gz VBYHDGXOKZTDSR-ZETCQYMHSA-N 1 2 294.319 -1.937 20 0 CAADLO C[C@@H](CNC(=O)Cc1nnc[nH]1)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001419904303 890361173 /nfs/dbraw/zinc/36/11/73/890361173.db2.gz VBYHDGXOKZTDSR-ZETCQYMHSA-N 1 2 294.319 -1.937 20 0 CAADLO CNC(=O)C[N@@H+]1CCCN(C(=O)CCC(N)=O)CC1 ZINC001419905761 890363753 /nfs/dbraw/zinc/36/37/53/890363753.db2.gz IDJGYQUUKZGDDI-UHFFFAOYSA-N 1 2 270.333 -1.468 20 0 CAADLO CNC(=O)C[N@H+]1CCCN(C(=O)CCC(N)=O)CC1 ZINC001419905761 890363769 /nfs/dbraw/zinc/36/37/69/890363769.db2.gz IDJGYQUUKZGDDI-UHFFFAOYSA-N 1 2 270.333 -1.468 20 0 CAADLO C[C@H](CNC(=O)Cc1nc[nH]n1)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001419904293 890364577 /nfs/dbraw/zinc/36/45/77/890364577.db2.gz VBYHDGXOKZTDSR-SSDOTTSWSA-N 1 2 294.319 -1.937 20 0 CAADLO C[C@H](CNC(=O)Cc1nnc[nH]1)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001419904293 890364590 /nfs/dbraw/zinc/36/45/90/890364590.db2.gz VBYHDGXOKZTDSR-SSDOTTSWSA-N 1 2 294.319 -1.937 20 0 CAADLO CNC(=O)C[N@H+](C)CCN(C)C(=O)[C@H]1COCCO1 ZINC001419950278 890366264 /nfs/dbraw/zinc/36/62/64/890366264.db2.gz PPFGXXFZPFKXNR-SNVBAGLBSA-N 1 2 273.333 -1.462 20 0 CAADLO CNC(=O)C[N@@H+](C)CCN(C)C(=O)[C@H]1COCCO1 ZINC001419950278 890366276 /nfs/dbraw/zinc/36/62/76/890366276.db2.gz PPFGXXFZPFKXNR-SNVBAGLBSA-N 1 2 273.333 -1.462 20 0 CAADLO CNC(=O)C[N@H+](C)CCN(C)C(=O)[C@@H]1COCCO1 ZINC001419950276 890367117 /nfs/dbraw/zinc/36/71/17/890367117.db2.gz PPFGXXFZPFKXNR-JTQLQIEISA-N 1 2 273.333 -1.462 20 0 CAADLO CNC(=O)C[N@@H+](C)CCN(C)C(=O)[C@@H]1COCCO1 ZINC001419950276 890367137 /nfs/dbraw/zinc/36/71/37/890367137.db2.gz PPFGXXFZPFKXNR-JTQLQIEISA-N 1 2 273.333 -1.462 20 0 CAADLO CN(CC[N@H+](C)Cc1cnnn1C)C(=O)Cn1cnnn1 ZINC001419937517 890368011 /nfs/dbraw/zinc/36/80/11/890368011.db2.gz CEKQMCQSGAXMLO-UHFFFAOYSA-N 1 2 293.335 -1.608 20 0 CAADLO CN(CC[N@@H+](C)Cc1cnnn1C)C(=O)Cn1cnnn1 ZINC001419937517 890368025 /nfs/dbraw/zinc/36/80/25/890368025.db2.gz CEKQMCQSGAXMLO-UHFFFAOYSA-N 1 2 293.335 -1.608 20 0 CAADLO CNC(=O)[C@H](C)[NH2+]C[C@@H]1CCN(C(=O)Cc2ncn[nH]2)C1 ZINC001419987006 890368600 /nfs/dbraw/zinc/36/86/00/890368600.db2.gz BSKLWMKRESHTLY-UWVGGRQHSA-N 1 2 294.359 -1.080 20 0 CAADLO CCc1[nH]c(CNC(=O)CNS(=O)(=O)NC)c[nH+]1 ZINC001419971580 890369316 /nfs/dbraw/zinc/36/93/16/890369316.db2.gz HWOWECMUKGIUOF-UHFFFAOYSA-N 1 2 275.334 -1.358 20 0 CAADLO CCc1[nH]cc(CNC(=O)CNS(=O)(=O)NC)[nH+]1 ZINC001419971580 890369332 /nfs/dbraw/zinc/36/93/32/890369332.db2.gz HWOWECMUKGIUOF-UHFFFAOYSA-N 1 2 275.334 -1.358 20 0 CAADLO CN(CC[N@H+](C)CC(N)=O)C(=O)c1cnc2n1CCOC2 ZINC001419970979 890369637 /nfs/dbraw/zinc/36/96/37/890369637.db2.gz IKNBNNGXHVPNRZ-UHFFFAOYSA-N 1 2 295.343 -1.098 20 0 CAADLO CN(CC[N@@H+](C)CC(N)=O)C(=O)c1cnc2n1CCOC2 ZINC001419970979 890369649 /nfs/dbraw/zinc/36/96/49/890369649.db2.gz IKNBNNGXHVPNRZ-UHFFFAOYSA-N 1 2 295.343 -1.098 20 0 CAADLO CCNC(=O)C[N@H+](C)CCN(C)C(=O)[C@H]1COCCO1 ZINC001419948054 890371562 /nfs/dbraw/zinc/37/15/62/890371562.db2.gz GWUXJPKTBYLJLA-LLVKDONJSA-N 1 2 287.360 -1.072 20 0 CAADLO CCNC(=O)C[N@@H+](C)CCN(C)C(=O)[C@H]1COCCO1 ZINC001419948054 890371574 /nfs/dbraw/zinc/37/15/74/890371574.db2.gz GWUXJPKTBYLJLA-LLVKDONJSA-N 1 2 287.360 -1.072 20 0 CAADLO CO[C@@H](C(=O)N(C)CC[N@H+](C)CC(N)=O)c1cnn(C)c1 ZINC001419995827 890372190 /nfs/dbraw/zinc/37/21/90/890372190.db2.gz OJYBHONNFRFQGO-GFCCVEGCSA-N 1 2 297.359 -1.017 20 0 CAADLO CO[C@@H](C(=O)N(C)CC[N@@H+](C)CC(N)=O)c1cnn(C)c1 ZINC001419995827 890372206 /nfs/dbraw/zinc/37/22/06/890372206.db2.gz OJYBHONNFRFQGO-GFCCVEGCSA-N 1 2 297.359 -1.017 20 0 CAADLO CN(CC[N@H+](C)CC(N)=O)C(=O)Cn1ccc(=O)[nH]c1=O ZINC001419990312 890372374 /nfs/dbraw/zinc/37/23/74/890372374.db2.gz RRDDUKSJJSAHLU-UHFFFAOYSA-N 1 2 297.315 -2.176 20 0 CAADLO CN(CC[N@@H+](C)CC(N)=O)C(=O)Cn1ccc(=O)[nH]c1=O ZINC001419990312 890372390 /nfs/dbraw/zinc/37/23/90/890372390.db2.gz RRDDUKSJJSAHLU-UHFFFAOYSA-N 1 2 297.315 -2.176 20 0 CAADLO CN(CC[N@H+](C)CC(N)=O)C(=O)c1ccc(C(N)=O)nc1 ZINC001420058189 890377335 /nfs/dbraw/zinc/37/73/35/890377335.db2.gz LSYTWGXKRDMPGO-UHFFFAOYSA-N 1 2 293.327 -1.330 20 0 CAADLO CN(CC[N@@H+](C)CC(N)=O)C(=O)c1ccc(C(N)=O)nc1 ZINC001420058189 890377350 /nfs/dbraw/zinc/37/73/50/890377350.db2.gz LSYTWGXKRDMPGO-UHFFFAOYSA-N 1 2 293.327 -1.330 20 0 CAADLO CNC(=O)[C@H](C)[NH2+]C[C@@H](O)CNC(=O)c1[nH]nc(C)c1C ZINC001420114631 890389767 /nfs/dbraw/zinc/38/97/67/890389767.db2.gz QQRUIYWWCRUVES-VHSXEESVSA-N 1 2 297.359 -1.159 20 0 CAADLO Cc1n[nH]c(C(=O)NC[C@@H](O)C[NH2+][C@@H](C)C(N)=O)c1C ZINC001420117126 890392727 /nfs/dbraw/zinc/39/27/27/890392727.db2.gz WDYVJQVPCXKOOU-IUCAKERBSA-N 1 2 283.332 -1.419 20 0 CAADLO COC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H]1COC(=O)N1 ZINC001420144664 890399828 /nfs/dbraw/zinc/39/98/28/890399828.db2.gz UXWHBWXCPSODIN-HTQZYQBOSA-N 1 2 282.256 -1.282 20 0 CAADLO COC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H]1COC(=O)N1 ZINC001420144664 890399843 /nfs/dbraw/zinc/39/98/43/890399843.db2.gz UXWHBWXCPSODIN-HTQZYQBOSA-N 1 2 282.256 -1.282 20 0 CAADLO CCNC(=O)C[N@H+](C)CCNC(=O)CNC(=O)OC ZINC001420182033 890406564 /nfs/dbraw/zinc/40/65/64/890406564.db2.gz ODSDESHYGMBOQI-UHFFFAOYSA-N 1 2 274.321 -1.474 20 0 CAADLO CCNC(=O)C[N@@H+](C)CCNC(=O)CNC(=O)OC ZINC001420182033 890406579 /nfs/dbraw/zinc/40/65/79/890406579.db2.gz ODSDESHYGMBOQI-UHFFFAOYSA-N 1 2 274.321 -1.474 20 0 CAADLO CC(=O)N[C@@H](C)C(=O)NCC[N@H+](C)CC(=O)N(C)C ZINC001420178884 890406849 /nfs/dbraw/zinc/40/68/49/890406849.db2.gz PQHPVFINZCXSNT-VIFPVBQESA-N 1 2 272.349 -1.353 20 0 CAADLO CC(=O)N[C@@H](C)C(=O)NCC[N@@H+](C)CC(=O)N(C)C ZINC001420178884 890406860 /nfs/dbraw/zinc/40/68/60/890406860.db2.gz PQHPVFINZCXSNT-VIFPVBQESA-N 1 2 272.349 -1.353 20 0 CAADLO CN(C)C(=O)C[N@H+](C)CCNC(=O)[C@@H]1COCCO1 ZINC001420179264 890408563 /nfs/dbraw/zinc/40/85/63/890408563.db2.gz CLLRVCWCIMOYFN-JTQLQIEISA-N 1 2 273.333 -1.462 20 0 CAADLO CN(C)C(=O)C[N@@H+](C)CCNC(=O)[C@@H]1COCCO1 ZINC001420179264 890408573 /nfs/dbraw/zinc/40/85/73/890408573.db2.gz CLLRVCWCIMOYFN-JTQLQIEISA-N 1 2 273.333 -1.462 20 0 CAADLO C[C@H](C(=O)NCC[N@H+](C)CC(=O)N(C)C)n1cncn1 ZINC001420194471 890410539 /nfs/dbraw/zinc/41/05/39/890410539.db2.gz QZXPPRFQEHEPGZ-SNVBAGLBSA-N 1 2 282.348 -1.025 20 0 CAADLO Cc1cc(C[NH2+]C[C@@H](O)CNC(=O)c2ncn[nH]2)nn1C ZINC001420191987 890410434 /nfs/dbraw/zinc/41/04/34/890410434.db2.gz HMCJLOKAPYJCNJ-SNVBAGLBSA-N 1 2 293.331 -1.273 20 0 CAADLO Cc1cc(C[NH2+]C[C@@H](O)CNC(=O)c2nc[nH]n2)nn1C ZINC001420191987 890410436 /nfs/dbraw/zinc/41/04/36/890410436.db2.gz HMCJLOKAPYJCNJ-SNVBAGLBSA-N 1 2 293.331 -1.273 20 0 CAADLO CNC(=O)NCCC(=O)NCC[N@H+](C)CC(=O)N1CCC1 ZINC001420206054 890413241 /nfs/dbraw/zinc/41/32/41/890413241.db2.gz GTXMFEHRQAXUAY-UHFFFAOYSA-N 1 2 299.375 -1.414 20 0 CAADLO CNC(=O)NCCC(=O)NCC[N@@H+](C)CC(=O)N1CCC1 ZINC001420206054 890413248 /nfs/dbraw/zinc/41/32/48/890413248.db2.gz GTXMFEHRQAXUAY-UHFFFAOYSA-N 1 2 299.375 -1.414 20 0 CAADLO Cc1noc(C[NH2+]C[C@@H](O)CNC(=O)c2nonc2C)n1 ZINC001420206681 890414133 /nfs/dbraw/zinc/41/41/33/890414133.db2.gz RXAYXWITKBGJGC-MRVPVSSYSA-N 1 2 296.287 -1.050 20 0 CAADLO Cc1noc(C[NH2+]C[C@H](O)CNC(=O)c2nonc2C)n1 ZINC001420206684 890414480 /nfs/dbraw/zinc/41/44/80/890414480.db2.gz RXAYXWITKBGJGC-QMMMGPOBSA-N 1 2 296.287 -1.050 20 0 CAADLO Cc1cc(C[NH2+]C[C@H](O)CNC(=O)Cc2nnc[nH]2)on1 ZINC001420202481 890415877 /nfs/dbraw/zinc/41/58/77/890415877.db2.gz YTBIVUWZMOUTBP-VIFPVBQESA-N 1 2 294.315 -1.089 20 0 CAADLO C[N@H+](CCNC(=O)[C@@H]1COC(=O)N1)CC(=O)N1CCC1 ZINC001420213547 890417403 /nfs/dbraw/zinc/41/74/03/890417403.db2.gz UQRONSFIKZOBJK-VIFPVBQESA-N 1 2 284.316 -1.625 20 0 CAADLO C[N@@H+](CCNC(=O)[C@@H]1COC(=O)N1)CC(=O)N1CCC1 ZINC001420213547 890417408 /nfs/dbraw/zinc/41/74/08/890417408.db2.gz UQRONSFIKZOBJK-VIFPVBQESA-N 1 2 284.316 -1.625 20 0 CAADLO C[C@H](NC(N)=O)C(=O)NCC[N@H+](C)CC(=O)N1CCCC1 ZINC001420214180 890417842 /nfs/dbraw/zinc/41/78/42/890417842.db2.gz NWCUTEBWOCHJST-JTQLQIEISA-N 1 2 299.375 -1.286 20 0 CAADLO C[C@H](NC(N)=O)C(=O)NCC[N@@H+](C)CC(=O)N1CCCC1 ZINC001420214180 890417847 /nfs/dbraw/zinc/41/78/47/890417847.db2.gz NWCUTEBWOCHJST-JTQLQIEISA-N 1 2 299.375 -1.286 20 0 CAADLO Cc1nn(C)c(C)c1OCC(=O)NCC[N@H+](C)CC(N)=O ZINC001420218256 890418935 /nfs/dbraw/zinc/41/89/35/890418935.db2.gz QLIGSXLUFUKCQK-UHFFFAOYSA-N 1 2 297.359 -1.051 20 0 CAADLO Cc1nn(C)c(C)c1OCC(=O)NCC[N@@H+](C)CC(N)=O ZINC001420218256 890418942 /nfs/dbraw/zinc/41/89/42/890418942.db2.gz QLIGSXLUFUKCQK-UHFFFAOYSA-N 1 2 297.359 -1.051 20 0 CAADLO CNC(=O)NC(=O)C[N@H+](C)CCNC(=O)c1cn[nH]n1 ZINC001420248974 890420766 /nfs/dbraw/zinc/42/07/66/890420766.db2.gz VBOWUORLRYWFPF-UHFFFAOYSA-N 1 2 283.292 -2.078 20 0 CAADLO CNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)c1cn[nH]n1 ZINC001420248974 890420774 /nfs/dbraw/zinc/42/07/74/890420774.db2.gz VBOWUORLRYWFPF-UHFFFAOYSA-N 1 2 283.292 -2.078 20 0 CAADLO C[N@H+](CCNC(=O)[C@@H]1CCn2ccnc2C1)CC(N)=O ZINC001420251540 890421157 /nfs/dbraw/zinc/42/11/57/890421157.db2.gz GSZUNHDHHFENCW-SNVBAGLBSA-N 1 2 279.344 -1.021 20 0 CAADLO C[N@@H+](CCNC(=O)[C@@H]1CCn2ccnc2C1)CC(N)=O ZINC001420251540 890421169 /nfs/dbraw/zinc/42/11/69/890421169.db2.gz GSZUNHDHHFENCW-SNVBAGLBSA-N 1 2 279.344 -1.021 20 0 CAADLO C[N@H+](CCNC(=O)CCCS(N)(=O)=O)CC(N)=O ZINC001420283161 890425342 /nfs/dbraw/zinc/42/53/42/890425342.db2.gz POIKFVGRIOZYCQ-UHFFFAOYSA-N 1 2 280.350 -2.412 20 0 CAADLO C[N@@H+](CCNC(=O)CCCS(N)(=O)=O)CC(N)=O ZINC001420283161 890425354 /nfs/dbraw/zinc/42/53/54/890425354.db2.gz POIKFVGRIOZYCQ-UHFFFAOYSA-N 1 2 280.350 -2.412 20 0 CAADLO CN(C)C(=O)C[N@H+](C)CCNC(=O)[C@]1(C)CCC(=O)N1 ZINC001420293950 890425923 /nfs/dbraw/zinc/42/59/23/890425923.db2.gz LZKQDINTFYGQKE-ZDUSSCGKSA-N 1 2 284.360 -1.209 20 0 CAADLO CN(C)C(=O)C[N@@H+](C)CCNC(=O)[C@]1(C)CCC(=O)N1 ZINC001420293950 890425935 /nfs/dbraw/zinc/42/59/35/890425935.db2.gz LZKQDINTFYGQKE-ZDUSSCGKSA-N 1 2 284.360 -1.209 20 0 CAADLO CCNC(=O)C[N@H+](C)CCNC(=O)c1c[nH]c(=O)cn1 ZINC001420285445 890426872 /nfs/dbraw/zinc/42/68/72/890426872.db2.gz VABKGIQDFHIFKE-UHFFFAOYSA-N 1 2 281.316 -1.432 20 0 CAADLO CCNC(=O)C[N@@H+](C)CCNC(=O)c1c[nH]c(=O)cn1 ZINC001420285445 890426879 /nfs/dbraw/zinc/42/68/79/890426879.db2.gz VABKGIQDFHIFKE-UHFFFAOYSA-N 1 2 281.316 -1.432 20 0 CAADLO CCN(CC)C(=O)C[N@H+](C)CCNC(=O)[C@H]1CNC(=O)N1 ZINC001420296342 890429108 /nfs/dbraw/zinc/42/91/08/890429108.db2.gz XVOKDCPUSFQBDX-SNVBAGLBSA-N 1 2 299.375 -1.416 20 0 CAADLO CCN(CC)C(=O)C[N@@H+](C)CCNC(=O)[C@H]1CNC(=O)N1 ZINC001420296342 890429113 /nfs/dbraw/zinc/42/91/13/890429113.db2.gz XVOKDCPUSFQBDX-SNVBAGLBSA-N 1 2 299.375 -1.416 20 0 CAADLO C[N@H+](CCNC(=O)Cc1nnc[nH]1)[C@H]1CCCNC1=O ZINC001420327849 890429164 /nfs/dbraw/zinc/42/91/64/890429164.db2.gz HQRNCFWHZIOQJD-VIFPVBQESA-N 1 2 280.332 -1.326 20 0 CAADLO C[N@@H+](CCNC(=O)Cc1nnc[nH]1)[C@H]1CCCNC1=O ZINC001420327849 890429169 /nfs/dbraw/zinc/42/91/69/890429169.db2.gz HQRNCFWHZIOQJD-VIFPVBQESA-N 1 2 280.332 -1.326 20 0 CAADLO C[N@H+](CCNC(=O)Cc1nnc[nH]1)[C@@H]1CCCNC1=O ZINC001420327844 890430732 /nfs/dbraw/zinc/43/07/32/890430732.db2.gz HQRNCFWHZIOQJD-SECBINFHSA-N 1 2 280.332 -1.326 20 0 CAADLO C[N@@H+](CCNC(=O)Cc1nnc[nH]1)[C@@H]1CCCNC1=O ZINC001420327844 890430741 /nfs/dbraw/zinc/43/07/41/890430741.db2.gz HQRNCFWHZIOQJD-SECBINFHSA-N 1 2 280.332 -1.326 20 0 CAADLO C[N@H+](CCNC(=O)c1ccc(C(N)=O)cc1)CC(N)=O ZINC001420346395 890432838 /nfs/dbraw/zinc/43/28/38/890432838.db2.gz PCTWFZMSYVGPIC-UHFFFAOYSA-N 1 2 278.312 -1.068 20 0 CAADLO C[N@@H+](CCNC(=O)c1ccc(C(N)=O)cc1)CC(N)=O ZINC001420346395 890432848 /nfs/dbraw/zinc/43/28/48/890432848.db2.gz PCTWFZMSYVGPIC-UHFFFAOYSA-N 1 2 278.312 -1.068 20 0 CAADLO C[N@H+](CCNC(=O)CCN1CCCC1=O)CC(N)=O ZINC001420357863 890433151 /nfs/dbraw/zinc/43/31/51/890433151.db2.gz QINHKUGDCCKIDH-UHFFFAOYSA-N 1 2 270.333 -1.468 20 0 CAADLO C[N@@H+](CCNC(=O)CCN1CCCC1=O)CC(N)=O ZINC001420357863 890433157 /nfs/dbraw/zinc/43/31/57/890433157.db2.gz QINHKUGDCCKIDH-UHFFFAOYSA-N 1 2 270.333 -1.468 20 0 CAADLO Cc1nnc(C[NH2+]C[C@@H](C)NC(=O)[C@H]2CNC(=O)N2)o1 ZINC001420346479 890433629 /nfs/dbraw/zinc/43/36/29/890433629.db2.gz TYHOKXFUXVEFJD-HTRCEHHLSA-N 1 2 282.304 -1.346 20 0 CAADLO CNC(=O)C[N@H+](C)CCNC(=O)c1cc(C(N)=O)ccn1 ZINC001420364372 890436477 /nfs/dbraw/zinc/43/64/77/890436477.db2.gz NTFSYFBARLXYSA-UHFFFAOYSA-N 1 2 293.327 -1.412 20 0 CAADLO CNC(=O)C[N@@H+](C)CCNC(=O)c1cc(C(N)=O)ccn1 ZINC001420364372 890436487 /nfs/dbraw/zinc/43/64/87/890436487.db2.gz NTFSYFBARLXYSA-UHFFFAOYSA-N 1 2 293.327 -1.412 20 0 CAADLO C[C@@H](C[NH2+]Cc1csnn1)NC(=O)Cn1cnnn1 ZINC001420396898 890437124 /nfs/dbraw/zinc/43/71/24/890437124.db2.gz IDWMSWJLEBMDIN-ZETCQYMHSA-N 1 2 282.333 -1.181 20 0 CAADLO C[C@@H](C[NH2+]Cc1cnon1)NC(=O)C1CS(=O)(=O)C1 ZINC001420419365 890439500 /nfs/dbraw/zinc/43/95/00/890439500.db2.gz RMIIXKZLJYRIHE-ZETCQYMHSA-N 1 2 288.329 -1.292 20 0 CAADLO C[C@@H](C[NH2+]Cc1nc(=O)n(C)[nH]1)NC(=O)Cc1cc[nH]n1 ZINC001420407050 890439597 /nfs/dbraw/zinc/43/95/97/890439597.db2.gz YQONESWCIXZWBJ-QMMMGPOBSA-N 1 2 293.331 -1.332 20 0 CAADLO C[C@H](C[NH2+]Cc1ncnn1C)NC(=O)Cc1nnc[nH]1 ZINC001420423118 890441861 /nfs/dbraw/zinc/44/18/61/890441861.db2.gz BZUNJHVYBCQFFH-MRVPVSSYSA-N 1 2 278.320 -1.230 20 0 CAADLO O=C(Cc1nnc[nH]1)NC[C@H]1CCC[N@H+]1[C@H]1CCNC1=O ZINC001420491742 890444008 /nfs/dbraw/zinc/44/40/08/890444008.db2.gz FISSOHKHWQUEAN-ZJUUUORDSA-N 1 2 292.343 -1.184 20 0 CAADLO O=C(Cc1nnc[nH]1)NC[C@H]1CCC[N@H+]1[C@@H]1CCNC1=O ZINC001420491739 890446004 /nfs/dbraw/zinc/44/60/04/890446004.db2.gz FISSOHKHWQUEAN-NXEZZACHSA-N 1 2 292.343 -1.184 20 0 CAADLO C[C@@H](CNCc1nnn(C)n1)NC(=O)Cc1c[nH+]cn1C ZINC001420507427 890449021 /nfs/dbraw/zinc/44/90/21/890449021.db2.gz MVXCJJSIHKFGAW-VIFPVBQESA-N 1 2 292.347 -1.219 20 0 CAADLO COCC(=O)NCC[N@H+](Cc1nc(=O)n(C)[nH]1)C1CC1 ZINC001420633125 890454533 /nfs/dbraw/zinc/45/45/33/890454533.db2.gz YFUJUZVLWHXULS-UHFFFAOYSA-N 1 2 283.332 -1.165 20 0 CAADLO COCC(=O)NCC[N@@H+](Cc1nc(=O)n(C)[nH]1)C1CC1 ZINC001420633125 890454546 /nfs/dbraw/zinc/45/45/46/890454546.db2.gz YFUJUZVLWHXULS-UHFFFAOYSA-N 1 2 283.332 -1.165 20 0 CAADLO C[N@@H+]1CCO[C@H](C(=O)N[C@](C)(Cn2cccn2)C(N)=O)C1 ZINC001420569157 890455587 /nfs/dbraw/zinc/45/55/87/890455587.db2.gz KNXNZWARUQIFJC-GXFFZTMASA-N 1 2 295.343 -1.426 20 0 CAADLO C[N@H+]1CCO[C@H](C(=O)N[C@](C)(Cn2cccn2)C(N)=O)C1 ZINC001420569157 890455592 /nfs/dbraw/zinc/45/55/92/890455592.db2.gz KNXNZWARUQIFJC-GXFFZTMASA-N 1 2 295.343 -1.426 20 0 CAADLO C[C@@H](CC(=O)NC[C@@H]1CC[N@@H+]1CC(=O)N(C)C)NC(N)=O ZINC001420828506 890463425 /nfs/dbraw/zinc/46/34/25/890463425.db2.gz DKTMUWRZPWCARB-UWVGGRQHSA-N 1 2 299.375 -1.288 20 0 CAADLO C[C@@H](CC(=O)NC[C@@H]1CC[N@H+]1CC(=O)N(C)C)NC(N)=O ZINC001420828506 890463440 /nfs/dbraw/zinc/46/34/40/890463440.db2.gz DKTMUWRZPWCARB-UWVGGRQHSA-N 1 2 299.375 -1.288 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CC[C@H]1CNC(=O)CN1CCOCC1 ZINC001420816495 890465390 /nfs/dbraw/zinc/46/53/90/890465390.db2.gz WFECTOFJJPLKBU-QWRGUYRKSA-N 1 2 284.360 -1.617 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CC[C@H]1CNC(=O)CN1CCOCC1 ZINC001420816495 890465397 /nfs/dbraw/zinc/46/53/97/890465397.db2.gz WFECTOFJJPLKBU-QWRGUYRKSA-N 1 2 284.360 -1.617 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+]1CC[C@@H]1CNC(=O)CNC(C)=O ZINC001420796049 890466044 /nfs/dbraw/zinc/46/60/44/890466044.db2.gz MNCHRECCXUZQLQ-PSASIEDQSA-N 1 2 270.333 -1.553 20 0 CAADLO CC[C@@H](C(N)=O)[N@@H+]1CC[C@@H]1CNC(=O)CNC(=O)C1CC1 ZINC001420802167 890465560 /nfs/dbraw/zinc/46/55/60/890465560.db2.gz JTKOXNOAVAFXFN-MNOVXSKESA-N 1 2 296.371 -1.033 20 0 CAADLO CC[C@@H](C(N)=O)[N@H+]1CC[C@@H]1CNC(=O)CNC(=O)C1CC1 ZINC001420802167 890465568 /nfs/dbraw/zinc/46/55/68/890465568.db2.gz JTKOXNOAVAFXFN-MNOVXSKESA-N 1 2 296.371 -1.033 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+]1CC[C@@H]1CNC(=O)CNC(C)=O ZINC001420796049 890466048 /nfs/dbraw/zinc/46/60/48/890466048.db2.gz MNCHRECCXUZQLQ-PSASIEDQSA-N 1 2 270.333 -1.553 20 0 CAADLO C[C@H](O)C[N@@H+]1CC[C@H]1CNC(=O)CC1CS(=O)(=O)C1 ZINC001420883888 890467288 /nfs/dbraw/zinc/46/72/88/890467288.db2.gz YXZBWWTUTJOXRE-ONGXEEELSA-N 1 2 290.385 -1.008 20 0 CAADLO C[C@H](O)C[N@H+]1CC[C@H]1CNC(=O)CC1CS(=O)(=O)C1 ZINC001420883888 890467291 /nfs/dbraw/zinc/46/72/91/890467291.db2.gz YXZBWWTUTJOXRE-ONGXEEELSA-N 1 2 290.385 -1.008 20 0 CAADLO CCN(C)C(=O)C[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CCC(=O)N1 ZINC001420887158 890467554 /nfs/dbraw/zinc/46/75/54/890467554.db2.gz OTJPTHQTRMGRCL-QWRGUYRKSA-N 1 2 296.371 -1.066 20 0 CAADLO CCN(C)C(=O)C[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CCC(=O)N1 ZINC001420887158 890467565 /nfs/dbraw/zinc/46/75/65/890467565.db2.gz OTJPTHQTRMGRCL-QWRGUYRKSA-N 1 2 296.371 -1.066 20 0 CAADLO CNC(=O)NCC(=O)NC[C@@H]1CC[N@@H+]1[C@H](C)C(N)=O ZINC001420853110 890468540 /nfs/dbraw/zinc/46/85/40/890468540.db2.gz YGPLTCLNDBDASY-SFYZADRCSA-N 1 2 271.321 -2.020 20 0 CAADLO C[C@@H](O)C[N@@H+]1CC[C@H]1CNC(=O)CC1CS(=O)(=O)C1 ZINC001420883882 890468338 /nfs/dbraw/zinc/46/83/38/890468338.db2.gz YXZBWWTUTJOXRE-KOLCDFICSA-N 1 2 290.385 -1.008 20 0 CAADLO C[C@@H](O)C[N@H+]1CC[C@H]1CNC(=O)CC1CS(=O)(=O)C1 ZINC001420883882 890468347 /nfs/dbraw/zinc/46/83/47/890468347.db2.gz YXZBWWTUTJOXRE-KOLCDFICSA-N 1 2 290.385 -1.008 20 0 CAADLO C[C@@H](O)C[N@@H+]1CC[C@@H]1CNC(=O)CC1CS(=O)(=O)C1 ZINC001420883884 890468794 /nfs/dbraw/zinc/46/87/94/890468794.db2.gz YXZBWWTUTJOXRE-MWLCHTKSSA-N 1 2 290.385 -1.008 20 0 CAADLO C[C@@H](O)C[N@H+]1CC[C@@H]1CNC(=O)CC1CS(=O)(=O)C1 ZINC001420883884 890468800 /nfs/dbraw/zinc/46/88/00/890468800.db2.gz YXZBWWTUTJOXRE-MWLCHTKSSA-N 1 2 290.385 -1.008 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CC[C@@H]1CNC(=O)CN(C)C(=O)C1CC1 ZINC001420852093 890469070 /nfs/dbraw/zinc/46/90/70/890469070.db2.gz XCOLXRJPRKZUPB-MWLCHTKSSA-N 1 2 296.371 -1.081 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CC[C@@H]1CNC(=O)CN(C)C(=O)C1CC1 ZINC001420852093 890469078 /nfs/dbraw/zinc/46/90/78/890469078.db2.gz XCOLXRJPRKZUPB-MWLCHTKSSA-N 1 2 296.371 -1.081 20 0 CAADLO CNC(=O)NCC(=O)NC[C@H]1CC[N@@H+]1[C@H](C)C(N)=O ZINC001420853101 890469556 /nfs/dbraw/zinc/46/95/56/890469556.db2.gz YGPLTCLNDBDASY-HTQZYQBOSA-N 1 2 271.321 -2.020 20 0 CAADLO CNC(=O)NCC(=O)NC[C@H]1CC[N@H+]1[C@H](C)C(N)=O ZINC001420853101 890469562 /nfs/dbraw/zinc/46/95/62/890469562.db2.gz YGPLTCLNDBDASY-HTQZYQBOSA-N 1 2 271.321 -2.020 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CC[C@H]1CNC(=O)CCc1cnn(C)n1 ZINC001420852030 890470021 /nfs/dbraw/zinc/47/00/21/890470021.db2.gz BTQXRLKMKJKQFG-KOLCDFICSA-N 1 2 294.359 -1.188 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CC[C@H]1CNC(=O)CCc1cnn(C)n1 ZINC001420852030 890470035 /nfs/dbraw/zinc/47/00/35/890470035.db2.gz BTQXRLKMKJKQFG-KOLCDFICSA-N 1 2 294.359 -1.188 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CC[C@H]1CNC(=O)CN(C)C(=O)C1CC1 ZINC001420852098 890470112 /nfs/dbraw/zinc/47/01/12/890470112.db2.gz XCOLXRJPRKZUPB-ONGXEEELSA-N 1 2 296.371 -1.081 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CC[C@H]1CNC(=O)CN(C)C(=O)C1CC1 ZINC001420852098 890470127 /nfs/dbraw/zinc/47/01/27/890470127.db2.gz XCOLXRJPRKZUPB-ONGXEEELSA-N 1 2 296.371 -1.081 20 0 CAADLO O=C(NN1CN=NC1=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001420919806 890471537 /nfs/dbraw/zinc/47/15/37/890471537.db2.gz KMBOZJJYSORYNM-ZJUUUORDSA-N 1 2 297.315 -1.066 20 0 CAADLO C[C@H](NC(N)=O)C(=O)NCC1([NH2+]Cc2nncn2C)CC1 ZINC001420929090 890471683 /nfs/dbraw/zinc/47/16/83/890471683.db2.gz FSDXYQDCNFLLFL-QMMMGPOBSA-N 1 2 295.347 -1.390 20 0 CAADLO Cc1nonc1C[NH2+]C1(CNC(=O)Cn2cnnn2)CC1 ZINC001420910749 890472661 /nfs/dbraw/zinc/47/26/61/890472661.db2.gz ITCBBEHLXRKYQD-UHFFFAOYSA-N 1 2 292.303 -1.197 20 0 CAADLO Cn1nnnc1C[NH2+]C1(CNC(=O)[C@@H]2CCC(=O)N2)CC1 ZINC001420992954 890476078 /nfs/dbraw/zinc/47/60/78/890476078.db2.gz FFFXMOGVVCFRCH-QMMMGPOBSA-N 1 2 293.331 -1.773 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@@H](NC(=O)CO[C@H]2CCOC2)C1 ZINC001420986020 890476336 /nfs/dbraw/zinc/47/63/36/890476336.db2.gz PIKCDUPQNXHSID-MNOVXSKESA-N 1 2 285.344 -1.142 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@@H](NC(=O)CO[C@H]2CCOC2)C1 ZINC001420986020 890476337 /nfs/dbraw/zinc/47/63/37/890476337.db2.gz PIKCDUPQNXHSID-MNOVXSKESA-N 1 2 285.344 -1.142 20 0 CAADLO CN(CC(=O)NCC1C[NH+](CCF)C1)S(C)(=O)=O ZINC001421139293 890487192 /nfs/dbraw/zinc/48/71/92/890487192.db2.gz PAGZTJUCJVRGDM-UHFFFAOYSA-N 1 2 281.353 -1.105 20 0 CAADLO COC[C@H](O)C[NH+]1CC(NC(=O)CN2CCOCC2)C1 ZINC001421024531 890478885 /nfs/dbraw/zinc/47/88/85/890478885.db2.gz KXSZLFLWNANURL-GFCCVEGCSA-N 1 2 287.360 -1.874 20 0 CAADLO CNC(=O)NCC(=O)NC1CN(Cc2c[nH+]cn2C)C1 ZINC001421036058 890479234 /nfs/dbraw/zinc/47/92/34/890479234.db2.gz QOSARNRAQZTHMT-UHFFFAOYSA-N 1 2 280.332 -1.351 20 0 CAADLO O=C(CNC(=O)c1ccncc1)NC1C[NH+](CCCO)C1 ZINC001421033465 890479853 /nfs/dbraw/zinc/47/98/53/890479853.db2.gz YIGXOLPZLDMQIZ-UHFFFAOYSA-N 1 2 292.339 -1.006 20 0 CAADLO COC[C@H](O)C[NH+]1CC(NC(=O)C2=COCCO2)C1 ZINC001421026210 890480143 /nfs/dbraw/zinc/48/01/43/890480143.db2.gz SNSCBCNERLJHNY-SNVBAGLBSA-N 1 2 272.301 -1.318 20 0 CAADLO COC[C@H](O)C[NH+]1CC(NC(=O)C2CN(C(C)=O)C2)C1 ZINC001421034302 890480311 /nfs/dbraw/zinc/48/03/11/890480311.db2.gz VXMFYOXLLSMLCG-GFCCVEGCSA-N 1 2 285.344 -1.728 20 0 CAADLO COC[C@H](O)C[NH+]1CC(NC(=O)c2cc3n(n2)CCO3)C1 ZINC001421042821 890482033 /nfs/dbraw/zinc/48/20/33/890482033.db2.gz AXPMGLSJIHQCOT-SNVBAGLBSA-N 1 2 296.327 -1.303 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(NC(=O)c2c[nH]c(=O)cn2)C1 ZINC001421065801 890482248 /nfs/dbraw/zinc/48/22/48/890482248.db2.gz VYYUNYFRFCBKRP-VIFPVBQESA-N 1 2 282.300 -1.809 20 0 CAADLO NC(=O)[C@@H]1CC[C@H](CCC(=O)NC2C[NH+](CCCO)C2)O1 ZINC001421053121 890482408 /nfs/dbraw/zinc/48/24/08/890482408.db2.gz YKVCMBBMYSAUHI-NEPJUHHUSA-N 1 2 299.371 -1.018 20 0 CAADLO COCC[NH+]1CC(NC(=O)CN(C)S(C)(=O)=O)C1 ZINC001421050114 890482497 /nfs/dbraw/zinc/48/24/97/890482497.db2.gz OOLJDIUHCLRYSR-UHFFFAOYSA-N 1 2 279.362 -1.675 20 0 CAADLO C[C@@H](O)C[NH+]1CC(NC(=O)CN(C)S(C)(=O)=O)C1 ZINC001421051763 890482508 /nfs/dbraw/zinc/48/25/08/890482508.db2.gz SHTGDVGZZIZKRH-MRVPVSSYSA-N 1 2 279.362 -1.941 20 0 CAADLO CNC(=O)NC(=O)C[NH+]1CC(CNC(=O)COC)C1 ZINC001421102738 890483975 /nfs/dbraw/zinc/48/39/75/890483975.db2.gz KALCQZHXEVKQRU-UHFFFAOYSA-N 1 2 272.305 -1.864 20 0 CAADLO O=C(CNC(=O)c1ccccn1)NC1C[NH+](CCO)C1 ZINC001421097135 890484283 /nfs/dbraw/zinc/48/42/83/890484283.db2.gz BUDFIEMMPISFNI-UHFFFAOYSA-N 1 2 278.312 -1.396 20 0 CAADLO CO[C@H](C)C[NH+]1CC(NC(=O)[C@H](C)NS(C)(=O)=O)C1 ZINC001421068792 890484374 /nfs/dbraw/zinc/48/43/74/890484374.db2.gz RCQCDJYVCYGXKF-BDAKNGLRSA-N 1 2 293.389 -1.241 20 0 CAADLO COC[C@H](O)C[NH+]1CC(N(C)C(=O)c2nnn(C)n2)C1 ZINC001421068924 890484472 /nfs/dbraw/zinc/48/44/72/890484472.db2.gz NULZBPDTMKGNIT-SECBINFHSA-N 1 2 284.320 -2.026 20 0 CAADLO CO[C@H](C)C[NH+]1CC(NC(=O)[C@@H](C)NS(C)(=O)=O)C1 ZINC001421068804 890484841 /nfs/dbraw/zinc/48/48/41/890484841.db2.gz RCQCDJYVCYGXKF-RKDXNWHRSA-N 1 2 293.389 -1.241 20 0 CAADLO CO[C@@H](C)C[NH+]1CC(NC(=O)[C@@H](C)NS(C)(=O)=O)C1 ZINC001421068796 890485064 /nfs/dbraw/zinc/48/50/64/890485064.db2.gz RCQCDJYVCYGXKF-DTWKUNHWSA-N 1 2 293.389 -1.241 20 0 CAADLO C[C@H](NS(C)(=O)=O)C(=O)NC1C[NH+](CCCO)C1 ZINC001421068475 890485198 /nfs/dbraw/zinc/48/51/98/890485198.db2.gz PVANGAPGFSGQIS-QMMMGPOBSA-N 1 2 279.362 -1.893 20 0 CAADLO C[C@@]1(C(=O)NCC2C[NH+]([C@H]3CCNC3=O)C2)CCC(=O)N1 ZINC001421156172 890486936 /nfs/dbraw/zinc/48/69/36/890486936.db2.gz BEYANXHJBAHTMY-HZMBPMFUSA-N 1 2 294.355 -1.408 20 0 CAADLO CC(C)NC(=O)C[NH+]1CC(CNC(=O)Cn2ncnn2)C1 ZINC001421127676 890487273 /nfs/dbraw/zinc/48/72/73/890487273.db2.gz OAUMTMAQDBPQMN-UHFFFAOYSA-N 1 2 295.347 -1.754 20 0 CAADLO C[C@]1(C(=O)NCC2C[NH+](CC(N)=O)C2)CCNC(=O)C1 ZINC001421154442 890487417 /nfs/dbraw/zinc/48/74/17/890487417.db2.gz MVFUKDUWPIHDPZ-ZDUSSCGKSA-N 1 2 282.344 -1.564 20 0 CAADLO CNC(=O)C[NH+]1CC(CNC(=O)[C@@H](COC)OC)C1 ZINC001421156097 890488188 /nfs/dbraw/zinc/48/81/88/890488188.db2.gz AZIMDAJPXYOPBX-SNVBAGLBSA-N 1 2 273.333 -1.558 20 0 CAADLO C[C@H](C(N)=O)[NH+]1CC(CNC(=O)CN2CCOCC2)C1 ZINC001421129007 890488386 /nfs/dbraw/zinc/48/83/86/890488386.db2.gz ZOKQXPDPYCNWHM-SNVBAGLBSA-N 1 2 284.360 -1.760 20 0 CAADLO CNC(=O)NCC(=O)NCC1C[NH+]([C@@H](C)C(N)=O)C1 ZINC001421139724 890488451 /nfs/dbraw/zinc/48/84/51/890488451.db2.gz SLYKKRJYUMWRKI-ZETCQYMHSA-N 1 2 271.321 -2.163 20 0 CAADLO CCNC(=O)C[NH+]1CC(CNC(=O)CNC(=O)NC)C1 ZINC001421141377 890488967 /nfs/dbraw/zinc/48/89/67/890488967.db2.gz YOBUXAJKXSAKCR-UHFFFAOYSA-N 1 2 285.348 -1.901 20 0 CAADLO O=C(C[C@H]1CCC(=O)N1)NCC1C[NH+]([C@H]2CCNC2=O)C1 ZINC001421176229 890490048 /nfs/dbraw/zinc/49/00/48/890490048.db2.gz XKAZAPUASNGUSN-MNOVXSKESA-N 1 2 294.355 -1.408 20 0 CAADLO CC(C)(C(=O)NCC1C[NH+](CCO)C1)S(C)(=O)=O ZINC001421168308 890490496 /nfs/dbraw/zinc/49/04/96/890490496.db2.gz GWVWCHZUOUAUHW-UHFFFAOYSA-N 1 2 278.374 -1.150 20 0 CAADLO O=C(C[C@@H]1CCC(=O)N1)NCC1C[NH+]([C@@H]2CCNC2=O)C1 ZINC001421176237 890490749 /nfs/dbraw/zinc/49/07/49/890490749.db2.gz XKAZAPUASNGUSN-WDEREUQCSA-N 1 2 294.355 -1.408 20 0 CAADLO CC[C@@H](C(N)=O)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CNC(C)=O ZINC001421184517 890490801 /nfs/dbraw/zinc/49/08/01/890490801.db2.gz BOLKKLAHTICHTR-DCAQKATOSA-N 1 2 282.344 -1.329 20 0 CAADLO CC[C@@H](C(N)=O)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CNC(C)=O ZINC001421184517 890490805 /nfs/dbraw/zinc/49/08/05/890490805.db2.gz BOLKKLAHTICHTR-DCAQKATOSA-N 1 2 282.344 -1.329 20 0 CAADLO Cc1nonc1CC(=O)N[C@]1(C)CC[N@H+](CC(N)=O)C1 ZINC001421215744 890490906 /nfs/dbraw/zinc/49/09/06/890490906.db2.gz UJAJDXULOXWXNG-GFCCVEGCSA-N 1 2 281.316 -1.014 20 0 CAADLO Cc1nonc1CC(=O)N[C@]1(C)CC[N@@H+](CC(N)=O)C1 ZINC001421215744 890490910 /nfs/dbraw/zinc/49/09/10/890490910.db2.gz UJAJDXULOXWXNG-GFCCVEGCSA-N 1 2 281.316 -1.014 20 0 CAADLO O=C(C[C@H]1CCC(=O)N1)NCC1C[NH+]([C@@H]2CCNC2=O)C1 ZINC001421176225 890491747 /nfs/dbraw/zinc/49/17/47/890491747.db2.gz XKAZAPUASNGUSN-GHMZBOCLSA-N 1 2 294.355 -1.408 20 0 CAADLO CCOCC(=O)NCC1C[NH+](CC(=O)N2CCOCC2)C1 ZINC001421178130 890492587 /nfs/dbraw/zinc/49/25/87/890492587.db2.gz SSEWLOMLLSNGKU-UHFFFAOYSA-N 1 2 299.371 -1.070 20 0 CAADLO NC(=O)NC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cc2cnoc2)C1 ZINC001421276936 890494554 /nfs/dbraw/zinc/49/45/54/890494554.db2.gz LBONIWGMXMGMIJ-SECBINFHSA-N 1 2 295.299 -1.398 20 0 CAADLO NC(=O)NC(=O)C[N@H+]1CC[C@@H](NC(=O)Cc2cnoc2)C1 ZINC001421276936 890494559 /nfs/dbraw/zinc/49/45/59/890494559.db2.gz LBONIWGMXMGMIJ-SECBINFHSA-N 1 2 295.299 -1.398 20 0 CAADLO CNC(=O)NC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ncc[nH]2)C1 ZINC001421268807 890494766 /nfs/dbraw/zinc/49/47/66/890494766.db2.gz URTGXNRTDWCAFM-MRVPVSSYSA-N 1 2 294.315 -1.331 20 0 CAADLO CNC(=O)NC(=O)C[N@H+]1CC[C@@H](NC(=O)c2ncc[nH]2)C1 ZINC001421268807 890494773 /nfs/dbraw/zinc/49/47/73/890494773.db2.gz URTGXNRTDWCAFM-MRVPVSSYSA-N 1 2 294.315 -1.331 20 0 CAADLO CO[C@@H](C)C(=O)N[C@@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001421261535 890495750 /nfs/dbraw/zinc/49/57/50/890495750.db2.gz NOZBYVIKVLCQLB-JGVFFNPUSA-N 1 2 272.305 -1.593 20 0 CAADLO CO[C@@H](C)C(=O)N[C@@H]1CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001421261535 890495744 /nfs/dbraw/zinc/49/57/44/890495744.db2.gz NOZBYVIKVLCQLB-JGVFFNPUSA-N 1 2 272.305 -1.593 20 0 CAADLO CC(C)(C)C(=O)NCC(=O)N[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001421290316 890495766 /nfs/dbraw/zinc/49/57/66/890495766.db2.gz VYSSGTMJKVTFAV-SECBINFHSA-N 1 2 284.360 -1.176 20 0 CAADLO CCN(C(=O)[C@@H](C)NC(C)=O)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001421361058 890498926 /nfs/dbraw/zinc/49/89/26/890498926.db2.gz WHUGRRWSTQIKNJ-KOLCDFICSA-N 1 2 284.360 -1.081 20 0 CAADLO CCN(C(=O)CNC(C)=O)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001421356923 890500836 /nfs/dbraw/zinc/50/08/36/890500836.db2.gz REWUADFCIJLNCA-SNVBAGLBSA-N 1 2 270.333 -1.469 20 0 CAADLO CCN(C(=O)CNC(C)=O)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001421356923 890500844 /nfs/dbraw/zinc/50/08/44/890500844.db2.gz REWUADFCIJLNCA-SNVBAGLBSA-N 1 2 270.333 -1.469 20 0 CAADLO CC[C@H](CNC(=O)[C@H]1CCC(=O)N1)[NH2+]Cc1nnn(C)n1 ZINC001421381578 890504686 /nfs/dbraw/zinc/50/46/86/890504686.db2.gz MUTNIUDNLCHANV-RKDXNWHRSA-N 1 2 295.347 -1.527 20 0 CAADLO CC[C@@H](CNC(=O)[C@H]1COC(=O)N1)[NH2+]Cc1nnn(C)n1 ZINC001421399609 890507257 /nfs/dbraw/zinc/50/72/57/890507257.db2.gz HJALHSJMEPGUQD-JGVFFNPUSA-N 1 2 297.319 -1.697 20 0 CAADLO CO[C@H](C)C[NH+]1CC(O)(CNC(=O)c2ccc(=O)[nH]n2)C1 ZINC001421409859 890507671 /nfs/dbraw/zinc/50/76/71/890507671.db2.gz RJRZOCKFRGVGEC-SECBINFHSA-N 1 2 296.327 -1.006 20 0 CAADLO CC[C@@H](CNC(=O)CNC(=O)OC)[NH2+]Cc1nnn(C)n1 ZINC001421398182 890507895 /nfs/dbraw/zinc/50/78/95/890507895.db2.gz WSCIVTOBHCGWQT-QMMMGPOBSA-N 1 2 299.335 -1.450 20 0 CAADLO CC[C@H](CNC(=O)[C@H]1COC(=O)N1)[NH2+]Cc1nnn(C)n1 ZINC001421399608 890508552 /nfs/dbraw/zinc/50/85/52/890508552.db2.gz HJALHSJMEPGUQD-HTQZYQBOSA-N 1 2 297.319 -1.697 20 0 CAADLO CO[C@@H](C)C[NH+]1CC(O)(CNC(=O)CN2CCCC2=O)C1 ZINC001421411656 890508693 /nfs/dbraw/zinc/50/86/93/890508693.db2.gz UAANLMCWJLUBCB-NSHDSACASA-N 1 2 299.371 -1.193 20 0 CAADLO COC[C@H](C)[NH+]1CC(O)(CNC(=O)c2nccnc2N)C1 ZINC001421423791 890511316 /nfs/dbraw/zinc/51/13/16/890511316.db2.gz JPAAPMBBIHXSIO-VIFPVBQESA-N 1 2 295.343 -1.130 20 0 CAADLO C[C@H](O)C[NH+]1CC(O)(CNC(=O)Cc2cnn(C)c2)C1 ZINC001421427098 890511577 /nfs/dbraw/zinc/51/15/77/890511577.db2.gz GVJMMPDBOOEZLI-JTQLQIEISA-N 1 2 282.344 -1.494 20 0 CAADLO C[C@H](O)C[NH+]1CC(O)(CNC(=O)[C@H]2COCCO2)C1 ZINC001421420071 890511790 /nfs/dbraw/zinc/51/17/90/890511790.db2.gz VMLIGLANHYIJDP-VHSXEESVSA-N 1 2 274.317 -2.055 20 0 CAADLO C[C@H](O)C[NH+]1CC(O)(CNC(=O)c2nccnc2N)C1 ZINC001421428387 890511892 /nfs/dbraw/zinc/51/18/92/890511892.db2.gz SSZYJXWXBHKVGR-QMMMGPOBSA-N 1 2 281.316 -1.784 20 0 CAADLO CNC(=O)CN1CC(O)(CNC(=O)CCn2cc[nH+]c2)C1 ZINC001421474255 890513504 /nfs/dbraw/zinc/51/35/04/890513504.db2.gz PHKGMWAIHQGBRI-UHFFFAOYSA-N 1 2 295.343 -1.818 20 0 CAADLO COC[C@@H](C)[NH+]1CC(O)(CNC(=O)[C@]2(C)CCC(=O)N2)C1 ZINC001421478408 890513625 /nfs/dbraw/zinc/51/36/25/890513625.db2.gz UCEULFDMKCTQTH-MFKMUULPSA-N 1 2 299.371 -1.147 20 0 CAADLO COc1cncc(C(=O)NCC2(O)C[NH+](C[C@H](C)O)C2)n1 ZINC001421486420 890513788 /nfs/dbraw/zinc/51/37/88/890513788.db2.gz ZTEMYMZVGPZGTH-VIFPVBQESA-N 1 2 296.327 -1.358 20 0 CAADLO COC[C@H](C)[NH+]1CC(O)(CNC(=O)c2cnon2)C1 ZINC001421487928 890513953 /nfs/dbraw/zinc/51/39/53/890513953.db2.gz PXRATKFDWGATTJ-QMMMGPOBSA-N 1 2 270.289 -1.119 20 0 CAADLO C[C@H](F)CC[NH+]1CC(O)(CNC(=O)c2nnn(C)n2)C1 ZINC001421464010 890514330 /nfs/dbraw/zinc/51/43/30/890514330.db2.gz JQVOPZSEDUXUCN-QMMMGPOBSA-N 1 2 286.311 -1.265 20 0 CAADLO NC(=O)[C@@H]1C[C@@H]1C(=O)NCC1(O)C[NH+](CCCF)C1 ZINC001421486859 890514640 /nfs/dbraw/zinc/51/46/40/890514640.db2.gz XJMKANABPQAVLZ-BDAKNGLRSA-N 1 2 273.308 -1.370 20 0 CAADLO CC[NH+]1CC(O)(CNC(=O)CCC(=O)N2CCOCC2)C1 ZINC001421500778 890516500 /nfs/dbraw/zinc/51/65/00/890516500.db2.gz GGIIGPXQOVTHOQ-UHFFFAOYSA-N 1 2 299.371 -1.192 20 0 CAADLO Cn1c[nH+]cc1CCC(=O)NCC1(O)CN(CC(N)=O)C1 ZINC001421494889 890516591 /nfs/dbraw/zinc/51/65/91/890516591.db2.gz MVJMQMWXSMBMNX-UHFFFAOYSA-N 1 2 295.343 -1.999 20 0 CAADLO C[C@H](O)CN1CC(O)(CNC(=O)CCc2c[nH+]cn2C)C1 ZINC001421497340 890516939 /nfs/dbraw/zinc/51/69/39/890516939.db2.gz ZXZZAIIBAQGCLL-NSHDSACASA-N 1 2 296.371 -1.104 20 0 CAADLO CC[NH+]1CC(O)(CNC(=O)[C@@H]2CCCN2C(N)=O)C1 ZINC001421520013 890517228 /nfs/dbraw/zinc/51/72/28/890517228.db2.gz QEEKQMVBQIHLMO-VIFPVBQESA-N 1 2 270.333 -1.288 20 0 CAADLO O=C(Cc1nc[nH]n1)NCC1(O)C[NH+](CCCF)C1 ZINC001421494000 890517540 /nfs/dbraw/zinc/51/75/40/890517540.db2.gz KALQNNPPJIHVBL-UHFFFAOYSA-N 1 2 271.296 -1.130 20 0 CAADLO O=C(Cn1cc[nH+]c1)NCC1(O)CN(Cc2cnon2)C1 ZINC001421515473 890518207 /nfs/dbraw/zinc/51/82/07/890518207.db2.gz FIWJJBRBGSFJCY-UHFFFAOYSA-N 1 2 292.299 -1.371 20 0 CAADLO C[C@H](O)C[NH+]1CC(O)(CNC(=O)c2cc(C(N)=O)c[nH]2)C1 ZINC001421493774 890518227 /nfs/dbraw/zinc/51/82/27/890518227.db2.gz GDNJVZVBGUGPTN-QMMMGPOBSA-N 1 2 296.327 -1.729 20 0 CAADLO Cn1cc(CCC(=O)NCC2(O)C[NH+](CCCO)C2)cn1 ZINC001421504339 890518488 /nfs/dbraw/zinc/51/84/88/890518488.db2.gz QKPUNXYWDNVFSD-UHFFFAOYSA-N 1 2 296.371 -1.102 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@@](CO)(NC(=O)[C@H]2CCC(=O)N2)C1 ZINC001421613631 890519496 /nfs/dbraw/zinc/51/94/96/890519496.db2.gz XMGTYGBFLDAUFA-NOZJJQNGSA-N 1 2 298.343 -2.307 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@@](CO)(NC(=O)[C@H]2CCC(=O)N2)C1 ZINC001421613631 890519511 /nfs/dbraw/zinc/51/95/11/890519511.db2.gz XMGTYGBFLDAUFA-NOZJJQNGSA-N 1 2 298.343 -2.307 20 0 CAADLO C[C@@H](O)C[N@@H+]1CCC[C@](CO)(NC(=O)c2nc[nH]n2)C1 ZINC001421611868 890519708 /nfs/dbraw/zinc/51/97/08/890519708.db2.gz ISHPIWFWDJMPJE-SKDRFNHKSA-N 1 2 283.332 -1.258 20 0 CAADLO C[C@@H](O)C[N@H+]1CCC[C@](CO)(NC(=O)c2nc[nH]n2)C1 ZINC001421611868 890519711 /nfs/dbraw/zinc/51/97/11/890519711.db2.gz ISHPIWFWDJMPJE-SKDRFNHKSA-N 1 2 283.332 -1.258 20 0 CAADLO COC1CC(C(=O)N[C@@]2(CO)CCC[N@H+](CC(N)=O)C2)C1 ZINC001421611587 890520151 /nfs/dbraw/zinc/52/01/51/890520151.db2.gz MCZDXNZWGJDBME-MGULZYLOSA-N 1 2 299.371 -1.160 20 0 CAADLO COC1CC(C(=O)N[C@@]2(CO)CCC[N@@H+](CC(N)=O)C2)C1 ZINC001421611587 890520154 /nfs/dbraw/zinc/52/01/54/890520154.db2.gz MCZDXNZWGJDBME-MGULZYLOSA-N 1 2 299.371 -1.160 20 0 CAADLO CNC(=O)C[N@@H+]1CCC[C@@](CO)(NC(=O)c2ncc[nH]2)C1 ZINC001421602759 890520302 /nfs/dbraw/zinc/52/03/02/890520302.db2.gz UFCBJEMCHQXLBS-CYBMUJFWSA-N 1 2 295.343 -1.288 20 0 CAADLO CNC(=O)C[N@H+]1CCC[C@@](CO)(NC(=O)c2ncc[nH]2)C1 ZINC001421602759 890520307 /nfs/dbraw/zinc/52/03/07/890520307.db2.gz UFCBJEMCHQXLBS-CYBMUJFWSA-N 1 2 295.343 -1.288 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@@](CO)(NC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001421617454 890520691 /nfs/dbraw/zinc/52/06/91/890520691.db2.gz MDCVZKUFVFITBY-IUCKATPISA-N 1 2 297.355 -1.693 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@@](CO)(NC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001421617454 890520700 /nfs/dbraw/zinc/52/07/00/890520700.db2.gz MDCVZKUFVFITBY-IUCKATPISA-N 1 2 297.355 -1.693 20 0 CAADLO COCCC(=O)N[C@@]1(CO)CCC[N@@H+]([C@@H](C)C(N)=O)C1 ZINC001421592929 890521125 /nfs/dbraw/zinc/52/11/25/890521125.db2.gz LNATXFFHZWYDIN-GWCFXTLKSA-N 1 2 287.360 -1.160 20 0 CAADLO COCCC(=O)N[C@@]1(CO)CCC[N@H+]([C@@H](C)C(N)=O)C1 ZINC001421592929 890521135 /nfs/dbraw/zinc/52/11/35/890521135.db2.gz LNATXFFHZWYDIN-GWCFXTLKSA-N 1 2 287.360 -1.160 20 0 CAADLO CNC(=O)C[N@@H+]1CCC[C@](CO)(NC(=O)c2ncc[nH]2)C1 ZINC001421602760 890522082 /nfs/dbraw/zinc/52/20/82/890522082.db2.gz UFCBJEMCHQXLBS-ZDUSSCGKSA-N 1 2 295.343 -1.288 20 0 CAADLO CNC(=O)C[N@H+]1CCC[C@](CO)(NC(=O)c2ncc[nH]2)C1 ZINC001421602760 890522093 /nfs/dbraw/zinc/52/20/93/890522093.db2.gz UFCBJEMCHQXLBS-ZDUSSCGKSA-N 1 2 295.343 -1.288 20 0 CAADLO CC(C)OCC(=O)N[C@]1(CO)CCC[N@@H+](CC(N)=O)C1 ZINC001421593287 890522384 /nfs/dbraw/zinc/52/23/84/890522384.db2.gz BFELXRYFMRJMTB-CYBMUJFWSA-N 1 2 287.360 -1.160 20 0 CAADLO CC(C)OCC(=O)N[C@]1(CO)CCC[N@H+](CC(N)=O)C1 ZINC001421593287 890522375 /nfs/dbraw/zinc/52/23/75/890522375.db2.gz BFELXRYFMRJMTB-CYBMUJFWSA-N 1 2 287.360 -1.160 20 0 CAADLO COCCC(=O)N[C@@]1(CO)CCC[N@@H+]([C@H](C)C(N)=O)C1 ZINC001421592932 890522709 /nfs/dbraw/zinc/52/27/09/890522709.db2.gz LNATXFFHZWYDIN-MFKMUULPSA-N 1 2 287.360 -1.160 20 0 CAADLO COCCC(=O)N[C@@]1(CO)CCC[N@H+]([C@H](C)C(N)=O)C1 ZINC001421592932 890522717 /nfs/dbraw/zinc/52/27/17/890522717.db2.gz LNATXFFHZWYDIN-MFKMUULPSA-N 1 2 287.360 -1.160 20 0 CAADLO CC[N@@H+]1CCOC[C@H]1CNC(=O)CN1CCC(=O)NC1=O ZINC001421702468 890527443 /nfs/dbraw/zinc/52/74/43/890527443.db2.gz NLZRQSOTAGWMED-SNVBAGLBSA-N 1 2 298.343 -1.235 20 0 CAADLO CC[N@H+]1CCOC[C@H]1CNC(=O)CN1CCC(=O)NC1=O ZINC001421702468 890527448 /nfs/dbraw/zinc/52/74/48/890527448.db2.gz NLZRQSOTAGWMED-SNVBAGLBSA-N 1 2 298.343 -1.235 20 0 CAADLO O=C(CNC(=O)C1CC1)NC[C@H]1COCC[N@H+]1CCCO ZINC001421697886 890527558 /nfs/dbraw/zinc/52/75/58/890527558.db2.gz XIDUVVXRGOUWMK-LBPRGKRZSA-N 1 2 299.371 -1.288 20 0 CAADLO O=C(CNC(=O)C1CC1)NC[C@H]1COCC[N@@H+]1CCCO ZINC001421697886 890527563 /nfs/dbraw/zinc/52/75/63/890527563.db2.gz XIDUVVXRGOUWMK-LBPRGKRZSA-N 1 2 299.371 -1.288 20 0 CAADLO COCC(=O)NC[C@H]1C[N@H+](C[C@@H](O)COC)CCO1 ZINC001421788263 890530707 /nfs/dbraw/zinc/53/07/07/890530707.db2.gz OFGWWIVLGUOZNQ-MNOVXSKESA-N 1 2 276.333 -1.543 20 0 CAADLO COCC(=O)NC[C@H]1C[N@@H+](C[C@@H](O)COC)CCO1 ZINC001421788263 890530724 /nfs/dbraw/zinc/53/07/24/890530724.db2.gz OFGWWIVLGUOZNQ-MNOVXSKESA-N 1 2 276.333 -1.543 20 0 CAADLO COCC[N@@H+]1CCO[C@@H](CNC(=O)[C@H](C)NC(C)=O)C1 ZINC001421775825 890532202 /nfs/dbraw/zinc/53/22/02/890532202.db2.gz GSXCZJNILPSMBR-JQWIXIFHSA-N 1 2 287.360 -1.026 20 0 CAADLO COCC[N@H+]1CCO[C@@H](CNC(=O)[C@H](C)NC(C)=O)C1 ZINC001421775825 890532208 /nfs/dbraw/zinc/53/22/08/890532208.db2.gz GSXCZJNILPSMBR-JQWIXIFHSA-N 1 2 287.360 -1.026 20 0 CAADLO C[C@H](CC(N)=O)C(=O)NC[C@H]1C[N@H+](CCO)CCO1 ZINC001421791876 890534414 /nfs/dbraw/zinc/53/44/14/890534414.db2.gz KNDRKWAMVMSXRB-ZJUUUORDSA-N 1 2 273.333 -1.693 20 0 CAADLO C[C@H](CC(N)=O)C(=O)NC[C@H]1C[N@@H+](CCO)CCO1 ZINC001421791876 890534420 /nfs/dbraw/zinc/53/44/20/890534420.db2.gz KNDRKWAMVMSXRB-ZJUUUORDSA-N 1 2 273.333 -1.693 20 0 CAADLO CCS(=O)(=O)NCC[N@@H+]1CC[C@H]2OCC(=O)N[C@@H]2C1 ZINC001421851326 890536085 /nfs/dbraw/zinc/53/60/85/890536085.db2.gz PGVPMOMXLBXDTQ-NXEZZACHSA-N 1 2 291.373 -1.485 20 0 CAADLO CCS(=O)(=O)NCC[N@H+]1CC[C@H]2OCC(=O)N[C@@H]2C1 ZINC001421851326 890536099 /nfs/dbraw/zinc/53/60/99/890536099.db2.gz PGVPMOMXLBXDTQ-NXEZZACHSA-N 1 2 291.373 -1.485 20 0 CAADLO CCO[C@@H]1COC[C@H]1[NH2+]Cc1cc(=O)n2nc(N)[nH]c2n1 ZINC001421809680 890536581 /nfs/dbraw/zinc/53/65/81/890536581.db2.gz MUKDWTZLRWNMHI-RKDXNWHRSA-N 1 2 294.315 -1.107 20 0 CAADLO C[C@H](CC(N)=O)C(=O)NC[C@@H]1CCC2(C[NH+](CCO)C2)O1 ZINC001421922681 890542291 /nfs/dbraw/zinc/54/22/91/890542291.db2.gz XVEBQUPQTHMLOF-MNOVXSKESA-N 1 2 299.371 -1.160 20 0 CAADLO C[C@H](CC(N)=O)C(=O)N[C@H]1COC2(C[NH+](CCO)C2)C1 ZINC001421929926 890542536 /nfs/dbraw/zinc/54/25/36/890542536.db2.gz BPFYEXLVFJHCNE-NXEZZACHSA-N 1 2 285.344 -1.550 20 0 CAADLO C[C@H](CC(N)=O)C(=O)NC[C@H]1CCC2(C[NH+](CCO)C2)O1 ZINC001421922680 890543382 /nfs/dbraw/zinc/54/33/82/890543382.db2.gz XVEBQUPQTHMLOF-GHMZBOCLSA-N 1 2 299.371 -1.160 20 0 CAADLO CNC(=O)[C@H]1CC[N@H+](Cc2cc(=O)n3[nH]c(N)nc3n2)C1 ZINC001421946383 890543783 /nfs/dbraw/zinc/54/37/83/890543783.db2.gz FQBFDOTYAWEJFH-ZETCQYMHSA-N 1 2 291.315 -1.432 20 0 CAADLO CNC(=O)[C@H]1CC[N@@H+](Cc2cc(=O)n3[nH]c(N)nc3n2)C1 ZINC001421946383 890543789 /nfs/dbraw/zinc/54/37/89/890543789.db2.gz FQBFDOTYAWEJFH-ZETCQYMHSA-N 1 2 291.315 -1.432 20 0 CAADLO C[C@@H](CC(N)=O)C(=O)N[C@@H]1COC2(C[NH+](CCO)C2)C1 ZINC001421929936 890544114 /nfs/dbraw/zinc/54/41/14/890544114.db2.gz BPFYEXLVFJHCNE-UWVGGRQHSA-N 1 2 285.344 -1.550 20 0 CAADLO NC(=O)[C@@H]1C[NH+](Cc2nnc3n2CCOC3)C[C@H]1C(N)=O ZINC001422044361 890547091 /nfs/dbraw/zinc/54/70/91/890547091.db2.gz DCOMHLVGJLKCMY-HTQZYQBOSA-N 1 2 294.315 -2.173 20 0 CAADLO CCNC(=O)C[NH2+][C@H]1CN(C(=O)Cc2ncn[nH]2)C[C@@H]1C ZINC001422040590 890547260 /nfs/dbraw/zinc/54/72/60/890547260.db2.gz ASCFLALQTHIUIH-UWVGGRQHSA-N 1 2 294.359 -1.080 20 0 CAADLO CCC(=O)NCC(=O)N(C)CC[N@H+](C)CC(=O)NC ZINC001422151784 890549986 /nfs/dbraw/zinc/54/99/86/890549986.db2.gz JXOXYFZZYHPUFV-UHFFFAOYSA-N 1 2 272.349 -1.351 20 0 CAADLO CCC(=O)NCC(=O)N(C)CC[N@@H+](C)CC(=O)NC ZINC001422151784 890549997 /nfs/dbraw/zinc/54/99/97/890549997.db2.gz JXOXYFZZYHPUFV-UHFFFAOYSA-N 1 2 272.349 -1.351 20 0 CAADLO CC(C)[C@@H](CNC(=O)c1cn[nH]n1)[NH2+]Cc1nnnn1C ZINC001422098693 890550892 /nfs/dbraw/zinc/55/08/92/890550892.db2.gz JTMZLWOJSNOEAW-MRVPVSSYSA-N 1 2 293.335 -1.128 20 0 CAADLO CC(C)[C@@H](CNC(=O)c1cnn[nH]1)[NH2+]Cc1nnnn1C ZINC001422098693 890550903 /nfs/dbraw/zinc/55/09/03/890550903.db2.gz JTMZLWOJSNOEAW-MRVPVSSYSA-N 1 2 293.335 -1.128 20 0 CAADLO NC(=O)[C@@H]1C[NH+](Cc2ncnn2CCF)C[C@H]1C(N)=O ZINC001422054419 890551518 /nfs/dbraw/zinc/55/15/18/890551518.db2.gz SVFDXLCMYJEADS-HTQZYQBOSA-N 1 2 284.295 -1.734 20 0 CAADLO NC(=O)[C@H]1C[N@H+](Cc2ncnn2CCF)C[C@H]1C(N)=O ZINC001422054423 890551607 /nfs/dbraw/zinc/55/16/07/890551607.db2.gz SVFDXLCMYJEADS-OCAPTIKFSA-N 1 2 284.295 -1.734 20 0 CAADLO NC(=O)[C@H]1C[N@@H+](Cc2ncnn2CCF)C[C@H]1C(N)=O ZINC001422054423 890551608 /nfs/dbraw/zinc/55/16/08/890551608.db2.gz SVFDXLCMYJEADS-OCAPTIKFSA-N 1 2 284.295 -1.734 20 0 CAADLO CN(CC[N@H+](C)CC(N)=O)C(=O)[C@]1(C)CCNC(=O)C1 ZINC001422175919 890553917 /nfs/dbraw/zinc/55/39/17/890553917.db2.gz QBKOJFSLRNPUHS-CYBMUJFWSA-N 1 2 284.360 -1.222 20 0 CAADLO CN(CC[N@@H+](C)CC(N)=O)C(=O)[C@]1(C)CCNC(=O)C1 ZINC001422175919 890553921 /nfs/dbraw/zinc/55/39/21/890553921.db2.gz QBKOJFSLRNPUHS-CYBMUJFWSA-N 1 2 284.360 -1.222 20 0 CAADLO CN(CC[N@H+](C)CC(N)=O)C(=O)C[C@H]1CCN(C)C1=O ZINC001422171290 890554099 /nfs/dbraw/zinc/55/40/99/890554099.db2.gz XTMYKWIAMIHFIR-SNVBAGLBSA-N 1 2 284.360 -1.270 20 0 CAADLO CN(CC[N@@H+](C)CC(N)=O)C(=O)C[C@H]1CCN(C)C1=O ZINC001422171290 890554109 /nfs/dbraw/zinc/55/41/09/890554109.db2.gz XTMYKWIAMIHFIR-SNVBAGLBSA-N 1 2 284.360 -1.270 20 0 CAADLO NC(=O)C1([NH2+]CC2=NOCC2)CCS(=O)(=O)CC1 ZINC001422161537 890554557 /nfs/dbraw/zinc/55/45/57/890554557.db2.gz LAKKYFSOAVEXKY-UHFFFAOYSA-N 1 2 275.330 -1.215 20 0 CAADLO CN(CC[N@H+](C)Cc1ccnn1C)C(=O)[C@@H]1CNC(=O)N1 ZINC001422192090 890554603 /nfs/dbraw/zinc/55/46/03/890554603.db2.gz IURGFFKKHXBEHY-NSHDSACASA-N 1 2 294.359 -1.008 20 0 CAADLO CN(CC[N@@H+](C)Cc1ccnn1C)C(=O)[C@@H]1CNC(=O)N1 ZINC001422192090 890554616 /nfs/dbraw/zinc/55/46/16/890554616.db2.gz IURGFFKKHXBEHY-NSHDSACASA-N 1 2 294.359 -1.008 20 0 CAADLO CCCNC(=O)C[N@H+](C)CCN(C)C(=O)Cn1cnnn1 ZINC001422175665 890555642 /nfs/dbraw/zinc/55/56/42/890555642.db2.gz KPCHOELXVXJRHI-UHFFFAOYSA-N 1 2 297.363 -1.411 20 0 CAADLO CCCNC(=O)C[N@@H+](C)CCN(C)C(=O)Cn1cnnn1 ZINC001422175665 890555649 /nfs/dbraw/zinc/55/56/49/890555649.db2.gz KPCHOELXVXJRHI-UHFFFAOYSA-N 1 2 297.363 -1.411 20 0 CAADLO CC(C)OCC(=O)NC1(CO)CC[NH+](CC(N)=O)CC1 ZINC001422196927 890555793 /nfs/dbraw/zinc/55/57/93/890555793.db2.gz PDGQUISHFCTKDZ-UHFFFAOYSA-N 1 2 287.360 -1.160 20 0 CAADLO CN(CC[N@H+](C)CC(N)=O)C(=O)CCc1cn(C)nn1 ZINC001422243675 890557749 /nfs/dbraw/zinc/55/77/49/890557749.db2.gz OCBCPQGFUYQBBU-UHFFFAOYSA-N 1 2 282.348 -1.377 20 0 CAADLO CN(CC[N@@H+](C)CC(N)=O)C(=O)CCc1cn(C)nn1 ZINC001422243675 890557757 /nfs/dbraw/zinc/55/77/57/890557757.db2.gz OCBCPQGFUYQBBU-UHFFFAOYSA-N 1 2 282.348 -1.377 20 0 CAADLO C[C@H]1CO[C@@H](C(=O)NC2(CO)CC[NH+](CC(N)=O)CC2)C1 ZINC001422207915 890558381 /nfs/dbraw/zinc/55/83/81/890558381.db2.gz SUEFUSOEKYXVDT-GHMZBOCLSA-N 1 2 299.371 -1.160 20 0 CAADLO CNC(=O)C[N@H+](C)CCN(C)C(=O)c1cn(C)c(=O)n1C ZINC001422249605 890558985 /nfs/dbraw/zinc/55/89/85/890558985.db2.gz STPZLRDCAXRKQG-UHFFFAOYSA-N 1 2 297.359 -1.526 20 0 CAADLO CNC(=O)C[N@@H+](C)CCN(C)C(=O)c1cn(C)c(=O)n1C ZINC001422249605 890558992 /nfs/dbraw/zinc/55/89/92/890558992.db2.gz STPZLRDCAXRKQG-UHFFFAOYSA-N 1 2 297.359 -1.526 20 0 CAADLO CNC(=O)C[N@H+](C)CCN(C)C(=O)CCc1cn(C)nn1 ZINC001422246653 890559314 /nfs/dbraw/zinc/55/93/14/890559314.db2.gz XDSPCGGPOPUCLH-UHFFFAOYSA-N 1 2 296.375 -1.116 20 0 CAADLO CNC(=O)C[N@@H+](C)CCN(C)C(=O)CCc1cn(C)nn1 ZINC001422246653 890559324 /nfs/dbraw/zinc/55/93/24/890559324.db2.gz XDSPCGGPOPUCLH-UHFFFAOYSA-N 1 2 296.375 -1.116 20 0 CAADLO CN(CC[N@H+](C)CC(N)=O)C(=O)[C@@H]1CCCN1C(N)=O ZINC001422251707 890559594 /nfs/dbraw/zinc/55/95/94/890559594.db2.gz ZVDPVPLFUBCZIU-VIFPVBQESA-N 1 2 285.348 -1.595 20 0 CAADLO CN(CC[N@@H+](C)CC(N)=O)C(=O)[C@@H]1CCCN1C(N)=O ZINC001422251707 890559606 /nfs/dbraw/zinc/55/96/06/890559606.db2.gz ZVDPVPLFUBCZIU-VIFPVBQESA-N 1 2 285.348 -1.595 20 0 CAADLO Cc1nnc(C[NH2+]C[C@H](O)CNC(=O)c2cnn(C)c2)o1 ZINC001422265930 890561473 /nfs/dbraw/zinc/56/14/73/890561473.db2.gz NTCSXAQZGPMYMZ-JTQLQIEISA-N 1 2 294.315 -1.008 20 0 CAADLO Cc1noc(C[NH2+]C[C@@H](O)CNC(=O)c2cn(C)cn2)n1 ZINC001422277347 890564893 /nfs/dbraw/zinc/56/48/93/890564893.db2.gz AASDCINCBNWZOT-SECBINFHSA-N 1 2 294.315 -1.008 20 0 CAADLO CCOCC(=O)NC[C@H](O)C[NH2+]Cc1nc(C)no1 ZINC001422284720 890566246 /nfs/dbraw/zinc/56/62/46/890566246.db2.gz VGDSXIPZAUTZCM-SECBINFHSA-N 1 2 272.305 -1.019 20 0 CAADLO Cc1noc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2CCOC2)n1 ZINC001422286955 890570091 /nfs/dbraw/zinc/57/00/91/890570091.db2.gz LWNBLACHSXXTMN-NXEZZACHSA-N 1 2 284.316 -1.019 20 0 CAADLO Cn1ncnc1C[NH2+]C[C@H](O)CNC(=O)c1nnc[nH]1 ZINC001422374799 890582633 /nfs/dbraw/zinc/58/26/33/890582633.db2.gz QMHWSOKTUVPACN-ZETCQYMHSA-N 1 2 280.292 -2.186 20 0 CAADLO C[C@H](NC(=O)c1nnc[nH]1)[C@H](C)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001422384676 890586519 /nfs/dbraw/zinc/58/65/19/890586519.db2.gz VGDIIGGYJHBMMD-BQBZGAKWSA-N 1 2 294.319 -1.477 20 0 CAADLO C[C@H](NC(=O)c1ncn[nH]1)[C@H](C)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001422384676 890586527 /nfs/dbraw/zinc/58/65/27/890586527.db2.gz VGDIIGGYJHBMMD-BQBZGAKWSA-N 1 2 294.319 -1.477 20 0 CAADLO O=C(NC[C@H](O)C[NH2+]Cc1cnsn1)[C@@H]1CCC(=O)N1 ZINC001422397984 890587507 /nfs/dbraw/zinc/58/75/07/890587507.db2.gz FTWGFULRMZBPHP-BDAKNGLRSA-N 1 2 299.356 -1.617 20 0 CAADLO C[C@H](NC(=O)c1cnn(C)n1)[C@H](C)[NH2+]Cc1nnn(C)n1 ZINC001422390369 890588606 /nfs/dbraw/zinc/58/86/06/890588606.db2.gz JJEGTIJXVXRVLI-YUMQZZPRSA-N 1 2 293.335 -1.365 20 0 CAADLO C[C@@H]([NH2+]Cc1nnn(C)n1)[C@H](C)NC(=O)c1cnn(C)n1 ZINC001422390367 890588715 /nfs/dbraw/zinc/58/87/15/890588715.db2.gz JJEGTIJXVXRVLI-SFYZADRCSA-N 1 2 293.335 -1.365 20 0 CAADLO O=C(NC[C@@H](O)C[NH2+]Cc1cnsn1)[C@@H]1CCC(=O)N1 ZINC001422397985 890588727 /nfs/dbraw/zinc/58/87/27/890588727.db2.gz FTWGFULRMZBPHP-IUCAKERBSA-N 1 2 299.356 -1.617 20 0 CAADLO C[C@@H](NC(=O)c1cnn(C)n1)[C@@H](C)[NH2+]Cc1nnn(C)n1 ZINC001422390365 890588946 /nfs/dbraw/zinc/58/89/46/890588946.db2.gz JJEGTIJXVXRVLI-HTQZYQBOSA-N 1 2 293.335 -1.365 20 0 CAADLO Cn1ccc(C[NH2+]C[C@@H](O)CNC(=O)Cc2nnc[nH]2)n1 ZINC001422399232 890589086 /nfs/dbraw/zinc/58/90/86/890589086.db2.gz MSKQWRLCTZHJSS-SNVBAGLBSA-N 1 2 293.331 -1.652 20 0 CAADLO O=C(Cn1cncn1)NC[C@H](O)C[NH2+]Cc1csnn1 ZINC001422415079 890590266 /nfs/dbraw/zinc/59/02/66/890590266.db2.gz VPDKJCQSKVXUID-SECBINFHSA-N 1 2 297.344 -1.604 20 0 CAADLO COCC(=O)NC1(CCO)C[NH+](C[C@H](O)COC)C1 ZINC001422595442 890599172 /nfs/dbraw/zinc/59/91/72/890599172.db2.gz GLZGUGOSYOHZIS-JTQLQIEISA-N 1 2 276.333 -1.807 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+](C)[C@H](C)CNC(=O)Cc1nnc[nH]1 ZINC001422576968 890600663 /nfs/dbraw/zinc/60/06/63/890600663.db2.gz IBAGXNMEIYXRLG-RKDXNWHRSA-N 1 2 282.348 -1.082 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+](C)[C@H](C)CNC(=O)Cc1nnc[nH]1 ZINC001422576968 890600669 /nfs/dbraw/zinc/60/06/69/890600669.db2.gz IBAGXNMEIYXRLG-RKDXNWHRSA-N 1 2 282.348 -1.082 20 0 CAADLO CNC(=O)NC(=O)C[N@H+](C)[C@@H](C)CNC(=O)c1nnc[nH]1 ZINC001422562722 890600762 /nfs/dbraw/zinc/60/07/62/890600762.db2.gz FJVGVMKUQICCEV-ZETCQYMHSA-N 1 2 297.319 -1.690 20 0 CAADLO CNC(=O)NC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)c1nnc[nH]1 ZINC001422562722 890600763 /nfs/dbraw/zinc/60/07/63/890600763.db2.gz FJVGVMKUQICCEV-ZETCQYMHSA-N 1 2 297.319 -1.690 20 0 CAADLO CC(=O)NC1(CCO)C[NH+](C[C@H](O)CN2CCCC2=O)C1 ZINC001422596584 890600953 /nfs/dbraw/zinc/60/09/53/890600953.db2.gz HXKOZPWTTZPMRK-LBPRGKRZSA-N 1 2 299.371 -1.457 20 0 CAADLO CC(=O)NCC(=O)NC1(CCO)C[NH+](CCCO)C1 ZINC001422595630 890601132 /nfs/dbraw/zinc/60/11/32/890601132.db2.gz BDLQLNSQVSKMSY-UHFFFAOYSA-N 1 2 273.333 -1.942 20 0 CAADLO C[C@@H](C[NH2+]Cc1cnsn1)NC(=O)Cn1cnnn1 ZINC001422625551 890602957 /nfs/dbraw/zinc/60/29/57/890602957.db2.gz STZQCTLYJQMVPE-ZETCQYMHSA-N 1 2 282.333 -1.181 20 0 CAADLO COC(=O)NCC(=O)NC1(CCO)C[NH+](C[C@@H](C)O)C1 ZINC001422600161 890603701 /nfs/dbraw/zinc/60/37/01/890603701.db2.gz GJDYTAOOEULAJS-SECBINFHSA-N 1 2 289.332 -1.724 20 0 CAADLO COC(=O)NCC(=O)NC1(CCO)C[NH+](C[C@H](C)O)C1 ZINC001422600167 890603851 /nfs/dbraw/zinc/60/38/51/890603851.db2.gz GJDYTAOOEULAJS-VIFPVBQESA-N 1 2 289.332 -1.724 20 0 CAADLO C[C@H](O)C[NH+]1CC(CCO)(NC(=O)c2cn(C)cn2)C1 ZINC001422627098 890604157 /nfs/dbraw/zinc/60/41/57/890604157.db2.gz YXWDLYXMDMVUAR-JTQLQIEISA-N 1 2 282.344 -1.033 20 0 CAADLO O=C(NC1(CCO)C[NH+](CCO)C1)[C@@H]1COC(=O)N1 ZINC001422623789 890604206 /nfs/dbraw/zinc/60/42/06/890604206.db2.gz XTOFYTOYKBNSEU-QMMMGPOBSA-N 1 2 273.289 -2.360 20 0 CAADLO COC[C@H](O)C[NH+]1CC(CCO)(NC(=O)c2cn[nH]c2)C1 ZINC001422610680 890604230 /nfs/dbraw/zinc/60/42/30/890604230.db2.gz DJLIRATYLYWQKP-LLVKDONJSA-N 1 2 298.343 -1.416 20 0 CAADLO C[C@H](O)C[NH+]1CC(CCO)(NC(=O)c2ncn(C)n2)C1 ZINC001422622420 890604650 /nfs/dbraw/zinc/60/46/50/890604650.db2.gz PTQXVDYQTAFOAC-VIFPVBQESA-N 1 2 283.332 -1.638 20 0 CAADLO COCC[NH+]1CC(CCO)(NC(=O)[C@@H]2CCNC(=O)C2)C1 ZINC001422621266 890604778 /nfs/dbraw/zinc/60/47/78/890604778.db2.gz BGTQTPDVDPQCEF-LLVKDONJSA-N 1 2 299.371 -1.288 20 0 CAADLO O=C(Cc1ncc[nH]1)NC1(CCO)C[NH+](CCCO)C1 ZINC001422648647 890605712 /nfs/dbraw/zinc/60/57/12/890605712.db2.gz BJTUXHJFLZAFHD-UHFFFAOYSA-N 1 2 282.344 -1.112 20 0 CAADLO CCC(=O)N[C@@H](C)C(=O)NC1(CCO)C[NH+](CCO)C1 ZINC001422636112 890606534 /nfs/dbraw/zinc/60/65/34/890606534.db2.gz SWKBDSICKRSJCG-JTQLQIEISA-N 1 2 287.360 -1.554 20 0 CAADLO CC[NH+]1CC(CCO)(NC(=O)CN(C)S(C)(=O)=O)C1 ZINC001422634789 890607806 /nfs/dbraw/zinc/60/78/06/890607806.db2.gz ONSTWPDBMOVJGL-UHFFFAOYSA-N 1 2 293.389 -1.549 20 0 CAADLO CC(=O)N[C@H](C)C(=O)N[C@@H](C)C1C[NH+](CC(N)=O)C1 ZINC001422704001 890609151 /nfs/dbraw/zinc/60/91/51/890609151.db2.gz IDYQSZBFKSDNAS-JGVFFNPUSA-N 1 2 270.333 -1.567 20 0 CAADLO CNC(=O)C[NH+]1CC([C@H](C)NC(=O)Cn2cnnn2)C1 ZINC001422704129 890609815 /nfs/dbraw/zinc/60/98/15/890609815.db2.gz IEZLJKBKGFNYRV-QMMMGPOBSA-N 1 2 281.320 -2.144 20 0 CAADLO CNC(=O)C[NH+]1CC([C@@H](C)NC(=O)Cn2cnnn2)C1 ZINC001422704036 890609921 /nfs/dbraw/zinc/60/99/21/890609921.db2.gz IEZLJKBKGFNYRV-MRVPVSSYSA-N 1 2 281.320 -2.144 20 0 CAADLO CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C1C[NH+](CC(N)=O)C1 ZINC001422704014 890610467 /nfs/dbraw/zinc/61/04/67/890610467.db2.gz IDYQSZBFKSDNAS-YUMQZZPRSA-N 1 2 270.333 -1.567 20 0 CAADLO CNC(=O)NCC(=O)N[C@@H](C)C1C[NH+](CC(N)=O)C1 ZINC001422727623 890610913 /nfs/dbraw/zinc/61/09/13/890610913.db2.gz GUICSMBGYGBSPS-ZETCQYMHSA-N 1 2 271.321 -2.163 20 0 CAADLO C[C@H](NC(=O)CNC(=O)C1CC1)C1C[NH+](CC(N)=O)C1 ZINC001422720374 890610928 /nfs/dbraw/zinc/61/09/28/890610928.db2.gz NFUDHQZITBRZED-QMMMGPOBSA-N 1 2 282.344 -1.566 20 0 CAADLO CC(=O)NC(C)(C)C(=O)N[C@@H](C)C1C[NH+](CC(N)=O)C1 ZINC001422741243 890612566 /nfs/dbraw/zinc/61/25/66/890612566.db2.gz CXYOGCWKVSHJIT-QMMMGPOBSA-N 1 2 284.360 -1.177 20 0 CAADLO CCC[C@@H](NC(N)=O)C(=O)N[C@@H](C)C1C[NH+](CC(N)=O)C1 ZINC001422752830 890612622 /nfs/dbraw/zinc/61/26/22/890612622.db2.gz GILLLYPFQGDBTR-WCBMZHEXSA-N 1 2 299.375 -1.255 20 0 CAADLO CC(=O)NC(C)(C)C(=O)N[C@H](C)C1C[NH+](CC(N)=O)C1 ZINC001422741238 890612836 /nfs/dbraw/zinc/61/28/36/890612836.db2.gz CXYOGCWKVSHJIT-MRVPVSSYSA-N 1 2 284.360 -1.177 20 0 CAADLO CNC(=O)C[N@H+](C)C[C@@H](C)NC(=O)CCc1nnc[nH]1 ZINC001422790949 890614728 /nfs/dbraw/zinc/61/47/28/890614728.db2.gz FYOKPPKKBJGCTC-SECBINFHSA-N 1 2 282.348 -1.080 20 0 CAADLO CNC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)CCc1nnc[nH]1 ZINC001422790949 890614733 /nfs/dbraw/zinc/61/47/33/890614733.db2.gz FYOKPPKKBJGCTC-SECBINFHSA-N 1 2 282.348 -1.080 20 0 CAADLO CC(=O)N(C)CC(=O)NC[C@@H]1CC[N@@H+]1[C@H]1CCN(C)C1=O ZINC001423052887 890623095 /nfs/dbraw/zinc/62/30/95/890623095.db2.gz ARSRPYBYZSFDLU-RYUDHWBXSA-N 1 2 296.371 -1.114 20 0 CAADLO CC(=O)N(C)CC(=O)NC[C@@H]1CC[N@H+]1[C@H]1CCN(C)C1=O ZINC001423052887 890623100 /nfs/dbraw/zinc/62/31/00/890623100.db2.gz ARSRPYBYZSFDLU-RYUDHWBXSA-N 1 2 296.371 -1.114 20 0 CAADLO CC(=O)N(C)CC(=O)NC[C@@H]1CC[N@H+]1[C@H](C)C(N)=O ZINC001423061964 890623181 /nfs/dbraw/zinc/62/31/81/890623181.db2.gz QBVAQHGNRMWBNK-SCZZXKLOSA-N 1 2 270.333 -1.471 20 0 CAADLO CC(=O)N(C)CC(=O)NC[C@@H]1CC[N@@H+]1[C@H](C)C(N)=O ZINC001423061964 890623186 /nfs/dbraw/zinc/62/31/86/890623186.db2.gz QBVAQHGNRMWBNK-SCZZXKLOSA-N 1 2 270.333 -1.471 20 0 CAADLO CC(=O)NCC(=O)NC[C@H]1CC[N@H+]1[C@H](C)C(=O)NC1CC1 ZINC001423052007 890624187 /nfs/dbraw/zinc/62/41/87/890624187.db2.gz UDSNTTQWCALMAV-BXKDBHETSA-N 1 2 296.371 -1.020 20 0 CAADLO CC(=O)NCC(=O)NC[C@H]1CC[N@@H+]1[C@H](C)C(=O)NC1CC1 ZINC001423052007 890624191 /nfs/dbraw/zinc/62/41/91/890624191.db2.gz UDSNTTQWCALMAV-BXKDBHETSA-N 1 2 296.371 -1.020 20 0 CAADLO CN1CC[C@H]([N@@H+]2CC[C@@H]2CNC(=O)Cn2ncnn2)C1=O ZINC001423105893 890625466 /nfs/dbraw/zinc/62/54/66/890625466.db2.gz ZMHSLUJIJWZNJY-ZJUUUORDSA-N 1 2 293.331 -1.906 20 0 CAADLO CN1CC[C@H]([N@H+]2CC[C@@H]2CNC(=O)Cn2ncnn2)C1=O ZINC001423105893 890625476 /nfs/dbraw/zinc/62/54/76/890625476.db2.gz ZMHSLUJIJWZNJY-ZJUUUORDSA-N 1 2 293.331 -1.906 20 0 CAADLO Cc1noc(C[NH2+][C@H](C)CN(C)C(=O)[C@H]2CNC(=O)N2)n1 ZINC001423103308 890625745 /nfs/dbraw/zinc/62/57/45/890625745.db2.gz DPHCJWZKLIEQHS-VXNVDRBHSA-N 1 2 296.331 -1.004 20 0 CAADLO CNC(=O)NCCC(=O)NC[C@H]1CC[N@@H+]1[C@H](C)C(=O)NC ZINC001423084574 890626189 /nfs/dbraw/zinc/62/61/89/890626189.db2.gz OYQNYYCNVWUKEA-NXEZZACHSA-N 1 2 299.375 -1.370 20 0 CAADLO CNC(=O)NCCC(=O)NC[C@H]1CC[N@H+]1[C@H](C)C(=O)NC ZINC001423084574 890626195 /nfs/dbraw/zinc/62/61/95/890626195.db2.gz OYQNYYCNVWUKEA-NXEZZACHSA-N 1 2 299.375 -1.370 20 0 CAADLO C[C@@H](C(=O)N(C)C)[N@@H+]1CC[C@H]1CNC(=O)Cn1cnnn1 ZINC001423077805 890626577 /nfs/dbraw/zinc/62/65/77/890626577.db2.gz KDWJEAHMDYIXFC-UWVGGRQHSA-N 1 2 295.347 -1.660 20 0 CAADLO C[C@@H](C(=O)N(C)C)[N@H+]1CC[C@H]1CNC(=O)Cn1cnnn1 ZINC001423077805 890626587 /nfs/dbraw/zinc/62/65/87/890626587.db2.gz KDWJEAHMDYIXFC-UWVGGRQHSA-N 1 2 295.347 -1.660 20 0 CAADLO CN1CC[C@@H]([N@H+]2CC[C@@H]2CNC(=O)Cn2ncnn2)C1=O ZINC001423105887 890626967 /nfs/dbraw/zinc/62/69/67/890626967.db2.gz ZMHSLUJIJWZNJY-NXEZZACHSA-N 1 2 293.331 -1.906 20 0 CAADLO CN1CC[C@@H]([N@@H+]2CC[C@@H]2CNC(=O)Cn2ncnn2)C1=O ZINC001423105887 890626958 /nfs/dbraw/zinc/62/69/58/890626958.db2.gz ZMHSLUJIJWZNJY-NXEZZACHSA-N 1 2 293.331 -1.906 20 0 CAADLO CN(C)S(=O)(=O)NCC(=O)NC[C@@H]1CC[N@@H+]1CCF ZINC001423121472 890628612 /nfs/dbraw/zinc/62/86/12/890628612.db2.gz TWWWXUJMHSPVEU-VIFPVBQESA-N 1 2 296.368 -1.458 20 0 CAADLO CN(C)S(=O)(=O)NCC(=O)NC[C@@H]1CC[N@H+]1CCF ZINC001423121472 890628615 /nfs/dbraw/zinc/62/86/15/890628615.db2.gz TWWWXUJMHSPVEU-VIFPVBQESA-N 1 2 296.368 -1.458 20 0 CAADLO O=C(Cn1cncn1)NC[C@H]1CC[N@@H+]1[C@@H]1CCCNC1=O ZINC001423156204 890628919 /nfs/dbraw/zinc/62/89/19/890628919.db2.gz DJHAWUQVTGSVKC-GHMZBOCLSA-N 1 2 292.343 -1.253 20 0 CAADLO O=C(Cn1cncn1)NC[C@H]1CC[N@H+]1[C@@H]1CCCNC1=O ZINC001423156204 890628925 /nfs/dbraw/zinc/62/89/25/890628925.db2.gz DJHAWUQVTGSVKC-GHMZBOCLSA-N 1 2 292.343 -1.253 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CC[C@H]1CNC(=O)CCNC(N)=O ZINC001423155812 890629413 /nfs/dbraw/zinc/62/94/13/890629413.db2.gz MIVUXYNWNFTXRB-SFYZADRCSA-N 1 2 271.321 -1.891 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CC[C@H]1CNC(=O)CCNC(N)=O ZINC001423155812 890629419 /nfs/dbraw/zinc/62/94/19/890629419.db2.gz MIVUXYNWNFTXRB-SFYZADRCSA-N 1 2 271.321 -1.891 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CC[C@H]1CNC(=O)CCNC(N)=O ZINC001423155813 890629585 /nfs/dbraw/zinc/62/95/85/890629585.db2.gz MIVUXYNWNFTXRB-YUMQZZPRSA-N 1 2 271.321 -1.891 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CC[C@H]1CNC(=O)CCNC(N)=O ZINC001423155813 890629588 /nfs/dbraw/zinc/62/95/88/890629588.db2.gz MIVUXYNWNFTXRB-YUMQZZPRSA-N 1 2 271.321 -1.891 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CC[C@@H]1CNC(=O)CCNC(N)=O ZINC001423155808 890629722 /nfs/dbraw/zinc/62/97/22/890629722.db2.gz MIVUXYNWNFTXRB-HTQZYQBOSA-N 1 2 271.321 -1.891 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CC[C@@H]1CNC(=O)CCNC(N)=O ZINC001423155808 890629731 /nfs/dbraw/zinc/62/97/31/890629731.db2.gz MIVUXYNWNFTXRB-HTQZYQBOSA-N 1 2 271.321 -1.891 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CC[C@@H]1CNC(=O)CCNC(N)=O ZINC001423155810 890629854 /nfs/dbraw/zinc/62/98/54/890629854.db2.gz MIVUXYNWNFTXRB-JGVFFNPUSA-N 1 2 271.321 -1.891 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CC[C@@H]1CNC(=O)CCNC(N)=O ZINC001423155810 890629862 /nfs/dbraw/zinc/62/98/62/890629862.db2.gz MIVUXYNWNFTXRB-JGVFFNPUSA-N 1 2 271.321 -1.891 20 0 CAADLO C[C@@H](C[NH+]1CCOCC1)N(C)Cc1cn(CC(N)=O)nn1 ZINC001423165969 890632376 /nfs/dbraw/zinc/63/23/76/890632376.db2.gz SFGLLGDJNXOSQU-NSHDSACASA-N 1 2 296.375 -1.084 20 0 CAADLO CCOCC(=O)NC[C@H](CO)[NH2+]Cc1nncn1C ZINC001423179810 890632672 /nfs/dbraw/zinc/63/26/72/890632672.db2.gz SWOQQLAEDAJGKV-SECBINFHSA-N 1 2 271.321 -1.582 20 0 CAADLO CC(C)CC(=O)NC[C@H](CO)[NH2+]Cc1nnnn1C ZINC001423179693 890632839 /nfs/dbraw/zinc/63/28/39/890632839.db2.gz RUFIJLHAAQBFPA-SECBINFHSA-N 1 2 270.337 -1.177 20 0 CAADLO Cn1nnnc1C[NH2+][C@H](CO)CNC(=O)c1cocn1 ZINC001423189422 890635124 /nfs/dbraw/zinc/63/51/24/890635124.db2.gz KPKBXXRIDVAGRE-ZETCQYMHSA-N 1 2 281.276 -1.921 20 0 CAADLO C[C@@H]([NH2+][C@@H](CO)CNC(=O)c1cn[nH]c1)c1nnnn1C ZINC001423187424 890635242 /nfs/dbraw/zinc/63/52/42/890635242.db2.gz IDPKCWGPZJCGHB-VXNVDRBHSA-N 1 2 294.319 -1.625 20 0 CAADLO NC(=O)CCCC(=O)NC[C@H]1CC[N@@H+]1[C@H]1CCNC1=O ZINC001423182709 890635988 /nfs/dbraw/zinc/63/59/88/890635988.db2.gz OJHJXAQNLQYEAZ-ZJUUUORDSA-N 1 2 282.344 -1.279 20 0 CAADLO NC(=O)CCCC(=O)NC[C@H]1CC[N@H+]1[C@H]1CCNC1=O ZINC001423182709 890635995 /nfs/dbraw/zinc/63/59/95/890635995.db2.gz OJHJXAQNLQYEAZ-ZJUUUORDSA-N 1 2 282.344 -1.279 20 0 CAADLO Cc1nnc(C[NH2+][C@H](CO)CNC(=O)Cn2cccn2)[nH]1 ZINC001423184362 890636259 /nfs/dbraw/zinc/63/62/59/890636259.db2.gz YZMHHJRKIKOWAQ-JTQLQIEISA-N 1 2 293.331 -1.423 20 0 CAADLO C[C@H]([NH2+][C@H](CO)CNC(=O)c1cn[nH]c1)c1nnnn1C ZINC001423187419 890636608 /nfs/dbraw/zinc/63/66/08/890636608.db2.gz IDPKCWGPZJCGHB-CBAPKCEASA-N 1 2 294.319 -1.625 20 0 CAADLO Cn1cnnc1C[NH2+]C1(CNC(=O)Cn2cnnn2)CC1 ZINC001423183026 890636649 /nfs/dbraw/zinc/63/66/49/890636649.db2.gz SWEHUZPHIGHVCX-UHFFFAOYSA-N 1 2 291.319 -1.760 20 0 CAADLO Cn1ncc(C[NH2+][C@@H](CO)CNC(=O)C[C@@H]2CCOC2)n1 ZINC001423198675 890638220 /nfs/dbraw/zinc/63/82/20/890638220.db2.gz UKUGOFVPRCCAOU-CMPLNLGQSA-N 1 2 297.359 -1.192 20 0 CAADLO Cn1cc(C[NH2+][C@H](CO)CNC(=O)C[C@@H]2CCOC2)nn1 ZINC001423198693 890638364 /nfs/dbraw/zinc/63/83/64/890638364.db2.gz UONJVXBUDJQJAD-JQWIXIFHSA-N 1 2 297.359 -1.192 20 0 CAADLO Cc1conc1C[NH2+][C@@H](CO)CNC(=O)Cn1cnnn1 ZINC001423200761 890638390 /nfs/dbraw/zinc/63/83/90/890638390.db2.gz WXYPUPUIGBJISH-SECBINFHSA-N 1 2 295.303 -1.764 20 0 CAADLO Cn1cc(C(=O)NC[C@@H](CO)[NH2+]Cc2ncnn2C)cn1 ZINC001423200801 890638686 /nfs/dbraw/zinc/63/86/86/890638686.db2.gz XBPRTDXHEHJXFS-JTQLQIEISA-N 1 2 293.331 -1.571 20 0 CAADLO Cc1ccc(C(=O)NC[C@@H](CO)[NH2+]Cc2nnnn2C)o1 ZINC001423199869 890638803 /nfs/dbraw/zinc/63/88/03/890638803.db2.gz UWTUZQNKQXOSEZ-VIFPVBQESA-N 1 2 294.315 -1.008 20 0 CAADLO Cn1ncc(C[NH2+][C@@H](CO)CNC(=O)C[C@H]2CCOC2)n1 ZINC001423198680 890640234 /nfs/dbraw/zinc/64/02/34/890640234.db2.gz UKUGOFVPRCCAOU-ZYHUDNBSSA-N 1 2 297.359 -1.192 20 0 CAADLO Cc1c[nH]nc1C(=O)NC[C@@H](CO)[NH2+]Cc1cnn(C)n1 ZINC001423211067 890641299 /nfs/dbraw/zinc/64/12/99/890641299.db2.gz OTBYSJLZPXUVST-JTQLQIEISA-N 1 2 293.331 -1.273 20 0 CAADLO Cc1c[nH]nc1C(=O)NC[C@@H](CO)[NH2+]Cc1ncnn1C ZINC001423202887 890641461 /nfs/dbraw/zinc/64/14/61/890641461.db2.gz AECBYYKCIXAYSR-VIFPVBQESA-N 1 2 293.331 -1.273 20 0 CAADLO Cn1cc(C(=O)NCC2([NH2+]Cc3ncnn3C)CC2)nn1 ZINC001423208987 890641601 /nfs/dbraw/zinc/64/16/01/890641601.db2.gz DIBIAWBYJPSNNK-UHFFFAOYSA-N 1 2 290.331 -1.004 20 0 CAADLO Cn1cnnc1C[NH2+][C@H](CO)CNC(=O)[C@@H]1CCCOC1 ZINC001423217789 890644714 /nfs/dbraw/zinc/64/47/14/890644714.db2.gz YVAOCRPFPDELDZ-MNOVXSKESA-N 1 2 297.359 -1.192 20 0 CAADLO Cc1ncoc1C(=O)NC[C@@H](CO)[NH2+]Cc1ncnn1C ZINC001423217853 890644766 /nfs/dbraw/zinc/64/47/66/890644766.db2.gz FOEANIOQDMNOFJ-VIFPVBQESA-N 1 2 294.315 -1.008 20 0 CAADLO Cc1ocnc1C(=O)NC[C@H](CO)[NH2+]Cc1ncnn1C ZINC001423217802 890645660 /nfs/dbraw/zinc/64/56/60/890645660.db2.gz YXZVBIBNFSFGOP-SECBINFHSA-N 1 2 294.315 -1.008 20 0 CAADLO Cn1cnnc1C[NH2+][C@H](CO)CNC(=O)[C@H]1CCCOC1 ZINC001423217790 890645812 /nfs/dbraw/zinc/64/58/12/890645812.db2.gz YVAOCRPFPDELDZ-QWRGUYRKSA-N 1 2 297.359 -1.192 20 0 CAADLO CO[C@@H](C)C(=O)NC[C@H](CO)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001423212972 890645889 /nfs/dbraw/zinc/64/58/89/890645889.db2.gz UZEKQHSSYVUJJP-JGVFFNPUSA-N 1 2 287.320 -2.290 20 0 CAADLO Cc1ocnc1C(=O)NC[C@@H](CO)[NH2+]Cc1ncnn1C ZINC001423217803 890645934 /nfs/dbraw/zinc/64/59/34/890645934.db2.gz YXZVBIBNFSFGOP-VIFPVBQESA-N 1 2 294.315 -1.008 20 0 CAADLO Cn1cnnc1C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCCOC1 ZINC001423217786 890645947 /nfs/dbraw/zinc/64/59/47/890645947.db2.gz YVAOCRPFPDELDZ-GHMZBOCLSA-N 1 2 297.359 -1.192 20 0 CAADLO CO[C@H](C)C(=O)NC[C@@H](CO)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001423212975 890646323 /nfs/dbraw/zinc/64/63/23/890646323.db2.gz UZEKQHSSYVUJJP-SFYZADRCSA-N 1 2 287.320 -2.290 20 0 CAADLO CNC(=O)NCC(=O)NCC1([NH2+]Cc2nncn2C)CC1 ZINC001423228924 890647963 /nfs/dbraw/zinc/64/79/63/890647963.db2.gz MMLPXQRZNVYPMC-UHFFFAOYSA-N 1 2 295.347 -1.518 20 0 CAADLO Cc1nocc1C[NH2+][C@@H](CO)CNC(=O)c1cn[nH]n1 ZINC001423226299 890648098 /nfs/dbraw/zinc/64/80/98/890648098.db2.gz HHWVBXZFXZVPEM-SECBINFHSA-N 1 2 280.288 -1.018 20 0 CAADLO Cc1nocc1C[NH2+][C@@H](CO)CNC(=O)c1cnn[nH]1 ZINC001423226299 890648102 /nfs/dbraw/zinc/64/81/02/890648102.db2.gz HHWVBXZFXZVPEM-SECBINFHSA-N 1 2 280.288 -1.018 20 0 CAADLO Cc1nnc(C[NH2+][C@H](CO)CNC(=O)c2cncnc2)[nH]1 ZINC001423230361 890650464 /nfs/dbraw/zinc/65/04/64/890650464.db2.gz LLGQPQUUQKBRAN-JTQLQIEISA-N 1 2 291.315 -1.216 20 0 CAADLO C[C@H]([NH2+]C1(CNC(=O)c2cn[nH]n2)CC1)c1nnnn1C ZINC001423241346 890650846 /nfs/dbraw/zinc/65/08/46/890650846.db2.gz UDWBIJIMUAWAEF-ZETCQYMHSA-N 1 2 291.319 -1.059 20 0 CAADLO Cn1[nH]c(C[NH2+][C@H](CO)CNC(=O)[C@@H]2CC23CC3)nc1=O ZINC001423275545 890656833 /nfs/dbraw/zinc/65/68/33/890656833.db2.gz VYTKGZZNYOJRMC-IUCAKERBSA-N 1 2 295.343 -1.525 20 0 CAADLO Cn1nnc(C(=O)NC[C@H](CO)[NH2+]Cc2cscn2)n1 ZINC001423261828 890657091 /nfs/dbraw/zinc/65/70/91/890657091.db2.gz OIRABHPLGJWDSD-SSDOTTSWSA-N 1 2 297.344 -1.453 20 0 CAADLO Cn1ncnc1C[NH2+][C@H](CO)CNC(=O)c1n[nH]cc1F ZINC001423275640 890657238 /nfs/dbraw/zinc/65/72/38/890657238.db2.gz WUYSXTWTKQTRNF-ZETCQYMHSA-N 1 2 297.294 -1.442 20 0 CAADLO C[C@@H](CC(N)=O)C(=O)NC[C@@H](CO)[NH2+]Cc1cnn(C)n1 ZINC001423273202 890657293 /nfs/dbraw/zinc/65/72/93/890657293.db2.gz YOFPRWXWRBZVHB-WPRPVWTQSA-N 1 2 298.347 -2.107 20 0 CAADLO Cc1nocc1C(=O)NC[C@@H](CO)[NH2+]Cc1cnn(C)n1 ZINC001423262909 890657311 /nfs/dbraw/zinc/65/73/11/890657311.db2.gz YVGKXFUYVMOZPR-JTQLQIEISA-N 1 2 294.315 -1.008 20 0 CAADLO C[C@H](CC(N)=O)C(=O)NC[C@H](CO)[NH2+]Cc1cnn(C)n1 ZINC001423273185 890657564 /nfs/dbraw/zinc/65/75/64/890657564.db2.gz YOFPRWXWRBZVHB-PSASIEDQSA-N 1 2 298.347 -2.107 20 0 CAADLO O=C(CCc1cnn[nH]1)NCC1([NH2+][C@H]2CCNC2=O)CC1 ZINC001423273323 890658584 /nfs/dbraw/zinc/65/85/84/890658584.db2.gz XILOWZGQFVTOAE-JTQLQIEISA-N 1 2 292.343 -1.136 20 0 CAADLO Cn1ncc(C[NH2+][C@H](CO)CNC(=O)c2n[nH]cc2F)n1 ZINC001423262185 890658903 /nfs/dbraw/zinc/65/89/03/890658903.db2.gz BTDACBRQGFZVRN-QMMMGPOBSA-N 1 2 297.294 -1.442 20 0 CAADLO Cn1cc(C[NH2+][C@@H](CO)CNC(=O)[C@@H]2CCC(=O)N2)nn1 ZINC001423281642 890659761 /nfs/dbraw/zinc/65/97/61/890659761.db2.gz IKQHAINDRXYDFH-ZJUUUORDSA-N 1 2 296.331 -2.340 20 0 CAADLO Cc1conc1C[NH2+][C@H](CO)CNC(=O)[C@@H]1CCC(=O)N1 ZINC001423279394 890659960 /nfs/dbraw/zinc/65/99/60/890659960.db2.gz DIGPJCRHYLCEEX-UWVGGRQHSA-N 1 2 296.327 -1.172 20 0 CAADLO Cn1cc(C[NH2+][C@@H](CO)CNC(=O)c2ncccn2)nn1 ZINC001423295678 890660135 /nfs/dbraw/zinc/66/01/35/890660135.db2.gz XCXFFJQZGZCAOQ-SNVBAGLBSA-N 1 2 291.315 -1.514 20 0 CAADLO Cc1conc1C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCC(=O)N1 ZINC001423279397 890660389 /nfs/dbraw/zinc/66/03/89/890660389.db2.gz DIGPJCRHYLCEEX-ZJUUUORDSA-N 1 2 296.327 -1.172 20 0 CAADLO CCN(C)C(=O)C[NH2+][C@@H](CO)CNC(=O)Cc1nnc[nH]1 ZINC001423280704 890660571 /nfs/dbraw/zinc/66/05/71/890660571.db2.gz NWUCBLCTFFCXAB-SECBINFHSA-N 1 2 298.347 -2.108 20 0 CAADLO Cc1conc1C(=O)NC[C@@H](CO)[NH2+]Cc1cnn(C)n1 ZINC001423287136 890661182 /nfs/dbraw/zinc/66/11/82/890661182.db2.gz ZLDNOXCELLXXSD-JTQLQIEISA-N 1 2 294.315 -1.008 20 0 CAADLO CCn1ncc(C[NH2+][C@@H](CO)CNC(=O)c2cnon2)n1 ZINC001423290896 890661258 /nfs/dbraw/zinc/66/12/58/890661258.db2.gz QFNSOLNOWQSJBQ-SECBINFHSA-N 1 2 295.303 -1.439 20 0 CAADLO CCn1ncc(C[NH2+][C@H](CO)CNC(=O)c2cnon2)n1 ZINC001423290901 890661381 /nfs/dbraw/zinc/66/13/81/890661381.db2.gz QFNSOLNOWQSJBQ-VIFPVBQESA-N 1 2 295.303 -1.439 20 0 CAADLO Cn1ncnc1C[NH2+][C@H](CO)CNC(=O)[C@@H]1CCC(=O)N1 ZINC001423288049 890661544 /nfs/dbraw/zinc/66/15/44/890661544.db2.gz XXGGSGXIOVFGQO-IUCAKERBSA-N 1 2 296.331 -2.340 20 0 CAADLO COCC(=O)N[C@H]1CCC[N@H+](CC(=O)NC(N)=O)[C@H]1C ZINC001423355606 890668377 /nfs/dbraw/zinc/66/83/77/890668377.db2.gz HDUKNHUGALOSOQ-IUCAKERBSA-N 1 2 286.332 -1.203 20 0 CAADLO COCC(=O)N[C@H]1CCC[N@@H+](CC(=O)NC(N)=O)[C@H]1C ZINC001423355606 890668386 /nfs/dbraw/zinc/66/83/86/890668386.db2.gz HDUKNHUGALOSOQ-IUCAKERBSA-N 1 2 286.332 -1.203 20 0 CAADLO CC(=O)NCC(=O)N(C)C[C@H](O)C[NH2+]Cc1nnc(C)o1 ZINC001423424604 890671587 /nfs/dbraw/zinc/67/15/87/890671587.db2.gz BUISILPWJYMNTI-SNVBAGLBSA-N 1 2 299.331 -1.577 20 0 CAADLO CN(C[C@@H](O)C[NH2+]Cc1csnn1)C(=O)c1nc[nH]n1 ZINC001423480611 890682319 /nfs/dbraw/zinc/68/23/19/890682319.db2.gz FKOLVTGJCJVNGS-QMMMGPOBSA-N 1 2 297.344 -1.121 20 0 CAADLO COCC[N@H+](CCNC(=O)[C@@H]1C[C@H](C)CO1)CC(N)=O ZINC001423635077 890688572 /nfs/dbraw/zinc/68/85/72/890688572.db2.gz YGXJDAAVWIATHD-QWRGUYRKSA-N 1 2 287.360 -1.039 20 0 CAADLO COCC[N@@H+](CCNC(=O)[C@@H]1C[C@H](C)CO1)CC(N)=O ZINC001423635077 890688577 /nfs/dbraw/zinc/68/85/77/890688577.db2.gz YGXJDAAVWIATHD-QWRGUYRKSA-N 1 2 287.360 -1.039 20 0 CAADLO COC[C@@H]1CN(S(=O)(=O)N2CC[NH+](C)CC2)CCO1 ZINC001423715660 890688265 /nfs/dbraw/zinc/68/82/65/890688265.db2.gz HRLBOLOLXDOPTQ-NSHDSACASA-N 1 2 293.389 -1.174 20 0 CAADLO COCC[N@H+](CCNC(=O)[C@@H]1C[C@@H](C)CO1)CC(N)=O ZINC001423635073 890688682 /nfs/dbraw/zinc/68/86/82/890688682.db2.gz YGXJDAAVWIATHD-MNOVXSKESA-N 1 2 287.360 -1.039 20 0 CAADLO COCC[N@@H+](CCNC(=O)[C@@H]1C[C@@H](C)CO1)CC(N)=O ZINC001423635073 890688688 /nfs/dbraw/zinc/68/86/88/890688688.db2.gz YGXJDAAVWIATHD-MNOVXSKESA-N 1 2 287.360 -1.039 20 0 CAADLO COCC[N@H+](CCNC(=O)[C@H]1C[C@H](C)CO1)CC(N)=O ZINC001423635079 890689125 /nfs/dbraw/zinc/68/91/25/890689125.db2.gz YGXJDAAVWIATHD-WDEREUQCSA-N 1 2 287.360 -1.039 20 0 CAADLO COCC[N@H+](CCNC(=O)c1cnnn1C)[C@@H](C)C(N)=O ZINC001423624425 890688984 /nfs/dbraw/zinc/68/89/84/890688984.db2.gz FGWQMTBDZZDDHR-VIFPVBQESA-N 1 2 298.347 -1.633 20 0 CAADLO COCC[N@@H+](CCNC(=O)c1cnnn1C)[C@@H](C)C(N)=O ZINC001423624425 890688987 /nfs/dbraw/zinc/68/89/87/890688987.db2.gz FGWQMTBDZZDDHR-VIFPVBQESA-N 1 2 298.347 -1.633 20 0 CAADLO Cn1[nH]c(C[N@@H+]2CC[C@@](O)(CNC(=O)C3CC3)C2)nc1=O ZINC001423737487 890689724 /nfs/dbraw/zinc/68/97/24/890689724.db2.gz JRNWDQJZXIHJCA-CYBMUJFWSA-N 1 2 295.343 -1.429 20 0 CAADLO Cn1[nH]c(C[N@H+]2CC[C@@](O)(CNC(=O)C3CC3)C2)nc1=O ZINC001423737487 890689734 /nfs/dbraw/zinc/68/97/34/890689734.db2.gz JRNWDQJZXIHJCA-CYBMUJFWSA-N 1 2 295.343 -1.429 20 0 CAADLO COCC[N@H+](CCNC(=O)[C@H]1CCO[C@@H]1C)CC(N)=O ZINC001423653510 890689960 /nfs/dbraw/zinc/68/99/60/890689960.db2.gz ZSTFBDUAKBYTSY-MNOVXSKESA-N 1 2 287.360 -1.039 20 0 CAADLO COCC[N@@H+](CCNC(=O)[C@H]1CCO[C@@H]1C)CC(N)=O ZINC001423653510 890689966 /nfs/dbraw/zinc/68/99/66/890689966.db2.gz ZSTFBDUAKBYTSY-MNOVXSKESA-N 1 2 287.360 -1.039 20 0 CAADLO COCC[N@H+](CCNC(=O)[C@@H]1CCO[C@H]1C)CC(N)=O ZINC001423653527 890689998 /nfs/dbraw/zinc/68/99/98/890689998.db2.gz ZSTFBDUAKBYTSY-WDEREUQCSA-N 1 2 287.360 -1.039 20 0 CAADLO COCC[N@@H+](CCNC(=O)[C@@H]1CCO[C@H]1C)CC(N)=O ZINC001423653527 890690006 /nfs/dbraw/zinc/69/00/06/890690006.db2.gz ZSTFBDUAKBYTSY-WDEREUQCSA-N 1 2 287.360 -1.039 20 0 CAADLO COCC[N@H+](CCNC(=O)[C@H]1C[C@@H](C)CO1)CC(N)=O ZINC001423635070 890690288 /nfs/dbraw/zinc/69/02/88/890690288.db2.gz YGXJDAAVWIATHD-GHMZBOCLSA-N 1 2 287.360 -1.039 20 0 CAADLO COCC[N@@H+](CCNC(=O)[C@H]1C[C@@H](C)CO1)CC(N)=O ZINC001423635070 890690295 /nfs/dbraw/zinc/69/02/95/890690295.db2.gz YGXJDAAVWIATHD-GHMZBOCLSA-N 1 2 287.360 -1.039 20 0 CAADLO COC[C@H]1CN(S(=O)(=O)N2CC[NH+](C)CC2)CCO1 ZINC001423715659 890690836 /nfs/dbraw/zinc/69/08/36/890690836.db2.gz HRLBOLOLXDOPTQ-LLVKDONJSA-N 1 2 293.389 -1.174 20 0 CAADLO CCn1cc(C[N@@H+]2CC[C@](O)(CNC(=O)COC)C2)nn1 ZINC001423745507 890693629 /nfs/dbraw/zinc/69/36/29/890693629.db2.gz CXQOZHZRLGZBDH-ZDUSSCGKSA-N 1 2 297.359 -1.003 20 0 CAADLO CCn1cc(C[N@H+]2CC[C@](O)(CNC(=O)COC)C2)nn1 ZINC001423745507 890693633 /nfs/dbraw/zinc/69/36/33/890693633.db2.gz CXQOZHZRLGZBDH-ZDUSSCGKSA-N 1 2 297.359 -1.003 20 0 CAADLO COC[C@@H](C)[NH+]1CC(O)(CNC(=O)CNC(C)=O)C1 ZINC001423799612 890699135 /nfs/dbraw/zinc/69/91/35/890699135.db2.gz WTYOPSMJUNLTNO-SECBINFHSA-N 1 2 273.333 -1.680 20 0 CAADLO CCn1ccc(CC(=O)NCC2(O)C[NH+](C[C@H](C)O)C2)n1 ZINC001423817957 890700426 /nfs/dbraw/zinc/70/04/26/890700426.db2.gz ASXXYJVJDRNHSF-NSHDSACASA-N 1 2 296.371 -1.011 20 0 CAADLO O=C(CN1CCCC1=O)NCC1(O)C[NH+](CCCO)C1 ZINC001423804262 890700682 /nfs/dbraw/zinc/70/06/82/890700682.db2.gz RCPIDYOFLLHJIM-UHFFFAOYSA-N 1 2 285.344 -1.846 20 0 CAADLO CCn1ccc(CC(=O)NCC2(O)C[NH+](C[C@@H](C)O)C2)n1 ZINC001423817955 890701581 /nfs/dbraw/zinc/70/15/81/890701581.db2.gz ASXXYJVJDRNHSF-LLVKDONJSA-N 1 2 296.371 -1.011 20 0 CAADLO CC[C@H](NS(=O)(=O)N1CC[NH+](C)CC1)C(=O)NC ZINC001424238529 890728354 /nfs/dbraw/zinc/72/83/54/890728354.db2.gz MPBXHRAWWBMIQI-VIFPVBQESA-N 1 2 278.378 -1.407 20 0 CAADLO CO[C@H](C)C[NH+]1CC(O)(CNC(=O)[C@H]2CCCC(=O)N2)C1 ZINC001423834123 890703681 /nfs/dbraw/zinc/70/36/81/890703681.db2.gz RDXGDFPYSPZUKB-GHMZBOCLSA-N 1 2 299.371 -1.147 20 0 CAADLO C[C@H](O)C[NH+]1CC(O)(CNC(=O)Cn2ncn(C)c2=O)C1 ZINC001423837800 890704051 /nfs/dbraw/zinc/70/40/51/890704051.db2.gz BYZJJNXZAMIKKJ-VIFPVBQESA-N 1 2 299.331 -2.875 20 0 CAADLO C[C@@H](O)C[NH+]1CC(O)(CNC(=O)C[C@@H]2CCN(C)C2=O)C1 ZINC001423833652 890704126 /nfs/dbraw/zinc/70/41/26/890704126.db2.gz OLLMJTUQMDBLRR-MNOVXSKESA-N 1 2 299.371 -1.602 20 0 CAADLO C[C@H](O)C[NH+]1CC(O)(CNC(=O)C[C@H]2CCN(C)C2=O)C1 ZINC001423833666 890704225 /nfs/dbraw/zinc/70/42/25/890704225.db2.gz OLLMJTUQMDBLRR-WDEREUQCSA-N 1 2 299.371 -1.602 20 0 CAADLO Cc1ccnc(C(=O)NCC2(O)C[NH+](CCCO)C2)n1 ZINC001423837550 890704453 /nfs/dbraw/zinc/70/44/53/890704453.db2.gz TYZQDBQFCORFMU-UHFFFAOYSA-N 1 2 280.328 -1.056 20 0 CAADLO CCn1ncc(C(=O)NCC2(O)C[NH+](C[C@@H](C)O)C2)n1 ZINC001423827390 890704564 /nfs/dbraw/zinc/70/45/64/890704564.db2.gz VCCPRVNMMRBHAN-SECBINFHSA-N 1 2 283.332 -1.545 20 0 CAADLO COC[C@H](C)[NH+]1CC(O)(CNC(=O)[C@H]2CCCC(=O)N2)C1 ZINC001423831224 890704787 /nfs/dbraw/zinc/70/47/87/890704787.db2.gz FFOFXAJPQSXILH-WDEREUQCSA-N 1 2 299.371 -1.147 20 0 CAADLO C[C@H](O)C[NH+]1CC(O)(CNC(=O)C[C@@H]2CCN(C)C2=O)C1 ZINC001423833659 890704974 /nfs/dbraw/zinc/70/49/74/890704974.db2.gz OLLMJTUQMDBLRR-QWRGUYRKSA-N 1 2 299.371 -1.602 20 0 CAADLO C[C@@H](O)C[NH+]1CC(O)(CNC(=O)C[C@H]2CCN(C)C2=O)C1 ZINC001423833221 890705210 /nfs/dbraw/zinc/70/52/10/890705210.db2.gz OLLMJTUQMDBLRR-GHMZBOCLSA-N 1 2 299.371 -1.602 20 0 CAADLO CN1CC[C@H](CC(=O)NCC2(O)C[NH+](CCCO)C2)C1=O ZINC001423832337 890705509 /nfs/dbraw/zinc/70/55/09/890705509.db2.gz KGYKGKZUQPVAEB-LLVKDONJSA-N 1 2 299.371 -1.600 20 0 CAADLO O=C(NCC1(O)C[NH+](CCCO)C1)[C@H]1CCC(=O)N1 ZINC001423826483 890705569 /nfs/dbraw/zinc/70/55/69/890705569.db2.gz IHKSCXOLBFLNOY-SECBINFHSA-N 1 2 271.317 -2.190 20 0 CAADLO C[C@H](O)C[NH+]1CC(O)(CNC(=O)CCc2ccncn2)C1 ZINC001423826623 890705747 /nfs/dbraw/zinc/70/57/47/890705747.db2.gz RKPGPTAFVJZGKK-NSHDSACASA-N 1 2 294.355 -1.047 20 0 CAADLO C[C@H](O)C[NH+]1CC(O)(CNC(=O)CCc2nccn2C)C1 ZINC001423869305 890706824 /nfs/dbraw/zinc/70/68/24/890706824.db2.gz NFHZMYNJKZTZRX-NSHDSACASA-N 1 2 296.371 -1.104 20 0 CAADLO C[C@H](O)C[NH+]1CC(O)(CNC(=O)[C@H]2CC[C@@H](C(N)=O)C2)C1 ZINC001423872133 890707447 /nfs/dbraw/zinc/70/74/47/890707447.db2.gz RPRJEIDKZXYEJX-AXFHLTTASA-N 1 2 299.371 -1.568 20 0 CAADLO CC[NH+]1CC(O)(CNC(=O)C(C)(C)NS(C)(=O)=O)C1 ZINC001423876008 890707842 /nfs/dbraw/zinc/70/78/42/890707842.db2.gz JGMNZNCLKKKOBW-UHFFFAOYSA-N 1 2 293.389 -1.503 20 0 CAADLO C[C@@H](O)C[NH+]1CC(O)(CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC001423872341 890709187 /nfs/dbraw/zinc/70/91/87/890709187.db2.gz VQKLWJRAHWFNBL-QKFSQAGISA-N 1 2 296.367 -1.047 20 0 CAADLO CC[NH+]1CC(O)(CNC(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC001423875197 890709212 /nfs/dbraw/zinc/70/92/12/890709212.db2.gz HPYVJYSBKXSBFZ-UHFFFAOYSA-N 1 2 296.327 -2.120 20 0 CAADLO C[C@H](F)CC[NH+]1CC(O)(CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001423887562 890710901 /nfs/dbraw/zinc/71/09/01/890710901.db2.gz YECIFUSPTWEWKE-DTWKUNHWSA-N 1 2 288.323 -1.421 20 0 CAADLO COC[C@H](C)[NH+]1CC(O)(CNC(=O)Cn2cncn2)C1 ZINC001423902546 890711494 /nfs/dbraw/zinc/71/14/94/890711494.db2.gz GVXYRTJNUNFFSH-JTQLQIEISA-N 1 2 283.332 -1.524 20 0 CAADLO C[C@@H](F)CC[NH+]1CC(O)(CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001423887566 890712822 /nfs/dbraw/zinc/71/28/22/890712822.db2.gz YECIFUSPTWEWKE-RKDXNWHRSA-N 1 2 288.323 -1.421 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@@](CO)(NC(=O)Cc2ccon2)C1 ZINC001424029239 890714300 /nfs/dbraw/zinc/71/43/00/890714300.db2.gz QGOYBFOTCSKYKO-CYBMUJFWSA-N 1 2 296.327 -1.355 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@@](CO)(NC(=O)Cc2ccon2)C1 ZINC001424029239 890714314 /nfs/dbraw/zinc/71/43/14/890714314.db2.gz QGOYBFOTCSKYKO-CYBMUJFWSA-N 1 2 296.327 -1.355 20 0 CAADLO COCC[C@H](CO)NS(=O)(=O)N1CC[NH+](C)CC1 ZINC001423985716 890714342 /nfs/dbraw/zinc/71/43/42/890714342.db2.gz VMKGAUCWGBPDAW-SNVBAGLBSA-N 1 2 281.378 -1.534 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@](CO)(NC(=O)Cc2ccon2)C1 ZINC001424029243 890715354 /nfs/dbraw/zinc/71/53/54/890715354.db2.gz QGOYBFOTCSKYKO-ZDUSSCGKSA-N 1 2 296.327 -1.355 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@](CO)(NC(=O)Cc2ccon2)C1 ZINC001424029243 890715358 /nfs/dbraw/zinc/71/53/58/890715358.db2.gz QGOYBFOTCSKYKO-ZDUSSCGKSA-N 1 2 296.327 -1.355 20 0 CAADLO CC(=O)N(C)CC(=O)NC[C@H]1COCC[N@H+]1C[C@H](C)O ZINC001424097120 890720687 /nfs/dbraw/zinc/72/06/87/890720687.db2.gz DJMFOYMGCLCTRF-JQWIXIFHSA-N 1 2 287.360 -1.338 20 0 CAADLO CC(=O)N(C)CC(=O)NC[C@H]1COCC[N@@H+]1C[C@H](C)O ZINC001424097120 890720698 /nfs/dbraw/zinc/72/06/98/890720698.db2.gz DJMFOYMGCLCTRF-JQWIXIFHSA-N 1 2 287.360 -1.338 20 0 CAADLO CC(C)NC(=O)[C@@H](C)NS(=O)(=O)N1CC[NH+](C)CC1 ZINC001424222283 890723235 /nfs/dbraw/zinc/72/32/35/890723235.db2.gz COLICGRJRHQXQV-SNVBAGLBSA-N 1 2 292.405 -1.019 20 0 CAADLO C[C@@H](O)C[N@@H+]1CCOC[C@H]1CNC(=O)CCn1cnnn1 ZINC001424127690 890723984 /nfs/dbraw/zinc/72/39/84/890723984.db2.gz KQLBQFWJJHCEFX-GHMZBOCLSA-N 1 2 298.347 -1.739 20 0 CAADLO C[C@@H](O)C[N@H+]1CCOC[C@H]1CNC(=O)CCn1cnnn1 ZINC001424127690 890723997 /nfs/dbraw/zinc/72/39/97/890723997.db2.gz KQLBQFWJJHCEFX-GHMZBOCLSA-N 1 2 298.347 -1.739 20 0 CAADLO CC[C@@H](NS(=O)(=O)N1CC[NH+](C)CC1)C(=O)NC ZINC001424238528 890727334 /nfs/dbraw/zinc/72/73/34/890727334.db2.gz MPBXHRAWWBMIQI-SECBINFHSA-N 1 2 278.378 -1.407 20 0 CAADLO NC(=O)[C@@]1(NS(=O)(=O)CCn2cc[nH+]c2)CCOC1 ZINC001424299287 890727515 /nfs/dbraw/zinc/72/75/15/890727515.db2.gz RBWWXKUOYIFONM-SNVBAGLBSA-N 1 2 288.329 -1.553 20 0 CAADLO C[C@@H](CC(N)=O)C(=O)N[C@H]1COC2(C[NH+](CCCO)C2)C1 ZINC001424369160 890729747 /nfs/dbraw/zinc/72/97/47/890729747.db2.gz QOEKVBNZKVLEBV-WDEREUQCSA-N 1 2 299.371 -1.160 20 0 CAADLO C[C@H]1C(=O)N(C)CN1S(=O)(=O)N1CC[NH+](C)CC1 ZINC001424333790 890730048 /nfs/dbraw/zinc/73/00/48/890730048.db2.gz BTKGHPDXMWXHEI-VIFPVBQESA-N 1 2 276.362 -1.401 20 0 CAADLO C[C@@H](O)C[NH+]1CC2(C1)C[C@@H](NC(=O)CCCC(N)=O)CO2 ZINC001424361817 890731413 /nfs/dbraw/zinc/73/14/13/890731413.db2.gz KPMRDCWZHHYDDH-GHMZBOCLSA-N 1 2 299.371 -1.018 20 0 CAADLO C[C@H](O)C[NH+]1CC2(C1)C[C@@H](NC(=O)CCCC(N)=O)CO2 ZINC001424361824 890731649 /nfs/dbraw/zinc/73/16/49/890731649.db2.gz KPMRDCWZHHYDDH-WDEREUQCSA-N 1 2 299.371 -1.018 20 0 CAADLO CCN1CC[C@@H](NS(=O)(=O)N2CC[NH+](C)CC2)C1=O ZINC001424507214 890733032 /nfs/dbraw/zinc/73/30/32/890733032.db2.gz VXQZAJHHRKCVPW-SNVBAGLBSA-N 1 2 290.389 -1.311 20 0 CAADLO NC(=O)C[NH+]1CCC(CO)(NC(=O)c2cncnc2)CC1 ZINC001424643686 890738586 /nfs/dbraw/zinc/73/85/86/890738586.db2.gz VZEFNVUUXNUWRN-UHFFFAOYSA-N 1 2 293.327 -1.481 20 0 CAADLO CCC(=O)NCC(=O)N[C@@H](C)[C@H](C)[NH2+]Cc1nnn(C)n1 ZINC001424746938 890740306 /nfs/dbraw/zinc/74/03/06/890740306.db2.gz FDAMWFWEXNPQRB-IUCAKERBSA-N 1 2 297.363 -1.281 20 0 CAADLO CCC(=O)NCC(=O)N[C@H](C)[C@@H](C)[NH2+]Cc1nnn(C)n1 ZINC001424746940 890741899 /nfs/dbraw/zinc/74/18/99/890741899.db2.gz FDAMWFWEXNPQRB-RKDXNWHRSA-N 1 2 297.363 -1.281 20 0 CAADLO C[C@@H]([NH2+]Cc1nnnn1C)[C@H](C)NC(=O)c1cn[nH]n1 ZINC001424795312 890743779 /nfs/dbraw/zinc/74/37/79/890743779.db2.gz VHOMDKATADDBQP-RQJHMYQMSA-N 1 2 279.308 -1.375 20 0 CAADLO C[C@@H]([NH2+]Cc1nnnn1C)[C@H](C)NC(=O)c1cnn[nH]1 ZINC001424795312 890743788 /nfs/dbraw/zinc/74/37/88/890743788.db2.gz VHOMDKATADDBQP-RQJHMYQMSA-N 1 2 279.308 -1.375 20 0 CAADLO C[C@H](CNC(=O)c1cnon1)[N@H+](C)Cc1nc(=O)n(C)[nH]1 ZINC001425040453 890750243 /nfs/dbraw/zinc/75/02/43/890750243.db2.gz PVISKHIFFGYVAO-SSDOTTSWSA-N 1 2 295.303 -1.258 20 0 CAADLO C[C@H](CNC(=O)c1cnon1)[N@@H+](C)Cc1nc(=O)n(C)[nH]1 ZINC001425040453 890750255 /nfs/dbraw/zinc/75/02/55/890750255.db2.gz PVISKHIFFGYVAO-SSDOTTSWSA-N 1 2 295.303 -1.258 20 0 CAADLO C[C@H](O)C[NH+]1CC(CCO)(NC(=O)CCn2cncn2)C1 ZINC001425082083 890750312 /nfs/dbraw/zinc/75/03/12/890750312.db2.gz XTGKZVZQQFWQCN-NSHDSACASA-N 1 2 297.359 -1.398 20 0 CAADLO COc1c[nH]c(C(=O)NC[C@H](C)[N@H+](C)CC(N)=O)cc1=O ZINC001424992414 890750946 /nfs/dbraw/zinc/75/09/46/890750946.db2.gz ZSVLGPUDQAPJRL-QMMMGPOBSA-N 1 2 296.327 -1.081 20 0 CAADLO COc1c[nH]c(C(=O)NC[C@H](C)[N@@H+](C)CC(N)=O)cc1=O ZINC001424992414 890750960 /nfs/dbraw/zinc/75/09/60/890750960.db2.gz ZSVLGPUDQAPJRL-QMMMGPOBSA-N 1 2 296.327 -1.081 20 0 CAADLO C[C@@H](O)C[NH+]1CC(CCO)(NC(=O)CCn2cncn2)C1 ZINC001425082081 890752152 /nfs/dbraw/zinc/75/21/52/890752152.db2.gz XTGKZVZQQFWQCN-LLVKDONJSA-N 1 2 297.359 -1.398 20 0 CAADLO COc1c[nH]c(C(=O)NC[C@@H](C)[N@H+](C)CC(N)=O)cc1=O ZINC001424992409 890752475 /nfs/dbraw/zinc/75/24/75/890752475.db2.gz ZSVLGPUDQAPJRL-MRVPVSSYSA-N 1 2 296.327 -1.081 20 0 CAADLO COc1c[nH]c(C(=O)NC[C@@H](C)[N@@H+](C)CC(N)=O)cc1=O ZINC001424992409 890752487 /nfs/dbraw/zinc/75/24/87/890752487.db2.gz ZSVLGPUDQAPJRL-MRVPVSSYSA-N 1 2 296.327 -1.081 20 0 CAADLO C[C@@H](O)C[NH+]1CC(CCO)(NC(=O)C[C@@H]2CCC(=O)N2)C1 ZINC001425125287 890754233 /nfs/dbraw/zinc/75/42/33/890754233.db2.gz GBJXTQVLYPUKBL-MNOVXSKESA-N 1 2 299.371 -1.411 20 0 CAADLO C[C@@H](O)C[NH+]1CC(CCO)(NC(=O)[C@@H]2CCNC(=O)C2)C1 ZINC001425098958 890754265 /nfs/dbraw/zinc/75/42/65/890754265.db2.gz LZSNPQNMENNIDN-GHMZBOCLSA-N 1 2 299.371 -1.554 20 0 CAADLO C[C@H](O)C[NH+]1CC(CCO)(NC(=O)CCNC(N)=O)C1 ZINC001425141879 890755405 /nfs/dbraw/zinc/75/54/05/890755405.db2.gz MMOSLVVJKFTPBJ-VIFPVBQESA-N 1 2 288.348 -2.021 20 0 CAADLO C[C@@H](NC(=O)c1cocn1)C1C[NH+](CC(=O)NC(N)=O)C1 ZINC001425211317 890755466 /nfs/dbraw/zinc/75/54/66/890755466.db2.gz MTVNYXSBWROPJX-SSDOTTSWSA-N 1 2 295.299 -1.080 20 0 CAADLO C[C@@H](NC(=O)CO[C@@H]1CCOC1)C1C[NH+](CC(N)=O)C1 ZINC001425217227 890755968 /nfs/dbraw/zinc/75/59/68/890755968.db2.gz CVMOQARZYVSAMR-MWLCHTKSSA-N 1 2 285.344 -1.286 20 0 CAADLO C[C@H](O)C[NH+]1CC(CCO)(NC(=O)c2ccnn2C)C1 ZINC001425093969 890756099 /nfs/dbraw/zinc/75/60/99/890756099.db2.gz SCJNGATWXVHZCG-JTQLQIEISA-N 1 2 282.344 -1.033 20 0 CAADLO C[C@@H](O)C[NH+]1CC(CCO)(NC(=O)Cn2ncnn2)C1 ZINC001425097651 890756133 /nfs/dbraw/zinc/75/61/33/890756133.db2.gz XRCRDZHLNMSZQJ-SECBINFHSA-N 1 2 284.320 -2.393 20 0 CAADLO CNC(=O)C[NH+]1CC([C@H](C)NC(=O)CNC(C)=O)C1 ZINC001425209643 890756159 /nfs/dbraw/zinc/75/61/59/890756159.db2.gz YDJHKYOFCLQOFF-QMMMGPOBSA-N 1 2 270.333 -1.695 20 0 CAADLO COC(=O)[C@@H]1C[C@H]1C(=O)NC1(CCO)C[NH+](CCO)C1 ZINC001425094556 890756369 /nfs/dbraw/zinc/75/63/69/890756369.db2.gz YGGPROIMDJCKMM-NXEZZACHSA-N 1 2 286.328 -1.659 20 0 CAADLO C[C@H](O)C[NH+]1CC(CCO)(NC(=O)[C@H]2CCNC(=O)C2)C1 ZINC001425098964 890756462 /nfs/dbraw/zinc/75/64/62/890756462.db2.gz LZSNPQNMENNIDN-QWRGUYRKSA-N 1 2 299.371 -1.554 20 0 CAADLO CNC(=O)C[NH+]1CC([C@@H](C)NC(=O)[C@]2(C)CCC(=O)N2)C1 ZINC001425254334 890758641 /nfs/dbraw/zinc/75/86/41/890758641.db2.gz LSAWUYHHKRSWJL-OTYXRUKQSA-N 1 2 296.371 -1.162 20 0 CAADLO COCCC(=O)NC[C@@H](CO)NC(=O)Cc1c[nH]c[nH+]1 ZINC001425253205 890759001 /nfs/dbraw/zinc/75/90/01/890759001.db2.gz HPCKLRGHAVPOFQ-JTQLQIEISA-N 1 2 284.316 -1.418 20 0 CAADLO Cn1c[nH+]cc1CC(=O)N[C@@H](CO)CNC(=O)C1CC1 ZINC001425245954 890759598 /nfs/dbraw/zinc/75/95/98/890759598.db2.gz IUQQQJGLTLQWBE-SNVBAGLBSA-N 1 2 280.328 -1.034 20 0 CAADLO COCC(=O)NC[C@@H](CO)NC(=O)Cc1c[nH]c[nH+]1 ZINC001425273929 890761358 /nfs/dbraw/zinc/76/13/58/890761358.db2.gz GOPJQFAXKKHIFJ-VIFPVBQESA-N 1 2 270.289 -1.808 20 0 CAADLO O=C(Cc1c[nH]c[nH+]1)N[C@H](CO)CNC(=O)c1ccn[nH]1 ZINC001425287356 890764134 /nfs/dbraw/zinc/76/41/34/890764134.db2.gz KSMPYGQUTZLSQN-VIFPVBQESA-N 1 2 292.299 -1.418 20 0 CAADLO O=C(Cn1cc[nH+]c1)N[C@H](CO)CNC(=O)c1ccon1 ZINC001425297157 890764833 /nfs/dbraw/zinc/76/48/33/890764833.db2.gz JRIRXUIMNMGFIM-VIFPVBQESA-N 1 2 293.283 -1.222 20 0 CAADLO O=C(Cc1c[nH]c[nH+]1)N[C@@H](CO)CNC(=O)c1ccn[nH]1 ZINC001425287353 890765687 /nfs/dbraw/zinc/76/56/87/890765687.db2.gz KSMPYGQUTZLSQN-SECBINFHSA-N 1 2 292.299 -1.418 20 0 CAADLO O=C(Cc1[nH]cc[nH+]1)N[C@@H](CO)CNC(=O)c1cn[nH]c1 ZINC001425298682 890766123 /nfs/dbraw/zinc/76/61/23/890766123.db2.gz FJHNDLYLCXBNBB-SECBINFHSA-N 1 2 292.299 -1.418 20 0 CAADLO COC[C@H](C)C(=O)N[C@@H](CO)CNC(=O)Cn1cc[nH+]c1 ZINC001425426932 890777283 /nfs/dbraw/zinc/77/72/83/890777283.db2.gz MJUFJQHLSBWXTK-WDEREUQCSA-N 1 2 298.343 -1.241 20 0 CAADLO CSCC(=O)N[C@@H](CO)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001425488906 890784423 /nfs/dbraw/zinc/78/44/23/890784423.db2.gz NRGAKNVTDKLSHY-MRVPVSSYSA-N 1 2 286.357 -1.092 20 0 CAADLO O=C(Cc1c[nH]c[nH+]1)NC[C@@H](CO)NC(=O)c1cnco1 ZINC001425533283 890788515 /nfs/dbraw/zinc/78/85/15/890788515.db2.gz KKAJSXGNEJXTBY-VIFPVBQESA-N 1 2 293.283 -1.153 20 0 CAADLO CN(C(=O)Cc1ncn[nH]1)[C@H](C[NH2+]CC(N)=O)C1CC1 ZINC001425518640 890788586 /nfs/dbraw/zinc/78/85/86/890788586.db2.gz FPFDMEQMBURDKH-SECBINFHSA-N 1 2 280.332 -1.341 20 0 CAADLO CC(=O)NCC(=O)NC[C@H](CO)[NH2+]Cc1nc(C)oc1C ZINC001425693160 890793198 /nfs/dbraw/zinc/79/31/98/890793198.db2.gz GHMUJJIIYRRROA-LLVKDONJSA-N 1 2 298.343 -1.006 20 0 CAADLO Cn1nnnc1C[NH2+][C@H](CO)CNC(=O)C1=COCCO1 ZINC001425710245 890794443 /nfs/dbraw/zinc/79/44/43/890794443.db2.gz JRIFBEHTIRRJJY-QMMMGPOBSA-N 1 2 298.303 -2.335 20 0 CAADLO Cc1ncc(C(=O)NC[C@@H](CO)[NH2+]Cc2nnnn2C)[nH]1 ZINC001425712739 890794564 /nfs/dbraw/zinc/79/45/64/890794564.db2.gz MNFJLAWLIWAZGS-QMMMGPOBSA-N 1 2 294.319 -1.878 20 0 CAADLO CC(=O)NCC(=O)NC[C@H](CO)[NH2+]Cc1coc(C)n1 ZINC001425697144 890795856 /nfs/dbraw/zinc/79/58/56/890795856.db2.gz RKOVXPGMDOPFGN-SNVBAGLBSA-N 1 2 284.316 -1.314 20 0 CAADLO Cn1cc(C[NH2+][C@@H](CO)CNC(=O)c2cnsn2)nn1 ZINC001425711104 890795916 /nfs/dbraw/zinc/79/59/16/890795916.db2.gz JVZDSKPAJDRBQS-MRVPVSSYSA-N 1 2 297.344 -1.453 20 0 CAADLO Cc1ncc(C(=O)NC[C@H](CO)[NH2+]Cc2nnnn2C)[nH]1 ZINC001425712734 890796139 /nfs/dbraw/zinc/79/61/39/890796139.db2.gz MNFJLAWLIWAZGS-MRVPVSSYSA-N 1 2 294.319 -1.878 20 0 CAADLO Cn1ncc(C[NH2+][C@@H](CO)CNC(=O)c2cocn2)n1 ZINC001425706947 890796511 /nfs/dbraw/zinc/79/65/11/890796511.db2.gz CWCIQRKOCOOQGQ-SECBINFHSA-N 1 2 280.288 -1.316 20 0 CAADLO Cc1nnc(C[NH2+][C@H](CO)CNC(=O)[C@@H]2CCCO2)[nH]1 ZINC001425713026 890799354 /nfs/dbraw/zinc/79/93/54/890799354.db2.gz ODPDVMRQLFMMSH-UWVGGRQHSA-N 1 2 283.332 -1.141 20 0 CAADLO Cc1nnc(C[NH2+][C@@H](CO)CNC(=O)[C@@H]2CCCO2)[nH]1 ZINC001425713033 890799659 /nfs/dbraw/zinc/79/96/59/890799659.db2.gz ODPDVMRQLFMMSH-ZJUUUORDSA-N 1 2 283.332 -1.141 20 0 CAADLO CCC(=O)NCC(=O)NC[C@@H](CO)[NH2+]Cc1cnn(C)n1 ZINC001425715137 890800122 /nfs/dbraw/zinc/80/01/22/890800122.db2.gz SENDSXOOLXUIMI-JTQLQIEISA-N 1 2 298.347 -2.092 20 0 CAADLO CCn1nc(C)c(C[NH2+][C@@H](CO)CNC(=O)COC)n1 ZINC001425716096 890800353 /nfs/dbraw/zinc/80/03/53/890800353.db2.gz TYEUFVRSKPNXRD-SNVBAGLBSA-N 1 2 285.348 -1.180 20 0 CAADLO COCCC(=O)NC[C@H](CO)[NH2+]Cc1nonc1C ZINC001425719159 890800635 /nfs/dbraw/zinc/80/06/35/890800635.db2.gz PBDUBZXWFCHNDY-SECBINFHSA-N 1 2 272.305 -1.019 20 0 CAADLO COC[C@@H](C)C(=O)NC[C@@H](CO)[NH2+]Cc1nnc(C)[nH]1 ZINC001425716350 890801221 /nfs/dbraw/zinc/80/12/21/890801221.db2.gz WMKQIKBMRBAZOH-SCZZXKLOSA-N 1 2 285.348 -1.038 20 0 CAADLO COC[C@H](C)C(=O)NC[C@H](CO)[NH2+]Cc1nnc(C)[nH]1 ZINC001425716352 890801288 /nfs/dbraw/zinc/80/12/88/890801288.db2.gz WMKQIKBMRBAZOH-WCBMZHEXSA-N 1 2 285.348 -1.038 20 0 CAADLO CO[C@H](C)C(=O)NC[C@@H](CO)[NH2+]Cc1cn(C)nn1 ZINC001425721709 890802120 /nfs/dbraw/zinc/80/21/20/890802120.db2.gz KZNLDAOUMKMPBG-SCZZXKLOSA-N 1 2 271.321 -1.583 20 0 CAADLO COCCC(=O)N(C)C[C@@H](O)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001425727806 890802080 /nfs/dbraw/zinc/80/20/80/890802080.db2.gz QHKOIBZOGKTHFH-JTQLQIEISA-N 1 2 298.343 -1.076 20 0 CAADLO Cc1ncoc1C(=O)NC[C@@H](CO)[NH2+]Cc1nnnn1C ZINC001425727986 890802546 /nfs/dbraw/zinc/80/25/46/890802546.db2.gz BNSDCUGMYIYZNI-QMMMGPOBSA-N 1 2 295.303 -1.613 20 0 CAADLO CO[C@@H](C)CC(=O)NC[C@H](CO)[NH2+]Cc1nncn1C ZINC001425722866 890803156 /nfs/dbraw/zinc/80/31/56/890803156.db2.gz MRUQBUJANIBVPM-VHSXEESVSA-N 1 2 285.348 -1.193 20 0 CAADLO CO[C@H](C)C(=O)NC[C@H](CO)[NH2+]Cc1cn(C)nn1 ZINC001425721708 890803733 /nfs/dbraw/zinc/80/37/33/890803733.db2.gz KZNLDAOUMKMPBG-PSASIEDQSA-N 1 2 271.321 -1.583 20 0 CAADLO CC(C)C(=O)NC[C@@H](CO)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001425728176 890803807 /nfs/dbraw/zinc/80/38/07/890803807.db2.gz BTGFYGWWCQEULS-QMMMGPOBSA-N 1 2 271.321 -1.669 20 0 CAADLO COCCC(=O)N(C)C[C@H](O)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001425727809 890804087 /nfs/dbraw/zinc/80/40/87/890804087.db2.gz QHKOIBZOGKTHFH-SNVBAGLBSA-N 1 2 298.343 -1.076 20 0 CAADLO Cc1cc(C(=O)NC[C@H](CO)[NH2+]Cc2ncnn2C)[nH]n1 ZINC001425727657 890804608 /nfs/dbraw/zinc/80/46/08/890804608.db2.gz WPHAQCPOLDQZCT-SECBINFHSA-N 1 2 293.331 -1.273 20 0 CAADLO Cn1cnc(C(=O)NC[C@H](CO)[NH2+]Cc2nncn2C)c1 ZINC001425738809 890805937 /nfs/dbraw/zinc/80/59/37/890805937.db2.gz JITWWVRFVPGZRQ-SECBINFHSA-N 1 2 293.331 -1.571 20 0 CAADLO Cn1nnnc1C[NH2+][C@@H](CO)CNC(=O)[C@H]1CC1(C)C ZINC001425738861 890805970 /nfs/dbraw/zinc/80/59/70/890805970.db2.gz SBAVUDPNEVQNBU-RKDXNWHRSA-N 1 2 282.348 -1.177 20 0 CAADLO Cn1cnnc1C[NH2+][C@H](CO)CNC(=O)C1=CCOCC1 ZINC001425740452 890806269 /nfs/dbraw/zinc/80/62/69/890806269.db2.gz SWANRIZYRXMHDH-NSHDSACASA-N 1 2 295.343 -1.272 20 0 CAADLO Cn1cnc(C(=O)NC[C@@H](CO)[NH2+]Cc2nnnn2C)c1 ZINC001425740596 890806692 /nfs/dbraw/zinc/80/66/92/890806692.db2.gz KUMPHAJJVZIZKO-QMMMGPOBSA-N 1 2 294.319 -2.176 20 0 CAADLO Cc1nc(C(=O)NC[C@@H](CO)[NH2+]Cc2cn(C)nn2)co1 ZINC001425735116 890807333 /nfs/dbraw/zinc/80/73/33/890807333.db2.gz MOQYLXUBVMVRBI-JTQLQIEISA-N 1 2 294.315 -1.008 20 0 CAADLO Cn1nnnc1C[NH2+][C@@H](CO)CNC(=O)C1=CCOCC1 ZINC001425740556 890808260 /nfs/dbraw/zinc/80/82/60/890808260.db2.gz ULKSIWSNANDSCT-SNVBAGLBSA-N 1 2 296.331 -1.877 20 0 CAADLO Cc1nonc1C[NH2+][C@H](CO)CNC(=O)c1ncc[nH]1 ZINC001425749045 890809263 /nfs/dbraw/zinc/80/92/63/890809263.db2.gz VJVDLWQONQSTDN-QMMMGPOBSA-N 1 2 280.288 -1.018 20 0 CAADLO Cn1nnnc1C[NH2+][C@H](CO)CNC(=O)[C@H]1CC1(F)F ZINC001425749058 890809750 /nfs/dbraw/zinc/80/97/50/890809750.db2.gz VMDCBLPCRJQELR-NKWVEPMBSA-N 1 2 290.274 -1.568 20 0 CAADLO Cn1ncnc1C[NH2+][C@H](CO)CNC(=O)CC1(O)CCC1 ZINC001425745782 890810151 /nfs/dbraw/zinc/81/01/51/890810151.db2.gz MOCHWQDNMZFGFT-JTQLQIEISA-N 1 2 297.359 -1.313 20 0 CAADLO Cc1cc[nH]c1C(=O)NC[C@@H](CO)[NH2+]Cc1nnnn1C ZINC001425740825 890810604 /nfs/dbraw/zinc/81/06/04/890810604.db2.gz HYZITEZLMHUUCG-VIFPVBQESA-N 1 2 293.331 -1.273 20 0 CAADLO CC(=O)N(C)CC(=O)NC[C@H](CO)[NH2+]Cc1ncnn1C ZINC001425743631 890810973 /nfs/dbraw/zinc/81/09/73/890810973.db2.gz ULHBDXJUFGTBST-SNVBAGLBSA-N 1 2 298.347 -2.140 20 0 CAADLO Cc1cc[nH]c1C(=O)NC[C@H](CO)[NH2+]Cc1nnnn1C ZINC001425740823 890811460 /nfs/dbraw/zinc/81/14/60/890811460.db2.gz HYZITEZLMHUUCG-SECBINFHSA-N 1 2 293.331 -1.273 20 0 CAADLO Cc1conc1C[NH2+][C@@H](CO)CNC(=O)c1cn(C)nn1 ZINC001425741032 890812090 /nfs/dbraw/zinc/81/20/90/890812090.db2.gz ISTIRZWQSVUHQF-SECBINFHSA-N 1 2 294.315 -1.008 20 0 CAADLO CNC(=O)CN[C@@H](CO)CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001425772751 890816702 /nfs/dbraw/zinc/81/67/02/890816702.db2.gz RQJUCMRACHLCFF-GHMZBOCLSA-N 1 2 286.376 -1.717 20 0 CAADLO CNC(=O)CN[C@@H](CO)CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001425772751 890816710 /nfs/dbraw/zinc/81/67/10/890816710.db2.gz RQJUCMRACHLCFF-GHMZBOCLSA-N 1 2 286.376 -1.717 20 0 CAADLO COCC1(C(=O)NC[C@@H](CO)[NH2+]Cc2ncnn2C)CC1 ZINC001425772803 890817118 /nfs/dbraw/zinc/81/71/18/890817118.db2.gz DZQUEWZEKLTHRP-JTQLQIEISA-N 1 2 297.359 -1.192 20 0 CAADLO Cn1nccc1C[NH2+][C@H](CO)CNC(=O)c1cnn[nH]1 ZINC001425773629 890817531 /nfs/dbraw/zinc/81/75/31/890817531.db2.gz VRVIKLQDUWPDFB-QMMMGPOBSA-N 1 2 279.304 -1.581 20 0 CAADLO Cc1nn[nH]c1C(=O)NC[C@@H](CO)[NH2+]Cc1ncnn1C ZINC001425785932 890817660 /nfs/dbraw/zinc/81/76/60/890817660.db2.gz AICJBDKHBMYZJA-QMMMGPOBSA-N 1 2 294.319 -1.878 20 0 CAADLO COCC1(C(=O)NC[C@H](CO)[NH2+]Cc2ncnn2C)CC1 ZINC001425772807 890818909 /nfs/dbraw/zinc/81/89/09/890818909.db2.gz DZQUEWZEKLTHRP-SNVBAGLBSA-N 1 2 297.359 -1.192 20 0 CAADLO Cn1ncc(C[NH2+][C@@H](CO)CNC(=O)[C@H]2CNC(=O)N2)n1 ZINC001425799419 890820339 /nfs/dbraw/zinc/82/03/39/890820339.db2.gz PXVPAZJHSHCARC-RKDXNWHRSA-N 1 2 297.319 -2.937 20 0 CAADLO Cn1ncc(C[NH2+][C@@H](CO)CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)n1 ZINC001425801309 890820584 /nfs/dbraw/zinc/82/05/84/890820584.db2.gz ZIZNQPMSLYGVJI-WYUUTHIRSA-N 1 2 295.343 -1.726 20 0 CAADLO Cc1conc1C[NH2+][C@H](CO)CNC(=O)[C@H]1CNC(=O)N1 ZINC001425795762 890821658 /nfs/dbraw/zinc/82/16/58/890821658.db2.gz JYNLEIRENWSLKK-WCBMZHEXSA-N 1 2 297.315 -1.769 20 0 CAADLO Cn1ncc(C[NH2+][C@H](CO)CNC(=O)[C@H]2CNC(=O)N2)n1 ZINC001425799391 890821964 /nfs/dbraw/zinc/82/19/64/890821964.db2.gz PXVPAZJHSHCARC-DTWKUNHWSA-N 1 2 297.319 -2.937 20 0 CAADLO Cn1cnnc1C[NH2+][C@H](CO)CNC(=O)Cc1ncc[nH]1 ZINC001425820096 890823845 /nfs/dbraw/zinc/82/38/45/890823845.db2.gz JIKMFVOMRDPEBF-VIFPVBQESA-N 1 2 293.331 -1.652 20 0 CAADLO Cc1nnsc1C[NH2+][C@@H](CO)CNC(=O)c1nnc[nH]1 ZINC001425820472 890824393 /nfs/dbraw/zinc/82/43/93/890824393.db2.gz UBWXHQYZBMAELY-SSDOTTSWSA-N 1 2 297.344 -1.155 20 0 CAADLO Cc1nnsc1C[NH2+][C@H](CO)CNC(=O)c1nnc[nH]1 ZINC001425820473 890824560 /nfs/dbraw/zinc/82/45/60/890824560.db2.gz UBWXHQYZBMAELY-ZETCQYMHSA-N 1 2 297.344 -1.155 20 0 CAADLO Cn1nnnc1C[NH2+][C@H](CO)CNC(=O)[C@H]1CC12CC2 ZINC001425820204 890826295 /nfs/dbraw/zinc/82/62/95/890826295.db2.gz IHNAEVGWWYIHGO-DTWKUNHWSA-N 1 2 280.332 -1.423 20 0 CAADLO Cn1nnnc1C[NH2+][C@H](CO)CNC(=O)c1nccs1 ZINC001425822699 890826399 /nfs/dbraw/zinc/82/63/99/890826399.db2.gz OIJIOXGBSIFPBB-ZETCQYMHSA-N 1 2 297.344 -1.453 20 0 CAADLO CNC(=O)C[NH2+][C@H](CO)CNC(=O)Cc1nnc[nH]1 ZINC001425830334 890827768 /nfs/dbraw/zinc/82/77/68/890827768.db2.gz LEFKOZJDVMYVSH-ZETCQYMHSA-N 1 2 270.293 -2.840 20 0 CAADLO O=C(C[NH2+][C@@H](CO)CNC(=O)Cc1nnc[nH]1)NC1CC1 ZINC001425835831 890827975 /nfs/dbraw/zinc/82/79/75/890827975.db2.gz SUNNZUDXBKMIAD-SECBINFHSA-N 1 2 296.331 -2.308 20 0 CAADLO Cn1nnnc1C[NH2+][C@H](CO)CNC(=O)[C@H]1CC12CCC2 ZINC001425829611 890829400 /nfs/dbraw/zinc/82/94/00/890829400.db2.gz UGDGSHURPBGIKQ-VHSXEESVSA-N 1 2 294.359 -1.033 20 0 CAADLO Cn1cnnc1C[NH2+][C@H](CO)CNC(=O)[C@]1(C)CCOC1 ZINC001425829807 890829499 /nfs/dbraw/zinc/82/94/99/890829499.db2.gz YMMRCOXTFKOSDU-GXFFZTMASA-N 1 2 297.359 -1.192 20 0 CAADLO Cc1conc1C[NH2+][C@H](CO)CNC(=O)Cc1nc[nH]n1 ZINC001425833476 890830776 /nfs/dbraw/zinc/83/07/76/890830776.db2.gz QVNLJMZXPXHGEA-VIFPVBQESA-N 1 2 294.315 -1.089 20 0 CAADLO Cn1ncc(C[NH2+][C@H](CO)CNC(=O)Cn2cncn2)n1 ZINC001425831992 890830809 /nfs/dbraw/zinc/83/08/09/890830809.db2.gz IVZBJWPFMYNRSN-JTQLQIEISA-N 1 2 294.319 -2.327 20 0 CAADLO Cn1ncnc1CN[C@H](CO)CNC(=O)Cn1cc[nH+]c1 ZINC001425851193 890832811 /nfs/dbraw/zinc/83/28/11/890832811.db2.gz SJOKKRACZMOKSY-JTQLQIEISA-N 1 2 293.331 -1.722 20 0 CAADLO Cn1ccc(C(=O)NC[C@@H](CO)[NH2+]Cc2nncn2C)n1 ZINC001425853190 890833149 /nfs/dbraw/zinc/83/31/49/890833149.db2.gz NISREGHVHFGSSY-VIFPVBQESA-N 1 2 293.331 -1.571 20 0 CAADLO CO[C@H](C)C(=O)NC[C@@H](O)CN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001425883121 890835777 /nfs/dbraw/zinc/83/57/77/890835777.db2.gz PUWMSOHUBZRWSN-MWLCHTKSSA-N 1 2 298.343 -1.077 20 0 CAADLO CO[C@H](C)C(=O)NC[C@H](O)CN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001425883112 890837305 /nfs/dbraw/zinc/83/73/05/890837305.db2.gz PUWMSOHUBZRWSN-KOLCDFICSA-N 1 2 298.343 -1.077 20 0 CAADLO COCC(=O)N(C)C[C@H](O)C[NH2+]Cc1nc(C)no1 ZINC001425968361 890837614 /nfs/dbraw/zinc/83/76/14/890837614.db2.gz FKQXXFKYQYZESA-SECBINFHSA-N 1 2 272.305 -1.067 20 0 CAADLO CN(C[C@H](O)C[NH2+]Cc1cnsn1)C(=O)c1nc[nH]n1 ZINC001426023571 890844570 /nfs/dbraw/zinc/84/45/70/890844570.db2.gz IZRXZCZNAUYOEG-MRVPVSSYSA-N 1 2 297.344 -1.121 20 0 CAADLO CCNC(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)c1ccn[nH]1 ZINC001426059486 890847370 /nfs/dbraw/zinc/84/73/70/890847370.db2.gz KIQHPGFMKSZJMF-SNVBAGLBSA-N 1 2 297.359 -1.090 20 0 CAADLO CCNC(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1ccn[nH]1 ZINC001426059486 890847383 /nfs/dbraw/zinc/84/73/83/890847383.db2.gz KIQHPGFMKSZJMF-SNVBAGLBSA-N 1 2 297.359 -1.090 20 0 CAADLO COCC[N@H+](CCNC(=O)c1csnn1)CC(N)=O ZINC001426165667 890851795 /nfs/dbraw/zinc/85/17/95/890851795.db2.gz FWVHRFYHYYIGLE-UHFFFAOYSA-N 1 2 287.345 -1.298 20 0 CAADLO COCC[N@@H+](CCNC(=O)c1csnn1)CC(N)=O ZINC001426165667 890851802 /nfs/dbraw/zinc/85/18/02/890851802.db2.gz FWVHRFYHYYIGLE-UHFFFAOYSA-N 1 2 287.345 -1.298 20 0 CAADLO COCC[N@H+](CCNC(=O)[C@@H]1CNC(=O)N1)CC(N)=O ZINC001426170362 890851859 /nfs/dbraw/zinc/85/18/59/890851859.db2.gz PMWQYGKWVGOTDJ-QMMMGPOBSA-N 1 2 287.320 -2.782 20 0 CAADLO COCC[N@@H+](CCNC(=O)[C@@H]1CNC(=O)N1)CC(N)=O ZINC001426170362 890851868 /nfs/dbraw/zinc/85/18/68/890851868.db2.gz PMWQYGKWVGOTDJ-QMMMGPOBSA-N 1 2 287.320 -2.782 20 0 CAADLO COCC[N@H+](CCNC(=O)c1ncccn1)CC(N)=O ZINC001426169481 890853119 /nfs/dbraw/zinc/85/31/19/890853119.db2.gz FAILCJBPOBATDE-UHFFFAOYSA-N 1 2 281.316 -1.360 20 0 CAADLO COCC[N@@H+](CCNC(=O)c1ncccn1)CC(N)=O ZINC001426169481 890853121 /nfs/dbraw/zinc/85/31/21/890853121.db2.gz FAILCJBPOBATDE-UHFFFAOYSA-N 1 2 281.316 -1.360 20 0 CAADLO COCC[N@H+](CCNC(=O)c1ccnn1C)[C@@H](C)C(N)=O ZINC001426152532 890853297 /nfs/dbraw/zinc/85/32/97/890853297.db2.gz AXDUXSNYKGPVPZ-JTQLQIEISA-N 1 2 297.359 -1.028 20 0 CAADLO COCC[N@@H+](CCNC(=O)c1ccnn1C)[C@@H](C)C(N)=O ZINC001426152532 890853302 /nfs/dbraw/zinc/85/33/02/890853302.db2.gz AXDUXSNYKGPVPZ-JTQLQIEISA-N 1 2 297.359 -1.028 20 0 CAADLO COCC(=O)N[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1O ZINC001426504993 890857589 /nfs/dbraw/zinc/85/75/89/890857589.db2.gz BHGJZMFNKDRYJT-RKDXNWHRSA-N 1 2 282.300 -1.714 20 0 CAADLO CO[C@H](C)C(=O)N[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1O ZINC001426524377 890859693 /nfs/dbraw/zinc/85/96/93/890859693.db2.gz NLRFRUWIWXGDKW-OPRDCNLKSA-N 1 2 296.327 -1.325 20 0 CAADLO CO[C@@H](C)C(=O)N[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1O ZINC001426524372 890861243 /nfs/dbraw/zinc/86/12/43/890861243.db2.gz NLRFRUWIWXGDKW-IVZWLZJFSA-N 1 2 296.327 -1.325 20 0 CAADLO CO[C@H](C)C(=O)N[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1O ZINC001426646643 890862807 /nfs/dbraw/zinc/86/28/07/890862807.db2.gz UMGQEGYZJUKCRP-IEBDPFPHSA-N 1 2 296.327 -1.325 20 0 CAADLO COCC(=O)N[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C[C@@H]1O ZINC001427078818 890868435 /nfs/dbraw/zinc/86/84/35/890868435.db2.gz AIAIVQVJYRLJGD-MNOVXSKESA-N 1 2 296.327 -1.393 20 0 CAADLO CO[C@H](C)C(=O)NC[C@H](CO)NC(=O)Cc1c[nH+]cn1C ZINC001427756549 890885118 /nfs/dbraw/zinc/88/51/18/890885118.db2.gz FEGHYTSZRNKDKM-NXEZZACHSA-N 1 2 298.343 -1.409 20 0 CAADLO CO[C@@H](C)C(=O)NC[C@@H](CO)NC(=O)Cc1c[nH+]cn1C ZINC001427756553 890886900 /nfs/dbraw/zinc/88/69/00/890886900.db2.gz FEGHYTSZRNKDKM-UWVGGRQHSA-N 1 2 298.343 -1.409 20 0 CAADLO COCC(=O)N[C@H](CO)CNC(=O)Cc1c[nH+]cn1C ZINC001427891355 890897054 /nfs/dbraw/zinc/89/70/54/890897054.db2.gz IECRAQGPGBHUOJ-VIFPVBQESA-N 1 2 284.316 -1.798 20 0 CAADLO CO[C@H](C)C(=O)N[C@@H](CO)CNC(=O)Cc1c[nH+]cn1C ZINC001427904774 890897901 /nfs/dbraw/zinc/89/79/01/890897901.db2.gz ZVKIEAGMCRBHCP-NXEZZACHSA-N 1 2 298.343 -1.409 20 0 CAADLO COCC(=O)N(C)C[C@H](O)CNC(=O)CCc1[nH]cc[nH+]1 ZINC001428140699 890907872 /nfs/dbraw/zinc/90/78/72/890907872.db2.gz DLWOMGUATKOQAC-SNVBAGLBSA-N 1 2 298.343 -1.076 20 0 CAADLO CO[C@H](C)C(=O)N(C)C[C@@H](O)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001428178439 890909045 /nfs/dbraw/zinc/90/90/45/890909045.db2.gz RHJHJVXXXYAJOB-KOLCDFICSA-N 1 2 298.343 -1.077 20 0 CAADLO CO[C@H](C)C(=O)N(C)C[C@H](O)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001428178444 890909133 /nfs/dbraw/zinc/90/91/33/890909133.db2.gz RHJHJVXXXYAJOB-MWLCHTKSSA-N 1 2 298.343 -1.077 20 0 CAADLO CO[C@@H](C)C(=O)N(C)C[C@@H](O)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001428178451 890909981 /nfs/dbraw/zinc/90/99/81/890909981.db2.gz RHJHJVXXXYAJOB-ONGXEEELSA-N 1 2 298.343 -1.077 20 0 CAADLO C[C@@H](CNC(=O)N[C@@H]1COC[C@H]1O)[NH+]1CCN(C)CC1 ZINC001428417994 890915741 /nfs/dbraw/zinc/91/57/41/890915741.db2.gz YLTBBPDFKCXEIX-QJPTWQEYSA-N 1 2 286.376 -1.319 20 0 CAADLO C[C@@H](CNC(=O)[C@H]1COC(=O)N1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001428593940 890917460 /nfs/dbraw/zinc/91/74/60/890917460.db2.gz DXNFCAMUUDDDNB-JGVFFNPUSA-N 1 2 295.299 -1.319 20 0 CAADLO C[C@H](CNC(=O)[C@H]1COC(=O)N1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001428593939 890918206 /nfs/dbraw/zinc/91/82/06/890918206.db2.gz DXNFCAMUUDDDNB-HTQZYQBOSA-N 1 2 295.299 -1.319 20 0 CAADLO C[C@@H](CNC(=O)[C@@H]1COC(=O)N1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001428593942 890918334 /nfs/dbraw/zinc/91/83/34/890918334.db2.gz DXNFCAMUUDDDNB-YUMQZZPRSA-N 1 2 295.299 -1.319 20 0 CAADLO C[C@H](CNC(=O)[C@@H]1COC(=O)N1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001428593941 890919004 /nfs/dbraw/zinc/91/90/04/890919004.db2.gz DXNFCAMUUDDDNB-SFYZADRCSA-N 1 2 295.299 -1.319 20 0 CAADLO CCOCC(=O)N1C[C@@H](O)[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001428817088 890927246 /nfs/dbraw/zinc/92/72/46/890927246.db2.gz MDHHATXFCVEIIE-GHMZBOCLSA-N 1 2 296.327 -1.323 20 0 CAADLO CC(=O)NCC(=O)N(C)CCNC(=O)CCn1cc[nH+]c1 ZINC001429395471 890939253 /nfs/dbraw/zinc/93/92/53/890939253.db2.gz OLCYVGWQNFDXFC-UHFFFAOYSA-N 1 2 295.343 -1.016 20 0 CAADLO CN(CCNC(=O)Cc1c[nH]c[nH+]1)C(=O)[C@H]1COC(=O)N1 ZINC001429519621 890941330 /nfs/dbraw/zinc/94/13/30/890941330.db2.gz OBHNPENWOJUAGI-SECBINFHSA-N 1 2 295.299 -1.365 20 0 CAADLO CCN(CCNC(=O)CNC(C)=O)C(=O)Cn1cc[nH+]c1 ZINC001429521759 890941638 /nfs/dbraw/zinc/94/16/38/890941638.db2.gz JEDXLWMZKZTNDJ-UHFFFAOYSA-N 1 2 295.343 -1.016 20 0 CAADLO CN(CCNC(=O)Cc1c[nH]c[nH+]1)C(=O)[C@@H]1COC(=O)N1 ZINC001429519624 890941794 /nfs/dbraw/zinc/94/17/94/890941794.db2.gz OBHNPENWOJUAGI-VIFPVBQESA-N 1 2 295.299 -1.365 20 0 CAADLO CC(=O)NCC(=O)N1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001429869271 890943136 /nfs/dbraw/zinc/94/31/36/890943136.db2.gz QYIVIZWFCPYMPJ-SNVBAGLBSA-N 1 2 293.327 -1.195 20 0 CAADLO CC(=O)NCC(=O)N[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001429810732 890944184 /nfs/dbraw/zinc/94/41/84/890944184.db2.gz PODXXNFOFNULMV-JTQLQIEISA-N 1 2 293.327 -1.195 20 0 CAADLO CC(=O)NCC(=O)N1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001429869266 890944526 /nfs/dbraw/zinc/94/45/26/890944526.db2.gz QYIVIZWFCPYMPJ-JTQLQIEISA-N 1 2 293.327 -1.195 20 0 CAADLO CC(=O)NCC(=O)NC1CN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001430138987 890946460 /nfs/dbraw/zinc/94/64/60/890946460.db2.gz QVDNDCRKZMFMNR-UHFFFAOYSA-N 1 2 293.327 -1.276 20 0 CAADLO CC(=O)N[C@@H](C)C(=O)NC1CN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001430145153 890946880 /nfs/dbraw/zinc/94/68/80/890946880.db2.gz RUQBYJSVLFLAJD-QMMMGPOBSA-N 1 2 293.327 -1.196 20 0 CAADLO COC(=O)NCC(=O)NC1CN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001430172592 890947344 /nfs/dbraw/zinc/94/73/44/890947344.db2.gz HZYIDTWEZGEQID-UHFFFAOYSA-N 1 2 295.299 -1.365 20 0 CAADLO COC[C@H](OC)C(=O)NC1CN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001430297752 890951318 /nfs/dbraw/zinc/95/13/18/890951318.db2.gz CULYUKFWFXDZMH-NSHDSACASA-N 1 2 296.327 -1.059 20 0 CAADLO CC(=O)NCC(=O)NC[C@@H](C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001430960897 890961669 /nfs/dbraw/zinc/96/16/69/890961669.db2.gz SAHYLRWDBJBRQD-VIFPVBQESA-N 1 2 295.343 -1.043 20 0 CAADLO CC(=O)NCC(=O)NC[C@H](C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001430961809 890962778 /nfs/dbraw/zinc/96/27/78/890962778.db2.gz TZTOMTPIQQRQGR-SECBINFHSA-N 1 2 295.343 -1.043 20 0 CAADLO CN(CCNC(=O)[C@@H]1COCCO1)C(=O)Cc1c[nH+]c[nH]1 ZINC001431138422 890964565 /nfs/dbraw/zinc/96/45/65/890964565.db2.gz ZEYXZAKZMMBLFL-NSHDSACASA-N 1 2 296.327 -1.058 20 0 CAADLO CN(CCNC(=O)Cc1c[nH+]cn1C)C(=O)c1nc[nH]n1 ZINC001431386237 890967861 /nfs/dbraw/zinc/96/78/61/890967861.db2.gz NWURIXQMTXHVIQ-UHFFFAOYSA-N 1 2 291.315 -1.031 20 0 CAADLO CN(CCNC(=O)Cc1[nH]cc[nH+]1)C(=O)CNC(N)=O ZINC001431480455 890975576 /nfs/dbraw/zinc/97/55/76/890975576.db2.gz XIOXJRQVCMTEEM-UHFFFAOYSA-N 1 2 282.304 -1.805 20 0 CAADLO CN(CCNC(=O)Cc1[nH]cc[nH+]1)C(=O)Cn1cncn1 ZINC001431480795 890976726 /nfs/dbraw/zinc/97/67/26/890976726.db2.gz YSSVIKIEFRMFLI-UHFFFAOYSA-N 1 2 291.315 -1.182 20 0 CAADLO CCO[C@H](C)C(=O)NC[C@@H](O)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001431496678 890978630 /nfs/dbraw/zinc/97/86/30/890978630.db2.gz MIGXKSSNTLULMX-KOLCDFICSA-N 1 2 298.343 -1.030 20 0 CAADLO O=C(Cn1cc[nH+]c1)NC[C@H](O)CNC(=O)c1cn[nH]c1 ZINC001431496690 890978807 /nfs/dbraw/zinc/97/88/07/890978807.db2.gz SNQNZQQDROYDCM-JTQLQIEISA-N 1 2 292.299 -1.487 20 0 CAADLO CO[C@H](C)CC(=O)NC[C@@H](O)CNC(=O)Cn1cc[nH+]c1 ZINC001431495058 890979083 /nfs/dbraw/zinc/97/90/83/890979083.db2.gz MVPXGZUVNOJOKK-GHMZBOCLSA-N 1 2 298.343 -1.099 20 0 CAADLO CC(C)OCC(=O)NC[C@H](O)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001431505588 890979126 /nfs/dbraw/zinc/97/91/26/890979126.db2.gz MOOFHZNDLUKPIG-SNVBAGLBSA-N 1 2 298.343 -1.030 20 0 CAADLO CCO[C@H](C)C(=O)NC[C@H](O)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001431496727 890979426 /nfs/dbraw/zinc/97/94/26/890979426.db2.gz MIGXKSSNTLULMX-MWLCHTKSSA-N 1 2 298.343 -1.030 20 0 CAADLO CO[C@H](C)CC(=O)NC[C@H](O)CNC(=O)Cn1cc[nH+]c1 ZINC001431495062 890979739 /nfs/dbraw/zinc/97/97/39/890979739.db2.gz MVPXGZUVNOJOKK-MNOVXSKESA-N 1 2 298.343 -1.099 20 0 CAADLO CN(CCNC(=O)Cc1c[nH]c[nH+]1)C(=O)[C@H]1CNC(=O)N1 ZINC001431546949 890983080 /nfs/dbraw/zinc/98/30/80/890983080.db2.gz CQXMPNORWDNQPQ-SECBINFHSA-N 1 2 294.315 -1.792 20 0 CAADLO O=C(Cc1c[nH]c[nH+]1)NC[C@H](O)CNC(=O)c1ncc[nH]1 ZINC001431550082 890983311 /nfs/dbraw/zinc/98/33/11/890983311.db2.gz UBTJYZWXWFHCNI-VIFPVBQESA-N 1 2 292.299 -1.418 20 0 CAADLO CC(C)[C@@H](O)C(=O)NC[C@@H](O)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001431528229 890983530 /nfs/dbraw/zinc/98/35/30/890983530.db2.gz FREZROHIGPLEGB-JOYOIKCWSA-N 1 2 298.343 -1.438 20 0 CAADLO C[C@H](CNC(=O)[C@H]1C[C@H]1C(N)=O)NC(=O)Cc1c[nH]c[nH+]1 ZINC001431749285 890987968 /nfs/dbraw/zinc/98/79/68/890987968.db2.gz AESLZYBQMKZTBZ-QNSHHTMESA-N 1 2 293.327 -1.306 20 0 CAADLO CC(=O)NCC(=O)N1CC[C@@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001432049552 890995048 /nfs/dbraw/zinc/99/50/48/890995048.db2.gz PSLOYVRMFGHAOQ-LLVKDONJSA-N 1 2 293.327 -1.264 20 0 CAADLO CC(=O)NCC(=O)NC1(CNC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001432323993 891003458 /nfs/dbraw/zinc/00/34/58/891003458.db2.gz NFMGPXBESHBYMV-UHFFFAOYSA-N 1 2 293.327 -1.147 20 0 CAADLO CCO[C@H](C)C(=O)NC[C@@H](O)CNC(=O)Cn1cc[nH+]c1 ZINC001433240340 891021485 /nfs/dbraw/zinc/02/14/85/891021485.db2.gz FLGAVCSZWQKZKF-MNOVXSKESA-N 1 2 298.343 -1.099 20 0 CAADLO CC(C)[C@@H](O)C(=O)NC[C@@H](O)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001433281388 891022709 /nfs/dbraw/zinc/02/27/09/891022709.db2.gz NDDBPDHBWLDRES-CMPLNLGQSA-N 1 2 298.343 -1.438 20 0 CAADLO CO[C@@H](C)C(=O)NC[C@@H](O)CNC(=O)Cc1[nH]c[nH+]c1C ZINC001433263299 891023779 /nfs/dbraw/zinc/02/37/79/891023779.db2.gz ZWTFKSYYSBOJRS-UWVGGRQHSA-N 1 2 298.343 -1.111 20 0 CAADLO CO[C@H](C)C(=O)NC[C@@H](O)CNC(=O)Cc1[nH]c[nH+]c1C ZINC001433263307 891023985 /nfs/dbraw/zinc/02/39/85/891023985.db2.gz ZWTFKSYYSBOJRS-ZJUUUORDSA-N 1 2 298.343 -1.111 20 0 CAADLO CO[C@H](C)C(=O)NC[C@@H](O)CNC(=O)CCc1c[nH]c[nH+]1 ZINC001433256757 891024145 /nfs/dbraw/zinc/02/41/45/891024145.db2.gz NGZYQRQBDHFHKP-KOLCDFICSA-N 1 2 298.343 -1.030 20 0 CAADLO CO[C@H](C)C(=O)NC[C@@H](O)CNC(=O)CCc1c[nH+]c[nH]1 ZINC001433256757 891024157 /nfs/dbraw/zinc/02/41/57/891024157.db2.gz NGZYQRQBDHFHKP-KOLCDFICSA-N 1 2 298.343 -1.030 20 0 CAADLO O=C(Cc1c[nH]c[nH+]1)NC[C@@H](O)CNC(=O)c1cnco1 ZINC001433323815 891026017 /nfs/dbraw/zinc/02/60/17/891026017.db2.gz RRDPGZSESVMTNA-SECBINFHSA-N 1 2 293.283 -1.153 20 0 CAADLO O=C(Cn1cc[nH+]c1)NC[C@H](O)CNC(=O)c1cnon1 ZINC001433306016 891027784 /nfs/dbraw/zinc/02/77/84/891027784.db2.gz CKBLDVKBUNYSMA-QMMMGPOBSA-N 1 2 294.271 -1.827 20 0 CAADLO C[C@@H](CNC(=O)[C@H]1CNC(=O)N1)NC(=O)Cn1cc[nH+]c1 ZINC001433563799 891035883 /nfs/dbraw/zinc/03/58/83/891035883.db2.gz NKOFWHPZOGUNKU-DTWKUNHWSA-N 1 2 294.315 -1.815 20 0 CAADLO O=C(NCCn1cc[nH+]c1)C1=NN(CCO)C(=O)CC1 ZINC001433609060 891037637 /nfs/dbraw/zinc/03/76/37/891037637.db2.gz HOQYOSAJTZONKE-UHFFFAOYSA-N 1 2 279.300 -1.030 20 0 CAADLO C[N@H+](CC(=O)NCCS(C)(=O)=O)[C@@H]1CCC[C@H]1O ZINC001433620580 891040122 /nfs/dbraw/zinc/04/01/22/891040122.db2.gz WGBMYNORGTUONZ-NXEZZACHSA-N 1 2 278.374 -1.008 20 0 CAADLO C[N@@H+](CC(=O)NCCS(C)(=O)=O)[C@@H]1CCC[C@H]1O ZINC001433620580 891040130 /nfs/dbraw/zinc/04/01/30/891040130.db2.gz WGBMYNORGTUONZ-NXEZZACHSA-N 1 2 278.374 -1.008 20 0 CAADLO C[C@H]1C[N@H+](CCNC(=O)CCCS(N)(=O)=O)CCO1 ZINC001433634336 891041342 /nfs/dbraw/zinc/04/13/42/891041342.db2.gz UYGUVRBWGVSBEN-JTQLQIEISA-N 1 2 293.389 -1.108 20 0 CAADLO C[C@H]1C[N@@H+](CCNC(=O)CCCS(N)(=O)=O)CCO1 ZINC001433634336 891041355 /nfs/dbraw/zinc/04/13/55/891041355.db2.gz UYGUVRBWGVSBEN-JTQLQIEISA-N 1 2 293.389 -1.108 20 0 CAADLO C[C@@H]1OC(=O)N[C@@H]1C(=O)N[C@H]1CCC[N@H+](CC(N)=O)C1 ZINC001433662898 891043197 /nfs/dbraw/zinc/04/31/97/891043197.db2.gz CBDGYOHEUMEKMQ-NRPADANISA-N 1 2 284.316 -1.451 20 0 CAADLO C[C@@H]1OC(=O)N[C@@H]1C(=O)N[C@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001433662898 891043208 /nfs/dbraw/zinc/04/32/08/891043208.db2.gz CBDGYOHEUMEKMQ-NRPADANISA-N 1 2 284.316 -1.451 20 0 CAADLO C[C@@H]1CN(C(=O)c2c[nH]nc2S(N)(=O)=O)CC[N@@H+]1C ZINC001433701072 891047468 /nfs/dbraw/zinc/04/74/68/891047468.db2.gz NQEFPGIXZJELBG-SSDOTTSWSA-N 1 2 287.345 -1.167 20 0 CAADLO C[C@@H]1CN(C(=O)c2c[nH]nc2S(N)(=O)=O)CC[N@H+]1C ZINC001433701072 891047476 /nfs/dbraw/zinc/04/74/76/891047476.db2.gz NQEFPGIXZJELBG-SSDOTTSWSA-N 1 2 287.345 -1.167 20 0 CAADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)c1ncn(C)n1 ZINC001433778554 891053220 /nfs/dbraw/zinc/05/32/20/891053220.db2.gz QMCMEMGAAFYWPI-JTQLQIEISA-N 1 2 283.332 -1.420 20 0 CAADLO CCC[N@H+](C)CC(=O)NC[C@]1(O)CCS(=O)(=O)C1 ZINC001433991743 891068953 /nfs/dbraw/zinc/06/89/53/891068953.db2.gz JZCFZPJLLNEOPR-LLVKDONJSA-N 1 2 278.374 -1.006 20 0 CAADLO CCC[N@@H+](C)CC(=O)NC[C@]1(O)CCS(=O)(=O)C1 ZINC001433991743 891068962 /nfs/dbraw/zinc/06/89/62/891068962.db2.gz JZCFZPJLLNEOPR-LLVKDONJSA-N 1 2 278.374 -1.006 20 0 CAADLO O=C(CC1CS(=O)(=O)C1)NCC[NH+]1CCC(O)CC1 ZINC001433991967 891069223 /nfs/dbraw/zinc/06/92/23/891069223.db2.gz KICXHARMPAHHSX-UHFFFAOYSA-N 1 2 290.385 -1.006 20 0 CAADLO CC(=O)NCC(=O)N(C)C1CN(C(=O)Cn2cc[nH+]c2)C1 ZINC001434033812 891071966 /nfs/dbraw/zinc/07/19/66/891071966.db2.gz LRTOGOAVPPITPP-UHFFFAOYSA-N 1 2 293.327 -1.312 20 0 CAADLO CC(=O)NCC(=O)NCC(=O)N[C@H]1CCn2c[nH+]cc21 ZINC001434225906 891090399 /nfs/dbraw/zinc/09/03/99/891090399.db2.gz RSJHFRYODCRKCP-VIFPVBQESA-N 1 2 279.300 -1.304 20 0 CAADLO NS(=O)(=O)NC1CN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001434239147 891092566 /nfs/dbraw/zinc/09/25/66/891092566.db2.gz JDHKCMPKOANBGT-MRVPVSSYSA-N 1 2 299.356 -1.551 20 0 CAADLO NS(=O)(=O)NC1CN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001434239152 891092942 /nfs/dbraw/zinc/09/29/42/891092942.db2.gz JDHKCMPKOANBGT-QMMMGPOBSA-N 1 2 299.356 -1.551 20 0 CAADLO O=C(NCC[N@H+]1CC[C@@H](O)C1)[C@H]1CCS(=O)(=O)C1 ZINC001434276490 891095762 /nfs/dbraw/zinc/09/57/62/891095762.db2.gz OJQURZJDOQLFIL-VHSXEESVSA-N 1 2 276.358 -1.396 20 0 CAADLO O=C(NCC[N@@H+]1CC[C@@H](O)C1)[C@H]1CCS(=O)(=O)C1 ZINC001434276490 891095773 /nfs/dbraw/zinc/09/57/73/891095773.db2.gz OJQURZJDOQLFIL-VHSXEESVSA-N 1 2 276.358 -1.396 20 0 CAADLO O=C(N[C@H](CO)Cc1c[nH]c[nH+]1)c1cnn(CCO)c1 ZINC001434301692 891099011 /nfs/dbraw/zinc/09/90/11/891099011.db2.gz PIBPYNGUAYEPAB-NSHDSACASA-N 1 2 279.300 -1.068 20 0 CAADLO O=C(N[C@H](CO)Cc1c[nH+]c[nH]1)c1cnn(CCO)c1 ZINC001434301692 891099020 /nfs/dbraw/zinc/09/90/20/891099020.db2.gz PIBPYNGUAYEPAB-NSHDSACASA-N 1 2 279.300 -1.068 20 0 CAADLO O=C(Cc1c[nH+]c[nH]1)N1CCS(=O)(=O)C[C@@H]1CCO ZINC001434373613 891109139 /nfs/dbraw/zinc/10/91/39/891109139.db2.gz SCUOAKLPTCVIME-JTQLQIEISA-N 1 2 287.341 -1.040 20 0 CAADLO CNC(=O)C[N@@H+]1CCCN(C(=O)[C@H]2CCC(=O)O2)CC1 ZINC001434377430 891109586 /nfs/dbraw/zinc/10/95/86/891109586.db2.gz WGFYVPKNEXEECM-SNVBAGLBSA-N 1 2 283.328 -1.028 20 0 CAADLO CNC(=O)C[N@H+]1CCCN(C(=O)[C@H]2CCC(=O)O2)CC1 ZINC001434377430 891109590 /nfs/dbraw/zinc/10/95/90/891109590.db2.gz WGFYVPKNEXEECM-SNVBAGLBSA-N 1 2 283.328 -1.028 20 0 CAADLO CC[C@H](C[NH+]1CCOCC1)NC(=O)[C@H](CO)NC(N)=O ZINC001434370618 891109626 /nfs/dbraw/zinc/10/96/26/891109626.db2.gz NKMVATJJWNPDMM-ZJUUUORDSA-N 1 2 288.348 -1.757 20 0 CAADLO COC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)c1nnn(C)n1 ZINC001434387524 891111550 /nfs/dbraw/zinc/11/15/50/891111550.db2.gz SZNCMLXLWQGOJZ-SSDOTTSWSA-N 1 2 279.260 -1.553 20 0 CAADLO COC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)c1nnn(C)n1 ZINC001434387524 891111552 /nfs/dbraw/zinc/11/15/52/891111552.db2.gz SZNCMLXLWQGOJZ-SSDOTTSWSA-N 1 2 279.260 -1.553 20 0 CAADLO COC(=O)[C@@H](Cn1cncn1)NC(=O)Cn1cc[nH+]c1 ZINC001434393870 891111580 /nfs/dbraw/zinc/11/15/80/891111580.db2.gz LJVOCQVQPIKGAG-SECBINFHSA-N 1 2 278.272 -1.167 20 0 CAADLO CNC(=O)CC[N@H+](C)Cc1cc(=O)n2[nH]c(N)nc2n1 ZINC001434459101 891118822 /nfs/dbraw/zinc/11/88/22/891118822.db2.gz INHPPGVHYNMUBD-UHFFFAOYSA-N 1 2 279.304 -1.432 20 0 CAADLO CNC(=O)CC[N@@H+](C)Cc1cc(=O)n2[nH]c(N)nc2n1 ZINC001434459101 891118831 /nfs/dbraw/zinc/11/88/31/891118831.db2.gz INHPPGVHYNMUBD-UHFFFAOYSA-N 1 2 279.304 -1.432 20 0 CAADLO CCOc1nnc(C[NH+]2C[C@@H](C(N)=O)[C@H](C(N)=O)C2)s1 ZINC001434482273 891120435 /nfs/dbraw/zinc/12/04/35/891120435.db2.gz IUVHBVNBYWVUFX-RNFRBKRXSA-N 1 2 299.356 -1.045 20 0 CAADLO CO[C@@H]1COC[C@@H]1[NH2+]Cc1nnc2c(=O)n(C)ccn12 ZINC001434472087 891120956 /nfs/dbraw/zinc/12/09/56/891120956.db2.gz HPWUCKPKZKCWFM-DTWKUNHWSA-N 1 2 279.300 -1.069 20 0 CAADLO CC(C)(C)NC(=O)CNC(=O)C[N@@H+]1C[C@@H](O)[C@H](CO)C1 ZINC001434473215 891121530 /nfs/dbraw/zinc/12/15/30/891121530.db2.gz QGSCCFGNFMSPEC-VHSXEESVSA-N 1 2 287.360 -1.698 20 0 CAADLO CC(C)(C)NC(=O)CNC(=O)C[N@H+]1C[C@@H](O)[C@H](CO)C1 ZINC001434473215 891121540 /nfs/dbraw/zinc/12/15/40/891121540.db2.gz QGSCCFGNFMSPEC-VHSXEESVSA-N 1 2 287.360 -1.698 20 0 CAADLO Cn1ccn2c(C[N@@H+]3C[C@H](CO)[C@H](CO)C3)nnc2c1=O ZINC001434483302 891124189 /nfs/dbraw/zinc/12/41/89/891124189.db2.gz NXGFQVPWFGCVSL-AOOOYVTPSA-N 1 2 293.327 -1.539 20 0 CAADLO Cn1ccn2c(C[N@H+]3C[C@H](CO)[C@H](CO)C3)nnc2c1=O ZINC001434483302 891124199 /nfs/dbraw/zinc/12/41/99/891124199.db2.gz NXGFQVPWFGCVSL-AOOOYVTPSA-N 1 2 293.327 -1.539 20 0 CAADLO CON1CC[C@H]([N@@H+]2CCN3CCOC[C@@]3(CO)C2)C1=O ZINC001434492769 891124419 /nfs/dbraw/zinc/12/44/19/891124419.db2.gz RHKFWRJDNMIBMW-AAEUAGOBSA-N 1 2 285.344 -1.472 20 0 CAADLO CON1CC[C@H]([N@H+]2CCN3CCOC[C@@]3(CO)C2)C1=O ZINC001434492769 891124427 /nfs/dbraw/zinc/12/44/27/891124427.db2.gz RHKFWRJDNMIBMW-AAEUAGOBSA-N 1 2 285.344 -1.472 20 0 CAADLO CON1CC[C@@H]([N@@H+]2CCN3CCOC[C@@]3(CO)C2)C1=O ZINC001434492772 891124583 /nfs/dbraw/zinc/12/45/83/891124583.db2.gz RHKFWRJDNMIBMW-YPMHNXCESA-N 1 2 285.344 -1.472 20 0 CAADLO CON1CC[C@@H]([N@H+]2CCN3CCOC[C@@]3(CO)C2)C1=O ZINC001434492772 891124592 /nfs/dbraw/zinc/12/45/92/891124592.db2.gz RHKFWRJDNMIBMW-YPMHNXCESA-N 1 2 285.344 -1.472 20 0 CAADLO NC(=O)Cn1cc(C[NH2+]CC(=O)N2CCOCC2)nn1 ZINC001434506216 891125050 /nfs/dbraw/zinc/12/50/50/891125050.db2.gz LVGXMJUKNKDHMF-UHFFFAOYSA-N 1 2 282.304 -2.288 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CC[C@H]1CN(C)C(=O)Cn1cncn1 ZINC001436331825 891148384 /nfs/dbraw/zinc/14/83/84/891148384.db2.gz OXKYCQVDPHNTFZ-UWVGGRQHSA-N 1 2 280.332 -1.315 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CC[C@H]1CN(C)C(=O)Cn1cncn1 ZINC001436331825 891148389 /nfs/dbraw/zinc/14/83/89/891148389.db2.gz OXKYCQVDPHNTFZ-UWVGGRQHSA-N 1 2 280.332 -1.315 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CC[C@H]1CN(C)C(=O)Cn1cncn1 ZINC001436331829 891148782 /nfs/dbraw/zinc/14/87/82/891148782.db2.gz OXKYCQVDPHNTFZ-ZJUUUORDSA-N 1 2 280.332 -1.315 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CC[C@H]1CN(C)C(=O)Cn1cncn1 ZINC001436331829 891148785 /nfs/dbraw/zinc/14/87/85/891148785.db2.gz OXKYCQVDPHNTFZ-ZJUUUORDSA-N 1 2 280.332 -1.315 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@@H](NC(=O)CCn2cncn2)C1 ZINC001436679819 891153640 /nfs/dbraw/zinc/15/36/40/891153640.db2.gz DORVFFCCFXWPOT-SNVBAGLBSA-N 1 2 280.332 -1.266 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@@H](NC(=O)CCn2cncn2)C1 ZINC001436679819 891153651 /nfs/dbraw/zinc/15/36/51/891153651.db2.gz DORVFFCCFXWPOT-SNVBAGLBSA-N 1 2 280.332 -1.266 20 0 CAADLO Cn1nnc(C(=O)NCCN2CC[NH+](CCF)CC2)n1 ZINC001436702920 891153800 /nfs/dbraw/zinc/15/38/00/891153800.db2.gz FZWJFOUGKNPLNH-UHFFFAOYSA-N 1 2 285.327 -1.473 20 0 CAADLO O=C(NCCN1CC[NH+]([C@@H]2CCNC2=O)CC1)C(F)F ZINC001436700527 891154725 /nfs/dbraw/zinc/15/47/25/891154725.db2.gz VWZLFLWISRESNW-SECBINFHSA-N 1 2 290.314 -1.126 20 0 CAADLO NC(=O)CN1CC[NH+](CCNC(=O)Cc2ccc[nH]2)CC1 ZINC001436717519 891154772 /nfs/dbraw/zinc/15/47/72/891154772.db2.gz BXYJJJPMBCBYTC-UHFFFAOYSA-N 1 2 293.371 -1.224 20 0 CAADLO CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2COC(=O)N2)C1 ZINC001436734756 891156616 /nfs/dbraw/zinc/15/66/16/891156616.db2.gz VXXPOKDSCGBDMU-IUCAKERBSA-N 1 2 284.316 -1.579 20 0 CAADLO CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H]2COC(=O)N2)C1 ZINC001436734755 891156871 /nfs/dbraw/zinc/15/68/71/891156871.db2.gz VXXPOKDSCGBDMU-DTWKUNHWSA-N 1 2 284.316 -1.579 20 0 CAADLO CCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@H]2COC(=O)N2)C1 ZINC001436734755 891156877 /nfs/dbraw/zinc/15/68/77/891156877.db2.gz VXXPOKDSCGBDMU-DTWKUNHWSA-N 1 2 284.316 -1.579 20 0 CAADLO CNC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)Cc2ncn[nH]2)C1 ZINC001436877336 891157245 /nfs/dbraw/zinc/15/72/45/891157245.db2.gz MRJFMIOLQYPEOF-BDAKNGLRSA-N 1 2 280.332 -1.328 20 0 CAADLO C[C@@H](CNC(=O)[C@H]1CCOC1)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001437114033 891162514 /nfs/dbraw/zinc/16/25/14/891162514.db2.gz OJWKOEMHKWSPGH-IUCAKERBSA-N 1 2 283.332 -1.261 20 0 CAADLO C[C@H](CNC(=O)[C@H]1CCOC1)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001437114026 891162704 /nfs/dbraw/zinc/16/27/04/891162704.db2.gz OJWKOEMHKWSPGH-BDAKNGLRSA-N 1 2 283.332 -1.261 20 0 CAADLO C[C@@H](CNC(=O)c1cnnn1C)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001437126944 891164653 /nfs/dbraw/zinc/16/46/53/891164653.db2.gz PYTUBCZQQWYIJI-ZETCQYMHSA-N 1 2 294.319 -1.855 20 0 CAADLO C[C@H](CNC(=O)c1cnnn1C)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001437126943 891165545 /nfs/dbraw/zinc/16/55/45/891165545.db2.gz PYTUBCZQQWYIJI-SSDOTTSWSA-N 1 2 294.319 -1.855 20 0 CAADLO CCNC(=O)C[N@H+](C)CCNC(=O)[C@@H]1COC(=O)N1 ZINC001437462396 891176001 /nfs/dbraw/zinc/17/60/01/891176001.db2.gz XRKHMDGTIHMLHM-QMMMGPOBSA-N 1 2 272.305 -1.721 20 0 CAADLO CCNC(=O)C[N@@H+](C)CCNC(=O)[C@@H]1COC(=O)N1 ZINC001437462396 891176010 /nfs/dbraw/zinc/17/60/10/891176010.db2.gz XRKHMDGTIHMLHM-QMMMGPOBSA-N 1 2 272.305 -1.721 20 0 CAADLO C[N@H+](CCNC(=O)[C@H]1CCOC1)CC(=O)N1CCOCC1 ZINC001437448986 891176094 /nfs/dbraw/zinc/17/60/94/891176094.db2.gz TVDCXXLEQAINLV-LBPRGKRZSA-N 1 2 299.371 -1.070 20 0 CAADLO C[N@@H+](CCNC(=O)[C@H]1CCOC1)CC(=O)N1CCOCC1 ZINC001437448986 891176099 /nfs/dbraw/zinc/17/60/99/891176099.db2.gz TVDCXXLEQAINLV-LBPRGKRZSA-N 1 2 299.371 -1.070 20 0 CAADLO CNC(=O)C[N@H+](C)CCNC(=O)CC1OCCCO1 ZINC001437455983 891176128 /nfs/dbraw/zinc/17/61/28/891176128.db2.gz VFUMUJDWKJZJSD-UHFFFAOYSA-N 1 2 273.333 -1.067 20 0 CAADLO CNC(=O)C[N@@H+](C)CCNC(=O)CC1OCCCO1 ZINC001437455983 891176135 /nfs/dbraw/zinc/17/61/35/891176135.db2.gz VFUMUJDWKJZJSD-UHFFFAOYSA-N 1 2 273.333 -1.067 20 0 CAADLO CCNC(=O)C[N@H+](C)CCNC(=O)[C@H]1COC(=O)N1 ZINC001437462394 891176226 /nfs/dbraw/zinc/17/62/26/891176226.db2.gz XRKHMDGTIHMLHM-MRVPVSSYSA-N 1 2 272.305 -1.721 20 0 CAADLO CCNC(=O)C[N@@H+](C)CCNC(=O)[C@H]1COC(=O)N1 ZINC001437462394 891176232 /nfs/dbraw/zinc/17/62/32/891176232.db2.gz XRKHMDGTIHMLHM-MRVPVSSYSA-N 1 2 272.305 -1.721 20 0 CAADLO COCC(=O)NCC[N@H+](C)CC(=O)N1CCOCC1 ZINC001437432924 891176773 /nfs/dbraw/zinc/17/67/73/891176773.db2.gz XQIKFQGBUBKEQM-UHFFFAOYSA-N 1 2 273.333 -1.460 20 0 CAADLO COCC(=O)NCC[N@@H+](C)CC(=O)N1CCOCC1 ZINC001437432924 891176777 /nfs/dbraw/zinc/17/67/77/891176777.db2.gz XQIKFQGBUBKEQM-UHFFFAOYSA-N 1 2 273.333 -1.460 20 0 CAADLO CCCNC(=O)C[N@H+](C)CCNC(=O)CNC(=O)OC ZINC001437436901 891176793 /nfs/dbraw/zinc/17/67/93/891176793.db2.gz ZYQNVYRZIGSMQV-UHFFFAOYSA-N 1 2 288.348 -1.083 20 0 CAADLO CCCNC(=O)C[N@@H+](C)CCNC(=O)CNC(=O)OC ZINC001437436901 891176804 /nfs/dbraw/zinc/17/68/04/891176804.db2.gz ZYQNVYRZIGSMQV-UHFFFAOYSA-N 1 2 288.348 -1.083 20 0 CAADLO C[N@H+](CCNC(=O)CN1CCOCC1)CC(=O)NC1CC1 ZINC001437461458 891177512 /nfs/dbraw/zinc/17/75/12/891177512.db2.gz XRWFKAXYMIWXII-UHFFFAOYSA-N 1 2 298.387 -1.355 20 0 CAADLO C[N@@H+](CCNC(=O)CN1CCOCC1)CC(=O)NC1CC1 ZINC001437461458 891177521 /nfs/dbraw/zinc/17/75/21/891177521.db2.gz XRWFKAXYMIWXII-UHFFFAOYSA-N 1 2 298.387 -1.355 20 0 CAADLO C[N@H+](CCNC(=O)[C@H]1CCNC(=O)C1)CC(=O)N1CCC1 ZINC001437459980 891178154 /nfs/dbraw/zinc/17/81/54/891178154.db2.gz UBEZKTBDGNGHGZ-NSHDSACASA-N 1 2 296.371 -1.207 20 0 CAADLO C[N@@H+](CCNC(=O)[C@H]1CCNC(=O)C1)CC(=O)N1CCC1 ZINC001437459980 891178163 /nfs/dbraw/zinc/17/81/63/891178163.db2.gz UBEZKTBDGNGHGZ-NSHDSACASA-N 1 2 296.371 -1.207 20 0 CAADLO CNC(=O)C[N@H+](C)CCNC(=O)[C@H]1CCC(=O)NC1 ZINC001437482802 891179851 /nfs/dbraw/zinc/17/98/51/891179851.db2.gz LKXABUIFUOTASW-VIFPVBQESA-N 1 2 270.333 -1.693 20 0 CAADLO CNC(=O)C[N@@H+](C)CCNC(=O)[C@H]1CCC(=O)NC1 ZINC001437482802 891179855 /nfs/dbraw/zinc/17/98/55/891179855.db2.gz LKXABUIFUOTASW-VIFPVBQESA-N 1 2 270.333 -1.693 20 0 CAADLO CCNC(=O)C[N@H+](C)CCNC(=O)[C@@H]1CCC(=O)N1C ZINC001437499870 891180297 /nfs/dbraw/zinc/18/02/97/891180297.db2.gz AFIMIWYXTZVCKK-JTQLQIEISA-N 1 2 284.360 -1.209 20 0 CAADLO CCNC(=O)C[N@@H+](C)CCNC(=O)[C@@H]1CCC(=O)N1C ZINC001437499870 891180306 /nfs/dbraw/zinc/18/03/06/891180306.db2.gz AFIMIWYXTZVCKK-JTQLQIEISA-N 1 2 284.360 -1.209 20 0 CAADLO CN(C)C(=O)C[N@H+](C)CCNC(=O)[C@@H]1CC[C@H]1C(N)=O ZINC001437512192 891180465 /nfs/dbraw/zinc/18/04/65/891180465.db2.gz ULFJCZNQJVMPQY-NXEZZACHSA-N 1 2 284.360 -1.366 20 0 CAADLO CN(C)C(=O)C[N@@H+](C)CCNC(=O)[C@@H]1CC[C@H]1C(N)=O ZINC001437512192 891180469 /nfs/dbraw/zinc/18/04/69/891180469.db2.gz ULFJCZNQJVMPQY-NXEZZACHSA-N 1 2 284.360 -1.366 20 0 CAADLO CNC(=O)C[N@H+](C)CCNC(=O)c1cc2n(n1)CCO2 ZINC001437471633 891180556 /nfs/dbraw/zinc/18/05/56/891180556.db2.gz MBAGHGZSLAHFQW-UHFFFAOYSA-N 1 2 281.316 -1.317 20 0 CAADLO CNC(=O)C[N@@H+](C)CCNC(=O)c1cc2n(n1)CCO2 ZINC001437471633 891180562 /nfs/dbraw/zinc/18/05/62/891180562.db2.gz MBAGHGZSLAHFQW-UHFFFAOYSA-N 1 2 281.316 -1.317 20 0 CAADLO C[N@H+](CCNC(=O)[C@H]1CNC(=O)N1)CC(=O)N1CCC1 ZINC001437513101 891180854 /nfs/dbraw/zinc/18/08/54/891180854.db2.gz TVKLSJRBWFIVEX-SECBINFHSA-N 1 2 283.332 -2.052 20 0 CAADLO C[N@@H+](CCNC(=O)[C@H]1CNC(=O)N1)CC(=O)N1CCC1 ZINC001437513101 891180859 /nfs/dbraw/zinc/18/08/59/891180859.db2.gz TVKLSJRBWFIVEX-SECBINFHSA-N 1 2 283.332 -2.052 20 0 CAADLO COC[C@@H](OC)C(=O)NCC[N@H+](C)CC(=O)N(C)C ZINC001437513977 891181158 /nfs/dbraw/zinc/18/11/58/891181158.db2.gz DTAXFQHHBITUEF-SNVBAGLBSA-N 1 2 275.349 -1.216 20 0 CAADLO COC[C@@H](OC)C(=O)NCC[N@@H+](C)CC(=O)N(C)C ZINC001437513977 891181163 /nfs/dbraw/zinc/18/11/63/891181163.db2.gz DTAXFQHHBITUEF-SNVBAGLBSA-N 1 2 275.349 -1.216 20 0 CAADLO CCNC(=O)C[N@H+](C)CCNC(=O)C[C@H]1CCNC1=O ZINC001437474801 891181546 /nfs/dbraw/zinc/18/15/46/891181546.db2.gz CEMDDXGSTUBDNK-SNVBAGLBSA-N 1 2 284.360 -1.303 20 0 CAADLO CCNC(=O)C[N@@H+](C)CCNC(=O)C[C@H]1CCNC1=O ZINC001437474801 891181549 /nfs/dbraw/zinc/18/15/49/891181549.db2.gz CEMDDXGSTUBDNK-SNVBAGLBSA-N 1 2 284.360 -1.303 20 0 CAADLO C[N@H+](CCNC(=O)[C@@H]1CNC(=O)N1)CC(=O)N1CCC1 ZINC001437513219 891181761 /nfs/dbraw/zinc/18/17/61/891181761.db2.gz TVKLSJRBWFIVEX-VIFPVBQESA-N 1 2 283.332 -2.052 20 0 CAADLO C[N@@H+](CCNC(=O)[C@@H]1CNC(=O)N1)CC(=O)N1CCC1 ZINC001437513219 891181767 /nfs/dbraw/zinc/18/17/67/891181767.db2.gz TVKLSJRBWFIVEX-VIFPVBQESA-N 1 2 283.332 -2.052 20 0 CAADLO CO[C@@H](C(=O)NCC[N@H+](C)CC(N)=O)[C@H]1CCOC1 ZINC001437497567 891182217 /nfs/dbraw/zinc/18/22/17/891182217.db2.gz DCOUHKSKGWDDJZ-GXSJLCMTSA-N 1 2 273.333 -1.429 20 0 CAADLO CO[C@@H](C(=O)NCC[N@@H+](C)CC(N)=O)[C@H]1CCOC1 ZINC001437497567 891182225 /nfs/dbraw/zinc/18/22/25/891182225.db2.gz DCOUHKSKGWDDJZ-GXSJLCMTSA-N 1 2 273.333 -1.429 20 0 CAADLO Cn1[nH]c(C[N@H+](C)CCNC(=O)c2ccnnc2)nc1=O ZINC001437520867 891183091 /nfs/dbraw/zinc/18/30/91/891183091.db2.gz PROXNCXBBDCZJM-UHFFFAOYSA-N 1 2 291.315 -1.240 20 0 CAADLO Cn1[nH]c(C[N@@H+](C)CCNC(=O)c2ccnnc2)nc1=O ZINC001437520867 891183094 /nfs/dbraw/zinc/18/30/94/891183094.db2.gz PROXNCXBBDCZJM-UHFFFAOYSA-N 1 2 291.315 -1.240 20 0 CAADLO CNC(=O)C[N@H+](C)CCNC(=O)C[C@H]1CCC(=O)N1 ZINC001437529360 891183314 /nfs/dbraw/zinc/18/33/14/891183314.db2.gz DUHATVXRGUPCJC-SECBINFHSA-N 1 2 270.333 -1.551 20 0 CAADLO CNC(=O)C[N@@H+](C)CCNC(=O)C[C@H]1CCC(=O)N1 ZINC001437529360 891183316 /nfs/dbraw/zinc/18/33/16/891183316.db2.gz DUHATVXRGUPCJC-SECBINFHSA-N 1 2 270.333 -1.551 20 0 CAADLO C[N@H+](CCO)CCNC(=O)Cn1[nH]cc2c(=O)ncnc1-2 ZINC001437533818 891183635 /nfs/dbraw/zinc/18/36/35/891183635.db2.gz APUKTZNIPOHOKD-UHFFFAOYSA-N 1 2 294.315 -1.889 20 0 CAADLO C[N@@H+](CCO)CCNC(=O)Cn1[nH]cc2c(=O)ncnc1-2 ZINC001437533818 891183648 /nfs/dbraw/zinc/18/36/48/891183648.db2.gz APUKTZNIPOHOKD-UHFFFAOYSA-N 1 2 294.315 -1.889 20 0 CAADLO C[N@H+](CCNC(=O)c1nc[nH]n1)CCN1CCNC1=O ZINC001437535369 891183968 /nfs/dbraw/zinc/18/39/68/891183968.db2.gz GZTWALCGRDUQDD-UHFFFAOYSA-N 1 2 281.320 -1.509 20 0 CAADLO C[N@@H+](CCNC(=O)c1nc[nH]n1)CCN1CCNC1=O ZINC001437535369 891183977 /nfs/dbraw/zinc/18/39/77/891183977.db2.gz GZTWALCGRDUQDD-UHFFFAOYSA-N 1 2 281.320 -1.509 20 0 CAADLO CNC(=O)C[N@H+](C)CCNC(=O)c1nc2ncccn2n1 ZINC001437530815 891184713 /nfs/dbraw/zinc/18/47/13/891184713.db2.gz FVZWLZAZSLYLEY-UHFFFAOYSA-N 1 2 291.315 -1.468 20 0 CAADLO CNC(=O)C[N@@H+](C)CCNC(=O)c1nc2ncccn2n1 ZINC001437530815 891184720 /nfs/dbraw/zinc/18/47/20/891184720.db2.gz FVZWLZAZSLYLEY-UHFFFAOYSA-N 1 2 291.315 -1.468 20 0 CAADLO CCN(C)C(=O)C[N@H+](C)CCNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001437517858 891184815 /nfs/dbraw/zinc/18/48/15/891184815.db2.gz UTLRJNXGCANCCW-ZJUUUORDSA-N 1 2 284.360 -1.366 20 0 CAADLO CCN(C)C(=O)C[N@@H+](C)CCNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001437517858 891184827 /nfs/dbraw/zinc/18/48/27/891184827.db2.gz UTLRJNXGCANCCW-ZJUUUORDSA-N 1 2 284.360 -1.366 20 0 CAADLO CC[N@H+](CCNC(=O)CNC(C)=O)Cc1cnnn1C ZINC001437573257 891185552 /nfs/dbraw/zinc/18/55/52/891185552.db2.gz GFDUGEBFGLUPAF-UHFFFAOYSA-N 1 2 282.348 -1.111 20 0 CAADLO CC[N@@H+](CCNC(=O)CNC(C)=O)Cc1cnnn1C ZINC001437573257 891185556 /nfs/dbraw/zinc/18/55/56/891185556.db2.gz GFDUGEBFGLUPAF-UHFFFAOYSA-N 1 2 282.348 -1.111 20 0 CAADLO CC[N@H+](CCNC(=O)CNC(=O)NC)Cc1cnnn1C ZINC001437596452 891185569 /nfs/dbraw/zinc/18/55/69/891185569.db2.gz KBPWWLRBFFXYPE-UHFFFAOYSA-N 1 2 297.363 -1.318 20 0 CAADLO CC[N@@H+](CCNC(=O)CNC(=O)NC)Cc1cnnn1C ZINC001437596452 891185576 /nfs/dbraw/zinc/18/55/76/891185576.db2.gz KBPWWLRBFFXYPE-UHFFFAOYSA-N 1 2 297.363 -1.318 20 0 CAADLO CCNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)c1nnn(C)n1 ZINC001437670945 891188769 /nfs/dbraw/zinc/18/87/69/891188769.db2.gz ZDOUZQSBQCTAGW-VIFPVBQESA-N 1 2 295.347 -1.460 20 0 CAADLO CCNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)c1nnn(C)n1 ZINC001437670945 891188777 /nfs/dbraw/zinc/18/87/77/891188777.db2.gz ZDOUZQSBQCTAGW-VIFPVBQESA-N 1 2 295.347 -1.460 20 0 CAADLO C[C@@]1(C(=O)NC[C@@H]2CCC[N@@H+]2CC(N)=O)CCNC(=O)C1 ZINC001437678699 891189573 /nfs/dbraw/zinc/18/95/73/891189573.db2.gz KLPKOAHFUMMBRV-IINYFYTJSA-N 1 2 296.371 -1.031 20 0 CAADLO C[C@@]1(C(=O)NC[C@@H]2CCC[N@H+]2CC(N)=O)CCNC(=O)C1 ZINC001437678699 891189576 /nfs/dbraw/zinc/18/95/76/891189576.db2.gz KLPKOAHFUMMBRV-IINYFYTJSA-N 1 2 296.371 -1.031 20 0 CAADLO O=C(Cc1nnc[nH]1)NCC[N@H+](C1CC1)[C@H]1CCNC1=O ZINC001437812568 891191800 /nfs/dbraw/zinc/19/18/00/891191800.db2.gz BLHMELODECRCON-JTQLQIEISA-N 1 2 292.343 -1.184 20 0 CAADLO O=C(Cc1nnc[nH]1)NCC[N@@H+](C1CC1)[C@H]1CCNC1=O ZINC001437812568 891191806 /nfs/dbraw/zinc/19/18/06/891191806.db2.gz BLHMELODECRCON-JTQLQIEISA-N 1 2 292.343 -1.184 20 0 CAADLO COCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H](C)C(=O)NC(N)=O ZINC001437866871 891196616 /nfs/dbraw/zinc/19/66/16/891196616.db2.gz BSGFQGCZQBZRQV-LPEHRKFASA-N 1 2 298.343 -1.109 20 0 CAADLO COCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H](C)C(=O)NC(N)=O ZINC001437866871 891196619 /nfs/dbraw/zinc/19/66/19/891196619.db2.gz BSGFQGCZQBZRQV-LPEHRKFASA-N 1 2 298.343 -1.109 20 0 CAADLO CCS(=O)(=O)N[C@@H](C)C(=O)NC1C[NH+](CCOC)C1 ZINC001438050905 891199717 /nfs/dbraw/zinc/19/97/17/891199717.db2.gz GZZLSSDIFXUBAZ-VIFPVBQESA-N 1 2 293.389 -1.239 20 0 CAADLO COCC[NH+]1CC(NC(=O)CCNC(=O)COC)C1 ZINC001438050160 891199783 /nfs/dbraw/zinc/19/97/83/891199783.db2.gz YSYBONHEHHFGQA-UHFFFAOYSA-N 1 2 273.333 -1.414 20 0 CAADLO C[C@H](O)C[NH+]1CC(NC(=O)CNS(=O)(=O)N(C)C)C1 ZINC001438078894 891202016 /nfs/dbraw/zinc/20/20/16/891202016.db2.gz BKZQGZPBXSZNKK-QMMMGPOBSA-N 1 2 294.377 -2.436 20 0 CAADLO COC[C@H](O)C[NH+]1CC(NC(=O)C[C@@H]2CCCC(=O)N2)C1 ZINC001438060789 891202907 /nfs/dbraw/zinc/20/29/07/891202907.db2.gz UTWTUJZXBAYVST-CMPLNLGQSA-N 1 2 299.371 -1.147 20 0 CAADLO C[C@@H](NC(=O)Cn1cnnn1)C(=O)NC1C[NH+](CCO)C1 ZINC001438085517 891203800 /nfs/dbraw/zinc/20/38/00/891203800.db2.gz UXBJKPHTUXUPFY-MRVPVSSYSA-N 1 2 297.319 -3.030 20 0 CAADLO CCC(=O)N[C@H](C)C(=O)NCC1C[NH+](CC(N)=O)C1 ZINC001438124781 891204738 /nfs/dbraw/zinc/20/47/38/891204738.db2.gz WTPWPQVDPIZLLT-MRVPVSSYSA-N 1 2 270.333 -1.566 20 0 CAADLO CNC(=O)CCCC(=O)NCC1C[NH+]([C@@H](C)C(N)=O)C1 ZINC001438109837 891204917 /nfs/dbraw/zinc/20/49/17/891204917.db2.gz FBUAARYWYUBRFK-VIFPVBQESA-N 1 2 284.360 -1.176 20 0 CAADLO CCNC(=O)C[NH+]1CC(CNC(=O)c2c[nH]c(=O)n2C)C1 ZINC001438129141 891204973 /nfs/dbraw/zinc/20/49/73/891204973.db2.gz IDPDEYJZEDPZSB-UHFFFAOYSA-N 1 2 295.343 -1.077 20 0 CAADLO C[C@@H](C(=O)NC(N)=O)[NH+]1CC(CNC(=O)C(F)F)C1 ZINC001438106976 891205060 /nfs/dbraw/zinc/20/50/60/891205060.db2.gz UGCIRXVRHIBLPT-YFKPBYRVSA-N 1 2 278.259 -1.117 20 0 CAADLO CNC(=O)C[NH+]1CC(CNC(=O)[C@@H](C)n2cncn2)C1 ZINC001438112340 891205188 /nfs/dbraw/zinc/20/51/88/891205188.db2.gz HGAJSXLZJUTUCG-SECBINFHSA-N 1 2 280.332 -1.367 20 0 CAADLO CCNC(=O)C[NH+]1CC(CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001438134176 891205577 /nfs/dbraw/zinc/20/55/77/891205577.db2.gz NMWFIVQOYFIHIY-SECBINFHSA-N 1 2 283.332 -2.148 20 0 CAADLO NC(=O)C[NH+]1CC(CNC(=O)CO[C@H]2CCOC2)C1 ZINC001438125166 891205717 /nfs/dbraw/zinc/20/57/17/891205717.db2.gz RNEQQBSKNRIYAO-JTQLQIEISA-N 1 2 271.317 -1.675 20 0 CAADLO CNC(=O)C[NH+]1CC(CNC(=O)[C@@]2(F)CCOC2)C1 ZINC001438133315 891205996 /nfs/dbraw/zinc/20/59/96/891205996.db2.gz IYKCADQMFCSBME-GFCCVEGCSA-N 1 2 273.308 -1.091 20 0 CAADLO CNC(=O)C[NH+]1CC(CNC(=O)[C@@H](C)[C@@H]2CCC(=O)N2)C1 ZINC001438145964 891206457 /nfs/dbraw/zinc/20/64/57/891206457.db2.gz RQCKEOYGHTZJBH-ONGXEEELSA-N 1 2 296.371 -1.305 20 0 CAADLO C[C@H](C(N)=O)[NH+]1CC(CNC(=O)CN2CCCNC2=O)C1 ZINC001438127608 891207110 /nfs/dbraw/zinc/20/71/10/891207110.db2.gz MWKYJWZPOZRUSQ-SECBINFHSA-N 1 2 297.359 -1.677 20 0 CAADLO C[C@@H](C(N)=O)[NH+]1CC(CNC(=O)C[C@H]2CCC(=O)NC2)C1 ZINC001438117645 891207318 /nfs/dbraw/zinc/20/73/18/891207318.db2.gz DTPGRBOHRBFPEY-VHSXEESVSA-N 1 2 296.371 -1.176 20 0 CAADLO CNC(=O)C[NH+]1CC(CNC(=O)CCn2cncn2)C1 ZINC001438106849 891207572 /nfs/dbraw/zinc/20/75/72/891207572.db2.gz VQBFSDBZPPZJSS-UHFFFAOYSA-N 1 2 280.332 -1.538 20 0 CAADLO CNC(=O)C[NH+]1CC(CNC(=O)C[C@H](C)NC(N)=O)C1 ZINC001438119762 891207838 /nfs/dbraw/zinc/20/78/38/891207838.db2.gz BILUYILJHLEGMB-QMMMGPOBSA-N 1 2 285.348 -1.773 20 0 CAADLO O=C(Cn1cnnn1)NCC1C[NH+](CC(=O)NC2CC2)C1 ZINC001438106370 891208017 /nfs/dbraw/zinc/20/80/17/891208017.db2.gz SKZGEAZUCBRCMO-UHFFFAOYSA-N 1 2 293.331 -2.000 20 0 CAADLO CCN(C)C(=O)C[NH+]1CC(CNC(=O)Cc2nc[nH]n2)C1 ZINC001438154051 891208302 /nfs/dbraw/zinc/20/83/02/891208302.db2.gz ASKDNZUCBQBRBL-UHFFFAOYSA-N 1 2 294.359 -1.127 20 0 CAADLO CC(=O)N1CC[C@@](C)(C(=O)NCC2C[NH+](CC(N)=O)C2)C1 ZINC001438144079 891208689 /nfs/dbraw/zinc/20/86/89/891208689.db2.gz CWTNEDMSGDQBNI-CQSZACIVSA-N 1 2 296.371 -1.222 20 0 CAADLO CCNC(=O)C[NH+]1CC(CNC(=O)[C@@H]2CCC(=O)N2C)C1 ZINC001438128124 891208811 /nfs/dbraw/zinc/20/88/11/891208811.db2.gz BPRSZKMKYCDCKW-NSHDSACASA-N 1 2 296.371 -1.209 20 0 CAADLO NC(=O)NCCC(=O)NCC1C[NH+](CC(=O)N2CCC2)C1 ZINC001438162121 891210109 /nfs/dbraw/zinc/21/01/09/891210109.db2.gz GRVYNLPZYPGLHL-UHFFFAOYSA-N 1 2 297.359 -1.675 20 0 CAADLO C[C@H](C(N)=O)[NH+]1CC(CNC(=O)CCN2CCCC2=O)C1 ZINC001438164966 891210660 /nfs/dbraw/zinc/21/06/60/891210660.db2.gz XLBHKRGZEKSEDM-SNVBAGLBSA-N 1 2 296.371 -1.079 20 0 CAADLO CC(C)(C)C(=O)NCC(=O)N[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001438198333 891210756 /nfs/dbraw/zinc/21/07/56/891210756.db2.gz VYSSGTMJKVTFAV-VIFPVBQESA-N 1 2 284.360 -1.176 20 0 CAADLO CC(C)(C)C(=O)NCC(=O)N[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001438198333 891210773 /nfs/dbraw/zinc/21/07/73/891210773.db2.gz VYSSGTMJKVTFAV-VIFPVBQESA-N 1 2 284.360 -1.176 20 0 CAADLO CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@H](C)CC(N)=O)C1 ZINC001438211942 891211880 /nfs/dbraw/zinc/21/18/80/891211880.db2.gz XRRZABDOSJRUGR-NXEZZACHSA-N 1 2 284.360 -1.176 20 0 CAADLO CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@H](C)CC(N)=O)C1 ZINC001438211942 891211897 /nfs/dbraw/zinc/21/18/97/891211897.db2.gz XRRZABDOSJRUGR-NXEZZACHSA-N 1 2 284.360 -1.176 20 0 CAADLO Cc1n[nH]cc1C(=O)N[C@H]1CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001438191679 891214012 /nfs/dbraw/zinc/21/40/12/891214012.db2.gz GBRASGNWGRLCJX-QMMMGPOBSA-N 1 2 294.315 -1.283 20 0 CAADLO Cc1n[nH]cc1C(=O)N[C@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001438191679 891214030 /nfs/dbraw/zinc/21/40/30/891214030.db2.gz GBRASGNWGRLCJX-QMMMGPOBSA-N 1 2 294.315 -1.283 20 0 CAADLO CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@@H](C)CC(N)=O)C1 ZINC001438211945 891214173 /nfs/dbraw/zinc/21/41/73/891214173.db2.gz XRRZABDOSJRUGR-VHSXEESVSA-N 1 2 284.360 -1.176 20 0 CAADLO CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@@H](C)CC(N)=O)C1 ZINC001438211945 891214190 /nfs/dbraw/zinc/21/41/90/891214190.db2.gz XRRZABDOSJRUGR-VHSXEESVSA-N 1 2 284.360 -1.176 20 0 CAADLO NC(=O)NC(=O)C[NH+]1CC(CNC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001438157791 891214309 /nfs/dbraw/zinc/21/43/09/891214309.db2.gz HYFYQXBTRVOCAI-QMMMGPOBSA-N 1 2 297.315 -2.492 20 0 CAADLO CC[C@@H](CNC(=O)c1nnc[nH]1)[NH2+]Cc1nnnn1C ZINC001438352961 891215380 /nfs/dbraw/zinc/21/53/80/891215380.db2.gz RGPHUKRWWLOXNE-ZETCQYMHSA-N 1 2 279.308 -1.374 20 0 CAADLO C[C@H](CNC(=O)c1nc[nH]n1)C[NH2+]Cc1nnnn1C ZINC001438536484 891221984 /nfs/dbraw/zinc/22/19/84/891221984.db2.gz PMIDRYWIKMJTMM-ZETCQYMHSA-N 1 2 279.308 -1.516 20 0 CAADLO COC[C@@H](O)C[N@@H+]1CCO[C@H](CNC(=O)[C@H](C)OC)C1 ZINC001438559581 891223956 /nfs/dbraw/zinc/22/39/56/891223956.db2.gz LUVMPUULEGIQGS-SDDRHHMPSA-N 1 2 290.360 -1.154 20 0 CAADLO COC[C@@H](O)C[N@H+]1CCO[C@H](CNC(=O)[C@H](C)OC)C1 ZINC001438559581 891223971 /nfs/dbraw/zinc/22/39/71/891223971.db2.gz LUVMPUULEGIQGS-SDDRHHMPSA-N 1 2 290.360 -1.154 20 0 CAADLO CCC(=O)NCC(=O)NC[C@H]1C[N@H+](CCO)CCO1 ZINC001438562879 891226709 /nfs/dbraw/zinc/22/67/09/891226709.db2.gz SKXXYMBTAMREFM-JTQLQIEISA-N 1 2 273.333 -1.678 20 0 CAADLO CCC(=O)NCC(=O)NC[C@H]1C[N@@H+](CCO)CCO1 ZINC001438562879 891226726 /nfs/dbraw/zinc/22/67/26/891226726.db2.gz SKXXYMBTAMREFM-JTQLQIEISA-N 1 2 273.333 -1.678 20 0 CAADLO C[C@]1(C(=O)NC[C@H]2C[N@H+](CCO)CCO2)CCC(=O)NC1 ZINC001438574384 891227066 /nfs/dbraw/zinc/22/70/66/891227066.db2.gz HEYRXSKDIDFAFP-FZMZJTMJSA-N 1 2 299.371 -1.288 20 0 CAADLO C[C@]1(C(=O)NC[C@H]2C[N@@H+](CCO)CCO2)CCC(=O)NC1 ZINC001438574384 891227084 /nfs/dbraw/zinc/22/70/84/891227084.db2.gz HEYRXSKDIDFAFP-FZMZJTMJSA-N 1 2 299.371 -1.288 20 0 CAADLO CNC(=O)C[N@H+](C)CCN(C)C(=O)[C@@H]1COC(=O)N1 ZINC001438871436 891232764 /nfs/dbraw/zinc/23/27/64/891232764.db2.gz HRYRLMVOFOQZIQ-QMMMGPOBSA-N 1 2 272.305 -1.769 20 0 CAADLO CNC(=O)C[N@@H+](C)CCN(C)C(=O)[C@@H]1COC(=O)N1 ZINC001438871436 891232779 /nfs/dbraw/zinc/23/27/79/891232779.db2.gz HRYRLMVOFOQZIQ-QMMMGPOBSA-N 1 2 272.305 -1.769 20 0 CAADLO CC(=O)N(C)CC[N@H+](C)CC(=O)N1CCNC(=O)C1 ZINC001438841412 891232883 /nfs/dbraw/zinc/23/28/83/891232883.db2.gz TWOWFQKINSLIMI-UHFFFAOYSA-N 1 2 270.333 -1.645 20 0 CAADLO CC(=O)N(C)CC[N@@H+](C)CC(=O)N1CCNC(=O)C1 ZINC001438841412 891232901 /nfs/dbraw/zinc/23/29/01/891232901.db2.gz TWOWFQKINSLIMI-UHFFFAOYSA-N 1 2 270.333 -1.645 20 0 CAADLO CN(CC[N@H+](C)CC(N)=O)C(=O)C[C@H]1CCC(=O)N1 ZINC001438924105 891234023 /nfs/dbraw/zinc/23/40/23/891234023.db2.gz RJSAKVZJDHBRQJ-SECBINFHSA-N 1 2 270.333 -1.469 20 0 CAADLO CN(CC[N@@H+](C)CC(N)=O)C(=O)C[C@H]1CCC(=O)N1 ZINC001438924105 891234042 /nfs/dbraw/zinc/23/40/42/891234042.db2.gz RJSAKVZJDHBRQJ-SECBINFHSA-N 1 2 270.333 -1.469 20 0 CAADLO CN(CC[N@H+](C)CC(N)=O)C(=O)c1ccnc2n[nH]nc21 ZINC001438898516 891236525 /nfs/dbraw/zinc/23/65/25/891236525.db2.gz ZFIMVFVZWRXPHK-UHFFFAOYSA-N 1 2 291.315 -1.158 20 0 CAADLO CN(CC[N@@H+](C)CC(N)=O)C(=O)c1ccnc2n[nH]nc21 ZINC001438898516 891236542 /nfs/dbraw/zinc/23/65/42/891236542.db2.gz ZFIMVFVZWRXPHK-UHFFFAOYSA-N 1 2 291.315 -1.158 20 0 CAADLO CO[C@H](C(=O)N(C)CC[N@H+](C)CC(N)=O)[C@@H]1CCOC1 ZINC001438891575 891237373 /nfs/dbraw/zinc/23/73/73/891237373.db2.gz CRICRQURNZTSNM-PWSUYJOCSA-N 1 2 287.360 -1.087 20 0 CAADLO CO[C@H](C(=O)N(C)CC[N@@H+](C)CC(N)=O)[C@@H]1CCOC1 ZINC001438891575 891237388 /nfs/dbraw/zinc/23/73/88/891237388.db2.gz CRICRQURNZTSNM-PWSUYJOCSA-N 1 2 287.360 -1.087 20 0 CAADLO O=C(CCc1nnc[nH]1)NC[C@H](O)C[NH2+]Cc1ccon1 ZINC001438978878 891250439 /nfs/dbraw/zinc/25/04/39/891250439.db2.gz HJALWIYCLPJUNQ-SNVBAGLBSA-N 1 2 294.315 -1.008 20 0 CAADLO Cc1nnc(C[NH2+]C[C@H](O)CNC(=O)[C@@H]2CCOC2)o1 ZINC001438973864 891252242 /nfs/dbraw/zinc/25/22/42/891252242.db2.gz VLOXICZSOWAQSA-ZJUUUORDSA-N 1 2 284.316 -1.019 20 0 CAADLO CCC(=O)NCC(=O)NC[C@@H](O)C[NH2+]Cc1nc(C)no1 ZINC001438981023 891253800 /nfs/dbraw/zinc/25/38/00/891253800.db2.gz ISIDTEVSAFIBAA-VIFPVBQESA-N 1 2 299.331 -1.529 20 0 CAADLO Cn1ncnc1C[NH2+]C[C@H](O)CNC(=O)c1cn[nH]n1 ZINC001438995442 891258544 /nfs/dbraw/zinc/25/85/44/891258544.db2.gz COHVUPZRBPRBJE-ZETCQYMHSA-N 1 2 280.292 -2.186 20 0 CAADLO Cn1ncnc1C[NH2+]C[C@H](O)CNC(=O)c1cnn[nH]1 ZINC001438995442 891258559 /nfs/dbraw/zinc/25/85/59/891258559.db2.gz COHVUPZRBPRBJE-ZETCQYMHSA-N 1 2 280.292 -2.186 20 0 CAADLO CNC(=O)C[NH2+]C[C@H](O)CNC(=O)c1[nH]nc2c1CCC2 ZINC001439001354 891259158 /nfs/dbraw/zinc/25/91/58/891259158.db2.gz MKVBVYCVYBJHHG-QMMMGPOBSA-N 1 2 295.343 -1.675 20 0 CAADLO Cn1ncnc1C[NH2+]C[C@@H](O)CNC(=O)c1cn[nH]n1 ZINC001438995377 891260381 /nfs/dbraw/zinc/26/03/81/891260381.db2.gz COHVUPZRBPRBJE-SSDOTTSWSA-N 1 2 280.292 -2.186 20 0 CAADLO Cn1ncnc1C[NH2+]C[C@@H](O)CNC(=O)c1cnn[nH]1 ZINC001438995377 891260396 /nfs/dbraw/zinc/26/03/96/891260396.db2.gz COHVUPZRBPRBJE-SSDOTTSWSA-N 1 2 280.292 -2.186 20 0 CAADLO O=C(NC[C@H](O)C[NH2+]Cc1cnsn1)[C@H]1[C@@H]2COC[C@@H]21 ZINC001439026051 891268915 /nfs/dbraw/zinc/26/89/15/891268915.db2.gz RRJOURBRFCHVHJ-ZNSHCXBVSA-N 1 2 298.368 -1.003 20 0 CAADLO CCn1ncnc1C[NH2+]C[C@@H](O)CNC(=O)c1nnc[nH]1 ZINC001439046447 891273148 /nfs/dbraw/zinc/27/31/48/891273148.db2.gz WYSZLKQUMYAEJK-MRVPVSSYSA-N 1 2 294.319 -1.703 20 0 CAADLO Cc1nnc(C[NH2+]C[C@@H](O)CNC(=O)c2cnn(C)n2)o1 ZINC001439034867 891275889 /nfs/dbraw/zinc/27/58/89/891275889.db2.gz RRQSEJFIGGMKSB-MRVPVSSYSA-N 1 2 295.303 -1.613 20 0 CAADLO Cc1nnc(C[NH2+]C[C@H](O)CNC(=O)c2nonc2C)o1 ZINC001439067004 891277015 /nfs/dbraw/zinc/27/70/15/891277015.db2.gz XQLQCGCSMBMYGH-QMMMGPOBSA-N 1 2 296.287 -1.050 20 0 CAADLO C[C@H](C[NH2+][C@H](C)c1nnnn1C)NC(=O)c1nnc[nH]1 ZINC001439162761 891287626 /nfs/dbraw/zinc/28/76/26/891287626.db2.gz VBULGZYFBBEHDV-RNFRBKRXSA-N 1 2 279.308 -1.203 20 0 CAADLO C[C@H](C[NH2+][C@@H](C)c1nnnn1C)NC(=O)c1nnc[nH]1 ZINC001439162762 891289579 /nfs/dbraw/zinc/28/95/79/891289579.db2.gz VBULGZYFBBEHDV-RQJHMYQMSA-N 1 2 279.308 -1.203 20 0 CAADLO C[C@@H](C[NH2+]Cc1csnn1)NC(=O)c1nnn(C)n1 ZINC001439237927 891292813 /nfs/dbraw/zinc/29/28/13/891292813.db2.gz ZRBBQGVXJJXDSW-LURJTMIESA-N 1 2 282.333 -1.030 20 0 CAADLO CC[C@H](C(N)=O)[N@@H+]1CC[C@@H]1CNC(=O)Cn1cnnn1 ZINC001439512952 891307092 /nfs/dbraw/zinc/30/70/92/891307092.db2.gz JEDXJFSHMNZDDG-RKDXNWHRSA-N 1 2 281.320 -1.873 20 0 CAADLO CC[C@H](C(N)=O)[N@H+]1CC[C@@H]1CNC(=O)Cn1cnnn1 ZINC001439512952 891307105 /nfs/dbraw/zinc/30/71/05/891307105.db2.gz JEDXJFSHMNZDDG-RKDXNWHRSA-N 1 2 281.320 -1.873 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+]1CC[C@H]1CNC(=O)Cn1ncnn1 ZINC001439524426 891307681 /nfs/dbraw/zinc/30/76/81/891307681.db2.gz MQQDNGXYWAWIHR-BDAKNGLRSA-N 1 2 281.320 -2.002 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+]1CC[C@H]1CNC(=O)Cn1ncnn1 ZINC001439524426 891307698 /nfs/dbraw/zinc/30/76/98/891307698.db2.gz MQQDNGXYWAWIHR-BDAKNGLRSA-N 1 2 281.320 -2.002 20 0 CAADLO CN(C)C(=O)C[N@@H+]1CC[C@H]1CNC(=O)CCn1cncn1 ZINC001439509249 891309405 /nfs/dbraw/zinc/30/94/05/891309405.db2.gz USOLHLBRGGVSME-NSHDSACASA-N 1 2 294.359 -1.053 20 0 CAADLO CN(C)C(=O)C[N@H+]1CC[C@H]1CNC(=O)CCn1cncn1 ZINC001439509249 891309421 /nfs/dbraw/zinc/30/94/21/891309421.db2.gz USOLHLBRGGVSME-NSHDSACASA-N 1 2 294.359 -1.053 20 0 CAADLO CN(C)C(=O)C[N@@H+]1CC[C@@H]1CNC(=O)CCCC(N)=O ZINC001439583566 891311478 /nfs/dbraw/zinc/31/14/78/891311478.db2.gz MJYGTZUAOSRMMQ-SNVBAGLBSA-N 1 2 284.360 -1.079 20 0 CAADLO CN(C)C(=O)C[N@H+]1CC[C@@H]1CNC(=O)CCCC(N)=O ZINC001439583566 891311496 /nfs/dbraw/zinc/31/14/96/891311496.db2.gz MJYGTZUAOSRMMQ-SNVBAGLBSA-N 1 2 284.360 -1.079 20 0 CAADLO CC[C@H](C(N)=O)[N@@H+]1CC[C@H]1CNC(=O)CCNC(N)=O ZINC001439571577 891313692 /nfs/dbraw/zinc/31/36/92/891313692.db2.gz WBGVNRRPBMUEJI-DTWKUNHWSA-N 1 2 285.348 -1.501 20 0 CAADLO CC[C@H](C(N)=O)[N@H+]1CC[C@H]1CNC(=O)CCNC(N)=O ZINC001439571577 891313709 /nfs/dbraw/zinc/31/37/09/891313709.db2.gz WBGVNRRPBMUEJI-DTWKUNHWSA-N 1 2 285.348 -1.501 20 0 CAADLO CC(=O)N[C@@H](CC(=O)NC[C@H]1CC[N@@H+]1CCF)C(N)=O ZINC001439559239 891314158 /nfs/dbraw/zinc/31/41/58/891314158.db2.gz LRRWYOMZEXWKQE-ZJUUUORDSA-N 1 2 288.323 -1.474 20 0 CAADLO CC(=O)N[C@@H](CC(=O)NC[C@H]1CC[N@H+]1CCF)C(N)=O ZINC001439559239 891314173 /nfs/dbraw/zinc/31/41/73/891314173.db2.gz LRRWYOMZEXWKQE-ZJUUUORDSA-N 1 2 288.323 -1.474 20 0 CAADLO CC[C@@H](C(N)=O)[N@@H+]1CC[C@@H]1CNC(=O)CCNC(N)=O ZINC001439571573 891314901 /nfs/dbraw/zinc/31/49/01/891314901.db2.gz WBGVNRRPBMUEJI-BDAKNGLRSA-N 1 2 285.348 -1.501 20 0 CAADLO CC[C@@H](C(N)=O)[N@H+]1CC[C@@H]1CNC(=O)CCNC(N)=O ZINC001439571573 891314917 /nfs/dbraw/zinc/31/49/17/891314917.db2.gz WBGVNRRPBMUEJI-BDAKNGLRSA-N 1 2 285.348 -1.501 20 0 CAADLO NC(=O)[C@@H]1C[C@@H]1C(=O)NCC1([NH2+]Cc2cnon2)CC1 ZINC001439647668 891317429 /nfs/dbraw/zinc/31/74/29/891317429.db2.gz UWDACTZIHXELCQ-BDAKNGLRSA-N 1 2 279.300 -1.071 20 0 CAADLO C[C@H](CC(N)=O)C(=O)NCC1([NH2+]Cc2nnnn2C)CC1 ZINC001439632942 891318651 /nfs/dbraw/zinc/31/86/51/891318651.db2.gz CEHHOJFATJXIKP-MRVPVSSYSA-N 1 2 295.347 -1.540 20 0 CAADLO COC[C@H](OC)C(=O)NCC1([NH2+]Cc2nnnn2C)CC1 ZINC001439649614 891319950 /nfs/dbraw/zinc/31/99/50/891319950.db2.gz RSHYNPFQMIKVPZ-VIFPVBQESA-N 1 2 298.347 -1.390 20 0 CAADLO C[C@H](O)C[N@@H+]1CC[C@@](C)(NC(=O)CS(C)(=O)=O)C1 ZINC001439832230 891322433 /nfs/dbraw/zinc/32/24/33/891322433.db2.gz LGCMHPPDTFVUMD-GXSJLCMTSA-N 1 2 278.374 -1.008 20 0 CAADLO C[C@H](O)C[N@H+]1CC[C@@](C)(NC(=O)CS(C)(=O)=O)C1 ZINC001439832230 891322447 /nfs/dbraw/zinc/32/24/47/891322447.db2.gz LGCMHPPDTFVUMD-GXSJLCMTSA-N 1 2 278.374 -1.008 20 0 CAADLO CNS(=O)(=O)CC(=O)N(C)C1C[NH+]([C@H](C)COC)C1 ZINC001439754271 891324731 /nfs/dbraw/zinc/32/47/31/891324731.db2.gz DIVNHBFYXCCFIS-SECBINFHSA-N 1 2 293.389 -1.287 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)c2ncccc2O)C1 ZINC001439970372 891327308 /nfs/dbraw/zinc/32/73/08/891327308.db2.gz DNVZUESOPODGHW-ZDUSSCGKSA-N 1 2 294.311 -1.561 20 0 CAADLO NC(=O)C[N@H+]1CC[C@](O)(CNC(=O)c2ncccc2O)C1 ZINC001439970372 891327325 /nfs/dbraw/zinc/32/73/25/891327325.db2.gz DNVZUESOPODGHW-ZDUSSCGKSA-N 1 2 294.311 -1.561 20 0 CAADLO O=C(NCC1(O)C[NH+](CCCO)C1)c1cnns1 ZINC001440033798 891342163 /nfs/dbraw/zinc/34/21/63/891342163.db2.gz HEJXJKCSGDZOSC-UHFFFAOYSA-N 1 2 272.330 -1.303 20 0 CAADLO COC[C@@H](C)[NH+]1CC(O)(CNC(=O)CCn2ccnn2)C1 ZINC001440040246 891345664 /nfs/dbraw/zinc/34/56/64/891345664.db2.gz CPDUEAFVDUEZIV-LLVKDONJSA-N 1 2 297.359 -1.134 20 0 CAADLO CCOCC(=O)NCC1(O)C[NH+](C[C@@H](O)COC)C1 ZINC001440035594 891347667 /nfs/dbraw/zinc/34/76/67/891347667.db2.gz NOPJNBZZGZZIFO-SNVBAGLBSA-N 1 2 276.333 -1.807 20 0 CAADLO C[C@H](O)C[NH+]1CC(O)(CNC(=O)c2ccc(=O)n(C)c2)C1 ZINC001440063229 891348425 /nfs/dbraw/zinc/34/84/25/891348425.db2.gz QGGDOLOJPCPKPW-JTQLQIEISA-N 1 2 295.339 -1.457 20 0 CAADLO Cc1c(CC(=O)NCC2(O)C[NH+](C[C@@H](C)O)C2)cnn1C ZINC001440049409 891349735 /nfs/dbraw/zinc/34/97/35/891349735.db2.gz MZOUGYMYASUSSI-SNVBAGLBSA-N 1 2 296.371 -1.185 20 0 CAADLO O=C(NCC1(O)CN(CCO)C1)[C@@H]1CCc2c[nH+]cn2C1 ZINC001440052810 891350156 /nfs/dbraw/zinc/35/01/56/891350156.db2.gz BPRSQJOXBFGKCJ-LLVKDONJSA-N 1 2 294.355 -1.399 20 0 CAADLO Cn1nccc1CCC(=O)NCC1(O)C[NH+](CCCO)C1 ZINC001440058357 891350970 /nfs/dbraw/zinc/35/09/70/891350970.db2.gz ZUQNJONHALAPJU-UHFFFAOYSA-N 1 2 296.371 -1.102 20 0 CAADLO Cc1c(CC(=O)NCC2(O)C[NH+](C[C@H](C)O)C2)cnn1C ZINC001440049408 891351088 /nfs/dbraw/zinc/35/10/88/891351088.db2.gz MZOUGYMYASUSSI-JTQLQIEISA-N 1 2 296.371 -1.185 20 0 CAADLO Cn1c[nH+]cc1CCC(=O)NCC1(O)CN(CCCO)C1 ZINC001440087375 891352150 /nfs/dbraw/zinc/35/21/50/891352150.db2.gz AFGPAIHMPUWNSA-UHFFFAOYSA-N 1 2 296.371 -1.102 20 0 CAADLO C[C@@H](O)C[NH+]1CC(O)(CNC(=O)CCn2cnnn2)C1 ZINC001440084367 891352878 /nfs/dbraw/zinc/35/28/78/891352878.db2.gz UKRATWMTHQTVEB-SECBINFHSA-N 1 2 284.320 -2.393 20 0 CAADLO C[C@H](O)C[NH+]1CC(O)(CNC(=O)c2ccc(=O)[nH]c2)C1 ZINC001440090977 891352911 /nfs/dbraw/zinc/35/29/11/891352911.db2.gz WXIVLKTYRBZHFN-VIFPVBQESA-N 1 2 281.312 -1.056 20 0 CAADLO CO[C@H](C)C[NH+]1CC(O)(CNC(=O)C[C@@H]2CCC(=O)N2)C1 ZINC001440085252 891353793 /nfs/dbraw/zinc/35/37/93/891353793.db2.gz NDBCESLOYLLVSI-MNOVXSKESA-N 1 2 299.371 -1.147 20 0 CAADLO COc1ccc(C(=O)NCC2(O)C[NH+](C[C@@H](C)O)C2)nn1 ZINC001440083287 891353952 /nfs/dbraw/zinc/35/39/52/891353952.db2.gz CCOFXAGEGXFFMY-SECBINFHSA-N 1 2 296.327 -1.358 20 0 CAADLO C[C@H](O)C[NH+]1CC(O)(CNC(=O)[C@@H]2CCCC(=O)N2C)C1 ZINC001440091318 891354565 /nfs/dbraw/zinc/35/45/65/891354565.db2.gz ZYKPIYJYNAHFTK-QWRGUYRKSA-N 1 2 299.371 -1.459 20 0 CAADLO C[C@H](O)C[NH+]1CC(O)(CNC(=O)[C@H]2CCCC(=O)N2C)C1 ZINC001440091320 891354149 /nfs/dbraw/zinc/35/41/49/891354149.db2.gz ZYKPIYJYNAHFTK-WDEREUQCSA-N 1 2 299.371 -1.459 20 0 CAADLO CNC(=O)CN1CC(O)(CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001440087699 891354221 /nfs/dbraw/zinc/35/42/21/891354221.db2.gz GJIGFVXFJRCJCS-UHFFFAOYSA-N 1 2 295.343 -2.129 20 0 CAADLO CC(=O)N1CCC[C@@H]1C(=O)NCC1(O)C[NH+](C[C@@H](C)O)C1 ZINC001440092701 891356154 /nfs/dbraw/zinc/35/61/54/891356154.db2.gz CEGJZWTWIOBLRH-ZYHUDNBSSA-N 1 2 299.371 -1.459 20 0 CAADLO COCC(=O)N[C@]1(CO)CCC[N@H+](CC(=O)N2CCC2)C1 ZINC001440155924 891357244 /nfs/dbraw/zinc/35/72/44/891357244.db2.gz GDOYIMWMMBXTEU-CQSZACIVSA-N 1 2 299.371 -1.192 20 0 CAADLO COCC(=O)N[C@]1(CO)CCC[N@@H+](CC(=O)N2CCC2)C1 ZINC001440155924 891357250 /nfs/dbraw/zinc/35/72/50/891357250.db2.gz GDOYIMWMMBXTEU-CQSZACIVSA-N 1 2 299.371 -1.192 20 0 CAADLO C[C@@H](O)C[N@@H+]1CCOC[C@@H]1CNC(=O)CCCC(N)=O ZINC001440267532 891361255 /nfs/dbraw/zinc/36/12/55/891361255.db2.gz CWNBRQMMFCJWNC-MNOVXSKESA-N 1 2 287.360 -1.160 20 0 CAADLO C[C@@H](O)C[N@H+]1CCOC[C@@H]1CNC(=O)CCCC(N)=O ZINC001440267532 891361268 /nfs/dbraw/zinc/36/12/68/891361268.db2.gz CWNBRQMMFCJWNC-MNOVXSKESA-N 1 2 287.360 -1.160 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CC[C@@H]1CN(C)C(=O)CCNC(N)=O ZINC001440252451 891362512 /nfs/dbraw/zinc/36/25/12/891362512.db2.gz KKSAGIONENOXGC-RKDXNWHRSA-N 1 2 285.348 -1.549 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CC[C@@H]1CN(C)C(=O)CCNC(N)=O ZINC001440252451 891362526 /nfs/dbraw/zinc/36/25/26/891362526.db2.gz KKSAGIONENOXGC-RKDXNWHRSA-N 1 2 285.348 -1.549 20 0 CAADLO Cn1nnnc1C[NH2+]C1(CNC(=O)c2nnc[nH]2)CCC1 ZINC001440344516 891367351 /nfs/dbraw/zinc/36/73/51/891367351.db2.gz TWCZVNGTRCNDJG-UHFFFAOYSA-N 1 2 291.319 -1.230 20 0 CAADLO CC(=O)N[C@H](C)C(=O)NC[C@H]1CCC2(C[NH+](CCO)C2)O1 ZINC001440501865 891373214 /nfs/dbraw/zinc/37/32/14/891373214.db2.gz USSHNUHFFXLDAN-ZYHUDNBSSA-N 1 2 299.371 -1.147 20 0 CAADLO C[C@@H]1C[C@@H](C(=O)NC2(CO)CC[NH+](CC(N)=O)CC2)CO1 ZINC001440692827 891378048 /nfs/dbraw/zinc/37/80/48/891378048.db2.gz CGRNDVYREFVFEY-GHMZBOCLSA-N 1 2 299.371 -1.160 20 0 CAADLO NC(=O)C[NH+]1CCC(CO)(NC(=O)c2cnco2)CC1 ZINC001440698439 891379454 /nfs/dbraw/zinc/37/94/54/891379454.db2.gz OVMOECVCZYIAJO-UHFFFAOYSA-N 1 2 282.300 -1.283 20 0 CAADLO NC(=O)C[NH+]1CCC(CO)(NC(=O)[C@H]2CCCO2)CC1 ZINC001440689542 891379605 /nfs/dbraw/zinc/37/96/05/891379605.db2.gz ODCUTILOAYCNTL-SNVBAGLBSA-N 1 2 285.344 -1.406 20 0 CAADLO CC(=O)N(C)CC(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc1nnn(C)n1 ZINC001440786738 891381993 /nfs/dbraw/zinc/38/19/93/891381993.db2.gz QMOOUUMPHZTXDJ-BDAKNGLRSA-N 1 2 297.363 -1.329 20 0 CAADLO C[C@H]1OCC[C@@H]1C(=O)NC1(CO)CC[NH+](CC(N)=O)CC1 ZINC001440707114 891382528 /nfs/dbraw/zinc/38/25/28/891382528.db2.gz SOHWCFVFVNSMHQ-MNOVXSKESA-N 1 2 299.371 -1.160 20 0 CAADLO C[C@H]1OCC[C@H]1C(=O)NC1(CO)CC[NH+](CC(N)=O)CC1 ZINC001440707107 891382614 /nfs/dbraw/zinc/38/26/14/891382614.db2.gz SOHWCFVFVNSMHQ-GHMZBOCLSA-N 1 2 299.371 -1.160 20 0 CAADLO NC(=O)C(NC(=O)[C@@H]1CCn2c[nH+]cc2C1)C(N)=O ZINC001440865402 891385027 /nfs/dbraw/zinc/38/50/27/891385027.db2.gz ZPTSHXBIACVKFE-ZCFIWIBFSA-N 1 2 265.273 -2.099 20 0 CAADLO C[C@H](CNC(=O)[C@H](C)NC(N)=O)[N@H+](C)Cc1cnnn1C ZINC001440904883 891386415 /nfs/dbraw/zinc/38/64/15/891386415.db2.gz CJFXHNZNFJELCO-BDAKNGLRSA-N 1 2 297.363 -1.192 20 0 CAADLO C[C@H](CNC(=O)[C@H](C)NC(N)=O)[N@@H+](C)Cc1cnnn1C ZINC001440904883 891386427 /nfs/dbraw/zinc/38/64/27/891386427.db2.gz CJFXHNZNFJELCO-BDAKNGLRSA-N 1 2 297.363 -1.192 20 0 CAADLO C[C@@H](NC(=O)c1nnc[nH]1)[C@H](C)[NH2+]Cc1nnnn1C ZINC001440835609 891388099 /nfs/dbraw/zinc/38/80/99/891388099.db2.gz JCSXUDAUJNHZBY-NKWVEPMBSA-N 1 2 279.308 -1.375 20 0 CAADLO NC(=O)C(NC(=O)[C@H]1CCn2c[nH+]cc2C1)C(N)=O ZINC001440865398 891389139 /nfs/dbraw/zinc/38/91/39/891389139.db2.gz ZPTSHXBIACVKFE-LURJTMIESA-N 1 2 265.273 -2.099 20 0 CAADLO Cc1nc(CC(=O)NC[C@@H](C)[N@H+](C)[C@@H]2CCNC2=O)n[nH]1 ZINC001440917244 891390957 /nfs/dbraw/zinc/39/09/57/891390957.db2.gz KKCFNVPPCTWMPY-PSASIEDQSA-N 1 2 294.359 -1.019 20 0 CAADLO Cc1nc(CC(=O)NC[C@@H](C)[N@@H+](C)[C@@H]2CCNC2=O)n[nH]1 ZINC001440917244 891390975 /nfs/dbraw/zinc/39/09/75/891390975.db2.gz KKCFNVPPCTWMPY-PSASIEDQSA-N 1 2 294.359 -1.019 20 0 CAADLO C[C@H](O)C[NH+]1CC(CCO)(NC(=O)c2ccc(=O)[nH]n2)C1 ZINC001441022842 891395870 /nfs/dbraw/zinc/39/58/70/891395870.db2.gz VXEDJNDOJHUSIF-VIFPVBQESA-N 1 2 296.327 -1.270 20 0 CAADLO O=C(Cn1cnnn1)NCC[NH+]1CCN(CCF)CC1 ZINC001441037075 891397220 /nfs/dbraw/zinc/39/72/20/891397220.db2.gz DOWFSYWDFXUNBY-UHFFFAOYSA-N 1 2 285.327 -1.624 20 0 CAADLO C[C@H](O)C[NH+]1CC(CCO)(NC(=O)C2=COCCO2)C1 ZINC001441020364 891398207 /nfs/dbraw/zinc/39/82/07/891398207.db2.gz KQKOZVWPEOHANE-JTQLQIEISA-N 1 2 286.328 -1.192 20 0 CAADLO Cn1nncc1C(=O)NC1(CCO)C[NH+](CCCO)C1 ZINC001441035778 891398294 /nfs/dbraw/zinc/39/82/94/891398294.db2.gz GCPRSSWQJVZQMB-UHFFFAOYSA-N 1 2 283.332 -1.636 20 0 CAADLO C[C@@H](O)C[NH+]1CC(CCO)(NC(=O)C[C@@H]2CCNC2=O)C1 ZINC001441046060 891399858 /nfs/dbraw/zinc/39/98/58/891399858.db2.gz OVILOFSVHZPZBK-MNOVXSKESA-N 1 2 299.371 -1.554 20 0 CAADLO O=C(NC1(CCO)C[NH+](CCO)C1)[C@@H]1CNC(=O)N1 ZINC001441063812 891400380 /nfs/dbraw/zinc/40/03/80/891400380.db2.gz JEKICEVTPVHNEB-QMMMGPOBSA-N 1 2 272.305 -2.787 20 0 CAADLO C[C@H](O)C[NH+]1CC(CCO)(NC(=O)C[C@@H]2CCNC2=O)C1 ZINC001441046061 891399979 /nfs/dbraw/zinc/39/99/79/891399979.db2.gz OVILOFSVHZPZBK-QWRGUYRKSA-N 1 2 299.371 -1.554 20 0 CAADLO CCOCC(=O)NCCN1CC[NH+]([C@@H]2CCNC2=O)CC1 ZINC001441040786 891400280 /nfs/dbraw/zinc/40/02/80/891400280.db2.gz YQGMFMYPESSQNQ-GFCCVEGCSA-N 1 2 298.387 -1.355 20 0 CAADLO Cn1cnc(C(=O)NC2(CCO)C[NH+](CCO)C2)cc1=O ZINC001441056717 891400509 /nfs/dbraw/zinc/40/05/09/891400509.db2.gz NNHGZLWDUCKJRP-UHFFFAOYSA-N 1 2 296.327 -2.061 20 0 CAADLO COCC[NH+]1CC(CCO)(NC(=O)[C@H]2CCC(=O)N2C)C1 ZINC001441069904 891400575 /nfs/dbraw/zinc/40/05/75/891400575.db2.gz YHYFAFZAIGSDRG-LLVKDONJSA-N 1 2 299.371 -1.193 20 0 CAADLO CO[C@H](C)C(=O)NCCN1CC[NH+]([C@H]2CCNC2=O)CC1 ZINC001441050928 891400798 /nfs/dbraw/zinc/40/07/98/891400798.db2.gz RGUUELVTKYIGGS-NEPJUHHUSA-N 1 2 298.387 -1.356 20 0 CAADLO Cc1[nH]c(=O)[nH]c1C(=O)NC1(CCO)C[NH+](CCO)C1 ZINC001441056787 891400922 /nfs/dbraw/zinc/40/09/22/891400922.db2.gz NWDPMHFMRXNBIH-UHFFFAOYSA-N 1 2 284.316 -1.417 20 0 CAADLO COCC[NH+]1CC(CCO)(NC(=O)[C@@H]2CC(=O)N(C)C2)C1 ZINC001441042779 891400932 /nfs/dbraw/zinc/40/09/32/891400932.db2.gz AYCQVUYYSOGULV-LLVKDONJSA-N 1 2 299.371 -1.336 20 0 CAADLO C[C@H](O)C[NH+]1CC(CCO)(NC(=O)C[C@H]2CCNC2=O)C1 ZINC001441046063 891401026 /nfs/dbraw/zinc/40/10/26/891401026.db2.gz OVILOFSVHZPZBK-WDEREUQCSA-N 1 2 299.371 -1.554 20 0 CAADLO O=C(C[C@@H]1CCC(=O)NC1)NC1(CCO)C[NH+](CCO)C1 ZINC001441046712 891401067 /nfs/dbraw/zinc/40/10/67/891401067.db2.gz QRZYTVBSYBHVII-NSHDSACASA-N 1 2 299.371 -1.552 20 0 CAADLO O=C(NC1(CCO)C[NH+](CCCO)C1)c1cnc[nH]c1=O ZINC001441057444 891401104 /nfs/dbraw/zinc/40/11/04/891401104.db2.gz PPONKTFVCAWZEF-UHFFFAOYSA-N 1 2 296.327 -1.269 20 0 CAADLO CCC(=O)NCC[NH+]1CCN(Cc2nc(=O)n(C)[nH]2)CC1 ZINC001441048368 891401802 /nfs/dbraw/zinc/40/18/02/891401802.db2.gz LHHPILYULUJEKB-UHFFFAOYSA-N 1 2 296.375 -1.248 20 0 CAADLO C[C@@H](O)C[NH+]1CC(CCO)(NC(=O)[C@]23C[C@H]2COC3)C1 ZINC001441042098 891402018 /nfs/dbraw/zinc/40/20/18/891402018.db2.gz SKVZTIRBBYRBBF-SUNKGSAMSA-N 1 2 284.356 -1.043 20 0 CAADLO CCNC(=O)C[NH+]1CC([C@@H](C)NC(=O)[C@@H]2COCCO2)C1 ZINC001441145046 891403339 /nfs/dbraw/zinc/40/33/39/891403339.db2.gz YQHDRMPUJUMRNA-PWSUYJOCSA-N 1 2 299.371 -1.026 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)CCc2cn[nH]n2)C1 ZINC001441109940 891403419 /nfs/dbraw/zinc/40/34/19/891403419.db2.gz HPXBKXZHWOFDTI-SCZZXKLOSA-N 1 2 280.332 -1.198 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)CCc2cn[nH]n2)C1 ZINC001441109940 891403424 /nfs/dbraw/zinc/40/34/24/891403424.db2.gz HPXBKXZHWOFDTI-SCZZXKLOSA-N 1 2 280.332 -1.198 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)CCc2cn[nH]n2)C1 ZINC001441109941 891403541 /nfs/dbraw/zinc/40/35/41/891403541.db2.gz HPXBKXZHWOFDTI-WPRPVWTQSA-N 1 2 280.332 -1.198 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)CCc2cn[nH]n2)C1 ZINC001441109941 891403546 /nfs/dbraw/zinc/40/35/46/891403546.db2.gz HPXBKXZHWOFDTI-WPRPVWTQSA-N 1 2 280.332 -1.198 20 0 CAADLO C[C@@H](CC(N)=O)C(=O)N[C@@H](C)C1C[NH+](CC(N)=O)C1 ZINC001441170656 891403858 /nfs/dbraw/zinc/40/38/58/891403858.db2.gz VAMCUHZLSITYNM-YUMQZZPRSA-N 1 2 270.333 -1.580 20 0 CAADLO COC(=O)NCC(=O)N[C@@H](C)C1C[NH+](CC(N)=O)C1 ZINC001441162928 891404401 /nfs/dbraw/zinc/40/44/01/891404401.db2.gz QSYFPKXKYYTOCS-ZETCQYMHSA-N 1 2 272.305 -1.736 20 0 CAADLO CCCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CCNC(N)=O)C1 ZINC001441126643 891404505 /nfs/dbraw/zinc/40/45/05/891404505.db2.gz GTLJHXGLHWXTFA-JTQLQIEISA-N 1 2 299.375 -1.239 20 0 CAADLO CCCNC(=O)C[N@H+]1CC[C@H](NC(=O)CCNC(N)=O)C1 ZINC001441126643 891404519 /nfs/dbraw/zinc/40/45/19/891404519.db2.gz GTLJHXGLHWXTFA-JTQLQIEISA-N 1 2 299.375 -1.239 20 0 CAADLO C[C@H](NC(=O)[C@]1(C)CCC(=O)NC1)C1C[NH+](CC(N)=O)C1 ZINC001441177728 891404705 /nfs/dbraw/zinc/40/47/05/891404705.db2.gz QHIOXZJKGXGLIN-LKFCYVNXSA-N 1 2 296.371 -1.176 20 0 CAADLO COC(=O)NCC(=O)N[C@H](C)C1C[NH+](CC(N)=O)C1 ZINC001441162927 891404760 /nfs/dbraw/zinc/40/47/60/891404760.db2.gz QSYFPKXKYYTOCS-SSDOTTSWSA-N 1 2 272.305 -1.736 20 0 CAADLO CNC(=O)C[NH+]1CC([C@@H](C)NC(=O)CN2CCOCC2)C1 ZINC001441167682 891405051 /nfs/dbraw/zinc/40/50/51/891405051.db2.gz VWAJWSSBGMGDBA-LLVKDONJSA-N 1 2 298.387 -1.499 20 0 CAADLO C[C@@H](NC(=O)Cn1ccccc1=O)C1C[NH+](CC(N)=O)C1 ZINC001441192918 891405452 /nfs/dbraw/zinc/40/54/52/891405452.db2.gz HEFAHEYFOWVPHD-SNVBAGLBSA-N 1 2 292.339 -1.230 20 0 CAADLO CNC(=O)C[NH+]1CC([C@@H](C)NC(=O)Cc2nc[nH]n2)C1 ZINC001441215538 891408035 /nfs/dbraw/zinc/40/80/35/891408035.db2.gz PLBBVEMSTFHFPJ-MRVPVSSYSA-N 1 2 280.332 -1.470 20 0 CAADLO Cn1nnc(C[NH2+][C@H]2C[C@@H](NC(=O)CCNC(N)=O)C2)n1 ZINC001441552982 891417661 /nfs/dbraw/zinc/41/76/61/891417661.db2.gz XQBAIFCGPLMGSN-OCAPTIKFSA-N 1 2 296.335 -1.995 20 0 CAADLO CC(=O)NCC(=O)NC[C@@H](CO)[NH2+][C@@H](C)c1nnc(C)[nH]1 ZINC001441656302 891419262 /nfs/dbraw/zinc/41/92/62/891419262.db2.gz CHNIHAGBJNKULY-XVKPBYJWSA-N 1 2 298.347 -1.623 20 0 CAADLO O=C(NC[C@@H](CO)[NH2+]Cc1nnnn1C1CC1)C1CC1 ZINC001441653337 891419552 /nfs/dbraw/zinc/41/95/52/891419552.db2.gz KPGCJXAHQCDYES-VIFPVBQESA-N 1 2 280.332 -1.015 20 0 CAADLO COCC(=O)NC[C@@H](CO)[NH2+][C@@H](C)c1nnnn1C ZINC001441653908 891419604 /nfs/dbraw/zinc/41/96/04/891419604.db2.gz VZBFVGUNBYIFEH-YUMQZZPRSA-N 1 2 272.309 -2.016 20 0 CAADLO COCC(=O)NC[C@@H](CO)[NH2+]Cc1nnc(C2CC2)[nH]1 ZINC001441651151 891420062 /nfs/dbraw/zinc/42/00/62/891420062.db2.gz QSIFBEDRTYOMBV-VIFPVBQESA-N 1 2 283.332 -1.105 20 0 CAADLO CNC(=O)C[N@@H+]1CCC[C@H](CNC(=O)Cc2nnc[nH]2)C1 ZINC001441578135 891420789 /nfs/dbraw/zinc/42/07/89/891420789.db2.gz DCJMPOXLMJFALW-SNVBAGLBSA-N 1 2 294.359 -1.079 20 0 CAADLO CNC(=O)C[N@H+]1CCC[C@H](CNC(=O)Cc2nnc[nH]2)C1 ZINC001441578135 891420794 /nfs/dbraw/zinc/42/07/94/891420794.db2.gz DCJMPOXLMJFALW-SNVBAGLBSA-N 1 2 294.359 -1.079 20 0 CAADLO CC(=O)NCC(=O)NC[C@H](CO)[NH2+][C@H](C)c1nnc(C)[nH]1 ZINC001441656295 891421169 /nfs/dbraw/zinc/42/11/69/891421169.db2.gz CHNIHAGBJNKULY-GMSGAONNSA-N 1 2 298.347 -1.623 20 0 CAADLO COCC(=O)NC[C@@H](CO)[NH2+][C@H](C)c1nnnn1C ZINC001441653905 891421390 /nfs/dbraw/zinc/42/13/90/891421390.db2.gz VZBFVGUNBYIFEH-SFYZADRCSA-N 1 2 272.309 -2.016 20 0 CAADLO CC(=O)N[C@H](C)C(=O)NC[C@H](CO)[NH2+]Cc1ccon1 ZINC001441660942 891422977 /nfs/dbraw/zinc/42/29/77/891422977.db2.gz CXDZNFPTKRVWLX-LDYMZIIASA-N 1 2 284.316 -1.234 20 0 CAADLO CC(=O)NCC(=O)NC[C@@H](CO)[NH2+][C@H](C)c1nnnn1C ZINC001441663221 891423055 /nfs/dbraw/zinc/42/30/55/891423055.db2.gz SUOLFGARVCKCLQ-APPZFPTMSA-N 1 2 299.335 -2.526 20 0 CAADLO CCOCC(=O)NC[C@H](CO)[NH2+]Cc1nnnn1C ZINC001441661586 891423702 /nfs/dbraw/zinc/42/37/02/891423702.db2.gz FBULXGSQNNRNFJ-MRVPVSSYSA-N 1 2 272.309 -2.187 20 0 CAADLO CCOCC(=O)NC[C@@H](CO)[NH2+]Cc1nnnn1C ZINC001441661587 891423843 /nfs/dbraw/zinc/42/38/43/891423843.db2.gz FBULXGSQNNRNFJ-QMMMGPOBSA-N 1 2 272.309 -2.187 20 0 CAADLO O=C(Cn1cnnn1)NC[C@H](CO)[NH2+]Cc1ccon1 ZINC001441663563 891424043 /nfs/dbraw/zinc/42/40/43/891424043.db2.gz ICZKZRGLNHKEPL-SECBINFHSA-N 1 2 281.276 -2.072 20 0 CAADLO COCCC(=O)NC[C@@H](CO)[NH2+]Cc1nnc(C)[nH]1 ZINC001441659969 891424067 /nfs/dbraw/zinc/42/40/67/891424067.db2.gz YFTRNIQVGZZIKA-VIFPVBQESA-N 1 2 271.321 -1.284 20 0 CAADLO CC(=O)NCC(=O)NC[C@@H](CO)[NH2+][C@@H](C)c1nnnn1C ZINC001441663222 891424213 /nfs/dbraw/zinc/42/42/13/891424213.db2.gz SUOLFGARVCKCLQ-CBAPKCEASA-N 1 2 299.335 -2.526 20 0 CAADLO CCOCC(=O)NC[C@@H](CO)[NH2+][C@@H](C)c1nncn1C ZINC001441663001 891424291 /nfs/dbraw/zinc/42/42/91/891424291.db2.gz GXMIUAPUXQYBAD-UWVGGRQHSA-N 1 2 285.348 -1.021 20 0 CAADLO Cn1nnnc1C[NH2+][C@H](CO)CNC(=O)C1=COCCC1 ZINC001441667973 891425982 /nfs/dbraw/zinc/42/59/82/891425982.db2.gz DSPNSJBVBUSKOP-JTQLQIEISA-N 1 2 296.331 -1.529 20 0 CAADLO CC(=O)N(C)CC(=O)NC[C@H](CO)[NH2+]Cc1ccon1 ZINC001441673861 891426005 /nfs/dbraw/zinc/42/60/05/891426005.db2.gz JEJFAGPLWJWBNU-LLVKDONJSA-N 1 2 284.316 -1.280 20 0 CAADLO CO[C@@H](C)C(=O)NC[C@H](CO)[NH2+]Cc1ncnn1C ZINC001441673085 891426027 /nfs/dbraw/zinc/42/60/27/891426027.db2.gz MGIKAXPLLPSNMK-DTWKUNHWSA-N 1 2 271.321 -1.583 20 0 CAADLO Cc1ocnc1C(=O)NC[C@H](CO)[NH2+]Cc1cn(C)nn1 ZINC001441670586 891426185 /nfs/dbraw/zinc/42/61/85/891426185.db2.gz INKCTSGOFLRESB-SNVBAGLBSA-N 1 2 294.315 -1.008 20 0 CAADLO Cc1cc(C(=O)NC[C@H](CO)[NH2+]Cc2ncnn2C)no1 ZINC001441669304 891426852 /nfs/dbraw/zinc/42/68/52/891426852.db2.gz PGEMJBWKKBVNNS-SECBINFHSA-N 1 2 294.315 -1.008 20 0 CAADLO Cc1nnc(C[NH2+][C@H](CO)CNC(=O)c2cnccn2)[nH]1 ZINC001441675891 891427788 /nfs/dbraw/zinc/42/77/88/891427788.db2.gz RBBFDUBZBOHZHK-VIFPVBQESA-N 1 2 291.315 -1.216 20 0 CAADLO Cc1cc(C(=O)NC[C@@H](CO)[NH2+]Cc2cnn(C)n2)no1 ZINC001441669476 891428170 /nfs/dbraw/zinc/42/81/70/891428170.db2.gz PPMLVFCUHGVJDM-JTQLQIEISA-N 1 2 294.315 -1.008 20 0 CAADLO Cn1cc(C[NH2+][C@@H](CO)CNC(=O)[C@H]2CCC(=O)N2)nn1 ZINC001441678803 891429313 /nfs/dbraw/zinc/42/93/13/891429313.db2.gz IKQHAINDRXYDFH-NXEZZACHSA-N 1 2 296.331 -2.340 20 0 CAADLO Cn1nnnc1C[NH2+][C@H](CO)CNC(=O)CC(C)(C)O ZINC001441693213 891429905 /nfs/dbraw/zinc/42/99/05/891429905.db2.gz GEOWTZFEWUMLBI-QMMMGPOBSA-N 1 2 286.336 -2.062 20 0 CAADLO Cc1nnc(C[NH2+][C@H](CO)CNC(=O)c2cnnn2C)[nH]1 ZINC001441697893 891434263 /nfs/dbraw/zinc/43/42/63/891434263.db2.gz NDVAFORVTGPYHK-QMMMGPOBSA-N 1 2 294.319 -1.878 20 0 CAADLO Cc1c[nH]nc1C(=O)NC[C@H](CO)[NH2+]Cc1cn(C)nn1 ZINC001441710347 891436124 /nfs/dbraw/zinc/43/61/24/891436124.db2.gz YEGYQIIPVVXNKL-SNVBAGLBSA-N 1 2 293.331 -1.273 20 0 CAADLO Cc1c[nH]nc1C(=O)NC[C@@H](CO)[NH2+]Cc1cn(C)nn1 ZINC001441710336 891436655 /nfs/dbraw/zinc/43/66/55/891436655.db2.gz YEGYQIIPVVXNKL-JTQLQIEISA-N 1 2 293.331 -1.273 20 0 CAADLO Cc1cc(C[NH2+][C@@H](CO)CNC(=O)c2cn[nH]n2)ncn1 ZINC001441715450 891436946 /nfs/dbraw/zinc/43/69/46/891436946.db2.gz RAHSJFDGDLSTHZ-SNVBAGLBSA-N 1 2 291.315 -1.216 20 0 CAADLO Cc1cc(C[NH2+][C@@H](CO)CNC(=O)c2cnn[nH]2)ncn1 ZINC001441715450 891436959 /nfs/dbraw/zinc/43/69/59/891436959.db2.gz RAHSJFDGDLSTHZ-SNVBAGLBSA-N 1 2 291.315 -1.216 20 0 CAADLO Cc1n[nH]cc1C(=O)NC[C@H](CO)[NH2+]Cc1cn(C)nn1 ZINC001441721071 891440832 /nfs/dbraw/zinc/44/08/32/891440832.db2.gz FVVDGFNCEIYBJJ-SNVBAGLBSA-N 1 2 293.331 -1.273 20 0 CAADLO Cn1ncnc1C[NH2+][C@@H](CO)CNC(=O)Cc1ncc[nH]1 ZINC001441765070 891448301 /nfs/dbraw/zinc/44/83/01/891448301.db2.gz METXDNBMXRSRGD-SECBINFHSA-N 1 2 293.331 -1.652 20 0 CAADLO CO[C@H](C)C(=O)NC[C@@H](C)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001441791392 891454172 /nfs/dbraw/zinc/45/41/72/891454172.db2.gz MPXRATJXKJWREI-HTQZYQBOSA-N 1 2 271.321 -1.262 20 0 CAADLO Cc1noc(C[NH2+]C[C@H](O)CN(C)C(=O)c2cnon2)n1 ZINC001442018988 891475365 /nfs/dbraw/zinc/47/53/65/891475365.db2.gz IJUICDHUMTVORA-QMMMGPOBSA-N 1 2 296.287 -1.016 20 0 CAADLO Cc1noc(C[NH2+]C[C@@H](O)CN(C)C(=O)c2nc[nH]n2)n1 ZINC001442029536 891476624 /nfs/dbraw/zinc/47/66/24/891476624.db2.gz ZOHQTAYWEHPVAM-MRVPVSSYSA-N 1 2 295.303 -1.281 20 0 CAADLO COCC[N@H+](CCNC(=O)c1cncn1C)[C@H](C)C(N)=O ZINC001442177856 891483013 /nfs/dbraw/zinc/48/30/13/891483013.db2.gz HPTLYGDOJSKPCY-SNVBAGLBSA-N 1 2 297.359 -1.028 20 0 CAADLO COCC[N@@H+](CCNC(=O)c1cncn1C)[C@H](C)C(N)=O ZINC001442177856 891483025 /nfs/dbraw/zinc/48/30/25/891483025.db2.gz HPTLYGDOJSKPCY-SNVBAGLBSA-N 1 2 297.359 -1.028 20 0 CAADLO CC(C)N(CC[N@H+](C)CC(N)=O)C(=O)Cn1ncnn1 ZINC001442104183 891483832 /nfs/dbraw/zinc/48/38/32/891483832.db2.gz KFLRMSWHANEREJ-UHFFFAOYSA-N 1 2 283.336 -1.673 20 0 CAADLO CC(C)N(CC[N@@H+](C)CC(N)=O)C(=O)Cn1ncnn1 ZINC001442104183 891483835 /nfs/dbraw/zinc/48/38/35/891483835.db2.gz KFLRMSWHANEREJ-UHFFFAOYSA-N 1 2 283.336 -1.673 20 0 CAADLO COCC[N@H+](CCNC(=O)[C@]1(C)CCOC1)CC(N)=O ZINC001442181130 891485165 /nfs/dbraw/zinc/48/51/65/891485165.db2.gz CZLXSBZNILSGMB-CYBMUJFWSA-N 1 2 287.360 -1.037 20 0 CAADLO COCC[N@@H+](CCNC(=O)[C@]1(C)CCOC1)CC(N)=O ZINC001442181130 891485172 /nfs/dbraw/zinc/48/51/72/891485172.db2.gz CZLXSBZNILSGMB-CYBMUJFWSA-N 1 2 287.360 -1.037 20 0 CAADLO C[C@H](CC(=O)NCC[N@H+](C)CC(=O)N(C)C)NC(N)=O ZINC001442402919 891489644 /nfs/dbraw/zinc/48/96/44/891489644.db2.gz DEFHRRXTOGCMST-SECBINFHSA-N 1 2 287.364 -1.431 20 0 CAADLO C[C@H](CC(=O)NCC[N@@H+](C)CC(=O)N(C)C)NC(N)=O ZINC001442402919 891489653 /nfs/dbraw/zinc/48/96/53/891489653.db2.gz DEFHRRXTOGCMST-SECBINFHSA-N 1 2 287.364 -1.431 20 0 CAADLO Cc1nnc(CC(=O)NCC[N@@H+](C)CC(=O)N(C)C)[nH]1 ZINC001442408510 891490304 /nfs/dbraw/zinc/49/03/04/891490304.db2.gz VUERHOZHKTVTAS-UHFFFAOYSA-N 1 2 282.348 -1.208 20 0 CAADLO Cc1nnc(CC(=O)NCC[N@H+](C)CC(=O)N(C)C)[nH]1 ZINC001442408510 891490314 /nfs/dbraw/zinc/49/03/14/891490314.db2.gz VUERHOZHKTVTAS-UHFFFAOYSA-N 1 2 282.348 -1.208 20 0 CAADLO Cn1nncc1C(=O)NCC[N@@H+](C)Cc1nc(=O)n(C)[nH]1 ZINC001442395584 891491686 /nfs/dbraw/zinc/49/16/86/891491686.db2.gz PMSQAJOLMGMOIB-UHFFFAOYSA-N 1 2 294.319 -1.901 20 0 CAADLO Cn1nncc1C(=O)NCC[N@H+](C)Cc1nc(=O)n(C)[nH]1 ZINC001442395584 891491695 /nfs/dbraw/zinc/49/16/95/891491695.db2.gz PMSQAJOLMGMOIB-UHFFFAOYSA-N 1 2 294.319 -1.901 20 0 CAADLO C[N@H+](CCNC(=O)Cn1ncnn1)CC(=O)N1CCCC1 ZINC001442402769 891491863 /nfs/dbraw/zinc/49/18/63/891491863.db2.gz WEKUSMVMFALGFK-UHFFFAOYSA-N 1 2 295.347 -1.657 20 0 CAADLO C[N@@H+](CCNC(=O)Cn1ncnn1)CC(=O)N1CCCC1 ZINC001442402769 891491871 /nfs/dbraw/zinc/49/18/71/891491871.db2.gz WEKUSMVMFALGFK-UHFFFAOYSA-N 1 2 295.347 -1.657 20 0 CAADLO CC(C)[C@@H](O)C(=O)NCC[N@H+](C)Cc1nc(=O)n(C)[nH]1 ZINC001442391010 891492797 /nfs/dbraw/zinc/49/27/97/891492797.db2.gz VQYBZVHWULISPQ-SNVBAGLBSA-N 1 2 285.348 -1.327 20 0 CAADLO CC(C)[C@@H](O)C(=O)NCC[N@@H+](C)Cc1nc(=O)n(C)[nH]1 ZINC001442391010 891492809 /nfs/dbraw/zinc/49/28/09/891492809.db2.gz VQYBZVHWULISPQ-SNVBAGLBSA-N 1 2 285.348 -1.327 20 0 CAADLO CCCNC(=O)C[N@H+](C)CCNC(=O)[C@@H]1COC(=O)N1 ZINC001442391520 891493083 /nfs/dbraw/zinc/49/30/83/891493083.db2.gz XWTNRGHBLJPFPQ-VIFPVBQESA-N 1 2 286.332 -1.331 20 0 CAADLO CCCNC(=O)C[N@@H+](C)CCNC(=O)[C@@H]1COC(=O)N1 ZINC001442391520 891493092 /nfs/dbraw/zinc/49/30/92/891493092.db2.gz XWTNRGHBLJPFPQ-VIFPVBQESA-N 1 2 286.332 -1.331 20 0 CAADLO C[N@H+](CCNC(=O)c1nnn(C(C)(C)C)n1)CC(N)=O ZINC001442413086 891494479 /nfs/dbraw/zinc/49/44/79/891494479.db2.gz LSKBXMQIOXHJSB-UHFFFAOYSA-N 1 2 283.336 -1.425 20 0 CAADLO C[N@@H+](CCNC(=O)c1nnn(C(C)(C)C)n1)CC(N)=O ZINC001442413086 891494490 /nfs/dbraw/zinc/49/44/90/891494490.db2.gz LSKBXMQIOXHJSB-UHFFFAOYSA-N 1 2 283.336 -1.425 20 0 CAADLO C[N@H+](CCNC(=O)CNC(=O)c1ccncc1)CC(N)=O ZINC001442420749 891494915 /nfs/dbraw/zinc/49/49/15/891494915.db2.gz YXQINAIPMCUSHT-UHFFFAOYSA-N 1 2 293.327 -1.655 20 0 CAADLO C[N@@H+](CCNC(=O)CNC(=O)c1ccncc1)CC(N)=O ZINC001442420749 891494918 /nfs/dbraw/zinc/49/49/18/891494918.db2.gz YXQINAIPMCUSHT-UHFFFAOYSA-N 1 2 293.327 -1.655 20 0 CAADLO C[N@H+](CCNC(=O)C[C@@H]1CCCC(=O)N1)CC(N)=O ZINC001442475284 891494991 /nfs/dbraw/zinc/49/49/91/891494991.db2.gz VBNPTQXUNDIMJI-VIFPVBQESA-N 1 2 270.333 -1.422 20 0 CAADLO C[N@@H+](CCNC(=O)C[C@@H]1CCCC(=O)N1)CC(N)=O ZINC001442475284 891494998 /nfs/dbraw/zinc/49/49/98/891494998.db2.gz VBNPTQXUNDIMJI-VIFPVBQESA-N 1 2 270.333 -1.422 20 0 CAADLO CNC(=O)C[N@H+](C)CCNC(=O)[C@H](OC)c1cnn(C)c1 ZINC001442487191 891495021 /nfs/dbraw/zinc/49/50/21/891495021.db2.gz KXSJMHMURMYHDS-GFCCVEGCSA-N 1 2 297.359 -1.098 20 0 CAADLO CNC(=O)C[N@@H+](C)CCNC(=O)[C@H](OC)c1cnn(C)c1 ZINC001442487191 891495027 /nfs/dbraw/zinc/49/50/27/891495027.db2.gz KXSJMHMURMYHDS-GFCCVEGCSA-N 1 2 297.359 -1.098 20 0 CAADLO C[N@H+](CCNC(=O)[C@H]1CC[C@@H]1C(N)=O)CC(=O)N1CCC1 ZINC001442485967 891495278 /nfs/dbraw/zinc/49/52/78/891495278.db2.gz HXCGIXCPLIQURN-QWRGUYRKSA-N 1 2 296.371 -1.222 20 0 CAADLO C[N@@H+](CCNC(=O)[C@H]1CC[C@@H]1C(N)=O)CC(=O)N1CCC1 ZINC001442485967 891495283 /nfs/dbraw/zinc/49/52/83/891495283.db2.gz HXCGIXCPLIQURN-QWRGUYRKSA-N 1 2 296.371 -1.222 20 0 CAADLO C[N@H+](CCNC(=O)[C@@H]1CC[C@H]1C(N)=O)CC(=O)N1CCC1 ZINC001442485957 891496387 /nfs/dbraw/zinc/49/63/87/891496387.db2.gz HXCGIXCPLIQURN-GHMZBOCLSA-N 1 2 296.371 -1.222 20 0 CAADLO C[N@@H+](CCNC(=O)[C@@H]1CC[C@H]1C(N)=O)CC(=O)N1CCC1 ZINC001442485957 891496394 /nfs/dbraw/zinc/49/63/94/891496394.db2.gz HXCGIXCPLIQURN-GHMZBOCLSA-N 1 2 296.371 -1.222 20 0 CAADLO Cn1nnc(C(=O)NCC[N@H+](C)CC(=O)NC2CC2)n1 ZINC001442487132 891496544 /nfs/dbraw/zinc/49/65/44/891496544.db2.gz MWKGTEGPGSPUNT-UHFFFAOYSA-N 1 2 281.320 -1.850 20 0 CAADLO Cn1nnc(C(=O)NCC[N@@H+](C)CC(=O)NC2CC2)n1 ZINC001442487132 891496550 /nfs/dbraw/zinc/49/65/50/891496550.db2.gz MWKGTEGPGSPUNT-UHFFFAOYSA-N 1 2 281.320 -1.850 20 0 CAADLO C[N@H+](CCNC(=O)[C@H]1CC[C@H]1C(N)=O)CC(=O)N1CCC1 ZINC001442485962 891496773 /nfs/dbraw/zinc/49/67/73/891496773.db2.gz HXCGIXCPLIQURN-MNOVXSKESA-N 1 2 296.371 -1.222 20 0 CAADLO C[N@@H+](CCNC(=O)[C@H]1CC[C@H]1C(N)=O)CC(=O)N1CCC1 ZINC001442485962 891496778 /nfs/dbraw/zinc/49/67/78/891496778.db2.gz HXCGIXCPLIQURN-MNOVXSKESA-N 1 2 296.371 -1.222 20 0 CAADLO CC(C)NC(=O)C[N@H+](C)CCNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001442492945 891497074 /nfs/dbraw/zinc/49/70/74/891497074.db2.gz XVCPGXSAMOUXBE-SNVBAGLBSA-N 1 2 299.375 -1.417 20 0 CAADLO CC(C)NC(=O)C[N@@H+](C)CCNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001442492945 891497079 /nfs/dbraw/zinc/49/70/79/891497079.db2.gz XVCPGXSAMOUXBE-SNVBAGLBSA-N 1 2 299.375 -1.417 20 0 CAADLO Cn1[nH]c(C[N@H+](C)CCNC(=O)CCNC(N)=O)nc1=O ZINC001442587981 891498437 /nfs/dbraw/zinc/49/84/37/891498437.db2.gz BQXUBRFCMUOQFV-UHFFFAOYSA-N 1 2 299.335 -2.285 20 0 CAADLO Cn1[nH]c(C[N@@H+](C)CCNC(=O)CCNC(N)=O)nc1=O ZINC001442587981 891498441 /nfs/dbraw/zinc/49/84/41/891498441.db2.gz BQXUBRFCMUOQFV-UHFFFAOYSA-N 1 2 299.335 -2.285 20 0 CAADLO CNC(=O)C[N@H+](C)CCNC(=O)c1cnc(OC)nc1 ZINC001442568436 891498583 /nfs/dbraw/zinc/49/85/83/891498583.db2.gz LJWUSDUIYRHOQW-UHFFFAOYSA-N 1 2 281.316 -1.107 20 0 CAADLO CNC(=O)C[N@@H+](C)CCNC(=O)c1cnc(OC)nc1 ZINC001442568436 891498586 /nfs/dbraw/zinc/49/85/86/891498586.db2.gz LJWUSDUIYRHOQW-UHFFFAOYSA-N 1 2 281.316 -1.107 20 0 CAADLO Cc1ccn(CC(=O)NCC[N@@H+](C)CC(N)=O)c(=O)c1 ZINC001442540341 891498768 /nfs/dbraw/zinc/49/87/68/891498768.db2.gz UVRYZLAPUINTTC-UHFFFAOYSA-N 1 2 280.328 -1.310 20 0 CAADLO Cc1ccn(CC(=O)NCC[N@H+](C)CC(N)=O)c(=O)c1 ZINC001442540341 891498777 /nfs/dbraw/zinc/49/87/77/891498777.db2.gz UVRYZLAPUINTTC-UHFFFAOYSA-N 1 2 280.328 -1.310 20 0 CAADLO CC(=O)N1CC[C@](C)(C(=O)NCC[N@@H+](C)CC(N)=O)C1 ZINC001442580006 891498951 /nfs/dbraw/zinc/49/89/51/891498951.db2.gz TUFTXOWWRSNFIQ-ZDUSSCGKSA-N 1 2 284.360 -1.222 20 0 CAADLO CC(=O)N1CC[C@](C)(C(=O)NCC[N@H+](C)CC(N)=O)C1 ZINC001442580006 891498964 /nfs/dbraw/zinc/49/89/64/891498964.db2.gz TUFTXOWWRSNFIQ-ZDUSSCGKSA-N 1 2 284.360 -1.222 20 0 CAADLO Cn1nnc2c1nccc2C(=O)NCC[N@H+](C)CC(N)=O ZINC001442513736 891499862 /nfs/dbraw/zinc/49/98/62/891499862.db2.gz ZWFZRONASGBIGQ-UHFFFAOYSA-N 1 2 291.315 -1.490 20 0 CAADLO Cn1nnc2c1nccc2C(=O)NCC[N@@H+](C)CC(N)=O ZINC001442513736 891499871 /nfs/dbraw/zinc/49/98/71/891499871.db2.gz ZWFZRONASGBIGQ-UHFFFAOYSA-N 1 2 291.315 -1.490 20 0 CAADLO C[N@H+](CCNC(=O)Cc1c[nH]cn1)CC(=O)NC(N)=O ZINC001442532316 891499900 /nfs/dbraw/zinc/49/99/00/891499900.db2.gz JOOQVBCQXXXUQX-UHFFFAOYSA-N 1 2 282.304 -1.805 20 0 CAADLO C[N@@H+](CCNC(=O)Cc1c[nH]cn1)CC(=O)NC(N)=O ZINC001442532316 891499905 /nfs/dbraw/zinc/49/99/05/891499905.db2.gz JOOQVBCQXXXUQX-UHFFFAOYSA-N 1 2 282.304 -1.805 20 0 CAADLO C[N@H+](CCNC(=O)[C@H]1CCC[C@@H](C(N)=O)C1)CC(N)=O ZINC001442538582 891500300 /nfs/dbraw/zinc/50/03/00/891500300.db2.gz QMRITXSUVKLTFA-ZJUUUORDSA-N 1 2 284.360 -1.189 20 0 CAADLO C[N@@H+](CCNC(=O)[C@H]1CCC[C@@H](C(N)=O)C1)CC(N)=O ZINC001442538582 891500311 /nfs/dbraw/zinc/50/03/11/891500311.db2.gz QMRITXSUVKLTFA-ZJUUUORDSA-N 1 2 284.360 -1.189 20 0 CAADLO C[N@H+](CCNC(=O)c1cnc2cccnn21)CC(N)=O ZINC001442536239 891500729 /nfs/dbraw/zinc/50/07/29/891500729.db2.gz KHUXJQPCTDKUPB-UHFFFAOYSA-N 1 2 276.300 -1.124 20 0 CAADLO C[N@@H+](CCNC(=O)c1cnc2cccnn21)CC(N)=O ZINC001442536239 891500736 /nfs/dbraw/zinc/50/07/36/891500736.db2.gz KHUXJQPCTDKUPB-UHFFFAOYSA-N 1 2 276.300 -1.124 20 0 CAADLO Cn1ncc(C(=O)NCC[N@H+](C)CC(=O)N2CCC2)n1 ZINC001442557452 891501354 /nfs/dbraw/zinc/50/13/54/891501354.db2.gz VLFWARXYXDIBAZ-UHFFFAOYSA-N 1 2 280.332 -1.291 20 0 CAADLO Cn1ncc(C(=O)NCC[N@@H+](C)CC(=O)N2CCC2)n1 ZINC001442557452 891501361 /nfs/dbraw/zinc/50/13/61/891501361.db2.gz VLFWARXYXDIBAZ-UHFFFAOYSA-N 1 2 280.332 -1.291 20 0 CAADLO CC[C@@H](C(=O)NCC[N@H+](C)CC(N)=O)N1CCCC1=O ZINC001442615284 891505621 /nfs/dbraw/zinc/50/56/21/891505621.db2.gz MVBGZAKOXWTMFK-JTQLQIEISA-N 1 2 284.360 -1.079 20 0 CAADLO CC[C@@H](C(=O)NCC[N@@H+](C)CC(N)=O)N1CCCC1=O ZINC001442615284 891505633 /nfs/dbraw/zinc/50/56/33/891505633.db2.gz MVBGZAKOXWTMFK-JTQLQIEISA-N 1 2 284.360 -1.079 20 0 CAADLO C[C@H](O)C[N@@H+]1CCC[C@@H]1CNC(=O)CS(C)(=O)=O ZINC001442777120 891506890 /nfs/dbraw/zinc/50/68/90/891506890.db2.gz HXYRNESDNLGWRH-VHSXEESVSA-N 1 2 278.374 -1.008 20 0 CAADLO C[C@H](O)C[N@H+]1CCC[C@@H]1CNC(=O)CS(C)(=O)=O ZINC001442777120 891506898 /nfs/dbraw/zinc/50/68/98/891506898.db2.gz HXYRNESDNLGWRH-VHSXEESVSA-N 1 2 278.374 -1.008 20 0 CAADLO COC[C@H](OC)C(=O)NC[C@H]1CCC[N@@H+]1CC(N)=O ZINC001442809014 891508868 /nfs/dbraw/zinc/50/88/68/891508868.db2.gz BRZJZKZLRVPQMC-ZJUUUORDSA-N 1 2 273.333 -1.286 20 0 CAADLO COC[C@H](OC)C(=O)NC[C@H]1CCC[N@H+]1CC(N)=O ZINC001442809014 891508874 /nfs/dbraw/zinc/50/88/74/891508874.db2.gz BRZJZKZLRVPQMC-ZJUUUORDSA-N 1 2 273.333 -1.286 20 0 CAADLO C[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)N(C)C(=O)CNC(N)=O ZINC001442913062 891511411 /nfs/dbraw/zinc/51/14/11/891511411.db2.gz RPNHUPAMYGVEMR-QMMMGPOBSA-N 1 2 296.331 -1.416 20 0 CAADLO C[C@H](CNC(=O)Cc1[nH]cc[nH+]1)N(C)C(=O)CNC(N)=O ZINC001442913060 891512681 /nfs/dbraw/zinc/51/26/81/891512681.db2.gz RPNHUPAMYGVEMR-MRVPVSSYSA-N 1 2 296.331 -1.416 20 0 CAADLO C[C@H](C(N)=O)[N@H+](CCNC(=O)Cc1nnc[nH]1)C1CC1 ZINC001443046821 891516642 /nfs/dbraw/zinc/51/66/42/891516642.db2.gz XATGZZQLOOCIDW-MRVPVSSYSA-N 1 2 280.332 -1.198 20 0 CAADLO C[C@H](C(N)=O)[N@@H+](CCNC(=O)Cc1nnc[nH]1)C1CC1 ZINC001443046821 891516648 /nfs/dbraw/zinc/51/66/48/891516648.db2.gz XATGZZQLOOCIDW-MRVPVSSYSA-N 1 2 280.332 -1.198 20 0 CAADLO C[N@H+](CC(=O)NCc1nn[nH]n1)[C@@H]1CCC[C@H]1O ZINC001443334363 891521493 /nfs/dbraw/zinc/52/14/93/891521493.db2.gz KACRNNGZUQZGEL-HTQZYQBOSA-N 1 2 254.294 -1.339 20 0 CAADLO C[N@@H+](CC(=O)NCc1nn[nH]n1)[C@@H]1CCC[C@H]1O ZINC001443334363 891521500 /nfs/dbraw/zinc/52/15/00/891521500.db2.gz KACRNNGZUQZGEL-HTQZYQBOSA-N 1 2 254.294 -1.339 20 0 CAADLO C[C@H](O)C[NH+]1CC(NC(=O)CNC(=O)N2CCCC2)C1 ZINC001443471425 891524559 /nfs/dbraw/zinc/52/45/59/891524559.db2.gz APJOWLNQOGPRQT-JTQLQIEISA-N 1 2 284.360 -1.027 20 0 CAADLO C[C@@H](O)C[NH+]1CC(NC(=O)CNC(=O)N2CCCC2)C1 ZINC001443471426 891524792 /nfs/dbraw/zinc/52/47/92/891524792.db2.gz APJOWLNQOGPRQT-SNVBAGLBSA-N 1 2 284.360 -1.027 20 0 CAADLO CNC(=O)NCCC(=O)NCC1C[NH+]([C@H](C)C(N)=O)C1 ZINC001443577616 891530250 /nfs/dbraw/zinc/53/02/50/891530250.db2.gz FHSGQBODBASWFH-MRVPVSSYSA-N 1 2 285.348 -1.773 20 0 CAADLO COCC(=O)NCC1C[NH+](CC(=O)N2CCOCC2)C1 ZINC001443555326 891530503 /nfs/dbraw/zinc/53/05/03/891530503.db2.gz LRNIHYOMDGWKOJ-UHFFFAOYSA-N 1 2 285.344 -1.460 20 0 CAADLO CNC(=O)C[NH+]1CC(CNC(=O)CN(C)C(C)=O)C1 ZINC001443563186 891531367 /nfs/dbraw/zinc/53/13/67/891531367.db2.gz PMIZQEZXMXQTEB-UHFFFAOYSA-N 1 2 270.333 -1.741 20 0 CAADLO CCNC(=O)C[NH+]1CC(CNC(=O)[C@H]2COC(=O)N2)C1 ZINC001443584367 891531492 /nfs/dbraw/zinc/53/14/92/891531492.db2.gz SLAFUSGNLZBJGY-SECBINFHSA-N 1 2 284.316 -1.721 20 0 CAADLO C[C@H]1COCC[N@@H+]1CCNC(=O)Cn1nnc(N)n1 ZINC001443584886 891531546 /nfs/dbraw/zinc/53/15/46/891531546.db2.gz PVTQEPGZPKCKBU-QMMMGPOBSA-N 1 2 269.309 -1.908 20 0 CAADLO C[C@H]1COCC[N@H+]1CCNC(=O)Cn1nnc(N)n1 ZINC001443584886 891531555 /nfs/dbraw/zinc/53/15/55/891531555.db2.gz PVTQEPGZPKCKBU-QMMMGPOBSA-N 1 2 269.309 -1.908 20 0 CAADLO CNC(=O)NCCC(=O)NCC1C[NH+]([C@@H](C)C(N)=O)C1 ZINC001443577621 891531932 /nfs/dbraw/zinc/53/19/32/891531932.db2.gz FHSGQBODBASWFH-QMMMGPOBSA-N 1 2 285.348 -1.773 20 0 CAADLO C[C@H]1OC(=O)N[C@@H]1C(=O)N1CCC[N@H+](CC(N)=O)CC1 ZINC001443566275 891532136 /nfs/dbraw/zinc/53/21/36/891532136.db2.gz FZCVHTWQUMUMJC-SCZZXKLOSA-N 1 2 284.316 -1.497 20 0 CAADLO C[C@H]1OC(=O)N[C@@H]1C(=O)N1CCC[N@@H+](CC(N)=O)CC1 ZINC001443566275 891532143 /nfs/dbraw/zinc/53/21/43/891532143.db2.gz FZCVHTWQUMUMJC-SCZZXKLOSA-N 1 2 284.316 -1.497 20 0 CAADLO Cn1nccc1C[NH+]1CC(CNC(=O)Cn2ncnn2)C1 ZINC001443578736 891532386 /nfs/dbraw/zinc/53/23/86/891532386.db2.gz MALDXULFZRERAO-UHFFFAOYSA-N 1 2 290.331 -1.345 20 0 CAADLO CCNC(=O)C[NH+]1CC(CNC(=O)CN(C)C(C)=O)C1 ZINC001443561020 891532448 /nfs/dbraw/zinc/53/24/48/891532448.db2.gz CTRXGFFLJMOYPP-UHFFFAOYSA-N 1 2 284.360 -1.351 20 0 CAADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)Cn1nnc(N)n1 ZINC001443584875 891532495 /nfs/dbraw/zinc/53/24/95/891532495.db2.gz PVTQEPGZPKCKBU-MRVPVSSYSA-N 1 2 269.309 -1.908 20 0 CAADLO C[C@@H]1COCC[N@H+]1CCNC(=O)Cn1nnc(N)n1 ZINC001443584875 891532504 /nfs/dbraw/zinc/53/25/04/891532504.db2.gz PVTQEPGZPKCKBU-MRVPVSSYSA-N 1 2 269.309 -1.908 20 0 CAADLO C[C@H](C(=O)NCC1C[NH+](CCCO)C1)S(C)(=O)=O ZINC001443604796 891533435 /nfs/dbraw/zinc/53/34/35/891533435.db2.gz XJLDJLQBOMMWQU-SECBINFHSA-N 1 2 278.374 -1.150 20 0 CAADLO C[C@H](C(N)=O)[NH+]1CC(CNC(=O)CCc2cnn(C)n2)C1 ZINC001443618960 891534125 /nfs/dbraw/zinc/53/41/25/891534125.db2.gz YTMCEIUAXRGSCL-SECBINFHSA-N 1 2 294.359 -1.331 20 0 CAADLO CO[C@@H](C(=O)NCC1C[NH+](CC(N)=O)C1)[C@H]1CCOC1 ZINC001443613141 891534273 /nfs/dbraw/zinc/53/42/73/891534273.db2.gz AAGBWVPSJNZQBO-CMPLNLGQSA-N 1 2 285.344 -1.429 20 0 CAADLO CNC(=O)C[NH+]1CC(CNC(=O)CN2CCCCC2=O)C1 ZINC001443601650 891534443 /nfs/dbraw/zinc/53/44/43/891534443.db2.gz HRJAAUACMQXVDE-UHFFFAOYSA-N 1 2 296.371 -1.207 20 0 CAADLO C[C@H](CC(N)=O)C(=O)NCC1C[NH+](CC(=O)N2CCC2)C1 ZINC001443600087 891534476 /nfs/dbraw/zinc/53/44/76/891534476.db2.gz LYWLBZDRVUWJIV-SNVBAGLBSA-N 1 2 296.371 -1.222 20 0 CAADLO CC(=O)NC(C)(C)C(=O)NCC1C[NH+](CC(N)=O)C1 ZINC001443626770 891535023 /nfs/dbraw/zinc/53/50/23/891535023.db2.gz HLMJUQLLQPHJMH-UHFFFAOYSA-N 1 2 270.333 -1.566 20 0 CAADLO C[C@@H](C(=O)NCC1C[NH+](CCCO)C1)S(C)(=O)=O ZINC001443604798 891535599 /nfs/dbraw/zinc/53/55/99/891535599.db2.gz XJLDJLQBOMMWQU-VIFPVBQESA-N 1 2 278.374 -1.150 20 0 CAADLO CNS(=O)(=O)CC(=O)NCC1C[NH+](CC(N)=O)C1 ZINC001443651141 891535745 /nfs/dbraw/zinc/53/57/45/891535745.db2.gz KNJUZTZEDLEIJD-UHFFFAOYSA-N 1 2 278.334 -2.931 20 0 CAADLO CC(C)c1nnnn1CC(=O)NCC1C[NH+](CC(N)=O)C1 ZINC001443614914 891535932 /nfs/dbraw/zinc/53/59/32/891535932.db2.gz KBOOUFOJQPAGLV-UHFFFAOYSA-N 1 2 295.347 -1.670 20 0 CAADLO C[C@H](C(N)=O)[NH+]1CC(CNC(=O)CCCC(N)=O)C1 ZINC001443663667 891536022 /nfs/dbraw/zinc/53/60/22/891536022.db2.gz GALQXJGBKCYWTP-MRVPVSSYSA-N 1 2 270.333 -1.436 20 0 CAADLO CCNC(=O)C[NH+]1CC(CNC(=O)[C@@H]2CCC(=O)NC2)C1 ZINC001443603894 891536185 /nfs/dbraw/zinc/53/61/85/891536185.db2.gz OGCUBYKZNAIZQX-LLVKDONJSA-N 1 2 296.371 -1.303 20 0 CAADLO C[C@@H](NC(=O)C1(O)COC1)[C@H](C)[NH+]1CCOCC1 ZINC001443683507 891536341 /nfs/dbraw/zinc/53/63/41/891536341.db2.gz ZOLRDNIYKAQRGU-ZJUUUORDSA-N 1 2 258.318 -1.027 20 0 CAADLO C[C@H](NC(=O)[C@@H](CO)NC(N)=O)[C@H](C)[NH+]1CCOCC1 ZINC001443681487 891536499 /nfs/dbraw/zinc/53/64/99/891536499.db2.gz RBYWXUZMXQNZQE-LPEHRKFASA-N 1 2 288.348 -1.759 20 0 CAADLO CO[C@H](C)C(=O)N(C)[C@@H]1CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001443800453 891538951 /nfs/dbraw/zinc/53/89/51/891538951.db2.gz DNVFVHUGMQEROC-RKDXNWHRSA-N 1 2 286.332 -1.251 20 0 CAADLO CO[C@H](C)C(=O)N(C)[C@@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001443800453 891538957 /nfs/dbraw/zinc/53/89/57/891538957.db2.gz DNVFVHUGMQEROC-RKDXNWHRSA-N 1 2 286.332 -1.251 20 0 CAADLO CCN(C(=O)CN(C)C(C)=O)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001443833458 891539581 /nfs/dbraw/zinc/53/95/81/891539581.db2.gz IVHOBZURMJXXAB-NSHDSACASA-N 1 2 284.360 -1.127 20 0 CAADLO CCN(C(=O)CN(C)C(C)=O)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001443833458 891539592 /nfs/dbraw/zinc/53/95/92/891539592.db2.gz IVHOBZURMJXXAB-NSHDSACASA-N 1 2 284.360 -1.127 20 0 CAADLO CO[C@H](C)C(=O)N(C)[C@H]1CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001443800445 891540292 /nfs/dbraw/zinc/54/02/92/891540292.db2.gz DNVFVHUGMQEROC-BDAKNGLRSA-N 1 2 286.332 -1.251 20 0 CAADLO CO[C@H](C)C(=O)N(C)[C@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001443800445 891540297 /nfs/dbraw/zinc/54/02/97/891540297.db2.gz DNVFVHUGMQEROC-BDAKNGLRSA-N 1 2 286.332 -1.251 20 0 CAADLO CC[C@@H](CNC(=O)CNC(=O)NC)[NH2+]Cc1nnn(C)n1 ZINC001443927065 891542031 /nfs/dbraw/zinc/54/20/31/891542031.db2.gz IYKVRVPAVZSEKS-QMMMGPOBSA-N 1 2 298.351 -1.877 20 0 CAADLO COC[C@@H](C)C(=O)NC[C@H](CO)NC(=O)Cc1c[nH]c[nH+]1 ZINC001444102276 891554664 /nfs/dbraw/zinc/55/46/64/891554664.db2.gz GXUKWIYLAMGMGC-MWLCHTKSSA-N 1 2 298.343 -1.172 20 0 CAADLO COC[C@H](C)C(=O)NC[C@H](CO)NC(=O)Cc1c[nH]c[nH+]1 ZINC001444102255 891555386 /nfs/dbraw/zinc/55/53/86/891555386.db2.gz GXUKWIYLAMGMGC-GXSJLCMTSA-N 1 2 298.343 -1.172 20 0 CAADLO NC(=O)Cn1cc(C(=O)NCCc2[nH]cc[nH+]2)nn1 ZINC001444195202 891559804 /nfs/dbraw/zinc/55/98/04/891559804.db2.gz CGVLIIKCIALUTM-UHFFFAOYSA-N 1 2 263.261 -1.541 20 0 CAADLO COCC(=O)N[C@H](CO)CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001444188999 891562135 /nfs/dbraw/zinc/56/21/35/891562135.db2.gz QSUDJKCPJQDGNV-KOLCDFICSA-N 1 2 298.343 -1.172 20 0 CAADLO COCC(=O)N[C@H](CO)CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001444188999 891562147 /nfs/dbraw/zinc/56/21/47/891562147.db2.gz QSUDJKCPJQDGNV-KOLCDFICSA-N 1 2 298.343 -1.172 20 0 CAADLO O=C(Cn1cc[nH+]c1)NC[C@@H](CO)NC(=O)[C@@H]1CCCO1 ZINC001444225613 891562965 /nfs/dbraw/zinc/56/29/65/891562965.db2.gz WRZCIMMTDDBARH-QWRGUYRKSA-N 1 2 296.327 -1.345 20 0 CAADLO CCOCC(=O)N[C@H](CO)CNC(=O)Cc1c[nH+]cn1C ZINC001444245823 891563858 /nfs/dbraw/zinc/56/38/58/891563858.db2.gz FMLPMHUZLTUEFI-JTQLQIEISA-N 1 2 298.343 -1.408 20 0 CAADLO O=C(Cn1cc[nH+]c1)NC[C@H](CO)NC(=O)c1cn[nH]c1 ZINC001444225537 891564430 /nfs/dbraw/zinc/56/44/30/891564430.db2.gz WDWUAJVNEUCLDL-SNVBAGLBSA-N 1 2 292.299 -1.487 20 0 CAADLO O=C(Cn1cc[nH+]c1)NC[C@@H](CO)NC(=O)c1cn[nH]c1 ZINC001444225535 891564888 /nfs/dbraw/zinc/56/48/88/891564888.db2.gz WDWUAJVNEUCLDL-JTQLQIEISA-N 1 2 292.299 -1.487 20 0 CAADLO COCC(=O)N[C@@H](CO)CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001444231890 891565501 /nfs/dbraw/zinc/56/55/01/891565501.db2.gz WROQFFYQUYDAEP-OPRDCNLKSA-N 1 2 296.327 -1.247 20 0 CAADLO COCC(=O)N[C@@H](CO)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001444231890 891565513 /nfs/dbraw/zinc/56/55/13/891565513.db2.gz WROQFFYQUYDAEP-OPRDCNLKSA-N 1 2 296.327 -1.247 20 0 CAADLO O=C(Cc1c[nH]c[nH+]1)NC[C@@H](CO)NC(=O)c1ccn[nH]1 ZINC001444348229 891572918 /nfs/dbraw/zinc/57/29/18/891572918.db2.gz AQGDBCXFUDEEHS-VIFPVBQESA-N 1 2 292.299 -1.418 20 0 CAADLO O=C(Cc1c[nH]c[nH+]1)NC[C@H](CO)NC(=O)c1ccon1 ZINC001444355164 891573851 /nfs/dbraw/zinc/57/38/51/891573851.db2.gz FKLMLGKQFNKARO-SECBINFHSA-N 1 2 293.283 -1.153 20 0 CAADLO O=C(Cc1c[nH]c[nH+]1)NC[C@@H](CO)NC(=O)c1ncc[nH]1 ZINC001444367058 891574541 /nfs/dbraw/zinc/57/45/41/891574541.db2.gz SDZAVPRVAYKKPG-VIFPVBQESA-N 1 2 292.299 -1.418 20 0 CAADLO Cn1cc(CC(=O)NC[C@H]2C[N@H+](CCO)CCO2)cn1 ZINC001444451641 891577118 /nfs/dbraw/zinc/57/71/18/891577118.db2.gz XOMCJKFTSFTJQB-LBPRGKRZSA-N 1 2 282.344 -1.228 20 0 CAADLO Cn1cc(CC(=O)NC[C@H]2C[N@@H+](CCO)CCO2)cn1 ZINC001444451641 891577130 /nfs/dbraw/zinc/57/71/30/891577130.db2.gz XOMCJKFTSFTJQB-LBPRGKRZSA-N 1 2 282.344 -1.228 20 0 CAADLO O=C(CO[C@H]1CCOC1)NC[C@H]1C[N@H+](CCO)CCO1 ZINC001444454005 891577148 /nfs/dbraw/zinc/57/71/48/891577148.db2.gz IUSACFWZFKNNHW-RYUDHWBXSA-N 1 2 288.344 -1.399 20 0 CAADLO O=C(CO[C@H]1CCOC1)NC[C@H]1C[N@@H+](CCO)CCO1 ZINC001444454005 891577155 /nfs/dbraw/zinc/57/71/55/891577155.db2.gz IUSACFWZFKNNHW-RYUDHWBXSA-N 1 2 288.344 -1.399 20 0 CAADLO CC(=O)NC(C)(C)C(=O)NC[C@@H]1C[N@H+](CCO)CCO1 ZINC001444469517 891577628 /nfs/dbraw/zinc/57/76/28/891577628.db2.gz MTYUGTUPVSBRAP-LLVKDONJSA-N 1 2 287.360 -1.290 20 0 CAADLO CC(=O)NC(C)(C)C(=O)NC[C@@H]1C[N@@H+](CCO)CCO1 ZINC001444469517 891577633 /nfs/dbraw/zinc/57/76/33/891577633.db2.gz MTYUGTUPVSBRAP-LLVKDONJSA-N 1 2 287.360 -1.290 20 0 CAADLO COCC[N@@H+]1CCO[C@@H](CNC(=O)CNC(=O)OC)C1 ZINC001444433495 891577672 /nfs/dbraw/zinc/57/76/72/891577672.db2.gz FICPJEVRTKCNCI-JTQLQIEISA-N 1 2 289.332 -1.194 20 0 CAADLO COCC[N@H+]1CCO[C@@H](CNC(=O)CNC(=O)OC)C1 ZINC001444433495 891577679 /nfs/dbraw/zinc/57/76/79/891577679.db2.gz FICPJEVRTKCNCI-JTQLQIEISA-N 1 2 289.332 -1.194 20 0 CAADLO Cn1cc(CC(=O)NC[C@@H]2C[N@H+](CCO)CCO2)cn1 ZINC001444451635 891578765 /nfs/dbraw/zinc/57/87/65/891578765.db2.gz XOMCJKFTSFTJQB-GFCCVEGCSA-N 1 2 282.344 -1.228 20 0 CAADLO Cn1cc(CC(=O)NC[C@@H]2C[N@@H+](CCO)CCO2)cn1 ZINC001444451635 891578777 /nfs/dbraw/zinc/57/87/77/891578777.db2.gz XOMCJKFTSFTJQB-GFCCVEGCSA-N 1 2 282.344 -1.228 20 0 CAADLO C[C@H](C[NH2+][C@H]1CCNC1=O)N(C)C(=O)Cc1ncn[nH]1 ZINC001444714231 891587287 /nfs/dbraw/zinc/58/72/87/891587287.db2.gz VIEUFIQFAPQUNF-BDAKNGLRSA-N 1 2 280.332 -1.328 20 0 CAADLO CNC(=O)NCC(=O)N(C)CC[N@H+](C)Cc1cnnn1C ZINC001444983697 891593272 /nfs/dbraw/zinc/59/32/72/891593272.db2.gz CKSVHLXUQDNXMJ-UHFFFAOYSA-N 1 2 297.363 -1.366 20 0 CAADLO CNC(=O)NCC(=O)N(C)CC[N@@H+](C)Cc1cnnn1C ZINC001444983697 891593279 /nfs/dbraw/zinc/59/32/79/891593279.db2.gz CKSVHLXUQDNXMJ-UHFFFAOYSA-N 1 2 297.363 -1.366 20 0 CAADLO CN(CC[N@H+](C)CC(N)=O)C(=O)COCc1ccnn1C ZINC001444994159 891595207 /nfs/dbraw/zinc/59/52/07/891595207.db2.gz NGAMDABDOVIITN-UHFFFAOYSA-N 1 2 297.359 -1.188 20 0 CAADLO CN(CC[N@@H+](C)CC(N)=O)C(=O)COCc1ccnn1C ZINC001444994159 891595217 /nfs/dbraw/zinc/59/52/17/891595217.db2.gz NGAMDABDOVIITN-UHFFFAOYSA-N 1 2 297.359 -1.188 20 0 CAADLO COC[C@H](O)C[N@H+](C)CCN(C)C(=O)CS(C)(=O)=O ZINC001444947442 891595459 /nfs/dbraw/zinc/59/54/59/891595459.db2.gz FEQBCQCXFHWVGE-SNVBAGLBSA-N 1 2 296.389 -1.572 20 0 CAADLO COC[C@H](O)C[N@@H+](C)CCN(C)C(=O)CS(C)(=O)=O ZINC001444947442 891595463 /nfs/dbraw/zinc/59/54/63/891595463.db2.gz FEQBCQCXFHWVGE-SNVBAGLBSA-N 1 2 296.389 -1.572 20 0 CAADLO CN(CC[N@H+](C)CC(=O)NC1CC1)C(=O)[C@@H]1CCC(=O)N1 ZINC001445069152 891595615 /nfs/dbraw/zinc/59/56/15/891595615.db2.gz CQVZWYOIDYLPLG-NSHDSACASA-N 1 2 296.371 -1.066 20 0 CAADLO CN(CC[N@@H+](C)CC(=O)NC1CC1)C(=O)[C@@H]1CCC(=O)N1 ZINC001445069152 891595620 /nfs/dbraw/zinc/59/56/20/891595620.db2.gz CQVZWYOIDYLPLG-NSHDSACASA-N 1 2 296.371 -1.066 20 0 CAADLO CN(CCN(C)C(=O)Cn1cc[nH+]c1)Cc1nnnn1C ZINC001445092172 891597938 /nfs/dbraw/zinc/59/79/38/891597938.db2.gz OLQHPMITXLAOKJ-UHFFFAOYSA-N 1 2 292.347 -1.003 20 0 CAADLO CCC[C@@H](NC(N)=O)C(=O)N(C)CC[N@H+](C)CC(N)=O ZINC001445078669 891599835 /nfs/dbraw/zinc/59/98/35/891599835.db2.gz ZMOUCTRFBLKIBC-SECBINFHSA-N 1 2 287.364 -1.301 20 0 CAADLO CCC[C@@H](NC(N)=O)C(=O)N(C)CC[N@@H+](C)CC(N)=O ZINC001445078669 891599842 /nfs/dbraw/zinc/59/98/42/891599842.db2.gz ZMOUCTRFBLKIBC-SECBINFHSA-N 1 2 287.364 -1.301 20 0 CAADLO Cc1n[nH]c(C(=O)NC[C@H](O)C[NH2+][C@H]2CCNC2=O)c1C ZINC001445145440 891601487 /nfs/dbraw/zinc/60/14/87/891601487.db2.gz CICLAWZWSUNSFO-ZJUUUORDSA-N 1 2 295.343 -1.405 20 0 CAADLO Cc1n[nH]c(C(=O)NC[C@@H](O)C[NH2+][C@H]2CCNC2=O)c1C ZINC001445145435 891602946 /nfs/dbraw/zinc/60/29/46/891602946.db2.gz CICLAWZWSUNSFO-UWVGGRQHSA-N 1 2 295.343 -1.405 20 0 CAADLO Cc1n[nH]c(C(=O)NC[C@@H](O)C[NH2+][C@@H]2CCNC2=O)c1C ZINC001445145438 891603503 /nfs/dbraw/zinc/60/35/03/891603503.db2.gz CICLAWZWSUNSFO-VHSXEESVSA-N 1 2 295.343 -1.405 20 0 CAADLO Cc1nnc(C[NH2+]C[C@@H](O)CNC(=O)[C@H]2CCC(=O)N2)o1 ZINC001445156147 891609459 /nfs/dbraw/zinc/60/94/59/891609459.db2.gz MLUPOSXDUYDQGC-RKDXNWHRSA-N 1 2 297.315 -1.777 20 0 CAADLO Cc1nnc(C[NH2+]C[C@H](O)CNC(=O)[C@H](O)C(C)C)o1 ZINC001445175781 891613287 /nfs/dbraw/zinc/61/32/87/891613287.db2.gz BVZUVLDXOGRYGX-GXSJLCMTSA-N 1 2 286.332 -1.038 20 0 CAADLO Cc1nnc(C[NH2+]C[C@@H](O)CNC(=O)[C@H](O)C(C)C)o1 ZINC001445175787 891613848 /nfs/dbraw/zinc/61/38/48/891613848.db2.gz BVZUVLDXOGRYGX-MWLCHTKSSA-N 1 2 286.332 -1.038 20 0 CAADLO NC(=O)C[NH2+]C[C@H](O)CNC(=O)c1[nH]nc2c1CCCC2 ZINC001445192048 891617698 /nfs/dbraw/zinc/61/76/98/891617698.db2.gz CGDLTNNLXWPLLB-QMMMGPOBSA-N 1 2 295.343 -1.546 20 0 CAADLO Cc1nnc(C[NH2+]C[C@H](O)CNC(=O)Cc2c[nH]cn2)[nH]1 ZINC001445258439 891623643 /nfs/dbraw/zinc/62/36/43/891623643.db2.gz RNPYEZBVMJXCNC-JTQLQIEISA-N 1 2 293.331 -1.354 20 0 CAADLO Cn1ncc(C(=O)NC[C@H](O)C[NH2+]Cc2csnn2)n1 ZINC001445258703 891624381 /nfs/dbraw/zinc/62/43/81/891624381.db2.gz SSNLPOVTAOSUNY-MRVPVSSYSA-N 1 2 297.344 -1.453 20 0 CAADLO COc1cc(C[NH2+]C[C@@H](O)CNC(=O)c2nnc[nH]2)on1 ZINC001445244128 891625964 /nfs/dbraw/zinc/62/59/64/891625964.db2.gz AUJCZWOYXNUAFF-SSDOTTSWSA-N 1 2 296.287 -1.318 20 0 CAADLO COc1cc(C[NH2+]C[C@@H](O)CNC(=O)c2ncn[nH]2)on1 ZINC001445244128 891625972 /nfs/dbraw/zinc/62/59/72/891625972.db2.gz AUJCZWOYXNUAFF-SSDOTTSWSA-N 1 2 296.287 -1.318 20 0 CAADLO COc1cc(C[NH2+]C[C@@H](O)CNC(=O)c2nc[nH]n2)on1 ZINC001445244128 891625980 /nfs/dbraw/zinc/62/59/80/891625980.db2.gz AUJCZWOYXNUAFF-SSDOTTSWSA-N 1 2 296.287 -1.318 20 0 CAADLO C[C@@H](C[NH2+]Cc1cnon1)NC(=O)CS(C)(=O)=O ZINC001445526488 891638929 /nfs/dbraw/zinc/63/89/29/891638929.db2.gz GVKZIXXRXIAUJX-ZETCQYMHSA-N 1 2 276.318 -1.292 20 0 CAADLO CO[C@H](C)C(=O)N[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1O ZINC001445504268 891639758 /nfs/dbraw/zinc/63/97/58/891639758.db2.gz LPWOHCUOMMNXEP-GMTAPVOTSA-N 1 2 296.327 -1.394 20 0 CAADLO Cc1nnc(C[NH2+]C[C@H](C)NC(=O)[C@@H]2CN(C)C(=O)N2)o1 ZINC001445590059 891643904 /nfs/dbraw/zinc/64/39/04/891643904.db2.gz BYFGDUYBSFCZQX-CBAPKCEASA-N 1 2 296.331 -1.004 20 0 CAADLO O=C(CNC(=O)[C@@H]1CCn2cc[nH+]c2C1)NCCO ZINC001445660353 891649298 /nfs/dbraw/zinc/64/92/98/891649298.db2.gz UOSLJVVYBTVNTE-SECBINFHSA-N 1 2 266.301 -1.330 20 0 CAADLO C[C@H](C[N@H+](C)Cc1cnnn1C)NC(=O)[C@H]1C[C@H]1C(N)=O ZINC001445809077 891653868 /nfs/dbraw/zinc/65/38/68/891653868.db2.gz DHLXRGFKLUSBGJ-IEBDPFPHSA-N 1 2 294.359 -1.127 20 0 CAADLO C[C@H](C[N@@H+](C)Cc1cnnn1C)NC(=O)[C@H]1C[C@H]1C(N)=O ZINC001445809077 891653872 /nfs/dbraw/zinc/65/38/72/891653872.db2.gz DHLXRGFKLUSBGJ-IEBDPFPHSA-N 1 2 294.359 -1.127 20 0 CAADLO Cc1nnc(CC(=O)NC[C@H]2CC[N@H+]2CC(=O)N(C)C)[nH]1 ZINC001446038933 891659124 /nfs/dbraw/zinc/65/91/24/891659124.db2.gz KLUBEZQVCABYJH-SNVBAGLBSA-N 1 2 294.359 -1.066 20 0 CAADLO Cc1nnc(CC(=O)NC[C@H]2CC[N@@H+]2CC(=O)N(C)C)[nH]1 ZINC001446038933 891659131 /nfs/dbraw/zinc/65/91/31/891659131.db2.gz KLUBEZQVCABYJH-SNVBAGLBSA-N 1 2 294.359 -1.066 20 0 CAADLO CC(=O)NCC(=O)NC[C@@H]1CC[N@@H+]1CC(=O)N1CCC1 ZINC001446018122 891659527 /nfs/dbraw/zinc/65/95/27/891659527.db2.gz VJYQWCQSJZWNTA-NSHDSACASA-N 1 2 282.344 -1.455 20 0 CAADLO CC(=O)NCC(=O)NC[C@@H]1CC[N@H+]1CC(=O)N1CCC1 ZINC001446018122 891659530 /nfs/dbraw/zinc/65/95/30/891659530.db2.gz VJYQWCQSJZWNTA-NSHDSACASA-N 1 2 282.344 -1.455 20 0 CAADLO CC(=O)NCC(=O)NC[C@H]1CC[N@@H+]1CC(=O)N1CCC1 ZINC001446018121 891659639 /nfs/dbraw/zinc/65/96/39/891659639.db2.gz VJYQWCQSJZWNTA-LLVKDONJSA-N 1 2 282.344 -1.455 20 0 CAADLO CC(=O)NCC(=O)NC[C@H]1CC[N@H+]1CC(=O)N1CCC1 ZINC001446018121 891659644 /nfs/dbraw/zinc/65/96/44/891659644.db2.gz VJYQWCQSJZWNTA-LLVKDONJSA-N 1 2 282.344 -1.455 20 0 CAADLO COC(=O)NCC(=O)NC[C@@H]1CC[N@@H+]1[C@H](C)C(N)=O ZINC001446048566 891661649 /nfs/dbraw/zinc/66/16/49/891661649.db2.gz WNBRXLRQWGHXBB-SFYZADRCSA-N 1 2 272.305 -1.593 20 0 CAADLO COC(=O)NCC(=O)NC[C@@H]1CC[N@H+]1[C@H](C)C(N)=O ZINC001446048566 891661656 /nfs/dbraw/zinc/66/16/56/891661656.db2.gz WNBRXLRQWGHXBB-SFYZADRCSA-N 1 2 272.305 -1.593 20 0 CAADLO COC(=O)NCC(=O)NC[C@@H]1CC[N@@H+]1[C@@H](C)C(N)=O ZINC001446048571 891662540 /nfs/dbraw/zinc/66/25/40/891662540.db2.gz WNBRXLRQWGHXBB-YUMQZZPRSA-N 1 2 272.305 -1.593 20 0 CAADLO COC(=O)NCC(=O)NC[C@@H]1CC[N@H+]1[C@@H](C)C(N)=O ZINC001446048571 891662549 /nfs/dbraw/zinc/66/25/49/891662549.db2.gz WNBRXLRQWGHXBB-YUMQZZPRSA-N 1 2 272.305 -1.593 20 0 CAADLO CCN(C)C(=O)C[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CNC(=O)N1 ZINC001446069927 891662588 /nfs/dbraw/zinc/66/25/88/891662588.db2.gz FHZVDDGHJALFTF-VHSXEESVSA-N 1 2 297.359 -1.663 20 0 CAADLO CCN(C)C(=O)C[N@H+]1CC[C@H]1CNC(=O)[C@H]1CNC(=O)N1 ZINC001446069927 891662597 /nfs/dbraw/zinc/66/25/97/891662597.db2.gz FHZVDDGHJALFTF-VHSXEESVSA-N 1 2 297.359 -1.663 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+]1CC[C@H]1CNC(=O)CCCC(N)=O ZINC001446114017 891662619 /nfs/dbraw/zinc/66/26/19/891662619.db2.gz BQSUPTDLWLGMMF-ZJUUUORDSA-N 1 2 284.360 -1.033 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+]1CC[C@H]1CNC(=O)CCCC(N)=O ZINC001446114017 891662624 /nfs/dbraw/zinc/66/26/24/891662624.db2.gz BQSUPTDLWLGMMF-ZJUUUORDSA-N 1 2 284.360 -1.033 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+]1CC[C@@H]1CNC(=O)CCCC(N)=O ZINC001446114015 891663464 /nfs/dbraw/zinc/66/34/64/891663464.db2.gz BQSUPTDLWLGMMF-VHSXEESVSA-N 1 2 284.360 -1.033 20 0 CAADLO CNC(=O)[C@H](C)[N@H+]1CC[C@@H]1CNC(=O)CCCC(N)=O ZINC001446114015 891663475 /nfs/dbraw/zinc/66/34/75/891663475.db2.gz BQSUPTDLWLGMMF-VHSXEESVSA-N 1 2 284.360 -1.033 20 0 CAADLO COC[C@@H](O)C[N@@H+]1CC[C@@H]1CNC(=O)CCc1nc[nH]n1 ZINC001446043474 891664135 /nfs/dbraw/zinc/66/41/35/891664135.db2.gz RXIHZZBQMMNANB-MNOVXSKESA-N 1 2 297.359 -1.065 20 0 CAADLO COC[C@@H](O)C[N@H+]1CC[C@@H]1CNC(=O)CCc1nc[nH]n1 ZINC001446043474 891664141 /nfs/dbraw/zinc/66/41/41/891664141.db2.gz RXIHZZBQMMNANB-MNOVXSKESA-N 1 2 297.359 -1.065 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CC[C@H]1CNC(=O)CN1CCCNC1=O ZINC001446048095 891664358 /nfs/dbraw/zinc/66/43/58/891664358.db2.gz HBANYTQYULUMJT-UWVGGRQHSA-N 1 2 297.359 -1.534 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CC[C@H]1CNC(=O)CN1CCCNC1=O ZINC001446048095 891664366 /nfs/dbraw/zinc/66/43/66/891664366.db2.gz HBANYTQYULUMJT-UWVGGRQHSA-N 1 2 297.359 -1.534 20 0 CAADLO Cn1cc(C(=O)NCC2([NH2+]Cc3nnnn3C)CC2)cn1 ZINC001446137555 891665212 /nfs/dbraw/zinc/66/52/12/891665212.db2.gz KQZODFAIWJGCCW-UHFFFAOYSA-N 1 2 290.331 -1.004 20 0 CAADLO C[C@H](NC(N)=O)C(=O)NCC1([NH2+]Cc2nnnn2C)CC1 ZINC001446154978 891665689 /nfs/dbraw/zinc/66/56/89/891665689.db2.gz PTFOTTFQVSTULB-ZETCQYMHSA-N 1 2 296.335 -1.995 20 0 CAADLO Cn1cnc(C(=O)NCC2([NH2+]Cc3nncn3C)CC2)n1 ZINC001446156871 891666238 /nfs/dbraw/zinc/66/62/38/891666238.db2.gz ANYSNIVCIVVVRD-UHFFFAOYSA-N 1 2 290.331 -1.004 20 0 CAADLO Cn1ncnc1C[NH2+]C1(CNC(=O)[C@H]2COC(=O)N2)CC1 ZINC001446168267 891666407 /nfs/dbraw/zinc/66/64/07/891666407.db2.gz HPJMQRAOACMVFP-MRVPVSSYSA-N 1 2 294.315 -1.338 20 0 CAADLO O=C(NCC1([NH2+]Cc2cnon2)CC1)[C@H]1COC(=O)N1 ZINC001446170100 891666527 /nfs/dbraw/zinc/66/65/27/891666527.db2.gz NSVGENVFYGZIMS-MRVPVSSYSA-N 1 2 281.272 -1.084 20 0 CAADLO Cc1nnc(C[NH2+]C2(CNC(=O)c3nnn(C)n3)CC2)[nH]1 ZINC001446224934 891668647 /nfs/dbraw/zinc/66/86/47/891668647.db2.gz GIPGCVPOSNVLME-UHFFFAOYSA-N 1 2 291.319 -1.311 20 0 CAADLO Cn1ncnc1C[NH2+]C1(CNC(=O)Cn2cncn2)CC1 ZINC001446268852 891669484 /nfs/dbraw/zinc/66/94/84/891669484.db2.gz LSODQCCSXJDROR-UHFFFAOYSA-N 1 2 290.331 -1.155 20 0 CAADLO Cn1nnnc1C[NH2+]C1(CNC(=O)CCNC(N)=O)CC1 ZINC001446270847 891669620 /nfs/dbraw/zinc/66/96/20/891669620.db2.gz BFTVAFDAKXNDNW-UHFFFAOYSA-N 1 2 296.335 -1.993 20 0 CAADLO Cn1nnnc1C[NH2+]C1(CNC(=O)c2cnon2)CC1 ZINC001446257825 891670190 /nfs/dbraw/zinc/67/01/90/891670190.db2.gz KTCZTPCVQPTWMZ-UHFFFAOYSA-N 1 2 278.276 -1.355 20 0 CAADLO COC[C@H](O)C[NH+]1CC(N(C)C(=O)Cc2nnc[nH]2)C1 ZINC001446401657 891675765 /nfs/dbraw/zinc/67/57/65/891675765.db2.gz XDPPYCJPZQKHFG-SNVBAGLBSA-N 1 2 283.332 -1.503 20 0 CAADLO COCC[NH+]1CC(N(C)C(=O)CCCS(N)(=O)=O)C1 ZINC001446387814 891675864 /nfs/dbraw/zinc/67/58/64/891675864.db2.gz WMUOUENFPHWINF-UHFFFAOYSA-N 1 2 293.389 -1.156 20 0 CAADLO CCC[C@@H](NC(N)=O)C(=O)N(C)C1C[NH+](CCO)C1 ZINC001446395361 891676029 /nfs/dbraw/zinc/67/60/29/891676029.db2.gz DRISJJATDCWLIY-SNVBAGLBSA-N 1 2 272.349 -1.042 20 0 CAADLO COC[C@H](O)C[NH+]1CC(N(C)C(=O)c2n[nH]nc2C)C1 ZINC001446381341 891676170 /nfs/dbraw/zinc/67/61/70/891676170.db2.gz SFVGXMRDLUITQX-SNVBAGLBSA-N 1 2 283.332 -1.123 20 0 CAADLO NC(=O)CC(=O)NC1CC[NH+]([C@@H]2CCOC2=O)CC1 ZINC001446596482 891682251 /nfs/dbraw/zinc/68/22/51/891682251.db2.gz OLIKCCGWMHOMPE-SECBINFHSA-N 1 2 269.301 -1.242 20 0 CAADLO CNC(=O)NCC(=O)NC1CC[NH+]([C@H]2CCOC2=O)CC1 ZINC001446590141 891682723 /nfs/dbraw/zinc/68/27/23/891682723.db2.gz BKSGHEAWSFGRTG-JTQLQIEISA-N 1 2 298.343 -1.189 20 0 CAADLO CC(C)C(=O)NC[C@@]1(O)CC[N@H+](Cc2nc(=O)n(C)[nH]2)C1 ZINC001446745704 891685036 /nfs/dbraw/zinc/68/50/36/891685036.db2.gz XVJPHOMGRCJIAZ-ZDUSSCGKSA-N 1 2 297.359 -1.183 20 0 CAADLO CC(C)C(=O)NC[C@@]1(O)CC[N@@H+](Cc2nc(=O)n(C)[nH]2)C1 ZINC001446745704 891685042 /nfs/dbraw/zinc/68/50/42/891685042.db2.gz XVJPHOMGRCJIAZ-ZDUSSCGKSA-N 1 2 297.359 -1.183 20 0 CAADLO C[C@H](O)C[NH+]1CC(O)(CNC(=O)C[C@H]2COC(=O)C2)C1 ZINC001446825498 891692613 /nfs/dbraw/zinc/69/26/13/891692613.db2.gz AGBTZPRVVSTIRU-VHSXEESVSA-N 1 2 286.328 -1.517 20 0 CAADLO COC(=O)[C@H]1C[C@H]1C(=O)NCC1(O)C[NH+](CCCO)C1 ZINC001446830269 891693076 /nfs/dbraw/zinc/69/30/76/891693076.db2.gz LVWXQEPJOHPWDG-ZJUUUORDSA-N 1 2 286.328 -1.659 20 0 CAADLO CC(=O)N[C@H](C)C(=O)NCC1(O)C[NH+](CCCO)C1 ZINC001446817102 891693104 /nfs/dbraw/zinc/69/31/04/891693104.db2.gz RQIIMXMTJAQJBK-SECBINFHSA-N 1 2 273.333 -1.944 20 0 CAADLO C[C@@H](O)C[NH+]1CC(O)(CNC(=O)C[C@H]2COC(=O)C2)C1 ZINC001446825495 891693369 /nfs/dbraw/zinc/69/33/69/891693369.db2.gz AGBTZPRVVSTIRU-NXEZZACHSA-N 1 2 286.328 -1.517 20 0 CAADLO Cc1ncncc1C(=O)NCC1(O)C[NH+](C[C@H](C)O)C1 ZINC001446832511 891694017 /nfs/dbraw/zinc/69/40/17/891694017.db2.gz CDMFJEAFXNSTQM-VIFPVBQESA-N 1 2 280.328 -1.058 20 0 CAADLO COC[C@H](C)[NH+]1CC(O)(CNC(=O)c2cn(C)nn2)C1 ZINC001446837098 891696071 /nfs/dbraw/zinc/69/60/71/891696071.db2.gz XZCZZGNMUMYGOV-VIFPVBQESA-N 1 2 283.332 -1.374 20 0 CAADLO COC(=O)NCC(=O)NCC1(O)C[NH+](C[C@H](C)OC)C1 ZINC001446833617 891696884 /nfs/dbraw/zinc/69/68/84/891696884.db2.gz HGVAACNRABBWSN-VIFPVBQESA-N 1 2 289.332 -1.460 20 0 CAADLO CO[C@H](C)C[NH+]1CC(O)(CNC(=O)Cc2nnc(C)[nH]2)C1 ZINC001446841408 891697347 /nfs/dbraw/zinc/69/73/47/891697347.db2.gz GSLLZGMDAGRORX-SECBINFHSA-N 1 2 297.359 -1.147 20 0 CAADLO COC1CC(C(=O)NCC2(O)C[NH+](CCCO)C2)C1 ZINC001446853393 891699771 /nfs/dbraw/zinc/69/97/71/891699771.db2.gz DSVWTXNIOZVOEF-UHFFFAOYSA-N 1 2 272.345 -1.043 20 0 CAADLO COC[C@H](C)[NH+]1CC(O)(CNC(=O)c2[nH]nnc2C)C1 ZINC001446858302 891699899 /nfs/dbraw/zinc/69/98/99/891699899.db2.gz VMPPDMJTUUCHHW-QMMMGPOBSA-N 1 2 283.332 -1.075 20 0 CAADLO CN1C(=O)CC[C@H]1C(=O)NCC1(O)C[NH+](CCCO)C1 ZINC001446870353 891700129 /nfs/dbraw/zinc/70/01/29/891700129.db2.gz KFVRMERPQCBCJC-JTQLQIEISA-N 1 2 285.344 -1.848 20 0 CAADLO O=C(C[C@H]1CCC(=O)NC1)NCC1(O)C[NH+](CCCO)C1 ZINC001446851264 891700924 /nfs/dbraw/zinc/70/09/24/891700924.db2.gz DQPKVBDYQHXNEV-LLVKDONJSA-N 1 2 299.371 -1.552 20 0 CAADLO CNC(=O)[C@@H](C)N1CC(O)(CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001446883559 891702468 /nfs/dbraw/zinc/70/24/68/891702468.db2.gz BQWNZYQWLAISBG-SECBINFHSA-N 1 2 295.343 -1.750 20 0 CAADLO COC[C@H](C)[NH+]1CC(O)(CNC(=O)C[C@H]2CCC(=O)N2)C1 ZINC001446891887 891702962 /nfs/dbraw/zinc/70/29/62/891702962.db2.gz QRRGMLWQOJCFEE-WDEREUQCSA-N 1 2 299.371 -1.147 20 0 CAADLO C[C@@H](C(=O)NCC1(O)C[NH+](CCCO)C1)[C@H]1CCC(=O)N1 ZINC001446887378 891702982 /nfs/dbraw/zinc/70/29/82/891702982.db2.gz VCQYFCGTTAHJGP-GHMZBOCLSA-N 1 2 299.371 -1.554 20 0 CAADLO C[C@H](C(=O)NCC1(O)C[NH+](CCCO)C1)[C@H]1CCC(=O)N1 ZINC001446887388 891703047 /nfs/dbraw/zinc/70/30/47/891703047.db2.gz VCQYFCGTTAHJGP-WDEREUQCSA-N 1 2 299.371 -1.554 20 0 CAADLO C[C@@H](C(=O)NCC1(O)C[NH+](CCCO)C1)[C@@H]1CCC(=O)N1 ZINC001446887381 891703264 /nfs/dbraw/zinc/70/32/64/891703264.db2.gz VCQYFCGTTAHJGP-MNOVXSKESA-N 1 2 299.371 -1.554 20 0 CAADLO COC[C@H](C)[NH+]1CC(O)(CNC(=O)C[C@@H]2CCC(=O)N2)C1 ZINC001446891809 891703515 /nfs/dbraw/zinc/70/35/15/891703515.db2.gz QRRGMLWQOJCFEE-QWRGUYRKSA-N 1 2 299.371 -1.147 20 0 CAADLO COC[C@@H](OC)C(=O)NCC1(O)C[NH+](C[C@@H](C)O)C1 ZINC001446876347 891703691 /nfs/dbraw/zinc/70/36/91/891703691.db2.gz NLLQTUQPQVDOTO-NXEZZACHSA-N 1 2 276.333 -1.809 20 0 CAADLO O=C(CCn1cnnn1)NCC1(O)C[NH+](CCCO)C1 ZINC001446889515 891703715 /nfs/dbraw/zinc/70/37/15/891703715.db2.gz PMNRZMMFZXMGOQ-UHFFFAOYSA-N 1 2 284.320 -2.392 20 0 CAADLO COC[C@@H](C)[NH+]1CC(O)(CNC(=O)CCNC(N)=O)C1 ZINC001446898098 891704053 /nfs/dbraw/zinc/70/40/53/891704053.db2.gz NCEGOQLPZRUXMJ-SECBINFHSA-N 1 2 288.348 -1.757 20 0 CAADLO C[C@@H](C(N)=O)N1CC(O)(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001446923988 891704386 /nfs/dbraw/zinc/70/43/86/891704386.db2.gz PZPVKZDKZQUWNG-VIFPVBQESA-N 1 2 281.316 -2.080 20 0 CAADLO COC[C@H](C)[NH+]1CC(O)(CNC(=O)CCNC(N)=O)C1 ZINC001446898174 891704857 /nfs/dbraw/zinc/70/48/57/891704857.db2.gz NCEGOQLPZRUXMJ-VIFPVBQESA-N 1 2 288.348 -1.757 20 0 CAADLO CO[C@@H](C)C[NH+]1CC(O)(CNC(=O)CCCC(N)=O)C1 ZINC001446924552 891705043 /nfs/dbraw/zinc/70/50/43/891705043.db2.gz RVGQRHQDNOCLCQ-JTQLQIEISA-N 1 2 287.360 -1.160 20 0 CAADLO CNC(=O)C[NH2+]C[C@H]1CN(C(=O)Cc2ncn[nH]2)C[C@H]1C ZINC001446943228 891707049 /nfs/dbraw/zinc/70/70/49/891707049.db2.gz RBPKYURMCQJGCG-ZJUUUORDSA-N 1 2 294.359 -1.223 20 0 CAADLO CO[C@H](C)C[NH+]1CC(O)(CNC(=O)CCCC(N)=O)C1 ZINC001446924555 891707621 /nfs/dbraw/zinc/70/76/21/891707621.db2.gz RVGQRHQDNOCLCQ-SNVBAGLBSA-N 1 2 287.360 -1.160 20 0 CAADLO Cn1cc(C(=O)NCC2(O)C[NH+](CCCO)C2)n(C)c1=O ZINC001446928712 891707743 /nfs/dbraw/zinc/70/77/43/891707743.db2.gz UGELKCTYNOAQAD-UHFFFAOYSA-N 1 2 298.343 -2.117 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CCC[C@](CO)(NC(=O)c2ncc[nH]2)C1 ZINC001447006639 891708992 /nfs/dbraw/zinc/70/89/92/891708992.db2.gz ROEINRLLCBDWPJ-ZANVPECISA-N 1 2 295.343 -1.160 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CCC[C@](CO)(NC(=O)c2ncc[nH]2)C1 ZINC001447006639 891709005 /nfs/dbraw/zinc/70/90/05/891709005.db2.gz ROEINRLLCBDWPJ-ZANVPECISA-N 1 2 295.343 -1.160 20 0 CAADLO COCC(=O)N[C@]1(CO)CCC[N@@H+]([C@H](C)C(N)=O)C1 ZINC001446994690 891709438 /nfs/dbraw/zinc/70/94/38/891709438.db2.gz BFSGLZRLFXKXDR-BXKDBHETSA-N 1 2 273.333 -1.550 20 0 CAADLO COCC(=O)N[C@]1(CO)CCC[N@H+]([C@H](C)C(N)=O)C1 ZINC001446994690 891709442 /nfs/dbraw/zinc/70/94/42/891709442.db2.gz BFSGLZRLFXKXDR-BXKDBHETSA-N 1 2 273.333 -1.550 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CCC[C@@](CO)(NC(=O)c2ncc[nH]2)C1 ZINC001447006624 891709553 /nfs/dbraw/zinc/70/95/53/891709553.db2.gz ROEINRLLCBDWPJ-NOZJJQNGSA-N 1 2 295.343 -1.160 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CCC[C@@](CO)(NC(=O)c2ncc[nH]2)C1 ZINC001447006624 891709564 /nfs/dbraw/zinc/70/95/64/891709564.db2.gz ROEINRLLCBDWPJ-NOZJJQNGSA-N 1 2 295.343 -1.160 20 0 CAADLO COCC(=O)N[C@]1(CO)CCC[N@@H+]([C@@H](C)C(N)=O)C1 ZINC001446994693 891710791 /nfs/dbraw/zinc/71/07/91/891710791.db2.gz BFSGLZRLFXKXDR-JOYOIKCWSA-N 1 2 273.333 -1.550 20 0 CAADLO COCC(=O)N[C@]1(CO)CCC[N@H+]([C@@H](C)C(N)=O)C1 ZINC001446994693 891710793 /nfs/dbraw/zinc/71/07/93/891710793.db2.gz BFSGLZRLFXKXDR-JOYOIKCWSA-N 1 2 273.333 -1.550 20 0 CAADLO CCOCC(=O)N[C@@]1(CO)CCC[N@H+](CC(=O)NC)C1 ZINC001447098456 891713832 /nfs/dbraw/zinc/71/38/32/891713832.db2.gz SBZFQOJFMAHKDJ-ZDUSSCGKSA-N 1 2 287.360 -1.288 20 0 CAADLO CCOCC(=O)N[C@@]1(CO)CCC[N@@H+](CC(=O)NC)C1 ZINC001447098456 891713841 /nfs/dbraw/zinc/71/38/41/891713841.db2.gz SBZFQOJFMAHKDJ-ZDUSSCGKSA-N 1 2 287.360 -1.288 20 0 CAADLO Cn1nnnc1C[NH2+]C1(CNC(=O)c2cn[nH]n2)CCC1 ZINC001447233387 891716097 /nfs/dbraw/zinc/71/60/97/891716097.db2.gz KIYRDQLDNZKIHO-UHFFFAOYSA-N 1 2 291.319 -1.230 20 0 CAADLO CC(=O)NCC(=O)N1CC[C@H]([NH+]2CCN(CCO)CC2)C1 ZINC001447288604 891720371 /nfs/dbraw/zinc/72/03/71/891720371.db2.gz IKWZSZXKHAJJER-ZDUSSCGKSA-N 1 2 298.387 -1.667 20 0 CAADLO C[C@H]([NH2+]C[C@@H]1CN(C(=O)Cc2ncn[nH]2)CCO1)C(N)=O ZINC001447315816 891722197 /nfs/dbraw/zinc/72/21/97/891722197.db2.gz VWFIJYSRGKUXGS-DTWKUNHWSA-N 1 2 296.331 -1.962 20 0 CAADLO CC(=O)NC(C)(C)C(=O)N[C@@H]1COC2(C[NH+](CCO)C2)C1 ZINC001447391269 891725539 /nfs/dbraw/zinc/72/55/39/891725539.db2.gz YDOMOBZCPRKNEQ-NSHDSACASA-N 1 2 299.371 -1.147 20 0 CAADLO COC1CC(C(=O)NC2(CO)CC[NH+](CC(N)=O)CC2)C1 ZINC001447717941 891737731 /nfs/dbraw/zinc/73/77/31/891737731.db2.gz BQXFRMJDNAEWJE-UHFFFAOYSA-N 1 2 299.371 -1.160 20 0 CAADLO NC(=O)C[NH+]1CCC(CO)(NC(=O)c2cocn2)CC1 ZINC001447713457 891738009 /nfs/dbraw/zinc/73/80/09/891738009.db2.gz PEJNEFQFDROCML-UHFFFAOYSA-N 1 2 282.300 -1.283 20 0 CAADLO NC(=O)C[NH+]1CCC(CO)(NC(=O)Cc2ncc[nH]2)CC1 ZINC001447738105 891739067 /nfs/dbraw/zinc/73/90/67/891739067.db2.gz KXUOKJYRNAIBRZ-UHFFFAOYSA-N 1 2 295.343 -1.619 20 0 CAADLO CNC(=O)NC(=O)C[N@H+](C)[C@@H](C)CNC(=O)c1cn[nH]n1 ZINC001448045878 891747091 /nfs/dbraw/zinc/74/70/91/891747091.db2.gz VLPVXCQHZHSFIA-ZETCQYMHSA-N 1 2 297.319 -1.690 20 0 CAADLO CNC(=O)NC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)c1cn[nH]n1 ZINC001448045878 891747100 /nfs/dbraw/zinc/74/71/00/891747100.db2.gz VLPVXCQHZHSFIA-ZETCQYMHSA-N 1 2 297.319 -1.690 20 0 CAADLO CNC(=O)NC(=O)C[N@H+](C)[C@@H](C)CNC(=O)c1cnn[nH]1 ZINC001448045878 891747111 /nfs/dbraw/zinc/74/71/11/891747111.db2.gz VLPVXCQHZHSFIA-ZETCQYMHSA-N 1 2 297.319 -1.690 20 0 CAADLO CNC(=O)NC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)c1cnn[nH]1 ZINC001448045878 891747123 /nfs/dbraw/zinc/74/71/23/891747123.db2.gz VLPVXCQHZHSFIA-ZETCQYMHSA-N 1 2 297.319 -1.690 20 0 CAADLO CNC(=O)C[N@H+](C)[C@H](C)CNC(=O)CCc1nnc[nH]1 ZINC001448001312 891750525 /nfs/dbraw/zinc/75/05/25/891750525.db2.gz AZUWMHGKNTYUNM-SECBINFHSA-N 1 2 282.348 -1.080 20 0 CAADLO CNC(=O)C[N@@H+](C)[C@H](C)CNC(=O)CCc1nnc[nH]1 ZINC001448001312 891750529 /nfs/dbraw/zinc/75/05/29/891750529.db2.gz AZUWMHGKNTYUNM-SECBINFHSA-N 1 2 282.348 -1.080 20 0 CAADLO C[C@H](CNC(=O)[C@H]1CNC(=O)N1)[N@H+](C)Cc1cnnn1C ZINC001448078315 891751636 /nfs/dbraw/zinc/75/16/36/891751636.db2.gz LDQSXVVKEUSQCC-PSASIEDQSA-N 1 2 295.347 -1.567 20 0 CAADLO C[C@H](CNC(=O)[C@H]1CNC(=O)N1)[N@@H+](C)Cc1cnnn1C ZINC001448078315 891751643 /nfs/dbraw/zinc/75/16/43/891751643.db2.gz LDQSXVVKEUSQCC-PSASIEDQSA-N 1 2 295.347 -1.567 20 0 CAADLO C[C@@H](CNC(=O)[C@@H]1CNC(=O)N1)[N@H+](C)Cc1cnnn1C ZINC001448078326 891751787 /nfs/dbraw/zinc/75/17/87/891751787.db2.gz LDQSXVVKEUSQCC-WPRPVWTQSA-N 1 2 295.347 -1.567 20 0 CAADLO C[C@@H](CNC(=O)[C@@H]1CNC(=O)N1)[N@@H+](C)Cc1cnnn1C ZINC001448078326 891751794 /nfs/dbraw/zinc/75/17/94/891751794.db2.gz LDQSXVVKEUSQCC-WPRPVWTQSA-N 1 2 295.347 -1.567 20 0 CAADLO Cc1nnc(CC(=O)NC2(CCO)C[NH+](C[C@@H](C)O)C2)[nH]1 ZINC001448168131 891753418 /nfs/dbraw/zinc/75/34/18/891753418.db2.gz DYXRMBVESOYCAI-SECBINFHSA-N 1 2 297.359 -1.411 20 0 CAADLO O=C(NC1(CCO)C[NH+](CCO)C1)[C@@H]1CCCOC1 ZINC001448151756 891753469 /nfs/dbraw/zinc/75/34/69/891753469.db2.gz SBRUEIVWCHNAHR-LLVKDONJSA-N 1 2 272.345 -1.042 20 0 CAADLO O=C(NC1(CCO)C[NH+](CCO)C1)C1=CCOCC1 ZINC001448150255 891753867 /nfs/dbraw/zinc/75/38/67/891753867.db2.gz CGWCCNUPTPIKHP-UHFFFAOYSA-N 1 2 270.329 -1.122 20 0 CAADLO O=C(CCn1cncn1)NC1(CCO)C[NH+](CCCO)C1 ZINC001448158588 891754711 /nfs/dbraw/zinc/75/47/11/891754711.db2.gz SYSRPPUOZPFYOC-UHFFFAOYSA-N 1 2 297.359 -1.396 20 0 CAADLO CN1C[C@@H](C(=O)NC2(CCO)C[NH+](CCCO)C2)CC1=O ZINC001448174063 891755157 /nfs/dbraw/zinc/75/51/57/891755157.db2.gz GZUCEEIPKMSRRI-NSHDSACASA-N 1 2 299.371 -1.600 20 0 CAADLO C[C@H](O)C[NH+]1CC(CCO)(NC(=O)Cc2ncc[nH]2)C1 ZINC001448199389 891756356 /nfs/dbraw/zinc/75/63/56/891756356.db2.gz HSBXVVFPBIVVPD-JTQLQIEISA-N 1 2 282.344 -1.114 20 0 CAADLO CN1C(=O)CC[C@@H]1C(=O)NC1(CCO)C[NH+](CCCO)C1 ZINC001448193187 891756465 /nfs/dbraw/zinc/75/64/65/891756465.db2.gz UEYHXTUOBNCYAN-LLVKDONJSA-N 1 2 299.371 -1.457 20 0 CAADLO NC(=O)[C@@H]1CC[C@@H]1C(=O)NC1(CCO)C[NH+](CCO)C1 ZINC001448179179 891756923 /nfs/dbraw/zinc/75/69/23/891756923.db2.gz FPKRXRLNQLIEGA-ZJUUUORDSA-N 1 2 285.344 -1.957 20 0 CAADLO CNC(=O)C[NH+]1CC([C@H](C)NC(=O)CCNC(=O)NC)C1 ZINC001448276913 891757023 /nfs/dbraw/zinc/75/70/23/891757023.db2.gz AJMCTBAGZZUQQY-VIFPVBQESA-N 1 2 299.375 -1.512 20 0 CAADLO C[C@@H](O)C[NH+]1CC(CCO)(NC(=O)[C@H]2CCC(=O)N2C)C1 ZINC001448187333 891757483 /nfs/dbraw/zinc/75/74/83/891757483.db2.gz LBRQIZUWSIYHRT-GHMZBOCLSA-N 1 2 299.371 -1.459 20 0 CAADLO COCC[NH+]1CC(CCO)(NC(=O)[C@@H]2CC[C@@H]2C(N)=O)C1 ZINC001448179696 891757734 /nfs/dbraw/zinc/75/77/34/891757734.db2.gz IQXNMIKGLSXFAQ-WDEREUQCSA-N 1 2 299.371 -1.303 20 0 CAADLO CO[C@H](C)C[NH+]1CC(CCO)(NC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001448201866 891757764 /nfs/dbraw/zinc/75/77/64/891757764.db2.gz RBGFFABRPFLJOH-MNOVXSKESA-N 1 2 299.371 -1.147 20 0 CAADLO C[C@@H](NC(=O)c1ncc[nH]1)C1C[NH+](CC(=O)NC(N)=O)C1 ZINC001448278613 891758187 /nfs/dbraw/zinc/75/81/87/891758187.db2.gz DHBYAYDGZVSMEE-SSDOTTSWSA-N 1 2 294.315 -1.345 20 0 CAADLO Cc1ccnn1CC(=O)NC1(CCO)C[NH+](CCO)C1 ZINC001448186069 891758620 /nfs/dbraw/zinc/75/86/20/891758620.db2.gz ICKHJTALLIXUSQ-UHFFFAOYSA-N 1 2 282.344 -1.263 20 0 CAADLO COC[C@@H](OC)C(=O)NC1(CCO)C[NH+](C[C@H](C)O)C1 ZINC001448184687 891758897 /nfs/dbraw/zinc/75/88/97/891758897.db2.gz ABTRJSQZBIKZNB-WDEREUQCSA-N 1 2 290.360 -1.418 20 0 CAADLO CCC(=O)NCC(=O)N[C@@H](C)C1C[NH+](CC(N)=O)C1 ZINC001448274743 891758927 /nfs/dbraw/zinc/75/89/27/891758927.db2.gz CTUCGXCJTOBGNS-QMMMGPOBSA-N 1 2 270.333 -1.566 20 0 CAADLO C[C@@H](NC(=O)[C@@]1(C)CCNC(=O)C1)C1C[NH+](CC(N)=O)C1 ZINC001448313990 891759985 /nfs/dbraw/zinc/75/99/85/891759985.db2.gz ILHSRBCXZAJNRV-OTYXRUKQSA-N 1 2 296.371 -1.176 20 0 CAADLO C[C@H](CC(N)=O)C(=O)N[C@H]1C[N@H+](CC(N)=O)CC1(C)C ZINC001448387924 891760204 /nfs/dbraw/zinc/76/02/04/891760204.db2.gz UUXIIVMHNMAPQV-BDAKNGLRSA-N 1 2 284.360 -1.190 20 0 CAADLO C[C@H](CC(N)=O)C(=O)N[C@H]1C[N@@H+](CC(N)=O)CC1(C)C ZINC001448387924 891760215 /nfs/dbraw/zinc/76/02/15/891760215.db2.gz UUXIIVMHNMAPQV-BDAKNGLRSA-N 1 2 284.360 -1.190 20 0 CAADLO CCNC(=O)C[NH+]1CC([C@@H](C)NC(=O)Cn2cncn2)C1 ZINC001448336129 891761271 /nfs/dbraw/zinc/76/12/71/891761271.db2.gz FTWSPNJKMNVIOS-SNVBAGLBSA-N 1 2 294.359 -1.149 20 0 CAADLO CNC(=O)C[NH+]1CC([C@@H](C)NC(=O)C[C@@H](C)NC(N)=O)C1 ZINC001448289458 891762114 /nfs/dbraw/zinc/76/21/14/891762114.db2.gz URKLBYJDBYQXCU-RKDXNWHRSA-N 1 2 299.375 -1.384 20 0 CAADLO C[C@@H]([NH2+]CC(N)=O)[C@H]1CN(C(=O)Cc2ncn[nH]2)CCO1 ZINC001448469836 891763826 /nfs/dbraw/zinc/76/38/26/891763826.db2.gz RPNZVMZNELDMMH-RKDXNWHRSA-N 1 2 296.331 -1.962 20 0 CAADLO C[C@@H]([NH2+]CC(N)=O)[C@@H]1CN(C(=O)Cc2ncn[nH]2)CCO1 ZINC001448469831 891764246 /nfs/dbraw/zinc/76/42/46/891764246.db2.gz RPNZVMZNELDMMH-BDAKNGLRSA-N 1 2 296.331 -1.962 20 0 CAADLO C[C@@H](CN(C)C(=O)c1cn[nH]n1)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001448700750 891769630 /nfs/dbraw/zinc/76/96/30/891769630.db2.gz GZLWBAWNNQRANK-ZETCQYMHSA-N 1 2 294.319 -1.523 20 0 CAADLO CC[N@@H+]1CC[C@H]1C(=O)NCC(=O)NCC(=O)OC ZINC001448783395 891777024 /nfs/dbraw/zinc/77/70/24/891777024.db2.gz UJSQFMANOXNELB-QMMMGPOBSA-N 1 2 257.290 -1.514 20 0 CAADLO CC[N@H+]1CC[C@H]1C(=O)NCC(=O)NCC(=O)OC ZINC001448783395 891777029 /nfs/dbraw/zinc/77/70/29/891777029.db2.gz UJSQFMANOXNELB-QMMMGPOBSA-N 1 2 257.290 -1.514 20 0 CAADLO C[C@H](CN(C)C(=O)c1cn[nH]n1)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001448700749 891771859 /nfs/dbraw/zinc/77/18/59/891771859.db2.gz GZLWBAWNNQRANK-SSDOTTSWSA-N 1 2 294.319 -1.523 20 0 CAADLO CCNC(=O)C[NH2+][C@H](C)CN(C)C(=O)Cc1ncn[nH]1 ZINC001448756078 891774639 /nfs/dbraw/zinc/77/46/39/891774639.db2.gz SXQOZMLZMKNLHK-SECBINFHSA-N 1 2 282.348 -1.080 20 0 CAADLO COCC(=O)NC[C@@H](CO)[NH2+]Cc1nc(C2CC2)nn1C ZINC001448786102 891777013 /nfs/dbraw/zinc/77/70/13/891777013.db2.gz VUGNJDQSUSJAON-JTQLQIEISA-N 1 2 297.359 -1.094 20 0 CAADLO Cn1[nH]c(C[NH2+][C@@H](CO)CNC(=O)c2ccco2)nc1=O ZINC001448804746 891777211 /nfs/dbraw/zinc/77/72/11/891777211.db2.gz WSYBSZSFQSQHGW-MRVPVSSYSA-N 1 2 295.299 -1.418 20 0 CAADLO CC(=O)NCC(=O)NC[C@H](CO)[NH2+]Cc1cn(C)nn1 ZINC001448803974 891777664 /nfs/dbraw/zinc/77/76/64/891777664.db2.gz VTSMOKFHVSVNFH-SNVBAGLBSA-N 1 2 284.320 -2.482 20 0 CAADLO C[C@H]([NH2+][C@H](CO)CNC(=O)c1cn[nH]c1)c1nncn1C ZINC001448816785 891779833 /nfs/dbraw/zinc/77/98/33/891779833.db2.gz MCFJJPQISKJYPP-WPRPVWTQSA-N 1 2 293.331 -1.020 20 0 CAADLO CC[C@H](C)C(=O)NC[C@@H](CO)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001448814737 891780024 /nfs/dbraw/zinc/78/00/24/891780024.db2.gz JRTUCQGNIODNCA-IUCAKERBSA-N 1 2 285.348 -1.279 20 0 CAADLO Cc1cc(C[NH2+][C@H](CO)CNC(=O)Cn2cnnn2)no1 ZINC001448807784 891781331 /nfs/dbraw/zinc/78/13/31/891781331.db2.gz KOSPEGAVDMKVKR-JTQLQIEISA-N 1 2 295.303 -1.764 20 0 CAADLO CCn1ncc(C[NH2+][C@H](CO)CNC(=O)c2ccn[nH]2)n1 ZINC001448812313 891781546 /nfs/dbraw/zinc/78/15/46/891781546.db2.gz GXCPTMFLMOKGED-JTQLQIEISA-N 1 2 293.331 -1.098 20 0 CAADLO C[C@H]([NH2+][C@@H](CO)CNC(=O)c1cn[nH]c1)c1nncn1C ZINC001448816783 891781947 /nfs/dbraw/zinc/78/19/47/891781947.db2.gz MCFJJPQISKJYPP-WCBMZHEXSA-N 1 2 293.331 -1.020 20 0 CAADLO Cn1cc(C[NH2+][C@@H](CO)CNC(=O)C[C@H]2CCCO2)nn1 ZINC001448815428 891781970 /nfs/dbraw/zinc/78/19/70/891781970.db2.gz JYUAIPCINNPNLB-VXGBXAGGSA-N 1 2 297.359 -1.049 20 0 CAADLO CC(=O)N(C)CC(=O)NC[C@@H](CO)[NH2+]Cc1cn(C)nn1 ZINC001448809053 891782399 /nfs/dbraw/zinc/78/23/99/891782399.db2.gz BEEIFUZTFQOLKK-NSHDSACASA-N 1 2 298.347 -2.140 20 0 CAADLO Cc1nnc(C[NH2+][C@H](CO)CNC(=O)c2cnns2)[nH]1 ZINC001448815346 891782483 /nfs/dbraw/zinc/78/24/83/891782483.db2.gz JNRBDDKZRBXVPP-ZETCQYMHSA-N 1 2 297.344 -1.155 20 0 CAADLO CC(=O)N[C@@H](C)C(=O)NC[C@H](CO)[NH2+]Cc1cnn(C)n1 ZINC001448808060 891782590 /nfs/dbraw/zinc/78/25/90/891782590.db2.gz KRKIKQUELOBTEY-GZMMTYOYSA-N 1 2 298.347 -2.094 20 0 CAADLO Cn1cc(C[NH2+][C@H](CO)CNC(=O)c2cncnc2)nn1 ZINC001448821342 891785059 /nfs/dbraw/zinc/78/50/59/891785059.db2.gz UZWLXTWZZUKFPK-NSHDSACASA-N 1 2 291.315 -1.514 20 0 CAADLO Cc1nnc(C[NH2+][C@H](CO)CNC(=O)CC(C)(C)O)[nH]1 ZINC001448824557 891785356 /nfs/dbraw/zinc/78/53/56/891785356.db2.gz HAJOGVWJADEOOF-VIFPVBQESA-N 1 2 285.348 -1.159 20 0 CAADLO Cn1ncc(C[NH2+][C@@H](CO)CNC(=O)c2ncc[nH]2)n1 ZINC001448832614 891787507 /nfs/dbraw/zinc/78/75/07/891787507.db2.gz MJLUMPWSNANBHW-SECBINFHSA-N 1 2 279.304 -1.581 20 0 CAADLO Cc1cc(C[NH2+][C@H](CO)CNC(=O)c2ncn(C)n2)no1 ZINC001448832642 891787921 /nfs/dbraw/zinc/78/79/21/891787921.db2.gz MXTLAPHIOSZLGS-JTQLQIEISA-N 1 2 294.315 -1.008 20 0 CAADLO Cn1ncc(C[NH2+][C@H](CO)CNC(=O)C2=CCOCC2)n1 ZINC001448827684 891788244 /nfs/dbraw/zinc/78/82/44/891788244.db2.gz UWZVPQPQYWXWJF-LBPRGKRZSA-N 1 2 295.343 -1.272 20 0 CAADLO Cn1cnc(C(=O)NC[C@H](CO)[NH2+]Cc2nncn2C)n1 ZINC001448827386 891788652 /nfs/dbraw/zinc/78/86/52/891788652.db2.gz GDNBTDIDROIQMN-MRVPVSSYSA-N 1 2 294.319 -2.176 20 0 CAADLO Cn1ncc(C[NH2+][C@@H](CO)CNC(=O)CC2(O)CCC2)n1 ZINC001448834413 891788928 /nfs/dbraw/zinc/78/89/28/891788928.db2.gz OVLRVYKFIUIHBX-LLVKDONJSA-N 1 2 297.359 -1.313 20 0 CAADLO Cn1ncnc1C[NH2+][C@H](CO)CNC(=O)c1ncc[nH]1 ZINC001448842670 891789794 /nfs/dbraw/zinc/78/97/94/891789794.db2.gz XRVMHYSJSIZDPA-QMMMGPOBSA-N 1 2 279.304 -1.581 20 0 CAADLO CO[C@H](C(=O)NC[C@@H](CO)[NH2+]Cc1cnn(C)n1)C1CC1 ZINC001448837809 891790153 /nfs/dbraw/zinc/79/01/53/891790153.db2.gz XMOIQLJHIKYELV-RYUDHWBXSA-N 1 2 297.359 -1.193 20 0 CAADLO Cc1nnc(C[NH2+][C@@H](CO)CNC(=O)Cc2cc[nH]n2)[nH]1 ZINC001448841736 891791732 /nfs/dbraw/zinc/79/17/32/891791732.db2.gz VKGZKSAATKUSKW-SNVBAGLBSA-N 1 2 293.331 -1.354 20 0 CAADLO CO[C@H](C(=O)NC[C@H](CO)[NH2+]Cc1cnn(C)n1)C1CC1 ZINC001448837799 891792219 /nfs/dbraw/zinc/79/22/19/891792219.db2.gz XMOIQLJHIKYELV-NEPJUHHUSA-N 1 2 297.359 -1.193 20 0 CAADLO Cn1cc(C[NH2+][C@@H](CO)CNC(=O)c2ncc[nH]2)nn1 ZINC001448839742 891792336 /nfs/dbraw/zinc/79/23/36/891792336.db2.gz STVMYRQJBKRWEX-SECBINFHSA-N 1 2 279.304 -1.581 20 0 CAADLO Cn1ncnc1C[NH2+][C@H](CO)CNC(=O)c1cnco1 ZINC001448880628 891799368 /nfs/dbraw/zinc/79/93/68/891799368.db2.gz XTNUUESSIHTRQS-QMMMGPOBSA-N 1 2 280.288 -1.316 20 0 CAADLO COCC1(C(=O)NC[C@H](CO)[NH2+]Cc2nncn2C)CC1 ZINC001448887847 891801992 /nfs/dbraw/zinc/80/19/92/891801992.db2.gz BUAVMZBGWAJDCK-SNVBAGLBSA-N 1 2 297.359 -1.192 20 0 CAADLO Cn1c(=O)[nH]cc1C(=O)NC[C@H](CO)[NH2+]Cc1ccon1 ZINC001448888641 891803810 /nfs/dbraw/zinc/80/38/10/891803810.db2.gz NFKRJTWPWYBWIH-SECBINFHSA-N 1 2 295.299 -1.006 20 0 CAADLO Cn1nnc(CN[C@H](CO)CNC(=O)Cc2c[nH]c[nH+]2)n1 ZINC001448898400 891807626 /nfs/dbraw/zinc/80/76/26/891807626.db2.gz FZPJTVGXPRZXAP-VIFPVBQESA-N 1 2 294.319 -2.257 20 0 CAADLO Cn1nnnc1C[NH2+][C@H](CO)CNC(=O)[C@@H]1C[C@H]1C1CC1 ZINC001448914275 891807896 /nfs/dbraw/zinc/80/78/96/891807896.db2.gz BYKSTUMPTXDSNI-GARJFASQSA-N 1 2 294.359 -1.177 20 0 CAADLO Cn1ncc(C[NH2+][C@@H](CO)CNC(=O)[C@]2(C)CCOC2)n1 ZINC001448913352 891808103 /nfs/dbraw/zinc/80/81/03/891808103.db2.gz BOAAMRYFRWIHMF-DGCLKSJQSA-N 1 2 297.359 -1.192 20 0 CAADLO Cn1nnc(CN[C@@H](CO)CNC(=O)Cc2c[nH]c[nH+]2)n1 ZINC001448898377 891808586 /nfs/dbraw/zinc/80/85/86/891808586.db2.gz FZPJTVGXPRZXAP-SECBINFHSA-N 1 2 294.319 -2.257 20 0 CAADLO Cn1ncc(C[NH2+][C@H](CO)CNC(=O)c2ccncn2)n1 ZINC001448923067 891812336 /nfs/dbraw/zinc/81/23/36/891812336.db2.gz NLBPPIGMWRLWIZ-JTQLQIEISA-N 1 2 291.315 -1.514 20 0 CAADLO Cn1ncc(C[NH2+][C@H](CO)CNC(=O)c2cnn(C)n2)n1 ZINC001448920656 891812459 /nfs/dbraw/zinc/81/24/59/891812459.db2.gz IHYFXYXCNGUPCP-VIFPVBQESA-N 1 2 294.319 -2.176 20 0 CAADLO Cn1cnnc1C[NH2+][C@H](CO)CNC(=O)Cc1ccc[nH]1 ZINC001448946490 891816015 /nfs/dbraw/zinc/81/60/15/891816015.db2.gz DPVOMFISQFLIOM-NSHDSACASA-N 1 2 292.343 -1.047 20 0 CAADLO CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)Cc1nnc[nH]1 ZINC001448941714 891816355 /nfs/dbraw/zinc/81/63/55/891816355.db2.gz VJAONUKSLYBJHR-MRVPVSSYSA-N 1 2 284.320 -2.450 20 0 CAADLO O=C(C[NH+]1CCCC1)NC[C@H](CO)[NH2+]Cc1n[nH]c(=O)[n-]1 ZINC001448957386 891816452 /nfs/dbraw/zinc/81/64/52/891816452.db2.gz RQOGEBGZYQZXON-SECBINFHSA-N 1 2 298.347 -1.827 20 0 CAADLO C[C@H](NC(N)=O)C(=O)N(C)CCNC(=O)Cn1cc[nH+]c1 ZINC001448991147 891820649 /nfs/dbraw/zinc/82/06/49/891820649.db2.gz WLNBJJUSARFWQD-VIFPVBQESA-N 1 2 296.331 -1.486 20 0 CAADLO CN(CCNC(=O)Cn1cc[nH+]c1)C(=O)c1cn(C)nn1 ZINC001448982663 891821696 /nfs/dbraw/zinc/82/16/96/891821696.db2.gz CTRUHELFSGAFLZ-UHFFFAOYSA-N 1 2 291.315 -1.100 20 0 CAADLO C[C@@H](C(N)=O)[N@H+](C)C[C@H](O)CN(C)C(=O)Cc1ccn[nH]1 ZINC001449192791 891841807 /nfs/dbraw/zinc/84/18/07/891841807.db2.gz VGMJZURZNCEVLY-ONGXEEELSA-N 1 2 297.359 -1.423 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+](C)C[C@H](O)CN(C)C(=O)Cc1ccn[nH]1 ZINC001449192791 891841822 /nfs/dbraw/zinc/84/18/22/891841822.db2.gz VGMJZURZNCEVLY-ONGXEEELSA-N 1 2 297.359 -1.423 20 0 CAADLO CN(C[C@H](O)C[N@H+](C)CC(N)=O)C(=O)CCc1cn[nH]n1 ZINC001449218873 891843887 /nfs/dbraw/zinc/84/38/87/891843887.db2.gz UYIUGVWDKRNJDD-SNVBAGLBSA-N 1 2 298.347 -2.026 20 0 CAADLO CN(C[C@H](O)C[N@@H+](C)CC(N)=O)C(=O)CCc1cn[nH]n1 ZINC001449218873 891843910 /nfs/dbraw/zinc/84/39/10/891843910.db2.gz UYIUGVWDKRNJDD-SNVBAGLBSA-N 1 2 298.347 -2.026 20 0 CAADLO CN(C[C@H](O)C[N@H+](C)CC(N)=O)C(=O)CCc1c[nH]nn1 ZINC001449218873 891843931 /nfs/dbraw/zinc/84/39/31/891843931.db2.gz UYIUGVWDKRNJDD-SNVBAGLBSA-N 1 2 298.347 -2.026 20 0 CAADLO CN(C[C@H](O)C[N@@H+](C)CC(N)=O)C(=O)CCc1c[nH]nn1 ZINC001449218873 891843941 /nfs/dbraw/zinc/84/39/41/891843941.db2.gz UYIUGVWDKRNJDD-SNVBAGLBSA-N 1 2 298.347 -2.026 20 0 CAADLO COCC[N@H+](CCNC(=O)c1[nH]nnc1C)[C@@H](C)C(N)=O ZINC001449336342 891846881 /nfs/dbraw/zinc/84/68/81/891846881.db2.gz GPRYMANXAUFBFR-VIFPVBQESA-N 1 2 298.347 -1.335 20 0 CAADLO COCC[N@@H+](CCNC(=O)c1[nH]nnc1C)[C@@H](C)C(N)=O ZINC001449336342 891846899 /nfs/dbraw/zinc/84/68/99/891846899.db2.gz GPRYMANXAUFBFR-VIFPVBQESA-N 1 2 298.347 -1.335 20 0 CAADLO COCC[N@H+](CCNC(=O)c1ncn(C)n1)[C@@H](C)C(N)=O ZINC001449326820 891848067 /nfs/dbraw/zinc/84/80/67/891848067.db2.gz JHSXOSIEVYGQHT-VIFPVBQESA-N 1 2 298.347 -1.633 20 0 CAADLO COCC[N@@H+](CCNC(=O)c1ncn(C)n1)[C@@H](C)C(N)=O ZINC001449326820 891848086 /nfs/dbraw/zinc/84/80/86/891848086.db2.gz JHSXOSIEVYGQHT-VIFPVBQESA-N 1 2 298.347 -1.633 20 0 CAADLO COCC[N@H+](CCNC(=O)c1[nH]c(=O)[nH]c1C)CC(N)=O ZINC001449325261 891848617 /nfs/dbraw/zinc/84/86/17/891848617.db2.gz FSKDIVXYDQZQNH-UHFFFAOYSA-N 1 2 299.331 -1.413 20 0 CAADLO COCC[N@@H+](CCNC(=O)c1[nH]c(=O)[nH]c1C)CC(N)=O ZINC001449325261 891848631 /nfs/dbraw/zinc/84/86/31/891848631.db2.gz FSKDIVXYDQZQNH-UHFFFAOYSA-N 1 2 299.331 -1.413 20 0 CAADLO CN(CCNC(=O)Cc1c[nH]c[nH+]1)C(=O)Cn1nccn1 ZINC001449270107 891848677 /nfs/dbraw/zinc/84/86/77/891848677.db2.gz LNTGYEQBQFCERS-UHFFFAOYSA-N 1 2 291.315 -1.182 20 0 CAADLO CNC(=O)C[N@H+](CCNC(=O)c1ccnn1C)CCOC ZINC001449325024 891849273 /nfs/dbraw/zinc/84/92/73/891849273.db2.gz KFQZTFRILTWSCQ-UHFFFAOYSA-N 1 2 297.359 -1.156 20 0 CAADLO CNC(=O)C[N@@H+](CCNC(=O)c1ccnn1C)CCOC ZINC001449325024 891849297 /nfs/dbraw/zinc/84/92/97/891849297.db2.gz KFQZTFRILTWSCQ-UHFFFAOYSA-N 1 2 297.359 -1.156 20 0 CAADLO CC(C)N(CC[N@H+](C)CC(N)=O)C(=O)CCNC(N)=O ZINC001449268913 891849405 /nfs/dbraw/zinc/84/94/05/891849405.db2.gz FOVNBNSDQHZFRO-UHFFFAOYSA-N 1 2 287.364 -1.301 20 0 CAADLO CC(C)N(CC[N@@H+](C)CC(N)=O)C(=O)CCNC(N)=O ZINC001449268913 891849421 /nfs/dbraw/zinc/84/94/21/891849421.db2.gz FOVNBNSDQHZFRO-UHFFFAOYSA-N 1 2 287.364 -1.301 20 0 CAADLO COCC[N@H+](CCNC(=O)c1ncc[nH]1)[C@@H](C)C(N)=O ZINC001449325207 891850190 /nfs/dbraw/zinc/85/01/90/891850190.db2.gz CKZPLXUJIQEYPC-VIFPVBQESA-N 1 2 283.332 -1.038 20 0 CAADLO COCC[N@@H+](CCNC(=O)c1ncc[nH]1)[C@@H](C)C(N)=O ZINC001449325207 891850220 /nfs/dbraw/zinc/85/02/20/891850220.db2.gz CKZPLXUJIQEYPC-VIFPVBQESA-N 1 2 283.332 -1.038 20 0 CAADLO Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC001449948753 891858798 /nfs/dbraw/zinc/85/87/98/891858798.db2.gz NINFBLLQGPWBPX-OCAPTIKFSA-N 1 2 262.269 -1.008 20 0 CAADLO CC(=O)N1CC[NH+](CCN(C)C(=O)[C@@H]2CCC(=O)N2)CC1 ZINC001450119698 891861803 /nfs/dbraw/zinc/86/18/03/891861803.db2.gz ZDPQJFITGVRJKA-LBPRGKRZSA-N 1 2 296.371 -1.113 20 0 CAADLO CC(=O)N(C)CC[NH+]1CCN(C(=O)Cc2nnc[nH]2)CC1 ZINC001450082240 891862943 /nfs/dbraw/zinc/86/29/43/891862943.db2.gz ACJVMMITBJMDMQ-UHFFFAOYSA-N 1 2 294.359 -1.030 20 0 CAADLO NC(=O)NCCC(=O)N1CC(NC(=O)Cn2cc[nH+]c2)C1 ZINC001450388313 891873425 /nfs/dbraw/zinc/87/34/25/891873425.db2.gz ARAOGVRQBAWQPT-UHFFFAOYSA-N 1 2 294.315 -1.732 20 0 CAADLO O=C(Cc1[nH]cc[nH+]1)NCC1CN(C(=O)c2cn[nH]n2)C1 ZINC001450692446 891879187 /nfs/dbraw/zinc/87/91/87/891879187.db2.gz RMTIUULJBFVKRW-UHFFFAOYSA-N 1 2 289.299 -1.041 20 0 CAADLO O=C(Cc1[nH]cc[nH+]1)NC[C@H](O)Cn1ccnn1 ZINC001451060204 891886500 /nfs/dbraw/zinc/88/65/00/891886500.db2.gz FICITJDFTWKRBV-QMMMGPOBSA-N 1 2 250.262 -1.279 20 0 CAADLO CCOCC(=O)NC[C@H](CO)NC(=O)Cc1[nH]cc[nH+]1 ZINC001451317739 891895924 /nfs/dbraw/zinc/89/59/24/891895924.db2.gz NJMHINDIIUYCIM-SECBINFHSA-N 1 2 284.316 -1.418 20 0 CAADLO COC[C@H](C)C(=O)NC[C@H](CO)NC(=O)Cn1cc[nH+]c1 ZINC001451345368 891898566 /nfs/dbraw/zinc/89/85/66/891898566.db2.gz VDEIHEWACHGXRE-WDEREUQCSA-N 1 2 298.343 -1.241 20 0 CAADLO COC[C@@H](C)C(=O)NC[C@H](CO)NC(=O)Cn1cc[nH+]c1 ZINC001451345356 891899396 /nfs/dbraw/zinc/89/93/96/891899396.db2.gz VDEIHEWACHGXRE-GHMZBOCLSA-N 1 2 298.343 -1.241 20 0 CAADLO COC[C@H](C)C(=O)NC[C@@H](CO)NC(=O)Cn1cc[nH+]c1 ZINC001451345364 891899953 /nfs/dbraw/zinc/89/99/53/891899953.db2.gz VDEIHEWACHGXRE-QWRGUYRKSA-N 1 2 298.343 -1.241 20 0 CAADLO CCO[C@H](C)C(=O)NC[C@H](CO)NC(=O)Cn1cc[nH+]c1 ZINC001451332450 891900042 /nfs/dbraw/zinc/90/00/42/891900042.db2.gz DGGWLFLGOPDRND-GHMZBOCLSA-N 1 2 298.343 -1.099 20 0 CAADLO CO[C@H](C)C(=O)NC[C@@H](CO)NC(=O)Cn1cc[nH+]c1 ZINC001451349943 891901797 /nfs/dbraw/zinc/90/17/97/891901797.db2.gz XLEVMKIFZYEGCK-ZJUUUORDSA-N 1 2 284.316 -1.489 20 0 CAADLO CO[C@H](C)C(=O)NC[C@H](CO)NC(=O)Cn1cc[nH+]c1 ZINC001451349906 891903078 /nfs/dbraw/zinc/90/30/78/891903078.db2.gz XLEVMKIFZYEGCK-NXEZZACHSA-N 1 2 284.316 -1.489 20 0 CAADLO CC(C)(O)CC(=O)NC[C@H](CO)NC(=O)Cn1cc[nH+]c1 ZINC001451382249 891905000 /nfs/dbraw/zinc/90/50/00/891905000.db2.gz ONMSJSDQULPGNG-SNVBAGLBSA-N 1 2 298.343 -1.363 20 0 CAADLO CO[C@H](C)C(=O)N[C@H](CO)CNC(=O)Cn1cc[nH+]c1 ZINC001451427874 891909402 /nfs/dbraw/zinc/90/94/02/891909402.db2.gz OWEDSUMJDZAJFC-ZJUUUORDSA-N 1 2 284.316 -1.489 20 0 CAADLO CO[C@H](C)C(=O)N[C@H](CO)CNC(=O)CCn1cc[nH+]c1 ZINC001451454788 891909736 /nfs/dbraw/zinc/90/97/36/891909736.db2.gz IIQLMHPKWRJSHP-MNOVXSKESA-N 1 2 298.343 -1.099 20 0 CAADLO COCCC(=O)N[C@H](CO)CNC(=O)Cc1[nH]c[nH+]c1C ZINC001451480196 891914014 /nfs/dbraw/zinc/91/40/14/891914014.db2.gz WOKHREZWOJAWKX-JTQLQIEISA-N 1 2 298.343 -1.110 20 0 CAADLO COCC(=O)N[C@H](CO)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001451523587 891915544 /nfs/dbraw/zinc/91/55/44/891915544.db2.gz QZTFREUWIWBZTO-QMMMGPOBSA-N 1 2 270.289 -1.808 20 0 CAADLO O=C(Cc1c[nH]c[nH+]1)NC[C@@H](CO)NC(=O)[C@H]1CCOC1 ZINC001451601075 891920763 /nfs/dbraw/zinc/92/07/63/891920763.db2.gz HGBFAVPWTQXSNW-ONGXEEELSA-N 1 2 296.327 -1.418 20 0 CAADLO O=C(Cc1c[nH]c[nH+]1)NC[C@@H](CO)NC(=O)[C@@H]1CCOC1 ZINC001451601049 891920805 /nfs/dbraw/zinc/92/08/05/891920805.db2.gz HGBFAVPWTQXSNW-KOLCDFICSA-N 1 2 296.327 -1.418 20 0 CAADLO CC(=O)N[C@@H](CC(=O)N[C@@H]1CCc2c[nH+]cn2C1)C(N)=O ZINC001452138586 891932169 /nfs/dbraw/zinc/93/21/69/891932169.db2.gz BDSQUVRYDUBCCK-KOLCDFICSA-N 1 2 293.327 -1.306 20 0 CAADLO COCC(=O)NC[C@H](O)CNC(=O)CCc1c[nH+]cn1C ZINC001452241002 891940566 /nfs/dbraw/zinc/94/05/66/891940566.db2.gz XLZBVSIJRNAFIC-LLVKDONJSA-N 1 2 298.343 -1.408 20 0 CAADLO O=C(Cc1c[nH]c[nH+]1)NC[C@H](O)CNC(=O)c1cn[nH]c1 ZINC001452303154 891945272 /nfs/dbraw/zinc/94/52/72/891945272.db2.gz ZLTPDVFPKWBZBE-JTQLQIEISA-N 1 2 292.299 -1.418 20 0 CAADLO O=C(Cc1[nH]cc[nH+]1)NC[C@H](O)CNC(=O)c1cn[nH]c1 ZINC001452301276 891945392 /nfs/dbraw/zinc/94/53/92/891945392.db2.gz XJCIZYLZXRYFRS-VIFPVBQESA-N 1 2 292.299 -1.418 20 0 CAADLO O=C(Cc1[nH]cc[nH+]1)NC[C@H](O)CNC(=O)[C@@H]1CCOC1 ZINC001452307911 891946127 /nfs/dbraw/zinc/94/61/27/891946127.db2.gz PJRWULGNSCSZNN-ZJUUUORDSA-N 1 2 296.327 -1.418 20 0 CAADLO O=C(Cc1c[nH]c[nH+]1)NC[C@@H](O)CNC(=O)c1cn[nH]c1 ZINC001452303157 891946660 /nfs/dbraw/zinc/94/66/60/891946660.db2.gz ZLTPDVFPKWBZBE-SNVBAGLBSA-N 1 2 292.299 -1.418 20 0 CAADLO O=C(Cc1[nH]cc[nH+]1)NC[C@@H](O)CNC(=O)[C@H]1CCOC1 ZINC001452307898 891946725 /nfs/dbraw/zinc/94/67/25/891946725.db2.gz PJRWULGNSCSZNN-VHSXEESVSA-N 1 2 296.327 -1.418 20 0 CAADLO C[C@H](CNC(=O)[C@H]1C[C@H]1C(N)=O)NC(=O)Cn1cc[nH+]c1 ZINC001452583922 891952100 /nfs/dbraw/zinc/95/21/00/891952100.db2.gz FFXGVGSCQPNITA-BBBLOLIVSA-N 1 2 293.327 -1.375 20 0 CAADLO COCC(=O)N[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1OC ZINC001452707713 891955911 /nfs/dbraw/zinc/95/59/11/891955911.db2.gz BPIMFEJYDFUGFJ-NXEZZACHSA-N 1 2 296.327 -1.059 20 0 CAADLO COCC(=O)N[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@@H]1O ZINC001452740167 891959194 /nfs/dbraw/zinc/95/91/94/891959194.db2.gz OZFNPWWYNGLPBT-MNOVXSKESA-N 1 2 296.327 -1.393 20 0 CAADLO C[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)NC(=O)c1nnn(C)n1 ZINC001452944053 891966030 /nfs/dbraw/zinc/96/60/30/891966030.db2.gz XNYGPBIICPTTSE-ZETCQYMHSA-N 1 2 292.303 -1.590 20 0 CAADLO C[C@@H](CNC(=O)[C@H]1CCC(=O)N1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001453003862 891967001 /nfs/dbraw/zinc/96/70/01/891967001.db2.gz WICIAQMXMPMHQW-WCBMZHEXSA-N 1 2 293.327 -1.148 20 0 CAADLO COCC(=O)N[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1O ZINC001453231113 891974781 /nfs/dbraw/zinc/97/47/81/891974781.db2.gz KVOKULQWHKHNHQ-QWRGUYRKSA-N 1 2 296.327 -1.323 20 0 CAADLO C[N@H+](CC(=O)NCc1nc(CO)n[nH]1)[C@@H]1CCC[C@H]1O ZINC001453802420 891983390 /nfs/dbraw/zinc/98/33/90/891983390.db2.gz OXVKRFKOGOGTSP-RKDXNWHRSA-N 1 2 283.332 -1.242 20 0 CAADLO C[N@@H+](CC(=O)NCc1nc(CO)n[nH]1)[C@@H]1CCC[C@H]1O ZINC001453802420 891983395 /nfs/dbraw/zinc/98/33/95/891983395.db2.gz OXVKRFKOGOGTSP-RKDXNWHRSA-N 1 2 283.332 -1.242 20 0 CAADLO Cn1cc[nH+]c1CCC(=O)N1C[C@H](C(N)=O)[C@@H](C(N)=O)C1 ZINC001454157532 891989034 /nfs/dbraw/zinc/98/90/34/891989034.db2.gz DREUVGAWFQDMKN-IUCAKERBSA-N 1 2 293.327 -1.602 20 0 CAADLO Cn1c[nH+]cc1[C@H](CO)NC(=O)[C@@H]1COCCO1 ZINC001454172364 891992325 /nfs/dbraw/zinc/99/23/25/891992325.db2.gz UWSTUDDZXUSQAW-WPRPVWTQSA-N 1 2 255.274 -1.015 20 0 CAADLO Cn1c[nH+]cc1[C@@H](CO)NC(=O)C1CS(=O)(=O)C1 ZINC001454167199 891993097 /nfs/dbraw/zinc/99/30/97/891993097.db2.gz CXOFFTROFOSHID-MRVPVSSYSA-N 1 2 273.314 -1.386 20 0 CAADLO Cn1c[nH+]cc1[C@H](CO)NC(=O)CCCS(N)(=O)=O ZINC001454176834 891993755 /nfs/dbraw/zinc/99/37/55/891993755.db2.gz ZVSLTBKSLXCRIX-QMMMGPOBSA-N 1 2 290.345 -1.362 20 0 CAADLO Cn1c[nH+]cc1CCC(=O)N1C[C@H](C(N)=O)[C@H](C(N)=O)C1 ZINC001454170568 891993836 /nfs/dbraw/zinc/99/38/36/891993836.db2.gz RAYZUXPNILKDLV-AOOOYVTPSA-N 1 2 293.327 -1.602 20 0 CAADLO Cn1c[nH+]cc1CCC(=O)N1C[C@@H](C(N)=O)[C@H](C(N)=O)C1 ZINC001454170572 891994569 /nfs/dbraw/zinc/99/45/69/891994569.db2.gz RAYZUXPNILKDLV-NXEZZACHSA-N 1 2 293.327 -1.602 20 0 CAADLO CC(C)(C(=O)N1C[C@H](C(N)=O)[C@H](C(N)=O)C1)c1c[nH+]c[nH]1 ZINC001454168148 891995299 /nfs/dbraw/zinc/99/52/99/891995299.db2.gz OIHQGNFMWZBZJY-OCAPTIKFSA-N 1 2 293.327 -1.268 20 0 CAADLO O=C(CC[N@@H+]1CC[C@@H](F)C1)N[C@@H]1CS(=O)(=O)C[C@H]1O ZINC001454436246 892003138 /nfs/dbraw/zinc/00/31/38/892003138.db2.gz YYTHPUVTIGQJMZ-OPRDCNLKSA-N 1 2 294.348 -1.306 20 0 CAADLO O=C(CC[N@H+]1CC[C@@H](F)C1)N[C@@H]1CS(=O)(=O)C[C@H]1O ZINC001454436246 892003155 /nfs/dbraw/zinc/00/31/55/892003155.db2.gz YYTHPUVTIGQJMZ-OPRDCNLKSA-N 1 2 294.348 -1.306 20 0 CAADLO C[C@@H](CNC(=O)CCn1cc[nH+]c1)NC(=O)CNC(N)=O ZINC001454693564 892012700 /nfs/dbraw/zinc/01/27/00/892012700.db2.gz KTHBGGKNFUIPTH-VIFPVBQESA-N 1 2 296.331 -1.438 20 0 CAADLO CCn1cc(CC(=O)N2CC[N@H+](C)[C@@H](CO)C2)nn1 ZINC001454663113 892013028 /nfs/dbraw/zinc/01/30/28/892013028.db2.gz MPZRPBNGQNAOEN-LLVKDONJSA-N 1 2 267.333 -1.025 20 0 CAADLO CCn1cc(CC(=O)N2CC[N@@H+](C)[C@@H](CO)C2)nn1 ZINC001454663113 892013044 /nfs/dbraw/zinc/01/30/44/892013044.db2.gz MPZRPBNGQNAOEN-LLVKDONJSA-N 1 2 267.333 -1.025 20 0 CAADLO O=C(CCc1nc[nH]n1)NC[C@]1(CO)COCC[NH2+]1 ZINC001454785345 892017747 /nfs/dbraw/zinc/01/77/47/892017747.db2.gz UOXMQQIMGOMOMZ-NSHDSACASA-N 1 2 269.305 -1.796 20 0 CAADLO CC(C)C(=O)N[C@@H](CO)C(=O)N[C@H](CO)Cc1c[nH]c[nH+]1 ZINC001455026617 892021485 /nfs/dbraw/zinc/02/14/85/892021485.db2.gz NLDGRBYACQEGBZ-QWRGUYRKSA-N 1 2 298.343 -1.438 20 0 CAADLO CC(C)C(=O)N[C@@H](CO)C(=O)N[C@H](CO)Cc1c[nH+]c[nH]1 ZINC001455026617 892021502 /nfs/dbraw/zinc/02/15/02/892021502.db2.gz NLDGRBYACQEGBZ-QWRGUYRKSA-N 1 2 298.343 -1.438 20 0 CAADLO O=C(CN1CCOCC1=O)N[C@H](CO)Cc1c[nH]c[nH+]1 ZINC001455025669 892022697 /nfs/dbraw/zinc/02/26/97/892022697.db2.gz LVJJECNAKXOZRQ-JTQLQIEISA-N 1 2 282.300 -1.712 20 0 CAADLO O=C(CN1CCOCC1=O)N[C@H](CO)Cc1c[nH+]c[nH]1 ZINC001455025669 892022712 /nfs/dbraw/zinc/02/27/12/892022712.db2.gz LVJJECNAKXOZRQ-JTQLQIEISA-N 1 2 282.300 -1.712 20 0 CAADLO CN(CCNC(=O)[C@@H]1COC(=O)N1)C(=O)Cn1cc[nH+]c1 ZINC001455220803 892034671 /nfs/dbraw/zinc/03/46/71/892034671.db2.gz IDXINARJQISNMS-VIFPVBQESA-N 1 2 295.299 -1.434 20 0 CAADLO CN(CCNC(=O)Cn1cc[nH+]c1)C(=O)CCNC(N)=O ZINC001455316052 892036200 /nfs/dbraw/zinc/03/62/00/892036200.db2.gz OTDLOKTZAPEKOW-UHFFFAOYSA-N 1 2 296.331 -1.484 20 0 CAADLO CN(CCNC(=O)Cn1cc[nH+]c1)C(=O)Cn1nccn1 ZINC001455317186 892038166 /nfs/dbraw/zinc/03/81/66/892038166.db2.gz YTBHGOWEZQJSKJ-UHFFFAOYSA-N 1 2 291.315 -1.251 20 0 CAADLO CN(CCNC(=O)Cc1[nH]cc[nH+]1)C(=O)c1cn[nH]n1 ZINC001455429016 892043612 /nfs/dbraw/zinc/04/36/12/892043612.db2.gz JVLXOYASCDZIBR-UHFFFAOYSA-N 1 2 277.288 -1.041 20 0 CAADLO CN(CCNC(=O)Cc1[nH]cc[nH+]1)C(=O)[C@@H]1CCC(=O)N1 ZINC001455436457 892043681 /nfs/dbraw/zinc/04/36/81/892043681.db2.gz YMGYGTQYLXDIQP-VIFPVBQESA-N 1 2 293.327 -1.195 20 0 CAADLO CN(CCNC(=O)Cc1c[nH]c[nH+]1)C(=O)Cn1ncnn1 ZINC001455490047 892045734 /nfs/dbraw/zinc/04/57/34/892045734.db2.gz NZZGOIBSWVDKGV-UHFFFAOYSA-N 1 2 292.303 -1.787 20 0 CAADLO CNC(=O)NCC(=O)N(C)CCNC(=O)Cc1c[nH]c[nH+]1 ZINC001455491436 892046871 /nfs/dbraw/zinc/04/68/71/892046871.db2.gz ZESFTMZXAAWVLU-UHFFFAOYSA-N 1 2 296.331 -1.544 20 0 CAADLO O=C(Cc1[nH]cc[nH+]1)NCc1nnc2c(=O)[nH]ccn12 ZINC001455888080 892058745 /nfs/dbraw/zinc/05/87/45/892058745.db2.gz BFPFHSQUCWUZDI-UHFFFAOYSA-N 1 2 273.256 -1.000 20 0 CAADLO CNC(=O)C[N@@H+]1CCCN(C(=O)[C@H]2CC(=O)N2)CC1 ZINC001456041689 892061754 /nfs/dbraw/zinc/06/17/54/892061754.db2.gz SXWGYCXMCJFOOI-SECBINFHSA-N 1 2 268.317 -1.845 20 0 CAADLO CNC(=O)C[N@H+]1CCCN(C(=O)[C@H]2CC(=O)N2)CC1 ZINC001456041689 892061766 /nfs/dbraw/zinc/06/17/66/892061766.db2.gz SXWGYCXMCJFOOI-SECBINFHSA-N 1 2 268.317 -1.845 20 0 CAADLO COC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)CC(N)=O ZINC001456311749 892070300 /nfs/dbraw/zinc/07/03/00/892070300.db2.gz MMIUDMBOHUMVPQ-SSDOTTSWSA-N 1 2 254.246 -1.515 20 0 CAADLO COC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)CC(N)=O ZINC001456311749 892070322 /nfs/dbraw/zinc/07/03/22/892070322.db2.gz MMIUDMBOHUMVPQ-SSDOTTSWSA-N 1 2 254.246 -1.515 20 0 CAADLO CC(=O)NCC(=O)N1CC(NC(=O)CCn2cc[nH+]c2)C1 ZINC001456360165 892074982 /nfs/dbraw/zinc/07/49/82/892074982.db2.gz SWBWBUWVSOQLNH-UHFFFAOYSA-N 1 2 293.327 -1.264 20 0 CAADLO CC(=O)NCC(=O)NCC1CN(C(=O)Cn2cc[nH+]c2)C1 ZINC001456441771 892080452 /nfs/dbraw/zinc/08/04/52/892080452.db2.gz UBRGQQPUGAYRHQ-UHFFFAOYSA-N 1 2 293.327 -1.406 20 0 CAADLO CNC(=O)[C@@H](O)CNC(=O)CCc1c[nH+]cn1C ZINC001457747140 892100208 /nfs/dbraw/zinc/10/02/08/892100208.db2.gz DLIHXBUUCALFNV-VIFPVBQESA-N 1 2 254.290 -1.424 20 0 CAADLO O=C(Cc1c[nH]c[nH+]1)NC[C@@H](O)CNC(=O)[C@@H]1CCCO1 ZINC001457907723 892108154 /nfs/dbraw/zinc/10/81/54/892108154.db2.gz JMFWKVHGDJPOFS-MNOVXSKESA-N 1 2 296.327 -1.276 20 0 CAADLO O=C(Cc1[nH]cc[nH+]1)NC[C@H](O)CNC(=O)[C@@H]1CCCO1 ZINC001457920607 892108708 /nfs/dbraw/zinc/10/87/08/892108708.db2.gz VYOHHSIOUWFAQE-UWVGGRQHSA-N 1 2 296.327 -1.276 20 0 CAADLO O=C(Cc1[nH]cc[nH+]1)NC[C@@H](O)CNC(=O)[C@H]1CCCO1 ZINC001457920601 892109266 /nfs/dbraw/zinc/10/92/66/892109266.db2.gz VYOHHSIOUWFAQE-NXEZZACHSA-N 1 2 296.327 -1.276 20 0 CAADLO COC[C@@H](C)C(=O)NC[C@@H](O)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001457946763 892110526 /nfs/dbraw/zinc/11/05/26/892110526.db2.gz UBJDIECQIRIFTB-KOLCDFICSA-N 1 2 298.343 -1.172 20 0 CAADLO O=C(Cc1[nH]cc[nH+]1)NC[C@@H](O)CNC(=O)c1ccon1 ZINC001457932755 892112140 /nfs/dbraw/zinc/11/21/40/892112140.db2.gz UJKHQGQPIUBJAB-MRVPVSSYSA-N 1 2 293.283 -1.153 20 0 CAADLO Cn1ncc2c1nc[nH+]c2N1CC(NS(N)(=O)=O)C1 ZINC001458538340 892122109 /nfs/dbraw/zinc/12/21/09/892122109.db2.gz FDCZDOWQNINDDT-UHFFFAOYSA-N 1 2 283.317 -1.655 20 0 CAADLO C[C@@H](CNC(=O)CNC(N)=O)NC(=O)CCn1cc[nH+]c1 ZINC001458487710 892123871 /nfs/dbraw/zinc/12/38/71/892123871.db2.gz ZTFJZZAYRYOVJP-VIFPVBQESA-N 1 2 296.331 -1.438 20 0 CAADLO CC(=O)NCC(=O)N1CC[C@@H]1CNC(=O)Cc1c[nH]c[nH+]1 ZINC001458834691 892129205 /nfs/dbraw/zinc/12/92/05/892129205.db2.gz LWKRNOHFSHUJCI-LLVKDONJSA-N 1 2 293.327 -1.195 20 0 CAADLO CO[C@@H]1CS(=O)(=O)C[C@@H]1[NH+]1CCC(NC(N)=O)CC1 ZINC001459607620 892137110 /nfs/dbraw/zinc/13/71/10/892137110.db2.gz YZSFQIUVUZSREH-VHSXEESVSA-N 1 2 291.373 -1.069 20 0 CAADLO O=C1NC(=O)N2CC[N@@H+](C[C@H](O)C[C@@]3(O)CCOC3)C[C@H]12 ZINC001459877043 892138792 /nfs/dbraw/zinc/13/87/92/892138792.db2.gz QFVATIYRXKQZGW-BREBYQMCSA-N 1 2 299.327 -1.875 20 0 CAADLO O=C1NC(=O)N2CC[N@H+](C[C@H](O)C[C@@]3(O)CCOC3)C[C@H]12 ZINC001459877043 892138797 /nfs/dbraw/zinc/13/87/97/892138797.db2.gz QFVATIYRXKQZGW-BREBYQMCSA-N 1 2 299.327 -1.875 20 0 CAADLO COCCN1CC[N@H+](C[C@@H](O)C(C)(C)O)CC1=O ZINC001459777397 892139001 /nfs/dbraw/zinc/13/90/01/892139001.db2.gz FMDVEOORNPBRHD-SNVBAGLBSA-N 1 2 260.334 -1.091 20 0 CAADLO COCCN1CC[N@@H+](C[C@@H](O)C(C)(C)O)CC1=O ZINC001459777397 892139007 /nfs/dbraw/zinc/13/90/07/892139007.db2.gz FMDVEOORNPBRHD-SNVBAGLBSA-N 1 2 260.334 -1.091 20 0 CAADLO CNC(=O)Cc1noc(C[N@@H+]2C[C@@H]3C(=O)NC(=O)[C@@H]3C2)n1 ZINC001460129533 892139999 /nfs/dbraw/zinc/13/99/99/892139999.db2.gz MFRQERUUDAFMGY-KNVOCYPGSA-N 1 2 293.283 -1.938 20 0 CAADLO CNC(=O)Cc1noc(C[N@H+]2C[C@@H]3C(=O)NC(=O)[C@@H]3C2)n1 ZINC001460129533 892140007 /nfs/dbraw/zinc/14/00/07/892140007.db2.gz MFRQERUUDAFMGY-KNVOCYPGSA-N 1 2 293.283 -1.938 20 0 CAADLO CNS(=O)(=O)N1CC[NH+](CCN2CCNC2=O)CC1 ZINC001460178903 892145232 /nfs/dbraw/zinc/14/52/32/892145232.db2.gz VLQFSUZLSWAFHK-UHFFFAOYSA-N 1 2 291.377 -1.907 20 0 CAADLO COC[C@@](C)(CO)[NH2+]Cc1nnc2c(=O)[nH]ccn12 ZINC001460619497 892148274 /nfs/dbraw/zinc/14/82/74/892148274.db2.gz OWZVHZIZCFNPRA-LLVKDONJSA-N 1 2 267.289 -1.095 20 0 CAADLO CN1CCn2c(C[N@H+](C)C[C@@H]3CNC(=O)C3)nnc2C1=O ZINC001460772117 892153538 /nfs/dbraw/zinc/15/35/38/892153538.db2.gz BEHWDLQVJBDUMC-VIFPVBQESA-N 1 2 292.343 -1.068 20 0 CAADLO CN1CCn2c(C[N@@H+](C)C[C@@H]3CNC(=O)C3)nnc2C1=O ZINC001460772117 892153542 /nfs/dbraw/zinc/15/35/42/892153542.db2.gz BEHWDLQVJBDUMC-VIFPVBQESA-N 1 2 292.343 -1.068 20 0 CAADLO CC(C)NC(=O)[C@H](C)[NH2+]Cc1cn(CC(N)=O)nn1 ZINC001461581476 892155268 /nfs/dbraw/zinc/15/52/68/892155268.db2.gz HVXBROJKEMPHNH-QMMMGPOBSA-N 1 2 268.321 -1.234 20 0 CAADLO O=c1[nH]ccn2c(C[N@H+]3C[C@H](CCO)[C@H](CO)C3)nnc12 ZINC001460968763 892156642 /nfs/dbraw/zinc/15/66/42/892156642.db2.gz YIRFDQPEAJIYIN-UWVGGRQHSA-N 1 2 293.327 -1.160 20 0 CAADLO O=c1[nH]ccn2c(C[N@@H+]3C[C@H](CCO)[C@H](CO)C3)nnc12 ZINC001460968763 892156656 /nfs/dbraw/zinc/15/66/56/892156656.db2.gz YIRFDQPEAJIYIN-UWVGGRQHSA-N 1 2 293.327 -1.160 20 0 CAADLO CCn1ncc(C[NH2+]C[C@]2(O)CCS(=O)(=O)C2)n1 ZINC001461509154 892156913 /nfs/dbraw/zinc/15/69/13/892156913.db2.gz FEJCOKOSKMOHFZ-SNVBAGLBSA-N 1 2 274.346 -1.063 20 0 CAADLO CN1C(=O)CC[C@H]([NH2+]Cc2cn(CC(N)=O)nn2)C1=O ZINC001461594745 892159217 /nfs/dbraw/zinc/15/92/17/892159217.db2.gz PGZMMQNUYXEKIM-QMMMGPOBSA-N 1 2 280.288 -2.000 20 0 CAADLO COC(=O)[C@H]1CC[N@H+](Cc2cn(CC(N)=O)nn2)C1 ZINC001461868760 892160068 /nfs/dbraw/zinc/16/00/68/892160068.db2.gz FGKFCOWIBFRBJW-QMMMGPOBSA-N 1 2 267.289 -1.242 20 0 CAADLO COC(=O)[C@H]1CC[N@@H+](Cc2cn(CC(N)=O)nn2)C1 ZINC001461868760 892160076 /nfs/dbraw/zinc/16/00/76/892160076.db2.gz FGKFCOWIBFRBJW-QMMMGPOBSA-N 1 2 267.289 -1.242 20 0 CAADLO COC(=O)N1CC(C)([NH2+]Cc2cn(CC(N)=O)nn2)C1 ZINC001462085994 892160109 /nfs/dbraw/zinc/16/01/09/892160109.db2.gz JYFZTNVPYZUUOB-UHFFFAOYSA-N 1 2 282.304 -1.306 20 0 CAADLO C[C@]1([NH2+]Cc2cn(CC(N)=O)nn2)CCNC1=O ZINC001461788655 892161362 /nfs/dbraw/zinc/16/13/62/892161362.db2.gz MWAKTDGKVRQNAS-JTQLQIEISA-N 1 2 252.278 -1.868 20 0 CAADLO NC(=O)NC(=O)CCNS(=O)(=O)CCn1cc[nH+]c1 ZINC001463319635 892167139 /nfs/dbraw/zinc/16/71/39/892167139.db2.gz JNECQNOGDXCDLQ-UHFFFAOYSA-N 1 2 289.317 -1.613 20 0 CAADLO CNC(=O)[C@@H](CO)NS(=O)(=O)N1CC[NH+](C)CC1 ZINC001463486275 892167358 /nfs/dbraw/zinc/16/73/58/892167358.db2.gz ZLUOGXQNQRYYNR-MRVPVSSYSA-N 1 2 280.350 -2.825 20 0 CAADLO NC(=O)N[C@@H]1CCN(S(=O)(=O)CCn2cc[nH+]c2)C1 ZINC001463443697 892167636 /nfs/dbraw/zinc/16/76/36/892167636.db2.gz RKQMAYAMTMZTHD-SECBINFHSA-N 1 2 287.345 -1.045 20 0 CAADLO CNC(=O)[C@H](CO)NS(=O)(=O)N1CC[NH+](C)CC1 ZINC001463486276 892168217 /nfs/dbraw/zinc/16/82/17/892168217.db2.gz ZLUOGXQNQRYYNR-QMMMGPOBSA-N 1 2 280.350 -2.825 20 0 CAADLO CO[C@@](C)(CO)CNS(=O)(=O)N1CC[NH+](C)CC1 ZINC001463977328 892177465 /nfs/dbraw/zinc/17/74/65/892177465.db2.gz KTGDLOUHECBJJU-SNVBAGLBSA-N 1 2 281.378 -1.534 20 0 CAADLO CO[C@](C)(CO)CNS(=O)(=O)N1CC[NH+](C)CC1 ZINC001463977321 892179055 /nfs/dbraw/zinc/17/90/55/892179055.db2.gz KTGDLOUHECBJJU-JTQLQIEISA-N 1 2 281.378 -1.534 20 0 CAADLO COC(=O)C[C@H]1C(=O)NCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001464127452 892182201 /nfs/dbraw/zinc/18/22/01/892182201.db2.gz UEVPZPHGZMNQLZ-VIFPVBQESA-N 1 2 280.284 -1.158 20 0 CAADLO Cn1cc(S(=O)(=O)NC[C@@H]2CC[N@@H+]2C)c(=O)[nH]c1=O ZINC001464595674 892187943 /nfs/dbraw/zinc/18/79/43/892187943.db2.gz IQXQWVBGUDZBHD-ZETCQYMHSA-N 1 2 288.329 -1.532 20 0 CAADLO Cn1cc(S(=O)(=O)NC[C@@H]2CC[N@H+]2C)c(=O)[nH]c1=O ZINC001464595674 892187954 /nfs/dbraw/zinc/18/79/54/892187954.db2.gz IQXQWVBGUDZBHD-ZETCQYMHSA-N 1 2 288.329 -1.532 20 0 CAADLO Cn1cc(S(=O)(=O)NC[C@H]2CC[N@@H+]2C)c(=O)[nH]c1=O ZINC001464595667 892188443 /nfs/dbraw/zinc/18/84/43/892188443.db2.gz IQXQWVBGUDZBHD-SSDOTTSWSA-N 1 2 288.329 -1.532 20 0 CAADLO Cn1cc(S(=O)(=O)NC[C@H]2CC[N@H+]2C)c(=O)[nH]c1=O ZINC001464595667 892188446 /nfs/dbraw/zinc/18/84/46/892188446.db2.gz IQXQWVBGUDZBHD-SSDOTTSWSA-N 1 2 288.329 -1.532 20 0 CAADLO CN1CC[NH+](C(C)(C)CNC(=O)C2(O)COC2)CC1 ZINC001464874610 892195648 /nfs/dbraw/zinc/19/56/48/892195648.db2.gz OPRFRKGFIYRXDL-UHFFFAOYSA-N 1 2 271.361 -1.110 20 0 CAADLO C[C@H]1COCC[N@@H+]1CCNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001464948762 892198983 /nfs/dbraw/zinc/19/89/83/892198983.db2.gz LJFGVFPXQOZCED-AEJSXWLSSA-N 1 2 255.318 -1.055 20 0 CAADLO C[C@H]1COCC[N@H+]1CCNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001464948762 892198991 /nfs/dbraw/zinc/19/89/91/892198991.db2.gz LJFGVFPXQOZCED-AEJSXWLSSA-N 1 2 255.318 -1.055 20 0 CAADLO CC(C)[C@H](NC(N)=O)C(=O)N[C@H]1CCC[N@H+](CC(N)=O)C1 ZINC001464921989 892199227 /nfs/dbraw/zinc/19/92/27/892199227.db2.gz DQJKZEXSNNYDKA-ONGXEEELSA-N 1 2 299.375 -1.255 20 0 CAADLO CC(C)[C@H](NC(N)=O)C(=O)N[C@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001464921989 892199241 /nfs/dbraw/zinc/19/92/41/892199241.db2.gz DQJKZEXSNNYDKA-ONGXEEELSA-N 1 2 299.375 -1.255 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@@H](NC(=O)CCNC(=O)CO)C1 ZINC001464927523 892199472 /nfs/dbraw/zinc/19/94/72/892199472.db2.gz UGJPMSONWJHUOI-SECBINFHSA-N 1 2 286.332 -2.449 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@@H](NC(=O)CCNC(=O)CO)C1 ZINC001464927523 892199483 /nfs/dbraw/zinc/19/94/83/892199483.db2.gz UGJPMSONWJHUOI-SECBINFHSA-N 1 2 286.332 -2.449 20 0 CAADLO NC(=O)N[C@H](CO)C(=O)N1CC(n2cc[nH+]c2)C1 ZINC001465206841 892203598 /nfs/dbraw/zinc/20/35/98/892203598.db2.gz WGJKORFXJGHLBK-MRVPVSSYSA-N 1 2 253.262 -1.704 20 0 CAADLO NC(=O)N[C@@H](CO)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC001465975949 892212374 /nfs/dbraw/zinc/21/23/74/892212374.db2.gz DREPZDPCVCNWRE-VIFPVBQESA-N 1 2 277.284 -1.020 20 0 CAADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)Nc1ncn(C)n1 ZINC001466720983 892234624 /nfs/dbraw/zinc/23/46/24/892234624.db2.gz YRTNKYWOWMPAPM-SNVBAGLBSA-N 1 2 298.347 -1.028 20 0 CAADLO O=C(CN1C(=O)CNC1=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC001467288479 892244091 /nfs/dbraw/zinc/24/40/91/892244091.db2.gz CSEGWAMPTLFLPW-QMMMGPOBSA-N 1 2 277.284 -1.134 20 0 CAADLO O=C(NCCn1cc[nH+]c1)NC[C@H](O)Cn1ccnn1 ZINC001468288501 892266797 /nfs/dbraw/zinc/26/67/97/892266797.db2.gz QYBLJSVCHQQFKG-JTQLQIEISA-N 1 2 279.304 -1.165 20 0 CAADLO CC(=O)NCC(=O)NCC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC001468259371 892268319 /nfs/dbraw/zinc/26/83/19/892268319.db2.gz YYLIVAHEUPCXMC-SECBINFHSA-N 1 2 279.300 -1.824 20 0 CAADLO Cc1[nH+]c[nH]c1CC(=O)N1CCN(CC(N)=O)C(=O)C1 ZINC001468882764 892283649 /nfs/dbraw/zinc/28/36/49/892283649.db2.gz ZBEOGLDAOILLTG-UHFFFAOYSA-N 1 2 279.300 -1.583 20 0 CAADLO Cn1c(CNC(=O)[C@]2(C)C[C@H](O)C[N@@H+]2C)n[nH]c1=O ZINC001469511192 892297666 /nfs/dbraw/zinc/29/76/66/892297666.db2.gz DZFUFDDHGWUQAB-CPCISQLKSA-N 1 2 269.305 -1.408 20 0 CAADLO Cn1c(CNC(=O)[C@]2(C)C[C@H](O)C[N@H+]2C)n[nH]c1=O ZINC001469511192 892297680 /nfs/dbraw/zinc/29/76/80/892297680.db2.gz DZFUFDDHGWUQAB-CPCISQLKSA-N 1 2 269.305 -1.408 20 0 CAADLO Cn1c(CNC(=O)[C@]2(C)C[C@@H](O)C[N@@H+]2C)n[nH]c1=O ZINC001469511193 892297852 /nfs/dbraw/zinc/29/78/52/892297852.db2.gz DZFUFDDHGWUQAB-HQJQHLMTSA-N 1 2 269.305 -1.408 20 0 CAADLO Cn1c(CNC(=O)[C@]2(C)C[C@@H](O)C[N@H+]2C)n[nH]c1=O ZINC001469511193 892297868 /nfs/dbraw/zinc/29/78/68/892297868.db2.gz DZFUFDDHGWUQAB-HQJQHLMTSA-N 1 2 269.305 -1.408 20 0 CAADLO NC(=O)C1=NO[C@@H](CNC(=O)N[C@@H]2Cc3c[nH+]cn3C2)C1 ZINC001470136581 892305461 /nfs/dbraw/zinc/30/54/61/892305461.db2.gz SGJNGCOOMITHOT-VXNVDRBHSA-N 1 2 292.299 -1.263 20 0 CAADLO NC(=O)C1=NO[C@@H](CNC(=O)N[C@H]2Cc3c[nH+]cn3C2)C1 ZINC001470136580 892305777 /nfs/dbraw/zinc/30/57/77/892305777.db2.gz SGJNGCOOMITHOT-IONNQARKSA-N 1 2 292.299 -1.263 20 0 CAADLO NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)CCc1c[nH]c[nH+]1 ZINC001470127687 892305878 /nfs/dbraw/zinc/30/58/78/892305878.db2.gz BMASZTXUROLYPH-BDAKNGLRSA-N 1 2 252.274 -1.211 20 0 CAADLO NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)CCc1c[nH+]c[nH]1 ZINC001470127687 892305898 /nfs/dbraw/zinc/30/58/98/892305898.db2.gz BMASZTXUROLYPH-BDAKNGLRSA-N 1 2 252.274 -1.211 20 0 CAADLO NC(=O)[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@H]1C(N)=O ZINC001470560776 892317185 /nfs/dbraw/zinc/31/71/85/892317185.db2.gz DSXIUHLKFGAPNQ-BGZDPUMWSA-N 1 2 291.311 -1.442 20 0 CAADLO NC(=O)[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@H]1C(N)=O ZINC001470560776 892317203 /nfs/dbraw/zinc/31/72/03/892317203.db2.gz DSXIUHLKFGAPNQ-BGZDPUMWSA-N 1 2 291.311 -1.442 20 0 CAADLO O=C(N[C@H]1CCn2c[nH+]cc21)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001470554989 892318331 /nfs/dbraw/zinc/31/83/31/892318331.db2.gz QLZNJOCSLWOGDY-YUMQZZPRSA-N 1 2 298.324 -1.643 20 0 CAADLO Cn1c[nH+]cc1[C@H](CO)NC(=O)[C@@H]1COC(=O)N1 ZINC001470566714 892322439 /nfs/dbraw/zinc/32/24/39/892322439.db2.gz FRWVYXFUCJKZQB-BQBZGAKWSA-N 1 2 254.246 -1.322 20 0 CAADLO COC(=O)NCC(=O)N[C@H](CO)c1c[nH+]cn1C ZINC001470568243 892323089 /nfs/dbraw/zinc/32/30/89/892323089.db2.gz FHCVFTSZYKJRLF-SSDOTTSWSA-N 1 2 256.262 -1.074 20 0 CAADLO Cn1c[nH+]cc1CC(=O)N1CC(NS(N)(=O)=O)C1 ZINC001470760955 892329977 /nfs/dbraw/zinc/32/99/77/892329977.db2.gz KFZTVMSBPIEJBE-UHFFFAOYSA-N 1 2 273.318 -2.034 20 0 CAADLO NC(=O)N[C@@H](CO)C(=O)N1CCc2cc[nH+]c(N)c2C1 ZINC001470908063 892335829 /nfs/dbraw/zinc/33/58/29/892335829.db2.gz RORBTNXLKFOSTA-VIFPVBQESA-N 1 2 279.300 -1.422 20 0 CAADLO O=C(N1CC[NH2+][C@@H](c2cn[nH]c2)C1)C1(O)COC1 ZINC001470889808 892339186 /nfs/dbraw/zinc/33/91/86/892339186.db2.gz TZXMNFCXMMVKMK-SECBINFHSA-N 1 2 252.274 -1.356 20 0 CAADLO NC(=O)N[C@H](CO)C(=O)N1CCc2cc[nH+]c(N)c2C1 ZINC001470908061 892339454 /nfs/dbraw/zinc/33/94/54/892339454.db2.gz RORBTNXLKFOSTA-SECBINFHSA-N 1 2 279.300 -1.422 20 0 CAADLO O=C(NCC[N@H+]1CC[C@@H](O)C1)C1CCS(=O)(=O)CC1 ZINC001470960085 892342677 /nfs/dbraw/zinc/34/26/77/892342677.db2.gz BBKXXFBWQZDVDB-LLVKDONJSA-N 1 2 290.385 -1.006 20 0 CAADLO O=C(NCC[N@@H+]1CC[C@@H](O)C1)C1CCS(=O)(=O)CC1 ZINC001470960085 892342697 /nfs/dbraw/zinc/34/26/97/892342697.db2.gz BBKXXFBWQZDVDB-LLVKDONJSA-N 1 2 290.385 -1.006 20 0 CAADLO O=C(NC[C@]1(CO)COCC[NH2+]1)c1cnncc1O ZINC001471179107 892349733 /nfs/dbraw/zinc/34/97/33/892349733.db2.gz UNJJZZDKUJWILD-NSHDSACASA-N 1 2 268.273 -1.737 20 0 CAADLO O=C(N[C@H](CO)Cc1c[nH]c[nH+]1)[C@@H]1CCC(=O)NC1 ZINC001471332979 892352359 /nfs/dbraw/zinc/35/23/59/892352359.db2.gz FEVYSJAXBKVTGV-SCZZXKLOSA-N 1 2 266.301 -1.045 20 0 CAADLO O=C(N[C@H](CO)Cc1c[nH+]c[nH]1)[C@@H]1CCC(=O)NC1 ZINC001471332979 892352385 /nfs/dbraw/zinc/35/23/85/892352385.db2.gz FEVYSJAXBKVTGV-SCZZXKLOSA-N 1 2 266.301 -1.045 20 0 CAADLO O=C(CCc1[nH]c(O)nc1O)N[C@H](CO)Cc1c[nH+]c[nH]1 ZINC001471332911 892353445 /nfs/dbraw/zinc/35/34/45/892353445.db2.gz CZVNSXIPZNCSAO-DTWKUNHWSA-N 1 2 295.299 -1.583 20 0 CAADLO O=C(CCn1cc[nH+]c1)NCc1nnc2n1CCNC2=O ZINC001471588174 892359938 /nfs/dbraw/zinc/35/99/38/892359938.db2.gz YQMQOMJPROCEME-UHFFFAOYSA-N 1 2 289.299 -1.076 20 0 CAADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C1(O)COC1 ZINC001471646745 892365810 /nfs/dbraw/zinc/36/58/10/892365810.db2.gz BSBCMFYLDBXVKB-QMMMGPOBSA-N 1 2 268.273 -2.056 20 0 CAADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C1(O)COC1 ZINC001471646745 892365826 /nfs/dbraw/zinc/36/58/26/892365826.db2.gz BSBCMFYLDBXVKB-QMMMGPOBSA-N 1 2 268.273 -2.056 20 0 CAADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1cnn(C)c1N ZINC001471647338 892366436 /nfs/dbraw/zinc/36/64/36/892366436.db2.gz QLHSUBHFBXATGJ-VIFPVBQESA-N 1 2 291.315 -1.188 20 0 CAADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1cnn(C)c1N ZINC001471647338 892366456 /nfs/dbraw/zinc/36/64/56/892366456.db2.gz QLHSUBHFBXATGJ-VIFPVBQESA-N 1 2 291.315 -1.188 20 0 CAADLO CC[C@H](C[NH+]1CCOCC1)NC(=O)Cn1nnc(N)n1 ZINC001471937884 892376871 /nfs/dbraw/zinc/37/68/71/892376871.db2.gz VDCJJMABOSOFEF-SECBINFHSA-N 1 2 283.336 -1.518 20 0 CAADLO CNC(=O)[C@@H](O)CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001472544545 892401462 /nfs/dbraw/zinc/40/14/62/892401462.db2.gz AJYDUBDLVUGBFS-WPRPVWTQSA-N 1 2 266.301 -1.331 20 0 CAADLO O=C(CN1C(=O)CCC1=O)N1CC[NH+](C[C@H](O)CO)CC1 ZINC001473152889 892410224 /nfs/dbraw/zinc/41/02/24/892410224.db2.gz NECGPAQVLSQSEB-JTQLQIEISA-N 1 2 299.327 -2.367 20 0 CAADLO CC(C)(C(N)=O)N1CC[NH+](CCCS(N)(=O)=O)CC1 ZINC001473205299 892410325 /nfs/dbraw/zinc/41/03/25/892410325.db2.gz GLZDFGYYKGSWFY-UHFFFAOYSA-N 1 2 292.405 -1.454 20 0 CAADLO CC(C)(C(N)=O)[NH+]1CCN(CCCS(N)(=O)=O)CC1 ZINC001473205299 892410334 /nfs/dbraw/zinc/41/03/34/892410334.db2.gz GLZDFGYYKGSWFY-UHFFFAOYSA-N 1 2 292.405 -1.454 20 0 CAADLO CC(C)(C(N)=O)[NH+]1CCN(CCN2C(=O)CNC2=O)CC1 ZINC001473206602 892411133 /nfs/dbraw/zinc/41/11/33/892411133.db2.gz SSTOUOORELBRSU-UHFFFAOYSA-N 1 2 297.359 -1.580 20 0 CAADLO CC(C)(C(N)=O)N1CC[NH+](CCN2C(=O)CNC2=O)CC1 ZINC001473206602 892411148 /nfs/dbraw/zinc/41/11/48/892411148.db2.gz SSTOUOORELBRSU-UHFFFAOYSA-N 1 2 297.359 -1.580 20 0 CAADLO CC[N@H+](CC(=O)NC)CC1(O)CCS(=O)(=O)CC1 ZINC001473117978 892411382 /nfs/dbraw/zinc/41/13/82/892411382.db2.gz SQVVFFKHSFMSOT-UHFFFAOYSA-N 1 2 278.374 -1.006 20 0 CAADLO CC[N@@H+](CC(=O)NC)CC1(O)CCS(=O)(=O)CC1 ZINC001473117978 892411396 /nfs/dbraw/zinc/41/13/96/892411396.db2.gz SQVVFFKHSFMSOT-UHFFFAOYSA-N 1 2 278.374 -1.006 20 0 CAADLO C[S@@](=O)CC[NH+]1CCN(CCNS(C)(=O)=O)CC1 ZINC001473226301 892414215 /nfs/dbraw/zinc/41/42/15/892414215.db2.gz QYGNHHZYJGOIRN-QGZVFWFLSA-N 1 2 297.446 -1.468 20 0 CAADLO Nc1nn2c(nc(C[N@@H+]3CCSC[C@H]3CO)cc2=O)[nH]1 ZINC001473283229 892414806 /nfs/dbraw/zinc/41/48/06/892414806.db2.gz OKEQHVRXIILMOY-MRVPVSSYSA-N 1 2 296.356 -1.091 20 0 CAADLO Nc1nn2c(nc(C[N@H+]3CCSC[C@H]3CO)cc2=O)[nH]1 ZINC001473283229 892414809 /nfs/dbraw/zinc/41/48/09/892414809.db2.gz OKEQHVRXIILMOY-MRVPVSSYSA-N 1 2 296.356 -1.091 20 0 CAADLO Nc1nn2c(nc(C[N@@H+]3CCSC[C@@H]3CO)cc2=O)[nH]1 ZINC001473283237 892414966 /nfs/dbraw/zinc/41/49/66/892414966.db2.gz OKEQHVRXIILMOY-QMMMGPOBSA-N 1 2 296.356 -1.091 20 0 CAADLO Nc1nn2c(nc(C[N@H+]3CCSC[C@@H]3CO)cc2=O)[nH]1 ZINC001473283237 892414973 /nfs/dbraw/zinc/41/49/73/892414973.db2.gz OKEQHVRXIILMOY-QMMMGPOBSA-N 1 2 296.356 -1.091 20 0 CAADLO C[C@H](O)[C@@H](O)CN1CC[NH+](CC[S@@](C)=O)CC1 ZINC001473226406 892415733 /nfs/dbraw/zinc/41/57/33/892415733.db2.gz TXDZWAABYFZAJF-PSVSLLHZSA-N 1 2 264.391 -1.276 20 0 CAADLO CS(=O)(=O)CC[NH+]1CCC2(CC1)NC(=O)NC2=O ZINC001473350117 892416478 /nfs/dbraw/zinc/41/64/78/892416478.db2.gz CDIWUJQYCHERCX-UHFFFAOYSA-N 1 2 275.330 -1.295 20 0 CAADLO Cn1ccn2c(C[NH2+]C(CO)CO)nnc2c1=O ZINC001473488029 892417669 /nfs/dbraw/zinc/41/76/69/892417669.db2.gz GUXLRZLZBKVDOB-UHFFFAOYSA-N 1 2 253.262 -2.129 20 0 CAADLO CNS(=O)(=O)N1CC[NH+](C[C@](C)(O)C(=O)OC)CC1 ZINC001473516201 892418776 /nfs/dbraw/zinc/41/87/76/892418776.db2.gz IFVMJYJWSBTZSL-JTQLQIEISA-N 1 2 295.361 -2.008 20 0 CAADLO CON(C)C(=O)C[N@H+](CCO)CCOCCO ZINC001473539712 892418948 /nfs/dbraw/zinc/41/89/48/892418948.db2.gz UNBYFJRMCZZXIP-UHFFFAOYSA-N 1 2 250.295 -1.691 20 0 CAADLO CON(C)C(=O)C[N@@H+](CCO)CCOCCO ZINC001473539712 892418952 /nfs/dbraw/zinc/41/89/52/892418952.db2.gz UNBYFJRMCZZXIP-UHFFFAOYSA-N 1 2 250.295 -1.691 20 0 CAADLO O=c1cc(C[N@@H+]2C[C@H](O)[C@@H](CO)C2)nc2cc[nH]n21 ZINC001473538284 892419278 /nfs/dbraw/zinc/41/92/78/892419278.db2.gz LGDBCFXVSNRIPX-SCZZXKLOSA-N 1 2 264.285 -1.192 20 0 CAADLO O=c1cc(C[N@H+]2C[C@H](O)[C@@H](CO)C2)nc2cc[nH]n21 ZINC001473538284 892419292 /nfs/dbraw/zinc/41/92/92/892419292.db2.gz LGDBCFXVSNRIPX-SCZZXKLOSA-N 1 2 264.285 -1.192 20 0 CAADLO CCS(=O)(=O)NCCC[N@@H+]1CCOC[C@H]1CC(N)=O ZINC001473557606 892419630 /nfs/dbraw/zinc/41/96/30/892419630.db2.gz AHTMEQWZEHNQHZ-SNVBAGLBSA-N 1 2 293.389 -1.108 20 0 CAADLO CCS(=O)(=O)NCCC[N@H+]1CCOC[C@H]1CC(N)=O ZINC001473557606 892419637 /nfs/dbraw/zinc/41/96/37/892419637.db2.gz AHTMEQWZEHNQHZ-SNVBAGLBSA-N 1 2 293.389 -1.108 20 0 CAADLO O=c1cc(C[N@H+]2C[C@H](CO)[C@H](O)C2)nc2cc[nH]n21 ZINC001473538283 892419800 /nfs/dbraw/zinc/41/98/00/892419800.db2.gz LGDBCFXVSNRIPX-PSASIEDQSA-N 1 2 264.285 -1.192 20 0 CAADLO O=c1cc(C[N@@H+]2C[C@H](CO)[C@H](O)C2)nc2cc[nH]n21 ZINC001473538283 892419808 /nfs/dbraw/zinc/41/98/08/892419808.db2.gz LGDBCFXVSNRIPX-PSASIEDQSA-N 1 2 264.285 -1.192 20 0 CAADLO C[C@H](NC(=O)C[N@@H+]1C[C@@H](O)[C@H](CO)C1)C(=O)N(C)C ZINC001473538067 892420172 /nfs/dbraw/zinc/42/01/72/892420172.db2.gz DHZAKHVAATVBBQ-LPEHRKFASA-N 1 2 273.333 -2.136 20 0 CAADLO C[C@H](NC(=O)C[N@H+]1C[C@@H](O)[C@H](CO)C1)C(=O)N(C)C ZINC001473538067 892420179 /nfs/dbraw/zinc/42/01/79/892420179.db2.gz DHZAKHVAATVBBQ-LPEHRKFASA-N 1 2 273.333 -2.136 20 0 CAADLO CN(C)c1nc(N)nc(C[NH+]2[C@H](CO)CC[C@H]2CO)n1 ZINC001473594114 892421601 /nfs/dbraw/zinc/42/16/01/892421601.db2.gz DEHNREIYIIVSIA-IUCAKERBSA-N 1 2 282.348 -1.163 20 0 CAADLO NS(=O)(=O)CCC[N@@H+]1CCO[C@@H](Cn2ccnn2)C1 ZINC001473660613 892421732 /nfs/dbraw/zinc/42/17/32/892421732.db2.gz QOWJLHNZVCFFMG-SNVBAGLBSA-N 1 2 289.361 -1.343 20 0 CAADLO NS(=O)(=O)CCC[N@H+]1CCO[C@@H](Cn2ccnn2)C1 ZINC001473660613 892421737 /nfs/dbraw/zinc/42/17/37/892421737.db2.gz QOWJLHNZVCFFMG-SNVBAGLBSA-N 1 2 289.361 -1.343 20 0 CAADLO NC(=O)[C@H]1C[N@H+](CC(=O)Nc2nccs2)C[C@H]1C(N)=O ZINC001473642073 892422880 /nfs/dbraw/zinc/42/28/80/892422880.db2.gz DBXOCYODWLRDOO-KNVOCYPGSA-N 1 2 297.340 -1.400 20 0 CAADLO NC(=O)[C@H]1C[N@@H+](CC(=O)Nc2nccs2)C[C@H]1C(N)=O ZINC001473642073 892422891 /nfs/dbraw/zinc/42/28/91/892422891.db2.gz DBXOCYODWLRDOO-KNVOCYPGSA-N 1 2 297.340 -1.400 20 0 CAADLO CCc1nnc(C[NH+]2C[C@H](C(N)=O)[C@@H](C(N)=O)C2)[nH]1 ZINC001473642680 892422942 /nfs/dbraw/zinc/42/29/42/892422942.db2.gz MLBQFJDFGKHTLF-BQBZGAKWSA-N 1 2 266.305 -1.614 20 0 CAADLO COC(=O)CNC(=O)[C@H](C)[N@@H+]1CC[C@@H](NC(C)=O)C1 ZINC001473567335 892423420 /nfs/dbraw/zinc/42/34/20/892423420.db2.gz LQIAXQOPBQDTMA-WCBMZHEXSA-N 1 2 271.317 -1.126 20 0 CAADLO COC(=O)CNC(=O)[C@H](C)[N@H+]1CC[C@@H](NC(C)=O)C1 ZINC001473567335 892423423 /nfs/dbraw/zinc/42/34/23/892423423.db2.gz LQIAXQOPBQDTMA-WCBMZHEXSA-N 1 2 271.317 -1.126 20 0 CAADLO CCc1nnc(C[N@@H+]2C[C@H](C(N)=O)[C@H](C(N)=O)C2)[nH]1 ZINC001473642681 892423476 /nfs/dbraw/zinc/42/34/76/892423476.db2.gz MLBQFJDFGKHTLF-KNVOCYPGSA-N 1 2 266.305 -1.614 20 0 CAADLO CCc1nnc(C[N@H+]2C[C@H](C(N)=O)[C@H](C(N)=O)C2)[nH]1 ZINC001473642681 892423485 /nfs/dbraw/zinc/42/34/85/892423485.db2.gz MLBQFJDFGKHTLF-KNVOCYPGSA-N 1 2 266.305 -1.614 20 0 CAADLO COCCOC[C@H](O)C[NH+]1CCN(S(N)(=O)=O)CC1 ZINC001473755807 892425479 /nfs/dbraw/zinc/42/54/79/892425479.db2.gz UBYSIBCHWJFIBL-SNVBAGLBSA-N 1 2 297.377 -2.169 20 0 CAADLO CN1C(=O)[C@H]2C[N@H+](Cc3nnc4n3CCOC4)C[C@H]2C1=O ZINC001473723316 892426227 /nfs/dbraw/zinc/42/62/27/892426227.db2.gz BCQQEOJVGAZCGT-DTORHVGOSA-N 1 2 291.311 -1.145 20 0 CAADLO CN1C(=O)[C@H]2C[N@@H+](Cc3nnc4n3CCOC4)C[C@H]2C1=O ZINC001473723316 892426235 /nfs/dbraw/zinc/42/62/35/892426235.db2.gz BCQQEOJVGAZCGT-DTORHVGOSA-N 1 2 291.311 -1.145 20 0 CAADLO CNC(=O)N[C@H]1CCC[N@H+](CC(=O)NC(N)=O)C1 ZINC001473794854 892426625 /nfs/dbraw/zinc/42/66/25/892426625.db2.gz UWSYHGGCHLVMAL-ZETCQYMHSA-N 1 2 257.294 -1.425 20 0 CAADLO CNC(=O)N[C@H]1CCC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001473794854 892426636 /nfs/dbraw/zinc/42/66/36/892426636.db2.gz UWSYHGGCHLVMAL-ZETCQYMHSA-N 1 2 257.294 -1.425 20 0 CAADLO CS(=O)(=O)CC[NH+]1CCC(O)(COCCO)CC1 ZINC001473809276 892426918 /nfs/dbraw/zinc/42/69/18/892426918.db2.gz NAIPGUWXLQZVKH-UHFFFAOYSA-N 1 2 281.374 -1.133 20 0 CAADLO C[C@H]1COCC[N@@H+]1CCN1CC(=O)NCC12COC2 ZINC001473772404 892427782 /nfs/dbraw/zinc/42/77/82/892427782.db2.gz ZXHYSYYCMUZBDN-NSHDSACASA-N 1 2 269.345 -1.092 20 0 CAADLO C[C@H]1COCC[N@H+]1CCN1CC(=O)NCC12COC2 ZINC001473772404 892427788 /nfs/dbraw/zinc/42/77/88/892427788.db2.gz ZXHYSYYCMUZBDN-NSHDSACASA-N 1 2 269.345 -1.092 20 0 CAADLO Cn1[nH]c(C[NH+]2CCC(CO)(CO)CC2)nc1=O ZINC001473779334 892428018 /nfs/dbraw/zinc/42/80/18/892428018.db2.gz NDWNEDXMGLJUSS-UHFFFAOYSA-N 1 2 256.306 -1.325 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cc1nnc[nH]1 ZINC001474191435 892430606 /nfs/dbraw/zinc/43/06/06/892430606.db2.gz PGFCILZCZKSEDE-ZJUUUORDSA-N 1 2 292.343 -1.102 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cc1nnc[nH]1 ZINC001474191435 892430615 /nfs/dbraw/zinc/43/06/15/892430615.db2.gz PGFCILZCZKSEDE-ZJUUUORDSA-N 1 2 292.343 -1.102 20 0 CAADLO C[C@@H]([NH2+]CCN1CCCS1(=O)=O)c1nnnn1C ZINC001473861051 892431331 /nfs/dbraw/zinc/43/13/31/892431331.db2.gz NBFNHJHYJMHPSJ-MRVPVSSYSA-N 1 2 274.350 -1.104 20 0 CAADLO NC(=O)Cn1cc(C[NH2+]CC(=O)NCC(F)F)nn1 ZINC001474131300 892432233 /nfs/dbraw/zinc/43/22/33/892432233.db2.gz NEIUJSFDDIJEIX-UHFFFAOYSA-N 1 2 276.247 -1.766 20 0 CAADLO CC(C)NC(=O)CN(C)S(=O)(=O)N1CC[NH+](C)CC1 ZINC001474790527 892434292 /nfs/dbraw/zinc/43/42/92/892434292.db2.gz SYUBDVDUVOTPCP-UHFFFAOYSA-N 1 2 292.405 -1.065 20 0 CAADLO C[C@H]1CC[N@H+](Cc2cn(CC(N)=O)nn2)C[C@H]1O ZINC001474500774 892434448 /nfs/dbraw/zinc/43/44/48/892434448.db2.gz HTBKJOSIOLNRNQ-WCBMZHEXSA-N 1 2 253.306 -1.034 20 0 CAADLO C[C@H]1CC[N@@H+](Cc2cn(CC(N)=O)nn2)C[C@H]1O ZINC001474500774 892434452 /nfs/dbraw/zinc/43/44/52/892434452.db2.gz HTBKJOSIOLNRNQ-WCBMZHEXSA-N 1 2 253.306 -1.034 20 0 CAADLO C[C@@H]1C[N@H+](Cc2cn(CC(N)=O)nn2)CC[C@H]1O ZINC001474464795 892434849 /nfs/dbraw/zinc/43/48/49/892434849.db2.gz VEJIJIUUDBNXML-PSASIEDQSA-N 1 2 253.306 -1.034 20 0 CAADLO C[C@@H]1C[N@@H+](Cc2cn(CC(N)=O)nn2)CC[C@H]1O ZINC001474464795 892434852 /nfs/dbraw/zinc/43/48/52/892434852.db2.gz VEJIJIUUDBNXML-PSASIEDQSA-N 1 2 253.306 -1.034 20 0 CAADLO CC(C)CNC(=O)CNS(=O)(=O)N1CC[NH+](C)CC1 ZINC001474807101 892435402 /nfs/dbraw/zinc/43/54/02/892435402.db2.gz MUZXIDDOYIFVNA-UHFFFAOYSA-N 1 2 292.405 -1.160 20 0 CAADLO C[N@H+](Cc1cn(CC(N)=O)nn1)CC1(CO)CC1 ZINC001474456039 892436287 /nfs/dbraw/zinc/43/62/87/892436287.db2.gz AXJDUSYJEPKKGA-UHFFFAOYSA-N 1 2 253.306 -1.032 20 0 CAADLO C[N@@H+](Cc1cn(CC(N)=O)nn1)CC1(CO)CC1 ZINC001474456039 892436299 /nfs/dbraw/zinc/43/62/99/892436299.db2.gz AXJDUSYJEPKKGA-UHFFFAOYSA-N 1 2 253.306 -1.032 20 0 CAADLO C[C@@H]1CCNC(=O)[C@H]1NS(=O)(=O)N1CC[NH+](C)CC1 ZINC001475234758 892437360 /nfs/dbraw/zinc/43/73/60/892437360.db2.gz KQLNWJMGGKAJRE-ZJUUUORDSA-N 1 2 290.389 -1.407 20 0 CAADLO C[C@H]1CN(S(=O)(=O)N2CC[NH+](C)CC2)C[C@H]1O ZINC001475112448 892438152 /nfs/dbraw/zinc/43/81/52/892438152.db2.gz WTFFQXCMGQPUBU-VHSXEESVSA-N 1 2 263.363 -1.209 20 0 CAADLO COC(=O)[C@@H](CO)NS(=O)(=O)CCn1cc[nH+]c1 ZINC001475141001 892438766 /nfs/dbraw/zinc/43/87/66/892438766.db2.gz VIPOLKAAHCTQTG-MRVPVSSYSA-N 1 2 277.302 -1.664 20 0 CAADLO CCC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)C1 ZINC001475418122 892441838 /nfs/dbraw/zinc/44/18/38/892441838.db2.gz XUTGPLQIBGUXAI-UHFFFAOYSA-N 1 2 290.389 -1.010 20 0 CAADLO C[C@@H](CNS(=O)(=O)CCS(C)(=O)=O)[NH+](C)C ZINC001475305467 892442508 /nfs/dbraw/zinc/44/25/08/892442508.db2.gz XFKBRVSXLLRZOU-QMMMGPOBSA-N 1 2 272.392 -1.100 20 0 CAADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NS(=O)(=O)CCOC ZINC001475682614 892449888 /nfs/dbraw/zinc/44/98/88/892449888.db2.gz QRTHNPXYYAARNF-VIFPVBQESA-N 1 2 290.345 -1.367 20 0 CAADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NS(=O)(=O)CCOC ZINC001475682614 892449899 /nfs/dbraw/zinc/44/98/99/892449899.db2.gz QRTHNPXYYAARNF-VIFPVBQESA-N 1 2 290.345 -1.367 20 0 CAADLO CNC(=O)c1n[nH]nc1NC(=O)N1CC[NH+](C)CC1 ZINC001477053583 892451818 /nfs/dbraw/zinc/45/18/18/892451818.db2.gz PAJNRAQPAJCRPD-UHFFFAOYSA-N 1 2 267.293 -1.056 20 0 CAADLO C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@@H]1COC[C@H]1O ZINC001477302977 892454270 /nfs/dbraw/zinc/45/42/70/892454270.db2.gz ZUNPLFYPVVOTLV-GMTAPVOTSA-N 1 2 273.333 -1.234 20 0 CAADLO Cn1c[nH+]c(CCNC(=O)NCCN2CCNC(=O)C2)c1 ZINC001478413120 892458632 /nfs/dbraw/zinc/45/86/32/892458632.db2.gz LASBXPICWLLKDA-UHFFFAOYSA-N 1 2 294.359 -1.306 20 0 CAADLO CNS(=O)(=O)NCC(=O)N(C)C[C@H]1CC[N@@H+]1CCF ZINC001479235117 892468869 /nfs/dbraw/zinc/46/88/69/892468869.db2.gz PXNRIAFTLAANPM-SECBINFHSA-N 1 2 296.368 -1.458 20 0 CAADLO CNS(=O)(=O)NCC(=O)N(C)C[C@H]1CC[N@H+]1CCF ZINC001479235117 892468873 /nfs/dbraw/zinc/46/88/73/892468873.db2.gz PXNRIAFTLAANPM-SECBINFHSA-N 1 2 296.368 -1.458 20 0 CAADLO CN(C)C(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)Cc1nnc[nH]1 ZINC001479256677 892472819 /nfs/dbraw/zinc/47/28/19/892472819.db2.gz OGRLJYUIWXISFE-JTQLQIEISA-N 1 2 294.359 -1.032 20 0 CAADLO CN(C)C(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)Cc1nnc[nH]1 ZINC001479256677 892472833 /nfs/dbraw/zinc/47/28/33/892472833.db2.gz OGRLJYUIWXISFE-JTQLQIEISA-N 1 2 294.359 -1.032 20 0 CAADLO CCNC(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001479248064 892473598 /nfs/dbraw/zinc/47/35/98/892473598.db2.gz ZNNJKKCERDXQAR-MXWKQRLJSA-N 1 2 296.371 -1.223 20 0 CAADLO CCNC(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001479248064 892473600 /nfs/dbraw/zinc/47/36/00/892473600.db2.gz ZNNJKKCERDXQAR-MXWKQRLJSA-N 1 2 296.371 -1.223 20 0 CAADLO C[C@H](NC(N)=O)C(=O)N[C@H]1CC[N@H+](CC(N)=O)[C@@H]1C ZINC001479704653 892478393 /nfs/dbraw/zinc/47/83/93/892478393.db2.gz VLUZAYGBYWZEKQ-RNJXMRFFSA-N 1 2 271.321 -1.893 20 0 CAADLO C[C@H](NC(N)=O)C(=O)N[C@H]1CC[N@@H+](CC(N)=O)[C@@H]1C ZINC001479704653 892478397 /nfs/dbraw/zinc/47/83/97/892478397.db2.gz VLUZAYGBYWZEKQ-RNJXMRFFSA-N 1 2 271.321 -1.893 20 0 CAADLO CNC(=O)C1(C(=O)N[C@H]2CC[N@H+](CC(N)=O)[C@@H]2C)CC1 ZINC001479722447 892479486 /nfs/dbraw/zinc/47/94/86/892479486.db2.gz UKOVPKVAEMUTDL-BDAKNGLRSA-N 1 2 282.344 -1.423 20 0 CAADLO CNC(=O)C1(C(=O)N[C@H]2CC[N@@H+](CC(N)=O)[C@@H]2C)CC1 ZINC001479722447 892479492 /nfs/dbraw/zinc/47/94/92/892479492.db2.gz UKOVPKVAEMUTDL-BDAKNGLRSA-N 1 2 282.344 -1.423 20 0 CAADLO CNC(=O)C[N@H+](C)CCCNC(=O)c1cnn[nH]1 ZINC001479780795 892480949 /nfs/dbraw/zinc/48/09/49/892480949.db2.gz FOCQLLMMILZJJW-UHFFFAOYSA-N 1 2 254.294 -1.398 20 0 CAADLO CNC(=O)C[N@@H+](C)CCCNC(=O)c1cnn[nH]1 ZINC001479780795 892480957 /nfs/dbraw/zinc/48/09/57/892480957.db2.gz FOCQLLMMILZJJW-UHFFFAOYSA-N 1 2 254.294 -1.398 20 0 CAADLO CCNC(=O)C[N@@H+](C)CCCNC(=O)c1ncn[nH]1 ZINC001479803126 892483863 /nfs/dbraw/zinc/48/38/63/892483863.db2.gz HGQPBYGNHSXXHV-UHFFFAOYSA-N 1 2 268.321 -1.008 20 0 CAADLO CCNC(=O)C[N@H+](C)CCCNC(=O)c1nc[nH]n1 ZINC001479803126 892483874 /nfs/dbraw/zinc/48/38/74/892483874.db2.gz HGQPBYGNHSXXHV-UHFFFAOYSA-N 1 2 268.321 -1.008 20 0 CAADLO CCNC(=O)C[N@@H+](C)CCCNC(=O)c1nc[nH]n1 ZINC001479803126 892483878 /nfs/dbraw/zinc/48/38/78/892483878.db2.gz HGQPBYGNHSXXHV-UHFFFAOYSA-N 1 2 268.321 -1.008 20 0 CAADLO CCNC(=O)C[N@H+](C)CCCNC(=O)c1ncn[nH]1 ZINC001479803126 892483856 /nfs/dbraw/zinc/48/38/56/892483856.db2.gz HGQPBYGNHSXXHV-UHFFFAOYSA-N 1 2 268.321 -1.008 20 0 CAADLO CNC(=O)C[N@@H+]1CCC[C@H](NC(=O)CNC(=O)C2CC2)C1 ZINC001479898568 892486025 /nfs/dbraw/zinc/48/60/25/892486025.db2.gz DYPWUWAYGSBBAR-NSHDSACASA-N 1 2 296.371 -1.161 20 0 CAADLO CNC(=O)C[N@H+]1CCC[C@H](NC(=O)CNC(=O)C2CC2)C1 ZINC001479898568 892486031 /nfs/dbraw/zinc/48/60/31/892486031.db2.gz DYPWUWAYGSBBAR-NSHDSACASA-N 1 2 296.371 -1.161 20 0 CAADLO COCC(=O)NCCN1CC[NH+]([C@@H]2CCCNC2=O)CC1 ZINC001479923060 892487734 /nfs/dbraw/zinc/48/77/34/892487734.db2.gz OLTKXKMNNDYWMX-GFCCVEGCSA-N 1 2 298.387 -1.355 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)C(N)=O)C1 ZINC001479905529 892488090 /nfs/dbraw/zinc/48/80/90/892488090.db2.gz MNTBLCZNSWUVFC-DTWKUNHWSA-N 1 2 284.360 -1.048 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CCC[C@@H](NC(=O)C(C)(C)C(N)=O)C1 ZINC001479905529 892488098 /nfs/dbraw/zinc/48/80/98/892488098.db2.gz MNTBLCZNSWUVFC-DTWKUNHWSA-N 1 2 284.360 -1.048 20 0 CAADLO CCCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCNC2=O)C1 ZINC001479961073 892489947 /nfs/dbraw/zinc/48/99/47/892489947.db2.gz ZBMXPRLNIHRCEF-MNOVXSKESA-N 1 2 296.371 -1.161 20 0 CAADLO CCCNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CCNC2=O)C1 ZINC001479961073 892489956 /nfs/dbraw/zinc/48/99/56/892489956.db2.gz ZBMXPRLNIHRCEF-MNOVXSKESA-N 1 2 296.371 -1.161 20 0 CAADLO CCCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCNC2=O)C1 ZINC001479961075 892490276 /nfs/dbraw/zinc/49/02/76/892490276.db2.gz ZBMXPRLNIHRCEF-WDEREUQCSA-N 1 2 296.371 -1.161 20 0 CAADLO CCCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCNC2=O)C1 ZINC001479961075 892490279 /nfs/dbraw/zinc/49/02/79/892490279.db2.gz ZBMXPRLNIHRCEF-WDEREUQCSA-N 1 2 296.371 -1.161 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CN(C)C(=O)C2CC2)C1 ZINC001479954941 892491032 /nfs/dbraw/zinc/49/10/32/892491032.db2.gz CEKKOVCBJXGVNX-LLVKDONJSA-N 1 2 296.371 -1.209 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)CN(C)C(=O)C2CC2)C1 ZINC001479954941 892491044 /nfs/dbraw/zinc/49/10/44/892491044.db2.gz CEKKOVCBJXGVNX-LLVKDONJSA-N 1 2 296.371 -1.209 20 0 CAADLO CCCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCNC2=O)C1 ZINC001479961074 892491600 /nfs/dbraw/zinc/49/16/00/892491600.db2.gz ZBMXPRLNIHRCEF-QWRGUYRKSA-N 1 2 296.371 -1.161 20 0 CAADLO CCCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCNC2=O)C1 ZINC001479961074 892491606 /nfs/dbraw/zinc/49/16/06/892491606.db2.gz ZBMXPRLNIHRCEF-QWRGUYRKSA-N 1 2 296.371 -1.161 20 0 CAADLO CC(C)CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CC(N)=O)C1 ZINC001479949304 892492369 /nfs/dbraw/zinc/49/23/69/892492369.db2.gz MOZCVKBCCSVPMV-SNVBAGLBSA-N 1 2 284.360 -1.176 20 0 CAADLO CC(C)CNC(=O)C[N@H+]1CC[C@@H](NC(=O)CC(N)=O)C1 ZINC001479949304 892492380 /nfs/dbraw/zinc/49/23/80/892492380.db2.gz MOZCVKBCCSVPMV-SNVBAGLBSA-N 1 2 284.360 -1.176 20 0 CAADLO CCOCCOCC(=O)N[C@@H]1CC[N@H+](CC(=O)NC)C1 ZINC001479972749 892493843 /nfs/dbraw/zinc/49/38/43/892493843.db2.gz NMDRRMRZPDHZOL-LLVKDONJSA-N 1 2 287.360 -1.024 20 0 CAADLO CCOCCOCC(=O)N[C@@H]1CC[N@@H+](CC(=O)NC)C1 ZINC001479972749 892493855 /nfs/dbraw/zinc/49/38/55/892493855.db2.gz NMDRRMRZPDHZOL-LLVKDONJSA-N 1 2 287.360 -1.024 20 0 CAADLO NC(=O)C1(C(=O)N[C@@H]2CC[N@H+](CC(=O)NC3CC3)C2)CC1 ZINC001479962019 892494363 /nfs/dbraw/zinc/49/43/63/892494363.db2.gz OQWKUEYYNYGLDS-SNVBAGLBSA-N 1 2 294.355 -1.279 20 0 CAADLO NC(=O)C1(C(=O)N[C@@H]2CC[N@@H+](CC(=O)NC3CC3)C2)CC1 ZINC001479962019 892494371 /nfs/dbraw/zinc/49/43/71/892494371.db2.gz OQWKUEYYNYGLDS-SNVBAGLBSA-N 1 2 294.355 -1.279 20 0 CAADLO O=C(NCC1CC1)C(=O)N[C@@H]1CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001479966408 892494501 /nfs/dbraw/zinc/49/45/01/892494501.db2.gz OHHBONWMRHRVLL-MNOVXSKESA-N 1 2 294.355 -1.408 20 0 CAADLO O=C(NCC1CC1)C(=O)N[C@@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001479966408 892494511 /nfs/dbraw/zinc/49/45/11/892494511.db2.gz OHHBONWMRHRVLL-MNOVXSKESA-N 1 2 294.355 -1.408 20 0 CAADLO CCOCC(=O)N[C@H]1C[C@H]([NH2+]Cc2nnn(C)n2)C1 ZINC001480124911 892501868 /nfs/dbraw/zinc/50/18/68/892501868.db2.gz CHBBALSDAMROBV-KYZUINATSA-N 1 2 268.321 -1.017 20 0 CAADLO Cc1nc(CC(=O)NC[C@@H]2CCC[N@H+](CC(N)=O)C2)n[nH]1 ZINC001480252544 892508090 /nfs/dbraw/zinc/50/80/90/892508090.db2.gz MYVOGEQCDBYGDA-JTQLQIEISA-N 1 2 294.359 -1.031 20 0 CAADLO Cc1nc(CC(=O)NC[C@@H]2CCC[N@@H+](CC(N)=O)C2)n[nH]1 ZINC001480252544 892508102 /nfs/dbraw/zinc/50/81/02/892508102.db2.gz MYVOGEQCDBYGDA-JTQLQIEISA-N 1 2 294.359 -1.031 20 0 CAADLO COCCC(=O)NC[C@@H](C)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001480413594 892510525 /nfs/dbraw/zinc/51/05/25/892510525.db2.gz MZKWOSLTWQEYHQ-MRVPVSSYSA-N 1 2 271.321 -1.261 20 0 CAADLO NC(=O)C[N@@H+]1CCCC[C@H]1CNC(=O)C1(C(N)=O)CC1 ZINC001480324313 892511544 /nfs/dbraw/zinc/51/15/44/892511544.db2.gz OBKUHXWITXMWLQ-VIFPVBQESA-N 1 2 282.344 -1.292 20 0 CAADLO NC(=O)C[N@H+]1CCCC[C@H]1CNC(=O)C1(C(N)=O)CC1 ZINC001480324313 892511549 /nfs/dbraw/zinc/51/15/49/892511549.db2.gz OBKUHXWITXMWLQ-VIFPVBQESA-N 1 2 282.344 -1.292 20 0 CAADLO NC(=O)C[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)NCC1CC1 ZINC001480333770 892511869 /nfs/dbraw/zinc/51/18/69/892511869.db2.gz ZAVIEERGBZBIQW-NSHDSACASA-N 1 2 296.371 -1.031 20 0 CAADLO NC(=O)C[N@H+]1CCCC[C@H]1CNC(=O)C(=O)NCC1CC1 ZINC001480333770 892511872 /nfs/dbraw/zinc/51/18/72/892511872.db2.gz ZAVIEERGBZBIQW-NSHDSACASA-N 1 2 296.371 -1.031 20 0 CAADLO NC(=O)C[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)NCC1CC1 ZINC001480333769 892512405 /nfs/dbraw/zinc/51/24/05/892512405.db2.gz ZAVIEERGBZBIQW-LLVKDONJSA-N 1 2 296.371 -1.031 20 0 CAADLO NC(=O)C[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)NCC1CC1 ZINC001480333769 892512424 /nfs/dbraw/zinc/51/24/24/892512424.db2.gz ZAVIEERGBZBIQW-LLVKDONJSA-N 1 2 296.371 -1.031 20 0 CAADLO C[C@@H](CNC(=O)c1cnn(C)c1)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001480422173 892513803 /nfs/dbraw/zinc/51/38/03/892513803.db2.gz PUJSJNMUUMFPMB-QMMMGPOBSA-N 1 2 293.331 -1.250 20 0 CAADLO COCc1noc(C[NH2+][C@H](C)CNC(=O)CC(N)=O)n1 ZINC001480439338 892518978 /nfs/dbraw/zinc/51/89/78/892518978.db2.gz NWNAWHOAKWRTBD-SSDOTTSWSA-N 1 2 285.304 -1.314 20 0 CAADLO C[C@H](CNC(=O)Cc1c[nH]cn1)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001480541554 892531573 /nfs/dbraw/zinc/53/15/73/892531573.db2.gz BFCFOJLNHJWSAN-MRVPVSSYSA-N 1 2 293.331 -1.332 20 0 CAADLO C[C@@H](CNC(=O)C(=O)NCC1CC1)[NH2+]Cc1nnnn1C ZINC001480561670 892533115 /nfs/dbraw/zinc/53/31/15/892533115.db2.gz LRXVYSBHOOYCOX-QMMMGPOBSA-N 1 2 295.347 -1.669 20 0 CAADLO CCCNC(=O)C[N@H+](C)CCNC(=O)CNC(C)=O ZINC001480836790 892546234 /nfs/dbraw/zinc/54/62/34/892546234.db2.gz ADNCDEZEBAGWAQ-UHFFFAOYSA-N 1 2 272.349 -1.303 20 0 CAADLO CCCNC(=O)C[N@@H+](C)CCNC(=O)CNC(C)=O ZINC001480836790 892546243 /nfs/dbraw/zinc/54/62/43/892546243.db2.gz ADNCDEZEBAGWAQ-UHFFFAOYSA-N 1 2 272.349 -1.303 20 0 CAADLO CCNC(=O)CC(=O)NCC[N@H+](C)CC(=O)N1CCC1 ZINC001480856466 892547879 /nfs/dbraw/zinc/54/78/79/892547879.db2.gz CXDCVYYAZQLOBB-UHFFFAOYSA-N 1 2 284.360 -1.207 20 0 CAADLO CCNC(=O)CC(=O)NCC[N@@H+](C)CC(=O)N1CCC1 ZINC001480856466 892547895 /nfs/dbraw/zinc/54/78/95/892547895.db2.gz CXDCVYYAZQLOBB-UHFFFAOYSA-N 1 2 284.360 -1.207 20 0 CAADLO C[N@@H+](CCCS(C)(=O)=O)CCNC(=O)CC(N)=O ZINC001480851276 892548505 /nfs/dbraw/zinc/54/85/05/892548505.db2.gz XVSUTFMMYUEARX-UHFFFAOYSA-N 1 2 279.362 -1.656 20 0 CAADLO C[N@H+](CCCS(C)(=O)=O)CCNC(=O)CC(N)=O ZINC001480851276 892548503 /nfs/dbraw/zinc/54/85/03/892548503.db2.gz XVSUTFMMYUEARX-UHFFFAOYSA-N 1 2 279.362 -1.656 20 0 CAADLO C[N@H+](CCNC(=O)c1ncccc1O)CC(=O)NC(N)=O ZINC001480856527 892548731 /nfs/dbraw/zinc/54/87/31/892548731.db2.gz FYYSUJQVKFDVHT-UHFFFAOYSA-N 1 2 295.299 -1.356 20 0 CAADLO C[N@@H+](CCNC(=O)c1ncccc1O)CC(=O)NC(N)=O ZINC001480856527 892548733 /nfs/dbraw/zinc/54/87/33/892548733.db2.gz FYYSUJQVKFDVHT-UHFFFAOYSA-N 1 2 295.299 -1.356 20 0 CAADLO CCN(C)C(=O)C[N@H+](C)CCNC(=O)[C@H](C)NC(N)=O ZINC001480858500 892548794 /nfs/dbraw/zinc/54/87/94/892548794.db2.gz LBTQSBFZICFUMH-VIFPVBQESA-N 1 2 287.364 -1.431 20 0 CAADLO CCN(C)C(=O)C[N@@H+](C)CCNC(=O)[C@H](C)NC(N)=O ZINC001480858500 892548799 /nfs/dbraw/zinc/54/87/99/892548799.db2.gz LBTQSBFZICFUMH-VIFPVBQESA-N 1 2 287.364 -1.431 20 0 CAADLO CCNC(=O)C[N@H+](C)CCNC(=O)CNC(=O)CC ZINC001480849956 892549645 /nfs/dbraw/zinc/54/96/45/892549645.db2.gz DSIYEUPLZUWKKG-UHFFFAOYSA-N 1 2 272.349 -1.303 20 0 CAADLO CCNC(=O)C[N@@H+](C)CCNC(=O)CNC(=O)CC ZINC001480849956 892549652 /nfs/dbraw/zinc/54/96/52/892549652.db2.gz DSIYEUPLZUWKKG-UHFFFAOYSA-N 1 2 272.349 -1.303 20 0 CAADLO CNC(=O)C[N@H+](C)CCNC(=O)C1CN(C(C)=O)C1 ZINC001480859011 892550360 /nfs/dbraw/zinc/55/03/60/892550360.db2.gz ZYQODQULUAXHGF-UHFFFAOYSA-N 1 2 270.333 -1.741 20 0 CAADLO CNC(=O)C[N@@H+](C)CCNC(=O)C1CN(C(C)=O)C1 ZINC001480859011 892550364 /nfs/dbraw/zinc/55/03/64/892550364.db2.gz ZYQODQULUAXHGF-UHFFFAOYSA-N 1 2 270.333 -1.741 20 0 CAADLO C[N@H+](CCNC(=O)c1cn2c(n1)CCC2)CC(N)=O ZINC001480865287 892554667 /nfs/dbraw/zinc/55/46/67/892554667.db2.gz GVXFJESDINOUKU-UHFFFAOYSA-N 1 2 265.317 -1.024 20 0 CAADLO C[N@@H+](CCNC(=O)c1cn2c(n1)CCC2)CC(N)=O ZINC001480865287 892554684 /nfs/dbraw/zinc/55/46/84/892554684.db2.gz GVXFJESDINOUKU-UHFFFAOYSA-N 1 2 265.317 -1.024 20 0 CAADLO C[N@H+](CCNC(=O)[C@@H]1CCC(=O)NC1)CC(=O)N1CCC1 ZINC001480884204 892554724 /nfs/dbraw/zinc/55/47/24/892554724.db2.gz QWTXHTLTGBKWIN-LLVKDONJSA-N 1 2 296.371 -1.207 20 0 CAADLO C[N@@H+](CCNC(=O)[C@@H]1CCC(=O)NC1)CC(=O)N1CCC1 ZINC001480884204 892554744 /nfs/dbraw/zinc/55/47/44/892554744.db2.gz QWTXHTLTGBKWIN-LLVKDONJSA-N 1 2 296.371 -1.207 20 0 CAADLO CNC(=O)NCC(=O)NCC[N@H+](C)CC(=O)N1CCC1 ZINC001480871175 892554781 /nfs/dbraw/zinc/55/47/81/892554781.db2.gz IZWGNYOPKSLEBN-UHFFFAOYSA-N 1 2 285.348 -1.804 20 0 CAADLO CNC(=O)NCC(=O)NCC[N@@H+](C)CC(=O)N1CCC1 ZINC001480871175 892554797 /nfs/dbraw/zinc/55/47/97/892554797.db2.gz IZWGNYOPKSLEBN-UHFFFAOYSA-N 1 2 285.348 -1.804 20 0 CAADLO CNC(=O)C[N@H+](C)CCNC(=O)[C@@H]1CCC(=O)N1 ZINC001480937881 892562852 /nfs/dbraw/zinc/56/28/52/892562852.db2.gz MBLQVIRYOMIODM-QMMMGPOBSA-N 1 2 256.306 -1.941 20 0 CAADLO CNC(=O)C[N@@H+](C)CCNC(=O)[C@@H]1CCC(=O)N1 ZINC001480937881 892562857 /nfs/dbraw/zinc/56/28/57/892562857.db2.gz MBLQVIRYOMIODM-QMMMGPOBSA-N 1 2 256.306 -1.941 20 0 CAADLO Cn1cncc1C[N@@H+](C)CCNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001480899305 892557799 /nfs/dbraw/zinc/55/77/99/892557799.db2.gz LJVZCMCFVSDJCR-NSHDSACASA-N 1 2 294.359 -1.008 20 0 CAADLO Cn1cncc1C[N@H+](C)CCNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001480899305 892557805 /nfs/dbraw/zinc/55/78/05/892557805.db2.gz LJVZCMCFVSDJCR-NSHDSACASA-N 1 2 294.359 -1.008 20 0 CAADLO C[N@H+](CCNC(=O)[C@@]1(C)CCNC1=O)CC(=O)N1CCC1 ZINC001480911162 892558041 /nfs/dbraw/zinc/55/80/41/892558041.db2.gz ARGLNGDDLZWAFC-AWEZNQCLSA-N 1 2 296.371 -1.207 20 0 CAADLO C[N@@H+](CCNC(=O)[C@@]1(C)CCNC1=O)CC(=O)N1CCC1 ZINC001480911162 892558049 /nfs/dbraw/zinc/55/80/49/892558049.db2.gz ARGLNGDDLZWAFC-AWEZNQCLSA-N 1 2 296.371 -1.207 20 0 CAADLO CN(Cc1ccco1)C(=O)C[N@H+](C)CCNC(=O)C(N)=O ZINC001480911744 892558219 /nfs/dbraw/zinc/55/82/19/892558219.db2.gz DWOIQDGYHMEWBW-UHFFFAOYSA-N 1 2 296.327 -1.229 20 0 CAADLO CN(Cc1ccco1)C(=O)C[N@@H+](C)CCNC(=O)C(N)=O ZINC001480911744 892558225 /nfs/dbraw/zinc/55/82/25/892558225.db2.gz DWOIQDGYHMEWBW-UHFFFAOYSA-N 1 2 296.327 -1.229 20 0 CAADLO CCCNC(=O)C[N@H+](C)CCNC(=O)[C@H]1CNC(=O)N1 ZINC001480906250 892558371 /nfs/dbraw/zinc/55/83/71/892558371.db2.gz OYQWVWCEYYNQAP-SECBINFHSA-N 1 2 285.348 -1.758 20 0 CAADLO CCCNC(=O)C[N@@H+](C)CCNC(=O)[C@H]1CNC(=O)N1 ZINC001480906250 892558374 /nfs/dbraw/zinc/55/83/74/892558374.db2.gz OYQWVWCEYYNQAP-SECBINFHSA-N 1 2 285.348 -1.758 20 0 CAADLO C[N@H+](CCNC(=O)C(N)=O)CC(=O)NC[C@H]1CCCO1 ZINC001480911116 892558588 /nfs/dbraw/zinc/55/85/88/892558588.db2.gz AAFOJBYCDKVNKB-SECBINFHSA-N 1 2 286.332 -2.185 20 0 CAADLO C[N@@H+](CCNC(=O)C(N)=O)CC(=O)NC[C@H]1CCCO1 ZINC001480911116 892558595 /nfs/dbraw/zinc/55/85/95/892558595.db2.gz AAFOJBYCDKVNKB-SECBINFHSA-N 1 2 286.332 -2.185 20 0 CAADLO CNC(=O)C[N@H+](C)CCNC(=O)c1cccc(=O)n1C ZINC001480911003 892558686 /nfs/dbraw/zinc/55/86/86/892558686.db2.gz RJDVNMQGTVTZSL-UHFFFAOYSA-N 1 2 280.328 -1.207 20 0 CAADLO CNC(=O)C[N@@H+](C)CCNC(=O)c1cccc(=O)n1C ZINC001480911003 892558696 /nfs/dbraw/zinc/55/86/96/892558696.db2.gz RJDVNMQGTVTZSL-UHFFFAOYSA-N 1 2 280.328 -1.207 20 0 CAADLO CC(C)N(C)C(=O)C[N@H+](C)CCNC(=O)C(N)=O ZINC001480912468 892558964 /nfs/dbraw/zinc/55/89/64/892558964.db2.gz NOSJYBBSPZMEDW-UHFFFAOYSA-N 1 2 258.322 -1.614 20 0 CAADLO CC(C)N(C)C(=O)C[N@@H+](C)CCNC(=O)C(N)=O ZINC001480912468 892558975 /nfs/dbraw/zinc/55/89/75/892558975.db2.gz NOSJYBBSPZMEDW-UHFFFAOYSA-N 1 2 258.322 -1.614 20 0 CAADLO C[N@H+](CCNC(=O)C(N)=O)CC(=O)NCC1CCC1 ZINC001480911184 892559753 /nfs/dbraw/zinc/55/97/53/892559753.db2.gz AXMSILIIBVSWQA-UHFFFAOYSA-N 1 2 270.333 -1.564 20 0 CAADLO C[N@@H+](CCNC(=O)C(N)=O)CC(=O)NCC1CCC1 ZINC001480911184 892559757 /nfs/dbraw/zinc/55/97/57/892559757.db2.gz AXMSILIIBVSWQA-UHFFFAOYSA-N 1 2 270.333 -1.564 20 0 CAADLO C[N@H+](CCNC(=O)CCn1cnnn1)CC(=O)NC1CC1 ZINC001480927791 892561292 /nfs/dbraw/zinc/56/12/92/892561292.db2.gz MFWXHWUTOWCQOD-UHFFFAOYSA-N 1 2 295.347 -1.610 20 0 CAADLO C[N@@H+](CCNC(=O)CCn1cnnn1)CC(=O)NC1CC1 ZINC001480927791 892561295 /nfs/dbraw/zinc/56/12/95/892561295.db2.gz MFWXHWUTOWCQOD-UHFFFAOYSA-N 1 2 295.347 -1.610 20 0 CAADLO CN1CCCC[C@@H](C(=O)NCC[N@H+](C)CC(N)=O)C1=O ZINC001480935658 892561355 /nfs/dbraw/zinc/56/13/55/892561355.db2.gz IZGORTNAJVXWBK-JTQLQIEISA-N 1 2 284.360 -1.222 20 0 CAADLO CN1CCCC[C@@H](C(=O)NCC[N@@H+](C)CC(N)=O)C1=O ZINC001480935658 892561364 /nfs/dbraw/zinc/56/13/64/892561364.db2.gz IZGORTNAJVXWBK-JTQLQIEISA-N 1 2 284.360 -1.222 20 0 CAADLO CCNC(=O)C[N@H+](C)CCNC(=O)Cc1nc[nH]n1 ZINC001480934515 892562088 /nfs/dbraw/zinc/56/20/88/892562088.db2.gz MAYPLEHEXKHZFA-UHFFFAOYSA-N 1 2 268.321 -1.469 20 0 CAADLO CCNC(=O)C[N@@H+](C)CCNC(=O)Cc1nc[nH]n1 ZINC001480934515 892562098 /nfs/dbraw/zinc/56/20/98/892562098.db2.gz MAYPLEHEXKHZFA-UHFFFAOYSA-N 1 2 268.321 -1.469 20 0 CAADLO CNC(=O)NC(=O)C[N@H+](C)CCNC(=O)Cc1ncc[nH]1 ZINC001480927960 892562789 /nfs/dbraw/zinc/56/27/89/892562789.db2.gz RSBQFSCQLYXRAR-UHFFFAOYSA-N 1 2 296.331 -1.544 20 0 CAADLO CNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)Cc1ncc[nH]1 ZINC001480927960 892562797 /nfs/dbraw/zinc/56/27/97/892562797.db2.gz RSBQFSCQLYXRAR-UHFFFAOYSA-N 1 2 296.331 -1.544 20 0 CAADLO CN(CCNC(=O)Cc1[nH]cc[nH+]1)Cc1nnn(C)n1 ZINC001480927430 892562880 /nfs/dbraw/zinc/56/28/80/892562880.db2.gz JYUFSVKYKZUGHW-UHFFFAOYSA-N 1 2 278.320 -1.276 20 0 CAADLO CNC(=O)C1(C(=O)NCC[N@H+](C)CC(=O)NC2CC2)CC1 ZINC001480923860 892563159 /nfs/dbraw/zinc/56/31/59/892563159.db2.gz GRELTRMDNUTIHD-UHFFFAOYSA-N 1 2 296.371 -1.161 20 0 CAADLO CNC(=O)C1(C(=O)NCC[N@@H+](C)CC(=O)NC2CC2)CC1 ZINC001480923860 892563166 /nfs/dbraw/zinc/56/31/66/892563166.db2.gz GRELTRMDNUTIHD-UHFFFAOYSA-N 1 2 296.371 -1.161 20 0 CAADLO C[N@H+](CCNC(=O)c1ccc2n[nH]c(=O)n2c1)CC(N)=O ZINC001480924120 892563378 /nfs/dbraw/zinc/56/33/78/892563378.db2.gz JTXMZJHWQLGTJQ-UHFFFAOYSA-N 1 2 292.299 -1.418 20 0 CAADLO C[N@@H+](CCNC(=O)c1ccc2n[nH]c(=O)n2c1)CC(N)=O ZINC001480924120 892563384 /nfs/dbraw/zinc/56/33/84/892563384.db2.gz JTXMZJHWQLGTJQ-UHFFFAOYSA-N 1 2 292.299 -1.418 20 0 CAADLO CNC(=O)C[N@H+](C)CCNC(=O)[C@H](C)[C@@H]1CCC(=O)N1 ZINC001480915343 892563969 /nfs/dbraw/zinc/56/39/69/892563969.db2.gz WAAYADIAOXOURF-ZJUUUORDSA-N 1 2 284.360 -1.305 20 0 CAADLO CNC(=O)C[N@@H+](C)CCNC(=O)[C@H](C)[C@@H]1CCC(=O)N1 ZINC001480915343 892563976 /nfs/dbraw/zinc/56/39/76/892563976.db2.gz WAAYADIAOXOURF-ZJUUUORDSA-N 1 2 284.360 -1.305 20 0 CAADLO C[N@H+](CCNC(=O)[C@H](NC(N)=O)C(C)(C)C)CC(N)=O ZINC001480935947 892564391 /nfs/dbraw/zinc/56/43/91/892564391.db2.gz UDASIAQTNPLZMM-VIFPVBQESA-N 1 2 287.364 -1.397 20 0 CAADLO C[N@@H+](CCNC(=O)[C@H](NC(N)=O)C(C)(C)C)CC(N)=O ZINC001480935947 892564399 /nfs/dbraw/zinc/56/43/99/892564399.db2.gz UDASIAQTNPLZMM-VIFPVBQESA-N 1 2 287.364 -1.397 20 0 CAADLO CCNC(=O)C[N@H+](C)CCNC(=O)c1ccc(=O)n(C)n1 ZINC001480943824 892564606 /nfs/dbraw/zinc/56/46/06/892564606.db2.gz IBVBVRQRPXSMKP-UHFFFAOYSA-N 1 2 295.343 -1.422 20 0 CAADLO CCNC(=O)C[N@@H+](C)CCNC(=O)c1ccc(=O)n(C)n1 ZINC001480943824 892564613 /nfs/dbraw/zinc/56/46/13/892564613.db2.gz IBVBVRQRPXSMKP-UHFFFAOYSA-N 1 2 295.343 -1.422 20 0 CAADLO CNC(=O)NC(=O)C[N@H+](C)CCNC(=O)Cc1c[nH]cn1 ZINC001480915635 892565512 /nfs/dbraw/zinc/56/55/12/892565512.db2.gz CDTWFNUGDZQQDM-UHFFFAOYSA-N 1 2 296.331 -1.544 20 0 CAADLO CNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)Cc1c[nH]cn1 ZINC001480915635 892565528 /nfs/dbraw/zinc/56/55/28/892565528.db2.gz CDTWFNUGDZQQDM-UHFFFAOYSA-N 1 2 296.331 -1.544 20 0 CAADLO CC[N@H+](CCNC(=O)c1cnon1)Cc1nc(=O)n(C)[nH]1 ZINC001481007198 892566774 /nfs/dbraw/zinc/56/67/74/892566774.db2.gz PJVBBQWIYLRTJU-UHFFFAOYSA-N 1 2 295.303 -1.257 20 0 CAADLO CC[N@@H+](CCNC(=O)c1cnon1)Cc1nc(=O)n(C)[nH]1 ZINC001481007198 892566782 /nfs/dbraw/zinc/56/67/82/892566782.db2.gz PJVBBQWIYLRTJU-UHFFFAOYSA-N 1 2 295.303 -1.257 20 0 CAADLO CC[N@H+](CCNC(=O)c1cn[nH]n1)CC(=O)NC(=O)NC ZINC001480985940 892567498 /nfs/dbraw/zinc/56/74/98/892567498.db2.gz UIAASRLLGDKXDI-UHFFFAOYSA-N 1 2 297.319 -1.688 20 0 CAADLO CC[N@@H+](CCNC(=O)c1cn[nH]n1)CC(=O)NC(=O)NC ZINC001480985940 892567507 /nfs/dbraw/zinc/56/75/07/892567507.db2.gz UIAASRLLGDKXDI-UHFFFAOYSA-N 1 2 297.319 -1.688 20 0 CAADLO CC[N@H+](CCNC(=O)c1cnn[nH]1)CC(=O)NC(=O)NC ZINC001480985940 892567513 /nfs/dbraw/zinc/56/75/13/892567513.db2.gz UIAASRLLGDKXDI-UHFFFAOYSA-N 1 2 297.319 -1.688 20 0 CAADLO CC[N@@H+](CCNC(=O)c1cnn[nH]1)CC(=O)NC(=O)NC ZINC001480985940 892567525 /nfs/dbraw/zinc/56/75/25/892567525.db2.gz UIAASRLLGDKXDI-UHFFFAOYSA-N 1 2 297.319 -1.688 20 0 CAADLO CCNC(=O)C[N@H+](C)CCNC(=O)[C@@H]1CCCN1C(N)=O ZINC001480953203 892569469 /nfs/dbraw/zinc/56/94/69/892569469.db2.gz IBIAIOSJMFZGNC-JTQLQIEISA-N 1 2 299.375 -1.286 20 0 CAADLO CCNC(=O)C[N@@H+](C)CCNC(=O)[C@@H]1CCCN1C(N)=O ZINC001480953203 892569473 /nfs/dbraw/zinc/56/94/73/892569473.db2.gz IBIAIOSJMFZGNC-JTQLQIEISA-N 1 2 299.375 -1.286 20 0 CAADLO CC[N@H+](CCNC(=O)C(=O)NCC(F)F)CC(N)=O ZINC001480985902 892569895 /nfs/dbraw/zinc/56/98/95/892569895.db2.gz SXBFCZBZSIEKOX-UHFFFAOYSA-N 1 2 280.275 -1.709 20 0 CAADLO CC[N@@H+](CCNC(=O)C(=O)NCC(F)F)CC(N)=O ZINC001480985902 892569904 /nfs/dbraw/zinc/56/99/04/892569904.db2.gz SXBFCZBZSIEKOX-UHFFFAOYSA-N 1 2 280.275 -1.709 20 0 CAADLO CC[N@H+](CCNC(=O)Cc1n[nH]c(C)n1)[C@H]1CCNC1=O ZINC001480974552 892571106 /nfs/dbraw/zinc/57/11/06/892571106.db2.gz NXBQTDGBTZYRPM-JTQLQIEISA-N 1 2 294.359 -1.018 20 0 CAADLO CC[N@@H+](CCNC(=O)Cc1n[nH]c(C)n1)[C@H]1CCNC1=O ZINC001480974552 892571114 /nfs/dbraw/zinc/57/11/14/892571114.db2.gz NXBQTDGBTZYRPM-JTQLQIEISA-N 1 2 294.359 -1.018 20 0 CAADLO Cn1cnnc1C[N@@H+]1CC[C@@H](CNC(=O)CC(N)=O)C1 ZINC001481088608 892572833 /nfs/dbraw/zinc/57/28/33/892572833.db2.gz IJCMZNZETSMJOE-VIFPVBQESA-N 1 2 280.332 -1.371 20 0 CAADLO Cn1cnnc1C[N@H+]1CC[C@@H](CNC(=O)CC(N)=O)C1 ZINC001481088608 892572839 /nfs/dbraw/zinc/57/28/39/892572839.db2.gz IJCMZNZETSMJOE-VIFPVBQESA-N 1 2 280.332 -1.371 20 0 CAADLO Cn1cnnc1C[N@@H+]1CC[C@H](CNC(=O)CC(N)=O)C1 ZINC001481088606 892573482 /nfs/dbraw/zinc/57/34/82/892573482.db2.gz IJCMZNZETSMJOE-SECBINFHSA-N 1 2 280.332 -1.371 20 0 CAADLO Cn1cnnc1C[N@H+]1CC[C@H](CNC(=O)CC(N)=O)C1 ZINC001481088606 892573489 /nfs/dbraw/zinc/57/34/89/892573489.db2.gz IJCMZNZETSMJOE-SECBINFHSA-N 1 2 280.332 -1.371 20 0 CAADLO O=C(Cn1ncnn1)NC[C@H]1CC[N@H+](Cc2cnon2)C1 ZINC001481091943 892574028 /nfs/dbraw/zinc/57/40/28/892574028.db2.gz CFDUPLURAGAGSW-SECBINFHSA-N 1 2 292.303 -1.306 20 0 CAADLO O=C(Cn1ncnn1)NC[C@H]1CC[N@@H+](Cc2cnon2)C1 ZINC001481091943 892574038 /nfs/dbraw/zinc/57/40/38/892574038.db2.gz CFDUPLURAGAGSW-SECBINFHSA-N 1 2 292.303 -1.306 20 0 CAADLO CC(=O)NCC(=O)NC[C@H]1CC[N@@H+](Cc2nnnn2C)C1 ZINC001481076334 892575053 /nfs/dbraw/zinc/57/50/53/892575053.db2.gz ORQDFASRUHWDCS-SNVBAGLBSA-N 1 2 295.347 -1.716 20 0 CAADLO CC(=O)NCC(=O)NC[C@H]1CC[N@H+](Cc2nnnn2C)C1 ZINC001481076334 892575066 /nfs/dbraw/zinc/57/50/66/892575066.db2.gz ORQDFASRUHWDCS-SNVBAGLBSA-N 1 2 295.347 -1.716 20 0 CAADLO CC(=O)NCC(=O)NC[C@H]1CC[N@@H+](Cc2nncn2C)C1 ZINC001481075278 892575313 /nfs/dbraw/zinc/57/53/13/892575313.db2.gz BWEWBSJGJCBCJQ-LLVKDONJSA-N 1 2 294.359 -1.111 20 0 CAADLO CC(=O)NCC(=O)NC[C@H]1CC[N@H+](Cc2nncn2C)C1 ZINC001481075278 892575328 /nfs/dbraw/zinc/57/53/28/892575328.db2.gz BWEWBSJGJCBCJQ-LLVKDONJSA-N 1 2 294.359 -1.111 20 0 CAADLO CCC[N@H+](CCNC(=O)Cc1nnc[nH]1)CC(=O)NC ZINC001481151347 892577897 /nfs/dbraw/zinc/57/78/97/892577897.db2.gz CZIICNKYYSNNEI-UHFFFAOYSA-N 1 2 282.348 -1.079 20 0 CAADLO CCC[N@@H+](CCNC(=O)Cc1nnc[nH]1)CC(=O)NC ZINC001481151347 892577906 /nfs/dbraw/zinc/57/79/06/892577906.db2.gz CZIICNKYYSNNEI-UHFFFAOYSA-N 1 2 282.348 -1.079 20 0 CAADLO CCNC(=O)NC(=O)C[N@H+](CCNC(=O)C(N)=O)C1CC1 ZINC001481183651 892582796 /nfs/dbraw/zinc/58/27/96/892582796.db2.gz RDKMPWGZDVOGIP-UHFFFAOYSA-N 1 2 299.331 -2.102 20 0 CAADLO CCNC(=O)NC(=O)C[N@@H+](CCNC(=O)C(N)=O)C1CC1 ZINC001481183651 892582802 /nfs/dbraw/zinc/58/28/02/892582802.db2.gz RDKMPWGZDVOGIP-UHFFFAOYSA-N 1 2 299.331 -2.102 20 0 CAADLO CCc1nnc(C[NH2+]CCN(C)C(=O)Cn2ncnn2)o1 ZINC001481230581 892587136 /nfs/dbraw/zinc/58/71/36/892587136.db2.gz AMOLOPLBKIHIDJ-UHFFFAOYSA-N 1 2 294.319 -1.133 20 0 CAADLO CN(CC[NH2+]Cc1n[nH]c(=O)[n-]1)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001481217544 892587771 /nfs/dbraw/zinc/58/77/71/892587771.db2.gz OJFBCQKDELHTJW-VIFPVBQESA-N 1 2 298.347 -1.611 20 0 CAADLO CN(CC[NH2+]Cc1n[nH]c(=O)[n-]1)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001481217544 892587776 /nfs/dbraw/zinc/58/77/76/892587776.db2.gz OJFBCQKDELHTJW-VIFPVBQESA-N 1 2 298.347 -1.611 20 0 CAADLO CN(CC[NH2+]Cc1ncccn1)C(=O)[C@@H]1CNC(=O)N1 ZINC001481274260 892592758 /nfs/dbraw/zinc/59/27/58/892592758.db2.gz MYMHNRNBZSPUPH-VIFPVBQESA-N 1 2 278.316 -1.294 20 0 CAADLO CN(CC[NH2+]Cc1nncs1)C(=O)c1nnn(C)n1 ZINC001481268183 892592808 /nfs/dbraw/zinc/59/28/08/892592808.db2.gz DUWXIRSYPCTLKV-UHFFFAOYSA-N 1 2 282.333 -1.077 20 0 CAADLO CN(CC[NH2+]Cc1cnon1)C(=O)C1(C(N)=O)CC1 ZINC001481273587 892595166 /nfs/dbraw/zinc/59/51/66/892595166.db2.gz XTMGAXCXLUYSPR-UHFFFAOYSA-N 1 2 267.289 -1.117 20 0 CAADLO CN(CC[NH2+]Cc1cnon1)C(=O)[C@@H]1CCC(=O)N1 ZINC001481305743 892596814 /nfs/dbraw/zinc/59/68/14/892596814.db2.gz PKTNQMKQNZWAFR-VIFPVBQESA-N 1 2 267.289 -1.104 20 0 CAADLO CN(CC[NH2+]Cc1nc(=O)n(C)[nH]1)C(=O)c1ccn(C)n1 ZINC001481314655 892598630 /nfs/dbraw/zinc/59/86/30/892598630.db2.gz JQDSHJUWCORKAE-UHFFFAOYSA-N 1 2 293.331 -1.296 20 0 CAADLO CN(CC[NH+]1CCN(CCF)CC1)C(=O)Cn1ncnn1 ZINC001481467770 892600694 /nfs/dbraw/zinc/60/06/94/892600694.db2.gz CYRRQJBSUHOJFD-UHFFFAOYSA-N 1 2 299.354 -1.281 20 0 CAADLO O=C(CN1CCCC1=O)NC1C[NH+](CCOCCO)C1 ZINC001481541158 892603714 /nfs/dbraw/zinc/60/37/14/892603714.db2.gz STJDBDSNVZWJHE-UHFFFAOYSA-N 1 2 285.344 -1.582 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(NC(=O)C2=COCCO2)C1 ZINC001481542154 892604594 /nfs/dbraw/zinc/60/45/94/892604594.db2.gz SNSCBCNERLJHNY-JTQLQIEISA-N 1 2 272.301 -1.318 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(NC(=O)[C@H]2CCC(=O)N2)C1 ZINC001481548775 892605588 /nfs/dbraw/zinc/60/55/88/892605588.db2.gz JEQPGSGIHPXGLY-VHSXEESVSA-N 1 2 271.317 -1.927 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(NC(=O)[C@@H]2CCCNC2=O)C1 ZINC001481565229 892606743 /nfs/dbraw/zinc/60/67/43/892606743.db2.gz FCKTWOVVMZKOEY-WDEREUQCSA-N 1 2 285.344 -1.680 20 0 CAADLO CCS(=O)(=O)NCC(=O)NC1C[NH+](CCO)C1 ZINC001481562421 892607001 /nfs/dbraw/zinc/60/70/01/892607001.db2.gz DNIUSFLUDKBMNZ-UHFFFAOYSA-N 1 2 265.335 -2.282 20 0 CAADLO O=C(C[C@H]1COC(=O)C1)NC1C[NH+](CCOCCO)C1 ZINC001481554410 892607345 /nfs/dbraw/zinc/60/73/45/892607345.db2.gz RFSWLQHACNIJBG-SNVBAGLBSA-N 1 2 286.328 -1.251 20 0 CAADLO O=C(C[C@@H]1COC(=O)C1)NC1C[NH+](CCOCCO)C1 ZINC001481554405 892607464 /nfs/dbraw/zinc/60/74/64/892607464.db2.gz RFSWLQHACNIJBG-JTQLQIEISA-N 1 2 286.328 -1.251 20 0 CAADLO COC[C@H](O)C[NH+]1CC(NC(=O)[C@H](O)C(C)C)C1 ZINC001481556487 892608208 /nfs/dbraw/zinc/60/82/08/892608208.db2.gz PSHDSGDNMKUSMC-GHMZBOCLSA-N 1 2 260.334 -1.189 20 0 CAADLO COC[C@H](O)C[NH+]1CC(NC(=O)c2cn(C)nn2)C1 ZINC001481556660 892608399 /nfs/dbraw/zinc/60/83/99/892608399.db2.gz RSQPEVKWVQDULD-SECBINFHSA-N 1 2 269.305 -1.764 20 0 CAADLO Cn1cc[nH+]c1CCC(=O)NC1CN(CC(N)=O)C1 ZINC001481572354 892609586 /nfs/dbraw/zinc/60/95/86/892609586.db2.gz ZEESSMRSWZNGGE-UHFFFAOYSA-N 1 2 265.317 -1.362 20 0 CAADLO NC(=O)[C@@H]1CC[C@@H]1C(=O)NC1C[NH+](CCOCCO)C1 ZINC001481573587 892609682 /nfs/dbraw/zinc/60/96/82/892609682.db2.gz DCONZPBOSVQZIW-MNOVXSKESA-N 1 2 285.344 -1.693 20 0 CAADLO CC(C)NC(=O)CN(C)CC(=O)NC1C[NH+](CCO)C1 ZINC001481569797 892609928 /nfs/dbraw/zinc/60/99/28/892609928.db2.gz QDFZHLFFHCCNHM-UHFFFAOYSA-N 1 2 286.376 -1.765 20 0 CAADLO COCCOCC[NH+]1CC(NC(=O)[C@@H]2CCN(C)C2=O)C1 ZINC001481576332 892610264 /nfs/dbraw/zinc/61/02/64/892610264.db2.gz AUEMDGQUFGSKMX-LBPRGKRZSA-N 1 2 299.371 -1.072 20 0 CAADLO COCCC[NH+]1CC(NC(=O)c2nnn(C)n2)C1 ZINC001481577111 892610626 /nfs/dbraw/zinc/61/06/26/892610626.db2.gz LAFPTRZYWBOERG-UHFFFAOYSA-N 1 2 254.294 -1.339 20 0 CAADLO COC[C@H](O)C[NH+]1CC(NC(=O)[C@@]2(C)CCC(=O)NC2)C1 ZINC001481578799 892611369 /nfs/dbraw/zinc/61/13/69/892611369.db2.gz KPFFVOVYXGFVJG-RISCZKNCSA-N 1 2 299.371 -1.290 20 0 CAADLO COC[C@H](O)C[NH+]1CC(NC(=O)c2c[nH]c(=O)n2C)C1 ZINC001481574525 892611390 /nfs/dbraw/zinc/61/13/90/892611390.db2.gz URYDVLRKDJJJCT-SECBINFHSA-N 1 2 284.316 -1.453 20 0 CAADLO COCC(=O)NCC1C[NH+](CC(=O)NC[C@@H]2CCOC2)C1 ZINC001481609247 892612759 /nfs/dbraw/zinc/61/27/59/892612759.db2.gz WRDDADUZFLPOLM-NSHDSACASA-N 1 2 299.371 -1.167 20 0 CAADLO CN(C)C(=O)C[NH+]1CC(CNC(=O)CO[C@@H]2CCOC2)C1 ZINC001481624789 892612795 /nfs/dbraw/zinc/61/27/95/892612795.db2.gz IJSYRCNDTXMEML-GFCCVEGCSA-N 1 2 299.371 -1.072 20 0 CAADLO CC(=O)N[C@H](C)C(=O)NCC1C[NH+](CC(=O)N2CCC2)C1 ZINC001481610551 892613082 /nfs/dbraw/zinc/61/30/82/892613082.db2.gz NVAMOSKRXISJJG-SNVBAGLBSA-N 1 2 296.371 -1.209 20 0 CAADLO CO[C@H](C)C(=O)NCC1C[NH+](CCNS(C)(=O)=O)C1 ZINC001481615718 892613152 /nfs/dbraw/zinc/61/31/52/892613152.db2.gz FLUKJEJWPBIKDV-SECBINFHSA-N 1 2 293.389 -1.382 20 0 CAADLO NC(=O)C[NH+]1CC(CNC(=O)CNC(=O)N2CCCC2)C1 ZINC001481624896 892613657 /nfs/dbraw/zinc/61/36/57/892613657.db2.gz LUTOTTHRQNFSSH-UHFFFAOYSA-N 1 2 297.359 -1.675 20 0 CAADLO CC(=O)N[C@H](C)C(=O)NCC1C[NH+]([C@@H]2CCNC2=O)C1 ZINC001481610247 892614079 /nfs/dbraw/zinc/61/40/79/892614079.db2.gz GXRKVLWCIVXICO-LDYMZIIASA-N 1 2 282.344 -1.553 20 0 CAADLO NC(=O)NC(=O)C[NH+]1CC(CNC(=O)c2cncs2)C1 ZINC001481616969 892614148 /nfs/dbraw/zinc/61/41/48/892614148.db2.gz SUCGDOCBJFTSGI-UHFFFAOYSA-N 1 2 297.340 -1.000 20 0 CAADLO CNC(=O)[C@H](C)[NH+]1CC(CNC(=O)CCc2nnc[nH]2)C1 ZINC001481619770 892614247 /nfs/dbraw/zinc/61/42/47/892614247.db2.gz UQSGDBRLYJSITM-VIFPVBQESA-N 1 2 294.359 -1.080 20 0 CAADLO C[C@H](C(N)=O)[NH+]1CC(CNC(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001481630445 892614407 /nfs/dbraw/zinc/61/44/07/892614407.db2.gz JGPOQLAUJPERMJ-SVRRBLITSA-N 1 2 297.315 -2.494 20 0 CAADLO CNC(=O)C[NH+]1CC(CNC(=O)C[C@H]2CCC(=O)NC2)C1 ZINC001481628672 892614727 /nfs/dbraw/zinc/61/47/27/892614727.db2.gz MIXOHYPNMXEZEY-SNVBAGLBSA-N 1 2 296.371 -1.303 20 0 CAADLO CNC(=O)NC(=O)[C@H](C)[NH+]1CC(CNC(C)=O)C1 ZINC001481608948 892614918 /nfs/dbraw/zinc/61/49/18/892614918.db2.gz NUTUPPCBHRZNSQ-ZETCQYMHSA-N 1 2 256.306 -1.102 20 0 CAADLO CC[C@@H](C)NC(=O)C[NH+]1CC(CNC(=O)C(N)=O)C1 ZINC001481642779 892616058 /nfs/dbraw/zinc/61/60/58/892616058.db2.gz MAVCYNKXEGVKCJ-MRVPVSSYSA-N 1 2 270.333 -1.566 20 0 CAADLO NC(=O)C[NH+]1CC(CNC(=O)Cc2cnoc2)C1 ZINC001481640375 892616663 /nfs/dbraw/zinc/61/66/63/892616663.db2.gz SBLFUZMUTCRPMC-UHFFFAOYSA-N 1 2 252.274 -1.250 20 0 CAADLO C[C@H](C(N)=O)[NH+]1CC(CNC(=O)C[C@@H]2CCN(C)C2=O)C1 ZINC001481632507 892617382 /nfs/dbraw/zinc/61/73/82/892617382.db2.gz HHKFYDKUEVVUIA-KOLCDFICSA-N 1 2 296.371 -1.223 20 0 CAADLO CN(CC1CC1)C(=O)C[NH+]1CC(CNC(=O)C(N)=O)C1 ZINC001481643354 892617460 /nfs/dbraw/zinc/61/74/60/892617460.db2.gz UAEXRVASBICLLV-UHFFFAOYSA-N 1 2 282.344 -1.612 20 0 CAADLO NC(=O)C(=O)NCC1C[NH+](C[C@H]2CCS(=O)(=O)C2)C1 ZINC001481642946 892617602 /nfs/dbraw/zinc/61/76/02/892617602.db2.gz OJMOPJBBGYSAPW-MRVPVSSYSA-N 1 2 289.357 -2.046 20 0 CAADLO NC(=O)C(=O)NCC1C[NH+](C[C@@H]2CCS(=O)(=O)C2)C1 ZINC001481642947 892617627 /nfs/dbraw/zinc/61/76/27/892617627.db2.gz OJMOPJBBGYSAPW-QMMMGPOBSA-N 1 2 289.357 -2.046 20 0 CAADLO C[C@@H](C(N)=O)[NH+]1CC(CNC(=O)CCCCC(N)=O)C1 ZINC001481653823 892618132 /nfs/dbraw/zinc/61/81/32/892618132.db2.gz YOEQGBJIBHEGOR-VIFPVBQESA-N 1 2 284.360 -1.046 20 0 CAADLO CCC[C@@H](NC(N)=O)C(=O)NCC1C[NH+]([C@H](C)C(N)=O)C1 ZINC001481656012 892618263 /nfs/dbraw/zinc/61/82/63/892618263.db2.gz MMDGYHLPOOWLAI-PSASIEDQSA-N 1 2 299.375 -1.255 20 0 CAADLO C[C@@H](C(N)=O)[NH+]1CC(CNC(=O)C[C@@H]2CCN(C)C2=O)C1 ZINC001481632510 892618311 /nfs/dbraw/zinc/61/83/11/892618311.db2.gz HHKFYDKUEVVUIA-ONGXEEELSA-N 1 2 296.371 -1.223 20 0 CAADLO CNC(=O)C1(C(=O)NCC2C[NH+]([C@@H](C)C(N)=O)C2)CC1 ZINC001481650598 892618394 /nfs/dbraw/zinc/61/83/94/892618394.db2.gz JWAAPKZFDJAVPJ-QMMMGPOBSA-N 1 2 282.344 -1.566 20 0 CAADLO O=C(Cc1nc[nH]n1)NCC1C[NH+]([C@@H]2CCNC2=O)C1 ZINC001481655073 892618531 /nfs/dbraw/zinc/61/85/31/892618531.db2.gz WYCQEUZABSYVJW-SECBINFHSA-N 1 2 278.316 -1.716 20 0 CAADLO Cc1nnsc1C[NH+]1CC(CNC(=O)C(N)=O)C1 ZINC001481643054 892618548 /nfs/dbraw/zinc/61/85/48/892618548.db2.gz QANIRVFVEIOKRR-UHFFFAOYSA-N 1 2 269.330 -1.120 20 0 CAADLO CCNC(=O)C[NH+]1CC(CNC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001481655966 892618631 /nfs/dbraw/zinc/61/86/31/892618631.db2.gz JMNJIICQCJHIQG-JTQLQIEISA-N 1 2 282.344 -1.551 20 0 CAADLO CC(C)C[C@@H](C(N)=O)C(=O)NCC1C[NH+](CC(N)=O)C1 ZINC001481662870 892619614 /nfs/dbraw/zinc/61/96/14/892619614.db2.gz MWGLKIBKNCJQBB-JTQLQIEISA-N 1 2 284.360 -1.333 20 0 CAADLO CC(C)(C)[C@H](NC(N)=O)C(=O)N[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001481695218 892619636 /nfs/dbraw/zinc/61/96/36/892619636.db2.gz ICDVJNKEGCLZIK-WCBMZHEXSA-N 1 2 299.375 -1.255 20 0 CAADLO CC(C)(C)[C@H](NC(N)=O)C(=O)N[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001481695218 892619642 /nfs/dbraw/zinc/61/96/42/892619642.db2.gz ICDVJNKEGCLZIK-WCBMZHEXSA-N 1 2 299.375 -1.255 20 0 CAADLO CO[C@H](C)C(=O)N[C@@H]1CC[N@H+]([C@H](C)C(=O)NC(N)=O)C1 ZINC001481698992 892620778 /nfs/dbraw/zinc/62/07/78/892620778.db2.gz ZOMOBYSMAQHTTR-IWSPIJDZSA-N 1 2 286.332 -1.205 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)CNC(C)=O)C1 ZINC001481683757 892620617 /nfs/dbraw/zinc/62/06/17/892620617.db2.gz TWHYLLLFHVCBBL-VIFPVBQESA-N 1 2 256.306 -1.941 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)CNC(C)=O)C1 ZINC001481683757 892620620 /nfs/dbraw/zinc/62/06/20/892620620.db2.gz TWHYLLLFHVCBBL-VIFPVBQESA-N 1 2 256.306 -1.941 20 0 CAADLO CO[C@H](C)C(=O)N[C@@H]1CC[N@@H+]([C@H](C)C(=O)NC(N)=O)C1 ZINC001481698992 892620775 /nfs/dbraw/zinc/62/07/75/892620775.db2.gz ZOMOBYSMAQHTTR-IWSPIJDZSA-N 1 2 286.332 -1.205 20 0 CAADLO CO[C@@H](C)C(=O)N[C@@H]1CC[N@@H+]([C@@H](C)C(=O)NC(N)=O)C1 ZINC001481698993 892620927 /nfs/dbraw/zinc/62/09/27/892620927.db2.gz ZOMOBYSMAQHTTR-XHNCKOQMSA-N 1 2 286.332 -1.205 20 0 CAADLO CO[C@@H](C)C(=O)N[C@@H]1CC[N@H+]([C@@H](C)C(=O)NC(N)=O)C1 ZINC001481698993 892620930 /nfs/dbraw/zinc/62/09/30/892620930.db2.gz ZOMOBYSMAQHTTR-XHNCKOQMSA-N 1 2 286.332 -1.205 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H](O)C(C)C)C1 ZINC001481688115 892621000 /nfs/dbraw/zinc/62/10/00/892621000.db2.gz KTPNAIGMUBBWLW-GXSJLCMTSA-N 1 2 257.334 -1.060 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@H](O)C(C)C)C1 ZINC001481688115 892621008 /nfs/dbraw/zinc/62/10/08/892621008.db2.gz KTPNAIGMUBBWLW-GXSJLCMTSA-N 1 2 257.334 -1.060 20 0 CAADLO CNS(=O)(=O)CC(=O)N[C@H]1CC[N@H+](CCF)C1 ZINC001481696244 892621023 /nfs/dbraw/zinc/62/10/23/892621023.db2.gz QBSIGRLTZBPARG-QMMMGPOBSA-N 1 2 267.326 -1.304 20 0 CAADLO CNS(=O)(=O)CC(=O)N[C@H]1CC[N@@H+](CCF)C1 ZINC001481696244 892621031 /nfs/dbraw/zinc/62/10/31/892621031.db2.gz QBSIGRLTZBPARG-QMMMGPOBSA-N 1 2 267.326 -1.304 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)COCCOC)C1 ZINC001481699608 892621360 /nfs/dbraw/zinc/62/13/60/892621360.db2.gz HKPHZYUEEAISLX-SNVBAGLBSA-N 1 2 273.333 -1.414 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)COCCOC)C1 ZINC001481699608 892621368 /nfs/dbraw/zinc/62/13/68/892621368.db2.gz HKPHZYUEEAISLX-SNVBAGLBSA-N 1 2 273.333 -1.414 20 0 CAADLO CCC[C@@H](NC(N)=O)C(=O)N[C@@H]1CC[N@@H+]([C@H](C)C(N)=O)C1 ZINC001481709025 892623206 /nfs/dbraw/zinc/62/32/06/892623206.db2.gz UQBJMXWOFQYMRZ-OPRDCNLKSA-N 1 2 299.375 -1.112 20 0 CAADLO CCC[C@@H](NC(N)=O)C(=O)N[C@@H]1CC[N@H+]([C@H](C)C(N)=O)C1 ZINC001481709025 892623210 /nfs/dbraw/zinc/62/32/10/892623210.db2.gz UQBJMXWOFQYMRZ-OPRDCNLKSA-N 1 2 299.375 -1.112 20 0 CAADLO CC(C)N(C)C(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)C(N)=O)C1 ZINC001481738806 892623286 /nfs/dbraw/zinc/62/32/86/892623286.db2.gz PTIAXBLOFCOWJI-SNVBAGLBSA-N 1 2 284.360 -1.129 20 0 CAADLO CC(C)N(C)C(=O)C[N@H+]1CC[C@@H](N(C)C(=O)C(N)=O)C1 ZINC001481738806 892623290 /nfs/dbraw/zinc/62/32/90/892623290.db2.gz PTIAXBLOFCOWJI-SNVBAGLBSA-N 1 2 284.360 -1.129 20 0 CAADLO CC(=O)NC(C)(C)C(=O)N(C)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001481743694 892623336 /nfs/dbraw/zinc/62/33/36/892623336.db2.gz PQPLAHDQPCONIB-SNVBAGLBSA-N 1 2 284.360 -1.081 20 0 CAADLO CC(=O)NC(C)(C)C(=O)N(C)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001481743694 892623341 /nfs/dbraw/zinc/62/33/41/892623341.db2.gz PQPLAHDQPCONIB-SNVBAGLBSA-N 1 2 284.360 -1.081 20 0 CAADLO CCN(C(=O)C(N)=O)[C@@H]1CC[N@@H+]([C@@H](C)C(=O)NC)C1 ZINC001481775582 892623444 /nfs/dbraw/zinc/62/34/44/892623444.db2.gz WYUVGXIWTUCLCW-DTWKUNHWSA-N 1 2 270.333 -1.471 20 0 CAADLO CCN(C(=O)C(N)=O)[C@@H]1CC[N@H+]([C@@H](C)C(=O)NC)C1 ZINC001481775582 892623447 /nfs/dbraw/zinc/62/34/47/892623447.db2.gz WYUVGXIWTUCLCW-DTWKUNHWSA-N 1 2 270.333 -1.471 20 0 CAADLO CC(C)CNC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)C(N)=O)C1 ZINC001481739362 892623652 /nfs/dbraw/zinc/62/36/52/892623652.db2.gz WKVHRHFPXRAGDP-JTQLQIEISA-N 1 2 284.360 -1.223 20 0 CAADLO CC(C)CNC(=O)C[N@H+]1CC[C@H](N(C)C(=O)C(N)=O)C1 ZINC001481739362 892623655 /nfs/dbraw/zinc/62/36/55/892623655.db2.gz WKVHRHFPXRAGDP-JTQLQIEISA-N 1 2 284.360 -1.223 20 0 CAADLO CCN(C(=O)[C@H](C)CC(N)=O)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001481771473 892624057 /nfs/dbraw/zinc/62/40/57/892624057.db2.gz NJYSVTHSCJOSBD-ZJUUUORDSA-N 1 2 284.360 -1.094 20 0 CAADLO CCN(C(=O)[C@H](C)CC(N)=O)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001481771473 892624068 /nfs/dbraw/zinc/62/40/68/892624068.db2.gz NJYSVTHSCJOSBD-ZJUUUORDSA-N 1 2 284.360 -1.094 20 0 CAADLO CCC[C@@H](NC(N)=O)C(=O)N[C@@H]1CC[N@@H+]([C@@H](C)C(N)=O)C1 ZINC001481709024 892624091 /nfs/dbraw/zinc/62/40/91/892624091.db2.gz UQBJMXWOFQYMRZ-IVZWLZJFSA-N 1 2 299.375 -1.112 20 0 CAADLO CCC[C@@H](NC(N)=O)C(=O)N[C@@H]1CC[N@H+]([C@@H](C)C(N)=O)C1 ZINC001481709024 892624103 /nfs/dbraw/zinc/62/41/03/892624103.db2.gz UQBJMXWOFQYMRZ-IVZWLZJFSA-N 1 2 299.375 -1.112 20 0 CAADLO C[C@@H](O)C[N@@H+]1CC[C@H](N(C)C(=O)CS(C)(=O)=O)C1 ZINC001481715921 892625160 /nfs/dbraw/zinc/62/51/60/892625160.db2.gz BYHFLOGLZAADJO-ZJUUUORDSA-N 1 2 278.374 -1.056 20 0 CAADLO C[C@@H](O)C[N@H+]1CC[C@H](N(C)C(=O)CS(C)(=O)=O)C1 ZINC001481715921 892625169 /nfs/dbraw/zinc/62/51/69/892625169.db2.gz BYHFLOGLZAADJO-ZJUUUORDSA-N 1 2 278.374 -1.056 20 0 CAADLO CCN(C(=O)COC)[C@H]1CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001481757069 892625185 /nfs/dbraw/zinc/62/51/85/892625185.db2.gz UZMHRQIXCYCJRS-VIFPVBQESA-N 1 2 286.332 -1.250 20 0 CAADLO CCN(C(=O)COC)[C@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001481757069 892625190 /nfs/dbraw/zinc/62/51/90/892625190.db2.gz UZMHRQIXCYCJRS-VIFPVBQESA-N 1 2 286.332 -1.250 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NCC2CC2)C1 ZINC001481743559 892625405 /nfs/dbraw/zinc/62/54/05/892625405.db2.gz OIEHGTFKRBRVOA-ONGXEEELSA-N 1 2 296.371 -1.081 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CC[C@H](N(C)C(=O)C(=O)NCC2CC2)C1 ZINC001481743559 892625410 /nfs/dbraw/zinc/62/54/10/892625410.db2.gz OIEHGTFKRBRVOA-ONGXEEELSA-N 1 2 296.371 -1.081 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)NCC2CC2)C1 ZINC001481743552 892625443 /nfs/dbraw/zinc/62/54/43/892625443.db2.gz OIEHGTFKRBRVOA-GXSJLCMTSA-N 1 2 296.371 -1.081 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CC[C@@H](N(C)C(=O)C(=O)NCC2CC2)C1 ZINC001481743552 892625449 /nfs/dbraw/zinc/62/54/49/892625449.db2.gz OIEHGTFKRBRVOA-GXSJLCMTSA-N 1 2 296.371 -1.081 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NCC2CC2)C1 ZINC001481743555 892625636 /nfs/dbraw/zinc/62/56/36/892625636.db2.gz OIEHGTFKRBRVOA-KOLCDFICSA-N 1 2 296.371 -1.081 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CC[C@H](N(C)C(=O)C(=O)NCC2CC2)C1 ZINC001481743555 892625641 /nfs/dbraw/zinc/62/56/41/892625641.db2.gz OIEHGTFKRBRVOA-KOLCDFICSA-N 1 2 296.371 -1.081 20 0 CAADLO CN(CC1CC1)C(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)C(N)=O)C1 ZINC001481738498 892625815 /nfs/dbraw/zinc/62/58/15/892625815.db2.gz MROXVSKFDKEIKX-LLVKDONJSA-N 1 2 296.371 -1.127 20 0 CAADLO CN(CC1CC1)C(=O)C[N@H+]1CC[C@@H](N(C)C(=O)C(N)=O)C1 ZINC001481738498 892625821 /nfs/dbraw/zinc/62/58/21/892625821.db2.gz MROXVSKFDKEIKX-LLVKDONJSA-N 1 2 296.371 -1.127 20 0 CAADLO CC[C@@H](CNC(=O)c1ncn(C)n1)[NH2+]Cc1nnn(C)n1 ZINC001481807599 892627368 /nfs/dbraw/zinc/62/73/68/892627368.db2.gz LRNGACXBWOUDIN-QMMMGPOBSA-N 1 2 293.335 -1.363 20 0 CAADLO CC[C@H](CNC(=O)c1cnn(C)n1)[NH2+]Cc1nnn(C)n1 ZINC001481859921 892629900 /nfs/dbraw/zinc/62/99/00/892629900.db2.gz MWZYLMKPDWHJTD-MRVPVSSYSA-N 1 2 293.335 -1.363 20 0 CAADLO CNC(=O)C[NH2+]C[C@@H](O)CNC(=O)C(F)C(F)(F)F ZINC001482730888 892680355 /nfs/dbraw/zinc/68/03/55/892680355.db2.gz IKBHDGIRYMETET-IYSWYEEDSA-N 1 2 289.229 -1.301 20 0 CAADLO CNC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@@H](F)C(F)(F)F ZINC001482730888 892680368 /nfs/dbraw/zinc/68/03/68/892680368.db2.gz IKBHDGIRYMETET-IYSWYEEDSA-N 1 2 289.229 -1.301 20 0 CAADLO CCOCC[N@@H+]1CCO[C@@H](CNC(=O)CNC(C)=O)C1 ZINC001482177695 892638913 /nfs/dbraw/zinc/63/89/13/892638913.db2.gz AYZMLKOJUFIGRR-LBPRGKRZSA-N 1 2 287.360 -1.024 20 0 CAADLO CCOCC[N@H+]1CCO[C@@H](CNC(=O)CNC(C)=O)C1 ZINC001482177695 892638917 /nfs/dbraw/zinc/63/89/17/892638917.db2.gz AYZMLKOJUFIGRR-LBPRGKRZSA-N 1 2 287.360 -1.024 20 0 CAADLO O=C(NC[C@H]1C[N@H+](CCOCCO)CCO1)c1cn[nH]c1 ZINC001482180943 892638940 /nfs/dbraw/zinc/63/89/40/892638940.db2.gz JUQJUXHZWLXKRL-LBPRGKRZSA-N 1 2 298.343 -1.151 20 0 CAADLO O=C(NC[C@H]1C[N@@H+](CCOCCO)CCO1)c1cn[nH]c1 ZINC001482180943 892638942 /nfs/dbraw/zinc/63/89/42/892638942.db2.gz JUQJUXHZWLXKRL-LBPRGKRZSA-N 1 2 298.343 -1.151 20 0 CAADLO O=C(C[C@@H]1CCNC1=O)NC[C@H]1C[N@@H+](CCO)CCO1 ZINC001482189378 892639310 /nfs/dbraw/zinc/63/93/10/892639310.db2.gz RKTVNNHUFOCKFS-QWRGUYRKSA-N 1 2 285.344 -1.678 20 0 CAADLO O=C(CN1CCCC1=O)NC[C@@H]1C[N@H+](CCO)CCO1 ZINC001482179550 892639007 /nfs/dbraw/zinc/63/90/07/892639007.db2.gz GZSRMMRDMYJPFQ-LLVKDONJSA-N 1 2 285.344 -1.582 20 0 CAADLO O=C(CN1CCCC1=O)NC[C@@H]1C[N@@H+](CCO)CCO1 ZINC001482179550 892639010 /nfs/dbraw/zinc/63/90/10/892639010.db2.gz GZSRMMRDMYJPFQ-LLVKDONJSA-N 1 2 285.344 -1.582 20 0 CAADLO O=C(C[C@@H]1CCNC1=O)NC[C@H]1C[N@H+](CCO)CCO1 ZINC001482189378 892639305 /nfs/dbraw/zinc/63/93/05/892639305.db2.gz RKTVNNHUFOCKFS-QWRGUYRKSA-N 1 2 285.344 -1.678 20 0 CAADLO O=C(C[C@@H]1COC(=O)C1)NC[C@@H]1C[N@H+](CCO)CCO1 ZINC001482187129 892639840 /nfs/dbraw/zinc/63/98/40/892639840.db2.gz SAWLRADHCDTEKU-WDEREUQCSA-N 1 2 286.328 -1.251 20 0 CAADLO O=C(C[C@@H]1COC(=O)C1)NC[C@@H]1C[N@@H+](CCO)CCO1 ZINC001482187129 892639847 /nfs/dbraw/zinc/63/98/47/892639847.db2.gz SAWLRADHCDTEKU-WDEREUQCSA-N 1 2 286.328 -1.251 20 0 CAADLO O=C(CN1CCCC1=O)NC[C@H]1C[N@H+](CCO)CCO1 ZINC001482179551 892639872 /nfs/dbraw/zinc/63/98/72/892639872.db2.gz GZSRMMRDMYJPFQ-NSHDSACASA-N 1 2 285.344 -1.582 20 0 CAADLO O=C(CN1CCCC1=O)NC[C@H]1C[N@@H+](CCO)CCO1 ZINC001482179551 892639883 /nfs/dbraw/zinc/63/98/83/892639883.db2.gz GZSRMMRDMYJPFQ-NSHDSACASA-N 1 2 285.344 -1.582 20 0 CAADLO O=C(C[C@H]1COC(=O)C1)NC[C@@H]1C[N@H+](CCO)CCO1 ZINC001482187126 892640361 /nfs/dbraw/zinc/64/03/61/892640361.db2.gz SAWLRADHCDTEKU-GHMZBOCLSA-N 1 2 286.328 -1.251 20 0 CAADLO O=C(C[C@H]1COC(=O)C1)NC[C@@H]1C[N@@H+](CCO)CCO1 ZINC001482187126 892640370 /nfs/dbraw/zinc/64/03/70/892640370.db2.gz SAWLRADHCDTEKU-GHMZBOCLSA-N 1 2 286.328 -1.251 20 0 CAADLO COCC[N@@H+]1CCO[C@H](CNC(=O)[C@]2(C)CCNC2=O)C1 ZINC001482200182 892641304 /nfs/dbraw/zinc/64/13/04/892641304.db2.gz RNCLWHRSHWULIN-BXUZGUMPSA-N 1 2 299.371 -1.024 20 0 CAADLO COCC[N@H+]1CCO[C@H](CNC(=O)[C@]2(C)CCNC2=O)C1 ZINC001482200182 892641312 /nfs/dbraw/zinc/64/13/12/892641312.db2.gz RNCLWHRSHWULIN-BXUZGUMPSA-N 1 2 299.371 -1.024 20 0 CAADLO CNC(=O)C1(C(=O)NC[C@@H]2C[N@H+](CCO)CCO2)CCC1 ZINC001482204999 892641719 /nfs/dbraw/zinc/64/17/19/892641719.db2.gz KINCMTZRAKPKDU-LLVKDONJSA-N 1 2 299.371 -1.288 20 0 CAADLO CNC(=O)C1(C(=O)NC[C@@H]2C[N@@H+](CCO)CCO2)CCC1 ZINC001482204999 892641727 /nfs/dbraw/zinc/64/17/27/892641727.db2.gz KINCMTZRAKPKDU-LLVKDONJSA-N 1 2 299.371 -1.288 20 0 CAADLO Cc1nnc(CC(=O)NC[C@H]2C[N@H+](CCO)CCO2)[nH]1 ZINC001482193756 892642124 /nfs/dbraw/zinc/64/21/24/892642124.db2.gz ZFDLKKUYHQPRRS-JTQLQIEISA-N 1 2 283.332 -1.535 20 0 CAADLO Cc1nnc(CC(=O)NC[C@H]2C[N@@H+](CCO)CCO2)[nH]1 ZINC001482193756 892642132 /nfs/dbraw/zinc/64/21/32/892642132.db2.gz ZFDLKKUYHQPRRS-JTQLQIEISA-N 1 2 283.332 -1.535 20 0 CAADLO NC(=O)CN1CCO[C@@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001482210477 892642422 /nfs/dbraw/zinc/64/24/22/892642422.db2.gz VKBLVQPWZFWMGY-JTQLQIEISA-N 1 2 281.316 -1.815 20 0 CAADLO Cn1ccc(CC(=O)NC[C@@H]2C[N@H+](CCO)CCO2)n1 ZINC001482193593 892642614 /nfs/dbraw/zinc/64/26/14/892642614.db2.gz XSADLRPZPKMKOL-GFCCVEGCSA-N 1 2 282.344 -1.228 20 0 CAADLO Cn1ccc(CC(=O)NC[C@@H]2C[N@@H+](CCO)CCO2)n1 ZINC001482193593 892642619 /nfs/dbraw/zinc/64/26/19/892642619.db2.gz XSADLRPZPKMKOL-GFCCVEGCSA-N 1 2 282.344 -1.228 20 0 CAADLO CNC(=O)C1(C(=O)NC[C@H]2C[N@H+](CCO)CCO2)CCC1 ZINC001482205001 892642833 /nfs/dbraw/zinc/64/28/33/892642833.db2.gz KINCMTZRAKPKDU-NSHDSACASA-N 1 2 299.371 -1.288 20 0 CAADLO CNC(=O)C1(C(=O)NC[C@H]2C[N@@H+](CCO)CCO2)CCC1 ZINC001482205001 892642839 /nfs/dbraw/zinc/64/28/39/892642839.db2.gz KINCMTZRAKPKDU-NSHDSACASA-N 1 2 299.371 -1.288 20 0 CAADLO COCC[N@@H+]1CCO[C@@H](CNC(=O)[C@]2(C)CCNC2=O)C1 ZINC001482200190 892643461 /nfs/dbraw/zinc/64/34/61/892643461.db2.gz RNCLWHRSHWULIN-SMDDNHRTSA-N 1 2 299.371 -1.024 20 0 CAADLO COCC[N@H+]1CCO[C@@H](CNC(=O)[C@]2(C)CCNC2=O)C1 ZINC001482200190 892643465 /nfs/dbraw/zinc/64/34/65/892643465.db2.gz RNCLWHRSHWULIN-SMDDNHRTSA-N 1 2 299.371 -1.024 20 0 CAADLO COC[C@@H](OC)C(=O)NC[C@@H]1C[N@H+](CCO)CCO1 ZINC001482199719 892643582 /nfs/dbraw/zinc/64/35/82/892643582.db2.gz NHJCWUXFLZBOKN-GHMZBOCLSA-N 1 2 276.333 -1.543 20 0 CAADLO COC[C@@H](OC)C(=O)NC[C@@H]1C[N@@H+](CCO)CCO1 ZINC001482199719 892643587 /nfs/dbraw/zinc/64/35/87/892643587.db2.gz NHJCWUXFLZBOKN-GHMZBOCLSA-N 1 2 276.333 -1.543 20 0 CAADLO C[C@H](C[NH2+]Cc1csnn1)N(C)C(=O)C(N)=O ZINC001482326069 892645956 /nfs/dbraw/zinc/64/59/56/892645956.db2.gz POQIOIWQTQEEGO-ZCFIWIBFSA-N 1 2 257.319 -1.040 20 0 CAADLO Cc1nnc(C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]2CNC(=O)N2)o1 ZINC001482327929 892645673 /nfs/dbraw/zinc/64/56/73/892645673.db2.gz XQFLBGPWDIEYTD-VXNVDRBHSA-N 1 2 296.331 -1.004 20 0 CAADLO Cc1nnc(C[NH2+]C[C@H](C)N(C)C(=O)[C@H]2CNC(=O)N2)o1 ZINC001482327928 892645726 /nfs/dbraw/zinc/64/57/26/892645726.db2.gz XQFLBGPWDIEYTD-IONNQARKSA-N 1 2 296.331 -1.004 20 0 CAADLO CNC(=O)C[N@H+](C)CCN(C)C(=O)c1nnn(C)n1 ZINC001482619585 892651316 /nfs/dbraw/zinc/65/13/16/892651316.db2.gz CISUXPUYXWSJGX-UHFFFAOYSA-N 1 2 269.309 -2.040 20 0 CAADLO CNC(=O)C[N@@H+](C)CCN(C)C(=O)c1nnn(C)n1 ZINC001482619585 892651321 /nfs/dbraw/zinc/65/13/21/892651321.db2.gz CISUXPUYXWSJGX-UHFFFAOYSA-N 1 2 269.309 -2.040 20 0 CAADLO C[C@@H](C(N)=O)[N@H+](C)CCN(C)C(=O)C(=O)NCC(F)F ZINC001482608957 892651913 /nfs/dbraw/zinc/65/19/13/892651913.db2.gz ZJUKLSUXEVGIRX-ZETCQYMHSA-N 1 2 294.302 -1.368 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+](C)CCN(C)C(=O)C(=O)NCC(F)F ZINC001482608957 892651922 /nfs/dbraw/zinc/65/19/22/892651922.db2.gz ZJUKLSUXEVGIRX-ZETCQYMHSA-N 1 2 294.302 -1.368 20 0 CAADLO CNC(=O)C[N@H+](C)CCN(C)C(=O)c1nnn(C)c1C ZINC001482587167 892652373 /nfs/dbraw/zinc/65/23/73/892652373.db2.gz ADEBITYJZVVRGU-UHFFFAOYSA-N 1 2 282.348 -1.127 20 0 CAADLO CNC(=O)C[N@@H+](C)CCN(C)C(=O)c1nnn(C)c1C ZINC001482587167 892652379 /nfs/dbraw/zinc/65/23/79/892652379.db2.gz ADEBITYJZVVRGU-UHFFFAOYSA-N 1 2 282.348 -1.127 20 0 CAADLO CNC(=O)C[N@H+](C)CCN(C)C(=O)c1cn[nH]n1 ZINC001482609821 892652538 /nfs/dbraw/zinc/65/25/38/892652538.db2.gz HEHWSOMEZFZKCL-UHFFFAOYSA-N 1 2 254.294 -1.446 20 0 CAADLO CNC(=O)C[N@@H+](C)CCN(C)C(=O)c1cn[nH]n1 ZINC001482609821 892652541 /nfs/dbraw/zinc/65/25/41/892652541.db2.gz HEHWSOMEZFZKCL-UHFFFAOYSA-N 1 2 254.294 -1.446 20 0 CAADLO CNC(=O)C[N@H+](C)CCN(C)C(=O)Cn1ncn(C)c1=O ZINC001482607658 892653005 /nfs/dbraw/zinc/65/30/05/892653005.db2.gz IDSHXOKANFSGDJ-UHFFFAOYSA-N 1 2 298.347 -2.282 20 0 CAADLO CNC(=O)C[N@@H+](C)CCN(C)C(=O)Cn1ncn(C)c1=O ZINC001482607658 892653013 /nfs/dbraw/zinc/65/30/13/892653013.db2.gz IDSHXOKANFSGDJ-UHFFFAOYSA-N 1 2 298.347 -2.282 20 0 CAADLO CNC(=O)C[N@H+](C)CCN(C)C(=O)[C@@H]1CCC(=O)NC1 ZINC001482607981 892653553 /nfs/dbraw/zinc/65/35/53/892653553.db2.gz MEZWXZUMCWLOST-SNVBAGLBSA-N 1 2 284.360 -1.351 20 0 CAADLO CNC(=O)C[N@@H+](C)CCN(C)C(=O)[C@@H]1CCC(=O)NC1 ZINC001482607981 892653561 /nfs/dbraw/zinc/65/35/61/892653561.db2.gz MEZWXZUMCWLOST-SNVBAGLBSA-N 1 2 284.360 -1.351 20 0 CAADLO CN(CC[N@H+](C)CC(N)=O)C(=O)c1nccnc1N ZINC001482586550 892654296 /nfs/dbraw/zinc/65/42/96/892654296.db2.gz SPRRSFZMYPEYFI-UHFFFAOYSA-N 1 2 266.305 -1.452 20 0 CAADLO CN(CC[N@@H+](C)CC(N)=O)C(=O)c1nccnc1N ZINC001482586550 892654301 /nfs/dbraw/zinc/65/43/01/892654301.db2.gz SPRRSFZMYPEYFI-UHFFFAOYSA-N 1 2 266.305 -1.452 20 0 CAADLO CCN1CCOC[C@@H]1C(=O)N(C)CC[N@H+](C)CC(N)=O ZINC001482608944 892654338 /nfs/dbraw/zinc/65/43/38/892654338.db2.gz YYMUADRTZYLEFS-LLVKDONJSA-N 1 2 286.376 -1.417 20 0 CAADLO CCN1CCOC[C@@H]1C(=O)N(C)CC[N@@H+](C)CC(N)=O ZINC001482608944 892654342 /nfs/dbraw/zinc/65/43/42/892654342.db2.gz YYMUADRTZYLEFS-LLVKDONJSA-N 1 2 286.376 -1.417 20 0 CAADLO CN(CC[N@H+](C)CC(N)=O)C(=O)C[C@H]1CCCC(=O)N1 ZINC001482612486 892654429 /nfs/dbraw/zinc/65/44/29/892654429.db2.gz FFUFUEPZWKJHLO-SNVBAGLBSA-N 1 2 284.360 -1.079 20 0 CAADLO CN(CC[N@@H+](C)CC(N)=O)C(=O)C[C@H]1CCCC(=O)N1 ZINC001482612486 892654431 /nfs/dbraw/zinc/65/44/31/892654431.db2.gz FFUFUEPZWKJHLO-SNVBAGLBSA-N 1 2 284.360 -1.079 20 0 CAADLO CCNC(=O)C[N@H+](C)CCN(C)C(=O)[C@@H]1CCNC1=O ZINC001482619275 892654452 /nfs/dbraw/zinc/65/44/52/892654452.db2.gz PYYNINMDVMRCJV-SNVBAGLBSA-N 1 2 284.360 -1.351 20 0 CAADLO CCNC(=O)C[N@@H+](C)CCN(C)C(=O)[C@@H]1CCNC1=O ZINC001482619275 892654456 /nfs/dbraw/zinc/65/44/56/892654456.db2.gz PYYNINMDVMRCJV-SNVBAGLBSA-N 1 2 284.360 -1.351 20 0 CAADLO CN(CC[N@H+](C)CC(N)=O)C(=O)c1c[nH]c(C(N)=O)c1 ZINC001482650609 892656642 /nfs/dbraw/zinc/65/66/42/892656642.db2.gz XROGIMLCCPEMPB-UHFFFAOYSA-N 1 2 281.316 -1.397 20 0 CAADLO CN(CC[N@@H+](C)CC(N)=O)C(=O)c1c[nH]c(C(N)=O)c1 ZINC001482650609 892656651 /nfs/dbraw/zinc/65/66/51/892656651.db2.gz XROGIMLCCPEMPB-UHFFFAOYSA-N 1 2 281.316 -1.397 20 0 CAADLO CN(CC[N@H+](C)CC(=O)N1CCC1)C(=O)Cc1nnc[nH]1 ZINC001482641041 892657509 /nfs/dbraw/zinc/65/75/09/892657509.db2.gz LWWPQIYNCXAAFE-UHFFFAOYSA-N 1 2 294.359 -1.030 20 0 CAADLO CN(CC[N@@H+](C)CC(=O)N1CCC1)C(=O)Cc1nnc[nH]1 ZINC001482641041 892657516 /nfs/dbraw/zinc/65/75/16/892657516.db2.gz LWWPQIYNCXAAFE-UHFFFAOYSA-N 1 2 294.359 -1.030 20 0 CAADLO CC(=O)NCC(=O)NC[C@H](O)C[NH2+][C@H](C)c1nc(C)no1 ZINC001482701964 892659529 /nfs/dbraw/zinc/65/95/29/892659529.db2.gz JYXRQGSXSIYKKC-GMSGAONNSA-N 1 2 299.331 -1.358 20 0 CAADLO CC(=O)N[C@H](C)C(=O)NC[C@H](O)C[NH2+]Cc1nc(C)no1 ZINC001482704670 892660355 /nfs/dbraw/zinc/66/03/55/892660355.db2.gz CRRZKMSEOBCLKW-GMSGAONNSA-N 1 2 299.331 -1.531 20 0 CAADLO CC(=O)NCC(=O)NC[C@H](O)C[NH2+][C@@H](C)c1nc(C)no1 ZINC001482701969 892660645 /nfs/dbraw/zinc/66/06/45/892660645.db2.gz JYXRQGSXSIYKKC-OIBJUYFYSA-N 1 2 299.331 -1.358 20 0 CAADLO Cc1noc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2COC(=O)N2)n1 ZINC001482725267 892672963 /nfs/dbraw/zinc/67/29/63/892672963.db2.gz UFOGJWHOHQDWCM-SFYZADRCSA-N 1 2 299.287 -1.947 20 0 CAADLO Cc1noc(C[NH2+]C[C@H](O)CNC(=O)[C@]23C[C@H]2COC3)n1 ZINC001482731637 892679152 /nfs/dbraw/zinc/67/91/52/892679152.db2.gz XHHVEZSZEDDVCL-KWBADKCTSA-N 1 2 296.327 -1.019 20 0 CAADLO CNC(=O)C[NH2+]C[C@H](O)CNC(=O)C(F)C(F)(F)F ZINC001482730886 892679443 /nfs/dbraw/zinc/67/94/43/892679443.db2.gz IKBHDGIRYMETET-CAHLUQPWSA-N 1 2 289.229 -1.301 20 0 CAADLO CNC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@@H](F)C(F)(F)F ZINC001482730886 892679451 /nfs/dbraw/zinc/67/94/51/892679451.db2.gz IKBHDGIRYMETET-CAHLUQPWSA-N 1 2 289.229 -1.301 20 0 CAADLO CNC(=O)C[NH2+]C[C@H](O)CNC(=O)C(F)C(F)(F)F ZINC001482730887 892679564 /nfs/dbraw/zinc/67/95/64/892679564.db2.gz IKBHDGIRYMETET-FSPLSTOPSA-N 1 2 289.229 -1.301 20 0 CAADLO CNC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@H](F)C(F)(F)F ZINC001482730887 892679570 /nfs/dbraw/zinc/67/95/70/892679570.db2.gz IKBHDGIRYMETET-FSPLSTOPSA-N 1 2 289.229 -1.301 20 0 CAADLO CNC(=O)C[NH2+]C[C@@H](O)CNC(=O)C(F)C(F)(F)F ZINC001482730889 892680868 /nfs/dbraw/zinc/68/08/68/892680868.db2.gz IKBHDGIRYMETET-VDTYLAMSSA-N 1 2 289.229 -1.301 20 0 CAADLO CNC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@H](F)C(F)(F)F ZINC001482730889 892680871 /nfs/dbraw/zinc/68/08/71/892680871.db2.gz IKBHDGIRYMETET-VDTYLAMSSA-N 1 2 289.229 -1.301 20 0 CAADLO Cn1ccnc1C[NH2+]C[C@H](O)CNC(=O)c1cn[nH]n1 ZINC001482745701 892684984 /nfs/dbraw/zinc/68/49/84/892684984.db2.gz VMJVAQVGYHWBIX-QMMMGPOBSA-N 1 2 279.304 -1.581 20 0 CAADLO Cn1ccnc1C[NH2+]C[C@H](O)CNC(=O)c1cnn[nH]1 ZINC001482745701 892684991 /nfs/dbraw/zinc/68/49/91/892684991.db2.gz VMJVAQVGYHWBIX-QMMMGPOBSA-N 1 2 279.304 -1.581 20 0 CAADLO CCn1cc(C[NH2+]C[C@H](O)CNC(=O)c2cn[nH]n2)nn1 ZINC001482745319 892685334 /nfs/dbraw/zinc/68/53/34/892685334.db2.gz NOJRIWQAIGSDIU-VIFPVBQESA-N 1 2 294.319 -1.703 20 0 CAADLO CCn1cc(C[NH2+]C[C@H](O)CNC(=O)c2cnn[nH]2)nn1 ZINC001482745319 892685343 /nfs/dbraw/zinc/68/53/43/892685343.db2.gz NOJRIWQAIGSDIU-VIFPVBQESA-N 1 2 294.319 -1.703 20 0 CAADLO Cc1conc1C[NH2+]C[C@@H](O)CNC(=O)c1cn[nH]n1 ZINC001482745196 892685865 /nfs/dbraw/zinc/68/58/65/892685865.db2.gz LOROSVOFCUAJFV-MRVPVSSYSA-N 1 2 280.288 -1.018 20 0 CAADLO Cc1conc1C[NH2+]C[C@@H](O)CNC(=O)c1cnn[nH]1 ZINC001482745196 892685874 /nfs/dbraw/zinc/68/58/74/892685874.db2.gz LOROSVOFCUAJFV-MRVPVSSYSA-N 1 2 280.288 -1.018 20 0 CAADLO Cc1nnc(C[NH2+]C[C@@H](O)CNC(=O)[C@H]2CCNC2=O)o1 ZINC001482758162 892689346 /nfs/dbraw/zinc/68/93/46/892689346.db2.gz XPLMVKWKVFDCNJ-BDAKNGLRSA-N 1 2 297.315 -1.919 20 0 CAADLO CCc1noc(C[NH2+]C[C@H](O)CNC(=O)c2cnon2)n1 ZINC001482778959 892698076 /nfs/dbraw/zinc/69/80/76/892698076.db2.gz FULNWDBRSJBAJG-ZETCQYMHSA-N 1 2 296.287 -1.105 20 0 CAADLO Cn1ncc(C(=O)NC[C@@H](O)C[NH2+]Cc2cnsn2)n1 ZINC001482775040 892699273 /nfs/dbraw/zinc/69/92/73/892699273.db2.gz JTQVEHOEPJMCBN-QMMMGPOBSA-N 1 2 297.344 -1.453 20 0 CAADLO Cc1noc(C[NH2+]C[C@H](O)CNC(=O)c2cnon2)n1 ZINC001482779597 892702487 /nfs/dbraw/zinc/70/24/87/892702487.db2.gz MWKUXIZAZOWXDO-ZETCQYMHSA-N 1 2 282.260 -1.358 20 0 CAADLO Cn1nnnc1C[NH2+]C/C=C/CNC(=O)[C@@H]1COCCO1 ZINC001482981936 892717911 /nfs/dbraw/zinc/71/79/11/892717911.db2.gz UYSXVCAOIVRZJI-PBKGFPTLSA-N 1 2 296.331 -1.613 20 0 CAADLO CS(=O)(=O)CC(=O)NC/C=C/C[NH2+]Cc1cnon1 ZINC001482986432 892718837 /nfs/dbraw/zinc/71/88/37/892718837.db2.gz HYDDOCRXALSQOE-NSCUHMNNSA-N 1 2 288.329 -1.124 20 0 CAADLO CCN(CC[NH2+][C@@H]1CCNC1=O)C(=O)Cc1ncn[nH]1 ZINC001482961439 892719257 /nfs/dbraw/zinc/71/92/57/892719257.db2.gz HUYPZGZYCOPTMB-SECBINFHSA-N 1 2 280.332 -1.326 20 0 CAADLO CCN(CC[NH2+][C@H](C)c1nnnn1C)C(=O)C(N)=O ZINC001482949020 892719402 /nfs/dbraw/zinc/71/94/02/892719402.db2.gz JXAZXIVVWDKPGX-SSDOTTSWSA-N 1 2 269.309 -1.806 20 0 CAADLO CCN(CC[NH2+]Cc1ncnn1C)C(=O)C(N)=O ZINC001482947666 892719814 /nfs/dbraw/zinc/71/98/14/892719814.db2.gz AUSFBSRWMONYQB-UHFFFAOYSA-N 1 2 254.294 -1.762 20 0 CAADLO CNC(=O)NCC(=O)NC/C=C/C[NH2+]Cc1ncnn1C ZINC001483015396 892722519 /nfs/dbraw/zinc/72/25/19/892722519.db2.gz KHJQMELEGKDSCF-ONEGZZNKSA-N 1 2 295.347 -1.494 20 0 CAADLO Cn1nnnc1C[NH2+]C/C=C\CNC(=O)C(N)=O ZINC001483051319 892724208 /nfs/dbraw/zinc/72/42/08/892724208.db2.gz AEHSEEXGGXPVMM-IHWYPQMZSA-N 1 2 253.266 -2.543 20 0 CAADLO Cn1nnnc1C[NH2+]C/C=C\CNC(=O)[C@@H]1CCNC1=O ZINC001483045751 892724755 /nfs/dbraw/zinc/72/47/55/892724755.db2.gz YLOMZWQBMFGIDA-XADBCAIWSA-N 1 2 293.331 -1.892 20 0 CAADLO Cn1nnnc1C[NH2+]C/C=C/CNC(=O)C(N)=O ZINC001483051320 892725642 /nfs/dbraw/zinc/72/56/42/892725642.db2.gz AEHSEEXGGXPVMM-NSCUHMNNSA-N 1 2 253.266 -2.543 20 0 CAADLO CCn1ncc(C[NH2+]C/C=C/CNC(=O)C(N)=O)n1 ZINC001483052128 892726485 /nfs/dbraw/zinc/72/64/85/892726485.db2.gz JJROGXMPLSZXLY-ONEGZZNKSA-N 1 2 266.305 -1.455 20 0 CAADLO C[C@H](C[NH2+]Cc1nc(=O)n(C)[nH]1)NC(=O)C(F)F ZINC001483101855 892728236 /nfs/dbraw/zinc/72/82/36/892728236.db2.gz QYPICRFTAGQKKZ-RXMQYKEDSA-N 1 2 263.248 -1.032 20 0 CAADLO Cn1ncnc1C[NH2+]C/C=C/CNC(=O)Cn1cncn1 ZINC001483091012 892728876 /nfs/dbraw/zinc/72/88/76/892728876.db2.gz IGVUINPSXGSIQI-NSCUHMNNSA-N 1 2 290.331 -1.131 20 0 CAADLO CNC(=O)Cc1noc(C[NH2+]C[C@@H](C)NC(=O)COC)n1 ZINC001483102033 892729269 /nfs/dbraw/zinc/72/92/69/892729269.db2.gz CODTUQFPNQETAQ-MRVPVSSYSA-N 1 2 299.331 -1.401 20 0 CAADLO Cc1noc(C[NH2+]C[C@@H](C)NC(=O)Cn2ncnn2)n1 ZINC001483129776 892733910 /nfs/dbraw/zinc/73/39/10/892733910.db2.gz ZWDMJHWLEFIHBK-SSDOTTSWSA-N 1 2 280.292 -1.341 20 0 CAADLO C[C@H](C[NH2+]Cc1nc(=O)n(C)[nH]1)NC(=O)c1n[nH]cc1F ZINC001483164409 892735397 /nfs/dbraw/zinc/73/53/97/892735397.db2.gz BJYFJSXYQQXRIK-ZCFIWIBFSA-N 1 2 297.294 -1.121 20 0 CAADLO Cc1cnc(C[NH2+]C[C@@H](C)NC(=O)C(N)=O)nc1 ZINC001483163963 892737022 /nfs/dbraw/zinc/73/70/22/892737022.db2.gz SBRPBDHOOCGFGZ-MRVPVSSYSA-N 1 2 251.290 -1.135 20 0 CAADLO CC(=O)NCC(=O)N[C@@H](C)C[NH2+]Cc1nc(N(C)C)no1 ZINC001483204703 892739423 /nfs/dbraw/zinc/73/94/23/892739423.db2.gz JSBCBMVCAUDNLT-QMMMGPOBSA-N 1 2 298.347 -1.134 20 0 CAADLO C[C@@H](C[NH2+]Cc1csnn1)NC(=O)Cn1ncnn1 ZINC001483228920 892742094 /nfs/dbraw/zinc/74/20/94/892742094.db2.gz RSEMYFDJGZIZSG-ZETCQYMHSA-N 1 2 282.333 -1.181 20 0 CAADLO CCC(=O)N[C@@H](C)C[N@H+](C)CC(=O)N1CCNC(=O)C1 ZINC001483302899 892754764 /nfs/dbraw/zinc/75/47/64/892754764.db2.gz GFKLFPYSDVZOTG-JTQLQIEISA-N 1 2 284.360 -1.209 20 0 CAADLO CCC(=O)N[C@@H](C)C[N@@H+](C)CC(=O)N1CCNC(=O)C1 ZINC001483302899 892754768 /nfs/dbraw/zinc/75/47/68/892754768.db2.gz GFKLFPYSDVZOTG-JTQLQIEISA-N 1 2 284.360 -1.209 20 0 CAADLO C[C@H](C[N@H+](C)CC(=O)NCC1CCC1)NC(=O)C(N)=O ZINC001483383371 892758329 /nfs/dbraw/zinc/75/83/29/892758329.db2.gz WZAQKMCGGFCCIV-SECBINFHSA-N 1 2 284.360 -1.176 20 0 CAADLO C[C@H](C[N@@H+](C)CC(=O)NCC1CCC1)NC(=O)C(N)=O ZINC001483383371 892758345 /nfs/dbraw/zinc/75/83/45/892758345.db2.gz WZAQKMCGGFCCIV-SECBINFHSA-N 1 2 284.360 -1.176 20 0 CAADLO C[C@@H](C[N@H+](C)CC(N)=O)NC(=O)C(=O)NCC(F)F ZINC001483358313 892759017 /nfs/dbraw/zinc/75/90/17/892759017.db2.gz XADOOFLXMNTFIA-LURJTMIESA-N 1 2 280.275 -1.711 20 0 CAADLO C[C@@H](C[N@@H+](C)CC(N)=O)NC(=O)C(=O)NCC(F)F ZINC001483358313 892759026 /nfs/dbraw/zinc/75/90/26/892759026.db2.gz XADOOFLXMNTFIA-LURJTMIESA-N 1 2 280.275 -1.711 20 0 CAADLO C[C@H](C[N@H+](C)CC(N)=O)NC(=O)C(=O)NCC1CC1 ZINC001483400413 892760645 /nfs/dbraw/zinc/76/06/45/892760645.db2.gz HYVVLVLQZCNAEA-MRVPVSSYSA-N 1 2 270.333 -1.566 20 0 CAADLO C[C@H](C[N@@H+](C)CC(N)=O)NC(=O)C(=O)NCC1CC1 ZINC001483400413 892760654 /nfs/dbraw/zinc/76/06/54/892760654.db2.gz HYVVLVLQZCNAEA-MRVPVSSYSA-N 1 2 270.333 -1.566 20 0 CAADLO CCOCCNC(=O)C[N@H+](C)C[C@@H](C)NC(=O)C(N)=O ZINC001483380322 892760919 /nfs/dbraw/zinc/76/09/19/892760919.db2.gz BEYMTOOBJLAXBC-SECBINFHSA-N 1 2 288.348 -1.939 20 0 CAADLO CCOCCNC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)C(N)=O ZINC001483380322 892760933 /nfs/dbraw/zinc/76/09/33/892760933.db2.gz BEYMTOOBJLAXBC-SECBINFHSA-N 1 2 288.348 -1.939 20 0 CAADLO C[C@@H](C[N@H+](C)Cc1nc(=O)n(C)[nH]1)NC(=O)c1cnon1 ZINC001483397085 892761226 /nfs/dbraw/zinc/76/12/26/892761226.db2.gz GFTPQSWKHKJNQM-ZETCQYMHSA-N 1 2 295.303 -1.258 20 0 CAADLO C[C@@H](C[N@@H+](C)Cc1nc(=O)n(C)[nH]1)NC(=O)c1cnon1 ZINC001483397085 892761240 /nfs/dbraw/zinc/76/12/40/892761240.db2.gz GFTPQSWKHKJNQM-ZETCQYMHSA-N 1 2 295.303 -1.258 20 0 CAADLO C[C@@H](C[N@H+](C)CC(N)=O)NC(=O)C(=O)NCC1CC1 ZINC001483400414 892761418 /nfs/dbraw/zinc/76/14/18/892761418.db2.gz HYVVLVLQZCNAEA-QMMMGPOBSA-N 1 2 270.333 -1.566 20 0 CAADLO C[C@@H](C[N@@H+](C)CC(N)=O)NC(=O)C(=O)NCC1CC1 ZINC001483400414 892761429 /nfs/dbraw/zinc/76/14/29/892761429.db2.gz HYVVLVLQZCNAEA-QMMMGPOBSA-N 1 2 270.333 -1.566 20 0 CAADLO C[C@@H](C[N@H+](C)CC(=O)NCC1CCC1)NC(=O)C(N)=O ZINC001483383373 892761676 /nfs/dbraw/zinc/76/16/76/892761676.db2.gz WZAQKMCGGFCCIV-VIFPVBQESA-N 1 2 284.360 -1.176 20 0 CAADLO C[C@@H](C[N@@H+](C)CC(=O)NCC1CCC1)NC(=O)C(N)=O ZINC001483383373 892761686 /nfs/dbraw/zinc/76/16/86/892761686.db2.gz WZAQKMCGGFCCIV-VIFPVBQESA-N 1 2 284.360 -1.176 20 0 CAADLO C[C@@H](C[N@H+](C)[C@@H](C)C(N)=O)NC(=O)Cc1nnc[nH]1 ZINC001483406050 892761855 /nfs/dbraw/zinc/76/18/55/892761855.db2.gz PTUDMHGIOONUGC-YUMQZZPRSA-N 1 2 268.321 -1.343 20 0 CAADLO C[C@@H](C[N@@H+](C)[C@@H](C)C(N)=O)NC(=O)Cc1nnc[nH]1 ZINC001483406050 892761865 /nfs/dbraw/zinc/76/18/65/892761865.db2.gz PTUDMHGIOONUGC-YUMQZZPRSA-N 1 2 268.321 -1.343 20 0 CAADLO CC(=O)N(C)CC(=O)N(C)CCC[NH2+]Cc1nnn(C)n1 ZINC001483452652 892763955 /nfs/dbraw/zinc/76/39/55/892763955.db2.gz DSEILOHBWSLFQW-UHFFFAOYSA-N 1 2 297.363 -1.374 20 0 CAADLO CN(CCC[NH2+]Cc1nnn(C)n1)C(=O)[C@H]1COCCO1 ZINC001483453980 892765659 /nfs/dbraw/zinc/76/56/59/892765659.db2.gz MRLVELJIZVDLEV-SNVBAGLBSA-N 1 2 298.347 -1.436 20 0 CAADLO CNC(=O)C[NH2+]CCCN(C)C(=O)Cc1ncn[nH]1 ZINC001483503531 892767097 /nfs/dbraw/zinc/76/70/97/892767097.db2.gz OICVLKKYPDVSED-UHFFFAOYSA-N 1 2 268.321 -1.469 20 0 CAADLO Cn1nnc(C[NH2+]C[C@@H](NC(=O)CC(N)=O)C2CC2)n1 ZINC001483548652 892771182 /nfs/dbraw/zinc/77/11/82/892771182.db2.gz OXVWHVGMVFGZRW-MRVPVSSYSA-N 1 2 281.320 -1.930 20 0 CAADLO NC(=O)C(=O)N[C@H](C[NH2+]Cc1cnon1)C1CC1 ZINC001483583645 892771399 /nfs/dbraw/zinc/77/13/99/892771399.db2.gz OJYFFIMIXDYQFC-MRVPVSSYSA-N 1 2 253.262 -1.461 20 0 CAADLO CCC(=O)NCC(=O)NC[C@H]1CC[N@@H+]1[C@@H]1CCCNC1=O ZINC001483640465 892773212 /nfs/dbraw/zinc/77/32/12/892773212.db2.gz QPJFAROPYPFFFY-GHMZBOCLSA-N 1 2 296.371 -1.018 20 0 CAADLO CCC(=O)NCC(=O)NC[C@H]1CC[N@H+]1[C@@H]1CCCNC1=O ZINC001483640465 892773223 /nfs/dbraw/zinc/77/32/23/892773223.db2.gz QPJFAROPYPFFFY-GHMZBOCLSA-N 1 2 296.371 -1.018 20 0 CAADLO O=C(Cn1cccn1)NC[C@H]1CC[N@@H+]1[C@@H]1CCNC1=O ZINC001483630017 892773285 /nfs/dbraw/zinc/77/32/85/892773285.db2.gz SEDYTQLBRKTGNI-GHMZBOCLSA-N 1 2 277.328 -1.038 20 0 CAADLO O=C(Cn1cccn1)NC[C@H]1CC[N@H+]1[C@@H]1CCNC1=O ZINC001483630017 892773291 /nfs/dbraw/zinc/77/32/91/892773291.db2.gz SEDYTQLBRKTGNI-GHMZBOCLSA-N 1 2 277.328 -1.038 20 0 CAADLO CC(C)NC(=O)C[N@@H+]1CC[C@@H]1CNC(=O)CC(N)=O ZINC001483637818 892773920 /nfs/dbraw/zinc/77/39/20/892773920.db2.gz BYUSMQZAQHZEAP-SECBINFHSA-N 1 2 270.333 -1.423 20 0 CAADLO CC(C)NC(=O)C[N@H+]1CC[C@@H]1CNC(=O)CC(N)=O ZINC001483637818 892773931 /nfs/dbraw/zinc/77/39/31/892773931.db2.gz BYUSMQZAQHZEAP-SECBINFHSA-N 1 2 270.333 -1.423 20 0 CAADLO O=C(CN1CCCC1=O)NC[C@@H]1CC[N@@H+]1[C@H]1CCNC1=O ZINC001483630436 892774117 /nfs/dbraw/zinc/77/41/17/892774117.db2.gz XAROSDYNUKXZIA-QWRGUYRKSA-N 1 2 294.355 -1.312 20 0 CAADLO O=C(CN1CCCC1=O)NC[C@@H]1CC[N@H+]1[C@H]1CCNC1=O ZINC001483630436 892774137 /nfs/dbraw/zinc/77/41/37/892774137.db2.gz XAROSDYNUKXZIA-QWRGUYRKSA-N 1 2 294.355 -1.312 20 0 CAADLO CCC(=O)NCC(=O)NC[C@@H]1CC[N@@H+]1[C@H](C)C(=O)NC ZINC001483639040 892774275 /nfs/dbraw/zinc/77/42/75/892774275.db2.gz DAHZKWUYTIXNKS-ZJUUUORDSA-N 1 2 284.360 -1.162 20 0 CAADLO CCC(=O)NCC(=O)NC[C@@H]1CC[N@H+]1[C@H](C)C(=O)NC ZINC001483639040 892774288 /nfs/dbraw/zinc/77/42/88/892774288.db2.gz DAHZKWUYTIXNKS-ZJUUUORDSA-N 1 2 284.360 -1.162 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+]1CC[C@H]1CNC(=O)CC(N)=O ZINC001483638470 892774360 /nfs/dbraw/zinc/77/43/60/892774360.db2.gz PTDIFINCHCNSHL-SFYZADRCSA-N 1 2 256.306 -1.813 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+]1CC[C@H]1CNC(=O)CC(N)=O ZINC001483638470 892774372 /nfs/dbraw/zinc/77/43/72/892774372.db2.gz PTDIFINCHCNSHL-SFYZADRCSA-N 1 2 256.306 -1.813 20 0 CAADLO O=C(Cn1cnnn1)NC[C@H]1CC[N@@H+]1CC(=O)N1CCC1 ZINC001483628688 892774618 /nfs/dbraw/zinc/77/46/18/892774618.db2.gz IDFVLDUKHFSVTM-SNVBAGLBSA-N 1 2 293.331 -1.904 20 0 CAADLO O=C(Cn1cnnn1)NC[C@H]1CC[N@H+]1CC(=O)N1CCC1 ZINC001483628688 892774627 /nfs/dbraw/zinc/77/46/27/892774627.db2.gz IDFVLDUKHFSVTM-SNVBAGLBSA-N 1 2 293.331 -1.904 20 0 CAADLO CCNC(=O)CC(=O)NC[C@H]1CC[N@@H+]1CC(=O)N(C)C ZINC001483643652 892774881 /nfs/dbraw/zinc/77/48/81/892774881.db2.gz VAPGDSFFVFDEEH-SNVBAGLBSA-N 1 2 284.360 -1.209 20 0 CAADLO CCNC(=O)CC(=O)NC[C@H]1CC[N@H+]1CC(=O)N(C)C ZINC001483643652 892774889 /nfs/dbraw/zinc/77/48/89/892774889.db2.gz VAPGDSFFVFDEEH-SNVBAGLBSA-N 1 2 284.360 -1.209 20 0 CAADLO CCC(=O)NCC(=O)NC[C@@H]1CC[N@@H+]1[C@@H](C)C(=O)NC ZINC001483638983 892774966 /nfs/dbraw/zinc/77/49/66/892774966.db2.gz DAHZKWUYTIXNKS-UWVGGRQHSA-N 1 2 284.360 -1.162 20 0 CAADLO CCC(=O)NCC(=O)NC[C@@H]1CC[N@H+]1[C@@H](C)C(=O)NC ZINC001483638983 892774971 /nfs/dbraw/zinc/77/49/71/892774971.db2.gz DAHZKWUYTIXNKS-UWVGGRQHSA-N 1 2 284.360 -1.162 20 0 CAADLO CCC(=O)NCC(=O)NC[C@@H]1CC[N@@H+]1[C@@H](C)C(N)=O ZINC001483639117 892775025 /nfs/dbraw/zinc/77/50/25/892775025.db2.gz DLXQPSXUKCOAAP-IUCAKERBSA-N 1 2 270.333 -1.423 20 0 CAADLO CCC(=O)NCC(=O)NC[C@@H]1CC[N@H+]1[C@@H](C)C(N)=O ZINC001483639117 892775031 /nfs/dbraw/zinc/77/50/31/892775031.db2.gz DLXQPSXUKCOAAP-IUCAKERBSA-N 1 2 270.333 -1.423 20 0 CAADLO O=C(Cn1cccn1)NC[C@@H]1CC[N@@H+]1[C@H]1CCNC1=O ZINC001483630021 892775082 /nfs/dbraw/zinc/77/50/82/892775082.db2.gz SEDYTQLBRKTGNI-QWRGUYRKSA-N 1 2 277.328 -1.038 20 0 CAADLO O=C(Cn1cccn1)NC[C@@H]1CC[N@H+]1[C@H]1CCNC1=O ZINC001483630021 892775088 /nfs/dbraw/zinc/77/50/88/892775088.db2.gz SEDYTQLBRKTGNI-QWRGUYRKSA-N 1 2 277.328 -1.038 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CC[C@@H]1CNC(=O)CN1CCOCC1=O ZINC001483657745 892776843 /nfs/dbraw/zinc/77/68/43/892776843.db2.gz JSOGKRGPSSHTTE-VHSXEESVSA-N 1 2 298.343 -2.091 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CC[C@@H]1CNC(=O)CN1CCOCC1=O ZINC001483657745 892776850 /nfs/dbraw/zinc/77/68/50/892776850.db2.gz JSOGKRGPSSHTTE-VHSXEESVSA-N 1 2 298.343 -2.091 20 0 CAADLO Cc1nnc(CC(=O)NC[C@H]2CC[N@@H+]2[C@H]2CCNC2=O)[nH]1 ZINC001483650777 892777345 /nfs/dbraw/zinc/77/73/45/892777345.db2.gz XZWMVDQXZKORFR-ZJUUUORDSA-N 1 2 292.343 -1.265 20 0 CAADLO Cc1nnc(CC(=O)NC[C@H]2CC[N@H+]2[C@H]2CCNC2=O)[nH]1 ZINC001483650777 892777349 /nfs/dbraw/zinc/77/73/49/892777349.db2.gz XZWMVDQXZKORFR-ZJUUUORDSA-N 1 2 292.343 -1.265 20 0 CAADLO CNC(=O)NCC(=O)NC[C@@H]1CC[N@@H+]1[C@H](C)C(=O)N(C)C ZINC001483656369 892778239 /nfs/dbraw/zinc/77/82/39/892778239.db2.gz NWGYCGLRMQEYIJ-ZJUUUORDSA-N 1 2 299.375 -1.417 20 0 CAADLO CNC(=O)NCC(=O)NC[C@@H]1CC[N@H+]1[C@H](C)C(=O)N(C)C ZINC001483656369 892778251 /nfs/dbraw/zinc/77/82/51/892778251.db2.gz NWGYCGLRMQEYIJ-ZJUUUORDSA-N 1 2 299.375 -1.417 20 0 CAADLO NC(=O)NCCC(=O)NC[C@@H]1CC[N@@H+]1[C@@H]1CCCNC1=O ZINC001483703006 892781918 /nfs/dbraw/zinc/78/19/18/892781918.db2.gz RQKAWAZILFRDKR-VHSXEESVSA-N 1 2 297.359 -1.486 20 0 CAADLO NC(=O)NCCC(=O)NC[C@@H]1CC[N@H+]1[C@@H]1CCCNC1=O ZINC001483703006 892781924 /nfs/dbraw/zinc/78/19/24/892781924.db2.gz RQKAWAZILFRDKR-VHSXEESVSA-N 1 2 297.359 -1.486 20 0 CAADLO COC[C@H](O)C[N@@H+]1CC[C@H]1CNC(=O)c1nnc[nH]1 ZINC001483687111 892782376 /nfs/dbraw/zinc/78/23/76/892782376.db2.gz ATXLVOLPAYFKHR-DTWKUNHWSA-N 1 2 269.305 -1.384 20 0 CAADLO COC[C@H](O)C[N@H+]1CC[C@H]1CNC(=O)c1nnc[nH]1 ZINC001483687111 892782390 /nfs/dbraw/zinc/78/23/90/892782390.db2.gz ATXLVOLPAYFKHR-DTWKUNHWSA-N 1 2 269.305 -1.384 20 0 CAADLO COC[C@H](O)C[N@@H+]1CC[C@H]1CNC(=O)c1ncn[nH]1 ZINC001483687111 892782406 /nfs/dbraw/zinc/78/24/06/892782406.db2.gz ATXLVOLPAYFKHR-DTWKUNHWSA-N 1 2 269.305 -1.384 20 0 CAADLO COC[C@H](O)C[N@H+]1CC[C@H]1CNC(=O)c1ncn[nH]1 ZINC001483687111 892782429 /nfs/dbraw/zinc/78/24/29/892782429.db2.gz ATXLVOLPAYFKHR-DTWKUNHWSA-N 1 2 269.305 -1.384 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+]1CC[C@@H]1CNC(=O)C1(C(=O)NC)CC1 ZINC001483688368 892782626 /nfs/dbraw/zinc/78/26/26/892782626.db2.gz OQNIYKZEAIGYDG-VHSXEESVSA-N 1 2 296.371 -1.162 20 0 CAADLO CNC(=O)[C@H](C)[N@H+]1CC[C@@H]1CNC(=O)C1(C(=O)NC)CC1 ZINC001483688368 892782639 /nfs/dbraw/zinc/78/26/39/892782639.db2.gz OQNIYKZEAIGYDG-VHSXEESVSA-N 1 2 296.371 -1.162 20 0 CAADLO Cc1[nH+]c[nH]c1CC(=O)NC[C@H]1CCN1CC(N)=O ZINC001483696187 892782818 /nfs/dbraw/zinc/78/28/18/892782818.db2.gz HPILBBCHJYWNSN-SECBINFHSA-N 1 2 265.317 -1.064 20 0 CAADLO NC(=O)C(=O)NC[C@@H]1CC[N@H+]1CCOC[C@H]1CCCO1 ZINC001483677856 892783263 /nfs/dbraw/zinc/78/32/63/892783263.db2.gz SHILAOMXMKWSSO-WDEREUQCSA-N 1 2 285.344 -1.142 20 0 CAADLO NC(=O)C(=O)NC[C@@H]1CC[N@@H+]1CCOC[C@H]1CCCO1 ZINC001483677856 892783258 /nfs/dbraw/zinc/78/32/58/892783258.db2.gz SHILAOMXMKWSSO-WDEREUQCSA-N 1 2 285.344 -1.142 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+]1CC[C@H]1CNC(=O)C1(C(=O)NC)CC1 ZINC001483688369 892783282 /nfs/dbraw/zinc/78/32/82/892783282.db2.gz OQNIYKZEAIGYDG-ZJUUUORDSA-N 1 2 296.371 -1.162 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+]1CC[C@H]1CNC(=O)C1(C(=O)NC)CC1 ZINC001483688369 892783294 /nfs/dbraw/zinc/78/32/94/892783294.db2.gz OQNIYKZEAIGYDG-ZJUUUORDSA-N 1 2 296.371 -1.162 20 0 CAADLO COC[C@@H](O)C[N@@H+]1CC[C@@H]1CNC(=O)c1nnc[nH]1 ZINC001483687110 892783381 /nfs/dbraw/zinc/78/33/81/892783381.db2.gz ATXLVOLPAYFKHR-BDAKNGLRSA-N 1 2 269.305 -1.384 20 0 CAADLO COC[C@@H](O)C[N@H+]1CC[C@@H]1CNC(=O)c1nnc[nH]1 ZINC001483687110 892783389 /nfs/dbraw/zinc/78/33/89/892783389.db2.gz ATXLVOLPAYFKHR-BDAKNGLRSA-N 1 2 269.305 -1.384 20 0 CAADLO COC[C@@H](O)C[N@@H+]1CC[C@@H]1CNC(=O)c1ncn[nH]1 ZINC001483687110 892783396 /nfs/dbraw/zinc/78/33/96/892783396.db2.gz ATXLVOLPAYFKHR-BDAKNGLRSA-N 1 2 269.305 -1.384 20 0 CAADLO COC[C@@H](O)C[N@H+]1CC[C@@H]1CNC(=O)c1ncn[nH]1 ZINC001483687110 892783406 /nfs/dbraw/zinc/78/34/06/892783406.db2.gz ATXLVOLPAYFKHR-BDAKNGLRSA-N 1 2 269.305 -1.384 20 0 CAADLO CNC(=O)NCC(=O)NCC1([NH2+]Cc2cnon2)CC1 ZINC001483737741 892785199 /nfs/dbraw/zinc/78/51/99/892785199.db2.gz CULXXMKRERNTII-UHFFFAOYSA-N 1 2 282.304 -1.263 20 0 CAADLO Cn1nnnc1C[NH2+]C1(CNC(=O)c2ncc[nH]2)CC1 ZINC001483733547 892786630 /nfs/dbraw/zinc/78/66/30/892786630.db2.gz XWBXOEWDBRCXHA-UHFFFAOYSA-N 1 2 276.304 -1.015 20 0 CAADLO Cn1ncc(C[NH2+]C2(CNC(=O)[C@H]3C[C@H]3C(N)=O)CC2)n1 ZINC001483767685 892789003 /nfs/dbraw/zinc/78/90/03/892789003.db2.gz OCTZZXBMVDWECV-ZJUUUORDSA-N 1 2 292.343 -1.325 20 0 CAADLO COCC[NH+]1CC(N(C)C(=O)CN(C)C(=O)COC)C1 ZINC001483866406 892792005 /nfs/dbraw/zinc/79/20/05/892792005.db2.gz VTYPCHLTQRCUBB-UHFFFAOYSA-N 1 2 287.360 -1.120 20 0 CAADLO CN(C(=O)[C@H]1CC(=O)N(C)C1)C1C[NH+](CCOCCO)C1 ZINC001483866026 892793578 /nfs/dbraw/zinc/79/35/78/892793578.db2.gz KSIPZLHTPPZVOK-NSHDSACASA-N 1 2 299.371 -1.384 20 0 CAADLO CNS(=O)(=O)CC(=O)N(C)C1C[NH+](CCCO)C1 ZINC001483891859 892794983 /nfs/dbraw/zinc/79/49/83/892794983.db2.gz TVIZRDGVTAUUEN-UHFFFAOYSA-N 1 2 279.362 -1.939 20 0 CAADLO C[C@H](c1nnnn1C)[NH+]1CCC(C)(NC(=O)C(N)=O)CC1 ZINC001483973173 892795486 /nfs/dbraw/zinc/79/54/86/892795486.db2.gz UCUITDTWCWOTSJ-MRVPVSSYSA-N 1 2 295.347 -1.273 20 0 CAADLO Cn1cc(C[N@@H+]2CC[C@@](C)(NC(=O)CC(N)=O)C2)nn1 ZINC001484037017 892797249 /nfs/dbraw/zinc/79/72/49/892797249.db2.gz RVSQGGVWWPKYOE-GFCCVEGCSA-N 1 2 280.332 -1.229 20 0 CAADLO Cn1cc(C[N@H+]2CC[C@@](C)(NC(=O)CC(N)=O)C2)nn1 ZINC001484037017 892797258 /nfs/dbraw/zinc/79/72/58/892797258.db2.gz RVSQGGVWWPKYOE-GFCCVEGCSA-N 1 2 280.332 -1.229 20 0 CAADLO CO[C@@H](C)C(=O)N[C@@]1(C)CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001484031428 892797688 /nfs/dbraw/zinc/79/76/88/892797688.db2.gz DCLMCXGGGAHCRD-UFBFGSQYSA-N 1 2 286.332 -1.203 20 0 CAADLO CO[C@@H](C)C(=O)N[C@@]1(C)CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001484031428 892797700 /nfs/dbraw/zinc/79/77/00/892797700.db2.gz DCLMCXGGGAHCRD-UFBFGSQYSA-N 1 2 286.332 -1.203 20 0 CAADLO COCC(=O)NC[C@@]1(O)CC[N@H+](CCS(C)(=O)=O)C1 ZINC001484197978 892805331 /nfs/dbraw/zinc/80/53/31/892805331.db2.gz NTHRNTAMQYHCIT-NSHDSACASA-N 1 2 294.373 -1.770 20 0 CAADLO COCC(=O)NC[C@@]1(O)CC[N@@H+](CCS(C)(=O)=O)C1 ZINC001484197978 892805349 /nfs/dbraw/zinc/80/53/49/892805349.db2.gz NTHRNTAMQYHCIT-NSHDSACASA-N 1 2 294.373 -1.770 20 0 CAADLO CCCC(=O)NC[C@]1(O)CC[N@H+](Cc2nc(=O)n(C)[nH]2)C1 ZINC001484199963 892806996 /nfs/dbraw/zinc/80/69/96/892806996.db2.gz IEGPXKSYVPLDSV-CYBMUJFWSA-N 1 2 297.359 -1.039 20 0 CAADLO CCCC(=O)NC[C@]1(O)CC[N@@H+](Cc2nc(=O)n(C)[nH]2)C1 ZINC001484199963 892807016 /nfs/dbraw/zinc/80/70/16/892807016.db2.gz IEGPXKSYVPLDSV-CYBMUJFWSA-N 1 2 297.359 -1.039 20 0 CAADLO Cc1nonc1C(=O)NC[C@]1(O)CC[N@H+](CC(N)=O)C1 ZINC001484254061 892821764 /nfs/dbraw/zinc/82/17/64/892821764.db2.gz FBXYCPWSWQTSLO-LLVKDONJSA-N 1 2 283.288 -1.970 20 0 CAADLO Cc1nonc1C(=O)NC[C@]1(O)CC[N@@H+](CC(N)=O)C1 ZINC001484254061 892821783 /nfs/dbraw/zinc/82/17/83/892821783.db2.gz FBXYCPWSWQTSLO-LLVKDONJSA-N 1 2 283.288 -1.970 20 0 CAADLO CCO[C@@H](C)C(=O)NCC1(O)C[NH+](CCCO)C1 ZINC001484260817 892827862 /nfs/dbraw/zinc/82/78/62/892827862.db2.gz SMFLGRSMQQOYMT-JTQLQIEISA-N 1 2 260.334 -1.043 20 0 CAADLO COC[C@H](C)[NH+]1CC(O)(CNC(=O)CNC(=O)C2CC2)C1 ZINC001484260911 892827696 /nfs/dbraw/zinc/82/76/96/892827696.db2.gz CSBZWMWGOXMJDL-JTQLQIEISA-N 1 2 299.371 -1.290 20 0 CAADLO COC(=O)NCC(=O)NCC1(O)C[NH+](CCCF)C1 ZINC001484261058 892827899 /nfs/dbraw/zinc/82/78/99/892827899.db2.gz FGYWWPPLUZMTBC-UHFFFAOYSA-N 1 2 277.296 -1.135 20 0 CAADLO CC[NH+]1CC(O)(CNC(=O)CN2CCCC2=O)C1 ZINC001484257024 892829361 /nfs/dbraw/zinc/82/93/61/892829361.db2.gz FBQGKQCLSPFXCY-UHFFFAOYSA-N 1 2 255.318 -1.208 20 0 CAADLO CCOCCC[NH+]1CC(O)(CNC(=O)Cn2cnnn2)C1 ZINC001484257524 892830634 /nfs/dbraw/zinc/83/06/34/892830634.db2.gz NGFPKSJPHCFYNU-UHFFFAOYSA-N 1 2 298.347 -1.737 20 0 CAADLO O=C(NCC1(O)C[NH+](CCCO)C1)c1cn[nH]c1 ZINC001484261305 892830716 /nfs/dbraw/zinc/83/07/16/892830716.db2.gz JIBAVWRZAZKPLG-UHFFFAOYSA-N 1 2 254.290 -1.431 20 0 CAADLO Cn1c[nH+]cc1CN1CC(O)(CNC(=O)CC(N)=O)C1 ZINC001484265627 892832638 /nfs/dbraw/zinc/83/26/38/892832638.db2.gz SMOUQFATQUJQKC-UHFFFAOYSA-N 1 2 281.316 -2.042 20 0 CAADLO CC[C@@H](OC)C(=O)NCC1(O)C[NH+](C[C@H](O)COC)C1 ZINC001484264634 892834193 /nfs/dbraw/zinc/83/41/93/892834193.db2.gz SZTLPFXWMJCLPG-WDEREUQCSA-N 1 2 290.360 -1.418 20 0 CAADLO CO[C@@H](C)C[NH+]1CC(O)(CNC(=O)[C@@H]2COC(=O)N2)C1 ZINC001484271706 892835085 /nfs/dbraw/zinc/83/50/85/892835085.db2.gz TUFFIQZWNMFPHT-IUCAKERBSA-N 1 2 287.316 -1.707 20 0 CAADLO CNC(=O)NCCC(=O)NCC1(O)C[NH+](CCCO)C1 ZINC001484270668 892835312 /nfs/dbraw/zinc/83/53/12/892835312.db2.gz UEOVDZHTNDFDFZ-UHFFFAOYSA-N 1 2 288.348 -2.149 20 0 CAADLO C[C@H](O)C[NH+]1CC(O)(CNC(=O)c2cnc[nH]c2=O)C1 ZINC001484279127 892839896 /nfs/dbraw/zinc/83/98/96/892839896.db2.gz DVJKSOSTQBNXRD-QMMMGPOBSA-N 1 2 282.300 -1.661 20 0 CAADLO C[C@@H](O)C[NH+]1CC(O)(CNC(=O)[C@@H]2CCCNC2=O)C1 ZINC001484278534 892840102 /nfs/dbraw/zinc/84/01/02/892840102.db2.gz XRJSTYBHZIEJRB-NXEZZACHSA-N 1 2 285.344 -1.944 20 0 CAADLO C[C@H](O)C[NH+]1CC(O)(CNC(=O)[C@H]2CCCNC2=O)C1 ZINC001484278536 892840220 /nfs/dbraw/zinc/84/02/20/892840220.db2.gz XRJSTYBHZIEJRB-UWVGGRQHSA-N 1 2 285.344 -1.944 20 0 CAADLO C[C@@H](O)C[NH+]1CC(O)(CNC(=O)c2cnc[nH]c2=O)C1 ZINC001484279124 892840325 /nfs/dbraw/zinc/84/03/25/892840325.db2.gz DVJKSOSTQBNXRD-MRVPVSSYSA-N 1 2 282.300 -1.661 20 0 CAADLO C[C@@H](O)C[NH+]1CC(O)(CNC(=O)[C@H]2CCCNC2=O)C1 ZINC001484278540 892840610 /nfs/dbraw/zinc/84/06/10/892840610.db2.gz XRJSTYBHZIEJRB-ZJUUUORDSA-N 1 2 285.344 -1.944 20 0 CAADLO C[C@@H](O)C[NH+]1CC(O)(CNC(=O)[C@H]2CCN(C)C(=O)C2)C1 ZINC001484280148 892841192 /nfs/dbraw/zinc/84/11/92/892841192.db2.gz QLFVDIJSQZLEEZ-MNOVXSKESA-N 1 2 299.371 -1.602 20 0 CAADLO C[C@H](O)C[NH+]1CC(O)(CNC(=O)[C@@H]2CCCNC2=O)C1 ZINC001484278538 892841445 /nfs/dbraw/zinc/84/14/45/892841445.db2.gz XRJSTYBHZIEJRB-VHSXEESVSA-N 1 2 285.344 -1.944 20 0 CAADLO CCN1C[C@H](C(=O)NCC2(O)C[NH+](C[C@H](C)O)C2)CC1=O ZINC001484276395 892841676 /nfs/dbraw/zinc/84/16/76/892841676.db2.gz SAVPHMRAMFGZKI-WDEREUQCSA-N 1 2 299.371 -1.602 20 0 CAADLO COc1cnc(C(=O)NCC2(O)C[NH+](C[C@@H](C)O)C2)nc1 ZINC001484283077 892841731 /nfs/dbraw/zinc/84/17/31/892841731.db2.gz FBXFBXKHWTZWLI-SECBINFHSA-N 1 2 296.327 -1.358 20 0 CAADLO COC[C@H](C)[NH+]1CC(O)(CNC(=O)c2cn[nH]c(=O)c2)C1 ZINC001484278371 892841830 /nfs/dbraw/zinc/84/18/30/892841830.db2.gz VEFJSSFAQFVKKG-VIFPVBQESA-N 1 2 296.327 -1.006 20 0 CAADLO C[C@@]1(C(=O)NCC2(O)C[NH+](CCCO)C2)CCNC(=O)C1 ZINC001484280055 892841977 /nfs/dbraw/zinc/84/19/77/892841977.db2.gz UULFIDBXKBQXGA-CYBMUJFWSA-N 1 2 299.371 -1.552 20 0 CAADLO CC[NH+]1CC(O)(CNC(=O)CN2CCNC(=O)C2)C1 ZINC001484288171 892842765 /nfs/dbraw/zinc/84/27/65/892842765.db2.gz MTBONSXWCFPWOH-UHFFFAOYSA-N 1 2 270.333 -2.399 20 0 CAADLO CO[C@H](C)C[NH+]1CC(O)(CNC(=O)C2(C(N)=O)CC2)C1 ZINC001484292158 892842891 /nfs/dbraw/zinc/84/28/91/892842891.db2.gz OXQKKINWWVKXOJ-SECBINFHSA-N 1 2 285.344 -1.550 20 0 CAADLO Cc1n[nH]cc1C(=O)NCC1(O)C[NH+](C[C@H](C)O)C1 ZINC001484287606 892843273 /nfs/dbraw/zinc/84/32/73/892843273.db2.gz SNNLAMIUBZPFIK-QMMMGPOBSA-N 1 2 268.317 -1.125 20 0 CAADLO NC(=O)C(=O)NCC1(O)C[NH+](CCCN2CCCC2=O)C1 ZINC001484293951 892843738 /nfs/dbraw/zinc/84/37/38/892843738.db2.gz TZGGADHZEOSIEG-UHFFFAOYSA-N 1 2 298.343 -2.353 20 0 CAADLO C[C@H](O)C[NH+]1CC(O)(CNC(=O)[C@]2(C)CCC(=O)NC2)C1 ZINC001484290199 892843944 /nfs/dbraw/zinc/84/39/44/892843944.db2.gz BYUBXPNKEYUSTF-GXFFZTMASA-N 1 2 299.371 -1.554 20 0 CAADLO NC(=O)C1(C(=O)NCC2(O)C[NH+](CCCF)C2)CC1 ZINC001484292228 892844117 /nfs/dbraw/zinc/84/41/17/892844117.db2.gz QYIZLRBTTVYJJP-UHFFFAOYSA-N 1 2 273.308 -1.226 20 0 CAADLO CCOCC[NH+]1CC(O)(CNC(=O)[C@H](C)CC(N)=O)C1 ZINC001484288264 892844172 /nfs/dbraw/zinc/84/41/72/892844172.db2.gz QFLVHCAIRDUIKZ-SNVBAGLBSA-N 1 2 287.360 -1.303 20 0 CAADLO CC[NH+]1CC(O)(CNC(=O)c2c[nH]c(=O)cn2)C1 ZINC001484291079 892845167 /nfs/dbraw/zinc/84/51/67/892845167.db2.gz GTTLZGTWOLBBGS-UHFFFAOYSA-N 1 2 252.274 -1.434 20 0 CAADLO COC[C@H](C)[NH+]1CC(O)(CNC(=O)c2cn(C)c(=O)[nH]2)C1 ZINC001484294152 892845502 /nfs/dbraw/zinc/84/55/02/892845502.db2.gz XCQYMFKRUZBPLW-VIFPVBQESA-N 1 2 298.343 -1.063 20 0 CAADLO O=C(NCC1(O)C[NH+](CCCO)C1)[C@H]1CNC(=O)N1 ZINC001484291477 892845609 /nfs/dbraw/zinc/84/56/09/892845609.db2.gz ANZASQNLSGFZCJ-MRVPVSSYSA-N 1 2 272.305 -2.787 20 0 CAADLO CCOCC[NH+]1CC(O)(CNC(=O)c2c[nH]c(=O)cn2)C1 ZINC001484290871 892846168 /nfs/dbraw/zinc/84/61/68/892846168.db2.gz AEWZUUVGMFDPLW-UHFFFAOYSA-N 1 2 296.327 -1.417 20 0 CAADLO C[C@@H](O)C[NH+]1CC(O)(CNC(=O)CCc2ncccn2)C1 ZINC001484300507 892847142 /nfs/dbraw/zinc/84/71/42/892847142.db2.gz CYOCGWUMFLMEFP-LLVKDONJSA-N 1 2 294.355 -1.047 20 0 CAADLO CC[NH+]1CC(O)(CNC(=O)CN2CCC(=O)NC2=O)C1 ZINC001484304258 892847277 /nfs/dbraw/zinc/84/72/77/892847277.db2.gz ZKDXAKDYRCCCQQ-UHFFFAOYSA-N 1 2 284.316 -1.889 20 0 CAADLO CC[NH+]1CC(O)(CNC(=O)CN2CC(=O)N(C)C2=O)C1 ZINC001484305711 892847978 /nfs/dbraw/zinc/84/79/78/892847978.db2.gz KTAZCAWWFPOWTE-UHFFFAOYSA-N 1 2 284.316 -1.937 20 0 CAADLO O=C(Cc1c[nH]c[nH+]1)NCC1(O)CN(Cc2cnon2)C1 ZINC001484297313 892848385 /nfs/dbraw/zinc/84/83/85/892848385.db2.gz HPUGWOMPJYXGQD-UHFFFAOYSA-N 1 2 292.299 -1.302 20 0 CAADLO NC(=O)CN1CC(O)(CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001484298382 892850313 /nfs/dbraw/zinc/85/03/13/892850313.db2.gz WMGRELGPSYKMTL-UHFFFAOYSA-N 1 2 267.289 -2.400 20 0 CAADLO CC(=O)N1CCC[C@@H]1C(=O)NCC1(O)C[NH+](CCCO)C1 ZINC001484312658 892851834 /nfs/dbraw/zinc/85/18/34/892851834.db2.gz KKGAUKIXIHPGFJ-GFCCVEGCSA-N 1 2 299.371 -1.457 20 0 CAADLO C[C@@H](O)C[NH+]1CC(O)(CNC(=O)c2ccn(C)n2)C1 ZINC001484309970 892852603 /nfs/dbraw/zinc/85/26/03/892852603.db2.gz SAFZKHHWIKLDOS-SECBINFHSA-N 1 2 268.317 -1.423 20 0 CAADLO Cn1nc(C(=O)NCC2(O)C[NH+](CCCO)C2)ccc1=O ZINC001484309331 892853232 /nfs/dbraw/zinc/85/32/32/892853232.db2.gz XHLSUDVPLXWSGQ-UHFFFAOYSA-N 1 2 296.327 -2.061 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@](CO)(NC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001484443043 892856429 /nfs/dbraw/zinc/85/64/29/892856429.db2.gz CQTSCKUWZYBWMM-ZDMBXUJBSA-N 1 2 298.343 -2.464 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@](CO)(NC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001484443043 892856439 /nfs/dbraw/zinc/85/64/39/892856439.db2.gz CQTSCKUWZYBWMM-ZDMBXUJBSA-N 1 2 298.343 -2.464 20 0 CAADLO COC[C@H](C)C(=O)N[C@]1(CO)CCC[N@H+](CC(N)=O)C1 ZINC001484430683 892856958 /nfs/dbraw/zinc/85/69/58/892856958.db2.gz KIVIKPIIDCZJHN-GXFFZTMASA-N 1 2 287.360 -1.303 20 0 CAADLO COC[C@H](C)C(=O)N[C@]1(CO)CCC[N@@H+](CC(N)=O)C1 ZINC001484430683 892856972 /nfs/dbraw/zinc/85/69/72/892856972.db2.gz KIVIKPIIDCZJHN-GXFFZTMASA-N 1 2 287.360 -1.303 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@@](CO)(NC(=O)[C@H]2CCOC2)C1 ZINC001484429411 892858128 /nfs/dbraw/zinc/85/81/28/892858128.db2.gz AUHBXYURBBJTJO-GXFFZTMASA-N 1 2 285.344 -1.549 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@@](CO)(NC(=O)[C@H]2CCOC2)C1 ZINC001484429411 892858138 /nfs/dbraw/zinc/85/81/38/892858138.db2.gz AUHBXYURBBJTJO-GXFFZTMASA-N 1 2 285.344 -1.549 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CCC[C@@](CO)(NC(=O)c2ccn[nH]2)C1 ZINC001484426946 892859055 /nfs/dbraw/zinc/85/90/55/892859055.db2.gz ADECUAOEAZJDOZ-TVQRCGJNSA-N 1 2 295.343 -1.160 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CCC[C@@](CO)(NC(=O)c2ccn[nH]2)C1 ZINC001484426946 892859069 /nfs/dbraw/zinc/85/90/69/892859069.db2.gz ADECUAOEAZJDOZ-TVQRCGJNSA-N 1 2 295.343 -1.160 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@@](CO)(NC(=O)[C@@H]2CCOC2)C1 ZINC001484429415 892859224 /nfs/dbraw/zinc/85/92/24/892859224.db2.gz AUHBXYURBBJTJO-ZWNOBZJWSA-N 1 2 285.344 -1.549 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@@](CO)(NC(=O)[C@@H]2CCOC2)C1 ZINC001484429415 892859237 /nfs/dbraw/zinc/85/92/37/892859237.db2.gz AUHBXYURBBJTJO-ZWNOBZJWSA-N 1 2 285.344 -1.549 20 0 CAADLO CC(C)=CC(=O)N(CCO)CC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001484476681 892862081 /nfs/dbraw/zinc/86/20/81/892862081.db2.gz KLUVEBFELPAMHR-UHFFFAOYSA-N 1 2 297.359 -1.015 20 0 CAADLO C[C@@H]([NH2+]CCN(CCO)C(=O)C(N)=O)c1ncccn1 ZINC001484493744 892870627 /nfs/dbraw/zinc/87/06/27/892870627.db2.gz VZDZVBUXWZWQBA-SECBINFHSA-N 1 2 281.316 -1.567 20 0 CAADLO NC(=O)C[NH2+]CC[C@@H]1CCN(C(=O)Cc2ncn[nH]2)C1 ZINC001484548737 892874885 /nfs/dbraw/zinc/87/48/85/892874885.db2.gz YENBHEZTPBDRMZ-SECBINFHSA-N 1 2 280.332 -1.339 20 0 CAADLO COCCC[N@@H+]1CCOC[C@@H]1CNC(=O)CNC(C)=O ZINC001484583876 892876369 /nfs/dbraw/zinc/87/63/69/892876369.db2.gz GLVUAXARLOKCJM-LBPRGKRZSA-N 1 2 287.360 -1.024 20 0 CAADLO COCCC[N@H+]1CCOC[C@@H]1CNC(=O)CNC(C)=O ZINC001484583876 892876389 /nfs/dbraw/zinc/87/63/89/892876389.db2.gz GLVUAXARLOKCJM-LBPRGKRZSA-N 1 2 287.360 -1.024 20 0 CAADLO CNC(=O)CN1CCOC[C@@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001484610156 892880852 /nfs/dbraw/zinc/88/08/52/892880852.db2.gz OJZLYYPWIIOQJP-NSHDSACASA-N 1 2 295.343 -1.554 20 0 CAADLO COCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)CC(N)=O)O2 ZINC001484783409 892887451 /nfs/dbraw/zinc/88/74/51/892887451.db2.gz IAKWVRSDBWLJOJ-JTQLQIEISA-N 1 2 285.344 -1.142 20 0 CAADLO CC(=O)N(C)CC(=O)N[C@@H]1COC2(C[NH+](C[C@@H](C)O)C2)C1 ZINC001484790285 892887520 /nfs/dbraw/zinc/88/75/20/892887520.db2.gz FQIDUQYDYQUSRP-PWSUYJOCSA-N 1 2 299.371 -1.195 20 0 CAADLO O=C(Cn1cncn1)NC[C@@H]1CCC2(C[NH+](CCO)C2)O1 ZINC001484792149 892889434 /nfs/dbraw/zinc/88/94/34/892889434.db2.gz WSHFPLGMLJRCJI-NSHDSACASA-N 1 2 295.343 -1.380 20 0 CAADLO CC(=O)N(C)CC(=O)N[C@H]1COC2(C[NH+](C[C@@H](C)O)C2)C1 ZINC001484790286 892889642 /nfs/dbraw/zinc/88/96/42/892889642.db2.gz FQIDUQYDYQUSRP-ZYHUDNBSSA-N 1 2 299.371 -1.195 20 0 CAADLO COCC(=O)N[C@H]1COC2(C[NH+](C[C@@H](C)O)C2)C1 ZINC001484788900 892891224 /nfs/dbraw/zinc/89/12/24/892891224.db2.gz HZUXPGSOHYMIQN-NXEZZACHSA-N 1 2 258.318 -1.027 20 0 CAADLO CCC(=O)N[C@@H](C)C(=O)N[C@@H]1COC2(C[NH+](CCO)C2)C1 ZINC001484798510 892892452 /nfs/dbraw/zinc/89/24/52/892892452.db2.gz YSRUIJVHEBQAMN-QWRGUYRKSA-N 1 2 299.371 -1.147 20 0 CAADLO NC(=O)NCCC(=O)N[C@H]1COC2(C[NH+](CCO)C2)C1 ZINC001484803312 892892821 /nfs/dbraw/zinc/89/28/21/892892821.db2.gz BIHITJDIXKFJTO-SECBINFHSA-N 1 2 286.332 -2.003 20 0 CAADLO NC(=O)NCCC(=O)N[C@@H]1COC2(C[NH+](CCO)C2)C1 ZINC001484803315 892894130 /nfs/dbraw/zinc/89/41/30/892894130.db2.gz BIHITJDIXKFJTO-VIFPVBQESA-N 1 2 286.332 -2.003 20 0 CAADLO CC[NH+]1CC2(C1)C[C@@H](NC(=O)CS(=O)(=O)NC)CO2 ZINC001484804006 892894616 /nfs/dbraw/zinc/89/46/16/892894616.db2.gz HPEYDZMDAKNBJT-SECBINFHSA-N 1 2 291.373 -1.485 20 0 CAADLO CO[C@H](C)C(=O)NC1(CO)CC[NH+](CC(N)=O)CC1 ZINC001485014452 892901587 /nfs/dbraw/zinc/90/15/87/892901587.db2.gz FKVNALQSTZLHCC-SECBINFHSA-N 1 2 273.333 -1.550 20 0 CAADLO NC(=O)C[NH+]1CCC(CO)(NC(=O)Cc2nc[nH]n2)CC1 ZINC001485027985 892902917 /nfs/dbraw/zinc/90/29/17/892902917.db2.gz IIHAEFRUTBFQDH-UHFFFAOYSA-N 1 2 296.331 -2.224 20 0 CAADLO CO[C@@H](C)C(=O)NC1(CO)CC[NH+](CC(N)=O)CC1 ZINC001485014454 892903272 /nfs/dbraw/zinc/90/32/72/892903272.db2.gz FKVNALQSTZLHCC-VIFPVBQESA-N 1 2 273.333 -1.550 20 0 CAADLO COC(=O)NCC(=O)N[C@@H](C)[C@H](C)[NH2+]Cc1nnn(C)n1 ZINC001485126909 892906845 /nfs/dbraw/zinc/90/68/45/892906845.db2.gz QOAOWGAXTHGLKL-YUMQZZPRSA-N 1 2 299.335 -1.451 20 0 CAADLO Cc1nnc(C[NH2+][C@@H](C)[C@H](C)NC(=O)C(N)=O)o1 ZINC001485186178 892911316 /nfs/dbraw/zinc/91/13/16/892911316.db2.gz CGPBVUPJINWISZ-WDSKDSINSA-N 1 2 255.278 -1.154 20 0 CAADLO Cc1nnc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)C(N)=O)o1 ZINC001485186169 892911560 /nfs/dbraw/zinc/91/15/60/892911560.db2.gz CGPBVUPJINWISZ-NTSWFWBYSA-N 1 2 255.278 -1.154 20 0 CAADLO COCC(=O)NC[C@H](C)[N@H+](C)Cc1nc(=O)n(C)[nH]1 ZINC001485267499 892913764 /nfs/dbraw/zinc/91/37/64/892913764.db2.gz PYTNBYXFIIHQKV-QMMMGPOBSA-N 1 2 271.321 -1.309 20 0 CAADLO COCC(=O)NC[C@H](C)[N@@H+](C)Cc1nc(=O)n(C)[nH]1 ZINC001485267499 892913771 /nfs/dbraw/zinc/91/37/71/892913771.db2.gz PYTNBYXFIIHQKV-QMMMGPOBSA-N 1 2 271.321 -1.309 20 0 CAADLO C[C@H](NC(=O)C(N)=O)[C@H](C)[NH2+]Cc1ncccn1 ZINC001485191130 892914294 /nfs/dbraw/zinc/91/42/94/892914294.db2.gz QUFGGCQBHGFYHI-YUMQZZPRSA-N 1 2 251.290 -1.055 20 0 CAADLO Cc1nc(CC(=O)NC[C@H](C)[N@H+](C)[C@@H](C)C(N)=O)n[nH]1 ZINC001485304300 892916821 /nfs/dbraw/zinc/91/68/21/892916821.db2.gz OYXLDNLOCFVAQA-YUMQZZPRSA-N 1 2 282.348 -1.034 20 0 CAADLO Cc1nc(CC(=O)NC[C@H](C)[N@@H+](C)[C@@H](C)C(N)=O)n[nH]1 ZINC001485304300 892916828 /nfs/dbraw/zinc/91/68/28/892916828.db2.gz OYXLDNLOCFVAQA-YUMQZZPRSA-N 1 2 282.348 -1.034 20 0 CAADLO C[C@H](CNC(=O)c1cn[nH]n1)[N@H+](C)[C@@H](C)C(N)=O ZINC001485322313 892919176 /nfs/dbraw/zinc/91/91/76/892919176.db2.gz ADKBVGAYHQLVEY-RQJHMYQMSA-N 1 2 254.294 -1.271 20 0 CAADLO C[C@H](CNC(=O)c1cn[nH]n1)[N@@H+](C)[C@@H](C)C(N)=O ZINC001485322313 892919183 /nfs/dbraw/zinc/91/91/83/892919183.db2.gz ADKBVGAYHQLVEY-RQJHMYQMSA-N 1 2 254.294 -1.271 20 0 CAADLO C[C@H](CNC(=O)c1cnn[nH]1)[N@H+](C)[C@@H](C)C(N)=O ZINC001485322313 892919193 /nfs/dbraw/zinc/91/91/93/892919193.db2.gz ADKBVGAYHQLVEY-RQJHMYQMSA-N 1 2 254.294 -1.271 20 0 CAADLO C[C@H](CNC(=O)c1cnn[nH]1)[N@@H+](C)[C@@H](C)C(N)=O ZINC001485322313 892919204 /nfs/dbraw/zinc/91/92/04/892919204.db2.gz ADKBVGAYHQLVEY-RQJHMYQMSA-N 1 2 254.294 -1.271 20 0 CAADLO Cc1nc(CC(=O)NC[C@H](C)[N@H+](C)[C@H](C)C(N)=O)n[nH]1 ZINC001485304298 892919326 /nfs/dbraw/zinc/91/93/26/892919326.db2.gz OYXLDNLOCFVAQA-JGVFFNPUSA-N 1 2 282.348 -1.034 20 0 CAADLO Cc1nc(CC(=O)NC[C@H](C)[N@@H+](C)[C@H](C)C(N)=O)n[nH]1 ZINC001485304298 892919338 /nfs/dbraw/zinc/91/93/38/892919338.db2.gz OYXLDNLOCFVAQA-JGVFFNPUSA-N 1 2 282.348 -1.034 20 0 CAADLO COc1nccc(C[N@H+](C)[C@H](C)CNC(=O)C(N)=O)n1 ZINC001485346048 892922058 /nfs/dbraw/zinc/92/20/58/892922058.db2.gz RMPODYGTGFNTMF-MRVPVSSYSA-N 1 2 281.316 -1.093 20 0 CAADLO COc1nccc(C[N@@H+](C)[C@H](C)CNC(=O)C(N)=O)n1 ZINC001485346048 892922060 /nfs/dbraw/zinc/92/20/60/892922060.db2.gz RMPODYGTGFNTMF-MRVPVSSYSA-N 1 2 281.316 -1.093 20 0 CAADLO C[C@H](CNC(=O)C(N)=O)[N@H+](C)CC(=O)N[C@@H](C)C1CC1 ZINC001485345699 892923814 /nfs/dbraw/zinc/92/38/14/892923814.db2.gz OLHHITLNNHVCGP-BDAKNGLRSA-N 1 2 284.360 -1.177 20 0 CAADLO C[C@H](CNC(=O)C(N)=O)[N@@H+](C)CC(=O)N[C@@H](C)C1CC1 ZINC001485345699 892923821 /nfs/dbraw/zinc/92/38/21/892923821.db2.gz OLHHITLNNHVCGP-BDAKNGLRSA-N 1 2 284.360 -1.177 20 0 CAADLO C[C@@H](CNC(=O)C(N)=O)[N@H+](C)CC(=O)NCC1CC1 ZINC001485345870 892923893 /nfs/dbraw/zinc/92/38/93/892923893.db2.gz PTKMREVIMRRAOT-QMMMGPOBSA-N 1 2 270.333 -1.566 20 0 CAADLO C[C@@H](CNC(=O)C(N)=O)[N@@H+](C)CC(=O)NCC1CC1 ZINC001485345870 892923900 /nfs/dbraw/zinc/92/39/00/892923900.db2.gz PTKMREVIMRRAOT-QMMMGPOBSA-N 1 2 270.333 -1.566 20 0 CAADLO COc1nccc(C[N@H+](C)[C@@H](C)CNC(=O)C(N)=O)n1 ZINC001485346069 892925023 /nfs/dbraw/zinc/92/50/23/892925023.db2.gz RMPODYGTGFNTMF-QMMMGPOBSA-N 1 2 281.316 -1.093 20 0 CAADLO COc1nccc(C[N@@H+](C)[C@@H](C)CNC(=O)C(N)=O)n1 ZINC001485346069 892925033 /nfs/dbraw/zinc/92/50/33/892925033.db2.gz RMPODYGTGFNTMF-QMMMGPOBSA-N 1 2 281.316 -1.093 20 0 CAADLO C[C@H](O)C[NH+]1CC(CCO)(NC(=O)[C@H](C)n2cncn2)C1 ZINC001485404406 892927143 /nfs/dbraw/zinc/92/71/43/892927143.db2.gz XMOHOWKUCVVEHH-QWRGUYRKSA-N 1 2 297.359 -1.227 20 0 CAADLO C[C@H](C(=O)NC1(CCO)C[NH+](C[C@H](C)O)C1)n1cncn1 ZINC001485404407 892927337 /nfs/dbraw/zinc/92/73/37/892927337.db2.gz XMOHOWKUCVVEHH-WDEREUQCSA-N 1 2 297.359 -1.227 20 0 CAADLO Cn1cc(C(=O)NC2(CCO)C[NH+](CCO)C2)[nH]c1=O ZINC001485414828 892927504 /nfs/dbraw/zinc/92/75/04/892927504.db2.gz CJMQEFADZOIUBX-UHFFFAOYSA-N 1 2 284.316 -1.715 20 0 CAADLO CO[C@H](C)C[NH+]1CC(CCO)(NC(=O)Cn2cnnn2)C1 ZINC001485397354 892927822 /nfs/dbraw/zinc/92/78/22/892927822.db2.gz QGAZZDJSDDYBDP-SNVBAGLBSA-N 1 2 298.347 -1.739 20 0 CAADLO O=C(Cn1cccn1)NC1(CCO)C[NH+](CCCO)C1 ZINC001485397163 892928046 /nfs/dbraw/zinc/92/80/46/892928046.db2.gz ROZKMIYNXNIDNT-UHFFFAOYSA-N 1 2 282.344 -1.182 20 0 CAADLO COC(=O)NCC(=O)NC1(CCO)C[NH+](CCO)C1 ZINC001485398739 892928070 /nfs/dbraw/zinc/92/80/70/892928070.db2.gz GDDIBXNTHHLGAX-UHFFFAOYSA-N 1 2 275.305 -2.112 20 0 CAADLO CN1C(=O)CC[C@H]1C(=O)NC1(CCO)C[NH+](CCO)C1 ZINC001485413519 892928611 /nfs/dbraw/zinc/92/86/11/892928611.db2.gz MXHRKACDPMFXBA-JTQLQIEISA-N 1 2 285.344 -1.848 20 0 CAADLO CO[C@@H](C)C(=O)NC1(CCO)C[NH+](CCCO)C1 ZINC001485398745 892928870 /nfs/dbraw/zinc/92/88/70/892928870.db2.gz GQFDZXSXMQZMQC-JTQLQIEISA-N 1 2 260.334 -1.043 20 0 CAADLO O=C(Cc1cc[nH]n1)NC1(CCO)C[NH+](CCCO)C1 ZINC001485401327 892929006 /nfs/dbraw/zinc/92/90/06/892929006.db2.gz MVNOKJSOOQKENI-UHFFFAOYSA-N 1 2 282.344 -1.112 20 0 CAADLO COC[C@H](O)C[NH+]1CC(CCO)(NC(=O)c2ncc[nH]2)C1 ZINC001485406108 892929058 /nfs/dbraw/zinc/92/90/58/892929058.db2.gz VXMDVBGNOPABNZ-SNVBAGLBSA-N 1 2 298.343 -1.416 20 0 CAADLO CC[NH+]1CC(CCO)(NC(=O)CN2CCN(C)C(=O)C2)C1 ZINC001485410756 892929175 /nfs/dbraw/zinc/92/91/75/892929175.db2.gz LQUMAQXPYMNPTE-UHFFFAOYSA-N 1 2 298.387 -1.667 20 0 CAADLO CC[NH+]1CC(CCO)(NC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001485425591 892930354 /nfs/dbraw/zinc/93/03/54/892930354.db2.gz NUQWPCNIJFKOOB-UHFFFAOYSA-N 1 2 296.331 -2.050 20 0 CAADLO CC(C)OCCC[NH+]1CC(CCO)(NC(=O)C(N)=O)C1 ZINC001485415558 892930862 /nfs/dbraw/zinc/93/08/62/892930862.db2.gz URZAOOJZIVUANT-UHFFFAOYSA-N 1 2 287.360 -1.160 20 0 CAADLO COCC[NH+]1CC(CCO)(NC(=O)[C@]2(C)CCC(=O)N2)C1 ZINC001485416322 892931297 /nfs/dbraw/zinc/93/12/97/892931297.db2.gz CQJGMELGWPWDBL-ZDUSSCGKSA-N 1 2 299.371 -1.146 20 0 CAADLO C[C@H](NC(=O)CN1CCCC1=O)C1C[NH+](CC(N)=O)C1 ZINC001485493912 892931534 /nfs/dbraw/zinc/93/15/34/892931534.db2.gz SPQSHFIJRLQGIA-VIFPVBQESA-N 1 2 282.344 -1.469 20 0 CAADLO CC[NH+]1CC(CCO)(NC(=O)CN2CCC(=O)NC2=O)C1 ZINC001485421718 892931471 /nfs/dbraw/zinc/93/14/71/892931471.db2.gz FOTJVHJTGBYROS-UHFFFAOYSA-N 1 2 298.343 -1.499 20 0 CAADLO C[C@H](O)C[NH+]1CC(CCO)(NC(=O)CCCC(N)=O)C1 ZINC001485425088 892931482 /nfs/dbraw/zinc/93/14/82/892931482.db2.gz AYZRCFSOSPWZNV-JTQLQIEISA-N 1 2 287.360 -1.424 20 0 CAADLO C[C@@H](O)C[NH+]1CC(CCO)(NC(=O)[C@]2(C)CCNC2=O)C1 ZINC001485419423 892931585 /nfs/dbraw/zinc/93/15/85/892931585.db2.gz ZJEPXWCYGCPNLG-ZWNOBZJWSA-N 1 2 299.371 -1.554 20 0 CAADLO CNC(=O)NC(=O)C[NH+]1CC([C@H](C)NC(=O)COC)C1 ZINC001485487236 892932746 /nfs/dbraw/zinc/93/27/46/892932746.db2.gz XAMASNGKMDPEGV-QMMMGPOBSA-N 1 2 286.332 -1.475 20 0 CAADLO CCC(=O)NCC(=O)N[C@@H](C)C1C[NH+](CC(=O)NC)C1 ZINC001485496228 892933313 /nfs/dbraw/zinc/93/33/13/892933313.db2.gz IWBPWBAKJCAVCR-VIFPVBQESA-N 1 2 284.360 -1.305 20 0 CAADLO CC1(C)C[N@H+](CC(N)=O)C[C@H]1NC(=O)CCn1ccnn1 ZINC001485567124 892934703 /nfs/dbraw/zinc/93/47/03/892934703.db2.gz IPXXLVDJXWVGNI-SNVBAGLBSA-N 1 2 294.359 -1.020 20 0 CAADLO CC1(C)C[N@@H+](CC(N)=O)C[C@H]1NC(=O)CCn1ccnn1 ZINC001485567124 892934714 /nfs/dbraw/zinc/93/47/14/892934714.db2.gz IPXXLVDJXWVGNI-SNVBAGLBSA-N 1 2 294.359 -1.020 20 0 CAADLO C[C@H](NC(=O)CCN1CCCC1=O)C1C[NH+](CC(N)=O)C1 ZINC001485536777 892935112 /nfs/dbraw/zinc/93/51/12/892935112.db2.gz BTOKSMAWHOTZFU-JTQLQIEISA-N 1 2 296.371 -1.079 20 0 CAADLO CCn1nncc1C[NH+]1CC([C@@H](C)NC(=O)C(N)=O)C1 ZINC001485522717 892935274 /nfs/dbraw/zinc/93/52/74/892935274.db2.gz NMVJPZBZCINABO-MRVPVSSYSA-N 1 2 280.332 -1.280 20 0 CAADLO C[C@H](NC(=O)C(N)=O)C1C[NH+](CC(=O)NCC2CC2)C1 ZINC001485521792 892935861 /nfs/dbraw/zinc/93/58/61/892935861.db2.gz INVHCABSNRXKJL-QMMMGPOBSA-N 1 2 282.344 -1.566 20 0 CAADLO C[C@@H](NC(=O)CCN1CCCC1=O)C1C[NH+](CC(N)=O)C1 ZINC001485536780 892936315 /nfs/dbraw/zinc/93/63/15/892936315.db2.gz BTOKSMAWHOTZFU-SNVBAGLBSA-N 1 2 296.371 -1.079 20 0 CAADLO C[C@H](NC(=O)C(N)=O)C1C[NH+](Cc2cnnn2C)C1 ZINC001485521709 892936586 /nfs/dbraw/zinc/93/65/86/892936586.db2.gz HKHOZZKIZHQZAI-ZETCQYMHSA-N 1 2 266.305 -1.763 20 0 CAADLO C[C@@H](NC(=O)C(N)=O)C1C[NH+](CC(=O)NCC2CC2)C1 ZINC001485521790 892936842 /nfs/dbraw/zinc/93/68/42/892936842.db2.gz INVHCABSNRXKJL-MRVPVSSYSA-N 1 2 282.344 -1.566 20 0 CAADLO Cc1noc([C@@H](C)[N@H+](C)CCOCCNC(=O)C(N)=O)n1 ZINC001485776463 892944542 /nfs/dbraw/zinc/94/45/42/892944542.db2.gz KHAWUETZZDXBIN-MRVPVSSYSA-N 1 2 299.331 -1.011 20 0 CAADLO Cc1noc([C@@H](C)[N@@H+](C)CCOCCNC(=O)C(N)=O)n1 ZINC001485776463 892944561 /nfs/dbraw/zinc/94/45/61/892944561.db2.gz KHAWUETZZDXBIN-MRVPVSSYSA-N 1 2 299.331 -1.011 20 0 CAADLO Cc1nnc(C[NH2+][C@H](C)CN(C)C(=O)[C@H]2CNC(=O)N2)o1 ZINC001485915826 892952226 /nfs/dbraw/zinc/95/22/26/892952226.db2.gz FCNHTDKXUNZLQI-VXNVDRBHSA-N 1 2 296.331 -1.004 20 0 CAADLO Cn1[nH]c(C[NH2+][C@H](CO)CNC(=O)C(C)(F)F)nc1=O ZINC001485967597 892954549 /nfs/dbraw/zinc/95/45/49/892954549.db2.gz STHRDRNYJIMNIN-LURJTMIESA-N 1 2 293.274 -1.670 20 0 CAADLO COCC(=O)NC[C@@H](CO)[NH2+]Cc1noc2c1COCC2 ZINC001485966089 892955327 /nfs/dbraw/zinc/95/53/27/892955327.db2.gz STQXXQYJAQZVNR-VIFPVBQESA-N 1 2 299.327 -1.040 20 0 CAADLO CCn1cc(C[NH2+][C@H](CO)CNC(=O)CNC(C)=O)nn1 ZINC001485968916 892956016 /nfs/dbraw/zinc/95/60/16/892956016.db2.gz JPJPAJMZALYIPP-NSHDSACASA-N 1 2 298.347 -1.999 20 0 CAADLO CC(=O)NCC(=O)NC[C@@H](CO)[NH2+][C@@H](C)c1ncccn1 ZINC001485969475 892958773 /nfs/dbraw/zinc/95/87/73/892958773.db2.gz MVXBCEROMQOHNC-ONGXEEELSA-N 1 2 295.343 -1.260 20 0 CAADLO CC(=O)N(C)CC(=O)NC[C@@H](CO)[NH2+]Cc1nnc(C)[nH]1 ZINC001485974957 892958909 /nfs/dbraw/zinc/95/89/09/892958909.db2.gz AVXXVGBLQPIMDP-JTQLQIEISA-N 1 2 298.347 -1.842 20 0 CAADLO CC(=O)NCC(=O)NC[C@@H](CO)[NH2+]Cc1nnnn1C ZINC001485969865 892959068 /nfs/dbraw/zinc/95/90/68/892959068.db2.gz PZQJDORLYORUPX-QMMMGPOBSA-N 1 2 285.308 -3.087 20 0 CAADLO Cn1cc(C[NH2+][C@H](CO)CNC(=O)[C@H]2CCCO2)nn1 ZINC001485972178 892959397 /nfs/dbraw/zinc/95/93/97/892959397.db2.gz KDQNPOOLPXZIJJ-WDEREUQCSA-N 1 2 283.332 -1.439 20 0 CAADLO Cn1cc(C[NH2+][C@@H](CO)CNC(=O)[C@@H]2CCCO2)nn1 ZINC001485972176 892959545 /nfs/dbraw/zinc/95/95/45/892959545.db2.gz KDQNPOOLPXZIJJ-MNOVXSKESA-N 1 2 283.332 -1.439 20 0 CAADLO Cc1nnc(C[NH2+][C@@H](CO)CNC(=O)c2cnn(C)c2)[nH]1 ZINC001485973766 892961393 /nfs/dbraw/zinc/96/13/93/892961393.db2.gz XDZORCOAOZJPMN-SNVBAGLBSA-N 1 2 293.331 -1.273 20 0 CAADLO Cn1cc(C(=O)NC[C@H](CO)[NH2+]Cc2cn(C)nn2)cn1 ZINC001485973771 892961573 /nfs/dbraw/zinc/96/15/73/892961573.db2.gz XEYPMHLPGVKYCT-LLVKDONJSA-N 1 2 293.331 -1.571 20 0 CAADLO Cn1cc(C[NH2+][C@H](CO)CNC(=O)[C@@H]2CCCO2)nn1 ZINC001485972177 892961746 /nfs/dbraw/zinc/96/17/46/892961746.db2.gz KDQNPOOLPXZIJJ-QWRGUYRKSA-N 1 2 283.332 -1.439 20 0 CAADLO Cc1cc(C(=O)NC[C@H](CO)[NH2+]Cc2nnnn2C)[nH]n1 ZINC001485978204 892963361 /nfs/dbraw/zinc/96/33/61/892963361.db2.gz VMPSOCBBJGFAGG-MRVPVSSYSA-N 1 2 294.319 -1.878 20 0 CAADLO Cc1cc(C(=O)NC[C@@H](CO)[NH2+]Cc2nnnn2C)[nH]n1 ZINC001485978206 892963628 /nfs/dbraw/zinc/96/36/28/892963628.db2.gz VMPSOCBBJGFAGG-QMMMGPOBSA-N 1 2 294.319 -1.878 20 0 CAADLO CO[C@H](C)CC(=O)NC[C@@H](CO)[NH2+]Cc1nnnn1C ZINC001485979324 892963777 /nfs/dbraw/zinc/96/37/77/892963777.db2.gz HYNODKFVMHDXDG-BDAKNGLRSA-N 1 2 286.336 -1.798 20 0 CAADLO Cn1cc(C[NH2+][C@H](CO)CNC(=O)c2cnns2)nn1 ZINC001485978426 892963885 /nfs/dbraw/zinc/96/38/85/892963885.db2.gz ZLIMCQVXIHXAHM-QMMMGPOBSA-N 1 2 297.344 -1.453 20 0 CAADLO COC(=O)NCC(=O)NC[C@H](CO)[NH2+]Cc1ccon1 ZINC001485975578 892964284 /nfs/dbraw/zinc/96/42/84/892964284.db2.gz AYHMTLYQHLXIRE-SECBINFHSA-N 1 2 286.288 -1.403 20 0 CAADLO Cc1cc(C(=O)NC[C@@H](CO)[NH2+]Cc2cn(C)nn2)[nH]n1 ZINC001485977256 892964581 /nfs/dbraw/zinc/96/45/81/892964581.db2.gz MGGSUSKDYGVKMS-JTQLQIEISA-N 1 2 293.331 -1.273 20 0 CAADLO Cc1nc(C[NH2+][C@@H](CO)CNC(=O)[C@@H]2COCCO2)co1 ZINC001485975794 892964969 /nfs/dbraw/zinc/96/49/69/892964969.db2.gz HINQBKDNEBSXID-PWSUYJOCSA-N 1 2 299.327 -1.035 20 0 CAADLO COC(=O)NCC(=O)NC[C@@H](CO)[NH2+]Cc1ccon1 ZINC001485975580 892965392 /nfs/dbraw/zinc/96/53/92/892965392.db2.gz AYHMTLYQHLXIRE-VIFPVBQESA-N 1 2 286.288 -1.403 20 0 CAADLO Cn1nnnc1C[NH2+][C@H](CO)CNC(=O)C[C@H]1CCOC1 ZINC001485982414 892967689 /nfs/dbraw/zinc/96/76/89/892967689.db2.gz LPLDDVQJQGQMGD-ZJUUUORDSA-N 1 2 298.347 -1.797 20 0 CAADLO NC(=O)CC(=O)NC[C@H](CO)[NH2+]Cc1nccs1 ZINC001485982295 892968212 /nfs/dbraw/zinc/96/82/12/892968212.db2.gz KSIJKJUBMKAJBF-SSDOTTSWSA-N 1 2 272.330 -1.415 20 0 CAADLO CCn1ncc(C[NH2+][C@@H](CO)CNC(=O)CC(N)=O)n1 ZINC001485982505 892968534 /nfs/dbraw/zinc/96/85/34/892968534.db2.gz MAKADJIGZKDCHR-SECBINFHSA-N 1 2 284.320 -2.260 20 0 CAADLO CC(C)OCC(=O)NC[C@@H](CO)[NH2+]Cc1cnn(C)n1 ZINC001485980954 892969539 /nfs/dbraw/zinc/96/95/39/892969539.db2.gz VEYIQNRZDQMJNL-NSHDSACASA-N 1 2 285.348 -1.193 20 0 CAADLO NC(=O)CC(=O)NC[C@@H](CO)[NH2+]Cc1nccs1 ZINC001485982296 892969569 /nfs/dbraw/zinc/96/95/69/892969569.db2.gz KSIJKJUBMKAJBF-ZETCQYMHSA-N 1 2 272.330 -1.415 20 0 CAADLO CCC(=O)NCC(=O)NC[C@H](CO)[NH2+]Cc1nnnn1C ZINC001485979892 892970015 /nfs/dbraw/zinc/97/00/15/892970015.db2.gz PLVLAOILUWVTAB-MRVPVSSYSA-N 1 2 299.335 -2.697 20 0 CAADLO Cn1cnc(C(=O)NC[C@H](CO)[NH2+]Cc2ncnn2C)c1 ZINC001485987427 892971392 /nfs/dbraw/zinc/97/13/92/892971392.db2.gz NAEMYYMOXGXWHC-SECBINFHSA-N 1 2 293.331 -1.571 20 0 CAADLO Cn1nnnc1C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCCCO1 ZINC001485987454 892972256 /nfs/dbraw/zinc/97/22/56/892972256.db2.gz NMQBNKDWIRRQOG-ZJUUUORDSA-N 1 2 298.347 -1.654 20 0 CAADLO Cn1cnnc1C[NH2+][C@H](CO)CNC(=O)[C@H]1CCCCO1 ZINC001485987266 892972589 /nfs/dbraw/zinc/97/25/89/892972589.db2.gz KSOPIPNJRFQTML-WDEREUQCSA-N 1 2 297.359 -1.049 20 0 CAADLO CC1CC(C(=O)NC[C@H](CO)[NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001485986244 892973458 /nfs/dbraw/zinc/97/34/58/892973458.db2.gz QNAXVLVMOKYWNN-UDNWOFFPSA-N 1 2 297.359 -1.279 20 0 CAADLO Cn1cnc(C(=O)NC[C@@H](CO)[NH2+]Cc2ncnn2C)c1 ZINC001485987428 892974064 /nfs/dbraw/zinc/97/40/64/892974064.db2.gz NAEMYYMOXGXWHC-VIFPVBQESA-N 1 2 293.331 -1.571 20 0 CAADLO Cn1ncc(C[NH2+][C@@H](CO)CNC(=O)[C@H]2CCCCO2)n1 ZINC001485987792 892974216 /nfs/dbraw/zinc/97/42/16/892974216.db2.gz TZJYDSMRKJRSNT-VXGBXAGGSA-N 1 2 297.359 -1.049 20 0 CAADLO Cn1ncnc1C[NH2+][C@@H](CO)CNC(=O)C1=CCOCC1 ZINC001485988664 892974290 /nfs/dbraw/zinc/97/42/90/892974290.db2.gz HBQHRXBXTYXCPJ-LLVKDONJSA-N 1 2 295.343 -1.272 20 0 CAADLO Cn1cnc(C(=O)NC[C@@H](CO)[NH2+]Cc2cn(C)nn2)c1 ZINC001485988402 892974331 /nfs/dbraw/zinc/97/43/31/892974331.db2.gz WQOMHNXUONZBGM-JTQLQIEISA-N 1 2 293.331 -1.571 20 0 CAADLO Cn1cc(C[NH2+][C@H](CO)CNC(=O)CC2(O)CCC2)nn1 ZINC001485994176 892978550 /nfs/dbraw/zinc/97/85/50/892978550.db2.gz SEZSIHZJBUGYQL-NSHDSACASA-N 1 2 297.359 -1.313 20 0 CAADLO O=C(C[C@H]1CCNC1=O)NC[C@@H](CO)[NH2+]Cc1ccon1 ZINC001486002505 892980716 /nfs/dbraw/zinc/98/07/16/892980716.db2.gz RVRXWOUEVYIKJQ-KOLCDFICSA-N 1 2 296.327 -1.233 20 0 CAADLO O=C(C[C@@H]1CCNC1=O)NC[C@H](CO)[NH2+]Cc1ccon1 ZINC001486002503 892980746 /nfs/dbraw/zinc/98/07/46/892980746.db2.gz RVRXWOUEVYIKJQ-GXSJLCMTSA-N 1 2 296.327 -1.233 20 0 CAADLO Cn1cncc1C(=O)NC[C@H](CO)[NH2+]Cc1nnnn1C ZINC001486014557 892984160 /nfs/dbraw/zinc/98/41/60/892984160.db2.gz YMTBFUZKUTVMLA-MRVPVSSYSA-N 1 2 294.319 -2.176 20 0 CAADLO Cn1ncc(C[NH2+][C@@H](CO)CNC(=O)C2(C(N)=O)CC2)n1 ZINC001486030001 892990633 /nfs/dbraw/zinc/99/06/33/892990633.db2.gz NHPFIMSMCKZMOI-SECBINFHSA-N 1 2 296.331 -2.353 20 0 CAADLO NC(=O)C(=O)NC[C@@H](CO)[NH2+]Cc1cc(C2CC2)no1 ZINC001486029560 892991550 /nfs/dbraw/zinc/99/15/50/892991550.db2.gz BFDGLFSLRQLPMT-QMMMGPOBSA-N 1 2 282.300 -1.396 20 0 CAADLO O=C(NC[C@H](CO)[NH2+]CCn1cncn1)c1[nH]ncc1F ZINC001486032036 892993941 /nfs/dbraw/zinc/99/39/41/892993941.db2.gz MLBCAHVFTMSKNA-MRVPVSSYSA-N 1 2 297.294 -1.479 20 0 CAADLO NC(=O)[C@@H]1C[C@@H]1C(=O)NC[C@H](CO)[NH2+]Cc1nccs1 ZINC001486033565 892995528 /nfs/dbraw/zinc/99/55/28/892995528.db2.gz JHSMCTUFBGIJTM-HLTSFMKQSA-N 1 2 298.368 -1.169 20 0 CAADLO Cc1nc(C[NH2+][C@H](CO)CNC(=O)Cc2nc[nH]n2)co1 ZINC001486049600 892998645 /nfs/dbraw/zinc/99/86/45/892998645.db2.gz HBVFCKMOWGOSKW-VIFPVBQESA-N 1 2 294.315 -1.089 20 0 CAADLO Cn1cnnc1C[NH2+][C@H](CO)CNC(=O)c1ncccn1 ZINC001486046078 892998746 /nfs/dbraw/zinc/99/87/46/892998746.db2.gz HVSPCZXREKWHHP-VIFPVBQESA-N 1 2 291.315 -1.514 20 0 CAADLO Cn1ncnc1C[NH2+][C@H](CO)CNC(=O)[C@@]1(C)CCOC1 ZINC001486049303 892999162 /nfs/dbraw/zinc/99/91/62/892999162.db2.gz ZMXDUVWDTTVAHT-GWCFXTLKSA-N 1 2 297.359 -1.192 20 0 CAADLO Cn1cc(C[NH2+][C@H](CO)CNC(=O)Cc2ncc[nH]2)nn1 ZINC001486049108 892999241 /nfs/dbraw/zinc/99/92/41/892999241.db2.gz YBUVTIDNBJFGPZ-JTQLQIEISA-N 1 2 293.331 -1.652 20 0 CAADLO Cn1nccc1C[NH2+][C@@H](CO)CNC(=O)Cc1nnc[nH]1 ZINC001486050507 893003027 /nfs/dbraw/zinc/00/30/27/893003027.db2.gz PVELGSIWDFORLL-SECBINFHSA-N 1 2 293.331 -1.652 20 0 CAADLO Cn1nnnc1CN[C@@H](CO)CNC(=O)Cn1cc[nH+]c1 ZINC001486066287 893007771 /nfs/dbraw/zinc/00/77/71/893007771.db2.gz QYQIEQZRTYGZAS-SECBINFHSA-N 1 2 294.319 -2.327 20 0 CAADLO O=C(Cn1cncn1)NC[C@@H](CO)[NH2+]Cc1ccon1 ZINC001486060131 893011549 /nfs/dbraw/zinc/01/15/49/893011549.db2.gz XFPGZBWPUJNMQC-JTQLQIEISA-N 1 2 280.288 -1.467 20 0 CAADLO CN(C[C@@H](O)C[NH2+]Cc1csnn1)C(=O)c1cn[nH]n1 ZINC001486288289 893036098 /nfs/dbraw/zinc/03/60/98/893036098.db2.gz PLIBVJVBUNTCEI-QMMMGPOBSA-N 1 2 297.344 -1.121 20 0 CAADLO CNC(=O)[C@@H](C)[NH2+]C[C@H](O)CN(C)C(=O)Cc1ncn[nH]1 ZINC001486310266 893045543 /nfs/dbraw/zinc/04/55/43/893045543.db2.gz SKEDOVQBUJBWNV-BDAKNGLRSA-N 1 2 298.347 -2.109 20 0 CAADLO CNC(=O)[C@@H](C)[NH2+]C[C@@H](O)CN(C)C(=O)Cc1ncn[nH]1 ZINC001486310269 893047537 /nfs/dbraw/zinc/04/75/37/893047537.db2.gz SKEDOVQBUJBWNV-RKDXNWHRSA-N 1 2 298.347 -2.109 20 0 CAADLO CC(C)N(CC[N@H+](C)CC(N)=O)C(=O)[C@H]1CNC(=O)N1 ZINC001486374632 893064306 /nfs/dbraw/zinc/06/43/06/893064306.db2.gz DJRIGKPIBPZCBU-SECBINFHSA-N 1 2 285.348 -1.678 20 0 CAADLO CC(C)N(CC[N@@H+](C)CC(N)=O)C(=O)[C@H]1CNC(=O)N1 ZINC001486374632 893064326 /nfs/dbraw/zinc/06/43/26/893064326.db2.gz DJRIGKPIBPZCBU-SECBINFHSA-N 1 2 285.348 -1.678 20 0 CAADLO CNC(=O)C[N@H+](CCNC(=O)c1cnon1)CCOC ZINC001486432196 893067296 /nfs/dbraw/zinc/06/72/96/893067296.db2.gz OZXDZBXDYSIRNH-UHFFFAOYSA-N 1 2 285.304 -1.506 20 0 CAADLO CNC(=O)C[N@@H+](CCNC(=O)c1cnon1)CCOC ZINC001486432196 893067313 /nfs/dbraw/zinc/06/73/13/893067313.db2.gz OZXDZBXDYSIRNH-UHFFFAOYSA-N 1 2 285.304 -1.506 20 0 CAADLO C[C@H](NC(=O)Cc1[nH]cc[nH+]1)C1CN(C(=O)C(N)=O)C1 ZINC001487210509 893088432 /nfs/dbraw/zinc/08/84/32/893088432.db2.gz DZKXDNAWRXVWCY-ZETCQYMHSA-N 1 2 279.300 -1.599 20 0 CAADLO COCC(=O)N1CC(CCO)(NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001487048903 893091253 /nfs/dbraw/zinc/09/12/53/893091253.db2.gz XMNRWHNDQVCJIJ-UHFFFAOYSA-N 1 2 296.327 -1.322 20 0 CAADLO Cc1[nH+]c[nH]c1CC(=O)N[C@H]1C[C@H](CNC(=O)C(N)=O)C1 ZINC001487440426 893094509 /nfs/dbraw/zinc/09/45/09/893094509.db2.gz ORNVGQUJQDERAF-KYZUINATSA-N 1 2 293.327 -1.243 20 0 CAADLO CC(=O)NCC(=O)N[C@@H](C)CN(C)C(=O)Cn1cc[nH+]c1 ZINC001487821398 893103320 /nfs/dbraw/zinc/10/33/20/893103320.db2.gz KJXWWGVINAFTBY-JTQLQIEISA-N 1 2 295.343 -1.018 20 0 CAADLO C[C@@H](CN(C)C(=O)Cc1c[nH+]c[nH]1)NC(=O)C(N)=O ZINC001487920531 893105997 /nfs/dbraw/zinc/10/59/97/893105997.db2.gz IJLQVSQXEISNHG-ZETCQYMHSA-N 1 2 267.289 -1.599 20 0 CAADLO C[C@H](CN(C)C(=O)Cc1c[nH+]c[nH]1)NC(=O)CC(N)=O ZINC001487920424 893106936 /nfs/dbraw/zinc/10/69/36/893106936.db2.gz IFRJNCJLJGTNHU-MRVPVSSYSA-N 1 2 281.316 -1.209 20 0 CAADLO CC[C@H](OC)C(=O)NC[C@@H](CO)NC(=O)Cn1cc[nH+]c1 ZINC001487959387 893121652 /nfs/dbraw/zinc/12/16/52/893121652.db2.gz XSJOXCCQTWATRL-QWRGUYRKSA-N 1 2 298.343 -1.099 20 0 CAADLO C[C@H](CC(=O)NC[C@H](CO)NC(=O)C(N)=O)n1cc[nH+]c1 ZINC001487994584 893129596 /nfs/dbraw/zinc/12/95/96/893129596.db2.gz AIPFKELNFWFJLX-RKDXNWHRSA-N 1 2 297.315 -2.087 20 0 CAADLO NC(=O)C(=O)N[C@@H](CO)CNC(=O)CCn1cc[nH+]c1 ZINC001488050141 893135644 /nfs/dbraw/zinc/13/56/44/893135644.db2.gz IHUYDBBKCOEDCJ-MRVPVSSYSA-N 1 2 283.288 -2.648 20 0 CAADLO CCOCC(=O)N[C@H](CO)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001488077157 893141823 /nfs/dbraw/zinc/14/18/23/893141823.db2.gz FXFRVXXOSYASCU-VIFPVBQESA-N 1 2 284.316 -1.418 20 0 CAADLO COC[C@H](C)C(=O)N[C@@H](CO)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001488109737 893148635 /nfs/dbraw/zinc/14/86/35/893148635.db2.gz DVBPEZHLZAJOOU-GXSJLCMTSA-N 1 2 298.343 -1.172 20 0 CAADLO CC(C)(O)CC(=O)N[C@@H](CO)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001488109590 893149582 /nfs/dbraw/zinc/14/95/82/893149582.db2.gz DDDMTHBEVXNIIC-SNVBAGLBSA-N 1 2 298.343 -1.294 20 0 CAADLO COCCC(=O)N(C)C[C@@H](O)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001488315491 893152318 /nfs/dbraw/zinc/15/23/18/893152318.db2.gz OWHQTOXEYFEKDD-NSHDSACASA-N 1 2 298.343 -1.076 20 0 CAADLO CC(=O)NC[C@H](O)CN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001488397677 893157409 /nfs/dbraw/zinc/15/74/09/893157409.db2.gz KEWCPCCPXJNACN-VIFPVBQESA-N 1 2 254.290 -1.092 20 0 CAADLO COCC(=O)NC[C@@H](O)CN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001488413813 893162018 /nfs/dbraw/zinc/16/20/18/893162018.db2.gz JMNZDPYTDCCYHN-SNVBAGLBSA-N 1 2 284.316 -1.466 20 0 CAADLO C[C@@H](C(=O)N(C)C)[N@@H+]1CC[C@H]1CN(C)C(=O)C(N)=O ZINC001488653110 893163440 /nfs/dbraw/zinc/16/34/40/893163440.db2.gz IEEATBVXKBBRSJ-IUCAKERBSA-N 1 2 270.333 -1.519 20 0 CAADLO C[C@@H](C(=O)N(C)C)[N@H+]1CC[C@H]1CN(C)C(=O)C(N)=O ZINC001488653110 893163446 /nfs/dbraw/zinc/16/34/46/893163446.db2.gz IEEATBVXKBBRSJ-IUCAKERBSA-N 1 2 270.333 -1.519 20 0 CAADLO C[C@H](C(=O)N(C)C)[N@@H+]1CC[C@@H]1CN(C)C(=O)C(N)=O ZINC001488653112 893163824 /nfs/dbraw/zinc/16/38/24/893163824.db2.gz IEEATBVXKBBRSJ-RKDXNWHRSA-N 1 2 270.333 -1.519 20 0 CAADLO C[C@H](C(=O)N(C)C)[N@H+]1CC[C@@H]1CN(C)C(=O)C(N)=O ZINC001488653112 893163834 /nfs/dbraw/zinc/16/38/34/893163834.db2.gz IEEATBVXKBBRSJ-RKDXNWHRSA-N 1 2 270.333 -1.519 20 0 CAADLO CCCOCC(=O)N[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@@H]1O ZINC001488545928 893163922 /nfs/dbraw/zinc/16/39/22/893163922.db2.gz LTFOCEMCYOUABW-VWYCJHECSA-N 1 2 285.344 -1.537 20 0 CAADLO CCCOCC(=O)N[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@@H]1O ZINC001488545928 893163930 /nfs/dbraw/zinc/16/39/30/893163930.db2.gz LTFOCEMCYOUABW-VWYCJHECSA-N 1 2 285.344 -1.537 20 0 CAADLO C[C@@H](C(=O)N(C)C)[N@@H+]1CC[C@@H]1CN(C)C(=O)C(N)=O ZINC001488653106 893165236 /nfs/dbraw/zinc/16/52/36/893165236.db2.gz IEEATBVXKBBRSJ-DTWKUNHWSA-N 1 2 270.333 -1.519 20 0 CAADLO C[C@@H](C(=O)N(C)C)[N@H+]1CC[C@@H]1CN(C)C(=O)C(N)=O ZINC001488653106 893165243 /nfs/dbraw/zinc/16/52/43/893165243.db2.gz IEEATBVXKBBRSJ-DTWKUNHWSA-N 1 2 270.333 -1.519 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)CCNC(N)=O ZINC001488692267 893165381 /nfs/dbraw/zinc/16/53/81/893165381.db2.gz WRHHBQVFAAAPRN-VIFPVBQESA-N 1 2 285.348 -1.677 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)CCNC(N)=O ZINC001488692267 893165386 /nfs/dbraw/zinc/16/53/86/893165386.db2.gz WRHHBQVFAAAPRN-VIFPVBQESA-N 1 2 285.348 -1.677 20 0 CAADLO CC[C@@H]1[C@@H](NC(=O)C(=O)NCC2CC2)CC[N@@H+]1CC(N)=O ZINC001489138748 893170269 /nfs/dbraw/zinc/17/02/69/893170269.db2.gz CFTPHPVGVOBROJ-WDEREUQCSA-N 1 2 296.371 -1.033 20 0 CAADLO CC[C@@H]1[C@@H](NC(=O)C(=O)NCC2CC2)CC[N@H+]1CC(N)=O ZINC001489138748 893170275 /nfs/dbraw/zinc/17/02/75/893170275.db2.gz CFTPHPVGVOBROJ-WDEREUQCSA-N 1 2 296.371 -1.033 20 0 CAADLO CCC(=O)N[C@H](C)C(=O)N[C@H]1CC[N@H+](CC(N)=O)[C@@H]1C ZINC001489267279 893176137 /nfs/dbraw/zinc/17/61/37/893176137.db2.gz BKPJRVJJXFIUCL-BBBLOLIVSA-N 1 2 284.360 -1.035 20 0 CAADLO CCC(=O)N[C@H](C)C(=O)N[C@H]1CC[N@@H+](CC(N)=O)[C@@H]1C ZINC001489267279 893176145 /nfs/dbraw/zinc/17/61/45/893176145.db2.gz BKPJRVJJXFIUCL-BBBLOLIVSA-N 1 2 284.360 -1.035 20 0 CAADLO C[C@@H]1[C@@H](NC(=O)CO[C@@H]2CCOC2)CC[N@@H+]1CC(N)=O ZINC001489263036 893176439 /nfs/dbraw/zinc/17/64/39/893176439.db2.gz MWEAGDNBPLPCNK-MXWKQRLJSA-N 1 2 285.344 -1.144 20 0 CAADLO C[C@@H]1[C@@H](NC(=O)CO[C@@H]2CCOC2)CC[N@H+]1CC(N)=O ZINC001489263036 893176442 /nfs/dbraw/zinc/17/64/42/893176442.db2.gz MWEAGDNBPLPCNK-MXWKQRLJSA-N 1 2 285.344 -1.144 20 0 CAADLO COCCC(=O)N1C[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H](O)C1 ZINC001489596354 893185001 /nfs/dbraw/zinc/18/50/01/893185001.db2.gz OAEMVLGMIVOOHG-MNOVXSKESA-N 1 2 296.327 -1.393 20 0 CAADLO NC(=O)C(=O)NC[C@H]1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001489902141 893187108 /nfs/dbraw/zinc/18/71/08/893187108.db2.gz DQZLCWQMBTWFAY-DTWKUNHWSA-N 1 2 293.327 -1.161 20 0 CAADLO NC(=O)C(=O)N[C@H]1C[C@@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001489854434 893188787 /nfs/dbraw/zinc/18/87/87/893188787.db2.gz FVNPLVGWVPXRRW-OCAPTIKFSA-N 1 2 279.300 -1.552 20 0 CAADLO Cn1cc(C[N@H+](C)CCCNC(=O)Cn2ncnn2)nn1 ZINC001490196160 893190798 /nfs/dbraw/zinc/19/07/98/893190798.db2.gz MIJWAPJSLQXGSN-UHFFFAOYSA-N 1 2 293.335 -1.560 20 0 CAADLO Cn1cc(C[N@@H+](C)CCCNC(=O)Cn2ncnn2)nn1 ZINC001490196160 893190802 /nfs/dbraw/zinc/19/08/02/893190802.db2.gz MIJWAPJSLQXGSN-UHFFFAOYSA-N 1 2 293.335 -1.560 20 0 CAADLO COCC(=O)NCCN1CC[NH+](CC(=O)N2CCC2)CC1 ZINC001490477211 893199493 /nfs/dbraw/zinc/19/94/93/893199493.db2.gz VPBMTSILLSPTIE-UHFFFAOYSA-N 1 2 298.387 -1.401 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@H](NC(=O)CO[C@@H]2CCOC2)C1 ZINC001490435760 893200399 /nfs/dbraw/zinc/20/03/99/893200399.db2.gz PIKCDUPQNXHSID-WDEREUQCSA-N 1 2 285.344 -1.142 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@H](NC(=O)CO[C@@H]2CCOC2)C1 ZINC001490435760 893200418 /nfs/dbraw/zinc/20/04/18/893200418.db2.gz PIKCDUPQNXHSID-WDEREUQCSA-N 1 2 285.344 -1.142 20 0 CAADLO CC(C)(C)NC(=O)C[N@@H+]1CCC[C@@H](NC(=O)C(N)=O)C1 ZINC001490448716 893201435 /nfs/dbraw/zinc/20/14/35/893201435.db2.gz CQNNBGHKBPAFJO-SECBINFHSA-N 1 2 284.360 -1.033 20 0 CAADLO CC(C)(C)NC(=O)C[N@H+]1CCC[C@@H](NC(=O)C(N)=O)C1 ZINC001490448716 893201450 /nfs/dbraw/zinc/20/14/50/893201450.db2.gz CQNNBGHKBPAFJO-SECBINFHSA-N 1 2 284.360 -1.033 20 0 CAADLO CS(=O)(=O)NCC[N@@H+]1CCC[C@H](NC(=O)C(N)=O)C1 ZINC001490448691 893203486 /nfs/dbraw/zinc/20/34/86/893203486.db2.gz BVLXTYHCQPXNFR-QMMMGPOBSA-N 1 2 292.361 -2.399 20 0 CAADLO CS(=O)(=O)NCC[N@H+]1CCC[C@H](NC(=O)C(N)=O)C1 ZINC001490448691 893203504 /nfs/dbraw/zinc/20/35/04/893203504.db2.gz BVLXTYHCQPXNFR-QMMMGPOBSA-N 1 2 292.361 -2.399 20 0 CAADLO C[C@H](C(N)=O)[NH+]1CCN(CCNC(=O)[C@H]2CCOC2)CC1 ZINC001490485017 893206287 /nfs/dbraw/zinc/20/62/87/893206287.db2.gz OTEKEXZZLFOTNH-NEPJUHHUSA-N 1 2 298.387 -1.370 20 0 CAADLO C[C@@H](C(N)=O)[NH+]1CCN(CCNC(=O)c2cnon2)CC1 ZINC001490507022 893207013 /nfs/dbraw/zinc/20/70/13/893207013.db2.gz JJATXXJUXQCONA-VIFPVBQESA-N 1 2 296.331 -1.709 20 0 CAADLO CNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)COC)C1 ZINC001490514054 893208252 /nfs/dbraw/zinc/20/82/52/893208252.db2.gz CBSLRWKWUSGLHN-RKDXNWHRSA-N 1 2 286.332 -1.333 20 0 CAADLO CNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@@H](NC(=O)COC)C1 ZINC001490514054 893208277 /nfs/dbraw/zinc/20/82/77/893208277.db2.gz CBSLRWKWUSGLHN-RKDXNWHRSA-N 1 2 286.332 -1.333 20 0 CAADLO CCn1nncc1C[N@@H+]1CC[C@H](NC(=O)CC(N)=O)C1 ZINC001490531213 893208881 /nfs/dbraw/zinc/20/88/81/893208881.db2.gz YQADENRLTYSROI-VIFPVBQESA-N 1 2 280.332 -1.136 20 0 CAADLO CCn1nncc1C[N@H+]1CC[C@H](NC(=O)CC(N)=O)C1 ZINC001490531213 893208898 /nfs/dbraw/zinc/20/88/98/893208898.db2.gz YQADENRLTYSROI-VIFPVBQESA-N 1 2 280.332 -1.136 20 0 CAADLO CNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@H](NC(=O)COC)C1 ZINC001490514052 893209254 /nfs/dbraw/zinc/20/92/54/893209254.db2.gz CBSLRWKWUSGLHN-DTWKUNHWSA-N 1 2 286.332 -1.333 20 0 CAADLO CNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@@H](NC(=O)COC)C1 ZINC001490514052 893209273 /nfs/dbraw/zinc/20/92/73/893209273.db2.gz CBSLRWKWUSGLHN-DTWKUNHWSA-N 1 2 286.332 -1.333 20 0 CAADLO O=C(Cc1nnc[nH]1)NCCN1CC[NH+](CCO)CC1 ZINC001490509598 893210499 /nfs/dbraw/zinc/21/04/99/893210499.db2.gz TYDCBJKDZBYODF-UHFFFAOYSA-N 1 2 282.348 -1.927 20 0 CAADLO CNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@H](NC(=O)C(N)=O)C1 ZINC001490558131 893216556 /nfs/dbraw/zinc/21/65/56/893216556.db2.gz ADHHSMMKAONQQE-RQJHMYQMSA-N 1 2 285.304 -2.494 20 0 CAADLO CNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@H](NC(=O)C(N)=O)C1 ZINC001490558131 893216571 /nfs/dbraw/zinc/21/65/71/893216571.db2.gz ADHHSMMKAONQQE-RQJHMYQMSA-N 1 2 285.304 -2.494 20 0 CAADLO Cn1nnnc1C[N@@H+]1CCC[C@H](CNC(=O)C(N)=O)C1 ZINC001491120145 893241539 /nfs/dbraw/zinc/24/15/39/893241539.db2.gz LKNQWGSICFVRLA-MRVPVSSYSA-N 1 2 281.320 -1.976 20 0 CAADLO Cn1nnnc1C[N@H+]1CCC[C@H](CNC(=O)C(N)=O)C1 ZINC001491120145 893241552 /nfs/dbraw/zinc/24/15/52/893241552.db2.gz LKNQWGSICFVRLA-MRVPVSSYSA-N 1 2 281.320 -1.976 20 0 CAADLO O=C(CCc1c[nH]c[nH+]1)NCCNC(=O)Cn1cnnn1 ZINC001491095277 893242313 /nfs/dbraw/zinc/24/23/13/893242313.db2.gz PHDFAUZALUNJJA-UHFFFAOYSA-N 1 2 292.303 -1.739 20 0 CAADLO O=C(CCc1c[nH+]c[nH]1)NCCNC(=O)Cn1cnnn1 ZINC001491095277 893242328 /nfs/dbraw/zinc/24/23/28/893242328.db2.gz PHDFAUZALUNJJA-UHFFFAOYSA-N 1 2 292.303 -1.739 20 0 CAADLO O=C(CCc1[nH]cc[nH+]1)NCCNC(=O)[C@H]1COCCO1 ZINC001491124315 893242673 /nfs/dbraw/zinc/24/26/73/893242673.db2.gz RFCJXMFZPFBXGQ-SNVBAGLBSA-N 1 2 296.327 -1.010 20 0 CAADLO O=C(CCc1[nH]cc[nH+]1)NCCNC(=O)[C@@H]1COCCO1 ZINC001491124314 893242849 /nfs/dbraw/zinc/24/28/49/893242849.db2.gz RFCJXMFZPFBXGQ-JTQLQIEISA-N 1 2 296.327 -1.010 20 0 CAADLO NC(=O)CC(=O)NCCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001491193733 893250730 /nfs/dbraw/zinc/25/07/30/893250730.db2.gz HWJNVPPYLOZODW-VIFPVBQESA-N 1 2 293.327 -1.447 20 0 CAADLO NC(=O)C[N@@H+]1CCCC[C@H]1CNC(=O)Cn1ncnn1 ZINC001491213735 893251666 /nfs/dbraw/zinc/25/16/66/893251666.db2.gz KOXRXJYOROJKRC-VIFPVBQESA-N 1 2 281.320 -1.871 20 0 CAADLO NC(=O)C[N@H+]1CCCC[C@H]1CNC(=O)Cn1ncnn1 ZINC001491213735 893251675 /nfs/dbraw/zinc/25/16/75/893251675.db2.gz KOXRXJYOROJKRC-VIFPVBQESA-N 1 2 281.320 -1.871 20 0 CAADLO NC(=O)CC(=O)NCCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001491193732 893252692 /nfs/dbraw/zinc/25/26/92/893252692.db2.gz HWJNVPPYLOZODW-SECBINFHSA-N 1 2 293.327 -1.447 20 0 CAADLO NC(=O)C(=O)NC[C@@H]1CCCC[N@@H+]1CC(=O)NC1CC1 ZINC001491226211 893255686 /nfs/dbraw/zinc/25/56/86/893255686.db2.gz TZHOXDGRNGPZSG-JTQLQIEISA-N 1 2 282.344 -1.279 20 0 CAADLO NC(=O)C(=O)NC[C@@H]1CCCC[N@H+]1CC(=O)NC1CC1 ZINC001491226211 893255703 /nfs/dbraw/zinc/25/57/03/893255703.db2.gz TZHOXDGRNGPZSG-JTQLQIEISA-N 1 2 282.344 -1.279 20 0 CAADLO O=C(CCn1cc[nH+]c1)NCCNC(=O)[C@H]1COC(=O)N1 ZINC001491263022 893260930 /nfs/dbraw/zinc/26/09/30/893260930.db2.gz UOAARZADHJWYCQ-SECBINFHSA-N 1 2 295.299 -1.386 20 0 CAADLO O=C(CCn1cc[nH+]c1)NCCNC(=O)[C@@H]1COC(=O)N1 ZINC001491263024 893261323 /nfs/dbraw/zinc/26/13/23/893261323.db2.gz UOAARZADHJWYCQ-VIFPVBQESA-N 1 2 295.299 -1.386 20 0 CAADLO C[C@@H](CC(=O)NCCNC(=O)C(N)=O)n1cc[nH+]c1 ZINC001491311368 893262861 /nfs/dbraw/zinc/26/28/61/893262861.db2.gz LVQNTFDPRGFLPU-QMMMGPOBSA-N 1 2 267.289 -1.448 20 0 CAADLO Cc1c[nH+]c2cc(C(=O)NCCNC(=O)C(N)=O)ccn12 ZINC001491325721 893263007 /nfs/dbraw/zinc/26/30/07/893263007.db2.gz UBALAXNZHXIRLM-UHFFFAOYSA-N 1 2 289.295 -1.026 20 0 CAADLO COCC(=O)NC[C@H](C)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001491372520 893263184 /nfs/dbraw/zinc/26/31/84/893263184.db2.gz SYOJZHAVEVLUFV-ZETCQYMHSA-N 1 2 257.294 -1.651 20 0 CAADLO C[C@H](CNC(=O)Cn1cnnn1)[NH2+]Cc1csnn1 ZINC001491388368 893266295 /nfs/dbraw/zinc/26/62/95/893266295.db2.gz GVWFZXMGKCKPBO-SSDOTTSWSA-N 1 2 282.333 -1.181 20 0 CAADLO NC(=O)[C@@H]1CC[C@H]1C(=O)NCCNC(=O)Cn1cc[nH+]c1 ZINC001491420391 893273279 /nfs/dbraw/zinc/27/32/79/893273279.db2.gz ASJURXQNVOXVBJ-NXEZZACHSA-N 1 2 293.327 -1.373 20 0 CAADLO Cn1c[nH+]cc1CC(=O)NCCNC(=O)c1cnn(C)n1 ZINC001491460247 893275838 /nfs/dbraw/zinc/27/58/38/893275838.db2.gz UAGZTSWNMVFKEW-UHFFFAOYSA-N 1 2 291.315 -1.363 20 0 CAADLO Cc1noc(C[NH2+][C@H](C)CNC(=O)Cn2ncnn2)n1 ZINC001491455486 893277004 /nfs/dbraw/zinc/27/70/04/893277004.db2.gz GNKQUJVDCYNOJH-SSDOTTSWSA-N 1 2 280.292 -1.341 20 0 CAADLO C[C@H](CNC(=O)Cn1ncnn1)[NH2+]Cc1cnon1 ZINC001491456004 893278885 /nfs/dbraw/zinc/27/88/85/893278885.db2.gz KKVBSGZOJMBLIA-SSDOTTSWSA-N 1 2 266.265 -1.649 20 0 CAADLO O=C(CCn1cc[nH+]c1)NCCNC(=O)Cn1cncn1 ZINC001491483456 893280636 /nfs/dbraw/zinc/28/06/36/893280636.db2.gz XSPGRDAYYLQYAZ-UHFFFAOYSA-N 1 2 291.315 -1.203 20 0 CAADLO CN1CC[C@@H](C(=O)NCCNC(=O)Cc2[nH]cc[nH+]2)C1=O ZINC001491517023 893286782 /nfs/dbraw/zinc/28/67/82/893286782.db2.gz DSKBCTISVZUMHN-VIFPVBQESA-N 1 2 293.327 -1.337 20 0 CAADLO C[C@@H](CNC(=O)c1nnn(C)n1)[NH2+]Cc1csnn1 ZINC001491555757 893289630 /nfs/dbraw/zinc/28/96/30/893289630.db2.gz TWSQIDOFADVIBT-LURJTMIESA-N 1 2 282.333 -1.030 20 0 CAADLO C[C@H](CNC(=O)c1nnn(C)n1)[NH2+]Cc1csnn1 ZINC001491555758 893289795 /nfs/dbraw/zinc/28/97/95/893289795.db2.gz TWSQIDOFADVIBT-ZCFIWIBFSA-N 1 2 282.333 -1.030 20 0 CAADLO C[C@@H](CNC(=O)CN1CCNC(=O)C1)[NH2+]Cc1cnon1 ZINC001491550752 893289921 /nfs/dbraw/zinc/28/99/21/893289921.db2.gz YMXFVKQJRDEQDW-VIFPVBQESA-N 1 2 296.331 -1.904 20 0 CAADLO Cc1nnc(C[NH2+][C@H](C)CNC(=O)c2nnn(C)n2)o1 ZINC001491556517 893291002 /nfs/dbraw/zinc/29/10/02/893291002.db2.gz YBARMCHTVVTHKY-ZCFIWIBFSA-N 1 2 280.292 -1.190 20 0 CAADLO CCc1noc(C[NH2+][C@@H](C)CNC(=O)[C@@H]2CNC(=O)N2)n1 ZINC001491566457 893293272 /nfs/dbraw/zinc/29/32/72/893293272.db2.gz IZBOFVWGBITONW-YUMQZZPRSA-N 1 2 296.331 -1.092 20 0 CAADLO C[C@H](CNC(=O)C(N)=O)[NH2+]Cc1nnc(C2CC2)[nH]1 ZINC001491565935 893293406 /nfs/dbraw/zinc/29/34/06/893293406.db2.gz GTTAEUKYCUKPEM-ZCFIWIBFSA-N 1 2 266.305 -1.238 20 0 CAADLO C[C@@H](CNC(=O)C(N)=O)[NH2+][C@@H](C)c1nnnn1C1CC1 ZINC001491570670 893295195 /nfs/dbraw/zinc/29/51/95/893295195.db2.gz PRRWUDDXONPJSI-BQBZGAKWSA-N 1 2 281.320 -1.351 20 0 CAADLO NC(=O)[C@@H]1C[C@@H]1C(=O)NCCCNC(=O)Cc1[nH]cc[nH+]1 ZINC001491768483 893310025 /nfs/dbraw/zinc/31/00/25/893310025.db2.gz DNVDMOQYFNWFAX-BDAKNGLRSA-N 1 2 293.327 -1.304 20 0 CAADLO O=C(Cc1[nH]cc[nH+]1)NCCCNC(=O)[C@H]1CCNC1=O ZINC001491763467 893310283 /nfs/dbraw/zinc/31/02/83/893310283.db2.gz VAVPGEVDKZNQJN-SECBINFHSA-N 1 2 293.327 -1.289 20 0 CAADLO NC(=O)CC(=O)N1CC[C@@H](NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001491808466 893313710 /nfs/dbraw/zinc/31/37/10/893313710.db2.gz RVJHSYJLBZKXNC-SECBINFHSA-N 1 2 293.327 -1.065 20 0 CAADLO CN(C(=O)CCc1c[nH]c[nH+]1)[C@H]1CCN(C(=O)C(N)=O)C1 ZINC001492010977 893322687 /nfs/dbraw/zinc/32/26/87/893322687.db2.gz CFHQPHPYCYXDRV-JTQLQIEISA-N 1 2 293.327 -1.113 20 0 CAADLO CN(C(=O)CCc1c[nH+]c[nH]1)[C@H]1CCN(C(=O)C(N)=O)C1 ZINC001492010977 893322707 /nfs/dbraw/zinc/32/27/07/893322707.db2.gz CFHQPHPYCYXDRV-JTQLQIEISA-N 1 2 293.327 -1.113 20 0 CAADLO CN(C(=O)CCc1c[nH]c[nH+]1)[C@@H]1CCN(C(=O)C(N)=O)C1 ZINC001492010978 893323517 /nfs/dbraw/zinc/32/35/17/893323517.db2.gz CFHQPHPYCYXDRV-SNVBAGLBSA-N 1 2 293.327 -1.113 20 0 CAADLO CN(C(=O)CCc1c[nH+]c[nH]1)[C@@H]1CCN(C(=O)C(N)=O)C1 ZINC001492010978 893323537 /nfs/dbraw/zinc/32/35/37/893323537.db2.gz CFHQPHPYCYXDRV-SNVBAGLBSA-N 1 2 293.327 -1.113 20 0 CAADLO CNC(=O)C[N@H+](C)CCNC(=O)c1cc[n+]([O-])cc1 ZINC001492188736 893326402 /nfs/dbraw/zinc/32/64/02/893326402.db2.gz DNWRWPXTMMJQAA-UHFFFAOYSA-N 1 2 266.301 -1.272 20 0 CAADLO CNC(=O)C[N@@H+](C)CCNC(=O)c1cc[n+]([O-])cc1 ZINC001492188736 893326421 /nfs/dbraw/zinc/32/64/21/893326421.db2.gz DNWRWPXTMMJQAA-UHFFFAOYSA-N 1 2 266.301 -1.272 20 0 CAADLO CCNC(=O)C[N@H+](C)CCNC(=O)CN1CCCC1=O ZINC001492191484 893328653 /nfs/dbraw/zinc/32/86/53/893328653.db2.gz UWGDCHKXMLKSMW-UHFFFAOYSA-N 1 2 284.360 -1.207 20 0 CAADLO CCNC(=O)C[N@@H+](C)CCNC(=O)CN1CCCC1=O ZINC001492191484 893328674 /nfs/dbraw/zinc/32/86/74/893328674.db2.gz UWGDCHKXMLKSMW-UHFFFAOYSA-N 1 2 284.360 -1.207 20 0 CAADLO Cc1cc(C(=O)NCC[N@@H+](C)CC(N)=O)ncn1 ZINC001492228108 893331720 /nfs/dbraw/zinc/33/17/20/893331720.db2.gz FKSMZZVRUOMZOP-UHFFFAOYSA-N 1 2 251.290 -1.068 20 0 CAADLO Cc1cc(C(=O)NCC[N@H+](C)CC(N)=O)ncn1 ZINC001492228108 893331735 /nfs/dbraw/zinc/33/17/35/893331735.db2.gz FKSMZZVRUOMZOP-UHFFFAOYSA-N 1 2 251.290 -1.068 20 0 CAADLO CNC(=O)C[N@H+](C)CCNC(=O)C[C@@H]1COC(=O)C1 ZINC001492227028 893332496 /nfs/dbraw/zinc/33/24/96/893332496.db2.gz QKADEXXWTWMULE-VIFPVBQESA-N 1 2 271.317 -1.266 20 0 CAADLO CNC(=O)C[N@@H+](C)CCNC(=O)C[C@@H]1COC(=O)C1 ZINC001492227028 893332515 /nfs/dbraw/zinc/33/25/15/893332515.db2.gz QKADEXXWTWMULE-VIFPVBQESA-N 1 2 271.317 -1.266 20 0 CAADLO CN(C)C(=O)C[N@H+](C)CCNC(=O)CCn1ccnn1 ZINC001492237620 893336933 /nfs/dbraw/zinc/33/69/33/893336933.db2.gz YUFLZYDVGMUBHI-UHFFFAOYSA-N 1 2 282.348 -1.196 20 0 CAADLO CN(C)C(=O)C[N@@H+](C)CCNC(=O)CCn1ccnn1 ZINC001492237620 893336949 /nfs/dbraw/zinc/33/69/49/893336949.db2.gz YUFLZYDVGMUBHI-UHFFFAOYSA-N 1 2 282.348 -1.196 20 0 CAADLO C[N@H+](CCNC(=O)[C@H]1CCc2cncn2C1)CC(N)=O ZINC001492310385 893339085 /nfs/dbraw/zinc/33/90/85/893339085.db2.gz HFUQCDDKUVAEEH-JTQLQIEISA-N 1 2 279.344 -1.021 20 0 CAADLO C[N@@H+](CCNC(=O)[C@H]1CCc2cncn2C1)CC(N)=O ZINC001492310385 893339103 /nfs/dbraw/zinc/33/91/03/893339103.db2.gz HFUQCDDKUVAEEH-JTQLQIEISA-N 1 2 279.344 -1.021 20 0 CAADLO CNC(=O)C[N@@H+](C)CCNC(=O)c1[nH]c(=O)[nH]c1C ZINC001492291888 893340838 /nfs/dbraw/zinc/34/08/38/893340838.db2.gz IJQVAUBOGVDOKG-UHFFFAOYSA-N 1 2 269.305 -1.169 20 0 CAADLO C[N@H+](CCNC(=O)CCCN1C(=O)CCC1=O)CC(N)=O ZINC001492268467 893340694 /nfs/dbraw/zinc/34/06/94/893340694.db2.gz PMOLWMSQIVOMRT-UHFFFAOYSA-N 1 2 298.343 -1.551 20 0 CAADLO C[N@@H+](CCNC(=O)CCCN1C(=O)CCC1=O)CC(N)=O ZINC001492268467 893340705 /nfs/dbraw/zinc/34/07/05/893340705.db2.gz PMOLWMSQIVOMRT-UHFFFAOYSA-N 1 2 298.343 -1.551 20 0 CAADLO CNC(=O)C[N@H+](C)CCNC(=O)c1[nH]c(=O)[nH]c1C ZINC001492291888 893340822 /nfs/dbraw/zinc/34/08/22/893340822.db2.gz IJQVAUBOGVDOKG-UHFFFAOYSA-N 1 2 269.305 -1.169 20 0 CAADLO CNC(=O)C[N@H+](C)CCNC(=O)C[C@@H]1CCN(C)C1=O ZINC001492297448 893342305 /nfs/dbraw/zinc/34/23/05/893342305.db2.gz QWQLKTHAVFADQW-JTQLQIEISA-N 1 2 284.360 -1.351 20 0 CAADLO CNC(=O)C[N@@H+](C)CCNC(=O)C[C@@H]1CCN(C)C1=O ZINC001492297448 893342320 /nfs/dbraw/zinc/34/23/20/893342320.db2.gz QWQLKTHAVFADQW-JTQLQIEISA-N 1 2 284.360 -1.351 20 0 CAADLO CN1C[C@@H](C(=O)NCC[N@H+](C)CC(=O)NC2CC2)NC1=O ZINC001492373137 893344376 /nfs/dbraw/zinc/34/43/76/893344376.db2.gz DOYSQBDGQIHIOX-JTQLQIEISA-N 1 2 297.359 -1.663 20 0 CAADLO CN1C[C@@H](C(=O)NCC[N@@H+](C)CC(=O)NC2CC2)NC1=O ZINC001492373137 893344391 /nfs/dbraw/zinc/34/43/91/893344391.db2.gz DOYSQBDGQIHIOX-JTQLQIEISA-N 1 2 297.359 -1.663 20 0 CAADLO C[N@H+](CCNC(=O)[C@H]1CC[C@H]1C(N)=O)CC(=O)NC1CC1 ZINC001492369172 893344598 /nfs/dbraw/zinc/34/45/98/893344598.db2.gz CLLGINQOXJJKOF-MNOVXSKESA-N 1 2 296.371 -1.176 20 0 CAADLO C[N@@H+](CCNC(=O)[C@H]1CC[C@H]1C(N)=O)CC(=O)NC1CC1 ZINC001492369172 893344613 /nfs/dbraw/zinc/34/46/13/893344613.db2.gz CLLGINQOXJJKOF-MNOVXSKESA-N 1 2 296.371 -1.176 20 0 CAADLO C[N@H+](CCNC(=O)CN1CCNC(=O)C1)CC(N)=O ZINC001492369861 893345230 /nfs/dbraw/zinc/34/52/30/893345230.db2.gz MXGWILRYRPTITP-UHFFFAOYSA-N 1 2 271.321 -3.049 20 0 CAADLO C[N@@H+](CCNC(=O)CN1CCNC(=O)C1)CC(N)=O ZINC001492369861 893345250 /nfs/dbraw/zinc/34/52/50/893345250.db2.gz MXGWILRYRPTITP-UHFFFAOYSA-N 1 2 271.321 -3.049 20 0 CAADLO COc1cc(C[N@H+](C)CCNC(=O)[C@@H]2CNC(=O)N2)on1 ZINC001492392905 893345917 /nfs/dbraw/zinc/34/59/17/893345917.db2.gz MPUMVDXMSJOGGI-VIFPVBQESA-N 1 2 297.315 -1.087 20 0 CAADLO COc1cc(C[N@@H+](C)CCNC(=O)[C@@H]2CNC(=O)N2)on1 ZINC001492392905 893345937 /nfs/dbraw/zinc/34/59/37/893345937.db2.gz MPUMVDXMSJOGGI-VIFPVBQESA-N 1 2 297.315 -1.087 20 0 CAADLO CCOCCNC(=O)C[N@H+](C)CCNC(=O)C(N)=O ZINC001492397813 893346234 /nfs/dbraw/zinc/34/62/34/893346234.db2.gz DCQHVNYZEXHGAY-UHFFFAOYSA-N 1 2 274.321 -2.328 20 0 CAADLO CCOCCNC(=O)C[N@@H+](C)CCNC(=O)C(N)=O ZINC001492397813 893346248 /nfs/dbraw/zinc/34/62/48/893346248.db2.gz DCQHVNYZEXHGAY-UHFFFAOYSA-N 1 2 274.321 -2.328 20 0 CAADLO CC(=O)N1CCC[C@@H](C(=O)NCC[N@@H+](C)CC(N)=O)C1 ZINC001492328711 893346592 /nfs/dbraw/zinc/34/65/92/893346592.db2.gz RYJQLCRNTPUKPG-LLVKDONJSA-N 1 2 284.360 -1.222 20 0 CAADLO CC(=O)N1CCC[C@@H](C(=O)NCC[N@H+](C)CC(N)=O)C1 ZINC001492328711 893346609 /nfs/dbraw/zinc/34/66/09/893346609.db2.gz RYJQLCRNTPUKPG-LLVKDONJSA-N 1 2 284.360 -1.222 20 0 CAADLO CC[C@@H](C)NC(=O)C[N@H+](C)CCNC(=O)c1nnn(C)n1 ZINC001492376493 893346786 /nfs/dbraw/zinc/34/67/86/893346786.db2.gz YXESXNFSSYSKNB-SECBINFHSA-N 1 2 297.363 -1.214 20 0 CAADLO CC[C@@H](C)NC(=O)C[N@@H+](C)CCNC(=O)c1nnn(C)n1 ZINC001492376493 893346805 /nfs/dbraw/zinc/34/68/05/893346805.db2.gz YXESXNFSSYSKNB-SECBINFHSA-N 1 2 297.363 -1.214 20 0 CAADLO C[N@H+](CCNC(=O)[C@@H]1CC[C@H]1C(N)=O)CC(=O)NC1CC1 ZINC001492369171 893347348 /nfs/dbraw/zinc/34/73/48/893347348.db2.gz CLLGINQOXJJKOF-GHMZBOCLSA-N 1 2 296.371 -1.176 20 0 CAADLO C[N@@H+](CCNC(=O)[C@@H]1CC[C@H]1C(N)=O)CC(=O)NC1CC1 ZINC001492369171 893347366 /nfs/dbraw/zinc/34/73/66/893347366.db2.gz CLLGINQOXJJKOF-GHMZBOCLSA-N 1 2 296.371 -1.176 20 0 CAADLO CNC(=O)C[N@H+](C)CCNC(=O)[C@H]1CCNC1=O ZINC001492369051 893347850 /nfs/dbraw/zinc/34/78/50/893347850.db2.gz AHMYPIIRBVFXAX-QMMMGPOBSA-N 1 2 256.306 -2.084 20 0 CAADLO CNC(=O)C[N@@H+](C)CCNC(=O)[C@H]1CCNC1=O ZINC001492369051 893347867 /nfs/dbraw/zinc/34/78/67/893347867.db2.gz AHMYPIIRBVFXAX-QMMMGPOBSA-N 1 2 256.306 -2.084 20 0 CAADLO CCNC(=O)C[N@H+](C)CCNC(=O)[C@]1(C)CCNC1=O ZINC001492413632 893348768 /nfs/dbraw/zinc/34/87/68/893348768.db2.gz BMNRBDZCZIKFFP-CYBMUJFWSA-N 1 2 284.360 -1.303 20 0 CAADLO CCNC(=O)C[N@@H+](C)CCNC(=O)[C@]1(C)CCNC1=O ZINC001492413632 893348784 /nfs/dbraw/zinc/34/87/84/893348784.db2.gz BMNRBDZCZIKFFP-CYBMUJFWSA-N 1 2 284.360 -1.303 20 0 CAADLO CNC(=O)C[N@H+](C)CCNC(=O)c1c[nH]c(=O)n1C ZINC001492373533 893349052 /nfs/dbraw/zinc/34/90/52/893349052.db2.gz RCEWDMGPWVXRAV-UHFFFAOYSA-N 1 2 269.305 -1.467 20 0 CAADLO CNC(=O)C[N@@H+](C)CCNC(=O)c1c[nH]c(=O)n1C ZINC001492373533 893349069 /nfs/dbraw/zinc/34/90/69/893349069.db2.gz RCEWDMGPWVXRAV-UHFFFAOYSA-N 1 2 269.305 -1.467 20 0 CAADLO CCN(C)C(=O)C[N@H+](C)CCNC(=O)[C@@H]1CCNC1=O ZINC001492369872 893349310 /nfs/dbraw/zinc/34/93/10/893349310.db2.gz NESZMDMNSDKZIC-SNVBAGLBSA-N 1 2 284.360 -1.351 20 0 CAADLO CCN(C)C(=O)C[N@@H+](C)CCNC(=O)[C@@H]1CCNC1=O ZINC001492369872 893349331 /nfs/dbraw/zinc/34/93/31/893349331.db2.gz NESZMDMNSDKZIC-SNVBAGLBSA-N 1 2 284.360 -1.351 20 0 CAADLO CNC(=O)C[N@H+](C)CCNC(=O)C1(C(=O)NC)CC1 ZINC001492453428 893352972 /nfs/dbraw/zinc/35/29/72/893352972.db2.gz GWNRHXVLPLXUQJ-UHFFFAOYSA-N 1 2 270.333 -1.693 20 0 CAADLO CNC(=O)C[N@@H+](C)CCNC(=O)C1(C(=O)NC)CC1 ZINC001492453428 893352988 /nfs/dbraw/zinc/35/29/88/893352988.db2.gz GWNRHXVLPLXUQJ-UHFFFAOYSA-N 1 2 270.333 -1.693 20 0 CAADLO Cc1cc(C(=O)NCC[N@@H+](C)CC(N)=O)ncc1C(N)=O ZINC001492428945 893353400 /nfs/dbraw/zinc/35/34/00/893353400.db2.gz SHVYSEGNIKWPKX-UHFFFAOYSA-N 1 2 293.327 -1.364 20 0 CAADLO Cc1cc(C(=O)NCC[N@H+](C)CC(N)=O)ncc1C(N)=O ZINC001492428945 893353413 /nfs/dbraw/zinc/35/34/13/893353413.db2.gz SHVYSEGNIKWPKX-UHFFFAOYSA-N 1 2 293.327 -1.364 20 0 CAADLO C[N@H+](CCNC(=O)[C@@H]1CCCCN1C(N)=O)CC(N)=O ZINC001492493877 893353995 /nfs/dbraw/zinc/35/39/95/893353995.db2.gz HAMXTXRUEHYFHJ-VIFPVBQESA-N 1 2 285.348 -1.547 20 0 CAADLO C[N@@H+](CCNC(=O)[C@@H]1CCCCN1C(N)=O)CC(N)=O ZINC001492493877 893354011 /nfs/dbraw/zinc/35/40/11/893354011.db2.gz HAMXTXRUEHYFHJ-VIFPVBQESA-N 1 2 285.348 -1.547 20 0 CAADLO CNC(=O)C[N@H+](C)CCNC(=O)CCn1cnccc1=O ZINC001492476578 893355454 /nfs/dbraw/zinc/35/54/54/893355454.db2.gz ZEGZYPAFKOZRPH-UHFFFAOYSA-N 1 2 295.343 -1.573 20 0 CAADLO CNC(=O)C[N@@H+](C)CCNC(=O)CCn1cnccc1=O ZINC001492476578 893355472 /nfs/dbraw/zinc/35/54/72/893355472.db2.gz ZEGZYPAFKOZRPH-UHFFFAOYSA-N 1 2 295.343 -1.573 20 0 CAADLO C[C@H](NS(C)(=O)=O)C(=O)NCC[N@H+](C)CC(N)=O ZINC001492430756 893355860 /nfs/dbraw/zinc/35/58/60/893355860.db2.gz KJSNCCNMEODWEI-ZETCQYMHSA-N 1 2 280.350 -2.543 20 0 CAADLO C[C@H](NS(C)(=O)=O)C(=O)NCC[N@@H+](C)CC(N)=O ZINC001492430756 893355883 /nfs/dbraw/zinc/35/58/83/893355883.db2.gz KJSNCCNMEODWEI-ZETCQYMHSA-N 1 2 280.350 -2.543 20 0 CAADLO CNC(=O)C[N@H+](C)CCNC(=O)Cn1ccc(C)cc1=O ZINC001492438310 893356463 /nfs/dbraw/zinc/35/64/63/893356463.db2.gz ZYJKJZZIHOEZQP-UHFFFAOYSA-N 1 2 294.355 -1.049 20 0 CAADLO CNC(=O)C[N@@H+](C)CCNC(=O)Cn1ccc(C)cc1=O ZINC001492438310 893356476 /nfs/dbraw/zinc/35/64/76/893356476.db2.gz ZYJKJZZIHOEZQP-UHFFFAOYSA-N 1 2 294.355 -1.049 20 0 CAADLO CNC(=O)C[N@H+](C)CCNC(=O)CS(=O)(=O)NC ZINC001492860135 893358279 /nfs/dbraw/zinc/35/82/79/893358279.db2.gz SNSUFCQKXOFDMH-UHFFFAOYSA-N 1 2 280.350 -2.670 20 0 CAADLO CNC(=O)C[N@@H+](C)CCNC(=O)CS(=O)(=O)NC ZINC001492860135 893358301 /nfs/dbraw/zinc/35/83/01/893358301.db2.gz SNSUFCQKXOFDMH-UHFFFAOYSA-N 1 2 280.350 -2.670 20 0 CAADLO C[N@H+](CCNC(=O)CCCC(N)=O)CC(=O)N1CCC1 ZINC001492895563 893360674 /nfs/dbraw/zinc/36/06/74/893360674.db2.gz XBGLKTBABUDIJL-UHFFFAOYSA-N 1 2 284.360 -1.078 20 0 CAADLO C[N@@H+](CCNC(=O)CCCC(N)=O)CC(=O)N1CCC1 ZINC001492895563 893360687 /nfs/dbraw/zinc/36/06/87/893360687.db2.gz XBGLKTBABUDIJL-UHFFFAOYSA-N 1 2 284.360 -1.078 20 0 CAADLO CC[N@H+](CCNC(=O)[C@H]1CCNC1=O)Cc1cnnn1C ZINC001493000734 893365734 /nfs/dbraw/zinc/36/57/34/893365734.db2.gz NZILZDUVAAQYRS-NSHDSACASA-N 1 2 294.359 -1.111 20 0 CAADLO CC[N@@H+](CCNC(=O)[C@H]1CCNC1=O)Cc1cnnn1C ZINC001493000734 893365754 /nfs/dbraw/zinc/36/57/54/893365754.db2.gz NZILZDUVAAQYRS-NSHDSACASA-N 1 2 294.359 -1.111 20 0 CAADLO CCN(CCCNC(=O)Cc1[nH]cc[nH+]1)C(=O)C(N)=O ZINC001493007814 893366582 /nfs/dbraw/zinc/36/65/82/893366582.db2.gz VSZTUPLBHRNSOC-UHFFFAOYSA-N 1 2 281.316 -1.208 20 0 CAADLO CC[N@H+](CCNC(=O)Cc1n[nH]c(C)n1)[C@@H](C)C(N)=O ZINC001492950424 893370745 /nfs/dbraw/zinc/37/07/45/893370745.db2.gz REHMFFSWRJBNAE-QMMMGPOBSA-N 1 2 282.348 -1.032 20 0 CAADLO CC[N@@H+](CCNC(=O)Cc1n[nH]c(C)n1)[C@@H](C)C(N)=O ZINC001492950424 893370761 /nfs/dbraw/zinc/37/07/61/893370761.db2.gz REHMFFSWRJBNAE-QMMMGPOBSA-N 1 2 282.348 -1.032 20 0 CAADLO CC[N@H+](CCNC(=O)c1cn[nH]n1)[C@@H]1CCNC1=O ZINC001492982236 893371364 /nfs/dbraw/zinc/37/13/64/893371364.db2.gz MKNCRNRQJXYLGN-SECBINFHSA-N 1 2 266.305 -1.255 20 0 CAADLO CC[N@@H+](CCNC(=O)c1cn[nH]n1)[C@@H]1CCNC1=O ZINC001492982236 893371388 /nfs/dbraw/zinc/37/13/88/893371388.db2.gz MKNCRNRQJXYLGN-SECBINFHSA-N 1 2 266.305 -1.255 20 0 CAADLO CC[N@H+](CCNC(=O)c1cnn[nH]1)[C@@H]1CCNC1=O ZINC001492982236 893371395 /nfs/dbraw/zinc/37/13/95/893371395.db2.gz MKNCRNRQJXYLGN-SECBINFHSA-N 1 2 266.305 -1.255 20 0 CAADLO CC[N@@H+](CCNC(=O)c1cnn[nH]1)[C@@H]1CCNC1=O ZINC001492982236 893371413 /nfs/dbraw/zinc/37/14/13/893371413.db2.gz MKNCRNRQJXYLGN-SECBINFHSA-N 1 2 266.305 -1.255 20 0 CAADLO CC[N@H+](CCNC(=O)c1nnc[nH]1)[C@H](C)C(=O)NC ZINC001493033034 893373494 /nfs/dbraw/zinc/37/34/94/893373494.db2.gz JPZLTQWICKDHSE-MRVPVSSYSA-N 1 2 268.321 -1.009 20 0 CAADLO CC[N@@H+](CCNC(=O)c1nnc[nH]1)[C@H](C)C(=O)NC ZINC001493033034 893373509 /nfs/dbraw/zinc/37/35/09/893373509.db2.gz JPZLTQWICKDHSE-MRVPVSSYSA-N 1 2 268.321 -1.009 20 0 CAADLO CC[N@H+](CCNC(=O)c1ncn[nH]1)[C@H](C)C(=O)NC ZINC001493033034 893373530 /nfs/dbraw/zinc/37/35/30/893373530.db2.gz JPZLTQWICKDHSE-MRVPVSSYSA-N 1 2 268.321 -1.009 20 0 CAADLO CC[N@@H+](CCNC(=O)c1ncn[nH]1)[C@H](C)C(=O)NC ZINC001493033034 893373551 /nfs/dbraw/zinc/37/35/51/893373551.db2.gz JPZLTQWICKDHSE-MRVPVSSYSA-N 1 2 268.321 -1.009 20 0 CAADLO CC[N@H+](CCNC(=O)c1nc[nH]n1)[C@H](C)C(=O)NC ZINC001493033034 893373570 /nfs/dbraw/zinc/37/35/70/893373570.db2.gz JPZLTQWICKDHSE-MRVPVSSYSA-N 1 2 268.321 -1.009 20 0 CAADLO CC[N@@H+](CCNC(=O)c1nc[nH]n1)[C@H](C)C(=O)NC ZINC001493033034 893373589 /nfs/dbraw/zinc/37/35/89/893373589.db2.gz JPZLTQWICKDHSE-MRVPVSSYSA-N 1 2 268.321 -1.009 20 0 CAADLO NC(=O)NC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccn[nH]1 ZINC001493081135 893374912 /nfs/dbraw/zinc/37/49/12/893374912.db2.gz PSOKGSCAUBYUOY-MRVPVSSYSA-N 1 2 294.315 -1.201 20 0 CAADLO NC(=O)NC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccn[nH]1 ZINC001493081135 893374930 /nfs/dbraw/zinc/37/49/30/893374930.db2.gz PSOKGSCAUBYUOY-MRVPVSSYSA-N 1 2 294.315 -1.201 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)Cc1nc[nH]n1 ZINC001493150891 893376075 /nfs/dbraw/zinc/37/60/75/893376075.db2.gz XRQPEAUXAIBQHU-MRVPVSSYSA-N 1 2 266.305 -1.587 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)Cc1nc[nH]n1 ZINC001493150891 893376091 /nfs/dbraw/zinc/37/60/91/893376091.db2.gz XRQPEAUXAIBQHU-MRVPVSSYSA-N 1 2 266.305 -1.587 20 0 CAADLO CC[N@H+](CCNC(=O)CCNC(N)=O)Cc1cnnn1C ZINC001493056038 893376677 /nfs/dbraw/zinc/37/66/77/893376677.db2.gz PWMXSQLLFNJTFF-UHFFFAOYSA-N 1 2 297.363 -1.188 20 0 CAADLO CC[N@@H+](CCNC(=O)CCNC(N)=O)Cc1cnnn1C ZINC001493056038 893376694 /nfs/dbraw/zinc/37/66/94/893376694.db2.gz PWMXSQLLFNJTFF-UHFFFAOYSA-N 1 2 297.363 -1.188 20 0 CAADLO NC(=O)C(=O)N(CCCNC(=O)Cn1cc[nH+]c1)C1CC1 ZINC001493086279 893378520 /nfs/dbraw/zinc/37/85/20/893378520.db2.gz XSRUQIJCVBFPRE-UHFFFAOYSA-N 1 2 293.327 -1.134 20 0 CAADLO C[C@H](c1nnnn1C)[N@@H+]1CC[C@@H](CNC(=O)C(N)=O)C1 ZINC001493228278 893380112 /nfs/dbraw/zinc/38/01/12/893380112.db2.gz BKEGKNQPVODHDU-SFYZADRCSA-N 1 2 281.320 -1.806 20 0 CAADLO C[C@H](c1nnnn1C)[N@H+]1CC[C@@H](CNC(=O)C(N)=O)C1 ZINC001493228278 893380125 /nfs/dbraw/zinc/38/01/25/893380125.db2.gz BKEGKNQPVODHDU-SFYZADRCSA-N 1 2 281.320 -1.806 20 0 CAADLO CCC(=O)NCC[N@H+](CC(=O)N1CCNC(=O)C1)C1CC1 ZINC001493337594 893386928 /nfs/dbraw/zinc/38/69/28/893386928.db2.gz TYLWTORCNGTHHX-UHFFFAOYSA-N 1 2 296.371 -1.065 20 0 CAADLO CCC(=O)NCC[N@@H+](CC(=O)N1CCNC(=O)C1)C1CC1 ZINC001493337594 893386943 /nfs/dbraw/zinc/38/69/43/893386943.db2.gz TYLWTORCNGTHHX-UHFFFAOYSA-N 1 2 296.371 -1.065 20 0 CAADLO NC(=O)CC(=O)N1CC[C@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001493310403 893389633 /nfs/dbraw/zinc/38/96/33/893389633.db2.gz HGSVNEJMIPKHND-JTQLQIEISA-N 1 2 293.327 -1.065 20 0 CAADLO NC(=O)CC(=O)N1CC[C@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001493310403 893389647 /nfs/dbraw/zinc/38/96/47/893389647.db2.gz HGSVNEJMIPKHND-JTQLQIEISA-N 1 2 293.327 -1.065 20 0 CAADLO NC(=O)CC(=O)N[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001493249560 893390559 /nfs/dbraw/zinc/39/05/59/893390559.db2.gz NJOGWNACMPLGTJ-QMMMGPOBSA-N 1 2 279.300 -1.455 20 0 CAADLO Cc1nn[nH]c1C(=O)NCC[N@H+](CC(N)=O)C1CC1 ZINC001493397024 893396205 /nfs/dbraw/zinc/39/62/05/893396205.db2.gz DYRVSBFVTYEEEE-UHFFFAOYSA-N 1 2 266.305 -1.207 20 0 CAADLO Cc1nn[nH]c1C(=O)NCC[N@@H+](CC(N)=O)C1CC1 ZINC001493397024 893396221 /nfs/dbraw/zinc/39/62/21/893396221.db2.gz DYRVSBFVTYEEEE-UHFFFAOYSA-N 1 2 266.305 -1.207 20 0 CAADLO NC(=O)CC(=O)N[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)C1CC1 ZINC001493671501 893410216 /nfs/dbraw/zinc/41/02/16/893410216.db2.gz MPIJWGBPJRELBJ-VIFPVBQESA-N 1 2 293.327 -1.161 20 0 CAADLO CN(CC[NH2+]Cc1nc(=O)n(C)[nH]1)C(=O)c1nnn(C)n1 ZINC001493658035 893410345 /nfs/dbraw/zinc/41/03/45/893410345.db2.gz SPDVPMGRXKMUIN-UHFFFAOYSA-N 1 2 295.307 -2.506 20 0 CAADLO NC(=O)CC(=O)N[C@H](CNC(=O)Cc1[nH]cc[nH+]1)C1CC1 ZINC001493671496 893411843 /nfs/dbraw/zinc/41/18/43/893411843.db2.gz MPIJWGBPJRELBJ-SECBINFHSA-N 1 2 293.327 -1.161 20 0 CAADLO CN(CC[NH2+][C@H]1CCC(=O)NC1=O)C(=O)Cc1ncn[nH]1 ZINC001493759048 893414697 /nfs/dbraw/zinc/41/46/97/893414697.db2.gz UWTWUTOPAWBXKV-QMMMGPOBSA-N 1 2 294.315 -1.800 20 0 CAADLO CN(CC[NH2+]CC(=O)NC1CC1)C(=O)Cc1ncn[nH]1 ZINC001493758257 893415486 /nfs/dbraw/zinc/41/54/86/893415486.db2.gz CYBPQGJRDVLOAZ-UHFFFAOYSA-N 1 2 280.332 -1.326 20 0 CAADLO CCCN(C(=O)CNC(C)=O)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001493940150 893418799 /nfs/dbraw/zinc/41/87/99/893418799.db2.gz XGZOUWNPDHLFPE-LLVKDONJSA-N 1 2 284.360 -1.079 20 0 CAADLO CCCN(C(=O)CNC(C)=O)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001493940150 893418807 /nfs/dbraw/zinc/41/88/07/893418807.db2.gz XGZOUWNPDHLFPE-LLVKDONJSA-N 1 2 284.360 -1.079 20 0 CAADLO Cn1nnnc1C[N@@H+]1CC[C@H](CCNC(=O)CC(N)=O)C1 ZINC001493998480 893421612 /nfs/dbraw/zinc/42/16/12/893421612.db2.gz DTORDBXMEAQKDJ-VIFPVBQESA-N 1 2 295.347 -1.586 20 0 CAADLO Cn1nnnc1C[N@H+]1CC[C@H](CCNC(=O)CC(N)=O)C1 ZINC001493998480 893421620 /nfs/dbraw/zinc/42/16/20/893421620.db2.gz DTORDBXMEAQKDJ-VIFPVBQESA-N 1 2 295.347 -1.586 20 0 CAADLO CC(=O)N(C)CC[NH+]1CCN([C@H](C)C(=O)NC(N)=O)CC1 ZINC001494083928 893421868 /nfs/dbraw/zinc/42/18/68/893421868.db2.gz AUJISMAMMJGCTR-SNVBAGLBSA-N 1 2 299.375 -1.334 20 0 CAADLO NC(=O)CC(=O)N[C@H]1C[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001494011969 893422759 /nfs/dbraw/zinc/42/27/59/893422759.db2.gz HNOSSMNUCXZTDV-MGCOHNPYSA-N 1 2 293.327 -1.088 20 0 CAADLO CCCN(C(=O)CCNC(N)=O)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001493972169 893423075 /nfs/dbraw/zinc/42/30/75/893423075.db2.gz BCJTZQWAZHPFSI-JTQLQIEISA-N 1 2 299.375 -1.157 20 0 CAADLO CCCN(C(=O)CCNC(N)=O)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001493972169 893423081 /nfs/dbraw/zinc/42/30/81/893423081.db2.gz BCJTZQWAZHPFSI-JTQLQIEISA-N 1 2 299.375 -1.157 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CCC[C@H](NC(=O)C(=O)NCC2CC2)C1 ZINC001494327144 893425760 /nfs/dbraw/zinc/42/57/60/893425760.db2.gz UNGQSHNWDDVTOX-ONGXEEELSA-N 1 2 296.371 -1.033 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CCC[C@H](NC(=O)C(=O)NCC2CC2)C1 ZINC001494327144 893425767 /nfs/dbraw/zinc/42/57/67/893425767.db2.gz UNGQSHNWDDVTOX-ONGXEEELSA-N 1 2 296.371 -1.033 20 0 CAADLO CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)C2(C(N)=O)CC2)C1 ZINC001494285125 893425852 /nfs/dbraw/zinc/42/58/52/893425852.db2.gz SEWQLALHXRYPDP-SNVBAGLBSA-N 1 2 296.371 -1.031 20 0 CAADLO CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)C2(C(N)=O)CC2)C1 ZINC001494285125 893425860 /nfs/dbraw/zinc/42/58/60/893425860.db2.gz SEWQLALHXRYPDP-SNVBAGLBSA-N 1 2 296.371 -1.031 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(NC(=O)c2cn[nH]c2)C1 ZINC001494345608 893428896 /nfs/dbraw/zinc/42/88/96/893428896.db2.gz DIXJGBMFBDNHCF-JTQLQIEISA-N 1 2 254.290 -1.169 20 0 CAADLO COCCOC[C@@H](O)C[NH+]1CC(NC(=O)c2cn[nH]c2)C1 ZINC001494346221 893429423 /nfs/dbraw/zinc/42/94/23/893429423.db2.gz HNZQDZARIXTLKB-LBPRGKRZSA-N 1 2 298.343 -1.152 20 0 CAADLO COC[C@H](O)C[NH+]1CC(NC(=O)c2cn(C)cn2)C1 ZINC001494371200 893430215 /nfs/dbraw/zinc/43/02/15/893430215.db2.gz OEGNFSLZSSPMBU-SNVBAGLBSA-N 1 2 268.317 -1.159 20 0 CAADLO O=C(C[C@@H]1CCNC1=O)NC1C[NH+](CCOCCO)C1 ZINC001494399319 893432035 /nfs/dbraw/zinc/43/20/35/893432035.db2.gz WQQVILDFJOMBQY-JTQLQIEISA-N 1 2 285.344 -1.678 20 0 CAADLO CNS(=O)(=O)CCC(=O)NC1C[NH+](CCCO)C1 ZINC001494386531 893433613 /nfs/dbraw/zinc/43/36/13/893433613.db2.gz MPGRAKCHZVCLCK-UHFFFAOYSA-N 1 2 279.362 -1.892 20 0 CAADLO COCCOCC[NH+]1CC(NC(=O)Cn2ncnn2)C1 ZINC001494386337 893433710 /nfs/dbraw/zinc/43/37/10/893433710.db2.gz GKCDCNYSKGGJRC-UHFFFAOYSA-N 1 2 284.320 -1.864 20 0 CAADLO CC(=O)NCC(=O)NCC(=O)NC1C[NH+](CCO)C1 ZINC001494405157 893433853 /nfs/dbraw/zinc/43/38/53/893433853.db2.gz BLAZHOARALQAMP-UHFFFAOYSA-N 1 2 272.305 -2.969 20 0 CAADLO O=C(NC1C[NH+](CCOCCO)C1)[C@H]1CCNC1=O ZINC001494432151 893435092 /nfs/dbraw/zinc/43/50/92/893435092.db2.gz GBMNNSAOIKCXNP-JTQLQIEISA-N 1 2 271.317 -2.068 20 0 CAADLO Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)NC1C[NH+](CCO)C1 ZINC001494427684 893435302 /nfs/dbraw/zinc/43/53/02/893435302.db2.gz GFDNMNZSDOGXED-UHFFFAOYSA-N 1 2 296.327 -1.078 20 0 CAADLO C[C@@H](O)C[NH+]1CC(NC(=O)CCn2ncn(C)c2=O)C1 ZINC001494422362 893436623 /nfs/dbraw/zinc/43/66/23/893436623.db2.gz AWPWSNPIQPVYOX-SECBINFHSA-N 1 2 283.332 -1.847 20 0 CAADLO C[C@H](O)CCC[NH+]1CC(NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001494446453 893437623 /nfs/dbraw/zinc/43/76/23/893437623.db2.gz CIKNRJBRAIOJHM-ZMLRMANQSA-N 1 2 299.371 -1.019 20 0 CAADLO C[C@@H](O)CCC[NH+]1CC(NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001494446452 893437674 /nfs/dbraw/zinc/43/76/74/893437674.db2.gz CIKNRJBRAIOJHM-ADEWGFFLSA-N 1 2 299.371 -1.019 20 0 CAADLO CCOCC[NH+]1CC(NC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001494455710 893438145 /nfs/dbraw/zinc/43/81/45/893438145.db2.gz FQEHEZJXIAFJLW-VIFPVBQESA-N 1 2 284.316 -1.579 20 0 CAADLO Cn1c[nH+]cc1CC(=O)NC1CN(CC(=O)NC(N)=O)C1 ZINC001494484915 893438508 /nfs/dbraw/zinc/43/85/08/893438508.db2.gz OICYXIYZOWRYHF-UHFFFAOYSA-N 1 2 294.315 -2.042 20 0 CAADLO CCS(=O)(=O)N(C)CC(=O)NC1C[NH+](C[C@H](C)O)C1 ZINC001494474284 893438854 /nfs/dbraw/zinc/43/88/54/893438854.db2.gz YNWLMIBRQBUYCX-VIFPVBQESA-N 1 2 293.389 -1.551 20 0 CAADLO O=C(C[C@H]1CCC(=O)N1)NC1C[NH+](CCOCCO)C1 ZINC001494466862 893439219 /nfs/dbraw/zinc/43/92/19/893439219.db2.gz YYYCYCAYSXDEJV-SNVBAGLBSA-N 1 2 285.344 -1.536 20 0 CAADLO CNC(=O)C1(C(=O)NC2C[NH+](C[C@@H](O)COC)C2)CCC1 ZINC001494488381 893439354 /nfs/dbraw/zinc/43/93/54/893439354.db2.gz SZUJWHROQMRRGS-LLVKDONJSA-N 1 2 299.371 -1.290 20 0 CAADLO NC(=O)NC(=O)CN1CC(NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001494470773 893439454 /nfs/dbraw/zinc/43/94/54/893439454.db2.gz YAFKMNSMSBAAMT-UHFFFAOYSA-N 1 2 280.288 -2.053 20 0 CAADLO CCOCC[NH+]1CC(NC(=O)CN2CCC(=O)NC2=O)C1 ZINC001494478207 893439542 /nfs/dbraw/zinc/43/95/42/893439542.db2.gz WUAKABGOKPBLMC-UHFFFAOYSA-N 1 2 298.343 -1.235 20 0 CAADLO NS(=O)(=O)CCCCCC(=O)NC1C[NH+](CCO)C1 ZINC001494514434 893441259 /nfs/dbraw/zinc/44/12/59/893441259.db2.gz BMAOMNDYHIJDLB-UHFFFAOYSA-N 1 2 293.389 -1.372 20 0 CAADLO COCC(=O)NCC1C[NH+](CC(=O)NC2CCOCC2)C1 ZINC001494515712 893441505 /nfs/dbraw/zinc/44/15/05/893441505.db2.gz RGQWPYSQEHYOLO-UHFFFAOYSA-N 1 2 299.371 -1.024 20 0 CAADLO CCN(C)C(=O)C[NH+]1CC(CNC(=O)c2ncn(C)n2)C1 ZINC001494546273 893441640 /nfs/dbraw/zinc/44/16/40/893441640.db2.gz MXOFFOAFZLKSLP-UHFFFAOYSA-N 1 2 294.359 -1.045 20 0 CAADLO CCNC(=O)CCC(=O)NCC1C[NH+]([C@H](C)C(N)=O)C1 ZINC001494534340 893442132 /nfs/dbraw/zinc/44/21/32/893442132.db2.gz VTWNUAHKXPHTJA-SECBINFHSA-N 1 2 284.360 -1.176 20 0 CAADLO Cn1cc(CC(=O)NCC2C[NH+]([C@H]3CCNC3=O)C2)cn1 ZINC001494532777 893442172 /nfs/dbraw/zinc/44/21/72/893442172.db2.gz JMAMNCDRQXKMNR-LBPRGKRZSA-N 1 2 291.355 -1.101 20 0 CAADLO CNC(=O)C[NH+]1CC(CNC(=O)Cc2cc[nH]n2)C1 ZINC001494536643 893442198 /nfs/dbraw/zinc/44/21/98/893442198.db2.gz NJDVMWSGOVVHSW-UHFFFAOYSA-N 1 2 265.317 -1.254 20 0 CAADLO CCNC(=O)C[NH+]1CC(CNC(=O)CCn2cncn2)C1 ZINC001494523142 893442300 /nfs/dbraw/zinc/44/23/00/893442300.db2.gz BZUQWRJTMZTCCR-UHFFFAOYSA-N 1 2 294.359 -1.148 20 0 CAADLO CC(=O)N[C@H](C)C(=O)NCC1C[NH+](CC(N)=O)C1 ZINC001494519619 893442969 /nfs/dbraw/zinc/44/29/69/893442969.db2.gz ZWHPLQIMWHRPEC-SSDOTTSWSA-N 1 2 256.306 -1.956 20 0 CAADLO Cn1cc(CC(=O)NCC2C[NH+]([C@@H]3CCNC3=O)C2)cn1 ZINC001494532776 893443563 /nfs/dbraw/zinc/44/35/63/893443563.db2.gz JMAMNCDRQXKMNR-GFCCVEGCSA-N 1 2 291.355 -1.101 20 0 CAADLO CC(=O)NCC(=O)NCC1C[NH+](CC(=O)N(C)C)C1 ZINC001494516547 893443646 /nfs/dbraw/zinc/44/36/46/893443646.db2.gz BAJPXQKXOWWLMI-UHFFFAOYSA-N 1 2 270.333 -1.741 20 0 CAADLO O=C(CN1CCNC(=O)C1)NCC1C[NH+](CCF)C1 ZINC001494577946 893445057 /nfs/dbraw/zinc/44/50/57/893445057.db2.gz VCRLLAMMPFXBJZ-UHFFFAOYSA-N 1 2 272.324 -1.564 20 0 CAADLO C[C@]1(C(=O)NCC2C[NH+](CC(N)=O)C2)CCC(=O)NC1 ZINC001494583137 893445765 /nfs/dbraw/zinc/44/57/65/893445765.db2.gz FCOXICXAILUQQU-ZDUSSCGKSA-N 1 2 282.344 -1.564 20 0 CAADLO Cc1c[nH]nc1C(=O)NCC1C[NH+](CC(=O)NC(N)=O)C1 ZINC001494553756 893446210 /nfs/dbraw/zinc/44/62/10/893446210.db2.gz VDWDSEPTLFJZTE-UHFFFAOYSA-N 1 2 294.315 -1.425 20 0 CAADLO CNC(=O)C[NH+]1CC(CNC(=O)[C@@H](OC)[C@@H]2CCOC2)C1 ZINC001494575944 893446316 /nfs/dbraw/zinc/44/63/16/893446316.db2.gz SOAIVSLFJXHALJ-YPMHNXCESA-N 1 2 299.371 -1.168 20 0 CAADLO CCNC(=O)C[NH+]1CC(CNC(=O)c2c[nH]c(=O)cn2)C1 ZINC001494585865 893446401 /nfs/dbraw/zinc/44/64/01/893446401.db2.gz QNHFPBOEQAHQKL-UHFFFAOYSA-N 1 2 293.327 -1.432 20 0 CAADLO CNC(=O)C[NH+]1CC(CNC(=O)[C@H](OC)[C@@H]2CCOC2)C1 ZINC001494575942 893446993 /nfs/dbraw/zinc/44/69/93/893446993.db2.gz SOAIVSLFJXHALJ-DGCLKSJQSA-N 1 2 299.371 -1.168 20 0 CAADLO O=C(Cn1ncnn1)NCC1C[NH+](CC(=O)N2CCC2)C1 ZINC001494552829 893447229 /nfs/dbraw/zinc/44/72/29/893447229.db2.gz XEJXZDSKVPFBJC-UHFFFAOYSA-N 1 2 293.331 -2.047 20 0 CAADLO NC(=O)NC(=O)C[NH+]1CC(CNC(=O)c2ncc[nH]2)C1 ZINC001494553361 893447706 /nfs/dbraw/zinc/44/77/06/893447706.db2.gz QPIZIVSVYMEIOL-UHFFFAOYSA-N 1 2 280.288 -1.734 20 0 CAADLO O=C(Cn1cncn1)NCC1C[NH+](CC(=O)N2CCC2)C1 ZINC001494623913 893449788 /nfs/dbraw/zinc/44/97/88/893449788.db2.gz BDICAWDUYZMGJS-UHFFFAOYSA-N 1 2 292.343 -1.442 20 0 CAADLO O=C(NCC1C[NH+](CCNC(=O)C2CC2)C1)c1nnc[nH]1 ZINC001494608154 893450010 /nfs/dbraw/zinc/45/00/10/893450010.db2.gz AVSGIFQCRKHBKV-UHFFFAOYSA-N 1 2 292.343 -1.008 20 0 CAADLO CNC(=O)C[NH+]1CC(CNC(=O)[C@@H](CC(C)C)C(N)=O)C1 ZINC001494638555 893450353 /nfs/dbraw/zinc/45/03/53/893450353.db2.gz LKDXKXDRPIHPHJ-NSHDSACASA-N 1 2 298.387 -1.072 20 0 CAADLO CC(=O)NC1(C(=O)NCC2C[NH+](CC(N)=O)C2)CCCC1 ZINC001494602485 893450650 /nfs/dbraw/zinc/45/06/50/893450650.db2.gz FZUMSMWANCATBJ-UHFFFAOYSA-N 1 2 296.371 -1.031 20 0 CAADLO C[C@@H](C(N)=O)[NH+]1CC(CNC(=O)[C@]2(C)CCNC2=O)C1 ZINC001494593378 893450825 /nfs/dbraw/zinc/45/08/25/893450825.db2.gz QXKRESQSLFXXCS-ISVAXAHUSA-N 1 2 282.344 -1.566 20 0 CAADLO O=C(Cc1nnc[nH]1)NCC1C[NH+](CCOCCO)C1 ZINC001494616855 893450848 /nfs/dbraw/zinc/45/08/48/893450848.db2.gz OLDIJHAISWTRKK-UHFFFAOYSA-N 1 2 283.332 -1.596 20 0 CAADLO NC(=O)NCCC(=O)NCC1C[NH+](CC(=O)NC2CC2)C1 ZINC001494624480 893451103 /nfs/dbraw/zinc/45/11/03/893451103.db2.gz HLDGULBPOUEMOY-UHFFFAOYSA-N 1 2 297.359 -1.629 20 0 CAADLO C[C@]1(C(=O)NCC2C[NH+](CCO)C2)CCCS1(=O)=O ZINC001494604871 893451214 /nfs/dbraw/zinc/45/12/14/893451214.db2.gz YRVZEPYCJBFPIP-GFCCVEGCSA-N 1 2 290.385 -1.006 20 0 CAADLO Cn1ncc(C(=O)NCC2C[NH+](CC(=O)NC(N)=O)C2)n1 ZINC001494603930 893451228 /nfs/dbraw/zinc/45/12/28/893451228.db2.gz QZEIYDISVATSHD-UHFFFAOYSA-N 1 2 295.303 -2.328 20 0 CAADLO CNC(=O)C[NH+]1CC(CNC(=O)Cn2ccccc2=O)C1 ZINC001494626531 893451306 /nfs/dbraw/zinc/45/13/06/893451306.db2.gz CSDRZRMRSBOLEZ-UHFFFAOYSA-N 1 2 292.339 -1.358 20 0 CAADLO CC(C)NC(=O)C[NH+]1CC(CNC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001494629373 893451695 /nfs/dbraw/zinc/45/16/95/893451695.db2.gz ZQJBMVVURBLAJC-NSHDSACASA-N 1 2 296.371 -1.162 20 0 CAADLO COC[C@@H](OC)C(=O)NCC1C[NH+](CC(=O)N2CCC2)C1 ZINC001494589954 893451724 /nfs/dbraw/zinc/45/17/24/893451724.db2.gz CUYYABFCUKKTOC-GFCCVEGCSA-N 1 2 299.371 -1.072 20 0 CAADLO CC(C)NC(=O)C[N@@H+]1CC[C@H](NC(=O)C2(C(N)=O)CC2)C1 ZINC001494722379 893457590 /nfs/dbraw/zinc/45/75/90/893457590.db2.gz HPUFFZURFZCLLP-JTQLQIEISA-N 1 2 296.371 -1.033 20 0 CAADLO CC(C)NC(=O)C[N@H+]1CC[C@H](NC(=O)C2(C(N)=O)CC2)C1 ZINC001494722379 893457599 /nfs/dbraw/zinc/45/75/99/893457599.db2.gz HPUFFZURFZCLLP-JTQLQIEISA-N 1 2 296.371 -1.033 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CNC(C)=O)C1 ZINC001494742072 893457961 /nfs/dbraw/zinc/45/79/61/893457961.db2.gz TWHYLLLFHVCBBL-SECBINFHSA-N 1 2 256.306 -1.941 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)CNC(C)=O)C1 ZINC001494742072 893457969 /nfs/dbraw/zinc/45/79/69/893457969.db2.gz TWHYLLLFHVCBBL-SECBINFHSA-N 1 2 256.306 -1.941 20 0 CAADLO NC(=O)CC(=O)N[C@@H]1CC[N@H+](CC(=O)NCC2CCC2)C1 ZINC001494750079 893458393 /nfs/dbraw/zinc/45/83/93/893458393.db2.gz AMBPHKFDDZSMSR-LLVKDONJSA-N 1 2 296.371 -1.031 20 0 CAADLO NC(=O)CC(=O)N[C@@H]1CC[N@@H+](CC(=O)NCC2CCC2)C1 ZINC001494750079 893458396 /nfs/dbraw/zinc/45/83/96/893458396.db2.gz AMBPHKFDDZSMSR-LLVKDONJSA-N 1 2 296.371 -1.031 20 0 CAADLO CNC(=O)C1(C(=O)N[C@H]2CC[N@H+](CC(N)=O)C2)CCC1 ZINC001494732888 893459365 /nfs/dbraw/zinc/45/93/65/893459365.db2.gz WKCHGXMUYQTHKH-VIFPVBQESA-N 1 2 282.344 -1.422 20 0 CAADLO CNC(=O)C1(C(=O)N[C@H]2CC[N@@H+](CC(N)=O)C2)CCC1 ZINC001494732888 893459374 /nfs/dbraw/zinc/45/93/74/893459374.db2.gz WKCHGXMUYQTHKH-VIFPVBQESA-N 1 2 282.344 -1.422 20 0 CAADLO CNC(=O)CC(=O)N[C@@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001494798480 893460663 /nfs/dbraw/zinc/46/06/63/893460663.db2.gz RQUMQLPTANXHPV-VIFPVBQESA-N 1 2 281.316 -1.360 20 0 CAADLO C[C@H](NC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)C(N)=O)C1)C1CC1 ZINC001494841021 893460783 /nfs/dbraw/zinc/46/07/83/893460783.db2.gz DDSSWLHTQYHYBA-GXSJLCMTSA-N 1 2 296.371 -1.081 20 0 CAADLO C[C@H](NC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)C(N)=O)C1)C1CC1 ZINC001494841021 893460785 /nfs/dbraw/zinc/46/07/85/893460785.db2.gz DDSSWLHTQYHYBA-GXSJLCMTSA-N 1 2 296.371 -1.081 20 0 CAADLO CCN(C(=O)Cn1cnnn1)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001494880937 893461219 /nfs/dbraw/zinc/46/12/19/893461219.db2.gz NTTORHUQPGJYQI-SECBINFHSA-N 1 2 281.320 -1.919 20 0 CAADLO CCN(C(=O)Cn1cnnn1)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001494880937 893461233 /nfs/dbraw/zinc/46/12/33/893461233.db2.gz NTTORHUQPGJYQI-SECBINFHSA-N 1 2 281.320 -1.919 20 0 CAADLO CN(C(=O)CC(N)=O)[C@@H]1CC[N@H+](Cc2nc(=O)n(C)[nH]2)C1 ZINC001494815131 893462472 /nfs/dbraw/zinc/46/24/72/893462472.db2.gz VYGDNBFWXZHABP-MRVPVSSYSA-N 1 2 296.331 -1.984 20 0 CAADLO CN(C(=O)CC(N)=O)[C@@H]1CC[N@@H+](Cc2nc(=O)n(C)[nH]2)C1 ZINC001494815131 893462476 /nfs/dbraw/zinc/46/24/76/893462476.db2.gz VYGDNBFWXZHABP-MRVPVSSYSA-N 1 2 296.331 -1.984 20 0 CAADLO CNC(=O)CC(=O)N[C@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001494798479 893462670 /nfs/dbraw/zinc/46/26/70/893462670.db2.gz RQUMQLPTANXHPV-SECBINFHSA-N 1 2 281.316 -1.360 20 0 CAADLO CN(C(=O)CC(N)=O)[C@H]1CC[N@H+](Cc2nc(=O)n(C)[nH]2)C1 ZINC001494815132 893462785 /nfs/dbraw/zinc/46/27/85/893462785.db2.gz VYGDNBFWXZHABP-QMMMGPOBSA-N 1 2 296.331 -1.984 20 0 CAADLO CN(C(=O)CC(N)=O)[C@H]1CC[N@@H+](Cc2nc(=O)n(C)[nH]2)C1 ZINC001494815132 893462790 /nfs/dbraw/zinc/46/27/90/893462790.db2.gz VYGDNBFWXZHABP-QMMMGPOBSA-N 1 2 296.331 -1.984 20 0 CAADLO C[C@H](NC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)C(N)=O)C1)C1CC1 ZINC001494841024 893462825 /nfs/dbraw/zinc/46/28/25/893462825.db2.gz DDSSWLHTQYHYBA-ONGXEEELSA-N 1 2 296.371 -1.081 20 0 CAADLO C[C@H](NC(=O)C[N@H+]1CC[C@H](N(C)C(=O)C(N)=O)C1)C1CC1 ZINC001494841024 893462830 /nfs/dbraw/zinc/46/28/30/893462830.db2.gz DDSSWLHTQYHYBA-ONGXEEELSA-N 1 2 296.371 -1.081 20 0 CAADLO C[C@@H](CNC(=O)Cn1cc[nH+]c1)NC(=O)C(N)=O ZINC001494798708 893463342 /nfs/dbraw/zinc/46/33/42/893463342.db2.gz XWLNQUKDAZNYJU-ZETCQYMHSA-N 1 2 253.262 -2.011 20 0 CAADLO CNC(=O)CC(=O)N[C@@H](C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001494997417 893469752 /nfs/dbraw/zinc/46/97/52/893469752.db2.gz XKCPJSHUIMOVML-QMMMGPOBSA-N 1 2 281.316 -1.291 20 0 CAADLO CNC(=O)CC(=O)N[C@H](C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001494997416 893470018 /nfs/dbraw/zinc/47/00/18/893470018.db2.gz XKCPJSHUIMOVML-MRVPVSSYSA-N 1 2 281.316 -1.291 20 0 CAADLO CC[C@H](CNC(=O)C(N)=O)[NH2+]Cc1nc(C)no1 ZINC001495051962 893471706 /nfs/dbraw/zinc/47/17/06/893471706.db2.gz WPANBFBMFZAEKN-SSDOTTSWSA-N 1 2 255.278 -1.152 20 0 CAADLO CC[C@H](CNC(=O)C(N)=O)[NH2+]Cc1nnnn1C(C)(C)C ZINC001495049147 893473374 /nfs/dbraw/zinc/47/33/74/893473374.db2.gz HQSJMGIUHDYZCK-MRVPVSSYSA-N 1 2 297.363 -1.102 20 0 CAADLO Cn1[nH]c(C[NH2+]C[C@@](C)(NC(=O)C(N)=O)C2CC2)nc1=O ZINC001495283034 893475343 /nfs/dbraw/zinc/47/53/43/893475343.db2.gz ZEDYHYWQPWHMEV-GFCCVEGCSA-N 1 2 296.331 -2.032 20 0 CAADLO Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]1CCN(C(=O)C(N)=O)C1 ZINC001495289496 893476080 /nfs/dbraw/zinc/47/60/80/893476080.db2.gz GEQLVKFMGGAIBF-VIFPVBQESA-N 1 2 293.327 -1.289 20 0 CAADLO Cn1nnc(C[NH2+]CC[C@@H]2CCCN(C(=O)C(N)=O)C2)n1 ZINC001495378186 893478562 /nfs/dbraw/zinc/47/85/62/893478562.db2.gz IBGRJAIRPDWMGI-VIFPVBQESA-N 1 2 295.347 -1.586 20 0 CAADLO NC(=O)C(=O)N1CC[C@H](CNC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001495289985 893480013 /nfs/dbraw/zinc/48/00/13/893480013.db2.gz KTDSJEJGWWISHW-SECBINFHSA-N 1 2 293.327 -1.208 20 0 CAADLO C[C@H](CNC(=O)c1cn[nH]n1)C[NH2+]Cc1nnn(C)n1 ZINC001495697113 893486204 /nfs/dbraw/zinc/48/62/04/893486204.db2.gz PFKDOPCLRSEAMA-ZETCQYMHSA-N 1 2 279.308 -1.516 20 0 CAADLO C[C@@H](O)C[N@@H+]1CCO[C@@H](CNC(=O)CCc2nnc[nH]2)C1 ZINC001495840884 893490756 /nfs/dbraw/zinc/49/07/56/893490756.db2.gz QOBKRVKDGXKAGH-MNOVXSKESA-N 1 2 297.359 -1.065 20 0 CAADLO C[C@@H](O)C[N@H+]1CCO[C@@H](CNC(=O)CCc2nnc[nH]2)C1 ZINC001495840884 893490766 /nfs/dbraw/zinc/49/07/66/893490766.db2.gz QOBKRVKDGXKAGH-MNOVXSKESA-N 1 2 297.359 -1.065 20 0 CAADLO C[C@@H](C(=O)NC[C@H]1C[N@H+](CCO)CCO1)n1cncn1 ZINC001495840621 893490940 /nfs/dbraw/zinc/49/09/40/893490940.db2.gz MKLPGXMRBHCYSZ-QWRGUYRKSA-N 1 2 283.332 -1.352 20 0 CAADLO C[C@@H](C(=O)NC[C@H]1C[N@@H+](CCO)CCO1)n1cncn1 ZINC001495840621 893490960 /nfs/dbraw/zinc/49/09/60/893490960.db2.gz MKLPGXMRBHCYSZ-QWRGUYRKSA-N 1 2 283.332 -1.352 20 0 CAADLO COC(=O)NCC(=O)NC[C@@H]1C[N@H+](CCO)CCO1 ZINC001495831416 893491523 /nfs/dbraw/zinc/49/15/23/893491523.db2.gz XCTVIYZJVLPKNC-SECBINFHSA-N 1 2 275.305 -1.848 20 0 CAADLO COC(=O)NCC(=O)NC[C@@H]1C[N@@H+](CCO)CCO1 ZINC001495831416 893491531 /nfs/dbraw/zinc/49/15/31/893491531.db2.gz XCTVIYZJVLPKNC-SECBINFHSA-N 1 2 275.305 -1.848 20 0 CAADLO C[C@H](O)C[N@@H+]1CCO[C@@H](CNC(=O)CCc2nnc[nH]2)C1 ZINC001495840885 893492620 /nfs/dbraw/zinc/49/26/20/893492620.db2.gz QOBKRVKDGXKAGH-QWRGUYRKSA-N 1 2 297.359 -1.065 20 0 CAADLO C[C@H](O)C[N@H+]1CCO[C@@H](CNC(=O)CCc2nnc[nH]2)C1 ZINC001495840885 893492629 /nfs/dbraw/zinc/49/26/29/893492629.db2.gz QOBKRVKDGXKAGH-QWRGUYRKSA-N 1 2 297.359 -1.065 20 0 CAADLO Cn1cc(CCC(=O)NC[C@H]2C[N@H+](CCO)CCO2)nn1 ZINC001495886668 893494372 /nfs/dbraw/zinc/49/43/72/893494372.db2.gz LLADUAXVCCGRMR-LBPRGKRZSA-N 1 2 297.359 -1.443 20 0 CAADLO Cn1cc(CCC(=O)NC[C@H]2C[N@@H+](CCO)CCO2)nn1 ZINC001495886668 893494385 /nfs/dbraw/zinc/49/43/85/893494385.db2.gz LLADUAXVCCGRMR-LBPRGKRZSA-N 1 2 297.359 -1.443 20 0 CAADLO O=C(NCC1CC1)C(=O)NC[C@H]1C[N@H+](CCO)CCO1 ZINC001495874909 893496959 /nfs/dbraw/zinc/49/69/59/893496959.db2.gz QGFZCFXVUQMSPO-NSHDSACASA-N 1 2 285.344 -1.678 20 0 CAADLO O=C(NCC1CC1)C(=O)NC[C@H]1C[N@@H+](CCO)CCO1 ZINC001495874909 893496969 /nfs/dbraw/zinc/49/69/69/893496969.db2.gz QGFZCFXVUQMSPO-NSHDSACASA-N 1 2 285.344 -1.678 20 0 CAADLO C[C@H](NC(N)=O)C(=O)N1CCC2(C[NH+](CC(N)=O)C2)CC1 ZINC001495974757 893500806 /nfs/dbraw/zinc/50/08/06/893500806.db2.gz UCHXBAHDRWAJTE-VIFPVBQESA-N 1 2 297.359 -1.547 20 0 CAADLO CNC(=O)NCC(=O)NCCN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001496137022 893507408 /nfs/dbraw/zinc/50/74/08/893507408.db2.gz HSPPETRGBBCTSQ-UHFFFAOYSA-N 1 2 296.331 -1.544 20 0 CAADLO Cc1nnc(C[NH2+]C[C@@H](C)N(C)C(=O)C(N)=O)o1 ZINC001496149606 893508659 /nfs/dbraw/zinc/50/86/59/893508659.db2.gz MWPGDLUGJKZDHO-ZCFIWIBFSA-N 1 2 255.278 -1.200 20 0 CAADLO CC(=O)N[C@H](C)C(=O)N(C)CCNC(=O)Cn1cc[nH+]c1 ZINC001496212999 893510821 /nfs/dbraw/zinc/51/08/21/893510821.db2.gz UXBKUMWSRGPSIW-SNVBAGLBSA-N 1 2 295.343 -1.018 20 0 CAADLO CN(CCNC(=O)Cn1cc[nH+]c1)C(=O)c1ncn(C)n1 ZINC001496212978 893515045 /nfs/dbraw/zinc/51/50/45/893515045.db2.gz UKAXXZRGMMZYOB-UHFFFAOYSA-N 1 2 291.315 -1.100 20 0 CAADLO CN(CCNC(=O)CCn1cc[nH+]c1)C(=O)C(N)=O ZINC001496323746 893517448 /nfs/dbraw/zinc/51/74/48/893517448.db2.gz QNAQTXQNQJRVET-UHFFFAOYSA-N 1 2 267.289 -1.667 20 0 CAADLO CN(CCNC(=O)CCn1cc[nH+]c1)C(=O)CC(N)=O ZINC001496324404 893518397 /nfs/dbraw/zinc/51/83/97/893518397.db2.gz VGMXTBOPLAOSLT-UHFFFAOYSA-N 1 2 281.316 -1.277 20 0 CAADLO CN(CCNC(=O)[C@H]1CCNC1=O)C(=O)Cc1[nH]cc[nH+]1 ZINC001496379907 893518434 /nfs/dbraw/zinc/51/84/34/893518434.db2.gz UKNUBZXGVMHOTJ-VIFPVBQESA-N 1 2 293.327 -1.337 20 0 CAADLO Cc1cn(C(C)(C)C(=O)N(C)CCNC(=O)C(N)=O)c[nH+]1 ZINC001496491172 893520692 /nfs/dbraw/zinc/52/06/92/893520692.db2.gz FMZDXKRLRFKXBM-UHFFFAOYSA-N 1 2 295.343 -1.013 20 0 CAADLO CN(CCNC(=O)Cc1[nH]cc[nH+]1)C(=O)[C@@H]1CNC(=O)N1 ZINC001496461798 893521323 /nfs/dbraw/zinc/52/13/23/893521323.db2.gz TYBPYBSFUAKJOO-QMMMGPOBSA-N 1 2 294.315 -1.792 20 0 CAADLO CN(CCNC(=O)Cc1c[nH]c[nH+]1)C(=O)c1nnn(C)n1 ZINC001496619900 893527026 /nfs/dbraw/zinc/52/70/26/893527026.db2.gz AOYTUVMCSKFNFH-UHFFFAOYSA-N 1 2 292.303 -1.636 20 0 CAADLO CNC(=O)C[N@H+](C)CCN(C)C(=O)[C@@H](C)CC(N)=O ZINC001496757536 893529130 /nfs/dbraw/zinc/52/91/30/893529130.db2.gz VSCGVMXGSJZOFZ-VIFPVBQESA-N 1 2 272.349 -1.366 20 0 CAADLO CNC(=O)C[N@@H+](C)CCN(C)C(=O)[C@@H](C)CC(N)=O ZINC001496757536 893529151 /nfs/dbraw/zinc/52/91/51/893529151.db2.gz VSCGVMXGSJZOFZ-VIFPVBQESA-N 1 2 272.349 -1.366 20 0 CAADLO CN(CC[N@H+](C)Cc1nc(=O)n(C)[nH]1)C(=O)CC(N)=O ZINC001496676049 893529587 /nfs/dbraw/zinc/52/95/87/893529587.db2.gz JYEGXTPCQKFUIW-UHFFFAOYSA-N 1 2 284.320 -2.126 20 0 CAADLO CN(CC[N@@H+](C)Cc1nc(=O)n(C)[nH]1)C(=O)CC(N)=O ZINC001496676049 893529607 /nfs/dbraw/zinc/52/96/07/893529607.db2.gz JYEGXTPCQKFUIW-UHFFFAOYSA-N 1 2 284.320 -2.126 20 0 CAADLO C[C@H](CC(=O)N(C)CC[N@H+](C)CC(N)=O)NC(N)=O ZINC001496702243 893530000 /nfs/dbraw/zinc/53/00/00/893530000.db2.gz OWEJTKFOOBHQEZ-MRVPVSSYSA-N 1 2 273.337 -1.691 20 0 CAADLO C[C@H](CC(=O)N(C)CC[N@@H+](C)CC(N)=O)NC(N)=O ZINC001496702243 893530022 /nfs/dbraw/zinc/53/00/22/893530022.db2.gz OWEJTKFOOBHQEZ-MRVPVSSYSA-N 1 2 273.337 -1.691 20 0 CAADLO CNC(=O)C[N@H+](C)CCN(C)C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001496757791 893530624 /nfs/dbraw/zinc/53/06/24/893530624.db2.gz HGPQFLUXHYVGRL-VIFPVBQESA-N 1 2 285.348 -1.854 20 0 CAADLO CNC(=O)C[N@@H+](C)CCN(C)C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001496757791 893530639 /nfs/dbraw/zinc/53/06/39/893530639.db2.gz HGPQFLUXHYVGRL-VIFPVBQESA-N 1 2 285.348 -1.854 20 0 CAADLO CN(CC[N@H+](C)CC(N)=O)C(=O)[C@H]1CC[C@H]1C(N)=O ZINC001496757359 893533341 /nfs/dbraw/zinc/53/33/41/893533341.db2.gz DLHXEGZIJMNIFF-BDAKNGLRSA-N 1 2 270.333 -1.627 20 0 CAADLO CN(CC[N@@H+](C)CC(N)=O)C(=O)[C@H]1CC[C@H]1C(N)=O ZINC001496757359 893533367 /nfs/dbraw/zinc/53/33/67/893533367.db2.gz DLHXEGZIJMNIFF-BDAKNGLRSA-N 1 2 270.333 -1.627 20 0 CAADLO CN(CC[N@H+](C)CC(N)=O)C(=O)CCN1CCCC1=O ZINC001496838865 893536548 /nfs/dbraw/zinc/53/65/48/893536548.db2.gz ZZKCDFPRLCWHDG-UHFFFAOYSA-N 1 2 284.360 -1.126 20 0 CAADLO CN(CC[N@@H+](C)CC(N)=O)C(=O)CCN1CCCC1=O ZINC001496838865 893536556 /nfs/dbraw/zinc/53/65/56/893536556.db2.gz ZZKCDFPRLCWHDG-UHFFFAOYSA-N 1 2 284.360 -1.126 20 0 CAADLO C[C@H](C(=O)N(C)CC[N@H+](C)CC(N)=O)[C@@H]1CCC(=O)N1 ZINC001496785361 893536629 /nfs/dbraw/zinc/53/66/29/893536629.db2.gz IPXIBMZQJFANHA-UWVGGRQHSA-N 1 2 284.360 -1.223 20 0 CAADLO C[C@H](C(=O)N(C)CC[N@@H+](C)CC(N)=O)[C@@H]1CCC(=O)N1 ZINC001496785361 893536645 /nfs/dbraw/zinc/53/66/45/893536645.db2.gz IPXIBMZQJFANHA-UWVGGRQHSA-N 1 2 284.360 -1.223 20 0 CAADLO CNS(=O)(=O)CC(=O)N(C)CC[N@H+](C)CC(N)=O ZINC001496838313 893537568 /nfs/dbraw/zinc/53/75/68/893537568.db2.gz RHMUNVQYUKKZJI-UHFFFAOYSA-N 1 2 280.350 -2.589 20 0 CAADLO CNS(=O)(=O)CC(=O)N(C)CC[N@@H+](C)CC(N)=O ZINC001496838313 893537582 /nfs/dbraw/zinc/53/75/82/893537582.db2.gz RHMUNVQYUKKZJI-UHFFFAOYSA-N 1 2 280.350 -2.589 20 0 CAADLO CN(CC[N@H+](C)CC(N)=O)C(=O)CCCC(N)=O ZINC001496848296 893538375 /nfs/dbraw/zinc/53/83/75/893538375.db2.gz QNLQMWDKSOODSS-UHFFFAOYSA-N 1 2 258.322 -1.483 20 0 CAADLO CN(CC[N@@H+](C)CC(N)=O)C(=O)CCCC(N)=O ZINC001496848296 893538388 /nfs/dbraw/zinc/53/83/88/893538388.db2.gz QNLQMWDKSOODSS-UHFFFAOYSA-N 1 2 258.322 -1.483 20 0 CAADLO CN(CC[N@H+](C)CC(N)=O)C(=O)[C@H]1CCc2nncn2C1 ZINC001496842050 893538859 /nfs/dbraw/zinc/53/88/59/893538859.db2.gz RHXODFGOMBJXKL-JTQLQIEISA-N 1 2 294.359 -1.284 20 0 CAADLO CN(CC[N@@H+](C)CC(N)=O)C(=O)[C@H]1CCc2nncn2C1 ZINC001496842050 893538873 /nfs/dbraw/zinc/53/88/73/893538873.db2.gz RHXODFGOMBJXKL-JTQLQIEISA-N 1 2 294.359 -1.284 20 0 CAADLO C[C@H](C(=O)N(C)CC[N@H+](C)CC(N)=O)[C@H]1CCC(=O)N1 ZINC001496785380 893539387 /nfs/dbraw/zinc/53/93/87/893539387.db2.gz IPXIBMZQJFANHA-VHSXEESVSA-N 1 2 284.360 -1.223 20 0 CAADLO C[C@H](C(=O)N(C)CC[N@@H+](C)CC(N)=O)[C@H]1CCC(=O)N1 ZINC001496785380 893539401 /nfs/dbraw/zinc/53/94/01/893539401.db2.gz IPXIBMZQJFANHA-VHSXEESVSA-N 1 2 284.360 -1.223 20 0 CAADLO CCCNC(=O)[C@@H](C)[N@@H+](C)CCN(C)C(=O)C(N)=O ZINC001496773473 893539756 /nfs/dbraw/zinc/53/97/56/893539756.db2.gz ZTQXLPBQRYRPTK-SECBINFHSA-N 1 2 272.349 -1.223 20 0 CAADLO CN(CC[N@H+](C)CC(N)=O)C(=O)[C@@H]1CCc2nncn2C1 ZINC001496842051 893539591 /nfs/dbraw/zinc/53/95/91/893539591.db2.gz RHXODFGOMBJXKL-SNVBAGLBSA-N 1 2 294.359 -1.284 20 0 CAADLO CN(CC[N@@H+](C)CC(N)=O)C(=O)[C@@H]1CCc2nncn2C1 ZINC001496842051 893539610 /nfs/dbraw/zinc/53/96/10/893539610.db2.gz RHXODFGOMBJXKL-SNVBAGLBSA-N 1 2 294.359 -1.284 20 0 CAADLO CCCNC(=O)[C@@H](C)[N@H+](C)CCN(C)C(=O)C(N)=O ZINC001496773473 893539743 /nfs/dbraw/zinc/53/97/43/893539743.db2.gz ZTQXLPBQRYRPTK-SECBINFHSA-N 1 2 272.349 -1.223 20 0 CAADLO CCN(CCNC(=O)C(N)=O)C(=O)CCc1c[nH+]cn1C ZINC001496935909 893542693 /nfs/dbraw/zinc/54/26/93/893542693.db2.gz PITPMCGJVGHVLL-UHFFFAOYSA-N 1 2 295.343 -1.197 20 0 CAADLO CC(=O)N(C)CC(=O)NC[C@H](O)C[NH2+]Cc1nnc(C)o1 ZINC001496944336 893546662 /nfs/dbraw/zinc/54/66/62/893546662.db2.gz IPLXLBQMNQLEDN-SNVBAGLBSA-N 1 2 299.331 -1.577 20 0 CAADLO Cc1noc(C[NH2+]C[C@@H](O)CNC(=O)c2ccn[nH]2)n1 ZINC001496944094 893548573 /nfs/dbraw/zinc/54/85/73/893548573.db2.gz GZXVFWYYZYFTAQ-MRVPVSSYSA-N 1 2 280.288 -1.018 20 0 CAADLO O=C(NC[C@H](O)C[NH2+]Cc1cnsn1)[C@H]1CCC(=O)N1 ZINC001496948829 893550918 /nfs/dbraw/zinc/55/09/18/893550918.db2.gz FTWGFULRMZBPHP-RKDXNWHRSA-N 1 2 299.356 -1.617 20 0 CAADLO CCC(=O)NCC(=O)NC[C@@H](O)C[NH2+]Cc1nnc(C)o1 ZINC001496954893 893557147 /nfs/dbraw/zinc/55/71/47/893557147.db2.gz KTBDWZZDIMCJEV-VIFPVBQESA-N 1 2 299.331 -1.529 20 0 CAADLO CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)c1[nH]nc(C)c1C ZINC001496957925 893562338 /nfs/dbraw/zinc/56/23/38/893562338.db2.gz NYLGWCSXVBRATK-SNVBAGLBSA-N 1 2 297.359 -1.157 20 0 CAADLO Cc1nnc(C[NH2+]C[C@H](O)CNC(=O)c2ncc[nH]2)o1 ZINC001496976613 893568140 /nfs/dbraw/zinc/56/81/40/893568140.db2.gz DUDNZINXOFOQRV-QMMMGPOBSA-N 1 2 280.288 -1.018 20 0 CAADLO Cc1nnc(C[NH2+]C[C@H](O)CNC(=O)[C@]23C[C@H]2COC3)o1 ZINC001496979542 893572227 /nfs/dbraw/zinc/57/22/27/893572227.db2.gz SGZPRWHUQKGHHU-KWBADKCTSA-N 1 2 296.327 -1.019 20 0 CAADLO Cc1noc(C[NH2+]C[C@@H](O)CNC(=O)c2cnn(C)n2)n1 ZINC001497070243 893597545 /nfs/dbraw/zinc/59/75/45/893597545.db2.gz KBTSVWJSYNELFQ-MRVPVSSYSA-N 1 2 295.303 -1.613 20 0 CAADLO NC(=O)CC(=O)NCCN(C(=O)Cc1c[nH+]c[nH]1)C1CC1 ZINC001497403546 893617642 /nfs/dbraw/zinc/61/76/42/893617642.db2.gz PHCRQFHVUBHGIU-UHFFFAOYSA-N 1 2 293.327 -1.065 20 0 CAADLO CCN(CC[NH2+]Cc1nc(=O)n(C)[nH]1)C(=O)C(N)=O ZINC001497447591 893619878 /nfs/dbraw/zinc/61/98/78/893619878.db2.gz PKKCWLQJPYEELW-UHFFFAOYSA-N 1 2 270.293 -2.468 20 0 CAADLO O=C(Cn1cnnn1)NC/C=C\C[NH2+]Cc1nncs1 ZINC001497526619 893620611 /nfs/dbraw/zinc/62/06/11/893620611.db2.gz NTVOQHUASJLUKM-UPHRSURJSA-N 1 2 294.344 -1.013 20 0 CAADLO COC(=O)NCC(=O)NC/C=C/C[NH2+]Cc1ncnn1C ZINC001497534422 893621634 /nfs/dbraw/zinc/62/16/34/893621634.db2.gz BBNMHNDFLVHBAS-ONEGZZNKSA-N 1 2 296.331 -1.067 20 0 CAADLO C[N@@H+]1CCO[C@@H](C(=O)N(CCNC(=O)C(N)=O)C2CC2)C1 ZINC001497540664 893624066 /nfs/dbraw/zinc/62/40/66/893624066.db2.gz LGVDGWYJJWFEKC-SNVBAGLBSA-N 1 2 298.343 -2.091 20 0 CAADLO C[N@H+]1CCO[C@@H](C(=O)N(CCNC(=O)C(N)=O)C2CC2)C1 ZINC001497540664 893624074 /nfs/dbraw/zinc/62/40/74/893624074.db2.gz LGVDGWYJJWFEKC-SNVBAGLBSA-N 1 2 298.343 -2.091 20 0 CAADLO CCCn1nnnc1C[NH2+]C/C=C/CNC(=O)C(N)=O ZINC001497669780 893626724 /nfs/dbraw/zinc/62/67/24/893626724.db2.gz OYOAQIFYXRCZEU-ONEGZZNKSA-N 1 2 281.320 -1.670 20 0 CAADLO Cn1ncnc1C[NH2+]CC=CCNC(=O)[C@H]1CNC(=O)N1 ZINC001497669499 893627350 /nfs/dbraw/zinc/62/73/50/893627350.db2.gz NBXFCTNUPQKING-PKRMOACSSA-N 1 2 293.331 -1.742 20 0 CAADLO Cc1nonc1C[NH2+]C/C=C/CNC(=O)c1nnn(C)n1 ZINC001497649524 893627664 /nfs/dbraw/zinc/62/76/64/893627664.db2.gz FOHMXVPGXDDBHJ-ONEGZZNKSA-N 1 2 292.303 -1.023 20 0 CAADLO NC(=O)C(=O)NC/C=C/C[NH2+]Cc1nnnn1C1CC1 ZINC001497670833 893628416 /nfs/dbraw/zinc/62/84/16/893628416.db2.gz YGXWBUQRWHBYJI-OWOJBTEDSA-N 1 2 279.304 -1.745 20 0 CAADLO Cn1ncnc1C[NH2+]C/C=C/CNC(=O)[C@@H]1CCC(=O)N1 ZINC001497724476 893630259 /nfs/dbraw/zinc/63/02/59/893630259.db2.gz CIKOXYPJMZSHQE-PBKGFPTLSA-N 1 2 292.343 -1.144 20 0 CAADLO CC(=O)N(C)CC[NH+]1CCN(C(=O)Cn2cnnn2)CC1 ZINC001497838915 893638933 /nfs/dbraw/zinc/63/89/33/893638933.db2.gz MKVPXRLUNOCOGT-UHFFFAOYSA-N 1 2 295.347 -1.704 20 0 CAADLO Cc1noc(C[NH2+]C[C@@H](C)NC(=O)[C@H]2CN(C)C(=O)N2)n1 ZINC001497877356 893639143 /nfs/dbraw/zinc/63/91/43/893639143.db2.gz MTCALNBGKITWGF-VXNVDRBHSA-N 1 2 296.331 -1.004 20 0 CAADLO C[C@H](C[NH2+]Cc1nc(=O)n(C)[nH]1)NC(=O)c1nnc[nH]1 ZINC001497944359 893642579 /nfs/dbraw/zinc/64/25/79/893642579.db2.gz GEGNYLCMIMYGBS-ZCFIWIBFSA-N 1 2 280.292 -1.865 20 0 CAADLO CCc1nnc(C[NH2+]C[C@@H](C)NC(=O)[C@@H]2CNC(=O)N2)o1 ZINC001497895119 893643048 /nfs/dbraw/zinc/64/30/48/893643048.db2.gz QMJCFCSIKRNPEN-SFYZADRCSA-N 1 2 296.331 -1.092 20 0 CAADLO C[C@H](CNCc1nnn(C)n1)NC(=O)Cc1c[nH+]cn1C ZINC001497962984 893644590 /nfs/dbraw/zinc/64/45/90/893644590.db2.gz MVXCJJSIHKFGAW-SECBINFHSA-N 1 2 292.347 -1.219 20 0 CAADLO CCc1noc(C[NH2+]C[C@H](C)NC(=O)Cn2cnnn2)n1 ZINC001498011042 893645069 /nfs/dbraw/zinc/64/50/69/893645069.db2.gz YPIYBQYNVZJTNE-QMMMGPOBSA-N 1 2 294.319 -1.087 20 0 CAADLO CCc1nnc(C[NH2+]C[C@H](C)NC(=O)C(N)=O)o1 ZINC001498101298 893655018 /nfs/dbraw/zinc/65/50/18/893655018.db2.gz KNRKAUZSSNYZAE-LURJTMIESA-N 1 2 255.278 -1.288 20 0 CAADLO COCCc1noc(C[NH2+]C[C@H](C)NC(=O)C(N)=O)n1 ZINC001498099987 893655700 /nfs/dbraw/zinc/65/57/00/893655700.db2.gz ANODGOCIZXVOAI-ZETCQYMHSA-N 1 2 285.304 -1.662 20 0 CAADLO NC(=O)CC(=O)NC1CN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001498140522 893660750 /nfs/dbraw/zinc/66/07/50/893660750.db2.gz YPLKDQZKSCLJMN-UHFFFAOYSA-N 1 2 265.273 -1.845 20 0 CAADLO C[C@@H](C[N@H+](C)Cc1cnnn1C)NC(=O)[C@H](C)NC(N)=O ZINC001498286422 893666278 /nfs/dbraw/zinc/66/62/78/893666278.db2.gz GUPHRSCXBDPIFT-IUCAKERBSA-N 1 2 297.363 -1.192 20 0 CAADLO C[C@@H](C[N@@H+](C)Cc1cnnn1C)NC(=O)[C@H](C)NC(N)=O ZINC001498286422 893666292 /nfs/dbraw/zinc/66/62/92/893666292.db2.gz GUPHRSCXBDPIFT-IUCAKERBSA-N 1 2 297.363 -1.192 20 0 CAADLO Cc1nc(CC(=O)N[C@@H](C)C[N@H+](C)[C@@H](C)C(N)=O)n[nH]1 ZINC001498277132 893669110 /nfs/dbraw/zinc/66/91/10/893669110.db2.gz POCFFCYEHJPELR-YUMQZZPRSA-N 1 2 282.348 -1.034 20 0 CAADLO Cc1nc(CC(=O)N[C@@H](C)C[N@@H+](C)[C@@H](C)C(N)=O)n[nH]1 ZINC001498277132 893669117 /nfs/dbraw/zinc/66/91/17/893669117.db2.gz POCFFCYEHJPELR-YUMQZZPRSA-N 1 2 282.348 -1.034 20 0 CAADLO C[C@@H](C[N@H+](C)CC(=O)N1CCNC(=O)C1)NC(=O)C(N)=O ZINC001498394082 893674650 /nfs/dbraw/zinc/67/46/50/893674650.db2.gz JIMTXDCNQWFUKM-QMMMGPOBSA-N 1 2 299.331 -3.133 20 0 CAADLO C[C@@H](C[N@@H+](C)CC(=O)N1CCNC(=O)C1)NC(=O)C(N)=O ZINC001498394082 893674653 /nfs/dbraw/zinc/67/46/53/893674653.db2.gz JIMTXDCNQWFUKM-QMMMGPOBSA-N 1 2 299.331 -3.133 20 0 CAADLO NC(=O)CC(=O)NCC1CN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001498514698 893682425 /nfs/dbraw/zinc/68/24/25/893682425.db2.gz UUDMBNVWAUTDEZ-UHFFFAOYSA-N 1 2 293.327 -1.208 20 0 CAADLO NC(=O)CC(=O)NCC1CN(C(=O)Cn2cc[nH+]c2)C1 ZINC001498510650 893682516 /nfs/dbraw/zinc/68/25/16/893682516.db2.gz BKYATSQOKMXEGN-UHFFFAOYSA-N 1 2 279.300 -1.667 20 0 CAADLO CN(C)c1noc(C[NH2+]C[C@H](NC(=O)C(N)=O)C2CC2)n1 ZINC001498813695 893692074 /nfs/dbraw/zinc/69/20/74/893692074.db2.gz FAXQKMYZBNIFMP-QMMMGPOBSA-N 1 2 296.331 -1.395 20 0 CAADLO CC(=O)NCC(=O)NC[C@@H]1CC[N@@H+]1[C@@H]1CCNC1=O ZINC001498911840 893692611 /nfs/dbraw/zinc/69/26/11/893692611.db2.gz AHCGSJZMSMYQRC-VHSXEESVSA-N 1 2 268.317 -1.799 20 0 CAADLO CC(=O)NCC(=O)NC[C@@H]1CC[N@H+]1[C@@H]1CCNC1=O ZINC001498911840 893692622 /nfs/dbraw/zinc/69/26/22/893692622.db2.gz AHCGSJZMSMYQRC-VHSXEESVSA-N 1 2 268.317 -1.799 20 0 CAADLO CCN(C(=O)C(N)=O)[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001498849088 893694529 /nfs/dbraw/zinc/69/45/29/893694529.db2.gz ZEYDXVBDBHNNJX-SNVBAGLBSA-N 1 2 293.327 -1.182 20 0 CAADLO CCN(C(=O)C(N)=O)[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001498848246 893694792 /nfs/dbraw/zinc/69/47/92/893694792.db2.gz XJMSPDITONEWEU-JTQLQIEISA-N 1 2 293.327 -1.113 20 0 CAADLO CC[C@@H](C(N)=O)[N@@H+]1CC[C@H]1CNC(=O)CNC(C)=O ZINC001498913441 893696090 /nfs/dbraw/zinc/69/60/90/893696090.db2.gz UJTKSTSCSLOCIU-UWVGGRQHSA-N 1 2 270.333 -1.423 20 0 CAADLO CC[C@@H](C(N)=O)[N@H+]1CC[C@H]1CNC(=O)CNC(C)=O ZINC001498913441 893696098 /nfs/dbraw/zinc/69/60/98/893696098.db2.gz UJTKSTSCSLOCIU-UWVGGRQHSA-N 1 2 270.333 -1.423 20 0 CAADLO CC(C)N(C)C(=O)C[N@@H+]1CC[C@@H]1CNC(=O)CC(N)=O ZINC001498951703 893696534 /nfs/dbraw/zinc/69/65/34/893696534.db2.gz IZSQQJZHLVJECV-SNVBAGLBSA-N 1 2 284.360 -1.081 20 0 CAADLO CC(C)N(C)C(=O)C[N@H+]1CC[C@@H]1CNC(=O)CC(N)=O ZINC001498951703 893696543 /nfs/dbraw/zinc/69/65/43/893696543.db2.gz IZSQQJZHLVJECV-SNVBAGLBSA-N 1 2 284.360 -1.081 20 0 CAADLO CC(C)N(C)C(=O)C[N@@H+]1CC[C@H]1CNC(=O)CC(N)=O ZINC001498951701 893696822 /nfs/dbraw/zinc/69/68/22/893696822.db2.gz IZSQQJZHLVJECV-JTQLQIEISA-N 1 2 284.360 -1.081 20 0 CAADLO CC(C)N(C)C(=O)C[N@H+]1CC[C@H]1CNC(=O)CC(N)=O ZINC001498951701 893696835 /nfs/dbraw/zinc/69/68/35/893696835.db2.gz IZSQQJZHLVJECV-JTQLQIEISA-N 1 2 284.360 -1.081 20 0 CAADLO CCN(C)C(=O)C[N@@H+]1CC[C@H]1CNC(=O)[C@H](C)NC(N)=O ZINC001498965852 893696969 /nfs/dbraw/zinc/69/69/69/893696969.db2.gz GNZREMZRWPQANL-UWVGGRQHSA-N 1 2 299.375 -1.288 20 0 CAADLO CCN(C)C(=O)C[N@H+]1CC[C@H]1CNC(=O)[C@H](C)NC(N)=O ZINC001498965852 893696978 /nfs/dbraw/zinc/69/69/78/893696978.db2.gz GNZREMZRWPQANL-UWVGGRQHSA-N 1 2 299.375 -1.288 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CC[C@H]1CNC(=O)CCn1cncn1 ZINC001498929570 893697080 /nfs/dbraw/zinc/69/70/80/893697080.db2.gz SPDDSVOFZMFCPV-UWVGGRQHSA-N 1 2 280.332 -1.268 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CC[C@H]1CNC(=O)CCn1cncn1 ZINC001498929570 893697090 /nfs/dbraw/zinc/69/70/90/893697090.db2.gz SPDDSVOFZMFCPV-UWVGGRQHSA-N 1 2 280.332 -1.268 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CC[C@@H]1CNC(=O)CCn1cncn1 ZINC001498929571 893697125 /nfs/dbraw/zinc/69/71/25/893697125.db2.gz SPDDSVOFZMFCPV-VHSXEESVSA-N 1 2 280.332 -1.268 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CC[C@@H]1CNC(=O)CCn1cncn1 ZINC001498929571 893697132 /nfs/dbraw/zinc/69/71/32/893697132.db2.gz SPDDSVOFZMFCPV-VHSXEESVSA-N 1 2 280.332 -1.268 20 0 CAADLO COC(=O)NCC(=O)NC[C@H]1CC[N@@H+]1[C@@H]1CCN(C)C1=O ZINC001498934707 893697738 /nfs/dbraw/zinc/69/77/38/893697738.db2.gz OPEYWMQNEYPPIV-NXEZZACHSA-N 1 2 298.343 -1.236 20 0 CAADLO COC(=O)NCC(=O)NC[C@H]1CC[N@H+]1[C@@H]1CCN(C)C1=O ZINC001498934707 893697746 /nfs/dbraw/zinc/69/77/46/893697746.db2.gz OPEYWMQNEYPPIV-NXEZZACHSA-N 1 2 298.343 -1.236 20 0 CAADLO CC[C@H](C(N)=O)[N@@H+]1CC[C@@H]1CNC(=O)CNC(C)=O ZINC001498913440 893697910 /nfs/dbraw/zinc/69/79/10/893697910.db2.gz UJTKSTSCSLOCIU-NXEZZACHSA-N 1 2 270.333 -1.423 20 0 CAADLO CC[C@H](C(N)=O)[N@H+]1CC[C@@H]1CNC(=O)CNC(C)=O ZINC001498913440 893697919 /nfs/dbraw/zinc/69/79/19/893697919.db2.gz UJTKSTSCSLOCIU-NXEZZACHSA-N 1 2 270.333 -1.423 20 0 CAADLO CNC(=O)NCCC(=O)N(C)C1C[NH+](CCO)C1 ZINC001499662829 893721198 /nfs/dbraw/zinc/72/11/98/893721198.db2.gz UZZRTFFQDKOIOO-UHFFFAOYSA-N 1 2 258.322 -1.560 20 0 CAADLO CC[C@@H](CNC(=O)CC(N)=O)NC(=O)Cc1[nH]cc[nH+]1 ZINC001498982218 893699847 /nfs/dbraw/zinc/69/98/47/893699847.db2.gz YLFDTPUOEUUDCX-QMMMGPOBSA-N 1 2 281.316 -1.161 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+]1CC[C@H]1CNC(=O)C(C)(C)C(N)=O ZINC001499000863 893700221 /nfs/dbraw/zinc/70/02/21/893700221.db2.gz XDSNKQJDZJOZGE-IUCAKERBSA-N 1 2 284.360 -1.177 20 0 CAADLO CNC(=O)[C@H](C)[N@H+]1CC[C@H]1CNC(=O)C(C)(C)C(N)=O ZINC001499000863 893700230 /nfs/dbraw/zinc/70/02/30/893700230.db2.gz XDSNKQJDZJOZGE-IUCAKERBSA-N 1 2 284.360 -1.177 20 0 CAADLO CCN(C)C(=O)C[N@@H+]1CC[C@H]1CNC(=O)CNC(=O)NC ZINC001498993251 893702292 /nfs/dbraw/zinc/70/22/92/893702292.db2.gz ZBNZWEJVJVFQAD-JTQLQIEISA-N 1 2 299.375 -1.416 20 0 CAADLO CCN(C)C(=O)C[N@H+]1CC[C@H]1CNC(=O)CNC(=O)NC ZINC001498993251 893702300 /nfs/dbraw/zinc/70/23/00/893702300.db2.gz ZBNZWEJVJVFQAD-JTQLQIEISA-N 1 2 299.375 -1.416 20 0 CAADLO CCN(C)C(=O)C[N@@H+]1CC[C@@H]1CNC(=O)C1(C(N)=O)CC1 ZINC001499049642 893705265 /nfs/dbraw/zinc/70/52/65/893705265.db2.gz JKRYPAXEOPJMMV-SNVBAGLBSA-N 1 2 296.371 -1.079 20 0 CAADLO CCN(C)C(=O)C[N@H+]1CC[C@@H]1CNC(=O)C1(C(N)=O)CC1 ZINC001499049642 893705273 /nfs/dbraw/zinc/70/52/73/893705273.db2.gz JKRYPAXEOPJMMV-SNVBAGLBSA-N 1 2 296.371 -1.079 20 0 CAADLO NC(=O)NCCC(=O)NC[C@H]1CC[N@@H+]1CC(=O)N1CCC1 ZINC001499114327 893705776 /nfs/dbraw/zinc/70/57/76/893705776.db2.gz LFNQTDKZYDYKJT-SNVBAGLBSA-N 1 2 297.359 -1.532 20 0 CAADLO NC(=O)NCCC(=O)NC[C@H]1CC[N@H+]1CC(=O)N1CCC1 ZINC001499114327 893705782 /nfs/dbraw/zinc/70/57/82/893705782.db2.gz LFNQTDKZYDYKJT-SNVBAGLBSA-N 1 2 297.359 -1.532 20 0 CAADLO CCN(C)C(=O)C[N@@H+]1CC[C@H]1CNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001499066408 893706367 /nfs/dbraw/zinc/70/63/67/893706367.db2.gz HSTXNQWOVZUJBA-AXFHLTTASA-N 1 2 296.371 -1.223 20 0 CAADLO CCN(C)C(=O)C[N@H+]1CC[C@H]1CNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001499066408 893706379 /nfs/dbraw/zinc/70/63/79/893706379.db2.gz HSTXNQWOVZUJBA-AXFHLTTASA-N 1 2 296.371 -1.223 20 0 CAADLO C[C@H](NC(N)=O)C(=O)NCC1([NH2+]Cc2cnon2)CC1 ZINC001499209729 893708621 /nfs/dbraw/zinc/70/86/21/893708621.db2.gz WTNJABMUDCYRPY-ZETCQYMHSA-N 1 2 282.304 -1.135 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CC[C@H]1CNC(=O)CCCC(N)=O ZINC001499135402 893710900 /nfs/dbraw/zinc/71/09/00/893710900.db2.gz AAFKONIOTRYLAB-BDAKNGLRSA-N 1 2 270.333 -1.294 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CC[C@H]1CNC(=O)CCCC(N)=O ZINC001499135402 893710913 /nfs/dbraw/zinc/71/09/13/893710913.db2.gz AAFKONIOTRYLAB-BDAKNGLRSA-N 1 2 270.333 -1.294 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CC[C@@H]1CNC(=O)CCCC(N)=O ZINC001499135413 893711449 /nfs/dbraw/zinc/71/14/49/893711449.db2.gz AAFKONIOTRYLAB-DTWKUNHWSA-N 1 2 270.333 -1.294 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CC[C@@H]1CNC(=O)CCCC(N)=O ZINC001499135413 893711459 /nfs/dbraw/zinc/71/14/59/893711459.db2.gz AAFKONIOTRYLAB-DTWKUNHWSA-N 1 2 270.333 -1.294 20 0 CAADLO Cn1nnnc1C[NH2+]C1(CNC(=O)C(C)(C)C(N)=O)CC1 ZINC001499256583 893713734 /nfs/dbraw/zinc/71/37/34/893713734.db2.gz OGIPQAYBFCSNKE-UHFFFAOYSA-N 1 2 295.347 -1.540 20 0 CAADLO CC[C@@H](CNC(=O)C(N)=O)NC(=O)Cc1[nH]cc[nH+]1 ZINC001499320590 893713969 /nfs/dbraw/zinc/71/39/69/893713969.db2.gz AXSJEKARTGMZDA-ZETCQYMHSA-N 1 2 267.289 -1.552 20 0 CAADLO Cn1ncnc1C[NH2+]C1(CNC(=O)[C@H]2C[C@H]2C(N)=O)CC1 ZINC001499351882 893716772 /nfs/dbraw/zinc/71/67/72/893716772.db2.gz HRRYJUVYQOUZMJ-BDAKNGLRSA-N 1 2 292.343 -1.325 20 0 CAADLO Cn1cc(C[NH2+]C2(CNC(=O)Cc3nc[nH]n3)CC2)nn1 ZINC001499415467 893718734 /nfs/dbraw/zinc/71/87/34/893718734.db2.gz KULVRTKYTALSFH-UHFFFAOYSA-N 1 2 290.331 -1.086 20 0 CAADLO CN(C(=O)CC(N)=O)C1CN(Cc2c[nH+]cn2C)C1 ZINC001499647817 893720613 /nfs/dbraw/zinc/72/06/13/893720613.db2.gz FKBUAACRVDOYRQ-UHFFFAOYSA-N 1 2 265.317 -1.062 20 0 CAADLO NC(=O)C(=O)NCC1(NC(=O)Cc2[nH]cc[nH+]2)CCCC1 ZINC001499537745 893721590 /nfs/dbraw/zinc/72/15/90/893721590.db2.gz GENYEZLXHWLJNJ-UHFFFAOYSA-N 1 2 293.327 -1.017 20 0 CAADLO COC[C@H](O)C[NH+]1CC(N(C)C(=O)c2cn(C)nn2)C1 ZINC001499662725 893722535 /nfs/dbraw/zinc/72/25/35/893722535.db2.gz SXEPFJULCJRYFF-SNVBAGLBSA-N 1 2 283.332 -1.421 20 0 CAADLO CN(C(=O)CC(N)=O)C1C[NH+](CCN2CCCC2=O)C1 ZINC001499648047 893722623 /nfs/dbraw/zinc/72/26/23/893722623.db2.gz JVEVUQRXTHTMOB-UHFFFAOYSA-N 1 2 282.344 -1.373 20 0 CAADLO COCC(=O)N(C)C1C[NH+](CCCN2C(=O)CNC2=O)C1 ZINC001499622589 893722984 /nfs/dbraw/zinc/72/29/84/893722984.db2.gz XPTDTQYXTDFRHZ-UHFFFAOYSA-N 1 2 298.343 -1.283 20 0 CAADLO CN(C(=O)CC[C@H]1NC(=O)NC1=O)C1C[NH+](CCO)C1 ZINC001499782750 893724399 /nfs/dbraw/zinc/72/43/99/893724399.db2.gz WCUMBINIBGBOEJ-SECBINFHSA-N 1 2 284.316 -1.891 20 0 CAADLO CCOCC[NH+]1CC(N(C)C(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001499752597 893724884 /nfs/dbraw/zinc/72/48/84/893724884.db2.gz YFMVGAYCNRHQAF-JTQLQIEISA-N 1 2 298.343 -1.236 20 0 CAADLO CN(C(=O)CCNC(N)=O)C1C[NH+](CCn2cncn2)C1 ZINC001499782683 893724912 /nfs/dbraw/zinc/72/49/12/893724912.db2.gz SZUFUOULQAZKOS-UHFFFAOYSA-N 1 2 295.347 -1.521 20 0 CAADLO CN(C(=O)CC[C@@H]1NC(=O)NC1=O)C1C[NH+](CCO)C1 ZINC001499782751 893725133 /nfs/dbraw/zinc/72/51/33/893725133.db2.gz WCUMBINIBGBOEJ-VIFPVBQESA-N 1 2 284.316 -1.891 20 0 CAADLO CN(C(=O)[C@H]1CNC(=O)N1)C1C[NH+](CCOCCO)C1 ZINC001499737037 893726178 /nfs/dbraw/zinc/72/61/78/893726178.db2.gz DYPUNCYLHKDKHO-SNVBAGLBSA-N 1 2 286.332 -2.181 20 0 CAADLO CC(C)(C)NC(=O)C[N@@H+]1CC[C@@](C)(NC(=O)C(N)=O)C1 ZINC001500253543 893731076 /nfs/dbraw/zinc/73/10/76/893731076.db2.gz GWKVRTXCAWMASL-CYBMUJFWSA-N 1 2 284.360 -1.033 20 0 CAADLO CC(C)(C)NC(=O)C[N@H+]1CC[C@@](C)(NC(=O)C(N)=O)C1 ZINC001500253543 893731086 /nfs/dbraw/zinc/73/10/86/893731086.db2.gz GWKVRTXCAWMASL-CYBMUJFWSA-N 1 2 284.360 -1.033 20 0 CAADLO CNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@@](C)(NC(=O)C(N)=O)C1 ZINC001500254717 893731656 /nfs/dbraw/zinc/73/16/56/893731656.db2.gz WDOWJZPJQVDHOV-JMCQJSRRSA-N 1 2 299.331 -2.104 20 0 CAADLO CNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@@](C)(NC(=O)C(N)=O)C1 ZINC001500254717 893731664 /nfs/dbraw/zinc/73/16/64/893731664.db2.gz WDOWJZPJQVDHOV-JMCQJSRRSA-N 1 2 299.331 -2.104 20 0 CAADLO Cn1nccc1C[N@@H+]1CC[C@](C)(NC(=O)C(N)=O)C1 ZINC001500253610 893731723 /nfs/dbraw/zinc/73/17/23/893731723.db2.gz IRFBEMXLGYXQFJ-LBPRGKRZSA-N 1 2 265.317 -1.014 20 0 CAADLO Cn1nccc1C[N@H+]1CC[C@](C)(NC(=O)C(N)=O)C1 ZINC001500253610 893731734 /nfs/dbraw/zinc/73/17/34/893731734.db2.gz IRFBEMXLGYXQFJ-LBPRGKRZSA-N 1 2 265.317 -1.014 20 0 CAADLO Cn1nccc1C[N@@H+]1CC[C@@](C)(NC(=O)C(N)=O)C1 ZINC001500253609 893731753 /nfs/dbraw/zinc/73/17/53/893731753.db2.gz IRFBEMXLGYXQFJ-GFCCVEGCSA-N 1 2 265.317 -1.014 20 0 CAADLO Cn1nccc1C[N@H+]1CC[C@@](C)(NC(=O)C(N)=O)C1 ZINC001500253609 893731765 /nfs/dbraw/zinc/73/17/65/893731765.db2.gz IRFBEMXLGYXQFJ-GFCCVEGCSA-N 1 2 265.317 -1.014 20 0 CAADLO C[C@@]1(NC(=O)c2ncc[nH]2)CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001500214273 893733604 /nfs/dbraw/zinc/73/36/04/893733604.db2.gz GQALJXMDFONMRO-GFCCVEGCSA-N 1 2 294.315 -1.201 20 0 CAADLO C[C@@]1(NC(=O)c2ncc[nH]2)CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001500214273 893733619 /nfs/dbraw/zinc/73/36/19/893733619.db2.gz GQALJXMDFONMRO-GFCCVEGCSA-N 1 2 294.315 -1.201 20 0 CAADLO Cc1cnc(C[N@@H+]2CC[C@](O)(CNC(=O)CC(N)=O)C2)o1 ZINC001500652568 893739565 /nfs/dbraw/zinc/73/95/65/893739565.db2.gz AIDRKEOTLDNICO-ZDUSSCGKSA-N 1 2 296.327 -1.089 20 0 CAADLO Cc1cnc(C[N@H+]2CC[C@](O)(CNC(=O)CC(N)=O)C2)o1 ZINC001500652568 893739571 /nfs/dbraw/zinc/73/95/71/893739571.db2.gz AIDRKEOTLDNICO-ZDUSSCGKSA-N 1 2 296.327 -1.089 20 0 CAADLO COCC(=O)NC[C@]1(O)CC[N@H+](Cc2nc(=O)n(C)[nH]2)C1 ZINC001500620004 893740454 /nfs/dbraw/zinc/74/04/54/893740454.db2.gz GATXZUNCPGAJJV-GFCCVEGCSA-N 1 2 299.331 -2.192 20 0 CAADLO COCC(=O)NC[C@]1(O)CC[N@@H+](Cc2nc(=O)n(C)[nH]2)C1 ZINC001500620004 893740468 /nfs/dbraw/zinc/74/04/68/893740468.db2.gz GATXZUNCPGAJJV-GFCCVEGCSA-N 1 2 299.331 -2.192 20 0 CAADLO COCC(=O)NC[C@@]1(O)CC[N@H+](Cc2nc(=O)n(C)[nH]2)C1 ZINC001500620005 893741110 /nfs/dbraw/zinc/74/11/10/893741110.db2.gz GATXZUNCPGAJJV-LBPRGKRZSA-N 1 2 299.331 -2.192 20 0 CAADLO COCC(=O)NC[C@@]1(O)CC[N@@H+](Cc2nc(=O)n(C)[nH]2)C1 ZINC001500620005 893741125 /nfs/dbraw/zinc/74/11/25/893741125.db2.gz GATXZUNCPGAJJV-LBPRGKRZSA-N 1 2 299.331 -2.192 20 0 CAADLO O=C(NCC1(O)C[NH+](CCCO)C1)[C@@H]1COCCO1 ZINC001500792013 893756624 /nfs/dbraw/zinc/75/66/24/893756624.db2.gz FHOPFGIOSMUELQ-JTQLQIEISA-N 1 2 274.317 -2.053 20 0 CAADLO COC[C@H](O)C[NH+]1CC(O)(CNC(=O)C(F)F)C1 ZINC001500771982 893756872 /nfs/dbraw/zinc/75/68/72/893756872.db2.gz BANNYDRSPYXYOM-SSDOTTSWSA-N 1 2 268.260 -1.578 20 0 CAADLO O=C(NCC1(O)C[NH+](CCCO)C1)C1CCOCC1 ZINC001500774097 893757269 /nfs/dbraw/zinc/75/72/69/893757269.db2.gz MVKCGRXXFPXBHC-UHFFFAOYSA-N 1 2 272.345 -1.042 20 0 CAADLO C[C@H](O)C[NH+]1CC(O)(CNC(=O)[C@@H]2CCCOC2)C1 ZINC001500803215 893759791 /nfs/dbraw/zinc/75/97/91/893759791.db2.gz HHANSXQGWURBHN-WDEREUQCSA-N 1 2 272.345 -1.043 20 0 CAADLO O=C(NCC1(O)C[NH+](CCCO)C1)c1cnsn1 ZINC001500795857 893760814 /nfs/dbraw/zinc/76/08/14/893760814.db2.gz ZCCSXOUXPMZFDT-UHFFFAOYSA-N 1 2 272.330 -1.303 20 0 CAADLO C[C@@H](O)C[NH+]1CC(O)(CNC(=O)[C@H]2CCC(=O)N2)C1 ZINC001500803472 893761019 /nfs/dbraw/zinc/76/10/19/893761019.db2.gz PJGGUWBWQKLAIR-RKDXNWHRSA-N 1 2 271.317 -2.191 20 0 CAADLO C[C@@H](O)C[NH+]1CC(O)(CNC(=O)c2cnnn2C)C1 ZINC001500826555 893762119 /nfs/dbraw/zinc/76/21/19/893762119.db2.gz LCWVWVZCXXNZRX-MRVPVSSYSA-N 1 2 269.305 -2.028 20 0 CAADLO Cc1c[nH]nc1C(=O)NCC1(O)C[NH+](C[C@@H](C)O)C1 ZINC001500831809 893762963 /nfs/dbraw/zinc/76/29/63/893762963.db2.gz FVWUCBIACFFLKT-SECBINFHSA-N 1 2 268.317 -1.125 20 0 CAADLO O=C(NCC1(O)C[NH+](CCCF)C1)[C@H]1COC(=O)N1 ZINC001500826625 893763156 /nfs/dbraw/zinc/76/31/56/893763156.db2.gz NEXUDWYKKTYVIK-MRVPVSSYSA-N 1 2 275.280 -1.383 20 0 CAADLO O=C(Cc1cc[nH]n1)NCC1(O)C[NH+](CCCO)C1 ZINC001500808873 893763392 /nfs/dbraw/zinc/76/33/92/893763392.db2.gz IWZGKGKDTVLJRP-UHFFFAOYSA-N 1 2 268.317 -1.503 20 0 CAADLO Cc1c[nH]nc1C(=O)NCC1(O)C[NH+](C[C@H](C)O)C1 ZINC001500831810 893763782 /nfs/dbraw/zinc/76/37/82/893763782.db2.gz FVWUCBIACFFLKT-VIFPVBQESA-N 1 2 268.317 -1.125 20 0 CAADLO CCn1nncc1C(=O)NCC1(O)C[NH+](C[C@@H](C)O)C1 ZINC001500832012 893763958 /nfs/dbraw/zinc/76/39/58/893763958.db2.gz NOGTXGXKOBOJNT-SECBINFHSA-N 1 2 283.332 -1.545 20 0 CAADLO O=C(CC1OCCCO1)NCC1(O)C[NH+](CCCO)C1 ZINC001500823325 893764241 /nfs/dbraw/zinc/76/42/41/893764241.db2.gz CYYDNZDXGWWJRY-UHFFFAOYSA-N 1 2 288.344 -1.315 20 0 CAADLO CC[NH+]1CC(O)(CNC(=O)c2cc(=O)n(C)cn2)C1 ZINC001500855062 893766123 /nfs/dbraw/zinc/76/61/23/893766123.db2.gz QRWANJDVKBFTJP-UHFFFAOYSA-N 1 2 266.301 -1.423 20 0 CAADLO C[C@@H](O)C[NH+]1CC(O)(CNC(=O)c2cc(=O)n(C)cn2)C1 ZINC001500854664 893766151 /nfs/dbraw/zinc/76/61/51/893766151.db2.gz AGWACCGYVNKEEX-SECBINFHSA-N 1 2 296.327 -2.062 20 0 CAADLO COCC1(C(=O)NCC2(O)C[NH+](C[C@@H](C)O)C2)CC1 ZINC001500881089 893767449 /nfs/dbraw/zinc/76/74/49/893767449.db2.gz FXUBJJXGJWOZKM-SNVBAGLBSA-N 1 2 272.345 -1.043 20 0 CAADLO CO[C@H](C)C[NH+]1CC(O)(CNC(=O)c2cn[nH]c(=O)c2)C1 ZINC001500858499 893767596 /nfs/dbraw/zinc/76/75/96/893767596.db2.gz KQARVCKJKOYQIC-SECBINFHSA-N 1 2 296.327 -1.006 20 0 CAADLO CC[NH+]1CC(O)(CNC(=O)c2cn(CCOC)nn2)C1 ZINC001500833889 893768066 /nfs/dbraw/zinc/76/80/66/893768066.db2.gz GOZXWGLHMJUEHS-UHFFFAOYSA-N 1 2 283.332 -1.279 20 0 CAADLO Cc1nn(C)cc1CC(=O)NCC1(O)C[NH+](CCCO)C1 ZINC001500855021 893768318 /nfs/dbraw/zinc/76/83/18/893768318.db2.gz OYABOWHHSSUIOQ-UHFFFAOYSA-N 1 2 296.371 -1.184 20 0 CAADLO CO[C@H](C)C[NH+]1CC(O)(CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001500912092 893769317 /nfs/dbraw/zinc/76/93/17/893769317.db2.gz GWMPKJMCCSJJHC-RKDXNWHRSA-N 1 2 286.332 -2.134 20 0 CAADLO CC[NH+]1CC(O)(CNC(=O)[C@H]2CCC(=O)N2C)C1 ZINC001500907899 893769482 /nfs/dbraw/zinc/76/94/82/893769482.db2.gz XSXAEQDGCTWENH-SECBINFHSA-N 1 2 255.318 -1.210 20 0 CAADLO COC[C@H](O)C[NH+]1CC(O)(CNC(=O)Cc2cnoc2)C1 ZINC001500907002 893770234 /nfs/dbraw/zinc/77/02/34/893770234.db2.gz IPVJOMXTICCPAV-LLVKDONJSA-N 1 2 299.327 -1.613 20 0 CAADLO COCCC[NH+]1CC(O)(CNC(=O)c2[nH]nnc2C)C1 ZINC001500897050 893771209 /nfs/dbraw/zinc/77/12/09/893771209.db2.gz GZLKRSQXURDGSF-UHFFFAOYSA-N 1 2 283.332 -1.074 20 0 CAADLO CO[C@@H](C)C[NH+]1CC(O)(CNC(=O)[C@@H](C)CC(N)=O)C1 ZINC001500900142 893771383 /nfs/dbraw/zinc/77/13/83/893771383.db2.gz ZDALAYITEYDGBM-UWVGGRQHSA-N 1 2 287.360 -1.304 20 0 CAADLO CO[C@@H](C)C[NH+]1CC(O)(CNC(=O)[C@H](C)CC(N)=O)C1 ZINC001500900144 893771617 /nfs/dbraw/zinc/77/16/17/893771617.db2.gz ZDALAYITEYDGBM-ZJUUUORDSA-N 1 2 287.360 -1.304 20 0 CAADLO CCOCC[NH+]1CC(O)(CNC(=O)[C@H]2CCN(C)C2=O)C1 ZINC001500905508 893771933 /nfs/dbraw/zinc/77/19/33/893771933.db2.gz WJORGPFGYODHQV-LLVKDONJSA-N 1 2 299.371 -1.336 20 0 CAADLO Cc1c[nH]c(C(=O)NCC2(O)C[NH+](CCCO)C2)n1 ZINC001500944956 893773071 /nfs/dbraw/zinc/77/30/71/893773071.db2.gz SDUUUNDGZQBTAQ-UHFFFAOYSA-N 1 2 268.317 -1.123 20 0 CAADLO C[C@@H]1OCC[C@@H]1C(=O)NCC1(O)C[NH+](CCCO)C1 ZINC001500953017 893773567 /nfs/dbraw/zinc/77/35/67/893773567.db2.gz NYFUMQBSYKVZMY-QWRGUYRKSA-N 1 2 272.345 -1.043 20 0 CAADLO COCC[NH+]1CC(O)(CNC(=O)c2cn(C)c(=O)[nH]2)C1 ZINC001500915065 893773882 /nfs/dbraw/zinc/77/38/82/893773882.db2.gz OCTIQKRXPJNGFK-UHFFFAOYSA-N 1 2 284.316 -1.451 20 0 CAADLO C[C@@H](O)C[NH+]1CC(O)(CNC(=O)c2n[nH]cc2F)C1 ZINC001500918346 893774159 /nfs/dbraw/zinc/77/41/59/893774159.db2.gz VRMIKECRVGWAKI-SSDOTTSWSA-N 1 2 272.280 -1.294 20 0 CAADLO COC[C@H](OC)C(=O)NCC1(O)C[NH+](CCCO)C1 ZINC001500920981 893774294 /nfs/dbraw/zinc/77/42/94/893774294.db2.gz PGBXCWSZHCGKGS-JTQLQIEISA-N 1 2 276.333 -1.807 20 0 CAADLO COCc1cc(C(=O)NCC2(O)C[NH+](C[C@H](C)O)C2)no1 ZINC001500941760 893774543 /nfs/dbraw/zinc/77/45/43/893774543.db2.gz NAIFBCKKMWGTCC-VIFPVBQESA-N 1 2 299.327 -1.022 20 0 CAADLO CO[C@@H](C)C[NH+]1CC(O)(CNC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001500924016 893774557 /nfs/dbraw/zinc/77/45/57/893774557.db2.gz DSOZIKAIMKGMBJ-AEJSXWLSSA-N 1 2 285.344 -1.694 20 0 CAADLO C[C@@H](O)C[NH+]1CC(O)(CNC(=O)c2ccc(C(N)=O)[nH]2)C1 ZINC001500926831 893775047 /nfs/dbraw/zinc/77/50/47/893775047.db2.gz MCJVPFCVSYHALI-MRVPVSSYSA-N 1 2 296.327 -1.729 20 0 CAADLO CC[C@H](C(N)=O)N1CC(O)(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001500991760 893776446 /nfs/dbraw/zinc/77/64/46/893776446.db2.gz RYELXKWFVGMQBF-SNVBAGLBSA-N 1 2 295.343 -1.690 20 0 CAADLO Cc1[nH+]c[nH]c1CC(=O)NCC1(O)CN(CC(N)=O)C1 ZINC001500971834 893776650 /nfs/dbraw/zinc/77/66/50/893776650.db2.gz KSBKBYYFSSSIJT-UHFFFAOYSA-N 1 2 281.316 -2.091 20 0 CAADLO C[C@@H](O)C[NH+]1CC(O)(CNC(=O)C[C@@H]2CC(=O)NC2=O)C1 ZINC001500994374 893776700 /nfs/dbraw/zinc/77/67/00/893776700.db2.gz QTOPVYZBGQASHZ-RKDXNWHRSA-N 1 2 299.327 -2.417 20 0 CAADLO C[C@H](O)C[NH+]1CC(O)(CNC(=O)C[C@@H]2CC(=O)NC2=O)C1 ZINC001500994372 893777124 /nfs/dbraw/zinc/77/71/24/893777124.db2.gz QTOPVYZBGQASHZ-DTWKUNHWSA-N 1 2 299.327 -2.417 20 0 CAADLO C[C@@H](O)C[NH+]1CC(O)(CNC(=O)Cn2ccccc2=O)C1 ZINC001500977034 893777479 /nfs/dbraw/zinc/77/74/79/893777479.db2.gz USVLXZOYRWEBFK-LLVKDONJSA-N 1 2 295.339 -1.608 20 0 CAADLO O=C(Cn1cc[nH+]c1)NCC1(O)CN(CCO)C1 ZINC001500991116 893777559 /nfs/dbraw/zinc/77/75/59/893777559.db2.gz HLQXNAFLURPWSX-UHFFFAOYSA-N 1 2 254.290 -1.962 20 0 CAADLO C[C@@H](O)CCC[NH+]1CC(O)(CNC(=O)Cn2cncn2)C1 ZINC001500975204 893777763 /nfs/dbraw/zinc/77/77/63/893777763.db2.gz GUNCUMVZHLPCDE-LLVKDONJSA-N 1 2 297.359 -1.398 20 0 CAADLO C[C@H](O)C[NH+]1CC(O)(CNC(=O)Cn2ccccc2=O)C1 ZINC001500977035 893778109 /nfs/dbraw/zinc/77/81/09/893778109.db2.gz USVLXZOYRWEBFK-NSHDSACASA-N 1 2 295.339 -1.608 20 0 CAADLO C[C@H](O)CCC[NH+]1CC(O)(CNC(=O)Cn2cncn2)C1 ZINC001500975205 893778331 /nfs/dbraw/zinc/77/83/31/893778331.db2.gz GUNCUMVZHLPCDE-NSHDSACASA-N 1 2 297.359 -1.398 20 0 CAADLO CNC(=O)C[N@@H+]1CCC[C@](CO)(NC(=O)[C@@H]2CCOC2)C1 ZINC001501307521 893784263 /nfs/dbraw/zinc/78/42/63/893784263.db2.gz JRBQAGNJZXDBGX-RISCZKNCSA-N 1 2 299.371 -1.288 20 0 CAADLO CNC(=O)C[N@H+]1CCC[C@](CO)(NC(=O)[C@@H]2CCOC2)C1 ZINC001501307521 893784269 /nfs/dbraw/zinc/78/42/69/893784269.db2.gz JRBQAGNJZXDBGX-RISCZKNCSA-N 1 2 299.371 -1.288 20 0 CAADLO NC(=O)C(=O)NC[C@H]1CCC[C@@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC001501367004 893787328 /nfs/dbraw/zinc/78/73/28/893787328.db2.gz WGBZQJAMALHXLT-SCZZXKLOSA-N 1 2 293.327 -1.161 20 0 CAADLO CC(=O)NC[C@H](O)CNC(=O)Cc1c[nH+]cn1C ZINC001501368943 893788788 /nfs/dbraw/zinc/78/87/88/893788788.db2.gz HJYAGFRSEZXRNF-JTQLQIEISA-N 1 2 254.290 -1.424 20 0 CAADLO Cn1[nH]c(C[NH2+]CCN(CCO)C(=O)C(F)F)nc1=O ZINC001501429168 893794239 /nfs/dbraw/zinc/79/42/39/893794239.db2.gz FOURGRXJAGWAMR-UHFFFAOYSA-N 1 2 293.274 -1.716 20 0 CAADLO COC[C@@H](C)C(=O)NC[C@H](O)CNC(=O)Cn1cc[nH+]c1 ZINC001501456318 893799311 /nfs/dbraw/zinc/79/93/11/893799311.db2.gz LHSSIFNRVSYJDH-GHMZBOCLSA-N 1 2 298.343 -1.241 20 0 CAADLO CO[C@@H](C)CC(=O)NC[C@H](O)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001501453156 893800475 /nfs/dbraw/zinc/80/04/75/893800475.db2.gz SXPAPZYTVNPBKU-UWVGGRQHSA-N 1 2 298.343 -1.030 20 0 CAADLO CCc1cnc(C[NH2+]CCN(CCO)C(=O)C(N)=O)o1 ZINC001501487977 893809667 /nfs/dbraw/zinc/80/96/67/893809667.db2.gz RRJKJAWHLYQYKG-UHFFFAOYSA-N 1 2 284.316 -1.367 20 0 CAADLO O=C(c1nc[nH]n1)N(CCO)CC[NH2+]Cc1cnsn1 ZINC001501501330 893812859 /nfs/dbraw/zinc/81/28/59/893812859.db2.gz YIMCEQRDACGYRP-UHFFFAOYSA-N 1 2 297.344 -1.120 20 0 CAADLO Cn1nnc(C[NH2+]CC[C@@H]2CCN(C(=O)CC(N)=O)C2)n1 ZINC001501548644 893819081 /nfs/dbraw/zinc/81/90/81/893819081.db2.gz ZWGJBAURJVSFOY-SECBINFHSA-N 1 2 295.347 -1.586 20 0 CAADLO CNC(=O)NCC(=O)NC[C@@H]1COCC[N@@H+]1C[C@@H](C)O ZINC001501784131 893824936 /nfs/dbraw/zinc/82/49/36/893824936.db2.gz QKNTWGJXVMLLMY-NXEZZACHSA-N 1 2 288.348 -1.887 20 0 CAADLO Cn1c[nH+]cc1CC(=O)NC/C=C/CNC(=O)CC(N)=O ZINC001501749778 893824862 /nfs/dbraw/zinc/82/48/62/893824862.db2.gz AHGJANLWKJBEPY-NSCUHMNNSA-N 1 2 293.327 -1.373 20 0 CAADLO CNC(=O)NCC(=O)NC[C@@H]1COCC[N@H+]1C[C@@H](C)O ZINC001501784131 893824950 /nfs/dbraw/zinc/82/49/50/893824950.db2.gz QKNTWGJXVMLLMY-NXEZZACHSA-N 1 2 288.348 -1.887 20 0 CAADLO NC(=O)CC(=O)NC/C=C/CNC(=O)Cn1cc[nH+]c1 ZINC001501751005 893826841 /nfs/dbraw/zinc/82/68/41/893826841.db2.gz VUFYZADFNHCLHS-OWOJBTEDSA-N 1 2 279.300 -1.453 20 0 CAADLO CCC(=O)NCC(=O)NC[C@H]1COCC[N@@H+]1CCCO ZINC001501765419 893827595 /nfs/dbraw/zinc/82/75/95/893827595.db2.gz BSRJNHQWIXXPLD-NSHDSACASA-N 1 2 287.360 -1.288 20 0 CAADLO CCC(=O)NCC(=O)NC[C@H]1COCC[N@H+]1CCCO ZINC001501765419 893827613 /nfs/dbraw/zinc/82/76/13/893827613.db2.gz BSRJNHQWIXXPLD-NSHDSACASA-N 1 2 287.360 -1.288 20 0 CAADLO C[C@H](CNC(=O)CC(N)=O)NC(=O)CCc1c[nH]c[nH+]1 ZINC001502383785 893844194 /nfs/dbraw/zinc/84/41/94/893844194.db2.gz FTYBYNHJRMCXBB-MRVPVSSYSA-N 1 2 281.316 -1.161 20 0 CAADLO C[C@H](CNC(=O)CC(N)=O)NC(=O)CCc1c[nH+]c[nH]1 ZINC001502383785 893844208 /nfs/dbraw/zinc/84/42/08/893844208.db2.gz FTYBYNHJRMCXBB-MRVPVSSYSA-N 1 2 281.316 -1.161 20 0 CAADLO C[C@H](CNC(=O)C(N)=O)NC(=O)Cc1c[nH+]cn1C ZINC001502471307 893849146 /nfs/dbraw/zinc/84/91/46/893849146.db2.gz HXIDKYLKMJFZMA-SSDOTTSWSA-N 1 2 267.289 -1.931 20 0 CAADLO COC[C@@H](OC)C(=O)N[C@H]1COC2(C[NH+](CCO)C2)C1 ZINC001502464217 893849633 /nfs/dbraw/zinc/84/96/33/893849633.db2.gz GDPGCPFGQYBULY-GHMZBOCLSA-N 1 2 288.344 -1.400 20 0 CAADLO CCC(=O)NCC(=O)N[C@H]1COC2(C[NH+](C[C@H](C)O)C2)C1 ZINC001502449976 893850705 /nfs/dbraw/zinc/85/07/05/893850705.db2.gz FKXKSQLCYWJROJ-WDEREUQCSA-N 1 2 299.371 -1.147 20 0 CAADLO CO[C@H](C)C[NH+]1CC2(C1)C[C@H](NC(=O)CC(N)=O)CO2 ZINC001502452571 893850909 /nfs/dbraw/zinc/85/09/09/893850909.db2.gz AQAQIIMCARIRQA-ZJUUUORDSA-N 1 2 285.344 -1.144 20 0 CAADLO CC(=O)N[C@@H](C)C(=O)N[C@H]1COC2(C[NH+](CCCO)C2)C1 ZINC001502445706 893851327 /nfs/dbraw/zinc/85/13/27/893851327.db2.gz SBQGCAGUWADEAJ-CMPLNLGQSA-N 1 2 299.371 -1.147 20 0 CAADLO CC(=O)N[C@@H](C)C(=O)N[C@@H]1COC2(C[NH+](CCCO)C2)C1 ZINC001502445708 893852530 /nfs/dbraw/zinc/85/25/30/893852530.db2.gz SBQGCAGUWADEAJ-JQWIXIFHSA-N 1 2 299.371 -1.147 20 0 CAADLO C[C@H](CNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21)NC(=O)C(N)=O ZINC001502603975 893854030 /nfs/dbraw/zinc/85/40/30/893854030.db2.gz HRHZUKVYBWVZIR-HTQZYQBOSA-N 1 2 293.327 -1.064 20 0 CAADLO C[C@H](CNC(=O)C[C@@H](C)n1cc[nH+]c1)NC(=O)C(N)=O ZINC001502603915 893855273 /nfs/dbraw/zinc/85/52/73/893855273.db2.gz CZYGXSBLSCRXSJ-RKDXNWHRSA-N 1 2 281.316 -1.060 20 0 CAADLO Cn1cc(C[NH2+][C@]2(CO)CCCN(C(=O)C(N)=O)C2)nn1 ZINC001502585896 893856496 /nfs/dbraw/zinc/85/64/96/893856496.db2.gz AHBHKRABACBXOG-GFCCVEGCSA-N 1 2 296.331 -2.257 20 0 CAADLO NC(=O)NC(=O)C[NH+]1CCC(CO)(NC(=O)C2CC2)CC1 ZINC001503772362 893867045 /nfs/dbraw/zinc/86/70/45/893867045.db2.gz YQZVREYNCZDVMK-UHFFFAOYSA-N 1 2 298.343 -1.466 20 0 CAADLO NC(=O)CC(=O)NC1(CO)CC[NH+](CC(N)=O)CC1 ZINC001503873641 893869108 /nfs/dbraw/zinc/86/91/08/893869108.db2.gz DCOILQPZUCKRRX-UHFFFAOYSA-N 1 2 272.305 -2.710 20 0 CAADLO NC(=O)C[NH+]1CCC(CO)(NC(=O)C2CCOCC2)CC1 ZINC001503770288 893869443 /nfs/dbraw/zinc/86/94/43/893869443.db2.gz GQZJZOAKDPUQMM-UHFFFAOYSA-N 1 2 299.371 -1.159 20 0 CAADLO NC(=O)C[NH+]1CCC(CO)(NC(=O)COCC2CC2)CC1 ZINC001503855641 893869989 /nfs/dbraw/zinc/86/99/89/893869989.db2.gz FIQZGAZIYVUAAE-UHFFFAOYSA-N 1 2 299.371 -1.159 20 0 CAADLO Cn1cnc(C(=O)NC2(CO)CC[NH+](CC(N)=O)CC2)n1 ZINC001505363449 893871285 /nfs/dbraw/zinc/87/12/85/893871285.db2.gz REGPRCHNZQAOPE-UHFFFAOYSA-N 1 2 296.331 -2.143 20 0 CAADLO C[C@@H](CNC(=O)C1(C(N)=O)CC1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001505395996 893871355 /nfs/dbraw/zinc/87/13/55/893871355.db2.gz RCZSJIIVBGUEMF-QMMMGPOBSA-N 1 2 293.327 -1.161 20 0 CAADLO C[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)NC(=O)C(N)=O ZINC001505402222 893872988 /nfs/dbraw/zinc/87/29/88/893872988.db2.gz UURVTYBUZLRKDD-LURJTMIESA-N 1 2 253.262 -1.942 20 0 CAADLO CC(C)[C@@H](O)C(=O)NC1(CO)CC[NH+](CC(N)=O)CC1 ZINC001505363570 893874613 /nfs/dbraw/zinc/87/46/13/893874613.db2.gz TWSCQNLEHAAXPR-LLVKDONJSA-N 1 2 287.360 -1.568 20 0 CAADLO CCCCn1nnnc1C[NH2+][C@H](C)[C@H](C)NC(=O)C(N)=O ZINC001505682401 893888769 /nfs/dbraw/zinc/88/87/69/893888769.db2.gz SFBIBVLEDDCECD-BDAKNGLRSA-N 1 2 297.363 -1.059 20 0 CAADLO C[C@@H]([NH2+]Cc1nnn(C)n1)[C@H](C)NC(=O)CCCC(N)=O ZINC001505765438 893893150 /nfs/dbraw/zinc/89/31/50/893893150.db2.gz SKPVLQADTGKAAQ-BDAKNGLRSA-N 1 2 297.363 -1.152 20 0 CAADLO C[C@H](CNC(=O)Cn1cnnn1)[N@H+](C)Cc1cnnn1C ZINC001505866015 893898747 /nfs/dbraw/zinc/89/87/47/893898747.db2.gz DWTFXEBVCKXUTK-SECBINFHSA-N 1 2 293.335 -1.562 20 0 CAADLO C[C@H](CNC(=O)Cn1cnnn1)[N@@H+](C)Cc1cnnn1C ZINC001505866015 893898765 /nfs/dbraw/zinc/89/87/65/893898765.db2.gz DWTFXEBVCKXUTK-SECBINFHSA-N 1 2 293.335 -1.562 20 0 CAADLO CC(=O)NCC(=O)NCC1(NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001505925112 893906035 /nfs/dbraw/zinc/90/60/35/893906035.db2.gz RYNQJCYFYILEGZ-UHFFFAOYSA-N 1 2 293.327 -1.147 20 0 CAADLO CC(=O)NCC(=O)NCC1(NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001505924066 893907811 /nfs/dbraw/zinc/90/78/11/893907811.db2.gz CPWOYFXKCAQZGS-UHFFFAOYSA-N 1 2 293.327 -1.147 20 0 CAADLO CCN(C(=O)C[N@H+](C)[C@H](C)CNC(=O)C(N)=O)C1CC1 ZINC001505993461 893910007 /nfs/dbraw/zinc/91/00/07/893910007.db2.gz XAXNIGQSCZWXHR-SECBINFHSA-N 1 2 284.360 -1.081 20 0 CAADLO CCN(C(=O)C[N@@H+](C)[C@H](C)CNC(=O)C(N)=O)C1CC1 ZINC001505993461 893910018 /nfs/dbraw/zinc/91/00/18/893910018.db2.gz XAXNIGQSCZWXHR-SECBINFHSA-N 1 2 284.360 -1.081 20 0 CAADLO C[C@H](CNC(=O)C(N)=O)[N@H+](C)CC(=O)NC1CC1 ZINC001505993059 893911255 /nfs/dbraw/zinc/91/12/55/893911255.db2.gz NKIMNAJPWJTVPT-SSDOTTSWSA-N 1 2 256.306 -1.813 20 0 CAADLO COc1cncc(C[N@H+](C)[C@H](C)CNC(=O)C(N)=O)n1 ZINC001505991619 893911654 /nfs/dbraw/zinc/91/16/54/893911654.db2.gz WWTVUQPQCOBATN-MRVPVSSYSA-N 1 2 281.316 -1.093 20 0 CAADLO COc1cncc(C[N@@H+](C)[C@H](C)CNC(=O)C(N)=O)n1 ZINC001505991619 893911663 /nfs/dbraw/zinc/91/16/63/893911663.db2.gz WWTVUQPQCOBATN-MRVPVSSYSA-N 1 2 281.316 -1.093 20 0 CAADLO C[C@@H](CNC(=O)C(N)=O)[N@H+](C)CC(=O)NCC(F)(F)F ZINC001505993485 893913556 /nfs/dbraw/zinc/91/35/56/893913556.db2.gz XJRJEROADIIKCX-LURJTMIESA-N 1 2 298.265 -1.413 20 0 CAADLO C[C@@H](CNC(=O)C(N)=O)[N@@H+](C)CC(=O)NCC(F)(F)F ZINC001505993485 893913567 /nfs/dbraw/zinc/91/35/67/893913567.db2.gz XJRJEROADIIKCX-LURJTMIESA-N 1 2 298.265 -1.413 20 0 CAADLO CC(=O)N(C)CC(=O)NC1(CCO)C[NH+](C[C@@H](C)O)C1 ZINC001506080983 893915633 /nfs/dbraw/zinc/91/56/33/893915633.db2.gz PARMAYGUHOSEOL-SNVBAGLBSA-N 1 2 287.360 -1.602 20 0 CAADLO CC(=O)N[C@@H](C)C(=O)NC1(CCO)C[NH+](C[C@H](C)O)C1 ZINC001506078294 893916090 /nfs/dbraw/zinc/91/60/90/893916090.db2.gz RFLPUPZPSXAVQQ-UWVGGRQHSA-N 1 2 287.360 -1.555 20 0 CAADLO COCC[NH+]1CC(CCO)(NC(=O)CNC(C)=O)C1 ZINC001506076778 893916221 /nfs/dbraw/zinc/91/62/21/893916221.db2.gz RMTDYCWGHSODQJ-UHFFFAOYSA-N 1 2 273.333 -1.678 20 0 CAADLO O=C(Cn1cnnn1)NC1(CCO)C[NH+](CCO)C1 ZINC001506078130 893916811 /nfs/dbraw/zinc/91/68/11/893916811.db2.gz KYMVREWWFDLWCP-UHFFFAOYSA-N 1 2 270.293 -2.782 20 0 CAADLO C[C@H](O)C[NH+]1CC(CCO)(NC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001506119498 893920497 /nfs/dbraw/zinc/92/04/97/893920497.db2.gz ZITNSTYDDBPTHU-AEJSXWLSSA-N 1 2 285.344 -1.958 20 0 CAADLO C[C@H](O)C[NH+]1CC(CCO)(NC(=O)[C@]2(C)CCC(=O)N2)C1 ZINC001506118576 893920552 /nfs/dbraw/zinc/92/05/52/893920552.db2.gz QSSQZMWOIKGZKT-GWCFXTLKSA-N 1 2 299.371 -1.411 20 0 CAADLO O=C(C[C@H]1COC(=O)C1)NC1(CCO)C[NH+](CCO)C1 ZINC001506090814 893920674 /nfs/dbraw/zinc/92/06/74/893920674.db2.gz YUEXRBUIOZDXBZ-SNVBAGLBSA-N 1 2 286.328 -1.515 20 0 CAADLO COC[C@H](C)[NH+]1CC(CCO)(NC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001506119267 893920778 /nfs/dbraw/zinc/92/07/78/893920778.db2.gz PSLURHQOLIXOFF-AXFHLTTASA-N 1 2 299.371 -1.304 20 0 CAADLO NC(=O)CN1CC(CCO)(NC(=O)CCn2cc[nH+]c2)C1 ZINC001506110212 893920828 /nfs/dbraw/zinc/92/08/28/893920828.db2.gz IEBBHSGSLPECSC-UHFFFAOYSA-N 1 2 295.343 -1.689 20 0 CAADLO O=C(Cc1cc[nH]n1)NC1(CCO)C[NH+](CCO)C1 ZINC001506087444 893921113 /nfs/dbraw/zinc/92/11/13/893921113.db2.gz HTKDEACGMMUSII-UHFFFAOYSA-N 1 2 268.317 -1.503 20 0 CAADLO O=C(NC1(CCO)C[NH+](CCCO)C1)c1cn[nH]c(=O)c1 ZINC001506102773 893921356 /nfs/dbraw/zinc/92/13/56/893921356.db2.gz ZRVARQMZHMNDNU-UHFFFAOYSA-N 1 2 296.327 -1.269 20 0 CAADLO C[C@@H](O)C[NH+]1CC(CCO)(NC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001506119499 893924203 /nfs/dbraw/zinc/92/42/03/893924203.db2.gz ZITNSTYDDBPTHU-BBBLOLIVSA-N 1 2 285.344 -1.958 20 0 CAADLO NC(=O)CN1CC(CCO)(NC(=O)Cn2cc[nH+]c2)C1 ZINC001506143631 893924776 /nfs/dbraw/zinc/92/47/76/893924776.db2.gz QVZAPSJYVVJWEA-UHFFFAOYSA-N 1 2 281.316 -2.079 20 0 CAADLO CC[NH+]1CC(CCO)(NC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001506127327 893925707 /nfs/dbraw/zinc/92/57/07/893925707.db2.gz XMZRIMWHSWUMMA-QMMMGPOBSA-N 1 2 284.316 -1.843 20 0 CAADLO C[C@H](O)C[NH+]1CC(CCO)(NC(=O)CCn2cnnn2)C1 ZINC001506122779 893926098 /nfs/dbraw/zinc/92/60/98/893926098.db2.gz HBWBPMWGJNNNMN-JTQLQIEISA-N 1 2 298.347 -2.003 20 0 CAADLO C[C@@]1(NC(=O)CCc2c[nH]c[nH+]2)CCN(C(=O)C(N)=O)C1 ZINC001506459568 893930348 /nfs/dbraw/zinc/93/03/48/893930348.db2.gz HJKSNZBCIABXNR-CYBMUJFWSA-N 1 2 293.327 -1.065 20 0 CAADLO C[C@@]1(NC(=O)CCc2c[nH+]c[nH]2)CCN(C(=O)C(N)=O)C1 ZINC001506459568 893930362 /nfs/dbraw/zinc/93/03/62/893930362.db2.gz HJKSNZBCIABXNR-CYBMUJFWSA-N 1 2 293.327 -1.065 20 0 CAADLO COCCC(=O)N[C@H](C)C1C[NH+](CC(=O)NC(N)=O)C1 ZINC001506581558 893931740 /nfs/dbraw/zinc/93/17/40/893931740.db2.gz DVRQLIZAEZYUFW-MRVPVSSYSA-N 1 2 286.332 -1.346 20 0 CAADLO CCCC[C@H](C[NH2+]Cc1nnnn1C)NC(=O)C(N)=O ZINC001506548490 893931928 /nfs/dbraw/zinc/93/19/28/893931928.db2.gz WYRKGAJNSAXFDT-MRVPVSSYSA-N 1 2 283.336 -1.540 20 0 CAADLO C[C@@H](NC(=O)Cc1cc[nH]n1)C1C[NH+](CC(N)=O)C1 ZINC001506604668 893934518 /nfs/dbraw/zinc/93/45/18/893934518.db2.gz ODLCEHRZJNYLOF-MRVPVSSYSA-N 1 2 265.317 -1.126 20 0 CAADLO Cc1nnc(CC(=O)N[C@H](C)C2C[NH+](CC(N)=O)C2)[nH]1 ZINC001506624605 893934744 /nfs/dbraw/zinc/93/47/44/893934744.db2.gz VGXZPJYMPHDSSN-SSDOTTSWSA-N 1 2 280.332 -1.423 20 0 CAADLO CCNC(=O)C[NH+]1CC([C@H](C)NC(=O)[C@H](C)NC(N)=O)C1 ZINC001506623702 893935823 /nfs/dbraw/zinc/93/58/23/893935823.db2.gz YXVFPPKYAUOOER-IUCAKERBSA-N 1 2 299.375 -1.384 20 0 CAADLO C[C@H](C(=O)N[C@@H](C)C1C[NH+](CC(N)=O)C1)n1cncn1 ZINC001506606758 893936114 /nfs/dbraw/zinc/93/61/14/893936114.db2.gz BLMOBJGTOGZZSB-DTWKUNHWSA-N 1 2 280.332 -1.239 20 0 CAADLO C[C@H](NC(=O)CN1CCCCC1=O)C1C[NH+](CC(N)=O)C1 ZINC001506640609 893936434 /nfs/dbraw/zinc/93/64/34/893936434.db2.gz KSPUJXBNRLACDD-JTQLQIEISA-N 1 2 296.371 -1.079 20 0 CAADLO C[C@@H](NC(=O)C[C@H]1CC(=O)NC1=O)C1C[NH+](CC(N)=O)C1 ZINC001506682409 893936637 /nfs/dbraw/zinc/93/66/37/893936637.db2.gz UIAVLESSHYGRLF-SFYZADRCSA-N 1 2 296.327 -2.039 20 0 CAADLO C[C@H](NC(=O)C[C@H]1CCNC1=O)C1C[NH+](CC(N)=O)C1 ZINC001506628137 893936920 /nfs/dbraw/zinc/93/69/20/893936920.db2.gz UKMGXRWXMCTWRX-DTWKUNHWSA-N 1 2 282.344 -1.566 20 0 CAADLO COCCOCC(=O)N[C@@H]1C[N@H+](CC(N)=O)CC1(C)C ZINC001506734644 893938847 /nfs/dbraw/zinc/93/88/47/893938847.db2.gz GTQDZHDFILGMCT-SNVBAGLBSA-N 1 2 287.360 -1.039 20 0 CAADLO COCCOCC(=O)N[C@@H]1C[N@@H+](CC(N)=O)CC1(C)C ZINC001506734644 893938860 /nfs/dbraw/zinc/93/88/60/893938860.db2.gz GTQDZHDFILGMCT-SNVBAGLBSA-N 1 2 287.360 -1.039 20 0 CAADLO Cc1nnc(C[N@H+]2C[C@@H]3[C@@H](CNC(=O)C(N)=O)[C@@H]3C2)[nH]1 ZINC001506800971 893944359 /nfs/dbraw/zinc/94/43/59/893944359.db2.gz CPMWEPGEGKDCJW-PSVAKVPMSA-N 1 2 278.316 -1.608 20 0 CAADLO Cc1nnc(C[N@@H+]2C[C@@H]3[C@@H](CNC(=O)C(N)=O)[C@@H]3C2)[nH]1 ZINC001506800971 893944367 /nfs/dbraw/zinc/94/43/67/893944367.db2.gz CPMWEPGEGKDCJW-PSVAKVPMSA-N 1 2 278.316 -1.608 20 0 CAADLO C[C@@H](CN(C)C(=O)C(N)=O)[NH2+]Cc1nnnn1C(C)(C)C ZINC001507116868 893959203 /nfs/dbraw/zinc/95/92/03/893959203.db2.gz IGXYMXYAWQJOKM-QMMMGPOBSA-N 1 2 297.363 -1.150 20 0 CAADLO C[C@H](CN(C)C(=O)Cc1ncn[nH]1)[NH2+][C@@H](C)C(N)=O ZINC001507144980 893960620 /nfs/dbraw/zinc/96/06/20/893960620.db2.gz RMYRUBNXGZUNAV-SFYZADRCSA-N 1 2 268.321 -1.343 20 0 CAADLO CCn1ncnc1C[NH2+][C@@H](C)CN(C)C(=O)C(N)=O ZINC001507116147 893961134 /nfs/dbraw/zinc/96/11/34/893961134.db2.gz FHTSGUGFVZWFKV-QMMMGPOBSA-N 1 2 268.321 -1.280 20 0 CAADLO C[C@H](CN(C)C(=O)Cc1ncn[nH]1)[NH2+][C@H](C)C(N)=O ZINC001507144978 893962415 /nfs/dbraw/zinc/96/24/15/893962415.db2.gz RMYRUBNXGZUNAV-HTQZYQBOSA-N 1 2 268.321 -1.343 20 0 CAADLO Cn1nnnc1C[NH2+][C@H](CO)CNC(=O)c1ccccn1 ZINC001507167756 893964210 /nfs/dbraw/zinc/96/42/10/893964210.db2.gz NTZLKBRZXWQMSD-VIFPVBQESA-N 1 2 291.315 -1.514 20 0 CAADLO COCC(=O)NC[C@H](CO)[NH2+][C@H](C)c1nnc(C)[nH]1 ZINC001507167608 893964561 /nfs/dbraw/zinc/96/45/61/893964561.db2.gz LJAMULAULWVIMP-VXNVDRBHSA-N 1 2 271.321 -1.113 20 0 CAADLO COCC(=O)NC[C@H](CO)[NH2+]Cc1ncnn1C ZINC001507168759 893965102 /nfs/dbraw/zinc/96/51/02/893965102.db2.gz RAXZOARVQJBGRB-MRVPVSSYSA-N 1 2 257.294 -1.972 20 0 CAADLO CCn1ncnc1C[NH2+][C@H](CO)CNC(=O)COC ZINC001507168399 893966719 /nfs/dbraw/zinc/96/67/19/893966719.db2.gz PLTKSEFUULRIQJ-VIFPVBQESA-N 1 2 271.321 -1.489 20 0 CAADLO CCn1ncc(C[NH2+][C@H](CO)CNC(=O)CNC(C)=O)n1 ZINC001507167740 893966946 /nfs/dbraw/zinc/96/69/46/893966946.db2.gz NNGSGZTVQANKGD-NSHDSACASA-N 1 2 298.347 -1.999 20 0 CAADLO Cn1ncnc1C[NH2+][C@H](CO)CNC(=O)[C@@H]1CCCO1 ZINC001507174178 893970709 /nfs/dbraw/zinc/97/07/09/893970709.db2.gz HVTHOTRSAJPJCI-UWVGGRQHSA-N 1 2 283.332 -1.439 20 0 CAADLO C[C@@H]([NH2+][C@@H](CO)CNC(=O)c1ccc[nH]1)c1nnnn1C ZINC001507173290 893971307 /nfs/dbraw/zinc/97/13/07/893971307.db2.gz RYZVUNYMFKERSD-RKDXNWHRSA-N 1 2 293.331 -1.020 20 0 CAADLO Cc1nonc1C[NH2+][C@H](CO)CNC(=O)c1cn[nH]c1 ZINC001507178911 893973571 /nfs/dbraw/zinc/97/35/71/893973571.db2.gz UXLWGVPYAUQRTH-VIFPVBQESA-N 1 2 280.288 -1.018 20 0 CAADLO Cn1cnnc1C[NH2+][C@H](CO)CNC(=O)c1ccon1 ZINC001507179146 893973638 /nfs/dbraw/zinc/97/36/38/893973638.db2.gz KBWTWNXMXXSGAW-QMMMGPOBSA-N 1 2 280.288 -1.316 20 0 CAADLO Cc1nnc(C[NH2+][C@H](CO)CNC(=O)c2ccn[nH]2)[nH]1 ZINC001507177297 893974473 /nfs/dbraw/zinc/97/44/73/893974473.db2.gz NYBJABXVNGDSOS-QMMMGPOBSA-N 1 2 279.304 -1.283 20 0 CAADLO CCn1ncnc1C[NH2+][C@H](CO)CNC(=O)c1ccn[nH]1 ZINC001507178517 893974550 /nfs/dbraw/zinc/97/45/50/893974550.db2.gz RWACNNPZICXONV-VIFPVBQESA-N 1 2 293.331 -1.098 20 0 CAADLO Cn1cnnc1C[NH2+][C@H](CO)CNC(=O)c1cnsn1 ZINC001507177661 893974658 /nfs/dbraw/zinc/97/46/58/893974658.db2.gz BQMSEWVNRVFIEA-ZETCQYMHSA-N 1 2 297.344 -1.453 20 0 CAADLO Cn1nnnc1C[NH2+][C@@H](CO)CNC(=O)[C@H]1CCC(=O)N1 ZINC001507179807 893975800 /nfs/dbraw/zinc/97/58/00/893975800.db2.gz RMWACGNCWDQKPD-HTQZYQBOSA-N 1 2 297.319 -2.945 20 0 CAADLO C[C@@H]([NH2+][C@H](CO)CNC(=O)c1ccon1)c1nnnn1C ZINC001507178538 893975845 /nfs/dbraw/zinc/97/58/45/893975845.db2.gz IJTFXHGZDHJHSV-SFYZADRCSA-N 1 2 295.303 -1.360 20 0 CAADLO CCn1cc(C[NH2+][C@@H](CO)CNC(=O)CC(N)=O)nn1 ZINC001507184113 893977330 /nfs/dbraw/zinc/97/73/30/893977330.db2.gz XETWGVQVSVFVCM-SECBINFHSA-N 1 2 284.320 -2.260 20 0 CAADLO O=C(NC[C@@H](CO)[NH2+]Cc1ccon1)[C@H]1CCNC(=O)C1 ZINC001507190503 893981599 /nfs/dbraw/zinc/98/15/99/893981599.db2.gz URDJDLNQLLIGEA-ONGXEEELSA-N 1 2 296.327 -1.233 20 0 CAADLO CC(C)[C@@H](O)C(=O)NC[C@@H](CO)[NH2+]Cc1cn(C)nn1 ZINC001507189813 893981812 /nfs/dbraw/zinc/98/18/12/893981812.db2.gz TTZQNNNIXAGATM-WDEREUQCSA-N 1 2 285.348 -1.601 20 0 CAADLO CC(C)[C@@H](O)C(=O)NC[C@H](CO)[NH2+]Cc1nncn1C ZINC001507189609 893983019 /nfs/dbraw/zinc/98/30/19/893983019.db2.gz RKRFBOCGVGMCFD-MWLCHTKSSA-N 1 2 285.348 -1.601 20 0 CAADLO CN(C)C(=O)C[NH2+][C@H](CO)CNC(=O)CCc1nc[nH]n1 ZINC001507185042 893983960 /nfs/dbraw/zinc/98/39/60/893983960.db2.gz IBKBBTYGBJBLAM-VIFPVBQESA-N 1 2 298.347 -2.108 20 0 CAADLO CC(C)[C@@H](O)C(=O)NC[C@@H](CO)[NH2+]Cc1nncn1C ZINC001507189606 893985151 /nfs/dbraw/zinc/98/51/51/893985151.db2.gz RKRFBOCGVGMCFD-GXSJLCMTSA-N 1 2 285.348 -1.601 20 0 CAADLO Cn1cc(C[NH2+][C@@H](CO)CNC(=O)[C@H]2CCCCO2)nn1 ZINC001507187937 893985197 /nfs/dbraw/zinc/98/51/97/893985197.db2.gz IFMZJBUUYWNXMO-VXGBXAGGSA-N 1 2 297.359 -1.049 20 0 CAADLO O=C(NC[C@H](CO)[NH2+]Cc1ccon1)[C@@H]1CCNC(=O)C1 ZINC001507190501 893985314 /nfs/dbraw/zinc/98/53/14/893985314.db2.gz URDJDLNQLLIGEA-MWLCHTKSSA-N 1 2 296.327 -1.233 20 0 CAADLO Cc1conc1C[NH2+][C@H](CO)CNC(=O)c1ncn(C)n1 ZINC001507191574 893986803 /nfs/dbraw/zinc/98/68/03/893986803.db2.gz ZGHMDKSTUQHSGQ-VIFPVBQESA-N 1 2 294.315 -1.008 20 0 CAADLO CO[C@H](C(=O)NC[C@@H](CO)[NH2+]Cc1nnnn1C)C1CC1 ZINC001507196768 893988296 /nfs/dbraw/zinc/98/82/96/893988296.db2.gz UHLJOBPZIHNXBP-ONGXEEELSA-N 1 2 298.347 -1.798 20 0 CAADLO Cc1nc(C[NH2+][C@@H](CO)CNC(=O)c2cnnn2C)co1 ZINC001507192684 893989428 /nfs/dbraw/zinc/98/94/28/893989428.db2.gz FVYKMAYQEZHUKF-SECBINFHSA-N 1 2 294.315 -1.008 20 0 CAADLO CNC(=O)C[NH2+][C@@H](CO)CNC(=O)[C@@H](F)C(F)(F)F ZINC001507197769 893991130 /nfs/dbraw/zinc/99/11/30/893991130.db2.gz GLYUZWUOEAPVDF-IYSWYEEDSA-N 1 2 289.229 -1.301 20 0 CAADLO CNC(=O)C[NH2+][C@@H](CO)CNC(=O)C(F)C(F)(F)F ZINC001507197769 893991122 /nfs/dbraw/zinc/99/11/22/893991122.db2.gz GLYUZWUOEAPVDF-IYSWYEEDSA-N 1 2 289.229 -1.301 20 0 CAADLO CNC(=O)C[NH2+][C@@H](CO)CNC(=O)C(F)C(F)(F)F ZINC001507197770 893991331 /nfs/dbraw/zinc/99/13/31/893991331.db2.gz GLYUZWUOEAPVDF-VDTYLAMSSA-N 1 2 289.229 -1.301 20 0 CAADLO CNC(=O)C[NH2+][C@@H](CO)CNC(=O)[C@H](F)C(F)(F)F ZINC001507197770 893991342 /nfs/dbraw/zinc/99/13/42/893991342.db2.gz GLYUZWUOEAPVDF-VDTYLAMSSA-N 1 2 289.229 -1.301 20 0 CAADLO CNC(=O)NCC(=O)NC[C@H](CO)[NH2+]Cc1coc(C)n1 ZINC001507202903 893992203 /nfs/dbraw/zinc/99/22/03/893992203.db2.gz LYUPNJAGVSXGTE-SECBINFHSA-N 1 2 299.331 -1.521 20 0 CAADLO Cc1oncc1C[NH2+][C@H](CO)CNC(=O)c1cn[nH]n1 ZINC001507212696 893996594 /nfs/dbraw/zinc/99/65/94/893996594.db2.gz XEXFXFDKTWVTOL-VIFPVBQESA-N 1 2 280.288 -1.018 20 0 CAADLO Cc1oncc1C[NH2+][C@H](CO)CNC(=O)c1cnn[nH]1 ZINC001507212696 893996618 /nfs/dbraw/zinc/99/66/18/893996618.db2.gz XEXFXFDKTWVTOL-VIFPVBQESA-N 1 2 280.288 -1.018 20 0 CAADLO Cn1ncnc1C[NH2+][C@H](CO)CNC(=O)c1csnn1 ZINC001507222122 894000988 /nfs/dbraw/zinc/00/09/88/894000988.db2.gz KLILVKMMCQVIGS-ZETCQYMHSA-N 1 2 297.344 -1.453 20 0 CAADLO Cn1ncc(C[NH2+][C@H](CO)CNC(=O)c2csnn2)n1 ZINC001507222060 894002225 /nfs/dbraw/zinc/00/22/25/894002225.db2.gz JEDREDBFPKZTKF-QMMMGPOBSA-N 1 2 297.344 -1.453 20 0 CAADLO Cc1nonc1C[NH2+][C@@H](CO)CNC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001507225657 894007610 /nfs/dbraw/zinc/00/76/10/894007610.db2.gz NYIGUNYTRZXHJI-SVDPJWKOSA-N 1 2 296.327 -1.163 20 0 CAADLO Cn1cnnc1C[NH2+][C@H](CO)CNC(=O)C1(C(N)=O)CC1 ZINC001507228850 894007798 /nfs/dbraw/zinc/00/77/98/894007798.db2.gz HRHIGASEUUEFBK-QMMMGPOBSA-N 1 2 296.331 -2.353 20 0 CAADLO CNC(=O)[C@H](C)[NH2+][C@H](CO)CNC(=O)C1=NC(=O)N(C)C1 ZINC001507235184 894008648 /nfs/dbraw/zinc/00/86/48/894008648.db2.gz MISMJUOXZOFFKW-YUMQZZPRSA-N 1 2 299.331 -2.060 20 0 CAADLO Cn1cc(C[NH2+][C@@H](CO)CNC(=O)c2n[nH]cc2F)nn1 ZINC001507234889 894009396 /nfs/dbraw/zinc/00/93/96/894009396.db2.gz GTOGGIXFPMCTCU-MRVPVSSYSA-N 1 2 297.294 -1.442 20 0 CAADLO Cn1cc(C[NH2+][C@H](CO)CNC(=O)C2(C(N)=O)CC2)nn1 ZINC001507229312 894010321 /nfs/dbraw/zinc/01/03/21/894010321.db2.gz MDFWOWDGKNYDFG-VIFPVBQESA-N 1 2 296.331 -2.353 20 0 CAADLO Cn1cc(C[NH2+][C@@H](CO)CNC(=O)[C@H]2C[C@H]2C(N)=O)nn1 ZINC001507233205 894010609 /nfs/dbraw/zinc/01/06/09/894010609.db2.gz QTJQCBYJLHMBTB-BBBLOLIVSA-N 1 2 296.331 -2.497 20 0 CAADLO CCC1(C(=O)NC[C@@H](CO)[NH2+]Cc2nnnn2C)CC1 ZINC001507235154 894011921 /nfs/dbraw/zinc/01/19/21/894011921.db2.gz LUPCAGAVXYHNTO-VIFPVBQESA-N 1 2 282.348 -1.033 20 0 CAADLO Cc1cnc(C[NH2+][C@@H](CO)CNC(=O)C(N)=O)cn1 ZINC001507231017 894012101 /nfs/dbraw/zinc/01/21/01/894012101.db2.gz FLZLATHWYPREDL-SECBINFHSA-N 1 2 267.289 -2.163 20 0 CAADLO CC(C)n1ccc(C[NH2+][C@@H](CO)CNC(=O)C(N)=O)n1 ZINC001507230736 894012531 /nfs/dbraw/zinc/01/25/31/894012531.db2.gz CSJMVPARTFUOHO-SNVBAGLBSA-N 1 2 283.332 -1.484 20 0 CAADLO Cn1nnnc1C[NH2+][C@@H](CO)CNC(=O)c1ncccn1 ZINC001507242054 894015423 /nfs/dbraw/zinc/01/54/23/894015423.db2.gz DQKIKEBZXUJTHR-MRVPVSSYSA-N 1 2 292.303 -2.119 20 0 CAADLO Cc1noc(CN[C@@H](CO)CNC(=O)Cc2c[nH]c[nH+]2)n1 ZINC001507238492 894016648 /nfs/dbraw/zinc/01/66/48/894016648.db2.gz IYGAXVDMAAGRAC-SNVBAGLBSA-N 1 2 294.315 -1.089 20 0 CAADLO CCn1cc(C[NH2+][C@H](CO)CNC(=O)c2cnon2)nn1 ZINC001507238415 894016908 /nfs/dbraw/zinc/01/69/08/894016908.db2.gz JEAMVLNLVNYFOZ-VIFPVBQESA-N 1 2 295.303 -1.439 20 0 CAADLO Cc1nnc(C[NH2+][C@H](CO)CNC(=O)c2n[nH]cc2F)[nH]1 ZINC001507235684 894016990 /nfs/dbraw/zinc/01/69/90/894016990.db2.gz XWYYKGYXRIPZOC-ZETCQYMHSA-N 1 2 297.294 -1.144 20 0 CAADLO O=C(CCc1cnn[nH]1)NC[C@H](CO)[NH2+][C@H]1CCNC1=O ZINC001507237495 894017075 /nfs/dbraw/zinc/01/70/75/894017075.db2.gz FZEDHWDGJZMWDD-ZJUUUORDSA-N 1 2 296.331 -2.308 20 0 CAADLO O=C(CCc1cnn[nH]1)NC[C@@H](CO)[NH2+][C@@H]1CCNC1=O ZINC001507237494 894019004 /nfs/dbraw/zinc/01/90/04/894019004.db2.gz FZEDHWDGJZMWDD-VHSXEESVSA-N 1 2 296.331 -2.308 20 0 CAADLO O=C(CCc1cnn[nH]1)NC[C@H](CO)[NH2+][C@@H]1CCNC1=O ZINC001507237491 894019212 /nfs/dbraw/zinc/01/92/12/894019212.db2.gz FZEDHWDGJZMWDD-NXEZZACHSA-N 1 2 296.331 -2.308 20 0 CAADLO Cc1nnc(C[NH2+][C@@H](CO)CNC(=O)c2n[nH]cc2F)[nH]1 ZINC001507235683 894019322 /nfs/dbraw/zinc/01/93/22/894019322.db2.gz XWYYKGYXRIPZOC-SSDOTTSWSA-N 1 2 297.294 -1.144 20 0 CAADLO Cc1nnc(C[NH2+][C@@H](CO)CNC(=O)c2cnn(C)n2)[nH]1 ZINC001507245447 894020566 /nfs/dbraw/zinc/02/05/66/894020566.db2.gz VAPPDCLOABGWIE-MRVPVSSYSA-N 1 2 294.319 -1.878 20 0 CAADLO Cc1nnc(C[NH2+][C@H](CO)CNC(=O)c2cnn(C)n2)[nH]1 ZINC001507245448 894021885 /nfs/dbraw/zinc/02/18/85/894021885.db2.gz VAPPDCLOABGWIE-QMMMGPOBSA-N 1 2 294.319 -1.878 20 0 CAADLO Cn1ccc(C(=O)NC[C@H](CO)[NH2+]Cc2nnnn2C)n1 ZINC001507261638 894032469 /nfs/dbraw/zinc/03/24/69/894032469.db2.gz SVKJFIMRVFMIJA-MRVPVSSYSA-N 1 2 294.319 -2.176 20 0 CAADLO Cc1nc[nH]c1C(=O)NC[C@@H](CO)[NH2+]Cc1nncn1C ZINC001507276337 894034322 /nfs/dbraw/zinc/03/43/22/894034322.db2.gz UDGRSJWYOBFKHD-VIFPVBQESA-N 1 2 293.331 -1.273 20 0 CAADLO CN(C[C@H](O)C[NH2+]Cc1nnc(C2CC2)o1)C(=O)C(N)=O ZINC001507502733 894061489 /nfs/dbraw/zinc/06/14/89/894061489.db2.gz NNYUHGJPYCWKMG-MRVPVSSYSA-N 1 2 297.315 -1.659 20 0 CAADLO CN(C[C@@H](O)C[N@H+](C)CC(N)=O)C(=O)c1ccn[nH]1 ZINC001507588994 894067723 /nfs/dbraw/zinc/06/77/23/894067723.db2.gz WGJYCAKHUHQUBX-QMMMGPOBSA-N 1 2 269.305 -1.740 20 0 CAADLO CN(C[C@@H](O)C[N@@H+](C)CC(N)=O)C(=O)c1ccn[nH]1 ZINC001507588994 894067739 /nfs/dbraw/zinc/06/77/39/894067739.db2.gz WGJYCAKHUHQUBX-QMMMGPOBSA-N 1 2 269.305 -1.740 20 0 CAADLO CCNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)Cc1ncn[nH]1 ZINC001507528275 894068187 /nfs/dbraw/zinc/06/81/87/894068187.db2.gz GSJZSHBDUDIWAA-SECBINFHSA-N 1 2 298.347 -2.108 20 0 CAADLO COCC[N@H+](CCNC(=O)c1cnc(C)[nH]1)CC(N)=O ZINC001508043793 894077849 /nfs/dbraw/zinc/07/78/49/894077849.db2.gz RKVMNFPJHDZLRV-UHFFFAOYSA-N 1 2 283.332 -1.118 20 0 CAADLO COCC[N@@H+](CCNC(=O)c1cnc(C)[nH]1)CC(N)=O ZINC001508043793 894077855 /nfs/dbraw/zinc/07/78/55/894077855.db2.gz RKVMNFPJHDZLRV-UHFFFAOYSA-N 1 2 283.332 -1.118 20 0 CAADLO CNC(=O)C[N@H+](C)CCN(C(=O)C(N)=O)C(C)C ZINC001507831251 894078909 /nfs/dbraw/zinc/07/89/09/894078909.db2.gz HLJMEQADYMVFEE-UHFFFAOYSA-N 1 2 258.322 -1.614 20 0 CAADLO CNC(=O)C[N@@H+](C)CCN(C(=O)C(N)=O)C(C)C ZINC001507831251 894078926 /nfs/dbraw/zinc/07/89/26/894078926.db2.gz HLJMEQADYMVFEE-UHFFFAOYSA-N 1 2 258.322 -1.614 20 0 CAADLO COCC[N@H+](CCNC(=O)c1cc(C)nn1C)CC(N)=O ZINC001508045473 894079240 /nfs/dbraw/zinc/07/92/40/894079240.db2.gz BSOYWIXYMSZVQO-UHFFFAOYSA-N 1 2 297.359 -1.108 20 0 CAADLO COCC[N@@H+](CCNC(=O)c1cc(C)nn1C)CC(N)=O ZINC001508045473 894079264 /nfs/dbraw/zinc/07/92/64/894079264.db2.gz BSOYWIXYMSZVQO-UHFFFAOYSA-N 1 2 297.359 -1.108 20 0 CAADLO COCC[N@H+](C)C[C@H](O)CN(C)C(=O)Cc1ncn[nH]1 ZINC001507720576 894079469 /nfs/dbraw/zinc/07/94/69/894079469.db2.gz YGYCXKIHVAHSIZ-JTQLQIEISA-N 1 2 285.348 -1.255 20 0 CAADLO COCC[N@@H+](C)C[C@H](O)CN(C)C(=O)Cc1ncn[nH]1 ZINC001507720576 894079487 /nfs/dbraw/zinc/07/94/87/894079487.db2.gz YGYCXKIHVAHSIZ-JTQLQIEISA-N 1 2 285.348 -1.255 20 0 CAADLO COCC[N@H+](CCNC(=O)c1cnon1)CC(N)=O ZINC001508053828 894080805 /nfs/dbraw/zinc/08/08/05/894080805.db2.gz PLIXVOSVJIXFNK-UHFFFAOYSA-N 1 2 271.277 -1.767 20 0 CAADLO COCC[N@@H+](CCNC(=O)c1cnon1)CC(N)=O ZINC001508053828 894080819 /nfs/dbraw/zinc/08/08/19/894080819.db2.gz PLIXVOSVJIXFNK-UHFFFAOYSA-N 1 2 271.277 -1.767 20 0 CAADLO COCC[N@H+](CCNC(=O)c1cc[nH]c(=O)c1)CC(N)=O ZINC001508046315 894081608 /nfs/dbraw/zinc/08/16/08/894081608.db2.gz RFDNAJMQSAZHDF-UHFFFAOYSA-N 1 2 296.327 -1.049 20 0 CAADLO COCC[N@@H+](CCNC(=O)c1cc[nH]c(=O)c1)CC(N)=O ZINC001508046315 894081622 /nfs/dbraw/zinc/08/16/22/894081622.db2.gz RFDNAJMQSAZHDF-UHFFFAOYSA-N 1 2 296.327 -1.049 20 0 CAADLO COCC[N@H+](CCNC(=O)C1=COCCO1)CC(N)=O ZINC001508044892 894082804 /nfs/dbraw/zinc/08/28/04/894082804.db2.gz PBGZPABDPPNJRZ-UHFFFAOYSA-N 1 2 287.316 -1.576 20 0 CAADLO COCC[N@@H+](CCNC(=O)C1=COCCO1)CC(N)=O ZINC001508044892 894082819 /nfs/dbraw/zinc/08/28/19/894082819.db2.gz PBGZPABDPPNJRZ-UHFFFAOYSA-N 1 2 287.316 -1.576 20 0 CAADLO C[C@@H](NC(=O)CC(N)=O)[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001508517798 894088784 /nfs/dbraw/zinc/08/87/84/894088784.db2.gz WRKPYBBRUXOATF-BDAKNGLRSA-N 1 2 281.316 -1.232 20 0 CAADLO NC(=O)C(=O)NCC1CC(NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001508422068 894089627 /nfs/dbraw/zinc/08/96/27/894089627.db2.gz ZTCWMBTZTWWCIO-UHFFFAOYSA-N 1 2 279.300 -1.552 20 0 CAADLO C[C@@H](NC(=O)Cc1c[nH+]cn1C)[C@@H](C)NC(=O)C(N)=O ZINC001508589081 894090029 /nfs/dbraw/zinc/09/00/29/894090029.db2.gz AFWSDTHMFUEDSE-HTQZYQBOSA-N 1 2 281.316 -1.543 20 0 CAADLO C[C@H](CNC(=O)Cn1cc[nH+]c1)N(C)C(=O)CC(N)=O ZINC001508931641 894092192 /nfs/dbraw/zinc/09/21/92/894092192.db2.gz KPUSYSFTQGFRKO-SECBINFHSA-N 1 2 281.316 -1.278 20 0 CAADLO C[C@H](CNC(=O)C(N)=O)N(C)C(=O)Cn1cc[nH+]c1 ZINC001509056902 894095342 /nfs/dbraw/zinc/09/53/42/894095342.db2.gz RWFGOKMSZHCDSB-MRVPVSSYSA-N 1 2 267.289 -1.669 20 0 CAADLO C[C@H](CNC(=O)C(N)=O)N(C)C(=O)CCc1c[nH+]cn1C ZINC001509053362 894097846 /nfs/dbraw/zinc/09/78/46/894097846.db2.gz FDZQJWYHCAPTBG-SECBINFHSA-N 1 2 295.343 -1.199 20 0 CAADLO NC(=O)C(=O)NC[C@H]1C[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001509942519 894104828 /nfs/dbraw/zinc/10/48/28/894104828.db2.gz OUDIAHQGQUJYMA-ZKCHVHJHSA-N 1 2 279.300 -1.552 20 0 CAADLO COCC(=O)NC[C@H](CO)NC(=O)Cc1c[nH+]cn1C ZINC001510823746 894120779 /nfs/dbraw/zinc/12/07/79/894120779.db2.gz VSJOPOAKJINODH-SECBINFHSA-N 1 2 284.316 -1.798 20 0 CAADLO O=C(Cc1c[nH]c[nH+]1)N[C@@H](CO)CNC(=O)c1cocn1 ZINC001510875007 894128728 /nfs/dbraw/zinc/12/87/28/894128728.db2.gz YJANIQHZGONQSO-SECBINFHSA-N 1 2 293.283 -1.153 20 0 CAADLO NC(=O)C(=O)N[C@@H](CO)CNC(=O)Cn1cc[nH+]c1 ZINC001510996399 894140937 /nfs/dbraw/zinc/14/09/37/894140937.db2.gz GUHZVGJJKGITQB-SSDOTTSWSA-N 1 2 269.261 -3.038 20 0 CAADLO O=C(Cc1[nH]cc[nH+]1)NC[C@@H](CO)NC(=O)[C@@H]1CCOC1 ZINC001511080444 894147054 /nfs/dbraw/zinc/14/70/54/894147054.db2.gz MCJMIVXSARLYNJ-ZJUUUORDSA-N 1 2 296.327 -1.418 20 0 CAADLO CCO[C@H](C)C(=O)N[C@@H](CO)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001511133264 894153049 /nfs/dbraw/zinc/15/30/49/894153049.db2.gz NRGMASPMDUZZGR-MWLCHTKSSA-N 1 2 298.343 -1.030 20 0 CAADLO CO[C@H](C)C(=O)NC[C@@H](O)CN(C)C(=O)Cn1cc[nH+]c1 ZINC001511564961 894159845 /nfs/dbraw/zinc/15/98/45/894159845.db2.gz RTJUMTGBVBAASP-GHMZBOCLSA-N 1 2 298.343 -1.147 20 0 CAADLO CO[C@@H](C)C(=O)NC[C@H](O)CN(C)C(=O)Cn1cc[nH+]c1 ZINC001511564966 894161094 /nfs/dbraw/zinc/16/10/94/894161094.db2.gz RTJUMTGBVBAASP-QWRGUYRKSA-N 1 2 298.343 -1.147 20 0 CAADLO CO[C@H](C)C(=O)NC[C@H](O)CN(C)C(=O)Cn1cc[nH+]c1 ZINC001511564962 894161165 /nfs/dbraw/zinc/16/11/65/894161165.db2.gz RTJUMTGBVBAASP-MNOVXSKESA-N 1 2 298.343 -1.147 20 0 CAADLO COCCN(CCNC(=O)C(N)=O)C(=O)Cn1cc[nH+]c1 ZINC001511867532 894165827 /nfs/dbraw/zinc/16/58/27/894165827.db2.gz PBDVQPXCYCTWDE-UHFFFAOYSA-N 1 2 297.315 -2.040 20 0 CAADLO CCOCC(=O)NC[C@H](O)CN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001511631573 894165988 /nfs/dbraw/zinc/16/59/88/894165988.db2.gz BVIQNPDBNPPANH-NSHDSACASA-N 1 2 298.343 -1.076 20 0 CAADLO CN(C(=O)CC(N)=O)C1CC(NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001511928774 894166239 /nfs/dbraw/zinc/16/62/39/894166239.db2.gz WLRAZMPVDSFXSI-UHFFFAOYSA-N 1 2 293.327 -1.067 20 0 CAADLO NC(=O)C(=O)N1C[C@@H](O)[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001513015473 894173238 /nfs/dbraw/zinc/17/32/38/894173238.db2.gz YUBMCRCWNQYERT-RKDXNWHRSA-N 1 2 295.299 -2.554 20 0 CAADLO CCOCC(=O)N1C[C@@H](O)[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001513042648 894174864 /nfs/dbraw/zinc/17/48/64/894174864.db2.gz VPHZFNCTDTVEEF-NXEZZACHSA-N 1 2 296.327 -1.323 20 0 CAADLO O=C(Cn1ncnn1)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC001520219790 894194490 /nfs/dbraw/zinc/19/44/90/894194490.db2.gz DGGHXGPCSVYHRZ-AOOOYVTPSA-N 1 2 266.305 -1.348 20 0 CAADLO O=C(Cn1ncnn1)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC001520219790 894194500 /nfs/dbraw/zinc/19/45/00/894194500.db2.gz DGGHXGPCSVYHRZ-AOOOYVTPSA-N 1 2 266.305 -1.348 20 0 CAADLO C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)NCc1nn[nH]n1 ZINC001520982012 894197759 /nfs/dbraw/zinc/19/77/59/894197759.db2.gz ONMCHIBEVVSZLK-SFYZADRCSA-N 1 2 251.294 -1.796 20 0 CAADLO C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)NCc1nn[nH]n1 ZINC001520982012 894197765 /nfs/dbraw/zinc/19/77/65/894197765.db2.gz ONMCHIBEVVSZLK-SFYZADRCSA-N 1 2 251.294 -1.796 20 0 CAADLO C[C@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NN1CCCNC1=O ZINC001521308073 894202024 /nfs/dbraw/zinc/20/20/24/894202024.db2.gz HQPHIKGMOQKRRB-VHSXEESVSA-N 1 2 267.333 -1.179 20 0 CAADLO C[C@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NN1CCCNC1=O ZINC001521308073 894202038 /nfs/dbraw/zinc/20/20/38/894202038.db2.gz HQPHIKGMOQKRRB-VHSXEESVSA-N 1 2 267.333 -1.179 20 0 CAADLO O=C(Cn1cc[nH+]c1)NCCNC(=O)Cn1ncnn1 ZINC001522668484 894244018 /nfs/dbraw/zinc/24/40/18/894244018.db2.gz XXRBZLRDRPGJKG-UHFFFAOYSA-N 1 2 278.276 -2.198 20 0 CAADLO O=C(Cn1cc[nH+]c1)NCCNC(=O)[C@H]1CCCNC1=O ZINC001522701931 894246254 /nfs/dbraw/zinc/24/62/54/894246254.db2.gz IIZBAXIDDSWDBI-JTQLQIEISA-N 1 2 293.327 -1.358 20 0 CAADLO CN1CC[C@H](C(=O)NCCNC(=O)Cn2cc[nH+]c2)C1=O ZINC001522735087 894247469 /nfs/dbraw/zinc/24/74/69/894247469.db2.gz MQHSMOQVIFXYRO-SNVBAGLBSA-N 1 2 293.327 -1.406 20 0 CAADLO CN1CC[C@@H](C(=O)NCCNC(=O)Cn2cc[nH+]c2)C1=O ZINC001522735084 894247952 /nfs/dbraw/zinc/24/79/52/894247952.db2.gz MQHSMOQVIFXYRO-JTQLQIEISA-N 1 2 293.327 -1.406 20 0 CAADLO Cn1c[nH+]cc1CC(=O)NCCNC(=O)C(C)(C)C(N)=O ZINC001522697433 894248339 /nfs/dbraw/zinc/24/83/39/894248339.db2.gz FKNKQISOZOCIAT-UHFFFAOYSA-N 1 2 295.343 -1.294 20 0 CAADLO O=C(Cn1cc[nH+]c1)NCCCNC(=O)Cn1cnnn1 ZINC001522832000 894254529 /nfs/dbraw/zinc/25/45/29/894254529.db2.gz PFJFGVCYPRSTLH-UHFFFAOYSA-N 1 2 292.303 -1.808 20 0 CAADLO COc1cc[nH+]cc1CC(=O)NCCCNC(=O)C(N)=O ZINC001522951831 894258938 /nfs/dbraw/zinc/25/89/38/894258938.db2.gz CSIYSBBVIRNMOO-UHFFFAOYSA-N 1 2 294.311 -1.260 20 0 CAADLO NC(=O)C1(C(=O)NCCCNC(=O)Cn2cc[nH+]c2)CC1 ZINC001522950859 894259415 /nfs/dbraw/zinc/25/94/15/894259415.db2.gz DXSLKJKVVBSSGZ-UHFFFAOYSA-N 1 2 293.327 -1.229 20 0 CAADLO Cn1nnc(C(=O)NCCCNC(=O)Cc2c[nH]c[nH+]2)n1 ZINC001522983992 894262370 /nfs/dbraw/zinc/26/23/70/894262370.db2.gz RYCLXULOJDQXMD-UHFFFAOYSA-N 1 2 292.303 -1.588 20 0 CAADLO NC(=O)CC(=O)N[C@H]1C[C@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001524951895 894285216 /nfs/dbraw/zinc/28/52/16/894285216.db2.gz XJNLTXLXZZJPDS-MGCOHNPYSA-N 1 2 293.327 -1.019 20 0 CAADLO NC(=O)CC(=O)N[C@H]1C[C@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001524951895 894285235 /nfs/dbraw/zinc/28/52/35/894285235.db2.gz XJNLTXLXZZJPDS-MGCOHNPYSA-N 1 2 293.327 -1.019 20 0 CAADLO CC(=O)NCC(=O)NC[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001526349007 894296784 /nfs/dbraw/zinc/29/67/84/894296784.db2.gz ZBTRSXZFZGIVJH-VIFPVBQESA-N 1 2 281.316 -1.360 20 0 CAADLO CC(=O)NCC(=O)NC[C@@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001526349006 894297122 /nfs/dbraw/zinc/29/71/22/894297122.db2.gz ZBTRSXZFZGIVJH-SECBINFHSA-N 1 2 281.316 -1.360 20 0 CAADLO C[C@H](CNC(=O)CC(N)=O)NC(=O)CCc1[nH+]ccn1C ZINC001526459829 894298527 /nfs/dbraw/zinc/29/85/27/894298527.db2.gz APEGXEFLGPGOGW-SECBINFHSA-N 1 2 295.343 -1.151 20 0 CAADLO C[C@H](CNC(=O)[C@@H]1CCNC1=O)NC(=O)Cn1cc[nH+]c1 ZINC001526854779 894302009 /nfs/dbraw/zinc/30/20/09/894302009.db2.gz VWEFPJMEDSRBFY-NXEZZACHSA-N 1 2 293.327 -1.360 20 0 CAADLO C[C@H](CNC(=O)[C@H]1CCNC1=O)NC(=O)Cn1cc[nH+]c1 ZINC001526854783 894302173 /nfs/dbraw/zinc/30/21/73/894302173.db2.gz VWEFPJMEDSRBFY-ZJUUUORDSA-N 1 2 293.327 -1.360 20 0 CAADLO C[C@H](CNC(=O)C(N)=O)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001526939404 894307271 /nfs/dbraw/zinc/30/72/71/894307271.db2.gz FRIBCNRPIDSNIW-BWZBUEFSSA-N 1 2 279.300 -1.381 20 0 CAADLO C[C@H](CNC(=O)C(N)=O)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001526939404 894307287 /nfs/dbraw/zinc/30/72/87/894307287.db2.gz FRIBCNRPIDSNIW-BWZBUEFSSA-N 1 2 279.300 -1.381 20 0 CAADLO CN(CCNC(=O)CC(N)=O)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001528001550 894321081 /nfs/dbraw/zinc/32/10/81/894321081.db2.gz BOBBGVXYRGTWER-RKDXNWHRSA-N 1 2 293.327 -1.037 20 0 CAADLO CN(CCNC(=O)CC(N)=O)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001528001550 894321094 /nfs/dbraw/zinc/32/10/94/894321094.db2.gz BOBBGVXYRGTWER-RKDXNWHRSA-N 1 2 293.327 -1.037 20 0 CAADLO CN(CCNC(=O)c1ncn(C)n1)C(=O)Cc1[nH]cc[nH+]1 ZINC001528095304 894322816 /nfs/dbraw/zinc/32/28/16/894322816.db2.gz CJNNBOOJEOQJNN-UHFFFAOYSA-N 1 2 291.315 -1.031 20 0 CAADLO C[C@@H](CC(=O)NCCN(C)C(=O)C(N)=O)n1cc[nH+]c1 ZINC001528148836 894323060 /nfs/dbraw/zinc/32/30/60/894323060.db2.gz PEGLDHZFVCPRAU-VIFPVBQESA-N 1 2 281.316 -1.106 20 0 CAADLO CN(CCNC(=O)Cn1ncnn1)C(=O)Cc1c[nH+]c[nH]1 ZINC001528191897 894323690 /nfs/dbraw/zinc/32/36/90/894323690.db2.gz SUUOZAKBSGQKBN-UHFFFAOYSA-N 1 2 292.303 -1.787 20 0 CAADLO CN(CCNC(=O)Cn1cc[nH+]c1)C(=O)[C@H]1CCC(=O)N1 ZINC001528349779 894326777 /nfs/dbraw/zinc/32/67/77/894326777.db2.gz HTHBYWCGSHORLZ-SNVBAGLBSA-N 1 2 293.327 -1.264 20 0 CAADLO CN(CCNC(=O)Cn1cc[nH+]c1)C(=O)[C@@H]1COC(=O)N1 ZINC001528349812 894328194 /nfs/dbraw/zinc/32/81/94/894328194.db2.gz ISNGTCYXSUQHMZ-VIFPVBQESA-N 1 2 295.299 -1.434 20 0 CAADLO CN(CCNC(=O)c1nnc[nH]1)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001528520777 894330662 /nfs/dbraw/zinc/33/06/62/894330662.db2.gz XWBKUWCQIQLDHR-SECBINFHSA-N 1 2 296.331 -1.677 20 0 CAADLO CN(CCNC(=O)c1nnc[nH]1)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001528520777 894330679 /nfs/dbraw/zinc/33/06/79/894330679.db2.gz XWBKUWCQIQLDHR-SECBINFHSA-N 1 2 296.331 -1.677 20 0 CAADLO CN(CCNC(=O)Cc1[nH]cc[nH+]1)C(=O)c1ncn(C)n1 ZINC001528566464 894331475 /nfs/dbraw/zinc/33/14/75/894331475.db2.gz KXMYNKLEXFTILL-UHFFFAOYSA-N 1 2 291.315 -1.031 20 0 CAADLO CCN(CCNC(=O)Cn1cc[nH+]c1)C(=O)C(N)=O ZINC001528931177 894339545 /nfs/dbraw/zinc/33/95/45/894339545.db2.gz QMPHHLMJYMSGHL-UHFFFAOYSA-N 1 2 267.289 -1.667 20 0 CAADLO CCN(CCNC(=O)C(N)=O)C(=O)CCc1c[nH]c[nH+]1 ZINC001529069227 894341295 /nfs/dbraw/zinc/34/12/95/894341295.db2.gz GTFNWYCFVNBCDK-UHFFFAOYSA-N 1 2 281.316 -1.208 20 0 CAADLO CCN(CCNC(=O)C(N)=O)C(=O)CCc1c[nH+]c[nH]1 ZINC001529069227 894341306 /nfs/dbraw/zinc/34/13/06/894341306.db2.gz GTFNWYCFVNBCDK-UHFFFAOYSA-N 1 2 281.316 -1.208 20 0 CAADLO NC(=O)C(=O)N1CCC[C@@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001529365294 894345967 /nfs/dbraw/zinc/34/59/67/894345967.db2.gz LXDMEKLSIQGDFJ-SNVBAGLBSA-N 1 2 293.327 -1.134 20 0 CAADLO NC(=O)C(=O)NC[C@@H]1CCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC001529406590 894346001 /nfs/dbraw/zinc/34/60/01/894346001.db2.gz CTAPCJQGYIWUOG-VIFPVBQESA-N 1 2 293.327 -1.065 20 0 CAADLO NC(=O)C(=O)N1CCC[C@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001529365293 894347717 /nfs/dbraw/zinc/34/77/17/894347717.db2.gz LXDMEKLSIQGDFJ-JTQLQIEISA-N 1 2 293.327 -1.134 20 0 CAADLO NC(=O)C(=O)NC[C@H]1CCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC001529406587 894348003 /nfs/dbraw/zinc/34/80/03/894348003.db2.gz CTAPCJQGYIWUOG-SECBINFHSA-N 1 2 293.327 -1.065 20 0 CAADLO NC(=O)C(=O)N(CCNC(=O)Cn1cc[nH+]c1)C1CC1 ZINC001529793790 894348456 /nfs/dbraw/zinc/34/84/56/894348456.db2.gz DXBWDMCQWRTAIV-UHFFFAOYSA-N 1 2 279.300 -1.524 20 0 CAADLO CC(=O)N1CC[NH+](CCN(C)C(=O)[C@H]2C[C@H]2C(N)=O)CC1 ZINC001530113254 894351153 /nfs/dbraw/zinc/35/11/53/894351153.db2.gz QEAFRIUXASMHDQ-NEPJUHHUSA-N 1 2 296.371 -1.270 20 0 CAADLO Cc1[nH+]c[nH]c1CC(=O)NCCN(C(=O)C(N)=O)C1CC1 ZINC001529823355 894351340 /nfs/dbraw/zinc/35/13/40/894351340.db2.gz XUDYVEJKRNGJFZ-UHFFFAOYSA-N 1 2 293.327 -1.147 20 0 CAADLO C[C@H](NC(N)=O)C(=O)N1CC(NC(=O)Cn2cc[nH+]c2)C1 ZINC001530518462 894364339 /nfs/dbraw/zinc/36/43/39/894364339.db2.gz XGHPOXURLQKPET-QMMMGPOBSA-N 1 2 294.315 -1.733 20 0 CAADLO C[C@@H](CC(N)=O)C(=O)NC1CN(C(=O)Cn2cc[nH+]c2)C1 ZINC001530571777 894364464 /nfs/dbraw/zinc/36/44/64/894364464.db2.gz CWAMFAJFUCGWJV-VIFPVBQESA-N 1 2 293.327 -1.278 20 0 CAADLO COC[C@H](OC)C(=O)NC1CN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001530636018 894366064 /nfs/dbraw/zinc/36/60/64/894366064.db2.gz OZPCYZZVFIUECC-JTQLQIEISA-N 1 2 296.327 -1.059 20 0 CAADLO CC(=O)N[C@H](C)C(=O)N1CC(NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001530671432 894366295 /nfs/dbraw/zinc/36/62/95/894366295.db2.gz SJPRHDLDGBTBOH-MRVPVSSYSA-N 1 2 293.327 -1.196 20 0 CAADLO Cc1[nH+]c[nH]c1CC(=O)NCC1CN(C(=O)CC(N)=O)C1 ZINC001530846436 894369591 /nfs/dbraw/zinc/36/95/91/894369591.db2.gz WTVGIKRHJYAZKZ-UHFFFAOYSA-N 1 2 293.327 -1.289 20 0 CAADLO NC(=O)CC(=O)NCC1CN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001530721304 894371067 /nfs/dbraw/zinc/37/10/67/894371067.db2.gz CPCSHOHKWIFEBT-UHFFFAOYSA-N 1 2 293.327 -1.208 20 0 CAADLO NC(=O)CC(=O)NCC1CN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001530721304 894371080 /nfs/dbraw/zinc/37/10/80/894371080.db2.gz CPCSHOHKWIFEBT-UHFFFAOYSA-N 1 2 293.327 -1.208 20 0 CAADLO Cn1cc[nH+]c1CCC(=O)NCC1CN(C(=O)C(N)=O)C1 ZINC001530855797 894373457 /nfs/dbraw/zinc/37/34/57/894373457.db2.gz BQXRDEODQVZBIT-UHFFFAOYSA-N 1 2 293.327 -1.587 20 0 CAADLO NC(=O)C(=O)NC1(CNC(=O)Cc2c[nH]c[nH+]2)CCCC1 ZINC001531628927 894381384 /nfs/dbraw/zinc/38/13/84/894381384.db2.gz CCSUSQAOCIRMIO-UHFFFAOYSA-N 1 2 293.327 -1.017 20 0 CAADLO C[C@H](CNC(=O)CC(N)=O)CNC(=O)Cc1c[nH+]cn1C ZINC001532158504 894384741 /nfs/dbraw/zinc/38/47/41/894384741.db2.gz DWFKNDDAYUKYSU-VIFPVBQESA-N 1 2 295.343 -1.294 20 0 CAADLO Cn1c[nH+]cc1CNC(=O)Cn1cnc(C(N)=O)n1 ZINC001532594662 894386860 /nfs/dbraw/zinc/38/68/60/894386860.db2.gz ZXHOSTPDCWMWNN-UHFFFAOYSA-N 1 2 263.261 -1.573 20 0 CAADLO CCC(=O)NC[C@H](O)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001533136954 894392559 /nfs/dbraw/zinc/39/25/59/894392559.db2.gz ABOYEBLPUKZVKA-VIFPVBQESA-N 1 2 254.290 -1.045 20 0 CAADLO O=C(Cc1[nH]cc[nH+]1)NC[C@@H](O)CNC(=O)C1CC1 ZINC001533139777 894394901 /nfs/dbraw/zinc/39/49/01/894394901.db2.gz FKDARMIZDRVTLS-SECBINFHSA-N 1 2 266.301 -1.045 20 0 CAADLO COCCC(=O)NC[C@H](O)CNC(=O)Cn1cc[nH+]c1 ZINC001533140156 894395509 /nfs/dbraw/zinc/39/55/09/894395509.db2.gz JCAIVESDBMXCNX-JTQLQIEISA-N 1 2 284.316 -1.487 20 0 CAADLO O=C(Cc1[nH]cc[nH+]1)NC[C@H](O)CNC(=O)C1CC1 ZINC001533139779 894395561 /nfs/dbraw/zinc/39/55/61/894395561.db2.gz FKDARMIZDRVTLS-VIFPVBQESA-N 1 2 266.301 -1.045 20 0 CAADLO O=C(Cc1c[nH]c[nH+]1)NC[C@H](O)CNC(=O)c1cocn1 ZINC001533206141 894404598 /nfs/dbraw/zinc/40/45/98/894404598.db2.gz BTZDVENOBIDUGT-VIFPVBQESA-N 1 2 293.283 -1.153 20 0 CAADLO NC(=O)CC(=O)NC[C@H](O)CNC(=O)CCn1cc[nH+]c1 ZINC001533215793 894408485 /nfs/dbraw/zinc/40/84/85/894408485.db2.gz UVTBUIZTDYHPNN-SECBINFHSA-N 1 2 297.315 -2.258 20 0 CAADLO NC(=O)C(=O)NC/C=C/CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001533551862 894416393 /nfs/dbraw/zinc/41/63/93/894416393.db2.gz WPHDNLYPZWRMOF-NPIHWTNLSA-N 1 2 291.311 -1.213 20 0 CAADLO NC(=O)C(=O)NC/C=C/CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001533551862 894416400 /nfs/dbraw/zinc/41/64/00/894416400.db2.gz WPHDNLYPZWRMOF-NPIHWTNLSA-N 1 2 291.311 -1.213 20 0 CAADLO C[C@H](CNC(=O)C(N)=O)NC(=O)Cn1cc[nH+]c1 ZINC001533795891 894418598 /nfs/dbraw/zinc/41/85/98/894418598.db2.gz QZVMHMQOUOEDBH-SSDOTTSWSA-N 1 2 253.262 -2.011 20 0 CAADLO C[C@H](CNC(=O)CC(N)=O)NC(=O)Cc1c[nH+]cn1C ZINC001533829786 894418834 /nfs/dbraw/zinc/41/88/34/894418834.db2.gz FBUGDRQVFPNHAN-MRVPVSSYSA-N 1 2 281.316 -1.541 20 0 CAADLO Cc1[nH+]c[nH]c1CC(=O)NC[C@@H](C)NC(=O)C(N)=O ZINC001533896726 894419840 /nfs/dbraw/zinc/41/98/40/894419840.db2.gz JMHZSUGJNVWNGA-ZCFIWIBFSA-N 1 2 267.289 -1.633 20 0 CAADLO C[C@H](CNC(=O)CC(=O)N(C)C)NC(=O)Cn1cc[nH+]c1 ZINC001533796437 894420191 /nfs/dbraw/zinc/42/01/91/894420191.db2.gz GJJDDXDRBZDLGX-SNVBAGLBSA-N 1 2 295.343 -1.018 20 0 CAADLO C[C@H](CNC(=O)Cn1cc[nH+]c1)NC(=O)CC(N)=O ZINC001533673144 894420452 /nfs/dbraw/zinc/42/04/52/894420452.db2.gz XZPAGMJFLIBVJD-MRVPVSSYSA-N 1 2 267.289 -1.621 20 0 CAADLO C[C@H](CNC(=O)CNC(N)=O)NC(=O)CCn1cc[nH+]c1 ZINC001533837011 894420513 /nfs/dbraw/zinc/42/05/13/894420513.db2.gz ZTFJZZAYRYOVJP-SECBINFHSA-N 1 2 296.331 -1.438 20 0 CAADLO C[C@H](CC(=O)N[C@@H](C)CNC(=O)C(N)=O)n1cc[nH+]c1 ZINC001534133418 894422717 /nfs/dbraw/zinc/42/27/17/894422717.db2.gz CSEWYJUWEAOYTA-DTWKUNHWSA-N 1 2 281.316 -1.060 20 0 CAADLO CNC(=O)CC(=O)NC[C@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001534465479 894424839 /nfs/dbraw/zinc/42/48/39/894424839.db2.gz AELWWZOSFZOWCC-QMMMGPOBSA-N 1 2 281.316 -1.291 20 0 CAADLO Cn1cc[nH+]c1CCC(=O)NC[C@@H]1CCN1C(=O)C(N)=O ZINC001534959936 894432488 /nfs/dbraw/zinc/43/24/88/894432488.db2.gz JEKQNQZZOAINID-VIFPVBQESA-N 1 2 293.327 -1.445 20 0 CAADLO Cn1c[nH+]cc1CC(=O)NCC1(NC(=O)CC(N)=O)CC1 ZINC001535636349 894437677 /nfs/dbraw/zinc/43/76/77/894437677.db2.gz VONPKTVXJNMTJF-UHFFFAOYSA-N 1 2 293.327 -1.397 20 0 CAADLO CN(C(=O)CC(N)=O)C1CN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001536323537 894441746 /nfs/dbraw/zinc/44/17/46/894441746.db2.gz JPHJOYBLIAIBBS-UHFFFAOYSA-N 1 2 293.327 -1.113 20 0 CAADLO CN(C(=O)CC(N)=O)C1CN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001536323537 894441750 /nfs/dbraw/zinc/44/17/50/894441750.db2.gz JPHJOYBLIAIBBS-UHFFFAOYSA-N 1 2 293.327 -1.113 20 0 CAADLO C[C@@]1(CNC(=O)Cc2[nH]cc[nH+]2)CCN(C(=O)C(N)=O)C1 ZINC001537073964 894443817 /nfs/dbraw/zinc/44/38/17/894443817.db2.gz VKZZGCNAHKUBMV-ZDUSSCGKSA-N 1 2 293.327 -1.208 20 0 CAADLO NC(=O)N[C@H](CO)C(=O)NCCCn1cc[nH+]c1 ZINC001538656283 894451795 /nfs/dbraw/zinc/45/17/95/894451795.db2.gz NQECOYLSFJXKTC-MRVPVSSYSA-N 1 2 255.278 -1.581 20 0 CAADLO NC(=O)C(NC(=O)[C@H]1CCc2c[nH+]cn2C1)C(N)=O ZINC001540569701 894455995 /nfs/dbraw/zinc/45/59/95/894455995.db2.gz ZZDBQSBNYICVAJ-LURJTMIESA-N 1 2 265.273 -2.099 20 0 CAADLO NC(=O)C(NC(=O)[C@@H]1CCc2c[nH+]cn2C1)C(N)=O ZINC001540569702 894456117 /nfs/dbraw/zinc/45/61/17/894456117.db2.gz ZZDBQSBNYICVAJ-ZCFIWIBFSA-N 1 2 265.273 -2.099 20 0 CAADLO Nc1ccnn1CC(=O)N1CC[NH+](CCO)CC1 ZINC001540772530 894459087 /nfs/dbraw/zinc/45/90/87/894459087.db2.gz ABTMONVFXLGPDX-UHFFFAOYSA-N 1 2 253.306 -1.398 20 0 CAADLO O=C(c1ns[nH]c1=O)N1CC[NH+](CCO)CC1 ZINC001540691456 894459392 /nfs/dbraw/zinc/45/93/92/894459392.db2.gz PZRMSIPGUUKWLJ-UHFFFAOYSA-N 1 2 258.303 -1.419 20 0 CAADLO NC(=O)c1ncn(CC(=O)NCCn2cc[nH+]c2)n1 ZINC001540771904 894459405 /nfs/dbraw/zinc/45/94/05/894459405.db2.gz COYVZEDJIKSQPO-UHFFFAOYSA-N 1 2 263.261 -1.610 20 0 CAADLO CN1CCO[C@H](C(=O)N[C@@H]2CCC[N@H+](CC(N)=O)C2)C1=O ZINC001542978650 894467351 /nfs/dbraw/zinc/46/73/51/894467351.db2.gz USQPMUHWNBPVFA-MWLCHTKSSA-N 1 2 298.343 -2.091 20 0 CAADLO CN1CCO[C@H](C(=O)N[C@@H]2CCC[N@@H+](CC(N)=O)C2)C1=O ZINC001542978650 894467359 /nfs/dbraw/zinc/46/73/59/894467359.db2.gz USQPMUHWNBPVFA-MWLCHTKSSA-N 1 2 298.343 -2.091 20 0 CAADLO CN1CCO[C@H](C(=O)N[C@H]2CCC[N@H+](CC(N)=O)C2)C1=O ZINC001542978648 894467726 /nfs/dbraw/zinc/46/77/26/894467726.db2.gz USQPMUHWNBPVFA-GXSJLCMTSA-N 1 2 298.343 -2.091 20 0 CAADLO CN1CCO[C@H](C(=O)N[C@H]2CCC[N@@H+](CC(N)=O)C2)C1=O ZINC001542978648 894467734 /nfs/dbraw/zinc/46/77/34/894467734.db2.gz USQPMUHWNBPVFA-GXSJLCMTSA-N 1 2 298.343 -2.091 20 0 CAADLO NC(=O)NC(=O)CCNC(=O)/C=C\C[NH+]1CCOCC1 ZINC001545218679 894476481 /nfs/dbraw/zinc/47/64/81/894476481.db2.gz CNNHWPUWPATISY-UPHRSURJSA-N 1 2 284.316 -1.424 20 0 CAADLO C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)NCc1n[nH]c(=O)[nH]1 ZINC001545329235 894477900 /nfs/dbraw/zinc/47/79/00/894477900.db2.gz ATBURFHDXGSAQZ-LHLIQPBNSA-N 1 2 255.278 -1.418 20 0 CAADLO C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)NCc1n[nH]c(=O)[nH]1 ZINC001545329235 894477915 /nfs/dbraw/zinc/47/79/15/894477915.db2.gz ATBURFHDXGSAQZ-LHLIQPBNSA-N 1 2 255.278 -1.418 20 0 CAADLO Cn1cc[nH+]c1CCC(=O)NCCOCC(N)=O ZINC001545556310 894479188 /nfs/dbraw/zinc/47/91/88/894479188.db2.gz DVOBMUXDCIYYQY-UHFFFAOYSA-N 1 2 254.290 -1.029 20 0 CAADLO C/C=C/[C@@H](O)C(=O)N1CCO[C@H](C[N@H+](C)CC(N)=O)C1 ZINC001548437447 894487410 /nfs/dbraw/zinc/48/74/10/894487410.db2.gz PFRJTSWDCBVYKR-YIZUVKHSSA-N 1 2 285.344 -1.432 20 0 CAADLO C/C=C/[C@@H](O)C(=O)N1CCO[C@H](C[N@@H+](C)CC(N)=O)C1 ZINC001548437447 894487417 /nfs/dbraw/zinc/48/74/17/894487417.db2.gz PFRJTSWDCBVYKR-YIZUVKHSSA-N 1 2 285.344 -1.432 20 0 CAADLO C[C@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N1CCS(=O)CC1 ZINC001548642180 894488580 /nfs/dbraw/zinc/48/85/80/894488580.db2.gz VJSPMXQASXJGTA-WDEREUQCSA-N 1 2 271.386 -1.034 20 0 CAADLO C[C@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N1CCS(=O)CC1 ZINC001548642180 894488585 /nfs/dbraw/zinc/48/85/85/894488585.db2.gz VJSPMXQASXJGTA-WDEREUQCSA-N 1 2 271.386 -1.034 20 0 CAADLO O=C(NCC[N@@H+]1CCC2(C1)OCCO2)N1CCNC(=O)C1 ZINC001548656369 894494951 /nfs/dbraw/zinc/49/49/51/894494951.db2.gz HVUYPXPDYZSOLX-UHFFFAOYSA-N 1 2 298.343 -1.423 20 0 CAADLO O=C(NCC[N@H+]1CCC2(C1)OCCO2)N1CCNC(=O)C1 ZINC001548656369 894494957 /nfs/dbraw/zinc/49/49/57/894494957.db2.gz HVUYPXPDYZSOLX-UHFFFAOYSA-N 1 2 298.343 -1.423 20 0 CAADLO C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N1CC[C@H](c2nn[nH]n2)C1 ZINC001548762397 894503648 /nfs/dbraw/zinc/50/36/48/894503648.db2.gz OZPCJZDOAULEQC-VWYCJHECSA-N 1 2 291.359 -1.096 20 0 CAADLO C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)N1CC[C@H](c2nn[nH]n2)C1 ZINC001548762397 894503663 /nfs/dbraw/zinc/50/36/63/894503663.db2.gz OZPCJZDOAULEQC-VWYCJHECSA-N 1 2 291.359 -1.096 20 0 CAADLO COCCN1C(=O)N[C@@H]2C[N@H+]([C@H]3CC(=O)NC3=O)CC[C@H]21 ZINC001549134362 894510649 /nfs/dbraw/zinc/51/06/49/894510649.db2.gz PHUXIGRGAVEJNL-BBBLOLIVSA-N 1 2 296.327 -1.484 20 0 CAADLO COCCN1C(=O)N[C@@H]2C[N@@H+]([C@H]3CC(=O)NC3=O)CC[C@H]21 ZINC001549134362 894510661 /nfs/dbraw/zinc/51/06/61/894510661.db2.gz PHUXIGRGAVEJNL-BBBLOLIVSA-N 1 2 296.327 -1.484 20 0 CAADLO NC(=O)[C@H]1CC[C@H](C(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)O1 ZINC001549620242 894517310 /nfs/dbraw/zinc/51/73/10/894517310.db2.gz IDMZMEIVOPBXQW-WRWGMCAJSA-N 1 2 297.355 -1.001 20 0 CAADLO NC(=O)[C@H]1CC[C@H](C(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)O1 ZINC001549620242 894517319 /nfs/dbraw/zinc/51/73/19/894517319.db2.gz IDMZMEIVOPBXQW-WRWGMCAJSA-N 1 2 297.355 -1.001 20 0 CAADLO NC(=O)[C@H]1CC[C@@H](C(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)O1 ZINC001549620240 894517691 /nfs/dbraw/zinc/51/76/91/894517691.db2.gz IDMZMEIVOPBXQW-KXNHARMFSA-N 1 2 297.355 -1.001 20 0 CAADLO NC(=O)[C@H]1CC[C@@H](C(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)O1 ZINC001549620240 894517698 /nfs/dbraw/zinc/51/76/98/894517698.db2.gz IDMZMEIVOPBXQW-KXNHARMFSA-N 1 2 297.355 -1.001 20 0 CAADLO Cn1cc(O[C@H]2C[N@H+](CC(=O)NC(N)=O)C[C@H]2O)cn1 ZINC001549596348 894518556 /nfs/dbraw/zinc/51/85/56/894518556.db2.gz ISZCZSMSYSBPAL-BDAKNGLRSA-N 1 2 283.288 -1.961 20 0 CAADLO Cn1cc(O[C@H]2C[N@@H+](CC(=O)NC(N)=O)C[C@H]2O)cn1 ZINC001549596348 894518570 /nfs/dbraw/zinc/51/85/70/894518570.db2.gz ISZCZSMSYSBPAL-BDAKNGLRSA-N 1 2 283.288 -1.961 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1C[C@H](O)[C@@H](Oc2cnn(C)c2)C1 ZINC001549594629 894519082 /nfs/dbraw/zinc/51/90/82/894519082.db2.gz AVSJOURUCAEADI-JEZHCXPESA-N 1 2 254.290 -1.282 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1C[C@H](O)[C@@H](Oc2cnn(C)c2)C1 ZINC001549594629 894519091 /nfs/dbraw/zinc/51/90/91/894519091.db2.gz AVSJOURUCAEADI-JEZHCXPESA-N 1 2 254.290 -1.282 20 0 CAADLO CNC(=O)C[N@@H+]1C[C@@H](O)[C@@H](Oc2cnn(C)c2)C1 ZINC001549595898 894519372 /nfs/dbraw/zinc/51/93/72/894519372.db2.gz HEWSIHHERVLUGA-ZJUUUORDSA-N 1 2 254.290 -1.410 20 0 CAADLO CNC(=O)C[N@H+]1C[C@@H](O)[C@@H](Oc2cnn(C)c2)C1 ZINC001549595898 894519379 /nfs/dbraw/zinc/51/93/79/894519379.db2.gz HEWSIHHERVLUGA-ZJUUUORDSA-N 1 2 254.290 -1.410 20 0 CAADLO O=C([C@H]1CNC(=O)C1)N1CCO[C@@H](C[NH+]2CCOCC2)C1 ZINC001549865475 894521401 /nfs/dbraw/zinc/52/14/01/894521401.db2.gz OTTCSBNEDKSREI-NEPJUHHUSA-N 1 2 297.355 -1.318 20 0 CAADLO C[NH+](C)[C@@H]1CN(C(=O)Cc2ncn[nH]2)C[C@H]1n1ccnn1 ZINC001549845116 894521878 /nfs/dbraw/zinc/52/18/78/894521878.db2.gz BRLBMXVFPQSUHC-NXEZZACHSA-N 1 2 290.331 -1.048 20 0 CAADLO CN1C[C@@H](C(=O)N2CC[C@@H]([NH+]3CCN(C)CC3)C2)NC1=O ZINC001550005194 894525532 /nfs/dbraw/zinc/52/55/32/894525532.db2.gz SACXERAVXYIANQ-NEPJUHHUSA-N 1 2 295.387 -1.142 20 0 CAADLO CN1C(=O)NC[C@@H]1C(=O)N1CC[C@H]([NH+]2CCN(C)CC2)C1 ZINC001550006133 894526186 /nfs/dbraw/zinc/52/61/86/894526186.db2.gz UZXYXHQTDXCKET-NWDGAFQWSA-N 1 2 295.387 -1.142 20 0 CAADLO CN1C(=O)NC[C@@H]1C(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC001549930048 894526580 /nfs/dbraw/zinc/52/65/80/894526580.db2.gz BBPJTHCWBGGFRR-OUAUKWLOSA-N 1 2 282.344 -1.011 20 0 CAADLO CN1C(=O)NC[C@@H]1C(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC001549930048 894526591 /nfs/dbraw/zinc/52/65/91/894526591.db2.gz BBPJTHCWBGGFRR-OUAUKWLOSA-N 1 2 282.344 -1.011 20 0 CAADLO CN1C[C@H](C(=O)N2CC[C@H]([NH+]3CCN(C)CC3)C2)NC1=O ZINC001550005197 894526698 /nfs/dbraw/zinc/52/66/98/894526698.db2.gz SACXERAVXYIANQ-NWDGAFQWSA-N 1 2 295.387 -1.142 20 0 CAADLO O=C(Cc1ncn[nH]1)N1CC[C@H]2OCC[NH2+][C@@H]2C1 ZINC001550061305 894526899 /nfs/dbraw/zinc/52/68/99/894526899.db2.gz YTJNSQCKUSCEMH-RKDXNWHRSA-N 1 2 251.290 -1.064 20 0 CAADLO CN1C(=O)NC[C@H]1C(=O)N1CC[C@H]([NH+]2CCN(C)CC2)C1 ZINC001550006136 894527044 /nfs/dbraw/zinc/52/70/44/894527044.db2.gz UZXYXHQTDXCKET-RYUDHWBXSA-N 1 2 295.387 -1.142 20 0 CAADLO CN1C(=O)NC[C@H]1C(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)C1 ZINC001550006131 894527668 /nfs/dbraw/zinc/52/76/68/894527668.db2.gz UZXYXHQTDXCKET-NEPJUHHUSA-N 1 2 295.387 -1.142 20 0 CAADLO CNC(=O)[C@@]12C[N@H+](Cn3ncn(C)c3=O)C[C@H]1COCC2 ZINC001551406275 894536039 /nfs/dbraw/zinc/53/60/39/894536039.db2.gz CBLSDZMHPYKGDJ-GWCFXTLKSA-N 1 2 295.343 -1.376 20 0 CAADLO CNC(=O)[C@@]12C[N@@H+](Cn3ncn(C)c3=O)C[C@H]1COCC2 ZINC001551406275 894536052 /nfs/dbraw/zinc/53/60/52/894536052.db2.gz CBLSDZMHPYKGDJ-GWCFXTLKSA-N 1 2 295.343 -1.376 20 0 CAADLO Cn1cnn(CC(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)c1=O ZINC001550811822 894536166 /nfs/dbraw/zinc/53/61/66/894536166.db2.gz NXFOMWPESHIREW-PHIMTYICSA-N 1 2 295.343 -1.439 20 0 CAADLO Cn1cnn(CC(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)c1=O ZINC001550811822 894536179 /nfs/dbraw/zinc/53/61/79/894536179.db2.gz NXFOMWPESHIREW-PHIMTYICSA-N 1 2 295.343 -1.439 20 0 CAADLO NC(=O)[C@@H]1C[C@H]1C(=O)N1CCO[C@H](C[NH+]2CCOCC2)C1 ZINC001550412180 894537814 /nfs/dbraw/zinc/53/78/14/894537814.db2.gz CUUYSEGEBZHOCC-IJLUTSLNSA-N 1 2 297.355 -1.333 20 0 CAADLO CNC(=O)[C@]12C[N@H+](Cc3nnn(C)n3)C[C@@H]1COCC2 ZINC001551418271 894541067 /nfs/dbraw/zinc/54/10/67/894541067.db2.gz DPMDZGRRHYFHFD-BXKDBHETSA-N 1 2 280.332 -1.205 20 0 CAADLO CNC(=O)[C@]12C[N@@H+](Cc3nnn(C)n3)C[C@@H]1COCC2 ZINC001551418271 894541078 /nfs/dbraw/zinc/54/10/78/894541078.db2.gz DPMDZGRRHYFHFD-BXKDBHETSA-N 1 2 280.332 -1.205 20 0 CAADLO CNC(=O)[C@@]12C[N@H+](Cc3nnn(C)n3)C[C@H]1COCC2 ZINC001551418278 894541693 /nfs/dbraw/zinc/54/16/93/894541693.db2.gz DPMDZGRRHYFHFD-CABZTGNLSA-N 1 2 280.332 -1.205 20 0 CAADLO CNC(=O)[C@@]12C[N@@H+](Cc3nnn(C)n3)C[C@H]1COCC2 ZINC001551418278 894541707 /nfs/dbraw/zinc/54/17/07/894541707.db2.gz DPMDZGRRHYFHFD-CABZTGNLSA-N 1 2 280.332 -1.205 20 0 CAADLO CNC(=O)[C@]12C[N@H+](Cc3nnn(C)n3)C[C@H]1COCC2 ZINC001551418282 894541998 /nfs/dbraw/zinc/54/19/98/894541998.db2.gz DPMDZGRRHYFHFD-JOYOIKCWSA-N 1 2 280.332 -1.205 20 0 CAADLO CNC(=O)[C@]12C[N@@H+](Cc3nnn(C)n3)C[C@H]1COCC2 ZINC001551418282 894542009 /nfs/dbraw/zinc/54/20/09/894542009.db2.gz DPMDZGRRHYFHFD-JOYOIKCWSA-N 1 2 280.332 -1.205 20 0 CAADLO CN1CC[C@@]2(C(=O)Nc3nn[nH]n3)C[NH2+]C[C@H]2C1 ZINC001553365957 894559025 /nfs/dbraw/zinc/55/90/25/894559025.db2.gz NUGDAYSGSFOPOR-OIBJUYFYSA-N 1 2 251.294 -1.321 20 0 CAADLO C[C@H](NC(=O)[C@H]1CC[C@@H](C[NH+]2CCOCC2)O1)C(N)=O ZINC001553092202 894559983 /nfs/dbraw/zinc/55/99/83/894559983.db2.gz HDIAVELZUCDOSM-GARJFASQSA-N 1 2 285.344 -1.144 20 0 CAADLO NC(=O)CCNC(=O)[C@H]1CC[C@@H](C[NH+]2CCOCC2)O1 ZINC001553114730 894560014 /nfs/dbraw/zinc/56/00/14/894560014.db2.gz PDHVKAKVWLXQRQ-WDEREUQCSA-N 1 2 285.344 -1.142 20 0 CAADLO O=C([C@@H]1CC[C@@H](C[NH+]2CCOCC2)O1)N1CCNC(=O)C1 ZINC001553054488 894560333 /nfs/dbraw/zinc/56/03/33/894560333.db2.gz FMZWVJRPTGKGHS-RYUDHWBXSA-N 1 2 297.355 -1.175 20 0 CAADLO CN(CC(N)=O)C(=O)[C@@H]1CC[C@@H](C[NH+]2CCOCC2)O1 ZINC001553067805 894560533 /nfs/dbraw/zinc/56/05/33/894560533.db2.gz DSMQPGVIMPVVMB-QWRGUYRKSA-N 1 2 285.344 -1.190 20 0 CAADLO CN1CC[C@@]2(C(=O)Nc3nn[nH]n3)C[NH2+]C[C@@H]2C1 ZINC001553365956 894560603 /nfs/dbraw/zinc/56/06/03/894560603.db2.gz NUGDAYSGSFOPOR-GMSGAONNSA-N 1 2 251.294 -1.321 20 0 CAADLO CN(CC(N)=O)C(=O)[C@H]1CC[C@@H](C[NH+]2CCOCC2)O1 ZINC001553067806 894560843 /nfs/dbraw/zinc/56/08/43/894560843.db2.gz DSMQPGVIMPVVMB-WDEREUQCSA-N 1 2 285.344 -1.190 20 0 CAADLO NC(=O)CCNC(=O)[C@@H]1CC[C@@H](C[NH+]2CCOCC2)O1 ZINC001553114723 894562357 /nfs/dbraw/zinc/56/23/57/894562357.db2.gz PDHVKAKVWLXQRQ-QWRGUYRKSA-N 1 2 285.344 -1.142 20 0 CAADLO O=C([C@H]1CC[C@@H](C[NH+]2CCOCC2)O1)N1CNC(=O)C1 ZINC001553642149 894568616 /nfs/dbraw/zinc/56/86/16/894568616.db2.gz KHVDGPJJYTVFRK-WDEREUQCSA-N 1 2 283.328 -1.218 20 0 CAADLO O=C([C@@H]1CC[C@@H](C[NH+]2CCOCC2)O1)N1CNC(=O)C1 ZINC001553642148 894568822 /nfs/dbraw/zinc/56/88/22/894568822.db2.gz KHVDGPJJYTVFRK-QWRGUYRKSA-N 1 2 283.328 -1.218 20 0 CAADLO Cc1cn(C(C)(C)C(=O)N[C@@H](CO)C(N)=O)c[nH+]1 ZINC001556564718 894580676 /nfs/dbraw/zinc/58/06/76/894580676.db2.gz WZGIJLVAMGZLHR-QMMMGPOBSA-N 1 2 254.290 -1.111 20 0 CAADLO NS(=O)(=O)CCOCCNC(=O)Cc1c[nH]c[nH+]1 ZINC001556521726 894580775 /nfs/dbraw/zinc/58/07/75/894580775.db2.gz JQIINRJOXJYWFS-UHFFFAOYSA-N 1 2 276.318 -1.627 20 0 CAADLO Cn1c[nH+]c(CCNC(=O)[C@H](CO)NC(N)=O)c1 ZINC001556945794 894589189 /nfs/dbraw/zinc/58/91/89/894589189.db2.gz VDRYHVIMEPHJTA-QMMMGPOBSA-N 1 2 255.278 -1.892 20 0 CAADLO Cn1c[nH+]c(CCNC(=O)[C@@H](CO)NC(N)=O)c1 ZINC001556945793 894589268 /nfs/dbraw/zinc/58/92/68/894589268.db2.gz VDRYHVIMEPHJTA-MRVPVSSYSA-N 1 2 255.278 -1.892 20 0 CAADLO C[C@H]1C[N@H+](CCO)CCN1C(=O)c1cnn(C)n1 ZINC001557001864 894592151 /nfs/dbraw/zinc/59/21/51/894592151.db2.gz NZESLZBJPJRMEY-VIFPVBQESA-N 1 2 253.306 -1.046 20 0 CAADLO C[C@H]1C[N@@H+](CCO)CCN1C(=O)c1cnn(C)n1 ZINC001557001864 894592157 /nfs/dbraw/zinc/59/21/57/894592157.db2.gz NZESLZBJPJRMEY-VIFPVBQESA-N 1 2 253.306 -1.046 20 0 CAADLO C[C@@H]1C[N@H+](CCO)CCN1C(=O)c1ncn(C)n1 ZINC001557002005 894592425 /nfs/dbraw/zinc/59/24/25/894592425.db2.gz TWWIIGGQPNIKRC-SECBINFHSA-N 1 2 253.306 -1.046 20 0 CAADLO C[C@@H]1C[N@@H+](CCO)CCN1C(=O)c1ncn(C)n1 ZINC001557002005 894592426 /nfs/dbraw/zinc/59/24/26/894592426.db2.gz TWWIIGGQPNIKRC-SECBINFHSA-N 1 2 253.306 -1.046 20 0 CAADLO NC(=O)N[C@@H](CO)C(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC001557151516 894595478 /nfs/dbraw/zinc/59/54/78/894595478.db2.gz QZDSJEGNNCSJKI-CBAPKCEASA-N 1 2 267.289 -1.657 20 0 CAADLO CNC(=O)NCC(=O)N[C@@H](CO)c1c[nH+]cn1C ZINC001557694782 894604678 /nfs/dbraw/zinc/60/46/78/894604678.db2.gz NEZGVURDPJFXMF-ZETCQYMHSA-N 1 2 255.278 -1.501 20 0 CAADLO CNC(=O)NCC(=O)N[C@H](CO)c1c[nH+]cn1C ZINC001557694778 894604744 /nfs/dbraw/zinc/60/47/44/894604744.db2.gz NEZGVURDPJFXMF-SSDOTTSWSA-N 1 2 255.278 -1.501 20 0 CAADLO O=C(CN1C(=O)CNC1=O)N[C@@H]1CCn2c[nH+]cc21 ZINC001557690292 894604952 /nfs/dbraw/zinc/60/49/52/894604952.db2.gz ZSZQJQZVSKLDHD-SSDOTTSWSA-N 1 2 263.257 -1.004 20 0 CAADLO O=C(Cn1cnnn1)N1CC[NH2+][C@H](c2cn[nH]c2)C1 ZINC001557832339 894610410 /nfs/dbraw/zinc/61/04/10/894610410.db2.gz QMDLPLKKZNTHBS-VIFPVBQESA-N 1 2 262.277 -1.431 20 0 CAADLO NC(=O)NCCC(=O)N[C@H](CO)Cc1c[nH]c[nH+]1 ZINC001558028573 894613836 /nfs/dbraw/zinc/61/38/36/894613836.db2.gz ZYSUAUPPHAFIBJ-QMMMGPOBSA-N 1 2 255.278 -1.512 20 0 CAADLO NC(=O)NCCC(=O)N[C@H](CO)Cc1c[nH+]c[nH]1 ZINC001558028573 894613845 /nfs/dbraw/zinc/61/38/45/894613845.db2.gz ZYSUAUPPHAFIBJ-QMMMGPOBSA-N 1 2 255.278 -1.512 20 0 CAADLO COC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H]1CCNC1=O ZINC001558553013 894621347 /nfs/dbraw/zinc/62/13/47/894621347.db2.gz FYIADIDDLVGMCX-DTWKUNHWSA-N 1 2 280.284 -1.254 20 0 CAADLO COC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H]1CCNC1=O ZINC001558553013 894621354 /nfs/dbraw/zinc/62/13/54/894621354.db2.gz FYIADIDDLVGMCX-DTWKUNHWSA-N 1 2 280.284 -1.254 20 0 CAADLO COC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H]1CCNC1=O ZINC001558553017 894622337 /nfs/dbraw/zinc/62/23/37/894622337.db2.gz FYIADIDDLVGMCX-RKDXNWHRSA-N 1 2 280.284 -1.254 20 0 CAADLO COC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H]1CCNC1=O ZINC001558553017 894622343 /nfs/dbraw/zinc/62/23/43/894622343.db2.gz FYIADIDDLVGMCX-RKDXNWHRSA-N 1 2 280.284 -1.254 20 0 CAADLO C[NH+]1CCN(C(=O)CC[N@@H+]2CCO[C@H](C(=O)[O-])C2)CC1 ZINC001610950594 970801465 /nfs/dbraw/zinc/80/14/65/970801465.db2.gz HHNXVGRCCUKRTF-NSHDSACASA-N 1 2 285.344 -1.064 20 0 CAADLO C[NH+]1CCN(C(=O)CC[N@H+]2CCO[C@H](C(=O)[O-])C2)CC1 ZINC001610950594 970801470 /nfs/dbraw/zinc/80/14/70/970801470.db2.gz HHNXVGRCCUKRTF-NSHDSACASA-N 1 2 285.344 -1.064 20 0 CAADLO O=C([O-])CS(=O)(=O)CC[NH2+]CCn1cc[nH+]c1 ZINC000310182287 950697516 /nfs/dbraw/zinc/69/75/16/950697516.db2.gz NZGBNYHPRXOBTQ-UHFFFAOYSA-N 1 2 261.303 -1.028 20 0 CAADLO C[NH+]1CCN(C(=O)CN2CC[NH+](CC(=O)[O-])CC2)CC1 ZINC000035680825 957220899 /nfs/dbraw/zinc/22/08/99/957220899.db2.gz ZKXABPCDSQNMOJ-UHFFFAOYSA-N 1 2 284.360 -1.537 20 0 CAADLO COCC[N@H+](C)C[C@H](O)C[NH+]1C[C@@H](O)C[C@H](C(=O)[O-])C1 ZINC000401914523 973528312 /nfs/dbraw/zinc/52/83/12/973528312.db2.gz ZPYYGVCHXXHTDE-SRVKXCTJSA-N 1 2 290.360 -1.307 20 0 CAADLO COCC[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H](O)C[C@H](C(=O)[O-])C1 ZINC000401914523 973528319 /nfs/dbraw/zinc/52/83/19/973528319.db2.gz ZPYYGVCHXXHTDE-SRVKXCTJSA-N 1 2 290.360 -1.307 20 0 CAADLO COCC[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H](O)C[C@H](C(=O)[O-])C1 ZINC000401914523 973528328 /nfs/dbraw/zinc/52/83/28/973528328.db2.gz ZPYYGVCHXXHTDE-SRVKXCTJSA-N 1 2 290.360 -1.307 20 0 CAADLO COCC[NH+](C)C[C@H](O)C[N@H+]1C[C@@H](O)C[C@H](C(=O)[O-])C1 ZINC000401914523 973528332 /nfs/dbraw/zinc/52/83/32/973528332.db2.gz ZPYYGVCHXXHTDE-SRVKXCTJSA-N 1 2 290.360 -1.307 20 0 CAADLO COCC[N@H+](C)C[C@H](O)C[NH+]1C[C@H](O)C[C@@H](C(=O)[O-])C1 ZINC000401914526 973528870 /nfs/dbraw/zinc/52/88/70/973528870.db2.gz ZPYYGVCHXXHTDE-UTUOFQBUSA-N 1 2 290.360 -1.307 20 0 CAADLO COCC[N@@H+](C)C[C@H](O)C[NH+]1C[C@H](O)C[C@@H](C(=O)[O-])C1 ZINC000401914526 973528880 /nfs/dbraw/zinc/52/88/80/973528880.db2.gz ZPYYGVCHXXHTDE-UTUOFQBUSA-N 1 2 290.360 -1.307 20 0 CAADLO COCC[NH+](C)C[C@H](O)C[N@@H+]1C[C@H](O)C[C@@H](C(=O)[O-])C1 ZINC000401914526 973528891 /nfs/dbraw/zinc/52/88/91/973528891.db2.gz ZPYYGVCHXXHTDE-UTUOFQBUSA-N 1 2 290.360 -1.307 20 0 CAADLO COCC[NH+](C)C[C@H](O)C[N@H+]1C[C@H](O)C[C@@H](C(=O)[O-])C1 ZINC000401914526 973528898 /nfs/dbraw/zinc/52/88/98/973528898.db2.gz ZPYYGVCHXXHTDE-UTUOFQBUSA-N 1 2 290.360 -1.307 20 0 CAADLO COCC[N@H+](C)C[C@H](O)C[NH+]1C[C@H](C(=O)[O-])C[C@H](O)C1 ZINC000401914527 973529337 /nfs/dbraw/zinc/52/93/37/973529337.db2.gz ZPYYGVCHXXHTDE-WOPDTQHZSA-N 1 2 290.360 -1.307 20 0 CAADLO COCC[N@@H+](C)C[C@H](O)C[NH+]1C[C@H](C(=O)[O-])C[C@H](O)C1 ZINC000401914527 973529345 /nfs/dbraw/zinc/52/93/45/973529345.db2.gz ZPYYGVCHXXHTDE-WOPDTQHZSA-N 1 2 290.360 -1.307 20 0 CAADLO COCC[NH+](C)C[C@H](O)C[N@H+]1C[C@H](C(=O)[O-])C[C@H](O)C1 ZINC000401914527 973529352 /nfs/dbraw/zinc/52/93/52/973529352.db2.gz ZPYYGVCHXXHTDE-WOPDTQHZSA-N 1 2 290.360 -1.307 20 0 CAADLO COCC[NH+](C)C[C@H](O)C[N@@H+]1C[C@H](C(=O)[O-])C[C@H](O)C1 ZINC000401914527 973529355 /nfs/dbraw/zinc/52/93/55/973529355.db2.gz ZPYYGVCHXXHTDE-WOPDTQHZSA-N 1 2 290.360 -1.307 20 0 CAADLO COCC[N@H+](C)C[C@H](O)C[NH+]1C[C@H](O)C[C@H](C(=O)[O-])C1 ZINC000401914524 973529433 /nfs/dbraw/zinc/52/94/33/973529433.db2.gz ZPYYGVCHXXHTDE-TUAOUCFPSA-N 1 2 290.360 -1.307 20 0 CAADLO COCC[N@@H+](C)C[C@H](O)C[NH+]1C[C@H](O)C[C@H](C(=O)[O-])C1 ZINC000401914524 973529435 /nfs/dbraw/zinc/52/94/35/973529435.db2.gz ZPYYGVCHXXHTDE-TUAOUCFPSA-N 1 2 290.360 -1.307 20 0 CAADLO COCC[NH+](C)C[C@H](O)C[N@@H+]1C[C@H](O)C[C@H](C(=O)[O-])C1 ZINC000401914524 973529442 /nfs/dbraw/zinc/52/94/42/973529442.db2.gz ZPYYGVCHXXHTDE-TUAOUCFPSA-N 1 2 290.360 -1.307 20 0 CAADLO COCC[NH+](C)C[C@H](O)C[N@H+]1C[C@H](O)C[C@H](C(=O)[O-])C1 ZINC000401914524 973529449 /nfs/dbraw/zinc/52/94/49/973529449.db2.gz ZPYYGVCHXXHTDE-TUAOUCFPSA-N 1 2 290.360 -1.307 20 0 CAADLO COCC[N@H+](C)C[C@@H](O)C[NH2+][C@@]1(C(=O)[O-])CCOC1 ZINC001604584420 973676547 /nfs/dbraw/zinc/67/65/47/973676547.db2.gz QAFVANHRKCHMDY-JQWIXIFHSA-N 1 2 276.333 -1.241 20 0 CAADLO COCC[N@@H+](C)C[C@@H](O)C[NH2+][C@@]1(C(=O)[O-])CCOC1 ZINC001604584420 973676549 /nfs/dbraw/zinc/67/65/49/973676549.db2.gz QAFVANHRKCHMDY-JQWIXIFHSA-N 1 2 276.333 -1.241 20 0 CAADLO O=C([O-])CS(=O)(=O)CC[NH2+][C@@H]1Cc2c[nH+]cn2C1 ZINC001606297509 973705566 /nfs/dbraw/zinc/70/55/66/973705566.db2.gz UYTKHNYBJWOLIA-MRVPVSSYSA-N 1 2 273.314 -1.103 20 0 CAADLO C[NH+](C)CC(=O)N1CC[NH+]([C@]2(C(=O)[O-])CCOC2)CC1 ZINC001598196727 990802387 /nfs/dbraw/zinc/80/23/87/990802387.db2.gz JUYJMEPRTYSSSK-CYBMUJFWSA-N 1 2 285.344 -1.064 20 0 CAADLO C[NH+](C)CCN1CC[N@H+](C[C@@](C)(O)C(=O)[O-])CC1=O ZINC001598230458 990932970 /nfs/dbraw/zinc/93/29/70/990932970.db2.gz BQOPXBZLRXRCES-GFCCVEGCSA-N 1 2 273.333 -1.472 20 0 CAADLO C[NH+](C)CCN1CC[N@@H+](C[C@@](C)(O)C(=O)[O-])CC1=O ZINC001598230458 990932975 /nfs/dbraw/zinc/93/29/75/990932975.db2.gz BQOPXBZLRXRCES-GFCCVEGCSA-N 1 2 273.333 -1.472 20 0 CAADLO C[N@@H+]1CCO[C@@H](C(=O)N2CC[NH+](C)C[C@H](C(=O)[O-])C2)C1 ZINC001598604957 993631657 /nfs/dbraw/zinc/63/16/57/993631657.db2.gz BUMUVSIJVADHOW-WDEREUQCSA-N 1 2 285.344 -1.208 20 0 CAADLO C[N@H+]1CCO[C@@H](C(=O)N2CC[NH+](C)C[C@H](C(=O)[O-])C2)C1 ZINC001598604957 993631659 /nfs/dbraw/zinc/63/16/59/993631659.db2.gz BUMUVSIJVADHOW-WDEREUQCSA-N 1 2 285.344 -1.208 20 0 CAADLO C[NH+]1CCO[C@@H](C(=O)N2CC[N@H+](C)C[C@H](C(=O)[O-])C2)C1 ZINC001598604957 993631662 /nfs/dbraw/zinc/63/16/62/993631662.db2.gz BUMUVSIJVADHOW-WDEREUQCSA-N 1 2 285.344 -1.208 20 0 CAADLO C[NH+]1CCO[C@@H](C(=O)N2CC[N@@H+](C)C[C@H](C(=O)[O-])C2)C1 ZINC001598604957 993631664 /nfs/dbraw/zinc/63/16/64/993631664.db2.gz BUMUVSIJVADHOW-WDEREUQCSA-N 1 2 285.344 -1.208 20 0 CAADLO CNS(=O)(=O)CCC[N@@H+]1CCC[NH2+]C[C@@H]1C(=O)[O-] ZINC001598670887 994755791 /nfs/dbraw/zinc/75/57/91/994755791.db2.gz KMRDTTIZTMATQR-SECBINFHSA-N 1 2 279.362 -1.326 20 0 CAADLO CNS(=O)(=O)CCC[N@H+]1CCC[NH2+]C[C@@H]1C(=O)[O-] ZINC001598670887 994755800 /nfs/dbraw/zinc/75/58/00/994755800.db2.gz KMRDTTIZTMATQR-SECBINFHSA-N 1 2 279.362 -1.326 20 0 CAADLO COCC[NH+]1CCN(C(=O)[C@@H]([NH3+])CCC(=O)[O-])CC1 ZINC001599240037 998022669 /nfs/dbraw/zinc/02/26/69/998022669.db2.gz DULRMJVZKXUBCE-JTQLQIEISA-N 1 2 273.333 -1.031 20 0 CAADLO COC[C@H]([NH3+])C(=O)N1CC[NH+]([C@H](C)CC(=O)[O-])CC1 ZINC001599275808 998607647 /nfs/dbraw/zinc/60/76/47/998607647.db2.gz QCKHNRYKVNOLKL-ZJUUUORDSA-N 1 2 273.333 -1.033 20 0 CAADLO NC(=O)[C@@H]1CCC[N@@H+]1CC(=O)N1CCNC(=O)C1 ZINC000078668252 230161108 /nfs/dbraw/zinc/16/11/08/230161108.db2.gz OJYXJPRYYQVGNG-QMMMGPOBSA-N 1 2 254.290 -2.106 20 0 CAADLO NC(=O)[C@@H]1CCC[N@H+]1CC(=O)N1CCNC(=O)C1 ZINC000078668252 230161110 /nfs/dbraw/zinc/16/11/10/230161110.db2.gz OJYXJPRYYQVGNG-QMMMGPOBSA-N 1 2 254.290 -2.106 20 0 CAADLO Cn1nc(C(=O)NC[C@H]2C[NH+]3CCN2CC3)ccc1=O ZINC000090698344 230163719 /nfs/dbraw/zinc/16/37/19/230163719.db2.gz BKMOUQJGJOBIDM-JTQLQIEISA-N 1 2 277.328 -1.490 20 0 CAADLO NC(=O)NC(=O)C[NH+](CC(=O)NC(N)=O)CC1CC1 ZINC000047614256 230157891 /nfs/dbraw/zinc/15/78/91/230157891.db2.gz HOZVISQVPUNTNV-UHFFFAOYSA-N 1 2 271.277 -1.912 20 0 CAADLO NC(=O)[C@@H]1CCCN(C(=O)CN2CC[NH2+]CC2=O)C1 ZINC000573325648 334927947 /nfs/dbraw/zinc/92/79/47/334927947.db2.gz NIPOWJHRNDXTBN-SECBINFHSA-N 1 2 268.317 -1.858 20 0 CAADLO CCS(=O)(=O)N1CC[NH+](C[C@@H](O)COC)CC1 ZINC000126434105 230176447 /nfs/dbraw/zinc/17/64/47/230176447.db2.gz KSFREYMHEVKJRE-SNVBAGLBSA-N 1 2 266.363 -1.039 20 0 CAADLO Nc1c(C(=O)C[N@@H+]2CC[C@@H](O)C2)c(=O)[nH]c(=O)n1C1CC1 ZINC000152423937 230179940 /nfs/dbraw/zinc/17/99/40/230179940.db2.gz IVWLWDJZHHQXPU-MRVPVSSYSA-N 1 2 294.311 -1.297 20 0 CAADLO O=C1NC[C@@H]2C[N@H+](CCn3cccn3)CCN2C1=O ZINC000152597259 230181297 /nfs/dbraw/zinc/18/12/97/230181297.db2.gz YBGNLXUKBKCUEK-SNVBAGLBSA-N 1 2 263.301 -1.474 20 0 CAADLO O=C1NC[C@@H]2C[N@@H+](CCn3cccn3)CCN2C1=O ZINC000152597259 230181302 /nfs/dbraw/zinc/18/13/02/230181302.db2.gz YBGNLXUKBKCUEK-SNVBAGLBSA-N 1 2 263.301 -1.474 20 0 CAADLO CN(C)C(=O)CN(C)C(=O)CN1CC[NH2+]CC1=O ZINC000150723879 230181734 /nfs/dbraw/zinc/18/17/34/230181734.db2.gz QHHJBNWRXNOPNV-UHFFFAOYSA-N 1 2 256.306 -2.035 20 0 CAADLO C[C@@H]1CO[C@H](CO)C[N@@H+]1CC(=O)N1CCNC1=O ZINC000168601726 230186015 /nfs/dbraw/zinc/18/60/15/230186015.db2.gz WPUSVQMMSDHNJC-BDAKNGLRSA-N 1 2 257.290 -1.380 20 0 CAADLO C[C@@H]1CO[C@H](CO)C[N@H+]1CC(=O)N1CCNC1=O ZINC000168601726 230186018 /nfs/dbraw/zinc/18/60/18/230186018.db2.gz WPUSVQMMSDHNJC-BDAKNGLRSA-N 1 2 257.290 -1.380 20 0 CAADLO COC[C@H]1C[N@H+](Cc2cc(=O)n(C)c(=O)n2C)CCO1 ZINC000172889442 230190172 /nfs/dbraw/zinc/19/01/72/230190172.db2.gz ISRNGFFSBZDDIB-LLVKDONJSA-N 1 2 283.328 -1.069 20 0 CAADLO COCCCNC(=O)C[N@@H+]1CCN2C(=O)NC[C@H]2C1 ZINC000176926539 230191254 /nfs/dbraw/zinc/19/12/54/230191254.db2.gz QWLIUTFPXIQNCO-JTQLQIEISA-N 1 2 270.333 -1.152 20 0 CAADLO COCCCNC(=O)C[N@H+]1CCN2C(=O)NC[C@H]2C1 ZINC000176926539 230191258 /nfs/dbraw/zinc/19/12/58/230191258.db2.gz QWLIUTFPXIQNCO-JTQLQIEISA-N 1 2 270.333 -1.152 20 0 CAADLO CCS(=O)(=O)NCC[N@@H+]1CCN2C(=O)NC[C@H]2C1 ZINC000175925853 230191679 /nfs/dbraw/zinc/19/16/79/230191679.db2.gz MWLOZEFMYCEMDL-VIFPVBQESA-N 1 2 276.362 -1.365 20 0 CAADLO CCS(=O)(=O)NCC[N@H+]1CCN2C(=O)NC[C@H]2C1 ZINC000175925853 230191685 /nfs/dbraw/zinc/19/16/85/230191685.db2.gz MWLOZEFMYCEMDL-VIFPVBQESA-N 1 2 276.362 -1.365 20 0 CAADLO C[C@H]1C(=O)N(C)CC[N@H+]1CCN1C(=O)CNC1=O ZINC000186969871 230204705 /nfs/dbraw/zinc/20/47/05/230204705.db2.gz SONQYKHSLQHUTN-QMMMGPOBSA-N 1 2 254.290 -1.299 20 0 CAADLO C[C@H]1C(=O)N(C)CC[N@@H+]1CCN1C(=O)CNC1=O ZINC000186969871 230204709 /nfs/dbraw/zinc/20/47/09/230204709.db2.gz SONQYKHSLQHUTN-QMMMGPOBSA-N 1 2 254.290 -1.299 20 0 CAADLO C[C@H](C(=O)NC1CC1)[NH+]1CCN(Cc2nnn(C)n2)CC1 ZINC000193229702 230208665 /nfs/dbraw/zinc/20/86/65/230208665.db2.gz POUOPZHURNSVHW-SNVBAGLBSA-N 1 2 293.375 -1.005 20 0 CAADLO CO[C@@H](C)CS(=O)(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000195429380 230210101 /nfs/dbraw/zinc/21/01/01/230210101.db2.gz LZMRUOIPLNHAKW-QWRGUYRKSA-N 1 2 277.390 -1.060 20 0 CAADLO CO[C@@H](C)CS(=O)(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000195429369 230211144 /nfs/dbraw/zinc/21/11/44/230211144.db2.gz LZMRUOIPLNHAKW-WDEREUQCSA-N 1 2 277.390 -1.060 20 0 CAADLO O=C(C[NH+]1C[C@@H](O)[C@H](O)C1)NC(=O)NCc1ccco1 ZINC000236525139 230215605 /nfs/dbraw/zinc/21/56/05/230215605.db2.gz POFGPOIMTLWGJS-NXEZZACHSA-N 1 2 283.284 -1.357 20 0 CAADLO CO[C@H](C)CS(=O)(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000195429384 230211520 /nfs/dbraw/zinc/21/15/20/230211520.db2.gz LZMRUOIPLNHAKW-MNOVXSKESA-N 1 2 277.390 -1.060 20 0 CAADLO COCCC(=O)N1CC[NH+](CCN2C(=O)CNC2=O)CC1 ZINC000331079769 230232719 /nfs/dbraw/zinc/23/27/19/230232719.db2.gz YKCSYIGKWAZFGF-UHFFFAOYSA-N 1 2 298.343 -1.077 20 0 CAADLO O=C(CN1CC[NH2+]CC1=O)N1CC[NH+](CCO)CC1 ZINC000262405285 230228454 /nfs/dbraw/zinc/22/84/54/230228454.db2.gz PXLBRGOPGOJGFO-UHFFFAOYSA-N 1 2 270.333 -2.445 20 0 CAADLO O=C(CN1CCNCC1=O)N1CC[NH+](CCO)CC1 ZINC000262405285 230228457 /nfs/dbraw/zinc/22/84/57/230228457.db2.gz PXLBRGOPGOJGFO-UHFFFAOYSA-N 1 2 270.333 -2.445 20 0 CAADLO COCCN(C[C@H](O)C[NH+]1CCOCC1)[C@@H](C)C(N)=O ZINC000358353256 230245799 /nfs/dbraw/zinc/24/57/99/230245799.db2.gz JTZLYHWGFQKHJA-NWDGAFQWSA-N 1 2 289.376 -1.498 20 0 CAADLO COCCN(C[C@@H](O)C[NH+]1CCOCC1)[C@@H](C)C(N)=O ZINC000358353257 230246000 /nfs/dbraw/zinc/24/60/00/230246000.db2.gz JTZLYHWGFQKHJA-RYUDHWBXSA-N 1 2 289.376 -1.498 20 0 CAADLO COCC[N@H+](CC(=O)NC(=O)NC1CC1)[C@H](C)C(N)=O ZINC000358391257 230244239 /nfs/dbraw/zinc/24/42/39/230244239.db2.gz XZOZTJHTSDRCRG-MRVPVSSYSA-N 1 2 286.332 -1.203 20 0 CAADLO COCC[N@@H+](CC(=O)NC(=O)NC1CC1)[C@H](C)C(N)=O ZINC000358391257 230244245 /nfs/dbraw/zinc/24/42/45/230244245.db2.gz XZOZTJHTSDRCRG-MRVPVSSYSA-N 1 2 286.332 -1.203 20 0 CAADLO COCCN(C[C@@H](O)C[NH+]1CCOCC1)[C@H](C)C(N)=O ZINC000358353255 230244933 /nfs/dbraw/zinc/24/49/33/230244933.db2.gz JTZLYHWGFQKHJA-NEPJUHHUSA-N 1 2 289.376 -1.498 20 0 CAADLO Cn1cnn(CC(=O)NC[C@H]2CC[NH2+]CC2(F)F)c1=O ZINC000424195024 230281876 /nfs/dbraw/zinc/28/18/76/230281876.db2.gz SPQHZTHVGRKADH-MRVPVSSYSA-N 1 2 289.286 -1.057 20 0 CAADLO COCCN1CCCN(C(=O)[C@@H]2COCC[NH2+]2)CC1=O ZINC000424175364 230279054 /nfs/dbraw/zinc/27/90/54/230279054.db2.gz PYGCCOWDSVLEFO-NSHDSACASA-N 1 2 285.344 -1.318 20 0 CAADLO Cn1cc(OCC(=O)N[C@H](CO)C[NH+]2CCOCC2)cn1 ZINC000425298959 230286560 /nfs/dbraw/zinc/28/65/60/230286560.db2.gz XTLNYQIPJKTXCM-NSHDSACASA-N 1 2 298.343 -1.392 20 0 CAADLO CC[C@@H]1C[N@H+](CCNC(=O)CS(=O)(=O)NC)CCO1 ZINC000428071283 529390740 /nfs/dbraw/zinc/39/07/40/529390740.db2.gz FQPJJLWPMGUNDW-SNVBAGLBSA-N 1 2 293.389 -1.237 20 0 CAADLO CC[C@@H]1C[N@@H+](CCNC(=O)CS(=O)(=O)NC)CCO1 ZINC000428071283 529390741 /nfs/dbraw/zinc/39/07/41/529390741.db2.gz FQPJJLWPMGUNDW-SNVBAGLBSA-N 1 2 293.389 -1.237 20 0 CAADLO COCCn1cc(NC(=O)CN2CC[NH2+]CC2=O)cn1 ZINC000429680888 230299491 /nfs/dbraw/zinc/29/94/91/230299491.db2.gz GITLDMZZVHWTCL-UHFFFAOYSA-N 1 2 281.316 -1.100 20 0 CAADLO O[C@@H](CN1CCc2nn[nH]c2C1)C[NH+]1CCOCC1 ZINC000429322746 230299808 /nfs/dbraw/zinc/29/98/08/230299808.db2.gz OJGNHGWNYMHZED-SNVBAGLBSA-N 1 2 267.333 -1.144 20 0 CAADLO C[C@H](NC(=O)CN1CC[NH2+]CC1=O)C(=O)N1CCOCC1 ZINC000429910338 230302760 /nfs/dbraw/zinc/30/27/60/230302760.db2.gz RSBIEFMHOKNNKF-JTQLQIEISA-N 1 2 298.343 -2.218 20 0 CAADLO O=C(CNC(=O)CN1CC[NH2+]CC1=O)NC1CC1 ZINC000429779764 230303100 /nfs/dbraw/zinc/30/31/00/230303100.db2.gz BGPPDKKEVOJWKY-UHFFFAOYSA-N 1 2 254.290 -2.187 20 0 CAADLO O=C(CN1CC[NH2+]CC1=O)NC[C@H]1CCC[C@H]1O ZINC000430276683 230305042 /nfs/dbraw/zinc/30/50/42/230305042.db2.gz COAJDPFRZHEITD-NXEZZACHSA-N 1 2 255.318 -1.305 20 0 CAADLO O=C(CN1CC[NH2+]CC1=O)NC[C@@H]1CCC[C@H]1O ZINC000430276687 230305810 /nfs/dbraw/zinc/30/58/10/230305810.db2.gz COAJDPFRZHEITD-VHSXEESVSA-N 1 2 255.318 -1.305 20 0 CAADLO OC[C@@H]1CCCN1c1cc(N2C[C@@H](O)[C@@H](O)C2)[nH+]cn1 ZINC000433817159 230315938 /nfs/dbraw/zinc/31/59/38/230315938.db2.gz CRYYMYRFTVMXKI-GARJFASQSA-N 1 2 280.328 -1.021 20 0 CAADLO OC[C@@H]1CCCN1c1cc(N2C[C@@H](O)[C@@H](O)C2)nc[nH+]1 ZINC000433817159 230315944 /nfs/dbraw/zinc/31/59/44/230315944.db2.gz CRYYMYRFTVMXKI-GARJFASQSA-N 1 2 280.328 -1.021 20 0 CAADLO C[C@H]1C[N@H+](C)CCN1C(=O)C(=O)NCC(=O)N(C)C ZINC000440276564 230326781 /nfs/dbraw/zinc/32/67/81/230326781.db2.gz NIVSYCMXCWJBAO-VIFPVBQESA-N 1 2 270.333 -1.647 20 0 CAADLO C[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)NCC(=O)N(C)C ZINC000440276564 230326786 /nfs/dbraw/zinc/32/67/86/230326786.db2.gz NIVSYCMXCWJBAO-VIFPVBQESA-N 1 2 270.333 -1.647 20 0 CAADLO COCCOCCS(=O)(=O)N1CC[NH+](CCO)CC1 ZINC000443711473 230332537 /nfs/dbraw/zinc/33/25/37/230332537.db2.gz RFDJWYYPHLSITF-UHFFFAOYSA-N 1 2 296.389 -1.411 20 0 CAADLO O=C(C[NH+]1C[C@H](O)[C@@H](O)C1)NC(=O)NCC(F)(F)F ZINC000444707908 230337476 /nfs/dbraw/zinc/33/74/76/230337476.db2.gz PWEHPQWFYMJKCU-WDSKDSINSA-N 1 2 285.222 -1.588 20 0 CAADLO COC[C@H](C)NC(=O)NC(=O)C[NH+]1C[C@H](O)[C@@H](O)C1 ZINC000444700706 230337734 /nfs/dbraw/zinc/33/77/34/230337734.db2.gz GVCHMCPJBBYAJF-CIUDSAMLSA-N 1 2 275.305 -2.116 20 0 CAADLO COC[C@@H](C)NC(=O)NC(=O)C[N@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000444700739 230337996 /nfs/dbraw/zinc/33/79/96/230337996.db2.gz GVCHMCPJBBYAJF-HLTSFMKQSA-N 1 2 275.305 -2.116 20 0 CAADLO COC[C@@H](C)NC(=O)NC(=O)C[N@@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000444700739 230338000 /nfs/dbraw/zinc/33/80/00/230338000.db2.gz GVCHMCPJBBYAJF-HLTSFMKQSA-N 1 2 275.305 -2.116 20 0 CAADLO COCCCS(=O)(=O)NCC[NH+]1C[C@@H](O)[C@H](O)C1 ZINC000444702601 230338087 /nfs/dbraw/zinc/33/80/87/230338087.db2.gz INQJAHAJUPBOKP-NXEZZACHSA-N 1 2 282.362 -2.020 20 0 CAADLO O=S(=O)(NC[C@@H]1C[NH+]2CCN1CC2)N1CCCC1 ZINC000446934525 230339838 /nfs/dbraw/zinc/33/98/38/230339838.db2.gz VJTCPBQCOWDLBS-LLVKDONJSA-N 1 2 274.390 -1.084 20 0 CAADLO CC[C@H](Nc1nc(NCCO)[nH+]c(NC(C)C)n1)[C@H](C)O ZINC000450805213 529454941 /nfs/dbraw/zinc/45/49/41/529454941.db2.gz ZQANYWKFDJGUBL-UWVGGRQHSA-N 1 2 298.391 -1.067 20 0 CAADLO CC[C@H](Nc1nc(NC(C)C)nc(NCCO)[nH+]1)[C@H](C)O ZINC000450805213 529454944 /nfs/dbraw/zinc/45/49/44/529454944.db2.gz ZQANYWKFDJGUBL-UWVGGRQHSA-N 1 2 298.391 -1.067 20 0 CAADLO CC[C@H](Nc1nc(NCCO)nc(NC(C)C)[nH+]1)[C@H](C)O ZINC000450805213 529454945 /nfs/dbraw/zinc/45/49/45/529454945.db2.gz ZQANYWKFDJGUBL-UWVGGRQHSA-N 1 2 298.391 -1.067 20 0 CAADLO CC[C@H](NC(=O)CN1CC[NH2+]CC1=O)C(=O)OC ZINC000430157577 529476311 /nfs/dbraw/zinc/47/63/11/529476311.db2.gz DSPSSZQGNADTFT-QMMMGPOBSA-N 1 2 257.290 -1.514 20 0 CAADLO C[C@@H](C(=O)N[C@@H]1CN(C)NC1=O)[NH+]1CCSCC1 ZINC000450611197 230347939 /nfs/dbraw/zinc/34/79/39/230347939.db2.gz OPWDTLJGJKDDBM-DTWKUNHWSA-N 1 2 272.374 -1.115 20 0 CAADLO COCC[NH+]1CCN(C(=O)C(=O)N2CCNC(=O)C2)CC1 ZINC000459837237 230352739 /nfs/dbraw/zinc/35/27/39/230352739.db2.gz WRIJHVYGDGLATC-UHFFFAOYSA-N 1 2 298.343 -2.265 20 0 CAADLO CCC(=O)NCC(=O)N[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@H]1O ZINC001191802377 781921157 /nfs/dbraw/zinc/92/11/57/781921157.db2.gz POIWWFOIDSZZJC-KXUCPTDWSA-N 1 2 298.343 -2.438 20 0 CAADLO CCC(=O)NCC(=O)N[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@H]1O ZINC001191802377 781921166 /nfs/dbraw/zinc/92/11/66/781921166.db2.gz POIWWFOIDSZZJC-KXUCPTDWSA-N 1 2 298.343 -2.438 20 0 CAADLO CN(C)S(=O)(=O)NCCNC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493116559 230362719 /nfs/dbraw/zinc/36/27/19/230362719.db2.gz JXFHKTJGSDSLRY-ONEGZZNKSA-N 1 2 287.345 -1.065 20 0 CAADLO CN(C)S(=O)(=O)NCCNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493324717 230363191 /nfs/dbraw/zinc/36/31/91/230363191.db2.gz RICFFQVFUMAZJU-ONEGZZNKSA-N 1 2 287.345 -1.065 20 0 CAADLO CC[C@@H](NC(=O)CN1CC[NH2+]CC1=O)C(=O)OC ZINC000430157575 529596549 /nfs/dbraw/zinc/59/65/49/529596549.db2.gz DSPSSZQGNADTFT-MRVPVSSYSA-N 1 2 257.290 -1.514 20 0 CAADLO COC[C@H](C)C(=O)N[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]1O ZINC001191756322 781921717 /nfs/dbraw/zinc/92/17/17/781921717.db2.gz RZGMNEWWYUBYSD-HBNTYKKESA-N 1 2 287.360 -1.482 20 0 CAADLO COC[C@H](C)C(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1O ZINC001191756322 781921725 /nfs/dbraw/zinc/92/17/25/781921725.db2.gz RZGMNEWWYUBYSD-HBNTYKKESA-N 1 2 287.360 -1.482 20 0 CAADLO CCc1nc(CCNC(=O)CN2CC[NH2+]CC2=O)no1 ZINC000430096663 529733742 /nfs/dbraw/zinc/73/37/42/529733742.db2.gz GZCWKRVXEFWBFJ-UHFFFAOYSA-N 1 2 281.316 -1.278 20 0 CAADLO C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000358155008 529783453 /nfs/dbraw/zinc/78/34/53/529783453.db2.gz NVRPRVKCRAADDU-TUAOUCFPSA-N 1 2 297.355 -1.177 20 0 CAADLO C[N@H+]1CCO[C@@H](CNC(=O)C(=O)N2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000358155008 529783454 /nfs/dbraw/zinc/78/34/54/529783454.db2.gz NVRPRVKCRAADDU-TUAOUCFPSA-N 1 2 297.355 -1.177 20 0 CAADLO C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2CCCOCC2)C1 ZINC000332013015 529788830 /nfs/dbraw/zinc/78/88/30/529788830.db2.gz PKMNXICFTAMSCF-LLVKDONJSA-N 1 2 285.344 -1.318 20 0 CAADLO C[N@H+]1CCO[C@H](CNC(=O)C(=O)N2CCCOCC2)C1 ZINC000332013015 529788831 /nfs/dbraw/zinc/78/88/31/529788831.db2.gz PKMNXICFTAMSCF-LLVKDONJSA-N 1 2 285.344 -1.318 20 0 CAADLO C[N@@H+]1CCO[C@H]2CN(C(=O)Cn3cnnn3)C[C@@H]21 ZINC000151940372 529790618 /nfs/dbraw/zinc/79/06/18/529790618.db2.gz QKVGWZHKNDQPTQ-IUCAKERBSA-N 1 2 252.278 -1.786 20 0 CAADLO C[N@H+]1CCO[C@H]2CN(C(=O)Cn3cnnn3)C[C@@H]21 ZINC000151940372 529790620 /nfs/dbraw/zinc/79/06/20/529790620.db2.gz QKVGWZHKNDQPTQ-IUCAKERBSA-N 1 2 252.278 -1.786 20 0 CAADLO CN1CCO[C@H]2C[N@H+](CC(=O)N3CCOCC3)C[C@H]21 ZINC000352068581 529791015 /nfs/dbraw/zinc/79/10/15/529791015.db2.gz QZPVMVSJBLJDDU-NEPJUHHUSA-N 1 2 269.345 -1.140 20 0 CAADLO CN1CCO[C@H]2C[N@@H+](CC(=O)N3CCOCC3)C[C@H]21 ZINC000352068581 529791017 /nfs/dbraw/zinc/79/10/17/529791017.db2.gz QZPVMVSJBLJDDU-NEPJUHHUSA-N 1 2 269.345 -1.140 20 0 CAADLO CN1CCO[C@H]2C[N@H+](CC(=O)NC(=O)NC3CC3)C[C@@H]21 ZINC000121098720 529791078 /nfs/dbraw/zinc/79/10/78/529791078.db2.gz ZHVKNHVVYKCIQS-QWRGUYRKSA-N 1 2 282.344 -1.011 20 0 CAADLO CN1CCO[C@H]2C[N@@H+](CC(=O)NC(=O)NC3CC3)C[C@@H]21 ZINC000121098720 529791079 /nfs/dbraw/zinc/79/10/79/529791079.db2.gz ZHVKNHVVYKCIQS-QWRGUYRKSA-N 1 2 282.344 -1.011 20 0 CAADLO C[N@@H+]1CCO[C@H]2CN(CC(=O)NC(=O)NC3CC3)C[C@@H]21 ZINC000121098720 529791080 /nfs/dbraw/zinc/79/10/80/529791080.db2.gz ZHVKNHVVYKCIQS-QWRGUYRKSA-N 1 2 282.344 -1.011 20 0 CAADLO C[N@H+]1CCO[C@H]2CN(CC(=O)NC(=O)NC3CC3)C[C@@H]21 ZINC000121098720 529791081 /nfs/dbraw/zinc/79/10/81/529791081.db2.gz ZHVKNHVVYKCIQS-QWRGUYRKSA-N 1 2 282.344 -1.011 20 0 CAADLO CN1CC[C@@H](NC(=O)CN2CC[NH2+]CC2=O)C1=O ZINC000430540824 529795044 /nfs/dbraw/zinc/79/50/44/529795044.db2.gz GPURAMXZITUVJN-MRVPVSSYSA-N 1 2 254.290 -2.235 20 0 CAADLO CN1CC[C@H]([N@@H+]2CC[C@H](NS(C)(=O)=O)C2)C1=O ZINC000116887935 529805176 /nfs/dbraw/zinc/80/51/76/529805176.db2.gz CFDKMXGPYQFSKM-IUCAKERBSA-N 1 2 261.347 -1.159 20 0 CAADLO CN1CC[C@H]([N@H+]2CC[C@H](NS(C)(=O)=O)C2)C1=O ZINC000116887935 529805177 /nfs/dbraw/zinc/80/51/77/529805177.db2.gz CFDKMXGPYQFSKM-IUCAKERBSA-N 1 2 261.347 -1.159 20 0 CAADLO CN(C)c1[nH+]cc(CNC(=O)CN2CCNCC2=O)n1C ZINC000430720166 529808603 /nfs/dbraw/zinc/80/86/03/529808603.db2.gz LZKYRHYAMSKHNU-UHFFFAOYSA-N 1 2 294.359 -1.466 20 0 CAADLO CN1C[C@H](C(=O)NC[C@@H]2C[N@H+](C)CCO2)CC1=O ZINC000194620571 529824656 /nfs/dbraw/zinc/82/46/56/529824656.db2.gz NGQIBBLYFLRSFF-NXEZZACHSA-N 1 2 255.318 -1.089 20 0 CAADLO CN1C[C@H](C(=O)NC[C@@H]2C[N@@H+](C)CCO2)CC1=O ZINC000194620571 529824657 /nfs/dbraw/zinc/82/46/57/529824657.db2.gz NGQIBBLYFLRSFF-NXEZZACHSA-N 1 2 255.318 -1.089 20 0 CAADLO CN1C[C@H](C[N@@H+]2CCN3C(=O)C(=O)NC[C@H]3C2)OC1=O ZINC000496812734 529825655 /nfs/dbraw/zinc/82/56/55/529825655.db2.gz ULWOHVBXFGQNAQ-DTWKUNHWSA-N 1 2 282.300 -1.920 20 0 CAADLO CN1C[C@H](C[N@H+]2CCN3C(=O)C(=O)NC[C@H]3C2)OC1=O ZINC000496812734 529825656 /nfs/dbraw/zinc/82/56/56/529825656.db2.gz ULWOHVBXFGQNAQ-DTWKUNHWSA-N 1 2 282.300 -1.920 20 0 CAADLO C[N@H+](CC(=O)N(CC(N)=O)CC(N)=O)Cc1ccccc1 ZINC000347667632 529826177 /nfs/dbraw/zinc/82/61/77/529826177.db2.gz CEOWXJJIHSCKRA-UHFFFAOYSA-N 1 2 292.339 -1.082 20 0 CAADLO C[N@@H+](CC(=O)N(CC(N)=O)CC(N)=O)Cc1ccccc1 ZINC000347667632 529826178 /nfs/dbraw/zinc/82/61/78/529826178.db2.gz CEOWXJJIHSCKRA-UHFFFAOYSA-N 1 2 292.339 -1.082 20 0 CAADLO C[N@H+](CC(=O)N1CCNC(=O)C1)[C@H]1CCCCNC1=O ZINC000105609209 529828062 /nfs/dbraw/zinc/82/80/62/529828062.db2.gz ARWYBCXAGKYRCR-JTQLQIEISA-N 1 2 282.344 -1.455 20 0 CAADLO C[N@@H+](CC(=O)N1CCNC(=O)C1)[C@H]1CCCCNC1=O ZINC000105609209 529828064 /nfs/dbraw/zinc/82/80/64/529828064.db2.gz ARWYBCXAGKYRCR-JTQLQIEISA-N 1 2 282.344 -1.455 20 0 CAADLO C[N@@H+](CC(=O)N1CCNC(=O)C1)C[C@@H](O)C(F)(F)F ZINC000181332791 529828261 /nfs/dbraw/zinc/82/82/61/529828261.db2.gz PMNMNKSGLDHYCV-SSDOTTSWSA-N 1 2 283.250 -1.200 20 0 CAADLO C[N@H+](CC(=O)N1CCNC(=O)C1)C[C@@H](O)C(F)(F)F ZINC000181332791 529828262 /nfs/dbraw/zinc/82/82/62/529828262.db2.gz PMNMNKSGLDHYCV-SSDOTTSWSA-N 1 2 283.250 -1.200 20 0 CAADLO C[N@@H+](CC(=O)N1CCNC(=O)C1)C[C@H](O)C(F)(F)F ZINC000181332771 529828293 /nfs/dbraw/zinc/82/82/93/529828293.db2.gz PMNMNKSGLDHYCV-ZETCQYMHSA-N 1 2 283.250 -1.200 20 0 CAADLO C[N@H+](CC(=O)N1CCNC(=O)C1)C[C@H](O)C(F)(F)F ZINC000181332771 529828295 /nfs/dbraw/zinc/82/82/95/529828295.db2.gz PMNMNKSGLDHYCV-ZETCQYMHSA-N 1 2 283.250 -1.200 20 0 CAADLO C[N@H+](CC(=O)N1CCNC(=O)C1)[C@@H]1CCCCNC1=O ZINC000105609203 529828402 /nfs/dbraw/zinc/82/84/02/529828402.db2.gz ARWYBCXAGKYRCR-SNVBAGLBSA-N 1 2 282.344 -1.455 20 0 CAADLO C[N@@H+](CC(=O)N1CCNC(=O)C1)[C@@H]1CCCCNC1=O ZINC000105609203 529828403 /nfs/dbraw/zinc/82/84/03/529828403.db2.gz ARWYBCXAGKYRCR-SNVBAGLBSA-N 1 2 282.344 -1.455 20 0 CAADLO CNC(=O)C1(C(=O)NC[C@@H]2C[NH+]3CCN2CC3)CC1 ZINC000178731833 529840605 /nfs/dbraw/zinc/84/06/05/529840605.db2.gz VTSBJJBVXDZYSP-SNVBAGLBSA-N 1 2 266.345 -1.371 20 0 CAADLO CNC(=O)CC(=O)N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC000332138528 529844507 /nfs/dbraw/zinc/84/45/07/529844507.db2.gz GIACAYLGLMULMN-JTQLQIEISA-N 1 2 296.371 -1.066 20 0 CAADLO CN(CC(=O)NC1CC1)C[C@H](O)C[NH+]1CCOCC1 ZINC000078777782 529832125 /nfs/dbraw/zinc/83/21/25/529832125.db2.gz XEXPKQNGROZKCJ-LBPRGKRZSA-N 1 2 271.361 -1.110 20 0 CAADLO CN(CC(=O)NC1CC1)C[C@@H](O)C[NH+]1CCOCC1 ZINC000078777784 529832177 /nfs/dbraw/zinc/83/21/77/529832177.db2.gz XEXPKQNGROZKCJ-GFCCVEGCSA-N 1 2 271.361 -1.110 20 0 CAADLO C[N@H+](CC(=O)NCC(=O)NC(C)(C)C)[C@H]1COC[C@@H]1O ZINC000352797478 529832929 /nfs/dbraw/zinc/83/29/29/529832929.db2.gz ILDXXYVMILBSIG-UWVGGRQHSA-N 1 2 287.360 -1.291 20 0 CAADLO C[N@@H+](CC(=O)NCC(=O)NC(C)(C)C)[C@H]1COC[C@@H]1O ZINC000352797478 529832930 /nfs/dbraw/zinc/83/29/30/529832930.db2.gz ILDXXYVMILBSIG-UWVGGRQHSA-N 1 2 287.360 -1.291 20 0 CAADLO CNc1nc(N[C@H]2CCOC2)nc(N[C@@H]2CCOC2)[nH+]1 ZINC000345043853 529833784 /nfs/dbraw/zinc/83/37/84/529833784.db2.gz KHXHGCKKYRZBKO-DTORHVGOSA-N 1 2 280.332 -1.419 20 0 CAADLO CNc1nc(N[C@@H]2CCOC2)nc(N[C@H]2CCOC2)[nH+]1 ZINC000345043853 529833787 /nfs/dbraw/zinc/83/37/87/529833787.db2.gz KHXHGCKKYRZBKO-DTORHVGOSA-N 1 2 280.332 -1.419 20 0 CAADLO CNc1nc(N[C@@H]2CCOC2)[nH+]c(N[C@H]2CCOC2)n1 ZINC000345043853 529833789 /nfs/dbraw/zinc/83/37/89/529833789.db2.gz KHXHGCKKYRZBKO-DTORHVGOSA-N 1 2 280.332 -1.419 20 0 CAADLO C[N@H+](CC(=O)NCCCN1CCCC1=O)[C@H]1COC[C@@H]1O ZINC000352794317 529833911 /nfs/dbraw/zinc/83/39/11/529833911.db2.gz AHEILRXUEIRVQY-RYUDHWBXSA-N 1 2 299.371 -1.193 20 0 CAADLO C[N@@H+](CC(=O)NCCCN1CCCC1=O)[C@H]1COC[C@@H]1O ZINC000352794317 529833912 /nfs/dbraw/zinc/83/39/12/529833912.db2.gz AHEILRXUEIRVQY-RYUDHWBXSA-N 1 2 299.371 -1.193 20 0 CAADLO C[N@H+](CC(=O)NCCCN1CCCC1=O)[C@H]1COC[C@H]1O ZINC000352794315 529833928 /nfs/dbraw/zinc/83/39/28/529833928.db2.gz AHEILRXUEIRVQY-NWDGAFQWSA-N 1 2 299.371 -1.193 20 0 CAADLO C[N@@H+](CC(=O)NCCCN1CCCC1=O)[C@H]1COC[C@H]1O ZINC000352794315 529833930 /nfs/dbraw/zinc/83/39/30/529833930.db2.gz AHEILRXUEIRVQY-NWDGAFQWSA-N 1 2 299.371 -1.193 20 0 CAADLO C[N@H+](CC(=O)NCCCN1CCCC1=O)[C@@H]1COC[C@H]1O ZINC000352794319 529834010 /nfs/dbraw/zinc/83/40/10/529834010.db2.gz AHEILRXUEIRVQY-VXGBXAGGSA-N 1 2 299.371 -1.193 20 0 CAADLO C[N@@H+](CC(=O)NCCCN1CCCC1=O)[C@@H]1COC[C@H]1O ZINC000352794319 529834012 /nfs/dbraw/zinc/83/40/12/529834012.db2.gz AHEILRXUEIRVQY-VXGBXAGGSA-N 1 2 299.371 -1.193 20 0 CAADLO CNC(=O)C[NH+]1CCC(NS(=O)(=O)NC)CC1 ZINC000428955337 529862371 /nfs/dbraw/zinc/86/23/71/529862371.db2.gz UVEINWWBJZNZEN-UHFFFAOYSA-N 1 2 264.351 -1.749 20 0 CAADLO CNC(=O)CCCNC(=O)CN1CC[NH2+]CC1=O ZINC000429914243 529853483 /nfs/dbraw/zinc/85/34/83/529853483.db2.gz NXSJGHFIYUXALS-UHFFFAOYSA-N 1 2 256.306 -1.939 20 0 CAADLO CNC(=O)CC[NH+]1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC000077169116 529857623 /nfs/dbraw/zinc/85/76/23/529857623.db2.gz OBLUJUJQGBPYCM-UHFFFAOYSA-N 1 2 296.371 -1.111 20 0 CAADLO CNC(=O)CCNC(=O)C[N@H+](C)CC(=O)NC(C)C ZINC000347994118 529857942 /nfs/dbraw/zinc/85/79/42/529857942.db2.gz PKBAIWYRXDJUFR-UHFFFAOYSA-N 1 2 272.349 -1.305 20 0 CAADLO CNC(=O)CCNC(=O)C[N@@H+](C)CC(=O)NC(C)C ZINC000347994118 529857943 /nfs/dbraw/zinc/85/79/43/529857943.db2.gz PKBAIWYRXDJUFR-UHFFFAOYSA-N 1 2 272.349 -1.305 20 0 CAADLO CNC(=O)CCNC(=O)NCC[NH+]1CCOCC1 ZINC000049154641 529858022 /nfs/dbraw/zinc/85/80/22/529858022.db2.gz NNQZGZDHQQPJGN-UHFFFAOYSA-N 1 2 258.322 -1.246 20 0 CAADLO CNC(=O)NC(=O)CC[N@@H+]1C[C@@H](O)C[C@H]1C(=O)OC ZINC000252788241 529879325 /nfs/dbraw/zinc/87/93/25/529879325.db2.gz WWTUFVNNPPHDJV-YUMQZZPRSA-N 1 2 273.289 -1.560 20 0 CAADLO CNC(=O)NC(=O)CC[N@H+]1C[C@@H](O)C[C@H]1C(=O)OC ZINC000252788241 529879327 /nfs/dbraw/zinc/87/93/27/529879327.db2.gz WWTUFVNNPPHDJV-YUMQZZPRSA-N 1 2 273.289 -1.560 20 0 CAADLO CNC(=O)NC(=O)CN1CCN(Cc2[nH+]ccn2C)CC1 ZINC000105930919 529879824 /nfs/dbraw/zinc/87/98/24/529879824.db2.gz XGWJKWODCBBZPS-UHFFFAOYSA-N 1 2 294.359 -1.007 20 0 CAADLO CNC(=O)NC(=O)[C@H](C)[N@@H+]1CCc2nn(C)c(=O)cc2C1 ZINC000078620627 529881017 /nfs/dbraw/zinc/88/10/17/529881017.db2.gz DAFBEMGTPLVLSK-QMMMGPOBSA-N 1 2 293.327 -1.018 20 0 CAADLO CNC(=O)NC(=O)[C@H](C)[N@H+]1CCc2nn(C)c(=O)cc2C1 ZINC000078620627 529881018 /nfs/dbraw/zinc/88/10/18/529881018.db2.gz DAFBEMGTPLVLSK-QMMMGPOBSA-N 1 2 293.327 -1.018 20 0 CAADLO Cn1c(N)c(C(=O)C[N@H+](C)CCO)c(=O)n(C)c1=O ZINC000123123468 529920478 /nfs/dbraw/zinc/92/04/78/529920478.db2.gz HGNDOKXQQIOGPP-UHFFFAOYSA-N 1 2 270.289 -2.227 20 0 CAADLO Cn1c(N)c(C(=O)C[N@@H+](C)CCO)c(=O)n(C)c1=O ZINC000123123468 529920479 /nfs/dbraw/zinc/92/04/79/529920479.db2.gz HGNDOKXQQIOGPP-UHFFFAOYSA-N 1 2 270.289 -2.227 20 0 CAADLO CN(CC[NH+]1CCOCC1)C(=O)C1(CO)COC1 ZINC000329220922 529910796 /nfs/dbraw/zinc/91/07/96/529910796.db2.gz UEXSEDDFCIKZPY-UHFFFAOYSA-N 1 2 258.318 -1.214 20 0 CAADLO CN(CC[NH+]1CCOCC1)C(=O)[C@@H]1COC(=O)N1 ZINC000495795384 529911317 /nfs/dbraw/zinc/91/13/17/529911317.db2.gz YDRVDWKWCVEBMN-VIFPVBQESA-N 1 2 257.290 -1.115 20 0 CAADLO CN(C[C@@H](O)C[NH+]1CCOCC1)S(=O)(=O)C1COC1 ZINC000330228484 529942563 /nfs/dbraw/zinc/94/25/63/529942563.db2.gz VKZVJDKKSQQXMS-SNVBAGLBSA-N 1 2 294.373 -1.660 20 0 CAADLO CNC(=O)[C@H]1C[N@H+](C[C@H]2CN(C)C(=O)O2)CCO1 ZINC000495733190 529928581 /nfs/dbraw/zinc/92/85/81/529928581.db2.gz ZLVKIQPFHHRDFO-RKDXNWHRSA-N 1 2 257.290 -1.116 20 0 CAADLO CNC(=O)[C@H]1C[N@@H+](C[C@H]2CN(C)C(=O)O2)CCO1 ZINC000495733190 529928582 /nfs/dbraw/zinc/92/85/82/529928582.db2.gz ZLVKIQPFHHRDFO-RKDXNWHRSA-N 1 2 257.290 -1.116 20 0 CAADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)Cn1cnnn1 ZINC000434487199 529942187 /nfs/dbraw/zinc/94/21/87/529942187.db2.gz VOPLRUAYAHDBNY-SNVBAGLBSA-N 1 2 284.320 -2.175 20 0 CAADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)[C@H]1CCCC(=O)N1 ZINC000333435057 529942236 /nfs/dbraw/zinc/94/22/36/529942236.db2.gz IMLCZFFVFDNKAQ-VXGBXAGGSA-N 1 2 299.371 -1.193 20 0 CAADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)[C@H]1COC(=O)N1 ZINC000496771842 529942330 /nfs/dbraw/zinc/94/23/30/529942330.db2.gz DDDSZSPHWKBEGB-NXEZZACHSA-N 1 2 287.316 -1.754 20 0 CAADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)[C@@H]1CC(=O)N(C)C1 ZINC000329038524 529942404 /nfs/dbraw/zinc/94/24/04/529942404.db2.gz SAHUICXEOOHIGN-VXGBXAGGSA-N 1 2 299.371 -1.384 20 0 CAADLO CN(C[C@@H](O)C[NH+]1CCOCC1)c1cncc(C(N)=O)n1 ZINC000433778795 529942433 /nfs/dbraw/zinc/94/24/33/529942433.db2.gz BYWDNZLKVVCZCS-SNVBAGLBSA-N 1 2 295.343 -1.295 20 0 CAADLO CN(C[C@H](O)C[NH+]1CCOCC1)c1cncc(C(N)=O)n1 ZINC000433778794 529959698 /nfs/dbraw/zinc/95/96/98/529959698.db2.gz BYWDNZLKVVCZCS-JTQLQIEISA-N 1 2 295.343 -1.295 20 0 CAADLO CN(C[C@H](O)C[NH+]1CCOCC1)S(=O)(=O)C1COC1 ZINC000330228483 529959723 /nfs/dbraw/zinc/95/97/23/529959723.db2.gz VKZVJDKKSQQXMS-JTQLQIEISA-N 1 2 294.373 -1.660 20 0 CAADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)Cn1cnnn1 ZINC000434487194 529959879 /nfs/dbraw/zinc/95/98/79/529959879.db2.gz VOPLRUAYAHDBNY-JTQLQIEISA-N 1 2 284.320 -2.175 20 0 CAADLO CN(C[C@H](O)C[NH+]1CCOCC1)c1ccc(C(N)=O)nn1 ZINC000433780694 529959911 /nfs/dbraw/zinc/95/99/11/529959911.db2.gz CPJYCYBQGIZWNE-JTQLQIEISA-N 1 2 295.343 -1.295 20 0 CAADLO C[C@@](O)(CNS(=O)(=O)N1CCC1)C[NH+]1CCOCC1 ZINC000573630925 334953655 /nfs/dbraw/zinc/95/36/55/334953655.db2.gz GAKGQNCBFMWYKH-LLVKDONJSA-N 1 2 293.389 -1.390 20 0 CAADLO NC(=O)CC(=O)N[C@@H]1C[N@@H+](Cc2cncs2)C[C@H]1O ZINC001191989014 781924422 /nfs/dbraw/zinc/92/44/22/781924422.db2.gz UUWUHRGPZICAOH-RKDXNWHRSA-N 1 2 284.341 -1.320 20 0 CAADLO NC(=O)CC(=O)N[C@@H]1C[N@H+](Cc2cncs2)C[C@H]1O ZINC001191989014 781924415 /nfs/dbraw/zinc/92/44/15/781924415.db2.gz UUWUHRGPZICAOH-RKDXNWHRSA-N 1 2 284.341 -1.320 20 0 CAADLO CNS(=O)(=O)NCC(=O)Nc1cc[nH+]c(C)c1 ZINC000448963070 530021988 /nfs/dbraw/zinc/02/19/88/530021988.db2.gz VAHAPTXCWNGWOX-UHFFFAOYSA-N 1 2 258.303 -1.196 20 0 CAADLO CNS(=O)(=O)NC[C@@](C)(O)C[NH+]1CCOCC1 ZINC000351945961 530023195 /nfs/dbraw/zinc/02/31/95/530023195.db2.gz WDACKOJXPCQCQP-SECBINFHSA-N 1 2 267.351 -1.877 20 0 CAADLO C[NH+]1CCN(C(=O)C(=O)N2CCC[C@@H](O)C2)CC1 ZINC000459821291 530066179 /nfs/dbraw/zinc/06/61/79/530066179.db2.gz XSQYOXJQUZSXNL-SNVBAGLBSA-N 1 2 255.318 -1.256 20 0 CAADLO C[NH+]1CCN(C(=O)C(=O)N2CCC[C@@H]2CO)CC1 ZINC000459900150 530066198 /nfs/dbraw/zinc/06/61/98/530066198.db2.gz RDWFEHWXZTYCFF-SNVBAGLBSA-N 1 2 255.318 -1.256 20 0 CAADLO C[NH+]1CCN(C(=O)C(=O)N2CCN3CCOC[C@H]3C2)CC1 ZINC000332579936 530066511 /nfs/dbraw/zinc/06/65/11/530066511.db2.gz FILGCAFQZVWWKK-GFCCVEGCSA-N 1 2 296.371 -1.697 20 0 CAADLO CN1CCN(CC(=O)NCCc2[nH]cc[nH+]2)CC1=O ZINC000333347325 530071473 /nfs/dbraw/zinc/07/14/73/530071473.db2.gz QTQSWFFNMROJEZ-UHFFFAOYSA-N 1 2 265.317 -1.158 20 0 CAADLO CN1CCN(CC(=O)NCc2c[nH+]c[nH]2)CC1=O ZINC000333375921 530071690 /nfs/dbraw/zinc/07/16/90/530071690.db2.gz WRNIWYDHVGOBBA-UHFFFAOYSA-N 1 2 251.290 -1.200 20 0 CAADLO CN1CCN(CC(=O)NCc2c[nH]c[nH+]2)CC1=O ZINC000333375921 530071691 /nfs/dbraw/zinc/07/16/91/530071691.db2.gz WRNIWYDHVGOBBA-UHFFFAOYSA-N 1 2 251.290 -1.200 20 0 CAADLO Cc1ncoc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC(N)=O)C1 ZINC001191987167 781925126 /nfs/dbraw/zinc/92/51/26/781925126.db2.gz IACGMHJGOZWFGW-RKDXNWHRSA-N 1 2 282.300 -1.480 20 0 CAADLO Cc1ncoc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)CC(N)=O)C1 ZINC001191987167 781925134 /nfs/dbraw/zinc/92/51/34/781925134.db2.gz IACGMHJGOZWFGW-RKDXNWHRSA-N 1 2 282.300 -1.480 20 0 CAADLO Cc1cc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)CC(N)=O)C2)sn1 ZINC001191988625 781926193 /nfs/dbraw/zinc/92/61/93/781926193.db2.gz QSLLVWWWLHMONJ-NXEZZACHSA-N 1 2 298.368 -1.012 20 0 CAADLO Cc1cc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)CC(N)=O)C2)sn1 ZINC001191988625 781926203 /nfs/dbraw/zinc/92/62/03/781926203.db2.gz QSLLVWWWLHMONJ-NXEZZACHSA-N 1 2 298.368 -1.012 20 0 CAADLO CN1CC[C@@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)CC(N)=O)C2)C1=O ZINC001191987165 781926245 /nfs/dbraw/zinc/92/62/45/781926245.db2.gz HYKWQQXVHVLBIG-IWSPIJDZSA-N 1 2 284.316 -2.746 20 0 CAADLO CN1CC[C@@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)CC(N)=O)C2)C1=O ZINC001191987165 781926255 /nfs/dbraw/zinc/92/62/55/781926255.db2.gz HYKWQQXVHVLBIG-IWSPIJDZSA-N 1 2 284.316 -2.746 20 0 CAADLO NC(=O)CC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCCC2)C[C@H]1O ZINC001191967267 781926792 /nfs/dbraw/zinc/92/67/92/781926792.db2.gz GQVUZPCLDYWWSP-NXEZZACHSA-N 1 2 298.343 -2.355 20 0 CAADLO NC(=O)CC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCCC2)C[C@H]1O ZINC001191967267 781926803 /nfs/dbraw/zinc/92/68/03/781926803.db2.gz GQVUZPCLDYWWSP-NXEZZACHSA-N 1 2 298.343 -2.355 20 0 CAADLO CCc1nocc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC(N)=O)C1 ZINC001191967004 781927851 /nfs/dbraw/zinc/92/78/51/781927851.db2.gz CVWRWFPBTMEEDI-GHMZBOCLSA-N 1 2 296.327 -1.226 20 0 CAADLO CCc1nocc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)CC(N)=O)C1 ZINC001191967004 781927856 /nfs/dbraw/zinc/92/78/56/781927856.db2.gz CVWRWFPBTMEEDI-GHMZBOCLSA-N 1 2 296.327 -1.226 20 0 CAADLO Cc1cc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)CC(N)=O)C2)on1 ZINC001191967577 781928380 /nfs/dbraw/zinc/92/83/80/781928380.db2.gz MUSIJZBVICKJRG-NXEZZACHSA-N 1 2 282.300 -1.480 20 0 CAADLO Cc1cc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)CC(N)=O)C2)on1 ZINC001191967577 781928387 /nfs/dbraw/zinc/92/83/87/781928387.db2.gz MUSIJZBVICKJRG-NXEZZACHSA-N 1 2 282.300 -1.480 20 0 CAADLO CCCCOCC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@H]1O ZINC001191995365 781928419 /nfs/dbraw/zinc/92/84/19/781928419.db2.gz JTIPADLAGIXSHB-IJLUTSLNSA-N 1 2 299.371 -1.147 20 0 CAADLO CCCCOCC(=O)N[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@H]1O ZINC001191995365 781928424 /nfs/dbraw/zinc/92/84/24/781928424.db2.gz JTIPADLAGIXSHB-IJLUTSLNSA-N 1 2 299.371 -1.147 20 0 CAADLO C[C@@H](c1cnccn1)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC(N)=O)C1 ZINC001191978554 781928797 /nfs/dbraw/zinc/92/87/97/781928797.db2.gz LGAWHQPJXIDJSG-JMJZKYOTSA-N 1 2 293.327 -1.426 20 0 CAADLO C[C@@H](c1cnccn1)[N@H+]1C[C@@H](O)[C@H](NC(=O)CC(N)=O)C1 ZINC001191978554 781928805 /nfs/dbraw/zinc/92/88/05/781928805.db2.gz LGAWHQPJXIDJSG-JMJZKYOTSA-N 1 2 293.327 -1.426 20 0 CAADLO C[C@@H](C(=O)N[C@H](CO)C[NH+]1CCCC1)S(C)(=O)=O ZINC000673533804 545594744 /nfs/dbraw/zinc/59/47/44/545594744.db2.gz VQNRHYJNJUXGAT-UWVGGRQHSA-N 1 2 278.374 -1.008 20 0 CAADLO NC(=O)CC(=O)N[C@@H]1C[N@H+](CC(=O)NC2CC2)C[C@H]1O ZINC001191979788 781929045 /nfs/dbraw/zinc/92/90/45/781929045.db2.gz WAUPKHWCVCBPNK-RKDXNWHRSA-N 1 2 284.316 -2.698 20 0 CAADLO NC(=O)CC(=O)N[C@@H]1C[N@@H+](CC(=O)NC2CC2)C[C@H]1O ZINC001191979788 781929048 /nfs/dbraw/zinc/92/90/48/781929048.db2.gz WAUPKHWCVCBPNK-RKDXNWHRSA-N 1 2 284.316 -2.698 20 0 CAADLO COCC(=O)NCC[NH+]1CCN(C(=O)COC)CC1 ZINC000673539278 545595437 /nfs/dbraw/zinc/59/54/37/545595437.db2.gz NSNZQHQOOFILOE-UHFFFAOYSA-N 1 2 273.333 -1.460 20 0 CAADLO CCNC(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC(N)=O)C1 ZINC001191980029 781929284 /nfs/dbraw/zinc/92/92/84/781929284.db2.gz ZZXYWYAWLHPETP-HTQZYQBOSA-N 1 2 272.305 -2.841 20 0 CAADLO CCNC(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CC(N)=O)C1 ZINC001191980029 781929295 /nfs/dbraw/zinc/92/92/95/781929295.db2.gz ZZXYWYAWLHPETP-HTQZYQBOSA-N 1 2 272.305 -2.841 20 0 CAADLO NC(=O)CC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@H]1O ZINC001191978706 781929547 /nfs/dbraw/zinc/92/95/47/781929547.db2.gz NIGHXRIPPATUPN-BWZBUEFSSA-N 1 2 270.289 -3.088 20 0 CAADLO NC(=O)CC(=O)N[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@H]1O ZINC001191978706 781929554 /nfs/dbraw/zinc/92/95/54/781929554.db2.gz NIGHXRIPPATUPN-BWZBUEFSSA-N 1 2 270.289 -3.088 20 0 CAADLO CN(C)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC(N)=O)C1 ZINC001191977323 781929611 /nfs/dbraw/zinc/92/96/11/781929611.db2.gz AQGLFXACQNLOTP-HTQZYQBOSA-N 1 2 272.305 -2.889 20 0 CAADLO CN(C)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CC(N)=O)C1 ZINC001191977323 781929616 /nfs/dbraw/zinc/92/96/16/781929616.db2.gz AQGLFXACQNLOTP-HTQZYQBOSA-N 1 2 272.305 -2.889 20 0 CAADLO CC(C)(C(N)=O)[NH+]1CCN(C(=O)C2(C(N)=O)CC2)CC1 ZINC000673908722 545596527 /nfs/dbraw/zinc/59/65/27/545596527.db2.gz YWMKJJLQQXIZIT-UHFFFAOYSA-N 1 2 282.344 -1.340 20 0 CAADLO C[C@H](C[NH+]1CCOCC1)NC(=O)c1nc2n(n1)CCCN2 ZINC000673924763 545596544 /nfs/dbraw/zinc/59/65/44/545596544.db2.gz UAZZVGQHMRISGD-SNVBAGLBSA-N 1 2 294.359 -1.198 20 0 CAADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)c1nc2n(n1)CCCN2 ZINC000673924762 545596687 /nfs/dbraw/zinc/59/66/87/545596687.db2.gz UAZZVGQHMRISGD-JTQLQIEISA-N 1 2 294.359 -1.198 20 0 CAADLO NC(=O)CC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1O ZINC001191979810 781930416 /nfs/dbraw/zinc/93/04/16/781930416.db2.gz WPGQZOMZFBHGIJ-BWZBUEFSSA-N 1 2 298.299 -3.172 20 0 CAADLO NC(=O)CC(=O)N[C@@H]1C[N@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1O ZINC001191979810 781930418 /nfs/dbraw/zinc/93/04/18/781930418.db2.gz WPGQZOMZFBHGIJ-BWZBUEFSSA-N 1 2 298.299 -3.172 20 0 CAADLO CNC(=O)C[NH+]1CCN(c2cncc(C(N)=O)n2)CC1 ZINC000674243656 545597720 /nfs/dbraw/zinc/59/77/20/545597720.db2.gz PAJSFNJVSZRMFZ-UHFFFAOYSA-N 1 2 278.316 -1.557 20 0 CAADLO NC(=O)CC(=O)N[C@@H]1C[N@@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1O ZINC001191979812 781930464 /nfs/dbraw/zinc/93/04/64/781930464.db2.gz WPGQZOMZFBHGIJ-GJMOJQLCSA-N 1 2 298.299 -3.172 20 0 CAADLO NC(=O)CC(=O)N[C@@H]1C[N@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1O ZINC001191979812 781930474 /nfs/dbraw/zinc/93/04/74/781930474.db2.gz WPGQZOMZFBHGIJ-GJMOJQLCSA-N 1 2 298.299 -3.172 20 0 CAADLO CCN1C(=O)[C@H]2C[N@@H+]([C@@H](C)C(N)=O)CCN2C1=O ZINC000674470532 545598965 /nfs/dbraw/zinc/59/89/65/545598965.db2.gz XTOBSQCNVVKOEG-JGVFFNPUSA-N 1 2 254.290 -1.172 20 0 CAADLO CCN1C(=O)[C@H]2C[N@H+]([C@@H](C)C(N)=O)CCN2C1=O ZINC000674470532 545598966 /nfs/dbraw/zinc/59/89/66/545598966.db2.gz XTOBSQCNVVKOEG-JGVFFNPUSA-N 1 2 254.290 -1.172 20 0 CAADLO COc1cc[nH+]cc1NC(=O)C(=O)N1C[C@H](O)C[C@H](O)C1 ZINC000674476395 545599139 /nfs/dbraw/zinc/59/91/39/545599139.db2.gz WFSHKZOCIUCEOR-DTORHVGOSA-N 1 2 295.295 -1.017 20 0 CAADLO O=C(CN1CC(=O)NC1=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000675218627 545599770 /nfs/dbraw/zinc/59/97/70/545599770.db2.gz RCGXKHACYYJGLD-SNVBAGLBSA-N 1 2 296.327 -1.529 20 0 CAADLO C[N@@H+]1CCO[C@H]2CCN(CCNS(C)(=O)=O)C[C@H]21 ZINC000332685543 283030095 /nfs/dbraw/zinc/03/00/95/283030095.db2.gz OKCTZQNJKVEPSH-MNOVXSKESA-N 1 2 277.390 -1.060 20 0 CAADLO C[N@H+]1CCO[C@H]2CCN(CCNS(C)(=O)=O)C[C@H]21 ZINC000332685543 283030097 /nfs/dbraw/zinc/03/00/97/283030097.db2.gz OKCTZQNJKVEPSH-MNOVXSKESA-N 1 2 277.390 -1.060 20 0 CAADLO COC(=O)CCNC(=O)C[N@H+](C)[C@@H]1CCNC1=O ZINC000340225612 291036969 /nfs/dbraw/zinc/03/69/69/291036969.db2.gz KQDYDRIMTHQTME-MRVPVSSYSA-N 1 2 257.290 -1.514 20 0 CAADLO COC(=O)CCNC(=O)C[N@@H+](C)[C@@H]1CCNC1=O ZINC000340225612 291036971 /nfs/dbraw/zinc/03/69/71/291036971.db2.gz KQDYDRIMTHQTME-MRVPVSSYSA-N 1 2 257.290 -1.514 20 0 CAADLO COC(=O)CCNC(=O)C[N@H+](C)[C@@H]1CCN(C)C1=O ZINC000265645397 291036813 /nfs/dbraw/zinc/03/68/13/291036813.db2.gz LMFVUKFCYJTUHW-SECBINFHSA-N 1 2 271.317 -1.172 20 0 CAADLO COC(=O)CCNC(=O)C[N@@H+](C)[C@@H]1CCN(C)C1=O ZINC000265645397 291036818 /nfs/dbraw/zinc/03/68/18/291036818.db2.gz LMFVUKFCYJTUHW-SECBINFHSA-N 1 2 271.317 -1.172 20 0 CAADLO CN1CC[C@@H]([N@@H+]2CC[C@H](NS(C)(=O)=O)C2)C1=O ZINC000116887937 283045023 /nfs/dbraw/zinc/04/50/23/283045023.db2.gz CFDKMXGPYQFSKM-DTWKUNHWSA-N 1 2 261.347 -1.159 20 0 CAADLO CN1CC[C@@H]([N@H+]2CC[C@H](NS(C)(=O)=O)C2)C1=O ZINC000116887937 283045027 /nfs/dbraw/zinc/04/50/27/283045027.db2.gz CFDKMXGPYQFSKM-DTWKUNHWSA-N 1 2 261.347 -1.159 20 0 CAADLO Cn1ccc(C[N@@H+]2CCN3C(=O)C(=O)NC[C@@H]3C2)cc1=O ZINC000675894047 545601066 /nfs/dbraw/zinc/60/10/66/545601066.db2.gz ZDVDNFPOOHBQOT-LLVKDONJSA-N 1 2 290.323 -1.472 20 0 CAADLO Cn1ccc(C[N@H+]2CCN3C(=O)C(=O)NC[C@@H]3C2)cc1=O ZINC000675894047 545601073 /nfs/dbraw/zinc/60/10/73/545601073.db2.gz ZDVDNFPOOHBQOT-LLVKDONJSA-N 1 2 290.323 -1.472 20 0 CAADLO C[N@H+](CCCS(C)(=O)=O)[C@@H]1CCN(C(=O)C(N)=O)C1 ZINC001192072320 781933864 /nfs/dbraw/zinc/93/38/64/781933864.db2.gz DENUJGPRWAVKQE-SECBINFHSA-N 1 2 291.373 -1.561 20 0 CAADLO C[N@@H+](CCCS(C)(=O)=O)[C@@H]1CCN(C(=O)C(N)=O)C1 ZINC001192072320 781933876 /nfs/dbraw/zinc/93/38/76/781933876.db2.gz DENUJGPRWAVKQE-SECBINFHSA-N 1 2 291.373 -1.561 20 0 CAADLO CCC[N@H+](CC(=O)NC(N)=O)[C@@H]1CC(=O)N(C)C1=O ZINC000282621242 283095093 /nfs/dbraw/zinc/09/50/93/283095093.db2.gz ZWBLJRZCTXKNGP-SSDOTTSWSA-N 1 2 270.289 -1.349 20 0 CAADLO CCC[N@@H+](CC(=O)NC(N)=O)[C@@H]1CC(=O)N(C)C1=O ZINC000282621242 283095094 /nfs/dbraw/zinc/09/50/94/283095094.db2.gz ZWBLJRZCTXKNGP-SSDOTTSWSA-N 1 2 270.289 -1.349 20 0 CAADLO CCC[N@H+](CC(=O)NC(=O)NC)[C@H]1CC(=O)N(C)C1=O ZINC000282399581 283093877 /nfs/dbraw/zinc/09/38/77/283093877.db2.gz FFYDGXDSVQPPOK-QMMMGPOBSA-N 1 2 284.316 -1.089 20 0 CAADLO CCC[N@@H+](CC(=O)NC(=O)NC)[C@H]1CC(=O)N(C)C1=O ZINC000282399581 283093881 /nfs/dbraw/zinc/09/38/81/283093881.db2.gz FFYDGXDSVQPPOK-QMMMGPOBSA-N 1 2 284.316 -1.089 20 0 CAADLO CCN1C(=O)[C@H]2C[N@@H+]([C@@H]3CCNC3=O)CCN2C1=O ZINC000676241222 545602227 /nfs/dbraw/zinc/60/22/27/545602227.db2.gz JDZWPMGVEJEDGY-RKDXNWHRSA-N 1 2 266.301 -1.157 20 0 CAADLO CCN1C(=O)[C@H]2C[N@H+]([C@@H]3CCNC3=O)CCN2C1=O ZINC000676241222 545602231 /nfs/dbraw/zinc/60/22/31/545602231.db2.gz JDZWPMGVEJEDGY-RKDXNWHRSA-N 1 2 266.301 -1.157 20 0 CAADLO COC(=O)CNC(=O)C[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000280179236 291088143 /nfs/dbraw/zinc/08/81/43/291088143.db2.gz ACZSIFGMPZVRDE-SECBINFHSA-N 1 2 271.317 -1.172 20 0 CAADLO COC(=O)CNC(=O)C[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000280179236 291088147 /nfs/dbraw/zinc/08/81/47/291088147.db2.gz ACZSIFGMPZVRDE-SECBINFHSA-N 1 2 271.317 -1.172 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)/C=C/C2CC2)C1 ZINC001192064284 781934151 /nfs/dbraw/zinc/93/41/51/781934151.db2.gz ZKVJHHJZUPHDAG-QTVLEORXSA-N 1 2 267.329 -1.012 20 0 CAADLO CN(C1CC1)S(=O)(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000676562406 545602763 /nfs/dbraw/zinc/60/27/63/545602763.db2.gz OTNAKGNKFXRNIX-NSHDSACASA-N 1 2 274.390 -1.085 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)/C=C/C2CC2)C1 ZINC001192064284 781934162 /nfs/dbraw/zinc/93/41/62/781934162.db2.gz ZKVJHHJZUPHDAG-QTVLEORXSA-N 1 2 267.329 -1.012 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)/C=C\C2CC2)C1 ZINC001192064286 781934265 /nfs/dbraw/zinc/93/42/65/781934265.db2.gz ZKVJHHJZUPHDAG-YEHPHVCVSA-N 1 2 267.329 -1.012 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)/C=C\C2CC2)C1 ZINC001192064286 781934273 /nfs/dbraw/zinc/93/42/73/781934273.db2.gz ZKVJHHJZUPHDAG-YEHPHVCVSA-N 1 2 267.329 -1.012 20 0 CAADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)C(=O)N1CCC[C@H]1CO ZINC000340254809 295928078 /nfs/dbraw/zinc/92/80/78/295928078.db2.gz ZUKHTKJDWLSLPL-RYUDHWBXSA-N 1 2 299.371 -1.193 20 0 CAADLO CN1N=C(C(=O)NC[C@@H]2C[NH+]3CCN2CC3)CCC1=O ZINC000178605524 283258660 /nfs/dbraw/zinc/25/86/60/283258660.db2.gz BWUTUVRJUBUHBJ-SNVBAGLBSA-N 1 2 279.344 -1.289 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)/C=C\C2CC2)C1 ZINC001192064283 781935506 /nfs/dbraw/zinc/93/55/06/781935506.db2.gz ZKVJHHJZUPHDAG-IRCFAABHSA-N 1 2 267.329 -1.012 20 0 CAADLO NC(=O)c1cc(C(=O)NC[C@@H]2C[NH+]3CCN2CC3)c[nH]1 ZINC000676623685 545603671 /nfs/dbraw/zinc/60/36/71/545603671.db2.gz FYHFQQJEDDKRCV-SNVBAGLBSA-N 1 2 277.328 -1.157 20 0 CAADLO CN(C1CC1)S(=O)(=O)N1CC[NH+](CCO)CC1 ZINC000676844524 545603919 /nfs/dbraw/zinc/60/39/19/545603919.db2.gz BIWQUFUELJQOGG-UHFFFAOYSA-N 1 2 263.363 -1.065 20 0 CAADLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)Cn1cnnn1 ZINC000367728134 291128544 /nfs/dbraw/zinc/12/85/44/291128544.db2.gz RDCZZRLJVZGPNR-QWRGUYRKSA-N 1 2 280.332 -1.005 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)/C=C\C2CC2)C1 ZINC001192064283 781935515 /nfs/dbraw/zinc/93/55/15/781935515.db2.gz ZKVJHHJZUPHDAG-IRCFAABHSA-N 1 2 267.329 -1.012 20 0 CAADLO CC[C@@H](C(=O)N[C@H](CO)C(N)=O)[N@@H+]1CCO[C@H](CC)C1 ZINC000341744777 535425991 /nfs/dbraw/zinc/42/59/91/535425991.db2.gz IEKGLVHJQPTATN-MXWKQRLJSA-N 1 2 287.360 -1.162 20 0 CAADLO CC[C@@H](C(=O)N[C@H](CO)C(N)=O)[N@H+]1CCO[C@H](CC)C1 ZINC000341744777 535425993 /nfs/dbraw/zinc/42/59/93/535425993.db2.gz IEKGLVHJQPTATN-MXWKQRLJSA-N 1 2 287.360 -1.162 20 0 CAADLO C/C=C(/C)C(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC(N)=O)C[C@H]1O ZINC001192147293 781936539 /nfs/dbraw/zinc/93/65/39/781936539.db2.gz SLRVQZZFCMHEIP-HFSRFQGMSA-N 1 2 298.343 -1.303 20 0 CAADLO Cn1cc(C(=O)NC[C@@H]2C[NH+]3CCN2CC3)c(=O)[nH]c1=O ZINC000676595780 545604052 /nfs/dbraw/zinc/60/40/52/545604052.db2.gz RSAMOXGUMJRQIK-SECBINFHSA-N 1 2 293.327 -1.785 20 0 CAADLO COC(=O)C[C@H]1C(=O)NCC[N@H+]1C[C@@](C)(O)C(=O)OC ZINC000429711726 291155522 /nfs/dbraw/zinc/15/55/22/291155522.db2.gz AKTBTFXPURFLKZ-QPUJVOFHSA-N 1 2 288.300 -1.726 20 0 CAADLO COC(=O)C[C@H]1C(=O)NCC[N@@H+]1C[C@@](C)(O)C(=O)OC ZINC000429711726 291155524 /nfs/dbraw/zinc/15/55/24/291155524.db2.gz AKTBTFXPURFLKZ-QPUJVOFHSA-N 1 2 288.300 -1.726 20 0 CAADLO C/C=C(/C)C(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)NC(N)=O)C[C@H]1O ZINC001192147293 781936541 /nfs/dbraw/zinc/93/65/41/781936541.db2.gz SLRVQZZFCMHEIP-HFSRFQGMSA-N 1 2 298.343 -1.303 20 0 CAADLO COC(=O)C[C@H]1COCC[N@@H+]1CCCS(N)(=O)=O ZINC000347467048 291161795 /nfs/dbraw/zinc/16/17/95/291161795.db2.gz QGQMCLLGOWADPK-VIFPVBQESA-N 1 2 280.346 -1.071 20 0 CAADLO COC(=O)C[C@H]1COCC[N@H+]1CCCS(N)(=O)=O ZINC000347467048 291161798 /nfs/dbraw/zinc/16/17/98/291161798.db2.gz QGQMCLLGOWADPK-VIFPVBQESA-N 1 2 280.346 -1.071 20 0 CAADLO O=C([C@H]1CCC(=O)NC1)N(CCO)CC[NH+]1CCOCC1 ZINC000677444623 545604703 /nfs/dbraw/zinc/60/47/03/545604703.db2.gz VVVMDIZDCKCGLN-LBPRGKRZSA-N 1 2 299.371 -1.334 20 0 CAADLO C/C=C(\C)C(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC(N)=O)C[C@H]1O ZINC001192147292 781936614 /nfs/dbraw/zinc/93/66/14/781936614.db2.gz SLRVQZZFCMHEIP-CAIXSRENSA-N 1 2 298.343 -1.303 20 0 CAADLO C/C=C(\C)C(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)NC(N)=O)C[C@H]1O ZINC001192147292 781936620 /nfs/dbraw/zinc/93/66/20/781936620.db2.gz SLRVQZZFCMHEIP-CAIXSRENSA-N 1 2 298.343 -1.303 20 0 CAADLO C/C=C(/C)C(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)NC(N)=O)C[C@H]1O ZINC001192147295 781937071 /nfs/dbraw/zinc/93/70/71/781937071.db2.gz SLRVQZZFCMHEIP-VIGODVGDSA-N 1 2 298.343 -1.303 20 0 CAADLO C/C=C(/C)C(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)NC(N)=O)C[C@H]1O ZINC001192147295 781937082 /nfs/dbraw/zinc/93/70/82/781937082.db2.gz SLRVQZZFCMHEIP-VIGODVGDSA-N 1 2 298.343 -1.303 20 0 CAADLO C[C@@H](NC(=O)C(=O)N(C)CCO)[C@@H](C)[NH+]1CCOCC1 ZINC000343355696 296032512 /nfs/dbraw/zinc/03/25/12/296032512.db2.gz ZJDBRRLYBBXRDL-GHMZBOCLSA-N 1 2 287.360 -1.338 20 0 CAADLO COCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCc2nc[nH]n2)C1 ZINC001192103234 781937868 /nfs/dbraw/zinc/93/78/68/781937868.db2.gz KMUVKBZJXYYWDF-NXEZZACHSA-N 1 2 283.332 -1.455 20 0 CAADLO COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCc2nc[nH]n2)C1 ZINC001192103234 781937876 /nfs/dbraw/zinc/93/78/76/781937876.db2.gz KMUVKBZJXYYWDF-NXEZZACHSA-N 1 2 283.332 -1.455 20 0 CAADLO O=C(CCc1nc[nH]n1)N[C@@H]1C[N@H+](CCO)C[C@H]1O ZINC001192109919 781938248 /nfs/dbraw/zinc/93/82/48/781938248.db2.gz RRTGERTWSXGKGF-RKDXNWHRSA-N 1 2 269.305 -2.109 20 0 CAADLO O=C(CCc1nc[nH]n1)N[C@@H]1C[N@@H+](CCO)C[C@H]1O ZINC001192109919 781938259 /nfs/dbraw/zinc/93/82/59/781938259.db2.gz RRTGERTWSXGKGF-RKDXNWHRSA-N 1 2 269.305 -2.109 20 0 CAADLO CCNC(=O)CC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(N)=O)C[C@H]1O ZINC001192364876 781941225 /nfs/dbraw/zinc/94/12/25/781941225.db2.gz XVAYJDZBQLYONU-IWSPIJDZSA-N 1 2 286.332 -2.452 20 0 CAADLO CCNC(=O)CC(=O)N[C@@H]1C[N@H+]([C@H](C)C(N)=O)C[C@H]1O ZINC001192364876 781941237 /nfs/dbraw/zinc/94/12/37/781941237.db2.gz XVAYJDZBQLYONU-IWSPIJDZSA-N 1 2 286.332 -2.452 20 0 CAADLO CNC(=O)CC(=O)N[C@@H]1C[N@H+](CC(=O)NC)C[C@H]1O ZINC001192429610 781941670 /nfs/dbraw/zinc/94/16/70/781941670.db2.gz NGBRRDUUGOKGAM-HTQZYQBOSA-N 1 2 272.305 -2.970 20 0 CAADLO CNC(=O)CC(=O)N[C@@H]1C[N@@H+](CC(=O)NC)C[C@H]1O ZINC001192429610 781941679 /nfs/dbraw/zinc/94/16/79/781941679.db2.gz NGBRRDUUGOKGAM-HTQZYQBOSA-N 1 2 272.305 -2.970 20 0 CAADLO CCNC(=O)CC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(N)=O)C[C@H]1O ZINC001192364875 781941545 /nfs/dbraw/zinc/94/15/45/781941545.db2.gz XVAYJDZBQLYONU-DJLDLDEBSA-N 1 2 286.332 -2.452 20 0 CAADLO CCNC(=O)CC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(N)=O)C[C@H]1O ZINC001192364875 781941556 /nfs/dbraw/zinc/94/15/56/781941556.db2.gz XVAYJDZBQLYONU-DJLDLDEBSA-N 1 2 286.332 -2.452 20 0 CAADLO CNC(=O)CC(=O)N[C@@H]1C[N@@H+](Cc2cc(C)no2)C[C@H]1O ZINC001192429949 781942644 /nfs/dbraw/zinc/94/26/44/781942644.db2.gz UQOHTJNITYXXBY-GHMZBOCLSA-N 1 2 296.327 -1.220 20 0 CAADLO CNC(=O)CC(=O)N[C@@H]1C[N@H+](Cc2conc2C)C[C@H]1O ZINC001192429413 781941901 /nfs/dbraw/zinc/94/19/01/781941901.db2.gz JWZGTLRGWZDYCG-GHMZBOCLSA-N 1 2 296.327 -1.220 20 0 CAADLO CNC(=O)CC(=O)N[C@@H]1C[N@@H+](Cc2conc2C)C[C@H]1O ZINC001192429413 781941907 /nfs/dbraw/zinc/94/19/07/781941907.db2.gz JWZGTLRGWZDYCG-GHMZBOCLSA-N 1 2 296.327 -1.220 20 0 CAADLO CNC(=O)CC(=O)N[C@@H]1C[N@H+](Cc2cncn2C)C[C@H]1O ZINC001192430115 781942405 /nfs/dbraw/zinc/94/24/05/781942405.db2.gz ZFZLONOKSRLLAP-GHMZBOCLSA-N 1 2 295.343 -1.783 20 0 CAADLO CNC(=O)CC(=O)N[C@@H]1C[N@@H+](Cc2cncn2C)C[C@H]1O ZINC001192430115 781942412 /nfs/dbraw/zinc/94/24/12/781942412.db2.gz ZFZLONOKSRLLAP-GHMZBOCLSA-N 1 2 295.343 -1.783 20 0 CAADLO CNC(=O)CC(=O)N[C@@H]1CN(Cc2c[nH+]cn2C)C[C@H]1O ZINC001192430115 781942420 /nfs/dbraw/zinc/94/24/20/781942420.db2.gz ZFZLONOKSRLLAP-GHMZBOCLSA-N 1 2 295.343 -1.783 20 0 CAADLO CNC(=O)CC(=O)N[C@@H]1C[N@H+](Cc2cc(C)no2)C[C@H]1O ZINC001192429949 781942635 /nfs/dbraw/zinc/94/26/35/781942635.db2.gz UQOHTJNITYXXBY-GHMZBOCLSA-N 1 2 296.327 -1.220 20 0 CAADLO CC(C)(C)OCC(=O)N[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@H]1O ZINC001192382669 781942598 /nfs/dbraw/zinc/94/25/98/781942598.db2.gz QQPMNVKOANTHNC-OUAUKWLOSA-N 1 2 299.371 -1.149 20 0 CAADLO CC(C)(C)OCC(=O)N[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@H]1O ZINC001192382669 781942606 /nfs/dbraw/zinc/94/26/06/781942606.db2.gz QQPMNVKOANTHNC-OUAUKWLOSA-N 1 2 299.371 -1.149 20 0 CAADLO CNC(=O)CC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@H]1O ZINC001192437360 781945427 /nfs/dbraw/zinc/94/54/27/781945427.db2.gz BCEPRVZJZUZBEX-IWSPIJDZSA-N 1 2 284.316 -2.828 20 0 CAADLO CNC(=O)CC(=O)N[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@H]1O ZINC001192437360 781945435 /nfs/dbraw/zinc/94/54/35/781945435.db2.gz BCEPRVZJZUZBEX-IWSPIJDZSA-N 1 2 284.316 -2.828 20 0 CAADLO C[C@H](NC(N)=O)C(=O)N[C@@H]1C[N@H+](C/C=C/Cl)C[C@H]1O ZINC001192445344 781946504 /nfs/dbraw/zinc/94/65/04/781946504.db2.gz VKRQKZMUTILIIP-NSVNRLROSA-N 1 2 290.751 -1.043 20 0 CAADLO C[C@H](NC(N)=O)C(=O)N[C@@H]1C[N@@H+](C/C=C/Cl)C[C@H]1O ZINC001192445344 781946507 /nfs/dbraw/zinc/94/65/07/781946507.db2.gz VKRQKZMUTILIIP-NSVNRLROSA-N 1 2 290.751 -1.043 20 0 CAADLO CNC(=O)CC(=O)N[C@@H]1C[N@H+](Cc2cnc(C)o2)C[C@H]1O ZINC001192463326 781947093 /nfs/dbraw/zinc/94/70/93/781947093.db2.gz SVFJNHLTOQXKME-GHMZBOCLSA-N 1 2 296.327 -1.220 20 0 CAADLO CNC(=O)CC(=O)N[C@@H]1C[N@@H+](Cc2cnc(C)o2)C[C@H]1O ZINC001192463326 781947104 /nfs/dbraw/zinc/94/71/04/781947104.db2.gz SVFJNHLTOQXKME-GHMZBOCLSA-N 1 2 296.327 -1.220 20 0 CAADLO [NH3+][C@@H]1NCN(C(=O)c2c(F)ccc(O)c2F)[C@H]2NCN[C@H]21 ZINC001192555967 781949595 /nfs/dbraw/zinc/94/95/95/781949595.db2.gz HNUVYSBRDOJHDY-HBNTYKKESA-N 1 2 299.281 -1.197 20 0 CAADLO CC(C)(O)CC(=O)N[C@@H]1C[N@H+](CC(=O)NC2CC2)C[C@H]1O ZINC001192570915 781949065 /nfs/dbraw/zinc/94/90/65/781949065.db2.gz GHDSYYROHYYMOO-GHMZBOCLSA-N 1 2 299.371 -1.413 20 0 CAADLO CC(C)(O)CC(=O)N[C@@H]1C[N@@H+](CC(=O)NC2CC2)C[C@H]1O ZINC001192570915 781949075 /nfs/dbraw/zinc/94/90/75/781949075.db2.gz GHDSYYROHYYMOO-GHMZBOCLSA-N 1 2 299.371 -1.413 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCn2ccnn2)C1 ZINC001192484993 781950177 /nfs/dbraw/zinc/95/01/77/781950177.db2.gz ULKRCJKHVFTHQB-OPRDCNLKSA-N 1 2 296.331 -2.297 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCn2ccnn2)C1 ZINC001192484993 781950189 /nfs/dbraw/zinc/95/01/89/781950189.db2.gz ULKRCJKHVFTHQB-OPRDCNLKSA-N 1 2 296.331 -2.297 20 0 CAADLO C[C@@H](C(N)=O)N1C[C@@H](O)[C@H](NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001192581057 781950275 /nfs/dbraw/zinc/95/02/75/781950275.db2.gz ROQYSXXDHXYTKL-IVZWLZJFSA-N 1 2 295.343 -1.623 20 0 CAADLO C[C@H](C(N)=O)N1C[C@@H](O)[C@H](NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001192581061 781950354 /nfs/dbraw/zinc/95/03/54/781950354.db2.gz ROQYSXXDHXYTKL-OPRDCNLKSA-N 1 2 295.343 -1.623 20 0 CAADLO CC(C)(O)CC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1O ZINC001192572035 781951320 /nfs/dbraw/zinc/95/13/20/781951320.db2.gz VEZZVEURGMSCEN-GHMZBOCLSA-N 1 2 299.371 -1.459 20 0 CAADLO CC(C)(O)CC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1O ZINC001192572035 781951329 /nfs/dbraw/zinc/95/13/29/781951329.db2.gz VEZZVEURGMSCEN-GHMZBOCLSA-N 1 2 299.371 -1.459 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC(C)(C)O)C1 ZINC001192607302 781951443 /nfs/dbraw/zinc/95/14/43/781951443.db2.gz LIXCPFBCCJYPEY-OPRDCNLKSA-N 1 2 287.360 -1.557 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CC(C)(C)O)C1 ZINC001192607302 781951450 /nfs/dbraw/zinc/95/14/50/781951450.db2.gz LIXCPFBCCJYPEY-OPRDCNLKSA-N 1 2 287.360 -1.557 20 0 CAADLO CC[C@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC(C)(C)O)C1 ZINC001192614997 781952644 /nfs/dbraw/zinc/95/26/44/781952644.db2.gz IFQPEQMRXKUVOZ-OPRDCNLKSA-N 1 2 287.360 -1.427 20 0 CAADLO CC[C@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)CC(C)(C)O)C1 ZINC001192614997 781952655 /nfs/dbraw/zinc/95/26/55/781952655.db2.gz IFQPEQMRXKUVOZ-OPRDCNLKSA-N 1 2 287.360 -1.427 20 0 CAADLO CNC(=O)NCCC(=O)N[C@@H]1C[N@H+](CCF)C[C@H]1O ZINC001192702335 781954149 /nfs/dbraw/zinc/95/41/49/781954149.db2.gz MEXXLJKUDBHYPL-RKDXNWHRSA-N 1 2 276.312 -1.564 20 0 CAADLO CNC(=O)NCCC(=O)N[C@@H]1C[N@@H+](CCF)C[C@H]1O ZINC001192702335 781954153 /nfs/dbraw/zinc/95/41/53/781954153.db2.gz MEXXLJKUDBHYPL-RKDXNWHRSA-N 1 2 276.312 -1.564 20 0 CAADLO [NH3+][C@@H]1NCN(C(=O)c2cc(O)cc(F)c2F)[C@H]2NCN[C@H]21 ZINC001192684748 781954368 /nfs/dbraw/zinc/95/43/68/781954368.db2.gz VLHDWIULYNUABG-HBNTYKKESA-N 1 2 299.281 -1.197 20 0 CAADLO [NH3+][C@@H]1NCN(C(=O)c2c(O)ccc(F)c2F)[C@@H]2NCN[C@@H]21 ZINC001192785144 781956595 /nfs/dbraw/zinc/95/65/95/781956595.db2.gz UHSJHPSRLAGTTO-MXWKQRLJSA-N 1 2 299.281 -1.197 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC2(O)CCC2)C1 ZINC001192785733 781956782 /nfs/dbraw/zinc/95/67/82/781956782.db2.gz WVHOPYUTPGTNHN-OPRDCNLKSA-N 1 2 285.344 -1.673 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)CC2(O)CCC2)C1 ZINC001192785733 781956787 /nfs/dbraw/zinc/95/67/87/781956787.db2.gz WVHOPYUTPGTNHN-OPRDCNLKSA-N 1 2 285.344 -1.673 20 0 CAADLO CCNC(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC2(O)CCC2)C1 ZINC001192796724 781956846 /nfs/dbraw/zinc/95/68/46/781956846.db2.gz DVGBBADIKHFMBW-GHMZBOCLSA-N 1 2 299.371 -1.411 20 0 CAADLO CCNC(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CC2(O)CCC2)C1 ZINC001192796724 781956849 /nfs/dbraw/zinc/95/68/49/781956849.db2.gz DVGBBADIKHFMBW-GHMZBOCLSA-N 1 2 299.371 -1.411 20 0 CAADLO CC[C@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC2(O)CCC2)C1 ZINC001192784316 781957337 /nfs/dbraw/zinc/95/73/37/781957337.db2.gz JENCTHDOTLPAON-GMTAPVOTSA-N 1 2 299.371 -1.283 20 0 CAADLO CC[C@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)CC2(O)CCC2)C1 ZINC001192784316 781957350 /nfs/dbraw/zinc/95/73/50/781957350.db2.gz JENCTHDOTLPAON-GMTAPVOTSA-N 1 2 299.371 -1.283 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCOCC2CC2)C1 ZINC001192942634 781958132 /nfs/dbraw/zinc/95/81/32/781958132.db2.gz DEHVACLIEFNHRM-YUSALJHKSA-N 1 2 299.371 -1.162 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCOCC2CC2)C1 ZINC001192942634 781958125 /nfs/dbraw/zinc/95/81/25/781958125.db2.gz DEHVACLIEFNHRM-YUSALJHKSA-N 1 2 299.371 -1.162 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCOCC2CC2)C1 ZINC001192942550 781958351 /nfs/dbraw/zinc/95/83/51/781958351.db2.gz DEHVACLIEFNHRM-MVWJERBFSA-N 1 2 299.371 -1.162 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCOCC2CC2)C1 ZINC001192942550 781958356 /nfs/dbraw/zinc/95/83/56/781958356.db2.gz DEHVACLIEFNHRM-MVWJERBFSA-N 1 2 299.371 -1.162 20 0 CAADLO O=C(Cn1cncn1)N(CCO)CC[NH+]1CCOCC1 ZINC000677444139 545605223 /nfs/dbraw/zinc/60/52/23/545605223.db2.gz XRORHPMHQSXEAP-UHFFFAOYSA-N 1 2 283.332 -1.569 20 0 CAADLO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)N=c1nc[nH]n1C ZINC000677797910 545605656 /nfs/dbraw/zinc/60/56/56/545605656.db2.gz KIKRZRLVJJYZRH-JTQLQIEISA-N 1 2 281.364 -1.006 20 0 CAADLO CCC(=O)N[C@@H](C)C(=O)NCCC[N@@H+]1CCNC(=O)C1 ZINC000677932055 545605768 /nfs/dbraw/zinc/60/57/68/545605768.db2.gz YFTDPEJVMFHAKA-JTQLQIEISA-N 1 2 284.360 -1.161 20 0 CAADLO CCC(=O)N[C@@H](C)C(=O)NCCC[N@H+]1CCNC(=O)C1 ZINC000677932055 545605770 /nfs/dbraw/zinc/60/57/70/545605770.db2.gz YFTDPEJVMFHAKA-JTQLQIEISA-N 1 2 284.360 -1.161 20 0 CAADLO C[C@H](NC(=O)C[N@@H+]1CCNC(=O)C[C@H]1C)C(=O)N(C)C ZINC000677715492 545605784 /nfs/dbraw/zinc/60/57/84/545605784.db2.gz MZAIRNGYEINHDG-ZJUUUORDSA-N 1 2 284.360 -1.210 20 0 CAADLO C[C@H](NC(=O)C[N@H+]1CCNC(=O)C[C@H]1C)C(=O)N(C)C ZINC000677715492 545605790 /nfs/dbraw/zinc/60/57/90/545605790.db2.gz MZAIRNGYEINHDG-ZJUUUORDSA-N 1 2 284.360 -1.210 20 0 CAADLO C[C@H]1CC(=O)NCC[N@@H+]1CC(=O)N1CCNC1=O ZINC000677715349 545606340 /nfs/dbraw/zinc/60/63/40/545606340.db2.gz KSKDSBMEBBDPCH-QMMMGPOBSA-N 1 2 254.290 -1.251 20 0 CAADLO C[C@H]1CC(=O)NCC[N@H+]1CC(=O)N1CCNC1=O ZINC000677715349 545606341 /nfs/dbraw/zinc/60/63/41/545606341.db2.gz KSKDSBMEBBDPCH-QMMMGPOBSA-N 1 2 254.290 -1.251 20 0 CAADLO CNC(=O)NCC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000677742454 545606375 /nfs/dbraw/zinc/60/63/75/545606375.db2.gz JCMGBVNITIESKD-SNVBAGLBSA-N 1 2 270.333 -1.152 20 0 CAADLO CNC(=O)C1(C(=O)NCCC[N@@H+]2CCNC(=O)C2)CCC1 ZINC000677931798 545606109 /nfs/dbraw/zinc/60/61/09/545606109.db2.gz VJRNSDJHYYREOR-UHFFFAOYSA-N 1 2 296.371 -1.159 20 0 CAADLO CNC(=O)C1(C(=O)NCCC[N@H+]2CCNC(=O)C2)CCC1 ZINC000677931798 545606116 /nfs/dbraw/zinc/60/61/16/545606116.db2.gz VJRNSDJHYYREOR-UHFFFAOYSA-N 1 2 296.371 -1.159 20 0 CAADLO CC(=O)N1CCN(C(=O)C[N@H+]2CCNC(=O)C[C@@H]2C)CC1 ZINC000677715382 545606169 /nfs/dbraw/zinc/60/61/69/545606169.db2.gz YQOGNAFJNSUODJ-NSHDSACASA-N 1 2 296.371 -1.113 20 0 CAADLO CC(=O)N1CCN(C(=O)C[N@@H+]2CCNC(=O)C[C@@H]2C)CC1 ZINC000677715382 545606172 /nfs/dbraw/zinc/60/61/72/545606172.db2.gz YQOGNAFJNSUODJ-NSHDSACASA-N 1 2 296.371 -1.113 20 0 CAADLO O=C(NCCCc1n[nH]c(=O)[nH]1)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000677903851 545606424 /nfs/dbraw/zinc/60/64/24/545606424.db2.gz YOOUMMMLUVNZKW-SNVBAGLBSA-N 1 2 294.359 -1.051 20 0 CAADLO CCC(=O)N[C@H](C)C(=O)NCCC[N@@H+]1CCNC(=O)C1 ZINC000677932059 545606531 /nfs/dbraw/zinc/60/65/31/545606531.db2.gz YFTDPEJVMFHAKA-SNVBAGLBSA-N 1 2 284.360 -1.161 20 0 CAADLO O=C(NCCCc1n[nH]c(=O)[nH]1)[C@H]1C[N@H+]2CCN1CCC2 ZINC000677903851 545606427 /nfs/dbraw/zinc/60/64/27/545606427.db2.gz YOOUMMMLUVNZKW-SNVBAGLBSA-N 1 2 294.359 -1.051 20 0 CAADLO CCC(=O)N[C@H](C)C(=O)NCCC[N@H+]1CCNC(=O)C1 ZINC000677932059 545606533 /nfs/dbraw/zinc/60/65/33/545606533.db2.gz YFTDPEJVMFHAKA-SNVBAGLBSA-N 1 2 284.360 -1.161 20 0 CAADLO COC(=O)[C@@H]1CNC(=O)CN1CC[N@@H+]1CCOC[C@@H]1C ZINC000337233756 284129382 /nfs/dbraw/zinc/12/93/82/284129382.db2.gz KPSANABDCCRWFA-QWRGUYRKSA-N 1 2 285.344 -1.320 20 0 CAADLO COC(=O)[C@@H]1CNC(=O)CN1CC[N@H+]1CCOC[C@@H]1C ZINC000337233756 284129383 /nfs/dbraw/zinc/12/93/83/284129383.db2.gz KPSANABDCCRWFA-QWRGUYRKSA-N 1 2 285.344 -1.320 20 0 CAADLO COC(=O)[C@@H]1CNC(=O)CN1CCn1cc[nH+]c1 ZINC000447921970 284129738 /nfs/dbraw/zinc/12/97/38/284129738.db2.gz NFILXNZITLFCHJ-VIFPVBQESA-N 1 2 252.274 -1.144 20 0 CAADLO COC(=O)[C@@H]1C[C@@H](O)CN1CC[NH+]1CCOCC1 ZINC000163780536 284152827 /nfs/dbraw/zinc/15/28/27/284152827.db2.gz YPNPXWUCZMPIMD-MNOVXSKESA-N 1 2 258.318 -1.073 20 0 CAADLO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+]1CCN1CCOCC1 ZINC000163780536 284152829 /nfs/dbraw/zinc/15/28/29/284152829.db2.gz YPNPXWUCZMPIMD-MNOVXSKESA-N 1 2 258.318 -1.073 20 0 CAADLO COC(=O)[C@@H]1C[C@@H](O)C[N@H+]1CCN1CCOCC1 ZINC000163780536 284152830 /nfs/dbraw/zinc/15/28/30/284152830.db2.gz YPNPXWUCZMPIMD-MNOVXSKESA-N 1 2 258.318 -1.073 20 0 CAADLO COC(=O)[C@@H]1C[C@@H](OC)C[N@H+]1CCC(=O)NC(N)=O ZINC000369382053 284156821 /nfs/dbraw/zinc/15/68/21/284156821.db2.gz VOPPQRKORCDTJC-SFYZADRCSA-N 1 2 273.289 -1.166 20 0 CAADLO COC(=O)[C@@H]1C[C@@H](OC)C[N@@H+]1CCC(=O)NC(N)=O ZINC000369382053 284156822 /nfs/dbraw/zinc/15/68/22/284156822.db2.gz VOPPQRKORCDTJC-SFYZADRCSA-N 1 2 273.289 -1.166 20 0 CAADLO COC(=O)[C@@H]1C[C@H](OC)C[N@H+]1CCC(=O)NC(N)=O ZINC000369382054 284185119 /nfs/dbraw/zinc/18/51/19/284185119.db2.gz VOPPQRKORCDTJC-YUMQZZPRSA-N 1 2 273.289 -1.166 20 0 CAADLO COC(=O)[C@@H]1C[C@H](OC)C[N@@H+]1CCC(=O)NC(N)=O ZINC000369382054 284185121 /nfs/dbraw/zinc/18/51/21/284185121.db2.gz VOPPQRKORCDTJC-YUMQZZPRSA-N 1 2 273.289 -1.166 20 0 CAADLO COC(=O)[C@@H]1COCCN1C[C@@H](O)C[NH+]1CCOCC1 ZINC000330366682 291494491 /nfs/dbraw/zinc/49/44/91/291494491.db2.gz YIKWGNIFMAPDCY-RYUDHWBXSA-N 1 2 288.344 -1.447 20 0 CAADLO CC1(C(N)=O)C[NH+](CC(=O)NC(=O)NC2CC2)C1 ZINC000574397094 335016030 /nfs/dbraw/zinc/01/60/30/335016030.db2.gz NZLHZOBPVRURDS-UHFFFAOYSA-N 1 2 254.290 -1.218 20 0 CAADLO C[C@H]1C[N@H+](CCNC(=O)CN2CC(=O)N(C)C2=O)CCO1 ZINC000625023499 372788343 /nfs/dbraw/zinc/78/83/43/372788343.db2.gz BBHIYEWCXXHZGC-JTQLQIEISA-N 1 2 298.343 -1.283 20 0 CAADLO C[C@H]1C[N@@H+](CCNC(=O)CN2CC(=O)N(C)C2=O)CCO1 ZINC000625023499 372788353 /nfs/dbraw/zinc/78/83/53/372788353.db2.gz BBHIYEWCXXHZGC-JTQLQIEISA-N 1 2 298.343 -1.283 20 0 CAADLO CN(CC[NH+]1CCOCC1)C(=O)CN1CC(=O)N(C)C1=O ZINC000625137355 372792002 /nfs/dbraw/zinc/79/20/02/372792002.db2.gz AWUBYPCGTLKRNX-UHFFFAOYSA-N 1 2 298.343 -1.329 20 0 CAADLO COC[C@H](CCO)NS(=O)(=O)C[C@@H]1C[N@H+](C)CCO1 ZINC000632149164 372793044 /nfs/dbraw/zinc/79/30/44/372793044.db2.gz NYRGVZVAYGYMHE-QWRGUYRKSA-N 1 2 296.389 -1.366 20 0 CAADLO COC[C@H](CCO)NS(=O)(=O)C[C@@H]1C[N@@H+](C)CCO1 ZINC000632149164 372793052 /nfs/dbraw/zinc/79/30/52/372793052.db2.gz NYRGVZVAYGYMHE-QWRGUYRKSA-N 1 2 296.389 -1.366 20 0 CAADLO CC[N@H+](CC(=O)N(C)C)Cc1cc(=O)n(C)c(=O)n1C ZINC000079867625 372794603 /nfs/dbraw/zinc/79/46/03/372794603.db2.gz INSUIUCMPVOPGP-UHFFFAOYSA-N 1 2 282.344 -1.006 20 0 CAADLO CC[N@@H+](CC(=O)N(C)C)Cc1cc(=O)n(C)c(=O)n1C ZINC000079867625 372794608 /nfs/dbraw/zinc/79/46/08/372794608.db2.gz INSUIUCMPVOPGP-UHFFFAOYSA-N 1 2 282.344 -1.006 20 0 CAADLO O=C1NC[C@@H]2C[N@H+](C[C@@H](O)CC3(O)CCC3)CCN2C1=O ZINC000625225544 372794843 /nfs/dbraw/zinc/79/48/43/372794843.db2.gz QLVUFCNPSSPLJX-MNOVXSKESA-N 1 2 297.355 -1.705 20 0 CAADLO O=C1NC[C@@H]2C[N@@H+](C[C@@H](O)CC3(O)CCC3)CCN2C1=O ZINC000625225544 372794854 /nfs/dbraw/zinc/79/48/54/372794854.db2.gz QLVUFCNPSSPLJX-MNOVXSKESA-N 1 2 297.355 -1.705 20 0 CAADLO CNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000268492072 372779049 /nfs/dbraw/zinc/77/90/49/372779049.db2.gz VIANQUOXDZXPFM-GJMOJQLCSA-N 1 2 272.305 -1.595 20 0 CAADLO CNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000268492072 372779060 /nfs/dbraw/zinc/77/90/60/372779060.db2.gz VIANQUOXDZXPFM-GJMOJQLCSA-N 1 2 272.305 -1.595 20 0 CAADLO CO[C@H]1C[C@H](Nc2nc(NCCO)[nH+]c(NC(C)C)n2)C1 ZINC000624730580 372781053 /nfs/dbraw/zinc/78/10/53/372781053.db2.gz ISFRRUSARZMLQI-MGCOHNPYSA-N 1 2 296.375 -1.049 20 0 CAADLO CO[C@H]1C[C@H](Nc2nc(NC(C)C)nc(NCCO)[nH+]2)C1 ZINC000624730580 372781068 /nfs/dbraw/zinc/78/10/68/372781068.db2.gz ISFRRUSARZMLQI-MGCOHNPYSA-N 1 2 296.375 -1.049 20 0 CAADLO CO[C@H]1C[C@H](Nc2nc(NCCO)nc(NC(C)C)[nH+]2)C1 ZINC000624730580 372781075 /nfs/dbraw/zinc/78/10/75/372781075.db2.gz ISFRRUSARZMLQI-MGCOHNPYSA-N 1 2 296.375 -1.049 20 0 CAADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)NCCN1CCNC(=O)C1 ZINC000624727385 372781721 /nfs/dbraw/zinc/78/17/21/372781721.db2.gz ACBAQCCRWQVYBN-NSHDSACASA-N 1 2 299.375 -1.952 20 0 CAADLO C[N@H+]1CCOC[C@@H]1CNC(=O)NCCN1CCNC(=O)C1 ZINC000624727385 372781730 /nfs/dbraw/zinc/78/17/30/372781730.db2.gz ACBAQCCRWQVYBN-NSHDSACASA-N 1 2 299.375 -1.952 20 0 CAADLO COC[C@H](O)CNC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000624729835 372782186 /nfs/dbraw/zinc/78/21/86/372782186.db2.gz FCHDHOKCAUEQGK-NXEZZACHSA-N 1 2 261.322 -1.377 20 0 CAADLO COC[C@H](O)CNC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000624729835 372782198 /nfs/dbraw/zinc/78/21/98/372782198.db2.gz FCHDHOKCAUEQGK-NXEZZACHSA-N 1 2 261.322 -1.377 20 0 CAADLO CN1CCN(C(=O)NC[C@@H]2COCC[N@@H+]2C)CC1=O ZINC000624728019 372782857 /nfs/dbraw/zinc/78/28/57/372782857.db2.gz VNZZZBCJAVAIRW-SNVBAGLBSA-N 1 2 270.333 -1.199 20 0 CAADLO CN1CCN(C(=O)NC[C@@H]2COCC[N@H+]2C)CC1=O ZINC000624728019 372782864 /nfs/dbraw/zinc/78/28/64/372782864.db2.gz VNZZZBCJAVAIRW-SNVBAGLBSA-N 1 2 270.333 -1.199 20 0 CAADLO C[C@H](CNC(=O)NC[C@H]1COCC[N@@H+]1C)S(N)(=O)=O ZINC000624738767 372784492 /nfs/dbraw/zinc/78/44/92/372784492.db2.gz OONJKTKCIAMBRB-BDAKNGLRSA-N 1 2 294.377 -1.707 20 0 CAADLO C[C@H](CNC(=O)NC[C@H]1COCC[N@H+]1C)S(N)(=O)=O ZINC000624738767 372784498 /nfs/dbraw/zinc/78/44/98/372784498.db2.gz OONJKTKCIAMBRB-BDAKNGLRSA-N 1 2 294.377 -1.707 20 0 CAADLO COC[C@@H](CO)NC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000624740290 372784638 /nfs/dbraw/zinc/78/46/38/372784638.db2.gz UYPUBPNQYMZVMH-NXEZZACHSA-N 1 2 261.322 -1.377 20 0 CAADLO COC[C@@H](CO)NC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000624740290 372784644 /nfs/dbraw/zinc/78/46/44/372784644.db2.gz UYPUBPNQYMZVMH-NXEZZACHSA-N 1 2 261.322 -1.377 20 0 CAADLO O=C1NC[C@H]2C[N@H+](C[C@H](O)CC3(O)CCC3)CCN2C1=O ZINC000625225547 372795579 /nfs/dbraw/zinc/79/55/79/372795579.db2.gz QLVUFCNPSSPLJX-WDEREUQCSA-N 1 2 297.355 -1.705 20 0 CAADLO O=C1NC[C@H]2C[N@@H+](C[C@H](O)CC3(O)CCC3)CCN2C1=O ZINC000625225547 372795585 /nfs/dbraw/zinc/79/55/85/372795585.db2.gz QLVUFCNPSSPLJX-WDEREUQCSA-N 1 2 297.355 -1.705 20 0 CAADLO CNC(=O)[C@H](C)NC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000624737516 372785218 /nfs/dbraw/zinc/78/52/18/372785218.db2.gz XZQIPLDRIQRVNU-DTWKUNHWSA-N 1 2 258.322 -1.249 20 0 CAADLO CNC(=O)[C@H](C)NC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000624737516 372785227 /nfs/dbraw/zinc/78/52/27/372785227.db2.gz XZQIPLDRIQRVNU-DTWKUNHWSA-N 1 2 258.322 -1.249 20 0 CAADLO CNC(=O)[C@H](C)NC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000624737526 372785696 /nfs/dbraw/zinc/78/56/96/372785696.db2.gz XZQIPLDRIQRVNU-IUCAKERBSA-N 1 2 258.322 -1.249 20 0 CAADLO CNC(=O)[C@H](C)NC(=O)NC[C@H]1COCC[N@H+]1C ZINC000624737526 372785699 /nfs/dbraw/zinc/78/56/99/372785699.db2.gz XZQIPLDRIQRVNU-IUCAKERBSA-N 1 2 258.322 -1.249 20 0 CAADLO C[C@@H]1C[N@H+](CCNC(=O)CN2CC(=O)N(C)C2=O)CCO1 ZINC000625023503 372786980 /nfs/dbraw/zinc/78/69/80/372786980.db2.gz BBHIYEWCXXHZGC-SNVBAGLBSA-N 1 2 298.343 -1.283 20 0 CAADLO C[C@@H]1C[N@@H+](CCNC(=O)CN2CC(=O)N(C)C2=O)CCO1 ZINC000625023503 372786986 /nfs/dbraw/zinc/78/69/86/372786986.db2.gz BBHIYEWCXXHZGC-SNVBAGLBSA-N 1 2 298.343 -1.283 20 0 CAADLO COCCNC(=O)C1(NC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000622697881 372801114 /nfs/dbraw/zinc/80/11/14/372801114.db2.gz VOLLHSPJCMIZBM-JTQLQIEISA-N 1 2 285.344 -1.272 20 0 CAADLO COCCNC(=O)C1(NC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000622697881 372801122 /nfs/dbraw/zinc/80/11/22/372801122.db2.gz VOLLHSPJCMIZBM-JTQLQIEISA-N 1 2 285.344 -1.272 20 0 CAADLO CS(=O)(=O)NC1C[NH+](C[C@H](O)CC2(O)CCC2)C1 ZINC000634650245 372802826 /nfs/dbraw/zinc/80/28/26/372802826.db2.gz GYVMDORTWZIYAD-SNVBAGLBSA-N 1 2 278.374 -1.114 20 0 CAADLO COC[C@H](C)OC[C@@H](O)C[NH+]1CC(NS(C)(=O)=O)C1 ZINC000634650480 372802881 /nfs/dbraw/zinc/80/28/81/372802881.db2.gz MOFXDAZTUVLGRQ-ONGXEEELSA-N 1 2 296.389 -1.368 20 0 CAADLO COC[C@@H](C)OC[C@@H](O)C[NH+]1CC(NS(C)(=O)=O)C1 ZINC000634650478 372802953 /nfs/dbraw/zinc/80/29/53/372802953.db2.gz MOFXDAZTUVLGRQ-KOLCDFICSA-N 1 2 296.389 -1.368 20 0 CAADLO COCCOC[C@H](O)C[NH+]1CC(NS(C)(=O)=O)C1 ZINC000634650552 372803173 /nfs/dbraw/zinc/80/31/73/372803173.db2.gz OQKCPVMPYIRUAU-SNVBAGLBSA-N 1 2 282.362 -1.756 20 0 CAADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)CN1CC(=O)N(C)C1=O ZINC000625261829 372804366 /nfs/dbraw/zinc/80/43/66/372804366.db2.gz HOLNPPGTYKDWSZ-SNVBAGLBSA-N 1 2 298.343 -1.283 20 0 CAADLO C[C@@H]1COCC[N@H+]1CCNC(=O)CN1CC(=O)N(C)C1=O ZINC000625261829 372804374 /nfs/dbraw/zinc/80/43/74/372804374.db2.gz HOLNPPGTYKDWSZ-SNVBAGLBSA-N 1 2 298.343 -1.283 20 0 CAADLO C[C@H]1COCC[N@@H+]1CCNC(=O)CN1CC(=O)N(C)C1=O ZINC000625261825 372806219 /nfs/dbraw/zinc/80/62/19/372806219.db2.gz HOLNPPGTYKDWSZ-JTQLQIEISA-N 1 2 298.343 -1.283 20 0 CAADLO C[C@H]1COCC[N@H+]1CCNC(=O)CN1CC(=O)N(C)C1=O ZINC000625261825 372806222 /nfs/dbraw/zinc/80/62/22/372806222.db2.gz HOLNPPGTYKDWSZ-JTQLQIEISA-N 1 2 298.343 -1.283 20 0 CAADLO Cn1cc(CC[NH+]2CCN(C(=O)CO)CC2)nn1 ZINC000625267958 372807982 /nfs/dbraw/zinc/80/79/82/372807982.db2.gz VDQRIFCBVLWBPM-UHFFFAOYSA-N 1 2 253.306 -1.506 20 0 CAADLO O=S(=O)(NCCN1CC[NH2+]CC1)NCC(F)(F)F ZINC000126169569 372808750 /nfs/dbraw/zinc/80/87/50/372808750.db2.gz JDOWRYGJNSRWCN-UHFFFAOYSA-N 1 2 290.311 -1.122 20 0 CAADLO NC(=O)[C@H]1CCC[C@@H](NC(=O)CN2CC[NH2+]CC2=O)C1 ZINC000237929832 372810408 /nfs/dbraw/zinc/81/04/08/372810408.db2.gz VGLVMPYFFISDKV-VHSXEESVSA-N 1 2 282.344 -1.422 20 0 CAADLO NC(=O)[C@H]1CCC[C@H](NC(=O)CN2CC[NH2+]CC2=O)C1 ZINC000237930610 372810553 /nfs/dbraw/zinc/81/05/53/372810553.db2.gz VGLVMPYFFISDKV-UWVGGRQHSA-N 1 2 282.344 -1.422 20 0 CAADLO O=C(CN1CCNCC1=O)NCCCn1cc[nH+]c1 ZINC000238106625 372812747 /nfs/dbraw/zinc/81/27/47/372812747.db2.gz MCJUODBDGJAVLT-UHFFFAOYSA-N 1 2 265.317 -1.179 20 0 CAADLO COCCOCC[NH+]1CCN(C(=O)[C@H]2CC(=O)N2)CC1 ZINC000616580251 372832566 /nfs/dbraw/zinc/83/25/66/372832566.db2.gz ZMWWRZJVDLTDMF-LLVKDONJSA-N 1 2 285.344 -1.318 20 0 CAADLO Nc1nc(N2CCN(Cc3nnc[nH]3)CC2)nc(N)[nH+]1 ZINC000624352368 372855158 /nfs/dbraw/zinc/85/51/58/372855158.db2.gz VEYSZKRQCXYIKU-UHFFFAOYSA-N 1 2 276.308 -1.863 20 0 CAADLO Nc1nc(N)nc(CN2CC[NH+](Cc3cn[nH]c3)CC2)n1 ZINC000625478807 372863134 /nfs/dbraw/zinc/86/31/34/372863134.db2.gz GOMPKIDTXKICJJ-UHFFFAOYSA-N 1 2 289.347 -1.262 20 0 CAADLO CS(=O)(=O)NCC[N@@H+]1CCC[C@@H]1CS(N)(=O)=O ZINC000407950045 372866314 /nfs/dbraw/zinc/86/63/14/372866314.db2.gz SWPNCDVGEGDCMN-MRVPVSSYSA-N 1 2 285.391 -1.712 20 0 CAADLO CS(=O)(=O)NCC[N@H+]1CCC[C@@H]1CS(N)(=O)=O ZINC000407950045 372866325 /nfs/dbraw/zinc/86/63/25/372866325.db2.gz SWPNCDVGEGDCMN-MRVPVSSYSA-N 1 2 285.391 -1.712 20 0 CAADLO Cn1c(=O)cc(NC[C@H]2COCC[N@@H+]2C)n(C)c1=O ZINC000624622379 372873267 /nfs/dbraw/zinc/87/32/67/372873267.db2.gz XUXWOSXZGASMEQ-VIFPVBQESA-N 1 2 268.317 -1.174 20 0 CAADLO Cn1c(=O)cc(NC[C@H]2COCC[N@H+]2C)n(C)c1=O ZINC000624622379 372873274 /nfs/dbraw/zinc/87/32/74/372873274.db2.gz XUXWOSXZGASMEQ-VIFPVBQESA-N 1 2 268.317 -1.174 20 0 CAADLO C[NH+]1CCN(C(=O)C(=O)N2CCO[C@@H](CC(N)=O)C2)CC1 ZINC000625779147 372873440 /nfs/dbraw/zinc/87/34/40/372873440.db2.gz MFJWKAXAVGOJDP-JTQLQIEISA-N 1 2 298.343 -2.137 20 0 CAADLO O=C(CN1CCc2[nH+]c[nH]c2C1)N1CCNC(=O)C1 ZINC000625441136 372857380 /nfs/dbraw/zinc/85/73/80/372857380.db2.gz XVCJAVXVTOGJQR-UHFFFAOYSA-N 1 2 263.301 -1.274 20 0 CAADLO CCS(=O)(=O)C1(CNc2nc(N)nc(N)[nH+]2)CC1 ZINC000624408484 372858589 /nfs/dbraw/zinc/85/85/89/372858589.db2.gz VLYMOVWORZADAH-UHFFFAOYSA-N 1 2 272.334 -1.502 20 0 CAADLO O=C(CN1CC[NH2+]CC1=O)N1C[C@@H]2COC[C@@H]2C1 ZINC000634774133 372890879 /nfs/dbraw/zinc/89/08/79/372890879.db2.gz DCGIECSDSHHISY-AOOOYVTPSA-N 1 2 253.302 -1.477 20 0 CAADLO CO[C@@H]1CN(S(=O)(=O)C[C@H]2C[N@H+](C)CCO2)CCO1 ZINC000632260663 372881126 /nfs/dbraw/zinc/88/11/26/372881126.db2.gz RXXILFFWHQAQHV-MNOVXSKESA-N 1 2 294.373 -1.049 20 0 CAADLO CO[C@@H]1CN(S(=O)(=O)C[C@H]2C[N@@H+](C)CCO2)CCO1 ZINC000632260663 372881135 /nfs/dbraw/zinc/88/11/35/372881135.db2.gz RXXILFFWHQAQHV-MNOVXSKESA-N 1 2 294.373 -1.049 20 0 CAADLO CO[C@H]1CN(S(=O)(=O)C[C@@H]2C[N@H+](C)CCO2)CCO1 ZINC000632260665 372881907 /nfs/dbraw/zinc/88/19/07/372881907.db2.gz RXXILFFWHQAQHV-WDEREUQCSA-N 1 2 294.373 -1.049 20 0 CAADLO CO[C@H]1CN(S(=O)(=O)C[C@@H]2C[N@@H+](C)CCO2)CCO1 ZINC000632260665 372881915 /nfs/dbraw/zinc/88/19/15/372881915.db2.gz RXXILFFWHQAQHV-WDEREUQCSA-N 1 2 294.373 -1.049 20 0 CAADLO O=C(CNC(=O)c1cocn1)NCC[NH+]1CCOCC1 ZINC000600492624 372884140 /nfs/dbraw/zinc/88/41/40/372884140.db2.gz OZCUAAONKJKVJH-UHFFFAOYSA-N 1 2 282.300 -1.147 20 0 CAADLO CC(=O)[C@](C)(O)C[N@@H+]1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC000408199727 372885177 /nfs/dbraw/zinc/88/51/77/372885177.db2.gz WCPPDRVXEQNUOW-BXKDBHETSA-N 1 2 269.301 -2.031 20 0 CAADLO CC(=O)[C@](C)(O)C[N@H+]1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC000408199727 372885184 /nfs/dbraw/zinc/88/51/84/372885184.db2.gz WCPPDRVXEQNUOW-BXKDBHETSA-N 1 2 269.301 -2.031 20 0 CAADLO C[C@H](C(=O)NC1CC1)[NH+]1CCN(c2nnnn2C)CC1 ZINC000518595248 372886944 /nfs/dbraw/zinc/88/69/44/372886944.db2.gz QWFNHYCTXWJYPR-SECBINFHSA-N 1 2 279.348 -1.001 20 0 CAADLO COC(=O)c1cn([C@@H]2CC[N@@H+]([C@@H]3CC(=O)NC3=O)C2)nn1 ZINC000518558605 372887308 /nfs/dbraw/zinc/88/73/08/372887308.db2.gz ZWHASBUAFYWPGX-VXNVDRBHSA-N 1 2 293.283 -1.273 20 0 CAADLO COC(=O)c1cn([C@@H]2CC[N@H+]([C@@H]3CC(=O)NC3=O)C2)nn1 ZINC000518558605 372887316 /nfs/dbraw/zinc/88/73/16/372887316.db2.gz ZWHASBUAFYWPGX-VXNVDRBHSA-N 1 2 293.283 -1.273 20 0 CAADLO COC(=O)c1cn([C@@H]2CC[N@@H+]([C@H]3CC(=O)NC3=O)C2)nn1 ZINC000518558602 372887585 /nfs/dbraw/zinc/88/75/85/372887585.db2.gz ZWHASBUAFYWPGX-APPZFPTMSA-N 1 2 293.283 -1.273 20 0 CAADLO COC(=O)c1cn([C@@H]2CC[N@H+]([C@H]3CC(=O)NC3=O)C2)nn1 ZINC000518558602 372887591 /nfs/dbraw/zinc/88/75/91/372887591.db2.gz ZWHASBUAFYWPGX-APPZFPTMSA-N 1 2 293.283 -1.273 20 0 CAADLO COCC[N@H+](CC(=O)N1CCOCC1)[C@@H](C)C(N)=O ZINC000358354594 372905719 /nfs/dbraw/zinc/90/57/19/372905719.db2.gz LXZQOOMHMQZQEE-JTQLQIEISA-N 1 2 273.333 -1.333 20 0 CAADLO COCC[N@@H+](CC(=O)N1CCOCC1)[C@@H](C)C(N)=O ZINC000358354594 372905730 /nfs/dbraw/zinc/90/57/30/372905730.db2.gz LXZQOOMHMQZQEE-JTQLQIEISA-N 1 2 273.333 -1.333 20 0 CAADLO C[C@H](CN(C)c1nc(N)nc(N)[nH+]1)c1nn[nH]n1 ZINC000624100149 372906701 /nfs/dbraw/zinc/90/67/01/372906701.db2.gz LBLGGUCXFGXBNV-SCSAIBSYSA-N 1 2 250.270 -1.550 20 0 CAADLO CN(C(=O)C[NH+]1CCC(NS(N)(=O)=O)CC1)C1CC1 ZINC000626034084 372915859 /nfs/dbraw/zinc/91/58/59/372915859.db2.gz NKZPURPUEOGRNB-UHFFFAOYSA-N 1 2 290.389 -1.135 20 0 CAADLO CN(C)S(=O)(=O)CCC[N@@H+]1CCO[C@H](CC(N)=O)C1 ZINC000626081053 372919274 /nfs/dbraw/zinc/91/92/74/372919274.db2.gz WWEPTNBAQSLBPO-SNVBAGLBSA-N 1 2 293.389 -1.156 20 0 CAADLO CN(C)S(=O)(=O)CCC[N@H+]1CCO[C@H](CC(N)=O)C1 ZINC000626081053 372919282 /nfs/dbraw/zinc/91/92/82/372919282.db2.gz WWEPTNBAQSLBPO-SNVBAGLBSA-N 1 2 293.389 -1.156 20 0 CAADLO CN(C)C(=O)CC[N@@H+]1CCOC[C@H]1CNS(C)(=O)=O ZINC000626094670 372920088 /nfs/dbraw/zinc/92/00/88/372920088.db2.gz GEDNPDPYRLEUBK-SNVBAGLBSA-N 1 2 293.389 -1.285 20 0 CAADLO CN(C)C(=O)CC[N@H+]1CCOC[C@H]1CNS(C)(=O)=O ZINC000626094670 372920097 /nfs/dbraw/zinc/92/00/97/372920097.db2.gz GEDNPDPYRLEUBK-SNVBAGLBSA-N 1 2 293.389 -1.285 20 0 CAADLO C[C@H](CO)C[N@@H+]1CCOC[C@H]1CNS(C)(=O)=O ZINC000626097284 372920157 /nfs/dbraw/zinc/92/01/57/372920157.db2.gz PATDQUIZPFILCN-VHSXEESVSA-N 1 2 266.363 -1.135 20 0 CAADLO C[C@H](CO)C[N@H+]1CCOC[C@H]1CNS(C)(=O)=O ZINC000626097284 372920164 /nfs/dbraw/zinc/92/01/64/372920164.db2.gz PATDQUIZPFILCN-VHSXEESVSA-N 1 2 266.363 -1.135 20 0 CAADLO CN(C)C(=O)CC[N@@H+]1CCOC[C@@H]1CNS(C)(=O)=O ZINC000626094669 372920872 /nfs/dbraw/zinc/92/08/72/372920872.db2.gz GEDNPDPYRLEUBK-JTQLQIEISA-N 1 2 293.389 -1.285 20 0 CAADLO CN(C)C(=O)CC[N@H+]1CCOC[C@@H]1CNS(C)(=O)=O ZINC000626094669 372920879 /nfs/dbraw/zinc/92/08/79/372920879.db2.gz GEDNPDPYRLEUBK-JTQLQIEISA-N 1 2 293.389 -1.285 20 0 CAADLO CNC(=O)CC[N@@H+]1CCOC[C@@H]1CNS(C)(=O)=O ZINC000626095462 372921206 /nfs/dbraw/zinc/92/12/06/372921206.db2.gz ZPBWUKFUJFSXFD-VIFPVBQESA-N 1 2 279.362 -1.628 20 0 CAADLO CNC(=O)CC[N@H+]1CCOC[C@@H]1CNS(C)(=O)=O ZINC000626095462 372921217 /nfs/dbraw/zinc/92/12/17/372921217.db2.gz ZPBWUKFUJFSXFD-VIFPVBQESA-N 1 2 279.362 -1.628 20 0 CAADLO CCC(=O)N1CCC[N@H+](CC(=O)N2CCNC(=O)C2)CC1 ZINC000077388639 372922686 /nfs/dbraw/zinc/92/26/86/372922686.db2.gz DHUMMFFXQZHLKT-UHFFFAOYSA-N 1 2 296.371 -1.111 20 0 CAADLO CCC(=O)N1CCC[N@@H+](CC(=O)N2CCNC(=O)C2)CC1 ZINC000077388639 372922691 /nfs/dbraw/zinc/92/26/91/372922691.db2.gz DHUMMFFXQZHLKT-UHFFFAOYSA-N 1 2 296.371 -1.111 20 0 CAADLO CNC(=O)NC(=O)C[N@@H+]1CCC[C@@H]1CS(=O)(=O)NC ZINC000408367139 372923418 /nfs/dbraw/zinc/92/34/18/372923418.db2.gz RNNBZSOUJUPMBY-MRVPVSSYSA-N 1 2 292.361 -1.544 20 0 CAADLO CNC(=O)NC(=O)C[N@H+]1CCC[C@@H]1CS(=O)(=O)NC ZINC000408367139 372923423 /nfs/dbraw/zinc/92/34/23/372923423.db2.gz RNNBZSOUJUPMBY-MRVPVSSYSA-N 1 2 292.361 -1.544 20 0 CAADLO COC[C@@H](CO)NS(=O)(=O)C[C@@H]1C[N@H+](C)CCO1 ZINC000632294462 372926548 /nfs/dbraw/zinc/92/65/48/372926548.db2.gz KBEIDQQSPFLYJM-ZJUUUORDSA-N 1 2 282.362 -1.756 20 0 CAADLO COC[C@@H](CO)NS(=O)(=O)C[C@@H]1C[N@@H+](C)CCO1 ZINC000632294462 372926554 /nfs/dbraw/zinc/92/65/54/372926554.db2.gz KBEIDQQSPFLYJM-ZJUUUORDSA-N 1 2 282.362 -1.756 20 0 CAADLO CN(CCOCCO)S(=O)(=O)C[C@H]1C[N@H+](C)CCO1 ZINC000632310260 372928013 /nfs/dbraw/zinc/92/80/13/372928013.db2.gz SNWSBIYSEUCFTI-LLVKDONJSA-N 1 2 296.389 -1.413 20 0 CAADLO CN(CCOCCO)S(=O)(=O)C[C@H]1C[N@@H+](C)CCO1 ZINC000632310260 372928020 /nfs/dbraw/zinc/92/80/20/372928020.db2.gz SNWSBIYSEUCFTI-LLVKDONJSA-N 1 2 296.389 -1.413 20 0 CAADLO CN(CCOCCO)S(=O)(=O)C[C@@H]1C[N@H+](C)CCO1 ZINC000632310261 372928149 /nfs/dbraw/zinc/92/81/49/372928149.db2.gz SNWSBIYSEUCFTI-NSHDSACASA-N 1 2 296.389 -1.413 20 0 CAADLO CN(CCOCCO)S(=O)(=O)C[C@@H]1C[N@@H+](C)CCO1 ZINC000632310261 372928157 /nfs/dbraw/zinc/92/81/57/372928157.db2.gz SNWSBIYSEUCFTI-NSHDSACASA-N 1 2 296.389 -1.413 20 0 CAADLO CNC(=O)C[N@@H+]1CCCN(C(=O)[C@H]2CCC(=O)N2)CC1 ZINC000363493677 372931108 /nfs/dbraw/zinc/93/11/08/372931108.db2.gz STDIXHBLUMLUOT-SNVBAGLBSA-N 1 2 282.344 -1.455 20 0 CAADLO CNC(=O)C[N@H+]1CCCN(C(=O)[C@H]2CCC(=O)N2)CC1 ZINC000363493677 372931112 /nfs/dbraw/zinc/93/11/12/372931112.db2.gz STDIXHBLUMLUOT-SNVBAGLBSA-N 1 2 282.344 -1.455 20 0 CAADLO Cn1cnc(C(=O)NCC[NH+]2CCOCC2)cc1=O ZINC000635072645 372936385 /nfs/dbraw/zinc/93/63/85/372936385.db2.gz XABHUZSZEOPXCD-UHFFFAOYSA-N 1 2 266.301 -1.158 20 0 CAADLO CN1CC[C@](C)(C(=O)N2CC[NH+](CCO)CC2)C1=O ZINC000635247644 372940180 /nfs/dbraw/zinc/94/01/80/372940180.db2.gz CCQPCGVWRVNQPN-ZDUSSCGKSA-N 1 2 269.345 -1.009 20 0 CAADLO O=C(CO)N1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC000562270846 372942982 /nfs/dbraw/zinc/94/29/82/372942982.db2.gz PBZITWDDJRRSBG-UHFFFAOYSA-N 1 2 252.274 -1.454 20 0 CAADLO CCN(CC)C(=O)[C@H](C)[N@@H+]1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC000248199340 372943332 /nfs/dbraw/zinc/94/33/32/372943332.db2.gz YCHUOGDJCYBKGC-QWRGUYRKSA-N 1 2 296.371 -1.114 20 0 CAADLO CCN(CC)C(=O)[C@H](C)[N@H+]1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC000248199340 372943342 /nfs/dbraw/zinc/94/33/42/372943342.db2.gz YCHUOGDJCYBKGC-QWRGUYRKSA-N 1 2 296.371 -1.114 20 0 CAADLO CN1C(=O)C[C@@H]([NH+]2CCC(NS(C)(=O)=O)CC2)C1=O ZINC000643816304 372943954 /nfs/dbraw/zinc/94/39/54/372943954.db2.gz GVZKYXSEZJZSLZ-SECBINFHSA-N 1 2 289.357 -1.243 20 0 CAADLO CC[C@@H]1C[N@H+](CCNC(=O)Cn2cnnn2)CCO1 ZINC000564738416 372945120 /nfs/dbraw/zinc/94/51/20/372945120.db2.gz UTEQHFPIAFEWBQ-SNVBAGLBSA-N 1 2 268.321 -1.100 20 0 CAADLO CC[C@@H]1C[N@@H+](CCNC(=O)Cn2cnnn2)CCO1 ZINC000564738416 372945123 /nfs/dbraw/zinc/94/51/23/372945123.db2.gz UTEQHFPIAFEWBQ-SNVBAGLBSA-N 1 2 268.321 -1.100 20 0 CAADLO C[C@H](C[NH+]1CCOCC1)NC(=O)[C@@H](C)NS(C)(=O)=O ZINC000141702053 372953831 /nfs/dbraw/zinc/95/38/31/372953831.db2.gz DHFFMZWINQFQPE-NXEZZACHSA-N 1 2 293.389 -1.239 20 0 CAADLO CNC(=O)[C@]1(COC)CCC[N@@H+]1CC(=O)N1CCNC1=O ZINC000643825967 372950498 /nfs/dbraw/zinc/95/04/98/372950498.db2.gz CDPDNJZMMZOECC-CYBMUJFWSA-N 1 2 298.343 -1.235 20 0 CAADLO CNC(=O)[C@]1(COC)CCC[N@H+]1CC(=O)N1CCNC1=O ZINC000643825967 372950502 /nfs/dbraw/zinc/95/05/02/372950502.db2.gz CDPDNJZMMZOECC-CYBMUJFWSA-N 1 2 298.343 -1.235 20 0 CAADLO O=C(C[NH+]1CCCC1)N1CCN(Cc2n[nH]c(=O)[nH]2)CC1 ZINC000091555634 372951001 /nfs/dbraw/zinc/95/10/01/372951001.db2.gz OYHKQPXFNDHKLM-UHFFFAOYSA-N 1 2 294.359 -1.162 20 0 CAADLO CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCN2C(=O)NC[C@H]2C1 ZINC000363600541 372960208 /nfs/dbraw/zinc/96/02/08/372960208.db2.gz NTFMIGUCMLKNHN-IUCAKERBSA-N 1 2 283.332 -1.070 20 0 CAADLO CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCN2C(=O)NC[C@H]2C1 ZINC000363600541 372960210 /nfs/dbraw/zinc/96/02/10/372960210.db2.gz NTFMIGUCMLKNHN-IUCAKERBSA-N 1 2 283.332 -1.070 20 0 CAADLO O=C(NCCN1CCOCC1)NCC[NH+]1CCOCC1 ZINC000144804546 372962756 /nfs/dbraw/zinc/96/27/56/372962756.db2.gz BXKZTHFWTIEYSG-UHFFFAOYSA-N 1 2 286.376 -1.050 20 0 CAADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)[C@@]1(C)CCNC1=O ZINC000635658265 372963494 /nfs/dbraw/zinc/96/34/94/372963494.db2.gz FAYORLWKBNLMSV-RISCZKNCSA-N 1 2 299.371 -1.336 20 0 CAADLO NC(=O)C(=O)N1CC[C@@H](OCC[NH+]2CCOCC2)C1 ZINC000635685761 372963730 /nfs/dbraw/zinc/96/37/30/372963730.db2.gz QAARBMTXZDZSTO-SNVBAGLBSA-N 1 2 271.317 -1.579 20 0 CAADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@H]1C[C@@H](O)C1 ZINC000635657982 372965011 /nfs/dbraw/zinc/96/50/11/372965011.db2.gz BXLXWXCVUQGNHD-TUAOUCFPSA-N 1 2 272.345 -1.091 20 0 CAADLO C[C@H]1COCC[N@@H+]1CCNC(=O)CN1CC(=O)NC1=O ZINC000600999999 372965170 /nfs/dbraw/zinc/96/51/70/372965170.db2.gz OJIUPDCHYQKZTO-VIFPVBQESA-N 1 2 284.316 -1.625 20 0 CAADLO C[C@H]1COCC[N@H+]1CCNC(=O)CN1CC(=O)NC1=O ZINC000600999999 372965174 /nfs/dbraw/zinc/96/51/74/372965174.db2.gz OJIUPDCHYQKZTO-VIFPVBQESA-N 1 2 284.316 -1.625 20 0 CAADLO CCc1c[nH]c(CC(=O)N[C@@H]2CN(C)NC2=O)[nH+]1 ZINC000635765446 372969831 /nfs/dbraw/zinc/96/98/31/372969831.db2.gz CWGGYYNWTNWSOA-MRVPVSSYSA-N 1 2 251.290 -1.024 20 0 CAADLO C[C@@]1(C(=O)N[C@H](CO)C[NH+]2CCOCC2)CCNC1=O ZINC000635892744 372973911 /nfs/dbraw/zinc/97/39/11/372973911.db2.gz BCLXEPUDRRPWPJ-GXFFZTMASA-N 1 2 285.344 -1.678 20 0 CAADLO C[C@]1(C(=O)N[C@@H](CO)C[NH+]2CCOCC2)CCNC1=O ZINC000635892745 372974648 /nfs/dbraw/zinc/97/46/48/372974648.db2.gz BCLXEPUDRRPWPJ-MFKMUULPSA-N 1 2 285.344 -1.678 20 0 CAADLO CN1CC[C@](C)(C(=O)N[C@@H](CO)C[NH+]2CCOCC2)C1=O ZINC000635893242 372974954 /nfs/dbraw/zinc/97/49/54/372974954.db2.gz OAFHTWTUVSNYLG-BXUZGUMPSA-N 1 2 299.371 -1.336 20 0 CAADLO C[NH+](C)C[C@H](CO)NC(=O)C[C@H]1CCCS1(=O)=O ZINC000635928513 372978013 /nfs/dbraw/zinc/97/80/13/372978013.db2.gz IBMJTXXELQRFCG-NXEZZACHSA-N 1 2 278.374 -1.008 20 0 CAADLO COC(=O)C[C@@H]1C(=O)NCC[N@H+]1CCCNC(C)=O ZINC000142749410 372955184 /nfs/dbraw/zinc/95/51/84/372955184.db2.gz XYUGMEKFCASZMJ-SNVBAGLBSA-N 1 2 271.317 -1.124 20 0 CAADLO COC(=O)C[C@@H]1C(=O)NCC[N@@H+]1CCCNC(C)=O ZINC000142749410 372955188 /nfs/dbraw/zinc/95/51/88/372955188.db2.gz XYUGMEKFCASZMJ-SNVBAGLBSA-N 1 2 271.317 -1.124 20 0 CAADLO C[C@H](C[NH+]1CCOCC1)NC(=O)[C@H](C)NS(C)(=O)=O ZINC000141702350 372955238 /nfs/dbraw/zinc/95/52/38/372955238.db2.gz DHFFMZWINQFQPE-ZJUUUORDSA-N 1 2 293.389 -1.239 20 0 CAADLO CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCN2C(=O)NC[C@H]2C1 ZINC000363600539 372956920 /nfs/dbraw/zinc/95/69/20/372956920.db2.gz NTFMIGUCMLKNHN-BDAKNGLRSA-N 1 2 283.332 -1.070 20 0 CAADLO CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCN2C(=O)NC[C@H]2C1 ZINC000363600539 372956927 /nfs/dbraw/zinc/95/69/27/372956927.db2.gz NTFMIGUCMLKNHN-BDAKNGLRSA-N 1 2 283.332 -1.070 20 0 CAADLO COC(=O)c1cc(C(=O)N2CC[NH+](CCO)CC2)n(C)n1 ZINC000600992896 372957717 /nfs/dbraw/zinc/95/77/17/372957717.db2.gz IYYDLYHVNXHJAV-UHFFFAOYSA-N 1 2 296.327 -1.043 20 0 CAADLO CN(CC(=O)N1CC[NH+](C)CC1)C(=O)CCc1nn[nH]n1 ZINC000636315934 373004819 /nfs/dbraw/zinc/00/48/19/373004819.db2.gz JQRHHBLWPPDFNN-UHFFFAOYSA-N 1 2 295.347 -1.635 20 0 CAADLO C[C@@H](NC(=O)CN1CC(=O)NC1=O)[C@@H](C)[NH+]1CCOCC1 ZINC000332829781 373006665 /nfs/dbraw/zinc/00/66/65/373006665.db2.gz QGZXYWQCCGPJHO-NXEZZACHSA-N 1 2 298.343 -1.236 20 0 CAADLO O=C(NC[C@H]1C[NH+]2CCN1CC2)[C@H]1CCc2nncn2C1 ZINC000332769787 373008095 /nfs/dbraw/zinc/00/80/95/373008095.db2.gz LUSQWRWHQRAQDG-RYUDHWBXSA-N 1 2 290.371 -1.044 20 0 CAADLO CN1CCOC[C@H]1C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000332774147 373008609 /nfs/dbraw/zinc/00/86/09/373008609.db2.gz KUYFALPVFFURPM-QWRGUYRKSA-N 1 2 257.334 -1.236 20 0 CAADLO CN1CCOC[C@H]1C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000332774147 373008614 /nfs/dbraw/zinc/00/86/14/373008614.db2.gz KUYFALPVFFURPM-QWRGUYRKSA-N 1 2 257.334 -1.236 20 0 CAADLO COCC[N@H+](C)CCNC(=O)N1CC[NH+](C)C[C@H]1C[NH3+] ZINC000580052139 373009716 /nfs/dbraw/zinc/00/97/16/373009716.db2.gz IVAJEDLSXKFSEP-GFCCVEGCSA-N 1 2 287.408 -1.151 20 0 CAADLO COC(=O)Cn1cc(C[NH+]2CC(C)(C(N)=O)C2)nn1 ZINC000569720895 372982240 /nfs/dbraw/zinc/98/22/40/372982240.db2.gz YIJFLSWZQODKIL-UHFFFAOYSA-N 1 2 267.289 -1.242 20 0 CAADLO COCC[N@H+](C)CCNC(=O)N1CC[NH+](C)C[C@@H]1C[NH3+] ZINC000580052140 373010776 /nfs/dbraw/zinc/01/07/76/373010776.db2.gz IVAJEDLSXKFSEP-LBPRGKRZSA-N 1 2 287.408 -1.151 20 0 CAADLO CN1CC[C@H](NC(=O)N2C[C@H]3OCC[N@H+](C)[C@@H]3C2)C1=O ZINC000332929771 373039496 /nfs/dbraw/zinc/03/94/96/373039496.db2.gz BFUWRWREJYFSPQ-HBNTYKKESA-N 1 2 282.344 -1.059 20 0 CAADLO CN1CC[C@H](NC(=O)N2C[C@H]3OCC[N@@H+](C)[C@@H]3C2)C1=O ZINC000332929771 373039502 /nfs/dbraw/zinc/03/95/02/373039502.db2.gz BFUWRWREJYFSPQ-HBNTYKKESA-N 1 2 282.344 -1.059 20 0 CAADLO CCOC(=O)[C@H]1CCCN1C(=O)CN1CC[NH2+]CC1=O ZINC000582063744 373029649 /nfs/dbraw/zinc/02/96/49/373029649.db2.gz GJGIOXYJCDICOC-SNVBAGLBSA-N 1 2 283.328 -1.028 20 0 CAADLO COC(=O)[C@@H](C)CS(=O)(=O)N1CC[N@H+](C)C[C@H]1CO ZINC000601468356 373039766 /nfs/dbraw/zinc/03/97/66/373039766.db2.gz BRIIBKMINOHTKG-UWVGGRQHSA-N 1 2 294.373 -1.266 20 0 CAADLO COC(=O)[C@@H](C)CS(=O)(=O)N1CC[N@@H+](C)C[C@H]1CO ZINC000601468356 373039773 /nfs/dbraw/zinc/03/97/73/373039773.db2.gz BRIIBKMINOHTKG-UWVGGRQHSA-N 1 2 294.373 -1.266 20 0 CAADLO CCOC(=O)CNS(=O)(=O)C[C@@H]1C[N@H+](C)CCO1 ZINC000601343332 373031959 /nfs/dbraw/zinc/03/19/59/373031959.db2.gz MZZJHVHLGWWUHJ-VIFPVBQESA-N 1 2 280.346 -1.201 20 0 CAADLO CCOC(=O)CNS(=O)(=O)C[C@@H]1C[N@@H+](C)CCO1 ZINC000601343332 373031964 /nfs/dbraw/zinc/03/19/64/373031964.db2.gz MZZJHVHLGWWUHJ-VIFPVBQESA-N 1 2 280.346 -1.201 20 0 CAADLO COC(=O)CNS(=O)(=O)C[C@@H]1C[N@H+](C)CCO1 ZINC000601300427 373032144 /nfs/dbraw/zinc/03/21/44/373032144.db2.gz YCWKHRCALABDIJ-QMMMGPOBSA-N 1 2 266.319 -1.591 20 0 CAADLO COC(=O)CNS(=O)(=O)C[C@@H]1C[N@@H+](C)CCO1 ZINC000601300427 373032150 /nfs/dbraw/zinc/03/21/50/373032150.db2.gz YCWKHRCALABDIJ-QMMMGPOBSA-N 1 2 266.319 -1.591 20 0 CAADLO COC(=O)[C@H](C)NS(=O)(=O)C[C@H]1C[N@H+](C)CCO1 ZINC000601299920 373032643 /nfs/dbraw/zinc/03/26/43/373032643.db2.gz RGIYJNFYFLLGJG-DTWKUNHWSA-N 1 2 280.346 -1.202 20 0 CAADLO COC(=O)[C@H](C)NS(=O)(=O)C[C@H]1C[N@@H+](C)CCO1 ZINC000601299920 373032651 /nfs/dbraw/zinc/03/26/51/373032651.db2.gz RGIYJNFYFLLGJG-DTWKUNHWSA-N 1 2 280.346 -1.202 20 0 CAADLO COC(=O)[C@H](CO)NS(=O)(=O)CC1([NH+](C)C)CC1 ZINC000601384589 373034590 /nfs/dbraw/zinc/03/45/90/373034590.db2.gz CVAXCQSAXWXJTF-QMMMGPOBSA-N 1 2 280.346 -1.466 20 0 CAADLO CCOC(=O)[C@@H](CO)NS(=O)(=O)CC1([NH+](C)C)CC1 ZINC000601385165 373035077 /nfs/dbraw/zinc/03/50/77/373035077.db2.gz NVWPFLZTQPAMIS-SECBINFHSA-N 1 2 294.373 -1.076 20 0 CAADLO CCOC(=O)[C@H](CO)NS(=O)(=O)CC1([NH+](C)C)CC1 ZINC000601385166 373035621 /nfs/dbraw/zinc/03/56/21/373035621.db2.gz NVWPFLZTQPAMIS-VIFPVBQESA-N 1 2 294.373 -1.076 20 0 CAADLO COC(=O)[C@@H](C)NS(=O)(=O)C[C@H]1C[N@H+](C)CCO1 ZINC000601371841 373035917 /nfs/dbraw/zinc/03/59/17/373035917.db2.gz RGIYJNFYFLLGJG-RKDXNWHRSA-N 1 2 280.346 -1.202 20 0 CAADLO CCNC(=O)C[N@H+](CC)CC(=O)N1CCNC(=O)C1 ZINC000011288363 373038156 /nfs/dbraw/zinc/03/81/56/373038156.db2.gz GXAGQPXQNLOLRA-UHFFFAOYSA-N 1 2 270.333 -1.597 20 0 CAADLO CCNC(=O)C[N@@H+](CC)CC(=O)N1CCNC(=O)C1 ZINC000011288363 373038165 /nfs/dbraw/zinc/03/81/65/373038165.db2.gz GXAGQPXQNLOLRA-UHFFFAOYSA-N 1 2 270.333 -1.597 20 0 CAADLO COC(=O)[C@H](C)CS(=O)(=O)N1CC[N@H+](C)C[C@@H]1CO ZINC000601468355 373040154 /nfs/dbraw/zinc/04/01/54/373040154.db2.gz BRIIBKMINOHTKG-NXEZZACHSA-N 1 2 294.373 -1.266 20 0 CAADLO COC(=O)[C@H](C)CS(=O)(=O)N1CC[N@@H+](C)C[C@@H]1CO ZINC000601468355 373040155 /nfs/dbraw/zinc/04/01/55/373040155.db2.gz BRIIBKMINOHTKG-NXEZZACHSA-N 1 2 294.373 -1.266 20 0 CAADLO COC(=O)c1nccc(N[C@@H](CO)C[NH+]2CCOCC2)n1 ZINC000601177238 373013074 /nfs/dbraw/zinc/01/30/74/373013074.db2.gz RNNVSAATZNGRRI-SNVBAGLBSA-N 1 2 296.327 -1.210 20 0 CAADLO COC[C@@]1(C)C[N@H+](CC(=O)N2CCNC(=O)C2)CCO1 ZINC000626172165 373016385 /nfs/dbraw/zinc/01/63/85/373016385.db2.gz RXQWYUYOWYOJPN-CYBMUJFWSA-N 1 2 285.344 -1.318 20 0 CAADLO COC[C@@]1(C)C[N@@H+](CC(=O)N2CCNC(=O)C2)CCO1 ZINC000626172165 373016398 /nfs/dbraw/zinc/01/63/98/373016398.db2.gz RXQWYUYOWYOJPN-CYBMUJFWSA-N 1 2 285.344 -1.318 20 0 CAADLO O=C(c1cc(=O)[nH]cn1)N(CCO)CC[NH+]1CCOCC1 ZINC000626208094 373023617 /nfs/dbraw/zinc/02/36/17/373023617.db2.gz UJAVEXWVZKYJJR-UHFFFAOYSA-N 1 2 296.327 -1.051 20 0 CAADLO COC[C@@H](O)C[N@@H+]1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC000180272794 373024021 /nfs/dbraw/zinc/02/40/21/373024021.db2.gz BWLKFWRNMRFUKO-UWVGGRQHSA-N 1 2 266.363 -1.041 20 0 CAADLO COC[C@@H](O)C[N@H+]1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC000180272794 373024031 /nfs/dbraw/zinc/02/40/31/373024031.db2.gz BWLKFWRNMRFUKO-UWVGGRQHSA-N 1 2 266.363 -1.041 20 0 CAADLO COCCS(=O)(=O)N1CC[NH+](C[C@H](C)O)CC1 ZINC000187958840 373024156 /nfs/dbraw/zinc/02/41/56/373024156.db2.gz NNRSOKBQLRUZKB-JTQLQIEISA-N 1 2 266.363 -1.039 20 0 CAADLO CC(C)(C[NH+]1CCOCC1)NC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC000616286334 373049260 /nfs/dbraw/zinc/04/92/60/373049260.db2.gz CLYDBKSXGMXIAH-VIFPVBQESA-N 1 2 298.343 -1.189 20 0 CAADLO COCCN1CCC[N@@H+]([C@@H](C)C(=O)NC(N)=O)CC1=O ZINC000364953449 373052080 /nfs/dbraw/zinc/05/20/80/373052080.db2.gz HAVUPKFMFKPURR-VIFPVBQESA-N 1 2 286.332 -1.250 20 0 CAADLO COCCN1CCC[N@H+]([C@@H](C)C(=O)NC(N)=O)CC1=O ZINC000364953449 373052086 /nfs/dbraw/zinc/05/20/86/373052086.db2.gz HAVUPKFMFKPURR-VIFPVBQESA-N 1 2 286.332 -1.250 20 0 CAADLO C[C@H]1COCC[N@@H+]1CCNC(=O)N1CCNC(=O)C1 ZINC000591599594 373055060 /nfs/dbraw/zinc/05/50/60/373055060.db2.gz FZZHVCDBFRTJSF-JTQLQIEISA-N 1 2 270.333 -1.152 20 0 CAADLO C[C@H]1COCC[N@H+]1CCNC(=O)N1CCNC(=O)C1 ZINC000591599594 373055070 /nfs/dbraw/zinc/05/50/70/373055070.db2.gz FZZHVCDBFRTJSF-JTQLQIEISA-N 1 2 270.333 -1.152 20 0 CAADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)NCCS(N)(=O)=O ZINC000591564691 373055304 /nfs/dbraw/zinc/05/53/04/373055304.db2.gz APWVFCZYDBZVIO-SECBINFHSA-N 1 2 294.377 -1.705 20 0 CAADLO C[C@@H]1COCC[N@H+]1CCNC(=O)NCCS(N)(=O)=O ZINC000591564691 373055311 /nfs/dbraw/zinc/05/53/11/373055311.db2.gz APWVFCZYDBZVIO-SECBINFHSA-N 1 2 294.377 -1.705 20 0 CAADLO CNC(=O)NC(=O)C[N@@H+]1C[C@@H](O)C[C@H](C(=O)OC)C1 ZINC000592206025 373067032 /nfs/dbraw/zinc/06/70/32/373067032.db2.gz FKPZOJRVVJDOGO-YUMQZZPRSA-N 1 2 273.289 -1.702 20 0 CAADLO CNC(=O)NC(=O)C[N@H+]1C[C@@H](O)C[C@H](C(=O)OC)C1 ZINC000592206025 373067037 /nfs/dbraw/zinc/06/70/37/373067037.db2.gz FKPZOJRVVJDOGO-YUMQZZPRSA-N 1 2 273.289 -1.702 20 0 CAADLO CCNC(=O)NC(=O)C[N@@H+]1C[C@H](O)C[C@@H](C(=O)OC)C1 ZINC000592209044 373067418 /nfs/dbraw/zinc/06/74/18/373067418.db2.gz QJNUMVSWQIBDOR-RKDXNWHRSA-N 1 2 287.316 -1.312 20 0 CAADLO CCNC(=O)NC(=O)C[N@H+]1C[C@H](O)C[C@@H](C(=O)OC)C1 ZINC000592209044 373067429 /nfs/dbraw/zinc/06/74/29/373067429.db2.gz QJNUMVSWQIBDOR-RKDXNWHRSA-N 1 2 287.316 -1.312 20 0 CAADLO CCNC(=O)NC(=O)C[N@@H+]1C[C@@H](O)C[C@H](C(=O)OC)C1 ZINC000592209042 373067513 /nfs/dbraw/zinc/06/75/13/373067513.db2.gz QJNUMVSWQIBDOR-IUCAKERBSA-N 1 2 287.316 -1.312 20 0 CAADLO CCNC(=O)NC(=O)C[N@H+]1C[C@@H](O)C[C@H](C(=O)OC)C1 ZINC000592209042 373067521 /nfs/dbraw/zinc/06/75/21/373067521.db2.gz QJNUMVSWQIBDOR-IUCAKERBSA-N 1 2 287.316 -1.312 20 0 CAADLO CCNC(=O)NC(=O)C[N@@H+]1C[C@H](O)C[C@H](C(=O)OC)C1 ZINC000592209041 373067800 /nfs/dbraw/zinc/06/78/00/373067800.db2.gz QJNUMVSWQIBDOR-DTWKUNHWSA-N 1 2 287.316 -1.312 20 0 CAADLO CCNC(=O)NC(=O)C[N@H+]1C[C@H](O)C[C@H](C(=O)OC)C1 ZINC000592209041 373067811 /nfs/dbraw/zinc/06/78/11/373067811.db2.gz QJNUMVSWQIBDOR-DTWKUNHWSA-N 1 2 287.316 -1.312 20 0 CAADLO COC(=O)[C@H]1C[C@@H](O)C[N@H+](CC(=O)N2CCNC(=O)C2)C1 ZINC000592209098 373067856 /nfs/dbraw/zinc/06/78/56/373067856.db2.gz QYALETSCNWBPRK-VHSXEESVSA-N 1 2 299.327 -2.199 20 0 CAADLO COC(=O)[C@H]1C[C@@H](O)C[N@@H+](CC(=O)N2CCNC(=O)C2)C1 ZINC000592209098 373067862 /nfs/dbraw/zinc/06/78/62/373067862.db2.gz QYALETSCNWBPRK-VHSXEESVSA-N 1 2 299.327 -2.199 20 0 CAADLO C[C@H]1C[N@H+](CCCS(N)(=O)=O)C[C@H](CO)O1 ZINC000191787297 373040804 /nfs/dbraw/zinc/04/08/04/373040804.db2.gz JYOYFAZTPVNNKY-DTWKUNHWSA-N 1 2 252.336 -1.253 20 0 CAADLO COC(=O)[C@@H](C)CS(=O)(=O)N1CC[N@H+](C)C[C@@H]1CO ZINC000601468357 373041070 /nfs/dbraw/zinc/04/10/70/373041070.db2.gz BRIIBKMINOHTKG-VHSXEESVSA-N 1 2 294.373 -1.266 20 0 CAADLO COC(=O)[C@@H](C)CS(=O)(=O)N1CC[N@@H+](C)C[C@@H]1CO ZINC000601468357 373041075 /nfs/dbraw/zinc/04/10/75/373041075.db2.gz BRIIBKMINOHTKG-VHSXEESVSA-N 1 2 294.373 -1.266 20 0 CAADLO COC(=O)[C@@H]1C[C@H](O)C[N@H+](CC(=O)N2CCNC(=O)C2)C1 ZINC000592209099 373068234 /nfs/dbraw/zinc/06/82/34/373068234.db2.gz QYALETSCNWBPRK-ZJUUUORDSA-N 1 2 299.327 -2.199 20 0 CAADLO COC(=O)[C@@H]1C[C@H](O)C[N@@H+](CC(=O)N2CCNC(=O)C2)C1 ZINC000592209099 373068245 /nfs/dbraw/zinc/06/82/45/373068245.db2.gz QYALETSCNWBPRK-ZJUUUORDSA-N 1 2 299.327 -2.199 20 0 CAADLO COCC(COC)[NH+]1CCN(C(=O)[C@@H]2CC(=O)N2)CC1 ZINC000616255225 373044496 /nfs/dbraw/zinc/04/44/96/373044496.db2.gz ZVDPGFKVDBHGCG-NSHDSACASA-N 1 2 285.344 -1.320 20 0 CAADLO O=C(C[N@@H+]1C[C@@H]2C[C@H]1C[S@@]2=O)N1CCNC(=O)C1 ZINC000593092726 373086247 /nfs/dbraw/zinc/08/62/47/373086247.db2.gz CJCWJQHINZVDMI-ZMFHDSSTSA-N 1 2 271.342 -1.850 20 0 CAADLO O=C(C[N@H+]1C[C@@H]2C[C@H]1C[S@@]2=O)N1CCNC(=O)C1 ZINC000593092726 373086257 /nfs/dbraw/zinc/08/62/57/373086257.db2.gz CJCWJQHINZVDMI-ZMFHDSSTSA-N 1 2 271.342 -1.850 20 0 CAADLO COC(=O)C[C@H]1C(=O)NCC[N@H+]1C[C@@H]1CCC(=O)N1 ZINC000592997928 373088037 /nfs/dbraw/zinc/08/80/37/373088037.db2.gz VTGUZZKZRYRHML-IUCAKERBSA-N 1 2 269.301 -1.372 20 0 CAADLO COC(=O)C[C@H]1C(=O)NCC[N@@H+]1C[C@@H]1CCC(=O)N1 ZINC000592997928 373088042 /nfs/dbraw/zinc/08/80/42/373088042.db2.gz VTGUZZKZRYRHML-IUCAKERBSA-N 1 2 269.301 -1.372 20 0 CAADLO COC(=O)CCNC(=O)C[N@@H+]1C[C@@H]2C[C@H]1C[S@@]2=O ZINC000593094806 373088145 /nfs/dbraw/zinc/08/81/45/373088145.db2.gz LSNVYVPCABOQMO-ZMFHDSSTSA-N 1 2 274.342 -1.129 20 0 CAADLO COC(=O)CCNC(=O)C[N@H+]1C[C@@H]2C[C@H]1C[S@@]2=O ZINC000593094806 373088150 /nfs/dbraw/zinc/08/81/50/373088150.db2.gz LSNVYVPCABOQMO-ZMFHDSSTSA-N 1 2 274.342 -1.129 20 0 CAADLO CS(=O)(=O)NCC[N@@H+]1CCC[C@H](NS(C)(=O)=O)C1 ZINC000593286959 373090052 /nfs/dbraw/zinc/09/00/52/373090052.db2.gz XOKXWHRFYOMUDA-VIFPVBQESA-N 1 2 299.418 -1.451 20 0 CAADLO CS(=O)(=O)NCC[N@H+]1CCC[C@H](NS(C)(=O)=O)C1 ZINC000593286959 373090058 /nfs/dbraw/zinc/09/00/58/373090058.db2.gz XOKXWHRFYOMUDA-VIFPVBQESA-N 1 2 299.418 -1.451 20 0 CAADLO CN(C)C(=O)C[NH+]1CCN(c2nnnn2C)CC1 ZINC000593994134 373098343 /nfs/dbraw/zinc/09/83/43/373098343.db2.gz FDEFFBFCWVIPOR-UHFFFAOYSA-N 1 2 253.310 -1.580 20 0 CAADLO COC(=O)[C@@](C)(CCF)NC(=O)CN1CC[NH2+]CC1=O ZINC000595257420 373110056 /nfs/dbraw/zinc/11/00/56/373110056.db2.gz KWRLLHSKVAMNOQ-GFCCVEGCSA-N 1 2 289.307 -1.174 20 0 CAADLO CNC(=O)C[N@H+](C)[C@@H]1CCN(CCC(=O)OC)C1=O ZINC000595297314 373111558 /nfs/dbraw/zinc/11/15/58/373111558.db2.gz LTOWBPRXSYVZQG-SECBINFHSA-N 1 2 271.317 -1.172 20 0 CAADLO CNC(=O)C[N@@H+](C)[C@@H]1CCN(CCC(=O)OC)C1=O ZINC000595297314 373111567 /nfs/dbraw/zinc/11/15/67/373111567.db2.gz LTOWBPRXSYVZQG-SECBINFHSA-N 1 2 271.317 -1.172 20 0 CAADLO COC(=O)[C@H]1C[N@H+](CCN2C(=O)CN(C)C2=O)CCO1 ZINC000595307939 373112076 /nfs/dbraw/zinc/11/20/76/373112076.db2.gz NRIUKXOPNUDJNB-SECBINFHSA-N 1 2 285.300 -1.246 20 0 CAADLO COC(=O)[C@H]1C[N@@H+](CCN2C(=O)CN(C)C2=O)CCO1 ZINC000595307939 373112087 /nfs/dbraw/zinc/11/20/87/373112087.db2.gz NRIUKXOPNUDJNB-SECBINFHSA-N 1 2 285.300 -1.246 20 0 CAADLO COC(=O)CCN1CC[C@@H]([N@H+](C)[C@H]2CCNC2=O)C1=O ZINC000595395239 373112391 /nfs/dbraw/zinc/11/23/91/373112391.db2.gz LHVKBNPZDIABEO-VHSXEESVSA-N 1 2 283.328 -1.029 20 0 CAADLO COC(=O)CCN1CC[C@@H]([N@@H+](C)[C@H]2CCNC2=O)C1=O ZINC000595395239 373112400 /nfs/dbraw/zinc/11/24/00/373112400.db2.gz LHVKBNPZDIABEO-VHSXEESVSA-N 1 2 283.328 -1.029 20 0 CAADLO COC(=O)[C@@H]1C[N@H+](CCN2C(=O)CN(C)C2=O)CCO1 ZINC000595307944 373112744 /nfs/dbraw/zinc/11/27/44/373112744.db2.gz NRIUKXOPNUDJNB-VIFPVBQESA-N 1 2 285.300 -1.246 20 0 CAADLO COC(=O)[C@@H]1C[N@@H+](CCN2C(=O)CN(C)C2=O)CCO1 ZINC000595307944 373112752 /nfs/dbraw/zinc/11/27/52/373112752.db2.gz NRIUKXOPNUDJNB-VIFPVBQESA-N 1 2 285.300 -1.246 20 0 CAADLO COC(=O)CCN1CCC[C@H]([N@H+](C)CC(N)=O)C1=O ZINC000595295881 373112936 /nfs/dbraw/zinc/11/29/36/373112936.db2.gz GUXVJGKEPVVPJZ-VIFPVBQESA-N 1 2 271.317 -1.042 20 0 CAADLO COC(=O)CCN1CCC[C@H]([N@@H+](C)CC(N)=O)C1=O ZINC000595295881 373112941 /nfs/dbraw/zinc/11/29/41/373112941.db2.gz GUXVJGKEPVVPJZ-VIFPVBQESA-N 1 2 271.317 -1.042 20 0 CAADLO COC(=O)CCN1CCC[C@@H]([N@H+](C)CC(N)=O)C1=O ZINC000595295880 373113087 /nfs/dbraw/zinc/11/30/87/373113087.db2.gz GUXVJGKEPVVPJZ-SECBINFHSA-N 1 2 271.317 -1.042 20 0 CAADLO COC(=O)CCN1CCC[C@@H]([N@@H+](C)CC(N)=O)C1=O ZINC000595295880 373113093 /nfs/dbraw/zinc/11/30/93/373113093.db2.gz GUXVJGKEPVVPJZ-SECBINFHSA-N 1 2 271.317 -1.042 20 0 CAADLO COC(=O)[C@H](C)N(C)C(=O)CN1CC[NH2+]CC1=O ZINC000592275056 373070408 /nfs/dbraw/zinc/07/04/08/373070408.db2.gz YQJKWHOTTLPRQW-QMMMGPOBSA-N 1 2 257.290 -1.562 20 0 CAADLO CCOC(=O)C[C@@H](O)C[N@@H+]1CCO[C@@H](C(N)=O)C1 ZINC000599277600 373171937 /nfs/dbraw/zinc/17/19/37/373171937.db2.gz ONOGMAMGPXCFGX-RKDXNWHRSA-N 1 2 260.290 -1.513 20 0 CAADLO CCOC(=O)C[C@@H](O)C[N@H+]1CCO[C@@H](C(N)=O)C1 ZINC000599277600 373171942 /nfs/dbraw/zinc/17/19/42/373171942.db2.gz ONOGMAMGPXCFGX-RKDXNWHRSA-N 1 2 260.290 -1.513 20 0 CAADLO CCOC(=O)C[C@@H](O)C[N@@H+]1C[C@H](O)C[C@H]1C(=O)OC ZINC000599286968 373172180 /nfs/dbraw/zinc/17/21/80/373172180.db2.gz PDSYJCSITPGSDG-BBBLOLIVSA-N 1 2 275.301 -1.091 20 0 CAADLO CCOC(=O)C[C@@H](O)C[N@H+]1C[C@H](O)C[C@H]1C(=O)OC ZINC000599286968 373172188 /nfs/dbraw/zinc/17/21/88/373172188.db2.gz PDSYJCSITPGSDG-BBBLOLIVSA-N 1 2 275.301 -1.091 20 0 CAADLO CC[C@H](O)C[N@@H+]1C[C@@H](N2C(=O)CNC2=O)C[C@H]1C(=O)OC ZINC000598640061 373163602 /nfs/dbraw/zinc/16/36/02/373163602.db2.gz SSUBMDXKZGIVJE-GUBZILKMSA-N 1 2 299.327 -1.075 20 0 CAADLO CC[C@H](O)C[N@H+]1C[C@@H](N2C(=O)CNC2=O)C[C@H]1C(=O)OC ZINC000598640061 373163612 /nfs/dbraw/zinc/16/36/12/373163612.db2.gz SSUBMDXKZGIVJE-GUBZILKMSA-N 1 2 299.327 -1.075 20 0 CAADLO CCOC(=O)C[C@@H](O)C[N@@H+]1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000599337551 373172274 /nfs/dbraw/zinc/17/22/74/373172274.db2.gz BQVIKEOICGOVKJ-BDAKNGLRSA-N 1 2 285.300 -1.464 20 0 CAADLO CCOC(=O)C[C@@H](O)C[N@H+]1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000599337551 373172294 /nfs/dbraw/zinc/17/22/94/373172294.db2.gz BQVIKEOICGOVKJ-BDAKNGLRSA-N 1 2 285.300 -1.464 20 0 CAADLO CCOC(=O)[C@](C)(O)CNc1nc(N)nc(N)[nH+]1 ZINC000599064814 373165995 /nfs/dbraw/zinc/16/59/95/373165995.db2.gz FECLAHUUYKVCIV-SECBINFHSA-N 1 2 256.266 -2.155 20 0 CAADLO C[S@@](=O)C1(CNc2nc(N)nc(N)[nH+]2)CCC1 ZINC000599074020 373167107 /nfs/dbraw/zinc/16/71/07/373167107.db2.gz JFHUPOBPDMWJIF-QGZVFWFLSA-N 1 2 256.335 -1.168 20 0 CAADLO CN(C)C(=O)N(C)[C@H]1CC[N@H+](CC(=O)NC(N)=O)C1 ZINC000595829155 373119655 /nfs/dbraw/zinc/11/96/55/373119655.db2.gz WXJSDORZCIZTQM-QMMMGPOBSA-N 1 2 271.321 -1.131 20 0 CAADLO CN(C)C(=O)N(C)[C@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC000595829155 373119664 /nfs/dbraw/zinc/11/96/64/373119664.db2.gz WXJSDORZCIZTQM-QMMMGPOBSA-N 1 2 271.321 -1.131 20 0 CAADLO COC(=O)[C@@](C)(O)C[N@@H+]1CCN(S(C)(=O)=O)[C@H](C)C1 ZINC000595752767 373120930 /nfs/dbraw/zinc/12/09/30/373120930.db2.gz NKBMNWXMUSRZLT-KOLCDFICSA-N 1 2 294.373 -1.124 20 0 CAADLO COC(=O)[C@@](C)(O)C[N@H+]1CCN(S(C)(=O)=O)[C@H](C)C1 ZINC000595752767 373120932 /nfs/dbraw/zinc/12/09/32/373120932.db2.gz NKBMNWXMUSRZLT-KOLCDFICSA-N 1 2 294.373 -1.124 20 0 CAADLO CCOC(=O)[C@@H](N)C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000595948646 373123343 /nfs/dbraw/zinc/12/33/43/373123343.db2.gz SRCSAGHILMVUKW-UWVGGRQHSA-N 1 2 273.333 -1.286 20 0 CAADLO CCOC(=O)[C@@H](N)C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000595948646 373123351 /nfs/dbraw/zinc/12/33/51/373123351.db2.gz SRCSAGHILMVUKW-UWVGGRQHSA-N 1 2 273.333 -1.286 20 0 CAADLO CCOC(=O)[C@H](N)C(=O)N(C)CC[NH+]1CCOCC1 ZINC000595953742 373124363 /nfs/dbraw/zinc/12/43/63/373124363.db2.gz CNIRXMXXKQOLHL-SNVBAGLBSA-N 1 2 273.333 -1.333 20 0 CAADLO CCOC(=O)[C@@H](N)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000595967288 373125775 /nfs/dbraw/zinc/12/57/75/373125775.db2.gz RGNJORCVVZZNFR-QWRGUYRKSA-N 1 2 285.344 -1.190 20 0 CAADLO CCOC(=O)[C@H](N)C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000595945667 373127687 /nfs/dbraw/zinc/12/76/87/373127687.db2.gz VXYLAZTZBBYYCY-NXEZZACHSA-N 1 2 273.333 -1.286 20 0 CAADLO CCOC(=O)[C@H](N)C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000595945667 373127693 /nfs/dbraw/zinc/12/76/93/373127693.db2.gz VXYLAZTZBBYYCY-NXEZZACHSA-N 1 2 273.333 -1.286 20 0 CAADLO COC(=O)CCCN(C)C(=O)CN1CC[NH2+]CC1=O ZINC000595971677 373128247 /nfs/dbraw/zinc/12/82/47/373128247.db2.gz QDYCDHSQVQZWQO-UHFFFAOYSA-N 1 2 271.317 -1.170 20 0 CAADLO COC(=O)[C@H]1C[C@@H](N(C)C(=O)CN2CC[NH2+]CC2=O)C1 ZINC000595986299 373130625 /nfs/dbraw/zinc/13/06/25/373130625.db2.gz HGQXYGVUIFVHOA-AOOOYVTPSA-N 1 2 283.328 -1.172 20 0 CAADLO CCOC(=O)C[C@H](O)C[N@@H+]1CCO[C@@H](C(N)=O)C1 ZINC000599277598 373170644 /nfs/dbraw/zinc/17/06/44/373170644.db2.gz ONOGMAMGPXCFGX-DTWKUNHWSA-N 1 2 260.290 -1.513 20 0 CAADLO CCOC(=O)C[C@H](O)C[N@H+]1CCO[C@@H](C(N)=O)C1 ZINC000599277598 373170652 /nfs/dbraw/zinc/17/06/52/373170652.db2.gz ONOGMAMGPXCFGX-DTWKUNHWSA-N 1 2 260.290 -1.513 20 0 CAADLO CCOC(=O)C[C@H](O)C[N@@H+]1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000599337552 373170884 /nfs/dbraw/zinc/17/08/84/373170884.db2.gz BQVIKEOICGOVKJ-DTWKUNHWSA-N 1 2 285.300 -1.464 20 0 CAADLO CCOC(=O)C[C@H](O)C[N@H+]1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000599337552 373170894 /nfs/dbraw/zinc/17/08/94/373170894.db2.gz BQVIKEOICGOVKJ-DTWKUNHWSA-N 1 2 285.300 -1.464 20 0 CAADLO O=C1CN(C/C=C/C[N@@H+]2CCNC(=O)C2)CCN1 ZINC000051379601 373140285 /nfs/dbraw/zinc/14/02/85/373140285.db2.gz YVNRVUYGIPVXGX-OWOJBTEDSA-N 1 2 252.318 -1.594 20 0 CAADLO O=C1CN(C/C=C/C[N@H+]2CCNC(=O)C2)CCN1 ZINC000051379601 373140291 /nfs/dbraw/zinc/14/02/91/373140291.db2.gz YVNRVUYGIPVXGX-OWOJBTEDSA-N 1 2 252.318 -1.594 20 0 CAADLO CNC(=O)NC(=O)C[NH+]1CCN(c2nnc(C)n2C)CC1 ZINC000602941422 373210424 /nfs/dbraw/zinc/21/04/24/373210424.db2.gz KDEFWGJSXBRTBQ-UHFFFAOYSA-N 1 2 295.347 -1.299 20 0 CAADLO CNS(=O)(=O)[C@H]1CCC[N@@H+]([C@H]2CC(=O)N(C)C2=O)C1 ZINC000603510484 373214812 /nfs/dbraw/zinc/21/48/12/373214812.db2.gz LXJHXIHAFYRKIB-IUCAKERBSA-N 1 2 289.357 -1.243 20 0 CAADLO CNS(=O)(=O)[C@H]1CCC[N@H+]([C@H]2CC(=O)N(C)C2=O)C1 ZINC000603510484 373214824 /nfs/dbraw/zinc/21/48/24/373214824.db2.gz LXJHXIHAFYRKIB-IUCAKERBSA-N 1 2 289.357 -1.243 20 0 CAADLO CN(C)S(=O)(=O)N1CC[NH+](C[C@H]2COCCO2)CC1 ZINC000603506908 373215168 /nfs/dbraw/zinc/21/51/68/373215168.db2.gz YWKXRHYCLTWBDS-NSHDSACASA-N 1 2 293.389 -1.174 20 0 CAADLO O=C(NCCN1CCNC(=O)C1)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000637034649 373223508 /nfs/dbraw/zinc/22/35/08/373223508.db2.gz RIQANDIUKCHNSE-SNVBAGLBSA-N 1 2 292.343 -1.461 20 0 CAADLO CCOC(=O)C[C@H](O)C[N@@H+]1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC000599319128 373173374 /nfs/dbraw/zinc/17/33/74/373173374.db2.gz KCFFMVBKSOMLPC-UWVGGRQHSA-N 1 2 299.327 -2.057 20 0 CAADLO CCOC(=O)C[C@H](O)C[N@H+]1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC000599319128 373173381 /nfs/dbraw/zinc/17/33/81/373173381.db2.gz KCFFMVBKSOMLPC-UWVGGRQHSA-N 1 2 299.327 -2.057 20 0 CAADLO CCOC(=O)C[C@@H](O)C[N@@H+]1CCOC[C@H]1CC(N)=O ZINC000599435124 373174465 /nfs/dbraw/zinc/17/44/65/373174465.db2.gz RUHAGWJXMFYASQ-NXEZZACHSA-N 1 2 274.317 -1.123 20 0 CAADLO CCOC(=O)C[C@@H](O)C[N@H+]1CCOC[C@H]1CC(N)=O ZINC000599435124 373174475 /nfs/dbraw/zinc/17/44/75/373174475.db2.gz RUHAGWJXMFYASQ-NXEZZACHSA-N 1 2 274.317 -1.123 20 0 CAADLO CCOC(=O)C[C@@H](O)C[N@@H+]1CCOC[C@@H]1CC(N)=O ZINC000599435127 373174793 /nfs/dbraw/zinc/17/47/93/373174793.db2.gz RUHAGWJXMFYASQ-VHSXEESVSA-N 1 2 274.317 -1.123 20 0 CAADLO CCOC(=O)C[C@@H](O)C[N@H+]1CCOC[C@@H]1CC(N)=O ZINC000599435127 373174798 /nfs/dbraw/zinc/17/47/98/373174798.db2.gz RUHAGWJXMFYASQ-VHSXEESVSA-N 1 2 274.317 -1.123 20 0 CAADLO O=C(CNC(=O)c1cnccn1)NCC[NH+]1CCOCC1 ZINC000599374105 373174862 /nfs/dbraw/zinc/17/48/62/373174862.db2.gz JXEIOOOHDFUMNM-UHFFFAOYSA-N 1 2 293.327 -1.345 20 0 CAADLO CCOC(=O)C[C@@H](O)C[N@H+](C)[C@@H](COC)C(N)=O ZINC000599427762 373176780 /nfs/dbraw/zinc/17/67/80/373176780.db2.gz VBPFPMNFZPIUBK-BDAKNGLRSA-N 1 2 262.306 -1.267 20 0 CAADLO CCOC(=O)C[C@@H](O)C[N@@H+](C)[C@@H](COC)C(N)=O ZINC000599427762 373176787 /nfs/dbraw/zinc/17/67/87/373176787.db2.gz VBPFPMNFZPIUBK-BDAKNGLRSA-N 1 2 262.306 -1.267 20 0 CAADLO NC(=O)NC(=O)CN1CC[NH+](Cc2cn[nH]c2)CC1 ZINC000599440518 373176934 /nfs/dbraw/zinc/17/69/34/373176934.db2.gz MOLFSDKWKMKJJQ-UHFFFAOYSA-N 1 2 266.305 -1.278 20 0 CAADLO NC(=O)NC(=O)C[NH+]1CCN(Cc2cn[nH]c2)CC1 ZINC000599440518 373176940 /nfs/dbraw/zinc/17/69/40/373176940.db2.gz MOLFSDKWKMKJJQ-UHFFFAOYSA-N 1 2 266.305 -1.278 20 0 CAADLO CNC(=O)NC(=O)CN1CC[NH+](Cc2cn[nH]c2)CC1 ZINC000599440120 373177549 /nfs/dbraw/zinc/17/75/49/373177549.db2.gz GJNFEUFSXPKWSO-UHFFFAOYSA-N 1 2 280.332 -1.017 20 0 CAADLO CC[C@H](C)[C@@H](NC(=O)C[NH+]1C[C@H](O)[C@@H](O)C1)C(=O)OC ZINC000599531174 373178424 /nfs/dbraw/zinc/17/84/24/373178424.db2.gz LNJLIBZADCBDBU-QFOLPQNPSA-N 1 2 288.344 -1.272 20 0 CAADLO CNC(=O)NC(=O)[C@H](C)[NH+]1CCN(c2nccnn2)CC1 ZINC000599509727 373178561 /nfs/dbraw/zinc/17/85/61/373178561.db2.gz PBHPFVCIQVCSPI-VIFPVBQESA-N 1 2 293.331 -1.162 20 0 CAADLO CNC(=O)NC(=O)[C@@H](C)[NH+]1CCN(c2nccnn2)CC1 ZINC000599509726 373178712 /nfs/dbraw/zinc/17/87/12/373178712.db2.gz PBHPFVCIQVCSPI-SECBINFHSA-N 1 2 293.331 -1.162 20 0 CAADLO COC(=O)[C@@H](NC(=O)C[NH+]1C[C@H](O)[C@@H](O)C1)C(C)C ZINC000599531825 373179458 /nfs/dbraw/zinc/17/94/58/373179458.db2.gz QVAGURAWQHOMBH-QXEWZRGKSA-N 1 2 274.317 -1.662 20 0 CAADLO CNC(=O)NC[C@@H]1C[N@H+](C[C@](C)(O)C(=O)OC)CCO1 ZINC000599539419 373181018 /nfs/dbraw/zinc/18/10/18/373181018.db2.gz CPWYMDYCIMHBMN-SKDRFNHKSA-N 1 2 289.332 -1.460 20 0 CAADLO CNC(=O)NC[C@@H]1C[N@@H+](C[C@](C)(O)C(=O)OC)CCO1 ZINC000599539419 373181026 /nfs/dbraw/zinc/18/10/26/373181026.db2.gz CPWYMDYCIMHBMN-SKDRFNHKSA-N 1 2 289.332 -1.460 20 0 CAADLO CNC(=O)NC[C@@H]1C[N@H+](C[C@@](C)(O)C(=O)OC)CCO1 ZINC000599539416 373181838 /nfs/dbraw/zinc/18/18/38/373181838.db2.gz CPWYMDYCIMHBMN-BXKDBHETSA-N 1 2 289.332 -1.460 20 0 CAADLO CNC(=O)NC[C@@H]1C[N@@H+](C[C@@](C)(O)C(=O)OC)CCO1 ZINC000599539416 373181845 /nfs/dbraw/zinc/18/18/45/373181845.db2.gz CPWYMDYCIMHBMN-BXKDBHETSA-N 1 2 289.332 -1.460 20 0 CAADLO CNC(=O)NC(=O)C[N@@H+]1CC[C@](OC)(C(=O)OC)C1 ZINC000599568684 373181904 /nfs/dbraw/zinc/18/19/04/373181904.db2.gz HXBVWSSQJDZDDH-LLVKDONJSA-N 1 2 273.289 -1.294 20 0 CAADLO CNC(=O)NC(=O)C[N@H+]1CC[C@](OC)(C(=O)OC)C1 ZINC000599568684 373181907 /nfs/dbraw/zinc/18/19/07/373181907.db2.gz HXBVWSSQJDZDDH-LLVKDONJSA-N 1 2 273.289 -1.294 20 0 CAADLO COC(=O)[C@@H](C)[NH+]1CCC(NS(N)(=O)=O)CC1 ZINC000599646731 373183475 /nfs/dbraw/zinc/18/34/75/373183475.db2.gz KJVXPRUPWUGSIK-SSDOTTSWSA-N 1 2 265.335 -1.195 20 0 CAADLO CCOC(=O)[C@](C)(O)C[N@@H+]1CCO[C@@H](CC(N)=O)C1 ZINC000599666613 373184230 /nfs/dbraw/zinc/18/42/30/373184230.db2.gz YPFWFTIOWBDYKE-JOYOIKCWSA-N 1 2 274.317 -1.123 20 0 CAADLO CCOC(=O)[C@](C)(O)C[N@H+]1CCO[C@@H](CC(N)=O)C1 ZINC000599666613 373184240 /nfs/dbraw/zinc/18/42/40/373184240.db2.gz YPFWFTIOWBDYKE-JOYOIKCWSA-N 1 2 274.317 -1.123 20 0 CAADLO CCNC(=O)NC(=O)C[N@@H+]1CC[C@]2(C1)NC(=O)N(C)C2=O ZINC000604550534 373224971 /nfs/dbraw/zinc/22/49/71/373224971.db2.gz DRURXOIHTJLAAI-GFCCVEGCSA-N 1 2 297.315 -1.542 20 0 CAADLO CCNC(=O)NC(=O)C[N@H+]1CC[C@]2(C1)NC(=O)N(C)C2=O ZINC000604550534 373224972 /nfs/dbraw/zinc/22/49/72/373224972.db2.gz DRURXOIHTJLAAI-GFCCVEGCSA-N 1 2 297.315 -1.542 20 0 CAADLO COC(=O)[C@H]1CN(C(=O)Cc2ncn[nH]2)CC[N@H+](C)C1 ZINC000601633215 373189791 /nfs/dbraw/zinc/18/97/91/373189791.db2.gz USUFBPLGPWKLGS-SECBINFHSA-N 1 2 281.316 -1.090 20 0 CAADLO COC(=O)[C@H]1CN(C(=O)Cc2ncn[nH]2)CC[N@@H+](C)C1 ZINC000601633215 373189803 /nfs/dbraw/zinc/18/98/03/373189803.db2.gz USUFBPLGPWKLGS-SECBINFHSA-N 1 2 281.316 -1.090 20 0 CAADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(N)=O)[C@H](C)C1 ZINC000602134355 373194403 /nfs/dbraw/zinc/19/44/03/373194403.db2.gz VGGHYMKWSGCLJZ-MRVPVSSYSA-N 1 2 257.290 -1.433 20 0 CAADLO COC(=O)CC[N@H+]1CCN(C(=O)C(N)=O)[C@H](C)C1 ZINC000602134355 373194408 /nfs/dbraw/zinc/19/44/08/373194408.db2.gz VGGHYMKWSGCLJZ-MRVPVSSYSA-N 1 2 257.290 -1.433 20 0 CAADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(N)=O)C[C@@H]1C ZINC000602129439 373194479 /nfs/dbraw/zinc/19/44/79/373194479.db2.gz IQMDSZRVRWNHJN-QMMMGPOBSA-N 1 2 257.290 -1.433 20 0 CAADLO COC(=O)CC[N@H+]1CCN(C(=O)C(N)=O)C[C@@H]1C ZINC000602129439 373194485 /nfs/dbraw/zinc/19/44/85/373194485.db2.gz IQMDSZRVRWNHJN-QMMMGPOBSA-N 1 2 257.290 -1.433 20 0 CAADLO CC[C@H](NC(=O)[C@@H](C)N1CC[NH2+]CC1=O)C(=O)OC ZINC000602440620 373197721 /nfs/dbraw/zinc/19/77/21/373197721.db2.gz RROONQHNEYHUAG-BDAKNGLRSA-N 1 2 271.317 -1.126 20 0 CAADLO COC(=O)[C@@H](C)CNC(=O)[C@@H](C)N1CC[NH2+]CC1=O ZINC000602452631 373199327 /nfs/dbraw/zinc/19/93/27/373199327.db2.gz DUMJSVROLJCEDK-DTWKUNHWSA-N 1 2 271.317 -1.268 20 0 CAADLO COC(=O)[C@H]1C[C@@H](NC(=O)[C@H](C)N2CC[NH2+]CC2=O)C1 ZINC000602522002 373199637 /nfs/dbraw/zinc/19/96/37/373199637.db2.gz QSVDPAQILHXTGZ-LPEHRKFASA-N 1 2 283.328 -1.126 20 0 CAADLO COC(=O)[C@@H]1CN(C(=O)[C@H](C)N2CC[NH2+]CC2=O)CCO1 ZINC000602519029 373200100 /nfs/dbraw/zinc/20/01/00/373200100.db2.gz DNQRIJBYDVPBJY-UWVGGRQHSA-N 1 2 299.327 -1.793 20 0 CAADLO COC(=O)CCCNC(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000602433340 373200118 /nfs/dbraw/zinc/20/01/18/373200118.db2.gz LNWZXJCWBDEEMN-VIFPVBQESA-N 1 2 271.317 -1.124 20 0 CAADLO COC(=O)[C@@H](NC(=O)[C@@H](C)N1CC[NH2+]CC1=O)C1CC1 ZINC000602456665 373200167 /nfs/dbraw/zinc/20/01/67/373200167.db2.gz CBSWAYGPFFISRY-KCJUWKMLSA-N 1 2 283.328 -1.126 20 0 CAADLO COC(=O)[C@H]1C[C@@H](NC(=O)[C@@H](C)N2CC[NH2+]CC2=O)C1 ZINC000602521999 373200319 /nfs/dbraw/zinc/20/03/19/373200319.db2.gz QSVDPAQILHXTGZ-BBBLOLIVSA-N 1 2 283.328 -1.126 20 0 CAADLO CCOC(=O)[C@@H](N)C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000602544975 373203058 /nfs/dbraw/zinc/20/30/58/373203058.db2.gz GFMSRMYQSNKWQV-IUCAKERBSA-N 1 2 259.306 -1.676 20 0 CAADLO CCOC(=O)[C@@H](N)C(=O)NC[C@H]1COCC[N@H+]1C ZINC000602544975 373203068 /nfs/dbraw/zinc/20/30/68/373203068.db2.gz GFMSRMYQSNKWQV-IUCAKERBSA-N 1 2 259.306 -1.676 20 0 CAADLO COC(=O)C1(CNC(=O)[C@H](C)N2CC[NH2+]CC2=O)CC1 ZINC000602507788 373203211 /nfs/dbraw/zinc/20/32/11/373203211.db2.gz KAXQWQCGPDILTB-VIFPVBQESA-N 1 2 283.328 -1.124 20 0 CAADLO COC(=O)[C@H](C)N(C)C(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000602504354 373203228 /nfs/dbraw/zinc/20/32/28/373203228.db2.gz PSJYHVBDVWSZGO-IUCAKERBSA-N 1 2 271.317 -1.173 20 0 CAADLO CCOC(=O)[C@@H](N)C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000602544971 373203292 /nfs/dbraw/zinc/20/32/92/373203292.db2.gz GFMSRMYQSNKWQV-BDAKNGLRSA-N 1 2 259.306 -1.676 20 0 CAADLO CCOC(=O)[C@@H](N)C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000602544971 373203296 /nfs/dbraw/zinc/20/32/96/373203296.db2.gz GFMSRMYQSNKWQV-BDAKNGLRSA-N 1 2 259.306 -1.676 20 0 CAADLO C[C@H]1COCC[N@@H+]1CCNC(=O)N[C@@H]1COC[C@@H]1O ZINC000636743771 373205678 /nfs/dbraw/zinc/20/56/78/373205678.db2.gz DXFHLMQMUWDDOC-AXFHLTTASA-N 1 2 273.333 -1.234 20 0 CAADLO C[C@H]1COCC[N@H+]1CCNC(=O)N[C@@H]1COC[C@@H]1O ZINC000636743771 373205683 /nfs/dbraw/zinc/20/56/83/373205683.db2.gz DXFHLMQMUWDDOC-AXFHLTTASA-N 1 2 273.333 -1.234 20 0 CAADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)N[C@@H]1COC[C@@H]1O ZINC000636743772 373206408 /nfs/dbraw/zinc/20/64/08/373206408.db2.gz DXFHLMQMUWDDOC-MXWKQRLJSA-N 1 2 273.333 -1.234 20 0 CAADLO C[C@@H]1COCC[N@H+]1CCNC(=O)N[C@@H]1COC[C@@H]1O ZINC000636743772 373206417 /nfs/dbraw/zinc/20/64/17/373206417.db2.gz DXFHLMQMUWDDOC-MXWKQRLJSA-N 1 2 273.333 -1.234 20 0 CAADLO CNC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000338027009 373271562 /nfs/dbraw/zinc/27/15/62/373271562.db2.gz YZUZBTKBVGNXFS-JTQLQIEISA-N 1 2 255.318 -1.087 20 0 CAADLO COCCN1C[C@@H](C(=O)NC[C@@H]2C[N@H+](C)CCO2)CC1=O ZINC000338119417 373271894 /nfs/dbraw/zinc/27/18/94/373271894.db2.gz ZZBDFHJMLNHMKV-NWDGAFQWSA-N 1 2 299.371 -1.072 20 0 CAADLO COCCN1C[C@@H](C(=O)NC[C@@H]2C[N@@H+](C)CCO2)CC1=O ZINC000338119417 373271907 /nfs/dbraw/zinc/27/19/07/373271907.db2.gz ZZBDFHJMLNHMKV-NWDGAFQWSA-N 1 2 299.371 -1.072 20 0 CAADLO CC[C@@H](C)[C@H]1CN(CC(N)=O)CC[N@@H+]1CC(N)=O ZINC000337974027 373272489 /nfs/dbraw/zinc/27/24/89/373272489.db2.gz DGBZLAAWBLOOBW-NXEZZACHSA-N 1 2 256.350 -1.011 20 0 CAADLO CC[C@@H](C)[C@H]1CN(CC(N)=O)CC[N@H+]1CC(N)=O ZINC000337974027 373272494 /nfs/dbraw/zinc/27/24/94/373272494.db2.gz DGBZLAAWBLOOBW-NXEZZACHSA-N 1 2 256.350 -1.011 20 0 CAADLO CC[C@@H](C)[C@H]1C[N@H+](CC(N)=O)CCN1CC(N)=O ZINC000337974027 373272499 /nfs/dbraw/zinc/27/24/99/373272499.db2.gz DGBZLAAWBLOOBW-NXEZZACHSA-N 1 2 256.350 -1.011 20 0 CAADLO CC[C@@H](C)[C@H]1C[N@@H+](CC(N)=O)CCN1CC(N)=O ZINC000337974027 373272504 /nfs/dbraw/zinc/27/25/04/373272504.db2.gz DGBZLAAWBLOOBW-NXEZZACHSA-N 1 2 256.350 -1.011 20 0 CAADLO CNC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000338027018 373272552 /nfs/dbraw/zinc/27/25/52/373272552.db2.gz YZUZBTKBVGNXFS-SNVBAGLBSA-N 1 2 255.318 -1.087 20 0 CAADLO COCCN1C[C@@H](C(=O)NC[C@H]2C[N@H+](C)CCO2)CC1=O ZINC000338119418 373273854 /nfs/dbraw/zinc/27/38/54/373273854.db2.gz ZZBDFHJMLNHMKV-RYUDHWBXSA-N 1 2 299.371 -1.072 20 0 CAADLO COCCN1C[C@@H](C(=O)NC[C@H]2C[N@@H+](C)CCO2)CC1=O ZINC000338119418 373273861 /nfs/dbraw/zinc/27/38/61/373273861.db2.gz ZZBDFHJMLNHMKV-RYUDHWBXSA-N 1 2 299.371 -1.072 20 0 CAADLO CC(=O)N[C@H](C)C(=O)NCCC[N@@H+]1CCNC(=O)C1 ZINC000338137376 373274000 /nfs/dbraw/zinc/27/40/00/373274000.db2.gz SXWCNQYSSZGVIZ-SECBINFHSA-N 1 2 270.333 -1.551 20 0 CAADLO CC(=O)N[C@H](C)C(=O)NCCC[N@H+]1CCNC(=O)C1 ZINC000338137376 373274011 /nfs/dbraw/zinc/27/40/11/373274011.db2.gz SXWCNQYSSZGVIZ-SECBINFHSA-N 1 2 270.333 -1.551 20 0 CAADLO CC(C)(C(=O)NCCNS(C)(=O)=O)[NH+]1CCOCC1 ZINC000338165542 373274210 /nfs/dbraw/zinc/27/42/10/373274210.db2.gz SYLNQXMNPXHTNX-UHFFFAOYSA-N 1 2 293.389 -1.237 20 0 CAADLO CN(C[C@@H](O)CO)C(=O)C(C)(C)[NH+]1CCOCC1 ZINC000338177980 373274695 /nfs/dbraw/zinc/27/46/95/373274695.db2.gz NCLAIQQJYFBFLE-SNVBAGLBSA-N 1 2 260.334 -1.091 20 0 CAADLO COC(=O)[C@H](O)CNC(=O)C(C)(C)[NH+]1CCOCC1 ZINC000338174562 373274877 /nfs/dbraw/zinc/27/48/77/373274877.db2.gz OQOOYYUFBLIUJT-SECBINFHSA-N 1 2 274.317 -1.253 20 0 CAADLO O=C(NCCC[N@@H+]1CCNC(=O)C1)[C@H]1COCCO1 ZINC000338134440 373274943 /nfs/dbraw/zinc/27/49/43/373274943.db2.gz BZPCDJNZRJHYMM-SNVBAGLBSA-N 1 2 271.317 -1.660 20 0 CAADLO O=C(NCCC[N@H+]1CCNC(=O)C1)[C@H]1COCCO1 ZINC000338134440 373274951 /nfs/dbraw/zinc/27/49/51/373274951.db2.gz BZPCDJNZRJHYMM-SNVBAGLBSA-N 1 2 271.317 -1.660 20 0 CAADLO C[C@@H](NC(=O)C[N@@H+]1CCC[C@@]12CCNC2=O)C(=O)N(C)C ZINC000570981851 373275092 /nfs/dbraw/zinc/27/50/92/373275092.db2.gz YAQALAHOMJSNMW-YGRLFVJLSA-N 1 2 296.371 -1.066 20 0 CAADLO C[C@@H](NC(=O)C[N@H+]1CCC[C@@]12CCNC2=O)C(=O)N(C)C ZINC000570981851 373275095 /nfs/dbraw/zinc/27/50/95/373275095.db2.gz YAQALAHOMJSNMW-YGRLFVJLSA-N 1 2 296.371 -1.066 20 0 CAADLO CC(=O)N[C@@H](C)C(=O)NCCC[N@@H+]1CCNC(=O)C1 ZINC000338137381 373275580 /nfs/dbraw/zinc/27/55/80/373275580.db2.gz SXWCNQYSSZGVIZ-VIFPVBQESA-N 1 2 270.333 -1.551 20 0 CAADLO CC(=O)N[C@@H](C)C(=O)NCCC[N@H+]1CCNC(=O)C1 ZINC000338137381 373275586 /nfs/dbraw/zinc/27/55/86/373275586.db2.gz SXWCNQYSSZGVIZ-VIFPVBQESA-N 1 2 270.333 -1.551 20 0 CAADLO O=C(CN1CCCCC1=O)NCCC[N@@H+]1CCNC(=O)C1 ZINC000338134222 373275684 /nfs/dbraw/zinc/27/56/84/373275684.db2.gz NUMLGMHLDLOFEC-UHFFFAOYSA-N 1 2 296.371 -1.063 20 0 CAADLO O=C(CN1CCCCC1=O)NCCC[N@H+]1CCNC(=O)C1 ZINC000338134222 373275695 /nfs/dbraw/zinc/27/56/95/373275695.db2.gz NUMLGMHLDLOFEC-UHFFFAOYSA-N 1 2 296.371 -1.063 20 0 CAADLO O=C(NCC1([NH+]2CCOCC2)CC1)N[C@H]1COC[C@H]1O ZINC000637091742 373227798 /nfs/dbraw/zinc/22/77/98/373227798.db2.gz QXEHQVFJAGRYIO-WDEREUQCSA-N 1 2 285.344 -1.090 20 0 CAADLO COC(=O)CNC(=O)[C@H](C)[N@@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000338368306 373277393 /nfs/dbraw/zinc/27/73/93/373277393.db2.gz PSXQWFRZPCRWAP-LPEHRKFASA-N 1 2 272.301 -1.236 20 0 CAADLO COC(=O)CNC(=O)[C@H](C)[N@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000338368306 373277405 /nfs/dbraw/zinc/27/74/05/373277405.db2.gz PSXQWFRZPCRWAP-LPEHRKFASA-N 1 2 272.301 -1.236 20 0 CAADLO CC[NH+]1CCN(C(=O)C(=O)N[C@@H]2CCCN(C)C2=O)CC1 ZINC000354047493 373231482 /nfs/dbraw/zinc/23/14/82/373231482.db2.gz LPCIEBCFHKQRKW-LLVKDONJSA-N 1 2 296.371 -1.113 20 0 CAADLO CNS(=O)(=O)[C@@H]1CCC[N@H+](CCNS(C)(=O)=O)C1 ZINC000365284853 373231637 /nfs/dbraw/zinc/23/16/37/373231637.db2.gz XVFHABLHHHLGQM-SECBINFHSA-N 1 2 299.418 -1.451 20 0 CAADLO CNS(=O)(=O)[C@@H]1CCC[N@@H+](CCNS(C)(=O)=O)C1 ZINC000365284853 373231645 /nfs/dbraw/zinc/23/16/45/373231645.db2.gz XVFHABLHHHLGQM-SECBINFHSA-N 1 2 299.418 -1.451 20 0 CAADLO CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)C[NH+](C)C ZINC000617879863 373233926 /nfs/dbraw/zinc/23/39/26/373233926.db2.gz HNWLQDMLICKELT-SFYZADRCSA-N 1 2 250.320 -1.524 20 0 CAADLO CNS(=O)(=O)[C@@H]1CCC[N@@H+]([C@H](C)C(=O)NC(N)=O)C1 ZINC000369289013 373238122 /nfs/dbraw/zinc/23/81/22/373238122.db2.gz WKTBTNUFKPVESY-HTQZYQBOSA-N 1 2 292.361 -1.417 20 0 CAADLO CNS(=O)(=O)[C@@H]1CCC[N@H+]([C@H](C)C(=O)NC(N)=O)C1 ZINC000369289013 373238128 /nfs/dbraw/zinc/23/81/28/373238128.db2.gz WKTBTNUFKPVESY-HTQZYQBOSA-N 1 2 292.361 -1.417 20 0 CAADLO CNS(=O)(=O)[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)NC(N)=O)C1 ZINC000369289014 373239117 /nfs/dbraw/zinc/23/91/17/373239117.db2.gz WKTBTNUFKPVESY-JGVFFNPUSA-N 1 2 292.361 -1.417 20 0 CAADLO CNS(=O)(=O)[C@@H]1CCC[N@H+]([C@@H](C)C(=O)NC(N)=O)C1 ZINC000369289014 373239123 /nfs/dbraw/zinc/23/91/23/373239123.db2.gz WKTBTNUFKPVESY-JGVFFNPUSA-N 1 2 292.361 -1.417 20 0 CAADLO NC(=O)c1c[nH]c2nc[nH+]c(NC[C@@H](O)CO)c12 ZINC000621281079 373240293 /nfs/dbraw/zinc/24/02/93/373240293.db2.gz QPEYOTBZAVDDSY-RXMQYKEDSA-N 1 2 251.246 -1.227 20 0 CAADLO CN1C[C@@H](C(=O)N2CCC[N@H+](CC(N)=O)CC2)CC1=O ZINC000365584794 373240595 /nfs/dbraw/zinc/24/05/95/373240595.db2.gz GDBPZQYNFYWZAV-JTQLQIEISA-N 1 2 282.344 -1.516 20 0 CAADLO CN1C[C@@H](C(=O)N2CCC[N@@H+](CC(N)=O)CC2)CC1=O ZINC000365584794 373240604 /nfs/dbraw/zinc/24/06/04/373240604.db2.gz GDBPZQYNFYWZAV-JTQLQIEISA-N 1 2 282.344 -1.516 20 0 CAADLO CCN1C[C@H](C(=O)N2CCC[N@H+](CC(N)=O)CC2)CC1=O ZINC000365584763 373241325 /nfs/dbraw/zinc/24/13/25/373241325.db2.gz FSCIHAPLARVSPG-LLVKDONJSA-N 1 2 296.371 -1.126 20 0 CAADLO CCN1C[C@H](C(=O)N2CCC[N@@H+](CC(N)=O)CC2)CC1=O ZINC000365584763 373241335 /nfs/dbraw/zinc/24/13/35/373241335.db2.gz FSCIHAPLARVSPG-LLVKDONJSA-N 1 2 296.371 -1.126 20 0 CAADLO C[C@H](O)CCC[NH+]1CCN(S(N)(=O)=O)CC1 ZINC000336660465 373243114 /nfs/dbraw/zinc/24/31/14/373243114.db2.gz NMSXDGAMOIMHGT-VIFPVBQESA-N 1 2 251.352 -1.032 20 0 CAADLO C[N@@H+]1CCO[C@@H]2CN(C(=O)Cn3cnnn3)C[C@H]21 ZINC000329958089 373243904 /nfs/dbraw/zinc/24/39/04/373243904.db2.gz QKVGWZHKNDQPTQ-RKDXNWHRSA-N 1 2 252.278 -1.786 20 0 CAADLO C[N@H+]1CCO[C@@H]2CN(C(=O)Cn3cnnn3)C[C@H]21 ZINC000329958089 373243913 /nfs/dbraw/zinc/24/39/13/373243913.db2.gz QKVGWZHKNDQPTQ-RKDXNWHRSA-N 1 2 252.278 -1.786 20 0 CAADLO CN(CCNS(C)(=O)=O)C[C@@H](O)C[NH+]1CCOCC1 ZINC000336802042 373246169 /nfs/dbraw/zinc/24/61/69/373246169.db2.gz SJFBKQFXQJXTOW-LLVKDONJSA-N 1 2 295.405 -1.840 20 0 CAADLO CS(=O)(=O)N[C@H]1CC[N@@H+]([C@H]2CCCNC2=O)C1 ZINC000336718751 373246422 /nfs/dbraw/zinc/24/64/22/373246422.db2.gz XETGXAMMTWPDDW-IUCAKERBSA-N 1 2 261.347 -1.112 20 0 CAADLO CS(=O)(=O)N[C@H]1CC[N@H+]([C@H]2CCCNC2=O)C1 ZINC000336718751 373246431 /nfs/dbraw/zinc/24/64/31/373246431.db2.gz XETGXAMMTWPDDW-IUCAKERBSA-N 1 2 261.347 -1.112 20 0 CAADLO NS(=O)(=O)N1CC[NH+](CCN2C(=O)CCC2=O)CC1 ZINC000336797704 373246544 /nfs/dbraw/zinc/24/65/44/373246544.db2.gz BICVNFWUZQLZIT-UHFFFAOYSA-N 1 2 290.345 -2.044 20 0 CAADLO CS(=O)(=O)N1CC[NH+](CCN2C(=O)CCC2=O)CC1 ZINC000336798381 373247267 /nfs/dbraw/zinc/24/72/67/373247267.db2.gz DTVVLWWCQLDKGJ-UHFFFAOYSA-N 1 2 289.357 -1.287 20 0 CAADLO NS(=O)(=O)N1CC[NH+](C[C@H]2COCCO2)CC1 ZINC000336689306 373247780 /nfs/dbraw/zinc/24/77/80/373247780.db2.gz HKMUUUCNPRBNCL-VIFPVBQESA-N 1 2 265.335 -1.777 20 0 CAADLO C[N@H+](CCNS(C)(=O)=O)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000336789359 373247807 /nfs/dbraw/zinc/24/78/07/373247807.db2.gz JAQMBMLLHWKAON-VIFPVBQESA-N 1 2 299.418 -1.499 20 0 CAADLO C[N@@H+](CCNS(C)(=O)=O)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000336789359 373247813 /nfs/dbraw/zinc/24/78/13/373247813.db2.gz JAQMBMLLHWKAON-VIFPVBQESA-N 1 2 299.418 -1.499 20 0 CAADLO CC[N@@H+]1CCOC[C@@H]1C(=O)N1CC[C@@H]2OCC(=O)N[C@H]2C1 ZINC000637334051 373247855 /nfs/dbraw/zinc/24/78/55/373247855.db2.gz NDINJODMWQFATI-TUAOUCFPSA-N 1 2 297.355 -1.177 20 0 CAADLO CC[N@H+]1CCOC[C@@H]1C(=O)N1CC[C@@H]2OCC(=O)N[C@H]2C1 ZINC000637334051 373247859 /nfs/dbraw/zinc/24/78/59/373247859.db2.gz NDINJODMWQFATI-TUAOUCFPSA-N 1 2 297.355 -1.177 20 0 CAADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)N1CCN2C(=O)N=NC2C1 ZINC000637440910 373254783 /nfs/dbraw/zinc/25/47/83/373254783.db2.gz VZHQATYGXOJVQL-VIFPVBQESA-N 1 2 296.331 -1.161 20 0 CAADLO C[N@H+]1CCOC[C@@H]1CNC(=O)N1CCN2C(=O)N=NC2C1 ZINC000637440910 373254794 /nfs/dbraw/zinc/25/47/94/373254794.db2.gz VZHQATYGXOJVQL-VIFPVBQESA-N 1 2 296.331 -1.161 20 0 CAADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)N[C@@H]1CCOC[C@H]1O ZINC000637440020 373255080 /nfs/dbraw/zinc/25/50/80/373255080.db2.gz GFYWPXXJCQLAHW-HBNTYKKESA-N 1 2 273.333 -1.234 20 0 CAADLO C[N@H+]1CCOC[C@@H]1CNC(=O)N[C@@H]1CCOC[C@H]1O ZINC000637440020 373255081 /nfs/dbraw/zinc/25/50/81/373255081.db2.gz GFYWPXXJCQLAHW-HBNTYKKESA-N 1 2 273.333 -1.234 20 0 CAADLO C[C@@H]1CN(C(=O)NC[C@H]2COCC[N@@H+]2C)CC(=O)N1 ZINC000637442219 373255157 /nfs/dbraw/zinc/25/51/57/373255157.db2.gz POIFBGASJXCAAG-ZJUUUORDSA-N 1 2 270.333 -1.153 20 0 CAADLO C[C@@H]1CN(C(=O)NC[C@H]2COCC[N@H+]2C)CC(=O)N1 ZINC000637442219 373255165 /nfs/dbraw/zinc/25/51/65/373255165.db2.gz POIFBGASJXCAAG-ZJUUUORDSA-N 1 2 270.333 -1.153 20 0 CAADLO COC(=O)[C@@H]1CNC(=O)CN1CC[N@@H+]1CCOC[C@H]1C ZINC000337233755 373255399 /nfs/dbraw/zinc/25/53/99/373255399.db2.gz KPSANABDCCRWFA-MNOVXSKESA-N 1 2 285.344 -1.320 20 0 CAADLO COC(=O)[C@@H]1CNC(=O)CN1CC[N@H+]1CCOC[C@H]1C ZINC000337233755 373255408 /nfs/dbraw/zinc/25/54/08/373255408.db2.gz KPSANABDCCRWFA-MNOVXSKESA-N 1 2 285.344 -1.320 20 0 CAADLO O=C(C[N@@H+]1CCC[C@@H]2C(=O)NC[C@H]21)N1CCNC1=O ZINC000337209721 373255762 /nfs/dbraw/zinc/25/57/62/373255762.db2.gz BHEDDHFWEYIFFO-DTWKUNHWSA-N 1 2 266.301 -1.251 20 0 CAADLO O=C(C[N@H+]1CCC[C@@H]2C(=O)NC[C@H]21)N1CCNC1=O ZINC000337209721 373255776 /nfs/dbraw/zinc/25/57/76/373255776.db2.gz BHEDDHFWEYIFFO-DTWKUNHWSA-N 1 2 266.301 -1.251 20 0 CAADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)N1CCC[C@@](O)(CO)C1 ZINC000637440150 373255803 /nfs/dbraw/zinc/25/58/03/373255803.db2.gz GNAFYZHMSHFNJL-AAEUAGOBSA-N 1 2 287.360 -1.154 20 0 CAADLO C[N@H+]1CCOC[C@@H]1CNC(=O)N1CCC[C@@](O)(CO)C1 ZINC000637440150 373255814 /nfs/dbraw/zinc/25/58/14/373255814.db2.gz GNAFYZHMSHFNJL-AAEUAGOBSA-N 1 2 287.360 -1.154 20 0 CAADLO C[C@H]1CN(C(=O)NC[C@@H]2COCC[N@@H+]2C)CC(=O)N1 ZINC000637442218 373256277 /nfs/dbraw/zinc/25/62/77/373256277.db2.gz POIFBGASJXCAAG-VHSXEESVSA-N 1 2 270.333 -1.153 20 0 CAADLO C[C@H]1CN(C(=O)NC[C@@H]2COCC[N@H+]2C)CC(=O)N1 ZINC000637442218 373256281 /nfs/dbraw/zinc/25/62/81/373256281.db2.gz POIFBGASJXCAAG-VHSXEESVSA-N 1 2 270.333 -1.153 20 0 CAADLO C[N@@H+]1CCOC[C@H]1CNC(=O)N1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000637441752 373256718 /nfs/dbraw/zinc/25/67/18/373256718.db2.gz OMPRMGXOPHSVJP-BBBLOLIVSA-N 1 2 296.327 -1.769 20 0 CAADLO C[N@H+]1CCOC[C@H]1CNC(=O)N1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000637441752 373256723 /nfs/dbraw/zinc/25/67/23/373256723.db2.gz OMPRMGXOPHSVJP-BBBLOLIVSA-N 1 2 296.327 -1.769 20 0 CAADLO C[N@@H+]1CCOC[C@H]1CNC(=O)N1CCC[C@@](O)(CO)C1 ZINC000637440153 373257291 /nfs/dbraw/zinc/25/72/91/373257291.db2.gz GNAFYZHMSHFNJL-YPMHNXCESA-N 1 2 287.360 -1.154 20 0 CAADLO C[N@H+]1CCOC[C@H]1CNC(=O)N1CCC[C@@](O)(CO)C1 ZINC000637440153 373257296 /nfs/dbraw/zinc/25/72/96/373257296.db2.gz GNAFYZHMSHFNJL-YPMHNXCESA-N 1 2 287.360 -1.154 20 0 CAADLO C[C@H](CC(N)=O)NC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000637442864 373257361 /nfs/dbraw/zinc/25/73/61/373257361.db2.gz UQCWAWVWGTYOAA-BDAKNGLRSA-N 1 2 258.322 -1.120 20 0 CAADLO C[C@H](CC(N)=O)NC(=O)NC[C@H]1COCC[N@H+]1C ZINC000637442864 373257365 /nfs/dbraw/zinc/25/73/65/373257365.db2.gz UQCWAWVWGTYOAA-BDAKNGLRSA-N 1 2 258.322 -1.120 20 0 CAADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)NC[C@]1(O)CCOC1 ZINC000637442750 373258225 /nfs/dbraw/zinc/25/82/25/373258225.db2.gz SEEHQHUJWFFQOO-CMPLNLGQSA-N 1 2 273.333 -1.232 20 0 CAADLO C[N@H+]1CCOC[C@@H]1CNC(=O)NC[C@]1(O)CCOC1 ZINC000637442750 373258231 /nfs/dbraw/zinc/25/82/31/373258231.db2.gz SEEHQHUJWFFQOO-CMPLNLGQSA-N 1 2 273.333 -1.232 20 0 CAADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)N1CCN2C(=O)NC[C@@H]2C1 ZINC000637444354 373258355 /nfs/dbraw/zinc/25/83/55/373258355.db2.gz QQTMXYVMWPHRMR-MNOVXSKESA-N 1 2 297.359 -1.264 20 0 CAADLO C[N@H+]1CCOC[C@@H]1CNC(=O)N1CCN2C(=O)NC[C@@H]2C1 ZINC000637444354 373258364 /nfs/dbraw/zinc/25/83/64/373258364.db2.gz QQTMXYVMWPHRMR-MNOVXSKESA-N 1 2 297.359 -1.264 20 0 CAADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)N1CCOC[C@@H](O)C1 ZINC000637443332 373258574 /nfs/dbraw/zinc/25/85/74/373258574.db2.gz XKDNGHMDBUHGPX-QWRGUYRKSA-N 1 2 273.333 -1.280 20 0 CAADLO C[N@H+]1CCOC[C@@H]1CNC(=O)N1CCOC[C@@H](O)C1 ZINC000637443332 373258581 /nfs/dbraw/zinc/25/85/81/373258581.db2.gz XKDNGHMDBUHGPX-QWRGUYRKSA-N 1 2 273.333 -1.280 20 0 CAADLO C[N@@H+]1CCOC[C@H]1CNC(=O)N1CCN2C(=O)NC[C@H]2C1 ZINC000637444356 373258687 /nfs/dbraw/zinc/25/86/87/373258687.db2.gz QQTMXYVMWPHRMR-WDEREUQCSA-N 1 2 297.359 -1.264 20 0 CAADLO C[N@H+]1CCOC[C@H]1CNC(=O)N1CCN2C(=O)NC[C@H]2C1 ZINC000637444356 373258694 /nfs/dbraw/zinc/25/86/94/373258694.db2.gz QQTMXYVMWPHRMR-WDEREUQCSA-N 1 2 297.359 -1.264 20 0 CAADLO C[N@@H+]1CCOC[C@H]1CNC(=O)N1C[C@@H](O)C[C@H]1CO ZINC000637443213 373259222 /nfs/dbraw/zinc/25/92/22/373259222.db2.gz LDGRNYNQNDGBED-AXFHLTTASA-N 1 2 273.333 -1.546 20 0 CAADLO C[N@H+]1CCOC[C@H]1CNC(=O)N1C[C@@H](O)C[C@H]1CO ZINC000637443213 373259226 /nfs/dbraw/zinc/25/92/26/373259226.db2.gz LDGRNYNQNDGBED-AXFHLTTASA-N 1 2 273.333 -1.546 20 0 CAADLO C[N@@H+]1CCOC[C@H]1CNC(=O)N1CCN2C(=O)NC[C@@H]2C1 ZINC000637444353 373259310 /nfs/dbraw/zinc/25/93/10/373259310.db2.gz QQTMXYVMWPHRMR-GHMZBOCLSA-N 1 2 297.359 -1.264 20 0 CAADLO C[N@H+]1CCOC[C@H]1CNC(=O)N1CCN2C(=O)NC[C@@H]2C1 ZINC000637444353 373259314 /nfs/dbraw/zinc/25/93/14/373259314.db2.gz QQTMXYVMWPHRMR-GHMZBOCLSA-N 1 2 297.359 -1.264 20 0 CAADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)N1CCO[C@@H](C(N)=O)C1 ZINC000637445882 373259351 /nfs/dbraw/zinc/25/93/51/373259351.db2.gz MRHPUZLDIIYDHB-VHSXEESVSA-N 1 2 286.332 -1.787 20 0 CAADLO C[N@H+]1CCOC[C@@H]1CNC(=O)N1CCO[C@@H](C(N)=O)C1 ZINC000637445882 373259353 /nfs/dbraw/zinc/25/93/53/373259353.db2.gz MRHPUZLDIIYDHB-VHSXEESVSA-N 1 2 286.332 -1.787 20 0 CAADLO CN(CCOCCO)C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000637443299 373259408 /nfs/dbraw/zinc/25/94/08/373259408.db2.gz WYIWMQJTXCWQAD-NSHDSACASA-N 1 2 275.349 -1.033 20 0 CAADLO CN(CCOCCO)C(=O)NC[C@H]1COCC[N@H+]1C ZINC000637443299 373259410 /nfs/dbraw/zinc/25/94/10/373259410.db2.gz WYIWMQJTXCWQAD-NSHDSACASA-N 1 2 275.349 -1.033 20 0 CAADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)N1CCO[C@H](C(N)=O)C1 ZINC000637445881 373259417 /nfs/dbraw/zinc/25/94/17/373259417.db2.gz MRHPUZLDIIYDHB-UWVGGRQHSA-N 1 2 286.332 -1.787 20 0 CAADLO C[N@H+]1CCOC[C@@H]1CNC(=O)N1CCO[C@H](C(N)=O)C1 ZINC000637445881 373259420 /nfs/dbraw/zinc/25/94/20/373259420.db2.gz MRHPUZLDIIYDHB-UWVGGRQHSA-N 1 2 286.332 -1.787 20 0 CAADLO CN(CCC(N)=O)C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000637443842 373259535 /nfs/dbraw/zinc/25/95/35/373259535.db2.gz ZZFXPPDABKPCFE-SECBINFHSA-N 1 2 258.322 -1.166 20 0 CAADLO CN(CCC(N)=O)C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000637443842 373259539 /nfs/dbraw/zinc/25/95/39/373259539.db2.gz ZZFXPPDABKPCFE-SECBINFHSA-N 1 2 258.322 -1.166 20 0 CAADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)NC[C@@]1(O)CCOC1 ZINC000637442751 373259618 /nfs/dbraw/zinc/25/96/18/373259618.db2.gz SEEHQHUJWFFQOO-JQWIXIFHSA-N 1 2 273.333 -1.232 20 0 CAADLO C[N@H+]1CCOC[C@@H]1CNC(=O)NC[C@@]1(O)CCOC1 ZINC000637442751 373259622 /nfs/dbraw/zinc/25/96/22/373259622.db2.gz SEEHQHUJWFFQOO-JQWIXIFHSA-N 1 2 273.333 -1.232 20 0 CAADLO COCC[N@H+](CCNS(C)(=O)=O)CC(=O)N(C)C ZINC000337508664 373262551 /nfs/dbraw/zinc/26/25/51/373262551.db2.gz SGPMJGTTWFITNB-UHFFFAOYSA-N 1 2 281.378 -1.428 20 0 CAADLO COCC[N@@H+](CCNS(C)(=O)=O)CC(=O)N(C)C ZINC000337508664 373262556 /nfs/dbraw/zinc/26/25/56/373262556.db2.gz SGPMJGTTWFITNB-UHFFFAOYSA-N 1 2 281.378 -1.428 20 0 CAADLO C[C@@H]1CO[C@H](CO)CN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000337653495 373264050 /nfs/dbraw/zinc/26/40/50/373264050.db2.gz DBNAUFIPBAWSBQ-VWYCJHECSA-N 1 2 258.318 -1.075 20 0 CAADLO C[C@@H]1CO[C@H](CO)CN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000337653495 373264058 /nfs/dbraw/zinc/26/40/58/373264058.db2.gz DBNAUFIPBAWSBQ-VWYCJHECSA-N 1 2 258.318 -1.075 20 0 CAADLO CC1(C)NC(=O)N(CCC[N@@H+]2CCO[C@H](C(N)=O)C2)C1=O ZINC000051104302 373264293 /nfs/dbraw/zinc/26/42/93/373264293.db2.gz AAONYWIWHNZHRV-VIFPVBQESA-N 1 2 298.343 -1.107 20 0 CAADLO CC1(C)NC(=O)N(CCC[N@H+]2CCO[C@H](C(N)=O)C2)C1=O ZINC000051104302 373264300 /nfs/dbraw/zinc/26/43/00/373264300.db2.gz AAONYWIWHNZHRV-VIFPVBQESA-N 1 2 298.343 -1.107 20 0 CAADLO C[C@@H]1CO[C@@H](CO)CN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000337653491 373264767 /nfs/dbraw/zinc/26/47/67/373264767.db2.gz DBNAUFIPBAWSBQ-MXWKQRLJSA-N 1 2 258.318 -1.075 20 0 CAADLO C[C@@H]1CO[C@@H](CO)CN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000337653491 373264771 /nfs/dbraw/zinc/26/47/71/373264771.db2.gz DBNAUFIPBAWSBQ-MXWKQRLJSA-N 1 2 258.318 -1.075 20 0 CAADLO CC[N@@H+]1CCO[C@@H](C(=O)N2CCO[C@@H](c3nn[nH]n3)C2)C1 ZINC000365768590 373267251 /nfs/dbraw/zinc/26/72/51/373267251.db2.gz HRPNJHSOHQZASY-NXEZZACHSA-N 1 2 296.331 -1.180 20 0 CAADLO CC[N@H+]1CCO[C@@H](C(=O)N2CCO[C@@H](c3nn[nH]n3)C2)C1 ZINC000365768590 373267258 /nfs/dbraw/zinc/26/72/58/373267258.db2.gz HRPNJHSOHQZASY-NXEZZACHSA-N 1 2 296.331 -1.180 20 0 CAADLO COC(=O)C[C@@H]1C(=O)NCC[N@H+]1C[C@H](O)Cn1cccn1 ZINC000051234101 373269817 /nfs/dbraw/zinc/26/98/17/373269817.db2.gz MKJVTQOYZBYFFV-WDEREUQCSA-N 1 2 296.327 -1.393 20 0 CAADLO COC(=O)C[C@@H]1C(=O)NCC[N@@H+]1C[C@H](O)Cn1cccn1 ZINC000051234101 373269820 /nfs/dbraw/zinc/26/98/20/373269820.db2.gz MKJVTQOYZBYFFV-WDEREUQCSA-N 1 2 296.327 -1.393 20 0 CAADLO O=C(CNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1)NCCO ZINC000366377386 373288801 /nfs/dbraw/zinc/28/88/01/373288801.db2.gz RPOYHPRPKYHPMX-GFCCVEGCSA-N 1 2 299.371 -1.146 20 0 CAADLO O=C(CNC(=O)[C@H]1COCC[N@H+]1C1CCCC1)NCCO ZINC000366377386 373288810 /nfs/dbraw/zinc/28/88/10/373288810.db2.gz RPOYHPRPKYHPMX-GFCCVEGCSA-N 1 2 299.371 -1.146 20 0 CAADLO COC[C@@H](CCO)NC(=O)C[N@H+](C)CC(=O)NC(C)C ZINC000339439183 373289421 /nfs/dbraw/zinc/28/94/21/373289421.db2.gz SAQGYWIDEWMPJN-LLVKDONJSA-N 1 2 289.376 -1.044 20 0 CAADLO COC[C@@H](CCO)NC(=O)C[N@@H+](C)CC(=O)NC(C)C ZINC000339439183 373289434 /nfs/dbraw/zinc/28/94/34/373289434.db2.gz SAQGYWIDEWMPJN-LLVKDONJSA-N 1 2 289.376 -1.044 20 0 CAADLO O=C(CCn1ccnn1)N[C@@H](CO)C[NH+]1CCOCC1 ZINC000339441889 373289807 /nfs/dbraw/zinc/28/98/07/373289807.db2.gz SVMAPVFTUJNSHB-LLVKDONJSA-N 1 2 283.332 -1.523 20 0 CAADLO COCCCNC(=O)C(=O)N(C)CC[NH+]1CCOCC1 ZINC000339494006 373292198 /nfs/dbraw/zinc/29/21/98/373292198.db2.gz RUCGLEKVUBAEGE-UHFFFAOYSA-N 1 2 287.360 -1.070 20 0 CAADLO CC(C)(CNC(=O)C(=O)N1CC(CO)C1)[NH+]1CCOCC1 ZINC000339624958 373294035 /nfs/dbraw/zinc/29/40/35/373294035.db2.gz SZLRDSLTYZQUTF-UHFFFAOYSA-N 1 2 299.371 -1.336 20 0 CAADLO C[C@]1(C(N)=O)CCN(C(=O)C(=O)NCCn2cc[nH+]c2)C1 ZINC000339685803 373296138 /nfs/dbraw/zinc/29/61/38/373296138.db2.gz HRMMEPQSMBTOQI-ZDUSSCGKSA-N 1 2 293.327 -1.277 20 0 CAADLO CN(CCO)C(=O)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000339632464 373296385 /nfs/dbraw/zinc/29/63/85/373296385.db2.gz ZHAMNXXJXSTLJT-UHFFFAOYSA-N 1 2 287.360 -1.336 20 0 CAADLO CN1CCC[C@H](NC(=O)C(=O)NCCn2cc[nH+]c2)C1=O ZINC000339709263 373296501 /nfs/dbraw/zinc/29/65/01/373296501.db2.gz AKHITIQBHCBYDC-JTQLQIEISA-N 1 2 293.327 -1.264 20 0 CAADLO CCN(CCOCCO)C(=O)C(=O)NCCn1cc[nH+]c1 ZINC000339708007 373296868 /nfs/dbraw/zinc/29/68/68/373296868.db2.gz HXEDLOPOLKJCEG-UHFFFAOYSA-N 1 2 298.343 -1.143 20 0 CAADLO C[C@H]1CN(C(=O)C(=O)NCCn2cc[nH+]c2)C[C@H](CO)O1 ZINC000339713012 373297030 /nfs/dbraw/zinc/29/70/30/373297030.db2.gz VCNVFBXJWMYUQE-WDEREUQCSA-N 1 2 296.327 -1.393 20 0 CAADLO C[C@@]1(C(N)=O)CCN(C(=O)C(=O)NCCn2cc[nH+]c2)C1 ZINC000339685802 373297202 /nfs/dbraw/zinc/29/72/02/373297202.db2.gz HRMMEPQSMBTOQI-CYBMUJFWSA-N 1 2 293.327 -1.277 20 0 CAADLO O=C(NCCn1cc[nH+]c1)C(=O)N1CCC[C@@H]1CO ZINC000339708028 373297245 /nfs/dbraw/zinc/29/72/45/373297245.db2.gz IPUZVRFEYXCDQC-SNVBAGLBSA-N 1 2 266.301 -1.017 20 0 CAADLO CC(=O)NCC(=O)NCC(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000366488824 373298534 /nfs/dbraw/zinc/29/85/34/373298534.db2.gz BQUDQCSMOPVWNE-LLVKDONJSA-N 1 2 297.359 -2.645 20 0 CAADLO CC(=O)NCC(=O)NCC(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000366488825 373298572 /nfs/dbraw/zinc/29/85/72/373298572.db2.gz BQUDQCSMOPVWNE-NSHDSACASA-N 1 2 297.359 -2.645 20 0 CAADLO C[N@H+](CC(N)=O)CC(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000051827835 373301508 /nfs/dbraw/zinc/30/15/08/373301508.db2.gz HBPOURYJOREXPH-UHFFFAOYSA-N 1 2 282.344 -1.516 20 0 CAADLO C[N@@H+](CC(N)=O)CC(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000051827835 373301513 /nfs/dbraw/zinc/30/15/13/373301513.db2.gz HBPOURYJOREXPH-UHFFFAOYSA-N 1 2 282.344 -1.516 20 0 CAADLO CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@H](S(N)(=O)=O)C1 ZINC000339843664 373301559 /nfs/dbraw/zinc/30/15/59/373301559.db2.gz WDTVMPIYAKSRJN-YUMQZZPRSA-N 1 2 292.361 -1.417 20 0 CAADLO CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@H](S(N)(=O)=O)C1 ZINC000339843664 373301568 /nfs/dbraw/zinc/30/15/68/373301568.db2.gz WDTVMPIYAKSRJN-YUMQZZPRSA-N 1 2 292.361 -1.417 20 0 CAADLO COC[C@@H](CO)NC(=O)NCC[NH+]1CCOCC1 ZINC000353145305 373301942 /nfs/dbraw/zinc/30/19/42/373301942.db2.gz UOCLXAZTSRKKIC-SNVBAGLBSA-N 1 2 261.322 -1.375 20 0 CAADLO CCNC(=O)NC(=O)C[N@@H+]1CC[C@H](S(N)(=O)=O)C1 ZINC000339839943 373302145 /nfs/dbraw/zinc/30/21/45/373302145.db2.gz HITOECFJAIAANC-ZETCQYMHSA-N 1 2 278.334 -1.805 20 0 CAADLO CCNC(=O)NC(=O)C[N@H+]1CC[C@H](S(N)(=O)=O)C1 ZINC000339839943 373302153 /nfs/dbraw/zinc/30/21/53/373302153.db2.gz HITOECFJAIAANC-ZETCQYMHSA-N 1 2 278.334 -1.805 20 0 CAADLO CCCNC(=O)NC(=O)C[N@@H+]1CC[C@@H](S(N)(=O)=O)C1 ZINC000339848420 373302283 /nfs/dbraw/zinc/30/22/83/373302283.db2.gz SWEYZXCQBLCYBA-MRVPVSSYSA-N 1 2 292.361 -1.415 20 0 CAADLO CCCNC(=O)NC(=O)C[N@H+]1CC[C@@H](S(N)(=O)=O)C1 ZINC000339848420 373302291 /nfs/dbraw/zinc/30/22/91/373302291.db2.gz SWEYZXCQBLCYBA-MRVPVSSYSA-N 1 2 292.361 -1.415 20 0 CAADLO COCCCNC(=O)[C@H](C)[N@@H+]1CC[C@H](S(N)(=O)=O)C1 ZINC000339847612 373302895 /nfs/dbraw/zinc/30/28/95/373302895.db2.gz YQOAACCJJYKHLR-UWVGGRQHSA-N 1 2 293.389 -1.110 20 0 CAADLO COCCCNC(=O)[C@H](C)[N@H+]1CC[C@H](S(N)(=O)=O)C1 ZINC000339847612 373302899 /nfs/dbraw/zinc/30/28/99/373302899.db2.gz YQOAACCJJYKHLR-UWVGGRQHSA-N 1 2 293.389 -1.110 20 0 CAADLO C[N@H+](CC(N)=O)CC(=O)N1CCN(c2cnccn2)CC1 ZINC000052831137 373311791 /nfs/dbraw/zinc/31/17/91/373311791.db2.gz GYWKHJTVGRSDMM-UHFFFAOYSA-N 1 2 292.343 -1.458 20 0 CAADLO C[N@@H+](CC(N)=O)CC(=O)N1CCN(c2cnccn2)CC1 ZINC000052831137 373311803 /nfs/dbraw/zinc/31/18/03/373311803.db2.gz GYWKHJTVGRSDMM-UHFFFAOYSA-N 1 2 292.343 -1.458 20 0 CAADLO CN1N=C(C(=O)NCCC[N@@H+]2CCNC(=O)C2)CCC1=O ZINC000269884866 373330299 /nfs/dbraw/zinc/33/02/99/373330299.db2.gz BLUBJYLWFAFIMC-UHFFFAOYSA-N 1 2 295.343 -1.467 20 0 CAADLO CN1N=C(C(=O)NCCC[N@H+]2CCNC(=O)C2)CCC1=O ZINC000269884866 373330308 /nfs/dbraw/zinc/33/03/08/373330308.db2.gz BLUBJYLWFAFIMC-UHFFFAOYSA-N 1 2 295.343 -1.467 20 0 CAADLO COC(=O)CCC[N@@H+]1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC000267489159 373322176 /nfs/dbraw/zinc/32/21/76/373322176.db2.gz VLEPACNUTHPVMJ-SECBINFHSA-N 1 2 269.301 -1.418 20 0 CAADLO COC(=O)CCC[N@H+]1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC000267489159 373322187 /nfs/dbraw/zinc/32/21/87/373322187.db2.gz VLEPACNUTHPVMJ-SECBINFHSA-N 1 2 269.301 -1.418 20 0 CAADLO CN1CCO[C@H](CS(=O)(=O)N2CC[NH+](C)CC2)C1 ZINC000631634866 373322277 /nfs/dbraw/zinc/32/22/77/373322277.db2.gz FXRMVVWINIZAGE-NSHDSACASA-N 1 2 277.390 -1.106 20 0 CAADLO COC(=O)CNC(=O)C[N@H+](CC(N)=O)C(C)(C)C ZINC000269272184 373327581 /nfs/dbraw/zinc/32/75/81/373327581.db2.gz JUUIPSPYDYXNIU-UHFFFAOYSA-N 1 2 259.306 -1.139 20 0 CAADLO COC(=O)CNC(=O)C[N@@H+](CC(N)=O)C(C)(C)C ZINC000269272184 373327597 /nfs/dbraw/zinc/32/75/97/373327597.db2.gz JUUIPSPYDYXNIU-UHFFFAOYSA-N 1 2 259.306 -1.139 20 0 CAADLO CC[NH+]1CCN(C(=O)C2(S(N)(=O)=O)CC2)CC1 ZINC000563234750 373282553 /nfs/dbraw/zinc/28/25/53/373282553.db2.gz JCPDPHYSSBNYBL-UHFFFAOYSA-N 1 2 261.347 -1.028 20 0 CAADLO CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)[C@H](C)[NH+](C)C ZINC000617885343 373284283 /nfs/dbraw/zinc/28/42/83/373284283.db2.gz RCSUJNYCKIBJNN-DJLDLDEBSA-N 1 2 264.347 -1.135 20 0 CAADLO C[C@@H](O)CNC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000339188285 373286509 /nfs/dbraw/zinc/28/65/09/373286509.db2.gz IDPKRXFCEUWNFC-NEPJUHHUSA-N 1 2 299.371 -1.336 20 0 CAADLO C[C@@H](C(=O)NCCn1cc[nH+]c1)N1CCNCC1=O ZINC000638051068 373374301 /nfs/dbraw/zinc/37/43/01/373374301.db2.gz BLYVLFONWCUNCU-JTQLQIEISA-N 1 2 265.317 -1.180 20 0 CAADLO Cn1cc(C[N@@H+]2CC(=O)NCC2(C)C)c(=O)n(C)c1=O ZINC000282695382 373376378 /nfs/dbraw/zinc/37/63/78/373376378.db2.gz JIABVAFLBSTUDQ-UHFFFAOYSA-N 1 2 280.328 -1.206 20 0 CAADLO Cn1cc(C[N@H+]2CC(=O)NCC2(C)C)c(=O)n(C)c1=O ZINC000282695382 373376385 /nfs/dbraw/zinc/37/63/85/373376385.db2.gz JIABVAFLBSTUDQ-UHFFFAOYSA-N 1 2 280.328 -1.206 20 0 CAADLO Cn1cc(C(=O)NCCC[N@@H+]2CCNC(=O)C2)cn1 ZINC000269924061 373331299 /nfs/dbraw/zinc/33/12/99/373331299.db2.gz NQXFPYZOMNYTEF-UHFFFAOYSA-N 1 2 265.317 -1.028 20 0 CAADLO Cn1cc(C(=O)NCCC[N@H+]2CCNC(=O)C2)cn1 ZINC000269924061 373331308 /nfs/dbraw/zinc/33/13/08/373331308.db2.gz NQXFPYZOMNYTEF-UHFFFAOYSA-N 1 2 265.317 -1.028 20 0 CAADLO O=C(Cn1ccccc1=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000269576290 373331954 /nfs/dbraw/zinc/33/19/54/373331954.db2.gz WJAHPSIJTCSCDL-GFCCVEGCSA-N 1 2 276.340 -1.036 20 0 CAADLO C[C@@H](C(=O)N(CC(N)=O)CC(N)=O)[NH+]1CCSCC1 ZINC000269697992 373332409 /nfs/dbraw/zinc/33/24/09/373332409.db2.gz PZISICHXJGNMPE-QMMMGPOBSA-N 1 2 288.373 -1.777 20 0 CAADLO CCCNC(=O)NC(=O)C[N@@H+]1CC[C@@H](NC(N)=O)C1 ZINC000270607918 373333544 /nfs/dbraw/zinc/33/35/44/373333544.db2.gz HULJCVFUFAQHKH-MRVPVSSYSA-N 1 2 271.321 -1.035 20 0 CAADLO CCCNC(=O)NC(=O)C[N@H+]1CC[C@@H](NC(N)=O)C1 ZINC000270607918 373333571 /nfs/dbraw/zinc/33/35/71/373333571.db2.gz HULJCVFUFAQHKH-MRVPVSSYSA-N 1 2 271.321 -1.035 20 0 CAADLO CCOC(=O)CN(C)C(=O)C[N@@H+]1CC[C@@H](NC(N)=O)C1 ZINC000270578789 373333807 /nfs/dbraw/zinc/33/38/07/373333807.db2.gz CIQBMGHPBCUFBY-SECBINFHSA-N 1 2 286.332 -1.250 20 0 CAADLO CCOC(=O)CN(C)C(=O)C[N@H+]1CC[C@@H](NC(N)=O)C1 ZINC000270578789 373333811 /nfs/dbraw/zinc/33/38/11/373333811.db2.gz CIQBMGHPBCUFBY-SECBINFHSA-N 1 2 286.332 -1.250 20 0 CAADLO COCC[NH+]1CCN(C(=O)[C@@H](C)N2CCNCC2=O)CC1 ZINC000638056890 373377152 /nfs/dbraw/zinc/37/71/52/373377152.db2.gz OGWOHKZYLWSAOX-GFCCVEGCSA-N 1 2 298.387 -1.403 20 0 CAADLO Cn1cnc(C(=O)NCCC[N@@H+]2CCNC(=O)C2)c1 ZINC000271047734 373336507 /nfs/dbraw/zinc/33/65/07/373336507.db2.gz SGPMHYJYVUNOBC-UHFFFAOYSA-N 1 2 265.317 -1.028 20 0 CAADLO Cn1cnc(C(=O)NCCC[N@H+]2CCNC(=O)C2)c1 ZINC000271047734 373336512 /nfs/dbraw/zinc/33/65/12/373336512.db2.gz SGPMHYJYVUNOBC-UHFFFAOYSA-N 1 2 265.317 -1.028 20 0 CAADLO CNC(=O)NC(=O)CC[N@@H+]1CCSC[C@@H]1C(N)=O ZINC000271431222 373337721 /nfs/dbraw/zinc/33/77/21/373337721.db2.gz ABLJIWSKJSQSBN-SSDOTTSWSA-N 1 2 274.346 -1.265 20 0 CAADLO CNC(=O)NC(=O)CC[N@H+]1CCSC[C@@H]1C(N)=O ZINC000271431222 373337734 /nfs/dbraw/zinc/33/77/34/373337734.db2.gz ABLJIWSKJSQSBN-SSDOTTSWSA-N 1 2 274.346 -1.265 20 0 CAADLO CN1CC[N@H+](CCCOC(=O)NC(N)=O)CC1=O ZINC000271412346 373338130 /nfs/dbraw/zinc/33/81/30/373338130.db2.gz WOXJIMVVEDHVFV-UHFFFAOYSA-N 1 2 258.278 -1.045 20 0 CAADLO CN1CC[N@@H+](CCCOC(=O)NC(N)=O)CC1=O ZINC000271412346 373338137 /nfs/dbraw/zinc/33/81/37/373338137.db2.gz WOXJIMVVEDHVFV-UHFFFAOYSA-N 1 2 258.278 -1.045 20 0 CAADLO C[C@H](CN1CCOCC1)NC(=O)[C@@H](C)N1CC[NH2+]CC1=O ZINC000638068504 373377457 /nfs/dbraw/zinc/37/74/57/373377457.db2.gz CDVDUTOJYCOVFV-VXGBXAGGSA-N 1 2 298.387 -1.356 20 0 CAADLO O=C(CCn1cc[nH+]c1)NCCN1CCNC(=O)C1 ZINC000272807021 373343094 /nfs/dbraw/zinc/34/30/94/373343094.db2.gz VPDLZPXZZGDHDA-UHFFFAOYSA-N 1 2 265.317 -1.179 20 0 CAADLO CNC(=O)NC(=O)C[N@@H+]1CC[C@@H](NC(=O)NC2CC2)C1 ZINC000273914760 373345044 /nfs/dbraw/zinc/34/50/44/373345044.db2.gz CXFHEHZAKHMWLF-SECBINFHSA-N 1 2 283.332 -1.022 20 0 CAADLO CNC(=O)NC(=O)C[N@H+]1CC[C@@H](NC(=O)NC2CC2)C1 ZINC000273914760 373345055 /nfs/dbraw/zinc/34/50/55/373345055.db2.gz CXFHEHZAKHMWLF-SECBINFHSA-N 1 2 283.332 -1.022 20 0 CAADLO CCN1CC[N@H+](Cc2cn(C)c(=O)n(C)c2=O)CC1=O ZINC000273501507 373346155 /nfs/dbraw/zinc/34/61/55/373346155.db2.gz PIBCKGBPTXKPOW-UHFFFAOYSA-N 1 2 280.328 -1.252 20 0 CAADLO CCN1CC[N@@H+](Cc2cn(C)c(=O)n(C)c2=O)CC1=O ZINC000273501507 373346162 /nfs/dbraw/zinc/34/61/62/373346162.db2.gz PIBCKGBPTXKPOW-UHFFFAOYSA-N 1 2 280.328 -1.252 20 0 CAADLO CNC(=O)NC(=O)CC[N@@H+]1CCC[C@H](O)[C@@H]1C(=O)OC ZINC000275533632 373347837 /nfs/dbraw/zinc/34/78/37/373347837.db2.gz KRYCCDHJYJQXLN-WCBMZHEXSA-N 1 2 287.316 -1.170 20 0 CAADLO CNC(=O)NC(=O)CC[N@H+]1CCC[C@H](O)[C@@H]1C(=O)OC ZINC000275533632 373347843 /nfs/dbraw/zinc/34/78/43/373347843.db2.gz KRYCCDHJYJQXLN-WCBMZHEXSA-N 1 2 287.316 -1.170 20 0 CAADLO Cn1nccc1S(=O)(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000274189219 373348161 /nfs/dbraw/zinc/34/81/61/373348161.db2.gz RBDJDMMZBZGEBE-JTQLQIEISA-N 1 2 285.373 -1.302 20 0 CAADLO C[C@@H](C(=O)N(C)CC(=O)N(C)C)N1CC[NH2+]CC1=O ZINC000637884806 373356048 /nfs/dbraw/zinc/35/60/48/373356048.db2.gz GJBGWHHFROPKJL-VIFPVBQESA-N 1 2 270.333 -1.647 20 0 CAADLO C[C@H](C(=O)N1CCNC(=O)C1)N1CC[NH2+]CC1=O ZINC000637880165 373356235 /nfs/dbraw/zinc/35/62/35/373356235.db2.gz CWSKQSSFAXKXLR-MRVPVSSYSA-N 1 2 254.290 -2.235 20 0 CAADLO CC(=O)NCCNC(=O)[C@@H](C)N1CC[NH2+]CC1=O ZINC000637885334 373356899 /nfs/dbraw/zinc/35/68/99/373356899.db2.gz UOQWSZPSVKMUMJ-MRVPVSSYSA-N 1 2 256.306 -1.941 20 0 CAADLO COCCN(CCOC)C(=O)[C@@H](C)N1CC[NH2+]CC1=O ZINC000637869445 373356972 /nfs/dbraw/zinc/35/69/72/373356972.db2.gz LQSAQKFYJSIFSW-LLVKDONJSA-N 1 2 287.360 -1.072 20 0 CAADLO CC(C)C(=O)NCCNC(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000637887691 373357265 /nfs/dbraw/zinc/35/72/65/373357265.db2.gz XIKJLICINFIVCF-JTQLQIEISA-N 1 2 284.360 -1.305 20 0 CAADLO COCCN(CCOC)C(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000637869446 373357382 /nfs/dbraw/zinc/35/73/82/373357382.db2.gz LQSAQKFYJSIFSW-NSHDSACASA-N 1 2 287.360 -1.072 20 0 CAADLO C[C@H](C(=O)NCCCN1CCCC1=O)N1CC[NH2+]CC1=O ZINC000637870727 373357635 /nfs/dbraw/zinc/35/76/35/373357635.db2.gz JEOHYIBFOOPDIB-LLVKDONJSA-N 1 2 296.371 -1.065 20 0 CAADLO CC(=O)NCCNC(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000637885337 373357945 /nfs/dbraw/zinc/35/79/45/373357945.db2.gz UOQWSZPSVKMUMJ-QMMMGPOBSA-N 1 2 256.306 -1.941 20 0 CAADLO COCCNC(=O)CNC(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000637897623 373359087 /nfs/dbraw/zinc/35/90/87/373359087.db2.gz XHAKSZNBYPUZRB-VIFPVBQESA-N 1 2 286.332 -2.315 20 0 CAADLO C[C@H](C(=O)NCC(=O)N(C)C)N1CC[NH2+]CC1=O ZINC000637890419 373359138 /nfs/dbraw/zinc/35/91/38/373359138.db2.gz UONPXGWGXCHCSM-MRVPVSSYSA-N 1 2 256.306 -1.989 20 0 CAADLO CCNC(=O)[C@H](C)NC(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000637890900 373359207 /nfs/dbraw/zinc/35/92/07/373359207.db2.gz UYPIWXCCKWTNBZ-IUCAKERBSA-N 1 2 270.333 -1.553 20 0 CAADLO C[C@@H](C(=O)NCCNC(=O)C1CC1)N1CC[NH2+]CC1=O ZINC000637887763 373359341 /nfs/dbraw/zinc/35/93/41/373359341.db2.gz ZHDDARCBRPCSTC-VIFPVBQESA-N 1 2 282.344 -1.551 20 0 CAADLO CCNC(=O)[C@@H](C)NC(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000637890898 373359469 /nfs/dbraw/zinc/35/94/69/373359469.db2.gz UYPIWXCCKWTNBZ-BDAKNGLRSA-N 1 2 270.333 -1.553 20 0 CAADLO COCCNC(=O)CNC(=O)[C@@H](C)N1CC[NH2+]CC1=O ZINC000637897619 373359523 /nfs/dbraw/zinc/35/95/23/373359523.db2.gz XHAKSZNBYPUZRB-SECBINFHSA-N 1 2 286.332 -2.315 20 0 CAADLO CCNC(=O)CNC(=O)[C@@H](C)N1CC[NH2+]CC1=O ZINC000637890011 373360311 /nfs/dbraw/zinc/36/03/11/373360311.db2.gz RRIPOLKNHAVUOV-MRVPVSSYSA-N 1 2 256.306 -1.941 20 0 CAADLO CCNC(=O)[C@H](C)NC(=O)[C@@H](C)N1CC[NH2+]CC1=O ZINC000637890899 373360385 /nfs/dbraw/zinc/36/03/85/373360385.db2.gz UYPIWXCCKWTNBZ-DTWKUNHWSA-N 1 2 270.333 -1.553 20 0 CAADLO C[C@H](C(=O)NCCNC(=O)C1CC1)N1CC[NH2+]CC1=O ZINC000637887762 373360435 /nfs/dbraw/zinc/36/04/35/373360435.db2.gz ZHDDARCBRPCSTC-SECBINFHSA-N 1 2 282.344 -1.551 20 0 CAADLO C[C@@H](C(=O)N(C)CC(=O)N1CCCC1)N1CC[NH2+]CC1=O ZINC000637895321 373360650 /nfs/dbraw/zinc/36/06/50/373360650.db2.gz GKTPRTXRIBROBQ-NSHDSACASA-N 1 2 296.371 -1.113 20 0 CAADLO CCNC(=O)[C@@H](C)NC(=O)[C@@H](C)N1CC[NH2+]CC1=O ZINC000637890901 373360726 /nfs/dbraw/zinc/36/07/26/373360726.db2.gz UYPIWXCCKWTNBZ-RKDXNWHRSA-N 1 2 270.333 -1.553 20 0 CAADLO C[C@@H](C(=O)NCC(=O)NC1CC1)N1CC[NH2+]CC1=O ZINC000637893336 373360827 /nfs/dbraw/zinc/36/08/27/373360827.db2.gz HLLOCZRVSKILRM-QMMMGPOBSA-N 1 2 268.317 -1.799 20 0 CAADLO C[C@H](C(=O)N[C@@H]1CCCCNC1=O)N1CC[NH2+]CC1=O ZINC000637909314 373360849 /nfs/dbraw/zinc/36/08/49/373360849.db2.gz QCTJVYKQYMHXIE-NXEZZACHSA-N 1 2 282.344 -1.408 20 0 CAADLO C[C@@H](C(=O)NCCCC(=O)N(C)C)N1CC[NH2+]CC1=O ZINC000637947505 373361722 /nfs/dbraw/zinc/36/17/22/373361722.db2.gz ADGPTXIJZCDFHZ-JTQLQIEISA-N 1 2 284.360 -1.209 20 0 CAADLO C[C@@H](C(=O)NCC(=O)NC1CCCC1)N1CC[NH2+]CC1=O ZINC000637963574 373361802 /nfs/dbraw/zinc/36/18/02/373361802.db2.gz OFMKMKAWTWCZKT-JTQLQIEISA-N 1 2 296.371 -1.018 20 0 CAADLO C[C@@H](C(=O)NCCCC(=O)NC1CC1)N1CC[NH2+]CC1=O ZINC000637930428 373361912 /nfs/dbraw/zinc/36/19/12/373361912.db2.gz NMKRMUKHIHTYHL-JTQLQIEISA-N 1 2 296.371 -1.018 20 0 CAADLO C[C@@H](C(=O)N1CCNC(=O)[C@@H]1C)N1CC[NH2+]CC1=O ZINC000637963038 373362027 /nfs/dbraw/zinc/36/20/27/373362027.db2.gz JYDKBTAKFTYJNJ-IUCAKERBSA-N 1 2 268.317 -1.846 20 0 CAADLO CNC(=O)CCNC(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000637933622 373362109 /nfs/dbraw/zinc/36/21/09/373362109.db2.gz CPHOUIHLCBTVFT-QMMMGPOBSA-N 1 2 256.306 -1.941 20 0 CAADLO CCCN(CC(=O)NC)C(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000637942815 373362540 /nfs/dbraw/zinc/36/25/40/373362540.db2.gz PRMHPSCNZQLYDN-JTQLQIEISA-N 1 2 284.360 -1.209 20 0 CAADLO CCCNC(=O)CCNC(=O)[C@@H](C)N1CC[NH2+]CC1=O ZINC000637945252 373362601 /nfs/dbraw/zinc/36/26/01/373362601.db2.gz RTPWJHRAORXKLA-SNVBAGLBSA-N 1 2 284.360 -1.161 20 0 CAADLO C[C@@H](C(=O)N[C@@H]1CC(=O)N(C)C1)N1CC[NH2+]CC1=O ZINC000637961958 373362678 /nfs/dbraw/zinc/36/26/78/373362678.db2.gz QLUFZNKAYBQLHI-DTWKUNHWSA-N 1 2 268.317 -1.846 20 0 CAADLO C[C@H](C(=O)NCc1cnn(C)c1)N1CC[NH2+]CC1=O ZINC000637950638 373362760 /nfs/dbraw/zinc/36/27/60/373362760.db2.gz HVHZXXRJLBQZOE-SECBINFHSA-N 1 2 265.317 -1.143 20 0 CAADLO C[C@H](C(=O)NCc1cc[nH]n1)N1CC[NH2+]CC1=O ZINC000637934488 373362800 /nfs/dbraw/zinc/36/28/00/373362800.db2.gz WOYXWOQRAIWOBN-MRVPVSSYSA-N 1 2 251.290 -1.154 20 0 CAADLO C[C@H](C(=O)NCCCC(=O)N(C)C)N1CC[NH2+]CC1=O ZINC000637947506 373362854 /nfs/dbraw/zinc/36/28/54/373362854.db2.gz ADGPTXIJZCDFHZ-SNVBAGLBSA-N 1 2 284.360 -1.209 20 0 CAADLO C[C@H](C(=O)N[C@@H](C)Cn1cncn1)N1CC[NH2+]CC1=O ZINC000637934546 373363100 /nfs/dbraw/zinc/36/31/00/373363100.db2.gz JOQWGITWLCXXPZ-VHSXEESVSA-N 1 2 280.332 -1.397 20 0 CAADLO C[C@H](C(=O)N1CCNC(=O)[C@H]1C)N1CC[NH2+]CC1=O ZINC000637963039 373363264 /nfs/dbraw/zinc/36/32/64/373363264.db2.gz JYDKBTAKFTYJNJ-RKDXNWHRSA-N 1 2 268.317 -1.846 20 0 CAADLO C[C@@H](C(=O)N1C[C@H](C(N)=O)CC[C@H]1C)N1CC[NH2+]CC1=O ZINC000637927589 373363318 /nfs/dbraw/zinc/36/33/18/373363318.db2.gz PVDXTLBMRBQTKL-OUAUKWLOSA-N 1 2 296.371 -1.081 20 0 CAADLO C[C@H](CN1CCCC1=O)NC(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000637939813 373363363 /nfs/dbraw/zinc/36/33/63/373363363.db2.gz RIIGUUGWMMPLNY-MNOVXSKESA-N 1 2 296.371 -1.066 20 0 CAADLO C[C@@H](C(=O)NCc1cnn(C)c1)N1CC[NH2+]CC1=O ZINC000637950639 373363377 /nfs/dbraw/zinc/36/33/77/373363377.db2.gz HVHZXXRJLBQZOE-VIFPVBQESA-N 1 2 265.317 -1.143 20 0 CAADLO C[C@@H](Cn1cncn1)NC(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000637934544 373363441 /nfs/dbraw/zinc/36/34/41/373363441.db2.gz JOQWGITWLCXXPZ-UWVGGRQHSA-N 1 2 280.332 -1.397 20 0 CAADLO CCCCN(CC(N)=O)C(=O)[C@@H](C)N1CC[NH2+]CC1=O ZINC000637933898 373363457 /nfs/dbraw/zinc/36/34/57/373363457.db2.gz QJLLAAOLDUPGRN-SNVBAGLBSA-N 1 2 284.360 -1.079 20 0 CAADLO C[C@@H](C(=O)NCCc1cnn(C)c1)N1CC[NH2+]CC1=O ZINC000637931267 373363528 /nfs/dbraw/zinc/36/35/28/373363528.db2.gz HJFZLVWTYVNJGR-JTQLQIEISA-N 1 2 279.344 -1.101 20 0 CAADLO C[C@H](C(=O)NCCCS(C)(=O)=O)N1CC[NH2+]CC1=O ZINC000637932583 373363661 /nfs/dbraw/zinc/36/36/61/373363661.db2.gz QUFQHHDPADBTFV-SECBINFHSA-N 1 2 291.373 -1.642 20 0 CAADLO CC(C)N1CC[C@H](NC(=O)[C@H](C)N2CC[NH2+]CC2=O)C1=O ZINC000637999931 373364475 /nfs/dbraw/zinc/36/44/75/373364475.db2.gz LMQXURWJPPDFSZ-QWRGUYRKSA-N 1 2 296.371 -1.068 20 0 CAADLO C[C@@H](C(=O)N[C@H]1CCC(=O)N(C)C1)N1CC[NH2+]CC1=O ZINC000637996384 373364512 /nfs/dbraw/zinc/36/45/12/373364512.db2.gz IUZKXPDNSFIQKB-UWVGGRQHSA-N 1 2 282.344 -1.456 20 0 CAADLO C[C@@H](C(=O)N1CCN(C2CC2)C(=O)C1)N1CC[NH2+]CC1=O ZINC000638000052 373364676 /nfs/dbraw/zinc/36/46/76/373364676.db2.gz JYNZZLVOJOHLAJ-JTQLQIEISA-N 1 2 294.355 -1.360 20 0 CAADLO CC(C)N1C[C@H](NC(=O)[C@@H](C)N2CC[NH2+]CC2=O)CC1=O ZINC000637973842 373365022 /nfs/dbraw/zinc/36/50/22/373365022.db2.gz NRVQFSZQERXBSJ-GHMZBOCLSA-N 1 2 296.371 -1.068 20 0 CAADLO C[C@@H](C(=O)NCC1(CO)CC1)N1CC[NH2+]CC1=O ZINC000637992920 373365153 /nfs/dbraw/zinc/36/51/53/373365153.db2.gz VQOWPBBTOCXGQH-VIFPVBQESA-N 1 2 255.318 -1.305 20 0 CAADLO C[C@H](C(=O)N[C@@H]1CCN(C)C1=O)N1CC[NH2+]CC1=O ZINC000637993558 373365764 /nfs/dbraw/zinc/36/57/64/373365764.db2.gz ZSAOZHKFGOYHJS-RKDXNWHRSA-N 1 2 268.317 -1.846 20 0 CAADLO C[C@@H](C(=O)N[C@@H]1CCC(=O)N(C)C1)N1CC[NH2+]CC1=O ZINC000637996385 373366093 /nfs/dbraw/zinc/36/60/93/373366093.db2.gz IUZKXPDNSFIQKB-VHSXEESVSA-N 1 2 282.344 -1.456 20 0 CAADLO C[C@H](C(=O)N[C@@H]1CCC(=O)N(C)C1)N1CC[NH2+]CC1=O ZINC000637996383 373366104 /nfs/dbraw/zinc/36/61/04/373366104.db2.gz IUZKXPDNSFIQKB-NXEZZACHSA-N 1 2 282.344 -1.456 20 0 CAADLO CC[C@H]1C(=O)NCCN1C(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000637977848 373366259 /nfs/dbraw/zinc/36/62/59/373366259.db2.gz FMEKNKWTLSJCJN-UWVGGRQHSA-N 1 2 282.344 -1.456 20 0 CAADLO CC(C)[C@H]1C(=O)NCCN1C(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000637981167 373366285 /nfs/dbraw/zinc/36/62/85/373366285.db2.gz XTBCUNXQTFEPGA-JQWIXIFHSA-N 1 2 296.371 -1.210 20 0 CAADLO CC(C)N1C[C@H](NC(=O)[C@H](C)N2CC[NH2+]CC2=O)CC1=O ZINC000637973850 373366333 /nfs/dbraw/zinc/36/63/33/373366333.db2.gz NRVQFSZQERXBSJ-WDEREUQCSA-N 1 2 296.371 -1.068 20 0 CAADLO CNC(=O)[C@H]1CCCN(C(=O)[C@H](C)N2CC[NH2+]CC2=O)C1 ZINC000637993789 373366348 /nfs/dbraw/zinc/36/63/48/373366348.db2.gz SVMBGYOCCZQRND-QWRGUYRKSA-N 1 2 296.371 -1.209 20 0 CAADLO C[C@@H](C(=O)N[C@H]1CCCN(C)C1=O)N1CC[NH2+]CC1=O ZINC000638004769 373367027 /nfs/dbraw/zinc/36/70/27/373367027.db2.gz GXMYIWDOWSSLLO-UWVGGRQHSA-N 1 2 282.344 -1.456 20 0 CAADLO CNC(=O)[C@@H](C)NC(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000638004434 373367250 /nfs/dbraw/zinc/36/72/50/373367250.db2.gz AJSLYPSBCBAPCH-SFYZADRCSA-N 1 2 256.306 -1.943 20 0 CAADLO COC[C@@H]1CN(C(=O)[C@@H](C)N2CC[NH2+]CC2=O)CCO1 ZINC000638007542 373367410 /nfs/dbraw/zinc/36/74/10/373367410.db2.gz RWZCXNVSIUINHM-MNOVXSKESA-N 1 2 285.344 -1.320 20 0 CAADLO C[C@@H](C(=O)N[C@@H]1CCCN(C)C1=O)N1CC[NH2+]CC1=O ZINC000638004773 373367429 /nfs/dbraw/zinc/36/74/29/373367429.db2.gz GXMYIWDOWSSLLO-VHSXEESVSA-N 1 2 282.344 -1.456 20 0 CAADLO C[C@H](C(=O)N[C@@H]1CCCN(C)C1=O)N1CC[NH2+]CC1=O ZINC000638004768 373368945 /nfs/dbraw/zinc/36/89/45/373368945.db2.gz GXMYIWDOWSSLLO-NXEZZACHSA-N 1 2 282.344 -1.456 20 0 CAADLO C[C@@H](NC(=O)[C@@H](C)N1CC[NH2+]CC1=O)C(=O)N(C)C ZINC000638024294 373370704 /nfs/dbraw/zinc/37/07/04/373370704.db2.gz DPDQICXASVDLQQ-RKDXNWHRSA-N 1 2 270.333 -1.600 20 0 CAADLO CNC(=O)[C@H](C)CN(C)C(=O)[C@@H](C)N1CC[NH2+]CC1=O ZINC000638039907 373370967 /nfs/dbraw/zinc/37/09/67/373370967.db2.gz FVSPJDMLEIPCSB-NXEZZACHSA-N 1 2 284.360 -1.353 20 0 CAADLO CCC(=O)N1CC[C@H](NC(=O)[C@@H](C)N2CC[NH2+]CC2=O)C1 ZINC000638033059 373370987 /nfs/dbraw/zinc/37/09/87/373370987.db2.gz YGGXGFOZFRTHOG-MNOVXSKESA-N 1 2 296.371 -1.066 20 0 CAADLO COCC(=O)N(C)CC(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000340125044 373371040 /nfs/dbraw/zinc/37/10/40/373371040.db2.gz XJSBSBGMRUYLDH-NSHDSACASA-N 1 2 287.360 -1.072 20 0 CAADLO COCC(=O)N(C)CC(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000340125044 373371049 /nfs/dbraw/zinc/37/10/49/373371049.db2.gz XJSBSBGMRUYLDH-NSHDSACASA-N 1 2 287.360 -1.072 20 0 CAADLO COCCOC[C@@H](C)NC(=O)[C@@H](C)N1CC[NH2+]CC1=O ZINC000638019942 373371177 /nfs/dbraw/zinc/37/11/77/373371177.db2.gz DJMPPQZBJUPXLX-GHMZBOCLSA-N 1 2 287.360 -1.026 20 0 CAADLO CCC(=O)N1CC[C@H](NC(=O)[C@H](C)N2CC[NH2+]CC2=O)C1 ZINC000638033060 373371199 /nfs/dbraw/zinc/37/11/99/373371199.db2.gz YGGXGFOZFRTHOG-QWRGUYRKSA-N 1 2 296.371 -1.066 20 0 CAADLO C[C@H](C(=O)N1CCC[C@H](CC(N)=O)C1)N1CC[NH2+]CC1=O ZINC000638031685 373371282 /nfs/dbraw/zinc/37/12/82/373371282.db2.gz TYHVAUUKFHALAG-GHMZBOCLSA-N 1 2 296.371 -1.079 20 0 CAADLO COCC(=O)N(C)CC(=O)N(C)CC[NH+]1CCOCC1 ZINC000340124212 373371414 /nfs/dbraw/zinc/37/14/14/373371414.db2.gz HYLKPGBUJIDNIK-UHFFFAOYSA-N 1 2 287.360 -1.118 20 0 CAADLO C[C@H](C(=O)NCCn1cc[nH+]c1)N1CCNCC1=O ZINC000638051069 373373475 /nfs/dbraw/zinc/37/34/75/373373475.db2.gz BLYVLFONWCUNCU-SNVBAGLBSA-N 1 2 265.317 -1.180 20 0 CAADLO C[N@H+](CC(=O)NCC(=O)NC(C)(C)C)[C@H]1CCNC1=O ZINC000340224524 373402092 /nfs/dbraw/zinc/40/20/92/373402092.db2.gz BFZDTTQWJDCPEJ-VIFPVBQESA-N 1 2 284.360 -1.162 20 0 CAADLO C[N@@H+](CC(=O)NCC(=O)NC(C)(C)C)[C@H]1CCNC1=O ZINC000340224524 373402099 /nfs/dbraw/zinc/40/20/99/373402099.db2.gz BFZDTTQWJDCPEJ-VIFPVBQESA-N 1 2 284.360 -1.162 20 0 CAADLO C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@H+](C)[C@H]1CCNC1=O ZINC000340226792 373403908 /nfs/dbraw/zinc/40/39/08/373403908.db2.gz AMBWFGCFXZSPFQ-VWYCJHECSA-N 1 2 296.371 -1.081 20 0 CAADLO C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@@H+](C)[C@H]1CCNC1=O ZINC000340226792 373403915 /nfs/dbraw/zinc/40/39/15/373403915.db2.gz AMBWFGCFXZSPFQ-VWYCJHECSA-N 1 2 296.371 -1.081 20 0 CAADLO COC(=O)CCNC(=O)C[N@H+](C)[C@H]1CCNC1=O ZINC000340225613 373404174 /nfs/dbraw/zinc/40/41/74/373404174.db2.gz KQDYDRIMTHQTME-QMMMGPOBSA-N 1 2 257.290 -1.514 20 0 CAADLO COC(=O)CCNC(=O)C[N@@H+](C)[C@H]1CCNC1=O ZINC000340225613 373404179 /nfs/dbraw/zinc/40/41/79/373404179.db2.gz KQDYDRIMTHQTME-QMMMGPOBSA-N 1 2 257.290 -1.514 20 0 CAADLO C[C@@H](C(=O)NCCn1cccn1)N1CC[NH2+]CC1=O ZINC000638275633 373406331 /nfs/dbraw/zinc/40/63/31/373406331.db2.gz IVPXKNRWMLUYDU-JTQLQIEISA-N 1 2 265.317 -1.180 20 0 CAADLO C[C@H](C(=O)NCC(=O)N1CCOCC1)N1CC[NH2+]CC1=O ZINC000638279576 373406493 /nfs/dbraw/zinc/40/64/93/373406493.db2.gz SPANHCMFCNPHNR-SNVBAGLBSA-N 1 2 298.343 -2.218 20 0 CAADLO CC(C)Nc1nc(N2C[C@H](O)[C@@H](O)C2)nc(NCCO)[nH+]1 ZINC000287609961 373408554 /nfs/dbraw/zinc/40/85/54/373408554.db2.gz FZSMPJPNNOUHEJ-IUCAKERBSA-N 1 2 298.347 -1.362 20 0 CAADLO CC(C)Nc1nc(NCCO)[nH+]c(N2C[C@H](O)[C@@H](O)C2)n1 ZINC000287609961 373408580 /nfs/dbraw/zinc/40/85/80/373408580.db2.gz FZSMPJPNNOUHEJ-IUCAKERBSA-N 1 2 298.347 -1.362 20 0 CAADLO CC(C)Nc1nc(NCCO)nc(N2C[C@H](O)[C@@H](O)C2)[nH+]1 ZINC000287609961 373408589 /nfs/dbraw/zinc/40/85/89/373408589.db2.gz FZSMPJPNNOUHEJ-IUCAKERBSA-N 1 2 298.347 -1.362 20 0 CAADLO C[C@H](C(=O)N1CC[C@@H](C)C[C@@H]1C(N)=O)N1CC[NH2+]CC1=O ZINC000638281918 373409060 /nfs/dbraw/zinc/40/90/60/373409060.db2.gz AQSAMGIMTXMLOY-GMTAPVOTSA-N 1 2 296.371 -1.081 20 0 CAADLO C[C@@H](C(=O)N1CC[C@@H](C)C[C@@H]1C(N)=O)N1CC[NH2+]CC1=O ZINC000638281929 373409754 /nfs/dbraw/zinc/40/97/54/373409754.db2.gz AQSAMGIMTXMLOY-OUAUKWLOSA-N 1 2 296.371 -1.081 20 0 CAADLO CCC[C@H]1C(=O)NCCN1C(=O)[C@@H](C)N1CC[NH2+]CC1=O ZINC000638291684 373409762 /nfs/dbraw/zinc/40/97/62/373409762.db2.gz TVAMCZPEZJRSCT-MNOVXSKESA-N 1 2 296.371 -1.066 20 0 CAADLO CCN(CCO)C(=O)C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000340254524 373409791 /nfs/dbraw/zinc/40/97/91/373409791.db2.gz OSBXCOBSIFFJAT-NSHDSACASA-N 1 2 287.360 -1.336 20 0 CAADLO C[C@H](C[NH+]1CCOCC1)NC(=O)C(=O)N1CCC[C@H]1CO ZINC000340254806 373409808 /nfs/dbraw/zinc/40/98/08/373409808.db2.gz ZUKHTKJDWLSLPL-NEPJUHHUSA-N 1 2 299.371 -1.193 20 0 CAADLO CNC(=O)CCCN(C)C(=O)[C@@H](C)N1CC[NH2+]CC1=O ZINC000638287328 373409933 /nfs/dbraw/zinc/40/99/33/373409933.db2.gz WQDGHVAGVSIKRH-SNVBAGLBSA-N 1 2 284.360 -1.209 20 0 CAADLO C[C@H](C(=O)NCCNC(=O)N(C)C)N1CC[NH2+]CC1=O ZINC000638282117 373409944 /nfs/dbraw/zinc/40/99/44/373409944.db2.gz KPJFWUCBUWBPOD-SECBINFHSA-N 1 2 285.348 -1.806 20 0 CAADLO C[C@H](C(=O)NCC(=O)NCC1CC1)N1CC[NH2+]CC1=O ZINC000638315968 373410875 /nfs/dbraw/zinc/41/08/75/373410875.db2.gz IMHHNYVMZLWGFG-SECBINFHSA-N 1 2 282.344 -1.551 20 0 CAADLO C[C@H](C[NH+]1CCOCC1)NC(=O)C(=O)N(C)[C@@H](C)CO ZINC000340262908 373410946 /nfs/dbraw/zinc/41/09/46/373410946.db2.gz ZRVCNZRUUFSUOY-MNOVXSKESA-N 1 2 287.360 -1.338 20 0 CAADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)C(=O)N(CCO)C1CC1 ZINC000340260933 373411903 /nfs/dbraw/zinc/41/19/03/373411903.db2.gz SLHFUWHSEQNFFS-NSHDSACASA-N 1 2 299.371 -1.193 20 0 CAADLO CCN(C)C(=O)CNC(=O)[C@@H](C)N1CC[NH2+]CC1=O ZINC000638304684 373412667 /nfs/dbraw/zinc/41/26/67/373412667.db2.gz JPXIKOTWMZIRGW-SECBINFHSA-N 1 2 270.333 -1.599 20 0 CAADLO CNC(=O)C(C)(C)CNC(=O)[C@@H](C)N1CC[NH2+]CC1=O ZINC000638303592 373412751 /nfs/dbraw/zinc/41/27/51/373412751.db2.gz ZSSKSRSQSAWCNY-SECBINFHSA-N 1 2 284.360 -1.305 20 0 CAADLO Cc1nnc(NC(=O)[C@H](C)N2CC[NH2+]CC2=O)n1C ZINC000638318270 373413900 /nfs/dbraw/zinc/41/39/00/373413900.db2.gz TUIASGQXQVYMAO-ZETCQYMHSA-N 1 2 266.305 -1.118 20 0 CAADLO NS(=O)(=O)CC[NH+]1CCN(Cc2cc[nH]n2)CC1 ZINC000340285162 373414604 /nfs/dbraw/zinc/41/46/04/373414604.db2.gz HEMZNGCABSOTED-UHFFFAOYSA-N 1 2 273.362 -1.184 20 0 CAADLO CCN(C)C(=O)[C@H](C)NC(=O)[C@@H](C)N1CC[NH2+]CC1=O ZINC000638321749 373414829 /nfs/dbraw/zinc/41/48/29/373414829.db2.gz LSRGEESVOVPIPT-VHSXEESVSA-N 1 2 284.360 -1.210 20 0 CAADLO O=C(NC1CC1)C(=O)N1CC[NH+]([C@@H]2COC[C@@H]2O)CC1 ZINC000340283569 373415052 /nfs/dbraw/zinc/41/50/52/373415052.db2.gz LRUCRFWEEHOORH-MNOVXSKESA-N 1 2 283.328 -1.831 20 0 CAADLO NS(=O)(=O)N1CC[NH+]([C@H]2COC[C@H]2O)CC1 ZINC000340293645 373418114 /nfs/dbraw/zinc/41/81/14/373418114.db2.gz ZQHHZZQKACILOM-JGVFFNPUSA-N 1 2 251.308 -2.433 20 0 CAADLO CCn1cc(CNC(=O)[C@H](C)N2CC[NH2+]CC2=O)nn1 ZINC000638409608 373419601 /nfs/dbraw/zinc/41/96/01/373419601.db2.gz MNWOVAIQWIEUHE-VIFPVBQESA-N 1 2 280.332 -1.266 20 0 CAADLO COC[C@H](CCNC(=O)[C@@H](C)N1CC[NH2+]CC1=O)OC ZINC000638403630 373420213 /nfs/dbraw/zinc/42/02/13/373420213.db2.gz DJLQQOSSMBQGDP-MNOVXSKESA-N 1 2 287.360 -1.026 20 0 CAADLO CC(=O)N[C@H]1CCN(C(=O)[C@@H](C)N2CC[NH2+]CC2=O)C1 ZINC000638406140 373420453 /nfs/dbraw/zinc/42/04/53/373420453.db2.gz FXQLMQSMYPUUGQ-KOLCDFICSA-N 1 2 282.344 -1.456 20 0 CAADLO C[C@H](C(=O)NCCCc1ncn(C)n1)N1CC[NH2+]CC1=O ZINC000638372003 373420797 /nfs/dbraw/zinc/42/07/97/373420797.db2.gz RSOMHQXCGHJSKA-SNVBAGLBSA-N 1 2 294.359 -1.316 20 0 CAADLO C[C@@H](C(=O)N(C)C[C@H]1COCCO1)N1CC[NH2+]CC1=O ZINC000638413570 373421025 /nfs/dbraw/zinc/42/10/25/373421025.db2.gz AJOJYPYGIVCQGB-QWRGUYRKSA-N 1 2 285.344 -1.320 20 0 CAADLO CCN1C[C@@H](CNC(=O)[C@H](C)N2CC[NH2+]CC2=O)CC1=O ZINC000638391599 373421094 /nfs/dbraw/zinc/42/10/94/373421094.db2.gz UINWTYAKBKUHLH-WDEREUQCSA-N 1 2 296.371 -1.209 20 0 CAADLO CC(=O)NCCN(C)C(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000638375266 373421254 /nfs/dbraw/zinc/42/12/54/373421254.db2.gz VZCYFGKBLLUXSD-VIFPVBQESA-N 1 2 270.333 -1.599 20 0 CAADLO C[C@H](C(=O)N[C@H]1CCNC1=O)N1CC[NH2+]CC1=O ZINC000638404037 373421269 /nfs/dbraw/zinc/42/12/69/373421269.db2.gz XOPDGUKPPQWMIJ-SFYZADRCSA-N 1 2 254.290 -2.189 20 0 CAADLO C[C@@H](C(=O)N1CC[C@@](C)(C(N)=O)C1)N1CC[NH2+]CC1=O ZINC000638426230 373423060 /nfs/dbraw/zinc/42/30/60/373423060.db2.gz IZFBTSMGYGTMQI-TVQRCGJNSA-N 1 2 282.344 -1.469 20 0 CAADLO C[C@@H](C(=O)N1CC[C@](C)(C(N)=O)C1)N1CC[NH2+]CC1=O ZINC000638426232 373423511 /nfs/dbraw/zinc/42/35/11/373423511.db2.gz IZFBTSMGYGTMQI-ZANVPECISA-N 1 2 282.344 -1.469 20 0 CAADLO CC[C@@H](C)[C@@H](NC(=O)C[N@H+]1C[C@@H](O)[C@@H](O)C1)C(=O)OC ZINC000093092053 373427625 /nfs/dbraw/zinc/42/76/25/373427625.db2.gz LNJLIBZADCBDBU-MWGHHZFTSA-N 1 2 288.344 -1.272 20 0 CAADLO CC[C@@H](C)[C@@H](NC(=O)C[N@@H+]1C[C@@H](O)[C@@H](O)C1)C(=O)OC ZINC000093092053 373427629 /nfs/dbraw/zinc/42/76/29/373427629.db2.gz LNJLIBZADCBDBU-MWGHHZFTSA-N 1 2 288.344 -1.272 20 0 CAADLO CC1(C)CNC(=O)C[N@@H+]1CCN1C(=O)CNC1=O ZINC000282741046 373380130 /nfs/dbraw/zinc/38/01/30/373380130.db2.gz NDTBOVSGDBUZHQ-UHFFFAOYSA-N 1 2 254.290 -1.251 20 0 CAADLO CC1(C)CNC(=O)C[N@H+]1CCN1C(=O)CNC1=O ZINC000282741046 373380137 /nfs/dbraw/zinc/38/01/37/373380137.db2.gz NDTBOVSGDBUZHQ-UHFFFAOYSA-N 1 2 254.290 -1.251 20 0 CAADLO O=C(NCCCn1cc[nH+]c1)C(=O)N1CCNC(=O)C1 ZINC000283388091 373382277 /nfs/dbraw/zinc/38/22/77/373382277.db2.gz WZWIJODUDHDJKZ-UHFFFAOYSA-N 1 2 279.300 -1.652 20 0 CAADLO COC[C@H]1CN(C(=O)C(=O)NCCn2cc[nH+]c2)CCO1 ZINC000283247430 373382347 /nfs/dbraw/zinc/38/23/47/373382347.db2.gz DGTJNPRKCSMSCA-LLVKDONJSA-N 1 2 296.327 -1.127 20 0 CAADLO C[C@H](C(=O)NCCN1CCOC[C@@H]1C)N1CC[NH2+]CC1=O ZINC000638100478 373385080 /nfs/dbraw/zinc/38/50/80/373385080.db2.gz ZJGVXXCBWSEPJQ-NWDGAFQWSA-N 1 2 298.387 -1.356 20 0 CAADLO C[C@H](C(=O)NCCN1CCOC[C@H]1C)N1CC[NH2+]CC1=O ZINC000638100480 373385323 /nfs/dbraw/zinc/38/53/23/373385323.db2.gz ZJGVXXCBWSEPJQ-VXGBXAGGSA-N 1 2 298.387 -1.356 20 0 CAADLO CCc1nncn1CCNC(=O)[C@@H](C)N1CC[NH2+]CC1=O ZINC000638123069 373387208 /nfs/dbraw/zinc/38/72/08/373387208.db2.gz NKOJRAXDVNBEHF-SNVBAGLBSA-N 1 2 294.359 -1.223 20 0 CAADLO Cc1nc2n(n1)CCN(C(=O)[C@H](C)N1CC[NH2+]CC1=O)C2 ZINC000638118901 373387455 /nfs/dbraw/zinc/38/74/55/373387455.db2.gz ZNEJGMALGJIHFH-VIFPVBQESA-N 1 2 292.343 -1.251 20 0 CAADLO CNC(=O)NC(=O)C[N@@H+]1CCC[C@H](c2n[nH]c(=O)o2)C1 ZINC000284286995 373389426 /nfs/dbraw/zinc/38/94/26/373389426.db2.gz NSHCYOZXVRTDGR-ZETCQYMHSA-N 1 2 283.288 -1.002 20 0 CAADLO CNC(=O)NC(=O)C[N@H+]1CCC[C@H](c2n[nH]c(=O)o2)C1 ZINC000284286995 373389430 /nfs/dbraw/zinc/38/94/30/373389430.db2.gz NSHCYOZXVRTDGR-ZETCQYMHSA-N 1 2 283.288 -1.002 20 0 CAADLO CNC(=O)C(=O)N1CC[NH+]([C@@H](C)CC(=O)OC)CC1 ZINC000285215324 373391758 /nfs/dbraw/zinc/39/17/58/373391758.db2.gz MIHYWWKMOJZOCS-VIFPVBQESA-N 1 2 271.317 -1.172 20 0 CAADLO C[C@H](CNC(=O)C(=O)N1CC[C@@H](CO)C1)[NH+]1CCOCC1 ZINC000340198122 373391952 /nfs/dbraw/zinc/39/19/52/373391952.db2.gz CSEXNHSCEURAMV-VXGBXAGGSA-N 1 2 299.371 -1.336 20 0 CAADLO Cn1c(N)c(C(=O)C[N@H+](C)C2(CO)CC2)c(=O)n(C)c1=O ZINC000285445752 373394222 /nfs/dbraw/zinc/39/42/22/373394222.db2.gz IPGXPBAQNGPPBG-UHFFFAOYSA-N 1 2 296.327 -1.694 20 0 CAADLO Cn1c(N)c(C(=O)C[N@@H+](C)C2(CO)CC2)c(=O)n(C)c1=O ZINC000285445752 373394232 /nfs/dbraw/zinc/39/42/32/373394232.db2.gz IPGXPBAQNGPPBG-UHFFFAOYSA-N 1 2 296.327 -1.694 20 0 CAADLO COc1c[nH+]c(NC[C@H](O)CO)nc1NC[C@H](O)CO ZINC000286190359 373397248 /nfs/dbraw/zinc/39/72/48/373397248.db2.gz LPJGRTYFVSGGQA-YUMQZZPRSA-N 1 2 288.304 -1.985 20 0 CAADLO CCCNC(=O)CN(C)C(=O)C[N@H+](C)[C@H]1CCNC1=O ZINC000340217882 373398018 /nfs/dbraw/zinc/39/80/18/373398018.db2.gz DYVBWTCNBIDKMR-JTQLQIEISA-N 1 2 284.360 -1.209 20 0 CAADLO CCCNC(=O)CN(C)C(=O)C[N@@H+](C)[C@H]1CCNC1=O ZINC000340217882 373398028 /nfs/dbraw/zinc/39/80/28/373398028.db2.gz DYVBWTCNBIDKMR-JTQLQIEISA-N 1 2 284.360 -1.209 20 0 CAADLO CC(C)Nc1nc(NCCO)[nH+]c(NC[C@H](O)CO)n1 ZINC000286052055 373398299 /nfs/dbraw/zinc/39/82/99/373398299.db2.gz AYCCNVQBUYHJCR-QMMMGPOBSA-N 1 2 286.336 -1.139 20 0 CAADLO CC(C)Nc1nc(NC[C@H](O)CO)nc(NCCO)[nH+]1 ZINC000286052055 373398306 /nfs/dbraw/zinc/39/83/06/373398306.db2.gz AYCCNVQBUYHJCR-QMMMGPOBSA-N 1 2 286.336 -1.139 20 0 CAADLO CC(C)Nc1nc(NCCO)nc(NC[C@H](O)CO)[nH+]1 ZINC000286052055 373398315 /nfs/dbraw/zinc/39/83/15/373398315.db2.gz AYCCNVQBUYHJCR-QMMMGPOBSA-N 1 2 286.336 -1.139 20 0 CAADLO COc1c[nH+]c(NC[C@@H](O)CO)nc1NC[C@H](O)CO ZINC000286190346 373398693 /nfs/dbraw/zinc/39/86/93/373398693.db2.gz LPJGRTYFVSGGQA-JGVFFNPUSA-N 1 2 288.304 -1.985 20 0 CAADLO C[N@H+](CC(=O)NC(=O)NC1CC1)[C@@H]1CCNC1=O ZINC000340225792 373399954 /nfs/dbraw/zinc/39/99/54/373399954.db2.gz MJMMDELIPOWQJO-MRVPVSSYSA-N 1 2 254.290 -1.205 20 0 CAADLO C[N@@H+](CC(=O)NC(=O)NC1CC1)[C@@H]1CCNC1=O ZINC000340225792 373399962 /nfs/dbraw/zinc/39/99/62/373399962.db2.gz MJMMDELIPOWQJO-MRVPVSSYSA-N 1 2 254.290 -1.205 20 0 CAADLO CC[NH+]1CCN(C(=O)C(=O)N2CCNC(=O)C2)CC1 ZINC000297543236 373447803 /nfs/dbraw/zinc/44/78/03/373447803.db2.gz OYBOLSMXSRQFHX-UHFFFAOYSA-N 1 2 268.317 -1.891 20 0 CAADLO COC(=O)CNC(=O)[C@@H](C)[N@H+](C)CC(=O)NC1CC1 ZINC000298112437 373451351 /nfs/dbraw/zinc/45/13/51/373451351.db2.gz ZUQCCWSOKCAAQB-MRVPVSSYSA-N 1 2 271.317 -1.126 20 0 CAADLO COC(=O)CNC(=O)[C@@H](C)[N@@H+](C)CC(=O)NC1CC1 ZINC000298112437 373451358 /nfs/dbraw/zinc/45/13/58/373451358.db2.gz ZUQCCWSOKCAAQB-MRVPVSSYSA-N 1 2 271.317 -1.126 20 0 CAADLO COC(=O)CNC(=O)C[N@@H+](CC(N)=O)CC(C)C ZINC000298708569 373456829 /nfs/dbraw/zinc/45/68/29/373456829.db2.gz JQYVRNKPCQWMTD-UHFFFAOYSA-N 1 2 259.306 -1.281 20 0 CAADLO COC(=O)CNC(=O)C[N@H+](CC(N)=O)CC(C)C ZINC000298708569 373456837 /nfs/dbraw/zinc/45/68/37/373456837.db2.gz JQYVRNKPCQWMTD-UHFFFAOYSA-N 1 2 259.306 -1.281 20 0 CAADLO CNC(=O)NC(=O)C[N@@H+]1C[C@@H](CO)OC(C)(C)C1 ZINC000163873962 373460460 /nfs/dbraw/zinc/46/04/60/373460460.db2.gz IOCRXPKRDOPGJM-QMMMGPOBSA-N 1 2 259.306 -1.086 20 0 CAADLO CNC(=O)NC(=O)C[N@H+]1C[C@@H](CO)OC(C)(C)C1 ZINC000163873962 373460463 /nfs/dbraw/zinc/46/04/63/373460463.db2.gz IOCRXPKRDOPGJM-QMMMGPOBSA-N 1 2 259.306 -1.086 20 0 CAADLO CC(C)Nc1nc(N[C@@H]2CCCOC2)nc(NCCO)[nH+]1 ZINC000340985382 373462580 /nfs/dbraw/zinc/46/25/80/373462580.db2.gz STNPVOYHFRSEFX-SNVBAGLBSA-N 1 2 296.375 -1.047 20 0 CAADLO CC(C)Nc1nc(NCCO)[nH+]c(N[C@@H]2CCCOC2)n1 ZINC000340985382 373462591 /nfs/dbraw/zinc/46/25/91/373462591.db2.gz STNPVOYHFRSEFX-SNVBAGLBSA-N 1 2 296.375 -1.047 20 0 CAADLO CC(C)Nc1nc(NCCO)nc(N[C@@H]2CCCOC2)[nH+]1 ZINC000340985382 373462598 /nfs/dbraw/zinc/46/25/98/373462598.db2.gz STNPVOYHFRSEFX-SNVBAGLBSA-N 1 2 296.375 -1.047 20 0 CAADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)NC(CO)CO ZINC000341112431 373464398 /nfs/dbraw/zinc/46/43/98/373464398.db2.gz BKVPDJBOGKLZKK-SECBINFHSA-N 1 2 261.322 -1.641 20 0 CAADLO C[C@@H]1COCC[N@H+]1CCNC(=O)NC(CO)CO ZINC000341112431 373464407 /nfs/dbraw/zinc/46/44/07/373464407.db2.gz BKVPDJBOGKLZKK-SECBINFHSA-N 1 2 261.322 -1.641 20 0 CAADLO CNC(=O)NC(=O)CC[N@H+](C)Cc1nnnn1C ZINC000341558313 373469285 /nfs/dbraw/zinc/46/92/85/373469285.db2.gz NQHYPAFOOLSZLD-UHFFFAOYSA-N 1 2 255.282 -1.512 20 0 CAADLO CNC(=O)NC(=O)CC[N@@H+](C)Cc1nnnn1C ZINC000341558313 373469294 /nfs/dbraw/zinc/46/92/94/373469294.db2.gz NQHYPAFOOLSZLD-UHFFFAOYSA-N 1 2 255.282 -1.512 20 0 CAADLO COC(=O)[C@H]1C[C@@H](OC)C[N@H+]1CCCS(N)(=O)=O ZINC000341496815 373469824 /nfs/dbraw/zinc/46/98/24/373469824.db2.gz ORQBCMZBGBQCOF-RKDXNWHRSA-N 1 2 280.346 -1.073 20 0 CAADLO COC(=O)[C@H]1C[C@@H](OC)C[N@@H+]1CCCS(N)(=O)=O ZINC000341496815 373469839 /nfs/dbraw/zinc/46/98/39/373469839.db2.gz ORQBCMZBGBQCOF-RKDXNWHRSA-N 1 2 280.346 -1.073 20 0 CAADLO COC(=O)[C@@H]1C[C@@H](OC)C[N@H+]1CCCS(N)(=O)=O ZINC000341496802 373470800 /nfs/dbraw/zinc/47/08/00/373470800.db2.gz ORQBCMZBGBQCOF-BDAKNGLRSA-N 1 2 280.346 -1.073 20 0 CAADLO COC(=O)[C@@H]1C[C@@H](OC)C[N@@H+]1CCCS(N)(=O)=O ZINC000341496802 373470803 /nfs/dbraw/zinc/47/08/03/373470803.db2.gz ORQBCMZBGBQCOF-BDAKNGLRSA-N 1 2 280.346 -1.073 20 0 CAADLO C[C@@](O)(C(=O)NCC(=O)NCC[NH+]1CCOCC1)C1CC1 ZINC000341589125 373471998 /nfs/dbraw/zinc/47/19/98/373471998.db2.gz RYIORBQKQZCBTM-AWEZNQCLSA-N 1 2 299.371 -1.288 20 0 CAADLO COC(=O)CN(C)C(=O)CC[N@H+](C)Cc1nnnn1C ZINC000341603299 373472558 /nfs/dbraw/zinc/47/25/58/373472558.db2.gz CLQHXWNKBMSPTI-UHFFFAOYSA-N 1 2 284.320 -1.337 20 0 CAADLO COC(=O)CN(C)C(=O)CC[N@@H+](C)Cc1nnnn1C ZINC000341603299 373472564 /nfs/dbraw/zinc/47/25/64/373472564.db2.gz CLQHXWNKBMSPTI-UHFFFAOYSA-N 1 2 284.320 -1.337 20 0 CAADLO CN(CCNC(=O)CN1CC[NH2+]CC1=O)CC(F)F ZINC000638797121 373476493 /nfs/dbraw/zinc/47/64/93/373476493.db2.gz ZGBWRCJPMJDBKX-UHFFFAOYSA-N 1 2 278.303 -1.269 20 0 CAADLO CC(=O)NC[C@H]1CCCCN1C(=O)CN1CC[NH2+]CC1=O ZINC000638794562 373477651 /nfs/dbraw/zinc/47/76/51/373477651.db2.gz UJIDHGTVDTXPRH-GFCCVEGCSA-N 1 2 296.371 -1.065 20 0 CAADLO CNC(=O)NC(=O)C[N@H+]1CC[C@H](NC(=O)NC)C1 ZINC000342363434 373477667 /nfs/dbraw/zinc/47/76/67/373477667.db2.gz QYCXONOUWLKHBY-ZETCQYMHSA-N 1 2 257.294 -1.555 20 0 CAADLO CNC(=O)NC(=O)C[N@@H+]1CC[C@H](NC(=O)NC)C1 ZINC000342363434 373477671 /nfs/dbraw/zinc/47/76/71/373477671.db2.gz QYCXONOUWLKHBY-ZETCQYMHSA-N 1 2 257.294 -1.555 20 0 CAADLO CC(C)Nc1nc(N[C@@H](C)CC(N)=O)nc(NCCO)[nH+]1 ZINC000342367344 373477811 /nfs/dbraw/zinc/47/78/11/373477811.db2.gz YQAZLZACKFOLBE-QMMMGPOBSA-N 1 2 297.363 -1.962 20 0 CAADLO CC(C)Nc1nc(NCCO)[nH+]c(N[C@@H](C)CC(N)=O)n1 ZINC000342367344 373477817 /nfs/dbraw/zinc/47/78/17/373477817.db2.gz YQAZLZACKFOLBE-QMMMGPOBSA-N 1 2 297.363 -1.962 20 0 CAADLO CC(C)Nc1nc(NCCO)nc(N[C@@H](C)CC(N)=O)[nH+]1 ZINC000342367344 373477820 /nfs/dbraw/zinc/47/78/20/373477820.db2.gz YQAZLZACKFOLBE-QMMMGPOBSA-N 1 2 297.363 -1.962 20 0 CAADLO CCN1CC[C@@H](NC(=O)[C@H](C)N2CC[NH2+]CC2=O)C1=O ZINC000638826758 373479285 /nfs/dbraw/zinc/47/92/85/373479285.db2.gz SQUZSGKKIVBWKB-VHSXEESVSA-N 1 2 282.344 -1.456 20 0 CAADLO CO[C@H]1C[C@@H](CNC(=O)CN2CC[NH2+]CC2=O)C1 ZINC000638809594 373479508 /nfs/dbraw/zinc/47/95/08/373479508.db2.gz SRPAGFTYJBHDRH-AOOOYVTPSA-N 1 2 255.318 -1.041 20 0 CAADLO CCN1CC[C@H](NC(=O)[C@@H](C)N2CC[NH2+]CC2=O)C1=O ZINC000638826759 373480404 /nfs/dbraw/zinc/48/04/04/373480404.db2.gz SQUZSGKKIVBWKB-ZJUUUORDSA-N 1 2 282.344 -1.456 20 0 CAADLO COC(=O)[C@@H]1[C@@H](O)CCC[N@@H+]1C[C@@](C)(O)C(=O)OC ZINC000330854067 373491608 /nfs/dbraw/zinc/49/16/08/373491608.db2.gz RVXXFQRUYKKUFY-HOTUBEGUSA-N 1 2 275.301 -1.091 20 0 CAADLO COC(=O)[C@@H]1[C@@H](O)CCC[N@H+]1C[C@@](C)(O)C(=O)OC ZINC000330854067 373491613 /nfs/dbraw/zinc/49/16/13/373491613.db2.gz RVXXFQRUYKKUFY-HOTUBEGUSA-N 1 2 275.301 -1.091 20 0 CAADLO COC(=O)[C@@H]1[C@@H](O)CCC[N@@H+]1CCN1C(=O)CNC1=O ZINC000331281450 373491761 /nfs/dbraw/zinc/49/17/61/373491761.db2.gz CFCHKXMJFNOHJY-WPRPVWTQSA-N 1 2 285.300 -1.259 20 0 CAADLO COC(=O)[C@@H]1[C@@H](O)CCC[N@H+]1CCN1C(=O)CNC1=O ZINC000331281450 373491768 /nfs/dbraw/zinc/49/17/68/373491768.db2.gz CFCHKXMJFNOHJY-WPRPVWTQSA-N 1 2 285.300 -1.259 20 0 CAADLO CNC(=O)C[N@H+](C)CC(=O)N1CCC[C@H](NC(C)=O)C1 ZINC000331044378 373492660 /nfs/dbraw/zinc/49/26/60/373492660.db2.gz FBOSVIMBVHJOJE-NSHDSACASA-N 1 2 284.360 -1.209 20 0 CAADLO CNC(=O)C[N@@H+](C)CC(=O)N1CCC[C@H](NC(C)=O)C1 ZINC000331044378 373492668 /nfs/dbraw/zinc/49/26/68/373492668.db2.gz FBOSVIMBVHJOJE-NSHDSACASA-N 1 2 284.360 -1.209 20 0 CAADLO COC(=O)[C@@H]1[C@H](O)CCC[N@@H+]1CCN1C(=O)CNC1=O ZINC000331281448 373492837 /nfs/dbraw/zinc/49/28/37/373492837.db2.gz CFCHKXMJFNOHJY-SCZZXKLOSA-N 1 2 285.300 -1.259 20 0 CAADLO COC(=O)[C@@H]1[C@H](O)CCC[N@H+]1CCN1C(=O)CNC1=O ZINC000331281448 373492845 /nfs/dbraw/zinc/49/28/45/373492845.db2.gz CFCHKXMJFNOHJY-SCZZXKLOSA-N 1 2 285.300 -1.259 20 0 CAADLO COC[C@@H](O)C[NH+]1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC000346559831 373534682 /nfs/dbraw/zinc/53/46/82/373534682.db2.gz BOAILTZDEJKHQH-LBPRGKRZSA-N 1 2 299.371 -1.240 20 0 CAADLO CNC(=O)N[C@H]1CC[N@H+](CC(=O)N[C@H](C)C(=O)N(C)C)C1 ZINC000334048586 373494823 /nfs/dbraw/zinc/49/48/23/373494823.db2.gz VDWJQJFCIGMLAK-ZJUUUORDSA-N 1 2 299.375 -1.417 20 0 CAADLO CNC(=O)N[C@H]1CC[N@@H+](CC(=O)N[C@H](C)C(=O)N(C)C)C1 ZINC000334048586 373494832 /nfs/dbraw/zinc/49/48/32/373494832.db2.gz VDWJQJFCIGMLAK-ZJUUUORDSA-N 1 2 299.375 -1.417 20 0 CAADLO COCC(=O)N1CC[NH+](CCN2CCNC2=O)CC1 ZINC000343357050 373505552 /nfs/dbraw/zinc/50/55/52/373505552.db2.gz SOAJPZLYDPZLFD-UHFFFAOYSA-N 1 2 270.333 -1.198 20 0 CAADLO NC(=O)[C@@H]1CC[C@H](C(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)O1 ZINC000343358438 373506647 /nfs/dbraw/zinc/50/66/47/373506647.db2.gz GOYUTWKNWHZLAQ-GRYCIOLGSA-N 1 2 297.355 -1.001 20 0 CAADLO NC(=O)[C@@H]1CC[C@H](C(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)O1 ZINC000343358438 373506663 /nfs/dbraw/zinc/50/66/63/373506663.db2.gz GOYUTWKNWHZLAQ-GRYCIOLGSA-N 1 2 297.355 -1.001 20 0 CAADLO CC(C)NC(=O)C[N@H+](C)CC(=O)N(C)CCC(N)=O ZINC000343525728 373510433 /nfs/dbraw/zinc/51/04/33/373510433.db2.gz KSDUNFZEORHMNH-UHFFFAOYSA-N 1 2 272.349 -1.223 20 0 CAADLO CC(C)NC(=O)C[N@@H+](C)CC(=O)N(C)CCC(N)=O ZINC000343525728 373510439 /nfs/dbraw/zinc/51/04/39/373510439.db2.gz KSDUNFZEORHMNH-UHFFFAOYSA-N 1 2 272.349 -1.223 20 0 CAADLO CNC(=O)C[N@H+](C)[C@H](C)C(=O)N(C)CC(=O)NC1CC1 ZINC000343593219 373510781 /nfs/dbraw/zinc/51/07/81/373510781.db2.gz VSEXWFTWQOGZQD-SECBINFHSA-N 1 2 284.360 -1.210 20 0 CAADLO CNC(=O)C[N@@H+](C)[C@H](C)C(=O)N(C)CC(=O)NC1CC1 ZINC000343593219 373510790 /nfs/dbraw/zinc/51/07/90/373510790.db2.gz VSEXWFTWQOGZQD-SECBINFHSA-N 1 2 284.360 -1.210 20 0 CAADLO NC(=O)[C@H]1CSCC[N@@H+]1CCN1CCNC1=O ZINC000343746000 373512127 /nfs/dbraw/zinc/51/21/27/373512127.db2.gz WMQXRUFLCZBSDN-MRVPVSSYSA-N 1 2 258.347 -1.086 20 0 CAADLO NC(=O)[C@H]1CSCC[N@H+]1CCN1CCNC1=O ZINC000343746000 373512132 /nfs/dbraw/zinc/51/21/32/373512132.db2.gz WMQXRUFLCZBSDN-MRVPVSSYSA-N 1 2 258.347 -1.086 20 0 CAADLO O=C(C[N@H+]1CCSC[C@@H]1CO)N1CCNC1=O ZINC000343762138 373512593 /nfs/dbraw/zinc/51/25/93/373512593.db2.gz KHHAVPYWRNQGBF-QMMMGPOBSA-N 1 2 259.331 -1.052 20 0 CAADLO O=C(C[N@@H+]1CCSC[C@@H]1CO)N1CCNC1=O ZINC000343762138 373512599 /nfs/dbraw/zinc/51/25/99/373512599.db2.gz KHHAVPYWRNQGBF-QMMMGPOBSA-N 1 2 259.331 -1.052 20 0 CAADLO COCCN1CC[N@H+](C[C@](C)(O)C(=O)OC)CC1=O ZINC000343717880 373513381 /nfs/dbraw/zinc/51/33/81/373513381.db2.gz SIETUFJRZJVGIS-LBPRGKRZSA-N 1 2 274.317 -1.299 20 0 CAADLO COCCN1CC[N@@H+](C[C@](C)(O)C(=O)OC)CC1=O ZINC000343717880 373513390 /nfs/dbraw/zinc/51/33/90/373513390.db2.gz SIETUFJRZJVGIS-LBPRGKRZSA-N 1 2 274.317 -1.299 20 0 CAADLO COCCN1CC[N@H+](C[C@@](C)(O)C(=O)OC)CC1=O ZINC000343717852 373513996 /nfs/dbraw/zinc/51/39/96/373513996.db2.gz SIETUFJRZJVGIS-GFCCVEGCSA-N 1 2 274.317 -1.299 20 0 CAADLO COCCN1CC[N@@H+](C[C@@](C)(O)C(=O)OC)CC1=O ZINC000343717852 373514007 /nfs/dbraw/zinc/51/40/07/373514007.db2.gz SIETUFJRZJVGIS-GFCCVEGCSA-N 1 2 274.317 -1.299 20 0 CAADLO C[C@](O)(CNS(C)(=O)=O)C[NH+]1CCOCC1 ZINC000343803817 373515462 /nfs/dbraw/zinc/51/54/62/373515462.db2.gz CHBAPBGFDDYNCD-VIFPVBQESA-N 1 2 252.336 -1.381 20 0 CAADLO C[C@H]1C[N@H+](CCN2CCNC2=O)CCN1S(C)(=O)=O ZINC000343778461 373515955 /nfs/dbraw/zinc/51/59/55/373515955.db2.gz YFMGDNLPEHTQRL-JTQLQIEISA-N 1 2 290.389 -1.023 20 0 CAADLO C[C@H]1C[N@@H+](CCN2CCNC2=O)CCN1S(C)(=O)=O ZINC000343778461 373515958 /nfs/dbraw/zinc/51/59/58/373515958.db2.gz YFMGDNLPEHTQRL-JTQLQIEISA-N 1 2 290.389 -1.023 20 0 CAADLO CNc1nc(NC[C@@H](C)CO)nc(NC[C@H](C)CO)[nH+]1 ZINC000343927768 373516778 /nfs/dbraw/zinc/51/67/78/373516778.db2.gz UJYBFSJWIBNYEX-DTORHVGOSA-N 1 2 284.364 -1.740 20 0 CAADLO CNc1nc(NC[C@H](C)CO)nc(NC[C@@H](C)CO)[nH+]1 ZINC000343927768 373516786 /nfs/dbraw/zinc/51/67/86/373516786.db2.gz UJYBFSJWIBNYEX-DTORHVGOSA-N 1 2 284.364 -1.740 20 0 CAADLO CNc1nc(NC[C@@H](C)CO)[nH+]c(NC[C@H](C)CO)n1 ZINC000343927768 373516790 /nfs/dbraw/zinc/51/67/90/373516790.db2.gz UJYBFSJWIBNYEX-DTORHVGOSA-N 1 2 284.364 -1.740 20 0 CAADLO CNc1nc(N2CC[C@@H](O)C2)nc(N2CC[C@H](O)C2)[nH+]1 ZINC000343816790 373516829 /nfs/dbraw/zinc/51/68/29/373516829.db2.gz BFYWOAVRSVCYQS-DTORHVGOSA-N 1 2 280.332 -1.523 20 0 CAADLO CNc1nc(N2CC[C@H](O)C2)nc(N2CC[C@@H](O)C2)[nH+]1 ZINC000343816790 373516840 /nfs/dbraw/zinc/51/68/40/373516840.db2.gz BFYWOAVRSVCYQS-DTORHVGOSA-N 1 2 280.332 -1.523 20 0 CAADLO C[C@@H]1C[N@H+](CCN2CCNC2=O)CCN1S(C)(=O)=O ZINC000343778469 373517357 /nfs/dbraw/zinc/51/73/57/373517357.db2.gz YFMGDNLPEHTQRL-SNVBAGLBSA-N 1 2 290.389 -1.023 20 0 CAADLO C[C@@H]1C[N@@H+](CCN2CCNC2=O)CCN1S(C)(=O)=O ZINC000343778469 373517367 /nfs/dbraw/zinc/51/73/67/373517367.db2.gz YFMGDNLPEHTQRL-SNVBAGLBSA-N 1 2 290.389 -1.023 20 0 CAADLO CNC(=O)N1CC[NH+](C[C@@](C)(O)C(=O)OC)CC1 ZINC000343787916 373517659 /nfs/dbraw/zinc/51/76/59/373517659.db2.gz FPHMWTCXJDYNSF-LLVKDONJSA-N 1 2 259.306 -1.133 20 0 CAADLO CC[C@H]1C[N@H+](CCNC(=O)CNC(N)=O)CCO1 ZINC000344122741 373521854 /nfs/dbraw/zinc/52/18/54/373521854.db2.gz VKNYMSPKMYXSRR-VIFPVBQESA-N 1 2 258.322 -1.118 20 0 CAADLO CC[C@H]1C[N@@H+](CCNC(=O)CNC(N)=O)CCO1 ZINC000344122741 373521867 /nfs/dbraw/zinc/52/18/67/373521867.db2.gz VKNYMSPKMYXSRR-VIFPVBQESA-N 1 2 258.322 -1.118 20 0 CAADLO CC[C@@H]1C[N@H+](CCNC(=O)CNC(N)=O)CCO1 ZINC000344122740 373522327 /nfs/dbraw/zinc/52/23/27/373522327.db2.gz VKNYMSPKMYXSRR-SECBINFHSA-N 1 2 258.322 -1.118 20 0 CAADLO CC[C@@H]1C[N@@H+](CCNC(=O)CNC(N)=O)CCO1 ZINC000344122740 373522330 /nfs/dbraw/zinc/52/23/30/373522330.db2.gz VKNYMSPKMYXSRR-SECBINFHSA-N 1 2 258.322 -1.118 20 0 CAADLO O=C(C[N@@H+]1CCC[C@H]2C(=O)NC[C@H]21)N1CCNC(=O)C1 ZINC000366885940 373524633 /nfs/dbraw/zinc/52/46/33/373524633.db2.gz QQGYBWBQBFSOIX-NXEZZACHSA-N 1 2 280.328 -1.845 20 0 CAADLO O=C(C[N@H+]1CCC[C@H]2C(=O)NC[C@H]21)N1CCNC(=O)C1 ZINC000366885940 373524646 /nfs/dbraw/zinc/52/46/46/373524646.db2.gz QQGYBWBQBFSOIX-NXEZZACHSA-N 1 2 280.328 -1.845 20 0 CAADLO CN(C)S(=O)(=O)CC(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000345198126 373528612 /nfs/dbraw/zinc/52/86/12/373528612.db2.gz LZFQOHDNFRMQNI-JTQLQIEISA-N 1 2 290.389 -2.006 20 0 CAADLO COC(=O)[C@@H](O)CNC(=O)C[N@H+](C)CC(=O)NC(C)C ZINC000345280691 373528727 /nfs/dbraw/zinc/52/87/27/373528727.db2.gz DCRJMYAAMJHRRO-VIFPVBQESA-N 1 2 289.332 -1.907 20 0 CAADLO COC(=O)[C@@H](O)CNC(=O)C[N@@H+](C)CC(=O)NC(C)C ZINC000345280691 373528730 /nfs/dbraw/zinc/52/87/30/373528730.db2.gz DCRJMYAAMJHRRO-VIFPVBQESA-N 1 2 289.332 -1.907 20 0 CAADLO COCC(=O)NCC(=O)NCC[NH+]1CCOCC1 ZINC000346561469 373536564 /nfs/dbraw/zinc/53/65/64/373536564.db2.gz AJVXIUIMNJILRL-UHFFFAOYSA-N 1 2 259.306 -1.803 20 0 CAADLO CCS(=O)(=O)N1CC[NH+](CCOCCO)CC1 ZINC000074353245 373529612 /nfs/dbraw/zinc/52/96/12/373529612.db2.gz UCZLQXYFRCZIHN-UHFFFAOYSA-N 1 2 266.363 -1.037 20 0 CAADLO NC(=O)[C@H]1[C@H]2CCC[C@H]2C[N@@H+]1Cc1nc(N)nc(N)n1 ZINC000346613917 373536788 /nfs/dbraw/zinc/53/67/88/373536788.db2.gz HESQRDDTQLYCJA-ACLDMZEESA-N 1 2 277.332 -1.217 20 0 CAADLO NC(=O)[C@H]1[C@H]2CCC[C@H]2C[N@H+]1Cc1nc(N)nc(N)n1 ZINC000346613917 373536795 /nfs/dbraw/zinc/53/67/95/373536795.db2.gz HESQRDDTQLYCJA-ACLDMZEESA-N 1 2 277.332 -1.217 20 0 CAADLO CCNS(=O)(=O)NCC[NH+]1CCN(C(C)=O)CC1 ZINC000346417267 373532925 /nfs/dbraw/zinc/53/29/25/373532925.db2.gz AJTHBMCNDYVEEL-UHFFFAOYSA-N 1 2 278.378 -1.406 20 0 CAADLO CNC(=O)NC(=O)C[N@@H+]1CCN2C(=O)CC[C@@H]2C1 ZINC000346469467 373532985 /nfs/dbraw/zinc/53/29/85/373532985.db2.gz YOUDMCCXJPXBJQ-MRVPVSSYSA-N 1 2 254.290 -1.251 20 0 CAADLO CNC(=O)NC(=O)C[N@H+]1CCN2C(=O)CC[C@@H]2C1 ZINC000346469467 373532989 /nfs/dbraw/zinc/53/29/89/373532989.db2.gz YOUDMCCXJPXBJQ-MRVPVSSYSA-N 1 2 254.290 -1.251 20 0 CAADLO COC(=O)CCNC(=O)C[N@@H+]1CCN2C(=O)CC[C@H]2C1 ZINC000346446591 373533599 /nfs/dbraw/zinc/53/35/99/373533599.db2.gz BBVFLVORGBNSDA-JTQLQIEISA-N 1 2 283.328 -1.028 20 0 CAADLO COC(=O)CCNC(=O)C[N@H+]1CCN2C(=O)CC[C@H]2C1 ZINC000346446591 373533612 /nfs/dbraw/zinc/53/36/12/373533612.db2.gz BBVFLVORGBNSDA-JTQLQIEISA-N 1 2 283.328 -1.028 20 0 CAADLO CCS(=O)(=O)NCC(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000535411037 373485843 /nfs/dbraw/zinc/48/58/43/373485843.db2.gz HSPWFHCXRTYEDD-JTQLQIEISA-N 1 2 293.389 -1.237 20 0 CAADLO CCS(=O)(=O)NCC(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000535411037 373485851 /nfs/dbraw/zinc/48/58/51/373485851.db2.gz HSPWFHCXRTYEDD-JTQLQIEISA-N 1 2 293.389 -1.237 20 0 CAADLO O=C1NC[C@@H]2C[N@H+]([C@@H]3CCCNC3=O)CCN2C1=O ZINC000328616744 373486068 /nfs/dbraw/zinc/48/60/68/373486068.db2.gz SUMWCFVFXJKPKC-RKDXNWHRSA-N 1 2 266.301 -1.252 20 0 CAADLO O=C1NC[C@@H]2C[N@@H+]([C@@H]3CCCNC3=O)CCN2C1=O ZINC000328616744 373486074 /nfs/dbraw/zinc/48/60/74/373486074.db2.gz SUMWCFVFXJKPKC-RKDXNWHRSA-N 1 2 266.301 -1.252 20 0 CAADLO O=C1NC[C@H]2C[N@H+]([C@H]3CCCNC3=O)CCN2C1=O ZINC000328616743 373486378 /nfs/dbraw/zinc/48/63/78/373486378.db2.gz SUMWCFVFXJKPKC-IUCAKERBSA-N 1 2 266.301 -1.252 20 0 CAADLO O=C1NC[C@H]2C[N@@H+]([C@H]3CCCNC3=O)CCN2C1=O ZINC000328616743 373486384 /nfs/dbraw/zinc/48/63/84/373486384.db2.gz SUMWCFVFXJKPKC-IUCAKERBSA-N 1 2 266.301 -1.252 20 0 CAADLO CNS(=O)(=O)NCC(=O)N(C)CC[NH+]1CCOCC1 ZINC000330450900 373488265 /nfs/dbraw/zinc/48/82/65/373488265.db2.gz JZKFNBNUGZNVDM-UHFFFAOYSA-N 1 2 294.377 -2.169 20 0 CAADLO O=C(NC[C@H](O)C[NH+]1CCOCC1)c1ccn[nH]1 ZINC000330455490 373489190 /nfs/dbraw/zinc/48/91/90/373489190.db2.gz OASYMHBWTNKSDY-VIFPVBQESA-N 1 2 254.290 -1.167 20 0 CAADLO COCC(=O)N(CC[NH+]1CCOCC1)CC(=O)OC ZINC000346488789 373534365 /nfs/dbraw/zinc/53/43/65/373534365.db2.gz IHXATOBZNJEBLV-UHFFFAOYSA-N 1 2 274.317 -1.033 20 0 CAADLO CNC(=O)N1CC[NH+](CCCN2C(=O)CNC2=O)CC1 ZINC000346501123 373534415 /nfs/dbraw/zinc/53/44/15/373534415.db2.gz ZKFZRUFVTCWORQ-UHFFFAOYSA-N 1 2 283.332 -1.115 20 0 CAADLO CCNC(=O)C[N@@H+]1CCCN(S(=O)(=O)NC)CC1 ZINC000351685058 373579168 /nfs/dbraw/zinc/57/91/68/373579168.db2.gz AXCHTKQSORIDKE-UHFFFAOYSA-N 1 2 278.378 -1.406 20 0 CAADLO CCNC(=O)C[N@H+]1CCCN(S(=O)(=O)NC)CC1 ZINC000351685058 373579173 /nfs/dbraw/zinc/57/91/73/373579173.db2.gz AXCHTKQSORIDKE-UHFFFAOYSA-N 1 2 278.378 -1.406 20 0 CAADLO COC(=O)[C@@H](NC(=O)C[N@H+]1C[C@@H](O)[C@@H](O)C1)C(C)C ZINC000351635883 373579857 /nfs/dbraw/zinc/57/98/57/373579857.db2.gz QVAGURAWQHOMBH-NGZCFLSTSA-N 1 2 274.317 -1.662 20 0 CAADLO COC(=O)[C@@H](NC(=O)C[N@@H+]1C[C@@H](O)[C@@H](O)C1)C(C)C ZINC000351635883 373579866 /nfs/dbraw/zinc/57/98/66/373579866.db2.gz QVAGURAWQHOMBH-NGZCFLSTSA-N 1 2 274.317 -1.662 20 0 CAADLO CN(CC(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C)S(C)(=O)=O ZINC000351702331 373580245 /nfs/dbraw/zinc/58/02/45/373580245.db2.gz HXNPAGOYSCYACT-ZJUUUORDSA-N 1 2 291.373 -1.581 20 0 CAADLO CN(CC(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C)S(C)(=O)=O ZINC000351702331 373580250 /nfs/dbraw/zinc/58/02/50/373580250.db2.gz HXNPAGOYSCYACT-ZJUUUORDSA-N 1 2 291.373 -1.581 20 0 CAADLO O=C(N[C@@H](CO)C[NH+]1CCOCC1)[C@@H]1CCCNC1=O ZINC000632855323 373596675 /nfs/dbraw/zinc/59/66/75/373596675.db2.gz QSBZNDZHKMSXQK-GHMZBOCLSA-N 1 2 285.344 -1.678 20 0 CAADLO C[C@@H]1C[C@@H](O)C[N@@H+]1Cc1nc2c([nH]1)n(C)c(=O)n(C)c2=O ZINC000331527822 373583322 /nfs/dbraw/zinc/58/33/22/373583322.db2.gz QODAWUOWCWPSAP-HTQZYQBOSA-N 1 2 293.327 -1.085 20 0 CAADLO C[C@@H]1C[C@@H](O)C[N@H+]1Cc1nc2c([nH]1)n(C)c(=O)n(C)c2=O ZINC000331527822 373583329 /nfs/dbraw/zinc/58/33/29/373583329.db2.gz QODAWUOWCWPSAP-HTQZYQBOSA-N 1 2 293.327 -1.085 20 0 CAADLO CN1CCN(CC(=O)N[C@@H]2Cc3c[nH+]cn3C2)CC1=O ZINC000623261948 373583357 /nfs/dbraw/zinc/58/33/57/373583357.db2.gz IPLWWNUUGZSXPW-SNVBAGLBSA-N 1 2 277.328 -1.302 20 0 CAADLO Cc1nn(CC(=O)NCC[NH+]2CCOCC2)c(=O)o1 ZINC000639451155 373583473 /nfs/dbraw/zinc/58/34/73/373583473.db2.gz LDAMQCOTINOYNC-UHFFFAOYSA-N 1 2 270.289 -1.407 20 0 CAADLO C[C@@H]1C[N@H+](CCNC(=O)Cn2ncn(C)c2=O)[C@@H](C)CO1 ZINC000617728795 373584657 /nfs/dbraw/zinc/58/46/57/373584657.db2.gz YDFOWVJDMKPLLX-WDEREUQCSA-N 1 2 297.359 -1.193 20 0 CAADLO C[C@@H]1C[N@@H+](CCNC(=O)Cn2ncn(C)c2=O)[C@@H](C)CO1 ZINC000617728795 373584666 /nfs/dbraw/zinc/58/46/66/373584666.db2.gz YDFOWVJDMKPLLX-WDEREUQCSA-N 1 2 297.359 -1.193 20 0 CAADLO C[C@@H]1C[N@H+](CCNC(=O)[C@@H]2CC(=O)NC(=O)N2)[C@H](C)CO1 ZINC000617723138 373585300 /nfs/dbraw/zinc/58/53/00/373585300.db2.gz JLBWYHGOLHGTTB-BBBLOLIVSA-N 1 2 298.343 -1.190 20 0 CAADLO C[C@@H]1C[N@@H+](CCNC(=O)[C@@H]2CC(=O)NC(=O)N2)[C@H](C)CO1 ZINC000617723138 373585305 /nfs/dbraw/zinc/58/53/05/373585305.db2.gz JLBWYHGOLHGTTB-BBBLOLIVSA-N 1 2 298.343 -1.190 20 0 CAADLO C[C@H]1C[N@H+](CCNC(=O)Cn2ncn(C)c2=O)[C@@H](C)CO1 ZINC000617728794 373585323 /nfs/dbraw/zinc/58/53/23/373585323.db2.gz YDFOWVJDMKPLLX-QWRGUYRKSA-N 1 2 297.359 -1.193 20 0 CAADLO C[C@H]1C[N@@H+](CCNC(=O)Cn2ncn(C)c2=O)[C@@H](C)CO1 ZINC000617728794 373585331 /nfs/dbraw/zinc/58/53/31/373585331.db2.gz YDFOWVJDMKPLLX-QWRGUYRKSA-N 1 2 297.359 -1.193 20 0 CAADLO C[C@H]1C[N@H+](CCNC(=O)Cn2cnnn2)[C@@H](C)CO1 ZINC000617740116 373585376 /nfs/dbraw/zinc/58/53/76/373585376.db2.gz BFKDDGRKWNUYSL-UWVGGRQHSA-N 1 2 268.321 -1.102 20 0 CAADLO C[C@H]1C[N@@H+](CCNC(=O)Cn2cnnn2)[C@@H](C)CO1 ZINC000617740116 373585385 /nfs/dbraw/zinc/58/53/85/373585385.db2.gz BFKDDGRKWNUYSL-UWVGGRQHSA-N 1 2 268.321 -1.102 20 0 CAADLO C[C@H]1C[N@H+](CCNC(=O)[C@@H]2CC(=O)NC(=O)N2)[C@@H](C)CO1 ZINC000617723139 373585399 /nfs/dbraw/zinc/58/53/99/373585399.db2.gz JLBWYHGOLHGTTB-GUBZILKMSA-N 1 2 298.343 -1.190 20 0 CAADLO C[C@H]1C[N@@H+](CCNC(=O)[C@@H]2CC(=O)NC(=O)N2)[C@@H](C)CO1 ZINC000617723139 373585404 /nfs/dbraw/zinc/58/54/04/373585404.db2.gz JLBWYHGOLHGTTB-GUBZILKMSA-N 1 2 298.343 -1.190 20 0 CAADLO C[C@@H]1C[N@H+](CCNC(=O)C[C@@H]2NC(=O)NC2=O)[C@H](C)CO1 ZINC000617727416 373585587 /nfs/dbraw/zinc/58/55/87/373585587.db2.gz IPAZYSXPYWIYRR-BBBLOLIVSA-N 1 2 298.343 -1.190 20 0 CAADLO C[C@@H]1C[N@@H+](CCNC(=O)C[C@@H]2NC(=O)NC2=O)[C@H](C)CO1 ZINC000617727416 373585591 /nfs/dbraw/zinc/58/55/91/373585591.db2.gz IPAZYSXPYWIYRR-BBBLOLIVSA-N 1 2 298.343 -1.190 20 0 CAADLO C[C@@H]1C[N@H+](CCNC(=O)CN2CC(=O)NC2=O)[C@H](C)CO1 ZINC000617732183 373585814 /nfs/dbraw/zinc/58/58/14/373585814.db2.gz BRXPGUOCFZRQDO-NXEZZACHSA-N 1 2 298.343 -1.236 20 0 CAADLO C[C@@H]1C[N@@H+](CCNC(=O)CN2CC(=O)NC2=O)[C@H](C)CO1 ZINC000617732183 373585818 /nfs/dbraw/zinc/58/58/18/373585818.db2.gz BRXPGUOCFZRQDO-NXEZZACHSA-N 1 2 298.343 -1.236 20 0 CAADLO C[C@H]1C[N@H+](CCNC(=O)CNC(N)=O)[C@@H](C)CO1 ZINC000617744320 373588078 /nfs/dbraw/zinc/58/80/78/373588078.db2.gz WCCRAVJUEVLGOX-IUCAKERBSA-N 1 2 258.322 -1.120 20 0 CAADLO C[C@H]1C[N@@H+](CCNC(=O)CNC(N)=O)[C@@H](C)CO1 ZINC000617744320 373588081 /nfs/dbraw/zinc/58/80/81/373588081.db2.gz WCCRAVJUEVLGOX-IUCAKERBSA-N 1 2 258.322 -1.120 20 0 CAADLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)Cn1cnnn1 ZINC000617740118 373588312 /nfs/dbraw/zinc/58/83/12/373588312.db2.gz BFKDDGRKWNUYSL-ZJUUUORDSA-N 1 2 268.321 -1.102 20 0 CAADLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)Cn1cnnn1 ZINC000617740118 373588313 /nfs/dbraw/zinc/58/83/13/373588313.db2.gz BFKDDGRKWNUYSL-ZJUUUORDSA-N 1 2 268.321 -1.102 20 0 CAADLO Cc1nn(CC(=O)NCC[N@H+]2CCOC[C@@H]2C)c(=O)o1 ZINC000639678930 373597091 /nfs/dbraw/zinc/59/70/91/373597091.db2.gz HGGGZBOSBNQANB-VIFPVBQESA-N 1 2 284.316 -1.018 20 0 CAADLO Cc1nn(CC(=O)NCC[N@@H+]2CCOC[C@@H]2C)c(=O)o1 ZINC000639678930 373597101 /nfs/dbraw/zinc/59/71/01/373597101.db2.gz HGGGZBOSBNQANB-VIFPVBQESA-N 1 2 284.316 -1.018 20 0 CAADLO CN(CCC(N)=O)S(=O)(=O)CCC[NH+]1CCOCC1 ZINC000352539508 373591586 /nfs/dbraw/zinc/59/15/86/373591586.db2.gz YNVVFEJQRGDBLZ-UHFFFAOYSA-N 1 2 293.389 -1.154 20 0 CAADLO CNC(=O)NC(=O)[C@@H](C)[N@H+](C)[C@@H]1CCN(C)C1=O ZINC000352669377 373591752 /nfs/dbraw/zinc/59/17/52/373591752.db2.gz ZKKXLNLGJCPEQG-HTQZYQBOSA-N 1 2 256.306 -1.007 20 0 CAADLO CNC(=O)NC(=O)[C@@H](C)[N@@H+](C)[C@@H]1CCN(C)C1=O ZINC000352669377 373591758 /nfs/dbraw/zinc/59/17/58/373591758.db2.gz ZKKXLNLGJCPEQG-HTQZYQBOSA-N 1 2 256.306 -1.007 20 0 CAADLO Cc1nn(CC(=O)NCC[N@@H+]2CCO[C@H](C)C2)c(=O)o1 ZINC000639637452 373594128 /nfs/dbraw/zinc/59/41/28/373594128.db2.gz GVYQNBHITPJSCS-SECBINFHSA-N 1 2 284.316 -1.018 20 0 CAADLO Cc1nn(CC(=O)NCC[N@H+]2CCO[C@H](C)C2)c(=O)o1 ZINC000639637452 373594134 /nfs/dbraw/zinc/59/41/34/373594134.db2.gz GVYQNBHITPJSCS-SECBINFHSA-N 1 2 284.316 -1.018 20 0 CAADLO COC(=O)C[N@@H+]1CCC[C@H](CNS(N)(=O)=O)C1 ZINC000346680323 373539999 /nfs/dbraw/zinc/53/99/99/373539999.db2.gz WXRMNXDRDKWEJN-MRVPVSSYSA-N 1 2 265.335 -1.336 20 0 CAADLO COC(=O)C[N@H+]1CCC[C@H](CNS(N)(=O)=O)C1 ZINC000346680323 373540003 /nfs/dbraw/zinc/54/00/03/373540003.db2.gz WXRMNXDRDKWEJN-MRVPVSSYSA-N 1 2 265.335 -1.336 20 0 CAADLO COC(=O)[C@@]1([NH2+]CCCC(=O)NC(N)=O)CCOC1 ZINC000348117952 373542002 /nfs/dbraw/zinc/54/20/02/373542002.db2.gz WJMZZKGQLOBIBX-LLVKDONJSA-N 1 2 273.289 -1.117 20 0 CAADLO COC[C@@H](O)C[N@@H+]1CCNC(=O)[C@H]1CC(=O)OC ZINC000348036741 373542252 /nfs/dbraw/zinc/54/22/52/373542252.db2.gz JHJXXDPEJOEACX-DTWKUNHWSA-N 1 2 260.290 -1.643 20 0 CAADLO COC[C@@H](O)C[N@H+]1CCNC(=O)[C@H]1CC(=O)OC ZINC000348036741 373542259 /nfs/dbraw/zinc/54/22/59/373542259.db2.gz JHJXXDPEJOEACX-DTWKUNHWSA-N 1 2 260.290 -1.643 20 0 CAADLO COC(=O)[C@]1([NH2+]CCCC(=O)NC(N)=O)CCOC1 ZINC000348117953 373542810 /nfs/dbraw/zinc/54/28/10/373542810.db2.gz WJMZZKGQLOBIBX-NSHDSACASA-N 1 2 273.289 -1.117 20 0 CAADLO COC(=O)CN(CC[NH+]1CCOCC1)CC(=O)N(C)C ZINC000348090822 373543360 /nfs/dbraw/zinc/54/33/60/373543360.db2.gz WVCSXNDKDIDOEY-UHFFFAOYSA-N 1 2 287.360 -1.118 20 0 CAADLO CC(C)(C)n1nnnc1C[N@@H+]1CC[C@](O)(C(N)=O)C1 ZINC000348212754 373545332 /nfs/dbraw/zinc/54/53/32/373545332.db2.gz UUMAXRUPJAZRBG-LLVKDONJSA-N 1 2 268.321 -1.150 20 0 CAADLO CC(C)(C)n1nnnc1C[N@H+]1CC[C@](O)(C(N)=O)C1 ZINC000348212754 373545340 /nfs/dbraw/zinc/54/53/40/373545340.db2.gz UUMAXRUPJAZRBG-LLVKDONJSA-N 1 2 268.321 -1.150 20 0 CAADLO NC(=O)[C@]1(O)CC[N@H+](CC(=O)Nc2ccncc2)C1 ZINC000348184828 373545534 /nfs/dbraw/zinc/54/55/34/373545534.db2.gz MLAUEKMPTPFVQS-LBPRGKRZSA-N 1 2 264.285 -1.636 20 0 CAADLO NC(=O)[C@]1(O)CC[N@@H+](CC(=O)Nc2ccncc2)C1 ZINC000348184828 373545544 /nfs/dbraw/zinc/54/55/44/373545544.db2.gz MLAUEKMPTPFVQS-LBPRGKRZSA-N 1 2 264.285 -1.636 20 0 CAADLO NC(=O)[C@@]1(O)CC[N@H+](CC(=O)Nc2ccncc2)C1 ZINC000348184819 373545825 /nfs/dbraw/zinc/54/58/25/373545825.db2.gz MLAUEKMPTPFVQS-GFCCVEGCSA-N 1 2 264.285 -1.636 20 0 CAADLO NC(=O)[C@@]1(O)CC[N@@H+](CC(=O)Nc2ccncc2)C1 ZINC000348184819 373545832 /nfs/dbraw/zinc/54/58/32/373545832.db2.gz MLAUEKMPTPFVQS-GFCCVEGCSA-N 1 2 264.285 -1.636 20 0 CAADLO CNS(=O)(=O)NCC(=O)NCc1c[nH+]ccc1OC ZINC000348309832 373548856 /nfs/dbraw/zinc/54/88/56/373548856.db2.gz BLRGEQNDSRSWOA-UHFFFAOYSA-N 1 2 288.329 -1.240 20 0 CAADLO COCCN(C)S(=O)(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000348324584 373549158 /nfs/dbraw/zinc/54/91/58/373549158.db2.gz DGZYBKSEHNZVBL-NSHDSACASA-N 1 2 294.421 -1.355 20 0 CAADLO COCCN(C)S(=O)(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000348324584 373549167 /nfs/dbraw/zinc/54/91/67/373549167.db2.gz DGZYBKSEHNZVBL-NSHDSACASA-N 1 2 294.421 -1.355 20 0 CAADLO COCCN(C)S(=O)(=O)NC[C@H]1CN(C)CC[N@@H+]1C ZINC000348324584 373549170 /nfs/dbraw/zinc/54/91/70/373549170.db2.gz DGZYBKSEHNZVBL-NSHDSACASA-N 1 2 294.421 -1.355 20 0 CAADLO COCCN(C)S(=O)(=O)NC[C@H]1CN(C)CC[N@H+]1C ZINC000348324584 373549178 /nfs/dbraw/zinc/54/91/78/373549178.db2.gz DGZYBKSEHNZVBL-NSHDSACASA-N 1 2 294.421 -1.355 20 0 CAADLO CCOC(=O)C1(O)CC[NH+]([C@H](C)C(=O)NC(N)=O)CC1 ZINC000348540838 373551234 /nfs/dbraw/zinc/55/12/34/373551234.db2.gz MHWZLAKZIKFXJL-MRVPVSSYSA-N 1 2 287.316 -1.040 20 0 CAADLO CNC(=O)C[N@@H+]1CCCN(S(=O)(=O)N(C)C)CC1 ZINC000353941204 373553935 /nfs/dbraw/zinc/55/39/35/373553935.db2.gz VCXKMSSELFUJAJ-UHFFFAOYSA-N 1 2 278.378 -1.454 20 0 CAADLO CNC(=O)C[N@H+]1CCCN(S(=O)(=O)N(C)C)CC1 ZINC000353941204 373553946 /nfs/dbraw/zinc/55/39/46/373553946.db2.gz VCXKMSSELFUJAJ-UHFFFAOYSA-N 1 2 278.378 -1.454 20 0 CAADLO CNC(=O)NCC(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000535567427 373554457 /nfs/dbraw/zinc/55/44/57/373554457.db2.gz ZJVIZFKFCFYCOB-VIFPVBQESA-N 1 2 258.322 -1.248 20 0 CAADLO CNC(=O)NCC(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000535567427 373554467 /nfs/dbraw/zinc/55/44/67/373554467.db2.gz ZJVIZFKFCFYCOB-VIFPVBQESA-N 1 2 258.322 -1.248 20 0 CAADLO O=C(CN1CCCNC1=O)NCCC[N@@H+]1CCNC(=O)C1 ZINC000536546715 373558986 /nfs/dbraw/zinc/55/89/86/373558986.db2.gz BADKHDKKZWHILZ-UHFFFAOYSA-N 1 2 297.359 -1.660 20 0 CAADLO O=C(CN1CCCNC1=O)NCCC[N@H+]1CCNC(=O)C1 ZINC000536546715 373558990 /nfs/dbraw/zinc/55/89/90/373558990.db2.gz BADKHDKKZWHILZ-UHFFFAOYSA-N 1 2 297.359 -1.660 20 0 CAADLO Cn1nnc(C[N@@H+]2C[C@]3(C)C(=O)NC(=O)[C@]3(C)C2)n1 ZINC000639365503 373560465 /nfs/dbraw/zinc/56/04/65/373560465.db2.gz PKLRFEBTZNTCML-PHIMTYICSA-N 1 2 264.289 -1.305 20 0 CAADLO Cn1nnc(C[N@H+]2C[C@]3(C)C(=O)NC(=O)[C@]3(C)C2)n1 ZINC000639365503 373560474 /nfs/dbraw/zinc/56/04/74/373560474.db2.gz PKLRFEBTZNTCML-PHIMTYICSA-N 1 2 264.289 -1.305 20 0 CAADLO CN(C)S(=O)(=O)N1CC([NH2+]Cc2ncnn2C)C1 ZINC000639355924 373560640 /nfs/dbraw/zinc/56/06/40/373560640.db2.gz CALCRVTXTURNKP-UHFFFAOYSA-N 1 2 274.350 -1.605 20 0 CAADLO CC1(C)C(=O)NCCN1C[C@@H](O)C[NH+]1CCOCC1 ZINC000114898064 373561031 /nfs/dbraw/zinc/56/10/31/373561031.db2.gz WHFDKNRVOKBJBL-NSHDSACASA-N 1 2 271.361 -1.110 20 0 CAADLO CC1(C)C(=O)NCC[N@H+]1C[C@@H](O)CN1CCOCC1 ZINC000114898064 373561040 /nfs/dbraw/zinc/56/10/40/373561040.db2.gz WHFDKNRVOKBJBL-NSHDSACASA-N 1 2 271.361 -1.110 20 0 CAADLO CC1(C)C(=O)NCC[N@@H+]1C[C@@H](O)CN1CCOCC1 ZINC000114898064 373561045 /nfs/dbraw/zinc/56/10/45/373561045.db2.gz WHFDKNRVOKBJBL-NSHDSACASA-N 1 2 271.361 -1.110 20 0 CAADLO COC[C@@H](O)C[NH+]1CCN(Cc2nc[nH]n2)CC1 ZINC000639722380 373595692 /nfs/dbraw/zinc/59/56/92/373595692.db2.gz ZJDJQVDOVUBNLC-JTQLQIEISA-N 1 2 255.322 -1.070 20 0 CAADLO COC[C@@H](O)C[NH+]1CCN(Cc2nnc[nH]2)CC1 ZINC000639722380 373595694 /nfs/dbraw/zinc/59/56/94/373595694.db2.gz ZJDJQVDOVUBNLC-JTQLQIEISA-N 1 2 255.322 -1.070 20 0 CAADLO Cn1[nH]cnc1=NC(=O)N1C[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000329184314 373564923 /nfs/dbraw/zinc/56/49/23/373564923.db2.gz PTSXRJNWWXAMSQ-DTWKUNHWSA-N 1 2 266.305 -1.216 20 0 CAADLO Cn1[nH]cnc1=NC(=O)N1C[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000329184314 373564930 /nfs/dbraw/zinc/56/49/30/373564930.db2.gz PTSXRJNWWXAMSQ-DTWKUNHWSA-N 1 2 266.305 -1.216 20 0 CAADLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1Cc1nc(N)nc(N)n1 ZINC000352882474 373595790 /nfs/dbraw/zinc/59/57/90/373595790.db2.gz HIZMUMHRXRSKBH-NXEZZACHSA-N 1 2 293.375 -1.008 20 0 CAADLO C[C@@H]1C[C@@H](N2CCOCC2)C[N@@H+]1Cc1nc(N)nc(N)n1 ZINC000352882474 373595791 /nfs/dbraw/zinc/59/57/91/373595791.db2.gz HIZMUMHRXRSKBH-NXEZZACHSA-N 1 2 293.375 -1.008 20 0 CAADLO C[C@@H]1C[C@@H](N2CCOCC2)C[N@H+]1Cc1nc(N)nc(N)n1 ZINC000352882474 373595795 /nfs/dbraw/zinc/59/57/95/373595795.db2.gz HIZMUMHRXRSKBH-NXEZZACHSA-N 1 2 293.375 -1.008 20 0 CAADLO C[N@H+](CC(=O)N1CCNC(=O)C1)[C@]1(CO)CCOC1 ZINC000329319760 373565863 /nfs/dbraw/zinc/56/58/63/373565863.db2.gz TXVKXFBNVQKDNZ-LBPRGKRZSA-N 1 2 271.317 -1.132 20 0 CAADLO C[N@@H+](CC(=O)N1CCNC(=O)C1)[C@]1(CO)CCOC1 ZINC000329319760 373565866 /nfs/dbraw/zinc/56/58/66/373565866.db2.gz TXVKXFBNVQKDNZ-LBPRGKRZSA-N 1 2 271.317 -1.132 20 0 CAADLO O[C@H](CN1CCN(c2nc[nH]n2)CC1)C[NH+]1CCOCC1 ZINC000639728000 373595839 /nfs/dbraw/zinc/59/58/39/373595839.db2.gz BZIXFWCPYYROCS-GFCCVEGCSA-N 1 2 296.375 -1.380 20 0 CAADLO C[C@H]1NC(=O)N(CC[NH+]2CCN(c3nc[nH]n3)CC2)C1=O ZINC000639732317 373595850 /nfs/dbraw/zinc/59/58/50/373595850.db2.gz QRLSYJISBZPAIK-SECBINFHSA-N 1 2 293.331 -1.133 20 0 CAADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)CCNS(C)(=O)=O ZINC000520526206 373569061 /nfs/dbraw/zinc/56/90/61/373569061.db2.gz UDNHUHNGLGIWSW-SNVBAGLBSA-N 1 2 293.389 -1.237 20 0 CAADLO C[C@@H]1COCC[N@H+]1CCNC(=O)CCNS(C)(=O)=O ZINC000520526206 373569069 /nfs/dbraw/zinc/56/90/69/373569069.db2.gz UDNHUHNGLGIWSW-SNVBAGLBSA-N 1 2 293.389 -1.237 20 0 CAADLO O=C(N[C@@H](CO)C[NH+]1CCOCC1)[C@H]1CCCNC1=O ZINC000632855325 373596077 /nfs/dbraw/zinc/59/60/77/373596077.db2.gz QSBZNDZHKMSXQK-MNOVXSKESA-N 1 2 285.344 -1.678 20 0 CAADLO O=C(C[NH+]1CCN(c2nc[nH]n2)CC1)N1CCOCC1 ZINC000639727691 373596086 /nfs/dbraw/zinc/59/60/86/373596086.db2.gz RXNDWPJHLXABHO-UHFFFAOYSA-N 1 2 280.332 -1.215 20 0 CAADLO Nc1ncccc1C[N@@H+]1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC000329669205 373571565 /nfs/dbraw/zinc/57/15/65/373571565.db2.gz MFXMXNBRGUPQPR-SNVBAGLBSA-N 1 2 275.312 -1.194 20 0 CAADLO Nc1ncccc1C[N@H+]1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC000329669205 373571573 /nfs/dbraw/zinc/57/15/73/373571573.db2.gz MFXMXNBRGUPQPR-SNVBAGLBSA-N 1 2 275.312 -1.194 20 0 CAADLO CCOCCOCC(=O)N[C@H](CO)C[NH+]1CCOCC1 ZINC000351504373 373572292 /nfs/dbraw/zinc/57/22/92/373572292.db2.gz JFUCMQVJOGZXDL-LBPRGKRZSA-N 1 2 290.360 -1.151 20 0 CAADLO CC[C@H](C(=O)N[C@H](CO)C[NH+]1CCOCC1)C(=O)OC ZINC000351505458 373572724 /nfs/dbraw/zinc/57/27/24/373572724.db2.gz NSYFIWGXXXXURD-WDEREUQCSA-N 1 2 288.344 -1.005 20 0 CAADLO COC(=O)[C@H](NC(=O)C[N@@H+]1C[C@@H](O)C[C@H]1CO)C(C)C ZINC000351577749 373576474 /nfs/dbraw/zinc/57/64/74/373576474.db2.gz FVSCCDYGAAZDKQ-JBLDHEPKSA-N 1 2 288.344 -1.272 20 0 CAADLO COC(=O)[C@H](NC(=O)C[N@H+]1C[C@@H](O)C[C@H]1CO)C(C)C ZINC000351577749 373576480 /nfs/dbraw/zinc/57/64/80/373576480.db2.gz FVSCCDYGAAZDKQ-JBLDHEPKSA-N 1 2 288.344 -1.272 20 0 CAADLO OCC1(C[NH+]2CCN(Cc3nnc[nH]3)CC2)COC1 ZINC000639721292 373596315 /nfs/dbraw/zinc/59/63/15/373596315.db2.gz OQWSMBOEMKQMNM-UHFFFAOYSA-N 1 2 267.333 -1.069 20 0 CAADLO O=C(CN1CCOCC1=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623259676 373578954 /nfs/dbraw/zinc/57/89/54/373578954.db2.gz HUQLUVTZTTXFTE-SECBINFHSA-N 1 2 264.285 -1.217 20 0 CAADLO COC(=O)CNC(=O)C[N@@H+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(N)=O ZINC000368975382 373622751 /nfs/dbraw/zinc/62/27/51/373622751.db2.gz QYJYIVXMDSUNTI-HOTUBEGUSA-N 1 2 283.328 -1.139 20 0 CAADLO COC(=O)CNC(=O)C[N@H+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(N)=O ZINC000368975382 373622754 /nfs/dbraw/zinc/62/27/54/373622754.db2.gz QYJYIVXMDSUNTI-HOTUBEGUSA-N 1 2 283.328 -1.139 20 0 CAADLO COC(=O)CNC(=O)C[N@@H+]1C[C@@H]2CCC[C@H]2[C@@H]1C(N)=O ZINC000368975390 373622999 /nfs/dbraw/zinc/62/29/99/373622999.db2.gz QYJYIVXMDSUNTI-YGOYTEALSA-N 1 2 283.328 -1.139 20 0 CAADLO COC(=O)CNC(=O)C[N@H+]1C[C@@H]2CCC[C@H]2[C@@H]1C(N)=O ZINC000368975390 373623006 /nfs/dbraw/zinc/62/30/06/373623006.db2.gz QYJYIVXMDSUNTI-YGOYTEALSA-N 1 2 283.328 -1.139 20 0 CAADLO CNC(=O)NC(=O)[C@H](C)[N@@H+]1CCN2C(=O)OC[C@H]2C1 ZINC000370558388 373625349 /nfs/dbraw/zinc/62/53/49/373625349.db2.gz PEQCYWZONFEEAM-JGVFFNPUSA-N 1 2 270.289 -1.033 20 0 CAADLO CNC(=O)NC(=O)[C@H](C)[N@H+]1CCN2C(=O)OC[C@H]2C1 ZINC000370558388 373625356 /nfs/dbraw/zinc/62/53/56/373625356.db2.gz PEQCYWZONFEEAM-JGVFFNPUSA-N 1 2 270.289 -1.033 20 0 CAADLO CCOC(=O)[C@@H](N)C(=O)NCC[NH+]1CCOCC1 ZINC000223891136 373630931 /nfs/dbraw/zinc/63/09/31/373630931.db2.gz OLHZAHZIOPFUCL-VIFPVBQESA-N 1 2 259.306 -1.675 20 0 CAADLO CCOC(=O)[C@@H](N)C(=O)N1CC[NH+](CCO)CC1 ZINC000223908866 373631183 /nfs/dbraw/zinc/63/11/83/373631183.db2.gz UHOHETJRWSHJKC-VIFPVBQESA-N 1 2 259.306 -1.987 20 0 CAADLO CCN1C(=O)[C@@H]2C[N@@H+]([C@H](C)C(=O)NC(N)=O)CCN2C1=O ZINC000610616143 373644870 /nfs/dbraw/zinc/64/48/70/373644870.db2.gz QWLKVIHJAHYBBA-SFYZADRCSA-N 1 2 297.315 -1.462 20 0 CAADLO CCN1C(=O)[C@@H]2C[N@H+]([C@H](C)C(=O)NC(N)=O)CCN2C1=O ZINC000610616143 373644872 /nfs/dbraw/zinc/64/48/72/373644872.db2.gz QWLKVIHJAHYBBA-SFYZADRCSA-N 1 2 297.315 -1.462 20 0 CAADLO C[C@@H](C(=O)NC(N)=O)[N@H+](C)CCN1CCCS1(=O)=O ZINC000610614883 373645016 /nfs/dbraw/zinc/64/50/16/373645016.db2.gz JBUWKTLWGNACOE-QMMMGPOBSA-N 1 2 292.361 -1.463 20 0 CAADLO C[C@@H](C(=O)NC(N)=O)[N@@H+](C)CCN1CCCS1(=O)=O ZINC000610614883 373645019 /nfs/dbraw/zinc/64/50/19/373645019.db2.gz JBUWKTLWGNACOE-QMMMGPOBSA-N 1 2 292.361 -1.463 20 0 CAADLO CCCNC(=O)NC(=O)C[N@H+]1C[C@H](O)C[C@H](O)C1 ZINC000610604356 373645252 /nfs/dbraw/zinc/64/52/52/373645252.db2.gz NGLKLZIXNNDUCR-DTORHVGOSA-N 1 2 259.306 -1.350 20 0 CAADLO CCCNC(=O)NC(=O)C[N@@H+]1C[C@H](O)C[C@H](O)C1 ZINC000610604356 373645259 /nfs/dbraw/zinc/64/52/59/373645259.db2.gz NGLKLZIXNNDUCR-DTORHVGOSA-N 1 2 259.306 -1.350 20 0 CAADLO COC[C@@H](C)NC(=O)NC(=O)C[N@H+]1C[C@H](O)C[C@H](O)C1 ZINC000610604198 373646514 /nfs/dbraw/zinc/64/65/14/373646514.db2.gz GTLJSBCFHATGRR-BBBLOLIVSA-N 1 2 289.332 -1.725 20 0 CAADLO COC[C@@H](C)NC(=O)NC(=O)C[N@@H+]1C[C@H](O)C[C@H](O)C1 ZINC000610604198 373646525 /nfs/dbraw/zinc/64/65/25/373646525.db2.gz GTLJSBCFHATGRR-BBBLOLIVSA-N 1 2 289.332 -1.725 20 0 CAADLO CNC(=O)NC(=O)C[N@H+](C)CC(=O)N1CCCC1 ZINC000016433053 373649834 /nfs/dbraw/zinc/64/98/34/373649834.db2.gz DNFKSVQTQTWTCH-UHFFFAOYSA-N 1 2 256.306 -1.004 20 0 CAADLO CNC(=O)NC(=O)C[N@@H+](C)CC(=O)N1CCCC1 ZINC000016433053 373649840 /nfs/dbraw/zinc/64/98/40/373649840.db2.gz DNFKSVQTQTWTCH-UHFFFAOYSA-N 1 2 256.306 -1.004 20 0 CAADLO CNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@H]2CCS(=O)(=O)[C@@H]2C1 ZINC000353117294 373600811 /nfs/dbraw/zinc/60/08/11/373600811.db2.gz IJZZECTZZUOFJT-DJLDLDEBSA-N 1 2 289.357 -1.051 20 0 CAADLO CNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@H]2CCS(=O)(=O)[C@@H]2C1 ZINC000353117294 373600815 /nfs/dbraw/zinc/60/08/15/373600815.db2.gz IJZZECTZZUOFJT-DJLDLDEBSA-N 1 2 289.357 -1.051 20 0 CAADLO CC(=O)NCCNS(=O)(=O)CCC[NH+]1CCOCC1 ZINC000354079111 373606345 /nfs/dbraw/zinc/60/63/45/373606345.db2.gz CFGRXXCANUSNHT-UHFFFAOYSA-N 1 2 293.389 -1.236 20 0 CAADLO CC(C)NC(=O)C[N@H+](C)CC(=O)N[C@H](C)CC(N)=O ZINC000354087380 373607210 /nfs/dbraw/zinc/60/72/10/373607210.db2.gz ZUGJPDBUGSDAIZ-SECBINFHSA-N 1 2 272.349 -1.177 20 0 CAADLO CC(C)NC(=O)C[N@@H+](C)CC(=O)N[C@H](C)CC(N)=O ZINC000354087380 373607217 /nfs/dbraw/zinc/60/72/17/373607217.db2.gz ZUGJPDBUGSDAIZ-SECBINFHSA-N 1 2 272.349 -1.177 20 0 CAADLO COC(=O)[C@@H]1CC[C@H](C(=O)NC[C@@H]2C[NH+]3CCN2CC3)O1 ZINC000355145801 373608456 /nfs/dbraw/zinc/60/84/56/373608456.db2.gz RUGUEDXNCMHVBQ-UTUOFQBUSA-N 1 2 297.355 -1.177 20 0 CAADLO COC(=O)CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)NC2CC2)C1 ZINC000355112603 373609121 /nfs/dbraw/zinc/60/91/21/373609121.db2.gz YUDIDFHCFLYBBP-SNVBAGLBSA-N 1 2 298.343 -1.189 20 0 CAADLO COC(=O)CNC(=O)C[N@H+]1CC[C@@H](NC(=O)NC2CC2)C1 ZINC000355112603 373609133 /nfs/dbraw/zinc/60/91/33/373609133.db2.gz YUDIDFHCFLYBBP-SNVBAGLBSA-N 1 2 298.343 -1.189 20 0 CAADLO COC(=O)[C@@H]1CC[C@@H](C(=O)NC[C@H]2C[NH+]3CCN2CC3)O1 ZINC000355145799 373609928 /nfs/dbraw/zinc/60/99/28/373609928.db2.gz RUGUEDXNCMHVBQ-SRVKXCTJSA-N 1 2 297.355 -1.177 20 0 CAADLO C[C@@H]1CCN(C(=O)CN2CC[NH2+]CC2=O)[C@H](C(N)=O)C1 ZINC000584839705 373656580 /nfs/dbraw/zinc/65/65/80/373656580.db2.gz FYEQMKZGFXEHAF-ZJUUUORDSA-N 1 2 282.344 -1.469 20 0 CAADLO CC[N@H+](CCNS(=O)(=O)CCCOC)CC(N)=O ZINC000355555568 373612118 /nfs/dbraw/zinc/61/21/18/373612118.db2.gz HJRWXERAPBJGAW-UHFFFAOYSA-N 1 2 281.378 -1.251 20 0 CAADLO CC[N@@H+](CCNS(=O)(=O)CCCOC)CC(N)=O ZINC000355555568 373612124 /nfs/dbraw/zinc/61/21/24/373612124.db2.gz HJRWXERAPBJGAW-UHFFFAOYSA-N 1 2 281.378 -1.251 20 0 CAADLO COCCCS(=O)(=O)NCC[N@H+](C)CC(N)=O ZINC000355550308 373612253 /nfs/dbraw/zinc/61/22/53/373612253.db2.gz GMBSFLBCLPPYAM-UHFFFAOYSA-N 1 2 267.351 -1.641 20 0 CAADLO COCCCS(=O)(=O)NCC[N@@H+](C)CC(N)=O ZINC000355550308 373612258 /nfs/dbraw/zinc/61/22/58/373612258.db2.gz GMBSFLBCLPPYAM-UHFFFAOYSA-N 1 2 267.351 -1.641 20 0 CAADLO CO[C@@H]1CN(C[C@H](O)C[NH+]2CCOCC2)CCO1 ZINC000639833917 373613354 /nfs/dbraw/zinc/61/33/54/373613354.db2.gz KDJYNLCTGIYVBB-NEPJUHHUSA-N 1 2 260.334 -1.016 20 0 CAADLO CO[C@@H]1C[N@H+](C[C@H](O)CN2CCOCC2)CCO1 ZINC000639833917 373613361 /nfs/dbraw/zinc/61/33/61/373613361.db2.gz KDJYNLCTGIYVBB-NEPJUHHUSA-N 1 2 260.334 -1.016 20 0 CAADLO CO[C@@H]1C[N@@H+](C[C@H](O)CN2CCOCC2)CCO1 ZINC000639833917 373613372 /nfs/dbraw/zinc/61/33/72/373613372.db2.gz KDJYNLCTGIYVBB-NEPJUHHUSA-N 1 2 260.334 -1.016 20 0 CAADLO CNS(=O)(=O)CC[N@@H+]1CCO[C@@H](Cn2ccnn2)C1 ZINC000639855243 373614574 /nfs/dbraw/zinc/61/45/74/373614574.db2.gz MGAIAOASTNCXIO-SNVBAGLBSA-N 1 2 289.361 -1.472 20 0 CAADLO CNS(=O)(=O)CC[N@H+]1CCO[C@@H](Cn2ccnn2)C1 ZINC000639855243 373614578 /nfs/dbraw/zinc/61/45/78/373614578.db2.gz MGAIAOASTNCXIO-SNVBAGLBSA-N 1 2 289.361 -1.472 20 0 CAADLO CCNC(=O)NC(=O)C[N@@H+]1CCC[C@@H]1CS(N)(=O)=O ZINC000357916851 373615154 /nfs/dbraw/zinc/61/51/54/373615154.db2.gz RATUHAVHKSLZPU-MRVPVSSYSA-N 1 2 292.361 -1.415 20 0 CAADLO CCNC(=O)NC(=O)C[N@H+]1CCC[C@@H]1CS(N)(=O)=O ZINC000357916851 373615161 /nfs/dbraw/zinc/61/51/61/373615161.db2.gz RATUHAVHKSLZPU-MRVPVSSYSA-N 1 2 292.361 -1.415 20 0 CAADLO CCNC(=O)NC(=O)C[N@@H+]1CCC[C@H]1CS(N)(=O)=O ZINC000357916852 373615726 /nfs/dbraw/zinc/61/57/26/373615726.db2.gz RATUHAVHKSLZPU-QMMMGPOBSA-N 1 2 292.361 -1.415 20 0 CAADLO CCNC(=O)NC(=O)C[N@H+]1CCC[C@H]1CS(N)(=O)=O ZINC000357916852 373615733 /nfs/dbraw/zinc/61/57/33/373615733.db2.gz RATUHAVHKSLZPU-QMMMGPOBSA-N 1 2 292.361 -1.415 20 0 CAADLO CNS(=O)(=O)CC[N@@H+]1CCO[C@H](Cn2ccnn2)C1 ZINC000639855237 373615837 /nfs/dbraw/zinc/61/58/37/373615837.db2.gz MGAIAOASTNCXIO-JTQLQIEISA-N 1 2 289.361 -1.472 20 0 CAADLO CNS(=O)(=O)CC[N@H+]1CCO[C@H](Cn2ccnn2)C1 ZINC000639855237 373615847 /nfs/dbraw/zinc/61/58/47/373615847.db2.gz MGAIAOASTNCXIO-JTQLQIEISA-N 1 2 289.361 -1.472 20 0 CAADLO CNC(=O)C[N@@H+]1CCCN(S(=O)(=O)CCOC)CC1 ZINC000363107964 373619934 /nfs/dbraw/zinc/61/99/34/373619934.db2.gz OOJRCLGRGXSPKT-UHFFFAOYSA-N 1 2 293.389 -1.284 20 0 CAADLO CNC(=O)C[N@H+]1CCCN(S(=O)(=O)CCOC)CC1 ZINC000363107964 373619944 /nfs/dbraw/zinc/61/99/44/373619944.db2.gz OOJRCLGRGXSPKT-UHFFFAOYSA-N 1 2 293.389 -1.284 20 0 CAADLO C[C@H](CNC(=O)N1C[C@H](O)C[C@H]1CO)[NH+]1CCOCC1 ZINC000361349589 373620122 /nfs/dbraw/zinc/62/01/22/373620122.db2.gz WSRCAYMJADHPTB-GRYCIOLGSA-N 1 2 287.360 -1.156 20 0 CAADLO C[C@H](CNC(=O)N1C[C@H](O)C[C@@H]1CO)[NH+]1CCOCC1 ZINC000361349590 373620502 /nfs/dbraw/zinc/62/05/02/373620502.db2.gz WSRCAYMJADHPTB-IJLUTSLNSA-N 1 2 287.360 -1.156 20 0 CAADLO Cn1cc(CCC(=O)NC[C@H]2C[NH+]3CCN2CC3)nn1 ZINC000612747015 373709691 /nfs/dbraw/zinc/70/96/91/373709691.db2.gz IIVPEZQYGWQHMD-LBPRGKRZSA-N 1 2 278.360 -1.136 20 0 CAADLO COC[C@H](OC)C(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000612748565 373709963 /nfs/dbraw/zinc/70/99/63/373709963.db2.gz YLGGUWDINUTDEF-MNOVXSKESA-N 1 2 257.334 -1.236 20 0 CAADLO COC[C@H](OC)C(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000612748566 373710174 /nfs/dbraw/zinc/71/01/74/373710174.db2.gz YLGGUWDINUTDEF-QWRGUYRKSA-N 1 2 257.334 -1.236 20 0 CAADLO O=C(N[C@H]1CCc2[nH+]c[nH]c2C1)[C@@H]1CC(=O)NC(=O)N1 ZINC000612696008 373710195 /nfs/dbraw/zinc/71/01/95/373710195.db2.gz NHKMBOOFQMEKQU-RCOVLWMOSA-N 1 2 277.284 -1.019 20 0 CAADLO O=C(N[C@H]1CCc2[nH]c[nH+]c2C1)[C@@H]1CC(=O)NC(=O)N1 ZINC000612696008 373710198 /nfs/dbraw/zinc/71/01/98/373710198.db2.gz NHKMBOOFQMEKQU-RCOVLWMOSA-N 1 2 277.284 -1.019 20 0 CAADLO COC[C@@H](OC)C(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000612748564 373710228 /nfs/dbraw/zinc/71/02/28/373710228.db2.gz YLGGUWDINUTDEF-GHMZBOCLSA-N 1 2 257.334 -1.236 20 0 CAADLO O=C1NC[C@@H]2C[N@H+](Cc3ccc(CO)o3)CCN2C1=O ZINC000537691415 373720237 /nfs/dbraw/zinc/72/02/37/373720237.db2.gz WNLXSGYRJUDMBR-SECBINFHSA-N 1 2 279.296 -1.086 20 0 CAADLO O=C1NC[C@@H]2C[N@@H+](Cc3ccc(CO)o3)CCN2C1=O ZINC000537691415 373720240 /nfs/dbraw/zinc/72/02/40/373720240.db2.gz WNLXSGYRJUDMBR-SECBINFHSA-N 1 2 279.296 -1.086 20 0 CAADLO Cc1c[nH+]c(N2CCNC(=O)C2)nc1N1CCNC(=O)C1 ZINC000267096993 373712279 /nfs/dbraw/zinc/71/22/79/373712279.db2.gz JVJLWRDYLPNOOL-UHFFFAOYSA-N 1 2 290.327 -1.343 20 0 CAADLO COC[C@H](OC)C(=O)NCCC[N@@H+]1CCNC(=O)C1 ZINC000612881199 373713595 /nfs/dbraw/zinc/71/35/95/373713595.db2.gz ZJERMFWSSAUKRC-JTQLQIEISA-N 1 2 273.333 -1.414 20 0 CAADLO COC[C@H](OC)C(=O)NCCC[N@H+]1CCNC(=O)C1 ZINC000612881199 373713601 /nfs/dbraw/zinc/71/36/01/373713601.db2.gz ZJERMFWSSAUKRC-JTQLQIEISA-N 1 2 273.333 -1.414 20 0 CAADLO C[C@@H]1C[N@H+](CCNC(=O)CCNC(N)=O)CCO1 ZINC000537171313 373713776 /nfs/dbraw/zinc/71/37/76/373713776.db2.gz ZSGPFNZIXAZXTE-SECBINFHSA-N 1 2 258.322 -1.118 20 0 CAADLO C[C@@H]1C[N@@H+](CCNC(=O)CCNC(N)=O)CCO1 ZINC000537171313 373713785 /nfs/dbraw/zinc/71/37/85/373713785.db2.gz ZSGPFNZIXAZXTE-SECBINFHSA-N 1 2 258.322 -1.118 20 0 CAADLO Cn1c[nH+]cc1CN1CCN(S(N)(=O)=O)CC1 ZINC000267105737 373713848 /nfs/dbraw/zinc/71/38/48/373713848.db2.gz ZIVDZNSFOYWZBB-UHFFFAOYSA-N 1 2 259.335 -1.259 20 0 CAADLO COC[C@@H](OC)C(=O)NCCC[N@@H+]1CCNC(=O)C1 ZINC000612881200 373714289 /nfs/dbraw/zinc/71/42/89/373714289.db2.gz ZJERMFWSSAUKRC-SNVBAGLBSA-N 1 2 273.333 -1.414 20 0 CAADLO COC[C@@H](OC)C(=O)NCCC[N@H+]1CCNC(=O)C1 ZINC000612881200 373714298 /nfs/dbraw/zinc/71/42/98/373714298.db2.gz ZJERMFWSSAUKRC-SNVBAGLBSA-N 1 2 273.333 -1.414 20 0 CAADLO O=C(NCCC[N@@H+]1CCNC(=O)C1)c1ncc[nH]1 ZINC000612880815 373714638 /nfs/dbraw/zinc/71/46/38/373714638.db2.gz SCPIMVQLEDFYFS-UHFFFAOYSA-N 1 2 251.290 -1.039 20 0 CAADLO O=C(NCCC[N@H+]1CCNC(=O)C1)c1ncc[nH]1 ZINC000612880815 373714645 /nfs/dbraw/zinc/71/46/45/373714645.db2.gz SCPIMVQLEDFYFS-UHFFFAOYSA-N 1 2 251.290 -1.039 20 0 CAADLO O=C(NCCC[N@@H+]1CCNC(=O)C1)[C@H]1[C@@H]2COC[C@@H]21 ZINC000612879716 373714800 /nfs/dbraw/zinc/71/48/00/373714800.db2.gz CKQGSETZZSWEAF-IAZYJMLFSA-N 1 2 267.329 -1.183 20 0 CAADLO O=C(NCCC[N@H+]1CCNC(=O)C1)[C@H]1[C@@H]2COC[C@@H]21 ZINC000612879716 373714808 /nfs/dbraw/zinc/71/48/08/373714808.db2.gz CKQGSETZZSWEAF-IAZYJMLFSA-N 1 2 267.329 -1.183 20 0 CAADLO C[C@@H]1OCC[C@H]1C(=O)NCC(=O)NCC[NH+]1CCOCC1 ZINC000537737230 373720638 /nfs/dbraw/zinc/72/06/38/373720638.db2.gz VKXLDIQCYNLXJW-NWDGAFQWSA-N 1 2 299.371 -1.024 20 0 CAADLO CNC(=O)NC(=O)C[N@@H+]1CCC[C@H](NS(C)(=O)=O)C1 ZINC000041621628 373659363 /nfs/dbraw/zinc/65/93/63/373659363.db2.gz GTVTWZHUNXIEDH-QMMMGPOBSA-N 1 2 292.361 -1.544 20 0 CAADLO CNC(=O)NC(=O)C[N@H+]1CCC[C@H](NS(C)(=O)=O)C1 ZINC000041621628 373659368 /nfs/dbraw/zinc/65/93/68/373659368.db2.gz GTVTWZHUNXIEDH-QMMMGPOBSA-N 1 2 292.361 -1.544 20 0 CAADLO C[C@@H]1C[N@H+](CCNC(=O)CN2CN=NC2=O)CCO1 ZINC000548046016 373668126 /nfs/dbraw/zinc/66/81/26/373668126.db2.gz MUNSENNKTZOQSL-SECBINFHSA-N 1 2 269.305 -1.179 20 0 CAADLO C[C@@H]1C[N@@H+](CCNC(=O)CN2CN=NC2=O)CCO1 ZINC000548046016 373668135 /nfs/dbraw/zinc/66/81/35/373668135.db2.gz MUNSENNKTZOQSL-SECBINFHSA-N 1 2 269.305 -1.179 20 0 CAADLO CN(CC(N)=O)CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000051826482 373668462 /nfs/dbraw/zinc/66/84/62/373668462.db2.gz QXEJYKHYCUWLED-UHFFFAOYSA-N 1 2 286.376 -1.370 20 0 CAADLO C[C@H]1C[N@H+](CCNC(=O)CN2CN=NC2=O)CCO1 ZINC000548046017 373670450 /nfs/dbraw/zinc/67/04/50/373670450.db2.gz MUNSENNKTZOQSL-VIFPVBQESA-N 1 2 269.305 -1.179 20 0 CAADLO C[C@H]1C[N@@H+](CCNC(=O)CN2CN=NC2=O)CCO1 ZINC000548046017 373670460 /nfs/dbraw/zinc/67/04/60/373670460.db2.gz MUNSENNKTZOQSL-VIFPVBQESA-N 1 2 269.305 -1.179 20 0 CAADLO CCCNC(=O)CN(C)C(=O)C[N@@H+]1CCC[C@@H]1C(N)=O ZINC000066864189 373673851 /nfs/dbraw/zinc/67/38/51/373673851.db2.gz SUSVXRNIPJGTHM-SNVBAGLBSA-N 1 2 284.360 -1.079 20 0 CAADLO CCCNC(=O)CN(C)C(=O)C[N@H+]1CCC[C@@H]1C(N)=O ZINC000066864189 373673861 /nfs/dbraw/zinc/67/38/61/373673861.db2.gz SUSVXRNIPJGTHM-SNVBAGLBSA-N 1 2 284.360 -1.079 20 0 CAADLO O=C(NC[C@@H]1CCCC[N@H+]1CCO)C1CS(=O)(=O)C1 ZINC000633255810 373675469 /nfs/dbraw/zinc/67/54/69/373675469.db2.gz DEYNIROAYWRUHS-NSHDSACASA-N 1 2 290.385 -1.006 20 0 CAADLO O=C(NC[C@@H]1CCCC[N@@H+]1CCO)C1CS(=O)(=O)C1 ZINC000633255810 373675474 /nfs/dbraw/zinc/67/54/74/373675474.db2.gz DEYNIROAYWRUHS-NSHDSACASA-N 1 2 290.385 -1.006 20 0 CAADLO Cn1c[nH+]cc1CC(=O)N1CC(=O)N(C)C(=O)C1 ZINC000572056830 373677524 /nfs/dbraw/zinc/67/75/24/373677524.db2.gz BJMXNWYUOSCVIJ-UHFFFAOYSA-N 1 2 250.258 -1.210 20 0 CAADLO O=C(C[N@H+]1CC[C@@H](CO)[C@@H](O)C1)N1CCNC(=O)C1 ZINC000571857594 373677748 /nfs/dbraw/zinc/67/77/48/373677748.db2.gz LLYINTOVXIPARM-UWVGGRQHSA-N 1 2 271.317 -2.380 20 0 CAADLO O=C(C[N@@H+]1CC[C@@H](CO)[C@@H](O)C1)N1CCNC(=O)C1 ZINC000571857594 373677754 /nfs/dbraw/zinc/67/77/54/373677754.db2.gz LLYINTOVXIPARM-UWVGGRQHSA-N 1 2 271.317 -2.380 20 0 CAADLO O=C(C[N@H+]1CC[C@@H](CO)[C@H](O)C1)N1CCNC(=O)C1 ZINC000571857595 373677851 /nfs/dbraw/zinc/67/78/51/373677851.db2.gz LLYINTOVXIPARM-VHSXEESVSA-N 1 2 271.317 -2.380 20 0 CAADLO O=C(C[N@@H+]1CC[C@@H](CO)[C@H](O)C1)N1CCNC(=O)C1 ZINC000571857595 373677854 /nfs/dbraw/zinc/67/78/54/373677854.db2.gz LLYINTOVXIPARM-VHSXEESVSA-N 1 2 271.317 -2.380 20 0 CAADLO C[C@@H]1C[N@H+](CCO)CCN1S(=O)(=O)N1CCOCC1 ZINC000572303356 373680321 /nfs/dbraw/zinc/68/03/21/373680321.db2.gz FJWIOWZRJKRXOF-LLVKDONJSA-N 1 2 293.389 -1.438 20 0 CAADLO C[C@@H]1C[N@@H+](CCO)CCN1S(=O)(=O)N1CCOCC1 ZINC000572303356 373680326 /nfs/dbraw/zinc/68/03/26/373680326.db2.gz FJWIOWZRJKRXOF-LLVKDONJSA-N 1 2 293.389 -1.438 20 0 CAADLO C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)N1CCN(C)C(=O)C1 ZINC000572300175 373680601 /nfs/dbraw/zinc/68/06/01/373680601.db2.gz INIAJTARSYCIGY-SNVBAGLBSA-N 1 2 293.327 -1.312 20 0 CAADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)N1CCN(C)C(=O)C1 ZINC000572300174 373680783 /nfs/dbraw/zinc/68/07/83/373680783.db2.gz INIAJTARSYCIGY-JTQLQIEISA-N 1 2 293.327 -1.312 20 0 CAADLO C[C@H]1C[N@H+](CCO)CCN1S(=O)(=O)N1CCOCC1 ZINC000572303357 373681056 /nfs/dbraw/zinc/68/10/56/373681056.db2.gz FJWIOWZRJKRXOF-NSHDSACASA-N 1 2 293.389 -1.438 20 0 CAADLO C[C@H]1C[N@@H+](CCO)CCN1S(=O)(=O)N1CCOCC1 ZINC000572303357 373681065 /nfs/dbraw/zinc/68/10/65/373681065.db2.gz FJWIOWZRJKRXOF-NSHDSACASA-N 1 2 293.389 -1.438 20 0 CAADLO C[C@@H]1CO[C@@H](CO)CN1C[C@@H](O)C[NH+]1CCOCC1 ZINC000336804886 373681362 /nfs/dbraw/zinc/68/13/62/373681362.db2.gz NFJWCODUWNOSMX-FRRDWIJNSA-N 1 2 274.361 -1.239 20 0 CAADLO CN1C[C@@H](C(=O)N2CC[NH+](C(C)(C)C(N)=O)CC2)NC1=O ZINC000611636894 373682994 /nfs/dbraw/zinc/68/29/94/373682994.db2.gz GILQBWJBJIFFEI-VIFPVBQESA-N 1 2 297.359 -1.582 20 0 CAADLO COC[C@H](OC)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000612061642 373695225 /nfs/dbraw/zinc/69/52/25/373695225.db2.gz HQANXFJXOVNMBN-RYUDHWBXSA-N 1 2 290.360 -1.201 20 0 CAADLO CC(C)(C)OC(=O)CNC(=O)C[N@H+]1C[C@H](O)C[C@H](O)C1 ZINC000612085522 373695462 /nfs/dbraw/zinc/69/54/62/373695462.db2.gz RKIHAJAGQOPNHX-AOOOYVTPSA-N 1 2 288.344 -1.128 20 0 CAADLO CC(C)(C)OC(=O)CNC(=O)C[N@@H+]1C[C@H](O)C[C@H](O)C1 ZINC000612085522 373695467 /nfs/dbraw/zinc/69/54/67/373695467.db2.gz RKIHAJAGQOPNHX-AOOOYVTPSA-N 1 2 288.344 -1.128 20 0 CAADLO CN1C[C@H](C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)NC1=O ZINC000612308757 373701349 /nfs/dbraw/zinc/70/13/49/373701349.db2.gz OHWLRFKRHKRZJE-WDEREUQCSA-N 1 2 282.344 -1.057 20 0 CAADLO O=C([C@H]1CC(=O)N1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000612307369 373701472 /nfs/dbraw/zinc/70/14/72/373701472.db2.gz GXPHSLPPSZYJLS-VHSXEESVSA-N 1 2 253.302 -1.192 20 0 CAADLO O=C(N[C@@H](CO)C[NH+]1CCOCC1)[C@@H]1CCCCC(=O)N1 ZINC000424527314 373702583 /nfs/dbraw/zinc/70/25/83/373702583.db2.gz DXHWMQDMLQTJTL-NEPJUHHUSA-N 1 2 299.371 -1.146 20 0 CAADLO COC[C@H](OC)C(=O)N(CCO)CC[NH+]1CCOCC1 ZINC000612673678 373707401 /nfs/dbraw/zinc/70/74/01/373707401.db2.gz RABDSWZYTSDLEF-LBPRGKRZSA-N 1 2 290.360 -1.199 20 0 CAADLO C[C@H](NC(=O)c1nc2n(n1)CCCN2)[C@@H]1C[N@H+](C)CCO1 ZINC000612670545 373707469 /nfs/dbraw/zinc/70/74/69/373707469.db2.gz MKMPQYXOORICLT-UWVGGRQHSA-N 1 2 294.359 -1.200 20 0 CAADLO C[C@H](NC(=O)c1nc2n(n1)CCCN2)[C@@H]1C[N@@H+](C)CCO1 ZINC000612670545 373707479 /nfs/dbraw/zinc/70/74/79/373707479.db2.gz MKMPQYXOORICLT-UWVGGRQHSA-N 1 2 294.359 -1.200 20 0 CAADLO C[C@@H](NC(=O)c1nc2n(n1)CCCN2)[C@H]1C[N@H+](C)CCO1 ZINC000612670544 373708005 /nfs/dbraw/zinc/70/80/05/373708005.db2.gz MKMPQYXOORICLT-NXEZZACHSA-N 1 2 294.359 -1.200 20 0 CAADLO C[C@@H](NC(=O)c1nc2n(n1)CCCN2)[C@H]1C[N@@H+](C)CCO1 ZINC000612670544 373708009 /nfs/dbraw/zinc/70/80/09/373708009.db2.gz MKMPQYXOORICLT-NXEZZACHSA-N 1 2 294.359 -1.200 20 0 CAADLO CC(=O)NC1C[NH+](C[C@@H](O)CN2CCOCC2)C1 ZINC000191728164 373770156 /nfs/dbraw/zinc/77/01/56/373770156.db2.gz YZJBFDKNHRSCAO-LBPRGKRZSA-N 1 2 257.334 -1.500 20 0 CAADLO COC(=O)[C@@H]1[C@H](O)CCC[N@@H+]1CCCS(N)(=O)=O ZINC000444728690 373771043 /nfs/dbraw/zinc/77/10/43/373771043.db2.gz FLZRWHYLIXOUIO-BDAKNGLRSA-N 1 2 280.346 -1.337 20 0 CAADLO COC(=O)[C@@H]1[C@H](O)CCC[N@H+]1CCCS(N)(=O)=O ZINC000444728690 373771050 /nfs/dbraw/zinc/77/10/50/373771050.db2.gz FLZRWHYLIXOUIO-BDAKNGLRSA-N 1 2 280.346 -1.337 20 0 CAADLO CN(CC[NH+]1CCOCC1)C(=O)CSCC(N)=O ZINC000066149062 373771389 /nfs/dbraw/zinc/77/13/89/373771389.db2.gz KMWGCEXVORXQBS-UHFFFAOYSA-N 1 2 275.374 -1.005 20 0 CAADLO C[C@H](NC(=O)C[N@@H+]1C[C@@H]2C[C@]2(O)C1)C(=O)N(C)C ZINC000640479754 373773337 /nfs/dbraw/zinc/77/33/37/373773337.db2.gz ZRAAOZMMBAKKHA-AUTRQRHGSA-N 1 2 255.318 -1.354 20 0 CAADLO C[C@H](NC(=O)C[N@H+]1C[C@@H]2C[C@]2(O)C1)C(=O)N(C)C ZINC000640479754 373773341 /nfs/dbraw/zinc/77/33/41/373773341.db2.gz ZRAAOZMMBAKKHA-AUTRQRHGSA-N 1 2 255.318 -1.354 20 0 CAADLO C[C@H]1OCC[C@H]1C(=O)NCC(=O)NCC[NH+]1CCOCC1 ZINC000537737232 373720820 /nfs/dbraw/zinc/72/08/20/373720820.db2.gz VKXLDIQCYNLXJW-VXGBXAGGSA-N 1 2 299.371 -1.024 20 0 CAADLO CN1CCC[C@H]([N@@H+]2CCN3C(=O)C(=O)NC[C@@H]3C2)C1=O ZINC000537606737 373721162 /nfs/dbraw/zinc/72/11/62/373721162.db2.gz PQYZCDYZMPOZJW-ZJUUUORDSA-N 1 2 280.328 -1.750 20 0 CAADLO CN1CCC[C@H]([N@H+]2CCN3C(=O)C(=O)NC[C@@H]3C2)C1=O ZINC000537606737 373721174 /nfs/dbraw/zinc/72/11/74/373721174.db2.gz PQYZCDYZMPOZJW-ZJUUUORDSA-N 1 2 280.328 -1.750 20 0 CAADLO O=C(N[C@@H](CO)C[NH+]1CCOCC1)c1cc(=O)[nH]cn1 ZINC000626873559 373724289 /nfs/dbraw/zinc/72/42/89/373724289.db2.gz DKWGFNSZEAXJNU-SECBINFHSA-N 1 2 282.300 -1.395 20 0 CAADLO CNC(=O)NCCNS(=O)(=O)C[C@@H]1C[N@H+](C)CCO1 ZINC000632468860 373731064 /nfs/dbraw/zinc/73/10/64/373731064.db2.gz ICRLNEBMRCFTNP-VIFPVBQESA-N 1 2 294.377 -1.835 20 0 CAADLO CNC(=O)NCCNS(=O)(=O)C[C@@H]1C[N@@H+](C)CCO1 ZINC000632468860 373731071 /nfs/dbraw/zinc/73/10/71/373731071.db2.gz ICRLNEBMRCFTNP-VIFPVBQESA-N 1 2 294.377 -1.835 20 0 CAADLO CNC(=O)CC(=O)NC[C@@]1(CO)COCC2(CCC2)[N@@H+]1C ZINC000628576283 373734148 /nfs/dbraw/zinc/73/41/48/373734148.db2.gz SDBDUPPZZZUNFJ-CQSZACIVSA-N 1 2 299.371 -1.146 20 0 CAADLO CNC(=O)CC(=O)NC[C@@]1(CO)COCC2(CCC2)[N@H+]1C ZINC000628576283 373734156 /nfs/dbraw/zinc/73/41/56/373734156.db2.gz SDBDUPPZZZUNFJ-CQSZACIVSA-N 1 2 299.371 -1.146 20 0 CAADLO CNC(=O)CC(=O)NC[C@]1(CO)COCC2(CCC2)[N@@H+]1C ZINC000628576274 373735484 /nfs/dbraw/zinc/73/54/84/373735484.db2.gz SDBDUPPZZZUNFJ-AWEZNQCLSA-N 1 2 299.371 -1.146 20 0 CAADLO CNC(=O)CC(=O)NC[C@]1(CO)COCC2(CCC2)[N@H+]1C ZINC000628576274 373735493 /nfs/dbraw/zinc/73/54/93/373735493.db2.gz SDBDUPPZZZUNFJ-AWEZNQCLSA-N 1 2 299.371 -1.146 20 0 CAADLO C[C@@H](C(=O)N1C[C@H](O)C[C@H]1C(N)=O)[NH+]1CCSCC1 ZINC000628601681 373737253 /nfs/dbraw/zinc/73/72/53/373737253.db2.gz OKBJJBPLDYPNRX-AEJSXWLSSA-N 1 2 287.385 -1.129 20 0 CAADLO O=C(CNC(=O)[C@@H]1CCCO1)NCC[NH+]1CCOCC1 ZINC000036105647 373738931 /nfs/dbraw/zinc/73/89/31/373738931.db2.gz DUWVXTGBVONDKV-NSHDSACASA-N 1 2 285.344 -1.270 20 0 CAADLO C[C@H](CS(C)(=O)=O)NC(=O)CN1CC[NH2+]CC1=O ZINC000430404106 373740603 /nfs/dbraw/zinc/74/06/03/373740603.db2.gz PSTUIARFUOUOLL-MRVPVSSYSA-N 1 2 277.346 -2.033 20 0 CAADLO CC(C)NC(=O)C[N@H+](C)CC(=O)N[C@H]1C[C@H](C(N)=O)C1 ZINC000628778484 373741407 /nfs/dbraw/zinc/74/14/07/373741407.db2.gz LXDTVESPQQRUTR-MGCOHNPYSA-N 1 2 284.360 -1.177 20 0 CAADLO CC(C)NC(=O)C[N@@H+](C)CC(=O)N[C@H]1C[C@H](C(N)=O)C1 ZINC000628778484 373741415 /nfs/dbraw/zinc/74/14/15/373741415.db2.gz LXDTVESPQQRUTR-MGCOHNPYSA-N 1 2 284.360 -1.177 20 0 CAADLO COC(=O)[C@H]1CNC(=O)CN1CCn1cc[nH+]c1 ZINC000447921969 373775188 /nfs/dbraw/zinc/77/51/88/373775188.db2.gz NFILXNZITLFCHJ-SECBINFHSA-N 1 2 252.274 -1.144 20 0 CAADLO COC(=O)[C@@H]1CNC(=O)CN1CC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000447924947 373775195 /nfs/dbraw/zinc/77/51/95/373775195.db2.gz XRVZMFXTTNXZKV-TUAOUCFPSA-N 1 2 297.355 -1.177 20 0 CAADLO COC(=O)[C@@H]1CNC(=O)CN1CC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000447924947 373775198 /nfs/dbraw/zinc/77/51/98/373775198.db2.gz XRVZMFXTTNXZKV-TUAOUCFPSA-N 1 2 297.355 -1.177 20 0 CAADLO Cn1c[nH+]cc1CC(=O)N1CC(NS(C)(=O)=O)C1 ZINC000628797677 373745100 /nfs/dbraw/zinc/74/51/00/373745100.db2.gz ILZWDEWEPXUYBL-UHFFFAOYSA-N 1 2 272.330 -1.277 20 0 CAADLO C[C@@H]1C(=O)N(C)CN1S(=O)(=O)C[C@@H]1C[N@H+](C)CCO1 ZINC000632504032 373747366 /nfs/dbraw/zinc/74/73/66/373747366.db2.gz ABNJKYMYRLXYIZ-ZJUUUORDSA-N 1 2 291.373 -1.233 20 0 CAADLO C[C@@H]1C(=O)N(C)CN1S(=O)(=O)C[C@@H]1C[N@@H+](C)CCO1 ZINC000632504032 373747371 /nfs/dbraw/zinc/74/73/71/373747371.db2.gz ABNJKYMYRLXYIZ-ZJUUUORDSA-N 1 2 291.373 -1.233 20 0 CAADLO Cn1cnn(CCC(=O)NC[C@@H]2COCC[N@@H+]2C)c1=O ZINC000628914692 373750414 /nfs/dbraw/zinc/75/04/14/373750414.db2.gz OVTPFLOEKJSERY-SNVBAGLBSA-N 1 2 283.332 -1.581 20 0 CAADLO Cn1cnn(CCC(=O)NC[C@@H]2COCC[N@H+]2C)c1=O ZINC000628914692 373750429 /nfs/dbraw/zinc/75/04/29/373750429.db2.gz OVTPFLOEKJSERY-SNVBAGLBSA-N 1 2 283.332 -1.581 20 0 CAADLO C[N@@H+]1CCOC[C@H]1CNC(=O)CN1CCCS1(=O)=O ZINC000628917138 373750526 /nfs/dbraw/zinc/75/05/26/373750526.db2.gz AISSCGBIIMMIRU-SNVBAGLBSA-N 1 2 291.373 -1.531 20 0 CAADLO C[N@H+]1CCOC[C@H]1CNC(=O)CN1CCCS1(=O)=O ZINC000628917138 373750535 /nfs/dbraw/zinc/75/05/35/373750535.db2.gz AISSCGBIIMMIRU-SNVBAGLBSA-N 1 2 291.373 -1.531 20 0 CAADLO C[N@@H+]1CCOC[C@H]1CNC(=O)CN1C(=O)NC(=O)C1(C)C ZINC000628916790 373751241 /nfs/dbraw/zinc/75/12/41/373751241.db2.gz KBRWKZCYXQFYEB-SECBINFHSA-N 1 2 298.343 -1.236 20 0 CAADLO C[N@H+]1CCOC[C@H]1CNC(=O)CN1C(=O)NC(=O)C1(C)C ZINC000628916790 373751247 /nfs/dbraw/zinc/75/12/47/373751247.db2.gz KBRWKZCYXQFYEB-SECBINFHSA-N 1 2 298.343 -1.236 20 0 CAADLO C[N@@H+]1CCOC[C@H]1CNC(=O)C(C)(C)NS(C)(=O)=O ZINC000628915595 373751267 /nfs/dbraw/zinc/75/12/67/373751267.db2.gz BWYUXRXXLCHLBN-SECBINFHSA-N 1 2 293.389 -1.239 20 0 CAADLO C[N@H+]1CCOC[C@H]1CNC(=O)C(C)(C)NS(C)(=O)=O ZINC000628915595 373751271 /nfs/dbraw/zinc/75/12/71/373751271.db2.gz BWYUXRXXLCHLBN-SECBINFHSA-N 1 2 293.389 -1.239 20 0 CAADLO CN1C[C@H](C(=O)NC[C@@H]2COCC[N@@H+]2C)NC1=O ZINC000628914109 373751283 /nfs/dbraw/zinc/75/12/83/373751283.db2.gz XUUHRSHRZNRARC-RKDXNWHRSA-N 1 2 256.306 -1.543 20 0 CAADLO CN1C[C@H](C(=O)NC[C@@H]2COCC[N@H+]2C)NC1=O ZINC000628914109 373751289 /nfs/dbraw/zinc/75/12/89/373751289.db2.gz XUUHRSHRZNRARC-RKDXNWHRSA-N 1 2 256.306 -1.543 20 0 CAADLO C[C@@H](CC(=O)NC[C@@H]1COCC[N@@H+]1C)NC(N)=O ZINC000628912274 373751464 /nfs/dbraw/zinc/75/14/64/373751464.db2.gz HEZSVVJCDXLEHI-DTWKUNHWSA-N 1 2 258.322 -1.120 20 0 CAADLO C[C@@H](CC(=O)NC[C@@H]1COCC[N@H+]1C)NC(N)=O ZINC000628912274 373751467 /nfs/dbraw/zinc/75/14/67/373751467.db2.gz HEZSVVJCDXLEHI-DTWKUNHWSA-N 1 2 258.322 -1.120 20 0 CAADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)C(C)(C)NS(C)(=O)=O ZINC000628915596 373751473 /nfs/dbraw/zinc/75/14/73/373751473.db2.gz BWYUXRXXLCHLBN-VIFPVBQESA-N 1 2 293.389 -1.239 20 0 CAADLO C[N@H+]1CCOC[C@@H]1CNC(=O)C(C)(C)NS(C)(=O)=O ZINC000628915596 373751478 /nfs/dbraw/zinc/75/14/78/373751478.db2.gz BWYUXRXXLCHLBN-VIFPVBQESA-N 1 2 293.389 -1.239 20 0 CAADLO Cn1c(=O)ccn(CC(=O)NC[C@@H]2COCC[N@@H+]2C)c1=O ZINC000628921686 373752535 /nfs/dbraw/zinc/75/25/35/373752535.db2.gz JPTWQYLSBSSNLG-SNVBAGLBSA-N 1 2 296.327 -2.006 20 0 CAADLO Cn1c(=O)ccn(CC(=O)NC[C@@H]2COCC[N@H+]2C)c1=O ZINC000628921686 373752540 /nfs/dbraw/zinc/75/25/40/373752540.db2.gz JPTWQYLSBSSNLG-SNVBAGLBSA-N 1 2 296.327 -2.006 20 0 CAADLO C[N@@H+]1CCOC[C@H]1CNC(=O)CN1CCOCC1 ZINC000628918381 373752823 /nfs/dbraw/zinc/75/28/23/373752823.db2.gz OSVSPWAXGFKWAQ-LLVKDONJSA-N 1 2 257.334 -1.235 20 0 CAADLO C[N@H+]1CCOC[C@H]1CNC(=O)CN1CCOCC1 ZINC000628918381 373752829 /nfs/dbraw/zinc/75/28/29/373752829.db2.gz OSVSPWAXGFKWAQ-LLVKDONJSA-N 1 2 257.334 -1.235 20 0 CAADLO C[C@H](O)[C@H](NC(=O)C1CC1)C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000628920519 373753035 /nfs/dbraw/zinc/75/30/35/373753035.db2.gz XXMAFNJRCICKCN-DLOVCJGASA-N 1 2 299.371 -1.291 20 0 CAADLO C[C@H](O)[C@H](NC(=O)C1CC1)C(=O)NC[C@H]1COCC[N@H+]1C ZINC000628920519 373753042 /nfs/dbraw/zinc/75/30/42/373753042.db2.gz XXMAFNJRCICKCN-DLOVCJGASA-N 1 2 299.371 -1.291 20 0 CAADLO CNC(=O)C1(C(=O)NC[C@H]2COCC[N@@H+]2C)CC1 ZINC000628921786 373753190 /nfs/dbraw/zinc/75/31/90/373753190.db2.gz LKFNVBQGRQIYML-VIFPVBQESA-N 1 2 255.318 -1.041 20 0 CAADLO CNC(=O)C1(C(=O)NC[C@H]2COCC[N@H+]2C)CC1 ZINC000628921786 373753193 /nfs/dbraw/zinc/75/31/93/373753193.db2.gz LKFNVBQGRQIYML-VIFPVBQESA-N 1 2 255.318 -1.041 20 0 CAADLO COCCN1C[C@@H](C(=O)NC[C@H]2COCC[N@@H+]2C)CC1=O ZINC000628920699 373753334 /nfs/dbraw/zinc/75/33/34/373753334.db2.gz FECSLAWCMHWQIG-RYUDHWBXSA-N 1 2 299.371 -1.072 20 0 CAADLO COCCN1C[C@@H](C(=O)NC[C@H]2COCC[N@H+]2C)CC1=O ZINC000628920699 373753339 /nfs/dbraw/zinc/75/33/39/373753339.db2.gz FECSLAWCMHWQIG-RYUDHWBXSA-N 1 2 299.371 -1.072 20 0 CAADLO CN1NN=C2C1=NCC[C@H]2C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000628923710 373753477 /nfs/dbraw/zinc/75/34/77/373753477.db2.gz SSFWDXFABKYZBI-VHSXEESVSA-N 1 2 294.359 -1.342 20 0 CAADLO CN1NN=C2C1=NCC[C@H]2C(=O)NC[C@H]1COCC[N@H+]1C ZINC000628923710 373753482 /nfs/dbraw/zinc/75/34/82/373753482.db2.gz SSFWDXFABKYZBI-VHSXEESVSA-N 1 2 294.359 -1.342 20 0 CAADLO C[C@H](NS(C)(=O)=O)C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000628919234 373753761 /nfs/dbraw/zinc/75/37/61/373753761.db2.gz SWILQIFQEXVMIG-IUCAKERBSA-N 1 2 279.362 -1.629 20 0 CAADLO C[C@H](NS(C)(=O)=O)C(=O)NC[C@H]1COCC[N@H+]1C ZINC000628919234 373753765 /nfs/dbraw/zinc/75/37/65/373753765.db2.gz SWILQIFQEXVMIG-IUCAKERBSA-N 1 2 279.362 -1.629 20 0 CAADLO C[N@@H+]1CCOC[C@H]1CNC(=O)CCNS(C)(=O)=O ZINC000628922861 373753861 /nfs/dbraw/zinc/75/38/61/373753861.db2.gz QAQVLJPEPCMYRE-SECBINFHSA-N 1 2 279.362 -1.628 20 0 CAADLO C[N@H+]1CCOC[C@H]1CNC(=O)CCNS(C)(=O)=O ZINC000628922861 373753865 /nfs/dbraw/zinc/75/38/65/373753865.db2.gz QAQVLJPEPCMYRE-SECBINFHSA-N 1 2 279.362 -1.628 20 0 CAADLO Cn1nc(C(=O)NC[C@H]2COCC[N@@H+]2C)ccc1=O ZINC000628924996 373753961 /nfs/dbraw/zinc/75/39/61/373753961.db2.gz IETMGRRXHMTIRZ-VIFPVBQESA-N 1 2 266.301 -1.159 20 0 CAADLO Cn1nc(C(=O)NC[C@H]2COCC[N@H+]2C)ccc1=O ZINC000628924996 373753966 /nfs/dbraw/zinc/75/39/66/373753966.db2.gz IETMGRRXHMTIRZ-VIFPVBQESA-N 1 2 266.301 -1.159 20 0 CAADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)CN1CCOCC1 ZINC000628918382 373754024 /nfs/dbraw/zinc/75/40/24/373754024.db2.gz OSVSPWAXGFKWAQ-NSHDSACASA-N 1 2 257.334 -1.235 20 0 CAADLO C[N@H+]1CCOC[C@@H]1CNC(=O)CN1CCOCC1 ZINC000628918382 373754033 /nfs/dbraw/zinc/75/40/33/373754033.db2.gz OSVSPWAXGFKWAQ-NSHDSACASA-N 1 2 257.334 -1.235 20 0 CAADLO COCCN1C[C@H](C(=O)NC[C@@H]2COCC[N@@H+]2C)CC1=O ZINC000628920702 373754143 /nfs/dbraw/zinc/75/41/43/373754143.db2.gz FECSLAWCMHWQIG-VXGBXAGGSA-N 1 2 299.371 -1.072 20 0 CAADLO COCCN1C[C@H](C(=O)NC[C@@H]2COCC[N@H+]2C)CC1=O ZINC000628920702 373754149 /nfs/dbraw/zinc/75/41/49/373754149.db2.gz FECSLAWCMHWQIG-VXGBXAGGSA-N 1 2 299.371 -1.072 20 0 CAADLO CN1NN=C2C1=NCC[C@@H]2C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000628923709 373754589 /nfs/dbraw/zinc/75/45/89/373754589.db2.gz SSFWDXFABKYZBI-UWVGGRQHSA-N 1 2 294.359 -1.342 20 0 CAADLO CN1NN=C2C1=NCC[C@@H]2C(=O)NC[C@H]1COCC[N@H+]1C ZINC000628923709 373754597 /nfs/dbraw/zinc/75/45/97/373754597.db2.gz SSFWDXFABKYZBI-UWVGGRQHSA-N 1 2 294.359 -1.342 20 0 CAADLO C[N@@H+]1CCO[C@H](CS(=O)(=O)NC/C=C/CO)C1 ZINC000632550263 373756267 /nfs/dbraw/zinc/75/62/67/373756267.db2.gz TWXOJJGYCMMGEF-PBKGFPTLSA-N 1 2 264.347 -1.215 20 0 CAADLO C[N@H+]1CCO[C@H](CS(=O)(=O)NC/C=C/CO)C1 ZINC000632550263 373756274 /nfs/dbraw/zinc/75/62/74/373756274.db2.gz TWXOJJGYCMMGEF-PBKGFPTLSA-N 1 2 264.347 -1.215 20 0 CAADLO COCC[N@H+](CC(=O)N1CCNC1=O)[C@@H](C)C(N)=O ZINC000436128192 373756535 /nfs/dbraw/zinc/75/65/35/373756535.db2.gz MDADVIFYCJFPHE-QMMMGPOBSA-N 1 2 272.305 -1.640 20 0 CAADLO COCC[N@@H+](CC(=O)N1CCNC1=O)[C@@H](C)C(N)=O ZINC000436128192 373756541 /nfs/dbraw/zinc/75/65/41/373756541.db2.gz MDADVIFYCJFPHE-QMMMGPOBSA-N 1 2 272.305 -1.640 20 0 CAADLO CC(C)(C(N)=O)[NH+]1CCN(C(=O)[C@@H]2CCCNC2=O)CC1 ZINC000631559420 373760543 /nfs/dbraw/zinc/76/05/43/373760543.db2.gz XQWBTWRRPXLQDO-SNVBAGLBSA-N 1 2 296.371 -1.079 20 0 CAADLO CC(C)(C(N)=O)[NH+]1CCN(C(=O)[C@H]2CCCNC2=O)CC1 ZINC000631559419 373761765 /nfs/dbraw/zinc/76/17/65/373761765.db2.gz XQWBTWRRPXLQDO-JTQLQIEISA-N 1 2 296.371 -1.079 20 0 CAADLO C[N@@H+]1CCN(S(=O)(=O)C[C@@H]2CCOC2)[C@@H](CO)C1 ZINC000632577640 373765402 /nfs/dbraw/zinc/76/54/02/373765402.db2.gz FCZRXRONVNBTPM-GHMZBOCLSA-N 1 2 278.374 -1.039 20 0 CAADLO C[N@H+]1CCN(S(=O)(=O)C[C@@H]2CCOC2)[C@@H](CO)C1 ZINC000632577640 373765407 /nfs/dbraw/zinc/76/54/07/373765407.db2.gz FCZRXRONVNBTPM-GHMZBOCLSA-N 1 2 278.374 -1.039 20 0 CAADLO CN(C1CC1)S(=O)(=O)N1CC[N@H+](C)C[C@H]1CO ZINC000632577435 373765424 /nfs/dbraw/zinc/76/54/24/373765424.db2.gz BFPGNXIROXMWLM-JTQLQIEISA-N 1 2 263.363 -1.066 20 0 CAADLO CN(C1CC1)S(=O)(=O)N1CC[N@@H+](C)C[C@H]1CO ZINC000632577435 373765431 /nfs/dbraw/zinc/76/54/31/373765431.db2.gz BFPGNXIROXMWLM-JTQLQIEISA-N 1 2 263.363 -1.066 20 0 CAADLO C[N@@H+]1CCN(S(=O)(=O)C[C@H]2CCOC2)[C@@H](CO)C1 ZINC000632577646 373765762 /nfs/dbraw/zinc/76/57/62/373765762.db2.gz FCZRXRONVNBTPM-WDEREUQCSA-N 1 2 278.374 -1.039 20 0 CAADLO C[N@H+]1CCN(S(=O)(=O)C[C@H]2CCOC2)[C@@H](CO)C1 ZINC000632577646 373765770 /nfs/dbraw/zinc/76/57/70/373765770.db2.gz FCZRXRONVNBTPM-WDEREUQCSA-N 1 2 278.374 -1.039 20 0 CAADLO CC[N@@H+]1CCOC[C@@H]1C(=O)N1CCO[C@@H](CC(N)=O)C1 ZINC000629393525 373767263 /nfs/dbraw/zinc/76/72/63/373767263.db2.gz BLYBMAJIJASEOS-WDEREUQCSA-N 1 2 285.344 -1.190 20 0 CAADLO CC[N@H+]1CCOC[C@@H]1C(=O)N1CCO[C@@H](CC(N)=O)C1 ZINC000629393525 373767272 /nfs/dbraw/zinc/76/72/72/373767272.db2.gz BLYBMAJIJASEOS-WDEREUQCSA-N 1 2 285.344 -1.190 20 0 CAADLO CC[N@@H+]1CCOC[C@H]1C(=O)N1CCO[C@H](CC(N)=O)C1 ZINC000629393523 373767547 /nfs/dbraw/zinc/76/75/47/373767547.db2.gz BLYBMAJIJASEOS-MNOVXSKESA-N 1 2 285.344 -1.190 20 0 CAADLO CC[N@H+]1CCOC[C@H]1C(=O)N1CCO[C@H](CC(N)=O)C1 ZINC000629393523 373767556 /nfs/dbraw/zinc/76/75/56/373767556.db2.gz BLYBMAJIJASEOS-MNOVXSKESA-N 1 2 285.344 -1.190 20 0 CAADLO CCNS(=O)(=O)NC[C@@](C)(O)C[NH+]1CCOCC1 ZINC000443248811 373769144 /nfs/dbraw/zinc/76/91/44/373769144.db2.gz LKLKSMHUYJYCSM-SNVBAGLBSA-N 1 2 281.378 -1.487 20 0 CAADLO CCNC(=O)CNS(=O)(=O)CCn1cc[nH+]c1 ZINC000641259415 373802643 /nfs/dbraw/zinc/80/26/43/373802643.db2.gz SNLANZGHOSCCFG-UHFFFAOYSA-N 1 2 260.319 -1.061 20 0 CAADLO O=C1NC[C@@H]2CN(S(=O)(=O)CCn3cc[nH+]c3)CCN12 ZINC000641371825 373804115 /nfs/dbraw/zinc/80/41/15/373804115.db2.gz NAVLIADXQLYIKW-SNVBAGLBSA-N 1 2 299.356 -1.078 20 0 CAADLO CN1CN(S(=O)(=O)CCn2cc[nH+]c2)CC1=O ZINC000641410388 373804138 /nfs/dbraw/zinc/80/41/38/373804138.db2.gz CQDHHXMJWASPOP-UHFFFAOYSA-N 1 2 258.303 -1.056 20 0 CAADLO C[C@@H](O)CN(CCO)S(=O)(=O)CCn1cc[nH+]c1 ZINC000641500649 373805890 /nfs/dbraw/zinc/80/58/90/373805890.db2.gz UUOGVIGBDDWYJB-SNVBAGLBSA-N 1 2 277.346 -1.112 20 0 CAADLO CS(=O)(=O)C1CN(S(=O)(=O)CCn2cc[nH+]c2)C1 ZINC000641542377 373808122 /nfs/dbraw/zinc/80/81/22/373808122.db2.gz DBQWEIBLVVHHNW-UHFFFAOYSA-N 1 2 293.370 -1.058 20 0 CAADLO CO[C@@H]1CN(S(=O)(=O)CCn2cc[nH+]c2)C[C@H]1O ZINC000641525498 373808379 /nfs/dbraw/zinc/80/83/79/373808379.db2.gz MDTTYCZKCQQPRT-NXEZZACHSA-N 1 2 275.330 -1.096 20 0 CAADLO CN1CCN(S(=O)(=O)CCn2cc[nH+]c2)[C@@H](CO)C1 ZINC000641621409 373810336 /nfs/dbraw/zinc/81/03/36/373810336.db2.gz PZEHMFVIUIGNHZ-LLVKDONJSA-N 1 2 288.373 -1.179 20 0 CAADLO COC[C@@H](CS(=O)(=O)N1CC[N@H+](C)C[C@H]1CO)OC ZINC000641621006 373810612 /nfs/dbraw/zinc/81/06/12/373810612.db2.gz KLXGRYSGUJXNGR-QWRGUYRKSA-N 1 2 296.389 -1.414 20 0 CAADLO COC[C@@H](CS(=O)(=O)N1CC[N@@H+](C)C[C@H]1CO)OC ZINC000641621006 373810621 /nfs/dbraw/zinc/81/06/21/373810621.db2.gz KLXGRYSGUJXNGR-QWRGUYRKSA-N 1 2 296.389 -1.414 20 0 CAADLO C[NH+](C)C1(CS(=O)(=O)NC2CS(=O)(=O)C2)CC1 ZINC000641651024 373813138 /nfs/dbraw/zinc/81/31/38/373813138.db2.gz ABFOCHBUIXGGKI-UHFFFAOYSA-N 1 2 282.387 -1.203 20 0 CAADLO O=C1[C@H]([N@@H+]2CCN3C(=O)C(=O)NC[C@@H]3C2)CCN1C1CC1 ZINC000152595655 373817072 /nfs/dbraw/zinc/81/70/72/373817072.db2.gz NDLGAHUNNJYTHM-GHMZBOCLSA-N 1 2 292.339 -1.608 20 0 CAADLO O=C1[C@H]([N@H+]2CCN3C(=O)C(=O)NC[C@@H]3C2)CCN1C1CC1 ZINC000152595655 373817075 /nfs/dbraw/zinc/81/70/75/373817075.db2.gz NDLGAHUNNJYTHM-GHMZBOCLSA-N 1 2 292.339 -1.608 20 0 CAADLO C[C@@H](NC(=O)Cn1cn[nH]c1=O)[C@@H](C)[NH+]1CCOCC1 ZINC000152994646 373821647 /nfs/dbraw/zinc/82/16/47/373821647.db2.gz LMQRVARRCAFNDT-NXEZZACHSA-N 1 2 283.332 -1.203 20 0 CAADLO CN(C)S(=O)(=O)N1CC([NH2+]Cc2cc[nH]n2)C1 ZINC000623793555 373825825 /nfs/dbraw/zinc/82/58/25/373825825.db2.gz JXRGILBWSBBODW-UHFFFAOYSA-N 1 2 259.335 -1.010 20 0 CAADLO CCCS(=O)(=O)CC(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000629913484 373791229 /nfs/dbraw/zinc/79/12/29/373791229.db2.gz YUWNAAGJTAQFDR-JTQLQIEISA-N 1 2 278.374 -1.006 20 0 CAADLO CCCS(=O)(=O)CC(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC000629913484 373791235 /nfs/dbraw/zinc/79/12/35/373791235.db2.gz YUWNAAGJTAQFDR-JTQLQIEISA-N 1 2 278.374 -1.006 20 0 CAADLO C[C@H]([C@H](C)NC(=O)CN1CCNCC1=O)[NH+]1CCOCC1 ZINC000167696153 373795343 /nfs/dbraw/zinc/79/53/43/373795343.db2.gz ZTBUMDZHPJHEEA-NWDGAFQWSA-N 1 2 298.387 -1.356 20 0 CAADLO C[C@H]([C@H](C)NC(=O)CN1CC[NH2+]CC1=O)N1CCOCC1 ZINC000167696153 373795351 /nfs/dbraw/zinc/79/53/51/373795351.db2.gz ZTBUMDZHPJHEEA-NWDGAFQWSA-N 1 2 298.387 -1.356 20 0 CAADLO CN1C[C@@H](NC(=O)[C@@H]2CCc3[nH+]c[nH]c3C2)C(=O)N1 ZINC000613255560 373795412 /nfs/dbraw/zinc/79/54/12/373795412.db2.gz ZLQKQGPXHOZNSB-GMSGAONNSA-N 1 2 263.301 -1.024 20 0 CAADLO CN1C[C@@H](NC(=O)[C@@H]2CCc3[nH]c[nH+]c3C2)C(=O)N1 ZINC000613255560 373795419 /nfs/dbraw/zinc/79/54/19/373795419.db2.gz ZLQKQGPXHOZNSB-GMSGAONNSA-N 1 2 263.301 -1.024 20 0 CAADLO CN1C[C@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C(=O)N1 ZINC000613254134 373796389 /nfs/dbraw/zinc/79/63/89/373796389.db2.gz OVNRFOBBQVNRGC-SCZZXKLOSA-N 1 2 263.301 -1.093 20 0 CAADLO CN1C[C@H](NC(=O)[C@H]2CCc3[nH+]c[nH]c3C2)C(=O)N1 ZINC000613255563 373796472 /nfs/dbraw/zinc/79/64/72/373796472.db2.gz ZLQKQGPXHOZNSB-XVKPBYJWSA-N 1 2 263.301 -1.024 20 0 CAADLO CN1C[C@H](NC(=O)[C@H]2CCc3[nH]c[nH+]c3C2)C(=O)N1 ZINC000613255563 373796476 /nfs/dbraw/zinc/79/64/76/373796476.db2.gz ZLQKQGPXHOZNSB-XVKPBYJWSA-N 1 2 263.301 -1.024 20 0 CAADLO COCCNC(=O)c1cn(CC[NH+]2CCOCC2)nn1 ZINC000641033595 373799796 /nfs/dbraw/zinc/79/97/96/373799796.db2.gz OLZHYONPIZUDIF-UHFFFAOYSA-N 1 2 283.332 -1.014 20 0 CAADLO O=S(=O)(CCn1cc[nH+]c1)N1C[C@H](O)C[C@H](O)C1 ZINC000641365245 373801736 /nfs/dbraw/zinc/80/17/36/373801736.db2.gz LVHWQMOSYBLYPS-AOOOYVTPSA-N 1 2 275.330 -1.360 20 0 CAADLO CNC(=O)CN(C)S(=O)(=O)CCn1cc[nH+]c1 ZINC000641259043 373801806 /nfs/dbraw/zinc/80/18/06/373801806.db2.gz YBIMRRYWTSPMNO-UHFFFAOYSA-N 1 2 260.319 -1.109 20 0 CAADLO CNC(=O)NCCC(=O)NC[C@H]1CN2CC[N@@H+]1CCC2 ZINC000614502574 373882255 /nfs/dbraw/zinc/88/22/55/373882255.db2.gz CBUDPPWMZWXNAR-NSHDSACASA-N 1 2 283.376 -1.188 20 0 CAADLO CNC(=O)NCCC(=O)NC[C@H]1CN2CC[N@H+]1CCC2 ZINC000614502574 373882262 /nfs/dbraw/zinc/88/22/62/373882262.db2.gz CBUDPPWMZWXNAR-NSHDSACASA-N 1 2 283.376 -1.188 20 0 CAADLO C[C@@H](CC(=O)NC[C@H]1CN2CC[N@@H+]1CCC2)NC(N)=O ZINC000614514223 373882327 /nfs/dbraw/zinc/88/23/27/373882327.db2.gz KHIDGACMKYRKQD-QWRGUYRKSA-N 1 2 283.376 -1.061 20 0 CAADLO C[C@@H](CC(=O)NC[C@H]1CN2CC[N@H+]1CCC2)NC(N)=O ZINC000614514223 373882332 /nfs/dbraw/zinc/88/23/32/373882332.db2.gz KHIDGACMKYRKQD-QWRGUYRKSA-N 1 2 283.376 -1.061 20 0 CAADLO O=C(CN1CCCNC1=O)NC[C@H]1CN2CC[N@@H+]1CCC2 ZINC000614512043 373882656 /nfs/dbraw/zinc/88/26/56/373882656.db2.gz NFFGMRILXJZXKY-LBPRGKRZSA-N 1 2 295.387 -1.092 20 0 CAADLO O=C(CN1CCCNC1=O)NC[C@H]1CN2CC[N@H+]1CCC2 ZINC000614512043 373882666 /nfs/dbraw/zinc/88/26/66/373882666.db2.gz NFFGMRILXJZXKY-LBPRGKRZSA-N 1 2 295.387 -1.092 20 0 CAADLO COCC(=O)N(C)CC(=O)NC[C@H]1CN2CC[N@@H+]1CCC2 ZINC000614504724 373882734 /nfs/dbraw/zinc/88/27/34/373882734.db2.gz YZNYUVCMKGBQKC-LBPRGKRZSA-N 1 2 298.387 -1.403 20 0 CAADLO COCC(=O)N(C)CC(=O)NC[C@H]1CN2CC[N@H+]1CCC2 ZINC000614504724 373882738 /nfs/dbraw/zinc/88/27/38/373882738.db2.gz YZNYUVCMKGBQKC-LBPRGKRZSA-N 1 2 298.387 -1.403 20 0 CAADLO CN1C(=O)C[C@H]([N@@H+]2CCC[C@@H](NS(C)(=O)=O)C2)C1=O ZINC000614563641 373885756 /nfs/dbraw/zinc/88/57/56/373885756.db2.gz MTGGAVJFXUHCIQ-BDAKNGLRSA-N 1 2 289.357 -1.243 20 0 CAADLO CN1C(=O)C[C@H]([N@H+]2CCC[C@@H](NS(C)(=O)=O)C2)C1=O ZINC000614563641 373885761 /nfs/dbraw/zinc/88/57/61/373885761.db2.gz MTGGAVJFXUHCIQ-BDAKNGLRSA-N 1 2 289.357 -1.243 20 0 CAADLO CN1C(=O)C[C@@H]([N@@H+]2CCC[C@H](NS(C)(=O)=O)C2)C1=O ZINC000614563644 373886365 /nfs/dbraw/zinc/88/63/65/373886365.db2.gz MTGGAVJFXUHCIQ-DTWKUNHWSA-N 1 2 289.357 -1.243 20 0 CAADLO CN1C(=O)C[C@@H]([N@H+]2CCC[C@H](NS(C)(=O)=O)C2)C1=O ZINC000614563644 373886368 /nfs/dbraw/zinc/88/63/68/373886368.db2.gz MTGGAVJFXUHCIQ-DTWKUNHWSA-N 1 2 289.357 -1.243 20 0 CAADLO CN1C(=O)C[C@@H]([N@@H+]2CCC[C@@H](NS(C)(=O)=O)C2)C1=O ZINC000614563648 373886549 /nfs/dbraw/zinc/88/65/49/373886549.db2.gz MTGGAVJFXUHCIQ-RKDXNWHRSA-N 1 2 289.357 -1.243 20 0 CAADLO CN1C(=O)C[C@@H]([N@H+]2CCC[C@@H](NS(C)(=O)=O)C2)C1=O ZINC000614563648 373886554 /nfs/dbraw/zinc/88/65/54/373886554.db2.gz MTGGAVJFXUHCIQ-RKDXNWHRSA-N 1 2 289.357 -1.243 20 0 CAADLO C[C@H](CS(C)(=O)=O)C(=O)N[C@@H](CO)C[NH+](C)C ZINC000614847652 373896638 /nfs/dbraw/zinc/89/66/38/373896638.db2.gz MWZLYYYKYMYKNU-RKDXNWHRSA-N 1 2 266.363 -1.294 20 0 CAADLO C[C@@H](CS(C)(=O)=O)C(=O)N[C@@H](CO)C[NH+](C)C ZINC000614847650 373896684 /nfs/dbraw/zinc/89/66/84/373896684.db2.gz MWZLYYYKYMYKNU-DTWKUNHWSA-N 1 2 266.363 -1.294 20 0 CAADLO C[N@H+](CC(=O)NC1CC1)CC(=O)N1CCNC1=O ZINC000128365514 373897102 /nfs/dbraw/zinc/89/71/02/373897102.db2.gz POXVZUGXDZCRPO-UHFFFAOYSA-N 1 2 254.290 -1.251 20 0 CAADLO C[N@@H+](CC(=O)NC1CC1)CC(=O)N1CCNC1=O ZINC000128365514 373897108 /nfs/dbraw/zinc/89/71/08/373897108.db2.gz POXVZUGXDZCRPO-UHFFFAOYSA-N 1 2 254.290 -1.251 20 0 CAADLO C[NH+](C)C[C@H](CO)NC(=O)CN1CCS(=O)(=O)CC1 ZINC000614854528 373898340 /nfs/dbraw/zinc/89/83/40/373898340.db2.gz PPNJGSJNNIWWCR-SNVBAGLBSA-N 1 2 293.389 -2.245 20 0 CAADLO C[NH+](C)C[C@@H](CO)NC(=O)C1(S(C)(=O)=O)CCC1 ZINC000614849721 373898941 /nfs/dbraw/zinc/89/89/41/373898941.db2.gz ZRKASWMFPYKFOV-VIFPVBQESA-N 1 2 278.374 -1.008 20 0 CAADLO CN1CCC[C@H]([NH+]2CCN(C(=O)CO)CC2)C1=O ZINC000540911506 373903870 /nfs/dbraw/zinc/90/38/70/373903870.db2.gz LWOYKRBILKFDNE-JTQLQIEISA-N 1 2 255.318 -1.256 20 0 CAADLO Cc1nn(CC(=O)NC[C@@H]2COCC[N@H+]2C)c(=O)o1 ZINC000630087605 373843757 /nfs/dbraw/zinc/84/37/57/373843757.db2.gz DPNQLJYNFQYIDK-SECBINFHSA-N 1 2 270.289 -1.408 20 0 CAADLO Cc1nn(CC(=O)NC[C@@H]2COCC[N@@H+]2C)c(=O)o1 ZINC000630087605 373843768 /nfs/dbraw/zinc/84/37/68/373843768.db2.gz DPNQLJYNFQYIDK-SECBINFHSA-N 1 2 270.289 -1.408 20 0 CAADLO O=C(CN1CCCNC1=O)NCC[NH+]1CCOCC1 ZINC000642345179 373847258 /nfs/dbraw/zinc/84/72/58/373847258.db2.gz HDGYYRJYDVYPCV-UHFFFAOYSA-N 1 2 270.333 -1.150 20 0 CAADLO Cn1c(C[N@@H+]2CCCC[C@@H]2C(N)=O)cc(=O)n(C)c1=O ZINC000010609654 373847834 /nfs/dbraw/zinc/84/78/34/373847834.db2.gz IPBDWRYSULOYFC-SNVBAGLBSA-N 1 2 280.328 -1.076 20 0 CAADLO Cn1c(C[N@H+]2CCCC[C@@H]2C(N)=O)cc(=O)n(C)c1=O ZINC000010609654 373847839 /nfs/dbraw/zinc/84/78/39/373847839.db2.gz IPBDWRYSULOYFC-SNVBAGLBSA-N 1 2 280.328 -1.076 20 0 CAADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)[C@@]1(C)CCNC1=O ZINC000630092405 373853325 /nfs/dbraw/zinc/85/33/25/373853325.db2.gz XBXARDSANVMVCW-CABZTGNLSA-N 1 2 255.318 -1.041 20 0 CAADLO C[N@H+]1CCOC[C@@H]1CNC(=O)[C@@]1(C)CCNC1=O ZINC000630092405 373853333 /nfs/dbraw/zinc/85/33/33/373853333.db2.gz XBXARDSANVMVCW-CABZTGNLSA-N 1 2 255.318 -1.041 20 0 CAADLO C[NH+](C)C[C@H](CO)NC(=O)[C@H]1CCCS1(=O)=O ZINC000614858897 373901862 /nfs/dbraw/zinc/90/18/62/373901862.db2.gz LYKJVWYZYJQPRX-RKDXNWHRSA-N 1 2 264.347 -1.398 20 0 CAADLO CC(=O)N1CC[NH+](CCNC(=O)CNC(=O)C2CC2)CC1 ZINC000613778746 373860500 /nfs/dbraw/zinc/86/05/00/373860500.db2.gz NEJIBBPEXLRTFK-UHFFFAOYSA-N 1 2 296.371 -1.207 20 0 CAADLO O=C(NCC1([NH+]2CCOCC2)CC1)[C@@H]1CC(=O)NC(=O)N1 ZINC000614026894 373866594 /nfs/dbraw/zinc/86/65/94/373866594.db2.gz FFSYLPJOAIQKGD-VIFPVBQESA-N 1 2 296.327 -1.435 20 0 CAADLO CC[C@H](C(=O)NC[C@H](O)C(N)=O)[N@@H+]1CCO[C@H](CC)C1 ZINC000614077919 373869993 /nfs/dbraw/zinc/86/99/93/373869993.db2.gz VGRCYIKXNGZFJF-MXWKQRLJSA-N 1 2 287.360 -1.162 20 0 CAADLO CC[C@H](C(=O)NC[C@H](O)C(N)=O)[N@H+]1CCO[C@H](CC)C1 ZINC000614077919 373869999 /nfs/dbraw/zinc/86/99/99/373869999.db2.gz VGRCYIKXNGZFJF-MXWKQRLJSA-N 1 2 287.360 -1.162 20 0 CAADLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC000614177899 373871927 /nfs/dbraw/zinc/87/19/27/373871927.db2.gz HOCKSDDXMKLGAC-ZJUUUORDSA-N 1 2 298.343 -1.236 20 0 CAADLO Cc1nnc(CC(=O)N[C@@H](CO)C[NH+]2CCOCC2)[nH]1 ZINC000614412527 373875441 /nfs/dbraw/zinc/87/54/41/373875441.db2.gz KTYMVILMNYLPKZ-SNVBAGLBSA-N 1 2 283.332 -1.535 20 0 CAADLO CN1C(=O)CC[C@H]1CC(=O)N[C@H](CO)C[NH+]1CCOCC1 ZINC000614411376 373875584 /nfs/dbraw/zinc/87/55/84/373875584.db2.gz CTXWPAVOUVPSLI-RYUDHWBXSA-N 1 2 299.371 -1.193 20 0 CAADLO NC(=O)[C@@H]1CC[C@@H]1C(=O)N[C@@H](CO)C[NH+]1CCOCC1 ZINC000614413297 373875635 /nfs/dbraw/zinc/87/56/35/373875635.db2.gz PHHIEWQIMYIZIC-MXWKQRLJSA-N 1 2 285.344 -1.693 20 0 CAADLO CC(=O)NC(C)(C)C(=O)N[C@@H](CO)C[NH+]1CCOCC1 ZINC000614410180 373875654 /nfs/dbraw/zinc/87/56/54/373875654.db2.gz PPBIALBUWDSQJI-LLVKDONJSA-N 1 2 287.360 -1.290 20 0 CAADLO COC[C@@](C)(O)C(=O)N[C@H](CO)C[NH+]1CCOCC1 ZINC000614409393 373875736 /nfs/dbraw/zinc/87/57/36/373875736.db2.gz FUZOBDFPBNFHIT-CMPLNLGQSA-N 1 2 276.333 -1.807 20 0 CAADLO COC[C@](C)(O)C(=O)N[C@@H](CO)C[NH+]1CCOCC1 ZINC000614409395 373875756 /nfs/dbraw/zinc/87/57/56/373875756.db2.gz FUZOBDFPBNFHIT-PWSUYJOCSA-N 1 2 276.333 -1.807 20 0 CAADLO CC(C)[C@@H](O)C(=O)N[C@@H](CO)C[NH+]1CCOCC1 ZINC000614412544 373876035 /nfs/dbraw/zinc/87/60/35/373876035.db2.gz LCAJACSFOGYPSO-GHMZBOCLSA-N 1 2 260.334 -1.187 20 0 CAADLO CC(C)(CO)C(=O)N[C@H](CO)C[NH+]1CCOCC1 ZINC000614410408 373876078 /nfs/dbraw/zinc/87/60/78/373876078.db2.gz WRHLRQRPSRPIAI-JTQLQIEISA-N 1 2 260.334 -1.186 20 0 CAADLO COC[C@H](OC)C(=O)N[C@@H](CO)C[NH+]1CCOCC1 ZINC000614413222 373876109 /nfs/dbraw/zinc/87/61/09/373876109.db2.gz ONTJBLQHMFGAND-MNOVXSKESA-N 1 2 276.333 -1.543 20 0 CAADLO CC(C)[C@@H](O)C(=O)N[C@H](CO)C[NH+]1CCOCC1 ZINC000614412547 373876119 /nfs/dbraw/zinc/87/61/19/373876119.db2.gz LCAJACSFOGYPSO-WDEREUQCSA-N 1 2 260.334 -1.187 20 0 CAADLO C[C@](O)(C(=O)N[C@H](CO)C[NH+]1CCOCC1)C1CC1 ZINC000614412576 373876132 /nfs/dbraw/zinc/87/61/32/373876132.db2.gz LRBZYGADXLMGMW-WCQYABFASA-N 1 2 272.345 -1.043 20 0 CAADLO COC[C@H](OC)C(=O)N[C@H](CO)C[NH+]1CCOCC1 ZINC000614413224 373876183 /nfs/dbraw/zinc/87/61/83/373876183.db2.gz ONTJBLQHMFGAND-QWRGUYRKSA-N 1 2 276.333 -1.543 20 0 CAADLO C[C@H](CC(N)=O)C(=O)N[C@@H](CO)C[NH+]1CCOCC1 ZINC000614413335 373876223 /nfs/dbraw/zinc/87/62/23/373876223.db2.gz PYZGYJTYNHHBIX-NXEZZACHSA-N 1 2 273.333 -1.693 20 0 CAADLO O=C(N[C@H](CO)C[NH+]1CCOCC1)[C@]1(O)CCOC1 ZINC000614412137 373876235 /nfs/dbraw/zinc/87/62/35/373876235.db2.gz HRCQMAQHCUWTSE-JQWIXIFHSA-N 1 2 274.317 -2.053 20 0 CAADLO CN1C(=O)CC[C@@H]1CC(=O)N[C@@H](CO)C[NH+]1CCOCC1 ZINC000614411503 373876259 /nfs/dbraw/zinc/87/62/59/373876259.db2.gz CTXWPAVOUVPSLI-VXGBXAGGSA-N 1 2 299.371 -1.193 20 0 CAADLO C[C@@H](CC(=O)N[C@H](CO)C[NH+]1CCOCC1)NC(N)=O ZINC000614413833 373876268 /nfs/dbraw/zinc/87/62/68/373876268.db2.gz SQKYPODOFUPGIK-UWVGGRQHSA-N 1 2 288.348 -1.757 20 0 CAADLO O=C(N[C@H](CO)C[NH+]1CCOCC1)[C@@]1(O)CCSC1 ZINC000614409556 373876295 /nfs/dbraw/zinc/87/62/95/373876295.db2.gz HIWSMTYEWLBROS-CMPLNLGQSA-N 1 2 290.385 -1.336 20 0 CAADLO NC(=O)[C@@H]1CC[C@@H]1C(=O)N[C@H](CO)C[NH+]1CCOCC1 ZINC000614413294 373876408 /nfs/dbraw/zinc/87/64/08/373876408.db2.gz PHHIEWQIMYIZIC-AXFHLTTASA-N 1 2 285.344 -1.693 20 0 CAADLO O=C(N[C@H](CO)C[NH+]1CCOCC1)[C@H](O)C1CCC1 ZINC000614412533 373876433 /nfs/dbraw/zinc/87/64/33/373876433.db2.gz KXPPKKDGPGTOLN-NWDGAFQWSA-N 1 2 272.345 -1.043 20 0 CAADLO O=C(N[C@@H](CO)C[NH+]1CCOCC1)[C@H](O)C1CCC1 ZINC000614412535 373876549 /nfs/dbraw/zinc/87/65/49/373876549.db2.gz KXPPKKDGPGTOLN-VXGBXAGGSA-N 1 2 272.345 -1.043 20 0 CAADLO O=C(N[C@H](CO)C[NH+]1CCOCC1)[C@@H](O)C1CCC1 ZINC000614412534 373876599 /nfs/dbraw/zinc/87/65/99/373876599.db2.gz KXPPKKDGPGTOLN-RYUDHWBXSA-N 1 2 272.345 -1.043 20 0 CAADLO C[C@@](O)(C(=O)N[C@H](CO)C[NH+]1CCOCC1)C1CC1 ZINC000614412574 373876644 /nfs/dbraw/zinc/87/66/44/373876644.db2.gz LRBZYGADXLMGMW-AAEUAGOBSA-N 1 2 272.345 -1.043 20 0 CAADLO CC[C@H](O)CC(=O)N[C@H](CO)C[NH+]1CCOCC1 ZINC000614414064 373878038 /nfs/dbraw/zinc/87/80/38/373878038.db2.gz SQUIDDGIKMOAFO-QWRGUYRKSA-N 1 2 260.334 -1.043 20 0 CAADLO CNC(=O)C(C)(C)CNC(=O)CN1CC[NH2+]CC1=O ZINC000566191215 373943503 /nfs/dbraw/zinc/94/35/03/373943503.db2.gz ZMMUTADONHEWIU-UHFFFAOYSA-N 1 2 270.333 -1.693 20 0 CAADLO C[C@@H]1[C@H](C)[S@](=O)CCN1C(=O)CN1CC[NH2+]CC1=O ZINC000566197122 373944790 /nfs/dbraw/zinc/94/47/90/373944790.db2.gz JUCVYPYXSJINBU-KFTBIWSRSA-N 1 2 287.385 -1.214 20 0 CAADLO C[C@@H](C(=O)N1CC[C@@H](CO)[C@H](O)C1)[NH+]1CCOCC1 ZINC000566570276 373948786 /nfs/dbraw/zinc/94/87/86/373948786.db2.gz GTBLENPPMSJLRU-SDDRHHMPSA-N 1 2 272.345 -1.091 20 0 CAADLO O=C(NCCN1CCNC(=O)C1)[C@@H]1CCc2c[nH+]cn2C1 ZINC000567976662 373964676 /nfs/dbraw/zinc/96/46/76/373964676.db2.gz RNXUTFXHZHKSIM-LLVKDONJSA-N 1 2 291.355 -1.007 20 0 CAADLO CC(C)NS(=O)(=O)[C@H]1CC[N@@H+]([C@H]2CC(=O)NC2=O)C1 ZINC000566627657 373951442 /nfs/dbraw/zinc/95/14/42/373951442.db2.gz LESNSASBJDBQDY-IUCAKERBSA-N 1 2 289.357 -1.196 20 0 CAADLO CC(C)NS(=O)(=O)[C@H]1CC[N@H+]([C@H]2CC(=O)NC2=O)C1 ZINC000566627657 373951445 /nfs/dbraw/zinc/95/14/45/373951445.db2.gz LESNSASBJDBQDY-IUCAKERBSA-N 1 2 289.357 -1.196 20 0 CAADLO NC(=O)CN1CCN(C(=O)Cn2cc[nH+]c2)CC1=O ZINC000566683936 373951927 /nfs/dbraw/zinc/95/19/27/373951927.db2.gz KYUQYNZPONIIHK-UHFFFAOYSA-N 1 2 265.273 -1.961 20 0 CAADLO O=C(CN1CC[NH2+]CC1=O)NCc1csc(=O)[nH]1 ZINC000567108451 373953061 /nfs/dbraw/zinc/95/30/61/373953061.db2.gz PPSZHVFKEJXENY-UHFFFAOYSA-N 1 2 270.314 -1.103 20 0 CAADLO CCn1c(N)c(C(=O)C[N@@H+]2CCC[C@H]2CO)c(=O)[nH]c1=O ZINC000154967477 373955946 /nfs/dbraw/zinc/95/59/46/373955946.db2.gz PHCKKKKXQYVNPU-QMMMGPOBSA-N 1 2 296.327 -1.222 20 0 CAADLO CCn1c(N)c(C(=O)C[N@H+]2CCC[C@H]2CO)c(=O)[nH]c1=O ZINC000154967477 373955962 /nfs/dbraw/zinc/95/59/62/373955962.db2.gz PHCKKKKXQYVNPU-QMMMGPOBSA-N 1 2 296.327 -1.222 20 0 CAADLO CCCCn1nnnc1C[N@@H+]1CC[C@@](O)(C(N)=O)C1 ZINC000311573127 373957992 /nfs/dbraw/zinc/95/79/92/373957992.db2.gz VFDSNLQRXVWTAR-NSHDSACASA-N 1 2 268.321 -1.105 20 0 CAADLO CCCCn1nnnc1C[N@H+]1CC[C@@](O)(C(N)=O)C1 ZINC000311573127 373958001 /nfs/dbraw/zinc/95/80/01/373958001.db2.gz VFDSNLQRXVWTAR-NSHDSACASA-N 1 2 268.321 -1.105 20 0 CAADLO C[C@@H]1C[N@H+](CCNC(=O)CCc2nn[nH]n2)CCO1 ZINC000630880259 373958574 /nfs/dbraw/zinc/95/85/74/373958574.db2.gz RQEGWCSZVRQEJW-SECBINFHSA-N 1 2 268.321 -1.031 20 0 CAADLO C[C@@H]1C[N@@H+](CCNC(=O)CCc2nn[nH]n2)CCO1 ZINC000630880259 373958582 /nfs/dbraw/zinc/95/85/82/373958582.db2.gz RQEGWCSZVRQEJW-SECBINFHSA-N 1 2 268.321 -1.031 20 0 CAADLO CNS(=O)(=O)[C@H]1CC[N@H+](CC(=O)NC2CC2)C1 ZINC000155889481 373959170 /nfs/dbraw/zinc/95/91/70/373959170.db2.gz XJAAWEDYKLXEQP-VIFPVBQESA-N 1 2 261.347 -1.112 20 0 CAADLO CNS(=O)(=O)[C@H]1CC[N@@H+](CC(=O)NC2CC2)C1 ZINC000155889481 373959179 /nfs/dbraw/zinc/95/91/79/373959179.db2.gz XJAAWEDYKLXEQP-VIFPVBQESA-N 1 2 261.347 -1.112 20 0 CAADLO CO[C@@H]1COC[C@H]1NC(=O)NC[C@@H]1CN(C)CC[N@@H+]1C ZINC000567747674 373961604 /nfs/dbraw/zinc/96/16/04/373961604.db2.gz SCZURHJEABZDOM-IJLUTSLNSA-N 1 2 286.376 -1.055 20 0 CAADLO CO[C@@H]1COC[C@H]1NC(=O)NC[C@@H]1CN(C)CC[N@H+]1C ZINC000567747674 373961613 /nfs/dbraw/zinc/96/16/13/373961613.db2.gz SCZURHJEABZDOM-IJLUTSLNSA-N 1 2 286.376 -1.055 20 0 CAADLO CCN1CCN(C[C@H](O)C[NH+]2CCOCC2)CC1=O ZINC000541701994 373906097 /nfs/dbraw/zinc/90/60/97/373906097.db2.gz JKHPTVQLHONGLJ-GFCCVEGCSA-N 1 2 271.361 -1.156 20 0 CAADLO CC[N@@H+]1CCOC[C@@H]1C(=O)NCCN1CCNC(=O)C1 ZINC000541902201 373906166 /nfs/dbraw/zinc/90/61/66/373906166.db2.gz IYBOYBSHXGKHEC-LLVKDONJSA-N 1 2 284.360 -1.745 20 0 CAADLO CC[N@H+]1CCOC[C@@H]1C(=O)NCCN1CCNC(=O)C1 ZINC000541902201 373906173 /nfs/dbraw/zinc/90/61/73/373906173.db2.gz IYBOYBSHXGKHEC-LLVKDONJSA-N 1 2 284.360 -1.745 20 0 CAADLO C[C@@H](O)C(=O)N1CC[NH+](CCNC(=O)[C@H](C)O)CC1 ZINC000614909267 373906576 /nfs/dbraw/zinc/90/65/76/373906576.db2.gz RFKIKKOFWBBLCA-VHSXEESVSA-N 1 2 273.333 -1.992 20 0 CAADLO COC(=O)CNC(=O)[C@@H](C)[N@@H+]1CCN2CCOC[C@H]2C1 ZINC000541698666 373906742 /nfs/dbraw/zinc/90/67/42/373906742.db2.gz DEMACHJYFVRBNF-GHMZBOCLSA-N 1 2 285.344 -1.320 20 0 CAADLO COC(=O)CNC(=O)[C@@H](C)[N@H+]1CCN2CCOC[C@H]2C1 ZINC000541698666 373906746 /nfs/dbraw/zinc/90/67/46/373906746.db2.gz DEMACHJYFVRBNF-GHMZBOCLSA-N 1 2 285.344 -1.320 20 0 CAADLO NC(=O)c1cccc(C(=O)NC[C@H]2C[NH+]3CCN2CC3)n1 ZINC000541991054 373909028 /nfs/dbraw/zinc/90/90/28/373909028.db2.gz YXDBSYFJAXSMLP-JTQLQIEISA-N 1 2 289.339 -1.090 20 0 CAADLO CNS(=O)(=O)C[C@H]1CCC[N@@H+]([C@@H]2CC(=O)NC2=O)C1 ZINC000630383460 373910280 /nfs/dbraw/zinc/91/02/80/373910280.db2.gz NCSDUQGUDYGWPX-DTWKUNHWSA-N 1 2 289.357 -1.337 20 0 CAADLO CNS(=O)(=O)C[C@H]1CCC[N@H+]([C@@H]2CC(=O)NC2=O)C1 ZINC000630383460 373910289 /nfs/dbraw/zinc/91/02/89/373910289.db2.gz NCSDUQGUDYGWPX-DTWKUNHWSA-N 1 2 289.357 -1.337 20 0 CAADLO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]([C@H]2CC(=O)NC2=O)C1 ZINC000630383457 373910367 /nfs/dbraw/zinc/91/03/67/373910367.db2.gz NCSDUQGUDYGWPX-BDAKNGLRSA-N 1 2 289.357 -1.337 20 0 CAADLO CNS(=O)(=O)C[C@@H]1CCC[N@H+]([C@H]2CC(=O)NC2=O)C1 ZINC000630383457 373910372 /nfs/dbraw/zinc/91/03/72/373910372.db2.gz NCSDUQGUDYGWPX-BDAKNGLRSA-N 1 2 289.357 -1.337 20 0 CAADLO O=C(NCC[NH+]1CCOCC1)N[C@@H]1CCOC[C@H]1O ZINC000630396571 373910491 /nfs/dbraw/zinc/91/04/91/373910491.db2.gz KGQLWNHHXFMTJZ-GHMZBOCLSA-N 1 2 273.333 -1.232 20 0 CAADLO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]([C@@H]2CC(=O)NC2=O)C1 ZINC000630383464 373910788 /nfs/dbraw/zinc/91/07/88/373910788.db2.gz NCSDUQGUDYGWPX-RKDXNWHRSA-N 1 2 289.357 -1.337 20 0 CAADLO CNS(=O)(=O)C[C@@H]1CCC[N@H+]([C@@H]2CC(=O)NC2=O)C1 ZINC000630383464 373910792 /nfs/dbraw/zinc/91/07/92/373910792.db2.gz NCSDUQGUDYGWPX-RKDXNWHRSA-N 1 2 289.357 -1.337 20 0 CAADLO O=C(NCC[NH+]1CCOCC1)[C@H]1CCCNC1=O ZINC000630414868 373912521 /nfs/dbraw/zinc/91/25/21/373912521.db2.gz YLWSFACUSULFDY-JTQLQIEISA-N 1 2 255.318 -1.039 20 0 CAADLO C[C@H]1C[N@H+](CCNC(=O)CS(=O)(=O)N(C)C)CCO1 ZINC000543282301 373912635 /nfs/dbraw/zinc/91/26/35/373912635.db2.gz CGSQJYKLQQEWGH-JTQLQIEISA-N 1 2 293.389 -1.285 20 0 CAADLO C[C@H]1C[N@@H+](CCNC(=O)CS(=O)(=O)N(C)C)CCO1 ZINC000543282301 373912643 /nfs/dbraw/zinc/91/26/43/373912643.db2.gz CGSQJYKLQQEWGH-JTQLQIEISA-N 1 2 293.389 -1.285 20 0 CAADLO CO[C@@H]1COC[C@H]1NC(=O)NC[C@H]1CN(C)CC[N@@H+]1C ZINC000567747675 373962550 /nfs/dbraw/zinc/96/25/50/373962550.db2.gz SCZURHJEABZDOM-QJPTWQEYSA-N 1 2 286.376 -1.055 20 0 CAADLO CO[C@@H]1COC[C@H]1NC(=O)NC[C@H]1CN(C)CC[N@H+]1C ZINC000567747675 373962553 /nfs/dbraw/zinc/96/25/53/373962553.db2.gz SCZURHJEABZDOM-QJPTWQEYSA-N 1 2 286.376 -1.055 20 0 CAADLO O=C(CNC(=O)CN1CC[NH2+]CC1=O)NCC1CC1 ZINC000567815282 373962562 /nfs/dbraw/zinc/96/25/62/373962562.db2.gz KCJRUEXGKHZNTE-UHFFFAOYSA-N 1 2 268.317 -1.939 20 0 CAADLO O=C(NCC[NH+]1CCOCC1)[C@@H]1CCCNC1=O ZINC000630414873 373913020 /nfs/dbraw/zinc/91/30/20/373913020.db2.gz YLWSFACUSULFDY-SNVBAGLBSA-N 1 2 255.318 -1.039 20 0 CAADLO O=C(NCC[NH+]1CCOCC1)N[C@@H]1COCC[C@H]1O ZINC000630406931 373913206 /nfs/dbraw/zinc/91/32/06/373913206.db2.gz BPEKSYBOXNAXNJ-GHMZBOCLSA-N 1 2 273.333 -1.232 20 0 CAADLO CN1CCN(CC(=O)NCC[NH+]2CCOCC2)CC1=O ZINC000545177722 373915511 /nfs/dbraw/zinc/91/55/11/373915511.db2.gz MEUBYAFOHROCQM-UHFFFAOYSA-N 1 2 284.360 -1.791 20 0 CAADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)[C@@H]1CCCNC1=O ZINC000631677606 373917253 /nfs/dbraw/zinc/91/72/53/373917253.db2.gz BTSJHKFDTIGYHO-VXGBXAGGSA-N 1 2 299.371 -1.336 20 0 CAADLO CCCNC(=O)CNS(=O)(=O)C[C@@H]1C[N@H+](C)CCO1 ZINC000631673575 373918016 /nfs/dbraw/zinc/91/80/16/373918016.db2.gz BUKMXISCUICGFZ-JTQLQIEISA-N 1 2 293.389 -1.237 20 0 CAADLO CCCNC(=O)CNS(=O)(=O)C[C@@H]1C[N@@H+](C)CCO1 ZINC000631673575 373918026 /nfs/dbraw/zinc/91/80/26/373918026.db2.gz BUKMXISCUICGFZ-JTQLQIEISA-N 1 2 293.389 -1.237 20 0 CAADLO CCNC(=O)CNS(=O)(=O)C[C@@H]1C[N@H+](C)CCO1 ZINC000631676522 373918067 /nfs/dbraw/zinc/91/80/67/373918067.db2.gz YZUHWLVGWAOSQG-VIFPVBQESA-N 1 2 279.362 -1.628 20 0 CAADLO CCNC(=O)CNS(=O)(=O)C[C@@H]1C[N@@H+](C)CCO1 ZINC000631676522 373918078 /nfs/dbraw/zinc/91/80/78/373918078.db2.gz YZUHWLVGWAOSQG-VIFPVBQESA-N 1 2 279.362 -1.628 20 0 CAADLO CCCNC(=O)CNS(=O)(=O)C[C@H]1C[N@H+](C)CCO1 ZINC000631673586 373918228 /nfs/dbraw/zinc/91/82/28/373918228.db2.gz BUKMXISCUICGFZ-SNVBAGLBSA-N 1 2 293.389 -1.237 20 0 CAADLO CCCNC(=O)CNS(=O)(=O)C[C@H]1C[N@@H+](C)CCO1 ZINC000631673586 373918234 /nfs/dbraw/zinc/91/82/34/373918234.db2.gz BUKMXISCUICGFZ-SNVBAGLBSA-N 1 2 293.389 -1.237 20 0 CAADLO CC[C@@H]1C[N@H+](CCNC(=O)CN2CC(=O)NC2=O)CCO1 ZINC000555323404 373927245 /nfs/dbraw/zinc/92/72/45/373927245.db2.gz QWERPPBKYVARAR-SNVBAGLBSA-N 1 2 298.343 -1.235 20 0 CAADLO CC[C@@H]1C[N@@H+](CCNC(=O)CN2CC(=O)NC2=O)CCO1 ZINC000555323404 373927253 /nfs/dbraw/zinc/92/72/53/373927253.db2.gz QWERPPBKYVARAR-SNVBAGLBSA-N 1 2 298.343 -1.235 20 0 CAADLO CC[N@@H+]1CCOC[C@@H]1C(=O)N1CC[C@@H](CO)[C@H](O)C1 ZINC000555291432 373927483 /nfs/dbraw/zinc/92/74/83/373927483.db2.gz MJLUEPBWJPJSEZ-QJPTWQEYSA-N 1 2 272.345 -1.091 20 0 CAADLO CC[N@H+]1CCOC[C@@H]1C(=O)N1CC[C@@H](CO)[C@H](O)C1 ZINC000555291432 373927491 /nfs/dbraw/zinc/92/74/91/373927491.db2.gz MJLUEPBWJPJSEZ-QJPTWQEYSA-N 1 2 272.345 -1.091 20 0 CAADLO COC(=O)[C@H](C)CN(C)C(=O)CN1CC[NH2+]CC1=O ZINC000564910168 373931799 /nfs/dbraw/zinc/93/17/99/373931799.db2.gz ZPZXCVBMOSPHOG-SECBINFHSA-N 1 2 271.317 -1.314 20 0 CAADLO C[C@@H](C(=O)N1CC(C)(C(N)=O)C1)[NH+]1CCN(C)CC1 ZINC000565022862 373934390 /nfs/dbraw/zinc/93/43/90/373934390.db2.gz SPISEKYIUKNROI-JTQLQIEISA-N 1 2 268.361 -1.044 20 0 CAADLO CCN1CCN(C(=O)CN2CC[NH2+]CC2=O)C(C)(C)C1=O ZINC000565304368 373935927 /nfs/dbraw/zinc/93/59/27/373935927.db2.gz RKWBXDFHHUEJIF-UHFFFAOYSA-N 1 2 296.371 -1.113 20 0 CAADLO C[C@H]1COCC[N@@H+]1CCNC(=O)NCc1nnn(C)n1 ZINC000565635039 373938282 /nfs/dbraw/zinc/93/82/82/373938282.db2.gz KFRGILOIOXVOIT-VIFPVBQESA-N 1 2 283.336 -1.270 20 0 CAADLO C[C@H]1COCC[N@H+]1CCNC(=O)NCc1nnn(C)n1 ZINC000565635039 373938286 /nfs/dbraw/zinc/93/82/86/373938286.db2.gz KFRGILOIOXVOIT-VIFPVBQESA-N 1 2 283.336 -1.270 20 0 CAADLO C[C@H]1CN(CCOCC[N@H+]2CC(=O)N[C@@H](C)C2)CC(=O)N1 ZINC000565462930 373938956 /nfs/dbraw/zinc/93/89/56/373938956.db2.gz KFAXNKCVVYLKLZ-RYUDHWBXSA-N 1 2 298.387 -1.356 20 0 CAADLO C[C@H]1CN(CCOCC[N@@H+]2CC(=O)N[C@@H](C)C2)CC(=O)N1 ZINC000565462930 373938965 /nfs/dbraw/zinc/93/89/65/373938965.db2.gz KFAXNKCVVYLKLZ-RYUDHWBXSA-N 1 2 298.387 -1.356 20 0 CAADLO CN(CCN1CCOCC1)C(=O)CN1CC[NH2+]CC1=O ZINC000565478438 373939206 /nfs/dbraw/zinc/93/92/06/373939206.db2.gz RUDPILCTUYZMMW-UHFFFAOYSA-N 1 2 284.360 -1.791 20 0 CAADLO CC(C)NC(=O)NCC[N@@H+]1CCO[C@@H](C(N)=O)C1 ZINC000578744021 373996200 /nfs/dbraw/zinc/99/62/00/373996200.db2.gz ZAOYCESCBLYPCQ-SECBINFHSA-N 1 2 258.322 -1.120 20 0 CAADLO CC(C)NC(=O)NCC[N@H+]1CCO[C@@H](C(N)=O)C1 ZINC000578744021 373996207 /nfs/dbraw/zinc/99/62/07/373996207.db2.gz ZAOYCESCBLYPCQ-SECBINFHSA-N 1 2 258.322 -1.120 20 0 CAADLO COC(=O)[C@@](C)(O)C[N@@H+]1CCSC[C@H]1C(N)=O ZINC000579034330 373997667 /nfs/dbraw/zinc/99/76/67/373997667.db2.gz FWAHMDYDNPGDNQ-XVKPBYJWSA-N 1 2 262.331 -1.187 20 0 CAADLO COC(=O)[C@@](C)(O)C[N@H+]1CCSC[C@H]1C(N)=O ZINC000579034330 373997672 /nfs/dbraw/zinc/99/76/72/373997672.db2.gz FWAHMDYDNPGDNQ-XVKPBYJWSA-N 1 2 262.331 -1.187 20 0 CAADLO CNS(=O)(=O)[C@H]1CCC[N@@H+]([C@H]2CC(=O)NC2=O)C1 ZINC000579137438 373998912 /nfs/dbraw/zinc/99/89/12/373998912.db2.gz BYDWQIDHDUKKKC-YUMQZZPRSA-N 1 2 275.330 -1.585 20 0 CAADLO CNS(=O)(=O)[C@H]1CCC[N@H+]([C@H]2CC(=O)NC2=O)C1 ZINC000579137438 373998917 /nfs/dbraw/zinc/99/89/17/373998917.db2.gz BYDWQIDHDUKKKC-YUMQZZPRSA-N 1 2 275.330 -1.585 20 0 CAADLO CS(=O)(=O)N[C@@H]1CC[N@@H+]([C@H]2CC(=O)NC2=O)C1 ZINC000579848993 374005356 /nfs/dbraw/zinc/00/53/56/374005356.db2.gz DBGMYBGNNYWCNS-RQJHMYQMSA-N 1 2 261.303 -1.975 20 0 CAADLO CS(=O)(=O)N[C@@H]1CC[N@H+]([C@H]2CC(=O)NC2=O)C1 ZINC000579848993 374005359 /nfs/dbraw/zinc/00/53/59/374005359.db2.gz DBGMYBGNNYWCNS-RQJHMYQMSA-N 1 2 261.303 -1.975 20 0 CAADLO CS(=O)(=O)N[C@@H]1CC[N@@H+]([C@@H]2CC(=O)NC2=O)C1 ZINC000579848992 374006228 /nfs/dbraw/zinc/00/62/28/374006228.db2.gz DBGMYBGNNYWCNS-RNFRBKRXSA-N 1 2 261.303 -1.975 20 0 CAADLO CS(=O)(=O)N[C@@H]1CC[N@H+]([C@@H]2CC(=O)NC2=O)C1 ZINC000579848992 374006234 /nfs/dbraw/zinc/00/62/34/374006234.db2.gz DBGMYBGNNYWCNS-RNFRBKRXSA-N 1 2 261.303 -1.975 20 0 CAADLO C[C@H]1C[N@H+](CCO)CCN1S(=O)(=O)N1CCC1 ZINC000580963921 374009868 /nfs/dbraw/zinc/00/98/68/374009868.db2.gz VEJFGCNNMBTINV-JTQLQIEISA-N 1 2 263.363 -1.065 20 0 CAADLO C[C@H]1C[N@@H+](CCO)CCN1S(=O)(=O)N1CCC1 ZINC000580963921 374009871 /nfs/dbraw/zinc/00/98/71/374009871.db2.gz VEJFGCNNMBTINV-JTQLQIEISA-N 1 2 263.363 -1.065 20 0 CAADLO O=C(N1CC(O)(CO)C1)C1([NH+]2CCOCC2)CCC1 ZINC000615430632 374011856 /nfs/dbraw/zinc/01/18/56/374011856.db2.gz YVHRBECMGBQHHA-UHFFFAOYSA-N 1 2 270.329 -1.193 20 0 CAADLO COC(=O)CCNC(=O)C[N@H+](C)CC(=O)NC1CC1 ZINC000016352637 374015425 /nfs/dbraw/zinc/01/54/25/374015425.db2.gz UFLRRIOBOQRZSX-UHFFFAOYSA-N 1 2 271.317 -1.124 20 0 CAADLO COC(=O)CCNC(=O)C[N@@H+](C)CC(=O)NC1CC1 ZINC000016352637 374015433 /nfs/dbraw/zinc/01/54/33/374015433.db2.gz UFLRRIOBOQRZSX-UHFFFAOYSA-N 1 2 271.317 -1.124 20 0 CAADLO COC(=O)CCNC(=O)C[N@H+](CC(N)=O)C(C)C ZINC000016419719 374015505 /nfs/dbraw/zinc/01/55/05/374015505.db2.gz BIJSODIHQLWSLD-UHFFFAOYSA-N 1 2 259.306 -1.139 20 0 CAADLO COC(=O)CCNC(=O)C[N@@H+](CC(N)=O)C(C)C ZINC000016419719 374015510 /nfs/dbraw/zinc/01/55/10/374015510.db2.gz BIJSODIHQLWSLD-UHFFFAOYSA-N 1 2 259.306 -1.139 20 0 CAADLO CC(=O)N1CC[NH+](CC(=O)N2CCC[C@H](C(N)=O)C2)CC1 ZINC000020940207 374016814 /nfs/dbraw/zinc/01/68/14/374016814.db2.gz MHQLHRXEEWXJME-LBPRGKRZSA-N 1 2 296.371 -1.126 20 0 CAADLO COCCNC(=O)C[NH+]1CCN(CC(=O)OC)CC1 ZINC000023256437 374017461 /nfs/dbraw/zinc/01/74/61/374017461.db2.gz JBIMSJMZZWRZCZ-UHFFFAOYSA-N 1 2 273.333 -1.460 20 0 CAADLO COc1c(N)[nH+]cnc1N1CC[C@@H](S(N)(=O)=O)C1 ZINC000568242482 373967894 /nfs/dbraw/zinc/96/78/94/373967894.db2.gz KICVDCKZCUVNOS-ZCFIWIBFSA-N 1 2 273.318 -1.065 20 0 CAADLO COc1c(N)nc[nH+]c1N1CC[C@@H](S(N)(=O)=O)C1 ZINC000568242482 373967898 /nfs/dbraw/zinc/96/78/98/373967898.db2.gz KICVDCKZCUVNOS-ZCFIWIBFSA-N 1 2 273.318 -1.065 20 0 CAADLO CCNS(=O)(=O)[C@@H]1CC[N@@H+]([C@H]2CC(=O)NC2=O)C1 ZINC000568409080 373970446 /nfs/dbraw/zinc/97/04/46/373970446.db2.gz XWIOEUBPGQPMIY-SFYZADRCSA-N 1 2 275.330 -1.585 20 0 CAADLO CCNS(=O)(=O)[C@@H]1CC[N@H+]([C@H]2CC(=O)NC2=O)C1 ZINC000568409080 373970451 /nfs/dbraw/zinc/97/04/51/373970451.db2.gz XWIOEUBPGQPMIY-SFYZADRCSA-N 1 2 275.330 -1.585 20 0 CAADLO C[N@H+](CC(=O)NC(=O)NC1CC1)[C@@H]1COC[C@H]1O ZINC000568779430 373971551 /nfs/dbraw/zinc/97/15/51/373971551.db2.gz GIWLALLTGPGBHE-RKDXNWHRSA-N 1 2 257.290 -1.334 20 0 CAADLO C[N@@H+](CC(=O)NC(=O)NC1CC1)[C@@H]1COC[C@H]1O ZINC000568779430 373971559 /nfs/dbraw/zinc/97/15/59/373971559.db2.gz GIWLALLTGPGBHE-RKDXNWHRSA-N 1 2 257.290 -1.334 20 0 CAADLO O=C(Cn1cnnn1)N1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000615557879 374021470 /nfs/dbraw/zinc/02/14/70/374021470.db2.gz VIGIEJHJRNMHJD-LLVKDONJSA-N 1 2 280.332 -1.004 20 0 CAADLO Cn1cnn(CC(=O)N[C@@H](CO)C[NH+]2CCOCC2)c1=O ZINC000568888601 373973026 /nfs/dbraw/zinc/97/30/26/373973026.db2.gz XGZRLEGEZUJGQF-SNVBAGLBSA-N 1 2 299.331 -2.609 20 0 CAADLO CS(=O)(=O)NC[C@@H]1CCC[N@@H+]([C@H]2CC(=O)NC2=O)C1 ZINC000569257028 373974906 /nfs/dbraw/zinc/97/49/06/373974906.db2.gz VQOPECCGINMGBQ-IUCAKERBSA-N 1 2 289.357 -1.337 20 0 CAADLO CS(=O)(=O)NC[C@@H]1CCC[N@H+]([C@H]2CC(=O)NC2=O)C1 ZINC000569257028 373974913 /nfs/dbraw/zinc/97/49/13/373974913.db2.gz VQOPECCGINMGBQ-IUCAKERBSA-N 1 2 289.357 -1.337 20 0 CAADLO COC(=O)C[C@H]1C(=O)NCCN1C(=O)Cn1cc[nH+]c1 ZINC000573177436 373979401 /nfs/dbraw/zinc/97/94/01/373979401.db2.gz RTRSQVNFCMLTJQ-VIFPVBQESA-N 1 2 280.284 -1.227 20 0 CAADLO CN(C)c1ncc(NC(=O)CN2CC[NH2+]CC2=O)cn1 ZINC000572999285 373979424 /nfs/dbraw/zinc/97/94/24/373979424.db2.gz PHNVGSFHNLOSPL-UHFFFAOYSA-N 1 2 278.316 -1.087 20 0 CAADLO O=C(CN1CC[NH2+]CC1=O)NCCCn1ccnn1 ZINC000573205003 373980851 /nfs/dbraw/zinc/98/08/51/373980851.db2.gz WBSZZKZRFNEWOV-UHFFFAOYSA-N 1 2 266.305 -1.784 20 0 CAADLO CCOC(=O)CN(CC(N)=O)C(=O)Cn1cc[nH+]c1 ZINC000573654279 373981906 /nfs/dbraw/zinc/98/19/06/373981906.db2.gz GLOUAPAUIWZINR-UHFFFAOYSA-N 1 2 268.273 -1.240 20 0 CAADLO O=C1CN(CCOCC[N@@H+]2CCNC(=O)C2)CCN1 ZINC000178591072 373988675 /nfs/dbraw/zinc/98/86/75/373988675.db2.gz ZYFPTBVFCONJDZ-UHFFFAOYSA-N 1 2 270.333 -2.133 20 0 CAADLO O=C1CN(CCOCC[N@H+]2CCNC(=O)C2)CCN1 ZINC000178591072 373988681 /nfs/dbraw/zinc/98/86/81/373988681.db2.gz ZYFPTBVFCONJDZ-UHFFFAOYSA-N 1 2 270.333 -2.133 20 0 CAADLO O=C1NC[C@H]2C[N@H+](Cc3ncccc3O)CCN2C1=O ZINC000578175001 373991024 /nfs/dbraw/zinc/99/10/24/373991024.db2.gz VWMMCRHDVVDXRR-VIFPVBQESA-N 1 2 276.296 -1.070 20 0 CAADLO O=C1NC[C@H]2C[N@@H+](Cc3ncccc3O)CCN2C1=O ZINC000578175001 373991029 /nfs/dbraw/zinc/99/10/29/373991029.db2.gz VWMMCRHDVVDXRR-VIFPVBQESA-N 1 2 276.296 -1.070 20 0 CAADLO O=C1[C@@H]2C[C@@H]2C(=O)N1C[C@H](O)C[NH+]1CCOCC1 ZINC000380252543 373993403 /nfs/dbraw/zinc/99/34/03/373993403.db2.gz MJSBKTLXQTVJIP-BBBLOLIVSA-N 1 2 254.286 -1.316 20 0 CAADLO O=C([C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CCOC1 ZINC000615759367 374025768 /nfs/dbraw/zinc/02/57/68/374025768.db2.gz PHVDFTZVOJUBGI-GFCCVEGCSA-N 1 2 297.355 -1.017 20 0 CAADLO C[C@H](C[NH+]1CCOCC1)NC(=O)CN1C(=O)CN(C)C1=O ZINC000046888770 374030878 /nfs/dbraw/zinc/03/08/78/374030878.db2.gz PWVSHNKPPIPBEK-SNVBAGLBSA-N 1 2 298.343 -1.283 20 0 CAADLO CNC(=O)CC[N@@H+]1CCNC(=O)[C@@H]1CC(=O)OC ZINC000046503118 374031627 /nfs/dbraw/zinc/03/16/27/374031627.db2.gz GDECOUIARYNLSL-QMMMGPOBSA-N 1 2 257.290 -1.514 20 0 CAADLO CNC(=O)CC[N@H+]1CCNC(=O)[C@@H]1CC(=O)OC ZINC000046503118 374031635 /nfs/dbraw/zinc/03/16/35/374031635.db2.gz GDECOUIARYNLSL-QMMMGPOBSA-N 1 2 257.290 -1.514 20 0 CAADLO C[C@H](C[NH+]1CCOCC1)NC(=O)Cn1ccc(=O)[nH]c1=O ZINC000046887839 374031767 /nfs/dbraw/zinc/03/17/67/374031767.db2.gz MQQQTFPIPQOFCQ-SNVBAGLBSA-N 1 2 296.327 -1.627 20 0 CAADLO CN(CC(=O)NCCn1cc[nH+]c1)S(C)(=O)=O ZINC000046150184 374032104 /nfs/dbraw/zinc/03/21/04/374032104.db2.gz SAKFGBSJMIYHGY-UHFFFAOYSA-N 1 2 260.319 -1.109 20 0 CAADLO CCNC(=O)NC(=O)C[N@H+](C)CC(=O)N1CCOCC1 ZINC000060941581 374035481 /nfs/dbraw/zinc/03/54/81/374035481.db2.gz GGHAIKIQOGYESE-UHFFFAOYSA-N 1 2 286.332 -1.377 20 0 CAADLO CCNC(=O)NC(=O)C[N@@H+](C)CC(=O)N1CCOCC1 ZINC000060941581 374035488 /nfs/dbraw/zinc/03/54/88/374035488.db2.gz GGHAIKIQOGYESE-UHFFFAOYSA-N 1 2 286.332 -1.377 20 0 CAADLO O=C(CCCN1C(=O)CNC1=O)NCC[NH+]1CCOCC1 ZINC000060781303 374036017 /nfs/dbraw/zinc/03/60/17/374036017.db2.gz BCGZLZJKEFAJAF-UHFFFAOYSA-N 1 2 298.343 -1.233 20 0 CAADLO CS(=O)(=O)N1CC[NH+](CCCC(=O)NC(N)=O)CC1 ZINC000065949829 374036214 /nfs/dbraw/zinc/03/62/14/374036214.db2.gz HXWKZIFTIDBXMY-UHFFFAOYSA-N 1 2 292.361 -1.461 20 0 CAADLO C[NH+](CC(=O)N1CCOCC1)CC(=O)N1CCOCC1 ZINC000061784460 374036555 /nfs/dbraw/zinc/03/65/55/374036555.db2.gz BPNFNUUJGGPICV-UHFFFAOYSA-N 1 2 285.344 -1.364 20 0 CAADLO NC(=O)NC(=O)C[N@@H+]1CCCC[C@@H]1C(=O)N1CCOCC1 ZINC000066893628 374037719 /nfs/dbraw/zinc/03/77/19/374037719.db2.gz ZJVDWMJFSIAYJW-SNVBAGLBSA-N 1 2 298.343 -1.105 20 0 CAADLO NC(=O)NC(=O)C[N@H+]1CCCC[C@@H]1C(=O)N1CCOCC1 ZINC000066893628 374037727 /nfs/dbraw/zinc/03/77/27/374037727.db2.gz ZJVDWMJFSIAYJW-SNVBAGLBSA-N 1 2 298.343 -1.105 20 0 CAADLO CCOC(=O)c1n[nH]c(CNC(=O)[C@@H]2C[N@H+](C)CCO2)n1 ZINC000615918058 374038031 /nfs/dbraw/zinc/03/80/31/374038031.db2.gz QXAMLGYXPUFPLJ-QMMMGPOBSA-N 1 2 297.315 -1.072 20 0 CAADLO CCOC(=O)c1n[nH]c(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)n1 ZINC000615918058 374038043 /nfs/dbraw/zinc/03/80/43/374038043.db2.gz QXAMLGYXPUFPLJ-QMMMGPOBSA-N 1 2 297.315 -1.072 20 0 CAADLO COC(=O)CCNC(=O)C[N@@H+]1CCC[C@@H]1C(N)=O ZINC000066864211 374038226 /nfs/dbraw/zinc/03/82/26/374038226.db2.gz UILALCIUUAJWNC-MRVPVSSYSA-N 1 2 257.290 -1.385 20 0 CAADLO COC(=O)CCNC(=O)C[N@H+]1CCC[C@@H]1C(N)=O ZINC000066864211 374038236 /nfs/dbraw/zinc/03/82/36/374038236.db2.gz UILALCIUUAJWNC-MRVPVSSYSA-N 1 2 257.290 -1.385 20 0 CAADLO NC(=O)c1ccc(C(=O)NCCC[N@@H+]2CCNC(=O)C2)[nH]1 ZINC000621929990 374081326 /nfs/dbraw/zinc/08/13/26/374081326.db2.gz DWRCRZVHSJGZND-UHFFFAOYSA-N 1 2 293.327 -1.335 20 0 CAADLO NC(=O)c1ccc(C(=O)NCCC[N@H+]2CCNC(=O)C2)[nH]1 ZINC000621929990 374081337 /nfs/dbraw/zinc/08/13/37/374081337.db2.gz DWRCRZVHSJGZND-UHFFFAOYSA-N 1 2 293.327 -1.335 20 0 CAADLO CN1CC[C@@H](NC(=O)NC[C@@H]2COCC[N@@H+]2C)C1=O ZINC000623644104 374044114 /nfs/dbraw/zinc/04/41/14/374044114.db2.gz MLWSNZXONUHDHD-NXEZZACHSA-N 1 2 270.333 -1.153 20 0 CAADLO CN1CC[C@@H](NC(=O)NC[C@@H]2COCC[N@H+]2C)C1=O ZINC000623644104 374044121 /nfs/dbraw/zinc/04/41/21/374044121.db2.gz MLWSNZXONUHDHD-NXEZZACHSA-N 1 2 270.333 -1.153 20 0 CAADLO Cn1c(N)c(C(=O)C[N@@H+]2CCC[C@@H](O)C2)c(=O)n(C)c1=O ZINC000298659668 374049751 /nfs/dbraw/zinc/04/97/51/374049751.db2.gz ITSPTDRKQLLCEB-MRVPVSSYSA-N 1 2 296.327 -1.694 20 0 CAADLO Cn1c(N)c(C(=O)C[N@H+]2CCC[C@@H](O)C2)c(=O)n(C)c1=O ZINC000298659668 374049755 /nfs/dbraw/zinc/04/97/55/374049755.db2.gz ITSPTDRKQLLCEB-MRVPVSSYSA-N 1 2 296.327 -1.694 20 0 CAADLO Cn1nnnc1N1CC[NH+](CC(=O)N2CCOCC2)CC1 ZINC000618481275 374051055 /nfs/dbraw/zinc/05/10/55/374051055.db2.gz IPGHZKYSSMGXGY-UHFFFAOYSA-N 1 2 295.347 -1.809 20 0 CAADLO CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)C[NH+](C)C)C[C@H]21 ZINC000619225522 374054551 /nfs/dbraw/zinc/05/45/51/374054551.db2.gz XLAOXWGIAAHLEX-AEJSXWLSSA-N 1 2 276.358 -1.182 20 0 CAADLO COC(=O)CC1(C[N@@H+]2CCN3C(=O)C(=O)NC[C@@H]3C2)CC1 ZINC000619648621 374057684 /nfs/dbraw/zinc/05/76/84/374057684.db2.gz VJIWJEJVWHABQC-SNVBAGLBSA-N 1 2 295.339 -1.028 20 0 CAADLO COC(=O)CC1(C[N@H+]2CCN3C(=O)C(=O)NC[C@@H]3C2)CC1 ZINC000619648621 374057690 /nfs/dbraw/zinc/05/76/90/374057690.db2.gz VJIWJEJVWHABQC-SNVBAGLBSA-N 1 2 295.339 -1.028 20 0 CAADLO CNC(=O)NC(=O)[C@@H](C)[N@@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000619784312 374060367 /nfs/dbraw/zinc/06/03/67/374060367.db2.gz MGQSJPHWOUBIQW-HLTSFMKQSA-N 1 2 257.290 -1.070 20 0 CAADLO CNC(=O)NC(=O)[C@@H](C)[N@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000619784312 374060372 /nfs/dbraw/zinc/06/03/72/374060372.db2.gz MGQSJPHWOUBIQW-HLTSFMKQSA-N 1 2 257.290 -1.070 20 0 CAADLO CCC[N@H+](CCS(=O)(=O)NC)CC(=O)NC ZINC000621249911 374065622 /nfs/dbraw/zinc/06/56/22/374065622.db2.gz HELJGMBCNVVVGA-UHFFFAOYSA-N 1 2 251.352 -1.006 20 0 CAADLO CCC[N@@H+](CCS(=O)(=O)NC)CC(=O)NC ZINC000621249911 374065626 /nfs/dbraw/zinc/06/56/26/374065626.db2.gz HELJGMBCNVVVGA-UHFFFAOYSA-N 1 2 251.352 -1.006 20 0 CAADLO CNS(=O)(=O)CC[N@@H+]1CCCN(S(C)(=O)=O)CC1 ZINC000621245655 374066502 /nfs/dbraw/zinc/06/65/02/374066502.db2.gz PIYOTQRTZWJJBP-UHFFFAOYSA-N 1 2 299.418 -1.497 20 0 CAADLO CNS(=O)(=O)CC[N@H+]1CCCN(S(C)(=O)=O)CC1 ZINC000621245655 374066514 /nfs/dbraw/zinc/06/65/14/374066514.db2.gz PIYOTQRTZWJJBP-UHFFFAOYSA-N 1 2 299.418 -1.497 20 0 CAADLO CNS(=O)(=O)CCN(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000621261834 374068057 /nfs/dbraw/zinc/06/80/57/374068057.db2.gz FWJJUBCPGMVVTI-NSHDSACASA-N 1 2 295.405 -1.840 20 0 CAADLO CNS(=O)(=O)CC[N@H+](C)CCNC(=O)N(C)C ZINC000621272042 374068541 /nfs/dbraw/zinc/06/85/41/374068541.db2.gz AVUYRSQDTRFPGZ-UHFFFAOYSA-N 1 2 266.367 -1.261 20 0 CAADLO CNS(=O)(=O)CC[N@@H+](C)CCNC(=O)N(C)C ZINC000621272042 374068547 /nfs/dbraw/zinc/06/85/47/374068547.db2.gz AVUYRSQDTRFPGZ-UHFFFAOYSA-N 1 2 266.367 -1.261 20 0 CAADLO CNS(=O)(=O)CC[N@@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000621258422 374068802 /nfs/dbraw/zinc/06/88/02/374068802.db2.gz KNBOHIANGVAJGR-MRVPVSSYSA-N 1 2 285.391 -1.841 20 0 CAADLO CNS(=O)(=O)CC[N@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000621258422 374068809 /nfs/dbraw/zinc/06/88/09/374068809.db2.gz KNBOHIANGVAJGR-MRVPVSSYSA-N 1 2 285.391 -1.841 20 0 CAADLO CNS(=O)(=O)CC[N@H+](CCO)CCN1CCOCC1 ZINC000621261446 374068880 /nfs/dbraw/zinc/06/88/80/374068880.db2.gz QAOUDCARDQDZTK-UHFFFAOYSA-N 1 2 295.405 -1.838 20 0 CAADLO CNS(=O)(=O)CC[N@@H+](CCO)CCN1CCOCC1 ZINC000621261446 374068883 /nfs/dbraw/zinc/06/88/83/374068883.db2.gz QAOUDCARDQDZTK-UHFFFAOYSA-N 1 2 295.405 -1.838 20 0 CAADLO CNS(=O)(=O)CC[N@@H+]1C[C@@H](C)O[C@H](CO)C1 ZINC000621285382 374069251 /nfs/dbraw/zinc/06/92/51/374069251.db2.gz XGKKZQCOFGAYOL-BDAKNGLRSA-N 1 2 252.336 -1.383 20 0 CAADLO CNS(=O)(=O)CC[N@H+]1C[C@@H](C)O[C@H](CO)C1 ZINC000621285382 374069256 /nfs/dbraw/zinc/06/92/56/374069256.db2.gz XGKKZQCOFGAYOL-BDAKNGLRSA-N 1 2 252.336 -1.383 20 0 CAADLO CNS(=O)(=O)CC[N@@H+]1CCN2C(=O)CC[C@H]2C1 ZINC000621271755 374069598 /nfs/dbraw/zinc/06/95/98/374069598.db2.gz SEHRZUNLJVGNDT-VIFPVBQESA-N 1 2 261.347 -1.158 20 0 CAADLO CNS(=O)(=O)CC[N@H+]1CCN2C(=O)CC[C@H]2C1 ZINC000621271755 374069602 /nfs/dbraw/zinc/06/96/02/374069602.db2.gz SEHRZUNLJVGNDT-VIFPVBQESA-N 1 2 261.347 -1.158 20 0 CAADLO CNS(=O)(=O)CC[N@H+](C)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000621297520 374070882 /nfs/dbraw/zinc/07/08/82/374070882.db2.gz RCESYQMVSDSDRI-SECBINFHSA-N 1 2 299.418 -1.499 20 0 CAADLO CNS(=O)(=O)CC[N@@H+](C)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000621297520 374070889 /nfs/dbraw/zinc/07/08/89/374070889.db2.gz RCESYQMVSDSDRI-SECBINFHSA-N 1 2 299.418 -1.499 20 0 CAADLO NC(=O)C[N@H+](CC(=O)N1CCNC(=O)C1)C1CCCC1 ZINC000076995706 374070915 /nfs/dbraw/zinc/07/09/15/374070915.db2.gz QZUMBPJZBRWFJF-UHFFFAOYSA-N 1 2 282.344 -1.325 20 0 CAADLO NC(=O)C[N@@H+](CC(=O)N1CCNC(=O)C1)C1CCCC1 ZINC000076995706 374070923 /nfs/dbraw/zinc/07/09/23/374070923.db2.gz QZUMBPJZBRWFJF-UHFFFAOYSA-N 1 2 282.344 -1.325 20 0 CAADLO C[N@@H+]1CCOC[C@H]1CNC(=O)N[C@H]1CCNC1=O ZINC000624320605 374110233 /nfs/dbraw/zinc/11/02/33/374110233.db2.gz ZLZCMBBOHSILPN-BDAKNGLRSA-N 1 2 256.306 -1.495 20 0 CAADLO C[N@H+]1CCOC[C@H]1CNC(=O)N[C@H]1CCNC1=O ZINC000624320605 374110242 /nfs/dbraw/zinc/11/02/42/374110242.db2.gz ZLZCMBBOHSILPN-BDAKNGLRSA-N 1 2 256.306 -1.495 20 0 CAADLO C[C@@H]1CC[C@@H](Nc2nc(N)nc(N)[nH+]2)CS1(=O)=O ZINC000624397364 374113176 /nfs/dbraw/zinc/11/31/76/374113176.db2.gz YIRBUXFSTFQZSV-PHDIDXHHSA-N 1 2 272.334 -1.504 20 0 CAADLO C[C@@H]1CC[C@H](Nc2nc(N)nc(N)[nH+]2)CS1(=O)=O ZINC000624397365 374113551 /nfs/dbraw/zinc/11/35/51/374113551.db2.gz YIRBUXFSTFQZSV-RITPCOANSA-N 1 2 272.334 -1.504 20 0 CAADLO C[C@H](O)CNc1cc(N2C[C@H](O)[C@@H](O)C2)nc[nH+]1 ZINC000624479847 374114077 /nfs/dbraw/zinc/11/40/77/374114077.db2.gz BGPVLUGUNZVCFH-CIUDSAMLSA-N 1 2 254.290 -1.189 20 0 CAADLO C[C@H](O)CNc1cc(N2C[C@H](O)[C@@H](O)C2)[nH+]cn1 ZINC000624479847 374114081 /nfs/dbraw/zinc/11/40/81/374114081.db2.gz BGPVLUGUNZVCFH-CIUDSAMLSA-N 1 2 254.290 -1.189 20 0 CAADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@]1(O)CCOC1 ZINC000622418799 374086910 /nfs/dbraw/zinc/08/69/10/374086910.db2.gz UFQUGTQBPUXHEN-AAEUAGOBSA-N 1 2 288.344 -1.711 20 0 CAADLO C[C@@H]1C[N@H+](CCNC(=O)[C@]2(O)CCOC2)CCO1 ZINC000622342006 374087370 /nfs/dbraw/zinc/08/73/70/374087370.db2.gz XKEMXBPGPWMEHO-PWSUYJOCSA-N 1 2 258.318 -1.025 20 0 CAADLO C[C@@H]1C[N@@H+](CCNC(=O)[C@]2(O)CCOC2)CCO1 ZINC000622342006 374087373 /nfs/dbraw/zinc/08/73/73/374087373.db2.gz XKEMXBPGPWMEHO-PWSUYJOCSA-N 1 2 258.318 -1.025 20 0 CAADLO Cn1nnnc1CCNC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000623845018 374091220 /nfs/dbraw/zinc/09/12/20/374091220.db2.gz PSAKDBLUIWBYGA-SECBINFHSA-N 1 2 283.336 -1.618 20 0 CAADLO Cn1nnnc1CCNC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000623845018 374091227 /nfs/dbraw/zinc/09/12/27/374091227.db2.gz PSAKDBLUIWBYGA-SECBINFHSA-N 1 2 283.336 -1.618 20 0 CAADLO CN(C)S(=O)(=O)N1CC([NH2+]Cc2ncc[nH]2)C1 ZINC000623793266 374091392 /nfs/dbraw/zinc/09/13/92/374091392.db2.gz ZUZIVGNIPLCNFD-UHFFFAOYSA-N 1 2 259.335 -1.010 20 0 CAADLO CN(C)S(=O)(=O)N1CC(NCc2[nH]cc[nH+]2)C1 ZINC000623793266 374091398 /nfs/dbraw/zinc/09/13/98/374091398.db2.gz ZUZIVGNIPLCNFD-UHFFFAOYSA-N 1 2 259.335 -1.010 20 0 CAADLO CN1C[C@H](NC(=O)NC[C@@H]2COCC[N@@H+]2C)CC1=O ZINC000623722644 374091506 /nfs/dbraw/zinc/09/15/06/374091506.db2.gz SHNRUZSJRLLYTM-NXEZZACHSA-N 1 2 270.333 -1.153 20 0 CAADLO CN1C[C@H](NC(=O)NC[C@@H]2COCC[N@H+]2C)CC1=O ZINC000623722644 374091513 /nfs/dbraw/zinc/09/15/13/374091513.db2.gz SHNRUZSJRLLYTM-NXEZZACHSA-N 1 2 270.333 -1.153 20 0 CAADLO CN1C[C@@H](NC(=O)NC[C@@H]2COCC[N@@H+]2C)CC1=O ZINC000623722646 374091873 /nfs/dbraw/zinc/09/18/73/374091873.db2.gz SHNRUZSJRLLYTM-VHSXEESVSA-N 1 2 270.333 -1.153 20 0 CAADLO CN1C[C@@H](NC(=O)NC[C@@H]2COCC[N@H+]2C)CC1=O ZINC000623722646 374091880 /nfs/dbraw/zinc/09/18/80/374091880.db2.gz SHNRUZSJRLLYTM-VHSXEESVSA-N 1 2 270.333 -1.153 20 0 CAADLO CCS(=O)(=O)C[C@@H](C)Nc1nc(N)nc(N)[nH+]1 ZINC000623971483 374099128 /nfs/dbraw/zinc/09/91/28/374099128.db2.gz XXGWKBLQVHCQIE-RXMQYKEDSA-N 1 2 260.323 -1.646 20 0 CAADLO Nc1nc(N)[nH+]c(N[C@@H]2CCCS(=O)(=O)C2)n1 ZINC000623980397 374099587 /nfs/dbraw/zinc/09/95/87/374099587.db2.gz FSSBMYAWONKTGY-RXMQYKEDSA-N 1 2 258.307 -1.892 20 0 CAADLO Nc1nc(N)[nH+]c(NC[C@@H]2CCCS2(=O)=O)n1 ZINC000624043291 374101794 /nfs/dbraw/zinc/10/17/94/374101794.db2.gz UJLRBYQLGKFESM-YFKPBYRVSA-N 1 2 258.307 -1.892 20 0 CAADLO Cc1nc(CN2CCN(c3nc(N)[nH+]c(N)n3)CC2)n[nH]1 ZINC000624084666 374104204 /nfs/dbraw/zinc/10/42/04/374104204.db2.gz FUQORSCUDMOVSJ-UHFFFAOYSA-N 1 2 290.335 -1.555 20 0 CAADLO Nc1nc(N)[nH+]c(NC[C@H]2CCCCS2(=O)=O)n1 ZINC000624097528 374105593 /nfs/dbraw/zinc/10/55/93/374105593.db2.gz YBMRXRFTMSYTHQ-ZCFIWIBFSA-N 1 2 272.334 -1.502 20 0 CAADLO Cn1nnnc1CN1CC[NH+](CC(=O)NC2CC2)CC1 ZINC000624184944 374107971 /nfs/dbraw/zinc/10/79/71/374107971.db2.gz JHPSXJOBWALYFJ-UHFFFAOYSA-N 1 2 279.348 -1.394 20 0 CAADLO C[C@@H](Nc1nc(N)nc(N)[nH+]1)C1(S(C)(=O)=O)CC1 ZINC000624213599 374108145 /nfs/dbraw/zinc/10/81/45/374108145.db2.gz QEUBHSRCWGIHHD-RXMQYKEDSA-N 1 2 272.334 -1.504 20 0 CAADLO C[C@@H](C(=O)NC1CC1)[NH+]1CCN(Cc2nnnn2C)CC1 ZINC000624186056 374108580 /nfs/dbraw/zinc/10/85/80/374108580.db2.gz FWQCJYJXOJNXDY-JTQLQIEISA-N 1 2 293.375 -1.005 20 0 CAADLO CC[C@@H](NC(C)=O)C(=O)N[C@H](CO)C[NH+]1CCOCC1 ZINC000632855235 374180310 /nfs/dbraw/zinc/18/03/10/374180310.db2.gz PLDBVRGJYHGWKX-NWDGAFQWSA-N 1 2 287.360 -1.290 20 0 CAADLO O=C(N[C@@H](CO)C[NH+]1CCCCC1)C1CS(=O)(=O)C1 ZINC000632998369 374181275 /nfs/dbraw/zinc/18/12/75/374181275.db2.gz NQSVOQHFUZAENM-LLVKDONJSA-N 1 2 290.385 -1.006 20 0 CAADLO C[NH+](C)C[C@@H](CO)NC(=O)C1CS(=O)(=O)C1 ZINC000633073989 374182524 /nfs/dbraw/zinc/18/25/24/374182524.db2.gz ZOWBQYKYXVCMMA-QMMMGPOBSA-N 1 2 250.320 -1.930 20 0 CAADLO CC(=O)NCCC[NH+]1CCN(S(=O)(=O)N(C)C)CC1 ZINC000164578031 374144625 /nfs/dbraw/zinc/14/46/25/374144625.db2.gz SSAXKNOHGGJQRG-UHFFFAOYSA-N 1 2 292.405 -1.063 20 0 CAADLO COCCOCCNS(=O)(=O)C[C@H]1C[N@H+](C)CCO1 ZINC000631796808 374148226 /nfs/dbraw/zinc/14/82/26/374148226.db2.gz BSEMAZLEGOHNEX-LLVKDONJSA-N 1 2 296.389 -1.101 20 0 CAADLO COCCOCCNS(=O)(=O)C[C@H]1C[N@@H+](C)CCO1 ZINC000631796808 374148232 /nfs/dbraw/zinc/14/82/32/374148232.db2.gz BSEMAZLEGOHNEX-LLVKDONJSA-N 1 2 296.389 -1.101 20 0 CAADLO CNC(=O)CN(C)S(=O)(=O)C[C@@H]1C[N@H+](C)CCO1 ZINC000631664563 374148429 /nfs/dbraw/zinc/14/84/29/374148429.db2.gz PNGNFPRZISUGFA-VIFPVBQESA-N 1 2 279.362 -1.675 20 0 CAADLO CNC(=O)CN(C)S(=O)(=O)C[C@@H]1C[N@@H+](C)CCO1 ZINC000631664563 374148435 /nfs/dbraw/zinc/14/84/35/374148435.db2.gz PNGNFPRZISUGFA-VIFPVBQESA-N 1 2 279.362 -1.675 20 0 CAADLO Cn1cnnc1S(=O)(=O)NCCn1cc[nH+]c1 ZINC000631665478 374148562 /nfs/dbraw/zinc/14/85/62/374148562.db2.gz RKDPFPUECZDPSC-UHFFFAOYSA-N 1 2 256.291 -1.010 20 0 CAADLO CN(C)C(=O)CN(C)S(=O)(=O)C[C@@H]1C[N@H+](C)CCO1 ZINC000631663913 374148601 /nfs/dbraw/zinc/14/86/01/374148601.db2.gz ZRYUSSQWIAPQEL-JTQLQIEISA-N 1 2 293.389 -1.333 20 0 CAADLO CN(C)C(=O)CN(C)S(=O)(=O)C[C@@H]1C[N@@H+](C)CCO1 ZINC000631663913 374148606 /nfs/dbraw/zinc/14/86/06/374148606.db2.gz ZRYUSSQWIAPQEL-JTQLQIEISA-N 1 2 293.389 -1.333 20 0 CAADLO CC(C)NC(=O)CNS(=O)(=O)C[C@@H]1C[N@H+](C)CCO1 ZINC000631680490 374148837 /nfs/dbraw/zinc/14/88/37/374148837.db2.gz OYOBMMHCVYVLEC-JTQLQIEISA-N 1 2 293.389 -1.239 20 0 CAADLO CC(C)NC(=O)CNS(=O)(=O)C[C@@H]1C[N@@H+](C)CCO1 ZINC000631680490 374148844 /nfs/dbraw/zinc/14/88/44/374148844.db2.gz OYOBMMHCVYVLEC-JTQLQIEISA-N 1 2 293.389 -1.239 20 0 CAADLO CCNC(=O)CN(C)S(=O)(=O)C[C@H]1C[N@H+](C)CCO1 ZINC000631770923 374149555 /nfs/dbraw/zinc/14/95/55/374149555.db2.gz AEOBIAYJFMNFAJ-SNVBAGLBSA-N 1 2 293.389 -1.285 20 0 CAADLO CCNC(=O)CN(C)S(=O)(=O)C[C@H]1C[N@@H+](C)CCO1 ZINC000631770923 374149563 /nfs/dbraw/zinc/14/95/63/374149563.db2.gz AEOBIAYJFMNFAJ-SNVBAGLBSA-N 1 2 293.389 -1.285 20 0 CAADLO CN(C)C(=O)CC[NH+]1CCN(C(=O)Cc2ncn[nH]2)CC1 ZINC000631807694 374149600 /nfs/dbraw/zinc/14/96/00/374149600.db2.gz NIKSSWGBBHFXIL-UHFFFAOYSA-N 1 2 294.359 -1.030 20 0 CAADLO CN(C)C(=O)CNS(=O)(=O)C[C@H]1C[N@H+](C)CCO1 ZINC000631669730 374149623 /nfs/dbraw/zinc/14/96/23/374149623.db2.gz NAAWPPDEKQIIAA-SECBINFHSA-N 1 2 279.362 -1.675 20 0 CAADLO CN(C)C(=O)CNS(=O)(=O)C[C@H]1C[N@@H+](C)CCO1 ZINC000631669730 374149626 /nfs/dbraw/zinc/14/96/26/374149626.db2.gz NAAWPPDEKQIIAA-SECBINFHSA-N 1 2 279.362 -1.675 20 0 CAADLO C[N@@H+]1CCO[C@H](CS(=O)(=O)N2CCNC(=O)C2)C1 ZINC000631650779 374149654 /nfs/dbraw/zinc/14/96/54/374149654.db2.gz GYHOBPRFAQCVJZ-VIFPVBQESA-N 1 2 277.346 -1.921 20 0 CAADLO C[N@H+]1CCO[C@H](CS(=O)(=O)N2CCNC(=O)C2)C1 ZINC000631650779 374149658 /nfs/dbraw/zinc/14/96/58/374149658.db2.gz GYHOBPRFAQCVJZ-VIFPVBQESA-N 1 2 277.346 -1.921 20 0 CAADLO C[C@H]1C(=O)NCCN1S(=O)(=O)C[C@@H]1C[N@H+](C)CCO1 ZINC000631900427 374151195 /nfs/dbraw/zinc/15/11/95/374151195.db2.gz SRTOBSFOWGRMMB-UWVGGRQHSA-N 1 2 291.373 -1.533 20 0 CAADLO C[C@H]1C(=O)NCCN1S(=O)(=O)C[C@@H]1C[N@@H+](C)CCO1 ZINC000631900427 374151201 /nfs/dbraw/zinc/15/12/01/374151201.db2.gz SRTOBSFOWGRMMB-UWVGGRQHSA-N 1 2 291.373 -1.533 20 0 CAADLO CN1C[C@H](NS(=O)(=O)C[C@@H]2C[N@H+](C)CCO2)CC1=O ZINC000631871012 374151416 /nfs/dbraw/zinc/15/14/16/374151416.db2.gz FZVHEDURZBCVCM-ZJUUUORDSA-N 1 2 291.373 -1.533 20 0 CAADLO CN1C[C@H](NS(=O)(=O)C[C@@H]2C[N@@H+](C)CCO2)CC1=O ZINC000631871012 374151423 /nfs/dbraw/zinc/15/14/23/374151423.db2.gz FZVHEDURZBCVCM-ZJUUUORDSA-N 1 2 291.373 -1.533 20 0 CAADLO CN(CCO)S(=O)(=O)C[C@H]1C[N@H+](C)CCO1 ZINC000631998818 374158139 /nfs/dbraw/zinc/15/81/39/374158139.db2.gz MPOHIXLDQKCLCY-SECBINFHSA-N 1 2 252.336 -1.429 20 0 CAADLO CN(CCO)S(=O)(=O)C[C@H]1C[N@@H+](C)CCO1 ZINC000631998818 374158147 /nfs/dbraw/zinc/15/81/47/374158147.db2.gz MPOHIXLDQKCLCY-SECBINFHSA-N 1 2 252.336 -1.429 20 0 CAADLO CN1CC[C@@H](NS(=O)(=O)C[C@H]2C[N@H+](C)CCO2)C1=O ZINC000631997534 374158407 /nfs/dbraw/zinc/15/84/07/374158407.db2.gz CNZPRPOUJNGOGA-NXEZZACHSA-N 1 2 291.373 -1.533 20 0 CAADLO CN1CC[C@@H](NS(=O)(=O)C[C@H]2C[N@@H+](C)CCO2)C1=O ZINC000631997534 374158411 /nfs/dbraw/zinc/15/84/11/374158411.db2.gz CNZPRPOUJNGOGA-NXEZZACHSA-N 1 2 291.373 -1.533 20 0 CAADLO CN1CC[C@@H](NS(=O)(=O)C[C@@H]2C[N@H+](C)CCO2)C1=O ZINC000631997536 374158598 /nfs/dbraw/zinc/15/85/98/374158598.db2.gz CNZPRPOUJNGOGA-VHSXEESVSA-N 1 2 291.373 -1.533 20 0 CAADLO CN1CC[C@@H](NS(=O)(=O)C[C@@H]2C[N@@H+](C)CCO2)C1=O ZINC000631997536 374158601 /nfs/dbraw/zinc/15/86/01/374158601.db2.gz CNZPRPOUJNGOGA-VHSXEESVSA-N 1 2 291.373 -1.533 20 0 CAADLO C[N@@H+]1CCO[C@H](CS(=O)(=O)NCCOCCO)C1 ZINC000631999366 374158635 /nfs/dbraw/zinc/15/86/35/374158635.db2.gz CCUUUJNIOUCNPA-JTQLQIEISA-N 1 2 282.362 -1.755 20 0 CAADLO C[N@H+]1CCO[C@H](CS(=O)(=O)NCCOCCO)C1 ZINC000631999366 374158638 /nfs/dbraw/zinc/15/86/38/374158638.db2.gz CCUUUJNIOUCNPA-JTQLQIEISA-N 1 2 282.362 -1.755 20 0 CAADLO CC[C@@H](CO)[NH+]1CCN(C(=O)C2CS(=O)(=O)C2)CC1 ZINC000631989265 374158926 /nfs/dbraw/zinc/15/89/26/374158926.db2.gz QHNQJSOPEZVISX-NSHDSACASA-N 1 2 290.385 -1.054 20 0 CAADLO C[C@H](O)CNS(=O)(=O)C[C@H]1C[N@H+](C)CCO1 ZINC000631999917 374159146 /nfs/dbraw/zinc/15/91/46/374159146.db2.gz WAAIZZSFNYZFKH-DTWKUNHWSA-N 1 2 252.336 -1.383 20 0 CAADLO C[C@H](O)CNS(=O)(=O)C[C@H]1C[N@@H+](C)CCO1 ZINC000631999917 374159156 /nfs/dbraw/zinc/15/91/56/374159156.db2.gz WAAIZZSFNYZFKH-DTWKUNHWSA-N 1 2 252.336 -1.383 20 0 CAADLO CN1CCN(S(=O)(=O)C[C@@H]2C[N@H+](C)CCO2)CC1=O ZINC000632017674 374160644 /nfs/dbraw/zinc/16/06/44/374160644.db2.gz GGOAOEZVFJXBMJ-JTQLQIEISA-N 1 2 291.373 -1.579 20 0 CAADLO CN1CCN(S(=O)(=O)C[C@@H]2C[N@@H+](C)CCO2)CC1=O ZINC000632017674 374160647 /nfs/dbraw/zinc/16/06/47/374160647.db2.gz GGOAOEZVFJXBMJ-JTQLQIEISA-N 1 2 291.373 -1.579 20 0 CAADLO COC[C@](C)(O)CNS(=O)(=O)C[C@@H]1C[N@H+](C)CCO1 ZINC000632011214 374160661 /nfs/dbraw/zinc/16/06/61/374160661.db2.gz PNNHVLPUCOXLRQ-WDEREUQCSA-N 1 2 296.389 -1.366 20 0 CAADLO COC[C@](C)(O)CNS(=O)(=O)C[C@@H]1C[N@@H+](C)CCO1 ZINC000632011214 374160668 /nfs/dbraw/zinc/16/06/68/374160668.db2.gz PNNHVLPUCOXLRQ-WDEREUQCSA-N 1 2 296.389 -1.366 20 0 CAADLO C[N@@H+]1CCO[C@@H](CS(=O)(=O)N2CC[C@H](O)C2)C1 ZINC000632002594 374160782 /nfs/dbraw/zinc/16/07/82/374160782.db2.gz ZDHPTNDRIUXRDJ-VHSXEESVSA-N 1 2 264.347 -1.287 20 0 CAADLO C[N@H+]1CCO[C@@H](CS(=O)(=O)N2CC[C@H](O)C2)C1 ZINC000632002594 374160792 /nfs/dbraw/zinc/16/07/92/374160792.db2.gz ZDHPTNDRIUXRDJ-VHSXEESVSA-N 1 2 264.347 -1.287 20 0 CAADLO COC[C@](C)(O)CNS(=O)(=O)C[C@H]1C[N@H+](C)CCO1 ZINC000632011211 374161709 /nfs/dbraw/zinc/16/17/09/374161709.db2.gz PNNHVLPUCOXLRQ-GHMZBOCLSA-N 1 2 296.389 -1.366 20 0 CAADLO COC[C@](C)(O)CNS(=O)(=O)C[C@H]1C[N@@H+](C)CCO1 ZINC000632011211 374161711 /nfs/dbraw/zinc/16/17/11/374161711.db2.gz PNNHVLPUCOXLRQ-GHMZBOCLSA-N 1 2 296.389 -1.366 20 0 CAADLO C[N@@H+]1CCO[C@H](CS(=O)(=O)N2CC[C@H](O)C2)C1 ZINC000632002593 374161728 /nfs/dbraw/zinc/16/17/28/374161728.db2.gz ZDHPTNDRIUXRDJ-UWVGGRQHSA-N 1 2 264.347 -1.287 20 0 CAADLO C[N@H+]1CCO[C@H](CS(=O)(=O)N2CC[C@H](O)C2)C1 ZINC000632002593 374161730 /nfs/dbraw/zinc/16/17/30/374161730.db2.gz ZDHPTNDRIUXRDJ-UWVGGRQHSA-N 1 2 264.347 -1.287 20 0 CAADLO CC[C@@H](NC(C)=O)C(=O)NCCC[N@@H+]1CCNC(=O)C1 ZINC000632075816 374161775 /nfs/dbraw/zinc/16/17/75/374161775.db2.gz VEODXJBVDKGBOA-LLVKDONJSA-N 1 2 284.360 -1.161 20 0 CAADLO CC[C@@H](NC(C)=O)C(=O)NCCC[N@H+]1CCNC(=O)C1 ZINC000632075816 374161781 /nfs/dbraw/zinc/16/17/81/374161781.db2.gz VEODXJBVDKGBOA-LLVKDONJSA-N 1 2 284.360 -1.161 20 0 CAADLO C[C@@H](CO)CNS(=O)(=O)C[C@H]1C[N@H+](C)CCO1 ZINC000632003952 374161900 /nfs/dbraw/zinc/16/19/00/374161900.db2.gz TVFCJKVCBBIWFN-NXEZZACHSA-N 1 2 266.363 -1.135 20 0 CAADLO C[C@@H](CO)CNS(=O)(=O)C[C@H]1C[N@@H+](C)CCO1 ZINC000632003952 374161909 /nfs/dbraw/zinc/16/19/09/374161909.db2.gz TVFCJKVCBBIWFN-NXEZZACHSA-N 1 2 266.363 -1.135 20 0 CAADLO C[C@H](CO)CNS(=O)(=O)C[C@H]1C[N@H+](C)CCO1 ZINC000632003954 374161940 /nfs/dbraw/zinc/16/19/40/374161940.db2.gz TVFCJKVCBBIWFN-VHSXEESVSA-N 1 2 266.363 -1.135 20 0 CAADLO C[C@H](CO)CNS(=O)(=O)C[C@H]1C[N@@H+](C)CCO1 ZINC000632003954 374161946 /nfs/dbraw/zinc/16/19/46/374161946.db2.gz TVFCJKVCBBIWFN-VHSXEESVSA-N 1 2 266.363 -1.135 20 0 CAADLO C[N@@H+]1CCO[C@H](CS(=O)(=O)N2CC[C@@H](CO)C2)C1 ZINC000632181430 374162848 /nfs/dbraw/zinc/16/28/48/374162848.db2.gz ZJWRBHNSYFZPAP-MNOVXSKESA-N 1 2 278.374 -1.039 20 0 CAADLO C[N@H+]1CCO[C@H](CS(=O)(=O)N2CC[C@@H](CO)C2)C1 ZINC000632181430 374162859 /nfs/dbraw/zinc/16/28/59/374162859.db2.gz ZJWRBHNSYFZPAP-MNOVXSKESA-N 1 2 278.374 -1.039 20 0 CAADLO CN([C@H]1CCNC1=O)S(=O)(=O)C[C@H]1C[N@H+](C)CCO1 ZINC000632152130 374162980 /nfs/dbraw/zinc/16/29/80/374162980.db2.gz BQSMQSSZQSTDBX-ZJUUUORDSA-N 1 2 291.373 -1.533 20 0 CAADLO CN([C@H]1CCNC1=O)S(=O)(=O)C[C@H]1C[N@@H+](C)CCO1 ZINC000632152130 374162988 /nfs/dbraw/zinc/16/29/88/374162988.db2.gz BQSMQSSZQSTDBX-ZJUUUORDSA-N 1 2 291.373 -1.533 20 0 CAADLO COC[C@H](CNS(=O)(=O)C[C@@H]1C[N@H+](C)CCO1)OC ZINC000632196512 374163503 /nfs/dbraw/zinc/16/35/03/374163503.db2.gz BDQHXAHCMSRKPW-QWRGUYRKSA-N 1 2 296.389 -1.102 20 0 CAADLO COC[C@H](CNS(=O)(=O)C[C@@H]1C[N@@H+](C)CCO1)OC ZINC000632196512 374163513 /nfs/dbraw/zinc/16/35/13/374163513.db2.gz BDQHXAHCMSRKPW-QWRGUYRKSA-N 1 2 296.389 -1.102 20 0 CAADLO C[C@@H]1CN(S(=O)(=O)C[C@H]2C[N@H+](C)CCO2)C[C@@H]1O ZINC000632168885 374163636 /nfs/dbraw/zinc/16/36/36/374163636.db2.gz COTVVFVKMHBDSF-MXWKQRLJSA-N 1 2 278.374 -1.041 20 0 CAADLO C[C@@H]1CN(S(=O)(=O)C[C@H]2C[N@@H+](C)CCO2)C[C@@H]1O ZINC000632168885 374163642 /nfs/dbraw/zinc/16/36/42/374163642.db2.gz COTVVFVKMHBDSF-MXWKQRLJSA-N 1 2 278.374 -1.041 20 0 CAADLO C[N@@H+]1CCO[C@@H](CS(=O)(=O)NC[C@]2(O)CCOC2)C1 ZINC000632142595 374163676 /nfs/dbraw/zinc/16/36/76/374163676.db2.gz IKQSBRDDLQCONL-GHMZBOCLSA-N 1 2 294.373 -1.612 20 0 CAADLO C[N@H+]1CCO[C@@H](CS(=O)(=O)NC[C@]2(O)CCOC2)C1 ZINC000632142595 374163680 /nfs/dbraw/zinc/16/36/80/374163680.db2.gz IKQSBRDDLQCONL-GHMZBOCLSA-N 1 2 294.373 -1.612 20 0 CAADLO C[C@@H](O)CN(C)S(=O)(=O)C[C@H]1C[N@H+](C)CCO1 ZINC000632180510 374163835 /nfs/dbraw/zinc/16/38/35/374163835.db2.gz AUIWZRCYIJRWGK-NXEZZACHSA-N 1 2 266.363 -1.041 20 0 CAADLO C[C@@H](O)CN(C)S(=O)(=O)C[C@H]1C[N@@H+](C)CCO1 ZINC000632180510 374163840 /nfs/dbraw/zinc/16/38/40/374163840.db2.gz AUIWZRCYIJRWGK-NXEZZACHSA-N 1 2 266.363 -1.041 20 0 CAADLO C[N@@H+]1CCO[C@H](CS(=O)(=O)N2CC[C@H](CO)C2)C1 ZINC000632181431 374164333 /nfs/dbraw/zinc/16/43/33/374164333.db2.gz ZJWRBHNSYFZPAP-QWRGUYRKSA-N 1 2 278.374 -1.039 20 0 CAADLO C[N@H+]1CCO[C@H](CS(=O)(=O)N2CC[C@H](CO)C2)C1 ZINC000632181431 374164346 /nfs/dbraw/zinc/16/43/46/374164346.db2.gz ZJWRBHNSYFZPAP-QWRGUYRKSA-N 1 2 278.374 -1.039 20 0 CAADLO CCN1CN(S(=O)(=O)C[C@H]2C[N@H+](C)CCO2)CC1=O ZINC000632272848 374165725 /nfs/dbraw/zinc/16/57/25/374165725.db2.gz ADOZGIBEEPUSNR-SNVBAGLBSA-N 1 2 291.373 -1.232 20 0 CAADLO CCN1CN(S(=O)(=O)C[C@H]2C[N@@H+](C)CCO2)CC1=O ZINC000632272848 374165730 /nfs/dbraw/zinc/16/57/30/374165730.db2.gz ADOZGIBEEPUSNR-SNVBAGLBSA-N 1 2 291.373 -1.232 20 0 CAADLO CC(=O)NC1CN(S(=O)(=O)C[C@H]2C[N@H+](C)CCO2)C1 ZINC000632263352 374165893 /nfs/dbraw/zinc/16/58/93/374165893.db2.gz VTXFZTOBNGJECM-LLVKDONJSA-N 1 2 291.373 -1.533 20 0 CAADLO CC(=O)NC1CN(S(=O)(=O)C[C@H]2C[N@@H+](C)CCO2)C1 ZINC000632263352 374165896 /nfs/dbraw/zinc/16/58/96/374165896.db2.gz VTXFZTOBNGJECM-LLVKDONJSA-N 1 2 291.373 -1.533 20 0 CAADLO CCN1CN(S(=O)(=O)C[C@@H]2C[N@H+](C)CCO2)CC1=O ZINC000632272845 374165939 /nfs/dbraw/zinc/16/59/39/374165939.db2.gz ADOZGIBEEPUSNR-JTQLQIEISA-N 1 2 291.373 -1.232 20 0 CAADLO CCN1CN(S(=O)(=O)C[C@@H]2C[N@@H+](C)CCO2)CC1=O ZINC000632272845 374165942 /nfs/dbraw/zinc/16/59/42/374165942.db2.gz ADOZGIBEEPUSNR-JTQLQIEISA-N 1 2 291.373 -1.232 20 0 CAADLO COCC[C@@H](CO)NS(=O)(=O)C[C@@H]1C[N@H+](C)CCO1 ZINC000632303791 374165998 /nfs/dbraw/zinc/16/59/98/374165998.db2.gz ZMLDOHNJNYKKEZ-QWRGUYRKSA-N 1 2 296.389 -1.366 20 0 CAADLO COCC[C@@H](CO)NS(=O)(=O)C[C@@H]1C[N@@H+](C)CCO1 ZINC000632303791 374166001 /nfs/dbraw/zinc/16/60/01/374166001.db2.gz ZMLDOHNJNYKKEZ-QWRGUYRKSA-N 1 2 296.389 -1.366 20 0 CAADLO CN(CCCO)S(=O)(=O)C[C@@H]1C[N@H+](C)CCO1 ZINC000632305398 374166106 /nfs/dbraw/zinc/16/61/06/374166106.db2.gz SSLHUYQLPMDSRT-JTQLQIEISA-N 1 2 266.363 -1.039 20 0 CAADLO CN(CCCO)S(=O)(=O)C[C@@H]1C[N@@H+](C)CCO1 ZINC000632305398 374166112 /nfs/dbraw/zinc/16/61/12/374166112.db2.gz SSLHUYQLPMDSRT-JTQLQIEISA-N 1 2 266.363 -1.039 20 0 CAADLO COCC[C@@H](CO)NS(=O)(=O)C[C@H]1C[N@H+](C)CCO1 ZINC000632303792 374166721 /nfs/dbraw/zinc/16/67/21/374166721.db2.gz ZMLDOHNJNYKKEZ-WDEREUQCSA-N 1 2 296.389 -1.366 20 0 CAADLO COCC[C@@H](CO)NS(=O)(=O)C[C@H]1C[N@@H+](C)CCO1 ZINC000632303792 374166731 /nfs/dbraw/zinc/16/67/31/374166731.db2.gz ZMLDOHNJNYKKEZ-WDEREUQCSA-N 1 2 296.389 -1.366 20 0 CAADLO C[N@@H+]1CCO[C@H](CS(=O)(=O)N2CC(C)(O)C2)C1 ZINC000632291054 374166836 /nfs/dbraw/zinc/16/68/36/374166836.db2.gz XASYRWHNFOWCGP-VIFPVBQESA-N 1 2 264.347 -1.287 20 0 CAADLO C[N@H+]1CCO[C@H](CS(=O)(=O)N2CC(C)(O)C2)C1 ZINC000632291054 374166843 /nfs/dbraw/zinc/16/68/43/374166843.db2.gz XASYRWHNFOWCGP-VIFPVBQESA-N 1 2 264.347 -1.287 20 0 CAADLO O=S(=O)(C1COC1)N1CC(C[NH+]2CCOCC2)C1 ZINC000632355204 374167610 /nfs/dbraw/zinc/16/76/10/374167610.db2.gz AGNFPNGLCZOALA-UHFFFAOYSA-N 1 2 276.358 -1.021 20 0 CAADLO C[C@@H](O)CN(CCO)S(=O)(=O)C[C@@H]1C[N@H+](C)CCO1 ZINC000632342549 374167776 /nfs/dbraw/zinc/16/77/76/374167776.db2.gz PFYHLDKMKIIBKT-MNOVXSKESA-N 1 2 296.389 -1.678 20 0 CAADLO C[C@@H](O)CN(CCO)S(=O)(=O)C[C@@H]1C[N@@H+](C)CCO1 ZINC000632342549 374167787 /nfs/dbraw/zinc/16/77/87/374167787.db2.gz PFYHLDKMKIIBKT-MNOVXSKESA-N 1 2 296.389 -1.678 20 0 CAADLO CCCN(CC(N)=O)S(=O)(=O)C[C@@H]1C[N@H+](C)CCO1 ZINC000632362442 374167942 /nfs/dbraw/zinc/16/79/42/374167942.db2.gz GAZACZYCWPAXGO-JTQLQIEISA-N 1 2 293.389 -1.156 20 0 CAADLO CCCN(CC(N)=O)S(=O)(=O)C[C@@H]1C[N@@H+](C)CCO1 ZINC000632362442 374167945 /nfs/dbraw/zinc/16/79/45/374167945.db2.gz GAZACZYCWPAXGO-JTQLQIEISA-N 1 2 293.389 -1.156 20 0 CAADLO C[N@@H+]1CCO[C@@H](CS(=O)(=O)NC2COCCOC2)C1 ZINC000632360478 374168069 /nfs/dbraw/zinc/16/80/69/374168069.db2.gz XQVHWBCGUBAPIM-LLVKDONJSA-N 1 2 294.373 -1.348 20 0 CAADLO C[N@H+]1CCO[C@@H](CS(=O)(=O)NC2COCCOC2)C1 ZINC000632360478 374168072 /nfs/dbraw/zinc/16/80/72/374168072.db2.gz XQVHWBCGUBAPIM-LLVKDONJSA-N 1 2 294.373 -1.348 20 0 CAADLO CCCN(CC(N)=O)S(=O)(=O)C[C@H]1C[N@H+](C)CCO1 ZINC000632362443 374168189 /nfs/dbraw/zinc/16/81/89/374168189.db2.gz GAZACZYCWPAXGO-SNVBAGLBSA-N 1 2 293.389 -1.156 20 0 CAADLO CCCN(CC(N)=O)S(=O)(=O)C[C@H]1C[N@@H+](C)CCO1 ZINC000632362443 374168193 /nfs/dbraw/zinc/16/81/93/374168193.db2.gz GAZACZYCWPAXGO-SNVBAGLBSA-N 1 2 293.389 -1.156 20 0 CAADLO C[N@@H+]1CCO[C@H](CS(=O)(=O)NC2COCCOC2)C1 ZINC000632360479 374168304 /nfs/dbraw/zinc/16/83/04/374168304.db2.gz XQVHWBCGUBAPIM-NSHDSACASA-N 1 2 294.373 -1.348 20 0 CAADLO C[N@H+]1CCO[C@H](CS(=O)(=O)NC2COCCOC2)C1 ZINC000632360479 374168305 /nfs/dbraw/zinc/16/83/05/374168305.db2.gz XQVHWBCGUBAPIM-NSHDSACASA-N 1 2 294.373 -1.348 20 0 CAADLO C[C@@H](O)CN(CCO)S(=O)(=O)C[C@H]1C[N@H+](C)CCO1 ZINC000632342548 374168352 /nfs/dbraw/zinc/16/83/52/374168352.db2.gz PFYHLDKMKIIBKT-GHMZBOCLSA-N 1 2 296.389 -1.678 20 0 CAADLO C[C@@H](O)CN(CCO)S(=O)(=O)C[C@H]1C[N@@H+](C)CCO1 ZINC000632342548 374168356 /nfs/dbraw/zinc/16/83/56/374168356.db2.gz PFYHLDKMKIIBKT-GHMZBOCLSA-N 1 2 296.389 -1.678 20 0 CAADLO C[N@@H+]1CCO[C@H](CS(=O)(=O)N[C@H]2C[C@@H](O)C2)C1 ZINC000632430953 374169276 /nfs/dbraw/zinc/16/92/76/374169276.db2.gz LGLCPVYKXJATGF-AEJSXWLSSA-N 1 2 264.347 -1.240 20 0 CAADLO C[N@H+]1CCO[C@H](CS(=O)(=O)N[C@H]2C[C@@H](O)C2)C1 ZINC000632430953 374169286 /nfs/dbraw/zinc/16/92/86/374169286.db2.gz LGLCPVYKXJATGF-AEJSXWLSSA-N 1 2 264.347 -1.240 20 0 CAADLO CNC(=O)C[C@@H](C)NS(=O)(=O)C[C@H]1C[N@H+](C)CCO1 ZINC000632418288 374169417 /nfs/dbraw/zinc/16/94/17/374169417.db2.gz CIFPQLQSVNIVGU-NXEZZACHSA-N 1 2 293.389 -1.239 20 0 CAADLO CNC(=O)C[C@@H](C)NS(=O)(=O)C[C@H]1C[N@@H+](C)CCO1 ZINC000632418288 374169432 /nfs/dbraw/zinc/16/94/32/374169432.db2.gz CIFPQLQSVNIVGU-NXEZZACHSA-N 1 2 293.389 -1.239 20 0 CAADLO CNC(=O)C[C@@H](C)NS(=O)(=O)C[C@@H]1C[N@H+](C)CCO1 ZINC000632418291 374169670 /nfs/dbraw/zinc/16/96/70/374169670.db2.gz CIFPQLQSVNIVGU-ZJUUUORDSA-N 1 2 293.389 -1.239 20 0 CAADLO CNC(=O)C[C@@H](C)NS(=O)(=O)C[C@@H]1C[N@@H+](C)CCO1 ZINC000632418291 374169681 /nfs/dbraw/zinc/16/96/81/374169681.db2.gz CIFPQLQSVNIVGU-ZJUUUORDSA-N 1 2 293.389 -1.239 20 0 CAADLO CO[C@@H]1COC[C@@H]1NS(=O)(=O)C[C@@H]1C[N@@H+](C)CCO1 ZINC000632443698 374169845 /nfs/dbraw/zinc/16/98/45/374169845.db2.gz XYWTYOWHHIRMQI-GARJFASQSA-N 1 2 294.373 -1.350 20 0 CAADLO COCC(COC)NS(=O)(=O)C[C@H]1C[N@@H+](C)CCO1 ZINC000632413544 374170169 /nfs/dbraw/zinc/17/01/69/374170169.db2.gz GFEWIWQOGVVPFN-LLVKDONJSA-N 1 2 296.389 -1.102 20 0 CAADLO C[N@@H+]1CCO[C@H](CS(=O)(=O)N2CCC[C@@H]2C(N)=O)C1 ZINC000632414762 374170220 /nfs/dbraw/zinc/17/02/20/374170220.db2.gz ILSHAVMVYJFTQQ-VHSXEESVSA-N 1 2 291.373 -1.404 20 0 CAADLO C[N@H+]1CCO[C@H](CS(=O)(=O)N2CCC[C@@H]2C(N)=O)C1 ZINC000632414762 374170223 /nfs/dbraw/zinc/17/02/23/374170223.db2.gz ILSHAVMVYJFTQQ-VHSXEESVSA-N 1 2 291.373 -1.404 20 0 CAADLO COCC1(O)CN(S(=O)(=O)C[C@H]2C[N@H+](C)CCO2)C1 ZINC000632392471 374170337 /nfs/dbraw/zinc/17/03/37/374170337.db2.gz MGVUNTZXJRVPGL-SNVBAGLBSA-N 1 2 294.373 -1.660 20 0 CAADLO COCC1(O)CN(S(=O)(=O)C[C@H]2C[N@@H+](C)CCO2)C1 ZINC000632392471 374170339 /nfs/dbraw/zinc/17/03/39/374170339.db2.gz MGVUNTZXJRVPGL-SNVBAGLBSA-N 1 2 294.373 -1.660 20 0 CAADLO CO[C@@H]1COC[C@H]1NS(=O)(=O)C[C@@H]1C[N@H+](C)CCO1 ZINC000632500195 374171351 /nfs/dbraw/zinc/17/13/51/374171351.db2.gz XYWTYOWHHIRMQI-HBNTYKKESA-N 1 2 294.373 -1.350 20 0 CAADLO CO[C@@H]1COC[C@H]1NS(=O)(=O)C[C@@H]1C[N@@H+](C)CCO1 ZINC000632500195 374171360 /nfs/dbraw/zinc/17/13/60/374171360.db2.gz XYWTYOWHHIRMQI-HBNTYKKESA-N 1 2 294.373 -1.350 20 0 CAADLO CO[C@](C)(CO)CNS(=O)(=O)C[C@@H]1C[N@H+](C)CCO1 ZINC000632536960 374171630 /nfs/dbraw/zinc/17/16/30/374171630.db2.gz VXKMRYRDBMMNPH-QWRGUYRKSA-N 1 2 296.389 -1.366 20 0 CAADLO CO[C@](C)(CO)CNS(=O)(=O)C[C@@H]1C[N@@H+](C)CCO1 ZINC000632536960 374171637 /nfs/dbraw/zinc/17/16/37/374171637.db2.gz VXKMRYRDBMMNPH-QWRGUYRKSA-N 1 2 296.389 -1.366 20 0 CAADLO CO[C@@H]1COC[C@H]1NS(=O)(=O)C[C@H]1C[N@H+](C)CCO1 ZINC000632500194 374171782 /nfs/dbraw/zinc/17/17/82/374171782.db2.gz XYWTYOWHHIRMQI-GMTAPVOTSA-N 1 2 294.373 -1.350 20 0 CAADLO CO[C@@H]1COC[C@H]1NS(=O)(=O)C[C@H]1C[N@@H+](C)CCO1 ZINC000632500194 374171792 /nfs/dbraw/zinc/17/17/92/374171792.db2.gz XYWTYOWHHIRMQI-GMTAPVOTSA-N 1 2 294.373 -1.350 20 0 CAADLO C[C@@H]1C(=O)NCCN1C(=O)C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000632476585 374172276 /nfs/dbraw/zinc/17/22/76/374172276.db2.gz GHMTZWHNVQVWHO-MRVPVSSYSA-N 1 2 279.300 -1.285 20 0 CAADLO C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[N@@H+]1CCNC(=O)CC1 ZINC000068334271 374172399 /nfs/dbraw/zinc/17/23/99/374172399.db2.gz AJPNJQRPODQRMO-GHMZBOCLSA-N 1 2 296.371 -1.079 20 0 CAADLO C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[N@H+]1CCNC(=O)CC1 ZINC000068334271 374172402 /nfs/dbraw/zinc/17/24/02/374172402.db2.gz AJPNJQRPODQRMO-GHMZBOCLSA-N 1 2 296.371 -1.079 20 0 CAADLO C[C@@H]1C(=O)N(C)CN1S(=O)(=O)C[C@H]1C[N@H+](C)CCO1 ZINC000632504029 374172500 /nfs/dbraw/zinc/17/25/00/374172500.db2.gz ABNJKYMYRLXYIZ-NXEZZACHSA-N 1 2 291.373 -1.233 20 0 CAADLO C[C@@H]1C(=O)N(C)CN1S(=O)(=O)C[C@H]1C[N@@H+](C)CCO1 ZINC000632504029 374172505 /nfs/dbraw/zinc/17/25/05/374172505.db2.gz ABNJKYMYRLXYIZ-NXEZZACHSA-N 1 2 291.373 -1.233 20 0 CAADLO C[N@@H+]1CCO[C@@H](CS(=O)(=O)NC[C@@H]2CCC(=O)N2)C1 ZINC000632563516 374173482 /nfs/dbraw/zinc/17/34/82/374173482.db2.gz VJPAVPLFLHIPDJ-VHSXEESVSA-N 1 2 291.373 -1.485 20 0 CAADLO C[N@H+]1CCO[C@@H](CS(=O)(=O)NC[C@@H]2CCC(=O)N2)C1 ZINC000632563516 374173490 /nfs/dbraw/zinc/17/34/90/374173490.db2.gz VJPAVPLFLHIPDJ-VHSXEESVSA-N 1 2 291.373 -1.485 20 0 CAADLO C[C@H](O)C[N@@H+]1CCN(C(=O)C2CS(=O)(=O)C2)[C@@H](C)C1 ZINC000632565846 374173529 /nfs/dbraw/zinc/17/35/29/374173529.db2.gz RKHOYWIZGUNCJI-UWVGGRQHSA-N 1 2 290.385 -1.056 20 0 CAADLO C[C@H](O)C[N@H+]1CCN(C(=O)C2CS(=O)(=O)C2)[C@@H](C)C1 ZINC000632565846 374173535 /nfs/dbraw/zinc/17/35/35/374173535.db2.gz RKHOYWIZGUNCJI-UWVGGRQHSA-N 1 2 290.385 -1.056 20 0 CAADLO C[N@@H+]1CCO[C@H](CS(=O)(=O)N2CCC[C@H]2C(N)=O)C1 ZINC000632595452 374173602 /nfs/dbraw/zinc/17/36/02/374173602.db2.gz ILSHAVMVYJFTQQ-UWVGGRQHSA-N 1 2 291.373 -1.404 20 0 CAADLO C[N@H+]1CCO[C@H](CS(=O)(=O)N2CCC[C@H]2C(N)=O)C1 ZINC000632595452 374173610 /nfs/dbraw/zinc/17/36/10/374173610.db2.gz ILSHAVMVYJFTQQ-UWVGGRQHSA-N 1 2 291.373 -1.404 20 0 CAADLO CO[C@H](C)CS(=O)(=O)N1CC[N@H+](C)C[C@H]1CO ZINC000632578185 374173701 /nfs/dbraw/zinc/17/37/01/374173701.db2.gz PFEHUSRIZRYIRP-ZJUUUORDSA-N 1 2 266.363 -1.041 20 0 CAADLO CO[C@H](C)CS(=O)(=O)N1CC[N@@H+](C)C[C@H]1CO ZINC000632578185 374173702 /nfs/dbraw/zinc/17/37/02/374173702.db2.gz PFEHUSRIZRYIRP-ZJUUUORDSA-N 1 2 266.363 -1.041 20 0 CAADLO C[N@@H+]1CCN(S(=O)(=O)[C@@H]2CCOC2)[C@H](CO)C1 ZINC000632578120 374174180 /nfs/dbraw/zinc/17/41/80/374174180.db2.gz NQAARCWEDHGJJO-VHSXEESVSA-N 1 2 264.347 -1.287 20 0 CAADLO C[N@H+]1CCN(S(=O)(=O)[C@@H]2CCOC2)[C@H](CO)C1 ZINC000632578120 374174185 /nfs/dbraw/zinc/17/41/85/374174185.db2.gz NQAARCWEDHGJJO-VHSXEESVSA-N 1 2 264.347 -1.287 20 0 CAADLO COCCS(=O)(=O)N1CC[N@H+](C)C[C@@H]1CO ZINC000632577447 374174294 /nfs/dbraw/zinc/17/42/94/374174294.db2.gz BONFCBUXFZYLSZ-SECBINFHSA-N 1 2 252.336 -1.429 20 0 CAADLO COCCS(=O)(=O)N1CC[N@@H+](C)C[C@@H]1CO ZINC000632577447 374174297 /nfs/dbraw/zinc/17/42/97/374174297.db2.gz BONFCBUXFZYLSZ-SECBINFHSA-N 1 2 252.336 -1.429 20 0 CAADLO C[N@@H+]1CCN(S(=O)(=O)N2CCOCC2)[C@H](CO)C1 ZINC000632577023 374174306 /nfs/dbraw/zinc/17/43/06/374174306.db2.gz IWRIFHVOIPNCPR-JTQLQIEISA-N 1 2 279.362 -1.828 20 0 CAADLO C[N@H+]1CCN(S(=O)(=O)N2CCOCC2)[C@H](CO)C1 ZINC000632577023 374174308 /nfs/dbraw/zinc/17/43/08/374174308.db2.gz IWRIFHVOIPNCPR-JTQLQIEISA-N 1 2 279.362 -1.828 20 0 CAADLO C[C@@H](C(=O)N(C)C)S(=O)(=O)N1CC[N@H+](C)C[C@@H]1CO ZINC000632578449 374174385 /nfs/dbraw/zinc/17/43/85/374174385.db2.gz WBIJMZWOMPYEAI-VHSXEESVSA-N 1 2 293.389 -1.599 20 0 CAADLO C[C@@H](C(=O)N(C)C)S(=O)(=O)N1CC[N@@H+](C)C[C@@H]1CO ZINC000632578449 374174386 /nfs/dbraw/zinc/17/43/86/374174386.db2.gz WBIJMZWOMPYEAI-VHSXEESVSA-N 1 2 293.389 -1.599 20 0 CAADLO CC(C)NS(=O)(=O)N1CC[N@H+](C)C[C@@H]1CO ZINC000632577833 374174487 /nfs/dbraw/zinc/17/44/87/374174487.db2.gz HMDKYAHVUYQIIU-SECBINFHSA-N 1 2 251.352 -1.163 20 0 CAADLO CC(C)NS(=O)(=O)N1CC[N@@H+](C)C[C@@H]1CO ZINC000632577833 374174490 /nfs/dbraw/zinc/17/44/90/374174490.db2.gz HMDKYAHVUYQIIU-SECBINFHSA-N 1 2 251.352 -1.163 20 0 CAADLO C[N@@H+]1CCO[C@H](CS(=O)(=O)N2C[C@H](O)[C@@H](O)C2)C1 ZINC000632591814 374174511 /nfs/dbraw/zinc/17/45/11/374174511.db2.gz IKOGTQFEQDJVSH-GUBZILKMSA-N 1 2 280.346 -2.316 20 0 CAADLO C[N@H+]1CCO[C@H](CS(=O)(=O)N2C[C@H](O)[C@@H](O)C2)C1 ZINC000632591814 374174517 /nfs/dbraw/zinc/17/45/17/374174517.db2.gz IKOGTQFEQDJVSH-GUBZILKMSA-N 1 2 280.346 -2.316 20 0 CAADLO C[C@@H]1CN(C(=O)C(=O)N(C)Cc2[nH]cc[nH+]2)C[C@@H](CO)O1 ZINC000632617515 374176318 /nfs/dbraw/zinc/17/63/18/374176318.db2.gz YERTWJJSQRPRKY-ZJUUUORDSA-N 1 2 296.327 -1.024 20 0 CAADLO CO[C@@H]1CN(C(=O)C(=O)N2CC[NH+](C)CC2)[C@@](C)(CO)C1 ZINC000632719866 374177500 /nfs/dbraw/zinc/17/75/00/374177500.db2.gz MUXHDQZOBDEIFR-SMDDNHRTSA-N 1 2 299.371 -1.241 20 0 CAADLO C[C@H]1CN(C(=O)C(=O)N(C)Cc2[nH]cc[nH+]2)CC(=O)N1 ZINC000632753554 374178515 /nfs/dbraw/zinc/17/85/15/374178515.db2.gz HZUOLJCVWZUVON-QMMMGPOBSA-N 1 2 279.300 -1.285 20 0 CAADLO CN(C[C@H]1C[N@H+](C)CCO1)C(=O)C1(S(N)(=O)=O)CC1 ZINC000633918818 374193993 /nfs/dbraw/zinc/19/39/93/374193993.db2.gz VZGVGRPPDPYECG-SECBINFHSA-N 1 2 291.373 -1.404 20 0 CAADLO CN(C[C@H]1C[N@@H+](C)CCO1)C(=O)C1(S(N)(=O)=O)CC1 ZINC000633918818 374194001 /nfs/dbraw/zinc/19/40/01/374194001.db2.gz VZGVGRPPDPYECG-SECBINFHSA-N 1 2 291.373 -1.404 20 0 CAADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)[C@@]1(N)CC1(F)F ZINC000634276698 374198000 /nfs/dbraw/zinc/19/80/00/374198000.db2.gz VVUJJYUSBKDBQH-KOLCDFICSA-N 1 2 293.314 -1.126 20 0 CAADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@@]1(N)CC1(F)F ZINC000634276700 374198015 /nfs/dbraw/zinc/19/80/15/374198015.db2.gz VVUJJYUSBKDBQH-ONGXEEELSA-N 1 2 293.314 -1.126 20 0 CAADLO CS(=O)(=O)N1CCN(CC[NH+]2CCOCC2)CC1 ZINC000071072883 374198395 /nfs/dbraw/zinc/19/83/95/374198395.db2.gz JMYUFYQHGYETPT-UHFFFAOYSA-N 1 2 277.390 -1.104 20 0 CAADLO C[C@@H]1CN(C(=O)C2CS(=O)(=O)C2)C[C@H](C)[N@H+]1CCO ZINC000633317960 374188709 /nfs/dbraw/zinc/18/87/09/374188709.db2.gz BNJKDHJBQHXUBV-AOOOYVTPSA-N 1 2 290.385 -1.056 20 0 CAADLO C[C@@H]1CN(C(=O)C2CS(=O)(=O)C2)C[C@H](C)[N@@H+]1CCO ZINC000633317960 374188716 /nfs/dbraw/zinc/18/87/16/374188716.db2.gz BNJKDHJBQHXUBV-AOOOYVTPSA-N 1 2 290.385 -1.056 20 0 CAADLO C[C@@H]1CN(C(=O)C2CS(=O)(=O)C2)[C@@H](C)C[N@@H+]1CCO ZINC000633443159 374188793 /nfs/dbraw/zinc/18/87/93/374188793.db2.gz GWCLKLLURIXICQ-ZJUUUORDSA-N 1 2 290.385 -1.056 20 0 CAADLO C[C@@H]1CN(C(=O)C2CS(=O)(=O)C2)[C@@H](C)C[N@H+]1CCO ZINC000633443159 374188799 /nfs/dbraw/zinc/18/87/99/374188799.db2.gz GWCLKLLURIXICQ-ZJUUUORDSA-N 1 2 290.385 -1.056 20 0 CAADLO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)C1CS(=O)(=O)C1 ZINC000633443157 374189026 /nfs/dbraw/zinc/18/90/26/374189026.db2.gz GWCLKLLURIXICQ-UWVGGRQHSA-N 1 2 290.385 -1.056 20 0 CAADLO C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)C1CS(=O)(=O)C1 ZINC000633443157 374189028 /nfs/dbraw/zinc/18/90/28/374189028.db2.gz GWCLKLLURIXICQ-UWVGGRQHSA-N 1 2 290.385 -1.056 20 0 CAADLO C[C@H]1C[N@H+](CCO)CCN1C(=O)Cc1ncn[nH]1 ZINC000633369412 374189176 /nfs/dbraw/zinc/18/91/76/374189176.db2.gz QKDPHMWEHRHKHY-VIFPVBQESA-N 1 2 253.306 -1.128 20 0 CAADLO C[C@H]1C[N@@H+](CCO)CCN1C(=O)Cc1ncn[nH]1 ZINC000633369412 374189177 /nfs/dbraw/zinc/18/91/77/374189177.db2.gz QKDPHMWEHRHKHY-VIFPVBQESA-N 1 2 253.306 -1.128 20 0 CAADLO CNS(=O)(=O)N1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC000574643899 335036636 /nfs/dbraw/zinc/03/66/36/335036636.db2.gz CAPQKHOOECPJKJ-UHFFFAOYSA-N 1 2 287.345 -1.509 20 0 CAADLO C[C@@H]1C(=O)NCCN1C(=O)C(=O)N1CC[NH+](C)CC1 ZINC000410432645 296260849 /nfs/dbraw/zinc/26/08/49/296260849.db2.gz FVWDAJAGRXRUAA-SECBINFHSA-N 1 2 268.317 -1.893 20 0 CAADLO CN(CC(=O)N[C@@H]1C[N@H+](CCF)C[C@H]1O)S(C)(=O)=O ZINC001193465439 781969194 /nfs/dbraw/zinc/96/91/94/781969194.db2.gz UHTXIQZJHFECFU-RKDXNWHRSA-N 1 2 297.352 -1.991 20 0 CAADLO CN(CC(=O)N[C@@H]1C[N@@H+](CCF)C[C@H]1O)S(C)(=O)=O ZINC001193465439 781969201 /nfs/dbraw/zinc/96/92/01/781969201.db2.gz UHTXIQZJHFECFU-RKDXNWHRSA-N 1 2 297.352 -1.991 20 0 CAADLO CNC(=O)NCC(=O)N[C@@H]1C[N@H+](C/C=C/Cl)C[C@H]1O ZINC001193544107 781971171 /nfs/dbraw/zinc/97/11/71/781971171.db2.gz GWYTWEOODZPSFH-KHVQUVQLSA-N 1 2 290.751 -1.171 20 0 CAADLO CNC(=O)NCC(=O)N[C@@H]1C[N@@H+](C/C=C/Cl)C[C@H]1O ZINC001193544107 781971177 /nfs/dbraw/zinc/97/11/77/781971177.db2.gz GWYTWEOODZPSFH-KHVQUVQLSA-N 1 2 290.751 -1.171 20 0 CAADLO COCCC(=O)N1CC[NH+]([C@H]2COC[C@H]2O)CC1 ZINC000361376176 284845052 /nfs/dbraw/zinc/84/50/52/284845052.db2.gz FYOODBCQCXEBKS-WDEREUQCSA-N 1 2 258.318 -1.073 20 0 CAADLO CCn1cc(N2C(=O)C[C@H]([NH2+]CC(N)=O)C2=O)cn1 ZINC000574766350 335046006 /nfs/dbraw/zinc/04/60/06/335046006.db2.gz IBFMDCFVZLKEKO-QMMMGPOBSA-N 1 2 265.273 -1.390 20 0 CAADLO CNC(=O)NCC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(N)=O)C[C@H]1O ZINC001193536055 781971799 /nfs/dbraw/zinc/97/17/99/781971799.db2.gz RHDUHRUVNRMEDW-BWZBUEFSSA-N 1 2 287.320 -3.050 20 0 CAADLO CNC(=O)NCC(=O)N[C@@H]1C[N@H+]([C@H](C)C(N)=O)C[C@H]1O ZINC001193536055 781971806 /nfs/dbraw/zinc/97/18/06/781971806.db2.gz RHDUHRUVNRMEDW-BWZBUEFSSA-N 1 2 287.320 -3.050 20 0 CAADLO CC(C)Nc1nc(N[C@@H](CO)C(C)C)nc(NCCO)[nH+]1 ZINC000342589037 252125695 /nfs/dbraw/zinc/12/56/95/252125695.db2.gz YDIBJZWESABNQR-JTQLQIEISA-N 1 2 298.391 -1.209 20 0 CAADLO CC(C)Nc1nc(NCCO)[nH+]c(N[C@@H](CO)C(C)C)n1 ZINC000342589037 252125698 /nfs/dbraw/zinc/12/56/98/252125698.db2.gz YDIBJZWESABNQR-JTQLQIEISA-N 1 2 298.391 -1.209 20 0 CAADLO CC(C)Nc1nc(NCCO)nc(N[C@@H](CO)C(C)C)[nH+]1 ZINC000342589037 252125701 /nfs/dbraw/zinc/12/57/01/252125701.db2.gz YDIBJZWESABNQR-JTQLQIEISA-N 1 2 298.391 -1.209 20 0 CAADLO CC[C@H](C)[C@H](NC(=O)C[NH+]1C[C@H](O)[C@@H](O)C1)C(=O)OC ZINC000300189968 252087646 /nfs/dbraw/zinc/08/76/46/252087646.db2.gz LNJLIBZADCBDBU-GMOBBJLQSA-N 1 2 288.344 -1.272 20 0 CAADLO COC(=O)[C@H](CC(C)C)NC(=O)C[NH+]1C[C@@H](O)[C@H](O)C1 ZINC000300189175 252088055 /nfs/dbraw/zinc/08/80/55/252088055.db2.gz HRIHQPKLBHTZBU-HBNTYKKESA-N 1 2 288.344 -1.272 20 0 CAADLO COC[C@@H](C)Nc1nc(NCCO)[nH+]c(NC(C)C)n1 ZINC000342546976 252125750 /nfs/dbraw/zinc/12/57/50/252125750.db2.gz PTIQRLDERPICMA-SECBINFHSA-N 1 2 284.364 -1.191 20 0 CAADLO COC[C@@H](C)Nc1nc(NC(C)C)nc(NCCO)[nH+]1 ZINC000342546976 252125755 /nfs/dbraw/zinc/12/57/55/252125755.db2.gz PTIQRLDERPICMA-SECBINFHSA-N 1 2 284.364 -1.191 20 0 CAADLO COC[C@@H](C)Nc1nc(NCCO)nc(NC(C)C)[nH+]1 ZINC000342546976 252125759 /nfs/dbraw/zinc/12/57/59/252125759.db2.gz PTIQRLDERPICMA-SECBINFHSA-N 1 2 284.364 -1.191 20 0 CAADLO O=C(C[N@@H+]1C[C@@H]2COC[C@H](C1)O2)N1CCNC1=O ZINC000328736296 252091187 /nfs/dbraw/zinc/09/11/87/252091187.db2.gz JOZJNSRQGFLWRR-DTORHVGOSA-N 1 2 255.274 -1.158 20 0 CAADLO O=C(C[N@H+]1C[C@@H]2COC[C@H](C1)O2)N1CCNC1=O ZINC000328736296 252091190 /nfs/dbraw/zinc/09/11/90/252091190.db2.gz JOZJNSRQGFLWRR-DTORHVGOSA-N 1 2 255.274 -1.158 20 0 CAADLO O=C1CCCN1CC[N@@H+]1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC000328684335 252092220 /nfs/dbraw/zinc/09/22/20/252092220.db2.gz WQABYQKMGHJSJC-JTQLQIEISA-N 1 2 280.328 -1.749 20 0 CAADLO O=C1CCCN1CC[N@H+]1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC000328684335 252092225 /nfs/dbraw/zinc/09/22/25/252092225.db2.gz WQABYQKMGHJSJC-JTQLQIEISA-N 1 2 280.328 -1.749 20 0 CAADLO Cn1cc[nH+]c1CN1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC000328609168 252092277 /nfs/dbraw/zinc/09/22/77/252092277.db2.gz MMNHLYJASIXHKN-VIFPVBQESA-N 1 2 263.301 -1.437 20 0 CAADLO Cc1cnn(CC[N@@H+]2CCN3C(=O)C(=O)NC[C@@H]3C2)c1 ZINC000328641217 252092449 /nfs/dbraw/zinc/09/24/49/252092449.db2.gz FLAXHDJCRKGXJS-LLVKDONJSA-N 1 2 277.328 -1.166 20 0 CAADLO Cc1cnn(CC[N@H+]2CCN3C(=O)C(=O)NC[C@@H]3C2)c1 ZINC000328641217 252092453 /nfs/dbraw/zinc/09/24/53/252092453.db2.gz FLAXHDJCRKGXJS-LLVKDONJSA-N 1 2 277.328 -1.166 20 0 CAADLO COC(=O)[C@@H]1C[C@H](O)CN1C[C@@H](O)C[NH+]1CCOCC1 ZINC000330366312 252093523 /nfs/dbraw/zinc/09/35/23/252093523.db2.gz NMWDQKVQIMWCIU-SRVKXCTJSA-N 1 2 288.344 -1.712 20 0 CAADLO COC(=O)[C@@H]1C[C@H](O)C[N@@H+]1C[C@@H](O)CN1CCOCC1 ZINC000330366312 252093526 /nfs/dbraw/zinc/09/35/26/252093526.db2.gz NMWDQKVQIMWCIU-SRVKXCTJSA-N 1 2 288.344 -1.712 20 0 CAADLO COC(=O)[C@@H]1C[C@H](O)C[N@H+]1C[C@@H](O)CN1CCOCC1 ZINC000330366312 252093530 /nfs/dbraw/zinc/09/35/30/252093530.db2.gz NMWDQKVQIMWCIU-SRVKXCTJSA-N 1 2 288.344 -1.712 20 0 CAADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)[C@H]1COCCO1 ZINC000328949310 252093861 /nfs/dbraw/zinc/09/38/61/252093861.db2.gz WNGAEXIVQVTBHW-VXGBXAGGSA-N 1 2 288.344 -1.447 20 0 CAADLO Cn1cnn(CCC(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)c1=O ZINC000328946079 252094527 /nfs/dbraw/zinc/09/45/27/252094527.db2.gz VGRNZDBYORGLCR-MNOVXSKESA-N 1 2 295.343 -1.487 20 0 CAADLO Cn1cnn(CCC(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)c1=O ZINC000328946079 252094532 /nfs/dbraw/zinc/09/45/32/252094532.db2.gz VGRNZDBYORGLCR-MNOVXSKESA-N 1 2 295.343 -1.487 20 0 CAADLO CCS(=O)(=O)NCC[N@@H+]1CCC[C@@H]1CS(N)(=O)=O ZINC000330367202 252094553 /nfs/dbraw/zinc/09/45/53/252094553.db2.gz PPXFQDJNSNDQJN-SECBINFHSA-N 1 2 299.418 -1.321 20 0 CAADLO CCS(=O)(=O)NCC[N@H+]1CCC[C@@H]1CS(N)(=O)=O ZINC000330367202 252094557 /nfs/dbraw/zinc/09/45/57/252094557.db2.gz PPXFQDJNSNDQJN-SECBINFHSA-N 1 2 299.418 -1.321 20 0 CAADLO Cn1cnn(CC(=O)N2CC[C@H]([NH+]3CCOCC3)C2)c1=O ZINC000329101249 252094734 /nfs/dbraw/zinc/09/47/34/252094734.db2.gz MXOPHXLLYLTYRK-NSHDSACASA-N 1 2 295.343 -1.485 20 0 CAADLO C[C@@H](NC(=O)C[N@@H+]1CCC[C@H]2C(=O)NC[C@H]21)C(=O)N(C)C ZINC000330394707 252094742 /nfs/dbraw/zinc/09/47/42/252094742.db2.gz DHQHFETWVFGTND-GMTAPVOTSA-N 1 2 296.371 -1.210 20 0 CAADLO C[C@@H](NC(=O)C[N@H+]1CCC[C@H]2C(=O)NC[C@H]21)C(=O)N(C)C ZINC000330394707 252094745 /nfs/dbraw/zinc/09/47/45/252094745.db2.gz DHQHFETWVFGTND-GMTAPVOTSA-N 1 2 296.371 -1.210 20 0 CAADLO COC(=O)C1CC[NH+](CC(=O)N2CCNC(=O)C2)CC1 ZINC000330428852 252094903 /nfs/dbraw/zinc/09/49/03/252094903.db2.gz LHWPNSWDTYOLQD-UHFFFAOYSA-N 1 2 283.328 -1.170 20 0 CAADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)[C@@H]1COCCO1 ZINC000328949307 252094952 /nfs/dbraw/zinc/09/49/52/252094952.db2.gz WNGAEXIVQVTBHW-NEPJUHHUSA-N 1 2 288.344 -1.447 20 0 CAADLO COC(=O)CNC(=O)C[N@@H+]1CCC[C@H]2C(=O)NC[C@H]21 ZINC000330392746 252095051 /nfs/dbraw/zinc/09/50/51/252095051.db2.gz BJUQNCKXDWVDKT-RKDXNWHRSA-N 1 2 269.301 -1.514 20 0 CAADLO COC(=O)CNC(=O)C[N@H+]1CCC[C@H]2C(=O)NC[C@H]21 ZINC000330392746 252095053 /nfs/dbraw/zinc/09/50/53/252095053.db2.gz BJUQNCKXDWVDKT-RKDXNWHRSA-N 1 2 269.301 -1.514 20 0 CAADLO O=C(N[C@@H](CO)C[NH+]1CCOCC1)[C@@H]1CCCO1 ZINC000330467841 252095575 /nfs/dbraw/zinc/09/55/75/252095575.db2.gz YGOXDFGELVKSES-MNOVXSKESA-N 1 2 258.318 -1.025 20 0 CAADLO CC(C)NC(=O)C[N@H+](C)CC(=O)N[C@H]1CC(=O)N(C)C1 ZINC000330439299 252095921 /nfs/dbraw/zinc/09/59/21/252095921.db2.gz OAIPCXWDIABZMZ-JTQLQIEISA-N 1 2 284.360 -1.210 20 0 CAADLO CC(C)NC(=O)C[N@@H+](C)CC(=O)N[C@H]1CC(=O)N(C)C1 ZINC000330439299 252095926 /nfs/dbraw/zinc/09/59/26/252095926.db2.gz OAIPCXWDIABZMZ-JTQLQIEISA-N 1 2 284.360 -1.210 20 0 CAADLO O=C(CO)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000330450284 252096161 /nfs/dbraw/zinc/09/61/61/252096161.db2.gz JOERTIWEQOEXER-JTQLQIEISA-N 1 2 271.317 -1.972 20 0 CAADLO C[C@@H](C(=O)N[C@@H](CO)C[NH+]1CCOCC1)n1cncn1 ZINC000330467816 252096267 /nfs/dbraw/zinc/09/62/67/252096267.db2.gz YCSIIAPSBHYOAK-WDEREUQCSA-N 1 2 283.332 -1.352 20 0 CAADLO Cn1nccc1C(=O)N[C@@H](CO)C[NH+]1CCOCC1 ZINC000330450984 252096501 /nfs/dbraw/zinc/09/65/01/252096501.db2.gz JYGQOKAJEKMAHN-SNVBAGLBSA-N 1 2 268.317 -1.157 20 0 CAADLO CC(=O)N[C@@H](C)C(=O)N[C@H](CO)C[NH+]1CCOCC1 ZINC000330456196 252096554 /nfs/dbraw/zinc/09/65/54/252096554.db2.gz NOFVOYMUKRBQBN-ONGXEEELSA-N 1 2 273.333 -1.680 20 0 CAADLO O=C(N[C@H](CO)C[NH+]1CCOCC1)[C@@H]1CCCO1 ZINC000330467842 252096639 /nfs/dbraw/zinc/09/66/39/252096639.db2.gz YGOXDFGELVKSES-QWRGUYRKSA-N 1 2 258.318 -1.025 20 0 CAADLO CC(=O)N[C@H](C)C(=O)N[C@@H](CO)C[NH+]1CCOCC1 ZINC000330456195 252096783 /nfs/dbraw/zinc/09/67/83/252096783.db2.gz NOFVOYMUKRBQBN-MWLCHTKSSA-N 1 2 273.333 -1.680 20 0 CAADLO C[C@H](C(=O)N[C@@H](CO)C[NH+]1CCOCC1)n1cncn1 ZINC000330467813 252096804 /nfs/dbraw/zinc/09/68/04/252096804.db2.gz YCSIIAPSBHYOAK-GHMZBOCLSA-N 1 2 283.332 -1.352 20 0 CAADLO O=C(N[C@@H](CO)C[NH+]1CCOCC1)c1ccn[nH]1 ZINC000330449577 252096833 /nfs/dbraw/zinc/09/68/33/252096833.db2.gz JFFUKBRHFNAZGR-SECBINFHSA-N 1 2 254.290 -1.167 20 0 CAADLO Cn1cc(CC(=O)N[C@@H](CO)C[NH+]2CCOCC2)cn1 ZINC000330456217 252096964 /nfs/dbraw/zinc/09/69/64/252096964.db2.gz NPVLNASNAGOGAF-GFCCVEGCSA-N 1 2 282.344 -1.228 20 0 CAADLO CNC(=O)C[N@H+](C)[C@H](C)C(=O)N1CCN(C(C)=O)CC1 ZINC000330511407 252097447 /nfs/dbraw/zinc/09/74/47/252097447.db2.gz BULDVVGQMODEMZ-SNVBAGLBSA-N 1 2 284.360 -1.257 20 0 CAADLO CNC(=O)C[N@@H+](C)[C@H](C)C(=O)N1CCN(C(C)=O)CC1 ZINC000330511407 252097452 /nfs/dbraw/zinc/09/74/52/252097452.db2.gz BULDVVGQMODEMZ-SNVBAGLBSA-N 1 2 284.360 -1.257 20 0 CAADLO CCS(=O)(=O)NCC(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000330471319 252097861 /nfs/dbraw/zinc/09/78/61/252097861.db2.gz DXDVRCBZWSMXOP-JTQLQIEISA-N 1 2 293.389 -1.237 20 0 CAADLO CCS(=O)(=O)NCC(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000330471319 252097865 /nfs/dbraw/zinc/09/78/65/252097865.db2.gz DXDVRCBZWSMXOP-JTQLQIEISA-N 1 2 293.389 -1.237 20 0 CAADLO CC(C)NC(=O)C[N@H+](C)CC(=O)N1CCO[C@@H](CO)C1 ZINC000330474583 252098514 /nfs/dbraw/zinc/09/85/14/252098514.db2.gz DPGIWCCSTSCHJC-LLVKDONJSA-N 1 2 287.360 -1.338 20 0 CAADLO CC(C)NC(=O)C[N@@H+](C)CC(=O)N1CCO[C@@H](CO)C1 ZINC000330474583 252098516 /nfs/dbraw/zinc/09/85/16/252098516.db2.gz DPGIWCCSTSCHJC-LLVKDONJSA-N 1 2 287.360 -1.338 20 0 CAADLO CNS(=O)(=O)NCC(=O)N(C)CCCn1cc[nH+]c1 ZINC000330475300 252098558 /nfs/dbraw/zinc/09/85/58/252098558.db2.gz IPSCWLUKWZQMKV-UHFFFAOYSA-N 1 2 289.361 -1.215 20 0 CAADLO CC(C)NC(=O)C[N@H+](C)CC(=O)N1CCO[C@H](CO)C1 ZINC000330474591 252098672 /nfs/dbraw/zinc/09/86/72/252098672.db2.gz DPGIWCCSTSCHJC-NSHDSACASA-N 1 2 287.360 -1.338 20 0 CAADLO CC(C)NC(=O)C[N@@H+](C)CC(=O)N1CCO[C@H](CO)C1 ZINC000330474591 252098674 /nfs/dbraw/zinc/09/86/74/252098674.db2.gz DPGIWCCSTSCHJC-NSHDSACASA-N 1 2 287.360 -1.338 20 0 CAADLO CCN1CCN(CC(=O)NCc2[nH+]ccn2C)C(=O)C1=O ZINC000330516445 252098711 /nfs/dbraw/zinc/09/87/11/252098711.db2.gz FJVJJBUKTFAENC-UHFFFAOYSA-N 1 2 293.327 -1.273 20 0 CAADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H]1COCCN1C ZINC000330554518 252099386 /nfs/dbraw/zinc/09/93/86/252099386.db2.gz GFDOTMFSTYPOOX-QWRGUYRKSA-N 1 2 296.327 -1.059 20 0 CAADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H]1COCCN1C ZINC000330554518 252099388 /nfs/dbraw/zinc/09/93/88/252099388.db2.gz GFDOTMFSTYPOOX-QWRGUYRKSA-N 1 2 296.327 -1.059 20 0 CAADLO CC(=O)N(C)CC(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000330553267 252099704 /nfs/dbraw/zinc/09/97/04/252099704.db2.gz UHXULMBATGCDGT-GFCCVEGCSA-N 1 2 287.360 -1.384 20 0 CAADLO COC(=O)CNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](NC(N)=O)C1 ZINC000330531990 252099753 /nfs/dbraw/zinc/09/97/53/252099753.db2.gz SMYKNXXKHIBBSG-HTQZYQBOSA-N 1 2 272.305 -1.179 20 0 CAADLO COC(=O)CNC(=O)[C@@H](C)[N@H+]1CC[C@@H](NC(N)=O)C1 ZINC000330531990 252099758 /nfs/dbraw/zinc/09/97/58/252099758.db2.gz SMYKNXXKHIBBSG-HTQZYQBOSA-N 1 2 272.305 -1.179 20 0 CAADLO C[C@@H](O)C(=O)N1CC[NH+](CCN2C(=O)CNC2=O)CC1 ZINC000330563059 252099886 /nfs/dbraw/zinc/09/98/86/252099886.db2.gz JROPKGYYSSPYRK-SECBINFHSA-N 1 2 284.316 -1.732 20 0 CAADLO COC(=O)CCNC(=O)C[N@@H+]1CC[C@H]2[C@@H](C1)NC(=O)N2C ZINC000330549198 252100013 /nfs/dbraw/zinc/10/00/13/252100013.db2.gz MEEPSUDENBMZNG-ZJUUUORDSA-N 1 2 298.343 -1.032 20 0 CAADLO COC(=O)CCNC(=O)C[N@H+]1CC[C@H]2[C@@H](C1)NC(=O)N2C ZINC000330549198 252100017 /nfs/dbraw/zinc/10/00/17/252100017.db2.gz MEEPSUDENBMZNG-ZJUUUORDSA-N 1 2 298.343 -1.032 20 0 CAADLO CNS(=O)(=O)CCC[NH+]1CCN(C(=O)[C@H](C)O)CC1 ZINC000330578976 252100050 /nfs/dbraw/zinc/10/00/50/252100050.db2.gz PPAKWMRLMCFMNT-JTQLQIEISA-N 1 2 293.389 -1.549 20 0 CAADLO CC(=O)N[C@@H](C)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000330533965 252100374 /nfs/dbraw/zinc/10/03/74/252100374.db2.gz IMKNPESJOBVFBK-JQWIXIFHSA-N 1 2 287.360 -1.338 20 0 CAADLO COC(=O)CNC(=O)[C@H](C)[N@@H+]1CC[C@H](NC(N)=O)C1 ZINC000330531993 252100506 /nfs/dbraw/zinc/10/05/06/252100506.db2.gz SMYKNXXKHIBBSG-YUMQZZPRSA-N 1 2 272.305 -1.179 20 0 CAADLO COC(=O)CNC(=O)[C@H](C)[N@H+]1CC[C@H](NC(N)=O)C1 ZINC000330531993 252100508 /nfs/dbraw/zinc/10/05/08/252100508.db2.gz SMYKNXXKHIBBSG-YUMQZZPRSA-N 1 2 272.305 -1.179 20 0 CAADLO COC(=O)CNC(=O)[C@@H](C)[N@@H+]1CC[C@H]2[C@@H](C1)NC(=O)N2C ZINC000330555141 252100601 /nfs/dbraw/zinc/10/06/01/252100601.db2.gz PBWJIKWFXINTHB-BBBLOLIVSA-N 1 2 298.343 -1.034 20 0 CAADLO COC(=O)CNC(=O)[C@@H](C)[N@H+]1CC[C@H]2[C@@H](C1)NC(=O)N2C ZINC000330555141 252100604 /nfs/dbraw/zinc/10/06/04/252100604.db2.gz PBWJIKWFXINTHB-BBBLOLIVSA-N 1 2 298.343 -1.034 20 0 CAADLO NC(=O)NCC(=O)N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000330533348 252100627 /nfs/dbraw/zinc/10/06/27/252100627.db2.gz IBCNZNCHMHAWOR-UHFFFAOYSA-N 1 2 297.359 -1.165 20 0 CAADLO C[C@H]1COCC[N@@H+]1CCNC(=O)Cn1ccc(=O)[nH]c1=O ZINC000330617210 252101405 /nfs/dbraw/zinc/10/14/05/252101405.db2.gz FTPLDFHKACTEFT-JTQLQIEISA-N 1 2 296.327 -1.214 20 0 CAADLO C[C@H]1COCC[N@H+]1CCNC(=O)Cn1ccc(=O)[nH]c1=O ZINC000330617210 252101409 /nfs/dbraw/zinc/10/14/09/252101409.db2.gz FTPLDFHKACTEFT-JTQLQIEISA-N 1 2 296.327 -1.214 20 0 CAADLO C[C@@H](O)C(=O)N1CC[NH+](C[C@@H](O)CN2CCCC2=O)CC1 ZINC000330589231 252101474 /nfs/dbraw/zinc/10/14/74/252101474.db2.gz UPDKKTYDOVSVGC-VXGBXAGGSA-N 1 2 299.371 -1.505 20 0 CAADLO CN(C)S(=O)(=O)CCC[NH+]1CCN(C(=O)CO)CC1 ZINC000330598115 252101488 /nfs/dbraw/zinc/10/14/88/252101488.db2.gz WHYZONRCBOWUTC-UHFFFAOYSA-N 1 2 293.389 -1.596 20 0 CAADLO C[C@@H](O)C(=O)N1CC[NH+](C[C@H](O)CN2CCCC2=O)CC1 ZINC000330589228 252101841 /nfs/dbraw/zinc/10/18/41/252101841.db2.gz UPDKKTYDOVSVGC-NEPJUHHUSA-N 1 2 299.371 -1.505 20 0 CAADLO C[C@@H]1C[C@H](C(=O)N[C@H](CO)C[NH+]2CCOCC2)CC(=O)N1 ZINC000330585733 252102148 /nfs/dbraw/zinc/10/21/48/252102148.db2.gz LOOZQRDPJDAFIM-WOPDTQHZSA-N 1 2 299.371 -1.290 20 0 CAADLO C[C@H](NC(=O)C[N@H+](C)[C@@H]1COC[C@H]1O)C(=O)N(C)C ZINC000330604053 252102292 /nfs/dbraw/zinc/10/22/92/252102292.db2.gz IKIDFCDMLYTXML-IVZWLZJFSA-N 1 2 273.333 -1.729 20 0 CAADLO C[C@H](NC(=O)C[N@@H+](C)[C@@H]1COC[C@H]1O)C(=O)N(C)C ZINC000330604053 252102296 /nfs/dbraw/zinc/10/22/96/252102296.db2.gz IKIDFCDMLYTXML-IVZWLZJFSA-N 1 2 273.333 -1.729 20 0 CAADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)Cn1ccc(=O)[nH]c1=O ZINC000330617211 252102502 /nfs/dbraw/zinc/10/25/02/252102502.db2.gz FTPLDFHKACTEFT-SNVBAGLBSA-N 1 2 296.327 -1.214 20 0 CAADLO C[C@@H]1COCC[N@H+]1CCNC(=O)Cn1ccc(=O)[nH]c1=O ZINC000330617211 252102505 /nfs/dbraw/zinc/10/25/05/252102505.db2.gz FTPLDFHKACTEFT-SNVBAGLBSA-N 1 2 296.327 -1.214 20 0 CAADLO COCC(=O)N1CC[NH+](CCCN2C(=O)CNC2=O)CC1 ZINC000330617159 252102513 /nfs/dbraw/zinc/10/25/13/252102513.db2.gz WGJIZYXIBMFOEX-UHFFFAOYSA-N 1 2 298.343 -1.077 20 0 CAADLO COC(=O)[C@H]1C[N@H+](C[C@H](O)CN2CCCC2=O)CCO1 ZINC000330714719 252103482 /nfs/dbraw/zinc/10/34/82/252103482.db2.gz BXZUYBYWTSHROX-WDEREUQCSA-N 1 2 286.328 -1.157 20 0 CAADLO COC(=O)[C@H]1C[N@@H+](C[C@H](O)CN2CCCC2=O)CCO1 ZINC000330714719 252103483 /nfs/dbraw/zinc/10/34/83/252103483.db2.gz BXZUYBYWTSHROX-WDEREUQCSA-N 1 2 286.328 -1.157 20 0 CAADLO COC(=O)[C@H]1C[N@H+](C[C@@H](O)CN2CCCC2=O)CCO1 ZINC000330714716 252103768 /nfs/dbraw/zinc/10/37/68/252103768.db2.gz BXZUYBYWTSHROX-GHMZBOCLSA-N 1 2 286.328 -1.157 20 0 CAADLO COC(=O)[C@H]1C[N@@H+](C[C@@H](O)CN2CCCC2=O)CCO1 ZINC000330714716 252103771 /nfs/dbraw/zinc/10/37/71/252103771.db2.gz BXZUYBYWTSHROX-GHMZBOCLSA-N 1 2 286.328 -1.157 20 0 CAADLO CC(C)NC(=O)C[N@H+](C)CC(=O)N1C[C@@H](O)C[C@@H]1CO ZINC000330695514 252104003 /nfs/dbraw/zinc/10/40/03/252104003.db2.gz CCUNTPDOAJCNED-MNOVXSKESA-N 1 2 287.360 -1.603 20 0 CAADLO CC(C)NC(=O)C[N@@H+](C)CC(=O)N1C[C@@H](O)C[C@@H]1CO ZINC000330695514 252104005 /nfs/dbraw/zinc/10/40/05/252104005.db2.gz CCUNTPDOAJCNED-MNOVXSKESA-N 1 2 287.360 -1.603 20 0 CAADLO C[C@H](C[NH+]1CCOCC1)NC(=O)CS(=O)(=O)N(C)C ZINC000330795493 252105079 /nfs/dbraw/zinc/10/50/79/252105079.db2.gz AOTOZGPUGVBUMM-SNVBAGLBSA-N 1 2 293.389 -1.285 20 0 CAADLO CCNC(=O)CC(=O)N1CC[NH+](CCn2cncn2)CC1 ZINC000330781522 252105302 /nfs/dbraw/zinc/10/53/02/252105302.db2.gz OKJCEMPDXNWGDA-UHFFFAOYSA-N 1 2 294.359 -1.052 20 0 CAADLO CCS(=O)(=O)N1CC[NH+](C[C@@](C)(O)C(=O)OC)CC1 ZINC000330733714 252106034 /nfs/dbraw/zinc/10/60/34/252106034.db2.gz KXDMHEDUSNDMAH-LLVKDONJSA-N 1 2 294.373 -1.122 20 0 CAADLO CNS(=O)(=O)CCC[N@@H+]1CCO[C@@H](CNC(C)=O)C1 ZINC000330795527 252106093 /nfs/dbraw/zinc/10/60/93/252106093.db2.gz AQFRYPPEKIROQT-NSHDSACASA-N 1 2 293.389 -1.237 20 0 CAADLO CNS(=O)(=O)CCC[N@H+]1CCO[C@@H](CNC(C)=O)C1 ZINC000330795527 252106098 /nfs/dbraw/zinc/10/60/98/252106098.db2.gz AQFRYPPEKIROQT-NSHDSACASA-N 1 2 293.389 -1.237 20 0 CAADLO CCNC(=O)C[NH+]1CCN(Cc2nnnn2C)CC1 ZINC000330764928 252106337 /nfs/dbraw/zinc/10/63/37/252106337.db2.gz SIYNUPAUMWAQOT-UHFFFAOYSA-N 1 2 267.337 -1.536 20 0 CAADLO CNC(=O)[C@@H]1C[N@H+](CCN2C(=O)NC(C)(C)C2=O)CCO1 ZINC000330814002 252106830 /nfs/dbraw/zinc/10/68/30/252106830.db2.gz MNXDXPONNDTYJF-VIFPVBQESA-N 1 2 298.343 -1.032 20 0 CAADLO CNC(=O)[C@@H]1C[N@@H+](CCN2C(=O)NC(C)(C)C2=O)CCO1 ZINC000330814002 252106833 /nfs/dbraw/zinc/10/68/33/252106833.db2.gz MNXDXPONNDTYJF-VIFPVBQESA-N 1 2 298.343 -1.032 20 0 CAADLO COC(=O)CNC(=O)C[N@@H+]1CCSC[C@H]1CO ZINC000330816518 252106972 /nfs/dbraw/zinc/10/69/72/252106972.db2.gz DHIGJAHNLVTAFS-MRVPVSSYSA-N 1 2 262.331 -1.315 20 0 CAADLO COC(=O)CNC(=O)C[N@H+]1CCSC[C@H]1CO ZINC000330816518 252106974 /nfs/dbraw/zinc/10/69/74/252106974.db2.gz DHIGJAHNLVTAFS-MRVPVSSYSA-N 1 2 262.331 -1.315 20 0 CAADLO COC(=O)CNC(=O)C[N@@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000330855252 252107086 /nfs/dbraw/zinc/10/70/86/252107086.db2.gz SKXVMSXMEACUSC-MRVPVSSYSA-N 1 2 293.345 -2.101 20 0 CAADLO COC(=O)CNC(=O)C[N@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000330855252 252107090 /nfs/dbraw/zinc/10/70/90/252107090.db2.gz SKXVMSXMEACUSC-MRVPVSSYSA-N 1 2 293.345 -2.101 20 0 CAADLO CC(C)NC(=O)C[NH+]1CCN(Cc2nc(=O)n(C)[nH]2)CC1 ZINC000330807081 252107124 /nfs/dbraw/zinc/10/71/24/252107124.db2.gz CRZOTHCFSKJZSL-UHFFFAOYSA-N 1 2 296.375 -1.249 20 0 CAADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)CS(=O)(=O)N(C)C ZINC000330847489 252107235 /nfs/dbraw/zinc/10/72/35/252107235.db2.gz YBNTXUCNHUCSQL-SNVBAGLBSA-N 1 2 293.389 -1.285 20 0 CAADLO C[C@@H]1COCC[N@H+]1CCNC(=O)CS(=O)(=O)N(C)C ZINC000330847489 252107237 /nfs/dbraw/zinc/10/72/37/252107237.db2.gz YBNTXUCNHUCSQL-SNVBAGLBSA-N 1 2 293.389 -1.285 20 0 CAADLO COC(=O)[C@@](C)(O)C[NH+]1CCN(C(=O)[C@@H](C)O)CC1 ZINC000330847702 252107317 /nfs/dbraw/zinc/10/73/17/252107317.db2.gz OOXMAUFDWOGDDA-SKDRFNHKSA-N 1 2 274.317 -1.565 20 0 CAADLO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+]1C[C@](C)(O)C(=O)OC ZINC000330815407 252107864 /nfs/dbraw/zinc/10/78/64/252107864.db2.gz CXYQTIQVJWBEKK-FYBVGQRMSA-N 1 2 261.274 -1.481 20 0 CAADLO COC(=O)[C@@H]1C[C@@H](O)C[N@H+]1C[C@](C)(O)C(=O)OC ZINC000330815407 252107867 /nfs/dbraw/zinc/10/78/67/252107867.db2.gz CXYQTIQVJWBEKK-FYBVGQRMSA-N 1 2 261.274 -1.481 20 0 CAADLO CN(C)S(=O)(=O)CC(=O)N(C)CC[NH+]1CCOCC1 ZINC000330818055 252107949 /nfs/dbraw/zinc/10/79/49/252107949.db2.gz MBYMPUWZIQRWKU-UHFFFAOYSA-N 1 2 293.389 -1.332 20 0 CAADLO CCOC(=O)[C@@](C)(O)C[NH+]1CCN(S(C)(=O)=O)CC1 ZINC000330920094 252108921 /nfs/dbraw/zinc/10/89/21/252108921.db2.gz OUQXOYAYDSHRIK-NSHDSACASA-N 1 2 294.373 -1.122 20 0 CAADLO CN(C)C(=O)CNS(=O)(=O)CCC[NH+]1CCOCC1 ZINC000330914954 252109520 /nfs/dbraw/zinc/10/95/20/252109520.db2.gz JKNYQZFNDIYFST-UHFFFAOYSA-N 1 2 293.389 -1.284 20 0 CAADLO NC(=O)CC(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000330948864 252110115 /nfs/dbraw/zinc/11/01/15/252110115.db2.gz JBKIUWBOLASLPQ-JTQLQIEISA-N 1 2 298.343 -1.039 20 0 CAADLO CC(C)(O)CC(=O)NC[C@H](O)C[NH+]1CCOCC1 ZINC000330969481 252110938 /nfs/dbraw/zinc/11/09/38/252110938.db2.gz JFSCQQBDTWQJKD-JTQLQIEISA-N 1 2 260.334 -1.043 20 0 CAADLO CC(C)OCC[C@H](O)C[NH+]1CCN(S(N)(=O)=O)CC1 ZINC000331000822 252111845 /nfs/dbraw/zinc/11/18/45/252111845.db2.gz NWDGBYLQUHFRMS-NSHDSACASA-N 1 2 295.405 -1.017 20 0 CAADLO COC(=O)[C@H]1CNC(=O)CN1C(=O)Cn1cc[nH+]c1 ZINC000330972797 252112062 /nfs/dbraw/zinc/11/20/62/252112062.db2.gz OKSSXIXIEBMJBU-MRVPVSSYSA-N 1 2 266.257 -1.617 20 0 CAADLO CNC(=O)[C@H]1C[N@H+](C[C@@](C)(O)C(=O)OC)CCO1 ZINC000331162313 252113236 /nfs/dbraw/zinc/11/32/36/252113236.db2.gz FPMUZRRUVFGSIC-LDYMZIIASA-N 1 2 260.290 -1.643 20 0 CAADLO CNC(=O)[C@H]1C[N@@H+](C[C@@](C)(O)C(=O)OC)CCO1 ZINC000331162313 252113240 /nfs/dbraw/zinc/11/32/40/252113240.db2.gz FPMUZRRUVFGSIC-LDYMZIIASA-N 1 2 260.290 -1.643 20 0 CAADLO COC(=O)CN1CCC([NH2+]Cc2nnn(C)n2)CC1 ZINC000331153306 252113348 /nfs/dbraw/zinc/11/33/48/252113348.db2.gz OOZMNUSEHQFSKK-UHFFFAOYSA-N 1 2 268.321 -1.063 20 0 CAADLO COC(=O)C[NH+]1CCC(NCc2nnn(C)n2)CC1 ZINC000331153306 252113351 /nfs/dbraw/zinc/11/33/51/252113351.db2.gz OOZMNUSEHQFSKK-UHFFFAOYSA-N 1 2 268.321 -1.063 20 0 CAADLO CCN(CC)S(=O)(=O)NC[C@@H](O)C[NH+]1CCOCC1 ZINC000331185182 252113404 /nfs/dbraw/zinc/11/34/04/252113404.db2.gz IRZZEVYDENHBIM-LLVKDONJSA-N 1 2 295.405 -1.144 20 0 CAADLO CCOC(=O)[C@@](C)(O)C[N@@H+]1CCO[C@@H](C(=O)NC)C1 ZINC000331040419 252113746 /nfs/dbraw/zinc/11/37/46/252113746.db2.gz CBOOQQRFNYJCIO-SKDRFNHKSA-N 1 2 274.317 -1.253 20 0 CAADLO CCOC(=O)[C@@](C)(O)C[N@H+]1CCO[C@@H](C(=O)NC)C1 ZINC000331040419 252113750 /nfs/dbraw/zinc/11/37/50/252113750.db2.gz CBOOQQRFNYJCIO-SKDRFNHKSA-N 1 2 274.317 -1.253 20 0 CAADLO CNC(=O)[C@@H]1C[N@H+](C[C@](C)(O)C(=O)OC)CCO1 ZINC000331162312 252114048 /nfs/dbraw/zinc/11/40/48/252114048.db2.gz FPMUZRRUVFGSIC-KWQFWETISA-N 1 2 260.290 -1.643 20 0 CAADLO CNC(=O)[C@@H]1C[N@@H+](C[C@](C)(O)C(=O)OC)CCO1 ZINC000331162312 252114052 /nfs/dbraw/zinc/11/40/52/252114052.db2.gz FPMUZRRUVFGSIC-KWQFWETISA-N 1 2 260.290 -1.643 20 0 CAADLO COC(=O)CCNC(=O)C[N@@H+]1C[C@H]2OCCN(C)[C@@H]2C1 ZINC000331184981 252114224 /nfs/dbraw/zinc/11/42/24/252114224.db2.gz ODXCOXSQXIMRHS-GHMZBOCLSA-N 1 2 285.344 -1.320 20 0 CAADLO COC(=O)CCNC(=O)C[N@H+]1C[C@H]2OCCN(C)[C@@H]2C1 ZINC000331184981 252114227 /nfs/dbraw/zinc/11/42/27/252114227.db2.gz ODXCOXSQXIMRHS-GHMZBOCLSA-N 1 2 285.344 -1.320 20 0 CAADLO CCOC(=O)[C@@](C)(O)C[N@@H+]1CCO[C@H](C(=O)NC)C1 ZINC000331040417 252114239 /nfs/dbraw/zinc/11/42/39/252114239.db2.gz CBOOQQRFNYJCIO-CABZTGNLSA-N 1 2 274.317 -1.253 20 0 CAADLO CCOC(=O)[C@@](C)(O)C[N@H+]1CCO[C@H](C(=O)NC)C1 ZINC000331040417 252114241 /nfs/dbraw/zinc/11/42/41/252114241.db2.gz CBOOQQRFNYJCIO-CABZTGNLSA-N 1 2 274.317 -1.253 20 0 CAADLO CCOC(=O)[C@](C)(O)C[N@@H+]1CCO[C@H](C(=O)NC)C1 ZINC000331040418 252114572 /nfs/dbraw/zinc/11/45/72/252114572.db2.gz CBOOQQRFNYJCIO-JOYOIKCWSA-N 1 2 274.317 -1.253 20 0 CAADLO CCOC(=O)[C@](C)(O)C[N@H+]1CCO[C@H](C(=O)NC)C1 ZINC000331040418 252114574 /nfs/dbraw/zinc/11/45/74/252114574.db2.gz CBOOQQRFNYJCIO-JOYOIKCWSA-N 1 2 274.317 -1.253 20 0 CAADLO CC(C)(O)CC(=O)N[C@@H](CO)C[NH+]1CCOCC1 ZINC000331237354 252115118 /nfs/dbraw/zinc/11/51/18/252115118.db2.gz HITCKFWIXARTFQ-SNVBAGLBSA-N 1 2 260.334 -1.043 20 0 CAADLO CNS(=O)(=O)CC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000331252323 252115142 /nfs/dbraw/zinc/11/51/42/252115142.db2.gz UHQGMCDQOYQPNT-UHFFFAOYSA-N 1 2 293.389 -1.237 20 0 CAADLO CNS(=O)(=O)CC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000331252323 252115145 /nfs/dbraw/zinc/11/51/45/252115145.db2.gz UHQGMCDQOYQPNT-UHFFFAOYSA-N 1 2 293.389 -1.237 20 0 CAADLO CNS(=O)(=O)CC(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000331234186 252115372 /nfs/dbraw/zinc/11/53/72/252115372.db2.gz JLCNDDSGUZNTHO-VHSXEESVSA-N 1 2 293.389 -1.239 20 0 CAADLO CNS(=O)(=O)CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000331256280 252115565 /nfs/dbraw/zinc/11/55/65/252115565.db2.gz ZHIRRRKMPVRMMZ-UHFFFAOYSA-N 1 2 293.389 -1.237 20 0 CAADLO C[N@@H+](CC(N)=O)C[C@@H]1CN(C(=O)[C@@H]2CNC(=O)C2)CCO1 ZINC000331253996 252115573 /nfs/dbraw/zinc/11/55/73/252115573.db2.gz WGGZRRJJWSBHTK-VHSXEESVSA-N 1 2 298.343 -1.183 20 0 CAADLO C[N@H+](CC(N)=O)C[C@@H]1CN(C(=O)[C@@H]2CNC(=O)C2)CCO1 ZINC000331253996 252115577 /nfs/dbraw/zinc/11/55/77/252115577.db2.gz WGGZRRJJWSBHTK-VHSXEESVSA-N 1 2 298.343 -1.183 20 0 CAADLO COC(=O)CNC(=O)[C@H](C)[N@@H+]1C[C@H]2OCCN(C)[C@H]2C1 ZINC000331203547 252115869 /nfs/dbraw/zinc/11/58/69/252115869.db2.gz RKUTYGQPCOAEDM-GARJFASQSA-N 1 2 285.344 -1.321 20 0 CAADLO COC(=O)CNC(=O)[C@H](C)[N@H+]1C[C@H]2OCCN(C)[C@H]2C1 ZINC000331203547 252115872 /nfs/dbraw/zinc/11/58/72/252115872.db2.gz RKUTYGQPCOAEDM-GARJFASQSA-N 1 2 285.344 -1.321 20 0 CAADLO COC(=O)CNC(=O)[C@H](C)N1C[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000331203547 252115875 /nfs/dbraw/zinc/11/58/75/252115875.db2.gz RKUTYGQPCOAEDM-GARJFASQSA-N 1 2 285.344 -1.321 20 0 CAADLO COC(=O)CNC(=O)[C@H](C)N1C[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000331203547 252115877 /nfs/dbraw/zinc/11/58/77/252115877.db2.gz RKUTYGQPCOAEDM-GARJFASQSA-N 1 2 285.344 -1.321 20 0 CAADLO CNS(=O)(=O)CC(=O)N1CC[NH+](CCOC)CC1 ZINC000331255633 252115977 /nfs/dbraw/zinc/11/59/77/252115977.db2.gz YREBBGSJRYXZBK-UHFFFAOYSA-N 1 2 279.362 -1.674 20 0 CAADLO COC(=O)[C@@H](C)CS(=O)(=O)N1CC[NH+](CCO)CC1 ZINC000331260177 252116038 /nfs/dbraw/zinc/11/60/38/252116038.db2.gz BBSAUPVUWXJAHL-JTQLQIEISA-N 1 2 294.373 -1.265 20 0 CAADLO CC(C)(O)CC(=O)N[C@H](CO)C[NH+]1CCOCC1 ZINC000331237353 252116357 /nfs/dbraw/zinc/11/63/57/252116357.db2.gz HITCKFWIXARTFQ-JTQLQIEISA-N 1 2 260.334 -1.043 20 0 CAADLO CNS(=O)(=O)CC(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000331249796 252116635 /nfs/dbraw/zinc/11/66/35/252116635.db2.gz RYINARHEJAGRFW-SECBINFHSA-N 1 2 279.362 -1.628 20 0 CAADLO CN(C[C@H]1C[N@H+](CCO)CCO1)c1nccn(C)c1=O ZINC000331223964 252116717 /nfs/dbraw/zinc/11/67/17/252116717.db2.gz DOCNRIOWRBOZKQ-NSHDSACASA-N 1 2 282.344 -1.090 20 0 CAADLO CN(C[C@H]1C[N@@H+](CCO)CCO1)c1nccn(C)c1=O ZINC000331223964 252116721 /nfs/dbraw/zinc/11/67/21/252116721.db2.gz DOCNRIOWRBOZKQ-NSHDSACASA-N 1 2 282.344 -1.090 20 0 CAADLO CCOC(=O)CN(C)C(=O)C[NH+]1C[C@H](O)[C@@H](O)C1 ZINC000331300962 252117206 /nfs/dbraw/zinc/11/72/06/252117206.db2.gz REQFINLKWVYUBP-IUCAKERBSA-N 1 2 260.290 -1.955 20 0 CAADLO CNS(=O)(=O)CCC[N@@H+]1CCC[C@@H](O)[C@@H]1C(=O)OC ZINC000331305415 252117482 /nfs/dbraw/zinc/11/74/82/252117482.db2.gz USKGTQOQCLZRHR-NXEZZACHSA-N 1 2 294.373 -1.076 20 0 CAADLO CNS(=O)(=O)CCC[N@H+]1CCC[C@@H](O)[C@@H]1C(=O)OC ZINC000331305415 252117486 /nfs/dbraw/zinc/11/74/86/252117486.db2.gz USKGTQOQCLZRHR-NXEZZACHSA-N 1 2 294.373 -1.076 20 0 CAADLO CCOC(=O)CN(C)C(=O)C[N@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000331300961 252117851 /nfs/dbraw/zinc/11/78/51/252117851.db2.gz REQFINLKWVYUBP-DTORHVGOSA-N 1 2 260.290 -1.955 20 0 CAADLO CCOC(=O)CN(C)C(=O)C[N@@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000331300961 252117854 /nfs/dbraw/zinc/11/78/54/252117854.db2.gz REQFINLKWVYUBP-DTORHVGOSA-N 1 2 260.290 -1.955 20 0 CAADLO C[N@@H+]1CCO[C@H](C(=O)NCCCc2n[nH]c(=O)[nH]2)C1 ZINC000331286653 252118410 /nfs/dbraw/zinc/11/84/10/252118410.db2.gz MFIZNMDNOABESO-QMMMGPOBSA-N 1 2 269.305 -1.110 20 0 CAADLO C[N@H+]1CCO[C@H](C(=O)NCCCc2n[nH]c(=O)[nH]2)C1 ZINC000331286653 252118414 /nfs/dbraw/zinc/11/84/14/252118414.db2.gz MFIZNMDNOABESO-QMMMGPOBSA-N 1 2 269.305 -1.110 20 0 CAADLO C[N@@H+]1CCO[C@@H](CNC(=O)N2CCN3C(=O)NC[C@@H]3C2)C1 ZINC000332936165 252121097 /nfs/dbraw/zinc/12/10/97/252121097.db2.gz WSUJVSXHMBWHRI-MNOVXSKESA-N 1 2 297.359 -1.264 20 0 CAADLO C[N@H+]1CCO[C@@H](CNC(=O)N2CCN3C(=O)NC[C@@H]3C2)C1 ZINC000332936165 252121100 /nfs/dbraw/zinc/12/11/00/252121100.db2.gz WSUJVSXHMBWHRI-MNOVXSKESA-N 1 2 297.359 -1.264 20 0 CAADLO C[C@H](NS(C)(=O)=O)C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000340728535 252121250 /nfs/dbraw/zinc/12/12/50/252121250.db2.gz YHMGBJSTIJRQTK-ZJUUUORDSA-N 1 2 293.389 -1.239 20 0 CAADLO C[C@H](NS(C)(=O)=O)C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000340728535 252121253 /nfs/dbraw/zinc/12/12/53/252121253.db2.gz YHMGBJSTIJRQTK-ZJUUUORDSA-N 1 2 293.389 -1.239 20 0 CAADLO CC(C)OC[C@@H](O)C[N@@H+]1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC000332739724 252121288 /nfs/dbraw/zinc/12/12/88/252121288.db2.gz YKLDENOMYVONEB-MNOVXSKESA-N 1 2 285.344 -1.585 20 0 CAADLO CC(C)OC[C@@H](O)C[N@H+]1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC000332739724 252121294 /nfs/dbraw/zinc/12/12/94/252121294.db2.gz YKLDENOMYVONEB-MNOVXSKESA-N 1 2 285.344 -1.585 20 0 CAADLO CC(C)OC[C@@H](O)C[N@@H+]1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC000332739725 252121302 /nfs/dbraw/zinc/12/13/02/252121302.db2.gz YKLDENOMYVONEB-QWRGUYRKSA-N 1 2 285.344 -1.585 20 0 CAADLO CC(C)OC[C@@H](O)C[N@H+]1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC000332739725 252121306 /nfs/dbraw/zinc/12/13/06/252121306.db2.gz YKLDENOMYVONEB-QWRGUYRKSA-N 1 2 285.344 -1.585 20 0 CAADLO CNC(=O)N[C@H]1CC[N@@H+]([C@@H]2CC(=O)N(C)C2=O)C1 ZINC000342456002 252122859 /nfs/dbraw/zinc/12/28/59/252122859.db2.gz RGOTUOFPZLNUKS-JGVFFNPUSA-N 1 2 254.290 -1.253 20 0 CAADLO CNC(=O)N[C@H]1CC[N@H+]([C@@H]2CC(=O)N(C)C2=O)C1 ZINC000342456002 252122862 /nfs/dbraw/zinc/12/28/62/252122862.db2.gz RGOTUOFPZLNUKS-JGVFFNPUSA-N 1 2 254.290 -1.253 20 0 CAADLO CC(C)Nc1nc(N2CC[C@@H](CO)C2)nc(NCCO)[nH+]1 ZINC000342370492 252123027 /nfs/dbraw/zinc/12/30/27/252123027.db2.gz OQJSZPZPNHDXBF-SNVBAGLBSA-N 1 2 296.375 -1.242 20 0 CAADLO CC(C)Nc1nc(NCCO)[nH+]c(N2CC[C@@H](CO)C2)n1 ZINC000342370492 252123033 /nfs/dbraw/zinc/12/30/33/252123033.db2.gz OQJSZPZPNHDXBF-SNVBAGLBSA-N 1 2 296.375 -1.242 20 0 CAADLO CC(C)Nc1nc(NCCO)nc(N2CC[C@@H](CO)C2)[nH+]1 ZINC000342370492 252123037 /nfs/dbraw/zinc/12/30/37/252123037.db2.gz OQJSZPZPNHDXBF-SNVBAGLBSA-N 1 2 296.375 -1.242 20 0 CAADLO CNC(=O)N[C@@H]1CC[N@H+](CC(=O)NC(=O)NC2CC2)C1 ZINC000342371209 252123140 /nfs/dbraw/zinc/12/31/40/252123140.db2.gz ULFFIRYXPPRLHK-SECBINFHSA-N 1 2 283.332 -1.022 20 0 CAADLO CNC(=O)N[C@@H]1CC[N@@H+](CC(=O)NC(=O)NC2CC2)C1 ZINC000342371209 252123143 /nfs/dbraw/zinc/12/31/43/252123143.db2.gz ULFFIRYXPPRLHK-SECBINFHSA-N 1 2 283.332 -1.022 20 0 CAADLO CC[N@@H+]1CCOC[C@@H]1C(=O)N1CC[C@@H](NC(N)=O)C1 ZINC000342533347 252124313 /nfs/dbraw/zinc/12/43/13/252124313.db2.gz BQJHGVAVLRMEMH-NXEZZACHSA-N 1 2 270.333 -1.024 20 0 CAADLO CC[N@H+]1CCOC[C@@H]1C(=O)N1CC[C@@H](NC(N)=O)C1 ZINC000342533347 252124316 /nfs/dbraw/zinc/12/43/16/252124316.db2.gz BQJHGVAVLRMEMH-NXEZZACHSA-N 1 2 270.333 -1.024 20 0 CAADLO CC[N@@H+]1CCOC[C@@H]1C(=O)N1CC[C@H](NC(N)=O)C1 ZINC000342533364 252124929 /nfs/dbraw/zinc/12/49/29/252124929.db2.gz BQJHGVAVLRMEMH-VHSXEESVSA-N 1 2 270.333 -1.024 20 0 CAADLO CC[N@H+]1CCOC[C@@H]1C(=O)N1CC[C@H](NC(N)=O)C1 ZINC000342533364 252124933 /nfs/dbraw/zinc/12/49/33/252124933.db2.gz BQJHGVAVLRMEMH-VHSXEESVSA-N 1 2 270.333 -1.024 20 0 CAADLO C[C@@H](C(=O)NC(N)=O)[N@@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000342485555 252125162 /nfs/dbraw/zinc/12/51/62/252125162.db2.gz WDOUSJJXWWVFGJ-BQBZGAKWSA-N 1 2 278.334 -1.807 20 0 CAADLO C[C@@H](C(=O)NC(N)=O)[N@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000342485555 252125165 /nfs/dbraw/zinc/12/51/65/252125165.db2.gz WDOUSJJXWWVFGJ-BQBZGAKWSA-N 1 2 278.334 -1.807 20 0 CAADLO NC(=O)N[C@H]1CCN(C(=O)NCC[NH+]2CCOCC2)C1 ZINC000342693750 252127531 /nfs/dbraw/zinc/12/75/31/252127531.db2.gz BUDXPHPMMWULJT-JTQLQIEISA-N 1 2 285.348 -1.229 20 0 CAADLO CN(C)C(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2CCC(=O)N2)CC1 ZINC000073807631 252077975 /nfs/dbraw/zinc/07/79/75/252077975.db2.gz MVEXWASUBNCEOW-NSHDSACASA-N 1 2 296.371 -1.113 20 0 CAADLO CN(C)C(=O)C[N@H+]1CCCN(C(=O)[C@@H]2CCC(=O)N2)CC1 ZINC000073807631 252077979 /nfs/dbraw/zinc/07/79/79/252077979.db2.gz MVEXWASUBNCEOW-NSHDSACASA-N 1 2 296.371 -1.113 20 0 CAADLO O=C(C[N@@H+]1CCNC(=O)CC1)N1CCNC(=O)C1 ZINC000073350329 252078482 /nfs/dbraw/zinc/07/84/82/252078482.db2.gz DKUFKCYWFQXITR-UHFFFAOYSA-N 1 2 254.290 -2.233 20 0 CAADLO O=C(C[N@H+]1CCNC(=O)CC1)N1CCNC(=O)C1 ZINC000073350329 252078486 /nfs/dbraw/zinc/07/84/86/252078486.db2.gz DKUFKCYWFQXITR-UHFFFAOYSA-N 1 2 254.290 -2.233 20 0 CAADLO O=C(C[C@@H]1NC(=O)NC1=O)NCC[NH+]1CCOCC1 ZINC000074728630 252078727 /nfs/dbraw/zinc/07/87/27/252078727.db2.gz UXBXYPUVHNXTKA-QMMMGPOBSA-N 1 2 270.289 -1.967 20 0 CAADLO CNC(=O)CN1CCN(C(=O)[C@H]2CC(F)(F)C[NH2+]2)CC1 ZINC000263033075 252079857 /nfs/dbraw/zinc/07/98/57/252079857.db2.gz SARJEMFGEHBQKM-SECBINFHSA-N 1 2 290.314 -1.126 20 0 CAADLO O=C(CNC(=O)[C@H]1CC(F)(F)C[NH2+]1)N1CCOCC1 ZINC000262894892 252080233 /nfs/dbraw/zinc/08/02/33/252080233.db2.gz CXBFCZXPSGHOCH-MRVPVSSYSA-N 1 2 277.271 -1.041 20 0 CAADLO CNC(=O)CN1CCN(C(=O)[C@@H]2CC(F)(F)C[NH2+]2)CC1 ZINC000263033084 252080298 /nfs/dbraw/zinc/08/02/98/252080298.db2.gz SARJEMFGEHBQKM-VIFPVBQESA-N 1 2 290.314 -1.126 20 0 CAADLO CS(=O)(=O)NCCNC(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000262964276 252080343 /nfs/dbraw/zinc/08/03/43/252080343.db2.gz KZVQSGDHGWISHQ-LURJTMIESA-N 1 2 271.289 -1.351 20 0 CAADLO C[C@H](C[NH+]1CCOCC1)NC(=O)CN1CC(=O)NC1=O ZINC000264622644 252082138 /nfs/dbraw/zinc/08/21/38/252082138.db2.gz BUAGEYUDXHFXLT-SECBINFHSA-N 1 2 284.316 -1.625 20 0 CAADLO C[C@@H]1C[N@H+](CCS(=O)(=O)N(C)C)C[C@H](CO)O1 ZINC000310209228 252086311 /nfs/dbraw/zinc/08/63/11/252086311.db2.gz JWINYAPLAGZVDJ-NXEZZACHSA-N 1 2 266.363 -1.041 20 0 CAADLO C[C@@H]1C[N@@H+](CCS(=O)(=O)N(C)C)C[C@H](CO)O1 ZINC000310209228 252086316 /nfs/dbraw/zinc/08/63/16/252086316.db2.gz JWINYAPLAGZVDJ-NXEZZACHSA-N 1 2 266.363 -1.041 20 0 CAADLO C[C@H]1CO[C@@H](CO)C[N@@H+]1CCS(=O)(=O)N(C)C ZINC000310291430 252086864 /nfs/dbraw/zinc/08/68/64/252086864.db2.gz KPUZGXCSLIDONK-VHSXEESVSA-N 1 2 266.363 -1.041 20 0 CAADLO C[C@H]1CO[C@@H](CO)C[N@H+]1CCS(=O)(=O)N(C)C ZINC000310291430 252086870 /nfs/dbraw/zinc/08/68/70/252086870.db2.gz KPUZGXCSLIDONK-VHSXEESVSA-N 1 2 266.363 -1.041 20 0 CAADLO CNC(=O)[C@H]1CCC[N@@H+]1CC(=O)N1CCNC(=O)C1 ZINC000299089243 252087086 /nfs/dbraw/zinc/08/70/86/252087086.db2.gz LYKCNCYWRLKNRU-SECBINFHSA-N 1 2 268.317 -1.845 20 0 CAADLO CNC(=O)[C@H]1CCC[N@H+]1CC(=O)N1CCNC(=O)C1 ZINC000299089243 252087092 /nfs/dbraw/zinc/08/70/92/252087092.db2.gz LYKCNCYWRLKNRU-SECBINFHSA-N 1 2 268.317 -1.845 20 0 CAADLO CC[C@H](C(=O)OC)N1CC[NH+](CCS(N)(=O)=O)CC1 ZINC000352659199 252139069 /nfs/dbraw/zinc/13/90/69/252139069.db2.gz MILIALVRURAJHT-SNVBAGLBSA-N 1 2 293.389 -1.156 20 0 CAADLO COC(=O)[C@@H]1CC[C@H](C(=O)N2CC[NH+](CCO)CC2)O1 ZINC000352162427 252139097 /nfs/dbraw/zinc/13/90/97/252139097.db2.gz MWWXYXQJEBUCTD-MNOVXSKESA-N 1 2 286.328 -1.157 20 0 CAADLO CC[N@@H+]1CCO[C@@H](C(=O)NCc2n[nH]c(=O)[nH]2)C1 ZINC000354495087 252139229 /nfs/dbraw/zinc/13/92/29/252139229.db2.gz NTTNSLRAVBDOEV-SSDOTTSWSA-N 1 2 255.278 -1.153 20 0 CAADLO CC[N@H+]1CCO[C@@H](C(=O)NCc2n[nH]c(=O)[nH]2)C1 ZINC000354495087 252139233 /nfs/dbraw/zinc/13/92/33/252139233.db2.gz NTTNSLRAVBDOEV-SSDOTTSWSA-N 1 2 255.278 -1.153 20 0 CAADLO C[C@H]1COCC[N@@H+]1CCNC(=O)NCCC(N)=O ZINC000356202283 252140537 /nfs/dbraw/zinc/14/05/37/252140537.db2.gz GNIFRXJIIMABSH-VIFPVBQESA-N 1 2 258.322 -1.118 20 0 CAADLO C[C@H]1COCC[N@H+]1CCNC(=O)NCCC(N)=O ZINC000356202283 252140539 /nfs/dbraw/zinc/14/05/39/252140539.db2.gz GNIFRXJIIMABSH-VIFPVBQESA-N 1 2 258.322 -1.118 20 0 CAADLO O=C(NC(CO)CO)[C@H]1COCC[N@@H+]1CC1CCC1 ZINC000356244759 252141633 /nfs/dbraw/zinc/14/16/33/252141633.db2.gz PPNWOJPUJDBRPC-GFCCVEGCSA-N 1 2 272.345 -1.043 20 0 CAADLO O=C(NC(CO)CO)[C@H]1COCC[N@H+]1CC1CCC1 ZINC000356244759 252141636 /nfs/dbraw/zinc/14/16/36/252141636.db2.gz PPNWOJPUJDBRPC-GFCCVEGCSA-N 1 2 272.345 -1.043 20 0 CAADLO NC(=O)NCC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000356652720 252144047 /nfs/dbraw/zinc/14/40/47/252144047.db2.gz VBEYKPRVLVAJTN-JTQLQIEISA-N 1 2 270.333 -1.022 20 0 CAADLO C[N@H+](CC(=O)N1CCNC1=O)CC(=O)N1CCOCC1 ZINC000357006571 252145826 /nfs/dbraw/zinc/14/58/26/252145826.db2.gz SHEKSBRFRTZTPC-UHFFFAOYSA-N 1 2 284.316 -1.671 20 0 CAADLO C[N@@H+](CC(=O)N1CCNC1=O)CC(=O)N1CCOCC1 ZINC000357006571 252145831 /nfs/dbraw/zinc/14/58/31/252145831.db2.gz SHEKSBRFRTZTPC-UHFFFAOYSA-N 1 2 284.316 -1.671 20 0 CAADLO CCNS(=O)(=O)[C@H]1CC[N@H+](CC(=O)NC(N)=O)C1 ZINC000356986873 252145980 /nfs/dbraw/zinc/14/59/80/252145980.db2.gz YCGVVATVLSMWLK-ZETCQYMHSA-N 1 2 278.334 -1.805 20 0 CAADLO CCNS(=O)(=O)[C@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC000356986873 252145984 /nfs/dbraw/zinc/14/59/84/252145984.db2.gz YCGVVATVLSMWLK-ZETCQYMHSA-N 1 2 278.334 -1.805 20 0 CAADLO C[C@@H]1C[N@@H+]([C@@H]2COC[C@@H]2O)CCN1S(C)(=O)=O ZINC000361356847 252171865 /nfs/dbraw/zinc/17/18/65/252171865.db2.gz UJZJOYSGBZIKSD-BBBLOLIVSA-N 1 2 264.347 -1.288 20 0 CAADLO C[C@@H]1C[N@H+]([C@@H]2COC[C@@H]2O)CCN1S(C)(=O)=O ZINC000361356847 252171870 /nfs/dbraw/zinc/17/18/70/252171870.db2.gz UJZJOYSGBZIKSD-BBBLOLIVSA-N 1 2 264.347 -1.288 20 0 CAADLO CCNC(=O)CC(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000357311506 252148625 /nfs/dbraw/zinc/14/86/25/252148625.db2.gz PQLBQSUQFNSLFX-NSHDSACASA-N 1 2 287.360 -1.336 20 0 CAADLO COCCCNC(=O)C[N@H+](C)CC(=O)N1CCNC1=O ZINC000357380539 252149517 /nfs/dbraw/zinc/14/95/17/252149517.db2.gz IJBWFKRFLIYOBZ-UHFFFAOYSA-N 1 2 286.332 -1.377 20 0 CAADLO COCCCNC(=O)C[N@@H+](C)CC(=O)N1CCNC1=O ZINC000357380539 252149520 /nfs/dbraw/zinc/14/95/20/252149520.db2.gz IJBWFKRFLIYOBZ-UHFFFAOYSA-N 1 2 286.332 -1.377 20 0 CAADLO CC(C)Nc1nc(NCCO)[nH+]c(NC[C@H](O)C(C)C)n1 ZINC000357523469 252149738 /nfs/dbraw/zinc/14/97/38/252149738.db2.gz AWVOKWFKKJPQSW-JTQLQIEISA-N 1 2 298.391 -1.209 20 0 CAADLO CC(C)Nc1nc(NC[C@H](O)C(C)C)nc(NCCO)[nH+]1 ZINC000357523469 252149743 /nfs/dbraw/zinc/14/97/43/252149743.db2.gz AWVOKWFKKJPQSW-JTQLQIEISA-N 1 2 298.391 -1.209 20 0 CAADLO CC(C)Nc1nc(NCCO)nc(NC[C@H](O)C(C)C)[nH+]1 ZINC000357523469 252149747 /nfs/dbraw/zinc/14/97/47/252149747.db2.gz AWVOKWFKKJPQSW-JTQLQIEISA-N 1 2 298.391 -1.209 20 0 CAADLO C[C@H]1C[N@H+](Cc2nc3c([nH]2)n(C)c(=O)n(C)c3=O)C[C@@H]1O ZINC000357614241 252150053 /nfs/dbraw/zinc/15/00/53/252150053.db2.gz JBLHZIMPZWJBSI-YUMQZZPRSA-N 1 2 293.327 -1.227 20 0 CAADLO C[C@H]1C[N@@H+](Cc2nc3c([nH]2)n(C)c(=O)n(C)c3=O)C[C@@H]1O ZINC000357614241 252150058 /nfs/dbraw/zinc/15/00/58/252150058.db2.gz JBLHZIMPZWJBSI-YUMQZZPRSA-N 1 2 293.327 -1.227 20 0 CAADLO CC(C)(C(N)=O)[NH+]1CCN(C(=O)[C@@H]2CCC(=O)NC2)CC1 ZINC000357373735 252150153 /nfs/dbraw/zinc/15/01/53/252150153.db2.gz ZXOCXJCFHMSTTK-SNVBAGLBSA-N 1 2 296.371 -1.079 20 0 CAADLO COCCC(=O)N1CC[NH+]([C@@H]2COC[C@H]2O)CC1 ZINC000361376170 252172074 /nfs/dbraw/zinc/17/20/74/252172074.db2.gz FYOODBCQCXEBKS-GHMZBOCLSA-N 1 2 258.318 -1.073 20 0 CAADLO CCS(=O)(=O)NCC[N@@H+]1CC[C@@H](S(=O)(=O)NC)C1 ZINC000361189823 252172081 /nfs/dbraw/zinc/17/20/81/252172081.db2.gz JGPPZCTZHGPMCW-SECBINFHSA-N 1 2 299.418 -1.451 20 0 CAADLO CCS(=O)(=O)NCC[N@H+]1CC[C@@H](S(=O)(=O)NC)C1 ZINC000361189823 252172084 /nfs/dbraw/zinc/17/20/84/252172084.db2.gz JGPPZCTZHGPMCW-SECBINFHSA-N 1 2 299.418 -1.451 20 0 CAADLO COCc1nc(C(=O)NC[C@@H]2C[NH+]3CCN2CC3)no1 ZINC000359225378 252159088 /nfs/dbraw/zinc/15/90/88/252159088.db2.gz SQISBXAVUXIUDC-SECBINFHSA-N 1 2 281.316 -1.054 20 0 CAADLO CC(=O)NCCC[NH+](CC(=O)N(C)C)CC(=O)N(C)C ZINC000359131581 252159258 /nfs/dbraw/zinc/15/92/58/252159258.db2.gz DNJDZWJNVIHFPB-UHFFFAOYSA-N 1 2 286.376 -1.009 20 0 CAADLO Cc1nc(N2CCO[C@H](C(N)=O)C2)nc(N(C)C)[nH+]1 ZINC000359148219 252159697 /nfs/dbraw/zinc/15/96/97/252159697.db2.gz IJSDBIFNKZUSFQ-QMMMGPOBSA-N 1 2 266.305 -1.063 20 0 CAADLO Cc1nc(N(C)C)nc(N2CCO[C@H](C(N)=O)C2)[nH+]1 ZINC000359148219 252159700 /nfs/dbraw/zinc/15/97/00/252159700.db2.gz IJSDBIFNKZUSFQ-QMMMGPOBSA-N 1 2 266.305 -1.063 20 0 CAADLO CNC(=O)NC(=O)C[N@@H+]1CCC[C@H](S(N)(=O)=O)C1 ZINC000359514161 252161349 /nfs/dbraw/zinc/16/13/49/252161349.db2.gz JPEUOHRCFHVZMB-ZETCQYMHSA-N 1 2 278.334 -1.805 20 0 CAADLO CNC(=O)NC(=O)C[N@H+]1CCC[C@H](S(N)(=O)=O)C1 ZINC000359514161 252161351 /nfs/dbraw/zinc/16/13/51/252161351.db2.gz JPEUOHRCFHVZMB-ZETCQYMHSA-N 1 2 278.334 -1.805 20 0 CAADLO CC(=O)NCCNc1nc(C)[nH+]c(NCCNC(C)=O)n1 ZINC000359342864 252161510 /nfs/dbraw/zinc/16/15/10/252161510.db2.gz JEKCZCYBIYCJNQ-UHFFFAOYSA-N 1 2 295.347 -1.880 20 0 CAADLO Cc1nc(N[C@H](C)CC(N)=O)nc(N[C@H](C)CC(N)=O)[nH+]1 ZINC000359598974 252162637 /nfs/dbraw/zinc/16/26/37/252162637.db2.gz DIMYLOOQIWMGCK-RNFRBKRXSA-N 1 2 295.347 -1.625 20 0 CAADLO CC(C)NC(=O)C(=O)N1CC[NH+]([C@@H]2COC[C@H]2O)CC1 ZINC000361288787 252172297 /nfs/dbraw/zinc/17/22/97/252172297.db2.gz OETIUSDAJSROSR-GHMZBOCLSA-N 1 2 285.344 -1.585 20 0 CAADLO CNC(=O)[C@H]1C[N@@H+]([C@@H](C)C(=O)NCCCOC)CCO1 ZINC000359628541 252163090 /nfs/dbraw/zinc/16/30/90/252163090.db2.gz ACWOBCNPDFQTKB-WDEREUQCSA-N 1 2 287.360 -1.026 20 0 CAADLO CNC(=O)[C@H]1C[N@H+]([C@@H](C)C(=O)NCCCOC)CCO1 ZINC000359628541 252163093 /nfs/dbraw/zinc/16/30/93/252163093.db2.gz ACWOBCNPDFQTKB-WDEREUQCSA-N 1 2 287.360 -1.026 20 0 CAADLO Cc1nc(N[C@@H](C)CC(N)=O)nc(N[C@@H](C)CC(N)=O)[nH+]1 ZINC000359598968 252163142 /nfs/dbraw/zinc/16/31/42/252163142.db2.gz DIMYLOOQIWMGCK-BQBZGAKWSA-N 1 2 295.347 -1.625 20 0 CAADLO CN1CCN(c2cc(NC[C@@](C)(O)CO)[nH+]cn2)CC1=O ZINC000360122986 252164549 /nfs/dbraw/zinc/16/45/49/252164549.db2.gz NFQLBRLSGIKTRV-CYBMUJFWSA-N 1 2 295.343 -1.090 20 0 CAADLO CN1CCN(c2cc(NC[C@@](C)(O)CO)nc[nH+]2)CC1=O ZINC000360122986 252164552 /nfs/dbraw/zinc/16/45/52/252164552.db2.gz NFQLBRLSGIKTRV-CYBMUJFWSA-N 1 2 295.343 -1.090 20 0 CAADLO CCn1cc(C[N@H+](CCO)CC(=O)NCC(=O)OC)cn1 ZINC000361353649 252171469 /nfs/dbraw/zinc/17/14/69/252171469.db2.gz UREDZLFTYFMLPA-UHFFFAOYSA-N 1 2 298.343 -1.014 20 0 CAADLO CCn1cc(C[N@@H+](CCO)CC(=O)NCC(=O)OC)cn1 ZINC000361353649 252171472 /nfs/dbraw/zinc/17/14/72/252171472.db2.gz UREDZLFTYFMLPA-UHFFFAOYSA-N 1 2 298.343 -1.014 20 0 CAADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)N1C[C@H](O)C[C@@H]1CO ZINC000361399116 252171547 /nfs/dbraw/zinc/17/15/47/252171547.db2.gz CRWHEHFGNVIYOX-IJLUTSLNSA-N 1 2 287.360 -1.156 20 0 CAADLO C[C@@H]1COCC[N@H+]1CCNC(=O)N1C[C@H](O)C[C@@H]1CO ZINC000361399116 252171550 /nfs/dbraw/zinc/17/15/50/252171550.db2.gz CRWHEHFGNVIYOX-IJLUTSLNSA-N 1 2 287.360 -1.156 20 0 CAADLO CCS(=O)(=O)NCC[N@@H+]1CC[C@H](S(=O)(=O)NC)C1 ZINC000361189826 252171565 /nfs/dbraw/zinc/17/15/65/252171565.db2.gz JGPPZCTZHGPMCW-VIFPVBQESA-N 1 2 299.418 -1.451 20 0 CAADLO CCS(=O)(=O)NCC[N@H+]1CC[C@H](S(=O)(=O)NC)C1 ZINC000361189826 252171569 /nfs/dbraw/zinc/17/15/69/252171569.db2.gz JGPPZCTZHGPMCW-VIFPVBQESA-N 1 2 299.418 -1.451 20 0 CAADLO CC[NH+]1CCN(C(=O)C(=O)NC[C@@H]2COCCO2)CC1 ZINC000342674363 252127702 /nfs/dbraw/zinc/12/77/02/252127702.db2.gz UNDYPIHKYLDHHR-LLVKDONJSA-N 1 2 285.344 -1.318 20 0 CAADLO CC(C)Nc1nc(N2CC[C@@](C)(O)C2)nc(NCCO)[nH+]1 ZINC000342827372 252128217 /nfs/dbraw/zinc/12/82/17/252128217.db2.gz YUJZFRRUENQVAV-CYBMUJFWSA-N 1 2 296.375 -1.099 20 0 CAADLO CC(C)Nc1nc(NCCO)[nH+]c(N2CC[C@@](C)(O)C2)n1 ZINC000342827372 252128226 /nfs/dbraw/zinc/12/82/26/252128226.db2.gz YUJZFRRUENQVAV-CYBMUJFWSA-N 1 2 296.375 -1.099 20 0 CAADLO CC(C)Nc1nc(NCCO)nc(N2CC[C@@](C)(O)C2)[nH+]1 ZINC000342827372 252128227 /nfs/dbraw/zinc/12/82/27/252128227.db2.gz YUJZFRRUENQVAV-CYBMUJFWSA-N 1 2 296.375 -1.099 20 0 CAADLO CC[C@H](CO)Nc1nc(NC)[nH+]c(N[C@@H](CC)CO)n1 ZINC000342790093 252128930 /nfs/dbraw/zinc/12/89/30/252128930.db2.gz QYTNPNRGPPXNHI-DTORHVGOSA-N 1 2 284.364 -1.455 20 0 CAADLO CC[C@H](CO)Nc1nc(N[C@@H](CC)CO)nc(NC)[nH+]1 ZINC000342790093 252128933 /nfs/dbraw/zinc/12/89/33/252128933.db2.gz QYTNPNRGPPXNHI-DTORHVGOSA-N 1 2 284.364 -1.455 20 0 CAADLO CC[C@H](CO)Nc1nc(NC)nc(N[C@@H](CC)CO)[nH+]1 ZINC000342790093 252128936 /nfs/dbraw/zinc/12/89/36/252128936.db2.gz QYTNPNRGPPXNHI-DTORHVGOSA-N 1 2 284.364 -1.455 20 0 CAADLO CC(C)(C)NC(=O)CNC(=O)C[N@@H+]1CC[C@H](NC(N)=O)C1 ZINC000342873796 252129160 /nfs/dbraw/zinc/12/91/60/252129160.db2.gz XUZUXLIVDOLMRB-VIFPVBQESA-N 1 2 299.375 -1.240 20 0 CAADLO CC(C)(C)NC(=O)CNC(=O)C[N@H+]1CC[C@H](NC(N)=O)C1 ZINC000342873796 252129161 /nfs/dbraw/zinc/12/91/61/252129161.db2.gz XUZUXLIVDOLMRB-VIFPVBQESA-N 1 2 299.375 -1.240 20 0 CAADLO COCCCNC(=O)C[N@@H+]1CC[C@@H](NC(N)=O)C1 ZINC000342867356 252129409 /nfs/dbraw/zinc/12/94/09/252129409.db2.gz BQKBZXIRZOZYQY-SECBINFHSA-N 1 2 258.322 -1.118 20 0 CAADLO COCCCNC(=O)C[N@H+]1CC[C@@H](NC(N)=O)C1 ZINC000342867356 252129411 /nfs/dbraw/zinc/12/94/11/252129411.db2.gz BQKBZXIRZOZYQY-SECBINFHSA-N 1 2 258.322 -1.118 20 0 CAADLO CC(C)Nc1nc(N[C@@H]2CNC(=O)C2)nc(NCCO)[nH+]1 ZINC000342935934 252129661 /nfs/dbraw/zinc/12/96/61/252129661.db2.gz CGSWZBUBIBBBLA-QMMMGPOBSA-N 1 2 295.347 -2.338 20 0 CAADLO CC(C)Nc1nc(NCCO)[nH+]c(N[C@@H]2CNC(=O)C2)n1 ZINC000342935934 252129666 /nfs/dbraw/zinc/12/96/66/252129666.db2.gz CGSWZBUBIBBBLA-QMMMGPOBSA-N 1 2 295.347 -2.338 20 0 CAADLO CC(C)Nc1nc(NCCO)nc(N[C@@H]2CNC(=O)C2)[nH+]1 ZINC000342935934 252129671 /nfs/dbraw/zinc/12/96/71/252129671.db2.gz CGSWZBUBIBBBLA-QMMMGPOBSA-N 1 2 295.347 -2.338 20 0 CAADLO C[N@@H+]1CCO[C@H]2CCN(C(=O)CN3CN=NC3=O)C[C@H]21 ZINC000343288839 252132309 /nfs/dbraw/zinc/13/23/09/252132309.db2.gz ROEZDONJWSRBIJ-ZJUUUORDSA-N 1 2 281.316 -1.085 20 0 CAADLO C[N@H+]1CCO[C@H]2CCN(C(=O)CN3CN=NC3=O)C[C@H]21 ZINC000343288839 252132314 /nfs/dbraw/zinc/13/23/14/252132314.db2.gz ROEZDONJWSRBIJ-ZJUUUORDSA-N 1 2 281.316 -1.085 20 0 CAADLO C[C@H](C(=O)N1CC[C@@H](NC(N)=O)C1)[NH+]1CCOCC1 ZINC000343047400 252132642 /nfs/dbraw/zinc/13/26/42/252132642.db2.gz MLTGISXAVFSOOC-NXEZZACHSA-N 1 2 270.333 -1.024 20 0 CAADLO C[C@@H]1CN(C(=O)C(=O)NCc2[nH+]ccn2C)C[C@H](CO)O1 ZINC000342981140 252132822 /nfs/dbraw/zinc/13/28/22/252132822.db2.gz QZUUSFFXOBOCSC-NXEZZACHSA-N 1 2 296.327 -1.356 20 0 CAADLO C[C@H]1CN(C(=O)C(=O)NCc2[nH+]ccn2C)C[C@@H](CO)O1 ZINC000342981141 252132897 /nfs/dbraw/zinc/13/28/97/252132897.db2.gz QZUUSFFXOBOCSC-UWVGGRQHSA-N 1 2 296.327 -1.356 20 0 CAADLO O=C(COC[C@@H]1CCOC1)NCCC[N@@H+]1CCNC(=O)C1 ZINC000344666058 252134174 /nfs/dbraw/zinc/13/41/74/252134174.db2.gz DBTMSOCDXKXPTB-GFCCVEGCSA-N 1 2 299.371 -1.022 20 0 CAADLO O=C(COC[C@@H]1CCOC1)NCCC[N@H+]1CCNC(=O)C1 ZINC000344666058 252134179 /nfs/dbraw/zinc/13/41/79/252134179.db2.gz DBTMSOCDXKXPTB-GFCCVEGCSA-N 1 2 299.371 -1.022 20 0 CAADLO C[C@@H](NC(=O)C(=O)N1CC(CO)C1)[C@H](C)[NH+]1CCOCC1 ZINC000343330069 252134520 /nfs/dbraw/zinc/13/45/20/252134520.db2.gz HGBJKLCIAXXRCS-MNOVXSKESA-N 1 2 299.371 -1.338 20 0 CAADLO C[C@@H](NC(=O)C(=O)N1CC(CO)C1)[C@@H](C)[NH+]1CCOCC1 ZINC000343330068 252135145 /nfs/dbraw/zinc/13/51/45/252135145.db2.gz HGBJKLCIAXXRCS-GHMZBOCLSA-N 1 2 299.371 -1.338 20 0 CAADLO C[N@@H+]1CCO[C@H](CNC(=O)N2C[C@@H](O)C[C@@H]2CO)C1 ZINC000361390134 252172643 /nfs/dbraw/zinc/17/26/43/252172643.db2.gz LILJDYVGGKDDPA-OUAUKWLOSA-N 1 2 273.333 -1.546 20 0 CAADLO C[N@H+]1CCO[C@H](CNC(=O)N2C[C@@H](O)C[C@@H]2CO)C1 ZINC000361390134 252172647 /nfs/dbraw/zinc/17/26/47/252172647.db2.gz LILJDYVGGKDDPA-OUAUKWLOSA-N 1 2 273.333 -1.546 20 0 CAADLO COC[C@@H](O)C[NH+]1CCN(S(N)(=O)=O)CC1 ZINC000351864983 252136113 /nfs/dbraw/zinc/13/61/13/252136113.db2.gz LHRSOAVVHOQIDV-QMMMGPOBSA-N 1 2 253.324 -2.185 20 0 CAADLO COC[C@H](O)C[NH+]1CCN(S(N)(=O)=O)CC1 ZINC000351864980 252136374 /nfs/dbraw/zinc/13/63/74/252136374.db2.gz LHRSOAVVHOQIDV-MRVPVSSYSA-N 1 2 253.324 -2.185 20 0 CAADLO COCC1(C(=O)NCC(=O)NCC[NH+]2CCOCC2)CC1 ZINC000352443730 252138822 /nfs/dbraw/zinc/13/88/22/252138822.db2.gz PSPKGRPBURQVRP-UHFFFAOYSA-N 1 2 299.371 -1.022 20 0 CAADLO COC(=O)CNC(=O)C[N@H+](C)[C@H]1CCN(C)C1=O ZINC000352659817 252138835 /nfs/dbraw/zinc/13/88/35/252138835.db2.gz OLYCDJLVCGGQET-QMMMGPOBSA-N 1 2 257.290 -1.562 20 0 CAADLO COC(=O)CNC(=O)C[N@@H+](C)[C@H]1CCN(C)C1=O ZINC000352659817 252138836 /nfs/dbraw/zinc/13/88/36/252138836.db2.gz OLYCDJLVCGGQET-QMMMGPOBSA-N 1 2 257.290 -1.562 20 0 CAADLO CNC(=O)C[N@@H+]1CCCN(C(=O)CN2CCCC2=O)CC1 ZINC000368831218 252185188 /nfs/dbraw/zinc/18/51/88/252185188.db2.gz VSVUCLNHMCUUIK-UHFFFAOYSA-N 1 2 296.371 -1.111 20 0 CAADLO C[N@@H+]1CCO[C@H](C(=O)N(C2CC2)[C@@H]2CC(=O)NC2=O)C1 ZINC000363302473 252180113 /nfs/dbraw/zinc/18/01/13/252180113.db2.gz IFYYGNVSBSIIDX-ZJUUUORDSA-N 1 2 281.312 -1.277 20 0 CAADLO C[N@H+]1CCO[C@H](C(=O)N(C2CC2)[C@@H]2CC(=O)NC2=O)C1 ZINC000363302473 252180115 /nfs/dbraw/zinc/18/01/15/252180115.db2.gz IFYYGNVSBSIIDX-ZJUUUORDSA-N 1 2 281.312 -1.277 20 0 CAADLO O=S(=O)(NC[C@@H]1C[NH+]2CCN1CC2)N1CCC1 ZINC000367224327 252181145 /nfs/dbraw/zinc/18/11/45/252181145.db2.gz MXDQIABEOZFSRP-SNVBAGLBSA-N 1 2 260.363 -1.474 20 0 CAADLO O=C1OC[C@@H]2CN(C[C@H](O)C[NH+]3CCOCC3)CCN12 ZINC000363867652 252181356 /nfs/dbraw/zinc/18/13/56/252181356.db2.gz WTBIBGQAFPNTMM-NWDGAFQWSA-N 1 2 285.344 -1.184 20 0 CAADLO CCS(=O)(=O)NCC[N@@H+]1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000363890225 252181578 /nfs/dbraw/zinc/18/15/78/252181578.db2.gz CGNFQDJAHPFLFG-RKDXNWHRSA-N 1 2 279.362 -1.500 20 0 CAADLO CCS(=O)(=O)NCC[N@H+]1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000363890225 252181583 /nfs/dbraw/zinc/18/15/83/252181583.db2.gz CGNFQDJAHPFLFG-RKDXNWHRSA-N 1 2 279.362 -1.500 20 0 CAADLO O=C1OC[C@@H]2CN(C[C@@H](O)C[NH+]3CCOCC3)CCN12 ZINC000363867653 252182117 /nfs/dbraw/zinc/18/21/17/252182117.db2.gz WTBIBGQAFPNTMM-RYUDHWBXSA-N 1 2 285.344 -1.184 20 0 CAADLO CNC(=O)C[N@H+]1CCCN(C(=O)CN2CCCC2=O)CC1 ZINC000368831218 252185192 /nfs/dbraw/zinc/18/51/92/252185192.db2.gz VSVUCLNHMCUUIK-UHFFFAOYSA-N 1 2 296.371 -1.111 20 0 CAADLO CC(C)Nc1nc(N2CCO[C@@H]3C[C@@H]32)nc(NCCO)[nH+]1 ZINC000368038166 252183058 /nfs/dbraw/zinc/18/30/58/252183058.db2.gz DVCMFKDHOBJDOL-VHSXEESVSA-N 1 2 294.359 -1.083 20 0 CAADLO CC(C)Nc1nc(NCCO)[nH+]c(N2CCO[C@@H]3C[C@@H]32)n1 ZINC000368038166 252183074 /nfs/dbraw/zinc/18/30/74/252183074.db2.gz DVCMFKDHOBJDOL-VHSXEESVSA-N 1 2 294.359 -1.083 20 0 CAADLO CC(C)Nc1nc(NCCO)nc(N2CCO[C@@H]3C[C@@H]32)[nH+]1 ZINC000368038166 252183078 /nfs/dbraw/zinc/18/30/78/252183078.db2.gz DVCMFKDHOBJDOL-VHSXEESVSA-N 1 2 294.359 -1.083 20 0 CAADLO CCOCCNC(=O)C[N@@H+]1CCC[C@@H](S(N)(=O)=O)C1 ZINC000368212547 252183514 /nfs/dbraw/zinc/18/35/14/252183514.db2.gz OVDVGDKSHPMENS-SNVBAGLBSA-N 1 2 293.389 -1.108 20 0 CAADLO CCOCCNC(=O)C[N@H+]1CCC[C@@H](S(N)(=O)=O)C1 ZINC000368212547 252183516 /nfs/dbraw/zinc/18/35/16/252183516.db2.gz OVDVGDKSHPMENS-SNVBAGLBSA-N 1 2 293.389 -1.108 20 0 CAADLO CC(C)Nc1nc(N2CCO[C@H]3C[C@H]32)nc(NCCO)[nH+]1 ZINC000368038167 252183924 /nfs/dbraw/zinc/18/39/24/252183924.db2.gz DVCMFKDHOBJDOL-ZJUUUORDSA-N 1 2 294.359 -1.083 20 0 CAADLO CC(C)Nc1nc(NCCO)[nH+]c(N2CCO[C@H]3C[C@H]32)n1 ZINC000368038167 252183928 /nfs/dbraw/zinc/18/39/28/252183928.db2.gz DVCMFKDHOBJDOL-ZJUUUORDSA-N 1 2 294.359 -1.083 20 0 CAADLO CC(C)Nc1nc(NCCO)nc(N2CCO[C@H]3C[C@H]32)[nH+]1 ZINC000368038167 252183930 /nfs/dbraw/zinc/18/39/30/252183930.db2.gz DVCMFKDHOBJDOL-ZJUUUORDSA-N 1 2 294.359 -1.083 20 0 CAADLO C[N@@H+]1CCO[C@H](CNC(=O)N2C[C@H](O)C[C@@H]2CO)C1 ZINC000361390132 252172742 /nfs/dbraw/zinc/17/27/42/252172742.db2.gz LILJDYVGGKDDPA-GMTAPVOTSA-N 1 2 273.333 -1.546 20 0 CAADLO C[N@H+]1CCO[C@H](CNC(=O)N2C[C@H](O)C[C@@H]2CO)C1 ZINC000361390132 252172744 /nfs/dbraw/zinc/17/27/44/252172744.db2.gz LILJDYVGGKDDPA-GMTAPVOTSA-N 1 2 273.333 -1.546 20 0 CAADLO NS(=O)(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000362043897 252175419 /nfs/dbraw/zinc/17/54/19/252175419.db2.gz HCVXSBDHSRZHOF-SECBINFHSA-N 1 2 281.403 -1.013 20 0 CAADLO CS(=O)(=O)NCC[N@@H+]1CCN2CCOC[C@H]2C1 ZINC000368824856 252185325 /nfs/dbraw/zinc/18/53/25/252185325.db2.gz MIDZODQYVOEJMU-SNVBAGLBSA-N 1 2 263.363 -1.448 20 0 CAADLO CS(=O)(=O)NCC[N@H+]1CCN2CCOC[C@H]2C1 ZINC000368824856 252185328 /nfs/dbraw/zinc/18/53/28/252185328.db2.gz MIDZODQYVOEJMU-SNVBAGLBSA-N 1 2 263.363 -1.448 20 0 CAADLO CNC(=O)C[N@@H+]1CCCN(C(=O)CNC(C)=O)CC1 ZINC000368831211 252185943 /nfs/dbraw/zinc/18/59/43/252185943.db2.gz VQGJLNFQFKFNSX-UHFFFAOYSA-N 1 2 270.333 -1.597 20 0 CAADLO CNC(=O)C[N@H+]1CCCN(C(=O)CNC(C)=O)CC1 ZINC000368831211 252185947 /nfs/dbraw/zinc/18/59/47/252185947.db2.gz VQGJLNFQFKFNSX-UHFFFAOYSA-N 1 2 270.333 -1.597 20 0 CAADLO CCS(=O)(=O)NCC[N@@H+]1CCN2CCOC[C@H]2C1 ZINC000368823095 252186019 /nfs/dbraw/zinc/18/60/19/252186019.db2.gz HOFYEOMAMFAQIO-LLVKDONJSA-N 1 2 277.390 -1.058 20 0 CAADLO CCS(=O)(=O)NCC[N@H+]1CCN2CCOC[C@H]2C1 ZINC000368823095 252186023 /nfs/dbraw/zinc/18/60/23/252186023.db2.gz HOFYEOMAMFAQIO-LLVKDONJSA-N 1 2 277.390 -1.058 20 0 CAADLO CNC(=O)C[N@@H+]1CCCN(C(=O)CCNC(N)=O)CC1 ZINC000368830137 252186039 /nfs/dbraw/zinc/18/60/39/252186039.db2.gz OWTRIUCKNPMPFR-UHFFFAOYSA-N 1 2 285.348 -1.675 20 0 CAADLO CNC(=O)C[N@H+]1CCCN(C(=O)CCNC(N)=O)CC1 ZINC000368830137 252186043 /nfs/dbraw/zinc/18/60/43/252186043.db2.gz OWTRIUCKNPMPFR-UHFFFAOYSA-N 1 2 285.348 -1.675 20 0 CAADLO COC(=O)CCNC(=O)C[N@@H+]1CCN2CCOC[C@H]2C1 ZINC000368827251 252186518 /nfs/dbraw/zinc/18/65/18/252186518.db2.gz VLWZHDPXTPRHKJ-LLVKDONJSA-N 1 2 285.344 -1.318 20 0 CAADLO COC(=O)CCNC(=O)C[N@H+]1CCN2CCOC[C@H]2C1 ZINC000368827251 252186522 /nfs/dbraw/zinc/18/65/22/252186522.db2.gz VLWZHDPXTPRHKJ-LLVKDONJSA-N 1 2 285.344 -1.318 20 0 CAADLO CNC(=O)C[N@@H+]1CCCN(C(=O)CCn2cncn2)CC1 ZINC000368837253 252187086 /nfs/dbraw/zinc/18/70/86/252187086.db2.gz BWUDRNVGNKEACQ-UHFFFAOYSA-N 1 2 294.359 -1.052 20 0 CAADLO CNC(=O)C[N@H+]1CCCN(C(=O)CCn2cncn2)CC1 ZINC000368837253 252187089 /nfs/dbraw/zinc/18/70/89/252187089.db2.gz BWUDRNVGNKEACQ-UHFFFAOYSA-N 1 2 294.359 -1.052 20 0 CAADLO C[C@H]1CC(=O)NCC[N@@H+]1CC(=O)NCC(=O)N1CCCC1 ZINC000369441258 252187244 /nfs/dbraw/zinc/18/72/44/252187244.db2.gz TWPLPVWSZJPQTJ-NSHDSACASA-N 1 2 296.371 -1.065 20 0 CAADLO C[C@H]1CC(=O)NCC[N@H+]1CC(=O)NCC(=O)N1CCCC1 ZINC000369441258 252187246 /nfs/dbraw/zinc/18/72/46/252187246.db2.gz TWPLPVWSZJPQTJ-NSHDSACASA-N 1 2 296.371 -1.065 20 0 CAADLO COC[C@H]1C[N@H+](CC(=O)N2CCNC2=O)CCO1 ZINC000369612788 252187929 /nfs/dbraw/zinc/18/79/29/252187929.db2.gz DQEGKYDTNOOSJM-SECBINFHSA-N 1 2 257.290 -1.115 20 0 CAADLO COC[C@H]1C[N@@H+](CC(=O)N2CCNC2=O)CCO1 ZINC000369612788 252187932 /nfs/dbraw/zinc/18/79/32/252187932.db2.gz DQEGKYDTNOOSJM-SECBINFHSA-N 1 2 257.290 -1.115 20 0 CAADLO CNC(=O)C[N@@H+]1CCCN(C(=O)[C@H]2CC(=O)N(C)C2)CC1 ZINC000368839992 252188124 /nfs/dbraw/zinc/18/81/24/252188124.db2.gz YDERMHGZWZGLLQ-NSHDSACASA-N 1 2 296.371 -1.255 20 0 CAADLO CNC(=O)C[N@H+]1CCCN(C(=O)[C@H]2CC(=O)N(C)C2)CC1 ZINC000368839992 252188128 /nfs/dbraw/zinc/18/81/28/252188128.db2.gz YDERMHGZWZGLLQ-NSHDSACASA-N 1 2 296.371 -1.255 20 0 CAADLO COC(=O)CCNC(=O)C[N@@H+]1CCNC(=O)C[C@@H]1C ZINC000369441846 252188147 /nfs/dbraw/zinc/18/81/47/252188147.db2.gz WINCDZKOOMTVKF-VIFPVBQESA-N 1 2 271.317 -1.124 20 0 CAADLO COC(=O)CCNC(=O)C[N@H+]1CCNC(=O)C[C@@H]1C ZINC000369441846 252188150 /nfs/dbraw/zinc/18/81/50/252188150.db2.gz WINCDZKOOMTVKF-VIFPVBQESA-N 1 2 271.317 -1.124 20 0 CAADLO CS(=O)(=O)NCC[N@@H+]1CCN2C(=O)OC[C@H]2C1 ZINC000370555900 252189883 /nfs/dbraw/zinc/18/98/83/252189883.db2.gz FGHLIVDHHVYRPJ-MRVPVSSYSA-N 1 2 263.319 -1.328 20 0 CAADLO CS(=O)(=O)NCC[N@H+]1CCN2C(=O)OC[C@H]2C1 ZINC000370555900 252189886 /nfs/dbraw/zinc/18/98/86/252189886.db2.gz FGHLIVDHHVYRPJ-MRVPVSSYSA-N 1 2 263.319 -1.328 20 0 CAADLO COCCOCC[N@@H+]1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC000370615719 252190647 /nfs/dbraw/zinc/19/06/47/252190647.db2.gz ICWJHDYQZKUBEX-SNVBAGLBSA-N 1 2 271.317 -1.708 20 0 CAADLO COCCOCC[N@H+]1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC000370615719 252190649 /nfs/dbraw/zinc/19/06/49/252190649.db2.gz ICWJHDYQZKUBEX-SNVBAGLBSA-N 1 2 271.317 -1.708 20 0 CAADLO CC[N@@H+]1CCOC[C@H]1C(=O)NCCN1C(=O)CNC1=O ZINC000371334663 252191718 /nfs/dbraw/zinc/19/17/18/252191718.db2.gz GSGQKPFCCBDAKW-VIFPVBQESA-N 1 2 284.316 -1.625 20 0 CAADLO CC[N@H+]1CCOC[C@H]1C(=O)NCCN1C(=O)CNC1=O ZINC000371334663 252191721 /nfs/dbraw/zinc/19/17/21/252191721.db2.gz GSGQKPFCCBDAKW-VIFPVBQESA-N 1 2 284.316 -1.625 20 0 CAADLO COCCCNC(=O)C[N@@H+]1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000371149311 252191896 /nfs/dbraw/zinc/19/18/96/252191896.db2.gz TVZNSJJWSMHCOH-NXEZZACHSA-N 1 2 273.333 -1.286 20 0 CAADLO COCCCNC(=O)C[N@H+]1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000371149311 252191899 /nfs/dbraw/zinc/19/18/99/252191899.db2.gz TVZNSJJWSMHCOH-NXEZZACHSA-N 1 2 273.333 -1.286 20 0 CAADLO O=C(NCCCO)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000370685790 252192192 /nfs/dbraw/zinc/19/21/92/252192192.db2.gz IXAPCQMVFLPING-LBPRGKRZSA-N 1 2 299.371 -1.334 20 0 CAADLO O=C(NCCCO)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000370685789 252192390 /nfs/dbraw/zinc/19/23/90/252192390.db2.gz IXAPCQMVFLPING-GFCCVEGCSA-N 1 2 299.371 -1.334 20 0 CAADLO O=C(C[N@@H+]1CCN2CCOC[C@H]2C1)N1CCNC1=O ZINC000371821844 252193024 /nfs/dbraw/zinc/19/30/24/252193024.db2.gz DTVBHBVBLHBXPJ-SNVBAGLBSA-N 1 2 268.317 -1.445 20 0 CAADLO O=C(C[N@H+]1CCN2CCOC[C@H]2C1)N1CCNC1=O ZINC000371821844 252193027 /nfs/dbraw/zinc/19/30/27/252193027.db2.gz DTVBHBVBLHBXPJ-SNVBAGLBSA-N 1 2 268.317 -1.445 20 0 CAADLO CCOCCNC(=O)C[N@@H+]1CC[C@H](S(=O)(=O)NC)C1 ZINC000372148846 252193072 /nfs/dbraw/zinc/19/30/72/252193072.db2.gz IQZGSZCGURGNDF-JTQLQIEISA-N 1 2 293.389 -1.237 20 0 CAADLO CCOCCNC(=O)C[N@H+]1CC[C@H](S(=O)(=O)NC)C1 ZINC000372148846 252193077 /nfs/dbraw/zinc/19/30/77/252193077.db2.gz IQZGSZCGURGNDF-JTQLQIEISA-N 1 2 293.389 -1.237 20 0 CAADLO CCNC(=O)NC(=O)C[N@@H+]1CCN2CCOC[C@@H]2C1 ZINC000371833851 252193961 /nfs/dbraw/zinc/19/39/61/252193961.db2.gz DWLRHRCCGYXSGW-JTQLQIEISA-N 1 2 270.333 -1.152 20 0 CAADLO CCNC(=O)NC(=O)C[N@H+]1CCN2CCOC[C@@H]2C1 ZINC000371833851 252193964 /nfs/dbraw/zinc/19/39/64/252193964.db2.gz DWLRHRCCGYXSGW-JTQLQIEISA-N 1 2 270.333 -1.152 20 0 CAADLO CNS(=O)(=O)[C@@H]1CC[N@H+](CC(=O)NCCCOC)C1 ZINC000372158173 252194161 /nfs/dbraw/zinc/19/41/61/252194161.db2.gz TUCIJXQRPHBZBW-SNVBAGLBSA-N 1 2 293.389 -1.237 20 0 CAADLO CNS(=O)(=O)[C@@H]1CC[N@@H+](CC(=O)NCCCOC)C1 ZINC000372158173 252194162 /nfs/dbraw/zinc/19/41/62/252194162.db2.gz TUCIJXQRPHBZBW-SNVBAGLBSA-N 1 2 293.389 -1.237 20 0 CAADLO CNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](S(=O)(=O)NC)C1 ZINC000372155345 252194534 /nfs/dbraw/zinc/19/45/34/252194534.db2.gz FBRCVWFJSOGJBC-HTQZYQBOSA-N 1 2 292.361 -1.546 20 0 CAADLO CNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@@H](S(=O)(=O)NC)C1 ZINC000372155345 252194536 /nfs/dbraw/zinc/19/45/36/252194536.db2.gz FBRCVWFJSOGJBC-HTQZYQBOSA-N 1 2 292.361 -1.546 20 0 CAADLO CC(C)(O)C(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000372865293 252196447 /nfs/dbraw/zinc/19/64/47/252196447.db2.gz GITSVZVVJYHCBL-NSHDSACASA-N 1 2 299.371 -1.193 20 0 CAADLO CCS(=O)(=O)CCNC(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000372859780 252196498 /nfs/dbraw/zinc/19/64/98/252196498.db2.gz RWNCEVWTVCECPF-NSHDSACASA-N 1 2 289.401 -1.073 20 0 CAADLO CCS(=O)(=O)CCNC(=O)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000372859780 252196502 /nfs/dbraw/zinc/19/65/02/252196502.db2.gz RWNCEVWTVCECPF-NSHDSACASA-N 1 2 289.401 -1.073 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC000373129281 252197693 /nfs/dbraw/zinc/19/76/93/252197693.db2.gz YMQMUYBOEPOMMH-SNVBAGLBSA-N 1 2 291.373 -1.402 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC000373129281 252197697 /nfs/dbraw/zinc/19/76/97/252197697.db2.gz YMQMUYBOEPOMMH-SNVBAGLBSA-N 1 2 291.373 -1.402 20 0 CAADLO CCS(=O)(=O)NCCC[N@@H+]1C[C@H](O)C[C@@H]1C(=O)OC ZINC000373761905 252197880 /nfs/dbraw/zinc/19/78/80/252197880.db2.gz CJEDGCDUNIUUPL-NXEZZACHSA-N 1 2 294.373 -1.076 20 0 CAADLO CCS(=O)(=O)NCCC[N@H+]1C[C@H](O)C[C@@H]1C(=O)OC ZINC000373761905 252197881 /nfs/dbraw/zinc/19/78/81/252197881.db2.gz CJEDGCDUNIUUPL-NXEZZACHSA-N 1 2 294.373 -1.076 20 0 CAADLO C[C@H]1C[N@H+](CC(=O)N2CCNC(=O)C2)C[C@@]2(CCOC2)O1 ZINC000373754566 252197987 /nfs/dbraw/zinc/19/79/87/252197987.db2.gz WZDCLSALENOJJS-SMDDNHRTSA-N 1 2 297.355 -1.175 20 0 CAADLO C[C@H]1C[N@@H+](CC(=O)N2CCNC(=O)C2)C[C@@]2(CCOC2)O1 ZINC000373754566 252197988 /nfs/dbraw/zinc/19/79/88/252197988.db2.gz WZDCLSALENOJJS-SMDDNHRTSA-N 1 2 297.355 -1.175 20 0 CAADLO CCS(=O)(=O)NCCC[N@@H+]1C[C@@H](O)C[C@@H]1C(=O)OC ZINC000373761907 252198339 /nfs/dbraw/zinc/19/83/39/252198339.db2.gz CJEDGCDUNIUUPL-VHSXEESVSA-N 1 2 294.373 -1.076 20 0 CAADLO CCS(=O)(=O)NCCC[N@H+]1C[C@@H](O)C[C@@H]1C(=O)OC ZINC000373761907 252198343 /nfs/dbraw/zinc/19/83/43/252198343.db2.gz CJEDGCDUNIUUPL-VHSXEESVSA-N 1 2 294.373 -1.076 20 0 CAADLO C[C@@H]1C[N@H+](CC(=O)N2CCNC(=O)C2)C[C@]2(CCOC2)O1 ZINC000373754565 252198425 /nfs/dbraw/zinc/19/84/25/252198425.db2.gz WZDCLSALENOJJS-RISCZKNCSA-N 1 2 297.355 -1.175 20 0 CAADLO C[C@@H]1C[N@@H+](CC(=O)N2CCNC(=O)C2)C[C@]2(CCOC2)O1 ZINC000373754565 252198428 /nfs/dbraw/zinc/19/84/28/252198428.db2.gz WZDCLSALENOJJS-RISCZKNCSA-N 1 2 297.355 -1.175 20 0 CAADLO CNS(=O)(=O)[C@@H]1CC[N@H+](CCS(=O)(=O)N(C)C)C1 ZINC000375575876 252201773 /nfs/dbraw/zinc/20/17/73/252201773.db2.gz CITWEEAUVSVFMJ-SECBINFHSA-N 1 2 299.418 -1.499 20 0 CAADLO CNS(=O)(=O)[C@@H]1CC[N@@H+](CCS(=O)(=O)N(C)C)C1 ZINC000375575876 252201775 /nfs/dbraw/zinc/20/17/75/252201775.db2.gz CITWEEAUVSVFMJ-SECBINFHSA-N 1 2 299.418 -1.499 20 0 CAADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H]2COC(=O)N2)CC1 ZINC000375093173 252201826 /nfs/dbraw/zinc/20/18/26/252201826.db2.gz IIOFVOBUVUQBAL-SNVBAGLBSA-N 1 2 298.343 -1.235 20 0 CAADLO CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H]2COC(=O)N2)CC1 ZINC000375093173 252201827 /nfs/dbraw/zinc/20/18/27/252201827.db2.gz IIOFVOBUVUQBAL-SNVBAGLBSA-N 1 2 298.343 -1.235 20 0 CAADLO CCS(=O)(=O)NCCC[N@@H+]1CCO[C@H](C(=O)NC)C1 ZINC000376869597 252204185 /nfs/dbraw/zinc/20/41/85/252204185.db2.gz LUEFHYHEEIHZQV-JTQLQIEISA-N 1 2 293.389 -1.237 20 0 CAADLO CCS(=O)(=O)NCCC[N@H+]1CCO[C@H](C(=O)NC)C1 ZINC000376869597 252204187 /nfs/dbraw/zinc/20/41/87/252204187.db2.gz LUEFHYHEEIHZQV-JTQLQIEISA-N 1 2 293.389 -1.237 20 0 CAADLO CC[N@@H+]1CCOC[C@H]1C(=O)N1CC(NC(=O)COC)C1 ZINC000376941411 252206379 /nfs/dbraw/zinc/20/63/79/252206379.db2.gz OEWBVSUNCDQRAX-NSHDSACASA-N 1 2 285.344 -1.320 20 0 CAADLO CC[N@H+]1CCOC[C@H]1C(=O)N1CC(NC(=O)COC)C1 ZINC000376941411 252206382 /nfs/dbraw/zinc/20/63/82/252206382.db2.gz OEWBVSUNCDQRAX-NSHDSACASA-N 1 2 285.344 -1.320 20 0 CAADLO CC(C)(C(=O)N1CCO[C@H](C(N)=O)C1)[NH+]1CCOCC1 ZINC000377789544 252206677 /nfs/dbraw/zinc/20/66/77/252206677.db2.gz PLTKGPQAGOGUNL-JTQLQIEISA-N 1 2 285.344 -1.190 20 0 CAADLO O=C(Cc1[nH]c(O)nc1O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000378318390 252208126 /nfs/dbraw/zinc/20/81/26/252208126.db2.gz UOHDFJYBTAIDHJ-RCOVLWMOSA-N 1 2 277.284 -1.019 20 0 CAADLO CC[N@@H+]1CCOC[C@H]1C(=O)N1CCN(CC(=O)NC)CC1 ZINC000378363794 252208216 /nfs/dbraw/zinc/20/82/16/252208216.db2.gz YLBYRHIROAVTDP-LBPRGKRZSA-N 1 2 298.387 -1.403 20 0 CAADLO CC[N@H+]1CCOC[C@H]1C(=O)N1CCN(CC(=O)NC)CC1 ZINC000378363794 252208218 /nfs/dbraw/zinc/20/82/18/252208218.db2.gz YLBYRHIROAVTDP-LBPRGKRZSA-N 1 2 298.387 -1.403 20 0 CAADLO C[C@H](O)C[NH+]1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000407960177 252209815 /nfs/dbraw/zinc/20/98/15/252209815.db2.gz XAKQNQDDKKTCCJ-NSHDSACASA-N 1 2 293.389 -1.438 20 0 CAADLO CNS(=O)(=O)C[C@H]1CCC[N@@H+]1[C@@H]1CCNC1=O ZINC000407949873 252209997 /nfs/dbraw/zinc/20/99/97/252209997.db2.gz QQAOWIMQPMZNPG-RKDXNWHRSA-N 1 2 261.347 -1.112 20 0 CAADLO CNS(=O)(=O)C[C@H]1CCC[N@H+]1[C@@H]1CCNC1=O ZINC000407949873 252210002 /nfs/dbraw/zinc/21/00/02/252210002.db2.gz QQAOWIMQPMZNPG-RKDXNWHRSA-N 1 2 261.347 -1.112 20 0 CAADLO CCS(=O)(=O)NCC[N@@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000407949137 252210717 /nfs/dbraw/zinc/21/07/17/252210717.db2.gz MTZLTVNERBMJKU-VIFPVBQESA-N 1 2 299.418 -1.451 20 0 CAADLO CCS(=O)(=O)NCC[N@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000407949137 252210721 /nfs/dbraw/zinc/21/07/21/252210721.db2.gz MTZLTVNERBMJKU-VIFPVBQESA-N 1 2 299.418 -1.451 20 0 CAADLO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1CCNS(C)(=O)=O ZINC000407949100 252210883 /nfs/dbraw/zinc/21/08/83/252210883.db2.gz MDGXKMHJOVCNGJ-VIFPVBQESA-N 1 2 299.418 -1.451 20 0 CAADLO CNS(=O)(=O)C[C@@H]1CCC[N@H+]1CCNS(C)(=O)=O ZINC000407949100 252210885 /nfs/dbraw/zinc/21/08/85/252210885.db2.gz MDGXKMHJOVCNGJ-VIFPVBQESA-N 1 2 299.418 -1.451 20 0 CAADLO CN(C)S(=O)(=O)CC[N@@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000407948526 252210937 /nfs/dbraw/zinc/21/09/37/252210937.db2.gz FTYKPQXUUSAILB-SECBINFHSA-N 1 2 299.418 -1.499 20 0 CAADLO CN(C)S(=O)(=O)CC[N@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000407948526 252210939 /nfs/dbraw/zinc/21/09/39/252210939.db2.gz FTYKPQXUUSAILB-SECBINFHSA-N 1 2 299.418 -1.499 20 0 CAADLO C[C@@H](O)C[NH+]1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000407960176 252211001 /nfs/dbraw/zinc/21/10/01/252211001.db2.gz XAKQNQDDKKTCCJ-LLVKDONJSA-N 1 2 293.389 -1.438 20 0 CAADLO CCS(=O)(=O)NCC[N@@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000407949135 252211041 /nfs/dbraw/zinc/21/10/41/252211041.db2.gz MTZLTVNERBMJKU-SECBINFHSA-N 1 2 299.418 -1.451 20 0 CAADLO CCS(=O)(=O)NCC[N@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000407949135 252211043 /nfs/dbraw/zinc/21/10/43/252211043.db2.gz MTZLTVNERBMJKU-SECBINFHSA-N 1 2 299.418 -1.451 20 0 CAADLO CC(C)(C(N)=O)[NH+]1CCN(C(=O)[C@H]2CCNC(=O)C2)CC1 ZINC000407991365 252212485 /nfs/dbraw/zinc/21/24/85/252212485.db2.gz UXADJOJPNWHLDO-JTQLQIEISA-N 1 2 296.371 -1.079 20 0 CAADLO CN1CC[C@@H](C(=O)N2CC[NH+](CCO)CC2)CC1=O ZINC000408093088 252222235 /nfs/dbraw/zinc/22/22/35/252222235.db2.gz NPKRXMRPCTVNQM-LLVKDONJSA-N 1 2 269.345 -1.009 20 0 CAADLO CNC(=O)[C@@H]1CCC[N@@H+]1CC(=O)N1CCN(C(C)=O)CC1 ZINC000408078835 252222581 /nfs/dbraw/zinc/22/25/81/252222581.db2.gz FJOXRVZMFHPVRM-LBPRGKRZSA-N 1 2 296.371 -1.113 20 0 CAADLO CNC(=O)[C@@H]1CCC[N@H+]1CC(=O)N1CCN(C(C)=O)CC1 ZINC000408078835 252222585 /nfs/dbraw/zinc/22/25/85/252222585.db2.gz FJOXRVZMFHPVRM-LBPRGKRZSA-N 1 2 296.371 -1.113 20 0 CAADLO CCN(C)C(=O)C[N@@H+]1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000408143786 252223145 /nfs/dbraw/zinc/22/31/45/252223145.db2.gz CCLZKWFNJILWGG-MRVPVSSYSA-N 1 2 254.290 -1.299 20 0 CAADLO CCN(C)C(=O)C[N@H+]1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000408143786 252223149 /nfs/dbraw/zinc/22/31/49/252223149.db2.gz CCLZKWFNJILWGG-MRVPVSSYSA-N 1 2 254.290 -1.299 20 0 CAADLO COC(=O)[C@](C)(O)C[NH+]1CCN(S(N)(=O)=O)CC1 ZINC000408151050 252225751 /nfs/dbraw/zinc/22/57/51/252225751.db2.gz SPBUNKWNVDFNJY-SECBINFHSA-N 1 2 281.334 -2.269 20 0 CAADLO CNC(=O)C(=O)N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC000408014100 252214833 /nfs/dbraw/zinc/21/48/33/252214833.db2.gz RTCSWUQIGRHDQW-UHFFFAOYSA-N 1 2 296.371 -1.111 20 0 CAADLO CNC(=O)C(=O)N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC000408014100 252214838 /nfs/dbraw/zinc/21/48/38/252214838.db2.gz RTCSWUQIGRHDQW-UHFFFAOYSA-N 1 2 296.371 -1.111 20 0 CAADLO CNS(=O)(=O)NC1CC[NH+](Cc2cnnn2C)CC1 ZINC000408013841 252214852 /nfs/dbraw/zinc/21/48/52/252214852.db2.gz YGKJOLWFXBNIFT-UHFFFAOYSA-N 1 2 288.377 -1.167 20 0 CAADLO CC[N@@H+]1CCOC[C@@H]1C(=O)N1CCO[C@@H](C(=O)NC)C1 ZINC000408175040 252226139 /nfs/dbraw/zinc/22/61/39/252226139.db2.gz WTZZTMKOLJRMQI-GHMZBOCLSA-N 1 2 285.344 -1.320 20 0 CAADLO CC[N@H+]1CCOC[C@@H]1C(=O)N1CCO[C@@H](C(=O)NC)C1 ZINC000408175040 252226141 /nfs/dbraw/zinc/22/61/41/252226141.db2.gz WTZZTMKOLJRMQI-GHMZBOCLSA-N 1 2 285.344 -1.320 20 0 CAADLO CCOC[C@H](O)C[NH+]1CCN(S(=O)(=O)NC)CC1 ZINC000408068713 252219525 /nfs/dbraw/zinc/21/95/25/252219525.db2.gz JGTVGPDFYIZENU-SNVBAGLBSA-N 1 2 281.378 -1.534 20 0 CAADLO O=C(CO)N1CCN(CC[NH+]2CCOCC2)CC1 ZINC000408058989 252219810 /nfs/dbraw/zinc/21/98/10/252219810.db2.gz FITDMBFYFQYUHX-UHFFFAOYSA-N 1 2 257.334 -1.545 20 0 CAADLO O=C(CO)N1CC[NH+](CCN2CCOCC2)CC1 ZINC000408058989 252219813 /nfs/dbraw/zinc/21/98/13/252219813.db2.gz FITDMBFYFQYUHX-UHFFFAOYSA-N 1 2 257.334 -1.545 20 0 CAADLO NS(=O)(=O)[C@@H]1CCC[N@H+](CC(=O)N2CCC2)C1 ZINC000408196529 252226970 /nfs/dbraw/zinc/22/69/70/252226970.db2.gz DCQKNLOUCAFUOT-SECBINFHSA-N 1 2 261.347 -1.028 20 0 CAADLO NS(=O)(=O)[C@@H]1CCC[N@@H+](CC(=O)N2CCC2)C1 ZINC000408196529 252226973 /nfs/dbraw/zinc/22/69/73/252226973.db2.gz DCQKNLOUCAFUOT-SECBINFHSA-N 1 2 261.347 -1.028 20 0 CAADLO CNS(=O)(=O)NC1CC[NH+](CC(=O)NC2CC2)CC1 ZINC000408068060 252219975 /nfs/dbraw/zinc/21/99/75/252219975.db2.gz RCCNIWOOLAPOQE-UHFFFAOYSA-N 1 2 290.389 -1.217 20 0 CAADLO O=C(C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1)N1CCOCC1 ZINC000408058341 252220023 /nfs/dbraw/zinc/22/00/23/252220023.db2.gz ASYHIIVNBPIJRB-GFCCVEGCSA-N 1 2 297.355 -1.222 20 0 CAADLO C[C@H]1COCC[N@@H+]1CCNC(=O)[C@H]1CNC(=O)C1 ZINC000408079332 252221528 /nfs/dbraw/zinc/22/15/28/252221528.db2.gz HHZPRZASKARZKB-VHSXEESVSA-N 1 2 255.318 -1.041 20 0 CAADLO C[C@H]1COCC[N@H+]1CCNC(=O)[C@H]1CNC(=O)C1 ZINC000408079332 252221535 /nfs/dbraw/zinc/22/15/35/252221535.db2.gz HHZPRZASKARZKB-VHSXEESVSA-N 1 2 255.318 -1.041 20 0 CAADLO COC(=O)C1(O)CC[NH+](CC(=O)N2CCOCC2)CC1 ZINC000408077649 252221981 /nfs/dbraw/zinc/22/19/81/252221981.db2.gz AHORLPGJIDMQHS-UHFFFAOYSA-N 1 2 286.328 -1.155 20 0 CAADLO C[C@@H]1CN(C(=O)CS(=O)(=O)N(C)C)CC[N@@H+]1CCO ZINC000408375418 252237872 /nfs/dbraw/zinc/23/78/72/252237872.db2.gz OOZIWTWDJLFZBP-SNVBAGLBSA-N 1 2 293.389 -1.597 20 0 CAADLO C[C@@H]1CN(C(=O)CS(=O)(=O)N(C)C)CC[N@H+]1CCO ZINC000408375418 252237876 /nfs/dbraw/zinc/23/78/76/252237876.db2.gz OOZIWTWDJLFZBP-SNVBAGLBSA-N 1 2 293.389 -1.597 20 0 CAADLO C[C@@H](C(=O)N(C)C)S(=O)(=O)N1CC[NH+](CCO)CC1 ZINC000408375372 252238110 /nfs/dbraw/zinc/23/81/10/252238110.db2.gz OLBIORZTIYJKID-JTQLQIEISA-N 1 2 293.389 -1.597 20 0 CAADLO CNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCN2C(=O)NC[C@@H]2C1 ZINC000408384779 252238448 /nfs/dbraw/zinc/23/84/48/252238448.db2.gz IEBIYMOOELIDNP-HTQZYQBOSA-N 1 2 269.305 -1.460 20 0 CAADLO CNC(=O)NC(=O)[C@@H](C)[N@H+]1CCN2C(=O)NC[C@@H]2C1 ZINC000408384779 252238451 /nfs/dbraw/zinc/23/84/51/252238451.db2.gz IEBIYMOOELIDNP-HTQZYQBOSA-N 1 2 269.305 -1.460 20 0 CAADLO C[C@H]1CN(C(=O)CS(=O)(=O)N(C)C)CC[N@@H+]1CCO ZINC000408375416 252238486 /nfs/dbraw/zinc/23/84/86/252238486.db2.gz OOZIWTWDJLFZBP-JTQLQIEISA-N 1 2 293.389 -1.597 20 0 CAADLO C[C@H]1CN(C(=O)CS(=O)(=O)N(C)C)CC[N@H+]1CCO ZINC000408375416 252238490 /nfs/dbraw/zinc/23/84/90/252238490.db2.gz OOZIWTWDJLFZBP-JTQLQIEISA-N 1 2 293.389 -1.597 20 0 CAADLO C[C@H](C(=O)N(C)C)S(=O)(=O)N1CC[NH+](CCO)CC1 ZINC000408375374 252238614 /nfs/dbraw/zinc/23/86/14/252238614.db2.gz OLBIORZTIYJKID-SNVBAGLBSA-N 1 2 293.389 -1.597 20 0 CAADLO C[C@@H](O)C[NH+]1CCN(C(=O)CS(=O)(=O)N(C)C)CC1 ZINC000408438491 252239144 /nfs/dbraw/zinc/23/91/44/252239144.db2.gz IPNNJLOVPSJNDX-SNVBAGLBSA-N 1 2 293.389 -1.597 20 0 CAADLO C[C@@H]1C[N@H+](CCN2CCCS2(=O)=O)C[C@H](C(N)=O)O1 ZINC000408415934 252239851 /nfs/dbraw/zinc/23/98/51/252239851.db2.gz LPHAGRGOJRLUMV-NXEZZACHSA-N 1 2 291.373 -1.404 20 0 CAADLO C[C@@H]1C[N@@H+](CCN2CCCS2(=O)=O)C[C@H](C(N)=O)O1 ZINC000408415934 252239855 /nfs/dbraw/zinc/23/98/55/252239855.db2.gz LPHAGRGOJRLUMV-NXEZZACHSA-N 1 2 291.373 -1.404 20 0 CAADLO CC[C@H](C(N)=O)[NH+]1CCC(NS(=O)(=O)NC)CC1 ZINC000408411368 252240247 /nfs/dbraw/zinc/24/02/47/252240247.db2.gz GOBRRCGQBLZSCV-SECBINFHSA-N 1 2 278.378 -1.232 20 0 CAADLO COC(=O)C1(C[NH+]2CCN(S(N)(=O)=O)CC2)CC1 ZINC000408450809 252241261 /nfs/dbraw/zinc/24/12/61/252241261.db2.gz GMUVFEOAUSTIES-UHFFFAOYSA-N 1 2 277.346 -1.239 20 0 CAADLO COC(=O)[C@]1(NC(=O)[C@@H]2C[N@H+](C)CCO2)CCOC1 ZINC000408446848 252241518 /nfs/dbraw/zinc/24/15/18/252241518.db2.gz RJZMEIOLLSNVLZ-CABZTGNLSA-N 1 2 272.301 -1.235 20 0 CAADLO COC(=O)[C@]1(NC(=O)[C@@H]2C[N@@H+](C)CCO2)CCOC1 ZINC000408446848 252241521 /nfs/dbraw/zinc/24/15/21/252241521.db2.gz RJZMEIOLLSNVLZ-CABZTGNLSA-N 1 2 272.301 -1.235 20 0 CAADLO CNS(=O)(=O)N1CC[NH+]([C@H](C)C(=O)N(C)C)CC1 ZINC000408196774 252227185 /nfs/dbraw/zinc/22/71/85/252227185.db2.gz FNLDKIIMBMQNOH-SECBINFHSA-N 1 2 278.378 -1.455 20 0 CAADLO CS(=O)(=O)NCC[N@@H+]1CCSC[C@H]1CO ZINC000408181109 252227274 /nfs/dbraw/zinc/22/72/74/252227274.db2.gz AQWMSTLIHYJIRP-MRVPVSSYSA-N 1 2 254.377 -1.055 20 0 CAADLO CS(=O)(=O)NCC[N@H+]1CCSC[C@H]1CO ZINC000408181109 252227277 /nfs/dbraw/zinc/22/72/77/252227277.db2.gz AQWMSTLIHYJIRP-MRVPVSSYSA-N 1 2 254.377 -1.055 20 0 CAADLO COC(=O)[C@](C)(O)C[N@@H+]1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC000408182947 252227360 /nfs/dbraw/zinc/22/73/60/252227360.db2.gz NKBMNWXMUSRZLT-GXSJLCMTSA-N 1 2 294.373 -1.124 20 0 CAADLO COC(=O)[C@](C)(O)C[N@H+]1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC000408182947 252227365 /nfs/dbraw/zinc/22/73/65/252227365.db2.gz NKBMNWXMUSRZLT-GXSJLCMTSA-N 1 2 294.373 -1.124 20 0 CAADLO CNS(=O)(=O)NC1CC[NH+](Cc2cn(C)nn2)CC1 ZINC000408226241 252228799 /nfs/dbraw/zinc/22/87/99/252228799.db2.gz OJBIXWBZHSZMNK-UHFFFAOYSA-N 1 2 288.377 -1.167 20 0 CAADLO CNC(=O)C1CN(C(=O)[C@H](C)[NH+]2CCN(C)CC2)C1 ZINC000408268781 252232288 /nfs/dbraw/zinc/23/22/88/252232288.db2.gz ORLZWFVUOMSMLU-JTQLQIEISA-N 1 2 268.361 -1.173 20 0 CAADLO CC(=O)N1CC(C(=O)N2CC[NH+](C(C)(C)C(N)=O)CC2)C1 ZINC000408286084 252233759 /nfs/dbraw/zinc/23/37/59/252233759.db2.gz JSQLYNKYEPSGGU-UHFFFAOYSA-N 1 2 296.371 -1.127 20 0 CAADLO CN1C[C@H](C(=O)N2CC[NH+](C(C)(C)C(N)=O)CC2)CC1=O ZINC000408322171 252234566 /nfs/dbraw/zinc/23/45/66/252234566.db2.gz XPFNGNJAUDIRSH-SNVBAGLBSA-N 1 2 296.371 -1.127 20 0 CAADLO C[C@H](O)C[NH+]1CCN(C(=O)CS(=O)(=O)N(C)C)CC1 ZINC000408373925 252236462 /nfs/dbraw/zinc/23/64/62/252236462.db2.gz IPNNJLOVPSJNDX-JTQLQIEISA-N 1 2 293.389 -1.597 20 0 CAADLO C[C@H]1CN(S(=O)(=O)N2CCOCC2)CC[N@@H+]1CCO ZINC000408365002 252236947 /nfs/dbraw/zinc/23/69/47/252236947.db2.gz DQLOQKWKKVNTEQ-NSHDSACASA-N 1 2 293.389 -1.438 20 0 CAADLO C[C@H]1CN(S(=O)(=O)N2CCOCC2)CC[N@H+]1CCO ZINC000408365002 252236950 /nfs/dbraw/zinc/23/69/50/252236950.db2.gz DQLOQKWKKVNTEQ-NSHDSACASA-N 1 2 293.389 -1.438 20 0 CAADLO CNS(=O)(=O)CC(=O)N1CC[NH+](C[C@H](C)O)CC1 ZINC000408373561 252237104 /nfs/dbraw/zinc/23/71/04/252237104.db2.gz HDDPXVTYJCDIJP-VIFPVBQESA-N 1 2 279.362 -1.939 20 0 CAADLO CN(C)[C@H](C(=O)N[C@@H]1CC(=O)N(C)C1=O)c1c[nH+]cn1C ZINC000516192568 252254518 /nfs/dbraw/zinc/25/45/18/252254518.db2.gz FCUSKDNMTKHSPH-KCJUWKMLSA-N 1 2 293.327 -1.104 20 0 CAADLO CN(C)[C@H](C(=O)N[C@H]1CC(=O)N(C)C1=O)c1c[nH+]cn1C ZINC000516192569 252254685 /nfs/dbraw/zinc/25/46/85/252254685.db2.gz FCUSKDNMTKHSPH-KWQFWETISA-N 1 2 293.327 -1.104 20 0 CAADLO C[NH+]1CCN(C(=O)C(=O)N(CCO)CC(F)F)CC1 ZINC000410862368 252243901 /nfs/dbraw/zinc/24/39/01/252243901.db2.gz GAQMKMNBMOUWFX-UHFFFAOYSA-N 1 2 279.287 -1.154 20 0 CAADLO CCN1CCN(C(=O)C(=O)N2CC[NH+](C)CC2)[C@H](C)C1=O ZINC000410722674 252243964 /nfs/dbraw/zinc/24/39/64/252243964.db2.gz PSUJUSKCKOKPIH-LLVKDONJSA-N 1 2 296.371 -1.160 20 0 CAADLO COCCCN(CCO)C(=O)C(=O)N1CC[NH+](C)CC1 ZINC000410897273 252244258 /nfs/dbraw/zinc/24/42/58/252244258.db2.gz AYPFIOZBEBASGJ-UHFFFAOYSA-N 1 2 287.360 -1.382 20 0 CAADLO C[C@@H](O)C[C@@H]1COCCN1C(=O)C(=O)N1CC[NH+](C)CC1 ZINC000410997924 252244465 /nfs/dbraw/zinc/24/44/65/252244465.db2.gz MFAFLHOGXRULEZ-VXGBXAGGSA-N 1 2 299.371 -1.241 20 0 CAADLO C[C@H](CO)N(C[C@H](C)O)C(=O)C(=O)N1CC[NH+](C)CC1 ZINC000410865004 252244655 /nfs/dbraw/zinc/24/46/55/252244655.db2.gz NUDBYYRCUIMURB-MNOVXSKESA-N 1 2 287.360 -1.649 20 0 CAADLO CCN1CCN(C(=O)C(=O)N2CC[NH+](C)CC2)[C@@H](C)C1=O ZINC000410722677 252244679 /nfs/dbraw/zinc/24/46/79/252244679.db2.gz PSUJUSKCKOKPIH-NSHDSACASA-N 1 2 296.371 -1.160 20 0 CAADLO C[C@H]1[C@H](CO)CCN1C(=O)C(=O)N1CC[NH+](C)CC1 ZINC000410742074 252244808 /nfs/dbraw/zinc/24/48/08/252244808.db2.gz HIIZBEHACHJZSV-QWRGUYRKSA-N 1 2 269.345 -1.010 20 0 CAADLO C[C@H]1CCN(C(=O)C(=O)N2CC[NH+](C)CC2)[C@@H]1CO ZINC000410670733 252244941 /nfs/dbraw/zinc/24/49/41/252244941.db2.gz FNSGXLFZQQHQEL-WDEREUQCSA-N 1 2 269.345 -1.010 20 0 CAADLO C[C@H]1CCN(C(=O)C(=O)N2CC[NH+](C)CC2)[C@H]1CO ZINC000410670731 252245053 /nfs/dbraw/zinc/24/50/53/252245053.db2.gz FNSGXLFZQQHQEL-QWRGUYRKSA-N 1 2 269.345 -1.010 20 0 CAADLO C[C@@H]1CN(C(=O)C(=O)N2CC[NH+](C)CC2)C[C@@H](CO)O1 ZINC000410980811 252245098 /nfs/dbraw/zinc/24/50/98/252245098.db2.gz NHQRJGGICMXHRE-MNOVXSKESA-N 1 2 285.344 -1.631 20 0 CAADLO C[C@@H]1CN(C(=O)C(=O)N2CC[NH+](C)CC2)CC(=O)N1C ZINC000410677541 252245195 /nfs/dbraw/zinc/24/51/95/252245195.db2.gz SEHSXBYALSQGJF-SNVBAGLBSA-N 1 2 282.344 -1.551 20 0 CAADLO CC[NH+]1CCN(C(=O)C(=O)N2CCO[C@@H]([C@H](C)O)C2)CC1 ZINC000414587005 252245491 /nfs/dbraw/zinc/24/54/91/252245491.db2.gz LUFPSOLXZHXOLA-NWDGAFQWSA-N 1 2 299.371 -1.241 20 0 CAADLO COC(=O)[C@H]1CNC(=O)CN1Cc1c[nH+]cn1C ZINC000447921391 252249115 /nfs/dbraw/zinc/24/91/15/252249115.db2.gz KKNMFQOZQJSNOZ-SECBINFHSA-N 1 2 252.274 -1.107 20 0 CAADLO CC1(C)C[NH+](CC(=O)N2CCN(CC(N)=O)C(=O)C2)C1 ZINC000514738402 252250642 /nfs/dbraw/zinc/25/06/42/252250642.db2.gz HKTUJNCUNGMCAP-UHFFFAOYSA-N 1 2 282.344 -1.516 20 0 CAADLO COCCN1CCN(C(=O)[C@@H]2COCC[NH2+]2)CC1=O ZINC000424169532 532956460 /nfs/dbraw/zinc/95/64/60/532956460.db2.gz IHEKDOJGLWZBNS-JTQLQIEISA-N 1 2 271.317 -1.708 20 0 CAADLO COCC(=O)NC1CN(C(=O)Cc2c[nH+]cn2C)C1 ZINC000514624639 252250953 /nfs/dbraw/zinc/25/09/53/252250953.db2.gz MGVVQLGFUIIHGE-UHFFFAOYSA-N 1 2 266.301 -1.064 20 0 CAADLO O=C1C[C@@H]([N@@H+]2CCN3C(=O)OCC[C@H]3C2)C(=O)N1 ZINC000496128996 296342923 /nfs/dbraw/zinc/34/29/23/296342923.db2.gz MEIOVQWHOYPSOG-JGVFFNPUSA-N 1 2 253.258 -1.072 20 0 CAADLO O=C1C[C@@H]([N@H+]2CCN3C(=O)OCC[C@H]3C2)C(=O)N1 ZINC000496128996 296342924 /nfs/dbraw/zinc/34/29/24/296342924.db2.gz MEIOVQWHOYPSOG-JGVFFNPUSA-N 1 2 253.258 -1.072 20 0 CAADLO COCCN1C[C@@H](C(=O)NCC[NH+]2CCOCC2)CC1=O ZINC000170581174 532989849 /nfs/dbraw/zinc/98/98/49/532989849.db2.gz LEVSANUVUAXCPW-LBPRGKRZSA-N 1 2 299.371 -1.070 20 0 CAADLO COCCNC(=O)CNC(=O)CN1CC[NH2+]CC1=O ZINC000429769238 533000118 /nfs/dbraw/zinc/00/01/18/533000118.db2.gz RQEOANCJQVUTHI-UHFFFAOYSA-N 1 2 272.305 -2.703 20 0 CAADLO COCCNC(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000434196052 533005127 /nfs/dbraw/zinc/00/51/27/533005127.db2.gz KSWJCBSKPWKBMN-NSHDSACASA-N 1 2 275.349 -1.033 20 0 CAADLO COC(=O)[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)CCO1 ZINC000112671912 533012623 /nfs/dbraw/zinc/01/26/23/533012623.db2.gz DRTNDCRJTCJNGV-QMMMGPOBSA-N 1 2 271.273 -1.588 20 0 CAADLO COC(=O)[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)CCO1 ZINC000112671912 533012627 /nfs/dbraw/zinc/01/26/27/533012627.db2.gz DRTNDCRJTCJNGV-QMMMGPOBSA-N 1 2 271.273 -1.588 20 0 CAADLO COC(=O)[C@@H]1CNC(=O)CN1C(=O)C=Cc1c[nH]c[nH+]1 ZINC000493515929 533017979 /nfs/dbraw/zinc/01/79/79/533017979.db2.gz DDJZIKIBLCAGIT-HPOULIHZSA-N 1 2 278.268 -1.077 20 0 CAADLO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+]1CCCOC(=O)NC(N)=O ZINC000492773830 533041027 /nfs/dbraw/zinc/04/10/27/533041027.db2.gz TXEMRBKOAXTTAP-SFYZADRCSA-N 1 2 289.288 -1.210 20 0 CAADLO COC(=O)[C@@H]1C[C@@H](O)C[N@H+]1CCCOC(=O)NC(N)=O ZINC000492773830 533041037 /nfs/dbraw/zinc/04/10/37/533041037.db2.gz TXEMRBKOAXTTAP-SFYZADRCSA-N 1 2 289.288 -1.210 20 0 CAADLO COCCOCC(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000434483527 533046711 /nfs/dbraw/zinc/04/67/11/533046711.db2.gz VAVPSLLNLIDSOL-LBPRGKRZSA-N 1 2 290.360 -1.199 20 0 CAADLO CO[C@H](C)C(=O)NCC(=O)NCC[NH+]1CCOCC1 ZINC000347889495 533057080 /nfs/dbraw/zinc/05/70/80/533057080.db2.gz FYAUMDNALIGUEE-SNVBAGLBSA-N 1 2 273.333 -1.414 20 0 CAADLO COCCOCCC(=O)NCCC[N@@H+]1CCNC(=O)C1 ZINC000344686851 533057605 /nfs/dbraw/zinc/05/76/05/533057605.db2.gz YVKRIINKSYKYBG-UHFFFAOYSA-N 1 2 287.360 -1.022 20 0 CAADLO COCCOCCC(=O)NCCC[N@H+]1CCNC(=O)C1 ZINC000344686851 533057610 /nfs/dbraw/zinc/05/76/10/533057610.db2.gz YVKRIINKSYKYBG-UHFFFAOYSA-N 1 2 287.360 -1.022 20 0 CAADLO COCC(=O)N1CCN(C(=O)CN2CC[NH2+]CC2=O)CC1 ZINC000430140243 533058070 /nfs/dbraw/zinc/05/80/70/533058070.db2.gz STXJOJKRPIDAGB-UHFFFAOYSA-N 1 2 298.343 -2.265 20 0 CAADLO COC(=O)[C@@H]1C[C@H](O)C[N@@H+]1CCCS(=O)(=O)N(C)C ZINC000352044924 533065190 /nfs/dbraw/zinc/06/51/90/533065190.db2.gz MFVGVSSGXUKQLP-UWVGGRQHSA-N 1 2 294.373 -1.124 20 0 CAADLO COC(=O)[C@@H]1C[C@H](O)C[N@H+]1CCCS(=O)(=O)N(C)C ZINC000352044924 533065195 /nfs/dbraw/zinc/06/51/95/533065195.db2.gz MFVGVSSGXUKQLP-UWVGGRQHSA-N 1 2 294.373 -1.124 20 0 CAADLO COC(=O)[C@@H]1C[C@H](O)C[N@@H+]1CCCOC(=O)NC(N)=O ZINC000492773831 533065593 /nfs/dbraw/zinc/06/55/93/533065593.db2.gz TXEMRBKOAXTTAP-YUMQZZPRSA-N 1 2 289.288 -1.210 20 0 CAADLO COC(=O)[C@@H]1C[C@H](O)C[N@H+]1CCCOC(=O)NC(N)=O ZINC000492773831 533065596 /nfs/dbraw/zinc/06/55/96/533065596.db2.gz TXEMRBKOAXTTAP-YUMQZZPRSA-N 1 2 289.288 -1.210 20 0 CAADLO COc1cc[nH+]cc1NC(=O)C(=O)N(C)C[C@H](O)CO ZINC000441718703 533085551 /nfs/dbraw/zinc/08/55/51/533085551.db2.gz SZTFXOXPPRJZPA-QMMMGPOBSA-N 1 2 283.284 -1.160 20 0 CAADLO O=C1NC[C@@H]2C[N@H+]([C@H]3CCCNC3=O)CCN2C1=O ZINC000328616741 296380514 /nfs/dbraw/zinc/38/05/14/296380514.db2.gz SUMWCFVFXJKPKC-BDAKNGLRSA-N 1 2 266.301 -1.252 20 0 CAADLO O=C1NC[C@@H]2C[N@@H+]([C@H]3CCCNC3=O)CCN2C1=O ZINC000328616741 296380515 /nfs/dbraw/zinc/38/05/15/296380515.db2.gz SUMWCFVFXJKPKC-BDAKNGLRSA-N 1 2 266.301 -1.252 20 0 CAADLO CNc1[nH+]cnc2c1cnn2Cc1nc(N)nc(N)n1 ZINC000435791048 533090199 /nfs/dbraw/zinc/09/01/99/533090199.db2.gz PEAOOGJLRZCBDH-UHFFFAOYSA-N 1 2 272.276 -1.074 20 0 CAADLO COC(=O)[C@@](C)(O)C[N@@H+]1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC000332672940 533095106 /nfs/dbraw/zinc/09/51/06/533095106.db2.gz IVVZWIVUUNQISU-PELKAZGASA-N 1 2 285.300 -2.447 20 0 CAADLO COC(=O)[C@@](C)(O)C[N@H+]1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC000332672940 533095113 /nfs/dbraw/zinc/09/51/13/533095113.db2.gz IVVZWIVUUNQISU-PELKAZGASA-N 1 2 285.300 -2.447 20 0 CAADLO CO[C@H](C)CS(=O)(=O)N1CC[NH+](CCO)CC1 ZINC000192886038 533100717 /nfs/dbraw/zinc/10/07/17/533100717.db2.gz DQHVTWKGKZOXFL-SNVBAGLBSA-N 1 2 266.363 -1.039 20 0 CAADLO C[C@@](O)(CNS(=O)(=O)C1COC1)C[NH+]1CCOCC1 ZINC000574861141 335052718 /nfs/dbraw/zinc/05/27/18/335052718.db2.gz MSVAQEJPCMSHBQ-LLVKDONJSA-N 1 2 294.373 -1.612 20 0 CAADLO COCCOC[C@H](C)NC(=O)CN1CC[NH2+]CC1=O ZINC000429997514 533117717 /nfs/dbraw/zinc/11/77/17/533117717.db2.gz OSRNIVHBJHZUNJ-JTQLQIEISA-N 1 2 273.333 -1.414 20 0 CAADLO COC(=O)[C@@]1(NC(=O)CN2CC[NH2+]CC2=O)CCOC1 ZINC000430067644 533145040 /nfs/dbraw/zinc/14/50/40/533145040.db2.gz CXNXDGREDTWQGK-GFCCVEGCSA-N 1 2 285.300 -2.134 20 0 CAADLO CC(=O)c1nc(C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@@H]32)cn1C ZINC001193840325 781978451 /nfs/dbraw/zinc/97/84/51/781978451.db2.gz DZOXSLAERWQOBG-ATZCPNFKSA-N 1 2 293.331 -2.245 20 0 CAADLO CC[N@@H+]1CCOC[C@H]1C(=O)NCCCNS(C)(=O)=O ZINC000373215652 285352756 /nfs/dbraw/zinc/35/27/56/285352756.db2.gz JNOPABBBSWPDOE-JTQLQIEISA-N 1 2 293.389 -1.237 20 0 CAADLO CC[N@H+]1CCOC[C@H]1C(=O)NCCCNS(C)(=O)=O ZINC000373215652 285352757 /nfs/dbraw/zinc/35/27/57/285352757.db2.gz JNOPABBBSWPDOE-JTQLQIEISA-N 1 2 293.389 -1.237 20 0 CAADLO CC[N@@H+]1CCOC[C@H]1C(=O)NCCNS(C)(=O)=O ZINC000371425356 285352786 /nfs/dbraw/zinc/35/27/86/285352786.db2.gz SCJSYXPCDWBZLJ-VIFPVBQESA-N 1 2 279.362 -1.628 20 0 CAADLO CC[N@H+]1CCOC[C@H]1C(=O)NCCNS(C)(=O)=O ZINC000371425356 285352788 /nfs/dbraw/zinc/35/27/88/285352788.db2.gz SCJSYXPCDWBZLJ-VIFPVBQESA-N 1 2 279.362 -1.628 20 0 CAADLO CC[N@@H+]1CCOC[C@@H]1C(=O)NCCCNS(C)(=O)=O ZINC000373215653 285347755 /nfs/dbraw/zinc/34/77/55/285347755.db2.gz JNOPABBBSWPDOE-SNVBAGLBSA-N 1 2 293.389 -1.237 20 0 CAADLO CC[N@H+]1CCOC[C@@H]1C(=O)NCCCNS(C)(=O)=O ZINC000373215653 285347758 /nfs/dbraw/zinc/34/77/58/285347758.db2.gz JNOPABBBSWPDOE-SNVBAGLBSA-N 1 2 293.389 -1.237 20 0 CAADLO CC[N@@H+]1CCOC[C@@H]1C(=O)NCCNS(C)(=O)=O ZINC000371425353 285347825 /nfs/dbraw/zinc/34/78/25/285347825.db2.gz SCJSYXPCDWBZLJ-SECBINFHSA-N 1 2 279.362 -1.628 20 0 CAADLO CC[N@H+]1CCOC[C@@H]1C(=O)NCCNS(C)(=O)=O ZINC000371425353 285347828 /nfs/dbraw/zinc/34/78/28/285347828.db2.gz SCJSYXPCDWBZLJ-SECBINFHSA-N 1 2 279.362 -1.628 20 0 CAADLO C[C@@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCS(C)(=O)=O)C1 ZINC001194184512 781983789 /nfs/dbraw/zinc/98/37/89/781983789.db2.gz HNNNONZPPHIQLP-OPRDCNLKSA-N 1 2 294.373 -2.037 20 0 CAADLO C[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCS(C)(=O)=O)C1 ZINC001194184512 781983797 /nfs/dbraw/zinc/98/37/97/781983797.db2.gz HNNNONZPPHIQLP-OPRDCNLKSA-N 1 2 294.373 -2.037 20 0 CAADLO C[C@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCS(C)(=O)=O)C1 ZINC001194184510 781983863 /nfs/dbraw/zinc/98/38/63/781983863.db2.gz HNNNONZPPHIQLP-IVZWLZJFSA-N 1 2 294.373 -2.037 20 0 CAADLO C[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCS(C)(=O)=O)C1 ZINC001194184510 781983870 /nfs/dbraw/zinc/98/38/70/781983870.db2.gz HNNNONZPPHIQLP-IVZWLZJFSA-N 1 2 294.373 -2.037 20 0 CAADLO CS(=O)(=O)CCC(=O)N[C@@H]1C[N@H+](CCCO)C[C@H]1O ZINC001194184353 781984810 /nfs/dbraw/zinc/98/48/10/781984810.db2.gz CYRJNJCDCMPIQP-NXEZZACHSA-N 1 2 294.373 -2.035 20 0 CAADLO CS(=O)(=O)CCC(=O)N[C@@H]1C[N@@H+](CCCO)C[C@H]1O ZINC001194184353 781984812 /nfs/dbraw/zinc/98/48/12/781984812.db2.gz CYRJNJCDCMPIQP-NXEZZACHSA-N 1 2 294.373 -2.035 20 0 CAADLO COC[C@@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cn[nH]n2)C1 ZINC001194376117 781987574 /nfs/dbraw/zinc/98/75/74/781987574.db2.gz QPXNVOIUBDIVFN-FXBDTBDDSA-N 1 2 285.304 -2.413 20 0 CAADLO COC[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cn[nH]n2)C1 ZINC001194376117 781987579 /nfs/dbraw/zinc/98/75/79/781987579.db2.gz QPXNVOIUBDIVFN-FXBDTBDDSA-N 1 2 285.304 -2.413 20 0 CAADLO COC[C@@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn[nH]2)C1 ZINC001194376117 781987585 /nfs/dbraw/zinc/98/75/85/781987585.db2.gz QPXNVOIUBDIVFN-FXBDTBDDSA-N 1 2 285.304 -2.413 20 0 CAADLO COC[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn[nH]2)C1 ZINC001194376117 781987589 /nfs/dbraw/zinc/98/75/89/781987589.db2.gz QPXNVOIUBDIVFN-FXBDTBDDSA-N 1 2 285.304 -2.413 20 0 CAADLO COC[C@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cn[nH]n2)C1 ZINC001194376118 781987696 /nfs/dbraw/zinc/98/76/96/781987696.db2.gz QPXNVOIUBDIVFN-SZEHBUNVSA-N 1 2 285.304 -2.413 20 0 CAADLO COC[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cn[nH]n2)C1 ZINC001194376118 781987704 /nfs/dbraw/zinc/98/77/04/781987704.db2.gz QPXNVOIUBDIVFN-SZEHBUNVSA-N 1 2 285.304 -2.413 20 0 CAADLO COC[C@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn[nH]2)C1 ZINC001194376118 781987711 /nfs/dbraw/zinc/98/77/11/781987711.db2.gz QPXNVOIUBDIVFN-SZEHBUNVSA-N 1 2 285.304 -2.413 20 0 CAADLO COC[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn[nH]2)C1 ZINC001194376118 781987718 /nfs/dbraw/zinc/98/77/18/781987718.db2.gz QPXNVOIUBDIVFN-SZEHBUNVSA-N 1 2 285.304 -2.413 20 0 CAADLO CNC(=O)NC(=O)C[N@@H+]1CCCN(C(=O)COC)CC1 ZINC001194581528 781989347 /nfs/dbraw/zinc/98/93/47/781989347.db2.gz OJWDWZASFLKJMO-UHFFFAOYSA-N 1 2 286.332 -1.377 20 0 CAADLO CNC(=O)NC(=O)C[N@H+]1CCCN(C(=O)COC)CC1 ZINC001194581528 781989357 /nfs/dbraw/zinc/98/93/57/781989357.db2.gz OJWDWZASFLKJMO-UHFFFAOYSA-N 1 2 286.332 -1.377 20 0 CAADLO COCC(=O)N1CCC[N@H+](CCNS(C)(=O)=O)CC1 ZINC001194580430 781989556 /nfs/dbraw/zinc/98/95/56/781989556.db2.gz DOMCSPYKUGFZQY-UHFFFAOYSA-N 1 2 293.389 -1.284 20 0 CAADLO COCC(=O)N1CCC[N@@H+](CCNS(C)(=O)=O)CC1 ZINC001194580430 781989563 /nfs/dbraw/zinc/98/95/63/781989563.db2.gz DOMCSPYKUGFZQY-UHFFFAOYSA-N 1 2 293.389 -1.284 20 0 CAADLO COCC(=O)N1CCC[N@@H+]([C@H](C)C(=O)NC(N)=O)CC1 ZINC001194590233 781990991 /nfs/dbraw/zinc/99/09/91/781990991.db2.gz KXMHSEKZJGMJFL-SECBINFHSA-N 1 2 286.332 -1.250 20 0 CAADLO COCC(=O)N1CCC[N@H+]([C@H](C)C(=O)NC(N)=O)CC1 ZINC001194590233 781991001 /nfs/dbraw/zinc/99/10/01/781991001.db2.gz KXMHSEKZJGMJFL-SECBINFHSA-N 1 2 286.332 -1.250 20 0 CAADLO CC[C@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2(COC)CC2)C1 ZINC001194688702 781991505 /nfs/dbraw/zinc/99/15/05/781991505.db2.gz XBHQSDIMUDJJCT-GMTAPVOTSA-N 1 2 299.371 -1.162 20 0 CAADLO CC[C@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)C2(COC)CC2)C1 ZINC001194688702 781991509 /nfs/dbraw/zinc/99/15/09/781991509.db2.gz XBHQSDIMUDJJCT-GMTAPVOTSA-N 1 2 299.371 -1.162 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2(COC)CC2)C1 ZINC001194681175 781991525 /nfs/dbraw/zinc/99/15/25/781991525.db2.gz GWKHQJQQINOHCD-GMTAPVOTSA-N 1 2 299.371 -1.291 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)C2(COC)CC2)C1 ZINC001194681175 781991534 /nfs/dbraw/zinc/99/15/34/781991534.db2.gz GWKHQJQQINOHCD-GMTAPVOTSA-N 1 2 299.371 -1.291 20 0 CAADLO COCC1(C(=O)N[C@@H]2C[N@H+](CC(=O)N(C)C)C[C@H]2O)CC1 ZINC001194660996 781991633 /nfs/dbraw/zinc/99/16/33/781991633.db2.gz HIUFXRKUENRKDM-GHMZBOCLSA-N 1 2 299.371 -1.338 20 0 CAADLO COCC1(C(=O)N[C@@H]2C[N@@H+](CC(=O)N(C)C)C[C@H]2O)CC1 ZINC001194660996 781991644 /nfs/dbraw/zinc/99/16/44/781991644.db2.gz HIUFXRKUENRKDM-GHMZBOCLSA-N 1 2 299.371 -1.338 20 0 CAADLO CC(=O)NCC(=O)N1CCC[N@@H+]([C@H](C)C(N)=O)CC1 ZINC001194674391 781992221 /nfs/dbraw/zinc/99/22/21/781992221.db2.gz UIRBKWHGWBEUNH-SECBINFHSA-N 1 2 270.333 -1.469 20 0 CAADLO CC(=O)NCC(=O)N1CCC[N@H+]([C@H](C)C(N)=O)CC1 ZINC001194674391 781992227 /nfs/dbraw/zinc/99/22/27/781992227.db2.gz UIRBKWHGWBEUNH-SECBINFHSA-N 1 2 270.333 -1.469 20 0 CAADLO CC(=O)NCC(=O)N1CCC[N@H+](CC(=O)NC2CC2)CC1 ZINC001194689541 781992615 /nfs/dbraw/zinc/99/26/15/781992615.db2.gz HCNPOLMSRYBJRN-UHFFFAOYSA-N 1 2 296.371 -1.065 20 0 CAADLO CC(=O)NCC(=O)N1CCC[N@@H+](CC(=O)NC2CC2)CC1 ZINC001194689541 781992625 /nfs/dbraw/zinc/99/26/25/781992625.db2.gz HCNPOLMSRYBJRN-UHFFFAOYSA-N 1 2 296.371 -1.065 20 0 CAADLO CC(=O)N[C@H](C)C(=O)N1CCC[N@@H+]([C@H](C)C(N)=O)CC1 ZINC001194740058 781993827 /nfs/dbraw/zinc/99/38/27/781993827.db2.gz YKPWIXNUMAHSEW-NXEZZACHSA-N 1 2 284.360 -1.081 20 0 CAADLO CC(=O)N[C@H](C)C(=O)N1CCC[N@H+]([C@H](C)C(N)=O)CC1 ZINC001194740058 781993839 /nfs/dbraw/zinc/99/38/39/781993839.db2.gz YKPWIXNUMAHSEW-NXEZZACHSA-N 1 2 284.360 -1.081 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCc2ccon2)C1 ZINC001194694104 781993859 /nfs/dbraw/zinc/99/38/59/781993859.db2.gz FSZYIOUDWHFDGN-JMJZKYOTSA-N 1 2 296.327 -1.358 20 0 CAADLO COC(=O)C1(O)CC[NH+](CC(=O)NC(=O)NC2CC2)CC1 ZINC000331566923 533257645 /nfs/dbraw/zinc/25/76/45/533257645.db2.gz TYJDUDXNFFJWMS-UHFFFAOYSA-N 1 2 299.327 -1.026 20 0 CAADLO C[C@@H](C(=O)NC[C@@H]1C[NH+]2CCN1CC2)N1CCOCC1 ZINC000437744540 533274439 /nfs/dbraw/zinc/27/44/39/533274439.db2.gz KIBITZZBOXJWLO-QWHCGFSZSA-N 1 2 282.388 -1.177 20 0 CAADLO C[C@@H](C(=O)NC[C@H]1C[NH+]2CCN1CC2)n1cncn1 ZINC000178721538 533278906 /nfs/dbraw/zinc/27/89/06/533278906.db2.gz FUVVZOFBFJJBSM-QWRGUYRKSA-N 1 2 264.333 -1.045 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCc2ccon2)C1 ZINC001194694104 781993875 /nfs/dbraw/zinc/99/38/75/781993875.db2.gz FSZYIOUDWHFDGN-JMJZKYOTSA-N 1 2 296.327 -1.358 20 0 CAADLO C[C@@H](C(=O)N[C@H]1CN(C)NC1=O)[NH+]1CCSCC1 ZINC000450611199 533310362 /nfs/dbraw/zinc/31/03/62/533310362.db2.gz OPWDTLJGJKDDBM-IUCAKERBSA-N 1 2 272.374 -1.115 20 0 CAADLO COC(=O)[C@H](NC(=O)CN1CC[NH2+]CC1=O)C1CC1 ZINC000430003770 533311459 /nfs/dbraw/zinc/31/14/59/533311459.db2.gz DPXIXYZHELHAEV-LLVKDONJSA-N 1 2 269.301 -1.514 20 0 CAADLO CS(=O)(=O)CCCS(=O)(=O)NCC(F)(F)C[NH3+] ZINC000493681429 533354677 /nfs/dbraw/zinc/35/46/77/533354677.db2.gz NTQBGAWPYHZBGE-UHFFFAOYSA-N 1 2 294.345 -1.066 20 0 CAADLO CC(=O)N[C@@H](C)C(=O)N1CCC[N@@H+]([C@@H]2CCNC2=O)CC1 ZINC001194754712 781993997 /nfs/dbraw/zinc/99/39/97/781993997.db2.gz NCGUAFXYIWQZCZ-CMPLNLGQSA-N 1 2 296.371 -1.066 20 0 CAADLO COC(=O)CCCCNC(=O)CN1CC[NH2+]CC1=O ZINC000429894670 533371680 /nfs/dbraw/zinc/37/16/80/533371680.db2.gz FFMINAQCSAIIML-UHFFFAOYSA-N 1 2 271.317 -1.122 20 0 CAADLO C[C@@H](NC(N)=O)C(=O)N(C)CC[NH+]1CCOCC1 ZINC000171418622 533322821 /nfs/dbraw/zinc/32/28/21/533322821.db2.gz LMFXRNNTVKUGBM-SECBINFHSA-N 1 2 258.322 -1.166 20 0 CAADLO C[C@@H](NC(N)=O)C(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000194327831 533325021 /nfs/dbraw/zinc/32/50/21/533325021.db2.gz GGCFUQUMZSBBKS-DTWKUNHWSA-N 1 2 258.322 -1.120 20 0 CAADLO CC(=O)N[C@@H](C)C(=O)N1CCC[N@H+]([C@@H]2CCNC2=O)CC1 ZINC001194754712 781994007 /nfs/dbraw/zinc/99/40/07/781994007.db2.gz NCGUAFXYIWQZCZ-CMPLNLGQSA-N 1 2 296.371 -1.066 20 0 CAADLO CC(=O)N[C@@H](C)C(=O)N1CCC[N@@H+]([C@H](C)C(N)=O)CC1 ZINC001194740062 781994098 /nfs/dbraw/zinc/99/40/98/781994098.db2.gz YKPWIXNUMAHSEW-VHSXEESVSA-N 1 2 284.360 -1.081 20 0 CAADLO CS(=O)(=O)NCCNC(=O)CN1CC[NH2+]CC1=O ZINC000429828622 533397803 /nfs/dbraw/zinc/39/78/03/533397803.db2.gz TVLVHWGLSOUJBF-UHFFFAOYSA-N 1 2 278.334 -2.916 20 0 CAADLO COC(=O)CCN(C)S(=O)(=O)N1CC[NH+](C)CC1 ZINC000088766732 533407202 /nfs/dbraw/zinc/40/72/02/533407202.db2.gz VZSSPCOINLJFEY-UHFFFAOYSA-N 1 2 279.362 -1.027 20 0 CAADLO CC(=O)N[C@@H](C)C(=O)N1CCC[N@H+]([C@H](C)C(N)=O)CC1 ZINC001194740062 781994103 /nfs/dbraw/zinc/99/41/03/781994103.db2.gz YKPWIXNUMAHSEW-VHSXEESVSA-N 1 2 284.360 -1.081 20 0 CAADLO COC(=O)CCNC(=O)C[N@@H+]1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000347096603 533433829 /nfs/dbraw/zinc/43/38/29/533433829.db2.gz IBDOBSBJRFBNSZ-RKDXNWHRSA-N 1 2 287.316 -1.760 20 0 CAADLO COC(=O)CCNC(=O)C[N@H+]1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000347096603 533433833 /nfs/dbraw/zinc/43/38/33/533433833.db2.gz IBDOBSBJRFBNSZ-RKDXNWHRSA-N 1 2 287.316 -1.760 20 0 CAADLO NC(=O)NC(=O)C[N@@H+]1CCCN(C(=O)[C@H]2CCCO2)CC1 ZINC001194732217 781994127 /nfs/dbraw/zinc/99/41/27/781994127.db2.gz BSRMUTAIOPUIIP-SNVBAGLBSA-N 1 2 298.343 -1.105 20 0 CAADLO NC(=O)NC(=O)C[N@H+]1CCCN(C(=O)[C@H]2CCCO2)CC1 ZINC001194732217 781994129 /nfs/dbraw/zinc/99/41/29/781994129.db2.gz BSRMUTAIOPUIIP-SNVBAGLBSA-N 1 2 298.343 -1.105 20 0 CAADLO COC(=O)[C@H]1C[N@H+](CCN2C(=O)CNC2=O)CCO1 ZINC000112671916 533492988 /nfs/dbraw/zinc/49/29/88/533492988.db2.gz DRTNDCRJTCJNGV-MRVPVSSYSA-N 1 2 271.273 -1.588 20 0 CAADLO COC(=O)[C@H]1C[N@@H+](CCN2C(=O)CNC2=O)CCO1 ZINC000112671916 533492989 /nfs/dbraw/zinc/49/29/89/533492989.db2.gz DRTNDCRJTCJNGV-MRVPVSSYSA-N 1 2 271.273 -1.588 20 0 CAADLO COC(=O)[C@H]1CNC(=O)CN1C(=O)C=Cc1c[nH]c[nH+]1 ZINC000493515925 533495114 /nfs/dbraw/zinc/49/51/14/533495114.db2.gz DDJZIKIBLCAGIT-GKQMSVHHSA-N 1 2 278.268 -1.077 20 0 CAADLO COC(=O)CN(CC[NH+]1CCOCC1)C(=O)[C@H](C)O ZINC000345523920 533495643 /nfs/dbraw/zinc/49/56/43/533495643.db2.gz OBLLUTPPSQVBFC-JTQLQIEISA-N 1 2 274.317 -1.299 20 0 CAADLO COC(=O)[C@H]1CNC(=O)CN1C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493271950 533495752 /nfs/dbraw/zinc/49/57/52/533495752.db2.gz ZOSGGBVVEQHPNM-UFUPEUMYSA-N 1 2 278.268 -1.077 20 0 CAADLO COC(=O)CN(CC[NH+]1CCOCC1)CC(=O)OC ZINC000061876221 533495815 /nfs/dbraw/zinc/49/58/15/533495815.db2.gz KGURQZYHJRJZHA-UHFFFAOYSA-N 1 2 274.317 -1.033 20 0 CAADLO COC(=O)CNC(=O)CC[N@@H+]1CCc2n[nH]nc2C1 ZINC000429285935 533516757 /nfs/dbraw/zinc/51/67/57/533516757.db2.gz HZFZFJIXSKFDJK-UHFFFAOYSA-N 1 2 267.289 -1.158 20 0 CAADLO COC(=O)CNC(=O)CC[N@H+]1CCc2n[nH]nc2C1 ZINC000429285935 533516762 /nfs/dbraw/zinc/51/67/62/533516762.db2.gz HZFZFJIXSKFDJK-UHFFFAOYSA-N 1 2 267.289 -1.158 20 0 CAADLO COC(=O)CNC(=O)C[NH+]1CCC(O)(C(=O)OC)CC1 ZINC000354826206 533519900 /nfs/dbraw/zinc/51/99/00/533519900.db2.gz DQODPOBHWFOPOY-UHFFFAOYSA-N 1 2 288.300 -1.725 20 0 CAADLO C[C@@H](O)C(=O)N1CC[NH+]([C@@H](C)C(=O)N(C)C)CC1 ZINC000152949225 533572875 /nfs/dbraw/zinc/57/28/75/533572875.db2.gz WATTXMMLRDKCGA-VHSXEESVSA-N 1 2 257.334 -1.012 20 0 CAADLO COC(=O)C[C@@H](C)C(=O)N[C@@H](CO)C[NH+]1CCOCC1 ZINC000425283466 533590081 /nfs/dbraw/zinc/59/00/81/533590081.db2.gz BZPSUMRVZAXQNW-GHMZBOCLSA-N 1 2 288.344 -1.005 20 0 CAADLO COC(=O)[C@H]1C[C@H](O)C[N@@H+]1CCC(=O)N1CCOCC1 ZINC000352046581 533548696 /nfs/dbraw/zinc/54/86/96/533548696.db2.gz UTVAZOWFKNEYHT-WDEREUQCSA-N 1 2 286.328 -1.157 20 0 CAADLO COC(=O)[C@H]1C[C@H](O)C[N@H+]1CCC(=O)N1CCOCC1 ZINC000352046581 533548699 /nfs/dbraw/zinc/54/86/99/533548699.db2.gz UTVAZOWFKNEYHT-WDEREUQCSA-N 1 2 286.328 -1.157 20 0 CAADLO COC(=O)[C@H]1C[C@H]1C(=O)N1CC[NH+](CCO)CC1 ZINC000105887941 533552138 /nfs/dbraw/zinc/55/21/38/533552138.db2.gz NOIQYBVEBSMNBT-ZJUUUORDSA-N 1 2 256.302 -1.068 20 0 CAADLO C[C@@H](O)CC[N@@H+]1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 ZINC000425447386 533616132 /nfs/dbraw/zinc/61/61/32/533616132.db2.gz QKMIZUSCHICYEI-SNVBAGLBSA-N 1 2 297.359 -1.281 20 0 CAADLO C[C@@H](O)CC[N@H+]1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 ZINC000425447386 533616137 /nfs/dbraw/zinc/61/61/37/533616137.db2.gz QKMIZUSCHICYEI-SNVBAGLBSA-N 1 2 297.359 -1.281 20 0 CAADLO COC(=O)C[C@@H]1C(=O)NCC[N@H+]1CCOCCO ZINC000352245814 533616922 /nfs/dbraw/zinc/61/69/22/533616922.db2.gz CZEOXJMPOXHLSS-SECBINFHSA-N 1 2 260.290 -1.641 20 0 CAADLO COC(=O)C[C@@H]1C(=O)NCC[N@@H+]1CCOCCO ZINC000352245814 533616929 /nfs/dbraw/zinc/61/69/29/533616929.db2.gz CZEOXJMPOXHLSS-SECBINFHSA-N 1 2 260.290 -1.641 20 0 CAADLO CCOCC(=O)N1CCC[N@H+](CC(=O)NC(N)=O)CC1 ZINC001194747096 781995010 /nfs/dbraw/zinc/99/50/10/781995010.db2.gz SIBVELGIPBXEOO-UHFFFAOYSA-N 1 2 286.332 -1.248 20 0 CAADLO CCOCC(=O)N1CCC[N@@H+](CC(=O)NC(N)=O)CC1 ZINC001194747096 781995012 /nfs/dbraw/zinc/99/50/12/781995012.db2.gz SIBVELGIPBXEOO-UHFFFAOYSA-N 1 2 286.332 -1.248 20 0 CAADLO C[C@@H](CCS(C)(=O)=O)NC(=O)CN1CC[NH2+]CC1=O ZINC000430480964 533646786 /nfs/dbraw/zinc/64/67/86/533646786.db2.gz RXMIBFPOYUGVOD-VIFPVBQESA-N 1 2 291.373 -1.642 20 0 CAADLO C[C@@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2ccnn2C)CC1 ZINC000445165710 533667449 /nfs/dbraw/zinc/66/74/49/533667449.db2.gz STINTHZHRMLKAN-SNVBAGLBSA-N 1 2 295.343 -1.116 20 0 CAADLO C[C@@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2cnn(C)c2)CC1 ZINC000445161092 533667768 /nfs/dbraw/zinc/66/77/68/533667768.db2.gz FAHWYJSHONINMX-SNVBAGLBSA-N 1 2 295.343 -1.116 20 0 CAADLO CC[C@@H](C(=O)N[C@@H](CO)C(N)=O)[N@@H+]1CCO[C@H](CC)C1 ZINC000341744781 130017157 /nfs/dbraw/zinc/01/71/57/130017157.db2.gz IEKGLVHJQPTATN-VWYCJHECSA-N 1 2 287.360 -1.162 20 0 CAADLO CC[C@@H](C(=O)N[C@@H](CO)C(N)=O)[N@H+]1CCO[C@H](CC)C1 ZINC000341744781 130017158 /nfs/dbraw/zinc/01/71/58/130017158.db2.gz IEKGLVHJQPTATN-VWYCJHECSA-N 1 2 287.360 -1.162 20 0 CAADLO CC(C)NC(=O)C[N@H+](C)CC(=O)N1CCNC(=O)CC1 ZINC000341872162 130100090 /nfs/dbraw/zinc/10/00/90/130100090.db2.gz YWRKRYYSNYJMLC-UHFFFAOYSA-N 1 2 284.360 -1.209 20 0 CAADLO CC(C)NC(=O)C[N@@H+](C)CC(=O)N1CCNC(=O)CC1 ZINC000341872162 130100091 /nfs/dbraw/zinc/10/00/91/130100091.db2.gz YWRKRYYSNYJMLC-UHFFFAOYSA-N 1 2 284.360 -1.209 20 0 CAADLO O=C(C[NH+]1CCN(c2ccccn2)CC1)NC(CO)CO ZINC000678346165 545609093 /nfs/dbraw/zinc/60/90/93/545609093.db2.gz QWWVAOLMGNOZAX-UHFFFAOYSA-N 1 2 294.355 -1.327 20 0 CAADLO C[C@H]1COCC[N@@H+]1CCNC(=O)NCCc1nnnn1C ZINC000678505809 545609151 /nfs/dbraw/zinc/60/91/51/545609151.db2.gz KUCYJFPJMGHSIF-JTQLQIEISA-N 1 2 297.363 -1.228 20 0 CAADLO C[C@H]1COCC[N@H+]1CCNC(=O)NCCc1nnnn1C ZINC000678505809 545609154 /nfs/dbraw/zinc/60/91/54/545609154.db2.gz KUCYJFPJMGHSIF-JTQLQIEISA-N 1 2 297.363 -1.228 20 0 CAADLO CCCNC(=O)C[N@@H+]1CCCN(C(=O)CNC(N)=O)CC1 ZINC001194803199 781995658 /nfs/dbraw/zinc/99/56/58/781995658.db2.gz ZNXCVSNBHICAKD-UHFFFAOYSA-N 1 2 299.375 -1.285 20 0 CAADLO CCCNC(=O)C[N@H+]1CCCN(C(=O)CNC(N)=O)CC1 ZINC001194803199 781995661 /nfs/dbraw/zinc/99/56/61/781995661.db2.gz ZNXCVSNBHICAKD-UHFFFAOYSA-N 1 2 299.375 -1.285 20 0 CAADLO CNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H](C)NC(C)=O)CC1 ZINC001194755300 781996116 /nfs/dbraw/zinc/99/61/16/781996116.db2.gz ZLSGFSNTRUQSQR-SNVBAGLBSA-N 1 2 284.360 -1.209 20 0 CAADLO CNC(=O)C[N@H+]1CCCN(C(=O)[C@@H](C)NC(C)=O)CC1 ZINC001194755300 781996122 /nfs/dbraw/zinc/99/61/22/781996122.db2.gz ZLSGFSNTRUQSQR-SNVBAGLBSA-N 1 2 284.360 -1.209 20 0 CAADLO Cn1nncc1C[N@@H+]1CCCN(C(=O)CNC(N)=O)CC1 ZINC001194811637 781996442 /nfs/dbraw/zinc/99/64/42/781996442.db2.gz VIAIMYRDZOONPQ-UHFFFAOYSA-N 1 2 295.347 -1.482 20 0 CAADLO Cn1nncc1C[N@H+]1CCCN(C(=O)CNC(N)=O)CC1 ZINC001194811637 781996445 /nfs/dbraw/zinc/99/64/45/781996445.db2.gz VIAIMYRDZOONPQ-UHFFFAOYSA-N 1 2 295.347 -1.482 20 0 CAADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)N=c1nc[nH]n1C ZINC000678662765 545609693 /nfs/dbraw/zinc/60/96/93/545609693.db2.gz LOAIFIUOYHZYNJ-JTQLQIEISA-N 1 2 298.347 -1.606 20 0 CAADLO CC(=O)N(C)CC(=O)N1CCC[N@H+](CC(N)=O)CC1 ZINC001194936487 781997827 /nfs/dbraw/zinc/99/78/27/781997827.db2.gz RPNOPWMVIBQKQO-UHFFFAOYSA-N 1 2 270.333 -1.516 20 0 CAADLO CC(=O)N(C)CC(=O)N1CCC[N@@H+](CC(N)=O)CC1 ZINC001194936487 781997840 /nfs/dbraw/zinc/99/78/40/781997840.db2.gz RPNOPWMVIBQKQO-UHFFFAOYSA-N 1 2 270.333 -1.516 20 0 CAADLO CNC(=O)C[N@@H+]1CCCN(C(=O)CNC(=O)C2CC2)CC1 ZINC001194945290 781998203 /nfs/dbraw/zinc/99/82/03/781998203.db2.gz JLPXDJVWDUFWMM-UHFFFAOYSA-N 1 2 296.371 -1.207 20 0 CAADLO CNC(=O)C[N@H+]1CCCN(C(=O)CNC(=O)C2CC2)CC1 ZINC001194945290 781998210 /nfs/dbraw/zinc/99/82/10/781998210.db2.gz JLPXDJVWDUFWMM-UHFFFAOYSA-N 1 2 296.371 -1.207 20 0 CAADLO CC(C)NC(=O)C[N@H+](C)CC(=O)NC(CO)CO ZINC000680454767 545613174 /nfs/dbraw/zinc/61/31/74/545613174.db2.gz RWMDCSSFIKJQEA-UHFFFAOYSA-N 1 2 261.322 -2.088 20 0 CAADLO CC(C)NC(=O)C[N@@H+](C)CC(=O)NC(CO)CO ZINC000680454767 545613177 /nfs/dbraw/zinc/61/31/77/545613177.db2.gz RWMDCSSFIKJQEA-UHFFFAOYSA-N 1 2 261.322 -2.088 20 0 CAADLO CN1CC[C@@H](C(=O)NCC[NH+]2CCOCC2)C1=O ZINC000681221985 545614620 /nfs/dbraw/zinc/61/46/20/545614620.db2.gz HTBQTOMOPYVNAM-JTQLQIEISA-N 1 2 255.318 -1.087 20 0 CAADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)[C@H]1CCN(C)C1=O ZINC000681304259 545614710 /nfs/dbraw/zinc/61/47/10/545614710.db2.gz MAOWYVSFUGVVCO-NEPJUHHUSA-N 1 2 299.371 -1.384 20 0 CAADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)N1C[C@H](O)C[C@H]1CO ZINC000681509049 545615710 /nfs/dbraw/zinc/61/57/10/545615710.db2.gz JXOLJVIDISMZNP-SDDRHHMPSA-N 1 2 287.360 -1.156 20 0 CAADLO CN1CC[C@@H](C(=O)N(CCO)CC[NH+]2CCOCC2)C1=O ZINC000681534562 545615844 /nfs/dbraw/zinc/61/58/44/545615844.db2.gz ADOJIVSKMOFAFS-GFCCVEGCSA-N 1 2 299.371 -1.382 20 0 CAADLO COC(=O)NCC(=O)N1CCC[N@@H+]([C@@H](C)C(N)=O)CC1 ZINC001195044865 781999890 /nfs/dbraw/zinc/99/98/90/781999890.db2.gz PCCNMSXKYJEZTK-VIFPVBQESA-N 1 2 286.332 -1.250 20 0 CAADLO COC(=O)NCC(=O)N1CCC[N@H+]([C@@H](C)C(N)=O)CC1 ZINC001195044865 781999899 /nfs/dbraw/zinc/99/98/99/781999899.db2.gz PCCNMSXKYJEZTK-VIFPVBQESA-N 1 2 286.332 -1.250 20 0 CAADLO CC(C)(C(N)=O)C(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000683488500 545618835 /nfs/dbraw/zinc/61/88/35/545618835.db2.gz DJPYFHDKCQMHRQ-SECBINFHSA-N 1 2 254.334 -1.386 20 0 CAADLO CCCC(=O)NCC(=O)N1CCC[N@H+](CC(N)=O)CC1 ZINC001195100632 782000348 /nfs/dbraw/zinc/00/03/48/782000348.db2.gz JJPPYMRTLANGCO-UHFFFAOYSA-N 1 2 284.360 -1.078 20 0 CAADLO CCCC(=O)NCC(=O)N1CCC[N@@H+](CC(N)=O)CC1 ZINC001195100632 782000354 /nfs/dbraw/zinc/00/03/54/782000354.db2.gz JJPPYMRTLANGCO-UHFFFAOYSA-N 1 2 284.360 -1.078 20 0 CAADLO CNS(=O)(=O)CCC[N@@H+]1CCOC[C@H]1CO ZINC000683527134 545619842 /nfs/dbraw/zinc/61/98/42/545619842.db2.gz SGIOPTDDGBVULQ-SECBINFHSA-N 1 2 252.336 -1.381 20 0 CAADLO CNS(=O)(=O)CCC[N@H+]1CCOC[C@H]1CO ZINC000683527134 545619846 /nfs/dbraw/zinc/61/98/46/545619846.db2.gz SGIOPTDDGBVULQ-SECBINFHSA-N 1 2 252.336 -1.381 20 0 CAADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(C)(C)C(N)=O ZINC000683493401 545620254 /nfs/dbraw/zinc/62/02/54/545620254.db2.gz GKMMJAWSNMOSCY-SNVBAGLBSA-N 1 2 287.360 -1.351 20 0 CAADLO CN(Cc1[nH]cc[nH+]1)C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC000211497731 545620725 /nfs/dbraw/zinc/62/07/25/545620725.db2.gz XPGMMBDCPPMLLB-LURJTMIESA-N 1 2 251.246 -1.034 20 0 CAADLO O=C(N[C@H]1[C@@H]2COC[C@@H]21)N(CCO)CC[NH+]1CCOCC1 ZINC000684435012 545621755 /nfs/dbraw/zinc/62/17/55/545621755.db2.gz UDSBJLLRGBQRJF-ITGUQSILSA-N 1 2 299.371 -1.033 20 0 CAADLO C[C@H](NS(=O)(=O)c1cnnn1C)[C@@H]1C[N@H+](C)CCO1 ZINC000684584983 545621893 /nfs/dbraw/zinc/62/18/93/545621893.db2.gz VMGFTMRKXWVFOC-IUCAKERBSA-N 1 2 289.361 -1.188 20 0 CAADLO C[C@H](NS(=O)(=O)c1cnnn1C)[C@@H]1C[N@@H+](C)CCO1 ZINC000684584983 545621895 /nfs/dbraw/zinc/62/18/95/545621895.db2.gz VMGFTMRKXWVFOC-IUCAKERBSA-N 1 2 289.361 -1.188 20 0 CAADLO Cn1c[nH+]cc1CNC(=O)CN1CCOCC1=O ZINC000291265499 545623673 /nfs/dbraw/zinc/62/36/73/545623673.db2.gz PTWDRGGTKYLVKX-UHFFFAOYSA-N 1 2 252.274 -1.105 20 0 CAADLO CC(=O)N[C@H](C)C(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000178652542 545623769 /nfs/dbraw/zinc/62/37/69/545623769.db2.gz ASTHJXAUVFOTPY-MWLCHTKSSA-N 1 2 254.334 -1.373 20 0 CAADLO CC(=O)N[C@@H](C)C(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000178652556 545623882 /nfs/dbraw/zinc/62/38/82/545623882.db2.gz ASTHJXAUVFOTPY-ONGXEEELSA-N 1 2 254.334 -1.373 20 0 CAADLO C[C@H](CNC(=O)CN1C(=O)CN(C)C1=O)[NH+]1CCOCC1 ZINC000046268871 545624053 /nfs/dbraw/zinc/62/40/53/545624053.db2.gz LHEFWUVOSCNTJC-SNVBAGLBSA-N 1 2 298.343 -1.283 20 0 CAADLO CS(=O)(=O)N[C@H]1CCC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC000178196213 545624196 /nfs/dbraw/zinc/62/41/96/545624196.db2.gz HEGHHTOGNKYCMI-DTWKUNHWSA-N 1 2 261.347 -1.112 20 0 CAADLO CS(=O)(=O)N[C@H]1CCC[N@H+]([C@@H]2CCNC2=O)C1 ZINC000178196213 545624199 /nfs/dbraw/zinc/62/41/99/545624199.db2.gz HEGHHTOGNKYCMI-DTWKUNHWSA-N 1 2 261.347 -1.112 20 0 CAADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)Cn1cnnn1 ZINC000046888925 545624912 /nfs/dbraw/zinc/62/49/12/545624912.db2.gz FGVIZJFHHGVRCM-VIFPVBQESA-N 1 2 254.294 -1.490 20 0 CAADLO C[C@H](C[NH+]1CCOCC1)NC(=O)Cn1cnnn1 ZINC000046888927 545624971 /nfs/dbraw/zinc/62/49/71/545624971.db2.gz FGVIZJFHHGVRCM-SECBINFHSA-N 1 2 254.294 -1.490 20 0 CAADLO NC(=O)CN1C[C@@H](O)[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001195149767 782002392 /nfs/dbraw/zinc/00/23/92/782002392.db2.gz XEGUOTAMTPBGID-NXEZZACHSA-N 1 2 281.316 -2.080 20 0 CAADLO COC(=O)[C@H]1CN(C)CC[N@@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001195222819 782002656 /nfs/dbraw/zinc/00/26/56/782002656.db2.gz DSRBWAHKAZEWRM-VHSXEESVSA-N 1 2 283.328 -1.172 20 0 CAADLO COC(=O)[C@H]1CN(C)CC[N@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001195222819 782002669 /nfs/dbraw/zinc/00/26/69/782002669.db2.gz DSRBWAHKAZEWRM-VHSXEESVSA-N 1 2 283.328 -1.172 20 0 CAADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H]2CCC(=O)N2)CC1 ZINC001195252673 782002858 /nfs/dbraw/zinc/00/28/58/782002858.db2.gz CIWXSUOCRKCUPR-LLVKDONJSA-N 1 2 296.371 -1.065 20 0 CAADLO CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H]2CCC(=O)N2)CC1 ZINC001195252673 782002868 /nfs/dbraw/zinc/00/28/68/782002868.db2.gz CIWXSUOCRKCUPR-LLVKDONJSA-N 1 2 296.371 -1.065 20 0 CAADLO COC(=O)[C@@H]1CN(C)CC[N@@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001195222820 782003502 /nfs/dbraw/zinc/00/35/02/782003502.db2.gz DSRBWAHKAZEWRM-ZJUUUORDSA-N 1 2 283.328 -1.172 20 0 CAADLO CCNC(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(N)=O ZINC001110466411 782003427 /nfs/dbraw/zinc/00/34/27/782003427.db2.gz OHPKFYFRXRGDGE-BBBLOLIVSA-N 1 2 282.344 -1.281 20 0 CAADLO CCNC(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(N)=O ZINC001110466411 782003432 /nfs/dbraw/zinc/00/34/32/782003432.db2.gz OHPKFYFRXRGDGE-BBBLOLIVSA-N 1 2 282.344 -1.281 20 0 CAADLO COC(=O)[C@@H]1CN(C)CC[N@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001195222820 782003510 /nfs/dbraw/zinc/00/35/10/782003510.db2.gz DSRBWAHKAZEWRM-ZJUUUORDSA-N 1 2 283.328 -1.172 20 0 CAADLO [NH3+][C@@H]1NCN(C(=O)c2cc(O)cnc2Cl)[C@@H]2NCN[C@H]21 ZINC001195314521 782004471 /nfs/dbraw/zinc/00/44/71/782004471.db2.gz GUOLEUGUTWNFKV-SFGNSQDASA-N 1 2 298.734 -1.427 20 0 CAADLO Cc1ccc(O)c(C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@H]32)n1 ZINC001195335086 782006336 /nfs/dbraw/zinc/00/63/36/782006336.db2.gz CRSMQEQEPGGBPL-VWYCJHECSA-N 1 2 278.316 -1.772 20 0 CAADLO [NH3+][C@@H]1NCN(C(=O)c2cc(O)cnc2Cl)[C@H]2NCN[C@@H]21 ZINC001195314523 782004975 /nfs/dbraw/zinc/00/49/75/782004975.db2.gz GUOLEUGUTWNFKV-SZEHBUNVSA-N 1 2 298.734 -1.427 20 0 CAADLO [NH3+][C@@H]1NCN(C(=O)c2cc(O)cnc2Cl)[C@H]2NCN[C@H]21 ZINC001195314516 782005145 /nfs/dbraw/zinc/00/51/45/782005145.db2.gz GUOLEUGUTWNFKV-FXBDTBDDSA-N 1 2 298.734 -1.427 20 0 CAADLO CNC(=O)NC(=O)C[N@@H+]1CCCN(C(=O)CC(N)=O)CC1 ZINC001195364579 782005877 /nfs/dbraw/zinc/00/58/77/782005877.db2.gz WTCSIRYDOVDZKR-UHFFFAOYSA-N 1 2 299.331 -2.148 20 0 CAADLO CNC(=O)NC(=O)C[N@H+]1CCCN(C(=O)CC(N)=O)CC1 ZINC001195364579 782005886 /nfs/dbraw/zinc/00/58/86/782005886.db2.gz WTCSIRYDOVDZKR-UHFFFAOYSA-N 1 2 299.331 -2.148 20 0 CAADLO CN(C)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCF)C1 ZINC001195374930 782006014 /nfs/dbraw/zinc/00/60/14/782006014.db2.gz XTHHCLLBZPCTDS-NXEZZACHSA-N 1 2 275.324 -1.014 20 0 CAADLO CN(C)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCF)C1 ZINC001195374930 782006018 /nfs/dbraw/zinc/00/60/18/782006018.db2.gz XTHHCLLBZPCTDS-NXEZZACHSA-N 1 2 275.324 -1.014 20 0 CAADLO Cc1ccc(O)c(C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)n1 ZINC001195335083 782007212 /nfs/dbraw/zinc/00/72/12/782007212.db2.gz CRSMQEQEPGGBPL-DCAQKATOSA-N 1 2 278.316 -1.772 20 0 CAADLO CCS(=O)(=O)C[C@@H](C)NC(=O)CN1CC[NH2+]CC1=O ZINC000430412712 286619722 /nfs/dbraw/zinc/61/97/22/286619722.db2.gz ILKHKDGSFNJMHS-SECBINFHSA-N 1 2 291.373 -1.642 20 0 CAADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)Cn1cnc(N)n1 ZINC000630926823 409400138 /nfs/dbraw/zinc/40/01/38/409400138.db2.gz BMQDIQPQCCNEPE-SECBINFHSA-N 1 2 268.321 -1.303 20 0 CAADLO C[C@@H]1COCC[N@H+]1CCNC(=O)Cn1cnc(N)n1 ZINC000630926823 409400144 /nfs/dbraw/zinc/40/01/44/409400144.db2.gz BMQDIQPQCCNEPE-SECBINFHSA-N 1 2 268.321 -1.303 20 0 CAADLO CNC(=O)[C@@H]1CCN(C(=O)[C@@H]2COCC[N@@H+]2C)C1 ZINC000644491648 409368152 /nfs/dbraw/zinc/36/81/52/409368152.db2.gz DNLAZXKHLHXTPE-ZJUUUORDSA-N 1 2 255.318 -1.089 20 0 CAADLO CNC(=O)[C@@H]1CCN(C(=O)[C@@H]2COCC[N@H+]2C)C1 ZINC000644491648 409368157 /nfs/dbraw/zinc/36/81/57/409368157.db2.gz DNLAZXKHLHXTPE-ZJUUUORDSA-N 1 2 255.318 -1.089 20 0 CAADLO C[C@H](O)C(=O)NC[C@@H]1CN(C(=O)[C@H](C)O)CC[N@@H+]1C ZINC000652497882 409400212 /nfs/dbraw/zinc/40/02/12/409400212.db2.gz OJSAQZDFPYNJJO-LPEHRKFASA-N 1 2 273.333 -1.993 20 0 CAADLO C[C@H](O)C(=O)NC[C@@H]1CN(C(=O)[C@H](C)O)CC[N@H+]1C ZINC000652497882 409400213 /nfs/dbraw/zinc/40/02/13/409400213.db2.gz OJSAQZDFPYNJJO-LPEHRKFASA-N 1 2 273.333 -1.993 20 0 CAADLO CNC(=O)[C@@H]1CCN(C(=O)[C@H]2COCC[N@@H+]2C)C1 ZINC000644491645 409370110 /nfs/dbraw/zinc/37/01/10/409370110.db2.gz DNLAZXKHLHXTPE-NXEZZACHSA-N 1 2 255.318 -1.089 20 0 CAADLO CNC(=O)[C@@H]1CCN(C(=O)[C@H]2COCC[N@H+]2C)C1 ZINC000644491645 409370114 /nfs/dbraw/zinc/37/01/14/409370114.db2.gz DNLAZXKHLHXTPE-NXEZZACHSA-N 1 2 255.318 -1.089 20 0 CAADLO CNC(=O)C[NH+]1CCN(Cc2nnc(C)[nH]2)CC1 ZINC000644679000 409370452 /nfs/dbraw/zinc/37/04/52/409370452.db2.gz QNWAXNGDMWZZLC-UHFFFAOYSA-N 1 2 252.322 -1.023 20 0 CAADLO COCC1(CNC(=O)CN2CC[NH2+]CC2=O)CC1 ZINC000655490388 409371805 /nfs/dbraw/zinc/37/18/05/409371805.db2.gz JYWXCPMAUNBHJT-UHFFFAOYSA-N 1 2 255.318 -1.039 20 0 CAADLO C[C@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC000651108635 409371836 /nfs/dbraw/zinc/37/18/36/409371836.db2.gz SLEFXCZUDOTBSG-ZJUUUORDSA-N 1 2 291.373 -1.485 20 0 CAADLO CC(C)(C)n1nnc(CNC(=O)CN2CC[NH2+]CC2=O)n1 ZINC000655490777 409373314 /nfs/dbraw/zinc/37/33/14/409373314.db2.gz POMGUQKWSLAKOC-UHFFFAOYSA-N 1 2 295.347 -1.524 20 0 CAADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC000651108633 409373501 /nfs/dbraw/zinc/37/35/01/409373501.db2.gz SLEFXCZUDOTBSG-UWVGGRQHSA-N 1 2 291.373 -1.485 20 0 CAADLO C[C@@H]1C[N@H+](C)CCN1C(=O)C1(S(N)(=O)=O)CC1 ZINC000651300243 409374785 /nfs/dbraw/zinc/37/47/85/409374785.db2.gz RNVFKNPYWWJALS-MRVPVSSYSA-N 1 2 261.347 -1.030 20 0 CAADLO C[C@@H]1C[N@@H+](C)CCN1C(=O)C1(S(N)(=O)=O)CC1 ZINC000651300243 409374787 /nfs/dbraw/zinc/37/47/87/409374787.db2.gz RNVFKNPYWWJALS-MRVPVSSYSA-N 1 2 261.347 -1.030 20 0 CAADLO C[C@H]1C[N@H+](C)CCN1C(=O)C1(S(N)(=O)=O)CC1 ZINC000651300244 409375446 /nfs/dbraw/zinc/37/54/46/409375446.db2.gz RNVFKNPYWWJALS-QMMMGPOBSA-N 1 2 261.347 -1.030 20 0 CAADLO C[C@H]1C[N@@H+](C)CCN1C(=O)C1(S(N)(=O)=O)CC1 ZINC000651300244 409375448 /nfs/dbraw/zinc/37/54/48/409375448.db2.gz RNVFKNPYWWJALS-QMMMGPOBSA-N 1 2 261.347 -1.030 20 0 CAADLO O=C(NC[C@H]1C[NH+]2CCN1CC2)[C@@H]1CCS(=O)(=O)N1 ZINC000651553258 409384539 /nfs/dbraw/zinc/38/45/39/409384539.db2.gz LRVHOARBZLNCAI-UWVGGRQHSA-N 1 2 288.373 -2.206 20 0 CAADLO C[C@@H]1C(=O)NCCN1C[C@H](O)C[NH+]1CCOCC1 ZINC000106933974 409386999 /nfs/dbraw/zinc/38/69/99/409386999.db2.gz VOXSQZOMYLCVLC-GHMZBOCLSA-N 1 2 257.334 -1.500 20 0 CAADLO C[C@@H]1C(=O)NCC[N@H+]1C[C@H](O)CN1CCOCC1 ZINC000106933974 409387007 /nfs/dbraw/zinc/38/70/07/409387007.db2.gz VOXSQZOMYLCVLC-GHMZBOCLSA-N 1 2 257.334 -1.500 20 0 CAADLO C[C@@H]1C(=O)NCC[N@@H+]1C[C@H](O)CN1CCOCC1 ZINC000106933974 409387015 /nfs/dbraw/zinc/38/70/15/409387015.db2.gz VOXSQZOMYLCVLC-GHMZBOCLSA-N 1 2 257.334 -1.500 20 0 CAADLO CC(C)(CNC(=O)Cn1cnnn1)[NH+]1CCOCC1 ZINC000301604015 409387511 /nfs/dbraw/zinc/38/75/11/409387511.db2.gz FATMYKWUAZYKLQ-UHFFFAOYSA-N 1 2 268.321 -1.100 20 0 CAADLO COCCN(C)S(=O)(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000651882385 409391832 /nfs/dbraw/zinc/39/18/32/409391832.db2.gz MZFYPBOOQNPYCL-LLVKDONJSA-N 1 2 293.389 -1.440 20 0 CAADLO COCCN(C)S(=O)(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000651882385 409391837 /nfs/dbraw/zinc/39/18/37/409391837.db2.gz MZFYPBOOQNPYCL-LLVKDONJSA-N 1 2 293.389 -1.440 20 0 CAADLO Cc1nc(NC(=O)C(=O)N2CC[NH+](C3CC3)CC2)nn1C ZINC000576296647 409391854 /nfs/dbraw/zinc/39/18/54/409391854.db2.gz ZPMZEEJOTGELSF-UHFFFAOYSA-N 1 2 292.343 -0.631 20 0 CAADLO Cn1ccc(S(=O)(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)n1 ZINC000651882798 409392114 /nfs/dbraw/zinc/39/21/14/409392114.db2.gz BJTBRRXRHZWNGL-SNVBAGLBSA-N 1 2 286.357 -1.140 20 0 CAADLO Cn1ccc(S(=O)(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)n1 ZINC000651882798 409392118 /nfs/dbraw/zinc/39/21/18/409392118.db2.gz BJTBRRXRHZWNGL-SNVBAGLBSA-N 1 2 286.357 -1.140 20 0 CAADLO C[C@@H](O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000345526923 409395136 /nfs/dbraw/zinc/39/51/36/409395136.db2.gz TZJZHLHUMJFTKJ-SNVBAGLBSA-N 1 2 268.317 -0.465 20 0 CAADLO C[C@H]1C[N@H+](CCNC(=O)Cn2cnc(N)n2)CCO1 ZINC000630878549 409398920 /nfs/dbraw/zinc/39/89/20/409398920.db2.gz ABIHRSPNSRDNAU-VIFPVBQESA-N 1 2 268.321 -1.303 20 0 CAADLO C[C@H]1C[N@@H+](CCNC(=O)Cn2cnc(N)n2)CCO1 ZINC000630878549 409398925 /nfs/dbraw/zinc/39/89/25/409398925.db2.gz ABIHRSPNSRDNAU-VIFPVBQESA-N 1 2 268.321 -1.303 20 0 CAADLO O=C(CN1CC[NH2+]CC1=O)N1CC[C@H]2COC[C@@H]2C1 ZINC000662709376 409336052 /nfs/dbraw/zinc/33/60/52/409336052.db2.gz BCHDYESWNIWNEL-QWRGUYRKSA-N 1 2 267.329 -1.087 20 0 CAADLO COC(=O)[C@@H](CC(C)C)NC(=O)C[NH+]1C[C@H](O)[C@@H](O)C1 ZINC000234522929 409339718 /nfs/dbraw/zinc/33/97/18/409339718.db2.gz HRIHQPKLBHTZBU-VWYCJHECSA-N 1 2 288.344 -1.272 20 0 CAADLO CC(C)NC(=O)C[N@H+](C)CCNS(C)(=O)=O ZINC000107297833 409342476 /nfs/dbraw/zinc/34/24/76/409342476.db2.gz KUZBKSRIAJEHGF-UHFFFAOYSA-N 1 2 251.352 -1.008 20 0 CAADLO CC(C)NC(=O)C[N@@H+](C)CCNS(C)(=O)=O ZINC000107297833 409342481 /nfs/dbraw/zinc/34/24/81/409342481.db2.gz KUZBKSRIAJEHGF-UHFFFAOYSA-N 1 2 251.352 -1.008 20 0 CAADLO NC(=O)[C@H]1CCCC[N@@H+]1CC(=O)N1CCNC1=O ZINC000120364902 409343206 /nfs/dbraw/zinc/34/32/06/409343206.db2.gz JKRCIUQGPHXXAJ-MRVPVSSYSA-N 1 2 254.290 -1.122 20 0 CAADLO NC(=O)[C@H]1CCCC[N@H+]1CC(=O)N1CCNC1=O ZINC000120364902 409343212 /nfs/dbraw/zinc/34/32/12/409343212.db2.gz JKRCIUQGPHXXAJ-MRVPVSSYSA-N 1 2 254.290 -1.122 20 0 CAADLO CCNC(=O)CC[NH+]1CCN(S(=O)(=O)N(C)C)CC1 ZINC000046516297 409343889 /nfs/dbraw/zinc/34/38/89/409343889.db2.gz SCUJIISQVYXQSU-UHFFFAOYSA-N 1 2 292.405 -1.063 20 0 CAADLO C[C@@H](CO)[N@H+](C)CC(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000118945384 409344258 /nfs/dbraw/zinc/34/42/58/409344258.db2.gz NTLHEOHMOQJVAO-ZETCQYMHSA-N 1 2 284.316 -1.839 20 0 CAADLO C[C@@H](CO)[N@@H+](C)CC(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000118945384 409344264 /nfs/dbraw/zinc/34/42/64/409344264.db2.gz NTLHEOHMOQJVAO-ZETCQYMHSA-N 1 2 284.316 -1.839 20 0 CAADLO CCN1C[C@H](NC(=O)CN2CC[NH2+]CC2=O)CC1=O ZINC000648203669 409348043 /nfs/dbraw/zinc/34/80/43/409348043.db2.gz YDPCOQZJWJXQHK-SECBINFHSA-N 1 2 268.317 -1.845 20 0 CAADLO C[C@@H](O)C(=O)N1CC[N@H+](C)[C@@H](CNC(=O)[C@H](C)O)C1 ZINC000652497879 409399461 /nfs/dbraw/zinc/39/94/61/409399461.db2.gz OJSAQZDFPYNJJO-AEJSXWLSSA-N 1 2 273.333 -1.993 20 0 CAADLO C[C@@H](O)C(=O)N1CC[N@@H+](C)[C@@H](CNC(=O)[C@H](C)O)C1 ZINC000652497879 409399467 /nfs/dbraw/zinc/39/94/67/409399467.db2.gz OJSAQZDFPYNJJO-AEJSXWLSSA-N 1 2 273.333 -1.993 20 0 CAADLO COCCN1C(=O)C[C@H]([N@H+]2C[C@@H](O)[C@@H](O)C2)C1=O ZINC000653282269 409352289 /nfs/dbraw/zinc/35/22/89/409352289.db2.gz SQXURSPXIWYNHC-XHNCKOQMSA-N 1 2 258.274 -2.202 20 0 CAADLO COCCN1C(=O)C[C@H]([N@@H+]2C[C@@H](O)[C@@H](O)C2)C1=O ZINC000653282269 409352292 /nfs/dbraw/zinc/35/22/92/409352292.db2.gz SQXURSPXIWYNHC-XHNCKOQMSA-N 1 2 258.274 -2.202 20 0 CAADLO O=C1C[C@H]([N@H+]2C[C@@H](O)[C@@H](O)C2)C(=O)N1CC(F)(F)F ZINC000653282114 409352367 /nfs/dbraw/zinc/35/23/67/409352367.db2.gz MQMFUGLIGOTYJI-LYFYHCNISA-N 1 2 282.218 -1.286 20 0 CAADLO O=C1C[C@H]([N@@H+]2C[C@@H](O)[C@@H](O)C2)C(=O)N1CC(F)(F)F ZINC000653282114 409352372 /nfs/dbraw/zinc/35/23/72/409352372.db2.gz MQMFUGLIGOTYJI-LYFYHCNISA-N 1 2 282.218 -1.286 20 0 CAADLO O=C1C[C@H]([N@H+]2C[C@@H](O)[C@@H](O)C2)C(=O)N1c1cnccn1 ZINC000653282325 409352640 /nfs/dbraw/zinc/35/26/40/409352640.db2.gz VQUWKGRNLQGKPQ-XHNCKOQMSA-N 1 2 278.268 -1.854 20 0 CAADLO O=C1C[C@H]([N@@H+]2C[C@@H](O)[C@@H](O)C2)C(=O)N1c1cnccn1 ZINC000653282325 409352645 /nfs/dbraw/zinc/35/26/45/409352645.db2.gz VQUWKGRNLQGKPQ-XHNCKOQMSA-N 1 2 278.268 -1.854 20 0 CAADLO C[C@@H]1C(=O)N(C)CN1C(=O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000647574782 409353191 /nfs/dbraw/zinc/35/31/91/409353191.db2.gz UXOCSZSEWHJQIA-SNVBAGLBSA-N 1 2 294.355 -1.060 20 0 CAADLO C[C@H]1C(=O)N(C)CN1C(=O)C(=O)N1CCn2c[nH+]cc2C1 ZINC000647572571 409354534 /nfs/dbraw/zinc/35/45/34/409354534.db2.gz GNYWFNOTBPYLQC-VIFPVBQESA-N 1 2 291.311 -1.128 20 0 CAADLO C[C@@H]1C(=O)N(C)CN1C(=O)C(=O)N1CCn2c[nH+]cc2C1 ZINC000647572570 409354963 /nfs/dbraw/zinc/35/49/63/409354963.db2.gz GNYWFNOTBPYLQC-SECBINFHSA-N 1 2 291.311 -1.128 20 0 CAADLO C[C@H]1C(=O)N(C)CN1C(=O)C(=O)N1CC[NH+](C)CC1 ZINC000647574212 409355098 /nfs/dbraw/zinc/35/50/98/409355098.db2.gz IMMXUXCTZQFTLX-VIFPVBQESA-N 1 2 268.317 -1.593 20 0 CAADLO C[C@@H]1C(=O)N(C)CN1C(=O)C(=O)N1CC[NH+](C)CC1 ZINC000647574211 409355178 /nfs/dbraw/zinc/35/51/78/409355178.db2.gz IMMXUXCTZQFTLX-SECBINFHSA-N 1 2 268.317 -1.593 20 0 CAADLO CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N1CCC[N@H+](CC(N)=O)CC1 ZINC000367143416 409458674 /nfs/dbraw/zinc/45/86/74/409458674.db2.gz IATZWAXDQGTYFO-MNOVXSKESA-N 1 2 296.371 -1.270 20 0 CAADLO CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N1CCC[N@@H+](CC(N)=O)CC1 ZINC000367143416 409458679 /nfs/dbraw/zinc/45/86/79/409458679.db2.gz IATZWAXDQGTYFO-MNOVXSKESA-N 1 2 296.371 -1.270 20 0 CAADLO COC(=O)c1cn(C2C[NH+](CCC(=O)NC(N)=O)C2)nn1 ZINC000353046931 409458701 /nfs/dbraw/zinc/45/87/01/409458701.db2.gz CIKWTFXOBIDVPW-UHFFFAOYSA-N 1 2 296.287 -1.494 20 0 CAADLO CCNC(=O)CNC(=O)N1C[C@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000353030845 409459343 /nfs/dbraw/zinc/45/93/43/409459343.db2.gz NNIPTBHEDRKDAY-NXEZZACHSA-N 1 2 270.333 -1.153 20 0 CAADLO CCNC(=O)CNC(=O)N1C[C@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000353030845 409459348 /nfs/dbraw/zinc/45/93/48/409459348.db2.gz NNIPTBHEDRKDAY-NXEZZACHSA-N 1 2 270.333 -1.153 20 0 CAADLO CCNC(=O)CNC(=O)N1C[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000353030851 409459819 /nfs/dbraw/zinc/45/98/19/409459819.db2.gz NNIPTBHEDRKDAY-VHSXEESVSA-N 1 2 270.333 -1.153 20 0 CAADLO CCNC(=O)CNC(=O)N1C[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000353030851 409459824 /nfs/dbraw/zinc/45/98/24/409459824.db2.gz NNIPTBHEDRKDAY-VHSXEESVSA-N 1 2 270.333 -1.153 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(n2cc(C(=O)OC)nn2)C1 ZINC000353039966 409459899 /nfs/dbraw/zinc/45/98/99/409459899.db2.gz MTPTZLOUNNUOJU-VIFPVBQESA-N 1 2 270.289 -1.071 20 0 CAADLO O=C(NCC1([NH+]2CCOCC2)CC1)N1C[C@@H](O)C[C@@H]1CO ZINC000365602285 409402590 /nfs/dbraw/zinc/40/25/90/409402590.db2.gz WIXYRPVYTZMOFC-NEPJUHHUSA-N 1 2 299.371 -1.012 20 0 CAADLO CN(CCNS(C)(=O)=O)C[C@H](O)C[NH+]1CCOCC1 ZINC000336802043 409402681 /nfs/dbraw/zinc/40/26/81/409402681.db2.gz SJFBKQFXQJXTOW-NSHDSACASA-N 1 2 295.405 -1.840 20 0 CAADLO NS(=O)(=O)N1CC[NH+](CCN2CCNC2=O)CC1 ZINC000336792482 409403493 /nfs/dbraw/zinc/40/34/93/409403493.db2.gz SHIFCWWRXCJXHK-UHFFFAOYSA-N 1 2 277.350 -2.167 20 0 CAADLO O=C(NCC1([NH+]2CCOCC2)CC1)N1C[C@H](O)C[C@@H]1CO ZINC000365602294 409403879 /nfs/dbraw/zinc/40/38/79/409403879.db2.gz WIXYRPVYTZMOFC-VXGBXAGGSA-N 1 2 299.371 -1.012 20 0 CAADLO CN(CC(=O)N[C@@H](CO)C[NH+]1CCOCC1)C(=O)C1CC1 ZINC000644885936 409405860 /nfs/dbraw/zinc/40/58/60/409405860.db2.gz UCEFFOYXTWFXIE-GFCCVEGCSA-N 1 2 299.371 -1.336 20 0 CAADLO CC1(C(=O)N[C@H](CO)C[NH+]2CCOCC2)COC1 ZINC000644885602 409405896 /nfs/dbraw/zinc/40/58/96/409405896.db2.gz SBZBYPQYQMMHOG-JTQLQIEISA-N 1 2 258.318 -1.168 20 0 CAADLO CCN1C[C@@H](C(=O)N[C@@H](CO)C[NH+]2CCOCC2)CC1=O ZINC000644884848 409406023 /nfs/dbraw/zinc/40/60/23/409406023.db2.gz AUBNJBZPPYEINV-NWDGAFQWSA-N 1 2 299.371 -1.336 20 0 CAADLO CN1CC[C@H](C(=O)N[C@H](CO)C[NH+]2CCOCC2)C1=O ZINC000644885378 409406102 /nfs/dbraw/zinc/40/61/02/409406102.db2.gz GSJMFCZMLZWHLS-WDEREUQCSA-N 1 2 285.344 -1.726 20 0 CAADLO CCC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C[NH+]1CCOCC1 ZINC000644884842 409406673 /nfs/dbraw/zinc/40/66/73/409406673.db2.gz ARDXVEJEOFXBFK-WDEREUQCSA-N 1 2 287.360 -1.290 20 0 CAADLO CNC(=O)NCCC(=O)N[C@@H](CO)C[NH+]1CCOCC1 ZINC000644886906 409406903 /nfs/dbraw/zinc/40/69/03/409406903.db2.gz AIKFAWOSKJDYKN-SNVBAGLBSA-N 1 2 288.348 -1.885 20 0 CAADLO CN1CC[C@H](C(=O)N[C@@H](CO)C[NH+]2CCOCC2)C1=O ZINC000644885373 409407028 /nfs/dbraw/zinc/40/70/28/409407028.db2.gz GSJMFCZMLZWHLS-GHMZBOCLSA-N 1 2 285.344 -1.726 20 0 CAADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)CCn1ncn(C)c1=O ZINC000645078553 409408199 /nfs/dbraw/zinc/40/81/99/409408199.db2.gz YUSTWZMSIOLJQM-NSHDSACASA-N 1 2 297.359 -1.191 20 0 CAADLO NC(=O)[C@H]1CN(c2nc[nH+]c3c2OCCN3)CCO1 ZINC000647863257 409412038 /nfs/dbraw/zinc/41/20/38/409412038.db2.gz XUUCKHQAFQJDTD-SSDOTTSWSA-N 1 2 265.273 -1.029 20 0 CAADLO NC(=O)[C@H]1CN(c2[nH+]cnc3c2OCCN3)CCO1 ZINC000647863257 409412042 /nfs/dbraw/zinc/41/20/42/409412042.db2.gz XUUCKHQAFQJDTD-SSDOTTSWSA-N 1 2 265.273 -1.029 20 0 CAADLO CC(=O)N1CC[NH+](CCN=c2nc[nH]n2C)CC1 ZINC000647856160 409412662 /nfs/dbraw/zinc/41/26/62/409412662.db2.gz QISHXKUHEYJQNN-UHFFFAOYSA-N 1 2 252.322 -1.187 20 0 CAADLO C[N@@H+]1CCO[C@H](C(=O)N2CCN(Cc3nc[nH]n3)CC2)C1 ZINC000652901939 409460275 /nfs/dbraw/zinc/46/02/75/409460275.db2.gz UXXRYSIFRBUTPK-NSHDSACASA-N 1 2 294.359 -1.221 20 0 CAADLO C[N@H+]1CCO[C@H](C(=O)N2CCN(Cc3nc[nH]n3)CC2)C1 ZINC000652901939 409460278 /nfs/dbraw/zinc/46/02/78/409460278.db2.gz UXXRYSIFRBUTPK-NSHDSACASA-N 1 2 294.359 -1.221 20 0 CAADLO C[N@@H+]1CCO[C@H](C(=O)N2CCN(Cc3nnc[nH]3)CC2)C1 ZINC000652901939 409460282 /nfs/dbraw/zinc/46/02/82/409460282.db2.gz UXXRYSIFRBUTPK-NSHDSACASA-N 1 2 294.359 -1.221 20 0 CAADLO C[N@H+]1CCO[C@H](C(=O)N2CCN(Cc3nnc[nH]3)CC2)C1 ZINC000652901939 409460286 /nfs/dbraw/zinc/46/02/86/409460286.db2.gz UXXRYSIFRBUTPK-NSHDSACASA-N 1 2 294.359 -1.221 20 0 CAADLO C[N@@H+]1CCN(C(=O)COC2(C)C[NH2+]C2)[C@H](C[NH3+])C1 ZINC000647874464 409415404 /nfs/dbraw/zinc/41/54/04/409415404.db2.gz YSPDISYSEKLVFJ-SNVBAGLBSA-N 1 2 256.350 -1.534 20 0 CAADLO NC(=O)CN1CCN(c2nc[nH+]c3c2OCCN3)CC1 ZINC000647872761 409415667 /nfs/dbraw/zinc/41/56/67/409415667.db2.gz JDBHKHNVCJYRGV-UHFFFAOYSA-N 1 2 278.316 -1.112 20 0 CAADLO COc1ccc(NC(=O)C(=O)N2CC[NH+](C)CC2)nn1 ZINC000342018519 409421120 /nfs/dbraw/zinc/42/11/20/409421120.db2.gz PSALXMJVUGAGRP-UHFFFAOYSA-N 1 2 279.300 -0.802 20 0 CAADLO CCN1OC[C@H](N(C)C[C@@H](O)C[NH+]2CCOCC2)C1=O ZINC000647966334 409421508 /nfs/dbraw/zinc/42/15/08/409421508.db2.gz OIBRIZGIOOBORT-NEPJUHHUSA-N 1 2 287.360 -1.226 20 0 CAADLO COC[C@H]1C[C@@H](O)CN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000652822825 409427834 /nfs/dbraw/zinc/42/78/34/409427834.db2.gz KVXGOUXQBSANCB-GMTAPVOTSA-N 1 2 258.318 -1.075 20 0 CAADLO COC[C@H]1C[C@@H](O)CN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000652822825 409427840 /nfs/dbraw/zinc/42/78/40/409427840.db2.gz KVXGOUXQBSANCB-GMTAPVOTSA-N 1 2 258.318 -1.075 20 0 CAADLO C[C@H](O)C(=O)N1CC[NH+]([C@H]2CCCNC2=O)CC1 ZINC000346215363 409433376 /nfs/dbraw/zinc/43/33/76/409433376.db2.gz RTZHTHZAHOSNBL-UWVGGRQHSA-N 1 2 255.318 -1.210 20 0 CAADLO C[C@@H](O)[C@H](NC(=O)C1CC1)C(=O)N1CC[NH+](CCO)CC1 ZINC000354449110 409462190 /nfs/dbraw/zinc/46/21/90/409462190.db2.gz RSRGDQRXAZFRPG-PWSUYJOCSA-N 1 2 299.371 -1.602 20 0 CAADLO C[C@H]1C[N@H+](CCCS(N)(=O)=O)CCN1S(C)(=O)=O ZINC000345839235 409433958 /nfs/dbraw/zinc/43/39/58/409433958.db2.gz PUEBBWTWTCKFRK-VIFPVBQESA-N 1 2 299.418 -1.369 20 0 CAADLO C[C@H]1C[N@@H+](CCCS(N)(=O)=O)CCN1S(C)(=O)=O ZINC000345839235 409433963 /nfs/dbraw/zinc/43/39/63/409433963.db2.gz PUEBBWTWTCKFRK-VIFPVBQESA-N 1 2 299.418 -1.369 20 0 CAADLO C[C@@H](O)C(=O)N1CC[NH+](CCCS(N)(=O)=O)CC1 ZINC000346223802 409434169 /nfs/dbraw/zinc/43/41/69/409434169.db2.gz YNUBWQGBMVNRHH-SECBINFHSA-N 1 2 279.362 -1.810 20 0 CAADLO Cc1[nH+]c[nH]c1CC(=O)N1CCN(S(N)(=O)=O)CC1 ZINC000346298713 409434277 /nfs/dbraw/zinc/43/42/77/409434277.db2.gz HTNYNNLFZYFIPS-UHFFFAOYSA-N 1 2 287.345 -1.392 20 0 CAADLO C[C@@H](O)C(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000345871947 409434313 /nfs/dbraw/zinc/43/43/13/409434313.db2.gz DHJGHVKTGRQFAP-MNOVXSKESA-N 1 2 285.344 -1.584 20 0 CAADLO O=C(CNC(=O)c1cnc[nH]1)NCC[NH+]1CCOCC1 ZINC000346877669 409435541 /nfs/dbraw/zinc/43/55/41/409435541.db2.gz ZOASEEUUYXJDKV-UHFFFAOYSA-N 1 2 281.316 -1.412 20 0 CAADLO CCOC(=O)CN(C)C(=O)C[N@@H+]1CCC[C@H]1C(N)=O ZINC000354146335 409461223 /nfs/dbraw/zinc/46/12/23/409461223.db2.gz BHKWRJBRCLFFBY-VIFPVBQESA-N 1 2 271.317 -1.042 20 0 CAADLO CCOC(=O)CN(C)C(=O)C[N@H+]1CCC[C@H]1C(N)=O ZINC000354146335 409461230 /nfs/dbraw/zinc/46/12/30/409461230.db2.gz BHKWRJBRCLFFBY-VIFPVBQESA-N 1 2 271.317 -1.042 20 0 CAADLO CC[S@@](=O)CC(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000346376390 409437321 /nfs/dbraw/zinc/43/73/21/409437321.db2.gz CYUZSTZXUVYPPX-JEOXALJRSA-N 1 2 292.401 -1.094 20 0 CAADLO CC(=O)NCC(=O)NCC(=O)NCCNc1cccc[nH+]1 ZINC000348773661 409438444 /nfs/dbraw/zinc/43/84/44/409438444.db2.gz WWXRHGPAKFLUKO-UHFFFAOYSA-N 1 2 293.327 -1.138 20 0 CAADLO COC(=O)CCNC(=O)C[N@@H+]1C[C@@H](C)O[C@@H](CO)C1 ZINC000346971375 409439841 /nfs/dbraw/zinc/43/98/41/409439841.db2.gz HCEBEGPPYJNZEN-NXEZZACHSA-N 1 2 274.317 -1.253 20 0 CAADLO COC(=O)CCNC(=O)C[N@H+]1C[C@@H](C)O[C@@H](CO)C1 ZINC000346971375 409439849 /nfs/dbraw/zinc/43/98/49/409439849.db2.gz HCEBEGPPYJNZEN-NXEZZACHSA-N 1 2 274.317 -1.253 20 0 CAADLO C[N@H+]1CCN(C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)[C@H](C[NH3+])C1 ZINC000519600090 409446848 /nfs/dbraw/zinc/44/68/48/409446848.db2.gz NUBAHOQJJUWGBM-MNOVXSKESA-N 1 2 283.376 -2.044 20 0 CAADLO C[C@@H](CN1CCOCC1)[N@@H+]1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC000329323400 409447038 /nfs/dbraw/zinc/44/70/38/409447038.db2.gz RYIZZAYOBNCGKA-RYUDHWBXSA-N 1 2 296.371 -1.650 20 0 CAADLO C[C@@H](CN1CCOCC1)[N@H+]1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC000329323400 409447042 /nfs/dbraw/zinc/44/70/42/409447042.db2.gz RYIZZAYOBNCGKA-RYUDHWBXSA-N 1 2 296.371 -1.650 20 0 CAADLO Cn1cnc(C(=O)NC[C@H]2C[NH+]3CCN2CC3)n1 ZINC000329452017 409447291 /nfs/dbraw/zinc/44/72/91/409447291.db2.gz CVSRXRITYVAENB-VIFPVBQESA-N 1 2 250.306 -1.455 20 0 CAADLO O=C(CN1CC[NH2+]CC1=O)N[C@H]1CCC[C@@H](O)C1 ZINC000648048975 409447334 /nfs/dbraw/zinc/44/73/34/409447334.db2.gz ZJCTVQUQSVFVMD-VHSXEESVSA-N 1 2 255.318 -1.162 20 0 CAADLO Cn1cc(N2CC[NH+]([C@H]3CC(=O)NC3=O)CC2)cn1 ZINC000520247988 409447466 /nfs/dbraw/zinc/44/74/66/409447466.db2.gz JPQRRFGOLPNFCT-JTQLQIEISA-N 1 2 263.301 -1.043 20 0 CAADLO Cn1cc(N2CC[NH+]([C@@H]3CC(=O)NC3=O)CC2)cn1 ZINC000520247989 409447872 /nfs/dbraw/zinc/44/78/72/409447872.db2.gz JPQRRFGOLPNFCT-SNVBAGLBSA-N 1 2 263.301 -1.043 20 0 CAADLO CN(C)S(=O)(=O)[C@H]1CCC[N@@H+]([C@@H]2CC(=O)NC2=O)C1 ZINC000519648747 409447996 /nfs/dbraw/zinc/44/79/96/409447996.db2.gz QSNNVDXCYCBOPR-DTWKUNHWSA-N 1 2 289.357 -1.243 20 0 CAADLO CN(C)S(=O)(=O)[C@H]1CCC[N@H+]([C@@H]2CC(=O)NC2=O)C1 ZINC000519648747 409447998 /nfs/dbraw/zinc/44/79/98/409447998.db2.gz QSNNVDXCYCBOPR-DTWKUNHWSA-N 1 2 289.357 -1.243 20 0 CAADLO CCOC(=O)COCC[N@H+]1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000351712502 409449438 /nfs/dbraw/zinc/44/94/38/409449438.db2.gz PWIXVGQPDRPFIL-VIFPVBQESA-N 1 2 285.300 -1.198 20 0 CAADLO Nc1ncccc1C[N@@H+]1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC000329669200 409450382 /nfs/dbraw/zinc/45/03/82/409450382.db2.gz MFXMXNBRGUPQPR-JTQLQIEISA-N 1 2 275.312 -1.194 20 0 CAADLO Nc1ncccc1C[N@H+]1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC000329669200 409450385 /nfs/dbraw/zinc/45/03/85/409450385.db2.gz MFXMXNBRGUPQPR-JTQLQIEISA-N 1 2 275.312 -1.194 20 0 CAADLO C[C@H](O)CNc1cc(N2CCO[C@@H](C(N)=O)C2)nc[nH+]1 ZINC000354356050 409461714 /nfs/dbraw/zinc/46/17/14/409461714.db2.gz ZOYLUJMFJKWHTO-DTWKUNHWSA-N 1 2 281.316 -1.040 20 0 CAADLO C[C@H](O)CNc1cc(N2CCO[C@@H](C(N)=O)C2)[nH+]cn1 ZINC000354356050 409461720 /nfs/dbraw/zinc/46/17/20/409461720.db2.gz ZOYLUJMFJKWHTO-DTWKUNHWSA-N 1 2 281.316 -1.040 20 0 CAADLO CN1CC(=O)N(CC(=O)N2C[C@@H]3OCC[N@H+](C)[C@H]3C2)C1=O ZINC000329941643 409451834 /nfs/dbraw/zinc/45/18/34/409451834.db2.gz VCOXRALFJZEJGF-UWVGGRQHSA-N 1 2 296.327 -1.578 20 0 CAADLO CN1CC(=O)N(CC(=O)N2C[C@@H]3OCC[N@@H+](C)[C@H]3C2)C1=O ZINC000329941643 409451841 /nfs/dbraw/zinc/45/18/41/409451841.db2.gz VCOXRALFJZEJGF-UWVGGRQHSA-N 1 2 296.327 -1.578 20 0 CAADLO O=S(=O)(C1COC1)N1CC[NH+](CCO)CC1 ZINC000329905504 409452076 /nfs/dbraw/zinc/45/20/76/409452076.db2.gz AUFJKFCAZAYWNQ-UHFFFAOYSA-N 1 2 250.320 -1.675 20 0 CAADLO CN1CCO[C@@H]2C[N@H+](CC(=O)N3CCNC(=O)C3)C[C@H]21 ZINC000329945868 409452192 /nfs/dbraw/zinc/45/21/92/409452192.db2.gz XNAHXYVMWMEEIS-GHMZBOCLSA-N 1 2 282.344 -1.200 20 0 CAADLO CN1CCO[C@@H]2C[N@@H+](CC(=O)N3CCNC(=O)C3)C[C@H]21 ZINC000329945868 409452197 /nfs/dbraw/zinc/45/21/97/409452197.db2.gz XNAHXYVMWMEEIS-GHMZBOCLSA-N 1 2 282.344 -1.200 20 0 CAADLO C[N@@H+]1CCO[C@@H]2CN(CC(=O)N3CCNC(=O)C3)C[C@H]21 ZINC000329945868 409452200 /nfs/dbraw/zinc/45/22/00/409452200.db2.gz XNAHXYVMWMEEIS-GHMZBOCLSA-N 1 2 282.344 -1.200 20 0 CAADLO C[N@H+]1CCO[C@@H]2CN(CC(=O)N3CCNC(=O)C3)C[C@H]21 ZINC000329945868 409452205 /nfs/dbraw/zinc/45/22/05/409452205.db2.gz XNAHXYVMWMEEIS-GHMZBOCLSA-N 1 2 282.344 -1.200 20 0 CAADLO Cc1nc(N2CCN3C(=O)NC(=O)[C@@H]3C2)nc(N(C)C)[nH+]1 ZINC000351883793 409452291 /nfs/dbraw/zinc/45/22/91/409452291.db2.gz CJIJYCWQJTZURE-QMMMGPOBSA-N 1 2 291.315 -1.014 20 0 CAADLO Cc1nc(N(C)C)nc(N2CCN3C(=O)NC(=O)[C@@H]3C2)[nH+]1 ZINC000351883793 409452295 /nfs/dbraw/zinc/45/22/95/409452295.db2.gz CJIJYCWQJTZURE-QMMMGPOBSA-N 1 2 291.315 -1.014 20 0 CAADLO CN(CC[NH+]1CCOCC1)C(=O)CN1CCOCC1=O ZINC000329865251 409452549 /nfs/dbraw/zinc/45/25/49/409452549.db2.gz UCDJQWQXGBHLFJ-UHFFFAOYSA-N 1 2 285.344 -1.364 20 0 CAADLO CN1CC(=O)N(CC(=O)N2C[C@H]3OCC[N@H+](C)[C@H]3C2)C1=O ZINC000329941644 409452680 /nfs/dbraw/zinc/45/26/80/409452680.db2.gz VCOXRALFJZEJGF-VHSXEESVSA-N 1 2 296.327 -1.578 20 0 CAADLO CN1CC(=O)N(CC(=O)N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)C1=O ZINC000329941644 409452686 /nfs/dbraw/zinc/45/26/86/409452686.db2.gz VCOXRALFJZEJGF-VHSXEESVSA-N 1 2 296.327 -1.578 20 0 CAADLO C[C@H]1C[N@H+](CCS(=O)(=O)N(C)C)C[C@@H](C(N)=O)O1 ZINC000351878906 409453212 /nfs/dbraw/zinc/45/32/12/409453212.db2.gz TUMHSQRHLQUCEB-IUCAKERBSA-N 1 2 279.362 -1.548 20 0 CAADLO C[C@H]1C[N@@H+](CCS(=O)(=O)N(C)C)C[C@@H](C(N)=O)O1 ZINC000351878906 409453218 /nfs/dbraw/zinc/45/32/18/409453218.db2.gz TUMHSQRHLQUCEB-IUCAKERBSA-N 1 2 279.362 -1.548 20 0 CAADLO C[N@@H+]1CCO[C@H](CNS(=O)(=O)C2COC2)C1 ZINC000329954157 409453400 /nfs/dbraw/zinc/45/34/00/409453400.db2.gz OFOSDNDIESSXIC-MRVPVSSYSA-N 1 2 250.320 -1.365 20 0 CAADLO C[N@H+]1CCO[C@H](CNS(=O)(=O)C2COC2)C1 ZINC000329954157 409453401 /nfs/dbraw/zinc/45/34/01/409453401.db2.gz OFOSDNDIESSXIC-MRVPVSSYSA-N 1 2 250.320 -1.365 20 0 CAADLO C[N@@H+]1CCO[C@H]2CN(C(=O)CN3CCOCC3=O)C[C@@H]21 ZINC000329867953 409453482 /nfs/dbraw/zinc/45/34/82/409453482.db2.gz WUJBZGMFMMZSQA-QWRGUYRKSA-N 1 2 283.328 -1.613 20 0 CAADLO C[N@H+]1CCO[C@H]2CN(C(=O)CN3CCOCC3=O)C[C@@H]21 ZINC000329867953 409453485 /nfs/dbraw/zinc/45/34/85/409453485.db2.gz WUJBZGMFMMZSQA-QWRGUYRKSA-N 1 2 283.328 -1.613 20 0 CAADLO C[C@H]1C[N@H+](CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)C[C@@H]1O ZINC000351831848 409453568 /nfs/dbraw/zinc/45/35/68/409453568.db2.gz TXLIUCVPJGRRGI-YUMQZZPRSA-N 1 2 296.327 -1.839 20 0 CAADLO C[C@H]1C[N@@H+](CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)C[C@@H]1O ZINC000351831848 409453572 /nfs/dbraw/zinc/45/35/72/409453572.db2.gz TXLIUCVPJGRRGI-YUMQZZPRSA-N 1 2 296.327 -1.839 20 0 CAADLO C[N@@H+]1CCO[C@@H]2CN(C(=O)CN3CCOCC3=O)C[C@@H]21 ZINC000329867954 409453754 /nfs/dbraw/zinc/45/37/54/409453754.db2.gz WUJBZGMFMMZSQA-WDEREUQCSA-N 1 2 283.328 -1.613 20 0 CAADLO C[N@H+]1CCO[C@@H]2CN(C(=O)CN3CCOCC3=O)C[C@@H]21 ZINC000329867954 409453759 /nfs/dbraw/zinc/45/37/59/409453759.db2.gz WUJBZGMFMMZSQA-WDEREUQCSA-N 1 2 283.328 -1.613 20 0 CAADLO CC(C)[C@H](O)C(=O)NCC(=O)NCC[NH+]1CCOCC1 ZINC000352970802 409455361 /nfs/dbraw/zinc/45/53/61/409455361.db2.gz AWWAWWOHMKIYNS-LBPRGKRZSA-N 1 2 287.360 -1.432 20 0 CAADLO CC(C)(C)NC(=O)CNC(=O)C[N@@H+]1CCC[C@@H]1C(N)=O ZINC000354151793 409461969 /nfs/dbraw/zinc/46/19/69/409461969.db2.gz ZLRGUDRLXJPSCI-SECBINFHSA-N 1 2 284.360 -1.033 20 0 CAADLO CC(C)(C)NC(=O)CNC(=O)C[N@H+]1CCC[C@@H]1C(N)=O ZINC000354151793 409461976 /nfs/dbraw/zinc/46/19/76/409461976.db2.gz ZLRGUDRLXJPSCI-SECBINFHSA-N 1 2 284.360 -1.033 20 0 CAADLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1Cc1nc(N)nc(N)n1 ZINC000352882475 409456103 /nfs/dbraw/zinc/45/61/03/409456103.db2.gz HIZMUMHRXRSKBH-UWVGGRQHSA-N 1 2 293.375 -1.008 20 0 CAADLO C[C@H]1C[C@H](N2CCOCC2)C[N@@H+]1Cc1nc(N)nc(N)n1 ZINC000352882475 409456108 /nfs/dbraw/zinc/45/61/08/409456108.db2.gz HIZMUMHRXRSKBH-UWVGGRQHSA-N 1 2 293.375 -1.008 20 0 CAADLO C[C@H]1C[C@H](N2CCOCC2)C[N@H+]1Cc1nc(N)nc(N)n1 ZINC000352882475 409456113 /nfs/dbraw/zinc/45/61/13/409456113.db2.gz HIZMUMHRXRSKBH-UWVGGRQHSA-N 1 2 293.375 -1.008 20 0 CAADLO COC(=O)COCC(=O)N(C)CC[NH+]1CCOCC1 ZINC000352938972 409456400 /nfs/dbraw/zinc/45/64/00/409456400.db2.gz JMFYPFDAERXREJ-UHFFFAOYSA-N 1 2 274.317 -1.033 20 0 CAADLO CC(C)[C@@H](O)C(=O)NCC(=O)NCC[NH+]1CCOCC1 ZINC000352970798 409457230 /nfs/dbraw/zinc/45/72/30/409457230.db2.gz AWWAWWOHMKIYNS-GFCCVEGCSA-N 1 2 287.360 -1.432 20 0 CAADLO COCCCS(=O)(=O)NCC[N@H+](C)CC(=O)N(C)C ZINC000355788651 409466603 /nfs/dbraw/zinc/46/66/03/409466603.db2.gz CWOOLMWPCRBHIA-UHFFFAOYSA-N 1 2 295.405 -1.038 20 0 CAADLO COCCCS(=O)(=O)NCC[N@@H+](C)CC(=O)N(C)C ZINC000355788651 409466605 /nfs/dbraw/zinc/46/66/05/409466605.db2.gz CWOOLMWPCRBHIA-UHFFFAOYSA-N 1 2 295.405 -1.038 20 0 CAADLO CN(C)S(=O)(=O)CC[N@@H+]1CCN2CCOC[C@@H]2C1 ZINC000367211486 409466673 /nfs/dbraw/zinc/46/66/73/409466673.db2.gz LCBYGLKIOOIXIR-NSHDSACASA-N 1 2 277.390 -1.106 20 0 CAADLO CN(C)S(=O)(=O)CC[N@H+]1CCN2CCOC[C@@H]2C1 ZINC000367211486 409466678 /nfs/dbraw/zinc/46/66/78/409466678.db2.gz LCBYGLKIOOIXIR-NSHDSACASA-N 1 2 277.390 -1.106 20 0 CAADLO COC(=O)[C@H]1C[C@@H](OC)C[N@H+]1CCC(=O)NC(N)=O ZINC000369382051 409468662 /nfs/dbraw/zinc/46/86/62/409468662.db2.gz VOPPQRKORCDTJC-HTQZYQBOSA-N 1 2 273.289 -1.166 20 0 CAADLO COC(=O)[C@H]1C[C@@H](OC)C[N@@H+]1CCC(=O)NC(N)=O ZINC000369382051 409468667 /nfs/dbraw/zinc/46/86/67/409468667.db2.gz VOPPQRKORCDTJC-HTQZYQBOSA-N 1 2 273.289 -1.166 20 0 CAADLO CC(C)(C)NC(=O)CNC(=O)C[N@@H+]1CCC[C@H]1C(N)=O ZINC000354151795 409462590 /nfs/dbraw/zinc/46/25/90/409462590.db2.gz ZLRGUDRLXJPSCI-VIFPVBQESA-N 1 2 284.360 -1.033 20 0 CAADLO CC(C)(C)NC(=O)CNC(=O)C[N@H+]1CCC[C@H]1C(N)=O ZINC000354151795 409462596 /nfs/dbraw/zinc/46/25/96/409462596.db2.gz ZLRGUDRLXJPSCI-VIFPVBQESA-N 1 2 284.360 -1.033 20 0 CAADLO C[C@H](O)[C@@H](NC(=O)C1CC1)C(=O)N1CC[NH+](CCO)CC1 ZINC000354449101 409462846 /nfs/dbraw/zinc/46/28/46/409462846.db2.gz RSRGDQRXAZFRPG-CMPLNLGQSA-N 1 2 299.371 -1.602 20 0 CAADLO CC(C)(C(=O)N1CCN(C(=O)CO)CC1)[NH+]1CCOCC1 ZINC000355283128 409464158 /nfs/dbraw/zinc/46/41/58/409464158.db2.gz KDCNALAWCHNHKX-UHFFFAOYSA-N 1 2 299.371 -1.240 20 0 CAADLO COCC(=O)N1CC[NH+](CCCS(N)(=O)=O)CC1 ZINC000355288054 409464242 /nfs/dbraw/zinc/46/42/42/409464242.db2.gz ZZCIFVSOSBOYBD-UHFFFAOYSA-N 1 2 279.362 -1.544 20 0 CAADLO COCCC(=O)N1CC[NH+](CCCS(N)(=O)=O)CC1 ZINC000355667984 409464575 /nfs/dbraw/zinc/46/45/75/409464575.db2.gz FISSUZNGIQVZBI-UHFFFAOYSA-N 1 2 293.389 -1.154 20 0 CAADLO CC[N@H+](CC(N)=O)CC(=O)NC(=O)N[C@H](C)COC ZINC000355618860 409465169 /nfs/dbraw/zinc/46/51/69/409465169.db2.gz HMEXRMLTGBPZLM-MRVPVSSYSA-N 1 2 274.321 -1.346 20 0 CAADLO CC[N@@H+](CC(N)=O)CC(=O)NC(=O)N[C@H](C)COC ZINC000355618860 409465171 /nfs/dbraw/zinc/46/51/71/409465171.db2.gz HMEXRMLTGBPZLM-MRVPVSSYSA-N 1 2 274.321 -1.346 20 0 CAADLO CN1CCN(c2cc(N3C[C@H](O)[C@@H](O)C3)[nH+]cn2)CC1=O ZINC000433819528 409481424 /nfs/dbraw/zinc/48/14/24/409481424.db2.gz JONDDJSSHBIVFA-UWVGGRQHSA-N 1 2 293.327 -1.703 20 0 CAADLO CN1CCN(c2cc(N3C[C@H](O)[C@@H](O)C3)nc[nH+]2)CC1=O ZINC000433819528 409481427 /nfs/dbraw/zinc/48/14/27/409481427.db2.gz JONDDJSSHBIVFA-UWVGGRQHSA-N 1 2 293.327 -1.703 20 0 CAADLO O=C(CNC(=O)CN1CC[NH2+]CC1=O)NC1CCCC1 ZINC000645799078 409481553 /nfs/dbraw/zinc/48/15/53/409481553.db2.gz BAQMWJACTORBBS-UHFFFAOYSA-N 1 2 282.344 -1.407 20 0 CAADLO C[C@@H](CS(C)(=O)=O)NC(=O)CN1CC[NH2+]CC1=O ZINC000430404107 409480393 /nfs/dbraw/zinc/48/03/93/409480393.db2.gz PSTUIARFUOUOLL-QMMMGPOBSA-N 1 2 277.346 -2.033 20 0 CAADLO NC(=O)[C@@H](O)CNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000646025136 409482779 /nfs/dbraw/zinc/48/27/79/409482779.db2.gz JRPZIQBAOOMOKK-MNOVXSKESA-N 1 2 285.344 -1.408 20 0 CAADLO NC(=O)[C@@H](O)CNC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000646025136 409482784 /nfs/dbraw/zinc/48/27/84/409482784.db2.gz JRPZIQBAOOMOKK-MNOVXSKESA-N 1 2 285.344 -1.408 20 0 CAADLO CO[C@@H](CNC(=O)CN1CC[NH2+]CC1=O)[C@H]1CCOC1 ZINC000659333041 409483015 /nfs/dbraw/zinc/48/30/15/409483015.db2.gz PKFXJWYVKGPIBQ-QWRGUYRKSA-N 1 2 285.344 -1.414 20 0 CAADLO O=C(CN1CCOCC1=O)NC[C@@H]1CN2CC[N@@H+]1CCC2 ZINC000646119487 409483594 /nfs/dbraw/zinc/48/35/94/409483594.db2.gz PJZBEEMOIOFZGZ-GFCCVEGCSA-N 1 2 296.371 -1.649 20 0 CAADLO O=C(CN1CCOCC1=O)NC[C@@H]1CN2CC[N@H+]1CCC2 ZINC000646119487 409483601 /nfs/dbraw/zinc/48/36/01/409483601.db2.gz PJZBEEMOIOFZGZ-GFCCVEGCSA-N 1 2 296.371 -1.649 20 0 CAADLO O=C(CN1CC(=O)NC1=O)NC[C@H]1CN2CC[N@@H+]1CCC2 ZINC000646121726 409483889 /nfs/dbraw/zinc/48/38/89/409483889.db2.gz TXJODZGXOUKQEA-JTQLQIEISA-N 1 2 295.343 -1.956 20 0 CAADLO O=C(CN1CC(=O)NC1=O)NC[C@H]1CN2CC[N@H+]1CCC2 ZINC000646121726 409483892 /nfs/dbraw/zinc/48/38/92/409483892.db2.gz TXJODZGXOUKQEA-JTQLQIEISA-N 1 2 295.343 -1.956 20 0 CAADLO CO[C@H](CNC(=O)CN1CC[NH2+]CC1=O)[C@H]1CCOC1 ZINC000659333046 409484081 /nfs/dbraw/zinc/48/40/81/409484081.db2.gz PKFXJWYVKGPIBQ-WDEREUQCSA-N 1 2 285.344 -1.414 20 0 CAADLO CNC(=O)CC(=O)NC[C@H]1CN2CC[N@@H+]1CCC2 ZINC000646121718 409484120 /nfs/dbraw/zinc/48/41/20/409484120.db2.gz SSVXXTSQUXGRFU-JTQLQIEISA-N 1 2 254.334 -1.371 20 0 CAADLO CNC(=O)CC(=O)NC[C@H]1CN2CC[N@H+]1CCC2 ZINC000646121718 409484126 /nfs/dbraw/zinc/48/41/26/409484126.db2.gz SSVXXTSQUXGRFU-JTQLQIEISA-N 1 2 254.334 -1.371 20 0 CAADLO COC[C@@H](CCNC(=O)CN1CC[NH2+]CC1=O)OC ZINC000659334462 409484309 /nfs/dbraw/zinc/48/43/09/409484309.db2.gz BXBANZWOXUNBEF-SNVBAGLBSA-N 1 2 273.333 -1.414 20 0 CAADLO NC(=O)[C@H](O)CNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000646025138 409484631 /nfs/dbraw/zinc/48/46/31/409484631.db2.gz JRPZIQBAOOMOKK-WDEREUQCSA-N 1 2 285.344 -1.408 20 0 CAADLO NC(=O)[C@H](O)CNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000646025138 409484634 /nfs/dbraw/zinc/48/46/34/409484634.db2.gz JRPZIQBAOOMOKK-WDEREUQCSA-N 1 2 285.344 -1.408 20 0 CAADLO C[NH+](C)C[C@H](CO)NC(=O)CCS(C)(=O)=O ZINC000646209007 409485284 /nfs/dbraw/zinc/48/52/84/409485284.db2.gz RTWQNNDMONIKSA-MRVPVSSYSA-N 1 2 252.336 -1.540 20 0 CAADLO O=C(CN1CC[NH2+]CC1=O)N1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000646216092 409485497 /nfs/dbraw/zinc/48/54/97/409485497.db2.gz GIUBLTYCEQYBDR-VXGBXAGGSA-N 1 2 297.355 -1.175 20 0 CAADLO O=C(CN1CC[NH2+]CC1=O)NCCO[C@H]1CC1(F)F ZINC000659345641 409485573 /nfs/dbraw/zinc/48/55/73/409485573.db2.gz MMBSPESUECRVTQ-QMMMGPOBSA-N 1 2 277.271 -1.041 20 0 CAADLO C[C@@H](CO[C@H]1CCOC1)NC(=O)CN1CC[NH2+]CC1=O ZINC000646191901 409485866 /nfs/dbraw/zinc/48/58/66/409485866.db2.gz CBIRTYPWFMROOD-QWRGUYRKSA-N 1 2 285.344 -1.272 20 0 CAADLO O=C(CN1CC[NH2+]CC1=O)N1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000646216091 409486225 /nfs/dbraw/zinc/48/62/25/409486225.db2.gz GIUBLTYCEQYBDR-RYUDHWBXSA-N 1 2 297.355 -1.175 20 0 CAADLO C[NH+](C)C[C@H](CO)NC(=O)C1(S(C)(=O)=O)CC1 ZINC000646208841 409486261 /nfs/dbraw/zinc/48/62/61/409486261.db2.gz KTLZHRHJLDGZPX-MRVPVSSYSA-N 1 2 264.347 -1.398 20 0 CAADLO C[C@H](C(=O)N(C)C)[N@@H+]1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC000152682404 409487260 /nfs/dbraw/zinc/48/72/60/409487260.db2.gz JOAYFANCHUQTNG-RKDXNWHRSA-N 1 2 268.317 -1.894 20 0 CAADLO C[C@H](C(=O)N(C)C)[N@H+]1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC000152682404 409487262 /nfs/dbraw/zinc/48/72/62/409487262.db2.gz JOAYFANCHUQTNG-RKDXNWHRSA-N 1 2 268.317 -1.894 20 0 CAADLO CN(CCO)C(=O)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000658417841 409488109 /nfs/dbraw/zinc/48/81/09/409488109.db2.gz VDXYCGLGMRSVIA-LLVKDONJSA-N 1 2 285.344 -1.630 20 0 CAADLO C[C@@H](C(=O)NCCN1C(=O)CNC1=O)[NH+]1CCOCC1 ZINC000646814873 409496121 /nfs/dbraw/zinc/49/61/21/409496121.db2.gz UAUFFPFRWVTFEU-VIFPVBQESA-N 1 2 284.316 -1.625 20 0 CAADLO CN1CC[C@H](C(=O)N2CC[NH+](CCO)CC2)S1(=O)=O ZINC000648729410 409496975 /nfs/dbraw/zinc/49/69/75/409496975.db2.gz VSVRPAYFRSOJMK-SNVBAGLBSA-N 1 2 291.373 -1.843 20 0 CAADLO O=C(NCCCn1cc[nH+]c1)[C@@H]1CC(=O)NC(=O)N1 ZINC000646577441 409489363 /nfs/dbraw/zinc/48/93/63/409489363.db2.gz CPIWKIUFSJITJJ-QMMMGPOBSA-N 1 2 265.273 -1.013 20 0 CAADLO O=C(NCC[NH+]1CCOCC1)[C@@H]1CC(=O)NC(=O)N1 ZINC000646583868 409489506 /nfs/dbraw/zinc/48/95/06/409489506.db2.gz MUZRCWJNWAGQES-QMMMGPOBSA-N 1 2 270.289 -1.967 20 0 CAADLO CN(C)C(=O)NCCNC(=O)CN1CC[NH2+]CC1=O ZINC000646459646 409491029 /nfs/dbraw/zinc/49/10/29/409491029.db2.gz KSQMIOIFHTYWSH-UHFFFAOYSA-N 1 2 271.321 -2.194 20 0 CAADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC000646679059 409492379 /nfs/dbraw/zinc/49/23/79/409492379.db2.gz RWUQPDWTQVKPFX-IUCAKERBSA-N 1 2 284.316 -1.579 20 0 CAADLO NS(=O)(=O)N1CCC[C@H](C(=O)NCc2[nH]cc[nH+]2)C1 ZINC000646809367 409494840 /nfs/dbraw/zinc/49/48/40/409494840.db2.gz HSPNQPOYRSSMBJ-QMMMGPOBSA-N 1 2 287.345 -1.059 20 0 CAADLO Cc1cncc(CCNC(=O)CN2CC[NH2+]CC2=O)n1 ZINC000659372278 409555400 /nfs/dbraw/zinc/55/54/00/409555400.db2.gz DSBVNHYNTHMASD-UHFFFAOYSA-N 1 2 277.328 -1.124 20 0 CAADLO Cc1cc(N2CCN3C(=O)C(=O)NC[C@H]3C2)nc[nH+]1 ZINC000131159711 409557874 /nfs/dbraw/zinc/55/78/74/409557874.db2.gz HRIAXWYRNLNJEF-VIFPVBQESA-N 1 2 261.285 -1.068 20 0 CAADLO CCN1CC[C@H]([N@@H+]2CCN3C(=O)NC(=O)[C@H]3C2)C1=O ZINC000660146560 409504478 /nfs/dbraw/zinc/50/44/78/409504478.db2.gz HJCQZYYXNFJGDV-DTWKUNHWSA-N 1 2 266.301 -1.157 20 0 CAADLO CCN1CC[C@H]([N@H+]2CCN3C(=O)NC(=O)[C@H]3C2)C1=O ZINC000660146560 409504483 /nfs/dbraw/zinc/50/44/83/409504483.db2.gz HJCQZYYXNFJGDV-DTWKUNHWSA-N 1 2 266.301 -1.157 20 0 CAADLO C[C@H]1C[C@H](C(=O)NCCC[N@@H+]2CCNC(=O)C2)CC(=O)N1 ZINC000543690778 409505644 /nfs/dbraw/zinc/50/56/44/409505644.db2.gz FYZWAJASOAFPPI-QWRGUYRKSA-N 1 2 296.371 -1.161 20 0 CAADLO C[C@H]1C[C@H](C(=O)NCCC[N@H+]2CCNC(=O)C2)CC(=O)N1 ZINC000543690778 409505651 /nfs/dbraw/zinc/50/56/51/409505651.db2.gz FYZWAJASOAFPPI-QWRGUYRKSA-N 1 2 296.371 -1.161 20 0 CAADLO COC1(C(=O)N[C@@H](CO)C[NH+]2CCOCC2)CC1 ZINC000649219140 409506334 /nfs/dbraw/zinc/50/63/34/409506334.db2.gz PTQBTDCBQMPCKL-SNVBAGLBSA-N 1 2 258.318 -1.025 20 0 CAADLO CC[NH+]1CCN(C(=O)CNC(=O)c2nnc[nH]2)CC1 ZINC000649225247 409506862 /nfs/dbraw/zinc/50/68/62/409506862.db2.gz KTNFRQAHGRSGRP-UHFFFAOYSA-N 1 2 266.305 -1.301 20 0 CAADLO CC[NH+]1CCN(C(=O)CNC(=O)c2ncn[nH]2)CC1 ZINC000649225247 409506864 /nfs/dbraw/zinc/50/68/64/409506864.db2.gz KTNFRQAHGRSGRP-UHFFFAOYSA-N 1 2 266.305 -1.301 20 0 CAADLO CC[NH+]1CCN(C(=O)CNC(=O)c2nc[nH]n2)CC1 ZINC000649225247 409506867 /nfs/dbraw/zinc/50/68/67/409506867.db2.gz KTNFRQAHGRSGRP-UHFFFAOYSA-N 1 2 266.305 -1.301 20 0 CAADLO C[C@@H]1C[C@H](C(=O)NCCC[N@@H+]2CCNC(=O)C2)CC(=O)N1 ZINC000543690776 409506918 /nfs/dbraw/zinc/50/69/18/409506918.db2.gz FYZWAJASOAFPPI-MNOVXSKESA-N 1 2 296.371 -1.161 20 0 CAADLO C[C@@H]1C[C@H](C(=O)NCCC[N@H+]2CCNC(=O)C2)CC(=O)N1 ZINC000543690776 409506921 /nfs/dbraw/zinc/50/69/21/409506921.db2.gz FYZWAJASOAFPPI-MNOVXSKESA-N 1 2 296.371 -1.161 20 0 CAADLO C[C@H]1C[N@H+](CCNC(=O)c2nc3n(n2)CCCN3)CCO1 ZINC000649312548 409507740 /nfs/dbraw/zinc/50/77/40/409507740.db2.gz YOQJMWKKJYXMHE-JTQLQIEISA-N 1 2 294.359 -1.198 20 0 CAADLO C[C@H]1C[N@@H+](CCNC(=O)c2nc3n(n2)CCCN3)CCO1 ZINC000649312548 409507744 /nfs/dbraw/zinc/50/77/44/409507744.db2.gz YOQJMWKKJYXMHE-JTQLQIEISA-N 1 2 294.359 -1.198 20 0 CAADLO CO[C@](C)(CO)CNC(=O)NC[C@@H]1CN(C)CC[N@@H+]1C ZINC000654439869 409511434 /nfs/dbraw/zinc/51/14/34/409511434.db2.gz YGHFRMMJMVFYIM-YPMHNXCESA-N 1 2 288.392 -1.071 20 0 CAADLO CO[C@](C)(CO)CNC(=O)NC[C@@H]1CN(C)CC[N@H+]1C ZINC000654439869 409511435 /nfs/dbraw/zinc/51/14/35/409511435.db2.gz YGHFRMMJMVFYIM-YPMHNXCESA-N 1 2 288.392 -1.071 20 0 CAADLO Cc1nn(CC(=O)N[C@@H](C)C[NH+]2CCOCC2)c(=O)n1C ZINC000654511469 409511683 /nfs/dbraw/zinc/51/16/83/409511683.db2.gz WMNVZMHJXZDVIL-JTQLQIEISA-N 1 2 297.359 -1.273 20 0 CAADLO Cc1nn(CC(=O)NCC[N@@H+]2CCO[C@H](C)C2)c(=O)n1C ZINC000654679418 409512386 /nfs/dbraw/zinc/51/23/86/409512386.db2.gz RQRCFYQLXLPJDJ-SNVBAGLBSA-N 1 2 297.359 -1.273 20 0 CAADLO Cc1nn(CC(=O)NCC[N@H+]2CCO[C@H](C)C2)c(=O)n1C ZINC000654679418 409512387 /nfs/dbraw/zinc/51/23/87/409512387.db2.gz RQRCFYQLXLPJDJ-SNVBAGLBSA-N 1 2 297.359 -1.273 20 0 CAADLO Cn1c[nH+]cc1CC(=O)N[C@H]1CC(=O)N(C)C1=O ZINC000655061371 409514823 /nfs/dbraw/zinc/51/48/23/409514823.db2.gz FRBAFVITWPJCIC-QMMMGPOBSA-N 1 2 250.258 -1.164 20 0 CAADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)CC(=O)NC)CC1 ZINC001195625949 782012191 /nfs/dbraw/zinc/01/21/91/782012191.db2.gz UEXFCDDGWXJYIP-UHFFFAOYSA-N 1 2 284.360 -1.207 20 0 CAADLO CCNC(=O)C[N@H+]1CCCN(C(=O)CC(=O)NC)CC1 ZINC001195625949 782012196 /nfs/dbraw/zinc/01/21/96/782012196.db2.gz UEXFCDDGWXJYIP-UHFFFAOYSA-N 1 2 284.360 -1.207 20 0 CAADLO CO[C@@H]1CS(=O)(=O)[C@H]2C[N@@H+]([C@@H]3CC(=O)NC3=O)C[C@H]21 ZINC000656476744 409530968 /nfs/dbraw/zinc/53/09/68/409530968.db2.gz CEESZKOPVWBMIH-KDXUFGMBSA-N 1 2 288.325 -1.855 20 0 CAADLO CO[C@@H]1CS(=O)(=O)[C@H]2C[N@H+]([C@@H]3CC(=O)NC3=O)C[C@H]21 ZINC000656476744 409530980 /nfs/dbraw/zinc/53/09/80/409530980.db2.gz CEESZKOPVWBMIH-KDXUFGMBSA-N 1 2 288.325 -1.855 20 0 CAADLO O=C(NCC[NH+]1CCOCC1)N[C@H]1CCNC1=O ZINC000656537557 409532202 /nfs/dbraw/zinc/53/22/02/409532202.db2.gz KGZBGLWHEDAGDO-VIFPVBQESA-N 1 2 256.306 -1.494 20 0 CAADLO C[C@H]1C[N@H+](CCO)CCN1S(=O)(=O)NC1CC1 ZINC000657008720 409536458 /nfs/dbraw/zinc/53/64/58/409536458.db2.gz BBFWVTVQNMXFFX-VIFPVBQESA-N 1 2 263.363 -1.018 20 0 CAADLO C[C@H]1C[N@@H+](CCO)CCN1S(=O)(=O)NC1CC1 ZINC000657008720 409536461 /nfs/dbraw/zinc/53/64/61/409536461.db2.gz BBFWVTVQNMXFFX-VIFPVBQESA-N 1 2 263.363 -1.018 20 0 CAADLO Cc1cnn(C)c1NC(=O)C(=O)N1CC[NH+](CCO)CC1 ZINC000657769437 409538095 /nfs/dbraw/zinc/53/80/95/409538095.db2.gz DGEOMHYUWYPZRF-UHFFFAOYSA-N 1 2 295.343 -1.196 20 0 CAADLO NC(=O)c1cc(NCCC[N@@H+]2CCNC(=O)C2)ncn1 ZINC000657208577 409538460 /nfs/dbraw/zinc/53/84/60/409538460.db2.gz WWUYTRFWYZPCEW-UHFFFAOYSA-N 1 2 278.316 -1.191 20 0 CAADLO NC(=O)c1cc(NCCC[N@H+]2CCNC(=O)C2)ncn1 ZINC000657208577 409538470 /nfs/dbraw/zinc/53/84/70/409538470.db2.gz WWUYTRFWYZPCEW-UHFFFAOYSA-N 1 2 278.316 -1.191 20 0 CAADLO CC[NH+]1CCN(C(=O)C(=O)N(C)C[C@@H](C)O)CC1 ZINC000657450918 409539583 /nfs/dbraw/zinc/53/95/83/409539583.db2.gz GQODFYMMCXWZTH-SNVBAGLBSA-N 1 2 257.334 -1.010 20 0 CAADLO CCn1ccc(NC(=O)C(=O)N2CC[NH+](CCO)CC2)n1 ZINC000657769912 409540896 /nfs/dbraw/zinc/54/08/96/409540896.db2.gz JWBFYTHRFFLRBC-UHFFFAOYSA-N 1 2 295.343 -1.022 20 0 CAADLO C[C@H](O)CN(C)C(=O)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000658515182 409549330 /nfs/dbraw/zinc/54/93/30/409549330.db2.gz RVQUQVVTAXXUSO-RYUDHWBXSA-N 1 2 299.371 -1.241 20 0 CAADLO CN(C[C@H]1COCCO1)C(=O)C(=O)N1CC[NH+](C)CC1 ZINC000658852051 409550485 /nfs/dbraw/zinc/55/04/85/409550485.db2.gz JWKGPUNMDIFSCB-NSHDSACASA-N 1 2 285.344 -1.366 20 0 CAADLO CN1CCN(C(=O)CN2CC[NH2+]CC2=O)CCC1=O ZINC000659374622 409553017 /nfs/dbraw/zinc/55/30/17/409553017.db2.gz PZYIWAAKVFOSAB-UHFFFAOYSA-N 1 2 268.317 -1.891 20 0 CAADLO O=C(CN1CC[NH2+]CC1=O)N1CC[C@H]2NC(=O)CC[C@H]2C1 ZINC000659358502 409554139 /nfs/dbraw/zinc/55/41/39/409554139.db2.gz RBEVDRWPXLWNFX-WDEREUQCSA-N 1 2 294.355 -1.455 20 0 CAADLO Cn1[nH]cnc1=NCC[NH+]1CCN(S(C)(=O)=O)CC1 ZINC000663419971 409621605 /nfs/dbraw/zinc/62/16/05/409621605.db2.gz JUQYFUFDOJNAFS-UHFFFAOYSA-N 1 2 288.377 -1.774 20 0 CAADLO Cn1ncnc1C(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000664263968 409629712 /nfs/dbraw/zinc/62/97/12/409629712.db2.gz LRYXASDFKCWDDU-SECBINFHSA-N 1 2 250.306 -1.455 20 0 CAADLO CN(CC1CC1)C(=O)C[N@@H+]1C[C@H](O)C[C@H]1C(N)=O ZINC000665037863 409635146 /nfs/dbraw/zinc/63/51/46/409635146.db2.gz GUTKTBRINLNYJZ-ZJUUUORDSA-N 1 2 255.318 -1.225 20 0 CAADLO CN(CC1CC1)C(=O)C[N@H+]1C[C@H](O)C[C@H]1C(N)=O ZINC000665037863 409635150 /nfs/dbraw/zinc/63/51/50/409635150.db2.gz GUTKTBRINLNYJZ-ZJUUUORDSA-N 1 2 255.318 -1.225 20 0 CAADLO CN1C[C@H](C(=O)NCC[NH+]2CCOCC2)NC1=O ZINC000665130987 409637535 /nfs/dbraw/zinc/63/75/35/409637535.db2.gz GYTVGLCYYHELLR-SECBINFHSA-N 1 2 256.306 -1.542 20 0 CAADLO O=C1NCCN1CC[NH+]1CCN(Cc2nnc[nH]2)CC1 ZINC000659876561 409571401 /nfs/dbraw/zinc/57/14/01/409571401.db2.gz KHQUMGLUGOIGSJ-UHFFFAOYSA-N 1 2 279.348 -1.053 20 0 CAADLO O=C1NCCN1CC[NH+]1CCN(Cc2nc[nH]n2)CC1 ZINC000659876561 409571408 /nfs/dbraw/zinc/57/14/08/409571408.db2.gz KHQUMGLUGOIGSJ-UHFFFAOYSA-N 1 2 279.348 -1.053 20 0 CAADLO C[C@H]1CO[C@@H](CO)C[N@@H+]1CCN1C(=O)CN(C)C1=O ZINC000660009419 409572864 /nfs/dbraw/zinc/57/28/64/409572864.db2.gz RWCXEYBZLZNOTD-VHSXEESVSA-N 1 2 271.317 -1.038 20 0 CAADLO C[C@H]1CO[C@@H](CO)C[N@H+]1CCN1C(=O)CN(C)C1=O ZINC000660009419 409572871 /nfs/dbraw/zinc/57/28/71/409572871.db2.gz RWCXEYBZLZNOTD-VHSXEESVSA-N 1 2 271.317 -1.038 20 0 CAADLO CCN1OC[C@H]([NH+]2CCC3(CC2)NC(=O)NC3=O)C1=O ZINC000660133398 409575497 /nfs/dbraw/zinc/57/54/97/409575497.db2.gz BJHANWUUSJSUJG-QMMMGPOBSA-N 1 2 282.300 -1.177 20 0 CAADLO C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@H]1CCNC1=O ZINC000660347221 409575666 /nfs/dbraw/zinc/57/56/66/409575666.db2.gz ZOGQWSUAQQLMQS-ZJUUUORDSA-N 1 2 270.333 -1.105 20 0 CAADLO CO[C@@H]1CS(=O)(=O)C[C@@H]1[N@@H+]1CCN2CCOC[C@@H]2C1 ZINC000660272385 409576003 /nfs/dbraw/zinc/57/60/03/409576003.db2.gz AFCKOMYUUQAXAE-SDDRHHMPSA-N 1 2 290.385 -1.185 20 0 CAADLO CO[C@@H]1CS(=O)(=O)C[C@@H]1[N@H+]1CCN2CCOC[C@@H]2C1 ZINC000660272385 409576012 /nfs/dbraw/zinc/57/60/12/409576012.db2.gz AFCKOMYUUQAXAE-SDDRHHMPSA-N 1 2 290.385 -1.185 20 0 CAADLO CN1CC(=O)N(CC[N@@H+]2CCSC[C@@H]2C(N)=O)C1=O ZINC000660153933 409576228 /nfs/dbraw/zinc/57/62/28/409576228.db2.gz FLDUTGAOLGZHDH-MRVPVSSYSA-N 1 2 286.357 -1.217 20 0 CAADLO CN1CC(=O)N(CC[N@H+]2CCSC[C@@H]2C(N)=O)C1=O ZINC000660153933 409576236 /nfs/dbraw/zinc/57/62/36/409576236.db2.gz FLDUTGAOLGZHDH-MRVPVSSYSA-N 1 2 286.357 -1.217 20 0 CAADLO CO[C@@H]1CS(=O)(=O)C[C@@H]1[N@@H+]1CCN2CCOC[C@H]2C1 ZINC000660272384 409576269 /nfs/dbraw/zinc/57/62/69/409576269.db2.gz AFCKOMYUUQAXAE-GRYCIOLGSA-N 1 2 290.385 -1.185 20 0 CAADLO CO[C@@H]1CS(=O)(=O)C[C@@H]1[N@H+]1CCN2CCOC[C@H]2C1 ZINC000660272384 409576278 /nfs/dbraw/zinc/57/62/78/409576278.db2.gz AFCKOMYUUQAXAE-GRYCIOLGSA-N 1 2 290.385 -1.185 20 0 CAADLO COCCN1CC[N@H+](C[C@@H]2CNC(=O)C2)CC1=O ZINC000660164349 409577329 /nfs/dbraw/zinc/57/73/29/409577329.db2.gz FPCZXRVALZFJBF-JTQLQIEISA-N 1 2 255.318 -1.087 20 0 CAADLO COCCN1CC[N@@H+](C[C@@H]2CNC(=O)C2)CC1=O ZINC000660164349 409577337 /nfs/dbraw/zinc/57/73/37/409577337.db2.gz FPCZXRVALZFJBF-JTQLQIEISA-N 1 2 255.318 -1.087 20 0 CAADLO CO[C@@H]1CS(=O)(=O)C[C@@H]1[N@H+](C)CCOCCO ZINC000660484018 409577756 /nfs/dbraw/zinc/57/77/56/409577756.db2.gz AUZQYXPNEHKTCZ-VHSXEESVSA-N 1 2 267.347 -1.261 20 0 CAADLO CO[C@@H]1CS(=O)(=O)C[C@@H]1[N@@H+](C)CCOCCO ZINC000660484018 409577767 /nfs/dbraw/zinc/57/77/67/409577767.db2.gz AUZQYXPNEHKTCZ-VHSXEESVSA-N 1 2 267.347 -1.261 20 0 CAADLO CCN1OC[C@@H]([N@@H+]2CCC[C@]3(C2)NC(=O)NC3=O)C1=O ZINC000660441195 409578088 /nfs/dbraw/zinc/57/80/88/409578088.db2.gz SMKJXDQYEAIHRF-PRHODGIISA-N 1 2 282.300 -1.177 20 0 CAADLO CCN1OC[C@@H]([N@H+]2CCC[C@]3(C2)NC(=O)NC3=O)C1=O ZINC000660441195 409578094 /nfs/dbraw/zinc/57/80/94/409578094.db2.gz SMKJXDQYEAIHRF-PRHODGIISA-N 1 2 282.300 -1.177 20 0 CAADLO CNC(=O)N1CC[NH+](CCN2C(=O)CN(C)C2=O)CC1 ZINC000660093358 409578785 /nfs/dbraw/zinc/57/87/85/409578785.db2.gz SHGYCXRQOCWVDQ-UHFFFAOYSA-N 1 2 283.332 -1.163 20 0 CAADLO CCN1OC[C@H]([NH+]2CCC(S(N)(=O)=O)CC2)C1=O ZINC000660141480 409579270 /nfs/dbraw/zinc/57/92/70/409579270.db2.gz VGIGRUKRUDANAD-VIFPVBQESA-N 1 2 277.346 -1.098 20 0 CAADLO Cn1c[nH+]c(CN2CCN(CC(N)=O)C(=O)C2)c1 ZINC000660775700 409581153 /nfs/dbraw/zinc/58/11/53/409581153.db2.gz RCWKBHMLMMSUHY-UHFFFAOYSA-N 1 2 251.290 -1.450 20 0 CAADLO CO[C@H](C[N@@H+]1CCN(CC(N)=O)C(=O)C1)[C@@H]1CCOC1 ZINC000660777044 409582072 /nfs/dbraw/zinc/58/20/72/409582072.db2.gz NURFKNHVOVYHEC-GHMZBOCLSA-N 1 2 285.344 -1.333 20 0 CAADLO CO[C@H](C[N@H+]1CCN(CC(N)=O)C(=O)C1)[C@@H]1CCOC1 ZINC000660777044 409582078 /nfs/dbraw/zinc/58/20/78/409582078.db2.gz NURFKNHVOVYHEC-GHMZBOCLSA-N 1 2 285.344 -1.333 20 0 CAADLO CO[C@H](C[N@@H+]1CCN(CC(N)=O)C(=O)C1)[C@H]1CCOC1 ZINC000660777047 409582225 /nfs/dbraw/zinc/58/22/25/409582225.db2.gz NURFKNHVOVYHEC-WDEREUQCSA-N 1 2 285.344 -1.333 20 0 CAADLO CO[C@H](C[N@H+]1CCN(CC(N)=O)C(=O)C1)[C@H]1CCOC1 ZINC000660777047 409582232 /nfs/dbraw/zinc/58/22/32/409582232.db2.gz NURFKNHVOVYHEC-WDEREUQCSA-N 1 2 285.344 -1.333 20 0 CAADLO CO[C@@H](C[N@@H+]1CCN(CC(N)=O)C(=O)C1)[C@H]1CCOC1 ZINC000660777046 409582670 /nfs/dbraw/zinc/58/26/70/409582670.db2.gz NURFKNHVOVYHEC-QWRGUYRKSA-N 1 2 285.344 -1.333 20 0 CAADLO CO[C@@H](C[N@H+]1CCN(CC(N)=O)C(=O)C1)[C@H]1CCOC1 ZINC000660777046 409582676 /nfs/dbraw/zinc/58/26/76/409582676.db2.gz NURFKNHVOVYHEC-QWRGUYRKSA-N 1 2 285.344 -1.333 20 0 CAADLO C[C@H]1COCC[N@@H+]1CCNC(=O)N[C@H]1CCNC1=O ZINC000660854916 409583429 /nfs/dbraw/zinc/58/34/29/409583429.db2.gz GWWSQKZOYOCZMC-UWVGGRQHSA-N 1 2 270.333 -1.105 20 0 CAADLO C[C@H]1COCC[N@H+]1CCNC(=O)N[C@H]1CCNC1=O ZINC000660854916 409583435 /nfs/dbraw/zinc/58/34/35/409583435.db2.gz GWWSQKZOYOCZMC-UWVGGRQHSA-N 1 2 270.333 -1.105 20 0 CAADLO CN(C)S(=O)(=O)CCC[N@@H+]1CCOC[C@H]1CO ZINC000661562513 409588188 /nfs/dbraw/zinc/58/81/88/409588188.db2.gz CTPXFPSAFGZNHZ-SNVBAGLBSA-N 1 2 266.363 -1.039 20 0 CAADLO CN(C)S(=O)(=O)CCC[N@H+]1CCOC[C@H]1CO ZINC000661562513 409588194 /nfs/dbraw/zinc/58/81/94/409588194.db2.gz CTPXFPSAFGZNHZ-SNVBAGLBSA-N 1 2 266.363 -1.039 20 0 CAADLO C[C@H]1C[N@H+](CCNC(=O)CN2CCNCC2=O)[C@@H](C)CO1 ZINC000662632052 409601881 /nfs/dbraw/zinc/60/18/81/409601881.db2.gz WZCBQJYOVYHQJM-RYUDHWBXSA-N 1 2 298.387 -1.356 20 0 CAADLO C[C@H]1C[N@@H+](CCNC(=O)CN2CCNCC2=O)[C@@H](C)CO1 ZINC000662632052 409601887 /nfs/dbraw/zinc/60/18/87/409601887.db2.gz WZCBQJYOVYHQJM-RYUDHWBXSA-N 1 2 298.387 -1.356 20 0 CAADLO C[C@H]1CN(CCNC(=O)CN2CC[NH2+]CC2=O)[C@@H](C)CO1 ZINC000662632052 409601896 /nfs/dbraw/zinc/60/18/96/409601896.db2.gz WZCBQJYOVYHQJM-RYUDHWBXSA-N 1 2 298.387 -1.356 20 0 CAADLO CN(C[C@@H]1COCCO1)C(=O)CN1CC[NH2+]CC1=O ZINC000662657869 409602632 /nfs/dbraw/zinc/60/26/32/409602632.db2.gz RPAAOLXPUOMMHV-SNVBAGLBSA-N 1 2 271.317 -1.708 20 0 CAADLO C[C@H](CNC(=O)CN1CC[NH2+]CC1=O)S(C)(=O)=O ZINC000662975656 409615079 /nfs/dbraw/zinc/61/50/79/409615079.db2.gz YADGAXWZQWQMCA-MRVPVSSYSA-N 1 2 277.346 -2.033 20 0 CAADLO Cc1nc(N(C)C)nc(NCC(=O)NCCO)[nH+]1 ZINC000490093372 409712288 /nfs/dbraw/zinc/71/22/88/409712288.db2.gz NTGXULDVEQITCF-UHFFFAOYSA-N 1 2 254.294 -1.234 20 0 CAADLO Cc1nc(NCC(=O)NCCO)nc(N(C)C)[nH+]1 ZINC000490093372 409712296 /nfs/dbraw/zinc/71/22/96/409712296.db2.gz NTGXULDVEQITCF-UHFFFAOYSA-N 1 2 254.294 -1.234 20 0 CAADLO CCNC(=O)C[NH+]1CCN(CC(=O)Nc2ccon2)CC1 ZINC000641959700 409696980 /nfs/dbraw/zinc/69/69/80/409696980.db2.gz HIVLNLRALWPAHQ-UHFFFAOYSA-N 1 2 295.343 -0.633 20 0 CAADLO COCCn1ccc(NC(=O)[C@H](C)N2CC[NH2+]CC2=O)n1 ZINC000637974979 409697569 /nfs/dbraw/zinc/69/75/69/409697569.db2.gz WMSHYEFWDJSBPG-JTQLQIEISA-N 1 2 295.343 -0.712 20 0 CAADLO Cc1nc(N(C)C)nc(N[C@H]2CC(=O)N(C)C2=O)[nH+]1 ZINC000356114611 409712464 /nfs/dbraw/zinc/71/24/64/409712464.db2.gz SMMWYJQPDWBWTN-ZETCQYMHSA-N 1 2 264.289 -0.585 20 0 CAADLO Cc1nc(N[C@H]2CC(=O)N(C)C2=O)nc(N(C)C)[nH+]1 ZINC000356114611 409712471 /nfs/dbraw/zinc/71/24/71/409712471.db2.gz SMMWYJQPDWBWTN-ZETCQYMHSA-N 1 2 264.289 -0.585 20 0 CAADLO c1cn2nnnc2c(NC[C@@H]2C[NH+]3CCN2CC3)n1 ZINC000532618050 409704903 /nfs/dbraw/zinc/70/49/03/409704903.db2.gz HJOSKVKVEANKCJ-SECBINFHSA-N 1 2 260.305 -1.069 20 0 CAADLO CCc1cc(NC(=O)CN2CC[NH2+]CC2=O)n[nH]1 ZINC000645768621 409709006 /nfs/dbraw/zinc/70/90/06/409709006.db2.gz VHWFIJSIJXYMSD-UHFFFAOYSA-N 1 2 251.290 -0.658 20 0 CAADLO C[C@H](C(=O)NCCNc1cnccn1)N1CC[NH2+]CC1=O ZINC000638068942 409643759 /nfs/dbraw/zinc/64/37/59/409643759.db2.gz ZDPMFJCJIZJXKU-SNVBAGLBSA-N 1 2 292.343 -1.175 20 0 CAADLO Cn1ncc2c1nc(NCCCCS(N)(=O)=O)[nH+]c2N ZINC000338733574 409645517 /nfs/dbraw/zinc/64/55/17/409645517.db2.gz GUXTYFPEOFOHPQ-UHFFFAOYSA-N 1 2 299.360 -0.574 20 0 CAADLO C[C@H](CNc1nc2c(cnn2C)c(N)[nH+]1)S(N)(=O)=O ZINC000436420615 409647146 /nfs/dbraw/zinc/64/71/46/409647146.db2.gz MOUCHWRKWDWEMG-RXMQYKEDSA-N 1 2 285.333 -0.966 20 0 CAADLO C[C@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2ccon2)CC1 ZINC000427022073 409650318 /nfs/dbraw/zinc/65/03/18/409650318.db2.gz HXJWLQBLFXJNAX-VIFPVBQESA-N 1 2 282.300 -0.862 20 0 CAADLO C[N@@H+]1CCOC[C@H]1CNc1cc(C(N)=O)ncn1 ZINC000641678189 409651869 /nfs/dbraw/zinc/65/18/69/409651869.db2.gz KQLOODWUWKNXEB-MRVPVSSYSA-N 1 2 251.290 -0.682 20 0 CAADLO C[N@H+]1CCOC[C@H]1CNc1cc(C(N)=O)ncn1 ZINC000641678189 409651873 /nfs/dbraw/zinc/65/18/73/409651873.db2.gz KQLOODWUWKNXEB-MRVPVSSYSA-N 1 2 251.290 -0.682 20 0 CAADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)Nc1ccn(C)n1 ZINC000435135195 409652912 /nfs/dbraw/zinc/65/29/12/409652912.db2.gz MZAVJGYUAAYSOY-NSHDSACASA-N 1 2 297.359 -0.423 20 0 CAADLO C[N@@H+]1CCO[C@H](CNc2cc(C(N)=O)ncn2)C1 ZINC000641322586 409653340 /nfs/dbraw/zinc/65/33/40/409653340.db2.gz VQDGOHGWYVKXTD-MRVPVSSYSA-N 1 2 251.290 -0.682 20 0 CAADLO C[N@H+]1CCO[C@H](CNc2cc(C(N)=O)ncn2)C1 ZINC000641322586 409653349 /nfs/dbraw/zinc/65/33/49/409653349.db2.gz VQDGOHGWYVKXTD-MRVPVSSYSA-N 1 2 251.290 -0.682 20 0 CAADLO C[C@H]1OCC[NH2+][C@@H]1C(=O)Nc1ccn(CC(=O)N(C)C)n1 ZINC000436872311 409655998 /nfs/dbraw/zinc/65/59/98/409655998.db2.gz KGFNKGAPDMZIQU-SKDRFNHKSA-N 1 2 295.343 -0.713 20 0 CAADLO C[C@H]1CN(C(=O)C(=O)Nc2ccn(C)n2)CC[N@@H+]1CCO ZINC000427433825 409658232 /nfs/dbraw/zinc/65/82/32/409658232.db2.gz DNBNIUAWSZOXRW-JTQLQIEISA-N 1 2 295.343 -1.116 20 0 CAADLO C[C@H]1CN(C(=O)C(=O)Nc2ccn(C)n2)CC[N@H+]1CCO ZINC000427433825 409658240 /nfs/dbraw/zinc/65/82/40/409658240.db2.gz DNBNIUAWSZOXRW-JTQLQIEISA-N 1 2 295.343 -1.116 20 0 CAADLO C[C@H]1COCC[N@@H+]1CCNC(=O)C(=O)Nc1ccn(C)n1 ZINC000347913776 409658562 /nfs/dbraw/zinc/65/85/62/409658562.db2.gz GPSSDYBTGIDTTM-JTQLQIEISA-N 1 2 295.343 -0.805 20 0 CAADLO C[C@H]1COCC[N@H+]1CCNC(=O)C(=O)Nc1ccn(C)n1 ZINC000347913776 409658570 /nfs/dbraw/zinc/65/85/70/409658570.db2.gz GPSSDYBTGIDTTM-JTQLQIEISA-N 1 2 295.343 -0.805 20 0 CAADLO CNS(=O)(=O)CCNc1nc(N(C)C)nc(C)[nH+]1 ZINC000438893010 409662054 /nfs/dbraw/zinc/66/20/54/409662054.db2.gz DVBMXIUPWBVXRC-UHFFFAOYSA-N 1 2 274.350 -0.793 20 0 CAADLO CNS(=O)(=O)CCNc1nc(C)[nH+]c(N(C)C)n1 ZINC000438893010 409662065 /nfs/dbraw/zinc/66/20/65/409662065.db2.gz DVBMXIUPWBVXRC-UHFFFAOYSA-N 1 2 274.350 -0.793 20 0 CAADLO NC(=O)c1cc(NCC[NH+]2CCOCC2)ncn1 ZINC000641252830 409662732 /nfs/dbraw/zinc/66/27/32/409662732.db2.gz SXMSRTOMOCBCBP-UHFFFAOYSA-N 1 2 251.290 -0.680 20 0 CAADLO COc1cncc(NC(=O)C(=O)N2CC[NH+](C)CC2)n1 ZINC000576760100 409711080 /nfs/dbraw/zinc/71/10/80/409711080.db2.gz JJHCKXRUDAUZSB-UHFFFAOYSA-N 1 2 279.300 -0.802 20 0 CAADLO CNc1cc2c(nn1)CC[N@H+](CCN1C(=O)CNC1=O)C2 ZINC000591867553 409666409 /nfs/dbraw/zinc/66/64/09/409666409.db2.gz GDIHCIOPOIHAQH-UHFFFAOYSA-N 1 2 290.327 -0.572 20 0 CAADLO CNc1cc2c(nn1)CC[N@@H+](CCN1C(=O)CNC1=O)C2 ZINC000591867553 409666417 /nfs/dbraw/zinc/66/64/17/409666417.db2.gz GDIHCIOPOIHAQH-UHFFFAOYSA-N 1 2 290.327 -0.572 20 0 CAADLO CNc1cc2c(nn1)CC[N@H+](CC(=O)N1CCNC1=O)C2 ZINC000591867658 409667873 /nfs/dbraw/zinc/66/78/73/409667873.db2.gz HLVGIYJISZPERH-UHFFFAOYSA-N 1 2 290.327 -0.572 20 0 CAADLO CNc1cc2c(nn1)CC[N@@H+](CC(=O)N1CCNC1=O)C2 ZINC000591867658 409667886 /nfs/dbraw/zinc/66/78/86/409667886.db2.gz HLVGIYJISZPERH-UHFFFAOYSA-N 1 2 290.327 -0.572 20 0 CAADLO CNc1cc2c(nn1)CC[N@H+](CCCS(N)(=O)=O)C2 ZINC000591867204 409668644 /nfs/dbraw/zinc/66/86/44/409668644.db2.gz BTKKTYMZTRBJKL-UHFFFAOYSA-N 1 2 285.373 -0.445 20 0 CAADLO CNc1cc2c(nn1)CC[N@@H+](CCCS(N)(=O)=O)C2 ZINC000591867204 409668647 /nfs/dbraw/zinc/66/86/47/409668647.db2.gz BTKKTYMZTRBJKL-UHFFFAOYSA-N 1 2 285.373 -0.445 20 0 CAADLO CNc1cc2c(nn1)CC[N@H+](CCNS(C)(=O)=O)C2 ZINC000593297346 409668825 /nfs/dbraw/zinc/66/88/25/409668825.db2.gz YOCSHMMTEGKKNE-UHFFFAOYSA-N 1 2 285.373 -0.574 20 0 CAADLO CNc1cc2c(nn1)CC[N@@H+](CCNS(C)(=O)=O)C2 ZINC000593297346 409668829 /nfs/dbraw/zinc/66/88/29/409668829.db2.gz YOCSHMMTEGKKNE-UHFFFAOYSA-N 1 2 285.373 -0.574 20 0 CAADLO Cc1cc(NC(=O)C(=O)N2CC[NH+](CCO)CC2)nn1C ZINC000330809784 409676305 /nfs/dbraw/zinc/67/63/05/409676305.db2.gz ARAYJUBEZCXVOS-UHFFFAOYSA-N 1 2 295.343 -1.196 20 0 CAADLO COC(=O)CCNC(=O)CCNc1nc[nH+]c(N)c1OC ZINC000599169377 409677112 /nfs/dbraw/zinc/67/71/12/409677112.db2.gz AWTYTRZPOISQCA-UHFFFAOYSA-N 1 2 297.315 -0.451 20 0 CAADLO COC(=O)CCNC(=O)CCNc1[nH+]cnc(N)c1OC ZINC000599169377 409677119 /nfs/dbraw/zinc/67/71/19/409677119.db2.gz AWTYTRZPOISQCA-UHFFFAOYSA-N 1 2 297.315 -0.451 20 0 CAADLO Cc1cc(NC(=O)C(=O)N2CC[NH+](C[C@@H](C)O)CC2)no1 ZINC000444391191 409678342 /nfs/dbraw/zinc/67/83/42/409678342.db2.gz YXMRQAGNMOXDJR-SECBINFHSA-N 1 2 296.327 -0.553 20 0 CAADLO COC(=O)Cn1ccc(NC(=O)[C@@H]2COCC[NH2+]2)n1 ZINC000429980784 409679860 /nfs/dbraw/zinc/67/98/60/409679860.db2.gz CRGBZJLVVGAYCU-QMMMGPOBSA-N 1 2 268.273 -1.017 20 0 CAADLO COC(=O)c1cn(CCNc2nc[nH+]c(N)c2OC)nn1 ZINC000594578388 409687509 /nfs/dbraw/zinc/68/75/09/409687509.db2.gz BBXFLGDKVWYKBJ-UHFFFAOYSA-N 1 2 293.287 -0.442 20 0 CAADLO COC(=O)c1cn(CCNc2[nH+]cnc(N)c2OC)nn1 ZINC000594578388 409687524 /nfs/dbraw/zinc/68/75/24/409687524.db2.gz BBXFLGDKVWYKBJ-UHFFFAOYSA-N 1 2 293.287 -0.442 20 0 CAADLO COC(=O)c1cnc(NCCC[N@@H+]2CCNC(=O)C2)nc1 ZINC000342774683 409687813 /nfs/dbraw/zinc/68/78/13/409687813.db2.gz DXQNPJUHDQGITC-UHFFFAOYSA-N 1 2 293.327 -0.503 20 0 CAADLO COC(=O)c1cnc(NCCC[N@H+]2CCNC(=O)C2)nc1 ZINC000342774683 409687822 /nfs/dbraw/zinc/68/78/22/409687822.db2.gz DXQNPJUHDQGITC-UHFFFAOYSA-N 1 2 293.327 -0.503 20 0 CAADLO Cc1cc(NC(=O)NC[C@@H](O)C[NH+]2CCOCC2)nn1C ZINC000332566404 409690013 /nfs/dbraw/zinc/69/00/13/409690013.db2.gz UJOIKZOCNUEAQV-LLVKDONJSA-N 1 2 297.359 -0.457 20 0 CAADLO C[C@@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2ccon2)CC1 ZINC000445160690 409721699 /nfs/dbraw/zinc/72/16/99/409721699.db2.gz HXJWLQBLFXJNAX-SECBINFHSA-N 1 2 282.300 -0.862 20 0 CAADLO CN(C)c1nc(N)nc(C[N@@H+]2C[C@H]3C[C@@]3(O)C2)n1 ZINC000640482871 409729593 /nfs/dbraw/zinc/72/95/93/409729593.db2.gz LQVHTMJDMLDHEC-RDDDGLTNSA-N 1 2 250.306 -0.914 20 0 CAADLO CN(C)c1nc(N)nc(C[N@H+]2C[C@H]3C[C@@]3(O)C2)n1 ZINC000640482871 409729601 /nfs/dbraw/zinc/72/96/01/409729601.db2.gz LQVHTMJDMLDHEC-RDDDGLTNSA-N 1 2 250.306 -0.914 20 0 CAADLO CN(C)c1nc(N)nc(C[N@H+](C)CCOCCO)n1 ZINC000336809142 409729804 /nfs/dbraw/zinc/72/98/04/409729804.db2.gz UHLONXJMGPLUBW-UHFFFAOYSA-N 1 2 270.337 -1.040 20 0 CAADLO CN(C)c1nc(N)nc(C[N@@H+](C)CCOCCO)n1 ZINC000336809142 409729813 /nfs/dbraw/zinc/72/98/13/409729813.db2.gz UHLONXJMGPLUBW-UHFFFAOYSA-N 1 2 270.337 -1.040 20 0 CAADLO CN(CC[NH+]1CCOCC1)C(=O)Cn1cnc(N)n1 ZINC000630896903 409735026 /nfs/dbraw/zinc/73/50/26/409735026.db2.gz FPONHJLSYNCZQM-UHFFFAOYSA-N 1 2 268.321 -1.349 20 0 CAADLO CN1CCN(C(=O)C(=O)Nc2ccc(N)[nH+]c2)CC1=O ZINC000652633266 409736811 /nfs/dbraw/zinc/73/68/11/409736811.db2.gz ILYZSCXGIREPII-UHFFFAOYSA-N 1 2 277.284 -1.097 20 0 CAADLO C[N@@H+]1CCO[C@H](CNC(=O)NCCc2nc(N)no2)C1 ZINC000533333006 409740445 /nfs/dbraw/zinc/74/04/45/409740445.db2.gz UVFKNRFYINYXBE-MRVPVSSYSA-N 1 2 284.320 -1.176 20 0 CAADLO C[N@H+]1CCO[C@H](CNC(=O)NCCc2nc(N)no2)C1 ZINC000533333006 409740453 /nfs/dbraw/zinc/74/04/53/409740453.db2.gz UVFKNRFYINYXBE-MRVPVSSYSA-N 1 2 284.320 -1.176 20 0 CAADLO CO[C@H]1C[C@@H](CO)[N@H+](Cc2nc(N)nc(N(C)C)n2)C1 ZINC000344713635 409740616 /nfs/dbraw/zinc/74/06/16/409740616.db2.gz MOVZBCXLRKLEOA-IUCAKERBSA-N 1 2 282.348 -0.899 20 0 CAADLO CO[C@H]1C[C@@H](CO)[N@@H+](Cc2nc(N)nc(N(C)C)n2)C1 ZINC000344713635 409740621 /nfs/dbraw/zinc/74/06/21/409740621.db2.gz MOVZBCXLRKLEOA-IUCAKERBSA-N 1 2 282.348 -0.899 20 0 CAADLO Nc1nc(=NC[C@@H](O)C[NH+]2CCOCC2)nc2[nH][nH]cc1-2 ZINC000354520817 409747101 /nfs/dbraw/zinc/74/71/01/409747101.db2.gz FFWPKWVKIJOCAP-MRVPVSSYSA-N 1 2 293.331 -1.586 20 0 CAADLO Nc1ncn(CC(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)n1 ZINC000633319751 409748657 /nfs/dbraw/zinc/74/86/57/409748657.db2.gz MMGBCMHKIPLHAH-AOOOYVTPSA-N 1 2 280.332 -1.160 20 0 CAADLO Nc1ncn(CC(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)n1 ZINC000633319751 409748665 /nfs/dbraw/zinc/74/86/65/409748665.db2.gz MMGBCMHKIPLHAH-AOOOYVTPSA-N 1 2 280.332 -1.160 20 0 CAADLO Cc1nc(N(C)C)nc(NCCc2nc(N)n[nH]2)[nH+]1 ZINC000647842818 409749010 /nfs/dbraw/zinc/74/90/10/409749010.db2.gz MHMPDBFHXPWTTD-UHFFFAOYSA-N 1 2 263.309 -0.977 20 0 CAADLO Cc1nc(NCCc2nc(N)n[nH]2)nc(N(C)C)[nH+]1 ZINC000647842818 409749014 /nfs/dbraw/zinc/74/90/14/409749014.db2.gz MHMPDBFHXPWTTD-UHFFFAOYSA-N 1 2 263.309 -0.977 20 0 CAADLO Cc1nc(N)c(CNC(=O)c2nc3n(n2)CCCN3)c[nH+]1 ZINC000614740991 409750822 /nfs/dbraw/zinc/75/08/22/409750822.db2.gz JDPAVOJEQNDDBY-UHFFFAOYSA-N 1 2 288.315 -1.038 20 0 CAADLO Cc1nc(N)c(CNC(=O)CN2CCOCC2=O)c[nH+]1 ZINC000560500316 409750873 /nfs/dbraw/zinc/75/08/73/409750873.db2.gz WEBAIWRUGJGSMD-UHFFFAOYSA-N 1 2 279.300 -1.158 20 0 CAADLO Nc1nsc(N2CC[NH+]([C@@H]3COC[C@@H]3O)CC2)n1 ZINC000361328050 409751357 /nfs/dbraw/zinc/75/13/57/409751357.db2.gz GMRUSEICVSXXFG-SFYZADRCSA-N 1 2 271.346 -0.998 20 0 CAADLO C[C@@H]1CN(C(=O)C(=O)Nc2ccon2)CC[N@@H+]1CCO ZINC000427394813 409720151 /nfs/dbraw/zinc/72/01/51/409720151.db2.gz LASVEDUGADBCCW-SECBINFHSA-N 1 2 282.300 -0.862 20 0 CAADLO C[C@@H]1CN(C(=O)C(=O)Nc2ccon2)CC[N@H+]1CCO ZINC000427394813 409720165 /nfs/dbraw/zinc/72/01/65/409720165.db2.gz LASVEDUGADBCCW-SECBINFHSA-N 1 2 282.300 -0.862 20 0 CAADLO NC(=O)C(=O)N[C@@H]1C[N@H+](C[C@H](O)CC(F)(F)F)C[C@H]1O ZINC001195716929 782014195 /nfs/dbraw/zinc/01/41/95/782014195.db2.gz FKBSPOLHWPELNI-FSDSQADBSA-N 1 2 299.249 -2.054 20 0 CAADLO NC(=O)C(=O)N[C@@H]1C[N@@H+](C[C@H](O)CC(F)(F)F)C[C@H]1O ZINC001195716929 782014198 /nfs/dbraw/zinc/01/41/98/782014198.db2.gz FKBSPOLHWPELNI-FSDSQADBSA-N 1 2 299.249 -2.054 20 0 CAADLO NC(=O)C(=O)N[C@@H]1C[N@H+](CCOCC(F)F)C[C@H]1O ZINC001195718439 782013721 /nfs/dbraw/zinc/01/37/21/782013721.db2.gz YUKFTRSCJHASRJ-RNFRBKRXSA-N 1 2 281.259 -2.085 20 0 CAADLO NC(=O)C(=O)N[C@@H]1C[N@@H+](CCOCC(F)F)C[C@H]1O ZINC001195718439 782013727 /nfs/dbraw/zinc/01/37/27/782013727.db2.gz YUKFTRSCJHASRJ-RNFRBKRXSA-N 1 2 281.259 -2.085 20 0 CAADLO C[C@@H](CC(=O)N1CCC[N@@H+]([C@@H](C)C(N)=O)CC1)NC(N)=O ZINC001195853850 782018742 /nfs/dbraw/zinc/01/87/42/782018742.db2.gz OZIKBMPPHHGPEH-UWVGGRQHSA-N 1 2 299.375 -1.159 20 0 CAADLO C[C@@H](CC(=O)N1CCC[N@H+]([C@@H](C)C(N)=O)CC1)NC(N)=O ZINC001195853850 782018746 /nfs/dbraw/zinc/01/87/46/782018746.db2.gz OZIKBMPPHHGPEH-UWVGGRQHSA-N 1 2 299.375 -1.159 20 0 CAADLO CNC(=O)C[N@@H+]1CCCN(C(=O)C[C@H](C)NC(N)=O)CC1 ZINC001195833071 782018839 /nfs/dbraw/zinc/01/88/39/782018839.db2.gz YBTNBWOHIRGAEK-JTQLQIEISA-N 1 2 299.375 -1.286 20 0 CAADLO CNC(=O)C[N@H+]1CCCN(C(=O)C[C@H](C)NC(N)=O)CC1 ZINC001195833071 782018846 /nfs/dbraw/zinc/01/88/46/782018846.db2.gz YBTNBWOHIRGAEK-JTQLQIEISA-N 1 2 299.375 -1.286 20 0 CAADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)Cn2ncnn2)CC1 ZINC001195865223 782019155 /nfs/dbraw/zinc/01/91/55/782019155.db2.gz JWJNDWAZRWNVPF-UHFFFAOYSA-N 1 2 295.347 -1.657 20 0 CAADLO CCNC(=O)C[N@H+]1CCCN(C(=O)Cn2ncnn2)CC1 ZINC001195865223 782019163 /nfs/dbraw/zinc/01/91/63/782019163.db2.gz JWJNDWAZRWNVPF-UHFFFAOYSA-N 1 2 295.347 -1.657 20 0 CAADLO C[C@@H]1C(=O)NCC[N@H+]1Cc1cn(C)c(=O)n(C)c1=O ZINC000352972262 287186064 /nfs/dbraw/zinc/18/60/64/287186064.db2.gz INARJUQHNYBGCA-MRVPVSSYSA-N 1 2 266.301 -1.596 20 0 CAADLO C[C@@H]1C(=O)NCC[N@@H+]1Cc1cn(C)c(=O)n(C)c1=O ZINC000352972262 287186068 /nfs/dbraw/zinc/18/60/68/287186068.db2.gz INARJUQHNYBGCA-MRVPVSSYSA-N 1 2 266.301 -1.596 20 0 CAADLO C[C@H](CC(=O)N1CCC[N@@H+]([C@H](C)C(N)=O)CC1)NC(N)=O ZINC001195853848 782019555 /nfs/dbraw/zinc/01/95/55/782019555.db2.gz OZIKBMPPHHGPEH-NXEZZACHSA-N 1 2 299.375 -1.159 20 0 CAADLO C[C@H](CC(=O)N1CCC[N@H+]([C@H](C)C(N)=O)CC1)NC(N)=O ZINC001195853848 782019576 /nfs/dbraw/zinc/01/95/76/782019576.db2.gz OZIKBMPPHHGPEH-NXEZZACHSA-N 1 2 299.375 -1.159 20 0 CAADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H]1CCC(=O)N1 ZINC000005013421 170055432 /nfs/dbraw/zinc/05/54/32/170055432.db2.gz OYBCNAPVAXUGLB-BDAKNGLRSA-N 1 2 280.284 -1.111 20 0 CAADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H]1CCC(=O)N1 ZINC000005013421 170055433 /nfs/dbraw/zinc/05/54/33/170055433.db2.gz OYBCNAPVAXUGLB-BDAKNGLRSA-N 1 2 280.284 -1.111 20 0 CAADLO NC(=O)N1CCC[C@@H](C(=O)N2CC[NH+](CCO)CC2)C1 ZINC000035187921 172042623 /nfs/dbraw/zinc/04/26/23/172042623.db2.gz KYOSEHDBVVSRSZ-LLVKDONJSA-N 1 2 284.360 -1.086 20 0 CAADLO CN1N=C(C(=O)N2CC[NH+](CCO)CC2)CCC1=O ZINC000035187930 172042822 /nfs/dbraw/zinc/04/28/22/172042822.db2.gz PDZIDGVGKYQXAF-UHFFFAOYSA-N 1 2 268.317 -1.269 20 0 CAADLO O=S(=O)(N1CCCC1)N1CC[NH+](CCO)CC1 ZINC000035188960 172044040 /nfs/dbraw/zinc/04/40/40/172044040.db2.gz KOXPYZTWOTWJQX-UHFFFAOYSA-N 1 2 263.363 -1.063 20 0 CAADLO C[C@@H](C(=O)N1CC[NH+](CCO)CC1)n1cncn1 ZINC000035200277 172045014 /nfs/dbraw/zinc/04/50/14/172045014.db2.gz NTXAUBKZMBPXSW-JTQLQIEISA-N 1 2 253.306 -1.024 20 0 CAADLO CCN1C[C@H](C(=O)N2CC[NH+](CCO)CC2)CC1=O ZINC000035205932 172050016 /nfs/dbraw/zinc/05/00/16/172050016.db2.gz LIYXLKSLLBNYFD-LLVKDONJSA-N 1 2 269.345 -1.009 20 0 CAADLO O=C([C@@H]1CSC(=O)N1)N1CC[NH+](CCO)CC1 ZINC000035609656 172295319 /nfs/dbraw/zinc/29/53/19/172295319.db2.gz UGSDPUNKHRDVOW-QMMMGPOBSA-N 1 2 259.331 -1.052 20 0 CAADLO CCOC(=O)CS(=O)(=O)N1CC[NH+](CCCO)CC1 ZINC001195948223 782022295 /nfs/dbraw/zinc/02/22/95/782022295.db2.gz YFIPRDXJQIIVLS-UHFFFAOYSA-N 1 2 294.373 -1.121 20 0 CAADLO Cn1cc(CC(=O)NCCC[N@@H+]2CCNC(=O)C2)cn1 ZINC000344748822 225149173 /nfs/dbraw/zinc/14/91/73/225149173.db2.gz VTBOXACPWWCMKT-UHFFFAOYSA-N 1 2 279.344 -1.099 20 0 CAADLO Cn1cc(CC(=O)NCCC[N@H+]2CCNC(=O)C2)cn1 ZINC000344748822 225149180 /nfs/dbraw/zinc/14/91/80/225149180.db2.gz VTBOXACPWWCMKT-UHFFFAOYSA-N 1 2 279.344 -1.099 20 0 CAADLO Cn1ccc(C(=O)NCCC[N@@H+]2CCNC(=O)C2)cc1=O ZINC000344650993 225133803 /nfs/dbraw/zinc/13/38/03/225133803.db2.gz BNNBNDORWNMJAJ-UHFFFAOYSA-N 1 2 292.339 -1.063 20 0 CAADLO Cn1ccc(C(=O)NCCC[N@H+]2CCNC(=O)C2)cc1=O ZINC000344650993 225133809 /nfs/dbraw/zinc/13/38/09/225133809.db2.gz BNNBNDORWNMJAJ-UHFFFAOYSA-N 1 2 292.339 -1.063 20 0 CAADLO C[C@H](C(=O)NCCC[N@@H+]1CCNC(=O)C1)N1CCOCC1 ZINC000344709126 225153662 /nfs/dbraw/zinc/15/36/62/225153662.db2.gz CFAAOTNPQCPRLM-GFCCVEGCSA-N 1 2 298.387 -1.355 20 0 CAADLO C[C@H](C(=O)NCCC[N@H+]1CCNC(=O)C1)N1CCOCC1 ZINC000344709126 225153666 /nfs/dbraw/zinc/15/36/66/225153666.db2.gz CFAAOTNPQCPRLM-GFCCVEGCSA-N 1 2 298.387 -1.355 20 0 CAADLO C[C@H](NC(=O)C[N@@H+]1CCC[C@@H]1C(N)=O)C(=O)N(C)C ZINC000051562765 299051973 /nfs/dbraw/zinc/05/19/73/299051973.db2.gz WSQKESTYUVQAGN-DTWKUNHWSA-N 1 2 270.333 -1.471 20 0 CAADLO C[C@H](NC(=O)C[N@H+]1CCC[C@@H]1C(N)=O)C(=O)N(C)C ZINC000051562765 299051975 /nfs/dbraw/zinc/05/19/75/299051975.db2.gz WSQKESTYUVQAGN-DTWKUNHWSA-N 1 2 270.333 -1.471 20 0 CAADLO Cc1nc(CN(C)C(=O)CN2CC[NH2+]CC2=O)no1 ZINC000347665755 226216268 /nfs/dbraw/zinc/21/62/68/226216268.db2.gz IQMNGEUJKRHABU-UHFFFAOYSA-N 1 2 267.289 -1.232 20 0 CAADLO Cc1n[nH]cc1C(=O)NCC(=O)NCC[NH+]1CCOCC1 ZINC000347910436 226385309 /nfs/dbraw/zinc/38/53/09/226385309.db2.gz KNDCBOXRJFFGAE-UHFFFAOYSA-N 1 2 295.343 -1.104 20 0 CAADLO COC(C)(C)C(=O)NCC(=O)NCC[NH+]1CCOCC1 ZINC000347887756 226382752 /nfs/dbraw/zinc/38/27/52/226382752.db2.gz BVJWFWNRMNTMSM-UHFFFAOYSA-N 1 2 287.360 -1.024 20 0 CAADLO COCCCC(=O)NCC(=O)NCC[NH+]1CCOCC1 ZINC000347889058 226383553 /nfs/dbraw/zinc/38/35/53/226383553.db2.gz DSKATKUQKOCVGY-UHFFFAOYSA-N 1 2 287.360 -1.022 20 0 CAADLO C[C@H](O)[C@H](NC(=O)C1CC1)C(=O)NCC[NH+]1CCOCC1 ZINC000354412342 226982870 /nfs/dbraw/zinc/98/28/70/226982870.db2.gz KLPGOITXFOWMIV-JQWIXIFHSA-N 1 2 299.371 -1.290 20 0 CAADLO COC[C@@H](CO)NS(=O)(=O)CCC[NH+]1CCOCC1 ZINC000352524115 227030331 /nfs/dbraw/zinc/03/03/31/227030331.db2.gz VWSQAPRXNVNWHR-LLVKDONJSA-N 1 2 296.389 -1.365 20 0 CAADLO C[C@H](C(=O)NCCCS(N)(=O)=O)[NH+]1CCOCC1 ZINC000354706784 227078396 /nfs/dbraw/zinc/07/83/96/227078396.db2.gz YWKVSQGIRDTPST-SECBINFHSA-N 1 2 279.362 -1.498 20 0 CAADLO C[C@@H]1C[N@H+](CC(=O)N2CCOCC2)C[C@H](CO)O1 ZINC000191769758 227149009 /nfs/dbraw/zinc/14/90/09/227149009.db2.gz KSCJQKZUNJVQFO-GHMZBOCLSA-N 1 2 258.318 -1.073 20 0 CAADLO C[C@@H]1C[N@@H+](CC(=O)N2CCOCC2)C[C@H](CO)O1 ZINC000191769758 227149011 /nfs/dbraw/zinc/14/90/11/227149011.db2.gz KSCJQKZUNJVQFO-GHMZBOCLSA-N 1 2 258.318 -1.073 20 0 CAADLO COCCOCC[N@@H+]1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000352775089 227211207 /nfs/dbraw/zinc/21/12/07/227211207.db2.gz XNLMMEBOSOKUDH-SECBINFHSA-N 1 2 257.290 -1.115 20 0 CAADLO COCCOCC[N@H+]1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000352775089 227211212 /nfs/dbraw/zinc/21/12/12/227211212.db2.gz XNLMMEBOSOKUDH-SECBINFHSA-N 1 2 257.290 -1.115 20 0 CAADLO NC(=O)[C@@]1(O)CCN(C(=O)C2([NH+]3CCOCC3)CCC2)C1 ZINC000355055208 227350313 /nfs/dbraw/zinc/35/03/13/227350313.db2.gz ALKNAYIJHHEPMK-CQSZACIVSA-N 1 2 297.355 -1.310 20 0 CAADLO CN(C)C(=O)[C@H]1CC[C@@H](C(=O)N2CC[NH+](CCO)CC2)O1 ZINC000329268689 227397170 /nfs/dbraw/zinc/39/71/70/227397170.db2.gz IEOICUQVCMEQDU-NEPJUHHUSA-N 1 2 299.371 -1.241 20 0 CAADLO O=C1N=NC2CN(C[C@H](O)C[NH+]3CCOCC3)CCN12 ZINC000329990416 228009572 /nfs/dbraw/zinc/00/95/72/228009572.db2.gz IYLJLSKWLYFDOM-SNVBAGLBSA-N 1 2 283.332 -1.508 20 0 CAADLO COCCCNC(=O)[C@H](C)[N@@H+]1CCO[C@@H](C(N)=O)C1 ZINC000353463211 228106682 /nfs/dbraw/zinc/10/66/82/228106682.db2.gz VPDUCZLGPPYZAT-VHSXEESVSA-N 1 2 273.333 -1.286 20 0 CAADLO COCCCNC(=O)[C@H](C)[N@H+]1CCO[C@@H](C(N)=O)C1 ZINC000353463211 228106684 /nfs/dbraw/zinc/10/66/84/228106684.db2.gz VPDUCZLGPPYZAT-VHSXEESVSA-N 1 2 273.333 -1.286 20 0 CAADLO C[C@H]1C[C@H](O)C[N@@H+]1Cc1nc2c([nH]1)n(C)c(=O)n(C)c2=O ZINC000331527839 228109576 /nfs/dbraw/zinc/10/95/76/228109576.db2.gz QODAWUOWCWPSAP-YUMQZZPRSA-N 1 2 293.327 -1.085 20 0 CAADLO C[C@H]1C[C@H](O)C[N@H+]1Cc1nc2c([nH]1)n(C)c(=O)n(C)c2=O ZINC000331527839 228109577 /nfs/dbraw/zinc/10/95/77/228109577.db2.gz QODAWUOWCWPSAP-YUMQZZPRSA-N 1 2 293.327 -1.085 20 0 CAADLO C[C@H]1C[C@@H](O)C[N@@H+]1Cc1nc2c([nH]1)n(C)c(=O)n(C)c2=O ZINC000331527826 228109586 /nfs/dbraw/zinc/10/95/86/228109586.db2.gz QODAWUOWCWPSAP-JGVFFNPUSA-N 1 2 293.327 -1.085 20 0 CAADLO C[C@H]1C[C@@H](O)C[N@H+]1Cc1nc2c([nH]1)n(C)c(=O)n(C)c2=O ZINC000331527826 228109588 /nfs/dbraw/zinc/10/95/88/228109588.db2.gz QODAWUOWCWPSAP-JGVFFNPUSA-N 1 2 293.327 -1.085 20 0 CAADLO CCS(=O)(=O)NCC(=O)NCC[NH+]1CCOCC1 ZINC000036105795 228057316 /nfs/dbraw/zinc/05/73/16/228057316.db2.gz HQCRDYSADKKGCC-UHFFFAOYSA-N 1 2 279.362 -1.626 20 0 CAADLO Cn1cc[nH+]c1CN1CCN(C(=O)Cn2cnnn2)CC1 ZINC000331852858 228133711 /nfs/dbraw/zinc/13/37/11/228133711.db2.gz ORPKPHIYZPGNSI-UHFFFAOYSA-N 1 2 290.331 -1.249 20 0 CAADLO Cc1noc(CCC[N@@H+]2CCN3C(=O)C(=O)NC[C@@H]3C2)n1 ZINC000332156052 228150527 /nfs/dbraw/zinc/15/05/27/228150527.db2.gz UHNCGJSBWDXUPA-SNVBAGLBSA-N 1 2 293.327 -1.047 20 0 CAADLO Cc1noc(CCC[N@H+]2CCN3C(=O)C(=O)NC[C@@H]3C2)n1 ZINC000332156052 228150529 /nfs/dbraw/zinc/15/05/29/228150529.db2.gz UHNCGJSBWDXUPA-SNVBAGLBSA-N 1 2 293.327 -1.047 20 0 CAADLO COCC(=O)NC1CN(C(=O)[C@@H](C)[NH+]2CCN(C)CC2)C1 ZINC000332482432 228160544 /nfs/dbraw/zinc/16/05/44/228160544.db2.gz VPENRTQXMWKZKY-LLVKDONJSA-N 1 2 298.387 -1.404 20 0 CAADLO O=C(Cn1cccn1)NC[C@@H](O)C[NH+]1CCOCC1 ZINC000332576258 228163535 /nfs/dbraw/zinc/16/35/35/228163535.db2.gz YWAHMJNDSMXVQI-LLVKDONJSA-N 1 2 268.317 -1.308 20 0 CAADLO O=C(Cn1cccn1)NC[C@H](O)C[NH+]1CCOCC1 ZINC000332576259 228163596 /nfs/dbraw/zinc/16/35/96/228163596.db2.gz YWAHMJNDSMXVQI-NSHDSACASA-N 1 2 268.317 -1.308 20 0 CAADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)CN1CN=NC1=O ZINC000333037184 228188204 /nfs/dbraw/zinc/18/82/04/228188204.db2.gz IVRCQQOLIFUZMO-SECBINFHSA-N 1 2 269.305 -1.179 20 0 CAADLO C[C@@H]1COCC[N@H+]1CCNC(=O)CN1CN=NC1=O ZINC000333037184 228188205 /nfs/dbraw/zinc/18/82/05/228188205.db2.gz IVRCQQOLIFUZMO-SECBINFHSA-N 1 2 269.305 -1.179 20 0 CAADLO C[C@H]1C[C@@H](C(=O)NCC(=O)NCC[NH+]2CCOCC2)CO1 ZINC000333281762 228195753 /nfs/dbraw/zinc/19/57/53/228195753.db2.gz JBYUMOAXHAGANU-NWDGAFQWSA-N 1 2 299.371 -1.024 20 0 CAADLO C[C@H]1C[C@H](C(=O)NCC(=O)NCC[NH+]2CCOCC2)CO1 ZINC000333281763 228195793 /nfs/dbraw/zinc/19/57/93/228195793.db2.gz JBYUMOAXHAGANU-RYUDHWBXSA-N 1 2 299.371 -1.024 20 0 CAADLO C[C@H]1CN(C(=O)NCC[NH+]2CCOCC2)CC(=O)N1 ZINC000333709344 228211114 /nfs/dbraw/zinc/21/11/14/228211114.db2.gz GDOIVNXGBIAZEB-JTQLQIEISA-N 1 2 270.333 -1.152 20 0 CAADLO O=C1CN(C[C@H](O)C[NH+]2CCOCC2)CN1C1CC1 ZINC000333372855 228198580 /nfs/dbraw/zinc/19/85/80/228198580.db2.gz ZVFOONREBBJOCG-GFCCVEGCSA-N 1 2 269.345 -1.056 20 0 CAADLO O=C(C(=O)N1CC[NH+](CCOCCO)CC1)N1CCCC1 ZINC000352247803 228206509 /nfs/dbraw/zinc/20/65/09/228206509.db2.gz QPAVWRAQEDIEOT-UHFFFAOYSA-N 1 2 299.371 -1.238 20 0 CAADLO CCOC(=O)CS(=O)(=O)NCC[NH+]1CC2(COC2)C1 ZINC001195995079 782025033 /nfs/dbraw/zinc/02/50/33/782025033.db2.gz RHGFDXHIMRQMMJ-UHFFFAOYSA-N 1 2 292.357 -1.199 20 0 CAADLO COCCS(=O)(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000171094466 230188521 /nfs/dbraw/zinc/18/85/21/230188521.db2.gz JOWUDGCVTDIAIO-SECBINFHSA-N 1 2 252.336 -1.117 20 0 CAADLO CCS(=O)(=O)NCCS(=O)(=O)N1CC[NH+](C)CC1 ZINC000036647103 230155442 /nfs/dbraw/zinc/15/54/42/230155442.db2.gz WAYBXEYZSIGGIS-UHFFFAOYSA-N 1 2 299.418 -1.497 20 0 CAADLO COCCN1C[C@H](C(=O)N2CC[NH+](CCO)CC2)CC1=O ZINC000035200368 230156166 /nfs/dbraw/zinc/15/61/66/230156166.db2.gz OXSABIYIFWKIOD-GFCCVEGCSA-N 1 2 299.371 -1.382 20 0 CAADLO NC(=O)[C@@H]1C[N@H+](CCn2nc3ccccn3c2=O)CCO1 ZINC000051104541 230159142 /nfs/dbraw/zinc/15/91/42/230159142.db2.gz KKBJRPZGLFUIQJ-JTQLQIEISA-N 1 2 291.311 -1.318 20 0 CAADLO NC(=O)[C@@H]1C[N@@H+](CCn2nc3ccccn3c2=O)CCO1 ZINC000051104541 230159145 /nfs/dbraw/zinc/15/91/45/230159145.db2.gz KKBJRPZGLFUIQJ-JTQLQIEISA-N 1 2 291.311 -1.318 20 0 CAADLO CS(=O)(=O)N[C@@H]1CC[N@H+](CC(=O)NC2CC2)C1 ZINC000116891182 230173246 /nfs/dbraw/zinc/17/32/46/230173246.db2.gz FXOZCTXOOWECMV-SECBINFHSA-N 1 2 261.347 -1.112 20 0 CAADLO CS(=O)(=O)N[C@@H]1CC[N@@H+](CC(=O)NC2CC2)C1 ZINC000116891182 230173251 /nfs/dbraw/zinc/17/32/51/230173251.db2.gz FXOZCTXOOWECMV-SECBINFHSA-N 1 2 261.347 -1.112 20 0 CAADLO Cn1nccc1S(=O)(=O)N1CC[NH+](CCO)CC1 ZINC000129830476 230174560 /nfs/dbraw/zinc/17/45/60/230174560.db2.gz LRFAVFUMVROZBD-UHFFFAOYSA-N 1 2 274.346 -1.281 20 0 CAADLO Nc1c(C(=O)C[N@H+]2CC[C@@H](O)C2)c(=O)[nH]c(=O)n1C1CC1 ZINC000152423937 230179949 /nfs/dbraw/zinc/17/99/49/230179949.db2.gz IVWLWDJZHHQXPU-MRVPVSSYSA-N 1 2 294.311 -1.297 20 0 CAADLO Nc1c(C(=O)C[N@@H+]2CC[C@H](O)C2)c(=O)[nH]c(=O)n1C1CC1 ZINC000152423829 230181319 /nfs/dbraw/zinc/18/13/19/230181319.db2.gz IVWLWDJZHHQXPU-QMMMGPOBSA-N 1 2 294.311 -1.297 20 0 CAADLO Nc1c(C(=O)C[N@H+]2CC[C@H](O)C2)c(=O)[nH]c(=O)n1C1CC1 ZINC000152423829 230181326 /nfs/dbraw/zinc/18/13/26/230181326.db2.gz IVWLWDJZHHQXPU-QMMMGPOBSA-N 1 2 294.311 -1.297 20 0 CAADLO O=C(C[N@@H+](CCO)Cc1cccnc1)N1CCNC(=O)C1 ZINC000152330419 230181817 /nfs/dbraw/zinc/18/18/17/230181817.db2.gz ZAUZVCUDIZPRGZ-UHFFFAOYSA-N 1 2 292.339 -1.166 20 0 CAADLO O=C(C[N@H+](CCO)Cc1cccnc1)N1CCNC(=O)C1 ZINC000152330419 230181824 /nfs/dbraw/zinc/18/18/24/230181824.db2.gz ZAUZVCUDIZPRGZ-UHFFFAOYSA-N 1 2 292.339 -1.166 20 0 CAADLO O=C(CN1CC[NH2+]CC1=O)NCC(=O)N1CCCC1 ZINC000150865844 230181877 /nfs/dbraw/zinc/18/18/77/230181877.db2.gz YIHMPLRJLQRTND-UHFFFAOYSA-N 1 2 268.317 -1.843 20 0 CAADLO C[C@H](NC(=O)CN1CCNCC1=O)[C@H](C)[NH+]1CCOCC1 ZINC000167696372 230187910 /nfs/dbraw/zinc/18/79/10/230187910.db2.gz ZTBUMDZHPJHEEA-RYUDHWBXSA-N 1 2 298.387 -1.356 20 0 CAADLO C[C@H](NC(=O)CN1CC[NH2+]CC1=O)[C@H](C)N1CCOCC1 ZINC000167696372 230187915 /nfs/dbraw/zinc/18/79/15/230187915.db2.gz ZTBUMDZHPJHEEA-RYUDHWBXSA-N 1 2 298.387 -1.356 20 0 CAADLO COCCN1C[C@H](C(=O)NCC[NH+]2CCOCC2)CC1=O ZINC000170581175 230187982 /nfs/dbraw/zinc/18/79/82/230187982.db2.gz LEVSANUVUAXCPW-GFCCVEGCSA-N 1 2 299.371 -1.070 20 0 CAADLO COCCS(=O)(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000171094466 230188515 /nfs/dbraw/zinc/18/85/15/230188515.db2.gz JOWUDGCVTDIAIO-SECBINFHSA-N 1 2 252.336 -1.117 20 0 CAADLO COC[C@H]1C[N@@H+](Cc2cc(=O)n(C)c(=O)n2C)CCO1 ZINC000172889442 230190176 /nfs/dbraw/zinc/19/01/76/230190176.db2.gz ISRNGFFSBZDDIB-LLVKDONJSA-N 1 2 283.328 -1.069 20 0 CAADLO Cn1c2[nH]c(C[N@@H+]3CC[C@](C)(O)C3)nc2c(=O)n(C)c1=O ZINC000177996243 230191367 /nfs/dbraw/zinc/19/13/67/230191367.db2.gz NGDIHTQDHGDNNV-ZDUSSCGKSA-N 1 2 293.327 -1.083 20 0 CAADLO Cn1c2[nH]c(C[N@H+]3CC[C@](C)(O)C3)nc2c(=O)n(C)c1=O ZINC000177996243 230191370 /nfs/dbraw/zinc/19/13/70/230191370.db2.gz NGDIHTQDHGDNNV-ZDUSSCGKSA-N 1 2 293.327 -1.083 20 0 CAADLO O=C(CCN1C(=O)CCC1=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000178613107 230191859 /nfs/dbraw/zinc/19/18/59/230191859.db2.gz SQADRYGFSDVESW-NSHDSACASA-N 1 2 294.355 -1.359 20 0 CAADLO O=C(C[N@@H+]1CCN2C(=O)NC[C@H]2C1)N1CCOCC1 ZINC000175899341 230191941 /nfs/dbraw/zinc/19/19/41/230191941.db2.gz YUTIFGRUXROBGU-JTQLQIEISA-N 1 2 268.317 -1.445 20 0 CAADLO O=C(C[N@H+]1CCN2C(=O)NC[C@H]2C1)N1CCOCC1 ZINC000175899341 230191947 /nfs/dbraw/zinc/19/19/47/230191947.db2.gz YUTIFGRUXROBGU-JTQLQIEISA-N 1 2 268.317 -1.445 20 0 CAADLO O=C1NC[C@@H]2CN(C[C@H](O)C[NH+]3CCOCC3)CCN12 ZINC000176925947 230192198 /nfs/dbraw/zinc/19/21/98/230192198.db2.gz CSGOTYAHVVQWDN-VXGBXAGGSA-N 1 2 284.360 -1.611 20 0 CAADLO CCn1c(N)c(C(=O)C[N@@H+]2CC[C@](C)(O)C2)c(=O)[nH]c1=O ZINC000178005815 230192254 /nfs/dbraw/zinc/19/22/54/230192254.db2.gz RGVFKASGOMQTBP-ZDUSSCGKSA-N 1 2 296.327 -1.222 20 0 CAADLO CCn1c(N)c(C(=O)C[N@H+]2CC[C@](C)(O)C2)c(=O)[nH]c1=O ZINC000178005815 230192259 /nfs/dbraw/zinc/19/22/59/230192259.db2.gz RGVFKASGOMQTBP-ZDUSSCGKSA-N 1 2 296.327 -1.222 20 0 CAADLO Cn1c(N)c(C(=O)C[N@@H+]2CC[C@](C)(O)C2)c(=O)n(C)c1=O ZINC000178012593 230192673 /nfs/dbraw/zinc/19/26/73/230192673.db2.gz YDGHDCYQCUNOJB-ZDUSSCGKSA-N 1 2 296.327 -1.694 20 0 CAADLO Cn1c(N)c(C(=O)C[N@H+]2CC[C@](C)(O)C2)c(=O)n(C)c1=O ZINC000178012593 230192679 /nfs/dbraw/zinc/19/26/79/230192679.db2.gz YDGHDCYQCUNOJB-ZDUSSCGKSA-N 1 2 296.327 -1.694 20 0 CAADLO O=C(CCc1nnc[nH]1)NC[C@H]1C[NH+]2CCN1CC2 ZINC000178727195 230193989 /nfs/dbraw/zinc/19/39/89/230193989.db2.gz JXHZDRMPPVQLHI-JTQLQIEISA-N 1 2 264.333 -1.147 20 0 CAADLO COCCS(=O)(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000179053235 230194599 /nfs/dbraw/zinc/19/45/99/230194599.db2.gz UNUXAXCMRGVKBH-JTQLQIEISA-N 1 2 263.363 -1.448 20 0 CAADLO C[C@H](C(=O)NC[C@H]1C[NH+]2CCN1CC2)n1cncn1 ZINC000178721551 230194869 /nfs/dbraw/zinc/19/48/69/230194869.db2.gz FUVVZOFBFJJBSM-MNOVXSKESA-N 1 2 264.333 -1.045 20 0 CAADLO C[C@H](CNC(=O)Cn1ncn(C)c1=O)[NH+]1CCOCC1 ZINC000179421898 230195253 /nfs/dbraw/zinc/19/52/53/230195253.db2.gz JCEJBTLDRHOYQO-SNVBAGLBSA-N 1 2 283.332 -1.581 20 0 CAADLO COCCN(C)S(=O)(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000179053464 230196177 /nfs/dbraw/zinc/19/61/77/230196177.db2.gz BFLRQSSBJIUWLN-NSHDSACASA-N 1 2 292.405 -1.601 20 0 CAADLO C[C@H]1C(=O)NCCN1CC(O)C[N@@H+]1CCNC(=O)[C@@H]1C ZINC000181797983 230197419 /nfs/dbraw/zinc/19/74/19/230197419.db2.gz GITXNJJOUCYYFR-UWVGGRQHSA-N 1 2 284.360 -2.012 20 0 CAADLO C[C@H]1C(=O)NCCN1CC(O)C[N@H+]1CCNC(=O)[C@@H]1C ZINC000181797983 230197423 /nfs/dbraw/zinc/19/74/23/230197423.db2.gz GITXNJJOUCYYFR-UWVGGRQHSA-N 1 2 284.360 -2.012 20 0 CAADLO Cn1cnn(CC(=O)NCC[N@@H+]2CCOC(C)(C)C2)c1=O ZINC000181301498 230198521 /nfs/dbraw/zinc/19/85/21/230198521.db2.gz NZRFDDHOYAWBPD-UHFFFAOYSA-N 1 2 297.359 -1.191 20 0 CAADLO Cn1cnn(CC(=O)NCC[N@H+]2CCOC(C)(C)C2)c1=O ZINC000181301498 230198526 /nfs/dbraw/zinc/19/85/26/230198526.db2.gz NZRFDDHOYAWBPD-UHFFFAOYSA-N 1 2 297.359 -1.191 20 0 CAADLO C[C@H](CNC(=O)Cn1cn[nH]c1=O)[NH+]1CCOCC1 ZINC000180524292 230199299 /nfs/dbraw/zinc/19/92/99/230199299.db2.gz VPMJXZXIWFSDJP-SECBINFHSA-N 1 2 269.305 -1.592 20 0 CAADLO C[C@H](NC(=O)Cn1ncn(C)c1=O)[C@H](C)[NH+]1CCOCC1 ZINC000181598443 230199766 /nfs/dbraw/zinc/19/97/66/230199766.db2.gz XHNVVPHLRSILBZ-QWRGUYRKSA-N 1 2 297.359 -1.193 20 0 CAADLO C[C@H](C[S@](C)=O)[N@H+](C)CC(=O)N1CCNC(=O)C1 ZINC000185105094 230200229 /nfs/dbraw/zinc/20/02/29/230200229.db2.gz RLQYUNPAXVAZIA-LZVRBXCZSA-N 1 2 275.374 -1.356 20 0 CAADLO C[C@H](C[S@](C)=O)[N@@H+](C)CC(=O)N1CCNC(=O)C1 ZINC000185105094 230200232 /nfs/dbraw/zinc/20/02/32/230200232.db2.gz RLQYUNPAXVAZIA-LZVRBXCZSA-N 1 2 275.374 -1.356 20 0 CAADLO Cn1cnn(CC(=O)NC[C@H]2C[NH+]3CCN2CC3)c1=O ZINC000182590387 230200550 /nfs/dbraw/zinc/20/05/50/230200550.db2.gz YVPZCSLIYRREKF-JTQLQIEISA-N 1 2 280.332 -2.302 20 0 CAADLO O=C(Cn1cn[nH]c1=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000188837074 230202762 /nfs/dbraw/zinc/20/27/62/230202762.db2.gz WEBOYMXHGWBFDV-VIFPVBQESA-N 1 2 266.305 -2.313 20 0 CAADLO C[C@H](CNC(=O)NCCC(N)=O)[NH+]1CCOCC1 ZINC000193208999 230208116 /nfs/dbraw/zinc/20/81/16/230208116.db2.gz YTMHBXASFPEPPD-SECBINFHSA-N 1 2 258.322 -1.118 20 0 CAADLO CO[C@H](C)CS(=O)(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000195429376 230210236 /nfs/dbraw/zinc/21/02/36/230210236.db2.gz LZMRUOIPLNHAKW-GHMZBOCLSA-N 1 2 277.390 -1.060 20 0 CAADLO C[C@@H]1C[N@H+](CCCS(N)(=O)=O)C[C@@H](CO)O1 ZINC000248824221 230216040 /nfs/dbraw/zinc/21/60/40/230216040.db2.gz JYOYFAZTPVNNKY-BDAKNGLRSA-N 1 2 252.336 -1.253 20 0 CAADLO C[C@@H]1C[N@@H+](CCCS(N)(=O)=O)C[C@@H](CO)O1 ZINC000248824221 230216044 /nfs/dbraw/zinc/21/60/44/230216044.db2.gz JYOYFAZTPVNNKY-BDAKNGLRSA-N 1 2 252.336 -1.253 20 0 CAADLO O=C(CN1CC[NH2+]CC1=O)N1CCN(C2CC2)C(=O)C1 ZINC000262062715 230224213 /nfs/dbraw/zinc/22/42/13/230224213.db2.gz VZTKHHYWCTWAHL-UHFFFAOYSA-N 1 2 280.328 -1.749 20 0 CAADLO O=C(NCCC[N@@H+]1CCNC(=O)C1)[C@H]1CCOC1 ZINC000338129087 230238062 /nfs/dbraw/zinc/23/80/62/230238062.db2.gz BRKPYGUHRNRZPR-JTQLQIEISA-N 1 2 255.318 -1.039 20 0 CAADLO O=C(NCCC[N@H+]1CCNC(=O)C1)[C@H]1CCOC1 ZINC000338129087 230238066 /nfs/dbraw/zinc/23/80/66/230238066.db2.gz BRKPYGUHRNRZPR-JTQLQIEISA-N 1 2 255.318 -1.039 20 0 CAADLO O=C(N[C@@H](CO)Cc1c[nH]c[nH+]1)c1cncc(=O)[nH]1 ZINC001196164547 782027808 /nfs/dbraw/zinc/02/78/08/782027808.db2.gz QFBNUJQAPBVNEF-MRVPVSSYSA-N 1 2 263.257 -1.174 20 0 CAADLO O=C(N[C@@H](CO)Cc1c[nH+]c[nH]1)c1cncc(=O)[nH]1 ZINC001196164547 782027815 /nfs/dbraw/zinc/02/78/15/782027815.db2.gz QFBNUJQAPBVNEF-MRVPVSSYSA-N 1 2 263.257 -1.174 20 0 CAADLO Cn1cnn(CC(=O)NC[C@@H]2CC[NH2+]CC2(F)F)c1=O ZINC000424195028 230281121 /nfs/dbraw/zinc/28/11/21/230281121.db2.gz SPQHZTHVGRKADH-QMMMGPOBSA-N 1 2 289.286 -1.057 20 0 CAADLO NC(=O)CCCC(=O)N[C@H](CO)C[NH+]1CCOCC1 ZINC000425283490 230287018 /nfs/dbraw/zinc/28/70/18/230287018.db2.gz CBJDEBKUZMEAAD-JTQLQIEISA-N 1 2 273.333 -1.549 20 0 CAADLO C[C@]1(C(=O)NCCC[N@@H+]2CCNC(=O)C2)CCCNC1=O ZINC000427704714 230291354 /nfs/dbraw/zinc/29/13/54/230291354.db2.gz FGQQCLLQCTXZNE-AWEZNQCLSA-N 1 2 296.371 -1.159 20 0 CAADLO C[C@]1(C(=O)NCCC[N@H+]2CCNC(=O)C2)CCCNC1=O ZINC000427704714 230291361 /nfs/dbraw/zinc/29/13/61/230291361.db2.gz FGQQCLLQCTXZNE-AWEZNQCLSA-N 1 2 296.371 -1.159 20 0 CAADLO O=C(CC(=O)NCC1CC1)NC[C@@H](O)C[NH+]1CCOCC1 ZINC000427526353 230291549 /nfs/dbraw/zinc/29/15/49/230291549.db2.gz CCKGJJWFWTUFFV-GFCCVEGCSA-N 1 2 299.371 -1.288 20 0 CAADLO NC(=O)c1cc(NC(=O)CN2CC[NH2+]CC2=O)c[nH]1 ZINC000429697366 230299612 /nfs/dbraw/zinc/29/96/12/230299612.db2.gz UAQHZNGWUVCUNI-UHFFFAOYSA-N 1 2 265.273 -1.516 20 0 CAADLO O=C(CN1CC[NH2+]CC1=O)NC[C@H]1CCCOC1 ZINC000429967377 230301310 /nfs/dbraw/zinc/30/13/10/230301310.db2.gz RUGMWSMQGYQNCN-SNVBAGLBSA-N 1 2 255.318 -1.039 20 0 CAADLO O=C(CN1CC[NH2+]CC1=O)NC[C@@H]1CCCOC1 ZINC000429967375 230302330 /nfs/dbraw/zinc/30/23/30/230302330.db2.gz RUGMWSMQGYQNCN-JTQLQIEISA-N 1 2 255.318 -1.039 20 0 CAADLO COC[C@@H]1CN(C(=O)CN2CC[NH2+]CC2=O)CCO1 ZINC000430403859 230305612 /nfs/dbraw/zinc/30/56/12/230305612.db2.gz BFQFZJRWYPVFLB-JTQLQIEISA-N 1 2 271.317 -1.708 20 0 CAADLO CS(=O)(=O)NCCCNC(=O)CN1CC[NH2+]CC1=O ZINC000430210596 230306017 /nfs/dbraw/zinc/30/60/17/230306017.db2.gz DVHQRNANDUYGBU-UHFFFAOYSA-N 1 2 292.361 -2.526 20 0 CAADLO Cn1cc(N2CC[C@@H](NC(=O)[C@@H]3COCC[NH2+]3)C2=O)cn1 ZINC000430384339 230306060 /nfs/dbraw/zinc/30/60/60/230306060.db2.gz KNRZUUBOPWFDSL-MNOVXSKESA-N 1 2 293.327 -1.370 20 0 CAADLO C[C@H](CCS(C)(=O)=O)NC(=O)CN1CC[NH2+]CC1=O ZINC000430480963 230308759 /nfs/dbraw/zinc/30/87/59/230308759.db2.gz RXMIBFPOYUGVOD-SECBINFHSA-N 1 2 291.373 -1.642 20 0 CAADLO O=C(CN1CC[NH2+]CC1=O)NCCN1C(=O)CCCC1=O ZINC000430484231 230309381 /nfs/dbraw/zinc/30/93/81/230309381.db2.gz HCIVBWUJVRKCHD-UHFFFAOYSA-N 1 2 296.327 -1.927 20 0 CAADLO C[C@H]1COCCN1CCNC(=O)CN1CC[NH2+]CC1=O ZINC000430890424 230312680 /nfs/dbraw/zinc/31/26/80/230312680.db2.gz SVHBAJFIAXFNDT-NSHDSACASA-N 1 2 284.360 -1.745 20 0 CAADLO OC[C@@H]1CCCN1c1cc(N2C[C@@H](O)[C@H](O)C2)[nH+]cn1 ZINC000433817160 230316767 /nfs/dbraw/zinc/31/67/67/230316767.db2.gz CRYYMYRFTVMXKI-HBNTYKKESA-N 1 2 280.328 -1.021 20 0 CAADLO OC[C@@H]1CCCN1c1cc(N2C[C@@H](O)[C@H](O)C2)nc[nH+]1 ZINC000433817160 230316770 /nfs/dbraw/zinc/31/67/70/230316770.db2.gz CRYYMYRFTVMXKI-HBNTYKKESA-N 1 2 280.328 -1.021 20 0 CAADLO OC[C@@H]1CCCN1c1cc(N2C[C@H](O)[C@@H](O)C2)[nH+]cn1 ZINC000433817158 230317135 /nfs/dbraw/zinc/31/71/35/230317135.db2.gz CRYYMYRFTVMXKI-DCAQKATOSA-N 1 2 280.328 -1.021 20 0 CAADLO OC[C@@H]1CCCN1c1cc(N2C[C@H](O)[C@@H](O)C2)nc[nH+]1 ZINC000433817158 230317141 /nfs/dbraw/zinc/31/71/41/230317141.db2.gz CRYYMYRFTVMXKI-DCAQKATOSA-N 1 2 280.328 -1.021 20 0 CAADLO C[C@H](C(=O)NC[C@H]1C[NH+]2CCN1CC2)N1CCOCC1 ZINC000437744538 230323156 /nfs/dbraw/zinc/32/31/56/230323156.db2.gz KIBITZZBOXJWLO-OLZOCXBDSA-N 1 2 282.388 -1.177 20 0 CAADLO COCCN(C)S(=O)(=O)N1CC[NH+](CCO)CC1 ZINC000443095816 230331140 /nfs/dbraw/zinc/33/11/40/230331140.db2.gz HDNPKRPXXMHCRT-UHFFFAOYSA-N 1 2 281.378 -1.581 20 0 CAADLO COC(=O)[C@H]1C[N@H+](C)CCN1C(=O)c1cncc(=O)[nH]1 ZINC001196158326 782029014 /nfs/dbraw/zinc/02/90/14/782029014.db2.gz OBJUGWODWFBGQE-SECBINFHSA-N 1 2 280.284 -1.301 20 0 CAADLO COC(=O)[C@H]1C[N@@H+](C)CCN1C(=O)c1cncc(=O)[nH]1 ZINC001196158326 782029023 /nfs/dbraw/zinc/02/90/23/782029023.db2.gz OBJUGWODWFBGQE-SECBINFHSA-N 1 2 280.284 -1.301 20 0 CAADLO C[C@H](O)C[NH+]1CCN(C(=O)C(=O)NCC(F)F)CC1 ZINC000444352173 230338340 /nfs/dbraw/zinc/33/83/40/230338340.db2.gz MQQWDCFTSKHGPX-QMMMGPOBSA-N 1 2 279.287 -1.107 20 0 CAADLO CN(C)S(=O)(=O)NCCNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493324714 230363348 /nfs/dbraw/zinc/36/33/48/230363348.db2.gz RICFFQVFUMAZJU-ARJAWSKDSA-N 1 2 287.345 -1.065 20 0 CAADLO C[C@@H](O)C(=O)N1CC[NH+](C[C@@H]2CN(C)C(=O)O2)CC1 ZINC000495596490 230363842 /nfs/dbraw/zinc/36/38/42/230363842.db2.gz RQMADNDMNXCONG-ZJUUUORDSA-N 1 2 271.317 -1.038 20 0 CAADLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)[C@H]1COC(=O)N1 ZINC000495795166 230364035 /nfs/dbraw/zinc/36/40/35/230364035.db2.gz XBXJSKCCBLUDNM-NXEZZACHSA-N 1 2 270.333 -1.153 20 0 CAADLO CN(C)C(=O)O[C@H]1CC[N@H+](CC(=O)N2CCNC(=O)C2)C1 ZINC000496355871 230364664 /nfs/dbraw/zinc/36/46/64/230364664.db2.gz DGMMIQJSHOBAAD-JTQLQIEISA-N 1 2 298.343 -1.283 20 0 CAADLO CN(C)C(=O)O[C@H]1CC[N@@H+](CC(=O)N2CCNC(=O)C2)C1 ZINC000496355871 230364665 /nfs/dbraw/zinc/36/46/65/230364665.db2.gz DGMMIQJSHOBAAD-JTQLQIEISA-N 1 2 298.343 -1.283 20 0 CAADLO CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCc2cnn[nH]2)C1 ZINC001196320929 782031532 /nfs/dbraw/zinc/03/15/32/782031532.db2.gz PUDSCBXBBKPFME-VXGBXAGGSA-N 1 2 297.359 -1.065 20 0 CAADLO CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCc2cnn[nH]2)C1 ZINC001196320929 782031540 /nfs/dbraw/zinc/03/15/40/782031540.db2.gz PUDSCBXBBKPFME-VXGBXAGGSA-N 1 2 297.359 -1.065 20 0 CAADLO CN1CC[N@H+](CCCOC(=O)NC(N)=O)[C@H](CO)C1 ZINC001196263132 782031636 /nfs/dbraw/zinc/03/16/36/782031636.db2.gz NMHBZSSNHATGSA-VIFPVBQESA-N 1 2 274.321 -1.210 20 0 CAADLO CN1CC[N@@H+](CCCOC(=O)NC(N)=O)[C@H](CO)C1 ZINC001196263132 782031642 /nfs/dbraw/zinc/03/16/42/782031642.db2.gz NMHBZSSNHATGSA-VIFPVBQESA-N 1 2 274.321 -1.210 20 0 CAADLO COC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCc2cnn[nH]2)C1 ZINC001196320134 782032607 /nfs/dbraw/zinc/03/26/07/782032607.db2.gz HVJXRMVXQKGTLK-MVWJERBFSA-N 1 2 297.359 -1.067 20 0 CAADLO COC[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCc2cnn[nH]2)C1 ZINC001196320134 782032617 /nfs/dbraw/zinc/03/26/17/782032617.db2.gz HVJXRMVXQKGTLK-MVWJERBFSA-N 1 2 297.359 -1.067 20 0 CAADLO CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCc2cnn[nH]2)C1 ZINC001196321023 782033082 /nfs/dbraw/zinc/03/30/82/782033082.db2.gz ULDFRFCUDKMILH-NXEZZACHSA-N 1 2 253.306 -1.082 20 0 CAADLO CC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCc2cnn[nH]2)C1 ZINC001196321023 782033087 /nfs/dbraw/zinc/03/30/87/782033087.db2.gz ULDFRFCUDKMILH-NXEZZACHSA-N 1 2 253.306 -1.082 20 0 CAADLO NC(=O)C[N@@H+]1CCCN(C(=O)CCCCNC(N)=O)CC1 ZINC001196446590 782034288 /nfs/dbraw/zinc/03/42/88/782034288.db2.gz YLTJHIPAEDCWNR-UHFFFAOYSA-N 1 2 299.375 -1.155 20 0 CAADLO NC(=O)C[N@H+]1CCCN(C(=O)CCCCNC(N)=O)CC1 ZINC001196446590 782034294 /nfs/dbraw/zinc/03/42/94/782034294.db2.gz YLTJHIPAEDCWNR-UHFFFAOYSA-N 1 2 299.375 -1.155 20 0 CAADLO O=C(C[NH+]1C[C@@H](CO)[C@H](CO)C1)Nc1cnccn1 ZINC001196459075 782036122 /nfs/dbraw/zinc/03/61/22/782036122.db2.gz QRYTXYCTYPAVSW-UWVGGRQHSA-N 1 2 266.301 -1.052 20 0 CAADLO C[C@@H]1C[N@H+](CCNC(=O)Cn2cnnn2)CCO1 ZINC000523054339 260131895 /nfs/dbraw/zinc/13/18/95/260131895.db2.gz QBYDHBUEUOPKTI-SECBINFHSA-N 1 2 254.294 -1.490 20 0 CAADLO C[C@@H]1C[N@@H+](CCNC(=O)Cn2cnnn2)CCO1 ZINC000523054339 260131896 /nfs/dbraw/zinc/13/18/96/260131896.db2.gz QBYDHBUEUOPKTI-SECBINFHSA-N 1 2 254.294 -1.490 20 0 CAADLO C[C@@H](Cn1cccn1)NC(=O)CN1CC[NH2+]CC1=O ZINC000518368746 260385880 /nfs/dbraw/zinc/38/58/80/260385880.db2.gz JEFGDKDMLVORSE-JTQLQIEISA-N 1 2 265.317 -1.180 20 0 CAADLO C[C@H]1C[N@H+](CCO)CCN1S(=O)(=O)N(C)C ZINC000518797147 262355137 /nfs/dbraw/zinc/35/51/37/262355137.db2.gz KYKPOJNYYOBJFP-VIFPVBQESA-N 1 2 251.352 -1.209 20 0 CAADLO C[C@H]1C[N@@H+](CCO)CCN1S(=O)(=O)N(C)C ZINC000518797147 262355139 /nfs/dbraw/zinc/35/51/39/262355139.db2.gz KYKPOJNYYOBJFP-VIFPVBQESA-N 1 2 251.352 -1.209 20 0 CAADLO CCNS(=O)(=O)NC1CC[NH+](CC(=O)NC)CC1 ZINC000171952326 335086212 /nfs/dbraw/zinc/08/62/12/335086212.db2.gz KVUBRECUZUUTMD-UHFFFAOYSA-N 1 2 278.378 -1.359 20 0 CAADLO O=C(CN1CC[NH2+]CC1=O)NCCn1cccn1 ZINC000518972275 265263603 /nfs/dbraw/zinc/26/36/03/265263603.db2.gz XUAKLRWSMCLECL-UHFFFAOYSA-N 1 2 251.290 -1.569 20 0 CAADLO C[C@H]1CN(C)C(=O)CN1C[C@@H](O)C[NH+]1CCOCC1 ZINC001251020434 782038787 /nfs/dbraw/zinc/03/87/87/782038787.db2.gz FJHXFOPIVWGICG-RYUDHWBXSA-N 1 2 271.361 -1.158 20 0 CAADLO C[C@H](CC(N)=O)C(=O)N1CCC[N@@H+]([C@@H](C)C(N)=O)CC1 ZINC001196752635 782039092 /nfs/dbraw/zinc/03/90/92/782039092.db2.gz GQSUYEHANBVVNU-ZJUUUORDSA-N 1 2 284.360 -1.094 20 0 CAADLO C[C@H](CC(N)=O)C(=O)N1CCC[N@H+]([C@@H](C)C(N)=O)CC1 ZINC001196752635 782039101 /nfs/dbraw/zinc/03/91/01/782039101.db2.gz GQSUYEHANBVVNU-ZJUUUORDSA-N 1 2 284.360 -1.094 20 0 CAADLO C[C@H](CC(N)=O)C(=O)N1CCC[N@@H+]([C@H](C)C(N)=O)CC1 ZINC001196752395 782039399 /nfs/dbraw/zinc/03/93/99/782039399.db2.gz GQSUYEHANBVVNU-NXEZZACHSA-N 1 2 284.360 -1.094 20 0 CAADLO C[C@H](CC(N)=O)C(=O)N1CCC[N@H+]([C@H](C)C(N)=O)CC1 ZINC001196752395 782039408 /nfs/dbraw/zinc/03/94/08/782039408.db2.gz GQSUYEHANBVVNU-NXEZZACHSA-N 1 2 284.360 -1.094 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC(=O)N(C)C)C1 ZINC001196739036 782040996 /nfs/dbraw/zinc/04/09/96/782040996.db2.gz IGEOWFVFWQXEBG-IWSPIJDZSA-N 1 2 286.332 -2.500 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)CC(=O)N(C)C)C1 ZINC001196739036 782041005 /nfs/dbraw/zinc/04/10/05/782041005.db2.gz IGEOWFVFWQXEBG-IWSPIJDZSA-N 1 2 286.332 -2.500 20 0 CAADLO C[C@H]1C[N@H+](CC(=O)N2CCOCC2)C[C@@H](CO)O1 ZINC000230010109 269086032 /nfs/dbraw/zinc/08/60/32/269086032.db2.gz KSCJQKZUNJVQFO-QWRGUYRKSA-N 1 2 258.318 -1.073 20 0 CAADLO C[C@H]1C[N@@H+](CC(=O)N2CCOCC2)C[C@@H](CO)O1 ZINC000230010109 269086035 /nfs/dbraw/zinc/08/60/35/269086035.db2.gz KSCJQKZUNJVQFO-QWRGUYRKSA-N 1 2 258.318 -1.073 20 0 CAADLO C[C@H](c1nnnn1C)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000189528018 269086046 /nfs/dbraw/zinc/08/60/46/269086046.db2.gz IRAYRCOUYDXAPM-MNOVXSKESA-N 1 2 284.364 -1.104 20 0 CAADLO C[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@@H](CO)O1 ZINC000230011499 269085775 /nfs/dbraw/zinc/08/57/75/269085775.db2.gz QQYCQEBJWSHMJH-BDAKNGLRSA-N 1 2 257.290 -1.380 20 0 CAADLO C[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@@H](CO)O1 ZINC000230011499 269085776 /nfs/dbraw/zinc/08/57/76/269085776.db2.gz QQYCQEBJWSHMJH-BDAKNGLRSA-N 1 2 257.290 -1.380 20 0 CAADLO C[C@@H]1C[N@H+](CC(=O)N2CCOCC2)C[C@@H](CO)O1 ZINC000230010105 269085789 /nfs/dbraw/zinc/08/57/89/269085789.db2.gz KSCJQKZUNJVQFO-MNOVXSKESA-N 1 2 258.318 -1.073 20 0 CAADLO C[C@@H]1C[N@@H+](CC(=O)N2CCOCC2)C[C@@H](CO)O1 ZINC000230010105 269085791 /nfs/dbraw/zinc/08/57/91/269085791.db2.gz KSCJQKZUNJVQFO-MNOVXSKESA-N 1 2 258.318 -1.073 20 0 CAADLO CC(C)[N@H+](CC(N)=O)CC(=O)NCC(=O)N1CCCC1 ZINC000042507462 269086612 /nfs/dbraw/zinc/08/66/12/269086612.db2.gz WARVDWGSXMBLSX-UHFFFAOYSA-N 1 2 284.360 -1.079 20 0 CAADLO CC(C)[N@@H+](CC(N)=O)CC(=O)NCC(=O)N1CCCC1 ZINC000042507462 269086615 /nfs/dbraw/zinc/08/66/15/269086615.db2.gz WARVDWGSXMBLSX-UHFFFAOYSA-N 1 2 284.360 -1.079 20 0 CAADLO CC[C@@H](C)NC(=O)[C@@H](C)NC(=O)CN1CC[NH2+]CC1=O ZINC000236877331 269086736 /nfs/dbraw/zinc/08/67/36/269086736.db2.gz VUXSRHZXNWYDBF-NXEZZACHSA-N 1 2 284.360 -1.162 20 0 CAADLO NC(=O)C1(NC(=O)CN2CC[NH2+]CC2=O)CCCCC1 ZINC000237857551 269086823 /nfs/dbraw/zinc/08/68/23/269086823.db2.gz SZIGPZBBUDBXJI-UHFFFAOYSA-N 1 2 282.344 -1.277 20 0 CAADLO CNC(=O)[C@H]1CCCN1C(=O)CN1CC[NH2+]CC1=O ZINC000237154803 269086897 /nfs/dbraw/zinc/08/68/97/269086897.db2.gz HTQRCRTWVWSFMB-SECBINFHSA-N 1 2 268.317 -1.845 20 0 CAADLO O=C(CN1CC[NH2+]CC1=O)NCCNC(=O)C1CC1 ZINC000238106858 269086991 /nfs/dbraw/zinc/08/69/91/269086991.db2.gz LNYMNELODSLCDX-UHFFFAOYSA-N 1 2 268.317 -1.939 20 0 CAADLO C[C@@H](NC(=O)CN1CC[NH2+]CC1=O)C(=O)NC(C)(C)C ZINC000237595852 269087043 /nfs/dbraw/zinc/08/70/43/269087043.db2.gz WLZANRQIMXLAID-SECBINFHSA-N 1 2 284.360 -1.162 20 0 CAADLO O=C(CNC(=O)CN1CC[NH2+]CC1=O)NC1CCCCC1 ZINC000238141566 269087080 /nfs/dbraw/zinc/08/70/80/269087080.db2.gz JPVUJGAFFMLTIK-UHFFFAOYSA-N 1 2 296.371 -1.017 20 0 CAADLO CN(C[C@H]1CCOC1)C(=O)CN1CC[NH2+]CC1=O ZINC000237240124 269087108 /nfs/dbraw/zinc/08/71/08/269087108.db2.gz PJNGTZROWWYWSC-SNVBAGLBSA-N 1 2 255.318 -1.087 20 0 CAADLO COCCn1ccc(NC(=O)CN2CC[NH2+]CC2=O)n1 ZINC000237136563 269087204 /nfs/dbraw/zinc/08/72/04/269087204.db2.gz YQXKEKDWESYUQC-UHFFFAOYSA-N 1 2 281.316 -1.100 20 0 CAADLO O=C(CN1CC[NH2+]CC1=O)N1CCN(CC(F)F)CC1 ZINC000237774318 269087238 /nfs/dbraw/zinc/08/72/38/269087238.db2.gz UJICEHLGHZZZLB-UHFFFAOYSA-N 1 2 290.314 -1.173 20 0 CAADLO O=C(CN1CC[NH2+]CC1=O)NCCCN1CCCC1=O ZINC000238105771 269087273 /nfs/dbraw/zinc/08/72/73/269087273.db2.gz ZJOOLDKJFURFNR-UHFFFAOYSA-N 1 2 282.344 -1.453 20 0 CAADLO NC(=O)C[C@@H]1CCCCN1C(=O)CN1CC[NH2+]CC1=O ZINC000237891158 269087411 /nfs/dbraw/zinc/08/74/11/269087411.db2.gz BRUDUVMINJFFEB-JTQLQIEISA-N 1 2 282.344 -1.325 20 0 CAADLO C[C@H](NC(=O)CN1CC[NH2+]CC1=O)C(=O)NC(C)(C)C ZINC000237627021 269087527 /nfs/dbraw/zinc/08/75/27/269087527.db2.gz WLZANRQIMXLAID-VIFPVBQESA-N 1 2 284.360 -1.162 20 0 CAADLO O=C(CN1CC[NH2+]CC1=O)NCCCNC(=O)C1CCC1 ZINC000238105956 269087551 /nfs/dbraw/zinc/08/75/51/269087551.db2.gz BJWMIANOLARAIW-UHFFFAOYSA-N 1 2 296.371 -1.159 20 0 CAADLO O=C(CN1CC[NH2+]CC1=O)N1CCC[C@@H]1C(=O)NC1CC1 ZINC000238079651 269087556 /nfs/dbraw/zinc/08/75/56/269087556.db2.gz LCNUSZCBZAIOPU-LLVKDONJSA-N 1 2 294.355 -1.312 20 0 CAADLO CCCCN(CC(N)=O)C(=O)CN1CC[NH2+]CC1=O ZINC000236725007 269087565 /nfs/dbraw/zinc/08/75/65/269087565.db2.gz HNXDZRPNPJFGJN-UHFFFAOYSA-N 1 2 270.333 -1.468 20 0 CAADLO CCCN(CC(=O)N(C)C)C(=O)CN1CC[NH2+]CC1=O ZINC000236884002 269087615 /nfs/dbraw/zinc/08/76/15/269087615.db2.gz YZLFQOPPVDALEP-UHFFFAOYSA-N 1 2 284.360 -1.255 20 0 CAADLO CN(C[C@H](O)C[NH+]1CCOCC1)c1cc(=O)n(C)cn1 ZINC000517041766 269088683 /nfs/dbraw/zinc/08/86/83/269088683.db2.gz YZRSXKRWXUVFCM-NSHDSACASA-N 1 2 282.344 -1.090 20 0 CAADLO CN1CCC[C@@H](C(=O)N[C@@H](CO)C[NH+]2CCOCC2)C1=O ZINC000519596975 269089101 /nfs/dbraw/zinc/08/91/01/269089101.db2.gz YDGIKVSIRICPIO-NEPJUHHUSA-N 1 2 299.371 -1.336 20 0 CAADLO CNS(=O)(=O)NCC(=O)N1CC(n2cc[nH+]c2)C1 ZINC000521637664 269089590 /nfs/dbraw/zinc/08/95/90/269089590.db2.gz ZPSGOIPUTRUIPT-UHFFFAOYSA-N 1 2 273.318 -1.680 20 0 CAADLO C[C@@H]1C[N@H+](CCNC(=O)CCNS(C)(=O)=O)CCO1 ZINC000523440981 269089976 /nfs/dbraw/zinc/08/99/76/269089976.db2.gz QATOBEMULMWPNC-SNVBAGLBSA-N 1 2 293.389 -1.237 20 0 CAADLO C[C@@H]1C[N@@H+](CCNC(=O)CCNS(C)(=O)=O)CCO1 ZINC000523440981 269089977 /nfs/dbraw/zinc/08/99/77/269089977.db2.gz QATOBEMULMWPNC-SNVBAGLBSA-N 1 2 293.389 -1.237 20 0 CAADLO O=C([C@@H]1COCCO1)N1CC[NH+](CCn2cncn2)CC1 ZINC000524824472 269090080 /nfs/dbraw/zinc/09/00/80/269090080.db2.gz OMFGULGPNDIEFL-LBPRGKRZSA-N 1 2 295.343 -1.162 20 0 CAADLO O=C([C@H]1COCCO1)N1CC[NH+](CCn2cncn2)CC1 ZINC000524824469 269090084 /nfs/dbraw/zinc/09/00/84/269090084.db2.gz OMFGULGPNDIEFL-GFCCVEGCSA-N 1 2 295.343 -1.162 20 0 CAADLO CN1C(=O)C[C@@H]([N@@H+]2CC[C@@H](NS(C)(=O)=O)C2)C1=O ZINC000522628604 269090257 /nfs/dbraw/zinc/09/02/57/269090257.db2.gz ULWXXOHLZBSZET-HTQZYQBOSA-N 1 2 275.330 -1.633 20 0 CAADLO CN1C(=O)C[C@@H]([N@H+]2CC[C@@H](NS(C)(=O)=O)C2)C1=O ZINC000522628604 269090259 /nfs/dbraw/zinc/09/02/59/269090259.db2.gz ULWXXOHLZBSZET-HTQZYQBOSA-N 1 2 275.330 -1.633 20 0 CAADLO C[C@H](NS(C)(=O)=O)C(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000522313839 269090439 /nfs/dbraw/zinc/09/04/39/269090439.db2.gz KKUOYDQYWYAREY-UWVGGRQHSA-N 1 2 293.389 -1.239 20 0 CAADLO C[C@H](NS(C)(=O)=O)C(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000522313839 269090441 /nfs/dbraw/zinc/09/04/41/269090441.db2.gz KKUOYDQYWYAREY-UWVGGRQHSA-N 1 2 293.389 -1.239 20 0 CAADLO C[C@H]1C[N@@H+](CCNC(=O)c2cn(C)c(=O)[nH]c2=O)CCO1 ZINC000523777150 269090474 /nfs/dbraw/zinc/09/04/74/269090474.db2.gz VWAVYWIGEYHXEP-VIFPVBQESA-N 1 2 296.327 -1.064 20 0 CAADLO CN(CC[NH+]1CCOCC1)C(=O)CCNS(C)(=O)=O ZINC000524284644 269090520 /nfs/dbraw/zinc/09/05/20/269090520.db2.gz JLURPXILHGUAGQ-UHFFFAOYSA-N 1 2 293.389 -1.284 20 0 CAADLO C[C@@H]1C[N@H+](CCNC(=O)CN(C)S(C)(=O)=O)CCO1 ZINC000523437888 269090573 /nfs/dbraw/zinc/09/05/73/269090573.db2.gz OZSBBDDRWGIPIS-SNVBAGLBSA-N 1 2 293.389 -1.285 20 0 CAADLO C[C@@H]1C[N@@H+](CCNC(=O)CN(C)S(C)(=O)=O)CCO1 ZINC000523437888 269090575 /nfs/dbraw/zinc/09/05/75/269090575.db2.gz OZSBBDDRWGIPIS-SNVBAGLBSA-N 1 2 293.389 -1.285 20 0 CAADLO Cn1cc(C[C@H](O)C(=O)NC[C@@H]2C[NH+]3CCN2CC3)cn1 ZINC000527313254 269090786 /nfs/dbraw/zinc/09/07/86/269090786.db2.gz IUVINROHDAVOEK-OLZOCXBDSA-N 1 2 293.371 -1.561 20 0 CAADLO O=C(CO)N1CC[NH+](C[C@H](O)CC2(O)CCC2)CC1 ZINC000528426390 269091882 /nfs/dbraw/zinc/09/18/82/269091882.db2.gz KHHRZJRTTBVYPY-LLVKDONJSA-N 1 2 272.345 -1.211 20 0 CAADLO CNC(=O)NC[C@H]1C[N@@H+]([C@H]2CCCNC2=O)CCO1 ZINC000528622288 269092322 /nfs/dbraw/zinc/09/23/22/269092322.db2.gz HZPUCYFADXOHHE-UWVGGRQHSA-N 1 2 270.333 -1.105 20 0 CAADLO CNC(=O)NC[C@H]1C[N@H+]([C@H]2CCCNC2=O)CCO1 ZINC000528622288 269092323 /nfs/dbraw/zinc/09/23/23/269092323.db2.gz HZPUCYFADXOHHE-UWVGGRQHSA-N 1 2 270.333 -1.105 20 0 CAADLO CNC(=O)NC[C@H]1C[N@H+](C[C@@](C)(O)C(C)=O)CCO1 ZINC000528625409 269092384 /nfs/dbraw/zinc/09/23/84/269092384.db2.gz YMANSGRZTFEZPN-CMPLNLGQSA-N 1 2 273.333 -1.044 20 0 CAADLO CNC(=O)NC[C@H]1C[N@@H+](C[C@@](C)(O)C(C)=O)CCO1 ZINC000528625409 269092385 /nfs/dbraw/zinc/09/23/85/269092385.db2.gz YMANSGRZTFEZPN-CMPLNLGQSA-N 1 2 273.333 -1.044 20 0 CAADLO CNC(=O)NC[C@@H]1C[N@@H+]([C@@H]2CCCNC2=O)CCO1 ZINC000528622283 269092472 /nfs/dbraw/zinc/09/24/72/269092472.db2.gz HZPUCYFADXOHHE-NXEZZACHSA-N 1 2 270.333 -1.105 20 0 CAADLO CNC(=O)NC[C@@H]1C[N@H+]([C@@H]2CCCNC2=O)CCO1 ZINC000528622283 269092474 /nfs/dbraw/zinc/09/24/74/269092474.db2.gz HZPUCYFADXOHHE-NXEZZACHSA-N 1 2 270.333 -1.105 20 0 CAADLO CNC(=O)NC[C@H]1C[N@H+](C[C@@H](O)COC)CCO1 ZINC000528629947 269092662 /nfs/dbraw/zinc/09/26/62/269092662.db2.gz PLAORYRRTAHOGI-ZJUUUORDSA-N 1 2 261.322 -1.377 20 0 CAADLO CNC(=O)NC[C@H]1C[N@@H+](C[C@@H](O)COC)CCO1 ZINC000528629947 269092664 /nfs/dbraw/zinc/09/26/64/269092664.db2.gz PLAORYRRTAHOGI-ZJUUUORDSA-N 1 2 261.322 -1.377 20 0 CAADLO CNC(=O)NC[C@H]1C[N@@H+]([C@@H]2CCCNC2=O)CCO1 ZINC000528622291 269092780 /nfs/dbraw/zinc/09/27/80/269092780.db2.gz HZPUCYFADXOHHE-VHSXEESVSA-N 1 2 270.333 -1.105 20 0 CAADLO CNC(=O)NC[C@H]1C[N@H+]([C@@H]2CCCNC2=O)CCO1 ZINC000528622291 269092782 /nfs/dbraw/zinc/09/27/82/269092782.db2.gz HZPUCYFADXOHHE-VHSXEESVSA-N 1 2 270.333 -1.105 20 0 CAADLO CNC(=O)NC[C@H]1C[N@H+](CCc2cn[nH]n2)CCO1 ZINC000528624323 269092801 /nfs/dbraw/zinc/09/28/01/269092801.db2.gz VEGWBSVBZJSFSE-JTQLQIEISA-N 1 2 268.321 -1.023 20 0 CAADLO CNC(=O)NC[C@H]1C[N@@H+](CCc2cn[nH]n2)CCO1 ZINC000528624323 269092803 /nfs/dbraw/zinc/09/28/03/269092803.db2.gz VEGWBSVBZJSFSE-JTQLQIEISA-N 1 2 268.321 -1.023 20 0 CAADLO CC(C)N1CC[C@H]([N@@H+]2C[C@H](O)C[C@H]2C(N)=O)C1=O ZINC000528633952 269092823 /nfs/dbraw/zinc/09/28/23/269092823.db2.gz JLTDAHFHHOLFMV-UTLUCORTSA-N 1 2 255.318 -1.084 20 0 CAADLO CC(C)N1CC[C@H]([N@H+]2C[C@H](O)C[C@H]2C(N)=O)C1=O ZINC000528633952 269092825 /nfs/dbraw/zinc/09/28/25/269092825.db2.gz JLTDAHFHHOLFMV-UTLUCORTSA-N 1 2 255.318 -1.084 20 0 CAADLO CNC(=O)NC[C@@H]1C[N@H+](C[C@](C)(O)C(C)=O)CCO1 ZINC000528625436 269092842 /nfs/dbraw/zinc/09/28/42/269092842.db2.gz YMANSGRZTFEZPN-PWSUYJOCSA-N 1 2 273.333 -1.044 20 0 CAADLO CNC(=O)NC[C@@H]1C[N@@H+](C[C@](C)(O)C(C)=O)CCO1 ZINC000528625436 269092843 /nfs/dbraw/zinc/09/28/43/269092843.db2.gz YMANSGRZTFEZPN-PWSUYJOCSA-N 1 2 273.333 -1.044 20 0 CAADLO C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)[C@@H]1CC(=O)N1 ZINC000529749307 269094374 /nfs/dbraw/zinc/09/43/74/269094374.db2.gz BSDKHVZVFXZEOT-HZMBPMFUSA-N 1 2 297.355 -1.393 20 0 CAADLO C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)[C@@H]1CC(=O)N1 ZINC000529749307 269094375 /nfs/dbraw/zinc/09/43/75/269094375.db2.gz BSDKHVZVFXZEOT-HZMBPMFUSA-N 1 2 297.355 -1.393 20 0 CAADLO CC(=O)N1CC[NH+](CCNC(=O)C2(C(N)=O)CCC2)CC1 ZINC000530632985 269094666 /nfs/dbraw/zinc/09/46/66/269094666.db2.gz MJFZLYMYMHGHOY-UHFFFAOYSA-N 1 2 296.371 -1.078 20 0 CAADLO CC(C)(C(N)=O)[NH+]1CCN(C(=O)CNC(=O)C2CC2)CC1 ZINC000530638022 269094719 /nfs/dbraw/zinc/09/47/19/269094719.db2.gz MEWVAGPSDUWWDE-UHFFFAOYSA-N 1 2 296.371 -1.079 20 0 CAADLO O=C1C[C@@H]([N@@H+]2CCN3C(=O)NC[C@H]3C2)C(=O)N1C1CC1 ZINC000531444013 269095315 /nfs/dbraw/zinc/09/53/15/269095315.db2.gz ZDUXIUROGZCSEY-VHSXEESVSA-N 1 2 278.312 -1.014 20 0 CAADLO O=C1C[C@@H]([N@H+]2CCN3C(=O)NC[C@H]3C2)C(=O)N1C1CC1 ZINC000531444013 269095317 /nfs/dbraw/zinc/09/53/17/269095317.db2.gz ZDUXIUROGZCSEY-VHSXEESVSA-N 1 2 278.312 -1.014 20 0 CAADLO CN1C(=O)C[C@@H]([N@@H+]2CCN3C(=O)NC[C@H]3C2)C1=O ZINC000531443093 269095350 /nfs/dbraw/zinc/09/53/50/269095350.db2.gz BIJQEPGRHCBNQI-JGVFFNPUSA-N 1 2 252.274 -1.547 20 0 CAADLO CN1C(=O)C[C@@H]([N@H+]2CCN3C(=O)NC[C@H]3C2)C1=O ZINC000531443093 269095352 /nfs/dbraw/zinc/09/53/52/269095352.db2.gz BIJQEPGRHCBNQI-JGVFFNPUSA-N 1 2 252.274 -1.547 20 0 CAADLO CNS(=O)(=O)CC(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000530963684 269095387 /nfs/dbraw/zinc/09/53/87/269095387.db2.gz IRXVXHFAUDPMIG-SECBINFHSA-N 1 2 279.362 -1.628 20 0 CAADLO CNS(=O)(=O)CC(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000530963684 269095388 /nfs/dbraw/zinc/09/53/88/269095388.db2.gz IRXVXHFAUDPMIG-SECBINFHSA-N 1 2 279.362 -1.628 20 0 CAADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C1(C(N)=O)CCC1 ZINC000530958057 269095443 /nfs/dbraw/zinc/09/54/43/269095443.db2.gz FWLUGJPNDIGNEB-LLVKDONJSA-N 1 2 299.371 -1.207 20 0 CAADLO COC[C@](C)(O)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000531497821 269095647 /nfs/dbraw/zinc/09/56/47/269095647.db2.gz YJHQHXPMEWWSSH-AAEUAGOBSA-N 1 2 290.360 -1.465 20 0 CAADLO O=C1NC[C@@H]2C[N@H+](CCOC[C@H]3CCCO3)CCN2C1=O ZINC000532223769 269095849 /nfs/dbraw/zinc/09/58/49/269095849.db2.gz ZDWXTYUNAGUMAL-VXGBXAGGSA-N 1 2 297.355 -1.175 20 0 CAADLO O=C1NC[C@@H]2C[N@@H+](CCOC[C@H]3CCCO3)CCN2C1=O ZINC000532223769 269095850 /nfs/dbraw/zinc/09/58/50/269095850.db2.gz ZDWXTYUNAGUMAL-VXGBXAGGSA-N 1 2 297.355 -1.175 20 0 CAADLO COC[C@](C)(O)C(=O)N1CC[NH+](CCn2cncn2)CC1 ZINC000531497525 269095888 /nfs/dbraw/zinc/09/58/88/269095888.db2.gz DIAWWENALPOJGI-ZDUSSCGKSA-N 1 2 297.359 -1.180 20 0 CAADLO O=C1NC[C@H]2C[N@H+](CCOC[C@H]3CCCO3)CCN2C1=O ZINC000532223766 269095904 /nfs/dbraw/zinc/09/59/04/269095904.db2.gz ZDWXTYUNAGUMAL-NWDGAFQWSA-N 1 2 297.355 -1.175 20 0 CAADLO O=C1NC[C@H]2C[N@@H+](CCOC[C@H]3CCCO3)CCN2C1=O ZINC000532223766 269095905 /nfs/dbraw/zinc/09/59/05/269095905.db2.gz ZDWXTYUNAGUMAL-NWDGAFQWSA-N 1 2 297.355 -1.175 20 0 CAADLO O=C(c1ccc2nnnn2c1)N1CC[NH+](CCO)CC1 ZINC000531558787 269095954 /nfs/dbraw/zinc/09/59/54/269095954.db2.gz HYJUNWXJPQBBPH-UHFFFAOYSA-N 1 2 276.300 -1.126 20 0 CAADLO CNS(=O)(=O)[C@@H]1CC[N@@H+]([C@@H](C)C(=O)NC(N)=O)C1 ZINC000533086918 269096143 /nfs/dbraw/zinc/09/61/43/269096143.db2.gz FDOYHGHOQGUJFM-NKWVEPMBSA-N 1 2 278.334 -1.807 20 0 CAADLO CNS(=O)(=O)[C@@H]1CC[N@H+]([C@@H](C)C(=O)NC(N)=O)C1 ZINC000533086918 269096145 /nfs/dbraw/zinc/09/61/45/269096145.db2.gz FDOYHGHOQGUJFM-NKWVEPMBSA-N 1 2 278.334 -1.807 20 0 CAADLO CNS(=O)(=O)[C@H]1CC[N@@H+]([C@H](C)C(=O)NC(N)=O)C1 ZINC000533086920 269096210 /nfs/dbraw/zinc/09/62/10/269096210.db2.gz FDOYHGHOQGUJFM-RQJHMYQMSA-N 1 2 278.334 -1.807 20 0 CAADLO CNS(=O)(=O)[C@H]1CC[N@H+]([C@H](C)C(=O)NC(N)=O)C1 ZINC000533086920 269096211 /nfs/dbraw/zinc/09/62/11/269096211.db2.gz FDOYHGHOQGUJFM-RQJHMYQMSA-N 1 2 278.334 -1.807 20 0 CAADLO CNS(=O)(=O)[C@H]1CC[N@H+](CC(=O)NCC(=O)OC)C1 ZINC000533086689 269096249 /nfs/dbraw/zinc/09/62/49/269096249.db2.gz VCSXIRDEBJDUBH-QMMMGPOBSA-N 1 2 293.345 -2.101 20 0 CAADLO CNS(=O)(=O)[C@H]1CC[N@@H+](CC(=O)NCC(=O)OC)C1 ZINC000533086689 269096250 /nfs/dbraw/zinc/09/62/50/269096250.db2.gz VCSXIRDEBJDUBH-QMMMGPOBSA-N 1 2 293.345 -2.101 20 0 CAADLO CNC(=O)NC(=O)C[N@@H+]1CC[C@H](S(=O)(=O)NC)C1 ZINC000533086574 269096256 /nfs/dbraw/zinc/09/62/56/269096256.db2.gz CUYNMTDURSGIGZ-ZETCQYMHSA-N 1 2 278.334 -1.935 20 0 CAADLO CNC(=O)NC(=O)C[N@H+]1CC[C@H](S(=O)(=O)NC)C1 ZINC000533086574 269096258 /nfs/dbraw/zinc/09/62/58/269096258.db2.gz CUYNMTDURSGIGZ-ZETCQYMHSA-N 1 2 278.334 -1.935 20 0 CAADLO CNS(=O)(=O)[C@H]1CC[N@H+](CC(=O)N2CCOCC2)C1 ZINC000533086564 269096316 /nfs/dbraw/zinc/09/63/16/269096316.db2.gz BLRBMZSCAGPOET-JTQLQIEISA-N 1 2 291.373 -1.531 20 0 CAADLO CNS(=O)(=O)[C@H]1CC[N@@H+](CC(=O)N2CCOCC2)C1 ZINC000533086564 269096318 /nfs/dbraw/zinc/09/63/18/269096318.db2.gz BLRBMZSCAGPOET-JTQLQIEISA-N 1 2 291.373 -1.531 20 0 CAADLO CNS(=O)(=O)[C@H]1CCC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC000532708040 269096351 /nfs/dbraw/zinc/09/63/51/269096351.db2.gz NRTSOPRSNUSFPM-DTWKUNHWSA-N 1 2 261.347 -1.112 20 0 CAADLO CNS(=O)(=O)[C@H]1CCC[N@H+]([C@@H]2CCNC2=O)C1 ZINC000532708040 269096353 /nfs/dbraw/zinc/09/63/53/269096353.db2.gz NRTSOPRSNUSFPM-DTWKUNHWSA-N 1 2 261.347 -1.112 20 0 CAADLO C[C@@](O)(CNC(=O)c1nnc[nH]1)C[NH+]1CCOCC1 ZINC000532948672 269096370 /nfs/dbraw/zinc/09/63/70/269096370.db2.gz DVHGOXHPLCJRLQ-LLVKDONJSA-N 1 2 269.305 -1.382 20 0 CAADLO C[C@@](O)(CNC(=O)c1ncn[nH]1)C[NH+]1CCOCC1 ZINC000532948672 269096371 /nfs/dbraw/zinc/09/63/71/269096371.db2.gz DVHGOXHPLCJRLQ-LLVKDONJSA-N 1 2 269.305 -1.382 20 0 CAADLO CNS(=O)(=O)[C@@H]1CC[N@@H+]([C@@H]2CCCNC2=O)C1 ZINC000533087130 269096387 /nfs/dbraw/zinc/09/63/87/269096387.db2.gz XXMVNFJGYNLMBC-RKDXNWHRSA-N 1 2 261.347 -1.112 20 0 CAADLO CNS(=O)(=O)[C@@H]1CC[N@H+]([C@@H]2CCCNC2=O)C1 ZINC000533087130 269096389 /nfs/dbraw/zinc/09/63/89/269096389.db2.gz XXMVNFJGYNLMBC-RKDXNWHRSA-N 1 2 261.347 -1.112 20 0 CAADLO COCC[N@H+](CCO)CC(=O)NCC(=O)NC(C)(C)C ZINC000532955222 269096408 /nfs/dbraw/zinc/09/64/08/269096408.db2.gz JGUNRPXLAATVAM-UHFFFAOYSA-N 1 2 289.376 -1.042 20 0 CAADLO COCC[N@@H+](CCO)CC(=O)NCC(=O)NC(C)(C)C ZINC000532955222 269096410 /nfs/dbraw/zinc/09/64/10/269096410.db2.gz JGUNRPXLAATVAM-UHFFFAOYSA-N 1 2 289.376 -1.042 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCc2cn[nH]c2)C1 ZINC001196803846 782041704 /nfs/dbraw/zinc/04/17/04/782041704.db2.gz NUTFNNDBRGUQCN-JMJZKYOTSA-N 1 2 295.343 -1.623 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCc2cn[nH]c2)C1 ZINC001196803846 782041713 /nfs/dbraw/zinc/04/17/13/782041713.db2.gz NUTFNNDBRGUQCN-JMJZKYOTSA-N 1 2 295.343 -1.623 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCc2cn[nH]c2)C1 ZINC001196803841 782042526 /nfs/dbraw/zinc/04/25/26/782042526.db2.gz NUTFNNDBRGUQCN-FBIMIBRVSA-N 1 2 295.343 -1.623 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCc2cn[nH]c2)C1 ZINC001196803841 782042534 /nfs/dbraw/zinc/04/25/34/782042534.db2.gz NUTFNNDBRGUQCN-FBIMIBRVSA-N 1 2 295.343 -1.623 20 0 CAADLO CC(C)N(C)C(=O)C[N@@H+]1CCCN(C(=O)C(N)=O)CC1 ZINC001197000200 782044250 /nfs/dbraw/zinc/04/42/50/782044250.db2.gz LQLCLGFJUQRYEK-UHFFFAOYSA-N 1 2 284.360 -1.127 20 0 CAADLO CC(C)N(C)C(=O)C[N@H+]1CCCN(C(=O)C(N)=O)CC1 ZINC001197000200 782044263 /nfs/dbraw/zinc/04/42/63/782044263.db2.gz LQLCLGFJUQRYEK-UHFFFAOYSA-N 1 2 284.360 -1.127 20 0 CAADLO CCCNC(=O)[C@@H](C)[N@@H+]1CCCN(C(=O)C(N)=O)CC1 ZINC001196984859 782044320 /nfs/dbraw/zinc/04/43/20/782044320.db2.gz SZDHGYUXVRXVCZ-SNVBAGLBSA-N 1 2 284.360 -1.079 20 0 CAADLO CCCNC(=O)[C@@H](C)[N@H+]1CCCN(C(=O)C(N)=O)CC1 ZINC001196984859 782044324 /nfs/dbraw/zinc/04/43/24/782044324.db2.gz SZDHGYUXVRXVCZ-SNVBAGLBSA-N 1 2 284.360 -1.079 20 0 CAADLO CCN(C)C(=O)C[N@@H+]1CCCN(C(=O)C(N)=O)CC1 ZINC001196999943 782044657 /nfs/dbraw/zinc/04/46/57/782044657.db2.gz DWDUVCADQREHKO-UHFFFAOYSA-N 1 2 270.333 -1.516 20 0 CAADLO CCN(C)C(=O)C[N@H+]1CCCN(C(=O)C(N)=O)CC1 ZINC001196999943 782044668 /nfs/dbraw/zinc/04/46/68/782044668.db2.gz DWDUVCADQREHKO-UHFFFAOYSA-N 1 2 270.333 -1.516 20 0 CAADLO C[C@H](NC(N)=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(N)=O ZINC001110486913 782044935 /nfs/dbraw/zinc/04/49/35/782044935.db2.gz YHIQOGLJXQGVOG-KDXUFGMBSA-N 1 2 283.332 -1.750 20 0 CAADLO C[C@H](NC(N)=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(N)=O ZINC001110486913 782044944 /nfs/dbraw/zinc/04/49/44/782044944.db2.gz YHIQOGLJXQGVOG-KDXUFGMBSA-N 1 2 283.332 -1.750 20 0 CAADLO COC[C@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2nnc[nH]2)C1 ZINC001197041863 782046388 /nfs/dbraw/zinc/04/63/88/782046388.db2.gz QEBVLQAKOGYTNM-IWSPIJDZSA-N 1 2 285.304 -2.413 20 0 CAADLO COC[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2nnc[nH]2)C1 ZINC001197041863 782046397 /nfs/dbraw/zinc/04/63/97/782046397.db2.gz QEBVLQAKOGYTNM-IWSPIJDZSA-N 1 2 285.304 -2.413 20 0 CAADLO COC[C@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ncn[nH]2)C1 ZINC001197041863 782046408 /nfs/dbraw/zinc/04/64/08/782046408.db2.gz QEBVLQAKOGYTNM-IWSPIJDZSA-N 1 2 285.304 -2.413 20 0 CAADLO COC[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ncn[nH]2)C1 ZINC001197041863 782046418 /nfs/dbraw/zinc/04/64/18/782046418.db2.gz QEBVLQAKOGYTNM-IWSPIJDZSA-N 1 2 285.304 -2.413 20 0 CAADLO CON(C)C(=O)C[NH2+]C1(C(N)=O)CCS(=O)(=O)CC1 ZINC001197123965 782048144 /nfs/dbraw/zinc/04/81/44/782048144.db2.gz ACDACWSETSWWIN-UHFFFAOYSA-N 1 2 293.345 -1.972 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCn2cccc2)C1 ZINC001197189111 782048711 /nfs/dbraw/zinc/04/87/11/782048711.db2.gz LPSOIQFJEWSQRE-QJPTWQEYSA-N 1 2 294.355 -1.087 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCn2cccc2)C1 ZINC001197189111 782048704 /nfs/dbraw/zinc/04/87/04/782048704.db2.gz LPSOIQFJEWSQRE-QJPTWQEYSA-N 1 2 294.355 -1.087 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCn2cccc2)C1 ZINC001197189110 782048810 /nfs/dbraw/zinc/04/88/10/782048810.db2.gz LPSOIQFJEWSQRE-IJLUTSLNSA-N 1 2 294.355 -1.087 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCn2cccc2)C1 ZINC001197189110 782048820 /nfs/dbraw/zinc/04/88/20/782048820.db2.gz LPSOIQFJEWSQRE-IJLUTSLNSA-N 1 2 294.355 -1.087 20 0 CAADLO CC(=O)[C@](C)(O)C[NH+]1CCN(S(N)(=O)=O)CC1 ZINC000408196462 277100665 /nfs/dbraw/zinc/10/06/65/277100665.db2.gz CKZRPEFHFQHVPZ-SECBINFHSA-N 1 2 265.335 -1.853 20 0 CAADLO CNc1nc(N2CC[C@H](O)C2)[nH+]c(N2CC[C@H](O)C2)n1 ZINC000343816791 277221048 /nfs/dbraw/zinc/22/10/48/277221048.db2.gz BFYWOAVRSVCYQS-IUCAKERBSA-N 1 2 280.332 -1.523 20 0 CAADLO CC(=O)N1CC(C(=O)NC[C@H](O)C[NH+]2CCOCC2)C1 ZINC000331440922 277980760 /nfs/dbraw/zinc/98/07/60/277980760.db2.gz OWJGPLGEGCSXJO-LBPRGKRZSA-N 1 2 285.344 -1.726 20 0 CAADLO CC[C@H](NC(C)=O)C(=O)N1CCC[N@H+](CC(N)=O)CC1 ZINC001197226349 782051081 /nfs/dbraw/zinc/05/10/81/782051081.db2.gz CKXLJCYPUHCOGU-NSHDSACASA-N 1 2 284.360 -1.079 20 0 CAADLO CC[C@H](NC(C)=O)C(=O)N1CCC[N@@H+](CC(N)=O)CC1 ZINC001197226349 782051088 /nfs/dbraw/zinc/05/10/88/782051088.db2.gz CKXLJCYPUHCOGU-NSHDSACASA-N 1 2 284.360 -1.079 20 0 CAADLO CC(=O)N[C@H]1CCCN(C(=O)C[N@@H+](C)[C@@H]2CCNC2=O)C1 ZINC000340223068 278177208 /nfs/dbraw/zinc/17/72/08/278177208.db2.gz SHNZBXMRLLGBIE-NWDGAFQWSA-N 1 2 296.371 -1.066 20 0 CAADLO CC(=O)N[C@H]1CCCN(C(=O)C[N@H+](C)[C@@H]2CCNC2=O)C1 ZINC000340223068 278177212 /nfs/dbraw/zinc/17/72/12/278177212.db2.gz SHNZBXMRLLGBIE-NWDGAFQWSA-N 1 2 296.371 -1.066 20 0 CAADLO C[C@H]1CC(=O)NCC[N@@H+]1CC(=O)N1CCNC(=O)C1 ZINC000363488774 278322325 /nfs/dbraw/zinc/32/23/25/278322325.db2.gz IWAKAECBRCJJKG-VIFPVBQESA-N 1 2 268.317 -1.845 20 0 CAADLO C[C@H]1CC(=O)NCC[N@H+]1CC(=O)N1CCNC(=O)C1 ZINC000363488774 278322328 /nfs/dbraw/zinc/32/23/28/278322328.db2.gz IWAKAECBRCJJKG-VIFPVBQESA-N 1 2 268.317 -1.845 20 0 CAADLO CN(C)C(=O)CC(=O)N1CCC[N@H+](CC(N)=O)CC1 ZINC001197369653 782051701 /nfs/dbraw/zinc/05/17/01/782051701.db2.gz IISALKKFZZOAPD-UHFFFAOYSA-N 1 2 270.333 -1.516 20 0 CAADLO CN(C)C(=O)CC(=O)N1CCC[N@@H+](CC(N)=O)CC1 ZINC001197369653 782051710 /nfs/dbraw/zinc/05/17/10/782051710.db2.gz IISALKKFZZOAPD-UHFFFAOYSA-N 1 2 270.333 -1.516 20 0 CAADLO CC(C)NS(=O)(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000352014345 279610969 /nfs/dbraw/zinc/61/09/69/279610969.db2.gz PKHHDVLKSHXDBF-NSHDSACASA-N 1 2 295.405 -1.146 20 0 CAADLO C[C@@H]1CN(CC[N@@H+]2CCN3C(=O)C(=O)NC[C@@H]3C2)CCO1 ZINC000329967055 288171528 /nfs/dbraw/zinc/17/15/28/288171528.db2.gz VYRVVIXECWWYON-VXGBXAGGSA-N 1 2 296.371 -1.650 20 0 CAADLO C[C@@H]1CN(CC[N@H+]2CCN3C(=O)C(=O)NC[C@@H]3C2)CCO1 ZINC000329967055 288171530 /nfs/dbraw/zinc/17/15/30/288171530.db2.gz VYRVVIXECWWYON-VXGBXAGGSA-N 1 2 296.371 -1.650 20 0 CAADLO CC(C)[C@H]1C(=O)NCC[N@H+]1CC(=O)N1CCNC1=O ZINC000066498521 280362108 /nfs/dbraw/zinc/36/21/08/280362108.db2.gz SNLLPULNJMCKIF-JTQLQIEISA-N 1 2 268.317 -1.005 20 0 CAADLO CC(C)[C@H]1C(=O)NCC[N@@H+]1CC(=O)N1CCNC1=O ZINC000066498521 280362109 /nfs/dbraw/zinc/36/21/09/280362109.db2.gz SNLLPULNJMCKIF-JTQLQIEISA-N 1 2 268.317 -1.005 20 0 CAADLO C[C@@](O)(C[N@@H+]1CCN2C(=O)C(=O)NC[C@H]2C1)C(F)(F)F ZINC000369070960 289118810 /nfs/dbraw/zinc/11/88/10/289118810.db2.gz KYLVTMIDDVDLHI-OIBJUYFYSA-N 1 2 295.261 -1.058 20 0 CAADLO C[C@@](O)(C[N@H+]1CCN2C(=O)C(=O)NC[C@H]2C1)C(F)(F)F ZINC000369070960 289118816 /nfs/dbraw/zinc/11/88/16/289118816.db2.gz KYLVTMIDDVDLHI-OIBJUYFYSA-N 1 2 295.261 -1.058 20 0 CAADLO CN(C)S(=O)(=O)CC[N@@H+]1CCC[C@H]1CS(N)(=O)=O ZINC000407949153 289242646 /nfs/dbraw/zinc/24/26/46/289242646.db2.gz VARVDBHOPBQULU-VIFPVBQESA-N 1 2 299.418 -1.369 20 0 CAADLO CN(C)S(=O)(=O)CC[N@H+]1CCC[C@H]1CS(N)(=O)=O ZINC000407949153 289242648 /nfs/dbraw/zinc/24/26/48/289242648.db2.gz VARVDBHOPBQULU-VIFPVBQESA-N 1 2 299.418 -1.369 20 0 CAADLO C[C@H](C(=O)N(C)C)[N@@H+]1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000408021367 289244219 /nfs/dbraw/zinc/24/42/19/289244219.db2.gz HXPNNURDNOCLHH-SFYZADRCSA-N 1 2 254.290 -1.301 20 0 CAADLO C[C@H](C(=O)N(C)C)[N@H+]1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000408021367 289244224 /nfs/dbraw/zinc/24/42/24/289244224.db2.gz HXPNNURDNOCLHH-SFYZADRCSA-N 1 2 254.290 -1.301 20 0 CAADLO CN(C)S(=O)(=O)CC[N@H+]1C[C@H]2[C@@H](CCS2(=O)=O)C1 ZINC000352993779 289244553 /nfs/dbraw/zinc/24/45/53/289244553.db2.gz ZAICAEJSHYHZCW-UWVGGRQHSA-N 1 2 296.414 -1.003 20 0 CAADLO CN(C)S(=O)(=O)CC[N@@H+]1C[C@H]2[C@@H](CCS2(=O)=O)C1 ZINC000352993779 289244556 /nfs/dbraw/zinc/24/45/56/289244556.db2.gz ZAICAEJSHYHZCW-UWVGGRQHSA-N 1 2 296.414 -1.003 20 0 CAADLO CNC(=O)C1(C(=O)N2CCC[N@H+](CC(N)=O)CC2)CC1 ZINC001197441115 782053984 /nfs/dbraw/zinc/05/39/84/782053984.db2.gz YVRBNAIIKYBUPT-UHFFFAOYSA-N 1 2 282.344 -1.468 20 0 CAADLO CNC(=O)C1(C(=O)N2CCC[N@@H+](CC(N)=O)CC2)CC1 ZINC001197441115 782053994 /nfs/dbraw/zinc/05/39/94/782053994.db2.gz YVRBNAIIKYBUPT-UHFFFAOYSA-N 1 2 282.344 -1.468 20 0 CAADLO CNC(=O)C1(C(=O)N2CCC[N@@H+]([C@H](C)C(N)=O)CC2)CC1 ZINC001197440870 782054117 /nfs/dbraw/zinc/05/41/17/782054117.db2.gz PWQJEMBQXGRIPW-SNVBAGLBSA-N 1 2 296.371 -1.079 20 0 CAADLO CNC(=O)C1(C(=O)N2CCC[N@H+]([C@H](C)C(N)=O)CC2)CC1 ZINC001197440870 782054126 /nfs/dbraw/zinc/05/41/26/782054126.db2.gz PWQJEMBQXGRIPW-SNVBAGLBSA-N 1 2 296.371 -1.079 20 0 CAADLO CN1CCOC[C@@H]1C(=O)N1C[C@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000345695350 290095140 /nfs/dbraw/zinc/09/51/40/290095140.db2.gz YYEQIDUOVBTKOF-IJLUTSLNSA-N 1 2 269.345 -1.142 20 0 CAADLO CN1CCOC[C@@H]1C(=O)N1C[C@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000345695350 290095139 /nfs/dbraw/zinc/09/51/39/290095139.db2.gz YYEQIDUOVBTKOF-IJLUTSLNSA-N 1 2 269.345 -1.142 20 0 CAADLO CN1CC[C@H]([N@@H+]2CCN3C(=O)C(=O)NC[C@@H]3C2)C1=O ZINC000177104000 290197970 /nfs/dbraw/zinc/19/79/70/290197970.db2.gz ISBGCZUIOHLPIL-BDAKNGLRSA-N 1 2 266.301 -2.140 20 0 CAADLO CN1CC[C@H]([N@H+]2CCN3C(=O)C(=O)NC[C@@H]3C2)C1=O ZINC000177104000 290197972 /nfs/dbraw/zinc/19/79/72/290197972.db2.gz ISBGCZUIOHLPIL-BDAKNGLRSA-N 1 2 266.301 -2.140 20 0 CAADLO Cc1n[nH]cc1C[N@@H+]1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC000091867004 293136437 /nfs/dbraw/zinc/13/64/37/293136437.db2.gz LRGDVDZCWQUFCN-SNVBAGLBSA-N 1 2 263.301 -1.139 20 0 CAADLO Cc1n[nH]cc1C[N@H+]1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC000091867004 293136444 /nfs/dbraw/zinc/13/64/44/293136444.db2.gz LRGDVDZCWQUFCN-SNVBAGLBSA-N 1 2 263.301 -1.139 20 0 CAADLO COCCn1cc(C(=O)NC2C[NH+](C)C2)cnc1=O ZINC001197711829 782059173 /nfs/dbraw/zinc/05/91/73/782059173.db2.gz CDBDSARIJFANCA-UHFFFAOYSA-N 1 2 266.301 -1.067 20 0 CAADLO Cn1cc(C[N@@H+]2CCNC(=O)C2(C)C)c(=O)n(C)c1=O ZINC000093084852 294236384 /nfs/dbraw/zinc/23/63/84/294236384.db2.gz AWLJHBQJSINDHY-UHFFFAOYSA-N 1 2 280.328 -1.206 20 0 CAADLO Cn1cc(C[N@H+]2CCNC(=O)C2(C)C)c(=O)n(C)c1=O ZINC000093084852 294236388 /nfs/dbraw/zinc/23/63/88/294236388.db2.gz AWLJHBQJSINDHY-UHFFFAOYSA-N 1 2 280.328 -1.206 20 0 CAADLO Cn1ccc(N2CCC[C@H]([NH+]3C[C@@H](O)[C@H](O)C3)C2=O)n1 ZINC000278917200 294348722 /nfs/dbraw/zinc/34/87/22/294348722.db2.gz WJYPDNZFDFFLKU-HBNTYKKESA-N 1 2 280.328 -1.047 20 0 CAADLO NC(=O)C[N@@H+]1CCCN(C(=O)CCNC(N)=O)CC1 ZINC001198065153 782062457 /nfs/dbraw/zinc/06/24/57/782062457.db2.gz JRLPGERJYHDVTK-UHFFFAOYSA-N 1 2 271.321 -1.936 20 0 CAADLO NC(=O)C[N@H+]1CCCN(C(=O)CCNC(N)=O)CC1 ZINC001198065153 782062467 /nfs/dbraw/zinc/06/24/67/782062467.db2.gz JRLPGERJYHDVTK-UHFFFAOYSA-N 1 2 271.321 -1.936 20 0 CAADLO NC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@@H+]1Cc1nc(N)nc(N)n1 ZINC000346613919 295028771 /nfs/dbraw/zinc/02/87/71/295028771.db2.gz HESQRDDTQLYCJA-OOZYFLPDSA-N 1 2 277.332 -1.217 20 0 CAADLO NC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@H+]1Cc1nc(N)nc(N)n1 ZINC000346613919 295028775 /nfs/dbraw/zinc/02/87/75/295028775.db2.gz HESQRDDTQLYCJA-OOZYFLPDSA-N 1 2 277.332 -1.217 20 0 CAADLO C[C@@H]1COCCN1CC[N@@H+]1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000407960736 297125130 /nfs/dbraw/zinc/12/51/30/297125130.db2.gz ZKTNTSWASRJDMR-MNOVXSKESA-N 1 2 282.344 -1.057 20 0 CAADLO C[C@@H]1COCCN1CC[N@H+]1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000407960736 297125132 /nfs/dbraw/zinc/12/51/32/297125132.db2.gz ZKTNTSWASRJDMR-MNOVXSKESA-N 1 2 282.344 -1.057 20 0 CAADLO C[C@@H]1CO[C@H](CO)CN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000337653492 297165820 /nfs/dbraw/zinc/16/58/20/297165820.db2.gz DBNAUFIPBAWSBQ-OUAUKWLOSA-N 1 2 258.318 -1.075 20 0 CAADLO C[C@@H]1CO[C@H](CO)CN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000337653492 297165822 /nfs/dbraw/zinc/16/58/22/297165822.db2.gz DBNAUFIPBAWSBQ-OUAUKWLOSA-N 1 2 258.318 -1.075 20 0 CAADLO O=C1CC[C@@H]2CN(C[C@@H](O)C[NH+]3CCOCC3)CCN12 ZINC000379825120 335091651 /nfs/dbraw/zinc/09/16/51/335091651.db2.gz DUVBRAUJTCNRKI-OLZOCXBDSA-N 1 2 283.372 -1.014 20 0 CAADLO C[C@H](C(=O)NC(C)(C)C)[N@@H+]1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC000246723498 298128881 /nfs/dbraw/zinc/12/88/81/298128881.db2.gz UVHXINYVCPBDIP-ZJUUUORDSA-N 1 2 296.371 -1.068 20 0 CAADLO C[C@H](C(=O)NC(C)(C)C)[N@H+]1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC000246723498 298128885 /nfs/dbraw/zinc/12/88/85/298128885.db2.gz UVHXINYVCPBDIP-ZJUUUORDSA-N 1 2 296.371 -1.068 20 0 CAADLO O=C1CC[C@@H]2CN(C[C@H](O)C[NH+]3CCOCC3)CCN12 ZINC000379825119 335091682 /nfs/dbraw/zinc/09/16/82/335091682.db2.gz DUVBRAUJTCNRKI-CHWSQXEVSA-N 1 2 283.372 -1.014 20 0 CAADLO C[C@H]1CN(CC[N@@H+]2CCN3C(=O)NC(=O)[C@@H]3C2)CCO1 ZINC000407961611 300259645 /nfs/dbraw/zinc/25/96/45/300259645.db2.gz JAEWUYPLTWJNHY-QWRGUYRKSA-N 1 2 282.344 -1.057 20 0 CAADLO C[C@H]1CN(CC[N@H+]2CCN3C(=O)NC(=O)[C@@H]3C2)CCO1 ZINC000407961611 300259647 /nfs/dbraw/zinc/25/96/47/300259647.db2.gz JAEWUYPLTWJNHY-QWRGUYRKSA-N 1 2 282.344 -1.057 20 0 CAADLO C[C@H]1OC(=O)N[C@H]1C(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000496206831 300579840 /nfs/dbraw/zinc/57/98/40/300579840.db2.gz OFALJMMMYMBZCF-RKDXNWHRSA-N 1 2 298.343 -1.109 20 0 CAADLO O=C1NCC[C@H]1[N@@H+]1CCN2CCOC[C@@]2(CO)C1 ZINC001198164795 782063897 /nfs/dbraw/zinc/06/38/97/782063897.db2.gz LKHBOZCDOPSWHB-PWSUYJOCSA-N 1 2 255.318 -1.746 20 0 CAADLO O=C1NCC[C@H]1[N@H+]1CCN2CCOC[C@@]2(CO)C1 ZINC001198164795 782063907 /nfs/dbraw/zinc/06/39/07/782063907.db2.gz LKHBOZCDOPSWHB-PWSUYJOCSA-N 1 2 255.318 -1.746 20 0 CAADLO Cn1cc[nH+]c1[C@@H]1CN(C(=O)Cn2cnnn2)CCN1C ZINC000333481278 302994817 /nfs/dbraw/zinc/99/48/17/302994817.db2.gz SJBPFMMLRKPMKB-JTQLQIEISA-N 1 2 290.331 -1.078 20 0 CAADLO NC(=O)[C@@H]1CCC[N@@H+]1CC(=O)NCC(=O)N1CCCC1 ZINC000042382609 303299114 /nfs/dbraw/zinc/29/91/14/303299114.db2.gz JAOHGASWZZFATF-JTQLQIEISA-N 1 2 282.344 -1.325 20 0 CAADLO NC(=O)[C@@H]1CCC[N@H+]1CC(=O)NCC(=O)N1CCCC1 ZINC000042382609 303299118 /nfs/dbraw/zinc/29/91/18/303299118.db2.gz JAOHGASWZZFATF-JTQLQIEISA-N 1 2 282.344 -1.325 20 0 CAADLO O=C1NCC[C@H]1[N@@H+]1CCN2CCOC[C@]2(CO)C1 ZINC001198164796 782064261 /nfs/dbraw/zinc/06/42/61/782064261.db2.gz LKHBOZCDOPSWHB-ZYHUDNBSSA-N 1 2 255.318 -1.746 20 0 CAADLO O=C1NCC[C@H]1[N@H+]1CCN2CCOC[C@]2(CO)C1 ZINC001198164796 782064271 /nfs/dbraw/zinc/06/42/71/782064271.db2.gz LKHBOZCDOPSWHB-ZYHUDNBSSA-N 1 2 255.318 -1.746 20 0 CAADLO NC(=O)NCCC(=O)N[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@H]1O ZINC001198474655 782067634 /nfs/dbraw/zinc/06/76/34/782067634.db2.gz WGLAWNRWUMCABH-HRDYMLBCSA-N 1 2 299.331 -2.905 20 0 CAADLO NC(=O)NCCC(=O)N[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@H]1O ZINC001198474655 782067642 /nfs/dbraw/zinc/06/76/42/782067642.db2.gz WGLAWNRWUMCABH-HRDYMLBCSA-N 1 2 299.331 -2.905 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCNC(N)=O)C1 ZINC001198489320 782067726 /nfs/dbraw/zinc/06/77/26/782067726.db2.gz FRFVYZXCTGSYJY-XLPZGREQSA-N 1 2 287.320 -2.920 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCNC(N)=O)C1 ZINC001198489320 782067736 /nfs/dbraw/zinc/06/77/36/782067736.db2.gz FRFVYZXCTGSYJY-XLPZGREQSA-N 1 2 287.320 -2.920 20 0 CAADLO O=C(N[C@H](CO)C[NH+]1CCOCC1)[C@@H]1CCCCC(=O)N1 ZINC000424527328 303933507 /nfs/dbraw/zinc/93/35/07/303933507.db2.gz DXHWMQDMLQTJTL-RYUDHWBXSA-N 1 2 299.371 -1.146 20 0 CAADLO COC(=O)C[C@@H](C)NC(=O)CN1CC[NH2+]CC1=O ZINC000570797017 327620066 /nfs/dbraw/zinc/62/00/66/327620066.db2.gz MHPIADQGDZNPFE-MRVPVSSYSA-N 1 2 257.290 -1.514 20 0 CAADLO Cn1nnc(CNC(=O)NCC[NH+]2CCOCC2)n1 ZINC000570900474 327631369 /nfs/dbraw/zinc/63/13/69/327631369.db2.gz QNDRTOUMGAYCNB-UHFFFAOYSA-N 1 2 269.309 -1.659 20 0 CAADLO CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)CS(C)(=O)=O)C1 ZINC001199153043 782074545 /nfs/dbraw/zinc/07/45/45/782074545.db2.gz DVEMXFDAFVDPBM-OPRDCNLKSA-N 1 2 278.374 -1.152 20 0 CAADLO CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)CS(C)(=O)=O)C1 ZINC001199153043 782074554 /nfs/dbraw/zinc/07/45/54/782074554.db2.gz DVEMXFDAFVDPBM-OPRDCNLKSA-N 1 2 278.374 -1.152 20 0 CAADLO Cn1cc(CCC(=O)N[C@@H]2C[N@H+](CCF)C[C@H]2O)nn1 ZINC001199515271 782081762 /nfs/dbraw/zinc/08/17/62/782081762.db2.gz RSRFGBWDDQBQON-GHMZBOCLSA-N 1 2 285.323 -1.122 20 0 CAADLO Cn1cc(CCC(=O)N[C@@H]2C[N@@H+](CCF)C[C@H]2O)nn1 ZINC001199515271 782081769 /nfs/dbraw/zinc/08/17/69/782081769.db2.gz RSRFGBWDDQBQON-GHMZBOCLSA-N 1 2 285.323 -1.122 20 0 CAADLO NC(=O)CN1C[C@@H](O)[C@H](NC(=O)CCCn2cc[nH+]c2)C1 ZINC001199353101 782078438 /nfs/dbraw/zinc/07/84/38/782078438.db2.gz AQCBWOUMVGAGPM-GHMZBOCLSA-N 1 2 295.343 -1.690 20 0 CAADLO O=C([C@@H]1C[N@@H+]2CCN1CCC2)N1CCS(=O)(=O)CC1 ZINC000534272597 328043018 /nfs/dbraw/zinc/04/30/18/328043018.db2.gz MACJKJHIBAWBJU-NSHDSACASA-N 1 2 287.385 -1.367 20 0 CAADLO O=C([C@@H]1C[N@H+]2CCN1CCC2)N1CCS(=O)(=O)CC1 ZINC000534272597 328043020 /nfs/dbraw/zinc/04/30/20/328043020.db2.gz MACJKJHIBAWBJU-NSHDSACASA-N 1 2 287.385 -1.367 20 0 CAADLO CC(=O)[C@@H](NC(=O)C[NH2+][C@]1(C(N)=O)CCOC1)C(C)C ZINC000563354882 328057647 /nfs/dbraw/zinc/05/76/47/328057647.db2.gz BVZPRNFLMICZOM-WCQYABFASA-N 1 2 285.344 -1.050 20 0 CAADLO CNS(=O)(=O)CC(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC000571393793 328118266 /nfs/dbraw/zinc/11/82/66/328118266.db2.gz ZBRBYHFMOWLWOP-SNVBAGLBSA-N 1 2 293.389 -1.285 20 0 CAADLO O=C(CN1CC[NH2+]CC1=O)N1CCC[C@H]2C(=O)NC[C@H]21 ZINC000571401105 328119120 /nfs/dbraw/zinc/11/91/20/328119120.db2.gz PKVSERQPJBDWPS-NXEZZACHSA-N 1 2 280.328 -1.845 20 0 CAADLO CN1C[C@@]2(CC[N@H+](CCS(C)(=O)=O)C2)OCC1=O ZINC001273811484 782093092 /nfs/dbraw/zinc/09/30/92/782093092.db2.gz IYYOFSKWPDEKED-LLVKDONJSA-N 1 2 276.358 -1.036 20 0 CAADLO CN1C[C@@]2(CC[N@@H+](CCS(C)(=O)=O)C2)OCC1=O ZINC001273811484 782093102 /nfs/dbraw/zinc/09/31/02/782093102.db2.gz IYYOFSKWPDEKED-LLVKDONJSA-N 1 2 276.358 -1.036 20 0 CAADLO COCC(=O)N(C)CC(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000534695458 328356847 /nfs/dbraw/zinc/35/68/47/328356847.db2.gz HABSALGUZLQCKN-LLVKDONJSA-N 1 2 287.360 -1.072 20 0 CAADLO COCC(=O)N(C)CC(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000534695458 328356848 /nfs/dbraw/zinc/35/68/48/328356848.db2.gz HABSALGUZLQCKN-LLVKDONJSA-N 1 2 287.360 -1.072 20 0 CAADLO COCC(=O)N(C)CC(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000534695474 328356912 /nfs/dbraw/zinc/35/69/12/328356912.db2.gz HABSALGUZLQCKN-NSHDSACASA-N 1 2 287.360 -1.072 20 0 CAADLO COCC(=O)N(C)CC(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000534695474 328356913 /nfs/dbraw/zinc/35/69/13/328356913.db2.gz HABSALGUZLQCKN-NSHDSACASA-N 1 2 287.360 -1.072 20 0 CAADLO C[C@@H](CNC(=O)[C@H]1C[N@@H+]2CCN1CCC2)S(C)(=O)=O ZINC000535016524 328375888 /nfs/dbraw/zinc/37/58/88/328375888.db2.gz CDNFLEXUEBQCOT-WDEREUQCSA-N 1 2 289.401 -1.074 20 0 CAADLO C[C@@H](CNC(=O)[C@H]1C[N@H+]2CCN1CCC2)S(C)(=O)=O ZINC000535016524 328375890 /nfs/dbraw/zinc/37/58/90/328375890.db2.gz CDNFLEXUEBQCOT-WDEREUQCSA-N 1 2 289.401 -1.074 20 0 CAADLO CCN(C(=O)C[N@H+](C)CCO)[C@@H]1CCS(=O)(=O)C1 ZINC000049634105 328376112 /nfs/dbraw/zinc/37/61/12/328376112.db2.gz MFWYHESYIBLXMN-SNVBAGLBSA-N 1 2 278.374 -1.054 20 0 CAADLO CCN(C(=O)C[N@@H+](C)CCO)[C@@H]1CCS(=O)(=O)C1 ZINC000049634105 328376113 /nfs/dbraw/zinc/37/61/13/328376113.db2.gz MFWYHESYIBLXMN-SNVBAGLBSA-N 1 2 278.374 -1.054 20 0 CAADLO Cn1nnnc1N1CC[NH+](CC(=O)NC2CC2)CC1 ZINC000557456346 327006323 /nfs/dbraw/zinc/00/63/23/327006323.db2.gz GWAZPDZPWOUIAL-UHFFFAOYSA-N 1 2 265.321 -1.389 20 0 CAADLO COC(=O)CCNC(=O)C[N@H+](C)CCNC(C)=O ZINC000584111578 327009095 /nfs/dbraw/zinc/00/90/95/327009095.db2.gz KTGKEJPARQDPMN-UHFFFAOYSA-N 1 2 259.306 -1.266 20 0 CAADLO COC(=O)CCNC(=O)C[N@@H+](C)CCNC(C)=O ZINC000584111578 327009096 /nfs/dbraw/zinc/00/90/96/327009096.db2.gz KTGKEJPARQDPMN-UHFFFAOYSA-N 1 2 259.306 -1.266 20 0 CAADLO C[C@H](CC(N)=O)NS(=O)(=O)CCC[NH+]1CCOCC1 ZINC000558659714 327112901 /nfs/dbraw/zinc/11/29/01/327112901.db2.gz MAJJSAMZSOUVBQ-SNVBAGLBSA-N 1 2 293.389 -1.108 20 0 CAADLO O[C@H](CN1C[C@@H]2COC[C@H](C1)O2)C[NH+]1CCOCC1 ZINC000558748375 327118697 /nfs/dbraw/zinc/11/86/97/327118697.db2.gz OMIKVMUCOXDZBU-RWMBFGLXSA-N 1 2 272.345 -1.221 20 0 CAADLO C[C@@H]1C[N@H+](CCNC(=O)CCn2ncn(C)c2=O)CCO1 ZINC000559397958 327243780 /nfs/dbraw/zinc/24/37/80/327243780.db2.gz XVYMHGZHPWBVBI-LLVKDONJSA-N 1 2 297.359 -1.191 20 0 CAADLO C[C@@H]1C[N@@H+](CCNC(=O)CCn2ncn(C)c2=O)CCO1 ZINC000559397958 327243781 /nfs/dbraw/zinc/24/37/81/327243781.db2.gz XVYMHGZHPWBVBI-LLVKDONJSA-N 1 2 297.359 -1.191 20 0 CAADLO CN(C)C(=O)C(C)(C)NC(=O)CN1CC[NH2+]CC1=O ZINC000566247177 327258986 /nfs/dbraw/zinc/25/89/86/327258986.db2.gz CHYRVYXULNSTPU-UHFFFAOYSA-N 1 2 270.333 -1.599 20 0 CAADLO C[C@H](C[S@](C)=O)NC(=O)CN1CC[NH2+]CC1=O ZINC000572600380 327297904 /nfs/dbraw/zinc/29/79/04/327297904.db2.gz RRVSCTHOUAZBEG-RBHXEPJQSA-N 1 2 261.347 -1.699 20 0 CAADLO C[C@@H](C[S@](C)=O)NC(=O)CN1CC[NH2+]CC1=O ZINC000572600379 327297930 /nfs/dbraw/zinc/29/79/30/327297930.db2.gz RRVSCTHOUAZBEG-QPFGOUBPSA-N 1 2 261.347 -1.699 20 0 CAADLO O=C(N[C@@H](CO)C[NH+]1CCOCC1)[C@@H]1COCCO1 ZINC000560454385 327310134 /nfs/dbraw/zinc/31/01/34/327310134.db2.gz BOSMFSMGMWEJJO-MNOVXSKESA-N 1 2 274.317 -1.789 20 0 CAADLO O=C(N[C@H](CO)C[NH+]1CCOCC1)[C@H]1COCCO1 ZINC000560454387 327310174 /nfs/dbraw/zinc/31/01/74/327310174.db2.gz BOSMFSMGMWEJJO-WDEREUQCSA-N 1 2 274.317 -1.789 20 0 CAADLO O=C(CN1CCOCC1=O)NCC[NH+]1CCOCC1 ZINC000561420406 327394114 /nfs/dbraw/zinc/39/41/14/327394114.db2.gz KPSLMBUJSSKJTF-UHFFFAOYSA-N 1 2 271.317 -1.706 20 0 CAADLO CN1CC[N@H+](C)C[C@H]1CNS(=O)(=O)NC1CC1 ZINC000547792189 329074617 /nfs/dbraw/zinc/07/46/17/329074617.db2.gz HHADCBVRHXDVQS-SNVBAGLBSA-N 1 2 262.379 -1.181 20 0 CAADLO CN1CC[N@@H+](C)C[C@H]1CNS(=O)(=O)NC1CC1 ZINC000547792189 329074618 /nfs/dbraw/zinc/07/46/18/329074618.db2.gz HHADCBVRHXDVQS-SNVBAGLBSA-N 1 2 262.379 -1.181 20 0 CAADLO COC(=O)[C@H]1COCCN1C(=O)CN1CC[NH2+]CC1=O ZINC000582906183 329285164 /nfs/dbraw/zinc/28/51/64/329285164.db2.gz LAONNGKRXVSYCP-SECBINFHSA-N 1 2 285.300 -2.181 20 0 CAADLO O=C(CN1CC[NH2+]CC1=O)N1CCc2n[nH]cc2C1 ZINC000583204420 329363790 /nfs/dbraw/zinc/36/37/90/329363790.db2.gz PJGPIHWKYAQEHI-UHFFFAOYSA-N 1 2 263.301 -1.274 20 0 CAADLO CNS(=O)(=O)[C@@H]1CC[N@@H+]([C@H]2CC(=O)NC2=O)C1 ZINC000583212739 329368684 /nfs/dbraw/zinc/36/86/84/329368684.db2.gz UYCFYOWSBUVVKV-RQJHMYQMSA-N 1 2 261.303 -1.975 20 0 CAADLO CNS(=O)(=O)[C@@H]1CC[N@H+]([C@H]2CC(=O)NC2=O)C1 ZINC000583212739 329368685 /nfs/dbraw/zinc/36/86/85/329368685.db2.gz UYCFYOWSBUVVKV-RQJHMYQMSA-N 1 2 261.303 -1.975 20 0 CAADLO CNS(=O)(=O)[C@H]1CC[N@@H+]([C@H]2CC(=O)NC2=O)C1 ZINC000583212735 329368844 /nfs/dbraw/zinc/36/88/44/329368844.db2.gz UYCFYOWSBUVVKV-BQBZGAKWSA-N 1 2 261.303 -1.975 20 0 CAADLO CNS(=O)(=O)[C@H]1CC[N@H+]([C@H]2CC(=O)NC2=O)C1 ZINC000583212735 329368846 /nfs/dbraw/zinc/36/88/46/329368846.db2.gz UYCFYOWSBUVVKV-BQBZGAKWSA-N 1 2 261.303 -1.975 20 0 CAADLO O=C(CN1CC[NH2+]CC1=O)N[C@@H]1CCCC[C@H]1O ZINC000583870237 329523013 /nfs/dbraw/zinc/52/30/13/329523013.db2.gz GMFOJGONMRHVMS-NXEZZACHSA-N 1 2 255.318 -1.162 20 0 CAADLO COC(=O)C[C@H]1C(=O)NCC[N@H+]1CCOCCO ZINC000352245815 533710548 /nfs/dbraw/zinc/71/05/48/533710548.db2.gz CZEOXJMPOXHLSS-VIFPVBQESA-N 1 2 260.290 -1.641 20 0 CAADLO COC(=O)C[C@H]1C(=O)NCC[N@@H+]1CCOCCO ZINC000352245815 533710565 /nfs/dbraw/zinc/71/05/65/533710565.db2.gz CZEOXJMPOXHLSS-VIFPVBQESA-N 1 2 260.290 -1.641 20 0 CAADLO CN1C[C@@H](NC(=O)NC[C@H]2CN(C)CC[N@@H+]2C)CC1=O ZINC000332964314 330126326 /nfs/dbraw/zinc/12/63/26/330126326.db2.gz WKHIMSONWZHLHF-QWRGUYRKSA-N 1 2 283.376 -1.238 20 0 CAADLO CN1C[C@@H](NC(=O)NC[C@H]2CN(C)CC[N@H+]2C)CC1=O ZINC000332964314 330126327 /nfs/dbraw/zinc/12/63/27/330126327.db2.gz WKHIMSONWZHLHF-QWRGUYRKSA-N 1 2 283.376 -1.238 20 0 CAADLO C[C@H](C[NH+]1CCOCC1)NC(=O)CCNS(C)(=O)=O ZINC000046888942 330357578 /nfs/dbraw/zinc/35/75/78/330357578.db2.gz VVVKSNYPLSLKIS-SNVBAGLBSA-N 1 2 293.389 -1.237 20 0 CAADLO C[C@H]1OCC[C@@H]1C(=O)NCC(=O)NCC[NH+]1CCOCC1 ZINC000537737226 330456407 /nfs/dbraw/zinc/45/64/07/330456407.db2.gz VKXLDIQCYNLXJW-NEPJUHHUSA-N 1 2 299.371 -1.024 20 0 CAADLO CC[C@@H]1C[N@H+](CCNC(=O)C[C@@H]2NC(=O)NC2=O)CCO1 ZINC000575637061 335109399 /nfs/dbraw/zinc/10/93/99/335109399.db2.gz HNMLLVMJPZAQFO-ZJUUUORDSA-N 1 2 298.343 -1.189 20 0 CAADLO CC[C@@H]1C[N@@H+](CCNC(=O)C[C@@H]2NC(=O)NC2=O)CCO1 ZINC000575637061 335109400 /nfs/dbraw/zinc/10/94/00/335109400.db2.gz HNMLLVMJPZAQFO-ZJUUUORDSA-N 1 2 298.343 -1.189 20 0 CAADLO CCNC(=O)CC[NH+]1CCN(S(=O)(=O)NC)CC1 ZINC000575759586 335112934 /nfs/dbraw/zinc/11/29/34/335112934.db2.gz SWUMOZMWVKSWPI-UHFFFAOYSA-N 1 2 278.378 -1.406 20 0 CAADLO Cn1cnn(CC(=O)NCCn2cc[nH+]c2)c1=O ZINC000538706712 333613031 /nfs/dbraw/zinc/61/30/31/333613031.db2.gz QIWDGOIKFJSXQO-UHFFFAOYSA-N 1 2 250.262 -1.405 20 0 CAADLO C[C@H](Cn1cc[nH+]c1)NC(=O)Cn1ncn(C)c1=O ZINC000538711928 333613488 /nfs/dbraw/zinc/61/34/88/333613488.db2.gz AYCDILCOEWMHTM-SECBINFHSA-N 1 2 264.289 -1.017 20 0 CAADLO O[C@@H](CNCc1nnnn1CC1CC1)C[NH+]1CCOCC1 ZINC000576102184 335153880 /nfs/dbraw/zinc/15/38/80/335153880.db2.gz XNZYAIHCFLTZRM-LBPRGKRZSA-N 1 2 296.375 -1.134 20 0 CAADLO O[C@H](CNCc1nnnn1CC1CC1)C[NH+]1CCOCC1 ZINC000576102183 335153974 /nfs/dbraw/zinc/15/39/74/335153974.db2.gz XNZYAIHCFLTZRM-GFCCVEGCSA-N 1 2 296.375 -1.134 20 0 CAADLO Cn1ccnc1C[NH2+][C@H]1CC(=O)N(CCOCCO)C1=O ZINC000576118451 335156953 /nfs/dbraw/zinc/15/69/53/335156953.db2.gz MGXDWPCFBBOHML-JTQLQIEISA-N 1 2 296.327 -1.354 20 0 CAADLO CNC(=O)[C@@H](C)NS(=O)(=O)CCC[NH+]1CCOCC1 ZINC000545918364 334005975 /nfs/dbraw/zinc/00/59/75/334005975.db2.gz YYCUACXYNLQGNE-SNVBAGLBSA-N 1 2 293.389 -1.237 20 0 CAADLO COc1c(N)nc[nH+]c1N1CC[C@@](O)(C(N)=O)C1 ZINC000311160423 334016283 /nfs/dbraw/zinc/01/62/83/334016283.db2.gz PLHZISRMTWNRKD-JTQLQIEISA-N 1 2 253.262 -1.506 20 0 CAADLO COc1c(N)[nH+]cnc1N1CC[C@@](O)(C(N)=O)C1 ZINC000311160423 334016282 /nfs/dbraw/zinc/01/62/82/334016282.db2.gz PLHZISRMTWNRKD-JTQLQIEISA-N 1 2 253.262 -1.506 20 0 CAADLO COC(=O)[C@@H]1[C@@H](O)CCCN1C(=O)CN1CC[NH2+]CC1=O ZINC000576228592 335174299 /nfs/dbraw/zinc/17/42/99/335174299.db2.gz ZIVDJITXGSKVIO-CABZTGNLSA-N 1 2 299.327 -2.057 20 0 CAADLO COC(=O)[C@@H]1[C@H](O)CCCN1C(=O)CN1CC[NH2+]CC1=O ZINC000576228594 335174302 /nfs/dbraw/zinc/17/43/02/335174302.db2.gz ZIVDJITXGSKVIO-SKDRFNHKSA-N 1 2 299.327 -2.057 20 0 CAADLO Cc1cc(NC(=O)C[NH+](CCO)CCO)n(C)n1 ZINC000075714194 334049400 /nfs/dbraw/zinc/04/94/00/334049400.db2.gz QRXIADBJWMFZEV-UHFFFAOYSA-N 1 2 256.306 -1.046 20 0 CAADLO CN(CC(=O)N1CC([NH+](C)C)C1)[C@H]1CCS(=O)(=O)C1 ZINC000134969687 334110101 /nfs/dbraw/zinc/11/01/01/334110101.db2.gz KPGVQDCBYLNMMN-JTQLQIEISA-N 1 2 289.401 -1.122 20 0 CAADLO CN(CC(=O)N1CC([NH+](C)C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000134969663 334110228 /nfs/dbraw/zinc/11/02/28/334110228.db2.gz KPGVQDCBYLNMMN-SNVBAGLBSA-N 1 2 289.401 -1.122 20 0 CAADLO OCCNc1nc(NC[C@@H](O)CO)[nH+]c2ccccc21 ZINC000547708648 334110817 /nfs/dbraw/zinc/11/08/17/334110817.db2.gz NKWTZVIEMBCILV-SECBINFHSA-N 1 2 278.312 -1.357 20 0 CAADLO CCn1c(N)c(C(=O)C[N@@H+]2CCC[C@H](O)C2)c(=O)[nH]c1=O ZINC000078406428 334132911 /nfs/dbraw/zinc/13/29/11/334132911.db2.gz SNUIEJGBZZXCSK-QMMMGPOBSA-N 1 2 296.327 -1.222 20 0 CAADLO CCn1c(N)c(C(=O)C[N@H+]2CCC[C@H](O)C2)c(=O)[nH]c1=O ZINC000078406428 334132913 /nfs/dbraw/zinc/13/29/13/334132913.db2.gz SNUIEJGBZZXCSK-QMMMGPOBSA-N 1 2 296.327 -1.222 20 0 CAADLO C[C@@H]1C[N@H+](CCNC(=O)CN2CCOCC2=O)CCO1 ZINC000548060753 334137497 /nfs/dbraw/zinc/13/74/97/334137497.db2.gz CEUJOJVNRFPZOS-LLVKDONJSA-N 1 2 285.344 -1.318 20 0 CAADLO C[C@@H]1C[N@@H+](CCNC(=O)CN2CCOCC2=O)CCO1 ZINC000548060753 334137498 /nfs/dbraw/zinc/13/74/98/334137498.db2.gz CEUJOJVNRFPZOS-LLVKDONJSA-N 1 2 285.344 -1.318 20 0 CAADLO C[C@H]1C[N@H+](CCNC(=O)CN2CCOCC2=O)CCO1 ZINC000548060754 334137556 /nfs/dbraw/zinc/13/75/56/334137556.db2.gz CEUJOJVNRFPZOS-NSHDSACASA-N 1 2 285.344 -1.318 20 0 CAADLO C[C@H]1C[N@@H+](CCNC(=O)CN2CCOCC2=O)CCO1 ZINC000548060754 334137557 /nfs/dbraw/zinc/13/75/57/334137557.db2.gz CEUJOJVNRFPZOS-NSHDSACASA-N 1 2 285.344 -1.318 20 0 CAADLO O=C1C[C@H](NS(=O)(=O)CCC[NH+]2CCOCC2)CN1 ZINC000548370952 334152667 /nfs/dbraw/zinc/15/26/67/334152667.db2.gz UVSHLSQIJPULLM-JTQLQIEISA-N 1 2 291.373 -1.483 20 0 CAADLO C[C@H]1C[N@H+](CCNC(=O)CN2CCN(C)C(=O)C2)CCO1 ZINC000548374399 334152796 /nfs/dbraw/zinc/15/27/96/334152796.db2.gz TYTBRQILUFLGKC-LBPRGKRZSA-N 1 2 298.387 -1.403 20 0 CAADLO C[C@H]1C[N@@H+](CCNC(=O)CN2CCN(C)C(=O)C2)CCO1 ZINC000548374399 334152798 /nfs/dbraw/zinc/15/27/98/334152798.db2.gz TYTBRQILUFLGKC-LBPRGKRZSA-N 1 2 298.387 -1.403 20 0 CAADLO C[C@@H]1C[N@H+](CCNC(=O)CN2CCN(C)C(=O)C2)CCO1 ZINC000548374398 334152857 /nfs/dbraw/zinc/15/28/57/334152857.db2.gz TYTBRQILUFLGKC-GFCCVEGCSA-N 1 2 298.387 -1.403 20 0 CAADLO C[C@@H]1C[N@@H+](CCNC(=O)CN2CCN(C)C(=O)C2)CCO1 ZINC000548374398 334152858 /nfs/dbraw/zinc/15/28/58/334152858.db2.gz TYTBRQILUFLGKC-GFCCVEGCSA-N 1 2 298.387 -1.403 20 0 CAADLO Cn1c[nH+]cc1CCNC(=O)CN1CCOCC1=O ZINC000548392589 334154076 /nfs/dbraw/zinc/15/40/76/334154076.db2.gz JBBAAINCSCSEKI-UHFFFAOYSA-N 1 2 266.301 -1.062 20 0 CAADLO CCS(=O)(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000081074421 334178127 /nfs/dbraw/zinc/17/81/27/334178127.db2.gz OTOXQXYGBKRIHO-SNVBAGLBSA-N 1 2 266.363 -1.039 20 0 CAADLO CCNS(=O)(=O)[C@H]1CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC000245526678 334200706 /nfs/dbraw/zinc/20/07/06/334200706.db2.gz CIDCWGRAFCICNG-IUCAKERBSA-N 1 2 261.347 -1.112 20 0 CAADLO CCNS(=O)(=O)[C@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC000245526678 334200707 /nfs/dbraw/zinc/20/07/07/334200707.db2.gz CIDCWGRAFCICNG-IUCAKERBSA-N 1 2 261.347 -1.112 20 0 CAADLO O=C(CN1CCCCC1=O)N[C@H](CO)C[NH+]1CCOCC1 ZINC000549726756 334202950 /nfs/dbraw/zinc/20/29/50/334202950.db2.gz QVUONBRVTAPXQP-LBPRGKRZSA-N 1 2 299.371 -1.192 20 0 CAADLO O=C(CN1CCCCC1=O)N[C@@H](CO)C[NH+]1CCOCC1 ZINC000549726753 334203070 /nfs/dbraw/zinc/20/30/70/334203070.db2.gz QVUONBRVTAPXQP-GFCCVEGCSA-N 1 2 299.371 -1.192 20 0 CAADLO CN1CC[C@@H]([N@@H+]2CC[C@@H](NS(C)(=O)=O)C2)C1=O ZINC000246939597 334272393 /nfs/dbraw/zinc/27/23/93/334272393.db2.gz CFDKMXGPYQFSKM-RKDXNWHRSA-N 1 2 261.347 -1.159 20 0 CAADLO CN1CC[C@@H]([N@H+]2CC[C@@H](NS(C)(=O)=O)C2)C1=O ZINC000246939597 334272395 /nfs/dbraw/zinc/27/23/95/334272395.db2.gz CFDKMXGPYQFSKM-RKDXNWHRSA-N 1 2 261.347 -1.159 20 0 CAADLO CN(CC[NH+]1CCOCC1)C(=O)C(=O)NCc1cc[nH]n1 ZINC000549793304 334205283 /nfs/dbraw/zinc/20/52/83/334205283.db2.gz MBAFYQTUMGVVCY-UHFFFAOYSA-N 1 2 295.343 -1.184 20 0 CAADLO Cn1cnn(CCC(=O)NC[C@@H]2C[NH+]3CCN2CC3)c1=O ZINC000551722717 334259002 /nfs/dbraw/zinc/25/90/02/334259002.db2.gz JBIFGVQNNQLTMZ-LLVKDONJSA-N 1 2 294.359 -1.912 20 0 CAADLO COC(=O)[C@@H](NC(=O)C[N@@H+]1C[C@H](O)C[C@H]1CO)C(C)C ZINC000564389445 334305524 /nfs/dbraw/zinc/30/55/24/334305524.db2.gz FVSCCDYGAAZDKQ-UMNHJUIQSA-N 1 2 288.344 -1.272 20 0 CAADLO COC(=O)[C@@H](NC(=O)C[N@H+]1C[C@H](O)C[C@H]1CO)C(C)C ZINC000564389445 334305525 /nfs/dbraw/zinc/30/55/25/334305525.db2.gz FVSCCDYGAAZDKQ-UMNHJUIQSA-N 1 2 288.344 -1.272 20 0 CAADLO C[C@@H]1CN(C[C@H](O)C[NH+]2CCOCC2)C[C@@H](CO)O1 ZINC000248819417 334318271 /nfs/dbraw/zinc/31/82/71/334318271.db2.gz IZQAOWSXSSBOAP-UPJWGTAASA-N 1 2 274.361 -1.239 20 0 CAADLO C[C@H](c1nnnn1C)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000249267467 334330737 /nfs/dbraw/zinc/33/07/37/334330737.db2.gz IRAYRCOUYDXAPM-GHMZBOCLSA-N 1 2 284.364 -1.104 20 0 CAADLO CN(C[C@H](O)C[NH+]1CCOCC1)c1nnnn1C ZINC000572533598 334360282 /nfs/dbraw/zinc/36/02/82/334360282.db2.gz PJDPDTZYNRDGNX-VIFPVBQESA-N 1 2 256.310 -1.661 20 0 CAADLO NC(=O)[C@H]1CC[C@@H]1C(=O)NCC[NH+]1CCOCC1 ZINC000553202136 334368575 /nfs/dbraw/zinc/36/85/75/334368575.db2.gz NHMHDEGUFSEJAZ-UWVGGRQHSA-N 1 2 255.318 -1.054 20 0 CAADLO CC(C)n1ncnc1CNC(=O)CN1CC[NH2+]CC1=O ZINC000564940175 334529562 /nfs/dbraw/zinc/52/95/62/334529562.db2.gz SWQPQUROJDAISU-UHFFFAOYSA-N 1 2 280.332 -1.093 20 0 CAADLO C[C@H](C[S@@](C)=O)N(C)C(=O)CN1CC[NH2+]CC1=O ZINC000565891360 334606602 /nfs/dbraw/zinc/60/66/02/334606602.db2.gz BGYDPDVDPRHPNB-DYBLOJMWSA-N 1 2 275.374 -1.356 20 0 CAADLO C[C@H](CS(C)(=O)=O)N(C)C(=O)CN1CC[NH2+]CC1=O ZINC000566558504 334655324 /nfs/dbraw/zinc/65/53/24/334655324.db2.gz DSAWRBGUVNIACY-SECBINFHSA-N 1 2 291.373 -1.690 20 0 CAADLO CC1(C(N)=O)C[NH+](CC(=O)N2CCNC(=O)C2)C1 ZINC000566558867 334655373 /nfs/dbraw/zinc/65/53/73/334655373.db2.gz MZNQYWNOSDGUHD-UHFFFAOYSA-N 1 2 254.290 -2.248 20 0 CAADLO C[C@@H](CS(C)(=O)=O)N(C)C(=O)CN1CC[NH2+]CC1=O ZINC000566558505 334655411 /nfs/dbraw/zinc/65/54/11/334655411.db2.gz DSAWRBGUVNIACY-VIFPVBQESA-N 1 2 291.373 -1.690 20 0 CAADLO NS(=O)(=O)C1(C(=O)NCC[NH+]2CCSCC2)CC1 ZINC000566624125 334658293 /nfs/dbraw/zinc/65/82/93/334658293.db2.gz MBBYKVTXOUPBHN-UHFFFAOYSA-N 1 2 293.414 -1.028 20 0 CAADLO Cc1nnc(NC(=O)CN2CC[NH2+]CC2=O)n1C ZINC000566794732 334664587 /nfs/dbraw/zinc/66/45/87/334664587.db2.gz AUWLMXVHHSSVOX-UHFFFAOYSA-N 1 2 252.278 -1.506 20 0 CAADLO CCn1cc[nH+]c1CNC(=O)CNS(=O)(=O)NC ZINC000568145459 334796059 /nfs/dbraw/zinc/79/60/59/334796059.db2.gz XFLFLMHDYUASBD-UHFFFAOYSA-N 1 2 275.334 -1.427 20 0 CAADLO C[C@H](NC(=O)CN1CC[NH2+]CC1=O)C(=O)N(C)C ZINC000568627159 334833314 /nfs/dbraw/zinc/83/33/14/334833314.db2.gz SJTISZZXYXJMDF-QMMMGPOBSA-N 1 2 256.306 -1.989 20 0 CAADLO CCc1nncn1CCNC(=O)CN1CC[NH2+]CC1=O ZINC000569100755 334855078 /nfs/dbraw/zinc/85/50/78/334855078.db2.gz PLHKEYSABPCGKD-UHFFFAOYSA-N 1 2 280.332 -1.612 20 0 CAADLO COC(=O)CNC(=O)[C@@H](C)[NH+]1CC(C)(C(N)=O)C1 ZINC000569218311 334861691 /nfs/dbraw/zinc/86/16/91/334861691.db2.gz YVMGCJISFXIVBQ-SSDOTTSWSA-N 1 2 257.290 -1.529 20 0 CAADLO CNS(=O)(=O)C1CC[NH+]([C@H]2CC(=O)N(C)C2=O)CC1 ZINC000569135842 334857453 /nfs/dbraw/zinc/85/74/53/334857453.db2.gz LGUHJYDZGITSDD-VIFPVBQESA-N 1 2 289.357 -1.243 20 0 CAADLO CC1(CS(=O)(=O)NC[C@@H]2C[NH+]3CCN2CC3)COC1 ZINC000573056694 334904085 /nfs/dbraw/zinc/90/40/85/334904085.db2.gz ODJPDQHUBVWQAI-LLVKDONJSA-N 1 2 289.401 -1.058 20 0 CAADLO NC(=O)C1(CNC(=O)CN2CC[NH2+]CC2=O)CCCC1 ZINC000576344142 335191991 /nfs/dbraw/zinc/19/19/91/335191991.db2.gz STFYAERFLZLEGC-UHFFFAOYSA-N 1 2 282.344 -1.420 20 0 CAADLO CCN(C)C(=O)CNC(=O)CN1CC[NH2+]CC1=O ZINC000576581365 335221498 /nfs/dbraw/zinc/22/14/98/335221498.db2.gz IBGXSYWITBYUHK-UHFFFAOYSA-N 1 2 256.306 -1.987 20 0 CAADLO CNC(=O)NC1CN(C(=O)[C@H](C)[NH+]2CCOCC2)C1 ZINC000580569955 335284884 /nfs/dbraw/zinc/28/48/84/335284884.db2.gz KIWHEVBYEURPPE-VIFPVBQESA-N 1 2 270.333 -1.153 20 0 CAADLO O=C(NC1CC1)N[C@H]1CC[N@@H+]([C@@H]2CC(=O)NC2=O)C1 ZINC000580579198 335289933 /nfs/dbraw/zinc/28/99/33/335289933.db2.gz FIXRWQALMBZQNB-DTWKUNHWSA-N 1 2 266.301 -1.063 20 0 CAADLO O=C(NC1CC1)N[C@H]1CC[N@H+]([C@@H]2CC(=O)NC2=O)C1 ZINC000580579198 335289935 /nfs/dbraw/zinc/28/99/35/335289935.db2.gz FIXRWQALMBZQNB-DTWKUNHWSA-N 1 2 266.301 -1.063 20 0 CAADLO C[C@@H]1CN(C(=O)C(=O)N(C)Cc2c[nH+]c[nH]2)C[C@H](CO)O1 ZINC000580580149 335290270 /nfs/dbraw/zinc/29/02/70/335290270.db2.gz BLJBZDQMYXBTOG-MWLCHTKSSA-N 1 2 296.327 -1.024 20 0 CAADLO C[C@@H]1CN(C(=O)C(=O)N(C)Cc2c[nH]c[nH+]2)C[C@H](CO)O1 ZINC000580580149 335290271 /nfs/dbraw/zinc/29/02/71/335290271.db2.gz BLJBZDQMYXBTOG-MWLCHTKSSA-N 1 2 296.327 -1.024 20 0 CAADLO Cn1c[nH+]cc1CC(=O)N[C@H](CO)CN1CCOCC1 ZINC000577504192 335360873 /nfs/dbraw/zinc/36/08/73/335360873.db2.gz JAAXSZDEDXLBOV-NSHDSACASA-N 1 2 282.344 -1.228 20 0 CAADLO Cn1c[nH+]cc1CC(=O)N[C@@H](CO)CN1CCOCC1 ZINC000577504191 335360996 /nfs/dbraw/zinc/36/09/96/335360996.db2.gz JAAXSZDEDXLBOV-LLVKDONJSA-N 1 2 282.344 -1.228 20 0 CAADLO CNC(=O)CCC[NH+]1CCN(S(N)(=O)=O)CC1 ZINC000577506424 335361431 /nfs/dbraw/zinc/36/14/31/335361431.db2.gz VXXFXHZFMRYZSZ-UHFFFAOYSA-N 1 2 264.351 -1.666 20 0 CAADLO NC(=O)[C@@H]1CC[C@@H](C(=O)NC[C@H]2C[NH+]3CCN2CC3)O1 ZINC000577669625 335387484 /nfs/dbraw/zinc/38/74/84/335387484.db2.gz SILOPJPCMSIXIQ-DCAQKATOSA-N 1 2 282.344 -1.865 20 0 CAADLO NC(=O)[C@@H]1CC[C@H](C(=O)NC[C@@H]2C[NH+]3CCN2CC3)O1 ZINC000577669628 335387563 /nfs/dbraw/zinc/38/75/63/335387563.db2.gz SILOPJPCMSIXIQ-OUAUKWLOSA-N 1 2 282.344 -1.865 20 0 CAADLO CN(C)S(=O)(=O)N(C)CC(=O)NCCn1cc[nH+]c1 ZINC000577735964 335394279 /nfs/dbraw/zinc/39/42/79/335394279.db2.gz XZASQQOIPWWWNY-UHFFFAOYSA-N 1 2 289.361 -1.263 20 0 CAADLO CN(Cc1[nH+]ccn1C)C(=O)C(=O)N1CCN(C)C(=O)C1 ZINC000578019050 335461957 /nfs/dbraw/zinc/46/19/57/335461957.db2.gz IICRIZZGWVZYHH-UHFFFAOYSA-N 1 2 293.327 -1.321 20 0 CAADLO O=C(CN1CC[NH2+]CC1=O)N1CCS(=O)CC1 ZINC000578354020 335618473 /nfs/dbraw/zinc/61/84/73/335618473.db2.gz GYKPBFLGNXFDIR-UHFFFAOYSA-N 1 2 259.331 -1.991 20 0 CAADLO CNS(=O)(=O)NCC(=O)Nc1cc[nH+]cc1C ZINC000578449588 335636176 /nfs/dbraw/zinc/63/61/76/335636176.db2.gz HSENHZMDKMVDKL-UHFFFAOYSA-N 1 2 258.303 -1.196 20 0 CAADLO CN1CCN(CC(O)C[N@@H+]2CCN(C)C(=O)C2)CC1=O ZINC000194542453 336029270 /nfs/dbraw/zinc/02/92/70/336029270.db2.gz MUSMACWNMCTUQA-UHFFFAOYSA-N 1 2 284.360 -2.105 20 0 CAADLO CN1CCN(CC(O)C[N@H+]2CCN(C)C(=O)C2)CC1=O ZINC000194542453 336029271 /nfs/dbraw/zinc/02/92/71/336029271.db2.gz MUSMACWNMCTUQA-UHFFFAOYSA-N 1 2 284.360 -2.105 20 0 CAADLO C[C@@H]1C[C@H]1N1C[C@H](NC(=O)CN2CC[NH2+]CC2=O)CC1=O ZINC000581489531 336088531 /nfs/dbraw/zinc/08/85/31/336088531.db2.gz HQWSFBOYKFJORL-GMTAPVOTSA-N 1 2 294.355 -1.456 20 0 CAADLO C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)CN2CC[NH2+]CC2=O)CC1=O ZINC000581489532 336088574 /nfs/dbraw/zinc/08/85/74/336088574.db2.gz HQWSFBOYKFJORL-MXWKQRLJSA-N 1 2 294.355 -1.456 20 0 CAADLO C[C@@H]1C[C@@H]1N1C[C@@H](NC(=O)CN2CC[NH2+]CC2=O)CC1=O ZINC000581489534 336088590 /nfs/dbraw/zinc/08/85/90/336088590.db2.gz HQWSFBOYKFJORL-VWYCJHECSA-N 1 2 294.355 -1.456 20 0 CAADLO C[C@@H]1C[C@H]1N1C[C@@H](NC(=O)CN2CC[NH2+]CC2=O)CC1=O ZINC000581489533 336088640 /nfs/dbraw/zinc/08/86/40/336088640.db2.gz HQWSFBOYKFJORL-OUAUKWLOSA-N 1 2 294.355 -1.456 20 0 CAADLO O=C(CN1CC[NH2+]CC1=O)NCCCOC[C@@H]1CCOC1 ZINC000581882905 336158664 /nfs/dbraw/zinc/15/86/64/336158664.db2.gz VLIRWIXPDMNLRQ-LBPRGKRZSA-N 1 2 299.371 -1.022 20 0 CAADLO O=C(CN1CC[NH2+]CC1=O)NCCCOC[C@H]1CCOC1 ZINC000581882904 336158714 /nfs/dbraw/zinc/15/87/14/336158714.db2.gz VLIRWIXPDMNLRQ-GFCCVEGCSA-N 1 2 299.371 -1.022 20 0 CAADLO O=C(CN1CC(=O)NC1=O)NCC1([NH+]2CCOCC2)CC1 ZINC000581951156 336175330 /nfs/dbraw/zinc/17/53/30/336175330.db2.gz CUOXROANVVSNJU-UHFFFAOYSA-N 1 2 296.327 -1.481 20 0 CAADLO CCO[C@@H]1C[C@@H](NC(=O)CN2CC[NH2+]CC2=O)[C@H]1OC ZINC000582001839 336188831 /nfs/dbraw/zinc/18/88/31/336188831.db2.gz OJGXNKPPAIAFOO-GIPNMCIBSA-N 1 2 285.344 -1.273 20 0 CAADLO OC[C@@H](O)CNc1cnn(CC[NH+]2CCOCC2)c1 ZINC001252054810 782100674 /nfs/dbraw/zinc/10/06/74/782100674.db2.gz WPGQCMIZYPTGNB-LBPRGKRZSA-N 1 2 270.333 -1.020 20 0 CAADLO C[C@@H](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(N)=O)NC(N)=O ZINC001110562625 782103626 /nfs/dbraw/zinc/10/36/26/782103626.db2.gz XBTRLUVYKVKUGV-JLIMGVALSA-N 1 2 297.359 -1.360 20 0 CAADLO C[C@@H](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(N)=O)NC(N)=O ZINC001110562625 782103628 /nfs/dbraw/zinc/10/36/28/782103628.db2.gz XBTRLUVYKVKUGV-JLIMGVALSA-N 1 2 297.359 -1.360 20 0 CAADLO NC(=O)C[NH2+]C[C@H]1CN(C(=O)Cc2ncn[nH]2)CCCO1 ZINC001201832836 782107446 /nfs/dbraw/zinc/10/74/46/782107446.db2.gz AKMMPKNAYHZHKN-VIFPVBQESA-N 1 2 296.331 -1.960 20 0 CAADLO CNC(=O)c1cnc2n1CC[N@@H+](C[C@H](O)CO)C2 ZINC001252057104 782099814 /nfs/dbraw/zinc/09/98/14/782099814.db2.gz FIOXLFMZZVTRHM-QMMMGPOBSA-N 1 2 254.290 -1.589 20 0 CAADLO CNC(=O)c1cnc2n1CC[N@H+](C[C@H](O)CO)C2 ZINC001252057104 782099826 /nfs/dbraw/zinc/09/98/26/782099826.db2.gz FIOXLFMZZVTRHM-QMMMGPOBSA-N 1 2 254.290 -1.589 20 0 CAADLO NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CO[C@H]1CCOC1)C2 ZINC001110560088 782099899 /nfs/dbraw/zinc/09/98/99/782099899.db2.gz XHYQMQBOKBZLBH-KXNHARMFSA-N 1 2 297.355 -1.001 20 0 CAADLO NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CO[C@H]1CCOC1)C2 ZINC001110560088 782099902 /nfs/dbraw/zinc/09/99/02/782099902.db2.gz XHYQMQBOKBZLBH-KXNHARMFSA-N 1 2 297.355 -1.001 20 0 CAADLO CNS(=O)(=O)CC[NH2+]Cc1cn(CC(N)=O)nn1 ZINC001202051414 782110012 /nfs/dbraw/zinc/11/00/12/782110012.db2.gz ZKHUADKNAFKBQR-UHFFFAOYSA-N 1 2 276.322 -2.598 20 0 CAADLO COC(=O)[C@H](O)C[N@@H+]1CC[C@H](S(C)(=O)=O)C1 ZINC001252422198 782113448 /nfs/dbraw/zinc/11/34/48/782113448.db2.gz SXJWOXBGAHWSLQ-JGVFFNPUSA-N 1 2 251.304 -1.361 20 0 CAADLO COC(=O)[C@H](O)C[N@H+]1CC[C@H](S(C)(=O)=O)C1 ZINC001252422198 782113449 /nfs/dbraw/zinc/11/34/49/782113449.db2.gz SXJWOXBGAHWSLQ-JGVFFNPUSA-N 1 2 251.304 -1.361 20 0 CAADLO COC(=O)[C@@H](O)C[N@@H+]1Cc2ccnn2CC[C@H]1CO ZINC001252424604 782114623 /nfs/dbraw/zinc/11/46/23/782114623.db2.gz VMMVEQRLXOWBEH-QWRGUYRKSA-N 1 2 269.301 -1.016 20 0 CAADLO COC(=O)[C@@H](O)C[N@H+]1Cc2ccnn2CC[C@H]1CO ZINC001252424604 782114629 /nfs/dbraw/zinc/11/46/29/782114629.db2.gz VMMVEQRLXOWBEH-QWRGUYRKSA-N 1 2 269.301 -1.016 20 0 CAADLO Cc1noc(C[NH2+]CCNC(=O)C[C@@H]2CC(=O)NC2=O)n1 ZINC001153882485 782123649 /nfs/dbraw/zinc/12/36/49/782123649.db2.gz HKLGMQFJHJMHNK-MRVPVSSYSA-N 1 2 295.299 -1.363 20 0 CAADLO COC[C@@H](O)C[N@@H+]1CCN(C(C)=O)[C@@H](C(=O)OC)C1 ZINC001252819479 782124124 /nfs/dbraw/zinc/12/41/24/782124124.db2.gz OTWDFSJRTGLCJS-WDEREUQCSA-N 1 2 274.317 -1.301 20 0 CAADLO COC[C@@H](O)C[N@H+]1CCN(C(C)=O)[C@@H](C(=O)OC)C1 ZINC001252819479 782124128 /nfs/dbraw/zinc/12/41/28/782124128.db2.gz OTWDFSJRTGLCJS-WDEREUQCSA-N 1 2 274.317 -1.301 20 0 CAADLO O=C(C[C@@H]1CC(=O)NC1=O)NCC[NH2+]Cc1csnn1 ZINC001153882905 782124267 /nfs/dbraw/zinc/12/42/67/782124267.db2.gz QWAJOLDLGQNZQV-SSDOTTSWSA-N 1 2 297.340 -1.203 20 0 CAADLO C[C@H](NC(N)=O)C(=O)NC/C=C\C[NH2+]Cc1cnon1 ZINC001273980703 782127785 /nfs/dbraw/zinc/12/77/85/782127785.db2.gz ANHYQUCBTJIOID-KZUAUGPASA-N 1 2 282.304 -1.112 20 0 CAADLO CNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1COC(=O)N1)C2 ZINC001095370795 782128617 /nfs/dbraw/zinc/12/86/17/782128617.db2.gz AXGGAZICKFNLPE-KATARQTJSA-N 1 2 296.327 -1.438 20 0 CAADLO CNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1COC(=O)N1)C2 ZINC001095370795 782128624 /nfs/dbraw/zinc/12/86/24/782128624.db2.gz AXGGAZICKFNLPE-KATARQTJSA-N 1 2 296.327 -1.438 20 0 CAADLO Cn1ncc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(N)=O)c1N ZINC001095344155 782129132 /nfs/dbraw/zinc/12/91/32/782129132.db2.gz KKOWAODDFPCHOZ-JEZHCXPESA-N 1 2 292.343 -1.177 20 0 CAADLO Cn1ncc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(N)=O)c1N ZINC001095344155 782129136 /nfs/dbraw/zinc/12/91/36/782129136.db2.gz KKOWAODDFPCHOZ-JEZHCXPESA-N 1 2 292.343 -1.177 20 0 CAADLO CC(=O)N1CC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(N)=O)C1 ZINC001095360112 782129200 /nfs/dbraw/zinc/12/92/00/782129200.db2.gz YBBRVPFTQMLEQQ-WOPDTQHZSA-N 1 2 294.355 -1.329 20 0 CAADLO CC(=O)N1CC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(N)=O)C1 ZINC001095360112 782129208 /nfs/dbraw/zinc/12/92/08/782129208.db2.gz YBBRVPFTQMLEQQ-WOPDTQHZSA-N 1 2 294.355 -1.329 20 0 CAADLO CCNC(=O)CN1C(=O)COCC12C[NH+](C[C@H](C)O)C2 ZINC001274046494 782130244 /nfs/dbraw/zinc/13/02/44/782130244.db2.gz FIFLEQPXHRHVND-JTQLQIEISA-N 1 2 285.344 -1.584 20 0 CAADLO COC(=O)CCNC(=O)C[N@H+]1CCCNC(=O)C1 ZINC000726791431 582113659 /nfs/dbraw/zinc/11/36/59/582113659.db2.gz QVUWOJFFYXWZOQ-UHFFFAOYSA-N 1 2 257.290 -1.512 20 0 CAADLO C[C@H]1C[N@H+](CCNC(=S)NCC(N)=O)CCO1 ZINC000727083782 582115008 /nfs/dbraw/zinc/11/50/08/582115008.db2.gz ACLDFNBLYUFBCB-QMMMGPOBSA-N 1 2 260.363 -1.344 20 0 CAADLO C[C@H]1C[N@@H+](CCNC(=S)NCC(N)=O)CCO1 ZINC000727083782 582115009 /nfs/dbraw/zinc/11/50/09/582115009.db2.gz ACLDFNBLYUFBCB-QMMMGPOBSA-N 1 2 260.363 -1.344 20 0 CAADLO Cc1nonc1C[NH2+]C/C=C/CNC(=O)Cn1ncnn1 ZINC001274027313 782130593 /nfs/dbraw/zinc/13/05/93/782130593.db2.gz VSADZIIFFUDISW-NSCUHMNNSA-N 1 2 292.303 -1.173 20 0 CAADLO CCNC(=O)CN1C(=O)COCC12C[NH+](C[C@@H](C)O)C2 ZINC001274046498 782131400 /nfs/dbraw/zinc/13/14/00/782131400.db2.gz FIFLEQPXHRHVND-SNVBAGLBSA-N 1 2 285.344 -1.584 20 0 CAADLO CC[C@@H](C(N)=O)N1C(=O)COCC12C[NH+](C[C@@H](C)O)C2 ZINC001274046809 782132595 /nfs/dbraw/zinc/13/25/95/782132595.db2.gz IEZUGYPKMOWVLJ-ZJUUUORDSA-N 1 2 285.344 -1.456 20 0 CAADLO C[C@@H](O)C[NH+]1CC2(C1)COCC(=O)N2Cc1nncn1C ZINC001274051450 782132629 /nfs/dbraw/zinc/13/26/29/782132629.db2.gz GFGYSDAGBKPYNQ-SNVBAGLBSA-N 1 2 295.343 -1.391 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@@]12CCN(C[C@@H]1CCC(=O)N1)C2=O ZINC001274061637 782133602 /nfs/dbraw/zinc/13/36/02/782133602.db2.gz KHEACCMLPCUVDC-HZMBPMFUSA-N 1 2 294.355 -1.183 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@@]12CCN(C[C@@H]1CCC(=O)N1)C2=O ZINC001274061637 782133605 /nfs/dbraw/zinc/13/36/05/782133605.db2.gz KHEACCMLPCUVDC-HZMBPMFUSA-N 1 2 294.355 -1.183 20 0 CAADLO CCNC(=O)CN1C[C@@]2(CC[N@H+](CC(N)=O)C2)OCC1=O ZINC001274062717 782133616 /nfs/dbraw/zinc/13/36/16/782133616.db2.gz VYMYIZDKTFFYHA-ZDUSSCGKSA-N 1 2 298.343 -2.089 20 0 CAADLO CCNC(=O)CN1C[C@@]2(CC[N@@H+](CC(N)=O)C2)OCC1=O ZINC001274062717 782133623 /nfs/dbraw/zinc/13/36/23/782133623.db2.gz VYMYIZDKTFFYHA-ZDUSSCGKSA-N 1 2 298.343 -2.089 20 0 CAADLO CC[C@@H](C(N)=O)N1C[C@]2(CC[N@H+](CC(N)=O)C2)OCC1=O ZINC001274062749 782133746 /nfs/dbraw/zinc/13/37/46/782133746.db2.gz WYIJKQALLGSJKS-TVQRCGJNSA-N 1 2 298.343 -1.961 20 0 CAADLO CC[C@@H](C(N)=O)N1C[C@]2(CC[N@@H+](CC(N)=O)C2)OCC1=O ZINC001274062749 782133750 /nfs/dbraw/zinc/13/37/50/782133750.db2.gz WYIJKQALLGSJKS-TVQRCGJNSA-N 1 2 298.343 -1.961 20 0 CAADLO Cn1cnnc1CN1CC[C@]2(CCC[N@@H+]2CC(N)=O)C1=O ZINC001274061318 782133823 /nfs/dbraw/zinc/13/38/23/782133823.db2.gz GXEJTPKVKGMWBO-CYBMUJFWSA-N 1 2 292.343 -1.133 20 0 CAADLO Cn1cnnc1CN1CC[C@]2(CCC[N@H+]2CC(N)=O)C1=O ZINC001274061318 782133829 /nfs/dbraw/zinc/13/38/29/782133829.db2.gz GXEJTPKVKGMWBO-CYBMUJFWSA-N 1 2 292.343 -1.133 20 0 CAADLO CC[C@H](C(N)=O)N1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2CC(N)=O ZINC001274062860 782134296 /nfs/dbraw/zinc/13/42/96/782134296.db2.gz ZIWJQOXGUPUJAX-OPRDCNLKSA-N 1 2 282.344 -1.199 20 0 CAADLO CC[C@H](C(N)=O)N1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2CC(N)=O ZINC001274062860 782134304 /nfs/dbraw/zinc/13/43/04/782134304.db2.gz ZIWJQOXGUPUJAX-OPRDCNLKSA-N 1 2 282.344 -1.199 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@]2(C1)CN(C1COC1)C(=O)CO2 ZINC001274062620 782134341 /nfs/dbraw/zinc/13/43/41/782134341.db2.gz ZHCAVTJCOAKDTD-GFCCVEGCSA-N 1 2 269.301 -1.826 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@]2(C1)CN(C1COC1)C(=O)CO2 ZINC001274062620 782134352 /nfs/dbraw/zinc/13/43/52/782134352.db2.gz ZHCAVTJCOAKDTD-GFCCVEGCSA-N 1 2 269.301 -1.826 20 0 CAADLO CCNC(=O)CN1C[C@]2(CC[N@H+](CC(N)=O)C2)OCC1=O ZINC001274062716 782135004 /nfs/dbraw/zinc/13/50/04/782135004.db2.gz VYMYIZDKTFFYHA-CYBMUJFWSA-N 1 2 298.343 -2.089 20 0 CAADLO CCNC(=O)CN1C[C@]2(CC[N@@H+](CC(N)=O)C2)OCC1=O ZINC001274062716 782135011 /nfs/dbraw/zinc/13/50/11/782135011.db2.gz VYMYIZDKTFFYHA-CYBMUJFWSA-N 1 2 298.343 -2.089 20 0 CAADLO CCNC(=O)CN1CC[C@@]2(CCC[N@H+]2CC(=O)NC)C1=O ZINC001274073221 782135582 /nfs/dbraw/zinc/13/55/82/782135582.db2.gz JRLOIKRVBCDWLJ-AWEZNQCLSA-N 1 2 296.371 -1.065 20 0 CAADLO CC[C@H](C(N)=O)N1CC2(C[NH+](C[C@H](C)CO)C2)OCC1=O ZINC001274068160 782135459 /nfs/dbraw/zinc/13/54/59/782135459.db2.gz BSXHTXLYWIAJPN-WDEREUQCSA-N 1 2 299.371 -1.208 20 0 CAADLO CCNC(=O)CN1CC[C@]2(CCC[N@@H+]2CC(=O)NC)C1=O ZINC001274073223 782135551 /nfs/dbraw/zinc/13/55/51/782135551.db2.gz JRLOIKRVBCDWLJ-CQSZACIVSA-N 1 2 296.371 -1.065 20 0 CAADLO CCNC(=O)CN1CC[C@]2(CCC[N@H+]2CC(=O)NC)C1=O ZINC001274073223 782135555 /nfs/dbraw/zinc/13/55/55/782135555.db2.gz JRLOIKRVBCDWLJ-CQSZACIVSA-N 1 2 296.371 -1.065 20 0 CAADLO CCNC(=O)CN1CC[C@@]2(CCC[N@@H+]2CC(=O)NC)C1=O ZINC001274073221 782135577 /nfs/dbraw/zinc/13/55/77/782135577.db2.gz JRLOIKRVBCDWLJ-AWEZNQCLSA-N 1 2 296.371 -1.065 20 0 CAADLO CC[C@@H](C(N)=O)N1C(=O)COCC12C[NH+](C[C@H](C)CO)C2 ZINC001274069053 782135701 /nfs/dbraw/zinc/13/57/01/782135701.db2.gz SIXNAUWVOFQYLP-QWRGUYRKSA-N 1 2 299.371 -1.208 20 0 CAADLO CCNC(=O)CN1CC2(C[NH+](C[C@H](C)CO)C2)OCC1=O ZINC001274068976 782135788 /nfs/dbraw/zinc/13/57/88/782135788.db2.gz QQKIVKGBEYOTEB-NSHDSACASA-N 1 2 299.371 -1.336 20 0 CAADLO CCNS(=O)(=O)[C@H]1CC[N@H+](CCS(N)(=O)=O)C1 ZINC000771466208 582152658 /nfs/dbraw/zinc/15/26/58/582152658.db2.gz FZNREGXAKVYMIQ-QMMMGPOBSA-N 1 2 285.391 -1.712 20 0 CAADLO CCNS(=O)(=O)[C@H]1CC[N@@H+](CCS(N)(=O)=O)C1 ZINC000771466208 582152660 /nfs/dbraw/zinc/15/26/60/582152660.db2.gz FZNREGXAKVYMIQ-QMMMGPOBSA-N 1 2 285.391 -1.712 20 0 CAADLO CON(C)C(=O)C[N@@H+](C)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000794801561 582165148 /nfs/dbraw/zinc/16/51/48/582165148.db2.gz HMQWAPMRYRWBQN-SECBINFHSA-N 1 2 279.362 -1.028 20 0 CAADLO NC(=O)CC(=O)N[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001295082262 782136750 /nfs/dbraw/zinc/13/67/50/782136750.db2.gz AZTKJAJWOYBJGZ-QMMMGPOBSA-N 1 2 279.300 -1.455 20 0 CAADLO CN1C(=O)COCC12C[NH+](Cc1c[nH]c(=O)[nH]c1=O)C2 ZINC001274175159 782137328 /nfs/dbraw/zinc/13/73/28/782137328.db2.gz XVUONJYASCGEGR-UHFFFAOYSA-N 1 2 280.284 -1.069 20 0 CAADLO Cc1[nH]c(CNC(=O)Cn2nnc(N)n2)[nH+]c1C ZINC001137261043 782138244 /nfs/dbraw/zinc/13/82/44/782138244.db2.gz WTXWNRJIRSKTQW-UHFFFAOYSA-N 1 2 250.266 -1.088 20 0 CAADLO Cc1nnc(CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(N)=O)[nH]1 ZINC001095397244 782139370 /nfs/dbraw/zinc/13/93/70/782139370.db2.gz HFRXCTINWIKUAH-UTLUCORTSA-N 1 2 292.343 -1.138 20 0 CAADLO Cc1nnc(CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(N)=O)[nH]1 ZINC001095397244 782139373 /nfs/dbraw/zinc/13/93/73/782139373.db2.gz HFRXCTINWIKUAH-UTLUCORTSA-N 1 2 292.343 -1.138 20 0 CAADLO Cn1nnc(C[NH2+]CCCNC(=O)c2ccc(=O)[nH]n2)n1 ZINC001154390634 782139439 /nfs/dbraw/zinc/13/94/39/782139439.db2.gz LUQVZIISPBHSFW-UHFFFAOYSA-N 1 2 292.303 -1.385 20 0 CAADLO C[C@H](CNC(=O)C(N)=O)NC(=O)Cc1[nH]cc[nH+]1 ZINC001295635476 782145197 /nfs/dbraw/zinc/14/51/97/782145197.db2.gz XHINBESJDROVTA-ZCFIWIBFSA-N 1 2 253.262 -1.942 20 0 CAADLO NC(=O)C(=O)NC/C=C\C[NH2+]Cc1nncs1 ZINC001274326271 782143556 /nfs/dbraw/zinc/14/35/56/782143556.db2.gz UIQZVEDWHGBOGO-UPHRSURJSA-N 1 2 255.303 -1.215 20 0 CAADLO C[C@@H]([NH2+]C/C=C\CNC(=O)C(N)=O)c1nnnn1C1CC1 ZINC001274326329 782143968 /nfs/dbraw/zinc/14/39/68/782143968.db2.gz VFCOCOLIPSMRQL-YAJNLLPGSA-N 1 2 293.331 -1.184 20 0 CAADLO NC(=O)C1=NO[C@@H]2CN(C(=O)Cc3cc[nH+]c(N)c3)C[C@H]12 ZINC001274316037 782144241 /nfs/dbraw/zinc/14/42/41/782144241.db2.gz ZKRZEVSRSMPZAB-DTWKUNHWSA-N 1 2 289.295 -1.095 20 0 CAADLO C[C@H]([NH2+]C/C=C\CNC(=O)C(N)=O)c1nnnn1C ZINC001274326482 782145212 /nfs/dbraw/zinc/14/52/12/782145212.db2.gz XSBOGHKARPZZNJ-AVALRIAPSA-N 1 2 267.293 -1.982 20 0 CAADLO Cc1nonc1C[NH2+]CC=CCNC(=O)[C@H]1CNC(=O)N1 ZINC001274326600 782145465 /nfs/dbraw/zinc/14/54/65/782145465.db2.gz ZXZWNISOOFLBCJ-MXQLGCADSA-N 1 2 294.315 -1.179 20 0 CAADLO C[C@H]([NH2+]C/C=C/CNC(=O)C(N)=O)c1nnnn1C ZINC001274326485 782145489 /nfs/dbraw/zinc/14/54/89/782145489.db2.gz XSBOGHKARPZZNJ-SDLBARTOSA-N 1 2 267.293 -1.982 20 0 CAADLO Cc1nonc1C[NH2+]CC=CCNC(=O)[C@@H]1CNC(=O)N1 ZINC001274326601 782145721 /nfs/dbraw/zinc/14/57/21/782145721.db2.gz ZXZWNISOOFLBCJ-PBKGFPTLSA-N 1 2 294.315 -1.179 20 0 CAADLO Cn1cc(C(=O)N2C[C@@H]3OCC[N@H+](C)[C@H]3C2)c(=O)[nH]c1=O ZINC001274414567 782145744 /nfs/dbraw/zinc/14/57/44/782145744.db2.gz DPFOATVPPLSXLG-UWVGGRQHSA-N 1 2 294.311 -1.359 20 0 CAADLO Cn1cc(C(=O)N2C[C@@H]3OCC[N@@H+](C)[C@H]3C2)c(=O)[nH]c1=O ZINC001274414567 782145752 /nfs/dbraw/zinc/14/57/52/782145752.db2.gz DPFOATVPPLSXLG-UWVGGRQHSA-N 1 2 294.311 -1.359 20 0 CAADLO Cn1[nH]c(C[NH2+]CC=CCNC(=O)c2nnc[nH]2)nc1=O ZINC001274448415 782146388 /nfs/dbraw/zinc/14/63/88/782146388.db2.gz PBIIFPSCVIAFGA-IHWYPQMZSA-N 1 2 292.303 -1.698 20 0 CAADLO C[C@@H](CNC(=O)C(N)=O)NC(=O)Cc1[nH]cc[nH+]1 ZINC001295635468 782145318 /nfs/dbraw/zinc/14/53/18/782145318.db2.gz XHINBESJDROVTA-LURJTMIESA-N 1 2 253.262 -1.942 20 0 CAADLO CN(C)C(=O)C[NH2+]CC=CCNC(=O)c1nnc[nH]1 ZINC001274448431 782148102 /nfs/dbraw/zinc/14/81/02/782148102.db2.gz PIGIMOUWDPALGM-ARJAWSKDSA-N 1 2 266.305 -1.232 20 0 CAADLO CN(C)C(=O)C[NH2+]CC=CCNC(=O)c1ncn[nH]1 ZINC001274448431 782148113 /nfs/dbraw/zinc/14/81/13/782148113.db2.gz PIGIMOUWDPALGM-ARJAWSKDSA-N 1 2 266.305 -1.232 20 0 CAADLO CN(C)C(=O)C[NH2+]CC=CCNC(=O)c1nc[nH]n1 ZINC001274448431 782148121 /nfs/dbraw/zinc/14/81/21/782148121.db2.gz PIGIMOUWDPALGM-ARJAWSKDSA-N 1 2 266.305 -1.232 20 0 CAADLO CN(C)C(=O)C[NH2+]CC=CCNC(=O)c1nnc[nH]1 ZINC001274448432 782148132 /nfs/dbraw/zinc/14/81/32/782148132.db2.gz PIGIMOUWDPALGM-ONEGZZNKSA-N 1 2 266.305 -1.232 20 0 CAADLO CN(C)C(=O)C[NH2+]CC=CCNC(=O)c1ncn[nH]1 ZINC001274448432 782148141 /nfs/dbraw/zinc/14/81/41/782148141.db2.gz PIGIMOUWDPALGM-ONEGZZNKSA-N 1 2 266.305 -1.232 20 0 CAADLO CN(C)C(=O)C[NH2+]CC=CCNC(=O)c1nc[nH]n1 ZINC001274448432 782148150 /nfs/dbraw/zinc/14/81/50/782148150.db2.gz PIGIMOUWDPALGM-ONEGZZNKSA-N 1 2 266.305 -1.232 20 0 CAADLO NC(=O)C[NH2+]C/C=C/CNC(=O)CCn1cnnn1 ZINC001274465050 782148279 /nfs/dbraw/zinc/14/82/79/782148279.db2.gz UCZRESYPZDEMMV-OWOJBTEDSA-N 1 2 267.293 -2.190 20 0 CAADLO CC(C)(C)[C@@H](NC(N)=O)C(=O)NC/C=C\C[NH2+]CC(N)=O ZINC001274499620 782148452 /nfs/dbraw/zinc/14/84/52/782148452.db2.gz WXJSPHCJRPYTPP-LWTINBJPSA-N 1 2 299.375 -1.183 20 0 CAADLO CC(=O)N1CCC(O)(C[NH2+]CCN2C(=O)CNC2=O)CC1 ZINC001274487311 782148491 /nfs/dbraw/zinc/14/84/91/782148491.db2.gz OHNJANIPJFMIBU-UHFFFAOYSA-N 1 2 298.343 -1.499 20 0 CAADLO CC(C)(C)[C@H](NC(N)=O)C(=O)NC/C=C\C[NH2+]CC(N)=O ZINC001274499622 782148616 /nfs/dbraw/zinc/14/86/16/782148616.db2.gz WXJSPHCJRPYTPP-UMCURTJPSA-N 1 2 299.375 -1.183 20 0 CAADLO C[C@H](O)C[NH2+]C/C=C\CNC(=O)CCn1cnnn1 ZINC001274464888 782148574 /nfs/dbraw/zinc/14/85/74/782148574.db2.gz RGNQNAYPRINDJX-ZMWSMAPVSA-N 1 2 268.321 -1.294 20 0 CAADLO Cn1ncnc1C[NH2+]C/C=C\CNC(=O)CCNC(N)=O ZINC001274558480 782149341 /nfs/dbraw/zinc/14/93/41/782149341.db2.gz AJFPPDFLRSKVCQ-IHWYPQMZSA-N 1 2 295.347 -1.365 20 0 CAADLO C[C@@H]1OCC[C@H]1C(=O)NC/C=C/C[NH2+]CC(=O)NC(N)=O ZINC001274463729 782148683 /nfs/dbraw/zinc/14/86/83/782148683.db2.gz IKACGYLHROFSJZ-MDCNRGEUSA-N 1 2 298.343 -1.132 20 0 CAADLO O=C1COCC2(C[NH+](C[C@H](O)CO)C2)N1C1COC1 ZINC001274571066 782151653 /nfs/dbraw/zinc/15/16/53/782151653.db2.gz GGDFNDSUAUYNPG-JTQLQIEISA-N 1 2 272.301 -2.348 20 0 CAADLO CC[C@@H](O)C[NH+]1CC2(C1)CN([C@@H](CC)C(N)=O)C(=O)CO2 ZINC001274553563 782150273 /nfs/dbraw/zinc/15/02/73/782150273.db2.gz UVXMKXBWKAJYIZ-MNOVXSKESA-N 1 2 299.371 -1.066 20 0 CAADLO CC[C@@H](C(N)=O)N1CC2(C[NH+](CC(C)(C)O)C2)OCC1=O ZINC001274592545 782152720 /nfs/dbraw/zinc/15/27/20/782152720.db2.gz ALVGYSAWHOTVMV-JTQLQIEISA-N 1 2 299.371 -1.066 20 0 CAADLO CC[C@H](C(N)=O)N1C(=O)COCC12C[NH+](CC(C)(C)O)C2 ZINC001274593196 782153383 /nfs/dbraw/zinc/15/33/83/782153383.db2.gz KCWCFEURUJPLDH-SNVBAGLBSA-N 1 2 299.371 -1.066 20 0 CAADLO CCONC(=O)CNC(=O)NCC[N@H+](C)CCOC ZINC000845549248 582219177 /nfs/dbraw/zinc/21/91/77/582219177.db2.gz TYHHIJAYYLGIKV-UHFFFAOYSA-N 1 2 276.337 -1.069 20 0 CAADLO CCONC(=O)CNC(=O)NCC[N@@H+](C)CCOC ZINC000845549248 582219178 /nfs/dbraw/zinc/21/91/78/582219178.db2.gz TYHHIJAYYLGIKV-UHFFFAOYSA-N 1 2 276.337 -1.069 20 0 CAADLO NS(=O)(=O)N1CC[NH+](CCc2cn[nH]n2)CC1 ZINC000851766512 582229696 /nfs/dbraw/zinc/22/96/96/582229696.db2.gz FRLASPMWWBQYME-UHFFFAOYSA-N 1 2 260.323 -1.832 20 0 CAADLO NS(=O)(=O)N1CC[NH+](CCc2c[nH]nn2)CC1 ZINC000851766512 582229697 /nfs/dbraw/zinc/22/96/97/582229697.db2.gz FRLASPMWWBQYME-UHFFFAOYSA-N 1 2 260.323 -1.832 20 0 CAADLO C[N@@H+]1CC[C@@](O)(CNS(=O)(=O)N=S(C)(C)=O)C1 ZINC000867108408 582209971 /nfs/dbraw/zinc/20/99/71/582209971.db2.gz PLTJCQOKFDMYMZ-MRVPVSSYSA-N 1 2 285.391 -1.385 20 0 CAADLO C[N@H+]1CC[C@@](O)(CNS(=O)(=O)N=S(C)(C)=O)C1 ZINC000867108408 582209972 /nfs/dbraw/zinc/20/99/72/582209972.db2.gz PLTJCQOKFDMYMZ-MRVPVSSYSA-N 1 2 285.391 -1.385 20 0 CAADLO C[C@@H]1[C@H](C)S(=O)(=O)CCN1C(=O)[C@@H](N)C[NH+](C)C ZINC000876673424 582262868 /nfs/dbraw/zinc/26/28/68/582262868.db2.gz NCKVIRFWUXUPFD-UTLUCORTSA-N 1 2 277.390 -1.091 20 0 CAADLO C[NH+](C)C[C@H](N)C(=O)N(CCS(C)(=O)=O)C1CC1 ZINC000876892493 582263608 /nfs/dbraw/zinc/26/36/08/582263608.db2.gz QDEUSKBQTWSMAP-JTQLQIEISA-N 1 2 277.390 -1.089 20 0 CAADLO COCC[N@H+](CCn1cnnn1)CC(=O)N(C)C ZINC000877969139 582265596 /nfs/dbraw/zinc/26/55/96/582265596.db2.gz UTFVOAAMAMCXAM-UHFFFAOYSA-N 1 2 256.310 -1.290 20 0 CAADLO COCC[N@@H+](CCn1cnnn1)CC(=O)N(C)C ZINC000877969139 582265597 /nfs/dbraw/zinc/26/55/97/582265597.db2.gz UTFVOAAMAMCXAM-UHFFFAOYSA-N 1 2 256.310 -1.290 20 0 CAADLO C[C@@](O)(C[NH+]1CCN(S(N)(=O)=O)CC1)C(F)F ZINC000886005598 582278199 /nfs/dbraw/zinc/27/81/99/582278199.db2.gz FMERASGVRZDAAL-MRVPVSSYSA-N 1 2 273.305 -1.176 20 0 CAADLO CCNC(=O)[C@H]([NH2+]Cc1nc(N)nc(N)n1)C(C)C ZINC000339320647 521746866 /nfs/dbraw/zinc/74/68/66/521746866.db2.gz YMIBGDHPXNJDFQ-MRVPVSSYSA-N 1 2 267.337 -1.053 20 0 CAADLO COC[C@@H](C(N)=O)[N@@H+](C)CCN1C(=O)NC(C)(C)C1=O ZINC000339360029 522163450 /nfs/dbraw/zinc/16/34/50/522163450.db2.gz HBVIKEGECOLOBH-QMMMGPOBSA-N 1 2 286.332 -1.251 20 0 CAADLO COC(=O)Cn1cc(CC[N@@H+]2CCNC(=O)[C@@H]2C)nn1 ZINC000158131913 533787818 /nfs/dbraw/zinc/78/78/18/533787818.db2.gz LFMFRBVWUVXBGZ-VIFPVBQESA-N 1 2 281.316 -1.186 20 0 CAADLO COC(=O)Cn1cc(CC[N@H+]2CCNC(=O)[C@@H]2C)nn1 ZINC000158131913 533787828 /nfs/dbraw/zinc/78/78/28/533787828.db2.gz LFMFRBVWUVXBGZ-VIFPVBQESA-N 1 2 281.316 -1.186 20 0 CAADLO C[C@H]1CN(C(=O)C(=O)Nc2cnn(C)c2)CC[N@@H+]1CCO ZINC000427406776 533819633 /nfs/dbraw/zinc/81/96/33/533819633.db2.gz VNTVJLOCOVHUBJ-JTQLQIEISA-N 1 2 295.343 -1.116 20 0 CAADLO C[C@H]1CN(C(=O)C(=O)Nc2cnn(C)c2)CC[N@H+]1CCO ZINC000427406776 533819641 /nfs/dbraw/zinc/81/96/41/533819641.db2.gz VNTVJLOCOVHUBJ-JTQLQIEISA-N 1 2 295.343 -1.116 20 0 CAADLO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)[C@H]1COC(=O)N1 ZINC000495795168 533840958 /nfs/dbraw/zinc/84/09/58/533840958.db2.gz XBXJSKCCBLUDNM-VHSXEESVSA-N 1 2 270.333 -1.153 20 0 CAADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)Cn1cn[nH]c1=O ZINC000180531401 533860217 /nfs/dbraw/zinc/86/02/17/533860217.db2.gz CRPOJOLTXMHKKR-VIFPVBQESA-N 1 2 269.305 -1.592 20 0 CAADLO COC[C@H](C(N)=O)[N@H+](C)CCN1C(=O)NC(C)(C)C1=O ZINC000339360026 522540796 /nfs/dbraw/zinc/54/07/96/522540796.db2.gz HBVIKEGECOLOBH-MRVPVSSYSA-N 1 2 286.332 -1.251 20 0 CAADLO COC[C@H](C(N)=O)[N@@H+](C)CCN1C(=O)NC(C)(C)C1=O ZINC000339360026 522540800 /nfs/dbraw/zinc/54/08/00/522540800.db2.gz HBVIKEGECOLOBH-MRVPVSSYSA-N 1 2 286.332 -1.251 20 0 CAADLO COC(=O)N1CC(NC(=O)NC[C@@H]2CN(C)CC[N@@H+]2C)C1 ZINC000492389176 533913756 /nfs/dbraw/zinc/91/37/56/533913756.db2.gz BQQGOTNXEZVZLH-LLVKDONJSA-N 1 2 299.375 -1.018 20 0 CAADLO COC(=O)N1CC(NC(=O)NC[C@@H]2CN(C)CC[N@H+]2C)C1 ZINC000492389176 533913770 /nfs/dbraw/zinc/91/37/70/533913770.db2.gz BQQGOTNXEZVZLH-LLVKDONJSA-N 1 2 299.375 -1.018 20 0 CAADLO C[C@@H](CNC(=O)Cn1cn[nH]c1=O)[NH+]1CCOCC1 ZINC000180524272 533909680 /nfs/dbraw/zinc/90/96/80/533909680.db2.gz VPMJXZXIWFSDJP-VIFPVBQESA-N 1 2 269.305 -1.592 20 0 CAADLO COC(=O)N1CC(NC(=O)NC[C@H]2CN(C)CC[N@@H+]2C)C1 ZINC000492389177 533916029 /nfs/dbraw/zinc/91/60/29/533916029.db2.gz BQQGOTNXEZVZLH-NSHDSACASA-N 1 2 299.375 -1.018 20 0 CAADLO COC(=O)N1CC(NC(=O)NC[C@H]2CN(C)CC[N@H+]2C)C1 ZINC000492389177 533916038 /nfs/dbraw/zinc/91/60/38/533916038.db2.gz BQQGOTNXEZVZLH-NSHDSACASA-N 1 2 299.375 -1.018 20 0 CAADLO C[C@@H](CNC(=O)N1CCNC(=O)C1)[NH+]1CCOCC1 ZINC000194448456 533928114 /nfs/dbraw/zinc/92/81/14/533928114.db2.gz LOQPYXDOZURIBS-JTQLQIEISA-N 1 2 270.333 -1.152 20 0 CAADLO COC(=O)N1CCC(NC(=O)CN2CC[NH2+]CC2=O)CC1 ZINC000497071974 533942388 /nfs/dbraw/zinc/94/23/88/533942388.db2.gz MJLCRPJNETXNBV-UHFFFAOYSA-N 1 2 298.343 -1.235 20 0 CAADLO C[C@@H](CNC(=O)NCCC(N)=O)[NH+]1CCOCC1 ZINC000193208982 533948702 /nfs/dbraw/zinc/94/87/02/533948702.db2.gz YTMHBXASFPEPPD-VIFPVBQESA-N 1 2 258.322 -1.118 20 0 CAADLO COC(=O)NCC(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000493203970 534022464 /nfs/dbraw/zinc/02/24/64/534022464.db2.gz ZOLTZODHHAANKQ-SNVBAGLBSA-N 1 2 289.332 -1.506 20 0 CAADLO C[C@@H]1CC[N@H+](CC(=O)N2CCNC(=O)C2)[C@H](C(N)=O)C1 ZINC000187402053 534026063 /nfs/dbraw/zinc/02/60/63/534026063.db2.gz HBHFJNDHBODHKE-ZJUUUORDSA-N 1 2 282.344 -1.469 20 0 CAADLO C[C@@H]1CC[N@@H+](CC(=O)N2CCNC(=O)C2)[C@H](C(N)=O)C1 ZINC000187402053 534026070 /nfs/dbraw/zinc/02/60/70/534026070.db2.gz HBHFJNDHBODHKE-ZJUUUORDSA-N 1 2 282.344 -1.469 20 0 CAADLO COC(=O)NCC(=O)N1CC[NH+](CCn2cncn2)CC1 ZINC000491898610 534028150 /nfs/dbraw/zinc/02/81/50/534028150.db2.gz OKFYUHXYGWUDHD-UHFFFAOYSA-N 1 2 296.331 -1.222 20 0 CAADLO COC(=O)NCC(=O)N1C[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000493403960 534032179 /nfs/dbraw/zinc/03/21/79/534032179.db2.gz ANCCNCMECCXWCL-IUCAKERBSA-N 1 2 257.290 -1.116 20 0 CAADLO COC(=O)NCC(=O)N1C[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000493403960 534032181 /nfs/dbraw/zinc/03/21/81/534032181.db2.gz ANCCNCMECCXWCL-IUCAKERBSA-N 1 2 257.290 -1.116 20 0 CAADLO C[C@H](O)C(=O)N1CC[NH+](C[C@@H]2CN(C)C(=O)O2)CC1 ZINC000495596488 534038331 /nfs/dbraw/zinc/03/83/31/534038331.db2.gz RQMADNDMNXCONG-UWVGGRQHSA-N 1 2 271.317 -1.038 20 0 CAADLO C[C@H](O)C(=O)N1CC[NH+]([C@H]2CCN(C)C2=O)CC1 ZINC000153187820 534041662 /nfs/dbraw/zinc/04/16/62/534041662.db2.gz VGQDFBRIZROFEE-UWVGGRQHSA-N 1 2 255.318 -1.258 20 0 CAADLO COC(=O)NCCC(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000178630652 534069007 /nfs/dbraw/zinc/06/90/07/534069007.db2.gz SOVLNIWZAQLPPQ-JTQLQIEISA-N 1 2 270.333 -1.152 20 0 CAADLO C[C@H](CNC(=O)N1CCNC(=O)C1)[NH+]1CCOCC1 ZINC000194448471 534090378 /nfs/dbraw/zinc/09/03/78/534090378.db2.gz LOQPYXDOZURIBS-SNVBAGLBSA-N 1 2 270.333 -1.152 20 0 CAADLO C[C@@H](CO)NC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000343173461 534132648 /nfs/dbraw/zinc/13/26/48/534132648.db2.gz MIEKZMNMTMUMMC-NWDGAFQWSA-N 1 2 299.371 -1.336 20 0 CAADLO C[C@@H]1OC(=O)N[C@H]1C(=O)N1CC[NH+](CCO)CC1 ZINC000496461514 534142619 /nfs/dbraw/zinc/14/26/19/534142619.db2.gz OCTXKZNWGXRGCG-DTWKUNHWSA-N 1 2 257.290 -1.380 20 0 CAADLO COC(=O)N[C@@H](C)C(=O)N1CC[NH+](CCO)CC1 ZINC000494072375 534145732 /nfs/dbraw/zinc/14/57/32/534145732.db2.gz NOFBVQAVXMZEQT-VIFPVBQESA-N 1 2 259.306 -1.133 20 0 CAADLO C[C@H]1[C@H](N2CCOCC2)CC[N@@H+]1Cc1nc(N)nc(N)n1 ZINC000351980873 534150304 /nfs/dbraw/zinc/15/03/04/534150304.db2.gz FTMJVJSTQOPVMZ-VHSXEESVSA-N 1 2 293.375 -1.008 20 0 CAADLO C[C@H]1[C@H](N2CCOCC2)CC[N@H+]1Cc1nc(N)nc(N)n1 ZINC000351980873 534150310 /nfs/dbraw/zinc/15/03/10/534150310.db2.gz FTMJVJSTQOPVMZ-VHSXEESVSA-N 1 2 293.375 -1.008 20 0 CAADLO C[C@H]1C(=O)N(C)CCN1C[C@H](O)C[NH+]1CCOCC1 ZINC000187037879 534160475 /nfs/dbraw/zinc/16/04/75/534160475.db2.gz DQHOJGBBLLAUAB-NWDGAFQWSA-N 1 2 271.361 -1.158 20 0 CAADLO C[C@H]1C(=O)N(C)CC[N@H+]1C[C@H](O)CN1CCOCC1 ZINC000187037879 534160484 /nfs/dbraw/zinc/16/04/84/534160484.db2.gz DQHOJGBBLLAUAB-NWDGAFQWSA-N 1 2 271.361 -1.158 20 0 CAADLO C[C@H]1C(=O)N(C)CC[N@@H+]1C[C@H](O)CN1CCOCC1 ZINC000187037879 534160486 /nfs/dbraw/zinc/16/04/86/534160486.db2.gz DQHOJGBBLLAUAB-NWDGAFQWSA-N 1 2 271.361 -1.158 20 0 CAADLO C[C@@H]1[C@@H](CO)CCN1C(=O)C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000358136032 534239108 /nfs/dbraw/zinc/23/91/08/534239108.db2.gz CVFSOXVENFNCCB-UTUOFQBUSA-N 1 2 299.371 -1.338 20 0 CAADLO C[C@@H]1[C@@H](CO)CCN1C(=O)C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000358136032 534239109 /nfs/dbraw/zinc/23/91/09/534239109.db2.gz CVFSOXVENFNCCB-UTUOFQBUSA-N 1 2 299.371 -1.338 20 0 CAADLO C[C@@H]1[C@H](N2CCOCC2)CC[N@@H+]1Cc1nc(N)nc(N)n1 ZINC000351980871 534257048 /nfs/dbraw/zinc/25/70/48/534257048.db2.gz FTMJVJSTQOPVMZ-NXEZZACHSA-N 1 2 293.375 -1.008 20 0 CAADLO C[C@@H]1[C@H](N2CCOCC2)CC[N@H+]1Cc1nc(N)nc(N)n1 ZINC000351980871 534257052 /nfs/dbraw/zinc/25/70/52/534257052.db2.gz FTMJVJSTQOPVMZ-NXEZZACHSA-N 1 2 293.375 -1.008 20 0 CAADLO COC(=O)[C@@H](NC(=O)C[N@@H+]1C[C@@H](O)[C@H](OC)C1)C(C)C ZINC000451756573 534270991 /nfs/dbraw/zinc/27/09/91/534270991.db2.gz GUMOCUAPFFBFFM-FOGDFJRCSA-N 1 2 288.344 -1.008 20 0 CAADLO COC(=O)[C@@H](NC(=O)C[N@H+]1C[C@@H](O)[C@H](OC)C1)C(C)C ZINC000451756573 534270995 /nfs/dbraw/zinc/27/09/95/534270995.db2.gz GUMOCUAPFFBFFM-FOGDFJRCSA-N 1 2 288.344 -1.008 20 0 CAADLO COC(=O)c1cccc(NC(=O)C[NH+]2C[C@H](O)[C@@H](O)C2)n1 ZINC000444694016 534271601 /nfs/dbraw/zinc/27/16/01/534271601.db2.gz PLUJATFKNWQRNC-UWVGGRQHSA-N 1 2 295.295 -1.156 20 0 CAADLO C[C@@H]1CN(C(=O)C(=O)NC2CC2)CC[N@@H+]1CCO ZINC000426060121 534291036 /nfs/dbraw/zinc/29/10/36/534291036.db2.gz GXVNRFDTKSSVNS-SECBINFHSA-N 1 2 255.318 -1.210 20 0 CAADLO C[C@@H]1CN(C(=O)C(=O)NC2CC2)CC[N@H+]1CCO ZINC000426060121 534291038 /nfs/dbraw/zinc/29/10/38/534291038.db2.gz GXVNRFDTKSSVNS-SECBINFHSA-N 1 2 255.318 -1.210 20 0 CAADLO C[C@@H]1CN(C(=O)C(=O)Nc2cnn(C)c2)CC[N@@H+]1CCO ZINC000427406777 534298424 /nfs/dbraw/zinc/29/84/24/534298424.db2.gz VNTVJLOCOVHUBJ-SNVBAGLBSA-N 1 2 295.343 -1.116 20 0 CAADLO C[C@@H]1CN(C(=O)C(=O)Nc2cnn(C)c2)CC[N@H+]1CCO ZINC000427406777 534298426 /nfs/dbraw/zinc/29/84/26/534298426.db2.gz VNTVJLOCOVHUBJ-SNVBAGLBSA-N 1 2 295.343 -1.116 20 0 CAADLO C[C@@H]1CN(C(=O)CN2CC[NH2+]CC2=O)CCS1(=O)=O ZINC000430405119 534304626 /nfs/dbraw/zinc/30/46/26/534304626.db2.gz SERZOCNBXPWGEZ-SECBINFHSA-N 1 2 289.357 -1.936 20 0 CAADLO NC(=O)CN1CCN(C(=O)/C=C/c2[nH]cc[nH+]2)CC1=O ZINC000493843022 534324319 /nfs/dbraw/zinc/32/43/19/534324319.db2.gz IXAKHMYXTGZXPX-OWOJBTEDSA-N 1 2 277.284 -1.421 20 0 CAADLO NC(=O)CN1CC[N@H+](CC2(O)CCCC2)CC1=O ZINC000459707151 534326153 /nfs/dbraw/zinc/32/61/53/534326153.db2.gz RSMOMCWBKKHWPK-UHFFFAOYSA-N 1 2 255.318 -1.079 20 0 CAADLO NC(=O)CN1CC[N@@H+](CC2(O)CCCC2)CC1=O ZINC000459707151 534326160 /nfs/dbraw/zinc/32/61/60/534326160.db2.gz RSMOMCWBKKHWPK-UHFFFAOYSA-N 1 2 255.318 -1.079 20 0 CAADLO Cn1nncc1S(=O)(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000333326590 534366739 /nfs/dbraw/zinc/36/67/39/534366739.db2.gz QPMPJJGDCJAYDS-QMMMGPOBSA-N 1 2 275.334 -1.576 20 0 CAADLO Cn1nncc1S(=O)(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000333326590 534366746 /nfs/dbraw/zinc/36/67/46/534366746.db2.gz QPMPJJGDCJAYDS-QMMMGPOBSA-N 1 2 275.334 -1.576 20 0 CAADLO Cn1nncc1S(=O)(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000333326581 534367090 /nfs/dbraw/zinc/36/70/90/534367090.db2.gz QPMPJJGDCJAYDS-MRVPVSSYSA-N 1 2 275.334 -1.576 20 0 CAADLO Cn1nncc1S(=O)(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000333326581 534367100 /nfs/dbraw/zinc/36/71/00/534367100.db2.gz QPMPJJGDCJAYDS-MRVPVSSYSA-N 1 2 275.334 -1.576 20 0 CAADLO NC(=O)NC(=O)C[N@@H+]1CCC[C@H]1C(=O)NC1CC1 ZINC000049332673 534385022 /nfs/dbraw/zinc/38/50/22/534385022.db2.gz ACVZUAZSFQVBIM-QMMMGPOBSA-N 1 2 254.290 -1.076 20 0 CAADLO NC(=O)NC(=O)C[N@H+]1CCC[C@H]1C(=O)NC1CC1 ZINC000049332673 534385035 /nfs/dbraw/zinc/38/50/35/534385035.db2.gz ACVZUAZSFQVBIM-QMMMGPOBSA-N 1 2 254.290 -1.076 20 0 CAADLO NC(=O)NC(=O)C[NH+]1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000438995493 534385196 /nfs/dbraw/zinc/38/51/96/534385196.db2.gz GHAPBFRVZHAXIJ-UHFFFAOYSA-N 1 2 268.277 -1.115 20 0 CAADLO NC(=O)C[NH+]1CCC(CO)(NC(=O)C(F)F)CC1 ZINC001274891445 782161434 /nfs/dbraw/zinc/16/14/34/782161434.db2.gz HDTKGXAKDUISJR-UHFFFAOYSA-N 1 2 265.260 -1.320 20 0 CAADLO NC(=O)NC[C@H]1CCCCN1C(=O)CN1CC[NH2+]CC1=O ZINC000430235870 534398560 /nfs/dbraw/zinc/39/85/60/534398560.db2.gz FSUSERRGZWTCHS-SNVBAGLBSA-N 1 2 297.359 -1.532 20 0 CAADLO C[C@H](C[NH2+]Cc1noc2c1COCC2)NC(=O)C(N)=O ZINC001274900348 782161614 /nfs/dbraw/zinc/16/16/14/782161614.db2.gz AWJRSDBEUOAPLJ-SSDOTTSWSA-N 1 2 282.300 -1.173 20 0 CAADLO Cc1nc(N2CCN(CC(N)=O)CC2)nc(N(C)C)[nH+]1 ZINC000488370481 534436099 /nfs/dbraw/zinc/43/60/99/534436099.db2.gz QVPDVXMSSNDSQT-UHFFFAOYSA-N 1 2 279.348 -1.147 20 0 CAADLO Cc1noc([C@@H](C)NC(=O)CN2CC[NH2+]CC2=O)n1 ZINC000430274253 534441383 /nfs/dbraw/zinc/44/13/83/534441383.db2.gz QRTXRRCADFXJEH-SSDOTTSWSA-N 1 2 267.289 -1.013 20 0 CAADLO CC(C)Nc1nc(NCCO)[nH+]c(NC[C@H](O)C2CC2)n1 ZINC000340018502 519699630 /nfs/dbraw/zinc/69/96/30/519699630.db2.gz RDMFGGFRPSNJFL-JTQLQIEISA-N 1 2 296.375 -1.455 20 0 CAADLO CC(C)Nc1nc(NC[C@H](O)C2CC2)nc(NCCO)[nH+]1 ZINC000340018502 519699632 /nfs/dbraw/zinc/69/96/32/519699632.db2.gz RDMFGGFRPSNJFL-JTQLQIEISA-N 1 2 296.375 -1.455 20 0 CAADLO CC(C)Nc1nc(NCCO)nc(NC[C@H](O)C2CC2)[nH+]1 ZINC000340018502 519699634 /nfs/dbraw/zinc/69/96/34/519699634.db2.gz RDMFGGFRPSNJFL-JTQLQIEISA-N 1 2 296.375 -1.455 20 0 CAADLO CC(C)Nc1nc(N2CCC(O)CC2)nc(NCCO)[nH+]1 ZINC000339967555 519699790 /nfs/dbraw/zinc/69/97/90/519699790.db2.gz IVXNYMSVABVCIL-UHFFFAOYSA-N 1 2 296.375 -1.099 20 0 CAADLO CC(C)Nc1nc(NCCO)[nH+]c(N2CCC(O)CC2)n1 ZINC000339967555 519699796 /nfs/dbraw/zinc/69/97/96/519699796.db2.gz IVXNYMSVABVCIL-UHFFFAOYSA-N 1 2 296.375 -1.099 20 0 CAADLO CC(C)Nc1nc(NCCO)nc(N2CCC(O)CC2)[nH+]1 ZINC000339967555 519699799 /nfs/dbraw/zinc/69/97/99/519699799.db2.gz IVXNYMSVABVCIL-UHFFFAOYSA-N 1 2 296.375 -1.099 20 0 CAADLO CC(C)Nc1nc(NCCO)[nH+]c(NC[C@@H](O)C2CC2)n1 ZINC000340018503 519700070 /nfs/dbraw/zinc/70/00/70/519700070.db2.gz RDMFGGFRPSNJFL-SNVBAGLBSA-N 1 2 296.375 -1.455 20 0 CAADLO CC(C)Nc1nc(NC[C@@H](O)C2CC2)nc(NCCO)[nH+]1 ZINC000340018503 519700072 /nfs/dbraw/zinc/70/00/72/519700072.db2.gz RDMFGGFRPSNJFL-SNVBAGLBSA-N 1 2 296.375 -1.455 20 0 CAADLO CC(C)Nc1nc(NCCO)nc(NC[C@@H](O)C2CC2)[nH+]1 ZINC000340018503 519700073 /nfs/dbraw/zinc/70/00/73/519700073.db2.gz RDMFGGFRPSNJFL-SNVBAGLBSA-N 1 2 296.375 -1.455 20 0 CAADLO CCCNC(=O)NC(=O)C[N@@H+]1CC[C@H](S(N)(=O)=O)C1 ZINC000339848421 519885154 /nfs/dbraw/zinc/88/51/54/519885154.db2.gz SWEYZXCQBLCYBA-QMMMGPOBSA-N 1 2 292.361 -1.415 20 0 CAADLO CCCNC(=O)NC(=O)C[N@H+]1CC[C@H](S(N)(=O)=O)C1 ZINC000339848421 519885155 /nfs/dbraw/zinc/88/51/55/519885155.db2.gz SWEYZXCQBLCYBA-QMMMGPOBSA-N 1 2 292.361 -1.415 20 0 CAADLO CCOCCNC(=O)C(=O)N1CC[NH+](CCOC)CC1 ZINC000340059316 519928806 /nfs/dbraw/zinc/92/88/06/519928806.db2.gz NSHWFLILYKQEQB-UHFFFAOYSA-N 1 2 287.360 -1.070 20 0 CAADLO CCOCCNC(=O)C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000340060838 519931952 /nfs/dbraw/zinc/93/19/52/519931952.db2.gz XMGLJDXXRKGBQJ-NSHDSACASA-N 1 2 287.360 -1.024 20 0 CAADLO CCOCCNC(=O)C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000340060838 519931960 /nfs/dbraw/zinc/93/19/60/519931960.db2.gz XMGLJDXXRKGBQJ-NSHDSACASA-N 1 2 287.360 -1.024 20 0 CAADLO CCN(C)C(=O)CNC(=O)C(=O)NCCn1cc[nH+]c1 ZINC000339713084 520154784 /nfs/dbraw/zinc/15/47/84/520154784.db2.gz XELGPGBVIBXSOT-UHFFFAOYSA-N 1 2 281.316 -1.406 20 0 CAADLO CC[N@H+](CC(N)=O)CC(=O)NC(=O)N[C@@H](C)COC ZINC000355618866 520433917 /nfs/dbraw/zinc/43/39/17/520433917.db2.gz HMEXRMLTGBPZLM-QMMMGPOBSA-N 1 2 274.321 -1.346 20 0 CAADLO CC[N@@H+](CC(N)=O)CC(=O)NC(=O)N[C@@H](C)COC ZINC000355618866 520433922 /nfs/dbraw/zinc/43/39/22/520433922.db2.gz HMEXRMLTGBPZLM-QMMMGPOBSA-N 1 2 274.321 -1.346 20 0 CAADLO CCOC(=O)CN(C)C(=O)C[N@H+](CC)CC(N)=O ZINC000276389888 520733429 /nfs/dbraw/zinc/73/34/29/520733429.db2.gz HZSGAXZWPVBTSH-UHFFFAOYSA-N 1 2 259.306 -1.185 20 0 CAADLO CCOC(=O)CN(C)C(=O)C[N@@H+](CC)CC(N)=O ZINC000276389888 520733438 /nfs/dbraw/zinc/73/34/38/520733438.db2.gz HZSGAXZWPVBTSH-UHFFFAOYSA-N 1 2 259.306 -1.185 20 0 CAADLO O=C(C[N@@H+]1CCC[C@H]1C(=O)NC1CC1)N1CCNC(=O)C1 ZINC000097258966 534533631 /nfs/dbraw/zinc/53/36/31/534533631.db2.gz QHFJMFSFSUMFRQ-NSHDSACASA-N 1 2 294.355 -1.312 20 0 CAADLO O=C(C[N@H+]1CCC[C@H]1C(=O)NC1CC1)N1CCNC(=O)C1 ZINC000097258966 534533639 /nfs/dbraw/zinc/53/36/39/534533639.db2.gz QHFJMFSFSUMFRQ-NSHDSACASA-N 1 2 294.355 -1.312 20 0 CAADLO O=C(CN1CC[NH2+]CC1=O)N[C@H]1CCCNC1=O ZINC000429903323 534537891 /nfs/dbraw/zinc/53/78/91/534537891.db2.gz QTFZIJMCSYLHSF-QMMMGPOBSA-N 1 2 254.290 -2.187 20 0 CAADLO O=C(CN1CC[NH2+]CC1=O)NCc1nnc2ccccn21 ZINC000430846864 534537915 /nfs/dbraw/zinc/53/79/15/534537915.db2.gz VVQMZGWTUMFQEY-UHFFFAOYSA-N 1 2 288.311 -1.223 20 0 CAADLO O=C(CN1CC[NH2+]CC1=O)N[C@@H]1CCCNC1=O ZINC000429903322 534538784 /nfs/dbraw/zinc/53/87/84/534538784.db2.gz QTFZIJMCSYLHSF-MRVPVSSYSA-N 1 2 254.290 -2.187 20 0 CAADLO CCC[C@H](O)CNc1nc(NC(C)C)nc(NCCO)[nH+]1 ZINC000340014402 521182272 /nfs/dbraw/zinc/18/22/72/521182272.db2.gz KWHBIQBXOJTSOY-JTQLQIEISA-N 1 2 298.391 -1.065 20 0 CAADLO CCC[C@H](O)CNc1nc(NCCO)[nH+]c(NC(C)C)n1 ZINC000340014402 521182275 /nfs/dbraw/zinc/18/22/75/521182275.db2.gz KWHBIQBXOJTSOY-JTQLQIEISA-N 1 2 298.391 -1.065 20 0 CAADLO CCC[C@H](O)CNc1nc(NCCO)nc(NC(C)C)[nH+]1 ZINC000340014402 521182286 /nfs/dbraw/zinc/18/22/86/521182286.db2.gz KWHBIQBXOJTSOY-JTQLQIEISA-N 1 2 298.391 -1.065 20 0 CAADLO O=C(CN1CSCC1=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000178651843 534553941 /nfs/dbraw/zinc/55/39/41/534553941.db2.gz ZJKFMYNLZZKORE-SNVBAGLBSA-N 1 2 284.385 -1.365 20 0 CAADLO O=C(CN1CSCC1=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000178651833 534554003 /nfs/dbraw/zinc/55/40/03/534554003.db2.gz ZJKFMYNLZZKORE-JTQLQIEISA-N 1 2 284.385 -1.365 20 0 CAADLO CC[NH+]1CCN(C(=O)C(=O)NCC(=O)N(C)C)CC1 ZINC000125450663 521660725 /nfs/dbraw/zinc/66/07/25/521660725.db2.gz FHUZTDMABJRTPD-UHFFFAOYSA-N 1 2 270.333 -1.645 20 0 CAADLO CC[NH+]1CCN(C(=O)C(=O)Nc2cn(C)nn2)CC1 ZINC000339877914 521661213 /nfs/dbraw/zinc/66/12/13/521661213.db2.gz FSHGPROWHRBBRW-UHFFFAOYSA-N 1 2 266.305 -1.082 20 0 CAADLO O=C(CNC(=O)[C@H]1CCCO1)NCC[NH+]1CCOCC1 ZINC000036105645 534581488 /nfs/dbraw/zinc/58/14/88/534581488.db2.gz DUWVXTGBVONDKV-LLVKDONJSA-N 1 2 285.344 -1.270 20 0 CAADLO CCNC(=O)NC(=O)[C@@H](C)[N@H+](C)[C@@H](COC)C(N)=O ZINC000339359990 521741310 /nfs/dbraw/zinc/74/13/10/521741310.db2.gz YELQTEJNBMKARJ-SFYZADRCSA-N 1 2 274.321 -1.347 20 0 CAADLO CCNC(=O)NC(=O)[C@@H](C)[N@@H+](C)[C@@H](COC)C(N)=O ZINC000339359990 521741311 /nfs/dbraw/zinc/74/13/11/521741311.db2.gz YELQTEJNBMKARJ-SFYZADRCSA-N 1 2 274.321 -1.347 20 0 CAADLO CCNC(=O)NC(=O)[C@@H](C)[N@H+](C)[C@H](COC)C(N)=O ZINC000339359985 521741478 /nfs/dbraw/zinc/74/14/78/521741478.db2.gz YELQTEJNBMKARJ-HTQZYQBOSA-N 1 2 274.321 -1.347 20 0 CAADLO CCNC(=O)NC(=O)[C@@H](C)[N@@H+](C)[C@H](COC)C(N)=O ZINC000339359985 521741479 /nfs/dbraw/zinc/74/14/79/521741479.db2.gz YELQTEJNBMKARJ-HTQZYQBOSA-N 1 2 274.321 -1.347 20 0 CAADLO CC[C@@H](C)[NH+](CC(=O)NC(N)=O)CC(=O)NC(N)=O ZINC000047549371 522072560 /nfs/dbraw/zinc/07/25/60/522072560.db2.gz GPNXEZAXDCGJTG-ZCFIWIBFSA-N 1 2 273.293 -1.523 20 0 CAADLO COc1cc(C(=O)NCCC[N@@H+]2CCNC(=O)C2)nn1C ZINC000275082155 522108609 /nfs/dbraw/zinc/10/86/09/522108609.db2.gz SELNEGRKUSFYNP-UHFFFAOYSA-N 1 2 295.343 -1.020 20 0 CAADLO COc1cc(C(=O)NCCC[N@H+]2CCNC(=O)C2)nn1C ZINC000275082155 522108611 /nfs/dbraw/zinc/10/86/11/522108611.db2.gz SELNEGRKUSFYNP-UHFFFAOYSA-N 1 2 295.343 -1.020 20 0 CAADLO COC[C@@H](C(N)=O)[N@H+](C)CCN1C(=O)NC(C)(C)C1=O ZINC000339360029 522163443 /nfs/dbraw/zinc/16/34/43/522163443.db2.gz HBVIKEGECOLOBH-QMMMGPOBSA-N 1 2 286.332 -1.251 20 0 CAADLO COC[C@@H](CO)NC(=O)C[N@H+](C)CC(=O)NC(C)C ZINC000357555803 522300244 /nfs/dbraw/zinc/30/02/44/522300244.db2.gz XPDRNQRIOGUOKD-SNVBAGLBSA-N 1 2 275.349 -1.434 20 0 CAADLO COC[C@@H](CO)NC(=O)C[N@@H+](C)CC(=O)NC(C)C ZINC000357555803 522300257 /nfs/dbraw/zinc/30/02/57/522300257.db2.gz XPDRNQRIOGUOKD-SNVBAGLBSA-N 1 2 275.349 -1.434 20 0 CAADLO COC(=O)c1cn(CC(=O)NCC[NH+]2CCOCC2)nn1 ZINC000266972709 522317587 /nfs/dbraw/zinc/31/75/87/522317587.db2.gz MOXFRRRGGHRWBE-UHFFFAOYSA-N 1 2 297.315 -1.487 20 0 CAADLO O=C(NC[C@H](O)C[NH+]1CCOCC1)C1(O)CCC1 ZINC000331391834 534626413 /nfs/dbraw/zinc/62/64/13/534626413.db2.gz DHCXOONIHZRLQK-JTQLQIEISA-N 1 2 258.318 -1.289 20 0 CAADLO O=C([C@H]1CNC(=O)C1)N1CC[NH+](CCn2cncn2)CC1 ZINC000331891285 534635409 /nfs/dbraw/zinc/63/54/09/534635409.db2.gz ISODIWKLCAHMSN-LLVKDONJSA-N 1 2 292.343 -1.442 20 0 CAADLO C[N@H+](CC(=O)N1CCNC(=O)C1)C1(C(N)=O)CCCC1 ZINC000120175851 522442600 /nfs/dbraw/zinc/44/26/00/522442600.db2.gz CRCBIGMRTQAYCC-UHFFFAOYSA-N 1 2 282.344 -1.325 20 0 CAADLO C[N@@H+](CC(=O)N1CCNC(=O)C1)C1(C(N)=O)CCCC1 ZINC000120175851 522442615 /nfs/dbraw/zinc/44/26/15/522442615.db2.gz CRCBIGMRTQAYCC-UHFFFAOYSA-N 1 2 282.344 -1.325 20 0 CAADLO COCC(=O)N(C)CC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000340069040 522723886 /nfs/dbraw/zinc/72/38/86/522723886.db2.gz IGKGYAMJGLXYDI-NSHDSACASA-N 1 2 287.360 -1.072 20 0 CAADLO COCC(=O)N1CC[NH+](CCN2C(=O)CCC2=O)CC1 ZINC000336895611 522743388 /nfs/dbraw/zinc/74/33/88/522743388.db2.gz REXBPNVSLFTNDY-UHFFFAOYSA-N 1 2 283.328 -1.074 20 0 CAADLO COC[C@H](O)CNC(=O)NCC[NH+]1CCOCC1 ZINC000338477171 522792692 /nfs/dbraw/zinc/79/26/92/522792692.db2.gz LMSAJNWWANHOPM-SNVBAGLBSA-N 1 2 261.322 -1.375 20 0 CAADLO COC[C@H](O)CNS(=O)(=O)CCC[NH+]1CCOCC1 ZINC000338422040 522801815 /nfs/dbraw/zinc/80/18/15/522801815.db2.gz ICGURRXDRRYJMU-LLVKDONJSA-N 1 2 296.389 -1.365 20 0 CAADLO CC[C@@H](O)C[N@@H+]1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 ZINC000364993799 522999323 /nfs/dbraw/zinc/99/93/23/522999323.db2.gz AULMGWVGBNQEGD-SNVBAGLBSA-N 1 2 297.359 -1.281 20 0 CAADLO CC[C@@H](O)C[N@H+]1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 ZINC000364993799 522999331 /nfs/dbraw/zinc/99/93/31/522999331.db2.gz AULMGWVGBNQEGD-SNVBAGLBSA-N 1 2 297.359 -1.281 20 0 CAADLO CN(C[C@H](O)C[NH+]1CCOCC1)c1nccn(C)c1=O ZINC000333464948 523095980 /nfs/dbraw/zinc/09/59/80/523095980.db2.gz QGMWIBLRXQEZTB-NSHDSACASA-N 1 2 282.344 -1.090 20 0 CAADLO Cn1c(C[N@@H+]2CCN3C(=O)OC[C@H]3C2)cc(=O)n(C)c1=O ZINC000493670419 534689568 /nfs/dbraw/zinc/68/95/68/534689568.db2.gz REGLOPKJDUNILI-SNVBAGLBSA-N 1 2 294.311 -1.280 20 0 CAADLO Cn1c(C[N@H+]2CCN3C(=O)OC[C@H]3C2)cc(=O)n(C)c1=O ZINC000493670419 534689574 /nfs/dbraw/zinc/68/95/74/534689574.db2.gz REGLOPKJDUNILI-SNVBAGLBSA-N 1 2 294.311 -1.280 20 0 CAADLO COCc1nc(C(=O)NCCC[N@@H+]2CCNC(=O)C2)no1 ZINC000359182760 523174973 /nfs/dbraw/zinc/17/49/73/523174973.db2.gz CKKSLNMGDZRCFH-UHFFFAOYSA-N 1 2 297.315 -1.232 20 0 CAADLO COCc1nc(C(=O)NCCC[N@H+]2CCNC(=O)C2)no1 ZINC000359182760 523174986 /nfs/dbraw/zinc/17/49/86/523174986.db2.gz CKKSLNMGDZRCFH-UHFFFAOYSA-N 1 2 297.315 -1.232 20 0 CAADLO COC(=O)CNC(=O)C[N@@H+]1CCCNC(=O)[C@@H]1C ZINC000364960885 523192560 /nfs/dbraw/zinc/19/25/60/523192560.db2.gz UEEGLEGTCDUDFX-QMMMGPOBSA-N 1 2 257.290 -1.514 20 0 CAADLO COC(=O)CNC(=O)C[N@H+]1CCCNC(=O)[C@@H]1C ZINC000364960885 523192573 /nfs/dbraw/zinc/19/25/73/523192573.db2.gz UEEGLEGTCDUDFX-QMMMGPOBSA-N 1 2 257.290 -1.514 20 0 CAADLO COC(=O)CNC(=O)[C@H](C)[N@H+](C)[C@H]1CCN(C)C1=O ZINC000265618644 523199509 /nfs/dbraw/zinc/19/95/09/523199509.db2.gz ALZHIMDSDHEFPL-IUCAKERBSA-N 1 2 271.317 -1.173 20 0 CAADLO COC(=O)CNC(=O)[C@H](C)[N@@H+](C)[C@H]1CCN(C)C1=O ZINC000265618644 523199519 /nfs/dbraw/zinc/19/95/19/523199519.db2.gz ALZHIMDSDHEFPL-IUCAKERBSA-N 1 2 271.317 -1.173 20 0 CAADLO COC(=O)[C@@H](C)CC(=O)NC[C@@H](O)C[NH+]1CCOCC1 ZINC000340062694 523488788 /nfs/dbraw/zinc/48/87/88/523488788.db2.gz MTHMTCHCSHERLF-WDEREUQCSA-N 1 2 288.344 -1.005 20 0 CAADLO COCC[N@H+](C)CC(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000048611059 523577890 /nfs/dbraw/zinc/57/78/90/523577890.db2.gz CJVCDQIJGVOWPU-UHFFFAOYSA-N 1 2 284.316 -1.573 20 0 CAADLO COCC[N@@H+](C)CC(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000048611059 523577898 /nfs/dbraw/zinc/57/78/98/523577898.db2.gz CJVCDQIJGVOWPU-UHFFFAOYSA-N 1 2 284.316 -1.573 20 0 CAADLO COCC[N@H+](CC(=O)NCCC(=O)OC)[C@@H](C)C(N)=O ZINC000264375895 523654933 /nfs/dbraw/zinc/65/49/33/523654933.db2.gz KHSJFJCZJORTAI-VIFPVBQESA-N 1 2 289.332 -1.512 20 0 CAADLO COCC[N@@H+](CC(=O)NCCC(=O)OC)[C@@H](C)C(N)=O ZINC000264375895 523654940 /nfs/dbraw/zinc/65/49/40/523654940.db2.gz KHSJFJCZJORTAI-VIFPVBQESA-N 1 2 289.332 -1.512 20 0 CAADLO Cn1cc(C(=O)C(=O)NC[C@H]2C[NH+]3CCN2CC3)cn1 ZINC000178779771 534729624 /nfs/dbraw/zinc/72/96/24/534729624.db2.gz SFZWPRSMFRDFOD-NSHDSACASA-N 1 2 277.328 -1.281 20 0 CAADLO COC(=O)[C@@H]1C[C@@H]1C(=O)NCCC[N@@H+]1CCNC(=O)C1 ZINC000336976245 523776062 /nfs/dbraw/zinc/77/60/62/523776062.db2.gz WRZGIKZEWVHLBA-VHSXEESVSA-N 1 2 283.328 -1.266 20 0 CAADLO COC(=O)[C@@H]1C[C@@H]1C(=O)NCCC[N@H+]1CCNC(=O)C1 ZINC000336976245 523776067 /nfs/dbraw/zinc/77/60/67/523776067.db2.gz WRZGIKZEWVHLBA-VHSXEESVSA-N 1 2 283.328 -1.266 20 0 CAADLO COCC[NH+]1CCN(C(=O)C(=O)NC[C@@H]2CCOC2)CC1 ZINC000339337553 523838017 /nfs/dbraw/zinc/83/80/17/523838017.db2.gz FYZRRUFLFOANOJ-LBPRGKRZSA-N 1 2 299.371 -1.070 20 0 CAADLO COC(=O)[C@H](C)CC(=O)NC[C@@H](O)C[NH+]1CCOCC1 ZINC000340062689 523852360 /nfs/dbraw/zinc/85/23/60/523852360.db2.gz MTHMTCHCSHERLF-GHMZBOCLSA-N 1 2 288.344 -1.005 20 0 CAADLO COC(=O)[C@H](C)CC(=O)NC[C@H](O)C[NH+]1CCOCC1 ZINC000340062691 523853889 /nfs/dbraw/zinc/85/38/89/523853889.db2.gz MTHMTCHCSHERLF-MNOVXSKESA-N 1 2 288.344 -1.005 20 0 CAADLO CN1CC[N@H+](C)C[C@@H]1CNS(=O)(=O)c1c[nH]cn1 ZINC000226864821 523888419 /nfs/dbraw/zinc/88/84/19/523888419.db2.gz UOOLTLIKRCALDI-VIFPVBQESA-N 1 2 273.362 -1.066 20 0 CAADLO CN1CC[N@@H+](C)C[C@@H]1CNS(=O)(=O)c1c[nH]cn1 ZINC000226864821 523888423 /nfs/dbraw/zinc/88/84/23/523888423.db2.gz UOOLTLIKRCALDI-VIFPVBQESA-N 1 2 273.362 -1.066 20 0 CAADLO CN1CC[C@@H](C(=O)N[C@@H](CO)C[NH+]2CCOCC2)CC1=O ZINC000339215910 523956830 /nfs/dbraw/zinc/95/68/30/523956830.db2.gz NLYWNLSTYSJKPE-VXGBXAGGSA-N 1 2 299.371 -1.336 20 0 CAADLO CN1CC[C@@H](C(=O)N[C@H](CO)C[NH+]2CCOCC2)CC1=O ZINC000339215903 523957358 /nfs/dbraw/zinc/95/73/58/523957358.db2.gz NLYWNLSTYSJKPE-NEPJUHHUSA-N 1 2 299.371 -1.336 20 0 CAADLO COCCOCCC(=O)N[C@H](CO)C[NH+]1CCOCC1 ZINC000339211084 523986894 /nfs/dbraw/zinc/98/68/94/523986894.db2.gz AGIYPYLHWSXPON-LBPRGKRZSA-N 1 2 290.360 -1.151 20 0 CAADLO CNC(=O)C(=O)N1CCN(Cc2[nH+]ccn2C)CC1 ZINC000340625206 524039581 /nfs/dbraw/zinc/03/95/81/524039581.db2.gz YECNGRXAAABYDO-UHFFFAOYSA-N 1 2 265.317 -1.190 20 0 CAADLO CNC(=O)C1(C(=O)N[C@@H](CO)C[NH+]2CCOCC2)CC1 ZINC000339212957 524046649 /nfs/dbraw/zinc/04/66/49/524046649.db2.gz FLVMMRFDICQPDX-SNVBAGLBSA-N 1 2 285.344 -1.678 20 0 CAADLO CNC(=O)C[N@@H+]1CCCN(C(=O)C(=O)NCC2CC2)CC1 ZINC000365078608 524072214 /nfs/dbraw/zinc/07/22/14/524072214.db2.gz PIYORLORMOKHJI-UHFFFAOYSA-N 1 2 296.371 -1.207 20 0 CAADLO CNC(=O)C[N@H+]1CCCN(C(=O)C(=O)NCC2CC2)CC1 ZINC000365078608 524072215 /nfs/dbraw/zinc/07/22/15/524072215.db2.gz PIYORLORMOKHJI-UHFFFAOYSA-N 1 2 296.371 -1.207 20 0 CAADLO CNC(=O)NC(=O)C[NH+](CC(=O)NC(=O)NC)C1CC1 ZINC000047550008 524077261 /nfs/dbraw/zinc/07/72/61/524077261.db2.gz HLCYJZQVGFNIBR-UHFFFAOYSA-N 1 2 285.304 -1.638 20 0 CAADLO CNC(=O)NC(=O)C[NH+](CC(=O)NC(=O)NC)C(C)C ZINC000047549144 524077264 /nfs/dbraw/zinc/07/72/64/524077264.db2.gz AJTSHHOSZFDUMU-UHFFFAOYSA-N 1 2 287.320 -1.392 20 0 CAADLO CNC(=O)NC(=O)[C@@H](C)[N@H+](C)CC(=O)N1CCOCC1 ZINC000299283565 524077719 /nfs/dbraw/zinc/07/77/19/524077719.db2.gz URZNURMQUFYWBD-SECBINFHSA-N 1 2 286.332 -1.379 20 0 CAADLO CNC(=O)NC(=O)[C@@H](C)[N@@H+](C)CC(=O)N1CCOCC1 ZINC000299283565 524077720 /nfs/dbraw/zinc/07/77/20/524077720.db2.gz URZNURMQUFYWBD-SECBINFHSA-N 1 2 286.332 -1.379 20 0 CAADLO CNC(=O)NC(=O)[C@H](C)[N@H+](C)CC(=O)N1CCOCC1 ZINC000299283568 524078151 /nfs/dbraw/zinc/07/81/51/524078151.db2.gz URZNURMQUFYWBD-VIFPVBQESA-N 1 2 286.332 -1.379 20 0 CAADLO CNC(=O)NC(=O)[C@H](C)[N@@H+](C)CC(=O)N1CCOCC1 ZINC000299283568 524078152 /nfs/dbraw/zinc/07/81/52/524078152.db2.gz URZNURMQUFYWBD-VIFPVBQESA-N 1 2 286.332 -1.379 20 0 CAADLO CNC(=O)NCCC(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000341371112 524079053 /nfs/dbraw/zinc/07/90/53/524079053.db2.gz FGPAFGOUVSTCSS-UHFFFAOYSA-N 1 2 299.375 -1.286 20 0 CAADLO C[C@H](C[NH+]1CCOCC1)NC(=O)C(=O)N1CCOCC1 ZINC000339321150 524351411 /nfs/dbraw/zinc/35/14/11/524351411.db2.gz RZOMQGMKPRSLCN-LLVKDONJSA-N 1 2 285.344 -1.318 20 0 CAADLO C[C@H](C[NH+]1CCOCC1)NC(=O)C(=O)NC[C@H]1CCOC1 ZINC000339336116 524351792 /nfs/dbraw/zinc/35/17/92/524351792.db2.gz ZGZGDCHTUKPRPY-VXGBXAGGSA-N 1 2 299.371 -1.024 20 0 CAADLO Cn1cccc(C(=O)NCCC[N@@H+]2CCNC(=O)C2)c1=O ZINC000344694978 534777034 /nfs/dbraw/zinc/77/70/34/534777034.db2.gz MRUBQCGWSPDKOV-UHFFFAOYSA-N 1 2 292.339 -1.063 20 0 CAADLO Cn1cccc(C(=O)NCCC[N@H+]2CCNC(=O)C2)c1=O ZINC000344694978 534777038 /nfs/dbraw/zinc/77/70/38/534777038.db2.gz MRUBQCGWSPDKOV-UHFFFAOYSA-N 1 2 292.339 -1.063 20 0 CAADLO C[C@H](CNC(=O)C(=O)NC[C@H]1CCOC1)[NH+]1CCOCC1 ZINC000339340109 524369948 /nfs/dbraw/zinc/36/99/48/524369948.db2.gz MJXAHOBPGWUJCD-VXGBXAGGSA-N 1 2 299.371 -1.024 20 0 CAADLO O=C1NC[C@H]2C[N@H+](C[C@H](O)CC(F)(F)F)CCN2C1=O ZINC000189563806 534788485 /nfs/dbraw/zinc/78/84/85/534788485.db2.gz YFTFTURYXZDNCK-JGVFFNPUSA-N 1 2 295.261 -1.058 20 0 CAADLO O=C1NC[C@H]2C[N@@H+](C[C@H](O)CC(F)(F)F)CCN2C1=O ZINC000189563806 534788494 /nfs/dbraw/zinc/78/84/94/534788494.db2.gz YFTFTURYXZDNCK-JGVFFNPUSA-N 1 2 295.261 -1.058 20 0 CAADLO O=C1NC[C@H]2CN(C[C@H](O)C[NH+]3CCOCC3)CCN12 ZINC000176925933 534788904 /nfs/dbraw/zinc/78/89/04/534788904.db2.gz CSGOTYAHVVQWDN-NWDGAFQWSA-N 1 2 284.360 -1.611 20 0 CAADLO Cn1cc[nH+]c1CNC(=O)CN1CCN(C)C(=O)C1 ZINC000333334103 534786995 /nfs/dbraw/zinc/78/69/95/534786995.db2.gz ZCZGSKGXBHADHN-UHFFFAOYSA-N 1 2 265.317 -1.190 20 0 CAADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)C(=O)NC[C@H]1CCOC1 ZINC000339336114 524622588 /nfs/dbraw/zinc/62/25/88/524622588.db2.gz ZGZGDCHTUKPRPY-NWDGAFQWSA-N 1 2 299.371 -1.024 20 0 CAADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)C(=O)NC[C@@H]1CCOC1 ZINC000339336115 524623189 /nfs/dbraw/zinc/62/31/89/524623189.db2.gz ZGZGDCHTUKPRPY-RYUDHWBXSA-N 1 2 299.371 -1.024 20 0 CAADLO Cn1cnn(CC(=O)N2C[C@@H]3OCC[N@H+](C)[C@H]3C2)c1=O ZINC000329096378 534816895 /nfs/dbraw/zinc/81/68/95/534816895.db2.gz LCSVSAOKVZZESD-UWVGGRQHSA-N 1 2 281.316 -1.877 20 0 CAADLO Cn1cnn(CC(=O)N2C[C@@H]3OCC[N@@H+](C)[C@H]3C2)c1=O ZINC000329096378 534816902 /nfs/dbraw/zinc/81/69/02/534816902.db2.gz LCSVSAOKVZZESD-UWVGGRQHSA-N 1 2 281.316 -1.877 20 0 CAADLO Cn1cnn(CC(=O)N2C[C@H]3OCC[N@H+](C)[C@@H]3C2)c1=O ZINC000329096375 534817876 /nfs/dbraw/zinc/81/78/76/534817876.db2.gz LCSVSAOKVZZESD-NXEZZACHSA-N 1 2 281.316 -1.877 20 0 CAADLO Cn1cnn(CC(=O)N2C[C@H]3OCC[N@@H+](C)[C@@H]3C2)c1=O ZINC000329096375 534817881 /nfs/dbraw/zinc/81/78/81/534817881.db2.gz LCSVSAOKVZZESD-NXEZZACHSA-N 1 2 281.316 -1.877 20 0 CAADLO C[C@H]1C[C@H]1C[NH+](CC(=O)NC(N)=O)CC(=O)NC(N)=O ZINC000047045282 524952794 /nfs/dbraw/zinc/95/27/94/524952794.db2.gz WEQPNDNBEAOAQP-BQBZGAKWSA-N 1 2 285.304 -1.666 20 0 CAADLO Nc1nc(N)nc(C[N@@H+]2CCSC[C@@H]2CCO)n1 ZINC000347384692 534839843 /nfs/dbraw/zinc/83/98/43/534839843.db2.gz XCYJXORXQRDXFX-ZETCQYMHSA-N 1 2 270.362 -1.003 20 0 CAADLO Nc1nc(N)nc(C[N@H+]2CCSC[C@@H]2CCO)n1 ZINC000347384692 534839847 /nfs/dbraw/zinc/83/98/47/534839847.db2.gz XCYJXORXQRDXFX-ZETCQYMHSA-N 1 2 270.362 -1.003 20 0 CAADLO NC(=O)C1([NH2+]Cc2nc(N)nc(N)n2)CCCCC1 ZINC000440545529 534840073 /nfs/dbraw/zinc/84/00/73/534840073.db2.gz CWBJCDKUZQVDCX-UHFFFAOYSA-N 1 2 265.321 -1.025 20 0 CAADLO C[C@@H]1C[C@@H](O)C[N@@H+]1CC(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000340924219 525282403 /nfs/dbraw/zinc/28/24/03/525282403.db2.gz IBTAXLFYIMJYDU-HTQZYQBOSA-N 1 2 296.327 -1.696 20 0 CAADLO C[C@@H]1C[C@@H](O)C[N@H+]1CC(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000340924219 525282410 /nfs/dbraw/zinc/28/24/10/525282410.db2.gz IBTAXLFYIMJYDU-HTQZYQBOSA-N 1 2 296.327 -1.696 20 0 CAADLO O=S(=O)(NC[C@H]1C[NH+]2CCN1CC2)[C@@H]1CCOC1 ZINC000446933494 534868651 /nfs/dbraw/zinc/86/86/51/534868651.db2.gz NFPNVIZFUPMMHM-WDEREUQCSA-N 1 2 275.374 -1.306 20 0 CAADLO C[NH+]1CC2(CCN2C(=O)[C@H]2O[C@@H](O)[C@H](O)[C@@H](O)[C@H]2O)C1 ZINC001275043666 782163907 /nfs/dbraw/zinc/16/39/07/782163907.db2.gz GGPZWDGVCICOFB-OKZKDYFGSA-N 1 2 288.300 -3.297 20 0 CAADLO C[C@H](C(=O)NC(N)=O)[N@@H+]1CCN2C(=O)OC[C@H]2C1 ZINC000370558832 526019418 /nfs/dbraw/zinc/01/94/18/526019418.db2.gz VDIJQKXEFZIIBZ-RNFRBKRXSA-N 1 2 256.262 -1.294 20 0 CAADLO C[C@H](C(=O)NC(N)=O)[N@H+]1CCN2C(=O)OC[C@H]2C1 ZINC000370558832 526019425 /nfs/dbraw/zinc/01/94/25/526019425.db2.gz VDIJQKXEFZIIBZ-RNFRBKRXSA-N 1 2 256.262 -1.294 20 0 CAADLO C[C@@H]1C(=O)NCCN1C[C@@H](O)C[NH+]1CCOCC1 ZINC000246390716 526207897 /nfs/dbraw/zinc/20/78/97/526207897.db2.gz VOXSQZOMYLCVLC-MNOVXSKESA-N 1 2 257.334 -1.500 20 0 CAADLO C[C@@H]1C(=O)NCC[N@H+]1C[C@@H](O)CN1CCOCC1 ZINC000246390716 526207903 /nfs/dbraw/zinc/20/79/03/526207903.db2.gz VOXSQZOMYLCVLC-MNOVXSKESA-N 1 2 257.334 -1.500 20 0 CAADLO C[C@@H]1C(=O)NCC[N@@H+]1C[C@@H](O)CN1CCOCC1 ZINC000246390716 526207909 /nfs/dbraw/zinc/20/79/09/526207909.db2.gz VOXSQZOMYLCVLC-MNOVXSKESA-N 1 2 257.334 -1.500 20 0 CAADLO C[C@H]1C(=O)NCC[N@H+]1CCCN1C(=O)CNC1=O ZINC000104693501 526208731 /nfs/dbraw/zinc/20/87/31/526208731.db2.gz OAYBRKNBTJTOMM-QMMMGPOBSA-N 1 2 254.290 -1.251 20 0 CAADLO C[C@H]1C(=O)NCC[N@@H+]1CCCN1C(=O)CNC1=O ZINC000104693501 526208738 /nfs/dbraw/zinc/20/87/38/526208738.db2.gz OAYBRKNBTJTOMM-QMMMGPOBSA-N 1 2 254.290 -1.251 20 0 CAADLO CC(C)(C)NC(=O)CCNC(=O)CN1CC[NH2+]CC1=O ZINC000430046534 526302094 /nfs/dbraw/zinc/30/20/94/526302094.db2.gz OYYOVOFVTTWNOT-UHFFFAOYSA-N 1 2 284.360 -1.161 20 0 CAADLO CC(C)(C)NC(=O)NC(=O)C[NH+]1C[C@@H](O)[C@H](O)C1 ZINC000232504575 526318337 /nfs/dbraw/zinc/31/83/37/526318337.db2.gz LWUOBCUSEATWJM-HTQZYQBOSA-N 1 2 259.306 -1.352 20 0 CAADLO CC(C)(C)OC(=O)CNC(=O)C[N@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000444691642 526367968 /nfs/dbraw/zinc/36/79/68/526367968.db2.gz DCWQHMVEOYQPKY-DTORHVGOSA-N 1 2 274.317 -1.518 20 0 CAADLO CC(C)(C)OC(=O)CNC(=O)C[N@@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000444691642 526367972 /nfs/dbraw/zinc/36/79/72/526367972.db2.gz DCWQHMVEOYQPKY-DTORHVGOSA-N 1 2 274.317 -1.518 20 0 CAADLO O=C([C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CC(O)C1 ZINC000363783188 526454120 /nfs/dbraw/zinc/45/41/20/526454120.db2.gz JDSPQJZRVKRJNO-LLVKDONJSA-N 1 2 297.355 -1.630 20 0 CAADLO O=C([C@@H]1CCCC(=O)N1)N1CC[NH+](CCO)CC1 ZINC000340064225 526464808 /nfs/dbraw/zinc/46/48/08/526464808.db2.gz SMFHMFVMAHXJRU-JTQLQIEISA-N 1 2 255.318 -1.208 20 0 CAADLO O=C(NCCn1cc[nH+]c1)C(=O)N1CCC[C@H](O)C1 ZINC000339318581 526472527 /nfs/dbraw/zinc/47/25/27/526472527.db2.gz TZGUMNKOCVTWSG-JTQLQIEISA-N 1 2 266.301 -1.017 20 0 CAADLO CC(=O)N1CC(C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)C1 ZINC000331389341 526512776 /nfs/dbraw/zinc/51/27/76/526512776.db2.gz CNZMEGUCAPUFGO-CYBMUJFWSA-N 1 2 299.371 -1.384 20 0 CAADLO CC(=O)N1CC(C(=O)NC[C@@H]2C[NH+]3CCN2CC3)C1 ZINC000188604835 526515641 /nfs/dbraw/zinc/51/56/41/526515641.db2.gz MIBJVHYKBQIJQE-GFCCVEGCSA-N 1 2 266.345 -1.419 20 0 CAADLO CC(=O)N1CCN(C(=O)C[N@@H+](C)[C@@H]2COC[C@H]2O)CC1 ZINC000329175702 526608237 /nfs/dbraw/zinc/60/82/37/526608237.db2.gz MEKRIFGWNCSTOV-VXGBXAGGSA-N 1 2 285.344 -1.631 20 0 CAADLO CC(=O)N1CCN(C(=O)C[N@H+](C)[C@@H]2COC[C@H]2O)CC1 ZINC000329175702 526608243 /nfs/dbraw/zinc/60/82/43/526608243.db2.gz MEKRIFGWNCSTOV-VXGBXAGGSA-N 1 2 285.344 -1.631 20 0 CAADLO CC(=O)N1CCN(C(=O)C[N@@H+]2CCNC(=O)CC2)CC1 ZINC000054867842 526609431 /nfs/dbraw/zinc/60/94/31/526609431.db2.gz XGVXUUCNZJZTRE-UHFFFAOYSA-N 1 2 282.344 -1.501 20 0 CAADLO CC(=O)N1CCN(C(=O)C[N@H+]2CCNC(=O)CC2)CC1 ZINC000054867842 526609436 /nfs/dbraw/zinc/60/94/36/526609436.db2.gz XGVXUUCNZJZTRE-UHFFFAOYSA-N 1 2 282.344 -1.501 20 0 CAADLO CC(=O)N1CCN(C(=O)C[N@H+]2C[C@@H](CO)OC[C@@H]2C)CC1 ZINC000167844507 526610424 /nfs/dbraw/zinc/61/04/24/526610424.db2.gz GSTOUCSCHDECJA-AAEUAGOBSA-N 1 2 299.371 -1.241 20 0 CAADLO CC(=O)N1CCN(C(=O)C[N@@H+]2C[C@@H](CO)OC[C@@H]2C)CC1 ZINC000167844507 526610429 /nfs/dbraw/zinc/61/04/29/526610429.db2.gz GSTOUCSCHDECJA-AAEUAGOBSA-N 1 2 299.371 -1.241 20 0 CAADLO CC(=O)N1CC[NH+](CCNC(=O)[C@H]2NC(=O)O[C@@H]2C)CC1 ZINC000497055076 526626406 /nfs/dbraw/zinc/62/64/06/526626406.db2.gz HNCOFDSYIVZDNN-KOLCDFICSA-N 1 2 298.343 -1.236 20 0 CAADLO CC(=O)N1CC[C@@H](C(=O)NC[C@@H]2C[NH+]3CCN2CC3)C1 ZINC000178645989 526642464 /nfs/dbraw/zinc/64/24/64/526642464.db2.gz XZLIXCPOXZLPFP-CHWSQXEVSA-N 1 2 280.372 -1.029 20 0 CAADLO O=C(CCn1cncn1)N[C@H](CO)C[NH+]1CCOCC1 ZINC000339211516 526688163 /nfs/dbraw/zinc/68/81/63/526688163.db2.gz HHXZYEZVRUBRFX-NSHDSACASA-N 1 2 283.332 -1.523 20 0 CAADLO CC(C)(C)[C@H](NC(=O)CN1CC[NH2+]CC1=O)C(N)=O ZINC000156827721 526703466 /nfs/dbraw/zinc/70/34/66/526703466.db2.gz DWXKFBOAVMDAIO-SNVBAGLBSA-N 1 2 270.333 -1.566 20 0 CAADLO CC(=O)NC[C@@H]1CN(C(=O)CN2CC[NH2+]CC2=O)CCO1 ZINC000430399360 526776935 /nfs/dbraw/zinc/77/69/35/526776935.db2.gz ZZXDZIVSCGTUGY-LLVKDONJSA-N 1 2 298.343 -2.218 20 0 CAADLO O=C(CN1CCOCC1=O)NCCn1cc[nH+]c1 ZINC000279831507 526791750 /nfs/dbraw/zinc/79/17/50/526791750.db2.gz CUUBLBNQDUOOHX-UHFFFAOYSA-N 1 2 252.274 -1.142 20 0 CAADLO COCC[N@@H+]1C[C@@H]2COC[C@H](C1)N2S(=O)(=O)N(C)C ZINC001274984048 782164406 /nfs/dbraw/zinc/16/44/06/782164406.db2.gz WVZNZSJAPDSXTG-PHIMTYICSA-N 1 2 293.389 -1.176 20 0 CAADLO O=C(CNC(=O)C1(O)CCCC1)NCC[NH+]1CCOCC1 ZINC000333437983 526830253 /nfs/dbraw/zinc/83/02/53/526830253.db2.gz JDXFDZQHEMECEA-UHFFFAOYSA-N 1 2 299.371 -1.144 20 0 CAADLO COCC[N@H+]1C[C@@H]2COC[C@H](C1)N2S(=O)(=O)N(C)C ZINC001274984048 782164412 /nfs/dbraw/zinc/16/44/12/782164412.db2.gz WVZNZSJAPDSXTG-PHIMTYICSA-N 1 2 293.389 -1.176 20 0 CAADLO O=C(N[C@@H](CO)C[NH+]1CCOCC1)[C@@H]1CCNC(=O)C1 ZINC000339211137 526858977 /nfs/dbraw/zinc/85/89/77/526858977.db2.gz BXKJONALZHYFDU-GHMZBOCLSA-N 1 2 285.344 -1.678 20 0 CAADLO C=CC(=O)NCCC(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000490624032 526916383 /nfs/dbraw/zinc/91/63/83/526916383.db2.gz NOHKIJAIHVDVCA-GFCCVEGCSA-N 1 2 299.371 -1.170 20 0 CAADLO C=CC(=O)NCCC(=O)NCC[NH+]1CCN(C(C)=O)CC1 ZINC000490623546 526921056 /nfs/dbraw/zinc/92/10/56/526921056.db2.gz IWEQFFLSWYOLIC-UHFFFAOYSA-N 1 2 296.371 -1.041 20 0 CAADLO NC(=O)NC(=O)C[NH+]1CCN(c2cnccn2)CC1 ZINC000036822090 526925745 /nfs/dbraw/zinc/92/57/45/526925745.db2.gz YGPQXTLAGCOCFS-UHFFFAOYSA-N 1 2 264.289 -1.207 20 0 CAADLO NC(=O)[C@@H]1CCCC[N@@H+]1CC(=O)N1CCNC(=O)C1 ZINC000078719655 526960059 /nfs/dbraw/zinc/96/00/59/526960059.db2.gz BJPZKVWRELGRSU-VIFPVBQESA-N 1 2 268.317 -1.715 20 0 CAADLO NC(=O)[C@@H]1CCCC[N@H+]1CC(=O)N1CCNC(=O)C1 ZINC000078719655 526960064 /nfs/dbraw/zinc/96/00/64/526960064.db2.gz BJPZKVWRELGRSU-VIFPVBQESA-N 1 2 268.317 -1.715 20 0 CAADLO NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1CC(=O)N1CCNC(=O)C1 ZINC000364952816 526986462 /nfs/dbraw/zinc/98/64/62/526986462.db2.gz DMGLYJQYEBGILW-BREBYQMCSA-N 1 2 294.355 -1.469 20 0 CAADLO NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@H+]1CC(=O)N1CCNC(=O)C1 ZINC000364952816 526986468 /nfs/dbraw/zinc/98/64/68/526986468.db2.gz DMGLYJQYEBGILW-BREBYQMCSA-N 1 2 294.355 -1.469 20 0 CAADLO O=C(N[C@H](CO)C[NH+]1CCOCC1)[C@@H]1CCNC(=O)C1 ZINC000339211138 526995695 /nfs/dbraw/zinc/99/56/95/526995695.db2.gz BXKJONALZHYFDU-MNOVXSKESA-N 1 2 285.344 -1.678 20 0 CAADLO NC(=O)c1ccc(NCCC[N@@H+]2CCNC(=O)C2)nn1 ZINC000278855269 527066580 /nfs/dbraw/zinc/06/65/80/527066580.db2.gz XSIPLOWFJZDWGN-UHFFFAOYSA-N 1 2 278.316 -1.191 20 0 CAADLO NC(=O)c1ccc(NCCC[N@H+]2CCNC(=O)C2)nn1 ZINC000278855269 527066585 /nfs/dbraw/zinc/06/65/85/527066585.db2.gz XSIPLOWFJZDWGN-UHFFFAOYSA-N 1 2 278.316 -1.191 20 0 CAADLO Cn1c(N)c(C(=O)C[N@@H+]2CCC[C@@H]2CO)c(=O)n(C)c1=O ZINC000063512764 527072623 /nfs/dbraw/zinc/07/26/23/527072623.db2.gz ZLHWBFJNANHDEL-MRVPVSSYSA-N 1 2 296.327 -1.694 20 0 CAADLO Cn1c(N)c(C(=O)C[N@H+]2CCC[C@@H]2CO)c(=O)n(C)c1=O ZINC000063512764 527072627 /nfs/dbraw/zinc/07/26/27/527072627.db2.gz ZLHWBFJNANHDEL-MRVPVSSYSA-N 1 2 296.327 -1.694 20 0 CAADLO O=C1NC[C@@H]2CN(C[C@@H](O)C[NH+]3CCOCC3)CCN12 ZINC000246431630 527073783 /nfs/dbraw/zinc/07/37/83/527073783.db2.gz CSGOTYAHVVQWDN-NEPJUHHUSA-N 1 2 284.360 -1.611 20 0 CAADLO O=C1NC[C@@H]2C[N@H+](CCOCCO)CCN2C1=O ZINC000336703548 527074502 /nfs/dbraw/zinc/07/45/02/527074502.db2.gz GZIVFOOXWNHLQK-SECBINFHSA-N 1 2 257.290 -2.362 20 0 CAADLO O=C1NC[C@@H]2C[N@@H+](CCOCCO)CCN2C1=O ZINC000336703548 527074506 /nfs/dbraw/zinc/07/45/06/527074506.db2.gz GZIVFOOXWNHLQK-SECBINFHSA-N 1 2 257.290 -2.362 20 0 CAADLO O=C1NC[C@H]2CN(C[C@@H](O)C[NH+]3CCOCC3)CCN12 ZINC000246431639 527078367 /nfs/dbraw/zinc/07/83/67/527078367.db2.gz CSGOTYAHVVQWDN-RYUDHWBXSA-N 1 2 284.360 -1.611 20 0 CAADLO CC(C)(CNC(=O)CN1CC[NH2+]CC1=O)N1CCOCC1 ZINC000163547139 527107639 /nfs/dbraw/zinc/10/76/39/527107639.db2.gz ACNRMHDQUWBMHE-UHFFFAOYSA-N 1 2 298.387 -1.355 20 0 CAADLO CC(C)(CNC(=O)CN1CCNCC1=O)[NH+]1CCOCC1 ZINC000163547139 527107644 /nfs/dbraw/zinc/10/76/44/527107644.db2.gz ACNRMHDQUWBMHE-UHFFFAOYSA-N 1 2 298.387 -1.355 20 0 CAADLO CC(C)(CNC(=O)CN1CCNC(=O)C1)[NH+]1CCOCC1 ZINC000016388905 527107851 /nfs/dbraw/zinc/10/78/51/527107851.db2.gz URPVNUFSLSMENZ-UHFFFAOYSA-N 1 2 298.387 -1.355 20 0 CAADLO CC(C)(CNC(=O)Cn1cn[nH]c1=O)[NH+]1CCOCC1 ZINC000180491499 527111610 /nfs/dbraw/zinc/11/16/10/527111610.db2.gz QADPLADEXPGNNC-UHFFFAOYSA-N 1 2 283.332 -1.202 20 0 CAADLO Cn1cc(C[NH+]2CCN(C(=O)Cn3cnnn3)CC2)cn1 ZINC000264462509 527203326 /nfs/dbraw/zinc/20/33/26/527203326.db2.gz GPRDEVWUFMJDJA-UHFFFAOYSA-N 1 2 290.331 -1.249 20 0 CAADLO Cn1cc(N2CCC[C@H]([NH+]3C[C@@H](O)[C@H](O)C3)C2=O)cn1 ZINC000278897964 527245428 /nfs/dbraw/zinc/24/54/28/527245428.db2.gz VAENKFDNHKUNKM-QJPTWQEYSA-N 1 2 280.328 -1.047 20 0 CAADLO Cn1cc(N2CCC[C@H]([N@H+]3C[C@@H](O)[C@@H](O)C3)C2=O)cn1 ZINC000278897968 527245612 /nfs/dbraw/zinc/24/56/12/527245612.db2.gz VAENKFDNHKUNKM-SDDRHHMPSA-N 1 2 280.328 -1.047 20 0 CAADLO Cn1cc(N2CCC[C@H]([N@@H+]3C[C@@H](O)[C@@H](O)C3)C2=O)cn1 ZINC000278897968 527245618 /nfs/dbraw/zinc/24/56/18/527245618.db2.gz VAENKFDNHKUNKM-SDDRHHMPSA-N 1 2 280.328 -1.047 20 0 CAADLO NS(=O)(=O)N1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC000040380800 527296834 /nfs/dbraw/zinc/29/68/34/527296834.db2.gz YVGWODQKCDUNLY-UHFFFAOYSA-N 1 2 287.345 -1.379 20 0 CAADLO Cn1ccc(N2CCC[C@H]([N@H+]3C[C@@H](O)[C@@H](O)C3)C2=O)n1 ZINC000278917199 527362576 /nfs/dbraw/zinc/36/25/76/527362576.db2.gz WJYPDNZFDFFLKU-GARJFASQSA-N 1 2 280.328 -1.047 20 0 CAADLO Cn1ccc(N2CCC[C@H]([N@@H+]3C[C@@H](O)[C@@H](O)C3)C2=O)n1 ZINC000278917199 527362580 /nfs/dbraw/zinc/36/25/80/527362580.db2.gz WJYPDNZFDFFLKU-GARJFASQSA-N 1 2 280.328 -1.047 20 0 CAADLO Cn1ccc(N2CCC[C@@H]([N@H+]3C[C@@H](O)[C@@H](O)C3)C2=O)n1 ZINC000278917201 527362720 /nfs/dbraw/zinc/36/27/20/527362720.db2.gz WJYPDNZFDFFLKU-MXWKQRLJSA-N 1 2 280.328 -1.047 20 0 CAADLO Cn1ccc(N2CCC[C@@H]([N@@H+]3C[C@@H](O)[C@@H](O)C3)C2=O)n1 ZINC000278917201 527362724 /nfs/dbraw/zinc/36/27/24/527362724.db2.gz WJYPDNZFDFFLKU-MXWKQRLJSA-N 1 2 280.328 -1.047 20 0 CAADLO Cn1cncc1C(=O)NCCC[N@@H+]1CCNC(=O)C1 ZINC000289970884 527503991 /nfs/dbraw/zinc/50/39/91/527503991.db2.gz ZDLXSMDESCDTBQ-UHFFFAOYSA-N 1 2 265.317 -1.028 20 0 CAADLO Cn1cncc1C(=O)NCCC[N@H+]1CCNC(=O)C1 ZINC000289970884 527503998 /nfs/dbraw/zinc/50/39/98/527503998.db2.gz ZDLXSMDESCDTBQ-UHFFFAOYSA-N 1 2 265.317 -1.028 20 0 CAADLO OC[C@@H](O)CNc1nc(NC[C@H](O)CO)c(Cl)c[nH+]1 ZINC000275879781 527583914 /nfs/dbraw/zinc/58/39/14/527583914.db2.gz WNNICTTYGOOMPN-BQBZGAKWSA-N 1 2 292.723 -1.340 20 0 CAADLO Cn1nccc1CC[NH+]1CCN(S(N)(=O)=O)CC1 ZINC000276347832 527604593 /nfs/dbraw/zinc/60/45/93/527604593.db2.gz VQPVNVCTZJTBBA-UHFFFAOYSA-N 1 2 273.362 -1.216 20 0 CAADLO Cn1nncc1C(=O)NCCC[N@@H+]1CCNC(=O)C1 ZINC000336978582 527649126 /nfs/dbraw/zinc/64/91/26/527649126.db2.gz ZZVPEANOCHPNJM-UHFFFAOYSA-N 1 2 266.305 -1.633 20 0 CAADLO Cn1nncc1C(=O)NCCC[N@H+]1CCNC(=O)C1 ZINC000336978582 527649130 /nfs/dbraw/zinc/64/91/30/527649130.db2.gz ZZVPEANOCHPNJM-UHFFFAOYSA-N 1 2 266.305 -1.633 20 0 CAADLO CC[N@@H+]1CCOC[C@H]1C(=O)N1CCO[C@H](C(N)=O)C1 ZINC000347693913 527722053 /nfs/dbraw/zinc/72/20/53/527722053.db2.gz XTDGVCYDHYJMBA-UWVGGRQHSA-N 1 2 271.317 -1.580 20 0 CAADLO CC[N@H+]1CCOC[C@H]1C(=O)N1CCO[C@H](C(N)=O)C1 ZINC000347693913 527722054 /nfs/dbraw/zinc/72/20/54/527722054.db2.gz XTDGVCYDHYJMBA-UWVGGRQHSA-N 1 2 271.317 -1.580 20 0 CAADLO CC[N@@H+]1CCO[C@H](C(=O)N2CC(S(C)(=O)=O)C2)C1 ZINC000456977574 527734025 /nfs/dbraw/zinc/73/40/25/527734025.db2.gz YXGXWFBTYVZVQD-JTQLQIEISA-N 1 2 276.358 -1.038 20 0 CAADLO CC[N@H+]1CCO[C@H](C(=O)N2CC(S(C)(=O)=O)C2)C1 ZINC000456977574 527734030 /nfs/dbraw/zinc/73/40/30/527734030.db2.gz YXGXWFBTYVZVQD-JTQLQIEISA-N 1 2 276.358 -1.038 20 0 CAADLO CC(C)NS(=O)(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000352014344 527742204 /nfs/dbraw/zinc/74/22/04/527742204.db2.gz PKHHDVLKSHXDBF-LLVKDONJSA-N 1 2 295.405 -1.146 20 0 CAADLO CC[N@H+](C)CCNS(=O)(=O)N1CCS(=O)(=O)CC1 ZINC000354537695 527799311 /nfs/dbraw/zinc/79/93/11/527799311.db2.gz QTYKIHVXKSWOOD-UHFFFAOYSA-N 1 2 299.418 -1.497 20 0 CAADLO CC[N@@H+](C)CCNS(=O)(=O)N1CCS(=O)(=O)CC1 ZINC000354537695 527799317 /nfs/dbraw/zinc/79/93/17/527799317.db2.gz QTYKIHVXKSWOOD-UHFFFAOYSA-N 1 2 299.418 -1.497 20 0 CAADLO CCN(C)S(=O)(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000179059097 527853999 /nfs/dbraw/zinc/85/39/99/527853999.db2.gz BBJGDPIRHSTUAT-JTQLQIEISA-N 1 2 262.379 -1.228 20 0 CAADLO CC(C)OCC(=O)NCC(=O)NCC[NH+]1CCOCC1 ZINC000347888671 527887722 /nfs/dbraw/zinc/88/77/22/527887722.db2.gz DEINRMGNBRPQRH-UHFFFAOYSA-N 1 2 287.360 -1.024 20 0 CAADLO CC[N@H+](CC(=O)N1CCNC(=O)C1)[C@@H]1CCNC1=O ZINC000333298820 527898067 /nfs/dbraw/zinc/89/80/67/527898067.db2.gz MAAHABRNKAVATE-SECBINFHSA-N 1 2 268.317 -1.845 20 0 CAADLO CC[N@@H+](CC(=O)N1CCNC(=O)C1)[C@@H]1CCNC1=O ZINC000333298820 527898069 /nfs/dbraw/zinc/89/80/69/527898069.db2.gz MAAHABRNKAVATE-SECBINFHSA-N 1 2 268.317 -1.845 20 0 CAADLO CC[N@H+](CC(=O)N1CCN(C(C)=O)CC1)[C@@H]1CCNC1=O ZINC000333314913 527898136 /nfs/dbraw/zinc/89/81/36/527898136.db2.gz ORSQIIFXKLAAQY-GFCCVEGCSA-N 1 2 296.371 -1.113 20 0 CAADLO CC[N@@H+](CC(=O)N1CCN(C(C)=O)CC1)[C@@H]1CCNC1=O ZINC000333314913 527898138 /nfs/dbraw/zinc/89/81/38/527898138.db2.gz ORSQIIFXKLAAQY-GFCCVEGCSA-N 1 2 296.371 -1.113 20 0 CAADLO CCN(CC(=O)NC(C)C)C(=O)C[NH+]1C[C@@H](O)[C@H](O)C1 ZINC000233453793 527904128 /nfs/dbraw/zinc/90/41/28/527904128.db2.gz YCLLHIDSTCMMHE-GHMZBOCLSA-N 1 2 287.360 -1.603 20 0 CAADLO CCN1CN(C[C@@H](O)C[NH+]2CCOCC2)CC1=O ZINC000191523397 527911802 /nfs/dbraw/zinc/91/18/02/527911802.db2.gz ZMCOXQSSCHMANS-NSHDSACASA-N 1 2 257.334 -1.199 20 0 CAADLO CCC[N@H+](CC(N)=O)CC(=O)N1CCNC(=O)C1 ZINC000429148799 527942460 /nfs/dbraw/zinc/94/24/60/527942460.db2.gz FLEFNOWYSWASNR-UHFFFAOYSA-N 1 2 256.306 -1.858 20 0 CAADLO CCC[N@@H+](CC(N)=O)CC(=O)N1CCNC(=O)C1 ZINC000429148799 527942467 /nfs/dbraw/zinc/94/24/67/527942467.db2.gz FLEFNOWYSWASNR-UHFFFAOYSA-N 1 2 256.306 -1.858 20 0 CAADLO CCC[N@H+](CC(N)=O)CC(=O)N[C@@H](C)C(=O)N(C)C ZINC000429190395 527941709 /nfs/dbraw/zinc/94/17/09/527941709.db2.gz NBIXYNGSUUVYAI-VIFPVBQESA-N 1 2 272.349 -1.223 20 0 CAADLO CCC[N@@H+](CC(N)=O)CC(=O)N[C@@H](C)C(=O)N(C)C ZINC000429190395 527941712 /nfs/dbraw/zinc/94/17/12/527941712.db2.gz NBIXYNGSUUVYAI-VIFPVBQESA-N 1 2 272.349 -1.223 20 0 CAADLO CCC[N@H+](CC(N)=O)CC(=O)NCCC(=O)OC ZINC000429141579 527942098 /nfs/dbraw/zinc/94/20/98/527942098.db2.gz JWWAJWHBWUEODQ-UHFFFAOYSA-N 1 2 259.306 -1.137 20 0 CAADLO CCC[N@@H+](CC(N)=O)CC(=O)NCCC(=O)OC ZINC000429141579 527942102 /nfs/dbraw/zinc/94/21/02/527942102.db2.gz JWWAJWHBWUEODQ-UHFFFAOYSA-N 1 2 259.306 -1.137 20 0 CAADLO CCN(CC(N)=O)S(=O)(=O)CCC[NH+]1CCOCC1 ZINC000353786535 527981371 /nfs/dbraw/zinc/98/13/71/527981371.db2.gz HSYBBTQPRIFGDA-UHFFFAOYSA-N 1 2 293.389 -1.154 20 0 CAADLO CCO[C@H](C)C(=O)NCC(=O)NCC[NH+]1CCOCC1 ZINC000347894420 528001530 /nfs/dbraw/zinc/00/15/30/528001530.db2.gz YDEMVSHSHSLDNA-LLVKDONJSA-N 1 2 287.360 -1.024 20 0 CAADLO CC1(O)CC(C(=O)N[C@H](CO)C[NH+]2CCOCC2)C1 ZINC000331869761 528039018 /nfs/dbraw/zinc/03/90/18/528039018.db2.gz LRCYGGYYSWJSMC-AKJDGMEZSA-N 1 2 272.345 -1.043 20 0 CAADLO CC(C)CNC(=O)NC(=O)C[N@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000093092680 528046227 /nfs/dbraw/zinc/04/62/27/528046227.db2.gz BZQFTQSZDRDBQH-DTORHVGOSA-N 1 2 259.306 -1.494 20 0 CAADLO CC(C)CNC(=O)NC(=O)C[N@@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000093092680 528046230 /nfs/dbraw/zinc/04/62/30/528046230.db2.gz BZQFTQSZDRDBQH-DTORHVGOSA-N 1 2 259.306 -1.494 20 0 CAADLO CCC[N@H+](CCNS(C)(=O)=O)CC(=O)NC ZINC000107367719 528086345 /nfs/dbraw/zinc/08/63/45/528086345.db2.gz MEUJGLUQPWWONY-UHFFFAOYSA-N 1 2 251.352 -1.006 20 0 CAADLO CCC[N@@H+](CCNS(C)(=O)=O)CC(=O)NC ZINC000107367719 528086355 /nfs/dbraw/zinc/08/63/55/528086355.db2.gz MEUJGLUQPWWONY-UHFFFAOYSA-N 1 2 251.352 -1.006 20 0 CAADLO CCNC(=O)C[NH+]1CCN(Cc2nc(N)nc(N)n2)CC1 ZINC000029670854 528092827 /nfs/dbraw/zinc/09/28/27/528092827.db2.gz PWABRXCYCREEED-UHFFFAOYSA-N 1 2 294.363 -1.710 20 0 CAADLO CCOC(=O)[C@](C)(O)C[N@@H+]1C[C@@H](O)C[C@H]1C(=O)OC ZINC000352046679 528102740 /nfs/dbraw/zinc/10/27/40/528102740.db2.gz VJMGJFZCJHQVLS-HOTUBEGUSA-N 1 2 275.301 -1.091 20 0 CAADLO CCOC(=O)[C@](C)(O)C[N@H+]1C[C@@H](O)C[C@H]1C(=O)OC ZINC000352046679 528102746 /nfs/dbraw/zinc/10/27/46/528102746.db2.gz VJMGJFZCJHQVLS-HOTUBEGUSA-N 1 2 275.301 -1.091 20 0 CAADLO CCO[C@H]1C[C@@H]1C(=O)NCC(=O)NCC[NH+]1CCOCC1 ZINC000347885707 528111716 /nfs/dbraw/zinc/11/17/16/528111716.db2.gz CHRHTTJFBDLBEX-RYUDHWBXSA-N 1 2 299.371 -1.024 20 0 CAADLO CCC[C@H](NC(=O)CN1CC[NH2+]CC1=O)c1nn[nH]n1 ZINC000162076644 528176822 /nfs/dbraw/zinc/17/68/22/528176822.db2.gz LGTMFUSTGWWLEO-QMMMGPOBSA-N 1 2 281.320 -1.411 20 0 CAADLO CCNC(=O)[C@@H](C)NC(=O)CN1CC[NH2+]CC1=O ZINC000429760584 528189521 /nfs/dbraw/zinc/18/95/21/528189521.db2.gz NFMHELJQFRBFQW-MRVPVSSYSA-N 1 2 256.306 -1.941 20 0 CAADLO CCC(=O)CC[N@@H+]1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC000190281114 528291349 /nfs/dbraw/zinc/29/13/49/528291349.db2.gz SXGQLGJHJCHRHU-VIFPVBQESA-N 1 2 253.302 -1.002 20 0 CAADLO CCC(=O)CC[N@H+]1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC000190281114 528291357 /nfs/dbraw/zinc/29/13/57/528291357.db2.gz SXGQLGJHJCHRHU-VIFPVBQESA-N 1 2 253.302 -1.002 20 0 CAADLO CCC(=O)CC[N@@H+]1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC000190281093 528291490 /nfs/dbraw/zinc/29/14/90/528291490.db2.gz SXGQLGJHJCHRHU-SECBINFHSA-N 1 2 253.302 -1.002 20 0 CAADLO CCC(=O)CC[N@H+]1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC000190281093 528291495 /nfs/dbraw/zinc/29/14/95/528291495.db2.gz SXGQLGJHJCHRHU-SECBINFHSA-N 1 2 253.302 -1.002 20 0 CAADLO CCNS(=O)(=O)NC[C@](C)(O)C[NH+]1CCOCC1 ZINC000443248810 528364396 /nfs/dbraw/zinc/36/43/96/528364396.db2.gz LKLKSMHUYJYCSM-JTQLQIEISA-N 1 2 281.378 -1.487 20 0 CAADLO CCNS(=O)(=O)[C@H]1CC[N@H+](CC(=O)NC(=O)NC)C1 ZINC000362639217 528373847 /nfs/dbraw/zinc/37/38/47/528373847.db2.gz KMKZGKQKGJYMPB-QMMMGPOBSA-N 1 2 292.361 -1.544 20 0 CAADLO CCNS(=O)(=O)[C@H]1CC[N@@H+](CC(=O)NC(=O)NC)C1 ZINC000362639217 528373851 /nfs/dbraw/zinc/37/38/51/528373851.db2.gz KMKZGKQKGJYMPB-QMMMGPOBSA-N 1 2 292.361 -1.544 20 0 CAADLO CCCNC(=O)CN(C)C(=O)C[N@H+](C)[C@@H]1COC[C@H]1O ZINC000352800738 528374564 /nfs/dbraw/zinc/37/45/64/528374564.db2.gz IECIIPZISBBECA-GHMZBOCLSA-N 1 2 287.360 -1.338 20 0 CAADLO CCCNC(=O)CN(C)C(=O)C[N@@H+](C)[C@@H]1COC[C@H]1O ZINC000352800738 528374569 /nfs/dbraw/zinc/37/45/69/528374569.db2.gz IECIIPZISBBECA-GHMZBOCLSA-N 1 2 287.360 -1.338 20 0 CAADLO CCCNC(=O)CN(C)C(=O)C[N@H+](C)[C@H]1COC[C@@H]1O ZINC000352800740 528374722 /nfs/dbraw/zinc/37/47/22/528374722.db2.gz IECIIPZISBBECA-QWRGUYRKSA-N 1 2 287.360 -1.338 20 0 CAADLO CCCNC(=O)CN(C)C(=O)C[N@@H+](C)[C@H]1COC[C@@H]1O ZINC000352800740 528374728 /nfs/dbraw/zinc/37/47/28/528374728.db2.gz IECIIPZISBBECA-QWRGUYRKSA-N 1 2 287.360 -1.338 20 0 CAADLO CCNS(=O)(=O)[C@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC000092843728 528375572 /nfs/dbraw/zinc/37/55/72/528375572.db2.gz CIDCWGRAFCICNG-DTWKUNHWSA-N 1 2 261.347 -1.112 20 0 CAADLO CCNS(=O)(=O)[C@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC000092843728 528375575 /nfs/dbraw/zinc/37/55/75/528375575.db2.gz CIDCWGRAFCICNG-DTWKUNHWSA-N 1 2 261.347 -1.112 20 0 CAADLO CCCNC(=O)C[C@@H](C(N)=O)[N@H+](CCC)CC(N)=O ZINC000180600853 528407094 /nfs/dbraw/zinc/40/70/94/528407094.db2.gz BCZLAJCSZUHJPM-VIFPVBQESA-N 1 2 272.349 -1.046 20 0 CAADLO CCCNC(=O)C[C@@H](C(N)=O)[N@@H+](CCC)CC(N)=O ZINC000180600853 528407099 /nfs/dbraw/zinc/40/70/99/528407099.db2.gz BCZLAJCSZUHJPM-VIFPVBQESA-N 1 2 272.349 -1.046 20 0 CAADLO CCCNC(=O)C[C@H](C(N)=O)[N@H+](CCC)CC(N)=O ZINC000180600871 528407916 /nfs/dbraw/zinc/40/79/16/528407916.db2.gz BCZLAJCSZUHJPM-SECBINFHSA-N 1 2 272.349 -1.046 20 0 CAADLO CCCNC(=O)C[C@H](C(N)=O)[N@@H+](CCC)CC(N)=O ZINC000180600871 528407919 /nfs/dbraw/zinc/40/79/19/528407919.db2.gz BCZLAJCSZUHJPM-SECBINFHSA-N 1 2 272.349 -1.046 20 0 CAADLO CCCCNC(=O)CC[N@@H+]1CCN(CC(N)=O)C(=O)C1 ZINC000459698705 528497845 /nfs/dbraw/zinc/49/78/45/528497845.db2.gz LAHBXMJLUFSERL-UHFFFAOYSA-N 1 2 284.360 -1.078 20 0 CAADLO CCCCNC(=O)CC[N@H+]1CCN(CC(N)=O)C(=O)C1 ZINC000459698705 528497849 /nfs/dbraw/zinc/49/78/49/528497849.db2.gz LAHBXMJLUFSERL-UHFFFAOYSA-N 1 2 284.360 -1.078 20 0 CAADLO CCCCNC(=O)NC(=O)C[NH+]1C[C@H](O)[C@@H](O)C1 ZINC000232970417 528518311 /nfs/dbraw/zinc/51/83/11/528518311.db2.gz XGEVFHMWJPKKQA-IUCAKERBSA-N 1 2 259.306 -1.350 20 0 CAADLO CCN(CCO)C(=O)C(=O)N1CC[NH+](CC)CC1 ZINC000170388243 528520856 /nfs/dbraw/zinc/52/08/56/528520856.db2.gz HYQZFHWRWLYGAM-UHFFFAOYSA-N 1 2 257.334 -1.009 20 0 CAADLO CCCNS(=O)(=O)N1CC[NH+](CCO)CC1 ZINC000160654815 528522683 /nfs/dbraw/zinc/52/26/83/528522683.db2.gz OQJCJIROWTYGAP-UHFFFAOYSA-N 1 2 251.352 -1.159 20 0 CAADLO CCCNS(=O)(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000489696473 528526826 /nfs/dbraw/zinc/52/68/26/528526826.db2.gz OAOGUVURRCJVFN-SNVBAGLBSA-N 1 2 262.379 -1.180 20 0 CAADLO CN(C)C(=O)CN1CCO[C@H]2C[N@H+](CC(=O)N(C)C)C[C@@H]21 ZINC001275199181 782167273 /nfs/dbraw/zinc/16/72/73/782167273.db2.gz HQBMUFNXEZTHIN-RYUDHWBXSA-N 1 2 298.387 -1.452 20 0 CAADLO CN(C)C(=O)CN1CCO[C@H]2C[N@@H+](CC(=O)N(C)C)C[C@@H]21 ZINC001275199181 782167279 /nfs/dbraw/zinc/16/72/79/782167279.db2.gz HQBMUFNXEZTHIN-RYUDHWBXSA-N 1 2 298.387 -1.452 20 0 CAADLO Cn1c[nH+]c(CCNC(=O)CN2C(=O)C(=O)N(C)C2=O)c1 ZINC001275174582 782167392 /nfs/dbraw/zinc/16/73/92/782167392.db2.gz QMUGWMSVUYAWPS-UHFFFAOYSA-N 1 2 293.283 -1.501 20 0 CAADLO CCOC(=O)CN(C)C(=O)C[N@H+](C)[C@H]1COC[C@@H]1O ZINC000352791474 528781643 /nfs/dbraw/zinc/78/16/43/528781643.db2.gz IGLLPAHGDTYVSA-UWVGGRQHSA-N 1 2 274.317 -1.301 20 0 CAADLO CCOC(=O)CN(C)C(=O)C[N@@H+](C)[C@H]1COC[C@@H]1O ZINC000352791474 528781647 /nfs/dbraw/zinc/78/16/47/528781647.db2.gz IGLLPAHGDTYVSA-UWVGGRQHSA-N 1 2 274.317 -1.301 20 0 CAADLO CCOC(=O)CN(C)C(=O)C[N@H+](C)[C@H]1COC[C@H]1O ZINC000352791475 528783103 /nfs/dbraw/zinc/78/31/03/528783103.db2.gz IGLLPAHGDTYVSA-VHSXEESVSA-N 1 2 274.317 -1.301 20 0 CAADLO CCOC(=O)CN(C)C(=O)C[N@@H+](C)[C@H]1COC[C@H]1O ZINC000352791475 528783106 /nfs/dbraw/zinc/78/31/06/528783106.db2.gz IGLLPAHGDTYVSA-VHSXEESVSA-N 1 2 274.317 -1.301 20 0 CAADLO CCOC(=O)CN(C)C(=O)C[N@@H+]1C[C@@H](O)[C@H](OC)C1 ZINC000451746386 528785779 /nfs/dbraw/zinc/78/57/79/528785779.db2.gz CPTHTYJHLJGPAJ-NXEZZACHSA-N 1 2 274.317 -1.301 20 0 CAADLO CCOC(=O)CN(C)C(=O)C[N@H+]1C[C@@H](O)[C@H](OC)C1 ZINC000451746386 528785784 /nfs/dbraw/zinc/78/57/84/528785784.db2.gz CPTHTYJHLJGPAJ-NXEZZACHSA-N 1 2 274.317 -1.301 20 0 CAADLO CC(C)N(C)C(=O)[C@@H](C)[N@@H+]1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC000248130995 528802968 /nfs/dbraw/zinc/80/29/68/528802968.db2.gz OKUFPZWGRTYERM-MNOVXSKESA-N 1 2 296.371 -1.116 20 0 CAADLO CC(C)N(C)C(=O)[C@@H](C)[N@H+]1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC000248130995 528802971 /nfs/dbraw/zinc/80/29/71/528802971.db2.gz OKUFPZWGRTYERM-MNOVXSKESA-N 1 2 296.371 -1.116 20 0 CAADLO CCOC(=O)COCC[NH+]1CCN(S(N)(=O)=O)CC1 ZINC000347755706 528821672 /nfs/dbraw/zinc/82/16/72/528821672.db2.gz NHXFVDMJCUCGLF-UHFFFAOYSA-N 1 2 295.361 -1.613 20 0 CAADLO CCOC(=O)COCC[N@@H+]1CCO[C@H](C(N)=O)C1 ZINC000347756748 528824749 /nfs/dbraw/zinc/82/47/49/528824749.db2.gz OGUNKMFYCQNPAJ-VIFPVBQESA-N 1 2 260.290 -1.248 20 0 CAADLO CCOC(=O)COCC[N@H+]1CCO[C@H](C(N)=O)C1 ZINC000347756748 528824752 /nfs/dbraw/zinc/82/47/52/528824752.db2.gz OGUNKMFYCQNPAJ-VIFPVBQESA-N 1 2 260.290 -1.248 20 0 CAADLO CCOCCS(=O)(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000179056294 528855809 /nfs/dbraw/zinc/85/58/09/528855809.db2.gz FQGZFBGIOMQNPR-NSHDSACASA-N 1 2 277.390 -1.058 20 0 CAADLO CCC[C@@H](O)C[NH+]1CCN(S(N)(=O)=O)CC1 ZINC000450390835 529025424 /nfs/dbraw/zinc/02/54/24/529025424.db2.gz MPKSULZUOXNTOJ-SECBINFHSA-N 1 2 251.352 -1.032 20 0 CAADLO CCOC(=O)NCC(=O)N[C@@H](CO)C[NH+]1CCOCC1 ZINC000495662016 529041550 /nfs/dbraw/zinc/04/15/50/529041550.db2.gz OUCNEQXILDMKRG-SNVBAGLBSA-N 1 2 289.332 -1.458 20 0 CAADLO CC(C)N1C[C@@H](NC(=O)CN2CC[NH2+]CC2=O)CC1=O ZINC000430242705 529093429 /nfs/dbraw/zinc/09/34/29/529093429.db2.gz SIKUIQAACZQFNS-JTQLQIEISA-N 1 2 282.344 -1.456 20 0 CAADLO CCO[C@@H](C)C(=O)NCC(=O)NCC[NH+]1CCOCC1 ZINC000347894422 529095697 /nfs/dbraw/zinc/09/56/97/529095697.db2.gz YDEMVSHSHSLDNA-NSHDSACASA-N 1 2 287.360 -1.024 20 0 CAADLO CC[NH+]1CCN(C(=O)C(=O)N(C)CCCO)CC1 ZINC000459824474 529110644 /nfs/dbraw/zinc/11/06/44/529110644.db2.gz WGSCAXOMAPGLNI-UHFFFAOYSA-N 1 2 257.334 -1.009 20 0 CAADLO CC[NH+]1CCN(C(=O)C(=O)N(C)CCOCCO)CC1 ZINC000459803504 529110686 /nfs/dbraw/zinc/11/06/86/529110686.db2.gz CAMFEBJDJXCOJG-UHFFFAOYSA-N 1 2 287.360 -1.382 20 0 CAADLO CC(C)Nc1nc(NCCO)[nH+]c(NCCC[C@@H](C)O)n1 ZINC000343098864 529111511 /nfs/dbraw/zinc/11/15/11/529111511.db2.gz MBLSEAULLVBKSE-SNVBAGLBSA-N 1 2 298.391 -1.065 20 0 CAADLO CC(C)Nc1nc(NCCO)nc(NCCC[C@@H](C)O)[nH+]1 ZINC000343098864 529111514 /nfs/dbraw/zinc/11/15/14/529111514.db2.gz MBLSEAULLVBKSE-SNVBAGLBSA-N 1 2 298.391 -1.065 20 0 CAADLO CC(C)Nc1nc(NCCC[C@@H](C)O)nc(NCCO)[nH+]1 ZINC000343098864 529111515 /nfs/dbraw/zinc/11/15/15/529111515.db2.gz MBLSEAULLVBKSE-SNVBAGLBSA-N 1 2 298.391 -1.065 20 0 CAADLO CC[NH+]1CCN(C(=O)C(=O)N2CC(=O)N(C)[C@@H](C)C2)CC1 ZINC000459813528 529113870 /nfs/dbraw/zinc/11/38/70/529113870.db2.gz LJBAUOQGBMHIRN-NSHDSACASA-N 1 2 296.371 -1.160 20 0 CAADLO CC(C)Nc1nc(N2C[C@@H](O)C[C@H]2C)nc(NCCO)[nH+]1 ZINC000343221752 529115168 /nfs/dbraw/zinc/11/51/68/529115168.db2.gz CVPNDHOTTKLNRG-ZJUUUORDSA-N 1 2 296.375 -1.101 20 0 CAADLO CC(C)Nc1nc(NCCO)[nH+]c(N2C[C@@H](O)C[C@H]2C)n1 ZINC000343221752 529115170 /nfs/dbraw/zinc/11/51/70/529115170.db2.gz CVPNDHOTTKLNRG-ZJUUUORDSA-N 1 2 296.375 -1.101 20 0 CAADLO CC(C)Nc1nc(NCCO)nc(N2C[C@@H](O)C[C@H]2C)[nH+]1 ZINC000343221752 529115172 /nfs/dbraw/zinc/11/51/72/529115172.db2.gz CVPNDHOTTKLNRG-ZJUUUORDSA-N 1 2 296.375 -1.101 20 0 CAADLO CC[NH+]1CCN(C(=O)C(=O)N2CCN(C)CC2)CC1 ZINC000170366770 529116045 /nfs/dbraw/zinc/11/60/45/529116045.db2.gz BQAGNXWXKPTNHS-UHFFFAOYSA-N 1 2 268.361 -1.076 20 0 CAADLO CC1(C)C[N@H+](CCNC(=O)CN2CCNCC2=O)CCO1 ZINC000431068143 529117490 /nfs/dbraw/zinc/11/74/90/529117490.db2.gz XUTMOHBBOVFGHS-UHFFFAOYSA-N 1 2 298.387 -1.355 20 0 CAADLO CC1(C)C[N@@H+](CCNC(=O)CN2CCNCC2=O)CCO1 ZINC000431068143 529117493 /nfs/dbraw/zinc/11/74/93/529117493.db2.gz XUTMOHBBOVFGHS-UHFFFAOYSA-N 1 2 298.387 -1.355 20 0 CAADLO CC1(C)C[N@H+](CCNC(=O)Cn2cn[nH]c2=O)CCO1 ZINC000189380886 529118522 /nfs/dbraw/zinc/11/85/22/529118522.db2.gz SZEXGJAENRSILS-UHFFFAOYSA-N 1 2 283.332 -1.202 20 0 CAADLO CC1(C)C[N@@H+](CCNC(=O)Cn2cn[nH]c2=O)CCO1 ZINC000189380886 529118524 /nfs/dbraw/zinc/11/85/24/529118524.db2.gz SZEXGJAENRSILS-UHFFFAOYSA-N 1 2 283.332 -1.202 20 0 CAADLO CC[NH+]1CCN(C(=O)C(=O)N2C[C@@H](C)O[C@H](CO)C2)CC1 ZINC000459819584 529118904 /nfs/dbraw/zinc/11/89/04/529118904.db2.gz RNYRBKZDUCRBCR-NEPJUHHUSA-N 1 2 299.371 -1.241 20 0 CAADLO CC[NH+]1CCN(C(=O)C(=O)N2C[C@@H](C)O[C@@H](CO)C2)CC1 ZINC000459819603 529119090 /nfs/dbraw/zinc/11/90/90/529119090.db2.gz RNYRBKZDUCRBCR-VXGBXAGGSA-N 1 2 299.371 -1.241 20 0 CAADLO CC(C)NC(=O)C[N@H+](C)CC(=O)N1CC(CO)C1 ZINC000332078396 529126975 /nfs/dbraw/zinc/12/69/75/529126975.db2.gz YBQFXXQHLXRWQB-UHFFFAOYSA-N 1 2 257.334 -1.107 20 0 CAADLO CC(C)NC(=O)C[N@@H+](C)CC(=O)N1CC(CO)C1 ZINC000332078396 529126976 /nfs/dbraw/zinc/12/69/76/529126976.db2.gz YBQFXXQHLXRWQB-UHFFFAOYSA-N 1 2 257.334 -1.107 20 0 CAADLO CC(C)NC(=O)CNC(=O)CN1CC[NH2+]CC1=O ZINC000150755571 529131005 /nfs/dbraw/zinc/13/10/05/529131005.db2.gz ZTZFRACEGMNFBH-UHFFFAOYSA-N 1 2 256.306 -1.941 20 0 CAADLO CCN1CCN(CC(=O)Nc2cc[nH+]cc2O)C(=O)C1=O ZINC000358360832 529137587 /nfs/dbraw/zinc/13/75/87/529137587.db2.gz VKFNIVWBAFZDKJ-UHFFFAOYSA-N 1 2 292.295 -1.162 20 0 CAADLO CC[C@@H](O)C[NH+]1CCN(S(=O)(=O)NC)CC1 ZINC000429251941 529229537 /nfs/dbraw/zinc/22/95/37/529229537.db2.gz JKLKBXYPHHRHPV-SECBINFHSA-N 1 2 251.352 -1.161 20 0 CAADLO CC[C@@H](O)CNc1nc(NC[C@@H](O)CC)nc(NC)[nH+]1 ZINC000420633507 529230535 /nfs/dbraw/zinc/23/05/35/529230535.db2.gz YPMUPBJDRHRMDE-DTORHVGOSA-N 1 2 284.364 -1.455 20 0 CAADLO CC[C@@H](O)CNc1nc(NC)[nH+]c(NC[C@@H](O)CC)n1 ZINC000420633507 529230538 /nfs/dbraw/zinc/23/05/38/529230538.db2.gz YPMUPBJDRHRMDE-DTORHVGOSA-N 1 2 284.364 -1.455 20 0 CAADLO CC[C@@H](O)CNc1nc(NC)nc(NC[C@@H](O)CC)[nH+]1 ZINC000420633507 529230539 /nfs/dbraw/zinc/23/05/39/529230539.db2.gz YPMUPBJDRHRMDE-DTORHVGOSA-N 1 2 284.364 -1.455 20 0 CAADLO CC[C@H](C)[C@H](O)CNC(=O)CN1CC[NH2+]CC1=O ZINC000157852920 529261413 /nfs/dbraw/zinc/26/14/13/529261413.db2.gz WVMCBFBONKIMAS-VHSXEESVSA-N 1 2 257.334 -1.059 20 0 CAADLO CC[C@](C)(NC(=O)CN1CC[NH2+]CC1=O)C(=O)OC ZINC000430266825 529366696 /nfs/dbraw/zinc/36/66/96/529366696.db2.gz IAWBXMNFKXSOAH-LBPRGKRZSA-N 1 2 271.317 -1.124 20 0 CAADLO CC[C@H](C(=O)N[C@H](CO)C(N)=O)[N@@H+]1CCO[C@H](CC)C1 ZINC000341744770 536095700 /nfs/dbraw/zinc/09/57/00/536095700.db2.gz IEKGLVHJQPTATN-GMTAPVOTSA-N 1 2 287.360 -1.162 20 0 CAADLO CC[C@H](C(=O)N[C@H](CO)C(N)=O)[N@H+]1CCO[C@H](CC)C1 ZINC000341744770 536095706 /nfs/dbraw/zinc/09/57/06/536095706.db2.gz IEKGLVHJQPTATN-GMTAPVOTSA-N 1 2 287.360 -1.162 20 0 CAADLO C[NH+]1CCN(C(=O)C(=O)Nc2cccc(C(N)=O)n2)CC1 ZINC000342117850 536399848 /nfs/dbraw/zinc/39/98/48/536399848.db2.gz YFPZQGPSUFSUSS-UHFFFAOYSA-N 1 2 291.311 -1.107 20 0 CAADLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)[C@H]1CN(C)C(=O)N1 ZINC000668395107 545498455 /nfs/dbraw/zinc/49/84/55/545498455.db2.gz BRNDOHZGWAGKOQ-GHMZBOCLSA-N 1 2 283.376 -1.238 20 0 CAADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1CCNC1=O ZINC000668255296 545497189 /nfs/dbraw/zinc/49/71/89/545497189.db2.gz XFKNKVRBSJUXLP-NXEZZACHSA-N 1 2 255.318 -1.041 20 0 CAADLO C[C@@H]1COCC[N@H+]1CCNC(=O)[C@@H]1CCNC1=O ZINC000668255296 545497192 /nfs/dbraw/zinc/49/71/92/545497192.db2.gz XFKNKVRBSJUXLP-NXEZZACHSA-N 1 2 255.318 -1.041 20 0 CAADLO C[C@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC000668255321 545497303 /nfs/dbraw/zinc/49/73/03/545497303.db2.gz XTNCQTPZIJKQHE-UWVGGRQHSA-N 1 2 270.333 -1.153 20 0 CAADLO C[C@H]1COCC[N@H+]1CCNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC000668255321 545497304 /nfs/dbraw/zinc/49/73/04/545497304.db2.gz XTNCQTPZIJKQHE-UWVGGRQHSA-N 1 2 270.333 -1.153 20 0 CAADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)C1(n2cnnn2)CC1 ZINC000668253548 545497308 /nfs/dbraw/zinc/49/73/08/545497308.db2.gz FVDWVEJXLDPKRM-SNVBAGLBSA-N 1 2 280.332 -1.001 20 0 CAADLO C[C@@H]1COCC[N@H+]1CCNC(=O)C1(n2cnnn2)CC1 ZINC000668253548 545497309 /nfs/dbraw/zinc/49/73/09/545497309.db2.gz FVDWVEJXLDPKRM-SNVBAGLBSA-N 1 2 280.332 -1.001 20 0 CAADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC000668255323 545497311 /nfs/dbraw/zinc/49/73/11/545497311.db2.gz XTNCQTPZIJKQHE-ZJUUUORDSA-N 1 2 270.333 -1.153 20 0 CAADLO C[C@@H]1COCC[N@H+]1CCNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC000668255323 545497312 /nfs/dbraw/zinc/49/73/12/545497312.db2.gz XTNCQTPZIJKQHE-ZJUUUORDSA-N 1 2 270.333 -1.153 20 0 CAADLO C[C@H]([C@H](C)NC(=O)[C@@H]1CC(=O)NC(=O)N1)[NH+]1CCOCC1 ZINC000668318943 545497905 /nfs/dbraw/zinc/49/79/05/545497905.db2.gz YQOWJOXWFYJXKB-AEJSXWLSSA-N 1 2 298.343 -1.190 20 0 CAADLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)[C@@H]1CN(C)C(=O)N1 ZINC000668395108 545498620 /nfs/dbraw/zinc/49/86/20/545498620.db2.gz BRNDOHZGWAGKOQ-MNOVXSKESA-N 1 2 283.376 -1.238 20 0 CAADLO O=C(CNC(=O)c1ncc[nH]1)NCC[NH+]1CCOCC1 ZINC000668587389 545503233 /nfs/dbraw/zinc/50/32/33/545503233.db2.gz UKTYJMWWRSXLPF-UHFFFAOYSA-N 1 2 281.316 -1.412 20 0 CAADLO O=C(CNC(=O)[C@H](O)C1CC1)NCC[NH+]1CCOCC1 ZINC000668586942 545502244 /nfs/dbraw/zinc/50/22/44/545502244.db2.gz HQXRXWIFFLJILH-GFCCVEGCSA-N 1 2 285.344 -1.678 20 0 CAADLO NS(=O)(=O)CCN1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000158149832 545508646 /nfs/dbraw/zinc/50/86/46/545508646.db2.gz WKSXOIFTBMPENI-UHFFFAOYSA-N 1 2 273.362 -1.184 20 0 CAADLO COCC[NH+]1CCN(C(=O)C2(n3cnnn3)CC2)CC1 ZINC000668669499 545507183 /nfs/dbraw/zinc/50/71/83/545507183.db2.gz VAJCIIJBLBRAOO-UHFFFAOYSA-N 1 2 280.332 -1.047 20 0 CAADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@H]1CCC(=O)N1C ZINC000329555922 545508792 /nfs/dbraw/zinc/50/87/92/545508792.db2.gz QFIFDDDUSMXTDV-NWDGAFQWSA-N 1 2 299.371 -1.241 20 0 CAADLO CNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](S(N)(=O)=O)C1 ZINC000359506892 545509261 /nfs/dbraw/zinc/50/92/61/545509261.db2.gz KENOGVWZTILGSA-HTQZYQBOSA-N 1 2 292.361 -1.417 20 0 CAADLO CNC(=O)NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](S(N)(=O)=O)C1 ZINC000359506892 545509269 /nfs/dbraw/zinc/50/92/69/545509269.db2.gz KENOGVWZTILGSA-HTQZYQBOSA-N 1 2 292.361 -1.417 20 0 CAADLO CNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](S(N)(=O)=O)C1 ZINC000359506898 545509654 /nfs/dbraw/zinc/50/96/54/545509654.db2.gz KENOGVWZTILGSA-SFYZADRCSA-N 1 2 292.361 -1.417 20 0 CAADLO CNC(=O)NC(=O)[C@@H](C)[N@H+]1CCC[C@H](S(N)(=O)=O)C1 ZINC000359506898 545509660 /nfs/dbraw/zinc/50/96/60/545509660.db2.gz KENOGVWZTILGSA-SFYZADRCSA-N 1 2 292.361 -1.417 20 0 CAADLO CNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@H](S(N)(=O)=O)C1 ZINC000359506906 545509854 /nfs/dbraw/zinc/50/98/54/545509854.db2.gz KENOGVWZTILGSA-YUMQZZPRSA-N 1 2 292.361 -1.417 20 0 CAADLO CNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@H](S(N)(=O)=O)C1 ZINC000359506906 545509856 /nfs/dbraw/zinc/50/98/56/545509856.db2.gz KENOGVWZTILGSA-YUMQZZPRSA-N 1 2 292.361 -1.417 20 0 CAADLO CC(C)N1CC[C@@H]([N@@H+]2CCN3C(=O)C(=O)NC[C@@H]3C2)C1=O ZINC000152792500 545511032 /nfs/dbraw/zinc/51/10/32/545511032.db2.gz GCTAHIREYQSLII-GHMZBOCLSA-N 1 2 294.355 -1.362 20 0 CAADLO CC(C)N1CC[C@@H]([N@H+]2CCN3C(=O)C(=O)NC[C@@H]3C2)C1=O ZINC000152792500 545511036 /nfs/dbraw/zinc/51/10/36/545511036.db2.gz GCTAHIREYQSLII-GHMZBOCLSA-N 1 2 294.355 -1.362 20 0 CAADLO O=C([C@@H]1CC(=O)NC(=O)N1)N1CC(n2cc[nH+]c2)C1 ZINC000668758584 545511324 /nfs/dbraw/zinc/51/13/24/545511324.db2.gz ACDPGJYEUQRSQC-QMMMGPOBSA-N 1 2 263.257 -1.136 20 0 CAADLO CNC(=O)NCC(=O)NC[C@H]1CN2CC[N@@H+]1CCC2 ZINC000647678922 545514746 /nfs/dbraw/zinc/51/47/46/545514746.db2.gz FZLZIBPBSFMUPJ-JTQLQIEISA-N 1 2 269.349 -1.579 20 0 CAADLO CNC(=O)NCC(=O)NC[C@H]1CN2CC[N@H+]1CCC2 ZINC000647678922 545514750 /nfs/dbraw/zinc/51/47/50/545514750.db2.gz FZLZIBPBSFMUPJ-JTQLQIEISA-N 1 2 269.349 -1.579 20 0 CAADLO CNC(=O)NCC(=O)NC[C@@H]1CN2CC[N@@H+]1CCC2 ZINC000647678923 545514951 /nfs/dbraw/zinc/51/49/51/545514951.db2.gz FZLZIBPBSFMUPJ-SNVBAGLBSA-N 1 2 269.349 -1.579 20 0 CAADLO CNC(=O)NCC(=O)NC[C@@H]1CN2CC[N@H+]1CCC2 ZINC000647678923 545514954 /nfs/dbraw/zinc/51/49/54/545514954.db2.gz FZLZIBPBSFMUPJ-SNVBAGLBSA-N 1 2 269.349 -1.579 20 0 CAADLO NS(=O)(=O)N1CCC[C@H](C(=O)NCc2c[nH+]c[nH]2)C1 ZINC000668994196 545518495 /nfs/dbraw/zinc/51/84/95/545518495.db2.gz JRCFXEDSZIJSHZ-QMMMGPOBSA-N 1 2 287.345 -1.059 20 0 CAADLO NS(=O)(=O)N1CCC[C@H](C(=O)NCc2c[nH]c[nH+]2)C1 ZINC000668994196 545518499 /nfs/dbraw/zinc/51/84/99/545518499.db2.gz JRCFXEDSZIJSHZ-QMMMGPOBSA-N 1 2 287.345 -1.059 20 0 CAADLO CN(CC[NH+]1CCOCC1)C(=O)[C@H]1CCS(=O)(=O)N1 ZINC000651235317 545516063 /nfs/dbraw/zinc/51/60/63/545516063.db2.gz QVMSRPJZGSBZHL-SNVBAGLBSA-N 1 2 291.373 -1.531 20 0 CAADLO C[C@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC000651261313 545516403 /nfs/dbraw/zinc/51/64/03/545516403.db2.gz ZPWJPXPCJYFPBO-UWVGGRQHSA-N 1 2 291.373 -1.485 20 0 CAADLO C[C@H]1COCC[N@H+]1CCNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC000651261313 545516407 /nfs/dbraw/zinc/51/64/07/545516407.db2.gz ZPWJPXPCJYFPBO-UWVGGRQHSA-N 1 2 291.373 -1.485 20 0 CAADLO C[C@@H]1C[N@H+](CCNC(=O)[C@H]2CCS(=O)(=O)N2)CCO1 ZINC000651222888 545516495 /nfs/dbraw/zinc/51/64/95/545516495.db2.gz NISBWDOZFAVEQM-NXEZZACHSA-N 1 2 291.373 -1.485 20 0 CAADLO C[C@@H]1C[N@@H+](CCNC(=O)[C@H]2CCS(=O)(=O)N2)CCO1 ZINC000651222888 545516500 /nfs/dbraw/zinc/51/65/00/545516500.db2.gz NISBWDOZFAVEQM-NXEZZACHSA-N 1 2 291.373 -1.485 20 0 CAADLO Cn1ncnc1CN(CCO)CC[NH+]1CCOCC1 ZINC000086168715 545517182 /nfs/dbraw/zinc/51/71/82/545517182.db2.gz UPZLFFWKHKKXRL-UHFFFAOYSA-N 1 2 269.349 -1.058 20 0 CAADLO NS(=O)(=O)N1CCC[C@@H](C(=O)NCc2c[nH+]c[nH]2)C1 ZINC000668994195 545517961 /nfs/dbraw/zinc/51/79/61/545517961.db2.gz JRCFXEDSZIJSHZ-MRVPVSSYSA-N 1 2 287.345 -1.059 20 0 CAADLO NS(=O)(=O)N1CCC[C@@H](C(=O)NCc2c[nH]c[nH+]2)C1 ZINC000668994195 545517968 /nfs/dbraw/zinc/51/79/68/545517968.db2.gz JRCFXEDSZIJSHZ-MRVPVSSYSA-N 1 2 287.345 -1.059 20 0 CAADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1CN(C)C(=O)N1 ZINC000666430543 545519914 /nfs/dbraw/zinc/51/99/14/545519914.db2.gz WPBYTHXMLYPGLF-UWVGGRQHSA-N 1 2 270.333 -1.153 20 0 CAADLO COC(=O)COCCNS(=O)(=O)CCn1cc[nH+]c1 ZINC000603401766 545519955 /nfs/dbraw/zinc/51/99/55/545519955.db2.gz OJIRIUMLUFSDAI-UHFFFAOYSA-N 1 2 291.329 -1.008 20 0 CAADLO O=C(NCCn1cc[nH+]c1)[C@@H]1CC(=O)NC(=O)N1 ZINC000666353341 545520102 /nfs/dbraw/zinc/52/01/02/545520102.db2.gz UOXOALXSKNISRH-ZETCQYMHSA-N 1 2 251.246 -1.403 20 0 CAADLO CC[N@@H+]1CCOC[C@H]1C(=O)N1CC[C@@](O)(C(N)=O)C1 ZINC000355070071 545520694 /nfs/dbraw/zinc/52/06/94/545520694.db2.gz NVVOKJGKRDBKPL-CABZTGNLSA-N 1 2 271.317 -1.844 20 0 CAADLO CC[N@H+]1CCOC[C@H]1C(=O)N1CC[C@@](O)(C(N)=O)C1 ZINC000355070071 545520697 /nfs/dbraw/zinc/52/06/97/545520697.db2.gz NVVOKJGKRDBKPL-CABZTGNLSA-N 1 2 271.317 -1.844 20 0 CAADLO CO[C@@H]1CS(=O)(=O)C[C@@H]1[N@H+](C)CCC(N)=O ZINC000660546338 545522089 /nfs/dbraw/zinc/52/20/89/545522089.db2.gz IYHHRWZALQAFDE-JGVFFNPUSA-N 1 2 250.320 -1.394 20 0 CAADLO CO[C@@H]1CS(=O)(=O)C[C@@H]1[N@@H+](C)CCC(N)=O ZINC000660546338 545522093 /nfs/dbraw/zinc/52/20/93/545522093.db2.gz IYHHRWZALQAFDE-JGVFFNPUSA-N 1 2 250.320 -1.394 20 0 CAADLO COC(=O)[C@H]1CNC(=O)CN1CC[N@@H+]1CCO[C@H](C)C1 ZINC000337362106 545523114 /nfs/dbraw/zinc/52/31/14/545523114.db2.gz HERNPYKWOJLQAN-GHMZBOCLSA-N 1 2 285.344 -1.320 20 0 CAADLO COC(=O)[C@H]1CNC(=O)CN1CC[N@H+]1CCO[C@H](C)C1 ZINC000337362106 545523116 /nfs/dbraw/zinc/52/31/16/545523116.db2.gz HERNPYKWOJLQAN-GHMZBOCLSA-N 1 2 285.344 -1.320 20 0 CAADLO C[C@@H](NC(=O)Cn1cnnn1)[C@H](C)[NH+]1CCOCC1 ZINC000332787024 545524259 /nfs/dbraw/zinc/52/42/59/545524259.db2.gz MSJKGPHCGDJYBW-ZJUUUORDSA-N 1 2 268.321 -1.102 20 0 CAADLO Nc1[nH+]cnc(N2CCN3C(=O)C(=O)NC[C@H]3C2)c1Cl ZINC000272964758 545527897 /nfs/dbraw/zinc/52/78/97/545527897.db2.gz BCBJGCOFMVDEGP-LURJTMIESA-N 1 2 296.718 -1.141 20 0 CAADLO Nc1nc[nH+]c(N2CCN3C(=O)C(=O)NC[C@H]3C2)c1Cl ZINC000272964758 545527907 /nfs/dbraw/zinc/52/79/07/545527907.db2.gz BCBJGCOFMVDEGP-LURJTMIESA-N 1 2 296.718 -1.141 20 0 CAADLO CN1CCN(c2cc(N3CCNC(=O)C3)[nH+]cn2)CC1=O ZINC000274334566 545528333 /nfs/dbraw/zinc/52/83/33/545528333.db2.gz GQEATEYTIUKEIZ-UHFFFAOYSA-N 1 2 290.327 -1.309 20 0 CAADLO CN1CCN(c2cc(N3CCNC(=O)C3)nc[nH+]2)CC1=O ZINC000274334566 545528337 /nfs/dbraw/zinc/52/83/37/545528337.db2.gz GQEATEYTIUKEIZ-UHFFFAOYSA-N 1 2 290.327 -1.309 20 0 CAADLO COC(=O)[C@H]1C[C@@H](O)CN1CC[NH+]1CCOCC1 ZINC000163780660 545531010 /nfs/dbraw/zinc/53/10/10/545531010.db2.gz YPNPXWUCZMPIMD-GHMZBOCLSA-N 1 2 258.318 -1.073 20 0 CAADLO COC(=O)[C@H]1C[C@@H](O)C[N@@H+]1CCN1CCOCC1 ZINC000163780660 545531015 /nfs/dbraw/zinc/53/10/15/545531015.db2.gz YPNPXWUCZMPIMD-GHMZBOCLSA-N 1 2 258.318 -1.073 20 0 CAADLO COC(=O)[C@H]1C[C@@H](O)C[N@H+]1CCN1CCOCC1 ZINC000163780660 545531020 /nfs/dbraw/zinc/53/10/20/545531020.db2.gz YPNPXWUCZMPIMD-GHMZBOCLSA-N 1 2 258.318 -1.073 20 0 CAADLO CC(C)N1CC[C@H]([N@@H+]2CCN3C(=O)C(=O)NC[C@H]3C2)C1=O ZINC000247959898 545531594 /nfs/dbraw/zinc/53/15/94/545531594.db2.gz GCTAHIREYQSLII-QWRGUYRKSA-N 1 2 294.355 -1.362 20 0 CAADLO CC(C)N1CC[C@H]([N@H+]2CCN3C(=O)C(=O)NC[C@H]3C2)C1=O ZINC000247959898 545531600 /nfs/dbraw/zinc/53/16/00/545531600.db2.gz GCTAHIREYQSLII-QWRGUYRKSA-N 1 2 294.355 -1.362 20 0 CAADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)NC(C)(CO)CO ZINC000647994156 545534769 /nfs/dbraw/zinc/53/47/69/545534769.db2.gz MLGAZNBYMSTYQO-JTQLQIEISA-N 1 2 275.349 -1.250 20 0 CAADLO C[C@H](C(=O)N[C@@H](CO)C[NH+](C)C)S(C)(=O)=O ZINC000673520647 545531937 /nfs/dbraw/zinc/53/19/37/545531937.db2.gz FZXBHLXHSWILFI-HTQZYQBOSA-N 1 2 252.336 -1.542 20 0 CAADLO C[C@@H](C(=O)N[C@H](CO)C[NH+](C)C)S(C)(=O)=O ZINC000673520650 545531961 /nfs/dbraw/zinc/53/19/61/545531961.db2.gz FZXBHLXHSWILFI-YUMQZZPRSA-N 1 2 252.336 -1.542 20 0 CAADLO CC1(C)COCC[N@@H+]1CCNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC000668170411 545532314 /nfs/dbraw/zinc/53/23/14/545532314.db2.gz NQBVRABDFIIBBA-VIFPVBQESA-N 1 2 298.343 -1.189 20 0 CAADLO CC1(C)COCC[N@H+]1CCNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC000668170411 545532320 /nfs/dbraw/zinc/53/23/20/545532320.db2.gz NQBVRABDFIIBBA-VIFPVBQESA-N 1 2 298.343 -1.189 20 0 CAADLO CC(C)NC(=O)C[N@H+](C)CC(=O)N[C@H]1C[C@@H](C(N)=O)C1 ZINC000652796065 545533445 /nfs/dbraw/zinc/53/34/45/545533445.db2.gz LXDTVESPQQRUTR-AOOOYVTPSA-N 1 2 284.360 -1.177 20 0 CAADLO CC(C)NC(=O)C[N@@H+](C)CC(=O)N[C@H]1C[C@@H](C(N)=O)C1 ZINC000652796065 545533447 /nfs/dbraw/zinc/53/34/47/545533447.db2.gz LXDTVESPQQRUTR-AOOOYVTPSA-N 1 2 284.360 -1.177 20 0 CAADLO O=C(CN1CC[NH2+]CC1=O)NC[C@H](CO)Cc1ccco1 ZINC000645410075 545534363 /nfs/dbraw/zinc/53/43/63/545534363.db2.gz RFKNEUYFSGQYEM-LLVKDONJSA-N 1 2 295.339 -1.021 20 0 CAADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)C(=O)N[C@@H]1CCOC1 ZINC000670999237 545540083 /nfs/dbraw/zinc/54/00/83/545540083.db2.gz HUQUFONKBPTCIA-WDEREUQCSA-N 1 2 285.344 -1.272 20 0 CAADLO COC(=O)[C@](C)(O)C[N@@H+]1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC000332672946 545536154 /nfs/dbraw/zinc/53/61/54/545536154.db2.gz IVVZWIVUUNQISU-QPUJVOFHSA-N 1 2 285.300 -2.447 20 0 CAADLO COC(=O)[C@](C)(O)C[N@H+]1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC000332672946 545536159 /nfs/dbraw/zinc/53/61/59/545536159.db2.gz IVVZWIVUUNQISU-QPUJVOFHSA-N 1 2 285.300 -2.447 20 0 CAADLO C[N@@H+]1CCO[C@@H]2CCN(CCNS(C)(=O)=O)C[C@H]21 ZINC000332685537 545536527 /nfs/dbraw/zinc/53/65/27/545536527.db2.gz OKCTZQNJKVEPSH-GHMZBOCLSA-N 1 2 277.390 -1.060 20 0 CAADLO C[N@H+]1CCO[C@@H]2CCN(CCNS(C)(=O)=O)C[C@H]21 ZINC000332685537 545536529 /nfs/dbraw/zinc/53/65/29/545536529.db2.gz OKCTZQNJKVEPSH-GHMZBOCLSA-N 1 2 277.390 -1.060 20 0 CAADLO C[C@@H](NC(=O)C[N@H+](C)[C@@H]1CCN(C)C1=O)C(=O)N(C)C ZINC000352662350 545537395 /nfs/dbraw/zinc/53/73/95/545537395.db2.gz YNJSYUNGPWTRFM-NXEZZACHSA-N 1 2 284.360 -1.258 20 0 CAADLO C[C@@H](NC(=O)C[N@@H+](C)[C@@H]1CCN(C)C1=O)C(=O)N(C)C ZINC000352662350 545537402 /nfs/dbraw/zinc/53/74/02/545537402.db2.gz YNJSYUNGPWTRFM-NXEZZACHSA-N 1 2 284.360 -1.258 20 0 CAADLO Cc1cc(CNC(=O)CN2CC[NH2+]CC2=O)[nH]n1 ZINC000648079754 545537663 /nfs/dbraw/zinc/53/76/63/545537663.db2.gz OYTLSJYTVAGZJP-UHFFFAOYSA-N 1 2 251.290 -1.234 20 0 CAADLO Cc1cc(CNC(=O)CN2CC[NH2+]CC2=O)n[nH]1 ZINC000648079754 545537667 /nfs/dbraw/zinc/53/76/67/545537667.db2.gz OYTLSJYTVAGZJP-UHFFFAOYSA-N 1 2 251.290 -1.234 20 0 CAADLO CC(C)(O)C(=O)N(CCO)CC[NH+]1CCOCC1 ZINC000338222958 545539987 /nfs/dbraw/zinc/53/99/87/545539987.db2.gz NGSQFHDYJKYFKS-UHFFFAOYSA-N 1 2 260.334 -1.090 20 0 CAADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)C(=O)N[C@H]1CCOC1 ZINC000670999236 545539314 /nfs/dbraw/zinc/53/93/14/545539314.db2.gz HUQUFONKBPTCIA-QWRGUYRKSA-N 1 2 285.344 -1.272 20 0 CAADLO C[C@@H](O)CN(C)C(=O)C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000670999405 545539751 /nfs/dbraw/zinc/53/97/51/545539751.db2.gz QRLOPCMQNRMYQY-WDEREUQCSA-N 1 2 287.360 -1.338 20 0 CAADLO Cc1c[nH]nc1C(=O)NCC(=O)NCC[NH+]1CCOCC1 ZINC000669603657 545540524 /nfs/dbraw/zinc/54/05/24/545540524.db2.gz CKSMDAFGNQOIGE-UHFFFAOYSA-N 1 2 295.343 -1.104 20 0 CAADLO CN1C[C@@H](C(=O)N(CCO)CC[NH+]2CCOCC2)CC1=O ZINC000339804496 545541707 /nfs/dbraw/zinc/54/17/07/545541707.db2.gz QDNSJSBCHIJACB-LBPRGKRZSA-N 1 2 299.371 -1.382 20 0 CAADLO CNC(=O)NC(=O)C[N@@H+]1CCC[C@@H]1CS(N)(=O)=O ZINC000357907176 545541794 /nfs/dbraw/zinc/54/17/94/545541794.db2.gz GTMCAOSDXLVGDP-SSDOTTSWSA-N 1 2 278.334 -1.805 20 0 CAADLO CNC(=O)NC(=O)C[N@H+]1CCC[C@@H]1CS(N)(=O)=O ZINC000357907176 545541798 /nfs/dbraw/zinc/54/17/98/545541798.db2.gz GTMCAOSDXLVGDP-SSDOTTSWSA-N 1 2 278.334 -1.805 20 0 CAADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NC1CCC1 ZINC000671087405 545542984 /nfs/dbraw/zinc/54/29/84/545542984.db2.gz YBMVZBWTDBBIHM-LBPRGKRZSA-N 1 2 299.371 -1.193 20 0 CAADLO COCCOCC[NH+]1CCN(C(=O)CNC(C)=O)CC1 ZINC000653002205 545543686 /nfs/dbraw/zinc/54/36/86/545543686.db2.gz UBGLUEQXAPUCLT-UHFFFAOYSA-N 1 2 287.360 -1.070 20 0 CAADLO COCCOCC[NH+]1CCN(C(=O)CC(N)=O)CC1 ZINC000652999704 545543921 /nfs/dbraw/zinc/54/39/21/545543921.db2.gz GYUHSRDUDRRLCI-UHFFFAOYSA-N 1 2 273.333 -1.331 20 0 CAADLO CC(C)(C(N)=O)C(=O)N(CCO)CC[NH+]1CCOCC1 ZINC000669908500 545555818 /nfs/dbraw/zinc/55/58/18/545555818.db2.gz YGVVGALRMJNHDW-UHFFFAOYSA-N 1 2 287.360 -1.349 20 0 CAADLO CC(C)[C@H]1C(=O)NCCN1C(=O)CN1CC[NH2+]CC1=O ZINC000236797483 545548124 /nfs/dbraw/zinc/54/81/24/545548124.db2.gz QMRKNZUGUBHHIA-LBPRGKRZSA-N 1 2 282.344 -1.599 20 0 CAADLO COC[C@@](C)(O)C(=O)N(CCO)CC[NH+]1CCOCC1 ZINC000669908312 545555909 /nfs/dbraw/zinc/55/59/09/545555909.db2.gz SLOSVEOQQNRTGZ-CYBMUJFWSA-N 1 2 290.360 -1.463 20 0 CAADLO CC(=O)N[C@@H](C)C(=O)N(CCO)CC[NH+]1CCOCC1 ZINC000344880537 545550350 /nfs/dbraw/zinc/55/03/50/545550350.db2.gz RUAPWURGOCGNEE-NSHDSACASA-N 1 2 287.360 -1.336 20 0 CAADLO C[C@@H]1CN(C[C@H](O)C[NH+]2CCOCC2)CC(=O)N1C ZINC000669700186 545550509 /nfs/dbraw/zinc/55/05/09/545550509.db2.gz ROUWFBGXEPYGHY-VXGBXAGGSA-N 1 2 271.361 -1.158 20 0 CAADLO C[C@@H]1C[N@H+](C[C@H](O)CN2CCOCC2)CC(=O)N1C ZINC000669700186 545550514 /nfs/dbraw/zinc/55/05/14/545550514.db2.gz ROUWFBGXEPYGHY-VXGBXAGGSA-N 1 2 271.361 -1.158 20 0 CAADLO C[C@@H]1C[N@@H+](C[C@H](O)CN2CCOCC2)CC(=O)N1C ZINC000669700186 545550519 /nfs/dbraw/zinc/55/05/19/545550519.db2.gz ROUWFBGXEPYGHY-VXGBXAGGSA-N 1 2 271.361 -1.158 20 0 CAADLO COC(=O)[C@H]1[C@H](O)CCC[N@@H+]1CCC(=O)NC(N)=O ZINC000444732815 545551362 /nfs/dbraw/zinc/55/13/62/545551362.db2.gz KKXZBWOUIJQKBT-VXNVDRBHSA-N 1 2 273.289 -1.430 20 0 CAADLO COC(=O)[C@H]1[C@H](O)CCC[N@H+]1CCC(=O)NC(N)=O ZINC000444732815 545551366 /nfs/dbraw/zinc/55/13/66/545551366.db2.gz KKXZBWOUIJQKBT-VXNVDRBHSA-N 1 2 273.289 -1.430 20 0 CAADLO COC(=O)[C@H]1[C@@H](O)CCC[N@@H+]1CCC(=O)NC(N)=O ZINC000444732814 545551429 /nfs/dbraw/zinc/55/14/29/545551429.db2.gz KKXZBWOUIJQKBT-IONNQARKSA-N 1 2 273.289 -1.430 20 0 CAADLO COC(=O)[C@H]1[C@@H](O)CCC[N@H+]1CCC(=O)NC(N)=O ZINC000444732814 545551432 /nfs/dbraw/zinc/55/14/32/545551432.db2.gz KKXZBWOUIJQKBT-IONNQARKSA-N 1 2 273.289 -1.430 20 0 CAADLO COC(=O)[C@H]1[C@H](O)CCC[N@@H+]1CCCS(N)(=O)=O ZINC000444728712 545551879 /nfs/dbraw/zinc/55/18/79/545551879.db2.gz FLZRWHYLIXOUIO-RKDXNWHRSA-N 1 2 280.346 -1.337 20 0 CAADLO COC(=O)[C@H]1[C@H](O)CCC[N@H+]1CCCS(N)(=O)=O ZINC000444728712 545551885 /nfs/dbraw/zinc/55/18/85/545551885.db2.gz FLZRWHYLIXOUIO-RKDXNWHRSA-N 1 2 280.346 -1.337 20 0 CAADLO NC(=O)CN1CC[N@H+](CC[C@H]2CCNC2=O)CC1=O ZINC000653760108 545552684 /nfs/dbraw/zinc/55/26/84/545552684.db2.gz HMWRGUKPCPPHEG-SECBINFHSA-N 1 2 268.317 -1.858 20 0 CAADLO NC(=O)CN1CC[N@@H+](CC[C@H]2CCNC2=O)CC1=O ZINC000653760108 545552688 /nfs/dbraw/zinc/55/26/88/545552688.db2.gz HMWRGUKPCPPHEG-SECBINFHSA-N 1 2 268.317 -1.858 20 0 CAADLO COCC[NH+]1CCN(C(=O)C(=O)N[C@@H]2CCOC2)CC1 ZINC000672280521 545561554 /nfs/dbraw/zinc/56/15/54/545561554.db2.gz OPFLASYNXASTFM-LLVKDONJSA-N 1 2 285.344 -1.318 20 0 CAADLO C[C@H](O)C(=O)N1CC[NH+](C[C@@H]2CCC(=O)N2)CC1 ZINC000649572447 545564302 /nfs/dbraw/zinc/56/43/02/545564302.db2.gz WNWDGSPKDBDHHX-UWVGGRQHSA-N 1 2 255.318 -1.210 20 0 CAADLO CC(C)Nc1nc(N2CC[C@@H](O)[C@H]2C)nc(NCCO)[nH+]1 ZINC000649502218 545564872 /nfs/dbraw/zinc/56/48/72/545564872.db2.gz TVNCJTZRONKRKC-NXEZZACHSA-N 1 2 296.375 -1.101 20 0 CAADLO CC(C)Nc1nc(NCCO)[nH+]c(N2CC[C@@H](O)[C@H]2C)n1 ZINC000649502218 545564877 /nfs/dbraw/zinc/56/48/77/545564877.db2.gz TVNCJTZRONKRKC-NXEZZACHSA-N 1 2 296.375 -1.101 20 0 CAADLO CC(C)Nc1nc(NCCO)nc(N2CC[C@@H](O)[C@H]2C)[nH+]1 ZINC000649502218 545564879 /nfs/dbraw/zinc/56/48/79/545564879.db2.gz TVNCJTZRONKRKC-NXEZZACHSA-N 1 2 296.375 -1.101 20 0 CAADLO COC[C@@H]1C[C@@H](O)C[N@@H+]1CC(=O)NCC(=O)N1CCCC1 ZINC000649742587 545565616 /nfs/dbraw/zinc/56/56/16/545565616.db2.gz KQRYKAFOZQQQAW-NWDGAFQWSA-N 1 2 299.371 -1.193 20 0 CAADLO COC[C@@H]1C[C@@H](O)C[N@H+]1CC(=O)NCC(=O)N1CCCC1 ZINC000649742587 545565621 /nfs/dbraw/zinc/56/56/21/545565621.db2.gz KQRYKAFOZQQQAW-NWDGAFQWSA-N 1 2 299.371 -1.193 20 0 CAADLO COC[C@H]1C[C@@H](O)C[N@@H+]1CC(=O)NCC(=O)N1CCCC1 ZINC000649761766 545566010 /nfs/dbraw/zinc/56/60/10/545566010.db2.gz KQRYKAFOZQQQAW-VXGBXAGGSA-N 1 2 299.371 -1.193 20 0 CAADLO COC[C@H]1C[C@@H](O)C[N@H+]1CC(=O)NCC(=O)N1CCCC1 ZINC000649761766 545566015 /nfs/dbraw/zinc/56/60/15/545566015.db2.gz KQRYKAFOZQQQAW-VXGBXAGGSA-N 1 2 299.371 -1.193 20 0 CAADLO CS(=O)(=O)CCC(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000670447015 545574070 /nfs/dbraw/zinc/57/40/70/545574070.db2.gz CZIMGRCNERZYJJ-LLVKDONJSA-N 1 2 289.401 -1.073 20 0 CAADLO CS(=O)(=O)CCC(=O)NC[C@@H]1C[N@H+]2CCN1CCC2 ZINC000670447015 545574074 /nfs/dbraw/zinc/57/40/74/545574074.db2.gz CZIMGRCNERZYJJ-LLVKDONJSA-N 1 2 289.401 -1.073 20 0 CAADLO C[C@H](CC(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1)NC(N)=O ZINC000654847024 545568441 /nfs/dbraw/zinc/56/84/41/545568441.db2.gz XIEZFJGXTHTLQJ-SECBINFHSA-N 1 2 299.375 -1.159 20 0 CAADLO NC(=O)[C@@H]1CC[C@@H]1C(=O)N(CCO)CC[NH+]1CCOCC1 ZINC000654928284 545568775 /nfs/dbraw/zinc/56/87/75/545568775.db2.gz HVPPLMDYFOBUEN-NEPJUHHUSA-N 1 2 299.371 -1.349 20 0 CAADLO NC(=O)[C@@H]1CC[C@@H]1C(=O)NCCC[N@@H+]1CCNC(=O)C1 ZINC000654950182 545568872 /nfs/dbraw/zinc/56/88/72/545568872.db2.gz LFAGIJAFWFNZBY-ZJUUUORDSA-N 1 2 282.344 -1.564 20 0 CAADLO NC(=O)[C@@H]1CC[C@@H]1C(=O)NCCC[N@H+]1CCNC(=O)C1 ZINC000654950182 545568875 /nfs/dbraw/zinc/56/88/75/545568875.db2.gz LFAGIJAFWFNZBY-ZJUUUORDSA-N 1 2 282.344 -1.564 20 0 CAADLO NC(=O)[C@H]1CC[C@H]1C(=O)N(CCO)CC[NH+]1CCOCC1 ZINC000654928285 545569251 /nfs/dbraw/zinc/56/92/51/545569251.db2.gz HVPPLMDYFOBUEN-NWDGAFQWSA-N 1 2 299.371 -1.349 20 0 CAADLO NC(=O)[C@@H]1CC[C@H]1C(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000654933121 545569272 /nfs/dbraw/zinc/56/92/72/545569272.db2.gz RHECNBSDITXZJP-GMTAPVOTSA-N 1 2 266.345 -1.386 20 0 CAADLO NC(=O)[C@@H]1CC[C@H]1C(=O)N(CCO)CC[NH+]1CCOCC1 ZINC000654928287 545569452 /nfs/dbraw/zinc/56/94/52/545569452.db2.gz HVPPLMDYFOBUEN-VXGBXAGGSA-N 1 2 299.371 -1.349 20 0 CAADLO CN1C(=O)CC[C@H]1C(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000355178410 545570014 /nfs/dbraw/zinc/57/00/14/545570014.db2.gz NWGIGRBUYKTKAL-MNOVXSKESA-N 1 2 266.345 -1.277 20 0 CAADLO CNS(=O)(=O)[C@@H]1CC[N@@H+]([C@@H]2CCN(C)C2=O)C1 ZINC000155916508 545570388 /nfs/dbraw/zinc/57/03/88/545570388.db2.gz BYVHDJDNNPPJFV-RKDXNWHRSA-N 1 2 261.347 -1.159 20 0 CAADLO CNS(=O)(=O)[C@@H]1CC[N@H+]([C@@H]2CCN(C)C2=O)C1 ZINC000155916508 545570393 /nfs/dbraw/zinc/57/03/93/545570393.db2.gz BYVHDJDNNPPJFV-RKDXNWHRSA-N 1 2 261.347 -1.159 20 0 CAADLO CN1C(=O)CC[C@@H]1C(=O)NCCC[N@@H+]1CCNC(=O)C1 ZINC000355094508 545570512 /nfs/dbraw/zinc/57/05/12/545570512.db2.gz MCJXZWHSRCVISJ-SNVBAGLBSA-N 1 2 282.344 -1.455 20 0 CAADLO CN1C(=O)CC[C@@H]1C(=O)NCCC[N@H+]1CCNC(=O)C1 ZINC000355094508 545570515 /nfs/dbraw/zinc/57/05/15/545570515.db2.gz MCJXZWHSRCVISJ-SNVBAGLBSA-N 1 2 282.344 -1.455 20 0 CAADLO C[C@H](C(=O)NC[C@H]1C[N@@H+]2CCN1CCC2)S(C)(=O)=O ZINC000670409587 545571676 /nfs/dbraw/zinc/57/16/76/545571676.db2.gz PXNBPQUAXLBDAI-MNOVXSKESA-N 1 2 289.401 -1.074 20 0 CAADLO C[C@H](C(=O)NC[C@H]1C[N@H+]2CCN1CCC2)S(C)(=O)=O ZINC000670409587 545571680 /nfs/dbraw/zinc/57/16/80/545571680.db2.gz PXNBPQUAXLBDAI-MNOVXSKESA-N 1 2 289.401 -1.074 20 0 CAADLO CC(=O)N(C)CC(=O)N[C@@H](CO)C[NH+]1CCOCC1 ZINC000670385134 545571798 /nfs/dbraw/zinc/57/17/98/545571798.db2.gz AHYAPOIJNXXKKH-LLVKDONJSA-N 1 2 273.333 -1.726 20 0 CAADLO COCC[NH+]1CCN(C(=O)C(=O)N[C@H]2CCOC2)CC1 ZINC000672280522 545561287 /nfs/dbraw/zinc/56/12/87/545561287.db2.gz OPFLASYNXASTFM-NSHDSACASA-N 1 2 285.344 -1.318 20 0 CAADLO C[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC000667605720 545590206 /nfs/dbraw/zinc/59/02/06/545590206.db2.gz LWXUBDUZJKCMKQ-SFYZADRCSA-N 1 2 270.289 -1.969 20 0 CAADLO C[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC000667605720 545590207 /nfs/dbraw/zinc/59/02/07/545590207.db2.gz LWXUBDUZJKCMKQ-SFYZADRCSA-N 1 2 270.289 -1.969 20 0 CAADLO CN(CC[NH+]1CCOCC1)C(=O)[C@@H]1CCNC1=O ZINC000668000350 545590502 /nfs/dbraw/zinc/59/05/02/545590502.db2.gz FZXXRRSYRMWIPU-SNVBAGLBSA-N 1 2 255.318 -1.087 20 0 CAADLO CN(CC[NH+]1CCOCC1)C(=O)[C@@H]1CN(C)C(=O)N1 ZINC000668000798 545590700 /nfs/dbraw/zinc/59/07/00/545590700.db2.gz WLPVVFFMLVZJPO-JTQLQIEISA-N 1 2 270.333 -1.199 20 0 CAADLO C[C@@H]1C[N@H+](CCNC(=O)[C@@H]2CC(=O)NC(=O)N2)CCO1 ZINC000667815798 545591199 /nfs/dbraw/zinc/59/11/99/545591199.db2.gz CHLGOKOQWAVHIM-BDAKNGLRSA-N 1 2 284.316 -1.579 20 0 CAADLO C[C@@H]1C[N@@H+](CCNC(=O)[C@@H]2CC(=O)NC(=O)N2)CCO1 ZINC000667815798 545591202 /nfs/dbraw/zinc/59/12/02/545591202.db2.gz CHLGOKOQWAVHIM-BDAKNGLRSA-N 1 2 284.316 -1.579 20 0 CAADLO C[C@H]1C[N@H+](CCNC(=O)[C@H]2CCNC2=O)CCO1 ZINC000667816216 545590886 /nfs/dbraw/zinc/59/08/86/545590886.db2.gz NRJUEFQOHGODQY-UWVGGRQHSA-N 1 2 255.318 -1.041 20 0 CAADLO C[C@H]1C[N@@H+](CCNC(=O)[C@H]2CCNC2=O)CCO1 ZINC000667816216 545590887 /nfs/dbraw/zinc/59/08/87/545590887.db2.gz NRJUEFQOHGODQY-UWVGGRQHSA-N 1 2 255.318 -1.041 20 0 CAADLO CC(=O)N1CC[NH+](CCNC(=O)[C@H]2CC(=O)N2)CC1 ZINC000666399234 545586846 /nfs/dbraw/zinc/58/68/46/545586846.db2.gz FDLBFPZMLSQCPZ-SNVBAGLBSA-N 1 2 268.317 -1.845 20 0 CAADLO CN1C[C@@H](C(=O)NC[C@@H]2C[N@H+](C)CCO2)NC1=O ZINC000667605431 545589343 /nfs/dbraw/zinc/58/93/43/545589343.db2.gz HHYSGJDVISSYPM-BDAKNGLRSA-N 1 2 256.306 -1.543 20 0 CAADLO CN1C[C@@H](C(=O)NC[C@@H]2C[N@@H+](C)CCO2)NC1=O ZINC000667605431 545589347 /nfs/dbraw/zinc/58/93/47/545589347.db2.gz HHYSGJDVISSYPM-BDAKNGLRSA-N 1 2 256.306 -1.543 20 0 CAADLO C[C@H](NC(=O)CC(N)=O)[C@H](C)[NH2+]Cc1nnn(C)n1 ZINC001275378302 782171436 /nfs/dbraw/zinc/17/14/36/782171436.db2.gz WUVWYUNPSCXOHP-BQBZGAKWSA-N 1 2 269.309 -1.932 20 0 CAADLO NC(=O)C1=NO[C@@H](CNC(=O)/C=C\C[NH+]2CCOCC2)C1 ZINC001296540616 782175321 /nfs/dbraw/zinc/17/53/21/782175321.db2.gz IDLGYWMDSAXKGE-JWXWKVPASA-N 1 2 296.327 -1.379 20 0 CAADLO C[C@H](C[N@H+](C)Cc1ccnn1C)NC(=O)C(N)=O ZINC001275636307 782175359 /nfs/dbraw/zinc/17/53/59/782175359.db2.gz BVMCLNBKRGCNJJ-MRVPVSSYSA-N 1 2 253.306 -1.158 20 0 CAADLO C[C@H](C[N@@H+](C)Cc1ccnn1C)NC(=O)C(N)=O ZINC001275636307 782175365 /nfs/dbraw/zinc/17/53/65/782175365.db2.gz BVMCLNBKRGCNJJ-MRVPVSSYSA-N 1 2 253.306 -1.158 20 0 CAADLO COc1cncc(C[N@H+](C)C[C@@H](C)NC(=O)C(N)=O)n1 ZINC001275639728 782175454 /nfs/dbraw/zinc/17/54/54/782175454.db2.gz XTRFCZWSNNVUPV-MRVPVSSYSA-N 1 2 281.316 -1.093 20 0 CAADLO COc1cncc(C[N@@H+](C)C[C@@H](C)NC(=O)C(N)=O)n1 ZINC001275639728 782175458 /nfs/dbraw/zinc/17/54/58/782175458.db2.gz XTRFCZWSNNVUPV-MRVPVSSYSA-N 1 2 281.316 -1.093 20 0 CAADLO CNC(=O)NC(=O)C[N@H+](C)C[C@@H](C)NC(=O)C(N)=O ZINC001275637497 782175888 /nfs/dbraw/zinc/17/58/88/782175888.db2.gz KDOGZUIJSYMLQM-ZCFIWIBFSA-N 1 2 273.293 -2.636 20 0 CAADLO CNC(=O)NC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)C(N)=O ZINC001275637497 782175895 /nfs/dbraw/zinc/17/58/95/782175895.db2.gz KDOGZUIJSYMLQM-ZCFIWIBFSA-N 1 2 273.293 -2.636 20 0 CAADLO CNC(=O)C[N@H+](C)C[C@@H](C)NC(=O)c1cn[nH]n1 ZINC001275598821 782175968 /nfs/dbraw/zinc/17/59/68/782175968.db2.gz BCPNVIOGBVKSIX-SSDOTTSWSA-N 1 2 254.294 -1.399 20 0 CAADLO CNC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)c1cn[nH]n1 ZINC001275598821 782175974 /nfs/dbraw/zinc/17/59/74/782175974.db2.gz BCPNVIOGBVKSIX-SSDOTTSWSA-N 1 2 254.294 -1.399 20 0 CAADLO CNC(=O)C[N@H+](C)C[C@@H](C)NC(=O)c1cnn[nH]1 ZINC001275598821 782175981 /nfs/dbraw/zinc/17/59/81/782175981.db2.gz BCPNVIOGBVKSIX-SSDOTTSWSA-N 1 2 254.294 -1.399 20 0 CAADLO CNC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)c1cnn[nH]1 ZINC001275598821 782175988 /nfs/dbraw/zinc/17/59/88/782175988.db2.gz BCPNVIOGBVKSIX-SSDOTTSWSA-N 1 2 254.294 -1.399 20 0 CAADLO C[C@@H](C[N@H+](C)Cc1ccnn1C)NC(=O)C(N)=O ZINC001275636308 782176366 /nfs/dbraw/zinc/17/63/66/782176366.db2.gz BVMCLNBKRGCNJJ-QMMMGPOBSA-N 1 2 253.306 -1.158 20 0 CAADLO C[C@@H](C[N@@H+](C)Cc1ccnn1C)NC(=O)C(N)=O ZINC001275636308 782176372 /nfs/dbraw/zinc/17/63/72/782176372.db2.gz BVMCLNBKRGCNJJ-QMMMGPOBSA-N 1 2 253.306 -1.158 20 0 CAADLO Cn1c[nH+]c([C@@H]2CN(C(=O)c3cn[nH]n3)C[C@H]2C(N)=O)c1 ZINC001275710351 782177540 /nfs/dbraw/zinc/17/75/40/782177540.db2.gz SCRIWSIBZZKCJA-HTQZYQBOSA-N 1 2 289.299 -1.121 20 0 CAADLO C[C@H](C[N@H+](C)CC(N)=O)NC(=O)CCc1cn[nH]n1 ZINC001275659144 782178011 /nfs/dbraw/zinc/17/80/11/782178011.db2.gz MTOVBNMNABRNTD-MRVPVSSYSA-N 1 2 268.321 -1.341 20 0 CAADLO C[C@H](C[N@@H+](C)CC(N)=O)NC(=O)CCc1cn[nH]n1 ZINC001275659144 782178016 /nfs/dbraw/zinc/17/80/16/782178016.db2.gz MTOVBNMNABRNTD-MRVPVSSYSA-N 1 2 268.321 -1.341 20 0 CAADLO C[C@H](C[N@H+](C)CC(N)=O)NC(=O)CCc1c[nH]nn1 ZINC001275659144 782178020 /nfs/dbraw/zinc/17/80/20/782178020.db2.gz MTOVBNMNABRNTD-MRVPVSSYSA-N 1 2 268.321 -1.341 20 0 CAADLO C[C@H](C[N@@H+](C)CC(N)=O)NC(=O)CCc1c[nH]nn1 ZINC001275659144 782178026 /nfs/dbraw/zinc/17/80/26/782178026.db2.gz MTOVBNMNABRNTD-MRVPVSSYSA-N 1 2 268.321 -1.341 20 0 CAADLO CCCCNC(=O)C[N@H+](C)[C@H](C)CNC(=O)C(N)=O ZINC001275921130 782181839 /nfs/dbraw/zinc/18/18/39/782181839.db2.gz QLCYVLSYYOMYNV-SECBINFHSA-N 1 2 272.349 -1.176 20 0 CAADLO CCCCNC(=O)C[N@@H+](C)[C@H](C)CNC(=O)C(N)=O ZINC001275921130 782181846 /nfs/dbraw/zinc/18/18/46/782181846.db2.gz QLCYVLSYYOMYNV-SECBINFHSA-N 1 2 272.349 -1.176 20 0 CAADLO C[C@H](CNC(=O)c1ncn[nH]1)[N@H+](C)[C@H]1CCC(=O)NC1=O ZINC001275962795 782184588 /nfs/dbraw/zinc/18/45/88/782184588.db2.gz JRVVLSYRROPRCA-SFYZADRCSA-N 1 2 294.315 -1.340 20 0 CAADLO C[C@H](CNC(=O)c1ncn[nH]1)[N@@H+](C)[C@H]1CCC(=O)NC1=O ZINC001275962795 782184593 /nfs/dbraw/zinc/18/45/93/782184593.db2.gz JRVVLSYRROPRCA-SFYZADRCSA-N 1 2 294.315 -1.340 20 0 CAADLO C[C@H](CNC(=O)c1nc[nH]n1)[N@H+](C)[C@H]1CCC(=O)NC1=O ZINC001275962795 782184600 /nfs/dbraw/zinc/18/46/00/782184600.db2.gz JRVVLSYRROPRCA-SFYZADRCSA-N 1 2 294.315 -1.340 20 0 CAADLO CN(CC[NH+]1CCOCC1)C(=O)NCCN1CCNC1=O ZINC000891077364 582109334 /nfs/dbraw/zinc/10/93/34/582109334.db2.gz CQNDSSGUWNJYCS-UHFFFAOYSA-N 1 2 299.375 -1.015 20 0 CAADLO CN(C)C(=O)C[NH+]1CCN(C(=O)CCn2ccnn2)CC1 ZINC000073967759 582109884 /nfs/dbraw/zinc/10/98/84/582109884.db2.gz KKDNLUAFDLXQIX-UHFFFAOYSA-N 1 2 294.359 -1.099 20 0 CAADLO C[C@]1(NC(=O)NCC[NH+]2CCOCC2)CCNC1=O ZINC000891449349 582110054 /nfs/dbraw/zinc/11/00/54/582110054.db2.gz VIDYUMOLOHVAGZ-LBPRGKRZSA-N 1 2 270.333 -1.104 20 0 CAADLO C[C@@]1(NC(=O)NCC[NH+]2CCOCC2)CCNC1=O ZINC000891449348 582110066 /nfs/dbraw/zinc/11/00/66/582110066.db2.gz VIDYUMOLOHVAGZ-GFCCVEGCSA-N 1 2 270.333 -1.104 20 0 CAADLO C[C@H]1CC(=O)NCCN1C(=O)C(=O)NCCn1cc[nH+]c1 ZINC000670639546 582110092 /nfs/dbraw/zinc/11/00/92/582110092.db2.gz DAUXFJVEUBFQJR-JTQLQIEISA-N 1 2 293.327 -1.264 20 0 CAADLO CN(C[C@H]1C[C@@H](O)C1)C(=O)C(=O)N1CC[NH+](C)CC1 ZINC000625775480 582110097 /nfs/dbraw/zinc/11/00/97/582110097.db2.gz OARKPAMBWLMJEF-PHIMTYICSA-N 1 2 269.345 -1.010 20 0 CAADLO Cn1c(C(=O)NC[C@H]2C[NH+]3CCN2CC3)c[nH]c1=O ZINC000866861761 582110819 /nfs/dbraw/zinc/11/08/19/582110819.db2.gz VTGZRMYBZFPQCB-VIFPVBQESA-N 1 2 265.317 -1.145 20 0 CAADLO OC1CN(c2nc(NC3CC3)[nH+]c(N3CC(O)C3)n2)C1 ZINC000892288835 582111207 /nfs/dbraw/zinc/11/12/07/582111207.db2.gz WPJYLWIAJWCQSY-UHFFFAOYSA-N 1 2 278.316 -1.770 20 0 CAADLO OC1CN(c2nc(NC3CC3)nc(N3CC(O)C3)[nH+]2)C1 ZINC000892288835 582111209 /nfs/dbraw/zinc/11/12/09/582111209.db2.gz WPJYLWIAJWCQSY-UHFFFAOYSA-N 1 2 278.316 -1.770 20 0 CAADLO C[C@@H](C(=O)N(C)C)[N@@H+]1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000408021364 582111887 /nfs/dbraw/zinc/11/18/87/582111887.db2.gz HXPNNURDNOCLHH-JGVFFNPUSA-N 1 2 254.290 -1.301 20 0 CAADLO C[C@@H](C(=O)N(C)C)[N@H+]1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000408021364 582111888 /nfs/dbraw/zinc/11/18/88/582111888.db2.gz HXPNNURDNOCLHH-JGVFFNPUSA-N 1 2 254.290 -1.301 20 0 CAADLO CN(C)c1cc(N2CCN3C(=O)C(=O)NC[C@H]3C2)nc[nH+]1 ZINC000892847612 582112129 /nfs/dbraw/zinc/11/21/29/582112129.db2.gz PDRBIGHLTVAUKW-VIFPVBQESA-N 1 2 290.327 -1.310 20 0 CAADLO CN(C)c1cc(N2CCN3C(=O)C(=O)NC[C@H]3C2)[nH+]cn1 ZINC000892847612 582112130 /nfs/dbraw/zinc/11/21/30/582112130.db2.gz PDRBIGHLTVAUKW-VIFPVBQESA-N 1 2 290.327 -1.310 20 0 CAADLO CC[N@@H+]1CCOC[C@@H]1C(=O)N1CCC(=O)NCC12COC2 ZINC000893790245 582113015 /nfs/dbraw/zinc/11/30/15/582113015.db2.gz DLQKTYAHLAEDRN-LLVKDONJSA-N 1 2 297.355 -1.175 20 0 CAADLO CC[N@H+]1CCOC[C@@H]1C(=O)N1CCC(=O)NCC12COC2 ZINC000893790245 582113016 /nfs/dbraw/zinc/11/30/16/582113016.db2.gz DLQKTYAHLAEDRN-LLVKDONJSA-N 1 2 297.355 -1.175 20 0 CAADLO CCS(=O)(=O)N1CC[NH+](CCc2nnnn2C)CC1 ZINC000878016976 582113424 /nfs/dbraw/zinc/11/34/24/582113424.db2.gz AAZVLQHITRQXDR-UHFFFAOYSA-N 1 2 288.377 -1.280 20 0 CAADLO CC(=O)N1CCN(C(=O)[C@H](C)[N@@H+]2CCCNC(=O)C2)CC1 ZINC000726790922 582113538 /nfs/dbraw/zinc/11/35/38/582113538.db2.gz IGPZUTQRQGORJS-NSHDSACASA-N 1 2 296.371 -1.113 20 0 CAADLO CC(=O)N1CCN(C(=O)[C@H](C)[N@H+]2CCCNC(=O)C2)CC1 ZINC000726790922 582113539 /nfs/dbraw/zinc/11/35/39/582113539.db2.gz IGPZUTQRQGORJS-NSHDSACASA-N 1 2 296.371 -1.113 20 0 CAADLO CC(=O)N[C@H]1CCCN(C(=O)C[N@@H+]2CCCNC(=O)C2)C1 ZINC000726789848 582113548 /nfs/dbraw/zinc/11/35/48/582113548.db2.gz FHJKLCZWGPACLH-LBPRGKRZSA-N 1 2 296.371 -1.065 20 0 CAADLO CC(=O)N[C@H]1CCCN(C(=O)C[N@H+]2CCCNC(=O)C2)C1 ZINC000726789848 582113549 /nfs/dbraw/zinc/11/35/49/582113549.db2.gz FHJKLCZWGPACLH-LBPRGKRZSA-N 1 2 296.371 -1.065 20 0 CAADLO CC(=O)N1CCN(C(=O)[C@@H](C)[N@@H+]2CCCNC(=O)C2)CC1 ZINC000726790921 582113585 /nfs/dbraw/zinc/11/35/85/582113585.db2.gz IGPZUTQRQGORJS-LLVKDONJSA-N 1 2 296.371 -1.113 20 0 CAADLO CC(=O)N1CCN(C(=O)[C@@H](C)[N@H+]2CCCNC(=O)C2)CC1 ZINC000726790921 582113586 /nfs/dbraw/zinc/11/35/86/582113586.db2.gz IGPZUTQRQGORJS-LLVKDONJSA-N 1 2 296.371 -1.113 20 0 CAADLO CC(=O)N[C@@H]1CCCN(C(=O)C[N@@H+]2CCCNC(=O)C2)C1 ZINC000726789762 582113619 /nfs/dbraw/zinc/11/36/19/582113619.db2.gz FHJKLCZWGPACLH-GFCCVEGCSA-N 1 2 296.371 -1.065 20 0 CAADLO CC(=O)N[C@@H]1CCCN(C(=O)C[N@H+]2CCCNC(=O)C2)C1 ZINC000726789762 582113620 /nfs/dbraw/zinc/11/36/20/582113620.db2.gz FHJKLCZWGPACLH-GFCCVEGCSA-N 1 2 296.371 -1.065 20 0 CAADLO C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[N@@H+]1CCCNC(=O)C1 ZINC000726790568 582113639 /nfs/dbraw/zinc/11/36/39/582113639.db2.gz FXBILPLECCVXDM-GHMZBOCLSA-N 1 2 296.371 -1.079 20 0 CAADLO C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[N@H+]1CCCNC(=O)C1 ZINC000726790568 582113640 /nfs/dbraw/zinc/11/36/40/582113640.db2.gz FXBILPLECCVXDM-GHMZBOCLSA-N 1 2 296.371 -1.079 20 0 CAADLO COC(=O)CCNC(=O)C[N@@H+]1CCCNC(=O)C1 ZINC000726791431 582113658 /nfs/dbraw/zinc/11/36/58/582113658.db2.gz QVUWOJFFYXWZOQ-UHFFFAOYSA-N 1 2 257.290 -1.512 20 0 CAADLO Cn1ncc2c1nc(NCCc1nc(N)no1)[nH+]c2N ZINC000436402261 582113924 /nfs/dbraw/zinc/11/39/24/582113924.db2.gz VBXKNPIWOAPXJV-UHFFFAOYSA-N 1 2 275.276 -1.013 20 0 CAADLO C[C@@H]1C[N@H+](CCn2cnnn2)CCN1S(C)(=O)=O ZINC000878950454 582113927 /nfs/dbraw/zinc/11/39/27/582113927.db2.gz XBRCQWGVXFMABO-SECBINFHSA-N 1 2 274.350 -1.361 20 0 CAADLO C[C@@H]1C[N@@H+](CCn2cnnn2)CCN1S(C)(=O)=O ZINC000878950454 582113928 /nfs/dbraw/zinc/11/39/28/582113928.db2.gz XBRCQWGVXFMABO-SECBINFHSA-N 1 2 274.350 -1.361 20 0 CAADLO CC[N@@H+]1CCOC[C@H]1C(=O)NCCN1CCNC1=O ZINC000894570554 582114160 /nfs/dbraw/zinc/11/41/60/582114160.db2.gz ZQUPLRHEGXEFFE-JTQLQIEISA-N 1 2 270.333 -1.152 20 0 CAADLO CC[N@H+]1CCOC[C@H]1C(=O)NCCN1CCNC1=O ZINC000894570554 582114161 /nfs/dbraw/zinc/11/41/61/582114161.db2.gz ZQUPLRHEGXEFFE-JTQLQIEISA-N 1 2 270.333 -1.152 20 0 CAADLO O=C(Cn1cnnn1)N1CCN(Cc2c[nH+]c[nH]2)CC1 ZINC000894767440 582114319 /nfs/dbraw/zinc/11/43/19/582114319.db2.gz YOLVMJSWBRGQHS-UHFFFAOYSA-N 1 2 276.304 -1.259 20 0 CAADLO O=C(Cn1cnnn1)N1CCN(Cc2c[nH]c[nH+]2)CC1 ZINC000894767440 582114320 /nfs/dbraw/zinc/11/43/20/582114320.db2.gz YOLVMJSWBRGQHS-UHFFFAOYSA-N 1 2 276.304 -1.259 20 0 CAADLO CN(C)C(=O)C[NH+]1CCN(C(=S)NCC(N)=O)CC1 ZINC000727069467 582114877 /nfs/dbraw/zinc/11/48/77/582114877.db2.gz WRUJQMOJEALDBI-UHFFFAOYSA-N 1 2 287.389 -1.948 20 0 CAADLO C[C@H](C[NH+]1CCOCC1)NC(=S)NCC(N)=O ZINC000727075443 582115019 /nfs/dbraw/zinc/11/50/19/582115019.db2.gz FIKWIYNBGUPDCN-MRVPVSSYSA-N 1 2 260.363 -1.344 20 0 CAADLO C[C@@H](C[NH+]1CCOCC1)NC(=S)NCC(N)=O ZINC000727075444 582115024 /nfs/dbraw/zinc/11/50/24/582115024.db2.gz FIKWIYNBGUPDCN-QMMMGPOBSA-N 1 2 260.363 -1.344 20 0 CAADLO C[C@@H]1C[N@H+](CCNC(=S)NCC(N)=O)CCO1 ZINC000727083780 582115110 /nfs/dbraw/zinc/11/51/10/582115110.db2.gz ACLDFNBLYUFBCB-MRVPVSSYSA-N 1 2 260.363 -1.344 20 0 CAADLO C[C@@H]1C[N@@H+](CCNC(=S)NCC(N)=O)CCO1 ZINC000727083780 582115111 /nfs/dbraw/zinc/11/51/11/582115111.db2.gz ACLDFNBLYUFBCB-MRVPVSSYSA-N 1 2 260.363 -1.344 20 0 CAADLO COC(=O)[C@H]1[C@@H](C[N@@H+]2C[C@H](O)C[C@H]2C(N)=O)C1(F)F ZINC000895368598 582115382 /nfs/dbraw/zinc/11/53/82/582115382.db2.gz UXIIGPHHSOYCJD-OOJXKGFFSA-N 1 2 278.255 -1.039 20 0 CAADLO COC(=O)[C@H]1[C@@H](C[N@H+]2C[C@H](O)C[C@H]2C(N)=O)C1(F)F ZINC000895368598 582115384 /nfs/dbraw/zinc/11/53/84/582115384.db2.gz UXIIGPHHSOYCJD-OOJXKGFFSA-N 1 2 278.255 -1.039 20 0 CAADLO COC(=O)c1nccc(NC[C@@]2(CO)COCC[N@@H+]2C)n1 ZINC000895612577 582115580 /nfs/dbraw/zinc/11/55/80/582115580.db2.gz PVPFMYGCTUETRC-CYBMUJFWSA-N 1 2 296.327 -1.210 20 0 CAADLO COC(=O)c1nccc(NC[C@@]2(CO)COCC[N@H+]2C)n1 ZINC000895612577 582115582 /nfs/dbraw/zinc/11/55/82/582115582.db2.gz PVPFMYGCTUETRC-CYBMUJFWSA-N 1 2 296.327 -1.210 20 0 CAADLO C[N@@H+]1CCOC[C@@]1(CO)CN=c1ncnc2[nH][nH]cc1-2 ZINC000895612205 582115627 /nfs/dbraw/zinc/11/56/27/582115627.db2.gz MVDIONQEJJHKOF-LBPRGKRZSA-N 1 2 278.316 -1.169 20 0 CAADLO C[N@H+]1CCOC[C@@]1(CO)CN=c1ncnc2[nH][nH]cc1-2 ZINC000895612205 582115629 /nfs/dbraw/zinc/11/56/29/582115629.db2.gz MVDIONQEJJHKOF-LBPRGKRZSA-N 1 2 278.316 -1.169 20 0 CAADLO CO[C@@H]1C[N@H+](Cc2cn(C)c(=O)n(C)c2=O)CCO1 ZINC000895968968 582115776 /nfs/dbraw/zinc/11/57/76/582115776.db2.gz HTUSJPUKLGIWRM-JTQLQIEISA-N 1 2 269.301 -1.111 20 0 CAADLO CO[C@@H]1C[N@@H+](Cc2cn(C)c(=O)n(C)c2=O)CCO1 ZINC000895968968 582115778 /nfs/dbraw/zinc/11/57/78/582115778.db2.gz HTUSJPUKLGIWRM-JTQLQIEISA-N 1 2 269.301 -1.111 20 0 CAADLO CN(C)c1cc(N2CCN3[C@@H](CNS3(=O)=O)C2)nc[nH+]1 ZINC000896594560 582116186 /nfs/dbraw/zinc/11/61/86/582116186.db2.gz IUPJCCIENBKFAS-VIFPVBQESA-N 1 2 298.372 -1.119 20 0 CAADLO CN(C)c1cc(N2CCN3[C@@H](CNS3(=O)=O)C2)[nH+]cn1 ZINC000896594560 582116187 /nfs/dbraw/zinc/11/61/87/582116187.db2.gz IUPJCCIENBKFAS-VIFPVBQESA-N 1 2 298.372 -1.119 20 0 CAADLO CONC(=O)CNC(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000896701846 582116200 /nfs/dbraw/zinc/11/62/00/582116200.db2.gz IEXPBLNAXHZVLJ-DTORHVGOSA-N 1 2 256.306 -1.133 20 0 CAADLO CONC(=O)CNC(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000896701846 582116201 /nfs/dbraw/zinc/11/62/01/582116201.db2.gz IEXPBLNAXHZVLJ-DTORHVGOSA-N 1 2 256.306 -1.133 20 0 CAADLO CONC(=O)C[NH2+]C1CCN(CC(=O)OC)CC1 ZINC000896926326 582116534 /nfs/dbraw/zinc/11/65/34/582116534.db2.gz HGMABQWXZVEDOX-UHFFFAOYSA-N 1 2 259.306 -1.109 20 0 CAADLO Cn1[nH]cnc1=NC(=O)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000896993744 582116550 /nfs/dbraw/zinc/11/65/50/582116550.db2.gz SDJQUQXTBFMAAT-SECBINFHSA-N 1 2 251.290 -1.104 20 0 CAADLO O=C(NC[C@@H]1C[NH+]2CCN1CC2)c1cccn2nnnc12 ZINC000897146482 582116663 /nfs/dbraw/zinc/11/66/63/582116663.db2.gz TZEYSTPLUCATBZ-SNVBAGLBSA-N 1 2 287.327 -1.146 20 0 CAADLO COC1CN(S(=O)(=O)C[C@H]2C[N@H+](C)CCO2)C1 ZINC000866921857 582116705 /nfs/dbraw/zinc/11/67/05/582116705.db2.gz HXZIYAQXRYDMBE-SNVBAGLBSA-N 1 2 264.347 -1.023 20 0 CAADLO COC1CN(S(=O)(=O)C[C@H]2C[N@@H+](C)CCO2)C1 ZINC000866921857 582116706 /nfs/dbraw/zinc/11/67/06/582116706.db2.gz HXZIYAQXRYDMBE-SNVBAGLBSA-N 1 2 264.347 -1.023 20 0 CAADLO COC1CN(S(=O)(=O)C[C@@H]2C[N@H+](C)CCO2)C1 ZINC000866921856 582116736 /nfs/dbraw/zinc/11/67/36/582116736.db2.gz HXZIYAQXRYDMBE-JTQLQIEISA-N 1 2 264.347 -1.023 20 0 CAADLO COC1CN(S(=O)(=O)C[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000866921856 582116737 /nfs/dbraw/zinc/11/67/37/582116737.db2.gz HXZIYAQXRYDMBE-JTQLQIEISA-N 1 2 264.347 -1.023 20 0 CAADLO CC[C@@]1(C(=O)NCCC[N@@H+]2CCNC(=O)C2)CCNC1=O ZINC000866925475 582116838 /nfs/dbraw/zinc/11/68/38/582116838.db2.gz LGFWLPACMFGOIJ-AWEZNQCLSA-N 1 2 296.371 -1.159 20 0 CAADLO CC[C@@]1(C(=O)NCCC[N@H+]2CCNC(=O)C2)CCNC1=O ZINC000866925475 582116839 /nfs/dbraw/zinc/11/68/39/582116839.db2.gz LGFWLPACMFGOIJ-AWEZNQCLSA-N 1 2 296.371 -1.159 20 0 CAADLO CC[C@]1(C(=O)NCCC[N@@H+]2CCNC(=O)C2)CCNC1=O ZINC000866925476 582116924 /nfs/dbraw/zinc/11/69/24/582116924.db2.gz LGFWLPACMFGOIJ-CQSZACIVSA-N 1 2 296.371 -1.159 20 0 CAADLO CC[C@]1(C(=O)NCCC[N@H+]2CCNC(=O)C2)CCNC1=O ZINC000866925476 582116925 /nfs/dbraw/zinc/11/69/25/582116925.db2.gz LGFWLPACMFGOIJ-CQSZACIVSA-N 1 2 296.371 -1.159 20 0 CAADLO C[C@@H]1COCC[N@@H+]1CCNC(=S)NCC(N)=O ZINC000729160708 582117551 /nfs/dbraw/zinc/11/75/51/582117551.db2.gz BGCKQWBMSPNRHM-MRVPVSSYSA-N 1 2 260.363 -1.344 20 0 CAADLO C[C@@H]1COCC[N@H+]1CCNC(=S)NCC(N)=O ZINC000729160708 582117552 /nfs/dbraw/zinc/11/75/52/582117552.db2.gz BGCKQWBMSPNRHM-MRVPVSSYSA-N 1 2 260.363 -1.344 20 0 CAADLO C[N@@H+]1CCN(C(=O)[C@@]2(C)CCNC2=O)C[C@@H]1CO ZINC000864077515 582117971 /nfs/dbraw/zinc/11/79/71/582117971.db2.gz GFUSUUCKFMIZCN-SKDRFNHKSA-N 1 2 255.318 -1.353 20 0 CAADLO C[N@H+]1CCN(C(=O)[C@@]2(C)CCNC2=O)C[C@@H]1CO ZINC000864077515 582117972 /nfs/dbraw/zinc/11/79/72/582117972.db2.gz GFUSUUCKFMIZCN-SKDRFNHKSA-N 1 2 255.318 -1.353 20 0 CAADLO C[N@@H+]1CCN(C(=O)[C@@H]2CCS(=O)(=O)N2)C[C@H]1CO ZINC000864077964 582117982 /nfs/dbraw/zinc/11/79/82/582117982.db2.gz KCGSODYYNORAGY-IUCAKERBSA-N 1 2 277.346 -2.187 20 0 CAADLO C[N@H+]1CCN(C(=O)[C@@H]2CCS(=O)(=O)N2)C[C@H]1CO ZINC000864077964 582117984 /nfs/dbraw/zinc/11/79/84/582117984.db2.gz KCGSODYYNORAGY-IUCAKERBSA-N 1 2 277.346 -2.187 20 0 CAADLO Cn1cc[nH+]c1CN1CCN(C(=S)NCC(N)=O)CC1 ZINC000729941157 582118327 /nfs/dbraw/zinc/11/83/27/582118327.db2.gz JLCGZMGXNKPHOE-UHFFFAOYSA-N 1 2 296.400 -1.103 20 0 CAADLO Cn1cc(C[NH+]2CCN(C(=S)NCC(N)=O)CC2)cn1 ZINC000729942508 582118405 /nfs/dbraw/zinc/11/84/05/582118405.db2.gz HIKVWJVODFYEJH-UHFFFAOYSA-N 1 2 296.400 -1.103 20 0 CAADLO CC[N@@H+]1CC[C@H]1CNC(=O)C(=O)NCC[S@@](C)=O ZINC000897682026 582118506 /nfs/dbraw/zinc/11/85/06/582118506.db2.gz HSNQDESMDBJHJZ-NIVTXAMTSA-N 1 2 275.374 -1.309 20 0 CAADLO CC[N@H+]1CC[C@H]1CNC(=O)C(=O)NCC[S@@](C)=O ZINC000897682026 582118507 /nfs/dbraw/zinc/11/85/07/582118507.db2.gz HSNQDESMDBJHJZ-NIVTXAMTSA-N 1 2 275.374 -1.309 20 0 CAADLO CC[N@@H+]1CC[C@@H]1CNC(=O)C(=O)NCC[S@@](C)=O ZINC000897682024 582118515 /nfs/dbraw/zinc/11/85/15/582118515.db2.gz HSNQDESMDBJHJZ-DYBLOJMWSA-N 1 2 275.374 -1.309 20 0 CAADLO CC[N@H+]1CC[C@@H]1CNC(=O)C(=O)NCC[S@@](C)=O ZINC000897682024 582118516 /nfs/dbraw/zinc/11/85/16/582118516.db2.gz HSNQDESMDBJHJZ-DYBLOJMWSA-N 1 2 275.374 -1.309 20 0 CAADLO C[NH+]1CCN(C(=O)CCn2cc[nH]c(=O)c2=O)CC1 ZINC000730094870 582119607 /nfs/dbraw/zinc/11/96/07/582119607.db2.gz VGKAVNJFZJTDBU-UHFFFAOYSA-N 1 2 266.301 -1.299 20 0 CAADLO Cn1c[nH+]c(CNC(=O)NC[C@]2(CO)COCCN2C)c1 ZINC000898612169 582119811 /nfs/dbraw/zinc/11/98/11/582119811.db2.gz HGBKPXSFHYMWNT-ZDUSSCGKSA-N 1 2 297.359 -1.088 20 0 CAADLO CC[NH+]1CCN(C(=O)C(=O)NCCN2CCNC2=O)CC1 ZINC000898704318 582119896 /nfs/dbraw/zinc/11/98/96/582119896.db2.gz UEHFHYCODCFYQK-UHFFFAOYSA-N 1 2 297.359 -1.708 20 0 CAADLO C[C@@]1(C(=O)N[C@@H](CO)C[NH+]2CCOCC2)CCNC(=O)C1 ZINC000898906331 582120137 /nfs/dbraw/zinc/12/01/37/582120137.db2.gz DNMAHLPXKZJHAS-BXUZGUMPSA-N 1 2 299.371 -1.288 20 0 CAADLO O=C(NCC[N@@H+]1CCC2(C1)OCCO2)[C@@H]1COCCO1 ZINC000899055930 582120372 /nfs/dbraw/zinc/12/03/72/582120372.db2.gz WOAZIRQNCKXGHY-NSHDSACASA-N 1 2 286.328 -1.033 20 0 CAADLO O=C(NCC[N@H+]1CCC2(C1)OCCO2)[C@@H]1COCCO1 ZINC000899055930 582120374 /nfs/dbraw/zinc/12/03/74/582120374.db2.gz WOAZIRQNCKXGHY-NSHDSACASA-N 1 2 286.328 -1.033 20 0 CAADLO CC(C)S(=O)(=O)CC(=O)NCC[N@H+](C)CCO ZINC000899732364 582122046 /nfs/dbraw/zinc/12/20/46/582122046.db2.gz WXCZQXUZUWPZMY-UHFFFAOYSA-N 1 2 266.363 -1.150 20 0 CAADLO CC(C)S(=O)(=O)CC(=O)NCC[N@@H+](C)CCO ZINC000899732364 582122047 /nfs/dbraw/zinc/12/20/47/582122047.db2.gz WXCZQXUZUWPZMY-UHFFFAOYSA-N 1 2 266.363 -1.150 20 0 CAADLO COC(=O)c1cn(CC(=O)NC[C@@H]2COCC[N@@H+]2C)nn1 ZINC000600421843 582122705 /nfs/dbraw/zinc/12/27/05/582122705.db2.gz PHGILABQOJMZDH-SECBINFHSA-N 1 2 297.315 -1.489 20 0 CAADLO COC(=O)c1cn(CC(=O)NC[C@@H]2COCC[N@H+]2C)nn1 ZINC000600421843 582122706 /nfs/dbraw/zinc/12/27/06/582122706.db2.gz PHGILABQOJMZDH-SECBINFHSA-N 1 2 297.315 -1.489 20 0 CAADLO CS(=O)(=O)NC1C[NH+](C[C@@H](O)C2(O)CCOCC2)C1 ZINC000899893667 582122879 /nfs/dbraw/zinc/12/28/79/582122879.db2.gz VFTFACOHRCQLPI-SNVBAGLBSA-N 1 2 294.373 -1.878 20 0 CAADLO Cn1cc(C(=O)NCC[NH+]2CCOCC2)n(C)c1=O ZINC000899928879 582122904 /nfs/dbraw/zinc/12/29/04/582122904.db2.gz UJAWIKMYQKKOJM-UHFFFAOYSA-N 1 2 268.317 -1.214 20 0 CAADLO CC(C)COC[C@@H](O)C[NH+]1CC2(C1)NC(=O)NC2=O ZINC000899912551 582122926 /nfs/dbraw/zinc/12/29/26/582122926.db2.gz KNGJBBRMJAJUNJ-VIFPVBQESA-N 1 2 271.317 -1.086 20 0 CAADLO CN1CC[C@H](C(=O)N2CC[NH+](C)CC2)S1(=O)=O ZINC000648712335 582123118 /nfs/dbraw/zinc/12/31/18/582123118.db2.gz RMQAOEQWCPISJQ-SECBINFHSA-N 1 2 261.347 -1.206 20 0 CAADLO C[C@H](c1nnnn1C)N1CC[NH+](CC(=O)N(C)C)CC1 ZINC000682516405 582123660 /nfs/dbraw/zinc/12/36/60/582123660.db2.gz DBCMWWWYJPPLBX-SNVBAGLBSA-N 1 2 281.364 -1.023 20 0 CAADLO CONC(=O)CNC(=O)C[C@]1(O)CCC[N@H+](C)C1 ZINC000832740842 582124078 /nfs/dbraw/zinc/12/40/78/582124078.db2.gz HANPYIYGGJDLIB-LLVKDONJSA-N 1 2 259.306 -1.373 20 0 CAADLO CONC(=O)CNC(=O)C[C@]1(O)CCC[N@@H+](C)C1 ZINC000832740842 582124080 /nfs/dbraw/zinc/12/40/80/582124080.db2.gz HANPYIYGGJDLIB-LLVKDONJSA-N 1 2 259.306 -1.373 20 0 CAADLO NC(=O)C1=NO[C@@H](CNC(=O)NCC[NH+]2CCOCC2)C1 ZINC000788031568 582124437 /nfs/dbraw/zinc/12/44/37/582124437.db2.gz RTOVPIXFKNRJPK-SECBINFHSA-N 1 2 299.331 -1.752 20 0 CAADLO CO[C@@H](C)CC(=O)NCC(=O)NCC[NH+]1CCOCC1 ZINC000732156255 582124981 /nfs/dbraw/zinc/12/49/81/582124981.db2.gz IRZKBFQITDJXGB-NSHDSACASA-N 1 2 287.360 -1.024 20 0 CAADLO O=C(CNC(=O)C1=COCCO1)NCC[NH+]1CCOCC1 ZINC000732157680 582124999 /nfs/dbraw/zinc/12/49/99/582124999.db2.gz YWVFACHQLZQCDA-UHFFFAOYSA-N 1 2 299.327 -1.561 20 0 CAADLO NC(CN1CCOCC1)=[NH+]OCC(=O)N1CCOCC1 ZINC000732194147 582125133 /nfs/dbraw/zinc/12/51/33/582125133.db2.gz AIZLXSDNKQBXMM-UHFFFAOYSA-N 1 2 286.332 -1.324 20 0 CAADLO CN(CC(=O)N1CCC[N@H+](CC(N)=O)CC1)C(=O)C1CC1 ZINC000733147915 582125957 /nfs/dbraw/zinc/12/59/57/582125957.db2.gz NMOKIGDKZBGNFJ-UHFFFAOYSA-N 1 2 296.371 -1.126 20 0 CAADLO CN(CC(=O)N1CCC[N@@H+](CC(N)=O)CC1)C(=O)C1CC1 ZINC000733147915 582125958 /nfs/dbraw/zinc/12/59/58/582125958.db2.gz NMOKIGDKZBGNFJ-UHFFFAOYSA-N 1 2 296.371 -1.126 20 0 CAADLO OC[C@@H]1COCCN1C[C@@H](O)C[NH+]1CCOCC1 ZINC000384704539 582126253 /nfs/dbraw/zinc/12/62/53/582126253.db2.gz CZWFMXQWNXGIBP-NEPJUHHUSA-N 1 2 260.334 -1.627 20 0 CAADLO OC[C@@H]1COCC[N@@H+]1C[C@@H](O)CN1CCOCC1 ZINC000384704539 582126254 /nfs/dbraw/zinc/12/62/54/582126254.db2.gz CZWFMXQWNXGIBP-NEPJUHHUSA-N 1 2 260.334 -1.627 20 0 CAADLO OC[C@@H]1COCC[N@H+]1C[C@@H](O)CN1CCOCC1 ZINC000384704539 582126256 /nfs/dbraw/zinc/12/62/56/582126256.db2.gz CZWFMXQWNXGIBP-NEPJUHHUSA-N 1 2 260.334 -1.627 20 0 CAADLO Cn1cc(C(=O)NCCn2cc[nH+]c2)c(=O)n(C)c1=O ZINC000734991677 582127983 /nfs/dbraw/zinc/12/79/83/582127983.db2.gz FCCHLIADEZHXLV-UHFFFAOYSA-N 1 2 277.284 -1.290 20 0 CAADLO Cn1cc[nH+]c1CNC(=O)c1cn(C)c(=O)n(C)c1=O ZINC000735044262 582128099 /nfs/dbraw/zinc/12/80/99/582128099.db2.gz KXXMWUWTTISLCN-UHFFFAOYSA-N 1 2 277.284 -1.253 20 0 CAADLO CC[NH+]1CCN(C(=O)C(=O)N2CC(=O)N(C)C[C@H]2C)CC1 ZINC000839334018 582139877 /nfs/dbraw/zinc/13/98/77/582139877.db2.gz TZCISRPLPPRIRK-LLVKDONJSA-N 1 2 296.371 -1.160 20 0 CAADLO C[C@@H]1CN(C)C(=O)CN1C(=O)C(=O)N1CC[NH+](C)CC1 ZINC000839334082 582139976 /nfs/dbraw/zinc/13/99/76/582139976.db2.gz UIFZGPPYYSBVDG-SNVBAGLBSA-N 1 2 282.344 -1.551 20 0 CAADLO CS(=O)(=O)NC[C@H]1CCCC[N@@H+]1CCS(N)(=O)=O ZINC000740874675 582140102 /nfs/dbraw/zinc/14/01/02/582140102.db2.gz ACYJRDZUEKEDRH-SECBINFHSA-N 1 2 299.418 -1.321 20 0 CAADLO CS(=O)(=O)NC[C@H]1CCCC[N@H+]1CCS(N)(=O)=O ZINC000740874675 582140104 /nfs/dbraw/zinc/14/01/04/582140104.db2.gz ACYJRDZUEKEDRH-SECBINFHSA-N 1 2 299.418 -1.321 20 0 CAADLO C[S@@](=O)CC[NH+]1CCN(C(=O)[C@@H]2COCCO2)CC1 ZINC000741141749 582140159 /nfs/dbraw/zinc/14/01/59/582140159.db2.gz IDYZTLCYKJCGDX-JEOXALJRSA-N 1 2 290.385 -1.076 20 0 CAADLO CNS(=O)(=O)[C@@H]1CCC[N@H+](CCS(N)(=O)=O)C1 ZINC000740878315 582140167 /nfs/dbraw/zinc/14/01/67/582140167.db2.gz YOJFVRNWFLCSBJ-MRVPVSSYSA-N 1 2 285.391 -1.712 20 0 CAADLO CNS(=O)(=O)[C@@H]1CCC[N@@H+](CCS(N)(=O)=O)C1 ZINC000740878315 582140169 /nfs/dbraw/zinc/14/01/69/582140169.db2.gz YOJFVRNWFLCSBJ-MRVPVSSYSA-N 1 2 285.391 -1.712 20 0 CAADLO COC(=O)NCC(=O)N1CC[NH+](CC[S@@](C)=O)CC1 ZINC000741289275 582140293 /nfs/dbraw/zinc/14/02/93/582140293.db2.gz ATFJFZWMCSXYEW-LJQANCHMSA-N 1 2 291.373 -1.135 20 0 CAADLO CCOC(=O)[C@@H]1C[N@H+](CCCS(N)(=O)=O)CCO1 ZINC000741249059 582140351 /nfs/dbraw/zinc/14/03/51/582140351.db2.gz QLZZKGPPJMNZFG-VIFPVBQESA-N 1 2 280.346 -1.071 20 0 CAADLO CCOC(=O)[C@@H]1C[N@@H+](CCCS(N)(=O)=O)CCO1 ZINC000741249059 582140352 /nfs/dbraw/zinc/14/03/52/582140352.db2.gz QLZZKGPPJMNZFG-VIFPVBQESA-N 1 2 280.346 -1.071 20 0 CAADLO C[S@@](=O)CC[NH+]1CCN(C(=O)Cn2cnnn2)CC1 ZINC000742184196 582140653 /nfs/dbraw/zinc/14/06/53/582140653.db2.gz UCUMULALXIHPCG-LJQANCHMSA-N 1 2 286.361 -1.804 20 0 CAADLO CON(C)C(=O)C[N@@H+]1CCCN(S(C)(=O)=O)CC1 ZINC000746500235 582141746 /nfs/dbraw/zinc/14/17/46/582141746.db2.gz VCBCCWBLHVHDAD-UHFFFAOYSA-N 1 2 279.362 -1.027 20 0 CAADLO CON(C)C(=O)C[N@H+]1CCCN(S(C)(=O)=O)CC1 ZINC000746500235 582141747 /nfs/dbraw/zinc/14/17/47/582141747.db2.gz VCBCCWBLHVHDAD-UHFFFAOYSA-N 1 2 279.362 -1.027 20 0 CAADLO NC(=O)CNC(=S)NC[C@H]1C[NH+]2CCN1CC2 ZINC000746545099 582141801 /nfs/dbraw/zinc/14/18/01/582141801.db2.gz QWQYGQVEVAJZKF-QMMMGPOBSA-N 1 2 257.363 -2.064 20 0 CAADLO CS(=O)(=O)NCCC(=O)OCC[NH+]1CCOCC1 ZINC000747688902 582142152 /nfs/dbraw/zinc/14/21/52/582142152.db2.gz SUOOGRBHBIJFPK-UHFFFAOYSA-N 1 2 280.346 -1.199 20 0 CAADLO O=C(CN1CC(=O)NC1=O)OCC[NH+]1CCOCC1 ZINC000747702178 582142156 /nfs/dbraw/zinc/14/21/56/582142156.db2.gz WRPSASJOALDDOW-UHFFFAOYSA-N 1 2 271.273 -1.586 20 0 CAADLO CC[N@@H+]1CCO[C@@H](C(=O)OCC(=O)NC(=O)NC)C1 ZINC000748455339 582142534 /nfs/dbraw/zinc/14/25/34/582142534.db2.gz GVJZUJDLENJSOA-MRVPVSSYSA-N 1 2 273.289 -1.294 20 0 CAADLO CC[N@H+]1CCO[C@@H](C(=O)OCC(=O)NC(=O)NC)C1 ZINC000748455339 582142535 /nfs/dbraw/zinc/14/25/35/582142535.db2.gz GVJZUJDLENJSOA-MRVPVSSYSA-N 1 2 273.289 -1.294 20 0 CAADLO OC[C@@H]1CN(C(=S)NCC[NH+]2CCOCC2)CCO1 ZINC000749898880 582143011 /nfs/dbraw/zinc/14/30/11/582143011.db2.gz RZFYJUULJOTPGZ-NSHDSACASA-N 1 2 289.401 -1.114 20 0 CAADLO OC[C@H]1CN(C(=S)NCC[NH+]2CCOCC2)CCO1 ZINC000749898876 582143016 /nfs/dbraw/zinc/14/30/16/582143016.db2.gz RZFYJUULJOTPGZ-LLVKDONJSA-N 1 2 289.401 -1.114 20 0 CAADLO O=C1OCCN1CCC[N@@H+]1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC000750606033 582143020 /nfs/dbraw/zinc/14/30/20/582143020.db2.gz IMBXZAQSGIUBMI-SNVBAGLBSA-N 1 2 296.327 -1.529 20 0 CAADLO O=C1OCCN1CCC[N@H+]1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC000750606033 582143021 /nfs/dbraw/zinc/14/30/21/582143021.db2.gz IMBXZAQSGIUBMI-SNVBAGLBSA-N 1 2 296.327 -1.529 20 0 CAADLO CC[NH+]1CCN(C(=O)C(=O)NCC[S@@](C)=O)CC1 ZINC000804992064 582143136 /nfs/dbraw/zinc/14/31/36/582143136.db2.gz VJUSZZAYBVJJCS-GOSISDBHSA-N 1 2 275.374 -1.355 20 0 CAADLO CCN1C(=O)[C@H]2C[N@H+](CCS(C)(=O)=O)CCN2C1=O ZINC000752094526 582143687 /nfs/dbraw/zinc/14/36/87/582143687.db2.gz MLPMNDODJWTZGO-SECBINFHSA-N 1 2 289.357 -1.001 20 0 CAADLO CCN1C(=O)[C@H]2C[N@@H+](CCS(C)(=O)=O)CCN2C1=O ZINC000752094526 582143688 /nfs/dbraw/zinc/14/36/88/582143688.db2.gz MLPMNDODJWTZGO-SECBINFHSA-N 1 2 289.357 -1.001 20 0 CAADLO CC[N@H+](CCN1C(=O)CNC1=O)CCS(C)(=O)=O ZINC000753204566 582144207 /nfs/dbraw/zinc/14/42/07/582144207.db2.gz UUVGGJQJXFBZAJ-UHFFFAOYSA-N 1 2 277.346 -1.095 20 0 CAADLO CC[N@@H+](CCN1C(=O)CNC1=O)CCS(C)(=O)=O ZINC000753204566 582144208 /nfs/dbraw/zinc/14/42/08/582144208.db2.gz UUVGGJQJXFBZAJ-UHFFFAOYSA-N 1 2 277.346 -1.095 20 0 CAADLO CON(C)C(=O)C[N@@H+]1CCC[C@@H](S(N)(=O)=O)C1 ZINC000754113431 582144476 /nfs/dbraw/zinc/14/44/76/582144476.db2.gz ITQDXWOEWPLJAA-MRVPVSSYSA-N 1 2 265.335 -1.241 20 0 CAADLO CON(C)C(=O)C[N@H+]1CCC[C@@H](S(N)(=O)=O)C1 ZINC000754113431 582144477 /nfs/dbraw/zinc/14/44/77/582144477.db2.gz ITQDXWOEWPLJAA-MRVPVSSYSA-N 1 2 265.335 -1.241 20 0 CAADLO NS(=O)(=O)CC[N@H+](CCO)CCN1CCOCC1 ZINC000754833252 582144713 /nfs/dbraw/zinc/14/47/13/582144713.db2.gz BWUJIHHLFGCGAI-UHFFFAOYSA-N 1 2 281.378 -2.099 20 0 CAADLO NS(=O)(=O)CC[N@@H+](CCO)CCN1CCOCC1 ZINC000754833252 582144715 /nfs/dbraw/zinc/14/47/15/582144715.db2.gz BWUJIHHLFGCGAI-UHFFFAOYSA-N 1 2 281.378 -2.099 20 0 CAADLO COC[C@](C)(O)C(=O)N1CC[NH+](CC[S@](C)=O)CC1 ZINC000755012112 582144919 /nfs/dbraw/zinc/14/49/19/582144919.db2.gz IOGOLNHQKCETBH-BUXKBTBVSA-N 1 2 292.401 -1.094 20 0 CAADLO N=C1NC(=O)[C@H](CC(=O)N2CC[NH+](CCO)CC2)S1 ZINC000755144815 582144942 /nfs/dbraw/zinc/14/49/42/582144942.db2.gz CKSSWFAIWXYTAS-QMMMGPOBSA-N 1 2 286.357 -1.321 20 0 CAADLO OC[C@@]1(NC(=S)NCC[NH+]2CCOCC2)CCOC1 ZINC000757947014 582145741 /nfs/dbraw/zinc/14/57/41/582145741.db2.gz SUFAZZAGFSIMMY-LBPRGKRZSA-N 1 2 289.401 -1.066 20 0 CAADLO CNC(=O)[C@H](O)CNc1[nH+]cnc2c1cnn2C ZINC000758113459 582145834 /nfs/dbraw/zinc/14/58/34/582145834.db2.gz ICWDOZIANAONLR-SSDOTTSWSA-N 1 2 250.262 -1.118 20 0 CAADLO COCC(=O)N(C)CC(=O)OCC[NH+]1CCOCC1 ZINC000758801223 582146741 /nfs/dbraw/zinc/14/67/41/582146741.db2.gz WNBXCLJYOBPEJZ-UHFFFAOYSA-N 1 2 274.317 -1.033 20 0 CAADLO CCS(=O)(=O)CC[N@H+](C)CCC(=O)NC(N)=O ZINC000759376454 582147050 /nfs/dbraw/zinc/14/70/50/582147050.db2.gz KNMZNKVRQLWWFJ-UHFFFAOYSA-N 1 2 265.335 -1.062 20 0 CAADLO CCS(=O)(=O)CC[N@@H+](C)CCC(=O)NC(N)=O ZINC000759376454 582147053 /nfs/dbraw/zinc/14/70/53/582147053.db2.gz KNMZNKVRQLWWFJ-UHFFFAOYSA-N 1 2 265.335 -1.062 20 0 CAADLO CC(C)NC(=O)C[N@H+](C)CC(=O)NCc1cnn(C)n1 ZINC000805205976 582147550 /nfs/dbraw/zinc/14/75/50/582147550.db2.gz VRDCWWGLRFIZJO-UHFFFAOYSA-N 1 2 282.348 -1.112 20 0 CAADLO CC(C)NC(=O)C[N@@H+](C)CC(=O)NCc1cnn(C)n1 ZINC000805205976 582147551 /nfs/dbraw/zinc/14/75/51/582147551.db2.gz VRDCWWGLRFIZJO-UHFFFAOYSA-N 1 2 282.348 -1.112 20 0 CAADLO CCOC(=O)[C@H]1NC(=O)N(C[C@H]2CN(C)CC[N@@H+]2C)C1=O ZINC000761270127 582147798 /nfs/dbraw/zinc/14/77/98/582147798.db2.gz CJFWNDRLGFKGMA-ZJUUUORDSA-N 1 2 298.343 -1.284 20 0 CAADLO CCOC(=O)[C@H]1NC(=O)N(C[C@H]2CN(C)CC[N@H+]2C)C1=O ZINC000761270127 582147799 /nfs/dbraw/zinc/14/77/99/582147799.db2.gz CJFWNDRLGFKGMA-ZJUUUORDSA-N 1 2 298.343 -1.284 20 0 CAADLO CCOC(=O)[C@@H]1NC(=O)N(C[C@H]2CN(C)CC[N@@H+]2C)C1=O ZINC000761270094 582147829 /nfs/dbraw/zinc/14/78/29/582147829.db2.gz CJFWNDRLGFKGMA-NXEZZACHSA-N 1 2 298.343 -1.284 20 0 CAADLO CCOC(=O)[C@@H]1NC(=O)N(C[C@H]2CN(C)CC[N@H+]2C)C1=O ZINC000761270094 582147830 /nfs/dbraw/zinc/14/78/30/582147830.db2.gz CJFWNDRLGFKGMA-NXEZZACHSA-N 1 2 298.343 -1.284 20 0 CAADLO CC(=O)N1CCN(C(=O)C[N@@H+]2CCOC[C@@H]2CCO)CC1 ZINC000762337540 582148152 /nfs/dbraw/zinc/14/81/52/582148152.db2.gz HVCHEZBSDXFKOA-ZDUSSCGKSA-N 1 2 299.371 -1.240 20 0 CAADLO CC(=O)N1CCN(C(=O)C[N@H+]2CCOC[C@@H]2CCO)CC1 ZINC000762337540 582148154 /nfs/dbraw/zinc/14/81/54/582148154.db2.gz HVCHEZBSDXFKOA-ZDUSSCGKSA-N 1 2 299.371 -1.240 20 0 CAADLO CC(=O)N1CCN(C(=O)C[N@@H+]2CCOC[C@H]2CCO)CC1 ZINC000762337534 582148170 /nfs/dbraw/zinc/14/81/70/582148170.db2.gz HVCHEZBSDXFKOA-CYBMUJFWSA-N 1 2 299.371 -1.240 20 0 CAADLO CC(=O)N1CCN(C(=O)C[N@H+]2CCOC[C@H]2CCO)CC1 ZINC000762337534 582148172 /nfs/dbraw/zinc/14/81/72/582148172.db2.gz HVCHEZBSDXFKOA-CYBMUJFWSA-N 1 2 299.371 -1.240 20 0 CAADLO CC[N@H+](CC(=O)NC)[C@H](C)C(=O)NCC(=O)OC ZINC000764200971 582149108 /nfs/dbraw/zinc/14/91/08/582149108.db2.gz DFMWBMIUJGXEQU-MRVPVSSYSA-N 1 2 259.306 -1.268 20 0 CAADLO CC[N@@H+](CC(=O)NC)[C@H](C)C(=O)NCC(=O)OC ZINC000764200971 582149110 /nfs/dbraw/zinc/14/91/10/582149110.db2.gz DFMWBMIUJGXEQU-MRVPVSSYSA-N 1 2 259.306 -1.268 20 0 CAADLO CS(=O)(=O)N[C@H]1CCC[N@@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC000765963602 582150338 /nfs/dbraw/zinc/15/03/38/582150338.db2.gz KOWKRCUODIBGHP-DTWKUNHWSA-N 1 2 289.357 -1.195 20 0 CAADLO CS(=O)(=O)N[C@H]1CCC[N@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC000765963602 582150339 /nfs/dbraw/zinc/15/03/39/582150339.db2.gz KOWKRCUODIBGHP-DTWKUNHWSA-N 1 2 289.357 -1.195 20 0 CAADLO CS(=O)(=O)N[C@@H]1CCC[N@@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC000765963544 582150342 /nfs/dbraw/zinc/15/03/42/582150342.db2.gz KOWKRCUODIBGHP-BDAKNGLRSA-N 1 2 289.357 -1.195 20 0 CAADLO CS(=O)(=O)N[C@@H]1CCC[N@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC000765963544 582150343 /nfs/dbraw/zinc/15/03/43/582150343.db2.gz KOWKRCUODIBGHP-BDAKNGLRSA-N 1 2 289.357 -1.195 20 0 CAADLO NC(=O)C[N@@H+]1CCCN(C(=O)[C@@]2(O)CCSC2)CC1 ZINC000765778453 582150350 /nfs/dbraw/zinc/15/03/50/582150350.db2.gz PFQHKTZRPAHGJU-GFCCVEGCSA-N 1 2 287.385 -1.126 20 0 CAADLO NC(=O)C[N@H+]1CCCN(C(=O)[C@@]2(O)CCSC2)CC1 ZINC000765778453 582150351 /nfs/dbraw/zinc/15/03/51/582150351.db2.gz PFQHKTZRPAHGJU-GFCCVEGCSA-N 1 2 287.385 -1.126 20 0 CAADLO NC(=O)C[N@@H+]1CCCN(C(=O)[C@]2(O)CCSC2)CC1 ZINC000765778455 582150356 /nfs/dbraw/zinc/15/03/56/582150356.db2.gz PFQHKTZRPAHGJU-LBPRGKRZSA-N 1 2 287.385 -1.126 20 0 CAADLO NC(=O)C[N@H+]1CCCN(C(=O)[C@]2(O)CCSC2)CC1 ZINC000765778455 582150357 /nfs/dbraw/zinc/15/03/57/582150357.db2.gz PFQHKTZRPAHGJU-LBPRGKRZSA-N 1 2 287.385 -1.126 20 0 CAADLO COCC(=O)N1CC[NH+]([C@@H]2CCC(=O)NC2=O)CC1 ZINC000765965917 582150364 /nfs/dbraw/zinc/15/03/64/582150364.db2.gz RRPQPJSGAYRBIX-SECBINFHSA-N 1 2 269.301 -1.418 20 0 CAADLO C[N@H+](CC(=O)N1CCOCC1)[C@H]1CCC(=O)NC1=O ZINC000765963002 582150372 /nfs/dbraw/zinc/15/03/72/582150372.db2.gz IUPJCWSVVKWHNN-VIFPVBQESA-N 1 2 269.301 -1.418 20 0 CAADLO C[N@@H+](CC(=O)N1CCOCC1)[C@H]1CCC(=O)NC1=O ZINC000765963002 582150373 /nfs/dbraw/zinc/15/03/73/582150373.db2.gz IUPJCWSVVKWHNN-VIFPVBQESA-N 1 2 269.301 -1.418 20 0 CAADLO CNC(=O)CNS(=O)(=O)CCC[NH+]1CCOCC1 ZINC000766020288 582150559 /nfs/dbraw/zinc/15/05/59/582150559.db2.gz BJSRYPAGKUXUNS-UHFFFAOYSA-N 1 2 279.362 -1.626 20 0 CAADLO O=C(C[C@@H]1NC(=O)NC1=O)OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000767589599 582151526 /nfs/dbraw/zinc/15/15/26/582151526.db2.gz VVMAVBBPFGYADV-AEJSXWLSSA-N 1 2 297.311 -1.009 20 0 CAADLO O=C(C[C@@H]1NC(=O)NC1=O)OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000767589599 582151527 /nfs/dbraw/zinc/15/15/27/582151527.db2.gz VVMAVBBPFGYADV-AEJSXWLSSA-N 1 2 297.311 -1.009 20 0 CAADLO COC(=O)C1(C(=O)N2CCC[N@H+](CC(N)=O)CC2)CC1 ZINC000767958967 582151611 /nfs/dbraw/zinc/15/16/11/582151611.db2.gz JGDOOGICVMSNPF-UHFFFAOYSA-N 1 2 283.328 -1.041 20 0 CAADLO COC(=O)C1(C(=O)N2CCC[N@@H+](CC(N)=O)CC2)CC1 ZINC000767958967 582151612 /nfs/dbraw/zinc/15/16/12/582151612.db2.gz JGDOOGICVMSNPF-UHFFFAOYSA-N 1 2 283.328 -1.041 20 0 CAADLO C[N@@H+]1CCO[C@@H](C(=O)N2CCOC[C@H]2CCO)C1 ZINC000769053454 582151880 /nfs/dbraw/zinc/15/18/80/582151880.db2.gz GFSCDJVPIDDVAQ-GHMZBOCLSA-N 1 2 258.318 -1.073 20 0 CAADLO C[N@H+]1CCO[C@@H](C(=O)N2CCOC[C@H]2CCO)C1 ZINC000769053454 582151881 /nfs/dbraw/zinc/15/18/81/582151881.db2.gz GFSCDJVPIDDVAQ-GHMZBOCLSA-N 1 2 258.318 -1.073 20 0 CAADLO C[N@@H+]1CCO[C@H](C(=O)N2CCOC[C@H]2CCO)C1 ZINC000769053462 582151898 /nfs/dbraw/zinc/15/18/98/582151898.db2.gz GFSCDJVPIDDVAQ-MNOVXSKESA-N 1 2 258.318 -1.073 20 0 CAADLO C[N@H+]1CCO[C@H](C(=O)N2CCOC[C@H]2CCO)C1 ZINC000769053462 582151900 /nfs/dbraw/zinc/15/19/00/582151900.db2.gz GFSCDJVPIDDVAQ-MNOVXSKESA-N 1 2 258.318 -1.073 20 0 CAADLO Cn1nnnc1N1CC[NH+](CC[S@](C)=O)CC1 ZINC000771144965 582152738 /nfs/dbraw/zinc/15/27/38/582152738.db2.gz KDHSLMATCINSKO-KRWDZBQOSA-N 1 2 258.351 -1.289 20 0 CAADLO COC(=O)NCC(=O)N(CCO)CC[NH+]1CCOCC1 ZINC000771814615 582152989 /nfs/dbraw/zinc/15/29/89/582152989.db2.gz GVHGWJBZNKWKGL-UHFFFAOYSA-N 1 2 289.332 -1.505 20 0 CAADLO C[C@H]1CN(C(=O)C[N@@H+]2CC[C@@H](S(N)(=O)=O)C2)CCO1 ZINC000772222675 582153144 /nfs/dbraw/zinc/15/31/44/582153144.db2.gz MDYWECLNXIWPTR-VHSXEESVSA-N 1 2 291.373 -1.404 20 0 CAADLO C[C@H]1CN(C(=O)C[N@H+]2CC[C@@H](S(N)(=O)=O)C2)CCO1 ZINC000772222675 582153145 /nfs/dbraw/zinc/15/31/45/582153145.db2.gz MDYWECLNXIWPTR-VHSXEESVSA-N 1 2 291.373 -1.404 20 0 CAADLO CC[N@@H+]1CCO[C@@H](C(=O)OCCCS(N)(=O)=O)C1 ZINC000805469790 582153687 /nfs/dbraw/zinc/15/36/87/582153687.db2.gz IZGXZCIEQOMMJB-SECBINFHSA-N 1 2 280.346 -1.071 20 0 CAADLO CC[N@H+]1CCO[C@@H](C(=O)OCCCS(N)(=O)=O)C1 ZINC000805469790 582153689 /nfs/dbraw/zinc/15/36/89/582153689.db2.gz IZGXZCIEQOMMJB-SECBINFHSA-N 1 2 280.346 -1.071 20 0 CAADLO NC(=O)C[N@@H+]1CCCN(C(=O)C2(O)CCC2)CC1 ZINC000772844973 582153724 /nfs/dbraw/zinc/15/37/24/582153724.db2.gz YBOUFBDPFLPGHJ-UHFFFAOYSA-N 1 2 255.318 -1.079 20 0 CAADLO NC(=O)C[N@H+]1CCCN(C(=O)C2(O)CCC2)CC1 ZINC000772844973 582153725 /nfs/dbraw/zinc/15/37/25/582153725.db2.gz YBOUFBDPFLPGHJ-UHFFFAOYSA-N 1 2 255.318 -1.079 20 0 CAADLO CC[N@@H+]1CCO[C@H](C(=O)OCCCS(N)(=O)=O)C1 ZINC000805469793 582153749 /nfs/dbraw/zinc/15/37/49/582153749.db2.gz IZGXZCIEQOMMJB-VIFPVBQESA-N 1 2 280.346 -1.071 20 0 CAADLO CC[N@H+]1CCO[C@H](C(=O)OCCCS(N)(=O)=O)C1 ZINC000805469793 582153750 /nfs/dbraw/zinc/15/37/50/582153750.db2.gz IZGXZCIEQOMMJB-VIFPVBQESA-N 1 2 280.346 -1.071 20 0 CAADLO CC[N@@H+]1CCO[C@@H](C(=O)OCc2nnnn2C)C1 ZINC000805474345 582153870 /nfs/dbraw/zinc/15/38/70/582153870.db2.gz AMKHFXZHEBVEIR-MRVPVSSYSA-N 1 2 255.278 -1.026 20 0 CAADLO CC[N@H+]1CCO[C@@H](C(=O)OCc2nnnn2C)C1 ZINC000805474345 582153871 /nfs/dbraw/zinc/15/38/71/582153871.db2.gz AMKHFXZHEBVEIR-MRVPVSSYSA-N 1 2 255.278 -1.026 20 0 CAADLO O=C(CC1OCCCO1)N[C@@H](CO)C[NH+]1CCOCC1 ZINC000773369910 582154075 /nfs/dbraw/zinc/15/40/75/582154075.db2.gz JYBYELIGCJEBBO-LLVKDONJSA-N 1 2 288.344 -1.051 20 0 CAADLO O=C(CC1OCCCO1)N[C@H](CO)C[NH+]1CCOCC1 ZINC000773369921 582154127 /nfs/dbraw/zinc/15/41/27/582154127.db2.gz JYBYELIGCJEBBO-NSHDSACASA-N 1 2 288.344 -1.051 20 0 CAADLO Cn1cc([C@H](O)C(=O)N2CC[NH+](CCO)CC2)cn1 ZINC000773770585 582154224 /nfs/dbraw/zinc/15/42/24/582154224.db2.gz GXPNGKNPORLITR-NSHDSACASA-N 1 2 268.317 -1.410 20 0 CAADLO CON(C)C(=O)CN(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000774659072 582154883 /nfs/dbraw/zinc/15/48/83/582154883.db2.gz GHERCTWPUNCUJH-NSHDSACASA-N 1 2 275.349 -1.369 20 0 CAADLO CON(C)C(=O)CN1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000774647317 582154906 /nfs/dbraw/zinc/15/49/06/582154906.db2.gz GCRPJQYLSFKLLM-UHFFFAOYSA-N 1 2 272.349 -1.112 20 0 CAADLO CCN1C(=O)[C@@H]2C[N@H+](CC(=O)N(C)OC)CCN2C1=O ZINC000774660535 582154908 /nfs/dbraw/zinc/15/49/08/582154908.db2.gz OFTUDXLQJHJZCH-VIFPVBQESA-N 1 2 284.316 -1.026 20 0 CAADLO CCN1C(=O)[C@@H]2C[N@@H+](CC(=O)N(C)OC)CCN2C1=O ZINC000774660535 582154909 /nfs/dbraw/zinc/15/49/09/582154909.db2.gz OFTUDXLQJHJZCH-VIFPVBQESA-N 1 2 284.316 -1.026 20 0 CAADLO C[C@@H]1CN(C)C(=O)CN1C(=O)C(=O)NCCn1cc[nH+]c1 ZINC000775099019 582155086 /nfs/dbraw/zinc/15/50/86/582155086.db2.gz KCMYCCDECJKKPN-SNVBAGLBSA-N 1 2 293.327 -1.312 20 0 CAADLO CCN1CCOC[C@H]1C(=O)N1CCC[N@H+](CC(N)=O)CC1 ZINC000775602716 582155323 /nfs/dbraw/zinc/15/53/23/582155323.db2.gz RTOXNUPDJZHKOU-LBPRGKRZSA-N 1 2 298.387 -1.273 20 0 CAADLO CCN1CCOC[C@H]1C(=O)N1CCC[N@@H+](CC(N)=O)CC1 ZINC000775602716 582155324 /nfs/dbraw/zinc/15/53/24/582155324.db2.gz RTOXNUPDJZHKOU-LBPRGKRZSA-N 1 2 298.387 -1.273 20 0 CAADLO C[C@@H]1C[N@H+](CCNC(=O)N2C[C@H](O)C[C@H]2CO)CCO1 ZINC000776129651 582155427 /nfs/dbraw/zinc/15/54/27/582155427.db2.gz RGCULHKHMYNKPO-GRYCIOLGSA-N 1 2 287.360 -1.156 20 0 CAADLO C[C@@H]1C[N@@H+](CCNC(=O)N2C[C@H](O)C[C@H]2CO)CCO1 ZINC000776129651 582155428 /nfs/dbraw/zinc/15/54/28/582155428.db2.gz RGCULHKHMYNKPO-GRYCIOLGSA-N 1 2 287.360 -1.156 20 0 CAADLO C[C@H]1C[N@H+](CCNC(=O)N2C[C@@H](O)C[C@H]2CO)CCO1 ZINC000776129653 582155477 /nfs/dbraw/zinc/15/54/77/582155477.db2.gz RGCULHKHMYNKPO-SRVKXCTJSA-N 1 2 287.360 -1.156 20 0 CAADLO C[C@H]1C[N@@H+](CCNC(=O)N2C[C@@H](O)C[C@H]2CO)CCO1 ZINC000776129653 582155478 /nfs/dbraw/zinc/15/54/78/582155478.db2.gz RGCULHKHMYNKPO-SRVKXCTJSA-N 1 2 287.360 -1.156 20 0 CAADLO OC1CN(CC2OCCO2)CC[N@H+](CC2OCCO2)C1 ZINC000777711406 582156179 /nfs/dbraw/zinc/15/61/79/582156179.db2.gz BNBPGKXPNCALKQ-UHFFFAOYSA-N 1 2 288.344 -1.289 20 0 CAADLO OC1CN(CC2OCCO2)CC[N@@H+](CC2OCCO2)C1 ZINC000777711406 582156180 /nfs/dbraw/zinc/15/61/80/582156180.db2.gz BNBPGKXPNCALKQ-UHFFFAOYSA-N 1 2 288.344 -1.289 20 0 CAADLO COC(=O)[C@H](Cn1ccnc1)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000779567077 582157495 /nfs/dbraw/zinc/15/74/95/582157495.db2.gz UJNQSOBFYRPHAK-WDEREUQCSA-N 1 2 296.327 -1.129 20 0 CAADLO COC(=O)[C@H](Cn1ccnc1)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000779567077 582157497 /nfs/dbraw/zinc/15/74/97/582157497.db2.gz UJNQSOBFYRPHAK-WDEREUQCSA-N 1 2 296.327 -1.129 20 0 CAADLO COC(=O)[C@H](Cn1ccnc1)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000779567076 582157528 /nfs/dbraw/zinc/15/75/28/582157528.db2.gz UJNQSOBFYRPHAK-QWRGUYRKSA-N 1 2 296.327 -1.129 20 0 CAADLO COC(=O)[C@H](Cn1ccnc1)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000779567076 582157530 /nfs/dbraw/zinc/15/75/30/582157530.db2.gz UJNQSOBFYRPHAK-QWRGUYRKSA-N 1 2 296.327 -1.129 20 0 CAADLO CC(C)(C)NC(=O)CNC(=O)CO[NH+]=C(N)CCO ZINC000780125676 582157588 /nfs/dbraw/zinc/15/75/88/582157588.db2.gz PNFGIPBRHJEDQI-UHFFFAOYSA-N 1 2 274.321 -1.102 20 0 CAADLO NC(CCO)=[NH+]OCC(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000780128001 582157631 /nfs/dbraw/zinc/15/76/31/582157631.db2.gz RXYPPWULLWDTCT-UHFFFAOYSA-N 1 2 298.343 -1.052 20 0 CAADLO COC(=O)CCNC(=O)C[N@@H+]1CCCN(C=O)CC1 ZINC000781560722 582158429 /nfs/dbraw/zinc/15/84/29/582158429.db2.gz CRWFAOAPZRHJMZ-UHFFFAOYSA-N 1 2 271.317 -1.170 20 0 CAADLO COC(=O)CCNC(=O)C[N@H+]1CCCN(C=O)CC1 ZINC000781560722 582158430 /nfs/dbraw/zinc/15/84/30/582158430.db2.gz CRWFAOAPZRHJMZ-UHFFFAOYSA-N 1 2 271.317 -1.170 20 0 CAADLO CNC(=O)[C@H]1C[N@H+](CCN2CCOC2=O)CCO1 ZINC000782096799 582158574 /nfs/dbraw/zinc/15/85/74/582158574.db2.gz GJHCZMCWPQJEHW-SECBINFHSA-N 1 2 257.290 -1.115 20 0 CAADLO CNC(=O)[C@H]1C[N@@H+](CCN2CCOC2=O)CCO1 ZINC000782096799 582158575 /nfs/dbraw/zinc/15/85/75/582158575.db2.gz GJHCZMCWPQJEHW-SECBINFHSA-N 1 2 257.290 -1.115 20 0 CAADLO C[C@@H](C[NH+]1CCOCC1)OC(=O)[C@H]1CNC(=O)N1 ZINC000782276388 582158681 /nfs/dbraw/zinc/15/86/81/582158681.db2.gz VHDUJPUBLFGCOD-DTWKUNHWSA-N 1 2 257.290 -1.068 20 0 CAADLO C[C@H](C[NH+]1CCOCC1)OC(=O)[C@@H]1CNC(=O)N1 ZINC000782276379 582158687 /nfs/dbraw/zinc/15/86/87/582158687.db2.gz VHDUJPUBLFGCOD-BDAKNGLRSA-N 1 2 257.290 -1.068 20 0 CAADLO COC(=O)[C@@H]1CC(=O)N(C[N@H+](C)[C@H]2CCNC2=O)C1 ZINC000782269607 582158701 /nfs/dbraw/zinc/15/87/01/582158701.db2.gz BCESMAAUWFSNGV-BDAKNGLRSA-N 1 2 269.301 -1.214 20 0 CAADLO COC(=O)[C@@H]1CC(=O)N(C[N@@H+](C)[C@H]2CCNC2=O)C1 ZINC000782269607 582158702 /nfs/dbraw/zinc/15/87/02/582158702.db2.gz BCESMAAUWFSNGV-BDAKNGLRSA-N 1 2 269.301 -1.214 20 0 CAADLO C[C@H](C[NH+]1CCOCC1)OC(=O)CN1CC(=O)NC1=O ZINC000782276219 582158739 /nfs/dbraw/zinc/15/87/39/582158739.db2.gz TUECQDKRIFTLGI-SECBINFHSA-N 1 2 285.300 -1.198 20 0 CAADLO C[C@@H](C[NH+]1CCOCC1)OC(=O)C[C@@H]1NC(=O)NC1=O ZINC000782297960 582158761 /nfs/dbraw/zinc/15/87/61/582158761.db2.gz FJDKBRXCLXHEEI-IUCAKERBSA-N 1 2 285.300 -1.152 20 0 CAADLO COC(=O)[C@H]1CC(=O)N(C[N@H+](C)[C@@H]2CCNC2=O)C1 ZINC000782269614 582158786 /nfs/dbraw/zinc/15/87/86/582158786.db2.gz BCESMAAUWFSNGV-DTWKUNHWSA-N 1 2 269.301 -1.214 20 0 CAADLO COC(=O)[C@H]1CC(=O)N(C[N@@H+](C)[C@@H]2CCNC2=O)C1 ZINC000782269614 582158788 /nfs/dbraw/zinc/15/87/88/582158788.db2.gz BCESMAAUWFSNGV-DTWKUNHWSA-N 1 2 269.301 -1.214 20 0 CAADLO C[C@@H]1CN(C)C(=O)C[N@@H+]1CCN1C(=O)CNC1=O ZINC000782595508 582159008 /nfs/dbraw/zinc/15/90/08/582159008.db2.gz KLSPGYWERSNZRR-MRVPVSSYSA-N 1 2 254.290 -1.299 20 0 CAADLO C[C@@H]1CN(C)C(=O)C[N@H+]1CCN1C(=O)CNC1=O ZINC000782595508 582159010 /nfs/dbraw/zinc/15/90/10/582159010.db2.gz KLSPGYWERSNZRR-MRVPVSSYSA-N 1 2 254.290 -1.299 20 0 CAADLO C[C@H](NC(=O)C[N@@H+]1C[C@@H]2C[C@]2(CO)C1)C(=O)N(C)C ZINC000782635145 582159169 /nfs/dbraw/zinc/15/91/69/582159169.db2.gz TZNXIYNAEZCHOX-OUJBWJOFSA-N 1 2 269.345 -1.107 20 0 CAADLO C[C@H](NC(=O)C[N@H+]1C[C@@H]2C[C@]2(CO)C1)C(=O)N(C)C ZINC000782635145 582159170 /nfs/dbraw/zinc/15/91/70/582159170.db2.gz TZNXIYNAEZCHOX-OUJBWJOFSA-N 1 2 269.345 -1.107 20 0 CAADLO CNS(=O)(=O)CCC(=O)OCC[NH+]1CCOCC1 ZINC000783185589 582159369 /nfs/dbraw/zinc/15/93/69/582159369.db2.gz PIUGOMAWPQPWFG-UHFFFAOYSA-N 1 2 280.346 -1.199 20 0 CAADLO C[C@@H](C[NH+]1CCOCC1)OC(=O)c1cn(CC(N)=O)nn1 ZINC000784917930 582160106 /nfs/dbraw/zinc/16/01/06/582160106.db2.gz JETUKXMHEHKDHB-VIFPVBQESA-N 1 2 297.315 -1.359 20 0 CAADLO NC(=O)COC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000785656967 582160186 /nfs/dbraw/zinc/16/01/86/582160186.db2.gz LVTBPNOGDOFDTR-SNVBAGLBSA-N 1 2 299.327 -1.804 20 0 CAADLO Cn1ncc(C(=O)NCCC[N@@H+]2CCNC(=O)C2)n1 ZINC000786448315 582160791 /nfs/dbraw/zinc/16/07/91/582160791.db2.gz QHVKFDIAUIRNEW-UHFFFAOYSA-N 1 2 266.305 -1.633 20 0 CAADLO Cn1ncc(C(=O)NCCC[N@H+]2CCNC(=O)C2)n1 ZINC000786448315 582160792 /nfs/dbraw/zinc/16/07/92/582160792.db2.gz QHVKFDIAUIRNEW-UHFFFAOYSA-N 1 2 266.305 -1.633 20 0 CAADLO NC(=O)C[N@@H+]1CCCN(C(=O)C(=O)NCC2CC2)CC1 ZINC000788503989 582162013 /nfs/dbraw/zinc/16/20/13/582162013.db2.gz MYCIABKIYPVMPF-UHFFFAOYSA-N 1 2 282.344 -1.468 20 0 CAADLO NC(=O)C[N@H+]1CCCN(C(=O)C(=O)NCC2CC2)CC1 ZINC000788503989 582162014 /nfs/dbraw/zinc/16/20/14/582162014.db2.gz MYCIABKIYPVMPF-UHFFFAOYSA-N 1 2 282.344 -1.468 20 0 CAADLO C[N@@H+]1CCC[C@H](NC(=O)C(=O)NCCS(C)(=O)=O)C1 ZINC000788399393 582162033 /nfs/dbraw/zinc/16/20/33/582162033.db2.gz YRECKYQOTAYFPL-VIFPVBQESA-N 1 2 291.373 -1.642 20 0 CAADLO C[N@H+]1CCC[C@H](NC(=O)C(=O)NCCS(C)(=O)=O)C1 ZINC000788399393 582162034 /nfs/dbraw/zinc/16/20/34/582162034.db2.gz YRECKYQOTAYFPL-VIFPVBQESA-N 1 2 291.373 -1.642 20 0 CAADLO COCCONC(=O)N(CCO)CC[NH+]1CCOCC1 ZINC000789350459 582162329 /nfs/dbraw/zinc/16/23/29/582162329.db2.gz YZORLZYUVHWXJF-UHFFFAOYSA-N 1 2 291.348 -1.100 20 0 CAADLO O=C(CN1CCOCC1=O)OCC[NH+]1CCOCC1 ZINC000790732357 582162770 /nfs/dbraw/zinc/16/27/70/582162770.db2.gz CUXXIABIYTUGHE-UHFFFAOYSA-N 1 2 272.301 -1.279 20 0 CAADLO CN(C)C(=O)C[NH+]1CCN(C(=O)CC2OCCO2)CC1 ZINC000792842136 582163682 /nfs/dbraw/zinc/16/36/82/582163682.db2.gz FUTNGBOADOFEOT-UHFFFAOYSA-N 1 2 285.344 -1.018 20 0 CAADLO C[C@H]1CN(C(=O)c2cnn(C)n2)CC[N@@H+]1CCO ZINC000793467749 582163776 /nfs/dbraw/zinc/16/37/76/582163776.db2.gz BXDQKSSMDBOTQX-VIFPVBQESA-N 1 2 253.306 -1.046 20 0 CAADLO C[C@H]1CN(C(=O)c2cnn(C)n2)CC[N@H+]1CCO ZINC000793467749 582163777 /nfs/dbraw/zinc/16/37/77/582163777.db2.gz BXDQKSSMDBOTQX-VIFPVBQESA-N 1 2 253.306 -1.046 20 0 CAADLO CNC(=O)[C@H](C)NC(=S)NCC[NH+]1CCOCC1 ZINC000793325315 582163862 /nfs/dbraw/zinc/16/38/62/582163862.db2.gz CQOBPEQMQUMFEX-VIFPVBQESA-N 1 2 274.390 -1.083 20 0 CAADLO CON(C)C(=O)C[N@H+](C)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000794801561 582165147 /nfs/dbraw/zinc/16/51/47/582165147.db2.gz HMQWAPMRYRWBQN-SECBINFHSA-N 1 2 279.362 -1.028 20 0 CAADLO CON(C)C(=O)C[N@H+](C)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000794801562 582165161 /nfs/dbraw/zinc/16/51/61/582165161.db2.gz HMQWAPMRYRWBQN-VIFPVBQESA-N 1 2 279.362 -1.028 20 0 CAADLO CON(C)C(=O)C[N@@H+](C)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000794801562 582165162 /nfs/dbraw/zinc/16/51/62/582165162.db2.gz HMQWAPMRYRWBQN-VIFPVBQESA-N 1 2 279.362 -1.028 20 0 CAADLO COC(=O)[C@H]1[C@@H]2C[N@@H+](CC(=O)N[C@@H](C)C(=O)N(C)C)C[C@@H]21 ZINC000794953779 582165234 /nfs/dbraw/zinc/16/52/34/582165234.db2.gz QLOJVETVKPRDJK-UXCLJVHYSA-N 1 2 297.355 -1.070 20 0 CAADLO COC(=O)[C@H]1[C@@H]2C[N@H+](CC(=O)N[C@@H](C)C(=O)N(C)C)C[C@@H]21 ZINC000794953779 582165236 /nfs/dbraw/zinc/16/52/36/582165236.db2.gz QLOJVETVKPRDJK-UXCLJVHYSA-N 1 2 297.355 -1.070 20 0 CAADLO COC(=O)[C@H]1[C@@H]2C[N@@H+](CC(=O)N[C@H](C)C(=O)N(C)C)C[C@@H]21 ZINC000794953777 582165243 /nfs/dbraw/zinc/16/52/43/582165243.db2.gz QLOJVETVKPRDJK-SVDPJWKOSA-N 1 2 297.355 -1.070 20 0 CAADLO COC(=O)[C@H]1[C@@H]2C[N@H+](CC(=O)N[C@H](C)C(=O)N(C)C)C[C@@H]21 ZINC000794953777 582165245 /nfs/dbraw/zinc/16/52/45/582165245.db2.gz QLOJVETVKPRDJK-SVDPJWKOSA-N 1 2 297.355 -1.070 20 0 CAADLO CN(C)S(=O)(=O)[C@@H]1CCC[N@H+](CCS(N)(=O)=O)C1 ZINC000796133793 582166117 /nfs/dbraw/zinc/16/61/17/582166117.db2.gz YLQWXWNJDPJCNZ-SECBINFHSA-N 1 2 299.418 -1.369 20 0 CAADLO CN(C)S(=O)(=O)[C@@H]1CCC[N@@H+](CCS(N)(=O)=O)C1 ZINC000796133793 582166118 /nfs/dbraw/zinc/16/61/18/582166118.db2.gz YLQWXWNJDPJCNZ-SECBINFHSA-N 1 2 299.418 -1.369 20 0 CAADLO COCCCNC(=O)C[N@H+](C)[C@@H]1CCC(=O)NC1=O ZINC000799110090 582167038 /nfs/dbraw/zinc/16/70/38/582167038.db2.gz QSVUFFJUFNJKEI-SECBINFHSA-N 1 2 271.317 -1.124 20 0 CAADLO COCCCNC(=O)C[N@@H+](C)[C@@H]1CCC(=O)NC1=O ZINC000799110090 582167039 /nfs/dbraw/zinc/16/70/39/582167039.db2.gz QSVUFFJUFNJKEI-SECBINFHSA-N 1 2 271.317 -1.124 20 0 CAADLO O=C1OC[C@H]2C[N@@H+]([C@@H]3CCC(=O)NC3=O)CCN12 ZINC000799126539 582167069 /nfs/dbraw/zinc/16/70/69/582167069.db2.gz GARPWGNNCYZDPV-HTQZYQBOSA-N 1 2 253.258 -1.072 20 0 CAADLO O=C1OC[C@H]2C[N@H+]([C@@H]3CCC(=O)NC3=O)CCN12 ZINC000799126539 582167071 /nfs/dbraw/zinc/16/70/71/582167071.db2.gz GARPWGNNCYZDPV-HTQZYQBOSA-N 1 2 253.258 -1.072 20 0 CAADLO COCCCNC(=O)C[N@H+](C)[C@H]1CCC(=O)NC1=O ZINC000799110091 582167133 /nfs/dbraw/zinc/16/71/33/582167133.db2.gz QSVUFFJUFNJKEI-VIFPVBQESA-N 1 2 271.317 -1.124 20 0 CAADLO COCCCNC(=O)C[N@@H+](C)[C@H]1CCC(=O)NC1=O ZINC000799110091 582167134 /nfs/dbraw/zinc/16/71/34/582167134.db2.gz QSVUFFJUFNJKEI-VIFPVBQESA-N 1 2 271.317 -1.124 20 0 CAADLO CNC(=O)N1CC[NH+]([C@H]2CCC(=O)NC2=O)CC1 ZINC000799140741 582167150 /nfs/dbraw/zinc/16/71/50/582167150.db2.gz IZLSUTDQDJJFFA-QMMMGPOBSA-N 1 2 254.290 -1.251 20 0 CAADLO CNS(=O)(=O)[C@H]1CCC[N@@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC000799138889 582167170 /nfs/dbraw/zinc/16/71/70/582167170.db2.gz QGSIBDXWFVXURR-DTWKUNHWSA-N 1 2 289.357 -1.195 20 0 CAADLO CNS(=O)(=O)[C@H]1CCC[N@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC000799138889 582167172 /nfs/dbraw/zinc/16/71/72/582167172.db2.gz QGSIBDXWFVXURR-DTWKUNHWSA-N 1 2 289.357 -1.195 20 0 CAADLO O=C1OC[C@H]2C[N@@H+]([C@H]3CCC(=O)NC3=O)CCN12 ZINC000799126542 582167247 /nfs/dbraw/zinc/16/72/47/582167247.db2.gz GARPWGNNCYZDPV-SFYZADRCSA-N 1 2 253.258 -1.072 20 0 CAADLO O=C1OC[C@H]2C[N@H+]([C@H]3CCC(=O)NC3=O)CCN12 ZINC000799126542 582167248 /nfs/dbraw/zinc/16/72/48/582167248.db2.gz GARPWGNNCYZDPV-SFYZADRCSA-N 1 2 253.258 -1.072 20 0 CAADLO Cn1nnc(CN2CC[NH+](CC[S@@](C)=O)CC2)n1 ZINC000799309319 582167261 /nfs/dbraw/zinc/16/72/61/582167261.db2.gz OCCSTMFSZRHSIL-GOSISDBHSA-N 1 2 272.378 -1.294 20 0 CAADLO CC(C)(C(=O)NC[C@@H]1CC(C(N)=O)=NO1)[NH+]1CCOCC1 ZINC000801218224 582167929 /nfs/dbraw/zinc/16/79/29/582167929.db2.gz SPHQJFKJHPYGBB-VIFPVBQESA-N 1 2 298.343 -1.156 20 0 CAADLO CC(C)(C(=O)NC[C@H]1CC(C(N)=O)=NO1)[NH+]1CCOCC1 ZINC000801218220 582167965 /nfs/dbraw/zinc/16/79/65/582167965.db2.gz SPHQJFKJHPYGBB-SECBINFHSA-N 1 2 298.343 -1.156 20 0 CAADLO CCC[N@H+](CCS(N)(=O)=O)[C@@H]1CC(=O)N(C)C1=O ZINC000801586056 582167986 /nfs/dbraw/zinc/16/79/86/582167986.db2.gz ZDBWIFQQDDQEHE-MRVPVSSYSA-N 1 2 277.346 -1.256 20 0 CAADLO CCC[N@@H+](CCS(N)(=O)=O)[C@@H]1CC(=O)N(C)C1=O ZINC000801586056 582167988 /nfs/dbraw/zinc/16/79/88/582167988.db2.gz ZDBWIFQQDDQEHE-MRVPVSSYSA-N 1 2 277.346 -1.256 20 0 CAADLO CC(C)(C(=O)NCCNC(N)=O)[NH+]1CCOCC1 ZINC000801157290 582168017 /nfs/dbraw/zinc/16/80/17/582168017.db2.gz BYBJMRWBDIZBMX-UHFFFAOYSA-N 1 2 258.322 -1.118 20 0 CAADLO NC(=O)Cn1cc(C(=O)O[C@H]2CC[N@H+](CCF)C2)nn1 ZINC000802234211 582168233 /nfs/dbraw/zinc/16/82/33/582168233.db2.gz NPRSPQLQDBFQQA-QMMMGPOBSA-N 1 2 285.279 -1.036 20 0 CAADLO NC(=O)Cn1cc(C(=O)O[C@H]2CC[N@@H+](CCF)C2)nn1 ZINC000802234211 582168234 /nfs/dbraw/zinc/16/82/34/582168234.db2.gz NPRSPQLQDBFQQA-QMMMGPOBSA-N 1 2 285.279 -1.036 20 0 CAADLO CNC(=O)[C@H](O)CNc1[nH+]cnc(-n2cccn2)c1N ZINC000808047179 582169704 /nfs/dbraw/zinc/16/97/04/582169704.db2.gz HTWSXZSRGJTUHR-SSDOTTSWSA-N 1 2 277.288 -1.237 20 0 CAADLO CNC(=O)[C@H](O)CNc1cc(N2CCOCC2)nc[nH+]1 ZINC000808048544 582169745 /nfs/dbraw/zinc/16/97/45/582169745.db2.gz XIMXMOQBXYJFAG-SECBINFHSA-N 1 2 281.316 -1.168 20 0 CAADLO CNC(=O)[C@H](O)CNc1cc(N2CCOCC2)[nH+]cn1 ZINC000808048544 582169746 /nfs/dbraw/zinc/16/97/46/582169746.db2.gz XIMXMOQBXYJFAG-SECBINFHSA-N 1 2 281.316 -1.168 20 0 CAADLO C[C@@]1(C(N)=O)CC[N@H+](Cn2nnn(C3CC3)c2=O)C1 ZINC000808183681 582169906 /nfs/dbraw/zinc/16/99/06/582169906.db2.gz LEWCKJMVILUTGB-LLVKDONJSA-N 1 2 266.305 -1.071 20 0 CAADLO C[C@@]1(C(N)=O)CC[N@@H+](Cn2nnn(C3CC3)c2=O)C1 ZINC000808183681 582169907 /nfs/dbraw/zinc/16/99/07/582169907.db2.gz LEWCKJMVILUTGB-LLVKDONJSA-N 1 2 266.305 -1.071 20 0 CAADLO CCS(=O)(=O)CC(=O)N[C@H](CO)C[NH+]1CCCC1 ZINC000808220031 582170139 /nfs/dbraw/zinc/17/01/39/582170139.db2.gz WBTYZKISABBVMI-JTQLQIEISA-N 1 2 278.374 -1.006 20 0 CAADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)Nc1cnnn1C ZINC000809908862 582171409 /nfs/dbraw/zinc/17/14/09/582171409.db2.gz HEZXILWHUPMHQZ-SNVBAGLBSA-N 1 2 298.347 -1.028 20 0 CAADLO CC[NH+]1CCN(C(=O)C(=O)Nc2cnnn2C)CC1 ZINC000810349382 582171629 /nfs/dbraw/zinc/17/16/29/582171629.db2.gz CJMGIQMFZYZSLU-UHFFFAOYSA-N 1 2 266.305 -1.082 20 0 CAADLO COC(=O)CNC(=O)CC[NH2+][C@@]1(C)CCOC1=O ZINC000810096263 582171649 /nfs/dbraw/zinc/17/16/49/582171649.db2.gz JDIMDSRMIYDSFC-NSHDSACASA-N 1 2 258.274 -1.039 20 0 CAADLO Cn1nnnc1C[NH2+]C1(CO)COC(C)(C)OC1 ZINC000812838900 582172156 /nfs/dbraw/zinc/17/21/56/582172156.db2.gz ZULZTMDSGTXAAK-UHFFFAOYSA-N 1 2 257.294 -1.186 20 0 CAADLO Cn1cc(NC(=O)N2CC[NH+](CCO)CC2)nn1 ZINC000813011368 582172250 /nfs/dbraw/zinc/17/22/50/582172250.db2.gz UHGUQNKXYFURMR-UHFFFAOYSA-N 1 2 254.294 -1.043 20 0 CAADLO C[N@@H+]1C[C@@H]2CCN(S(=O)(=O)CCS(C)(=O)=O)[C@@H]2C1 ZINC000813739845 582172500 /nfs/dbraw/zinc/17/25/00/582172500.db2.gz UQORFXIDMZUVON-VHSXEESVSA-N 1 2 296.414 -1.003 20 0 CAADLO C[N@H+]1C[C@@H]2CCN(S(=O)(=O)CCS(C)(=O)=O)[C@@H]2C1 ZINC000813739845 582172501 /nfs/dbraw/zinc/17/25/01/582172501.db2.gz UQORFXIDMZUVON-VHSXEESVSA-N 1 2 296.414 -1.003 20 0 CAADLO CC(C)NS(=O)(=O)NCC[NH2+]Cc1cnn(C)n1 ZINC000815137898 582173170 /nfs/dbraw/zinc/17/31/70/582173170.db2.gz RRZIUASHGMSTPL-UHFFFAOYSA-N 1 2 276.366 -1.263 20 0 CAADLO CNC(=O)[C@H](O)CNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000816329425 582173927 /nfs/dbraw/zinc/17/39/27/582173927.db2.gz NLLIOSZJHWLWOH-NWDGAFQWSA-N 1 2 299.371 -1.147 20 0 CAADLO CNC(=O)[C@H](O)CNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000816329425 582173928 /nfs/dbraw/zinc/17/39/28/582173928.db2.gz NLLIOSZJHWLWOH-NWDGAFQWSA-N 1 2 299.371 -1.147 20 0 CAADLO CNC(=O)[C@@H](O)CNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000816329426 582173959 /nfs/dbraw/zinc/17/39/59/582173959.db2.gz NLLIOSZJHWLWOH-RYUDHWBXSA-N 1 2 299.371 -1.147 20 0 CAADLO CNC(=O)[C@@H](O)CNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000816329426 582173960 /nfs/dbraw/zinc/17/39/60/582173960.db2.gz NLLIOSZJHWLWOH-RYUDHWBXSA-N 1 2 299.371 -1.147 20 0 CAADLO COC(=O)NCC(=O)NC[C@H]1CN2CC[N@@H+]1CCC2 ZINC000816531290 582174113 /nfs/dbraw/zinc/17/41/13/582174113.db2.gz MNMHVRAMUUPBBF-JTQLQIEISA-N 1 2 270.333 -1.152 20 0 CAADLO COC(=O)NCC(=O)NC[C@H]1CN2CC[N@H+]1CCC2 ZINC000816531290 582174114 /nfs/dbraw/zinc/17/41/14/582174114.db2.gz MNMHVRAMUUPBBF-JTQLQIEISA-N 1 2 270.333 -1.152 20 0 CAADLO O=C(CCCn1cncn1)N[C@H](CO)C[NH+]1CCOCC1 ZINC000816506495 582174140 /nfs/dbraw/zinc/17/41/40/582174140.db2.gz FEAXVPKHGYUZQU-LBPRGKRZSA-N 1 2 297.359 -1.132 20 0 CAADLO CN1C[C@@H](C(=O)N2CC[NH+](CCO)CC2)CCC1=O ZINC000818703713 582176494 /nfs/dbraw/zinc/17/64/94/582176494.db2.gz SWDFABXMQDDUNI-NSHDSACASA-N 1 2 269.345 -1.009 20 0 CAADLO CS(=O)(=O)CC(=O)N[C@@H](CO)C[NH+]1CCCC1 ZINC000819837583 582178220 /nfs/dbraw/zinc/17/82/20/582178220.db2.gz OGQMCMKGSZNLAN-SECBINFHSA-N 1 2 264.347 -1.396 20 0 CAADLO COCCS(=O)(=O)CC(=O)N[C@@H](CO)C[NH+](C)C ZINC000819824370 582178239 /nfs/dbraw/zinc/17/82/39/582178239.db2.gz KCSQXQPFZMGLQA-SECBINFHSA-N 1 2 282.362 -1.914 20 0 CAADLO Cn1ncc(CCC(=O)N[C@@H](CO)C[NH+]2CCOCC2)n1 ZINC000820015653 582178607 /nfs/dbraw/zinc/17/86/07/582178607.db2.gz LUXUMUOHDMUSOV-GFCCVEGCSA-N 1 2 297.359 -1.443 20 0 CAADLO O=C(N[C@H](CO)C[NH+]1CCOCC1)[C@@H](O)c1cccnc1 ZINC000820011753 582178611 /nfs/dbraw/zinc/17/86/11/582178611.db2.gz WMMUYUKYFNOBCV-STQMWFEESA-N 1 2 295.339 -1.076 20 0 CAADLO O=C(CNCC(F)(F)F)N[C@H](CO)C[NH+]1CCOCC1 ZINC000820010337 582178681 /nfs/dbraw/zinc/17/86/81/582178681.db2.gz IHQYVQWBJLQNHH-VIFPVBQESA-N 1 2 299.293 -1.052 20 0 CAADLO O=C(CNCC(F)(F)F)N[C@@H](CO)C[NH+]1CCOCC1 ZINC000820010336 582178688 /nfs/dbraw/zinc/17/86/88/582178688.db2.gz IHQYVQWBJLQNHH-SECBINFHSA-N 1 2 299.293 -1.052 20 0 CAADLO O=C(N[C@@H](CO)C[NH+]1CCOCC1)[C@@H](O)c1cccnc1 ZINC000820011750 582178707 /nfs/dbraw/zinc/17/87/07/582178707.db2.gz WMMUYUKYFNOBCV-OLZOCXBDSA-N 1 2 295.339 -1.076 20 0 CAADLO CC(C)(C(N)=O)[NH+]1CCN(C(=O)CN2CCOC2=O)CC1 ZINC000820408841 582179727 /nfs/dbraw/zinc/17/97/27/582179727.db2.gz FUQRLSMQPRYVSE-UHFFFAOYSA-N 1 2 298.343 -1.153 20 0 CAADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)[C@]1(C)CCC(=O)N1 ZINC000820681104 582180692 /nfs/dbraw/zinc/18/06/92/582180692.db2.gz KGYXIIBIUURRII-RISCZKNCSA-N 1 2 299.371 -1.193 20 0 CAADLO CN(C)S(=O)(=O)CCS(=O)(=O)N1CC[NH+](C)CC1 ZINC000820734470 582180703 /nfs/dbraw/zinc/18/07/03/582180703.db2.gz GOEWVHBXEYKGIM-UHFFFAOYSA-N 1 2 299.418 -1.545 20 0 CAADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@]1(C)CCC(=O)N1 ZINC000820681103 582180707 /nfs/dbraw/zinc/18/07/07/582180707.db2.gz KGYXIIBIUURRII-FZMZJTMJSA-N 1 2 299.371 -1.193 20 0 CAADLO O=CN1CCC[C@@H]1C(=O)N1CC[NH+](CCO)CC1 ZINC000821361013 582182139 /nfs/dbraw/zinc/18/21/39/582182139.db2.gz ZABWYIDSCGQOES-LLVKDONJSA-N 1 2 255.318 -1.256 20 0 CAADLO COC(=O)C[C@H]1C(=O)NCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC000821474967 582182354 /nfs/dbraw/zinc/18/23/54/582182354.db2.gz BKYCUDKGGPQLAP-QMMMGPOBSA-N 1 2 280.284 -1.158 20 0 CAADLO O=C(CN1CCOC1=O)NC[C@H]1CN2CC[N@@H+]1CCC2 ZINC000822724620 582184663 /nfs/dbraw/zinc/18/46/63/582184663.db2.gz QWLNGSDRUFPYPR-NSHDSACASA-N 1 2 282.344 -1.055 20 0 CAADLO O=C(CN1CCOC1=O)NC[C@H]1CN2CC[N@H+]1CCC2 ZINC000822724620 582184665 /nfs/dbraw/zinc/18/46/65/582184665.db2.gz QWLNGSDRUFPYPR-NSHDSACASA-N 1 2 282.344 -1.055 20 0 CAADLO CN(CC(=O)N1CC[NH+](C)CC1)C(=O)CCc1cn[nH]n1 ZINC000825292289 582188377 /nfs/dbraw/zinc/18/83/77/582188377.db2.gz GMNZEOCOBCLIEJ-UHFFFAOYSA-N 1 2 294.359 -1.030 20 0 CAADLO CN(CC(=O)N1CC[NH+](C)CC1)C(=O)CCc1c[nH]nn1 ZINC000825292289 582188379 /nfs/dbraw/zinc/18/83/79/582188379.db2.gz GMNZEOCOBCLIEJ-UHFFFAOYSA-N 1 2 294.359 -1.030 20 0 CAADLO CN(CC(=O)N1CC[NH+](C)CC1)C(=O)CCc1cnn[nH]1 ZINC000825292289 582188380 /nfs/dbraw/zinc/18/83/80/582188380.db2.gz GMNZEOCOBCLIEJ-UHFFFAOYSA-N 1 2 294.359 -1.030 20 0 CAADLO NC(=O)C[N@@H+]1CCCN(C(=O)[C@@H](O)C2CC2)CC1 ZINC000826074722 582189874 /nfs/dbraw/zinc/18/98/74/582189874.db2.gz HXIQZKCAOIVZMV-NSHDSACASA-N 1 2 255.318 -1.223 20 0 CAADLO NC(=O)C[N@H+]1CCCN(C(=O)[C@@H](O)C2CC2)CC1 ZINC000826074722 582189876 /nfs/dbraw/zinc/18/98/76/582189876.db2.gz HXIQZKCAOIVZMV-NSHDSACASA-N 1 2 255.318 -1.223 20 0 CAADLO O=C(Cn1cc[nH+]c1)NC[C@]12COCCN1C(=O)COC2 ZINC000826125504 582189938 /nfs/dbraw/zinc/18/99/38/582189938.db2.gz LWKCWNDENKGTGU-CYBMUJFWSA-N 1 2 294.311 -1.373 20 0 CAADLO NC(=O)[C@H]1C[N@H+](Cc2ccnc(-c3nn[nH]n3)c2)CCO1 ZINC000826390426 582190671 /nfs/dbraw/zinc/19/06/71/582190671.db2.gz ZIPAINUDIFVXLU-SNVBAGLBSA-N 1 2 289.299 -1.052 20 0 CAADLO NC(=O)[C@H]1C[N@@H+](Cc2ccnc(-c3nn[nH]n3)c2)CCO1 ZINC000826390426 582190672 /nfs/dbraw/zinc/19/06/72/582190672.db2.gz ZIPAINUDIFVXLU-SNVBAGLBSA-N 1 2 289.299 -1.052 20 0 CAADLO O=C(c1c[nH]c(-c2nn[nH]n2)c1)N1CC[NH+](CCO)CC1 ZINC000826470003 582190813 /nfs/dbraw/zinc/19/08/13/582190813.db2.gz YOTLCAPSEUDLOH-UHFFFAOYSA-N 1 2 291.315 -1.055 20 0 CAADLO OCC[NH+]1CCN(c2ccc(-c3nn[nH]n3)nn2)CC1 ZINC000826509651 582191154 /nfs/dbraw/zinc/19/11/54/582191154.db2.gz CFNGEOSMQALWEM-UHFFFAOYSA-N 1 2 276.304 -1.229 20 0 CAADLO CN1C(=O)CC[C@@H]1C(=O)N1CC[N@H+](C)C[C@@H]1CO ZINC000826707764 582191559 /nfs/dbraw/zinc/19/15/59/582191559.db2.gz MUWNXUZQERGDBE-NXEZZACHSA-N 1 2 255.318 -1.258 20 0 CAADLO CN1C(=O)CC[C@@H]1C(=O)N1CC[N@@H+](C)C[C@@H]1CO ZINC000826707764 582191560 /nfs/dbraw/zinc/19/15/60/582191560.db2.gz MUWNXUZQERGDBE-NXEZZACHSA-N 1 2 255.318 -1.258 20 0 CAADLO CC(=O)N1CCO[C@@H](C(=O)N2CC[N@@H+](C)C[C@@H]2CO)C1 ZINC000826706626 582191562 /nfs/dbraw/zinc/19/15/62/582191562.db2.gz BRVLJOOZCKEXOI-VXGBXAGGSA-N 1 2 285.344 -1.631 20 0 CAADLO CC(=O)N1CCO[C@@H](C(=O)N2CC[N@H+](C)C[C@@H]2CO)C1 ZINC000826706626 582191563 /nfs/dbraw/zinc/19/15/63/582191563.db2.gz BRVLJOOZCKEXOI-VXGBXAGGSA-N 1 2 285.344 -1.631 20 0 CAADLO CC(=O)N1CCO[C@H](C(=O)N2CC[N@@H+](C)C[C@H]2CO)C1 ZINC000826706625 582191567 /nfs/dbraw/zinc/19/15/67/582191567.db2.gz BRVLJOOZCKEXOI-RYUDHWBXSA-N 1 2 285.344 -1.631 20 0 CAADLO CC(=O)N1CCO[C@H](C(=O)N2CC[N@H+](C)C[C@H]2CO)C1 ZINC000826706625 582191568 /nfs/dbraw/zinc/19/15/68/582191568.db2.gz BRVLJOOZCKEXOI-RYUDHWBXSA-N 1 2 285.344 -1.631 20 0 CAADLO C[N@@H+]1CCN(C(=O)[C@@H]2CSCC(=O)N2)[C@@H](CO)C1 ZINC000826706618 582191610 /nfs/dbraw/zinc/19/16/10/582191610.db2.gz BNXLQOKGIQGJPY-BDAKNGLRSA-N 1 2 273.358 -1.647 20 0 CAADLO C[N@H+]1CCN(C(=O)[C@@H]2CSCC(=O)N2)[C@@H](CO)C1 ZINC000826706618 582191611 /nfs/dbraw/zinc/19/16/11/582191611.db2.gz BNXLQOKGIQGJPY-BDAKNGLRSA-N 1 2 273.358 -1.647 20 0 CAADLO C[N@@H+]1CCN(C(=O)[C@@H]2CSCC(=O)N2)[C@H](CO)C1 ZINC000826706619 582191617 /nfs/dbraw/zinc/19/16/17/582191617.db2.gz BNXLQOKGIQGJPY-IUCAKERBSA-N 1 2 273.358 -1.647 20 0 CAADLO C[N@H+]1CCN(C(=O)[C@@H]2CSCC(=O)N2)[C@H](CO)C1 ZINC000826706619 582191618 /nfs/dbraw/zinc/19/16/18/582191618.db2.gz BNXLQOKGIQGJPY-IUCAKERBSA-N 1 2 273.358 -1.647 20 0 CAADLO CN1C(=O)CC[C@@H]1C(=O)N1CC[N@H+](C)C[C@H]1CO ZINC000826707766 582191623 /nfs/dbraw/zinc/19/16/23/582191623.db2.gz MUWNXUZQERGDBE-VHSXEESVSA-N 1 2 255.318 -1.258 20 0 CAADLO CN1C(=O)CC[C@@H]1C(=O)N1CC[N@@H+](C)C[C@H]1CO ZINC000826707766 582191624 /nfs/dbraw/zinc/19/16/24/582191624.db2.gz MUWNXUZQERGDBE-VHSXEESVSA-N 1 2 255.318 -1.258 20 0 CAADLO COC(=O)N(C)CC[N@H+](C)Cc1cn(CC(N)=O)nn1 ZINC000827347663 582192230 /nfs/dbraw/zinc/19/22/30/582192230.db2.gz SFWBKXJVGUYUKL-UHFFFAOYSA-N 1 2 284.320 -1.107 20 0 CAADLO COC(=O)N(C)CC[N@@H+](C)Cc1cn(CC(N)=O)nn1 ZINC000827347663 582192231 /nfs/dbraw/zinc/19/22/31/582192231.db2.gz SFWBKXJVGUYUKL-UHFFFAOYSA-N 1 2 284.320 -1.107 20 0 CAADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CSCC(=O)N1 ZINC000827429405 582192386 /nfs/dbraw/zinc/19/23/86/582192386.db2.gz YJBGHPFOLGQRKQ-IUCAKERBSA-N 1 2 273.358 -1.335 20 0 CAADLO C[N@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CSCC(=O)N1 ZINC000827429405 582192387 /nfs/dbraw/zinc/19/23/87/582192387.db2.gz YJBGHPFOLGQRKQ-IUCAKERBSA-N 1 2 273.358 -1.335 20 0 CAADLO CC(=O)N1CCO[C@@H](C(=O)NC[C@H]2COCC[N@H+]2C)C1 ZINC000827422528 582192432 /nfs/dbraw/zinc/19/24/32/582192432.db2.gz DWTHMDCVSUZHFI-NWDGAFQWSA-N 1 2 285.344 -1.320 20 0 CAADLO CC(=O)N1CCO[C@@H](C(=O)NC[C@H]2COCC[N@@H+]2C)C1 ZINC000827422528 582192434 /nfs/dbraw/zinc/19/24/34/582192434.db2.gz DWTHMDCVSUZHFI-NWDGAFQWSA-N 1 2 285.344 -1.320 20 0 CAADLO CN1C(=O)CC[C@@H]1C(=O)N1CC[N@H+](C)[C@@H](CO)C1 ZINC000827983978 582193963 /nfs/dbraw/zinc/19/39/63/582193963.db2.gz ZFHJOACEVUCBER-NXEZZACHSA-N 1 2 255.318 -1.258 20 0 CAADLO CN1C(=O)CC[C@@H]1C(=O)N1CC[N@@H+](C)[C@@H](CO)C1 ZINC000827983978 582193964 /nfs/dbraw/zinc/19/39/64/582193964.db2.gz ZFHJOACEVUCBER-NXEZZACHSA-N 1 2 255.318 -1.258 20 0 CAADLO C[S@@](=O)CC[NH+]1CCN(C(=O)[C@H]2CC(=O)N2)CC1 ZINC000828530270 582195333 /nfs/dbraw/zinc/19/53/33/582195333.db2.gz ICMSRBGSQHYTTN-DYBLOJMWSA-N 1 2 273.358 -1.602 20 0 CAADLO CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC000829450970 582196856 /nfs/dbraw/zinc/19/68/56/582196856.db2.gz YVVJJICCZBEIIL-IUCAKERBSA-N 1 2 289.357 -1.890 20 0 CAADLO CC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC000829450970 582196857 /nfs/dbraw/zinc/19/68/57/582196857.db2.gz YVVJJICCZBEIIL-IUCAKERBSA-N 1 2 289.357 -1.890 20 0 CAADLO C[N@@H+]1CCn2nc(NC(=O)Cn3cnnn3)cc2C1 ZINC000829466578 582196866 /nfs/dbraw/zinc/19/68/66/582196866.db2.gz BBLWUVLJUHZTJS-UHFFFAOYSA-N 1 2 262.277 -1.046 20 0 CAADLO C[N@H+]1CCn2nc(NC(=O)Cn3cnnn3)cc2C1 ZINC000829466578 582196867 /nfs/dbraw/zinc/19/68/67/582196867.db2.gz BBLWUVLJUHZTJS-UHFFFAOYSA-N 1 2 262.277 -1.046 20 0 CAADLO CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC000829450969 582196876 /nfs/dbraw/zinc/19/68/76/582196876.db2.gz YVVJJICCZBEIIL-BDAKNGLRSA-N 1 2 289.357 -1.890 20 0 CAADLO CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC000829450969 582196877 /nfs/dbraw/zinc/19/68/77/582196877.db2.gz YVVJJICCZBEIIL-BDAKNGLRSA-N 1 2 289.357 -1.890 20 0 CAADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)[C@@H]1CCCN1C=O ZINC000829806704 582197325 /nfs/dbraw/zinc/19/73/25/582197325.db2.gz RXQFAVQRECWGJY-OLZOCXBDSA-N 1 2 299.371 -1.241 20 0 CAADLO COC(=O)C1(O)CN(C(=O)[C@@H](c2c[nH+]cn2C)N(C)C)C1 ZINC000829968686 582197808 /nfs/dbraw/zinc/19/78/08/582197808.db2.gz BDTGXXHSURQPMC-SNVBAGLBSA-N 1 2 296.327 -1.231 20 0 CAADLO COC(=O)C1(O)CN(C(=O)/C=C\C[NH+]2CCOCC2)C1 ZINC000829968879 582197830 /nfs/dbraw/zinc/19/78/30/582197830.db2.gz DKXQIWAYCCATRQ-IHWYPQMZSA-N 1 2 284.312 -1.379 20 0 CAADLO COC(=O)C1(O)CN(C(=O)Cc2c[nH+]cn2C)C1 ZINC000829964865 582197869 /nfs/dbraw/zinc/19/78/69/582197869.db2.gz OYZNKIHDOFDSSN-UHFFFAOYSA-N 1 2 253.258 -1.291 20 0 CAADLO COC(=O)C1(O)CN(C(=O)[C@H](c2c[nH+]cn2C)N(C)C)C1 ZINC000829968683 582197913 /nfs/dbraw/zinc/19/79/13/582197913.db2.gz BDTGXXHSURQPMC-JTQLQIEISA-N 1 2 296.327 -1.231 20 0 CAADLO COC1(C(=O)NC[C@@H]2CC[N@@H+]2C)CS(=O)(=O)C1 ZINC000830135265 582198358 /nfs/dbraw/zinc/19/83/58/582198358.db2.gz MCBFRJWGSMFASH-QMMMGPOBSA-N 1 2 262.331 -1.380 20 0 CAADLO COC1(C(=O)NC[C@@H]2CC[N@H+]2C)CS(=O)(=O)C1 ZINC000830135265 582198360 /nfs/dbraw/zinc/19/83/60/582198360.db2.gz MCBFRJWGSMFASH-QMMMGPOBSA-N 1 2 262.331 -1.380 20 0 CAADLO COC1(C(=O)NC[C@H]2CC[N@@H+]2C)CS(=O)(=O)C1 ZINC000830135264 582198386 /nfs/dbraw/zinc/19/83/86/582198386.db2.gz MCBFRJWGSMFASH-MRVPVSSYSA-N 1 2 262.331 -1.380 20 0 CAADLO COC1(C(=O)NC[C@H]2CC[N@H+]2C)CS(=O)(=O)C1 ZINC000830135264 582198387 /nfs/dbraw/zinc/19/83/87/582198387.db2.gz MCBFRJWGSMFASH-MRVPVSSYSA-N 1 2 262.331 -1.380 20 0 CAADLO Cn1cc(C(=O)N(CCO)CC[NH+]2CCOCC2)[nH]c1=O ZINC000830637822 582199188 /nfs/dbraw/zinc/19/91/88/582199188.db2.gz VTPHVTYNCASTSK-UHFFFAOYSA-N 1 2 298.343 -1.108 20 0 CAADLO O=C(C[C@@H]1CCC(=O)N1)N(CCO)CC[NH+]1CCOCC1 ZINC000830637531 582199194 /nfs/dbraw/zinc/19/91/94/582199194.db2.gz RKBBSKOKLQFEEI-LBPRGKRZSA-N 1 2 299.371 -1.192 20 0 CAADLO COC(=O)[C@@H]1C[C@H](O)C[N@H+](CCS(C)(=O)=O)C1 ZINC000830892187 582199459 /nfs/dbraw/zinc/19/94/59/582199459.db2.gz PLEVVZRAVPMPDE-BDAKNGLRSA-N 1 2 265.331 -1.113 20 0 CAADLO COC(=O)[C@@H]1C[C@H](O)C[N@@H+](CCS(C)(=O)=O)C1 ZINC000830892187 582199460 /nfs/dbraw/zinc/19/94/60/582199460.db2.gz PLEVVZRAVPMPDE-BDAKNGLRSA-N 1 2 265.331 -1.113 20 0 CAADLO COC(=O)[C@@H](O)CNC(=O)/C=C\C[NH+]1CCOCC1 ZINC000867070781 582201385 /nfs/dbraw/zinc/20/13/85/582201385.db2.gz TVQYHPZAFWIRQC-ZMWSMAPVSA-N 1 2 272.301 -1.475 20 0 CAADLO CCn1nc(C)c(CNC(=O)CN2CC[NH2+]CC2=O)n1 ZINC000831754026 582203535 /nfs/dbraw/zinc/20/35/35/582203535.db2.gz SEAMRWBWAAUFSY-UHFFFAOYSA-N 1 2 280.332 -1.346 20 0 CAADLO CN1C(=O)CN(NC(=O)C=CC[NH+]2CCOCC2)C1=O ZINC000867140388 582211621 /nfs/dbraw/zinc/21/16/21/582211621.db2.gz YDFWXAZURIBTJZ-IHWYPQMZSA-N 1 2 282.300 -1.200 20 0 CAADLO C[N@@H+]1CCO[C@@H](CS(=O)(=O)NCC2OCCCO2)C1 ZINC000867161882 582211881 /nfs/dbraw/zinc/21/18/81/582211881.db2.gz ULCNJQMEGVFYAM-SNVBAGLBSA-N 1 2 294.373 -1.001 20 0 CAADLO C[N@H+]1CCO[C@@H](CS(=O)(=O)NCC2OCCCO2)C1 ZINC000867161882 582211883 /nfs/dbraw/zinc/21/18/83/582211883.db2.gz ULCNJQMEGVFYAM-SNVBAGLBSA-N 1 2 294.373 -1.001 20 0 CAADLO O=C(/C=C/C[NH+]1CCOCC1)N[C@H]1CNC(=O)C1 ZINC000867251029 582212163 /nfs/dbraw/zinc/21/21/63/582212163.db2.gz PTHQAHJKIHHBJH-TXXBHVLJSA-N 1 2 253.302 -1.121 20 0 CAADLO COC[C@@H](O)CNS(=O)(=O)C[C@H]1C[N@H+](C)CCO1 ZINC000867240104 582212174 /nfs/dbraw/zinc/21/21/74/582212174.db2.gz RYRAVWPDBNSHMH-VHSXEESVSA-N 1 2 282.362 -1.756 20 0 CAADLO COC[C@@H](O)CNS(=O)(=O)C[C@H]1C[N@@H+](C)CCO1 ZINC000867240104 582212176 /nfs/dbraw/zinc/21/21/76/582212176.db2.gz RYRAVWPDBNSHMH-VHSXEESVSA-N 1 2 282.362 -1.756 20 0 CAADLO Cn1ncc(CNS(=O)(=O)C[C@@H]2C[N@H+](C)CCO2)n1 ZINC000867267495 582212339 /nfs/dbraw/zinc/21/23/39/582212339.db2.gz RDOJJXGKJKTGPL-JTQLQIEISA-N 1 2 289.361 -1.435 20 0 CAADLO Cn1ncc(CNS(=O)(=O)C[C@@H]2C[N@@H+](C)CCO2)n1 ZINC000867267495 582212340 /nfs/dbraw/zinc/21/23/40/582212340.db2.gz RDOJJXGKJKTGPL-JTQLQIEISA-N 1 2 289.361 -1.435 20 0 CAADLO C[N@@H+]1CCO[C@@H](CS(=O)(=O)N[C@]2(C)CCOC2=O)C1 ZINC000867283536 582212580 /nfs/dbraw/zinc/21/25/80/582212580.db2.gz JOIKSNQJGHYMJQ-MWLCHTKSSA-N 1 2 292.357 -1.058 20 0 CAADLO C[N@H+]1CCO[C@@H](CS(=O)(=O)N[C@]2(C)CCOC2=O)C1 ZINC000867283536 582212582 /nfs/dbraw/zinc/21/25/82/582212582.db2.gz JOIKSNQJGHYMJQ-MWLCHTKSSA-N 1 2 292.357 -1.058 20 0 CAADLO O=C(/C=C\C[NH+]1CCOCC1)NCCN1CCNC(=O)C1 ZINC000867307237 582213298 /nfs/dbraw/zinc/21/32/98/582213298.db2.gz MKEJECWAUNGYQT-UPHRSURJSA-N 1 2 296.371 -1.577 20 0 CAADLO CC(CO)(CO)NC(=O)/C=C\C[NH+]1CCOCC1 ZINC000867311275 582213420 /nfs/dbraw/zinc/21/34/20/582213420.db2.gz NDXYACSRIGCWII-IHWYPQMZSA-N 1 2 258.318 -1.266 20 0 CAADLO CNC(=O)C1(NC(=O)CN2CC[NH2+]CC2=O)CCCC1 ZINC000843419760 582214255 /nfs/dbraw/zinc/21/42/55/582214255.db2.gz SIDCMPQRKAAIEQ-UHFFFAOYSA-N 1 2 282.344 -1.407 20 0 CAADLO O=C([C@@H](O)c1c[nH+]c[nH]1)N1CCN2CCOC[C@H]2C1 ZINC000867381781 582217741 /nfs/dbraw/zinc/21/77/41/582217741.db2.gz HNQKOQTZFZGSSS-KOLCDFICSA-N 1 2 266.301 -1.014 20 0 CAADLO C[C@@H]1C[N@H+](CCOC(=O)[C@H]2CCS(=O)(=O)N2)CCO1 ZINC000845375409 582217973 /nfs/dbraw/zinc/21/79/73/582217973.db2.gz HXGWGUATDZABDS-NXEZZACHSA-N 1 2 292.357 -1.058 20 0 CAADLO C[C@@H]1C[N@@H+](CCOC(=O)[C@H]2CCS(=O)(=O)N2)CCO1 ZINC000845375409 582217974 /nfs/dbraw/zinc/21/79/74/582217974.db2.gz HXGWGUATDZABDS-NXEZZACHSA-N 1 2 292.357 -1.058 20 0 CAADLO C[C@@H]1C[N@H+](CCOC(=O)[C@@H]2CCS(=O)(=O)N2)CCO1 ZINC000845375415 582218152 /nfs/dbraw/zinc/21/81/52/582218152.db2.gz HXGWGUATDZABDS-ZJUUUORDSA-N 1 2 292.357 -1.058 20 0 CAADLO C[C@@H]1C[N@@H+](CCOC(=O)[C@@H]2CCS(=O)(=O)N2)CCO1 ZINC000845375415 582218154 /nfs/dbraw/zinc/21/81/54/582218154.db2.gz HXGWGUATDZABDS-ZJUUUORDSA-N 1 2 292.357 -1.058 20 0 CAADLO CCOCC[NH+]1CC(OC(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC000845523221 582218604 /nfs/dbraw/zinc/21/86/04/582218604.db2.gz VPEFQBANTYGKGE-SNVBAGLBSA-N 1 2 292.357 -1.058 20 0 CAADLO CCONC(=O)CNC(=O)N1CC[N@H+](CCO)C[C@@H]1C ZINC000845534293 582218720 /nfs/dbraw/zinc/21/87/20/582218720.db2.gz LIZDMXYRGZFFDX-JTQLQIEISA-N 1 2 288.348 -1.238 20 0 CAADLO CCONC(=O)CNC(=O)N1CC[N@@H+](CCO)C[C@@H]1C ZINC000845534293 582218721 /nfs/dbraw/zinc/21/87/21/582218721.db2.gz LIZDMXYRGZFFDX-JTQLQIEISA-N 1 2 288.348 -1.238 20 0 CAADLO CCONC(=O)CNC(=O)NC[C@]1(O)CC[N@H+](C)C1 ZINC000845540751 582219133 /nfs/dbraw/zinc/21/91/33/582219133.db2.gz OYHBLBYJZUBFJN-LLVKDONJSA-N 1 2 274.321 -1.580 20 0 CAADLO CCONC(=O)CNC(=O)NC[C@]1(O)CC[N@@H+](C)C1 ZINC000845540751 582219134 /nfs/dbraw/zinc/21/91/34/582219134.db2.gz OYHBLBYJZUBFJN-LLVKDONJSA-N 1 2 274.321 -1.580 20 0 CAADLO C[C@@H]1CN(C(=O)C2(S(N)(=O)=O)CC2)CC[N@@H+]1C ZINC000845638836 582219540 /nfs/dbraw/zinc/21/95/40/582219540.db2.gz PCWXFFHRMOVIJA-MRVPVSSYSA-N 1 2 261.347 -1.030 20 0 CAADLO C[C@@H]1CN(C(=O)C2(S(N)(=O)=O)CC2)CC[N@H+]1C ZINC000845638836 582219541 /nfs/dbraw/zinc/21/95/41/582219541.db2.gz PCWXFFHRMOVIJA-MRVPVSSYSA-N 1 2 261.347 -1.030 20 0 CAADLO C[N@@H+]1CCO[C@H](CS(=O)(=O)NC[C@H]2COCO2)C1 ZINC000867395577 582219809 /nfs/dbraw/zinc/21/98/09/582219809.db2.gz MTWAMAKUHYZWMG-UWVGGRQHSA-N 1 2 280.346 -1.391 20 0 CAADLO C[N@H+]1CCO[C@H](CS(=O)(=O)NC[C@H]2COCO2)C1 ZINC000867395577 582219810 /nfs/dbraw/zinc/21/98/10/582219810.db2.gz MTWAMAKUHYZWMG-UWVGGRQHSA-N 1 2 280.346 -1.391 20 0 CAADLO CC(C)NC(=O)C[N@H+](C)CC(=O)NCCn1cnnn1 ZINC000845801955 582219873 /nfs/dbraw/zinc/21/98/73/582219873.db2.gz MTHKMMXFKPCRMF-UHFFFAOYSA-N 1 2 283.336 -1.754 20 0 CAADLO CC(C)NC(=O)C[N@@H+](C)CC(=O)NCCn1cnnn1 ZINC000845801955 582219874 /nfs/dbraw/zinc/21/98/74/582219874.db2.gz MTHKMMXFKPCRMF-UHFFFAOYSA-N 1 2 283.336 -1.754 20 0 CAADLO CCONC(=O)CNC(=O)CC[NH+]1CCOCC1 ZINC000846497883 582222001 /nfs/dbraw/zinc/22/20/01/582222001.db2.gz LEYRWVSSSABJFQ-UHFFFAOYSA-N 1 2 259.306 -1.107 20 0 CAADLO CCONC(=O)CNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC000846494540 582222019 /nfs/dbraw/zinc/22/20/19/582222019.db2.gz IANHWEXUIDMZKQ-VIFPVBQESA-N 1 2 259.306 -1.109 20 0 CAADLO CCONC(=O)CNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC000846494540 582222020 /nfs/dbraw/zinc/22/20/20/582222020.db2.gz IANHWEXUIDMZKQ-VIFPVBQESA-N 1 2 259.306 -1.109 20 0 CAADLO CN1CCN(CC(=O)NOC2CC[NH+](C)CC2)CC1=O ZINC000846650018 582222647 /nfs/dbraw/zinc/22/26/47/582222647.db2.gz LGWGDXOQJSHCIY-UHFFFAOYSA-N 1 2 284.360 -1.098 20 0 CAADLO CCN1C[C@H](C[N@@H+]2CCN3C(=O)C(=O)NC[C@@H]3C2)OC1=O ZINC000846816329 582223421 /nfs/dbraw/zinc/22/34/21/582223421.db2.gz FPBRJBMJTYQJPJ-ZJUUUORDSA-N 1 2 296.327 -1.530 20 0 CAADLO CCN1C[C@H](C[N@H+]2CCN3C(=O)C(=O)NC[C@@H]3C2)OC1=O ZINC000846816329 582223422 /nfs/dbraw/zinc/22/34/22/582223422.db2.gz FPBRJBMJTYQJPJ-ZJUUUORDSA-N 1 2 296.327 -1.530 20 0 CAADLO CCN1C[C@@H](C[NH+]2CCN(C(=O)CO)CC2)OC1=O ZINC000846834411 582223524 /nfs/dbraw/zinc/22/35/24/582223524.db2.gz CJKVIOCVILRCGU-SNVBAGLBSA-N 1 2 271.317 -1.036 20 0 CAADLO CON(C)C(=O)C[NH+]1CCN(c2nncn2C)CC1 ZINC000847035539 582223674 /nfs/dbraw/zinc/22/36/74/582223674.db2.gz GUKUVIILKIAHPS-UHFFFAOYSA-N 1 2 268.321 -1.043 20 0 CAADLO O=C(Cc1[nH]cc[nH+]1)N[C@@H](CO)CN1CCOCC1 ZINC000847136964 582223686 /nfs/dbraw/zinc/22/36/86/582223686.db2.gz BBWNEZFYKDCDGT-SNVBAGLBSA-N 1 2 268.317 -1.239 20 0 CAADLO NC(=O)C1(C(=O)N[C@H](CO)C[NH+]2CCOCC2)CCC1 ZINC000847136837 582223716 /nfs/dbraw/zinc/22/37/16/582223716.db2.gz ADQNZHSLSWKAPI-JTQLQIEISA-N 1 2 285.344 -1.549 20 0 CAADLO COC/C=C\C(=O)N[C@H](CO)C[NH+]1CCOCC1 ZINC000847137418 582223718 /nfs/dbraw/zinc/22/37/18/582223718.db2.gz BVSKMZUENURFJL-QUCGXOGASA-N 1 2 258.318 -1.002 20 0 CAADLO COC(=O)CNC(=O)[C@@H](C)[NH+]1CCN(OC)CC1 ZINC000846980867 582223746 /nfs/dbraw/zinc/22/37/46/582223746.db2.gz YXQZLGHXKIWQMY-SECBINFHSA-N 1 2 259.306 -1.157 20 0 CAADLO O=C(CC1OCCO1)N[C@@H](CO)C[NH+]1CCOCC1 ZINC000847138601 582223837 /nfs/dbraw/zinc/22/38/37/582223837.db2.gz HCCPVPQLCKRJMZ-SNVBAGLBSA-N 1 2 274.317 -1.441 20 0 CAADLO O=C(CC1OCCO1)N[C@H](CO)C[NH+]1CCOCC1 ZINC000847138586 582223867 /nfs/dbraw/zinc/22/38/67/582223867.db2.gz HCCPVPQLCKRJMZ-JTQLQIEISA-N 1 2 274.317 -1.441 20 0 CAADLO O=C(N[C@@H](CO)C[NH+]1CCOCC1)[C@@H]1COC(=O)N1 ZINC000847140507 582223884 /nfs/dbraw/zinc/22/38/84/582223884.db2.gz PMWYTASFFBGLGK-BDAKNGLRSA-N 1 2 273.289 -2.096 20 0 CAADLO O=C(N[C@H](CO)C[NH+]1CCOCC1)[C@H](O)c1ccccn1 ZINC000847142213 582223917 /nfs/dbraw/zinc/22/39/17/582223917.db2.gz XOZMRQYXYNZVQW-WCQYABFASA-N 1 2 295.339 -1.076 20 0 CAADLO O=C(N[C@H](CO)C[NH+]1CCOCC1)[C@H]1CSC(=O)N1 ZINC000847138882 582223927 /nfs/dbraw/zinc/22/39/27/582223927.db2.gz IMNITMHETBVNBP-DTWKUNHWSA-N 1 2 289.357 -1.379 20 0 CAADLO CCOC(=O)CC(=O)N[C@H](CO)C[NH+]1CCOCC1 ZINC000847139370 582223950 /nfs/dbraw/zinc/22/39/50/582223950.db2.gz JLLCLOBMXIMWBY-JTQLQIEISA-N 1 2 274.317 -1.251 20 0 CAADLO O=CN1CCC[C@H]1C(=O)N[C@H](CO)C[NH+]1CCOCC1 ZINC000847142162 582223954 /nfs/dbraw/zinc/22/39/54/582223954.db2.gz VYCPRPYOXQLZOQ-RYUDHWBXSA-N 1 2 285.344 -1.584 20 0 CAADLO O=C(C[C@@H]1CCC(=O)N1)N[C@H](CO)C[NH+]1CCOCC1 ZINC000847139819 582223971 /nfs/dbraw/zinc/22/39/71/582223971.db2.gz LSEDBTAQUYRHPC-QWRGUYRKSA-N 1 2 285.344 -1.536 20 0 CAADLO O=C(N[C@@H](CO)C[NH+]1CCOCC1)[C@H]1CC(=O)N1 ZINC000847139750 582223974 /nfs/dbraw/zinc/22/39/74/582223974.db2.gz LHFRODRZZQTXKN-RKDXNWHRSA-N 1 2 257.290 -2.316 20 0 CAADLO O=C(C[C@H]1CCC(=O)N1)N[C@@H](CO)C[NH+]1CCOCC1 ZINC000847139780 582223994 /nfs/dbraw/zinc/22/39/94/582223994.db2.gz LSEDBTAQUYRHPC-GHMZBOCLSA-N 1 2 285.344 -1.536 20 0 CAADLO O=C(N[C@@H](CO)C[NH+]1CCOCC1)[C@H]1CSC(=O)N1 ZINC000847138885 582224002 /nfs/dbraw/zinc/22/40/02/582224002.db2.gz IMNITMHETBVNBP-RKDXNWHRSA-N 1 2 289.357 -1.379 20 0 CAADLO O=CN1CCC[C@@H]1C(=O)N[C@H](CO)C[NH+]1CCOCC1 ZINC000847142161 582224006 /nfs/dbraw/zinc/22/40/06/582224006.db2.gz VYCPRPYOXQLZOQ-NWDGAFQWSA-N 1 2 285.344 -1.584 20 0 CAADLO O=C(N[C@@H](CO)C[NH+]1CCOCC1)[C@H](O)C1CC1 ZINC000847142248 582224110 /nfs/dbraw/zinc/22/41/10/582224110.db2.gz YCBVLASLGHGOFX-GHMZBOCLSA-N 1 2 258.318 -1.433 20 0 CAADLO CC[C@@H](CO)C(=O)N[C@H](CO)C[NH+]1CCOCC1 ZINC000847142243 582224131 /nfs/dbraw/zinc/22/41/31/582224131.db2.gz YAALERMJLYMKTH-QWRGUYRKSA-N 1 2 260.334 -1.186 20 0 CAADLO O=C(CN1CC[NH2+]CC1=O)NC[C@H]1CN(C2CC2)C(=O)O1 ZINC000848442136 582226521 /nfs/dbraw/zinc/22/65/21/582226521.db2.gz GAODLIRZPKCNSS-JTQLQIEISA-N 1 2 296.327 -1.482 20 0 CAADLO NC(=O)CNC(=S)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000849290067 582227578 /nfs/dbraw/zinc/22/75/78/582227578.db2.gz WBEMFMBNFZCYBZ-VIFPVBQESA-N 1 2 272.374 -1.247 20 0 CAADLO NS(=O)(=O)N1CC[NH+](C[C@H]2CCC(=O)O2)CC1 ZINC000851766590 582229719 /nfs/dbraw/zinc/22/97/19/582229719.db2.gz HPQAZNUWXOOOGX-MRVPVSSYSA-N 1 2 263.319 -1.487 20 0 CAADLO CC1(C)OC[C@@H](C[NH+]2CCN(S(N)(=O)=O)CC2)O1 ZINC000851766780 582229743 /nfs/dbraw/zinc/22/97/43/582229743.db2.gz MTKPFRFWRDKSJP-SECBINFHSA-N 1 2 279.362 -1.041 20 0 CAADLO O=C1NC[C@H]2C[N@H+](C[C@@H](O)c3ccccn3)CCN2C1=O ZINC000851812087 582229771 /nfs/dbraw/zinc/22/97/71/582229771.db2.gz FPXHVDVQUFZCLD-CMPLNLGQSA-N 1 2 290.323 -1.242 20 0 CAADLO O=C1NC[C@H]2C[N@@H+](C[C@@H](O)c3ccccn3)CCN2C1=O ZINC000851812087 582229772 /nfs/dbraw/zinc/22/97/72/582229772.db2.gz FPXHVDVQUFZCLD-CMPLNLGQSA-N 1 2 290.323 -1.242 20 0 CAADLO CC1(C)OC[C@@H](C[N@@H+]2CCN3C(=O)C(=O)NC[C@H]3C2)O1 ZINC000851814147 582229985 /nfs/dbraw/zinc/22/99/85/582229985.db2.gz YGBRBAIGAFTONF-VHSXEESVSA-N 1 2 283.328 -1.220 20 0 CAADLO CC1(C)OC[C@@H](C[N@H+]2CCN3C(=O)C(=O)NC[C@H]3C2)O1 ZINC000851814147 582229986 /nfs/dbraw/zinc/22/99/86/582229986.db2.gz YGBRBAIGAFTONF-VHSXEESVSA-N 1 2 283.328 -1.220 20 0 CAADLO CC1(C)OC[C@@H](C[N@@H+]2CCN3C(=O)C(=O)NC[C@@H]3C2)O1 ZINC000851814145 582230028 /nfs/dbraw/zinc/23/00/28/582230028.db2.gz YGBRBAIGAFTONF-NXEZZACHSA-N 1 2 283.328 -1.220 20 0 CAADLO CC1(C)OC[C@@H](C[N@H+]2CCN3C(=O)C(=O)NC[C@@H]3C2)O1 ZINC000851814145 582230029 /nfs/dbraw/zinc/23/00/29/582230029.db2.gz YGBRBAIGAFTONF-NXEZZACHSA-N 1 2 283.328 -1.220 20 0 CAADLO CC(C)(C)OC(=O)NCC[N@@H+](CC(N)=O)C[C@H](O)CO ZINC000852179212 582230184 /nfs/dbraw/zinc/23/01/84/582230184.db2.gz CMTBUWPPXDDRRP-VIFPVBQESA-N 1 2 291.348 -1.348 20 0 CAADLO CC(C)(C)OC(=O)NCC[N@H+](CC(N)=O)C[C@H](O)CO ZINC000852179212 582230186 /nfs/dbraw/zinc/23/01/86/582230186.db2.gz CMTBUWPPXDDRRP-VIFPVBQESA-N 1 2 291.348 -1.348 20 0 CAADLO COC(CC[N@@H+]1CCN(CC(N)=O)C(=O)C1)OC ZINC000852161034 582230229 /nfs/dbraw/zinc/23/02/29/582230229.db2.gz NSWDUUSGRMDYSA-UHFFFAOYSA-N 1 2 259.306 -1.375 20 0 CAADLO COC(CC[N@H+]1CCN(CC(N)=O)C(=O)C1)OC ZINC000852161034 582230231 /nfs/dbraw/zinc/23/02/31/582230231.db2.gz NSWDUUSGRMDYSA-UHFFFAOYSA-N 1 2 259.306 -1.375 20 0 CAADLO O=C(C[N@@H+]1CC[C@H](N2CCOC2=O)C1)N1CCNC(=O)C1 ZINC000852431803 582230290 /nfs/dbraw/zinc/23/02/90/582230290.db2.gz UPBXXJDIPMRQRT-JTQLQIEISA-N 1 2 296.327 -1.529 20 0 CAADLO O=C(C[N@H+]1CC[C@H](N2CCOC2=O)C1)N1CCNC(=O)C1 ZINC000852431803 582230291 /nfs/dbraw/zinc/23/02/91/582230291.db2.gz UPBXXJDIPMRQRT-JTQLQIEISA-N 1 2 296.327 -1.529 20 0 CAADLO NC(=O)NC(=O)C[N@@H+]1CC[C@H](N2CCOC2=O)C1 ZINC000852430072 582230325 /nfs/dbraw/zinc/23/03/25/582230325.db2.gz DVNMEDXIHVTNPM-ZETCQYMHSA-N 1 2 256.262 -1.292 20 0 CAADLO NC(=O)NC(=O)C[N@H+]1CC[C@H](N2CCOC2=O)C1 ZINC000852430072 582230326 /nfs/dbraw/zinc/23/03/26/582230326.db2.gz DVNMEDXIHVTNPM-ZETCQYMHSA-N 1 2 256.262 -1.292 20 0 CAADLO COC(=O)N(C)CC[N@H+](C)CCS(N)(=O)=O ZINC000852571311 582230345 /nfs/dbraw/zinc/23/03/45/582230345.db2.gz NYIFIPGZWNHTLN-UHFFFAOYSA-N 1 2 253.324 -1.095 20 0 CAADLO COC(=O)N(C)CC[N@@H+](C)CCS(N)(=O)=O ZINC000852571311 582230347 /nfs/dbraw/zinc/23/03/47/582230347.db2.gz NYIFIPGZWNHTLN-UHFFFAOYSA-N 1 2 253.324 -1.095 20 0 CAADLO CNC(=O)NC(=O)C[N@@H+]1CC[C@@H](N2CCOC2=O)C1 ZINC000852431081 582230353 /nfs/dbraw/zinc/23/03/53/582230353.db2.gz PIJRWOZSSKFYQM-MRVPVSSYSA-N 1 2 270.289 -1.032 20 0 CAADLO CNC(=O)NC(=O)C[N@H+]1CC[C@@H](N2CCOC2=O)C1 ZINC000852431081 582230355 /nfs/dbraw/zinc/23/03/55/582230355.db2.gz PIJRWOZSSKFYQM-MRVPVSSYSA-N 1 2 270.289 -1.032 20 0 CAADLO [NH3+]C[C@@H]1CC(C(=O)N2CCc3[nH]nnc3C2)=NO1 ZINC000852885043 582231992 /nfs/dbraw/zinc/23/19/92/582231992.db2.gz RTWKIYUJQHCITQ-LURJTMIESA-N 1 2 250.262 -1.207 20 0 CAADLO CN1C(=O)C(=O)N(C[N@@H+]2CC[C@H](N3CCOC3=O)C2)C1=O ZINC000853540113 582233304 /nfs/dbraw/zinc/23/33/04/582233304.db2.gz HCMIAPTVXNDVQH-QMMMGPOBSA-N 1 2 296.283 -1.109 20 0 CAADLO CN1C(=O)C(=O)N(C[N@H+]2CC[C@H](N3CCOC3=O)C2)C1=O ZINC000853540113 582233306 /nfs/dbraw/zinc/23/33/06/582233306.db2.gz HCMIAPTVXNDVQH-QMMMGPOBSA-N 1 2 296.283 -1.109 20 0 CAADLO CN(C)C(=O)C[NH+]1CCN(C(=O)C[C@H]2CCC(=O)N2)CC1 ZINC000854258831 582233801 /nfs/dbraw/zinc/23/38/01/582233801.db2.gz IXYYOZOXEIPRIA-LLVKDONJSA-N 1 2 296.371 -1.113 20 0 CAADLO C[NH+](C)C[C@@H](CO)NC(=O)C[C@@H]1SC(=N)NC1=O ZINC000854467666 582234426 /nfs/dbraw/zinc/23/44/26/582234426.db2.gz XJBSRKXWBTYPGZ-BQBZGAKWSA-N 1 2 274.346 -1.418 20 0 CAADLO CC(C)NC(=O)C[N@H+](C)CC(=O)N[C@@H]1COC(=O)C1 ZINC000854556935 582234828 /nfs/dbraw/zinc/23/48/28/582234828.db2.gz JBFHNSRGHUDSLX-VIFPVBQESA-N 1 2 271.317 -1.126 20 0 CAADLO CC(C)NC(=O)C[N@@H+](C)CC(=O)N[C@@H]1COC(=O)C1 ZINC000854556935 582234829 /nfs/dbraw/zinc/23/48/29/582234829.db2.gz JBFHNSRGHUDSLX-VIFPVBQESA-N 1 2 271.317 -1.126 20 0 CAADLO COC(=O)CN(CC[NH+]1CCOCC1)C[C@H](O)[C@@H](C)O ZINC000857706517 582239338 /nfs/dbraw/zinc/23/93/38/582239338.db2.gz XSHSSENTSVBPQT-NEPJUHHUSA-N 1 2 290.360 -1.465 20 0 CAADLO O=C(NCC[NH+]1CCOCC1)[C@H]1CCOC(=O)N1 ZINC000858117894 582239485 /nfs/dbraw/zinc/23/94/85/582239485.db2.gz GATIAHHALMVIHZ-SECBINFHSA-N 1 2 257.290 -1.067 20 0 CAADLO O=C(N[C@@H]1Cc2c[nH+]cn2C1)C1=NN(CCO)C(=O)CC1 ZINC000857890513 582239529 /nfs/dbraw/zinc/23/95/29/582239529.db2.gz XECANOUPVKKCSI-SECBINFHSA-N 1 2 291.311 -1.105 20 0 CAADLO CN(C)S(=O)(=O)N1CC([NH2+]Cc2cnn(C)n2)C1 ZINC000858314548 582239811 /nfs/dbraw/zinc/23/98/11/582239811.db2.gz UCFOGZCMEYHSGM-UHFFFAOYSA-N 1 2 274.350 -1.605 20 0 CAADLO CC(C)[C@H](NC=O)C(=O)N1CC[NH+](CCO)CC1 ZINC000858389077 582240002 /nfs/dbraw/zinc/24/00/02/582240002.db2.gz QIDHBKKTPPXLEC-NSHDSACASA-N 1 2 257.334 -1.107 20 0 CAADLO O=C([C@@H]1CCOC(=O)N1)N1CC[NH+](CCO)CC1 ZINC000858390347 582240084 /nfs/dbraw/zinc/24/00/84/582240084.db2.gz ZSOGWWVOUZSKBL-VIFPVBQESA-N 1 2 257.290 -1.379 20 0 CAADLO Cn1ncc(CNC(=O)NC[C@@H]2COCC[N@@H+]2C)n1 ZINC000858456244 582240270 /nfs/dbraw/zinc/24/02/70/582240270.db2.gz DBGJZLCNQPVUCY-SNVBAGLBSA-N 1 2 268.321 -1.055 20 0 CAADLO Cn1ncc(CNC(=O)NC[C@@H]2COCC[N@H+]2C)n1 ZINC000858456244 582240271 /nfs/dbraw/zinc/24/02/71/582240271.db2.gz DBGJZLCNQPVUCY-SNVBAGLBSA-N 1 2 268.321 -1.055 20 0 CAADLO COC[C@@H](O)CNC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000858838330 582240554 /nfs/dbraw/zinc/24/05/54/582240554.db2.gz FCHDHOKCAUEQGK-UWVGGRQHSA-N 1 2 261.322 -1.377 20 0 CAADLO COC[C@@H](O)CNC(=O)NC[C@H]1COCC[N@H+]1C ZINC000858838330 582240555 /nfs/dbraw/zinc/24/05/55/582240555.db2.gz FCHDHOKCAUEQGK-UWVGGRQHSA-N 1 2 261.322 -1.377 20 0 CAADLO C[C@@H]1C[N@H+](CCNC(=O)[C@@H]2COC(=O)N2)CCO1 ZINC000859042891 582240637 /nfs/dbraw/zinc/24/06/37/582240637.db2.gz XZOIARBUFWZCKH-BDAKNGLRSA-N 1 2 257.290 -1.068 20 0 CAADLO C[C@@H]1C[N@@H+](CCNC(=O)[C@@H]2COC(=O)N2)CCO1 ZINC000859042891 582240638 /nfs/dbraw/zinc/24/06/38/582240638.db2.gz XZOIARBUFWZCKH-BDAKNGLRSA-N 1 2 257.290 -1.068 20 0 CAADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1COC(=O)N1 ZINC000859203693 582240825 /nfs/dbraw/zinc/24/08/25/582240825.db2.gz FQVMIYBLWMBBOX-BDAKNGLRSA-N 1 2 257.290 -1.068 20 0 CAADLO C[C@@H]1COCC[N@H+]1CCNC(=O)[C@@H]1COC(=O)N1 ZINC000859203693 582240827 /nfs/dbraw/zinc/24/08/27/582240827.db2.gz FQVMIYBLWMBBOX-BDAKNGLRSA-N 1 2 257.290 -1.068 20 0 CAADLO O=C([C@@H]1COC(=O)N1)N1CC[NH+](CCn2cncn2)CC1 ZINC000859527695 582241479 /nfs/dbraw/zinc/24/14/79/582241479.db2.gz ZOTNTFVGTNYYPX-JTQLQIEISA-N 1 2 294.315 -1.469 20 0 CAADLO C[S@](=O)CC[NH+]1CCN(C(=O)[C@@H]2COC(=O)N2)CC1 ZINC000859542325 582241659 /nfs/dbraw/zinc/24/16/59/582241659.db2.gz DGTJRDHPDZFIKY-UGZDLDLSSA-N 1 2 289.357 -1.383 20 0 CAADLO CC(C)(C(N)=O)[NH+]1CCN(C(=O)[C@@H]2COC(=O)N2)CC1 ZINC000859723448 582241812 /nfs/dbraw/zinc/24/18/12/582241812.db2.gz DTXXFBYCZHXMHK-QMMMGPOBSA-N 1 2 284.316 -1.497 20 0 CAADLO CN1C(=O)CN(CC(=O)OCC[NH+]2CCOCC2)C1=O ZINC000860304711 582242567 /nfs/dbraw/zinc/24/25/67/582242567.db2.gz VYGPCPAAJNXJHA-UHFFFAOYSA-N 1 2 285.300 -1.244 20 0 CAADLO CCS(=O)(=O)CCNC(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000860584332 582242966 /nfs/dbraw/zinc/24/29/66/582242966.db2.gz JCRQHDBKYPVIBP-SNVBAGLBSA-N 1 2 293.389 -1.213 20 0 CAADLO CCS(=O)(=O)CCNC(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC000860584332 582242967 /nfs/dbraw/zinc/24/29/67/582242967.db2.gz JCRQHDBKYPVIBP-SNVBAGLBSA-N 1 2 293.389 -1.213 20 0 CAADLO CCS(=O)(=O)CCNC(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000860584315 582242970 /nfs/dbraw/zinc/24/29/70/582242970.db2.gz JCRQHDBKYPVIBP-JTQLQIEISA-N 1 2 293.389 -1.213 20 0 CAADLO CCS(=O)(=O)CCNC(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC000860584315 582242971 /nfs/dbraw/zinc/24/29/71/582242971.db2.gz JCRQHDBKYPVIBP-JTQLQIEISA-N 1 2 293.389 -1.213 20 0 CAADLO C[C@H](C(=O)N[C@@H](CO)C[NH+]1CCOCC1)[C@H]1CCC(=O)N1 ZINC000861518159 582243858 /nfs/dbraw/zinc/24/38/58/582243858.db2.gz SRKYROJTJYKNEB-QJPTWQEYSA-N 1 2 299.371 -1.290 20 0 CAADLO O=C(N[C@H](CO)C[NH+]1CCOCC1)[C@H]1CCOC(=O)N1 ZINC000861518262 582243862 /nfs/dbraw/zinc/24/38/62/582243862.db2.gz WIAUYXNSWOURBN-VHSXEESVSA-N 1 2 287.316 -1.706 20 0 CAADLO O=C(N[C@H](CO)C[NH+]1CCOCC1)[C@@H]1CCOC(=O)N1 ZINC000861518261 582243984 /nfs/dbraw/zinc/24/39/84/582243984.db2.gz WIAUYXNSWOURBN-UWVGGRQHSA-N 1 2 287.316 -1.706 20 0 CAADLO C[C@H](C(=O)N[C@H](CO)C[NH+]1CCOCC1)[C@@H]1CCC(=O)N1 ZINC000861518161 582243992 /nfs/dbraw/zinc/24/39/92/582243992.db2.gz SRKYROJTJYKNEB-SRVKXCTJSA-N 1 2 299.371 -1.290 20 0 CAADLO CC(C)NC(=O)C[N@H+](C)CC(=O)NC[C@@H]1COCO1 ZINC000861964273 582245851 /nfs/dbraw/zinc/24/58/51/582245851.db2.gz BHIRJEUPQWVIGP-SNVBAGLBSA-N 1 2 273.333 -1.068 20 0 CAADLO CC(C)NC(=O)C[N@@H+](C)CC(=O)NC[C@@H]1COCO1 ZINC000861964273 582245853 /nfs/dbraw/zinc/24/58/53/582245853.db2.gz BHIRJEUPQWVIGP-SNVBAGLBSA-N 1 2 273.333 -1.068 20 0 CAADLO C[N@@H+]1CCC[C@@H]1C(=O)NN1CCS(=O)(=O)CC1 ZINC000862735955 582247369 /nfs/dbraw/zinc/24/73/69/582247369.db2.gz SGVRCOODKDWQHM-SECBINFHSA-N 1 2 261.347 -1.158 20 0 CAADLO C[N@H+]1CCC[C@@H]1C(=O)NN1CCS(=O)(=O)CC1 ZINC000862735955 582247370 /nfs/dbraw/zinc/24/73/70/582247370.db2.gz SGVRCOODKDWQHM-SECBINFHSA-N 1 2 261.347 -1.158 20 0 CAADLO CS(=O)(=O)NC1CN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000862839904 582247700 /nfs/dbraw/zinc/24/77/00/582247700.db2.gz OCKMMKPQZLXSCR-UHFFFAOYSA-N 1 2 258.303 -1.288 20 0 CAADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)CCn1cc[nH]c(=O)c1=O ZINC000862973714 582247882 /nfs/dbraw/zinc/24/78/82/582247882.db2.gz TXEOKWBIYBBFLS-JTQLQIEISA-N 1 2 296.327 -1.627 20 0 CAADLO C[N@H+]1CCOC[C@@H]1CNC(=O)CCn1cc[nH]c(=O)c1=O ZINC000862973714 582247883 /nfs/dbraw/zinc/24/78/83/582247883.db2.gz TXEOKWBIYBBFLS-JTQLQIEISA-N 1 2 296.327 -1.627 20 0 CAADLO Cn1cc([C@H](O)C(=O)NC[C@H]2COCC[N@@H+]2C)cn1 ZINC000862969839 582247935 /nfs/dbraw/zinc/24/79/35/582247935.db2.gz OSHXHALYAACVAO-QWRGUYRKSA-N 1 2 268.317 -1.100 20 0 CAADLO Cn1cc([C@H](O)C(=O)NC[C@H]2COCC[N@H+]2C)cn1 ZINC000862969839 582247936 /nfs/dbraw/zinc/24/79/36/582247936.db2.gz OSHXHALYAACVAO-QWRGUYRKSA-N 1 2 268.317 -1.100 20 0 CAADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CCOC(=O)N1 ZINC000862970085 582247975 /nfs/dbraw/zinc/24/79/75/582247975.db2.gz SVGBLQXDXOEMCK-DTWKUNHWSA-N 1 2 257.290 -1.068 20 0 CAADLO C[N@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CCOC(=O)N1 ZINC000862970085 582247976 /nfs/dbraw/zinc/24/79/76/582247976.db2.gz SVGBLQXDXOEMCK-DTWKUNHWSA-N 1 2 257.290 -1.068 20 0 CAADLO C[N@@H+]1CCOC[C@H]1CNC(=O)C1=NN(CCO)C(=O)CC1 ZINC000862970724 582247994 /nfs/dbraw/zinc/24/79/94/582247994.db2.gz MGQMHNMHCNWTGE-SNVBAGLBSA-N 1 2 298.343 -1.596 20 0 CAADLO C[N@H+]1CCOC[C@H]1CNC(=O)C1=NN(CCO)C(=O)CC1 ZINC000862970724 582247995 /nfs/dbraw/zinc/24/79/95/582247995.db2.gz MGQMHNMHCNWTGE-SNVBAGLBSA-N 1 2 298.343 -1.596 20 0 CAADLO C[C@@H]1OC(=O)N[C@H]1C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000862971242 582248009 /nfs/dbraw/zinc/24/80/09/582248009.db2.gz QOBBNXSXSHVIKP-DJLDLDEBSA-N 1 2 257.290 -1.070 20 0 CAADLO C[C@@H]1OC(=O)N[C@H]1C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000862971242 582248011 /nfs/dbraw/zinc/24/80/11/582248011.db2.gz QOBBNXSXSHVIKP-DJLDLDEBSA-N 1 2 257.290 -1.070 20 0 CAADLO C[N@@H+]1CCOC[C@H]1CNC(=O)CCn1cc[nH]c(=O)c1=O ZINC000862973715 582248027 /nfs/dbraw/zinc/24/80/27/582248027.db2.gz TXEOKWBIYBBFLS-SNVBAGLBSA-N 1 2 296.327 -1.627 20 0 CAADLO C[N@H+]1CCOC[C@H]1CNC(=O)CCn1cc[nH]c(=O)c1=O ZINC000862973715 582248028 /nfs/dbraw/zinc/24/80/28/582248028.db2.gz TXEOKWBIYBBFLS-SNVBAGLBSA-N 1 2 296.327 -1.627 20 0 CAADLO CN(C)C(=O)CNC(=S)NC[C@@H]1COCC[N@@H+]1C ZINC000863226520 582248221 /nfs/dbraw/zinc/24/82/21/582248221.db2.gz JEABEOGFUNADKT-SECBINFHSA-N 1 2 274.390 -1.131 20 0 CAADLO CN(C)C(=O)CNC(=S)NC[C@@H]1COCC[N@H+]1C ZINC000863226520 582248222 /nfs/dbraw/zinc/24/82/22/582248222.db2.gz JEABEOGFUNADKT-SECBINFHSA-N 1 2 274.390 -1.131 20 0 CAADLO COC(=O)[C@]1(OC)CC[N@H+](CN2C(=O)C(=O)N(C)C2=O)C1 ZINC000863296560 582248513 /nfs/dbraw/zinc/24/85/13/582248513.db2.gz JVINNOWHZHTDAN-LBPRGKRZSA-N 1 2 299.283 -1.372 20 0 CAADLO COC(=O)[C@]1(OC)CC[N@@H+](CN2C(=O)C(=O)N(C)C2=O)C1 ZINC000863296560 582248515 /nfs/dbraw/zinc/24/85/15/582248515.db2.gz JVINNOWHZHTDAN-LBPRGKRZSA-N 1 2 299.283 -1.372 20 0 CAADLO CN(C)S(=O)(=O)N1CC(NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000863541799 582248956 /nfs/dbraw/zinc/24/89/56/582248956.db2.gz CLLWTIDMNFKZEL-UHFFFAOYSA-N 1 2 287.345 -1.441 20 0 CAADLO CN1CCO[C@H](C(=O)N2CC[N@H+](C)[C@@H](CO)C2)C1=O ZINC000864078020 582251317 /nfs/dbraw/zinc/25/13/17/582251317.db2.gz KNKTXUDBTTXKOR-ZJUUUORDSA-N 1 2 271.317 -2.022 20 0 CAADLO CN1CCO[C@H](C(=O)N2CC[N@@H+](C)[C@@H](CO)C2)C1=O ZINC000864078020 582251318 /nfs/dbraw/zinc/25/13/18/582251318.db2.gz KNKTXUDBTTXKOR-ZJUUUORDSA-N 1 2 271.317 -2.022 20 0 CAADLO CN1CC[C@](C)(C(=O)N2CC[N@H+](C)[C@H](CO)C2)C1=O ZINC000864079582 582251690 /nfs/dbraw/zinc/25/16/90/582251690.db2.gz YMWHSIVPMIYAQY-GWCFXTLKSA-N 1 2 269.345 -1.010 20 0 CAADLO CN1CC[C@](C)(C(=O)N2CC[N@@H+](C)[C@H](CO)C2)C1=O ZINC000864079582 582251691 /nfs/dbraw/zinc/25/16/91/582251691.db2.gz YMWHSIVPMIYAQY-GWCFXTLKSA-N 1 2 269.345 -1.010 20 0 CAADLO Cn1cc(C(=O)NC[C@H]2COCC[N@@H+]2C)n(C)c1=O ZINC000864082572 582251918 /nfs/dbraw/zinc/25/19/18/582251918.db2.gz OUYRVXLPYJOFOB-VIFPVBQESA-N 1 2 268.317 -1.216 20 0 CAADLO Cn1cc(C(=O)NC[C@H]2COCC[N@H+]2C)n(C)c1=O ZINC000864082572 582251919 /nfs/dbraw/zinc/25/19/19/582251919.db2.gz OUYRVXLPYJOFOB-VIFPVBQESA-N 1 2 268.317 -1.216 20 0 CAADLO CN1CCO[C@H](C(=O)NC[C@@H]2COCC[N@@H+]2C)C1=O ZINC000864083036 582252085 /nfs/dbraw/zinc/25/20/85/582252085.db2.gz XCKWWHZHJUVPPU-NXEZZACHSA-N 1 2 271.317 -1.710 20 0 CAADLO CN1CCO[C@H](C(=O)NC[C@@H]2COCC[N@H+]2C)C1=O ZINC000864083036 582252087 /nfs/dbraw/zinc/25/20/87/582252087.db2.gz XCKWWHZHJUVPPU-NXEZZACHSA-N 1 2 271.317 -1.710 20 0 CAADLO CN1CCN(C(=O)C(F)C(=O)N2CC[NH+](C)CC2)CC1 ZINC000864382184 582252418 /nfs/dbraw/zinc/25/24/18/582252418.db2.gz OGAOTBXTUZSCLV-UHFFFAOYSA-N 1 2 286.351 -1.128 20 0 CAADLO CN(C)C(=O)CN1CCN(C(=O)[C@H](O)c2c[nH+]c[nH]2)CC1 ZINC000864556695 582252442 /nfs/dbraw/zinc/25/24/42/582252442.db2.gz CRTVKJQCPFDHAU-GFCCVEGCSA-N 1 2 295.343 -1.325 20 0 CAADLO C[NH+](C)CC(=O)N1CCN(C(=O)[C@H](O)c2c[nH]cn2)CC1 ZINC000864838134 582252646 /nfs/dbraw/zinc/25/26/46/582252646.db2.gz XIVITDLVTJGYTJ-GFCCVEGCSA-N 1 2 295.343 -1.325 20 0 CAADLO COCC[N@H+](C)Cc1cn(CCNS(C)(=O)=O)nn1 ZINC000864653758 582252659 /nfs/dbraw/zinc/25/26/59/582252659.db2.gz XNOOMTOYJKMADF-UHFFFAOYSA-N 1 2 291.377 -1.095 20 0 CAADLO COCC[N@@H+](C)Cc1cn(CCNS(C)(=O)=O)nn1 ZINC000864653758 582252660 /nfs/dbraw/zinc/25/26/60/582252660.db2.gz XNOOMTOYJKMADF-UHFFFAOYSA-N 1 2 291.377 -1.095 20 0 CAADLO NC(=O)CN1CCN(C(=O)/C=C/C[NH+]2CCOCC2)CC1 ZINC000865024903 582252854 /nfs/dbraw/zinc/25/28/54/582252854.db2.gz AAESLMCCTKAJEY-OWOJBTEDSA-N 1 2 296.371 -1.496 20 0 CAADLO NC(=O)[C@H]1CN(C(=O)/C=C/C[NH+]2CCOCC2)CCO1 ZINC000865065464 582252856 /nfs/dbraw/zinc/25/28/56/582252856.db2.gz NRWRIWSZACACNE-FMBMQGQPSA-N 1 2 283.328 -1.413 20 0 CAADLO NC(=O)[C@H]1CN(C(=O)/C=C\C[NH+]2CCOCC2)CCO1 ZINC000865065466 582252873 /nfs/dbraw/zinc/25/28/73/582252873.db2.gz NRWRIWSZACACNE-RFMOXSJOSA-N 1 2 283.328 -1.413 20 0 CAADLO O=C(N[C@@H](CO)C[NH+]1CCOCC1)N1CCOCC1 ZINC000866056192 582253443 /nfs/dbraw/zinc/25/34/43/582253443.db2.gz GGLHPBYYDLATER-LLVKDONJSA-N 1 2 273.333 -1.279 20 0 CAADLO O=C(/C=C/C[NH+]1CCOCC1)N1C[C@H](O)C[C@H](O)C1 ZINC000866290134 582253559 /nfs/dbraw/zinc/25/35/59/582253559.db2.gz QXTMLTMHUSKFEF-ZRGSSGQVSA-N 1 2 270.329 -1.171 20 0 CAADLO O=C(/C=C\C[NH+]1CCOCC1)N1C[C@H](O)C[C@H](O)C1 ZINC000866290133 582253576 /nfs/dbraw/zinc/25/35/76/582253576.db2.gz QXTMLTMHUSKFEF-ZLLARURESA-N 1 2 270.329 -1.171 20 0 CAADLO CN(C)C(=O)COC1CN(C(=O)[C@@H](O)c2c[nH+]c[nH]2)C1 ZINC000866345883 582253614 /nfs/dbraw/zinc/25/36/14/582253614.db2.gz GJUHYTCNODWJPD-NSHDSACASA-N 1 2 282.300 -1.241 20 0 CAADLO CCN(CC(=O)NC)S(=O)(=O)C[C@@H]1C[N@H+](C)CCO1 ZINC000866487985 582253717 /nfs/dbraw/zinc/25/37/17/582253717.db2.gz PLVALTYGNXYOOJ-JTQLQIEISA-N 1 2 293.389 -1.285 20 0 CAADLO CCN(CC(=O)NC)S(=O)(=O)C[C@@H]1C[N@@H+](C)CCO1 ZINC000866487985 582253719 /nfs/dbraw/zinc/25/37/19/582253719.db2.gz PLVALTYGNXYOOJ-JTQLQIEISA-N 1 2 293.389 -1.285 20 0 CAADLO O=S(=O)(CCn1cccn1)N1CC[NH+](CCO)CC1 ZINC000866423484 582253751 /nfs/dbraw/zinc/25/37/51/582253751.db2.gz TZDLCBISHUDUSI-UHFFFAOYSA-N 1 2 288.373 -1.177 20 0 CAADLO C[N@@H+]1CCO[C@@H](CS(=O)(=O)N[C@H]2CCOC2=O)C1 ZINC000866393864 582253794 /nfs/dbraw/zinc/25/37/94/582253794.db2.gz MAOOBBULVLKPNS-BDAKNGLRSA-N 1 2 278.330 -1.448 20 0 CAADLO C[N@H+]1CCO[C@@H](CS(=O)(=O)N[C@H]2CCOC2=O)C1 ZINC000866393864 582253795 /nfs/dbraw/zinc/25/37/95/582253795.db2.gz MAOOBBULVLKPNS-BDAKNGLRSA-N 1 2 278.330 -1.448 20 0 CAADLO O=C(/C=C/C[NH+]1CCOCC1)N[C@@H]1CCC(=O)NC1=O ZINC000866819818 582254304 /nfs/dbraw/zinc/25/43/04/582254304.db2.gz KUPUCUYZMNVGMP-TXXBHVLJSA-N 1 2 281.312 -1.204 20 0 CAADLO O=C(/C=C/C[NH+]1CCOCC1)N[C@H]1CCC(=O)NC1=O ZINC000866819819 582254350 /nfs/dbraw/zinc/25/43/50/582254350.db2.gz KUPUCUYZMNVGMP-YOLVWIGZSA-N 1 2 281.312 -1.204 20 0 CAADLO CC[S@](C)(=O)=NS(=O)(=O)NC[C@H]1COCC[NH2+]1 ZINC000866779131 582254357 /nfs/dbraw/zinc/25/43/57/582254357.db2.gz IMUZKYMELFADDV-PWJLMRLQSA-N 1 2 285.391 -1.073 20 0 CAADLO C[N@@H+]1CCN(S(=O)(=O)CCn2cccn2)[C@H](CO)C1 ZINC000867538041 582254587 /nfs/dbraw/zinc/25/45/87/582254587.db2.gz FTWMYIZQPMOJSI-NSHDSACASA-N 1 2 288.373 -1.179 20 0 CAADLO C[N@H+]1CCN(S(=O)(=O)CCn2cccn2)[C@H](CO)C1 ZINC000867538041 582254588 /nfs/dbraw/zinc/25/45/88/582254588.db2.gz FTWMYIZQPMOJSI-NSHDSACASA-N 1 2 288.373 -1.179 20 0 CAADLO CON(C)CCNS(=O)(=O)C[C@H]1C[N@H+](C)CCO1 ZINC000867496029 582254603 /nfs/dbraw/zinc/25/46/03/582254603.db2.gz XDPKUCBELVFGLF-SNVBAGLBSA-N 1 2 281.378 -1.270 20 0 CAADLO CON(C)CCNS(=O)(=O)C[C@H]1C[N@@H+](C)CCO1 ZINC000867496029 582254604 /nfs/dbraw/zinc/25/46/04/582254604.db2.gz XDPKUCBELVFGLF-SNVBAGLBSA-N 1 2 281.378 -1.270 20 0 CAADLO CS(C)(=O)=NS(=O)(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000867486161 582254622 /nfs/dbraw/zinc/25/46/22/582254622.db2.gz LEOIWDVDENFWIA-DTWKUNHWSA-N 1 2 297.402 -1.290 20 0 CAADLO CS(C)(=O)=NS(=O)(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000867486161 582254623 /nfs/dbraw/zinc/25/46/23/582254623.db2.gz LEOIWDVDENFWIA-DTWKUNHWSA-N 1 2 297.402 -1.290 20 0 CAADLO NC(=O)[C@H](O)CNC(=O)[C@@H]1CCC[N@H+](CC(F)F)C1 ZINC000867848475 582255009 /nfs/dbraw/zinc/25/50/09/582255009.db2.gz RCOHBKAFSLIPNT-HTQZYQBOSA-N 1 2 279.287 -1.074 20 0 CAADLO NC(=O)[C@H](O)CNC(=O)[C@@H]1CCC[N@@H+](CC(F)F)C1 ZINC000867848475 582255010 /nfs/dbraw/zinc/25/50/10/582255010.db2.gz RCOHBKAFSLIPNT-HTQZYQBOSA-N 1 2 279.287 -1.074 20 0 CAADLO NC(=O)[C@@H](O)CNC(=O)[C@H]1CCC[N@H+](CC(F)F)C1 ZINC000867848486 582255088 /nfs/dbraw/zinc/25/50/88/582255088.db2.gz RCOHBKAFSLIPNT-YUMQZZPRSA-N 1 2 279.287 -1.074 20 0 CAADLO NC(=O)[C@@H](O)CNC(=O)[C@H]1CCC[N@@H+](CC(F)F)C1 ZINC000867848486 582255090 /nfs/dbraw/zinc/25/50/90/582255090.db2.gz RCOHBKAFSLIPNT-YUMQZZPRSA-N 1 2 279.287 -1.074 20 0 CAADLO C[C@](O)(CO)CNC(=O)/C=C\C[NH+]1CCOCC1 ZINC000867949906 582255324 /nfs/dbraw/zinc/25/53/24/582255324.db2.gz LJSNDDLLEXTPRZ-ZZKXABKFSA-N 1 2 258.318 -1.266 20 0 CAADLO C[C@@](O)(CO)CNC(=O)/C=C/C[NH+]1CCOCC1 ZINC000867949904 582255337 /nfs/dbraw/zinc/25/53/37/582255337.db2.gz LJSNDDLLEXTPRZ-JDGPPOGSSA-N 1 2 258.318 -1.266 20 0 CAADLO C[C@@](O)(CO)CNC(=O)/C=C\C[NH+]1CCOCC1 ZINC000867949903 582255354 /nfs/dbraw/zinc/25/53/54/582255354.db2.gz LJSNDDLLEXTPRZ-DLGQBQFBSA-N 1 2 258.318 -1.266 20 0 CAADLO COC(=O)CNC(=O)CNC(=O)/C=C/C[NH+]1CCOCC1 ZINC000867919030 582255356 /nfs/dbraw/zinc/25/53/56/582255356.db2.gz FSTYQMHOLHDDIR-NSCUHMNNSA-N 1 2 299.327 -1.720 20 0 CAADLO CN1C(=O)C[C@H](NC(=O)/C=C/C[NH+]2CCOCC2)C1=O ZINC000868120506 582255761 /nfs/dbraw/zinc/25/57/61/582255761.db2.gz CHMULOBNONJCNO-PBKGFPTLSA-N 1 2 281.312 -1.252 20 0 CAADLO CN1C(=O)C[C@@H](NC(=O)/C=C\C[NH+]2CCOCC2)C1=O ZINC000868120505 582255763 /nfs/dbraw/zinc/25/57/63/582255763.db2.gz CHMULOBNONJCNO-MXQLGCADSA-N 1 2 281.312 -1.252 20 0 CAADLO COCCN1CN(C(=O)[C@H](O)c2c[nH+]c[nH]2)CC1=O ZINC000868116570 582255818 /nfs/dbraw/zinc/25/58/18/582255818.db2.gz DTUVJKWVLGPODP-SNVBAGLBSA-N 1 2 268.273 -1.282 20 0 CAADLO COCCN1CN(C(=O)[C@@H](O)c2c[nH+]c[nH]2)CC1=O ZINC000868116569 582255840 /nfs/dbraw/zinc/25/58/40/582255840.db2.gz DTUVJKWVLGPODP-JTQLQIEISA-N 1 2 268.273 -1.282 20 0 CAADLO O=C(N[C@@H](CO)C[NH+]1CCOCC1)[C@H]1CCC(=O)O1 ZINC000868029656 582255848 /nfs/dbraw/zinc/25/58/48/582255848.db2.gz OUBWIRHQRZUJMK-NXEZZACHSA-N 1 2 272.301 -1.499 20 0 CAADLO CC[C@@]1(C(=O)N[C@@H](CO)C[NH+]2CCOCC2)CCNC1=O ZINC000868028996 582255870 /nfs/dbraw/zinc/25/58/70/582255870.db2.gz DDVOEHJROPXELV-BXUZGUMPSA-N 1 2 299.371 -1.288 20 0 CAADLO NC(=O)[C@H](CO)NC(=O)[C@@H]1CCC[N@H+](CC(F)F)C1 ZINC000868268045 582255965 /nfs/dbraw/zinc/25/59/65/582255965.db2.gz WSMOFBPVBFFSAJ-SFYZADRCSA-N 1 2 279.287 -1.074 20 0 CAADLO NC(=O)[C@H](CO)NC(=O)[C@@H]1CCC[N@@H+](CC(F)F)C1 ZINC000868268045 582255966 /nfs/dbraw/zinc/25/59/66/582255966.db2.gz WSMOFBPVBFFSAJ-SFYZADRCSA-N 1 2 279.287 -1.074 20 0 CAADLO O=C(/C=C/C[NH+]1CCOCC1)N[C@@H]1COC[C@H]1O ZINC000868744146 582256607 /nfs/dbraw/zinc/25/66/07/582256607.db2.gz QVFCLCJQUQGXOD-COUIAZAYSA-N 1 2 256.302 -1.249 20 0 CAADLO O=C(/C=C/C[NH+]1CCOCC1)N1CC(O)(CO)C1 ZINC000868594818 582256620 /nfs/dbraw/zinc/25/66/20/582256620.db2.gz SDTBGOHZTXAUCN-OWOJBTEDSA-N 1 2 256.302 -1.560 20 0 CAADLO NC(=O)C[C@H]1CN(C(=O)/C=C\C[NH+]2CCOCC2)CCO1 ZINC000869482657 582257266 /nfs/dbraw/zinc/25/72/66/582257266.db2.gz QOJJDDGNERTPKN-BIOMNHJASA-N 1 2 297.355 -1.022 20 0 CAADLO CC[N@@H+]1CCOC[C@H]1C(=O)N1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000871527846 582258360 /nfs/dbraw/zinc/25/83/60/582258360.db2.gz DXRAMENROMBNCA-AXFHLTTASA-N 1 2 295.339 -1.220 20 0 CAADLO CC[N@H+]1CCOC[C@H]1C(=O)N1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000871527846 582258362 /nfs/dbraw/zinc/25/83/62/582258362.db2.gz DXRAMENROMBNCA-AXFHLTTASA-N 1 2 295.339 -1.220 20 0 CAADLO CC[N@@H+]1CCOC[C@@H]1C(=O)N1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000871527847 582258367 /nfs/dbraw/zinc/25/83/67/582258367.db2.gz DXRAMENROMBNCA-OUAUKWLOSA-N 1 2 295.339 -1.220 20 0 CAADLO CC[N@H+]1CCOC[C@@H]1C(=O)N1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000871527847 582258369 /nfs/dbraw/zinc/25/83/69/582258369.db2.gz DXRAMENROMBNCA-OUAUKWLOSA-N 1 2 295.339 -1.220 20 0 CAADLO CC(C)(O)C[C@H](O)C[NH+]1CC(NS(C)(=O)=O)C1 ZINC000871985405 582258789 /nfs/dbraw/zinc/25/87/89/582258789.db2.gz OOZAJCYVSNWPMO-VIFPVBQESA-N 1 2 266.363 -1.258 20 0 CAADLO C[C@@]1(C(=O)N2CC[NH+](CCO)CC2)CCC(=O)N1 ZINC000873979094 582259923 /nfs/dbraw/zinc/25/99/23/582259923.db2.gz ALEDOYSPTHKCBP-LBPRGKRZSA-N 1 2 255.318 -1.208 20 0 CAADLO CC[C@H]1COCC[N@@H+]1CCNC(=O)CS(=O)(=O)NC ZINC000874703902 582260409 /nfs/dbraw/zinc/26/04/09/582260409.db2.gz CMENNWKQKXSUFW-JTQLQIEISA-N 1 2 293.389 -1.237 20 0 CAADLO CC[C@H]1COCC[N@H+]1CCNC(=O)CS(=O)(=O)NC ZINC000874703902 582260411 /nfs/dbraw/zinc/26/04/11/582260411.db2.gz CMENNWKQKXSUFW-JTQLQIEISA-N 1 2 293.389 -1.237 20 0 CAADLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)C[C@@H]1NC(=O)NC1=O ZINC000874705033 582260430 /nfs/dbraw/zinc/26/04/30/582260430.db2.gz RJMJZFSMRMZLJV-ZJUUUORDSA-N 1 2 298.343 -1.189 20 0 CAADLO CC[C@@H]1COCC[N@H+]1CCNC(=O)C[C@@H]1NC(=O)NC1=O ZINC000874705033 582260433 /nfs/dbraw/zinc/26/04/33/582260433.db2.gz RJMJZFSMRMZLJV-ZJUUUORDSA-N 1 2 298.343 -1.189 20 0 CAADLO CC[C@H]1COCC[N@@H+]1CCNC(=O)CN1CC(=O)NC1=O ZINC000874702254 582260456 /nfs/dbraw/zinc/26/04/56/582260456.db2.gz JIBFSJXPAHHYPT-JTQLQIEISA-N 1 2 298.343 -1.235 20 0 CAADLO CC[C@H]1COCC[N@H+]1CCNC(=O)CN1CC(=O)NC1=O ZINC000874702254 582260458 /nfs/dbraw/zinc/26/04/58/582260458.db2.gz JIBFSJXPAHHYPT-JTQLQIEISA-N 1 2 298.343 -1.235 20 0 CAADLO COC(=O)C1(O)CN(C(=O)NCc2[nH+]ccn2C)C1 ZINC000875228616 582261031 /nfs/dbraw/zinc/26/10/31/582261031.db2.gz JIQUKUWDQAMOOC-UHFFFAOYSA-N 1 2 268.273 -1.151 20 0 CAADLO COC(=O)C1(O)CN(C(=O)NCc2c[nH+]cn2C)C1 ZINC000875592011 582261325 /nfs/dbraw/zinc/26/13/25/582261325.db2.gz UNUDELHYGRJZJZ-UHFFFAOYSA-N 1 2 268.273 -1.151 20 0 CAADLO CON(C)C(=O)CNC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000875676601 582261782 /nfs/dbraw/zinc/26/17/82/582261782.db2.gz INTFAULXXGJRNQ-VIFPVBQESA-N 1 2 274.321 -1.364 20 0 CAADLO CON(C)C(=O)CNC(=O)NC[C@H]1COCC[N@H+]1C ZINC000875676601 582261784 /nfs/dbraw/zinc/26/17/84/582261784.db2.gz INTFAULXXGJRNQ-VIFPVBQESA-N 1 2 274.321 -1.364 20 0 CAADLO COC(=O)C1(O)CN(C(=O)NC[C@H]2COCC[N@@H+]2C)C1 ZINC000875865201 582261885 /nfs/dbraw/zinc/26/18/85/582261885.db2.gz ZSYFLEVOUBFJFA-VIFPVBQESA-N 1 2 287.316 -1.754 20 0 CAADLO COC(=O)C1(O)CN(C(=O)NC[C@H]2COCC[N@H+]2C)C1 ZINC000875865201 582261886 /nfs/dbraw/zinc/26/18/86/582261886.db2.gz ZSYFLEVOUBFJFA-VIFPVBQESA-N 1 2 287.316 -1.754 20 0 CAADLO C[N@@H+]1CCOC[C@H]1CNC(=O)N[C@@H]1CCOC[C@H]1O ZINC000875863320 582261908 /nfs/dbraw/zinc/26/19/08/582261908.db2.gz GFYWPXXJCQLAHW-GMTAPVOTSA-N 1 2 273.333 -1.234 20 0 CAADLO C[N@H+]1CCOC[C@H]1CNC(=O)N[C@@H]1CCOC[C@H]1O ZINC000875863320 582261909 /nfs/dbraw/zinc/26/19/09/582261909.db2.gz GFYWPXXJCQLAHW-GMTAPVOTSA-N 1 2 273.333 -1.234 20 0 CAADLO COC(=O)C1(O)CN(C(=O)NC[C@@H]2COCC[N@@H+]2C)C1 ZINC000875865199 582261980 /nfs/dbraw/zinc/26/19/80/582261980.db2.gz ZSYFLEVOUBFJFA-SECBINFHSA-N 1 2 287.316 -1.754 20 0 CAADLO COC(=O)C1(O)CN(C(=O)NC[C@@H]2COCC[N@H+]2C)C1 ZINC000875865199 582261982 /nfs/dbraw/zinc/26/19/82/582261982.db2.gz ZSYFLEVOUBFJFA-SECBINFHSA-N 1 2 287.316 -1.754 20 0 CAADLO C[C@@H](C(=O)N(C)[C@H]1CCCCNC1=O)N1CC[NH2+]CC1=O ZINC000876632875 582262698 /nfs/dbraw/zinc/26/26/98/582262698.db2.gz ZFNSNUGHXJSKJZ-QWRGUYRKSA-N 1 2 296.371 -1.066 20 0 CAADLO C[C@H](C(=O)N(C)[C@H]1CCCCNC1=O)N1CC[NH2+]CC1=O ZINC000876632873 582262742 /nfs/dbraw/zinc/26/27/42/582262742.db2.gz ZFNSNUGHXJSKJZ-MNOVXSKESA-N 1 2 296.371 -1.066 20 0 CAADLO C[C@@H](C(=O)NCC1N=NC(=S)N1C)N1CC[NH2+]CC1=O ZINC000876648869 582262767 /nfs/dbraw/zinc/26/27/67/582262767.db2.gz YGUHXDMOWWELJJ-ZETCQYMHSA-N 1 2 298.372 -1.460 20 0 CAADLO C[NH+](C)C[C@H](N)C(=O)N1CCS(=O)(=O)C(C)(C)C1 ZINC000876688162 582262861 /nfs/dbraw/zinc/26/28/61/582262861.db2.gz VOFHZFPUXXIBTD-VIFPVBQESA-N 1 2 277.390 -1.089 20 0 CAADLO C[C@H](C(=O)NC[C@@H](O)c1cnn(C)c1)N1CC[NH2+]CC1=O ZINC000876681928 582262951 /nfs/dbraw/zinc/26/29/51/582262951.db2.gz CEGKZDZRDAXAMN-MWLCHTKSSA-N 1 2 295.343 -1.610 20 0 CAADLO CCn1ncc(CNC(=O)[C@@H](C)N2CC[NH2+]CC2=O)n1 ZINC000876990468 582263886 /nfs/dbraw/zinc/26/38/86/582263886.db2.gz DMMTZCJMGVMNJC-SECBINFHSA-N 1 2 280.332 -1.266 20 0 CAADLO COC(=O)C1=CC[C@@H](NC(=O)CN2CC[NH2+]CC2=O)C1 ZINC000877001320 582264094 /nfs/dbraw/zinc/26/40/94/582264094.db2.gz BBCWCHHMOPXGED-SNVBAGLBSA-N 1 2 281.312 -1.204 20 0 CAADLO CON(C)C(=O)[C@H](C)NC(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000877092230 582264258 /nfs/dbraw/zinc/26/42/58/582264258.db2.gz XNJZJUCXJKIZON-IUCAKERBSA-N 1 2 286.332 -1.669 20 0 CAADLO C[C@@H](C(=O)N1C[C@@H]2COC(=O)[C@@H]2C1)N1CC[NH2+]CC1=O ZINC000877114235 582264395 /nfs/dbraw/zinc/26/43/95/582264395.db2.gz NGFYNLBDVMTETG-IVZWLZJFSA-N 1 2 281.312 -1.562 20 0 CAADLO O=C(CN1CC[NH2+]CC1=O)N[C@H]1[C@@H]2OC[C@@H]3C[C@H]1C[C@@H]32 ZINC000877178521 582264533 /nfs/dbraw/zinc/26/45/33/582264533.db2.gz WBPGVXSNUXWAPX-HAOVPJPFSA-N 1 2 279.340 -1.042 20 0 CAADLO O=C(CN1CC[NH2+]CC1=O)N[C@@H]1[C@H]2C[C@H]3CO[C@H]1[C@H]3C2 ZINC000877178523 582264548 /nfs/dbraw/zinc/26/45/48/582264548.db2.gz WBPGVXSNUXWAPX-YHMRHEDISA-N 1 2 279.340 -1.042 20 0 CAADLO O=C(Cn1[nH]cc2c(=O)ncnc1-2)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000877166705 582264584 /nfs/dbraw/zinc/26/45/84/582264584.db2.gz FMUZMCRROUYZJI-YUMQZZPRSA-N 1 2 274.284 -1.356 20 0 CAADLO O=C(CN1CC[NH2+]CC1=O)N1CCO[C@@H](C(F)F)C1 ZINC000877298525 582265047 /nfs/dbraw/zinc/26/50/47/582265047.db2.gz ALENOJXRDLBWRQ-MRVPVSSYSA-N 1 2 277.271 -1.089 20 0 CAADLO COC(=O)C[C@@H]1C(=O)NCC[N@H+]1C[C@H](O)CC(C)(C)O ZINC000877902696 582265354 /nfs/dbraw/zinc/26/53/54/582265354.db2.gz FDOKUESEABZHEG-NXEZZACHSA-N 1 2 288.344 -1.128 20 0 CAADLO COC(=O)C[C@@H]1C(=O)NCC[N@@H+]1C[C@H](O)CC(C)(C)O ZINC000877902696 582265355 /nfs/dbraw/zinc/26/53/55/582265355.db2.gz FDOKUESEABZHEG-NXEZZACHSA-N 1 2 288.344 -1.128 20 0 CAADLO C[C@@H](C(=O)NC1CC1)N1CC[NH+](CCn2cnnn2)CC1 ZINC000877897512 582265373 /nfs/dbraw/zinc/26/53/73/582265373.db2.gz WWKVBJHWMFBMIA-NSHDSACASA-N 1 2 293.375 -1.042 20 0 CAADLO C[C@@H](C(=O)NC1CC1)[NH+]1CCN(CCn2cnnn2)CC1 ZINC000877897512 582265374 /nfs/dbraw/zinc/26/53/74/582265374.db2.gz WWKVBJHWMFBMIA-NSHDSACASA-N 1 2 293.375 -1.042 20 0 CAADLO CCn1nc(C)c(C[NH2+]CC(=O)NCC(=O)OC)n1 ZINC000877707150 582265386 /nfs/dbraw/zinc/26/53/86/582265386.db2.gz YBEKHJOGBHMZHY-UHFFFAOYSA-N 1 2 269.305 -1.015 20 0 CAADLO Cn1nnnc1CC[NH+]1CCN(S(C)(=O)=O)CC1 ZINC000877893587 582265392 /nfs/dbraw/zinc/26/53/92/582265392.db2.gz SNCKFEMWRNMFMA-UHFFFAOYSA-N 1 2 274.350 -1.670 20 0 CAADLO C[C@H](C(=O)NC1CC1)N1CC[NH+](CCn2cnnn2)CC1 ZINC000877897511 582265436 /nfs/dbraw/zinc/26/54/36/582265436.db2.gz WWKVBJHWMFBMIA-LLVKDONJSA-N 1 2 293.375 -1.042 20 0 CAADLO C[C@H](C(=O)NC1CC1)[NH+]1CCN(CCn2cnnn2)CC1 ZINC000877897511 582265437 /nfs/dbraw/zinc/26/54/37/582265437.db2.gz WWKVBJHWMFBMIA-LLVKDONJSA-N 1 2 293.375 -1.042 20 0 CAADLO COCC(=O)N1CC[NH+](CCn2cnnn2)CC1 ZINC000877967004 582265510 /nfs/dbraw/zinc/26/55/10/582265510.db2.gz BAWANOCVVWBBBN-UHFFFAOYSA-N 1 2 254.294 -1.536 20 0 CAADLO COCC[N@H+](CCc1nnnn1C)CC(=O)N(C)C ZINC000877968434 582265520 /nfs/dbraw/zinc/26/55/20/582265520.db2.gz MUSZGFWEUOMXNY-UHFFFAOYSA-N 1 2 270.337 -1.211 20 0 CAADLO COCC[N@@H+](CCc1nnnn1C)CC(=O)N(C)C ZINC000877968434 582265521 /nfs/dbraw/zinc/26/55/21/582265521.db2.gz MUSZGFWEUOMXNY-UHFFFAOYSA-N 1 2 270.337 -1.211 20 0 CAADLO CN(C)C(=O)C[NH+]1CCN(C(=O)C[C@H]2CCNC2=O)CC1 ZINC000877972789 582265543 /nfs/dbraw/zinc/26/55/43/582265543.db2.gz OFRYGUDSSKOJKH-LLVKDONJSA-N 1 2 296.371 -1.255 20 0 CAADLO O=C(NC1CC1)C(=O)N1CC[NH+](CCn2cnnn2)CC1 ZINC000877967011 582265554 /nfs/dbraw/zinc/26/55/54/582265554.db2.gz BMWDIKLGDQYQRL-UHFFFAOYSA-N 1 2 293.331 -1.904 20 0 CAADLO O=C1NC[C@H]2C[N@H+](CCn3cnnn3)CCN2C1=O ZINC000878194045 582265767 /nfs/dbraw/zinc/26/57/67/582265767.db2.gz DOMPGKZCOZNJJR-QMMMGPOBSA-N 1 2 265.277 -2.684 20 0 CAADLO O=C1NC[C@H]2C[N@@H+](CCn3cnnn3)CCN2C1=O ZINC000878194045 582265768 /nfs/dbraw/zinc/26/57/68/582265768.db2.gz DOMPGKZCOZNJJR-QMMMGPOBSA-N 1 2 265.277 -2.684 20 0 CAADLO COCC[N@H+](CCn1cnnn1)[C@H]1CCS(=O)(=O)C1 ZINC000878309824 582265990 /nfs/dbraw/zinc/26/59/90/582265990.db2.gz RVFRJGXSLNUIBS-JTQLQIEISA-N 1 2 289.361 -1.191 20 0 CAADLO COCC[N@@H+](CCn1cnnn1)[C@H]1CCS(=O)(=O)C1 ZINC000878309824 582265991 /nfs/dbraw/zinc/26/59/91/582265991.db2.gz RVFRJGXSLNUIBS-JTQLQIEISA-N 1 2 289.361 -1.191 20 0 CAADLO Cn1nnnc1CC[NH+]1CCN(C(=O)CO)CC1 ZINC000878304260 582266047 /nfs/dbraw/zinc/26/60/47/582266047.db2.gz DYOZQPZQUJDDGK-UHFFFAOYSA-N 1 2 254.294 -2.111 20 0 CAADLO C[C@H]1C[N@H+](CCn2cnnn2)CCN1S(C)(=O)=O ZINC000878380338 582266158 /nfs/dbraw/zinc/26/61/58/582266158.db2.gz XBRCQWGVXFMABO-VIFPVBQESA-N 1 2 274.350 -1.361 20 0 CAADLO C[C@H]1C[N@@H+](CCn2cnnn2)CCN1S(C)(=O)=O ZINC000878380338 582266159 /nfs/dbraw/zinc/26/61/59/582266159.db2.gz XBRCQWGVXFMABO-VIFPVBQESA-N 1 2 274.350 -1.361 20 0 CAADLO C[C@H](O)C(=O)N1CC[NH+](CCn2cnnn2)CC1 ZINC000878330920 582266170 /nfs/dbraw/zinc/26/61/70/582266170.db2.gz MVUUSAUFMSZWOW-VIFPVBQESA-N 1 2 254.294 -1.802 20 0 CAADLO CNS(=O)(=O)N1CC[NH+](CCN2CCOC2=O)CC1 ZINC000878617219 582266252 /nfs/dbraw/zinc/26/62/52/582266252.db2.gz KNFRBGMFIPKXNQ-UHFFFAOYSA-N 1 2 292.361 -1.480 20 0 CAADLO COC(=O)[C@@H]1[C@@H](O)CCC[N@@H+]1CCn1cnnn1 ZINC000878477916 582266267 /nfs/dbraw/zinc/26/62/67/582266267.db2.gz VYAQVNCHVQJMBA-IUCAKERBSA-N 1 2 255.278 -1.329 20 0 CAADLO COC(=O)[C@@H]1[C@@H](O)CCC[N@H+]1CCn1cnnn1 ZINC000878477916 582266268 /nfs/dbraw/zinc/26/62/68/582266268.db2.gz VYAQVNCHVQJMBA-IUCAKERBSA-N 1 2 255.278 -1.329 20 0 CAADLO COC(=O)[C@H]1[C@@H](O)CCC[N@@H+]1CCn1cnnn1 ZINC000878477915 582266288 /nfs/dbraw/zinc/26/62/88/582266288.db2.gz VYAQVNCHVQJMBA-DTWKUNHWSA-N 1 2 255.278 -1.329 20 0 CAADLO COC(=O)[C@H]1[C@@H](O)CCC[N@H+]1CCn1cnnn1 ZINC000878477915 582266289 /nfs/dbraw/zinc/26/62/89/582266289.db2.gz VYAQVNCHVQJMBA-DTWKUNHWSA-N 1 2 255.278 -1.329 20 0 CAADLO C[C@@H]1C[N@H+](CCNC(=O)c2nnn(C)n2)CCO1 ZINC000878592069 582266299 /nfs/dbraw/zinc/26/62/99/582266299.db2.gz HWVLPYTWADSPDD-MRVPVSSYSA-N 1 2 254.294 -1.339 20 0 CAADLO C[C@@H]1C[N@@H+](CCNC(=O)c2nnn(C)n2)CCO1 ZINC000878592069 582266300 /nfs/dbraw/zinc/26/63/00/582266300.db2.gz HWVLPYTWADSPDD-MRVPVSSYSA-N 1 2 254.294 -1.339 20 0 CAADLO O=C1CC[C@H]([NH+]2CCN(c3nc[nH]n3)CC2)C(=O)N1 ZINC000878824985 582266762 /nfs/dbraw/zinc/26/67/62/582266762.db2.gz UJEFTGUGPBVDBC-QMMMGPOBSA-N 1 2 264.289 -1.268 20 0 CAADLO OCC(F)(F)CN1CC[NH+](CCn2cnnn2)CC1 ZINC000878830652 582266774 /nfs/dbraw/zinc/26/67/74/582266774.db2.gz OWEBOUQQDLMDNK-UHFFFAOYSA-N 1 2 276.291 -1.082 20 0 CAADLO CC[N@@H+]1CCO[C@@H](CNC(=O)c2nnn(C)n2)C1 ZINC000878869245 582266814 /nfs/dbraw/zinc/26/68/14/582266814.db2.gz ZKDNVQXEOWWFSZ-QMMMGPOBSA-N 1 2 254.294 -1.339 20 0 CAADLO CC[N@H+]1CCO[C@@H](CNC(=O)c2nnn(C)n2)C1 ZINC000878869245 582266815 /nfs/dbraw/zinc/26/68/15/582266815.db2.gz ZKDNVQXEOWWFSZ-QMMMGPOBSA-N 1 2 254.294 -1.339 20 0 CAADLO CC[N@@H+]1CCO[C@H](CNC(=O)c2nnn(C)n2)C1 ZINC000878869244 582266829 /nfs/dbraw/zinc/26/68/29/582266829.db2.gz ZKDNVQXEOWWFSZ-MRVPVSSYSA-N 1 2 254.294 -1.339 20 0 CAADLO CC[N@H+]1CCO[C@H](CNC(=O)c2nnn(C)n2)C1 ZINC000878869244 582266830 /nfs/dbraw/zinc/26/68/30/582266830.db2.gz ZKDNVQXEOWWFSZ-MRVPVSSYSA-N 1 2 254.294 -1.339 20 0 CAADLO CNC(=O)NC[C@H]1C[N@H+](CCn2cnnn2)CCO1 ZINC000879033640 582267000 /nfs/dbraw/zinc/26/70/00/582267000.db2.gz PYDSIKOOAIZTPJ-VIFPVBQESA-N 1 2 269.309 -1.697 20 0 CAADLO CNC(=O)NC[C@H]1C[N@@H+](CCn2cnnn2)CCO1 ZINC000879033640 582267001 /nfs/dbraw/zinc/26/70/01/582267001.db2.gz PYDSIKOOAIZTPJ-VIFPVBQESA-N 1 2 269.309 -1.697 20 0 CAADLO CNC(=O)NC[C@@H]1C[N@H+](CCn2cnnn2)CCO1 ZINC000879033638 582267025 /nfs/dbraw/zinc/26/70/25/582267025.db2.gz PYDSIKOOAIZTPJ-SECBINFHSA-N 1 2 269.309 -1.697 20 0 CAADLO CNC(=O)NC[C@@H]1C[N@@H+](CCn2cnnn2)CCO1 ZINC000879033638 582267026 /nfs/dbraw/zinc/26/70/26/582267026.db2.gz PYDSIKOOAIZTPJ-SECBINFHSA-N 1 2 269.309 -1.697 20 0 CAADLO COC(=O)[C@](C)(O)C[N@@H+]1CCO[C@@H](Cn2ccnn2)C1 ZINC000878985086 582267053 /nfs/dbraw/zinc/26/70/53/582267053.db2.gz BGJVVVRKYVXUJK-ZYHUDNBSSA-N 1 2 284.316 -1.097 20 0 CAADLO COC(=O)[C@](C)(O)C[N@H+]1CCO[C@@H](Cn2ccnn2)C1 ZINC000878985086 582267054 /nfs/dbraw/zinc/26/70/54/582267054.db2.gz BGJVVVRKYVXUJK-ZYHUDNBSSA-N 1 2 284.316 -1.097 20 0 CAADLO O=C(C[C@H]1CCNC1=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000879247727 582267296 /nfs/dbraw/zinc/26/72/96/582267296.db2.gz HKTWVEJRGSJBMZ-GHMZBOCLSA-N 1 2 266.345 -1.371 20 0 CAADLO O=C(C[C@H]1CCNC1=O)N(CCO)CC[NH+]1CCOCC1 ZINC000879304375 582267307 /nfs/dbraw/zinc/26/73/07/582267307.db2.gz KNMHRLQTJSQJDO-GFCCVEGCSA-N 1 2 299.371 -1.334 20 0 CAADLO O=C(C[C@@H]1CCNC1=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000879247730 582267340 /nfs/dbraw/zinc/26/73/40/582267340.db2.gz HKTWVEJRGSJBMZ-WDEREUQCSA-N 1 2 266.345 -1.371 20 0 CAADLO CN1C(=O)[C@H]2C[N@H+](CC(=O)Nc3cnccn3)C[C@H]2C1=O ZINC000879535542 582267603 /nfs/dbraw/zinc/26/76/03/582267603.db2.gz PBEMHEYADXVIBC-DTORHVGOSA-N 1 2 289.295 -1.038 20 0 CAADLO CN1C(=O)[C@H]2C[N@@H+](CC(=O)Nc3cnccn3)C[C@H]2C1=O ZINC000879535542 582267604 /nfs/dbraw/zinc/26/76/04/582267604.db2.gz PBEMHEYADXVIBC-DTORHVGOSA-N 1 2 289.295 -1.038 20 0 CAADLO C[C@@H](c1nnnn1C)[N@@H+]1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000879535162 582267690 /nfs/dbraw/zinc/26/76/90/582267690.db2.gz IFJJSFAFOCHHTB-BIIVOSGPSA-N 1 2 264.289 -1.182 20 0 CAADLO C[C@@H](c1nnnn1C)[N@H+]1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000879535162 582267691 /nfs/dbraw/zinc/26/76/91/582267691.db2.gz IFJJSFAFOCHHTB-BIIVOSGPSA-N 1 2 264.289 -1.182 20 0 CAADLO COCCCS(=O)(=O)NCC[N@@H+]1CC[C@@H](O)[C@@H](O)C1 ZINC000879611082 582267900 /nfs/dbraw/zinc/26/79/00/582267900.db2.gz DEKLZIHXNIHDOA-MNOVXSKESA-N 1 2 296.389 -1.630 20 0 CAADLO COCCCS(=O)(=O)NCC[N@H+]1CC[C@@H](O)[C@@H](O)C1 ZINC000879611082 582267902 /nfs/dbraw/zinc/26/79/02/582267902.db2.gz DEKLZIHXNIHDOA-MNOVXSKESA-N 1 2 296.389 -1.630 20 0 CAADLO COC(=O)[C@@H](NC(=O)C[N@@H+]1CC[C@@H](O)[C@@H](O)C1)C(C)C ZINC000879609315 582267948 /nfs/dbraw/zinc/26/79/48/582267948.db2.gz QTSRTSDFNGYLQS-SCVCMEIPSA-N 1 2 288.344 -1.272 20 0 CAADLO COC(=O)[C@@H](NC(=O)C[N@H+]1CC[C@@H](O)[C@@H](O)C1)C(C)C ZINC000879609315 582267949 /nfs/dbraw/zinc/26/79/49/582267949.db2.gz QTSRTSDFNGYLQS-SCVCMEIPSA-N 1 2 288.344 -1.272 20 0 CAADLO O=C1NCCO[C@H]2CCC[N@H+](CCn3cnnn3)[C@@H]12 ZINC000879727551 582268267 /nfs/dbraw/zinc/26/82/67/582268267.db2.gz GBXIWVLFOFNBLY-VHSXEESVSA-N 1 2 266.305 -1.348 20 0 CAADLO O=C1NCCO[C@H]2CCC[N@@H+](CCn3cnnn3)[C@@H]12 ZINC000879727551 582268268 /nfs/dbraw/zinc/26/82/68/582268268.db2.gz GBXIWVLFOFNBLY-VHSXEESVSA-N 1 2 266.305 -1.348 20 0 CAADLO COC(=O)[C@H]1C[C@@H](O)C[N@@H+]1CCN1C(=O)N[C@H](C)C1=O ZINC000879743660 582268448 /nfs/dbraw/zinc/26/84/48/582268448.db2.gz ZUAMRRWCMYVJKY-IWSPIJDZSA-N 1 2 285.300 -1.465 20 0 CAADLO COC(=O)[C@H]1C[C@@H](O)C[N@H+]1CCN1C(=O)N[C@H](C)C1=O ZINC000879743660 582268450 /nfs/dbraw/zinc/26/84/50/582268450.db2.gz ZUAMRRWCMYVJKY-IWSPIJDZSA-N 1 2 285.300 -1.465 20 0 CAADLO C[C@H]1C[N@H+](CCN(C)CCS(N)(=O)=O)CCO1 ZINC000880084307 582268659 /nfs/dbraw/zinc/26/86/59/582268659.db2.gz IXTWGDDYCFTOAV-JTQLQIEISA-N 1 2 265.379 -1.073 20 0 CAADLO C[C@H]1C[N@@H+](CCN(C)CCS(N)(=O)=O)CCO1 ZINC000880084307 582268660 /nfs/dbraw/zinc/26/86/60/582268660.db2.gz IXTWGDDYCFTOAV-JTQLQIEISA-N 1 2 265.379 -1.073 20 0 CAADLO C[C@@H]1CN(C(=O)C[N@H+](C)CCS(N)(=O)=O)CCO1 ZINC000880081403 582268753 /nfs/dbraw/zinc/26/87/53/582268753.db2.gz OPZUPXVIQFKERE-SECBINFHSA-N 1 2 279.362 -1.546 20 0 CAADLO C[C@@H]1CN(C(=O)C[N@@H+](C)CCS(N)(=O)=O)CCO1 ZINC000880081403 582268755 /nfs/dbraw/zinc/26/87/55/582268755.db2.gz OPZUPXVIQFKERE-SECBINFHSA-N 1 2 279.362 -1.546 20 0 CAADLO CNC(=O)C[NH+](CCCN1CCOC1=O)CC(=O)NC ZINC000880150534 582268945 /nfs/dbraw/zinc/26/89/45/582268945.db2.gz QDUSYVLSQSCEEN-UHFFFAOYSA-N 1 2 286.332 -1.377 20 0 CAADLO Cn1nnc(C(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)n1 ZINC000880216295 582269215 /nfs/dbraw/zinc/26/92/15/582269215.db2.gz VHULNYDBUOCPGL-DTORHVGOSA-N 1 2 266.305 -1.197 20 0 CAADLO Cn1nnc(C(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)n1 ZINC000880216295 582269216 /nfs/dbraw/zinc/26/92/16/582269216.db2.gz VHULNYDBUOCPGL-DTORHVGOSA-N 1 2 266.305 -1.197 20 0 CAADLO Cn1cc(S(=O)(=O)NCC[N@@H+]2CC=C[C@H]2CO)cn1 ZINC000880487525 582269454 /nfs/dbraw/zinc/26/94/54/582269454.db2.gz VTSGKIWGUIVMPR-JTQLQIEISA-N 1 2 286.357 -1.069 20 0 CAADLO Cn1cc(S(=O)(=O)NCC[N@H+]2CC=C[C@H]2CO)cn1 ZINC000880487525 582269455 /nfs/dbraw/zinc/26/94/55/582269455.db2.gz VTSGKIWGUIVMPR-JTQLQIEISA-N 1 2 286.357 -1.069 20 0 CAADLO NS(=O)(=O)CC[N@@H+]1CCC[C@@H]2CCNC(=O)[C@H]21 ZINC000880528898 582269516 /nfs/dbraw/zinc/26/95/16/582269516.db2.gz HOKCUPWXKKGWDX-BDAKNGLRSA-N 1 2 261.347 -1.125 20 0 CAADLO NS(=O)(=O)CC[N@H+]1CCC[C@@H]2CCNC(=O)[C@H]21 ZINC000880528898 582269517 /nfs/dbraw/zinc/26/95/17/582269517.db2.gz HOKCUPWXKKGWDX-BDAKNGLRSA-N 1 2 261.347 -1.125 20 0 CAADLO COC(=O)CNC(=O)C[N@@H+]1CCC[C@H]2CCNC(=O)[C@H]21 ZINC000880532488 582269672 /nfs/dbraw/zinc/26/96/72/582269672.db2.gz UDNHFWYCUNWTQV-CABZTGNLSA-N 1 2 283.328 -1.124 20 0 CAADLO COC(=O)CNC(=O)C[N@H+]1CCC[C@H]2CCNC(=O)[C@H]21 ZINC000880532488 582269673 /nfs/dbraw/zinc/26/96/73/582269673.db2.gz UDNHFWYCUNWTQV-CABZTGNLSA-N 1 2 283.328 -1.124 20 0 CAADLO COC(=O)[C@@]1(O)CC[N@H+](CC(=O)NC[C@H]2CCCO2)C1 ZINC000880557988 582269687 /nfs/dbraw/zinc/26/96/87/582269687.db2.gz HAYPOKPFOCFCBD-ZWNOBZJWSA-N 1 2 286.328 -1.109 20 0 CAADLO COC(=O)[C@@]1(O)CC[N@@H+](CC(=O)NC[C@H]2CCCO2)C1 ZINC000880557988 582269688 /nfs/dbraw/zinc/26/96/88/582269688.db2.gz HAYPOKPFOCFCBD-ZWNOBZJWSA-N 1 2 286.328 -1.109 20 0 CAADLO COC(=O)[C@@]1(O)CC[N@H+](CC(=O)N2CCNC(=O)C2)C1 ZINC000880558631 582269690 /nfs/dbraw/zinc/26/96/90/582269690.db2.gz VTPOHGXXOPOYNP-GFCCVEGCSA-N 1 2 285.300 -2.445 20 0 CAADLO COC(=O)[C@@]1(O)CC[N@@H+](CC(=O)N2CCNC(=O)C2)C1 ZINC000880558631 582269691 /nfs/dbraw/zinc/26/96/91/582269691.db2.gz VTPOHGXXOPOYNP-GFCCVEGCSA-N 1 2 285.300 -2.445 20 0 CAADLO COC(=O)[C@]1(O)CC[N@H+](CC(=O)N2CCNC(=O)C2)C1 ZINC000880558636 582269731 /nfs/dbraw/zinc/26/97/31/582269731.db2.gz VTPOHGXXOPOYNP-LBPRGKRZSA-N 1 2 285.300 -2.445 20 0 CAADLO COC(=O)[C@]1(O)CC[N@@H+](CC(=O)N2CCNC(=O)C2)C1 ZINC000880558636 582269732 /nfs/dbraw/zinc/26/97/32/582269732.db2.gz VTPOHGXXOPOYNP-LBPRGKRZSA-N 1 2 285.300 -2.445 20 0 CAADLO CCN1OC[C@@H]([N@@H+]2CC[C@](O)(C(=O)OC)C2)C1=O ZINC000880566978 582269868 /nfs/dbraw/zinc/26/98/68/582269868.db2.gz UJCXETWWROWEAN-LDYMZIIASA-N 1 2 258.274 -1.242 20 0 CAADLO CCN1OC[C@@H]([N@H+]2CC[C@](O)(C(=O)OC)C2)C1=O ZINC000880566978 582269869 /nfs/dbraw/zinc/26/98/69/582269869.db2.gz UJCXETWWROWEAN-LDYMZIIASA-N 1 2 258.274 -1.242 20 0 CAADLO CC(C)C[C@@H](C(N)=O)[N@H+](C)CC(=O)N1CCNC(=O)C1 ZINC000880588817 582269987 /nfs/dbraw/zinc/26/99/87/582269987.db2.gz XYCUPBLFAPYVJM-JTQLQIEISA-N 1 2 284.360 -1.223 20 0 CAADLO CC(C)C[C@@H](C(N)=O)[N@@H+](C)CC(=O)N1CCNC(=O)C1 ZINC000880588817 582269989 /nfs/dbraw/zinc/26/99/89/582269989.db2.gz XYCUPBLFAPYVJM-JTQLQIEISA-N 1 2 284.360 -1.223 20 0 CAADLO C[N@@H+]1CCOC[C@H]1CNC(=O)C[C@H]1CCNC1=O ZINC000880851310 582270106 /nfs/dbraw/zinc/27/01/06/582270106.db2.gz OGTROUZTPVASQN-NXEZZACHSA-N 1 2 255.318 -1.041 20 0 CAADLO C[N@H+]1CCOC[C@H]1CNC(=O)C[C@H]1CCNC1=O ZINC000880851310 582270107 /nfs/dbraw/zinc/27/01/07/582270107.db2.gz OGTROUZTPVASQN-NXEZZACHSA-N 1 2 255.318 -1.041 20 0 CAADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)C[C@H]1CCNC1=O ZINC000880851313 582270109 /nfs/dbraw/zinc/27/01/09/582270109.db2.gz OGTROUZTPVASQN-ZJUUUORDSA-N 1 2 255.318 -1.041 20 0 CAADLO C[N@H+]1CCOC[C@@H]1CNC(=O)C[C@H]1CCNC1=O ZINC000880851313 582270110 /nfs/dbraw/zinc/27/01/10/582270110.db2.gz OGTROUZTPVASQN-ZJUUUORDSA-N 1 2 255.318 -1.041 20 0 CAADLO Cn1c(CNC(=O)CC[NH+]2CCOCC2)n[nH]c1=O ZINC000880650010 582270117 /nfs/dbraw/zinc/27/01/17/582270117.db2.gz JFGZTOJGYPWJIN-UHFFFAOYSA-N 1 2 269.305 -1.141 20 0 CAADLO C[C@H]1C[N@H+](CCOC(=O)[C@H]2CNC(=O)N2)CCO1 ZINC000800165822 582273164 /nfs/dbraw/zinc/27/31/64/582273164.db2.gz REXFYQXRACLLRH-DTWKUNHWSA-N 1 2 257.290 -1.068 20 0 CAADLO C[C@H]1C[N@@H+](CCOC(=O)[C@H]2CNC(=O)N2)CCO1 ZINC000800165822 582273165 /nfs/dbraw/zinc/27/31/65/582273165.db2.gz REXFYQXRACLLRH-DTWKUNHWSA-N 1 2 257.290 -1.068 20 0 CAADLO C[C@@H]1C[N@H+](CCOC(=O)C[C@@H]2NC(=O)NC2=O)CCO1 ZINC000800192605 582273276 /nfs/dbraw/zinc/27/32/76/582273276.db2.gz FGQMJKYVOPAJSS-BDAKNGLRSA-N 1 2 285.300 -1.152 20 0 CAADLO C[C@@H]1C[N@@H+](CCOC(=O)C[C@@H]2NC(=O)NC2=O)CCO1 ZINC000800192605 582273277 /nfs/dbraw/zinc/27/32/77/582273277.db2.gz FGQMJKYVOPAJSS-BDAKNGLRSA-N 1 2 285.300 -1.152 20 0 CAADLO C[C@@H]1C[N@H+](CCOC(=O)Cn2ncn(C)c2=O)CCO1 ZINC000800195460 582273295 /nfs/dbraw/zinc/27/32/95/582273295.db2.gz ITJXEQVOKFOLOH-SNVBAGLBSA-N 1 2 284.316 -1.154 20 0 CAADLO C[C@@H]1C[N@@H+](CCOC(=O)Cn2ncn(C)c2=O)CCO1 ZINC000800195460 582273296 /nfs/dbraw/zinc/27/32/96/582273296.db2.gz ITJXEQVOKFOLOH-SNVBAGLBSA-N 1 2 284.316 -1.154 20 0 CAADLO COC(=O)N[C@H]1CC[N@H+](CN2C(=O)C(=O)N(C)C2=O)C1 ZINC000884485216 582275210 /nfs/dbraw/zinc/27/52/10/582275210.db2.gz QNROCOCMLKXSPB-ZETCQYMHSA-N 1 2 284.272 -1.205 20 0 CAADLO COC(=O)N[C@H]1CC[N@@H+](CN2C(=O)C(=O)N(C)C2=O)C1 ZINC000884485216 582275211 /nfs/dbraw/zinc/27/52/11/582275211.db2.gz QNROCOCMLKXSPB-ZETCQYMHSA-N 1 2 284.272 -1.205 20 0 CAADLO CN([C@@H]1COC[C@H]1O)S(=O)(=O)CCn1cc[nH+]c1 ZINC000885585505 582277360 /nfs/dbraw/zinc/27/73/60/582277360.db2.gz LLJSGUFYUSRFNY-NXEZZACHSA-N 1 2 275.330 -1.096 20 0 CAADLO CN([C@@H]1COC[C@H]1O)S(=O)(=O)C[C@@H]1C[N@H+](C)CCO1 ZINC000885586366 582277365 /nfs/dbraw/zinc/27/73/65/582277365.db2.gz ZPZQVJHSQJQWKW-HBNTYKKESA-N 1 2 294.373 -1.662 20 0 CAADLO CN([C@@H]1COC[C@H]1O)S(=O)(=O)C[C@@H]1C[N@@H+](C)CCO1 ZINC000885586366 582277367 /nfs/dbraw/zinc/27/73/67/582277367.db2.gz ZPZQVJHSQJQWKW-HBNTYKKESA-N 1 2 294.373 -1.662 20 0 CAADLO CCN1OC[C@@H]([NH+]2CCC(O)(COCCO)CC2)C1=O ZINC000886749547 582278942 /nfs/dbraw/zinc/27/89/42/582278942.db2.gz WJVCRLUJQMCMSK-LLVKDONJSA-N 1 2 288.344 -1.016 20 0 CAADLO COC(=O)Cn1cc(C[N@@H+]2CCN3CCOC[C@H]3C2)nn1 ZINC000887556381 582280878 /nfs/dbraw/zinc/28/08/78/582280878.db2.gz KZYYIYTVTYBMIQ-GFCCVEGCSA-N 1 2 295.343 -1.033 20 0 CAADLO COC(=O)Cn1cc(C[N@H+]2CCN3CCOC[C@H]3C2)nn1 ZINC000887556381 582280879 /nfs/dbraw/zinc/28/08/79/582280879.db2.gz KZYYIYTVTYBMIQ-GFCCVEGCSA-N 1 2 295.343 -1.033 20 0 CAADLO CN(C(=O)NC[C@@H]1COCC[N@@H+]1C)[C@@H]1COC[C@H]1O ZINC000889447549 582281424 /nfs/dbraw/zinc/28/14/24/582281424.db2.gz UUEJOEJQFPLZJE-GMTAPVOTSA-N 1 2 273.333 -1.282 20 0 CAADLO CN(C(=O)NC[C@@H]1COCC[N@H+]1C)[C@@H]1COC[C@H]1O ZINC000889447549 582281426 /nfs/dbraw/zinc/28/14/26/582281426.db2.gz UUEJOEJQFPLZJE-GMTAPVOTSA-N 1 2 273.333 -1.282 20 0 CAADLO Cn1c[nH+]c(CNC(=O)c2cn(C)c(=O)n(C)c2=O)c1 ZINC000890114127 582281588 /nfs/dbraw/zinc/28/15/88/582281588.db2.gz VDRSRJIWNWFMLF-UHFFFAOYSA-N 1 2 277.284 -1.253 20 0 CAADLO Cn1c[nH+]c(CNC(=O)CN2CCOCC2=O)c1 ZINC000890107628 582281681 /nfs/dbraw/zinc/28/16/81/582281681.db2.gz NTJCVCBAAXGGQN-UHFFFAOYSA-N 1 2 252.274 -1.105 20 0 CAADLO O=C(NC1(CCO)C[NH+](CCCO)C1)c1ccn[nH]1 ZINC001276028543 782186395 /nfs/dbraw/zinc/18/63/95/782186395.db2.gz YGUCBEWORCBQBW-UHFFFAOYSA-N 1 2 268.317 -1.041 20 0 CAADLO CC(=O)NC[C@H]1C[N@H+](CCS(C)(=O)=O)C[C@@H]1O ZINC000957780655 613928263 /nfs/dbraw/zinc/92/82/63/613928263.db2.gz VVAVLYFCRRWBHG-UWVGGRQHSA-N 1 2 264.347 -1.540 20 0 CAADLO CC(=O)NC[C@H]1C[N@@H+](CCS(C)(=O)=O)C[C@@H]1O ZINC000957780655 613928265 /nfs/dbraw/zinc/92/82/65/613928265.db2.gz VVAVLYFCRRWBHG-UWVGGRQHSA-N 1 2 264.347 -1.540 20 0 CAADLO NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1ncnn1)C2 ZINC001095419261 782186699 /nfs/dbraw/zinc/18/66/99/782186699.db2.gz XHBAMRPXYHMDKL-VGMNWLOBSA-N 1 2 279.304 -2.120 20 0 CAADLO NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1ncnn1)C2 ZINC001095419261 782186708 /nfs/dbraw/zinc/18/67/08/782186708.db2.gz XHBAMRPXYHMDKL-VGMNWLOBSA-N 1 2 279.304 -2.120 20 0 CAADLO CC(=O)N1CCN(C2C[NH+](CCN3CCNC3=O)C2)CC1 ZINC000941263508 613413637 /nfs/dbraw/zinc/41/36/37/613413637.db2.gz OZVJWGLZMYOVIA-UHFFFAOYSA-N 1 2 295.387 -1.140 20 0 CAADLO CC(=O)N1CC[C@@H](C(=O)N[C@@H](C)C2C[NH+](CC(N)=O)C2)C1 ZINC000970805861 613451012 /nfs/dbraw/zinc/45/10/12/613451012.db2.gz FYECWNOALWNFQL-GXSJLCMTSA-N 1 2 296.371 -1.223 20 0 CAADLO CC(=O)N1C[C@@H](NC(=O)Cc2[nH]cc[nH+]2)[C@@H](O)C1 ZINC000970080159 613658149 /nfs/dbraw/zinc/65/81/49/613658149.db2.gz YUFQEUYTVOROPO-BDAKNGLRSA-N 1 2 252.274 -1.340 20 0 CAADLO CC(=O)N1CC(C(=O)N[C@@H]2C[N@@H+](CC(N)=O)CC[C@@H]2C)C1 ZINC000965952420 613761695 /nfs/dbraw/zinc/76/16/95/613761695.db2.gz LVDZENPJLVSFFF-JOYOIKCWSA-N 1 2 296.371 -1.223 20 0 CAADLO CC(=O)N1CC(C(=O)N[C@@H]2C[N@H+](CC(N)=O)CC[C@@H]2C)C1 ZINC000965952420 613761698 /nfs/dbraw/zinc/76/16/98/613761698.db2.gz LVDZENPJLVSFFF-JOYOIKCWSA-N 1 2 296.371 -1.223 20 0 CAADLO CC(=O)N1CC(C(=O)N[C@@H]2C[N@@H+](CC(N)=O)CC[C@H]2C)C1 ZINC000965952418 613761803 /nfs/dbraw/zinc/76/18/03/613761803.db2.gz LVDZENPJLVSFFF-BXKDBHETSA-N 1 2 296.371 -1.223 20 0 CAADLO CC(=O)N1CC(C(=O)N[C@@H]2C[N@H+](CC(N)=O)CC[C@H]2C)C1 ZINC000965952418 613761806 /nfs/dbraw/zinc/76/18/06/613761806.db2.gz LVDZENPJLVSFFF-BXKDBHETSA-N 1 2 296.371 -1.223 20 0 CAADLO CC(=O)N1CC(C(=O)N[C@H]2C[N@@H+](CC(N)=O)CC[C@@H]2C)C1 ZINC000965952419 613762720 /nfs/dbraw/zinc/76/27/20/613762720.db2.gz LVDZENPJLVSFFF-CABZTGNLSA-N 1 2 296.371 -1.223 20 0 CAADLO CC(=O)N1CC(C(=O)N[C@H]2C[N@H+](CC(N)=O)CC[C@@H]2C)C1 ZINC000965952419 613762722 /nfs/dbraw/zinc/76/27/22/613762722.db2.gz LVDZENPJLVSFFF-CABZTGNLSA-N 1 2 296.371 -1.223 20 0 CAADLO CC(=O)N1CC(C(=O)N[C@H]2C[N@H+](CC(N)=O)CC2(C)C)C1 ZINC000974504308 613762928 /nfs/dbraw/zinc/76/29/28/613762928.db2.gz WUEDUEBYQMAVPI-NSHDSACASA-N 1 2 296.371 -1.223 20 0 CAADLO CC(=O)N1CC(C(=O)N[C@H]2C[N@@H+](CC(N)=O)CC2(C)C)C1 ZINC000974504308 613762930 /nfs/dbraw/zinc/76/29/30/613762930.db2.gz WUEDUEBYQMAVPI-NSHDSACASA-N 1 2 296.371 -1.223 20 0 CAADLO CC(=O)NC[C@H]1C[N@H+](Cc2nc(=O)n(C)[nH]2)C[C@@H]1O ZINC000957779895 613931347 /nfs/dbraw/zinc/93/13/47/613931347.db2.gz GTEQSKHMTDUUIK-IUCAKERBSA-N 1 2 269.305 -1.963 20 0 CAADLO CC(=O)NC[C@H]1C[N@@H+](Cc2nc(=O)n(C)[nH]2)C[C@@H]1O ZINC000957779895 613931349 /nfs/dbraw/zinc/93/13/49/613931349.db2.gz GTEQSKHMTDUUIK-IUCAKERBSA-N 1 2 269.305 -1.963 20 0 CAADLO CC(=O)NC[C@H]1COCCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000964049237 613934527 /nfs/dbraw/zinc/93/45/27/613934527.db2.gz POIZRCZWALEMRD-RYUDHWBXSA-N 1 2 285.344 -1.320 20 0 CAADLO CC(=O)NC[C@H]1COCCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000964049237 613934530 /nfs/dbraw/zinc/93/45/30/613934530.db2.gz POIZRCZWALEMRD-RYUDHWBXSA-N 1 2 285.344 -1.320 20 0 CAADLO CC(=O)N[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@@H]1O ZINC000961073588 614032812 /nfs/dbraw/zinc/03/28/12/614032812.db2.gz JXHFSWDPRKDSOS-MNOVXSKESA-N 1 2 266.301 -1.019 20 0 CAADLO CC(=O)N[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1O ZINC000961067279 614035204 /nfs/dbraw/zinc/03/52/04/614035204.db2.gz HZABMDNQYNRVSE-BDAKNGLRSA-N 1 2 252.274 -1.340 20 0 CAADLO CC(=O)N[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@@H]1O ZINC000961070132 614035252 /nfs/dbraw/zinc/03/52/52/614035252.db2.gz KGBUNSSENBDGKM-MNOVXSKESA-N 1 2 266.301 -1.330 20 0 CAADLO CC(=O)N[C@H]1C[N@H+](CC(=O)N2CCNC(=O)C2)CC1(C)C ZINC000972719568 614168883 /nfs/dbraw/zinc/16/88/83/614168883.db2.gz XVVOKFDHYPXOKS-NSHDSACASA-N 1 2 296.371 -1.209 20 0 CAADLO CC(=O)N[C@H]1C[N@@H+](CC(=O)N2CCNC(=O)C2)CC1(C)C ZINC000972719568 614168884 /nfs/dbraw/zinc/16/88/84/614168884.db2.gz XVVOKFDHYPXOKS-NSHDSACASA-N 1 2 296.371 -1.209 20 0 CAADLO CCCCn1nnnc1C[NH2+][C@@H]1CCN(C(=O)C(N)=O)C1 ZINC000969785553 614496183 /nfs/dbraw/zinc/49/61/83/614496183.db2.gz NBDLPEUSUHJJCE-SECBINFHSA-N 1 2 295.347 -1.351 20 0 CAADLO CC1(C)C[N@H+](CC(=O)N2CCC2)C[C@H]1NC(=O)C(N)=O ZINC000974986002 614610614 /nfs/dbraw/zinc/61/06/14/614610614.db2.gz PYGVTIRXESZNJB-SECBINFHSA-N 1 2 282.344 -1.469 20 0 CAADLO CC1(C)C[N@@H+](CC(=O)N2CCC2)C[C@H]1NC(=O)C(N)=O ZINC000974986002 614610616 /nfs/dbraw/zinc/61/06/16/614610616.db2.gz PYGVTIRXESZNJB-SECBINFHSA-N 1 2 282.344 -1.469 20 0 CAADLO CC1(C)C[N@H+](CC(N)=O)C[C@@H]1NC(=O)CN1CCCC1=O ZINC000972793428 614613986 /nfs/dbraw/zinc/61/39/86/614613986.db2.gz IISKUBSVVNYVEA-JTQLQIEISA-N 1 2 296.371 -1.079 20 0 CAADLO CC1(C)C[N@@H+](CC(N)=O)C[C@@H]1NC(=O)CN1CCCC1=O ZINC000972793428 614613989 /nfs/dbraw/zinc/61/39/89/614613989.db2.gz IISKUBSVVNYVEA-JTQLQIEISA-N 1 2 296.371 -1.079 20 0 CAADLO CC1(C)C[N@H+](CC(N)=O)C[C@@H]1NC(=O)[C@@]1(C)CNC(=O)C1 ZINC000974870457 614614629 /nfs/dbraw/zinc/61/46/29/614614629.db2.gz VGATVXLLAVBCRO-LKFCYVNXSA-N 1 2 296.371 -1.176 20 0 CAADLO CC1(C)C[N@@H+](CC(N)=O)C[C@@H]1NC(=O)[C@@]1(C)CNC(=O)C1 ZINC000974870457 614614631 /nfs/dbraw/zinc/61/46/31/614614631.db2.gz VGATVXLLAVBCRO-LKFCYVNXSA-N 1 2 296.371 -1.176 20 0 CAADLO CC1(C)C[N@H+](CC(N)=O)C[C@@H]1NC(=O)[C@@H]1CNC(=O)N1 ZINC000974993840 614614643 /nfs/dbraw/zinc/61/46/43/614614643.db2.gz JCAVZXBNLFZSNF-YUMQZZPRSA-N 1 2 283.332 -2.020 20 0 CAADLO CC1(C)C[N@@H+](CC(N)=O)C[C@@H]1NC(=O)[C@@H]1CNC(=O)N1 ZINC000974993840 614614644 /nfs/dbraw/zinc/61/46/44/614614644.db2.gz JCAVZXBNLFZSNF-YUMQZZPRSA-N 1 2 283.332 -2.020 20 0 CAADLO CC1(C)C[N@H+](CC(N)=O)C[C@@H]1NC(=O)[C@@H]1COC(=O)N1 ZINC000974536905 614614868 /nfs/dbraw/zinc/61/48/68/614614868.db2.gz LFABBEGACRZTEQ-YUMQZZPRSA-N 1 2 284.316 -1.593 20 0 CAADLO CC1(C)C[N@@H+](CC(N)=O)C[C@@H]1NC(=O)[C@@H]1COC(=O)N1 ZINC000974536905 614614873 /nfs/dbraw/zinc/61/48/73/614614873.db2.gz LFABBEGACRZTEQ-YUMQZZPRSA-N 1 2 284.316 -1.593 20 0 CAADLO CC1(C)C[N@H+](CC(N)=O)C[C@@H]1NC(=O)[C@@H]1CCC(=O)N1 ZINC000977490182 614614978 /nfs/dbraw/zinc/61/49/78/614614978.db2.gz YKFXVOSTDGSZGA-IUCAKERBSA-N 1 2 282.344 -1.423 20 0 CAADLO CC1(C)C[N@@H+](CC(N)=O)C[C@@H]1NC(=O)[C@@H]1CCC(=O)N1 ZINC000977490182 614614980 /nfs/dbraw/zinc/61/49/80/614614980.db2.gz YKFXVOSTDGSZGA-IUCAKERBSA-N 1 2 282.344 -1.423 20 0 CAADLO CC1(C)C[N@H+](CC(N)=O)C[C@@H]1NC(=O)[C@H]1CCNC(=O)C1 ZINC000973015106 614614991 /nfs/dbraw/zinc/61/49/91/614614991.db2.gz GJNNXPZLLUGROZ-UWVGGRQHSA-N 1 2 296.371 -1.176 20 0 CAADLO CC1(C)C[N@@H+](CC(N)=O)C[C@@H]1NC(=O)[C@H]1CCNC(=O)C1 ZINC000973015106 614614993 /nfs/dbraw/zinc/61/49/93/614614993.db2.gz GJNNXPZLLUGROZ-UWVGGRQHSA-N 1 2 296.371 -1.176 20 0 CAADLO CC1(C)C[N@H+](CC(N)=O)C[C@@H]1NC(=O)[C@H]1CNC(=O)N1 ZINC000974993839 614615178 /nfs/dbraw/zinc/61/51/78/614615178.db2.gz JCAVZXBNLFZSNF-SFYZADRCSA-N 1 2 283.332 -2.020 20 0 CAADLO CC1(C)C[N@@H+](CC(N)=O)C[C@@H]1NC(=O)[C@H]1CNC(=O)N1 ZINC000974993839 614615182 /nfs/dbraw/zinc/61/51/82/614615182.db2.gz JCAVZXBNLFZSNF-SFYZADRCSA-N 1 2 283.332 -2.020 20 0 CAADLO CC1(C)C[N@H+](CC(N)=O)C[C@@H]1NC(=O)Cn1cnnn1 ZINC000972795333 614615299 /nfs/dbraw/zinc/61/52/99/614615299.db2.gz ZYCJGVVMDIJTJG-QMMMGPOBSA-N 1 2 281.320 -2.015 20 0 CAADLO CC1(C)C[N@@H+](CC(N)=O)C[C@@H]1NC(=O)Cn1cnnn1 ZINC000972795333 614615301 /nfs/dbraw/zinc/61/53/01/614615301.db2.gz ZYCJGVVMDIJTJG-QMMMGPOBSA-N 1 2 281.320 -2.015 20 0 CAADLO CC1(C)C[N@H+](CC(N)=O)C[C@@H]1NC(=O)[C@H]1C[C@H]1C(N)=O ZINC000975062064 614615931 /nfs/dbraw/zinc/61/59/31/614615931.db2.gz FXUBGNPVLIJUOC-VGMNWLOBSA-N 1 2 282.344 -1.580 20 0 CAADLO CC1(C)C[N@@H+](CC(N)=O)C[C@@H]1NC(=O)[C@H]1C[C@H]1C(N)=O ZINC000975062064 614615932 /nfs/dbraw/zinc/61/59/32/614615932.db2.gz FXUBGNPVLIJUOC-VGMNWLOBSA-N 1 2 282.344 -1.580 20 0 CAADLO CC1(C)C[N@H+](CC(N)=O)C[C@H]1NC(=O)Cn1nccn1 ZINC000974630873 614616783 /nfs/dbraw/zinc/61/67/83/614616783.db2.gz JBQMNGAZNYRDHE-SECBINFHSA-N 1 2 280.332 -1.410 20 0 CAADLO CC1(C)C[N@@H+](CC(N)=O)C[C@H]1NC(=O)Cn1nccn1 ZINC000974630873 614616787 /nfs/dbraw/zinc/61/67/87/614616787.db2.gz JBQMNGAZNYRDHE-SECBINFHSA-N 1 2 280.332 -1.410 20 0 CAADLO CC1(C)C[N@H+](CC(N)=O)C[C@H]1NC(=O)C[C@H]1CCC(=O)N1 ZINC000977354831 614616884 /nfs/dbraw/zinc/61/68/84/614616884.db2.gz ZZPXELBTPHLBOJ-NXEZZACHSA-N 1 2 296.371 -1.033 20 0 CAADLO CC1(C)C[N@@H+](CC(N)=O)C[C@H]1NC(=O)C[C@H]1CCC(=O)N1 ZINC000977354831 614616888 /nfs/dbraw/zinc/61/68/88/614616888.db2.gz ZZPXELBTPHLBOJ-NXEZZACHSA-N 1 2 296.371 -1.033 20 0 CAADLO CC1(C)C[N@H+](CC(N)=O)C[C@H]1NC(=O)Cc1nc[nH]n1 ZINC000977489169 614617013 /nfs/dbraw/zinc/61/70/13/614617013.db2.gz UGMUTEJFGIGTIB-MRVPVSSYSA-N 1 2 280.332 -1.341 20 0 CAADLO CC1(C)C[N@@H+](CC(N)=O)C[C@H]1NC(=O)Cc1nc[nH]n1 ZINC000977489169 614617016 /nfs/dbraw/zinc/61/70/16/614617016.db2.gz UGMUTEJFGIGTIB-MRVPVSSYSA-N 1 2 280.332 -1.341 20 0 CAADLO CC1(C)C[N@H+](CC(N)=O)C[C@H]1NC(=O)[C@@H]1COCCO1 ZINC000972816295 614617138 /nfs/dbraw/zinc/61/71/38/614617138.db2.gz ANGGGWJIVMFAEO-VHSXEESVSA-N 1 2 285.344 -1.286 20 0 CAADLO CC1(C)C[N@@H+](CC(N)=O)C[C@H]1NC(=O)[C@@H]1COCCO1 ZINC000972816295 614617142 /nfs/dbraw/zinc/61/71/42/614617142.db2.gz ANGGGWJIVMFAEO-VHSXEESVSA-N 1 2 285.344 -1.286 20 0 CAADLO CC1(C)C[N@H+](CC(N)=O)C[C@H]1NC(=O)[C@H]1COCCO1 ZINC000972816285 614617548 /nfs/dbraw/zinc/61/75/48/614617548.db2.gz ANGGGWJIVMFAEO-NXEZZACHSA-N 1 2 285.344 -1.286 20 0 CAADLO CC1(C)C[N@@H+](CC(N)=O)C[C@H]1NC(=O)[C@H]1COCCO1 ZINC000972816285 614617553 /nfs/dbraw/zinc/61/75/53/614617553.db2.gz ANGGGWJIVMFAEO-NXEZZACHSA-N 1 2 285.344 -1.286 20 0 CAADLO CC1(C)C[N@H+](CC(N)=O)C[C@H]1NC(=O)[C@H]1CCCC(=O)N1 ZINC000974716079 614617982 /nfs/dbraw/zinc/61/79/82/614617982.db2.gz JOCSTASBPAEMQJ-NXEZZACHSA-N 1 2 296.371 -1.033 20 0 CAADLO CC1(C)C[N@@H+](CC(N)=O)C[C@H]1NC(=O)[C@H]1CCCC(=O)N1 ZINC000974716079 614617984 /nfs/dbraw/zinc/61/79/84/614617984.db2.gz JOCSTASBPAEMQJ-NXEZZACHSA-N 1 2 296.371 -1.033 20 0 CAADLO CC1(C)C[N@H+](CC(N)=O)C[C@H]1NC(=O)[C@H]1CCNC(=O)C1 ZINC000973015107 614618017 /nfs/dbraw/zinc/61/80/17/614618017.db2.gz GJNNXPZLLUGROZ-VHSXEESVSA-N 1 2 296.371 -1.176 20 0 CAADLO CC1(C)C[N@@H+](CC(N)=O)C[C@H]1NC(=O)[C@H]1CCNC(=O)C1 ZINC000973015107 614618018 /nfs/dbraw/zinc/61/80/18/614618018.db2.gz GJNNXPZLLUGROZ-VHSXEESVSA-N 1 2 296.371 -1.176 20 0 CAADLO CC1(C)C[N@H+](CC(N)=O)C[C@H]1NC(=O)[C@]1(C)CCC(=O)N1 ZINC000975005755 614618042 /nfs/dbraw/zinc/61/80/42/614618042.db2.gz WRLFPBVHFDKQEY-OTYXRUKQSA-N 1 2 296.371 -1.033 20 0 CAADLO CC1(C)C[N@@H+](CC(N)=O)C[C@H]1NC(=O)[C@]1(C)CCC(=O)N1 ZINC000975005755 614618044 /nfs/dbraw/zinc/61/80/44/614618044.db2.gz WRLFPBVHFDKQEY-OTYXRUKQSA-N 1 2 296.371 -1.033 20 0 CAADLO CCN(C(=O)[C@@H]1CCS(=O)(=O)N1)C1C[NH+](CCO)C1 ZINC000957404922 614631929 /nfs/dbraw/zinc/63/19/29/614631929.db2.gz VTOBKPLIERMZQY-JTQLQIEISA-N 1 2 291.373 -1.797 20 0 CAADLO CCN(C(=O)[C@@H]1C[N@H+](C)CCO1)C1CN(CCO)C1 ZINC000949830567 614635663 /nfs/dbraw/zinc/63/56/63/614635663.db2.gz RDTPJRJFGPTKPB-LBPRGKRZSA-N 1 2 271.361 -1.158 20 0 CAADLO CCN(C(=O)[C@@H]1C[N@@H+](C)CCO1)C1CN(CCO)C1 ZINC000949830567 614635665 /nfs/dbraw/zinc/63/56/65/614635665.db2.gz RDTPJRJFGPTKPB-LBPRGKRZSA-N 1 2 271.361 -1.158 20 0 CAADLO CCN(C(=O)[C@@H]1C[N@H+](C)CCO1)C1CN(CC(=O)NC)C1 ZINC000949830250 614635818 /nfs/dbraw/zinc/63/58/18/614635818.db2.gz HAMMWBBTTRQBJP-LBPRGKRZSA-N 1 2 298.387 -1.404 20 0 CAADLO CCN(C(=O)[C@@H]1C[N@@H+](C)CCO1)C1CN(CC(=O)NC)C1 ZINC000949830250 614635819 /nfs/dbraw/zinc/63/58/19/614635819.db2.gz HAMMWBBTTRQBJP-LBPRGKRZSA-N 1 2 298.387 -1.404 20 0 CAADLO CCN(C(=O)[C@H]1CC(=O)N(C)C1)C1C[NH+](CCO)C1 ZINC000950462223 614659501 /nfs/dbraw/zinc/65/95/01/614659501.db2.gz CAYDBLVHOMVNBX-JTQLQIEISA-N 1 2 269.345 -1.010 20 0 CAADLO CCN(C(=O)[C@H]1CCC(=O)N1)C1C[NH+](CCO)C1 ZINC000949793429 614664670 /nfs/dbraw/zinc/66/46/70/614664670.db2.gz BITTYQWXAUNZFW-SNVBAGLBSA-N 1 2 255.318 -1.210 20 0 CAADLO CCN(C(=O)[C@H]1CC[C@@H](C(N)=O)O1)C1C[NH+](C[C@H](C)O)C1 ZINC000951745910 614681359 /nfs/dbraw/zinc/68/13/59/614681359.db2.gz NXAPZOYIFPWTHT-ZMLRMANQSA-N 1 2 299.371 -1.067 20 0 CAADLO CCN(C(=O)[C@H]1CC[C@@H](C(N)=O)O1)C1C[NH+](CCCO)C1 ZINC000951743186 614681540 /nfs/dbraw/zinc/68/15/40/614681540.db2.gz KPZUSJAMJMPTOW-NWDGAFQWSA-N 1 2 299.371 -1.066 20 0 CAADLO CC1(C)C[N@@H+]([C@H]2CCNC2=O)C[C@@H]1NC(=O)C(N)=O ZINC000974999819 614682983 /nfs/dbraw/zinc/68/29/83/614682983.db2.gz VTDGOVBUCBFPQO-YUMQZZPRSA-N 1 2 268.317 -1.813 20 0 CAADLO CC1(C)C[N@H+]([C@H]2CCNC2=O)C[C@@H]1NC(=O)C(N)=O ZINC000974999819 614682986 /nfs/dbraw/zinc/68/29/86/614682986.db2.gz VTDGOVBUCBFPQO-YUMQZZPRSA-N 1 2 268.317 -1.813 20 0 CAADLO CCN(C(=O)[C@H]1C[N@H+](C)CCO1)C1CN(CC(N)=O)C1 ZINC000949830393 614684239 /nfs/dbraw/zinc/68/42/39/614684239.db2.gz LVQFXAWEFVYQRS-LLVKDONJSA-N 1 2 284.360 -1.665 20 0 CAADLO CCN(C(=O)[C@H]1C[N@@H+](C)CCO1)C1CN(CC(N)=O)C1 ZINC000949830393 614684240 /nfs/dbraw/zinc/68/42/40/614684240.db2.gz LVQFXAWEFVYQRS-LLVKDONJSA-N 1 2 284.360 -1.665 20 0 CAADLO CCN(C(=O)[C@H]1CN(C(C)=O)CCO1)C1C[NH+](CCO)C1 ZINC000957343348 614684315 /nfs/dbraw/zinc/68/43/15/614684315.db2.gz IGWBJQOMYRUQTJ-CYBMUJFWSA-N 1 2 299.371 -1.241 20 0 CAADLO CCN(C(=O)[C@H]1C[N@H+](C)CCO1)C1CN(C(=O)C(N)=O)C1 ZINC000967852060 614684473 /nfs/dbraw/zinc/68/44/73/614684473.db2.gz NIZRDBWAPCTOCG-SNVBAGLBSA-N 1 2 298.343 -2.138 20 0 CAADLO CCN(C(=O)[C@H]1C[N@@H+](C)CCO1)C1CN(C(=O)C(N)=O)C1 ZINC000967852060 614684475 /nfs/dbraw/zinc/68/44/75/614684475.db2.gz NIZRDBWAPCTOCG-SNVBAGLBSA-N 1 2 298.343 -2.138 20 0 CAADLO CCN(C(=O)[C@H]1COC(=O)N1)C1C[NH+](CCO)C1 ZINC000950005203 614685949 /nfs/dbraw/zinc/68/59/49/614685949.db2.gz KJCQRMFTFFAIMC-SECBINFHSA-N 1 2 257.290 -1.380 20 0 CAADLO CCN(C(=O)c1cn(C)c(=O)[nH]c1=O)C1C[NH+](CCO)C1 ZINC000957380752 614759445 /nfs/dbraw/zinc/75/94/45/614759445.db2.gz PURGBIZLZJZRNT-UHFFFAOYSA-N 1 2 296.327 -1.376 20 0 CAADLO CCN(C(=O)c1cn(C)nn1)C1C[NH+](CCO)C1 ZINC000950008238 614761362 /nfs/dbraw/zinc/76/13/62/614761362.db2.gz ZMCVLGUCLPEXGL-UHFFFAOYSA-N 1 2 253.306 -1.046 20 0 CAADLO CCC(=O)N1C[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H](O)C1 ZINC000968456746 614815304 /nfs/dbraw/zinc/81/53/04/614815304.db2.gz ZHQYZYBIZXRRRR-ZJUUUORDSA-N 1 2 266.301 -1.019 20 0 CAADLO CCC(=O)N[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1O ZINC000961051660 614926434 /nfs/dbraw/zinc/92/64/34/614926434.db2.gz XSBLBWZUCIHPBT-ZJUUUORDSA-N 1 2 266.301 -1.019 20 0 CAADLO CCN1CCOC[C@@H]1C(=O)N[C@@H](C)C1C[NH+](CC(N)=O)C1 ZINC000970000967 615165812 /nfs/dbraw/zinc/16/58/12/615165812.db2.gz OPWUWOAIVZUCRI-CMPLNLGQSA-N 1 2 298.387 -1.371 20 0 CAADLO CCN1C[C@@H](C(=O)N[C@H](C)C2C[NH+](CC(N)=O)C2)CC1=O ZINC000969799215 615335763 /nfs/dbraw/zinc/33/57/63/615335763.db2.gz VIRMOJKWHWYMKN-ZJUUUORDSA-N 1 2 296.371 -1.223 20 0 CAADLO CCN1C[C@@H](C(=O)N[C@@H](C)C2C[NH+](CC(N)=O)C2)CC1=O ZINC000969799212 615335993 /nfs/dbraw/zinc/33/59/93/615335993.db2.gz VIRMOJKWHWYMKN-UWVGGRQHSA-N 1 2 296.371 -1.223 20 0 CAADLO CCn1ncc(C(=O)N[C@H](C)C2C[NH+](CC(N)=O)C2)n1 ZINC000969623228 615690318 /nfs/dbraw/zinc/69/03/18/615690318.db2.gz GCADZDRGEMAWCV-MRVPVSSYSA-N 1 2 280.332 -1.167 20 0 CAADLO CCn1ncc(C[NH2+][C@@H]2CCN(C(=O)C(N)=O)C2)n1 ZINC000969776978 615710427 /nfs/dbraw/zinc/71/04/27/615710427.db2.gz IRENILCFIVVBQS-MRVPVSSYSA-N 1 2 266.305 -1.526 20 0 CAADLO CCn1ncnc1C[NH2+][C@@H]1CCN(C(=O)C(N)=O)C1 ZINC000969778496 615737030 /nfs/dbraw/zinc/73/70/30/615737030.db2.gz YSAUAVSUWQMHRK-MRVPVSSYSA-N 1 2 266.305 -1.526 20 0 CAADLO CN(C(=O)C(N)=O)C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC000954292538 615773828 /nfs/dbraw/zinc/77/38/28/615773828.db2.gz RGUROQFYZHZSDJ-UHFFFAOYSA-N 1 2 293.327 -1.182 20 0 CAADLO CN(C(=O)C(N)=O)C1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC000955159439 615774159 /nfs/dbraw/zinc/77/41/59/615774159.db2.gz BRFQIVXAZYKZCT-UHFFFAOYSA-N 1 2 293.327 -1.158 20 0 CAADLO CN(C(=O)C(N)=O)C1CN(C(=O)Cc2c[nH+]cn2C)C1 ZINC000955159756 615774597 /nfs/dbraw/zinc/77/45/97/615774597.db2.gz ICOKTLCAWQWBRC-UHFFFAOYSA-N 1 2 279.300 -1.883 20 0 CAADLO CN(C(=O)C(N)=O)C1CN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000955161360 615774752 /nfs/dbraw/zinc/77/47/52/615774752.db2.gz IMWCVHKCFRMCBQ-UHFFFAOYSA-N 1 2 265.273 -1.893 20 0 CAADLO CN(C(=O)C(N)=O)C1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000955163833 615774977 /nfs/dbraw/zinc/77/49/77/615774977.db2.gz NZVTXRUJKDNLQW-RKDXNWHRSA-N 1 2 291.311 -1.332 20 0 CAADLO CN(C(=O)C(N)=O)C1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC000955163833 615774978 /nfs/dbraw/zinc/77/49/78/615774978.db2.gz NZVTXRUJKDNLQW-RKDXNWHRSA-N 1 2 291.311 -1.332 20 0 CAADLO CN(C(=O)C(N)=O)[C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000984565925 615776005 /nfs/dbraw/zinc/77/60/05/615776005.db2.gz HETPXHOFKUOVKU-SECBINFHSA-N 1 2 293.327 -1.113 20 0 CAADLO CN(C(=O)C(N)=O)[C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC000938941046 615776710 /nfs/dbraw/zinc/77/67/10/615776710.db2.gz RQATUGFTEHWANB-SNVBAGLBSA-N 1 2 293.327 -1.182 20 0 CAADLO CN(C(=O)C(N)=O)[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000939306021 615777446 /nfs/dbraw/zinc/77/74/46/615777446.db2.gz DVLFWEUXOWADPS-MRVPVSSYSA-N 1 2 279.300 -1.503 20 0 CAADLO CN(C(=O)C(N)=O)[C@H]1CCC[N@H+](Cc2nnnn2C)CC1 ZINC000948734163 615779339 /nfs/dbraw/zinc/77/93/39/615779339.db2.gz PQEMDCZOHVKRNL-VIFPVBQESA-N 1 2 295.347 -1.492 20 0 CAADLO CN(C(=O)C(N)=O)[C@H]1CCC[N@@H+](Cc2nnnn2C)CC1 ZINC000948734163 615779340 /nfs/dbraw/zinc/77/93/40/615779340.db2.gz PQEMDCZOHVKRNL-VIFPVBQESA-N 1 2 295.347 -1.492 20 0 CAADLO CN(C(=O)C(N)=O)[C@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000937260268 615779566 /nfs/dbraw/zinc/77/95/66/615779566.db2.gz UPWYJYFMYOYVQX-VIFPVBQESA-N 1 2 293.327 -1.113 20 0 CAADLO CN(C(=O)C(N)=O)[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1O ZINC000958942428 615780604 /nfs/dbraw/zinc/78/06/04/615780604.db2.gz YBCFGBWNLWXRSY-YUMQZZPRSA-N 1 2 295.299 -2.532 20 0 CAADLO CN(C(=O)C(N)=O)[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1O ZINC000958943341 615780745 /nfs/dbraw/zinc/78/07/45/615780745.db2.gz OJVPTUWOHRWZGP-IUCAKERBSA-N 1 2 295.299 -2.532 20 0 CAADLO CCc1nnc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C(N)=O)n1C ZINC000961643400 615811414 /nfs/dbraw/zinc/81/14/14/615811414.db2.gz WKVYRDLRNQDLHO-VROVMSAKSA-N 1 2 292.343 -1.591 20 0 CAADLO CCc1nnc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C(N)=O)n1C ZINC000961643400 615811415 /nfs/dbraw/zinc/81/14/15/615811415.db2.gz WKVYRDLRNQDLHO-VROVMSAKSA-N 1 2 292.343 -1.591 20 0 CAADLO CN(C(=O)Cc1c[nH+]cn1C)C1CN(C(=O)C(N)=O)C1 ZINC000954837636 615827664 /nfs/dbraw/zinc/82/76/64/615827664.db2.gz SHDNPIGMYYVPGU-UHFFFAOYSA-N 1 2 279.300 -1.883 20 0 CAADLO CN(C(=O)Cc1c[nH+]c[nH]1)[C@H]1CN(C(=O)C(N)=O)C[C@@H]1O ZINC000958978555 615827862 /nfs/dbraw/zinc/82/78/62/615827862.db2.gz FROZOAOBPZAFFG-IUCAKERBSA-N 1 2 295.299 -2.532 20 0 CAADLO CN(C(=O)Cc1[nH]cc[nH+]1)C1CN(C(=O)CC(N)=O)C1 ZINC000955112599 615829217 /nfs/dbraw/zinc/82/92/17/615829217.db2.gz ZFQFZOQHUAVMIH-UHFFFAOYSA-N 1 2 279.300 -1.503 20 0 CAADLO CN(C(=O)Cc1[nH]cc[nH+]1)[C@H]1CCN(C(=O)CC(N)=O)C1 ZINC000936957425 615829532 /nfs/dbraw/zinc/82/95/32/615829532.db2.gz ZYYMKUJLWZBRIT-VIFPVBQESA-N 1 2 293.327 -1.113 20 0 CAADLO CN(C(=O)Cn1cc[nH+]c1)[C@@H]1CCCN(C(=O)C(N)=O)C1 ZINC000984576052 615830331 /nfs/dbraw/zinc/83/03/31/615830331.db2.gz FRIIKWNHPWMJHP-SNVBAGLBSA-N 1 2 293.327 -1.182 20 0 CAADLO CN(C(=O)Cn1cc[nH+]c1)[C@@H]1CCN(C(=O)CC(N)=O)C1 ZINC000936959111 615830817 /nfs/dbraw/zinc/83/08/17/615830817.db2.gz VGMNWNINQVJXGK-SNVBAGLBSA-N 1 2 293.327 -1.182 20 0 CAADLO CN(C(=O)Cn1cc[nH+]c1)[C@H]1CCN(C(=O)CC(N)=O)C1 ZINC000936959110 615830829 /nfs/dbraw/zinc/83/08/29/615830829.db2.gz VGMNWNINQVJXGK-JTQLQIEISA-N 1 2 293.327 -1.182 20 0 CAADLO CCn1c(C)nnc1C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(N)=O ZINC000961635238 615921270 /nfs/dbraw/zinc/92/12/70/615921270.db2.gz DXIBRULWQDAQHQ-JZYVYDRUSA-N 1 2 292.343 -1.362 20 0 CAADLO CCn1c(C)nnc1C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(N)=O ZINC000961635238 615921271 /nfs/dbraw/zinc/92/12/71/615921271.db2.gz DXIBRULWQDAQHQ-JZYVYDRUSA-N 1 2 292.343 -1.362 20 0 CAADLO CCn1cc(C(=O)N[C@H](C)C2C[NH+](CC(N)=O)C2)nn1 ZINC000970659043 615956878 /nfs/dbraw/zinc/95/68/78/615956878.db2.gz JELYFLCAYXZVEX-MRVPVSSYSA-N 1 2 280.332 -1.167 20 0 CAADLO CN(C)C(=O)C[N@@H+]1CCCN(C(=O)C2(C(N)=O)CC2)CC1 ZINC000981865248 615961034 /nfs/dbraw/zinc/96/10/34/615961034.db2.gz QQTXDRBUHVOKSO-UHFFFAOYSA-N 1 2 296.371 -1.126 20 0 CAADLO CN(C)C(=O)C[N@H+]1CCCN(C(=O)C2(C(N)=O)CC2)CC1 ZINC000981865248 615961037 /nfs/dbraw/zinc/96/10/37/615961037.db2.gz QQTXDRBUHVOKSO-UHFFFAOYSA-N 1 2 296.371 -1.126 20 0 CAADLO CN(C)C(=O)C[N@@H+]1CCCN(C(=O)Cn2nccn2)CC1 ZINC000981249050 615961673 /nfs/dbraw/zinc/96/16/73/615961673.db2.gz LSLXQRXSLBXPCW-UHFFFAOYSA-N 1 2 294.359 -1.099 20 0 CAADLO CN(C)C(=O)C[N@H+]1CCCN(C(=O)Cn2nccn2)CC1 ZINC000981249050 615961676 /nfs/dbraw/zinc/96/16/76/615961676.db2.gz LSLXQRXSLBXPCW-UHFFFAOYSA-N 1 2 294.359 -1.099 20 0 CAADLO CN(C)C(=O)C[N@@H+]1CCCN(C(=O)Cn2cnnn2)CC1 ZINC000980677050 615961792 /nfs/dbraw/zinc/96/17/92/615961792.db2.gz FQODQIWMLILBJH-UHFFFAOYSA-N 1 2 295.347 -1.704 20 0 CAADLO CN(C)C(=O)C[N@H+]1CCCN(C(=O)Cn2cnnn2)CC1 ZINC000980677050 615961793 /nfs/dbraw/zinc/96/17/93/615961793.db2.gz FQODQIWMLILBJH-UHFFFAOYSA-N 1 2 295.347 -1.704 20 0 CAADLO CN(C)C(=O)C[N@@H+]1CCCN(C(=O)c2nnn(C)n2)CC1 ZINC000981777913 615961828 /nfs/dbraw/zinc/96/18/28/615961828.db2.gz UIYDVEPDIHVBFU-UHFFFAOYSA-N 1 2 295.347 -1.554 20 0 CAADLO CN(C)C(=O)C[N@H+]1CCCN(C(=O)c2nnn(C)n2)CC1 ZINC000981777913 615961830 /nfs/dbraw/zinc/96/18/30/615961830.db2.gz UIYDVEPDIHVBFU-UHFFFAOYSA-N 1 2 295.347 -1.554 20 0 CAADLO CN(C)C(=O)C[N@@H+]1C[C@@H](NC(=O)C(N)=O)C(C)(C)C1 ZINC000974984952 615963238 /nfs/dbraw/zinc/96/32/38/615963238.db2.gz ORSQKGARQLMMKS-MRVPVSSYSA-N 1 2 270.333 -1.614 20 0 CAADLO CN(C)C(=O)C[N@H+]1C[C@@H](NC(=O)C(N)=O)C(C)(C)C1 ZINC000974984952 615963240 /nfs/dbraw/zinc/96/32/40/615963240.db2.gz ORSQKGARQLMMKS-MRVPVSSYSA-N 1 2 270.333 -1.614 20 0 CAADLO CN(C)C(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1nnc[nH]1 ZINC000962252894 615965087 /nfs/dbraw/zinc/96/50/87/615965087.db2.gz QWOYOSKWDYBQOZ-WOFXILAISA-N 1 2 292.343 -1.518 20 0 CAADLO CN(C)C(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1nnc[nH]1 ZINC000962252894 615965088 /nfs/dbraw/zinc/96/50/88/615965088.db2.gz QWOYOSKWDYBQOZ-WOFXILAISA-N 1 2 292.343 -1.518 20 0 CAADLO CCn1cc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C(N)=O)nn1 ZINC000961653734 615991822 /nfs/dbraw/zinc/99/18/22/615991822.db2.gz DDNIHPMOABUZKR-MYJAWHEDSA-N 1 2 278.316 -1.670 20 0 CAADLO CCn1cc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C(N)=O)nn1 ZINC000961653734 615991824 /nfs/dbraw/zinc/99/18/24/615991824.db2.gz DDNIHPMOABUZKR-MYJAWHEDSA-N 1 2 278.316 -1.670 20 0 CAADLO C[N@H+](CC(N)=O)[C@H]1CCN(C(=O)CCc2nnc[nH]2)C1 ZINC000971299913 616055029 /nfs/dbraw/zinc/05/50/29/616055029.db2.gz FSGTZHJYKQNFRK-VIFPVBQESA-N 1 2 280.332 -1.245 20 0 CAADLO C[N@@H+](CC(N)=O)[C@H]1CCN(C(=O)CCc2nnc[nH]2)C1 ZINC000971299913 616055030 /nfs/dbraw/zinc/05/50/30/616055030.db2.gz FSGTZHJYKQNFRK-VIFPVBQESA-N 1 2 280.332 -1.245 20 0 CAADLO C[N@H+](CC(N)=O)[C@H]1CCN(C(=O)CCc2nc[nH]n2)C1 ZINC000971299913 616055031 /nfs/dbraw/zinc/05/50/31/616055031.db2.gz FSGTZHJYKQNFRK-VIFPVBQESA-N 1 2 280.332 -1.245 20 0 CAADLO C[N@@H+](CC(N)=O)[C@H]1CCN(C(=O)CCc2nc[nH]n2)C1 ZINC000971299913 616055032 /nfs/dbraw/zinc/05/50/32/616055032.db2.gz FSGTZHJYKQNFRK-VIFPVBQESA-N 1 2 280.332 -1.245 20 0 CAADLO Cn1nncc1C[N@H+](C)[C@H]1CCN(C(=O)C(N)=O)C1 ZINC000972212693 616098103 /nfs/dbraw/zinc/09/81/03/616098103.db2.gz NYQKAVRAZHTHFM-QMMMGPOBSA-N 1 2 266.305 -1.667 20 0 CAADLO Cn1nncc1C[N@@H+](C)[C@H]1CCN(C(=O)C(N)=O)C1 ZINC000972212693 616098105 /nfs/dbraw/zinc/09/81/05/616098105.db2.gz NYQKAVRAZHTHFM-QMMMGPOBSA-N 1 2 266.305 -1.667 20 0 CAADLO Cn1nncc1C[N@H+](C)C[C@@H]1CCCN1C(=O)C(N)=O ZINC000960823517 616098131 /nfs/dbraw/zinc/09/81/31/616098131.db2.gz BAGIWTQLUMXVET-VIFPVBQESA-N 1 2 280.332 -1.277 20 0 CAADLO Cn1nncc1C[N@@H+](C)C[C@@H]1CCCN1C(=O)C(N)=O ZINC000960823517 616098132 /nfs/dbraw/zinc/09/81/32/616098132.db2.gz BAGIWTQLUMXVET-VIFPVBQESA-N 1 2 280.332 -1.277 20 0 CAADLO Cn1[nH]c(C[N@H+](C)[C@@H]2CCN(C(=O)CC(N)=O)C2)nc1=O ZINC000971239603 616101591 /nfs/dbraw/zinc/10/15/91/616101591.db2.gz QLDIOGDCKKGELH-MRVPVSSYSA-N 1 2 296.331 -1.984 20 0 CAADLO Cn1[nH]c(C[N@@H+](C)[C@@H]2CCN(C(=O)CC(N)=O)C2)nc1=O ZINC000971239603 616101593 /nfs/dbraw/zinc/10/15/93/616101593.db2.gz QLDIOGDCKKGELH-MRVPVSSYSA-N 1 2 296.331 -1.984 20 0 CAADLO Cn1[nH]c(C[N@H+](C)[C@@H]2CCN(C(=O)C(N)=O)C2)nc1=O ZINC000972212137 616101604 /nfs/dbraw/zinc/10/16/04/616101604.db2.gz JLTLDGAKDMAWJI-SSDOTTSWSA-N 1 2 282.304 -2.374 20 0 CAADLO Cn1[nH]c(C[N@@H+](C)[C@@H]2CCN(C(=O)C(N)=O)C2)nc1=O ZINC000972212137 616101605 /nfs/dbraw/zinc/10/16/05/616101605.db2.gz JLTLDGAKDMAWJI-SSDOTTSWSA-N 1 2 282.304 -2.374 20 0 CAADLO Cn1[nH]c(C[N@H+](C)C[C@H]2CCCN2C(=O)C(N)=O)nc1=O ZINC000960830118 616101728 /nfs/dbraw/zinc/10/17/28/616101728.db2.gz LAITXKRXYPUOKB-MRVPVSSYSA-N 1 2 296.331 -1.984 20 0 CAADLO Cn1[nH]c(C[N@@H+](C)C[C@H]2CCCN2C(=O)C(N)=O)nc1=O ZINC000960830118 616101729 /nfs/dbraw/zinc/10/17/29/616101729.db2.gz LAITXKRXYPUOKB-MRVPVSSYSA-N 1 2 296.331 -1.984 20 0 CAADLO CN1C(=O)CC[C@@H]1C(=O)N1CCC[N@H+](CC(N)=O)CC1 ZINC000981811698 616127414 /nfs/dbraw/zinc/12/74/14/616127414.db2.gz VNBRFCHDMBNMMD-SNVBAGLBSA-N 1 2 282.344 -1.373 20 0 CAADLO CN1C(=O)CC[C@@H]1C(=O)N1CCC[N@@H+](CC(N)=O)CC1 ZINC000981811698 616127415 /nfs/dbraw/zinc/12/74/15/616127415.db2.gz VNBRFCHDMBNMMD-SNVBAGLBSA-N 1 2 282.344 -1.373 20 0 CAADLO CN1CCOC[C@H]1C(=O)N[C@H]1C[N@H+](CC(N)=O)CC1(C)C ZINC000974484718 616249674 /nfs/dbraw/zinc/24/96/74/616249674.db2.gz MMKMOZIJVPXOIN-QWRGUYRKSA-N 1 2 298.387 -1.371 20 0 CAADLO CN1CCOC[C@H]1C(=O)N[C@H]1C[N@@H+](CC(N)=O)CC1(C)C ZINC000974484718 616249675 /nfs/dbraw/zinc/24/96/75/616249675.db2.gz MMKMOZIJVPXOIN-QWRGUYRKSA-N 1 2 298.387 -1.371 20 0 CAADLO C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(CC(N)=O)CC2(C)C)C1 ZINC000972992539 616253042 /nfs/dbraw/zinc/25/30/42/616253042.db2.gz SQNSWMIXYCILPW-GHMZBOCLSA-N 1 2 298.387 -1.371 20 0 CAADLO C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(CC(N)=O)CC2(C)C)C1 ZINC000972992539 616253043 /nfs/dbraw/zinc/25/30/43/616253043.db2.gz SQNSWMIXYCILPW-GHMZBOCLSA-N 1 2 298.387 -1.371 20 0 CAADLO C[N@@H+]1CCO[C@@H](C(=O)N[C@]2(C)CCN(C(=O)C(N)=O)C2)C1 ZINC000956791769 616253225 /nfs/dbraw/zinc/25/32/25/616253225.db2.gz DBIMVVMIUGMNSA-NOZJJQNGSA-N 1 2 298.343 -2.091 20 0 CAADLO C[N@H+]1CCO[C@@H](C(=O)N[C@]2(C)CCN(C(=O)C(N)=O)C2)C1 ZINC000956791769 616253226 /nfs/dbraw/zinc/25/32/26/616253226.db2.gz DBIMVVMIUGMNSA-NOZJJQNGSA-N 1 2 298.343 -2.091 20 0 CAADLO CN1CC[C@@H](CC(=O)N2CCC[N@H+](CC(N)=O)CC2)C1=O ZINC000981405971 616268732 /nfs/dbraw/zinc/26/87/32/616268732.db2.gz HBXBAULGXZNNPL-NSHDSACASA-N 1 2 296.371 -1.126 20 0 CAADLO CN1CC[C@@H](CC(=O)N2CCC[N@@H+](CC(N)=O)CC2)C1=O ZINC000981405971 616268733 /nfs/dbraw/zinc/26/87/33/616268733.db2.gz HBXBAULGXZNNPL-NSHDSACASA-N 1 2 296.371 -1.126 20 0 CAADLO CN1C[C@@H](C(=O)N[C@@H]2C[N@H+](CC(N)=O)CC2(C)C)NC1=O ZINC000974904511 616276988 /nfs/dbraw/zinc/27/69/88/616276988.db2.gz RBDAQRAVXBQOLS-DTWKUNHWSA-N 1 2 297.359 -1.678 20 0 CAADLO CN1C[C@@H](C(=O)N[C@@H]2C[N@@H+](CC(N)=O)CC2(C)C)NC1=O ZINC000974904511 616276990 /nfs/dbraw/zinc/27/69/90/616276990.db2.gz RBDAQRAVXBQOLS-DTWKUNHWSA-N 1 2 297.359 -1.678 20 0 CAADLO CN1C[C@@H](C(=O)N[C@H]2C[N@H+](CC(N)=O)CC2(C)C)CC1=O ZINC000974638668 616278798 /nfs/dbraw/zinc/27/87/98/616278798.db2.gz GXDJWXKVQWFDMI-UWVGGRQHSA-N 1 2 296.371 -1.223 20 0 CAADLO CN1C[C@@H](C(=O)N[C@H]2C[N@@H+](CC(N)=O)CC2(C)C)CC1=O ZINC000974638668 616278801 /nfs/dbraw/zinc/27/88/01/616278801.db2.gz GXDJWXKVQWFDMI-UWVGGRQHSA-N 1 2 296.371 -1.223 20 0 CAADLO CN1CC[C@H](C(=O)N2CCC[N@H+](CC(N)=O)CC2)CC1=O ZINC000981469893 616358119 /nfs/dbraw/zinc/35/81/19/616358119.db2.gz OWFGSPTYHCVTBY-NSHDSACASA-N 1 2 296.371 -1.126 20 0 CAADLO CN1CC[C@H](C(=O)N2CCC[N@@H+](CC(N)=O)CC2)CC1=O ZINC000981469893 616358122 /nfs/dbraw/zinc/35/81/22/616358122.db2.gz OWFGSPTYHCVTBY-NSHDSACASA-N 1 2 296.371 -1.126 20 0 CAADLO COCC[NH+]1CCN(C(=O)c2cn(CC(N)=O)nn2)CC1 ZINC000957776318 616367750 /nfs/dbraw/zinc/36/77/50/616367750.db2.gz DYKWJDPMXOTBCI-UHFFFAOYSA-N 1 2 296.331 -1.832 20 0 CAADLO COCC(=O)N1CC[C@@H]([N@H+](C)Cc2nc(=O)n(C)[nH]2)C1 ZINC000970908911 616593882 /nfs/dbraw/zinc/59/38/82/616593882.db2.gz FSULHBPGMOOGFA-SECBINFHSA-N 1 2 283.332 -1.213 20 0 CAADLO COCC(=O)N1CC[C@@H]([N@@H+](C)Cc2nc(=O)n(C)[nH]2)C1 ZINC000970908911 616593884 /nfs/dbraw/zinc/59/38/84/616593884.db2.gz FSULHBPGMOOGFA-SECBINFHSA-N 1 2 283.332 -1.213 20 0 CAADLO CNC(=O)C[NH+]1CC([C@@H](C)NC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC000970424456 616596567 /nfs/dbraw/zinc/59/65/67/616596567.db2.gz DQZWTSGXXOTOOR-QNSHHTMESA-N 1 2 282.344 -1.710 20 0 CAADLO CNC(=O)C[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC000970354761 616596571 /nfs/dbraw/zinc/59/65/71/616596571.db2.gz SYHBQLPATUOAEI-APPZFPTMSA-N 1 2 283.332 -2.150 20 0 CAADLO CNC(=O)C[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCC(=O)N2C)C1 ZINC000970315070 616596589 /nfs/dbraw/zinc/59/65/89/616596589.db2.gz RRLKLVUUXCJXQW-MWLCHTKSSA-N 1 2 296.371 -1.210 20 0 CAADLO CNC(=O)C[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCNC(=O)C2)C1 ZINC000969480256 616596674 /nfs/dbraw/zinc/59/66/74/616596674.db2.gz REVYCRAECCMJTH-ZJUUUORDSA-N 1 2 296.371 -1.305 20 0 CAADLO CNC(=O)C[NH+]1CC([C@@H](C)NC(=O)[C@H]2COC(=O)N2)C1 ZINC000969586595 616596727 /nfs/dbraw/zinc/59/67/27/616596727.db2.gz ZGOMOXLTGPEQMI-VXNVDRBHSA-N 1 2 284.316 -1.723 20 0 CAADLO CNC(=O)C[NH+]1CC([C@@H](C)NC(=O)c2cn(C)c(=O)[nH]2)C1 ZINC000970369611 616597515 /nfs/dbraw/zinc/59/75/15/616597515.db2.gz RWLJECJKSDYXBB-MRVPVSSYSA-N 1 2 295.343 -1.078 20 0 CAADLO CNC(=O)C[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCC(=O)N2)C1 ZINC000970759326 616598004 /nfs/dbraw/zinc/59/80/04/616598004.db2.gz GFBWHBZOSKDQHJ-WPRPVWTQSA-N 1 2 282.344 -1.553 20 0 CAADLO CNC(=O)C[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCC(=O)NC2)C1 ZINC000970020988 616598050 /nfs/dbraw/zinc/59/80/50/616598050.db2.gz PCXVRZLGOXFXHA-VHSXEESVSA-N 1 2 296.371 -1.305 20 0 CAADLO CNC(=O)C[NH+]1CC([C@@H](C)NC(=O)c2cnon2)C1 ZINC000970620209 616598121 /nfs/dbraw/zinc/59/81/21/616598121.db2.gz SZSKEZHLHABUAN-SSDOTTSWSA-N 1 2 267.289 -1.134 20 0 CAADLO CNC(=O)C[NH+]1CC([C@@H](C)NC(=O)c2cn[nH]c(=O)c2)C1 ZINC000969902032 616598188 /nfs/dbraw/zinc/59/81/88/616598188.db2.gz JEYXHHGPROHBGK-MRVPVSSYSA-N 1 2 293.327 -1.022 20 0 CAADLO CNC(=O)C[NH+]1CC([C@H](C)NC(=O)[C@H]2CCC(=O)N2)C1 ZINC000969409298 616598640 /nfs/dbraw/zinc/59/86/40/616598640.db2.gz GFBWHBZOSKDQHJ-WCBMZHEXSA-N 1 2 282.344 -1.553 20 0 CAADLO CNC(=O)C[NH+]1CC([C@H](C)NC(=O)[C@H]2CCC(=O)N2C)C1 ZINC000970315069 616598652 /nfs/dbraw/zinc/59/86/52/616598652.db2.gz RRLKLVUUXCJXQW-GXSJLCMTSA-N 1 2 296.371 -1.210 20 0 CAADLO CNC(=O)C[NH+]1CC([C@H](C)NC(=O)[C@H]2CCN(C)C2=O)C1 ZINC000970292237 616598668 /nfs/dbraw/zinc/59/86/68/616598668.db2.gz KUONBTVAZZRXGC-GXSJLCMTSA-N 1 2 296.371 -1.353 20 0 CAADLO CNC(=O)C[NH+]1CC([C@H](C)NC(=O)[C@H]2OCCO[C@H]2C)C1 ZINC000969867955 616598737 /nfs/dbraw/zinc/59/87/37/616598737.db2.gz GGQTXXXVBYLJLX-KWBADKCTSA-N 1 2 299.371 -1.027 20 0 CAADLO CNC(=O)C[NH+]1CC([C@H](C)NC(=O)[C@H]2CCC(=O)NC2)C1 ZINC000970020987 616598760 /nfs/dbraw/zinc/59/87/60/616598760.db2.gz PCXVRZLGOXFXHA-UWVGGRQHSA-N 1 2 296.371 -1.305 20 0 CAADLO CNC(=O)C[NH+]1CC([C@H](C)NC(=O)[C@@H]2COCCO2)C1 ZINC000969322851 616598803 /nfs/dbraw/zinc/59/88/03/616598803.db2.gz JQFKRXVTECQHRE-ONGXEEELSA-N 1 2 285.344 -1.416 20 0 CAADLO CNC(=O)C[NH+]1CC([C@H](C)NC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC000970424457 616598889 /nfs/dbraw/zinc/59/88/89/616598889.db2.gz DQZWTSGXXOTOOR-SFGNSQDASA-N 1 2 282.344 -1.710 20 0 CAADLO CNC(=O)C[NH+]1CC([C@H](C)NC(=O)[C@H]2COC(=O)N2)C1 ZINC000969586590 616598917 /nfs/dbraw/zinc/59/89/17/616598917.db2.gz ZGOMOXLTGPEQMI-IONNQARKSA-N 1 2 284.316 -1.723 20 0 CAADLO CNC(=O)C[NH+]1CC([C@H](C)NC(=O)[C@H]2COCCN2C)C1 ZINC000969513278 616598944 /nfs/dbraw/zinc/59/89/44/616598944.db2.gz BPHNVZMNMRVGNT-CMPLNLGQSA-N 1 2 298.387 -1.501 20 0 CAADLO CNC(=O)C[NH+]1CC([C@H](C)NC(=O)[C@H]2CC(=O)N(C)C2)C1 ZINC000969787262 616598962 /nfs/dbraw/zinc/59/89/62/616598962.db2.gz CGDSXDGFGIYVGX-UWVGGRQHSA-N 1 2 296.371 -1.353 20 0 CAADLO CNC(=O)C[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCCNC2=O)C1 ZINC000969885970 616598964 /nfs/dbraw/zinc/59/89/64/616598964.db2.gz ZWLZQUFKUPLINP-GXSJLCMTSA-N 1 2 296.371 -1.305 20 0 CAADLO CNC(=O)C[NH+]1CC([C@H](C)NC(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC000970269937 616598989 /nfs/dbraw/zinc/59/89/89/616598989.db2.gz DIRFUUDPVWQTBP-WCBMZHEXSA-N 1 2 297.359 -1.808 20 0 CAADLO CNC(=O)C[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCNC(=O)C2)C1 ZINC000969480250 616598995 /nfs/dbraw/zinc/59/89/95/616598995.db2.gz REVYCRAECCMJTH-VHSXEESVSA-N 1 2 296.371 -1.305 20 0 CAADLO CNC(=O)C[NH+]1CC([C@H](C)NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC000970354762 616599007 /nfs/dbraw/zinc/59/90/07/616599007.db2.gz SYHBQLPATUOAEI-CBAPKCEASA-N 1 2 283.332 -2.150 20 0 CAADLO CNC(=O)C[NH+]1CC([C@H](C)NC(=O)c2ccc(=O)[nH]n2)C1 ZINC000969247961 616599618 /nfs/dbraw/zinc/59/96/18/616599618.db2.gz ZYTMDCFCEYAYHM-QMMMGPOBSA-N 1 2 293.327 -1.022 20 0 CAADLO CNC(=O)C[N@@H+]1CCCN(C(=O)C[C@@H]2CCNC2=O)CC1 ZINC000981321464 616603090 /nfs/dbraw/zinc/60/30/90/616603090.db2.gz DOHSMJQLUJYYQL-NSHDSACASA-N 1 2 296.371 -1.207 20 0 CAADLO CNC(=O)C[N@H+]1CCCN(C(=O)C[C@@H]2CCNC2=O)CC1 ZINC000981321464 616603092 /nfs/dbraw/zinc/60/30/92/616603092.db2.gz DOHSMJQLUJYYQL-NSHDSACASA-N 1 2 296.371 -1.207 20 0 CAADLO CNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2CCCNC2=O)CC1 ZINC000981390436 616604248 /nfs/dbraw/zinc/60/42/48/616604248.db2.gz FNLXUVPDGHGRAZ-LLVKDONJSA-N 1 2 296.371 -1.207 20 0 CAADLO CNC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2CCCNC2=O)CC1 ZINC000981390436 616604251 /nfs/dbraw/zinc/60/42/51/616604251.db2.gz FNLXUVPDGHGRAZ-LLVKDONJSA-N 1 2 296.371 -1.207 20 0 CAADLO CNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2COC(=O)N2)CC1 ZINC000981071902 616604381 /nfs/dbraw/zinc/60/43/81/616604381.db2.gz WCKFDKZRRAMOMX-VIFPVBQESA-N 1 2 284.316 -1.625 20 0 CAADLO CNC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2COC(=O)N2)CC1 ZINC000981071902 616604382 /nfs/dbraw/zinc/60/43/82/616604382.db2.gz WCKFDKZRRAMOMX-VIFPVBQESA-N 1 2 284.316 -1.625 20 0 CAADLO CNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2COCCN2C)CC1 ZINC000981013979 616604520 /nfs/dbraw/zinc/60/45/20/616604520.db2.gz OECFDIOOFSQEDU-LBPRGKRZSA-N 1 2 298.387 -1.403 20 0 CAADLO CNC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2COCCN2C)CC1 ZINC000981013979 616604523 /nfs/dbraw/zinc/60/45/23/616604523.db2.gz OECFDIOOFSQEDU-LBPRGKRZSA-N 1 2 298.387 -1.403 20 0 CAADLO CNC(=O)C[N@@H+]1CCCN(C(=O)[C@H]2CCNC2=O)CC1 ZINC000981747256 616605500 /nfs/dbraw/zinc/60/55/00/616605500.db2.gz WRQCYPKDRLSJPO-JTQLQIEISA-N 1 2 282.344 -1.597 20 0 CAADLO CNC(=O)C[N@H+]1CCCN(C(=O)[C@H]2CCNC2=O)CC1 ZINC000981747256 616605502 /nfs/dbraw/zinc/60/55/02/616605502.db2.gz WRQCYPKDRLSJPO-JTQLQIEISA-N 1 2 282.344 -1.597 20 0 CAADLO CNC(=O)C[N@@H+]1CCCN(C(=O)[C@]2(C)CNC(=O)C2)CC1 ZINC000981673881 616605814 /nfs/dbraw/zinc/60/58/14/616605814.db2.gz OFJBIBPOCFKPMJ-AWEZNQCLSA-N 1 2 296.371 -1.207 20 0 CAADLO CNC(=O)C[N@H+]1CCCN(C(=O)[C@]2(C)CNC(=O)C2)CC1 ZINC000981673881 616605817 /nfs/dbraw/zinc/60/58/17/616605817.db2.gz OFJBIBPOCFKPMJ-AWEZNQCLSA-N 1 2 296.371 -1.207 20 0 CAADLO CNC(=O)C[N@@H+]1CCCN(C(=O)c2cc(=O)n(C)o2)CC1 ZINC000981052772 616605876 /nfs/dbraw/zinc/60/58/76/616605876.db2.gz SSOKKLOBZHLQFK-UHFFFAOYSA-N 1 2 296.327 -1.128 20 0 CAADLO CNC(=O)C[N@H+]1CCCN(C(=O)c2cc(=O)n(C)o2)CC1 ZINC000981052772 616605878 /nfs/dbraw/zinc/60/58/78/616605878.db2.gz SSOKKLOBZHLQFK-UHFFFAOYSA-N 1 2 296.327 -1.128 20 0 CAADLO CNC(=O)C[N@@H+]1CCCN(C(=O)[C@H]2CCCNC2=O)CC1 ZINC000981390437 616605931 /nfs/dbraw/zinc/60/59/31/616605931.db2.gz FNLXUVPDGHGRAZ-NSHDSACASA-N 1 2 296.371 -1.207 20 0 CAADLO CNC(=O)C[N@H+]1CCCN(C(=O)[C@H]2CCCNC2=O)CC1 ZINC000981390437 616605933 /nfs/dbraw/zinc/60/59/33/616605933.db2.gz FNLXUVPDGHGRAZ-NSHDSACASA-N 1 2 296.371 -1.207 20 0 CAADLO CNC(=O)C[N@@H+]1CCCN(C(=O)[C@H]2CCN(C)C2=O)CC1 ZINC000981779080 616606043 /nfs/dbraw/zinc/60/60/43/616606043.db2.gz LLSFJPAJQXKKSX-NSHDSACASA-N 1 2 296.371 -1.255 20 0 CAADLO CNC(=O)C[N@H+]1CCCN(C(=O)[C@H]2CCN(C)C2=O)CC1 ZINC000981779080 616606047 /nfs/dbraw/zinc/60/60/47/616606047.db2.gz LLSFJPAJQXKKSX-NSHDSACASA-N 1 2 296.371 -1.255 20 0 CAADLO CNC(=O)C[N@@H+]1CCCN(C(=O)c2cnn(C)c2N)CC1 ZINC000981022854 616606811 /nfs/dbraw/zinc/60/68/11/616606811.db2.gz ZOTRMEYIRTZHEG-UHFFFAOYSA-N 1 2 294.359 -1.104 20 0 CAADLO CNC(=O)C[N@H+]1CCCN(C(=O)c2cnn(C)c2N)CC1 ZINC000981022854 616606813 /nfs/dbraw/zinc/60/68/13/616606813.db2.gz ZOTRMEYIRTZHEG-UHFFFAOYSA-N 1 2 294.359 -1.104 20 0 CAADLO CNC(=O)CN1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000952401201 616608967 /nfs/dbraw/zinc/60/89/67/616608967.db2.gz CSPJSRPWVPHQOM-UHFFFAOYSA-N 1 2 265.317 -1.158 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)C(N)=O)C1 ZINC000968132371 616610475 /nfs/dbraw/zinc/61/04/75/616610475.db2.gz QHQCJERBTWTTLL-SFYZADRCSA-N 1 2 256.306 -1.956 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)C(N)=O)C1 ZINC000968132371 616610476 /nfs/dbraw/zinc/61/04/76/616610476.db2.gz QHQCJERBTWTTLL-SFYZADRCSA-N 1 2 256.306 -1.956 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2nnn(C)n2)C1 ZINC000967751672 616610687 /nfs/dbraw/zinc/61/06/87/616610687.db2.gz XEEUETHYIXRVBX-BDAKNGLRSA-N 1 2 295.347 -1.604 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2nnn(C)n2)C1 ZINC000967751672 616610689 /nfs/dbraw/zinc/61/06/89/616610689.db2.gz XEEUETHYIXRVBX-BDAKNGLRSA-N 1 2 295.347 -1.604 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cn[nH]n2)[C@H](C)C1 ZINC000942216116 616617249 /nfs/dbraw/zinc/61/72/49/616617249.db2.gz JPVZMWCJWCPWLL-RKDXNWHRSA-N 1 2 280.332 -1.009 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cn[nH]n2)[C@H](C)C1 ZINC000942216116 616617252 /nfs/dbraw/zinc/61/72/52/616617252.db2.gz JPVZMWCJWCPWLL-RKDXNWHRSA-N 1 2 280.332 -1.009 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cnn[nH]2)[C@H](C)C1 ZINC000942216116 616617257 /nfs/dbraw/zinc/61/72/57/616617257.db2.gz JPVZMWCJWCPWLL-RKDXNWHRSA-N 1 2 280.332 -1.009 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cnn[nH]2)[C@H](C)C1 ZINC000942216116 616617260 /nfs/dbraw/zinc/61/72/60/616617260.db2.gz JPVZMWCJWCPWLL-RKDXNWHRSA-N 1 2 280.332 -1.009 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)Cc2nc[nH]n2)C1 ZINC000968518143 616618152 /nfs/dbraw/zinc/61/81/52/616618152.db2.gz YLNYCOFSLGWOSO-UWVGGRQHSA-N 1 2 294.359 -1.080 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)Cc2nc[nH]n2)C1 ZINC000968518143 616618153 /nfs/dbraw/zinc/61/81/53/616618153.db2.gz YLNYCOFSLGWOSO-UWVGGRQHSA-N 1 2 294.359 -1.080 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)Cc2nnc[nH]2)[C@@H](C)C1 ZINC000944048270 616622739 /nfs/dbraw/zinc/62/27/39/616622739.db2.gz XOVQDFQKHJMXEZ-UWVGGRQHSA-N 1 2 294.359 -1.080 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)Cc2nnc[nH]2)[C@@H](C)C1 ZINC000944048270 616622741 /nfs/dbraw/zinc/62/27/41/616622741.db2.gz XOVQDFQKHJMXEZ-UWVGGRQHSA-N 1 2 294.359 -1.080 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)Cc2nnc[nH]2)[C@H](C)C1 ZINC000944048272 616622789 /nfs/dbraw/zinc/62/27/89/616622789.db2.gz XOVQDFQKHJMXEZ-ZJUUUORDSA-N 1 2 294.359 -1.080 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)Cc2nnc[nH]2)[C@H](C)C1 ZINC000944048272 616622791 /nfs/dbraw/zinc/62/27/91/616622791.db2.gz XOVQDFQKHJMXEZ-ZJUUUORDSA-N 1 2 294.359 -1.080 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cn[nH]n2)[C@H](C)C1 ZINC000942216113 616625313 /nfs/dbraw/zinc/62/53/13/616625313.db2.gz JPVZMWCJWCPWLL-BDAKNGLRSA-N 1 2 280.332 -1.009 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cn[nH]n2)[C@H](C)C1 ZINC000942216113 616625318 /nfs/dbraw/zinc/62/53/18/616625318.db2.gz JPVZMWCJWCPWLL-BDAKNGLRSA-N 1 2 280.332 -1.009 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cnn[nH]2)[C@H](C)C1 ZINC000942216113 616625322 /nfs/dbraw/zinc/62/53/22/616625322.db2.gz JPVZMWCJWCPWLL-BDAKNGLRSA-N 1 2 280.332 -1.009 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cnn[nH]2)[C@H](C)C1 ZINC000942216113 616625328 /nfs/dbraw/zinc/62/53/28/616625328.db2.gz JPVZMWCJWCPWLL-BDAKNGLRSA-N 1 2 280.332 -1.009 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2nnc[nH]2)[C@H](C)C1 ZINC000943676797 616626346 /nfs/dbraw/zinc/62/63/46/616626346.db2.gz VYLZMGNVIASBFS-BDAKNGLRSA-N 1 2 280.332 -1.009 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)c2nnc[nH]2)[C@H](C)C1 ZINC000943676797 616626348 /nfs/dbraw/zinc/62/63/48/616626348.db2.gz VYLZMGNVIASBFS-BDAKNGLRSA-N 1 2 280.332 -1.009 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2ncn[nH]2)[C@H](C)C1 ZINC000943676797 616626353 /nfs/dbraw/zinc/62/63/53/616626353.db2.gz VYLZMGNVIASBFS-BDAKNGLRSA-N 1 2 280.332 -1.009 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)c2ncn[nH]2)[C@H](C)C1 ZINC000943676797 616626355 /nfs/dbraw/zinc/62/63/55/616626355.db2.gz VYLZMGNVIASBFS-BDAKNGLRSA-N 1 2 280.332 -1.009 20 0 CAADLO CNC(=O)C[N@@H+]1C[C@@H](NC(=O)[C@@H]2COCCO2)C(C)(C)C1 ZINC000972818906 616629319 /nfs/dbraw/zinc/62/93/19/616629319.db2.gz QYMHMZXPVGVOFU-WDEREUQCSA-N 1 2 299.371 -1.026 20 0 CAADLO CNC(=O)C[N@H+]1C[C@@H](NC(=O)[C@@H]2COCCO2)C(C)(C)C1 ZINC000972818906 616629321 /nfs/dbraw/zinc/62/93/21/616629321.db2.gz QYMHMZXPVGVOFU-WDEREUQCSA-N 1 2 299.371 -1.026 20 0 CAADLO CNC(=O)C[N@@H+]1C[C@@H](NC(=O)c2nnn(C)n2)C(C)(C)C1 ZINC000974953424 616631306 /nfs/dbraw/zinc/63/13/06/616631306.db2.gz YXEGCCWAHFYTHJ-MRVPVSSYSA-N 1 2 295.347 -1.604 20 0 CAADLO CNC(=O)C[N@H+]1C[C@@H](NC(=O)c2nnn(C)n2)C(C)(C)C1 ZINC000974953424 616631309 /nfs/dbraw/zinc/63/13/09/616631309.db2.gz YXEGCCWAHFYTHJ-MRVPVSSYSA-N 1 2 295.347 -1.604 20 0 CAADLO CNC(=O)C[N@@H+]1C[C@H](NC(=O)Cc2nc[nH]n2)C(C)(C)C1 ZINC000977471787 616636118 /nfs/dbraw/zinc/63/61/18/616636118.db2.gz HBXCMZYFIASKCJ-VIFPVBQESA-N 1 2 294.359 -1.080 20 0 CAADLO CNC(=O)C[N@H+]1C[C@H](NC(=O)Cc2nc[nH]n2)C(C)(C)C1 ZINC000977471787 616636121 /nfs/dbraw/zinc/63/61/21/616636121.db2.gz HBXCMZYFIASKCJ-VIFPVBQESA-N 1 2 294.359 -1.080 20 0 CAADLO COCC(=O)N1C[C@@H](NC(=O)Cc2c[nH]c[nH+]2)[C@H](OC)C1 ZINC000946979153 616660054 /nfs/dbraw/zinc/66/00/54/616660054.db2.gz NCEZVECXHDTPAA-GHMZBOCLSA-N 1 2 296.327 -1.059 20 0 CAADLO COCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000958938353 616683072 /nfs/dbraw/zinc/68/30/72/616683072.db2.gz KMGFRVGMCJDAFP-UWVGGRQHSA-N 1 2 296.327 -1.371 20 0 CAADLO COCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000958976869 616683079 /nfs/dbraw/zinc/68/30/79/616683079.db2.gz AUARMKJWLKMYGB-QWRGUYRKSA-N 1 2 296.327 -1.371 20 0 CAADLO CNC(=O)Cc1noc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(C)=O)n1 ZINC000957996410 616685186 /nfs/dbraw/zinc/68/51/86/616685186.db2.gz MWGZJXQVTAWJRO-WOFXILAISA-N 1 2 293.327 -1.076 20 0 CAADLO CNC(=O)Cc1noc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(C)=O)n1 ZINC000957996410 616685189 /nfs/dbraw/zinc/68/51/89/616685189.db2.gz MWGZJXQVTAWJRO-WOFXILAISA-N 1 2 293.327 -1.076 20 0 CAADLO CO[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1NC(=O)C(N)=O ZINC000946503268 616738607 /nfs/dbraw/zinc/73/86/07/616738607.db2.gz QKOPYSVTKMEDKO-RKDXNWHRSA-N 1 2 295.299 -2.221 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+]1C[C@H](NC(=O)C(N)=O)C(C)(C)C1 ZINC000975004986 616790920 /nfs/dbraw/zinc/79/09/20/616790920.db2.gz ISHPGNUIBKVAOY-SFYZADRCSA-N 1 2 270.333 -1.567 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+]1C[C@H](NC(=O)C(N)=O)C(C)(C)C1 ZINC000975004986 616790925 /nfs/dbraw/zinc/79/09/25/616790925.db2.gz ISHPGNUIBKVAOY-SFYZADRCSA-N 1 2 270.333 -1.567 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cn[nH]n1 ZINC000960754481 616792082 /nfs/dbraw/zinc/79/20/82/616792082.db2.gz YJWONWDSMOYLQV-ODXREFDESA-N 1 2 278.316 -1.401 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cn[nH]n1 ZINC000960754481 616792088 /nfs/dbraw/zinc/79/20/88/616792088.db2.gz YJWONWDSMOYLQV-ODXREFDESA-N 1 2 278.316 -1.401 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnn[nH]1 ZINC000960754481 616792089 /nfs/dbraw/zinc/79/20/89/616792089.db2.gz YJWONWDSMOYLQV-ODXREFDESA-N 1 2 278.316 -1.401 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnn[nH]1 ZINC000960754481 616792090 /nfs/dbraw/zinc/79/20/90/616792090.db2.gz YJWONWDSMOYLQV-ODXREFDESA-N 1 2 278.316 -1.401 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ncn[nH]1 ZINC000962086427 616793870 /nfs/dbraw/zinc/79/38/70/616793870.db2.gz QSJSJPCPZQBXGL-HXFLIBJXSA-N 1 2 278.316 -1.401 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ncn[nH]1 ZINC000962086427 616793875 /nfs/dbraw/zinc/79/38/75/616793875.db2.gz QSJSJPCPZQBXGL-HXFLIBJXSA-N 1 2 278.316 -1.401 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1nc[nH]n1 ZINC000962086427 616793879 /nfs/dbraw/zinc/79/38/79/616793879.db2.gz QSJSJPCPZQBXGL-HXFLIBJXSA-N 1 2 278.316 -1.401 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1nc[nH]n1 ZINC000962086427 616793885 /nfs/dbraw/zinc/79/38/85/616793885.db2.gz QSJSJPCPZQBXGL-HXFLIBJXSA-N 1 2 278.316 -1.401 20 0 CAADLO CO[C@H](C)C(=O)N1C[C@@H](NC(=O)Cc2[nH]cc[nH+]2)[C@@H](O)C1 ZINC000970079081 617046321 /nfs/dbraw/zinc/04/63/21/617046321.db2.gz YVCXJJRDFXWHHZ-BBBLOLIVSA-N 1 2 296.327 -1.325 20 0 CAADLO CO[C@@H](C)C(=O)N1CC[C@@H]([NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC000967418031 617139904 /nfs/dbraw/zinc/13/99/04/617139904.db2.gz ONYKUPDGESPNIZ-DTWKUNHWSA-N 1 2 283.332 -1.166 20 0 CAADLO COc1c(=O)[nH]c(=O)[nH]c1C(=O)N1CC[NH+](CCO)CC1 ZINC000957315147 617148874 /nfs/dbraw/zinc/14/88/74/617148874.db2.gz ZSJCJAVXSNYVFU-UHFFFAOYSA-N 1 2 298.299 -1.354 20 0 CAADLO COc1cc(C(=O)NC[C@@H]2C[N@H+](CC(N)=O)C[C@@H]2O)on1 ZINC000957978383 617161617 /nfs/dbraw/zinc/16/16/17/617161617.db2.gz BNGATFMTXLTQHR-SFYZADRCSA-N 1 2 298.299 -1.809 20 0 CAADLO COc1cc(C(=O)NC[C@@H]2C[N@@H+](CC(N)=O)C[C@@H]2O)on1 ZINC000957978383 617161618 /nfs/dbraw/zinc/16/16/18/617161618.db2.gz BNGATFMTXLTQHR-SFYZADRCSA-N 1 2 298.299 -1.809 20 0 CAADLO COCCCC(=O)NC1(CCO)C[NH+](CCO)C1 ZINC001276027499 782186905 /nfs/dbraw/zinc/18/69/05/782186905.db2.gz DZOOUNXREZJWMA-UHFFFAOYSA-N 1 2 260.334 -1.042 20 0 CAADLO O=C(NC1(CCO)C[NH+](CCCO)C1)[C@H]1CCCNC1=O ZINC001276056530 782187510 /nfs/dbraw/zinc/18/75/10/782187510.db2.gz DLBPIXRCAWEKGM-NSHDSACASA-N 1 2 299.371 -1.552 20 0 CAADLO CO[C@@H](C)C[NH+]1CC(CCO)(NC(=O)[C@H]2CCNC2=O)C1 ZINC001276075264 782188105 /nfs/dbraw/zinc/18/81/05/782188105.db2.gz CJDLPZRTUCVUNC-QWRGUYRKSA-N 1 2 299.371 -1.290 20 0 CAADLO CCOCC[NH+]1CC(CCO)(NC(=O)[C@H]2CCNC2=O)C1 ZINC001276075965 782188190 /nfs/dbraw/zinc/18/81/90/782188190.db2.gz QWXUIQYTDWZTRY-NSHDSACASA-N 1 2 299.371 -1.288 20 0 CAADLO CCO[C@@H](C[NH+]1CC(CCO)(NC(=O)C(N)=O)C1)C1CC1 ZINC001276082280 782188589 /nfs/dbraw/zinc/18/85/89/782188589.db2.gz GNXDDKKRVPEMJK-NSHDSACASA-N 1 2 299.371 -1.160 20 0 CAADLO CNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1nccn1)C2 ZINC001095471721 782188965 /nfs/dbraw/zinc/18/89/65/782188965.db2.gz VXSPMSHNKOVRIO-VWYCJHECSA-N 1 2 292.343 -1.254 20 0 CAADLO CNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1nccn1)C2 ZINC001095471721 782188969 /nfs/dbraw/zinc/18/89/69/782188969.db2.gz VXSPMSHNKOVRIO-VWYCJHECSA-N 1 2 292.343 -1.254 20 0 CAADLO NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1nccn1)C2 ZINC001095474974 782189500 /nfs/dbraw/zinc/18/95/00/782189500.db2.gz LAYSJGQPKJPTJV-UTLUCORTSA-N 1 2 278.316 -1.515 20 0 CAADLO NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1nccn1)C2 ZINC001095474974 782189506 /nfs/dbraw/zinc/18/95/06/782189506.db2.gz LAYSJGQPKJPTJV-UTLUCORTSA-N 1 2 278.316 -1.515 20 0 CAADLO Cn1[nH]c(C[NH2+][C@@H]2CCN(C(=O)c3cn[nH]n3)C2)nc1=O ZINC000969175554 655995695 /nfs/dbraw/zinc/99/56/95/655995695.db2.gz UKMUWYLFLRTRIC-SSDOTTSWSA-N 1 2 292.303 -1.769 20 0 CAADLO Cn1nnc(C[NH2+][C@H]2C[C@H](NC(=O)[C@H]3CCNC3=O)C2)n1 ZINC001020464616 655996342 /nfs/dbraw/zinc/99/63/42/655996342.db2.gz BFVJEHIMPIOMPK-CIUDSAMLSA-N 1 2 293.331 -1.917 20 0 CAADLO C[C@@H](NC(=O)[C@H]1COCCO1)C1C[NH+](CC(N)=O)C1 ZINC000969321469 655996620 /nfs/dbraw/zinc/99/66/20/655996620.db2.gz DWPIWWREGQCFNI-PSASIEDQSA-N 1 2 271.317 -1.676 20 0 CAADLO C[C@H](NC(=O)c1ccc(=O)[nH]n1)C1C[NH+](CC(N)=O)C1 ZINC000969252070 655996892 /nfs/dbraw/zinc/99/68/92/655996892.db2.gz LWHIEOVUXUJOQA-ZETCQYMHSA-N 1 2 279.300 -1.282 20 0 CAADLO C[C@H](NC(=O)c1cn[nH]c1)C1C[NH+](CC(N)=O)C1 ZINC000969343159 655997366 /nfs/dbraw/zinc/99/73/66/655997366.db2.gz UHOYHROBLVUECU-ZETCQYMHSA-N 1 2 251.290 -1.055 20 0 CAADLO C[C@@H](NC(=O)c1ccnn1C)C1C[NH+](CC(N)=O)C1 ZINC000969385378 655997739 /nfs/dbraw/zinc/99/77/39/655997739.db2.gz OJRYSEGKNLAUBE-MRVPVSSYSA-N 1 2 265.317 -1.045 20 0 CAADLO Cn1nnc(C[NH2+][C@H]2C[C@H](NC(=O)[C@H]3[C@@H]4COC[C@@H]43)C2)n1 ZINC001020486460 655997834 /nfs/dbraw/zinc/99/78/34/655997834.db2.gz BOJMVPNEOGRMGO-LKVZDKOUSA-N 1 2 292.343 -1.161 20 0 CAADLO C[C@@H](NC(=O)c1nccnc1N)C1C[NH+]([C@@H](C)C(N)=O)C1 ZINC000969424520 655998385 /nfs/dbraw/zinc/99/83/85/655998385.db2.gz QHIOXISIUJEKSY-SFYZADRCSA-N 1 2 292.343 -1.017 20 0 CAADLO C[C@@H](NC(=O)[C@H]1CCC(=O)N1)C1C[NH+](CC(N)=O)C1 ZINC000969411205 655998608 /nfs/dbraw/zinc/99/86/08/655998608.db2.gz YSVSZWWCEXPRTO-VXNVDRBHSA-N 1 2 268.317 -1.813 20 0 CAADLO C[C@H](C(N)=O)[NH+]1CC([C@H](C)NC(=O)c2nccnc2N)C1 ZINC000969424519 655998638 /nfs/dbraw/zinc/99/86/38/655998638.db2.gz QHIOXISIUJEKSY-JGVFFNPUSA-N 1 2 292.343 -1.017 20 0 CAADLO Cc1c(C(=O)N[C@@H](C)C2C[NH+](CC(N)=O)C2)nnn1C ZINC000969433710 655998667 /nfs/dbraw/zinc/99/86/67/655998667.db2.gz QSLKLRYVULLIDI-ZETCQYMHSA-N 1 2 280.332 -1.341 20 0 CAADLO Cn1nnc(C[NH2+][C@H]2C[C@H](NC(=O)[C@H]3CNC(=O)N3)C2)n1 ZINC001020530936 655999499 /nfs/dbraw/zinc/99/94/99/655999499.db2.gz KMLSAUAKIYZPFY-BWZBUEFSSA-N 1 2 294.319 -2.372 20 0 CAADLO CCc1nc(C[NH2+][C@H]2C[C@H](NC(=O)C(N)=O)C2)no1 ZINC001020533358 655999916 /nfs/dbraw/zinc/99/99/16/655999916.db2.gz SOBWZPHGKHTZMQ-LJGSYFOKSA-N 1 2 267.289 -1.146 20 0 CAADLO C[C@@H](NC(=O)[C@@H]1C[N@H+](C)CCO1)C1CN(CC(N)=O)C1 ZINC000969441728 656000049 /nfs/dbraw/zinc/00/00/49/656000049.db2.gz MMTQVKDXGWUYFI-KOLCDFICSA-N 1 2 284.360 -1.761 20 0 CAADLO C[C@@H](NC(=O)[C@@H]1C[N@@H+](C)CCO1)C1CN(CC(N)=O)C1 ZINC000969441728 656000051 /nfs/dbraw/zinc/00/00/51/656000051.db2.gz MMTQVKDXGWUYFI-KOLCDFICSA-N 1 2 284.360 -1.761 20 0 CAADLO C[C@H](NC(=O)[C@H]1C[N@H+](C)CCO1)C1CN(CC(N)=O)C1 ZINC000969441727 656000133 /nfs/dbraw/zinc/00/01/33/656000133.db2.gz MMTQVKDXGWUYFI-GXSJLCMTSA-N 1 2 284.360 -1.761 20 0 CAADLO C[C@H](NC(=O)[C@H]1C[N@@H+](C)CCO1)C1CN(CC(N)=O)C1 ZINC000969441727 656000136 /nfs/dbraw/zinc/00/01/36/656000136.db2.gz MMTQVKDXGWUYFI-GXSJLCMTSA-N 1 2 284.360 -1.761 20 0 CAADLO C[C@@H](NC(=O)c1cn(C)cn1)C1C[NH+](CC(N)=O)C1 ZINC000969497235 656000571 /nfs/dbraw/zinc/00/05/71/656000571.db2.gz SMYJQOMQASZBOZ-MRVPVSSYSA-N 1 2 265.317 -1.045 20 0 CAADLO C[C@@H](NC(=O)[C@@H]1CCNC(=O)C1)C1C[NH+](CC(N)=O)C1 ZINC000969484406 656000758 /nfs/dbraw/zinc/00/07/58/656000758.db2.gz XBYPNOAJPKMNHJ-RKDXNWHRSA-N 1 2 282.344 -1.566 20 0 CAADLO C[C@@H](NC(=O)[C@H]1CCNC(=O)C1)C1C[NH+](CC(N)=O)C1 ZINC000969484398 656000986 /nfs/dbraw/zinc/00/09/86/656000986.db2.gz XBYPNOAJPKMNHJ-BDAKNGLRSA-N 1 2 282.344 -1.566 20 0 CAADLO C[C@@H](NC(=O)[C@@H]1COC(=O)N1)C1C[NH+](CC(N)=O)C1 ZINC000969593105 656001952 /nfs/dbraw/zinc/00/19/52/656001952.db2.gz FJHYPCSZQCFEBI-SVRRBLITSA-N 1 2 270.289 -1.983 20 0 CAADLO C[C@@H](NC(=O)c1ncc[nH]1)C1C[NH+](CC(N)=O)C1 ZINC000969639518 656001996 /nfs/dbraw/zinc/00/19/96/656001996.db2.gz AWQHXEOOQLBZFE-SSDOTTSWSA-N 1 2 251.290 -1.055 20 0 CAADLO C[C@H](NC(=O)[C@@H]1COC(=O)N1)C1C[NH+](CC(N)=O)C1 ZINC000969593111 656002054 /nfs/dbraw/zinc/00/20/54/656002054.db2.gz FJHYPCSZQCFEBI-XPUUQOCRSA-N 1 2 270.289 -1.983 20 0 CAADLO C[C@@H](NC(=O)c1cn(C)nn1)C1C[NH+](CC(N)=O)C1 ZINC000969617508 656002106 /nfs/dbraw/zinc/00/21/06/656002106.db2.gz UPZGIZARLGIKRN-SSDOTTSWSA-N 1 2 266.305 -1.650 20 0 CAADLO C[C@@H](NC(=O)c1cn(C)nn1)C1C[NH+]([C@H](C)C(N)=O)C1 ZINC000969589825 656002167 /nfs/dbraw/zinc/00/21/67/656002167.db2.gz XNTJPALJQVPICD-HTQZYQBOSA-N 1 2 280.332 -1.261 20 0 CAADLO C[C@H](NC(=O)c1ncn(C)n1)C1C[NH+]([C@@H](C)C(N)=O)C1 ZINC000969615680 656002475 /nfs/dbraw/zinc/00/24/75/656002475.db2.gz CQKSZNPUDBDZKJ-YUMQZZPRSA-N 1 2 280.332 -1.261 20 0 CAADLO C[C@@H](NC(=O)c1ncn(C)n1)C1C[NH+]([C@H](C)C(N)=O)C1 ZINC000969615677 656002532 /nfs/dbraw/zinc/00/25/32/656002532.db2.gz CQKSZNPUDBDZKJ-HTQZYQBOSA-N 1 2 280.332 -1.261 20 0 CAADLO C[C@H](NC(=O)c1ncc[nH]1)C1C[NH+](CC(N)=O)C1 ZINC000969639522 656002568 /nfs/dbraw/zinc/00/25/68/656002568.db2.gz AWQHXEOOQLBZFE-ZETCQYMHSA-N 1 2 251.290 -1.055 20 0 CAADLO C[C@@H](NC(=O)c1cnnn1C)C1C[NH+](CC(N)=O)C1 ZINC000969602253 656002632 /nfs/dbraw/zinc/00/26/32/656002632.db2.gz LRDBIYDDVVBLRG-SSDOTTSWSA-N 1 2 266.305 -1.650 20 0 CAADLO C[C@@H](NC(=O)C1CS(=O)(=O)C1)C1C[NH+](CCO)C1 ZINC000969743736 656002886 /nfs/dbraw/zinc/00/28/86/656002886.db2.gz CYMRAQWOOSRGIE-MRVPVSSYSA-N 1 2 276.358 -1.540 20 0 CAADLO C[C@H](NC(=O)[C@H]1C[C@@H](C)CC(=O)N1)C1C[NH+](CC(N)=O)C1 ZINC000969690634 656002951 /nfs/dbraw/zinc/00/29/51/656002951.db2.gz PYAMSZWLYKBCFQ-WCABBAIRSA-N 1 2 296.371 -1.177 20 0 CAADLO C[C@@H](NC(=O)[C@]12C[C@H]1COC2)C1C[NH+](CC(N)=O)C1 ZINC000969712738 656003387 /nfs/dbraw/zinc/00/33/87/656003387.db2.gz FUENTAFQEMSBFC-DVYJOKAKSA-N 1 2 267.329 -1.055 20 0 CAADLO Cc1nnc(C[NH2+][C@@H]2CCN(C(=O)[C@H]3CNC(=O)N3)C2)o1 ZINC000969767315 656003528 /nfs/dbraw/zinc/00/35/28/656003528.db2.gz VUOSXKVNZPXEEB-RKDXNWHRSA-N 1 2 294.315 -1.250 20 0 CAADLO CNC(=O)C[N@@H+]1CCC[C@H](NC(=O)[C@H]2COCCO2)C1 ZINC001006801207 656003637 /nfs/dbraw/zinc/00/36/37/656003637.db2.gz ZZCSQLRYELKVGA-WDEREUQCSA-N 1 2 285.344 -1.272 20 0 CAADLO CNC(=O)C[N@H+]1CCC[C@H](NC(=O)[C@H]2COCCO2)C1 ZINC001006801207 656003640 /nfs/dbraw/zinc/00/36/40/656003640.db2.gz ZZCSQLRYELKVGA-WDEREUQCSA-N 1 2 285.344 -1.272 20 0 CAADLO O=C([C@@H]1CNC(=O)N1)N1CC[C@@H]([NH2+]Cc2nncs2)C1 ZINC000969766269 656003908 /nfs/dbraw/zinc/00/39/08/656003908.db2.gz KOTXZYVSAMQNRI-SFYZADRCSA-N 1 2 296.356 -1.090 20 0 CAADLO Cc1noc(C[NH2+][C@@H]2CCN(C(=O)[C@@H]3CNC(=O)N3)C2)n1 ZINC000969766135 656003998 /nfs/dbraw/zinc/00/39/98/656003998.db2.gz JHCQLDNYMYXXPQ-BDAKNGLRSA-N 1 2 294.315 -1.250 20 0 CAADLO O=C([C@@H]1CNC(=O)N1)N1CC[C@@H]([NH2+]Cc2csnn2)C1 ZINC000969765209 656004021 /nfs/dbraw/zinc/00/40/21/656004021.db2.gz BJFUZXFKSZKMLY-APPZFPTMSA-N 1 2 296.356 -1.090 20 0 CAADLO NC(=O)C(=O)N1CC[C@@H]([NH2+]Cc2ncnn2CCF)C1 ZINC000969777929 656004346 /nfs/dbraw/zinc/00/43/46/656004346.db2.gz RGXOCFMWHFVOBH-MRVPVSSYSA-N 1 2 284.295 -1.577 20 0 CAADLO Cc1ccnc(C[NH2+][C@@H]2CCN(C(=O)C(N)=O)C2)n1 ZINC000969776975 656004356 /nfs/dbraw/zinc/00/43/56/656004356.db2.gz IPGJRUKWZPMVMY-SECBINFHSA-N 1 2 263.301 -1.039 20 0 CAADLO NC(=O)C(=O)N1CC[C@@H]([NH2+]Cc2noc3c2COCC3)C1 ZINC000969784874 656004467 /nfs/dbraw/zinc/00/44/67/656004467.db2.gz BZJSVEBKQQSLOE-MRVPVSSYSA-N 1 2 294.311 -1.077 20 0 CAADLO C[C@H]([NH2+][C@@H]1CCN(C(=O)C(N)=O)C1)c1nnnn1C1CC1 ZINC000969784730 656004529 /nfs/dbraw/zinc/00/45/29/656004529.db2.gz YDSWPOQEOLUULI-JGVFFNPUSA-N 1 2 293.331 -1.255 20 0 CAADLO C[C@H](NC(=O)[C@@H]1CC(=O)N(C)C1)C1C[NH+](CC(N)=O)C1 ZINC000969789859 656004834 /nfs/dbraw/zinc/00/48/34/656004834.db2.gz SHCIAUGOJWHFAG-DTWKUNHWSA-N 1 2 282.344 -1.614 20 0 CAADLO C[C@@H](NC(=O)[C@H]1OCCO[C@H]1C)C1C[NH+](CC(N)=O)C1 ZINC000969873605 656005559 /nfs/dbraw/zinc/00/55/59/656005559.db2.gz QJZHEDJDJIXEMM-PTRXPTGYSA-N 1 2 285.344 -1.288 20 0 CAADLO C[C@@H](NC(=O)[C@@H]1CCCNC1=O)C1C[NH+](CC(N)=O)C1 ZINC000969883166 656005671 /nfs/dbraw/zinc/00/56/71/656005671.db2.gz GHLVOTFMLDVGCA-PSASIEDQSA-N 1 2 282.344 -1.566 20 0 CAADLO Cc1[nH]c(=O)[nH]c1C(=O)N[C@@H](C)C1C[NH+](CC(N)=O)C1 ZINC000969906380 656005918 /nfs/dbraw/zinc/00/59/18/656005918.db2.gz DKZFUWFYIYJNRC-LURJTMIESA-N 1 2 281.316 -1.041 20 0 CAADLO C[C@H](NC(=O)[C@H]1CCN(C)C(=O)C1)C1C[NH+](CC(N)=O)C1 ZINC000969986766 656006020 /nfs/dbraw/zinc/00/60/20/656006020.db2.gz DXQXLWCZHOBBNB-UWVGGRQHSA-N 1 2 296.371 -1.223 20 0 CAADLO C[C@@H](NC(=O)[C@H]1CCCC(=O)N1)C1C[NH+](CC(N)=O)C1 ZINC000969918213 656006356 /nfs/dbraw/zinc/00/63/56/656006356.db2.gz FQDFVGPVRUBZFJ-PSASIEDQSA-N 1 2 282.344 -1.423 20 0 CAADLO C[C@H](NC(=O)[C@@H]1CCC(=O)NC1)C1C[NH+](CC(N)=O)C1 ZINC000970021353 656006707 /nfs/dbraw/zinc/00/67/07/656006707.db2.gz STZHIXFPPFTNTM-DTWKUNHWSA-N 1 2 282.344 -1.566 20 0 CAADLO C[C@H](NC(=O)[C@H]1CCS(=O)(=O)C1)C1C[NH+](CCO)C1 ZINC000970089267 656007223 /nfs/dbraw/zinc/00/72/23/656007223.db2.gz CARUMCBJVLRYQU-UWVGGRQHSA-N 1 2 290.385 -1.150 20 0 CAADLO C[C@H]([NH2+][C@H]1C[C@H](NC(=O)c2nnc[nH]2)C1)c1nnnn1C ZINC001020772972 656007291 /nfs/dbraw/zinc/00/72/91/656007291.db2.gz AIFBCVQUVDWAQK-FXQIFTODSA-N 1 2 291.319 -1.060 20 0 CAADLO C[C@H]([NH2+][C@H]1C[C@H](NC(=O)c2ncn[nH]2)C1)c1nnnn1C ZINC001020772972 656007299 /nfs/dbraw/zinc/00/72/99/656007299.db2.gz AIFBCVQUVDWAQK-FXQIFTODSA-N 1 2 291.319 -1.060 20 0 CAADLO C[C@H]([NH2+][C@H]1C[C@H](NC(=O)c2nc[nH]n2)C1)c1nnnn1C ZINC001020772972 656007302 /nfs/dbraw/zinc/00/73/02/656007302.db2.gz AIFBCVQUVDWAQK-FXQIFTODSA-N 1 2 291.319 -1.060 20 0 CAADLO NC(=O)C(=O)N1C[C@@H](NC(=O)Cc2[nH]cc[nH+]2)[C@@H](O)C1 ZINC000970092809 656007569 /nfs/dbraw/zinc/00/75/69/656007569.db2.gz HYRDSIHQFFOEIF-RQJHMYQMSA-N 1 2 281.272 -2.875 20 0 CAADLO Cn1cc(C[NH2+][C@H]2C[C@H](NC(=O)c3ncn[nH]3)C2)nn1 ZINC001020772974 656007681 /nfs/dbraw/zinc/00/76/81/656007681.db2.gz AKFFEHLWEPAJST-ZKCHVHJHSA-N 1 2 276.304 -1.016 20 0 CAADLO Cn1cc(C[NH2+][C@H]2C[C@H](NC(=O)c3nc[nH]n3)C2)nn1 ZINC001020772974 656007686 /nfs/dbraw/zinc/00/76/86/656007686.db2.gz AKFFEHLWEPAJST-ZKCHVHJHSA-N 1 2 276.304 -1.016 20 0 CAADLO NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)c2nc3ncccn3n2)C1 ZINC001020782930 656007943 /nfs/dbraw/zinc/00/79/43/656007943.db2.gz DDMUYFOQGMNPAX-ZKCHVHJHSA-N 1 2 289.299 -1.540 20 0 CAADLO CN1CC[C@@H]([NH2+][C@H]2C[C@H](NC(=O)c3nnc[nH]3)C2)C1=O ZINC001020777266 656007982 /nfs/dbraw/zinc/00/79/82/656007982.db2.gz SVQRMFBJVWYPDA-IWSPIJDZSA-N 1 2 278.316 -1.114 20 0 CAADLO CN1CC[C@@H]([NH2+][C@H]2C[C@H](NC(=O)c3ncn[nH]3)C2)C1=O ZINC001020777266 656007986 /nfs/dbraw/zinc/00/79/86/656007986.db2.gz SVQRMFBJVWYPDA-IWSPIJDZSA-N 1 2 278.316 -1.114 20 0 CAADLO CN1CC[C@@H]([NH2+][C@H]2C[C@H](NC(=O)c3nc[nH]n3)C2)C1=O ZINC001020777266 656007989 /nfs/dbraw/zinc/00/79/89/656007989.db2.gz SVQRMFBJVWYPDA-IWSPIJDZSA-N 1 2 278.316 -1.114 20 0 CAADLO NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)c2cc(C(N)=O)c[nH]2)C1 ZINC001020826940 656008027 /nfs/dbraw/zinc/00/80/27/656008027.db2.gz DRQZOXAAVKMCQP-ZKCHVHJHSA-N 1 2 279.300 -1.551 20 0 CAADLO C[C@@H]([NH2+][C@@H]1CCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C1)C(N)=O ZINC000970119771 656008049 /nfs/dbraw/zinc/00/80/49/656008049.db2.gz ZUELLFVNXLZQTB-PRJMDXOYSA-N 1 2 297.315 -2.351 20 0 CAADLO C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)c2cnon2)C1)C(N)=O ZINC001020786186 656008131 /nfs/dbraw/zinc/00/81/31/656008131.db2.gz RBTYLIVIADUWPQ-FSDSQADBSA-N 1 2 253.262 -1.206 20 0 CAADLO C[C@H]([NH2+][C@@H]1CCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C1)C(N)=O ZINC000970119772 656008208 /nfs/dbraw/zinc/00/82/08/656008208.db2.gz ZUELLFVNXLZQTB-RNJXMRFFSA-N 1 2 297.315 -2.351 20 0 CAADLO Cn1cnnc1C[NH2+][C@H]1C[C@H](NC(=O)c2nnc[nH]2)C1 ZINC001020781411 656008248 /nfs/dbraw/zinc/00/82/48/656008248.db2.gz IHTHUKXUYCIYCB-ZKCHVHJHSA-N 1 2 276.304 -1.016 20 0 CAADLO Cn1cnnc1C[NH2+][C@H]1C[C@H](NC(=O)c2ncn[nH]2)C1 ZINC001020781411 656008259 /nfs/dbraw/zinc/00/82/59/656008259.db2.gz IHTHUKXUYCIYCB-ZKCHVHJHSA-N 1 2 276.304 -1.016 20 0 CAADLO Cn1cnnc1C[NH2+][C@H]1C[C@H](NC(=O)c2nc[nH]n2)C1 ZINC001020781411 656008265 /nfs/dbraw/zinc/00/82/65/656008265.db2.gz IHTHUKXUYCIYCB-ZKCHVHJHSA-N 1 2 276.304 -1.016 20 0 CAADLO Cn1nnnc1C[NH2+][C@H]1C[C@H](NC(=O)c2nnc[nH]2)C1 ZINC001020781383 656008280 /nfs/dbraw/zinc/00/82/80/656008280.db2.gz GTDWIBVBCAIVCO-LJGSYFOKSA-N 1 2 277.292 -1.621 20 0 CAADLO Cn1nnnc1C[NH2+][C@H]1C[C@H](NC(=O)c2ncn[nH]2)C1 ZINC001020781383 656008284 /nfs/dbraw/zinc/00/82/84/656008284.db2.gz GTDWIBVBCAIVCO-LJGSYFOKSA-N 1 2 277.292 -1.621 20 0 CAADLO Cn1nnnc1C[NH2+][C@H]1C[C@H](NC(=O)c2nc[nH]n2)C1 ZINC001020781383 656008288 /nfs/dbraw/zinc/00/82/88/656008288.db2.gz GTDWIBVBCAIVCO-LJGSYFOKSA-N 1 2 277.292 -1.621 20 0 CAADLO C[C@@H](NC(=O)c1ccc(C(N)=O)o1)C1C[NH+](CC(N)=O)C1 ZINC000970114836 656008295 /nfs/dbraw/zinc/00/82/95/656008295.db2.gz XPFNOUUBAHGJHG-SSDOTTSWSA-N 1 2 294.311 -1.086 20 0 CAADLO O=C(N[C@H]1C[C@H]([NH2+]CCN2CCNC2=O)C1)c1cnon1 ZINC001020784462 656008296 /nfs/dbraw/zinc/00/82/96/656008296.db2.gz UAHOSNSAQOGAJS-KYZUINATSA-N 1 2 294.315 -1.055 20 0 CAADLO O=C(N[C@H]1C[C@H]([NH2+]CCO)C1)c1nc2ncccn2n1 ZINC001020783351 656008328 /nfs/dbraw/zinc/00/83/28/656008328.db2.gz GUPRYQFRNYWFAL-KYZUINATSA-N 1 2 276.300 -1.033 20 0 CAADLO Cc1ccnn1CC(=O)N1CC[C@@H]([NH2+]CC(N)=O)C1 ZINC000970126924 656008343 /nfs/dbraw/zinc/00/83/43/656008343.db2.gz BDGPILNJEHOBGX-SNVBAGLBSA-N 1 2 265.317 -1.133 20 0 CAADLO NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)Cc2ncc[nH]2)C1 ZINC001020816546 656008346 /nfs/dbraw/zinc/00/83/46/656008346.db2.gz LXPIIMQHQLFURS-ZKCHVHJHSA-N 1 2 251.290 -1.326 20 0 CAADLO O=C(N[C@@H]1C[C@@H]([NH2+][C@H]2CCC(=O)NC2=O)C1)c1cnon1 ZINC001020786681 656008376 /nfs/dbraw/zinc/00/83/76/656008376.db2.gz ATRNUMRXTLGZMG-FXQIFTODSA-N 1 2 293.283 -1.275 20 0 CAADLO Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)N[C@H]1C[C@H]([NH2+]CCO)C1 ZINC001020810755 656008391 /nfs/dbraw/zinc/00/83/91/656008391.db2.gz ZJJVPDHCZVROIV-KYZUINATSA-N 1 2 296.327 -1.032 20 0 CAADLO Cn1ncc(C[NH2+][C@H]2C[C@H](NC(=O)Cc3nnc[nH]3)C2)n1 ZINC001020904325 656008766 /nfs/dbraw/zinc/00/87/66/656008766.db2.gz UJIIKQPGIIJVNK-KYZUINATSA-N 1 2 290.331 -1.087 20 0 CAADLO Cn1cc(C[NH2+][C@H]2C[C@H](NC(=O)Cc3nnc[nH]3)C2)nn1 ZINC001020905325 656008812 /nfs/dbraw/zinc/00/88/12/656008812.db2.gz XYLHLXPMFRHSGT-KYZUINATSA-N 1 2 290.331 -1.087 20 0 CAADLO Cn1ccc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3nnn(C)n3)C2)n1 ZINC001021050831 656010609 /nfs/dbraw/zinc/01/06/09/656010609.db2.gz VKXKBFUXVLYRQE-KYZUINATSA-N 1 2 290.331 -1.006 20 0 CAADLO NC(=O)C(=O)N[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@@H]1O ZINC000970208990 656012160 /nfs/dbraw/zinc/01/21/60/656012160.db2.gz XAIXXIUQSGLDAJ-BDAKNGLRSA-N 1 2 295.299 -2.554 20 0 CAADLO C[C@@H](NC(=O)c1coc(C(N)=O)c1)C1C[NH+](CC(N)=O)C1 ZINC000970209414 656012244 /nfs/dbraw/zinc/01/22/44/656012244.db2.gz FWOFLVAMPAXOTJ-SSDOTTSWSA-N 1 2 294.311 -1.086 20 0 CAADLO C[C@@H](NC(=O)[C@H]1CCNC1=O)C1C[NH+](CC(N)=O)C1 ZINC000970269220 656013264 /nfs/dbraw/zinc/01/32/64/656013264.db2.gz VDZAKAPSBPNBBB-APPZFPTMSA-N 1 2 268.317 -1.956 20 0 CAADLO C[C@@H](NC(=O)[C@H]1CN(C)C(=O)N1)C1C[NH+](CC(N)=O)C1 ZINC000970269580 656013270 /nfs/dbraw/zinc/01/32/70/656013270.db2.gz ASPAXORHAMCXRU-VXNVDRBHSA-N 1 2 283.332 -2.068 20 0 CAADLO C[C@@H](NC(=O)[C@@H]1CCNC1=O)C1C[NH+](CC(N)=O)C1 ZINC000970269223 656013381 /nfs/dbraw/zinc/01/33/81/656013381.db2.gz VDZAKAPSBPNBBB-VXNVDRBHSA-N 1 2 268.317 -1.956 20 0 CAADLO C[C@@H](NC(=O)c1c[nH]c(=O)n1C)C1C[NH+](CC(N)=O)C1 ZINC000970273163 656013430 /nfs/dbraw/zinc/01/34/30/656013430.db2.gz GTXOVSDZSFYVMD-SSDOTTSWSA-N 1 2 281.316 -1.339 20 0 CAADLO C[C@@H](NC(=O)[C@@H]1CCN(C)C1=O)C1C[NH+](CC(N)=O)C1 ZINC000970294080 656013813 /nfs/dbraw/zinc/01/38/13/656013813.db2.gz WOAVAJHOLOSFKE-SCZZXKLOSA-N 1 2 282.344 -1.614 20 0 CAADLO C[C@H](NC(=O)c1nnn(C)n1)C1C[NH+](CC(=O)N(C)C)C1 ZINC000970286942 656013905 /nfs/dbraw/zinc/01/39/05/656013905.db2.gz FYZVIYDMORIRTE-QMMMGPOBSA-N 1 2 295.347 -1.652 20 0 CAADLO C[C@@H](NC(=O)c1nnn(C)n1)C1C[NH+](CC(N)=O)C1 ZINC000970290239 656014107 /nfs/dbraw/zinc/01/41/07/656014107.db2.gz WPGNCROASHISCW-ZCFIWIBFSA-N 1 2 267.293 -2.255 20 0 CAADLO C[C@@H](NC(=O)c1nnn(C)n1)C1C[NH+]([C@H](C)C(N)=O)C1 ZINC000970288903 656014141 /nfs/dbraw/zinc/01/41/41/656014141.db2.gz YXSTXLDVYMZYDZ-RNFRBKRXSA-N 1 2 281.320 -1.866 20 0 CAADLO C[C@@H](NC(=O)c1nnn(C)n1)C1C[NH+]([C@@H]2CCNC2=O)C1 ZINC000970289000 656014160 /nfs/dbraw/zinc/01/41/60/656014160.db2.gz BHOLNFFTHDQDLY-VXNVDRBHSA-N 1 2 293.331 -1.851 20 0 CAADLO C[C@@H](NC(=O)c1cn(C)c(=O)[nH]1)C1C[NH+](CC(N)=O)C1 ZINC000970368995 656014892 /nfs/dbraw/zinc/01/48/92/656014892.db2.gz JYQBOSDYRWLADR-SSDOTTSWSA-N 1 2 281.316 -1.339 20 0 CAADLO C[C@H](NC(=O)[C@H]1C[C@H]1C(=O)N(C)C)C1C[NH+](CC(N)=O)C1 ZINC000970426937 656015016 /nfs/dbraw/zinc/01/50/16/656015016.db2.gz XDTXBESEDBFKIQ-INTQDDNPSA-N 1 2 296.371 -1.368 20 0 CAADLO O=C(C[NH2+][C@@H]1CCN(C(=O)Cc2ncn[nH]2)C1)N1CCC1 ZINC000970443866 656015069 /nfs/dbraw/zinc/01/50/69/656015069.db2.gz RFCINRSAVXEVID-SNVBAGLBSA-N 1 2 292.343 -1.230 20 0 CAADLO NC(=O)C[NH2+][C@@H]1CCN(C(=O)Cc2ncn[nH]2)C1 ZINC000970445823 656015191 /nfs/dbraw/zinc/01/51/91/656015191.db2.gz NCMZTZFOARTXIL-SSDOTTSWSA-N 1 2 252.278 -1.977 20 0 CAADLO C[C@@H](NC(=O)[C@H]1C[C@H]1C(=O)N(C)C)C1C[NH+](CC(N)=O)C1 ZINC000970426936 656015291 /nfs/dbraw/zinc/01/52/91/656015291.db2.gz XDTXBESEDBFKIQ-DVVUODLYSA-N 1 2 296.371 -1.368 20 0 CAADLO C[C@H]([NH2+][C@@H]1CCN(C(=O)Cc2ncn[nH]2)C1)C(N)=O ZINC000970445804 656015428 /nfs/dbraw/zinc/01/54/28/656015428.db2.gz MOBPKMHJAVQQJE-JGVFFNPUSA-N 1 2 266.305 -1.589 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)CN2CN=NC2=O)C1 ZINC001010672338 656015863 /nfs/dbraw/zinc/01/58/63/656015863.db2.gz YTPNXGJWTUSSBK-QMMMGPOBSA-N 1 2 282.304 -2.080 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)CN2CN=NC2=O)C1 ZINC001010672338 656015865 /nfs/dbraw/zinc/01/58/65/656015865.db2.gz YTPNXGJWTUSSBK-QMMMGPOBSA-N 1 2 282.304 -2.080 20 0 CAADLO C[C@H](NC(=O)[C@@H]1CC(=O)NC(=O)N1)C1C[NH+](CC(N)=O)C1 ZINC000970502051 656016179 /nfs/dbraw/zinc/01/61/79/656016179.db2.gz ATOXQEZVAJVOBP-XPUUQOCRSA-N 1 2 297.315 -2.494 20 0 CAADLO C[C@H](NC(=O)c1cnn(C)n1)C1C[NH+](CC(N)=O)C1 ZINC000970584451 656016666 /nfs/dbraw/zinc/01/66/66/656016666.db2.gz WCVNHZMDYQLNNE-ZETCQYMHSA-N 1 2 266.305 -1.650 20 0 CAADLO C[C@@H](NC(=O)c1cnon1)C1C[NH+]([C@H](C)C(N)=O)C1 ZINC000970620201 656016972 /nfs/dbraw/zinc/01/69/72/656016972.db2.gz SRZCEIXZLUWLKU-RNFRBKRXSA-N 1 2 267.289 -1.007 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)CC2OCCCO2)C1 ZINC001010747568 656017772 /nfs/dbraw/zinc/01/77/72/656017772.db2.gz JRNSCQQTGFEFQL-SECBINFHSA-N 1 2 271.317 -1.185 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)CC2OCCCO2)C1 ZINC001010747568 656017777 /nfs/dbraw/zinc/01/77/77/656017777.db2.gz JRNSCQQTGFEFQL-SECBINFHSA-N 1 2 271.317 -1.185 20 0 CAADLO C[C@@H](NC(=O)[C@H]1CCCC(=O)N1C)C1C[NH+](CC(N)=O)C1 ZINC000970821708 656018804 /nfs/dbraw/zinc/01/88/04/656018804.db2.gz SSNMRRRKFDHFOL-MWLCHTKSSA-N 1 2 296.371 -1.081 20 0 CAADLO Cn1nnc(CN[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)C2)n1 ZINC000970857612 656018867 /nfs/dbraw/zinc/01/88/67/656018867.db2.gz FHWYIFRQUBOTTL-SNVBAGLBSA-N 1 2 290.331 -1.203 20 0 CAADLO C[C@H](NC(=O)c1ccc(=O)n(C)n1)C1C[NH+](CC(N)=O)C1 ZINC000970846062 656019243 /nfs/dbraw/zinc/01/92/43/656019243.db2.gz PLHYYBLCHIKULF-QMMMGPOBSA-N 1 2 293.327 -1.684 20 0 CAADLO C[C@H](NC(=O)c1ccn(C)n1)C1C[NH+](CC(N)=O)C1 ZINC000970880799 656019834 /nfs/dbraw/zinc/01/98/34/656019834.db2.gz QKQRARLITQFNAB-QMMMGPOBSA-N 1 2 265.317 -1.045 20 0 CAADLO C[C@@H](NC(=O)[C@@H]1CCCS1(=O)=O)C1C[NH+](CCO)C1 ZINC000970910061 656019864 /nfs/dbraw/zinc/01/98/64/656019864.db2.gz KVMANTSFSWUBMZ-KOLCDFICSA-N 1 2 290.385 -1.008 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2ncn(C)n2)C1 ZINC001010868309 656020221 /nfs/dbraw/zinc/02/02/21/656020221.db2.gz FPWQNYNYJVBGCC-QMMMGPOBSA-N 1 2 266.305 -1.635 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)c2ncn(C)n2)C1 ZINC001010868309 656020223 /nfs/dbraw/zinc/02/02/23/656020223.db2.gz FPWQNYNYJVBGCC-QMMMGPOBSA-N 1 2 266.305 -1.635 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+]1CC[C@H](NC(=O)c2cn(C)nn2)C1 ZINC001010858139 656020460 /nfs/dbraw/zinc/02/04/60/656020460.db2.gz AKDNOVXFCDKGDY-IUCAKERBSA-N 1 2 280.332 -1.246 20 0 CAADLO CNC(=O)[C@H](C)[N@H+]1CC[C@H](NC(=O)c2cn(C)nn2)C1 ZINC001010858139 656020462 /nfs/dbraw/zinc/02/04/62/656020462.db2.gz AKDNOVXFCDKGDY-IUCAKERBSA-N 1 2 280.332 -1.246 20 0 CAADLO Cn1cnc(C(=O)N[C@H]2CC[N@@H+]([C@H]3CCNC3=O)C2)n1 ZINC001010876994 656020479 /nfs/dbraw/zinc/02/04/79/656020479.db2.gz NSRJVTMQAYAFGP-IUCAKERBSA-N 1 2 278.316 -1.492 20 0 CAADLO Cn1cnc(C(=O)N[C@H]2CC[N@H+]([C@H]3CCNC3=O)C2)n1 ZINC001010876994 656020482 /nfs/dbraw/zinc/02/04/82/656020482.db2.gz NSRJVTMQAYAFGP-IUCAKERBSA-N 1 2 278.316 -1.492 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)c2cn(C)nn2)C1 ZINC001010858145 656020621 /nfs/dbraw/zinc/02/06/21/656020621.db2.gz AKDNOVXFCDKGDY-RKDXNWHRSA-N 1 2 280.332 -1.246 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+]1CC[C@@H](NC(=O)c2cn(C)nn2)C1 ZINC001010858145 656020624 /nfs/dbraw/zinc/02/06/24/656020624.db2.gz AKDNOVXFCDKGDY-RKDXNWHRSA-N 1 2 280.332 -1.246 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ncn(C)n2)C1 ZINC001010868306 656020674 /nfs/dbraw/zinc/02/06/74/656020674.db2.gz FPWQNYNYJVBGCC-MRVPVSSYSA-N 1 2 266.305 -1.635 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2ncn(C)n2)C1 ZINC001010868306 656020675 /nfs/dbraw/zinc/02/06/75/656020675.db2.gz FPWQNYNYJVBGCC-MRVPVSSYSA-N 1 2 266.305 -1.635 20 0 CAADLO NC(=O)CC(=O)N1C[C@@H](NC(=O)Cc2c[nH]c[nH+]2)[C@@H](O)C1 ZINC000970949893 656020720 /nfs/dbraw/zinc/02/07/20/656020720.db2.gz BNFOCURFVXOIFM-BDAKNGLRSA-N 1 2 295.299 -2.485 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+]1CC[C@@H](NC(=O)c2cn(C)nn2)C1 ZINC001010858135 656020746 /nfs/dbraw/zinc/02/07/46/656020746.db2.gz AKDNOVXFCDKGDY-DTWKUNHWSA-N 1 2 280.332 -1.246 20 0 CAADLO CNC(=O)[C@H](C)[N@H+]1CC[C@@H](NC(=O)c2cn(C)nn2)C1 ZINC001010858135 656020748 /nfs/dbraw/zinc/02/07/48/656020748.db2.gz AKDNOVXFCDKGDY-DTWKUNHWSA-N 1 2 280.332 -1.246 20 0 CAADLO CCN1OC[C@@H]([N@@H+]2CC[C@@H](CS(N)(=O)=O)C2)C1=O ZINC000932948996 656021270 /nfs/dbraw/zinc/02/12/70/656021270.db2.gz KRBAWEJAGSPDRH-RKDXNWHRSA-N 1 2 277.346 -1.241 20 0 CAADLO CCN1OC[C@@H]([N@H+]2CC[C@@H](CS(N)(=O)=O)C2)C1=O ZINC000932948996 656021273 /nfs/dbraw/zinc/02/12/73/656021273.db2.gz KRBAWEJAGSPDRH-RKDXNWHRSA-N 1 2 277.346 -1.241 20 0 CAADLO O=c1ccccn1CC[N@@H+]1CCN2[C@@H](CNS2(=O)=O)C1 ZINC000933099063 656022120 /nfs/dbraw/zinc/02/21/20/656022120.db2.gz PUEUZGJHPBTNHT-NSHDSACASA-N 1 2 298.368 -1.318 20 0 CAADLO O=c1ccccn1CC[N@H+]1CCN2[C@@H](CNS2(=O)=O)C1 ZINC000933099063 656022123 /nfs/dbraw/zinc/02/21/23/656022123.db2.gz PUEUZGJHPBTNHT-NSHDSACASA-N 1 2 298.368 -1.318 20 0 CAADLO CC(=O)[C@](C)(O)C[N@@H+]1CCN2[C@H](CNS2(=O)=O)C1 ZINC000933099721 656022418 /nfs/dbraw/zinc/02/24/18/656022418.db2.gz BEZDMWFXUIJPIW-NXEZZACHSA-N 1 2 277.346 -1.839 20 0 CAADLO CC(=O)[C@](C)(O)C[N@H+]1CCN2[C@H](CNS2(=O)=O)C1 ZINC000933099721 656022420 /nfs/dbraw/zinc/02/24/20/656022420.db2.gz BEZDMWFXUIJPIW-NXEZZACHSA-N 1 2 277.346 -1.839 20 0 CAADLO Cn1nnc(C[NH2+][C@H]2C[C@@H](NC(=O)Cn3cnnn3)C2)n1 ZINC001021816424 656022768 /nfs/dbraw/zinc/02/27/68/656022768.db2.gz MTMIVBHYCXLNHF-OCAPTIKFSA-N 1 2 292.307 -2.366 20 0 CAADLO Cn1nnc(C[NH2+][C@H]2C[C@@H](NC(=O)Cn3cccn3)C2)n1 ZINC001021836439 656022940 /nfs/dbraw/zinc/02/29/40/656022940.db2.gz OIKDUVIWZJXSDH-AOOOYVTPSA-N 1 2 290.331 -1.156 20 0 CAADLO Cn1cc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3nnn(C)n3)C2)cn1 ZINC001021820194 656023083 /nfs/dbraw/zinc/02/30/83/656023083.db2.gz HQQKGPUHOLFAOL-AOOOYVTPSA-N 1 2 290.331 -1.006 20 0 CAADLO Cn1nnc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CCOC3)C2)n1 ZINC001021881361 656023657 /nfs/dbraw/zinc/02/36/57/656023657.db2.gz FIUPTLHFIHSFBC-BBBLOLIVSA-N 1 2 280.332 -1.017 20 0 CAADLO CN(CCO)c1nc(NC2CC2)nc(N(C)CCO)[nH+]1 ZINC000891399589 656024543 /nfs/dbraw/zinc/02/45/43/656024543.db2.gz LMPKZUBSDDUKKD-UHFFFAOYSA-N 1 2 282.348 -1.275 20 0 CAADLO Cn1nnc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@]34C[C@H]3COC4)C2)n1 ZINC001022113159 656025773 /nfs/dbraw/zinc/02/57/73/656025773.db2.gz SFZDKAFMDBZXTB-XHSYRHOGSA-N 1 2 292.343 -1.017 20 0 CAADLO Cn1cncc1C(=O)N[C@@H]1C[C@H]([NH2+]Cc2nnn(C)n2)C1 ZINC001022375709 656028450 /nfs/dbraw/zinc/02/84/50/656028450.db2.gz KYEMXAIHWMMJBI-DTORHVGOSA-N 1 2 290.331 -1.006 20 0 CAADLO Cn1cnnc1C[NH2+][C@H]1C[C@@H](NC(=O)c2cnn[nH]2)C1 ZINC001022351813 656028627 /nfs/dbraw/zinc/02/86/27/656028627.db2.gz FRNCCECQUYYFKZ-OCAPTIKFSA-N 1 2 276.304 -1.016 20 0 CAADLO Cn1ncnc1C[NH2+][C@H]1C[C@@H](NC(=O)c2cnn[nH]2)C1 ZINC001022351549 656028776 /nfs/dbraw/zinc/02/87/76/656028776.db2.gz BQWNORVMBMMBDH-OCAPTIKFSA-N 1 2 276.304 -1.016 20 0 CAADLO NC(=O)C(=O)N1CC[C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]21 ZINC001022555928 656031300 /nfs/dbraw/zinc/03/13/00/656031300.db2.gz GYUNWSSZBUFUAR-WCBMZHEXSA-N 1 2 291.311 -1.503 20 0 CAADLO Cn1nnc(C[NH2+][C@H]2C[C@@H](NC(=O)C(N)=O)C2)n1 ZINC001022633266 656032420 /nfs/dbraw/zinc/03/24/20/656032420.db2.gz GVASETNUDBEDEJ-OLQVQODUSA-N 1 2 253.266 -2.568 20 0 CAADLO CC(=O)N[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1O ZINC001022851765 656036745 /nfs/dbraw/zinc/03/67/45/656036745.db2.gz HZABMDNQYNRVSE-RKDXNWHRSA-N 1 2 252.274 -1.340 20 0 CAADLO CC(=O)N[C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1O ZINC001022852108 656036949 /nfs/dbraw/zinc/03/69/49/656036949.db2.gz SWJOXTMSNFBVEP-GHMZBOCLSA-N 1 2 266.301 -1.032 20 0 CAADLO C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)c2nnc[nH]2)C1)c1nnnn1C ZINC001022866570 656038343 /nfs/dbraw/zinc/03/83/43/656038343.db2.gz AIFBCVQUVDWAQK-BIIVOSGPSA-N 1 2 291.319 -1.060 20 0 CAADLO C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)c2ncn[nH]2)C1)c1nnnn1C ZINC001022866570 656038346 /nfs/dbraw/zinc/03/83/46/656038346.db2.gz AIFBCVQUVDWAQK-BIIVOSGPSA-N 1 2 291.319 -1.060 20 0 CAADLO C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)c2nc[nH]n2)C1)c1nnnn1C ZINC001022866570 656038347 /nfs/dbraw/zinc/03/83/47/656038347.db2.gz AIFBCVQUVDWAQK-BIIVOSGPSA-N 1 2 291.319 -1.060 20 0 CAADLO Cn1cc(C[NH2+][C@H]2C[C@@H](NC(=O)c3ncn[nH]3)C2)nn1 ZINC001022866572 656038815 /nfs/dbraw/zinc/03/88/15/656038815.db2.gz AKFFEHLWEPAJST-OCAPTIKFSA-N 1 2 276.304 -1.016 20 0 CAADLO Cn1cc(C[NH2+][C@H]2C[C@@H](NC(=O)c3nc[nH]n3)C2)nn1 ZINC001022866572 656038819 /nfs/dbraw/zinc/03/88/19/656038819.db2.gz AKFFEHLWEPAJST-OCAPTIKFSA-N 1 2 276.304 -1.016 20 0 CAADLO Cn1nnc(C[NH2+][C@H]2C[C@@H](NC(=O)Cc3ncc[nH]3)C2)n1 ZINC001022889514 656039645 /nfs/dbraw/zinc/03/96/45/656039645.db2.gz LXQOLDMWTLFLNO-DTORHVGOSA-N 1 2 290.331 -1.087 20 0 CAADLO Cn1cnnc1C[NH2+][C@H]1C[C@@H](NC(=O)Cc2nnc[nH]2)C1 ZINC001022953065 656040323 /nfs/dbraw/zinc/04/03/23/656040323.db2.gz FRSDZUOKARJJMC-DTORHVGOSA-N 1 2 290.331 -1.087 20 0 CAADLO Cn1ncnc1C[NH2+][C@H]1C[C@@H](NC(=O)Cc2nnc[nH]2)C1 ZINC001022953309 656040568 /nfs/dbraw/zinc/04/05/68/656040568.db2.gz NNVVMBIWDPRVJB-DTORHVGOSA-N 1 2 290.331 -1.087 20 0 CAADLO Cn1nnc(C(=O)N2CC[C@@]3(C2)C[N@H+](CCO)CCO3)n1 ZINC000972512487 656042766 /nfs/dbraw/zinc/04/27/66/656042766.db2.gz WLNYTPAFTQAJSG-LBPRGKRZSA-N 1 2 296.331 -1.881 20 0 CAADLO Cn1nnc(C(=O)N2CC[C@@]3(C2)C[N@@H+](CCO)CCO3)n1 ZINC000972512487 656042768 /nfs/dbraw/zinc/04/27/68/656042768.db2.gz WLNYTPAFTQAJSG-LBPRGKRZSA-N 1 2 296.331 -1.881 20 0 CAADLO Cn1nnc(CN[C@H]2C[C@@H](NC(=O)Cn3cc[nH+]c3)C2)n1 ZINC001023159607 656043254 /nfs/dbraw/zinc/04/32/54/656043254.db2.gz ZWUYKFKHYBTUJN-AOOOYVTPSA-N 1 2 290.331 -1.156 20 0 CAADLO CNC(=O)C[N@@H+]1CCC[C@H](CNC(=O)c2cn[nH]n2)C1 ZINC001023457442 656046671 /nfs/dbraw/zinc/04/66/71/656046671.db2.gz PMUYMCWTQBMOKG-SECBINFHSA-N 1 2 280.332 -1.008 20 0 CAADLO CNC(=O)C[N@H+]1CCC[C@H](CNC(=O)c2cn[nH]n2)C1 ZINC001023457442 656046674 /nfs/dbraw/zinc/04/66/74/656046674.db2.gz PMUYMCWTQBMOKG-SECBINFHSA-N 1 2 280.332 -1.008 20 0 CAADLO CNC(=O)C[N@H+]1CCC[C@H](CNC(=O)c2cnn[nH]2)C1 ZINC001023457442 656046682 /nfs/dbraw/zinc/04/66/82/656046682.db2.gz PMUYMCWTQBMOKG-SECBINFHSA-N 1 2 280.332 -1.008 20 0 CAADLO NC(=O)C(=O)N1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001011329682 656049667 /nfs/dbraw/zinc/04/96/67/656049667.db2.gz AYHWIVOTJYIQKF-UHFFFAOYSA-N 1 2 265.273 -1.961 20 0 CAADLO NC(=O)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCNC(=O)C1 ZINC001024391090 656051491 /nfs/dbraw/zinc/05/14/91/656051491.db2.gz OKHGDHPNLRTKMC-MNOVXSKESA-N 1 2 296.371 -1.031 20 0 CAADLO NC(=O)C[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCNC(=O)C1 ZINC001024391090 656051494 /nfs/dbraw/zinc/05/14/94/656051494.db2.gz OKHGDHPNLRTKMC-MNOVXSKESA-N 1 2 296.371 -1.031 20 0 CAADLO NC(=O)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1COCCO1 ZINC001024339860 656051667 /nfs/dbraw/zinc/05/16/67/656051667.db2.gz QZBJWAZWLYSHCM-MNOVXSKESA-N 1 2 285.344 -1.142 20 0 CAADLO NC(=O)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1COCCO1 ZINC001024339860 656051669 /nfs/dbraw/zinc/05/16/69/656051669.db2.gz QZBJWAZWLYSHCM-MNOVXSKESA-N 1 2 285.344 -1.142 20 0 CAADLO NC(=O)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCNC(=O)C1 ZINC001024391091 656051682 /nfs/dbraw/zinc/05/16/82/656051682.db2.gz OKHGDHPNLRTKMC-QWRGUYRKSA-N 1 2 296.371 -1.031 20 0 CAADLO NC(=O)C[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCNC(=O)C1 ZINC001024391091 656051685 /nfs/dbraw/zinc/05/16/85/656051685.db2.gz OKHGDHPNLRTKMC-QWRGUYRKSA-N 1 2 296.371 -1.031 20 0 CAADLO NC(=O)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1COCCO1 ZINC001024339862 656051691 /nfs/dbraw/zinc/05/16/91/656051691.db2.gz QZBJWAZWLYSHCM-WDEREUQCSA-N 1 2 285.344 -1.142 20 0 CAADLO NC(=O)C[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1COCCO1 ZINC001024339862 656051692 /nfs/dbraw/zinc/05/16/92/656051692.db2.gz QZBJWAZWLYSHCM-WDEREUQCSA-N 1 2 285.344 -1.142 20 0 CAADLO O=C(Cn1cc[nH+]c1)N[C@@H]1CN(C(=O)C2CC2)C[C@H]1O ZINC001024413465 656052076 /nfs/dbraw/zinc/05/20/76/656052076.db2.gz MCWNHMSXZNBMJO-GHMZBOCLSA-N 1 2 278.312 -1.019 20 0 CAADLO Cn1nncc1C(=O)NC[C@@H]1CCCC[N@@H+]1CC(N)=O ZINC001024418824 656052160 /nfs/dbraw/zinc/05/21/60/656052160.db2.gz PEAJTCUYRTUBOQ-VIFPVBQESA-N 1 2 280.332 -1.115 20 0 CAADLO Cn1nncc1C(=O)NC[C@@H]1CCCC[N@H+]1CC(N)=O ZINC001024418824 656052161 /nfs/dbraw/zinc/05/21/61/656052161.db2.gz PEAJTCUYRTUBOQ-VIFPVBQESA-N 1 2 280.332 -1.115 20 0 CAADLO NC(=O)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1COC(=O)N1 ZINC001024423082 656052178 /nfs/dbraw/zinc/05/21/78/656052178.db2.gz YABXUXGZJGSADI-BDAKNGLRSA-N 1 2 284.316 -1.449 20 0 CAADLO NC(=O)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1COC(=O)N1 ZINC001024423082 656052180 /nfs/dbraw/zinc/05/21/80/656052180.db2.gz YABXUXGZJGSADI-BDAKNGLRSA-N 1 2 284.316 -1.449 20 0 CAADLO NC(=O)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCNC1=O ZINC001024493370 656052216 /nfs/dbraw/zinc/05/22/16/656052216.db2.gz WPKRJWXZABBQRI-WDEREUQCSA-N 1 2 296.371 -1.031 20 0 CAADLO NC(=O)C[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCNC1=O ZINC001024493370 656052221 /nfs/dbraw/zinc/05/22/21/656052221.db2.gz WPKRJWXZABBQRI-WDEREUQCSA-N 1 2 296.371 -1.031 20 0 CAADLO NC(=O)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCCNC1=O ZINC001024493369 656052266 /nfs/dbraw/zinc/05/22/66/656052266.db2.gz WPKRJWXZABBQRI-QWRGUYRKSA-N 1 2 296.371 -1.031 20 0 CAADLO NC(=O)C[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCCNC1=O ZINC001024493369 656052268 /nfs/dbraw/zinc/05/22/68/656052268.db2.gz WPKRJWXZABBQRI-QWRGUYRKSA-N 1 2 296.371 -1.031 20 0 CAADLO CN1C[C@H](C(=O)NC[C@H]2CCCC[N@@H+]2CC(N)=O)CC1=O ZINC001024467444 656052277 /nfs/dbraw/zinc/05/22/77/656052277.db2.gz DUIIJLZZIOXFFW-GHMZBOCLSA-N 1 2 296.371 -1.079 20 0 CAADLO CN1C[C@H](C(=O)NC[C@H]2CCCC[N@H+]2CC(N)=O)CC1=O ZINC001024467444 656052280 /nfs/dbraw/zinc/05/22/80/656052280.db2.gz DUIIJLZZIOXFFW-GHMZBOCLSA-N 1 2 296.371 -1.079 20 0 CAADLO CN1C[C@@H](C(=O)NC[C@@H]2CCCC[N@@H+]2CC(N)=O)CC1=O ZINC001024467446 656052312 /nfs/dbraw/zinc/05/23/12/656052312.db2.gz DUIIJLZZIOXFFW-QWRGUYRKSA-N 1 2 296.371 -1.079 20 0 CAADLO CN1C[C@@H](C(=O)NC[C@@H]2CCCC[N@H+]2CC(N)=O)CC1=O ZINC001024467446 656052316 /nfs/dbraw/zinc/05/23/16/656052316.db2.gz DUIIJLZZIOXFFW-QWRGUYRKSA-N 1 2 296.371 -1.079 20 0 CAADLO CO[C@H](C)C(=O)N1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001024411684 656052366 /nfs/dbraw/zinc/05/23/66/656052366.db2.gz RRNLDGPMTPCVPE-GMTAPVOTSA-N 1 2 296.327 -1.394 20 0 CAADLO CSCC(=O)N1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001024411597 656052472 /nfs/dbraw/zinc/05/24/72/656052472.db2.gz OYQJVLLIIAMZCP-NXEZZACHSA-N 1 2 298.368 -1.066 20 0 CAADLO CC(=O)N1CC(C(=O)NC[C@@H]2CCCC[N@@H+]2CC(N)=O)C1 ZINC001024411081 656052512 /nfs/dbraw/zinc/05/25/12/656052512.db2.gz NCEKJGRFZBXGFW-LBPRGKRZSA-N 1 2 296.371 -1.079 20 0 CAADLO CC(=O)N1CC(C(=O)NC[C@@H]2CCCC[N@H+]2CC(N)=O)C1 ZINC001024411081 656052516 /nfs/dbraw/zinc/05/25/16/656052516.db2.gz NCEKJGRFZBXGFW-LBPRGKRZSA-N 1 2 296.371 -1.079 20 0 CAADLO NC(=O)C(=O)N1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001024414477 656052552 /nfs/dbraw/zinc/05/25/52/656052552.db2.gz NNFVJGUKNFMGFT-HTQZYQBOSA-N 1 2 281.272 -2.944 20 0 CAADLO NC(=O)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC(=O)NC1 ZINC001024520530 656053056 /nfs/dbraw/zinc/05/30/56/656053056.db2.gz KSXASTGLLGNWPB-WDEREUQCSA-N 1 2 296.371 -1.031 20 0 CAADLO NC(=O)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC(=O)NC1 ZINC001024520530 656053061 /nfs/dbraw/zinc/05/30/61/656053061.db2.gz KSXASTGLLGNWPB-WDEREUQCSA-N 1 2 296.371 -1.031 20 0 CAADLO CNC(=O)C[N@@H+]1CCCC[C@H]1CNC(=O)c1nnn(C)n1 ZINC001024608191 656054183 /nfs/dbraw/zinc/05/41/83/656054183.db2.gz NOBSUZOWROXEFM-VIFPVBQESA-N 1 2 295.347 -1.460 20 0 CAADLO CNC(=O)C[N@H+]1CCCC[C@H]1CNC(=O)c1nnn(C)n1 ZINC001024608191 656054185 /nfs/dbraw/zinc/05/41/85/656054185.db2.gz NOBSUZOWROXEFM-VIFPVBQESA-N 1 2 295.347 -1.460 20 0 CAADLO CN1CC[C@@H](C(=O)NC[C@@H]2CCCC[N@@H+]2CC(N)=O)C1=O ZINC001024604097 656054254 /nfs/dbraw/zinc/05/42/54/656054254.db2.gz JLJNPHQIXCTGRD-QWRGUYRKSA-N 1 2 296.371 -1.079 20 0 CAADLO CN1CC[C@@H](C(=O)NC[C@@H]2CCCC[N@H+]2CC(N)=O)C1=O ZINC001024604097 656054257 /nfs/dbraw/zinc/05/42/57/656054257.db2.gz JLJNPHQIXCTGRD-QWRGUYRKSA-N 1 2 296.371 -1.079 20 0 CAADLO NC(=O)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001024656023 656054284 /nfs/dbraw/zinc/05/42/84/656054284.db2.gz GGNFIMVXPUMDFW-BBBLOLIVSA-N 1 2 282.344 -1.436 20 0 CAADLO NC(=O)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001024656023 656054287 /nfs/dbraw/zinc/05/42/87/656054287.db2.gz GGNFIMVXPUMDFW-BBBLOLIVSA-N 1 2 282.344 -1.436 20 0 CAADLO CN(C[C@@H](O)C[NH+]1CCOCC1)[C@@H]1CCOC1=O ZINC000177356192 656054410 /nfs/dbraw/zinc/05/44/10/656054410.db2.gz YPVVMWDYJDWCEM-GHMZBOCLSA-N 1 2 258.318 -1.073 20 0 CAADLO NC(=O)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CNC(=O)N1 ZINC001024626424 656054438 /nfs/dbraw/zinc/05/44/38/656054438.db2.gz DKHQWCNZTKFISY-IUCAKERBSA-N 1 2 283.332 -1.876 20 0 CAADLO NC(=O)C[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CNC(=O)N1 ZINC001024626424 656054440 /nfs/dbraw/zinc/05/44/40/656054440.db2.gz DKHQWCNZTKFISY-IUCAKERBSA-N 1 2 283.332 -1.876 20 0 CAADLO NC(=O)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCC(=O)N1 ZINC001024770007 656054636 /nfs/dbraw/zinc/05/46/36/656054636.db2.gz NZENDFCOLCEXAT-UWVGGRQHSA-N 1 2 282.344 -1.279 20 0 CAADLO NC(=O)C[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCC(=O)N1 ZINC001024770007 656054638 /nfs/dbraw/zinc/05/46/38/656054638.db2.gz NZENDFCOLCEXAT-UWVGGRQHSA-N 1 2 282.344 -1.279 20 0 CAADLO Cn1nnc(C[NH2+]C[C@H]2CCCCN2C(=O)CC(N)=O)n1 ZINC001024905815 656055577 /nfs/dbraw/zinc/05/55/77/656055577.db2.gz JUMFOENAVBLXNG-SECBINFHSA-N 1 2 295.347 -1.444 20 0 CAADLO CNC(=O)C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCCNC2=O)C1 ZINC001007532014 656059290 /nfs/dbraw/zinc/05/92/90/656059290.db2.gz ONKJQFBMQIKUEE-WDEREUQCSA-N 1 2 296.371 -1.161 20 0 CAADLO CNC(=O)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCCNC2=O)C1 ZINC001007532014 656059293 /nfs/dbraw/zinc/05/92/93/656059293.db2.gz ONKJQFBMQIKUEE-WDEREUQCSA-N 1 2 296.371 -1.161 20 0 CAADLO CN1CC[C@@H](CC(=O)N[C@@H]2CCC[N@H+](CC(N)=O)C2)C1=O ZINC001007560510 656059992 /nfs/dbraw/zinc/05/99/92/656059992.db2.gz GUCRWYDZKJQTOL-WDEREUQCSA-N 1 2 296.371 -1.079 20 0 CAADLO CN1CC[C@@H](CC(=O)N[C@@H]2CCC[N@@H+](CC(N)=O)C2)C1=O ZINC001007560510 656059994 /nfs/dbraw/zinc/05/99/94/656059994.db2.gz GUCRWYDZKJQTOL-WDEREUQCSA-N 1 2 296.371 -1.079 20 0 CAADLO NC(=O)CC(=O)N1C[C@@H](O)[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001025300113 656060077 /nfs/dbraw/zinc/06/00/77/656060077.db2.gz BBOPNXYRVFFYCA-HTQZYQBOSA-N 1 2 295.299 -2.485 20 0 CAADLO NC(=O)C(=O)N[C@H]1C[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000973421927 656060710 /nfs/dbraw/zinc/06/07/10/656060710.db2.gz NDNITWWCZXYURN-ZKCHVHJHSA-N 1 2 265.273 -1.868 20 0 CAADLO Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](O)[C@H](NC(=O)C(N)=O)C1 ZINC001025381277 656062532 /nfs/dbraw/zinc/06/25/32/656062532.db2.gz HVUSOVLBMMHWRH-RKDXNWHRSA-N 1 2 295.299 -2.566 20 0 CAADLO NC(=O)C(=O)N[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1O ZINC001025383053 656063276 /nfs/dbraw/zinc/06/32/76/656063276.db2.gz LDYIIQSRFCTRGN-HTQZYQBOSA-N 1 2 281.272 -2.875 20 0 CAADLO NC(=O)C(=O)N[C@H]1C[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC000973533553 656064975 /nfs/dbraw/zinc/06/49/75/656064975.db2.gz DBEQRXYSLYGWDT-LJGSYFOKSA-N 1 2 265.273 -1.799 20 0 CAADLO O=C(Cc1c[nH]c[nH+]1)N[C@@H]1CN(C(=O)C(F)F)C[C@H]1O ZINC001025803942 656068138 /nfs/dbraw/zinc/06/81/38/656068138.db2.gz SHMOJFUQUOSRLD-HTQZYQBOSA-N 1 2 288.254 -1.095 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCC(=O)NC2)C1 ZINC001007737125 656068251 /nfs/dbraw/zinc/06/82/51/656068251.db2.gz JJCLQRPGTDUDDL-ZJUUUORDSA-N 1 2 282.344 -1.422 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCC(=O)NC2)C1 ZINC001007737125 656068254 /nfs/dbraw/zinc/06/82/54/656068254.db2.gz JJCLQRPGTDUDDL-ZJUUUORDSA-N 1 2 282.344 -1.422 20 0 CAADLO C[C@@H]1C[C@H](NC(=O)C(N)=O)CC[N@@H+]1Cc1nc(=O)n(C)[nH]1 ZINC000947672522 656073650 /nfs/dbraw/zinc/07/36/50/656073650.db2.gz VCDXQIOPTBFPMI-HTQZYQBOSA-N 1 2 296.331 -1.937 20 0 CAADLO C[C@@H]1C[C@H](NC(=O)C(N)=O)CC[N@H+]1Cc1nc(=O)n(C)[nH]1 ZINC000947672522 656073652 /nfs/dbraw/zinc/07/36/52/656073652.db2.gz VCDXQIOPTBFPMI-HTQZYQBOSA-N 1 2 296.331 -1.937 20 0 CAADLO CN(C)C(=O)C[N@@H+]1CCC[C@H](NC(=O)c2nnn(C)n2)C1 ZINC001008214805 656074014 /nfs/dbraw/zinc/07/40/14/656074014.db2.gz PSCBCRVTGNRLKU-VIFPVBQESA-N 1 2 295.347 -1.508 20 0 CAADLO CN(C)C(=O)C[N@H+]1CCC[C@H](NC(=O)c2nnn(C)n2)C1 ZINC001008214805 656074017 /nfs/dbraw/zinc/07/40/17/656074017.db2.gz PSCBCRVTGNRLKU-VIFPVBQESA-N 1 2 295.347 -1.508 20 0 CAADLO Cn1nnc(C(=O)N[C@@H]2CCC[N@@H+]([C@@H]3CCNC3=O)C2)n1 ZINC001008214518 656074285 /nfs/dbraw/zinc/07/42/85/656074285.db2.gz OTPQTMWXYHMBKL-RKDXNWHRSA-N 1 2 293.331 -1.707 20 0 CAADLO Cn1nnc(C(=O)N[C@@H]2CCC[N@H+]([C@@H]3CCNC3=O)C2)n1 ZINC001008214518 656074287 /nfs/dbraw/zinc/07/42/87/656074287.db2.gz OTPQTMWXYHMBKL-RKDXNWHRSA-N 1 2 293.331 -1.707 20 0 CAADLO CN1CC[C@@H](C(=O)N[C@@H]2CCC[N@H+](CC(N)=O)C2)C1=O ZINC001008245244 656074630 /nfs/dbraw/zinc/07/46/30/656074630.db2.gz CHXBOSDZZAEUAS-ZJUUUORDSA-N 1 2 282.344 -1.469 20 0 CAADLO CN1CC[C@@H](C(=O)N[C@@H]2CCC[N@@H+](CC(N)=O)C2)C1=O ZINC001008245244 656074633 /nfs/dbraw/zinc/07/46/33/656074633.db2.gz CHXBOSDZZAEUAS-ZJUUUORDSA-N 1 2 282.344 -1.469 20 0 CAADLO NC(=O)C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)Cc3ncn[nH]3)C[C@@H]12 ZINC001026399370 656074775 /nfs/dbraw/zinc/07/47/75/656074775.db2.gz ULGXKLBDRDCCTA-OPRDCNLKSA-N 1 2 292.343 -1.341 20 0 CAADLO NC(=O)C[NH2+][C@@H]1CC[C@H]2CN(C(=O)Cc3ncn[nH]3)C[C@@H]21 ZINC001026399369 656074792 /nfs/dbraw/zinc/07/47/92/656074792.db2.gz ULGXKLBDRDCCTA-LPEHRKFASA-N 1 2 292.343 -1.341 20 0 CAADLO CN1CC[C@H](C(=O)N[C@@H]2CCC[N@H+](CC(N)=O)C2)C1=O ZINC001008245232 656074873 /nfs/dbraw/zinc/07/48/73/656074873.db2.gz CHXBOSDZZAEUAS-NXEZZACHSA-N 1 2 282.344 -1.469 20 0 CAADLO CN1CC[C@H](C(=O)N[C@@H]2CCC[N@@H+](CC(N)=O)C2)C1=O ZINC001008245232 656074874 /nfs/dbraw/zinc/07/48/74/656074874.db2.gz CHXBOSDZZAEUAS-NXEZZACHSA-N 1 2 282.344 -1.469 20 0 CAADLO Cn1cc(C[N@@H+]2CCC[C@H](NC(=O)C(N)=O)C2)cn1 ZINC001008358406 656075170 /nfs/dbraw/zinc/07/51/70/656075170.db2.gz ABNLWWKFNSLDOM-JTQLQIEISA-N 1 2 265.317 -1.014 20 0 CAADLO Cn1cc(C[N@H+]2CCC[C@H](NC(=O)C(N)=O)C2)cn1 ZINC001008358406 656075173 /nfs/dbraw/zinc/07/51/73/656075173.db2.gz ABNLWWKFNSLDOM-JTQLQIEISA-N 1 2 265.317 -1.014 20 0 CAADLO CN(C(=O)C[N@@H+]1CCC[C@H](NC(=O)C(N)=O)C1)C1CC1 ZINC001008364718 656075210 /nfs/dbraw/zinc/07/52/10/656075210.db2.gz JSGRCWCTLSWOBL-VIFPVBQESA-N 1 2 282.344 -1.327 20 0 CAADLO CN(C(=O)C[N@H+]1CCC[C@H](NC(=O)C(N)=O)C1)C1CC1 ZINC001008364718 656075213 /nfs/dbraw/zinc/07/52/13/656075213.db2.gz JSGRCWCTLSWOBL-VIFPVBQESA-N 1 2 282.344 -1.327 20 0 CAADLO C[C@H](C(=O)N(C)C)[N@@H+]1CCC[C@@H](NC(=O)C(N)=O)C1 ZINC001008373340 656075778 /nfs/dbraw/zinc/07/57/78/656075778.db2.gz QWHVRQYDKUIKCT-RKDXNWHRSA-N 1 2 270.333 -1.471 20 0 CAADLO C[C@H](C(=O)N(C)C)[N@H+]1CCC[C@@H](NC(=O)C(N)=O)C1 ZINC001008373340 656075781 /nfs/dbraw/zinc/07/57/81/656075781.db2.gz QWHVRQYDKUIKCT-RKDXNWHRSA-N 1 2 270.333 -1.471 20 0 CAADLO CN(C)C(=O)C[N@@H+]1CCC[C@H](NC(=O)C(N)=O)C1 ZINC001008369535 656076019 /nfs/dbraw/zinc/07/60/19/656076019.db2.gz GHXZUWIEFXGIMA-QMMMGPOBSA-N 1 2 256.306 -1.860 20 0 CAADLO CN(C)C(=O)C[N@H+]1CCC[C@H](NC(=O)C(N)=O)C1 ZINC001008369535 656076020 /nfs/dbraw/zinc/07/60/20/656076020.db2.gz GHXZUWIEFXGIMA-QMMMGPOBSA-N 1 2 256.306 -1.860 20 0 CAADLO Cn1ccc(C[NH+]2CCN(C(=O)C(N)=O)CC2)cc1=O ZINC000949967350 656077332 /nfs/dbraw/zinc/07/73/32/656077332.db2.gz WPRZVZOEXZMZHZ-UHFFFAOYSA-N 1 2 278.312 -1.485 20 0 CAADLO CNC(=O)C[N@@H+]1CCC[C@H](NC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001008544439 656077709 /nfs/dbraw/zinc/07/77/09/656077709.db2.gz APQXCGMTHXLPHZ-AEJSXWLSSA-N 1 2 282.344 -1.566 20 0 CAADLO CNC(=O)C[N@H+]1CCC[C@H](NC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001008544439 656077714 /nfs/dbraw/zinc/07/77/14/656077714.db2.gz APQXCGMTHXLPHZ-AEJSXWLSSA-N 1 2 282.344 -1.566 20 0 CAADLO CC1(C)CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1NC(=O)C(N)=O ZINC001008530829 656077863 /nfs/dbraw/zinc/07/78/63/656077863.db2.gz GCROYLNVEUQNQL-MRVPVSSYSA-N 1 2 293.327 -1.209 20 0 CAADLO Cn1oc(C(=O)N[C@H]2C[N@H+](CC(N)=O)CC2(C)C)cc1=O ZINC000974500139 656078361 /nfs/dbraw/zinc/07/83/61/656078361.db2.gz QXLFXZIMFUEOME-VIFPVBQESA-N 1 2 296.327 -1.096 20 0 CAADLO Cn1oc(C(=O)N[C@H]2C[N@@H+](CC(N)=O)CC2(C)C)cc1=O ZINC000974500139 656078363 /nfs/dbraw/zinc/07/83/63/656078363.db2.gz QXLFXZIMFUEOME-VIFPVBQESA-N 1 2 296.327 -1.096 20 0 CAADLO NC(=O)C(=O)N1C[C@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]21 ZINC000974955536 656079549 /nfs/dbraw/zinc/07/95/49/656079549.db2.gz JIDXVJDOFUZOKU-RKDXNWHRSA-N 1 2 291.311 -1.503 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)c2nnn(C)n2)C(C)(C)C1 ZINC000974934312 656079593 /nfs/dbraw/zinc/07/95/93/656079593.db2.gz HLGNAELCQFZZKH-HTQZYQBOSA-N 1 2 295.347 -1.476 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)c2nnn(C)n2)C(C)(C)C1 ZINC000974934312 656079595 /nfs/dbraw/zinc/07/95/95/656079595.db2.gz HLGNAELCQFZZKH-HTQZYQBOSA-N 1 2 295.347 -1.476 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)c2nnn(C)n2)C(C)(C)C1 ZINC000974934317 656079927 /nfs/dbraw/zinc/07/99/27/656079927.db2.gz HLGNAELCQFZZKH-JGVFFNPUSA-N 1 2 295.347 -1.476 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)c2nnn(C)n2)C(C)(C)C1 ZINC000974934317 656079928 /nfs/dbraw/zinc/07/99/28/656079928.db2.gz HLGNAELCQFZZKH-JGVFFNPUSA-N 1 2 295.347 -1.476 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1C[C@H](NC(=O)c2nnn(C)n2)C(C)(C)C1 ZINC000974934328 656079963 /nfs/dbraw/zinc/07/99/63/656079963.db2.gz HLGNAELCQFZZKH-YUMQZZPRSA-N 1 2 295.347 -1.476 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1C[C@H](NC(=O)c2nnn(C)n2)C(C)(C)C1 ZINC000974934328 656079965 /nfs/dbraw/zinc/07/99/65/656079965.db2.gz HLGNAELCQFZZKH-YUMQZZPRSA-N 1 2 295.347 -1.476 20 0 CAADLO C[C@H](C(=O)NC1CC1)[N@@H+]1C[C@@H](NC(=O)C(N)=O)C(C)(C)C1 ZINC000975010260 656080065 /nfs/dbraw/zinc/08/00/65/656080065.db2.gz STSXMLUNZTVVRC-PSASIEDQSA-N 1 2 296.371 -1.035 20 0 CAADLO C[C@H](C(=O)NC1CC1)[N@H+]1C[C@@H](NC(=O)C(N)=O)C(C)(C)C1 ZINC000975010260 656080067 /nfs/dbraw/zinc/08/00/67/656080067.db2.gz STSXMLUNZTVVRC-PSASIEDQSA-N 1 2 296.371 -1.035 20 0 CAADLO C[C@H](C(=O)NC1CC1)[N@@H+]1C[C@H](NC(=O)C(N)=O)C(C)(C)C1 ZINC000975010280 656080309 /nfs/dbraw/zinc/08/03/09/656080309.db2.gz STSXMLUNZTVVRC-SCZZXKLOSA-N 1 2 296.371 -1.035 20 0 CAADLO C[C@H](C(=O)NC1CC1)[N@H+]1C[C@H](NC(=O)C(N)=O)C(C)(C)C1 ZINC000975010280 656080311 /nfs/dbraw/zinc/08/03/11/656080311.db2.gz STSXMLUNZTVVRC-SCZZXKLOSA-N 1 2 296.371 -1.035 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@H](NC(=O)C[C@@H]2CCC(=O)N2)C1 ZINC001008842893 656080343 /nfs/dbraw/zinc/08/03/43/656080343.db2.gz AKOXNCCNSFOJGI-UWVGGRQHSA-N 1 2 282.344 -1.279 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@H](NC(=O)C[C@@H]2CCC(=O)N2)C1 ZINC001008842893 656080346 /nfs/dbraw/zinc/08/03/46/656080346.db2.gz AKOXNCCNSFOJGI-UWVGGRQHSA-N 1 2 282.344 -1.279 20 0 CAADLO C[C@@H](C(=O)NC1CC1)[N@@H+]1C[C@@H](NC(=O)C(N)=O)C(C)(C)C1 ZINC000975010296 656080399 /nfs/dbraw/zinc/08/03/99/656080399.db2.gz STSXMLUNZTVVRC-WCBMZHEXSA-N 1 2 296.371 -1.035 20 0 CAADLO C[C@@H](C(=O)NC1CC1)[N@H+]1C[C@@H](NC(=O)C(N)=O)C(C)(C)C1 ZINC000975010296 656080400 /nfs/dbraw/zinc/08/04/00/656080400.db2.gz STSXMLUNZTVVRC-WCBMZHEXSA-N 1 2 296.371 -1.035 20 0 CAADLO NC(=O)C(=O)N1CC[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)[C@@H]2C1 ZINC000975420813 656080815 /nfs/dbraw/zinc/08/08/15/656080815.db2.gz YEILPUZNPFUJKU-PSASIEDQSA-N 1 2 291.311 -1.503 20 0 CAADLO CNC(=O)C[N@@H+]1CCC[C@H](NC(=O)Cn2cnnn2)C1 ZINC001006686292 656081493 /nfs/dbraw/zinc/08/14/93/656081493.db2.gz SRBLYJDTHJICOK-VIFPVBQESA-N 1 2 281.320 -2.000 20 0 CAADLO CNC(=O)C[N@H+]1CCC[C@H](NC(=O)Cn2cnnn2)C1 ZINC001006686292 656081494 /nfs/dbraw/zinc/08/14/94/656081494.db2.gz SRBLYJDTHJICOK-VIFPVBQESA-N 1 2 281.320 -2.000 20 0 CAADLO CC(=O)N1CC[C@@H](C(=O)N[C@@H]2CCC[N@H+](CC(N)=O)C2)C1 ZINC001009363166 656082081 /nfs/dbraw/zinc/08/20/81/656082081.db2.gz QCHMYMKDAZBZTM-VXGBXAGGSA-N 1 2 296.371 -1.079 20 0 CAADLO CC(=O)N1CC[C@@H](C(=O)N[C@@H]2CCC[N@@H+](CC(N)=O)C2)C1 ZINC001009363166 656082082 /nfs/dbraw/zinc/08/20/82/656082082.db2.gz QCHMYMKDAZBZTM-VXGBXAGGSA-N 1 2 296.371 -1.079 20 0 CAADLO CNC(=O)C[N@@H+]1CCC[C@H](NC(=O)CN2CCCC2=O)C1 ZINC001006707487 656083257 /nfs/dbraw/zinc/08/32/57/656083257.db2.gz SWGLMBUBXBSRAO-NSHDSACASA-N 1 2 296.371 -1.065 20 0 CAADLO CNC(=O)C[N@H+]1CCC[C@H](NC(=O)CN2CCCC2=O)C1 ZINC001006707487 656083259 /nfs/dbraw/zinc/08/32/59/656083259.db2.gz SWGLMBUBXBSRAO-NSHDSACASA-N 1 2 296.371 -1.065 20 0 CAADLO C[C@@H]1CCN(C(=O)C(=O)N2CC[NH+](CCO)CC2)C1 ZINC000957122571 656084282 /nfs/dbraw/zinc/08/42/82/656084282.db2.gz STPSTSXZTXXXPG-LLVKDONJSA-N 1 2 269.345 -1.009 20 0 CAADLO C[C@H]1CCN(C(=O)C(=O)N2CC[NH+](CCO)CC2)C1 ZINC000957122578 656084478 /nfs/dbraw/zinc/08/44/78/656084478.db2.gz STPSTSXZTXXXPG-NSHDSACASA-N 1 2 269.345 -1.009 20 0 CAADLO NC(=O)C(=O)N[C@@H]1CCCC[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC000976896978 656085019 /nfs/dbraw/zinc/08/50/19/656085019.db2.gz GQNYPMAADUNZEC-NXEZZACHSA-N 1 2 293.327 -1.088 20 0 CAADLO NC(=O)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1[nH]cc[nH+]1 ZINC000977050514 656085511 /nfs/dbraw/zinc/08/55/11/656085511.db2.gz CPEFUVDBPVQXFG-MTBHXBHISA-N 1 2 277.284 -1.990 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@@H](NC(=O)C[C@@H]2CC(=O)NC2=O)C1 ZINC001009760593 656089891 /nfs/dbraw/zinc/08/98/91/656089891.db2.gz JSSYYOSMFGTEPG-RKDXNWHRSA-N 1 2 296.327 -1.895 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@@H](NC(=O)C[C@@H]2CC(=O)NC2=O)C1 ZINC001009760593 656089894 /nfs/dbraw/zinc/08/98/94/656089894.db2.gz JSSYYOSMFGTEPG-RKDXNWHRSA-N 1 2 296.327 -1.895 20 0 CAADLO CC(=O)N[C@H]1CC[N@H+](CC(=O)N2CCNC(=O)C2)C1 ZINC001009789053 656090973 /nfs/dbraw/zinc/09/09/73/656090973.db2.gz WZJFUMPGCQQFOE-JTQLQIEISA-N 1 2 268.317 -1.845 20 0 CAADLO CC(=O)N[C@H]1CC[N@@H+](CC(=O)N2CCNC(=O)C2)C1 ZINC001009789053 656090979 /nfs/dbraw/zinc/09/09/79/656090979.db2.gz WZJFUMPGCQQFOE-JTQLQIEISA-N 1 2 268.317 -1.845 20 0 CAADLO C[C@H](O)[C@@H](O)C[NH+]1CCN([S@](C)(=N)=O)CC1 ZINC000931610387 656093115 /nfs/dbraw/zinc/09/31/15/656093115.db2.gz OMVCAJABZHTPKP-BEPCFFQHSA-N 1 2 251.352 -1.063 20 0 CAADLO C[C@H](O)[C@H](O)C[NH+]1CCN([S@](C)(=N)=O)CC1 ZINC000931610388 656093209 /nfs/dbraw/zinc/09/32/09/656093209.db2.gz OMVCAJABZHTPKP-DRTKUVKGSA-N 1 2 251.352 -1.063 20 0 CAADLO C[C@H](O)[C@H](O)C[NH+]1CCN([S@@](C)(=N)=O)CC1 ZINC000931610386 656093250 /nfs/dbraw/zinc/09/32/50/656093250.db2.gz OMVCAJABZHTPKP-AGRCIMAESA-N 1 2 251.352 -1.063 20 0 CAADLO NC(=O)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3ncn[nH]3)[C@@H]2C1 ZINC000978877310 656093590 /nfs/dbraw/zinc/09/35/90/656093590.db2.gz IKWXDNMGIKRLPK-WHUPJOBBSA-N 1 2 264.289 -1.802 20 0 CAADLO NC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3ncn[nH]3)[C@@H]2C1 ZINC000978877310 656093592 /nfs/dbraw/zinc/09/35/92/656093592.db2.gz IKWXDNMGIKRLPK-WHUPJOBBSA-N 1 2 264.289 -1.802 20 0 CAADLO NC(=O)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3nc[nH]n3)[C@@H]2C1 ZINC000978877310 656093593 /nfs/dbraw/zinc/09/35/93/656093593.db2.gz IKWXDNMGIKRLPK-WHUPJOBBSA-N 1 2 264.289 -1.802 20 0 CAADLO NC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3nc[nH]n3)[C@@H]2C1 ZINC000978877310 656093594 /nfs/dbraw/zinc/09/35/94/656093594.db2.gz IKWXDNMGIKRLPK-WHUPJOBBSA-N 1 2 264.289 -1.802 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cc[n+]([O-])cc1 ZINC001027742620 656094413 /nfs/dbraw/zinc/09/44/13/656094413.db2.gz UHNQRFAALVGNTN-LLVKDONJSA-N 1 2 278.312 -1.001 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)c1cc[n+]([O-])cc1 ZINC001027742620 656094417 /nfs/dbraw/zinc/09/44/17/656094417.db2.gz UHNQRFAALVGNTN-LLVKDONJSA-N 1 2 278.312 -1.001 20 0 CAADLO C[C@@H]([NH2+]Cc1csnn1)[C@@H]1CN(C(=O)C(N)=O)CCO1 ZINC000979358920 656094769 /nfs/dbraw/zinc/09/47/69/656094769.db2.gz MYNDZQDQFBQNHQ-APPZFPTMSA-N 1 2 299.356 -1.271 20 0 CAADLO CNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)c1nccnc1N ZINC001027799669 656094777 /nfs/dbraw/zinc/09/47/77/656094777.db2.gz IKKFKFMBRZVILA-SECBINFHSA-N 1 2 292.343 -1.001 20 0 CAADLO CNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)c1nccnc1N ZINC001027799669 656094781 /nfs/dbraw/zinc/09/47/81/656094781.db2.gz IKKFKFMBRZVILA-SECBINFHSA-N 1 2 292.343 -1.001 20 0 CAADLO C[C@H]([NH2+]Cc1cnsn1)[C@@H]1CN(C(=O)C(N)=O)CCO1 ZINC000979357772 656094826 /nfs/dbraw/zinc/09/48/26/656094826.db2.gz LHIBCNISIDGMFK-CBAPKCEASA-N 1 2 299.356 -1.271 20 0 CAADLO Cc1c(C(=O)NC[C@H]2CCC[N@@H+]2CC(N)=O)nnn1C ZINC001027803936 656094970 /nfs/dbraw/zinc/09/49/70/656094970.db2.gz RBNAXQCDHXPWKG-SECBINFHSA-N 1 2 280.332 -1.197 20 0 CAADLO Cc1c(C(=O)NC[C@H]2CCC[N@H+]2CC(N)=O)nnn1C ZINC001027803936 656094973 /nfs/dbraw/zinc/09/49/73/656094973.db2.gz RBNAXQCDHXPWKG-SECBINFHSA-N 1 2 280.332 -1.197 20 0 CAADLO Cc1nnc(C[NH2+][C@H](C)[C@@H]2CN(C(=O)C(N)=O)CCO2)o1 ZINC000979359701 656095037 /nfs/dbraw/zinc/09/50/37/656095037.db2.gz NMQNCPCUAJBKAU-APPZFPTMSA-N 1 2 297.315 -1.431 20 0 CAADLO C[C@H]([NH2+]Cc1csnn1)[C@H]1CN(C(=O)C(N)=O)CCO1 ZINC000979358926 656095083 /nfs/dbraw/zinc/09/50/83/656095083.db2.gz MYNDZQDQFBQNHQ-IONNQARKSA-N 1 2 299.356 -1.271 20 0 CAADLO Cn1cnc(C(=O)NC[C@@H]2CCC[N@@H+]2CC(N)=O)n1 ZINC001027866723 656097128 /nfs/dbraw/zinc/09/71/28/656097128.db2.gz CSHWYSRRGVCQDR-QMMMGPOBSA-N 1 2 266.305 -1.505 20 0 CAADLO Cn1cnc(C(=O)NC[C@@H]2CCC[N@H+]2CC(N)=O)n1 ZINC001027866723 656097132 /nfs/dbraw/zinc/09/71/32/656097132.db2.gz CSHWYSRRGVCQDR-QMMMGPOBSA-N 1 2 266.305 -1.505 20 0 CAADLO CCn1ncc(C(=O)NC[C@H]2CCC[N@@H+]2CC(N)=O)n1 ZINC001027869601 656097304 /nfs/dbraw/zinc/09/73/04/656097304.db2.gz JQKUIRPLDPZKKP-SECBINFHSA-N 1 2 280.332 -1.023 20 0 CAADLO CCn1ncc(C(=O)NC[C@H]2CCC[N@H+]2CC(N)=O)n1 ZINC001027869601 656097306 /nfs/dbraw/zinc/09/73/06/656097306.db2.gz JQKUIRPLDPZKKP-SECBINFHSA-N 1 2 280.332 -1.023 20 0 CAADLO CNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)c1cn(C)nn1 ZINC001027860992 656097359 /nfs/dbraw/zinc/09/73/59/656097359.db2.gz OUFNGEHHYBMXBN-VIFPVBQESA-N 1 2 280.332 -1.245 20 0 CAADLO CNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)c1cn(C)nn1 ZINC001027860992 656097360 /nfs/dbraw/zinc/09/73/60/656097360.db2.gz OUFNGEHHYBMXBN-VIFPVBQESA-N 1 2 280.332 -1.245 20 0 CAADLO Cn1nncc1C(=O)NC[C@@H]1CCC[N@@H+]1CC(N)=O ZINC001027855274 656097555 /nfs/dbraw/zinc/09/75/55/656097555.db2.gz ATHXCDBAUANGOQ-QMMMGPOBSA-N 1 2 266.305 -1.505 20 0 CAADLO Cn1nncc1C(=O)NC[C@@H]1CCC[N@H+]1CC(N)=O ZINC001027855274 656097560 /nfs/dbraw/zinc/09/75/60/656097560.db2.gz ATHXCDBAUANGOQ-QMMMGPOBSA-N 1 2 266.305 -1.505 20 0 CAADLO Cn1cnc(C(=O)NC[C@H]2CCC[N@@H+]2CC(N)=O)n1 ZINC001027866722 656097646 /nfs/dbraw/zinc/09/76/46/656097646.db2.gz CSHWYSRRGVCQDR-MRVPVSSYSA-N 1 2 266.305 -1.505 20 0 CAADLO Cn1cnc(C(=O)NC[C@H]2CCC[N@H+]2CC(N)=O)n1 ZINC001027866722 656097648 /nfs/dbraw/zinc/09/76/48/656097648.db2.gz CSHWYSRRGVCQDR-MRVPVSSYSA-N 1 2 266.305 -1.505 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cc2n(n1)CCO2 ZINC001027934800 656098412 /nfs/dbraw/zinc/09/84/12/656098412.db2.gz YWWZKBKAPSOUKW-SECBINFHSA-N 1 2 293.327 -1.045 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)c1cc2n(n1)CCO2 ZINC001027934800 656098415 /nfs/dbraw/zinc/09/84/15/656098415.db2.gz YWWZKBKAPSOUKW-SECBINFHSA-N 1 2 293.327 -1.045 20 0 CAADLO NC(=O)C(=O)NC1CCC(NC(=O)Cn2cc[nH+]c2)CC1 ZINC000980329144 656098892 /nfs/dbraw/zinc/09/88/92/656098892.db2.gz CSTHSKBDMXMIQE-UHFFFAOYSA-N 1 2 293.327 -1.088 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CCCN(C(=O)Cn2cnnn2)CC1 ZINC000980677431 656099800 /nfs/dbraw/zinc/09/98/00/656099800.db2.gz MLAPBXXATMBSEG-VIFPVBQESA-N 1 2 281.320 -1.919 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CCCN(C(=O)Cn2cnnn2)CC1 ZINC000980677431 656099803 /nfs/dbraw/zinc/09/98/03/656099803.db2.gz MLAPBXXATMBSEG-VIFPVBQESA-N 1 2 281.320 -1.919 20 0 CAADLO O=C([C@@H]1COCCO1)N1CCC[N@@H+]([C@H]2CCNC2=O)CC1 ZINC000980739834 656100243 /nfs/dbraw/zinc/10/02/43/656100243.db2.gz DHXQMLZHFLZZEJ-RYUDHWBXSA-N 1 2 297.355 -1.175 20 0 CAADLO O=C([C@@H]1COCCO1)N1CCC[N@H+]([C@H]2CCNC2=O)CC1 ZINC000980739834 656100245 /nfs/dbraw/zinc/10/02/45/656100245.db2.gz DHXQMLZHFLZZEJ-RYUDHWBXSA-N 1 2 297.355 -1.175 20 0 CAADLO Cn1cc(CC(=O)N2CCC[N@H+](CC(N)=O)CC2)cn1 ZINC000980821137 656100310 /nfs/dbraw/zinc/10/03/10/656100310.db2.gz ZBDGXIWACAIMKX-UHFFFAOYSA-N 1 2 279.344 -1.018 20 0 CAADLO Cn1cc(CC(=O)N2CCC[N@@H+](CC(N)=O)CC2)cn1 ZINC000980821137 656100322 /nfs/dbraw/zinc/10/03/22/656100322.db2.gz ZBDGXIWACAIMKX-UHFFFAOYSA-N 1 2 279.344 -1.018 20 0 CAADLO O=C([C@@H]1COCCO1)N1CCC[N@@H+]([C@@H]2CCNC2=O)CC1 ZINC000980739832 656100652 /nfs/dbraw/zinc/10/06/52/656100652.db2.gz DHXQMLZHFLZZEJ-NEPJUHHUSA-N 1 2 297.355 -1.175 20 0 CAADLO O=C([C@@H]1COCCO1)N1CCC[N@H+]([C@@H]2CCNC2=O)CC1 ZINC000980739832 656100655 /nfs/dbraw/zinc/10/06/55/656100655.db2.gz DHXQMLZHFLZZEJ-NEPJUHHUSA-N 1 2 297.355 -1.175 20 0 CAADLO O=C(C[N@@H+]1CC[C@H](NC(=O)[C@@H]2COCCO2)C1)NC1CC1 ZINC001010251930 656100854 /nfs/dbraw/zinc/10/08/54/656100854.db2.gz HZFPUCVLFQYVRP-RYUDHWBXSA-N 1 2 297.355 -1.129 20 0 CAADLO O=C(C[N@H+]1CC[C@H](NC(=O)[C@@H]2COCCO2)C1)NC1CC1 ZINC001010251930 656100859 /nfs/dbraw/zinc/10/08/59/656100859.db2.gz HZFPUCVLFQYVRP-RYUDHWBXSA-N 1 2 297.355 -1.129 20 0 CAADLO Cn1nncc1C[N@@H+]1CCCN(C(=O)CC(N)=O)CC1 ZINC000980872789 656101014 /nfs/dbraw/zinc/10/10/14/656101014.db2.gz VURYMCPXCIMPTA-UHFFFAOYSA-N 1 2 280.332 -1.275 20 0 CAADLO Cn1nncc1C[N@H+]1CCCN(C(=O)CC(N)=O)CC1 ZINC000980872789 656101015 /nfs/dbraw/zinc/10/10/15/656101015.db2.gz VURYMCPXCIMPTA-UHFFFAOYSA-N 1 2 280.332 -1.275 20 0 CAADLO C[C@H](C(N)=O)N1CCCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000980892987 656101367 /nfs/dbraw/zinc/10/13/67/656101367.db2.gz CYWSDCWEQBUSHE-NEPJUHHUSA-N 1 2 298.387 -1.275 20 0 CAADLO C[C@H](C(N)=O)N1CCCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000980892987 656101371 /nfs/dbraw/zinc/10/13/71/656101371.db2.gz CYWSDCWEQBUSHE-NEPJUHHUSA-N 1 2 298.387 -1.275 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CCCN(C(=O)[C@H]2CCC(=O)N2)CC1 ZINC000980840316 656101410 /nfs/dbraw/zinc/10/14/10/656101410.db2.gz XLNHUVODVMBNHH-NXEZZACHSA-N 1 2 282.344 -1.327 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CCCN(C(=O)[C@H]2CCC(=O)N2)CC1 ZINC000980840316 656101415 /nfs/dbraw/zinc/10/14/15/656101415.db2.gz XLNHUVODVMBNHH-NXEZZACHSA-N 1 2 282.344 -1.327 20 0 CAADLO O=C(C[N@@H+]1CC[C@@H](NC(=O)[C@H]2COCCO2)C1)NC1CC1 ZINC001010251932 656101477 /nfs/dbraw/zinc/10/14/77/656101477.db2.gz HZFPUCVLFQYVRP-VXGBXAGGSA-N 1 2 297.355 -1.129 20 0 CAADLO O=C(C[N@H+]1CC[C@@H](NC(=O)[C@H]2COCCO2)C1)NC1CC1 ZINC001010251932 656101479 /nfs/dbraw/zinc/10/14/79/656101479.db2.gz HZFPUCVLFQYVRP-VXGBXAGGSA-N 1 2 297.355 -1.129 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CCCN(C(=O)[C@H]2CCNC(=O)C2)CC1 ZINC000980962784 656101741 /nfs/dbraw/zinc/10/17/41/656101741.db2.gz MTZNLAJDGAJIDP-MNOVXSKESA-N 1 2 296.371 -1.079 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CCCN(C(=O)[C@H]2CCNC(=O)C2)CC1 ZINC000980962784 656101745 /nfs/dbraw/zinc/10/17/45/656101745.db2.gz MTZNLAJDGAJIDP-MNOVXSKESA-N 1 2 296.371 -1.079 20 0 CAADLO CN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2COCCO2)C1 ZINC001010261263 656101936 /nfs/dbraw/zinc/10/19/36/656101936.db2.gz YPMJZBKDSQEYBF-QWRGUYRKSA-N 1 2 285.344 -1.320 20 0 CAADLO CN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H]2COCCO2)C1 ZINC001010261263 656101938 /nfs/dbraw/zinc/10/19/38/656101938.db2.gz YPMJZBKDSQEYBF-QWRGUYRKSA-N 1 2 285.344 -1.320 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CCCN(C(=O)[C@H]2COCCN2C)CC1 ZINC000981010892 656101948 /nfs/dbraw/zinc/10/19/48/656101948.db2.gz VEHPGMNTUAJCLG-NWDGAFQWSA-N 1 2 298.387 -1.275 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CCCN(C(=O)[C@H]2COCCN2C)CC1 ZINC000981010892 656101951 /nfs/dbraw/zinc/10/19/51/656101951.db2.gz VEHPGMNTUAJCLG-NWDGAFQWSA-N 1 2 298.387 -1.275 20 0 CAADLO NC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2CCNC(=O)C2)CC1 ZINC000980964564 656101975 /nfs/dbraw/zinc/10/19/75/656101975.db2.gz UNHAQKBKSKKNKK-SNVBAGLBSA-N 1 2 282.344 -1.468 20 0 CAADLO NC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2CCNC(=O)C2)CC1 ZINC000980964564 656101980 /nfs/dbraw/zinc/10/19/80/656101980.db2.gz UNHAQKBKSKKNKK-SNVBAGLBSA-N 1 2 282.344 -1.468 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CCCN(C(=O)[C@H]2CCNC(=O)C2)CC1 ZINC000980962785 656102014 /nfs/dbraw/zinc/10/20/14/656102014.db2.gz MTZNLAJDGAJIDP-QWRGUYRKSA-N 1 2 296.371 -1.079 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CCCN(C(=O)[C@H]2CCNC(=O)C2)CC1 ZINC000980962785 656102015 /nfs/dbraw/zinc/10/20/15/656102015.db2.gz MTZNLAJDGAJIDP-QWRGUYRKSA-N 1 2 296.371 -1.079 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CCCN(C(=O)[C@@H]2COC(=O)N2)CC1 ZINC000981060415 656102212 /nfs/dbraw/zinc/10/22/12/656102212.db2.gz ZCMILZAJELEXDZ-IUCAKERBSA-N 1 2 284.316 -1.497 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CCCN(C(=O)[C@@H]2COC(=O)N2)CC1 ZINC000981060415 656102214 /nfs/dbraw/zinc/10/22/14/656102214.db2.gz ZCMILZAJELEXDZ-IUCAKERBSA-N 1 2 284.316 -1.497 20 0 CAADLO C[C@@H](C(=O)N1CCC[N@H+](CC(N)=O)CC1)n1cncn1 ZINC000981009741 656102241 /nfs/dbraw/zinc/10/22/41/656102241.db2.gz IKYBSNVDHCQAFD-JTQLQIEISA-N 1 2 280.332 -1.141 20 0 CAADLO C[C@@H](C(=O)N1CCC[N@@H+](CC(N)=O)CC1)n1cncn1 ZINC000981009741 656102245 /nfs/dbraw/zinc/10/22/45/656102245.db2.gz IKYBSNVDHCQAFD-JTQLQIEISA-N 1 2 280.332 -1.141 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CCCN(C(=O)[C@@H]2COCCN2C)CC1 ZINC000981010893 656102259 /nfs/dbraw/zinc/10/22/59/656102259.db2.gz VEHPGMNTUAJCLG-RYUDHWBXSA-N 1 2 298.387 -1.275 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CCCN(C(=O)[C@@H]2COCCN2C)CC1 ZINC000981010893 656102261 /nfs/dbraw/zinc/10/22/61/656102261.db2.gz VEHPGMNTUAJCLG-RYUDHWBXSA-N 1 2 298.387 -1.275 20 0 CAADLO NC(=O)C[N@@H+]1CCCN(C(=O)C[C@@H]2COC(=O)C2)CC1 ZINC000980973659 656102315 /nfs/dbraw/zinc/10/23/15/656102315.db2.gz KFPUMBRRCJIHGJ-JTQLQIEISA-N 1 2 283.328 -1.041 20 0 CAADLO NC(=O)C[N@H+]1CCCN(C(=O)C[C@@H]2COC(=O)C2)CC1 ZINC000980973659 656102321 /nfs/dbraw/zinc/10/23/21/656102321.db2.gz KFPUMBRRCJIHGJ-JTQLQIEISA-N 1 2 283.328 -1.041 20 0 CAADLO NC(=O)C[N@@H+]1CCCN(C(=O)C[C@H]2COC(=O)C2)CC1 ZINC000980973661 656102334 /nfs/dbraw/zinc/10/23/34/656102334.db2.gz KFPUMBRRCJIHGJ-SNVBAGLBSA-N 1 2 283.328 -1.041 20 0 CAADLO NC(=O)C[N@H+]1CCCN(C(=O)C[C@H]2COC(=O)C2)CC1 ZINC000980973661 656102338 /nfs/dbraw/zinc/10/23/38/656102338.db2.gz KFPUMBRRCJIHGJ-SNVBAGLBSA-N 1 2 283.328 -1.041 20 0 CAADLO NC(=O)C[N@@H+]1CCCN(C(=O)CO[C@@H]2CCOC2)CC1 ZINC000981148273 656102430 /nfs/dbraw/zinc/10/24/30/656102430.db2.gz GNYZWJVBINETAM-LLVKDONJSA-N 1 2 285.344 -1.189 20 0 CAADLO NC(=O)C[N@H+]1CCCN(C(=O)CO[C@@H]2CCOC2)CC1 ZINC000981148273 656102432 /nfs/dbraw/zinc/10/24/32/656102432.db2.gz GNYZWJVBINETAM-LLVKDONJSA-N 1 2 285.344 -1.189 20 0 CAADLO Cn1cnc(C(=O)N2CCC[N@@H+]([C@H]3CCNC3=O)CC2)n1 ZINC000981105997 656102619 /nfs/dbraw/zinc/10/26/19/656102619.db2.gz PPBGKVGMPXOVFM-JTQLQIEISA-N 1 2 292.343 -1.149 20 0 CAADLO Cn1cnc(C(=O)N2CCC[N@H+]([C@H]3CCNC3=O)CC2)n1 ZINC000981105997 656102624 /nfs/dbraw/zinc/10/26/24/656102624.db2.gz PPBGKVGMPXOVFM-JTQLQIEISA-N 1 2 292.343 -1.149 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CCCN(C(=O)c2cnnn2C)CC1 ZINC000981069775 656102775 /nfs/dbraw/zinc/10/27/75/656102775.db2.gz BSIAYAHSKSMAND-VIFPVBQESA-N 1 2 280.332 -1.163 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CCCN(C(=O)c2cnnn2C)CC1 ZINC000981069775 656102777 /nfs/dbraw/zinc/10/27/77/656102777.db2.gz BSIAYAHSKSMAND-VIFPVBQESA-N 1 2 280.332 -1.163 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CCCN(C(=O)Cn2ncnn2)CC1 ZINC000981170891 656102799 /nfs/dbraw/zinc/10/27/99/656102799.db2.gz FQBVIAMLIHAUMX-VIFPVBQESA-N 1 2 281.320 -1.919 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CCCN(C(=O)Cn2ncnn2)CC1 ZINC000981170891 656102801 /nfs/dbraw/zinc/10/28/01/656102801.db2.gz FQBVIAMLIHAUMX-VIFPVBQESA-N 1 2 281.320 -1.919 20 0 CAADLO Cn1nncc1C(=O)N1CCC[N@@H+]([C@@H]2CCNC2=O)CC1 ZINC000981071915 656102876 /nfs/dbraw/zinc/10/28/76/656102876.db2.gz WSKXYEVATHSPDO-SNVBAGLBSA-N 1 2 292.343 -1.149 20 0 CAADLO Cn1nncc1C(=O)N1CCC[N@H+]([C@@H]2CCNC2=O)CC1 ZINC000981071915 656102878 /nfs/dbraw/zinc/10/28/78/656102878.db2.gz WSKXYEVATHSPDO-SNVBAGLBSA-N 1 2 292.343 -1.149 20 0 CAADLO O=C([C@@H]1COC(=O)N1)N1CCC[N@@H+]([C@H]2CCNC2=O)CC1 ZINC000981074451 656102882 /nfs/dbraw/zinc/10/28/82/656102882.db2.gz VTGFYCZXKXSNIG-UWVGGRQHSA-N 1 2 296.327 -1.482 20 0 CAADLO O=C([C@@H]1COC(=O)N1)N1CCC[N@H+]([C@H]2CCNC2=O)CC1 ZINC000981074451 656102884 /nfs/dbraw/zinc/10/28/84/656102884.db2.gz VTGFYCZXKXSNIG-UWVGGRQHSA-N 1 2 296.327 -1.482 20 0 CAADLO NC(=O)C[N@@H+]1CCCN(C(=O)CO[C@H]2CCOC2)CC1 ZINC000981148276 656102890 /nfs/dbraw/zinc/10/28/90/656102890.db2.gz GNYZWJVBINETAM-NSHDSACASA-N 1 2 285.344 -1.189 20 0 CAADLO NC(=O)C[N@H+]1CCCN(C(=O)CO[C@H]2CCOC2)CC1 ZINC000981148276 656102894 /nfs/dbraw/zinc/10/28/94/656102894.db2.gz GNYZWJVBINETAM-NSHDSACASA-N 1 2 285.344 -1.189 20 0 CAADLO O=C(C1CS(=O)(=O)C1)N1CCC[N@@H+](CCO)CC1 ZINC000981235824 656103247 /nfs/dbraw/zinc/10/32/47/656103247.db2.gz RJQNWOKJKQALOI-UHFFFAOYSA-N 1 2 276.358 -1.442 20 0 CAADLO O=C(C1CS(=O)(=O)C1)N1CCC[N@H+](CCO)CC1 ZINC000981235824 656103248 /nfs/dbraw/zinc/10/32/48/656103248.db2.gz RJQNWOKJKQALOI-UHFFFAOYSA-N 1 2 276.358 -1.442 20 0 CAADLO Cc1nn[nH]c1C(=O)NC[C@@H]1CCC[N@@H+]1CC(N)=O ZINC001028064742 656103286 /nfs/dbraw/zinc/10/32/86/656103286.db2.gz QAAQNVNFGFUWDA-QMMMGPOBSA-N 1 2 266.305 -1.207 20 0 CAADLO Cc1nn[nH]c1C(=O)NC[C@@H]1CCC[N@H+]1CC(N)=O ZINC001028064742 656103288 /nfs/dbraw/zinc/10/32/88/656103288.db2.gz QAAQNVNFGFUWDA-QMMMGPOBSA-N 1 2 266.305 -1.207 20 0 CAADLO O=C(C1CS(=O)(=O)C1)N1CCC[N@@H+](CCCO)CC1 ZINC000981235647 656103639 /nfs/dbraw/zinc/10/36/39/656103639.db2.gz NVXBAGOFXMGJLK-UHFFFAOYSA-N 1 2 290.385 -1.052 20 0 CAADLO O=C(C1CS(=O)(=O)C1)N1CCC[N@H+](CCCO)CC1 ZINC000981235647 656103641 /nfs/dbraw/zinc/10/36/41/656103641.db2.gz NVXBAGOFXMGJLK-UHFFFAOYSA-N 1 2 290.385 -1.052 20 0 CAADLO CNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)c1nnn(C)n1 ZINC001028078710 656104003 /nfs/dbraw/zinc/10/40/03/656104003.db2.gz PZUYHJDSYYQUGW-MRVPVSSYSA-N 1 2 281.320 -1.850 20 0 CAADLO CNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)c1nnn(C)n1 ZINC001028078710 656104004 /nfs/dbraw/zinc/10/40/04/656104004.db2.gz PZUYHJDSYYQUGW-MRVPVSSYSA-N 1 2 281.320 -1.850 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CCC[C@@H]1CNC(=O)c1nnn(C)n1 ZINC001028078461 656104134 /nfs/dbraw/zinc/10/41/34/656104134.db2.gz JSZWYXKGQVHXNW-HTQZYQBOSA-N 1 2 281.320 -1.722 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CCC[C@@H]1CNC(=O)c1nnn(C)n1 ZINC001028078461 656104138 /nfs/dbraw/zinc/10/41/38/656104138.db2.gz JSZWYXKGQVHXNW-HTQZYQBOSA-N 1 2 281.320 -1.722 20 0 CAADLO NC(=O)C[N@@H+]1CCCN(C(=O)C[C@H]2CCC(=O)NC2)CC1 ZINC000981315047 656104629 /nfs/dbraw/zinc/10/46/29/656104629.db2.gz HVMMOQOBUGXXHU-LLVKDONJSA-N 1 2 296.371 -1.078 20 0 CAADLO NC(=O)C[N@H+]1CCCN(C(=O)C[C@H]2CCC(=O)NC2)CC1 ZINC000981315047 656104630 /nfs/dbraw/zinc/10/46/30/656104630.db2.gz HVMMOQOBUGXXHU-LLVKDONJSA-N 1 2 296.371 -1.078 20 0 CAADLO NC(=O)C[N@@H+]1CCCN(C(=O)[C@H]2CCCC(=O)N2)CC1 ZINC000981408891 656104649 /nfs/dbraw/zinc/10/46/49/656104649.db2.gz SPNJBBZELYSVDZ-SNVBAGLBSA-N 1 2 282.344 -1.325 20 0 CAADLO NC(=O)C[N@H+]1CCCN(C(=O)[C@H]2CCCC(=O)N2)CC1 ZINC000981408891 656104651 /nfs/dbraw/zinc/10/46/51/656104651.db2.gz SPNJBBZELYSVDZ-SNVBAGLBSA-N 1 2 282.344 -1.325 20 0 CAADLO CN1CC[C@H](CC(=O)N2CCC[N@H+](CC(N)=O)CC2)C1=O ZINC000981405970 656104699 /nfs/dbraw/zinc/10/46/99/656104699.db2.gz HBXBAULGXZNNPL-LLVKDONJSA-N 1 2 296.371 -1.126 20 0 CAADLO CN1CC[C@H](CC(=O)N2CCC[N@@H+](CC(N)=O)CC2)C1=O ZINC000981405970 656104701 /nfs/dbraw/zinc/10/47/01/656104701.db2.gz HBXBAULGXZNNPL-LLVKDONJSA-N 1 2 296.371 -1.126 20 0 CAADLO NC(=O)C[N@@H+]1CCCN(C(=O)C[C@H]2CCNC2=O)CC1 ZINC000981322790 656104880 /nfs/dbraw/zinc/10/48/80/656104880.db2.gz WHHYHZTWJZILQR-SNVBAGLBSA-N 1 2 282.344 -1.468 20 0 CAADLO NC(=O)C[N@H+]1CCCN(C(=O)C[C@H]2CCNC2=O)CC1 ZINC000981322790 656104885 /nfs/dbraw/zinc/10/48/85/656104885.db2.gz WHHYHZTWJZILQR-SNVBAGLBSA-N 1 2 282.344 -1.468 20 0 CAADLO NC(=O)C[N@@H+]1CCCN(C(=O)C[C@@H]2NC(=O)NC2=O)CC1 ZINC000981358505 656104972 /nfs/dbraw/zinc/10/49/72/656104972.db2.gz MXPVZKUQASHHHP-QMMMGPOBSA-N 1 2 297.315 -2.396 20 0 CAADLO NC(=O)C[N@H+]1CCCN(C(=O)C[C@@H]2NC(=O)NC2=O)CC1 ZINC000981358505 656104975 /nfs/dbraw/zinc/10/49/75/656104975.db2.gz MXPVZKUQASHHHP-QMMMGPOBSA-N 1 2 297.315 -2.396 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CCCN(C(=O)[C@@H]2CCCNC2=O)CC1 ZINC000981385132 656105219 /nfs/dbraw/zinc/10/52/19/656105219.db2.gz IUDMRSVWRQBBAH-WDEREUQCSA-N 1 2 296.371 -1.079 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CCCN(C(=O)[C@@H]2CCCNC2=O)CC1 ZINC000981385132 656105222 /nfs/dbraw/zinc/10/52/22/656105222.db2.gz IUDMRSVWRQBBAH-WDEREUQCSA-N 1 2 296.371 -1.079 20 0 CAADLO O=C([C@H]1CCC(=O)NC1)N1CC[NH+](CCO)CC1 ZINC000106906667 656105225 /nfs/dbraw/zinc/10/52/25/656105225.db2.gz PJSYDJONLOCEHU-JTQLQIEISA-N 1 2 255.318 -1.351 20 0 CAADLO O=C(c1cn[nH]n1)N1CCC[N@@H+]([C@H]2CCNC2=O)CC1 ZINC000981532904 656105398 /nfs/dbraw/zinc/10/53/98/656105398.db2.gz KSHGZEYTXHRHDF-JTQLQIEISA-N 1 2 278.316 -1.159 20 0 CAADLO O=C(c1cn[nH]n1)N1CCC[N@H+]([C@H]2CCNC2=O)CC1 ZINC000981532904 656105401 /nfs/dbraw/zinc/10/54/01/656105401.db2.gz KSHGZEYTXHRHDF-JTQLQIEISA-N 1 2 278.316 -1.159 20 0 CAADLO C[C@@H]1C[C@@H](C(=O)N2CCC[N@H+](CC(N)=O)CC2)CC(=O)N1 ZINC000981517244 656105518 /nfs/dbraw/zinc/10/55/18/656105518.db2.gz JEEZFMBEBISAFK-GHMZBOCLSA-N 1 2 296.371 -1.079 20 0 CAADLO C[C@@H]1C[C@@H](C(=O)N2CCC[N@@H+](CC(N)=O)CC2)CC(=O)N1 ZINC000981517244 656105520 /nfs/dbraw/zinc/10/55/20/656105520.db2.gz JEEZFMBEBISAFK-GHMZBOCLSA-N 1 2 296.371 -1.079 20 0 CAADLO C[C@H]1C[C@@H](C(=O)N2CCC[N@H+](CC(N)=O)CC2)CC(=O)N1 ZINC000981517247 656105738 /nfs/dbraw/zinc/10/57/38/656105738.db2.gz JEEZFMBEBISAFK-WDEREUQCSA-N 1 2 296.371 -1.079 20 0 CAADLO C[C@H]1C[C@@H](C(=O)N2CCC[N@@H+](CC(N)=O)CC2)CC(=O)N1 ZINC000981517247 656105740 /nfs/dbraw/zinc/10/57/40/656105740.db2.gz JEEZFMBEBISAFK-WDEREUQCSA-N 1 2 296.371 -1.079 20 0 CAADLO Cn1cnn(CC(=O)N2CCC[N@H+](CC(N)=O)CC2)c1=O ZINC000981503524 656105898 /nfs/dbraw/zinc/10/58/98/656105898.db2.gz NPDKLTZQZIUDOR-UHFFFAOYSA-N 1 2 296.331 -2.399 20 0 CAADLO Cn1cnn(CC(=O)N2CCC[N@@H+](CC(N)=O)CC2)c1=O ZINC000981503524 656105901 /nfs/dbraw/zinc/10/59/01/656105901.db2.gz NPDKLTZQZIUDOR-UHFFFAOYSA-N 1 2 296.331 -2.399 20 0 CAADLO NC(=O)C[N@@H+]1CCCN(C(=O)CN2CCNC(=O)C2)CC1 ZINC000981742905 656106830 /nfs/dbraw/zinc/10/68/30/656106830.db2.gz MCMSNBOWWJTNRG-UHFFFAOYSA-N 1 2 297.359 -2.562 20 0 CAADLO NC(=O)C[N@H+]1CCCN(C(=O)CN2CCNC(=O)C2)CC1 ZINC000981742905 656106837 /nfs/dbraw/zinc/10/68/37/656106837.db2.gz MCMSNBOWWJTNRG-UHFFFAOYSA-N 1 2 297.359 -2.562 20 0 CAADLO NC(=O)C[N@@H+]1CCCN(C(=O)[C@H]2CCNC(=O)CC2)CC1 ZINC000981694070 656106946 /nfs/dbraw/zinc/10/69/46/656106946.db2.gz ZQNJBYMMZZCIEE-LLVKDONJSA-N 1 2 296.371 -1.078 20 0 CAADLO NC(=O)C[N@H+]1CCCN(C(=O)[C@H]2CCNC(=O)CC2)CC1 ZINC000981694070 656106948 /nfs/dbraw/zinc/10/69/48/656106948.db2.gz ZQNJBYMMZZCIEE-LLVKDONJSA-N 1 2 296.371 -1.078 20 0 CAADLO Cn1c(C(=O)N2CCC[N@H+](CC(N)=O)CC2)c[nH]c1=O ZINC000981753516 656107301 /nfs/dbraw/zinc/10/73/01/656107301.db2.gz FESCYIXVPDLXDP-UHFFFAOYSA-N 1 2 281.316 -1.241 20 0 CAADLO Cn1c(C(=O)N2CCC[N@@H+](CC(N)=O)CC2)c[nH]c1=O ZINC000981753516 656107304 /nfs/dbraw/zinc/10/73/04/656107304.db2.gz FESCYIXVPDLXDP-UHFFFAOYSA-N 1 2 281.316 -1.241 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CCCN(C(=O)[C@H]2CN(C)C(=O)N2)CC1 ZINC000981750766 656107611 /nfs/dbraw/zinc/10/76/11/656107611.db2.gz JDKTTXQBOBZDNO-VHSXEESVSA-N 1 2 297.359 -1.582 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CCCN(C(=O)[C@H]2CN(C)C(=O)N2)CC1 ZINC000981750766 656107612 /nfs/dbraw/zinc/10/76/12/656107612.db2.gz JDKTTXQBOBZDNO-VHSXEESVSA-N 1 2 297.359 -1.582 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CCCN(C(=O)[C@H]2CCNC2=O)CC1 ZINC000981749445 656107615 /nfs/dbraw/zinc/10/76/15/656107615.db2.gz AZAOOHAEHSXVQL-UWVGGRQHSA-N 1 2 282.344 -1.469 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CCCN(C(=O)[C@H]2CCNC2=O)CC1 ZINC000981749445 656107616 /nfs/dbraw/zinc/10/76/16/656107616.db2.gz AZAOOHAEHSXVQL-UWVGGRQHSA-N 1 2 282.344 -1.469 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001028134181 656107686 /nfs/dbraw/zinc/10/76/86/656107686.db2.gz OHDAIACTHNOHQE-KXUCPTDWSA-N 1 2 298.343 -1.915 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001028134181 656107688 /nfs/dbraw/zinc/10/76/88/656107688.db2.gz OHDAIACTHNOHQE-KXUCPTDWSA-N 1 2 298.343 -1.915 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CCCN(C(=O)c2c[nH]c(=O)cn2)CC1 ZINC000981837582 656107716 /nfs/dbraw/zinc/10/77/16/656107716.db2.gz FOXHCDFVYDGEEE-SECBINFHSA-N 1 2 293.327 -1.208 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CCCN(C(=O)c2c[nH]c(=O)cn2)CC1 ZINC000981837582 656107719 /nfs/dbraw/zinc/10/77/19/656107719.db2.gz FOXHCDFVYDGEEE-SECBINFHSA-N 1 2 293.327 -1.208 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CCCN(C(=O)[C@@H]2CCN(C)C2=O)CC1 ZINC000981789748 656107820 /nfs/dbraw/zinc/10/78/20/656107820.db2.gz HWFQDONKLUYZAD-GHMZBOCLSA-N 1 2 296.371 -1.127 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CCCN(C(=O)[C@@H]2CCN(C)C2=O)CC1 ZINC000981789748 656107828 /nfs/dbraw/zinc/10/78/28/656107828.db2.gz HWFQDONKLUYZAD-GHMZBOCLSA-N 1 2 296.371 -1.127 20 0 CAADLO Cn1nnc(C(=O)N2CCC[N@@H+]([C@@H]3CCNC3=O)CC2)n1 ZINC000981778428 656107914 /nfs/dbraw/zinc/10/79/14/656107914.db2.gz DMLUKBIKPURQIJ-SECBINFHSA-N 1 2 293.331 -1.754 20 0 CAADLO Cn1nnc(C(=O)N2CCC[N@H+]([C@@H]3CCNC3=O)CC2)n1 ZINC000981778428 656107915 /nfs/dbraw/zinc/10/79/15/656107915.db2.gz DMLUKBIKPURQIJ-SECBINFHSA-N 1 2 293.331 -1.754 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CCCN(C(=O)[C@H]2CNC(=O)N2)CC1 ZINC000981850406 656107991 /nfs/dbraw/zinc/10/79/91/656107991.db2.gz GUABDUHPMARASB-RKDXNWHRSA-N 1 2 283.332 -1.924 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CCCN(C(=O)[C@H]2CNC(=O)N2)CC1 ZINC000981850406 656107992 /nfs/dbraw/zinc/10/79/92/656107992.db2.gz GUABDUHPMARASB-RKDXNWHRSA-N 1 2 283.332 -1.924 20 0 CAADLO NC(=O)C1(C(=O)N2CCC[N@@H+]([C@H]3CCNC3=O)CC2)CC1 ZINC000981865047 656108310 /nfs/dbraw/zinc/10/83/10/656108310.db2.gz LNAYKWZTUNWEKP-JTQLQIEISA-N 1 2 294.355 -1.325 20 0 CAADLO NC(=O)C1(C(=O)N2CCC[N@H+]([C@H]3CCNC3=O)CC2)CC1 ZINC000981865047 656108311 /nfs/dbraw/zinc/10/83/11/656108311.db2.gz LNAYKWZTUNWEKP-JTQLQIEISA-N 1 2 294.355 -1.325 20 0 CAADLO Cn1cc(C(=O)N2CCC[N@H+](CC(N)=O)CC2)[nH]c1=O ZINC000981880317 656108499 /nfs/dbraw/zinc/10/84/99/656108499.db2.gz YBQWQIYRWCLNTR-UHFFFAOYSA-N 1 2 281.316 -1.241 20 0 CAADLO Cn1cc(C(=O)N2CCC[N@@H+](CC(N)=O)CC2)[nH]c1=O ZINC000981880317 656108501 /nfs/dbraw/zinc/10/85/01/656108501.db2.gz YBQWQIYRWCLNTR-UHFFFAOYSA-N 1 2 281.316 -1.241 20 0 CAADLO C[C@@H](C(=O)NC1CC1)[N@@H+]1CCCN(C(=O)C(N)=O)CC1 ZINC000981865074 656108522 /nfs/dbraw/zinc/10/85/22/656108522.db2.gz MVDHEWJSDZVXNY-VIFPVBQESA-N 1 2 282.344 -1.327 20 0 CAADLO C[C@@H](C(=O)NC1CC1)[N@H+]1CCCN(C(=O)C(N)=O)CC1 ZINC000981865074 656108523 /nfs/dbraw/zinc/10/85/23/656108523.db2.gz MVDHEWJSDZVXNY-VIFPVBQESA-N 1 2 282.344 -1.327 20 0 CAADLO C[C@H](C(=O)NC1CC1)[N@@H+]1CCCN(C(=O)C(N)=O)CC1 ZINC000981865073 656108533 /nfs/dbraw/zinc/10/85/33/656108533.db2.gz MVDHEWJSDZVXNY-SECBINFHSA-N 1 2 282.344 -1.327 20 0 CAADLO C[C@H](C(=O)NC1CC1)[N@H+]1CCCN(C(=O)C(N)=O)CC1 ZINC000981865073 656108535 /nfs/dbraw/zinc/10/85/35/656108535.db2.gz MVDHEWJSDZVXNY-SECBINFHSA-N 1 2 282.344 -1.327 20 0 CAADLO NC(=O)C(=O)N1CCC[N@@H+]([C@@H]2CCCNC2=O)CC1 ZINC000981858967 656108613 /nfs/dbraw/zinc/10/86/13/656108613.db2.gz WXTLIQYCWPBCIT-SECBINFHSA-N 1 2 268.317 -1.715 20 0 CAADLO NC(=O)C(=O)N1CCC[N@H+]([C@@H]2CCCNC2=O)CC1 ZINC000981858967 656108615 /nfs/dbraw/zinc/10/86/15/656108615.db2.gz WXTLIQYCWPBCIT-SECBINFHSA-N 1 2 268.317 -1.715 20 0 CAADLO C[C@H](C(=O)N(C)C)[N@@H+]1CCCN(C(=O)C(N)=O)CC1 ZINC000981861935 656108679 /nfs/dbraw/zinc/10/86/79/656108679.db2.gz NTFQNZZSCCHZAJ-SECBINFHSA-N 1 2 270.333 -1.517 20 0 CAADLO C[C@H](C(=O)N(C)C)[N@H+]1CCCN(C(=O)C(N)=O)CC1 ZINC000981861935 656108681 /nfs/dbraw/zinc/10/86/81/656108681.db2.gz NTFQNZZSCCHZAJ-SECBINFHSA-N 1 2 270.333 -1.517 20 0 CAADLO NC(=O)C(=O)N1CCC[N@@H+]([C@@H]2CCNC2=O)CC1 ZINC000981856679 656108710 /nfs/dbraw/zinc/10/87/10/656108710.db2.gz FIWCXAMAAYALBH-MRVPVSSYSA-N 1 2 254.290 -2.106 20 0 CAADLO NC(=O)C(=O)N1CCC[N@H+]([C@@H]2CCNC2=O)CC1 ZINC000981856679 656108712 /nfs/dbraw/zinc/10/87/12/656108712.db2.gz FIWCXAMAAYALBH-MRVPVSSYSA-N 1 2 254.290 -2.106 20 0 CAADLO Cn1cc(C[N@@H+]2CCCC3(CN(C(=O)C(N)=O)C3)C2)nn1 ZINC000981971544 656109144 /nfs/dbraw/zinc/10/91/44/656109144.db2.gz FGWBXWOQVORJBD-UHFFFAOYSA-N 1 2 292.343 -1.275 20 0 CAADLO Cn1cc(C[N@H+]2CCCC3(CN(C(=O)C(N)=O)C3)C2)nn1 ZINC000981971544 656109148 /nfs/dbraw/zinc/10/91/48/656109148.db2.gz FGWBXWOQVORJBD-UHFFFAOYSA-N 1 2 292.343 -1.275 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CCCN(C(=O)[C@H]2C[C@H]2C(N)=O)CC1 ZINC000981967520 656109153 /nfs/dbraw/zinc/10/91/53/656109153.db2.gz DXTOUPUDAYYZFW-BBBLOLIVSA-N 1 2 282.344 -1.484 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CCCN(C(=O)[C@H]2C[C@H]2C(N)=O)CC1 ZINC000981967520 656109155 /nfs/dbraw/zinc/10/91/55/656109155.db2.gz DXTOUPUDAYYZFW-BBBLOLIVSA-N 1 2 282.344 -1.484 20 0 CAADLO NC(=O)[C@@H]1C[C@@H]1C(=O)N1CCC[N@@H+]([C@H]2CCNC2=O)CC1 ZINC000981972647 656109238 /nfs/dbraw/zinc/10/92/38/656109238.db2.gz YYQVUBPBNKJDCJ-VWYCJHECSA-N 1 2 294.355 -1.469 20 0 CAADLO NC(=O)[C@@H]1C[C@@H]1C(=O)N1CCC[N@H+]([C@H]2CCNC2=O)CC1 ZINC000981972647 656109241 /nfs/dbraw/zinc/10/92/41/656109241.db2.gz YYQVUBPBNKJDCJ-VWYCJHECSA-N 1 2 294.355 -1.469 20 0 CAADLO C[C@H](C(=O)N1CCC[N@H+](CC(N)=O)CC1)[C@H]1CCC(=O)N1 ZINC000982006210 656109721 /nfs/dbraw/zinc/10/97/21/656109721.db2.gz BXPROAPSDQOTHU-WDEREUQCSA-N 1 2 296.371 -1.079 20 0 CAADLO C[C@H](C(=O)N1CCC[N@@H+](CC(N)=O)CC1)[C@H]1CCC(=O)N1 ZINC000982006210 656109724 /nfs/dbraw/zinc/10/97/24/656109724.db2.gz BXPROAPSDQOTHU-WDEREUQCSA-N 1 2 296.371 -1.079 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)c1cnon1 ZINC001028213928 656110146 /nfs/dbraw/zinc/11/01/46/656110146.db2.gz OBTSIRBXGZCWQP-ZETCQYMHSA-N 1 2 253.262 -1.251 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@H]1CNC(=O)c1cnon1 ZINC001028213928 656110150 /nfs/dbraw/zinc/11/01/50/656110150.db2.gz OBTSIRBXGZCWQP-ZETCQYMHSA-N 1 2 253.262 -1.251 20 0 CAADLO Cn1nncc1C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC(=O)N2)C1 ZINC001010380729 656110310 /nfs/dbraw/zinc/11/03/10/656110310.db2.gz DSDFMOJJVPXWJQ-GXSJLCMTSA-N 1 2 292.343 -1.216 20 0 CAADLO Cn1nncc1C[N@H+]1CC[C@H](NC(=O)[C@H]2CCC(=O)N2)C1 ZINC001010380729 656110313 /nfs/dbraw/zinc/11/03/13/656110313.db2.gz DSDFMOJJVPXWJQ-GXSJLCMTSA-N 1 2 292.343 -1.216 20 0 CAADLO NC(=O)C[N@@H+]1CCCN(C(=O)C[C@H]2CCC(=O)N2)CC1 ZINC000982189985 656110742 /nfs/dbraw/zinc/11/07/42/656110742.db2.gz GAXMDGNUMAKXDV-SNVBAGLBSA-N 1 2 282.344 -1.325 20 0 CAADLO NC(=O)C[N@H+]1CCCN(C(=O)C[C@H]2CCC(=O)N2)CC1 ZINC000982189985 656110745 /nfs/dbraw/zinc/11/07/45/656110745.db2.gz GAXMDGNUMAKXDV-SNVBAGLBSA-N 1 2 282.344 -1.325 20 0 CAADLO O=C(c1nc[nH]n1)N1CCC[N@@H+]([C@@H]2CCNC2=O)CC1 ZINC000982283985 656111403 /nfs/dbraw/zinc/11/14/03/656111403.db2.gz BFVBIIPKJUABBT-SECBINFHSA-N 1 2 278.316 -1.159 20 0 CAADLO O=C(c1nc[nH]n1)N1CCC[N@H+]([C@@H]2CCNC2=O)CC1 ZINC000982283985 656111404 /nfs/dbraw/zinc/11/14/04/656111404.db2.gz BFVBIIPKJUABBT-SECBINFHSA-N 1 2 278.316 -1.159 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)c1c[nH]c(C(N)=O)c1 ZINC001028318157 656113167 /nfs/dbraw/zinc/11/31/67/656113167.db2.gz QJIUSSNLFOEUOH-SECBINFHSA-N 1 2 293.327 -1.207 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)c1c[nH]c(C(N)=O)c1 ZINC001028318157 656113169 /nfs/dbraw/zinc/11/31/69/656113169.db2.gz QJIUSSNLFOEUOH-SECBINFHSA-N 1 2 293.327 -1.207 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)c1c[nH]c(C(N)=O)c1 ZINC001028318158 656113588 /nfs/dbraw/zinc/11/35/88/656113588.db2.gz QJIUSSNLFOEUOH-VIFPVBQESA-N 1 2 293.327 -1.207 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@H]1CNC(=O)c1c[nH]c(C(N)=O)c1 ZINC001028318158 656113591 /nfs/dbraw/zinc/11/35/91/656113591.db2.gz QJIUSSNLFOEUOH-VIFPVBQESA-N 1 2 293.327 -1.207 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CCCN(C(=O)CCn2cnnn2)CC1 ZINC000982660170 656117069 /nfs/dbraw/zinc/11/70/69/656117069.db2.gz PNMVAJGUPCUZEN-JTQLQIEISA-N 1 2 295.347 -1.529 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CCCN(C(=O)CCn2cnnn2)CC1 ZINC000982660170 656117072 /nfs/dbraw/zinc/11/70/72/656117072.db2.gz PNMVAJGUPCUZEN-JTQLQIEISA-N 1 2 295.347 -1.529 20 0 CAADLO C[C@H]1[C@H](NC(=O)Cn2cc[nH+]c2)CCN1C(=O)C(N)=O ZINC001012024109 656117148 /nfs/dbraw/zinc/11/71/48/656117148.db2.gz XIVTZUVLWGDPAQ-DTWKUNHWSA-N 1 2 279.300 -1.526 20 0 CAADLO Cn1nnc(C(=O)NC[C@H]2CC[N@H+](Cc3cnon3)C2)n1 ZINC001028749551 656121894 /nfs/dbraw/zinc/12/18/94/656121894.db2.gz UIAUYWVPDYCRFS-MRVPVSSYSA-N 1 2 292.303 -1.155 20 0 CAADLO Cn1nnc(C(=O)NC[C@H]2CC[N@@H+](Cc3cnon3)C2)n1 ZINC001028749551 656121896 /nfs/dbraw/zinc/12/18/96/656121896.db2.gz UIAUYWVPDYCRFS-MRVPVSSYSA-N 1 2 292.303 -1.155 20 0 CAADLO CN(C)C(=O)C[N@@H+]1CC[C@@H](CNC(=O)c2nc[nH]n2)C1 ZINC001028876818 656122691 /nfs/dbraw/zinc/12/26/91/656122691.db2.gz JICXSEMYTGMYFO-VIFPVBQESA-N 1 2 280.332 -1.055 20 0 CAADLO CN(C)C(=O)C[N@H+]1CC[C@@H](CNC(=O)c2nc[nH]n2)C1 ZINC001028876818 656122693 /nfs/dbraw/zinc/12/26/93/656122693.db2.gz JICXSEMYTGMYFO-VIFPVBQESA-N 1 2 280.332 -1.055 20 0 CAADLO O=C(NC[C@@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1)c1nc[nH]n1 ZINC001028877102 656122712 /nfs/dbraw/zinc/12/27/12/656122712.db2.gz PGOSOOZMBXEAAP-DTWKUNHWSA-N 1 2 278.316 -1.255 20 0 CAADLO O=C(NC[C@@H]1CC[N@H+]([C@@H]2CCNC2=O)C1)c1nc[nH]n1 ZINC001028877102 656122713 /nfs/dbraw/zinc/12/27/13/656122713.db2.gz PGOSOOZMBXEAAP-DTWKUNHWSA-N 1 2 278.316 -1.255 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+]1CC[C@H](CNC(=O)c2nc[nH]n2)C1 ZINC001028878037 656123152 /nfs/dbraw/zinc/12/31/52/656123152.db2.gz HEJPLKWERWYOPA-DTWKUNHWSA-N 1 2 280.332 -1.009 20 0 CAADLO CNC(=O)[C@H](C)[N@H+]1CC[C@H](CNC(=O)c2nc[nH]n2)C1 ZINC001028878037 656123156 /nfs/dbraw/zinc/12/31/56/656123156.db2.gz HEJPLKWERWYOPA-DTWKUNHWSA-N 1 2 280.332 -1.009 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CC[C@@H](CNC(=O)c2nc[nH]n2)C1 ZINC001028877036 656123182 /nfs/dbraw/zinc/12/31/82/656123182.db2.gz NAYZCTRQBXDDEV-YUMQZZPRSA-N 1 2 266.305 -1.270 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CC[C@@H](CNC(=O)c2nc[nH]n2)C1 ZINC001028877036 656123185 /nfs/dbraw/zinc/12/31/85/656123185.db2.gz NAYZCTRQBXDDEV-YUMQZZPRSA-N 1 2 266.305 -1.270 20 0 CAADLO Cc1nonc1CC(=O)N1CCC[N@H+](CC(N)=O)CC1 ZINC000983452992 656123878 /nfs/dbraw/zinc/12/38/78/656123878.db2.gz AEWADXQKJAGAND-UHFFFAOYSA-N 1 2 281.316 -1.060 20 0 CAADLO Cc1nonc1CC(=O)N1CCC[N@@H+](CC(N)=O)CC1 ZINC000983452992 656123880 /nfs/dbraw/zinc/12/38/80/656123880.db2.gz AEWADXQKJAGAND-UHFFFAOYSA-N 1 2 281.316 -1.060 20 0 CAADLO NC(=O)C(=O)N[C@@H]1CCC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000983646936 656124296 /nfs/dbraw/zinc/12/42/96/656124296.db2.gz UOMGBOHIUHLMEO-VHSXEESVSA-N 1 2 293.327 -1.088 20 0 CAADLO NC(=O)C(=O)N[C@H]1CCC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000983646934 656124425 /nfs/dbraw/zinc/12/44/25/656124425.db2.gz UOMGBOHIUHLMEO-UWVGGRQHSA-N 1 2 293.327 -1.088 20 0 CAADLO NC(=O)C(=O)N[C@H]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000983646937 656124477 /nfs/dbraw/zinc/12/44/77/656124477.db2.gz UOMGBOHIUHLMEO-ZJUUUORDSA-N 1 2 293.327 -1.088 20 0 CAADLO NC(=O)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)Cc1[nH]cc[nH+]1 ZINC000937563666 656129747 /nfs/dbraw/zinc/12/97/47/656129747.db2.gz FSVMMGALOKPKGH-YUMQZZPRSA-N 1 2 277.284 -1.751 20 0 CAADLO Cn1nnnc1C[NH2+]C[C@H]1C[C@H](NC(=O)c2ncn[nH]2)C1 ZINC000984935779 656129773 /nfs/dbraw/zinc/12/97/73/656129773.db2.gz BKYWTLBBNLAFIZ-ZKCHVHJHSA-N 1 2 291.319 -1.374 20 0 CAADLO Cn1nnnc1C[NH2+]C[C@H]1C[C@H](NC(=O)c2nc[nH]n2)C1 ZINC000984935779 656129776 /nfs/dbraw/zinc/12/97/76/656129776.db2.gz BKYWTLBBNLAFIZ-ZKCHVHJHSA-N 1 2 291.319 -1.374 20 0 CAADLO C[N@H+](CC(N)=O)C1CCN(C(=O)CS(C)(=O)=O)CC1 ZINC000985319279 656130930 /nfs/dbraw/zinc/13/09/30/656130930.db2.gz RAEUDQVCOPESGK-UHFFFAOYSA-N 1 2 291.373 -1.561 20 0 CAADLO C[N@@H+](CC(N)=O)C1CCN(C(=O)CS(C)(=O)=O)CC1 ZINC000985319279 656130936 /nfs/dbraw/zinc/13/09/36/656130936.db2.gz RAEUDQVCOPESGK-UHFFFAOYSA-N 1 2 291.373 -1.561 20 0 CAADLO CC[C@@H]1[C@@H](NC(=O)C(N)=O)CCN1C(=O)Cc1c[nH+]c[nH]1 ZINC000985374921 656131234 /nfs/dbraw/zinc/13/12/34/656131234.db2.gz GTMVGMVCCGLMST-VHSXEESVSA-N 1 2 293.327 -1.067 20 0 CAADLO CC[C@@H]1[C@@H](NC(=O)C(N)=O)CCN1C(=O)Cn1cc[nH+]c1 ZINC000985374990 656131354 /nfs/dbraw/zinc/13/13/54/656131354.db2.gz DGYKHUJWPYCDGU-VHSXEESVSA-N 1 2 293.327 -1.136 20 0 CAADLO Cn1nnnc1C[N@H+](C)C[C@@H]1CCN(C(=O)CC(N)=O)C1 ZINC001029684251 656132525 /nfs/dbraw/zinc/13/25/25/656132525.db2.gz QJVQBARQVWSKOF-VIFPVBQESA-N 1 2 295.347 -1.634 20 0 CAADLO Cn1nnnc1C[N@@H+](C)C[C@@H]1CCN(C(=O)CC(N)=O)C1 ZINC001029684251 656132526 /nfs/dbraw/zinc/13/25/26/656132526.db2.gz QJVQBARQVWSKOF-VIFPVBQESA-N 1 2 295.347 -1.634 20 0 CAADLO Cn1ncnc1C[N@H+](C)C[C@@H]1CCN(C(=O)C(N)=O)C1 ZINC001029823424 656133822 /nfs/dbraw/zinc/13/38/22/656133822.db2.gz TWTUWGNXIZCBRB-VIFPVBQESA-N 1 2 280.332 -1.419 20 0 CAADLO Cn1ncnc1C[N@@H+](C)C[C@@H]1CCN(C(=O)C(N)=O)C1 ZINC001029823424 656133825 /nfs/dbraw/zinc/13/38/25/656133825.db2.gz TWTUWGNXIZCBRB-VIFPVBQESA-N 1 2 280.332 -1.419 20 0 CAADLO Cn1nnnc1C[N@H+](C)C[C@@H]1CCN(C(=O)C(N)=O)C1 ZINC001029820341 656133954 /nfs/dbraw/zinc/13/39/54/656133954.db2.gz BTRUJVQOGQEPFP-QMMMGPOBSA-N 1 2 281.320 -2.024 20 0 CAADLO Cn1nnnc1C[N@@H+](C)C[C@@H]1CCN(C(=O)C(N)=O)C1 ZINC001029820341 656133955 /nfs/dbraw/zinc/13/39/55/656133955.db2.gz BTRUJVQOGQEPFP-QMMMGPOBSA-N 1 2 281.320 -2.024 20 0 CAADLO Cn1ncnc1C[N@H+](C)C[C@H]1CCN(C(=O)C(N)=O)C1 ZINC001029823423 656133966 /nfs/dbraw/zinc/13/39/66/656133966.db2.gz TWTUWGNXIZCBRB-SECBINFHSA-N 1 2 280.332 -1.419 20 0 CAADLO Cn1ncnc1C[N@@H+](C)C[C@H]1CCN(C(=O)C(N)=O)C1 ZINC001029823423 656133967 /nfs/dbraw/zinc/13/39/67/656133967.db2.gz TWTUWGNXIZCBRB-SECBINFHSA-N 1 2 280.332 -1.419 20 0 CAADLO COCC(=O)N1CC[C@H]([NH2+]Cc2nnn(C)n2)[C@@H]1C ZINC000985834352 656134410 /nfs/dbraw/zinc/13/44/10/656134410.db2.gz UYPSHHPGUDEOJD-IUCAKERBSA-N 1 2 268.321 -1.065 20 0 CAADLO Cn1nnnc1C[N@H+](C)C1CCN(C(=O)C(N)=O)CC1 ZINC000985618317 656134818 /nfs/dbraw/zinc/13/48/18/656134818.db2.gz QXIICYMDEBTQEI-UHFFFAOYSA-N 1 2 281.320 -1.882 20 0 CAADLO Cn1nnnc1C[N@@H+](C)C1CCN(C(=O)C(N)=O)CC1 ZINC000985618317 656134819 /nfs/dbraw/zinc/13/48/19/656134819.db2.gz QXIICYMDEBTQEI-UHFFFAOYSA-N 1 2 281.320 -1.882 20 0 CAADLO C[C@H]1C[C@@H](NC(=O)C(N)=O)CN1C(=O)CCc1c[nH]c[nH+]1 ZINC001012923899 656135580 /nfs/dbraw/zinc/13/55/80/656135580.db2.gz QIXNOYHYMJWEQF-WCBMZHEXSA-N 1 2 293.327 -1.067 20 0 CAADLO C[C@H]1C[C@@H](NC(=O)C(N)=O)CN1C(=O)CCc1c[nH+]c[nH]1 ZINC001012923899 656135582 /nfs/dbraw/zinc/13/55/82/656135582.db2.gz QIXNOYHYMJWEQF-WCBMZHEXSA-N 1 2 293.327 -1.067 20 0 CAADLO C[C@H]1[C@@H]([NH2+]Cc2nnn(C)n2)CCN1C(=O)CC(N)=O ZINC000986114917 656135621 /nfs/dbraw/zinc/13/56/21/656135621.db2.gz RTTLTNNGAKQUPA-YUMQZZPRSA-N 1 2 281.320 -1.836 20 0 CAADLO C[C@@H]1[C@@H]([NH2+]Cc2nnn(C)n2)CCN1C(=O)c1cn[nH]n1 ZINC000986458598 656137190 /nfs/dbraw/zinc/13/71/90/656137190.db2.gz YEVAHURNFALACN-SFYZADRCSA-N 1 2 291.319 -1.279 20 0 CAADLO COCc1noc(C[NH2+][C@@H]2CCN(C(=O)C(N)=O)[C@H]2C)n1 ZINC000986777510 656137820 /nfs/dbraw/zinc/13/78/20/656137820.db2.gz IEROORUIBRONKH-JGVFFNPUSA-N 1 2 297.315 -1.220 20 0 CAADLO Cc1noc(C[NH2+][C@@H]2CCN(C(=O)C(N)=O)[C@H]2C)n1 ZINC000986777474 656137859 /nfs/dbraw/zinc/13/78/59/656137859.db2.gz HXTIVWCKSBRUBJ-POYBYMJQSA-N 1 2 267.289 -1.058 20 0 CAADLO COCc1noc(C[NH2+][C@H]2CCN(C(=O)C(N)=O)[C@@H]2C)n1 ZINC000986777513 656137939 /nfs/dbraw/zinc/13/79/39/656137939.db2.gz IEROORUIBRONKH-SFYZADRCSA-N 1 2 297.315 -1.220 20 0 CAADLO C[C@@H]1[C@@H]([NH2+]Cc2nc(N(C)C)no2)CCN1C(=O)C(N)=O ZINC000986775389 656138110 /nfs/dbraw/zinc/13/81/10/656138110.db2.gz CYCUPYRFJAICGZ-SFYZADRCSA-N 1 2 296.331 -1.300 20 0 CAADLO C[C@@H]1[C@H]([NH2+]Cc2nc(N(C)C)no2)CCN1C(=O)C(N)=O ZINC000986775383 656138115 /nfs/dbraw/zinc/13/81/15/656138115.db2.gz CYCUPYRFJAICGZ-HTQZYQBOSA-N 1 2 296.331 -1.300 20 0 CAADLO COCc1noc(C[NH2+][C@H]2CCN(C(=O)C(N)=O)[C@H]2C)n1 ZINC000986777515 656138138 /nfs/dbraw/zinc/13/81/38/656138138.db2.gz IEROORUIBRONKH-YUMQZZPRSA-N 1 2 297.315 -1.220 20 0 CAADLO C[C@@H]1[C@H]([NH2+]Cc2nc(=O)n(C)[nH]2)CCN1C(=O)C(N)=O ZINC000986779413 656138158 /nfs/dbraw/zinc/13/81/58/656138158.db2.gz MXALMYADWZWVNR-RNFRBKRXSA-N 1 2 282.304 -2.327 20 0 CAADLO C[C@@H]1[C@@H]([NH2+]Cc2nc(=O)n(C)[nH]2)CCN1C(=O)C(N)=O ZINC000986779414 656138173 /nfs/dbraw/zinc/13/81/73/656138173.db2.gz MXALMYADWZWVNR-RQJHMYQMSA-N 1 2 282.304 -2.327 20 0 CAADLO NC(=O)C[N@@H+]1CCCN(C(=O)[C@H]2CCC(=O)NC2)CC1 ZINC000109476710 656139324 /nfs/dbraw/zinc/13/93/24/656139324.db2.gz KJAVAPVWUMOYPQ-JTQLQIEISA-N 1 2 282.344 -1.468 20 0 CAADLO NC(=O)C[N@H+]1CCCN(C(=O)[C@H]2CCC(=O)NC2)CC1 ZINC000109476710 656139327 /nfs/dbraw/zinc/13/93/27/656139327.db2.gz KJAVAPVWUMOYPQ-JTQLQIEISA-N 1 2 282.344 -1.468 20 0 CAADLO C[C@H]1[C@H]([NH2+]CC(N)=O)CCN1C(=O)Cc1ncn[nH]1 ZINC000987330742 656140167 /nfs/dbraw/zinc/14/01/67/656140167.db2.gz UYECQIUWENROEC-JGVFFNPUSA-N 1 2 266.305 -1.589 20 0 CAADLO C[C@@H]1[C@H]([NH2+]CC(N)=O)CCN1C(=O)Cc1ncn[nH]1 ZINC000987330741 656140230 /nfs/dbraw/zinc/14/02/30/656140230.db2.gz UYECQIUWENROEC-HTQZYQBOSA-N 1 2 266.305 -1.589 20 0 CAADLO C[C@H]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)CN1C(=O)C(N)=O ZINC001013959310 656141956 /nfs/dbraw/zinc/14/19/56/656141956.db2.gz ODBGQECXOUTRRC-DTWKUNHWSA-N 1 2 293.327 -1.447 20 0 CAADLO NC(=O)C(=O)N[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000951253163 656143113 /nfs/dbraw/zinc/14/31/13/656143113.db2.gz SEDWRKMLYGOPFK-VIFPVBQESA-N 1 2 279.300 -1.524 20 0 CAADLO CCOC(=O)[C@@H]1NC(=O)N(C[C@@H]2C[N@H+](C)CCO2)C1=O ZINC000925297494 656147331 /nfs/dbraw/zinc/14/73/31/656147331.db2.gz GPZSWJWUNYPVIM-DTWKUNHWSA-N 1 2 285.300 -1.200 20 0 CAADLO CCOC(=O)[C@@H]1NC(=O)N(C[C@@H]2C[N@@H+](C)CCO2)C1=O ZINC000925297494 656147332 /nfs/dbraw/zinc/14/73/32/656147332.db2.gz GPZSWJWUNYPVIM-DTWKUNHWSA-N 1 2 285.300 -1.200 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2ncc[nH]2)C1 ZINC001014365214 656148325 /nfs/dbraw/zinc/14/83/25/656148325.db2.gz OFASCHUYDFWLAA-QMMMGPOBSA-N 1 2 251.290 -1.040 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)c2ncc[nH]2)C1 ZINC001014365214 656148327 /nfs/dbraw/zinc/14/83/27/656148327.db2.gz OFASCHUYDFWLAA-QMMMGPOBSA-N 1 2 251.290 -1.040 20 0 CAADLO CCn1ncc(C(=O)N[C@@H]2CC[N@@H+]([C@H]3CCNC3=O)C2)n1 ZINC001014357394 656148455 /nfs/dbraw/zinc/14/84/55/656148455.db2.gz OVJSHSDEINIADB-KOLCDFICSA-N 1 2 292.343 -1.009 20 0 CAADLO CCn1ncc(C(=O)N[C@@H]2CC[N@H+]([C@H]3CCNC3=O)C2)n1 ZINC001014357394 656148457 /nfs/dbraw/zinc/14/84/57/656148457.db2.gz OVJSHSDEINIADB-KOLCDFICSA-N 1 2 292.343 -1.009 20 0 CAADLO CCn1ncc(C(=O)N[C@H]2CC[N@@H+]([C@H]3CCNC3=O)C2)n1 ZINC001014357411 656148477 /nfs/dbraw/zinc/14/84/77/656148477.db2.gz OVJSHSDEINIADB-ONGXEEELSA-N 1 2 292.343 -1.009 20 0 CAADLO CCn1ncc(C(=O)N[C@H]2CC[N@H+]([C@H]3CCNC3=O)C2)n1 ZINC001014357411 656148480 /nfs/dbraw/zinc/14/84/80/656148480.db2.gz OVJSHSDEINIADB-ONGXEEELSA-N 1 2 292.343 -1.009 20 0 CAADLO CCn1ncc(C(=O)N[C@@H]2CC[N@@H+]([C@@H]3CCNC3=O)C2)n1 ZINC001014357408 656148511 /nfs/dbraw/zinc/14/85/11/656148511.db2.gz OVJSHSDEINIADB-MWLCHTKSSA-N 1 2 292.343 -1.009 20 0 CAADLO CCn1ncc(C(=O)N[C@@H]2CC[N@H+]([C@@H]3CCNC3=O)C2)n1 ZINC001014357408 656148513 /nfs/dbraw/zinc/14/85/13/656148513.db2.gz OVJSHSDEINIADB-MWLCHTKSSA-N 1 2 292.343 -1.009 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ncc[nH]2)C1 ZINC001014365212 656148536 /nfs/dbraw/zinc/14/85/36/656148536.db2.gz OFASCHUYDFWLAA-MRVPVSSYSA-N 1 2 251.290 -1.040 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2ncc[nH]2)C1 ZINC001014365212 656148538 /nfs/dbraw/zinc/14/85/38/656148538.db2.gz OFASCHUYDFWLAA-MRVPVSSYSA-N 1 2 251.290 -1.040 20 0 CAADLO Cc1noc(C[NH2+][C@H]2C[C@@H](C)N(C(=O)C(N)=O)C2)n1 ZINC000989380034 656148798 /nfs/dbraw/zinc/14/87/98/656148798.db2.gz AGHLIDZOZAWRPX-SVRRBLITSA-N 1 2 267.289 -1.058 20 0 CAADLO Cc1nnc(C[NH2+][C@@H]2C[C@H](C)N(C(=O)C(N)=O)C2)o1 ZINC000989379809 656148809 /nfs/dbraw/zinc/14/88/09/656148809.db2.gz JOIVOOJRIMPUAY-POYBYMJQSA-N 1 2 267.289 -1.058 20 0 CAADLO C[C@@H]1C[C@H]([NH2+]Cc2cnn(C)n2)CN1C(=O)C(N)=O ZINC000989384603 656148822 /nfs/dbraw/zinc/14/88/22/656148822.db2.gz OTCYLQGYDSRZJY-SFYZADRCSA-N 1 2 266.305 -1.621 20 0 CAADLO Cc1noc(C[NH2+][C@@H]2C[C@H](C)N(C(=O)C(N)=O)C2)n1 ZINC000989380033 656148835 /nfs/dbraw/zinc/14/88/35/656148835.db2.gz AGHLIDZOZAWRPX-POYBYMJQSA-N 1 2 267.289 -1.058 20 0 CAADLO C[C@@H]1C[C@@H]([NH2+]Cc2cnn(C)n2)CN1C(=O)C(N)=O ZINC000989384598 656149065 /nfs/dbraw/zinc/14/90/65/656149065.db2.gz OTCYLQGYDSRZJY-HTQZYQBOSA-N 1 2 266.305 -1.621 20 0 CAADLO C[C@H]1C[C@@H]([NH2+]Cc2ncnn2C)CN1C(=O)C(N)=O ZINC000989378875 656149093 /nfs/dbraw/zinc/14/90/93/656149093.db2.gz CYMKEXUUVRSJTF-JGVFFNPUSA-N 1 2 266.305 -1.621 20 0 CAADLO C[C@H]1C[C@@H]([NH2+]Cc2cnon2)CN1C(=O)C(N)=O ZINC000989398843 656149421 /nfs/dbraw/zinc/14/94/21/656149421.db2.gz QCGCUXDAIQXTEL-NKWVEPMBSA-N 1 2 253.262 -1.366 20 0 CAADLO CCn1ncnc1C[NH2+][C@H]1C[C@@H](C)N(C(=O)C(N)=O)C1 ZINC000989382825 656149529 /nfs/dbraw/zinc/14/95/29/656149529.db2.gz HGAMSISCDFYHRE-BDAKNGLRSA-N 1 2 280.332 -1.138 20 0 CAADLO CCn1ncnc1C[NH2+][C@@H]1C[C@H](C)N(C(=O)C(N)=O)C1 ZINC000989382827 656149583 /nfs/dbraw/zinc/14/95/83/656149583.db2.gz HGAMSISCDFYHRE-DTWKUNHWSA-N 1 2 280.332 -1.138 20 0 CAADLO CCCn1nnnc1C[NH2+][C@@H]1C[C@@H](C)N(C(=O)C(N)=O)C1 ZINC000989397784 656149619 /nfs/dbraw/zinc/14/96/19/656149619.db2.gz MZFLIFPPTZSBQA-RKDXNWHRSA-N 1 2 295.347 -1.353 20 0 CAADLO CCCn1nnnc1C[NH2+][C@@H]1C[C@H](C)N(C(=O)C(N)=O)C1 ZINC000989397780 656149723 /nfs/dbraw/zinc/14/97/23/656149723.db2.gz MZFLIFPPTZSBQA-DTWKUNHWSA-N 1 2 295.347 -1.353 20 0 CAADLO CCCn1nnnc1C[NH2+][C@H]1C[C@@H](C)N(C(=O)C(N)=O)C1 ZINC000989397777 656149742 /nfs/dbraw/zinc/14/97/42/656149742.db2.gz MZFLIFPPTZSBQA-BDAKNGLRSA-N 1 2 295.347 -1.353 20 0 CAADLO Cc1nnc(CC(=O)N[C@H]2CC[N@H+](CC(N)=O)C2)[nH]1 ZINC001014399225 656149968 /nfs/dbraw/zinc/14/99/68/656149968.db2.gz TWPPOSOPEQDZBJ-QMMMGPOBSA-N 1 2 266.305 -1.669 20 0 CAADLO Cc1nnc(CC(=O)N[C@H]2CC[N@@H+](CC(N)=O)C2)[nH]1 ZINC001014399225 656149970 /nfs/dbraw/zinc/14/99/70/656149970.db2.gz TWPPOSOPEQDZBJ-QMMMGPOBSA-N 1 2 266.305 -1.669 20 0 CAADLO NC(=O)C[N@@H+]1CCCN(C(=O)Cc2nnc[nH]2)CC1 ZINC000989452660 656150094 /nfs/dbraw/zinc/15/00/94/656150094.db2.gz INIADXOLIISHTK-UHFFFAOYSA-N 1 2 266.305 -1.633 20 0 CAADLO NC(=O)C[N@H+]1CCCN(C(=O)Cc2nnc[nH]2)CC1 ZINC000989452660 656150097 /nfs/dbraw/zinc/15/00/97/656150097.db2.gz INIADXOLIISHTK-UHFFFAOYSA-N 1 2 266.305 -1.633 20 0 CAADLO Cc1nnc(CC(=O)N[C@@H]2CC[N@H+](CC(N)=O)C2)[nH]1 ZINC001014399202 656150222 /nfs/dbraw/zinc/15/02/22/656150222.db2.gz TWPPOSOPEQDZBJ-MRVPVSSYSA-N 1 2 266.305 -1.669 20 0 CAADLO Cc1nnc(CC(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C2)[nH]1 ZINC001014399202 656150224 /nfs/dbraw/zinc/15/02/24/656150224.db2.gz TWPPOSOPEQDZBJ-MRVPVSSYSA-N 1 2 266.305 -1.669 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CCCN(C(=O)[C@@H]2CCC(=O)N2)CC1 ZINC000989516551 656150241 /nfs/dbraw/zinc/15/02/41/656150241.db2.gz XLNHUVODVMBNHH-UWVGGRQHSA-N 1 2 282.344 -1.327 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CCCN(C(=O)[C@@H]2CCC(=O)N2)CC1 ZINC000989516551 656150244 /nfs/dbraw/zinc/15/02/44/656150244.db2.gz XLNHUVODVMBNHH-UWVGGRQHSA-N 1 2 282.344 -1.327 20 0 CAADLO C[C@@H]1[C@@H](NC(=O)Cc2[nH]cc[nH+]2)CCN1C(=O)CC(N)=O ZINC000989497745 656150342 /nfs/dbraw/zinc/15/03/42/656150342.db2.gz YPHSNCMUWQKDHJ-BDAKNGLRSA-N 1 2 293.327 -1.067 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CCCN(C(=O)[C@@H]2CCC(=O)N2)CC1 ZINC000989516552 656150351 /nfs/dbraw/zinc/15/03/51/656150351.db2.gz XLNHUVODVMBNHH-ZJUUUORDSA-N 1 2 282.344 -1.327 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CCCN(C(=O)[C@@H]2CCC(=O)N2)CC1 ZINC000989516552 656150353 /nfs/dbraw/zinc/15/03/53/656150353.db2.gz XLNHUVODVMBNHH-ZJUUUORDSA-N 1 2 282.344 -1.327 20 0 CAADLO C[C@@H]1[C@@H](NC(=O)Cc2[nH]cc[nH+]2)CCN1C(=O)C(N)=O ZINC000989495878 656150375 /nfs/dbraw/zinc/15/03/75/656150375.db2.gz ZYEWTISASJETSO-SFYZADRCSA-N 1 2 279.300 -1.457 20 0 CAADLO CC(=O)N1CC[C@@H](C(=O)N2CCC[N@H+](CC(N)=O)CC2)C1 ZINC000989572873 656150691 /nfs/dbraw/zinc/15/06/91/656150691.db2.gz ONDSTRJSVPAKJD-GFCCVEGCSA-N 1 2 296.371 -1.126 20 0 CAADLO CC(=O)N1CC[C@@H](C(=O)N2CCC[N@@H+](CC(N)=O)CC2)C1 ZINC000989572873 656150694 /nfs/dbraw/zinc/15/06/94/656150694.db2.gz ONDSTRJSVPAKJD-GFCCVEGCSA-N 1 2 296.371 -1.126 20 0 CAADLO Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H](NC(=O)C(N)=O)[C@H]1C ZINC000989589712 656150833 /nfs/dbraw/zinc/15/08/33/656150833.db2.gz JNKOZNZIOQFPFC-BDAKNGLRSA-N 1 2 293.327 -1.148 20 0 CAADLO C[C@@H]1[C@@H](NC(=O)C(N)=O)CCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000989587674 656151217 /nfs/dbraw/zinc/15/12/17/656151217.db2.gz ITFAHTCIIKQPJE-KXUCPTDWSA-N 1 2 298.343 -2.092 20 0 CAADLO C[C@@H]1[C@@H](NC(=O)C(N)=O)CCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000989587674 656151218 /nfs/dbraw/zinc/15/12/18/656151218.db2.gz ITFAHTCIIKQPJE-KXUCPTDWSA-N 1 2 298.343 -2.092 20 0 CAADLO C[C@@H]1[C@@H](NC(=O)C(N)=O)CCN1C(=O)CCn1cc[nH+]c1 ZINC000989601220 656151695 /nfs/dbraw/zinc/15/16/95/656151695.db2.gz VGQSWWJNJYBKAB-ZJUUUORDSA-N 1 2 293.327 -1.136 20 0 CAADLO C[C@@H]1C[C@@H]([NH2+]CC(N)=O)CN1C(=O)Cc1ncn[nH]1 ZINC000989656593 656151721 /nfs/dbraw/zinc/15/17/21/656151721.db2.gz HKXCAFSCSAELOH-HTQZYQBOSA-N 1 2 266.305 -1.589 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CCCN(C(=O)Cn2cncn2)CC1 ZINC000989619392 656151907 /nfs/dbraw/zinc/15/19/07/656151907.db2.gz IFNDQDAGSAAMIG-JTQLQIEISA-N 1 2 280.332 -1.314 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CCCN(C(=O)Cn2cncn2)CC1 ZINC000989619392 656151910 /nfs/dbraw/zinc/15/19/10/656151910.db2.gz IFNDQDAGSAAMIG-JTQLQIEISA-N 1 2 280.332 -1.314 20 0 CAADLO C[C@@H]1[C@@H](NC(=O)C(N)=O)CCN1C(=O)CCc1c[nH]c[nH+]1 ZINC000989600678 656151954 /nfs/dbraw/zinc/15/19/54/656151954.db2.gz GOQFEIFMHLRKOD-SCZZXKLOSA-N 1 2 293.327 -1.067 20 0 CAADLO C[C@@H]1[C@@H](NC(=O)C(N)=O)CCN1C(=O)CCc1c[nH+]c[nH]1 ZINC000989600678 656151956 /nfs/dbraw/zinc/15/19/56/656151956.db2.gz GOQFEIFMHLRKOD-SCZZXKLOSA-N 1 2 293.327 -1.067 20 0 CAADLO CN1C[C@@H](C(=O)N2CCC[N@H+](CC(N)=O)CC2)CCC1=O ZINC000989745530 656152272 /nfs/dbraw/zinc/15/22/72/656152272.db2.gz RNTNEFAPICLKTR-NSHDSACASA-N 1 2 296.371 -1.126 20 0 CAADLO CN1C[C@@H](C(=O)N2CCC[N@@H+](CC(N)=O)CC2)CCC1=O ZINC000989745530 656152274 /nfs/dbraw/zinc/15/22/74/656152274.db2.gz RNTNEFAPICLKTR-NSHDSACASA-N 1 2 296.371 -1.126 20 0 CAADLO Cn1cc(C(=O)N2CCC[N@H+](CC(N)=O)CC2)n(C)c1=O ZINC000989752736 656152900 /nfs/dbraw/zinc/15/29/00/656152900.db2.gz UCARVAYRSVGLBY-UHFFFAOYSA-N 1 2 295.343 -1.643 20 0 CAADLO Cn1cc(C(=O)N2CCC[N@@H+](CC(N)=O)CC2)n(C)c1=O ZINC000989752736 656152903 /nfs/dbraw/zinc/15/29/03/656152903.db2.gz UCARVAYRSVGLBY-UHFFFAOYSA-N 1 2 295.343 -1.643 20 0 CAADLO NC(=O)C[N@@H+]1CCCN(C(=O)C[C@@H]2CC(=O)NC2=O)CC1 ZINC000989806664 656152930 /nfs/dbraw/zinc/15/29/30/656152930.db2.gz JZUWTUXYRFZOCL-VIFPVBQESA-N 1 2 296.327 -1.941 20 0 CAADLO NC(=O)C[N@H+]1CCCN(C(=O)C[C@@H]2CC(=O)NC2=O)CC1 ZINC000989806664 656152931 /nfs/dbraw/zinc/15/29/31/656152931.db2.gz JZUWTUXYRFZOCL-VIFPVBQESA-N 1 2 296.327 -1.941 20 0 CAADLO O=C(Cn1cc[nH+]c1)N1CC(NC(=O)[C@@H]2COCCO2)C1 ZINC000990286143 656157641 /nfs/dbraw/zinc/15/76/41/656157641.db2.gz GYOSDKVXCJXMCM-NSHDSACASA-N 1 2 294.311 -1.375 20 0 CAADLO C[C@@H]1[C@@H](NC(=O)Cc2c[nH]c[nH+]2)CCN1C(=O)C(N)=O ZINC000990433309 656160036 /nfs/dbraw/zinc/16/00/36/656160036.db2.gz UDPBCEBNIRKSOD-APPZFPTMSA-N 1 2 279.300 -1.457 20 0 CAADLO C[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)Cc2ncn[nH]2)C1 ZINC000990513537 656161828 /nfs/dbraw/zinc/16/18/28/656161828.db2.gz FAHDTISFJHFBJC-JTQLQIEISA-N 1 2 292.343 -1.232 20 0 CAADLO C[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)Cc2ncn[nH]2)C1 ZINC000990513537 656161830 /nfs/dbraw/zinc/16/18/30/656161830.db2.gz FAHDTISFJHFBJC-JTQLQIEISA-N 1 2 292.343 -1.232 20 0 CAADLO C[N@@H+]1CCC[C@@H]1C(=O)NC1CN(C(=O)Cc2ncn[nH]2)C1 ZINC000990513541 656162013 /nfs/dbraw/zinc/16/20/13/656162013.db2.gz FAHDTISFJHFBJC-SNVBAGLBSA-N 1 2 292.343 -1.232 20 0 CAADLO C[N@H+]1CCC[C@@H]1C(=O)NC1CN(C(=O)Cc2ncn[nH]2)C1 ZINC000990513541 656162015 /nfs/dbraw/zinc/16/20/15/656162015.db2.gz FAHDTISFJHFBJC-SNVBAGLBSA-N 1 2 292.343 -1.232 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CC(=O)N(C)C2)C1 ZINC001014616370 656163250 /nfs/dbraw/zinc/16/32/50/656163250.db2.gz KWXKSGYAXPJSTH-NXEZZACHSA-N 1 2 282.344 -1.599 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CC(=O)N(C)C2)C1 ZINC001014616370 656163251 /nfs/dbraw/zinc/16/32/51/656163251.db2.gz KWXKSGYAXPJSTH-NXEZZACHSA-N 1 2 282.344 -1.599 20 0 CAADLO CS(=O)(=O)N1CC(C(=O)N2CC[NH+](CCO)CC2)C1 ZINC000900147019 656164981 /nfs/dbraw/zinc/16/49/81/656164981.db2.gz GKANGBPKHDEFGK-UHFFFAOYSA-N 1 2 291.373 -1.986 20 0 CAADLO CN1CCO[C@@H](C(=O)NCCn2cc[nH+]c2)C1=O ZINC000900193965 656165446 /nfs/dbraw/zinc/16/54/46/656165446.db2.gz WBNBYGCLUVCWSC-VIFPVBQESA-N 1 2 252.274 -1.144 20 0 CAADLO C[C@H](C[NH+]1CCOCC1)NC(=O)CN1CCNC(=O)C1 ZINC000900209390 656166220 /nfs/dbraw/zinc/16/62/20/656166220.db2.gz RBUDZSVXQMUMKJ-LLVKDONJSA-N 1 2 284.360 -1.745 20 0 CAADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)CN1CCNC(=O)C1 ZINC000900216944 656166224 /nfs/dbraw/zinc/16/62/24/656166224.db2.gz ZVLAQTWQJNHWTF-JTQLQIEISA-N 1 2 265.317 -1.180 20 0 CAADLO C[C@H]1C[N@H+](CCNC(=O)[C@H]2COC(=O)N2)CCO1 ZINC000900487172 656167875 /nfs/dbraw/zinc/16/78/75/656167875.db2.gz XZOIARBUFWZCKH-DTWKUNHWSA-N 1 2 257.290 -1.068 20 0 CAADLO C[C@H]1C[N@@H+](CCNC(=O)[C@H]2COC(=O)N2)CCO1 ZINC000900487172 656167876 /nfs/dbraw/zinc/16/78/76/656167876.db2.gz XZOIARBUFWZCKH-DTWKUNHWSA-N 1 2 257.290 -1.068 20 0 CAADLO CN(CC[NH+]1CCOCC1)C(=O)CN1CCNC(=O)C1 ZINC000900518160 656168271 /nfs/dbraw/zinc/16/82/71/656168271.db2.gz MIBZAWUSBIFHOC-UHFFFAOYSA-N 1 2 284.360 -1.791 20 0 CAADLO CN1CCC[C@@H](C(=O)N2CCC[N@H+](CC(N)=O)CC2)C1=O ZINC000900566304 656169067 /nfs/dbraw/zinc/16/90/67/656169067.db2.gz QMIHIZIBKNNKKF-LLVKDONJSA-N 1 2 296.371 -1.126 20 0 CAADLO CN1CCC[C@@H](C(=O)N2CCC[N@@H+](CC(N)=O)CC2)C1=O ZINC000900566304 656169070 /nfs/dbraw/zinc/16/90/70/656169070.db2.gz QMIHIZIBKNNKKF-LLVKDONJSA-N 1 2 296.371 -1.126 20 0 CAADLO C[C@@H](NC(=O)CN1CCNC(=O)C1)[C@H](C)[NH+]1CCOCC1 ZINC000900594706 656169258 /nfs/dbraw/zinc/16/92/58/656169258.db2.gz RYIPEQFKPVVPLT-NEPJUHHUSA-N 1 2 298.387 -1.356 20 0 CAADLO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)[C@@H]1C[C@@H]1C(N)=O ZINC000900614134 656169569 /nfs/dbraw/zinc/16/95/69/656169569.db2.gz NLEPNWFGUKGKTL-GARJFASQSA-N 1 2 268.361 -1.140 20 0 CAADLO COCC[NH+]1CCN(C(=O)[C@H](O)C(C)(C)O)CC1 ZINC000900684248 656170126 /nfs/dbraw/zinc/17/01/26/656170126.db2.gz LCHHOVPEYCVHCB-JTQLQIEISA-N 1 2 260.334 -1.091 20 0 CAADLO COCC[NH+]1CCN(C(=O)[C@@H](O)C(C)(C)O)CC1 ZINC000900684249 656170270 /nfs/dbraw/zinc/17/02/70/656170270.db2.gz LCHHOVPEYCVHCB-SNVBAGLBSA-N 1 2 260.334 -1.091 20 0 CAADLO CN1CCO[C@@H](C(=O)NCCc2[nH]cc[nH+]2)C1=O ZINC000900647884 656170442 /nfs/dbraw/zinc/17/04/42/656170442.db2.gz UBEGOQFITQMKJC-VIFPVBQESA-N 1 2 252.274 -1.074 20 0 CAADLO O=C(CN1CCNC(=O)C1)N1CC(n2cc[nH+]c2)C1 ZINC000900717724 656171030 /nfs/dbraw/zinc/17/10/30/656171030.db2.gz PCJDKAIZTJLAMT-UHFFFAOYSA-N 1 2 263.301 -1.302 20 0 CAADLO CC(C)(O)[C@H](O)C(=O)N1CC[NH+](CCn2cncn2)CC1 ZINC000900796604 656171548 /nfs/dbraw/zinc/17/15/48/656171548.db2.gz NEPJTZQANBKSLF-LLVKDONJSA-N 1 2 297.359 -1.446 20 0 CAADLO C[C@H](NC(=O)[C@@H]1C[C@@H]1C(N)=O)[C@H]1CN(C)CC[N@@H+]1C ZINC000900806206 656171828 /nfs/dbraw/zinc/17/18/28/656171828.db2.gz SKUNLVJUGNAVRI-UKKRHICBSA-N 1 2 268.361 -1.142 20 0 CAADLO C[C@H](NC(=O)[C@@H]1C[C@@H]1C(N)=O)[C@H]1CN(C)CC[N@H+]1C ZINC000900806206 656171829 /nfs/dbraw/zinc/17/18/29/656171829.db2.gz SKUNLVJUGNAVRI-UKKRHICBSA-N 1 2 268.361 -1.142 20 0 CAADLO C[C@@H](NC(=O)[C@H]1COC(=O)N1)[C@@H]1CN(C)CC[N@@H+]1C ZINC000900804709 656171984 /nfs/dbraw/zinc/17/19/84/656171984.db2.gz LNLIRJBATRMNJS-BBBLOLIVSA-N 1 2 270.333 -1.155 20 0 CAADLO C[C@@H](NC(=O)[C@H]1COC(=O)N1)[C@@H]1CN(C)CC[N@H+]1C ZINC000900804709 656171989 /nfs/dbraw/zinc/17/19/89/656171989.db2.gz LNLIRJBATRMNJS-BBBLOLIVSA-N 1 2 270.333 -1.155 20 0 CAADLO C[C@H](NC(=O)[C@H]1COC(=O)N1)[C@@H]1CN(C)CC[N@@H+]1C ZINC000900804708 656172222 /nfs/dbraw/zinc/17/22/22/656172222.db2.gz LNLIRJBATRMNJS-AEJSXWLSSA-N 1 2 270.333 -1.155 20 0 CAADLO C[C@H](NC(=O)[C@H]1COC(=O)N1)[C@@H]1CN(C)CC[N@H+]1C ZINC000900804708 656172224 /nfs/dbraw/zinc/17/22/24/656172224.db2.gz LNLIRJBATRMNJS-AEJSXWLSSA-N 1 2 270.333 -1.155 20 0 CAADLO C[C@@H](NC(=O)[C@H]1COC(=O)N1)[C@H]1CN(C)CC[N@@H+]1C ZINC000900804711 656172298 /nfs/dbraw/zinc/17/22/98/656172298.db2.gz LNLIRJBATRMNJS-OPRDCNLKSA-N 1 2 270.333 -1.155 20 0 CAADLO C[C@@H](NC(=O)[C@H]1COC(=O)N1)[C@H]1CN(C)CC[N@H+]1C ZINC000900804711 656172301 /nfs/dbraw/zinc/17/23/01/656172301.db2.gz LNLIRJBATRMNJS-OPRDCNLKSA-N 1 2 270.333 -1.155 20 0 CAADLO Cc1[nH+]c[nH]c1CNC(=O)CN1CCNC(=O)C1 ZINC000900919834 656173077 /nfs/dbraw/zinc/17/30/77/656173077.db2.gz NTZTUBLLFZVSEC-UHFFFAOYSA-N 1 2 251.290 -1.234 20 0 CAADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@@H]1C[C@@H]1C(N)=O ZINC000900985222 656173994 /nfs/dbraw/zinc/17/39/94/656173994.db2.gz UGVIPKKBEQOPOB-GARJFASQSA-N 1 2 285.344 -1.741 20 0 CAADLO CN1CCO[C@H](C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)C1=O ZINC000901035564 656174828 /nfs/dbraw/zinc/17/48/28/656174828.db2.gz OMMHYOFIHCRBMZ-NEPJUHHUSA-N 1 2 297.355 -1.223 20 0 CAADLO O=C(CN1CCNC(=O)C1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000901036009 656175109 /nfs/dbraw/zinc/17/51/09/656175109.db2.gz PJELDFNOOUQRGK-GFCCVEGCSA-N 1 2 296.371 -1.649 20 0 CAADLO C/C(=C\C(=O)NCCOCC(N)=O)C[NH+]1CCOCC1 ZINC000901057300 656175331 /nfs/dbraw/zinc/17/53/31/656175331.db2.gz GSSHHXILDVTCSC-DHZHZOJOSA-N 1 2 285.344 -1.117 20 0 CAADLO O=C(CNC(=O)N1CCCC1)NC[C@H]1C[NH+]2CCN1CC2 ZINC000901163979 656178022 /nfs/dbraw/zinc/17/80/22/656178022.db2.gz JKWGRZWZZVBHHH-LBPRGKRZSA-N 1 2 295.387 -1.092 20 0 CAADLO COC[C@H](NC(=O)/C=C(\C)C[NH+]1CCOCC1)C(N)=O ZINC000901234145 656178837 /nfs/dbraw/zinc/17/88/37/656178837.db2.gz MQCVHZFTMPZXSR-HUYFXPKMSA-N 1 2 285.344 -1.119 20 0 CAADLO COC[C@H](NC(=O)/C=C(/C)C[NH+]1CCOCC1)C(N)=O ZINC000901234143 656179049 /nfs/dbraw/zinc/17/90/49/656179049.db2.gz MQCVHZFTMPZXSR-BRNRAETOSA-N 1 2 285.344 -1.119 20 0 CAADLO C/C(=C\C(=O)N[C@H]1CN(C)NC1=O)C[NH+]1CCOCC1 ZINC000901322159 656180645 /nfs/dbraw/zinc/18/06/45/656180645.db2.gz DUGYZUSLHIVITP-HUYFXPKMSA-N 1 2 282.344 -1.274 20 0 CAADLO C/C(=C\C(=O)N[C@@H]1CN(C)NC1=O)C[NH+]1CCOCC1 ZINC000901322160 656180777 /nfs/dbraw/zinc/18/07/77/656180777.db2.gz DUGYZUSLHIVITP-PFEDMVJOSA-N 1 2 282.344 -1.274 20 0 CAADLO C[C@H]1C[N@H+](CCNC(=O)CCNC(=O)CO)CCO1 ZINC000906489969 656193409 /nfs/dbraw/zinc/19/34/09/656193409.db2.gz XEWCKOKJOMZMOM-JTQLQIEISA-N 1 2 273.333 -1.678 20 0 CAADLO C[C@H]1C[N@@H+](CCNC(=O)CCNC(=O)CO)CCO1 ZINC000906489969 656193410 /nfs/dbraw/zinc/19/34/10/656193410.db2.gz XEWCKOKJOMZMOM-JTQLQIEISA-N 1 2 273.333 -1.678 20 0 CAADLO O=C(CO)NCCC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000906828025 656194773 /nfs/dbraw/zinc/19/47/73/656194773.db2.gz ZFVJFUNUCLIMFO-LBPRGKRZSA-N 1 2 299.371 -1.192 20 0 CAADLO COC(=O)CC(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000906929973 656195122 /nfs/dbraw/zinc/19/51/22/656195122.db2.gz UZLVFQKJSYCZOV-SNVBAGLBSA-N 1 2 274.317 -1.299 20 0 CAADLO Cn1c[nH+]cc1CCNC(=O)C1CN(S(C)(=O)=O)C1 ZINC000907309031 656196472 /nfs/dbraw/zinc/19/64/72/656196472.db2.gz YYYWJTDOHDNWQH-UHFFFAOYSA-N 1 2 286.357 -1.030 20 0 CAADLO Cn1c[nH+]cc1CCNC(=O)[C@H]1OCCN(C)C1=O ZINC000907308073 656196571 /nfs/dbraw/zinc/19/65/71/656196571.db2.gz OIRWAKJGCDSJNC-SNVBAGLBSA-N 1 2 266.301 -1.064 20 0 CAADLO C/C(=C\C(=O)N1CC[C@](O)(C(N)=O)C1)C[NH+]1CCOCC1 ZINC000907649103 656201664 /nfs/dbraw/zinc/20/16/64/656201664.db2.gz WGTVACLMQKUHKG-BMGYJQCNSA-N 1 2 297.355 -1.286 20 0 CAADLO O=C(CO)NCCC(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000907759449 656202331 /nfs/dbraw/zinc/20/23/31/656202331.db2.gz YEMLDDXDRVNSOO-UHFFFAOYSA-N 1 2 285.344 -1.534 20 0 CAADLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)CN1CCNC(=O)C1 ZINC000907836970 656202638 /nfs/dbraw/zinc/20/26/38/656202638.db2.gz RPERIWCEUDOJBX-GFCCVEGCSA-N 1 2 298.387 -1.403 20 0 CAADLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)CN1CCNC(=O)C1 ZINC000907836971 656202971 /nfs/dbraw/zinc/20/29/71/656202971.db2.gz RPERIWCEUDOJBX-LBPRGKRZSA-N 1 2 298.387 -1.403 20 0 CAADLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)CCNC(=O)CO ZINC000907834693 656203195 /nfs/dbraw/zinc/20/31/95/656203195.db2.gz AOIFINIRKZGNKE-LLVKDONJSA-N 1 2 287.360 -1.336 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCC(=O)N2)C1 ZINC001030022978 656204672 /nfs/dbraw/zinc/20/46/72/656204672.db2.gz MRQSSZZXCDNQDH-IVZWLZJFSA-N 1 2 282.344 -1.281 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCC(=O)N2)C1 ZINC001030022978 656204677 /nfs/dbraw/zinc/20/46/77/656204677.db2.gz MRQSSZZXCDNQDH-IVZWLZJFSA-N 1 2 282.344 -1.281 20 0 CAADLO NC(=O)CCC(=O)NC[C@@H]1CN2CC[N@@H+]1CCC2 ZINC000908027987 656205732 /nfs/dbraw/zinc/20/57/32/656205732.db2.gz JYZMWQGKQGKTTC-SNVBAGLBSA-N 1 2 254.334 -1.242 20 0 CAADLO NC(=O)CCC(=O)NC[C@@H]1CN2CC[N@H+]1CCC2 ZINC000908027987 656205733 /nfs/dbraw/zinc/20/57/33/656205733.db2.gz JYZMWQGKQGKTTC-SNVBAGLBSA-N 1 2 254.334 -1.242 20 0 CAADLO O=C(CN1CCNC(=O)C1)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000908135646 656207918 /nfs/dbraw/zinc/20/79/18/656207918.db2.gz TYRDCYRXNYPEIN-SNVBAGLBSA-N 1 2 277.328 -1.254 20 0 CAADLO Cn1nncc1C(=O)NC1CN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000991113764 656209517 /nfs/dbraw/zinc/20/95/17/656209517.db2.gz VWLJEJMKVHIIQW-UHFFFAOYSA-N 1 2 289.299 -1.279 20 0 CAADLO O=C(Cc1c[nH+]c[nH]1)N1CC(NC(=O)[C@@H]2COC(=O)N2)C1 ZINC000991125969 656209752 /nfs/dbraw/zinc/20/97/52/656209752.db2.gz NITMDHJXELTEHZ-VIFPVBQESA-N 1 2 293.283 -1.612 20 0 CAADLO O=C(Cc1c[nH+]c[nH]1)N1CC(NC(=O)[C@H]2COC(=O)N2)C1 ZINC000991125968 656209995 /nfs/dbraw/zinc/20/99/95/656209995.db2.gz NITMDHJXELTEHZ-SECBINFHSA-N 1 2 293.283 -1.612 20 0 CAADLO C[NH+](C)C[C@@H](CO)NC(=O)[C@@]1(C)CCCS1(=O)=O ZINC000908203118 656211372 /nfs/dbraw/zinc/21/13/72/656211372.db2.gz ZICXPTMKCNOCNQ-GXSJLCMTSA-N 1 2 278.374 -1.008 20 0 CAADLO C/C(=C/C(=O)N1CC(O)(CO)C1)C[NH+]1CCOCC1 ZINC000908477958 656215013 /nfs/dbraw/zinc/21/50/13/656215013.db2.gz IGTYYHSLKJQXFY-WDZFZDKYSA-N 1 2 270.329 -1.170 20 0 CAADLO Cn1cc(C(=O)NC2CN(C(=O)Cc3[nH]cc[nH+]3)C2)nn1 ZINC000991156838 656216166 /nfs/dbraw/zinc/21/61/66/656216166.db2.gz YUDUVORGAXODLV-UHFFFAOYSA-N 1 2 289.299 -1.279 20 0 CAADLO CC(=O)N[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C[C@@H]1O ZINC000991154692 656216348 /nfs/dbraw/zinc/21/63/48/656216348.db2.gz WIDNJDVBYVLYAX-MNOVXSKESA-N 1 2 266.301 -1.019 20 0 CAADLO CN1CCO[C@@H](C(=O)N[C@H]2Cc3c[nH+]cn3C2)C1=O ZINC000908757833 656216475 /nfs/dbraw/zinc/21/64/75/656216475.db2.gz CWPJMMPQBHJNIL-WPRPVWTQSA-N 1 2 264.285 -1.219 20 0 CAADLO CS(=O)(=O)N1CC(C(=O)N[C@H]2Cc3c[nH+]cn3C2)C1 ZINC000908761909 656216880 /nfs/dbraw/zinc/21/68/80/656216880.db2.gz ZUBZTYYLWFHXAT-VIFPVBQESA-N 1 2 284.341 -1.185 20 0 CAADLO CS(=O)(=O)N1CC(C(=O)N[C@@H]2Cc3c[nH+]cn3C2)C1 ZINC000908761891 656217083 /nfs/dbraw/zinc/21/70/83/656217083.db2.gz ZUBZTYYLWFHXAT-SECBINFHSA-N 1 2 284.341 -1.185 20 0 CAADLO CN1CCO[C@@H](C(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)C1=O ZINC000909024673 656217883 /nfs/dbraw/zinc/21/78/83/656217883.db2.gz IZIFOQUYNQDBHW-TUAOUCFPSA-N 1 2 297.355 -1.177 20 0 CAADLO CN1CCO[C@@H](C(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)C1=O ZINC000909024673 656217888 /nfs/dbraw/zinc/21/78/88/656217888.db2.gz IZIFOQUYNQDBHW-TUAOUCFPSA-N 1 2 297.355 -1.177 20 0 CAADLO Cn1cnc(C(=O)NC2CN(C(=O)Cn3cc[nH+]c3)C2)n1 ZINC000991181945 656219889 /nfs/dbraw/zinc/21/98/89/656219889.db2.gz ICFJRLUCLKYJQO-UHFFFAOYSA-N 1 2 289.299 -1.348 20 0 CAADLO Cn1c[nH+]c(CCNC(=O)C2CN(S(C)(=O)=O)C2)c1 ZINC000909856053 656220183 /nfs/dbraw/zinc/22/01/83/656220183.db2.gz KEZBDJXCSKNOFU-UHFFFAOYSA-N 1 2 286.357 -1.030 20 0 CAADLO NS(=O)(=O)C1CN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000910518700 656224182 /nfs/dbraw/zinc/22/41/82/656224182.db2.gz DJNYUUPSUATSJX-MRVPVSSYSA-N 1 2 284.341 -1.055 20 0 CAADLO NS(=O)(=O)C1CN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000910518701 656224578 /nfs/dbraw/zinc/22/45/78/656224578.db2.gz DJNYUUPSUATSJX-QMMMGPOBSA-N 1 2 284.341 -1.055 20 0 CAADLO C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)N1CC2(C1)CS(=O)(=O)C2 ZINC000910710319 656227989 /nfs/dbraw/zinc/22/79/89/656227989.db2.gz LHCIBLKUKVSAQW-KOLCDFICSA-N 1 2 288.369 -1.302 20 0 CAADLO C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)N1CC2(C1)CS(=O)(=O)C2 ZINC000910710319 656227992 /nfs/dbraw/zinc/22/79/92/656227992.db2.gz LHCIBLKUKVSAQW-KOLCDFICSA-N 1 2 288.369 -1.302 20 0 CAADLO C[N@@H+]1C[C@@H](O)C[C@@]1(C)C(=O)N1CC2(C1)CS(=O)(=O)C2 ZINC000910710321 656228447 /nfs/dbraw/zinc/22/84/47/656228447.db2.gz LHCIBLKUKVSAQW-ONGXEEELSA-N 1 2 288.369 -1.302 20 0 CAADLO C[N@H+]1C[C@@H](O)C[C@@]1(C)C(=O)N1CC2(C1)CS(=O)(=O)C2 ZINC000910710321 656228452 /nfs/dbraw/zinc/22/84/52/656228452.db2.gz LHCIBLKUKVSAQW-ONGXEEELSA-N 1 2 288.369 -1.302 20 0 CAADLO C[NH+]1CCN(C(=O)C(=O)N2C[C@@H]3CC[C@H](O)[C@@H]3C2)CC1 ZINC000910814642 656229629 /nfs/dbraw/zinc/22/96/29/656229629.db2.gz XMATUFSNKNPFLY-TUAOUCFPSA-N 1 2 281.356 -1.010 20 0 CAADLO O=C(NCCCCn1cc[nH+]c1)C(=O)N[C@@H]1CNOC1 ZINC000910972119 656231665 /nfs/dbraw/zinc/23/16/65/656231665.db2.gz QBLZJPRJKMJWGT-SNVBAGLBSA-N 1 2 281.316 -1.201 20 0 CAADLO O=C(NCCn1cc[nH+]c1)C(=O)N[C@H]1CNOC1 ZINC000910985854 656232130 /nfs/dbraw/zinc/23/21/30/656232130.db2.gz CNTZGJNLCOHFSN-QMMMGPOBSA-N 1 2 253.262 -1.981 20 0 CAADLO O=C(NCc1ccn2cc[nH+]c2c1)C(=O)N[C@H]1CNOC1 ZINC000911110622 656234274 /nfs/dbraw/zinc/23/42/74/656234274.db2.gz GAFYTWBKUJJAJS-JTQLQIEISA-N 1 2 289.295 -1.030 20 0 CAADLO O=C(NCc1ccn2cc[nH+]c2c1)C(=O)N[C@@H]1CNOC1 ZINC000911110623 656234578 /nfs/dbraw/zinc/23/45/78/656234578.db2.gz GAFYTWBKUJJAJS-SNVBAGLBSA-N 1 2 289.295 -1.030 20 0 CAADLO O=C(NCCCn1cc[nH+]c1)C(=O)N[C@H]1CNOC1 ZINC000911246156 656238792 /nfs/dbraw/zinc/23/87/92/656238792.db2.gz FIOZKGVVBJGCKE-VIFPVBQESA-N 1 2 267.289 -1.591 20 0 CAADLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CNOC2)C1 ZINC000911465145 656245030 /nfs/dbraw/zinc/24/50/30/656245030.db2.gz QZPJHDKGGVSJBV-NXEZZACHSA-N 1 2 293.327 -1.244 20 0 CAADLO CN(CCCn1cc[nH+]c1)C(=O)C(=O)N[C@H]1CNOC1 ZINC000911468419 656245384 /nfs/dbraw/zinc/24/53/84/656245384.db2.gz FHSCKVJPCWRRRE-JTQLQIEISA-N 1 2 281.316 -1.249 20 0 CAADLO COCC[NH+]1CCN(C(=O)C(=O)N[C@@H]2CNOC2)CC1 ZINC000911455168 656246321 /nfs/dbraw/zinc/24/63/21/656246321.db2.gz LKKAHVCUXCNYQZ-SNVBAGLBSA-N 1 2 286.332 -2.203 20 0 CAADLO CC[NH+]1CCN(C(=O)C(=O)N[C@@H]2CNOC2)CC1 ZINC000911461713 656247857 /nfs/dbraw/zinc/24/78/57/656247857.db2.gz NCHQNMACLNWUOD-SECBINFHSA-N 1 2 256.306 -1.830 20 0 CAADLO COCCOCC[NH+]1CCN(C(=O)[C@@H]2C[C@@H]2C(N)=O)CC1 ZINC000911921652 656256364 /nfs/dbraw/zinc/25/63/64/656256364.db2.gz MLUVMQDRKQVDSY-NWDGAFQWSA-N 1 2 299.371 -1.085 20 0 CAADLO C[N@@H+]1CCO[C@@H](C(=O)N2[C@@H](CO)CC[C@@H]2CO)C1 ZINC000912232373 656258799 /nfs/dbraw/zinc/25/87/99/656258799.db2.gz WNBJMMLEADBLMN-GMTAPVOTSA-N 1 2 258.318 -1.339 20 0 CAADLO C[N@H+]1CCO[C@@H](C(=O)N2[C@@H](CO)CC[C@@H]2CO)C1 ZINC000912232373 656258803 /nfs/dbraw/zinc/25/88/03/656258803.db2.gz WNBJMMLEADBLMN-GMTAPVOTSA-N 1 2 258.318 -1.339 20 0 CAADLO C[C@H](C(=O)NC1(CS(C)(=O)=O)COC1)[NH+](C)C ZINC000912260794 656258900 /nfs/dbraw/zinc/25/89/00/656258900.db2.gz ULTDTYBVBZMUKE-MRVPVSSYSA-N 1 2 264.347 -1.134 20 0 CAADLO C[C@@H]1C[N@H+](CCNC(=O)CN2CCNC(=O)C2)[C@@H](C)CO1 ZINC000912387317 656259122 /nfs/dbraw/zinc/25/91/22/656259122.db2.gz BKMRSHKXHAKPFX-NWDGAFQWSA-N 1 2 298.387 -1.356 20 0 CAADLO C[C@@H]1C[N@@H+](CCNC(=O)CN2CCNC(=O)C2)[C@@H](C)CO1 ZINC000912387317 656259124 /nfs/dbraw/zinc/25/91/24/656259124.db2.gz BKMRSHKXHAKPFX-NWDGAFQWSA-N 1 2 298.387 -1.356 20 0 CAADLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)CN1CCNC(=O)C1 ZINC000912387307 656259334 /nfs/dbraw/zinc/25/93/34/656259334.db2.gz BKMRSHKXHAKPFX-NEPJUHHUSA-N 1 2 298.387 -1.356 20 0 CAADLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)CN1CCNC(=O)C1 ZINC000912387307 656259335 /nfs/dbraw/zinc/25/93/35/656259335.db2.gz BKMRSHKXHAKPFX-NEPJUHHUSA-N 1 2 298.387 -1.356 20 0 CAADLO CN(C)[C@@H](C(=O)NC1=NCC(=O)N1C)c1c[nH+]cn1C ZINC000912498297 656261239 /nfs/dbraw/zinc/26/12/39/656261239.db2.gz OCHJTDLLKCVBOO-SNVBAGLBSA-N 1 2 278.316 -1.033 20 0 CAADLO C[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](O)C[C@]2(C)CO)C1 ZINC000912664533 656263824 /nfs/dbraw/zinc/26/38/24/656263824.db2.gz COGBCUZRLVQJJC-JBLDHEPKSA-N 1 2 258.318 -1.339 20 0 CAADLO C[N@H+]1CCO[C@H](C(=O)N2C[C@@H](O)C[C@]2(C)CO)C1 ZINC000912664533 656263829 /nfs/dbraw/zinc/26/38/29/656263829.db2.gz COGBCUZRLVQJJC-JBLDHEPKSA-N 1 2 258.318 -1.339 20 0 CAADLO C[N@@H+]1CCN(C(=O)c2cccn3nnnc23)[C@@H](CO)C1 ZINC000912734821 656264210 /nfs/dbraw/zinc/26/42/10/656264210.db2.gz PSTQVFPIAHEYLG-SECBINFHSA-N 1 2 276.300 -1.127 20 0 CAADLO C[N@H+]1CCN(C(=O)c2cccn3nnnc23)[C@@H](CO)C1 ZINC000912734821 656264214 /nfs/dbraw/zinc/26/42/14/656264214.db2.gz PSTQVFPIAHEYLG-SECBINFHSA-N 1 2 276.300 -1.127 20 0 CAADLO C[N@@H+]1CCN(C(=O)c2cccn3nnnc23)[C@H](CO)C1 ZINC000912734822 656264503 /nfs/dbraw/zinc/26/45/03/656264503.db2.gz PSTQVFPIAHEYLG-VIFPVBQESA-N 1 2 276.300 -1.127 20 0 CAADLO C[N@H+]1CCN(C(=O)c2cccn3nnnc23)[C@H](CO)C1 ZINC000912734822 656264507 /nfs/dbraw/zinc/26/45/07/656264507.db2.gz PSTQVFPIAHEYLG-VIFPVBQESA-N 1 2 276.300 -1.127 20 0 CAADLO CN1CCO[C@@H](C(=O)N2CC[N@H+](C)C[C@@H]2CO)C1=O ZINC000912733966 656264782 /nfs/dbraw/zinc/26/47/82/656264782.db2.gz ATJQQZPDMXKETA-NXEZZACHSA-N 1 2 271.317 -2.022 20 0 CAADLO CN1CCO[C@@H](C(=O)N2CC[N@@H+](C)C[C@@H]2CO)C1=O ZINC000912733966 656264785 /nfs/dbraw/zinc/26/47/85/656264785.db2.gz ATJQQZPDMXKETA-NXEZZACHSA-N 1 2 271.317 -2.022 20 0 CAADLO COC(=O)[C@@H]1CC[C@H](C(=O)N2CC[N@H+](C)C[C@H]2CO)O1 ZINC000912734521 656264859 /nfs/dbraw/zinc/26/48/59/656264859.db2.gz LNHMLNBVUAMUSH-AXFHLTTASA-N 1 2 286.328 -1.158 20 0 CAADLO COC(=O)[C@@H]1CC[C@H](C(=O)N2CC[N@@H+](C)C[C@H]2CO)O1 ZINC000912734521 656264863 /nfs/dbraw/zinc/26/48/63/656264863.db2.gz LNHMLNBVUAMUSH-AXFHLTTASA-N 1 2 286.328 -1.158 20 0 CAADLO CN1C[C@H](C(=O)N2CC[N@H+](C)C[C@@H]2CO)NC1=O ZINC000912736006 656264974 /nfs/dbraw/zinc/26/49/74/656264974.db2.gz LOIGJCSWEXLOAA-RKDXNWHRSA-N 1 2 256.306 -1.855 20 0 CAADLO CN1C[C@H](C(=O)N2CC[N@@H+](C)C[C@@H]2CO)NC1=O ZINC000912736006 656264976 /nfs/dbraw/zinc/26/49/76/656264976.db2.gz LOIGJCSWEXLOAA-RKDXNWHRSA-N 1 2 256.306 -1.855 20 0 CAADLO CN1CCO[C@@H](C(=O)N2CC[N@H+](C)C[C@H]2CO)C1=O ZINC000912733968 656265074 /nfs/dbraw/zinc/26/50/74/656265074.db2.gz ATJQQZPDMXKETA-VHSXEESVSA-N 1 2 271.317 -2.022 20 0 CAADLO CN1CCO[C@@H](C(=O)N2CC[N@@H+](C)C[C@H]2CO)C1=O ZINC000912733968 656265079 /nfs/dbraw/zinc/26/50/79/656265079.db2.gz ATJQQZPDMXKETA-VHSXEESVSA-N 1 2 271.317 -2.022 20 0 CAADLO CN(C)S(=O)(=O)CC(=O)N1CC[N@H+](C)C[C@@H]1CO ZINC000912740343 656265293 /nfs/dbraw/zinc/26/52/93/656265293.db2.gz VFHMNMPIMHBVSO-SECBINFHSA-N 1 2 279.362 -1.987 20 0 CAADLO CN(C)S(=O)(=O)CC(=O)N1CC[N@@H+](C)C[C@@H]1CO ZINC000912740343 656265295 /nfs/dbraw/zinc/26/52/95/656265295.db2.gz VFHMNMPIMHBVSO-SECBINFHSA-N 1 2 279.362 -1.987 20 0 CAADLO Cn1cc([C@@H](O)C(=O)N2CC[N@H+](C)C[C@H]2CO)cn1 ZINC000912738706 656265322 /nfs/dbraw/zinc/26/53/22/656265322.db2.gz IRLLSYJFLLIKBZ-WDEREUQCSA-N 1 2 268.317 -1.412 20 0 CAADLO Cn1cc([C@@H](O)C(=O)N2CC[N@@H+](C)C[C@H]2CO)cn1 ZINC000912738706 656265327 /nfs/dbraw/zinc/26/53/27/656265327.db2.gz IRLLSYJFLLIKBZ-WDEREUQCSA-N 1 2 268.317 -1.412 20 0 CAADLO CCS(=O)(=O)N[C@H](C)C(=O)N1CC[N@H+](C)C[C@H]1CO ZINC000912737354 656265478 /nfs/dbraw/zinc/26/54/78/656265478.db2.gz KDZZCMPBRJMEBV-ZJUUUORDSA-N 1 2 293.389 -1.551 20 0 CAADLO CCS(=O)(=O)N[C@H](C)C(=O)N1CC[N@@H+](C)C[C@H]1CO ZINC000912737354 656265482 /nfs/dbraw/zinc/26/54/82/656265482.db2.gz KDZZCMPBRJMEBV-ZJUUUORDSA-N 1 2 293.389 -1.551 20 0 CAADLO Cn1cc([C@H](O)C(=O)N2CC[N@H+](C)C[C@H]2CO)cn1 ZINC000912738705 656265630 /nfs/dbraw/zinc/26/56/30/656265630.db2.gz IRLLSYJFLLIKBZ-QWRGUYRKSA-N 1 2 268.317 -1.412 20 0 CAADLO Cn1cc([C@H](O)C(=O)N2CC[N@@H+](C)C[C@H]2CO)cn1 ZINC000912738705 656265635 /nfs/dbraw/zinc/26/56/35/656265635.db2.gz IRLLSYJFLLIKBZ-QWRGUYRKSA-N 1 2 268.317 -1.412 20 0 CAADLO C[N@@H+]1CCN(C(=O)[C@H]2CCOC(=O)N2)[C@H](CO)C1 ZINC000912737918 656265700 /nfs/dbraw/zinc/26/57/00/656265700.db2.gz XJBNVIKPXHHKKG-DTWKUNHWSA-N 1 2 257.290 -1.380 20 0 CAADLO C[N@H+]1CCN(C(=O)[C@H]2CCOC(=O)N2)[C@H](CO)C1 ZINC000912737918 656265701 /nfs/dbraw/zinc/26/57/01/656265701.db2.gz XJBNVIKPXHHKKG-DTWKUNHWSA-N 1 2 257.290 -1.380 20 0 CAADLO C[N@@H+]1CCN(C(=O)C(=O)NCC(F)F)[C@H](CO)C1 ZINC000912739729 656265711 /nfs/dbraw/zinc/26/57/11/656265711.db2.gz FYKFOURWTSOQQE-ZETCQYMHSA-N 1 2 265.260 -1.497 20 0 CAADLO C[N@H+]1CCN(C(=O)C(=O)NCC(F)F)[C@H](CO)C1 ZINC000912739729 656265714 /nfs/dbraw/zinc/26/57/14/656265714.db2.gz FYKFOURWTSOQQE-ZETCQYMHSA-N 1 2 265.260 -1.497 20 0 CAADLO Cn1cc(C[C@H](O)C(=O)N2CC[N@H+](C)C[C@@H]2CO)cn1 ZINC000912740527 656265908 /nfs/dbraw/zinc/26/59/08/656265908.db2.gz YVYLZOHNRRXSSA-NEPJUHHUSA-N 1 2 282.344 -1.542 20 0 CAADLO Cn1cc(C[C@H](O)C(=O)N2CC[N@@H+](C)C[C@@H]2CO)cn1 ZINC000912740527 656265911 /nfs/dbraw/zinc/26/59/11/656265911.db2.gz YVYLZOHNRRXSSA-NEPJUHHUSA-N 1 2 282.344 -1.542 20 0 CAADLO C[N@@H+]1CCN(C(=O)c2cccc(C(N)=O)n2)[C@H](CO)C1 ZINC000912739617 656266060 /nfs/dbraw/zinc/26/60/60/656266060.db2.gz CJJRWKKPFJYRNF-VIFPVBQESA-N 1 2 278.312 -1.071 20 0 CAADLO C[N@H+]1CCN(C(=O)c2cccc(C(N)=O)n2)[C@H](CO)C1 ZINC000912739617 656266064 /nfs/dbraw/zinc/26/60/64/656266064.db2.gz CJJRWKKPFJYRNF-VIFPVBQESA-N 1 2 278.312 -1.071 20 0 CAADLO Cn1cc([C@@H](O)C(=O)N2CC[N@H+](C)C[C@@H]2CO)cn1 ZINC000912738703 656266084 /nfs/dbraw/zinc/26/60/84/656266084.db2.gz IRLLSYJFLLIKBZ-GHMZBOCLSA-N 1 2 268.317 -1.412 20 0 CAADLO Cn1cc([C@@H](O)C(=O)N2CC[N@@H+](C)C[C@@H]2CO)cn1 ZINC000912738703 656266086 /nfs/dbraw/zinc/26/60/86/656266086.db2.gz IRLLSYJFLLIKBZ-GHMZBOCLSA-N 1 2 268.317 -1.412 20 0 CAADLO CN1C(=O)CC[C@H]1C(=O)N1CC[N@H+](C)C[C@@H]1CO ZINC000912740019 656266093 /nfs/dbraw/zinc/26/60/93/656266093.db2.gz MUWNXUZQERGDBE-ZJUUUORDSA-N 1 2 255.318 -1.258 20 0 CAADLO CN1C(=O)CC[C@H]1C(=O)N1CC[N@@H+](C)C[C@@H]1CO ZINC000912740019 656266096 /nfs/dbraw/zinc/26/60/96/656266096.db2.gz MUWNXUZQERGDBE-ZJUUUORDSA-N 1 2 255.318 -1.258 20 0 CAADLO C[C@@H]1OC(=O)N[C@@H]1C(=O)N1CC[N@H+](C)C[C@@H]1CO ZINC000912739755 656266142 /nfs/dbraw/zinc/26/61/42/656266142.db2.gz GQMJWCVLZBDEAX-YIZRAAEISA-N 1 2 257.290 -1.382 20 0 CAADLO C[C@@H]1OC(=O)N[C@@H]1C(=O)N1CC[N@@H+](C)C[C@@H]1CO ZINC000912739755 656266147 /nfs/dbraw/zinc/26/61/47/656266147.db2.gz GQMJWCVLZBDEAX-YIZRAAEISA-N 1 2 257.290 -1.382 20 0 CAADLO C[C@@H]1OC(=O)N[C@@H]1C(=O)N1CC[N@H+](C)C[C@H]1CO ZINC000912739752 656266184 /nfs/dbraw/zinc/26/61/84/656266184.db2.gz GQMJWCVLZBDEAX-CIUDSAMLSA-N 1 2 257.290 -1.382 20 0 CAADLO C[C@@H]1OC(=O)N[C@@H]1C(=O)N1CC[N@@H+](C)C[C@H]1CO ZINC000912739752 656266188 /nfs/dbraw/zinc/26/61/88/656266188.db2.gz GQMJWCVLZBDEAX-CIUDSAMLSA-N 1 2 257.290 -1.382 20 0 CAADLO Cn1cc(C[C@H](O)C(=O)N2CC[N@H+](C)C[C@H]2CO)cn1 ZINC000912740529 656266198 /nfs/dbraw/zinc/26/61/98/656266198.db2.gz YVYLZOHNRRXSSA-RYUDHWBXSA-N 1 2 282.344 -1.542 20 0 CAADLO Cn1cc(C[C@H](O)C(=O)N2CC[N@@H+](C)C[C@H]2CO)cn1 ZINC000912740529 656266204 /nfs/dbraw/zinc/26/62/04/656266204.db2.gz YVYLZOHNRRXSSA-RYUDHWBXSA-N 1 2 282.344 -1.542 20 0 CAADLO Cn1cc([C@H](O)C(=O)N2CC[N@H+](C)C[C@@H]2CO)cn1 ZINC000912738704 656266236 /nfs/dbraw/zinc/26/62/36/656266236.db2.gz IRLLSYJFLLIKBZ-MNOVXSKESA-N 1 2 268.317 -1.412 20 0 CAADLO Cn1cc([C@H](O)C(=O)N2CC[N@@H+](C)C[C@@H]2CO)cn1 ZINC000912738704 656266241 /nfs/dbraw/zinc/26/62/41/656266241.db2.gz IRLLSYJFLLIKBZ-MNOVXSKESA-N 1 2 268.317 -1.412 20 0 CAADLO C[N@@H+]1CCN(C(=O)[C@H](O)C2CCOCC2)[C@H](CO)C1 ZINC000912744290 656266540 /nfs/dbraw/zinc/26/65/40/656266540.db2.gz SSRGFRYOZDQMRU-NWDGAFQWSA-N 1 2 272.345 -1.091 20 0 CAADLO C[N@H+]1CCN(C(=O)[C@H](O)C2CCOCC2)[C@H](CO)C1 ZINC000912744290 656266543 /nfs/dbraw/zinc/26/65/43/656266543.db2.gz SSRGFRYOZDQMRU-NWDGAFQWSA-N 1 2 272.345 -1.091 20 0 CAADLO C[C@@H](NS(C)(=O)=O)C(=O)N1CC[N@@H+](C)C[C@@H]1CO ZINC000912744062 656267130 /nfs/dbraw/zinc/26/71/30/656267130.db2.gz MJSQQFOCYJUSFM-RKDXNWHRSA-N 1 2 279.362 -1.941 20 0 CAADLO C[N@@H+]1CCN(C(=O)CSCC(N)=O)[C@@H](CO)C1 ZINC000912744179 656266870 /nfs/dbraw/zinc/26/68/70/656266870.db2.gz PZWPJRDTKQSDCB-MRVPVSSYSA-N 1 2 261.347 -1.660 20 0 CAADLO C[N@H+]1CCN(C(=O)CSCC(N)=O)[C@@H](CO)C1 ZINC000912744179 656266874 /nfs/dbraw/zinc/26/68/74/656266874.db2.gz PZWPJRDTKQSDCB-MRVPVSSYSA-N 1 2 261.347 -1.660 20 0 CAADLO C[C@@H](NS(C)(=O)=O)C(=O)N1CC[N@H+](C)C[C@@H]1CO ZINC000912744062 656267123 /nfs/dbraw/zinc/26/71/23/656267123.db2.gz MJSQQFOCYJUSFM-RKDXNWHRSA-N 1 2 279.362 -1.941 20 0 CAADLO C[C@@H](NS(C)(=O)=O)C(=O)N1CC[N@H+](C)C[C@H]1CO ZINC000912744059 656267433 /nfs/dbraw/zinc/26/74/33/656267433.db2.gz MJSQQFOCYJUSFM-BDAKNGLRSA-N 1 2 279.362 -1.941 20 0 CAADLO C[C@@H](NS(C)(=O)=O)C(=O)N1CC[N@@H+](C)C[C@H]1CO ZINC000912744059 656267440 /nfs/dbraw/zinc/26/74/40/656267440.db2.gz MJSQQFOCYJUSFM-BDAKNGLRSA-N 1 2 279.362 -1.941 20 0 CAADLO C[N@@H+]1CCN(C(=O)c2cc(=O)[nH]cn2)[C@H](CO)C1 ZINC000912751293 656267627 /nfs/dbraw/zinc/26/76/27/656267627.db2.gz CNXPWZMDAYEWCN-QMMMGPOBSA-N 1 2 252.274 -1.069 20 0 CAADLO C[N@H+]1CCN(C(=O)c2cc(=O)[nH]cn2)[C@H](CO)C1 ZINC000912751293 656267630 /nfs/dbraw/zinc/26/76/30/656267630.db2.gz CNXPWZMDAYEWCN-QMMMGPOBSA-N 1 2 252.274 -1.069 20 0 CAADLO COC(=O)c1cc(C(=O)N2CC[N@H+](C)C[C@@H]2CO)n(C)n1 ZINC000912751317 656267818 /nfs/dbraw/zinc/26/78/18/656267818.db2.gz DQMGJCIGLSRLRY-SECBINFHSA-N 1 2 296.327 -1.045 20 0 CAADLO COC(=O)c1cc(C(=O)N2CC[N@@H+](C)C[C@@H]2CO)n(C)n1 ZINC000912751317 656267819 /nfs/dbraw/zinc/26/78/19/656267819.db2.gz DQMGJCIGLSRLRY-SECBINFHSA-N 1 2 296.327 -1.045 20 0 CAADLO NC(=O)[C@@H]1C[C@@H]1C(=O)NCC[N@@H+]1CCC2(C1)OCCO2 ZINC000912893713 656268534 /nfs/dbraw/zinc/26/85/34/656268534.db2.gz FILOCWYRQTWTGX-ZJUUUORDSA-N 1 2 283.328 -1.327 20 0 CAADLO NC(=O)[C@@H]1C[C@@H]1C(=O)NCC[N@H+]1CCC2(C1)OCCO2 ZINC000912893713 656268538 /nfs/dbraw/zinc/26/85/38/656268538.db2.gz FILOCWYRQTWTGX-ZJUUUORDSA-N 1 2 283.328 -1.327 20 0 CAADLO O=C(NCC[N@@H+]1CCC2(C1)OCCO2)[C@@]1(O)CCOC1 ZINC000912897151 656268691 /nfs/dbraw/zinc/26/86/91/656268691.db2.gz LJRGDIILKUJBKL-GFCCVEGCSA-N 1 2 286.328 -1.297 20 0 CAADLO O=C(NCC[N@H+]1CCC2(C1)OCCO2)[C@@]1(O)CCOC1 ZINC000912897151 656268696 /nfs/dbraw/zinc/26/86/96/656268696.db2.gz LJRGDIILKUJBKL-GFCCVEGCSA-N 1 2 286.328 -1.297 20 0 CAADLO CN1C[C@@H](C(=O)NCC[N@@H+]2CCC3(C2)OCCO3)NC1=O ZINC000912897184 656269398 /nfs/dbraw/zinc/26/93/98/656269398.db2.gz LVDUJWUMNJKZSX-JTQLQIEISA-N 1 2 298.343 -1.425 20 0 CAADLO CN1C[C@@H](C(=O)NCC[N@H+]2CCC3(C2)OCCO3)NC1=O ZINC000912897184 656269402 /nfs/dbraw/zinc/26/94/02/656269402.db2.gz LVDUJWUMNJKZSX-JTQLQIEISA-N 1 2 298.343 -1.425 20 0 CAADLO COC[C@@](C)(O)C(=O)NCC[N@@H+]1CCC2(C1)OCCO2 ZINC000912897246 656269666 /nfs/dbraw/zinc/26/96/66/656269666.db2.gz WJSCBCHACUETLW-GFCCVEGCSA-N 1 2 288.344 -1.051 20 0 CAADLO COC[C@@](C)(O)C(=O)NCC[N@H+]1CCC2(C1)OCCO2 ZINC000912897246 656269668 /nfs/dbraw/zinc/26/96/68/656269668.db2.gz WJSCBCHACUETLW-GFCCVEGCSA-N 1 2 288.344 -1.051 20 0 CAADLO CC[C@@H](C(=O)N1CC(O)(C(N)=O)C1)[N@@H+]1CCO[C@@H](CC)C1 ZINC000913072507 656270237 /nfs/dbraw/zinc/27/02/37/656270237.db2.gz KCGPNQPTYWIODF-QWRGUYRKSA-N 1 2 299.371 -1.066 20 0 CAADLO CC[C@@H](C(=O)N1CC(O)(C(N)=O)C1)[N@H+]1CCO[C@@H](CC)C1 ZINC000913072507 656270243 /nfs/dbraw/zinc/27/02/43/656270243.db2.gz KCGPNQPTYWIODF-QWRGUYRKSA-N 1 2 299.371 -1.066 20 0 CAADLO C/C(=C/C(=O)N1CC(O)(C(N)=O)C1)C[NH+]1CCOCC1 ZINC000913071142 656270440 /nfs/dbraw/zinc/27/04/40/656270440.db2.gz LMYJLLWEJDLCNY-POHAHGRESA-N 1 2 283.328 -1.677 20 0 CAADLO NC(=O)C1(O)CN(C(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC000913072322 656270490 /nfs/dbraw/zinc/27/04/90/656270490.db2.gz GXZRVZAIXIDSRO-NSHDSACASA-N 1 2 297.355 -1.312 20 0 CAADLO NC(=O)C1(O)CN(C(=O)[C@@H]2COCC[N@H+]2C2CCCC2)C1 ZINC000913072322 656270497 /nfs/dbraw/zinc/27/04/97/656270497.db2.gz GXZRVZAIXIDSRO-NSHDSACASA-N 1 2 297.355 -1.312 20 0 CAADLO CC[C@H](C(=O)N1CC(O)(C(N)=O)C1)[N@@H+]1CCO[C@H](CC)C1 ZINC000913072505 656270592 /nfs/dbraw/zinc/27/05/92/656270592.db2.gz KCGPNQPTYWIODF-GHMZBOCLSA-N 1 2 299.371 -1.066 20 0 CAADLO CC[C@H](C(=O)N1CC(O)(C(N)=O)C1)[N@H+]1CCO[C@H](CC)C1 ZINC000913072505 656270597 /nfs/dbraw/zinc/27/05/97/656270597.db2.gz KCGPNQPTYWIODF-GHMZBOCLSA-N 1 2 299.371 -1.066 20 0 CAADLO C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)N[C@@H]1COCCC1=O ZINC000913149117 656272772 /nfs/dbraw/zinc/27/27/72/656272772.db2.gz QNKYBKHTNWUNPU-LNLATYFQSA-N 1 2 256.302 -1.084 20 0 CAADLO C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)N[C@@H]1COCCC1=O ZINC000913149117 656272777 /nfs/dbraw/zinc/27/27/77/656272777.db2.gz QNKYBKHTNWUNPU-LNLATYFQSA-N 1 2 256.302 -1.084 20 0 CAADLO CCN1CCO[C@H](C(=O)NC[C@@]2(CO)COCC[NH2+]2)C1 ZINC000913186497 656277252 /nfs/dbraw/zinc/27/72/52/656277252.db2.gz IHBNZRLEJLERCA-WCQYABFASA-N 1 2 287.360 -1.826 20 0 CAADLO O=C(CCN1CCOCC1)NC[C@]1(CO)COCC[NH2+]1 ZINC000913191846 656278618 /nfs/dbraw/zinc/27/86/18/656278618.db2.gz UEJABLLMXHYZKD-ZDUSSCGKSA-N 1 2 287.360 -1.824 20 0 CAADLO O=C(CC[NH+]1CCOCC1)NC[C@]1(CO)COCCN1 ZINC000913191846 656278621 /nfs/dbraw/zinc/27/86/21/656278621.db2.gz UEJABLLMXHYZKD-ZDUSSCGKSA-N 1 2 287.360 -1.824 20 0 CAADLO O=C(C=CC[NH+]1CCOCC1)Nn1ccc(=O)[nH]c1=O ZINC000913239812 656280307 /nfs/dbraw/zinc/28/03/07/656280307.db2.gz RDHNVENUNGDNOK-UPHRSURJSA-N 1 2 280.284 -1.093 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001030028750 656280340 /nfs/dbraw/zinc/28/03/40/656280340.db2.gz MRQSSZZXCDNQDH-AEJSXWLSSA-N 1 2 282.344 -1.281 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001030028750 656280347 /nfs/dbraw/zinc/28/03/47/656280347.db2.gz MRQSSZZXCDNQDH-AEJSXWLSSA-N 1 2 282.344 -1.281 20 0 CAADLO O=C(C=CC[NH+]1CCOCC1)Nn1ccc(=O)[nH]c1=O ZINC000913239811 656280542 /nfs/dbraw/zinc/28/05/42/656280542.db2.gz RDHNVENUNGDNOK-OWOJBTEDSA-N 1 2 280.284 -1.093 20 0 CAADLO C[N@H+](CC(=O)N[C@@H]1CS(=O)(=O)C[C@H]1O)C1CCC1 ZINC000913366998 656282284 /nfs/dbraw/zinc/28/22/84/656282284.db2.gz XNIUUAVGBGLOLU-NXEZZACHSA-N 1 2 276.358 -1.255 20 0 CAADLO C[N@@H+](CC(=O)N[C@@H]1CS(=O)(=O)C[C@H]1O)C1CCC1 ZINC000913366998 656282289 /nfs/dbraw/zinc/28/22/89/656282289.db2.gz XNIUUAVGBGLOLU-NXEZZACHSA-N 1 2 276.358 -1.255 20 0 CAADLO O=C(CN1CCNC(=O)C1)N1CC[NH2+][C@@H](c2cn[nH]c2)C1 ZINC000913439117 656282301 /nfs/dbraw/zinc/28/23/01/656282301.db2.gz ZBQZZQJJNDDBJM-LLVKDONJSA-N 1 2 292.343 -1.686 20 0 CAADLO CN(C[C@H]1C[N@H+](C)CCO1)C(=O)[C@@H](O)C(C)(C)O ZINC000913506942 656282323 /nfs/dbraw/zinc/28/23/23/656282323.db2.gz JRIAKUIWXGFFNG-NXEZZACHSA-N 1 2 260.334 -1.093 20 0 CAADLO CN(C[C@H]1C[N@@H+](C)CCO1)C(=O)[C@@H](O)C(C)(C)O ZINC000913506942 656282329 /nfs/dbraw/zinc/28/23/29/656282329.db2.gz JRIAKUIWXGFFNG-NXEZZACHSA-N 1 2 260.334 -1.093 20 0 CAADLO CN(C[C@H]1C[N@H+](C)CCO1)C(=O)[C@H](O)C(C)(C)O ZINC000913506945 656282552 /nfs/dbraw/zinc/28/25/52/656282552.db2.gz JRIAKUIWXGFFNG-ZJUUUORDSA-N 1 2 260.334 -1.093 20 0 CAADLO CN(C[C@H]1C[N@@H+](C)CCO1)C(=O)[C@H](O)C(C)(C)O ZINC000913506945 656282553 /nfs/dbraw/zinc/28/25/53/656282553.db2.gz JRIAKUIWXGFFNG-ZJUUUORDSA-N 1 2 260.334 -1.093 20 0 CAADLO Cn1cc([C@@H]2CN(C(=O)[C@H]3CN(C)C(=O)N3)CC[NH2+]2)cn1 ZINC000913456494 656282746 /nfs/dbraw/zinc/28/27/46/656282746.db2.gz KMOABIVROTYKPJ-WDEREUQCSA-N 1 2 292.343 -1.083 20 0 CAADLO O=C(CN1CCOCC1=O)N1CC[NH2+][C@@H](c2cn[nH]c2)C1 ZINC000913452708 656282897 /nfs/dbraw/zinc/28/28/97/656282897.db2.gz KCFVABVHUKOQCV-LLVKDONJSA-N 1 2 293.327 -1.259 20 0 CAADLO CN(C[C@H]1C[N@H+](C)CCO1)C(=O)[C@@H]1C[C@@H]1C(N)=O ZINC000913506746 656282975 /nfs/dbraw/zinc/28/29/75/656282975.db2.gz HXRWPZYCXOMALA-KXUCPTDWSA-N 1 2 255.318 -1.103 20 0 CAADLO CN(C[C@H]1C[N@@H+](C)CCO1)C(=O)[C@@H]1C[C@@H]1C(N)=O ZINC000913506746 656282980 /nfs/dbraw/zinc/28/29/80/656282980.db2.gz HXRWPZYCXOMALA-KXUCPTDWSA-N 1 2 255.318 -1.103 20 0 CAADLO O=C(CN1CCNC(=O)C1)N1CC[NH2+][C@H](c2cn[nH]c2)C1 ZINC000913439118 656283115 /nfs/dbraw/zinc/28/31/15/656283115.db2.gz ZBQZZQJJNDDBJM-NSHDSACASA-N 1 2 292.343 -1.686 20 0 CAADLO CN1CCO[C@H](C(=O)N2CC[NH2+][C@@H](c3cn[nH]c3)C2)C1=O ZINC000913456219 656283141 /nfs/dbraw/zinc/28/31/41/656283141.db2.gz NPDHOHSKQJTTDP-MNOVXSKESA-N 1 2 293.327 -1.260 20 0 CAADLO Cn1cc([C@@H]2CN(C(=O)Cn3cnnn3)CC[NH2+]2)cn1 ZINC000913472896 656283145 /nfs/dbraw/zinc/28/31/45/656283145.db2.gz ZQVIXDJMUSDZTA-JTQLQIEISA-N 1 2 276.304 -1.420 20 0 CAADLO CN(C[C@@H]1C[N@H+](C)CCO1)C(=O)CCNC(=O)CO ZINC000913507615 656283649 /nfs/dbraw/zinc/28/36/49/656283649.db2.gz QVSCWBDYCQIEDB-JTQLQIEISA-N 1 2 273.333 -1.726 20 0 CAADLO CN(C[C@@H]1C[N@@H+](C)CCO1)C(=O)CCNC(=O)CO ZINC000913507615 656283654 /nfs/dbraw/zinc/28/36/54/656283654.db2.gz QVSCWBDYCQIEDB-JTQLQIEISA-N 1 2 273.333 -1.726 20 0 CAADLO C[N@@H+]1CCN(C(=O)[C@]2(O)CCSC2)C[C@@H]1CO ZINC000913546209 656283982 /nfs/dbraw/zinc/28/39/82/656283982.db2.gz KFUSPHYARDIKRW-KOLCDFICSA-N 1 2 260.359 -1.011 20 0 CAADLO C[N@H+]1CCN(C(=O)[C@]2(O)CCSC2)C[C@@H]1CO ZINC000913546209 656283986 /nfs/dbraw/zinc/28/39/86/656283986.db2.gz KFUSPHYARDIKRW-KOLCDFICSA-N 1 2 260.359 -1.011 20 0 CAADLO C[N@@H+]1CCN(C(=O)[C@H]2CCc3nnnn3CC2)C[C@H]1CO ZINC000913541128 656284035 /nfs/dbraw/zinc/28/40/35/656284035.db2.gz FSVIFVLPUMNPLV-QWRGUYRKSA-N 1 2 294.359 -1.240 20 0 CAADLO C[N@H+]1CCN(C(=O)[C@H]2CCc3nnnn3CC2)C[C@H]1CO ZINC000913541128 656284042 /nfs/dbraw/zinc/28/40/42/656284042.db2.gz FSVIFVLPUMNPLV-QWRGUYRKSA-N 1 2 294.359 -1.240 20 0 CAADLO CC(=O)N1CCOC[C@H]1C(=O)N1CC[N@@H+](C)[C@H](CO)C1 ZINC000913547928 656284253 /nfs/dbraw/zinc/28/42/53/656284253.db2.gz ZFLZBGBMYLPYIA-RYUDHWBXSA-N 1 2 285.344 -1.631 20 0 CAADLO CC(=O)N1CCOC[C@H]1C(=O)N1CC[N@H+](C)[C@H](CO)C1 ZINC000913547928 656284256 /nfs/dbraw/zinc/28/42/56/656284256.db2.gz ZFLZBGBMYLPYIA-RYUDHWBXSA-N 1 2 285.344 -1.631 20 0 CAADLO CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N1CC[N@H+](C)[C@H](CO)C1 ZINC000913541530 656284434 /nfs/dbraw/zinc/28/44/34/656284434.db2.gz OUOXUCDAWBSXHC-AXFHLTTASA-N 1 2 269.345 -1.154 20 0 CAADLO CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N1CC[N@@H+](C)[C@H](CO)C1 ZINC000913541530 656284436 /nfs/dbraw/zinc/28/44/36/656284436.db2.gz OUOXUCDAWBSXHC-AXFHLTTASA-N 1 2 269.345 -1.154 20 0 CAADLO C[N@@H+]1CCN(C(=O)C2(NC(N)=O)CC2)C[C@H]1CO ZINC000913546412 656284549 /nfs/dbraw/zinc/28/45/49/656284549.db2.gz OZTALRPDIVBXMV-QMMMGPOBSA-N 1 2 256.306 -1.678 20 0 CAADLO C[N@H+]1CCN(C(=O)C2(NC(N)=O)CC2)C[C@H]1CO ZINC000913546412 656284557 /nfs/dbraw/zinc/28/45/57/656284557.db2.gz OZTALRPDIVBXMV-QMMMGPOBSA-N 1 2 256.306 -1.678 20 0 CAADLO COC(=O)[C@@H]1CC[C@H](C(=O)N2CC[N@H+](C)[C@H](CO)C2)O1 ZINC000913540572 656284669 /nfs/dbraw/zinc/28/46/69/656284669.db2.gz ZJIHBVMULSSHRE-AXFHLTTASA-N 1 2 286.328 -1.158 20 0 CAADLO COC(=O)[C@@H]1CC[C@H](C(=O)N2CC[N@@H+](C)[C@H](CO)C2)O1 ZINC000913540572 656284673 /nfs/dbraw/zinc/28/46/73/656284673.db2.gz ZJIHBVMULSSHRE-AXFHLTTASA-N 1 2 286.328 -1.158 20 0 CAADLO COC(=O)N[C@@H](C)C(=O)N1CC[N@H+](C)[C@@H](CO)C1 ZINC000913547081 656284708 /nfs/dbraw/zinc/28/47/08/656284708.db2.gz FSEOLCLZSOYTOE-DTWKUNHWSA-N 1 2 259.306 -1.134 20 0 CAADLO COC(=O)N[C@@H](C)C(=O)N1CC[N@@H+](C)[C@@H](CO)C1 ZINC000913547081 656284712 /nfs/dbraw/zinc/28/47/12/656284712.db2.gz FSEOLCLZSOYTOE-DTWKUNHWSA-N 1 2 259.306 -1.134 20 0 CAADLO C[N@@H+]1CCN(C(=O)[C@@H]2CCNC(=O)C2)C[C@@H]1CO ZINC000913547546 656284834 /nfs/dbraw/zinc/28/48/34/656284834.db2.gz RBYRZQFYFBNMFC-NXEZZACHSA-N 1 2 255.318 -1.353 20 0 CAADLO C[N@H+]1CCN(C(=O)[C@@H]2CCNC(=O)C2)C[C@@H]1CO ZINC000913547546 656284838 /nfs/dbraw/zinc/28/48/38/656284838.db2.gz RBYRZQFYFBNMFC-NXEZZACHSA-N 1 2 255.318 -1.353 20 0 CAADLO CC(=O)N1CC(OCC(=O)N2CC[N@@H+](C)[C@@H](CO)C2)C1 ZINC000913541577 656284854 /nfs/dbraw/zinc/28/48/54/656284854.db2.gz PWDCDHQOHMHKMU-LLVKDONJSA-N 1 2 285.344 -1.631 20 0 CAADLO CC(=O)N1CC(OCC(=O)N2CC[N@H+](C)[C@@H](CO)C2)C1 ZINC000913541577 656284858 /nfs/dbraw/zinc/28/48/58/656284858.db2.gz PWDCDHQOHMHKMU-LLVKDONJSA-N 1 2 285.344 -1.631 20 0 CAADLO C[N@@H+]1CCN(C(=O)c2cccn3nnnc23)C[C@H]1CO ZINC000913539702 656285050 /nfs/dbraw/zinc/28/50/50/656285050.db2.gz FQHJYHWSDSNBMZ-VIFPVBQESA-N 1 2 276.300 -1.127 20 0 CAADLO C[N@H+]1CCN(C(=O)c2cccn3nnnc23)C[C@H]1CO ZINC000913539702 656285053 /nfs/dbraw/zinc/28/50/53/656285053.db2.gz FQHJYHWSDSNBMZ-VIFPVBQESA-N 1 2 276.300 -1.127 20 0 CAADLO CN1C[C@@H](C(=O)N2CC[N@H+](C)[C@@H](CO)C2)NC1=O ZINC000913541018 656285061 /nfs/dbraw/zinc/28/50/61/656285061.db2.gz DHONPBNZWBBMLA-BDAKNGLRSA-N 1 2 256.306 -1.855 20 0 CAADLO CN1C[C@@H](C(=O)N2CC[N@@H+](C)[C@@H](CO)C2)NC1=O ZINC000913541018 656285066 /nfs/dbraw/zinc/28/50/66/656285066.db2.gz DHONPBNZWBBMLA-BDAKNGLRSA-N 1 2 256.306 -1.855 20 0 CAADLO C[N@@H+]1CCN(C(=O)C2(CO)CCOCC2)C[C@H]1CO ZINC000913541638 656285148 /nfs/dbraw/zinc/28/51/48/656285148.db2.gz QVNCFWYJIDZSBL-NSHDSACASA-N 1 2 272.345 -1.090 20 0 CAADLO C[N@H+]1CCN(C(=O)C2(CO)CCOCC2)C[C@H]1CO ZINC000913541638 656285151 /nfs/dbraw/zinc/28/51/51/656285151.db2.gz QVNCFWYJIDZSBL-NSHDSACASA-N 1 2 272.345 -1.090 20 0 CAADLO CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N1CC[N@@H+](C)[C@@H](CO)C1 ZINC000913545020 656285684 /nfs/dbraw/zinc/28/56/84/656285684.db2.gz SFIUQIRCXVMEHO-GRYCIOLGSA-N 1 2 285.344 -1.897 20 0 CAADLO CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N1CC[N@H+](C)[C@@H](CO)C1 ZINC000913545020 656285685 /nfs/dbraw/zinc/28/56/85/656285685.db2.gz SFIUQIRCXVMEHO-GRYCIOLGSA-N 1 2 285.344 -1.897 20 0 CAADLO CO[C@H]1C[C@H](C(=O)N2CC[N@H+](C)[C@H](CO)C2)N(C(C)=O)C1 ZINC000913544703 656285908 /nfs/dbraw/zinc/28/59/08/656285908.db2.gz KJQOQDYNQJIZGC-RWMBFGLXSA-N 1 2 299.371 -1.243 20 0 CAADLO CO[C@H]1C[C@H](C(=O)N2CC[N@@H+](C)[C@H](CO)C2)N(C(C)=O)C1 ZINC000913544703 656285911 /nfs/dbraw/zinc/28/59/11/656285911.db2.gz KJQOQDYNQJIZGC-RWMBFGLXSA-N 1 2 299.371 -1.243 20 0 CAADLO COCCN1C[C@H](C(=O)N2CC[N@H+](C)[C@@H](CO)C2)CC1=O ZINC000913553029 656286057 /nfs/dbraw/zinc/28/60/57/656286057.db2.gz AAKOHGJUBBIFRY-VXGBXAGGSA-N 1 2 299.371 -1.384 20 0 CAADLO COCCN1C[C@H](C(=O)N2CC[N@@H+](C)[C@@H](CO)C2)CC1=O ZINC000913553029 656286061 /nfs/dbraw/zinc/28/60/61/656286061.db2.gz AAKOHGJUBBIFRY-VXGBXAGGSA-N 1 2 299.371 -1.384 20 0 CAADLO CN1C(=O)CC[C@H]1C(=O)N1CC[N@H+](C)[C@H](CO)C1 ZINC000913545273 656286075 /nfs/dbraw/zinc/28/60/75/656286075.db2.gz ZFHJOACEVUCBER-UWVGGRQHSA-N 1 2 255.318 -1.258 20 0 CAADLO CN1C(=O)CC[C@H]1C(=O)N1CC[N@@H+](C)[C@H](CO)C1 ZINC000913545273 656286081 /nfs/dbraw/zinc/28/60/81/656286081.db2.gz ZFHJOACEVUCBER-UWVGGRQHSA-N 1 2 255.318 -1.258 20 0 CAADLO Cn1cc(C[C@@H](O)C(=O)N2CC[N@H+](C)[C@H](CO)C2)cn1 ZINC000913544643 656286186 /nfs/dbraw/zinc/28/61/86/656286186.db2.gz JHLMYJVPNXVWIS-NWDGAFQWSA-N 1 2 282.344 -1.542 20 0 CAADLO Cn1cc(C[C@@H](O)C(=O)N2CC[N@@H+](C)[C@H](CO)C2)cn1 ZINC000913544643 656286191 /nfs/dbraw/zinc/28/61/91/656286191.db2.gz JHLMYJVPNXVWIS-NWDGAFQWSA-N 1 2 282.344 -1.542 20 0 CAADLO C[N@@H+]1CCN(C(=O)[C@@H]2CCCN2C=O)C[C@@H]1CO ZINC000913543017 656286218 /nfs/dbraw/zinc/28/62/18/656286218.db2.gz XJHDQTCFWHUBDO-MNOVXSKESA-N 1 2 255.318 -1.258 20 0 CAADLO C[N@H+]1CCN(C(=O)[C@@H]2CCCN2C=O)C[C@@H]1CO ZINC000913543017 656286221 /nfs/dbraw/zinc/28/62/21/656286221.db2.gz XJHDQTCFWHUBDO-MNOVXSKESA-N 1 2 255.318 -1.258 20 0 CAADLO CN(C)C(=O)C1(C(=O)N2CC[N@H+](C)[C@@H](CO)C2)CC1 ZINC000913544290 656286244 /nfs/dbraw/zinc/28/62/44/656286244.db2.gz AXYNFAUSSPIUOM-SNVBAGLBSA-N 1 2 269.345 -1.010 20 0 CAADLO CN(C)C(=O)C1(C(=O)N2CC[N@@H+](C)[C@@H](CO)C2)CC1 ZINC000913544290 656286247 /nfs/dbraw/zinc/28/62/47/656286247.db2.gz AXYNFAUSSPIUOM-SNVBAGLBSA-N 1 2 269.345 -1.010 20 0 CAADLO CN1C[C@@H](C(=O)N2CC[N@H+](C)[C@@H](CO)C2)CCC1=O ZINC000913541894 656286281 /nfs/dbraw/zinc/28/62/81/656286281.db2.gz XMVKVTQYXVFBFY-WDEREUQCSA-N 1 2 269.345 -1.010 20 0 CAADLO CN1C[C@@H](C(=O)N2CC[N@@H+](C)[C@@H](CO)C2)CCC1=O ZINC000913541894 656286287 /nfs/dbraw/zinc/28/62/87/656286287.db2.gz XMVKVTQYXVFBFY-WDEREUQCSA-N 1 2 269.345 -1.010 20 0 CAADLO CO[C@H]1C[C@H](C(=O)N2CC[N@H+](C)[C@@H](CO)C2)N(C(C)=O)C1 ZINC000913544702 656286492 /nfs/dbraw/zinc/28/64/92/656286492.db2.gz KJQOQDYNQJIZGC-FRRDWIJNSA-N 1 2 299.371 -1.243 20 0 CAADLO CO[C@H]1C[C@H](C(=O)N2CC[N@@H+](C)[C@@H](CO)C2)N(C(C)=O)C1 ZINC000913544702 656286496 /nfs/dbraw/zinc/28/64/96/656286496.db2.gz KJQOQDYNQJIZGC-FRRDWIJNSA-N 1 2 299.371 -1.243 20 0 CAADLO CN1CC[C@@H](C(=O)N2CC[N@H+](C)[C@H](CO)C2)CC1=O ZINC000913553245 656286599 /nfs/dbraw/zinc/28/65/99/656286599.db2.gz DUXNANDLNWMJOA-MNOVXSKESA-N 1 2 269.345 -1.010 20 0 CAADLO CN1CC[C@@H](C(=O)N2CC[N@@H+](C)[C@H](CO)C2)CC1=O ZINC000913553245 656286603 /nfs/dbraw/zinc/28/66/03/656286603.db2.gz DUXNANDLNWMJOA-MNOVXSKESA-N 1 2 269.345 -1.010 20 0 CAADLO CC(C)C(=O)N[C@@H](CO)C(=O)N1CC[N@H+](C)[C@@H](CO)C1 ZINC000913542941 656286631 /nfs/dbraw/zinc/28/66/31/656286631.db2.gz WDQSTWVDEJWARJ-MNOVXSKESA-N 1 2 287.360 -1.746 20 0 CAADLO CC(C)C(=O)N[C@@H](CO)C(=O)N1CC[N@@H+](C)[C@@H](CO)C1 ZINC000913542941 656286634 /nfs/dbraw/zinc/28/66/34/656286634.db2.gz WDQSTWVDEJWARJ-MNOVXSKESA-N 1 2 287.360 -1.746 20 0 CAADLO C[N@@H+]1CCN(C(=O)Cc2nc3ncccn3n2)C[C@@H]1CO ZINC000913552945 656286980 /nfs/dbraw/zinc/28/69/80/656286980.db2.gz ZWDKDPDPZPGXME-SNVBAGLBSA-N 1 2 290.327 -1.198 20 0 CAADLO C[N@H+]1CCN(C(=O)Cc2nc3ncccn3n2)C[C@@H]1CO ZINC000913552945 656286983 /nfs/dbraw/zinc/28/69/83/656286983.db2.gz ZWDKDPDPZPGXME-SNVBAGLBSA-N 1 2 290.327 -1.198 20 0 CAADLO COC(=O)[C@@H]1C[C@@H]1C(=O)N1CC[N@H+](C)[C@H](CO)C1 ZINC000913550974 656287032 /nfs/dbraw/zinc/28/70/32/656287032.db2.gz GGZRPWJGVUREBC-LPEHRKFASA-N 1 2 256.302 -1.070 20 0 CAADLO COC(=O)[C@@H]1C[C@@H]1C(=O)N1CC[N@@H+](C)[C@H](CO)C1 ZINC000913550974 656287035 /nfs/dbraw/zinc/28/70/35/656287035.db2.gz GGZRPWJGVUREBC-LPEHRKFASA-N 1 2 256.302 -1.070 20 0 CAADLO C[N@@H+]1CCN(C(=O)[C@@H]2CCCN2C(N)=O)C[C@H]1CO ZINC000913550042 656287187 /nfs/dbraw/zinc/28/71/87/656287187.db2.gz LSPFHPSDYNXUNX-UWVGGRQHSA-N 1 2 270.333 -1.336 20 0 CAADLO C[N@H+]1CCN(C(=O)[C@@H]2CCCN2C(N)=O)C[C@H]1CO ZINC000913550042 656287191 /nfs/dbraw/zinc/28/71/91/656287191.db2.gz LSPFHPSDYNXUNX-UWVGGRQHSA-N 1 2 270.333 -1.336 20 0 CAADLO COC(=O)[C@@H]1C[C@@H]1C(=O)N1CC[N@H+](C)[C@@H](CO)C1 ZINC000913550973 656287214 /nfs/dbraw/zinc/28/72/14/656287214.db2.gz GGZRPWJGVUREBC-KXUCPTDWSA-N 1 2 256.302 -1.070 20 0 CAADLO COC(=O)[C@@H]1C[C@@H]1C(=O)N1CC[N@@H+](C)[C@@H](CO)C1 ZINC000913550973 656287217 /nfs/dbraw/zinc/28/72/17/656287217.db2.gz GGZRPWJGVUREBC-KXUCPTDWSA-N 1 2 256.302 -1.070 20 0 CAADLO C[N@@H+]1CCN(C(=O)[C@H](O)C2CCOCC2)C[C@@H]1CO ZINC000913548073 656287276 /nfs/dbraw/zinc/28/72/76/656287276.db2.gz CCWVEOBPVVLCSF-VXGBXAGGSA-N 1 2 272.345 -1.091 20 0 CAADLO C[N@H+]1CCN(C(=O)[C@H](O)C2CCOCC2)C[C@@H]1CO ZINC000913548073 656287281 /nfs/dbraw/zinc/28/72/81/656287281.db2.gz CCWVEOBPVVLCSF-VXGBXAGGSA-N 1 2 272.345 -1.091 20 0 CAADLO Cn1cc(C(N)=O)cc1C(=O)N1CC[N@H+](C)[C@@H](CO)C1 ZINC000913549899 656287298 /nfs/dbraw/zinc/28/72/98/656287298.db2.gz IJWGLYFQPHMIBE-SNVBAGLBSA-N 1 2 280.328 -1.128 20 0 CAADLO Cn1cc(C(N)=O)cc1C(=O)N1CC[N@@H+](C)[C@@H](CO)C1 ZINC000913549899 656287302 /nfs/dbraw/zinc/28/73/02/656287302.db2.gz IJWGLYFQPHMIBE-SNVBAGLBSA-N 1 2 280.328 -1.128 20 0 CAADLO C[N@@H+]1CCN(C(=O)C(C)(C)NS(C)(=O)=O)C[C@@H]1CO ZINC000913549515 656287391 /nfs/dbraw/zinc/28/73/91/656287391.db2.gz BIFCRELXHZSLRI-SECBINFHSA-N 1 2 293.389 -1.551 20 0 CAADLO C[N@H+]1CCN(C(=O)C(C)(C)NS(C)(=O)=O)C[C@@H]1CO ZINC000913549515 656287393 /nfs/dbraw/zinc/28/73/93/656287393.db2.gz BIFCRELXHZSLRI-SECBINFHSA-N 1 2 293.389 -1.551 20 0 CAADLO C[N@@H+]1CCN(C(=O)[C@@H](O)C2CCOCC2)C[C@@H]1CO ZINC000913548070 656287478 /nfs/dbraw/zinc/28/74/78/656287478.db2.gz CCWVEOBPVVLCSF-NEPJUHHUSA-N 1 2 272.345 -1.091 20 0 CAADLO C[N@H+]1CCN(C(=O)[C@@H](O)C2CCOCC2)C[C@@H]1CO ZINC000913548070 656287479 /nfs/dbraw/zinc/28/74/79/656287479.db2.gz CCWVEOBPVVLCSF-NEPJUHHUSA-N 1 2 272.345 -1.091 20 0 CAADLO C[C@H]1[C@@H](NC(=O)C(N)=O)CCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001011832373 656288464 /nfs/dbraw/zinc/28/84/64/656288464.db2.gz GOQFEIFMHLRKOD-WPRPVWTQSA-N 1 2 293.327 -1.067 20 0 CAADLO C[C@H]1[C@@H](NC(=O)C(N)=O)CCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001011832373 656288468 /nfs/dbraw/zinc/28/84/68/656288468.db2.gz GOQFEIFMHLRKOD-WPRPVWTQSA-N 1 2 293.327 -1.067 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001030035060 656288544 /nfs/dbraw/zinc/28/85/44/656288544.db2.gz MRQSSZZXCDNQDH-UTLUCORTSA-N 1 2 282.344 -1.281 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001030035060 656288547 /nfs/dbraw/zinc/28/85/47/656288547.db2.gz MRQSSZZXCDNQDH-UTLUCORTSA-N 1 2 282.344 -1.281 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001030035059 656288840 /nfs/dbraw/zinc/28/88/40/656288840.db2.gz MRQSSZZXCDNQDH-GUBZILKMSA-N 1 2 282.344 -1.281 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001030035059 656288845 /nfs/dbraw/zinc/28/88/45/656288845.db2.gz MRQSSZZXCDNQDH-GUBZILKMSA-N 1 2 282.344 -1.281 20 0 CAADLO C[C@H]1[C@H](NC(=O)C(N)=O)CCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001011832372 656288932 /nfs/dbraw/zinc/28/89/32/656288932.db2.gz GOQFEIFMHLRKOD-WCBMZHEXSA-N 1 2 293.327 -1.067 20 0 CAADLO C[C@H]1[C@H](NC(=O)C(N)=O)CCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001011832372 656288934 /nfs/dbraw/zinc/28/89/34/656288934.db2.gz GOQFEIFMHLRKOD-WCBMZHEXSA-N 1 2 293.327 -1.067 20 0 CAADLO NC(=O)C(=O)N1CC[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H](O)C1 ZINC000991560875 656289870 /nfs/dbraw/zinc/28/98/70/656289870.db2.gz BZOFBQRHCXVQFD-BDAKNGLRSA-N 1 2 295.299 -2.554 20 0 CAADLO COCC(=O)N1CC[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H](O)C1 ZINC000991555363 656289884 /nfs/dbraw/zinc/28/98/84/656289884.db2.gz DAZFMEZHMBDCFR-MNOVXSKESA-N 1 2 296.327 -1.393 20 0 CAADLO NC(=O)C(=O)N1CC[C@H](NC(=O)Cn2cc[nH+]c2)[C@@H](O)C1 ZINC000991560877 656290189 /nfs/dbraw/zinc/29/01/89/656290189.db2.gz BZOFBQRHCXVQFD-IUCAKERBSA-N 1 2 295.299 -2.554 20 0 CAADLO O=C(NC1C[NH+](CCCO)C1)c1ccc(=O)[nH]n1 ZINC001030080677 656290558 /nfs/dbraw/zinc/29/05/58/656290558.db2.gz UWAZXKQROXXXPR-UHFFFAOYSA-N 1 2 252.274 -1.021 20 0 CAADLO CO[C@H](C)C[NH+]1CC(NC(=O)Cn2cnnn2)C1 ZINC001030090055 656291511 /nfs/dbraw/zinc/29/15/11/656291511.db2.gz IOLZCXWYEQJNLV-MRVPVSSYSA-N 1 2 254.294 -1.492 20 0 CAADLO C[C@H](O)C[NH+]1CC(NC(=O)CN2CCCC2=O)C1 ZINC001030091300 656291523 /nfs/dbraw/zinc/29/15/23/656291523.db2.gz GYQNBDOOCDXOOP-VIFPVBQESA-N 1 2 255.318 -1.210 20 0 CAADLO CO[C@@H](C)C[NH+]1CC(NC(=O)Cn2cnnn2)C1 ZINC001030090056 656291694 /nfs/dbraw/zinc/29/16/94/656291694.db2.gz IOLZCXWYEQJNLV-QMMMGPOBSA-N 1 2 254.294 -1.492 20 0 CAADLO CC(=O)N1CC[C@@H](NC(=O)Cn2cc[nH+]c2)[C@H](O)C1 ZINC000991573275 656292202 /nfs/dbraw/zinc/29/22/02/656292202.db2.gz OLIGYHMXMQVXKM-GHMZBOCLSA-N 1 2 266.301 -1.019 20 0 CAADLO COC(=O)[C@H]1C[C@@H]1C(=O)NC1C[NH+](CCCO)C1 ZINC001030150739 656294007 /nfs/dbraw/zinc/29/40/07/656294007.db2.gz CYANMTYWSOHEIV-UWVGGRQHSA-N 1 2 256.302 -1.022 20 0 CAADLO C[N@@H+]1CCC[C@H]1C(=O)NC1CN(CCS(C)(=O)=O)C1 ZINC001030155219 656294184 /nfs/dbraw/zinc/29/41/84/656294184.db2.gz MJUSHBHRSKZJJZ-NSHDSACASA-N 1 2 289.401 -1.074 20 0 CAADLO C[N@H+]1CCC[C@H]1C(=O)NC1CN(CCS(C)(=O)=O)C1 ZINC001030155219 656294187 /nfs/dbraw/zinc/29/41/87/656294187.db2.gz MJUSHBHRSKZJJZ-NSHDSACASA-N 1 2 289.401 -1.074 20 0 CAADLO C[N@@H+]1CCC[C@@H]1C(=O)NC1CN(CCS(C)(=O)=O)C1 ZINC001030155217 656294447 /nfs/dbraw/zinc/29/44/47/656294447.db2.gz MJUSHBHRSKZJJZ-LLVKDONJSA-N 1 2 289.401 -1.074 20 0 CAADLO C[N@H+]1CCC[C@@H]1C(=O)NC1CN(CCS(C)(=O)=O)C1 ZINC001030155217 656294453 /nfs/dbraw/zinc/29/44/53/656294453.db2.gz MJUSHBHRSKZJJZ-LLVKDONJSA-N 1 2 289.401 -1.074 20 0 CAADLO C[N@@H+]1CCC[C@H]1C(=O)NC1CN(Cc2n[nH]c(=O)[nH]2)C1 ZINC001030162697 656294816 /nfs/dbraw/zinc/29/48/16/656294816.db2.gz YKHXIAUZNFWXKH-VIFPVBQESA-N 1 2 280.332 -1.095 20 0 CAADLO C[N@H+]1CCC[C@H]1C(=O)NC1CN(Cc2n[nH]c(=O)[nH]2)C1 ZINC001030162697 656294821 /nfs/dbraw/zinc/29/48/21/656294821.db2.gz YKHXIAUZNFWXKH-VIFPVBQESA-N 1 2 280.332 -1.095 20 0 CAADLO C[N@@H+]1CCC[C@@H]1C(=O)NC1CN(Cc2n[nH]c(=O)[nH]2)C1 ZINC001030162690 656294884 /nfs/dbraw/zinc/29/48/84/656294884.db2.gz YKHXIAUZNFWXKH-SECBINFHSA-N 1 2 280.332 -1.095 20 0 CAADLO C[N@H+]1CCC[C@@H]1C(=O)NC1CN(Cc2n[nH]c(=O)[nH]2)C1 ZINC001030162690 656294889 /nfs/dbraw/zinc/29/48/89/656294889.db2.gz YKHXIAUZNFWXKH-SECBINFHSA-N 1 2 280.332 -1.095 20 0 CAADLO C[C@H](O)C[NH+]1CC(NC(=O)c2nccnc2N)C1 ZINC001030168997 656295647 /nfs/dbraw/zinc/29/56/47/656295647.db2.gz GQPLJNGYUOQYSG-ZETCQYMHSA-N 1 2 251.290 -1.146 20 0 CAADLO C[N@@H+]1CCO[C@@H](C(=O)NC2CN(CCCO)C2)C1 ZINC001030180348 656296305 /nfs/dbraw/zinc/29/63/05/656296305.db2.gz PLWYYVFRANYQHM-LLVKDONJSA-N 1 2 257.334 -1.500 20 0 CAADLO C[N@H+]1CCO[C@@H](C(=O)NC2CN(CCCO)C2)C1 ZINC001030180348 656296309 /nfs/dbraw/zinc/29/63/09/656296309.db2.gz PLWYYVFRANYQHM-LLVKDONJSA-N 1 2 257.334 -1.500 20 0 CAADLO C[C@H](O)C[NH+]1CC(NC(=O)[C@H]2CCNC(=O)C2)C1 ZINC001030214407 656297247 /nfs/dbraw/zinc/29/72/47/656297247.db2.gz JOWDORDUCWCXAQ-IUCAKERBSA-N 1 2 255.318 -1.306 20 0 CAADLO O=C(NC1C[NH+](CCCO)C1)[C@@H]1CCNC(=O)C1 ZINC001030207514 656297344 /nfs/dbraw/zinc/29/73/44/656297344.db2.gz CYGDTVXZMKFZRB-SECBINFHSA-N 1 2 255.318 -1.305 20 0 CAADLO C[C@@H](O)C[NH+]1CC(NC(=O)[C@@H]2CCNC(=O)C2)C1 ZINC001030214409 656297392 /nfs/dbraw/zinc/29/73/92/656297392.db2.gz JOWDORDUCWCXAQ-RKDXNWHRSA-N 1 2 255.318 -1.306 20 0 CAADLO C[C@H](O)C[NH+]1CC(NC(=O)[C@@H]2CCNC(=O)C2)C1 ZINC001030214406 656297605 /nfs/dbraw/zinc/29/76/05/656297605.db2.gz JOWDORDUCWCXAQ-DTWKUNHWSA-N 1 2 255.318 -1.306 20 0 CAADLO C[C@H](O)C[NH+]1CC(NC(=O)[C@@H]2COCCN2C)C1 ZINC001030234900 656298594 /nfs/dbraw/zinc/29/85/94/656298594.db2.gz GCJBXLXUQYCHTG-ONGXEEELSA-N 1 2 257.334 -1.502 20 0 CAADLO COCC[NH+]1CC(NC(=O)CN2CCOCC2)C1 ZINC001030229838 656298690 /nfs/dbraw/zinc/29/86/90/656298690.db2.gz WGFPIFYMPUQMNY-UHFFFAOYSA-N 1 2 257.334 -1.235 20 0 CAADLO COCC[NH+]1CC(NC(=O)CN2CN=NC2=O)C1 ZINC001030234794 656298803 /nfs/dbraw/zinc/29/88/03/656298803.db2.gz HCMNHJCTBUWOLR-UHFFFAOYSA-N 1 2 255.278 -1.570 20 0 CAADLO C[C@@H](O)C[NH+]1CC(NC(=O)CN2CCOCC2)C1 ZINC001030228743 656298828 /nfs/dbraw/zinc/29/88/28/656298828.db2.gz HGQCTKUAASKDIY-SNVBAGLBSA-N 1 2 257.334 -1.500 20 0 CAADLO Cn1c[nH+]cc1CN1CC(NC(=O)CN2CN=NC2=O)C1 ZINC001030238158 656299688 /nfs/dbraw/zinc/29/96/88/656299688.db2.gz ZBPFJCUZDWTOFX-UHFFFAOYSA-N 1 2 291.315 -1.282 20 0 CAADLO CC(=O)N1CC(C(=O)NC2C[NH+](C[C@@H](C)O)C2)C1 ZINC001030254751 656300237 /nfs/dbraw/zinc/30/02/37/656300237.db2.gz OQWXUHMJUFGGRI-MRVPVSSYSA-N 1 2 255.318 -1.354 20 0 CAADLO CC(=O)N1CC(C(=O)NC2C[NH+](CCCO)C2)C1 ZINC001030254686 656300434 /nfs/dbraw/zinc/30/04/34/656300434.db2.gz NKSUKCJOBUONIS-UHFFFAOYSA-N 1 2 255.318 -1.353 20 0 CAADLO CO[C@@H](C)C[NH+]1CC(NC(=O)[C@@H]2COC(=O)N2)C1 ZINC001030266961 656300680 /nfs/dbraw/zinc/30/06/80/656300680.db2.gz DPFVWSMJJMVUAL-CBAPKCEASA-N 1 2 257.290 -1.070 20 0 CAADLO COC[C@@H](C)[NH+]1CC(NC(=O)[C@H]2COC(=O)N2)C1 ZINC001030266998 656300720 /nfs/dbraw/zinc/30/07/20/656300720.db2.gz FLDLHJMRQYYVAI-VXNVDRBHSA-N 1 2 257.290 -1.070 20 0 CAADLO CO[C@@H](C)C[NH+]1CC(NC(=O)[C@H]2COC(=O)N2)C1 ZINC001030266962 656300753 /nfs/dbraw/zinc/30/07/53/656300753.db2.gz DPFVWSMJJMVUAL-IONNQARKSA-N 1 2 257.290 -1.070 20 0 CAADLO Cn1nccc1CC[NH+]1CC(NC(=O)[C@@H]2COC(=O)N2)C1 ZINC001030266858 656300845 /nfs/dbraw/zinc/30/08/45/656300845.db2.gz BZZPMFGYEMTKIE-NSHDSACASA-N 1 2 293.327 -1.129 20 0 CAADLO Cn1cc(CC[NH+]2CC(NC(=O)[C@@H]3COC(=O)N3)C2)cn1 ZINC001030267823 656301174 /nfs/dbraw/zinc/30/11/74/656301174.db2.gz QYWHOMWJERXWEH-NSHDSACASA-N 1 2 293.327 -1.129 20 0 CAADLO COCCn1cc(C(=O)NC2C[NH+](C[C@H](C)O)C2)nn1 ZINC001030298790 656303139 /nfs/dbraw/zinc/30/31/39/656303139.db2.gz AUOCMLPRMQEPGA-VIFPVBQESA-N 1 2 283.332 -1.281 20 0 CAADLO Cn1c[nH+]cc1CN1CC(NC(=O)Cn2ncnn2)C1 ZINC001030316092 656303962 /nfs/dbraw/zinc/30/39/62/656303962.db2.gz WNIFXRUCKHLFQI-UHFFFAOYSA-N 1 2 276.304 -1.593 20 0 CAADLO O=C(Cn1ncnn1)NC1C[NH+](CCn2cccn2)C1 ZINC001030319813 656303996 /nfs/dbraw/zinc/30/39/96/656303996.db2.gz WBCCSENSDLWRQV-UHFFFAOYSA-N 1 2 276.304 -1.630 20 0 CAADLO CO[C@@H](C)C[NH+]1CC(NC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001030339836 656304306 /nfs/dbraw/zinc/30/43/06/656304306.db2.gz KHMHLTJEHFGLLZ-QMMMGPOBSA-N 1 2 296.331 -1.788 20 0 CAADLO NC(=O)c1ncn(CC(=O)NC2C[NH+](CCCO)C2)n1 ZINC001030339314 656304346 /nfs/dbraw/zinc/30/43/46/656304346.db2.gz NZLXNXHXOHKJAA-UHFFFAOYSA-N 1 2 282.304 -2.440 20 0 CAADLO C[C@H](O)C[NH+]1CC(NC(=O)CN2C(=O)CC(C)(C)C2=O)C1 ZINC001030318722 656304430 /nfs/dbraw/zinc/30/44/30/656304430.db2.gz PLONCPOBNIHOMT-VIFPVBQESA-N 1 2 297.355 -1.047 20 0 CAADLO CO[C@H](C)C[NH+]1CC(NC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001030339835 656304448 /nfs/dbraw/zinc/30/44/48/656304448.db2.gz KHMHLTJEHFGLLZ-MRVPVSSYSA-N 1 2 296.331 -1.788 20 0 CAADLO C[C@@H](O)C[NH+]1CC(NC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001030340509 656304978 /nfs/dbraw/zinc/30/49/78/656304978.db2.gz ZPOGXOZFTYWKFQ-SSDOTTSWSA-N 1 2 282.304 -2.442 20 0 CAADLO C[C@H](O)C[NH+]1CC(NC(=O)c2cccn3nnnc23)C1 ZINC001030371049 656305566 /nfs/dbraw/zinc/30/55/66/656305566.db2.gz ILHMNLFSBRQKHN-QMMMGPOBSA-N 1 2 276.300 -1.081 20 0 CAADLO O=C(Cn1nccn1)NC1C[NH+](CCn2cccn2)C1 ZINC001030373859 656305573 /nfs/dbraw/zinc/30/55/73/656305573.db2.gz IOMVXOBNLHGNEX-UHFFFAOYSA-N 1 2 275.316 -1.025 20 0 CAADLO COCCN1C[C@@H](C(=O)NC2C[NH+](C[C@H](C)O)C2)CC1=O ZINC001030394225 656306652 /nfs/dbraw/zinc/30/66/52/656306652.db2.gz XFNPBENSKFLEHR-QWRGUYRKSA-N 1 2 299.371 -1.338 20 0 CAADLO COCCN1C[C@H](C(=O)NC2C[NH+](CCCO)C2)CC1=O ZINC001030394305 656306885 /nfs/dbraw/zinc/30/68/85/656306885.db2.gz YWWMTLGTUWHOAA-LLVKDONJSA-N 1 2 299.371 -1.336 20 0 CAADLO C[C@@H](C(=O)NC1C[NH+](CCCO)C1)N1C(=O)CCC1=O ZINC001030397874 656307162 /nfs/dbraw/zinc/30/71/62/656307162.db2.gz QDALBLDYTCRPQW-VIFPVBQESA-N 1 2 283.328 -1.293 20 0 CAADLO C[C@@H](O)C[NH+]1CC(NC(=O)[C@H](C)N2C(=O)CCC2=O)C1 ZINC001030397309 656307286 /nfs/dbraw/zinc/30/72/86/656307286.db2.gz XZRBEUICBYBLGT-BDAKNGLRSA-N 1 2 283.328 -1.295 20 0 CAADLO NC(=O)C(=O)N1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)[C@H](O)C1 ZINC000991716029 656307293 /nfs/dbraw/zinc/30/72/93/656307293.db2.gz CMXBAHTYNHHRLU-HTQZYQBOSA-N 1 2 295.299 -2.485 20 0 CAADLO NC(=O)C(=O)N1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)[C@H](O)C1 ZINC000991716031 656307463 /nfs/dbraw/zinc/30/74/63/656307463.db2.gz CMXBAHTYNHHRLU-JGVFFNPUSA-N 1 2 295.299 -2.485 20 0 CAADLO C[C@@H](C(=O)NC1C[NH+](CCO)C1)N1C(=O)CCC1=O ZINC001030397885 656307473 /nfs/dbraw/zinc/30/74/73/656307473.db2.gz QMOOBTPHFNOBJH-QMMMGPOBSA-N 1 2 269.301 -1.683 20 0 CAADLO COCC(=O)N1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)[C@H](O)C1 ZINC000991717407 656308036 /nfs/dbraw/zinc/30/80/36/656308036.db2.gz BZPVITSYUIVJKG-VHSXEESVSA-N 1 2 296.327 -1.323 20 0 CAADLO O=C(CN1CCCS1(=O)=O)NC1C[NH+](CCCO)C1 ZINC001030403368 656308755 /nfs/dbraw/zinc/30/87/55/656308755.db2.gz MMFSXKDWGFHQKG-UHFFFAOYSA-N 1 2 291.373 -1.795 20 0 CAADLO O=C(C[NH+]1CCCC1)NC1CN(C(=O)Cc2ncn[nH]2)C1 ZINC000991740636 656310988 /nfs/dbraw/zinc/31/09/88/656310988.db2.gz YSBZPNKRMFXPNA-UHFFFAOYSA-N 1 2 292.343 -1.230 20 0 CAADLO O=C(C[C@H]1CCC(=O)NC1)NC1C[NH+](CCO)C1 ZINC001030431302 656311771 /nfs/dbraw/zinc/31/17/71/656311771.db2.gz OZZRJFWZFHQRNP-SECBINFHSA-N 1 2 255.318 -1.305 20 0 CAADLO NC(=O)C(=O)N[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C[C@H]1O ZINC000991748629 656311814 /nfs/dbraw/zinc/31/18/14/656311814.db2.gz SKRHKWIAKVTLOC-RKDXNWHRSA-N 1 2 295.299 -2.554 20 0 CAADLO C[C@@H](O)C[NH+]1CC(NC(=O)C[C@@H]2CCNC2=O)C1 ZINC001030434330 656312073 /nfs/dbraw/zinc/31/20/73/656312073.db2.gz VRXUNTHCNJTWGY-BDAKNGLRSA-N 1 2 255.318 -1.306 20 0 CAADLO C[C@@H](O)C[NH+]1CC(NC(=O)C[C@H]2CCNC2=O)C1 ZINC001030434336 656312255 /nfs/dbraw/zinc/31/22/55/656312255.db2.gz VRXUNTHCNJTWGY-RKDXNWHRSA-N 1 2 255.318 -1.306 20 0 CAADLO O=C(C[C@H]1CCNC1=O)NC1C[NH+](CCCO)C1 ZINC001030434733 656312366 /nfs/dbraw/zinc/31/23/66/656312366.db2.gz BGHMUILDLFWFQA-SECBINFHSA-N 1 2 255.318 -1.305 20 0 CAADLO O=C(CN1CCOCC1=O)NC1C[NH+](CCO)C1 ZINC001030449774 656312776 /nfs/dbraw/zinc/31/27/76/656312776.db2.gz SQDDMKKMUKMDPL-UHFFFAOYSA-N 1 2 257.290 -2.362 20 0 CAADLO C[C@@H](O)C[NH+]1CC(NC(=O)CN2CCOCC2=O)C1 ZINC001030449416 656312851 /nfs/dbraw/zinc/31/28/51/656312851.db2.gz GEHPWEYJICIDQO-SECBINFHSA-N 1 2 271.317 -1.974 20 0 CAADLO COC[C@@H](C)[NH+]1CC(NC(=O)CN2CCOCC2=O)C1 ZINC001030449565 656312955 /nfs/dbraw/zinc/31/29/55/656312955.db2.gz LSBSKKLYXOVHJW-SNVBAGLBSA-N 1 2 285.344 -1.320 20 0 CAADLO C[C@@H](O)C[NH+]1CC(NC(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001030461113 656312993 /nfs/dbraw/zinc/31/29/93/656312993.db2.gz DVOOHXGNTHZJBN-SVRRBLITSA-N 1 2 270.289 -2.234 20 0 CAADLO Cn1cnc(C(=O)NC2C[NH+](CCO)C2)cc1=O ZINC001030465904 656313474 /nfs/dbraw/zinc/31/34/74/656313474.db2.gz MTPKQIQXBNTEOE-UHFFFAOYSA-N 1 2 252.274 -1.813 20 0 CAADLO C[C@@H](O)C[NH+]1CC(NC(=O)[C@@H]2CCCNC2=O)C1 ZINC001030478617 656313919 /nfs/dbraw/zinc/31/39/19/656313919.db2.gz OAVQJHRMRSIVIT-PSASIEDQSA-N 1 2 255.318 -1.306 20 0 CAADLO O=C(NC1C[NH+](CCCO)C1)[C@@H]1CCCNC1=O ZINC001030479293 656314090 /nfs/dbraw/zinc/31/40/90/656314090.db2.gz GWQICNIWUCPBNX-SNVBAGLBSA-N 1 2 255.318 -1.305 20 0 CAADLO COCC[NH+]1CC(NC(=O)[C@H]2CCCNC2=O)C1 ZINC001030478177 656314145 /nfs/dbraw/zinc/31/41/45/656314145.db2.gz AXXBLQOYOURPEX-JTQLQIEISA-N 1 2 255.318 -1.041 20 0 CAADLO COCC(=O)N1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)[C@H](O)C1 ZINC000991801177 656314649 /nfs/dbraw/zinc/31/46/49/656314649.db2.gz BJJATHIVXNXWJT-GHMZBOCLSA-N 1 2 296.327 -1.323 20 0 CAADLO CN1CC[C@H](CC(=O)NC2C[NH+](CCO)C2)C1=O ZINC001030492902 656314707 /nfs/dbraw/zinc/31/47/07/656314707.db2.gz FQRUAVQXLVBCSS-SECBINFHSA-N 1 2 255.318 -1.353 20 0 CAADLO NC(=O)c1ccc(CC(=O)NC2C[NH+](CCCO)C2)cn1 ZINC001030527368 656315507 /nfs/dbraw/zinc/31/55/07/656315507.db2.gz PRLBPHXPROMFNR-UHFFFAOYSA-N 1 2 292.339 -1.094 20 0 CAADLO C[C@H](O)C[NH+]1CC(NC(=O)[C@H]2CCC3N=NC(=O)N3C2)C1 ZINC001030545889 656316087 /nfs/dbraw/zinc/31/60/87/656316087.db2.gz ARPFPOFPXZMOIT-IUCAKERBSA-N 1 2 295.343 -1.273 20 0 CAADLO O=C(NC1C[NH+](CCCO)C1)[C@H]1CCC2N=NC(=O)N2C1 ZINC001030546332 656316156 /nfs/dbraw/zinc/31/61/56/656316156.db2.gz HTKOGKNEMYFDSB-VIFPVBQESA-N 1 2 295.343 -1.271 20 0 CAADLO C[C@@H](O)C[NH+]1CC(NC(=O)[C@H]2CCC3N=NC(=O)N3C2)C1 ZINC001030545887 656316201 /nfs/dbraw/zinc/31/62/01/656316201.db2.gz ARPFPOFPXZMOIT-BDAKNGLRSA-N 1 2 295.343 -1.273 20 0 CAADLO CN1CC[C@@H](C(=O)NC2C[NH+](CCO)C2)CC1=O ZINC001030541397 656316233 /nfs/dbraw/zinc/31/62/33/656316233.db2.gz MXVBXOHBEZOGID-SECBINFHSA-N 1 2 255.318 -1.353 20 0 CAADLO NC(=O)CN1CC(NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001030544826 656316265 /nfs/dbraw/zinc/31/62/65/656316265.db2.gz ZBDXXSWDNBRJOT-SECBINFHSA-N 1 2 277.328 -1.269 20 0 CAADLO CN1CC[C@H](C(=O)NC2C[NH+](CCO)C2)CC1=O ZINC001030541398 656316371 /nfs/dbraw/zinc/31/63/71/656316371.db2.gz MXVBXOHBEZOGID-VIFPVBQESA-N 1 2 255.318 -1.353 20 0 CAADLO C[C@@H](O)C[NH+]1CC(NC(=O)CN2CCN(C)C(=O)C2)C1 ZINC001030555421 656316769 /nfs/dbraw/zinc/31/67/69/656316769.db2.gz MDHSZPQSGXUPQC-SNVBAGLBSA-N 1 2 284.360 -2.058 20 0 CAADLO CNC(=O)CN1CC(NC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001030551508 656316958 /nfs/dbraw/zinc/31/69/58/656316958.db2.gz VEGWTNAZMOYWIZ-SNVBAGLBSA-N 1 2 291.355 -1.008 20 0 CAADLO NC(=O)CN1CC(NC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001030554994 656317006 /nfs/dbraw/zinc/31/70/06/656317006.db2.gz RFMCWCKHWLPLFQ-VIFPVBQESA-N 1 2 277.328 -1.269 20 0 CAADLO NC(=O)CN1CC(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001030555724 656317018 /nfs/dbraw/zinc/31/70/18/656317018.db2.gz YQYKXFTWVLYIDP-SECBINFHSA-N 1 2 277.328 -1.269 20 0 CAADLO COC[C@H](C)[NH+]1CC(NC(=O)CN2CCN(C)C(=O)C2)C1 ZINC001030556836 656317092 /nfs/dbraw/zinc/31/70/92/656317092.db2.gz GAPJOOINAQBIMV-NSHDSACASA-N 1 2 298.387 -1.404 20 0 CAADLO NC(=O)CN1CC(NC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001030552691 656317117 /nfs/dbraw/zinc/31/71/17/656317117.db2.gz NGJLFRQBVYNJQR-SECBINFHSA-N 1 2 277.328 -1.269 20 0 CAADLO Cn1cnn(CC(=O)NC2C[NH+](CCO)C2)c1=O ZINC001030574763 656317335 /nfs/dbraw/zinc/31/73/35/656317335.db2.gz FYJVZSQBNFELSW-UHFFFAOYSA-N 1 2 255.278 -2.626 20 0 CAADLO C[C@@H]1C[C@H](C(=O)NC2C[NH+](CCO)C2)CC(=O)N1 ZINC001030589205 656317516 /nfs/dbraw/zinc/31/75/16/656317516.db2.gz BICNRKPNELIZSS-BDAKNGLRSA-N 1 2 255.318 -1.306 20 0 CAADLO C[C@@H](O)C[NH+]1CC(NC(=O)[C@H]2CCC(=O)NC2)C1 ZINC001030590064 656317539 /nfs/dbraw/zinc/31/75/39/656317539.db2.gz JQMXPBWXNXCJJA-BDAKNGLRSA-N 1 2 255.318 -1.306 20 0 CAADLO O=C(NC1C[NH+](CCCO)C1)[C@H]1CCC(=O)NC1 ZINC001030592402 656317820 /nfs/dbraw/zinc/31/78/20/656317820.db2.gz ZOSJGFVEIQRJAS-VIFPVBQESA-N 1 2 255.318 -1.305 20 0 CAADLO O=C(NC1C[NH+](CCCO)C1)[C@@H]1CCC(=O)NC1 ZINC001030592401 656317990 /nfs/dbraw/zinc/31/79/90/656317990.db2.gz ZOSJGFVEIQRJAS-SECBINFHSA-N 1 2 255.318 -1.305 20 0 CAADLO COCC[NH+]1CC(NC(=O)[C@@H]2CCC(=O)NC2)C1 ZINC001030591050 656318178 /nfs/dbraw/zinc/31/81/78/656318178.db2.gz WCVLQNZNQVMUEQ-SECBINFHSA-N 1 2 255.318 -1.041 20 0 CAADLO C[C@H](O)C[NH+]1CC(NC(=O)[C@H]2CCC(=O)NC2)C1 ZINC001030590066 656318233 /nfs/dbraw/zinc/31/82/33/656318233.db2.gz JQMXPBWXNXCJJA-IUCAKERBSA-N 1 2 255.318 -1.306 20 0 CAADLO COCC[NH+]1CC(NC(=O)CN2CCCNC2=O)C1 ZINC001030605882 656319790 /nfs/dbraw/zinc/31/97/90/656319790.db2.gz MRRVOCPJUAWZEZ-UHFFFAOYSA-N 1 2 270.333 -1.152 20 0 CAADLO O=C(CN1CCCNC1=O)NC1C[NH+](CCCO)C1 ZINC001030606320 656319972 /nfs/dbraw/zinc/31/99/72/656319972.db2.gz YPLQPNLQOISDSF-UHFFFAOYSA-N 1 2 270.333 -1.416 20 0 CAADLO Cn1cc(C(N)=O)cc1C(=O)NC1C[NH+](CCCO)C1 ZINC001030619842 656320381 /nfs/dbraw/zinc/32/03/81/656320381.db2.gz MRDQVMSTXDUSJQ-UHFFFAOYSA-N 1 2 280.328 -1.080 20 0 CAADLO C[N@@H+]1CCN(C(=O)[C@@H]2CC[C@H](C(N)=O)O2)C[C@H]1CO ZINC000913555424 656321099 /nfs/dbraw/zinc/32/10/99/656321099.db2.gz DAUAWTIYRXWXHM-AEJSXWLSSA-N 1 2 271.317 -1.846 20 0 CAADLO C[N@H+]1CCN(C(=O)[C@@H]2CC[C@H](C(N)=O)O2)C[C@H]1CO ZINC000913555424 656321103 /nfs/dbraw/zinc/32/11/03/656321103.db2.gz DAUAWTIYRXWXHM-AEJSXWLSSA-N 1 2 271.317 -1.846 20 0 CAADLO CC(C)[C@H](NC=O)C(=O)N1CC[N@H+](C)[C@@H](CO)C1 ZINC000913556298 656321276 /nfs/dbraw/zinc/32/12/76/656321276.db2.gz WLPXWIFIPSGIRZ-MNOVXSKESA-N 1 2 257.334 -1.108 20 0 CAADLO CC(C)[C@H](NC=O)C(=O)N1CC[N@@H+](C)[C@@H](CO)C1 ZINC000913556298 656321286 /nfs/dbraw/zinc/32/12/86/656321286.db2.gz WLPXWIFIPSGIRZ-MNOVXSKESA-N 1 2 257.334 -1.108 20 0 CAADLO O=C(NC1C[NH+](CCO)C1)c1ccnc2n[nH]nc21 ZINC001030658222 656322344 /nfs/dbraw/zinc/32/23/44/656322344.db2.gz GFXGKXZDKKXFQF-UHFFFAOYSA-N 1 2 262.273 -1.241 20 0 CAADLO O=C(CN1CCCCS1(=O)=O)NC1C[NH+](CCO)C1 ZINC001030685014 656323123 /nfs/dbraw/zinc/32/31/23/656323123.db2.gz DCZVGUWTWIIKPM-UHFFFAOYSA-N 1 2 291.373 -1.795 20 0 CAADLO C[N@@H+]1CCN(C(=O)[C@]2(C)CCC(=O)N2)C[C@H]1CO ZINC000913558509 656323438 /nfs/dbraw/zinc/32/34/38/656323438.db2.gz PZCAWDBQFIZZLR-CABZTGNLSA-N 1 2 255.318 -1.210 20 0 CAADLO C[N@H+]1CCN(C(=O)[C@]2(C)CCC(=O)N2)C[C@H]1CO ZINC000913558509 656323444 /nfs/dbraw/zinc/32/34/44/656323444.db2.gz PZCAWDBQFIZZLR-CABZTGNLSA-N 1 2 255.318 -1.210 20 0 CAADLO O=C(Cn1nccn1)NC1CN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000991949582 656323467 /nfs/dbraw/zinc/32/34/67/656323467.db2.gz QNSVGEKUJGOGNF-UHFFFAOYSA-N 1 2 289.299 -1.429 20 0 CAADLO C[C@H](O)C[NH+]1CC(NC(=O)c2cn(C)c(=O)cn2)C1 ZINC001030705075 656323965 /nfs/dbraw/zinc/32/39/65/656323965.db2.gz ZFMIAAXJVCGKJR-QMMMGPOBSA-N 1 2 266.301 -1.425 20 0 CAADLO C[C@@H](O)C[NH+]1CC(NC(=O)[C@@H]2Cc3cncn3C(=O)N2)C1 ZINC001030725155 656324631 /nfs/dbraw/zinc/32/46/31/656324631.db2.gz OKPWNDYAXDMKQB-KCJUWKMLSA-N 1 2 293.327 -1.453 20 0 CAADLO CCn1cc(CC(=O)NC2C[NH+](CCO)C2)nn1 ZINC001030718021 656324713 /nfs/dbraw/zinc/32/47/13/656324713.db2.gz JBZWLMQTSVSRBB-UHFFFAOYSA-N 1 2 253.306 -1.367 20 0 CAADLO C[C@H](O)C[NH+]1CC(NC(=O)[C@@H]2Cc3cncn3C(=O)N2)C1 ZINC001030725156 656324783 /nfs/dbraw/zinc/32/47/83/656324783.db2.gz OKPWNDYAXDMKQB-KWQFWETISA-N 1 2 293.327 -1.453 20 0 CAADLO C[C@@H](O)C[NH+]1CC(NC(=O)[C@@]2(C)CNC(=O)C2)C1 ZINC001030729238 656325424 /nfs/dbraw/zinc/32/54/24/656325424.db2.gz QBTIWLAJIJGHIG-PRHODGIISA-N 1 2 255.318 -1.306 20 0 CAADLO C[C@H](O)C[NH+]1CC(NC(=O)CN2CCNC(=O)C2)C1 ZINC001030785659 656327239 /nfs/dbraw/zinc/32/72/39/656327239.db2.gz FIRUZXCUTXQHES-VIFPVBQESA-N 1 2 270.333 -2.401 20 0 CAADLO C[C@@H](O)C[NH+]1CC(NC(=O)CN2CCNC(=O)C2)C1 ZINC001030785658 656327613 /nfs/dbraw/zinc/32/76/13/656327613.db2.gz FIRUZXCUTXQHES-SECBINFHSA-N 1 2 270.333 -2.401 20 0 CAADLO CCN1CCOC[C@H]1C(=O)N[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001015025179 656327638 /nfs/dbraw/zinc/32/76/38/656327638.db2.gz QKFBBUJNDXGPQR-MNOVXSKESA-N 1 2 284.360 -1.617 20 0 CAADLO CCN1CCOC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001015025179 656327642 /nfs/dbraw/zinc/32/76/42/656327642.db2.gz QKFBBUJNDXGPQR-MNOVXSKESA-N 1 2 284.360 -1.617 20 0 CAADLO CN1C(=O)CC[C@@H]1CC(=O)NC1C[NH+](CCO)C1 ZINC001030782271 656327777 /nfs/dbraw/zinc/32/77/77/656327777.db2.gz VCFCVGRQIQTZEP-SNVBAGLBSA-N 1 2 255.318 -1.210 20 0 CAADLO O=C(CN1CCNC(=O)C1)NC1C[NH+](CCCO)C1 ZINC001030786875 656328381 /nfs/dbraw/zinc/32/83/81/656328381.db2.gz HHMXPERLQGCOAK-UHFFFAOYSA-N 1 2 270.333 -2.399 20 0 CAADLO COC[C@H](C)[NH+]1CC(NC(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC001030790322 656328597 /nfs/dbraw/zinc/32/85/97/656328597.db2.gz CXXWRWAUBJLMQB-WPRPVWTQSA-N 1 2 270.333 -1.155 20 0 CAADLO Cn1cc(CC[NH+]2CC(NC(=O)[C@@H]3CCNC3=O)C2)cn1 ZINC001030790958 656328685 /nfs/dbraw/zinc/32/86/85/656328685.db2.gz NINGMWSAIJSNNT-GFCCVEGCSA-N 1 2 291.355 -1.101 20 0 CAADLO COC[C@H](C)[NH+]1CC(NC(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC001030790321 656328746 /nfs/dbraw/zinc/32/87/46/656328746.db2.gz CXXWRWAUBJLMQB-WCBMZHEXSA-N 1 2 270.333 -1.155 20 0 CAADLO Cn1nccc1CC[NH+]1CC(NC(=O)[C@@H]2CCNC2=O)C1 ZINC001030790160 656328756 /nfs/dbraw/zinc/32/87/56/656328756.db2.gz BVKXXANJLPHJDY-GFCCVEGCSA-N 1 2 291.355 -1.101 20 0 CAADLO CN1C[C@H](C(=O)NC2C[NH+](CCCO)C2)NC1=O ZINC001030790333 656329051 /nfs/dbraw/zinc/32/90/51/656329051.db2.gz DGUSZPYESAMYKP-SECBINFHSA-N 1 2 256.306 -1.807 20 0 CAADLO COC[C@@H](C)[NH+]1CC(NC(=O)[C@@H]2CCNC2=O)C1 ZINC001030791295 656329475 /nfs/dbraw/zinc/32/94/75/656329475.db2.gz BPTOQEDWQHLUND-PSASIEDQSA-N 1 2 255.318 -1.042 20 0 CAADLO O=C(NC1C[NH+](CCn2cccn2)C1)[C@@H]1CCNC1=O ZINC001030792106 656329714 /nfs/dbraw/zinc/32/97/14/656329714.db2.gz HPVYNWXFYQCZCW-LLVKDONJSA-N 1 2 277.328 -1.180 20 0 CAADLO C[C@@H](O)C[NH+]1CC(NC(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC001030793842 656329860 /nfs/dbraw/zinc/32/98/60/656329860.db2.gz XGPDFHAIWFPDCT-VXNVDRBHSA-N 1 2 256.306 -1.809 20 0 CAADLO CO[C@H](C)C[NH+]1CC(NC(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC001030793163 656330076 /nfs/dbraw/zinc/33/00/76/656330076.db2.gz JGSOUGRNMOISLI-PSASIEDQSA-N 1 2 270.333 -1.155 20 0 CAADLO CO[C@@H](C)C[NH+]1CC(NC(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC001030793166 656330195 /nfs/dbraw/zinc/33/01/95/656330195.db2.gz JGSOUGRNMOISLI-WPRPVWTQSA-N 1 2 270.333 -1.155 20 0 CAADLO C[C@H](O)C[NH+]1CC(NC(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC001030793839 656330211 /nfs/dbraw/zinc/33/02/11/656330211.db2.gz XGPDFHAIWFPDCT-CBAPKCEASA-N 1 2 256.306 -1.809 20 0 CAADLO C[C@@H](O)C[NH+]1CC(NC(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC001030793827 656330280 /nfs/dbraw/zinc/33/02/80/656330280.db2.gz XGPDFHAIWFPDCT-APPZFPTMSA-N 1 2 256.306 -1.809 20 0 CAADLO C[C@@H](O)C[NH+]1CC(NC(=O)c2c[nH]c(=O)n2C)C1 ZINC001030795346 656330822 /nfs/dbraw/zinc/33/08/22/656330822.db2.gz SWSVMZLDVRZDOO-SSDOTTSWSA-N 1 2 254.290 -1.080 20 0 CAADLO COC[C@@H](C)[NH+]1CC(NC(=O)c2nnn(C)n2)C1 ZINC001030802253 656331270 /nfs/dbraw/zinc/33/12/70/656331270.db2.gz RENGWKIYMPWLQN-SSDOTTSWSA-N 1 2 254.294 -1.341 20 0 CAADLO CN1C(=O)CC[C@H]1C(=O)NC1C[NH+](CCCO)C1 ZINC001030805230 656331401 /nfs/dbraw/zinc/33/14/01/656331401.db2.gz KZEJRWRKOMKULV-JTQLQIEISA-N 1 2 255.318 -1.210 20 0 CAADLO Cn1c[nH+]cc1CN1CC(NC(=O)c2nnn(C)n2)C1 ZINC001030803919 656331590 /nfs/dbraw/zinc/33/15/90/656331590.db2.gz IJSRNCHDWUVCCS-UHFFFAOYSA-N 1 2 276.304 -1.442 20 0 CAADLO CO[C@H](C)C[NH+]1CC(NC(=O)c2nnn(C)n2)C1 ZINC001030803964 656331600 /nfs/dbraw/zinc/33/16/00/656331600.db2.gz KKCILONMTUIYLX-SSDOTTSWSA-N 1 2 254.294 -1.341 20 0 CAADLO Cc1nc[nH]c(=O)c1C(=O)NC1C[NH+](CCO)C1 ZINC001030822266 656332654 /nfs/dbraw/zinc/33/26/54/656332654.db2.gz CVHYBMQRSQBFCG-UHFFFAOYSA-N 1 2 252.274 -1.103 20 0 CAADLO C[C@H](O)C[NH+]1CC(NC(=O)[C@H]2CCC(=O)N2C)C1 ZINC001030828943 656333005 /nfs/dbraw/zinc/33/30/05/656333005.db2.gz AEGNHAMGUJUNDC-WCBMZHEXSA-N 1 2 255.318 -1.212 20 0 CAADLO CNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCNC(=O)C2)C1 ZINC001007098510 656333328 /nfs/dbraw/zinc/33/33/28/656333328.db2.gz IPLYQXQQHPTTIP-WDEREUQCSA-N 1 2 296.371 -1.161 20 0 CAADLO CNC(=O)C[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCNC(=O)C2)C1 ZINC001007098510 656333331 /nfs/dbraw/zinc/33/33/31/656333331.db2.gz IPLYQXQQHPTTIP-WDEREUQCSA-N 1 2 296.371 -1.161 20 0 CAADLO COC[C@@H](C)[NH+]1CC(NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001030875606 656334096 /nfs/dbraw/zinc/33/40/96/656334096.db2.gz FYYONTGCAJXSAD-VXNVDRBHSA-N 1 2 256.306 -1.497 20 0 CAADLO Cn1cc(CC[NH+]2CC(NC(=O)[C@@H]3CNC(=O)N3)C2)cn1 ZINC001030876358 656334166 /nfs/dbraw/zinc/33/41/66/656334166.db2.gz SLEMFKQEPSJHKZ-NSHDSACASA-N 1 2 292.343 -1.556 20 0 CAADLO O=C(NC1C[NH+](CCn2cccn2)C1)[C@H]1CNC(=O)N1 ZINC001030875082 656334285 /nfs/dbraw/zinc/33/42/85/656334285.db2.gz AUKWOMLALDIMFT-SNVBAGLBSA-N 1 2 278.316 -1.635 20 0 CAADLO Cn1cc(CC[NH+]2CC(NC(=O)[C@H]3CNC(=O)N3)C2)cn1 ZINC001030876357 656334312 /nfs/dbraw/zinc/33/43/12/656334312.db2.gz SLEMFKQEPSJHKZ-LLVKDONJSA-N 1 2 292.343 -1.556 20 0 CAADLO O=C(NC1C[NH+](CCn2cccn2)C1)[C@@H]1CNC(=O)N1 ZINC001030875081 656334409 /nfs/dbraw/zinc/33/44/09/656334409.db2.gz AUKWOMLALDIMFT-JTQLQIEISA-N 1 2 278.316 -1.635 20 0 CAADLO CO[C@@H](C)C[NH+]1CC(NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001030878371 656335327 /nfs/dbraw/zinc/33/53/27/656335327.db2.gz OGPQXHRRZKJBKX-CBAPKCEASA-N 1 2 256.306 -1.497 20 0 CAADLO NC(=O)C(=O)NC1C[NH+](C[C@@H](O)Cc2ccccc2)C1 ZINC001030882905 656336531 /nfs/dbraw/zinc/33/65/31/656336531.db2.gz QFMKZLVGPMQIRN-LBPRGKRZSA-N 1 2 277.324 -1.124 20 0 CAADLO C[C@H](O)C[NH+]1CC(NC(=O)[C@]2(C)CCC(=O)N2)C1 ZINC001030913207 656338047 /nfs/dbraw/zinc/33/80/47/656338047.db2.gz ZTHAPBZOOSJBBB-UFBFGSQYSA-N 1 2 255.318 -1.164 20 0 CAADLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)CN1CCNC(=O)C1 ZINC000913808825 656340149 /nfs/dbraw/zinc/34/01/49/656340149.db2.gz ICABHNAMILBFTJ-GFCCVEGCSA-N 1 2 298.387 -1.355 20 0 CAADLO CC[C@@H]1COCC[N@H+]1CCNC(=O)CN1CCNC(=O)C1 ZINC000913808825 656340153 /nfs/dbraw/zinc/34/01/53/656340153.db2.gz ICABHNAMILBFTJ-GFCCVEGCSA-N 1 2 298.387 -1.355 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cc(OC)n(C)n2)C1 ZINC001015213530 656340354 /nfs/dbraw/zinc/34/03/54/656340354.db2.gz WGQQYZPPSGNNMK-SECBINFHSA-N 1 2 295.343 -1.021 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cc(OC)n(C)n2)C1 ZINC001015213530 656340358 /nfs/dbraw/zinc/34/03/58/656340358.db2.gz WGQQYZPPSGNNMK-SECBINFHSA-N 1 2 295.343 -1.021 20 0 CAADLO CC[NH+]1CCN(S(=O)(=O)[C@@H]2COC[C@H]2O)CC1 ZINC000913820361 656340562 /nfs/dbraw/zinc/34/05/62/656340562.db2.gz XMFXWDROGKZRCA-NXEZZACHSA-N 1 2 264.347 -1.287 20 0 CAADLO COCC[NH+]1CC(NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001030948143 656341109 /nfs/dbraw/zinc/34/11/09/656341109.db2.gz UJEKTHQFULMQEB-VHSXEESVSA-N 1 2 271.317 -1.534 20 0 CAADLO CO[C@H](C)C[NH+]1CC(NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001030949327 656341174 /nfs/dbraw/zinc/34/11/74/656341174.db2.gz GZAKSLSIPSJTQP-DVVUODLYSA-N 1 2 285.344 -1.145 20 0 CAADLO CN(C)C(=O)[C@@H]1CC[C@H](C(=O)NC2C[NH+](CCCO)C2)O1 ZINC001030951535 656341890 /nfs/dbraw/zinc/34/18/90/656341890.db2.gz XFIDRECOMWXHHG-NEPJUHHUSA-N 1 2 299.371 -1.195 20 0 CAADLO CO[C@H](C)C[NH+]1CC(NC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001030967497 656342218 /nfs/dbraw/zinc/34/22/18/656342218.db2.gz YMBQETTZEMGQAA-QNSHHTMESA-N 1 2 255.318 -1.057 20 0 CAADLO C[C@@H](O)C[NH+]1CC(NC(=O)[C@H]2C[C@H]2C(=O)N(C)C)C1 ZINC001030967343 656342316 /nfs/dbraw/zinc/34/23/16/656342316.db2.gz RWKSGHBDPBTZRP-DVVUODLYSA-N 1 2 269.345 -1.108 20 0 CAADLO COC[C@H](C)[NH+]1CC(NC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001030968891 656343546 /nfs/dbraw/zinc/34/35/46/656343546.db2.gz GKCRDKQQUZKODS-SFGNSQDASA-N 1 2 255.318 -1.057 20 0 CAADLO C[C@@H](C(=O)NC1C[NH+](CCO)C1)[C@@H]1CCC(=O)N1 ZINC001030990274 656344600 /nfs/dbraw/zinc/34/46/00/656344600.db2.gz DFQDIFOCFSBPPG-SCZZXKLOSA-N 1 2 255.318 -1.306 20 0 CAADLO Cc1c[nH]c(CC(N)=O)c1C(=O)NC1C[NH+](CCO)C1 ZINC001030989236 656344767 /nfs/dbraw/zinc/34/47/67/656344767.db2.gz KZPQBOQLNOPGQK-UHFFFAOYSA-N 1 2 280.328 -1.243 20 0 CAADLO C[C@H]1[C@H](NC(=O)Cc2c[nH]c[nH+]2)CCCN1C(=O)C(N)=O ZINC001015266281 656344865 /nfs/dbraw/zinc/34/48/65/656344865.db2.gz QVMHTKIAORETNV-WCBMZHEXSA-N 1 2 293.327 -1.067 20 0 CAADLO CN1CC[C@@H](N2CC(NC(=O)Cc3c[nH]c[nH+]3)C2)C1=O ZINC001031016019 656345124 /nfs/dbraw/zinc/34/51/24/656345124.db2.gz XUXRIPHFRJCYCF-LLVKDONJSA-N 1 2 277.328 -1.017 20 0 CAADLO CNC(=O)[C@H](C)N1CC(NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001031016588 656345277 /nfs/dbraw/zinc/34/52/77/656345277.db2.gz PIWMKDSQROYXKP-QMMMGPOBSA-N 1 2 265.317 -1.113 20 0 CAADLO C[C@@H](O)C[NH+]1CCN(S(=O)(=O)[C@@H]2COC[C@H]2O)CC1 ZINC000914153508 656345370 /nfs/dbraw/zinc/34/53/70/656345370.db2.gz CVYWQDRNKYQXLQ-GMTAPVOTSA-N 1 2 294.373 -1.926 20 0 CAADLO C[C@H](O)C[NH+]1CC(NC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001031026014 656345596 /nfs/dbraw/zinc/34/55/96/656345596.db2.gz LGHWARJFSTUKLJ-XPUUQOCRSA-N 1 2 270.289 -2.234 20 0 CAADLO COCC[NH+]1CC(NC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001031022055 656345603 /nfs/dbraw/zinc/34/56/03/656345603.db2.gz SUHWRBDPVACYMW-QMMMGPOBSA-N 1 2 270.289 -1.969 20 0 CAADLO CO[C@H](C)C[NH+]1CC(NC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001031026720 656345653 /nfs/dbraw/zinc/34/56/53/656345653.db2.gz ZHYUMOYIBZBKFW-APPZFPTMSA-N 1 2 284.316 -1.580 20 0 CAADLO O=C(NC1C[NH+](CCCF)C1)[C@@H]1CC(=O)NC(=O)N1 ZINC001031025855 656345673 /nfs/dbraw/zinc/34/56/73/656345673.db2.gz KBRVMRYOGYBYCN-QMMMGPOBSA-N 1 2 272.280 -1.256 20 0 CAADLO CNC(=O)CN1CC(NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001031016728 656345697 /nfs/dbraw/zinc/34/56/97/656345697.db2.gz VOCBZKXJGOYKBI-UHFFFAOYSA-N 1 2 251.290 -1.501 20 0 CAADLO C[C@@H](O)C[NH+]1CC(NC(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC001031042400 656347313 /nfs/dbraw/zinc/34/73/13/656347313.db2.gz PEOYXSUGPSHPBX-MRVPVSSYSA-N 1 2 296.327 -2.121 20 0 CAADLO C[C@H](O)C[NH+]1CC(NC(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC001031042403 656347390 /nfs/dbraw/zinc/34/73/90/656347390.db2.gz PEOYXSUGPSHPBX-QMMMGPOBSA-N 1 2 296.327 -2.121 20 0 CAADLO CC(=O)N[C@H]1CCC[N@H+](CC(=O)N2CCNC(=O)C2)[C@@H]1C ZINC000992911474 656348256 /nfs/dbraw/zinc/34/82/56/656348256.db2.gz AGCPOIDIZJCJGG-PWSUYJOCSA-N 1 2 296.371 -1.066 20 0 CAADLO CC(=O)N[C@H]1CCC[N@@H+](CC(=O)N2CCNC(=O)C2)[C@@H]1C ZINC000992911474 656348259 /nfs/dbraw/zinc/34/82/59/656348259.db2.gz AGCPOIDIZJCJGG-PWSUYJOCSA-N 1 2 296.371 -1.066 20 0 CAADLO C[C@@H](O)C[NH+]1CC(NC(=O)C[C@@H]2CCC(=O)N2)C1 ZINC001031093691 656348809 /nfs/dbraw/zinc/34/88/09/656348809.db2.gz JIJLQYKTTDGVNU-BDAKNGLRSA-N 1 2 255.318 -1.164 20 0 CAADLO O=C(C[C@H]1CCC(=O)N1)NC1C[NH+](CCCO)C1 ZINC001031093501 656348832 /nfs/dbraw/zinc/34/88/32/656348832.db2.gz GCAYNKBEVOLXJO-SECBINFHSA-N 1 2 255.318 -1.162 20 0 CAADLO CC(C)c1nnnn1CC(=O)NC1C[NH+](C[C@@H](C)O)C1 ZINC001031073405 656348982 /nfs/dbraw/zinc/34/89/82/656348982.db2.gz XHRHHLPOKOELPI-SECBINFHSA-N 1 2 282.348 -1.022 20 0 CAADLO CC[NH+]1CC(NC(=O)C2CC3(C2)NC(=O)NC3=O)C1 ZINC001031090619 656349150 /nfs/dbraw/zinc/34/91/50/656349150.db2.gz BQVBSNVRMYKWOD-UHFFFAOYSA-N 1 2 266.301 -1.205 20 0 CAADLO CO[C@H](C)C[NH+]1CC(NC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001031097772 656349341 /nfs/dbraw/zinc/34/93/41/656349341.db2.gz JKHGHIRTGBLKDC-MRVPVSSYSA-N 1 2 283.328 -1.126 20 0 CAADLO Cc1nn[nH]c1C(=O)N[C@H]1CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001015479451 656349886 /nfs/dbraw/zinc/34/98/86/656349886.db2.gz JPLYOWIWVBVHJV-IUCAKERBSA-N 1 2 278.316 -1.194 20 0 CAADLO Cc1nn[nH]c1C(=O)N[C@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001015479451 656349887 /nfs/dbraw/zinc/34/98/87/656349887.db2.gz JPLYOWIWVBVHJV-IUCAKERBSA-N 1 2 278.316 -1.194 20 0 CAADLO COCC[NH+]1CC(NC(=O)CN2CC(=O)NC2=O)C1 ZINC001031114382 656350009 /nfs/dbraw/zinc/35/00/09/656350009.db2.gz QGBMYBMCYYBKHW-UHFFFAOYSA-N 1 2 270.289 -2.015 20 0 CAADLO O=C(C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCNC2=O)C1)NC1CC1 ZINC001015506395 656350566 /nfs/dbraw/zinc/35/05/66/656350566.db2.gz XUVXTYRHKPMFBM-MNOVXSKESA-N 1 2 294.355 -1.408 20 0 CAADLO O=C(C[N@H+]1CC[C@@H](NC(=O)[C@H]2CCNC2=O)C1)NC1CC1 ZINC001015506395 656350570 /nfs/dbraw/zinc/35/05/70/656350570.db2.gz XUVXTYRHKPMFBM-MNOVXSKESA-N 1 2 294.355 -1.408 20 0 CAADLO C[C@@H](O)C[NH+]1CC(NC(=O)c2nc3ncccn3n2)C1 ZINC001031126396 656350842 /nfs/dbraw/zinc/35/08/42/656350842.db2.gz SNKNGAORHXPYRU-MRVPVSSYSA-N 1 2 276.300 -1.081 20 0 CAADLO O=C(C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCNC2=O)C1)NC1CC1 ZINC001015506410 656350934 /nfs/dbraw/zinc/35/09/34/656350934.db2.gz XUVXTYRHKPMFBM-WDEREUQCSA-N 1 2 294.355 -1.408 20 0 CAADLO O=C(C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCNC2=O)C1)NC1CC1 ZINC001015506410 656350935 /nfs/dbraw/zinc/35/09/35/656350935.db2.gz XUVXTYRHKPMFBM-WDEREUQCSA-N 1 2 294.355 -1.408 20 0 CAADLO O=C(NC1C[NH+](CCCO)C1)c1nc2ncccn2n1 ZINC001031125136 656351104 /nfs/dbraw/zinc/35/11/04/656351104.db2.gz DWJOVZAVTLGEDR-UHFFFAOYSA-N 1 2 276.300 -1.079 20 0 CAADLO C[C@H](C(N)=O)N1CC(NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001031145327 656351616 /nfs/dbraw/zinc/35/16/16/656351616.db2.gz UJBFIKFRMDXNRD-SSDOTTSWSA-N 1 2 251.290 -1.374 20 0 CAADLO O=C(Cc1[nH]cc[nH+]1)NC1CN([C@H]2CCC(=O)NC2=O)C1 ZINC001031145419 656351622 /nfs/dbraw/zinc/35/16/22/656351622.db2.gz YQFLADSKDGVRFV-VIFPVBQESA-N 1 2 291.311 -1.442 20 0 CAADLO O=C(Cc1[nH]cc[nH+]1)NC1CN([C@H]2CCNC2=O)C1 ZINC001031145318 656351664 /nfs/dbraw/zinc/35/16/64/656351664.db2.gz TURGGHDZKFNAHE-VIFPVBQESA-N 1 2 263.301 -1.359 20 0 CAADLO CN1N=C(C(=O)NC[C@@H](O)C[NH+]2CCOCC2)CCC1=O ZINC000914536903 656351765 /nfs/dbraw/zinc/35/17/65/656351765.db2.gz LYGRTNLDIHLZSC-SNVBAGLBSA-N 1 2 298.343 -1.596 20 0 CAADLO CNC(=O)[C@@H](C)N1CC(NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001031145387 656351937 /nfs/dbraw/zinc/35/19/37/656351937.db2.gz XTKJMYHEDVKTLX-MRVPVSSYSA-N 1 2 265.317 -1.113 20 0 CAADLO C[C@H](O)C[NH+]1CC(NC(=O)c2cc(C(N)=O)c[nH]2)C1 ZINC001031155155 656352359 /nfs/dbraw/zinc/35/23/59/656352359.db2.gz GDNYQLGPJXLJLU-ZETCQYMHSA-N 1 2 266.301 -1.092 20 0 CAADLO COCC(COC)[N@@H+]1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC000929842214 656352425 /nfs/dbraw/zinc/35/24/25/656352425.db2.gz GEIGAEAZAUTINR-VIFPVBQESA-N 1 2 271.317 -1.710 20 0 CAADLO COCC(COC)[N@H+]1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC000929842214 656352429 /nfs/dbraw/zinc/35/24/29/656352429.db2.gz GEIGAEAZAUTINR-VIFPVBQESA-N 1 2 271.317 -1.710 20 0 CAADLO Cc1cc(C)n(CC(=O)NC2C[NH+](CCO)C2)c(=O)n1 ZINC001031158637 656352625 /nfs/dbraw/zinc/35/26/25/656352625.db2.gz XXOVVCDMPRQYFQ-UHFFFAOYSA-N 1 2 280.328 -1.347 20 0 CAADLO C[C@@H](O)C[NH+]1CC(NC(=O)c2cc(C(N)=O)c[nH]2)C1 ZINC001031155154 656352643 /nfs/dbraw/zinc/35/26/43/656352643.db2.gz GDNYQLGPJXLJLU-SSDOTTSWSA-N 1 2 266.301 -1.092 20 0 CAADLO Cn1nnc(C(=O)N[C@@H]2CC[N@@H+]([C@@H]3CCN(C)C3=O)C2)n1 ZINC001015548239 656352818 /nfs/dbraw/zinc/35/28/18/656352818.db2.gz BFOSFDPBOCJFFU-RKDXNWHRSA-N 1 2 293.331 -1.755 20 0 CAADLO Cn1nnc(C(=O)N[C@@H]2CC[N@H+]([C@@H]3CCN(C)C3=O)C2)n1 ZINC001015548239 656352821 /nfs/dbraw/zinc/35/28/21/656352821.db2.gz BFOSFDPBOCJFFU-RKDXNWHRSA-N 1 2 293.331 -1.755 20 0 CAADLO O=C1NC[C@H]2C[N@H+](C[C@@H]3CCC4(COC4)O3)CCN2C1=O ZINC000929845681 656353221 /nfs/dbraw/zinc/35/32/21/656353221.db2.gz YDRXPRKIZIDDFD-QWRGUYRKSA-N 1 2 295.339 -1.423 20 0 CAADLO O=C1NC[C@H]2C[N@@H+](C[C@@H]3CCC4(COC4)O3)CCN2C1=O ZINC000929845681 656353226 /nfs/dbraw/zinc/35/32/26/656353226.db2.gz YDRXPRKIZIDDFD-QWRGUYRKSA-N 1 2 295.339 -1.423 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001015553060 656353284 /nfs/dbraw/zinc/35/32/84/656353284.db2.gz UENQAQRKMCFSET-UXCLJVHYSA-N 1 2 267.329 -1.185 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001015553060 656353286 /nfs/dbraw/zinc/35/32/86/656353286.db2.gz UENQAQRKMCFSET-UXCLJVHYSA-N 1 2 267.329 -1.185 20 0 CAADLO C[C@@H](O)C[NH+]1CC(NC(=O)CN2C(=O)NC(=O)C2(C)C)C1 ZINC001031200684 656354381 /nfs/dbraw/zinc/35/43/81/656354381.db2.gz UMTHTMCUKJPMIP-MRVPVSSYSA-N 1 2 298.343 -1.502 20 0 CAADLO C[C@H](O)C[NH+]1CC(NC(=O)CN2CCC(=O)NC2=O)C1 ZINC001031211633 656355344 /nfs/dbraw/zinc/35/53/44/656355344.db2.gz ORFLVAOVTKHQBB-QMMMGPOBSA-N 1 2 284.316 -1.891 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCc3nn[nH]c32)C1 ZINC001015620348 656355484 /nfs/dbraw/zinc/35/54/84/656355484.db2.gz KIFJECPMDIOPBT-RKDXNWHRSA-N 1 2 292.343 -1.100 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCc3nn[nH]c32)C1 ZINC001015620348 656355487 /nfs/dbraw/zinc/35/54/87/656355487.db2.gz KIFJECPMDIOPBT-RKDXNWHRSA-N 1 2 292.343 -1.100 20 0 CAADLO CC(=O)N1CC(C(=O)N[C@H]2CCC[N@H+](CC(N)=O)[C@@H]2C)C1 ZINC000993272131 656356323 /nfs/dbraw/zinc/35/63/23/656356323.db2.gz YSJGFAALSZNTHO-SKDRFNHKSA-N 1 2 296.371 -1.081 20 0 CAADLO CC(=O)N1CC(C(=O)N[C@H]2CCC[N@@H+](CC(N)=O)[C@@H]2C)C1 ZINC000993272131 656356326 /nfs/dbraw/zinc/35/63/26/656356326.db2.gz YSJGFAALSZNTHO-SKDRFNHKSA-N 1 2 296.371 -1.081 20 0 CAADLO NC(=O)C(=O)N[C@H]1CC[N@H+](CC(=O)N2CCCC2)C1 ZINC001015637044 656356357 /nfs/dbraw/zinc/35/63/57/656356357.db2.gz HGJIOKBVKRMASO-VIFPVBQESA-N 1 2 268.317 -1.715 20 0 CAADLO NC(=O)C(=O)N[C@H]1CC[N@@H+](CC(=O)N2CCCC2)C1 ZINC001015637044 656356364 /nfs/dbraw/zinc/35/63/64/656356364.db2.gz HGJIOKBVKRMASO-VIFPVBQESA-N 1 2 268.317 -1.715 20 0 CAADLO CCn1nnc(C)c1C[N@@H+]1CC[C@@H](NC(=O)C(N)=O)C1 ZINC001015636642 656356430 /nfs/dbraw/zinc/35/64/30/656356430.db2.gz BSAWACINWBIRTB-SECBINFHSA-N 1 2 280.332 -1.218 20 0 CAADLO CCn1nnc(C)c1C[N@H+]1CC[C@@H](NC(=O)C(N)=O)C1 ZINC001015636642 656356433 /nfs/dbraw/zinc/35/64/33/656356433.db2.gz BSAWACINWBIRTB-SECBINFHSA-N 1 2 280.332 -1.218 20 0 CAADLO C[C@H]1[C@@H](NC(=O)c2cnnn2C)CCC[N@@H+]1CC(N)=O ZINC000993280020 656356740 /nfs/dbraw/zinc/35/67/40/656356740.db2.gz MRJGBESZOWEJJR-IUCAKERBSA-N 1 2 280.332 -1.117 20 0 CAADLO C[C@H]1[C@@H](NC(=O)c2cnnn2C)CCC[N@H+]1CC(N)=O ZINC000993280020 656356741 /nfs/dbraw/zinc/35/67/41/656356741.db2.gz MRJGBESZOWEJJR-IUCAKERBSA-N 1 2 280.332 -1.117 20 0 CAADLO C[C@@H]1CCCN(C(=O)C[N@@H+]2CC[C@H](NC(=O)C(N)=O)C2)C1 ZINC001015637870 656356887 /nfs/dbraw/zinc/35/68/87/656356887.db2.gz TYWVFYRRCHROAO-MNOVXSKESA-N 1 2 296.371 -1.079 20 0 CAADLO C[C@@H]1CCCN(C(=O)C[N@H+]2CC[C@H](NC(=O)C(N)=O)C2)C1 ZINC001015637870 656356891 /nfs/dbraw/zinc/35/68/91/656356891.db2.gz TYWVFYRRCHROAO-MNOVXSKESA-N 1 2 296.371 -1.079 20 0 CAADLO C[C@@H]1[C@@H](NC(=O)c2cnnn2C)CCC[N@@H+]1CC(N)=O ZINC000993280016 656356931 /nfs/dbraw/zinc/35/69/31/656356931.db2.gz MRJGBESZOWEJJR-BDAKNGLRSA-N 1 2 280.332 -1.117 20 0 CAADLO C[C@@H]1[C@@H](NC(=O)c2cnnn2C)CCC[N@H+]1CC(N)=O ZINC000993280016 656356935 /nfs/dbraw/zinc/35/69/35/656356935.db2.gz MRJGBESZOWEJJR-BDAKNGLRSA-N 1 2 280.332 -1.117 20 0 CAADLO C[C@@H]1CCCN(C(=O)C[N@@H+]2CC[C@@H](NC(=O)C(N)=O)C2)C1 ZINC001015637869 656356940 /nfs/dbraw/zinc/35/69/40/656356940.db2.gz TYWVFYRRCHROAO-GHMZBOCLSA-N 1 2 296.371 -1.079 20 0 CAADLO C[C@@H]1CCCN(C(=O)C[N@H+]2CC[C@@H](NC(=O)C(N)=O)C2)C1 ZINC001015637869 656356942 /nfs/dbraw/zinc/35/69/42/656356942.db2.gz TYWVFYRRCHROAO-GHMZBOCLSA-N 1 2 296.371 -1.079 20 0 CAADLO C[C@@H]1[C@@H](NC(=O)c2ncn(C)n2)CCC[N@@H+]1CC(N)=O ZINC000993301031 656357203 /nfs/dbraw/zinc/35/72/03/656357203.db2.gz QAHNPZCZEXBNDJ-BDAKNGLRSA-N 1 2 280.332 -1.117 20 0 CAADLO C[C@@H]1[C@@H](NC(=O)c2ncn(C)n2)CCC[N@H+]1CC(N)=O ZINC000993301031 656357208 /nfs/dbraw/zinc/35/72/08/656357208.db2.gz QAHNPZCZEXBNDJ-BDAKNGLRSA-N 1 2 280.332 -1.117 20 0 CAADLO NC(=O)C(=O)N[C@@H]1CC[N@@H+]([C@@H]2CCCNC2=O)C1 ZINC001015640919 656357788 /nfs/dbraw/zinc/35/77/88/656357788.db2.gz UUWZKCVAZKGZFX-HTQZYQBOSA-N 1 2 254.290 -2.059 20 0 CAADLO NC(=O)C(=O)N[C@@H]1CC[N@H+]([C@@H]2CCCNC2=O)C1 ZINC001015640919 656357794 /nfs/dbraw/zinc/35/77/94/656357794.db2.gz UUWZKCVAZKGZFX-HTQZYQBOSA-N 1 2 254.290 -2.059 20 0 CAADLO C[C@H](O)C[NH+]1CC(NC(=O)CN2CC(=O)N(C)C2=O)C1 ZINC001031250194 656357934 /nfs/dbraw/zinc/35/79/34/656357934.db2.gz XNLQCHGCPXGBDZ-QMMMGPOBSA-N 1 2 284.316 -1.938 20 0 CAADLO CN1C(=O)CN(CC(=O)NC2C[NH+](CCO)C2)C1=O ZINC001031247547 656358048 /nfs/dbraw/zinc/35/80/48/656358048.db2.gz NNWMAZVGWBKMKH-UHFFFAOYSA-N 1 2 270.289 -2.327 20 0 CAADLO COc1c(=O)[nH]c(=O)[nH]c1C(=O)NC1C[NH+](CCCO)C1 ZINC001031250104 656358106 /nfs/dbraw/zinc/35/81/06/656358106.db2.gz TZDORTRBOMEILK-UHFFFAOYSA-N 1 2 298.299 -1.307 20 0 CAADLO COC[C@@H](C)[NH+]1CC(NC(=O)CN2CC(=O)N(C)C2=O)C1 ZINC001031247388 656358337 /nfs/dbraw/zinc/35/83/37/656358337.db2.gz IWZMUXCRNWLCAN-SECBINFHSA-N 1 2 298.343 -1.284 20 0 CAADLO CC[NH+]1CC(NC(=O)c2cc(=O)n3[nH]cnc3n2)C1 ZINC001031254016 656358609 /nfs/dbraw/zinc/35/86/09/656358609.db2.gz UZSJMENWSKIXFE-UHFFFAOYSA-N 1 2 262.273 -1.149 20 0 CAADLO COC(=O)N(C)CC(=O)NC[C@@H](O)C[NH+]1CCOCC1 ZINC000915853214 656358972 /nfs/dbraw/zinc/35/89/72/656358972.db2.gz QKBOMWGLLQZUPJ-SNVBAGLBSA-N 1 2 289.332 -1.506 20 0 CAADLO CN(C)C(=O)CN1CC(NC(=O)Cc2c[nH+]cn2C)C1 ZINC001031257433 656358993 /nfs/dbraw/zinc/35/89/93/656358993.db2.gz RWNYXIQZJNWMOS-UHFFFAOYSA-N 1 2 279.344 -1.149 20 0 CAADLO COCC[NH+]1CC(NC(=O)c2cc(=O)n3[nH]cnc3n2)C1 ZINC001031251795 656358999 /nfs/dbraw/zinc/35/89/99/656358999.db2.gz ZAEYNBIWDOUOCS-UHFFFAOYSA-N 1 2 292.299 -1.522 20 0 CAADLO C[C@@H]1[C@@H](NC(=O)Cn2ncnn2)CCC[N@@H+]1CC(N)=O ZINC000993356378 656359148 /nfs/dbraw/zinc/35/91/48/656359148.db2.gz WRXDMPQJFLVJOR-BDAKNGLRSA-N 1 2 281.320 -1.873 20 0 CAADLO C[C@@H]1[C@@H](NC(=O)Cn2ncnn2)CCC[N@H+]1CC(N)=O ZINC000993356378 656359151 /nfs/dbraw/zinc/35/91/51/656359151.db2.gz WRXDMPQJFLVJOR-BDAKNGLRSA-N 1 2 281.320 -1.873 20 0 CAADLO Cn1c[nH+]cc1CC(=O)NC1CN(Cc2nnn(C)n2)C1 ZINC001031259606 656359285 /nfs/dbraw/zinc/35/92/85/656359285.db2.gz FZFBNCJTNOGZIN-UHFFFAOYSA-N 1 2 290.331 -1.513 20 0 CAADLO Cn1cccc(C(=O)NC2C[NH+](CCO)C2)c1=O ZINC001031276744 656359365 /nfs/dbraw/zinc/35/93/65/656359365.db2.gz NQKUPRAAORSFPE-UHFFFAOYSA-N 1 2 251.286 -1.208 20 0 CAADLO CNC(=O)[C@@H](C)N1CC(NC(=O)Cc2c[nH+]cn2C)C1 ZINC001031258744 656359378 /nfs/dbraw/zinc/35/93/78/656359378.db2.gz RGWHBGRYOCARAL-SECBINFHSA-N 1 2 279.344 -1.103 20 0 CAADLO CNC(=O)CN1CC(NC(=O)Cc2c[nH+]cn2C)C1 ZINC001031257579 656359387 /nfs/dbraw/zinc/35/93/87/656359387.db2.gz WNBIABSVWULPFK-UHFFFAOYSA-N 1 2 265.317 -1.491 20 0 CAADLO Cn1cc(C(=O)N[C@H]2CC[N@H+](CC(N)=O)C2)[nH]c1=O ZINC001015657605 656359558 /nfs/dbraw/zinc/35/95/58/656359558.db2.gz SZXDBVQPAODTPL-ZETCQYMHSA-N 1 2 267.289 -1.585 20 0 CAADLO Cn1cc(C(=O)N[C@H]2CC[N@@H+](CC(N)=O)C2)[nH]c1=O ZINC001015657605 656359559 /nfs/dbraw/zinc/35/95/59/656359559.db2.gz SZXDBVQPAODTPL-ZETCQYMHSA-N 1 2 267.289 -1.585 20 0 CAADLO Cn1c[nH+]cc1CC(=O)NC1CN([C@H]2CCNC2=O)C1 ZINC001031261280 656359577 /nfs/dbraw/zinc/35/95/77/656359577.db2.gz DYEPLNCHRGEDHK-NSHDSACASA-N 1 2 277.328 -1.349 20 0 CAADLO Cn1c[nH+]cc1CC(=O)NC1CN([C@H]2CCN(C)C2=O)C1 ZINC001031258583 656359610 /nfs/dbraw/zinc/35/96/10/656359610.db2.gz MVPZGJAZETXTMQ-LBPRGKRZSA-N 1 2 291.355 -1.006 20 0 CAADLO Cn1cc(C(=O)N[C@@H]2CC[N@H+](CC(N)=O)C2)[nH]c1=O ZINC001015657604 656359803 /nfs/dbraw/zinc/35/98/03/656359803.db2.gz SZXDBVQPAODTPL-SSDOTTSWSA-N 1 2 267.289 -1.585 20 0 CAADLO Cn1cc(C(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C2)[nH]c1=O ZINC001015657604 656359806 /nfs/dbraw/zinc/35/98/06/656359806.db2.gz SZXDBVQPAODTPL-SSDOTTSWSA-N 1 2 267.289 -1.585 20 0 CAADLO O=C(NC1C[NH+](CCn2cccn2)C1)[C@@H]1CCC(=O)N1 ZINC001031280996 656360072 /nfs/dbraw/zinc/36/00/72/656360072.db2.gz DVTLGVRALPSEDX-NSHDSACASA-N 1 2 277.328 -1.038 20 0 CAADLO Cc1ccc(=O)n(CC(=O)NC2C[NH+](CCCO)C2)n1 ZINC001031287487 656360196 /nfs/dbraw/zinc/36/01/96/656360196.db2.gz CEVFNEVYTUJWLY-UHFFFAOYSA-N 1 2 280.328 -1.265 20 0 CAADLO CN1CCOC[C@@H]1C(=O)N[C@@H]1CCC[N@H+](CC(N)=O)C1 ZINC001007153390 656360266 /nfs/dbraw/zinc/36/02/66/656360266.db2.gz BGBRRCRBQOJTQQ-GHMZBOCLSA-N 1 2 284.360 -1.617 20 0 CAADLO CN1CCOC[C@@H]1C(=O)N[C@@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001007153390 656360267 /nfs/dbraw/zinc/36/02/67/656360267.db2.gz BGBRRCRBQOJTQQ-GHMZBOCLSA-N 1 2 284.360 -1.617 20 0 CAADLO CN1CCOC[C@H]1C(=O)N[C@@H]1CCC[N@H+](CC(N)=O)C1 ZINC001007153393 656360371 /nfs/dbraw/zinc/36/03/71/656360371.db2.gz BGBRRCRBQOJTQQ-MNOVXSKESA-N 1 2 284.360 -1.617 20 0 CAADLO CN1CCOC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001007153393 656360374 /nfs/dbraw/zinc/36/03/74/656360374.db2.gz BGBRRCRBQOJTQQ-MNOVXSKESA-N 1 2 284.360 -1.617 20 0 CAADLO CC(=O)N1CCC[C@H]1C(=O)NC1C[NH+](CCO)C1 ZINC001031283440 656360379 /nfs/dbraw/zinc/36/03/79/656360379.db2.gz WIZGGFXYJHPKCG-NSHDSACASA-N 1 2 255.318 -1.210 20 0 CAADLO CC(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NC(=O)C(N)=O)C1 ZINC000993581309 656361050 /nfs/dbraw/zinc/36/10/50/656361050.db2.gz RRLIGVGCGUTQNK-RKDXNWHRSA-N 1 2 279.300 -1.664 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cccc(=O)n2C)C1 ZINC001015681097 656361214 /nfs/dbraw/zinc/36/12/14/656361214.db2.gz GCAOMAQHUSXKAE-SNVBAGLBSA-N 1 2 292.339 -1.065 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cccc(=O)n2C)C1 ZINC001015681097 656361216 /nfs/dbraw/zinc/36/12/16/656361216.db2.gz GCAOMAQHUSXKAE-SNVBAGLBSA-N 1 2 292.339 -1.065 20 0 CAADLO CNC(=O)C[N@@H+]1CCC[C@H](NC(=O)C(N)=O)[C@@H]1C ZINC000993743542 656361230 /nfs/dbraw/zinc/36/12/30/656361230.db2.gz JKFPXOPCTQCRGG-YUMQZZPRSA-N 1 2 256.306 -1.813 20 0 CAADLO CNC(=O)C[N@H+]1CCC[C@H](NC(=O)C(N)=O)[C@@H]1C ZINC000993743542 656361231 /nfs/dbraw/zinc/36/12/31/656361231.db2.gz JKFPXOPCTQCRGG-YUMQZZPRSA-N 1 2 256.306 -1.813 20 0 CAADLO C[C@H]1[C@@H](NC(=O)C(N)=O)CCC[N@@H+]1CC(=O)NC1CC1 ZINC000993744828 656361542 /nfs/dbraw/zinc/36/15/42/656361542.db2.gz KXEGVOIXOZOOTG-WPRPVWTQSA-N 1 2 282.344 -1.281 20 0 CAADLO C[C@H]1[C@@H](NC(=O)C(N)=O)CCC[N@H+]1CC(=O)NC1CC1 ZINC000993744828 656361545 /nfs/dbraw/zinc/36/15/45/656361545.db2.gz KXEGVOIXOZOOTG-WPRPVWTQSA-N 1 2 282.344 -1.281 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cccc(=O)n2C)C1 ZINC001015681096 656361623 /nfs/dbraw/zinc/36/16/23/656361623.db2.gz GCAOMAQHUSXKAE-JTQLQIEISA-N 1 2 292.339 -1.065 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cccc(=O)n2C)C1 ZINC001015681096 656361624 /nfs/dbraw/zinc/36/16/24/656361624.db2.gz GCAOMAQHUSXKAE-JTQLQIEISA-N 1 2 292.339 -1.065 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCCC(=O)N2)C1 ZINC001015686278 656362214 /nfs/dbraw/zinc/36/22/14/656362214.db2.gz YJQPUIRYZWHMOV-QWRGUYRKSA-N 1 2 296.371 -1.018 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCCC(=O)N2)C1 ZINC001015686278 656362216 /nfs/dbraw/zinc/36/22/16/656362216.db2.gz YJQPUIRYZWHMOV-QWRGUYRKSA-N 1 2 296.371 -1.018 20 0 CAADLO CNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2COCCN2C)C1 ZINC001007157203 656362361 /nfs/dbraw/zinc/36/23/61/656362361.db2.gz RXITVBLZVPMZOW-NEPJUHHUSA-N 1 2 298.387 -1.356 20 0 CAADLO CNC(=O)C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2COCCN2C)C1 ZINC001007157203 656362362 /nfs/dbraw/zinc/36/23/62/656362362.db2.gz RXITVBLZVPMZOW-NEPJUHHUSA-N 1 2 298.387 -1.356 20 0 CAADLO CNC(=O)C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2COCCN2C)C1 ZINC001007157209 656362369 /nfs/dbraw/zinc/36/23/69/656362369.db2.gz RXITVBLZVPMZOW-RYUDHWBXSA-N 1 2 298.387 -1.356 20 0 CAADLO CNC(=O)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2COCCN2C)C1 ZINC001007157209 656362371 /nfs/dbraw/zinc/36/23/71/656362371.db2.gz RXITVBLZVPMZOW-RYUDHWBXSA-N 1 2 298.387 -1.356 20 0 CAADLO C[C@H]1[C@H](NC(=O)Cc2nc[nH]n2)CCC[N@@H+]1CC(N)=O ZINC000994199294 656363342 /nfs/dbraw/zinc/36/33/42/656363342.db2.gz DHEOEAZGJVZOLU-DTWKUNHWSA-N 1 2 280.332 -1.198 20 0 CAADLO C[C@H]1[C@H](NC(=O)Cc2nc[nH]n2)CCC[N@H+]1CC(N)=O ZINC000994199294 656363344 /nfs/dbraw/zinc/36/33/44/656363344.db2.gz DHEOEAZGJVZOLU-DTWKUNHWSA-N 1 2 280.332 -1.198 20 0 CAADLO C[C@@H]1[C@H](NC(=O)Cc2nc[nH]n2)CCC[N@@H+]1CC(N)=O ZINC000994199302 656363465 /nfs/dbraw/zinc/36/34/65/656363465.db2.gz DHEOEAZGJVZOLU-RKDXNWHRSA-N 1 2 280.332 -1.198 20 0 CAADLO C[C@@H]1[C@H](NC(=O)Cc2nc[nH]n2)CCC[N@H+]1CC(N)=O ZINC000994199302 656363467 /nfs/dbraw/zinc/36/34/67/656363467.db2.gz DHEOEAZGJVZOLU-RKDXNWHRSA-N 1 2 280.332 -1.198 20 0 CAADLO C[C@H]1[C@@H](NC(=O)Cc2nc[nH]n2)CCC[N@@H+]1CC(N)=O ZINC000994199298 656363477 /nfs/dbraw/zinc/36/34/77/656363477.db2.gz DHEOEAZGJVZOLU-IUCAKERBSA-N 1 2 280.332 -1.198 20 0 CAADLO C[C@H]1[C@@H](NC(=O)Cc2nc[nH]n2)CCC[N@H+]1CC(N)=O ZINC000994199298 656363480 /nfs/dbraw/zinc/36/34/80/656363480.db2.gz DHEOEAZGJVZOLU-IUCAKERBSA-N 1 2 280.332 -1.198 20 0 CAADLO Cc1[nH+]c[nH]c1CC(=O)NC1CN([C@@H]2CCNC2=O)C1 ZINC001031313306 656364075 /nfs/dbraw/zinc/36/40/75/656364075.db2.gz ICOQUVPQWOCNNX-LLVKDONJSA-N 1 2 277.328 -1.050 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001015714770 656364632 /nfs/dbraw/zinc/36/46/32/656364632.db2.gz JOJPSNSDHNQHKV-YIZRAAEISA-N 1 2 268.317 -1.956 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001015714770 656364633 /nfs/dbraw/zinc/36/46/33/656364633.db2.gz JOJPSNSDHNQHKV-YIZRAAEISA-N 1 2 268.317 -1.956 20 0 CAADLO C[C@@H]1[C@H](NC(=O)Cn2cncn2)CCC[N@@H+]1CC(N)=O ZINC000994347535 656365051 /nfs/dbraw/zinc/36/50/51/656365051.db2.gz KNHHWAPGPJVKQW-NXEZZACHSA-N 1 2 280.332 -1.268 20 0 CAADLO C[C@@H]1[C@H](NC(=O)Cn2cncn2)CCC[N@H+]1CC(N)=O ZINC000994347535 656365054 /nfs/dbraw/zinc/36/50/54/656365054.db2.gz KNHHWAPGPJVKQW-NXEZZACHSA-N 1 2 280.332 -1.268 20 0 CAADLO CC(=O)N1CCO[C@@H](C(=O)NC2C[NH+](C[C@@H](C)O)C2)C1 ZINC001031331643 656365391 /nfs/dbraw/zinc/36/53/91/656365391.db2.gz DTBGBHMXASCATB-BXKDBHETSA-N 1 2 285.344 -1.585 20 0 CAADLO COC[C@H](C)[NH+]1CC(NC(=O)Cn2nc(C)n(C)c2=O)C1 ZINC001031334336 656365502 /nfs/dbraw/zinc/36/55/02/656365502.db2.gz QZZJNDBTLUYMRP-VIFPVBQESA-N 1 2 297.359 -1.274 20 0 CAADLO CC(=O)N1CCO[C@H](C(=O)NC2C[NH+](CCCO)C2)C1 ZINC001031333574 656365602 /nfs/dbraw/zinc/36/56/02/656365602.db2.gz PKILCNICBKSPLM-LBPRGKRZSA-N 1 2 285.344 -1.584 20 0 CAADLO CC(=O)N1CCO[C@@H](C(=O)NC2C[NH+](C[C@H](C)O)C2)C1 ZINC001031331645 656365705 /nfs/dbraw/zinc/36/57/05/656365705.db2.gz DTBGBHMXASCATB-JOYOIKCWSA-N 1 2 285.344 -1.585 20 0 CAADLO C[C@H](O)C[NH+]1CC(NC(=O)CN2C(=O)NC(C)(C)C2=O)C1 ZINC001031349069 656365774 /nfs/dbraw/zinc/36/57/74/656365774.db2.gz LCVPSWPABNRLGK-QMMMGPOBSA-N 1 2 298.343 -1.502 20 0 CAADLO CC(=O)N1CCO[C@H](C(=O)NC2C[NH+](C[C@@H](C)O)C2)C1 ZINC001031331646 656365782 /nfs/dbraw/zinc/36/57/82/656365782.db2.gz DTBGBHMXASCATB-SKDRFNHKSA-N 1 2 285.344 -1.585 20 0 CAADLO C[C@@H](O)C[NH+]1CC(NC(=O)c2ccc(=O)n(C)n2)C1 ZINC001031354409 656365919 /nfs/dbraw/zinc/36/59/19/656365919.db2.gz BJUJKRWOTNMRAY-MRVPVSSYSA-N 1 2 266.301 -1.425 20 0 CAADLO C[C@H](O)C[NH+]1CC(NC(=O)c2ccc(=O)n(C)n2)C1 ZINC001031354411 656366219 /nfs/dbraw/zinc/36/62/19/656366219.db2.gz BJUJKRWOTNMRAY-QMMMGPOBSA-N 1 2 266.301 -1.425 20 0 CAADLO COC[C@@H](C)[NH+]1CC(NC(=O)CN2C(=O)CN(C)C2=O)C1 ZINC001031361044 656366707 /nfs/dbraw/zinc/36/67/07/656366707.db2.gz AVEYMJJXZZDOOM-SECBINFHSA-N 1 2 298.343 -1.284 20 0 CAADLO C[C@@H](O)C[NH+]1CC(NC(=O)CN2C(=O)CNC2=O)C1 ZINC001031363729 656366798 /nfs/dbraw/zinc/36/67/98/656366798.db2.gz PNGPGSBKMNFIKB-SSDOTTSWSA-N 1 2 270.289 -2.281 20 0 CAADLO COC[C@@H](C)[NH+]1CC(NC(=O)CN2C(=O)CNC2=O)C1 ZINC001031362692 656366909 /nfs/dbraw/zinc/36/69/09/656366909.db2.gz PXNJXCARFDQCAP-MRVPVSSYSA-N 1 2 284.316 -1.627 20 0 CAADLO COCC[NH+]1CC(NC(=O)CN2C(=O)CCC2=O)C1 ZINC001031367241 656367320 /nfs/dbraw/zinc/36/73/20/656367320.db2.gz PWWSYUZVFIUWNP-UHFFFAOYSA-N 1 2 269.301 -1.418 20 0 CAADLO O=C(Cc1nc2ncccn2n1)NC1C[NH+](CCCO)C1 ZINC001031383782 656368078 /nfs/dbraw/zinc/36/80/78/656368078.db2.gz MUPVILJHXCWBIB-UHFFFAOYSA-N 1 2 290.327 -1.150 20 0 CAADLO C[C@H](O)C[NH+]1CC(NC(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001031402225 656368936 /nfs/dbraw/zinc/36/89/36/656368936.db2.gz CWPXFZFZFLZVRP-IONNQARKSA-N 1 2 277.346 -2.141 20 0 CAADLO O=C(NC1C[NH+](CCCF)C1)[C@@H]1CCS(=O)(=O)N1 ZINC001031401568 656369028 /nfs/dbraw/zinc/36/90/28/656369028.db2.gz CCKRZIJVJNITKE-VIFPVBQESA-N 1 2 279.337 -1.162 20 0 CAADLO CO[C@@H](C)C[NH+]1CC(NC(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001031402821 656369014 /nfs/dbraw/zinc/36/90/14/656369014.db2.gz RJLJGRPBPIENKX-WPRPVWTQSA-N 1 2 291.373 -1.487 20 0 CAADLO O=C(NC1C[NH+](CCCO)C1)[C@@H]1CCS(=O)(=O)N1 ZINC001031402894 656369055 /nfs/dbraw/zinc/36/90/55/656369055.db2.gz SPQRJRAXUDNCGW-VIFPVBQESA-N 1 2 277.346 -2.139 20 0 CAADLO C[C@H](O)C[NH+]1CC(NC(=O)c2cncc(C(N)=O)c2)C1 ZINC001031404355 656369083 /nfs/dbraw/zinc/36/90/83/656369083.db2.gz VTDMBGAAUIVGOY-QMMMGPOBSA-N 1 2 278.312 -1.025 20 0 CAADLO COCC[NH+]1CC(NC(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001031403173 656369109 /nfs/dbraw/zinc/36/91/09/656369109.db2.gz ZVSVHUDYCURHKM-VIFPVBQESA-N 1 2 277.346 -1.875 20 0 CAADLO COC[C@@H](C)[NH+]1CC(NC(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001031402738 656369137 /nfs/dbraw/zinc/36/91/37/656369137.db2.gz PCKSSTDEKSPSDX-PSASIEDQSA-N 1 2 291.373 -1.487 20 0 CAADLO O=C(NC1C[NH+](CCCF)C1)[C@H]1CCS(=O)(=O)N1 ZINC001031401567 656369141 /nfs/dbraw/zinc/36/91/41/656369141.db2.gz CCKRZIJVJNITKE-SECBINFHSA-N 1 2 279.337 -1.162 20 0 CAADLO CC(=O)N1CCOC[C@H]1C(=O)NC1C[NH+](CCCO)C1 ZINC001031406445 656369161 /nfs/dbraw/zinc/36/91/61/656369161.db2.gz DICDJXGUFFJQON-LBPRGKRZSA-N 1 2 285.344 -1.584 20 0 CAADLO COCC[NH+]1CC(NC(=O)[C@H]2COCCN2C(C)=O)C1 ZINC001031407656 656369217 /nfs/dbraw/zinc/36/92/17/656369217.db2.gz ZXJCFVUVUFKONJ-GFCCVEGCSA-N 1 2 285.344 -1.320 20 0 CAADLO COC[C@H](C)[NH+]1CC(NC(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001031402741 656369253 /nfs/dbraw/zinc/36/92/53/656369253.db2.gz PCKSSTDEKSPSDX-WPRPVWTQSA-N 1 2 291.373 -1.487 20 0 CAADLO CO[C@H](C)C[NH+]1CC(NC(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001031402818 656369269 /nfs/dbraw/zinc/36/92/69/656369269.db2.gz RJLJGRPBPIENKX-PSASIEDQSA-N 1 2 291.373 -1.487 20 0 CAADLO CC(=O)N1CCOC[C@H]1C(=O)NC1C[NH+](C[C@H](C)O)C1 ZINC001031410049 656369626 /nfs/dbraw/zinc/36/96/26/656369626.db2.gz OZOIBZSSPLJWQS-CABZTGNLSA-N 1 2 285.344 -1.585 20 0 CAADLO CC(=O)N1CCOC[C@H]1C(=O)NC1C[NH+](C[C@@H](C)O)C1 ZINC001031410051 656369760 /nfs/dbraw/zinc/36/97/60/656369760.db2.gz OZOIBZSSPLJWQS-SKDRFNHKSA-N 1 2 285.344 -1.585 20 0 CAADLO COC[C@@H](C)[NH+]1CC(NC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001031438619 656370215 /nfs/dbraw/zinc/37/02/15/656370215.db2.gz MOJKIZJTBOOHJA-MRVPVSSYSA-N 1 2 296.331 -1.788 20 0 CAADLO C[C@H](O)C[NH+]1CC(NC(=O)c2cccnc2C(N)=O)C1 ZINC001031424919 656370261 /nfs/dbraw/zinc/37/02/61/656370261.db2.gz IAKUDUGZSUVYTA-QMMMGPOBSA-N 1 2 278.312 -1.025 20 0 CAADLO C[C@@H](O)C[NH+]1CC(NC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001031438476 656370381 /nfs/dbraw/zinc/37/03/81/656370381.db2.gz GJKIFNOGHDATLF-SSDOTTSWSA-N 1 2 282.304 -2.442 20 0 CAADLO NC(=O)Cn1cc(C(=O)NC2C[NH+](CCCO)C2)nn1 ZINC001031438647 656370432 /nfs/dbraw/zinc/37/04/32/656370432.db2.gz NOWWTTGPIVWICW-UHFFFAOYSA-N 1 2 282.304 -2.440 20 0 CAADLO O=C(Cn1cc[nH+]c1)NC1CN(CCN2CCNC2=O)C1 ZINC001031476709 656371470 /nfs/dbraw/zinc/37/14/70/656371470.db2.gz CBBLOAWSWRIYJR-UHFFFAOYSA-N 1 2 292.343 -1.291 20 0 CAADLO Cn1[nH]c(CN2CC(NC(=O)Cn3cc[nH+]c3)C2)nc1=O ZINC001031476215 656371502 /nfs/dbraw/zinc/37/15/02/656371502.db2.gz BFFSJIJMKHBVRV-UHFFFAOYSA-N 1 2 291.315 -1.695 20 0 CAADLO C[C@@H](O)C[NH+]1CC(NC(=O)c2ccc(C(N)=O)cn2)C1 ZINC001031471666 656371648 /nfs/dbraw/zinc/37/16/48/656371648.db2.gz HEGZFNQEWDYONS-MRVPVSSYSA-N 1 2 278.312 -1.025 20 0 CAADLO CNC(=O)[C@@H](C)N1CC(NC(=O)Cn2cc[nH+]c2)C1 ZINC001031476889 656371657 /nfs/dbraw/zinc/37/16/57/656371657.db2.gz KOBXEQSQZPSDQF-SECBINFHSA-N 1 2 265.317 -1.182 20 0 CAADLO Cn1nnnc1CN1CC(NC(=O)Cn2cc[nH+]c2)C1 ZINC001031476416 656371668 /nfs/dbraw/zinc/37/16/68/656371668.db2.gz NTBOVDJTPGRNFL-UHFFFAOYSA-N 1 2 276.304 -1.593 20 0 CAADLO C[C@H](c1nnnn1C)N1CC(NC(=O)Cn2cc[nH+]c2)C1 ZINC001031476377 656371891 /nfs/dbraw/zinc/37/18/91/656371891.db2.gz LCCWOGSMVSOVIS-SECBINFHSA-N 1 2 290.331 -1.032 20 0 CAADLO COCC[NH+]1CC(NC(=O)[C@@H]2CCCN2C(N)=O)C1 ZINC001031482771 656372144 /nfs/dbraw/zinc/37/21/44/656372144.db2.gz FBZWFAILZCJEAR-JTQLQIEISA-N 1 2 270.333 -1.024 20 0 CAADLO C[C@H](O)C[NH+]1CC(NC(=O)c2ccc(C(N)=O)nc2)C1 ZINC001031477862 656372468 /nfs/dbraw/zinc/37/24/68/656372468.db2.gz WOVWRFSEFZQABY-QMMMGPOBSA-N 1 2 278.312 -1.025 20 0 CAADLO NC(=O)N1CCC[C@H]1C(=O)NC1C[NH+](CCCO)C1 ZINC001031483075 656372528 /nfs/dbraw/zinc/37/25/28/656372528.db2.gz QMHHQUCEORZSFY-JTQLQIEISA-N 1 2 270.333 -1.288 20 0 CAADLO COCC[NH+]1CC(NC(=O)C[C@H]2CC(=O)NC2=O)C1 ZINC001031497426 656372723 /nfs/dbraw/zinc/37/27/23/656372723.db2.gz RWHNMJUWJHUKDR-QMMMGPOBSA-N 1 2 269.301 -1.514 20 0 CAADLO O=C(C[C@H]1CC(=O)NC1=O)NC1C[NH+](CCO)C1 ZINC001031497473 656372976 /nfs/dbraw/zinc/37/29/76/656372976.db2.gz SLJLVMUZHDAUDC-ZETCQYMHSA-N 1 2 255.274 -2.168 20 0 CAADLO C[C@H](O)C[NH+]1CC(NC(=O)c2cc(C(N)=O)ccn2)C1 ZINC001031499944 656373066 /nfs/dbraw/zinc/37/30/66/656373066.db2.gz DKKXKTILAQPCKX-QMMMGPOBSA-N 1 2 278.312 -1.025 20 0 CAADLO CC(=O)NCC1C[NH+](CC(=O)N2CCC[C@H](C(N)=O)C2)C1 ZINC001031503737 656373097 /nfs/dbraw/zinc/37/30/97/656373097.db2.gz MCSASMSOLZPSEW-LBPRGKRZSA-N 1 2 296.371 -1.222 20 0 CAADLO C[C@H](C(N)=O)[NH+]1CC(CNC(=O)C2=COCCO2)C1 ZINC001031528101 656373385 /nfs/dbraw/zinc/37/33/85/656373385.db2.gz PZRIOOSIRIREMI-MRVPVSSYSA-N 1 2 269.301 -1.204 20 0 CAADLO CNC(=O)C[NH+]1CC(CNC(=O)[C@@H]2CCCO2)C1 ZINC001031526627 656373479 /nfs/dbraw/zinc/37/34/79/656373479.db2.gz ZLPVTQXLKDCUNF-JTQLQIEISA-N 1 2 255.318 -1.041 20 0 CAADLO NC(=O)C[NH+]1CC(CNC(=O)c2ccc(=O)[nH]n2)C1 ZINC001031532459 656373523 /nfs/dbraw/zinc/37/35/23/656373523.db2.gz XBBGCJJSJQKOBN-UHFFFAOYSA-N 1 2 265.273 -1.671 20 0 CAADLO CNC(=O)C[NH+]1CC(CNC(=O)C2=COCCO2)C1 ZINC001031527571 656373664 /nfs/dbraw/zinc/37/36/64/656373664.db2.gz GNTTVNUDRDKAQW-UHFFFAOYSA-N 1 2 269.301 -1.331 20 0 CAADLO C[C@@H](C(N)=O)[NH+]1CC(CNC(=O)c2cc[n+]([O-])cc2)C1 ZINC001031535958 656373686 /nfs/dbraw/zinc/37/36/86/656373686.db2.gz XHVMOAYOMPLANZ-VIFPVBQESA-N 1 2 278.312 -1.145 20 0 CAADLO CNC(=O)C[NH+]1CC(CNC(=O)c2cc[n+]([O-])cc2)C1 ZINC001031530723 656373733 /nfs/dbraw/zinc/37/37/33/656373733.db2.gz AJWOGOBJVZGNTN-UHFFFAOYSA-N 1 2 278.312 -1.272 20 0 CAADLO NC(=O)C[NH+]1CC(CNC(=O)C2=COCCO2)C1 ZINC001031527372 656373883 /nfs/dbraw/zinc/37/38/83/656373883.db2.gz BSFIGAVOWMQDLZ-UHFFFAOYSA-N 1 2 255.274 -1.592 20 0 CAADLO NC(=O)C[NH+]1CC(CNC(=O)c2cc[n+]([O-])cc2)C1 ZINC001031536646 656373902 /nfs/dbraw/zinc/37/39/02/656373902.db2.gz CCXBHLCEPAFWRY-UHFFFAOYSA-N 1 2 264.285 -1.533 20 0 CAADLO C[C@@H](C(N)=O)[NH+]1CC(CNC(=O)C2=COCCO2)C1 ZINC001031528104 656374022 /nfs/dbraw/zinc/37/40/22/656374022.db2.gz PZRIOOSIRIREMI-QMMMGPOBSA-N 1 2 269.301 -1.204 20 0 CAADLO C[C@@H](C(N)=O)[NH+]1CC(CNC(=O)c2cnn(C)c2)C1 ZINC001031539837 656374311 /nfs/dbraw/zinc/37/43/11/656374311.db2.gz VBXHWWLUMOBSMN-QMMMGPOBSA-N 1 2 265.317 -1.045 20 0 CAADLO O=C(NCC1C[NH+]([C@H]2CCNC2=O)C1)c1cc[n+]([O-])cc1 ZINC001031537213 656374487 /nfs/dbraw/zinc/37/44/87/656374487.db2.gz NSIBJFRXJPXWLG-LBPRGKRZSA-N 1 2 290.323 -1.130 20 0 CAADLO Cn1cc(C(=O)NCC2C[NH+](CC(N)=O)C2)cn1 ZINC001031539771 656374721 /nfs/dbraw/zinc/37/47/21/656374721.db2.gz RVGMAMTXJGLFAG-UHFFFAOYSA-N 1 2 251.290 -1.433 20 0 CAADLO C[C@H](C(N)=O)[NH+]1CC(CNC(=O)c2ccn[nH]2)C1 ZINC001031556869 656374981 /nfs/dbraw/zinc/37/49/81/656374981.db2.gz GJUVLODHTWCXHM-SSDOTTSWSA-N 1 2 251.290 -1.055 20 0 CAADLO CNC(=O)C[NH+]1CC(CNC(=O)c2ccn[nH]2)C1 ZINC001031556194 656375192 /nfs/dbraw/zinc/37/51/92/656375192.db2.gz JXWLTJYCYRWJLZ-UHFFFAOYSA-N 1 2 251.290 -1.183 20 0 CAADLO NC(=O)C(=O)N1CC(NC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000994601807 656375237 /nfs/dbraw/zinc/37/52/37/656375237.db2.gz MPGLOTUEOOOYPE-MRVPVSSYSA-N 1 2 291.311 -1.742 20 0 CAADLO O=C(C[NH+]1CC(CNC(=O)[C@H]2COCCO2)C1)N1CCC1 ZINC001031554585 656375275 /nfs/dbraw/zinc/37/52/75/656375275.db2.gz BNRMGCOCGVCYMR-GFCCVEGCSA-N 1 2 297.355 -1.318 20 0 CAADLO O=C(NCC1C[NH+]([C@H]2CCNC2=O)C1)[C@@H]1COCCO1 ZINC001031556823 656375411 /nfs/dbraw/zinc/37/54/11/656375411.db2.gz FPHOTOFSWULVBP-QWRGUYRKSA-N 1 2 283.328 -1.662 20 0 CAADLO CN(C)C(=O)C[NH+]1CC(CNC(=O)[C@@H]2COCCO2)C1 ZINC001031554375 656375439 /nfs/dbraw/zinc/37/54/39/656375439.db2.gz UIFSTNFZOXABMD-NSHDSACASA-N 1 2 285.344 -1.462 20 0 CAADLO CCO[C@@H]1C[C@@H]1C(=O)NCC1C[NH+](CC(N)=O)C1 ZINC001031564726 656375732 /nfs/dbraw/zinc/37/57/32/656375732.db2.gz FXTPCCJZJXIKGM-VHSXEESVSA-N 1 2 255.318 -1.055 20 0 CAADLO O=C(NCC1C[NH+]([C@H]2CCNC2=O)C1)c1cn[nH]c1 ZINC001031559770 656375792 /nfs/dbraw/zinc/37/57/92/656375792.db2.gz ZDWGOKVQCTYNGW-JTQLQIEISA-N 1 2 263.301 -1.040 20 0 CAADLO O=C(NCC1C[NH+]([C@H]2CCNC2=O)C1)[C@H]1CCOC1 ZINC001031571343 656375827 /nfs/dbraw/zinc/37/58/27/656375827.db2.gz LLWYWSWFHNRAQU-QWRGUYRKSA-N 1 2 267.329 -1.041 20 0 CAADLO CCO[C@H]1C[C@@H]1C(=O)NCC1C[NH+](CC(N)=O)C1 ZINC001031564725 656375868 /nfs/dbraw/zinc/37/58/68/656375868.db2.gz FXTPCCJZJXIKGM-UWVGGRQHSA-N 1 2 255.318 -1.055 20 0 CAADLO CCO[C@H]1C[C@H]1C(=O)NCC1C[NH+](CC(N)=O)C1 ZINC001031564727 656375889 /nfs/dbraw/zinc/37/58/89/656375889.db2.gz FXTPCCJZJXIKGM-ZJUUUORDSA-N 1 2 255.318 -1.055 20 0 CAADLO Cc1ncncc1C(=O)NCC1C[NH+](CC(N)=O)C1 ZINC001031559214 656375926 /nfs/dbraw/zinc/37/59/26/656375926.db2.gz BFOIEMMHAYZRFG-UHFFFAOYSA-N 1 2 263.301 -1.068 20 0 CAADLO Cn1nccc1C(=O)NCC1C[NH+](CC(N)=O)C1 ZINC001031576083 656375932 /nfs/dbraw/zinc/37/59/32/656375932.db2.gz UJNZWTWBLYXMIN-UHFFFAOYSA-N 1 2 251.290 -1.433 20 0 CAADLO CNC(=O)C[NH+]1CC(CNC(=O)[C@H]2CCOC2)C1 ZINC001031569827 656376033 /nfs/dbraw/zinc/37/60/33/656376033.db2.gz ISWYRSNPTSHRAW-JTQLQIEISA-N 1 2 255.318 -1.183 20 0 CAADLO CNC(=O)C[NH+]1CC(CNC(=O)c2cnsn2)C1 ZINC001031562649 656376075 /nfs/dbraw/zinc/37/60/75/656376075.db2.gz MNPKQFJWFIFXLE-UHFFFAOYSA-N 1 2 269.330 -1.054 20 0 CAADLO O=C(NCC1C[NH+]([C@@H]2CCNC2=O)C1)c1cn[nH]c1 ZINC001031559771 656376125 /nfs/dbraw/zinc/37/61/25/656376125.db2.gz ZDWGOKVQCTYNGW-SNVBAGLBSA-N 1 2 263.301 -1.040 20 0 CAADLO Cn1nccc1C(=O)NCC1C[NH+]([C@@H]2CCNC2=O)C1 ZINC001031575917 656376300 /nfs/dbraw/zinc/37/63/00/656376300.db2.gz MTMATNSFPLOEBA-LLVKDONJSA-N 1 2 277.328 -1.030 20 0 CAADLO CNC(=O)C[NH+]1CC(CNC(=O)c2nccnc2N)C1 ZINC001031588419 656376309 /nfs/dbraw/zinc/37/63/09/656376309.db2.gz FCHLNFXNAOHZBK-UHFFFAOYSA-N 1 2 278.316 -1.534 20 0 CAADLO Cc1ncc(C(=O)NCC2C[NH+](CC(N)=O)C2)[nH]1 ZINC001031581612 656376346 /nfs/dbraw/zinc/37/63/46/656376346.db2.gz CJMUATZWLQCCJH-UHFFFAOYSA-N 1 2 251.290 -1.135 20 0 CAADLO COC(=O)[C@@H]1C[C@H]1C(=O)NCC1C[NH+](CC(=O)N(C)C)C1 ZINC001031580708 656376407 /nfs/dbraw/zinc/37/64/07/656376407.db2.gz WPCGMCRNYGXWEQ-GHMZBOCLSA-N 1 2 297.355 -1.068 20 0 CAADLO O=C(C[NH+]1CC(CNC(=O)[C@H]2CCC(=O)N2)C1)N1CCC1 ZINC001031583299 656376467 /nfs/dbraw/zinc/37/64/67/656376467.db2.gz PKISFZFVBKOQRP-LLVKDONJSA-N 1 2 294.355 -1.455 20 0 CAADLO NC(=O)C(=O)N1CC(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000994607315 656376473 /nfs/dbraw/zinc/37/64/73/656376473.db2.gz ADPUWZQBWSGNBX-MRVPVSSYSA-N 1 2 291.311 -1.742 20 0 CAADLO COC(=O)[C@H]1C[C@@H]1C(=O)NCC1C[NH+](CC(N)=O)C1 ZINC001031579556 656376522 /nfs/dbraw/zinc/37/65/22/656376522.db2.gz RDKPEZGLXYAALP-IUCAKERBSA-N 1 2 269.301 -1.671 20 0 CAADLO O=C(C[NH+]1CC(CNC(=O)[C@H]2CCC(=O)N2)C1)NC1CC1 ZINC001031583214 656376539 /nfs/dbraw/zinc/37/65/39/656376539.db2.gz MXBKGSDMQVWGAH-LLVKDONJSA-N 1 2 294.355 -1.408 20 0 CAADLO O=C(NCC1C[NH+]([C@@H]2CCNC2=O)C1)[C@H]1CCC(=O)N1 ZINC001031583311 656376570 /nfs/dbraw/zinc/37/65/70/656376570.db2.gz PZTZWQJCECSRJO-NXEZZACHSA-N 1 2 280.328 -1.799 20 0 CAADLO COC(=O)[C@@H]1C[C@@H]1C(=O)NCC1C[NH+](CC(N)=O)C1 ZINC001031579553 656376651 /nfs/dbraw/zinc/37/66/51/656376651.db2.gz RDKPEZGLXYAALP-DTWKUNHWSA-N 1 2 269.301 -1.671 20 0 CAADLO C[C@H](C(N)=O)[NH+]1CC(CNC(=O)[C@H]2CCC(=O)N2)C1 ZINC001031582843 656376787 /nfs/dbraw/zinc/37/67/87/656376787.db2.gz WWDRNHVROIZUHW-VXNVDRBHSA-N 1 2 268.317 -1.813 20 0 CAADLO CNC(=O)C[NH+]1CC(CNC(=O)[C@@H]2C[C@H]2C(=O)OC)C1 ZINC001031579926 656376819 /nfs/dbraw/zinc/37/68/19/656376819.db2.gz SYCVEDRAWQXMQZ-NXEZZACHSA-N 1 2 283.328 -1.411 20 0 CAADLO CNC(=O)[C@H](C)[NH+]1CC(CNC(=O)c2nccnc2N)C1 ZINC001031589727 656377052 /nfs/dbraw/zinc/37/70/52/656377052.db2.gz GOPNMYODQVJRGG-QMMMGPOBSA-N 1 2 292.343 -1.145 20 0 CAADLO C[C@@H](C(N)=O)[NH+]1CC(CNC(=O)[C@H]2CCNC(=O)C2)C1 ZINC001031611624 656377873 /nfs/dbraw/zinc/37/78/73/656377873.db2.gz SLFIZJQFPWUGCZ-WPRPVWTQSA-N 1 2 282.344 -1.566 20 0 CAADLO NC(=O)C[NH+]1CC(CNC(=O)c2cc[nH]c(=O)c2)C1 ZINC001031612370 656377894 /nfs/dbraw/zinc/37/78/94/656377894.db2.gz PKFYJFMQZSJOLY-UHFFFAOYSA-N 1 2 264.285 -1.066 20 0 CAADLO CN(C)C(=O)C[NH+]1CC(CNC(=O)[C@H]2CCNC(=O)C2)C1 ZINC001031612907 656377965 /nfs/dbraw/zinc/37/79/65/656377965.db2.gz HCFHABHOTGTMMA-NSHDSACASA-N 1 2 296.371 -1.351 20 0 CAADLO CN(C)C(=O)C[NH+]1CC(CNC(=O)[C@@H]2COCCN2C)C1 ZINC001031621438 656378037 /nfs/dbraw/zinc/37/80/37/656378037.db2.gz IXRMFHQDDLHFEH-LBPRGKRZSA-N 1 2 298.387 -1.547 20 0 CAADLO O=C(NCC1C[NH+]([C@H]2CCNC2=O)C1)[C@H]1CCNC(=O)C1 ZINC001031613358 656378052 /nfs/dbraw/zinc/37/80/52/656378052.db2.gz MCQCBIRWUULFRO-QWRGUYRKSA-N 1 2 294.355 -1.551 20 0 CAADLO CNC(=O)C[NH+]1CC(CNC(=O)c2cn(C)cn2)C1 ZINC001031614670 656378183 /nfs/dbraw/zinc/37/81/83/656378183.db2.gz QTDWNYDTQVDTSC-UHFFFAOYSA-N 1 2 265.317 -1.172 20 0 CAADLO CN(C)C(=O)C[NH+]1CC(CNC(=O)[C@H]2COCCN2C)C1 ZINC001031621437 656378193 /nfs/dbraw/zinc/37/81/93/656378193.db2.gz IXRMFHQDDLHFEH-GFCCVEGCSA-N 1 2 298.387 -1.547 20 0 CAADLO NC(=O)C(=O)N1CC(NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC000994621512 656378299 /nfs/dbraw/zinc/37/82/99/656378299.db2.gz CNYPOCYBJMNBOT-MRVPVSSYSA-N 1 2 291.311 -1.742 20 0 CAADLO Cn1cnc(C(=O)NCC2C[NH+]([C@@H]3CCNC3=O)C2)c1 ZINC001031613929 656378387 /nfs/dbraw/zinc/37/83/87/656378387.db2.gz ZKZWOYBVVKXKMU-LLVKDONJSA-N 1 2 277.328 -1.030 20 0 CAADLO CNC(=O)C[NH+]1CC(CNC(=O)[C@H]2CCNC(=O)C2)C1 ZINC001031612805 656378393 /nfs/dbraw/zinc/37/83/93/656378393.db2.gz DPYLMEPLIRXDKE-JTQLQIEISA-N 1 2 282.344 -1.693 20 0 CAADLO Cn1ncc(C(=O)NCC2C[NH+]([C@@H]3CCNC3=O)C2)c1N ZINC001031628892 656378634 /nfs/dbraw/zinc/37/86/34/656378634.db2.gz FWKVZNPAZLPUOR-SNVBAGLBSA-N 1 2 292.343 -1.448 20 0 CAADLO Cc1cc(C(=O)NCC2C[NH+](CC(N)=O)C2)cnn1 ZINC001031635498 656378797 /nfs/dbraw/zinc/37/87/97/656378797.db2.gz VPCHWZHDCKMRIZ-UHFFFAOYSA-N 1 2 263.301 -1.068 20 0 CAADLO CNC(=O)C[NH+]1CC(CNC(=O)C2CN(C(C)=O)C2)C1 ZINC001031630267 656378823 /nfs/dbraw/zinc/37/88/23/656378823.db2.gz DEFWHKIKJUFRRO-UHFFFAOYSA-N 1 2 282.344 -1.741 20 0 CAADLO C[C@@H](C(N)=O)[NH+]1CC(CNC(=O)[C@@H]2COC(=O)N2)C1 ZINC001031643522 656379406 /nfs/dbraw/zinc/37/94/06/656379406.db2.gz UXWKFGNCJNVXCO-XPUUQOCRSA-N 1 2 270.289 -1.983 20 0 CAADLO CNC(=O)C[NH+]1CC(CNC(=O)[C@@H]2COC(=O)N2)C1 ZINC001031646129 656379480 /nfs/dbraw/zinc/37/94/80/656379480.db2.gz YMHIWIQYVQCAET-QMMMGPOBSA-N 1 2 270.289 -2.111 20 0 CAADLO Cn1nncc1C(=O)NCC1C[NH+](CC(=O)N2CCC2)C1 ZINC001031643448 656379538 /nfs/dbraw/zinc/37/95/38/656379538.db2.gz RYWBONIWOCHQMW-UHFFFAOYSA-N 1 2 292.343 -1.291 20 0 CAADLO CN(C)C(=O)C[NH+]1CC(CNC(=O)c2cnnn2C)C1 ZINC001031644457 656379763 /nfs/dbraw/zinc/37/97/63/656379763.db2.gz ZEWDKZAZNXOMOA-UHFFFAOYSA-N 1 2 280.332 -1.435 20 0 CAADLO Cn1nncc1C(=O)NCC1C[NH+](CC(N)=O)C1 ZINC001031644433 656379788 /nfs/dbraw/zinc/37/97/88/656379788.db2.gz XTOAGTPSWDHPTK-UHFFFAOYSA-N 1 2 252.278 -2.038 20 0 CAADLO Cn1nncc1C(=O)NCC1C[NH+]([C@@H]2CCNC2=O)C1 ZINC001031643757 656379794 /nfs/dbraw/zinc/37/97/94/656379794.db2.gz CBZFIXNYXUBARE-SECBINFHSA-N 1 2 278.316 -1.635 20 0 CAADLO CNS(=O)(=O)NCC[N@@H+]1CCC2(C1)OCCO2 ZINC000920093065 656380007 /nfs/dbraw/zinc/38/00/07/656380007.db2.gz LWQPZUXMOOKADP-UHFFFAOYSA-N 1 2 265.335 -1.511 20 0 CAADLO CNS(=O)(=O)NCC[N@H+]1CCC2(C1)OCCO2 ZINC000920093065 656380013 /nfs/dbraw/zinc/38/00/13/656380013.db2.gz LWQPZUXMOOKADP-UHFFFAOYSA-N 1 2 265.335 -1.511 20 0 CAADLO C[C@@H](C(N)=O)[NH+]1CC(CNC(=O)c2ncn(C)n2)C1 ZINC001031649457 656380281 /nfs/dbraw/zinc/38/02/81/656380281.db2.gz BFHTZADOAXIBQT-ZETCQYMHSA-N 1 2 266.305 -1.650 20 0 CAADLO CN(C1CS(=O)(=O)C1)S(=O)(=O)CCn1cc[nH+]c1 ZINC000920166399 656380318 /nfs/dbraw/zinc/38/03/18/656380318.db2.gz NMXMEENESNNQRO-UHFFFAOYSA-N 1 2 293.370 -1.058 20 0 CAADLO O=C(C[NH+]1CC(CNC(=O)[C@H]2COC(=O)N2)C1)N1CCC1 ZINC001031647714 656380324 /nfs/dbraw/zinc/38/03/24/656380324.db2.gz QSLHXRWWTBAVAA-SNVBAGLBSA-N 1 2 296.327 -1.625 20 0 CAADLO Cn1cc(C(=O)NCC2C[NH+]([C@H]3CCNC3=O)C2)nn1 ZINC001031650043 656380341 /nfs/dbraw/zinc/38/03/41/656380341.db2.gz RZZGSWGUNHPDED-JTQLQIEISA-N 1 2 278.316 -1.635 20 0 CAADLO CN(C)C(=O)C[NH+]1CC(CNC(=O)c2cn(C)nn2)C1 ZINC001031649454 656380449 /nfs/dbraw/zinc/38/04/49/656380449.db2.gz BBOBJWHCHWRUKV-UHFFFAOYSA-N 1 2 280.332 -1.435 20 0 CAADLO Cn1cnc(C(=O)NCC2C[NH+](CC(=O)N3CCC3)C2)n1 ZINC001031648091 656380583 /nfs/dbraw/zinc/38/05/83/656380583.db2.gz GEIVUXQFFDCIIJ-UHFFFAOYSA-N 1 2 292.343 -1.291 20 0 CAADLO CN(C)C(=O)C[NH+]1CC(CNC(=O)[C@H]2COC(=O)N2)C1 ZINC001031646935 656380652 /nfs/dbraw/zinc/38/06/52/656380652.db2.gz GIFRRXPAWNKRCQ-SECBINFHSA-N 1 2 284.316 -1.769 20 0 CAADLO Cn1cc(C(=O)NCC2C[NH+](CC(=O)NC3CC3)C2)nn1 ZINC001031649824 656380717 /nfs/dbraw/zinc/38/07/17/656380717.db2.gz MTDUPQVKPYPTET-UHFFFAOYSA-N 1 2 292.343 -1.245 20 0 CAADLO NC(=O)C[NH+]1CC(CNC(=O)[C@H]2COC(=O)N2)C1 ZINC001031646374 656380727 /nfs/dbraw/zinc/38/07/27/656380727.db2.gz APQZMBDLDIVOQW-SSDOTTSWSA-N 1 2 256.262 -2.372 20 0 CAADLO CCn1nncc1C(=O)NCC1C[NH+]([C@@H](C)C(N)=O)C1 ZINC001031654619 656381112 /nfs/dbraw/zinc/38/11/12/656381112.db2.gz BDASIDPIYOJJFK-QMMMGPOBSA-N 1 2 280.332 -1.167 20 0 CAADLO C[C@H](C(N)=O)[NH+]1CC(CNC(=O)c2ncc[nH]2)C1 ZINC001031656526 656381261 /nfs/dbraw/zinc/38/12/61/656381261.db2.gz DSGVERRNHVMGMG-SSDOTTSWSA-N 1 2 251.290 -1.055 20 0 CAADLO CCn1ncc(C(=O)NCC2C[NH+]([C@@H]3CCNC3=O)C2)n1 ZINC001031654577 656381296 /nfs/dbraw/zinc/38/12/96/656381296.db2.gz ZRIHZEYOILUELS-LLVKDONJSA-N 1 2 292.343 -1.152 20 0 CAADLO CCn1nncc1C(=O)NCC1C[NH+]([C@H](C)C(N)=O)C1 ZINC001031654618 656381430 /nfs/dbraw/zinc/38/14/30/656381430.db2.gz BDASIDPIYOJJFK-MRVPVSSYSA-N 1 2 280.332 -1.167 20 0 CAADLO C[C@H](C(N)=O)[NH+]1CC(CNC(=O)c2cn(C)nn2)C1 ZINC001031651370 656381465 /nfs/dbraw/zinc/38/14/65/656381465.db2.gz PNVXIBSHMQYETE-SSDOTTSWSA-N 1 2 266.305 -1.650 20 0 CAADLO CCn1nncc1C(=O)NCC1C[NH+]([C@H]2CCNC2=O)C1 ZINC001031655080 656381571 /nfs/dbraw/zinc/38/15/71/656381571.db2.gz TXYRKUSAIFZTTL-JTQLQIEISA-N 1 2 292.343 -1.152 20 0 CAADLO Cc1cn(C)nc1C(=O)NCC1C[NH+](CC(N)=O)C1 ZINC001031660726 656381605 /nfs/dbraw/zinc/38/16/05/656381605.db2.gz QAYCAOXWMDWOMS-UHFFFAOYSA-N 1 2 265.317 -1.125 20 0 CAADLO CCn1ncc(C(=O)NCC2C[NH+]([C@H]3CCNC3=O)C2)n1 ZINC001031654578 656381616 /nfs/dbraw/zinc/38/16/16/656381616.db2.gz ZRIHZEYOILUELS-NSHDSACASA-N 1 2 292.343 -1.152 20 0 CAADLO C[C@@H](C(N)=O)[NH+]1CC(CNC(=O)c2ncc[nH]2)C1 ZINC001031656527 656381711 /nfs/dbraw/zinc/38/17/11/656381711.db2.gz DSGVERRNHVMGMG-ZETCQYMHSA-N 1 2 251.290 -1.055 20 0 CAADLO Cc1ccc(C(=O)NCC2C[NH+](CC(N)=O)C2)nn1 ZINC001031659123 656381728 /nfs/dbraw/zinc/38/17/28/656381728.db2.gz NSMDKPGRZXZUDW-UHFFFAOYSA-N 1 2 263.301 -1.068 20 0 CAADLO C[C@H](C(N)=O)[NH+]1CC(CNC(=O)[C@]23C[C@H]2COC3)C1 ZINC001031685931 656383053 /nfs/dbraw/zinc/38/30/53/656383053.db2.gz IGQJJXXIZUQQQD-DVYJOKAKSA-N 1 2 267.329 -1.055 20 0 CAADLO C[C@H](O)C[NH+]1CC(CNC(=O)C2CS(=O)(=O)C2)C1 ZINC001031695351 656383101 /nfs/dbraw/zinc/38/31/01/656383101.db2.gz APPXVXMALGGRRG-QMMMGPOBSA-N 1 2 276.358 -1.540 20 0 CAADLO O=C(NCCO[C@H]1CCOC1)C(=O)NCCn1cc[nH+]c1 ZINC000929203947 656383237 /nfs/dbraw/zinc/38/32/37/656383237.db2.gz XRKVVSQJHQDSKW-NSHDSACASA-N 1 2 296.327 -1.079 20 0 CAADLO CCN1C[C@H](C(=O)NCC2C[NH+](CC(=O)NC)C2)CC1=O ZINC001031708611 656383583 /nfs/dbraw/zinc/38/35/83/656383583.db2.gz FEXXPCZUGRHCMK-LLVKDONJSA-N 1 2 296.371 -1.351 20 0 CAADLO C[N@@H+]1CC[C@@H]1CNS(=O)(=O)[C@@H]1COC[C@H]1O ZINC000921412706 656384063 /nfs/dbraw/zinc/38/40/63/656384063.db2.gz TZMWMDMGRMEPEL-IWSPIJDZSA-N 1 2 250.320 -1.630 20 0 CAADLO C[N@H+]1CC[C@@H]1CNS(=O)(=O)[C@@H]1COC[C@H]1O ZINC000921412706 656384068 /nfs/dbraw/zinc/38/40/68/656384068.db2.gz TZMWMDMGRMEPEL-IWSPIJDZSA-N 1 2 250.320 -1.630 20 0 CAADLO NC(=O)C[NH+]1CC(CNC(=O)c2cnn3c2CCC3)C1 ZINC001031717262 656384433 /nfs/dbraw/zinc/38/44/33/656384433.db2.gz JQTZILHNPXILDH-UHFFFAOYSA-N 1 2 277.328 -1.024 20 0 CAADLO CC(C)N1C[C@@H](C(=O)NCC2C[NH+](CC(N)=O)C2)CC1=O ZINC001031710324 656384570 /nfs/dbraw/zinc/38/45/70/656384570.db2.gz IPAPQUZBHHYPBI-NSHDSACASA-N 1 2 296.371 -1.223 20 0 CAADLO COc1nc(C)ncc1C(=O)NCC1C[NH+](CC(N)=O)C1 ZINC001031716793 656384632 /nfs/dbraw/zinc/38/46/32/656384632.db2.gz RAJGSXPGIUGORF-UHFFFAOYSA-N 1 2 293.327 -1.059 20 0 CAADLO CNC(=O)C[NH+]1CC(CNC(=O)[C@@H]2CC(=O)N(C)C2)C1 ZINC001031709486 656384827 /nfs/dbraw/zinc/38/48/27/656384827.db2.gz OYKICUYCLFKLBY-SNVBAGLBSA-N 1 2 282.344 -1.741 20 0 CAADLO C[C@@H](C(N)=O)[NH+]1CC(CNC(=O)[C@H]2CC(=O)N(C)C2)C1 ZINC001031712423 656384896 /nfs/dbraw/zinc/38/48/96/656384896.db2.gz YVIROGPAUISROM-WPRPVWTQSA-N 1 2 282.344 -1.614 20 0 CAADLO CN1C[C@H](C(=O)NCC2C[NH+](CC(N)=O)C2)CC1=O ZINC001031712317 656384977 /nfs/dbraw/zinc/38/49/77/656384977.db2.gz VZBOLTKCAUWLNM-SECBINFHSA-N 1 2 268.317 -2.002 20 0 CAADLO CN(C)C(=O)C[NH+]1CC(CNC(=O)[C@H]2CC(=O)N(C)C2)C1 ZINC001031711585 656385033 /nfs/dbraw/zinc/38/50/33/656385033.db2.gz IPSYXRJKPLARQP-NSHDSACASA-N 1 2 296.371 -1.399 20 0 CAADLO CN1C[C@H](C(=O)NCC2C[NH+]([C@@H]3CCNC3=O)C2)CC1=O ZINC001031712136 656385055 /nfs/dbraw/zinc/38/50/55/656385055.db2.gz QFHXWDZYAIDRJU-GHMZBOCLSA-N 1 2 294.355 -1.599 20 0 CAADLO C[C@H](C(N)=O)[NH+]1CC(CNC(=O)[C@@H]2CC(=O)N(C)C2)C1 ZINC001031712420 656385068 /nfs/dbraw/zinc/38/50/68/656385068.db2.gz YVIROGPAUISROM-PSASIEDQSA-N 1 2 282.344 -1.614 20 0 CAADLO CC[C@@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)c2cnn(C)n2)C1 ZINC001015843375 656385326 /nfs/dbraw/zinc/38/53/26/656385326.db2.gz YYGVCURMRCSCCT-SCZZXKLOSA-N 1 2 280.332 -1.117 20 0 CAADLO CC[C@@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)c2cnn(C)n2)C1 ZINC001015843375 656385328 /nfs/dbraw/zinc/38/53/28/656385328.db2.gz YYGVCURMRCSCCT-SCZZXKLOSA-N 1 2 280.332 -1.117 20 0 CAADLO CC[C@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)c2cnn(C)n2)C1 ZINC001015843378 656385412 /nfs/dbraw/zinc/38/54/12/656385412.db2.gz YYGVCURMRCSCCT-WCBMZHEXSA-N 1 2 280.332 -1.117 20 0 CAADLO CC[C@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)c2cnn(C)n2)C1 ZINC001015843378 656385416 /nfs/dbraw/zinc/38/54/16/656385416.db2.gz YYGVCURMRCSCCT-WCBMZHEXSA-N 1 2 280.332 -1.117 20 0 CAADLO CC[C@@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)c2cnn(C)n2)C1 ZINC001015843379 656385716 /nfs/dbraw/zinc/38/57/16/656385716.db2.gz YYGVCURMRCSCCT-WPRPVWTQSA-N 1 2 280.332 -1.117 20 0 CAADLO CC[C@@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)c2cnn(C)n2)C1 ZINC001015843379 656385720 /nfs/dbraw/zinc/38/57/20/656385720.db2.gz YYGVCURMRCSCCT-WPRPVWTQSA-N 1 2 280.332 -1.117 20 0 CAADLO O=C(NCC1C[NH+](CCO)C1)[C@@H]1CCCCS1(=O)=O ZINC001031728115 656385735 /nfs/dbraw/zinc/38/57/35/656385735.db2.gz HPRJSYNMXBCMGM-NSHDSACASA-N 1 2 290.385 -1.006 20 0 CAADLO Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CCN(C(=O)CC(N)=O)C1 ZINC000938387544 656385774 /nfs/dbraw/zinc/38/57/74/656385774.db2.gz SBKRTDGVWBVMGB-VIFPVBQESA-N 1 2 293.327 -1.147 20 0 CAADLO Cn1c[nH+]cc1CC(=O)N[C@H]1CCN(C(=O)CC(N)=O)C1 ZINC000938321801 656385788 /nfs/dbraw/zinc/38/57/88/656385788.db2.gz LYANTWOFIRJLHZ-VIFPVBQESA-N 1 2 293.327 -1.445 20 0 CAADLO CNC(=O)C[NH+]1CC(CNC(=O)c2cc3n(n2)CCO3)C1 ZINC001031734260 656386984 /nfs/dbraw/zinc/38/69/84/656386984.db2.gz HJFIHKNOAFYJEA-UHFFFAOYSA-N 1 2 293.327 -1.317 20 0 CAADLO NC(=O)C[NH+]1CC(CNC(=O)c2cnn3ncccc23)C1 ZINC001031737151 656387073 /nfs/dbraw/zinc/38/70/73/656387073.db2.gz YPHRYWWMIKDBSW-UHFFFAOYSA-N 1 2 288.311 -1.124 20 0 CAADLO C[C@H](C(N)=O)[NH+]1CC(CNC(=O)c2cc3n(n2)CCO3)C1 ZINC001031734139 656387211 /nfs/dbraw/zinc/38/72/11/656387211.db2.gz DRHCBYRXQVGDRW-MRVPVSSYSA-N 1 2 293.327 -1.189 20 0 CAADLO Cn1cc[nH+]c1CCC(=O)N1CC[C@H](NC(=O)C(N)=O)C1 ZINC000938580861 656388103 /nfs/dbraw/zinc/38/81/03/656388103.db2.gz TUCXZAUERIVKQK-VIFPVBQESA-N 1 2 293.327 -1.445 20 0 CAADLO C[C@H](C(N)=O)[NH+]1CC(CNC(=O)[C@H]2OCCO[C@H]2C)C1 ZINC001031741263 656389052 /nfs/dbraw/zinc/38/90/52/656389052.db2.gz PBKSOPOXFAWYGZ-YWVKMMECSA-N 1 2 285.344 -1.288 20 0 CAADLO CNC(=O)C[NH+]1CC(CNC(=O)c2cc(=O)n(C)cn2)C1 ZINC001031740945 656389086 /nfs/dbraw/zinc/38/90/86/656389086.db2.gz KKXOWNQNJGTREQ-UHFFFAOYSA-N 1 2 293.327 -1.812 20 0 CAADLO NC(=O)C(=O)N[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000938587977 656389367 /nfs/dbraw/zinc/38/93/67/656389367.db2.gz IMEMYRJBXIXTBF-ZETCQYMHSA-N 1 2 265.273 -1.845 20 0 CAADLO C[C@@H](C(N)=O)[NH+]1CC(CNC(=O)[C@H]2OCCO[C@H]2C)C1 ZINC001031741262 656389374 /nfs/dbraw/zinc/38/93/74/656389374.db2.gz PBKSOPOXFAWYGZ-QXEWZRGKSA-N 1 2 285.344 -1.288 20 0 CAADLO CNC(=O)C[NH+]1CC(CNC(=O)[C@@H]2CCCNC2=O)C1 ZINC001031743931 656389682 /nfs/dbraw/zinc/38/96/82/656389682.db2.gz BREXXQJUNYVVRB-SNVBAGLBSA-N 1 2 282.344 -1.693 20 0 CAADLO C[C@@H](C(N)=O)[NH+]1CC(CNC(=O)c2cn[nH]c(=O)c2)C1 ZINC001031751004 656390142 /nfs/dbraw/zinc/39/01/42/656390142.db2.gz MSURGRXGZJBRFQ-ZETCQYMHSA-N 1 2 279.300 -1.282 20 0 CAADLO C[C@H](C(N)=O)[NH+]1CC(CNC(=O)c2cn[nH]c(=O)c2)C1 ZINC001031751003 656390184 /nfs/dbraw/zinc/39/01/84/656390184.db2.gz MSURGRXGZJBRFQ-SSDOTTSWSA-N 1 2 279.300 -1.282 20 0 CAADLO O=C(NCC1C[NH+]([C@@H]2CCNC2=O)C1)[C@@H]1CCCNC1=O ZINC001031749680 656390282 /nfs/dbraw/zinc/39/02/82/656390282.db2.gz ZZSVZCZTSIZCDW-GHMZBOCLSA-N 1 2 294.355 -1.551 20 0 CAADLO CN(C)C(=O)C[NH+]1CC(CNC(=O)[C@H]2CCCNC2=O)C1 ZINC001031749165 656390325 /nfs/dbraw/zinc/39/03/25/656390325.db2.gz QFFMAYPJAZNDRL-NSHDSACASA-N 1 2 296.371 -1.351 20 0 CAADLO NC(=O)C[NH+]1CC(CNC(=O)[C@@H]2CCCNC2=O)C1 ZINC001031748945 656390515 /nfs/dbraw/zinc/39/05/15/656390515.db2.gz LJBMDHLHCFIMKD-SECBINFHSA-N 1 2 268.317 -1.954 20 0 CAADLO O=C(NCC1C[NH+]([C@H]2CCNC2=O)C1)[C@H]1CCCNC1=O ZINC001031749688 656390625 /nfs/dbraw/zinc/39/06/25/656390625.db2.gz ZZSVZCZTSIZCDW-QWRGUYRKSA-N 1 2 294.355 -1.551 20 0 CAADLO Cc1ncn(C)c1C(=O)NCC1C[NH+](CC(N)=O)C1 ZINC001031747285 656390710 /nfs/dbraw/zinc/39/07/10/656390710.db2.gz HGWVXYQAEIORCP-UHFFFAOYSA-N 1 2 265.317 -1.125 20 0 CAADLO CNC(=O)C[NH+]1CC(CNC(=O)c2[nH]c(=O)[nH]c2C)C1 ZINC001031749511 656390861 /nfs/dbraw/zinc/39/08/61/656390861.db2.gz IRBSFWICQJBVAI-UHFFFAOYSA-N 1 2 281.316 -1.169 20 0 CAADLO NC(=O)C[NH+]1CC(CNC(=O)c2cn3c(n2)COCC3)C1 ZINC001031768125 656391476 /nfs/dbraw/zinc/39/14/76/656391476.db2.gz WTLDNMPRQUXVST-UHFFFAOYSA-N 1 2 293.327 -1.440 20 0 CAADLO Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H](N(C)C(=O)C(N)=O)C1 ZINC000938983694 656391767 /nfs/dbraw/zinc/39/17/67/656391767.db2.gz ICCXEBNFUFMLEO-SECBINFHSA-N 1 2 293.327 -1.195 20 0 CAADLO NC(=O)C(=O)N1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC000938990281 656391824 /nfs/dbraw/zinc/39/18/24/656391824.db2.gz XAZWRICQTGJVBA-ZETCQYMHSA-N 1 2 265.273 -1.845 20 0 CAADLO CCN1CCOC[C@@H]1C(=O)NCC1C[NH+]([C@@H](C)C(N)=O)C1 ZINC001031794776 656391923 /nfs/dbraw/zinc/39/19/23/656391923.db2.gz MLPAAVCDCOAQPD-CMPLNLGQSA-N 1 2 298.387 -1.371 20 0 CAADLO CCN1CCOC[C@H]1C(=O)NCC1C[NH+]([C@H](C)C(N)=O)C1 ZINC001031794778 656392278 /nfs/dbraw/zinc/39/22/78/656392278.db2.gz MLPAAVCDCOAQPD-PWSUYJOCSA-N 1 2 298.387 -1.371 20 0 CAADLO CNC(=O)C[NH+]1CC(CNC(=O)c2ccn(C)c(=O)c2)C1 ZINC001031775462 656392288 /nfs/dbraw/zinc/39/22/88/656392288.db2.gz FNXYKGLLSVPSOS-UHFFFAOYSA-N 1 2 292.339 -1.207 20 0 CAADLO C[C@@H]1C[C@@H](C(=O)NCC2C[NH+](CC(N)=O)C2)CO1 ZINC001031790116 656392373 /nfs/dbraw/zinc/39/23/73/656392373.db2.gz RIKVFCZUDNCYSU-PSASIEDQSA-N 1 2 255.318 -1.055 20 0 CAADLO NC(=O)CN1CC(CNC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001031783115 656392383 /nfs/dbraw/zinc/39/23/83/656392383.db2.gz AVJZXBICIMOJEB-NSHDSACASA-N 1 2 291.355 -1.021 20 0 CAADLO Cn1ccc(C(=O)NCC2C[NH+](CC(N)=O)C2)cc1=O ZINC001031777862 656392526 /nfs/dbraw/zinc/39/25/26/656392526.db2.gz CTOWKHVQVZGBPT-UHFFFAOYSA-N 1 2 278.312 -1.468 20 0 CAADLO C[C@H](C(N)=O)[NH+]1CC(CNC(=O)[C@@H]2CCN(C)C(=O)C2)C1 ZINC001031778363 656392629 /nfs/dbraw/zinc/39/26/29/656392629.db2.gz WVWWWEKHJKDMQA-MWLCHTKSSA-N 1 2 296.371 -1.223 20 0 CAADLO O=C(Cn1cc[nH+]c1)NC1CN(C(=O)Cn2ncnn2)C1 ZINC000994919424 656392788 /nfs/dbraw/zinc/39/27/88/656392788.db2.gz BIHPQZFZCANEJD-UHFFFAOYSA-N 1 2 290.287 -2.103 20 0 CAADLO CNC(=O)C[NH+]1CC(CNC(=O)[C@H]2CC(=O)N[C@H](C)C2)C1 ZINC001031802545 656392881 /nfs/dbraw/zinc/39/28/81/656392881.db2.gz PKMZRZPUMLNDON-MWLCHTKSSA-N 1 2 296.371 -1.305 20 0 CAADLO O=C(Cn1cc[nH+]c1)NC1CN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC000994921258 656392891 /nfs/dbraw/zinc/39/28/91/656392891.db2.gz RYJLMARZAXQHNG-VIFPVBQESA-N 1 2 292.299 -2.109 20 0 CAADLO O=C(Cn1cc[nH+]c1)NC1CN(C(=O)[C@@H]2COCCO2)C1 ZINC000994912281 656392914 /nfs/dbraw/zinc/39/29/14/656392914.db2.gz UJUCBAKZSQKXMN-NSHDSACASA-N 1 2 294.311 -1.375 20 0 CAADLO O=C(Cn1cc[nH+]c1)NC1CN(C(=O)[C@H]2CCC(=O)N2)C1 ZINC000994912253 656393046 /nfs/dbraw/zinc/39/30/46/656393046.db2.gz SWNZGYGHNRCKAW-SNVBAGLBSA-N 1 2 291.311 -1.511 20 0 CAADLO O=C(Cn1cc[nH+]c1)NC1CN(C(=O)Cn2nccn2)C1 ZINC000994919439 656393188 /nfs/dbraw/zinc/39/31/88/656393188.db2.gz CFZWGJABDGFABT-UHFFFAOYSA-N 1 2 289.299 -1.498 20 0 CAADLO C[C@@H]1C[C@@H](C(=O)NCC2C[NH+](CC(N)=O)C2)CC(=O)N1 ZINC001031803097 656393217 /nfs/dbraw/zinc/39/32/17/656393217.db2.gz WJTCGKBBYVIAAY-PSASIEDQSA-N 1 2 282.344 -1.566 20 0 CAADLO O=C(NCC1C[NH+]([C@H]2CCNC2=O)C1)[C@H]1CCC(=O)NC1 ZINC001031804739 656393293 /nfs/dbraw/zinc/39/32/93/656393293.db2.gz KIVJHOQSTSYHDK-QWRGUYRKSA-N 1 2 294.355 -1.551 20 0 CAADLO CNC(=O)C[NH+]1CC(CNC(=O)[C@H]2CC(=O)N[C@@H](C)C2)C1 ZINC001031802543 656393311 /nfs/dbraw/zinc/39/33/11/656393311.db2.gz PKMZRZPUMLNDON-GXSJLCMTSA-N 1 2 296.371 -1.305 20 0 CAADLO NC(=O)C[NH+]1CC(CNC(=O)[C@@H]2CCC(=O)NC2)C1 ZINC001031805363 656393397 /nfs/dbraw/zinc/39/33/97/656393397.db2.gz XFCSOUIMFNDHHI-SECBINFHSA-N 1 2 268.317 -1.954 20 0 CAADLO O=C(Cn1cc[nH+]c1)NC1CN(C(=O)[C@@H]2COC(=O)N2)C1 ZINC000994911390 656393404 /nfs/dbraw/zinc/39/34/04/656393404.db2.gz JHRDPWCBDXONOF-VIFPVBQESA-N 1 2 293.283 -1.682 20 0 CAADLO NC(=O)C1(C(=O)N2CC(NC(=O)Cn3cc[nH+]c3)C2)CC1 ZINC000994921413 656393429 /nfs/dbraw/zinc/39/34/29/656393429.db2.gz UZFLNBNQOZWEDO-UHFFFAOYSA-N 1 2 291.311 -1.524 20 0 CAADLO NC(=O)C[NH+]1CC(CNC(=O)[C@H]2CCC(=O)NC2)C1 ZINC001031805364 656393482 /nfs/dbraw/zinc/39/34/82/656393482.db2.gz XFCSOUIMFNDHHI-VIFPVBQESA-N 1 2 268.317 -1.954 20 0 CAADLO O=C(Cn1cc[nH+]c1)NC1CN(C(=O)Cn2cnnn2)C1 ZINC000994912170 656393505 /nfs/dbraw/zinc/39/35/05/656393505.db2.gz PLGZBBBKJJSQRT-UHFFFAOYSA-N 1 2 290.287 -2.103 20 0 CAADLO O=C(NCC1C[NH+](CCN2CCNC2=O)C1)c1cn[nH]n1 ZINC001031808268 656393707 /nfs/dbraw/zinc/39/37/07/656393707.db2.gz ZECIZIJBMQLTPM-UHFFFAOYSA-N 1 2 293.331 -1.509 20 0 CAADLO O=C(NCC1C[NH+](CCN2CCNC2=O)C1)c1cnn[nH]1 ZINC001031808268 656393708 /nfs/dbraw/zinc/39/37/08/656393708.db2.gz ZECIZIJBMQLTPM-UHFFFAOYSA-N 1 2 293.331 -1.509 20 0 CAADLO O=C(NCC1C[NH+](CCn2cncn2)C1)c1cn[nH]n1 ZINC001031808982 656393822 /nfs/dbraw/zinc/39/38/22/656393822.db2.gz FMPBIFBSGXZOIE-UHFFFAOYSA-N 1 2 276.304 -1.242 20 0 CAADLO O=C(NCC1C[NH+](CCn2cncn2)C1)c1cnn[nH]1 ZINC001031808982 656393826 /nfs/dbraw/zinc/39/38/26/656393826.db2.gz FMPBIFBSGXZOIE-UHFFFAOYSA-N 1 2 276.304 -1.242 20 0 CAADLO C[C@H](C(N)=O)[NH+]1CC(CNC(=O)c2ccc(=O)n(C)c2)C1 ZINC001031810939 656394084 /nfs/dbraw/zinc/39/40/84/656394084.db2.gz UESYYGXOHYIXCZ-SECBINFHSA-N 1 2 292.339 -1.079 20 0 CAADLO C[C@@H](C(N)=O)[NH+]1CC(CNC(=O)c2ccc(=O)n(C)c2)C1 ZINC001031810940 656394234 /nfs/dbraw/zinc/39/42/34/656394234.db2.gz UESYYGXOHYIXCZ-VIFPVBQESA-N 1 2 292.339 -1.079 20 0 CAADLO Cc1nnccc1C(=O)NCC1C[NH+](CC(N)=O)C1 ZINC001031817224 656394759 /nfs/dbraw/zinc/39/47/59/656394759.db2.gz UYWZHFICZZPKNF-UHFFFAOYSA-N 1 2 263.301 -1.068 20 0 CAADLO Cn1cncc1C(=O)NCC1C[NH+]([C@@H]2CCNC2=O)C1 ZINC001031818847 656395940 /nfs/dbraw/zinc/39/59/40/656395940.db2.gz DYJMOWHJGXLQQT-SNVBAGLBSA-N 1 2 277.328 -1.030 20 0 CAADLO C[C@@H](O)C[NH+]1CC(CNC(=O)[C@@H]2CCS(=O)(=O)C2)C1 ZINC001031825959 656396027 /nfs/dbraw/zinc/39/60/27/656396027.db2.gz ZKUHYILCEQHLHH-MWLCHTKSSA-N 1 2 290.385 -1.150 20 0 CAADLO C[C@@H]1CN(C(=O)Cc2ncn[nH]2)C[C@H]1[NH2+]CC(N)=O ZINC000939500714 656396146 /nfs/dbraw/zinc/39/61/46/656396146.db2.gz TZNDZCCJGOZXKZ-HTQZYQBOSA-N 1 2 266.305 -1.731 20 0 CAADLO O=C(NCC1C[NH+](CCCO)C1)[C@H]1CCS(=O)(=O)C1 ZINC001031823917 656396234 /nfs/dbraw/zinc/39/62/34/656396234.db2.gz SDGTVOLQCTVAPS-NSHDSACASA-N 1 2 290.385 -1.149 20 0 CAADLO CNC(=O)C[NH+]1CC(CNC(=O)c2cncn2C)C1 ZINC001031819052 656396341 /nfs/dbraw/zinc/39/63/41/656396341.db2.gz JLLKOLPSPZKCGA-UHFFFAOYSA-N 1 2 265.317 -1.172 20 0 CAADLO CC(=O)N1CCC[C@H](C(=O)NCC2C[NH+](CC(N)=O)C2)C1 ZINC001031827488 656396359 /nfs/dbraw/zinc/39/63/59/656396359.db2.gz IXHGRMSGHUMWDB-LBPRGKRZSA-N 1 2 296.371 -1.222 20 0 CAADLO C[C@@H]1CN(C(=O)C(N)=O)C[C@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC000939514890 656396550 /nfs/dbraw/zinc/39/65/50/656396550.db2.gz XEJRWWXPUHNRGA-HTQZYQBOSA-N 1 2 279.300 -1.599 20 0 CAADLO CNC(=O)C[NH+]1CC(CNC(=O)c2ccc(C(N)=O)o2)C1 ZINC001031831513 656396992 /nfs/dbraw/zinc/39/69/92/656396992.db2.gz LQGMHFJGXOWHBW-UHFFFAOYSA-N 1 2 294.311 -1.214 20 0 CAADLO CNC(=O)C[NH+]1CC(CNC(=O)c2cc(OC)n(C)n2)C1 ZINC001031834413 656397343 /nfs/dbraw/zinc/39/73/43/656397343.db2.gz FMWFPBUPAPCJDR-UHFFFAOYSA-N 1 2 295.343 -1.164 20 0 CAADLO C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1NC(=O)C(N)=O ZINC000939691161 656398714 /nfs/dbraw/zinc/39/87/14/656398714.db2.gz FZFPDGAIRQUXTC-NXEZZACHSA-N 1 2 293.327 -1.278 20 0 CAADLO Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](C)[C@H](NC(=O)C(N)=O)C1 ZINC000939693033 656399069 /nfs/dbraw/zinc/39/90/69/656399069.db2.gz XSLPADJBCHONHB-GMSGAONNSA-N 1 2 293.327 -1.291 20 0 CAADLO CNC(=O)C[NH+]1CC(CNC(=O)c2cn(C)c(=O)cn2)C1 ZINC001031862929 656400240 /nfs/dbraw/zinc/40/02/40/656400240.db2.gz UMFQDNYEYSHDGB-UHFFFAOYSA-N 1 2 293.327 -1.812 20 0 CAADLO CC[C@H]1C[C@H](C(=O)NCC2C[NH+](CC(N)=O)C2)CC(=O)N1 ZINC001031874849 656401080 /nfs/dbraw/zinc/40/10/80/656401080.db2.gz YWQHFGKEANFEIP-QWRGUYRKSA-N 1 2 296.371 -1.176 20 0 CAADLO Cc1n[nH]cc1C(=O)NCC1C[NH+](CC(N)=O)C1 ZINC001031888940 656402375 /nfs/dbraw/zinc/40/23/75/656402375.db2.gz PUQWQLLYDJTBKJ-UHFFFAOYSA-N 1 2 251.290 -1.135 20 0 CAADLO Cn1c(=O)[nH]cc(C(=O)NCC2C[NH+](CC(N)=O)C2)c1=O ZINC001031895144 656402494 /nfs/dbraw/zinc/40/24/94/656402494.db2.gz OVALLDBWBPRFCJ-UHFFFAOYSA-N 1 2 295.299 -2.367 20 0 CAADLO COc1nn(C)cc1C(=O)NCC1C[NH+]([C@H](C)C(N)=O)C1 ZINC001031893311 656402582 /nfs/dbraw/zinc/40/25/82/656402582.db2.gz QCYZSFVJBPAXPA-MRVPVSSYSA-N 1 2 295.343 -1.036 20 0 CAADLO NC(=O)CC(=O)N1CCCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC000940561632 656402867 /nfs/dbraw/zinc/40/28/67/656402867.db2.gz ZALUNNSVSPAGDA-UHFFFAOYSA-N 1 2 293.327 -1.181 20 0 CAADLO C[C@@H](C(N)=O)[NH+]1CC(CNC(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC001031897310 656402993 /nfs/dbraw/zinc/40/29/93/656402993.db2.gz PMLABMIDLFROTC-IONNQARKSA-N 1 2 283.332 -2.068 20 0 CAADLO CNC(=O)C[NH+]1CC(CNC(=O)c2cn(C)nc2OC)C1 ZINC001031895485 656403027 /nfs/dbraw/zinc/40/30/27/656403027.db2.gz DPMXDFMPFPCXKM-UHFFFAOYSA-N 1 2 295.343 -1.164 20 0 CAADLO C[C@H](C(N)=O)[NH+]1CC(CNC(=O)c2c[nH]c(=O)n2C)C1 ZINC001031898403 656403047 /nfs/dbraw/zinc/40/30/47/656403047.db2.gz IWGCQEYOEROKQH-SSDOTTSWSA-N 1 2 281.316 -1.339 20 0 CAADLO NC(=O)C[NH+]1CC(CNC(=O)[C@H]2CC[C@H]2C(N)=O)C1 ZINC001031899084 656403181 /nfs/dbraw/zinc/40/31/81/656403181.db2.gz NMGPJGSGXUKGNM-BDAKNGLRSA-N 1 2 268.317 -1.969 20 0 CAADLO CNC(=O)C[NH+]1CC(CNC(=O)[C@@H]2CC[C@H]2C(N)=O)C1 ZINC001031896509 656403340 /nfs/dbraw/zinc/40/33/40/656403340.db2.gz HJPKDLCSZORWHD-NXEZZACHSA-N 1 2 282.344 -1.708 20 0 CAADLO CNC(=O)C[NH+]1CC(CNC(=O)[C@H]2CC[C@@H]2C(N)=O)C1 ZINC001031896510 656403375 /nfs/dbraw/zinc/40/33/75/656403375.db2.gz HJPKDLCSZORWHD-UWVGGRQHSA-N 1 2 282.344 -1.708 20 0 CAADLO O=C(NCC1C[NH+]([C@@H]2CCNC2=O)C1)[C@H]1CCNC1=O ZINC001031900487 656403535 /nfs/dbraw/zinc/40/35/35/656403535.db2.gz ULMYKNKEWZJVGS-VHSXEESVSA-N 1 2 280.328 -1.941 20 0 CAADLO NC(=O)C[NH+]1CC(CNC(=O)[C@@H]2CCNC2=O)C1 ZINC001031899785 656403580 /nfs/dbraw/zinc/40/35/80/656403580.db2.gz GGVHGSQSYINXRU-MRVPVSSYSA-N 1 2 254.290 -2.344 20 0 CAADLO CN1C[C@@H](C(=O)NCC2C[NH+]([C@@H]3CCNC3=O)C2)NC1=O ZINC001031902407 656403602 /nfs/dbraw/zinc/40/36/02/656403602.db2.gz MDMQGMOGZJSMCO-VHSXEESVSA-N 1 2 295.343 -2.054 20 0 CAADLO C[C@H](C(N)=O)[NH+]1CC(CNC(=O)[C@@H]2CCNC2=O)C1 ZINC001031898903 656403706 /nfs/dbraw/zinc/40/37/06/656403706.db2.gz ORTHXGVEZSYHML-VXNVDRBHSA-N 1 2 268.317 -1.956 20 0 CAADLO CN(C)C(=O)C[NH+]1CC(CNC(=O)[C@H]2CCNC2=O)C1 ZINC001031900410 656403742 /nfs/dbraw/zinc/40/37/42/656403742.db2.gz RFBICAFEMHCSDP-JTQLQIEISA-N 1 2 282.344 -1.741 20 0 CAADLO O=C(C[NH+]1CC(CNC(=O)[C@@H]2CCNC2=O)C1)NC1CC1 ZINC001031900293 656403866 /nfs/dbraw/zinc/40/38/66/656403866.db2.gz NJLFYDSSSBPULH-LLVKDONJSA-N 1 2 294.355 -1.551 20 0 CAADLO O=C(NCC1C[NH+]([C@H]2CCNC2=O)C1)[C@H]1CCNC1=O ZINC001031900486 656403968 /nfs/dbraw/zinc/40/39/68/656403968.db2.gz ULMYKNKEWZJVGS-UWVGGRQHSA-N 1 2 280.328 -1.941 20 0 CAADLO CN1C[C@H](C(=O)NCC2C[NH+]([C@@H]3CCNC3=O)C2)NC1=O ZINC001031902405 656404074 /nfs/dbraw/zinc/40/40/74/656404074.db2.gz MDMQGMOGZJSMCO-NXEZZACHSA-N 1 2 295.343 -2.054 20 0 CAADLO CN1C[C@H](C(=O)NCC2C[NH+]([C@H]3CCNC3=O)C2)NC1=O ZINC001031902408 656404188 /nfs/dbraw/zinc/40/41/88/656404188.db2.gz MDMQGMOGZJSMCO-ZJUUUORDSA-N 1 2 295.343 -2.054 20 0 CAADLO O=C(NCC1C[NH+]([C@@H]2CCNC2=O)C1)[C@@H]1CCNC1=O ZINC001031900485 656404203 /nfs/dbraw/zinc/40/42/03/656404203.db2.gz ULMYKNKEWZJVGS-NXEZZACHSA-N 1 2 280.328 -1.941 20 0 CAADLO Cn1nnc(C(=O)NCC2C[NH+](CC(=O)NC3CC3)C2)n1 ZINC001031904760 656404386 /nfs/dbraw/zinc/40/43/86/656404386.db2.gz JXOQTZKYQDIIQV-UHFFFAOYSA-N 1 2 293.331 -1.850 20 0 CAADLO CN1C(=O)CC[C@H]1C(=O)NCC1C[NH+](CC(N)=O)C1 ZINC001031901613 656404459 /nfs/dbraw/zinc/40/44/59/656404459.db2.gz HZPFFPKUUHIFFR-VIFPVBQESA-N 1 2 268.317 -1.860 20 0 CAADLO CNC(=O)C[NH+]1CC(CNC(=O)c2nnn(C)n2)C1 ZINC001031905076 656404639 /nfs/dbraw/zinc/40/46/39/656404639.db2.gz VVPSOOQTUWTXPP-UHFFFAOYSA-N 1 2 267.293 -2.382 20 0 CAADLO CN1C(=O)CC[C@H]1C(=O)NCC1C[NH+]([C@@H]2CCNC2=O)C1 ZINC001031901631 656404649 /nfs/dbraw/zinc/40/46/49/656404649.db2.gz JRUQPCSDVDMJJS-WDEREUQCSA-N 1 2 294.355 -1.456 20 0 CAADLO C[C@H](C(N)=O)[NH+]1CC(CNC(=O)c2nnn(C)n2)C1 ZINC001031904946 656404912 /nfs/dbraw/zinc/40/49/12/656404912.db2.gz PMMXTOVDLGDURR-ZCFIWIBFSA-N 1 2 267.293 -2.255 20 0 CAADLO Cn1nnc(C(=O)NCC2C[NH+](CC(=O)N3CCC3)C2)n1 ZINC001031904485 656405117 /nfs/dbraw/zinc/40/51/17/656405117.db2.gz DFIFASSSKLVCQG-UHFFFAOYSA-N 1 2 293.331 -1.896 20 0 CAADLO CN(C)C(=O)C[NH+]1CC(CNC(=O)[C@@H]2CCN(C)C2=O)C1 ZINC001031909700 656405359 /nfs/dbraw/zinc/40/53/59/656405359.db2.gz AUPJTKKDCKICQE-NSHDSACASA-N 1 2 296.371 -1.399 20 0 CAADLO Cc1cnn(C)c1C(=O)NCC1C[NH+](CC(N)=O)C1 ZINC001031908676 656405846 /nfs/dbraw/zinc/40/58/46/656405846.db2.gz HNEYMTZDBSEUSR-UHFFFAOYSA-N 1 2 265.317 -1.125 20 0 CAADLO C[C@H](C(N)=O)[NH+]1CC(CNC(=O)[C@H]2CCN(C)C2=O)C1 ZINC001031908662 656406033 /nfs/dbraw/zinc/40/60/33/656406033.db2.gz ZSYYWYBDIDAEIH-PSASIEDQSA-N 1 2 282.344 -1.614 20 0 CAADLO O=C(NCC1C[NH+]([C@@H]2CCNC2=O)C1)[C@H]1[C@@H]2COC[C@@H]21 ZINC001031907824 656406062 /nfs/dbraw/zinc/40/60/62/656406062.db2.gz JAJZCEQREMXHHI-KXNHARMFSA-N 1 2 279.340 -1.185 20 0 CAADLO CN1CC[C@@H](C(=O)NCC2C[NH+](CC(N)=O)C2)C1=O ZINC001031913426 656406306 /nfs/dbraw/zinc/40/63/06/656406306.db2.gz XPLVWWXCUPYSBT-VIFPVBQESA-N 1 2 268.317 -2.002 20 0 CAADLO CNC(=O)C[NH+]1CC(CNC(=O)[C@H]2CCC(=O)N2C)C1 ZINC001031917511 656406602 /nfs/dbraw/zinc/40/66/02/656406602.db2.gz FBLXOFXYTHDUEN-SNVBAGLBSA-N 1 2 282.344 -1.599 20 0 CAADLO CN(C)C(=O)C[NH+]1CC(CNC(=O)[C@H]2CCC(=O)N2C)C1 ZINC001031917279 656406747 /nfs/dbraw/zinc/40/67/47/656406747.db2.gz SZCFXLVOBKFKBU-LLVKDONJSA-N 1 2 296.371 -1.257 20 0 CAADLO CN1C(=O)CC[C@@H]1C(=O)NCC1C[NH+]([C@H]2CCNC2=O)C1 ZINC001031916967 656406805 /nfs/dbraw/zinc/40/68/05/656406805.db2.gz JRUQPCSDVDMJJS-MNOVXSKESA-N 1 2 294.355 -1.456 20 0 CAADLO C[C@@H](C(N)=O)[NH+]1CC(CNC(=O)[C@H]2CCC(=O)N2C)C1 ZINC001031918401 656407706 /nfs/dbraw/zinc/40/77/06/656407706.db2.gz KIGFDZYSMPZIRA-WCBMZHEXSA-N 1 2 282.344 -1.471 20 0 CAADLO CN1C(=O)CC[C@@H]1C(=O)NCC1C[NH+]([C@@H]2CCNC2=O)C1 ZINC001031916949 656407750 /nfs/dbraw/zinc/40/77/50/656407750.db2.gz JRUQPCSDVDMJJS-GHMZBOCLSA-N 1 2 294.355 -1.456 20 0 CAADLO NC(=O)Cc1occc1C(=O)NCC1C[NH+](CC(N)=O)C1 ZINC001031928436 656407882 /nfs/dbraw/zinc/40/78/82/656407882.db2.gz PECFJDFJKQZRIB-UHFFFAOYSA-N 1 2 294.311 -1.546 20 0 CAADLO CNC(=O)C[NH+]1CC(CNC(=O)c2c[nH]c(=O)cn2)C1 ZINC001031931263 656408293 /nfs/dbraw/zinc/40/82/93/656408293.db2.gz MYWCKMOFEUHYFO-UHFFFAOYSA-N 1 2 279.300 -1.823 20 0 CAADLO NC(=O)C[NH+]1CC(CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001031940681 656408757 /nfs/dbraw/zinc/40/87/57/656408757.db2.gz YBGWSFFEJLIGMJ-SSDOTTSWSA-N 1 2 255.278 -2.799 20 0 CAADLO C[C@@H](C(N)=O)[NH+]1CC(CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001031942928 656410117 /nfs/dbraw/zinc/41/01/17/656410117.db2.gz VICKAFRWLJSHRT-POYBYMJQSA-N 1 2 269.305 -2.410 20 0 CAADLO O=C(NCC1C[NH+]([C@H]2CCNC2=O)C1)[C@H]1CNC(=O)N1 ZINC001031940380 656410315 /nfs/dbraw/zinc/41/03/15/656410315.db2.gz SOQBSOOEDMBJCC-BDAKNGLRSA-N 1 2 281.316 -2.396 20 0 CAADLO C[C@H](C(N)=O)[NH+]1CC(CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001031942927 656411119 /nfs/dbraw/zinc/41/11/19/656411119.db2.gz VICKAFRWLJSHRT-HTRCEHHLSA-N 1 2 269.305 -2.410 20 0 CAADLO Cn1cncc1C[NH+]1CC(CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001031945137 656411578 /nfs/dbraw/zinc/41/15/78/656411578.db2.gz QQVRXNJYRJSADC-LLVKDONJSA-N 1 2 292.343 -1.351 20 0 CAADLO O=C(C[NH+]1CC(CNC(=O)[C@@H]2CNC(=O)N2)C1)N1CCC1 ZINC001031944962 656411688 /nfs/dbraw/zinc/41/16/88/656411688.db2.gz KPVGNHGOTBLAOQ-JTQLQIEISA-N 1 2 295.343 -2.052 20 0 CAADLO O=C(C[NH+]1CC(CNC(=O)[C@H]2CNC(=O)N2)C1)N1CCC1 ZINC001031944963 656412233 /nfs/dbraw/zinc/41/22/33/656412233.db2.gz KPVGNHGOTBLAOQ-SNVBAGLBSA-N 1 2 295.343 -2.052 20 0 CAADLO CNC(=O)C[NH+]1CC(CNC(=O)c2cn(C)c(=O)[nH]2)C1 ZINC001031949667 656412356 /nfs/dbraw/zinc/41/23/56/656412356.db2.gz DJFUMVLIRPIFNL-UHFFFAOYSA-N 1 2 281.316 -1.467 20 0 CAADLO Cn1cncc1C[NH+]1CC(CNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001031945138 656412618 /nfs/dbraw/zinc/41/26/18/656412618.db2.gz QQVRXNJYRJSADC-NSHDSACASA-N 1 2 292.343 -1.351 20 0 CAADLO Cn1cc(C(=O)NCC2C[NH+](CC(N)=O)C2)[nH]c1=O ZINC001031951077 656414165 /nfs/dbraw/zinc/41/41/65/656414165.db2.gz MUKAHHBWVPXDEC-UHFFFAOYSA-N 1 2 267.289 -1.727 20 0 CAADLO C[C@H](C(N)=O)[NH+]1CC(CNC(=O)c2cn(C)c(=O)[nH]2)C1 ZINC001031950000 656414204 /nfs/dbraw/zinc/41/42/04/656414204.db2.gz ORYHHQOOHHLGSC-SSDOTTSWSA-N 1 2 281.316 -1.339 20 0 CAADLO Cn1c[nH+]cc1CC(=O)N1CCCN(C(=O)C(N)=O)CC1 ZINC000941669893 656419334 /nfs/dbraw/zinc/41/93/34/656419334.db2.gz NPXZLULPOBHKPC-UHFFFAOYSA-N 1 2 293.327 -1.491 20 0 CAADLO C[C@H](C(N)=O)[NH+]1CC(CNC(=O)[C@H]2CCCCC(=O)N2)C1 ZINC001031970629 656443006 /nfs/dbraw/zinc/44/30/06/656443006.db2.gz AMIAZXCGBRWFPH-MWLCHTKSSA-N 1 2 296.371 -1.033 20 0 CAADLO C[C@@H](C(N)=O)[NH+]1CC(CNC(=O)[C@H]2CCCCC(=O)N2)C1 ZINC001031970627 656443511 /nfs/dbraw/zinc/44/35/11/656443511.db2.gz AMIAZXCGBRWFPH-GXSJLCMTSA-N 1 2 296.371 -1.033 20 0 CAADLO NC(=O)C(=O)N1CCCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC000941725726 656443801 /nfs/dbraw/zinc/44/38/01/656443801.db2.gz SHDMHJIZMXZDPX-UHFFFAOYSA-N 1 2 293.327 -1.181 20 0 CAADLO C[C@@H](C(N)=O)[NH+]1CC(CNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001031973509 656445303 /nfs/dbraw/zinc/44/53/03/656445303.db2.gz KRSHMMMTUGPUKK-UJNFCWOMSA-N 1 2 298.343 -2.059 20 0 CAADLO NC(=O)C[NH+]1CC(CNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001031973252 656445998 /nfs/dbraw/zinc/44/59/98/656445998.db2.gz CHZINMSCDJTVIU-DTWKUNHWSA-N 1 2 284.316 -2.447 20 0 CAADLO O=C(Cn1cc[nH+]c1)N1CC(NC(=O)c2cn[nH]n2)C1 ZINC000995179035 656446848 /nfs/dbraw/zinc/44/68/48/656446848.db2.gz ODDROGMWNFOOCC-UHFFFAOYSA-N 1 2 275.272 -1.358 20 0 CAADLO Cc1[nH+]ccn1CC(=O)N1CC(NC(=O)c2cn[nH]n2)C1 ZINC000995184469 656446998 /nfs/dbraw/zinc/44/69/98/656446998.db2.gz JRSQFEHEQQSXTL-UHFFFAOYSA-N 1 2 289.299 -1.050 20 0 CAADLO Cc1[nH+]ccn1CC(=O)N1CC(NC(=O)c2cnn[nH]2)C1 ZINC000995184469 656447005 /nfs/dbraw/zinc/44/70/05/656447005.db2.gz JRSQFEHEQQSXTL-UHFFFAOYSA-N 1 2 289.299 -1.050 20 0 CAADLO C[C@H](C(N)=O)[NH+]1CC(CNC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001031979665 656447072 /nfs/dbraw/zinc/44/70/72/656447072.db2.gz DHZRJZPVBOJYAB-VDAHYXPESA-N 1 2 268.317 -1.970 20 0 CAADLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCN(C(=O)C(N)=O)C1 ZINC000941931723 656448152 /nfs/dbraw/zinc/44/81/52/656448152.db2.gz IZNSSIGVXGWRMG-MRVPVSSYSA-N 1 2 279.300 -1.537 20 0 CAADLO CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)NCC1C[NH+](CC(N)=O)C1 ZINC001031979551 656448402 /nfs/dbraw/zinc/44/84/02/656448402.db2.gz ZEZKVBDQFSHZIC-VHSXEESVSA-N 1 2 282.344 -1.756 20 0 CAADLO NC(=O)C[NH+]1CC(CNC(=O)c2ccc(C(N)=O)[nH]2)C1 ZINC001031982456 656449013 /nfs/dbraw/zinc/44/90/13/656449013.db2.gz QQJNOKUCZZMRDY-UHFFFAOYSA-N 1 2 279.300 -1.740 20 0 CAADLO C[C@H](C(N)=O)[NH+]1CC(CNC(=O)[C@H]2CC[C@@H](C(N)=O)C2)C1 ZINC001031981281 656449086 /nfs/dbraw/zinc/44/90/86/656449086.db2.gz XGISSOKPWLPHCX-IEBDPFPHSA-N 1 2 296.371 -1.190 20 0 CAADLO NC(=O)[C@@H]1C[C@@H]1C(=O)NCC1C[NH+]([C@H]2CCNC2=O)C1 ZINC001031982445 656449101 /nfs/dbraw/zinc/44/91/01/656449101.db2.gz QHIJQQBPAAUTRY-UTLUCORTSA-N 1 2 280.328 -1.956 20 0 CAADLO C[C@@H]1CCO[C@@H]1C(=O)NCC1C[NH+](CC(N)=O)C1 ZINC001031985455 656449143 /nfs/dbraw/zinc/44/91/43/656449143.db2.gz DGRQGOVLAPHVAD-KCJUWKMLSA-N 1 2 255.318 -1.055 20 0 CAADLO C[C@H](C(N)=O)[NH+]1CC(CNC(=O)c2ccc(C(N)=O)[nH]2)C1 ZINC001031982829 656449665 /nfs/dbraw/zinc/44/96/65/656449665.db2.gz FNTQFALWKOSSBG-SSDOTTSWSA-N 1 2 293.327 -1.351 20 0 CAADLO NC(=O)[C@@H]1C[C@@H]1C(=O)NCC1C[NH+](CC(=O)N2CCC2)C1 ZINC001031981416 656450405 /nfs/dbraw/zinc/45/04/05/656450405.db2.gz DFLBXRMHAKRCAM-MNOVXSKESA-N 1 2 294.355 -1.612 20 0 CAADLO NC(=O)C(=O)N1CCCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000942081234 656451414 /nfs/dbraw/zinc/45/14/14/656451414.db2.gz RUEHTRRQTLHXTR-UHFFFAOYSA-N 1 2 279.300 -1.502 20 0 CAADLO NC(=O)C(=O)N1CCCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000942135901 656454107 /nfs/dbraw/zinc/45/41/07/656454107.db2.gz WXXGHUYMWPKZPC-UHFFFAOYSA-N 1 2 279.300 -1.502 20 0 CAADLO C[C@H]1C[N@H+](CC(N)=O)CC[C@@H]1NC(=O)c1cn[nH]n1 ZINC000942215891 656454917 /nfs/dbraw/zinc/45/49/17/656454917.db2.gz HWJKCWGJJBVTAU-YUMQZZPRSA-N 1 2 266.305 -1.270 20 0 CAADLO C[C@H]1C[N@@H+](CC(N)=O)CC[C@@H]1NC(=O)c1cn[nH]n1 ZINC000942215891 656454919 /nfs/dbraw/zinc/45/49/19/656454919.db2.gz HWJKCWGJJBVTAU-YUMQZZPRSA-N 1 2 266.305 -1.270 20 0 CAADLO C[C@H]1C[N@H+](CC(N)=O)CC[C@@H]1NC(=O)c1cnn[nH]1 ZINC000942215891 656454922 /nfs/dbraw/zinc/45/49/22/656454922.db2.gz HWJKCWGJJBVTAU-YUMQZZPRSA-N 1 2 266.305 -1.270 20 0 CAADLO C[C@H]1C[N@@H+](CC(N)=O)CC[C@@H]1NC(=O)c1cnn[nH]1 ZINC000942215891 656454925 /nfs/dbraw/zinc/45/49/25/656454925.db2.gz HWJKCWGJJBVTAU-YUMQZZPRSA-N 1 2 266.305 -1.270 20 0 CAADLO NC(=O)C(=O)N1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000942278956 656454935 /nfs/dbraw/zinc/45/49/35/656454935.db2.gz IRPYONRUSIKMIA-SSDOTTSWSA-N 1 2 265.273 -1.845 20 0 CAADLO NC(=O)CC(=O)N1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000942277847 656455127 /nfs/dbraw/zinc/45/51/27/656455127.db2.gz ADLIKFNCIXPKCR-MRVPVSSYSA-N 1 2 279.300 -1.455 20 0 CAADLO Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H](NC(=O)C(N)=O)C1 ZINC000942301828 656455561 /nfs/dbraw/zinc/45/55/61/656455561.db2.gz BLVHAOVOPCYFSC-MRVPVSSYSA-N 1 2 279.300 -1.537 20 0 CAADLO O=C(N[C@H]1CC[N@H+](CCN2CCNC2=O)C1)c1nnc[nH]1 ZINC001015872073 656458913 /nfs/dbraw/zinc/45/89/13/656458913.db2.gz ZECHNAAEQLOFKJ-VIFPVBQESA-N 1 2 293.331 -1.366 20 0 CAADLO O=C(N[C@H]1CC[N@@H+](CCN2CCNC2=O)C1)c1nnc[nH]1 ZINC001015872073 656458914 /nfs/dbraw/zinc/45/89/14/656458914.db2.gz ZECHNAAEQLOFKJ-VIFPVBQESA-N 1 2 293.331 -1.366 20 0 CAADLO O=C(N[C@H]1CC[N@H+](CCN2CCNC2=O)C1)c1ncn[nH]1 ZINC001015872073 656458917 /nfs/dbraw/zinc/45/89/17/656458917.db2.gz ZECHNAAEQLOFKJ-VIFPVBQESA-N 1 2 293.331 -1.366 20 0 CAADLO O=C(N[C@H]1CC[N@@H+](CCN2CCNC2=O)C1)c1ncn[nH]1 ZINC001015872073 656458921 /nfs/dbraw/zinc/45/89/21/656458921.db2.gz ZECHNAAEQLOFKJ-VIFPVBQESA-N 1 2 293.331 -1.366 20 0 CAADLO NC(=O)C[NH+]1CC(CNC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001032014234 656459332 /nfs/dbraw/zinc/45/93/32/656459332.db2.gz ZMZWRGOUVNTUOW-ZETCQYMHSA-N 1 2 283.288 -2.882 20 0 CAADLO C[C@H](C(N)=O)[NH+]1CC(CNC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001032013436 656459398 /nfs/dbraw/zinc/45/93/98/656459398.db2.gz BZSAZFLWQKULMW-SVRRBLITSA-N 1 2 297.315 -2.494 20 0 CAADLO CCCN1C[C@H](C(=O)NCC2C[NH+](CC(N)=O)C2)CC1=O ZINC001032016695 656459466 /nfs/dbraw/zinc/45/94/66/656459466.db2.gz UFSZMQNXCBIYPS-LLVKDONJSA-N 1 2 296.371 -1.222 20 0 CAADLO NC(=O)CC(=O)N1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC000942514353 656459931 /nfs/dbraw/zinc/45/99/31/656459931.db2.gz KKORADOIOXKZFY-MRVPVSSYSA-N 1 2 279.300 -1.455 20 0 CAADLO O=C(NCC1C[NH+](CCO)C1)[C@H]1CCCS(=O)(=O)C1 ZINC001032022699 656460184 /nfs/dbraw/zinc/46/01/84/656460184.db2.gz NBJDJEQGDKNIQH-NSHDSACASA-N 1 2 290.385 -1.149 20 0 CAADLO NC(=O)C[NH+]1CC(CNC(=O)[C@H]2CCC[C@@H](C(N)=O)C2)C1 ZINC001032020926 656460385 /nfs/dbraw/zinc/46/03/85/656460385.db2.gz ZFKOWHSQFCCQIH-MNOVXSKESA-N 1 2 296.371 -1.189 20 0 CAADLO C[C@H]1C[N@H+](Cc2ncnn2C)CC[C@H]1NC(=O)C(N)=O ZINC000942590781 656460870 /nfs/dbraw/zinc/46/08/70/656460870.db2.gz AGPNMMROUURUBX-DTWKUNHWSA-N 1 2 280.332 -1.373 20 0 CAADLO C[C@H]1C[N@@H+](Cc2ncnn2C)CC[C@H]1NC(=O)C(N)=O ZINC000942590781 656460874 /nfs/dbraw/zinc/46/08/74/656460874.db2.gz AGPNMMROUURUBX-DTWKUNHWSA-N 1 2 280.332 -1.373 20 0 CAADLO C[C@@H]1C[N@H+](Cc2cn(C)nn2)CC[C@@H]1NC(=O)C(N)=O ZINC000942591627 656460949 /nfs/dbraw/zinc/46/09/49/656460949.db2.gz MFPSOJGZJWZXOG-SCZZXKLOSA-N 1 2 280.332 -1.373 20 0 CAADLO C[C@@H]1C[N@@H+](Cc2cn(C)nn2)CC[C@@H]1NC(=O)C(N)=O ZINC000942591627 656460952 /nfs/dbraw/zinc/46/09/52/656460952.db2.gz MFPSOJGZJWZXOG-SCZZXKLOSA-N 1 2 280.332 -1.373 20 0 CAADLO C[C@@H]1C[N@H+](Cc2nncn2C)CC[C@H]1NC(=O)C(N)=O ZINC000942592331 656461080 /nfs/dbraw/zinc/46/10/80/656461080.db2.gz WIKKVNUJKZLKGM-RKDXNWHRSA-N 1 2 280.332 -1.373 20 0 CAADLO C[C@@H]1C[N@@H+](Cc2nncn2C)CC[C@H]1NC(=O)C(N)=O ZINC000942592331 656461084 /nfs/dbraw/zinc/46/10/84/656461084.db2.gz WIKKVNUJKZLKGM-RKDXNWHRSA-N 1 2 280.332 -1.373 20 0 CAADLO C[C@@H]1C[N@H+](Cc2nncn2C)CC[C@@H]1NC(=O)C(N)=O ZINC000942592328 656461177 /nfs/dbraw/zinc/46/11/77/656461177.db2.gz WIKKVNUJKZLKGM-BDAKNGLRSA-N 1 2 280.332 -1.373 20 0 CAADLO C[C@@H]1C[N@@H+](Cc2nncn2C)CC[C@@H]1NC(=O)C(N)=O ZINC000942592328 656461181 /nfs/dbraw/zinc/46/11/81/656461181.db2.gz WIKKVNUJKZLKGM-BDAKNGLRSA-N 1 2 280.332 -1.373 20 0 CAADLO Cc1nnc(C[N@@H+]2CC[C@H](NC(=O)C(N)=O)[C@@H](C)C2)[nH]1 ZINC000942591571 656461226 /nfs/dbraw/zinc/46/12/26/656461226.db2.gz LBEITOSOUFPNKG-CBAPKCEASA-N 1 2 280.332 -1.075 20 0 CAADLO Cc1nnc(C[N@H+]2CC[C@H](NC(=O)C(N)=O)[C@@H](C)C2)[nH]1 ZINC000942591571 656461232 /nfs/dbraw/zinc/46/12/32/656461232.db2.gz LBEITOSOUFPNKG-CBAPKCEASA-N 1 2 280.332 -1.075 20 0 CAADLO C[C@H]1C[N@H+](Cc2cnn(C)n2)CC[C@H]1NC(=O)C(N)=O ZINC000942592586 656461427 /nfs/dbraw/zinc/46/14/27/656461427.db2.gz ZRRXQSPVIHUPPH-WCBMZHEXSA-N 1 2 280.332 -1.373 20 0 CAADLO C[C@H]1C[N@@H+](Cc2cnn(C)n2)CC[C@H]1NC(=O)C(N)=O ZINC000942592586 656461430 /nfs/dbraw/zinc/46/14/30/656461430.db2.gz ZRRXQSPVIHUPPH-WCBMZHEXSA-N 1 2 280.332 -1.373 20 0 CAADLO C[C@@H]1C[N@H+](Cc2cnn(C)n2)CC[C@H]1NC(=O)C(N)=O ZINC000942592584 656461468 /nfs/dbraw/zinc/46/14/68/656461468.db2.gz ZRRXQSPVIHUPPH-PSASIEDQSA-N 1 2 280.332 -1.373 20 0 CAADLO C[C@@H]1C[N@@H+](Cc2cnn(C)n2)CC[C@H]1NC(=O)C(N)=O ZINC000942592584 656461470 /nfs/dbraw/zinc/46/14/70/656461470.db2.gz ZRRXQSPVIHUPPH-PSASIEDQSA-N 1 2 280.332 -1.373 20 0 CAADLO C[C@H]1C[N@H+](Cc2cnon2)CC[C@H]1NC(=O)C(N)=O ZINC000942592044 656461495 /nfs/dbraw/zinc/46/14/95/656461495.db2.gz RUMNFWAKSZJWPO-IONNQARKSA-N 1 2 267.289 -1.119 20 0 CAADLO C[C@H]1C[N@@H+](Cc2cnon2)CC[C@H]1NC(=O)C(N)=O ZINC000942592044 656461497 /nfs/dbraw/zinc/46/14/97/656461497.db2.gz RUMNFWAKSZJWPO-IONNQARKSA-N 1 2 267.289 -1.119 20 0 CAADLO C[C@H]1C[N@H+](Cc2cnon2)CC[C@@H]1NC(=O)C(N)=O ZINC000942592043 656461539 /nfs/dbraw/zinc/46/15/39/656461539.db2.gz RUMNFWAKSZJWPO-CBAPKCEASA-N 1 2 267.289 -1.119 20 0 CAADLO C[C@H]1C[N@@H+](Cc2cnon2)CC[C@@H]1NC(=O)C(N)=O ZINC000942592043 656461541 /nfs/dbraw/zinc/46/15/41/656461541.db2.gz RUMNFWAKSZJWPO-CBAPKCEASA-N 1 2 267.289 -1.119 20 0 CAADLO NC(=O)C[NH+]1CC(CNC(=O)c2cnc3cccnn32)C1 ZINC001032034378 656461863 /nfs/dbraw/zinc/46/18/63/656461863.db2.gz ZJUVCORXZPOTMU-UHFFFAOYSA-N 1 2 288.311 -1.124 20 0 CAADLO CNC(=O)[C@H](C)[NH+]1CC(CNC(=O)c2cnn(C)n2)C1 ZINC001032051021 656462119 /nfs/dbraw/zinc/46/21/19/656462119.db2.gz NXEDYFGFOUAJEF-QMMMGPOBSA-N 1 2 280.332 -1.389 20 0 CAADLO Cn1ncc(C(=O)NCC2C[NH+](CC(=O)NC3CC3)C2)n1 ZINC001032051028 656462341 /nfs/dbraw/zinc/46/23/41/656462341.db2.gz OFVPIWBNVKATPJ-UHFFFAOYSA-N 1 2 292.343 -1.245 20 0 CAADLO CNC(=O)C[NH+]1CC(CNC(=O)c2cnn(C)n2)C1 ZINC001032048511 656462549 /nfs/dbraw/zinc/46/25/49/656462549.db2.gz YOFDBUFBRFNBBM-UHFFFAOYSA-N 1 2 266.305 -1.777 20 0 CAADLO O=C(N[C@H]1CC[N@@H+]([C@@H]2CCC(=O)NC2=O)C1)c1cnon1 ZINC001015877673 656462768 /nfs/dbraw/zinc/46/27/68/656462768.db2.gz XVZPXANGBUOVPZ-IONNQARKSA-N 1 2 293.283 -1.321 20 0 CAADLO O=C(N[C@H]1CC[N@H+]([C@@H]2CCC(=O)NC2=O)C1)c1cnon1 ZINC001015877673 656462771 /nfs/dbraw/zinc/46/27/71/656462771.db2.gz XVZPXANGBUOVPZ-IONNQARKSA-N 1 2 293.283 -1.321 20 0 CAADLO C[C@@H](C(N)=O)[NH+]1CC(CNC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001032047445 656462778 /nfs/dbraw/zinc/46/27/78/656462778.db2.gz AFXRJONAVBTZDB-ZETCQYMHSA-N 1 2 296.327 -2.039 20 0 CAADLO CNC(=O)[C@H](C)[NH+]1CC(CNC(=O)c2cnon2)C1 ZINC001032063346 656463132 /nfs/dbraw/zinc/46/31/32/656463132.db2.gz WAXTYUCRVDJVBJ-ZETCQYMHSA-N 1 2 267.289 -1.134 20 0 CAADLO O=C(NCC1C[NH+]([C@H]2CCNC2=O)C1)c1cnon1 ZINC001032063848 656463231 /nfs/dbraw/zinc/46/32/31/656463231.db2.gz SEAMTRPNYSWNBJ-VIFPVBQESA-N 1 2 265.273 -1.380 20 0 CAADLO C[C@@H](C(N)=O)[NH+]1CC(CNC(=O)c2cc(C(N)=O)c[nH]2)C1 ZINC001032074963 656463331 /nfs/dbraw/zinc/46/33/31/656463331.db2.gz ANSIKQCADHNSDW-ZETCQYMHSA-N 1 2 293.327 -1.351 20 0 CAADLO C[C@@H]1OCC[C@@H]1C(=O)NCC1C[NH+](CC(N)=O)C1 ZINC001032073590 656463691 /nfs/dbraw/zinc/46/36/91/656463691.db2.gz DPHULQCDSWIXFL-WPRPVWTQSA-N 1 2 255.318 -1.055 20 0 CAADLO CCn1cc(C(=O)NCC2C[NH+]([C@@H]3CCNC3=O)C2)nn1 ZINC001032081353 656464142 /nfs/dbraw/zinc/46/41/42/656464142.db2.gz MSMJPGMLDONHJW-LLVKDONJSA-N 1 2 292.343 -1.152 20 0 CAADLO CCn1cc(C(=O)NCC2C[NH+]([C@@H](C)C(N)=O)C2)nn1 ZINC001032081551 656464170 /nfs/dbraw/zinc/46/41/70/656464170.db2.gz SDVAGUGESYDCSU-QMMMGPOBSA-N 1 2 280.332 -1.167 20 0 CAADLO NC(=O)C(=O)N[C@@H]1CCCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000943490825 656464249 /nfs/dbraw/zinc/46/42/49/656464249.db2.gz KYLGFYGOEGGXJE-SECBINFHSA-N 1 2 293.327 -1.065 20 0 CAADLO NC(=O)C(=O)N1CCCC[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000943479705 656464566 /nfs/dbraw/zinc/46/45/66/656464566.db2.gz FNQKSMNMGIFEAP-VIFPVBQESA-N 1 2 293.327 -1.065 20 0 CAADLO COc1ccc(C(=O)NCC2C[NH+](CC(N)=O)C2)nn1 ZINC001032101827 656464960 /nfs/dbraw/zinc/46/49/60/656464960.db2.gz DEXXVRVRCWEQFN-UHFFFAOYSA-N 1 2 279.300 -1.368 20 0 CAADLO C[C@H]1C[N@H+](CC(N)=O)CC[C@@H]1NC(=O)c1nnc[nH]1 ZINC000943702584 656464970 /nfs/dbraw/zinc/46/49/70/656464970.db2.gz OYPLPGJUCZNZII-YUMQZZPRSA-N 1 2 266.305 -1.270 20 0 CAADLO C[C@H]1C[N@@H+](CC(N)=O)CC[C@@H]1NC(=O)c1nnc[nH]1 ZINC000943702584 656464972 /nfs/dbraw/zinc/46/49/72/656464972.db2.gz OYPLPGJUCZNZII-YUMQZZPRSA-N 1 2 266.305 -1.270 20 0 CAADLO C[C@H]1C[N@H+](CC(N)=O)CC[C@@H]1NC(=O)c1ncn[nH]1 ZINC000943702584 656464977 /nfs/dbraw/zinc/46/49/77/656464977.db2.gz OYPLPGJUCZNZII-YUMQZZPRSA-N 1 2 266.305 -1.270 20 0 CAADLO C[C@H]1C[N@@H+](CC(N)=O)CC[C@@H]1NC(=O)c1ncn[nH]1 ZINC000943702584 656464981 /nfs/dbraw/zinc/46/49/81/656464981.db2.gz OYPLPGJUCZNZII-YUMQZZPRSA-N 1 2 266.305 -1.270 20 0 CAADLO O=C(NCC1C[NH+](CCO)C1)[C@@H]1CCc2[nH]nnc2C1 ZINC001032126472 656465851 /nfs/dbraw/zinc/46/58/51/656465851.db2.gz DKFQFLLXGVWONP-SNVBAGLBSA-N 1 2 279.344 -1.050 20 0 CAADLO O=C(NCC1C[NH+](CCO)C1)[C@@H]1CCc2nn[nH]c2C1 ZINC001032126472 656465859 /nfs/dbraw/zinc/46/58/59/656465859.db2.gz DKFQFLLXGVWONP-SNVBAGLBSA-N 1 2 279.344 -1.050 20 0 CAADLO O=C(NCC1C[NH+](CCO)C1)[C@H]1CCc2[nH]nnc2C1 ZINC001032126470 656466461 /nfs/dbraw/zinc/46/64/61/656466461.db2.gz DKFQFLLXGVWONP-JTQLQIEISA-N 1 2 279.344 -1.050 20 0 CAADLO O=C(NCC1C[NH+](CCO)C1)[C@H]1CCc2nn[nH]c2C1 ZINC001032126470 656466463 /nfs/dbraw/zinc/46/64/63/656466463.db2.gz DKFQFLLXGVWONP-JTQLQIEISA-N 1 2 279.344 -1.050 20 0 CAADLO CC(=O)N1CCC[C@H]1C(=O)NCC1C[NH+](CC(N)=O)C1 ZINC001032139009 656466650 /nfs/dbraw/zinc/46/66/50/656466650.db2.gz RHCXVZFDKKEGDF-NSHDSACASA-N 1 2 282.344 -1.469 20 0 CAADLO COc1c(C(=O)NCC2C[NH+]([C@@H](C)C(N)=O)C2)cnn1C ZINC001032152812 656466749 /nfs/dbraw/zinc/46/67/49/656466749.db2.gz LASVBLNLBFKJIY-QMMMGPOBSA-N 1 2 295.343 -1.036 20 0 CAADLO CNC(=O)C[NH+]1CC(CNC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001032136968 656466813 /nfs/dbraw/zinc/46/68/13/656466813.db2.gz IVKKGAFHYOAAAZ-VIFPVBQESA-N 1 2 268.317 -1.941 20 0 CAADLO CNC(=O)C[NH+]1CC(CNC(=O)c2cnn(C)c2OC)C1 ZINC001032154663 656466823 /nfs/dbraw/zinc/46/68/23/656466823.db2.gz DXCPQBXHWXXFHU-UHFFFAOYSA-N 1 2 295.343 -1.164 20 0 CAADLO CNC(=O)C[NH+]1CC(CNC(=O)[C@H]2CCN(C(C)=O)C2)C1 ZINC001032156165 656466873 /nfs/dbraw/zinc/46/68/73/656466873.db2.gz LPZLESGPAMQCRI-LBPRGKRZSA-N 1 2 296.371 -1.351 20 0 CAADLO C[C@@H]1C[N@H+](CC(N)=O)CC[C@H]1NC(=O)Cc1nnc[nH]1 ZINC000944047144 656466937 /nfs/dbraw/zinc/46/69/37/656466937.db2.gz OIILDYOSAXEGKV-RKDXNWHRSA-N 1 2 280.332 -1.341 20 0 CAADLO C[C@@H]1C[N@@H+](CC(N)=O)CC[C@H]1NC(=O)Cc1nnc[nH]1 ZINC000944047144 656466942 /nfs/dbraw/zinc/46/69/42/656466942.db2.gz OIILDYOSAXEGKV-RKDXNWHRSA-N 1 2 280.332 -1.341 20 0 CAADLO CNC(=O)C[NH+]1CC(CNC(=O)[C@@H]2CCCC(=O)N2C)C1 ZINC001032160543 656466956 /nfs/dbraw/zinc/46/69/56/656466956.db2.gz YPZLLMVYXXICKY-NSHDSACASA-N 1 2 296.371 -1.209 20 0 CAADLO NC(=O)C[NH+]1CC(CNC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001032138284 656466971 /nfs/dbraw/zinc/46/69/71/656466971.db2.gz UPAPKYBXQFPPTO-QMMMGPOBSA-N 1 2 254.290 -2.202 20 0 CAADLO O=C(NCC1C[NH+]([C@@H]2CCNC2=O)C1)[C@@H]1CCC(=O)N1 ZINC001032138199 656467079 /nfs/dbraw/zinc/46/70/79/656467079.db2.gz PZTZWQJCECSRJO-VHSXEESVSA-N 1 2 280.328 -1.799 20 0 CAADLO C[C@H](C(N)=O)[NH+]1CC(CNC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001032137763 656467134 /nfs/dbraw/zinc/46/71/34/656467134.db2.gz WWDRNHVROIZUHW-APPZFPTMSA-N 1 2 268.317 -1.813 20 0 CAADLO C[C@H]1C[N@H+](CC(N)=O)CC[C@@H]1NC(=O)Cc1nnc[nH]1 ZINC000944047143 656467154 /nfs/dbraw/zinc/46/71/54/656467154.db2.gz OIILDYOSAXEGKV-IUCAKERBSA-N 1 2 280.332 -1.341 20 0 CAADLO C[C@H]1C[N@@H+](CC(N)=O)CC[C@@H]1NC(=O)Cc1nnc[nH]1 ZINC000944047143 656467158 /nfs/dbraw/zinc/46/71/58/656467158.db2.gz OIILDYOSAXEGKV-IUCAKERBSA-N 1 2 280.332 -1.341 20 0 CAADLO CN1C(=O)CCC[C@@H]1C(=O)NCC1C[NH+](CC(N)=O)C1 ZINC001032160630 656467186 /nfs/dbraw/zinc/46/71/86/656467186.db2.gz DAWYKCOLCVCWBA-SNVBAGLBSA-N 1 2 282.344 -1.469 20 0 CAADLO C[C@H](C(N)=O)[NH+]1CC(CNC(=O)c2cccn(C)c2=O)C1 ZINC001032136251 656467285 /nfs/dbraw/zinc/46/72/85/656467285.db2.gz HWHXEOTXVVSNBA-SECBINFHSA-N 1 2 292.339 -1.079 20 0 CAADLO CC(=O)N1CC[C@@H](C(=O)NCC2C[NH+]([C@@H](C)C(N)=O)C2)C1 ZINC001032156804 656467351 /nfs/dbraw/zinc/46/73/51/656467351.db2.gz ZIZWECUTDMVUKS-JOYOIKCWSA-N 1 2 296.371 -1.223 20 0 CAADLO C[C@@H](C(N)=O)[NH+]1CC(CNC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001032137766 656467420 /nfs/dbraw/zinc/46/74/20/656467420.db2.gz WWDRNHVROIZUHW-CBAPKCEASA-N 1 2 268.317 -1.813 20 0 CAADLO C[C@H]1C[N@H+](CC(N)=O)CC[C@H]1NC(=O)Cc1nnc[nH]1 ZINC000944047142 656467473 /nfs/dbraw/zinc/46/74/73/656467473.db2.gz OIILDYOSAXEGKV-DTWKUNHWSA-N 1 2 280.332 -1.341 20 0 CAADLO C[C@H]1C[N@@H+](CC(N)=O)CC[C@H]1NC(=O)Cc1nnc[nH]1 ZINC000944047142 656467478 /nfs/dbraw/zinc/46/74/78/656467478.db2.gz OIILDYOSAXEGKV-DTWKUNHWSA-N 1 2 280.332 -1.341 20 0 CAADLO COc1c(C(=O)NCC2C[NH+]([C@H](C)C(N)=O)C2)cnn1C ZINC001032152810 656467544 /nfs/dbraw/zinc/46/75/44/656467544.db2.gz LASVBLNLBFKJIY-MRVPVSSYSA-N 1 2 295.343 -1.036 20 0 CAADLO CNC(=O)C[NH+]1CC(CNC(=O)[C@H]2CCCC(=O)N2C)C1 ZINC001032160542 656467617 /nfs/dbraw/zinc/46/76/17/656467617.db2.gz YPZLLMVYXXICKY-LLVKDONJSA-N 1 2 296.371 -1.209 20 0 CAADLO Cn1cc(C(=O)NCC2C[NH+](CC(N)=O)C2)c(=O)[nH]c1=O ZINC001032183114 656468090 /nfs/dbraw/zinc/46/80/90/656468090.db2.gz ACEQZEUZGXCRFU-UHFFFAOYSA-N 1 2 295.299 -2.367 20 0 CAADLO C[C@@H](C(N)=O)[NH+]1CC(CNC(=O)c2ccc(=O)n(C)n2)C1 ZINC001032173254 656468371 /nfs/dbraw/zinc/46/83/71/656468371.db2.gz VJSRRAMTWDOHKM-QMMMGPOBSA-N 1 2 293.327 -1.684 20 0 CAADLO C[C@H](C(N)=O)[NH+]1CC(CNC(=O)c2ccc(=O)n(C)n2)C1 ZINC001032173253 656468445 /nfs/dbraw/zinc/46/84/45/656468445.db2.gz VJSRRAMTWDOHKM-MRVPVSSYSA-N 1 2 293.327 -1.684 20 0 CAADLO C[C@H](C(N)=O)[NH+]1CC(CNC(=O)[C@H]2CCCC(=O)N2C)C1 ZINC001032160816 656468585 /nfs/dbraw/zinc/46/85/85/656468585.db2.gz IMWDAPWXOIKCSA-MWLCHTKSSA-N 1 2 296.371 -1.081 20 0 CAADLO Cc1nccc(C(=O)NCC2C[NH+](CC(N)=O)C2)n1 ZINC001032194113 656470259 /nfs/dbraw/zinc/47/02/59/656470259.db2.gz LRTRFGQBETUZBL-UHFFFAOYSA-N 1 2 263.301 -1.068 20 0 CAADLO O=C(NCC1C[NH+](CCO)C1)[C@H]1CCCS1(=O)=O ZINC001032196727 656470487 /nfs/dbraw/zinc/47/04/87/656470487.db2.gz ASKMLWIDAWNWPZ-SNVBAGLBSA-N 1 2 276.358 -1.396 20 0 CAADLO O=C(NCC1C[NH+](CCF)C1)[C@@H]1CCS(=O)(=O)N1 ZINC001032194401 656470594 /nfs/dbraw/zinc/47/05/94/656470594.db2.gz QWWWWQNRERCJIT-VIFPVBQESA-N 1 2 279.337 -1.304 20 0 CAADLO Cc1nn(CC(=O)N[C@H]2Cc3c[nH+]cn3C2)c(=O)n1C ZINC000623254948 656470875 /nfs/dbraw/zinc/47/08/75/656470875.db2.gz AXQNUFDCIPKZLG-VIFPVBQESA-N 1 2 276.300 -1.172 20 0 CAADLO NC(=O)C[NH+]1CC(CNC(=O)c2cccnc2C(N)=O)C1 ZINC001032200871 656470978 /nfs/dbraw/zinc/47/09/78/656470978.db2.gz KDOVUASXNPSHNC-UHFFFAOYSA-N 1 2 291.311 -1.673 20 0 CAADLO Cc1nn(CC(=O)N[C@@H]2Cc3c[nH+]cn3C2)c(=O)n1C ZINC000623254947 656471507 /nfs/dbraw/zinc/47/15/07/656471507.db2.gz AXQNUFDCIPKZLG-SECBINFHSA-N 1 2 276.300 -1.172 20 0 CAADLO NC(=O)Cn1cc(C(=O)NCC2C[NH+](CCF)C2)nn1 ZINC001032206141 656472184 /nfs/dbraw/zinc/47/21/84/656472184.db2.gz SNKGGNOAWLDEAH-UHFFFAOYSA-N 1 2 284.295 -1.606 20 0 CAADLO CNC(=O)C[NH+]1CC(CNC(=O)c2cn(C)c(=O)n2C)C1 ZINC001032211749 656472586 /nfs/dbraw/zinc/47/25/86/656472586.db2.gz XPDFSBVJXKVKFN-UHFFFAOYSA-N 1 2 295.343 -1.869 20 0 CAADLO CNC(=O)C[NH+]1CC(CNC(=O)[C@@H]2CCC(=O)N(C)C2)C1 ZINC001032208149 656472716 /nfs/dbraw/zinc/47/27/16/656472716.db2.gz MMGSMFVRBCDMRY-LLVKDONJSA-N 1 2 296.371 -1.351 20 0 CAADLO Cn1cc(C(=O)NCC2C[NH+](CC(N)=O)C2)n(C)c1=O ZINC001032211403 656472994 /nfs/dbraw/zinc/47/29/94/656472994.db2.gz NREDOFJNUFLLSD-UHFFFAOYSA-N 1 2 281.316 -2.129 20 0 CAADLO C[C@H](C(N)=O)[NH+]1CC(CNC(=O)c2cn(C)c(=O)n2C)C1 ZINC001032211770 656473104 /nfs/dbraw/zinc/47/31/04/656473104.db2.gz YQCSEIVUKLSEKV-MRVPVSSYSA-N 1 2 295.343 -1.741 20 0 CAADLO CC(=O)N1CCC[C@@H]1C(=O)NCC1C[NH+](CC(N)=O)C1 ZINC001032212878 656473111 /nfs/dbraw/zinc/47/31/11/656473111.db2.gz RHCXVZFDKKEGDF-LLVKDONJSA-N 1 2 282.344 -1.469 20 0 CAADLO C[C@H](C(N)=O)[NH+]1CC(CNC(=O)[C@@H]2CCC(=O)N(C)C2)C1 ZINC001032209557 656473180 /nfs/dbraw/zinc/47/31/80/656473180.db2.gz QGFWXDREUVJKRB-MWLCHTKSSA-N 1 2 296.371 -1.223 20 0 CAADLO Cn1nnc(CN2CCN(C(=O)Cc3[nH]cc[nH+]3)CC2)n1 ZINC000952401527 656474039 /nfs/dbraw/zinc/47/40/39/656474039.db2.gz UJMVCEHAXPTBCX-UHFFFAOYSA-N 1 2 290.331 -1.180 20 0 CAADLO NC(=O)C[NH+]1CC(CNC(=O)c2ccc(C(N)=O)cn2)C1 ZINC001032223149 656474911 /nfs/dbraw/zinc/47/49/11/656474911.db2.gz XORJUFHBMJEMQE-UHFFFAOYSA-N 1 2 291.311 -1.673 20 0 CAADLO COCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@@H]1CCC(=O)NC1=O ZINC001032236219 656475581 /nfs/dbraw/zinc/47/55/81/656475581.db2.gz NDTSYSWWXURBEQ-LPEHRKFASA-N 1 2 281.312 -1.277 20 0 CAADLO COCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2[C@@H]1CCC(=O)NC1=O ZINC001032236219 656475583 /nfs/dbraw/zinc/47/55/83/656475583.db2.gz NDTSYSWWXURBEQ-LPEHRKFASA-N 1 2 281.312 -1.277 20 0 CAADLO NC(=O)C[NH+]1CC(CNC(=O)[C@@H]2CCCN2C(N)=O)C1 ZINC001032226391 656475873 /nfs/dbraw/zinc/47/58/73/656475873.db2.gz HTGNVSBMFCPBPE-VIFPVBQESA-N 1 2 283.332 -1.937 20 0 CAADLO Cc1nonc1C(=O)NCC1C[NH+]([C@H](C)C(N)=O)C1 ZINC001032225490 656475782 /nfs/dbraw/zinc/47/57/82/656475782.db2.gz FNKJETZHAWMJND-SSDOTTSWSA-N 1 2 267.289 -1.087 20 0 CAADLO C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)CC[C@H]1NC(=O)C(N)=O ZINC000945384459 656477216 /nfs/dbraw/zinc/47/72/16/656477216.db2.gz LFZUNMYYWZHFRU-NXEZZACHSA-N 1 2 293.327 -1.278 20 0 CAADLO C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CC[C@H]1NC(=O)C(N)=O ZINC000945480061 656478334 /nfs/dbraw/zinc/47/83/34/656478334.db2.gz FKZJFQHYFHUGGP-RKDXNWHRSA-N 1 2 293.327 -1.209 20 0 CAADLO C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CC[C@@H]1NC(=O)C(N)=O ZINC000945480058 656478621 /nfs/dbraw/zinc/47/86/21/656478621.db2.gz FKZJFQHYFHUGGP-BDAKNGLRSA-N 1 2 293.327 -1.209 20 0 CAADLO C[C@@H]1CN(C(=O)C(N)=O)CC[C@@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC000945489946 656479143 /nfs/dbraw/zinc/47/91/43/656479143.db2.gz CCLLHEAMYRPDDE-SCZZXKLOSA-N 1 2 293.327 -1.209 20 0 CAADLO C[C@H]1CN(C(=O)C(N)=O)CC[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC000945499117 656479195 /nfs/dbraw/zinc/47/91/95/656479195.db2.gz OSQXIRGSFZSCMH-VHSXEESVSA-N 1 2 293.327 -1.278 20 0 CAADLO C[C@H]1CN(C(=O)C(N)=O)CC[C@@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC000945489948 656479695 /nfs/dbraw/zinc/47/96/95/656479695.db2.gz CCLLHEAMYRPDDE-WPRPVWTQSA-N 1 2 293.327 -1.209 20 0 CAADLO C[C@@H]1CN(C(=O)C(N)=O)CC[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC000945499115 656479945 /nfs/dbraw/zinc/47/99/45/656479945.db2.gz OSQXIRGSFZSCMH-NXEZZACHSA-N 1 2 293.327 -1.278 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1cnnn1 ZINC001032269452 656481023 /nfs/dbraw/zinc/48/10/23/656481023.db2.gz QBMZPWAXQZQHEA-UTLUCORTSA-N 1 2 293.331 -1.907 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1cnnn1 ZINC001032269452 656481031 /nfs/dbraw/zinc/48/10/31/656481031.db2.gz QBMZPWAXQZQHEA-UTLUCORTSA-N 1 2 293.331 -1.907 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)c2cc(C(N)=O)c[nH]2)C1 ZINC001015903933 656481405 /nfs/dbraw/zinc/48/14/05/656481405.db2.gz AGWBNOTXOOCGMB-VXNVDRBHSA-N 1 2 293.327 -1.209 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)c2cc(C(N)=O)c[nH]2)C1 ZINC001015903933 656481411 /nfs/dbraw/zinc/48/14/11/656481411.db2.gz AGWBNOTXOOCGMB-VXNVDRBHSA-N 1 2 293.327 -1.209 20 0 CAADLO NC(=O)CC(=O)N1CCC(NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000945626706 656481652 /nfs/dbraw/zinc/48/16/52/656481652.db2.gz UEDKQSIMYZRPFO-UHFFFAOYSA-N 1 2 293.327 -1.065 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCn1cncn1 ZINC001032281873 656482632 /nfs/dbraw/zinc/48/26/32/656482632.db2.gz HEWSZVNOAXTCLN-DCAQKATOSA-N 1 2 292.343 -1.173 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCn1cncn1 ZINC001032281873 656482634 /nfs/dbraw/zinc/48/26/34/656482634.db2.gz HEWSZVNOAXTCLN-DCAQKATOSA-N 1 2 292.343 -1.173 20 0 CAADLO CCn1cc(C(=O)N[C@H]2CC[N@@H+]([C@H]3CCNC3=O)C2)nn1 ZINC001015916620 656484508 /nfs/dbraw/zinc/48/45/08/656484508.db2.gz OAXJWMPNMHKDDT-ONGXEEELSA-N 1 2 292.343 -1.009 20 0 CAADLO CCn1cc(C(=O)N[C@H]2CC[N@H+]([C@H]3CCNC3=O)C2)nn1 ZINC001015916620 656484514 /nfs/dbraw/zinc/48/45/14/656484514.db2.gz OAXJWMPNMHKDDT-ONGXEEELSA-N 1 2 292.343 -1.009 20 0 CAADLO Cc1nonc1CC(=O)N[C@@H]1CC[N@@H+]([C@@H](C)C(N)=O)C1 ZINC001015926098 656486650 /nfs/dbraw/zinc/48/66/50/656486650.db2.gz LYFNEZHSMMNKKC-DTWKUNHWSA-N 1 2 281.316 -1.015 20 0 CAADLO Cc1nonc1CC(=O)N[C@@H]1CC[N@H+]([C@@H](C)C(N)=O)C1 ZINC001015926098 656486656 /nfs/dbraw/zinc/48/66/56/656486656.db2.gz LYFNEZHSMMNKKC-DTWKUNHWSA-N 1 2 281.316 -1.015 20 0 CAADLO CC1(C)CN(C(=O)C(N)=O)C[C@H]1[NH2+]Cc1cnon1 ZINC000996225082 656487229 /nfs/dbraw/zinc/48/72/29/656487229.db2.gz DGDMDZFWTPABFJ-MRVPVSSYSA-N 1 2 267.289 -1.119 20 0 CAADLO CC1(C)CN(C(=O)Cc2ncn[nH]2)C[C@@H]1[NH2+]CC(N)=O ZINC000996504466 656490364 /nfs/dbraw/zinc/49/03/64/656490364.db2.gz CZJKFKSIXXATII-QMMMGPOBSA-N 1 2 280.332 -1.341 20 0 CAADLO COCC(=O)N1CC(NC(=O)Cc2c[nH+]cn2C)C1 ZINC000996444394 656490886 /nfs/dbraw/zinc/49/08/86/656490886.db2.gz TVIJHMQKERTYLT-UHFFFAOYSA-N 1 2 266.301 -1.064 20 0 CAADLO CC(=O)N1CC[C@](C)(C(=O)N[C@@H]2CC[N@H+](CC(N)=O)C2)C1 ZINC001015963894 656492100 /nfs/dbraw/zinc/49/21/00/656492100.db2.gz PXXMIKZLECOTBB-RISCZKNCSA-N 1 2 296.371 -1.079 20 0 CAADLO CC(=O)N1CC[C@](C)(C(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C2)C1 ZINC001015963894 656492108 /nfs/dbraw/zinc/49/21/08/656492108.db2.gz PXXMIKZLECOTBB-RISCZKNCSA-N 1 2 296.371 -1.079 20 0 CAADLO CC(=O)N1CC[C@@](C)(C(=O)N[C@H]2CC[N@H+](CC(N)=O)C2)C1 ZINC001015963895 656492693 /nfs/dbraw/zinc/49/26/93/656492693.db2.gz PXXMIKZLECOTBB-SMDDNHRTSA-N 1 2 296.371 -1.079 20 0 CAADLO CC(=O)N1CC[C@@](C)(C(=O)N[C@H]2CC[N@@H+](CC(N)=O)C2)C1 ZINC001015963895 656492697 /nfs/dbraw/zinc/49/26/97/656492697.db2.gz PXXMIKZLECOTBB-SMDDNHRTSA-N 1 2 296.371 -1.079 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)Cc2nc[nH]n2)C1 ZINC001015967201 656494396 /nfs/dbraw/zinc/49/43/96/656494396.db2.gz AFCXCRBFKMLDHO-RKDXNWHRSA-N 1 2 280.332 -1.328 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+]1CC[C@@H](NC(=O)Cc2nc[nH]n2)C1 ZINC001015967201 656494400 /nfs/dbraw/zinc/49/44/00/656494400.db2.gz AFCXCRBFKMLDHO-RKDXNWHRSA-N 1 2 280.332 -1.328 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)Cc2nnc[nH]2)C1 ZINC001015967201 656494405 /nfs/dbraw/zinc/49/44/05/656494405.db2.gz AFCXCRBFKMLDHO-RKDXNWHRSA-N 1 2 280.332 -1.328 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+]1CC[C@@H](NC(=O)Cc2nnc[nH]2)C1 ZINC001015967201 656494409 /nfs/dbraw/zinc/49/44/09/656494409.db2.gz AFCXCRBFKMLDHO-RKDXNWHRSA-N 1 2 280.332 -1.328 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC(N)=O ZINC001032323594 656494668 /nfs/dbraw/zinc/49/46/68/656494668.db2.gz IGJLBJHEYCJZEB-FXQIFTODSA-N 1 2 254.290 -1.979 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC(N)=O ZINC001032323594 656494671 /nfs/dbraw/zinc/49/46/71/656494671.db2.gz IGJLBJHEYCJZEB-FXQIFTODSA-N 1 2 254.290 -1.979 20 0 CAADLO NC(=O)CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@@H]1CCNC1=O ZINC001032323669 656494835 /nfs/dbraw/zinc/49/48/35/656494835.db2.gz KIJDCJLUHKTRAO-XHNCKOQMSA-N 1 2 266.301 -1.965 20 0 CAADLO NC(=O)CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2[C@@H]1CCNC1=O ZINC001032323669 656494841 /nfs/dbraw/zinc/49/48/41/656494841.db2.gz KIJDCJLUHKTRAO-XHNCKOQMSA-N 1 2 266.301 -1.965 20 0 CAADLO CC[C@@H](C(N)=O)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC(N)=O ZINC001032324784 656495667 /nfs/dbraw/zinc/49/56/67/656495667.db2.gz WGBFAQIYCMKVLZ-CIUDSAMLSA-N 1 2 268.317 -1.589 20 0 CAADLO CC[C@@H](C(N)=O)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC(N)=O ZINC001032324784 656495674 /nfs/dbraw/zinc/49/56/74/656495674.db2.gz WGBFAQIYCMKVLZ-CIUDSAMLSA-N 1 2 268.317 -1.589 20 0 CAADLO CN1CC[C@@H]([N@@H+]2CC[C@@H](NC(=O)Cc3nnc[nH]3)C2)C1=O ZINC001015969600 656495799 /nfs/dbraw/zinc/49/57/99/656495799.db2.gz CKEUDHCAXGKHID-NXEZZACHSA-N 1 2 292.343 -1.232 20 0 CAADLO CN1CC[C@@H]([N@H+]2CC[C@@H](NC(=O)Cc3nnc[nH]3)C2)C1=O ZINC001015969600 656495806 /nfs/dbraw/zinc/49/58/06/656495806.db2.gz CKEUDHCAXGKHID-NXEZZACHSA-N 1 2 292.343 -1.232 20 0 CAADLO C[N@@H+]1CCO[C@H](C(=O)N2C[C@@H]3C[C@H]2CN3CC(N)=O)C1 ZINC001032333797 656495822 /nfs/dbraw/zinc/49/58/22/656495822.db2.gz WGOLGPBNOIZOQY-DCAQKATOSA-N 1 2 282.344 -1.913 20 0 CAADLO C[N@H+]1CCO[C@H](C(=O)N2C[C@@H]3C[C@H]2CN3CC(N)=O)C1 ZINC001032333797 656495826 /nfs/dbraw/zinc/49/58/26/656495826.db2.gz WGOLGPBNOIZOQY-DCAQKATOSA-N 1 2 282.344 -1.913 20 0 CAADLO CNC(=O)CN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001032331440 656496026 /nfs/dbraw/zinc/49/60/26/656496026.db2.gz CYKDPZNGWLZSSC-SDDRHHMPSA-N 1 2 296.371 -1.652 20 0 CAADLO CNC(=O)CN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001032331440 656496031 /nfs/dbraw/zinc/49/60/31/656496031.db2.gz CYKDPZNGWLZSSC-SDDRHHMPSA-N 1 2 296.371 -1.652 20 0 CAADLO CN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)Cc3nnc[nH]3)C2)C1=O ZINC001015969602 656496074 /nfs/dbraw/zinc/49/60/74/656496074.db2.gz CKEUDHCAXGKHID-VHSXEESVSA-N 1 2 292.343 -1.232 20 0 CAADLO CN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)Cc3nnc[nH]3)C2)C1=O ZINC001015969602 656496077 /nfs/dbraw/zinc/49/60/77/656496077.db2.gz CKEUDHCAXGKHID-VHSXEESVSA-N 1 2 292.343 -1.232 20 0 CAADLO CN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)Cc3nnc[nH]3)C2)C1=O ZINC001015969601 656496267 /nfs/dbraw/zinc/49/62/67/656496267.db2.gz CKEUDHCAXGKHID-UWVGGRQHSA-N 1 2 292.343 -1.232 20 0 CAADLO CN1CC[C@H]([N@H+]2CC[C@H](NC(=O)Cc3nnc[nH]3)C2)C1=O ZINC001015969601 656496270 /nfs/dbraw/zinc/49/62/70/656496270.db2.gz CKEUDHCAXGKHID-UWVGGRQHSA-N 1 2 292.343 -1.232 20 0 CAADLO CC[C@H](C(N)=O)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1ncnn1 ZINC001032406323 656501115 /nfs/dbraw/zinc/50/11/15/656501115.db2.gz MLGHHKWDFCCHTA-LPEHRKFASA-N 1 2 293.331 -1.778 20 0 CAADLO CC[C@H](C(N)=O)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1ncnn1 ZINC001032406323 656501123 /nfs/dbraw/zinc/50/11/23/656501123.db2.gz MLGHHKWDFCCHTA-LPEHRKFASA-N 1 2 293.331 -1.778 20 0 CAADLO O=C(Cc1c[nH+]c[nH]1)N1CC(NC(=O)[C@@H]2CCC(=O)N2)C1 ZINC000997117408 656501979 /nfs/dbraw/zinc/50/19/79/656501979.db2.gz IFRVWRQCFXRMTL-JTQLQIEISA-N 1 2 291.311 -1.442 20 0 CAADLO NC(=O)C[NH2+]C1CCN(C(=O)Cc2ncn[nH]2)CC1 ZINC000997161733 656502464 /nfs/dbraw/zinc/50/24/64/656502464.db2.gz RGQBCMCURILRPM-UHFFFAOYSA-N 1 2 266.305 -1.587 20 0 CAADLO O=C(Cc1ncn[nH]1)N1CCC([NH2+][C@@H]2CCNC2=O)CC1 ZINC000997162443 656502759 /nfs/dbraw/zinc/50/27/59/656502759.db2.gz VIHRFHOLYCHIHD-SNVBAGLBSA-N 1 2 292.343 -1.184 20 0 CAADLO O=C(Cc1ncn[nH]1)N1CCC([NH2+][C@H]2CCNC2=O)CC1 ZINC000997162436 656503365 /nfs/dbraw/zinc/50/33/65/656503365.db2.gz VIHRFHOLYCHIHD-JTQLQIEISA-N 1 2 292.343 -1.184 20 0 CAADLO O=C(Cc1[nH]cc[nH+]1)N1CC(NC(=O)[C@H]2CCNC2=O)C1 ZINC000997430449 656511603 /nfs/dbraw/zinc/51/16/03/656511603.db2.gz TZBVMZPHMCQQBM-VIFPVBQESA-N 1 2 291.311 -1.585 20 0 CAADLO O=C(C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC(=O)N2)C1)NC1CC1 ZINC001016032363 656514152 /nfs/dbraw/zinc/51/41/52/656514152.db2.gz YJBGQEYJGYLQPA-QWRGUYRKSA-N 1 2 294.355 -1.266 20 0 CAADLO O=C(C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC(=O)N2)C1)NC1CC1 ZINC001016032363 656514159 /nfs/dbraw/zinc/51/41/59/656514159.db2.gz YJBGQEYJGYLQPA-QWRGUYRKSA-N 1 2 294.355 -1.266 20 0 CAADLO Cc1c[nH+]cn1CC(=O)N1CC(NC(=O)c2nnc[nH]2)C1 ZINC000997817866 656518331 /nfs/dbraw/zinc/51/83/31/656518331.db2.gz SFTHDDJILLTGPU-UHFFFAOYSA-N 1 2 289.299 -1.050 20 0 CAADLO Cc1c[nH+]cn1CC(=O)N1CC(NC(=O)c2ncn[nH]2)C1 ZINC000997817866 656518334 /nfs/dbraw/zinc/51/83/34/656518334.db2.gz SFTHDDJILLTGPU-UHFFFAOYSA-N 1 2 289.299 -1.050 20 0 CAADLO Cc1c[nH+]cn1CC(=O)N1CC(NC(=O)c2nc[nH]n2)C1 ZINC000997817866 656518339 /nfs/dbraw/zinc/51/83/39/656518339.db2.gz SFTHDDJILLTGPU-UHFFFAOYSA-N 1 2 289.299 -1.050 20 0 CAADLO Cn1nnc(C(=O)NC2CN(C(=O)Cc3[nH]cc[nH+]3)C2)n1 ZINC000997866996 656520432 /nfs/dbraw/zinc/52/04/32/656520432.db2.gz BTAGBQZXGMUVJA-UHFFFAOYSA-N 1 2 290.287 -1.884 20 0 CAADLO Cn1nnc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3[C@@H]2CCNC2=O)n1 ZINC001032574029 656521847 /nfs/dbraw/zinc/52/18/47/656521847.db2.gz YIMGQVUMEFNXTF-XHNCKOQMSA-N 1 2 291.315 -2.003 20 0 CAADLO Cn1nnc(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3[C@@H]2CCNC2=O)n1 ZINC001032574029 656521850 /nfs/dbraw/zinc/52/18/50/656521850.db2.gz YIMGQVUMEFNXTF-XHNCKOQMSA-N 1 2 291.315 -2.003 20 0 CAADLO NC(=O)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCN1CCNC1=O ZINC001032598725 656526441 /nfs/dbraw/zinc/52/64/41/656526441.db2.gz SUAMODJYMHTZEM-IUCAKERBSA-N 1 2 281.316 -2.218 20 0 CAADLO NC(=O)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCN1CCNC1=O ZINC001032598725 656526448 /nfs/dbraw/zinc/52/64/48/656526448.db2.gz SUAMODJYMHTZEM-IUCAKERBSA-N 1 2 281.316 -2.218 20 0 CAADLO Cn1c[nH+]cc1CC(=O)N1CC(NC(=O)c2cnon2)C1 ZINC000998219046 656528687 /nfs/dbraw/zinc/52/86/87/656528687.db2.gz OPJJLWAGINDBLS-UHFFFAOYSA-N 1 2 290.283 -1.014 20 0 CAADLO O=C(Cc1[nH]cc[nH+]1)N1CC(NC(=O)c2cnon2)C1 ZINC000998224668 656528932 /nfs/dbraw/zinc/52/89/32/656528932.db2.gz ZWRNPOMJDXRGTN-UHFFFAOYSA-N 1 2 276.256 -1.024 20 0 CAADLO O=C(Cc1[nH]cc[nH+]1)NC1CN(C(=O)[C@@H]2COCCO2)C1 ZINC000998384603 656531853 /nfs/dbraw/zinc/53/18/53/656531853.db2.gz UYXZODBGJREEKS-JTQLQIEISA-N 1 2 294.311 -1.305 20 0 CAADLO O=C(Cc1[nH]cc[nH+]1)NC1CN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC000998381626 656531948 /nfs/dbraw/zinc/53/19/48/656531948.db2.gz CEBPOBWWYSMXGR-QMMMGPOBSA-N 1 2 292.299 -2.039 20 0 CAADLO NC(=O)[C@@H]1C[C@@H]1C(=O)N1CC(NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000998386847 656532212 /nfs/dbraw/zinc/53/22/12/656532212.db2.gz MWVIKLPGRHLGTM-BDAKNGLRSA-N 1 2 291.311 -1.599 20 0 CAADLO CC(C)(C(N)=O)C(=O)N1CC(NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000998385860 656533433 /nfs/dbraw/zinc/53/34/33/656533433.db2.gz FCZFNELNSMLEGL-UHFFFAOYSA-N 1 2 293.327 -1.209 20 0 CAADLO O=C(Cc1[nH]cc[nH+]1)NC1CN(C(=O)c2nc[nH]n2)C1 ZINC000998383595 656533483 /nfs/dbraw/zinc/53/34/83/656533483.db2.gz QYXYYJKVBLQJEN-UHFFFAOYSA-N 1 2 275.272 -1.289 20 0 CAADLO O=C(Cc1[nH]cc[nH+]1)NC1CN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC000998381623 656533605 /nfs/dbraw/zinc/53/36/05/656533605.db2.gz CEBPOBWWYSMXGR-MRVPVSSYSA-N 1 2 292.299 -2.039 20 0 CAADLO O=C(Cn1cc[nH+]c1)N1CC(NC(=O)[C@H]2CNC(=O)N2)C1 ZINC000998679234 656540775 /nfs/dbraw/zinc/54/07/75/656540775.db2.gz MWMKCBQTVBTZSV-SECBINFHSA-N 1 2 292.299 -2.109 20 0 CAADLO O=C(Cc1c[nH+]c[nH]1)N1CC(NC(=O)[C@H]2CNC(=O)N2)C1 ZINC000998680048 656541524 /nfs/dbraw/zinc/54/15/24/656541524.db2.gz UZOLXYUCMHUYAS-SECBINFHSA-N 1 2 292.299 -2.039 20 0 CAADLO NC(=O)C(=O)NC1CN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000998714559 656549915 /nfs/dbraw/zinc/54/99/15/656549915.db2.gz JROWKKYKKSLEPB-QMMMGPOBSA-N 1 2 291.311 -1.742 20 0 CAADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC(NC(=O)C(N)=O)C1 ZINC000998723894 656557077 /nfs/dbraw/zinc/55/70/77/656557077.db2.gz YBJQTFNOVBPXEH-SSDOTTSWSA-N 1 2 279.300 -1.599 20 0 CAADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC(NC(=O)C(N)=O)C1 ZINC000998723894 656557087 /nfs/dbraw/zinc/55/70/87/656557087.db2.gz YBJQTFNOVBPXEH-SSDOTTSWSA-N 1 2 279.300 -1.599 20 0 CAADLO Cc1cn(C(C)(C)C(=O)N2CC(NC(=O)C(N)=O)C2)c[nH+]1 ZINC000998724088 656557278 /nfs/dbraw/zinc/55/72/78/656557278.db2.gz BIBMSRKZBGXBHC-UHFFFAOYSA-N 1 2 293.327 -1.261 20 0 CAADLO COc1cc[nH+]cc1CC(=O)N1CC(NC(=O)C(N)=O)C1 ZINC000998725952 656558562 /nfs/dbraw/zinc/55/85/62/656558562.db2.gz TYRGSTHPTIDSNL-UHFFFAOYSA-N 1 2 292.295 -1.555 20 0 CAADLO NC(=O)C(=O)NC1CN(C(=O)Cn2cc[nH+]c2)C1 ZINC000998725971 656559295 /nfs/dbraw/zinc/55/92/95/656559295.db2.gz UKQQLCRCDIBVNY-UHFFFAOYSA-N 1 2 251.246 -2.305 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCC(=O)N2C)C1 ZINC001016138158 656570065 /nfs/dbraw/zinc/57/00/65/656570065.db2.gz QEVOSAGMANZOEY-GHMZBOCLSA-N 1 2 296.371 -1.066 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CCCC(=O)N2C)C1 ZINC001016138158 656570078 /nfs/dbraw/zinc/57/00/78/656570078.db2.gz QEVOSAGMANZOEY-GHMZBOCLSA-N 1 2 296.371 -1.066 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC(=O)N2C)C1 ZINC001016138160 656570114 /nfs/dbraw/zinc/57/01/14/656570114.db2.gz QEVOSAGMANZOEY-MNOVXSKESA-N 1 2 296.371 -1.066 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC(=O)N2C)C1 ZINC001016138160 656570124 /nfs/dbraw/zinc/57/01/24/656570124.db2.gz QEVOSAGMANZOEY-MNOVXSKESA-N 1 2 296.371 -1.066 20 0 CAADLO CN1CC[C@H]([N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2nc[nH]n2)C1=O ZINC001032689638 656570657 /nfs/dbraw/zinc/57/06/57/656570657.db2.gz YKAGZEGOQUIQOZ-GUBZILKMSA-N 1 2 290.327 -1.066 20 0 CAADLO CN1CC[C@H]([N@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2nc[nH]n2)C1=O ZINC001032689638 656570670 /nfs/dbraw/zinc/57/06/70/656570670.db2.gz YKAGZEGOQUIQOZ-GUBZILKMSA-N 1 2 290.327 -1.066 20 0 CAADLO O=C(c1cnon1)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@@H]1CCNC1=O ZINC001032692096 656571981 /nfs/dbraw/zinc/57/19/81/656571981.db2.gz UNWNTVJNCPZNPE-OYNCUSHFSA-N 1 2 277.284 -1.143 20 0 CAADLO O=C(c1cnon1)N1C[C@@H]2C[C@H]1C[N@H+]2[C@@H]1CCNC1=O ZINC001032692096 656571988 /nfs/dbraw/zinc/57/19/88/656571988.db2.gz UNWNTVJNCPZNPE-OYNCUSHFSA-N 1 2 277.284 -1.143 20 0 CAADLO O=C(c1cnon1)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@H]1CCNC1=O ZINC001032692095 656572591 /nfs/dbraw/zinc/57/25/91/656572591.db2.gz UNWNTVJNCPZNPE-NRPADANISA-N 1 2 277.284 -1.143 20 0 CAADLO O=C(c1cnon1)N1C[C@@H]2C[C@H]1C[N@H+]2[C@H]1CCNC1=O ZINC001032692095 656572595 /nfs/dbraw/zinc/57/25/95/656572595.db2.gz UNWNTVJNCPZNPE-NRPADANISA-N 1 2 277.284 -1.143 20 0 CAADLO NC(=O)C(=O)N1CC(NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC000999354618 656574525 /nfs/dbraw/zinc/57/45/25/656574525.db2.gz JYOIIAYOIFYTAB-MRVPVSSYSA-N 1 2 291.311 -1.358 20 0 CAADLO NC(=O)C(=O)N1CC(NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC000999354619 656575861 /nfs/dbraw/zinc/57/58/61/656575861.db2.gz JYOIIAYOIFYTAB-QMMMGPOBSA-N 1 2 291.311 -1.358 20 0 CAADLO C[C@@H]([NH2+]C1CC(N(C)C(=O)Cc2ncn[nH]2)C1)C(N)=O ZINC000999661030 656580240 /nfs/dbraw/zinc/58/02/40/656580240.db2.gz RHIUMNQDUGFXGP-AFPNSQJFSA-N 1 2 280.332 -1.200 20 0 CAADLO Cn1nnnc1C[NH2+][C@H]1CCCN(C(=O)C(N)=O)C1 ZINC001000055840 656593780 /nfs/dbraw/zinc/59/37/80/656593780.db2.gz INSDZHYPOIDTCB-ZETCQYMHSA-N 1 2 267.293 -2.224 20 0 CAADLO Cc1nnc(C[NH2+][C@@H]2CCCN(C(=O)C(N)=O)C2)o1 ZINC001000059297 656593935 /nfs/dbraw/zinc/59/39/35/656593935.db2.gz VERLGEDZKVRRRY-MRVPVSSYSA-N 1 2 267.289 -1.056 20 0 CAADLO Cc1nonc1C[NH2+][C@H]1CCCN(C(=O)C(N)=O)C1 ZINC001000059724 656594341 /nfs/dbraw/zinc/59/43/41/656594341.db2.gz YGFVWIKACOMFMW-QMMMGPOBSA-N 1 2 267.289 -1.056 20 0 CAADLO CNC(=O)CN1C[C@@H]2C[C@H]1CN2C(=O)Cc1c[nH+]cn1C ZINC001032731182 656599190 /nfs/dbraw/zinc/59/91/90/656599190.db2.gz CMDRVLHAOHACNZ-RYUDHWBXSA-N 1 2 291.355 -1.006 20 0 CAADLO O=C(Cc1nc[nH]n1)NC1CN(C(=O)Cn2cc[nH+]c2)C1 ZINC001000183810 656599262 /nfs/dbraw/zinc/59/92/62/656599262.db2.gz AIEFGSVWYATVDM-UHFFFAOYSA-N 1 2 289.299 -1.429 20 0 CAADLO CC[C@H](C(N)=O)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC(=O)N1 ZINC001032742242 656600406 /nfs/dbraw/zinc/60/04/06/656600406.db2.gz HKRGTJXGYFUMEO-XWLWVQCSSA-N 1 2 294.355 -1.186 20 0 CAADLO CC[C@H](C(N)=O)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC(=O)N1 ZINC001032742242 656600413 /nfs/dbraw/zinc/60/04/13/656600413.db2.gz HKRGTJXGYFUMEO-XWLWVQCSSA-N 1 2 294.355 -1.186 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC(=O)N1 ZINC001032740771 656600854 /nfs/dbraw/zinc/60/08/54/656600854.db2.gz GVSODDJGMJRRPH-NAKRPEOUSA-N 1 2 294.355 -1.315 20 0 CAADLO CNC(=O)[C@H](C)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC(=O)N1 ZINC001032740771 656600859 /nfs/dbraw/zinc/60/08/59/656600859.db2.gz GVSODDJGMJRRPH-NAKRPEOUSA-N 1 2 294.355 -1.315 20 0 CAADLO CC[C@@H](C(N)=O)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC(=O)N1 ZINC001032742241 656600876 /nfs/dbraw/zinc/60/08/76/656600876.db2.gz HKRGTJXGYFUMEO-NAKRPEOUSA-N 1 2 294.355 -1.186 20 0 CAADLO CC[C@@H](C(N)=O)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC(=O)N1 ZINC001032742241 656600882 /nfs/dbraw/zinc/60/08/82/656600882.db2.gz HKRGTJXGYFUMEO-NAKRPEOUSA-N 1 2 294.355 -1.186 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1cncn1 ZINC001032769574 656603101 /nfs/dbraw/zinc/60/31/01/656603101.db2.gz NHRHVVPDTURKSF-VWYCJHECSA-N 1 2 292.343 -1.302 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1cncn1 ZINC001032769574 656603105 /nfs/dbraw/zinc/60/31/05/656603105.db2.gz NHRHVVPDTURKSF-VWYCJHECSA-N 1 2 292.343 -1.302 20 0 CAADLO O=C([C@@H]1CCCO1)N1CC[NH+](C[C@@H](O)CO)CC1 ZINC000929238872 656604178 /nfs/dbraw/zinc/60/41/78/656604178.db2.gz STTWYSJZUSYNSJ-MNOVXSKESA-N 1 2 258.318 -1.337 20 0 CAADLO O=C(Cc1c[nH]c[nH+]1)NC1CN(C(=O)[C@H]2COC(=O)N2)C1 ZINC001000561309 656608528 /nfs/dbraw/zinc/60/85/28/656608528.db2.gz FMOGVLUETPGRJL-SECBINFHSA-N 1 2 293.283 -1.612 20 0 CAADLO NC(=O)CC(=O)N1CC(NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001000559536 656609401 /nfs/dbraw/zinc/60/94/01/656609401.db2.gz MVVIRVFWKZLJCC-UHFFFAOYSA-N 1 2 265.273 -1.845 20 0 CAADLO Cn1cnc(C(=O)N2CC(NC(=O)Cc3c[nH]c[nH+]3)C2)n1 ZINC001000564172 656609603 /nfs/dbraw/zinc/60/96/03/656609603.db2.gz XWKIERGAKVLSMU-UHFFFAOYSA-N 1 2 289.299 -1.279 20 0 CAADLO C[C@@H]([NH2+][C@H]1CCCN(C(=O)Cc2ncn[nH]2)C1)C(N)=O ZINC001000644024 656610502 /nfs/dbraw/zinc/61/05/02/656610502.db2.gz LPBFZBKRYHFPOL-BDAKNGLRSA-N 1 2 280.332 -1.198 20 0 CAADLO C[C@H]([NH2+][C@@H]1CCCN(C(=O)Cc2ncn[nH]2)C1)C(N)=O ZINC001000644027 656610796 /nfs/dbraw/zinc/61/07/96/656610796.db2.gz LPBFZBKRYHFPOL-DTWKUNHWSA-N 1 2 280.332 -1.198 20 0 CAADLO CC(C)(C(N)=O)C(=O)N1CC(NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001000578357 656611403 /nfs/dbraw/zinc/61/14/03/656611403.db2.gz RIIABCCCIRSSDH-UHFFFAOYSA-N 1 2 293.327 -1.209 20 0 CAADLO NC(=O)C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1c[nH]c[nH+]1)C2 ZINC001000885875 656614117 /nfs/dbraw/zinc/61/41/17/656614117.db2.gz BBUICVIQVMOGDA-UTLUCORTSA-N 1 2 291.311 -1.314 20 0 CAADLO Cn1cc(C(=O)N[C@@H]2CC[N@H+](CC(N)=O)C2)c(=O)[nH]c1=O ZINC001016240651 656617457 /nfs/dbraw/zinc/61/74/57/656617457.db2.gz SIVDVPXQIWBOLG-SSDOTTSWSA-N 1 2 295.299 -2.225 20 0 CAADLO Cn1cc(C(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C2)c(=O)[nH]c1=O ZINC001016240651 656617461 /nfs/dbraw/zinc/61/74/61/656617461.db2.gz SIVDVPXQIWBOLG-SSDOTTSWSA-N 1 2 295.299 -2.225 20 0 CAADLO NC(=O)CN1C[C@@H]2C[C@H]1CN2C(=O)Cn1cc[nH+]c1 ZINC001032815441 656622259 /nfs/dbraw/zinc/62/22/59/656622259.db2.gz ZPKLKVOGRGDONG-UWVGGRQHSA-N 1 2 263.301 -1.347 20 0 CAADLO CNC(=O)C[NH+]1CCC(NC(=O)Cc2n[nH]c(C)n2)CC1 ZINC001002771525 656632662 /nfs/dbraw/zinc/63/26/62/656632662.db2.gz HFXDKTAFFBSTDD-UHFFFAOYSA-N 1 2 294.359 -1.018 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC(=O)N2C)C1 ZINC001032830010 656634032 /nfs/dbraw/zinc/63/40/32/656634032.db2.gz YWLBSNQVCNXYDE-LPEHRKFASA-N 1 2 282.344 -1.329 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)[C@H]2CCC(=O)N2C)C1 ZINC001032830010 656634038 /nfs/dbraw/zinc/63/40/38/656634038.db2.gz YWLBSNQVCNXYDE-LPEHRKFASA-N 1 2 282.344 -1.329 20 0 CAADLO NC(=O)C(=O)N1CC(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001002865177 656634800 /nfs/dbraw/zinc/63/48/00/656634800.db2.gz RLZFWYLHCHUIOP-RKDXNWHRSA-N 1 2 291.311 -1.427 20 0 CAADLO NC(=O)C(=O)N1CC(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001002865177 656634814 /nfs/dbraw/zinc/63/48/14/656634814.db2.gz RLZFWYLHCHUIOP-RKDXNWHRSA-N 1 2 291.311 -1.427 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001032831547 656635433 /nfs/dbraw/zinc/63/54/33/656635433.db2.gz SSKPMPCAUGCZOG-CSMHCCOUSA-N 1 2 297.315 -2.351 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001032831547 656635442 /nfs/dbraw/zinc/63/54/42/656635442.db2.gz SSKPMPCAUGCZOG-CSMHCCOUSA-N 1 2 297.315 -2.351 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC(=O)N2C)C1 ZINC001032829708 656636055 /nfs/dbraw/zinc/63/60/55/656636055.db2.gz YWLBSNQVCNXYDE-GUBZILKMSA-N 1 2 282.344 -1.329 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC(=O)N2C)C1 ZINC001032829708 656636071 /nfs/dbraw/zinc/63/60/71/656636071.db2.gz YWLBSNQVCNXYDE-GUBZILKMSA-N 1 2 282.344 -1.329 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCN2C(C)=O)C1 ZINC001016349134 656637694 /nfs/dbraw/zinc/63/76/94/656637694.db2.gz NIDKXCRAAFAGMF-NWDGAFQWSA-N 1 2 296.371 -1.066 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCCN2C(C)=O)C1 ZINC001016349134 656637704 /nfs/dbraw/zinc/63/77/04/656637704.db2.gz NIDKXCRAAFAGMF-NWDGAFQWSA-N 1 2 296.371 -1.066 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cn(C)c(=O)n2C)C1 ZINC001016352993 656641576 /nfs/dbraw/zinc/64/15/76/656641576.db2.gz FDECLMVWXSRDRI-SECBINFHSA-N 1 2 295.343 -1.726 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cn(C)c(=O)n2C)C1 ZINC001016352993 656641591 /nfs/dbraw/zinc/64/15/91/656641591.db2.gz FDECLMVWXSRDRI-SECBINFHSA-N 1 2 295.343 -1.726 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCN2C(N)=O)C1 ZINC001032833878 656643299 /nfs/dbraw/zinc/64/32/99/656643299.db2.gz BSNWMNKXCRZMFB-UTLUCORTSA-N 1 2 297.359 -1.406 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCN2C(N)=O)C1 ZINC001032833878 656643309 /nfs/dbraw/zinc/64/33/09/656643309.db2.gz BSNWMNKXCRZMFB-UTLUCORTSA-N 1 2 297.359 -1.406 20 0 CAADLO C[C@@H](C(N)=O)[NH+]1CCC(NC(=O)c2cn[nH]n2)CC1 ZINC001003231810 656645544 /nfs/dbraw/zinc/64/55/44/656645544.db2.gz QOJOOGMMQPTWHR-ZETCQYMHSA-N 1 2 266.305 -1.127 20 0 CAADLO C[C@@H](C(N)=O)[NH+]1CCC(NC(=O)c2cnn[nH]2)CC1 ZINC001003231810 656645558 /nfs/dbraw/zinc/64/55/58/656645558.db2.gz QOJOOGMMQPTWHR-ZETCQYMHSA-N 1 2 266.305 -1.127 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCC(=O)N2)C1 ZINC001032837326 656646055 /nfs/dbraw/zinc/64/60/55/656646055.db2.gz IHBWBBXJFVPGQP-IVZWLZJFSA-N 1 2 282.344 -1.281 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)[C@H]2CCCC(=O)N2)C1 ZINC001032837326 656646067 /nfs/dbraw/zinc/64/60/67/656646067.db2.gz IHBWBBXJFVPGQP-IVZWLZJFSA-N 1 2 282.344 -1.281 20 0 CAADLO O=C(Cn1cc[nH+]c1)N1CC(CNC(=O)c2cn[nH]n2)C1 ZINC001003118190 656647510 /nfs/dbraw/zinc/64/75/10/656647510.db2.gz DJZPNRRKYQENIK-UHFFFAOYSA-N 1 2 289.299 -1.110 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCC(=O)N2C)C1 ZINC001032839465 656649179 /nfs/dbraw/zinc/64/91/79/656649179.db2.gz YWLBSNQVCNXYDE-BBBLOLIVSA-N 1 2 282.344 -1.329 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCC(=O)N2C)C1 ZINC001032839465 656649191 /nfs/dbraw/zinc/64/91/91/656649191.db2.gz YWLBSNQVCNXYDE-BBBLOLIVSA-N 1 2 282.344 -1.329 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCC(=O)N2C)C1 ZINC001032839954 656649855 /nfs/dbraw/zinc/64/98/55/656649855.db2.gz YWLBSNQVCNXYDE-IVZWLZJFSA-N 1 2 282.344 -1.329 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)[C@H]2CCC(=O)N2C)C1 ZINC001032839954 656649859 /nfs/dbraw/zinc/64/98/59/656649859.db2.gz YWLBSNQVCNXYDE-IVZWLZJFSA-N 1 2 282.344 -1.329 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCC(=O)N2C)C1 ZINC001032839464 656650089 /nfs/dbraw/zinc/65/00/89/656650089.db2.gz YWLBSNQVCNXYDE-AEJSXWLSSA-N 1 2 282.344 -1.329 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCC(=O)N2C)C1 ZINC001032839464 656650096 /nfs/dbraw/zinc/65/00/96/656650096.db2.gz YWLBSNQVCNXYDE-AEJSXWLSSA-N 1 2 282.344 -1.329 20 0 CAADLO Cn1nnnc1CN1CC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001016395351 656651842 /nfs/dbraw/zinc/65/18/42/656651842.db2.gz YUOAINOHJCILCI-JTQLQIEISA-N 1 2 290.331 -1.203 20 0 CAADLO Cc1nonc1C[NH+]1CCC(NC(=O)C(N)=O)CC1 ZINC001003535366 656653408 /nfs/dbraw/zinc/65/34/08/656653408.db2.gz SENFNGKYYSBCRB-UHFFFAOYSA-N 1 2 267.289 -1.056 20 0 CAADLO Cc1nnc(C[NH+]2CCC(NC(=O)C(N)=O)CC2)o1 ZINC001003534998 656653571 /nfs/dbraw/zinc/65/35/71/656653571.db2.gz NJHRNBCXPMWDJD-UHFFFAOYSA-N 1 2 267.289 -1.056 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001032843267 656653859 /nfs/dbraw/zinc/65/38/59/656653859.db2.gz ZVNPZRZDTPGASG-HLTSFMKQSA-N 1 2 268.317 -1.671 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001032843267 656653866 /nfs/dbraw/zinc/65/38/66/656653866.db2.gz ZVNPZRZDTPGASG-HLTSFMKQSA-N 1 2 268.317 -1.671 20 0 CAADLO Cn1cc(C[NH+]2CCC(NC(=O)C(N)=O)CC2)nn1 ZINC001003540290 656655188 /nfs/dbraw/zinc/65/51/88/656655188.db2.gz RUWLNJNVBROMRO-UHFFFAOYSA-N 1 2 266.305 -1.619 20 0 CAADLO C[C@@H](c1nncn1C)[NH+]1CCC(NC(=O)C(N)=O)CC1 ZINC001003540037 656657218 /nfs/dbraw/zinc/65/72/18/656657218.db2.gz QFASAHVZBCFKCG-QMMMGPOBSA-N 1 2 280.332 -1.058 20 0 CAADLO NC(=O)C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1cc[nH+]c1)C2 ZINC001003746474 656663541 /nfs/dbraw/zinc/66/35/41/656663541.db2.gz UKCJQPKDRFFUNE-BBBLOLIVSA-N 1 2 291.311 -1.384 20 0 CAADLO CCC(=O)N(C)[C@H]1CC[N@H+](CC(=O)N2CCNC(=O)C2)C1 ZINC001032848708 656663627 /nfs/dbraw/zinc/66/36/27/656663627.db2.gz DYVCWSQCOFNOSB-NSHDSACASA-N 1 2 296.371 -1.113 20 0 CAADLO CCC(=O)N(C)[C@H]1CC[N@@H+](CC(=O)N2CCNC(=O)C2)C1 ZINC001032848708 656663632 /nfs/dbraw/zinc/66/36/32/656663632.db2.gz DYVCWSQCOFNOSB-NSHDSACASA-N 1 2 296.371 -1.113 20 0 CAADLO C[C@H](C(N)=O)[NH+]1CCC(NC(=O)c2nnc[nH]2)CC1 ZINC001003813760 656663857 /nfs/dbraw/zinc/66/38/57/656663857.db2.gz KTZJTAAUHOQVFP-SSDOTTSWSA-N 1 2 266.305 -1.127 20 0 CAADLO C[C@H](C(N)=O)[NH+]1CCC(NC(=O)c2ncn[nH]2)CC1 ZINC001003813760 656663862 /nfs/dbraw/zinc/66/38/62/656663862.db2.gz KTZJTAAUHOQVFP-SSDOTTSWSA-N 1 2 266.305 -1.127 20 0 CAADLO CN(C(=O)C1=COCCO1)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001032881158 656664856 /nfs/dbraw/zinc/66/48/56/656664856.db2.gz TXGXCFYWWVFUOS-SECBINFHSA-N 1 2 269.301 -1.107 20 0 CAADLO CN(C(=O)C1=COCCO1)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001032881158 656664859 /nfs/dbraw/zinc/66/48/59/656664859.db2.gz TXGXCFYWWVFUOS-SECBINFHSA-N 1 2 269.301 -1.107 20 0 CAADLO CN(C(=O)CN1CCCC1=O)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001032904049 656666034 /nfs/dbraw/zinc/66/60/34/656666034.db2.gz JNVSXFNRUQNCSR-JTQLQIEISA-N 1 2 282.344 -1.373 20 0 CAADLO CN(C(=O)CN1CCCC1=O)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001032904049 656666027 /nfs/dbraw/zinc/66/60/27/656666027.db2.gz JNVSXFNRUQNCSR-JTQLQIEISA-N 1 2 282.344 -1.373 20 0 CAADLO CN(C(=O)Cn1cccn1)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001032905739 656667600 /nfs/dbraw/zinc/66/76/00/656667600.db2.gz OBZSYGHSUDYICQ-SNVBAGLBSA-N 1 2 265.317 -1.099 20 0 CAADLO CN(C(=O)Cn1cccn1)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001032905739 656667608 /nfs/dbraw/zinc/66/76/08/656667608.db2.gz OBZSYGHSUDYICQ-SNVBAGLBSA-N 1 2 265.317 -1.099 20 0 CAADLO CN(C(=O)[C@H]1CCC(=O)N1)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001032964772 656668002 /nfs/dbraw/zinc/66/80/02/656668002.db2.gz ROYQJQYSGDDMJI-RKDXNWHRSA-N 1 2 268.317 -1.717 20 0 CAADLO CN(C(=O)[C@H]1CCC(=O)N1)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001032964772 656668010 /nfs/dbraw/zinc/66/80/10/656668010.db2.gz ROYQJQYSGDDMJI-RKDXNWHRSA-N 1 2 268.317 -1.717 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2COCCO2)C1 ZINC001032925654 656668175 /nfs/dbraw/zinc/66/81/75/656668175.db2.gz OROJYLCDMNIOPY-QWRGUYRKSA-N 1 2 285.344 -1.320 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2COCCO2)C1 ZINC001032925654 656668188 /nfs/dbraw/zinc/66/81/88/656668188.db2.gz OROJYLCDMNIOPY-QWRGUYRKSA-N 1 2 285.344 -1.320 20 0 CAADLO O=C(Cc1nnc[nH]1)NC1CC[NH+]([C@H]2CCNC2=O)CC1 ZINC001003930059 656668690 /nfs/dbraw/zinc/66/86/90/656668690.db2.gz HEHDCRVSAQNFGM-JTQLQIEISA-N 1 2 292.343 -1.184 20 0 CAADLO CN(C(=O)CN1CN=NC1=O)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001033024568 656671997 /nfs/dbraw/zinc/67/19/97/656671997.db2.gz YYXHXNWJXLBCJT-MRVPVSSYSA-N 1 2 282.304 -1.998 20 0 CAADLO CN(C(=O)CN1CN=NC1=O)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033024568 656672012 /nfs/dbraw/zinc/67/20/12/656672012.db2.gz YYXHXNWJXLBCJT-MRVPVSSYSA-N 1 2 282.304 -1.998 20 0 CAADLO CN(C(=O)[C@@H]1COCCN1C)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001033020952 656672111 /nfs/dbraw/zinc/67/21/11/656672111.db2.gz NBPIENSJESKZCF-MNOVXSKESA-N 1 2 284.360 -1.665 20 0 CAADLO CN(C(=O)[C@@H]1COCCN1C)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033020952 656672119 /nfs/dbraw/zinc/67/21/19/656672119.db2.gz NBPIENSJESKZCF-MNOVXSKESA-N 1 2 284.360 -1.665 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)c2cnn(C)c2N)C1 ZINC001033025848 656672176 /nfs/dbraw/zinc/67/21/76/656672176.db2.gz QCESIHJODKLYER-SECBINFHSA-N 1 2 294.359 -1.105 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)c2cnn(C)c2N)C1 ZINC001033025848 656672183 /nfs/dbraw/zinc/67/21/83/656672183.db2.gz QCESIHJODKLYER-SECBINFHSA-N 1 2 294.359 -1.105 20 0 CAADLO CN(C(=O)CN1CCOCC1)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001033014749 656673305 /nfs/dbraw/zinc/67/33/05/656673305.db2.gz CBKGADXAKPVZAP-LLVKDONJSA-N 1 2 284.360 -1.663 20 0 CAADLO CN(C(=O)CN1CCOCC1)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033014749 656673314 /nfs/dbraw/zinc/67/33/14/656673314.db2.gz CBKGADXAKPVZAP-LLVKDONJSA-N 1 2 284.360 -1.663 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)c2cnn(C)c2N)C1 ZINC001033025849 656673546 /nfs/dbraw/zinc/67/35/46/656673546.db2.gz QCESIHJODKLYER-VIFPVBQESA-N 1 2 294.359 -1.105 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](N(C)C(=O)c2cnn(C)c2N)C1 ZINC001033025849 656673553 /nfs/dbraw/zinc/67/35/53/656673553.db2.gz QCESIHJODKLYER-VIFPVBQESA-N 1 2 294.359 -1.105 20 0 CAADLO CN(C(=O)c1cnn(C)c1N)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001033026580 656673853 /nfs/dbraw/zinc/67/38/53/656673853.db2.gz XPTCIOPXLGFZFY-QMMMGPOBSA-N 1 2 280.332 -1.366 20 0 CAADLO CN(C(=O)c1cnn(C)c1N)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033026580 656673863 /nfs/dbraw/zinc/67/38/63/656673863.db2.gz XPTCIOPXLGFZFY-QMMMGPOBSA-N 1 2 280.332 -1.366 20 0 CAADLO CN(C(=O)c1cnn(C)c1N)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001033026579 656674133 /nfs/dbraw/zinc/67/41/33/656674133.db2.gz XPTCIOPXLGFZFY-MRVPVSSYSA-N 1 2 280.332 -1.366 20 0 CAADLO CN(C(=O)c1cnn(C)c1N)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033026579 656674145 /nfs/dbraw/zinc/67/41/45/656674145.db2.gz XPTCIOPXLGFZFY-MRVPVSSYSA-N 1 2 280.332 -1.366 20 0 CAADLO CN(C(=O)[C@@H]1COC(=O)N1)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001033047992 656674984 /nfs/dbraw/zinc/67/49/84/656674984.db2.gz RZJPFKYJWLCODI-YUMQZZPRSA-N 1 2 270.289 -1.887 20 0 CAADLO CN(C(=O)[C@@H]1COC(=O)N1)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033047992 656675006 /nfs/dbraw/zinc/67/50/06/656675006.db2.gz RZJPFKYJWLCODI-YUMQZZPRSA-N 1 2 270.289 -1.887 20 0 CAADLO CC(=O)N1CC(C(=O)N(C)[C@@H]2CC[N@H+](CC(N)=O)C2)C1 ZINC001033036835 656676578 /nfs/dbraw/zinc/67/65/78/656676578.db2.gz APSLVDKOAZAQPE-LLVKDONJSA-N 1 2 282.344 -1.517 20 0 CAADLO CC(=O)N1CC(C(=O)N(C)[C@@H]2CC[N@@H+](CC(N)=O)C2)C1 ZINC001033036835 656676584 /nfs/dbraw/zinc/67/65/84/656676584.db2.gz APSLVDKOAZAQPE-LLVKDONJSA-N 1 2 282.344 -1.517 20 0 CAADLO CN(C(=O)c1cc(=O)n(C)o1)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001033041963 656676732 /nfs/dbraw/zinc/67/67/32/656676732.db2.gz RBGDNKVJZHFDBT-QMMMGPOBSA-N 1 2 282.300 -1.390 20 0 CAADLO CN(C(=O)c1cc(=O)n(C)o1)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033041963 656676736 /nfs/dbraw/zinc/67/67/36/656676736.db2.gz RBGDNKVJZHFDBT-QMMMGPOBSA-N 1 2 282.300 -1.390 20 0 CAADLO CN(C(=O)[C@H]1COC(=O)N1)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001033047990 656677065 /nfs/dbraw/zinc/67/70/65/656677065.db2.gz RZJPFKYJWLCODI-JGVFFNPUSA-N 1 2 270.289 -1.887 20 0 CAADLO CN(C(=O)[C@H]1COC(=O)N1)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033047990 656677075 /nfs/dbraw/zinc/67/70/75/656677075.db2.gz RZJPFKYJWLCODI-JGVFFNPUSA-N 1 2 270.289 -1.887 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CC[C@H](N(C)C(=O)c2cn(C)nn2)C1 ZINC001033055288 656677642 /nfs/dbraw/zinc/67/76/42/656677642.db2.gz UPNXGVJJHXHESB-BDAKNGLRSA-N 1 2 280.332 -1.165 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CC[C@H](N(C)C(=O)c2cn(C)nn2)C1 ZINC001033055288 656677651 /nfs/dbraw/zinc/67/76/51/656677651.db2.gz UPNXGVJJHXHESB-BDAKNGLRSA-N 1 2 280.332 -1.165 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)c2ncn(C)n2)C1 ZINC001033062529 656677689 /nfs/dbraw/zinc/67/76/89/656677689.db2.gz GUOHGMKOXOAWDP-VIFPVBQESA-N 1 2 280.332 -1.293 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](N(C)C(=O)c2ncn(C)n2)C1 ZINC001033062529 656677694 /nfs/dbraw/zinc/67/76/94/656677694.db2.gz GUOHGMKOXOAWDP-VIFPVBQESA-N 1 2 280.332 -1.293 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CC[C@H](N(C)C(=O)c2ncn(C)n2)C1 ZINC001033063225 656678117 /nfs/dbraw/zinc/67/81/17/656678117.db2.gz VWSODUVOJOENKS-IUCAKERBSA-N 1 2 280.332 -1.165 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CC[C@H](N(C)C(=O)c2ncn(C)n2)C1 ZINC001033063225 656678129 /nfs/dbraw/zinc/67/81/29/656678129.db2.gz VWSODUVOJOENKS-IUCAKERBSA-N 1 2 280.332 -1.165 20 0 CAADLO CN(C(=O)c1ncn(C)n1)[C@@H]1CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001033061352 656678212 /nfs/dbraw/zinc/67/82/12/656678212.db2.gz KKWRSXVSFVHFGV-ZJUUUORDSA-N 1 2 292.343 -1.150 20 0 CAADLO CN(C(=O)c1ncn(C)n1)[C@@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001033061352 656678225 /nfs/dbraw/zinc/67/82/25/656678225.db2.gz KKWRSXVSFVHFGV-ZJUUUORDSA-N 1 2 292.343 -1.150 20 0 CAADLO CN(C(=O)c1ncn(C)n1)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001033061960 656678326 /nfs/dbraw/zinc/67/83/26/656678326.db2.gz WNOHVXQVLMXAEX-MRVPVSSYSA-N 1 2 266.305 -1.553 20 0 CAADLO CN(C(=O)c1ncn(C)n1)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033061960 656678342 /nfs/dbraw/zinc/67/83/42/656678342.db2.gz WNOHVXQVLMXAEX-MRVPVSSYSA-N 1 2 266.305 -1.553 20 0 CAADLO CCn1nncc1C(=O)N(C)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001033059010 656678636 /nfs/dbraw/zinc/67/86/36/656678636.db2.gz YNBCYCDKEZCDSJ-SECBINFHSA-N 1 2 280.332 -1.070 20 0 CAADLO CCn1nncc1C(=O)N(C)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033059010 656678649 /nfs/dbraw/zinc/67/86/49/656678649.db2.gz YNBCYCDKEZCDSJ-SECBINFHSA-N 1 2 280.332 -1.070 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CC[C@@H](N(C)C(=O)c2cn(C)nn2)C1 ZINC001033055292 656678672 /nfs/dbraw/zinc/67/86/72/656678672.db2.gz UPNXGVJJHXHESB-RKDXNWHRSA-N 1 2 280.332 -1.165 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CC[C@@H](N(C)C(=O)c2cn(C)nn2)C1 ZINC001033055292 656678683 /nfs/dbraw/zinc/67/86/83/656678683.db2.gz UPNXGVJJHXHESB-RKDXNWHRSA-N 1 2 280.332 -1.165 20 0 CAADLO CN(C(=O)c1ncn(C)n1)[C@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001033061351 656678936 /nfs/dbraw/zinc/67/89/36/656678936.db2.gz KKWRSXVSFVHFGV-VHSXEESVSA-N 1 2 292.343 -1.150 20 0 CAADLO CN(C(=O)c1ncn(C)n1)[C@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001033061351 656678948 /nfs/dbraw/zinc/67/89/48/656678948.db2.gz KKWRSXVSFVHFGV-VHSXEESVSA-N 1 2 292.343 -1.150 20 0 CAADLO CCn1ncc(C(=O)N(C)[C@@H]2CC[N@H+](CC(N)=O)C2)n1 ZINC001033061198 656679365 /nfs/dbraw/zinc/67/93/65/656679365.db2.gz GUTASBXTULSQSY-SECBINFHSA-N 1 2 280.332 -1.070 20 0 CAADLO CCn1ncc(C(=O)N(C)[C@@H]2CC[N@@H+](CC(N)=O)C2)n1 ZINC001033061198 656679374 /nfs/dbraw/zinc/67/93/74/656679374.db2.gz GUTASBXTULSQSY-SECBINFHSA-N 1 2 280.332 -1.070 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CC[C@@H](N(C)C(=O)c2cn(C)nn2)C1 ZINC001033055289 656679713 /nfs/dbraw/zinc/67/97/13/656679713.db2.gz UPNXGVJJHXHESB-DTWKUNHWSA-N 1 2 280.332 -1.165 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CC[C@@H](N(C)C(=O)c2cn(C)nn2)C1 ZINC001033055289 656679730 /nfs/dbraw/zinc/67/97/30/656679730.db2.gz UPNXGVJJHXHESB-DTWKUNHWSA-N 1 2 280.332 -1.165 20 0 CAADLO CN(C(=O)c1cnnn1C)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001033059521 656680293 /nfs/dbraw/zinc/68/02/93/656680293.db2.gz YXKQKZLRZWZYKT-MRVPVSSYSA-N 1 2 266.305 -1.553 20 0 CAADLO CN(C(=O)c1cnnn1C)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033059521 656680301 /nfs/dbraw/zinc/68/03/01/656680301.db2.gz YXKQKZLRZWZYKT-MRVPVSSYSA-N 1 2 266.305 -1.553 20 0 CAADLO CN(C(=O)Cn1ncnn1)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001033088557 656681711 /nfs/dbraw/zinc/68/17/11/656681711.db2.gz VUPWEEJZDFRXPE-QMMMGPOBSA-N 1 2 267.293 -2.309 20 0 CAADLO CN(C(=O)Cn1ncnn1)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033088557 656681721 /nfs/dbraw/zinc/68/17/21/656681721.db2.gz VUPWEEJZDFRXPE-QMMMGPOBSA-N 1 2 267.293 -2.309 20 0 CAADLO C[C@H]1CC(=O)N[C@@H](C(=O)N(C)[C@H]2CC[N@H+](CC(N)=O)C2)C1 ZINC001033085776 656681973 /nfs/dbraw/zinc/68/19/73/656681973.db2.gz WXSCVZDPFMLCJW-OUAUKWLOSA-N 1 2 296.371 -1.081 20 0 CAADLO C[C@H]1CC(=O)N[C@@H](C(=O)N(C)[C@H]2CC[N@@H+](CC(N)=O)C2)C1 ZINC001033085776 656681984 /nfs/dbraw/zinc/68/19/84/656681984.db2.gz WXSCVZDPFMLCJW-OUAUKWLOSA-N 1 2 296.371 -1.081 20 0 CAADLO CN(C(=O)Cc1ccn(C)n1)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001033075822 656683266 /nfs/dbraw/zinc/68/32/66/656683266.db2.gz PWNHNOZNCOFAGG-NSHDSACASA-N 1 2 279.344 -1.019 20 0 CAADLO CN(C(=O)Cc1ccn(C)n1)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033075822 656683277 /nfs/dbraw/zinc/68/32/77/656683277.db2.gz PWNHNOZNCOFAGG-NSHDSACASA-N 1 2 279.344 -1.019 20 0 CAADLO CN(C(=O)C1CS(=O)(=O)C1)[C@@H]1CC[N@H+](CCO)C1 ZINC001033111240 656684227 /nfs/dbraw/zinc/68/42/27/656684227.db2.gz MIXZZEDKOAPESM-SNVBAGLBSA-N 1 2 276.358 -1.444 20 0 CAADLO CN(C(=O)C1CS(=O)(=O)C1)[C@@H]1CC[N@@H+](CCO)C1 ZINC001033111240 656684236 /nfs/dbraw/zinc/68/42/36/656684236.db2.gz MIXZZEDKOAPESM-SNVBAGLBSA-N 1 2 276.358 -1.444 20 0 CAADLO CN(C(=O)Cn1nccn1)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001033120581 656686989 /nfs/dbraw/zinc/68/69/89/656686989.db2.gz YHWGQWXHBUOBRD-SECBINFHSA-N 1 2 266.305 -1.704 20 0 CAADLO CN(C(=O)Cn1nccn1)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033120581 656686995 /nfs/dbraw/zinc/68/69/95/656686995.db2.gz YHWGQWXHBUOBRD-SECBINFHSA-N 1 2 266.305 -1.704 20 0 CAADLO CN(C(=O)Cn1nccn1)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001033120582 656687106 /nfs/dbraw/zinc/68/71/06/656687106.db2.gz YHWGQWXHBUOBRD-VIFPVBQESA-N 1 2 266.305 -1.704 20 0 CAADLO CN(C(=O)Cn1nccn1)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033120582 656687110 /nfs/dbraw/zinc/68/71/10/656687110.db2.gz YHWGQWXHBUOBRD-VIFPVBQESA-N 1 2 266.305 -1.704 20 0 CAADLO CCN1C[C@@H](C(=O)N(C)[C@@H]2CC[N@H+](CC(N)=O)C2)CC1=O ZINC001033122841 656688340 /nfs/dbraw/zinc/68/83/40/656688340.db2.gz HNWCKCZYAWAMKR-WDEREUQCSA-N 1 2 296.371 -1.127 20 0 CAADLO CCN1C[C@@H](C(=O)N(C)[C@@H]2CC[N@@H+](CC(N)=O)C2)CC1=O ZINC001033122841 656688351 /nfs/dbraw/zinc/68/83/51/656688351.db2.gz HNWCKCZYAWAMKR-WDEREUQCSA-N 1 2 296.371 -1.127 20 0 CAADLO CN(C(=O)[C@H]1CC(=O)N(C)C1)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001033124647 656688624 /nfs/dbraw/zinc/68/86/24/656688624.db2.gz PELMOMKNXLPNIZ-UWVGGRQHSA-N 1 2 282.344 -1.517 20 0 CAADLO CN(C(=O)[C@H]1CC(=O)N(C)C1)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033124647 656688633 /nfs/dbraw/zinc/68/86/33/656688633.db2.gz PELMOMKNXLPNIZ-UWVGGRQHSA-N 1 2 282.344 -1.517 20 0 CAADLO CN(C(=O)[C@H]1CC(=O)N(C)C1)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001033124648 656688837 /nfs/dbraw/zinc/68/88/37/656688837.db2.gz PELMOMKNXLPNIZ-VHSXEESVSA-N 1 2 282.344 -1.517 20 0 CAADLO CN(C(=O)[C@H]1CC(=O)N(C)C1)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033124648 656688844 /nfs/dbraw/zinc/68/88/44/656688844.db2.gz PELMOMKNXLPNIZ-VHSXEESVSA-N 1 2 282.344 -1.517 20 0 CAADLO CN(C(=O)c1cc2n(n1)CCO2)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001033145669 656689239 /nfs/dbraw/zinc/68/92/39/656689239.db2.gz NUODMQHZHSVXPW-SECBINFHSA-N 1 2 293.327 -1.093 20 0 CAADLO CN(C(=O)c1cc2n(n1)CCO2)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033145669 656689249 /nfs/dbraw/zinc/68/92/49/656689249.db2.gz NUODMQHZHSVXPW-SECBINFHSA-N 1 2 293.327 -1.093 20 0 CAADLO CN(C(=O)c1cnc[nH]c1=O)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001033179207 656690061 /nfs/dbraw/zinc/69/00/61/656690061.db2.gz KUXLVVNUDQBURA-MRVPVSSYSA-N 1 2 279.300 -1.186 20 0 CAADLO CN(C(=O)c1cnc[nH]c1=O)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033179207 656690070 /nfs/dbraw/zinc/69/00/70/656690070.db2.gz KUXLVVNUDQBURA-MRVPVSSYSA-N 1 2 279.300 -1.186 20 0 CAADLO C[C@@H]1OCCO[C@@H]1C(=O)N(C)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001033157702 656690181 /nfs/dbraw/zinc/69/01/81/656690181.db2.gz CNHHRDZZWVFJAC-UMNHJUIQSA-N 1 2 285.344 -1.192 20 0 CAADLO C[C@@H]1OCCO[C@@H]1C(=O)N(C)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033157702 656690184 /nfs/dbraw/zinc/69/01/84/656690184.db2.gz CNHHRDZZWVFJAC-UMNHJUIQSA-N 1 2 285.344 -1.192 20 0 CAADLO CN(C(=O)[C@H]1CCCNC1=O)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001033170188 656690237 /nfs/dbraw/zinc/69/02/37/656690237.db2.gz QUBLFKZRGDIYBS-ZJUUUORDSA-N 1 2 282.344 -1.469 20 0 CAADLO CN(C(=O)[C@H]1CCCNC1=O)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033170188 656690241 /nfs/dbraw/zinc/69/02/41/656690241.db2.gz QUBLFKZRGDIYBS-ZJUUUORDSA-N 1 2 282.344 -1.469 20 0 CAADLO CN(C(=O)[C@H]1CCCC(=O)N1)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001033177972 656690273 /nfs/dbraw/zinc/69/02/73/656690273.db2.gz RDKAVYZRZVZNRX-NXEZZACHSA-N 1 2 282.344 -1.327 20 0 CAADLO CN(C(=O)[C@H]1CCCC(=O)N1)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033177972 656690283 /nfs/dbraw/zinc/69/02/83/656690283.db2.gz RDKAVYZRZVZNRX-NXEZZACHSA-N 1 2 282.344 -1.327 20 0 CAADLO CN(C(=O)[C@@H]1CCCNC1=O)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001033170187 656690472 /nfs/dbraw/zinc/69/04/72/656690472.db2.gz QUBLFKZRGDIYBS-VHSXEESVSA-N 1 2 282.344 -1.469 20 0 CAADLO CN(C(=O)[C@@H]1CCCNC1=O)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033170187 656690490 /nfs/dbraw/zinc/69/04/90/656690490.db2.gz QUBLFKZRGDIYBS-VHSXEESVSA-N 1 2 282.344 -1.469 20 0 CAADLO CN(C(=O)c1cn[nH]n1)[C@H]1CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001033223418 656693357 /nfs/dbraw/zinc/69/33/57/656693357.db2.gz WPSAKXUSDKIMLD-WPRPVWTQSA-N 1 2 278.316 -1.161 20 0 CAADLO CN(C(=O)c1cn[nH]n1)[C@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001033223418 656693375 /nfs/dbraw/zinc/69/33/75/656693375.db2.gz WPSAKXUSDKIMLD-WPRPVWTQSA-N 1 2 278.316 -1.161 20 0 CAADLO C[C@@H]1CCN(C(=O)C(N)=O)C[C@@H]1NC(=O)Cn1cc[nH+]c1 ZINC001004989558 656694378 /nfs/dbraw/zinc/69/43/78/656694378.db2.gz JHDMEQAAKZWWHV-ZJUUUORDSA-N 1 2 293.327 -1.278 20 0 CAADLO CN(C(=O)[C@@H]1CCN(C)C(=O)C1)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001033202354 656694535 /nfs/dbraw/zinc/69/45/35/656694535.db2.gz FXNQMNVMBWBGCT-MNOVXSKESA-N 1 2 296.371 -1.127 20 0 CAADLO CN(C(=O)[C@@H]1CCN(C)C(=O)C1)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033202354 656694547 /nfs/dbraw/zinc/69/45/47/656694547.db2.gz FXNQMNVMBWBGCT-MNOVXSKESA-N 1 2 296.371 -1.127 20 0 CAADLO CCN1CCOC[C@@H]1C(=O)N(C)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001033212312 656694871 /nfs/dbraw/zinc/69/48/71/656694871.db2.gz RBHHWUYWWKNTCR-VXGBXAGGSA-N 1 2 298.387 -1.275 20 0 CAADLO CCN1CCOC[C@@H]1C(=O)N(C)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033212312 656694896 /nfs/dbraw/zinc/69/48/96/656694896.db2.gz RBHHWUYWWKNTCR-VXGBXAGGSA-N 1 2 298.387 -1.275 20 0 CAADLO CN(C(=O)Cn1ncn(C)c1=O)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001033207088 656695049 /nfs/dbraw/zinc/69/50/49/656695049.db2.gz LUGQSNBGNCDLTI-SECBINFHSA-N 1 2 296.331 -2.400 20 0 CAADLO CN(C(=O)Cn1ncn(C)c1=O)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033207088 656695058 /nfs/dbraw/zinc/69/50/58/656695058.db2.gz LUGQSNBGNCDLTI-SECBINFHSA-N 1 2 296.331 -2.400 20 0 CAADLO CN(C(=O)c1cn[nH]n1)[C@@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001033223397 656695326 /nfs/dbraw/zinc/69/53/26/656695326.db2.gz WPSAKXUSDKIMLD-PSASIEDQSA-N 1 2 278.316 -1.161 20 0 CAADLO CN(C(=O)c1cn[nH]n1)[C@@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001033223397 656695352 /nfs/dbraw/zinc/69/53/52/656695352.db2.gz WPSAKXUSDKIMLD-PSASIEDQSA-N 1 2 278.316 -1.161 20 0 CAADLO CN(C(=O)[C@H]1CCC(=O)NC1)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001033220774 656695788 /nfs/dbraw/zinc/69/57/88/656695788.db2.gz IRZKSGNOHOTSTG-VHSXEESVSA-N 1 2 282.344 -1.469 20 0 CAADLO CN(C(=O)[C@H]1CCC(=O)NC1)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033220774 656695836 /nfs/dbraw/zinc/69/58/36/656695836.db2.gz IRZKSGNOHOTSTG-VHSXEESVSA-N 1 2 282.344 -1.469 20 0 CAADLO CN(C(=O)[C@H]1CCC(=O)NC1)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001033220773 656696052 /nfs/dbraw/zinc/69/60/52/656696052.db2.gz IRZKSGNOHOTSTG-UWVGGRQHSA-N 1 2 282.344 -1.469 20 0 CAADLO CN(C(=O)[C@H]1CCC(=O)NC1)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033220773 656696059 /nfs/dbraw/zinc/69/60/59/656696059.db2.gz IRZKSGNOHOTSTG-UWVGGRQHSA-N 1 2 282.344 -1.469 20 0 CAADLO CN(C(=O)c1cn[nH]n1)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001033220098 656696893 /nfs/dbraw/zinc/69/68/93/656696893.db2.gz FUTJAJZHWNZABR-SSDOTTSWSA-N 1 2 252.278 -1.564 20 0 CAADLO CN(C(=O)c1cn[nH]n1)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033220098 656696900 /nfs/dbraw/zinc/69/69/00/656696900.db2.gz FUTJAJZHWNZABR-SSDOTTSWSA-N 1 2 252.278 -1.564 20 0 CAADLO CN(C(=O)c1cn[nH]n1)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001033220101 656697304 /nfs/dbraw/zinc/69/73/04/656697304.db2.gz FUTJAJZHWNZABR-ZETCQYMHSA-N 1 2 252.278 -1.564 20 0 CAADLO CN(C(=O)c1cn[nH]n1)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033220101 656697333 /nfs/dbraw/zinc/69/73/33/656697333.db2.gz FUTJAJZHWNZABR-ZETCQYMHSA-N 1 2 252.278 -1.564 20 0 CAADLO CN(C(=O)[C@@H]1CCS(=O)(=O)C1)[C@@H]1CC[N@H+](CCO)C1 ZINC001033245781 656700563 /nfs/dbraw/zinc/70/05/63/656700563.db2.gz BMZZWKMGLKQDIE-GHMZBOCLSA-N 1 2 290.385 -1.054 20 0 CAADLO CN(C(=O)[C@@H]1CCS(=O)(=O)C1)[C@@H]1CC[N@@H+](CCO)C1 ZINC001033245781 656700575 /nfs/dbraw/zinc/70/05/75/656700575.db2.gz BMZZWKMGLKQDIE-GHMZBOCLSA-N 1 2 290.385 -1.054 20 0 CAADLO NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCNC1=O)C2 ZINC001095569414 782190333 /nfs/dbraw/zinc/19/03/33/782190333.db2.gz REPCJOGQKSLCPQ-ZNSHCXBVSA-N 1 2 294.355 -1.281 20 0 CAADLO CN(C(=O)[C@@]1(C)CNC(=O)C1)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001033290072 656701717 /nfs/dbraw/zinc/70/17/17/656701717.db2.gz NGOJQITUUSWLTN-TVQRCGJNSA-N 1 2 282.344 -1.469 20 0 CAADLO CN(C(=O)[C@@]1(C)CNC(=O)C1)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033290072 656701728 /nfs/dbraw/zinc/70/17/28/656701728.db2.gz NGOJQITUUSWLTN-TVQRCGJNSA-N 1 2 282.344 -1.469 20 0 CAADLO CN(C(=O)c1cn(C)c(=O)cn1)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001033275500 656701945 /nfs/dbraw/zinc/70/19/45/656701945.db2.gz IJTMQCXEQAHVLU-SECBINFHSA-N 1 2 293.327 -1.588 20 0 CAADLO CN(C(=O)c1cn(C)c(=O)cn1)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033275500 656701952 /nfs/dbraw/zinc/70/19/52/656701952.db2.gz IJTMQCXEQAHVLU-SECBINFHSA-N 1 2 293.327 -1.588 20 0 CAADLO CN(C(=O)[C@H]1CN(C)C(=O)N1)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001033328494 656703756 /nfs/dbraw/zinc/70/37/56/656703756.db2.gz OYBXKDFMEKYLGP-DTWKUNHWSA-N 1 2 283.332 -1.972 20 0 CAADLO CN(C(=O)[C@H]1CN(C)C(=O)N1)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033328494 656703768 /nfs/dbraw/zinc/70/37/68/656703768.db2.gz OYBXKDFMEKYLGP-DTWKUNHWSA-N 1 2 283.332 -1.972 20 0 CAADLO CN(C(=O)[C@@H]1CCC(=O)N1C)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001033336624 656704250 /nfs/dbraw/zinc/70/42/50/656704250.db2.gz VOUMVDAIZCJGQU-ZJUUUORDSA-N 1 2 282.344 -1.375 20 0 CAADLO CN(C(=O)[C@@H]1CCC(=O)N1C)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033336624 656704260 /nfs/dbraw/zinc/70/42/60/656704260.db2.gz VOUMVDAIZCJGQU-ZJUUUORDSA-N 1 2 282.344 -1.375 20 0 CAADLO CN(C(=O)CN1CCNC(=O)C1)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001033326485 656704480 /nfs/dbraw/zinc/70/44/80/656704480.db2.gz CJZMHSABVQQQIW-JTQLQIEISA-N 1 2 297.359 -2.564 20 0 CAADLO CN(C(=O)CN1CCNC(=O)C1)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033326485 656704495 /nfs/dbraw/zinc/70/44/95/656704495.db2.gz CJZMHSABVQQQIW-JTQLQIEISA-N 1 2 297.359 -2.564 20 0 CAADLO CN(C(=O)[C@H]1CCNC1=O)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001033323022 656704927 /nfs/dbraw/zinc/70/49/27/656704927.db2.gz ZCESLJSWHYZPPC-IUCAKERBSA-N 1 2 268.317 -1.860 20 0 CAADLO CN(C(=O)[C@H]1CCNC1=O)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033323022 656704939 /nfs/dbraw/zinc/70/49/39/656704939.db2.gz ZCESLJSWHYZPPC-IUCAKERBSA-N 1 2 268.317 -1.860 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CC[C@@H](N(C)C(=O)c2nnn(C)n2)C1 ZINC001033337864 656704967 /nfs/dbraw/zinc/70/49/67/656704967.db2.gz REIOXRVCTQSELH-JGVFFNPUSA-N 1 2 281.320 -1.770 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CC[C@@H](N(C)C(=O)c2nnn(C)n2)C1 ZINC001033337864 656704976 /nfs/dbraw/zinc/70/49/76/656704976.db2.gz REIOXRVCTQSELH-JGVFFNPUSA-N 1 2 281.320 -1.770 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CC[C@H](N(C)C(=O)c2nnn(C)n2)C1 ZINC001033337866 656705309 /nfs/dbraw/zinc/70/53/09/656705309.db2.gz REIOXRVCTQSELH-YUMQZZPRSA-N 1 2 281.320 -1.770 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CC[C@H](N(C)C(=O)c2nnn(C)n2)C1 ZINC001033337866 656705327 /nfs/dbraw/zinc/70/53/27/656705327.db2.gz REIOXRVCTQSELH-YUMQZZPRSA-N 1 2 281.320 -1.770 20 0 CAADLO CN(C)C(=O)C[N@@H+]1CC[C@H](N(C)C(=O)c2nnn(C)n2)C1 ZINC001033338069 656705392 /nfs/dbraw/zinc/70/53/92/656705392.db2.gz UMUYUGXEQQIHOH-VIFPVBQESA-N 1 2 295.347 -1.555 20 0 CAADLO CN(C)C(=O)C[N@H+]1CC[C@H](N(C)C(=O)c2nnn(C)n2)C1 ZINC001033338069 656705406 /nfs/dbraw/zinc/70/54/06/656705406.db2.gz UMUYUGXEQQIHOH-VIFPVBQESA-N 1 2 295.347 -1.555 20 0 CAADLO CN(C(=O)[C@@H]1CN(C)C(=O)N1)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001033328495 656705473 /nfs/dbraw/zinc/70/54/73/656705473.db2.gz OYBXKDFMEKYLGP-IUCAKERBSA-N 1 2 283.332 -1.972 20 0 CAADLO CN(C(=O)[C@@H]1CN(C)C(=O)N1)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033328495 656705503 /nfs/dbraw/zinc/70/55/03/656705503.db2.gz OYBXKDFMEKYLGP-IUCAKERBSA-N 1 2 283.332 -1.972 20 0 CAADLO C[C@@H](NC(=O)C[NH+]1C[C@H](O)[C@@H](O)C1)C(=O)N1CCCCC1 ZINC000625712333 656705733 /nfs/dbraw/zinc/70/57/33/656705733.db2.gz PFNRJEAHUKBLNS-WOPDTQHZSA-N 1 2 299.371 -1.459 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)c2nnn(C)n2)C1 ZINC001033337244 656705998 /nfs/dbraw/zinc/70/59/98/656705998.db2.gz IPLWYTGITKXZKN-QMMMGPOBSA-N 1 2 281.320 -1.898 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](N(C)C(=O)c2nnn(C)n2)C1 ZINC001033337244 656706018 /nfs/dbraw/zinc/70/60/18/656706018.db2.gz IPLWYTGITKXZKN-QMMMGPOBSA-N 1 2 281.320 -1.898 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CC[C@H](N(C)C(=O)c2nnn(C)n2)C1 ZINC001033337865 656706186 /nfs/dbraw/zinc/70/61/86/656706186.db2.gz REIOXRVCTQSELH-SFYZADRCSA-N 1 2 281.320 -1.770 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CC[C@H](N(C)C(=O)c2nnn(C)n2)C1 ZINC001033337865 656706201 /nfs/dbraw/zinc/70/62/01/656706201.db2.gz REIOXRVCTQSELH-SFYZADRCSA-N 1 2 281.320 -1.770 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)c2nnn(C)n2)C1 ZINC001033337243 656706910 /nfs/dbraw/zinc/70/69/10/656706910.db2.gz IPLWYTGITKXZKN-MRVPVSSYSA-N 1 2 281.320 -1.898 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)c2nnn(C)n2)C1 ZINC001033337243 656706918 /nfs/dbraw/zinc/70/69/18/656706918.db2.gz IPLWYTGITKXZKN-MRVPVSSYSA-N 1 2 281.320 -1.898 20 0 CAADLO CN(C(=O)[C@H]1CCN(C)C1=O)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001033341393 656707309 /nfs/dbraw/zinc/70/73/09/656707309.db2.gz OWIDVYGLWWLHRI-UWVGGRQHSA-N 1 2 282.344 -1.517 20 0 CAADLO CN(C(=O)[C@H]1CCN(C)C1=O)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033341393 656707320 /nfs/dbraw/zinc/70/73/20/656707320.db2.gz OWIDVYGLWWLHRI-UWVGGRQHSA-N 1 2 282.344 -1.517 20 0 CAADLO CN(C(=O)c1nnn(C)n1)[C@@H]1CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001033340476 656707607 /nfs/dbraw/zinc/70/76/07/656707607.db2.gz GSWTYVBCYAWAOA-BDAKNGLRSA-N 1 2 293.331 -1.755 20 0 CAADLO CN(C(=O)c1nnn(C)n1)[C@@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001033340476 656707619 /nfs/dbraw/zinc/70/76/19/656707619.db2.gz GSWTYVBCYAWAOA-BDAKNGLRSA-N 1 2 293.331 -1.755 20 0 CAADLO CN(C(=O)[C@@H]1CNC(=O)N1)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001033381111 656707707 /nfs/dbraw/zinc/70/77/07/656707707.db2.gz VKQMIKZNMYRKQO-YUMQZZPRSA-N 1 2 269.305 -2.314 20 0 CAADLO CN(C(=O)[C@@H]1CNC(=O)N1)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033381111 656707710 /nfs/dbraw/zinc/70/77/10/656707710.db2.gz VKQMIKZNMYRKQO-YUMQZZPRSA-N 1 2 269.305 -2.314 20 0 CAADLO CN(C(=O)c1nnn(C)n1)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001033341260 656708155 /nfs/dbraw/zinc/70/81/55/656708155.db2.gz PUUZPEFVTLSGDI-SSDOTTSWSA-N 1 2 267.293 -2.158 20 0 CAADLO CN(C(=O)c1nnn(C)n1)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033341260 656708169 /nfs/dbraw/zinc/70/81/69/656708169.db2.gz PUUZPEFVTLSGDI-SSDOTTSWSA-N 1 2 267.293 -2.158 20 0 CAADLO CN(C(=O)[C@]1(C)CCC(=O)NC1)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001033341684 656708992 /nfs/dbraw/zinc/70/89/92/656708992.db2.gz BOSGRZZPROFLSI-IINYFYTJSA-N 1 2 296.371 -1.079 20 0 CAADLO CN(C(=O)[C@]1(C)CCC(=O)NC1)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033341684 656709005 /nfs/dbraw/zinc/70/90/05/656709005.db2.gz BOSGRZZPROFLSI-IINYFYTJSA-N 1 2 296.371 -1.079 20 0 CAADLO CN(C(=O)[C@@H]1CCN(C)C1=O)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001033341392 656709074 /nfs/dbraw/zinc/70/90/74/656709074.db2.gz OWIDVYGLWWLHRI-NXEZZACHSA-N 1 2 282.344 -1.517 20 0 CAADLO CN(C(=O)[C@@H]1CCN(C)C1=O)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033341392 656709096 /nfs/dbraw/zinc/70/90/96/656709096.db2.gz OWIDVYGLWWLHRI-NXEZZACHSA-N 1 2 282.344 -1.517 20 0 CAADLO CN(C(=O)c1nnn(C)n1)[C@@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001033340483 656709704 /nfs/dbraw/zinc/70/97/04/656709704.db2.gz GSWTYVBCYAWAOA-RKDXNWHRSA-N 1 2 293.331 -1.755 20 0 CAADLO CN(C(=O)c1nnn(C)n1)[C@@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001033340483 656709709 /nfs/dbraw/zinc/70/97/09/656709709.db2.gz GSWTYVBCYAWAOA-RKDXNWHRSA-N 1 2 293.331 -1.755 20 0 CAADLO CN(C(=O)C(N)=O)[C@@H]1CC[N@@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001033376700 656710429 /nfs/dbraw/zinc/71/04/29/656710429.db2.gz SZCAGGXGNUIOFO-SFYZADRCSA-N 1 2 282.300 -2.190 20 0 CAADLO CN(C(=O)C(N)=O)[C@@H]1CC[N@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001033376700 656710437 /nfs/dbraw/zinc/71/04/37/656710437.db2.gz SZCAGGXGNUIOFO-SFYZADRCSA-N 1 2 282.300 -2.190 20 0 CAADLO CN(C(=O)C(N)=O)[C@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001033376679 656710785 /nfs/dbraw/zinc/71/07/85/656710785.db2.gz SSUSUZGYZLMTQX-JGVFFNPUSA-N 1 2 254.290 -2.107 20 0 CAADLO CN(C(=O)C(N)=O)[C@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001033376679 656710791 /nfs/dbraw/zinc/71/07/91/656710791.db2.gz SSUSUZGYZLMTQX-JGVFFNPUSA-N 1 2 254.290 -2.107 20 0 CAADLO CN(C(=O)C(N)=O)[C@H]1CC[N@@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001033376701 656711290 /nfs/dbraw/zinc/71/12/90/656711290.db2.gz SZCAGGXGNUIOFO-YUMQZZPRSA-N 1 2 282.300 -2.190 20 0 CAADLO CN(C(=O)C(N)=O)[C@H]1CC[N@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001033376701 656711296 /nfs/dbraw/zinc/71/12/96/656711296.db2.gz SZCAGGXGNUIOFO-YUMQZZPRSA-N 1 2 282.300 -2.190 20 0 CAADLO CN(C)C(=O)C[N@@H+]1CC[C@H](N(C)C(=O)C(N)=O)C1 ZINC001033375373 656711547 /nfs/dbraw/zinc/71/15/47/656711547.db2.gz DWPMTBHGFLOHBI-QMMMGPOBSA-N 1 2 256.306 -1.907 20 0 CAADLO CN(C)C(=O)C[N@H+]1CC[C@H](N(C)C(=O)C(N)=O)C1 ZINC001033375373 656711550 /nfs/dbraw/zinc/71/15/50/656711550.db2.gz DWPMTBHGFLOHBI-QMMMGPOBSA-N 1 2 256.306 -1.907 20 0 CAADLO CN(C(=O)C(N)=O)[C@H]1CC[N@H+](CC(=O)N2CCOCC2)C1 ZINC001033377647 656711642 /nfs/dbraw/zinc/71/16/42/656711642.db2.gz CBPVAGCNHSZTNK-JTQLQIEISA-N 1 2 298.343 -2.137 20 0 CAADLO CN(C(=O)C(N)=O)[C@H]1CC[N@@H+](CC(=O)N2CCOCC2)C1 ZINC001033377647 656711648 /nfs/dbraw/zinc/71/16/48/656711648.db2.gz CBPVAGCNHSZTNK-JTQLQIEISA-N 1 2 298.343 -2.137 20 0 CAADLO CN(C(=O)C(N)=O)[C@@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001033376678 656711805 /nfs/dbraw/zinc/71/18/05/656711805.db2.gz SSUSUZGYZLMTQX-HTQZYQBOSA-N 1 2 254.290 -2.107 20 0 CAADLO CN(C(=O)C(N)=O)[C@@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001033376678 656711811 /nfs/dbraw/zinc/71/18/11/656711811.db2.gz SSUSUZGYZLMTQX-HTQZYQBOSA-N 1 2 254.290 -2.107 20 0 CAADLO CN(C(=O)c1c[nH]c(=O)cn1)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001033373633 656711948 /nfs/dbraw/zinc/71/19/48/656711948.db2.gz SSHZYLKTSQVGDV-QMMMGPOBSA-N 1 2 279.300 -1.599 20 0 CAADLO CN(C(=O)c1c[nH]c(=O)cn1)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033373633 656711954 /nfs/dbraw/zinc/71/19/54/656711954.db2.gz SSHZYLKTSQVGDV-QMMMGPOBSA-N 1 2 279.300 -1.599 20 0 CAADLO C[C@H](C(=O)NC1CC1)[N@@H+]1CC[C@H](N(C)C(=O)C(N)=O)C1 ZINC001033386810 656712341 /nfs/dbraw/zinc/71/23/41/656712341.db2.gz WIJMUYROAOSUHY-SCZZXKLOSA-N 1 2 282.344 -1.329 20 0 CAADLO C[C@H](C(=O)NC1CC1)[N@H+]1CC[C@H](N(C)C(=O)C(N)=O)C1 ZINC001033386810 656712353 /nfs/dbraw/zinc/71/23/53/656712353.db2.gz WIJMUYROAOSUHY-SCZZXKLOSA-N 1 2 282.344 -1.329 20 0 CAADLO CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N(C)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001033419897 656712633 /nfs/dbraw/zinc/71/26/33/656712633.db2.gz DLURYBKWLJFLKI-AXFHLTTASA-N 1 2 296.371 -1.271 20 0 CAADLO CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N(C)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033419897 656712639 /nfs/dbraw/zinc/71/26/39/656712639.db2.gz DLURYBKWLJFLKI-AXFHLTTASA-N 1 2 296.371 -1.271 20 0 CAADLO CN(C(=O)C(N)=O)[C@@H]1CC[N@H+](Cc2cncn2C)C1 ZINC001033378976 656712661 /nfs/dbraw/zinc/71/26/61/656712661.db2.gz QEQGAFZVQDFXHJ-SECBINFHSA-N 1 2 265.317 -1.062 20 0 CAADLO CN(C(=O)C(N)=O)[C@@H]1CC[N@@H+](Cc2cncn2C)C1 ZINC001033378976 656712664 /nfs/dbraw/zinc/71/26/64/656712664.db2.gz QEQGAFZVQDFXHJ-SECBINFHSA-N 1 2 265.317 -1.062 20 0 CAADLO CN(C(=O)c1cn(C)c(=O)[nH]1)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001033392255 656712806 /nfs/dbraw/zinc/71/28/06/656712806.db2.gz XCCRYAXHPKMDSP-MRVPVSSYSA-N 1 2 281.316 -1.243 20 0 CAADLO CN(C(=O)c1cn(C)c(=O)[nH]1)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033392255 656712812 /nfs/dbraw/zinc/71/28/12/656712812.db2.gz XCCRYAXHPKMDSP-MRVPVSSYSA-N 1 2 281.316 -1.243 20 0 CAADLO CN(C(=O)c1cn(C)c(=O)[nH]1)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001033392256 656713204 /nfs/dbraw/zinc/71/32/04/656713204.db2.gz XCCRYAXHPKMDSP-QMMMGPOBSA-N 1 2 281.316 -1.243 20 0 CAADLO CN(C(=O)c1cn(C)c(=O)[nH]1)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033392256 656713210 /nfs/dbraw/zinc/71/32/10/656713210.db2.gz XCCRYAXHPKMDSP-QMMMGPOBSA-N 1 2 281.316 -1.243 20 0 CAADLO C[C@H](C(=O)NC1CC1)[N@@H+]1CC[C@@H](N(C)C(=O)C(N)=O)C1 ZINC001033386805 656713330 /nfs/dbraw/zinc/71/33/30/656713330.db2.gz WIJMUYROAOSUHY-PSASIEDQSA-N 1 2 282.344 -1.329 20 0 CAADLO C[C@H](C(=O)NC1CC1)[N@H+]1CC[C@@H](N(C)C(=O)C(N)=O)C1 ZINC001033386805 656713334 /nfs/dbraw/zinc/71/33/34/656713334.db2.gz WIJMUYROAOSUHY-PSASIEDQSA-N 1 2 282.344 -1.329 20 0 CAADLO CN(C(=O)C(N)=O)[C@@H]1CC[N@H+](CC(=O)NC2CC2)C1 ZINC001033378867 656714135 /nfs/dbraw/zinc/71/41/35/656714135.db2.gz OPKURRHXIQYDSO-SECBINFHSA-N 1 2 268.317 -1.717 20 0 CAADLO CN(C(=O)C(N)=O)[C@@H]1CC[N@@H+](CC(=O)NC2CC2)C1 ZINC001033378867 656714141 /nfs/dbraw/zinc/71/41/41/656714141.db2.gz OPKURRHXIQYDSO-SECBINFHSA-N 1 2 268.317 -1.717 20 0 CAADLO CN(C(=O)CN1CC(=O)NC1=O)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001033507871 656714446 /nfs/dbraw/zinc/71/44/46/656714446.db2.gz LXFKSAJPHQLCCV-QMMMGPOBSA-N 1 2 297.315 -2.444 20 0 CAADLO CN(C(=O)CN1CC(=O)NC1=O)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033507871 656714456 /nfs/dbraw/zinc/71/44/56/656714456.db2.gz LXFKSAJPHQLCCV-QMMMGPOBSA-N 1 2 297.315 -2.444 20 0 CAADLO CN(C(=O)[C@H]1C[C@H]1C(N)=O)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001033430322 656715015 /nfs/dbraw/zinc/71/50/15/656715015.db2.gz ZTSGDDAZTKHRQT-HLTSFMKQSA-N 1 2 268.317 -1.874 20 0 CAADLO CN(C(=O)[C@H]1C[C@H]1C(N)=O)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033430322 656715024 /nfs/dbraw/zinc/71/50/24/656715024.db2.gz ZTSGDDAZTKHRQT-HLTSFMKQSA-N 1 2 268.317 -1.874 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CC[C@@H](N(C)C(=O)c2cnn(C)n2)C1 ZINC001033495129 656715372 /nfs/dbraw/zinc/71/53/72/656715372.db2.gz OZSBCZDXLKTGAB-RKDXNWHRSA-N 1 2 280.332 -1.165 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CC[C@@H](N(C)C(=O)c2cnn(C)n2)C1 ZINC001033495129 656715379 /nfs/dbraw/zinc/71/53/79/656715379.db2.gz OZSBCZDXLKTGAB-RKDXNWHRSA-N 1 2 280.332 -1.165 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CC[C@H](N(C)C(=O)c2cnn(C)n2)C1 ZINC001033495123 656715451 /nfs/dbraw/zinc/71/54/51/656715451.db2.gz OZSBCZDXLKTGAB-BDAKNGLRSA-N 1 2 280.332 -1.165 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CC[C@H](N(C)C(=O)c2cnn(C)n2)C1 ZINC001033495123 656715459 /nfs/dbraw/zinc/71/54/59/656715459.db2.gz OZSBCZDXLKTGAB-BDAKNGLRSA-N 1 2 280.332 -1.165 20 0 CAADLO CN(C(=O)c1cnn(C)n1)[C@@H]1CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001033502895 656715498 /nfs/dbraw/zinc/71/54/98/656715498.db2.gz SNIVFXZBXRUDQZ-KOLCDFICSA-N 1 2 292.343 -1.150 20 0 CAADLO CN(C(=O)c1cnn(C)n1)[C@@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001033502895 656715506 /nfs/dbraw/zinc/71/55/06/656715506.db2.gz SNIVFXZBXRUDQZ-KOLCDFICSA-N 1 2 292.343 -1.150 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)c2cnn(C)n2)C1 ZINC001033501358 656715791 /nfs/dbraw/zinc/71/57/91/656715791.db2.gz DTGNAVHDOPCPKY-VIFPVBQESA-N 1 2 280.332 -1.293 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](N(C)C(=O)c2cnn(C)n2)C1 ZINC001033501358 656715812 /nfs/dbraw/zinc/71/58/12/656715812.db2.gz DTGNAVHDOPCPKY-VIFPVBQESA-N 1 2 280.332 -1.293 20 0 CAADLO CN(C(=O)[C@@H]1CC(=O)NC(=O)N1)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001033463236 656716226 /nfs/dbraw/zinc/71/62/26/656716226.db2.gz JORANZDSGBEGFW-SFYZADRCSA-N 1 2 297.315 -2.398 20 0 CAADLO CN(C(=O)[C@@H]1CC(=O)NC(=O)N1)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033463236 656716234 /nfs/dbraw/zinc/71/62/34/656716234.db2.gz JORANZDSGBEGFW-SFYZADRCSA-N 1 2 297.315 -2.398 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CC[C@@H](N(C)C(=O)c2nc[nH]n2)C1 ZINC001033513408 656716512 /nfs/dbraw/zinc/71/65/12/656716512.db2.gz NCGQQAOGKWYMMY-JGVFFNPUSA-N 1 2 266.305 -1.175 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CC[C@@H](N(C)C(=O)c2nc[nH]n2)C1 ZINC001033513408 656716528 /nfs/dbraw/zinc/71/65/28/656716528.db2.gz NCGQQAOGKWYMMY-JGVFFNPUSA-N 1 2 266.305 -1.175 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CC[C@@H](N(C)C(=O)c2nc[nH]n2)C1 ZINC001033513405 656717117 /nfs/dbraw/zinc/71/71/17/656717117.db2.gz NCGQQAOGKWYMMY-HTQZYQBOSA-N 1 2 266.305 -1.175 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CC[C@@H](N(C)C(=O)c2nc[nH]n2)C1 ZINC001033513405 656717126 /nfs/dbraw/zinc/71/71/26/656717126.db2.gz NCGQQAOGKWYMMY-HTQZYQBOSA-N 1 2 266.305 -1.175 20 0 CAADLO C[C@@H]1CCN(C(=O)C(N)=O)C[C@@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC001005200726 656717717 /nfs/dbraw/zinc/71/77/17/656717717.db2.gz UEVLZVKPXBBPHP-BDAKNGLRSA-N 1 2 293.327 -1.209 20 0 CAADLO CCn1cc(C(=O)N(C)[C@H]2CC[N@H+](CC(N)=O)C2)nn1 ZINC001033548156 656717911 /nfs/dbraw/zinc/71/79/11/656717911.db2.gz GQQUBPRPTCVTLS-VIFPVBQESA-N 1 2 280.332 -1.070 20 0 CAADLO CCn1cc(C(=O)N(C)[C@H]2CC[N@@H+](CC(N)=O)C2)nn1 ZINC001033548156 656717913 /nfs/dbraw/zinc/71/79/13/656717913.db2.gz GQQUBPRPTCVTLS-VIFPVBQESA-N 1 2 280.332 -1.070 20 0 CAADLO CN(C(=O)c1nc[nH]n1)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001033519823 656717927 /nfs/dbraw/zinc/71/79/27/656717927.db2.gz WVHAVWKQAXGSMO-ZETCQYMHSA-N 1 2 252.278 -1.564 20 0 CAADLO CN(C(=O)c1nc[nH]n1)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033519823 656717932 /nfs/dbraw/zinc/71/79/32/656717932.db2.gz WVHAVWKQAXGSMO-ZETCQYMHSA-N 1 2 252.278 -1.564 20 0 CAADLO CN(C(=O)c1cc(C(N)=O)c[nH]1)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001033541425 656718450 /nfs/dbraw/zinc/71/84/50/656718450.db2.gz WJNHHUXOAUXCNH-SECBINFHSA-N 1 2 293.327 -1.255 20 0 CAADLO CN(C(=O)c1cc(C(N)=O)c[nH]1)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033541425 656718460 /nfs/dbraw/zinc/71/84/60/656718460.db2.gz WJNHHUXOAUXCNH-SECBINFHSA-N 1 2 293.327 -1.255 20 0 CAADLO CN(C(=O)c1nc[nH]n1)[C@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001033516982 656718903 /nfs/dbraw/zinc/71/89/03/656718903.db2.gz BDNZEPCNVJKDAR-DTWKUNHWSA-N 1 2 278.316 -1.161 20 0 CAADLO CN(C(=O)c1nc[nH]n1)[C@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001033516982 656718907 /nfs/dbraw/zinc/71/89/07/656718907.db2.gz BDNZEPCNVJKDAR-DTWKUNHWSA-N 1 2 278.316 -1.161 20 0 CAADLO CN(C(=O)Cc1cncn1C)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001033588059 656720586 /nfs/dbraw/zinc/72/05/86/656720586.db2.gz JFCCMZMLTUZPMQ-SNVBAGLBSA-N 1 2 279.344 -1.019 20 0 CAADLO CN(C(=O)Cc1cncn1C)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033588059 656720599 /nfs/dbraw/zinc/72/05/99/656720599.db2.gz JFCCMZMLTUZPMQ-SNVBAGLBSA-N 1 2 279.344 -1.019 20 0 CAADLO C[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1NC(=O)C(N)=O ZINC001005230572 656722901 /nfs/dbraw/zinc/72/29/01/656722901.db2.gz DZZWFQJJPWJQJN-DTWKUNHWSA-N 1 2 293.327 -1.209 20 0 CAADLO C[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1NC(=O)C(N)=O ZINC001005230575 656723425 /nfs/dbraw/zinc/72/34/25/656723425.db2.gz DZZWFQJJPWJQJN-IUCAKERBSA-N 1 2 293.327 -1.209 20 0 CAADLO C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C[C@H]1NC(=O)C(N)=O ZINC001005230684 656723870 /nfs/dbraw/zinc/72/38/70/656723870.db2.gz FOMXXIRCPAVWIZ-NXEZZACHSA-N 1 2 293.327 -1.278 20 0 CAADLO CN(C(=O)Cn1ccccc1=O)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001033655274 656724876 /nfs/dbraw/zinc/72/48/76/656724876.db2.gz DXEFPXNFGNCRPW-LLVKDONJSA-N 1 2 292.339 -1.134 20 0 CAADLO CN(C(=O)Cn1ccccc1=O)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033655274 656724885 /nfs/dbraw/zinc/72/48/85/656724885.db2.gz DXEFPXNFGNCRPW-LLVKDONJSA-N 1 2 292.339 -1.134 20 0 CAADLO CN(C(=O)Cn1cncn1)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001033643143 656726420 /nfs/dbraw/zinc/72/64/20/656726420.db2.gz XHKACJNWXMXEBA-SECBINFHSA-N 1 2 266.305 -1.704 20 0 CAADLO CN(C(=O)Cn1cncn1)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033643143 656726428 /nfs/dbraw/zinc/72/64/28/656726428.db2.gz XHKACJNWXMXEBA-SECBINFHSA-N 1 2 266.305 -1.704 20 0 CAADLO CN(C(=O)Cn1cncn1)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001033643144 656726936 /nfs/dbraw/zinc/72/69/36/656726936.db2.gz XHKACJNWXMXEBA-VIFPVBQESA-N 1 2 266.305 -1.704 20 0 CAADLO CN(C(=O)Cn1cncn1)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033643144 656726948 /nfs/dbraw/zinc/72/69/48/656726948.db2.gz XHKACJNWXMXEBA-VIFPVBQESA-N 1 2 266.305 -1.704 20 0 CAADLO CN(C(=O)Cn1ccccc1=O)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001033655298 656727991 /nfs/dbraw/zinc/72/79/91/656727991.db2.gz DXEFPXNFGNCRPW-NSHDSACASA-N 1 2 292.339 -1.134 20 0 CAADLO CN(C(=O)Cn1ccccc1=O)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033655298 656727997 /nfs/dbraw/zinc/72/79/97/656727997.db2.gz DXEFPXNFGNCRPW-NSHDSACASA-N 1 2 292.339 -1.134 20 0 CAADLO Cc1nn(C)cc1CC(=O)N[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001014750653 656729004 /nfs/dbraw/zinc/72/90/04/656729004.db2.gz AMTGOBRAOXDTPL-NSHDSACASA-N 1 2 279.344 -1.053 20 0 CAADLO Cc1nn(C)cc1CC(=O)N[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001014750653 656729008 /nfs/dbraw/zinc/72/90/08/656729008.db2.gz AMTGOBRAOXDTPL-NSHDSACASA-N 1 2 279.344 -1.053 20 0 CAADLO CN(C(=O)[C@H]1CCC(=O)N(C)C1)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001033688277 656730337 /nfs/dbraw/zinc/73/03/37/656730337.db2.gz KFBJZKYJRXJUND-WDEREUQCSA-N 1 2 296.371 -1.127 20 0 CAADLO CN(C(=O)[C@H]1CCC(=O)N(C)C1)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033688277 656730350 /nfs/dbraw/zinc/73/03/50/656730350.db2.gz KFBJZKYJRXJUND-WDEREUQCSA-N 1 2 296.371 -1.127 20 0 CAADLO CCN(C(=O)[C@@H]1COCCO1)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001033761531 656730498 /nfs/dbraw/zinc/73/04/98/656730498.db2.gz NQKBBUIIZVPJBR-QWRGUYRKSA-N 1 2 285.344 -1.190 20 0 CAADLO CCN(C(=O)[C@@H]1COCCO1)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033761531 656730504 /nfs/dbraw/zinc/73/05/04/656730504.db2.gz NQKBBUIIZVPJBR-QWRGUYRKSA-N 1 2 285.344 -1.190 20 0 CAADLO C[C@@H](C(=O)N(C)[C@@H]1CC[N@H+](CC(N)=O)C1)N1CCOCC1 ZINC001033718900 656730875 /nfs/dbraw/zinc/73/08/75/656730875.db2.gz KWLCIGANPURPNE-NWDGAFQWSA-N 1 2 298.387 -1.275 20 0 CAADLO C[C@@H](C(=O)N(C)[C@@H]1CC[N@@H+](CC(N)=O)C1)N1CCOCC1 ZINC001033718900 656730892 /nfs/dbraw/zinc/73/08/92/656730892.db2.gz KWLCIGANPURPNE-NWDGAFQWSA-N 1 2 298.387 -1.275 20 0 CAADLO CCN(C(=O)c1cnnn1C)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001033815090 656731202 /nfs/dbraw/zinc/73/12/02/656731202.db2.gz HZGCJOUUKXHIQQ-VIFPVBQESA-N 1 2 280.332 -1.163 20 0 CAADLO CCN(C(=O)c1cnnn1C)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033815090 656731217 /nfs/dbraw/zinc/73/12/17/656731217.db2.gz HZGCJOUUKXHIQQ-VIFPVBQESA-N 1 2 280.332 -1.163 20 0 CAADLO CCN(C(=O)[C@H]1CC(=O)N(C)C1)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001033852920 656731352 /nfs/dbraw/zinc/73/13/52/656731352.db2.gz ORZVGKHJDOOYEW-WDEREUQCSA-N 1 2 296.371 -1.127 20 0 CAADLO CCN(C(=O)[C@H]1CC(=O)N(C)C1)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033852920 656731367 /nfs/dbraw/zinc/73/13/67/656731367.db2.gz ORZVGKHJDOOYEW-WDEREUQCSA-N 1 2 296.371 -1.127 20 0 CAADLO CCN(C(=O)c1cnnn1C)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001033815089 656731489 /nfs/dbraw/zinc/73/14/89/656731489.db2.gz HZGCJOUUKXHIQQ-SECBINFHSA-N 1 2 280.332 -1.163 20 0 CAADLO CCN(C(=O)c1cnnn1C)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033815089 656731495 /nfs/dbraw/zinc/73/14/95/656731495.db2.gz HZGCJOUUKXHIQQ-SECBINFHSA-N 1 2 280.332 -1.163 20 0 CAADLO CCN(C(=O)c1cn(C)nn1)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001033824709 656731755 /nfs/dbraw/zinc/73/17/55/656731755.db2.gz RYROIDSTTWNKCG-VIFPVBQESA-N 1 2 280.332 -1.163 20 0 CAADLO CCN(C(=O)c1cn(C)nn1)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033824709 656731761 /nfs/dbraw/zinc/73/17/61/656731761.db2.gz RYROIDSTTWNKCG-VIFPVBQESA-N 1 2 280.332 -1.163 20 0 CAADLO CCN(C(=O)[C@H]1COC(=O)N1)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001033815032 656731786 /nfs/dbraw/zinc/73/17/86/656731786.db2.gz GXKMNEOJBANDTF-DTWKUNHWSA-N 1 2 284.316 -1.497 20 0 CAADLO CCN(C(=O)[C@H]1COC(=O)N1)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033815032 656731789 /nfs/dbraw/zinc/73/17/89/656731789.db2.gz GXKMNEOJBANDTF-DTWKUNHWSA-N 1 2 284.316 -1.497 20 0 CAADLO CCN(C(=O)c1cn[nH]n1)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001033888948 656732429 /nfs/dbraw/zinc/73/24/29/656732429.db2.gz STBFRTFHAPEBLN-QMMMGPOBSA-N 1 2 266.305 -1.174 20 0 CAADLO CCN(C(=O)c1cn[nH]n1)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033888948 656732441 /nfs/dbraw/zinc/73/24/41/656732441.db2.gz STBFRTFHAPEBLN-QMMMGPOBSA-N 1 2 266.305 -1.174 20 0 CAADLO CCN(C(=O)C1CS(=O)(=O)C1)[C@@H]1CC[N@H+](CCO)C1 ZINC001033847370 656732530 /nfs/dbraw/zinc/73/25/30/656732530.db2.gz UBHJWEDUQVVWPA-LLVKDONJSA-N 1 2 290.385 -1.054 20 0 CAADLO CCN(C(=O)C1CS(=O)(=O)C1)[C@@H]1CC[N@@H+](CCO)C1 ZINC001033847370 656732535 /nfs/dbraw/zinc/73/25/35/656732535.db2.gz UBHJWEDUQVVWPA-LLVKDONJSA-N 1 2 290.385 -1.054 20 0 CAADLO CCN(C(=O)c1nnn(C)n1)[C@@H]1CC[N@@H+]([C@@H](C)C(N)=O)C1 ZINC001033926180 656732697 /nfs/dbraw/zinc/73/26/97/656732697.db2.gz ADZZXRMIVRGYID-DTWKUNHWSA-N 1 2 295.347 -1.380 20 0 CAADLO CCN(C(=O)c1nnn(C)n1)[C@@H]1CC[N@H+]([C@@H](C)C(N)=O)C1 ZINC001033926180 656732709 /nfs/dbraw/zinc/73/27/09/656732709.db2.gz ADZZXRMIVRGYID-DTWKUNHWSA-N 1 2 295.347 -1.380 20 0 CAADLO CCN(C(=O)[C@@H]1CCNC(=O)C1)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001033789510 656732783 /nfs/dbraw/zinc/73/27/83/656732783.db2.gz QMAJQCRQWHLGTI-GHMZBOCLSA-N 1 2 296.371 -1.079 20 0 CAADLO CCN(C(=O)[C@@H]1CCNC(=O)C1)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033789510 656732790 /nfs/dbraw/zinc/73/27/90/656732790.db2.gz QMAJQCRQWHLGTI-GHMZBOCLSA-N 1 2 296.371 -1.079 20 0 CAADLO CCN(C(=O)c1nc[nH]n1)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001033993626 656733941 /nfs/dbraw/zinc/73/39/41/656733941.db2.gz AOVAPVSRTYVHPT-QMMMGPOBSA-N 1 2 266.305 -1.174 20 0 CAADLO CCN(C(=O)c1nc[nH]n1)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033993626 656733948 /nfs/dbraw/zinc/73/39/48/656733948.db2.gz AOVAPVSRTYVHPT-QMMMGPOBSA-N 1 2 266.305 -1.174 20 0 CAADLO CCN(C(=O)c1nnn(C)n1)[C@H]1CC[N@H+](CC(=O)NC)C1 ZINC001033923383 656733966 /nfs/dbraw/zinc/73/39/66/656733966.db2.gz RDFCHQZQAGSJGN-VIFPVBQESA-N 1 2 295.347 -1.508 20 0 CAADLO CCN(C(=O)c1nnn(C)n1)[C@H]1CC[N@@H+](CC(=O)NC)C1 ZINC001033923383 656733970 /nfs/dbraw/zinc/73/39/70/656733970.db2.gz RDFCHQZQAGSJGN-VIFPVBQESA-N 1 2 295.347 -1.508 20 0 CAADLO CCN(C(=O)[C@@H]1CCN(C)C1=O)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001033930110 656734014 /nfs/dbraw/zinc/73/40/14/656734014.db2.gz SKSODTCEGGLQGD-GHMZBOCLSA-N 1 2 296.371 -1.127 20 0 CAADLO CCN(C(=O)[C@@H]1CCN(C)C1=O)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033930110 656734020 /nfs/dbraw/zinc/73/40/20/656734020.db2.gz SKSODTCEGGLQGD-GHMZBOCLSA-N 1 2 296.371 -1.127 20 0 CAADLO CCN(C(=O)c1nnn(C)n1)[C@@H]1CC[N@H+](CC(=O)NC)C1 ZINC001033923382 656734781 /nfs/dbraw/zinc/73/47/81/656734781.db2.gz RDFCHQZQAGSJGN-SECBINFHSA-N 1 2 295.347 -1.508 20 0 CAADLO CCN(C(=O)c1nnn(C)n1)[C@@H]1CC[N@@H+](CC(=O)NC)C1 ZINC001033923382 656734791 /nfs/dbraw/zinc/73/47/91/656734791.db2.gz RDFCHQZQAGSJGN-SECBINFHSA-N 1 2 295.347 -1.508 20 0 CAADLO CCN(C(=O)c1cnn(C)n1)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001033982702 656735075 /nfs/dbraw/zinc/73/50/75/656735075.db2.gz GTRABQWMIGXBPE-VIFPVBQESA-N 1 2 280.332 -1.163 20 0 CAADLO CCN(C(=O)c1cnn(C)n1)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033982702 656735080 /nfs/dbraw/zinc/73/50/80/656735080.db2.gz GTRABQWMIGXBPE-VIFPVBQESA-N 1 2 280.332 -1.163 20 0 CAADLO CCN(C(=O)[C@@H]1CNC(=O)N1)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001033939691 656735449 /nfs/dbraw/zinc/73/54/49/656735449.db2.gz ZPVCFFHKHOVDSQ-BDAKNGLRSA-N 1 2 283.332 -1.924 20 0 CAADLO CCN(C(=O)[C@@H]1CNC(=O)N1)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033939691 656735459 /nfs/dbraw/zinc/73/54/59/656735459.db2.gz ZPVCFFHKHOVDSQ-BDAKNGLRSA-N 1 2 283.332 -1.924 20 0 CAADLO Cn1cc(C(=O)N[C@@H]2CCCC[N@H+](CC(N)=O)C2)nn1 ZINC001034196346 656736239 /nfs/dbraw/zinc/73/62/39/656736239.db2.gz ZFDUQZRGSFXTKD-SECBINFHSA-N 1 2 280.332 -1.115 20 0 CAADLO Cn1cc(C(=O)N[C@@H]2CCCC[N@@H+](CC(N)=O)C2)nn1 ZINC001034196346 656736248 /nfs/dbraw/zinc/73/62/48/656736248.db2.gz ZFDUQZRGSFXTKD-SECBINFHSA-N 1 2 280.332 -1.115 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CCCC[C@@H](NC(=O)C(N)=O)C1 ZINC001034371831 656741000 /nfs/dbraw/zinc/74/10/00/656741000.db2.gz GDBNMCMSZCEBBU-HTQZYQBOSA-N 1 2 256.306 -1.684 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CCCC[C@@H](NC(=O)C(N)=O)C1 ZINC001034371831 656741011 /nfs/dbraw/zinc/74/10/11/656741011.db2.gz GDBNMCMSZCEBBU-HTQZYQBOSA-N 1 2 256.306 -1.684 20 0 CAADLO CNC(=O)C[N@@H+]1CCCC[C@H](NC(=O)c2nnn(C)n2)C1 ZINC001034352669 656741295 /nfs/dbraw/zinc/74/12/95/656741295.db2.gz ZPKURCNMRJHHLS-VIFPVBQESA-N 1 2 295.347 -1.460 20 0 CAADLO CNC(=O)C[N@H+]1CCCC[C@H](NC(=O)c2nnn(C)n2)C1 ZINC001034352669 656741302 /nfs/dbraw/zinc/74/13/02/656741302.db2.gz ZPKURCNMRJHHLS-VIFPVBQESA-N 1 2 295.347 -1.460 20 0 CAADLO CNC(=O)C[N@@H+]1CCCC[C@@H](NC(=O)c2nnn(C)n2)C1 ZINC001034352666 656742018 /nfs/dbraw/zinc/74/20/18/656742018.db2.gz ZPKURCNMRJHHLS-SECBINFHSA-N 1 2 295.347 -1.460 20 0 CAADLO CNC(=O)C[N@H+]1CCCC[C@@H](NC(=O)c2nnn(C)n2)C1 ZINC001034352666 656742029 /nfs/dbraw/zinc/74/20/29/656742029.db2.gz ZPKURCNMRJHHLS-SECBINFHSA-N 1 2 295.347 -1.460 20 0 CAADLO CNC(=O)C[N@H+]1CCCC[C@@H](NC(=O)C(N)=O)C1 ZINC001034372848 656743772 /nfs/dbraw/zinc/74/37/72/656743772.db2.gz PMOUIOHEJZTDFE-MRVPVSSYSA-N 1 2 256.306 -1.812 20 0 CAADLO CNC(=O)C[N@@H+]1CCCC[C@@H](NC(=O)C(N)=O)C1 ZINC001034372848 656743770 /nfs/dbraw/zinc/74/37/70/656743770.db2.gz PMOUIOHEJZTDFE-MRVPVSSYSA-N 1 2 256.306 -1.812 20 0 CAADLO NC(=O)C(=O)N[C@@H]1CCCC[N@H+](CC(=O)NC2CC2)C1 ZINC001034373198 656744192 /nfs/dbraw/zinc/74/41/92/656744192.db2.gz SNKUKVLDPDIUBY-SNVBAGLBSA-N 1 2 282.344 -1.279 20 0 CAADLO NC(=O)C(=O)N[C@@H]1CCCC[N@@H+](CC(=O)NC2CC2)C1 ZINC001034373198 656744196 /nfs/dbraw/zinc/74/41/96/656744196.db2.gz SNKUKVLDPDIUBY-SNVBAGLBSA-N 1 2 282.344 -1.279 20 0 CAADLO NC(=O)C[N@@H+]1CCCC[C@H](NC(=O)Cc2nc[nH]n2)C1 ZINC001034487487 656745565 /nfs/dbraw/zinc/74/55/65/656745565.db2.gz NYWGEYUBWPUVJP-VIFPVBQESA-N 1 2 280.332 -1.197 20 0 CAADLO NC(=O)C[N@H+]1CCCC[C@H](NC(=O)Cc2nc[nH]n2)C1 ZINC001034487487 656745572 /nfs/dbraw/zinc/74/55/72/656745572.db2.gz NYWGEYUBWPUVJP-VIFPVBQESA-N 1 2 280.332 -1.197 20 0 CAADLO NC(=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)Cn1cc[nH+]c1 ZINC001005671596 656748576 /nfs/dbraw/zinc/74/85/76/656748576.db2.gz LKKHWYNHVZYINH-BBBLOLIVSA-N 1 2 291.311 -1.384 20 0 CAADLO COCC(=O)N1CCC[C@@H]1C[NH2+]Cc1nnn(C)n1 ZINC001034832988 656750659 /nfs/dbraw/zinc/75/06/59/656750659.db2.gz SADPYSKEPARYSK-SECBINFHSA-N 1 2 268.321 -1.063 20 0 CAADLO C[C@H](C(=O)N1CC[N@H+](C)C[C@@H]1CO)n1cncn1 ZINC000703856787 656751397 /nfs/dbraw/zinc/75/13/97/656751397.db2.gz WMVLFXWLTQUVOR-NXEZZACHSA-N 1 2 253.306 -1.026 20 0 CAADLO C[C@H](C(=O)N1CC[N@@H+](C)C[C@@H]1CO)n1cncn1 ZINC000703856787 656751408 /nfs/dbraw/zinc/75/14/08/656751408.db2.gz WMVLFXWLTQUVOR-NXEZZACHSA-N 1 2 253.306 -1.026 20 0 CAADLO C[C@@H](C(=O)N1CC[N@H+](C)C[C@H]1CO)n1cncn1 ZINC000703856790 656751503 /nfs/dbraw/zinc/75/15/03/656751503.db2.gz WMVLFXWLTQUVOR-UWVGGRQHSA-N 1 2 253.306 -1.026 20 0 CAADLO C[C@@H](C(=O)N1CC[N@@H+](C)C[C@H]1CO)n1cncn1 ZINC000703856790 656751515 /nfs/dbraw/zinc/75/15/15/656751515.db2.gz WMVLFXWLTQUVOR-UWVGGRQHSA-N 1 2 253.306 -1.026 20 0 CAADLO NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCNC1=O)C2 ZINC001095569414 782190341 /nfs/dbraw/zinc/19/03/41/782190341.db2.gz REPCJOGQKSLCPQ-ZNSHCXBVSA-N 1 2 294.355 -1.281 20 0 CAADLO Cn1nnc(C[NH2+]C[C@H]2CCCN2C(=O)c2cnon2)n1 ZINC001035079926 656752671 /nfs/dbraw/zinc/75/26/71/656752671.db2.gz UXLWAAKRROFMON-MRVPVSSYSA-N 1 2 292.303 -1.013 20 0 CAADLO O=C(NC[C@H]1C[N@H+](CCO)CCO1)c1cnccn1 ZINC001035273678 656754204 /nfs/dbraw/zinc/75/42/04/656754204.db2.gz XCAGNVOVDBGROH-JTQLQIEISA-N 1 2 266.301 -1.101 20 0 CAADLO O=C(NC[C@H]1C[N@@H+](CCO)CCO1)c1cnccn1 ZINC001035273678 656754210 /nfs/dbraw/zinc/75/42/10/656754210.db2.gz XCAGNVOVDBGROH-JTQLQIEISA-N 1 2 266.301 -1.101 20 0 CAADLO CC(=O)NC[C@@H]1C[N@H+](C[C@H](O)CN2CCCC2=O)CCO1 ZINC001035262274 656754322 /nfs/dbraw/zinc/75/43/22/656754322.db2.gz WZPQCKZWJHIAKM-QWHCGFSZSA-N 1 2 299.371 -1.193 20 0 CAADLO CC(=O)NC[C@@H]1C[N@@H+](C[C@H](O)CN2CCCC2=O)CCO1 ZINC001035262274 656754327 /nfs/dbraw/zinc/75/43/27/656754327.db2.gz WZPQCKZWJHIAKM-QWHCGFSZSA-N 1 2 299.371 -1.193 20 0 CAADLO O=C(NC[C@@H]1C[N@H+](CCO)CCO1)c1cc[n+]([O-])cc1 ZINC001035276126 656754343 /nfs/dbraw/zinc/75/43/43/656754343.db2.gz LXIDHKYBTLYJRG-GFCCVEGCSA-N 1 2 281.312 -1.257 20 0 CAADLO O=C(NC[C@@H]1C[N@@H+](CCO)CCO1)c1cc[n+]([O-])cc1 ZINC001035276126 656754348 /nfs/dbraw/zinc/75/43/48/656754348.db2.gz LXIDHKYBTLYJRG-GFCCVEGCSA-N 1 2 281.312 -1.257 20 0 CAADLO O=C(NC[C@@H]1C[N@H+](CCO)CCO1)c1cn[nH]c1 ZINC001035296553 656754365 /nfs/dbraw/zinc/75/43/65/656754365.db2.gz KOVLTDZQZBXPBB-SNVBAGLBSA-N 1 2 254.290 -1.167 20 0 CAADLO O=C(NC[C@@H]1C[N@@H+](CCO)CCO1)c1cn[nH]c1 ZINC001035296553 656754370 /nfs/dbraw/zinc/75/43/70/656754370.db2.gz KOVLTDZQZBXPBB-SNVBAGLBSA-N 1 2 254.290 -1.167 20 0 CAADLO O=C(NC[C@H]1C[N@H+](CCO)CCO1)c1cc[n+]([O-])cc1 ZINC001035276128 656754558 /nfs/dbraw/zinc/75/45/58/656754558.db2.gz LXIDHKYBTLYJRG-LBPRGKRZSA-N 1 2 281.312 -1.257 20 0 CAADLO O=C(NC[C@H]1C[N@@H+](CCO)CCO1)c1cc[n+]([O-])cc1 ZINC001035276128 656754563 /nfs/dbraw/zinc/75/45/63/656754563.db2.gz LXIDHKYBTLYJRG-LBPRGKRZSA-N 1 2 281.312 -1.257 20 0 CAADLO CC(=O)NC[C@H]1C[N@H+](C[C@H](O)CN2CCCC2=O)CCO1 ZINC001035262275 656754744 /nfs/dbraw/zinc/75/47/44/656754744.db2.gz WZPQCKZWJHIAKM-STQMWFEESA-N 1 2 299.371 -1.193 20 0 CAADLO CC(=O)NC[C@H]1C[N@@H+](C[C@H](O)CN2CCCC2=O)CCO1 ZINC001035262275 656754748 /nfs/dbraw/zinc/75/47/48/656754748.db2.gz WZPQCKZWJHIAKM-STQMWFEESA-N 1 2 299.371 -1.193 20 0 CAADLO O=C(NC[C@@H]1C[N@H+](CCO)CCO1)c1cnccn1 ZINC001035273679 656754830 /nfs/dbraw/zinc/75/48/30/656754830.db2.gz XCAGNVOVDBGROH-SNVBAGLBSA-N 1 2 266.301 -1.101 20 0 CAADLO O=C(NC[C@@H]1C[N@@H+](CCO)CCO1)c1cnccn1 ZINC001035273679 656754839 /nfs/dbraw/zinc/75/48/39/656754839.db2.gz XCAGNVOVDBGROH-SNVBAGLBSA-N 1 2 266.301 -1.101 20 0 CAADLO O=C(NC[C@H]1C[N@H+](CCO)CCO1)c1ccc(=O)[nH]n1 ZINC001035278328 656755871 /nfs/dbraw/zinc/75/58/71/656755871.db2.gz AKWLJJAFIDQXRB-VIFPVBQESA-N 1 2 282.300 -1.395 20 0 CAADLO O=C(NC[C@H]1C[N@@H+](CCO)CCO1)c1ccc(=O)[nH]n1 ZINC001035278328 656755873 /nfs/dbraw/zinc/75/58/73/656755873.db2.gz AKWLJJAFIDQXRB-VIFPVBQESA-N 1 2 282.300 -1.395 20 0 CAADLO Cn1nccc1C(=O)NC[C@H]1C[N@H+](CCO)CCO1 ZINC001035302341 656756388 /nfs/dbraw/zinc/75/63/88/656756388.db2.gz FAEFHSMJCBCQSV-JTQLQIEISA-N 1 2 268.317 -1.157 20 0 CAADLO Cn1nccc1C(=O)NC[C@H]1C[N@@H+](CCO)CCO1 ZINC001035302341 656756392 /nfs/dbraw/zinc/75/63/92/656756392.db2.gz FAEFHSMJCBCQSV-JTQLQIEISA-N 1 2 268.317 -1.157 20 0 CAADLO O=C(NC[C@@H]1C[N@H+](CCO)CCO1)[C@@H]1COCCO1 ZINC001035302836 656756482 /nfs/dbraw/zinc/75/64/82/656756482.db2.gz MAEYMWGCFUZRDS-MNOVXSKESA-N 1 2 274.317 -1.789 20 0 CAADLO O=C(NC[C@@H]1C[N@@H+](CCO)CCO1)[C@@H]1COCCO1 ZINC001035302836 656756486 /nfs/dbraw/zinc/75/64/86/656756486.db2.gz MAEYMWGCFUZRDS-MNOVXSKESA-N 1 2 274.317 -1.789 20 0 CAADLO O=C(NC[C@@H]1C[N@H+](CCO)CCO1)[C@@H]1CCCO1 ZINC001035277187 656756520 /nfs/dbraw/zinc/75/65/20/656756520.db2.gz IMMBKLJIWGGCBR-MNOVXSKESA-N 1 2 258.318 -1.025 20 0 CAADLO O=C(NC[C@@H]1C[N@@H+](CCO)CCO1)[C@@H]1CCCO1 ZINC001035277187 656756524 /nfs/dbraw/zinc/75/65/24/656756524.db2.gz IMMBKLJIWGGCBR-MNOVXSKESA-N 1 2 258.318 -1.025 20 0 CAADLO O=C(NC[C@H]1C[N@H+](CCO)CCO1)[C@@H]1CCOC1 ZINC001035306105 656756962 /nfs/dbraw/zinc/75/69/62/656756962.db2.gz HFDNQVJPNFEHCJ-MNOVXSKESA-N 1 2 258.318 -1.168 20 0 CAADLO O=C(NC[C@H]1C[N@@H+](CCO)CCO1)[C@@H]1CCOC1 ZINC001035306105 656756965 /nfs/dbraw/zinc/75/69/65/656756965.db2.gz HFDNQVJPNFEHCJ-MNOVXSKESA-N 1 2 258.318 -1.168 20 0 CAADLO O=C(NC[C@@H]1C[N@H+](CCO)CCO1)[C@H]1CCC(=O)N1 ZINC001035315899 656757607 /nfs/dbraw/zinc/75/76/07/656757607.db2.gz GCCIPGSRDAQYCD-NXEZZACHSA-N 1 2 271.317 -1.926 20 0 CAADLO O=C(NC[C@@H]1C[N@@H+](CCO)CCO1)[C@H]1CCC(=O)N1 ZINC001035315899 656757612 /nfs/dbraw/zinc/75/76/12/656757612.db2.gz GCCIPGSRDAQYCD-NXEZZACHSA-N 1 2 271.317 -1.926 20 0 CAADLO O=C(NC[C@H]1C[N@H+](CCO)CCO1)[C@@H]1CCNC(=O)C1 ZINC001035336440 656758059 /nfs/dbraw/zinc/75/80/59/656758059.db2.gz WTRPCAPSLQMHHV-MNOVXSKESA-N 1 2 285.344 -1.678 20 0 CAADLO O=C(NC[C@H]1C[N@@H+](CCO)CCO1)[C@@H]1CCNC(=O)C1 ZINC001035336440 656758065 /nfs/dbraw/zinc/75/80/65/656758065.db2.gz WTRPCAPSLQMHHV-MNOVXSKESA-N 1 2 285.344 -1.678 20 0 CAADLO Cc1c(C(=O)NC[C@@H]2C[N@H+](CCCO)CCO2)nnn1C ZINC001035319572 656758391 /nfs/dbraw/zinc/75/83/91/656758391.db2.gz JOURLTXOBUQTCJ-LLVKDONJSA-N 1 2 297.359 -1.063 20 0 CAADLO Cc1c(C(=O)NC[C@@H]2C[N@@H+](CCCO)CCO2)nnn1C ZINC001035319572 656758399 /nfs/dbraw/zinc/75/83/99/656758399.db2.gz JOURLTXOBUQTCJ-LLVKDONJSA-N 1 2 297.359 -1.063 20 0 CAADLO C[C@@H](O)C[N@@H+]1CCO[C@H](CNC(=O)c2nccnc2N)C1 ZINC001035319798 656758431 /nfs/dbraw/zinc/75/84/31/656758431.db2.gz NAZOYURBVLSRBJ-NXEZZACHSA-N 1 2 295.343 -1.130 20 0 CAADLO C[C@@H](O)C[N@H+]1CCO[C@H](CNC(=O)c2nccnc2N)C1 ZINC001035319798 656758435 /nfs/dbraw/zinc/75/84/35/656758435.db2.gz NAZOYURBVLSRBJ-NXEZZACHSA-N 1 2 295.343 -1.130 20 0 CAADLO COCC[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CCNC(=O)C2)C1 ZINC001035336821 656758472 /nfs/dbraw/zinc/75/84/72/656758472.db2.gz YCDUBSUZIUVOAK-VXGBXAGGSA-N 1 2 299.371 -1.024 20 0 CAADLO COCC[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CCNC(=O)C2)C1 ZINC001035336821 656758477 /nfs/dbraw/zinc/75/84/77/656758477.db2.gz YCDUBSUZIUVOAK-VXGBXAGGSA-N 1 2 299.371 -1.024 20 0 CAADLO C[C@H](O)C[N@@H+]1CCO[C@H](CNC(=O)c2nccnc2N)C1 ZINC001035319807 656758529 /nfs/dbraw/zinc/75/85/29/656758529.db2.gz NAZOYURBVLSRBJ-VHSXEESVSA-N 1 2 295.343 -1.130 20 0 CAADLO C[C@H](O)C[N@H+]1CCO[C@H](CNC(=O)c2nccnc2N)C1 ZINC001035319807 656758532 /nfs/dbraw/zinc/75/85/32/656758532.db2.gz NAZOYURBVLSRBJ-VHSXEESVSA-N 1 2 295.343 -1.130 20 0 CAADLO Nc1nccnc1C(=O)NC[C@@H]1C[N@H+](CCO)CCO1 ZINC001035321861 656758630 /nfs/dbraw/zinc/75/86/30/656758630.db2.gz ZMISKFIRWBCYNU-SECBINFHSA-N 1 2 281.316 -1.518 20 0 CAADLO Nc1nccnc1C(=O)NC[C@@H]1C[N@@H+](CCO)CCO1 ZINC001035321861 656758635 /nfs/dbraw/zinc/75/86/35/656758635.db2.gz ZMISKFIRWBCYNU-SECBINFHSA-N 1 2 281.316 -1.518 20 0 CAADLO Cc1c(C(=O)NC[C@@H]2C[N@H+](C[C@@H](C)O)CCO2)nnn1C ZINC001035319202 656758841 /nfs/dbraw/zinc/75/88/41/656758841.db2.gz HFCAHBNPYAVNHL-MWLCHTKSSA-N 1 2 297.359 -1.065 20 0 CAADLO Cc1c(C(=O)NC[C@@H]2C[N@@H+](C[C@@H](C)O)CCO2)nnn1C ZINC001035319202 656758848 /nfs/dbraw/zinc/75/88/48/656758848.db2.gz HFCAHBNPYAVNHL-MWLCHTKSSA-N 1 2 297.359 -1.065 20 0 CAADLO CN1CCOC[C@@H]1C(=O)NC[C@H]1C[N@H+](CCO)CCO1 ZINC001035343121 656759528 /nfs/dbraw/zinc/75/95/28/656759528.db2.gz SLVAWXYUBLCROQ-NWDGAFQWSA-N 1 2 287.360 -1.874 20 0 CAADLO CN1CCOC[C@@H]1C(=O)NC[C@H]1C[N@@H+](CCO)CCO1 ZINC001035343121 656759538 /nfs/dbraw/zinc/75/95/38/656759538.db2.gz SLVAWXYUBLCROQ-NWDGAFQWSA-N 1 2 287.360 -1.874 20 0 CAADLO C[C@H]1CC(=O)N[C@@H](C(=O)NC[C@@H]2C[N@H+](CCO)CCO2)C1 ZINC001035372915 656759588 /nfs/dbraw/zinc/75/95/88/656759588.db2.gz NULDBBGPLJLSRC-IJLUTSLNSA-N 1 2 299.371 -1.290 20 0 CAADLO C[C@H]1CC(=O)N[C@@H](C(=O)NC[C@@H]2C[N@@H+](CCO)CCO2)C1 ZINC001035372915 656759596 /nfs/dbraw/zinc/75/95/96/656759596.db2.gz NULDBBGPLJLSRC-IJLUTSLNSA-N 1 2 299.371 -1.290 20 0 CAADLO CCn1nncc1C(=O)NC[C@H]1C[N@H+](CCO)CCO1 ZINC001035368673 656760027 /nfs/dbraw/zinc/76/00/27/656760027.db2.gz RDYYMMMGUDTHEQ-JTQLQIEISA-N 1 2 283.332 -1.279 20 0 CAADLO CCn1nncc1C(=O)NC[C@H]1C[N@@H+](CCO)CCO1 ZINC001035368673 656760031 /nfs/dbraw/zinc/76/00/31/656760031.db2.gz RDYYMMMGUDTHEQ-JTQLQIEISA-N 1 2 283.332 -1.279 20 0 CAADLO CCn1nncc1C(=O)NC[C@@H]1C[N@H+](CCO)CCO1 ZINC001035368674 656760151 /nfs/dbraw/zinc/76/01/51/656760151.db2.gz RDYYMMMGUDTHEQ-SNVBAGLBSA-N 1 2 283.332 -1.279 20 0 CAADLO CCn1nncc1C(=O)NC[C@@H]1C[N@@H+](CCO)CCO1 ZINC001035368674 656760154 /nfs/dbraw/zinc/76/01/54/656760154.db2.gz RDYYMMMGUDTHEQ-SNVBAGLBSA-N 1 2 283.332 -1.279 20 0 CAADLO Cn1cnc(C(=O)NC[C@@H]2C[N@H+](CCO)CCO2)c1 ZINC001035337489 656760269 /nfs/dbraw/zinc/76/02/69/656760269.db2.gz IOKYSXLBHKUUPG-SNVBAGLBSA-N 1 2 268.317 -1.157 20 0 CAADLO Cn1cnc(C(=O)NC[C@@H]2C[N@@H+](CCO)CCO2)c1 ZINC001035337489 656760276 /nfs/dbraw/zinc/76/02/76/656760276.db2.gz IOKYSXLBHKUUPG-SNVBAGLBSA-N 1 2 268.317 -1.157 20 0 CAADLO COc1cc(C(=O)NC[C@@H]2C[N@H+](CCO)CCO2)ncn1 ZINC001035368385 656760319 /nfs/dbraw/zinc/76/03/19/656760319.db2.gz QADLGULDOKEPBY-SNVBAGLBSA-N 1 2 296.327 -1.092 20 0 CAADLO COc1cc(C(=O)NC[C@@H]2C[N@@H+](CCO)CCO2)ncn1 ZINC001035368385 656760324 /nfs/dbraw/zinc/76/03/24/656760324.db2.gz QADLGULDOKEPBY-SNVBAGLBSA-N 1 2 296.327 -1.092 20 0 CAADLO Cn1oc(C(=O)NC[C@@H]2C[N@H+](CCO)CCO2)cc1=O ZINC001035344455 656760373 /nfs/dbraw/zinc/76/03/73/656760373.db2.gz CGSFHCDEIMTKET-SECBINFHSA-N 1 2 285.300 -1.599 20 0 CAADLO Cn1oc(C(=O)NC[C@@H]2C[N@@H+](CCO)CCO2)cc1=O ZINC001035344455 656760379 /nfs/dbraw/zinc/76/03/79/656760379.db2.gz CGSFHCDEIMTKET-SECBINFHSA-N 1 2 285.300 -1.599 20 0 CAADLO CC(=O)N1CC(C(=O)NC[C@H]2C[N@H+](CCO)CCO2)C1 ZINC001035351760 656760861 /nfs/dbraw/zinc/76/08/61/656760861.db2.gz BVNUDGRHEUSITE-LBPRGKRZSA-N 1 2 285.344 -1.726 20 0 CAADLO CC(=O)N1CC(C(=O)NC[C@H]2C[N@@H+](CCO)CCO2)C1 ZINC001035351760 656760864 /nfs/dbraw/zinc/76/08/64/656760864.db2.gz BVNUDGRHEUSITE-LBPRGKRZSA-N 1 2 285.344 -1.726 20 0 CAADLO COCC[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2COC(=O)N2)C1 ZINC001035356330 656760925 /nfs/dbraw/zinc/76/09/25/656760925.db2.gz QHBGJEMHEXUESQ-ZJUUUORDSA-N 1 2 287.316 -1.442 20 0 CAADLO COCC[N@H+]1CCO[C@H](CNC(=O)[C@@H]2COC(=O)N2)C1 ZINC001035356330 656760932 /nfs/dbraw/zinc/76/09/32/656760932.db2.gz QHBGJEMHEXUESQ-ZJUUUORDSA-N 1 2 287.316 -1.442 20 0 CAADLO COCC[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2COC(=O)N2)C1 ZINC001035356329 656761017 /nfs/dbraw/zinc/76/10/17/656761017.db2.gz QHBGJEMHEXUESQ-VHSXEESVSA-N 1 2 287.316 -1.442 20 0 CAADLO COCC[N@H+]1CCO[C@@H](CNC(=O)[C@H]2COC(=O)N2)C1 ZINC001035356329 656761022 /nfs/dbraw/zinc/76/10/22/656761022.db2.gz QHBGJEMHEXUESQ-VHSXEESVSA-N 1 2 287.316 -1.442 20 0 CAADLO Cn1nncc1C(=O)NC[C@H]1C[N@H+](CCO)CCO1 ZINC001035352651 656761047 /nfs/dbraw/zinc/76/10/47/656761047.db2.gz ULAKXLOFDNTCEE-VIFPVBQESA-N 1 2 269.305 -1.762 20 0 CAADLO Cn1nncc1C(=O)NC[C@H]1C[N@@H+](CCO)CCO1 ZINC001035352651 656761051 /nfs/dbraw/zinc/76/10/51/656761051.db2.gz ULAKXLOFDNTCEE-VIFPVBQESA-N 1 2 269.305 -1.762 20 0 CAADLO COCC[N@@H+]1CCO[C@H](CNC(=O)c2ncn(C)n2)C1 ZINC001035357843 656761162 /nfs/dbraw/zinc/76/11/62/656761162.db2.gz HKWDZEZBCGWVLU-SNVBAGLBSA-N 1 2 283.332 -1.108 20 0 CAADLO COCC[N@H+]1CCO[C@H](CNC(=O)c2ncn(C)n2)C1 ZINC001035357843 656761163 /nfs/dbraw/zinc/76/11/63/656761163.db2.gz HKWDZEZBCGWVLU-SNVBAGLBSA-N 1 2 283.332 -1.108 20 0 CAADLO O=C(NC[C@H]1C[N@H+](CCO)CCO1)[C@H]1COC(=O)N1 ZINC001035353811 656761269 /nfs/dbraw/zinc/76/12/69/656761269.db2.gz FTSBXTXUJUFBIY-DTWKUNHWSA-N 1 2 273.289 -2.096 20 0 CAADLO O=C(NC[C@H]1C[N@@H+](CCO)CCO1)[C@H]1COC(=O)N1 ZINC001035353811 656761272 /nfs/dbraw/zinc/76/12/72/656761272.db2.gz FTSBXTXUJUFBIY-DTWKUNHWSA-N 1 2 273.289 -2.096 20 0 CAADLO COCC[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2COC(=O)N2)C1 ZINC001035356328 656761334 /nfs/dbraw/zinc/76/13/34/656761334.db2.gz QHBGJEMHEXUESQ-UWVGGRQHSA-N 1 2 287.316 -1.442 20 0 CAADLO COCC[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2COC(=O)N2)C1 ZINC001035356328 656761339 /nfs/dbraw/zinc/76/13/39/656761339.db2.gz QHBGJEMHEXUESQ-UWVGGRQHSA-N 1 2 287.316 -1.442 20 0 CAADLO O=C(NC[C@H]1C[N@@H+](CCO)CCO1)[C@@H]1COC(=O)N1 ZINC001035353814 656761451 /nfs/dbraw/zinc/76/14/51/656761451.db2.gz FTSBXTXUJUFBIY-IUCAKERBSA-N 1 2 273.289 -2.096 20 0 CAADLO COCC[N@@H+]1CCO[C@@H](CNC(=O)C2CN(C(C)=O)C2)C1 ZINC001035354676 656761381 /nfs/dbraw/zinc/76/13/81/656761381.db2.gz VOTDWWRXFHCNLS-ZDUSSCGKSA-N 1 2 299.371 -1.072 20 0 CAADLO COCC[N@H+]1CCO[C@@H](CNC(=O)C2CN(C(C)=O)C2)C1 ZINC001035354676 656761384 /nfs/dbraw/zinc/76/13/84/656761384.db2.gz VOTDWWRXFHCNLS-ZDUSSCGKSA-N 1 2 299.371 -1.072 20 0 CAADLO O=C(NC[C@H]1C[N@H+](CCO)CCO1)[C@@H]1COC(=O)N1 ZINC001035353814 656761449 /nfs/dbraw/zinc/76/14/49/656761449.db2.gz FTSBXTXUJUFBIY-IUCAKERBSA-N 1 2 273.289 -2.096 20 0 CAADLO Cn1cnc(C(=O)NC[C@H]2C[N@H+](CCCO)CCO2)n1 ZINC001035360268 656761517 /nfs/dbraw/zinc/76/15/17/656761517.db2.gz XYHJRUADFGXZGB-JTQLQIEISA-N 1 2 283.332 -1.372 20 0 CAADLO Cn1cnc(C(=O)NC[C@H]2C[N@@H+](CCCO)CCO2)n1 ZINC001035360268 656761521 /nfs/dbraw/zinc/76/15/21/656761521.db2.gz XYHJRUADFGXZGB-JTQLQIEISA-N 1 2 283.332 -1.372 20 0 CAADLO Cn1nncc1C(=O)NC[C@@H]1C[N@H+](CCO)CCO1 ZINC001035352650 656761596 /nfs/dbraw/zinc/76/15/96/656761596.db2.gz ULAKXLOFDNTCEE-SECBINFHSA-N 1 2 269.305 -1.762 20 0 CAADLO Cn1nncc1C(=O)NC[C@@H]1C[N@@H+](CCO)CCO1 ZINC001035352650 656761600 /nfs/dbraw/zinc/76/16/00/656761600.db2.gz ULAKXLOFDNTCEE-SECBINFHSA-N 1 2 269.305 -1.762 20 0 CAADLO C[C@H](O)C[N@@H+]1CCO[C@H](CNC(=O)c2ncn(C)n2)C1 ZINC001035363537 656762504 /nfs/dbraw/zinc/76/25/04/656762504.db2.gz TWLDKYAMMIDLPS-VHSXEESVSA-N 1 2 283.332 -1.374 20 0 CAADLO C[C@H](O)C[N@H+]1CCO[C@H](CNC(=O)c2ncn(C)n2)C1 ZINC001035363537 656762511 /nfs/dbraw/zinc/76/25/11/656762511.db2.gz TWLDKYAMMIDLPS-VHSXEESVSA-N 1 2 283.332 -1.374 20 0 CAADLO COCC[N@@H+]1CCO[C@H](CNC(=O)[C@H]2CC(=O)N(C)C2)C1 ZINC001035389599 656762611 /nfs/dbraw/zinc/76/26/11/656762611.db2.gz OZJNTSPMOOFBPF-NWDGAFQWSA-N 1 2 299.371 -1.072 20 0 CAADLO COCC[N@H+]1CCO[C@H](CNC(=O)[C@H]2CC(=O)N(C)C2)C1 ZINC001035389599 656762615 /nfs/dbraw/zinc/76/26/15/656762615.db2.gz OZJNTSPMOOFBPF-NWDGAFQWSA-N 1 2 299.371 -1.072 20 0 CAADLO C[C@H](O)C[N@@H+]1CCO[C@@H](CNC(=O)c2cn(C)nn2)C1 ZINC001035362051 656762771 /nfs/dbraw/zinc/76/27/71/656762771.db2.gz LJNALPMNXSNJRO-UWVGGRQHSA-N 1 2 283.332 -1.374 20 0 CAADLO C[C@H](O)C[N@H+]1CCO[C@@H](CNC(=O)c2cn(C)nn2)C1 ZINC001035362051 656762782 /nfs/dbraw/zinc/76/27/82/656762782.db2.gz LJNALPMNXSNJRO-UWVGGRQHSA-N 1 2 283.332 -1.374 20 0 CAADLO O=C(NC[C@H]1C[N@H+](CCO)CCO1)[C@@H]1CCC(=O)NC1 ZINC001035422709 656763504 /nfs/dbraw/zinc/76/35/04/656763504.db2.gz FHQCWQORPQYPMB-MNOVXSKESA-N 1 2 285.344 -1.678 20 0 CAADLO O=C(NC[C@H]1C[N@@H+](CCO)CCO1)[C@@H]1CCC(=O)NC1 ZINC001035422709 656763509 /nfs/dbraw/zinc/76/35/09/656763509.db2.gz FHQCWQORPQYPMB-MNOVXSKESA-N 1 2 285.344 -1.678 20 0 CAADLO COCC[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCCNC2=O)C1 ZINC001035410688 656764066 /nfs/dbraw/zinc/76/40/66/656764066.db2.gz WHOCYFAGNNMHFI-NWDGAFQWSA-N 1 2 299.371 -1.024 20 0 CAADLO COCC[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCCNC2=O)C1 ZINC001035410688 656764072 /nfs/dbraw/zinc/76/40/72/656764072.db2.gz WHOCYFAGNNMHFI-NWDGAFQWSA-N 1 2 299.371 -1.024 20 0 CAADLO O=C(NC[C@@H]1C[N@H+](CCO)CCO1)[C@H]1CCC(=O)NC1 ZINC001035422711 656764224 /nfs/dbraw/zinc/76/42/24/656764224.db2.gz FHQCWQORPQYPMB-WDEREUQCSA-N 1 2 285.344 -1.678 20 0 CAADLO O=C(NC[C@@H]1C[N@@H+](CCO)CCO1)[C@H]1CCC(=O)NC1 ZINC001035422711 656764229 /nfs/dbraw/zinc/76/42/29/656764229.db2.gz FHQCWQORPQYPMB-WDEREUQCSA-N 1 2 285.344 -1.678 20 0 CAADLO O=C(NC[C@@H]1C[N@H+](CCO)CCO1)[C@H]1CCCNC1=O ZINC001035411039 656764351 /nfs/dbraw/zinc/76/43/51/656764351.db2.gz ZIJVSOCQUQBYGG-MNOVXSKESA-N 1 2 285.344 -1.678 20 0 CAADLO O=C(NC[C@@H]1C[N@@H+](CCO)CCO1)[C@H]1CCCNC1=O ZINC001035411039 656764360 /nfs/dbraw/zinc/76/43/60/656764360.db2.gz ZIJVSOCQUQBYGG-MNOVXSKESA-N 1 2 285.344 -1.678 20 0 CAADLO COCC[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CCCNC2=O)C1 ZINC001035410690 656764487 /nfs/dbraw/zinc/76/44/87/656764487.db2.gz WHOCYFAGNNMHFI-VXGBXAGGSA-N 1 2 299.371 -1.024 20 0 CAADLO COCC[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CCCNC2=O)C1 ZINC001035410690 656764490 /nfs/dbraw/zinc/76/44/90/656764490.db2.gz WHOCYFAGNNMHFI-VXGBXAGGSA-N 1 2 299.371 -1.024 20 0 CAADLO COCC[N@@H+]1CCO[C@H](CNC(=O)[C@H]2CCC(=O)NC2)C1 ZINC001035422668 656764521 /nfs/dbraw/zinc/76/45/21/656764521.db2.gz DRFYYUUPVWSJED-NWDGAFQWSA-N 1 2 299.371 -1.024 20 0 CAADLO COCC[N@H+]1CCO[C@H](CNC(=O)[C@H]2CCC(=O)NC2)C1 ZINC001035422668 656764525 /nfs/dbraw/zinc/76/45/25/656764525.db2.gz DRFYYUUPVWSJED-NWDGAFQWSA-N 1 2 299.371 -1.024 20 0 CAADLO COCC[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2CCCNC2=O)C1 ZINC001035410689 656764560 /nfs/dbraw/zinc/76/45/60/656764560.db2.gz WHOCYFAGNNMHFI-RYUDHWBXSA-N 1 2 299.371 -1.024 20 0 CAADLO COCC[N@H+]1CCO[C@@H](CNC(=O)[C@H]2CCCNC2=O)C1 ZINC001035410689 656764566 /nfs/dbraw/zinc/76/45/66/656764566.db2.gz WHOCYFAGNNMHFI-RYUDHWBXSA-N 1 2 299.371 -1.024 20 0 CAADLO O=C(NC[C@H]1C[N@H+](CCO)CCO1)[C@H]1CCCNC1=O ZINC001035411040 656764623 /nfs/dbraw/zinc/76/46/23/656764623.db2.gz ZIJVSOCQUQBYGG-QWRGUYRKSA-N 1 2 285.344 -1.678 20 0 CAADLO O=C(NC[C@H]1C[N@@H+](CCO)CCO1)[C@H]1CCCNC1=O ZINC001035411040 656764632 /nfs/dbraw/zinc/76/46/32/656764632.db2.gz ZIJVSOCQUQBYGG-QWRGUYRKSA-N 1 2 285.344 -1.678 20 0 CAADLO O=C(NC[C@@H]1C[N@H+](CCO)CCO1)[C@@H]1CCCNC1=O ZINC001035411037 656764652 /nfs/dbraw/zinc/76/46/52/656764652.db2.gz ZIJVSOCQUQBYGG-GHMZBOCLSA-N 1 2 285.344 -1.678 20 0 CAADLO O=C(NC[C@@H]1C[N@@H+](CCO)CCO1)[C@@H]1CCCNC1=O ZINC001035411037 656764658 /nfs/dbraw/zinc/76/46/58/656764658.db2.gz ZIJVSOCQUQBYGG-GHMZBOCLSA-N 1 2 285.344 -1.678 20 0 CAADLO Cc1[nH]c(=O)[nH]c1C(=O)NC[C@H]1C[N@H+](CCO)CCO1 ZINC001035404892 656764848 /nfs/dbraw/zinc/76/48/48/656764848.db2.gz RXUAGRNKNPQCST-VIFPVBQESA-N 1 2 284.316 -1.153 20 0 CAADLO Cc1[nH]c(=O)[nH]c1C(=O)NC[C@H]1C[N@@H+](CCO)CCO1 ZINC001035404892 656764866 /nfs/dbraw/zinc/76/48/66/656764866.db2.gz RXUAGRNKNPQCST-VIFPVBQESA-N 1 2 284.316 -1.153 20 0 CAADLO Cn1c(=O)[nH]cc1C(=O)NC[C@H]1C[N@H+](CCO)CCO1 ZINC001035472061 656765349 /nfs/dbraw/zinc/76/53/49/656765349.db2.gz YVUUEYFBGOWDQF-VIFPVBQESA-N 1 2 284.316 -1.451 20 0 CAADLO Cn1c(=O)[nH]cc1C(=O)NC[C@H]1C[N@@H+](CCO)CCO1 ZINC001035472061 656765352 /nfs/dbraw/zinc/76/53/52/656765352.db2.gz YVUUEYFBGOWDQF-VIFPVBQESA-N 1 2 284.316 -1.451 20 0 CAADLO Cn1cncc1C(=O)NC[C@H]1C[N@H+](CCO)CCO1 ZINC001035431611 656766254 /nfs/dbraw/zinc/76/62/54/656766254.db2.gz ONMGSMMKAJXIMD-JTQLQIEISA-N 1 2 268.317 -1.157 20 0 CAADLO Cn1cncc1C(=O)NC[C@H]1C[N@@H+](CCO)CCO1 ZINC001035431611 656766269 /nfs/dbraw/zinc/76/62/69/656766269.db2.gz ONMGSMMKAJXIMD-JTQLQIEISA-N 1 2 268.317 -1.157 20 0 CAADLO C[C@@H](O)C[N@@H+]1CCO[C@@H](CNC(=O)c2cn[nH]n2)C1 ZINC001035431875 656766308 /nfs/dbraw/zinc/76/63/08/656766308.db2.gz WFGXJCQXCQJJHE-BDAKNGLRSA-N 1 2 269.305 -1.384 20 0 CAADLO C[C@@H](O)C[N@H+]1CCO[C@@H](CNC(=O)c2cn[nH]n2)C1 ZINC001035431875 656766325 /nfs/dbraw/zinc/76/63/25/656766325.db2.gz WFGXJCQXCQJJHE-BDAKNGLRSA-N 1 2 269.305 -1.384 20 0 CAADLO NC(=O)c1cc(C(=O)NC[C@@H]2C[N@H+](CCO)CCO2)co1 ZINC001035453767 656766589 /nfs/dbraw/zinc/76/65/89/656766589.db2.gz FPZHPUXXWSPPQX-SNVBAGLBSA-N 1 2 297.311 -1.199 20 0 CAADLO NC(=O)c1cc(C(=O)NC[C@@H]2C[N@@H+](CCO)CCO2)co1 ZINC001035453767 656766594 /nfs/dbraw/zinc/76/65/94/656766594.db2.gz FPZHPUXXWSPPQX-SNVBAGLBSA-N 1 2 297.311 -1.199 20 0 CAADLO COc1nccc(C(=O)NC[C@@H]2C[N@H+](CCO)CCO2)n1 ZINC001035438399 656766713 /nfs/dbraw/zinc/76/67/13/656766713.db2.gz LQNIAJRAMJDXBK-SNVBAGLBSA-N 1 2 296.327 -1.092 20 0 CAADLO COc1nccc(C(=O)NC[C@@H]2C[N@@H+](CCO)CCO2)n1 ZINC001035438399 656766716 /nfs/dbraw/zinc/76/67/16/656766716.db2.gz LQNIAJRAMJDXBK-SNVBAGLBSA-N 1 2 296.327 -1.092 20 0 CAADLO O=C(NC[C@@H]1C[N@H+](CCO)CCO1)[C@@H]1CCNC1=O ZINC001035471634 656767241 /nfs/dbraw/zinc/76/72/41/656767241.db2.gz UOYYJFSKVIYBOL-NXEZZACHSA-N 1 2 271.317 -2.068 20 0 CAADLO O=C(NC[C@@H]1C[N@@H+](CCO)CCO1)[C@@H]1CCNC1=O ZINC001035471634 656767250 /nfs/dbraw/zinc/76/72/50/656767250.db2.gz UOYYJFSKVIYBOL-NXEZZACHSA-N 1 2 271.317 -2.068 20 0 CAADLO NC(=O)c1ccc(C(=O)NC[C@H]2C[N@H+](CCO)CCO2)o1 ZINC001035442130 656767268 /nfs/dbraw/zinc/76/72/68/656767268.db2.gz NKILXIPSBNIJBD-VIFPVBQESA-N 1 2 297.311 -1.199 20 0 CAADLO NC(=O)c1ccc(C(=O)NC[C@H]2C[N@@H+](CCO)CCO2)o1 ZINC001035442130 656767278 /nfs/dbraw/zinc/76/72/78/656767278.db2.gz NKILXIPSBNIJBD-VIFPVBQESA-N 1 2 297.311 -1.199 20 0 CAADLO C[C@H](O)C[N@@H+]1CCO[C@H](CNC(=O)c2nnn(C)n2)C1 ZINC001035475567 656767735 /nfs/dbraw/zinc/76/77/35/656767735.db2.gz QQFVMNKMPPNYFP-DTWKUNHWSA-N 1 2 284.320 -1.979 20 0 CAADLO C[C@H](O)C[N@H+]1CCO[C@H](CNC(=O)c2nnn(C)n2)C1 ZINC001035475567 656767740 /nfs/dbraw/zinc/76/77/40/656767740.db2.gz QQFVMNKMPPNYFP-DTWKUNHWSA-N 1 2 284.320 -1.979 20 0 CAADLO COCC[N@@H+]1CCO[C@@H](CNC(=O)c2nnn(C)n2)C1 ZINC001035475149 656767803 /nfs/dbraw/zinc/76/78/03/656767803.db2.gz MZJQPMHRFFLBBH-VIFPVBQESA-N 1 2 284.320 -1.713 20 0 CAADLO COCC[N@H+]1CCO[C@@H](CNC(=O)c2nnn(C)n2)C1 ZINC001035475149 656767806 /nfs/dbraw/zinc/76/78/06/656767806.db2.gz MZJQPMHRFFLBBH-VIFPVBQESA-N 1 2 284.320 -1.713 20 0 CAADLO COC[C@@H](C)[N@@H+]1CCO[C@@H](CNC(=O)c2nnn(C)n2)C1 ZINC001035475402 656768332 /nfs/dbraw/zinc/76/83/32/656768332.db2.gz OYYMZRRWAFPVOH-ZJUUUORDSA-N 1 2 298.347 -1.324 20 0 CAADLO COC[C@@H](C)[N@H+]1CCO[C@@H](CNC(=O)c2nnn(C)n2)C1 ZINC001035475402 656768345 /nfs/dbraw/zinc/76/83/45/656768345.db2.gz OYYMZRRWAFPVOH-ZJUUUORDSA-N 1 2 298.347 -1.324 20 0 CAADLO CN1CC[C@H](C(=O)NC[C@@H]2C[N@H+](CCO)CCO2)C1=O ZINC001035475236 656768395 /nfs/dbraw/zinc/76/83/95/656768395.db2.gz BWOXNUURZOFGBV-GHMZBOCLSA-N 1 2 285.344 -1.726 20 0 CAADLO CN1CC[C@H](C(=O)NC[C@@H]2C[N@@H+](CCO)CCO2)C1=O ZINC001035475236 656768399 /nfs/dbraw/zinc/76/83/99/656768399.db2.gz BWOXNUURZOFGBV-GHMZBOCLSA-N 1 2 285.344 -1.726 20 0 CAADLO CO[C@@H](C)C[N@@H+]1CCO[C@@H](CNC(=O)c2nnn(C)n2)C1 ZINC001035474716 656768856 /nfs/dbraw/zinc/76/88/56/656768856.db2.gz JNOUUKVRXWUBSL-UWVGGRQHSA-N 1 2 298.347 -1.324 20 0 CAADLO CO[C@@H](C)C[N@H+]1CCO[C@@H](CNC(=O)c2nnn(C)n2)C1 ZINC001035474716 656768863 /nfs/dbraw/zinc/76/88/63/656768863.db2.gz JNOUUKVRXWUBSL-UWVGGRQHSA-N 1 2 298.347 -1.324 20 0 CAADLO C[C@@H](O)C[N@@H+]1CCO[C@@H](CNC(=O)c2nnn(C)n2)C1 ZINC001035475565 656768961 /nfs/dbraw/zinc/76/89/61/656768961.db2.gz QQFVMNKMPPNYFP-BDAKNGLRSA-N 1 2 284.320 -1.979 20 0 CAADLO C[C@@H](O)C[N@H+]1CCO[C@@H](CNC(=O)c2nnn(C)n2)C1 ZINC001035475565 656768966 /nfs/dbraw/zinc/76/89/66/656768966.db2.gz QQFVMNKMPPNYFP-BDAKNGLRSA-N 1 2 284.320 -1.979 20 0 CAADLO CN1C[C@@H](C(=O)NC[C@H]2C[N@H+](CCO)CCO2)NC1=O ZINC001035465766 656769723 /nfs/dbraw/zinc/76/97/23/656769723.db2.gz BDJJRLGHGQEGSJ-UWVGGRQHSA-N 1 2 286.332 -2.181 20 0 CAADLO CN1C[C@@H](C(=O)NC[C@H]2C[N@@H+](CCO)CCO2)NC1=O ZINC001035465766 656769728 /nfs/dbraw/zinc/76/97/28/656769728.db2.gz BDJJRLGHGQEGSJ-UWVGGRQHSA-N 1 2 286.332 -2.181 20 0 CAADLO COc1nn(C)cc1C(=O)NC[C@H]1C[N@H+](CCO)CCO1 ZINC001035466549 656769867 /nfs/dbraw/zinc/76/98/67/656769867.db2.gz NECQCKRLRHUHTI-JTQLQIEISA-N 1 2 298.343 -1.148 20 0 CAADLO COc1nn(C)cc1C(=O)NC[C@H]1C[N@@H+](CCO)CCO1 ZINC001035466549 656769874 /nfs/dbraw/zinc/76/98/74/656769874.db2.gz NECQCKRLRHUHTI-JTQLQIEISA-N 1 2 298.343 -1.148 20 0 CAADLO CN1C[C@H](C(=O)NC[C@@H]2C[N@H+](CCO)CCO2)NC1=O ZINC001035465764 656770133 /nfs/dbraw/zinc/77/01/33/656770133.db2.gz BDJJRLGHGQEGSJ-NXEZZACHSA-N 1 2 286.332 -2.181 20 0 CAADLO CN1C[C@H](C(=O)NC[C@@H]2C[N@@H+](CCO)CCO2)NC1=O ZINC001035465764 656770140 /nfs/dbraw/zinc/77/01/40/656770140.db2.gz BDJJRLGHGQEGSJ-NXEZZACHSA-N 1 2 286.332 -2.181 20 0 CAADLO COc1nn(C)cc1C(=O)NC[C@@H]1C[N@H+](CCO)CCO1 ZINC001035466551 656770223 /nfs/dbraw/zinc/77/02/23/656770223.db2.gz NECQCKRLRHUHTI-SNVBAGLBSA-N 1 2 298.343 -1.148 20 0 CAADLO COc1nn(C)cc1C(=O)NC[C@@H]1C[N@@H+](CCO)CCO1 ZINC001035466551 656770232 /nfs/dbraw/zinc/77/02/32/656770232.db2.gz NECQCKRLRHUHTI-SNVBAGLBSA-N 1 2 298.343 -1.148 20 0 CAADLO CN1C[C@H](C(=O)NC[C@H]2C[N@H+](CCO)CCO2)NC1=O ZINC001035465767 656770536 /nfs/dbraw/zinc/77/05/36/656770536.db2.gz BDJJRLGHGQEGSJ-VHSXEESVSA-N 1 2 286.332 -2.181 20 0 CAADLO CN1C[C@H](C(=O)NC[C@H]2C[N@@H+](CCO)CCO2)NC1=O ZINC001035465767 656770545 /nfs/dbraw/zinc/77/05/45/656770545.db2.gz BDJJRLGHGQEGSJ-VHSXEESVSA-N 1 2 286.332 -2.181 20 0 CAADLO O=C(NC[C@H]1C[N@H+](CCO)CCO1)[C@H]1CNC(=O)N1 ZINC001035501587 656771091 /nfs/dbraw/zinc/77/10/91/656771091.db2.gz LJWHWPRJASHBJR-DTWKUNHWSA-N 1 2 272.305 -2.523 20 0 CAADLO O=C(NC[C@H]1C[N@@H+](CCO)CCO1)[C@H]1CNC(=O)N1 ZINC001035501587 656771097 /nfs/dbraw/zinc/77/10/97/656771097.db2.gz LJWHWPRJASHBJR-DTWKUNHWSA-N 1 2 272.305 -2.523 20 0 CAADLO NC(=O)c1coc(C(=O)NC[C@H]2C[N@H+](CCO)CCO2)c1 ZINC001035506769 656771229 /nfs/dbraw/zinc/77/12/29/656771229.db2.gz WNMJCDSNWFGHNT-JTQLQIEISA-N 1 2 297.311 -1.199 20 0 CAADLO NC(=O)c1coc(C(=O)NC[C@H]2C[N@@H+](CCO)CCO2)c1 ZINC001035506769 656771232 /nfs/dbraw/zinc/77/12/32/656771232.db2.gz WNMJCDSNWFGHNT-JTQLQIEISA-N 1 2 297.311 -1.199 20 0 CAADLO O=C(NC[C@@H]1C[N@H+](CCO)CCO1)[C@@H]1CNC(=O)N1 ZINC001035501584 656771420 /nfs/dbraw/zinc/77/14/20/656771420.db2.gz LJWHWPRJASHBJR-BDAKNGLRSA-N 1 2 272.305 -2.523 20 0 CAADLO O=C(NC[C@@H]1C[N@@H+](CCO)CCO1)[C@@H]1CNC(=O)N1 ZINC001035501584 656771427 /nfs/dbraw/zinc/77/14/27/656771427.db2.gz LJWHWPRJASHBJR-BDAKNGLRSA-N 1 2 272.305 -2.523 20 0 CAADLO NC(=O)c1ccc(C(=O)NC[C@@H]2C[N@H+](CCO)CCO2)[nH]1 ZINC001035509900 656771551 /nfs/dbraw/zinc/77/15/51/656771551.db2.gz HTODYFOVDLBRCZ-SECBINFHSA-N 1 2 296.327 -1.464 20 0 CAADLO NC(=O)c1ccc(C(=O)NC[C@@H]2C[N@@H+](CCO)CCO2)[nH]1 ZINC001035509900 656771558 /nfs/dbraw/zinc/77/15/58/656771558.db2.gz HTODYFOVDLBRCZ-SECBINFHSA-N 1 2 296.327 -1.464 20 0 CAADLO O=C(NC[C@H]1C[N@H+](CCO)CCO1)[C@@H]1CNC(=O)N1 ZINC001035501589 656771823 /nfs/dbraw/zinc/77/18/23/656771823.db2.gz LJWHWPRJASHBJR-IUCAKERBSA-N 1 2 272.305 -2.523 20 0 CAADLO O=C(NC[C@H]1C[N@@H+](CCO)CCO1)[C@@H]1CNC(=O)N1 ZINC001035501589 656771828 /nfs/dbraw/zinc/77/18/28/656771828.db2.gz LJWHWPRJASHBJR-IUCAKERBSA-N 1 2 272.305 -2.523 20 0 CAADLO COCC[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001035507042 656771979 /nfs/dbraw/zinc/77/19/79/656771979.db2.gz AMVNIDHOQZTQOV-AXFHLTTASA-N 1 2 285.344 -1.429 20 0 CAADLO COCC[N@H+]1CCO[C@@H](CNC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001035507042 656771982 /nfs/dbraw/zinc/77/19/82/656771982.db2.gz AMVNIDHOQZTQOV-AXFHLTTASA-N 1 2 285.344 -1.429 20 0 CAADLO O=C(NC[C@H]1C[N@H+](CCO)CCO1)[C@H]1CCCCC(=O)N1 ZINC001035511255 656772008 /nfs/dbraw/zinc/77/20/08/656772008.db2.gz JWQLSTNZAZYZPX-NWDGAFQWSA-N 1 2 299.371 -1.146 20 0 CAADLO O=C(NC[C@H]1C[N@@H+](CCO)CCO1)[C@H]1CCCCC(=O)N1 ZINC001035511255 656772010 /nfs/dbraw/zinc/77/20/10/656772010.db2.gz JWQLSTNZAZYZPX-NWDGAFQWSA-N 1 2 299.371 -1.146 20 0 CAADLO O=C(NC[C@H]1C[N@H+](CCO)CCO1)c1n[nH]cc1F ZINC001035505026 656772073 /nfs/dbraw/zinc/77/20/73/656772073.db2.gz YIZFTGAGDVJYJV-QMMMGPOBSA-N 1 2 272.280 -1.028 20 0 CAADLO O=C(NC[C@H]1C[N@@H+](CCO)CCO1)c1n[nH]cc1F ZINC001035505026 656772075 /nfs/dbraw/zinc/77/20/75/656772075.db2.gz YIZFTGAGDVJYJV-QMMMGPOBSA-N 1 2 272.280 -1.028 20 0 CAADLO NC(=O)[C@@H]1C[C@@H]1C(=O)NC[C@H]1C[N@H+](CCO)CCO1 ZINC001035510284 656772084 /nfs/dbraw/zinc/77/20/84/656772084.db2.gz KWIOAJKQJAOVCJ-AEJSXWLSSA-N 1 2 271.317 -2.083 20 0 CAADLO NC(=O)[C@@H]1C[C@@H]1C(=O)NC[C@H]1C[N@@H+](CCO)CCO1 ZINC001035510284 656772087 /nfs/dbraw/zinc/77/20/87/656772087.db2.gz KWIOAJKQJAOVCJ-AEJSXWLSSA-N 1 2 271.317 -2.083 20 0 CAADLO COCC[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001035500283 656772214 /nfs/dbraw/zinc/77/22/14/656772214.db2.gz GDWWYNYKGCEVDY-VHSXEESVSA-N 1 2 286.332 -1.869 20 0 CAADLO COCC[N@H+]1CCO[C@@H](CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001035500283 656772218 /nfs/dbraw/zinc/77/22/18/656772218.db2.gz GDWWYNYKGCEVDY-VHSXEESVSA-N 1 2 286.332 -1.869 20 0 CAADLO COCC[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001035500284 656772441 /nfs/dbraw/zinc/77/24/41/656772441.db2.gz GDWWYNYKGCEVDY-ZJUUUORDSA-N 1 2 286.332 -1.869 20 0 CAADLO COCC[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001035500284 656772446 /nfs/dbraw/zinc/77/24/46/656772446.db2.gz GDWWYNYKGCEVDY-ZJUUUORDSA-N 1 2 286.332 -1.869 20 0 CAADLO Cn1ncc(C(=O)NC[C@H]2C[N@H+](CCO)CCO2)n1 ZINC001035542383 656772975 /nfs/dbraw/zinc/77/29/75/656772975.db2.gz PCZKWYOUNXWYHG-VIFPVBQESA-N 1 2 269.305 -1.762 20 0 CAADLO Cn1ncc(C(=O)NC[C@H]2C[N@@H+](CCO)CCO2)n1 ZINC001035542383 656772978 /nfs/dbraw/zinc/77/29/78/656772978.db2.gz PCZKWYOUNXWYHG-VIFPVBQESA-N 1 2 269.305 -1.762 20 0 CAADLO Cn1c(=O)cccc1C(=O)NC[C@@H]1C[N@H+](CCO)CCO1 ZINC001035497539 656773701 /nfs/dbraw/zinc/77/37/01/656773701.db2.gz BGOKSBVVKGXWHU-LLVKDONJSA-N 1 2 295.339 -1.192 20 0 CAADLO Cn1c(=O)cccc1C(=O)NC[C@@H]1C[N@@H+](CCO)CCO1 ZINC001035497539 656773711 /nfs/dbraw/zinc/77/37/11/656773711.db2.gz BGOKSBVVKGXWHU-LLVKDONJSA-N 1 2 295.339 -1.192 20 0 CAADLO COCC[N@@H+]1CCO[C@@H](CNC(=O)c2cnn(C)n2)C1 ZINC001035547530 656774793 /nfs/dbraw/zinc/77/47/93/656774793.db2.gz RBMPEMORMMSFNQ-JTQLQIEISA-N 1 2 283.332 -1.108 20 0 CAADLO COCC[N@H+]1CCO[C@@H](CNC(=O)c2cnn(C)n2)C1 ZINC001035547530 656774801 /nfs/dbraw/zinc/77/48/01/656774801.db2.gz RBMPEMORMMSFNQ-JTQLQIEISA-N 1 2 283.332 -1.108 20 0 CAADLO O=C(NC[C@H]1C[N@H+](CCCO)CCO1)c1cnon1 ZINC001035551798 656775030 /nfs/dbraw/zinc/77/50/30/656775030.db2.gz KDZMSYUNXNACLR-VIFPVBQESA-N 1 2 270.289 -1.117 20 0 CAADLO O=C(NC[C@H]1C[N@@H+](CCCO)CCO1)c1cnon1 ZINC001035551798 656775035 /nfs/dbraw/zinc/77/50/35/656775035.db2.gz KDZMSYUNXNACLR-VIFPVBQESA-N 1 2 270.289 -1.117 20 0 CAADLO C[C@H](O)C[N@@H+]1CCO[C@H](CNC(=O)c2cnn(C)n2)C1 ZINC001035548609 656775174 /nfs/dbraw/zinc/77/51/74/656775174.db2.gz DYTWYXPTVCBOJV-VHSXEESVSA-N 1 2 283.332 -1.374 20 0 CAADLO C[C@H](O)C[N@H+]1CCO[C@H](CNC(=O)c2cnn(C)n2)C1 ZINC001035548609 656775179 /nfs/dbraw/zinc/77/51/79/656775179.db2.gz DYTWYXPTVCBOJV-VHSXEESVSA-N 1 2 283.332 -1.374 20 0 CAADLO C[C@@H](O)C[N@@H+]1CCO[C@@H](CNC(=O)c2cnn(C)n2)C1 ZINC001035548610 656775275 /nfs/dbraw/zinc/77/52/75/656775275.db2.gz DYTWYXPTVCBOJV-ZJUUUORDSA-N 1 2 283.332 -1.374 20 0 CAADLO C[C@@H](O)C[N@H+]1CCO[C@@H](CNC(=O)c2cnn(C)n2)C1 ZINC001035548610 656775289 /nfs/dbraw/zinc/77/52/89/656775289.db2.gz DYTWYXPTVCBOJV-ZJUUUORDSA-N 1 2 283.332 -1.374 20 0 CAADLO COC(=O)N(C)CCNC(=O)[C@@H](C)N1CC[NH2+]CC1=O ZINC000705742599 656775308 /nfs/dbraw/zinc/77/53/08/656775308.db2.gz QQIYRSNBXBUYRY-SECBINFHSA-N 1 2 286.332 -1.379 20 0 CAADLO C[C@@H](C(=O)NCCS(C)(=O)=O)N1CC[NH2+]CC1=O ZINC000705776724 656775406 /nfs/dbraw/zinc/77/54/06/656775406.db2.gz ANASVNJRVOFXJX-QMMMGPOBSA-N 1 2 277.346 -2.033 20 0 CAADLO C[C@@H](C(=O)N1CCCNC(=O)C1)N1CC[NH2+]CC1=O ZINC000705776796 656775638 /nfs/dbraw/zinc/77/56/38/656775638.db2.gz ZOAGRHFONHJTHO-VIFPVBQESA-N 1 2 268.317 -1.845 20 0 CAADLO O=C(NC[C@@H]1C[N@H+](CCO)CCO1)C1CC(=O)NC(=O)C1 ZINC001035547648 656775709 /nfs/dbraw/zinc/77/57/09/656775709.db2.gz SOUQYXSVYQWPKA-SNVBAGLBSA-N 1 2 299.327 -2.152 20 0 CAADLO O=C(NC[C@@H]1C[N@@H+](CCO)CCO1)C1CC(=O)NC(=O)C1 ZINC001035547648 656775716 /nfs/dbraw/zinc/77/57/16/656775716.db2.gz SOUQYXSVYQWPKA-SNVBAGLBSA-N 1 2 299.327 -2.152 20 0 CAADLO O=C(NC[C@H]1C[N@@H+](CCO)CCO1)c1ccnnc1 ZINC001035533381 656775816 /nfs/dbraw/zinc/77/58/16/656775816.db2.gz OELTVBYSOWKMGO-NSHDSACASA-N 1 2 266.301 -1.101 20 0 CAADLO O=C(NC[C@H]1C[N@H+](CCO)CCO1)c1ccnnc1 ZINC001035533381 656775812 /nfs/dbraw/zinc/77/58/12/656775812.db2.gz OELTVBYSOWKMGO-NSHDSACASA-N 1 2 266.301 -1.101 20 0 CAADLO O=C(NC[C@H]1C[N@H+](CCO)CCO1)c1cnon1 ZINC001035550664 656775845 /nfs/dbraw/zinc/77/58/45/656775845.db2.gz BEVBVFDCLGHFMN-QMMMGPOBSA-N 1 2 256.262 -1.508 20 0 CAADLO O=C(NC[C@H]1C[N@@H+](CCO)CCO1)c1cnon1 ZINC001035550664 656775849 /nfs/dbraw/zinc/77/58/49/656775849.db2.gz BEVBVFDCLGHFMN-QMMMGPOBSA-N 1 2 256.262 -1.508 20 0 CAADLO C[C@@H](C(=O)NCCOC(=O)N(C)C)N1CC[NH2+]CC1=O ZINC000705753666 656775890 /nfs/dbraw/zinc/77/58/90/656775890.db2.gz QYJKJNHHJWVROO-VIFPVBQESA-N 1 2 286.332 -1.379 20 0 CAADLO CCS(=O)(=O)CCNC(=O)[C@@H](C)N1CC[NH2+]CC1=O ZINC000705766590 656776005 /nfs/dbraw/zinc/77/60/05/656776005.db2.gz IHGPKULYJNSORW-SECBINFHSA-N 1 2 291.373 -1.642 20 0 CAADLO COC(=O)N(C)CCNC(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000705742602 656776142 /nfs/dbraw/zinc/77/61/42/656776142.db2.gz QQIYRSNBXBUYRY-VIFPVBQESA-N 1 2 286.332 -1.379 20 0 CAADLO COc1ccc(C(=O)NC[C@@H]2C[N@H+](CCO)CCO2)nn1 ZINC001035570778 656776169 /nfs/dbraw/zinc/77/61/69/656776169.db2.gz RSGIBJWEALWVRR-SNVBAGLBSA-N 1 2 296.327 -1.092 20 0 CAADLO COc1ccc(C(=O)NC[C@@H]2C[N@@H+](CCO)CCO2)nn1 ZINC001035570778 656776176 /nfs/dbraw/zinc/77/61/76/656776176.db2.gz RSGIBJWEALWVRR-SNVBAGLBSA-N 1 2 296.327 -1.092 20 0 CAADLO COCC[N@@H+]1CCO[C@H](CNC(=O)c2cnn(C)n2)C1 ZINC001035547532 656776192 /nfs/dbraw/zinc/77/61/92/656776192.db2.gz RBMPEMORMMSFNQ-SNVBAGLBSA-N 1 2 283.332 -1.108 20 0 CAADLO COCC[N@H+]1CCO[C@H](CNC(=O)c2cnn(C)n2)C1 ZINC001035547532 656776195 /nfs/dbraw/zinc/77/61/95/656776195.db2.gz RBMPEMORMMSFNQ-SNVBAGLBSA-N 1 2 283.332 -1.108 20 0 CAADLO C[C@H](O)C[N@@H+]1CCO[C@@H](CNC(=O)c2cnn(C)n2)C1 ZINC001035548608 656776208 /nfs/dbraw/zinc/77/62/08/656776208.db2.gz DYTWYXPTVCBOJV-UWVGGRQHSA-N 1 2 283.332 -1.374 20 0 CAADLO C[C@H](O)C[N@H+]1CCO[C@@H](CNC(=O)c2cnn(C)n2)C1 ZINC001035548608 656776211 /nfs/dbraw/zinc/77/62/11/656776211.db2.gz DYTWYXPTVCBOJV-UWVGGRQHSA-N 1 2 283.332 -1.374 20 0 CAADLO C[C@H](C(=O)NCCOC(=O)N(C)C)N1CC[NH2+]CC1=O ZINC000705753665 656776227 /nfs/dbraw/zinc/77/62/27/656776227.db2.gz QYJKJNHHJWVROO-SECBINFHSA-N 1 2 286.332 -1.379 20 0 CAADLO COc1c(C(=O)NC[C@H]2C[N@H+](CCO)CCO2)cnn1C ZINC001035593634 656776581 /nfs/dbraw/zinc/77/65/81/656776581.db2.gz PEUPSBYPRYISIM-JTQLQIEISA-N 1 2 298.343 -1.148 20 0 CAADLO COc1c(C(=O)NC[C@H]2C[N@@H+](CCO)CCO2)cnn1C ZINC001035593634 656776591 /nfs/dbraw/zinc/77/65/91/656776591.db2.gz PEUPSBYPRYISIM-JTQLQIEISA-N 1 2 298.343 -1.148 20 0 CAADLO CCn1cc(C(=O)NC[C@H]2C[N@H+](CCO)CCO2)nn1 ZINC001035562527 656776616 /nfs/dbraw/zinc/77/66/16/656776616.db2.gz XNTBTRXJNUHEDO-JTQLQIEISA-N 1 2 283.332 -1.279 20 0 CAADLO CCn1cc(C(=O)NC[C@H]2C[N@@H+](CCO)CCO2)nn1 ZINC001035562527 656776624 /nfs/dbraw/zinc/77/66/24/656776624.db2.gz XNTBTRXJNUHEDO-JTQLQIEISA-N 1 2 283.332 -1.279 20 0 CAADLO O=C(NC[C@@H]1C[N@H+](CCO)CCO1)c1cccnn1 ZINC001035558895 656777853 /nfs/dbraw/zinc/77/78/53/656777853.db2.gz FREDQZPHVYNILT-SNVBAGLBSA-N 1 2 266.301 -1.101 20 0 CAADLO O=C(NC[C@@H]1C[N@@H+](CCO)CCO1)c1cccnn1 ZINC001035558895 656777866 /nfs/dbraw/zinc/77/78/66/656777866.db2.gz FREDQZPHVYNILT-SNVBAGLBSA-N 1 2 266.301 -1.101 20 0 CAADLO CCn1cc(C(=O)NC[C@@H]2C[N@H+](CCO)CCO2)nn1 ZINC001035562528 656778629 /nfs/dbraw/zinc/77/86/29/656778629.db2.gz XNTBTRXJNUHEDO-SNVBAGLBSA-N 1 2 283.332 -1.279 20 0 CAADLO CCn1cc(C(=O)NC[C@@H]2C[N@@H+](CCO)CCO2)nn1 ZINC001035562528 656778643 /nfs/dbraw/zinc/77/86/43/656778643.db2.gz XNTBTRXJNUHEDO-SNVBAGLBSA-N 1 2 283.332 -1.279 20 0 CAADLO C[C@@H](O)C[N@@H+]1CCO[C@@H](CNC(=O)c2nnc[nH]2)C1 ZINC001035554718 656778922 /nfs/dbraw/zinc/77/89/22/656778922.db2.gz HCLIVYFTTPYZDD-BDAKNGLRSA-N 1 2 269.305 -1.384 20 0 CAADLO C[C@@H](O)C[N@H+]1CCO[C@@H](CNC(=O)c2nnc[nH]2)C1 ZINC001035554718 656778936 /nfs/dbraw/zinc/77/89/36/656778936.db2.gz HCLIVYFTTPYZDD-BDAKNGLRSA-N 1 2 269.305 -1.384 20 0 CAADLO CN(CCS(C)(=O)=O)C(=O)CN1CC[NH2+]CC1=O ZINC000705924418 656780015 /nfs/dbraw/zinc/78/00/15/656780015.db2.gz VPCHPDAPPUGSKC-UHFFFAOYSA-N 1 2 277.346 -2.079 20 0 CAADLO NC(=O)C[NH+]1CC2(C1)CCN(C(=O)Cn1cnnn1)CC2 ZINC001035646018 656780059 /nfs/dbraw/zinc/78/00/59/656780059.db2.gz RTEHBLZWRMLKLC-UHFFFAOYSA-N 1 2 293.331 -1.917 20 0 CAADLO O=C(NC[C@H]1C[N@H+](CCO)CCO1)[C@@H]1CCC(=O)N1 ZINC001035588151 656780218 /nfs/dbraw/zinc/78/02/18/656780218.db2.gz GCCIPGSRDAQYCD-UWVGGRQHSA-N 1 2 271.317 -1.926 20 0 CAADLO O=C(NC[C@H]1C[N@@H+](CCO)CCO1)[C@@H]1CCC(=O)N1 ZINC001035588151 656780228 /nfs/dbraw/zinc/78/02/28/656780228.db2.gz GCCIPGSRDAQYCD-UWVGGRQHSA-N 1 2 271.317 -1.926 20 0 CAADLO CC(=O)N1CCC[C@@H]1C(=O)NC[C@@H]1C[N@H+](CCO)CCO1 ZINC001035618392 656780884 /nfs/dbraw/zinc/78/08/84/656780884.db2.gz CBAJEWTZYKIKKW-CHWSQXEVSA-N 1 2 299.371 -1.193 20 0 CAADLO CC(=O)N1CCC[C@@H]1C(=O)NC[C@@H]1C[N@@H+](CCO)CCO1 ZINC001035618392 656780897 /nfs/dbraw/zinc/78/08/97/656780897.db2.gz CBAJEWTZYKIKKW-CHWSQXEVSA-N 1 2 299.371 -1.193 20 0 CAADLO CN1C[C@@H](C(=O)NC[C@@H]2C[N@H+](CCO)CCO2)CCC1=O ZINC001035616340 656781627 /nfs/dbraw/zinc/78/16/27/656781627.db2.gz HECFVVSOGRQSPC-NWDGAFQWSA-N 1 2 299.371 -1.336 20 0 CAADLO CN1C[C@@H](C(=O)NC[C@@H]2C[N@@H+](CCO)CCO2)CCC1=O ZINC001035616340 656781639 /nfs/dbraw/zinc/78/16/39/656781639.db2.gz HECFVVSOGRQSPC-NWDGAFQWSA-N 1 2 299.371 -1.336 20 0 CAADLO NC(=O)C[NH+]1CC2(C1)CCN(C(=O)[C@H]1COCCO1)CC2 ZINC001035656941 656781934 /nfs/dbraw/zinc/78/19/34/656781934.db2.gz YJDIEGJYJZOHEV-LLVKDONJSA-N 1 2 297.355 -1.189 20 0 CAADLO NC(=O)C[NH+]1CC2(C1)CCN(C(=O)C(N)=O)CC2 ZINC001035781327 656782724 /nfs/dbraw/zinc/78/27/24/656782724.db2.gz UXFWBPNIZDUBPK-UHFFFAOYSA-N 1 2 254.290 -2.119 20 0 CAADLO CC(C)(C(N)=O)C(=O)N1CCC2(C[NH+](CC(N)=O)C2)CC1 ZINC001035726657 656783346 /nfs/dbraw/zinc/78/33/46/656783346.db2.gz WLLZAHPUTCVJBO-UHFFFAOYSA-N 1 2 296.371 -1.092 20 0 CAADLO NC(=O)C[NH+]1CC2(C1)CCN(C(=O)[C@H]1C[C@H]1C(N)=O)CC2 ZINC001035798639 656783392 /nfs/dbraw/zinc/78/33/92/656783392.db2.gz QMEXQNONSHHABG-ZJUUUORDSA-N 1 2 294.355 -1.483 20 0 CAADLO NC(=O)C[NH+]1CC2(C1)CCN(C(=O)C1(C(N)=O)CC1)CC2 ZINC001035783415 656783964 /nfs/dbraw/zinc/78/39/64/656783964.db2.gz LJFCMEJTDZFUCO-UHFFFAOYSA-N 1 2 294.355 -1.338 20 0 CAADLO NC(=O)C[NH+]1CC2(C1)CCN(C(=O)Cn1ncnn1)CC2 ZINC001035705979 656784533 /nfs/dbraw/zinc/78/45/33/656784533.db2.gz KKCVQQCPSAEDDN-UHFFFAOYSA-N 1 2 293.331 -1.917 20 0 CAADLO Cn1nnc(C(=O)N2CCC3(C[NH+](CC(N)=O)C3)CC2)n1 ZINC001035769386 656784897 /nfs/dbraw/zinc/78/48/97/656784897.db2.gz GDMSSDPNNMYRIF-UHFFFAOYSA-N 1 2 293.331 -1.767 20 0 CAADLO CN(C)C(=O)OCCNC(=O)CN1CC[NH2+]CC1=O ZINC000706673276 656786333 /nfs/dbraw/zinc/78/63/33/656786333.db2.gz JANBHUTTZVZACG-UHFFFAOYSA-N 1 2 272.305 -1.767 20 0 CAADLO CCOC(=O)[C@H](C)NC(=O)[C@@H](C)N1CC[NH2+]CC1=O ZINC000706661535 656786904 /nfs/dbraw/zinc/78/69/04/656786904.db2.gz KBUNUTUHBWQZSK-DTWKUNHWSA-N 1 2 271.317 -1.126 20 0 CAADLO C[C@@H]1CN(C(=O)C[N@H+](C)[C@@H]2COC[C@H]2O)CCO1 ZINC000708734682 656792131 /nfs/dbraw/zinc/79/21/31/656792131.db2.gz MWGOLLHMWOWSOW-GMTAPVOTSA-N 1 2 258.318 -1.075 20 0 CAADLO C[C@@H]1CN(C(=O)C[N@@H+](C)[C@@H]2COC[C@H]2O)CCO1 ZINC000708734682 656792135 /nfs/dbraw/zinc/79/21/35/656792135.db2.gz MWGOLLHMWOWSOW-GMTAPVOTSA-N 1 2 258.318 -1.075 20 0 CAADLO CCN(CC(=O)OC)C(=O)[C@@H](C)N1CC[NH2+]CC1=O ZINC000707343517 656792626 /nfs/dbraw/zinc/79/26/26/656792626.db2.gz GCBMPOYCYGTHBX-SECBINFHSA-N 1 2 271.317 -1.172 20 0 CAADLO Cc1[nH]c(=O)[nH]c1C(=O)N[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001014839393 656800716 /nfs/dbraw/zinc/80/07/16/656800716.db2.gz OZFUADCKVFFYTP-SSDOTTSWSA-N 1 2 267.289 -1.287 20 0 CAADLO Cc1[nH]c(=O)[nH]c1C(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001014839393 656800718 /nfs/dbraw/zinc/80/07/18/656800718.db2.gz OZFUADCKVFFYTP-SSDOTTSWSA-N 1 2 267.289 -1.287 20 0 CAADLO CN(C(=O)C(N)=O)C1CC[NH+](Cc2cn(C)nn2)CC1 ZINC001005913525 656800797 /nfs/dbraw/zinc/80/07/97/656800797.db2.gz HIQOCUARTKTJCX-UHFFFAOYSA-N 1 2 280.332 -1.277 20 0 CAADLO CN(C(=O)C(N)=O)C1CC[NH+](Cc2nc(=O)n(C)[nH]2)CC1 ZINC001005912994 656800981 /nfs/dbraw/zinc/80/09/81/656800981.db2.gz DGJBWLUTLNSZOD-UHFFFAOYSA-N 1 2 296.331 -1.984 20 0 CAADLO COC(=O)[C@@H](NC(=O)/C=C/C[NH+]1CCOCC1)[C@@H](C)O ZINC000923538289 656806186 /nfs/dbraw/zinc/80/61/86/656806186.db2.gz HTFHIOYMJAQGRQ-YGEYTSGZSA-N 1 2 286.328 -1.087 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H](C)N2CCOCC2)C1 ZINC001016434506 656808634 /nfs/dbraw/zinc/80/86/34/656808634.db2.gz XUKQGJWZSJZTBC-RYUDHWBXSA-N 1 2 298.387 -1.356 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@H](C)N2CCOCC2)C1 ZINC001016434506 656808637 /nfs/dbraw/zinc/80/86/37/656808637.db2.gz XUKQGJWZSJZTBC-RYUDHWBXSA-N 1 2 298.387 -1.356 20 0 CAADLO O=S(=O)(CCC[NH+]1CCOCC1)N[C@@H]1CNOC1 ZINC000923720536 656816035 /nfs/dbraw/zinc/81/60/35/656816035.db2.gz DTXDFQBZHPAZNW-SNVBAGLBSA-N 1 2 279.362 -1.469 20 0 CAADLO O=S(=O)(CCC[NH+]1CCOCC1)N[C@H]1CNOC1 ZINC000923730178 656816955 /nfs/dbraw/zinc/81/69/55/656816955.db2.gz DTXDFQBZHPAZNW-JTQLQIEISA-N 1 2 279.362 -1.469 20 0 CAADLO C[C@H]([NH2+]C1CN(S(=O)(=O)N(C)C)C1)c1cnnn1C ZINC000926775086 656823810 /nfs/dbraw/zinc/82/38/10/656823810.db2.gz WFOSPLAMQGMHAY-QMMMGPOBSA-N 1 2 288.377 -1.044 20 0 CAADLO CC[C@H](C[NH+]1CCOCC1)NC(=O)CCNC(=O)CO ZINC000928634677 656826172 /nfs/dbraw/zinc/82/61/72/656826172.db2.gz LNNJMNPFCFIUCH-LLVKDONJSA-N 1 2 287.360 -1.288 20 0 CAADLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)CNC(N)=O ZINC000928637423 656826810 /nfs/dbraw/zinc/82/68/10/656826810.db2.gz ZCVIBBWNJLREGZ-VIFPVBQESA-N 1 2 258.322 -1.118 20 0 CAADLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)C[C@@H]1NC(=O)NC1=O ZINC000928638059 656826907 /nfs/dbraw/zinc/82/69/07/656826907.db2.gz ANZFEKZIHOHFMQ-UWVGGRQHSA-N 1 2 298.343 -1.189 20 0 CAADLO CC[C@H](C[NH+]1CCOCC1)NC(=O)Cn1ncn(C)c1=O ZINC000928644349 656827446 /nfs/dbraw/zinc/82/74/46/656827446.db2.gz QKNGJUPMHMYHTQ-LLVKDONJSA-N 1 2 297.359 -1.191 20 0 CAADLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)Cn1ncn(C)c1=O ZINC000928644351 656827851 /nfs/dbraw/zinc/82/78/51/656827851.db2.gz QKNGJUPMHMYHTQ-NSHDSACASA-N 1 2 297.359 -1.191 20 0 CAADLO COC1(C(=O)N2CCC[N@H+](C)CC2)CS(=O)(=O)C1 ZINC000929226102 656828625 /nfs/dbraw/zinc/82/86/25/656828625.db2.gz WSEFEUOGCWQJAN-UHFFFAOYSA-N 1 2 276.358 -1.036 20 0 CAADLO COC1(C(=O)N2CCC[N@@H+](C)CC2)CS(=O)(=O)C1 ZINC000929226102 656828630 /nfs/dbraw/zinc/82/86/30/656828630.db2.gz WSEFEUOGCWQJAN-UHFFFAOYSA-N 1 2 276.358 -1.036 20 0 CAADLO CS(=O)(=O)N1CC[NH+](C[C@@H](O)C2(O)CCC2)CC1 ZINC000929099183 656828925 /nfs/dbraw/zinc/82/89/25/656828925.db2.gz AWZCYCLGZHZNBE-SNVBAGLBSA-N 1 2 278.374 -1.161 20 0 CAADLO C[C@@H]1C(=O)NCC[N@H+]1C[C@H](O)C1(O)CCOCC1 ZINC000929486468 656829826 /nfs/dbraw/zinc/82/98/26/656829826.db2.gz FLDNAMMMIPNEIM-ZJUUUORDSA-N 1 2 258.318 -1.291 20 0 CAADLO C[C@@H]1C(=O)NCC[N@@H+]1C[C@H](O)C1(O)CCOCC1 ZINC000929486468 656829832 /nfs/dbraw/zinc/82/98/32/656829832.db2.gz FLDNAMMMIPNEIM-ZJUUUORDSA-N 1 2 258.318 -1.291 20 0 CAADLO C[C@@H](O)[C@@H](O)C[NH+]1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC000929282568 656830221 /nfs/dbraw/zinc/83/02/21/656830221.db2.gz LEZVNZPMAMSSBJ-NEPJUHHUSA-N 1 2 299.371 -1.505 20 0 CAADLO CNC(=O)CNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000929384341 656830375 /nfs/dbraw/zinc/83/03/75/656830375.db2.gz XVRRDPVVDYCEDF-MNOVXSKESA-N 1 2 285.344 -1.272 20 0 CAADLO C[C@@H](O)[C@H](O)C[NH+]1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC000929280007 656830434 /nfs/dbraw/zinc/83/04/34/656830434.db2.gz YHWOLTHZBCYODM-MWLCHTKSSA-N 1 2 285.344 -1.849 20 0 CAADLO C[C@@H]1C(=O)NCC[N@H+]1C[C@@H](O)C1(O)CCOCC1 ZINC000929486452 656830457 /nfs/dbraw/zinc/83/04/57/656830457.db2.gz FLDNAMMMIPNEIM-NXEZZACHSA-N 1 2 258.318 -1.291 20 0 CAADLO C[C@@H]1C(=O)NCC[N@@H+]1C[C@@H](O)C1(O)CCOCC1 ZINC000929486452 656830458 /nfs/dbraw/zinc/83/04/58/656830458.db2.gz FLDNAMMMIPNEIM-NXEZZACHSA-N 1 2 258.318 -1.291 20 0 CAADLO COCC[N@@H+](CC(=O)OC)CC1CN(S(C)(=O)=O)C1 ZINC000929637501 656831242 /nfs/dbraw/zinc/83/12/42/656831242.db2.gz JYSTZBMYKQBJMC-UHFFFAOYSA-N 1 2 294.373 -1.001 20 0 CAADLO COCC[N@H+](CC(=O)OC)CC1CN(S(C)(=O)=O)C1 ZINC000929637501 656831244 /nfs/dbraw/zinc/83/12/44/656831244.db2.gz JYSTZBMYKQBJMC-UHFFFAOYSA-N 1 2 294.373 -1.001 20 0 CAADLO CC1(C)CN(C(=O)C[N@H+]2C[C@@H](O)[C@@H](O)C2)CCO1 ZINC000929772900 656832340 /nfs/dbraw/zinc/83/23/40/656832340.db2.gz QDNSAOVNVMNPJP-AOOOYVTPSA-N 1 2 258.318 -1.339 20 0 CAADLO CC1(C)CN(C(=O)C[N@@H+]2C[C@@H](O)[C@@H](O)C2)CCO1 ZINC000929772900 656832342 /nfs/dbraw/zinc/83/23/42/656832342.db2.gz QDNSAOVNVMNPJP-AOOOYVTPSA-N 1 2 258.318 -1.339 20 0 CAADLO CN1CC[N@H+](C[C@@H](O)C2(O)CCOCC2)CC1=O ZINC000929694022 656832520 /nfs/dbraw/zinc/83/25/20/656832520.db2.gz GBQROKQUQLPPJY-SNVBAGLBSA-N 1 2 258.318 -1.337 20 0 CAADLO CN1CC[N@@H+](C[C@@H](O)C2(O)CCOCC2)CC1=O ZINC000929694022 656832522 /nfs/dbraw/zinc/83/25/22/656832522.db2.gz GBQROKQUQLPPJY-SNVBAGLBSA-N 1 2 258.318 -1.337 20 0 CAADLO O=C1NC[C@@H]2C[N@H+](C[C@H]3CCC4(COC4)O3)CCN2C1=O ZINC000929845662 656833506 /nfs/dbraw/zinc/83/35/06/656833506.db2.gz YDRXPRKIZIDDFD-GHMZBOCLSA-N 1 2 295.339 -1.423 20 0 CAADLO O=C1NC[C@@H]2C[N@@H+](C[C@H]3CCC4(COC4)O3)CCN2C1=O ZINC000929845662 656833507 /nfs/dbraw/zinc/83/35/07/656833507.db2.gz YDRXPRKIZIDDFD-GHMZBOCLSA-N 1 2 295.339 -1.423 20 0 CAADLO O=C1NC[C@@H]2C[N@H+](CCO[C@@H]3CCOC3)CCN2C1=O ZINC000929844747 656833767 /nfs/dbraw/zinc/83/37/67/656833767.db2.gz SZQVENBXGZKSLM-GHMZBOCLSA-N 1 2 283.328 -1.566 20 0 CAADLO O=C1NC[C@@H]2C[N@@H+](CCO[C@@H]3CCOC3)CCN2C1=O ZINC000929844747 656833772 /nfs/dbraw/zinc/83/37/72/656833772.db2.gz SZQVENBXGZKSLM-GHMZBOCLSA-N 1 2 283.328 -1.566 20 0 CAADLO C[C@@H]1OCCO[C@@H]1C(=O)N1CC[NH+](CCO)CC1 ZINC000930041355 656834718 /nfs/dbraw/zinc/83/47/18/656834718.db2.gz RVBJXMVSLQMSII-QWRGUYRKSA-N 1 2 258.318 -1.073 20 0 CAADLO CC[S@@](=O)CCNC(=O)C(=O)NC[C@@H]1CC[N@@H+]1C ZINC000930096661 656836209 /nfs/dbraw/zinc/83/62/09/656836209.db2.gz INXRNPBNGCHXCH-NIVTXAMTSA-N 1 2 275.374 -1.309 20 0 CAADLO CC[S@@](=O)CCNC(=O)C(=O)NC[C@@H]1CC[N@H+]1C ZINC000930096661 656836211 /nfs/dbraw/zinc/83/62/11/656836211.db2.gz INXRNPBNGCHXCH-NIVTXAMTSA-N 1 2 275.374 -1.309 20 0 CAADLO CON1CC[C@@H]([N@@H+]2CC[C@H](S(N)(=O)=O)C2)C1=O ZINC000930091882 656836636 /nfs/dbraw/zinc/83/66/36/656836636.db2.gz BSJVWMYASQOTCR-JGVFFNPUSA-N 1 2 263.319 -1.489 20 0 CAADLO CON1CC[C@@H]([N@H+]2CC[C@H](S(N)(=O)=O)C2)C1=O ZINC000930091882 656836640 /nfs/dbraw/zinc/83/66/40/656836640.db2.gz BSJVWMYASQOTCR-JGVFFNPUSA-N 1 2 263.319 -1.489 20 0 CAADLO COCC[N@H+](C[C@H](O)[C@H](C)O)[C@@H]1CCS(=O)(=O)C1 ZINC000930107881 656836772 /nfs/dbraw/zinc/83/67/72/656836772.db2.gz CPGFMXVOOOSJPE-AXFHLTTASA-N 1 2 281.374 -1.136 20 0 CAADLO COCC[N@@H+](C[C@H](O)[C@H](C)O)[C@@H]1CCS(=O)(=O)C1 ZINC000930107881 656836774 /nfs/dbraw/zinc/83/67/74/656836774.db2.gz CPGFMXVOOOSJPE-AXFHLTTASA-N 1 2 281.374 -1.136 20 0 CAADLO CON1CC[C@@H]([N@@H+]2CC[C@@H](S(N)(=O)=O)C2)C1=O ZINC000930091881 656836843 /nfs/dbraw/zinc/83/68/43/656836843.db2.gz BSJVWMYASQOTCR-HTQZYQBOSA-N 1 2 263.319 -1.489 20 0 CAADLO CON1CC[C@@H]([N@H+]2CC[C@@H](S(N)(=O)=O)C2)C1=O ZINC000930091881 656836845 /nfs/dbraw/zinc/83/68/45/656836845.db2.gz BSJVWMYASQOTCR-HTQZYQBOSA-N 1 2 263.319 -1.489 20 0 CAADLO CC(C)NS(=O)(=O)N1CC[NH+](C[C@@H](O)[C@@H](C)O)CC1 ZINC000930345166 656837388 /nfs/dbraw/zinc/83/73/88/656837388.db2.gz VZCMNLAPYWPWCI-GHMZBOCLSA-N 1 2 295.405 -1.412 20 0 CAADLO CON1CC[C@H]([N@@H+]2CC[C@@H]3OCC(=O)N[C@H]3C2)C1=O ZINC000930679923 656839433 /nfs/dbraw/zinc/83/94/33/656839433.db2.gz RIICRRYPKXTTTD-GUBZILKMSA-N 1 2 269.301 -1.262 20 0 CAADLO CON1CC[C@H]([N@H+]2CC[C@@H]3OCC(=O)N[C@H]3C2)C1=O ZINC000930679923 656839434 /nfs/dbraw/zinc/83/94/34/656839434.db2.gz RIICRRYPKXTTTD-GUBZILKMSA-N 1 2 269.301 -1.262 20 0 CAADLO C[C@H]1C[N@H+](C[C@@H](O)C2(O)CCOCC2)CC(=O)N1 ZINC000930640876 656839843 /nfs/dbraw/zinc/83/98/43/656839843.db2.gz POHBNWSQFQOTBE-VHSXEESVSA-N 1 2 258.318 -1.291 20 0 CAADLO C[C@H]1C[N@@H+](C[C@@H](O)C2(O)CCOCC2)CC(=O)N1 ZINC000930640876 656839847 /nfs/dbraw/zinc/83/98/47/656839847.db2.gz POHBNWSQFQOTBE-VHSXEESVSA-N 1 2 258.318 -1.291 20 0 CAADLO C[C@@H](C[NH+]1CCOCC1)N1CC(S(N)(=O)=O)C1 ZINC000930731779 656841137 /nfs/dbraw/zinc/84/11/37/656841137.db2.gz MGMPHILFVKJYQB-VIFPVBQESA-N 1 2 263.363 -1.320 20 0 CAADLO CC(C)(C)OC(=O)C(=O)N1CC[NH+](C[C@@H](O)CO)CC1 ZINC000930713132 656841182 /nfs/dbraw/zinc/84/11/82/656841182.db2.gz ZOWUVHDAOFQORF-SNVBAGLBSA-N 1 2 288.344 -1.175 20 0 CAADLO CC(C)(C)OC(=O)C(=O)N1CC[NH+](C[C@H](O)CO)CC1 ZINC000930711142 656841202 /nfs/dbraw/zinc/84/12/02/656841202.db2.gz ZOWUVHDAOFQORF-JTQLQIEISA-N 1 2 288.344 -1.175 20 0 CAADLO COC[C@@H](O)C[NH+]1CCN(C(=O)C(OC)OC)CC1 ZINC000930955104 656841755 /nfs/dbraw/zinc/84/17/55/656841755.db2.gz BZOCNTQVMOWUKR-JTQLQIEISA-N 1 2 276.333 -1.243 20 0 CAADLO COC(OC)C(=O)N1CC[NH+](C[C@@H](O)CO)CC1 ZINC000930954469 656842268 /nfs/dbraw/zinc/84/22/68/656842268.db2.gz LNGCYYKHSOPRAE-SECBINFHSA-N 1 2 262.306 -1.897 20 0 CAADLO C[N@@H+]1CC[C@@H]1CNC(=O)C(=O)NCC1([S@@](C)=O)CC1 ZINC000930756586 656842465 /nfs/dbraw/zinc/84/24/65/656842465.db2.gz BLTPZBLQONBCKJ-AYLIAGHASA-N 1 2 287.385 -1.166 20 0 CAADLO C[N@H+]1CC[C@@H]1CNC(=O)C(=O)NCC1([S@@](C)=O)CC1 ZINC000930756586 656842466 /nfs/dbraw/zinc/84/24/66/656842466.db2.gz BLTPZBLQONBCKJ-AYLIAGHASA-N 1 2 287.385 -1.166 20 0 CAADLO C[C@@H](O)[C@@H](O)C[N@@H+]1CCN(S(C)(=O)=O)[C@H](C)C1 ZINC000931014175 656842845 /nfs/dbraw/zinc/84/28/45/656842845.db2.gz FSHASBDGSFTFAD-BBBLOLIVSA-N 1 2 266.363 -1.306 20 0 CAADLO C[C@@H](O)[C@@H](O)C[N@H+]1CCN(S(C)(=O)=O)[C@H](C)C1 ZINC000931014175 656842848 /nfs/dbraw/zinc/84/28/48/656842848.db2.gz FSHASBDGSFTFAD-BBBLOLIVSA-N 1 2 266.363 -1.306 20 0 CAADLO CNC(=O)NC[C@@H]1C[N@H+](C[C@@H](O)[C@H](C)O)CCO1 ZINC000931168283 656842984 /nfs/dbraw/zinc/84/29/84/656842984.db2.gz WWTZLFFXALPBFU-IVZWLZJFSA-N 1 2 261.322 -1.642 20 0 CAADLO CNC(=O)NC[C@@H]1C[N@@H+](C[C@@H](O)[C@H](C)O)CCO1 ZINC000931168283 656842985 /nfs/dbraw/zinc/84/29/85/656842985.db2.gz WWTZLFFXALPBFU-IVZWLZJFSA-N 1 2 261.322 -1.642 20 0 CAADLO CNC(=O)NC[C@@H]1C[N@H+](C[C@@H](O)[C@@H](C)O)CCO1 ZINC000931168284 656842995 /nfs/dbraw/zinc/84/29/95/656842995.db2.gz WWTZLFFXALPBFU-OPRDCNLKSA-N 1 2 261.322 -1.642 20 0 CAADLO CNC(=O)NC[C@@H]1C[N@@H+](C[C@@H](O)[C@@H](C)O)CCO1 ZINC000931168284 656842997 /nfs/dbraw/zinc/84/29/97/656842997.db2.gz WWTZLFFXALPBFU-OPRDCNLKSA-N 1 2 261.322 -1.642 20 0 CAADLO COC(OC)C(=O)N1CC[NH+](C[C@@H](O)[C@@H](C)O)CC1 ZINC000930956102 656843564 /nfs/dbraw/zinc/84/35/64/656843564.db2.gz AZGRRDWSVXNYJJ-NXEZZACHSA-N 1 2 276.333 -1.509 20 0 CAADLO CN(C)[S@](C)(=O)=NC(=O)CN1CC[N@H+](C)[C@H](CO)C1 ZINC000931400306 656845168 /nfs/dbraw/zinc/84/51/68/656845168.db2.gz NRHZUURAAWSUSM-APBUJDDRSA-N 1 2 292.405 -1.304 20 0 CAADLO CN(C)[S@](C)(=O)=NC(=O)CN1CC[N@@H+](C)[C@H](CO)C1 ZINC000931400306 656845170 /nfs/dbraw/zinc/84/51/70/656845170.db2.gz NRHZUURAAWSUSM-APBUJDDRSA-N 1 2 292.405 -1.304 20 0 CAADLO COCC[N@H+](C)CCNC(=O)C1(OC)CS(=O)(=O)C1 ZINC000931626296 656847031 /nfs/dbraw/zinc/84/70/31/656847031.db2.gz AYMZPOXSNIUCJK-UHFFFAOYSA-N 1 2 294.373 -1.506 20 0 CAADLO COCC[N@@H+](C)CCNC(=O)C1(OC)CS(=O)(=O)C1 ZINC000931626296 656847034 /nfs/dbraw/zinc/84/70/34/656847034.db2.gz AYMZPOXSNIUCJK-UHFFFAOYSA-N 1 2 294.373 -1.506 20 0 CAADLO COCC[NH+]1CCN(C(=O)C(=O)N[C@@H]2COC[C@H]2C)CC1 ZINC000932075102 656853213 /nfs/dbraw/zinc/85/32/13/656853213.db2.gz LQYRKHJNFMXVAU-VXGBXAGGSA-N 1 2 299.371 -1.072 20 0 CAADLO O=C1OCCN1CC[N@@H+]1CCN2[C@H](CNS2(=O)=O)C1 ZINC000933094133 656856451 /nfs/dbraw/zinc/85/64/51/656856451.db2.gz SEILWTCPVBNANA-SECBINFHSA-N 1 2 290.345 -1.727 20 0 CAADLO O=C1OCCN1CC[N@H+]1CCN2[C@H](CNS2(=O)=O)C1 ZINC000933094133 656856454 /nfs/dbraw/zinc/85/64/54/656856454.db2.gz SEILWTCPVBNANA-SECBINFHSA-N 1 2 290.345 -1.727 20 0 CAADLO COC[C@H](C)NC(=O)NC(=O)C[N@@H+]1CC[C@@H]1CO ZINC000934024723 656858616 /nfs/dbraw/zinc/85/86/16/656858616.db2.gz ARXSDQDXWRWGEV-DTWKUNHWSA-N 1 2 259.306 -1.086 20 0 CAADLO COC[C@H](C)NC(=O)NC(=O)C[N@H+]1CC[C@@H]1CO ZINC000934024723 656858617 /nfs/dbraw/zinc/85/86/17/656858617.db2.gz ARXSDQDXWRWGEV-DTWKUNHWSA-N 1 2 259.306 -1.086 20 0 CAADLO O=C(C[N@@H+]1CCC[C@H]1C1OCCO1)N1CCNC(=O)C1 ZINC000933907979 656858891 /nfs/dbraw/zinc/85/88/91/656858891.db2.gz UHCWRGXWYBGVAZ-JTQLQIEISA-N 1 2 283.328 -1.218 20 0 CAADLO O=C(C[N@H+]1CCC[C@H]1C1OCCO1)N1CCNC(=O)C1 ZINC000933907979 656858894 /nfs/dbraw/zinc/85/88/94/656858894.db2.gz UHCWRGXWYBGVAZ-JTQLQIEISA-N 1 2 283.328 -1.218 20 0 CAADLO C[C@@H]1C[C@H](NC(=O)C(N)=O)CC[N@@H+]1Cc1nncn1C ZINC000947667912 656868954 /nfs/dbraw/zinc/86/89/54/656868954.db2.gz UCQAABUIEXFXRX-RKDXNWHRSA-N 1 2 280.332 -1.231 20 0 CAADLO C[C@@H]1C[C@H](NC(=O)C(N)=O)CC[N@H+]1Cc1nncn1C ZINC000947667912 656868956 /nfs/dbraw/zinc/86/89/56/656868956.db2.gz UCQAABUIEXFXRX-RKDXNWHRSA-N 1 2 280.332 -1.231 20 0 CAADLO C[C@H]1C[C@H](NC(=O)C(N)=O)CC[N@@H+]1Cc1ncnn1C ZINC000947670414 656869106 /nfs/dbraw/zinc/86/91/06/656869106.db2.gz DVMWAPVOKZAXHR-DTWKUNHWSA-N 1 2 280.332 -1.231 20 0 CAADLO C[C@H]1C[C@H](NC(=O)C(N)=O)CC[N@H+]1Cc1ncnn1C ZINC000947670414 656869107 /nfs/dbraw/zinc/86/91/07/656869107.db2.gz DVMWAPVOKZAXHR-DTWKUNHWSA-N 1 2 280.332 -1.231 20 0 CAADLO C[C@H]1C[C@@H](NC(=O)C(N)=O)CC[N@@H+]1Cc1cnn(C)n1 ZINC000947671554 656869149 /nfs/dbraw/zinc/86/91/49/656869149.db2.gz MLEMSXBCRNYUTE-IUCAKERBSA-N 1 2 280.332 -1.231 20 0 CAADLO C[C@H]1C[C@@H](NC(=O)C(N)=O)CC[N@H+]1Cc1cnn(C)n1 ZINC000947671554 656869151 /nfs/dbraw/zinc/86/91/51/656869151.db2.gz MLEMSXBCRNYUTE-IUCAKERBSA-N 1 2 280.332 -1.231 20 0 CAADLO C[C@H]1C[C@H](NC(=O)c2nnc[nH]2)CC[N@@H+]1CC(N)=O ZINC000947828867 656869625 /nfs/dbraw/zinc/86/96/25/656869625.db2.gz JNGYLWUKTMZVRY-JGVFFNPUSA-N 1 2 266.305 -1.127 20 0 CAADLO C[C@H]1C[C@H](NC(=O)c2nnc[nH]2)CC[N@H+]1CC(N)=O ZINC000947828867 656869631 /nfs/dbraw/zinc/86/96/31/656869631.db2.gz JNGYLWUKTMZVRY-JGVFFNPUSA-N 1 2 266.305 -1.127 20 0 CAADLO C[C@H]1C[C@H](NC(=O)c2ncn[nH]2)CC[N@@H+]1CC(N)=O ZINC000947828867 656869636 /nfs/dbraw/zinc/86/96/36/656869636.db2.gz JNGYLWUKTMZVRY-JGVFFNPUSA-N 1 2 266.305 -1.127 20 0 CAADLO C[C@H]1C[C@H](NC(=O)c2ncn[nH]2)CC[N@H+]1CC(N)=O ZINC000947828867 656869637 /nfs/dbraw/zinc/86/96/37/656869637.db2.gz JNGYLWUKTMZVRY-JGVFFNPUSA-N 1 2 266.305 -1.127 20 0 CAADLO C[C@@H]1C[C@H](NC(=O)c2nnc[nH]2)CC[N@@H+]1CC(N)=O ZINC000947828866 656869758 /nfs/dbraw/zinc/86/97/58/656869758.db2.gz JNGYLWUKTMZVRY-HTQZYQBOSA-N 1 2 266.305 -1.127 20 0 CAADLO C[C@@H]1C[C@H](NC(=O)c2nnc[nH]2)CC[N@H+]1CC(N)=O ZINC000947828866 656869762 /nfs/dbraw/zinc/86/97/62/656869762.db2.gz JNGYLWUKTMZVRY-HTQZYQBOSA-N 1 2 266.305 -1.127 20 0 CAADLO C[C@@H]1C[C@H](NC(=O)c2ncn[nH]2)CC[N@@H+]1CC(N)=O ZINC000947828866 656869763 /nfs/dbraw/zinc/86/97/63/656869763.db2.gz JNGYLWUKTMZVRY-HTQZYQBOSA-N 1 2 266.305 -1.127 20 0 CAADLO C[C@@H]1C[C@H](NC(=O)c2ncn[nH]2)CC[N@H+]1CC(N)=O ZINC000947828866 656869766 /nfs/dbraw/zinc/86/97/66/656869766.db2.gz JNGYLWUKTMZVRY-HTQZYQBOSA-N 1 2 266.305 -1.127 20 0 CAADLO C[C@@H]1CN(C(=O)CC(N)=O)C[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC000948040202 656870732 /nfs/dbraw/zinc/87/07/32/656870732.db2.gz OLJPNSAEGFKGRQ-NXEZZACHSA-N 1 2 293.327 -1.278 20 0 CAADLO NC(=O)C(=O)NC1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000947999754 656871330 /nfs/dbraw/zinc/87/13/30/656871330.db2.gz CYOOQYCAAHKZJQ-UHFFFAOYSA-N 1 2 279.300 -1.455 20 0 CAADLO NC(=O)C(=O)N1CCC(NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000948075732 656872077 /nfs/dbraw/zinc/87/20/77/656872077.db2.gz MFLJTICRSSIROA-UHFFFAOYSA-N 1 2 279.300 -1.455 20 0 CAADLO NC(=O)C(=O)N1CCC(NC(=O)Cn2cc[nH+]c2)CC1 ZINC000948083939 656872259 /nfs/dbraw/zinc/87/22/59/656872259.db2.gz FSZQPVIJVZICEM-UHFFFAOYSA-N 1 2 279.300 -1.524 20 0 CAADLO NC(=O)C(=O)NC1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000948579431 656873067 /nfs/dbraw/zinc/87/30/67/656873067.db2.gz YXMMQFNBSXWEAY-UHFFFAOYSA-N 1 2 279.300 -1.455 20 0 CAADLO Cn1cnc(C(=O)N2CC[NH+](CCO)CC2)cc1=O ZINC000948835230 656874126 /nfs/dbraw/zinc/87/41/26/656874126.db2.gz KTMMGFCCKNFXTO-UHFFFAOYSA-N 1 2 266.301 -1.470 20 0 CAADLO Cn1cc(C(N)=O)cc1C(=O)N1CC[NH+](CCO)CC1 ZINC000949130626 656876455 /nfs/dbraw/zinc/87/64/55/656876455.db2.gz TXCFVHSZXOLACY-UHFFFAOYSA-N 1 2 280.328 -1.126 20 0 CAADLO Cn1cc[nH+]c1CCC(=O)N1CCN(CC(N)=O)CC1 ZINC000949427984 656877401 /nfs/dbraw/zinc/87/74/01/656877401.db2.gz JYROZMGAHFTMKQ-UHFFFAOYSA-N 1 2 279.344 -1.018 20 0 CAADLO O=C([C@@H]1Cc2cncn2C(=O)N1)N1CC[NH+](CCO)CC1 ZINC000949442554 656877504 /nfs/dbraw/zinc/87/75/04/656877504.db2.gz AWZNUSRQNFDGJJ-NSHDSACASA-N 1 2 293.327 -1.498 20 0 CAADLO Cn1nnc(C(=O)N2CC[NH+](CCCO)CC2)n1 ZINC000949721836 656878851 /nfs/dbraw/zinc/87/88/51/656878851.db2.gz SBNFSPDKAHRITE-UHFFFAOYSA-N 1 2 254.294 -1.650 20 0 CAADLO O=C([C@H]1CCNC1=O)N1CC[NH+](CCn2cncn2)CC1 ZINC000949648563 656879016 /nfs/dbraw/zinc/87/90/16/656879016.db2.gz JWFUPZBRYVWSJV-NSHDSACASA-N 1 2 292.343 -1.442 20 0 CAADLO C[C@H](O)C[NH+]1CCN(C(=O)c2nnn(C)n2)CC1 ZINC000949719427 656879165 /nfs/dbraw/zinc/87/91/65/656879165.db2.gz UIAJLZFPGNNAFG-QMMMGPOBSA-N 1 2 254.294 -1.651 20 0 CAADLO C[C@@H](O)C[NH+]1CCN(C(=O)c2nnn(C)n2)CC1 ZINC000949719426 656879467 /nfs/dbraw/zinc/87/94/67/656879467.db2.gz UIAJLZFPGNNAFG-MRVPVSSYSA-N 1 2 254.294 -1.651 20 0 CAADLO O=C([C@@H]1CNC(=O)N1)N1CC[NH+](CCn2cccn2)CC1 ZINC000949946673 656880037 /nfs/dbraw/zinc/88/00/37/656880037.db2.gz ARDVSXOODRVVJT-NSHDSACASA-N 1 2 292.343 -1.291 20 0 CAADLO O=C([C@@H]1CNC(=O)N1)N1CC[NH+](CCn2cncn2)CC1 ZINC000949947461 656880153 /nfs/dbraw/zinc/88/01/53/656880153.db2.gz HXSIXDRMFVBBBV-JTQLQIEISA-N 1 2 293.331 -1.896 20 0 CAADLO Cn1cc(CC[NH+]2CCN(C(=O)C(N)=O)CC2)cn1 ZINC000949974016 656880719 /nfs/dbraw/zinc/88/07/19/656880719.db2.gz VRYGNTIZAOMGJQ-UHFFFAOYSA-N 1 2 265.317 -1.408 20 0 CAADLO NC(=O)C(=O)N1CC[NH+](C[C@@H]2CCc3ncnn32)CC1 ZINC000949976834 656880752 /nfs/dbraw/zinc/88/07/52/656880752.db2.gz DPJKLFPOKPEERF-VIFPVBQESA-N 1 2 278.316 -1.605 20 0 CAADLO NC(=O)CC(=O)N1CCC[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000950263223 656882571 /nfs/dbraw/zinc/88/25/71/656882571.db2.gz VAQLTTHOQBPPJK-VIFPVBQESA-N 1 2 293.327 -1.065 20 0 CAADLO NC(=O)CC(=O)N1CCC[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC000950257201 656883180 /nfs/dbraw/zinc/88/31/80/656883180.db2.gz DEADZFPJAJDGHL-VIFPVBQESA-N 1 2 293.327 -1.065 20 0 CAADLO NC(=O)[C@@H]1CC[C@H](C(=O)N2CC[NH+](CCO)CC2)O1 ZINC000950474270 656883448 /nfs/dbraw/zinc/88/34/48/656883448.db2.gz AFNBJOVNPYQRNP-VHSXEESVSA-N 1 2 271.317 -1.844 20 0 CAADLO Cn1nnnc1CN1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000950787309 656884515 /nfs/dbraw/zinc/88/45/15/656884515.db2.gz LUJSZSAMSKMNED-UHFFFAOYSA-N 1 2 290.331 -1.180 20 0 CAADLO NC(=O)C(=O)N[C@@H]1CCCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000950617264 656884530 /nfs/dbraw/zinc/88/45/30/656884530.db2.gz SDVRHTLYRGUPCZ-SECBINFHSA-N 1 2 293.327 -1.065 20 0 CAADLO C[C@@H](C(N)=O)N1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000950732249 656884625 /nfs/dbraw/zinc/88/46/25/656884625.db2.gz HCOKCCOMFXYAAC-VIFPVBQESA-N 1 2 265.317 -1.030 20 0 CAADLO O=C(Cc1c[nH+]c[nH]1)N1CCN([C@@H]2CCNC2=O)CC1 ZINC000950808425 656884854 /nfs/dbraw/zinc/88/48/54/656884854.db2.gz UKNSFXSYIQZLEH-LLVKDONJSA-N 1 2 277.328 -1.015 20 0 CAADLO C[C@H](C(N)=O)N1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000950732248 656884879 /nfs/dbraw/zinc/88/48/79/656884879.db2.gz HCOKCCOMFXYAAC-SECBINFHSA-N 1 2 265.317 -1.030 20 0 CAADLO Cn1nnc(CN2CCN(C(=O)Cc3c[nH+]c[nH]3)CC2)n1 ZINC000950787811 656884990 /nfs/dbraw/zinc/88/49/90/656884990.db2.gz YVQIRJGOZLSUPN-UHFFFAOYSA-N 1 2 290.331 -1.180 20 0 CAADLO NC(=O)C(=O)N[C@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC000951149668 656886283 /nfs/dbraw/zinc/88/62/83/656886283.db2.gz QVTGZLMHZLSWRB-JTQLQIEISA-N 1 2 293.327 -1.065 20 0 CAADLO NC(=O)C(=O)N[C@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC000951149668 656886286 /nfs/dbraw/zinc/88/62/86/656886286.db2.gz QVTGZLMHZLSWRB-JTQLQIEISA-N 1 2 293.327 -1.065 20 0 CAADLO Cn1c[nH+]cc1CC(=O)N1CCC[C@@H](NC(=O)C(N)=O)C1 ZINC000951412716 656887050 /nfs/dbraw/zinc/88/70/50/656887050.db2.gz BDJIMCYDGURZPW-SECBINFHSA-N 1 2 293.327 -1.445 20 0 CAADLO NC(=O)C(=O)N[C@@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC000951458345 656887870 /nfs/dbraw/zinc/88/78/70/656887870.db2.gz GCOUMGNRCJWPPV-SNVBAGLBSA-N 1 2 293.327 -1.134 20 0 CAADLO Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@H](NC(=O)C(N)=O)C1 ZINC000951511038 656887986 /nfs/dbraw/zinc/88/79/86/656887986.db2.gz YXGYVWPEMLWZPS-VIFPVBQESA-N 1 2 293.327 -1.147 20 0 CAADLO O=C(C1CC2(C1)NC(=O)NC2=O)N1CC[NH+](CCO)CC1 ZINC000951706982 656888878 /nfs/dbraw/zinc/88/88/78/656888878.db2.gz PYPYGFFOHGBVFO-UHFFFAOYSA-N 1 2 296.327 -1.889 20 0 CAADLO Cn1ncc(C(=O)N2CC[NH+](CCCO)CC2)n1 ZINC000951742581 656890098 /nfs/dbraw/zinc/89/00/98/656890098.db2.gz AQOCZOYOKSGZMT-UHFFFAOYSA-N 1 2 253.306 -1.045 20 0 CAADLO NC(=O)C(=O)N1CCC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000951860458 656892980 /nfs/dbraw/zinc/89/29/80/656892980.db2.gz IBEPHTMETWHZFS-SECBINFHSA-N 1 2 279.300 -1.524 20 0 CAADLO NC(=O)C(=O)N[C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000952151319 656895025 /nfs/dbraw/zinc/89/50/25/656895025.db2.gz IKVJHFPEDDOAFM-QMMMGPOBSA-N 1 2 279.300 -1.455 20 0 CAADLO CNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)c2cnnn2C)C1 ZINC001007244802 656898494 /nfs/dbraw/zinc/89/84/94/656898494.db2.gz WOIXYWNBNQLNQA-SECBINFHSA-N 1 2 280.332 -1.245 20 0 CAADLO CNC(=O)C[N@H+]1CCC[C@@H](NC(=O)c2cnnn2C)C1 ZINC001007244802 656898497 /nfs/dbraw/zinc/89/84/97/656898497.db2.gz WOIXYWNBNQLNQA-SECBINFHSA-N 1 2 280.332 -1.245 20 0 CAADLO Cc1[nH+]c[nH]c1CC(=O)N(C)C1CN(C(=O)CC(N)=O)C1 ZINC000954933518 656898782 /nfs/dbraw/zinc/89/87/82/656898782.db2.gz XQWRZUKEQCCVJG-UHFFFAOYSA-N 1 2 293.327 -1.195 20 0 CAADLO C[C@@H](CC(=O)N1CC(N(C)C(=O)C(N)=O)C1)n1cc[nH+]c1 ZINC000955162522 656899493 /nfs/dbraw/zinc/89/94/93/656899493.db2.gz VPEFJAHEEQATBW-VIFPVBQESA-N 1 2 293.327 -1.011 20 0 CAADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC(N(C)C(=O)C(N)=O)C1 ZINC000955163038 656900569 /nfs/dbraw/zinc/90/05/69/656900569.db2.gz GXZNMWPIOSWGKD-QMMMGPOBSA-N 1 2 293.327 -1.257 20 0 CAADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC(N(C)C(=O)C(N)=O)C1 ZINC000955163038 656900586 /nfs/dbraw/zinc/90/05/86/656900586.db2.gz GXZNMWPIOSWGKD-QMMMGPOBSA-N 1 2 293.327 -1.257 20 0 CAADLO C[C@H]1C[C@H](NC(=O)Cc2[nH]cc[nH+]2)CCN1C(=O)C(N)=O ZINC000955792911 656903104 /nfs/dbraw/zinc/90/31/04/656903104.db2.gz AVJYKISRNOITBY-DTWKUNHWSA-N 1 2 293.327 -1.067 20 0 CAADLO C[C@@H]1C[C@H](NC(=O)C(N)=O)CCN1C(=O)Cn1cc[nH+]c1 ZINC000955731318 656904005 /nfs/dbraw/zinc/90/40/05/656904005.db2.gz UOPRPRXMJHJOOI-NXEZZACHSA-N 1 2 293.327 -1.136 20 0 CAADLO C[C@@H]1C[C@@H](NC(=O)C(N)=O)CCN1C(=O)Cc1c[nH+]c[nH]1 ZINC000955839644 656906114 /nfs/dbraw/zinc/90/61/14/656906114.db2.gz OSDPRWPBNACXBO-BDAKNGLRSA-N 1 2 293.327 -1.067 20 0 CAADLO C[C@H]1C[C@H](NC(=O)Cn2cc[nH+]c2)CCN1C(=O)C(N)=O ZINC000955807759 656906295 /nfs/dbraw/zinc/90/62/95/656906295.db2.gz ZUKFNDUKILDKQG-VHSXEESVSA-N 1 2 293.327 -1.136 20 0 CAADLO C[C@@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2)CCN1C(=O)C(N)=O ZINC000955807760 656907329 /nfs/dbraw/zinc/90/73/29/656907329.db2.gz ZUKFNDUKILDKQG-ZJUUUORDSA-N 1 2 293.327 -1.136 20 0 CAADLO C[C@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2)CCN1C(=O)C(N)=O ZINC000955807758 656907386 /nfs/dbraw/zinc/90/73/86/656907386.db2.gz ZUKFNDUKILDKQG-UWVGGRQHSA-N 1 2 293.327 -1.136 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CCC[C@H](NC(=O)c2ncn(C)n2)C1 ZINC001007262064 656914167 /nfs/dbraw/zinc/91/41/67/656914167.db2.gz PFWNWZKAISRCST-IUCAKERBSA-N 1 2 280.332 -1.117 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CCC[C@H](NC(=O)c2ncn(C)n2)C1 ZINC001007262064 656914184 /nfs/dbraw/zinc/91/41/84/656914184.db2.gz PFWNWZKAISRCST-IUCAKERBSA-N 1 2 280.332 -1.117 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@@H](NC(=O)[C@H]2COC(=O)N2)C1 ZINC001007262751 656915485 /nfs/dbraw/zinc/91/54/85/656915485.db2.gz RRBPXNITPJMDRD-HTQZYQBOSA-N 1 2 270.289 -1.839 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2COC(=O)N2)C1 ZINC001007262751 656915476 /nfs/dbraw/zinc/91/54/76/656915476.db2.gz RRBPXNITPJMDRD-HTQZYQBOSA-N 1 2 270.289 -1.839 20 0 CAADLO Cc1nnc(CC(=O)N[C@H]2CCC[N@H+](CC(N)=O)C2)o1 ZINC001007268502 656915733 /nfs/dbraw/zinc/91/57/33/656915733.db2.gz QLXNQEDHSVJSNI-VIFPVBQESA-N 1 2 281.316 -1.014 20 0 CAADLO Cc1nnc(CC(=O)N[C@H]2CCC[N@@H+](CC(N)=O)C2)o1 ZINC001007268502 656915739 /nfs/dbraw/zinc/91/57/39/656915739.db2.gz QLXNQEDHSVJSNI-VIFPVBQESA-N 1 2 281.316 -1.014 20 0 CAADLO Cn1c[nH+]cc1CC(=O)N1CCN([C@H]2CCNC2=O)CC1 ZINC000957332685 656917547 /nfs/dbraw/zinc/91/75/47/656917547.db2.gz ZZQIWSPIWBWMHO-LBPRGKRZSA-N 1 2 291.355 -1.005 20 0 CAADLO Cn1c[nH+]cc1CC(=O)N1CCN([C@@H]2CCNC2=O)CC1 ZINC000957332675 656917921 /nfs/dbraw/zinc/91/79/21/656917921.db2.gz ZZQIWSPIWBWMHO-GFCCVEGCSA-N 1 2 291.355 -1.005 20 0 CAADLO Cn1c[nH+]cc1CC(=O)N1CCN(CC(N)=O)CC1 ZINC000957332362 656918789 /nfs/dbraw/zinc/91/87/89/656918789.db2.gz PBRKVEGNJRWDBO-UHFFFAOYSA-N 1 2 265.317 -1.408 20 0 CAADLO O=C([C@@H]1CCC(=O)N1)N1CC[NH+](CCn2cncn2)CC1 ZINC000957388756 656921073 /nfs/dbraw/zinc/92/10/73/656921073.db2.gz VLEDZFRXRWEGSX-NSHDSACASA-N 1 2 292.343 -1.299 20 0 CAADLO Cn1c[nH+]cc1CCC(=O)N1CCN(CC(N)=O)CC1 ZINC000957511452 656921177 /nfs/dbraw/zinc/92/11/77/656921177.db2.gz DYRUBJAFXRARMB-UHFFFAOYSA-N 1 2 279.344 -1.018 20 0 CAADLO C[C@@H](O)C[NH+]1CCN(C(=O)c2nccnc2C(N)=O)CC1 ZINC000957589403 656922106 /nfs/dbraw/zinc/92/21/06/656922106.db2.gz HPHDGNABFBIFQG-SECBINFHSA-N 1 2 293.327 -1.286 20 0 CAADLO C[C@H](O)C[NH+]1CCN(C(=O)c2cn(CC(N)=O)nn2)CC1 ZINC000957776275 656922164 /nfs/dbraw/zinc/92/21/64/656922164.db2.gz BIBQOIKEVDTILL-VIFPVBQESA-N 1 2 296.331 -2.098 20 0 CAADLO NC(=O)Cn1cc(C(=O)N2CC[NH+](CCCO)CC2)nn1 ZINC000957776320 656922570 /nfs/dbraw/zinc/92/25/70/656922570.db2.gz FBRXIWDICDNVFR-UHFFFAOYSA-N 1 2 296.331 -2.096 20 0 CAADLO C[C@@H](O)C[NH+]1CCN(C(=O)c2cn(CC(N)=O)nn2)CC1 ZINC000957776274 656922923 /nfs/dbraw/zinc/92/29/23/656922923.db2.gz BIBQOIKEVDTILL-SECBINFHSA-N 1 2 296.331 -2.098 20 0 CAADLO O=C([C@H]1CCc2nncn2C1)N1CC[NH+](CCO)CC1 ZINC000957754316 656923195 /nfs/dbraw/zinc/92/31/95/656923195.db2.gz JKFJMDPSLMAKEB-NSHDSACASA-N 1 2 279.344 -1.023 20 0 CAADLO NC(=O)c1cncc(C(=O)N2CC[NH+](CCO)CC2)c1 ZINC000957685948 656923447 /nfs/dbraw/zinc/92/34/47/656923447.db2.gz YBIICSFVJFXKPE-UHFFFAOYSA-N 1 2 278.312 -1.069 20 0 CAADLO O=C(Cn1cncn1)N1CC[NH+](CCn2cncn2)CC1 ZINC000957575497 656923607 /nfs/dbraw/zinc/92/36/07/656923607.db2.gz CJFSGCIBAUWSDZ-UHFFFAOYSA-N 1 2 290.331 -1.286 20 0 CAADLO CS(=O)(=O)CC[N@@H+]1C[C@H](O)[C@@H](CNC(=O)C2CC2)C1 ZINC000957784475 656925867 /nfs/dbraw/zinc/92/58/67/656925867.db2.gz QBPHMQLOBBGJGT-QWRGUYRKSA-N 1 2 290.385 -1.150 20 0 CAADLO CS(=O)(=O)CC[N@H+]1C[C@H](O)[C@@H](CNC(=O)C2CC2)C1 ZINC000957784475 656925879 /nfs/dbraw/zinc/92/58/79/656925879.db2.gz QBPHMQLOBBGJGT-QWRGUYRKSA-N 1 2 290.385 -1.150 20 0 CAADLO Cn1[nH]c(C[N@@H+]2C[C@H](O)[C@@H](CNC(=O)C3CC3)C2)nc1=O ZINC000957785051 656926152 /nfs/dbraw/zinc/92/61/52/656926152.db2.gz UBJMPKUUYDXDOB-UWVGGRQHSA-N 1 2 295.343 -1.573 20 0 CAADLO Cn1[nH]c(C[N@H+]2C[C@H](O)[C@@H](CNC(=O)C3CC3)C2)nc1=O ZINC000957785051 656926160 /nfs/dbraw/zinc/92/61/60/656926160.db2.gz UBJMPKUUYDXDOB-UWVGGRQHSA-N 1 2 295.343 -1.573 20 0 CAADLO Cc1cc(C(=O)NC[C@@H]2C[N@H+](CC(N)=O)C[C@H]2O)on1 ZINC000957859764 656929583 /nfs/dbraw/zinc/92/95/83/656929583.db2.gz VCBRKXLVKMXWOH-RKDXNWHRSA-N 1 2 282.300 -1.509 20 0 CAADLO Cc1cc(C(=O)NC[C@@H]2C[N@@H+](CC(N)=O)C[C@H]2O)on1 ZINC000957859764 656929587 /nfs/dbraw/zinc/92/95/87/656929587.db2.gz VCBRKXLVKMXWOH-RKDXNWHRSA-N 1 2 282.300 -1.509 20 0 CAADLO NC(=O)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2cnsn2)C1 ZINC000957890748 656930429 /nfs/dbraw/zinc/93/04/29/656930429.db2.gz RIRHNIHREORKTJ-SVRRBLITSA-N 1 2 285.329 -1.954 20 0 CAADLO NC(=O)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2cnsn2)C1 ZINC000957890748 656930441 /nfs/dbraw/zinc/93/04/41/656930441.db2.gz RIRHNIHREORKTJ-SVRRBLITSA-N 1 2 285.329 -1.954 20 0 CAADLO O=C(Cn1cc[nH+]c1)N1CCN([C@H]2CCNC2=O)CC1 ZINC000957899464 656931512 /nfs/dbraw/zinc/93/15/12/656931512.db2.gz CPRPIWSUKCXWQM-NSHDSACASA-N 1 2 277.328 -1.084 20 0 CAADLO NC(=O)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cnns2)C1 ZINC000957902702 656931533 /nfs/dbraw/zinc/93/15/33/656931533.db2.gz VUCQOAACPWFJIC-NKWVEPMBSA-N 1 2 285.329 -1.954 20 0 CAADLO NC(=O)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cnns2)C1 ZINC000957902702 656931541 /nfs/dbraw/zinc/93/15/41/656931541.db2.gz VUCQOAACPWFJIC-NKWVEPMBSA-N 1 2 285.329 -1.954 20 0 CAADLO CNC(=O)C[N@@H+]1CCC[C@H](NC(=O)c2ncn(C)n2)C1 ZINC001007273495 656931581 /nfs/dbraw/zinc/93/15/81/656931581.db2.gz PIGHEFNHYXXHHF-VIFPVBQESA-N 1 2 280.332 -1.245 20 0 CAADLO CNC(=O)C[N@H+]1CCC[C@H](NC(=O)c2ncn(C)n2)C1 ZINC001007273495 656931586 /nfs/dbraw/zinc/93/15/86/656931586.db2.gz PIGHEFNHYXXHHF-VIFPVBQESA-N 1 2 280.332 -1.245 20 0 CAADLO O=C(Cn1cc[nH+]c1)N1CCN([C@@H]2CCNC2=O)CC1 ZINC000957899463 656932019 /nfs/dbraw/zinc/93/20/19/656932019.db2.gz CPRPIWSUKCXWQM-LLVKDONJSA-N 1 2 277.328 -1.084 20 0 CAADLO NC(=O)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2ncccc2O)C1 ZINC000957995558 656941213 /nfs/dbraw/zinc/94/12/13/656941213.db2.gz NPKXZLUDWVXKLM-WPRPVWTQSA-N 1 2 294.311 -1.705 20 0 CAADLO NC(=O)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2ncccc2O)C1 ZINC000957995558 656941219 /nfs/dbraw/zinc/94/12/19/656941219.db2.gz NPKXZLUDWVXKLM-WPRPVWTQSA-N 1 2 294.311 -1.705 20 0 CAADLO O=C(NC[C@H]1C[N@@H+](CCF)C[C@H]1O)c1cn[nH]n1 ZINC000958207070 656950935 /nfs/dbraw/zinc/95/09/35/656950935.db2.gz QTVZDPROEXYVKE-IONNQARKSA-N 1 2 257.269 -1.203 20 0 CAADLO O=C(NC[C@H]1C[N@H+](CCF)C[C@H]1O)c1cn[nH]n1 ZINC000958207070 656950939 /nfs/dbraw/zinc/95/09/39/656950939.db2.gz QTVZDPROEXYVKE-IONNQARKSA-N 1 2 257.269 -1.203 20 0 CAADLO O=C(NC[C@H]1C[N@@H+](CCF)C[C@H]1O)c1cnn[nH]1 ZINC000958207070 656950943 /nfs/dbraw/zinc/95/09/43/656950943.db2.gz QTVZDPROEXYVKE-IONNQARKSA-N 1 2 257.269 -1.203 20 0 CAADLO O=C(NC[C@H]1C[N@H+](CCF)C[C@H]1O)c1cnn[nH]1 ZINC000958207070 656950948 /nfs/dbraw/zinc/95/09/48/656950948.db2.gz QTVZDPROEXYVKE-IONNQARKSA-N 1 2 257.269 -1.203 20 0 CAADLO NC(=O)C[N@H+]1C[C@@H](CNC(=O)c2cnco2)[C@H](O)C1 ZINC000958290916 656953606 /nfs/dbraw/zinc/95/36/06/656953606.db2.gz IPDOILFEOCFJJO-HTQZYQBOSA-N 1 2 268.273 -1.818 20 0 CAADLO NC(=O)C[N@@H+]1C[C@@H](CNC(=O)c2cnco2)[C@H](O)C1 ZINC000958290916 656953613 /nfs/dbraw/zinc/95/36/13/656953613.db2.gz IPDOILFEOCFJJO-HTQZYQBOSA-N 1 2 268.273 -1.818 20 0 CAADLO NC(=O)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2csnn2)C1 ZINC000958288649 656953645 /nfs/dbraw/zinc/95/36/45/656953645.db2.gz OVFCSXBUOJCHKR-POYBYMJQSA-N 1 2 285.329 -1.954 20 0 CAADLO NC(=O)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2csnn2)C1 ZINC000958288649 656953654 /nfs/dbraw/zinc/95/36/54/656953654.db2.gz OVFCSXBUOJCHKR-POYBYMJQSA-N 1 2 285.329 -1.954 20 0 CAADLO NC(=O)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2csnn2)C1 ZINC000958288653 656954302 /nfs/dbraw/zinc/95/43/02/656954302.db2.gz OVFCSXBUOJCHKR-XPUUQOCRSA-N 1 2 285.329 -1.954 20 0 CAADLO NC(=O)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2csnn2)C1 ZINC000958288653 656954314 /nfs/dbraw/zinc/95/43/14/656954314.db2.gz OVFCSXBUOJCHKR-XPUUQOCRSA-N 1 2 285.329 -1.954 20 0 CAADLO Cn1nnc(C(=O)NC[C@H]2C[N@H+](CC(N)=O)C[C@@H]2O)n1 ZINC000958316964 656956301 /nfs/dbraw/zinc/95/63/01/656956301.db2.gz QFYYVEGTYKOMRZ-BQBZGAKWSA-N 1 2 283.292 -3.282 20 0 CAADLO Cn1nnc(C(=O)NC[C@H]2C[N@@H+](CC(N)=O)C[C@@H]2O)n1 ZINC000958316964 656956309 /nfs/dbraw/zinc/95/63/09/656956309.db2.gz QFYYVEGTYKOMRZ-BQBZGAKWSA-N 1 2 283.292 -3.282 20 0 CAADLO C[C@@H]1CN(C(=O)C(N)=O)C[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC000958342572 656960242 /nfs/dbraw/zinc/96/02/42/656960242.db2.gz GJEBNUDPONSPGV-PSASIEDQSA-N 1 2 293.327 -1.589 20 0 CAADLO O=C(NC[C@H]1C[N@@H+](CCF)C[C@H]1O)c1ncn[nH]1 ZINC000958503116 656968624 /nfs/dbraw/zinc/96/86/24/656968624.db2.gz OLIXJUXZXMQQTE-JGVFFNPUSA-N 1 2 257.269 -1.203 20 0 CAADLO O=C(NC[C@H]1C[N@H+](CCF)C[C@H]1O)c1ncn[nH]1 ZINC000958503116 656968632 /nfs/dbraw/zinc/96/86/32/656968632.db2.gz OLIXJUXZXMQQTE-JGVFFNPUSA-N 1 2 257.269 -1.203 20 0 CAADLO O=C(NC[C@@H]1C[N@@H+](CCF)C[C@H]1O)c1ncn[nH]1 ZINC000958503115 656969821 /nfs/dbraw/zinc/96/98/21/656969821.db2.gz OLIXJUXZXMQQTE-HTQZYQBOSA-N 1 2 257.269 -1.203 20 0 CAADLO O=C(NC[C@@H]1C[N@H+](CCF)C[C@H]1O)c1ncn[nH]1 ZINC000958503115 656969833 /nfs/dbraw/zinc/96/98/33/656969833.db2.gz OLIXJUXZXMQQTE-HTQZYQBOSA-N 1 2 257.269 -1.203 20 0 CAADLO NC(=O)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2cnon2)C1 ZINC000958503832 656970547 /nfs/dbraw/zinc/97/05/47/656970547.db2.gz TUWMDLKDOZUUNF-XPUUQOCRSA-N 1 2 269.261 -2.423 20 0 CAADLO NC(=O)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2cnon2)C1 ZINC000958503832 656970555 /nfs/dbraw/zinc/97/05/55/656970555.db2.gz TUWMDLKDOZUUNF-XPUUQOCRSA-N 1 2 269.261 -2.423 20 0 CAADLO NC(=O)C[N@H+]1C[C@@H](CNC(=O)c2cnon2)[C@H](O)C1 ZINC000958503826 656971046 /nfs/dbraw/zinc/97/10/46/656971046.db2.gz TUWMDLKDOZUUNF-HTRCEHHLSA-N 1 2 269.261 -2.423 20 0 CAADLO NC(=O)C[N@@H+]1C[C@@H](CNC(=O)c2cnon2)[C@H](O)C1 ZINC000958503826 656971073 /nfs/dbraw/zinc/97/10/73/656971073.db2.gz TUWMDLKDOZUUNF-HTRCEHHLSA-N 1 2 269.261 -2.423 20 0 CAADLO O=C(N[C@@H]1[C@H]2C[N@H+](Cc3cnon3)C[C@H]21)[C@H]1COC(=O)N1 ZINC000958737235 656978500 /nfs/dbraw/zinc/97/85/00/656978500.db2.gz FWNDPLGVLSZJQQ-RGOKHQFPSA-N 1 2 293.283 -1.276 20 0 CAADLO O=C(N[C@@H]1[C@H]2C[N@@H+](Cc3cnon3)C[C@H]21)[C@H]1COC(=O)N1 ZINC000958737235 656978506 /nfs/dbraw/zinc/97/85/06/656978506.db2.gz FWNDPLGVLSZJQQ-RGOKHQFPSA-N 1 2 293.283 -1.276 20 0 CAADLO O=C(N[C@@H]1[C@H]2C[N@H+](Cc3cnon3)C[C@H]21)[C@@H]1COC(=O)N1 ZINC000958737234 656978915 /nfs/dbraw/zinc/97/89/15/656978915.db2.gz FWNDPLGVLSZJQQ-QCLAVDOMSA-N 1 2 293.283 -1.276 20 0 CAADLO O=C(N[C@@H]1[C@H]2C[N@@H+](Cc3cnon3)C[C@H]21)[C@@H]1COC(=O)N1 ZINC000958737234 656978923 /nfs/dbraw/zinc/97/89/23/656978923.db2.gz FWNDPLGVLSZJQQ-QCLAVDOMSA-N 1 2 293.283 -1.276 20 0 CAADLO Cc1nc(CC(=O)N[C@@H]2[C@H]3C[N@H+](CC(N)=O)C[C@H]32)n[nH]1 ZINC000958816403 656981985 /nfs/dbraw/zinc/98/19/85/656981985.db2.gz MYMVHULYKIPFEE-JDICNCQASA-N 1 2 278.316 -1.813 20 0 CAADLO Cc1nc(CC(=O)N[C@@H]2[C@H]3C[N@@H+](CC(N)=O)C[C@H]32)n[nH]1 ZINC000958816403 656981998 /nfs/dbraw/zinc/98/19/98/656981998.db2.gz MYMVHULYKIPFEE-JDICNCQASA-N 1 2 278.316 -1.813 20 0 CAADLO O=C(Cn1ncnn1)N[C@@H]1[C@H]2C[N@H+](Cc3ccon3)C[C@H]21 ZINC000959902764 656990039 /nfs/dbraw/zinc/99/00/39/656990039.db2.gz RSNJVKKAALGXCX-IAZYJMLFSA-N 1 2 289.299 -1.092 20 0 CAADLO O=C(Cn1ncnn1)N[C@@H]1[C@H]2C[N@@H+](Cc3ccon3)C[C@H]21 ZINC000959902764 656990056 /nfs/dbraw/zinc/99/00/56/656990056.db2.gz RSNJVKKAALGXCX-IAZYJMLFSA-N 1 2 289.299 -1.092 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC(N)=O ZINC001017431622 656991234 /nfs/dbraw/zinc/99/12/34/656991234.db2.gz GXRYOBFBXRZFSW-BBBLOLIVSA-N 1 2 282.344 -1.329 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC(N)=O ZINC001017431622 656991243 /nfs/dbraw/zinc/99/12/43/656991243.db2.gz GXRYOBFBXRZFSW-BBBLOLIVSA-N 1 2 282.344 -1.329 20 0 CAADLO O=C(Cn1cc[nH+]c1)N1C[C@@H](NC(=O)C2CC2)[C@@H](O)C1 ZINC000961099264 657002076 /nfs/dbraw/zinc/00/20/76/657002076.db2.gz HFEDLJCJVNPTDD-MNOVXSKESA-N 1 2 278.312 -1.019 20 0 CAADLO NC(=O)C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ncccn3)C[C@H]21 ZINC000961638416 657008552 /nfs/dbraw/zinc/00/85/52/657008552.db2.gz MBTAOBLMPGYNGW-MBTKJCJQSA-N 1 2 261.285 -1.492 20 0 CAADLO NC(=O)C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ncccn3)C[C@H]21 ZINC000961638416 657008554 /nfs/dbraw/zinc/00/85/54/657008554.db2.gz MBTAOBLMPGYNGW-MBTKJCJQSA-N 1 2 261.285 -1.492 20 0 CAADLO Cc1ccnc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C(N)=O)n1 ZINC000961636141 657009026 /nfs/dbraw/zinc/00/90/26/657009026.db2.gz HLRIPZTYEBTEED-JZYVYDRUSA-N 1 2 275.312 -1.183 20 0 CAADLO Cc1ccnc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C(N)=O)n1 ZINC000961636141 657009031 /nfs/dbraw/zinc/00/90/31/657009031.db2.gz HLRIPZTYEBTEED-JZYVYDRUSA-N 1 2 275.312 -1.183 20 0 CAADLO Cn1[nH]c(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C(N)=O)nc1=O ZINC000961640274 657009043 /nfs/dbraw/zinc/00/90/43/657009043.db2.gz PDCPLVOAEWGKOG-BDINMYNLSA-N 1 2 280.288 -2.860 20 0 CAADLO Cn1[nH]c(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C(N)=O)nc1=O ZINC000961640274 657009047 /nfs/dbraw/zinc/00/90/47/657009047.db2.gz PDCPLVOAEWGKOG-BDINMYNLSA-N 1 2 280.288 -2.860 20 0 CAADLO Cc1nonc1C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(N)=O ZINC000961644597 657009583 /nfs/dbraw/zinc/00/95/83/657009583.db2.gz ZEHPDSGRCKVQKK-QMSLJYSESA-N 1 2 265.273 -1.590 20 0 CAADLO Cc1nonc1C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(N)=O ZINC000961644597 657009591 /nfs/dbraw/zinc/00/95/91/657009591.db2.gz ZEHPDSGRCKVQKK-QMSLJYSESA-N 1 2 265.273 -1.590 20 0 CAADLO C[C@H](c1nnnn1C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(N)=O ZINC000961646645 657009664 /nfs/dbraw/zinc/00/96/64/657009664.db2.gz JPRREWGEOOKFEK-NGJRWZKOSA-N 1 2 279.304 -2.197 20 0 CAADLO C[C@H](c1nnnn1C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(N)=O ZINC000961646645 657009671 /nfs/dbraw/zinc/00/96/71/657009671.db2.gz JPRREWGEOOKFEK-NGJRWZKOSA-N 1 2 279.304 -2.197 20 0 CAADLO Cc1nnc([C@H](C)[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C(N)=O)o1 ZINC000961654451 657010418 /nfs/dbraw/zinc/01/04/18/657010418.db2.gz DSFZYMVJFVFOOT-URJBTRRKSA-N 1 2 279.300 -1.029 20 0 CAADLO Cc1nnc([C@H](C)[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C(N)=O)o1 ZINC000961654451 657010423 /nfs/dbraw/zinc/01/04/23/657010423.db2.gz DSFZYMVJFVFOOT-URJBTRRKSA-N 1 2 279.300 -1.029 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1=NC(=O)N(C)C1 ZINC000961669880 657011131 /nfs/dbraw/zinc/01/11/31/657011131.db2.gz HMAOIOWWJBYSCA-QHOPCYEYSA-N 1 2 293.327 -1.341 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1=NC(=O)N(C)C1 ZINC000961669880 657011134 /nfs/dbraw/zinc/01/11/34/657011134.db2.gz HMAOIOWWJBYSCA-QHOPCYEYSA-N 1 2 293.327 -1.341 20 0 CAADLO Cc1noc([C@H](C)[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C(N)=O)n1 ZINC000961671603 657011150 /nfs/dbraw/zinc/01/11/50/657011150.db2.gz UALYMPBQOOROHX-URJBTRRKSA-N 1 2 279.300 -1.029 20 0 CAADLO Cc1noc([C@H](C)[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C(N)=O)n1 ZINC000961671603 657011159 /nfs/dbraw/zinc/01/11/59/657011159.db2.gz UALYMPBQOOROHX-URJBTRRKSA-N 1 2 279.300 -1.029 20 0 CAADLO NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1nnc[nH]1 ZINC000962087448 657015982 /nfs/dbraw/zinc/01/59/82/657015982.db2.gz RBBSRWJSSQORMU-BDINMYNLSA-N 1 2 250.262 -2.050 20 0 CAADLO NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1nnc[nH]1 ZINC000962087448 657015987 /nfs/dbraw/zinc/01/59/87/657015987.db2.gz RBBSRWJSSQORMU-BDINMYNLSA-N 1 2 250.262 -2.050 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1nnc[nH]1 ZINC000962250440 657017878 /nfs/dbraw/zinc/01/78/78/657017878.db2.gz JOOTYWRKFZRGDU-LITAXDCLSA-N 1 2 278.316 -1.733 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1nnc[nH]1 ZINC000962250440 657017881 /nfs/dbraw/zinc/01/78/81/657017881.db2.gz JOOTYWRKFZRGDU-LITAXDCLSA-N 1 2 278.316 -1.733 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1nnc[nH]1 ZINC000962250437 657017917 /nfs/dbraw/zinc/01/79/17/657017917.db2.gz JOOTYWRKFZRGDU-LEQIOUOKSA-N 1 2 278.316 -1.733 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1nnc[nH]1 ZINC000962250437 657017920 /nfs/dbraw/zinc/01/79/20/657017920.db2.gz JOOTYWRKFZRGDU-LEQIOUOKSA-N 1 2 278.316 -1.733 20 0 CAADLO O=C(Cn1cncn1)N[C@@H]1[C@H]2C[N@H+](Cc3cnon3)C[C@H]21 ZINC000962473497 657020644 /nfs/dbraw/zinc/02/06/44/657020644.db2.gz GHWJYEXJFFFDBA-IAZYJMLFSA-N 1 2 289.299 -1.092 20 0 CAADLO O=C(Cn1cncn1)N[C@@H]1[C@H]2C[N@@H+](Cc3cnon3)C[C@H]21 ZINC000962473497 657020649 /nfs/dbraw/zinc/02/06/49/657020649.db2.gz GHWJYEXJFFFDBA-IAZYJMLFSA-N 1 2 289.299 -1.092 20 0 CAADLO CNC(=O)C[N@@H+]1CCC[C@H](NC(=O)C2CN(C(C)=O)C2)C1 ZINC001007204839 657028680 /nfs/dbraw/zinc/02/86/80/657028680.db2.gz NRWMQDKLVBFZFS-LBPRGKRZSA-N 1 2 296.371 -1.209 20 0 CAADLO CNC(=O)C[N@H+]1CCC[C@H](NC(=O)C2CN(C(C)=O)C2)C1 ZINC001007204839 657028687 /nfs/dbraw/zinc/02/86/87/657028687.db2.gz NRWMQDKLVBFZFS-LBPRGKRZSA-N 1 2 296.371 -1.209 20 0 CAADLO C[C@@H]1CC[N@H+](CC(N)=O)C[C@@H]1NC(=O)CN1CCCC1=O ZINC000964971746 657030597 /nfs/dbraw/zinc/03/05/97/657030597.db2.gz YFGJAIGFQVEKKB-MNOVXSKESA-N 1 2 296.371 -1.079 20 0 CAADLO C[C@@H]1CC[N@@H+](CC(N)=O)C[C@@H]1NC(=O)CN1CCCC1=O ZINC000964971746 657030606 /nfs/dbraw/zinc/03/06/06/657030606.db2.gz YFGJAIGFQVEKKB-MNOVXSKESA-N 1 2 296.371 -1.079 20 0 CAADLO NC(=O)C(=O)N1CCC[C@@H](NC(=O)Cn2cc[nH+]c2)CC1 ZINC000964985872 657031040 /nfs/dbraw/zinc/03/10/40/657031040.db2.gz FGQYMDOAJXKQJY-SNVBAGLBSA-N 1 2 293.327 -1.134 20 0 CAADLO NC(=O)C(=O)N1CCC[C@H](NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000965126406 657031075 /nfs/dbraw/zinc/03/10/75/657031075.db2.gz CXOCZDFCHOHQLG-VIFPVBQESA-N 1 2 293.327 -1.065 20 0 CAADLO NC(=O)C(=O)N[C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000965160969 657032165 /nfs/dbraw/zinc/03/21/65/657032165.db2.gz SUCJZQJRBKYHGQ-VIFPVBQESA-N 1 2 293.327 -1.065 20 0 CAADLO NC(=O)C(=O)N1CCC[C@H](NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC000965234815 657032383 /nfs/dbraw/zinc/03/23/83/657032383.db2.gz ONPCZOVURLOVGL-VIFPVBQESA-N 1 2 293.327 -1.065 20 0 CAADLO NC(=O)C(=O)N[C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000965160968 657032534 /nfs/dbraw/zinc/03/25/34/657032534.db2.gz SUCJZQJRBKYHGQ-SECBINFHSA-N 1 2 293.327 -1.065 20 0 CAADLO C[C@@H]1CC[N@H+](CC(N)=O)C[C@H]1NC(=O)c1ncn(C)n1 ZINC000965996800 657035182 /nfs/dbraw/zinc/03/51/82/657035182.db2.gz SVDQMAHXTNAJJR-RKDXNWHRSA-N 1 2 280.332 -1.259 20 0 CAADLO C[C@@H]1CC[N@@H+](CC(N)=O)C[C@H]1NC(=O)c1ncn(C)n1 ZINC000965996800 657035191 /nfs/dbraw/zinc/03/51/91/657035191.db2.gz SVDQMAHXTNAJJR-RKDXNWHRSA-N 1 2 280.332 -1.259 20 0 CAADLO C[C@@H]1CC[N@H+](CC(N)=O)C[C@H]1NC(=O)c1cnnn1C ZINC000965979016 657035214 /nfs/dbraw/zinc/03/52/14/657035214.db2.gz AVMUZLQMTBSALC-RKDXNWHRSA-N 1 2 280.332 -1.259 20 0 CAADLO C[C@@H]1CC[N@@H+](CC(N)=O)C[C@H]1NC(=O)c1cnnn1C ZINC000965979016 657035226 /nfs/dbraw/zinc/03/52/26/657035226.db2.gz AVMUZLQMTBSALC-RKDXNWHRSA-N 1 2 280.332 -1.259 20 0 CAADLO C[C@H]1CC[N@H+](CC(N)=O)C[C@H]1NC(=O)c1cnn(C)c1N ZINC000965926308 657035917 /nfs/dbraw/zinc/03/59/17/657035917.db2.gz PSFWQIWARDTWIT-WCBMZHEXSA-N 1 2 294.359 -1.072 20 0 CAADLO C[C@H]1CC[N@@H+](CC(N)=O)C[C@H]1NC(=O)c1cnn(C)c1N ZINC000965926308 657035921 /nfs/dbraw/zinc/03/59/21/657035921.db2.gz PSFWQIWARDTWIT-WCBMZHEXSA-N 1 2 294.359 -1.072 20 0 CAADLO C[C@H]1CC[N@H+](CC(N)=O)C[C@@H]1NC(=O)CN1CN=NC1=O ZINC000965899080 657036211 /nfs/dbraw/zinc/03/62/11/657036211.db2.gz DRWOOUJUEWHGIK-IUCAKERBSA-N 1 2 296.331 -1.704 20 0 CAADLO C[C@H]1CC[N@@H+](CC(N)=O)C[C@@H]1NC(=O)CN1CN=NC1=O ZINC000965899080 657036214 /nfs/dbraw/zinc/03/62/14/657036214.db2.gz DRWOOUJUEWHGIK-IUCAKERBSA-N 1 2 296.331 -1.704 20 0 CAADLO C[C@H]1CN(C(=O)CC(N)=O)C[C@@H]1NC(=O)Cn1cc[nH+]c1 ZINC000966271107 657038248 /nfs/dbraw/zinc/03/82/48/657038248.db2.gz OLJPNSAEGFKGRQ-UWVGGRQHSA-N 1 2 293.327 -1.278 20 0 CAADLO C[C@H]1CN(C(=O)CC(N)=O)C[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC000966271109 657038644 /nfs/dbraw/zinc/03/86/44/657038644.db2.gz OLJPNSAEGFKGRQ-VHSXEESVSA-N 1 2 293.327 -1.278 20 0 CAADLO C[C@H]1CC[N@H+](CCO)C[C@@H]1NC(=O)C1CS(=O)(=O)C1 ZINC000966327559 657040066 /nfs/dbraw/zinc/04/00/66/657040066.db2.gz PZUSGEXBSRYTPD-ONGXEEELSA-N 1 2 290.385 -1.150 20 0 CAADLO C[C@H]1CC[N@@H+](CCO)C[C@@H]1NC(=O)C1CS(=O)(=O)C1 ZINC000966327559 657040068 /nfs/dbraw/zinc/04/00/68/657040068.db2.gz PZUSGEXBSRYTPD-ONGXEEELSA-N 1 2 290.385 -1.150 20 0 CAADLO C[C@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1NC(=O)C(N)=O ZINC000966633894 657042584 /nfs/dbraw/zinc/04/25/84/657042584.db2.gz FZFPDGAIRQUXTC-VHSXEESVSA-N 1 2 293.327 -1.278 20 0 CAADLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CN(C(=O)C(N)=O)C[C@@H]1C ZINC000966751058 657045243 /nfs/dbraw/zinc/04/52/43/657045243.db2.gz IWGALBPEBKBNPK-OIBJUYFYSA-N 1 2 293.327 -1.291 20 0 CAADLO Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CN(C(=O)C(N)=O)C[C@@H]1C ZINC000966751062 657045279 /nfs/dbraw/zinc/04/52/79/657045279.db2.gz IWGALBPEBKBNPK-XVKPBYJWSA-N 1 2 293.327 -1.291 20 0 CAADLO C[C@@H]1CN(C(=O)C(N)=O)C[C@@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC000966760887 657046046 /nfs/dbraw/zinc/04/60/46/657046046.db2.gz NGODZLNTEGUJBR-APPZFPTMSA-N 1 2 279.300 -1.599 20 0 CAADLO C[C@H]1CN(C(=O)C(N)=O)C[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC000966760169 657046325 /nfs/dbraw/zinc/04/63/25/657046325.db2.gz CVOFDHLLDSGAJT-DTWKUNHWSA-N 1 2 279.300 -1.669 20 0 CAADLO O=C(Cn1cnnn1)N1CC[C@@H]([NH2+]Cc2cnsn2)C1 ZINC000966890035 657047055 /nfs/dbraw/zinc/04/70/55/657047055.db2.gz YMEFHXWTHRMCDI-MRVPVSSYSA-N 1 2 294.344 -1.085 20 0 CAADLO CNC(=O)C[N@@H+]1CCC[C@H](NC(=O)c2cc(=O)n(C)o2)C1 ZINC001007216516 657047719 /nfs/dbraw/zinc/04/77/19/657047719.db2.gz QPLKHHPTMCWMIB-VIFPVBQESA-N 1 2 296.327 -1.082 20 0 CAADLO CNC(=O)C[N@H+]1CCC[C@H](NC(=O)c2cc(=O)n(C)o2)C1 ZINC001007216516 657047720 /nfs/dbraw/zinc/04/77/20/657047720.db2.gz QPLKHHPTMCWMIB-VIFPVBQESA-N 1 2 296.327 -1.082 20 0 CAADLO O=C(Cn1cnnn1)N1CC[C@@H]([NH2+]Cc2csnn2)C1 ZINC000966889835 657047799 /nfs/dbraw/zinc/04/77/99/657047799.db2.gz UCBHJNAROBCTMJ-MRVPVSSYSA-N 1 2 294.344 -1.085 20 0 CAADLO Cc1nnc(C[NH2+][C@@H]2CCN(C(=O)Cn3cnnn3)C2)o1 ZINC000966889999 657047885 /nfs/dbraw/zinc/04/78/85/657047885.db2.gz WYYASOSQQDNSHM-SECBINFHSA-N 1 2 292.303 -1.245 20 0 CAADLO Cn1nnnc1C[NH2+][C@@H]1CCN(C(=O)c2ccn[nH]2)C1 ZINC000967276864 657048479 /nfs/dbraw/zinc/04/84/79/657048479.db2.gz OGRWNCWAXXJPER-MRVPVSSYSA-N 1 2 276.304 -1.063 20 0 CAADLO CS(=O)(=O)CC(=O)N1CC[C@@H]([NH2+]Cc2cnon2)C1 ZINC000967429034 657048801 /nfs/dbraw/zinc/04/88/01/657048801.db2.gz PEYYFRRWPMAUFF-MRVPVSSYSA-N 1 2 288.329 -1.195 20 0 CAADLO C[C@@H]1CC[N@H+](CC(N)=O)C[C@@H]1NC(=O)c1c[nH]c(=O)cn1 ZINC000968079488 657050999 /nfs/dbraw/zinc/05/09/99/657050999.db2.gz NOFFIQMMAZUDLD-SCZZXKLOSA-N 1 2 293.327 -1.305 20 0 CAADLO C[C@@H]1CC[N@@H+](CC(N)=O)C[C@@H]1NC(=O)c1c[nH]c(=O)cn1 ZINC000968079488 657051001 /nfs/dbraw/zinc/05/10/01/657051001.db2.gz NOFFIQMMAZUDLD-SCZZXKLOSA-N 1 2 293.327 -1.305 20 0 CAADLO C[C@@H]1CC[N@H+](CC(=O)N2CCCC2)C[C@@H]1NC(=O)C(N)=O ZINC000968129653 657052035 /nfs/dbraw/zinc/05/20/35/657052035.db2.gz JJAFLICAHDULKK-MNOVXSKESA-N 1 2 296.371 -1.079 20 0 CAADLO C[C@@H]1CC[N@@H+](CC(=O)N2CCCC2)C[C@@H]1NC(=O)C(N)=O ZINC000968129653 657052039 /nfs/dbraw/zinc/05/20/39/657052039.db2.gz JJAFLICAHDULKK-MNOVXSKESA-N 1 2 296.371 -1.079 20 0 CAADLO C[C@@H]1CC[N@H+](CC(=O)N2CCC2)C[C@H]1NC(=O)C(N)=O ZINC000968133147 657052050 /nfs/dbraw/zinc/05/20/50/657052050.db2.gz SOCGLEPUIKNSBG-NXEZZACHSA-N 1 2 282.344 -1.469 20 0 CAADLO C[C@@H]1CC[N@@H+](CC(=O)N2CCC2)C[C@H]1NC(=O)C(N)=O ZINC000968133147 657052055 /nfs/dbraw/zinc/05/20/55/657052055.db2.gz SOCGLEPUIKNSBG-NXEZZACHSA-N 1 2 282.344 -1.469 20 0 CAADLO C[C@@H]1CC[N@H+](CC(=O)N(C)C)C[C@H]1NC(=O)C(N)=O ZINC000968132210 657052320 /nfs/dbraw/zinc/05/23/20/657052320.db2.gz PERSZBPUZKKRSQ-RKDXNWHRSA-N 1 2 270.333 -1.614 20 0 CAADLO C[C@@H]1CC[N@H+](CC(=O)N2CCC2)C[C@@H]1NC(=O)C(N)=O ZINC000968133151 657052266 /nfs/dbraw/zinc/05/22/66/657052266.db2.gz SOCGLEPUIKNSBG-ZJUUUORDSA-N 1 2 282.344 -1.469 20 0 CAADLO C[C@@H]1CC[N@@H+](CC(=O)N2CCC2)C[C@@H]1NC(=O)C(N)=O ZINC000968133151 657052271 /nfs/dbraw/zinc/05/22/71/657052271.db2.gz SOCGLEPUIKNSBG-ZJUUUORDSA-N 1 2 282.344 -1.469 20 0 CAADLO C[C@@H]1CC[N@@H+](CC(=O)N(C)C)C[C@H]1NC(=O)C(N)=O ZINC000968132210 657052323 /nfs/dbraw/zinc/05/23/23/657052323.db2.gz PERSZBPUZKKRSQ-RKDXNWHRSA-N 1 2 270.333 -1.614 20 0 CAADLO C[C@H]1CC[N@H+](CC(=O)N(C)C2CC2)C[C@H]1NC(=O)C(N)=O ZINC000968131900 657052506 /nfs/dbraw/zinc/05/25/06/657052506.db2.gz OXLGHMCEHRSKRM-GXSJLCMTSA-N 1 2 296.371 -1.081 20 0 CAADLO C[C@H]1CC[N@@H+](CC(=O)N(C)C2CC2)C[C@H]1NC(=O)C(N)=O ZINC000968131900 657052509 /nfs/dbraw/zinc/05/25/09/657052509.db2.gz OXLGHMCEHRSKRM-GXSJLCMTSA-N 1 2 296.371 -1.081 20 0 CAADLO NC(=O)CC(=O)N1C[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H](O)C1 ZINC000968456362 657052887 /nfs/dbraw/zinc/05/28/87/657052887.db2.gz MYWHPYDBNDRLTA-BDAKNGLRSA-N 1 2 295.299 -2.554 20 0 CAADLO O=C(Cn1cc[nH+]c1)N[C@@H]1CN(C(=O)C2CC2)C[C@@H]1O ZINC000968456335 657053351 /nfs/dbraw/zinc/05/33/51/657053351.db2.gz MCWNHMSXZNBMJO-MNOVXSKESA-N 1 2 278.312 -1.019 20 0 CAADLO C[C@H]1CC[N@H+](CC(N)=O)C[C@@H]1NC(=O)Cc1nc[nH]n1 ZINC000968520453 657054322 /nfs/dbraw/zinc/05/43/22/657054322.db2.gz IWXATTCFIBAUMH-IUCAKERBSA-N 1 2 280.332 -1.341 20 0 CAADLO C[C@H]1CC[N@@H+](CC(N)=O)C[C@@H]1NC(=O)Cc1nc[nH]n1 ZINC000968520453 657054328 /nfs/dbraw/zinc/05/43/28/657054328.db2.gz IWXATTCFIBAUMH-IUCAKERBSA-N 1 2 280.332 -1.341 20 0 CAADLO Cc1noc(C[NH2+][C@@H]2CCN(C(=O)Cn3ncnn3)C2)n1 ZINC000968673444 657056595 /nfs/dbraw/zinc/05/65/95/657056595.db2.gz WRGUJRZXMKINSC-SECBINFHSA-N 1 2 292.303 -1.245 20 0 CAADLO O=C(Cn1ncnn1)N1CC[C@@H]([NH2+]Cc2nncs2)C1 ZINC000968683545 657057493 /nfs/dbraw/zinc/05/74/93/657057493.db2.gz PYYUOBUNDBCOPW-MRVPVSSYSA-N 1 2 294.344 -1.085 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@H](NC(=O)CN2CCCC2=O)C1 ZINC001006704106 657061351 /nfs/dbraw/zinc/06/13/51/657061351.db2.gz JLDVOJNIHHKGNP-JTQLQIEISA-N 1 2 282.344 -1.325 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@H](NC(=O)CN2CCCC2=O)C1 ZINC001006704106 657061361 /nfs/dbraw/zinc/06/13/61/657061361.db2.gz JLDVOJNIHHKGNP-JTQLQIEISA-N 1 2 282.344 -1.325 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@H](NC(=O)Cn2cccn2)C1 ZINC001006743089 657061657 /nfs/dbraw/zinc/06/16/57/657061657.db2.gz ASKPVWXCGQJXKH-JTQLQIEISA-N 1 2 265.317 -1.051 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@H](NC(=O)Cn2cccn2)C1 ZINC001006743089 657061666 /nfs/dbraw/zinc/06/16/66/657061666.db2.gz ASKPVWXCGQJXKH-JTQLQIEISA-N 1 2 265.317 -1.051 20 0 CAADLO CNC(=O)CN1CCC[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001007005400 657062072 /nfs/dbraw/zinc/06/20/72/657062072.db2.gz XHARHUVQKHRQAB-VXGBXAGGSA-N 1 2 298.387 -1.356 20 0 CAADLO CNC(=O)CN1CCC[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001007005400 657062073 /nfs/dbraw/zinc/06/20/73/657062073.db2.gz XHARHUVQKHRQAB-VXGBXAGGSA-N 1 2 298.387 -1.356 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@@H](NC(=O)CN2CCOCC2)C1 ZINC001007115965 657062115 /nfs/dbraw/zinc/06/21/15/657062115.db2.gz HCGIYSVHCORJNA-LLVKDONJSA-N 1 2 284.360 -1.616 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@@H](NC(=O)CN2CCOCC2)C1 ZINC001007115965 657062118 /nfs/dbraw/zinc/06/21/18/657062118.db2.gz HCGIYSVHCORJNA-LLVKDONJSA-N 1 2 284.360 -1.616 20 0 CAADLO Cn1cc(C(=O)N[C@@H]2CCC[N@@H+]([C@@H]3CCNC3=O)C2)nn1 ZINC001007253721 657062566 /nfs/dbraw/zinc/06/25/66/657062566.db2.gz BFEUCCUZLUQUNK-MWLCHTKSSA-N 1 2 292.343 -1.102 20 0 CAADLO Cn1cc(C(=O)N[C@@H]2CCC[N@H+]([C@@H]3CCNC3=O)C2)nn1 ZINC001007253721 657062569 /nfs/dbraw/zinc/06/25/69/657062569.db2.gz BFEUCCUZLUQUNK-MWLCHTKSSA-N 1 2 292.343 -1.102 20 0 CAADLO CNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)c2cn(C)nn2)C1 ZINC001007257563 657062644 /nfs/dbraw/zinc/06/26/44/657062644.db2.gz GUILDQQSPRVPII-SECBINFHSA-N 1 2 280.332 -1.245 20 0 CAADLO CNC(=O)C[N@H+]1CCC[C@@H](NC(=O)c2cn(C)nn2)C1 ZINC001007257563 657062647 /nfs/dbraw/zinc/06/26/47/657062647.db2.gz GUILDQQSPRVPII-SECBINFHSA-N 1 2 280.332 -1.245 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@H](NC(=O)Cn2ncnn2)C1 ZINC001007346072 657062651 /nfs/dbraw/zinc/06/26/51/657062651.db2.gz SPOAFDJDLHCFRU-QMMMGPOBSA-N 1 2 267.293 -2.261 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@H](NC(=O)Cn2ncnn2)C1 ZINC001007346072 657062655 /nfs/dbraw/zinc/06/26/55/657062655.db2.gz SPOAFDJDLHCFRU-QMMMGPOBSA-N 1 2 267.293 -2.261 20 0 CAADLO CNC(=O)C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2COC(=O)N2)C1 ZINC001007256992 657062769 /nfs/dbraw/zinc/06/27/69/657062769.db2.gz FLPGZANGNNTLRS-IUCAKERBSA-N 1 2 284.316 -1.579 20 0 CAADLO CNC(=O)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2COC(=O)N2)C1 ZINC001007256992 657062773 /nfs/dbraw/zinc/06/27/73/657062773.db2.gz FLPGZANGNNTLRS-IUCAKERBSA-N 1 2 284.316 -1.579 20 0 CAADLO Cn1nncc1C(=O)N[C@H]1CCC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001007240829 657062807 /nfs/dbraw/zinc/06/28/07/657062807.db2.gz CZIGZDMCDACGRF-VHSXEESVSA-N 1 2 292.343 -1.102 20 0 CAADLO Cn1nncc1C(=O)N[C@H]1CCC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001007240829 657062808 /nfs/dbraw/zinc/06/28/08/657062808.db2.gz CZIGZDMCDACGRF-VHSXEESVSA-N 1 2 292.343 -1.102 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CCC[C@H](NC(=O)c2cn(C)nn2)C1 ZINC001007265294 657062866 /nfs/dbraw/zinc/06/28/66/657062866.db2.gz AQSSHTIJJRWPEP-BDAKNGLRSA-N 1 2 280.332 -1.117 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CCC[C@H](NC(=O)c2cn(C)nn2)C1 ZINC001007265294 657062872 /nfs/dbraw/zinc/06/28/72/657062872.db2.gz AQSSHTIJJRWPEP-BDAKNGLRSA-N 1 2 280.332 -1.117 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CCC[C@H](NC(=O)Cn2ncnn2)C1 ZINC001007344302 657062985 /nfs/dbraw/zinc/06/29/85/657062985.db2.gz OQFYJICVXRAMEO-BDAKNGLRSA-N 1 2 281.320 -1.873 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CCC[C@H](NC(=O)Cn2ncnn2)C1 ZINC001007344302 657062989 /nfs/dbraw/zinc/06/29/89/657062989.db2.gz OQFYJICVXRAMEO-BDAKNGLRSA-N 1 2 281.320 -1.873 20 0 CAADLO CNC(=O)C[N@@H+]1CCC[C@H](NC(=O)c2cn(C)nn2)C1 ZINC001007257565 657063138 /nfs/dbraw/zinc/06/31/38/657063138.db2.gz GUILDQQSPRVPII-VIFPVBQESA-N 1 2 280.332 -1.245 20 0 CAADLO CNC(=O)C[N@H+]1CCC[C@H](NC(=O)c2cn(C)nn2)C1 ZINC001007257565 657063140 /nfs/dbraw/zinc/06/31/40/657063140.db2.gz GUILDQQSPRVPII-VIFPVBQESA-N 1 2 280.332 -1.245 20 0 CAADLO Cn1cc(C(=O)N[C@@H]2CCC[N@@H+]([C@H]3CCNC3=O)C2)nn1 ZINC001007253720 657063146 /nfs/dbraw/zinc/06/31/46/657063146.db2.gz BFEUCCUZLUQUNK-KOLCDFICSA-N 1 2 292.343 -1.102 20 0 CAADLO Cn1cc(C(=O)N[C@@H]2CCC[N@H+]([C@H]3CCNC3=O)C2)nn1 ZINC001007253720 657063150 /nfs/dbraw/zinc/06/31/50/657063150.db2.gz BFEUCCUZLUQUNK-KOLCDFICSA-N 1 2 292.343 -1.102 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@@H](NC(=O)CN2CN=NC2=O)C1 ZINC001007161036 657063266 /nfs/dbraw/zinc/06/32/66/657063266.db2.gz MOUCJNSYAUVFAI-MRVPVSSYSA-N 1 2 282.304 -1.950 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@@H](NC(=O)CN2CN=NC2=O)C1 ZINC001007161036 657063270 /nfs/dbraw/zinc/06/32/70/657063270.db2.gz MOUCJNSYAUVFAI-MRVPVSSYSA-N 1 2 282.304 -1.950 20 0 CAADLO CNC(=O)C[N@@H+]1CCC[C@H](NC(=O)[C@H]2COC(=O)N2)C1 ZINC001007256989 657063355 /nfs/dbraw/zinc/06/33/55/657063355.db2.gz FLPGZANGNNTLRS-DTWKUNHWSA-N 1 2 284.316 -1.579 20 0 CAADLO CNC(=O)C[N@H+]1CCC[C@H](NC(=O)[C@H]2COC(=O)N2)C1 ZINC001007256989 657063359 /nfs/dbraw/zinc/06/33/59/657063359.db2.gz FLPGZANGNNTLRS-DTWKUNHWSA-N 1 2 284.316 -1.579 20 0 CAADLO Cn1cc(C(=O)N[C@H]2CCC[N@@H+]([C@H]3CCNC3=O)C2)nn1 ZINC001007253723 657063426 /nfs/dbraw/zinc/06/34/26/657063426.db2.gz BFEUCCUZLUQUNK-ONGXEEELSA-N 1 2 292.343 -1.102 20 0 CAADLO Cn1cc(C(=O)N[C@H]2CCC[N@H+]([C@H]3CCNC3=O)C2)nn1 ZINC001007253723 657063433 /nfs/dbraw/zinc/06/34/33/657063433.db2.gz BFEUCCUZLUQUNK-ONGXEEELSA-N 1 2 292.343 -1.102 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CCC[C@H](NC(=O)Cn2ncnn2)C1 ZINC001007344304 657063439 /nfs/dbraw/zinc/06/34/39/657063439.db2.gz OQFYJICVXRAMEO-IUCAKERBSA-N 1 2 281.320 -1.873 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CCC[C@H](NC(=O)Cn2ncnn2)C1 ZINC001007344304 657063445 /nfs/dbraw/zinc/06/34/45/657063445.db2.gz OQFYJICVXRAMEO-IUCAKERBSA-N 1 2 281.320 -1.873 20 0 CAADLO Cn1oc(C(=O)N[C@H]2CCC[N@H+](CC(N)=O)C2)cc1=O ZINC001007214413 657063507 /nfs/dbraw/zinc/06/35/07/657063507.db2.gz JKZPVSCTUUUKEO-QMMMGPOBSA-N 1 2 282.300 -1.342 20 0 CAADLO Cn1oc(C(=O)N[C@H]2CCC[N@@H+](CC(N)=O)C2)cc1=O ZINC001007214413 657063509 /nfs/dbraw/zinc/06/35/09/657063509.db2.gz JKZPVSCTUUUKEO-QMMMGPOBSA-N 1 2 282.300 -1.342 20 0 CAADLO Cn1ncc(C(=O)N[C@@H]2CCC[N@H+](CC(N)=O)C2)c1N ZINC001007173661 657063519 /nfs/dbraw/zinc/06/35/19/657063519.db2.gz MIJHAGATPCHHDO-MRVPVSSYSA-N 1 2 280.332 -1.318 20 0 CAADLO Cn1ncc(C(=O)N[C@@H]2CCC[N@@H+](CC(N)=O)C2)c1N ZINC001007173661 657063524 /nfs/dbraw/zinc/06/35/24/657063524.db2.gz MIJHAGATPCHHDO-MRVPVSSYSA-N 1 2 280.332 -1.318 20 0 CAADLO CNC(=O)C[N@@H+]1CCC[C@H](NC(=O)c2cnn(C)c2N)C1 ZINC001007173568 657063550 /nfs/dbraw/zinc/06/35/50/657063550.db2.gz LQROEDZZSVQAIB-VIFPVBQESA-N 1 2 294.359 -1.058 20 0 CAADLO CNC(=O)C[N@H+]1CCC[C@H](NC(=O)c2cnn(C)c2N)C1 ZINC001007173568 657063554 /nfs/dbraw/zinc/06/35/54/657063554.db2.gz LQROEDZZSVQAIB-VIFPVBQESA-N 1 2 294.359 -1.058 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CCC[C@@H](NC(=O)Cn2nccn2)C1 ZINC001007419346 657064073 /nfs/dbraw/zinc/06/40/73/657064073.db2.gz GYXBBYWPLIEXLK-VHSXEESVSA-N 1 2 280.332 -1.268 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CCC[C@@H](NC(=O)Cn2nccn2)C1 ZINC001007419346 657064077 /nfs/dbraw/zinc/06/40/77/657064077.db2.gz GYXBBYWPLIEXLK-VHSXEESVSA-N 1 2 280.332 -1.268 20 0 CAADLO CCN1C[C@H](C(=O)N[C@@H]2CCC[N@H+](CC(N)=O)C2)CC1=O ZINC001007458604 657064115 /nfs/dbraw/zinc/06/41/15/657064115.db2.gz CTYRZWXACOWHFF-GHMZBOCLSA-N 1 2 296.371 -1.079 20 0 CAADLO CCN1C[C@H](C(=O)N[C@@H]2CCC[N@@H+](CC(N)=O)C2)CC1=O ZINC001007458604 657064127 /nfs/dbraw/zinc/06/41/27/657064127.db2.gz CTYRZWXACOWHFF-GHMZBOCLSA-N 1 2 296.371 -1.079 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@H](NC(=O)C[C@@H]2CCC(=O)NC2)C1 ZINC001007495513 657064158 /nfs/dbraw/zinc/06/41/58/657064158.db2.gz KMSIOHJBKNMDSI-QWRGUYRKSA-N 1 2 296.371 -1.031 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@H](NC(=O)C[C@@H]2CCC(=O)NC2)C1 ZINC001007495513 657064162 /nfs/dbraw/zinc/06/41/62/657064162.db2.gz KMSIOHJBKNMDSI-QWRGUYRKSA-N 1 2 296.371 -1.031 20 0 CAADLO CNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)Cn2nccn2)C1 ZINC001007425420 657064265 /nfs/dbraw/zinc/06/42/65/657064265.db2.gz VRCMOTGWIFXXRZ-SNVBAGLBSA-N 1 2 280.332 -1.395 20 0 CAADLO CNC(=O)C[N@H+]1CCC[C@@H](NC(=O)Cn2nccn2)C1 ZINC001007425420 657064268 /nfs/dbraw/zinc/06/42/68/657064268.db2.gz VRCMOTGWIFXXRZ-SNVBAGLBSA-N 1 2 280.332 -1.395 20 0 CAADLO CN1C[C@H](C(=O)N[C@H]2CCC[N@H+](CC(N)=O)C2)CC1=O ZINC001007453217 657064282 /nfs/dbraw/zinc/06/42/82/657064282.db2.gz QNPNQCQWLXJIGF-ZJUUUORDSA-N 1 2 282.344 -1.469 20 0 CAADLO CN1C[C@H](C(=O)N[C@H]2CCC[N@@H+](CC(N)=O)C2)CC1=O ZINC001007453217 657064287 /nfs/dbraw/zinc/06/42/87/657064287.db2.gz QNPNQCQWLXJIGF-ZJUUUORDSA-N 1 2 282.344 -1.469 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CCC[C@@H](NC(=O)Cn2nccn2)C1 ZINC001007419341 657064347 /nfs/dbraw/zinc/06/43/47/657064347.db2.gz GYXBBYWPLIEXLK-NXEZZACHSA-N 1 2 280.332 -1.268 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CCC[C@@H](NC(=O)Cn2nccn2)C1 ZINC001007419341 657064350 /nfs/dbraw/zinc/06/43/50/657064350.db2.gz GYXBBYWPLIEXLK-NXEZZACHSA-N 1 2 280.332 -1.268 20 0 CAADLO CNC(=O)C[N@@H+]1CCC[C@H](NC(=O)C[C@H]2CCNC2=O)C1 ZINC001007490174 657064425 /nfs/dbraw/zinc/06/44/25/657064425.db2.gz ZQRQANFZSPOUAT-MNOVXSKESA-N 1 2 296.371 -1.161 20 0 CAADLO CNC(=O)C[N@H+]1CCC[C@H](NC(=O)C[C@H]2CCNC2=O)C1 ZINC001007490174 657064431 /nfs/dbraw/zinc/06/44/31/657064431.db2.gz ZQRQANFZSPOUAT-MNOVXSKESA-N 1 2 296.371 -1.161 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@@H](NC(=O)Cn2nccn2)C1 ZINC001007422541 657064724 /nfs/dbraw/zinc/06/47/24/657064724.db2.gz FMCKIYKLIPBZAG-SECBINFHSA-N 1 2 266.305 -1.656 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@@H](NC(=O)Cn2nccn2)C1 ZINC001007422541 657064729 /nfs/dbraw/zinc/06/47/29/657064729.db2.gz FMCKIYKLIPBZAG-SECBINFHSA-N 1 2 266.305 -1.656 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@H](NC(=O)C[C@@H]2CCNC2=O)C1 ZINC001007489567 657064740 /nfs/dbraw/zinc/06/47/40/657064740.db2.gz TUKGOZXXWSCDRM-UWVGGRQHSA-N 1 2 282.344 -1.422 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@H](NC(=O)C[C@@H]2CCNC2=O)C1 ZINC001007489567 657064745 /nfs/dbraw/zinc/06/47/45/657064745.db2.gz TUKGOZXXWSCDRM-UWVGGRQHSA-N 1 2 282.344 -1.422 20 0 CAADLO CNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)C[C@@H]2CCNC2=O)C1 ZINC001007490177 657064755 /nfs/dbraw/zinc/06/47/55/657064755.db2.gz ZQRQANFZSPOUAT-WDEREUQCSA-N 1 2 296.371 -1.161 20 0 CAADLO CNC(=O)C[N@H+]1CCC[C@@H](NC(=O)C[C@@H]2CCNC2=O)C1 ZINC001007490177 657064759 /nfs/dbraw/zinc/06/47/59/657064759.db2.gz ZQRQANFZSPOUAT-WDEREUQCSA-N 1 2 296.371 -1.161 20 0 CAADLO CNC(=O)C[N@@H+]1CCC[C@H](NC(=O)Cn2nccn2)C1 ZINC001007425419 657064770 /nfs/dbraw/zinc/06/47/70/657064770.db2.gz VRCMOTGWIFXXRZ-JTQLQIEISA-N 1 2 280.332 -1.395 20 0 CAADLO CNC(=O)C[N@H+]1CCC[C@H](NC(=O)Cn2nccn2)C1 ZINC001007425419 657064774 /nfs/dbraw/zinc/06/47/74/657064774.db2.gz VRCMOTGWIFXXRZ-JTQLQIEISA-N 1 2 280.332 -1.395 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@@H](NC(=O)C[C@@H]2CCC(=O)NC2)C1 ZINC001007495515 657064784 /nfs/dbraw/zinc/06/47/84/657064784.db2.gz KMSIOHJBKNMDSI-WDEREUQCSA-N 1 2 296.371 -1.031 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@@H](NC(=O)C[C@@H]2CCC(=O)NC2)C1 ZINC001007495515 657064789 /nfs/dbraw/zinc/06/47/89/657064789.db2.gz KMSIOHJBKNMDSI-WDEREUQCSA-N 1 2 296.371 -1.031 20 0 CAADLO CN1C[C@@H](C(=O)N[C@@H]2CCC[N@H+](CC(N)=O)C2)CC1=O ZINC001007453216 657064798 /nfs/dbraw/zinc/06/47/98/657064798.db2.gz QNPNQCQWLXJIGF-VHSXEESVSA-N 1 2 282.344 -1.469 20 0 CAADLO CN1C[C@@H](C(=O)N[C@@H]2CCC[N@@H+](CC(N)=O)C2)CC1=O ZINC001007453216 657064802 /nfs/dbraw/zinc/06/48/02/657064802.db2.gz QNPNQCQWLXJIGF-VHSXEESVSA-N 1 2 282.344 -1.469 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@H](NC(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001007521974 657065433 /nfs/dbraw/zinc/06/54/33/657065433.db2.gz KLKWEDIMCZJQDB-YUMQZZPRSA-N 1 2 297.315 -2.350 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@H](NC(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001007521974 657065436 /nfs/dbraw/zinc/06/54/36/657065436.db2.gz KLKWEDIMCZJQDB-YUMQZZPRSA-N 1 2 297.315 -2.350 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@@H](NC(=O)c2cn[nH]c(=O)c2)C1 ZINC001007547974 657065472 /nfs/dbraw/zinc/06/54/72/657065472.db2.gz RQXOHZUPSASHJB-SECBINFHSA-N 1 2 279.300 -1.138 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@@H](NC(=O)c2cn[nH]c(=O)c2)C1 ZINC001007547974 657065475 /nfs/dbraw/zinc/06/54/75/657065475.db2.gz RQXOHZUPSASHJB-SECBINFHSA-N 1 2 279.300 -1.138 20 0 CAADLO C[C@@H]1OCCO[C@@H]1C(=O)N[C@@H]1CCC[N@H+](CC(N)=O)C1 ZINC001007524302 657065702 /nfs/dbraw/zinc/06/57/02/657065702.db2.gz HGZCYVYQKABFGN-UMNHJUIQSA-N 1 2 285.344 -1.144 20 0 CAADLO C[C@@H]1OCCO[C@@H]1C(=O)N[C@@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001007524302 657065706 /nfs/dbraw/zinc/06/57/06/657065706.db2.gz HGZCYVYQKABFGN-UMNHJUIQSA-N 1 2 285.344 -1.144 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCCNC2=O)C1 ZINC001007536555 657065960 /nfs/dbraw/zinc/06/59/60/657065960.db2.gz YJWXAZQUXITOIT-ZJUUUORDSA-N 1 2 282.344 -1.422 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCCNC2=O)C1 ZINC001007536555 657065964 /nfs/dbraw/zinc/06/59/64/657065964.db2.gz YJWXAZQUXITOIT-ZJUUUORDSA-N 1 2 282.344 -1.422 20 0 CAADLO CNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCCNC2=O)C1 ZINC001007532011 657065970 /nfs/dbraw/zinc/06/59/70/657065970.db2.gz ONKJQFBMQIKUEE-MNOVXSKESA-N 1 2 296.371 -1.161 20 0 CAADLO CNC(=O)C[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCCNC2=O)C1 ZINC001007532011 657065971 /nfs/dbraw/zinc/06/59/71/657065971.db2.gz ONKJQFBMQIKUEE-MNOVXSKESA-N 1 2 296.371 -1.161 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCC(=O)NC2)C1 ZINC001007737123 657066681 /nfs/dbraw/zinc/06/66/81/657066681.db2.gz JJCLQRPGTDUDDL-UWVGGRQHSA-N 1 2 282.344 -1.422 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@H](NC(=O)[C@H]2CCC(=O)NC2)C1 ZINC001007737123 657066685 /nfs/dbraw/zinc/06/66/85/657066685.db2.gz JJCLQRPGTDUDDL-UWVGGRQHSA-N 1 2 282.344 -1.422 20 0 CAADLO CCN1CCOC[C@@H]1C(=O)N[C@@H]1CCC[N@H+](CC(N)=O)C1 ZINC001007704817 657066761 /nfs/dbraw/zinc/06/67/61/657066761.db2.gz KGCSSCAQGXVQNB-VXGBXAGGSA-N 1 2 298.387 -1.227 20 0 CAADLO CCN1CCOC[C@@H]1C(=O)N[C@@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001007704817 657066768 /nfs/dbraw/zinc/06/67/68/657066768.db2.gz KGCSSCAQGXVQNB-VXGBXAGGSA-N 1 2 298.387 -1.227 20 0 CAADLO O=C(CC1CS(=O)(=O)C1)N[C@H]1CCC[N@@H+](CCO)C1 ZINC001007698423 657067427 /nfs/dbraw/zinc/06/74/27/657067427.db2.gz HWIDCBCCKBGNHA-NSHDSACASA-N 1 2 290.385 -1.006 20 0 CAADLO O=C(CC1CS(=O)(=O)C1)N[C@H]1CCC[N@H+](CCO)C1 ZINC001007698423 657067431 /nfs/dbraw/zinc/06/74/31/657067431.db2.gz HWIDCBCCKBGNHA-NSHDSACASA-N 1 2 290.385 -1.006 20 0 CAADLO CCn1cc(CC(=O)N[C@@H]2CCC[N@H+](CC(N)=O)C2)nn1 ZINC001008022543 657068139 /nfs/dbraw/zinc/06/81/39/657068139.db2.gz DRPGAEKFCVVOCR-SNVBAGLBSA-N 1 2 294.359 -1.094 20 0 CAADLO CCn1cc(CC(=O)N[C@@H]2CCC[N@@H+](CC(N)=O)C2)nn1 ZINC001008022543 657068145 /nfs/dbraw/zinc/06/81/45/657068145.db2.gz DRPGAEKFCVVOCR-SNVBAGLBSA-N 1 2 294.359 -1.094 20 0 CAADLO CNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCNC2=O)C1 ZINC001008167954 657068231 /nfs/dbraw/zinc/06/82/31/657068231.db2.gz BBMSTNLENHPEQO-NXEZZACHSA-N 1 2 282.344 -1.551 20 0 CAADLO CNC(=O)C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCNC2=O)C1 ZINC001008167954 657068235 /nfs/dbraw/zinc/06/82/35/657068235.db2.gz BBMSTNLENHPEQO-NXEZZACHSA-N 1 2 282.344 -1.551 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCNC(=O)CC2)C1 ZINC001008079052 657068507 /nfs/dbraw/zinc/06/85/07/657068507.db2.gz UVIHEBNLDROISC-WDEREUQCSA-N 1 2 296.371 -1.031 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCNC(=O)CC2)C1 ZINC001008079052 657068510 /nfs/dbraw/zinc/06/85/10/657068510.db2.gz UVIHEBNLDROISC-WDEREUQCSA-N 1 2 296.371 -1.031 20 0 CAADLO C[C@]1(C(=O)N[C@H]2CCC[N@H+](CC(N)=O)C2)CNC(=O)C1 ZINC001008035416 657068605 /nfs/dbraw/zinc/06/86/05/657068605.db2.gz KRRDKKQPWYVHKC-TVQRCGJNSA-N 1 2 282.344 -1.422 20 0 CAADLO C[C@]1(C(=O)N[C@H]2CCC[N@@H+](CC(N)=O)C2)CNC(=O)C1 ZINC001008035416 657068608 /nfs/dbraw/zinc/06/86/08/657068608.db2.gz KRRDKKQPWYVHKC-TVQRCGJNSA-N 1 2 282.344 -1.422 20 0 CAADLO CNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCNC2=O)C1 ZINC001008173548 657068628 /nfs/dbraw/zinc/06/86/28/657068628.db2.gz BBMSTNLENHPEQO-ZJUUUORDSA-N 1 2 282.344 -1.551 20 0 CAADLO CNC(=O)C[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCNC2=O)C1 ZINC001008173548 657068633 /nfs/dbraw/zinc/06/86/33/657068633.db2.gz BBMSTNLENHPEQO-ZJUUUORDSA-N 1 2 282.344 -1.551 20 0 CAADLO C[C@]1(C(=O)N[C@@H]2CCC[N@H+](CC(N)=O)C2)CNC(=O)C1 ZINC001008035414 657068746 /nfs/dbraw/zinc/06/87/46/657068746.db2.gz KRRDKKQPWYVHKC-NOZJJQNGSA-N 1 2 282.344 -1.422 20 0 CAADLO C[C@]1(C(=O)N[C@@H]2CCC[N@@H+](CC(N)=O)C2)CNC(=O)C1 ZINC001008035414 657068750 /nfs/dbraw/zinc/06/87/50/657068750.db2.gz KRRDKKQPWYVHKC-NOZJJQNGSA-N 1 2 282.344 -1.422 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCNC(=O)CC2)C1 ZINC001008079050 657068808 /nfs/dbraw/zinc/06/88/08/657068808.db2.gz UVIHEBNLDROISC-QWRGUYRKSA-N 1 2 296.371 -1.031 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCNC(=O)CC2)C1 ZINC001008079050 657068811 /nfs/dbraw/zinc/06/88/11/657068811.db2.gz UVIHEBNLDROISC-QWRGUYRKSA-N 1 2 296.371 -1.031 20 0 CAADLO Cn1cc(C(=O)N[C@@H]2CCC[N@H+](CC(N)=O)C2)ncc1=O ZINC001007983919 657069002 /nfs/dbraw/zinc/06/90/02/657069002.db2.gz OFURFJKXDIBQKW-SECBINFHSA-N 1 2 293.327 -1.540 20 0 CAADLO Cn1cc(C(=O)N[C@@H]2CCC[N@@H+](CC(N)=O)C2)ncc1=O ZINC001007983919 657069007 /nfs/dbraw/zinc/06/90/07/657069007.db2.gz OFURFJKXDIBQKW-SECBINFHSA-N 1 2 293.327 -1.540 20 0 CAADLO CNC(=O)C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC001008176337 657069464 /nfs/dbraw/zinc/06/94/64/657069464.db2.gz LXLNQJRMFZOLOI-UWVGGRQHSA-N 1 2 297.359 -1.663 20 0 CAADLO CNC(=O)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC001008176337 657069466 /nfs/dbraw/zinc/06/94/66/657069466.db2.gz LXLNQJRMFZOLOI-UWVGGRQHSA-N 1 2 297.359 -1.663 20 0 CAADLO CC[C@@H](C(N)=O)[N@@H+]1CCC[C@H](NC(=O)c2nnn(C)n2)C1 ZINC001008232001 657069517 /nfs/dbraw/zinc/06/95/17/657069517.db2.gz QRGRUVNNRIWJDR-IUCAKERBSA-N 1 2 295.347 -1.332 20 0 CAADLO CC[C@@H](C(N)=O)[N@H+]1CCC[C@H](NC(=O)c2nnn(C)n2)C1 ZINC001008232001 657069519 /nfs/dbraw/zinc/06/95/19/657069519.db2.gz QRGRUVNNRIWJDR-IUCAKERBSA-N 1 2 295.347 -1.332 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCNC2=O)C1 ZINC001008175583 657069549 /nfs/dbraw/zinc/06/95/49/657069549.db2.gz GRWMANCTBVWEOT-RKDXNWHRSA-N 1 2 268.317 -1.812 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCNC2=O)C1 ZINC001008175583 657069555 /nfs/dbraw/zinc/06/95/55/657069555.db2.gz GRWMANCTBVWEOT-RKDXNWHRSA-N 1 2 268.317 -1.812 20 0 CAADLO CC1(C)CN(C(=O)C(N)=O)C[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001008288250 657069583 /nfs/dbraw/zinc/06/95/83/657069583.db2.gz IPUORHNQBBBVAU-SECBINFHSA-N 1 2 293.327 -1.278 20 0 CAADLO CNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCC(=O)N2C)C1 ZINC001008274416 657069599 /nfs/dbraw/zinc/06/95/99/657069599.db2.gz DNEFRKUTXVUAAP-GHMZBOCLSA-N 1 2 296.371 -1.066 20 0 CAADLO CNC(=O)C[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCC(=O)N2C)C1 ZINC001008274416 657069603 /nfs/dbraw/zinc/06/96/03/657069603.db2.gz DNEFRKUTXVUAAP-GHMZBOCLSA-N 1 2 296.371 -1.066 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+]1CCC[C@H](NC(=O)c2nnn(C)n2)C1 ZINC001008216158 657069640 /nfs/dbraw/zinc/06/96/40/657069640.db2.gz VLILDLHHZBSCLK-IUCAKERBSA-N 1 2 295.347 -1.461 20 0 CAADLO CNC(=O)[C@H](C)[N@H+]1CCC[C@H](NC(=O)c2nnn(C)n2)C1 ZINC001008216158 657069644 /nfs/dbraw/zinc/06/96/44/657069644.db2.gz VLILDLHHZBSCLK-IUCAKERBSA-N 1 2 295.347 -1.461 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](NC(=O)c2nnn(C)n2)C1 ZINC001008216160 657069666 /nfs/dbraw/zinc/06/96/66/657069666.db2.gz VLILDLHHZBSCLK-RKDXNWHRSA-N 1 2 295.347 -1.461 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](NC(=O)c2nnn(C)n2)C1 ZINC001008216160 657069669 /nfs/dbraw/zinc/06/96/69/657069669.db2.gz VLILDLHHZBSCLK-RKDXNWHRSA-N 1 2 295.347 -1.461 20 0 CAADLO CN1C(=O)CC[C@@H]1C(=O)N[C@@H]1CCC[N@H+](CC(N)=O)C1 ZINC001008275384 657069703 /nfs/dbraw/zinc/06/97/03/657069703.db2.gz KRJXZMNJSHHSCS-NXEZZACHSA-N 1 2 282.344 -1.327 20 0 CAADLO CN1C(=O)CC[C@@H]1C(=O)N[C@@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001008275384 657069706 /nfs/dbraw/zinc/06/97/06/657069706.db2.gz KRJXZMNJSHHSCS-NXEZZACHSA-N 1 2 282.344 -1.327 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@@H](NC(=O)CN2CCNC(=O)C2)C1 ZINC001008180667 657069993 /nfs/dbraw/zinc/06/99/93/657069993.db2.gz BOHVZCLKMLRWKM-SNVBAGLBSA-N 1 2 297.359 -2.516 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@@H](NC(=O)CN2CCNC(=O)C2)C1 ZINC001008180667 657069997 /nfs/dbraw/zinc/06/99/97/657069997.db2.gz BOHVZCLKMLRWKM-SNVBAGLBSA-N 1 2 297.359 -2.516 20 0 CAADLO CN1C[C@@H](C(=O)N[C@@H]2CCC[N@H+](CC(N)=O)C2)NC1=O ZINC001008186777 657070184 /nfs/dbraw/zinc/07/01/84/657070184.db2.gz BVACTXZHMPEQCW-BDAKNGLRSA-N 1 2 283.332 -1.924 20 0 CAADLO CN1C[C@@H](C(=O)N[C@@H]2CCC[N@@H+](CC(N)=O)C2)NC1=O ZINC001008186777 657070190 /nfs/dbraw/zinc/07/01/90/657070190.db2.gz BVACTXZHMPEQCW-BDAKNGLRSA-N 1 2 283.332 -1.924 20 0 CAADLO CN1C[C@@H](C(=O)N[C@H]2CCC[N@H+](CC(N)=O)C2)NC1=O ZINC001008186799 657070211 /nfs/dbraw/zinc/07/02/11/657070211.db2.gz BVACTXZHMPEQCW-IUCAKERBSA-N 1 2 283.332 -1.924 20 0 CAADLO CN1C[C@@H](C(=O)N[C@H]2CCC[N@@H+](CC(N)=O)C2)NC1=O ZINC001008186799 657070219 /nfs/dbraw/zinc/07/02/19/657070219.db2.gz BVACTXZHMPEQCW-IUCAKERBSA-N 1 2 283.332 -1.924 20 0 CAADLO CN1C(=O)CC[C@H]1C(=O)N[C@@H]1CCC[N@H+](CC(N)=O)C1 ZINC001008203325 657070314 /nfs/dbraw/zinc/07/03/14/657070314.db2.gz KRJXZMNJSHHSCS-ZJUUUORDSA-N 1 2 282.344 -1.327 20 0 CAADLO CN1C(=O)CC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001008203325 657070318 /nfs/dbraw/zinc/07/03/18/657070318.db2.gz KRJXZMNJSHHSCS-ZJUUUORDSA-N 1 2 282.344 -1.327 20 0 CAADLO CNC(=O)C[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCC(=O)N2C)C1 ZINC001008274417 657070447 /nfs/dbraw/zinc/07/04/47/657070447.db2.gz DNEFRKUTXVUAAP-WDEREUQCSA-N 1 2 296.371 -1.066 20 0 CAADLO CNC(=O)C[N@H+]1CCC[C@H](NC(=O)[C@H]2CCC(=O)N2C)C1 ZINC001008274417 657070449 /nfs/dbraw/zinc/07/04/49/657070449.db2.gz DNEFRKUTXVUAAP-WDEREUQCSA-N 1 2 296.371 -1.066 20 0 CAADLO CC[C@H](C(N)=O)[N@@H+]1CCC[C@H](NC(=O)c2nnn(C)n2)C1 ZINC001008232000 657070494 /nfs/dbraw/zinc/07/04/94/657070494.db2.gz QRGRUVNNRIWJDR-DTWKUNHWSA-N 1 2 295.347 -1.332 20 0 CAADLO CC[C@H](C(N)=O)[N@H+]1CCC[C@H](NC(=O)c2nnn(C)n2)C1 ZINC001008232000 657070500 /nfs/dbraw/zinc/07/05/00/657070500.db2.gz QRGRUVNNRIWJDR-DTWKUNHWSA-N 1 2 295.347 -1.332 20 0 CAADLO C[C@@]1(C(=O)N[C@H]2CCC[N@H+](CC(N)=O)C2)CCC(=O)NC1 ZINC001008271463 657070517 /nfs/dbraw/zinc/07/05/17/657070517.db2.gz WARGBTGMXHKIOA-IINYFYTJSA-N 1 2 296.371 -1.031 20 0 CAADLO C[C@@]1(C(=O)N[C@H]2CCC[N@@H+](CC(N)=O)C2)CCC(=O)NC1 ZINC001008271463 657070523 /nfs/dbraw/zinc/07/05/23/657070523.db2.gz WARGBTGMXHKIOA-IINYFYTJSA-N 1 2 296.371 -1.031 20 0 CAADLO CNC(=O)C[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCN(C)C2=O)C1 ZINC001008252676 657070644 /nfs/dbraw/zinc/07/06/44/657070644.db2.gz ZEPPQBQERYYZPK-WDEREUQCSA-N 1 2 296.371 -1.209 20 0 CAADLO CNC(=O)C[N@H+]1CCC[C@H](NC(=O)[C@H]2CCN(C)C2=O)C1 ZINC001008252676 657070649 /nfs/dbraw/zinc/07/06/49/657070649.db2.gz ZEPPQBQERYYZPK-WDEREUQCSA-N 1 2 296.371 -1.209 20 0 CAADLO NC(=O)C(=O)N[C@@H]1CCC[N@H+](CC(=O)N2CCCC2)C1 ZINC001008366138 657071349 /nfs/dbraw/zinc/07/13/49/657071349.db2.gz PVPYFYRQDNTYNV-SNVBAGLBSA-N 1 2 282.344 -1.325 20 0 CAADLO NC(=O)C(=O)N[C@@H]1CCC[N@@H+](CC(=O)N2CCCC2)C1 ZINC001008366138 657071351 /nfs/dbraw/zinc/07/13/51/657071351.db2.gz PVPYFYRQDNTYNV-SNVBAGLBSA-N 1 2 282.344 -1.325 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+]1CCC[C@H](NC(=O)C(N)=O)C1 ZINC001008369509 657071387 /nfs/dbraw/zinc/07/13/87/657071387.db2.gz GACCPGZQCFYAJR-YUMQZZPRSA-N 1 2 256.306 -1.813 20 0 CAADLO CNC(=O)[C@H](C)[N@H+]1CCC[C@H](NC(=O)C(N)=O)C1 ZINC001008369509 657071390 /nfs/dbraw/zinc/07/13/90/657071390.db2.gz GACCPGZQCFYAJR-YUMQZZPRSA-N 1 2 256.306 -1.813 20 0 CAADLO CNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001008364778 657071483 /nfs/dbraw/zinc/07/14/83/657071483.db2.gz KMCACCHJZNZNSG-BDAKNGLRSA-N 1 2 283.332 -2.006 20 0 CAADLO CNC(=O)C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001008364778 657071489 /nfs/dbraw/zinc/07/14/89/657071489.db2.gz KMCACCHJZNZNSG-BDAKNGLRSA-N 1 2 283.332 -2.006 20 0 CAADLO CCN1CC[C@H]([N@@H+]2CCC[C@@H](NC(=O)C(N)=O)C2)C1=O ZINC001008368514 657071502 /nfs/dbraw/zinc/07/15/02/657071502.db2.gz BDKXVGJVTMMEOE-ZJUUUORDSA-N 1 2 282.344 -1.327 20 0 CAADLO CCN1CC[C@H]([N@H+]2CCC[C@@H](NC(=O)C(N)=O)C2)C1=O ZINC001008368514 657071508 /nfs/dbraw/zinc/07/15/08/657071508.db2.gz BDKXVGJVTMMEOE-ZJUUUORDSA-N 1 2 282.344 -1.327 20 0 CAADLO CC[C@H](C(N)=O)[N@@H+]1CCC[C@@H](NC(=O)C(N)=O)C1 ZINC001008374035 657071570 /nfs/dbraw/zinc/07/15/70/657071570.db2.gz BAPXUKVGMSPZDY-HTQZYQBOSA-N 1 2 256.306 -1.684 20 0 CAADLO CC[C@H](C(N)=O)[N@H+]1CCC[C@@H](NC(=O)C(N)=O)C1 ZINC001008374035 657071577 /nfs/dbraw/zinc/07/15/77/657071577.db2.gz BAPXUKVGMSPZDY-HTQZYQBOSA-N 1 2 256.306 -1.684 20 0 CAADLO NC(=O)C(=O)N[C@@H]1CCC[N@@H+]([C@H]2CCCNC2=O)C1 ZINC001008369609 657071814 /nfs/dbraw/zinc/07/18/14/657071814.db2.gz HCUXEMDWYHCWKV-BDAKNGLRSA-N 1 2 268.317 -1.669 20 0 CAADLO NC(=O)C(=O)N[C@@H]1CCC[N@H+]([C@H]2CCCNC2=O)C1 ZINC001008369609 657071818 /nfs/dbraw/zinc/07/18/18/657071818.db2.gz HCUXEMDWYHCWKV-BDAKNGLRSA-N 1 2 268.317 -1.669 20 0 CAADLO NC(=O)C(=O)N[C@@H]1CCC[N@@H+]([C@@H]2CCCNC2=O)C1 ZINC001008369615 657071984 /nfs/dbraw/zinc/07/19/84/657071984.db2.gz HCUXEMDWYHCWKV-RKDXNWHRSA-N 1 2 268.317 -1.669 20 0 CAADLO NC(=O)C(=O)N[C@@H]1CCC[N@H+]([C@@H]2CCCNC2=O)C1 ZINC001008369615 657071988 /nfs/dbraw/zinc/07/19/88/657071988.db2.gz HCUXEMDWYHCWKV-RKDXNWHRSA-N 1 2 268.317 -1.669 20 0 CAADLO Cn1c[nH+]cc1CN1CCC[C@@H](NC(=O)C(N)=O)C1 ZINC001008363558 657072090 /nfs/dbraw/zinc/07/20/90/657072090.db2.gz DZRCOCNJQFPOFN-SECBINFHSA-N 1 2 265.317 -1.014 20 0 CAADLO CNC(=O)C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001008364784 657072192 /nfs/dbraw/zinc/07/21/92/657072192.db2.gz KMCACCHJZNZNSG-IUCAKERBSA-N 1 2 283.332 -2.006 20 0 CAADLO CNC(=O)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001008364784 657072199 /nfs/dbraw/zinc/07/21/99/657072199.db2.gz KMCACCHJZNZNSG-IUCAKERBSA-N 1 2 283.332 -2.006 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001008362458 657072225 /nfs/dbraw/zinc/07/22/25/657072225.db2.gz ABGYDQRREKDBPV-SFYZADRCSA-N 1 2 269.305 -2.266 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001008362458 657072231 /nfs/dbraw/zinc/07/22/31/657072231.db2.gz ABGYDQRREKDBPV-SFYZADRCSA-N 1 2 269.305 -2.266 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@H](NC(=O)c2c[nH]c(=O)cn2)C1 ZINC001008335060 657072318 /nfs/dbraw/zinc/07/23/18/657072318.db2.gz SNWRCFOJVFKSLK-QMMMGPOBSA-N 1 2 279.300 -1.551 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@H](NC(=O)c2c[nH]c(=O)cn2)C1 ZINC001008335060 657072321 /nfs/dbraw/zinc/07/23/21/657072321.db2.gz SNWRCFOJVFKSLK-QMMMGPOBSA-N 1 2 279.300 -1.551 20 0 CAADLO C[C@@]1(C(=O)N[C@@H]2CCC[N@H+](CC(N)=O)C2)CCC(=O)N1 ZINC001008435930 657073100 /nfs/dbraw/zinc/07/31/00/657073100.db2.gz CYZBDPKOWMQTPS-RNCFNFMXSA-N 1 2 282.344 -1.279 20 0 CAADLO C[C@@]1(C(=O)N[C@@H]2CCC[N@@H+](CC(N)=O)C2)CCC(=O)N1 ZINC001008435930 657073106 /nfs/dbraw/zinc/07/31/06/657073106.db2.gz CYZBDPKOWMQTPS-RNCFNFMXSA-N 1 2 282.344 -1.279 20 0 CAADLO NC(=O)C(=O)N[C@H]1CCC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001008385319 657073140 /nfs/dbraw/zinc/07/31/40/657073140.db2.gz PJUQRUYZOPNKME-YUMQZZPRSA-N 1 2 254.290 -2.059 20 0 CAADLO NC(=O)C(=O)N[C@H]1CCC[N@H+]([C@H]2CCNC2=O)C1 ZINC001008385319 657073147 /nfs/dbraw/zinc/07/31/47/657073147.db2.gz PJUQRUYZOPNKME-YUMQZZPRSA-N 1 2 254.290 -2.059 20 0 CAADLO NC(=O)C(=O)N[C@@H]1CCC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001008385313 657073164 /nfs/dbraw/zinc/07/31/64/657073164.db2.gz PJUQRUYZOPNKME-HTQZYQBOSA-N 1 2 254.290 -2.059 20 0 CAADLO NC(=O)C(=O)N[C@@H]1CCC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001008385313 657073174 /nfs/dbraw/zinc/07/31/74/657073174.db2.gz PJUQRUYZOPNKME-HTQZYQBOSA-N 1 2 254.290 -2.059 20 0 CAADLO CN1CC[C@@H]([N@@H+]2CCC[C@H](NC(=O)C(N)=O)C2)C1=O ZINC001008379359 657073207 /nfs/dbraw/zinc/07/32/07/657073207.db2.gz OSLURKORQHIFSX-DTWKUNHWSA-N 1 2 268.317 -1.717 20 0 CAADLO CN1CC[C@@H]([N@H+]2CCC[C@H](NC(=O)C(N)=O)C2)C1=O ZINC001008379359 657073212 /nfs/dbraw/zinc/07/32/12/657073212.db2.gz OSLURKORQHIFSX-DTWKUNHWSA-N 1 2 268.317 -1.717 20 0 CAADLO CNC(=O)C[N@@H+]1CCC[C@H](NC(=O)[C@]2(C)CCC(=O)N2)C1 ZINC001008437914 657073251 /nfs/dbraw/zinc/07/32/51/657073251.db2.gz RUHWAPREONVCCN-HZMBPMFUSA-N 1 2 296.371 -1.018 20 0 CAADLO CNC(=O)C[N@H+]1CCC[C@H](NC(=O)[C@]2(C)CCC(=O)N2)C1 ZINC001008437914 657073258 /nfs/dbraw/zinc/07/32/58/657073258.db2.gz RUHWAPREONVCCN-HZMBPMFUSA-N 1 2 296.371 -1.018 20 0 CAADLO C[C@@]1(C(=O)N[C@H]2CCC[N@H+](CC(N)=O)C2)CCC(=O)N1 ZINC001008435931 657073600 /nfs/dbraw/zinc/07/36/00/657073600.db2.gz CYZBDPKOWMQTPS-ZANVPECISA-N 1 2 282.344 -1.279 20 0 CAADLO C[C@@]1(C(=O)N[C@H]2CCC[N@@H+](CC(N)=O)C2)CCC(=O)N1 ZINC001008435931 657073605 /nfs/dbraw/zinc/07/36/05/657073605.db2.gz CYZBDPKOWMQTPS-ZANVPECISA-N 1 2 282.344 -1.279 20 0 CAADLO Cn1cc(C(=O)N[C@@H]2CCC[N@H+](CC(N)=O)C2)[nH]c1=O ZINC001008422925 657073786 /nfs/dbraw/zinc/07/37/86/657073786.db2.gz PPDMCACMQDPVOP-MRVPVSSYSA-N 1 2 281.316 -1.195 20 0 CAADLO Cn1cc(C(=O)N[C@@H]2CCC[N@@H+](CC(N)=O)C2)[nH]c1=O ZINC001008422925 657073791 /nfs/dbraw/zinc/07/37/91/657073791.db2.gz PPDMCACMQDPVOP-MRVPVSSYSA-N 1 2 281.316 -1.195 20 0 CAADLO NC(=O)C(=O)N[C@@H]1CCC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001008385317 657073850 /nfs/dbraw/zinc/07/38/50/657073850.db2.gz PJUQRUYZOPNKME-SFYZADRCSA-N 1 2 254.290 -2.059 20 0 CAADLO NC(=O)C(=O)N[C@@H]1CCC[N@H+]([C@H]2CCNC2=O)C1 ZINC001008385317 657073859 /nfs/dbraw/zinc/07/38/59/657073859.db2.gz PJUQRUYZOPNKME-SFYZADRCSA-N 1 2 254.290 -2.059 20 0 CAADLO CNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)[C@]2(C)CCNC2=O)C1 ZINC001008511825 657074351 /nfs/dbraw/zinc/07/43/51/657074351.db2.gz CYYIDUZBQJQYIR-QMTHXVAHSA-N 1 2 296.371 -1.161 20 0 CAADLO CNC(=O)C[N@H+]1CCC[C@@H](NC(=O)[C@]2(C)CCNC2=O)C1 ZINC001008511825 657074356 /nfs/dbraw/zinc/07/43/56/657074356.db2.gz CYYIDUZBQJQYIR-QMTHXVAHSA-N 1 2 296.371 -1.161 20 0 CAADLO CNC(=O)C[N@@H+]1CCC[C@H](NC(=O)[C@@]2(C)CCNC2=O)C1 ZINC001008511823 657074925 /nfs/dbraw/zinc/07/49/25/657074925.db2.gz CYYIDUZBQJQYIR-HZMBPMFUSA-N 1 2 296.371 -1.161 20 0 CAADLO CNC(=O)C[N@H+]1CCC[C@H](NC(=O)[C@@]2(C)CCNC2=O)C1 ZINC001008511823 657074931 /nfs/dbraw/zinc/07/49/31/657074931.db2.gz CYYIDUZBQJQYIR-HZMBPMFUSA-N 1 2 296.371 -1.161 20 0 CAADLO CC1(C)CN(C(=O)C(N)=O)C[C@@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC001008505372 657075048 /nfs/dbraw/zinc/07/50/48/657075048.db2.gz MEJYJGUEDLTYLQ-QMMMGPOBSA-N 1 2 293.327 -1.209 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@H](NC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001008553098 657075356 /nfs/dbraw/zinc/07/53/56/657075356.db2.gz CPESADQMXUENHX-YIZRAAEISA-N 1 2 268.317 -1.826 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@H](NC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001008553098 657075363 /nfs/dbraw/zinc/07/53/63/657075363.db2.gz CPESADQMXUENHX-YIZRAAEISA-N 1 2 268.317 -1.826 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@@H](NC(=O)c2ccc(C(N)=O)[nH]2)C1 ZINC001008547417 657075396 /nfs/dbraw/zinc/07/53/96/657075396.db2.gz NICUMBDWQATVGY-MRVPVSSYSA-N 1 2 293.327 -1.207 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@@H](NC(=O)c2ccc(C(N)=O)[nH]2)C1 ZINC001008547417 657075406 /nfs/dbraw/zinc/07/54/06/657075406.db2.gz NICUMBDWQATVGY-MRVPVSSYSA-N 1 2 293.327 -1.207 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@H](NC(=O)c2ccc(C(N)=O)[nH]2)C1 ZINC001008547419 657075444 /nfs/dbraw/zinc/07/54/44/657075444.db2.gz NICUMBDWQATVGY-QMMMGPOBSA-N 1 2 293.327 -1.207 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@H](NC(=O)c2ccc(C(N)=O)[nH]2)C1 ZINC001008547419 657075447 /nfs/dbraw/zinc/07/54/47/657075447.db2.gz NICUMBDWQATVGY-QMMMGPOBSA-N 1 2 293.327 -1.207 20 0 CAADLO CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N[C@H]1CCC[N@H+](CC(N)=O)C1 ZINC001008549214 657075562 /nfs/dbraw/zinc/07/55/62/657075562.db2.gz AZGHMLUNMDCMGH-GARJFASQSA-N 1 2 296.371 -1.223 20 0 CAADLO CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N[C@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001008549214 657075567 /nfs/dbraw/zinc/07/55/67/657075567.db2.gz AZGHMLUNMDCMGH-GARJFASQSA-N 1 2 296.371 -1.223 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)C2)C1 ZINC001008548487 657075885 /nfs/dbraw/zinc/07/58/85/657075885.db2.gz BCQFLPKDNDRMFH-VWYCJHECSA-N 1 2 296.371 -1.046 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)C2)C1 ZINC001008548487 657075890 /nfs/dbraw/zinc/07/58/90/657075890.db2.gz BCQFLPKDNDRMFH-VWYCJHECSA-N 1 2 296.371 -1.046 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CCC[C@@H](NC(=O)c2cnn(C)n2)C1 ZINC001008849099 657076343 /nfs/dbraw/zinc/07/63/43/657076343.db2.gz PEAIYXCYKKSCJM-DTWKUNHWSA-N 1 2 280.332 -1.117 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CCC[C@@H](NC(=O)c2cnn(C)n2)C1 ZINC001008849099 657076349 /nfs/dbraw/zinc/07/63/49/657076349.db2.gz PEAIYXCYKKSCJM-DTWKUNHWSA-N 1 2 280.332 -1.117 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CCC[C@H](NC(=O)c2cnn(C)n2)C1 ZINC001008849101 657076569 /nfs/dbraw/zinc/07/65/69/657076569.db2.gz PEAIYXCYKKSCJM-IUCAKERBSA-N 1 2 280.332 -1.117 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CCC[C@H](NC(=O)c2cnn(C)n2)C1 ZINC001008849101 657076573 /nfs/dbraw/zinc/07/65/73/657076573.db2.gz PEAIYXCYKKSCJM-IUCAKERBSA-N 1 2 280.332 -1.117 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@H](NC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001008863253 657077169 /nfs/dbraw/zinc/07/71/69/657077169.db2.gz RIBQWLOMDNEZNX-VIFPVBQESA-N 1 2 296.327 -1.895 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@H](NC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001008863253 657077177 /nfs/dbraw/zinc/07/71/77/657077177.db2.gz RIBQWLOMDNEZNX-VIFPVBQESA-N 1 2 296.327 -1.895 20 0 CAADLO CNC(=O)C[N@@H+]1CCC[C@H](NC(=O)Cc2nc[nH]n2)C1 ZINC001009129468 657078770 /nfs/dbraw/zinc/07/87/70/657078770.db2.gz HAEVNPKIPUKRBD-VIFPVBQESA-N 1 2 280.332 -1.326 20 0 CAADLO CNC(=O)C[N@H+]1CCC[C@H](NC(=O)Cc2nc[nH]n2)C1 ZINC001009129468 657078775 /nfs/dbraw/zinc/07/87/75/657078775.db2.gz HAEVNPKIPUKRBD-VIFPVBQESA-N 1 2 280.332 -1.326 20 0 CAADLO O=C(Cc1nc[nH]n1)N[C@@H]1CCC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001009131333 657078866 /nfs/dbraw/zinc/07/88/66/657078866.db2.gz LIHIGJDIBCXDKU-NXEZZACHSA-N 1 2 292.343 -1.184 20 0 CAADLO O=C(Cc1nc[nH]n1)N[C@@H]1CCC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001009131333 657078871 /nfs/dbraw/zinc/07/88/71/657078871.db2.gz LIHIGJDIBCXDKU-NXEZZACHSA-N 1 2 292.343 -1.184 20 0 CAADLO CNC(=O)C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001009250021 657079177 /nfs/dbraw/zinc/07/91/77/657079177.db2.gz ZJBDGLNIVARLHP-UWVGGRQHSA-N 1 2 282.344 -1.408 20 0 CAADLO CNC(=O)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001009250021 657079183 /nfs/dbraw/zinc/07/91/83/657079183.db2.gz ZJBDGLNIVARLHP-UWVGGRQHSA-N 1 2 282.344 -1.408 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001009262663 657079424 /nfs/dbraw/zinc/07/94/24/657079424.db2.gz GUSYQDDPUSEDKJ-IUCAKERBSA-N 1 2 268.317 -1.669 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001009262663 657079429 /nfs/dbraw/zinc/07/94/29/657079429.db2.gz GUSYQDDPUSEDKJ-IUCAKERBSA-N 1 2 268.317 -1.669 20 0 CAADLO CC(=O)N1CC[C@@H](C(=O)N[C@H]2CCC[N@H+](CC(N)=O)C2)C1 ZINC001009363147 657079468 /nfs/dbraw/zinc/07/94/68/657079468.db2.gz QCHMYMKDAZBZTM-NEPJUHHUSA-N 1 2 296.371 -1.079 20 0 CAADLO CC(=O)N1CC[C@@H](C(=O)N[C@H]2CCC[N@@H+](CC(N)=O)C2)C1 ZINC001009363147 657079471 /nfs/dbraw/zinc/07/94/71/657079471.db2.gz QCHMYMKDAZBZTM-NEPJUHHUSA-N 1 2 296.371 -1.079 20 0 CAADLO CNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001009250023 657079700 /nfs/dbraw/zinc/07/97/00/657079700.db2.gz ZJBDGLNIVARLHP-ZJUUUORDSA-N 1 2 282.344 -1.408 20 0 CAADLO CNC(=O)C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001009250023 657079703 /nfs/dbraw/zinc/07/97/03/657079703.db2.gz ZJBDGLNIVARLHP-ZJUUUORDSA-N 1 2 282.344 -1.408 20 0 CAADLO CNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)Cn2cncn2)C1 ZINC001009430213 657079903 /nfs/dbraw/zinc/07/99/03/657079903.db2.gz BUEPJPVWLPNEBN-SNVBAGLBSA-N 1 2 280.332 -1.395 20 0 CAADLO CNC(=O)C[N@H+]1CCC[C@@H](NC(=O)Cn2cncn2)C1 ZINC001009430213 657079912 /nfs/dbraw/zinc/07/99/12/657079912.db2.gz BUEPJPVWLPNEBN-SNVBAGLBSA-N 1 2 280.332 -1.395 20 0 CAADLO Cn1nc(C(=O)N[C@H]2CCC[N@H+](CC(N)=O)C2)ccc1=O ZINC001009413262 657079984 /nfs/dbraw/zinc/07/99/84/657079984.db2.gz GGNBQJFOFCRPFN-VIFPVBQESA-N 1 2 293.327 -1.540 20 0 CAADLO Cn1nc(C(=O)N[C@H]2CCC[N@@H+](CC(N)=O)C2)ccc1=O ZINC001009413262 657079988 /nfs/dbraw/zinc/07/99/88/657079988.db2.gz GGNBQJFOFCRPFN-VIFPVBQESA-N 1 2 293.327 -1.540 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@@H](NC(=O)Cn2cncn2)C1 ZINC001009431810 657080244 /nfs/dbraw/zinc/08/02/44/657080244.db2.gz GBHOMCQEAXRAID-SECBINFHSA-N 1 2 266.305 -1.656 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@@H](NC(=O)Cn2cncn2)C1 ZINC001009431810 657080246 /nfs/dbraw/zinc/08/02/46/657080246.db2.gz GBHOMCQEAXRAID-SECBINFHSA-N 1 2 266.305 -1.656 20 0 CAADLO CNC(=O)C[N@@H+]1CCC[C@H](NC(=O)Cn2cncn2)C1 ZINC001009430210 657080258 /nfs/dbraw/zinc/08/02/58/657080258.db2.gz BUEPJPVWLPNEBN-JTQLQIEISA-N 1 2 280.332 -1.395 20 0 CAADLO CNC(=O)C[N@H+]1CCC[C@H](NC(=O)Cn2cncn2)C1 ZINC001009430210 657080265 /nfs/dbraw/zinc/08/02/65/657080265.db2.gz BUEPJPVWLPNEBN-JTQLQIEISA-N 1 2 280.332 -1.395 20 0 CAADLO CN1C[C@H](C(=O)N[C@H]2CCC[N@H+](CC(N)=O)C2)CCC1=O ZINC001009641410 657081213 /nfs/dbraw/zinc/08/12/13/657081213.db2.gz HZCJXPZVBVRPBU-MNOVXSKESA-N 1 2 296.371 -1.079 20 0 CAADLO CN1C[C@H](C(=O)N[C@H]2CCC[N@@H+](CC(N)=O)C2)CCC1=O ZINC001009641410 657081218 /nfs/dbraw/zinc/08/12/18/657081218.db2.gz HZCJXPZVBVRPBU-MNOVXSKESA-N 1 2 296.371 -1.079 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCCN2C(N)=O)C1 ZINC001009738505 657081580 /nfs/dbraw/zinc/08/15/80/657081580.db2.gz VHPQYPASZKBWJL-UWVGGRQHSA-N 1 2 297.359 -1.405 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCCN2C(N)=O)C1 ZINC001009738505 657081585 /nfs/dbraw/zinc/08/15/85/657081585.db2.gz VHPQYPASZKBWJL-UWVGGRQHSA-N 1 2 297.359 -1.405 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCN2C(N)=O)C1 ZINC001009738506 657081834 /nfs/dbraw/zinc/08/18/34/657081834.db2.gz VHPQYPASZKBWJL-ZJUUUORDSA-N 1 2 297.359 -1.405 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCN2C(N)=O)C1 ZINC001009738506 657081836 /nfs/dbraw/zinc/08/18/36/657081836.db2.gz VHPQYPASZKBWJL-ZJUUUORDSA-N 1 2 297.359 -1.405 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cc[n+]([O-])cc2)C1 ZINC001010034791 657082589 /nfs/dbraw/zinc/08/25/89/657082589.db2.gz XJINHYQIAXCPMB-LLVKDONJSA-N 1 2 278.312 -1.130 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cc[n+]([O-])cc2)C1 ZINC001010034791 657082596 /nfs/dbraw/zinc/08/25/96/657082596.db2.gz XJINHYQIAXCPMB-LLVKDONJSA-N 1 2 278.312 -1.130 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)C2=COCCO2)C1 ZINC001010023956 657082678 /nfs/dbraw/zinc/08/26/78/657082678.db2.gz SVCPWDDFHKRLNF-IUCAKERBSA-N 1 2 269.301 -1.061 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)C2=COCCO2)C1 ZINC001010023956 657082688 /nfs/dbraw/zinc/08/26/88/657082688.db2.gz SVCPWDDFHKRLNF-IUCAKERBSA-N 1 2 269.301 -1.061 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)c2cc[n+]([O-])cc2)C1 ZINC001010006853 657082767 /nfs/dbraw/zinc/08/27/67/657082767.db2.gz SYLGSWUIQUKLBM-ONGXEEELSA-N 1 2 278.312 -1.002 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)c2cc[n+]([O-])cc2)C1 ZINC001010006853 657082776 /nfs/dbraw/zinc/08/27/76/657082776.db2.gz SYLGSWUIQUKLBM-ONGXEEELSA-N 1 2 278.312 -1.002 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C2=COCCO2)C1 ZINC001009990954 657083080 /nfs/dbraw/zinc/08/30/80/657083080.db2.gz AJERMOQNLSJPEL-SECBINFHSA-N 1 2 269.301 -1.189 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)C2=COCCO2)C1 ZINC001009990954 657083085 /nfs/dbraw/zinc/08/30/85/657083085.db2.gz AJERMOQNLSJPEL-SECBINFHSA-N 1 2 269.301 -1.189 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@@H](NC(=O)C[C@H]2CC(=O)NC2=O)C1 ZINC001009760591 657083290 /nfs/dbraw/zinc/08/32/90/657083290.db2.gz JSSYYOSMFGTEPG-DTWKUNHWSA-N 1 2 296.327 -1.895 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@@H](NC(=O)C[C@H]2CC(=O)NC2=O)C1 ZINC001009760591 657083295 /nfs/dbraw/zinc/08/32/95/657083295.db2.gz JSSYYOSMFGTEPG-DTWKUNHWSA-N 1 2 296.327 -1.895 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)C2=COCCO2)C1 ZINC001010000279 657083784 /nfs/dbraw/zinc/08/37/84/657083784.db2.gz WBXSYVKDQNQBCG-QMMMGPOBSA-N 1 2 255.274 -1.450 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)C2=COCCO2)C1 ZINC001010000279 657083792 /nfs/dbraw/zinc/08/37/92/657083792.db2.gz WBXSYVKDQNQBCG-QMMMGPOBSA-N 1 2 255.274 -1.450 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cc[n+]([O-])cc2)C1 ZINC001010020404 657083843 /nfs/dbraw/zinc/08/38/43/657083843.db2.gz ARPACUTXCDCNIE-JTQLQIEISA-N 1 2 264.285 -1.391 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)c2cc[n+]([O-])cc2)C1 ZINC001010020404 657083848 /nfs/dbraw/zinc/08/38/48/657083848.db2.gz ARPACUTXCDCNIE-JTQLQIEISA-N 1 2 264.285 -1.391 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)Cn2cnnn2)C1 ZINC001010107999 657084795 /nfs/dbraw/zinc/08/47/95/657084795.db2.gz PLFFBCYQGJBZQX-ZETCQYMHSA-N 1 2 253.266 -2.651 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)Cn2cnnn2)C1 ZINC001010107999 657084802 /nfs/dbraw/zinc/08/48/02/657084802.db2.gz PLFFBCYQGJBZQX-ZETCQYMHSA-N 1 2 253.266 -2.651 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cnn(C)c2)C1 ZINC001010103342 657084980 /nfs/dbraw/zinc/08/49/80/657084980.db2.gz DUATZMMCSNSEKA-SNVBAGLBSA-N 1 2 265.317 -1.030 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cnn(C)c2)C1 ZINC001010103342 657084982 /nfs/dbraw/zinc/08/49/82/657084982.db2.gz DUATZMMCSNSEKA-SNVBAGLBSA-N 1 2 265.317 -1.030 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CN2CCCC2=O)C1 ZINC001010075301 657085574 /nfs/dbraw/zinc/08/55/74/657085574.db2.gz CCPRDDJUERBCAO-SNVBAGLBSA-N 1 2 282.344 -1.455 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)CN2CCCC2=O)C1 ZINC001010075301 657085579 /nfs/dbraw/zinc/08/55/79/657085579.db2.gz CCPRDDJUERBCAO-SNVBAGLBSA-N 1 2 282.344 -1.455 20 0 CAADLO Cn1cc(C(=O)N[C@H]2CC[N@H+](CC(N)=O)C2)cn1 ZINC001010114502 657086166 /nfs/dbraw/zinc/08/61/66/657086166.db2.gz FZXXXZKYHUGZSL-VIFPVBQESA-N 1 2 251.290 -1.291 20 0 CAADLO Cn1cc(C(=O)N[C@H]2CC[N@@H+](CC(N)=O)C2)cn1 ZINC001010114502 657086168 /nfs/dbraw/zinc/08/61/68/657086168.db2.gz FZXXXZKYHUGZSL-VIFPVBQESA-N 1 2 251.290 -1.291 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cn2cccn2)C1 ZINC001010198912 657086205 /nfs/dbraw/zinc/08/62/05/657086205.db2.gz YINLINDIVBENLL-SECBINFHSA-N 1 2 251.290 -1.441 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)Cn2cccn2)C1 ZINC001010198912 657086211 /nfs/dbraw/zinc/08/62/11/657086211.db2.gz YINLINDIVBENLL-SECBINFHSA-N 1 2 251.290 -1.441 20 0 CAADLO Cn1nncc1C[N@@H+]1CC[C@H](NC(=O)Cn2cnnn2)C1 ZINC001010111118 657087202 /nfs/dbraw/zinc/08/72/02/657087202.db2.gz XUPFUILPPCEQDZ-VIFPVBQESA-N 1 2 291.319 -1.808 20 0 CAADLO Cn1nncc1C[N@H+]1CC[C@H](NC(=O)Cn2cnnn2)C1 ZINC001010111118 657087207 /nfs/dbraw/zinc/08/72/07/657087207.db2.gz XUPFUILPPCEQDZ-VIFPVBQESA-N 1 2 291.319 -1.808 20 0 CAADLO Cn1nncc1C[N@@H+]1CC[C@H](NC(=O)[C@@H]2COCCO2)C1 ZINC001010258513 657087684 /nfs/dbraw/zinc/08/76/84/657087684.db2.gz UJGZCJHWIRGHRI-JQWIXIFHSA-N 1 2 295.343 -1.079 20 0 CAADLO Cn1nncc1C[N@H+]1CC[C@H](NC(=O)[C@@H]2COCCO2)C1 ZINC001010258513 657087690 /nfs/dbraw/zinc/08/76/90/657087690.db2.gz UJGZCJHWIRGHRI-JQWIXIFHSA-N 1 2 295.343 -1.079 20 0 CAADLO Cn1nncc1C[N@@H+]1CC[C@@H](NC(=O)[C@H]2COCCO2)C1 ZINC001010258519 657087707 /nfs/dbraw/zinc/08/77/07/657087707.db2.gz UJGZCJHWIRGHRI-ZYHUDNBSSA-N 1 2 295.343 -1.079 20 0 CAADLO Cn1nncc1C[N@H+]1CC[C@@H](NC(=O)[C@H]2COCCO2)C1 ZINC001010258519 657087711 /nfs/dbraw/zinc/08/77/11/657087711.db2.gz UJGZCJHWIRGHRI-ZYHUDNBSSA-N 1 2 295.343 -1.079 20 0 CAADLO Cn1nncc1C[N@@H+]1CC[C@H](NC(=O)[C@H]2COCCO2)C1 ZINC001010258510 657088108 /nfs/dbraw/zinc/08/81/08/657088108.db2.gz UJGZCJHWIRGHRI-CMPLNLGQSA-N 1 2 295.343 -1.079 20 0 CAADLO Cn1nncc1C[N@H+]1CC[C@H](NC(=O)[C@H]2COCCO2)C1 ZINC001010258510 657088117 /nfs/dbraw/zinc/08/81/17/657088117.db2.gz UJGZCJHWIRGHRI-CMPLNLGQSA-N 1 2 295.343 -1.079 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2ccn[nH]2)C1 ZINC001010276523 657088761 /nfs/dbraw/zinc/08/87/61/657088761.db2.gz IWHZYQTVKZXRPX-QMMMGPOBSA-N 1 2 251.290 -1.040 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)c2ccn[nH]2)C1 ZINC001010276523 657088763 /nfs/dbraw/zinc/08/87/63/657088763.db2.gz IWHZYQTVKZXRPX-QMMMGPOBSA-N 1 2 251.290 -1.040 20 0 CAADLO Cn1nccc1C(=O)N[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001010361243 657089159 /nfs/dbraw/zinc/08/91/59/657089159.db2.gz MCTBYAJZPWFCSA-MRVPVSSYSA-N 1 2 251.290 -1.291 20 0 CAADLO Cn1nccc1C(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001010361243 657089162 /nfs/dbraw/zinc/08/91/62/657089162.db2.gz MCTBYAJZPWFCSA-MRVPVSSYSA-N 1 2 251.290 -1.291 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)c2nccnc2N)C1 ZINC001010384183 657090052 /nfs/dbraw/zinc/09/00/52/657090052.db2.gz KRQBABUPYBPKIM-JGVFFNPUSA-N 1 2 278.316 -1.263 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)c2nccnc2N)C1 ZINC001010384183 657090056 /nfs/dbraw/zinc/09/00/56/657090056.db2.gz KRQBABUPYBPKIM-JGVFFNPUSA-N 1 2 278.316 -1.263 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2nnn(C)c2C)C1 ZINC001010409303 657090488 /nfs/dbraw/zinc/09/04/88/657090488.db2.gz BNKUQNYNQHKMME-SECBINFHSA-N 1 2 280.332 -1.326 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2nnn(C)c2C)C1 ZINC001010409303 657090497 /nfs/dbraw/zinc/09/04/97/657090497.db2.gz BNKUQNYNQHKMME-SECBINFHSA-N 1 2 280.332 -1.326 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCNC(=O)C2)C1 ZINC001010498297 657090641 /nfs/dbraw/zinc/09/06/41/657090641.db2.gz MFXKFNMGDHXLMP-NXEZZACHSA-N 1 2 282.344 -1.551 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCNC(=O)C2)C1 ZINC001010498297 657090651 /nfs/dbraw/zinc/09/06/51/657090651.db2.gz MFXKFNMGDHXLMP-NXEZZACHSA-N 1 2 282.344 -1.551 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)Cc2cc[nH]n2)C1 ZINC001010404359 657090709 /nfs/dbraw/zinc/09/07/09/657090709.db2.gz HYCXKZIMXGBSAW-VIFPVBQESA-N 1 2 251.290 -1.372 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)Cc2cc[nH]n2)C1 ZINC001010404359 657090717 /nfs/dbraw/zinc/09/07/17/657090717.db2.gz HYCXKZIMXGBSAW-VIFPVBQESA-N 1 2 251.290 -1.372 20 0 CAADLO CN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)c2nccnc2N)C1 ZINC001010395061 657091414 /nfs/dbraw/zinc/09/14/14/657091414.db2.gz WEMJUZSEWBVDOD-SECBINFHSA-N 1 2 292.343 -1.049 20 0 CAADLO CN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)c2nccnc2N)C1 ZINC001010395061 657091421 /nfs/dbraw/zinc/09/14/21/657091421.db2.gz WEMJUZSEWBVDOD-SECBINFHSA-N 1 2 292.343 -1.049 20 0 CAADLO Nc1nccnc1C(=O)N[C@H]1CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001010391888 657091679 /nfs/dbraw/zinc/09/16/79/657091679.db2.gz GJYADICKKKLCOP-IUCAKERBSA-N 1 2 290.327 -1.249 20 0 CAADLO Nc1nccnc1C(=O)N[C@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001010391888 657091686 /nfs/dbraw/zinc/09/16/86/657091686.db2.gz GJYADICKKKLCOP-IUCAKERBSA-N 1 2 290.327 -1.249 20 0 CAADLO C[C@H](C(=O)N[C@H]1CC[N@H+](CC(N)=O)C1)n1cncn1 ZINC001010693289 657093567 /nfs/dbraw/zinc/09/35/67/657093567.db2.gz XXYJCWBNSXDPIC-BDAKNGLRSA-N 1 2 266.305 -1.485 20 0 CAADLO C[C@H](C(=O)N[C@H]1CC[N@@H+](CC(N)=O)C1)n1cncn1 ZINC001010693289 657093570 /nfs/dbraw/zinc/09/35/70/657093570.db2.gz XXYJCWBNSXDPIC-BDAKNGLRSA-N 1 2 266.305 -1.485 20 0 CAADLO Cn1ncc(C(=O)N[C@H]2CC[N@@H+]([C@@H]3CCNC3=O)C2)c1N ZINC001010718872 657093647 /nfs/dbraw/zinc/09/36/47/657093647.db2.gz QJGVPPYWVVHOAQ-WCBMZHEXSA-N 1 2 292.343 -1.305 20 0 CAADLO Cn1ncc(C(=O)N[C@H]2CC[N@H+]([C@@H]3CCNC3=O)C2)c1N ZINC001010718872 657093653 /nfs/dbraw/zinc/09/36/53/657093653.db2.gz QJGVPPYWVVHOAQ-WCBMZHEXSA-N 1 2 292.343 -1.305 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2COCCN2C)C1 ZINC001010696765 657093919 /nfs/dbraw/zinc/09/39/19/657093919.db2.gz TXMPDTRODKUBHT-MNOVXSKESA-N 1 2 284.360 -1.747 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2COCCN2C)C1 ZINC001010696765 657093922 /nfs/dbraw/zinc/09/39/22/657093922.db2.gz TXMPDTRODKUBHT-MNOVXSKESA-N 1 2 284.360 -1.747 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H](C)n2cncn2)C1 ZINC001010676154 657094303 /nfs/dbraw/zinc/09/43/03/657094303.db2.gz KLOVSMCKTKYBEY-UWVGGRQHSA-N 1 2 280.332 -1.224 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@H](C)n2cncn2)C1 ZINC001010676154 657094311 /nfs/dbraw/zinc/09/43/11/657094311.db2.gz KLOVSMCKTKYBEY-UWVGGRQHSA-N 1 2 280.332 -1.224 20 0 CAADLO Cn1ncc(C(=O)N[C@@H]2CC[N@@H+]([C@@H]3CCNC3=O)C2)c1N ZINC001010718867 657094569 /nfs/dbraw/zinc/09/45/69/657094569.db2.gz QJGVPPYWVVHOAQ-PSASIEDQSA-N 1 2 292.343 -1.305 20 0 CAADLO Cn1ncc(C(=O)N[C@@H]2CC[N@H+]([C@@H]3CCNC3=O)C2)c1N ZINC001010718867 657094574 /nfs/dbraw/zinc/09/45/74/657094574.db2.gz QJGVPPYWVVHOAQ-PSASIEDQSA-N 1 2 292.343 -1.305 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cnn(C)c2N)C1 ZINC001010705426 657094587 /nfs/dbraw/zinc/09/45/87/657094587.db2.gz DZSJQDXKDGNENG-MRVPVSSYSA-N 1 2 280.332 -1.448 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cnn(C)c2N)C1 ZINC001010705426 657094591 /nfs/dbraw/zinc/09/45/91/657094591.db2.gz DZSJQDXKDGNENG-MRVPVSSYSA-N 1 2 280.332 -1.448 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)c2cnn(C)c2N)C1 ZINC001010721494 657095859 /nfs/dbraw/zinc/09/58/59/657095859.db2.gz XXSWNYJIHBOHLV-JGVFFNPUSA-N 1 2 280.332 -1.320 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)c2cnn(C)c2N)C1 ZINC001010721494 657095863 /nfs/dbraw/zinc/09/58/63/657095863.db2.gz XXSWNYJIHBOHLV-JGVFFNPUSA-N 1 2 280.332 -1.320 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cc(=O)n(C)o2)C1 ZINC001010783621 657096640 /nfs/dbraw/zinc/09/66/40/657096640.db2.gz XYSWMCJXOWNMTO-QMMMGPOBSA-N 1 2 282.300 -1.472 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cc(=O)n(C)o2)C1 ZINC001010783621 657096650 /nfs/dbraw/zinc/09/66/50/657096650.db2.gz XYSWMCJXOWNMTO-QMMMGPOBSA-N 1 2 282.300 -1.472 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cc2cncnc2)C1 ZINC001010794156 657097395 /nfs/dbraw/zinc/09/73/95/657097395.db2.gz OFSIUECGXXCUHX-LLVKDONJSA-N 1 2 277.328 -1.044 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)Cc2cncnc2)C1 ZINC001010794156 657097403 /nfs/dbraw/zinc/09/74/03/657097403.db2.gz OFSIUECGXXCUHX-LLVKDONJSA-N 1 2 277.328 -1.044 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)Cc2cncnc2)C1 ZINC001010799752 657097769 /nfs/dbraw/zinc/09/77/69/657097769.db2.gz ILURXYMREFUVOL-JTQLQIEISA-N 1 2 263.301 -1.305 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)Cc2cncnc2)C1 ZINC001010799752 657097775 /nfs/dbraw/zinc/09/77/75/657097775.db2.gz ILURXYMREFUVOL-JTQLQIEISA-N 1 2 263.301 -1.305 20 0 CAADLO Cn1nncc1C(=O)N[C@H]1CC[N@H+](CC(=O)NC2CC2)C1 ZINC001010833712 657098099 /nfs/dbraw/zinc/09/80/99/657098099.db2.gz ZMZOEDXEZNAAAW-JTQLQIEISA-N 1 2 292.343 -1.102 20 0 CAADLO Cn1nncc1C(=O)N[C@H]1CC[N@@H+](CC(=O)NC2CC2)C1 ZINC001010833712 657098102 /nfs/dbraw/zinc/09/81/02/657098102.db2.gz ZMZOEDXEZNAAAW-JTQLQIEISA-N 1 2 292.343 -1.102 20 0 CAADLO CN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cnnn2C)C1 ZINC001010826734 657098206 /nfs/dbraw/zinc/09/82/06/657098206.db2.gz BESNBPMSCJIVOH-SECBINFHSA-N 1 2 280.332 -1.293 20 0 CAADLO CN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)c2cnnn2C)C1 ZINC001010826734 657098216 /nfs/dbraw/zinc/09/82/16/657098216.db2.gz BESNBPMSCJIVOH-SECBINFHSA-N 1 2 280.332 -1.293 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)c2cnnn2C)C1 ZINC001010829954 657098323 /nfs/dbraw/zinc/09/83/23/657098323.db2.gz NFFVUHKBOFMSDB-SFYZADRCSA-N 1 2 266.305 -1.507 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)c2cnnn2C)C1 ZINC001010829954 657098333 /nfs/dbraw/zinc/09/83/33/657098333.db2.gz NFFVUHKBOFMSDB-SFYZADRCSA-N 1 2 266.305 -1.507 20 0 CAADLO Cn1nncc1C(=O)N[C@@H]1CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001010830032 657098401 /nfs/dbraw/zinc/09/84/01/657098401.db2.gz NQRBIGHVKGPPHL-BDAKNGLRSA-N 1 2 278.316 -1.492 20 0 CAADLO Cn1nncc1C(=O)N[C@@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001010830032 657098405 /nfs/dbraw/zinc/09/84/05/657098405.db2.gz NQRBIGHVKGPPHL-BDAKNGLRSA-N 1 2 278.316 -1.492 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)c2cnnn2C)C1 ZINC001010829950 657098488 /nfs/dbraw/zinc/09/84/88/657098488.db2.gz NFFVUHKBOFMSDB-HTQZYQBOSA-N 1 2 266.305 -1.507 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)c2cnnn2C)C1 ZINC001010829950 657098493 /nfs/dbraw/zinc/09/84/93/657098493.db2.gz NFFVUHKBOFMSDB-HTQZYQBOSA-N 1 2 266.305 -1.507 20 0 CAADLO NC(=O)CC(=O)N1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001010810519 657098523 /nfs/dbraw/zinc/09/85/23/657098523.db2.gz FMUSHDPDIUVENL-UHFFFAOYSA-N 1 2 279.300 -1.502 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)c2cnnn2C)C1 ZINC001010829957 657098679 /nfs/dbraw/zinc/09/86/79/657098679.db2.gz NFFVUHKBOFMSDB-YUMQZZPRSA-N 1 2 266.305 -1.507 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)c2cnnn2C)C1 ZINC001010829957 657098683 /nfs/dbraw/zinc/09/86/83/657098683.db2.gz NFFVUHKBOFMSDB-YUMQZZPRSA-N 1 2 266.305 -1.507 20 0 CAADLO CN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)c2cnnn2C)C1 ZINC001010826736 657099548 /nfs/dbraw/zinc/09/95/48/657099548.db2.gz BESNBPMSCJIVOH-VIFPVBQESA-N 1 2 280.332 -1.293 20 0 CAADLO CN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)c2cnnn2C)C1 ZINC001010826736 657099554 /nfs/dbraw/zinc/09/95/54/657099554.db2.gz BESNBPMSCJIVOH-VIFPVBQESA-N 1 2 280.332 -1.293 20 0 CAADLO CCn1ncc(C(=O)N[C@@H]2CC[N@@H+]([C@H](C)C(N)=O)C2)n1 ZINC001010871161 657100221 /nfs/dbraw/zinc/10/02/21/657100221.db2.gz SSAGDHOZIAKTCN-RKDXNWHRSA-N 1 2 280.332 -1.024 20 0 CAADLO CCn1ncc(C(=O)N[C@@H]2CC[N@H+]([C@H](C)C(N)=O)C2)n1 ZINC001010871161 657100225 /nfs/dbraw/zinc/10/02/25/657100225.db2.gz SSAGDHOZIAKTCN-RKDXNWHRSA-N 1 2 280.332 -1.024 20 0 CAADLO Cn1cnc(C(=O)N[C@@H]2CC[N@H+](CC(=O)NC3CC3)C2)n1 ZINC001010873082 657100251 /nfs/dbraw/zinc/10/02/51/657100251.db2.gz CCNKUMPLQCHHMY-SNVBAGLBSA-N 1 2 292.343 -1.102 20 0 CAADLO Cn1cnc(C(=O)N[C@@H]2CC[N@@H+](CC(=O)NC3CC3)C2)n1 ZINC001010873082 657100253 /nfs/dbraw/zinc/10/02/53/657100253.db2.gz CCNKUMPLQCHHMY-SNVBAGLBSA-N 1 2 292.343 -1.102 20 0 CAADLO Cn1cnc(C(=O)N[C@H]2CC[N@H+](CC(=O)NC3CC3)C2)n1 ZINC001010873081 657100863 /nfs/dbraw/zinc/10/08/63/657100863.db2.gz CCNKUMPLQCHHMY-JTQLQIEISA-N 1 2 292.343 -1.102 20 0 CAADLO Cn1cnc(C(=O)N[C@H]2CC[N@@H+](CC(=O)NC3CC3)C2)n1 ZINC001010873081 657100876 /nfs/dbraw/zinc/10/08/76/657100876.db2.gz CCNKUMPLQCHHMY-JTQLQIEISA-N 1 2 292.343 -1.102 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cn(C)nn2)C1 ZINC001010853570 657101287 /nfs/dbraw/zinc/10/12/87/657101287.db2.gz RJXWAUTVSVJBGG-QMMMGPOBSA-N 1 2 266.305 -1.635 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cn(C)nn2)C1 ZINC001010853570 657101291 /nfs/dbraw/zinc/10/12/91/657101291.db2.gz RJXWAUTVSVJBGG-QMMMGPOBSA-N 1 2 266.305 -1.635 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2COC(=O)N2)C1 ZINC001010835962 657101337 /nfs/dbraw/zinc/10/13/37/657101337.db2.gz YLXNNSMBFWWSJQ-RNFRBKRXSA-N 1 2 256.262 -2.229 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@H]2COC(=O)N2)C1 ZINC001010835962 657101340 /nfs/dbraw/zinc/10/13/40/657101340.db2.gz YLXNNSMBFWWSJQ-RNFRBKRXSA-N 1 2 256.262 -2.229 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H]2COC(=O)N2)C1 ZINC001010835961 657101958 /nfs/dbraw/zinc/10/19/58/657101958.db2.gz YLXNNSMBFWWSJQ-NKWVEPMBSA-N 1 2 256.262 -2.229 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)[C@H]2COC(=O)N2)C1 ZINC001010835961 657101964 /nfs/dbraw/zinc/10/19/64/657101964.db2.gz YLXNNSMBFWWSJQ-NKWVEPMBSA-N 1 2 256.262 -2.229 20 0 CAADLO Cn1cnc(C(=O)N[C@@H]2CC[N@@H+]([C@@H]3CCN(C)C3=O)C2)n1 ZINC001010880322 657102752 /nfs/dbraw/zinc/10/27/52/657102752.db2.gz IZSDHKCPFGZDFO-NXEZZACHSA-N 1 2 292.343 -1.150 20 0 CAADLO Cn1cnc(C(=O)N[C@@H]2CC[N@H+]([C@@H]3CCN(C)C3=O)C2)n1 ZINC001010880322 657102755 /nfs/dbraw/zinc/10/27/55/657102755.db2.gz IZSDHKCPFGZDFO-NXEZZACHSA-N 1 2 292.343 -1.150 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)c2ncn(C)n2)C1 ZINC001010880530 657103022 /nfs/dbraw/zinc/10/30/22/657103022.db2.gz LXTOROYIJJMRED-SFYZADRCSA-N 1 2 266.305 -1.507 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)c2ncn(C)n2)C1 ZINC001010880530 657103029 /nfs/dbraw/zinc/10/30/29/657103029.db2.gz LXTOROYIJJMRED-SFYZADRCSA-N 1 2 266.305 -1.507 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)Cc2nnc(C)o2)C1 ZINC001010874534 657103314 /nfs/dbraw/zinc/10/33/14/657103314.db2.gz GTDOWZQCKIUVFY-VIFPVBQESA-N 1 2 281.316 -1.143 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)Cc2nnc(C)o2)C1 ZINC001010874534 657103319 /nfs/dbraw/zinc/10/33/19/657103319.db2.gz GTDOWZQCKIUVFY-VIFPVBQESA-N 1 2 281.316 -1.143 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+]1CC[C@H](NC(=O)c2ncn(C)n2)C1 ZINC001010880280 657103370 /nfs/dbraw/zinc/10/33/70/657103370.db2.gz HZXJJJVPFJVGAZ-BDAKNGLRSA-N 1 2 280.332 -1.246 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+]1CC[C@H](NC(=O)c2ncn(C)n2)C1 ZINC001010880280 657103380 /nfs/dbraw/zinc/10/33/80/657103380.db2.gz HZXJJJVPFJVGAZ-BDAKNGLRSA-N 1 2 280.332 -1.246 20 0 CAADLO Cc1nnc(CC(=O)N[C@H]2CC[N@H+](CC(N)=O)C2)o1 ZINC001010879156 657103554 /nfs/dbraw/zinc/10/35/54/657103554.db2.gz XRCFMORPPQNUKS-QMMMGPOBSA-N 1 2 267.289 -1.404 20 0 CAADLO Cc1nnc(CC(=O)N[C@H]2CC[N@@H+](CC(N)=O)C2)o1 ZINC001010879156 657103562 /nfs/dbraw/zinc/10/35/62/657103562.db2.gz XRCFMORPPQNUKS-QMMMGPOBSA-N 1 2 267.289 -1.404 20 0 CAADLO Cn1cnc(C(=O)N[C@H]2CC[N@@H+]([C@@H]3CCN(C)C3=O)C2)n1 ZINC001010880324 657103606 /nfs/dbraw/zinc/10/36/06/657103606.db2.gz IZSDHKCPFGZDFO-VHSXEESVSA-N 1 2 292.343 -1.150 20 0 CAADLO Cn1cnc(C(=O)N[C@H]2CC[N@H+]([C@@H]3CCN(C)C3=O)C2)n1 ZINC001010880324 657103611 /nfs/dbraw/zinc/10/36/11/657103611.db2.gz IZSDHKCPFGZDFO-VHSXEESVSA-N 1 2 292.343 -1.150 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)c2ncn(C)n2)C1 ZINC001010880528 657103628 /nfs/dbraw/zinc/10/36/28/657103628.db2.gz LXTOROYIJJMRED-HTQZYQBOSA-N 1 2 266.305 -1.507 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)c2ncn(C)n2)C1 ZINC001010880528 657103634 /nfs/dbraw/zinc/10/36/34/657103634.db2.gz LXTOROYIJJMRED-HTQZYQBOSA-N 1 2 266.305 -1.507 20 0 CAADLO Cn1cnc(C(=O)N[C@H]2CC[N@@H+]([C@H]3CCN(C)C3=O)C2)n1 ZINC001010880323 657103814 /nfs/dbraw/zinc/10/38/14/657103814.db2.gz IZSDHKCPFGZDFO-UWVGGRQHSA-N 1 2 292.343 -1.150 20 0 CAADLO Cn1cnc(C(=O)N[C@H]2CC[N@H+]([C@H]3CCN(C)C3=O)C2)n1 ZINC001010880323 657103825 /nfs/dbraw/zinc/10/38/25/657103825.db2.gz IZSDHKCPFGZDFO-UWVGGRQHSA-N 1 2 292.343 -1.150 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+]1CC[C@@H](NC(=O)c2ncn(C)n2)C1 ZINC001010880281 657104077 /nfs/dbraw/zinc/10/40/77/657104077.db2.gz HZXJJJVPFJVGAZ-DTWKUNHWSA-N 1 2 280.332 -1.246 20 0 CAADLO CNC(=O)[C@H](C)[N@H+]1CC[C@@H](NC(=O)c2ncn(C)n2)C1 ZINC001010880281 657104082 /nfs/dbraw/zinc/10/40/82/657104082.db2.gz HZXJJJVPFJVGAZ-DTWKUNHWSA-N 1 2 280.332 -1.246 20 0 CAADLO C[C@H](CC(=O)N1CCN(C(=O)C(N)=O)CC1)n1cc[nH+]c1 ZINC001011145770 657105363 /nfs/dbraw/zinc/10/53/63/657105363.db2.gz YVHMRKQRQKCPHD-SNVBAGLBSA-N 1 2 293.327 -1.010 20 0 CAADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCN(C(=O)C(N)=O)CC1 ZINC001011193587 657107270 /nfs/dbraw/zinc/10/72/70/657107270.db2.gz CMVWKRVDUAUXPS-VIFPVBQESA-N 1 2 293.327 -1.256 20 0 CAADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCN(C(=O)C(N)=O)CC1 ZINC001011193587 657107275 /nfs/dbraw/zinc/10/72/75/657107275.db2.gz CMVWKRVDUAUXPS-VIFPVBQESA-N 1 2 293.327 -1.256 20 0 CAADLO C[C@H]1[C@@H](NC(=O)Cc2[nH]cc[nH+]2)CCN1C(=O)CC(N)=O ZINC001011587146 657111904 /nfs/dbraw/zinc/11/19/04/657111904.db2.gz YPHSNCMUWQKDHJ-IUCAKERBSA-N 1 2 293.327 -1.067 20 0 CAADLO C[C@H]1[C@H](NC(=O)Cn2cc[nH+]c2)CCN1C(=O)CC(N)=O ZINC001011586027 657112157 /nfs/dbraw/zinc/11/21/57/657112157.db2.gz OISJJCJXXZSVRJ-VHSXEESVSA-N 1 2 293.327 -1.136 20 0 CAADLO C[C@@H]1[C@H](NC(=O)C(N)=O)CCN1C(=O)CCc1[nH]cc[nH+]1 ZINC001011703468 657113213 /nfs/dbraw/zinc/11/32/13/657113213.db2.gz DJRBTFGVYLEBAP-RKDXNWHRSA-N 1 2 293.327 -1.067 20 0 CAADLO C[C@H]1[C@@H](NC(=O)C(N)=O)CCN1C(=O)CCc1[nH]cc[nH+]1 ZINC001011703466 657113420 /nfs/dbraw/zinc/11/34/20/657113420.db2.gz DJRBTFGVYLEBAP-IUCAKERBSA-N 1 2 293.327 -1.067 20 0 CAADLO Cn1c[nH+]cc1CC(=O)N1CCN(C(=O)C(N)=O)CC1 ZINC001011645344 657113557 /nfs/dbraw/zinc/11/35/57/657113557.db2.gz ANIMSCWOWFHDKQ-UHFFFAOYSA-N 1 2 279.300 -1.881 20 0 CAADLO NC(=O)C(=O)N1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC001011731123 657115277 /nfs/dbraw/zinc/11/52/77/657115277.db2.gz ITRRLUFVFCSUGB-UHFFFAOYSA-N 1 2 279.300 -1.571 20 0 CAADLO Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H](NC(=O)C(N)=O)[C@@H]1C ZINC001011942380 657116467 /nfs/dbraw/zinc/11/64/67/657116467.db2.gz JNKOZNZIOQFPFC-IUCAKERBSA-N 1 2 293.327 -1.148 20 0 CAADLO C[C@H]1[C@@H](NC(=O)C(N)=O)CCN1C(=O)CCn1cc[nH+]c1 ZINC001011932392 657117585 /nfs/dbraw/zinc/11/75/85/657117585.db2.gz VGQSWWJNJYBKAB-UWVGGRQHSA-N 1 2 293.327 -1.136 20 0 CAADLO Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H](NC(=O)C(N)=O)[C@H]1C ZINC001011942382 657117926 /nfs/dbraw/zinc/11/79/26/657117926.db2.gz JNKOZNZIOQFPFC-RKDXNWHRSA-N 1 2 293.327 -1.148 20 0 CAADLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCN(C(=O)C(N)=O)[C@@H]1C ZINC001012014313 657119017 /nfs/dbraw/zinc/11/90/17/657119017.db2.gz BSLVBVJSRGNYDS-RKDXNWHRSA-N 1 2 293.327 -1.148 20 0 CAADLO C[C@@H]1[C@H](NC(=O)C(N)=O)CCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001012011758 657119617 /nfs/dbraw/zinc/11/96/17/657119617.db2.gz JFBDRNINLLJWNO-HTQZYQBOSA-N 1 2 279.300 -1.457 20 0 CAADLO Cn1cc[nH+]c1CCC(=O)N1CCN(C(=O)C(N)=O)CC1 ZINC001011977600 657119719 /nfs/dbraw/zinc/11/97/19/657119719.db2.gz LKQPASNCICALMU-UHFFFAOYSA-N 1 2 293.327 -1.491 20 0 CAADLO C[C@H]1[C@@H](NC(=O)Cc2c[nH+]cn2C)CCN1C(=O)C(N)=O ZINC001012014463 657119745 /nfs/dbraw/zinc/11/97/45/657119745.db2.gz DGSDHUPGCQLXPE-WPRPVWTQSA-N 1 2 293.327 -1.447 20 0 CAADLO C[C@H]1[C@@H](NC(=O)Cc2c[nH]c[nH+]2)CCN1C(=O)C(N)=O ZINC001012026347 657121742 /nfs/dbraw/zinc/12/17/42/657121742.db2.gz UDPBCEBNIRKSOD-CBAPKCEASA-N 1 2 279.300 -1.457 20 0 CAADLO C[C@@H]1C[C@H](NC(=O)Cc2c[nH]c[nH+]2)CN1C(=O)CC(N)=O ZINC001012411354 657127853 /nfs/dbraw/zinc/12/78/53/657127853.db2.gz FVYDSSGVOOEUDG-SCZZXKLOSA-N 1 2 293.327 -1.067 20 0 CAADLO C[C@@H]1C[C@@H](NC(=O)Cc2c[nH]c[nH+]2)CN1C(=O)CC(N)=O ZINC001012411353 657128153 /nfs/dbraw/zinc/12/81/53/657128153.db2.gz FVYDSSGVOOEUDG-PSASIEDQSA-N 1 2 293.327 -1.067 20 0 CAADLO C[C@@H]1C[C@@H](NC(=O)C(N)=O)CN1C(=O)CCc1[nH]cc[nH+]1 ZINC001012539713 657129409 /nfs/dbraw/zinc/12/94/09/657129409.db2.gz VCIIGGUEROVRGE-RKDXNWHRSA-N 1 2 293.327 -1.067 20 0 CAADLO C[C@H]1C[C@H](NC(=O)C(N)=O)CN1C(=O)CCn1cc[nH+]c1 ZINC001013410433 657134284 /nfs/dbraw/zinc/13/42/84/657134284.db2.gz HFDJKRWLVSLBMO-UWVGGRQHSA-N 1 2 293.327 -1.136 20 0 CAADLO C[C@H]1C[C@@H](NC(=O)C(N)=O)CN1C(=O)CCn1cc[nH+]c1 ZINC001013410435 657134413 /nfs/dbraw/zinc/13/44/13/657134413.db2.gz HFDJKRWLVSLBMO-VHSXEESVSA-N 1 2 293.327 -1.136 20 0 CAADLO Cc1[nH+]c[nH]c1CC(=O)N1C[C@H](NC(=O)C(N)=O)C[C@H]1C ZINC001013507204 657134918 /nfs/dbraw/zinc/13/49/18/657134918.db2.gz WXNLWAZBMKUCML-VXNVDRBHSA-N 1 2 293.327 -1.148 20 0 CAADLO Cc1[nH+]c[nH]c1CC(=O)N1C[C@H](NC(=O)C(N)=O)C[C@@H]1C ZINC001013507203 657134922 /nfs/dbraw/zinc/13/49/22/657134922.db2.gz WXNLWAZBMKUCML-IONNQARKSA-N 1 2 293.327 -1.148 20 0 CAADLO C[C@H]1C[C@H](NC(=O)C(N)=O)CN1C(=O)Cc1[nH]cc[nH+]1 ZINC001013932000 657137577 /nfs/dbraw/zinc/13/75/77/657137577.db2.gz GDQMPHPQEJVYFP-YUMQZZPRSA-N 1 2 279.300 -1.457 20 0 CAADLO C[C@@H]1C[C@@H](NC(=O)C(N)=O)CN1C(=O)Cc1[nH]cc[nH+]1 ZINC001013931997 657137590 /nfs/dbraw/zinc/13/75/90/657137590.db2.gz GDQMPHPQEJVYFP-HTQZYQBOSA-N 1 2 279.300 -1.457 20 0 CAADLO Cc1[nH+]c[nH]c1CC(=O)N[C@H]1C[C@@H](C)N(C(=O)C(N)=O)C1 ZINC001013965316 657140495 /nfs/dbraw/zinc/14/04/95/657140495.db2.gz FYOYRDMSGCDUEH-APPZFPTMSA-N 1 2 293.327 -1.148 20 0 CAADLO C[C@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2)CN1C(=O)C(N)=O ZINC001013988243 657141572 /nfs/dbraw/zinc/14/15/72/657141572.db2.gz CAXINIIOIXVSGY-DTWKUNHWSA-N 1 2 279.300 -1.526 20 0 CAADLO C[C@H]1C[C@H](NC(=O)Cn2cc[nH+]c2)CN1C(=O)C(N)=O ZINC001013988244 657141765 /nfs/dbraw/zinc/14/17/65/657141765.db2.gz CAXINIIOIXVSGY-IUCAKERBSA-N 1 2 279.300 -1.526 20 0 CAADLO CCn1nncc1C(=O)N[C@@H]1CC[N@@H+]([C@@H](C)C(N)=O)C1 ZINC001014372721 657143121 /nfs/dbraw/zinc/14/31/21/657143121.db2.gz YMKYCJDPUSEDMZ-DTWKUNHWSA-N 1 2 280.332 -1.024 20 0 CAADLO CCn1nncc1C(=O)N[C@@H]1CC[N@H+]([C@@H](C)C(N)=O)C1 ZINC001014372721 657143126 /nfs/dbraw/zinc/14/31/26/657143126.db2.gz YMKYCJDPUSEDMZ-DTWKUNHWSA-N 1 2 280.332 -1.024 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cc2nnc(C)[nH]2)C1 ZINC001014379329 657144559 /nfs/dbraw/zinc/14/45/59/657144559.db2.gz WXUJCUUKLFGWOL-SECBINFHSA-N 1 2 280.332 -1.408 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)Cc2nnc(C)[nH]2)C1 ZINC001014379329 657144567 /nfs/dbraw/zinc/14/45/67/657144567.db2.gz WXUJCUUKLFGWOL-SECBINFHSA-N 1 2 280.332 -1.408 20 0 CAADLO O=C(Cn1ncnn1)N[C@H]1CC[N@@H+](CC(=O)NC2CC2)C1 ZINC001014426303 657146264 /nfs/dbraw/zinc/14/62/64/657146264.db2.gz GSBUWKWZTRKJOX-JTQLQIEISA-N 1 2 293.331 -1.858 20 0 CAADLO O=C(Cn1ncnn1)N[C@H]1CC[N@H+](CC(=O)NC2CC2)C1 ZINC001014426303 657146270 /nfs/dbraw/zinc/14/62/70/657146270.db2.gz GSBUWKWZTRKJOX-JTQLQIEISA-N 1 2 293.331 -1.858 20 0 CAADLO Cn1nncc1C[N@@H+]1CC[C@H](NC(=O)Cn2nccn2)C1 ZINC001014565661 657147598 /nfs/dbraw/zinc/14/75/98/657147598.db2.gz MZMJIDRTKNFYLW-JTQLQIEISA-N 1 2 290.331 -1.203 20 0 CAADLO Cn1nncc1C[N@H+]1CC[C@H](NC(=O)Cn2nccn2)C1 ZINC001014565661 657147605 /nfs/dbraw/zinc/14/76/05/657147605.db2.gz MZMJIDRTKNFYLW-JTQLQIEISA-N 1 2 290.331 -1.203 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)Cn2nccn2)C1 ZINC001014563883 657147873 /nfs/dbraw/zinc/14/78/73/657147873.db2.gz GTFRMYGDDQKWGK-QMMMGPOBSA-N 1 2 252.278 -2.046 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)Cn2nccn2)C1 ZINC001014563883 657147880 /nfs/dbraw/zinc/14/78/80/657147880.db2.gz GTFRMYGDDQKWGK-QMMMGPOBSA-N 1 2 252.278 -2.046 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@]23C[C@H]2COC3)C1 ZINC001014504298 657148883 /nfs/dbraw/zinc/14/88/83/657148883.db2.gz MQGNYZINQFXSSG-AUTRQRHGSA-N 1 2 253.302 -1.301 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)[C@]23C[C@H]2COC3)C1 ZINC001014504298 657148885 /nfs/dbraw/zinc/14/88/85/657148885.db2.gz MQGNYZINQFXSSG-AUTRQRHGSA-N 1 2 253.302 -1.301 20 0 CAADLO O=C(N[C@H]1CC[N@@H+](CCO)C1)C1CS(=O)(=O)C1 ZINC001014546310 657148914 /nfs/dbraw/zinc/14/89/14/657148914.db2.gz BXFZMIQISMGHQC-VIFPVBQESA-N 1 2 262.331 -1.786 20 0 CAADLO O=C(N[C@H]1CC[N@H+](CCO)C1)C1CS(=O)(=O)C1 ZINC001014546310 657148920 /nfs/dbraw/zinc/14/89/20/657148920.db2.gz BXFZMIQISMGHQC-VIFPVBQESA-N 1 2 262.331 -1.786 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)Cn2nccn2)C1 ZINC001014577856 657151044 /nfs/dbraw/zinc/15/10/44/657151044.db2.gz ZBGGMBHAFOTLMC-VIFPVBQESA-N 1 2 266.305 -1.785 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)Cn2nccn2)C1 ZINC001014577856 657151053 /nfs/dbraw/zinc/15/10/53/657151053.db2.gz ZBGGMBHAFOTLMC-VIFPVBQESA-N 1 2 266.305 -1.785 20 0 CAADLO CN1C[C@@H](C(=O)N[C@H]2CC[N@H+](CC(N)=O)C2)CC1=O ZINC001014613600 657151168 /nfs/dbraw/zinc/15/11/68/657151168.db2.gz CLQSVDVOWJCLTN-IUCAKERBSA-N 1 2 268.317 -1.860 20 0 CAADLO CN1C[C@@H](C(=O)N[C@H]2CC[N@@H+](CC(N)=O)C2)CC1=O ZINC001014613600 657151169 /nfs/dbraw/zinc/15/11/69/657151169.db2.gz CLQSVDVOWJCLTN-IUCAKERBSA-N 1 2 268.317 -1.860 20 0 CAADLO CC(C)N1C[C@@H](C(=O)N[C@H]2CC[N@H+](CC(N)=O)C2)CC1=O ZINC001014611224 657151301 /nfs/dbraw/zinc/15/13/01/657151301.db2.gz NRCOCUYVVYDOAS-QWRGUYRKSA-N 1 2 296.371 -1.081 20 0 CAADLO CC(C)N1C[C@@H](C(=O)N[C@H]2CC[N@@H+](CC(N)=O)C2)CC1=O ZINC001014611224 657151305 /nfs/dbraw/zinc/15/13/05/657151305.db2.gz NRCOCUYVVYDOAS-QWRGUYRKSA-N 1 2 296.371 -1.081 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cccn3nnnc23)C1 ZINC001014575643 657151547 /nfs/dbraw/zinc/15/15/47/657151547.db2.gz BLWGKQNMGDJUDB-MRVPVSSYSA-N 1 2 289.299 -1.586 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cccn3nnnc23)C1 ZINC001014575643 657151558 /nfs/dbraw/zinc/15/15/58/657151558.db2.gz BLWGKQNMGDJUDB-MRVPVSSYSA-N 1 2 289.299 -1.586 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)C[C@H]2CCC(=O)NC2)C1 ZINC001014701098 657151662 /nfs/dbraw/zinc/15/16/62/657151662.db2.gz QTVXLORBALCMPI-ZJUUUORDSA-N 1 2 282.344 -1.422 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)C[C@H]2CCC(=O)NC2)C1 ZINC001014701098 657151682 /nfs/dbraw/zinc/15/16/82/657151682.db2.gz QTVXLORBALCMPI-ZJUUUORDSA-N 1 2 282.344 -1.422 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cn2cc(C3CC3)nn2)C1 ZINC001014715815 657153142 /nfs/dbraw/zinc/15/31/42/657153142.db2.gz FYPIFGNKUXAGQZ-SNVBAGLBSA-N 1 2 292.343 -1.169 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)Cn2cc(C3CC3)nn2)C1 ZINC001014715815 657153151 /nfs/dbraw/zinc/15/31/51/657153151.db2.gz FYPIFGNKUXAGQZ-SNVBAGLBSA-N 1 2 292.343 -1.169 20 0 CAADLO C[C@@H]1OCCO[C@@H]1C(=O)N[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001014790469 657153247 /nfs/dbraw/zinc/15/32/47/657153247.db2.gz WILOUJBUWAVCMZ-QXEWZRGKSA-N 1 2 271.317 -1.534 20 0 CAADLO C[C@@H]1OCCO[C@@H]1C(=O)N[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001014790469 657153254 /nfs/dbraw/zinc/15/32/54/657153254.db2.gz WILOUJBUWAVCMZ-QXEWZRGKSA-N 1 2 271.317 -1.534 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)CN2CCOCC2=O)C1 ZINC001014741454 657153333 /nfs/dbraw/zinc/15/33/33/657153333.db2.gz PUNNWBQWLWKFSC-VIFPVBQESA-N 1 2 284.316 -2.479 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)CN2CCOCC2=O)C1 ZINC001014741454 657153339 /nfs/dbraw/zinc/15/33/39/657153339.db2.gz PUNNWBQWLWKFSC-VIFPVBQESA-N 1 2 284.316 -2.479 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCNC2=O)C1 ZINC001014809495 657153742 /nfs/dbraw/zinc/15/37/42/657153742.db2.gz CZWJDRZBACWUHV-VHSXEESVSA-N 1 2 282.344 -1.551 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCNC2=O)C1 ZINC001014809495 657153746 /nfs/dbraw/zinc/15/37/46/657153746.db2.gz CZWJDRZBACWUHV-VHSXEESVSA-N 1 2 282.344 -1.551 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H]2OCCO[C@H]2C)C1 ZINC001014790454 657153807 /nfs/dbraw/zinc/15/38/07/657153807.db2.gz VXDOLYGQZHUNTL-NHCYSSNCSA-N 1 2 285.344 -1.273 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@H]2OCCO[C@H]2C)C1 ZINC001014790454 657153816 /nfs/dbraw/zinc/15/38/16/657153816.db2.gz VXDOLYGQZHUNTL-NHCYSSNCSA-N 1 2 285.344 -1.273 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cc3n(n2)CCO3)C1 ZINC001014738624 657154305 /nfs/dbraw/zinc/15/43/05/657154305.db2.gz YDEYJOAMIQZOLP-SECBINFHSA-N 1 2 293.327 -1.174 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cc3n(n2)CCO3)C1 ZINC001014738624 657154313 /nfs/dbraw/zinc/15/43/13/657154313.db2.gz YDEYJOAMIQZOLP-SECBINFHSA-N 1 2 293.327 -1.174 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CN2CCOCC2=O)C1 ZINC001014735047 657154830 /nfs/dbraw/zinc/15/48/30/657154830.db2.gz DSUGPWHHIOYSEX-SNVBAGLBSA-N 1 2 298.343 -2.218 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)CN2CCOCC2=O)C1 ZINC001014735047 657154833 /nfs/dbraw/zinc/15/48/33/657154833.db2.gz DSUGPWHHIOYSEX-SNVBAGLBSA-N 1 2 298.343 -2.218 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cn3c(n2)COCC3)C1 ZINC001014939116 657155511 /nfs/dbraw/zinc/15/55/11/657155511.db2.gz AQQZGBKHZUDUJW-SECBINFHSA-N 1 2 293.327 -1.297 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cn3c(n2)COCC3)C1 ZINC001014939116 657155516 /nfs/dbraw/zinc/15/55/16/657155516.db2.gz AQQZGBKHZUDUJW-SECBINFHSA-N 1 2 293.327 -1.297 20 0 CAADLO CN1CC[C@H](CC(=O)N[C@H]2CC[N@H+](CC(N)=O)C2)C1=O ZINC001014856999 657156000 /nfs/dbraw/zinc/15/60/00/657156000.db2.gz RMXJEGLHWZCNHE-ZJUUUORDSA-N 1 2 282.344 -1.469 20 0 CAADLO CN1CC[C@H](CC(=O)N[C@H]2CC[N@@H+](CC(N)=O)C2)C1=O ZINC001014856999 657156005 /nfs/dbraw/zinc/15/60/05/657156005.db2.gz RMXJEGLHWZCNHE-ZJUUUORDSA-N 1 2 282.344 -1.469 20 0 CAADLO C[C@@]1(C(=O)N[C@@H]2CC[N@H+](CC(N)=O)C2)CCNC(=O)C1 ZINC001014919322 657156105 /nfs/dbraw/zinc/15/61/05/657156105.db2.gz HKDAFVRSFUZYEO-NOZJJQNGSA-N 1 2 282.344 -1.422 20 0 CAADLO C[C@@]1(C(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C2)CCNC(=O)C1 ZINC001014919322 657156110 /nfs/dbraw/zinc/15/61/10/657156110.db2.gz HKDAFVRSFUZYEO-NOZJJQNGSA-N 1 2 282.344 -1.422 20 0 CAADLO COCCn1nccc1C(=O)N[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001014860460 657156119 /nfs/dbraw/zinc/15/61/19/657156119.db2.gz SFGXBDTYULCVSU-SNVBAGLBSA-N 1 2 295.343 -1.181 20 0 CAADLO COCCn1nccc1C(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001014860460 657156120 /nfs/dbraw/zinc/15/61/20/657156120.db2.gz SFGXBDTYULCVSU-SNVBAGLBSA-N 1 2 295.343 -1.181 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cnc[nH]c2=O)C1 ZINC001014871318 657156178 /nfs/dbraw/zinc/15/61/78/657156178.db2.gz YHMIJIUJABPZHQ-QMMMGPOBSA-N 1 2 279.300 -1.268 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cnc[nH]c2=O)C1 ZINC001014871318 657156180 /nfs/dbraw/zinc/15/61/80/657156180.db2.gz YHMIJIUJABPZHQ-QMMMGPOBSA-N 1 2 279.300 -1.268 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCNC2=O)C1 ZINC001014810294 657156510 /nfs/dbraw/zinc/15/65/10/657156510.db2.gz GXFGUENNJNTOAT-BDAKNGLRSA-N 1 2 268.317 -1.812 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CCCNC2=O)C1 ZINC001014810294 657156512 /nfs/dbraw/zinc/15/65/12/657156512.db2.gz GXFGUENNJNTOAT-BDAKNGLRSA-N 1 2 268.317 -1.812 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2[nH]c(=O)[nH]c2C)C1 ZINC001014830301 657156602 /nfs/dbraw/zinc/15/66/02/657156602.db2.gz BTXRZMRKIHGHML-MRVPVSSYSA-N 1 2 281.316 -1.026 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2[nH]c(=O)[nH]c2C)C1 ZINC001014830301 657156606 /nfs/dbraw/zinc/15/66/06/657156606.db2.gz BTXRZMRKIHGHML-MRVPVSSYSA-N 1 2 281.316 -1.026 20 0 CAADLO CN1CC[C@H](C(=O)N[C@H]2CC[N@H+](CC(N)=O)C2)CC1=O ZINC001014967977 657156655 /nfs/dbraw/zinc/15/66/55/657156655.db2.gz JSLLOAAJAQQSSL-UWVGGRQHSA-N 1 2 282.344 -1.469 20 0 CAADLO CN1CC[C@H](C(=O)N[C@H]2CC[N@@H+](CC(N)=O)C2)CC1=O ZINC001014967977 657156661 /nfs/dbraw/zinc/15/66/61/657156661.db2.gz JSLLOAAJAQQSSL-UWVGGRQHSA-N 1 2 282.344 -1.469 20 0 CAADLO Cn1ccc(C(=O)N[C@@H]2CC[N@H+](CC(N)=O)C2)cc1=O ZINC001014975341 657156674 /nfs/dbraw/zinc/15/66/74/657156674.db2.gz LZVURBUWOUHLPW-SNVBAGLBSA-N 1 2 278.312 -1.325 20 0 CAADLO Cn1ccc(C(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C2)cc1=O ZINC001014975341 657156679 /nfs/dbraw/zinc/15/66/79/657156679.db2.gz LZVURBUWOUHLPW-SNVBAGLBSA-N 1 2 278.312 -1.325 20 0 CAADLO COCCn1nccc1C(=O)N[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001014860459 657156973 /nfs/dbraw/zinc/15/69/73/657156973.db2.gz SFGXBDTYULCVSU-JTQLQIEISA-N 1 2 295.343 -1.181 20 0 CAADLO COCCn1nccc1C(=O)N[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001014860459 657156982 /nfs/dbraw/zinc/15/69/82/657156982.db2.gz SFGXBDTYULCVSU-JTQLQIEISA-N 1 2 295.343 -1.181 20 0 CAADLO C[C@]1(C(=O)N[C@@H]2CC[N@H+](CC(N)=O)C2)CCNC(=O)C1 ZINC001014919323 657157114 /nfs/dbraw/zinc/15/71/14/657157114.db2.gz HKDAFVRSFUZYEO-RNCFNFMXSA-N 1 2 282.344 -1.422 20 0 CAADLO C[C@]1(C(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C2)CCNC(=O)C1 ZINC001014919323 657157122 /nfs/dbraw/zinc/15/71/22/657157122.db2.gz HKDAFVRSFUZYEO-RNCFNFMXSA-N 1 2 282.344 -1.422 20 0 CAADLO C[C@@H]1[C@@H](NC(=O)Cn2cc[nH+]c2)CCCN1C(=O)C(N)=O ZINC001015044472 657157452 /nfs/dbraw/zinc/15/74/52/657157452.db2.gz WRWVIESJSYFRCH-ZJUUUORDSA-N 1 2 293.327 -1.136 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC(=O)NC2)C1 ZINC001015045087 657157467 /nfs/dbraw/zinc/15/74/67/657157467.db2.gz TYAKMISRNNNBHC-UWVGGRQHSA-N 1 2 282.344 -1.551 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCC(=O)NC2)C1 ZINC001015045087 657157469 /nfs/dbraw/zinc/15/74/69/657157469.db2.gz TYAKMISRNNNBHC-UWVGGRQHSA-N 1 2 282.344 -1.551 20 0 CAADLO C[C@H]1[C@@H](NC(=O)Cn2cc[nH+]c2)CCCN1C(=O)C(N)=O ZINC001015044468 657158451 /nfs/dbraw/zinc/15/84/51/657158451.db2.gz WRWVIESJSYFRCH-UWVGGRQHSA-N 1 2 293.327 -1.136 20 0 CAADLO CCN1CCOC[C@H]1C(=O)N[C@@H]1CC[N@H+](CC(=O)NC)C1 ZINC001015021395 657159331 /nfs/dbraw/zinc/15/93/31/657159331.db2.gz AGTSKKWBXVHWFL-NEPJUHHUSA-N 1 2 298.387 -1.356 20 0 CAADLO CCN1CCOC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CC(=O)NC)C1 ZINC001015021395 657159340 /nfs/dbraw/zinc/15/93/40/657159340.db2.gz AGTSKKWBXVHWFL-NEPJUHHUSA-N 1 2 298.387 -1.356 20 0 CAADLO CCN1CCOC[C@@H]1C(=O)N[C@@H]1CC[N@H+](CC(=O)NC)C1 ZINC001015021398 657159788 /nfs/dbraw/zinc/15/97/88/657159788.db2.gz AGTSKKWBXVHWFL-VXGBXAGGSA-N 1 2 298.387 -1.356 20 0 CAADLO CCN1CCOC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](CC(=O)NC)C1 ZINC001015021398 657159796 /nfs/dbraw/zinc/15/97/96/657159796.db2.gz AGTSKKWBXVHWFL-VXGBXAGGSA-N 1 2 298.387 -1.356 20 0 CAADLO O=C(N[C@@H]1CC[N@H+](CCN2CCNC2=O)C1)c1cn[nH]n1 ZINC001015065679 657160848 /nfs/dbraw/zinc/16/08/48/657160848.db2.gz HDMJXBIPVVLKQG-SECBINFHSA-N 1 2 293.331 -1.366 20 0 CAADLO O=C(N[C@@H]1CC[N@@H+](CCN2CCNC2=O)C1)c1cn[nH]n1 ZINC001015065679 657160859 /nfs/dbraw/zinc/16/08/59/657160859.db2.gz HDMJXBIPVVLKQG-SECBINFHSA-N 1 2 293.331 -1.366 20 0 CAADLO O=C(N[C@@H]1CC[N@H+](CCN2CCNC2=O)C1)c1cnn[nH]1 ZINC001015065679 657160867 /nfs/dbraw/zinc/16/08/67/657160867.db2.gz HDMJXBIPVVLKQG-SECBINFHSA-N 1 2 293.331 -1.366 20 0 CAADLO O=C(N[C@@H]1CC[N@@H+](CCN2CCNC2=O)C1)c1cnn[nH]1 ZINC001015065679 657160874 /nfs/dbraw/zinc/16/08/74/657160874.db2.gz HDMJXBIPVVLKQG-SECBINFHSA-N 1 2 293.331 -1.366 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)CN2CCCCC2=O)C1 ZINC001015074745 657160909 /nfs/dbraw/zinc/16/09/09/657160909.db2.gz UASLNTICCGUYGG-SNVBAGLBSA-N 1 2 282.344 -1.325 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)CN2CCCCC2=O)C1 ZINC001015074745 657160925 /nfs/dbraw/zinc/16/09/25/657160925.db2.gz UASLNTICCGUYGG-SNVBAGLBSA-N 1 2 282.344 -1.325 20 0 CAADLO Cn1cc(C(=O)N[C@H]2CC[N@H+](CC(N)=O)C2)ccc1=O ZINC001015070249 657161254 /nfs/dbraw/zinc/16/12/54/657161254.db2.gz LYZJAEFZDDIBOB-JTQLQIEISA-N 1 2 278.312 -1.325 20 0 CAADLO Cn1cc(C(=O)N[C@H]2CC[N@@H+](CC(N)=O)C2)ccc1=O ZINC001015070249 657161261 /nfs/dbraw/zinc/16/12/61/657161261.db2.gz LYZJAEFZDDIBOB-JTQLQIEISA-N 1 2 278.312 -1.325 20 0 CAADLO Cn1cc(C(=O)N[C@@H]2CC[N@H+](CC(N)=O)C2)ccc1=O ZINC001015070252 657161597 /nfs/dbraw/zinc/16/15/97/657161597.db2.gz LYZJAEFZDDIBOB-SNVBAGLBSA-N 1 2 278.312 -1.325 20 0 CAADLO Cn1cc(C(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C2)ccc1=O ZINC001015070252 657161610 /nfs/dbraw/zinc/16/16/10/657161610.db2.gz LYZJAEFZDDIBOB-SNVBAGLBSA-N 1 2 278.312 -1.325 20 0 CAADLO O=C(N[C@H]1CC[N@H+](CCn2cncn2)C1)c1cn[nH]n1 ZINC001015061540 657162262 /nfs/dbraw/zinc/16/22/62/657162262.db2.gz OKZMLQHNFQAPGQ-VIFPVBQESA-N 1 2 276.304 -1.100 20 0 CAADLO O=C(N[C@H]1CC[N@@H+](CCn2cncn2)C1)c1cn[nH]n1 ZINC001015061540 657162266 /nfs/dbraw/zinc/16/22/66/657162266.db2.gz OKZMLQHNFQAPGQ-VIFPVBQESA-N 1 2 276.304 -1.100 20 0 CAADLO O=C(N[C@H]1CC[N@H+](CCn2cncn2)C1)c1cnn[nH]1 ZINC001015061540 657162274 /nfs/dbraw/zinc/16/22/74/657162274.db2.gz OKZMLQHNFQAPGQ-VIFPVBQESA-N 1 2 276.304 -1.100 20 0 CAADLO O=C(N[C@H]1CC[N@@H+](CCn2cncn2)C1)c1cnn[nH]1 ZINC001015061540 657162276 /nfs/dbraw/zinc/16/22/76/657162276.db2.gz OKZMLQHNFQAPGQ-VIFPVBQESA-N 1 2 276.304 -1.100 20 0 CAADLO C[C@H]1[C@@H](NC(=O)C(N)=O)CCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001015183460 657163466 /nfs/dbraw/zinc/16/34/66/657163466.db2.gz HKCWNDGUFNYOMY-IUCAKERBSA-N 1 2 293.327 -1.067 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCN(C(N)=O)C2)C1 ZINC001015167456 657163615 /nfs/dbraw/zinc/16/36/15/657163615.db2.gz XKOOOJIDGVLUKI-UWVGGRQHSA-N 1 2 297.359 -1.547 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCCN(C(N)=O)C2)C1 ZINC001015167456 657163620 /nfs/dbraw/zinc/16/36/20/657163620.db2.gz XKOOOJIDGVLUKI-UWVGGRQHSA-N 1 2 297.359 -1.547 20 0 CAADLO O=C(C[C@@H]1CCS(=O)(=O)C1)N[C@H]1CC[N@@H+](CCO)C1 ZINC001015161563 657163948 /nfs/dbraw/zinc/16/39/48/657163948.db2.gz PDULMZQRTJVZFW-QWRGUYRKSA-N 1 2 290.385 -1.006 20 0 CAADLO O=C(C[C@@H]1CCS(=O)(=O)C1)N[C@H]1CC[N@H+](CCO)C1 ZINC001015161563 657163955 /nfs/dbraw/zinc/16/39/55/657163955.db2.gz PDULMZQRTJVZFW-QWRGUYRKSA-N 1 2 290.385 -1.006 20 0 CAADLO O=C(N[C@H]1CC[N@@H+](CCO)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001015170568 657164103 /nfs/dbraw/zinc/16/41/03/657164103.db2.gz KSJXECFAOGZYJS-ZJUUUORDSA-N 1 2 276.358 -1.396 20 0 CAADLO O=C(N[C@H]1CC[N@H+](CCO)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001015170568 657164111 /nfs/dbraw/zinc/16/41/11/657164111.db2.gz KSJXECFAOGZYJS-ZJUUUORDSA-N 1 2 276.358 -1.396 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCN(C(N)=O)C2)C1 ZINC001015167457 657164065 /nfs/dbraw/zinc/16/40/65/657164065.db2.gz XKOOOJIDGVLUKI-VHSXEESVSA-N 1 2 297.359 -1.547 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CCCN(C(N)=O)C2)C1 ZINC001015167457 657164073 /nfs/dbraw/zinc/16/40/73/657164073.db2.gz XKOOOJIDGVLUKI-VHSXEESVSA-N 1 2 297.359 -1.547 20 0 CAADLO CC(=O)N1CCC[C@H](C(=O)N[C@@H]2CC[N@H+](CC(N)=O)C2)C1 ZINC001015166951 657164260 /nfs/dbraw/zinc/16/42/60/657164260.db2.gz NEADHCRTBSUBTI-NWDGAFQWSA-N 1 2 296.371 -1.079 20 0 CAADLO CC(=O)N1CCC[C@H](C(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C2)C1 ZINC001015166951 657164266 /nfs/dbraw/zinc/16/42/66/657164266.db2.gz NEADHCRTBSUBTI-NWDGAFQWSA-N 1 2 296.371 -1.079 20 0 CAADLO O=C(N[C@@H]1CC[N@@H+](CCO)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001015170565 657164275 /nfs/dbraw/zinc/16/42/75/657164275.db2.gz KSJXECFAOGZYJS-NXEZZACHSA-N 1 2 276.358 -1.396 20 0 CAADLO O=C(N[C@@H]1CC[N@H+](CCO)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001015170565 657164281 /nfs/dbraw/zinc/16/42/81/657164281.db2.gz KSJXECFAOGZYJS-NXEZZACHSA-N 1 2 276.358 -1.396 20 0 CAADLO Cn1cncc1C(=O)N[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001015135811 657164451 /nfs/dbraw/zinc/16/44/51/657164451.db2.gz JDJQAKQVEJGHQI-MRVPVSSYSA-N 1 2 251.290 -1.291 20 0 CAADLO Cn1cncc1C(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001015135811 657164454 /nfs/dbraw/zinc/16/44/54/657164454.db2.gz JDJQAKQVEJGHQI-MRVPVSSYSA-N 1 2 251.290 -1.291 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)C[C@@H]2CCCC(=O)N2)C1 ZINC001015196050 657165025 /nfs/dbraw/zinc/16/50/25/657165025.db2.gz SCCUJRQXDYAUJV-UWVGGRQHSA-N 1 2 282.344 -1.279 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)C[C@@H]2CCCC(=O)N2)C1 ZINC001015196050 657165033 /nfs/dbraw/zinc/16/50/33/657165033.db2.gz SCCUJRQXDYAUJV-UWVGGRQHSA-N 1 2 282.344 -1.279 20 0 CAADLO Cn1cc(C(=O)N[C@@H]2CC[N@H+](CC(N)=O)C2)ncc1=O ZINC001015330767 657165417 /nfs/dbraw/zinc/16/54/17/657165417.db2.gz UYEUOZORQJFJNK-MRVPVSSYSA-N 1 2 279.300 -1.930 20 0 CAADLO Cn1cc(C(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C2)ncc1=O ZINC001015330767 657165428 /nfs/dbraw/zinc/16/54/28/657165428.db2.gz UYEUOZORQJFJNK-MRVPVSSYSA-N 1 2 279.300 -1.930 20 0 CAADLO C[C@H]1[C@H](NC(=O)C(N)=O)CCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001015196949 657165841 /nfs/dbraw/zinc/16/58/41/657165841.db2.gz XRNHLIWGCVUZSP-WCBMZHEXSA-N 1 2 293.327 -1.067 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ccc3nnnn3c2)C1 ZINC001015265063 657166118 /nfs/dbraw/zinc/16/61/18/657166118.db2.gz VBRUVINAGPOEAV-SECBINFHSA-N 1 2 289.299 -1.586 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)c2ccc3nnnn3c2)C1 ZINC001015265063 657166121 /nfs/dbraw/zinc/16/61/21/657166121.db2.gz VBRUVINAGPOEAV-SECBINFHSA-N 1 2 289.299 -1.586 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)C[C@H]2CCCC(=O)N2)C1 ZINC001015196047 657166137 /nfs/dbraw/zinc/16/61/37/657166137.db2.gz SCCUJRQXDYAUJV-NXEZZACHSA-N 1 2 282.344 -1.279 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)C[C@H]2CCCC(=O)N2)C1 ZINC001015196047 657166141 /nfs/dbraw/zinc/16/61/41/657166141.db2.gz SCCUJRQXDYAUJV-NXEZZACHSA-N 1 2 282.344 -1.279 20 0 CAADLO C[C@H]1[C@@H](NC(=O)C(N)=O)CCCN1C(=O)Cn1cc[nH+]c1 ZINC001015186899 657166343 /nfs/dbraw/zinc/16/63/43/657166343.db2.gz BHGQMEIJZRXLNV-UWVGGRQHSA-N 1 2 293.327 -1.136 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cn(C)c(=O)cn2)C1 ZINC001015325297 657166548 /nfs/dbraw/zinc/16/65/48/657166548.db2.gz SRVYPUCTCNSQIE-VIFPVBQESA-N 1 2 293.327 -1.670 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cn(C)c(=O)cn2)C1 ZINC001015325297 657166552 /nfs/dbraw/zinc/16/65/52/657166552.db2.gz SRVYPUCTCNSQIE-VIFPVBQESA-N 1 2 293.327 -1.670 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)c2ccc3nnnn3c2)C1 ZINC001015265068 657166634 /nfs/dbraw/zinc/16/66/34/657166634.db2.gz VBRUVINAGPOEAV-VIFPVBQESA-N 1 2 289.299 -1.586 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)c2ccc3nnnn3c2)C1 ZINC001015265068 657166639 /nfs/dbraw/zinc/16/66/39/657166639.db2.gz VBRUVINAGPOEAV-VIFPVBQESA-N 1 2 289.299 -1.586 20 0 CAADLO C[C@@H]1[C@@H](NC(=O)C(N)=O)CCCN1C(=O)Cn1cc[nH+]c1 ZINC001015186903 657166649 /nfs/dbraw/zinc/16/66/49/657166649.db2.gz BHGQMEIJZRXLNV-ZJUUUORDSA-N 1 2 293.327 -1.136 20 0 CAADLO C[C@@H]1[C@@H](NC(=O)C(N)=O)CCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001015196948 657166713 /nfs/dbraw/zinc/16/67/13/657166713.db2.gz XRNHLIWGCVUZSP-SCZZXKLOSA-N 1 2 293.327 -1.067 20 0 CAADLO C[C@@]1(C(=O)N[C@@H]2CC[N@H+](CC(N)=O)C2)CNC(=O)C1 ZINC001015376857 657167383 /nfs/dbraw/zinc/16/73/83/657167383.db2.gz PELPJDVNSPZUIB-PELKAZGASA-N 1 2 268.317 -1.812 20 0 CAADLO C[C@@]1(C(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C2)CNC(=O)C1 ZINC001015376857 657167412 /nfs/dbraw/zinc/16/74/12/657167412.db2.gz PELPJDVNSPZUIB-PELKAZGASA-N 1 2 268.317 -1.812 20 0 CAADLO Cn1c(=O)[nH]cc(C(=O)N[C@H]2CC[N@H+](CC(N)=O)C2)c1=O ZINC001015489959 657167457 /nfs/dbraw/zinc/16/74/57/657167457.db2.gz YKFIDDJBHPWDRJ-ZETCQYMHSA-N 1 2 295.299 -2.225 20 0 CAADLO Cn1c(=O)[nH]cc(C(=O)N[C@H]2CC[N@@H+](CC(N)=O)C2)c1=O ZINC001015489959 657167461 /nfs/dbraw/zinc/16/74/61/657167461.db2.gz YKFIDDJBHPWDRJ-ZETCQYMHSA-N 1 2 295.299 -2.225 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@]2(C)CNC(=O)C2)C1 ZINC001015379761 657167466 /nfs/dbraw/zinc/16/74/66/657167466.db2.gz XUJWCWBOCWHNEF-ZANVPECISA-N 1 2 282.344 -1.551 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@]2(C)CNC(=O)C2)C1 ZINC001015379761 657167468 /nfs/dbraw/zinc/16/74/68/657167468.db2.gz XUJWCWBOCWHNEF-ZANVPECISA-N 1 2 282.344 -1.551 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCNC2=O)C1 ZINC001015502300 657167505 /nfs/dbraw/zinc/16/75/05/657167505.db2.gz FIDCUBAOBFBFPK-IUCAKERBSA-N 1 2 268.317 -1.941 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCNC2=O)C1 ZINC001015502300 657167511 /nfs/dbraw/zinc/16/75/11/657167511.db2.gz FIDCUBAOBFBFPK-IUCAKERBSA-N 1 2 268.317 -1.941 20 0 CAADLO Cc1nn[nH]c1C(=O)N[C@@H]1CC[N@@H+]([C@H](C)C(N)=O)C1 ZINC001015480169 657167981 /nfs/dbraw/zinc/16/79/81/657167981.db2.gz SDCBOOCFIAVJPS-HTQZYQBOSA-N 1 2 266.305 -1.209 20 0 CAADLO Cc1nn[nH]c1C(=O)N[C@@H]1CC[N@H+]([C@H](C)C(N)=O)C1 ZINC001015480169 657167984 /nfs/dbraw/zinc/16/79/84/657167984.db2.gz SDCBOOCFIAVJPS-HTQZYQBOSA-N 1 2 266.305 -1.209 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2[nH]nnc2C)C1 ZINC001015479433 657168050 /nfs/dbraw/zinc/16/80/50/657168050.db2.gz IZYBMTHFCHJYGC-MRVPVSSYSA-N 1 2 266.305 -1.337 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2[nH]nnc2C)C1 ZINC001015479433 657168054 /nfs/dbraw/zinc/16/80/54/657168054.db2.gz IZYBMTHFCHJYGC-MRVPVSSYSA-N 1 2 266.305 -1.337 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCNC(=O)CC2)C1 ZINC001015405005 657168193 /nfs/dbraw/zinc/16/81/93/657168193.db2.gz UGLUJODJIKEURC-UWVGGRQHSA-N 1 2 282.344 -1.422 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCNC(=O)CC2)C1 ZINC001015405005 657168198 /nfs/dbraw/zinc/16/81/98/657168198.db2.gz UGLUJODJIKEURC-UWVGGRQHSA-N 1 2 282.344 -1.422 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCNC(=O)CC2)C1 ZINC001015403479 657168208 /nfs/dbraw/zinc/16/82/08/657168208.db2.gz MDGRWAMUKBSFDA-MNOVXSKESA-N 1 2 296.371 -1.161 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCNC(=O)CC2)C1 ZINC001015403479 657168212 /nfs/dbraw/zinc/16/82/12/657168212.db2.gz MDGRWAMUKBSFDA-MNOVXSKESA-N 1 2 296.371 -1.161 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cn(C)nc2OC)C1 ZINC001015494794 657168556 /nfs/dbraw/zinc/16/85/56/657168556.db2.gz GQMDSIZWYHAFLB-SECBINFHSA-N 1 2 295.343 -1.021 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cn(C)nc2OC)C1 ZINC001015494794 657168561 /nfs/dbraw/zinc/16/85/61/657168561.db2.gz GQMDSIZWYHAFLB-SECBINFHSA-N 1 2 295.343 -1.021 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCNC2=O)C1 ZINC001015502296 657168628 /nfs/dbraw/zinc/16/86/28/657168628.db2.gz FIDCUBAOBFBFPK-BDAKNGLRSA-N 1 2 268.317 -1.941 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CCNC2=O)C1 ZINC001015502296 657168636 /nfs/dbraw/zinc/16/86/36/657168636.db2.gz FIDCUBAOBFBFPK-BDAKNGLRSA-N 1 2 268.317 -1.941 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCNC2=O)C1 ZINC001015512897 657169634 /nfs/dbraw/zinc/16/96/34/657169634.db2.gz XQRXAJXKDGPERD-YUMQZZPRSA-N 1 2 254.290 -2.202 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCNC2=O)C1 ZINC001015512897 657169636 /nfs/dbraw/zinc/16/96/36/657169636.db2.gz XQRXAJXKDGPERD-YUMQZZPRSA-N 1 2 254.290 -2.202 20 0 CAADLO CN1C[C@H](C(=O)N[C@H]2CC[N@H+](CC(N)=O)C2)NC1=O ZINC001015515511 657169762 /nfs/dbraw/zinc/16/97/62/657169762.db2.gz WQRAJYYJNJMYEF-JGVFFNPUSA-N 1 2 269.305 -2.314 20 0 CAADLO CN1C[C@H](C(=O)N[C@H]2CC[N@@H+](CC(N)=O)C2)NC1=O ZINC001015515511 657169767 /nfs/dbraw/zinc/16/97/67/657169767.db2.gz WQRAJYYJNJMYEF-JGVFFNPUSA-N 1 2 269.305 -2.314 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)CN2CCNC(=O)C2)C1 ZINC001015507097 657169834 /nfs/dbraw/zinc/16/98/34/657169834.db2.gz BHBJPHGZAANQPE-SECBINFHSA-N 1 2 283.332 -2.906 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)CN2CCNC(=O)C2)C1 ZINC001015507097 657169837 /nfs/dbraw/zinc/16/98/37/657169837.db2.gz BHBJPHGZAANQPE-SECBINFHSA-N 1 2 283.332 -2.906 20 0 CAADLO Cn1nncc1C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCNC2=O)C1 ZINC001015506880 657169887 /nfs/dbraw/zinc/16/98/87/657169887.db2.gz ZSWVLZSWQBRIFP-MWLCHTKSSA-N 1 2 292.343 -1.358 20 0 CAADLO Cn1nncc1C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCNC2=O)C1 ZINC001015506880 657169891 /nfs/dbraw/zinc/16/98/91/657169891.db2.gz ZSWVLZSWQBRIFP-MWLCHTKSSA-N 1 2 292.343 -1.358 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)CN2CCNC(=O)C2)C1 ZINC001015507490 657170134 /nfs/dbraw/zinc/17/01/34/657170134.db2.gz DKLIRASCCNIVPJ-JTQLQIEISA-N 1 2 297.359 -2.645 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)CN2CCNC(=O)C2)C1 ZINC001015507490 657170148 /nfs/dbraw/zinc/17/01/48/657170148.db2.gz DKLIRASCCNIVPJ-JTQLQIEISA-N 1 2 297.359 -2.645 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCNC2=O)C1 ZINC001015512895 657170613 /nfs/dbraw/zinc/17/06/13/657170613.db2.gz XQRXAJXKDGPERD-JGVFFNPUSA-N 1 2 254.290 -2.202 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCNC2=O)C1 ZINC001015512895 657170622 /nfs/dbraw/zinc/17/06/22/657170622.db2.gz XQRXAJXKDGPERD-JGVFFNPUSA-N 1 2 254.290 -2.202 20 0 CAADLO Cn1nnc(C(=O)N[C@@H]2CC[N@H+](CC(=O)NC3CC3)C2)n1 ZINC001015552818 657172337 /nfs/dbraw/zinc/17/23/37/657172337.db2.gz GWPSMOFDLGWQME-SECBINFHSA-N 1 2 293.331 -1.707 20 0 CAADLO Cn1nnc(C(=O)N[C@@H]2CC[N@@H+](CC(=O)NC3CC3)C2)n1 ZINC001015552818 657172342 /nfs/dbraw/zinc/17/23/42/657172342.db2.gz GWPSMOFDLGWQME-SECBINFHSA-N 1 2 293.331 -1.707 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC(=O)N2C)C1 ZINC001015533460 657172399 /nfs/dbraw/zinc/17/23/99/657172399.db2.gz YMJIQHBOMLFRLN-UWVGGRQHSA-N 1 2 282.344 -1.456 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC(=O)N2C)C1 ZINC001015533460 657172403 /nfs/dbraw/zinc/17/24/03/657172403.db2.gz YMJIQHBOMLFRLN-UWVGGRQHSA-N 1 2 282.344 -1.456 20 0 CAADLO Cn1nnc(C(=O)N[C@H]2CC[N@H+](CC(=O)N3CCC3)C2)n1 ZINC001015549314 657172789 /nfs/dbraw/zinc/17/27/89/657172789.db2.gz PDLFNYLOPFWWFP-VIFPVBQESA-N 1 2 293.331 -1.754 20 0 CAADLO Cn1nnc(C(=O)N[C@H]2CC[N@@H+](CC(=O)N3CCC3)C2)n1 ZINC001015549314 657172798 /nfs/dbraw/zinc/17/27/98/657172798.db2.gz PDLFNYLOPFWWFP-VIFPVBQESA-N 1 2 293.331 -1.754 20 0 CAADLO Cn1c(C(=O)N[C@H]2CC[N@H+](CC(N)=O)C2)c[nH]c1=O ZINC001015526342 657172873 /nfs/dbraw/zinc/17/28/73/657172873.db2.gz ZVKJKUMRSOFJFZ-ZETCQYMHSA-N 1 2 267.289 -1.585 20 0 CAADLO Cn1c(C(=O)N[C@H]2CC[N@@H+](CC(N)=O)C2)c[nH]c1=O ZINC001015526342 657172879 /nfs/dbraw/zinc/17/28/79/657172879.db2.gz ZVKJKUMRSOFJFZ-ZETCQYMHSA-N 1 2 267.289 -1.585 20 0 CAADLO Cn1nnc(C(=O)N[C@@H]2CC[N@@H+]([C@@H]3CCCNC3=O)C2)n1 ZINC001015554321 657172971 /nfs/dbraw/zinc/17/29/71/657172971.db2.gz MFXZRVOHQCENQP-RKDXNWHRSA-N 1 2 293.331 -1.707 20 0 CAADLO Cn1nnc(C(=O)N[C@@H]2CC[N@H+]([C@@H]3CCCNC3=O)C2)n1 ZINC001015554321 657172979 /nfs/dbraw/zinc/17/29/79/657172979.db2.gz MFXZRVOHQCENQP-RKDXNWHRSA-N 1 2 293.331 -1.707 20 0 CAADLO Cn1nnc(C(=O)N[C@H]2CC[N@@H+]([C@@H]3CCCNC3=O)C2)n1 ZINC001015554314 657173188 /nfs/dbraw/zinc/17/31/88/657173188.db2.gz MFXZRVOHQCENQP-DTWKUNHWSA-N 1 2 293.331 -1.707 20 0 CAADLO Cn1nnc(C(=O)N[C@H]2CC[N@H+]([C@@H]3CCCNC3=O)C2)n1 ZINC001015554314 657173192 /nfs/dbraw/zinc/17/31/92/657173192.db2.gz MFXZRVOHQCENQP-DTWKUNHWSA-N 1 2 293.331 -1.707 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)c2nnn(C)n2)C1 ZINC001015550938 657173552 /nfs/dbraw/zinc/17/35/52/657173552.db2.gz GZKSTAQAQVGCQK-BQBZGAKWSA-N 1 2 267.293 -2.112 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)c2nnn(C)n2)C1 ZINC001015550938 657173559 /nfs/dbraw/zinc/17/35/59/657173559.db2.gz GZKSTAQAQVGCQK-BQBZGAKWSA-N 1 2 267.293 -2.112 20 0 CAADLO CC[C@@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)c2nnn(C)n2)C1 ZINC001015553675 657173680 /nfs/dbraw/zinc/17/36/80/657173680.db2.gz IBRSVSRINBQUEZ-SFYZADRCSA-N 1 2 281.320 -1.722 20 0 CAADLO CC[C@@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)c2nnn(C)n2)C1 ZINC001015553675 657173686 /nfs/dbraw/zinc/17/36/86/657173686.db2.gz IBRSVSRINBQUEZ-SFYZADRCSA-N 1 2 281.320 -1.722 20 0 CAADLO Cc1nc[nH]c(=O)c1C(=O)N[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001015585615 657174558 /nfs/dbraw/zinc/17/45/58/657174558.db2.gz ADYAWRIESWFWGB-MRVPVSSYSA-N 1 2 279.300 -1.220 20 0 CAADLO Cc1nc[nH]c(=O)c1C(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001015585615 657174566 /nfs/dbraw/zinc/17/45/66/657174566.db2.gz ADYAWRIESWFWGB-MRVPVSSYSA-N 1 2 279.300 -1.220 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC(=O)N2C)C1 ZINC001015600033 657174649 /nfs/dbraw/zinc/17/46/49/657174649.db2.gz YMJIQHBOMLFRLN-VHSXEESVSA-N 1 2 282.344 -1.456 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCC(=O)N2C)C1 ZINC001015600033 657174657 /nfs/dbraw/zinc/17/46/57/657174657.db2.gz YMJIQHBOMLFRLN-VHSXEESVSA-N 1 2 282.344 -1.456 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@]2(C)CCC(=O)NC2)C1 ZINC001015592688 657175270 /nfs/dbraw/zinc/17/52/70/657175270.db2.gz NZWZRHPZRWVBGN-QMTHXVAHSA-N 1 2 296.371 -1.161 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@]2(C)CCC(=O)NC2)C1 ZINC001015592688 657175273 /nfs/dbraw/zinc/17/52/73/657175273.db2.gz NZWZRHPZRWVBGN-QMTHXVAHSA-N 1 2 296.371 -1.161 20 0 CAADLO C[C@H](C(=O)N(C)C)[N@@H+]1CC[C@@H](NC(=O)c2nnn(C)n2)C1 ZINC001015554608 657175378 /nfs/dbraw/zinc/17/53/78/657175378.db2.gz ORBJTEXQNHSOHN-RKDXNWHRSA-N 1 2 295.347 -1.509 20 0 CAADLO C[C@H](C(=O)N(C)C)[N@H+]1CC[C@@H](NC(=O)c2nnn(C)n2)C1 ZINC001015554608 657175385 /nfs/dbraw/zinc/17/53/85/657175385.db2.gz ORBJTEXQNHSOHN-RKDXNWHRSA-N 1 2 295.347 -1.509 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+]1CC[C@H](NC(=O)c2nnn(C)n2)C1 ZINC001015554394 657175417 /nfs/dbraw/zinc/17/54/17/657175417.db2.gz NTQUQHATPYDUEU-SFYZADRCSA-N 1 2 281.320 -1.851 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+]1CC[C@H](NC(=O)c2nnn(C)n2)C1 ZINC001015554394 657175420 /nfs/dbraw/zinc/17/54/20/657175420.db2.gz NTQUQHATPYDUEU-SFYZADRCSA-N 1 2 281.320 -1.851 20 0 CAADLO Cn1nnc(C(=O)N[C@@H]2CC[N@@H+]([C@@H]3CCNC3=O)C2)n1 ZINC001015554835 657175574 /nfs/dbraw/zinc/17/55/74/657175574.db2.gz QHEQJXSZGNWMNR-HTQZYQBOSA-N 1 2 279.304 -2.097 20 0 CAADLO Cn1nnc(C(=O)N[C@@H]2CC[N@H+]([C@@H]3CCNC3=O)C2)n1 ZINC001015554835 657175576 /nfs/dbraw/zinc/17/55/76/657175576.db2.gz QHEQJXSZGNWMNR-HTQZYQBOSA-N 1 2 279.304 -2.097 20 0 CAADLO C[C@H](C(=O)N(C)C)[N@@H+]1CC[C@H](NC(=O)c2nnn(C)n2)C1 ZINC001015554605 657175693 /nfs/dbraw/zinc/17/56/93/657175693.db2.gz ORBJTEXQNHSOHN-BDAKNGLRSA-N 1 2 295.347 -1.509 20 0 CAADLO C[C@H](C(=O)N(C)C)[N@H+]1CC[C@H](NC(=O)c2nnn(C)n2)C1 ZINC001015554605 657175701 /nfs/dbraw/zinc/17/57/01/657175701.db2.gz ORBJTEXQNHSOHN-BDAKNGLRSA-N 1 2 295.347 -1.509 20 0 CAADLO CN1CC[C@@H](C(=O)N[C@H]2CC[N@H+](CC(N)=O)C2)C1=O ZINC001015562268 657175706 /nfs/dbraw/zinc/17/57/06/657175706.db2.gz BKVHVVCHPFYSHZ-IUCAKERBSA-N 1 2 268.317 -1.860 20 0 CAADLO CN1CC[C@@H](C(=O)N[C@H]2CC[N@@H+](CC(N)=O)C2)C1=O ZINC001015562268 657175714 /nfs/dbraw/zinc/17/57/14/657175714.db2.gz BKVHVVCHPFYSHZ-IUCAKERBSA-N 1 2 268.317 -1.860 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@@]2(C)CCC(=O)NC2)C1 ZINC001015592689 657175853 /nfs/dbraw/zinc/17/58/53/657175853.db2.gz NZWZRHPZRWVBGN-YGRLFVJLSA-N 1 2 296.371 -1.161 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@@]2(C)CCC(=O)NC2)C1 ZINC001015592689 657175856 /nfs/dbraw/zinc/17/58/56/657175856.db2.gz NZWZRHPZRWVBGN-YGRLFVJLSA-N 1 2 296.371 -1.161 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)Cc2cnoc2)C1 ZINC001015598537 657175863 /nfs/dbraw/zinc/17/58/63/657175863.db2.gz QTOIUSQRQNCDDG-VIFPVBQESA-N 1 2 252.274 -1.107 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)Cc2cnoc2)C1 ZINC001015598537 657175866 /nfs/dbraw/zinc/17/58/66/657175866.db2.gz QTOIUSQRQNCDDG-VIFPVBQESA-N 1 2 252.274 -1.107 20 0 CAADLO Cn1nnc(C(=O)N[C@H]2CC[N@@H+]([C@H]3CCNC3=O)C2)n1 ZINC001015554841 657175875 /nfs/dbraw/zinc/17/58/75/657175875.db2.gz QHEQJXSZGNWMNR-YUMQZZPRSA-N 1 2 279.304 -2.097 20 0 CAADLO Cn1nnc(C(=O)N[C@H]2CC[N@H+]([C@H]3CCNC3=O)C2)n1 ZINC001015554841 657175876 /nfs/dbraw/zinc/17/58/76/657175876.db2.gz QHEQJXSZGNWMNR-YUMQZZPRSA-N 1 2 279.304 -2.097 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001015634342 657176461 /nfs/dbraw/zinc/17/64/61/657176461.db2.gz LPNVPRZUMNLJQU-SFYZADRCSA-N 1 2 269.305 -2.396 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001015634342 657176466 /nfs/dbraw/zinc/17/64/66/657176466.db2.gz LPNVPRZUMNLJQU-SFYZADRCSA-N 1 2 269.305 -2.396 20 0 CAADLO O=C(C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CNC(=O)N2)C1)NC1CC1 ZINC001015634766 657176868 /nfs/dbraw/zinc/17/68/68/657176868.db2.gz NOSNDVSLXIVJAR-UWVGGRQHSA-N 1 2 295.343 -1.863 20 0 CAADLO O=C(C[N@H+]1CC[C@H](NC(=O)[C@@H]2CNC(=O)N2)C1)NC1CC1 ZINC001015634766 657176876 /nfs/dbraw/zinc/17/68/76/657176876.db2.gz NOSNDVSLXIVJAR-UWVGGRQHSA-N 1 2 295.343 -1.863 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2c[nH]c(=O)cn2)C1 ZINC001015623433 657177142 /nfs/dbraw/zinc/17/71/42/657177142.db2.gz UMUVBKSVAWAISG-MRVPVSSYSA-N 1 2 279.300 -1.680 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2c[nH]c(=O)cn2)C1 ZINC001015623433 657177147 /nfs/dbraw/zinc/17/71/47/657177147.db2.gz UMUVBKSVAWAISG-MRVPVSSYSA-N 1 2 279.300 -1.680 20 0 CAADLO Cn1nccc1C[N@@H+]1CC[C@H](NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001015633777 657177785 /nfs/dbraw/zinc/17/77/85/657177785.db2.gz IRNBFDDLPLHGOE-GXSJLCMTSA-N 1 2 292.343 -1.208 20 0 CAADLO Cn1nccc1C[N@H+]1CC[C@H](NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001015633777 657177793 /nfs/dbraw/zinc/17/77/93/657177793.db2.gz IRNBFDDLPLHGOE-GXSJLCMTSA-N 1 2 292.343 -1.208 20 0 CAADLO O=C(C[N@@H+]1CC[C@H](NC(=O)[C@H]2CNC(=O)N2)C1)NC1CC1 ZINC001015634767 657177815 /nfs/dbraw/zinc/17/78/15/657177815.db2.gz NOSNDVSLXIVJAR-VHSXEESVSA-N 1 2 295.343 -1.863 20 0 CAADLO O=C(C[N@H+]1CC[C@H](NC(=O)[C@H]2CNC(=O)N2)C1)NC1CC1 ZINC001015634767 657177822 /nfs/dbraw/zinc/17/78/22/657177822.db2.gz NOSNDVSLXIVJAR-VHSXEESVSA-N 1 2 295.343 -1.863 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2c[nH]c(=O)cn2)C1 ZINC001015627108 657177915 /nfs/dbraw/zinc/17/79/15/657177915.db2.gz RIPLDNIMJOLZHQ-SSDOTTSWSA-N 1 2 265.273 -1.941 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)c2c[nH]c(=O)cn2)C1 ZINC001015627108 657177920 /nfs/dbraw/zinc/17/79/20/657177920.db2.gz RIPLDNIMJOLZHQ-SSDOTTSWSA-N 1 2 265.273 -1.941 20 0 CAADLO Cn1nncc1C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001015635795 657179503 /nfs/dbraw/zinc/17/95/03/657179503.db2.gz WYFOQKBCZRFLGP-PSASIEDQSA-N 1 2 293.331 -1.813 20 0 CAADLO Cn1nncc1C[N@H+]1CC[C@@H](NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001015635795 657179516 /nfs/dbraw/zinc/17/95/16/657179516.db2.gz WYFOQKBCZRFLGP-PSASIEDQSA-N 1 2 293.331 -1.813 20 0 CAADLO CN(C(=O)C[N@@H+]1CC[C@@H](NC(=O)C(N)=O)C1)C1CC1 ZINC001015637315 657179779 /nfs/dbraw/zinc/17/97/79/657179779.db2.gz LTNAUNVYWMBUMQ-MRVPVSSYSA-N 1 2 268.317 -1.717 20 0 CAADLO CN(C(=O)C[N@H+]1CC[C@@H](NC(=O)C(N)=O)C1)C1CC1 ZINC001015637315 657179784 /nfs/dbraw/zinc/17/97/84/657179784.db2.gz LTNAUNVYWMBUMQ-MRVPVSSYSA-N 1 2 268.317 -1.717 20 0 CAADLO Cn1nccc1C[N@@H+]1CC[C@@H](NC(=O)C(N)=O)C1 ZINC001015637096 657179875 /nfs/dbraw/zinc/17/98/75/657179875.db2.gz IXOMQVUSSCLIAA-MRVPVSSYSA-N 1 2 251.290 -1.404 20 0 CAADLO Cn1nccc1C[N@H+]1CC[C@@H](NC(=O)C(N)=O)C1 ZINC001015637096 657179877 /nfs/dbraw/zinc/17/98/77/657179877.db2.gz IXOMQVUSSCLIAA-MRVPVSSYSA-N 1 2 251.290 -1.404 20 0 CAADLO CN(C(=O)C[N@@H+]1CC[C@H](NC(=O)C(N)=O)C1)C1CC1 ZINC001015637316 657180114 /nfs/dbraw/zinc/18/01/14/657180114.db2.gz LTNAUNVYWMBUMQ-QMMMGPOBSA-N 1 2 268.317 -1.717 20 0 CAADLO CN(C(=O)C[N@H+]1CC[C@H](NC(=O)C(N)=O)C1)C1CC1 ZINC001015637316 657180125 /nfs/dbraw/zinc/18/01/25/657180125.db2.gz LTNAUNVYWMBUMQ-QMMMGPOBSA-N 1 2 268.317 -1.717 20 0 CAADLO NC(=O)C(=O)N[C@@H]1CC[N@H+](CC(=O)N2CCOCC2)C1 ZINC001015638110 657181051 /nfs/dbraw/zinc/18/10/51/657181051.db2.gz YGLGYLROWYGEAJ-SECBINFHSA-N 1 2 284.316 -2.479 20 0 CAADLO NC(=O)C(=O)N[C@@H]1CC[N@@H+](CC(=O)N2CCOCC2)C1 ZINC001015638110 657181055 /nfs/dbraw/zinc/18/10/55/657181055.db2.gz YGLGYLROWYGEAJ-SECBINFHSA-N 1 2 284.316 -2.479 20 0 CAADLO CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)C(N)=O)C2)C1=O ZINC001015640775 657181974 /nfs/dbraw/zinc/18/19/74/657181974.db2.gz QPYDYZPZYBQEGH-IUCAKERBSA-N 1 2 268.317 -1.717 20 0 CAADLO CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)C(N)=O)C2)C1=O ZINC001015640775 657181980 /nfs/dbraw/zinc/18/19/80/657181980.db2.gz QPYDYZPZYBQEGH-IUCAKERBSA-N 1 2 268.317 -1.717 20 0 CAADLO Cn1cc(C[N@@H+]2CC[C@H](NC(=O)C(N)=O)C2)cn1 ZINC001015638065 657182001 /nfs/dbraw/zinc/18/20/01/657182001.db2.gz WVIPJYUIZKNCET-VIFPVBQESA-N 1 2 251.290 -1.404 20 0 CAADLO Cn1cc(C[N@H+]2CC[C@H](NC(=O)C(N)=O)C2)cn1 ZINC001015638065 657182004 /nfs/dbraw/zinc/18/20/04/657182004.db2.gz WVIPJYUIZKNCET-VIFPVBQESA-N 1 2 251.290 -1.404 20 0 CAADLO C[C@@]1(C(=O)N[C@H]2CC[N@H+](CC(N)=O)C2)CCNC1=O ZINC001015695773 657183216 /nfs/dbraw/zinc/18/32/16/657183216.db2.gz OWMLPSLGRRGXPZ-QPUJVOFHSA-N 1 2 268.317 -1.812 20 0 CAADLO C[C@@]1(C(=O)N[C@H]2CC[N@@H+](CC(N)=O)C2)CCNC1=O ZINC001015695773 657183223 /nfs/dbraw/zinc/18/32/23/657183223.db2.gz OWMLPSLGRRGXPZ-QPUJVOFHSA-N 1 2 268.317 -1.812 20 0 CAADLO C[C@H](C(=O)N(C)C)[N@@H+]1CC[C@H](NC(=O)C(N)=O)C1 ZINC001015642025 657183433 /nfs/dbraw/zinc/18/34/33/657183433.db2.gz QMPVGKGSJXSOJX-SFYZADRCSA-N 1 2 256.306 -1.861 20 0 CAADLO C[C@H](C(=O)N(C)C)[N@H+]1CC[C@H](NC(=O)C(N)=O)C1 ZINC001015642025 657183442 /nfs/dbraw/zinc/18/34/42/657183442.db2.gz QMPVGKGSJXSOJX-SFYZADRCSA-N 1 2 256.306 -1.861 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCCC(=O)N2)C1 ZINC001015688069 657183586 /nfs/dbraw/zinc/18/35/86/657183586.db2.gz VPJWECRMQAQINV-NXEZZACHSA-N 1 2 282.344 -1.279 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CCCCC(=O)N2)C1 ZINC001015688069 657183589 /nfs/dbraw/zinc/18/35/89/657183589.db2.gz VPJWECRMQAQINV-NXEZZACHSA-N 1 2 282.344 -1.279 20 0 CAADLO CN1CC[C@@H]([N@@H+]2CC[C@@H](NC(=O)C(N)=O)C2)C1=O ZINC001015641497 657183885 /nfs/dbraw/zinc/18/38/85/657183885.db2.gz KEGOXOJLOJACBJ-HTQZYQBOSA-N 1 2 254.290 -2.107 20 0 CAADLO CN1CC[C@@H]([N@H+]2CC[C@@H](NC(=O)C(N)=O)C2)C1=O ZINC001015641497 657183891 /nfs/dbraw/zinc/18/38/91/657183891.db2.gz KEGOXOJLOJACBJ-HTQZYQBOSA-N 1 2 254.290 -2.107 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@@]2(C)CCNC2=O)C1 ZINC001015695676 657184010 /nfs/dbraw/zinc/18/40/10/657184010.db2.gz NKQRKDXHZQMGAT-RNCFNFMXSA-N 1 2 282.344 -1.551 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@@]2(C)CCNC2=O)C1 ZINC001015695676 657184032 /nfs/dbraw/zinc/18/40/32/657184032.db2.gz NKQRKDXHZQMGAT-RNCFNFMXSA-N 1 2 282.344 -1.551 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCCC(=O)N2)C1 ZINC001015688071 657184404 /nfs/dbraw/zinc/18/44/04/657184404.db2.gz VPJWECRMQAQINV-VHSXEESVSA-N 1 2 282.344 -1.279 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCCCC(=O)N2)C1 ZINC001015688071 657184416 /nfs/dbraw/zinc/18/44/16/657184416.db2.gz VPJWECRMQAQINV-VHSXEESVSA-N 1 2 282.344 -1.279 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001015696869 657184654 /nfs/dbraw/zinc/18/46/54/657184654.db2.gz HAUUESNSUDMAFT-XHNCKOQMSA-N 1 2 284.316 -2.305 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001015696869 657184667 /nfs/dbraw/zinc/18/46/67/657184667.db2.gz HAUUESNSUDMAFT-XHNCKOQMSA-N 1 2 284.316 -2.305 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@]2(C)CCNC2=O)C1 ZINC001015695675 657184849 /nfs/dbraw/zinc/18/48/49/657184849.db2.gz NKQRKDXHZQMGAT-NOZJJQNGSA-N 1 2 282.344 -1.551 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@]2(C)CCNC2=O)C1 ZINC001015695675 657184857 /nfs/dbraw/zinc/18/48/57/657184857.db2.gz NKQRKDXHZQMGAT-NOZJJQNGSA-N 1 2 282.344 -1.551 20 0 CAADLO C[C@@]1(C(=O)N[C@@H]2CC[N@H+](CC(N)=O)C2)CCC(=O)N1 ZINC001015661754 657184928 /nfs/dbraw/zinc/18/49/28/657184928.db2.gz GOFWILUVIVJQHS-PELKAZGASA-N 1 2 268.317 -1.669 20 0 CAADLO C[C@@]1(C(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C2)CCC(=O)N1 ZINC001015661754 657184933 /nfs/dbraw/zinc/18/49/33/657184933.db2.gz GOFWILUVIVJQHS-PELKAZGASA-N 1 2 268.317 -1.669 20 0 CAADLO CCCN1C[C@H](C(=O)N[C@H]2CC[N@H+](CC(N)=O)C2)CC1=O ZINC001015775345 657185545 /nfs/dbraw/zinc/18/55/45/657185545.db2.gz LFJZGTRJNFWQOJ-MNOVXSKESA-N 1 2 296.371 -1.079 20 0 CAADLO CCCN1C[C@H](C(=O)N[C@H]2CC[N@@H+](CC(N)=O)C2)CC1=O ZINC001015775345 657185552 /nfs/dbraw/zinc/18/55/52/657185552.db2.gz LFJZGTRJNFWQOJ-MNOVXSKESA-N 1 2 296.371 -1.079 20 0 CAADLO Cc1ccnn1CC(=O)N[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001015777335 657185631 /nfs/dbraw/zinc/18/56/31/657185631.db2.gz LBXLYJFTDNBDDA-SNVBAGLBSA-N 1 2 265.317 -1.133 20 0 CAADLO Cc1ccnn1CC(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001015777335 657185638 /nfs/dbraw/zinc/18/56/38/657185638.db2.gz LBXLYJFTDNBDDA-SNVBAGLBSA-N 1 2 265.317 -1.133 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)C2)C1 ZINC001015715967 657185757 /nfs/dbraw/zinc/18/57/57/657185757.db2.gz LEFOSLMZJXYSCI-KXUCPTDWSA-N 1 2 282.344 -1.436 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)C2)C1 ZINC001015715967 657185762 /nfs/dbraw/zinc/18/57/62/657185762.db2.gz LEFOSLMZJXYSCI-KXUCPTDWSA-N 1 2 282.344 -1.436 20 0 CAADLO CCCN1C[C@H](C(=O)N[C@@H]2CC[N@H+](CC(N)=O)C2)CC1=O ZINC001015775342 657186042 /nfs/dbraw/zinc/18/60/42/657186042.db2.gz LFJZGTRJNFWQOJ-GHMZBOCLSA-N 1 2 296.371 -1.079 20 0 CAADLO CCCN1C[C@H](C(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C2)CC1=O ZINC001015775342 657186052 /nfs/dbraw/zinc/18/60/52/657186052.db2.gz LFJZGTRJNFWQOJ-GHMZBOCLSA-N 1 2 296.371 -1.079 20 0 CAADLO Cn1nncc1C[N@@H+]1CC[C@@H](NC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001015711966 657187056 /nfs/dbraw/zinc/18/70/56/657187056.db2.gz VLLJBQDSDZPAAB-IEBDPFPHSA-N 1 2 292.343 -1.373 20 0 CAADLO Cn1nncc1C[N@H+]1CC[C@@H](NC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001015711966 657187063 /nfs/dbraw/zinc/18/70/63/657187063.db2.gz VLLJBQDSDZPAAB-IEBDPFPHSA-N 1 2 292.343 -1.373 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)C2)C1 ZINC001015715968 657187075 /nfs/dbraw/zinc/18/70/75/657187075.db2.gz LEFOSLMZJXYSCI-UTLUCORTSA-N 1 2 282.344 -1.436 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)C2)C1 ZINC001015715968 657187081 /nfs/dbraw/zinc/18/70/81/657187081.db2.gz LEFOSLMZJXYSCI-UTLUCORTSA-N 1 2 282.344 -1.436 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)c2ccc(C(N)=O)[nH]2)C1 ZINC001015711240 657187122 /nfs/dbraw/zinc/18/71/22/657187122.db2.gz AMXMNTDVOVSXOZ-SFYZADRCSA-N 1 2 293.327 -1.209 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)c2ccc(C(N)=O)[nH]2)C1 ZINC001015711240 657187131 /nfs/dbraw/zinc/18/71/31/657187131.db2.gz AMXMNTDVOVSXOZ-SFYZADRCSA-N 1 2 293.327 -1.209 20 0 CAADLO Cn1nnc(CN2CC[C@@H](NC(=O)Cc3c[nH]c[nH+]3)C2)n1 ZINC001015764760 657187182 /nfs/dbraw/zinc/18/71/82/657187182.db2.gz IBOFAFCUORAQMW-SECBINFHSA-N 1 2 290.331 -1.134 20 0 CAADLO O=C(N[C@H]1CC[N@@H+](CCF)C1)[C@@H]1CC(=O)NC(=O)N1 ZINC001015769280 657187331 /nfs/dbraw/zinc/18/73/31/657187331.db2.gz CFHGJGQOUBZNHK-YUMQZZPRSA-N 1 2 272.280 -1.256 20 0 CAADLO O=C(N[C@H]1CC[N@H+](CCF)C1)[C@@H]1CC(=O)NC(=O)N1 ZINC001015769280 657187340 /nfs/dbraw/zinc/18/73/40/657187340.db2.gz CFHGJGQOUBZNHK-YUMQZZPRSA-N 1 2 272.280 -1.256 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+]1CC[C@H](NC(=O)c2cnn(C)n2)C1 ZINC001015841902 657188510 /nfs/dbraw/zinc/18/85/10/657188510.db2.gz JIUCAVXLOGMCLT-BDAKNGLRSA-N 1 2 280.332 -1.246 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+]1CC[C@H](NC(=O)c2cnn(C)n2)C1 ZINC001015841902 657188516 /nfs/dbraw/zinc/18/85/16/657188516.db2.gz JIUCAVXLOGMCLT-BDAKNGLRSA-N 1 2 280.332 -1.246 20 0 CAADLO CC(C)c1nnnn1CC(=O)N[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001015816576 657188659 /nfs/dbraw/zinc/18/86/59/657188659.db2.gz YVKJVLPRICJYGJ-VIFPVBQESA-N 1 2 295.347 -1.528 20 0 CAADLO CC(C)c1nnnn1CC(=O)N[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001015816576 657188664 /nfs/dbraw/zinc/18/86/64/657188664.db2.gz YVKJVLPRICJYGJ-VIFPVBQESA-N 1 2 295.347 -1.528 20 0 CAADLO CC(C)c1nnnn1CC(=O)N[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001015816573 657188844 /nfs/dbraw/zinc/18/88/44/657188844.db2.gz YVKJVLPRICJYGJ-SECBINFHSA-N 1 2 295.347 -1.528 20 0 CAADLO CC(C)c1nnnn1CC(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001015816573 657188849 /nfs/dbraw/zinc/18/88/49/657188849.db2.gz YVKJVLPRICJYGJ-SECBINFHSA-N 1 2 295.347 -1.528 20 0 CAADLO Cn1ncc(C(=O)N[C@@H]2CC[N@H+](CC(=O)NC3CC3)C2)n1 ZINC001015843502 657189117 /nfs/dbraw/zinc/18/91/17/657189117.db2.gz ACFUCSHUMCSGTG-SNVBAGLBSA-N 1 2 292.343 -1.102 20 0 CAADLO Cn1ncc(C(=O)N[C@@H]2CC[N@@H+](CC(=O)NC3CC3)C2)n1 ZINC001015843502 657189121 /nfs/dbraw/zinc/18/91/21/657189121.db2.gz ACFUCSHUMCSGTG-SNVBAGLBSA-N 1 2 292.343 -1.102 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001015836465 657189147 /nfs/dbraw/zinc/18/91/47/657189147.db2.gz GSYGUTTXULQMID-QMMMGPOBSA-N 1 2 282.300 -2.285 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001015836465 657189148 /nfs/dbraw/zinc/18/91/48/657189148.db2.gz GSYGUTTXULQMID-QMMMGPOBSA-N 1 2 282.300 -2.285 20 0 CAADLO Cn1ncc(C(=O)N[C@@H]2CC[N@@H+]([C@@H]3CCN(C)C3=O)C2)n1 ZINC001015841408 657189158 /nfs/dbraw/zinc/18/91/58/657189158.db2.gz FWXGQXDLSIOGGQ-MWLCHTKSSA-N 1 2 292.343 -1.150 20 0 CAADLO Cn1ncc(C(=O)N[C@@H]2CC[N@H+]([C@@H]3CCN(C)C3=O)C2)n1 ZINC001015841408 657189164 /nfs/dbraw/zinc/18/91/64/657189164.db2.gz FWXGQXDLSIOGGQ-MWLCHTKSSA-N 1 2 292.343 -1.150 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)CN2CC(=O)NC2=O)C1 ZINC001015864969 657189899 /nfs/dbraw/zinc/18/98/99/657189899.db2.gz MPCZOAZHZUKSDT-QMMMGPOBSA-N 1 2 297.315 -2.525 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)CN2CC(=O)NC2=O)C1 ZINC001015864969 657189906 /nfs/dbraw/zinc/18/99/06/657189906.db2.gz MPCZOAZHZUKSDT-QMMMGPOBSA-N 1 2 297.315 -2.525 20 0 CAADLO CC[C@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)c2cnn(C)n2)C1 ZINC001015843367 657191101 /nfs/dbraw/zinc/19/11/01/657191101.db2.gz YYGVCURMRCSCCT-PSASIEDQSA-N 1 2 280.332 -1.117 20 0 CAADLO CC[C@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)c2cnn(C)n2)C1 ZINC001015843367 657191105 /nfs/dbraw/zinc/19/11/05/657191105.db2.gz YYGVCURMRCSCCT-PSASIEDQSA-N 1 2 280.332 -1.117 20 0 CAADLO CN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cnn(C)n2)C1 ZINC001015843332 657191552 /nfs/dbraw/zinc/19/15/52/657191552.db2.gz YUFZFZLPASTKSJ-SECBINFHSA-N 1 2 280.332 -1.293 20 0 CAADLO CN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)c2cnn(C)n2)C1 ZINC001015843332 657191564 /nfs/dbraw/zinc/19/15/64/657191564.db2.gz YUFZFZLPASTKSJ-SECBINFHSA-N 1 2 280.332 -1.293 20 0 CAADLO Cc1nonc1CC(=O)N[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001015926254 657192996 /nfs/dbraw/zinc/19/29/96/657192996.db2.gz NHJPTAFXZHQFRB-MRVPVSSYSA-N 1 2 267.289 -1.404 20 0 CAADLO Cc1nonc1CC(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001015926254 657192999 /nfs/dbraw/zinc/19/29/99/657192999.db2.gz NHJPTAFXZHQFRB-MRVPVSSYSA-N 1 2 267.289 -1.404 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)c2cnon2)C1 ZINC001015876672 657193035 /nfs/dbraw/zinc/19/30/35/657193035.db2.gz NDUMOFHLRXJKQR-BQBZGAKWSA-N 1 2 253.262 -1.253 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)c2cnon2)C1 ZINC001015876672 657193045 /nfs/dbraw/zinc/19/30/45/657193045.db2.gz NDUMOFHLRXJKQR-BQBZGAKWSA-N 1 2 253.262 -1.253 20 0 CAADLO CCC(=O)N1CC[C@@H](C(=O)N[C@H]2CC[N@H+](CC(N)=O)C2)C1 ZINC001015956907 657193196 /nfs/dbraw/zinc/19/31/96/657193196.db2.gz KOUXNJAFOHWGFX-MNOVXSKESA-N 1 2 296.371 -1.079 20 0 CAADLO CCC(=O)N1CC[C@@H](C(=O)N[C@H]2CC[N@@H+](CC(N)=O)C2)C1 ZINC001015956907 657193208 /nfs/dbraw/zinc/19/32/08/657193208.db2.gz KOUXNJAFOHWGFX-MNOVXSKESA-N 1 2 296.371 -1.079 20 0 CAADLO CCn1cc(C(=O)N[C@H]2CC[N@H+](CC(=O)NC)C2)nn1 ZINC001015917522 657193286 /nfs/dbraw/zinc/19/32/86/657193286.db2.gz ZKASWODFAOYLBT-VIFPVBQESA-N 1 2 280.332 -1.152 20 0 CAADLO CCn1cc(C(=O)N[C@H]2CC[N@@H+](CC(=O)NC)C2)nn1 ZINC001015917522 657193292 /nfs/dbraw/zinc/19/32/92/657193292.db2.gz ZKASWODFAOYLBT-VIFPVBQESA-N 1 2 280.332 -1.152 20 0 CAADLO Cn1nnnc1CN1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001015903224 657193361 /nfs/dbraw/zinc/19/33/61/657193361.db2.gz WOVXZHGYDSCERA-VIFPVBQESA-N 1 2 290.331 -1.134 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cc2ncc[nH]2)C1 ZINC001015902823 657193406 /nfs/dbraw/zinc/19/34/06/657193406.db2.gz QEXHEYFNRSFKPJ-SECBINFHSA-N 1 2 265.317 -1.111 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)Cc2ncc[nH]2)C1 ZINC001015902823 657193409 /nfs/dbraw/zinc/19/34/09/657193409.db2.gz QEXHEYFNRSFKPJ-SECBINFHSA-N 1 2 265.317 -1.111 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)CN2CCC(=O)NC2=O)C1 ZINC001015949395 657193551 /nfs/dbraw/zinc/19/35/51/657193551.db2.gz PXZBHFZMFYLNIH-QMMMGPOBSA-N 1 2 297.315 -2.396 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)CN2CCC(=O)NC2=O)C1 ZINC001015949395 657193556 /nfs/dbraw/zinc/19/35/56/657193556.db2.gz PXZBHFZMFYLNIH-QMMMGPOBSA-N 1 2 297.315 -2.396 20 0 CAADLO Cc1nonc1CC(=O)N[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001015926255 657193585 /nfs/dbraw/zinc/19/35/85/657193585.db2.gz NHJPTAFXZHQFRB-QMMMGPOBSA-N 1 2 267.289 -1.404 20 0 CAADLO Cc1nonc1CC(=O)N[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001015926255 657193588 /nfs/dbraw/zinc/19/35/88/657193588.db2.gz NHJPTAFXZHQFRB-QMMMGPOBSA-N 1 2 267.289 -1.404 20 0 CAADLO CCn1cc(C(=O)N[C@@H]2CC[N@H+](CC(=O)NC)C2)nn1 ZINC001015917521 657193600 /nfs/dbraw/zinc/19/36/00/657193600.db2.gz ZKASWODFAOYLBT-SECBINFHSA-N 1 2 280.332 -1.152 20 0 CAADLO CCn1cc(C(=O)N[C@@H]2CC[N@@H+](CC(=O)NC)C2)nn1 ZINC001015917521 657193604 /nfs/dbraw/zinc/19/36/04/657193604.db2.gz ZKASWODFAOYLBT-SECBINFHSA-N 1 2 280.332 -1.152 20 0 CAADLO CN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)c2cnon2)C1 ZINC001015877047 657193661 /nfs/dbraw/zinc/19/36/61/657193661.db2.gz SKBYFPMHYMSUPN-QMMMGPOBSA-N 1 2 267.289 -1.038 20 0 CAADLO CN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)c2cnon2)C1 ZINC001015877047 657193667 /nfs/dbraw/zinc/19/36/67/657193667.db2.gz SKBYFPMHYMSUPN-QMMMGPOBSA-N 1 2 267.289 -1.038 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCCN2C(N)=O)C1 ZINC001015975099 657194342 /nfs/dbraw/zinc/19/43/42/657194342.db2.gz IUEPZSHBKLNFQA-UWVGGRQHSA-N 1 2 297.359 -1.405 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCCN2C(N)=O)C1 ZINC001015975099 657194348 /nfs/dbraw/zinc/19/43/48/657194348.db2.gz IUEPZSHBKLNFQA-UWVGGRQHSA-N 1 2 297.359 -1.405 20 0 CAADLO O=C(Cc1nnc[nH]1)N[C@@H]1CC[N@@H+]([C@H]2CCCNC2=O)C1 ZINC001015967813 657194809 /nfs/dbraw/zinc/19/48/09/657194809.db2.gz NHXGZKXYAOBMFS-ZJUUUORDSA-N 1 2 292.343 -1.184 20 0 CAADLO O=C(Cc1nnc[nH]1)N[C@@H]1CC[N@H+]([C@H]2CCCNC2=O)C1 ZINC001015967813 657194815 /nfs/dbraw/zinc/19/48/15/657194815.db2.gz NHXGZKXYAOBMFS-ZJUUUORDSA-N 1 2 292.343 -1.184 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001016027583 657195208 /nfs/dbraw/zinc/19/52/08/657195208.db2.gz RDDHNMOGYOOWCB-BDAKNGLRSA-N 1 2 268.317 -1.799 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001016027583 657195211 /nfs/dbraw/zinc/19/52/11/657195211.db2.gz RDDHNMOGYOOWCB-BDAKNGLRSA-N 1 2 268.317 -1.799 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCCN2C(N)=O)C1 ZINC001015975100 657195233 /nfs/dbraw/zinc/19/52/33/657195233.db2.gz IUEPZSHBKLNFQA-VHSXEESVSA-N 1 2 297.359 -1.405 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCCCN2C(N)=O)C1 ZINC001015975100 657195240 /nfs/dbraw/zinc/19/52/40/657195240.db2.gz IUEPZSHBKLNFQA-VHSXEESVSA-N 1 2 297.359 -1.405 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)Cc2nc[nH]n2)C1 ZINC001015967828 657195405 /nfs/dbraw/zinc/19/54/05/657195405.db2.gz NQWQEJVACASREY-HTQZYQBOSA-N 1 2 266.305 -1.589 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)Cc2nc[nH]n2)C1 ZINC001015967828 657195411 /nfs/dbraw/zinc/19/54/11/657195411.db2.gz NQWQEJVACASREY-HTQZYQBOSA-N 1 2 266.305 -1.589 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCc3n[nH]nc3C2)C1 ZINC001015994492 657195477 /nfs/dbraw/zinc/19/54/77/657195477.db2.gz WDZKDYFLRYNPDF-BDAKNGLRSA-N 1 2 292.343 -1.415 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCc3n[nH]nc3C2)C1 ZINC001015994492 657195479 /nfs/dbraw/zinc/19/54/79/657195479.db2.gz WDZKDYFLRYNPDF-BDAKNGLRSA-N 1 2 292.343 -1.415 20 0 CAADLO O=C(Cc1nnc[nH]1)N[C@H]1CC[N@@H+]([C@H]2CCCNC2=O)C1 ZINC001015967810 657195517 /nfs/dbraw/zinc/19/55/17/657195517.db2.gz NHXGZKXYAOBMFS-UWVGGRQHSA-N 1 2 292.343 -1.184 20 0 CAADLO O=C(Cc1nnc[nH]1)N[C@H]1CC[N@H+]([C@H]2CCCNC2=O)C1 ZINC001015967810 657195522 /nfs/dbraw/zinc/19/55/22/657195522.db2.gz NHXGZKXYAOBMFS-UWVGGRQHSA-N 1 2 292.343 -1.184 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)Cc2nc[nH]n2)C1 ZINC001015967834 657195910 /nfs/dbraw/zinc/19/59/10/657195910.db2.gz NQWQEJVACASREY-YUMQZZPRSA-N 1 2 266.305 -1.589 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)Cc2nc[nH]n2)C1 ZINC001015967834 657195919 /nfs/dbraw/zinc/19/59/19/657195919.db2.gz NQWQEJVACASREY-YUMQZZPRSA-N 1 2 266.305 -1.589 20 0 CAADLO Cn1cncc1CC(=O)N[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001015996361 657196581 /nfs/dbraw/zinc/19/65/81/657196581.db2.gz JEKBDTSZGPJUBF-SECBINFHSA-N 1 2 265.317 -1.362 20 0 CAADLO Cn1cncc1CC(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001015996361 657196592 /nfs/dbraw/zinc/19/65/92/657196592.db2.gz JEKBDTSZGPJUBF-SECBINFHSA-N 1 2 265.317 -1.362 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+]1CC[C@H](NC(=O)Cc2nc[nH]n2)C1 ZINC001015967198 657197034 /nfs/dbraw/zinc/19/70/34/657197034.db2.gz AFCXCRBFKMLDHO-BDAKNGLRSA-N 1 2 280.332 -1.328 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+]1CC[C@H](NC(=O)Cc2nc[nH]n2)C1 ZINC001015967198 657197039 /nfs/dbraw/zinc/19/70/39/657197039.db2.gz AFCXCRBFKMLDHO-BDAKNGLRSA-N 1 2 280.332 -1.328 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+]1CC[C@H](NC(=O)Cc2nnc[nH]2)C1 ZINC001015967198 657197046 /nfs/dbraw/zinc/19/70/46/657197046.db2.gz AFCXCRBFKMLDHO-BDAKNGLRSA-N 1 2 280.332 -1.328 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+]1CC[C@H](NC(=O)Cc2nnc[nH]2)C1 ZINC001015967198 657197049 /nfs/dbraw/zinc/19/70/49/657197049.db2.gz AFCXCRBFKMLDHO-BDAKNGLRSA-N 1 2 280.332 -1.328 20 0 CAADLO CN1CCCC[C@H](C(=O)N[C@H]2CC[N@H+](CC(N)=O)C2)C1=O ZINC001015983563 657197127 /nfs/dbraw/zinc/19/71/27/657197127.db2.gz FBFCZAPXJFJEGO-WDEREUQCSA-N 1 2 296.371 -1.079 20 0 CAADLO CN1CCCC[C@H](C(=O)N[C@H]2CC[N@@H+](CC(N)=O)C2)C1=O ZINC001015983563 657197130 /nfs/dbraw/zinc/19/71/30/657197130.db2.gz FBFCZAPXJFJEGO-WDEREUQCSA-N 1 2 296.371 -1.079 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCN(C(C)=O)C2)C1 ZINC001016119773 657197824 /nfs/dbraw/zinc/19/78/24/657197824.db2.gz MGPOLPBSPWIWOV-RYUDHWBXSA-N 1 2 296.371 -1.209 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCN(C(C)=O)C2)C1 ZINC001016119773 657197828 /nfs/dbraw/zinc/19/78/28/657197828.db2.gz MGPOLPBSPWIWOV-RYUDHWBXSA-N 1 2 296.371 -1.209 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCN(C(C)=O)C2)C1 ZINC001016119774 657197946 /nfs/dbraw/zinc/19/79/46/657197946.db2.gz MGPOLPBSPWIWOV-VXGBXAGGSA-N 1 2 296.371 -1.209 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCN(C(C)=O)C2)C1 ZINC001016119774 657197953 /nfs/dbraw/zinc/19/79/53/657197953.db2.gz MGPOLPBSPWIWOV-VXGBXAGGSA-N 1 2 296.371 -1.209 20 0 CAADLO CC(=O)N1CCO[C@@H](C(=O)N[C@H]2CC[N@H+](CC(N)=O)C2)C1 ZINC001016145738 657198209 /nfs/dbraw/zinc/19/82/09/657198209.db2.gz SMSYQRXIVQTLBD-WDEREUQCSA-N 1 2 298.343 -2.091 20 0 CAADLO CC(=O)N1CCO[C@@H](C(=O)N[C@H]2CC[N@@H+](CC(N)=O)C2)C1 ZINC001016145738 657198213 /nfs/dbraw/zinc/19/82/13/657198213.db2.gz SMSYQRXIVQTLBD-WDEREUQCSA-N 1 2 298.343 -2.091 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001016032079 657198981 /nfs/dbraw/zinc/19/89/81/657198981.db2.gz VDCNSNHNXGLPPJ-YUMQZZPRSA-N 1 2 254.290 -2.059 20 0 CAADLO CN1C(=O)CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001016143056 657198872 /nfs/dbraw/zinc/19/88/72/657198872.db2.gz ZSZHZODVXKHOFM-ZJUUUORDSA-N 1 2 282.344 -1.327 20 0 CAADLO CN1C(=O)CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001016143056 657198876 /nfs/dbraw/zinc/19/88/76/657198876.db2.gz ZSZHZODVXKHOFM-ZJUUUORDSA-N 1 2 282.344 -1.327 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001016032079 657198989 /nfs/dbraw/zinc/19/89/89/657198989.db2.gz VDCNSNHNXGLPPJ-YUMQZZPRSA-N 1 2 254.290 -2.059 20 0 CAADLO Cc1nn(CC(=O)N[C@H]2CC[N@H+](CC(N)=O)C2)c(=O)n1C ZINC001016139823 657199222 /nfs/dbraw/zinc/19/92/22/657199222.db2.gz DWRSRFNIOOAXOP-VIFPVBQESA-N 1 2 296.331 -2.434 20 0 CAADLO Cc1nn(CC(=O)N[C@H]2CC[N@@H+](CC(N)=O)C2)c(=O)n1C ZINC001016139823 657199225 /nfs/dbraw/zinc/19/92/25/657199225.db2.gz DWRSRFNIOOAXOP-VIFPVBQESA-N 1 2 296.331 -2.434 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)CN2C(=O)CNC2=O)C1 ZINC001016200340 657200689 /nfs/dbraw/zinc/20/06/89/657200689.db2.gz UXQRPNLIFWXFMP-QMMMGPOBSA-N 1 2 297.315 -2.525 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)CN2C(=O)CNC2=O)C1 ZINC001016200340 657200693 /nfs/dbraw/zinc/20/06/93/657200693.db2.gz UXQRPNLIFWXFMP-QMMMGPOBSA-N 1 2 297.315 -2.525 20 0 CAADLO O=C(Cn1cncn1)N[C@@H]1CC[N@@H+](CC(=O)NC2CC2)C1 ZINC001016185049 657201909 /nfs/dbraw/zinc/20/19/09/657201909.db2.gz ADFQHZKARKNSHK-LLVKDONJSA-N 1 2 292.343 -1.253 20 0 CAADLO O=C(Cn1cncn1)N[C@@H]1CC[N@H+](CC(=O)NC2CC2)C1 ZINC001016185049 657201912 /nfs/dbraw/zinc/20/19/12/657201912.db2.gz ADFQHZKARKNSHK-LLVKDONJSA-N 1 2 292.343 -1.253 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)CN2C(=O)CCC2=O)C1 ZINC001016210098 657202793 /nfs/dbraw/zinc/20/27/93/657202793.db2.gz WMJGDLLGCZHZQP-QMMMGPOBSA-N 1 2 282.300 -2.189 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)CN2C(=O)CCC2=O)C1 ZINC001016210098 657202803 /nfs/dbraw/zinc/20/28/03/657202803.db2.gz WMJGDLLGCZHZQP-QMMMGPOBSA-N 1 2 282.300 -2.189 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cn2ccccc2=O)C1 ZINC001016217640 657203929 /nfs/dbraw/zinc/20/39/29/657203929.db2.gz SARHWGSPQRZGKF-SNVBAGLBSA-N 1 2 278.312 -1.476 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)Cn2ccccc2=O)C1 ZINC001016217640 657203938 /nfs/dbraw/zinc/20/39/38/657203938.db2.gz SARHWGSPQRZGKF-SNVBAGLBSA-N 1 2 278.312 -1.476 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2c[nH]c(C(N)=O)c2)C1 ZINC001016273832 657205283 /nfs/dbraw/zinc/20/52/83/657205283.db2.gz YLOYFUORRSTBAR-MRVPVSSYSA-N 1 2 279.300 -1.597 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)c2c[nH]c(C(N)=O)c2)C1 ZINC001016273832 657205288 /nfs/dbraw/zinc/20/52/88/657205288.db2.gz YLOYFUORRSTBAR-MRVPVSSYSA-N 1 2 279.300 -1.597 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2c[nH]c(C(N)=O)c2)C1 ZINC001016267377 657205403 /nfs/dbraw/zinc/20/54/03/657205403.db2.gz TZUXYQBQGKGXMX-VIFPVBQESA-N 1 2 293.327 -1.336 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)c2c[nH]c(C(N)=O)c2)C1 ZINC001016267377 657205409 /nfs/dbraw/zinc/20/54/09/657205409.db2.gz TZUXYQBQGKGXMX-VIFPVBQESA-N 1 2 293.327 -1.336 20 0 CAADLO CC(=O)N1CCOC[C@@H]1C(=O)N[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001016295841 657205678 /nfs/dbraw/zinc/20/56/78/657205678.db2.gz WWWLTWWRURUAJW-GHMZBOCLSA-N 1 2 298.343 -2.091 20 0 CAADLO CC(=O)N1CCOC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001016295841 657205685 /nfs/dbraw/zinc/20/56/85/657205685.db2.gz WWWLTWWRURUAJW-GHMZBOCLSA-N 1 2 298.343 -2.091 20 0 CAADLO O=C(N[C@H]1CC[N@@H+](CCF)C1)[C@H]1CCS(=O)(=O)N1 ZINC001016283821 657205844 /nfs/dbraw/zinc/20/58/44/657205844.db2.gz OLWUGEYNLBDKHB-DTWKUNHWSA-N 1 2 279.337 -1.162 20 0 CAADLO O=C(N[C@H]1CC[N@H+](CCF)C1)[C@H]1CCS(=O)(=O)N1 ZINC001016283821 657205847 /nfs/dbraw/zinc/20/58/47/657205847.db2.gz OLWUGEYNLBDKHB-DTWKUNHWSA-N 1 2 279.337 -1.162 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCc3nncn3C2)C1 ZINC001016332288 657206077 /nfs/dbraw/zinc/20/60/77/657206077.db2.gz QRGOEXLDSIIVOU-NXEZZACHSA-N 1 2 292.343 -1.484 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCc3nncn3C2)C1 ZINC001016332288 657206083 /nfs/dbraw/zinc/20/60/83/657206083.db2.gz QRGOEXLDSIIVOU-NXEZZACHSA-N 1 2 292.343 -1.484 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCc3nncn3C2)C1 ZINC001016332291 657206186 /nfs/dbraw/zinc/20/61/86/657206186.db2.gz QRGOEXLDSIIVOU-UWVGGRQHSA-N 1 2 292.343 -1.484 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCc3nncn3C2)C1 ZINC001016332291 657206191 /nfs/dbraw/zinc/20/61/91/657206191.db2.gz QRGOEXLDSIIVOU-UWVGGRQHSA-N 1 2 292.343 -1.484 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)c2c[nH]c(C(N)=O)c2)C1 ZINC001016261916 657206533 /nfs/dbraw/zinc/20/65/33/657206533.db2.gz ARKIIZFBEBICQU-VXNVDRBHSA-N 1 2 293.327 -1.209 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)c2c[nH]c(C(N)=O)c2)C1 ZINC001016261916 657206540 /nfs/dbraw/zinc/20/65/40/657206540.db2.gz ARKIIZFBEBICQU-VXNVDRBHSA-N 1 2 293.327 -1.209 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC(=O)N(C)C2)C1 ZINC001016348718 657207870 /nfs/dbraw/zinc/20/78/70/657207870.db2.gz QKRRFLUCZCQGRX-MNOVXSKESA-N 1 2 296.371 -1.209 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC(=O)N(C)C2)C1 ZINC001016348718 657207875 /nfs/dbraw/zinc/20/78/75/657207875.db2.gz QKRRFLUCZCQGRX-MNOVXSKESA-N 1 2 296.371 -1.209 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCN2C(N)=O)C1 ZINC001016408775 657207931 /nfs/dbraw/zinc/20/79/31/657207931.db2.gz OANRHRJVGHAAMZ-BDAKNGLRSA-N 1 2 283.332 -1.795 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCN2C(N)=O)C1 ZINC001016408775 657207938 /nfs/dbraw/zinc/20/79/38/657207938.db2.gz OANRHRJVGHAAMZ-BDAKNGLRSA-N 1 2 283.332 -1.795 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCN2C(N)=O)C1 ZINC001016407992 657208001 /nfs/dbraw/zinc/20/80/01/657208001.db2.gz HBMPCAPDTVNXPY-ZJUUUORDSA-N 1 2 297.359 -1.534 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCN2C(N)=O)C1 ZINC001016407992 657208007 /nfs/dbraw/zinc/20/80/07/657208007.db2.gz HBMPCAPDTVNXPY-ZJUUUORDSA-N 1 2 297.359 -1.534 20 0 CAADLO CC(=O)N1CCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001016361003 657208022 /nfs/dbraw/zinc/20/80/22/657208022.db2.gz VPHJIIJQHBXCFD-WDEREUQCSA-N 1 2 282.344 -1.327 20 0 CAADLO CC(=O)N1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001016361003 657208027 /nfs/dbraw/zinc/20/80/27/657208027.db2.gz VPHJIIJQHBXCFD-WDEREUQCSA-N 1 2 282.344 -1.327 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCN2C(N)=O)C1 ZINC001016408776 657208487 /nfs/dbraw/zinc/20/84/87/657208487.db2.gz OANRHRJVGHAAMZ-IUCAKERBSA-N 1 2 283.332 -1.795 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCN2C(N)=O)C1 ZINC001016408776 657208489 /nfs/dbraw/zinc/20/84/89/657208489.db2.gz OANRHRJVGHAAMZ-IUCAKERBSA-N 1 2 283.332 -1.795 20 0 CAADLO CN1C[C@H](C(=O)N[C@H]2CC[N@H+](CC(N)=O)C2)CCC1=O ZINC001016352564 657208502 /nfs/dbraw/zinc/20/85/02/657208502.db2.gz GKABLOQAAYIBKS-ZJUUUORDSA-N 1 2 282.344 -1.469 20 0 CAADLO CN1C[C@H](C(=O)N[C@H]2CC[N@@H+](CC(N)=O)C2)CCC1=O ZINC001016352564 657208505 /nfs/dbraw/zinc/20/85/05/657208505.db2.gz GKABLOQAAYIBKS-ZJUUUORDSA-N 1 2 282.344 -1.469 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC(=O)N(C)C2)C1 ZINC001016348937 657208797 /nfs/dbraw/zinc/20/87/97/657208797.db2.gz QKRRFLUCZCQGRX-QWRGUYRKSA-N 1 2 296.371 -1.209 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCC(=O)N(C)C2)C1 ZINC001016348937 657208803 /nfs/dbraw/zinc/20/88/03/657208803.db2.gz QKRRFLUCZCQGRX-QWRGUYRKSA-N 1 2 296.371 -1.209 20 0 CAADLO NC(=O)CN1CC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001016398691 657208892 /nfs/dbraw/zinc/20/88/92/657208892.db2.gz VYQIDIQYWSLDLN-VIFPVBQESA-N 1 2 251.290 -1.441 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ccc(C(N)=O)nc2)C1 ZINC001016400177 657208919 /nfs/dbraw/zinc/20/89/19/657208919.db2.gz ULLFSAMXZBYQKM-SECBINFHSA-N 1 2 291.311 -1.530 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)c2ccc(C(N)=O)nc2)C1 ZINC001016400177 657208924 /nfs/dbraw/zinc/20/89/24/657208924.db2.gz ULLFSAMXZBYQKM-SECBINFHSA-N 1 2 291.311 -1.530 20 0 CAADLO CN1C[C@H](C(=O)N[C@@H]2CC[N@H+](CC(N)=O)C2)CCC1=O ZINC001016352554 657209171 /nfs/dbraw/zinc/20/91/71/657209171.db2.gz GKABLOQAAYIBKS-NXEZZACHSA-N 1 2 282.344 -1.469 20 0 CAADLO CN1C[C@H](C(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C2)CCC1=O ZINC001016352554 657209180 /nfs/dbraw/zinc/20/91/80/657209180.db2.gz GKABLOQAAYIBKS-NXEZZACHSA-N 1 2 282.344 -1.469 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCC(=O)N(C)C2)C1 ZINC001016348717 657209308 /nfs/dbraw/zinc/20/93/08/657209308.db2.gz QKRRFLUCZCQGRX-GHMZBOCLSA-N 1 2 296.371 -1.209 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCC(=O)N(C)C2)C1 ZINC001016348717 657209312 /nfs/dbraw/zinc/20/93/12/657209312.db2.gz QKRRFLUCZCQGRX-GHMZBOCLSA-N 1 2 296.371 -1.209 20 0 CAADLO Cn1cc(C(=O)N[C@@H]2CC[N@H+](CC(N)=O)C2)n(C)c1=O ZINC001016354612 657209644 /nfs/dbraw/zinc/20/96/44/657209644.db2.gz PMQIBLCXHXNCBL-MRVPVSSYSA-N 1 2 281.316 -1.987 20 0 CAADLO Cn1cc(C(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C2)n(C)c1=O ZINC001016354612 657209650 /nfs/dbraw/zinc/20/96/50/657209650.db2.gz PMQIBLCXHXNCBL-MRVPVSSYSA-N 1 2 281.316 -1.987 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCN2C(N)=O)C1 ZINC001016407989 657209733 /nfs/dbraw/zinc/20/97/33/657209733.db2.gz HBMPCAPDTVNXPY-UWVGGRQHSA-N 1 2 297.359 -1.534 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCN2C(N)=O)C1 ZINC001016407989 657209740 /nfs/dbraw/zinc/20/97/40/657209740.db2.gz HBMPCAPDTVNXPY-UWVGGRQHSA-N 1 2 297.359 -1.534 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)C[C@H]2CC(=O)NC2=O)C1 ZINC001016432283 657210320 /nfs/dbraw/zinc/21/03/20/657210320.db2.gz VNGCCUULKCGPCK-YUMQZZPRSA-N 1 2 282.300 -2.285 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)C[C@H]2CC(=O)NC2=O)C1 ZINC001016432283 657210327 /nfs/dbraw/zinc/21/03/27/657210327.db2.gz VNGCCUULKCGPCK-YUMQZZPRSA-N 1 2 282.300 -2.285 20 0 CAADLO C[C@@H](C(=O)N[C@H]1CC[N@H+](CC(N)=O)C1)N1CCOCC1 ZINC001016435880 657210346 /nfs/dbraw/zinc/21/03/46/657210346.db2.gz HUYUDCCZADOMOS-QWRGUYRKSA-N 1 2 284.360 -1.617 20 0 CAADLO C[C@@H](C(=O)N[C@H]1CC[N@@H+](CC(N)=O)C1)N1CCOCC1 ZINC001016435880 657210349 /nfs/dbraw/zinc/21/03/49/657210349.db2.gz HUYUDCCZADOMOS-QWRGUYRKSA-N 1 2 284.360 -1.617 20 0 CAADLO C[C@@H](C(=O)N[C@@H]1CC[N@H+](CC(N)=O)C1)N1CCOCC1 ZINC001016435885 657211358 /nfs/dbraw/zinc/21/13/58/657211358.db2.gz HUYUDCCZADOMOS-WDEREUQCSA-N 1 2 284.360 -1.617 20 0 CAADLO C[C@@H](C(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C1)N1CCOCC1 ZINC001016435885 657211364 /nfs/dbraw/zinc/21/13/64/657211364.db2.gz HUYUDCCZADOMOS-WDEREUQCSA-N 1 2 284.360 -1.617 20 0 CAADLO Cn1nnnc1C[NH+]1CCC2(C[C@H]2NC(=O)C(N)=O)CC1 ZINC001016798830 657212584 /nfs/dbraw/zinc/21/25/84/657212584.db2.gz FCUXPXGUPFZAEQ-MRVPVSSYSA-N 1 2 293.331 -1.834 20 0 CAADLO Cn1cnnc1C[NH+]1CCC2(C[C@@H]2NC(=O)C(N)=O)CC1 ZINC001016801545 657212826 /nfs/dbraw/zinc/21/28/26/657212826.db2.gz YFTKJPQHMVRGHT-VIFPVBQESA-N 1 2 292.343 -1.229 20 0 CAADLO CN(C(=O)Cc1c[nH+]cn1C)C1CC(NC(=O)C(N)=O)C1 ZINC001016765086 657212973 /nfs/dbraw/zinc/21/29/73/657212973.db2.gz YUNIILITRMUJRQ-UHFFFAOYSA-N 1 2 293.327 -1.447 20 0 CAADLO Cn1nnnc1C[NH+]1CCC2(C[C@@H]2NC(=O)C(N)=O)CC1 ZINC001016798831 657213538 /nfs/dbraw/zinc/21/35/38/657213538.db2.gz FCUXPXGUPFZAEQ-QMMMGPOBSA-N 1 2 293.331 -1.834 20 0 CAADLO Cn1ncnc1C[NH+]1CCC2(C[C@@H]2NC(=O)C(N)=O)CC1 ZINC001016798809 657213578 /nfs/dbraw/zinc/21/35/78/657213578.db2.gz DSSFLNBUNGOJME-VIFPVBQESA-N 1 2 292.343 -1.229 20 0 CAADLO CN(C(=O)Cn1cc[nH+]c1)C1CC(NC(=O)C(N)=O)C1 ZINC001016685567 657213588 /nfs/dbraw/zinc/21/35/88/657213588.db2.gz UWEJEPAUZBZBMC-UHFFFAOYSA-N 1 2 279.300 -1.526 20 0 CAADLO NC(=O)C[NH+]1CCC2(C[C@@H]2NC(=O)Cc2nnc[nH]2)CC1 ZINC001016914296 657215311 /nfs/dbraw/zinc/21/53/11/657215311.db2.gz AYEKTDUHQGTGEJ-VIFPVBQESA-N 1 2 292.343 -1.197 20 0 CAADLO CN(C(=O)C(N)=O)C1CC(NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001016950787 657215780 /nfs/dbraw/zinc/21/57/80/657215780.db2.gz SBHDXNBIJBBKKZ-UHFFFAOYSA-N 1 2 279.300 -1.457 20 0 CAADLO CN(C(=O)C(N)=O)C1CC(NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001016952281 657216295 /nfs/dbraw/zinc/21/62/95/657216295.db2.gz VNSLAUAZUMGBFD-UHFFFAOYSA-N 1 2 279.300 -1.457 20 0 CAADLO CN1CC[C@H]([N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)CC(N)=O)C1=O ZINC001017430380 657220174 /nfs/dbraw/zinc/22/01/74/657220174.db2.gz QWVPGHJFXJOPHI-AXFHLTTASA-N 1 2 294.355 -1.232 20 0 CAADLO CN1CC[C@H]([N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)CC(N)=O)C1=O ZINC001017430380 657220178 /nfs/dbraw/zinc/22/01/78/657220178.db2.gz QWVPGHJFXJOPHI-AXFHLTTASA-N 1 2 294.355 -1.232 20 0 CAADLO C[C@@H]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)CN1C(=O)C(N)=O ZINC001018368070 657226846 /nfs/dbraw/zinc/22/68/46/657226846.db2.gz PBNMPOYMJGAHAP-BDAKNGLRSA-N 1 2 293.327 -1.067 20 0 CAADLO C[C@@H]1CC[C@H](NC(=O)C(N)=O)CN1C(=O)Cc1c[nH+]c[nH]1 ZINC001018378393 657228904 /nfs/dbraw/zinc/22/89/04/657228904.db2.gz JJJIPXASJWIOPX-BDAKNGLRSA-N 1 2 293.327 -1.067 20 0 CAADLO Cc1nnc(C[NH2+][C@H]2CCN(C(=O)Cn3cnnn3)C2)o1 ZINC001018480688 657229221 /nfs/dbraw/zinc/22/92/21/657229221.db2.gz WYYASOSQQDNSHM-VIFPVBQESA-N 1 2 292.303 -1.245 20 0 CAADLO C[C@@H]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)CN1C(=O)C(N)=O ZINC001018443507 657229278 /nfs/dbraw/zinc/22/92/78/657229278.db2.gz WRFOUJSFPMBAEI-BDAKNGLRSA-N 1 2 293.327 -1.067 20 0 CAADLO O=C(Cn1cnnn1)N1CC[C@H]([NH2+]Cc2nncs2)C1 ZINC001018479078 657229305 /nfs/dbraw/zinc/22/93/05/657229305.db2.gz ABVNQJVMVGQHCT-QMMMGPOBSA-N 1 2 294.344 -1.085 20 0 CAADLO C[C@@H]1CC[C@H](NC(=O)C(N)=O)CN1C(=O)Cn1cc[nH+]c1 ZINC001018380211 657229952 /nfs/dbraw/zinc/22/99/52/657229952.db2.gz QIYSWDDMIMSCAP-ZJUUUORDSA-N 1 2 293.327 -1.136 20 0 CAADLO C[C@H]1CC[C@H](NC(=O)C(N)=O)CN1C(=O)Cc1c[nH+]c[nH]1 ZINC001018378397 657230076 /nfs/dbraw/zinc/23/00/76/657230076.db2.gz JJJIPXASJWIOPX-IUCAKERBSA-N 1 2 293.327 -1.067 20 0 CAADLO C[C@H]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)CN1C(=O)C(N)=O ZINC001018443508 657230769 /nfs/dbraw/zinc/23/07/69/657230769.db2.gz WRFOUJSFPMBAEI-DTWKUNHWSA-N 1 2 293.327 -1.067 20 0 CAADLO Cn1[nH]c(C[NH2+][C@H]2CCN(C(=O)[C@H]3CCOC3)C2)nc1=O ZINC001018593534 657231397 /nfs/dbraw/zinc/23/13/97/657231397.db2.gz NHECFPWPRIQMHP-UWVGGRQHSA-N 1 2 295.343 -1.165 20 0 CAADLO O=C(Cn1cnnn1)N1CC[C@H]([NH2+]Cc2cnsn2)C1 ZINC001018480752 657232957 /nfs/dbraw/zinc/23/29/57/657232957.db2.gz YMEFHXWTHRMCDI-QMMMGPOBSA-N 1 2 294.344 -1.085 20 0 CAADLO CN(C)c1noc(C[NH2+][C@H]2CCN(C(=O)CC(N)=O)C2)n1 ZINC001018648370 657236578 /nfs/dbraw/zinc/23/65/78/657236578.db2.gz FHLCKDZZZWIVHG-QMMMGPOBSA-N 1 2 296.331 -1.299 20 0 CAADLO Cc1noc(C[NH2+][C@H]2CCN(C(=O)Cn3ncnn3)C2)n1 ZINC001018850529 657248702 /nfs/dbraw/zinc/24/87/02/657248702.db2.gz WRGUJRZXMKINSC-VIFPVBQESA-N 1 2 292.303 -1.245 20 0 CAADLO Cn1[nH]c(C[NH2+][C@H]2CCN(C(=O)c3cn[nH]n3)C2)nc1=O ZINC001019080039 657253258 /nfs/dbraw/zinc/25/32/58/657253258.db2.gz UKMUWYLFLRTRIC-ZETCQYMHSA-N 1 2 292.303 -1.769 20 0 CAADLO CCn1ncc(C[NH2+][C@H]2CCN(C(=O)C(N)=O)C2)n1 ZINC001019313208 657259520 /nfs/dbraw/zinc/25/95/20/657259520.db2.gz IRENILCFIVVBQS-QMMMGPOBSA-N 1 2 266.305 -1.526 20 0 CAADLO Cc1ccnc(C[NH2+][C@H]2CCN(C(=O)C(N)=O)C2)n1 ZINC001019313207 657260059 /nfs/dbraw/zinc/26/00/59/657260059.db2.gz IPGJRUKWZPMVMY-VIFPVBQESA-N 1 2 263.301 -1.039 20 0 CAADLO Cc1noc(C[NH2+][C@H]2CCN(C(=O)[C@H]3CNC(=O)N3)C2)n1 ZINC001019307523 657260513 /nfs/dbraw/zinc/26/05/13/657260513.db2.gz JHCQLDNYMYXXPQ-DTWKUNHWSA-N 1 2 294.315 -1.250 20 0 CAADLO Cc1cnc(C[NH2+][C@H]2CCN(C(=O)C(N)=O)C2)nc1 ZINC001019313522 657261787 /nfs/dbraw/zinc/26/17/87/657261787.db2.gz YOCJMOUBFIUSEO-VIFPVBQESA-N 1 2 263.301 -1.039 20 0 CAADLO CC(C)(C)n1nnnc1C[NH2+][C@H]1CCN(C(=O)C(N)=O)C1 ZINC001019313439 657262104 /nfs/dbraw/zinc/26/21/04/657262104.db2.gz UFEGUXROUPJGCJ-QMMMGPOBSA-N 1 2 295.347 -1.396 20 0 CAADLO O=C([C@H]1CNC(=O)N1)N1CC[C@H]([NH2+]Cc2cnsn2)C1 ZINC001019309237 657262510 /nfs/dbraw/zinc/26/25/10/657262510.db2.gz TYFBRFWRKOWPQS-IONNQARKSA-N 1 2 296.356 -1.090 20 0 CAADLO NC(=O)C(=O)N1CC[C@H]([NH2+]Cc2nnc(C3CC3)[nH]2)C1 ZINC001019313217 657262690 /nfs/dbraw/zinc/26/26/90/657262690.db2.gz JHUCPSWJGBGOPN-QMMMGPOBSA-N 1 2 278.316 -1.142 20 0 CAADLO CCn1nc(C)c(C[NH2+][C@H]2CCN(C(=O)C(N)=O)C2)n1 ZINC001019314639 657263021 /nfs/dbraw/zinc/26/30/21/657263021.db2.gz WRYWRIPMESSWJR-VIFPVBQESA-N 1 2 280.332 -1.218 20 0 CAADLO C[C@@H]([NH2+][C@H]1CCN(C(=O)C(N)=O)C1)c1nnnn1C1CC1 ZINC001019314665 657263213 /nfs/dbraw/zinc/26/32/13/657263213.db2.gz YDSWPOQEOLUULI-SFYZADRCSA-N 1 2 293.331 -1.255 20 0 CAADLO C[C@H]([NH2+][C@H]1CCN(C(=O)C(N)=O)C1)c1nnnn1C1CC1 ZINC001019314666 657263676 /nfs/dbraw/zinc/26/36/76/657263676.db2.gz YDSWPOQEOLUULI-YUMQZZPRSA-N 1 2 293.331 -1.255 20 0 CAADLO Cn1nnc(CN[C@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C2)n1 ZINC001019436945 657267121 /nfs/dbraw/zinc/26/71/21/657267121.db2.gz AUAYLKWGUKBOJH-VIFPVBQESA-N 1 2 290.331 -1.134 20 0 CAADLO Cn1[nH]c(C[NH2+][C@H]2CCN(C(=O)c3cnon3)C2)nc1=O ZINC001019543641 657272505 /nfs/dbraw/zinc/27/25/05/657272505.db2.gz RVBVHWDQIPXIIL-ZETCQYMHSA-N 1 2 293.287 -1.504 20 0 CAADLO Cn1[nH]c(C[NH2+][C@H]2CCN(C(=O)c3nc[nH]n3)C2)nc1=O ZINC001019538016 657273414 /nfs/dbraw/zinc/27/34/14/657273414.db2.gz JRTCHKJVTXRGKP-ZETCQYMHSA-N 1 2 292.303 -1.769 20 0 CAADLO CN1CC[C@H]([NH2+][C@H]2CCN(C(=O)Cc3ncn[nH]3)C2)C1=O ZINC001019628987 657275439 /nfs/dbraw/zinc/27/54/39/657275439.db2.gz ATYCSENKBNMWDU-UWVGGRQHSA-N 1 2 292.343 -1.232 20 0 CAADLO CC[C@H]([NH2+][C@H]1CCN(C(=O)Cc2ncn[nH]2)C1)C(N)=O ZINC001019629416 657276315 /nfs/dbraw/zinc/27/63/15/657276315.db2.gz LCKYLJZXYTWSSM-IUCAKERBSA-N 1 2 280.332 -1.198 20 0 CAADLO O=C(Cc1ncn[nH]1)N1CC[C@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001019629883 657276475 /nfs/dbraw/zinc/27/64/75/657276475.db2.gz SMVRWFREAUREFU-DTWKUNHWSA-N 1 2 278.316 -1.574 20 0 CAADLO O=C(Cc1ncn[nH]1)N1CC[C@H]([NH2+][C@H]2CCCNC2=O)C1 ZINC001019629739 657276597 /nfs/dbraw/zinc/27/65/97/657276597.db2.gz QFDTZFZJKOSGKG-UWVGGRQHSA-N 1 2 292.343 -1.184 20 0 CAADLO Cn1nncc1C[NH2+][C@H]1CCN(C(=O)Cc2ncn[nH]2)C1 ZINC001019629013 657276781 /nfs/dbraw/zinc/27/67/81/657276781.db2.gz CDYXJXAINXPDSZ-VIFPVBQESA-N 1 2 290.331 -1.134 20 0 CAADLO Cn1nnc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CCOC3)C2)n1 ZINC001020015638 657282917 /nfs/dbraw/zinc/28/29/17/657282917.db2.gz FIUPTLHFIHSFBC-OPRDCNLKSA-N 1 2 280.332 -1.017 20 0 CAADLO Cn1cnc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3nnn(C)n3)C2)c1 ZINC001020070304 657286852 /nfs/dbraw/zinc/28/68/52/657286852.db2.gz RWLDJELOPVVSEE-KYZUINATSA-N 1 2 290.331 -1.006 20 0 CAADLO Cn1cnc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3nnn(C)n3)C2)n1 ZINC001020127413 657287477 /nfs/dbraw/zinc/28/74/77/657287477.db2.gz IIKDUZZGVVWRBJ-ZKCHVHJHSA-N 1 2 291.319 -1.611 20 0 CAADLO C[C@H]1[C@@H](NC(=O)C(N)=O)CCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001020145652 657289671 /nfs/dbraw/zinc/28/96/71/657289671.db2.gz ITFAHTCIIKQPJE-LPEHRKFASA-N 1 2 298.343 -2.092 20 0 CAADLO C[C@H]1[C@@H](NC(=O)C(N)=O)CCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001020145652 657289677 /nfs/dbraw/zinc/28/96/77/657289677.db2.gz ITFAHTCIIKQPJE-LPEHRKFASA-N 1 2 298.343 -2.092 20 0 CAADLO NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCNC1=O)C2 ZINC001095569413 782191429 /nfs/dbraw/zinc/19/14/29/782191429.db2.gz REPCJOGQKSLCPQ-RCWTZXSCSA-N 1 2 294.355 -1.281 20 0 CAADLO NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCNC1=O)C2 ZINC001095569413 782191433 /nfs/dbraw/zinc/19/14/33/782191433.db2.gz REPCJOGQKSLCPQ-RCWTZXSCSA-N 1 2 294.355 -1.281 20 0 CAADLO NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1CCNC1=O)C2 ZINC001095526462 782191539 /nfs/dbraw/zinc/19/15/39/782191539.db2.gz JWIXNJPHKKMKLR-ZNSHCXBVSA-N 1 2 294.355 -1.281 20 0 CAADLO NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1CCNC1=O)C2 ZINC001095526462 782191544 /nfs/dbraw/zinc/19/15/44/782191544.db2.gz JWIXNJPHKKMKLR-ZNSHCXBVSA-N 1 2 294.355 -1.281 20 0 CAADLO NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC(=O)NC1)C2 ZINC001095664565 782191573 /nfs/dbraw/zinc/19/15/73/782191573.db2.gz DQPXNJSEYRQXMB-ZNSHCXBVSA-N 1 2 294.355 -1.281 20 0 CAADLO NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC(=O)NC1)C2 ZINC001095664565 782191579 /nfs/dbraw/zinc/19/15/79/782191579.db2.gz DQPXNJSEYRQXMB-ZNSHCXBVSA-N 1 2 294.355 -1.281 20 0 CAADLO CNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(C(N)=O)CC1)C2 ZINC001110966079 782193337 /nfs/dbraw/zinc/19/33/37/782193337.db2.gz VSNTUXUJRUFVHL-BBBLOLIVSA-N 1 2 294.355 -1.281 20 0 CAADLO CNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(C(N)=O)CC1)C2 ZINC001110966079 782193343 /nfs/dbraw/zinc/19/33/43/782193343.db2.gz VSNTUXUJRUFVHL-BBBLOLIVSA-N 1 2 294.355 -1.281 20 0 CAADLO NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCn1cnnn1)C2 ZINC001111181566 782196520 /nfs/dbraw/zinc/19/65/20/782196520.db2.gz CQAIXZZMEYUFOK-BBBLOLIVSA-N 1 2 293.331 -1.730 20 0 CAADLO NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCn1cnnn1)C2 ZINC001111181566 782196525 /nfs/dbraw/zinc/19/65/25/782196525.db2.gz CQAIXZZMEYUFOK-BBBLOLIVSA-N 1 2 293.331 -1.730 20 0 CAADLO C[N@@H+]1CCN(C(=O)[C@H]2CCCC(=O)N2)C[C@H]1CO ZINC000687591812 782197380 /nfs/dbraw/zinc/19/73/80/782197380.db2.gz NPTCNPPKTDMFCO-VHSXEESVSA-N 1 2 255.318 -1.210 20 0 CAADLO C[N@H+]1CCN(C(=O)[C@H]2CCCC(=O)N2)C[C@H]1CO ZINC000687591812 782197384 /nfs/dbraw/zinc/19/73/84/782197384.db2.gz NPTCNPPKTDMFCO-VHSXEESVSA-N 1 2 255.318 -1.210 20 0 CAADLO C[C@H](C(=O)N1CC[N@H+](C)[C@H](CO)C1)n1cncn1 ZINC000687598416 782197763 /nfs/dbraw/zinc/19/77/63/782197763.db2.gz OFQGEDITPQEWEZ-ZJUUUORDSA-N 1 2 253.306 -1.026 20 0 CAADLO C[C@H](C(=O)N1CC[N@@H+](C)[C@H](CO)C1)n1cncn1 ZINC000687598416 782197771 /nfs/dbraw/zinc/19/77/71/782197771.db2.gz OFQGEDITPQEWEZ-ZJUUUORDSA-N 1 2 253.306 -1.026 20 0 CAADLO CCN1C[C@H](C(=O)N2CC[N@H+](C)[C@H](CO)C2)CC1=O ZINC000687595697 782198035 /nfs/dbraw/zinc/19/80/35/782198035.db2.gz HGEZLQQWOQUQPK-MNOVXSKESA-N 1 2 269.345 -1.010 20 0 CAADLO CCN1C[C@H](C(=O)N2CC[N@@H+](C)[C@H](CO)C2)CC1=O ZINC000687595697 782198039 /nfs/dbraw/zinc/19/80/39/782198039.db2.gz HGEZLQQWOQUQPK-MNOVXSKESA-N 1 2 269.345 -1.010 20 0 CAADLO CN1N=C(C(=O)N2CC[N@H+](C)[C@H](CO)C2)CCC1=O ZINC000687595217 782198179 /nfs/dbraw/zinc/19/81/79/782198179.db2.gz VEGOMSZXOFEXDN-VIFPVBQESA-N 1 2 268.317 -1.271 20 0 CAADLO CN1N=C(C(=O)N2CC[N@@H+](C)[C@H](CO)C2)CCC1=O ZINC000687595217 782198182 /nfs/dbraw/zinc/19/81/82/782198182.db2.gz VEGOMSZXOFEXDN-VIFPVBQESA-N 1 2 268.317 -1.271 20 0 CAADLO C[C@H](C(=O)N1CC[N@H+](C)[C@@H](CO)C1)n1cncn1 ZINC000687598404 782198358 /nfs/dbraw/zinc/19/83/58/782198358.db2.gz OFQGEDITPQEWEZ-NXEZZACHSA-N 1 2 253.306 -1.026 20 0 CAADLO C[C@H](C(=O)N1CC[N@@H+](C)[C@@H](CO)C1)n1cncn1 ZINC000687598404 782198363 /nfs/dbraw/zinc/19/83/63/782198363.db2.gz OFQGEDITPQEWEZ-NXEZZACHSA-N 1 2 253.306 -1.026 20 0 CAADLO C[N@@H+]1CCN(C(=O)[C@@H]2CCCN(C(N)=O)C2)C[C@H]1CO ZINC000687595619 782198486 /nfs/dbraw/zinc/19/84/86/782198486.db2.gz FIRNORPMLBOLGR-MNOVXSKESA-N 1 2 284.360 -1.088 20 0 CAADLO C[N@H+]1CCN(C(=O)[C@@H]2CCCN(C(N)=O)C2)C[C@H]1CO ZINC000687595619 782198496 /nfs/dbraw/zinc/19/84/96/782198496.db2.gz FIRNORPMLBOLGR-MNOVXSKESA-N 1 2 284.360 -1.088 20 0 CAADLO C[C@@H](C(=O)N1CC[N@H+](C)[C@@H](CO)C1)n1cncn1 ZINC000687598412 782198074 /nfs/dbraw/zinc/19/80/74/782198074.db2.gz OFQGEDITPQEWEZ-VHSXEESVSA-N 1 2 253.306 -1.026 20 0 CAADLO C[C@@H](C(=O)N1CC[N@@H+](C)[C@@H](CO)C1)n1cncn1 ZINC000687598412 782198080 /nfs/dbraw/zinc/19/80/80/782198080.db2.gz OFQGEDITPQEWEZ-VHSXEESVSA-N 1 2 253.306 -1.026 20 0 CAADLO C[C@H]1C[C@H](NC(=O)c2cn[nH]n2)CC[N@@H+]1CC(N)=O ZINC000947485207 782199374 /nfs/dbraw/zinc/19/93/74/782199374.db2.gz WGWNLMKIXCTZNV-JGVFFNPUSA-N 1 2 266.305 -1.127 20 0 CAADLO C[C@H]1C[C@H](NC(=O)c2cn[nH]n2)CC[N@H+]1CC(N)=O ZINC000947485207 782199377 /nfs/dbraw/zinc/19/93/77/782199377.db2.gz WGWNLMKIXCTZNV-JGVFFNPUSA-N 1 2 266.305 -1.127 20 0 CAADLO C[C@H]1C[C@H](NC(=O)c2cnn[nH]2)CC[N@@H+]1CC(N)=O ZINC000947485207 782199383 /nfs/dbraw/zinc/19/93/83/782199383.db2.gz WGWNLMKIXCTZNV-JGVFFNPUSA-N 1 2 266.305 -1.127 20 0 CAADLO C[C@H]1C[C@H](NC(=O)c2cnn[nH]2)CC[N@H+]1CC(N)=O ZINC000947485207 782199389 /nfs/dbraw/zinc/19/93/89/782199389.db2.gz WGWNLMKIXCTZNV-JGVFFNPUSA-N 1 2 266.305 -1.127 20 0 CAADLO CN(C)S(=O)(=O)N1CC[NH+](C[C@@H](O)CO)CC1 ZINC000687820502 782200070 /nfs/dbraw/zinc/20/00/70/782200070.db2.gz OSWMOAFVTQFNES-SECBINFHSA-N 1 2 267.351 -2.236 20 0 CAADLO CCN(CCS(C)(=O)=O)C(=O)CN1CC[NH2+]CC1=O ZINC000688532723 782200511 /nfs/dbraw/zinc/20/05/11/782200511.db2.gz TWWSOFIBAIUKOJ-UHFFFAOYSA-N 1 2 291.373 -1.689 20 0 CAADLO Cc1nc(N2CCC[C@@](CO)(NC(=O)C(N)=O)C2)cc[nH+]1 ZINC001111363877 782200600 /nfs/dbraw/zinc/20/06/00/782200600.db2.gz HTHUHHDDYAPPIJ-CYBMUJFWSA-N 1 2 293.327 -1.282 20 0 CAADLO CCN(CCS(C)(=O)=O)C(=O)[C@@H](N)C[NH+](C)C ZINC000688529568 782201117 /nfs/dbraw/zinc/20/11/17/782201117.db2.gz INLIBOIZQLHPMO-VIFPVBQESA-N 1 2 265.379 -1.232 20 0 CAADLO Cn1c(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(N)=O)c[nH]c1=O ZINC001095871234 782202118 /nfs/dbraw/zinc/20/21/18/782202118.db2.gz CTMLLKZTXFZHGV-VGMNWLOBSA-N 1 2 293.327 -1.054 20 0 CAADLO Cn1c(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(N)=O)c[nH]c1=O ZINC001095871234 782202123 /nfs/dbraw/zinc/20/21/23/782202123.db2.gz CTMLLKZTXFZHGV-VGMNWLOBSA-N 1 2 293.327 -1.054 20 0 CAADLO C#CCNC(=O)CN(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000083244456 782202137 /nfs/dbraw/zinc/20/21/37/782202137.db2.gz CJIFPTSMWITHMK-GFCCVEGCSA-N 1 2 269.345 -1.639 20 0 CAADLO CCCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cn[nH]n1 ZINC001114509009 782203496 /nfs/dbraw/zinc/20/34/96/782203496.db2.gz ZJLMATJUVNOONB-GDGBQDQQSA-N 1 2 292.343 -1.009 20 0 CAADLO CCCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cn[nH]n1 ZINC001114509009 782203501 /nfs/dbraw/zinc/20/35/01/782203501.db2.gz ZJLMATJUVNOONB-GDGBQDQQSA-N 1 2 292.343 -1.009 20 0 CAADLO CCCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnn[nH]1 ZINC001114509009 782203508 /nfs/dbraw/zinc/20/35/08/782203508.db2.gz ZJLMATJUVNOONB-GDGBQDQQSA-N 1 2 292.343 -1.009 20 0 CAADLO CCCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnn[nH]1 ZINC001114509009 782203515 /nfs/dbraw/zinc/20/35/15/782203515.db2.gz ZJLMATJUVNOONB-GDGBQDQQSA-N 1 2 292.343 -1.009 20 0 CAADLO NC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cn[nH]n1 ZINC001114508473 782203659 /nfs/dbraw/zinc/20/36/59/782203659.db2.gz URIDHLJHVCHNEM-KPCSLPGQSA-N 1 2 293.287 -2.340 20 0 CAADLO NC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cn[nH]n1 ZINC001114508473 782203670 /nfs/dbraw/zinc/20/36/70/782203670.db2.gz URIDHLJHVCHNEM-KPCSLPGQSA-N 1 2 293.287 -2.340 20 0 CAADLO NC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnn[nH]1 ZINC001114508473 782203676 /nfs/dbraw/zinc/20/36/76/782203676.db2.gz URIDHLJHVCHNEM-KPCSLPGQSA-N 1 2 293.287 -2.340 20 0 CAADLO NC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnn[nH]1 ZINC001114508473 782203684 /nfs/dbraw/zinc/20/36/84/782203684.db2.gz URIDHLJHVCHNEM-KPCSLPGQSA-N 1 2 293.287 -2.340 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1nnn(C)n1)C2 ZINC001095881738 782204817 /nfs/dbraw/zinc/20/48/17/782204817.db2.gz IPUKTSGRADKHRY-KZVJFYERSA-N 1 2 293.331 -1.581 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1nnn(C)n1)C2 ZINC001095881738 782204826 /nfs/dbraw/zinc/20/48/26/782204826.db2.gz IPUKTSGRADKHRY-KZVJFYERSA-N 1 2 293.331 -1.581 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+]1CC[C@@H]1CNC(=O)c1c[nH]c(=O)cn1 ZINC001038651749 782207566 /nfs/dbraw/zinc/20/75/66/782207566.db2.gz OUWCNUMXPHLJKX-DTWKUNHWSA-N 1 2 293.327 -1.292 20 0 CAADLO CNC(=O)[C@H](C)[N@H+]1CC[C@@H]1CNC(=O)c1c[nH]c(=O)cn1 ZINC001038651749 782207570 /nfs/dbraw/zinc/20/75/70/782207570.db2.gz OUWCNUMXPHLJKX-DTWKUNHWSA-N 1 2 293.327 -1.292 20 0 CAADLO NC(=O)C1(C(=O)N[C@@H]2[C@H]3C[N@H+](Cc4cnon4)C[C@H]32)CC1 ZINC001114763420 782212712 /nfs/dbraw/zinc/21/27/12/782212712.db2.gz DSXXUUPTKGTHSD-MYJAWHEDSA-N 1 2 291.311 -1.119 20 0 CAADLO NC(=O)C1(C(=O)N[C@@H]2[C@H]3C[N@@H+](Cc4cnon4)C[C@H]32)CC1 ZINC001114763420 782212718 /nfs/dbraw/zinc/21/27/18/782212718.db2.gz DSXXUUPTKGTHSD-MYJAWHEDSA-N 1 2 291.311 -1.119 20 0 CAADLO Cn1cc(C[N@@H+]2C[C@H]3CN(C)C[C@@H](C2)O3)c(=O)n(C)c1=O ZINC001276321377 782215190 /nfs/dbraw/zinc/21/51/90/782215190.db2.gz IAVBFOLQZHVOMH-TXEJJXNPSA-N 1 2 294.355 -1.401 20 0 CAADLO Cn1cc(C[N@H+]2C[C@H]3CN(C)C[C@@H](C2)O3)c(=O)n(C)c1=O ZINC001276321377 782215197 /nfs/dbraw/zinc/21/51/97/782215197.db2.gz IAVBFOLQZHVOMH-TXEJJXNPSA-N 1 2 294.355 -1.401 20 0 CAADLO CNC(=O)NC(=O)C[NH+]1CC([C@@H](C)NC(C)=O)C1 ZINC001276333031 782215503 /nfs/dbraw/zinc/21/55/03/782215503.db2.gz CJFJKXKFMNXBGN-SSDOTTSWSA-N 1 2 256.306 -1.102 20 0 CAADLO CNC(=O)NC(=O)C[NH+]1CC([C@H](C)NC(C)=O)C1 ZINC001276333032 782215555 /nfs/dbraw/zinc/21/55/55/782215555.db2.gz CJFJKXKFMNXBGN-ZETCQYMHSA-N 1 2 256.306 -1.102 20 0 CAADLO NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1cn[nH]n1 ZINC001114858807 782217278 /nfs/dbraw/zinc/21/72/78/782217278.db2.gz IOGJRCKLUNOFHV-GDGBQDQQSA-N 1 2 278.316 -1.731 20 0 CAADLO NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1cn[nH]n1 ZINC001114858807 782217285 /nfs/dbraw/zinc/21/72/85/782217285.db2.gz IOGJRCKLUNOFHV-GDGBQDQQSA-N 1 2 278.316 -1.731 20 0 CAADLO NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1c[nH]nn1 ZINC001114858807 782217290 /nfs/dbraw/zinc/21/72/90/782217290.db2.gz IOGJRCKLUNOFHV-GDGBQDQQSA-N 1 2 278.316 -1.731 20 0 CAADLO NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1c[nH]nn1 ZINC001114858807 782217299 /nfs/dbraw/zinc/21/72/99/782217299.db2.gz IOGJRCKLUNOFHV-GDGBQDQQSA-N 1 2 278.316 -1.731 20 0 CAADLO CN(C)C(=O)C[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CCN(C)C1=O ZINC001038624288 782233357 /nfs/dbraw/zinc/23/33/57/782233357.db2.gz WRKZSQVHZWWOCS-WDEREUQCSA-N 1 2 296.371 -1.257 20 0 CAADLO CN(C)C(=O)C[N@H+]1CC[C@H]1CNC(=O)[C@H]1CCN(C)C1=O ZINC001038624288 782233367 /nfs/dbraw/zinc/23/33/67/782233367.db2.gz WRKZSQVHZWWOCS-WDEREUQCSA-N 1 2 296.371 -1.257 20 0 CAADLO CC(=O)NCC1(O)CN(C(=O)Cn2cc[nH+]c2)C1 ZINC001041067557 782233515 /nfs/dbraw/zinc/23/35/15/782233515.db2.gz OBWUFTCBTDEEBO-UHFFFAOYSA-N 1 2 252.274 -1.408 20 0 CAADLO COCCC(=O)NCC1(O)CN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001041074292 782234499 /nfs/dbraw/zinc/23/44/99/782234499.db2.gz IYZHAZMWICZMBS-UHFFFAOYSA-N 1 2 296.327 -1.322 20 0 CAADLO CN(C)C(=O)C[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CCNC(=O)C1 ZINC001038157505 782241084 /nfs/dbraw/zinc/24/10/84/782241084.db2.gz KNYYXXFHVZIGLH-MNOVXSKESA-N 1 2 296.371 -1.209 20 0 CAADLO CN(C)C(=O)C[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CCNC(=O)C1 ZINC001038157505 782241090 /nfs/dbraw/zinc/24/10/90/782241090.db2.gz KNYYXXFHVZIGLH-MNOVXSKESA-N 1 2 296.371 -1.209 20 0 CAADLO CN(C)C(=O)C[N@@H+]1CC[C@@H]1CNC(=O)c1c[nH]c(=O)cn1 ZINC001038638153 782241282 /nfs/dbraw/zinc/24/12/82/782241282.db2.gz HYFOQONCCFJIDM-SECBINFHSA-N 1 2 293.327 -1.338 20 0 CAADLO CN(C)C(=O)C[N@H+]1CC[C@@H]1CNC(=O)c1c[nH]c(=O)cn1 ZINC001038638153 782241290 /nfs/dbraw/zinc/24/12/90/782241290.db2.gz HYFOQONCCFJIDM-SECBINFHSA-N 1 2 293.327 -1.338 20 0 CAADLO CC(=O)N1CC(C(=O)NC[C@H]2CC[N@@H+]2[C@H]2CCNC2=O)C1 ZINC001038202322 782242399 /nfs/dbraw/zinc/24/23/99/782242399.db2.gz WQTFDWHQCNCKJE-NEPJUHHUSA-N 1 2 294.355 -1.456 20 0 CAADLO CC(=O)N1CC(C(=O)NC[C@H]2CC[N@H+]2[C@H]2CCNC2=O)C1 ZINC001038202322 782242405 /nfs/dbraw/zinc/24/24/05/782242405.db2.gz WQTFDWHQCNCKJE-NEPJUHHUSA-N 1 2 294.355 -1.456 20 0 CAADLO CN(C)C(=O)C[N@@H+]1CC[C@H]1CNC(=O)[C@H]1COC(=O)N1 ZINC001038211830 782243221 /nfs/dbraw/zinc/24/32/21/782243221.db2.gz HFEXKOOPHLZAFI-DTWKUNHWSA-N 1 2 284.316 -1.627 20 0 CAADLO CN(C)C(=O)C[N@H+]1CC[C@H]1CNC(=O)[C@H]1COC(=O)N1 ZINC001038211830 782243228 /nfs/dbraw/zinc/24/32/28/782243228.db2.gz HFEXKOOPHLZAFI-DTWKUNHWSA-N 1 2 284.316 -1.627 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CC[C@@H]1CNC(=O)c1cn[nH]c(=O)c1 ZINC001038373681 782246146 /nfs/dbraw/zinc/24/61/46/782246146.db2.gz MJOZJJCCVRLALP-IONNQARKSA-N 1 2 279.300 -1.140 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CC[C@@H]1CNC(=O)c1cn[nH]c(=O)c1 ZINC001038373681 782246154 /nfs/dbraw/zinc/24/61/54/782246154.db2.gz MJOZJJCCVRLALP-IONNQARKSA-N 1 2 279.300 -1.140 20 0 CAADLO O=C(NC[C@H]1CC[N@@H+]1[C@@H]1CCNC1=O)c1cnc[nH]c1=O ZINC001038383418 782246319 /nfs/dbraw/zinc/24/63/19/782246319.db2.gz BWUFQWIJRZMDEJ-PSASIEDQSA-N 1 2 291.311 -1.125 20 0 CAADLO O=C(NC[C@H]1CC[N@H+]1[C@@H]1CCNC1=O)c1cnc[nH]c1=O ZINC001038383418 782246325 /nfs/dbraw/zinc/24/63/25/782246325.db2.gz BWUFQWIJRZMDEJ-PSASIEDQSA-N 1 2 291.311 -1.125 20 0 CAADLO CN(C)C(=O)C[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CCCC(=O)N1 ZINC001038390198 782246872 /nfs/dbraw/zinc/24/68/72/782246872.db2.gz ZMPHQIPDCWXLAM-GHMZBOCLSA-N 1 2 296.371 -1.066 20 0 CAADLO CN(C)C(=O)C[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CCCC(=O)N1 ZINC001038390198 782246881 /nfs/dbraw/zinc/24/68/81/782246881.db2.gz ZMPHQIPDCWXLAM-GHMZBOCLSA-N 1 2 296.371 -1.066 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CC[C@H]1CNC(=O)c1cn[nH]c(=O)c1 ZINC001038373679 782245583 /nfs/dbraw/zinc/24/55/83/782245583.db2.gz MJOZJJCCVRLALP-APPZFPTMSA-N 1 2 279.300 -1.140 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CC[C@H]1CNC(=O)c1cn[nH]c(=O)c1 ZINC001038373679 782245588 /nfs/dbraw/zinc/24/55/88/782245588.db2.gz MJOZJJCCVRLALP-APPZFPTMSA-N 1 2 279.300 -1.140 20 0 CAADLO O=C(NC[C@@H]1CC[N@@H+]1CCn1cncn1)c1cn[nH]n1 ZINC001038451150 782248618 /nfs/dbraw/zinc/24/86/18/782248618.db2.gz NRHXVOILQTWBLS-VIFPVBQESA-N 1 2 276.304 -1.100 20 0 CAADLO O=C(NC[C@@H]1CC[N@H+]1CCn1cncn1)c1cn[nH]n1 ZINC001038451150 782248625 /nfs/dbraw/zinc/24/86/25/782248625.db2.gz NRHXVOILQTWBLS-VIFPVBQESA-N 1 2 276.304 -1.100 20 0 CAADLO CN(C)C(=O)C[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CCNC1=O ZINC001038597845 782249858 /nfs/dbraw/zinc/24/98/58/782249858.db2.gz ZVLBOCZFKIMMDM-VHSXEESVSA-N 1 2 282.344 -1.599 20 0 CAADLO CN(C)C(=O)C[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CCNC1=O ZINC001038597845 782249867 /nfs/dbraw/zinc/24/98/67/782249867.db2.gz ZVLBOCZFKIMMDM-VHSXEESVSA-N 1 2 282.344 -1.599 20 0 CAADLO CN(C)C(=O)C[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCNC1=O ZINC001038597830 782250481 /nfs/dbraw/zinc/25/04/81/782250481.db2.gz ZVLBOCZFKIMMDM-NXEZZACHSA-N 1 2 282.344 -1.599 20 0 CAADLO CN(C)C(=O)C[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCNC1=O ZINC001038597830 782250487 /nfs/dbraw/zinc/25/04/87/782250487.db2.gz ZVLBOCZFKIMMDM-NXEZZACHSA-N 1 2 282.344 -1.599 20 0 CAADLO CC[C@@H](C(N)=O)[N@@H+]1CC[C@H]1CNC(=O)c1c[nH]c(=O)cn1 ZINC001038652126 782254693 /nfs/dbraw/zinc/25/46/93/782254693.db2.gz RKEOXLWILDQZSJ-WPRPVWTQSA-N 1 2 293.327 -1.162 20 0 CAADLO CC[C@@H](C(N)=O)[N@H+]1CC[C@H]1CNC(=O)c1c[nH]c(=O)cn1 ZINC001038652126 782254703 /nfs/dbraw/zinc/25/47/03/782254703.db2.gz RKEOXLWILDQZSJ-WPRPVWTQSA-N 1 2 293.327 -1.162 20 0 CAADLO CN(C)C(=O)C[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CCC(=O)N1C ZINC001038622037 782252623 /nfs/dbraw/zinc/25/26/23/782252623.db2.gz MACOELICTLVRPB-GHMZBOCLSA-N 1 2 296.371 -1.114 20 0 CAADLO CN(C)C(=O)C[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CCC(=O)N1C ZINC001038622037 782252629 /nfs/dbraw/zinc/25/26/29/782252629.db2.gz MACOELICTLVRPB-GHMZBOCLSA-N 1 2 296.371 -1.114 20 0 CAADLO Cn1c[nH+]cc1CN1CC[C@H]1CNC(=O)[C@H]1CNC(=O)N1 ZINC001038652095 782253300 /nfs/dbraw/zinc/25/33/00/782253300.db2.gz SCDQUYXAFJSFRL-GXSJLCMTSA-N 1 2 292.343 -1.208 20 0 CAADLO Cn1cc(C[N@@H+]2CC[C@@H]2CNC(=O)[C@@H]2CNC(=O)N2)cn1 ZINC001038655054 782253605 /nfs/dbraw/zinc/25/36/05/782253605.db2.gz SRSRCELOPAICNO-MNOVXSKESA-N 1 2 292.343 -1.208 20 0 CAADLO Cn1cc(C[N@H+]2CC[C@@H]2CNC(=O)[C@@H]2CNC(=O)N2)cn1 ZINC001038655054 782253615 /nfs/dbraw/zinc/25/36/15/782253615.db2.gz SRSRCELOPAICNO-MNOVXSKESA-N 1 2 292.343 -1.208 20 0 CAADLO Cn1cc(C(=O)NC[C@H]2CC[N@@H+]2CCF)c(=O)n(C)c1=O ZINC001038770169 782258378 /nfs/dbraw/zinc/25/83/78/782258378.db2.gz RALOIARXEJHGQS-SECBINFHSA-N 1 2 298.318 -1.142 20 0 CAADLO Cn1cc(C(=O)NC[C@H]2CC[N@H+]2CCF)c(=O)n(C)c1=O ZINC001038770169 782258383 /nfs/dbraw/zinc/25/83/83/782258383.db2.gz RALOIARXEJHGQS-SECBINFHSA-N 1 2 298.318 -1.142 20 0 CAADLO CN(C)C(=O)C[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CNC(=O)N1 ZINC001038653480 782255367 /nfs/dbraw/zinc/25/53/67/782255367.db2.gz XULMEJRSXMCXGH-IUCAKERBSA-N 1 2 283.332 -2.054 20 0 CAADLO CN(C)C(=O)C[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CNC(=O)N1 ZINC001038653480 782255383 /nfs/dbraw/zinc/25/53/83/782255383.db2.gz XULMEJRSXMCXGH-IUCAKERBSA-N 1 2 283.332 -2.054 20 0 CAADLO O=C(NC[C@H]1CC[N@H+]1CCO)c1cc(=O)n2[nH]cnc2n1 ZINC001038924320 782262363 /nfs/dbraw/zinc/26/23/63/782262363.db2.gz ZJSNMQJHKITAJV-MRVPVSSYSA-N 1 2 292.299 -1.786 20 0 CAADLO O=C(NC[C@H]1CC[N@@H+]1CCO)c1cc(=O)n2[nH]cnc2n1 ZINC001038924320 782262371 /nfs/dbraw/zinc/26/23/71/782262371.db2.gz ZJSNMQJHKITAJV-MRVPVSSYSA-N 1 2 292.299 -1.786 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cn1nccn1 ZINC001039381330 782268351 /nfs/dbraw/zinc/26/83/51/782268351.db2.gz FOCAFGYCPXNTPN-MNOVXSKESA-N 1 2 292.343 -1.171 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cn1nccn1 ZINC001039381330 782268361 /nfs/dbraw/zinc/26/83/61/782268361.db2.gz FOCAFGYCPXNTPN-MNOVXSKESA-N 1 2 292.343 -1.171 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cn[nH]n1 ZINC001039398937 782268470 /nfs/dbraw/zinc/26/84/70/782268470.db2.gz WVLPUMLFVKZMBY-BDAKNGLRSA-N 1 2 278.316 -1.031 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cn[nH]n1 ZINC001039398937 782268481 /nfs/dbraw/zinc/26/84/81/782268481.db2.gz WVLPUMLFVKZMBY-BDAKNGLRSA-N 1 2 278.316 -1.031 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1COC(=O)N1 ZINC001039366864 782268707 /nfs/dbraw/zinc/26/87/07/782268707.db2.gz DNDIOMSGWIFQKD-KXUCPTDWSA-N 1 2 296.327 -1.355 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1COC(=O)N1 ZINC001039366864 782268717 /nfs/dbraw/zinc/26/87/17/782268717.db2.gz DNDIOMSGWIFQKD-KXUCPTDWSA-N 1 2 296.327 -1.355 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC(=O)N1 ZINC001039346611 782268813 /nfs/dbraw/zinc/26/88/13/782268813.db2.gz LLGHSQZGMLVBLH-OUAUKWLOSA-N 1 2 294.355 -1.184 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC(=O)N1 ZINC001039346611 782268815 /nfs/dbraw/zinc/26/88/15/782268815.db2.gz LLGHSQZGMLVBLH-OUAUKWLOSA-N 1 2 294.355 -1.184 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(N)=O ZINC001039427906 782268912 /nfs/dbraw/zinc/26/89/12/782268912.db2.gz OQSMQBPFYYZPAO-BBBLOLIVSA-N 1 2 282.344 -1.329 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(N)=O ZINC001039427906 782268918 /nfs/dbraw/zinc/26/89/18/782268918.db2.gz OQSMQBPFYYZPAO-BBBLOLIVSA-N 1 2 282.344 -1.329 20 0 CAADLO NC(=O)CC(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2[C@@H]1CCNC1=O ZINC001039533356 782269152 /nfs/dbraw/zinc/26/91/52/782269152.db2.gz FAOIJJLPYGLHNE-OUAUKWLOSA-N 1 2 294.355 -1.184 20 0 CAADLO NC(=O)CC(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2[C@@H]1CCNC1=O ZINC001039533356 782269158 /nfs/dbraw/zinc/26/91/58/782269158.db2.gz FAOIJJLPYGLHNE-OUAUKWLOSA-N 1 2 294.355 -1.184 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1nc[nH]n1 ZINC001039454316 782269219 /nfs/dbraw/zinc/26/92/19/782269219.db2.gz WEYMCAACOVIRRT-BDAKNGLRSA-N 1 2 278.316 -1.031 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1nc[nH]n1 ZINC001039454316 782269227 /nfs/dbraw/zinc/26/92/27/782269227.db2.gz WEYMCAACOVIRRT-BDAKNGLRSA-N 1 2 278.316 -1.031 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(N)=O ZINC001039427905 782269277 /nfs/dbraw/zinc/26/92/77/782269277.db2.gz OQSMQBPFYYZPAO-AEJSXWLSSA-N 1 2 282.344 -1.329 20 0 CAADLO CNC(=O)[C@H](C)[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(N)=O ZINC001039427905 782269284 /nfs/dbraw/zinc/26/92/84/782269284.db2.gz OQSMQBPFYYZPAO-AEJSXWLSSA-N 1 2 282.344 -1.329 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cn1cncn1 ZINC001039467163 782269466 /nfs/dbraw/zinc/26/94/66/782269466.db2.gz YPXWWXDUJHTJBN-MNOVXSKESA-N 1 2 292.343 -1.171 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cn1cncn1 ZINC001039467163 782269470 /nfs/dbraw/zinc/26/94/70/782269470.db2.gz YPXWWXDUJHTJBN-MNOVXSKESA-N 1 2 292.343 -1.171 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1COC(=O)N1 ZINC001039366865 782269579 /nfs/dbraw/zinc/26/95/79/782269579.db2.gz DNDIOMSGWIFQKD-UTLUCORTSA-N 1 2 296.327 -1.355 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1COC(=O)N1 ZINC001039366865 782269587 /nfs/dbraw/zinc/26/95/87/782269587.db2.gz DNDIOMSGWIFQKD-UTLUCORTSA-N 1 2 296.327 -1.355 20 0 CAADLO CC(=O)N1CC[C@](O)(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001040214373 782275318 /nfs/dbraw/zinc/27/53/18/782275318.db2.gz LSTFTLZFOVFOOI-LBPRGKRZSA-N 1 2 266.301 -1.017 20 0 CAADLO NC(=O)C(=O)N1CC[C@@](O)(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001040215671 782275490 /nfs/dbraw/zinc/27/54/90/782275490.db2.gz WRTITSAIGJPJBX-GFCCVEGCSA-N 1 2 295.299 -2.552 20 0 CAADLO COCC(=O)N1CC[C@](O)(CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001040693259 782279656 /nfs/dbraw/zinc/27/96/56/782279656.db2.gz GHCNLONHHIKTJF-ZDUSSCGKSA-N 1 2 296.327 -1.322 20 0 CAADLO NC(=O)C(=O)NC[C@@]1(O)CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001040748078 782281199 /nfs/dbraw/zinc/28/11/99/782281199.db2.gz XQPLHQIXXLRUDZ-LBPRGKRZSA-N 1 2 295.299 -2.483 20 0 CAADLO COCC(=O)N1CC[C@](O)(CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001041035713 782289561 /nfs/dbraw/zinc/28/95/61/782289561.db2.gz LCQKGMXCZIQCDB-ZDUSSCGKSA-N 1 2 296.327 -1.322 20 0 CAADLO NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c[nH]c(=O)cn1)C2 ZINC001095935743 782288385 /nfs/dbraw/zinc/28/83/85/782288385.db2.gz GJIWORVOXJTOMX-WEDXCCLWSA-N 1 2 291.311 -1.410 20 0 CAADLO NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c[nH]c(=O)cn1)C2 ZINC001095935743 782288389 /nfs/dbraw/zinc/28/83/89/782288389.db2.gz GJIWORVOXJTOMX-WEDXCCLWSA-N 1 2 291.311 -1.410 20 0 CAADLO NC(=O)C(=O)N1CC[C@](O)(CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001040697391 782279309 /nfs/dbraw/zinc/27/93/09/782279309.db2.gz SLGAFIQIRJAIJW-LBPRGKRZSA-N 1 2 295.299 -2.483 20 0 CAADLO COCC(=O)NCC1(O)CN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001041153452 782297098 /nfs/dbraw/zinc/29/70/98/782297098.db2.gz GDYBLXXJMDYIOH-UHFFFAOYSA-N 1 2 296.327 -1.702 20 0 CAADLO NC(=O)C(=O)N1CC[C@](O)(CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001041037179 782289835 /nfs/dbraw/zinc/28/98/35/782289835.db2.gz VJUOOXQQVBGKPT-LBPRGKRZSA-N 1 2 295.299 -2.483 20 0 CAADLO Cc1nc(N2C[C@@H](O)[C@H](NC(=O)C(N)=O)C2)c(C)c(C)[nH+]1 ZINC001041304035 782304066 /nfs/dbraw/zinc/30/40/66/782304066.db2.gz GNYUXLXCEWNIFV-NXEZZACHSA-N 1 2 293.327 -1.447 20 0 CAADLO COCC(=O)NCC1(O)CN(C(=O)Cn2cc[nH+]c2)C1 ZINC001041160530 782298744 /nfs/dbraw/zinc/29/87/44/782298744.db2.gz PAPALHDBPGIJJW-UHFFFAOYSA-N 1 2 282.300 -1.781 20 0 CAADLO Cn1ncnc1C[N@@H+]1CC[C@@]2(CCN(C(=O)C(N)=O)C2)C1 ZINC001041613778 782312922 /nfs/dbraw/zinc/31/29/22/782312922.db2.gz HNSQRRYDMOIAAA-CYBMUJFWSA-N 1 2 292.343 -1.275 20 0 CAADLO Cn1ncnc1C[N@H+]1CC[C@@]2(CCN(C(=O)C(N)=O)C2)C1 ZINC001041613778 782312926 /nfs/dbraw/zinc/31/29/26/782312926.db2.gz HNSQRRYDMOIAAA-CYBMUJFWSA-N 1 2 292.343 -1.275 20 0 CAADLO Cn1cnnc1C[N@@H+]1CC[C@]2(CCN(C(=O)C(N)=O)C2)C1 ZINC001041616227 782313419 /nfs/dbraw/zinc/31/34/19/782313419.db2.gz LLFUBADUUTVISR-ZDUSSCGKSA-N 1 2 292.343 -1.275 20 0 CAADLO Cn1cnnc1C[N@H+]1CC[C@]2(CCN(C(=O)C(N)=O)C2)C1 ZINC001041616227 782313432 /nfs/dbraw/zinc/31/34/32/782313432.db2.gz LLFUBADUUTVISR-ZDUSSCGKSA-N 1 2 292.343 -1.275 20 0 CAADLO CSCC(=O)NCC1(O)CN(C(=O)Cn2cc[nH+]c2)C1 ZINC001041364762 782307070 /nfs/dbraw/zinc/30/70/70/782307070.db2.gz IECMDJLXYDMQDA-UHFFFAOYSA-N 1 2 298.368 -1.064 20 0 CAADLO CO[C@@H](C)C(=O)NCC1(O)CN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001041769034 782317213 /nfs/dbraw/zinc/31/72/13/782317213.db2.gz NRSUBNGJRIRIHR-VIFPVBQESA-N 1 2 296.327 -1.323 20 0 CAADLO CS(=O)(=O)CC(=O)N1CC[C@H]2CC[N@H+](CCO)[C@H]2C1 ZINC001041968528 782319801 /nfs/dbraw/zinc/31/98/01/782319801.db2.gz GSCYEXBOXDGBSM-MNOVXSKESA-N 1 2 290.385 -1.054 20 0 CAADLO CS(=O)(=O)CC(=O)N1CC[C@H]2CC[N@@H+](CCO)[C@H]2C1 ZINC001041968528 782319810 /nfs/dbraw/zinc/31/98/10/782319810.db2.gz GSCYEXBOXDGBSM-MNOVXSKESA-N 1 2 290.385 -1.054 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H]2CCN(C(=O)C(N)=O)C[C@@H]21 ZINC001042211798 782326435 /nfs/dbraw/zinc/32/64/35/782326435.db2.gz VKCVMBMJQDGSGI-YUMQZZPRSA-N 1 2 254.290 -2.120 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H]2CCN(C(=O)C(N)=O)C[C@@H]21 ZINC001042211798 782326440 /nfs/dbraw/zinc/32/64/40/782326440.db2.gz VKCVMBMJQDGSGI-YUMQZZPRSA-N 1 2 254.290 -2.120 20 0 CAADLO Cn1nncc1C[N@@H+]1CC[C@@H]2CCN(C(=O)C(N)=O)C[C@H]21 ZINC001042211905 782326999 /nfs/dbraw/zinc/32/69/99/782326999.db2.gz WKQKKDYRDZXNNX-MWLCHTKSSA-N 1 2 292.343 -1.277 20 0 CAADLO Cn1nncc1C[N@H+]1CC[C@@H]2CCN(C(=O)C(N)=O)C[C@H]21 ZINC001042211905 782327004 /nfs/dbraw/zinc/32/70/04/782327004.db2.gz WKQKKDYRDZXNNX-MWLCHTKSSA-N 1 2 292.343 -1.277 20 0 CAADLO CN(C(=O)Cn1cnnn1)C1C[NH+](CCn2cccn2)C1 ZINC001042455688 782332814 /nfs/dbraw/zinc/33/28/14/782332814.db2.gz QFBIGPXUDNHXQG-UHFFFAOYSA-N 1 2 290.331 -1.288 20 0 CAADLO COC(=O)CS(=O)(=O)N1CC([N@H+](C)[C@@H]2CCOC2)C1 ZINC001259023168 782331575 /nfs/dbraw/zinc/33/15/75/782331575.db2.gz SZAGBJGYKOCOBP-SECBINFHSA-N 1 2 292.357 -1.106 20 0 CAADLO COC(=O)CS(=O)(=O)N1CC([N@@H+](C)[C@@H]2CCOC2)C1 ZINC001259023168 782331580 /nfs/dbraw/zinc/33/15/80/782331580.db2.gz SZAGBJGYKOCOBP-SECBINFHSA-N 1 2 292.357 -1.106 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H]2CCN(C(=O)C(N)=O)C[C@H]21 ZINC001042211796 782325551 /nfs/dbraw/zinc/32/55/51/782325551.db2.gz VKCVMBMJQDGSGI-JGVFFNPUSA-N 1 2 254.290 -2.120 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H]2CCN(C(=O)C(N)=O)C[C@H]21 ZINC001042211796 782325554 /nfs/dbraw/zinc/32/55/54/782325554.db2.gz VKCVMBMJQDGSGI-JGVFFNPUSA-N 1 2 254.290 -2.120 20 0 CAADLO CN(C(=O)[C@H]1CCC(=O)N1)C1C[NH+](CCn2cncn2)C1 ZINC001042542212 782337665 /nfs/dbraw/zinc/33/76/65/782337665.db2.gz NNRYXWBWCOFQOR-LLVKDONJSA-N 1 2 292.343 -1.301 20 0 CAADLO CN(C(=O)Cn1cnnn1)C1CN(Cc2c[nH+]cn2C)C1 ZINC001042460160 782334489 /nfs/dbraw/zinc/33/44/89/782334489.db2.gz NOHWKUFTOWBLIR-UHFFFAOYSA-N 1 2 290.331 -1.251 20 0 CAADLO COCC[NH+]1CC(N(C)C(=O)CN2CN=NC2=O)C1 ZINC001042638462 782340018 /nfs/dbraw/zinc/34/00/18/782340018.db2.gz JKSGUUZLWAXBHH-UHFFFAOYSA-N 1 2 269.305 -1.227 20 0 CAADLO C[C@H](C(=O)N(C)C1C[NH+](CCO)C1)n1cncn1 ZINC001042637631 782340302 /nfs/dbraw/zinc/34/03/02/782340302.db2.gz OZLFZRDXNFSSAB-SECBINFHSA-N 1 2 253.306 -1.026 20 0 CAADLO CC(=O)N1CC(C(=O)N(C)C2C[NH+](CCO)C2)C1 ZINC001042660426 782340321 /nfs/dbraw/zinc/34/03/21/782340321.db2.gz MTOOXATUMPPMTC-UHFFFAOYSA-N 1 2 255.318 -1.400 20 0 CAADLO CN(C(=O)CN1CCOCC1)C1C[NH+](CCO)C1 ZINC001042631636 782339069 /nfs/dbraw/zinc/33/90/69/782339069.db2.gz KCLYFLVCOJSQKQ-UHFFFAOYSA-N 1 2 257.334 -1.547 20 0 CAADLO CN(C(=O)[C@@H]1CCNC(=O)C1)C1C[NH+](CCO)C1 ZINC001042611377 782339122 /nfs/dbraw/zinc/33/91/22/782339122.db2.gz ZZYSDCJOWGVODJ-SECBINFHSA-N 1 2 255.318 -1.353 20 0 CAADLO COCC[NH+]1CC(N(C)C(=O)[C@@H]2COC(=O)N2)C1 ZINC001042668999 782342007 /nfs/dbraw/zinc/34/20/07/782342007.db2.gz BZBRBNUJNSXBRJ-VIFPVBQESA-N 1 2 257.290 -1.116 20 0 CAADLO CN(C(=O)Cn1ncnn1)C1CN(Cc2c[nH+]cn2C)C1 ZINC001042728715 782344415 /nfs/dbraw/zinc/34/44/15/782344415.db2.gz JJEHEJPOQOKZPO-UHFFFAOYSA-N 1 2 290.331 -1.251 20 0 CAADLO CN(C(=O)CN1C(=O)CC(C)(C)C1=O)C1C[NH+](CCO)C1 ZINC001042725858 782344878 /nfs/dbraw/zinc/34/48/78/782344878.db2.gz HKJMFHMDSIWIKD-UHFFFAOYSA-N 1 2 297.355 -1.094 20 0 CAADLO CN(C(=O)Cn1cnc(C(N)=O)n1)C1C[NH+](CCO)C1 ZINC001042748523 782345431 /nfs/dbraw/zinc/34/54/31/782345431.db2.gz JSCTUDIBPSACOB-UHFFFAOYSA-N 1 2 282.304 -2.488 20 0 CAADLO CN(C(=O)c1cccn2nnnc12)C1C[NH+](CCO)C1 ZINC001042789951 782347206 /nfs/dbraw/zinc/34/72/06/782347206.db2.gz VEWKBFLYDCGYIO-UHFFFAOYSA-N 1 2 276.300 -1.127 20 0 CAADLO CCN1C[C@H](C(=O)N(C)C2C[NH+](CCO)C2)CC1=O ZINC001042837690 782348608 /nfs/dbraw/zinc/34/86/08/782348608.db2.gz KVQOACCCBMXDAO-SNVBAGLBSA-N 1 2 269.345 -1.010 20 0 CAADLO C[C@H](C(=O)N(C)C1C[NH+](CCO)C1)N1C(=O)CCC1=O ZINC001042836260 782348632 /nfs/dbraw/zinc/34/86/32/782348632.db2.gz ZVAJQCVKLQIZMY-SECBINFHSA-N 1 2 283.328 -1.341 20 0 CAADLO CN(C(=O)[C@H]1CC(=O)N(C)C1)C1C[NH+](CCO)C1 ZINC001042836357 782349657 /nfs/dbraw/zinc/34/96/57/782349657.db2.gz ATCHLCXEUVUJIJ-VIFPVBQESA-N 1 2 255.318 -1.400 20 0 CAADLO CN(C(=O)c1cnc[nH]c1=O)C1C[NH+](CCO)C1 ZINC001043027630 782354427 /nfs/dbraw/zinc/35/44/27/782354427.db2.gz HSDXJLCWQQGLMD-UHFFFAOYSA-N 1 2 252.274 -1.069 20 0 CAADLO COCC[NH+]1CC(N(C)C(=O)Cn2ncn(C)c2=O)C1 ZINC001043168601 782358525 /nfs/dbraw/zinc/35/85/25/782358525.db2.gz YBVFQXHBOTXUTE-UHFFFAOYSA-N 1 2 283.332 -1.629 20 0 CAADLO CN(C(=O)c1cc(C(N)=O)cn1C)C1C[NH+](CCO)C1 ZINC001043237786 782361818 /nfs/dbraw/zinc/36/18/18/782361818.db2.gz ZVMMHLNUZFAUAE-UHFFFAOYSA-N 1 2 280.328 -1.128 20 0 CAADLO CN(C(=O)[C@H]1CCCN(C(N)=O)C1)C1C[NH+](CCO)C1 ZINC001043269576 782362413 /nfs/dbraw/zinc/36/24/13/782362413.db2.gz XFFRPOMQKQHIAK-JTQLQIEISA-N 1 2 284.360 -1.088 20 0 CAADLO CN(C(=O)[C@@H]1CCC(=O)NC1)C1C[NH+](CCO)C1 ZINC001043192664 782359983 /nfs/dbraw/zinc/35/99/83/782359983.db2.gz DIVQAQLKMGBHHO-SECBINFHSA-N 1 2 255.318 -1.353 20 0 CAADLO NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CNC(=O)N1)C2 ZINC001095945757 782367272 /nfs/dbraw/zinc/36/72/72/782367272.db2.gz FGPABMRPFMYGQU-XGEHTFHBSA-N 1 2 281.316 -2.125 20 0 CAADLO NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CNC(=O)N1)C2 ZINC001095945757 782367280 /nfs/dbraw/zinc/36/72/80/782367280.db2.gz FGPABMRPFMYGQU-XGEHTFHBSA-N 1 2 281.316 -2.125 20 0 CAADLO CN(C(=O)[C@H]1CN(C)C(=O)N1)C1C[NH+](CCO)C1 ZINC001043523565 782367711 /nfs/dbraw/zinc/36/77/11/782367711.db2.gz GJFQPSDMNDNTAQ-SECBINFHSA-N 1 2 256.306 -1.855 20 0 CAADLO CNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CNC(=O)N1)C2 ZINC001095946088 782367829 /nfs/dbraw/zinc/36/78/29/782367829.db2.gz NXBOFCIDNCFOED-KATARQTJSA-N 1 2 295.343 -1.865 20 0 CAADLO CNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CNC(=O)N1)C2 ZINC001095946088 782367835 /nfs/dbraw/zinc/36/78/35/782367835.db2.gz NXBOFCIDNCFOED-KATARQTJSA-N 1 2 295.343 -1.865 20 0 CAADLO CN(C(=O)[C@@]1(C)CNC(=O)C1)C1C[NH+](CCO)C1 ZINC001043441465 782366364 /nfs/dbraw/zinc/36/63/64/782366364.db2.gz SIPGZXKJJAWYQB-GFCCVEGCSA-N 1 2 255.318 -1.353 20 0 CAADLO NC(=O)C(=O)N1CC(O)(CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001043526351 782369095 /nfs/dbraw/zinc/36/90/95/782369095.db2.gz WUTOVEPQKGVSPW-UHFFFAOYSA-N 1 2 295.299 -2.483 20 0 CAADLO NC(=O)C(=O)N1CC(O)(CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001043526351 782369103 /nfs/dbraw/zinc/36/91/03/782369103.db2.gz WUTOVEPQKGVSPW-UHFFFAOYSA-N 1 2 295.299 -2.483 20 0 CAADLO CN(C(=O)[C@@H]1CC[C@@H]1C(N)=O)C1C[NH+](CCO)C1 ZINC001043533185 782369327 /nfs/dbraw/zinc/36/93/27/782369327.db2.gz RFVWGWQDCBQDJU-VHSXEESVSA-N 1 2 255.318 -1.367 20 0 CAADLO COCC[NH+]1CC(N(C)C(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC001043526552 782369439 /nfs/dbraw/zinc/36/94/39/782369439.db2.gz ZSIYXZRLOJDOIZ-SNVBAGLBSA-N 1 2 270.333 -1.201 20 0 CAADLO C[C@@H](O)C[NH+]1CC(N(C)C(=O)c2nnn(C)n2)C1 ZINC001043551611 782369805 /nfs/dbraw/zinc/36/98/05/782369805.db2.gz WUGWUNXHDNHRQY-SSDOTTSWSA-N 1 2 254.294 -1.653 20 0 CAADLO CN(C(=O)[C@@H]1CC[C@H]1C(N)=O)C1C[NH+](CCO)C1 ZINC001043533182 782368303 /nfs/dbraw/zinc/36/83/03/782368303.db2.gz RFVWGWQDCBQDJU-NXEZZACHSA-N 1 2 255.318 -1.367 20 0 CAADLO CN(C(=O)c1c[nH]c(=O)n1C)C1C[NH+](CCO)C1 ZINC001043536935 782368584 /nfs/dbraw/zinc/36/85/84/782368584.db2.gz NQJKHRSWHLXAFR-UHFFFAOYSA-N 1 2 254.290 -1.126 20 0 CAADLO CN(C(=O)[C@H]1CNC(=O)N1)C1CN(Cc2c[nH+]cn2C)C1 ZINC001043705084 782374473 /nfs/dbraw/zinc/37/44/73/782374473.db2.gz SYJMDZXNOYDXAG-LLVKDONJSA-N 1 2 292.343 -1.256 20 0 CAADLO O=C(Cn1cc[nH+]c1)NCC1(O)CN(C(=O)C2CC2)C1 ZINC001043711402 782374809 /nfs/dbraw/zinc/37/48/09/782374809.db2.gz OQBQTRDBNGDXCM-UHFFFAOYSA-N 1 2 278.312 -1.017 20 0 CAADLO O=C(Cn1cc[nH+]c1)NCC1(O)CN(C(=O)C(F)F)C1 ZINC001043708487 782375054 /nfs/dbraw/zinc/37/50/54/782375054.db2.gz BTDRUINSVTYTHP-UHFFFAOYSA-N 1 2 288.254 -1.162 20 0 CAADLO NC(=O)CC(=O)N1CC(O)(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001043709352 782375465 /nfs/dbraw/zinc/37/54/65/782375465.db2.gz VVQNAMCTJZNPSO-UHFFFAOYSA-N 1 2 295.299 -2.552 20 0 CAADLO CO[C@@H](C)C(=O)N1CC(O)(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001043707061 782375640 /nfs/dbraw/zinc/37/56/40/782375640.db2.gz CKEOKFQRGDBEFV-JTQLQIEISA-N 1 2 296.327 -1.393 20 0 CAADLO CN(C(=O)[C@H]1CNC(=O)N1)C1C[NH+](CCn2cccn2)C1 ZINC001043704058 782375842 /nfs/dbraw/zinc/37/58/42/782375842.db2.gz HVQXURAJKYKXPZ-LLVKDONJSA-N 1 2 292.343 -1.293 20 0 CAADLO NC(=O)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H]1CCC(=O)NC1=O ZINC001095954320 782377350 /nfs/dbraw/zinc/37/73/50/782377350.db2.gz ONJMTFUVVLQQEI-RYPBNFRJSA-N 1 2 294.311 -2.002 20 0 CAADLO NC(=O)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H]1CCC(=O)NC1=O ZINC001095954320 782377354 /nfs/dbraw/zinc/37/73/54/782377354.db2.gz ONJMTFUVVLQQEI-RYPBNFRJSA-N 1 2 294.311 -2.002 20 0 CAADLO CN(C(=O)C(N)=O)C1C[NH+](C[C@@H]2CCc3ncnn32)C1 ZINC001043721971 782377426 /nfs/dbraw/zinc/37/74/26/782377426.db2.gz VCHJAFOKFDGNFH-QMMMGPOBSA-N 1 2 278.316 -1.607 20 0 CAADLO CN(C(=O)C(N)=O)C1C[NH+](CCCN2CCCC2=O)C1 ZINC001043724600 782377762 /nfs/dbraw/zinc/37/77/62/782377762.db2.gz VTRMKQZSCNIXRM-UHFFFAOYSA-N 1 2 282.344 -1.373 20 0 CAADLO CCN1CC[C@@H]([N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C(N)=O)C3)C1=O ZINC001095954255 782377781 /nfs/dbraw/zinc/37/77/81/782377781.db2.gz LCNYEEJUEOWLOG-VPOLOUISSA-N 1 2 294.355 -1.186 20 0 CAADLO CCN1CC[C@@H]([N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C(N)=O)C3)C1=O ZINC001095954255 782377794 /nfs/dbraw/zinc/37/77/94/782377794.db2.gz LCNYEEJUEOWLOG-VPOLOUISSA-N 1 2 294.355 -1.186 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(N)=O)C2 ZINC001095954299 782377810 /nfs/dbraw/zinc/37/78/10/782377810.db2.gz NQVHZUIKIHXFGB-HXFLIBJXSA-N 1 2 268.317 -1.672 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(N)=O)C2 ZINC001095954299 782377818 /nfs/dbraw/zinc/37/78/18/782377818.db2.gz NQVHZUIKIHXFGB-HXFLIBJXSA-N 1 2 268.317 -1.672 20 0 CAADLO NC(=O)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N1CCC1 ZINC001095949387 782372441 /nfs/dbraw/zinc/37/24/41/782372441.db2.gz OHXUQONTWSXZLG-UTLUCORTSA-N 1 2 280.328 -1.575 20 0 CAADLO NC(=O)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N1CCC1 ZINC001095949387 782372450 /nfs/dbraw/zinc/37/24/50/782372450.db2.gz OHXUQONTWSXZLG-UTLUCORTSA-N 1 2 280.328 -1.575 20 0 CAADLO NC(=O)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H]1CCNC1=O ZINC001095952954 782372949 /nfs/dbraw/zinc/37/29/49/782372949.db2.gz FVWANTZOHNJIDA-RYPBNFRJSA-N 1 2 266.301 -1.918 20 0 CAADLO NC(=O)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H]1CCNC1=O ZINC001095952954 782372960 /nfs/dbraw/zinc/37/29/60/782372960.db2.gz FVWANTZOHNJIDA-RYPBNFRJSA-N 1 2 266.301 -1.918 20 0 CAADLO CC[C@H](C(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(N)=O)C2 ZINC001095954033 782373151 /nfs/dbraw/zinc/37/31/51/782373151.db2.gz AMTGYLQPDYPJMI-XAVMHZPKSA-N 1 2 268.317 -1.543 20 0 CAADLO CC[C@H](C(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(N)=O)C2 ZINC001095954033 782373155 /nfs/dbraw/zinc/37/31/55/782373155.db2.gz AMTGYLQPDYPJMI-XAVMHZPKSA-N 1 2 268.317 -1.543 20 0 CAADLO NC(=O)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC1CC1 ZINC001095953189 782373412 /nfs/dbraw/zinc/37/34/12/782373412.db2.gz QBMSRMLDSWNWTE-UTLUCORTSA-N 1 2 280.328 -1.528 20 0 CAADLO NC(=O)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC1CC1 ZINC001095953189 782373422 /nfs/dbraw/zinc/37/34/22/782373422.db2.gz QBMSRMLDSWNWTE-UTLUCORTSA-N 1 2 280.328 -1.528 20 0 CAADLO NC(=O)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N1CCCC1 ZINC001095953212 782373452 /nfs/dbraw/zinc/37/34/52/782373452.db2.gz QTJITALWLRGBRY-VWYCJHECSA-N 1 2 294.355 -1.184 20 0 CAADLO NC(=O)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N1CCCC1 ZINC001095953212 782373460 /nfs/dbraw/zinc/37/34/60/782373460.db2.gz QTJITALWLRGBRY-VWYCJHECSA-N 1 2 294.355 -1.184 20 0 CAADLO CN(C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(N)=O)C2)C1CC1 ZINC001095953370 782373485 /nfs/dbraw/zinc/37/34/85/782373485.db2.gz ZMRNCVJRPBIGSE-VWYCJHECSA-N 1 2 294.355 -1.186 20 0 CAADLO CN(C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(N)=O)C2)C1CC1 ZINC001095953370 782373493 /nfs/dbraw/zinc/37/34/93/782373493.db2.gz ZMRNCVJRPBIGSE-VWYCJHECSA-N 1 2 294.355 -1.186 20 0 CAADLO CN(C(=O)[C@H]1CC[C@@H](C(N)=O)O1)C1C[NH+](CCCO)C1 ZINC001043851730 782381927 /nfs/dbraw/zinc/38/19/27/782381927.db2.gz LPLMKHMUJALAMI-WDEREUQCSA-N 1 2 285.344 -1.456 20 0 CAADLO C[C@H](O)C[NH+]1CC(N(C)C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001043857960 782382527 /nfs/dbraw/zinc/38/25/27/782382527.db2.gz BVFBSEKYCTVRIY-INTQDDNPSA-N 1 2 285.344 -1.457 20 0 CAADLO COCC[NH+]1CC(N(C)C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001043852668 782382954 /nfs/dbraw/zinc/38/29/54/782382954.db2.gz QFOHFDGGPXPSFN-WDEREUQCSA-N 1 2 285.344 -1.192 20 0 CAADLO CN(C(=O)C(N)=O)C1C[NH+](C[C@@H](O)Cn2cccn2)C1 ZINC001043724591 782378617 /nfs/dbraw/zinc/37/86/17/782378617.db2.gz VSXDPZTXWSIRNC-SNVBAGLBSA-N 1 2 281.316 -2.128 20 0 CAADLO CN(C(=O)Cc1c[nH+]c[nH]1)C1CN(CC(N)=O)C1 ZINC001043978377 782387027 /nfs/dbraw/zinc/38/70/27/782387027.db2.gz UXDPKPLNPCMKAP-UHFFFAOYSA-N 1 2 251.290 -1.420 20 0 CAADLO CN(C(=O)c1cnn(C)n1)C1C[NH+](CCCO)C1 ZINC001044047572 782388184 /nfs/dbraw/zinc/38/81/84/782388184.db2.gz LRZXKRIHSLIGEL-UHFFFAOYSA-N 1 2 253.306 -1.046 20 0 CAADLO CN(C(=O)Cc1nnc[nH]1)C1C[NH+](CCn2cncn2)C1 ZINC001044165959 782391356 /nfs/dbraw/zinc/39/13/56/782391356.db2.gz KKPRCYOWPDJBQD-UHFFFAOYSA-N 1 2 290.331 -1.219 20 0 CAADLO Cc1cc(C)n(CC(=O)N(C)C2C[NH+](CCO)C2)c(=O)n1 ZINC001044098441 782389590 /nfs/dbraw/zinc/38/95/90/782389590.db2.gz VHYHEVSCZBZKEG-UHFFFAOYSA-N 1 2 294.355 -1.005 20 0 CAADLO CN(C(=O)Cc1[nH]cc[nH+]1)C1CN([C@H]2CCNC2=O)C1 ZINC001044091030 782389789 /nfs/dbraw/zinc/38/97/89/782389789.db2.gz UAQKIXLMFCYXDE-JTQLQIEISA-N 1 2 277.328 -1.017 20 0 CAADLO CNC(=O)CN1CC(N(C)C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001044090812 782389943 /nfs/dbraw/zinc/38/99/43/782389943.db2.gz RTTDSWYCBMNWDU-UHFFFAOYSA-N 1 2 265.317 -1.159 20 0 CAADLO COCC(=O)N1CC(O)(CNC(=O)CCn2cc[nH+]c2)C1 ZINC001044135524 782390941 /nfs/dbraw/zinc/39/09/41/782390941.db2.gz WEOPUWQXVVJCBW-UHFFFAOYSA-N 1 2 296.327 -1.391 20 0 CAADLO CN(C(=O)Cc1c[nH+]c[nH]1)C1CN([C@H]2CCNC2=O)C1 ZINC001043978026 782384965 /nfs/dbraw/zinc/38/49/65/782384965.db2.gz NWWPDDUTNGNWJP-NSHDSACASA-N 1 2 277.328 -1.017 20 0 CAADLO CN(C(=O)[C@@H]1CCc2nnnn2CC1)C1C[NH+](CCO)C1 ZINC001043940161 782385025 /nfs/dbraw/zinc/38/50/25/782385025.db2.gz VFLIZCNRKNKPJD-SNVBAGLBSA-N 1 2 294.359 -1.240 20 0 CAADLO CC(=O)N1CCO[C@@H](C(=O)N(C)C2C[NH+](C[C@H](C)O)C2)C1 ZINC001044248088 782393638 /nfs/dbraw/zinc/39/36/38/782393638.db2.gz CSPBCUAGQGNCJE-GXFFZTMASA-N 1 2 299.371 -1.243 20 0 CAADLO CN(C(=O)[C@@H]1CCC(=O)N1)C1C[NH+](CCn2cncn2)C1 ZINC001044207507 782393715 /nfs/dbraw/zinc/39/37/15/782393715.db2.gz NNRYXWBWCOFQOR-NSHDSACASA-N 1 2 292.343 -1.301 20 0 CAADLO Cc1nn(CC(=O)N(C)C2C[NH+](CCO)C2)c(=O)n1C ZINC001044250091 782393981 /nfs/dbraw/zinc/39/39/81/782393981.db2.gz XNOIPELOAFKPBR-UHFFFAOYSA-N 1 2 283.332 -1.975 20 0 CAADLO CC(=O)N1CCO[C@H](C(=O)N(C)C2C[NH+](CCCO)C2)C1 ZINC001044249254 782394469 /nfs/dbraw/zinc/39/44/69/782394469.db2.gz YVMCLTJVJGQKQH-ZDUSSCGKSA-N 1 2 299.371 -1.241 20 0 CAADLO COCC[NH+]1CC(N(C)C(=O)CN2C(=O)CN(C)C2=O)C1 ZINC001044271878 782394918 /nfs/dbraw/zinc/39/49/18/782394918.db2.gz WMDTUQYGCOZXFU-UHFFFAOYSA-N 1 2 298.343 -1.331 20 0 CAADLO CN(C(=O)Cn1cncn1)C1C[NH+](CCn2cncn2)C1 ZINC001044269909 782395082 /nfs/dbraw/zinc/39/50/82/782395082.db2.gz UQUOGJDWDBNLLF-UHFFFAOYSA-N 1 2 290.331 -1.288 20 0 CAADLO CN(C(=O)[C@@H]1CCS(=O)(=O)N1)C1C[NH+](CCO)C1 ZINC001044307088 782396129 /nfs/dbraw/zinc/39/61/29/782396129.db2.gz JSGKHLZTKZUING-VIFPVBQESA-N 1 2 277.346 -2.187 20 0 CAADLO CN(C(=O)c1c[nH]c(C(N)=O)c1)C1C[NH+](CCO)C1 ZINC001044299030 782396230 /nfs/dbraw/zinc/39/62/30/782396230.db2.gz SJUYZBRLPIVSJA-UHFFFAOYSA-N 1 2 266.301 -1.138 20 0 CAADLO COCC[NH+]1CC(N(C)C(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001044286771 782396382 /nfs/dbraw/zinc/39/63/82/782396382.db2.gz JNODDKPBOYEVPI-UHFFFAOYSA-N 1 2 296.327 -1.112 20 0 CAADLO CN(C(=O)[C@H]1CCS(=O)(=O)N1)C1C[NH+](CCO)C1 ZINC001044307087 782396565 /nfs/dbraw/zinc/39/65/65/782396565.db2.gz JSGKHLZTKZUING-SECBINFHSA-N 1 2 277.346 -2.187 20 0 CAADLO CN(C(=O)Cn1ccccc1=O)C1C[NH+](CCO)C1 ZINC001044279187 782396648 /nfs/dbraw/zinc/39/66/48/782396648.db2.gz CKONXGKDYZKGRO-UHFFFAOYSA-N 1 2 265.313 -1.017 20 0 CAADLO C[C@@H](O)C[NH+]1CC(N(C)C(=O)c2nccnc2C(N)=O)C1 ZINC001044277188 782397180 /nfs/dbraw/zinc/39/71/80/782397180.db2.gz QEAJXJRGQKSRQA-MRVPVSSYSA-N 1 2 293.327 -1.288 20 0 CAADLO CNC(=O)CN1CC(N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC001044364136 782398088 /nfs/dbraw/zinc/39/80/88/782398088.db2.gz MUMVSXGSPGCEAU-UHFFFAOYSA-N 1 2 265.317 -1.228 20 0 CAADLO CN(C(=O)c1cn(C)c(=O)n1C)C1C[NH+](CCO)C1 ZINC001044343424 782398208 /nfs/dbraw/zinc/39/82/08/782398208.db2.gz SPYDWRMQJSLOTO-UHFFFAOYSA-N 1 2 268.317 -1.528 20 0 CAADLO C[C@@H](O)C[NH+]1CC(N(C)C(=O)c2cn(CC(N)=O)nn2)C1 ZINC001044334208 782398627 /nfs/dbraw/zinc/39/86/27/782398627.db2.gz HAJFZNKOZSNTFO-MRVPVSSYSA-N 1 2 296.331 -2.100 20 0 CAADLO CC(=O)N1CCOC[C@H]1C(=O)N(C)C1C[NH+](CCO)C1 ZINC001044312939 782398912 /nfs/dbraw/zinc/39/89/12/782398912.db2.gz HSPHTPLOCIMODB-LBPRGKRZSA-N 1 2 285.344 -1.631 20 0 CAADLO Cc1[nH+]c[nH]c1CC(=O)N(C)C1CN(CC(N)=O)C1 ZINC001044231949 782392906 /nfs/dbraw/zinc/39/29/06/782392906.db2.gz FIGMJKRNYGGRFM-UHFFFAOYSA-N 1 2 265.317 -1.111 20 0 CAADLO CC(=O)N1CCO[C@@H](C(=O)N(C)C2C[NH+](C[C@@H](C)O)C2)C1 ZINC001044248090 782393032 /nfs/dbraw/zinc/39/30/32/782393032.db2.gz CSPBCUAGQGNCJE-ZWNOBZJWSA-N 1 2 299.371 -1.243 20 0 CAADLO C[C@@H]1C[C@H]([NH2+]CC(N)=O)CCN1C(=O)Cc1ncn[nH]1 ZINC001044814511 782407353 /nfs/dbraw/zinc/40/73/53/782407353.db2.gz FJQOYYXVKZHAPR-RKDXNWHRSA-N 1 2 280.332 -1.198 20 0 CAADLO CN(C(=O)C[C@H]1CC(=O)NC1=O)C1C[NH+](CCO)C1 ZINC001044383640 782399563 /nfs/dbraw/zinc/39/95/63/782399563.db2.gz SPWSHJOWPXRARM-MRVPVSSYSA-N 1 2 269.301 -1.826 20 0 CAADLO COCC[NH+]1CC(N(C)C(=O)C[C@H]2CC(=O)NC2=O)C1 ZINC001044381243 782400352 /nfs/dbraw/zinc/40/03/52/782400352.db2.gz LBEFABCGBXEKLU-SECBINFHSA-N 1 2 283.328 -1.172 20 0 CAADLO Cn1nnc(C[NH2+]C[C@@H]2CCCN2C(=O)CC(N)=O)n1 ZINC001044967592 782409622 /nfs/dbraw/zinc/40/96/22/782409622.db2.gz OOUVRZLFNCKWSM-QMMMGPOBSA-N 1 2 281.320 -1.834 20 0 CAADLO C[C@]1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(N)=O)CCNC1=O ZINC001096003550 782410498 /nfs/dbraw/zinc/41/04/98/782410498.db2.gz LHKAINABLIJSDF-YCWTYVPXSA-N 1 2 294.355 -1.281 20 0 CAADLO C[C@]1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(N)=O)CCNC1=O ZINC001096003550 782410504 /nfs/dbraw/zinc/41/05/04/782410504.db2.gz LHKAINABLIJSDF-YCWTYVPXSA-N 1 2 294.355 -1.281 20 0 CAADLO COCC(=O)N1CCC[C@H]1C[NH2+]Cc1nnn(C)n1 ZINC001044886427 782408270 /nfs/dbraw/zinc/40/82/70/782408270.db2.gz SADPYSKEPARYSK-VIFPVBQESA-N 1 2 268.321 -1.063 20 0 CAADLO CN(C)c1noc(C[NH2+]C[C@@H]2CCCN2C(=O)C(N)=O)n1 ZINC001045178824 782412650 /nfs/dbraw/zinc/41/26/50/782412650.db2.gz QGDJXXKOKVJFEE-QMMMGPOBSA-N 1 2 296.331 -1.299 20 0 CAADLO COCc1noc(C[NH2+]C[C@@H]2CCCN2C(=O)C(N)=O)n1 ZINC001045178565 782412856 /nfs/dbraw/zinc/41/28/56/782412856.db2.gz LZLHOLZIYZWWHP-QMMMGPOBSA-N 1 2 297.315 -1.218 20 0 CAADLO Cc1noc(C[NH2+]C[C@@H]2CCCN2C(=O)C(N)=O)n1 ZINC001045177463 782413183 /nfs/dbraw/zinc/41/31/83/782413183.db2.gz KSYOCAXFRHOKMZ-QMMMGPOBSA-N 1 2 267.289 -1.056 20 0 CAADLO Cc1nnc(C[NH2+]C[C@@H]2CCCN2C(=O)C(N)=O)o1 ZINC001045177446 782413790 /nfs/dbraw/zinc/41/37/90/782413790.db2.gz ADVLRUMMIAZXES-QMMMGPOBSA-N 1 2 267.289 -1.056 20 0 CAADLO CC(=O)N1CC(O)(CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001045282123 782414111 /nfs/dbraw/zinc/41/41/11/782414111.db2.gz VLYCDRZHMWQHMG-UHFFFAOYSA-N 1 2 252.274 -1.338 20 0 CAADLO Cn1nnc(C[NH2+]C[C@@H]2CCCN2C(=O)c2cnon2)n1 ZINC001045247884 782414168 /nfs/dbraw/zinc/41/41/68/782414168.db2.gz UXLWAAKRROFMON-QMMMGPOBSA-N 1 2 292.303 -1.013 20 0 CAADLO COCC(=O)N1CC(O)(CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001045277069 782414976 /nfs/dbraw/zinc/41/49/76/782414976.db2.gz GQIGDLLKKPSRNY-UHFFFAOYSA-N 1 2 282.300 -1.712 20 0 CAADLO Cn1nnc(C[NH2+]C[C@@H]2CCCN2C(=O)c2nc[nH]n2)n1 ZINC001045245951 782415086 /nfs/dbraw/zinc/41/50/86/782415086.db2.gz UJAYOWIBQXBYDI-QMMMGPOBSA-N 1 2 291.319 -1.277 20 0 CAADLO NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[C@H]1C(N)=O)C2 ZINC001096024859 782416225 /nfs/dbraw/zinc/41/62/25/782416225.db2.gz VIPGXYJDLRUVKA-ZJDVBMNYSA-N 1 2 280.328 -1.685 20 0 CAADLO NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[C@H]1C(N)=O)C2 ZINC001096024859 782416234 /nfs/dbraw/zinc/41/62/34/782416234.db2.gz VIPGXYJDLRUVKA-ZJDVBMNYSA-N 1 2 280.328 -1.685 20 0 CAADLO NC(=O)C(=O)NCC1(O)CN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001045496312 782417297 /nfs/dbraw/zinc/41/72/97/782417297.db2.gz DYGSALQDRRYNDB-UHFFFAOYSA-N 1 2 281.272 -2.873 20 0 CAADLO Cn1c[nH+]cc1CC(=O)N1CC(O)(CNC(=O)C(N)=O)C1 ZINC001045521611 782426241 /nfs/dbraw/zinc/42/62/41/782426241.db2.gz IOZACSDECDVDKX-UHFFFAOYSA-N 1 2 295.299 -2.863 20 0 CAADLO CC(=O)N1CC[NH+]([C@H]2CCN(Cc3nnnn3C)C2)CC1 ZINC001045992880 782431735 /nfs/dbraw/zinc/43/17/35/782431735.db2.gz QAFILBOPIGRCTO-LBPRGKRZSA-N 1 2 293.375 -1.052 20 0 CAADLO C[C@]1(NC(=O)[C@@H]2COCCO2)CC[N@H+](CC(N)=O)C1 ZINC001046152537 782434833 /nfs/dbraw/zinc/43/48/33/782434833.db2.gz KWFPILQYBJWWCY-CABZTGNLSA-N 1 2 271.317 -1.532 20 0 CAADLO C[C@]1(NC(=O)[C@@H]2COCCO2)CC[N@@H+](CC(N)=O)C1 ZINC001046152537 782434839 /nfs/dbraw/zinc/43/48/39/782434839.db2.gz KWFPILQYBJWWCY-CABZTGNLSA-N 1 2 271.317 -1.532 20 0 CAADLO C[C@]1(NC(=O)[C@H]2COCCO2)CC[N@H+](CC(N)=O)C1 ZINC001046152539 782433772 /nfs/dbraw/zinc/43/37/72/782433772.db2.gz KWFPILQYBJWWCY-SKDRFNHKSA-N 1 2 271.317 -1.532 20 0 CAADLO C[C@]1(NC(=O)[C@H]2COCCO2)CC[N@@H+](CC(N)=O)C1 ZINC001046152539 782433781 /nfs/dbraw/zinc/43/37/81/782433781.db2.gz KWFPILQYBJWWCY-SKDRFNHKSA-N 1 2 271.317 -1.532 20 0 CAADLO C[C@@]1(NC(=O)C2=COCCO2)CC[N@H+](CC(N)=O)C1 ZINC001046114010 782433830 /nfs/dbraw/zinc/43/38/30/782433830.db2.gz SDQHHNCQGHELRG-GFCCVEGCSA-N 1 2 269.301 -1.060 20 0 CAADLO C[C@@]1(NC(=O)C2=COCCO2)CC[N@@H+](CC(N)=O)C1 ZINC001046114010 782433841 /nfs/dbraw/zinc/43/38/41/782433841.db2.gz SDQHHNCQGHELRG-GFCCVEGCSA-N 1 2 269.301 -1.060 20 0 CAADLO C[C@]1(NC(=O)c2nccnc2N)CC[N@H+](CC(N)=O)C1 ZINC001046204845 782434414 /nfs/dbraw/zinc/43/44/14/782434414.db2.gz SSVXRZUHOROIFS-LBPRGKRZSA-N 1 2 278.316 -1.262 20 0 CAADLO C[C@]1(NC(=O)c2nccnc2N)CC[N@@H+](CC(N)=O)C1 ZINC001046204845 782434419 /nfs/dbraw/zinc/43/44/19/782434419.db2.gz SSVXRZUHOROIFS-LBPRGKRZSA-N 1 2 278.316 -1.262 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@](C)(NC(=O)c2nccnc2N)C1 ZINC001046204432 782435146 /nfs/dbraw/zinc/43/51/46/782435146.db2.gz NQUNGWYZYTWDML-ZDUSSCGKSA-N 1 2 292.343 -1.001 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@](C)(NC(=O)c2nccnc2N)C1 ZINC001046204432 782435151 /nfs/dbraw/zinc/43/51/51/782435151.db2.gz NQUNGWYZYTWDML-ZDUSSCGKSA-N 1 2 292.343 -1.001 20 0 CAADLO Cn1cc(C(=O)N[C@@]2(C)CC[N@H+](CC(N)=O)C2)nn1 ZINC001046291526 782435626 /nfs/dbraw/zinc/43/56/26/782435626.db2.gz CMCNLGDZDBCVBS-NSHDSACASA-N 1 2 266.305 -1.505 20 0 CAADLO Cn1cc(C(=O)N[C@@]2(C)CC[N@@H+](CC(N)=O)C2)nn1 ZINC001046291526 782435634 /nfs/dbraw/zinc/43/56/34/782435634.db2.gz CMCNLGDZDBCVBS-NSHDSACASA-N 1 2 266.305 -1.505 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CC[C@@](C)(NC(=O)c2ncn(C)n2)C1 ZINC001046297014 782436296 /nfs/dbraw/zinc/43/62/96/782436296.db2.gz WYYXTAIXRAVKQE-QPUJVOFHSA-N 1 2 280.332 -1.117 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CC[C@@](C)(NC(=O)c2ncn(C)n2)C1 ZINC001046297014 782436299 /nfs/dbraw/zinc/43/62/99/782436299.db2.gz WYYXTAIXRAVKQE-QPUJVOFHSA-N 1 2 280.332 -1.117 20 0 CAADLO Cn1cnc(C(=O)N[C@]2(C)CC[N@H+](CC(N)=O)C2)n1 ZINC001046287188 782436703 /nfs/dbraw/zinc/43/67/03/782436703.db2.gz IVQFAGYMTUDKLO-LLVKDONJSA-N 1 2 266.305 -1.505 20 0 CAADLO Cn1cnc(C(=O)N[C@]2(C)CC[N@@H+](CC(N)=O)C2)n1 ZINC001046287188 782436709 /nfs/dbraw/zinc/43/67/09/782436709.db2.gz IVQFAGYMTUDKLO-LLVKDONJSA-N 1 2 266.305 -1.505 20 0 CAADLO CCn1ncc(C(=O)N[C@@]2(C)CC[N@H+](CC(N)=O)C2)n1 ZINC001046297670 782436889 /nfs/dbraw/zinc/43/68/89/782436889.db2.gz GKSKWYQFMGEINU-LBPRGKRZSA-N 1 2 280.332 -1.023 20 0 CAADLO CCn1ncc(C(=O)N[C@@]2(C)CC[N@@H+](CC(N)=O)C2)n1 ZINC001046297670 782436897 /nfs/dbraw/zinc/43/68/97/782436897.db2.gz GKSKWYQFMGEINU-LBPRGKRZSA-N 1 2 280.332 -1.023 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@](C)(NC(=O)c2cnnn2C)C1 ZINC001046284726 782437353 /nfs/dbraw/zinc/43/73/53/782437353.db2.gz XELHOPMWQMDQIH-GFCCVEGCSA-N 1 2 280.332 -1.245 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@](C)(NC(=O)c2cnnn2C)C1 ZINC001046284726 782437356 /nfs/dbraw/zinc/43/73/56/782437356.db2.gz XELHOPMWQMDQIH-GFCCVEGCSA-N 1 2 280.332 -1.245 20 0 CAADLO Cn1ncc(C(=O)N[C@]2(C)CC[N@H+](CC(N)=O)C2)n1 ZINC001046694455 782445409 /nfs/dbraw/zinc/44/54/09/782445409.db2.gz AXSBARKOWKMCSU-LLVKDONJSA-N 1 2 266.305 -1.505 20 0 CAADLO Cn1ncc(C(=O)N[C@]2(C)CC[N@@H+](CC(N)=O)C2)n1 ZINC001046694455 782445411 /nfs/dbraw/zinc/44/54/11/782445411.db2.gz AXSBARKOWKMCSU-LLVKDONJSA-N 1 2 266.305 -1.505 20 0 CAADLO C[C@@H]1OCCO[C@@H]1C(=O)N[C@]1(C)CC[N@H+](CC(N)=O)C1 ZINC001046386564 782439609 /nfs/dbraw/zinc/43/96/09/782439609.db2.gz FJCGAMKHOCSCNE-XHVZSJERSA-N 1 2 285.344 -1.144 20 0 CAADLO C[C@@H]1OCCO[C@@H]1C(=O)N[C@]1(C)CC[N@@H+](CC(N)=O)C1 ZINC001046386564 782439612 /nfs/dbraw/zinc/43/96/12/782439612.db2.gz FJCGAMKHOCSCNE-XHVZSJERSA-N 1 2 285.344 -1.144 20 0 CAADLO CCn1cc(C(=O)N[C@]2(C)CC[N@H+](CC(N)=O)C2)nn1 ZINC001046735036 782445528 /nfs/dbraw/zinc/44/55/28/782445528.db2.gz GJFJNMZZXSFCQQ-GFCCVEGCSA-N 1 2 280.332 -1.023 20 0 CAADLO CCn1cc(C(=O)N[C@]2(C)CC[N@@H+](CC(N)=O)C2)nn1 ZINC001046735036 782445532 /nfs/dbraw/zinc/44/55/32/782445532.db2.gz GJFJNMZZXSFCQQ-GFCCVEGCSA-N 1 2 280.332 -1.023 20 0 CAADLO Cn1nnc(C(=O)N[C@]2(C)CC[N@H+](CC(N)=O)C2)n1 ZINC001046543474 782441146 /nfs/dbraw/zinc/44/11/46/782441146.db2.gz GQEVNOFAXJWHBU-SNVBAGLBSA-N 1 2 267.293 -2.110 20 0 CAADLO Cn1nnc(C(=O)N[C@]2(C)CC[N@@H+](CC(N)=O)C2)n1 ZINC001046543474 782441149 /nfs/dbraw/zinc/44/11/49/782441149.db2.gz GQEVNOFAXJWHBU-SNVBAGLBSA-N 1 2 267.293 -2.110 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CC[C@](C)(NC(=O)c2nnn(C)n2)C1 ZINC001046548550 782441618 /nfs/dbraw/zinc/44/16/18/782441618.db2.gz QMDAGUFOFHTZLP-CPCISQLKSA-N 1 2 281.320 -1.722 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CC[C@](C)(NC(=O)c2nnn(C)n2)C1 ZINC001046548550 782441626 /nfs/dbraw/zinc/44/16/26/782441626.db2.gz QMDAGUFOFHTZLP-CPCISQLKSA-N 1 2 281.320 -1.722 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@](C)(NC(=O)c2nnn(C)n2)C1 ZINC001046545307 782442083 /nfs/dbraw/zinc/44/20/83/782442083.db2.gz ZNWWGAKWNVJODF-LLVKDONJSA-N 1 2 281.320 -1.850 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@](C)(NC(=O)c2nnn(C)n2)C1 ZINC001046545307 782442087 /nfs/dbraw/zinc/44/20/87/782442087.db2.gz ZNWWGAKWNVJODF-LLVKDONJSA-N 1 2 281.320 -1.850 20 0 CAADLO Cc1nn[nH]c1C(=O)N[C@@]1(C)CC[N@H+](CC(N)=O)C1 ZINC001046531308 782442190 /nfs/dbraw/zinc/44/21/90/782442190.db2.gz MSZJOHDGZFAGEC-NSHDSACASA-N 1 2 266.305 -1.207 20 0 CAADLO Cc1nn[nH]c1C(=O)N[C@@]1(C)CC[N@@H+](CC(N)=O)C1 ZINC001046531308 782442194 /nfs/dbraw/zinc/44/21/94/782442194.db2.gz MSZJOHDGZFAGEC-NSHDSACASA-N 1 2 266.305 -1.207 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CC[C@@](C)(NC(=O)c2nnn(C)n2)C1 ZINC001046548557 782442274 /nfs/dbraw/zinc/44/22/74/782442274.db2.gz QMDAGUFOFHTZLP-WRWORJQWSA-N 1 2 281.320 -1.722 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CC[C@@](C)(NC(=O)c2nnn(C)n2)C1 ZINC001046548557 782442279 /nfs/dbraw/zinc/44/22/79/782442279.db2.gz QMDAGUFOFHTZLP-WRWORJQWSA-N 1 2 281.320 -1.722 20 0 CAADLO C[C@]1(NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)CC[N@H+](CC(N)=O)C1 ZINC001046616769 782444180 /nfs/dbraw/zinc/44/41/80/782444180.db2.gz JUMPHBATUMKEIM-RWEMILLDSA-N 1 2 298.343 -1.915 20 0 CAADLO C[C@]1(NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)CC[N@@H+](CC(N)=O)C1 ZINC001046616769 782444186 /nfs/dbraw/zinc/44/41/86/782444186.db2.gz JUMPHBATUMKEIM-RWEMILLDSA-N 1 2 298.343 -1.915 20 0 CAADLO CCC(=O)N(C)[C@H]1C[N@H+](CC(=O)N(C)C)C[C@@H]1O ZINC001047267463 782453833 /nfs/dbraw/zinc/45/38/33/782453833.db2.gz DXYSGYWROSNPSV-UWVGGRQHSA-N 1 2 257.334 -1.012 20 0 CAADLO CCC(=O)N(C)[C@H]1C[N@@H+](CC(=O)N(C)C)C[C@@H]1O ZINC001047267463 782453835 /nfs/dbraw/zinc/45/38/35/782453835.db2.gz DXYSGYWROSNPSV-UWVGGRQHSA-N 1 2 257.334 -1.012 20 0 CAADLO C[C@@]1(NC(=O)c2cc(C(N)=O)c[nH]2)CC[N@H+](CC(N)=O)C1 ZINC001046734231 782446163 /nfs/dbraw/zinc/44/61/63/782446163.db2.gz MXMPHCBSFQBRJX-CYBMUJFWSA-N 1 2 293.327 -1.207 20 0 CAADLO C[C@@]1(NC(=O)c2cc(C(N)=O)c[nH]2)CC[N@@H+](CC(N)=O)C1 ZINC001046734231 782446173 /nfs/dbraw/zinc/44/61/73/782446173.db2.gz MXMPHCBSFQBRJX-CYBMUJFWSA-N 1 2 293.327 -1.207 20 0 CAADLO NC(=O)CC(=O)N1CC(O)(CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001047171277 782451533 /nfs/dbraw/zinc/45/15/33/782451533.db2.gz HJOZLNNKATZAJF-UHFFFAOYSA-N 1 2 295.299 -2.483 20 0 CAADLO CO[C@H](C)C(=O)N1CC(O)(CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001047170951 782451745 /nfs/dbraw/zinc/45/17/45/782451745.db2.gz BZHLTXDSIAFLBU-SECBINFHSA-N 1 2 296.327 -1.323 20 0 CAADLO NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1CCC(=O)N1)C2 ZINC001096154085 782451955 /nfs/dbraw/zinc/45/19/55/782451955.db2.gz GIOLAQHXVJHBQH-ZNSHCXBVSA-N 1 2 294.355 -1.138 20 0 CAADLO NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1CCC(=O)N1)C2 ZINC001096154085 782451963 /nfs/dbraw/zinc/45/19/63/782451963.db2.gz GIOLAQHXVJHBQH-ZNSHCXBVSA-N 1 2 294.355 -1.138 20 0 CAADLO CC(=O)N1CC(O)(CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001047171679 782452442 /nfs/dbraw/zinc/45/24/42/782452442.db2.gz LTIWGMQNICEPPK-UHFFFAOYSA-N 1 2 252.274 -1.338 20 0 CAADLO COCCC(=O)N1CC(O)(CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001047171123 782452774 /nfs/dbraw/zinc/45/27/74/782452774.db2.gz DRQPNRNXLZRKDJ-UHFFFAOYSA-N 1 2 296.327 -1.322 20 0 CAADLO NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H]1CCC(=O)N1)C2 ZINC001096154084 782452832 /nfs/dbraw/zinc/45/28/32/782452832.db2.gz GIOLAQHXVJHBQH-VLEAKVRGSA-N 1 2 294.355 -1.138 20 0 CAADLO NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H]1CCC(=O)N1)C2 ZINC001096154084 782452835 /nfs/dbraw/zinc/45/28/35/782452835.db2.gz GIOLAQHXVJHBQH-VLEAKVRGSA-N 1 2 294.355 -1.138 20 0 CAADLO CCC(=O)N(C)[C@H]1C[N@H+](CC(=O)N2CCOCC2)C[C@@H]1O ZINC001047270333 782453282 /nfs/dbraw/zinc/45/32/82/782453282.db2.gz DDPMPPCADIOOHY-RYUDHWBXSA-N 1 2 299.371 -1.241 20 0 CAADLO CCC(=O)N(C)[C@H]1C[N@@H+](CC(=O)N2CCOCC2)C[C@@H]1O ZINC001047270333 782453289 /nfs/dbraw/zinc/45/32/89/782453289.db2.gz DDPMPPCADIOOHY-RYUDHWBXSA-N 1 2 299.371 -1.241 20 0 CAADLO CN(C)C(=O)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCO2)C1 ZINC001047291757 782456309 /nfs/dbraw/zinc/45/63/09/782456309.db2.gz UCQXMJBEORGPLT-SRVKXCTJSA-N 1 2 299.371 -1.243 20 0 CAADLO CN(C)C(=O)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCO2)C1 ZINC001047291757 782456319 /nfs/dbraw/zinc/45/63/19/782456319.db2.gz UCQXMJBEORGPLT-SRVKXCTJSA-N 1 2 299.371 -1.243 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnn(C)c2)C1 ZINC001047300383 782456612 /nfs/dbraw/zinc/45/66/12/782456612.db2.gz XFFNCRAMVXDLSM-MIMYLULJSA-N 1 2 295.343 -1.589 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnn(C)c2)C1 ZINC001047300383 782456617 /nfs/dbraw/zinc/45/66/17/782456617.db2.gz XFFNCRAMVXDLSM-MIMYLULJSA-N 1 2 295.343 -1.589 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C2=COCCO2)C1 ZINC001047290575 782456959 /nfs/dbraw/zinc/45/69/59/782456959.db2.gz ARSJLBKXSNPFQV-GUBZILKMSA-N 1 2 299.327 -1.748 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C2=COCCO2)C1 ZINC001047290575 782456963 /nfs/dbraw/zinc/45/69/63/782456963.db2.gz ARSJLBKXSNPFQV-GUBZILKMSA-N 1 2 299.327 -1.748 20 0 CAADLO CNC(=O)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cccn2C)C1 ZINC001047306180 782457684 /nfs/dbraw/zinc/45/76/84/782457684.db2.gz MBENVOMXQRYDIB-RYUDHWBXSA-N 1 2 294.355 -1.112 20 0 CAADLO CNC(=O)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cccn2C)C1 ZINC001047306180 782457689 /nfs/dbraw/zinc/45/76/89/782457689.db2.gz MBENVOMXQRYDIB-RYUDHWBXSA-N 1 2 294.355 -1.112 20 0 CAADLO CN(C(=O)c1cn[nH]c1)[C@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@@H]1O ZINC001047311692 782457940 /nfs/dbraw/zinc/45/79/40/782457940.db2.gz ASXDWEUXOYSNQL-VWYCJHECSA-N 1 2 293.327 -1.585 20 0 CAADLO CN(C(=O)c1cn[nH]c1)[C@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@@H]1O ZINC001047311692 782457944 /nfs/dbraw/zinc/45/79/44/782457944.db2.gz ASXDWEUXOYSNQL-VWYCJHECSA-N 1 2 293.327 -1.585 20 0 CAADLO CC[C@@H](C(N)=O)[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cn[nH]c2)C1 ZINC001047311688 782458580 /nfs/dbraw/zinc/45/85/80/782458580.db2.gz ASFVOVLCCPISDS-DCAQKATOSA-N 1 2 295.343 -1.209 20 0 CAADLO CC[C@@H](C(N)=O)[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cn[nH]c2)C1 ZINC001047311688 782458589 /nfs/dbraw/zinc/45/85/89/782458589.db2.gz ASFVOVLCCPISDS-DCAQKATOSA-N 1 2 295.343 -1.209 20 0 CAADLO CC[C@@H](C(N)=O)[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc[nH]n2)C1 ZINC001047312377 782458694 /nfs/dbraw/zinc/45/86/94/782458694.db2.gz UEVPBFMSOZHVFL-DCAQKATOSA-N 1 2 295.343 -1.209 20 0 CAADLO CC[C@@H](C(N)=O)[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc[nH]n2)C1 ZINC001047312377 782458700 /nfs/dbraw/zinc/45/87/00/782458700.db2.gz UEVPBFMSOZHVFL-DCAQKATOSA-N 1 2 295.343 -1.209 20 0 CAADLO CC[C@@H](C(N)=O)[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccn[nH]2)C1 ZINC001047312377 782458705 /nfs/dbraw/zinc/45/87/05/782458705.db2.gz UEVPBFMSOZHVFL-DCAQKATOSA-N 1 2 295.343 -1.209 20 0 CAADLO CC[C@@H](C(N)=O)[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccn[nH]2)C1 ZINC001047312377 782458710 /nfs/dbraw/zinc/45/87/10/782458710.db2.gz UEVPBFMSOZHVFL-DCAQKATOSA-N 1 2 295.343 -1.209 20 0 CAADLO CNC(=O)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C(C)C)C1 ZINC001047306943 782458765 /nfs/dbraw/zinc/45/87/65/782458765.db2.gz VFRXIQUQBLHJGP-UWVGGRQHSA-N 1 2 257.334 -1.108 20 0 CAADLO CNC(=O)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C(C)C)C1 ZINC001047306943 782458770 /nfs/dbraw/zinc/45/87/70/782458770.db2.gz VFRXIQUQBLHJGP-UWVGGRQHSA-N 1 2 257.334 -1.108 20 0 CAADLO CC(C)C(=O)N(C)[C@H]1C[N@@H+]([C@H]2CCC(=O)NC2=O)C[C@@H]1O ZINC001047306140 782458880 /nfs/dbraw/zinc/45/88/80/782458880.db2.gz KWAQECNOLPBDOW-DCAQKATOSA-N 1 2 297.355 -1.049 20 0 CAADLO CC(C)C(=O)N(C)[C@H]1C[N@H+]([C@H]2CCC(=O)NC2=O)C[C@@H]1O ZINC001047306140 782458888 /nfs/dbraw/zinc/45/88/88/782458888.db2.gz KWAQECNOLPBDOW-DCAQKATOSA-N 1 2 297.355 -1.049 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2ccon2)C1 ZINC001047327645 782460242 /nfs/dbraw/zinc/46/02/42/782460242.db2.gz DPTOLNJFXCRRGB-MIMYLULJSA-N 1 2 296.327 -1.406 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2ccon2)C1 ZINC001047327645 782460247 /nfs/dbraw/zinc/46/02/47/782460247.db2.gz DPTOLNJFXCRRGB-MIMYLULJSA-N 1 2 296.327 -1.406 20 0 CAADLO CNC(=O)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCOC2)C1 ZINC001047318419 782460970 /nfs/dbraw/zinc/46/09/70/782460970.db2.gz SFIVILFDHSPRCD-SRVKXCTJSA-N 1 2 299.371 -1.338 20 0 CAADLO CNC(=O)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCOC2)C1 ZINC001047318419 782460978 /nfs/dbraw/zinc/46/09/78/782460978.db2.gz SFIVILFDHSPRCD-SRVKXCTJSA-N 1 2 299.371 -1.338 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccnn2C)C1 ZINC001047316478 782461126 /nfs/dbraw/zinc/46/11/26/782461126.db2.gz YIAVOITUQSLEDC-MIMYLULJSA-N 1 2 295.343 -1.589 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccnn2C)C1 ZINC001047316478 782461130 /nfs/dbraw/zinc/46/11/30/782461130.db2.gz YIAVOITUQSLEDC-MIMYLULJSA-N 1 2 295.343 -1.589 20 0 CAADLO CNC(=O)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCOC2)C1 ZINC001047321652 782461229 /nfs/dbraw/zinc/46/12/29/782461229.db2.gz HWCIIGCFEYCIFZ-DCAQKATOSA-N 1 2 285.344 -1.728 20 0 CAADLO CNC(=O)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCOC2)C1 ZINC001047321652 782461232 /nfs/dbraw/zinc/46/12/32/782461232.db2.gz HWCIIGCFEYCIFZ-DCAQKATOSA-N 1 2 285.344 -1.728 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccon2)C1 ZINC001047316961 782461324 /nfs/dbraw/zinc/46/13/24/782461324.db2.gz LNKYRFAIZMUYND-MIMYLULJSA-N 1 2 296.327 -1.074 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccon2)C1 ZINC001047316961 782461328 /nfs/dbraw/zinc/46/13/28/782461328.db2.gz LNKYRFAIZMUYND-MIMYLULJSA-N 1 2 296.327 -1.074 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccon2)C1 ZINC001047316955 782461524 /nfs/dbraw/zinc/46/15/24/782461524.db2.gz LNKYRFAIZMUYND-LSJOCFKGSA-N 1 2 296.327 -1.074 20 0 CAADLO CNC(=O)[C@H](C)[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccon2)C1 ZINC001047316955 782461527 /nfs/dbraw/zinc/46/15/27/782461527.db2.gz LNKYRFAIZMUYND-LSJOCFKGSA-N 1 2 296.327 -1.074 20 0 CAADLO CC(=O)N(C)[C@H]1C[N@H+](CC(=O)N2CCO[C@@H](C)C2)C[C@@H]1O ZINC001047272235 782454785 /nfs/dbraw/zinc/45/47/85/782454785.db2.gz XAOZUEPXZRPQIO-DRZSPHRISA-N 1 2 299.371 -1.243 20 0 CAADLO CC(=O)N(C)[C@H]1C[N@@H+](CC(=O)N2CCO[C@@H](C)C2)C[C@@H]1O ZINC001047272235 782454788 /nfs/dbraw/zinc/45/47/88/782454788.db2.gz XAOZUEPXZRPQIO-DRZSPHRISA-N 1 2 299.371 -1.243 20 0 CAADLO CN(C(=O)[C@@H]1COC(=O)N1)[C@H]1C[N@H+](CCF)C[C@@H]1O ZINC001047368225 782467808 /nfs/dbraw/zinc/46/78/08/782467808.db2.gz SBOWLUKRKDQKSX-CIUDSAMLSA-N 1 2 275.280 -1.432 20 0 CAADLO CN(C(=O)[C@@H]1COC(=O)N1)[C@H]1C[N@@H+](CCF)C[C@@H]1O ZINC001047368225 782467818 /nfs/dbraw/zinc/46/78/18/782467818.db2.gz SBOWLUKRKDQKSX-CIUDSAMLSA-N 1 2 275.280 -1.432 20 0 CAADLO CN(C(=O)[C@@H]1COCCN1C)[C@H]1C[N@H+](CCF)C[C@@H]1O ZINC001047356080 782465420 /nfs/dbraw/zinc/46/54/20/782465420.db2.gz QSKMKBJKRJADJQ-SRVKXCTJSA-N 1 2 289.351 -1.210 20 0 CAADLO CN(C(=O)[C@@H]1COCCN1C)[C@H]1C[N@@H+](CCF)C[C@@H]1O ZINC001047356080 782465425 /nfs/dbraw/zinc/46/54/25/782465425.db2.gz QSKMKBJKRJADJQ-SRVKXCTJSA-N 1 2 289.351 -1.210 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C2=CCOCC2)C1 ZINC001047358125 782465454 /nfs/dbraw/zinc/46/54/54/782465454.db2.gz PQKGTPKBYMFGMW-USWWRNFRSA-N 1 2 297.355 -1.290 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C2=CCOCC2)C1 ZINC001047358125 782465461 /nfs/dbraw/zinc/46/54/61/782465461.db2.gz PQKGTPKBYMFGMW-USWWRNFRSA-N 1 2 297.355 -1.290 20 0 CAADLO CN(C(=O)[C@@H]1CCCO1)[C@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@@H]1O ZINC001047354076 782465737 /nfs/dbraw/zinc/46/57/37/782465737.db2.gz WZZCSQYVHCRTLV-RHYQMDGZSA-N 1 2 297.355 -1.443 20 0 CAADLO CN(C(=O)[C@@H]1CCCO1)[C@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@@H]1O ZINC001047354076 782465738 /nfs/dbraw/zinc/46/57/38/782465738.db2.gz WZZCSQYVHCRTLV-RHYQMDGZSA-N 1 2 297.355 -1.443 20 0 CAADLO CN(C(=O)[C@@H]1CCCO1)[C@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@@H]1O ZINC001047354075 782466007 /nfs/dbraw/zinc/46/60/07/782466007.db2.gz WZZCSQYVHCRTLV-BJDJZHNGSA-N 1 2 297.355 -1.443 20 0 CAADLO CN(C(=O)[C@@H]1CCCO1)[C@H]1C[N@H+]([C@H]2CCNC2=O)C[C@@H]1O ZINC001047354075 782466013 /nfs/dbraw/zinc/46/60/13/782466013.db2.gz WZZCSQYVHCRTLV-BJDJZHNGSA-N 1 2 297.355 -1.443 20 0 CAADLO CNC(=O)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C2=CCOCC2)C1 ZINC001047357961 782466505 /nfs/dbraw/zinc/46/65/05/782466505.db2.gz MQTHPNUJLTZMBG-RYUDHWBXSA-N 1 2 297.355 -1.417 20 0 CAADLO CNC(=O)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C2=CCOCC2)C1 ZINC001047357961 782466513 /nfs/dbraw/zinc/46/65/13/782466513.db2.gz MQTHPNUJLTZMBG-RYUDHWBXSA-N 1 2 297.355 -1.417 20 0 CAADLO CN(C(=O)Cc1ccnn1C)[C@H]1C[N@H+](CC(N)=O)C[C@@H]1O ZINC001047367426 782466945 /nfs/dbraw/zinc/46/69/45/782466945.db2.gz IGMMWJQLHMCBHX-QWRGUYRKSA-N 1 2 295.343 -2.049 20 0 CAADLO CN(C(=O)Cc1ccnn1C)[C@H]1C[N@@H+](CC(N)=O)C[C@@H]1O ZINC001047367426 782466949 /nfs/dbraw/zinc/46/69/49/782466949.db2.gz IGMMWJQLHMCBHX-QWRGUYRKSA-N 1 2 295.343 -2.049 20 0 CAADLO CN(C(=O)[C@H]1COC(=O)N1)[C@H]1C[N@H+](CCF)C[C@@H]1O ZINC001047368226 782467379 /nfs/dbraw/zinc/46/73/79/782467379.db2.gz SBOWLUKRKDQKSX-VGMNWLOBSA-N 1 2 275.280 -1.432 20 0 CAADLO CN(C(=O)[C@H]1COC(=O)N1)[C@H]1C[N@@H+](CCF)C[C@@H]1O ZINC001047368226 782467388 /nfs/dbraw/zinc/46/73/88/782467388.db2.gz SBOWLUKRKDQKSX-VGMNWLOBSA-N 1 2 275.280 -1.432 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2nccn2)C1 ZINC001047397778 782473612 /nfs/dbraw/zinc/47/36/12/782473612.db2.gz IQQKEXNRSONVDQ-GUBZILKMSA-N 1 2 296.331 -2.345 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2nccn2)C1 ZINC001047397778 782473619 /nfs/dbraw/zinc/47/36/19/782473619.db2.gz IQQKEXNRSONVDQ-GUBZILKMSA-N 1 2 296.331 -2.345 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2ncnn2)C1 ZINC001047381464 782469508 /nfs/dbraw/zinc/46/95/08/782469508.db2.gz NODHWRKZTPHHCC-VGMNWLOBSA-N 1 2 297.319 -2.950 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2ncnn2)C1 ZINC001047381464 782469513 /nfs/dbraw/zinc/46/95/13/782469513.db2.gz NODHWRKZTPHHCC-VGMNWLOBSA-N 1 2 297.319 -2.950 20 0 CAADLO CN(C(=O)c1ncc[nH]1)[C@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@@H]1O ZINC001047375519 782470265 /nfs/dbraw/zinc/47/02/65/782470265.db2.gz WZUCKLCZMOSYOK-GUBZILKMSA-N 1 2 293.327 -1.585 20 0 CAADLO CN(C(=O)c1ncc[nH]1)[C@H]1C[N@H+]([C@H]2CCNC2=O)C[C@@H]1O ZINC001047375519 782470268 /nfs/dbraw/zinc/47/02/68/782470268.db2.gz WZUCKLCZMOSYOK-GUBZILKMSA-N 1 2 293.327 -1.585 20 0 CAADLO CNC(=O)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC2(F)F)C1 ZINC001047375066 782470461 /nfs/dbraw/zinc/47/04/61/782470461.db2.gz XCUNUZLZHJXVPW-CIUDSAMLSA-N 1 2 291.298 -1.109 20 0 CAADLO CNC(=O)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC2(F)F)C1 ZINC001047375066 782470463 /nfs/dbraw/zinc/47/04/63/782470463.db2.gz XCUNUZLZHJXVPW-CIUDSAMLSA-N 1 2 291.298 -1.109 20 0 CAADLO CC[C@@H](C(N)=O)[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ncc[nH]2)C1 ZINC001047375715 782470536 /nfs/dbraw/zinc/47/05/36/782470536.db2.gz GPKHGLUGCFLBOQ-GUBZILKMSA-N 1 2 295.343 -1.209 20 0 CAADLO CC[C@@H](C(N)=O)[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ncc[nH]2)C1 ZINC001047375715 782470539 /nfs/dbraw/zinc/47/05/39/782470539.db2.gz GPKHGLUGCFLBOQ-GUBZILKMSA-N 1 2 295.343 -1.209 20 0 CAADLO CN(C)C(=O)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ncc[nH]2)C1 ZINC001047375513 782470844 /nfs/dbraw/zinc/47/08/44/782470844.db2.gz WRVSCWOPBIORAD-UWVGGRQHSA-N 1 2 295.343 -1.385 20 0 CAADLO CN(C)C(=O)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ncc[nH]2)C1 ZINC001047375513 782470850 /nfs/dbraw/zinc/47/08/50/782470850.db2.gz WRVSCWOPBIORAD-UWVGGRQHSA-N 1 2 295.343 -1.385 20 0 CAADLO CNC(=O)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2ncnn2)C1 ZINC001047380130 782470959 /nfs/dbraw/zinc/47/09/59/782470959.db2.gz CAOLXKXXFSLWMP-IUCAKERBSA-N 1 2 297.319 -3.077 20 0 CAADLO CNC(=O)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2ncnn2)C1 ZINC001047380130 782470965 /nfs/dbraw/zinc/47/09/65/782470965.db2.gz CAOLXKXXFSLWMP-IUCAKERBSA-N 1 2 297.319 -3.077 20 0 CAADLO CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C2CS(=O)(=O)C2)C1 ZINC001047395207 782471860 /nfs/dbraw/zinc/47/18/60/782471860.db2.gz YWTNUMIVENXTOI-UWVGGRQHSA-N 1 2 276.358 -1.446 20 0 CAADLO CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C2CS(=O)(=O)C2)C1 ZINC001047395207 782471868 /nfs/dbraw/zinc/47/18/68/782471868.db2.gz YWTNUMIVENXTOI-UWVGGRQHSA-N 1 2 276.358 -1.446 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCOC2)C1 ZINC001047400962 782472541 /nfs/dbraw/zinc/47/25/41/782472541.db2.gz SNZHIHQCAVFBCM-BJDJZHNGSA-N 1 2 299.371 -1.339 20 0 CAADLO CNC(=O)[C@H](C)[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCOC2)C1 ZINC001047400962 782472543 /nfs/dbraw/zinc/47/25/43/782472543.db2.gz SNZHIHQCAVFBCM-BJDJZHNGSA-N 1 2 299.371 -1.339 20 0 CAADLO CN(C(=O)[C@@]1(C)CNC(=O)C1)[C@H]1C[N@H+](CCF)C[C@@H]1O ZINC001047469223 782480164 /nfs/dbraw/zinc/48/01/64/782480164.db2.gz NEFMCWOTOHWIBA-OUJBWJOFSA-N 1 2 287.335 -1.014 20 0 CAADLO CN(C(=O)[C@@]1(C)CNC(=O)C1)[C@H]1C[N@@H+](CCF)C[C@@H]1O ZINC001047469223 782480173 /nfs/dbraw/zinc/48/01/73/782480173.db2.gz NEFMCWOTOHWIBA-OUJBWJOFSA-N 1 2 287.335 -1.014 20 0 CAADLO CN(C(=O)[C@@H]1CCNC1=O)[C@H]1C[N@H+](CCF)C[C@@H]1O ZINC001047482958 782480459 /nfs/dbraw/zinc/48/04/59/782480459.db2.gz QKFPPVSUTQSWRG-UTLUCORTSA-N 1 2 273.308 -1.405 20 0 CAADLO CN(C(=O)[C@@H]1CCNC1=O)[C@H]1C[N@@H+](CCF)C[C@@H]1O ZINC001047482958 782480467 /nfs/dbraw/zinc/48/04/67/782480467.db2.gz QKFPPVSUTQSWRG-UTLUCORTSA-N 1 2 273.308 -1.405 20 0 CAADLO CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)CC2CS(=O)(=O)C2)C1 ZINC001047436351 782476839 /nfs/dbraw/zinc/47/68/39/782476839.db2.gz YGXPCQSDXWQOOO-QWRGUYRKSA-N 1 2 290.385 -1.056 20 0 CAADLO CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)CC2CS(=O)(=O)C2)C1 ZINC001047436351 782476847 /nfs/dbraw/zinc/47/68/47/782476847.db2.gz YGXPCQSDXWQOOO-QWRGUYRKSA-N 1 2 290.385 -1.056 20 0 CAADLO CN(C(=O)[C@H]1CCC(=O)NC1)[C@H]1C[N@H+](CCF)C[C@@H]1O ZINC001047439866 782477215 /nfs/dbraw/zinc/47/72/15/782477215.db2.gz VDHKATJZPMPJMT-DCAQKATOSA-N 1 2 287.335 -1.014 20 0 CAADLO CN(C(=O)[C@H]1CCC(=O)NC1)[C@H]1C[N@@H+](CCF)C[C@@H]1O ZINC001047439866 782477218 /nfs/dbraw/zinc/47/72/18/782477218.db2.gz VDHKATJZPMPJMT-DCAQKATOSA-N 1 2 287.335 -1.014 20 0 CAADLO CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCS(=O)(=O)C2)C1 ZINC001047450455 782478523 /nfs/dbraw/zinc/47/85/23/782478523.db2.gz XBMHYUVNUZHECY-VWYCJHECSA-N 1 2 290.385 -1.056 20 0 CAADLO CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCS(=O)(=O)C2)C1 ZINC001047450455 782478530 /nfs/dbraw/zinc/47/85/30/782478530.db2.gz XBMHYUVNUZHECY-VWYCJHECSA-N 1 2 290.385 -1.056 20 0 CAADLO Cc1nn[nH]c1C(=O)N(C)[C@H]1C[N@H+](CCO)C[C@@H]1O ZINC001047482084 782479482 /nfs/dbraw/zinc/47/94/82/782479482.db2.gz NVMKEORLNDHAJR-IUCAKERBSA-N 1 2 269.305 -1.777 20 0 CAADLO Cc1nn[nH]c1C(=O)N(C)[C@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001047482084 782479487 /nfs/dbraw/zinc/47/94/87/782479487.db2.gz NVMKEORLNDHAJR-IUCAKERBSA-N 1 2 269.305 -1.777 20 0 CAADLO Cc1n[nH]cc1C(=O)N(C)[C@H]1C[N@H+]([C@H](C)C(N)=O)C[C@@H]1O ZINC001047478186 782479527 /nfs/dbraw/zinc/47/95/27/782479527.db2.gz OWYMUSPNABVVEC-MIMYLULJSA-N 1 2 295.343 -1.291 20 0 CAADLO Cc1n[nH]cc1C(=O)N(C)[C@H]1C[N@@H+]([C@H](C)C(N)=O)C[C@@H]1O ZINC001047478186 782479536 /nfs/dbraw/zinc/47/95/36/782479536.db2.gz OWYMUSPNABVVEC-MIMYLULJSA-N 1 2 295.343 -1.291 20 0 CAADLO CC[C@H](F)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C(N)=O)C1 ZINC001047510078 782486998 /nfs/dbraw/zinc/48/69/98/782486998.db2.gz BACIZOVWHDYAFZ-CIUDSAMLSA-N 1 2 261.297 -1.277 20 0 CAADLO CC[C@H](F)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C(N)=O)C1 ZINC001047510078 782487002 /nfs/dbraw/zinc/48/70/02/782487002.db2.gz BACIZOVWHDYAFZ-CIUDSAMLSA-N 1 2 261.297 -1.277 20 0 CAADLO Cc1cncc(C[N@@H+]2C[C@H](O)[C@@H](N(C)C(=O)C(N)=O)C2)c1 ZINC001047506641 782485124 /nfs/dbraw/zinc/48/51/24/782485124.db2.gz AMTWVXYHLWTOGL-RYUDHWBXSA-N 1 2 292.339 -1.121 20 0 CAADLO Cc1cncc(C[N@H+]2C[C@H](O)[C@@H](N(C)C(=O)C(N)=O)C2)c1 ZINC001047506641 782485131 /nfs/dbraw/zinc/48/51/31/782485131.db2.gz AMTWVXYHLWTOGL-RYUDHWBXSA-N 1 2 292.339 -1.121 20 0 CAADLO CN(C(=O)[C@@H]1CNC(=O)N1)[C@H]1C[N@H+](CCF)C[C@@H]1O ZINC001047506345 782485609 /nfs/dbraw/zinc/48/56/09/782485609.db2.gz AZMHGIBVZDLJLK-CIUDSAMLSA-N 1 2 274.296 -1.859 20 0 CAADLO CN(C(=O)[C@@H]1CNC(=O)N1)[C@H]1C[N@@H+](CCF)C[C@@H]1O ZINC001047506345 782485614 /nfs/dbraw/zinc/48/56/14/782485614.db2.gz AZMHGIBVZDLJLK-CIUDSAMLSA-N 1 2 274.296 -1.859 20 0 CAADLO Cc1noc(C)c1C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C(N)=O)C1 ZINC001047507333 782485817 /nfs/dbraw/zinc/48/58/17/782485817.db2.gz UCZQQUQMCXOSIJ-QWRGUYRKSA-N 1 2 296.327 -1.220 20 0 CAADLO Cc1noc(C)c1C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C(N)=O)C1 ZINC001047507333 782485822 /nfs/dbraw/zinc/48/58/22/782485822.db2.gz UCZQQUQMCXOSIJ-QWRGUYRKSA-N 1 2 296.327 -1.220 20 0 CAADLO C[C@@H](C(=O)N(C)C)[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C(N)=O)C1 ZINC001047510671 782486418 /nfs/dbraw/zinc/48/64/18/782486418.db2.gz AARYWJSCFHZGJV-CIUDSAMLSA-N 1 2 286.332 -2.548 20 0 CAADLO C[C@@H](C(=O)N(C)C)[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C(N)=O)C1 ZINC001047510671 782486431 /nfs/dbraw/zinc/48/64/31/782486431.db2.gz AARYWJSCFHZGJV-CIUDSAMLSA-N 1 2 286.332 -2.548 20 0 CAADLO Cc1nn(C)cc1C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C(N)=O)C1 ZINC001047507393 782487447 /nfs/dbraw/zinc/48/74/47/782487447.db2.gz VLHGKJOYUQFAGV-QWRGUYRKSA-N 1 2 295.343 -1.783 20 0 CAADLO Cc1nn(C)cc1C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C(N)=O)C1 ZINC001047507393 782487451 /nfs/dbraw/zinc/48/74/51/782487451.db2.gz VLHGKJOYUQFAGV-QWRGUYRKSA-N 1 2 295.343 -1.783 20 0 CAADLO CN(C(=O)C(N)=O)[C@H]1C[N@H+](Cc2cnn(C)c2)C[C@@H]1O ZINC001047507471 782487727 /nfs/dbraw/zinc/48/77/27/782487727.db2.gz YIWTYQHEUZQRKS-UWVGGRQHSA-N 1 2 281.316 -2.091 20 0 CAADLO CN(C(=O)C(N)=O)[C@H]1C[N@@H+](Cc2cnn(C)c2)C[C@@H]1O ZINC001047507471 782487736 /nfs/dbraw/zinc/48/77/36/782487736.db2.gz YIWTYQHEUZQRKS-UWVGGRQHSA-N 1 2 281.316 -2.091 20 0 CAADLO C[C@H](C(=O)N(C)C)[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C(N)=O)C1 ZINC001047510672 782487771 /nfs/dbraw/zinc/48/77/71/782487771.db2.gz AARYWJSCFHZGJV-VGMNWLOBSA-N 1 2 286.332 -2.548 20 0 CAADLO C[C@H](C(=O)N(C)C)[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C(N)=O)C1 ZINC001047510672 782487775 /nfs/dbraw/zinc/48/77/75/782487775.db2.gz AARYWJSCFHZGJV-VGMNWLOBSA-N 1 2 286.332 -2.548 20 0 CAADLO CN(C(=O)[C@H]1C[C@H]1C(N)=O)[C@H]1C[N@H+](CCF)C[C@@H]1O ZINC001047532247 782491452 /nfs/dbraw/zinc/49/14/52/782491452.db2.gz XDAQSFHAUMQKAI-KATARQTJSA-N 1 2 273.308 -1.419 20 0 CAADLO CN(C(=O)[C@H]1C[C@H]1C(N)=O)[C@H]1C[N@@H+](CCF)C[C@@H]1O ZINC001047532247 782491455 /nfs/dbraw/zinc/49/14/55/782491455.db2.gz XDAQSFHAUMQKAI-KATARQTJSA-N 1 2 273.308 -1.419 20 0 CAADLO CCN1CC[C@H]([N@@H+]2C[C@H](O)[C@@H](N(C)C(=O)C(N)=O)C2)C1=O ZINC001047511243 782489578 /nfs/dbraw/zinc/48/95/78/782489578.db2.gz SQADFKHKSUXVKX-GUBZILKMSA-N 1 2 298.343 -2.404 20 0 CAADLO CCN1CC[C@H]([N@H+]2C[C@H](O)[C@@H](N(C)C(=O)C(N)=O)C2)C1=O ZINC001047511243 782489582 /nfs/dbraw/zinc/48/95/82/782489582.db2.gz SQADFKHKSUXVKX-GUBZILKMSA-N 1 2 298.343 -2.404 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2nnc[nH]2)C1 ZINC001047589169 782496937 /nfs/dbraw/zinc/49/69/37/782496937.db2.gz CKXGSWLKIIJGMN-CIUDSAMLSA-N 1 2 296.331 -2.276 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2nnc[nH]2)C1 ZINC001047589169 782496945 /nfs/dbraw/zinc/49/69/45/782496945.db2.gz CKXGSWLKIIJGMN-CIUDSAMLSA-N 1 2 296.331 -2.276 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2ncc[nH]2)C1 ZINC001047579499 782494234 /nfs/dbraw/zinc/49/42/34/782494234.db2.gz RGCWOINXAVAELR-UTLUCORTSA-N 1 2 295.343 -1.671 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2ncc[nH]2)C1 ZINC001047579499 782494241 /nfs/dbraw/zinc/49/42/41/782494241.db2.gz RGCWOINXAVAELR-UTLUCORTSA-N 1 2 295.343 -1.671 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2nnc[nH]2)C1 ZINC001047589170 782497978 /nfs/dbraw/zinc/49/79/78/782497978.db2.gz CKXGSWLKIIJGMN-VGMNWLOBSA-N 1 2 296.331 -2.276 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2nnc[nH]2)C1 ZINC001047589170 782497982 /nfs/dbraw/zinc/49/79/82/782497982.db2.gz CKXGSWLKIIJGMN-VGMNWLOBSA-N 1 2 296.331 -2.276 20 0 CAADLO CC[C@H](C(N)=O)[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCO2)C1 ZINC001047640629 782498822 /nfs/dbraw/zinc/49/88/22/782498822.db2.gz YMGAVDDBCABXQD-NOOOWODRSA-N 1 2 299.371 -1.067 20 0 CAADLO CC[C@H](C(N)=O)[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCO2)C1 ZINC001047640629 782498828 /nfs/dbraw/zinc/49/88/28/782498828.db2.gz YMGAVDDBCABXQD-NOOOWODRSA-N 1 2 299.371 -1.067 20 0 CAADLO CNC(=O)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2ccc[nH]2)C1 ZINC001047632818 782498879 /nfs/dbraw/zinc/49/88/79/782498879.db2.gz BNSXLKXDRMZLJM-RYUDHWBXSA-N 1 2 294.355 -1.193 20 0 CAADLO CNC(=O)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2ccc[nH]2)C1 ZINC001047632818 782498884 /nfs/dbraw/zinc/49/88/84/782498884.db2.gz BNSXLKXDRMZLJM-RYUDHWBXSA-N 1 2 294.355 -1.193 20 0 CAADLO CN(C(=O)Cc1nnc[nH]1)[C@H]1C[N@H+](CCF)C[C@@H]1O ZINC001047589621 782497749 /nfs/dbraw/zinc/49/77/49/782497749.db2.gz NBKVCZFHHHJTQB-IUCAKERBSA-N 1 2 271.296 -1.180 20 0 CAADLO CN(C(=O)Cc1nnc[nH]1)[C@H]1C[N@@H+](CCF)C[C@@H]1O ZINC001047589621 782497752 /nfs/dbraw/zinc/49/77/52/782497752.db2.gz NBKVCZFHHHJTQB-IUCAKERBSA-N 1 2 271.296 -1.180 20 0 CAADLO CN(C(=O)[C@@H]1CCOC1)[C@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@@H]1O ZINC001047585150 782497805 /nfs/dbraw/zinc/49/78/05/782497805.db2.gz MNVOVQGZUMJNNK-WYUUTHIRSA-N 1 2 297.355 -1.585 20 0 CAADLO CN(C(=O)[C@@H]1CCOC1)[C@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@@H]1O ZINC001047585150 782497809 /nfs/dbraw/zinc/49/78/09/782497809.db2.gz MNVOVQGZUMJNNK-WYUUTHIRSA-N 1 2 297.355 -1.585 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCO2)C1 ZINC001047639979 782500871 /nfs/dbraw/zinc/50/08/71/782500871.db2.gz UVTNZIGNKZYSAY-VPOLOUISSA-N 1 2 285.344 -1.457 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCO2)C1 ZINC001047639979 782500878 /nfs/dbraw/zinc/50/08/78/782500878.db2.gz UVTNZIGNKZYSAY-VPOLOUISSA-N 1 2 285.344 -1.457 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCO2)C1 ZINC001047639982 782501462 /nfs/dbraw/zinc/50/14/62/782501462.db2.gz UVTNZIGNKZYSAY-XWLWVQCSSA-N 1 2 285.344 -1.457 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCO2)C1 ZINC001047639982 782501468 /nfs/dbraw/zinc/50/14/68/782501468.db2.gz UVTNZIGNKZYSAY-XWLWVQCSSA-N 1 2 285.344 -1.457 20 0 CAADLO CNC(=O)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2cncn2)C1 ZINC001047620309 782499613 /nfs/dbraw/zinc/49/96/13/782499613.db2.gz MRZBSZPNVWEECA-UWVGGRQHSA-N 1 2 296.331 -2.472 20 0 CAADLO CNC(=O)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2cncn2)C1 ZINC001047620309 782499618 /nfs/dbraw/zinc/49/96/18/782499618.db2.gz MRZBSZPNVWEECA-UWVGGRQHSA-N 1 2 296.331 -2.472 20 0 CAADLO CN(C(=O)[C@H]1CCCO1)[C@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@@H]1O ZINC001047640006 782499916 /nfs/dbraw/zinc/49/99/16/782499916.db2.gz WZZCSQYVHCRTLV-FIQHERPVSA-N 1 2 297.355 -1.443 20 0 CAADLO CN(C(=O)[C@H]1CCCO1)[C@H]1C[N@H+]([C@H]2CCNC2=O)C[C@@H]1O ZINC001047640006 782499926 /nfs/dbraw/zinc/49/99/26/782499926.db2.gz WZZCSQYVHCRTLV-FIQHERPVSA-N 1 2 297.355 -1.443 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2ccc[nH]2)C1 ZINC001047638021 782500371 /nfs/dbraw/zinc/50/03/71/782500371.db2.gz YGYYNAWITASZFY-USWWRNFRSA-N 1 2 294.355 -1.066 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2ccc[nH]2)C1 ZINC001047638021 782500375 /nfs/dbraw/zinc/50/03/75/782500375.db2.gz YGYYNAWITASZFY-USWWRNFRSA-N 1 2 294.355 -1.066 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2ccc[nH]2)C1 ZINC001047638020 782500446 /nfs/dbraw/zinc/50/04/46/782500446.db2.gz YGYYNAWITASZFY-DLOVCJGASA-N 1 2 294.355 -1.066 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2ccc[nH]2)C1 ZINC001047638020 782500450 /nfs/dbraw/zinc/50/04/50/782500450.db2.gz YGYYNAWITASZFY-DLOVCJGASA-N 1 2 294.355 -1.066 20 0 CAADLO C[C@H](C(N)=O)N1C[C@H](O)[C@@H](N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC001047646533 782501814 /nfs/dbraw/zinc/50/18/14/782501814.db2.gz GMUAAEAFKSUHGG-VWYCJHECSA-N 1 2 295.343 -1.740 20 0 CAADLO CN(C(=O)Cn1cc[nH+]c1)[C@H]1CN(CC(N)=O)C[C@@H]1O ZINC001047647460 782502373 /nfs/dbraw/zinc/50/23/73/782502373.db2.gz UWBRKPRCNFGLFM-UWVGGRQHSA-N 1 2 281.316 -2.128 20 0 CAADLO C[C@@H](C(N)=O)N1C[C@H](O)[C@@H](N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC001047646532 782502454 /nfs/dbraw/zinc/50/24/54/782502454.db2.gz GMUAAEAFKSUHGG-DCAQKATOSA-N 1 2 295.343 -1.740 20 0 CAADLO COCC(=O)N1C[C@@H]2C[N@@H+](Cc3nnnn3C)C[C@@H]2C1 ZINC001048630828 782511321 /nfs/dbraw/zinc/51/13/21/782511321.db2.gz RQSOEVMSMPXJDP-AOOOYVTPSA-N 1 2 280.332 -1.253 20 0 CAADLO COCC(=O)N1C[C@@H]2C[N@H+](Cc3nnnn3C)C[C@@H]2C1 ZINC001048630828 782511331 /nfs/dbraw/zinc/51/13/31/782511331.db2.gz RQSOEVMSMPXJDP-AOOOYVTPSA-N 1 2 280.332 -1.253 20 0 CAADLO COC(=O)[C@H](CCc1cn(C)c[nH+]1)NS(N)(=O)=O ZINC001260085106 782519109 /nfs/dbraw/zinc/51/91/09/782519109.db2.gz MIOJYJQUEMTZAD-QMMMGPOBSA-N 1 2 276.318 -1.313 20 0 CAADLO NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1nc[nH]n1)C2 ZINC001098186778 782521751 /nfs/dbraw/zinc/52/17/51/782521751.db2.gz WAHLESYPMSNKDV-HLTSFMKQSA-N 1 2 278.316 -1.446 20 0 CAADLO NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1nc[nH]n1)C2 ZINC001098186778 782521762 /nfs/dbraw/zinc/52/17/62/782521762.db2.gz WAHLESYPMSNKDV-HLTSFMKQSA-N 1 2 278.316 -1.446 20 0 CAADLO NC(=O)C(=O)N1C[C@@H]2C[N@@H+](Cc3csnn3)C[C@@H]2C1 ZINC001049020635 782525409 /nfs/dbraw/zinc/52/54/09/782525409.db2.gz HNFLADYESJEOSM-OCAPTIKFSA-N 1 2 281.341 -1.086 20 0 CAADLO NC(=O)C(=O)N1C[C@@H]2C[N@H+](Cc3csnn3)C[C@@H]2C1 ZINC001049020635 782525416 /nfs/dbraw/zinc/52/54/16/782525416.db2.gz HNFLADYESJEOSM-OCAPTIKFSA-N 1 2 281.341 -1.086 20 0 CAADLO CCn1ncnc1C[N@H+]1C[C@H]2CN(C(=O)C(N)=O)C[C@H]2C1 ZINC001049021506 782526343 /nfs/dbraw/zinc/52/63/43/782526343.db2.gz XBYCYGWWKMFYKG-AOOOYVTPSA-N 1 2 292.343 -1.327 20 0 CAADLO CCn1ncnc1C[N@@H+]1C[C@H]2CN(C(=O)C(N)=O)C[C@H]2C1 ZINC001049021506 782526350 /nfs/dbraw/zinc/52/63/50/782526350.db2.gz XBYCYGWWKMFYKG-AOOOYVTPSA-N 1 2 292.343 -1.327 20 0 CAADLO Cn1ncnc1C[N@H+]1C[C@H]2CN(C(=O)C(N)=O)C[C@H]2C1 ZINC001049020991 782527174 /nfs/dbraw/zinc/52/71/74/782527174.db2.gz NTKRNTRCSIURCQ-DTORHVGOSA-N 1 2 278.316 -1.809 20 0 CAADLO Cn1ncnc1C[N@@H+]1C[C@H]2CN(C(=O)C(N)=O)C[C@H]2C1 ZINC001049020991 782527183 /nfs/dbraw/zinc/52/71/83/782527183.db2.gz NTKRNTRCSIURCQ-DTORHVGOSA-N 1 2 278.316 -1.809 20 0 CAADLO O=C(N[C@@H]1CCC[N@@H+](CCO)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000384374108 782528225 /nfs/dbraw/zinc/52/82/25/782528225.db2.gz JGIPLFISQNZPCL-GHMZBOCLSA-N 1 2 290.385 -1.006 20 0 CAADLO O=C(N[C@@H]1CCC[N@H+](CCO)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000384374108 782528233 /nfs/dbraw/zinc/52/82/33/782528233.db2.gz JGIPLFISQNZPCL-GHMZBOCLSA-N 1 2 290.385 -1.006 20 0 CAADLO Cn1nnc(C(=O)N2CCC[C@H]3[C@@H]2CC[N@@H+]3CC(N)=O)n1 ZINC001049652162 782537389 /nfs/dbraw/zinc/53/73/89/782537389.db2.gz RGHOIBAAOINMKZ-IUCAKERBSA-N 1 2 293.331 -1.626 20 0 CAADLO Cn1nnc(C(=O)N2CCC[C@H]3[C@@H]2CC[N@H+]3CC(N)=O)n1 ZINC001049652162 782537398 /nfs/dbraw/zinc/53/73/98/782537398.db2.gz RGHOIBAAOINMKZ-IUCAKERBSA-N 1 2 293.331 -1.626 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C(N)=O ZINC001049683673 782538560 /nfs/dbraw/zinc/53/85/60/782538560.db2.gz PXAKWYZFSDOBQH-YUMQZZPRSA-N 1 2 254.290 -1.978 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C(N)=O ZINC001049683673 782538567 /nfs/dbraw/zinc/53/85/67/782538567.db2.gz PXAKWYZFSDOBQH-YUMQZZPRSA-N 1 2 254.290 -1.978 20 0 CAADLO Cn1nncc1C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C(N)=O ZINC001049692996 782538207 /nfs/dbraw/zinc/53/82/07/782538207.db2.gz WBKHRJOOFZSQHA-GHMZBOCLSA-N 1 2 292.343 -1.134 20 0 CAADLO Cn1nncc1C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C(N)=O ZINC001049692996 782538216 /nfs/dbraw/zinc/53/82/16/782538216.db2.gz WBKHRJOOFZSQHA-GHMZBOCLSA-N 1 2 292.343 -1.134 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C(N)=O ZINC001049683671 782539246 /nfs/dbraw/zinc/53/92/46/782539246.db2.gz PXAKWYZFSDOBQH-JGVFFNPUSA-N 1 2 254.290 -1.978 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C(N)=O ZINC001049683671 782539254 /nfs/dbraw/zinc/53/92/54/782539254.db2.gz PXAKWYZFSDOBQH-JGVFFNPUSA-N 1 2 254.290 -1.978 20 0 CAADLO CNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1COCCO1)C2 ZINC001096825387 782542667 /nfs/dbraw/zinc/54/26/67/782542667.db2.gz BLGUHZPCYCCQTM-WYUUTHIRSA-N 1 2 297.355 -1.131 20 0 CAADLO CNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1COCCO1)C2 ZINC001096825387 782542676 /nfs/dbraw/zinc/54/26/76/782542676.db2.gz BLGUHZPCYCCQTM-WYUUTHIRSA-N 1 2 297.355 -1.131 20 0 CAADLO Cc1c(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(N)=O)nnn1C ZINC001096909180 782542255 /nfs/dbraw/zinc/54/22/55/782542255.db2.gz NOIWRWAJNYIGQA-BBBLOLIVSA-N 1 2 292.343 -1.056 20 0 CAADLO Cc1c(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(N)=O)nnn1C ZINC001096909180 782542260 /nfs/dbraw/zinc/54/22/60/782542260.db2.gz NOIWRWAJNYIGQA-BBBLOLIVSA-N 1 2 292.343 -1.056 20 0 CAADLO NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCNC(=O)C1)C2 ZINC001096948071 782542502 /nfs/dbraw/zinc/54/25/02/782542502.db2.gz SYKIEOJLKHOAIS-ZDCRXTMVSA-N 1 2 294.355 -1.281 20 0 CAADLO NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCNC(=O)C1)C2 ZINC001096948071 782542504 /nfs/dbraw/zinc/54/25/04/782542504.db2.gz SYKIEOJLKHOAIS-ZDCRXTMVSA-N 1 2 294.355 -1.281 20 0 CAADLO NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CN1CCCC1=O)C2 ZINC001096785882 782543068 /nfs/dbraw/zinc/54/30/68/782543068.db2.gz ZXCOOBABCXFJIN-MXWKQRLJSA-N 1 2 294.355 -1.184 20 0 CAADLO NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CN1CCCC1=O)C2 ZINC001096785882 782543074 /nfs/dbraw/zinc/54/30/74/782543074.db2.gz ZXCOOBABCXFJIN-MXWKQRLJSA-N 1 2 294.355 -1.184 20 0 CAADLO C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CC(N)=O)C1 ZINC001096912260 782543212 /nfs/dbraw/zinc/54/32/12/782543212.db2.gz DGZXHIUVEWADEX-WYUUTHIRSA-N 1 2 296.371 -1.476 20 0 CAADLO C[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CC(N)=O)C1 ZINC001096912260 782543216 /nfs/dbraw/zinc/54/32/16/782543216.db2.gz DGZXHIUVEWADEX-WYUUTHIRSA-N 1 2 296.371 -1.476 20 0 CAADLO NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC(=O)N1)C2 ZINC001096884175 782543443 /nfs/dbraw/zinc/54/34/43/782543443.db2.gz LSYHMMGOVFKDBZ-KYXWUPHJSA-N 1 2 280.328 -1.528 20 0 CAADLO NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC(=O)N1)C2 ZINC001096884175 782543448 /nfs/dbraw/zinc/54/34/48/782543448.db2.gz LSYHMMGOVFKDBZ-KYXWUPHJSA-N 1 2 280.328 -1.528 20 0 CAADLO NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1COCCO1)C2 ZINC001096826706 782543548 /nfs/dbraw/zinc/54/35/48/782543548.db2.gz RPEMTXRTCGIFKS-CHWFTXMASA-N 1 2 283.328 -1.391 20 0 CAADLO NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1COCCO1)C2 ZINC001096826706 782543554 /nfs/dbraw/zinc/54/35/54/782543554.db2.gz RPEMTXRTCGIFKS-CHWFTXMASA-N 1 2 283.328 -1.391 20 0 CAADLO CNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC(=O)N1)C2 ZINC001096884146 782543760 /nfs/dbraw/zinc/54/37/60/782543760.db2.gz JWDSVYDEEKWDFO-DBIOUOCHSA-N 1 2 294.355 -1.268 20 0 CAADLO CNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC(=O)N1)C2 ZINC001096884146 782543763 /nfs/dbraw/zinc/54/37/63/782543763.db2.gz JWDSVYDEEKWDFO-DBIOUOCHSA-N 1 2 294.355 -1.268 20 0 CAADLO NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1COC(=O)N1)C2 ZINC001097026674 782544229 /nfs/dbraw/zinc/54/42/29/782544229.db2.gz PJZMQSGKQKHDRV-HXFLIBJXSA-N 1 2 282.300 -1.698 20 0 CAADLO CNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1COC(=O)N1)C2 ZINC001097021355 782544158 /nfs/dbraw/zinc/54/41/58/782544158.db2.gz AXGGAZICKFNLPE-IMSYWVGJSA-N 1 2 296.327 -1.438 20 0 CAADLO CNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1COC(=O)N1)C2 ZINC001097021355 782544165 /nfs/dbraw/zinc/54/41/65/782544165.db2.gz AXGGAZICKFNLPE-IMSYWVGJSA-N 1 2 296.327 -1.438 20 0 CAADLO NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1COC(=O)N1)C2 ZINC001097026674 782544239 /nfs/dbraw/zinc/54/42/39/782544239.db2.gz PJZMQSGKQKHDRV-HXFLIBJXSA-N 1 2 282.300 -1.698 20 0 CAADLO Cn1oc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(N)=O)cc1=O ZINC001097009153 782544574 /nfs/dbraw/zinc/54/45/74/782544574.db2.gz OKJCIWALZYLKDZ-HLTSFMKQSA-N 1 2 294.311 -1.201 20 0 CAADLO Cn1oc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(N)=O)cc1=O ZINC001097009153 782544582 /nfs/dbraw/zinc/54/45/82/782544582.db2.gz OKJCIWALZYLKDZ-HLTSFMKQSA-N 1 2 294.311 -1.201 20 0 CAADLO Cn1ncc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(N)=O)c1N ZINC001096986889 782544629 /nfs/dbraw/zinc/54/46/29/782544629.db2.gz KKOWAODDFPCHOZ-QNSHHTMESA-N 1 2 292.343 -1.177 20 0 CAADLO Cn1ncc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(N)=O)c1N ZINC001096986889 782544643 /nfs/dbraw/zinc/54/46/43/782544643.db2.gz KKOWAODDFPCHOZ-QNSHHTMESA-N 1 2 292.343 -1.177 20 0 CAADLO CNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1nccn1)C2 ZINC001097144732 782545055 /nfs/dbraw/zinc/54/50/55/782545055.db2.gz VXSPMSHNKOVRIO-MXWKQRLJSA-N 1 2 292.343 -1.254 20 0 CAADLO CNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1nccn1)C2 ZINC001097144732 782545057 /nfs/dbraw/zinc/54/50/57/782545057.db2.gz VXSPMSHNKOVRIO-MXWKQRLJSA-N 1 2 292.343 -1.254 20 0 CAADLO CNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1COC(=O)N1)C2 ZINC001097021356 782545898 /nfs/dbraw/zinc/54/58/98/782545898.db2.gz AXGGAZICKFNLPE-KYXWUPHJSA-N 1 2 296.327 -1.438 20 0 CAADLO CNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1COC(=O)N1)C2 ZINC001097021356 782545905 /nfs/dbraw/zinc/54/59/05/782545905.db2.gz AXGGAZICKFNLPE-KYXWUPHJSA-N 1 2 296.327 -1.438 20 0 CAADLO O=S(=O)(c1ncc[nH]1)N1CCNCC[NH2+]CC1 ZINC001262195504 782546018 /nfs/dbraw/zinc/54/60/18/782546018.db2.gz CLMCPJJFFSRTKI-UHFFFAOYSA-N 1 2 259.335 -1.407 20 0 CAADLO CNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1nnn(C)n1)C2 ZINC001097659841 782546454 /nfs/dbraw/zinc/54/64/54/782546454.db2.gz XGFHDWSXOZTLRP-HLTSFMKQSA-N 1 2 293.331 -1.709 20 0 CAADLO CNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1nnn(C)n1)C2 ZINC001097659841 782546459 /nfs/dbraw/zinc/54/64/59/782546459.db2.gz XGFHDWSXOZTLRP-HLTSFMKQSA-N 1 2 293.331 -1.709 20 0 CAADLO NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC(=O)NC1)C2 ZINC001097399637 782546811 /nfs/dbraw/zinc/54/68/11/782546811.db2.gz DQPXNJSEYRQXMB-ZDCRXTMVSA-N 1 2 294.355 -1.281 20 0 CAADLO NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC(=O)NC1)C2 ZINC001097399637 782546818 /nfs/dbraw/zinc/54/68/18/782546818.db2.gz DQPXNJSEYRQXMB-ZDCRXTMVSA-N 1 2 294.355 -1.281 20 0 CAADLO Cc1nn[nH]c1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(N)=O ZINC001097629663 782547423 /nfs/dbraw/zinc/54/74/23/782547423.db2.gz MCAPQRMWRNBAEX-HLTSFMKQSA-N 1 2 278.316 -1.066 20 0 CAADLO Cc1nn[nH]c1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(N)=O ZINC001097629663 782547427 /nfs/dbraw/zinc/54/74/27/782547427.db2.gz MCAPQRMWRNBAEX-HLTSFMKQSA-N 1 2 278.316 -1.066 20 0 CAADLO C[C@@H]1OCCO[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(N)=O ZINC001097252475 782547753 /nfs/dbraw/zinc/54/77/53/782547753.db2.gz MEMDCKHMFAGRKA-YHMTXAQFSA-N 1 2 297.355 -1.003 20 0 CAADLO C[C@@H]1OCCO[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(N)=O ZINC001097252475 782547759 /nfs/dbraw/zinc/54/77/59/782547759.db2.gz MEMDCKHMFAGRKA-YHMTXAQFSA-N 1 2 297.355 -1.003 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1nnn(C)n1)C2 ZINC001097659099 782548455 /nfs/dbraw/zinc/54/84/55/782548455.db2.gz IPUKTSGRADKHRY-BGZDPUMWSA-N 1 2 293.331 -1.581 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1nnn(C)n1)C2 ZINC001097659099 782548459 /nfs/dbraw/zinc/54/84/59/782548459.db2.gz IPUKTSGRADKHRY-BGZDPUMWSA-N 1 2 293.331 -1.581 20 0 CAADLO CN1C[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(N)=O)NC1=O ZINC001097649500 782548494 /nfs/dbraw/zinc/54/84/94/782548494.db2.gz PANPUNXBUXIBQY-KYXWUPHJSA-N 1 2 295.343 -1.783 20 0 CAADLO CN1C[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(N)=O)NC1=O ZINC001097649500 782548502 /nfs/dbraw/zinc/54/85/02/782548502.db2.gz PANPUNXBUXIBQY-KYXWUPHJSA-N 1 2 295.343 -1.783 20 0 CAADLO NC(=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H]1CCC(=O)NC1=O ZINC001097764901 782549144 /nfs/dbraw/zinc/54/91/44/782549144.db2.gz ONJMTFUVVLQQEI-HXFLIBJXSA-N 1 2 294.311 -2.002 20 0 CAADLO NC(=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H]1CCC(=O)NC1=O ZINC001097764901 782549150 /nfs/dbraw/zinc/54/91/50/782549150.db2.gz ONJMTFUVVLQQEI-HXFLIBJXSA-N 1 2 294.311 -2.002 20 0 CAADLO NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CNC(=O)N1)C2 ZINC001097755414 782549996 /nfs/dbraw/zinc/54/99/96/782549996.db2.gz FGPABMRPFMYGQU-HXFLIBJXSA-N 1 2 281.316 -2.125 20 0 CAADLO NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CNC(=O)N1)C2 ZINC001097755414 782550002 /nfs/dbraw/zinc/55/00/02/782550002.db2.gz FGPABMRPFMYGQU-HXFLIBJXSA-N 1 2 281.316 -2.125 20 0 CAADLO NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1c[nH]c(=O)cn1)C2 ZINC001097738744 782550356 /nfs/dbraw/zinc/55/03/56/782550356.db2.gz GJIWORVOXJTOMX-MRTMQBJTSA-N 1 2 291.311 -1.410 20 0 CAADLO NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1c[nH]c(=O)cn1)C2 ZINC001097738744 782550360 /nfs/dbraw/zinc/55/03/60/782550360.db2.gz GJIWORVOXJTOMX-MRTMQBJTSA-N 1 2 291.311 -1.410 20 0 CAADLO CC[C@@H](C(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(N)=O)C2 ZINC001097767327 782550965 /nfs/dbraw/zinc/55/09/65/782550965.db2.gz AMTGYLQPDYPJMI-HXFLIBJXSA-N 1 2 268.317 -1.543 20 0 CAADLO CC[C@@H](C(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(N)=O)C2 ZINC001097767327 782550971 /nfs/dbraw/zinc/55/09/71/782550971.db2.gz AMTGYLQPDYPJMI-HXFLIBJXSA-N 1 2 268.317 -1.543 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(N)=O)C2 ZINC001097766369 782551252 /nfs/dbraw/zinc/55/12/52/782551252.db2.gz NQVHZUIKIHXFGB-KDXUFGMBSA-N 1 2 268.317 -1.672 20 0 CAADLO CNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(N)=O)C2 ZINC001097766369 782551258 /nfs/dbraw/zinc/55/12/58/782551258.db2.gz NQVHZUIKIHXFGB-KDXUFGMBSA-N 1 2 268.317 -1.672 20 0 CAADLO NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[C@H]1C(N)=O)C2 ZINC001097861792 782551330 /nfs/dbraw/zinc/55/13/30/782551330.db2.gz VIPGXYJDLRUVKA-SPFKKGSWSA-N 1 2 280.328 -1.685 20 0 CAADLO NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[C@H]1C(N)=O)C2 ZINC001097861792 782551334 /nfs/dbraw/zinc/55/13/34/782551334.db2.gz VIPGXYJDLRUVKA-SPFKKGSWSA-N 1 2 280.328 -1.685 20 0 CAADLO CN(C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(N)=O)C2)C1CC1 ZINC001097765499 782551764 /nfs/dbraw/zinc/55/17/64/782551764.db2.gz ZMRNCVJRPBIGSE-MXWKQRLJSA-N 1 2 294.355 -1.186 20 0 CAADLO CN(C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(N)=O)C2)C1CC1 ZINC001097765499 782551754 /nfs/dbraw/zinc/55/17/54/782551754.db2.gz ZMRNCVJRPBIGSE-MXWKQRLJSA-N 1 2 294.355 -1.186 20 0 CAADLO Cn1cnnc1C[N@@H+]1CCC[C@H](NC(=O)C(N)=O)CC1 ZINC001052672260 782552115 /nfs/dbraw/zinc/55/21/15/782552115.db2.gz OAXAOXKQWBFFIZ-VIFPVBQESA-N 1 2 280.332 -1.229 20 0 CAADLO Cn1cnnc1C[N@H+]1CCC[C@H](NC(=O)C(N)=O)CC1 ZINC001052672260 782552122 /nfs/dbraw/zinc/55/21/22/782552122.db2.gz OAXAOXKQWBFFIZ-VIFPVBQESA-N 1 2 280.332 -1.229 20 0 CAADLO Cn1ncnc1C[N@@H+]1CCC[C@H](NC(=O)C(N)=O)CC1 ZINC001052672281 782552249 /nfs/dbraw/zinc/55/22/49/782552249.db2.gz OGMBFAWQPVBGIF-VIFPVBQESA-N 1 2 280.332 -1.229 20 0 CAADLO Cn1ncnc1C[N@H+]1CCC[C@H](NC(=O)C(N)=O)CC1 ZINC001052672281 782552251 /nfs/dbraw/zinc/55/22/51/782552251.db2.gz OGMBFAWQPVBGIF-VIFPVBQESA-N 1 2 280.332 -1.229 20 0 CAADLO CN1CC[C@H]([N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)C(N)=O)C3)C1=O ZINC001097767851 782552319 /nfs/dbraw/zinc/55/23/19/782552319.db2.gz OKDLZSZWDJYCBM-IMSYWVGJSA-N 1 2 280.328 -1.576 20 0 CAADLO CN1CC[C@H]([N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)C(N)=O)C3)C1=O ZINC001097767851 782552327 /nfs/dbraw/zinc/55/23/27/782552327.db2.gz OKDLZSZWDJYCBM-IMSYWVGJSA-N 1 2 280.328 -1.576 20 0 CAADLO Cn1[nH]c(C[N@@H+]2CCC[C@H](NC(=O)C(N)=O)CC2)nc1=O ZINC001052672283 782552655 /nfs/dbraw/zinc/55/26/55/782552655.db2.gz OIAQSXJKMZIULA-QMMMGPOBSA-N 1 2 296.331 -1.936 20 0 CAADLO Cn1[nH]c(C[N@H+]2CCC[C@H](NC(=O)C(N)=O)CC2)nc1=O ZINC001052672283 782552658 /nfs/dbraw/zinc/55/26/58/782552658.db2.gz OIAQSXJKMZIULA-QMMMGPOBSA-N 1 2 296.331 -1.936 20 0 CAADLO Cn1nnnc1C[N@@H+]1CCC[C@H](NC(=O)C(N)=O)CC1 ZINC001052672416 782552708 /nfs/dbraw/zinc/55/27/08/782552708.db2.gz QCUUBMGBVZLGFK-QMMMGPOBSA-N 1 2 281.320 -1.834 20 0 CAADLO Cn1nnnc1C[N@H+]1CCC[C@H](NC(=O)C(N)=O)CC1 ZINC001052672416 782552713 /nfs/dbraw/zinc/55/27/13/782552713.db2.gz QCUUBMGBVZLGFK-QMMMGPOBSA-N 1 2 281.320 -1.834 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@@H](NC(=O)Cc2nnc[nH]2)CC1 ZINC001052851961 782554849 /nfs/dbraw/zinc/55/48/49/782554849.db2.gz DGIVOBHIDIOMGO-SECBINFHSA-N 1 2 280.332 -1.197 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@@H](NC(=O)Cc2nnc[nH]2)CC1 ZINC001052851961 782554856 /nfs/dbraw/zinc/55/48/56/782554856.db2.gz DGIVOBHIDIOMGO-SECBINFHSA-N 1 2 280.332 -1.197 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@H](NC(=O)c2ncn[nH]2)CC1 ZINC001052801395 782555004 /nfs/dbraw/zinc/55/50/04/782555004.db2.gz STRIXZOYAUNBLP-QMMMGPOBSA-N 1 2 266.305 -1.126 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@H](NC(=O)c2ncn[nH]2)CC1 ZINC001052801395 782555014 /nfs/dbraw/zinc/55/50/14/782555014.db2.gz STRIXZOYAUNBLP-QMMMGPOBSA-N 1 2 266.305 -1.126 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@H](NC(=O)Cc2nnc[nH]2)CC1 ZINC001052851962 782555456 /nfs/dbraw/zinc/55/54/56/782555456.db2.gz DGIVOBHIDIOMGO-VIFPVBQESA-N 1 2 280.332 -1.197 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@H](NC(=O)Cc2nnc[nH]2)CC1 ZINC001052851962 782555469 /nfs/dbraw/zinc/55/54/69/782555469.db2.gz DGIVOBHIDIOMGO-VIFPVBQESA-N 1 2 280.332 -1.197 20 0 CAADLO CO[C@@H](C)C[NH+]1CC2(C1)CN(C(=O)CC(N)=O)CCO2 ZINC001053196256 782560445 /nfs/dbraw/zinc/56/04/45/782560445.db2.gz PNDXPDXUMXLEQX-JTQLQIEISA-N 1 2 285.344 -1.190 20 0 CAADLO O=C(Cn1ncnn1)N1CCOC2(C[NH+](CCCF)C2)C1 ZINC001053257013 782563375 /nfs/dbraw/zinc/56/33/75/782563375.db2.gz HWKPFECOWKNGRQ-UHFFFAOYSA-N 1 2 298.322 -1.054 20 0 CAADLO CCC[NH+]1CC2(C1)CN(C(=O)Cn1ncnn1)CCO2 ZINC001053257092 782563491 /nfs/dbraw/zinc/56/34/91/782563491.db2.gz LBUAORAFMKIHAF-UHFFFAOYSA-N 1 2 280.332 -1.004 20 0 CAADLO C[C@@H]1CN(C(=O)C(N)=O)C[C@@H]1CNC(=O)Cc1c[nH]c[nH+]1 ZINC001053311308 782565543 /nfs/dbraw/zinc/56/55/43/782565543.db2.gz CSIMTSUAUJTYKN-BDAKNGLRSA-N 1 2 293.327 -1.352 20 0 CAADLO C[C@H]1CN(C(=O)C(N)=O)C[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001053317840 782565577 /nfs/dbraw/zinc/56/55/77/782565577.db2.gz RAMZSNUINGBJAW-VHSXEESVSA-N 1 2 293.327 -1.421 20 0 CAADLO C[C@@H]1CN(C(=O)C(N)=O)C[C@H]1CNC(=O)Cc1c[nH]c[nH+]1 ZINC001053311311 782565707 /nfs/dbraw/zinc/56/57/07/782565707.db2.gz CSIMTSUAUJTYKN-RKDXNWHRSA-N 1 2 293.327 -1.352 20 0 CAADLO CC(C)[NH+]1CC2(C1)CN(C(=O)[C@H]1CNC(=O)N1)CCO2 ZINC001053401979 782568093 /nfs/dbraw/zinc/56/80/93/782568093.db2.gz GDMNJQXRPVBEAR-SNVBAGLBSA-N 1 2 282.344 -1.011 20 0 CAADLO CCC[NH+]1CC2(C1)CN(C(=O)[C@H]1CNC(=O)N1)CCO2 ZINC001053402273 782568470 /nfs/dbraw/zinc/56/84/70/782568470.db2.gz JJCIYELUDQRGDD-SNVBAGLBSA-N 1 2 282.344 -1.009 20 0 CAADLO CO[C@@H](C)C[NH+]1CC2(C1)CN(C(=O)C(N)=O)CCO2 ZINC001053404632 782569450 /nfs/dbraw/zinc/56/94/50/782569450.db2.gz OWTZIIBTLKVXNS-VIFPVBQESA-N 1 2 271.317 -1.580 20 0 CAADLO Cn1c[nH+]cc1CN1CC2(C1)CN(C(=O)C(N)=O)CCO2 ZINC001053404471 782569522 /nfs/dbraw/zinc/56/95/22/782569522.db2.gz GTFIESIPGWFILD-UHFFFAOYSA-N 1 2 293.327 -1.681 20 0 CAADLO CC[NH+]1CC2(C1)CN(C(=O)[C@H]1CC[C@@H](C(N)=O)O1)CCO2 ZINC001053426016 782570131 /nfs/dbraw/zinc/57/01/31/782570131.db2.gz IHRJLWQIJSRQMD-WDEREUQCSA-N 1 2 297.355 -1.048 20 0 CAADLO CC[C@H](C[NH+]1CC2(C1)CN(C(=O)C(N)=O)CCO2)OC ZINC001053404697 782570665 /nfs/dbraw/zinc/57/06/65/782570665.db2.gz RQGRQWVUKCZNAK-SNVBAGLBSA-N 1 2 285.344 -1.190 20 0 CAADLO CC[NH+]1CC2(C1)CN(C(=O)C[C@@H]1CC(=O)NC1=O)CCO2 ZINC001053553371 782571466 /nfs/dbraw/zinc/57/14/66/782571466.db2.gz NNSCOBRPNICVBW-JTQLQIEISA-N 1 2 295.339 -1.028 20 0 CAADLO C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1CNC(=O)C(N)=O ZINC001053503133 782571873 /nfs/dbraw/zinc/57/18/73/782571873.db2.gz IHDIEKLHCRSBDD-DTWKUNHWSA-N 1 2 293.327 -1.352 20 0 CAADLO CC[N@@H+](CCNC(=O)C(N)=O)CC(=O)N(C)C(C)C ZINC001267248759 775219679 /nfs/dbraw/zinc/21/96/79/775219679.db2.gz HVILUKFQXXPJPL-UHFFFAOYSA-N 1 2 272.349 -1.223 20 0 CAADLO COC[C@H](C)OC[C@H](O)C[NH2+]Cc1nnn(C)n1 ZINC000398055946 775152253 /nfs/dbraw/zinc/15/22/53/775152253.db2.gz YPNLYNQWMISTFZ-DTWKUNHWSA-N 1 2 259.310 -1.288 20 0 CAADLO CC[N@H+](CCNC(=O)C(N)=O)CC(=O)N(C)C(C)C ZINC001267248759 775219665 /nfs/dbraw/zinc/21/96/65/775219665.db2.gz HVILUKFQXXPJPL-UHFFFAOYSA-N 1 2 272.349 -1.223 20 0 CAADLO Cc1noc([C@H](C)[NH2+]CCNC(=O)[C@@H]2CNC(=O)N2)n1 ZINC001133121734 776763484 /nfs/dbraw/zinc/76/34/84/776763484.db2.gz MEEGRZORTIRKBR-XPUUQOCRSA-N 1 2 282.304 -1.174 20 0 CAADLO NC(=O)C(=O)NCC[NH2+]Cc1nnnn1CC(F)(F)F ZINC001133195619 776769804 /nfs/dbraw/zinc/76/98/04/776769804.db2.gz FSRZRJKZQBPGEP-UHFFFAOYSA-N 1 2 295.225 -2.074 20 0 CAADLO NC(=O)C(=O)NCC[NH2+]Cc1nc(-c2ccncn2)no1 ZINC001133195678 776770098 /nfs/dbraw/zinc/77/00/98/776770098.db2.gz ICEUDNJYEMHPQH-UHFFFAOYSA-N 1 2 291.271 -1.782 20 0 CAADLO Cn1nc(C2CC2)nc1C[NH2+]CCNC(=O)C(N)=O ZINC001133196042 776770186 /nfs/dbraw/zinc/77/01/86/776770186.db2.gz LPLQLBOIRNNLCK-UHFFFAOYSA-N 1 2 266.305 -1.616 20 0 CAADLO C[C@@H]1CCN(C(=O)Cc2ncn[nH]2)C[C@H]1C[NH2+]CC(N)=O ZINC001133238169 776773437 /nfs/dbraw/zinc/77/34/37/776773437.db2.gz PZBDKUITKVBZQD-NXEZZACHSA-N 1 2 294.359 -1.093 20 0 CAADLO CC(C)(C)c1nnc(C[NH2+]CCNC(=O)C(N)=O)[nH]1 ZINC001133206554 776773676 /nfs/dbraw/zinc/77/36/76/776773676.db2.gz VWWWIHLTMALHAA-UHFFFAOYSA-N 1 2 268.321 -1.207 20 0 CAADLO Cc1nocc1C(=O)NCC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001133228057 776774115 /nfs/dbraw/zinc/77/41/15/776774115.db2.gz VVGONYXHSMQOFS-UHFFFAOYSA-N 1 2 280.288 -1.076 20 0 CAADLO C[C@@H]1CCN(C(=O)Cc2ncn[nH]2)C[C@@H]1C[NH2+]CC(N)=O ZINC001133238172 776774825 /nfs/dbraw/zinc/77/48/25/776774825.db2.gz PZBDKUITKVBZQD-ZJUUUORDSA-N 1 2 294.359 -1.093 20 0 CAADLO CC[NH+]1CC2(C1)CN(C(=O)CN1C(=O)CNC1=O)CCO2 ZINC001053527838 782572107 /nfs/dbraw/zinc/57/21/07/782572107.db2.gz ZRIGALZIKPFJPV-UHFFFAOYSA-N 1 2 296.327 -1.529 20 0 CAADLO NC(=O)C1(C(=O)NC[C@H](CO)[NH2+]Cc2nccs2)CC1 ZINC001283797991 777919392 /nfs/dbraw/zinc/91/93/92/777919392.db2.gz TVIKETALDFERMV-MRVPVSSYSA-N 1 2 298.368 -1.025 20 0 CAADLO CCn1cc(C[NH2+][C@@H](CO)CNC(=O)C(N)=O)nn1 ZINC001283797971 777919760 /nfs/dbraw/zinc/91/97/60/777919760.db2.gz TUKMKOWZNFHIQR-MRVPVSSYSA-N 1 2 270.293 -2.650 20 0 CAADLO C[C@H](CNC(=O)[C@H]1CCc2c[nH+]cn2C1)NC(=O)C(N)=O ZINC001284268838 777932856 /nfs/dbraw/zinc/93/28/56/777932856.db2.gz PZSFMAZCDMWVQZ-BDAKNGLRSA-N 1 2 293.327 -1.448 20 0 CAADLO C[C@H](CCNC(=O)C(N)=O)NC(=O)Cc1[nH]cc[nH+]1 ZINC001284451499 777944390 /nfs/dbraw/zinc/94/43/90/777944390.db2.gz LKEMTEKBEWBTBX-SSDOTTSWSA-N 1 2 267.289 -1.552 20 0 CAADLO Cn1c[nH+]cc1CC(=O)N1CCOC2(CN(CCO)C2)C1 ZINC001053509552 782572814 /nfs/dbraw/zinc/57/28/14/782572814.db2.gz JPTCFLQBNWMMGG-UHFFFAOYSA-N 1 2 294.355 -1.132 20 0 CAADLO Cn1nnnc1CC[N@@H+]1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC001119252304 779610164 /nfs/dbraw/zinc/61/01/64/779610164.db2.gz ASNNIFFZQWNCBN-ZETCQYMHSA-N 1 2 265.277 -2.011 20 0 CAADLO Cn1nnnc1CC[N@H+]1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC001119252304 779610168 /nfs/dbraw/zinc/61/01/68/779610168.db2.gz ASNNIFFZQWNCBN-ZETCQYMHSA-N 1 2 265.277 -2.011 20 0 CAADLO Cn1nnnc1CC[N@@H+]1CCN2C(=O)NC(=O)[C@H]2C1 ZINC001119252303 779610223 /nfs/dbraw/zinc/61/02/23/779610223.db2.gz ASNNIFFZQWNCBN-SSDOTTSWSA-N 1 2 265.277 -2.011 20 0 CAADLO Cn1nnnc1CC[N@H+]1CCN2C(=O)NC(=O)[C@H]2C1 ZINC001119252303 779610227 /nfs/dbraw/zinc/61/02/27/779610227.db2.gz ASNNIFFZQWNCBN-SSDOTTSWSA-N 1 2 265.277 -2.011 20 0 CAADLO O=Cc1cnc(N2CC3(C2)CC(=O)NCC[NH2+]3)nc1 ZINC001119287615 779610444 /nfs/dbraw/zinc/61/04/44/779610444.db2.gz LVUGHPVMJMYUGE-UHFFFAOYSA-N 1 2 261.285 -1.043 20 0 CAADLO O=C(CN1CCNC(=O)C1)NCCc1[nH]cc[nH+]1 ZINC001119526400 779616404 /nfs/dbraw/zinc/61/64/04/779616404.db2.gz DHIXUFDFZWWDMN-UHFFFAOYSA-N 1 2 251.290 -1.500 20 0 CAADLO Cn1c[nH+]c(CCNC(=O)C(=O)N2CC=C[C@@H]2CO)c1 ZINC001119558725 779617035 /nfs/dbraw/zinc/61/70/35/779617035.db2.gz ATMGBMIJLWJTNJ-LLVKDONJSA-N 1 2 278.312 -1.162 20 0 CAADLO OC[C@@H]1COCC[N@@H+]1C[C@@H](O)C1(O)CCOCC1 ZINC001119771946 779626296 /nfs/dbraw/zinc/62/62/96/779626296.db2.gz RHFHXMXTEALEPV-GHMZBOCLSA-N 1 2 261.318 -1.418 20 0 CAADLO OC[C@@H]1COCC[N@H+]1C[C@@H](O)C1(O)CCOCC1 ZINC001119771946 779626302 /nfs/dbraw/zinc/62/63/02/779626302.db2.gz RHFHXMXTEALEPV-GHMZBOCLSA-N 1 2 261.318 -1.418 20 0 CAADLO C[C@@H](O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CS(C)(=O)=O)C1 ZINC001206364626 780108868 /nfs/dbraw/zinc/10/88/68/780108868.db2.gz KOTWEJCUAJTGHU-OPRDCNLKSA-N 1 2 278.374 -1.152 20 0 CAADLO C[C@@H](O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CS(C)(=O)=O)C1 ZINC001206364626 780108873 /nfs/dbraw/zinc/10/88/73/780108873.db2.gz KOTWEJCUAJTGHU-OPRDCNLKSA-N 1 2 278.374 -1.152 20 0 CAADLO C[NH+]1CCN(C(=O)C(=O)N2CC[C@H](C3OCCO3)C2)CC1 ZINC001120395366 779635591 /nfs/dbraw/zinc/63/55/91/779635591.db2.gz UWLIHZQFVMSBJZ-NSHDSACASA-N 1 2 297.355 -1.018 20 0 CAADLO C[NH+]1CCN(C(=O)C(=O)N2CC[C@@H](C3OCCO3)C2)CC1 ZINC001120395365 779635654 /nfs/dbraw/zinc/63/56/54/779635654.db2.gz UWLIHZQFVMSBJZ-LLVKDONJSA-N 1 2 297.355 -1.018 20 0 CAADLO Cn1c[nH+]c(CCNC(=O)C(=O)N[C@@H]2CNOC2)c1 ZINC001120514890 779639960 /nfs/dbraw/zinc/63/99/60/779639960.db2.gz KDELQTBDVJDGNC-SECBINFHSA-N 1 2 267.289 -1.902 20 0 CAADLO CN1CC[N@H+](C)C[C@H]1CNC(=O)N1CCNCC[NH2+]CC1 ZINC001120595743 779642865 /nfs/dbraw/zinc/64/28/65/779642865.db2.gz IZLWGDYVWYASFE-CYBMUJFWSA-N 1 2 298.435 -1.563 20 0 CAADLO CC(C)(CNC(=O)Cn1ncnn1)[NH+]1CCOCC1 ZINC001120896152 779644499 /nfs/dbraw/zinc/64/44/99/779644499.db2.gz JVNKGGWDWTYJCB-UHFFFAOYSA-N 1 2 268.321 -1.100 20 0 CAADLO C[C@H](C(=O)N[C@@H]1COC(=O)C1)N1CC[NH2+]CC1=O ZINC001122221726 779662381 /nfs/dbraw/zinc/66/23/81/779662381.db2.gz ISZLHDLTRYVNJF-SFYZADRCSA-N 1 2 255.274 -1.762 20 0 CAADLO C[C@@H](C(=O)N[C@@H]1COC(=O)C1)N1CC[NH2+]CC1=O ZINC001122221727 779662441 /nfs/dbraw/zinc/66/24/41/779662441.db2.gz ISZLHDLTRYVNJF-YUMQZZPRSA-N 1 2 255.274 -1.762 20 0 CAADLO C[C@H](C(=O)N[C@]1(C)CCNC1=O)N1CC[NH2+]CC1=O ZINC001122377015 779666406 /nfs/dbraw/zinc/66/64/06/779666406.db2.gz HULRYCAODWCYTN-PRHODGIISA-N 1 2 268.317 -1.799 20 0 CAADLO C[C@]1(NC(=O)CN2CC[NH2+]CC2=O)CCNC1=O ZINC001122378552 779666542 /nfs/dbraw/zinc/66/65/42/779666542.db2.gz XOBYBUUHJOBCEX-NSHDSACASA-N 1 2 254.290 -2.187 20 0 CAADLO C[C@@H](C(=O)N[C@@]1(C)CCNC1=O)N1CC[NH2+]CC1=O ZINC001122377019 779666628 /nfs/dbraw/zinc/66/66/28/779666628.db2.gz HULRYCAODWCYTN-UFBFGSQYSA-N 1 2 268.317 -1.799 20 0 CAADLO Cn1[nH]c(C[NH2+]CCNC(=O)CCCC(N)=O)nc1=O ZINC001153455386 779839029 /nfs/dbraw/zinc/83/90/29/779839029.db2.gz IFZNYNVNEKCJCR-UHFFFAOYSA-N 1 2 284.320 -2.030 20 0 CAADLO NC(=O)CCCC(=O)NCC[NH2+]Cc1cnon1 ZINC001153461689 779839183 /nfs/dbraw/zinc/83/91/83/779839183.db2.gz NQEDYOLTHGESOO-UHFFFAOYSA-N 1 2 255.278 -1.069 20 0 CAADLO CC(=O)N(C)CC(=O)NCC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001123809751 779694226 /nfs/dbraw/zinc/69/42/26/779694226.db2.gz FMWWKFJRBIJGGV-UHFFFAOYSA-N 1 2 284.320 -2.208 20 0 CAADLO Cn1[nH]c(C[NH2+]CCNC(=O)c2ccon2)nc1=O ZINC001124192143 779705767 /nfs/dbraw/zinc/70/57/67/779705767.db2.gz YRVSVTICMFVYOD-UHFFFAOYSA-N 1 2 266.261 -1.384 20 0 CAADLO Cc1cc(C(=O)NCC[NH2+]Cc2nc(=O)n(C)[nH]2)n(C)n1 ZINC001124257685 779708009 /nfs/dbraw/zinc/70/80/09/779708009.db2.gz RYZJCMAOAUGBEO-UHFFFAOYSA-N 1 2 293.331 -1.330 20 0 CAADLO Cc1nc(N(C)C[C@@H](O)CN(C)C(=O)C(N)=O)cc[nH+]1 ZINC001125241941 779725988 /nfs/dbraw/zinc/72/59/88/779725988.db2.gz OYXHSJJJEJPARO-SECBINFHSA-N 1 2 281.316 -1.474 20 0 CAADLO NC(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC001142930768 779763832 /nfs/dbraw/zinc/76/38/32/779763832.db2.gz JVSOZDXOUBNIJZ-UHFFFAOYSA-N 1 2 267.289 -1.361 20 0 CAADLO NC(=O)C(=O)N1CCCn2nnc(Cn3cc[nH+]c3)c2C1 ZINC001142932319 779763849 /nfs/dbraw/zinc/76/38/49/779763849.db2.gz WQUSGPZAUKIPKA-UHFFFAOYSA-N 1 2 289.299 -1.260 20 0 CAADLO CCc1noc(C[NH2+]CCNC(=O)CCNC(N)=O)n1 ZINC001150431359 779794921 /nfs/dbraw/zinc/79/49/21/779794921.db2.gz ATNWPGMMUPORNZ-UHFFFAOYSA-N 1 2 284.320 -1.104 20 0 CAADLO C[C@@H](CS(C)(=O)=O)C(=O)NCC[NH2+]Cc1cnon1 ZINC001152618472 779827732 /nfs/dbraw/zinc/82/77/32/779827732.db2.gz OCUGPPYVRMYHEE-QMMMGPOBSA-N 1 2 290.345 -1.044 20 0 CAADLO COCCN(C(=O)[C@@H]([NH3+])Cc1nn[nH]n1)C(C)C ZINC001160464033 779960583 /nfs/dbraw/zinc/96/05/83/779960583.db2.gz VPLLYRUQMYSNMU-QMMMGPOBSA-N 1 2 256.310 -1.047 20 0 CAADLO O=C(CCc1nn[nH]n1)NCC[N@@H+]1CCCOCC1 ZINC001118961481 779600233 /nfs/dbraw/zinc/60/02/33/779600233.db2.gz ROTUPMBERDSOBK-UHFFFAOYSA-N 1 2 268.321 -1.029 20 0 CAADLO O=C(CCc1nn[nH]n1)NCC[N@H+]1CCCOCC1 ZINC001118961481 779600238 /nfs/dbraw/zinc/60/02/38/779600238.db2.gz ROTUPMBERDSOBK-UHFFFAOYSA-N 1 2 268.321 -1.029 20 0 CAADLO NC(=O)C1(C(=O)N2CCO[C@H](C[NH+]3CCOCC3)C2)CC1 ZINC001118981902 779602352 /nfs/dbraw/zinc/60/23/52/779602352.db2.gz DOTVOFVTDMOISW-LLVKDONJSA-N 1 2 297.355 -1.189 20 0 CAADLO Cn1nnnc1CC[N@@H+]1CCOC[C@H]1CC(N)=O ZINC001119253385 779609630 /nfs/dbraw/zinc/60/96/30/779609630.db2.gz IRPDQWXHBQDONF-MRVPVSSYSA-N 1 2 254.294 -1.671 20 0 CAADLO Cn1nnnc1CC[N@H+]1CCOC[C@H]1CC(N)=O ZINC001119253385 779609637 /nfs/dbraw/zinc/60/96/37/779609637.db2.gz IRPDQWXHBQDONF-MRVPVSSYSA-N 1 2 254.294 -1.671 20 0 CAADLO COC(=O)CNC(=S)N1CC[NH2+]C[C@H]1C(=O)OC ZINC001239443844 780535895 /nfs/dbraw/zinc/53/58/95/780535895.db2.gz PXFPVUWTPMPOLM-ZETCQYMHSA-N 1 2 275.330 -1.519 20 0 CAADLO COC(=O)CCNC(=S)N1CC[NH2+]C[C@H]1C(=O)OC ZINC001239443983 780536475 /nfs/dbraw/zinc/53/64/75/780536475.db2.gz RDSKWTLQHFMLFT-QMMMGPOBSA-N 1 2 289.357 -1.129 20 0 CAADLO CCN1C(=O)CN([C@@H]2C[NH2+][C@H](C(=O)OC)C2)CC1=O ZINC001246604430 780558701 /nfs/dbraw/zinc/55/87/01/780558701.db2.gz SNISLGMBOKMJFQ-IUCAKERBSA-N 1 2 269.301 -1.419 20 0 CAADLO C[C@@H](C[NH+](C)C)NS(=O)(=O)CS(C)(=O)=O ZINC001260594208 780652741 /nfs/dbraw/zinc/65/27/41/780652741.db2.gz KFZUVQDLTMYOFK-ZETCQYMHSA-N 1 2 258.365 -1.142 20 0 CAADLO CN1C(=O)C(=O)N(CC(=O)NCCn2cc[nH+]c2)C1=O ZINC001251810392 780577498 /nfs/dbraw/zinc/57/74/98/780577498.db2.gz GCPBZROTQQXRAC-UHFFFAOYSA-N 1 2 279.256 -1.580 20 0 CAADLO NC(=O)CN1CC[NH+](CCn2ccccc2=O)CC1 ZINC001253789914 780595488 /nfs/dbraw/zinc/59/54/88/780595488.db2.gz YICPCBLKZLJJLU-UHFFFAOYSA-N 1 2 264.329 -1.049 20 0 CAADLO NC(=O)NC1(C(=O)N2CC[NH+](CCO)CC2)CC1 ZINC001253935600 780596374 /nfs/dbraw/zinc/59/63/74/780596374.db2.gz RZSFRCNXZMBWNN-UHFFFAOYSA-N 1 2 256.306 -1.676 20 0 CAADLO COCC[NH+]1CCN(C(=O)C(=O)N[C@H]2[C@@H]3COC[C@@H]32)CC1 ZINC001260403246 780649839 /nfs/dbraw/zinc/64/98/39/780649839.db2.gz DSGNGFDYNSODAC-GDNZZTSVSA-N 1 2 297.355 -1.462 20 0 CAADLO O=C(NCC1(O)C[NH+](CCCO)C1)[C@@H]1CCOC1 ZINC001278843486 780612466 /nfs/dbraw/zinc/61/24/66/780612466.db2.gz DFCJPITWUFHLDA-SNVBAGLBSA-N 1 2 258.318 -1.432 20 0 CAADLO COC[C@H](C)[NH+]1CC(O)(CNC(=O)[C@H]2CCCNC2=O)C1 ZINC001278877484 780617422 /nfs/dbraw/zinc/61/74/22/780617422.db2.gz LBHYIRQGQKZXBN-QWRGUYRKSA-N 1 2 299.371 -1.290 20 0 CAADLO CO[C@H](C)C[NH+]1CC(O)(CNC(=O)[C@@H]2CCCNC2=O)C1 ZINC001278878500 780617491 /nfs/dbraw/zinc/61/74/91/780617491.db2.gz ZTMBFOFUGIDBET-GHMZBOCLSA-N 1 2 299.371 -1.290 20 0 CAADLO CC[NH+]1CC(O)(CNC(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC001278895882 780618726 /nfs/dbraw/zinc/61/87/26/780618726.db2.gz HSBVTQPNRGZVAT-QMMMGPOBSA-N 1 2 256.306 -1.807 20 0 CAADLO O=C1CNC(=O)N1CCC[N@H+]1CCOC[C@H]1CO ZINC001255937334 780619269 /nfs/dbraw/zinc/61/92/69/780619269.db2.gz GFOJZDYIHLQUND-SECBINFHSA-N 1 2 257.290 -1.379 20 0 CAADLO O=C1CNC(=O)N1CCC[N@@H+]1CCOC[C@H]1CO ZINC001255937334 780619274 /nfs/dbraw/zinc/61/92/74/780619274.db2.gz GFOJZDYIHLQUND-SECBINFHSA-N 1 2 257.290 -1.379 20 0 CAADLO COCC[N@H+](CCNC(=O)C(N)=O)[C@H](C)C(N)=O ZINC001279048420 780630754 /nfs/dbraw/zinc/63/07/54/780630754.db2.gz BTRXWTGSEJQDLT-SSDOTTSWSA-N 1 2 260.294 -2.590 20 0 CAADLO COCC[N@@H+](CCNC(=O)C(N)=O)[C@H](C)C(N)=O ZINC001279048420 780630755 /nfs/dbraw/zinc/63/07/55/780630755.db2.gz BTRXWTGSEJQDLT-SSDOTTSWSA-N 1 2 260.294 -2.590 20 0 CAADLO C[C@@]1(NC(=O)Cc2[nH]cc[nH+]2)CCN(C(=O)C(N)=O)C1 ZINC001299567688 780639116 /nfs/dbraw/zinc/63/91/16/780639116.db2.gz DVHNQZIUVUTHAX-GFCCVEGCSA-N 1 2 279.300 -1.455 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)CCCC(N)=O)[C@@H](O)C1 ZINC001221169144 780405724 /nfs/dbraw/zinc/40/57/24/780405724.db2.gz QQIPGZLZVPHIJS-YIZRAAEISA-N 1 2 286.332 -2.323 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)CCCC(N)=O)[C@@H](O)C1 ZINC001221169144 780405727 /nfs/dbraw/zinc/40/57/27/780405727.db2.gz QQIPGZLZVPHIJS-YIZRAAEISA-N 1 2 286.332 -2.323 20 0 CAADLO CCNC(=O)CN1C[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H](O)C1 ZINC001221164512 780405961 /nfs/dbraw/zinc/40/59/61/780405961.db2.gz JQLVOPDLWKJUKK-MNOVXSKESA-N 1 2 295.343 -1.820 20 0 CAADLO [NH3+][C@@H](Cc1nn[nH]n1)C(=O)NCC(=O)NCC(F)(F)F ZINC001221278116 780412934 /nfs/dbraw/zinc/41/29/34/780412934.db2.gz HXXLWLFPLFUOKJ-BYPYZUCNSA-N 1 2 295.225 -2.136 20 0 CAADLO COC(=O)[C@@H]([NH3+])CC(=O)N[C@H]1CCCNC(=O)C1 ZINC001221269241 780413011 /nfs/dbraw/zinc/41/30/11/780413011.db2.gz KCYMKSFYNCAXJS-YUMQZZPRSA-N 1 2 257.290 -1.338 20 0 CAADLO [NH3+][C@@H](Cc1nn[nH]n1)C(=O)N[C@@H]1CCCNC(=O)C1 ZINC001221269648 780413141 /nfs/dbraw/zinc/41/31/41/780413141.db2.gz SNKPAQQBLDCMQS-RQJHMYQMSA-N 1 2 267.293 -2.146 20 0 CAADLO C[C@]1(NC(=O)Cc2[nH]cc[nH+]2)CCN(C(=O)C(N)=O)C1 ZINC001299567691 780639563 /nfs/dbraw/zinc/63/95/63/780639563.db2.gz DVHNQZIUVUTHAX-LBPRGKRZSA-N 1 2 279.300 -1.455 20 0 CAADLO CCNC(=O)CC(=O)NC[C@@H]1CC[N@@H+]1[C@H]1CCCNC1=O ZINC001276834435 780426976 /nfs/dbraw/zinc/42/69/76/780426976.db2.gz LFVBYDYDFKSCLQ-QWRGUYRKSA-N 1 2 296.371 -1.018 20 0 CAADLO CCNC(=O)CC(=O)NC[C@@H]1CC[N@H+]1[C@H]1CCCNC1=O ZINC001276834435 780426979 /nfs/dbraw/zinc/42/69/79/780426979.db2.gz LFVBYDYDFKSCLQ-QWRGUYRKSA-N 1 2 296.371 -1.018 20 0 CAADLO CCNC(=O)CC(=O)NC[C@@H]1CC[N@@H+]1[C@H](C)C(=O)NC ZINC001276834471 780427097 /nfs/dbraw/zinc/42/70/97/780427097.db2.gz LLUKPCLVRDSWEJ-ZJUUUORDSA-N 1 2 284.360 -1.162 20 0 CAADLO CCNC(=O)CC(=O)NC[C@@H]1CC[N@H+]1[C@H](C)C(=O)NC ZINC001276834471 780427102 /nfs/dbraw/zinc/42/71/02/780427102.db2.gz LLUKPCLVRDSWEJ-ZJUUUORDSA-N 1 2 284.360 -1.162 20 0 CAADLO CCNC(=O)CC(=O)NC[C@@H]1CC[N@@H+]1[C@@H](C)C(=O)NC ZINC001276834468 780427248 /nfs/dbraw/zinc/42/72/48/780427248.db2.gz LLUKPCLVRDSWEJ-UWVGGRQHSA-N 1 2 284.360 -1.162 20 0 CAADLO CCNC(=O)CC(=O)NC[C@@H]1CC[N@H+]1[C@@H](C)C(=O)NC ZINC001276834468 780427256 /nfs/dbraw/zinc/42/72/56/780427256.db2.gz LLUKPCLVRDSWEJ-UWVGGRQHSA-N 1 2 284.360 -1.162 20 0 CAADLO O=C(NC[C@@H]1CCC2(C[NH+](CCO)C2)O1)[C@@H]1COC(=O)N1 ZINC001053596426 782573798 /nfs/dbraw/zinc/57/37/98/782573798.db2.gz UGWQDMPFHUYBEU-UWVGGRQHSA-N 1 2 299.327 -1.563 20 0 CAADLO CCN(C)C(=O)C[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CCNC1=O ZINC001276898769 780431068 /nfs/dbraw/zinc/43/10/68/780431068.db2.gz LMCZVTYGIMKLII-QWRGUYRKSA-N 1 2 296.371 -1.209 20 0 CAADLO CCN(C)C(=O)C[N@H+]1CC[C@H]1CNC(=O)[C@H]1CCNC1=O ZINC001276898769 780431072 /nfs/dbraw/zinc/43/10/72/780431072.db2.gz LMCZVTYGIMKLII-QWRGUYRKSA-N 1 2 296.371 -1.209 20 0 CAADLO Cn1nncc1C(=O)NC[C@H]1CCC2(C[NH+](CCO)C2)O1 ZINC001053598359 782573957 /nfs/dbraw/zinc/57/39/57/782573957.db2.gz SFQUSKAGUVBCMX-SNVBAGLBSA-N 1 2 295.343 -1.229 20 0 CAADLO O=C(NC[C@@H]1CCC2(C[NH+](CCO)C2)O1)[C@H]1CNC(=O)N1 ZINC001053656270 782573976 /nfs/dbraw/zinc/57/39/76/782573976.db2.gz VAXJXBISMMCQAG-VHSXEESVSA-N 1 2 298.343 -1.990 20 0 CAADLO CCOC(=O)[C@H]([NH3+])CNS(=O)(=O)CCCC(=O)OC ZINC001238840698 780524440 /nfs/dbraw/zinc/52/44/40/780524440.db2.gz SZPYMJZVROQXDN-MRVPVSSYSA-N 1 2 296.345 -1.251 20 0 CAADLO CNC(=O)[C@@H]1CN(C(=O)Cn2cc[nH+]c2)CCO1 ZINC001261217865 780659396 /nfs/dbraw/zinc/65/93/96/780659396.db2.gz ANFHLHCUAHOKHX-VIFPVBQESA-N 1 2 252.274 -1.144 20 0 CAADLO O=C(NCCCc1n[nH]c(=O)[nH]1)[C@H]1C[NH2+]CCO1 ZINC001261459069 780664202 /nfs/dbraw/zinc/66/42/02/780664202.db2.gz XCVQHBHNNIPXGX-SSDOTTSWSA-N 1 2 255.278 -1.453 20 0 CAADLO C[C@H]([NH3+])CCNC(=O)Cn1[nH]cc2c(=O)ncnc1-2 ZINC001261880346 780692152 /nfs/dbraw/zinc/69/21/52/780692152.db2.gz XPAYTLKKWXKRIW-ZETCQYMHSA-N 1 2 264.289 -1.075 20 0 CAADLO OC[C@H]1CN(C[C@@H](O)C[NH+]2CCOCC2)CCO1 ZINC000380205989 780727774 /nfs/dbraw/zinc/72/77/74/780727774.db2.gz KALYJUCGLVOGPU-NWDGAFQWSA-N 1 2 260.334 -1.627 20 0 CAADLO OC[C@H]1C[N@H+](C[C@@H](O)CN2CCOCC2)CCO1 ZINC000380205989 780727781 /nfs/dbraw/zinc/72/77/81/780727781.db2.gz KALYJUCGLVOGPU-NWDGAFQWSA-N 1 2 260.334 -1.627 20 0 CAADLO OC[C@H]1C[N@@H+](C[C@@H](O)CN2CCOCC2)CCO1 ZINC000380205989 780727787 /nfs/dbraw/zinc/72/77/87/780727787.db2.gz KALYJUCGLVOGPU-NWDGAFQWSA-N 1 2 260.334 -1.627 20 0 CAADLO OC[C@@H]1CN(C[C@@H](O)C[NH+]2CCOCC2)CCO1 ZINC000380205990 780728160 /nfs/dbraw/zinc/72/81/60/780728160.db2.gz KALYJUCGLVOGPU-RYUDHWBXSA-N 1 2 260.334 -1.627 20 0 CAADLO OC[C@@H]1C[N@H+](C[C@@H](O)CN2CCOCC2)CCO1 ZINC000380205990 780728164 /nfs/dbraw/zinc/72/81/64/780728164.db2.gz KALYJUCGLVOGPU-RYUDHWBXSA-N 1 2 260.334 -1.627 20 0 CAADLO OC[C@@H]1C[N@@H+](C[C@@H](O)CN2CCOCC2)CCO1 ZINC000380205990 780728165 /nfs/dbraw/zinc/72/81/65/780728165.db2.gz KALYJUCGLVOGPU-RYUDHWBXSA-N 1 2 260.334 -1.627 20 0 CAADLO Cc1[nH+]c[nH]c1CNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC000380196284 780728296 /nfs/dbraw/zinc/72/82/96/780728296.db2.gz ZOZPILNCBDSMRZ-LURJTMIESA-N 1 2 251.246 -1.068 20 0 CAADLO C[C@H](O)C(=O)N1CCC[N@H+](CC(=O)N(C)C)CC1 ZINC001177735344 781624462 /nfs/dbraw/zinc/62/44/62/781624462.db2.gz GAYGMCNJCGBUOC-JTQLQIEISA-N 1 2 257.334 -1.010 20 0 CAADLO C[C@H](O)C(=O)N1CCC[N@@H+](CC(=O)N(C)C)CC1 ZINC001177735344 781624467 /nfs/dbraw/zinc/62/44/67/781624467.db2.gz GAYGMCNJCGBUOC-JTQLQIEISA-N 1 2 257.334 -1.010 20 0 CAADLO Cc1conc1C[NH2+]CCN(CCO)C(=O)C(N)=O ZINC001279809921 780776333 /nfs/dbraw/zinc/77/63/33/780776333.db2.gz LZPDJIDSRXCALE-UHFFFAOYSA-N 1 2 270.289 -1.621 20 0 CAADLO O=C(c1cn[nH]n1)N(CCO)CC[NH2+]Cc1ncccn1 ZINC001279753436 780776751 /nfs/dbraw/zinc/77/67/51/780776751.db2.gz MMZIGIJVFCNVRU-UHFFFAOYSA-N 1 2 291.315 -1.181 20 0 CAADLO CN(C[C@H]1CCCN1C(=O)Cc1[nH]cc[nH+]1)C(=O)C(N)=O ZINC001279883295 780778044 /nfs/dbraw/zinc/77/80/44/780778044.db2.gz IBZUKXACDGWXNB-SECBINFHSA-N 1 2 293.327 -1.113 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+](C)[C@H](C)CNC(=O)c1nnc[nH]1 ZINC001282467230 780818178 /nfs/dbraw/zinc/81/81/78/780818178.db2.gz GSDPKUAKZUWHIN-HTQZYQBOSA-N 1 2 268.321 -1.011 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+](C)[C@H](C)CNC(=O)c1nnc[nH]1 ZINC001282467230 780818183 /nfs/dbraw/zinc/81/81/83/780818183.db2.gz GSDPKUAKZUWHIN-HTQZYQBOSA-N 1 2 268.321 -1.011 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+](C)[C@H](C)CNC(=O)c1ncn[nH]1 ZINC001282467230 780818191 /nfs/dbraw/zinc/81/81/91/780818191.db2.gz GSDPKUAKZUWHIN-HTQZYQBOSA-N 1 2 268.321 -1.011 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+](C)[C@H](C)CNC(=O)c1ncn[nH]1 ZINC001282467230 780818192 /nfs/dbraw/zinc/81/81/92/780818192.db2.gz GSDPKUAKZUWHIN-HTQZYQBOSA-N 1 2 268.321 -1.011 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+](C)[C@H](C)CNC(=O)c1nc[nH]n1 ZINC001282467230 780818199 /nfs/dbraw/zinc/81/81/99/780818199.db2.gz GSDPKUAKZUWHIN-HTQZYQBOSA-N 1 2 268.321 -1.011 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+](C)[C@H](C)CNC(=O)c1nc[nH]n1 ZINC001282467230 780818202 /nfs/dbraw/zinc/81/82/02/780818202.db2.gz GSDPKUAKZUWHIN-HTQZYQBOSA-N 1 2 268.321 -1.011 20 0 CAADLO CNC(=O)C[N@H+](C)[C@H](C)CNC(=O)C(=O)NCC1CC1 ZINC001282478560 780818961 /nfs/dbraw/zinc/81/89/61/780818961.db2.gz QGCBATMWRDFKCA-SECBINFHSA-N 1 2 284.360 -1.305 20 0 CAADLO CNC(=O)C[N@@H+](C)[C@H](C)CNC(=O)C(=O)NCC1CC1 ZINC001282478560 780818974 /nfs/dbraw/zinc/81/89/74/780818974.db2.gz QGCBATMWRDFKCA-SECBINFHSA-N 1 2 284.360 -1.305 20 0 CAADLO C[C@@H](CNC(=O)c1nnc[nH]1)[N@H+](C)[C@@H](C)C(N)=O ZINC001282466757 780819287 /nfs/dbraw/zinc/81/92/87/780819287.db2.gz DGCVWIBFIBXGDS-BQBZGAKWSA-N 1 2 254.294 -1.271 20 0 CAADLO C[C@@H](CNC(=O)c1nnc[nH]1)[N@@H+](C)[C@@H](C)C(N)=O ZINC001282466757 780819297 /nfs/dbraw/zinc/81/92/97/780819297.db2.gz DGCVWIBFIBXGDS-BQBZGAKWSA-N 1 2 254.294 -1.271 20 0 CAADLO C[C@@H](CNC(=O)c1ncn[nH]1)[N@H+](C)[C@@H](C)C(N)=O ZINC001282466757 780819308 /nfs/dbraw/zinc/81/93/08/780819308.db2.gz DGCVWIBFIBXGDS-BQBZGAKWSA-N 1 2 254.294 -1.271 20 0 CAADLO C[C@@H](CNC(=O)c1ncn[nH]1)[N@@H+](C)[C@@H](C)C(N)=O ZINC001282466757 780819321 /nfs/dbraw/zinc/81/93/21/780819321.db2.gz DGCVWIBFIBXGDS-BQBZGAKWSA-N 1 2 254.294 -1.271 20 0 CAADLO C[C@@H](CNC(=O)c1nc[nH]n1)[N@H+](C)[C@@H](C)C(N)=O ZINC001282466757 780819326 /nfs/dbraw/zinc/81/93/26/780819326.db2.gz DGCVWIBFIBXGDS-BQBZGAKWSA-N 1 2 254.294 -1.271 20 0 CAADLO C[C@@H](CNC(=O)c1nc[nH]n1)[N@@H+](C)[C@@H](C)C(N)=O ZINC001282466757 780819337 /nfs/dbraw/zinc/81/93/37/780819337.db2.gz DGCVWIBFIBXGDS-BQBZGAKWSA-N 1 2 254.294 -1.271 20 0 CAADLO COCCOCC[NH+]1CCN(C(=O)C2(O)COC2)CC1 ZINC001144291987 781448050 /nfs/dbraw/zinc/44/80/50/781448050.db2.gz XSUYRZPDKXLBHP-UHFFFAOYSA-N 1 2 288.344 -1.445 20 0 CAADLO Cn1cc[nH+]c1CCNS(=O)(=O)CS(C)(=O)=O ZINC001260599107 780655244 /nfs/dbraw/zinc/65/52/44/780655244.db2.gz ZSGKDJSFHALSFH-UHFFFAOYSA-N 1 2 281.359 -1.116 20 0 CAADLO O=C(N[C@H]1COC2(C[NH+](CCO)C2)C1)c1cc[n+]([O-])cc1 ZINC001053724936 782574083 /nfs/dbraw/zinc/57/40/83/782574083.db2.gz UPQNMPYZMKKASV-GFCCVEGCSA-N 1 2 293.323 -1.115 20 0 CAADLO O=C(N[C@@H]1COC2(C[NH+](CCO)C2)C1)c1cc[n+]([O-])cc1 ZINC001053724937 782574112 /nfs/dbraw/zinc/57/41/12/782574112.db2.gz UPQNMPYZMKKASV-LBPRGKRZSA-N 1 2 293.323 -1.115 20 0 CAADLO NC(=O)[C@@H]1C[C@@H]1C(=O)NC[C@H]1CCC2(C[NH+](CCO)C2)O1 ZINC001053663313 782574453 /nfs/dbraw/zinc/57/44/53/782574453.db2.gz MJIHIAGRNZFRGE-MXWKQRLJSA-N 1 2 297.355 -1.550 20 0 CAADLO O=C(NC[C@H]1CCC2(C[NH+](CCO)C2)O1)[C@@H]1COC(=O)N1 ZINC001053596428 782574663 /nfs/dbraw/zinc/57/46/63/782574663.db2.gz UGWQDMPFHUYBEU-ZJUUUORDSA-N 1 2 299.327 -1.563 20 0 CAADLO Cn1ncc(C(=O)NC[C@H]2CCC3(C[NH+](CCO)C3)O2)n1 ZINC001053677841 782574743 /nfs/dbraw/zinc/57/47/43/782574743.db2.gz BWOCVOHEIWAEML-SNVBAGLBSA-N 1 2 295.343 -1.229 20 0 CAADLO O=C(NC[C@@H]1CCC2(C[NH+](CCO)C2)O1)c1cn[nH]n1 ZINC001053620075 782574772 /nfs/dbraw/zinc/57/47/72/782574772.db2.gz FTNZMHSGBIRMEJ-VIFPVBQESA-N 1 2 281.316 -1.240 20 0 CAADLO O=C(NC[C@H]1CCC2(C[NH+](CCO)C2)O1)[C@@H]1CCNC1=O ZINC001053643106 782574798 /nfs/dbraw/zinc/57/47/98/782574798.db2.gz VCAXHHMFKPGNOB-GHMZBOCLSA-N 1 2 297.355 -1.536 20 0 CAADLO Cn1cc(C(=O)NC[C@@H]2CCC3(C[NH+](CCO)C3)O2)nn1 ZINC001053597743 782574855 /nfs/dbraw/zinc/57/48/55/782574855.db2.gz HRJGPCHTNCUXLP-JTQLQIEISA-N 1 2 295.343 -1.229 20 0 CAADLO Cn1nncc1C(=O)NC[C@@H]1CCC2(C[NH+](CCO)C2)O1 ZINC001053598358 782574889 /nfs/dbraw/zinc/57/48/89/782574889.db2.gz SFQUSKAGUVBCMX-JTQLQIEISA-N 1 2 295.343 -1.229 20 0 CAADLO O=C(Cn1cccn1)N[C@H]1COC2(C[NH+](CCO)C2)C1 ZINC001053736889 782575495 /nfs/dbraw/zinc/57/54/95/782575495.db2.gz BVZOAFLXAFLUGA-LLVKDONJSA-N 1 2 280.328 -1.165 20 0 CAADLO O=C(N[C@H]1COC2(C[NH+](CCO)C2)C1)c1ccc(=O)[nH]n1 ZINC001053729886 782575710 /nfs/dbraw/zinc/57/57/10/782575710.db2.gz UZJNQTGMPCVFLO-SECBINFHSA-N 1 2 294.311 -1.252 20 0 CAADLO Cn1cc(C(=O)N[C@@H]2COC3(C[NH+](CCO)C3)C2)cn1 ZINC001053735420 782576032 /nfs/dbraw/zinc/57/60/32/782576032.db2.gz FPEBLWMTLISBAA-NSHDSACASA-N 1 2 280.328 -1.015 20 0 CAADLO O=C(N[C@@H]1COC2(C[NH+](CCO)C2)C1)c1cn[nH]c1 ZINC001053746659 782576437 /nfs/dbraw/zinc/57/64/37/782576437.db2.gz JNGXCNPOCMBZKP-JTQLQIEISA-N 1 2 266.301 -1.025 20 0 CAADLO O=C(Cn1cnnn1)N[C@H]1COC2(C[NH+](CCCF)C2)C1 ZINC001053733172 782576554 /nfs/dbraw/zinc/57/65/54/782576554.db2.gz ODWHXMMSHPYUEG-SNVBAGLBSA-N 1 2 298.322 -1.008 20 0 CAADLO Cn1nccc1C(=O)N[C@@H]1COC2(C[NH+](CCO)C2)C1 ZINC001053756228 782577124 /nfs/dbraw/zinc/57/71/24/782577124.db2.gz RLQFBBNWYIHXBR-JTQLQIEISA-N 1 2 280.328 -1.015 20 0 CAADLO O=C(N[C@H]1COC2(C[NH+](CCO)C2)C1)[C@H]1CCOC1 ZINC001053755213 782577708 /nfs/dbraw/zinc/57/77/08/782577708.db2.gz ZWOFUXMCIZLUJO-WDEREUQCSA-N 1 2 270.329 -1.025 20 0 CAADLO O=C(N[C@@H]1COC2(C[NH+](CCO)C2)C1)[C@@H]1CCOC1 ZINC001053755211 782577834 /nfs/dbraw/zinc/57/78/34/782577834.db2.gz ZWOFUXMCIZLUJO-MNOVXSKESA-N 1 2 270.329 -1.025 20 0 CAADLO CC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)NC(N)=O)C[C@H]1O ZINC001190580634 781876283 /nfs/dbraw/zinc/87/62/83/781876283.db2.gz JMPJMYBMJDOPTH-LPBLVHEISA-N 1 2 258.278 -2.249 20 0 CAADLO CC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)NC(N)=O)C[C@H]1O ZINC001190580634 781876295 /nfs/dbraw/zinc/87/62/95/781876295.db2.gz JMPJMYBMJDOPTH-LPBLVHEISA-N 1 2 258.278 -2.249 20 0 CAADLO COCC(=O)N[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]1O ZINC001190588224 781876432 /nfs/dbraw/zinc/87/64/32/781876432.db2.gz LJEKDSQXEMFYQI-RKDXNWHRSA-N 1 2 259.306 -2.118 20 0 CAADLO COCC(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1O ZINC001190588224 781876444 /nfs/dbraw/zinc/87/64/44/781876444.db2.gz LJEKDSQXEMFYQI-RKDXNWHRSA-N 1 2 259.306 -2.118 20 0 CAADLO CC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)NC(N)=O)C[C@H]1O ZINC001190580635 781876852 /nfs/dbraw/zinc/87/68/52/781876852.db2.gz JMPJMYBMJDOPTH-UIISKDMLSA-N 1 2 258.278 -2.249 20 0 CAADLO CC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC(N)=O)C[C@H]1O ZINC001190580635 781876862 /nfs/dbraw/zinc/87/68/62/781876862.db2.gz JMPJMYBMJDOPTH-UIISKDMLSA-N 1 2 258.278 -2.249 20 0 CAADLO COCC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCCC2)C[C@H]1O ZINC001190588269 781877680 /nfs/dbraw/zinc/87/76/80/781877680.db2.gz MTUXLEJPJDUVIE-GHMZBOCLSA-N 1 2 285.344 -1.584 20 0 CAADLO COCC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCCC2)C[C@H]1O ZINC001190588269 781877685 /nfs/dbraw/zinc/87/76/85/781877685.db2.gz MTUXLEJPJDUVIE-GHMZBOCLSA-N 1 2 285.344 -1.584 20 0 CAADLO CCCC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@H]1O ZINC001190684852 781884284 /nfs/dbraw/zinc/88/42/84/781884284.db2.gz MZUJNCXUSFZQLI-OPRDCNLKSA-N 1 2 255.318 -1.164 20 0 CAADLO CCCC(=O)N[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@H]1O ZINC001190684852 781884295 /nfs/dbraw/zinc/88/42/95/781884295.db2.gz MZUJNCXUSFZQLI-OPRDCNLKSA-N 1 2 255.318 -1.164 20 0 CAADLO CC(=O)NCC(=O)N[C@@H]1C[N@H+]([C@@H]2CCN(C)C2=O)C[C@H]1O ZINC001190717882 781884348 /nfs/dbraw/zinc/88/43/48/781884348.db2.gz QATGMJZZUHHYNT-GMTAPVOTSA-N 1 2 298.343 -2.486 20 0 CAADLO CC(=O)NCC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCN(C)C2=O)C[C@H]1O ZINC001190717882 781884356 /nfs/dbraw/zinc/88/43/56/781884356.db2.gz QATGMJZZUHHYNT-GMTAPVOTSA-N 1 2 298.343 -2.486 20 0 CAADLO CC(=O)NCC(=O)N[C@@H]1CN(Cc2c[nH+]cn2C)C[C@H]1O ZINC001190676920 781884763 /nfs/dbraw/zinc/88/47/63/781884763.db2.gz URMWCTBJPNNLOE-VXGBXAGGSA-N 1 2 295.343 -1.783 20 0 CAADLO CC[C@@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CNC(C)=O)C1 ZINC001190718281 781884889 /nfs/dbraw/zinc/88/48/89/781884889.db2.gz YGWDFFAAKIRHQY-KXUCPTDWSA-N 1 2 286.332 -2.452 20 0 CAADLO CC[C@@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)CNC(C)=O)C1 ZINC001190718281 781884902 /nfs/dbraw/zinc/88/49/02/781884902.db2.gz YGWDFFAAKIRHQY-KXUCPTDWSA-N 1 2 286.332 -2.452 20 0 CAADLO CC(=O)NCC(=O)N[C@@H]1C[N@H+]([C@H]2CCN(C)C2=O)C[C@H]1O ZINC001190717883 781885320 /nfs/dbraw/zinc/88/53/20/781885320.db2.gz QATGMJZZUHHYNT-OUAUKWLOSA-N 1 2 298.343 -2.486 20 0 CAADLO CC(=O)NCC(=O)N[C@@H]1C[N@@H+]([C@H]2CCN(C)C2=O)C[C@H]1O ZINC001190717883 781885327 /nfs/dbraw/zinc/88/53/27/781885327.db2.gz QATGMJZZUHHYNT-OUAUKWLOSA-N 1 2 298.343 -2.486 20 0 CAADLO CC(=O)NCC(=O)N[C@@H]1C[N@H+](Cc2cncs2)C[C@H]1O ZINC001190717808 781885587 /nfs/dbraw/zinc/88/55/87/781885587.db2.gz NZKJWBYTKVBUDG-GHMZBOCLSA-N 1 2 298.368 -1.060 20 0 CAADLO CC(=O)NCC(=O)N[C@@H]1C[N@@H+](Cc2cncs2)C[C@H]1O ZINC001190717808 781885592 /nfs/dbraw/zinc/88/55/92/781885592.db2.gz NZKJWBYTKVBUDG-GHMZBOCLSA-N 1 2 298.368 -1.060 20 0 CAADLO CCOCCCC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@H]1O ZINC001191287148 781902498 /nfs/dbraw/zinc/90/24/98/781902498.db2.gz OGCWTSROZWALJJ-IJLUTSLNSA-N 1 2 299.371 -1.147 20 0 CAADLO CCOCCCC(=O)N[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@H]1O ZINC001191287148 781902505 /nfs/dbraw/zinc/90/25/05/781902505.db2.gz OGCWTSROZWALJJ-IJLUTSLNSA-N 1 2 299.371 -1.147 20 0 CAADLO CC(C)OCC(=O)N[C@@H]1C[N@@H+]([C@H]2CCN(C)C2=O)C[C@H]1O ZINC001191541109 781912133 /nfs/dbraw/zinc/91/21/33/781912133.db2.gz ZLCOGNWMIUCGFE-GRYCIOLGSA-N 1 2 299.371 -1.197 20 0 CAADLO CC(C)OCC(=O)N[C@@H]1C[N@H+]([C@H]2CCN(C)C2=O)C[C@H]1O ZINC001191541109 781912140 /nfs/dbraw/zinc/91/21/40/781912140.db2.gz ZLCOGNWMIUCGFE-GRYCIOLGSA-N 1 2 299.371 -1.197 20 0 CAADLO Cn1cc(CC(=O)N[C@@H]2COC3(C[NH+](CCO)C3)C2)cn1 ZINC001053752653 782578118 /nfs/dbraw/zinc/57/81/18/782578118.db2.gz CFHBHHVSYRQMPB-LBPRGKRZSA-N 1 2 294.355 -1.086 20 0 CAADLO O=C(N[C@@H]1COC2(C[NH+](CCO)C2)C1)[C@H]1CCNC(=O)C1 ZINC001053774802 782578246 /nfs/dbraw/zinc/57/82/46/782578246.db2.gz KDMQLGZKTDVJQZ-QWRGUYRKSA-N 1 2 297.355 -1.536 20 0 CAADLO COCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1CCC(=O)N1)CO2 ZINC001053757071 782578352 /nfs/dbraw/zinc/57/83/52/782578352.db2.gz MKRGZYZYBFARNQ-GHMZBOCLSA-N 1 2 297.355 -1.129 20 0 CAADLO O=C(N[C@H]1COC2(C[NH+](CCCO)C2)C1)[C@H]1CCC(=O)N1 ZINC001053757201 782578454 /nfs/dbraw/zinc/57/84/54/782578454.db2.gz PPMVVLWQBRYGDS-GHMZBOCLSA-N 1 2 297.355 -1.393 20 0 CAADLO O=C(N[C@@H]1COC2(C[NH+](CCO)C2)C1)[C@H]1CCC(=O)N1 ZINC001053757170 782578477 /nfs/dbraw/zinc/57/84/77/782578477.db2.gz OOFGOMISASWHCU-VHSXEESVSA-N 1 2 283.328 -1.783 20 0 CAADLO Cc1nn[nH]c1C(=O)N[C@@H]1COC2(C[NH+](CCO)C2)C1 ZINC001053889786 782583006 /nfs/dbraw/zinc/58/30/06/782583006.db2.gz RJKVXMANVOHARX-VIFPVBQESA-N 1 2 281.316 -1.321 20 0 CAADLO CC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1CN(C)C(=O)N1)CO2 ZINC001053890655 782583260 /nfs/dbraw/zinc/58/32/60/782583260.db2.gz DGKUKQLYVOUALS-VHSXEESVSA-N 1 2 282.344 -1.011 20 0 CAADLO CN1C[C@H](C(=O)N[C@@H]2COC3(C[NH+](CCO)C3)C2)NC1=O ZINC001053890515 782583518 /nfs/dbraw/zinc/58/35/18/782583518.db2.gz BZAWQSBTVITRRI-VHSXEESVSA-N 1 2 298.343 -2.038 20 0 CAADLO CN1C[C@@H](C(=O)N[C@@H]2COC3(C[NH+](CCO)C3)C2)NC1=O ZINC001053890514 782583860 /nfs/dbraw/zinc/58/38/60/782583860.db2.gz BZAWQSBTVITRRI-UWVGGRQHSA-N 1 2 298.343 -2.038 20 0 CAADLO CC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1CN(C)C(=O)N1)CO2 ZINC001053890656 782584001 /nfs/dbraw/zinc/58/40/01/782584001.db2.gz DGKUKQLYVOUALS-ZJUUUORDSA-N 1 2 282.344 -1.011 20 0 CAADLO CC[NH+]1CC2(C1)C[C@@H](NC(=O)Cn1ncn(C)c1=O)CO2 ZINC001053851779 782584290 /nfs/dbraw/zinc/58/42/90/782584290.db2.gz APQGWTVVTIVROR-SNVBAGLBSA-N 1 2 295.343 -1.439 20 0 CAADLO O=C(N[C@H]1COC2(C[NH+](CCCO)C2)C1)[C@@H]1CCNC1=O ZINC001053892081 782584371 /nfs/dbraw/zinc/58/43/71/782584371.db2.gz RCIRVLRNBQFSLR-GHMZBOCLSA-N 1 2 297.355 -1.536 20 0 CAADLO Cn1c(=O)[nH]cc1C(=O)N[C@@H]1COC2(C[NH+](CCO)C2)C1 ZINC001053892070 782584384 /nfs/dbraw/zinc/58/43/84/782584384.db2.gz QXGVAPFQBHCCGO-VIFPVBQESA-N 1 2 296.327 -1.309 20 0 CAADLO Cn1cncc1C(=O)N[C@@H]1COC2(C[NH+](CCO)C2)C1 ZINC001053863676 782584483 /nfs/dbraw/zinc/58/44/83/782584483.db2.gz PCSIAQNDAVODLQ-JTQLQIEISA-N 1 2 280.328 -1.015 20 0 CAADLO COCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1COC(=O)N1)CO2 ZINC001053789500 782579339 /nfs/dbraw/zinc/57/93/39/782579339.db2.gz FTTQZIRAYYJLCX-ZJUUUORDSA-N 1 2 299.327 -1.299 20 0 CAADLO C[C@H](O)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1cnnn1C)CO2 ZINC001053791784 782579497 /nfs/dbraw/zinc/57/94/97/782579497.db2.gz MYAJVLHASYLNFH-VHSXEESVSA-N 1 2 295.343 -1.231 20 0 CAADLO Cn1oc(C(=O)N[C@H]2COC3(C[NH+](CCO)C3)C2)cc1=O ZINC001053787281 782579572 /nfs/dbraw/zinc/57/95/72/782579572.db2.gz XUGGCUGHXZOVBN-SECBINFHSA-N 1 2 297.311 -1.456 20 0 CAADLO O=C(N[C@H]1COC2(C[NH+](CCCO)C2)C1)[C@@H]1COC(=O)N1 ZINC001053790356 782579621 /nfs/dbraw/zinc/57/96/21/782579621.db2.gz UDZNVPWSIVDLKE-ZJUUUORDSA-N 1 2 299.327 -1.563 20 0 CAADLO O=C(N[C@@H]1COC2(C[NH+](CCO)C2)C1)[C@H]1COC(=O)N1 ZINC001053792350 782579696 /nfs/dbraw/zinc/57/96/96/782579696.db2.gz RTSRUMUKEMQNHT-DTWKUNHWSA-N 1 2 285.300 -1.953 20 0 CAADLO Cn1nncc1C(=O)N[C@H]1COC2(C[NH+](CCCO)C2)C1 ZINC001053792660 782579786 /nfs/dbraw/zinc/57/97/86/782579786.db2.gz XKEJBCFITRIPMB-SNVBAGLBSA-N 1 2 295.343 -1.229 20 0 CAADLO CN1CCOC[C@@H]1C(=O)N[C@H]1COC2(C[NH+](CCO)C2)C1 ZINC001053782383 782579934 /nfs/dbraw/zinc/57/99/34/782579934.db2.gz OFUIUYZCNVKYBV-VXGBXAGGSA-N 1 2 299.371 -1.731 20 0 CAADLO O=C(N[C@H]1COC2(C[NH+](CCO)C2)C1)[C@@H]1COC(=O)N1 ZINC001053792349 782580010 /nfs/dbraw/zinc/58/00/10/782580010.db2.gz RTSRUMUKEMQNHT-BDAKNGLRSA-N 1 2 285.300 -1.953 20 0 CAADLO CN1CCOC[C@H]1C(=O)N[C@H]1COC2(C[NH+](CCO)C2)C1 ZINC001053782380 782580115 /nfs/dbraw/zinc/58/01/15/782580115.db2.gz OFUIUYZCNVKYBV-NEPJUHHUSA-N 1 2 299.371 -1.731 20 0 CAADLO COCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1COC(=O)N1)CO2 ZINC001053789499 782580228 /nfs/dbraw/zinc/58/02/28/782580228.db2.gz FTTQZIRAYYJLCX-VHSXEESVSA-N 1 2 299.327 -1.299 20 0 CAADLO Cc1[nH]c(=O)[nH]c1C(=O)N[C@@H]1COC2(C[NH+](CCO)C2)C1 ZINC001053835860 782581107 /nfs/dbraw/zinc/58/11/07/782581107.db2.gz RJJBWOWBJCXTMH-VIFPVBQESA-N 1 2 296.327 -1.011 20 0 CAADLO O=C(N[C@@H]1COC2(C[NH+](CCO)C2)C1)[C@H]1CCCNC1=O ZINC001053835407 782581340 /nfs/dbraw/zinc/58/13/40/782581340.db2.gz IVSKWSAQHPXDRU-QWRGUYRKSA-N 1 2 297.355 -1.536 20 0 CAADLO C[C@@H](O)C[NH+]1CC2(C1)C[C@@H](NC(=O)Cn1ncnn1)CO2 ZINC001053803364 782581519 /nfs/dbraw/zinc/58/15/19/782581519.db2.gz QPRPQODWVQCSLR-NXEZZACHSA-N 1 2 296.331 -1.987 20 0 CAADLO CN1C[C@H](C(=O)N[C@@H]2COC3(C[NH+](CCO)C3)C2)CC1=O ZINC001053822597 782581842 /nfs/dbraw/zinc/58/18/42/782581842.db2.gz QUVDLOUDINPOIE-MNOVXSKESA-N 1 2 297.355 -1.584 20 0 CAADLO O=C(N[C@H]1COC2(C[NH+](CCO)C2)C1)[C@]12C[C@H]1COC2 ZINC001053812454 782582154 /nfs/dbraw/zinc/58/21/54/782582154.db2.gz FHQYFDRSJODJQF-WDMOLILDSA-N 1 2 282.340 -1.025 20 0 CAADLO C[C@H](O)C[NH+]1CC2(C1)C[C@H](NC(=O)Cn1ncnn1)CO2 ZINC001053803365 782582173 /nfs/dbraw/zinc/58/21/73/782582173.db2.gz QPRPQODWVQCSLR-UWVGGRQHSA-N 1 2 296.331 -1.987 20 0 CAADLO CN1C[C@@H](C(=O)N[C@H]2COC3(C[NH+](CCO)C3)C2)CC1=O ZINC001053822599 782582202 /nfs/dbraw/zinc/58/22/02/782582202.db2.gz QUVDLOUDINPOIE-WDEREUQCSA-N 1 2 297.355 -1.584 20 0 CAADLO COCC[NH+]1CC2(C1)C[C@@H](NC(=O)Cn1nccn1)CO2 ZINC001053815165 782582238 /nfs/dbraw/zinc/58/22/38/782582238.db2.gz HCKKHOCDJSRNMC-LLVKDONJSA-N 1 2 295.343 -1.116 20 0 CAADLO O=C(C[C@@H]1CCNC1=O)N[C@@H]1COC2(C[NH+](CCO)C2)C1 ZINC001053828088 782582293 /nfs/dbraw/zinc/58/22/93/782582293.db2.gz MJMNLKANCMASGV-QWRGUYRKSA-N 1 2 297.355 -1.536 20 0 CAADLO Cn1cc(C(=O)N[C@@H]2COC3(C[NH+](CCO)C3)C2)nn1 ZINC001053794591 782582331 /nfs/dbraw/zinc/58/23/31/782582331.db2.gz SEVPZDXYCOCFOD-VIFPVBQESA-N 1 2 281.316 -1.620 20 0 CAADLO O=C(Cn1ncnn1)N[C@H]1COC2(C[NH+](CCO)C2)C1 ZINC001053803689 782582407 /nfs/dbraw/zinc/58/24/07/782582407.db2.gz YVIBKAHFTCAHEG-SECBINFHSA-N 1 2 282.304 -2.375 20 0 CAADLO C[C@@H](O)C[NH+]1CC2(C1)C[C@H](NC(=O)c1nnn(C)n1)CO2 ZINC001053897000 782585533 /nfs/dbraw/zinc/58/55/33/782585533.db2.gz IPMIOSLCXCDILV-BDAKNGLRSA-N 1 2 296.331 -1.836 20 0 CAADLO O=C(N[C@H]1COC2(C[NH+](CCCO)C2)C1)[C@H]1CNC(=O)N1 ZINC001053909398 782585645 /nfs/dbraw/zinc/58/56/45/782585645.db2.gz DZGAZHHQOKKULL-NXEZZACHSA-N 1 2 298.343 -1.990 20 0 CAADLO Cn1nnc(C(=O)N[C@@H]2COC3(C[NH+](CCO)C3)C2)n1 ZINC001053896705 782585761 /nfs/dbraw/zinc/58/57/61/782585761.db2.gz CRQFQMNVPIFKSY-QMMMGPOBSA-N 1 2 282.304 -2.225 20 0 CAADLO COCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1CNC(=O)N1)CO2 ZINC001053910967 782585880 /nfs/dbraw/zinc/58/58/80/782585880.db2.gz UCKZMGBLGLHYQQ-NXEZZACHSA-N 1 2 298.343 -1.726 20 0 CAADLO CN1CC[C@H](C(=O)N[C@@H]2COC3(C[NH+](CCO)C3)C2)C1=O ZINC001053893060 782585997 /nfs/dbraw/zinc/58/59/97/782585997.db2.gz JAFMNEAOOVCSFZ-WDEREUQCSA-N 1 2 297.355 -1.584 20 0 CAADLO CN1C(=O)CC[C@@H]1C(=O)N[C@@H]1COC2(C[NH+](CCO)C2)C1 ZINC001053905212 782586025 /nfs/dbraw/zinc/58/60/25/782586025.db2.gz YZCVAHLTZKRKGK-WDEREUQCSA-N 1 2 297.355 -1.441 20 0 CAADLO O=C(N[C@@H]1COC2(C[NH+](CCO)C2)C1)[C@H]1[C@@H]2COC[C@@H]21 ZINC001053899367 782586090 /nfs/dbraw/zinc/58/60/90/782586090.db2.gz JZRAPICHCXQKFC-NNYUYHANSA-N 1 2 282.340 -1.169 20 0 CAADLO CC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1CNC(=O)N1)CO2 ZINC001053909019 782586168 /nfs/dbraw/zinc/58/61/68/782586168.db2.gz AKAGJTRGPKQDDE-IUCAKERBSA-N 1 2 268.317 -1.353 20 0 CAADLO O=C(N[C@@H]1COC2(C[NH+](CCO)C2)C1)[C@@H]1CCNC1=O ZINC001053892351 782586235 /nfs/dbraw/zinc/58/62/35/782586235.db2.gz VQNSRDOYVNVGKT-VHSXEESVSA-N 1 2 283.328 -1.926 20 0 CAADLO O=C(N[C@@H]1COC2(C[NH+](CCO)C2)C1)[C@H]1CCNC1=O ZINC001053892350 782586251 /nfs/dbraw/zinc/58/62/51/782586251.db2.gz VQNSRDOYVNVGKT-UWVGGRQHSA-N 1 2 283.328 -1.926 20 0 CAADLO COCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1CNC(=O)N1)CO2 ZINC001053910970 782586307 /nfs/dbraw/zinc/58/63/07/782586307.db2.gz UCKZMGBLGLHYQQ-ZJUUUORDSA-N 1 2 298.343 -1.726 20 0 CAADLO COCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1nnn(C)n1)CO2 ZINC001053897501 782586329 /nfs/dbraw/zinc/58/63/29/782586329.db2.gz RCOYBKUASKZXPW-SECBINFHSA-N 1 2 296.331 -1.570 20 0 CAADLO NC(=O)C(=O)N[C@@H]1COC2(C[NH+](CCCF)C2)C1 ZINC001053911444 782586853 /nfs/dbraw/zinc/58/68/53/782586853.db2.gz CZPNDMBDVJCAPP-QMMMGPOBSA-N 1 2 259.281 -1.209 20 0 CAADLO COCC[NH+]1CC2(C1)C[C@@H](NC(=O)C(N)=O)CO2 ZINC001053912167 782587010 /nfs/dbraw/zinc/58/70/10/782587010.db2.gz VTHVOFCRXLUDSX-MRVPVSSYSA-N 1 2 257.290 -1.922 20 0 CAADLO C[C@@H](O)C[NH+]1CC2(C1)C[C@H](NC(=O)Cn1cncn1)CO2 ZINC001054000868 782591364 /nfs/dbraw/zinc/59/13/64/782591364.db2.gz LUHPIVBCJCFDPC-MNOVXSKESA-N 1 2 295.343 -1.382 20 0 CAADLO Cn1c[nH+]cc1CN1CC2(C1)C[C@@H](NC(=O)C(N)=O)CO2 ZINC001053911421 782587420 /nfs/dbraw/zinc/58/74/20/782587420.db2.gz CIQAFRYEBXITNB-SECBINFHSA-N 1 2 293.327 -1.635 20 0 CAADLO CO[C@@H](C)C[NH+]1CC2(C1)C[C@@H](NC(=O)C(N)=O)CO2 ZINC001053912086 782587650 /nfs/dbraw/zinc/58/76/50/782587650.db2.gz UMJCAATVCQSUEM-DTWKUNHWSA-N 1 2 271.317 -1.534 20 0 CAADLO C[C@@H](O)C[NH+]1CC2(C1)C[C@@H](NC(=O)C(N)=O)CO2 ZINC001053912179 782587740 /nfs/dbraw/zinc/58/77/40/782587740.db2.gz VYSHWSAYBITHBK-HTQZYQBOSA-N 1 2 257.290 -2.188 20 0 CAADLO O=C(C[C@H]1CCC(=O)N1)N[C@@H]1COC2(C[NH+](CCO)C2)C1 ZINC001053954192 782588481 /nfs/dbraw/zinc/58/84/81/782588481.db2.gz KLRVECKBGFSMCJ-MNOVXSKESA-N 1 2 297.355 -1.393 20 0 CAADLO Cn1ncc(C(=O)N[C@H]2COC3(C[NH+](CCCO)C3)C2)n1 ZINC001053955973 782588523 /nfs/dbraw/zinc/58/85/23/782588523.db2.gz WIPIEEJKQUFCEE-SNVBAGLBSA-N 1 2 295.343 -1.229 20 0 CAADLO C[C@H](O)C[NH+]1CC2(C1)C[C@H](NC(=O)Cn1cncn1)CO2 ZINC001054000869 782591306 /nfs/dbraw/zinc/59/13/06/782591306.db2.gz LUHPIVBCJCFDPC-QWRGUYRKSA-N 1 2 295.343 -1.382 20 0 CAADLO COC[C@@H](C)[NH+]1CC2(C1)C[C@@H](NC(=O)C(N)=O)CO2 ZINC001053913384 782588766 /nfs/dbraw/zinc/58/87/66/782588766.db2.gz OKKBZGQNXFDFHA-RKDXNWHRSA-N 1 2 271.317 -1.534 20 0 CAADLO COCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1C[C@H]1C(N)=O)CO2 ZINC001053927097 782588991 /nfs/dbraw/zinc/58/89/91/782588991.db2.gz RZWOWFNBVZCKPJ-MXWKQRLJSA-N 1 2 297.355 -1.286 20 0 CAADLO Cn1ncc(C(=O)N[C@H]2COC3(C[NH+](CCO)C3)C2)n1 ZINC001053956096 782589040 /nfs/dbraw/zinc/58/90/40/782589040.db2.gz ZIJOZUGDUKQRCK-SECBINFHSA-N 1 2 281.316 -1.620 20 0 CAADLO C[C@@]1(C(=O)N[C@H]2COC3(C[NH+](CCO)C3)C2)CCNC1=O ZINC001053925345 782589091 /nfs/dbraw/zinc/58/90/91/782589091.db2.gz JEJNIQAEMAIJCX-ZWNOBZJWSA-N 1 2 297.355 -1.536 20 0 CAADLO C[C@@]1(C(=O)N[C@H]2COC3(C[NH+](CCO)C3)C2)CCC(=O)N1 ZINC001053917231 782589334 /nfs/dbraw/zinc/58/93/34/782589334.db2.gz FSIVVBVEGNQRDD-MFKMUULPSA-N 1 2 297.355 -1.393 20 0 CAADLO O=C(C[C@H]1CCC(=O)N1)N[C@H]1COC2(C[NH+](CCO)C2)C1 ZINC001053954191 782589646 /nfs/dbraw/zinc/58/96/46/782589646.db2.gz KLRVECKBGFSMCJ-GHMZBOCLSA-N 1 2 297.355 -1.393 20 0 CAADLO C[C@H](O)C[NH+]1CC2(C1)C[C@@H](NC(=O)Cc1nc[nH]n1)CO2 ZINC001053977992 782590109 /nfs/dbraw/zinc/59/01/09/782590109.db2.gz HDULBZRTXJGEOA-VHSXEESVSA-N 1 2 295.343 -1.313 20 0 CAADLO CCn1cc(C(=O)N[C@H]2COC3(C[NH+](CCO)C3)C2)nn1 ZINC001053969351 782590500 /nfs/dbraw/zinc/59/05/00/782590500.db2.gz LVBOGUREWOBTGO-SNVBAGLBSA-N 1 2 295.343 -1.137 20 0 CAADLO C[C@@H](O)C[NH+]1CC2(C1)C[C@H](NC(=O)c1cnn(C)n1)CO2 ZINC001053956300 782590542 /nfs/dbraw/zinc/59/05/42/782590542.db2.gz COLIZXKKVUUZMI-ZJUUUORDSA-N 1 2 295.343 -1.231 20 0 CAADLO NC(=O)CN1CC2(C1)C[C@@H](NC(=O)Cc1[nH]cc[nH+]1)CO2 ZINC001053968163 782590912 /nfs/dbraw/zinc/59/09/12/782590912.db2.gz KSGLINRYHGBZPX-SECBINFHSA-N 1 2 293.327 -1.603 20 0 CAADLO O=C(N[C@H]1COC2(C[NH+](CCO)C2)C1)[C@@H]1CCC(=O)N1 ZINC001053986587 782590970 /nfs/dbraw/zinc/59/09/70/782590970.db2.gz OOFGOMISASWHCU-ZJUUUORDSA-N 1 2 283.328 -1.783 20 0 CAADLO COCC[NH+]1CC2(C1)C[C@H](NC(=O)Cn1cncn1)CO2 ZINC001054001393 782590995 /nfs/dbraw/zinc/59/09/95/782590995.db2.gz XSKRLFJGFCLDHG-NSHDSACASA-N 1 2 295.343 -1.116 20 0 CAADLO CC[NH+]1CC2(C1)C[C@H](NC(=O)CN1CC(=O)NC1=O)CO2 ZINC001053958852 782591082 /nfs/dbraw/zinc/59/10/82/782591082.db2.gz MSEAWSNAABMKPT-VIFPVBQESA-N 1 2 296.327 -1.482 20 0 CAADLO O=C(N[C@H]1COC2(C[NH+](CCO)C2)C1)[C@H]1CCNC1=O ZINC001053892352 782585359 /nfs/dbraw/zinc/58/53/59/782585359.db2.gz VQNSRDOYVNVGKT-ZJUUUORDSA-N 1 2 283.328 -1.926 20 0 CAADLO Cn1nnc(C(=O)N[C@@H]2COC3(C[NH+](CCCO)C3)C2)n1 ZINC001053896778 782585418 /nfs/dbraw/zinc/58/54/18/782585418.db2.gz DQTOACAEDPPTEF-VIFPVBQESA-N 1 2 296.331 -1.834 20 0 CAADLO O=C(N[C@@H]1COC2(C[NH+](CCO)C2)C1)[C@H]1CNC(=O)N1 ZINC001053910994 782585432 /nfs/dbraw/zinc/58/54/32/782585432.db2.gz UTQXVVSBFFRDHY-DTWKUNHWSA-N 1 2 284.316 -2.380 20 0 CAADLO Cc1nonc1CC(=O)N[C@H]1COC2(C[NH+](CCO)C2)C1 ZINC001053971163 782591590 /nfs/dbraw/zinc/59/15/90/782591590.db2.gz FZRNJIWTXXUVOC-SNVBAGLBSA-N 1 2 296.327 -1.128 20 0 CAADLO C[C@H](O)C[NH+]1CC2(C1)C[C@H](NC(=O)Cc1nc[nH]n1)CO2 ZINC001053977991 782591778 /nfs/dbraw/zinc/59/17/78/782591778.db2.gz HDULBZRTXJGEOA-UWVGGRQHSA-N 1 2 295.343 -1.313 20 0 CAADLO C[C@@H](O)C[NH+]1CC2(C1)C[C@@H](NC(=O)Cn1cncn1)CO2 ZINC001054000867 782591789 /nfs/dbraw/zinc/59/17/89/782591789.db2.gz LUHPIVBCJCFDPC-GHMZBOCLSA-N 1 2 295.343 -1.382 20 0 CAADLO COCC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nnn(C)n2)C1 ZINC001054302876 782592451 /nfs/dbraw/zinc/59/24/51/782592451.db2.gz GOKPGPMDCYSSJD-RKDXNWHRSA-N 1 2 268.321 -1.207 20 0 CAADLO O=C(Cn1cncn1)N[C@H]1COC2(C[NH+](CCO)C2)C1 ZINC001054002140 782593077 /nfs/dbraw/zinc/59/30/77/782593077.db2.gz RNLNYBWHGYLEDZ-SNVBAGLBSA-N 1 2 281.316 -1.770 20 0 CAADLO NC(=O)CN1CC2(C1)C[C@@H](NC(=O)Cn1cc[nH+]c1)CO2 ZINC001054022702 782593131 /nfs/dbraw/zinc/59/31/31/782593131.db2.gz NMCONPXXQNYOEX-SNVBAGLBSA-N 1 2 293.327 -1.672 20 0 CAADLO Cn1ccc(C(=O)N[C@@H]2COC3(C[NH+](CCO)C3)C2)n1 ZINC001054008485 782593208 /nfs/dbraw/zinc/59/32/08/782593208.db2.gz BNDAUNALPJGALR-JTQLQIEISA-N 1 2 280.328 -1.015 20 0 CAADLO O=C(Cn1cc[nH+]c1)N[C@@H]1COC2(CN(CCO)C2)C1 ZINC001054023922 782593675 /nfs/dbraw/zinc/59/36/75/782593675.db2.gz IXZRTKOCBHCGJI-NSHDSACASA-N 1 2 280.328 -1.165 20 0 CAADLO Cc1nonc1C(=O)N[C@H]1COC2(C[NH+](CCO)C2)C1 ZINC001054024166 782593805 /nfs/dbraw/zinc/59/38/05/782593805.db2.gz JFEKKKYVIXNVAJ-SECBINFHSA-N 1 2 282.300 -1.057 20 0 CAADLO CC[NH+]1CC2(C1)C[C@@H](NC(=O)CN1C(=O)CNC1=O)CO2 ZINC001054003740 782593915 /nfs/dbraw/zinc/59/39/15/782593915.db2.gz ZVKFWSOKGYSMHQ-SECBINFHSA-N 1 2 296.327 -1.482 20 0 CAADLO COCC(=O)N1C[C@H]([NH2+]Cc2nnn(C)n2)[C@@H](C)C1 ZINC001054302875 782594003 /nfs/dbraw/zinc/59/40/03/782594003.db2.gz GOKPGPMDCYSSJD-IUCAKERBSA-N 1 2 268.321 -1.207 20 0 CAADLO Cc1nonc1C(=O)N[C@@H]1COC2(C[NH+](CCO)C2)C1 ZINC001054024168 782594194 /nfs/dbraw/zinc/59/41/94/782594194.db2.gz JFEKKKYVIXNVAJ-VIFPVBQESA-N 1 2 282.300 -1.057 20 0 CAADLO C[C@@H]1CN(C(=O)c2cn[nH]n2)C[C@H]1[NH2+]Cc1nnn(C)n1 ZINC001054845205 782603674 /nfs/dbraw/zinc/60/36/74/782603674.db2.gz PVSLHXPSLJCICD-VXNVDRBHSA-N 1 2 291.319 -1.422 20 0 CAADLO Cc1nnc(C[NH2+][C@@H]2CN(C(=O)C(N)=O)C[C@@H]2C)o1 ZINC001055024360 782607976 /nfs/dbraw/zinc/60/79/76/782607976.db2.gz YABHGTBYIIIABI-POYBYMJQSA-N 1 2 267.289 -1.200 20 0 CAADLO C[C@@H]1CN(C(=O)C(N)=O)C[C@@H]1[NH2+]Cc1nncs1 ZINC001055027712 782608476 /nfs/dbraw/zinc/60/84/76/782608476.db2.gz ZFSKILPEFCASCT-RQJHMYQMSA-N 1 2 269.330 -1.040 20 0 CAADLO C[C@H]1CN(C(=O)C(N)=O)C[C@@H]1[NH2+]Cc1nncs1 ZINC001055027707 782608528 /nfs/dbraw/zinc/60/85/28/782608528.db2.gz ZFSKILPEFCASCT-BQBZGAKWSA-N 1 2 269.330 -1.040 20 0 CAADLO COCc1noc(C[NH2+][C@H]2CN(C(=O)C(N)=O)C[C@@H]2C)n1 ZINC001055019605 782605240 /nfs/dbraw/zinc/60/52/40/782605240.db2.gz BMGSMWNVFXOAMD-YUMQZZPRSA-N 1 2 297.315 -1.362 20 0 CAADLO C[C@@H]1CN(C(=O)C(N)=O)C[C@H]1[NH2+]Cc1nc(N(C)C)no1 ZINC001055021442 782606008 /nfs/dbraw/zinc/60/60/08/782606008.db2.gz ZZMREZPMAOQXJT-HTQZYQBOSA-N 1 2 296.331 -1.443 20 0 CAADLO C[C@H]1CN(C(=O)C(N)=O)C[C@H]1[NH2+]Cc1cnon1 ZINC001055022627 782606425 /nfs/dbraw/zinc/60/64/25/782606425.db2.gz DWBXPTPGGBXLHO-POYBYMJQSA-N 1 2 253.262 -1.509 20 0 CAADLO C[C@H]1CN(C(=O)C(N)=O)C[C@@H]1[NH2+]Cc1cnon1 ZINC001055022629 782606513 /nfs/dbraw/zinc/60/65/13/782606513.db2.gz DWBXPTPGGBXLHO-XPUUQOCRSA-N 1 2 253.262 -1.509 20 0 CAADLO Cc1noc(C[NH2+][C@H]2CN(C(=O)C(N)=O)C[C@H]2C)n1 ZINC001055020152 782606977 /nfs/dbraw/zinc/60/69/77/782606977.db2.gz KQJNIXNFXFLWEH-SVRRBLITSA-N 1 2 267.289 -1.200 20 0 CAADLO C[C@@H]1CN(C(=O)C(N)=O)C[C@H]1[NH2+]Cc1ncccn1 ZINC001055023674 782607014 /nfs/dbraw/zinc/60/70/14/782607014.db2.gz SARJNSVLFYIFCX-RKDXNWHRSA-N 1 2 263.301 -1.102 20 0 CAADLO C[C@H]1CN(C(=O)C(N)=O)C[C@H]1[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001055020499 782607317 /nfs/dbraw/zinc/60/73/17/782607317.db2.gz PLNLSMMSFRGCOY-NKWVEPMBSA-N 1 2 282.304 -2.470 20 0 CAADLO C[C@H]1CN(C(=O)C(N)=O)C[C@H]1[NH2+]Cc1csnn1 ZINC001055024018 782608897 /nfs/dbraw/zinc/60/88/97/782608897.db2.gz VWKNBEFANAUUNO-POYBYMJQSA-N 1 2 269.330 -1.040 20 0 CAADLO CC(=O)N1CCC[C@](CO)(NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001055853276 782618658 /nfs/dbraw/zinc/61/86/58/782618658.db2.gz GAXCTQCXJTXXTN-OCCSQVGLSA-N 1 2 299.371 -1.193 20 0 CAADLO CC(=O)N1CCC[C@](CO)(NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001055853276 782618669 /nfs/dbraw/zinc/61/86/69/782618669.db2.gz GAXCTQCXJTXXTN-OCCSQVGLSA-N 1 2 299.371 -1.193 20 0 CAADLO CC(=O)N1CCC[C@@](CO)(NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001055853277 782619427 /nfs/dbraw/zinc/61/94/27/782619427.db2.gz GAXCTQCXJTXXTN-TZMCWYRMSA-N 1 2 299.371 -1.193 20 0 CAADLO CC(=O)N1CCC[C@@](CO)(NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001055853277 782619434 /nfs/dbraw/zinc/61/94/34/782619434.db2.gz GAXCTQCXJTXXTN-TZMCWYRMSA-N 1 2 299.371 -1.193 20 0 CAADLO COCCC(=O)N(CCO)CCNC(=O)Cn1cc[nH+]c1 ZINC001056732957 782629160 /nfs/dbraw/zinc/62/91/60/782629160.db2.gz FTMOJSAJIBCTNN-UHFFFAOYSA-N 1 2 298.343 -1.143 20 0 CAADLO COCCC(=O)N(CCO)CCNC(=O)Cc1c[nH]c[nH+]1 ZINC001056737600 782630500 /nfs/dbraw/zinc/63/05/00/782630500.db2.gz CIAJRFFTYTVXMC-UHFFFAOYSA-N 1 2 298.343 -1.074 20 0 CAADLO CCOCC(=O)N(CCO)CCNC(=O)Cc1[nH]cc[nH+]1 ZINC001056866536 782640977 /nfs/dbraw/zinc/64/09/77/782640977.db2.gz KYXUYIPPPGCFGL-UHFFFAOYSA-N 1 2 298.343 -1.074 20 0 CAADLO COCC(=O)N(CCO)CCNC(=O)Cc1[nH]cc[nH+]1 ZINC001056788044 782638108 /nfs/dbraw/zinc/63/81/08/782638108.db2.gz YLRANVTVCCVXMN-UHFFFAOYSA-N 1 2 284.316 -1.464 20 0 CAADLO COCC(=O)N(CCO)CCNC(=O)Cn1cc[nH+]c1 ZINC001056792612 782638628 /nfs/dbraw/zinc/63/86/28/782638628.db2.gz WYLGAFXHJUJKOE-UHFFFAOYSA-N 1 2 284.316 -1.533 20 0 CAADLO NC(=O)CC(=O)N(CCO)CCNC(=O)Cc1c[nH]c[nH+]1 ZINC001057246604 782655602 /nfs/dbraw/zinc/65/56/02/782655602.db2.gz LVXFIYDEUVFFJM-UHFFFAOYSA-N 1 2 297.315 -2.235 20 0 CAADLO NC(=O)CC(=O)N(CCO)CCNC(=O)Cn1cc[nH+]c1 ZINC001057247921 782656497 /nfs/dbraw/zinc/65/64/97/782656497.db2.gz PODREZKPIZPYDC-UHFFFAOYSA-N 1 2 297.315 -2.304 20 0 CAADLO NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H]1CCC(=O)N1)C2 ZINC001098024249 782662794 /nfs/dbraw/zinc/66/27/94/782662794.db2.gz GIOLAQHXVJHBQH-DBIOUOCHSA-N 1 2 294.355 -1.138 20 0 CAADLO NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H]1CCC(=O)N1)C2 ZINC001098024249 782662799 /nfs/dbraw/zinc/66/27/99/782662799.db2.gz GIOLAQHXVJHBQH-DBIOUOCHSA-N 1 2 294.355 -1.138 20 0 CAADLO NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1CCC(=O)N1)C2 ZINC001098024250 782663757 /nfs/dbraw/zinc/66/37/57/782663757.db2.gz GIOLAQHXVJHBQH-ZDCRXTMVSA-N 1 2 294.355 -1.138 20 0 CAADLO NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1CCC(=O)N1)C2 ZINC001098024250 782663762 /nfs/dbraw/zinc/66/37/62/782663762.db2.gz GIOLAQHXVJHBQH-ZDCRXTMVSA-N 1 2 294.355 -1.138 20 0 CAADLO NC(=O)C(=O)NCCN(CCO)C(=O)CCc1[nH]cc[nH+]1 ZINC001057460261 782665170 /nfs/dbraw/zinc/66/51/70/782665170.db2.gz WPAIQIGPCPOBNG-UHFFFAOYSA-N 1 2 297.315 -2.235 20 0 CAADLO Cn1ncnc1C[NH+]1CCC2(CN(C(=O)C(N)=O)C2)CC1 ZINC001050643357 782669381 /nfs/dbraw/zinc/66/93/81/782669381.db2.gz WYRQVTLONDUNKM-UHFFFAOYSA-N 1 2 292.343 -1.275 20 0 CAADLO O=C(NC[C@@H]1COCC[N@H+]1CCCO)[C@@H]1CCCNC1=O ZINC001050967047 782681273 /nfs/dbraw/zinc/68/12/73/782681273.db2.gz TUDKPYMJWUQDBH-VXGBXAGGSA-N 1 2 299.371 -1.288 20 0 CAADLO O=C(NC[C@@H]1COCC[N@@H+]1CCCO)[C@@H]1CCCNC1=O ZINC001050967047 782681277 /nfs/dbraw/zinc/68/12/77/782681277.db2.gz TUDKPYMJWUQDBH-VXGBXAGGSA-N 1 2 299.371 -1.288 20 0 CAADLO O=C(NC[C@H]1COCC[N@H+]1CCCO)[C@@H]1CCCNC1=O ZINC001050967044 782681827 /nfs/dbraw/zinc/68/18/27/782681827.db2.gz TUDKPYMJWUQDBH-NWDGAFQWSA-N 1 2 299.371 -1.288 20 0 CAADLO O=C(NC[C@H]1COCC[N@@H+]1CCCO)[C@@H]1CCCNC1=O ZINC001050967044 782681830 /nfs/dbraw/zinc/68/18/30/782681830.db2.gz TUDKPYMJWUQDBH-NWDGAFQWSA-N 1 2 299.371 -1.288 20 0 CAADLO C[C@@H](O)C[N@@H+]1CCOC[C@H]1CNC(=O)c1cn[nH]c(=O)c1 ZINC001050968767 782683167 /nfs/dbraw/zinc/68/31/67/782683167.db2.gz HSVBLQZOUZJFRL-MWLCHTKSSA-N 1 2 296.327 -1.006 20 0 CAADLO C[C@@H](O)C[N@H+]1CCOC[C@H]1CNC(=O)c1cn[nH]c(=O)c1 ZINC001050968767 782683171 /nfs/dbraw/zinc/68/31/71/782683171.db2.gz HSVBLQZOUZJFRL-MWLCHTKSSA-N 1 2 296.327 -1.006 20 0 CAADLO C[C@@H](O)C[N@@H+]1CCOC[C@@H]1CNC(=O)c1cn[nH]c(=O)c1 ZINC001050968766 782683503 /nfs/dbraw/zinc/68/35/03/782683503.db2.gz HSVBLQZOUZJFRL-KOLCDFICSA-N 1 2 296.327 -1.006 20 0 CAADLO C[C@@H](O)C[N@H+]1CCOC[C@@H]1CNC(=O)c1cn[nH]c(=O)c1 ZINC001050968766 782683506 /nfs/dbraw/zinc/68/35/06/782683506.db2.gz HSVBLQZOUZJFRL-KOLCDFICSA-N 1 2 296.327 -1.006 20 0 CAADLO C[C@H](O)C[N@@H+]1CCOC[C@H]1CNC(=O)c1cnc[nH]c1=O ZINC001050971058 782683603 /nfs/dbraw/zinc/68/36/03/782683603.db2.gz ACMIJWAJZFNVOE-VHSXEESVSA-N 1 2 296.327 -1.006 20 0 CAADLO C[C@H](O)C[N@H+]1CCOC[C@H]1CNC(=O)c1cnc[nH]c1=O ZINC001050971058 782683608 /nfs/dbraw/zinc/68/36/08/782683608.db2.gz ACMIJWAJZFNVOE-VHSXEESVSA-N 1 2 296.327 -1.006 20 0 CAADLO O=C(NC[C@H]1COCC[N@H+]1CCCO)c1cnc[nH]c1=O ZINC001050971804 782683809 /nfs/dbraw/zinc/68/38/09/782683809.db2.gz KWOWWFLSWYKIRP-JTQLQIEISA-N 1 2 296.327 -1.005 20 0 CAADLO O=C(NC[C@H]1COCC[N@@H+]1CCCO)c1cnc[nH]c1=O ZINC001050971804 782683817 /nfs/dbraw/zinc/68/38/17/782683817.db2.gz KWOWWFLSWYKIRP-JTQLQIEISA-N 1 2 296.327 -1.005 20 0 CAADLO O=C(NC[C@@H]1COCC[N@H+]1CCCO)c1cn[nH]c(=O)c1 ZINC001050968219 782683841 /nfs/dbraw/zinc/68/38/41/782683841.db2.gz CIALQYULOHGQDZ-LLVKDONJSA-N 1 2 296.327 -1.005 20 0 CAADLO O=C(NC[C@@H]1COCC[N@@H+]1CCCO)c1cn[nH]c(=O)c1 ZINC001050968219 782683848 /nfs/dbraw/zinc/68/38/48/782683848.db2.gz CIALQYULOHGQDZ-LLVKDONJSA-N 1 2 296.327 -1.005 20 0 CAADLO C[C@H](NC(=O)C(N)=O)[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001051059073 782684578 /nfs/dbraw/zinc/68/45/78/782684578.db2.gz IBXBANSNUOTKOA-UWVGGRQHSA-N 1 2 293.327 -1.278 20 0 CAADLO O=C(NC[C@H]1COCC[N@H+]1CCCO)[C@@H]1CCNC1=O ZINC001051067234 782686237 /nfs/dbraw/zinc/68/62/37/782686237.db2.gz RKIFALRWNBAAHK-WDEREUQCSA-N 1 2 285.344 -1.678 20 0 CAADLO O=C(NC[C@H]1COCC[N@@H+]1CCCO)[C@@H]1CCNC1=O ZINC001051067234 782686243 /nfs/dbraw/zinc/68/62/43/782686243.db2.gz RKIFALRWNBAAHK-WDEREUQCSA-N 1 2 285.344 -1.678 20 0 CAADLO CC[N@@H+]1CCOC[C@H]1CNC(=O)[C@@H]1CCNC1=O ZINC001051065751 782686302 /nfs/dbraw/zinc/68/63/02/782686302.db2.gz JIMKCBZCRHJUSR-NXEZZACHSA-N 1 2 255.318 -1.041 20 0 CAADLO CC[N@H+]1CCOC[C@H]1CNC(=O)[C@@H]1CCNC1=O ZINC001051065751 782686308 /nfs/dbraw/zinc/68/63/08/782686308.db2.gz JIMKCBZCRHJUSR-NXEZZACHSA-N 1 2 255.318 -1.041 20 0 CAADLO C[C@@H](O)C[N@@H+]1CCOC[C@@H]1CNC(=O)c1c[nH]c(=O)n1C ZINC001051064174 782686464 /nfs/dbraw/zinc/68/64/64/782686464.db2.gz MDMGPHPKFPPGSF-ZJUUUORDSA-N 1 2 298.343 -1.063 20 0 CAADLO C[C@@H](O)C[N@H+]1CCOC[C@@H]1CNC(=O)c1c[nH]c(=O)n1C ZINC001051064174 782686470 /nfs/dbraw/zinc/68/64/70/782686470.db2.gz MDMGPHPKFPPGSF-ZJUUUORDSA-N 1 2 298.343 -1.063 20 0 CAADLO O=C(NC[C@@H]1COCC[N@H+]1CCCO)[C@H]1CCNC1=O ZINC001051067230 782686733 /nfs/dbraw/zinc/68/67/33/782686733.db2.gz RKIFALRWNBAAHK-MNOVXSKESA-N 1 2 285.344 -1.678 20 0 CAADLO O=C(NC[C@@H]1COCC[N@@H+]1CCCO)[C@H]1CCNC1=O ZINC001051067230 782686736 /nfs/dbraw/zinc/68/67/36/782686736.db2.gz RKIFALRWNBAAHK-MNOVXSKESA-N 1 2 285.344 -1.678 20 0 CAADLO Cn1c(=O)[nH]cc1C(=O)NC[C@H]1COCC[N@@H+]1CCCO ZINC001051064127 782687018 /nfs/dbraw/zinc/68/70/18/782687018.db2.gz LGFSIOMCESFMFL-JTQLQIEISA-N 1 2 298.343 -1.061 20 0 CAADLO Cn1c(=O)[nH]cc1C(=O)NC[C@H]1COCC[N@H+]1CCCO ZINC001051064127 782687022 /nfs/dbraw/zinc/68/70/22/782687022.db2.gz LGFSIOMCESFMFL-JTQLQIEISA-N 1 2 298.343 -1.061 20 0 CAADLO CCC[N@@H+]1CCOC[C@H]1CNC(=O)[C@@H]1CNC(=O)N1 ZINC001051090950 782687496 /nfs/dbraw/zinc/68/74/96/782687496.db2.gz JJBROUUHGYDRFP-ZJUUUORDSA-N 1 2 270.333 -1.105 20 0 CAADLO CCC[N@H+]1CCOC[C@H]1CNC(=O)[C@@H]1CNC(=O)N1 ZINC001051090950 782687499 /nfs/dbraw/zinc/68/74/99/782687499.db2.gz JJBROUUHGYDRFP-ZJUUUORDSA-N 1 2 270.333 -1.105 20 0 CAADLO CC[N@@H+]1CCOC[C@H]1CNC(=O)[C@H]1CNC(=O)N1 ZINC001051094316 782688151 /nfs/dbraw/zinc/68/81/51/782688151.db2.gz KZVZGHCYEFSXAH-RKDXNWHRSA-N 1 2 256.306 -1.495 20 0 CAADLO CC[N@H+]1CCOC[C@H]1CNC(=O)[C@H]1CNC(=O)N1 ZINC001051094316 782688155 /nfs/dbraw/zinc/68/81/55/782688155.db2.gz KZVZGHCYEFSXAH-RKDXNWHRSA-N 1 2 256.306 -1.495 20 0 CAADLO CN1CC[C@H](C(=O)NC[C@@H]2COCC[N@@H+]2CCCO)C1=O ZINC001051077113 782688554 /nfs/dbraw/zinc/68/85/54/782688554.db2.gz KVWWTYKNUYGVJX-VXGBXAGGSA-N 1 2 299.371 -1.336 20 0 CAADLO CN1CC[C@H](C(=O)NC[C@@H]2COCC[N@H+]2CCCO)C1=O ZINC001051077113 782688556 /nfs/dbraw/zinc/68/85/56/782688556.db2.gz KVWWTYKNUYGVJX-VXGBXAGGSA-N 1 2 299.371 -1.336 20 0 CAADLO C[C@H](O)C[N@@H+]1CCOC[C@@H]1CNC(=O)c1cn(C)c(=O)[nH]1 ZINC001051092462 782688769 /nfs/dbraw/zinc/68/87/69/782688769.db2.gz UDXQIDVGFXOEKP-UWVGGRQHSA-N 1 2 298.343 -1.063 20 0 CAADLO C[C@H](O)C[N@H+]1CCOC[C@@H]1CNC(=O)c1cn(C)c(=O)[nH]1 ZINC001051092462 782688777 /nfs/dbraw/zinc/68/87/77/782688777.db2.gz UDXQIDVGFXOEKP-UWVGGRQHSA-N 1 2 298.343 -1.063 20 0 CAADLO CC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001051139501 782691299 /nfs/dbraw/zinc/69/12/99/782691299.db2.gz GAFCSJDZQQHHLF-IUCAKERBSA-N 1 2 284.316 -1.579 20 0 CAADLO CC[N@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001051139501 782691303 /nfs/dbraw/zinc/69/13/03/782691303.db2.gz GAFCSJDZQQHHLF-IUCAKERBSA-N 1 2 284.316 -1.579 20 0 CAADLO CC[N@@H+]1CCOC[C@H]1CNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001051248238 782694217 /nfs/dbraw/zinc/69/42/17/782694217.db2.gz XHENARWLKZQONB-ZJUUUORDSA-N 1 2 291.373 -1.485 20 0 CAADLO CC[N@H+]1CCOC[C@H]1CNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001051248238 782694218 /nfs/dbraw/zinc/69/42/18/782694218.db2.gz XHENARWLKZQONB-ZJUUUORDSA-N 1 2 291.373 -1.485 20 0 CAADLO CC[N@@H+]1CCOC[C@H]1CNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001051248235 782694291 /nfs/dbraw/zinc/69/42/91/782694291.db2.gz XHENARWLKZQONB-NXEZZACHSA-N 1 2 291.373 -1.485 20 0 CAADLO CC[N@H+]1CCOC[C@H]1CNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001051248235 782694294 /nfs/dbraw/zinc/69/42/94/782694294.db2.gz XHENARWLKZQONB-NXEZZACHSA-N 1 2 291.373 -1.485 20 0 CAADLO C[C@H](NC(=O)Cc1[nH]cc[nH+]1)[C@@H]1CCN(C(=O)C(N)=O)C1 ZINC001051458829 782695343 /nfs/dbraw/zinc/69/53/43/782695343.db2.gz BRMHKGAAVJAGHB-DTWKUNHWSA-N 1 2 293.327 -1.209 20 0 CAADLO C[C@@H](NC(=O)C(N)=O)[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001051420050 782695831 /nfs/dbraw/zinc/69/58/31/782695831.db2.gz ZLGNIDIXDXTPCB-BDAKNGLRSA-N 1 2 293.327 -1.209 20 0 CAADLO C[C@H](NC(=O)C(N)=O)[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001051420052 782696275 /nfs/dbraw/zinc/69/62/75/782696275.db2.gz ZLGNIDIXDXTPCB-IUCAKERBSA-N 1 2 293.327 -1.209 20 0 CAADLO C[C@@H](NC(=O)Cn1cc[nH+]c1)[C@@H]1CCN(C(=O)C(N)=O)C1 ZINC001051468719 782697050 /nfs/dbraw/zinc/69/70/50/782697050.db2.gz IMQDJDYYQHHTOW-NXEZZACHSA-N 1 2 293.327 -1.278 20 0 CAADLO C[C@@H](NC(=O)Cn1cc[nH+]c1)[C@H]1CCN(C(=O)C(N)=O)C1 ZINC001051468727 782697272 /nfs/dbraw/zinc/69/72/72/782697272.db2.gz IMQDJDYYQHHTOW-ZJUUUORDSA-N 1 2 293.327 -1.278 20 0 CAADLO C[C@H](NC(=O)Cc1c[nH]c[nH+]1)[C@H]1CCN(C(=O)C(N)=O)C1 ZINC001051471155 782697499 /nfs/dbraw/zinc/69/74/99/782697499.db2.gz VJLMUAYHWFKSJC-IUCAKERBSA-N 1 2 293.327 -1.209 20 0 CAADLO C[C@H](NC(=O)Cn1cc[nH+]c1)[C@@H]1CCN(C(=O)C(N)=O)C1 ZINC001051468724 782697680 /nfs/dbraw/zinc/69/76/80/782697680.db2.gz IMQDJDYYQHHTOW-VHSXEESVSA-N 1 2 293.327 -1.278 20 0 CAADLO CC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cn(C)c(=O)[nH]c1=O ZINC001051243385 782692982 /nfs/dbraw/zinc/69/29/82/782692982.db2.gz IREPBKVGKCXDCH-VIFPVBQESA-N 1 2 296.327 -1.064 20 0 CAADLO CC[N@H+]1CCOC[C@@H]1CNC(=O)c1cn(C)c(=O)[nH]c1=O ZINC001051243385 782692986 /nfs/dbraw/zinc/69/29/86/782692986.db2.gz IREPBKVGKCXDCH-VIFPVBQESA-N 1 2 296.327 -1.064 20 0 CAADLO Cc1nnc(C[NH2+]C[C@@H]2CN(C(=O)CC(N)=O)CCO2)o1 ZINC001051503882 782699171 /nfs/dbraw/zinc/69/91/71/782699171.db2.gz CVKONVUIGBLDQF-SECBINFHSA-N 1 2 297.315 -1.430 20 0 CAADLO Cc1noc(C[NH2+]C[C@@H]2CN(C(=O)CC(N)=O)CCO2)n1 ZINC001051501889 782699187 /nfs/dbraw/zinc/69/91/87/782699187.db2.gz LEPKBNAAGDKMQT-SECBINFHSA-N 1 2 297.315 -1.430 20 0 CAADLO NC(=O)CC(=O)N1CCO[C@@H](C[NH2+]Cc2csnn2)C1 ZINC001051505584 782699212 /nfs/dbraw/zinc/69/92/12/782699212.db2.gz QJHNRLCZBMWLBL-VIFPVBQESA-N 1 2 299.356 -1.270 20 0 CAADLO Cc1nnc(C[NH2+]C[C@H]2CN(C(=O)CC(N)=O)CCO2)o1 ZINC001051503883 782699257 /nfs/dbraw/zinc/69/92/57/782699257.db2.gz CVKONVUIGBLDQF-VIFPVBQESA-N 1 2 297.315 -1.430 20 0 CAADLO C[C@@H](NC(=O)C(N)=O)[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001051673232 782700921 /nfs/dbraw/zinc/70/09/21/782700921.db2.gz YPGBLCVYAXPZGE-RKDXNWHRSA-N 1 2 293.327 -1.209 20 0 CAADLO Cc1nc(N2CC[C@H](NC(=O)C(N)=O)[C@@H](O)C2)cc[nH+]1 ZINC001051766333 782702272 /nfs/dbraw/zinc/70/22/72/782702272.db2.gz IDRXZVIHMBUBLQ-IUCAKERBSA-N 1 2 279.300 -1.674 20 0 CAADLO Cc1nnc(C[NH2+]C[C@H]2CN(C(=O)C(N)=O)CCO2)o1 ZINC001051794214 782704779 /nfs/dbraw/zinc/70/47/79/782704779.db2.gz IFQOZQFEOHRZLC-QMMMGPOBSA-N 1 2 283.288 -1.820 20 0 CAADLO C[C@H]([NH2+]C[C@@H]1CN(C(=O)C(N)=O)CCO1)c1csnn1 ZINC001051794458 782705776 /nfs/dbraw/zinc/70/57/76/782705776.db2.gz NPZAYFQQBKXJFK-JGVFFNPUSA-N 1 2 299.356 -1.099 20 0 CAADLO NC(=O)C(=O)N1CCO[C@@H](C[NH2+]Cc2cnsn2)C1 ZINC001051794844 782705838 /nfs/dbraw/zinc/70/58/38/782705838.db2.gz ULUHTYDOHRYGTK-QMMMGPOBSA-N 1 2 285.329 -1.660 20 0 CAADLO Cc1noc([C@@H](C)[NH2+]C[C@H]2CN(C(=O)C(N)=O)CCO2)n1 ZINC001051799011 782705850 /nfs/dbraw/zinc/70/58/50/782705850.db2.gz PLPSHWYDQXDWQZ-APPZFPTMSA-N 1 2 297.315 -1.259 20 0 CAADLO Cc1noc([C@@H](C)[NH2+]C[C@@H]2CN(C(=O)C(N)=O)CCO2)n1 ZINC001051799016 782706351 /nfs/dbraw/zinc/70/63/51/782706351.db2.gz PLPSHWYDQXDWQZ-VXNVDRBHSA-N 1 2 297.315 -1.259 20 0 CAADLO Cc1noc([C@H](C)[NH2+]C[C@H]2CN(C(=O)C(N)=O)CCO2)n1 ZINC001051799012 782706421 /nfs/dbraw/zinc/70/64/21/782706421.db2.gz PLPSHWYDQXDWQZ-CBAPKCEASA-N 1 2 297.315 -1.259 20 0 CAADLO Cc1noc([C@H](C)[NH2+]C[C@@H]2CN(C(=O)C(N)=O)CCO2)n1 ZINC001051799014 782706775 /nfs/dbraw/zinc/70/67/75/782706775.db2.gz PLPSHWYDQXDWQZ-IONNQARKSA-N 1 2 297.315 -1.259 20 0 CAADLO C[C@H]([NH2+]C[C@H]1CN(C(=O)C(N)=O)CCO1)c1csnn1 ZINC001051794460 782707138 /nfs/dbraw/zinc/70/71/38/782707138.db2.gz NPZAYFQQBKXJFK-YUMQZZPRSA-N 1 2 299.356 -1.099 20 0 CAADLO CO[C@@H](C)C(=O)N1CC[C@@H]([NH+]2CCN(CC(N)=O)CC2)C1 ZINC001051992000 782709284 /nfs/dbraw/zinc/70/92/84/782709284.db2.gz PZDLCXCRHMPKFG-NWDGAFQWSA-N 1 2 298.387 -1.275 20 0 CAADLO COCC(=O)N1CC[C@@H]([NH+]2CCN(CCO)CC2)C1 ZINC001051958470 782709389 /nfs/dbraw/zinc/70/93/89/782709389.db2.gz WJNYRRRMEWNQRF-GFCCVEGCSA-N 1 2 271.361 -1.156 20 0 CAADLO CNC(=O)CN1CC[NH+]([C@H]2CCN(C(C)=O)C2)CC1 ZINC001051954883 782709653 /nfs/dbraw/zinc/70/96/53/782709653.db2.gz AHCBBKSUQJUFNJ-LBPRGKRZSA-N 1 2 268.361 -1.029 20 0 CAADLO COCC(=O)N1CC[C@H]([NH+]2CCN(CC(N)=O)CC2)C1 ZINC001051956576 782709729 /nfs/dbraw/zinc/70/97/29/782709729.db2.gz QTQGUMGJVGVGCJ-NSHDSACASA-N 1 2 284.360 -1.663 20 0 CAADLO COCCN1CC[NH+]([C@H]2CCN(C(=O)CC(N)=O)C2)CC1 ZINC001052001642 782710651 /nfs/dbraw/zinc/71/06/51/782710651.db2.gz XSXVQHFUISZNSJ-LBPRGKRZSA-N 1 2 298.387 -1.273 20 0 CAADLO NC(=O)C(=O)N1CC[C@H]([NH+]2CCN(CCF)CC2)C1 ZINC001052074711 782711582 /nfs/dbraw/zinc/71/15/82/782711582.db2.gz JLHCNLUDURSGMM-JTQLQIEISA-N 1 2 272.324 -1.340 20 0 CAADLO NC(=O)C(=O)NCCN(CCO)C(=O)CCc1c[nH]c[nH+]1 ZINC001057901338 782720071 /nfs/dbraw/zinc/72/00/71/782720071.db2.gz PYSSPXLSMSAIPI-UHFFFAOYSA-N 1 2 297.315 -2.235 20 0 CAADLO NC(=O)C(=O)NCCN(CCO)C(=O)CCc1c[nH+]c[nH]1 ZINC001057901338 782720077 /nfs/dbraw/zinc/72/00/77/782720077.db2.gz PYSSPXLSMSAIPI-UHFFFAOYSA-N 1 2 297.315 -2.235 20 0 CAADLO CO[C@@H](C)C(=O)NCCN(CCO)C(=O)Cn1cc[nH+]c1 ZINC001057994097 782721294 /nfs/dbraw/zinc/72/12/94/782721294.db2.gz IYSUWHLYFVOJNF-NSHDSACASA-N 1 2 298.343 -1.145 20 0 CAADLO Cn1c[nH+]cc1CC(=O)N(CCO)CCNC(=O)C(N)=O ZINC001058158054 782724145 /nfs/dbraw/zinc/72/41/45/782724145.db2.gz OLYWNPDPUCQPQA-UHFFFAOYSA-N 1 2 297.315 -2.615 20 0 CAADLO CN(CCCN(C)C(=O)C(N)=O)C(=O)Cc1c[nH+]cn1C ZINC001067831804 782730471 /nfs/dbraw/zinc/73/04/71/782730471.db2.gz RUDFMFPVTUUUQJ-UHFFFAOYSA-N 1 2 295.343 -1.245 20 0 CAADLO CC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCN(C)C2=O)C[C@@H]1n1ccnn1 ZINC001069885946 782741112 /nfs/dbraw/zinc/74/11/12/782741112.db2.gz FRHUAMQVIDWXEH-UTUOFQBUSA-N 1 2 292.343 -1.130 20 0 CAADLO CC(=O)N[C@@H]1C[N@H+]([C@@H]2CCN(C)C2=O)C[C@@H]1n1ccnn1 ZINC001069885946 782741119 /nfs/dbraw/zinc/74/11/19/782741119.db2.gz FRHUAMQVIDWXEH-UTUOFQBUSA-N 1 2 292.343 -1.130 20 0 CAADLO O=C([C@@H]1CCS(=O)(=O)C1)N1CCC[N@@H+](CCO)CC1 ZINC000071349101 782741514 /nfs/dbraw/zinc/74/15/14/782741514.db2.gz CVUGBAGGGFQDEG-LLVKDONJSA-N 1 2 290.385 -1.052 20 0 CAADLO O=C([C@@H]1CCS(=O)(=O)C1)N1CCC[N@H+](CCO)CC1 ZINC000071349101 782741521 /nfs/dbraw/zinc/74/15/21/782741521.db2.gz CVUGBAGGGFQDEG-LLVKDONJSA-N 1 2 290.385 -1.052 20 0 CAADLO CC(=O)N[C@@H]1C[N@@H+]([C@H]2CCCNC2=O)C[C@@H]1n1ccnn1 ZINC001069884377 782741770 /nfs/dbraw/zinc/74/17/70/782741770.db2.gz HCSCVSDYWXRYGX-WOPDTQHZSA-N 1 2 292.343 -1.082 20 0 CAADLO CC(=O)N[C@@H]1C[N@H+]([C@H]2CCCNC2=O)C[C@@H]1n1ccnn1 ZINC001069884377 782741772 /nfs/dbraw/zinc/74/17/72/782741772.db2.gz HCSCVSDYWXRYGX-WOPDTQHZSA-N 1 2 292.343 -1.082 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(C)=O)[C@@H](n2ccnn2)C1 ZINC001069885404 782741946 /nfs/dbraw/zinc/74/19/46/782741946.db2.gz GOSLSZAGSBTEFG-GDPRMGEGSA-N 1 2 280.332 -1.226 20 0 CAADLO CNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(C)=O)[C@@H](n2ccnn2)C1 ZINC001069885404 782741950 /nfs/dbraw/zinc/74/19/50/782741950.db2.gz GOSLSZAGSBTEFG-GDPRMGEGSA-N 1 2 280.332 -1.226 20 0 CAADLO O=C(N[C@@H]1C[N@@H+](CCO)C[C@@H]1n1ccnn1)c1cn[nH]n1 ZINC001069965921 782743245 /nfs/dbraw/zinc/74/32/45/782743245.db2.gz MXBXVWJKQMGMFY-ZJUUUORDSA-N 1 2 292.303 -1.956 20 0 CAADLO O=C(N[C@@H]1C[N@H+](CCO)C[C@@H]1n1ccnn1)c1cn[nH]n1 ZINC001069965921 782743252 /nfs/dbraw/zinc/74/32/52/782743252.db2.gz MXBXVWJKQMGMFY-ZJUUUORDSA-N 1 2 292.303 -1.956 20 0 CAADLO CN1N=C(C(=O)N2CCC[N@H+](CC(N)=O)CC2)CCC1=O ZINC000149842784 782744208 /nfs/dbraw/zinc/74/42/08/782744208.db2.gz PSCVKDQYMTWKSB-UHFFFAOYSA-N 1 2 295.343 -1.386 20 0 CAADLO CN1N=C(C(=O)N2CCC[N@@H+](CC(N)=O)CC2)CCC1=O ZINC000149842784 782744211 /nfs/dbraw/zinc/74/42/11/782744211.db2.gz PSCVKDQYMTWKSB-UHFFFAOYSA-N 1 2 295.343 -1.386 20 0 CAADLO CC(=O)N1C[C@@H]([NH2+]Cc2nncn2C)[C@@H](n2ccnn2)C1 ZINC001070110118 782746379 /nfs/dbraw/zinc/74/63/79/782746379.db2.gz BKWDAPNWXDYXCG-MNOVXSKESA-N 1 2 290.331 -1.032 20 0 CAADLO O=C(c1cn[nH]c1)N1CCC(=O)NCC[N@@H+](CCO)CC1 ZINC001070943354 782755207 /nfs/dbraw/zinc/75/52/07/782755207.db2.gz LVAHAUKRUYASFV-UHFFFAOYSA-N 1 2 295.343 -1.334 20 0 CAADLO O=C(c1cn[nH]c1)N1CCC(=O)NCC[N@H+](CCO)CC1 ZINC001070943354 782755210 /nfs/dbraw/zinc/75/52/10/782755210.db2.gz LVAHAUKRUYASFV-UHFFFAOYSA-N 1 2 295.343 -1.334 20 0 CAADLO CO[C@H](C)C(=O)N1CCC(=O)NCC[N@@H+](CCO)CC1 ZINC001070943163 782755408 /nfs/dbraw/zinc/75/54/08/782755408.db2.gz DDJQQIRJULJPKG-LLVKDONJSA-N 1 2 287.360 -1.336 20 0 CAADLO CO[C@H](C)C(=O)N1CCC(=O)NCC[N@H+](CCO)CC1 ZINC001070943163 782755413 /nfs/dbraw/zinc/75/54/13/782755413.db2.gz DDJQQIRJULJPKG-LLVKDONJSA-N 1 2 287.360 -1.336 20 0 CAADLO O=C([C@H]1CCCO1)N1CCC(=O)NCC[N@@H+](CCO)CC1 ZINC001070936191 782755599 /nfs/dbraw/zinc/75/55/99/782755599.db2.gz GRNKEFRXBRLBPD-GFCCVEGCSA-N 1 2 299.371 -1.192 20 0 CAADLO O=C([C@H]1CCCO1)N1CCC(=O)NCC[N@H+](CCO)CC1 ZINC001070936191 782755605 /nfs/dbraw/zinc/75/56/05/782755605.db2.gz GRNKEFRXBRLBPD-GFCCVEGCSA-N 1 2 299.371 -1.192 20 0 CAADLO CSCC(=O)N1CCC(=O)NCC[N@@H+](CCO)CC1 ZINC001070937230 782755659 /nfs/dbraw/zinc/75/56/59/782755659.db2.gz NKOVDTRAXQAIQQ-UHFFFAOYSA-N 1 2 289.401 -1.008 20 0 CAADLO CSCC(=O)N1CCC(=O)NCC[N@H+](CCO)CC1 ZINC001070937230 782755666 /nfs/dbraw/zinc/75/56/66/782755666.db2.gz NKOVDTRAXQAIQQ-UHFFFAOYSA-N 1 2 289.401 -1.008 20 0 CAADLO NC(=O)CC(=O)N1CCC(=O)NCC[N@@H+](CCO)CC1 ZINC001070949694 782756682 /nfs/dbraw/zinc/75/66/82/782756682.db2.gz RWRAIRSWCNLBTQ-UHFFFAOYSA-N 1 2 286.332 -2.495 20 0 CAADLO NC(=O)CC(=O)N1CCC(=O)NCC[N@H+](CCO)CC1 ZINC001070949694 782756688 /nfs/dbraw/zinc/75/66/88/782756688.db2.gz RWRAIRSWCNLBTQ-UHFFFAOYSA-N 1 2 286.332 -2.495 20 0 CAADLO COCC(=O)N1C[C@H](C)O[C@@]2(CC[N@H+](CC(N)=O)C2)C1 ZINC001071112918 782757384 /nfs/dbraw/zinc/75/73/84/782757384.db2.gz HEEBFQHCDUOUFT-GXFFZTMASA-N 1 2 285.344 -1.190 20 0 CAADLO COCC(=O)N1C[C@H](C)O[C@@]2(CC[N@@H+](CC(N)=O)C2)C1 ZINC001071112918 782757391 /nfs/dbraw/zinc/75/73/91/782757391.db2.gz HEEBFQHCDUOUFT-GXFFZTMASA-N 1 2 285.344 -1.190 20 0 CAADLO C[C@@H](O)C[N@@H+]1CCNC(=O)CCN(C(=O)C(N)=O)CC1 ZINC001070993580 782757445 /nfs/dbraw/zinc/75/74/45/782757445.db2.gz HPRGJKHKNSIKJM-SECBINFHSA-N 1 2 286.332 -2.497 20 0 CAADLO C[C@@H](O)C[N@H+]1CCNC(=O)CCN(C(=O)C(N)=O)CC1 ZINC001070993580 782757452 /nfs/dbraw/zinc/75/74/52/782757452.db2.gz HPRGJKHKNSIKJM-SECBINFHSA-N 1 2 286.332 -2.497 20 0 CAADLO NC(=O)C(=O)N1CCC(=O)NCC[N@@H+](CCCO)CC1 ZINC001070993869 782757505 /nfs/dbraw/zinc/75/75/05/782757505.db2.gz RRFMCOGPQUNYBW-UHFFFAOYSA-N 1 2 286.332 -2.495 20 0 CAADLO NC(=O)C(=O)N1CCC(=O)NCC[N@H+](CCCO)CC1 ZINC001070993869 782757513 /nfs/dbraw/zinc/75/75/13/782757513.db2.gz RRFMCOGPQUNYBW-UHFFFAOYSA-N 1 2 286.332 -2.495 20 0 CAADLO C[C@H](O)C[N@@H+]1CCNC(=O)CCN(C(=O)C(N)=O)CC1 ZINC001070993581 782757749 /nfs/dbraw/zinc/75/77/49/782757749.db2.gz HPRGJKHKNSIKJM-VIFPVBQESA-N 1 2 286.332 -2.497 20 0 CAADLO C[C@H](O)C[N@H+]1CCNC(=O)CCN(C(=O)C(N)=O)CC1 ZINC001070993581 782757758 /nfs/dbraw/zinc/75/77/58/782757758.db2.gz HPRGJKHKNSIKJM-VIFPVBQESA-N 1 2 286.332 -2.497 20 0 CAADLO O=C(c1cn[nH]n1)N1CCC(=O)NCC[N@@H+](CCO)CC1 ZINC001070976484 782757791 /nfs/dbraw/zinc/75/77/91/782757791.db2.gz DYWCUTJDDLZQRH-UHFFFAOYSA-N 1 2 296.331 -1.939 20 0 CAADLO O=C(c1cn[nH]n1)N1CCC(=O)NCC[N@H+](CCO)CC1 ZINC001070976484 782757801 /nfs/dbraw/zinc/75/78/01/782757801.db2.gz DYWCUTJDDLZQRH-UHFFFAOYSA-N 1 2 296.331 -1.939 20 0 CAADLO CC[N@@H+]1CCNC(=O)CCN(C(=O)c2nnn(C)n2)CC1 ZINC001070987997 782757966 /nfs/dbraw/zinc/75/79/66/782757966.db2.gz AJUJUCNWIOBDBC-UHFFFAOYSA-N 1 2 295.347 -1.506 20 0 CAADLO CC[N@H+]1CCNC(=O)CCN(C(=O)c2nnn(C)n2)CC1 ZINC001070987997 782757972 /nfs/dbraw/zinc/75/79/72/782757972.db2.gz AJUJUCNWIOBDBC-UHFFFAOYSA-N 1 2 295.347 -1.506 20 0 CAADLO NC(=O)CC(=O)N[C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001071177149 782758627 /nfs/dbraw/zinc/75/86/27/782758627.db2.gz PKHBXPUEXRALCO-SECBINFHSA-N 1 2 293.327 -1.065 20 0 CAADLO C[C@@H]1CN(C(=O)C(N)=O)C[C@]2(CC[N@H+](CC(N)=O)C2)O1 ZINC001071207609 782759102 /nfs/dbraw/zinc/75/91/02/782759102.db2.gz ZFUYQIJASNSSKZ-PRHODGIISA-N 1 2 284.316 -2.351 20 0 CAADLO C[C@@H]1CN(C(=O)C(N)=O)C[C@]2(CC[N@@H+](CC(N)=O)C2)O1 ZINC001071207609 782759108 /nfs/dbraw/zinc/75/91/08/782759108.db2.gz ZFUYQIJASNSSKZ-PRHODGIISA-N 1 2 284.316 -2.351 20 0 CAADLO NC(=O)C(=O)N1CCC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001071222853 782760294 /nfs/dbraw/zinc/76/02/94/782760294.db2.gz SXOJGPKNAIDFRG-SNVBAGLBSA-N 1 2 293.327 -1.065 20 0 CAADLO NC(=O)C(=O)N1CCC[C@@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001071222853 782760303 /nfs/dbraw/zinc/76/03/03/782760303.db2.gz SXOJGPKNAIDFRG-SNVBAGLBSA-N 1 2 293.327 -1.065 20 0 CAADLO CC(=O)N[C@H]1CC[C@H](C)[N@@H+](CC(=O)N2CCNC(=O)C2)C1 ZINC001071286106 782760498 /nfs/dbraw/zinc/76/04/98/782760498.db2.gz PORKFFJBAXQQDM-JQWIXIFHSA-N 1 2 296.371 -1.066 20 0 CAADLO CC(=O)N[C@H]1CC[C@H](C)[N@H+](CC(=O)N2CCNC(=O)C2)C1 ZINC001071286106 782760502 /nfs/dbraw/zinc/76/05/02/782760502.db2.gz PORKFFJBAXQQDM-JQWIXIFHSA-N 1 2 296.371 -1.066 20 0 CAADLO NC(=O)CC(=O)N[C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001071415228 782760770 /nfs/dbraw/zinc/76/07/70/782760770.db2.gz BRSNMQROBIRCKJ-SECBINFHSA-N 1 2 293.327 -1.065 20 0 CAADLO C[C@@H]1CC[C@@H](NC(=O)c2cn(C)nn2)C[N@@H+]1CC(N)=O ZINC001071467450 782762245 /nfs/dbraw/zinc/76/22/45/782762245.db2.gz RGYSJQTUFQHNGM-RKDXNWHRSA-N 1 2 280.332 -1.117 20 0 CAADLO C[C@@H]1CC[C@@H](NC(=O)c2cn(C)nn2)C[N@H+]1CC(N)=O ZINC001071467450 782762249 /nfs/dbraw/zinc/76/22/49/782762249.db2.gz RGYSJQTUFQHNGM-RKDXNWHRSA-N 1 2 280.332 -1.117 20 0 CAADLO C[C@H]1CC[C@@H](NC(=O)c2cn(C)nn2)C[N@@H+]1CC(N)=O ZINC001071467448 782762432 /nfs/dbraw/zinc/76/24/32/782762432.db2.gz RGYSJQTUFQHNGM-DTWKUNHWSA-N 1 2 280.332 -1.117 20 0 CAADLO C[C@H]1CC[C@@H](NC(=O)c2cn(C)nn2)C[N@H+]1CC(N)=O ZINC001071467448 782762442 /nfs/dbraw/zinc/76/24/42/782762442.db2.gz RGYSJQTUFQHNGM-DTWKUNHWSA-N 1 2 280.332 -1.117 20 0 CAADLO CC(=O)N1CC(C(=O)N[C@H]2CC[C@@H](C)[N@@H+](CC(N)=O)C2)C1 ZINC001071460990 782762477 /nfs/dbraw/zinc/76/24/77/782762477.db2.gz POHFBBJNAAEIFH-SKDRFNHKSA-N 1 2 296.371 -1.081 20 0 CAADLO CC(=O)N1CC(C(=O)N[C@H]2CC[C@@H](C)[N@H+](CC(N)=O)C2)C1 ZINC001071460990 782762486 /nfs/dbraw/zinc/76/24/86/782762486.db2.gz POHFBBJNAAEIFH-SKDRFNHKSA-N 1 2 296.371 -1.081 20 0 CAADLO C[C@H]1CC[C@@H](NC(=O)c2ncn(C)n2)C[N@@H+]1CC(N)=O ZINC001071488748 782763896 /nfs/dbraw/zinc/76/38/96/782763896.db2.gz WEPRGLKNUXPTQB-DTWKUNHWSA-N 1 2 280.332 -1.117 20 0 CAADLO C[C@H]1CC[C@@H](NC(=O)c2ncn(C)n2)C[N@H+]1CC(N)=O ZINC001071488748 782763903 /nfs/dbraw/zinc/76/39/03/782763903.db2.gz WEPRGLKNUXPTQB-DTWKUNHWSA-N 1 2 280.332 -1.117 20 0 CAADLO C[C@H]1CC[C@H](NC(=O)Cn2nccn2)C[N@@H+]1CC(N)=O ZINC001071538671 782764767 /nfs/dbraw/zinc/76/47/67/782764767.db2.gz HMNGRHZUTQDDDF-UWVGGRQHSA-N 1 2 280.332 -1.268 20 0 CAADLO C[C@H]1CC[C@H](NC(=O)Cn2nccn2)C[N@H+]1CC(N)=O ZINC001071538671 782764776 /nfs/dbraw/zinc/76/47/76/782764776.db2.gz HMNGRHZUTQDDDF-UWVGGRQHSA-N 1 2 280.332 -1.268 20 0 CAADLO C[C@@H]1CC[C@@H](NC(=O)Cn2nccn2)C[N@@H+]1CC(N)=O ZINC001071538666 782765029 /nfs/dbraw/zinc/76/50/29/782765029.db2.gz HMNGRHZUTQDDDF-NXEZZACHSA-N 1 2 280.332 -1.268 20 0 CAADLO C[C@@H]1CC[C@@H](NC(=O)Cn2nccn2)C[N@H+]1CC(N)=O ZINC001071538666 782765036 /nfs/dbraw/zinc/76/50/36/782765036.db2.gz HMNGRHZUTQDDDF-NXEZZACHSA-N 1 2 280.332 -1.268 20 0 CAADLO C[C@H]1CC[C@H](NC(=O)C2CS(=O)(=O)C2)C[N@@H+]1CCO ZINC001071531502 782765514 /nfs/dbraw/zinc/76/55/14/782765514.db2.gz MJHZAHNIZBQTAH-ONGXEEELSA-N 1 2 290.385 -1.008 20 0 CAADLO C[C@H]1CC[C@H](NC(=O)C2CS(=O)(=O)C2)C[N@H+]1CCO ZINC001071531502 782765520 /nfs/dbraw/zinc/76/55/20/782765520.db2.gz MJHZAHNIZBQTAH-ONGXEEELSA-N 1 2 290.385 -1.008 20 0 CAADLO C[C@H]1CC[C@H](NC(=O)C(N)=O)C[N@@H+]1CC(=O)N1CCC1 ZINC001071779948 782767588 /nfs/dbraw/zinc/76/75/88/782767588.db2.gz RIMKYKWCQOIPCU-UWVGGRQHSA-N 1 2 282.344 -1.327 20 0 CAADLO C[C@H]1CC[C@H](NC(=O)C(N)=O)C[N@H+]1CC(=O)N1CCC1 ZINC001071779948 782767601 /nfs/dbraw/zinc/76/76/01/782767601.db2.gz RIMKYKWCQOIPCU-UWVGGRQHSA-N 1 2 282.344 -1.327 20 0 CAADLO CNC(=O)C[N@@H+]1C[C@H](NC(=O)c2nnn(C)n2)CC[C@@H]1C ZINC001071743540 782767937 /nfs/dbraw/zinc/76/79/37/782767937.db2.gz AENAJUFCCWBBJN-DTWKUNHWSA-N 1 2 295.347 -1.461 20 0 CAADLO CNC(=O)C[N@H+]1C[C@H](NC(=O)c2nnn(C)n2)CC[C@@H]1C ZINC001071743540 782767938 /nfs/dbraw/zinc/76/79/38/782767938.db2.gz AENAJUFCCWBBJN-DTWKUNHWSA-N 1 2 295.347 -1.461 20 0 CAADLO CNC(=O)C[N@@H+]1C[C@@H](NC(=O)C(N)=O)CC[C@@H]1C ZINC001071778934 782768148 /nfs/dbraw/zinc/76/81/48/782768148.db2.gz BMZWYELJHYEPDU-YUMQZZPRSA-N 1 2 256.306 -1.813 20 0 CAADLO CNC(=O)C[N@H+]1C[C@@H](NC(=O)C(N)=O)CC[C@@H]1C ZINC001071778934 782768150 /nfs/dbraw/zinc/76/81/50/782768150.db2.gz BMZWYELJHYEPDU-YUMQZZPRSA-N 1 2 256.306 -1.813 20 0 CAADLO C[C@@H]1CC[C@@H](NC(=O)C(N)=O)C[N@@H+]1CC(=O)N1CCC1 ZINC001071779947 782768160 /nfs/dbraw/zinc/76/81/60/782768160.db2.gz RIMKYKWCQOIPCU-NXEZZACHSA-N 1 2 282.344 -1.327 20 0 CAADLO C[C@@H]1CC[C@@H](NC(=O)C(N)=O)C[N@H+]1CC(=O)N1CCC1 ZINC001071779947 782768168 /nfs/dbraw/zinc/76/81/68/782768168.db2.gz RIMKYKWCQOIPCU-NXEZZACHSA-N 1 2 282.344 -1.327 20 0 CAADLO C[C@H]1CC[C@@H](NC(=O)C(N)=O)C[N@@H+]1CC(=O)N(C)C ZINC001071787812 782769499 /nfs/dbraw/zinc/76/94/99/782769499.db2.gz DZCZJDSTPUTUHU-DTWKUNHWSA-N 1 2 270.333 -1.471 20 0 CAADLO C[C@H]1CC[C@@H](NC(=O)C(N)=O)C[N@H+]1CC(=O)N(C)C ZINC001071787812 782769510 /nfs/dbraw/zinc/76/95/10/782769510.db2.gz DZCZJDSTPUTUHU-DTWKUNHWSA-N 1 2 270.333 -1.471 20 0 CAADLO C[C@@H]1CC[C@H](NC(=O)C(N)=O)C[N@@H+]1CC(=O)NC1CC1 ZINC001071789124 782769694 /nfs/dbraw/zinc/76/96/94/782769694.db2.gz OTFSDTNJGPMCIH-SCZZXKLOSA-N 1 2 282.344 -1.281 20 0 CAADLO C[C@@H]1CC[C@H](NC(=O)C(N)=O)C[N@H+]1CC(=O)NC1CC1 ZINC001071789124 782769696 /nfs/dbraw/zinc/76/96/96/782769696.db2.gz OTFSDTNJGPMCIH-SCZZXKLOSA-N 1 2 282.344 -1.281 20 0 CAADLO C[C@@H]1CC[C@H](NC(=O)c2cnn(C)n2)C[N@@H+]1CC(N)=O ZINC001071892359 782770542 /nfs/dbraw/zinc/77/05/42/782770542.db2.gz FGHQXOVNRSCANH-BDAKNGLRSA-N 1 2 280.332 -1.117 20 0 CAADLO C[C@@H]1CC[C@H](NC(=O)c2cnn(C)n2)C[N@H+]1CC(N)=O ZINC001071892359 782770556 /nfs/dbraw/zinc/77/05/56/782770556.db2.gz FGHQXOVNRSCANH-BDAKNGLRSA-N 1 2 280.332 -1.117 20 0 CAADLO C[C@H]1CC[C@H](NC(=O)c2cnn(C)n2)C[N@@H+]1CC(N)=O ZINC001071892361 782771194 /nfs/dbraw/zinc/77/11/94/782771194.db2.gz FGHQXOVNRSCANH-IUCAKERBSA-N 1 2 280.332 -1.117 20 0 CAADLO C[C@H]1CC[C@H](NC(=O)c2cnn(C)n2)C[N@H+]1CC(N)=O ZINC001071892361 782771197 /nfs/dbraw/zinc/77/11/97/782771197.db2.gz FGHQXOVNRSCANH-IUCAKERBSA-N 1 2 280.332 -1.117 20 0 CAADLO C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1NC(=O)CC(N)=O ZINC001072602566 782778419 /nfs/dbraw/zinc/77/84/19/782778419.db2.gz JVRHLMPZADBNGK-BDAKNGLRSA-N 1 2 293.327 -1.209 20 0 CAADLO C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1NC(=O)CC(N)=O ZINC001072602569 782778618 /nfs/dbraw/zinc/77/86/18/782778618.db2.gz JVRHLMPZADBNGK-RKDXNWHRSA-N 1 2 293.327 -1.209 20 0 CAADLO C[C@H]1CN(C(=O)C(N)=O)C[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC001072641174 782780441 /nfs/dbraw/zinc/78/04/41/782780441.db2.gz LGZZTVCECULRAK-VHSXEESVSA-N 1 2 293.327 -1.278 20 0 CAADLO C[C@H](c1nncn1C)[N@@H+]1CCC2(CN(C(=O)C(N)=O)C2)C1 ZINC001072936170 782785642 /nfs/dbraw/zinc/78/56/42/782785642.db2.gz SUFMEKUKCYRJBI-SECBINFHSA-N 1 2 292.343 -1.104 20 0 CAADLO C[C@H](c1nncn1C)[N@H+]1CCC2(CN(C(=O)C(N)=O)C2)C1 ZINC001072936170 782785646 /nfs/dbraw/zinc/78/56/46/782785646.db2.gz SUFMEKUKCYRJBI-SECBINFHSA-N 1 2 292.343 -1.104 20 0 CAADLO Cn1ccnc1C[N@@H+]1CCC2(CN(C(=O)C(N)=O)C2)C1 ZINC001072934423 782785684 /nfs/dbraw/zinc/78/56/84/782785684.db2.gz CTQIMNUXEQUROQ-UHFFFAOYSA-N 1 2 277.328 -1.060 20 0 CAADLO Cn1ccnc1C[N@H+]1CCC2(CN(C(=O)C(N)=O)C2)C1 ZINC001072934423 782785689 /nfs/dbraw/zinc/78/56/89/782785689.db2.gz CTQIMNUXEQUROQ-UHFFFAOYSA-N 1 2 277.328 -1.060 20 0 CAADLO C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1NC(=O)CC(N)=O ZINC001072798530 782784109 /nfs/dbraw/zinc/78/41/09/782784109.db2.gz NQIWRDNGRYQBQH-SCZZXKLOSA-N 1 2 293.327 -1.209 20 0 CAADLO C[C@@H](c1nncn1C)[N@@H+]1CCC2(CN(C(=O)C(N)=O)C2)C1 ZINC001072936171 782786279 /nfs/dbraw/zinc/78/62/79/782786279.db2.gz SUFMEKUKCYRJBI-VIFPVBQESA-N 1 2 292.343 -1.104 20 0 CAADLO C[C@@H](c1nncn1C)[N@H+]1CCC2(CN(C(=O)C(N)=O)C2)C1 ZINC001072936171 782786285 /nfs/dbraw/zinc/78/62/85/782786285.db2.gz SUFMEKUKCYRJBI-VIFPVBQESA-N 1 2 292.343 -1.104 20 0 CAADLO CC1(NC(=O)C(N)=O)CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001073127475 782788323 /nfs/dbraw/zinc/78/83/23/782788323.db2.gz QYDBPXDVBOCOQY-UHFFFAOYSA-N 1 2 293.327 -1.134 20 0 CAADLO NC(=O)C[N@@H+]1CCCO[C@@H](CNC(=O)c2cnccn2)C1 ZINC001073522784 782792170 /nfs/dbraw/zinc/79/21/70/782792170.db2.gz LFDQVOJOLSDSKQ-JTQLQIEISA-N 1 2 293.327 -1.217 20 0 CAADLO NC(=O)C[N@H+]1CCCO[C@@H](CNC(=O)c2cnccn2)C1 ZINC001073522784 782792175 /nfs/dbraw/zinc/79/21/75/782792175.db2.gz LFDQVOJOLSDSKQ-JTQLQIEISA-N 1 2 293.327 -1.217 20 0 CAADLO NC(=O)C[N@@H+]1CCCO[C@H](CNC(=O)c2cnccn2)C1 ZINC001073522785 782791650 /nfs/dbraw/zinc/79/16/50/782791650.db2.gz LFDQVOJOLSDSKQ-SNVBAGLBSA-N 1 2 293.327 -1.217 20 0 CAADLO NC(=O)C[N@H+]1CCCO[C@H](CNC(=O)c2cnccn2)C1 ZINC001073522785 782791653 /nfs/dbraw/zinc/79/16/53/782791653.db2.gz LFDQVOJOLSDSKQ-SNVBAGLBSA-N 1 2 293.327 -1.217 20 0 CAADLO NC(=O)C[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCCO2)C1 ZINC001073522704 782791715 /nfs/dbraw/zinc/79/17/15/782791715.db2.gz JYZCIVWOHVFDPE-QWRGUYRKSA-N 1 2 285.344 -1.142 20 0 CAADLO NC(=O)C[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCCO2)C1 ZINC001073522704 782791721 /nfs/dbraw/zinc/79/17/21/782791721.db2.gz JYZCIVWOHVFDPE-QWRGUYRKSA-N 1 2 285.344 -1.142 20 0 CAADLO NC(=O)C[N@@H+]1CCCO[C@H](CNC(=O)C2=COCCO2)C1 ZINC001073518958 782791996 /nfs/dbraw/zinc/79/19/96/782791996.db2.gz BFMOUXDOQZQMEM-SNVBAGLBSA-N 1 2 299.327 -1.433 20 0 CAADLO NC(=O)C[N@H+]1CCCO[C@H](CNC(=O)C2=COCCO2)C1 ZINC001073518958 782792004 /nfs/dbraw/zinc/79/20/04/782792004.db2.gz BFMOUXDOQZQMEM-SNVBAGLBSA-N 1 2 299.327 -1.433 20 0 CAADLO CNC(=O)C[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2CCOC2)C1 ZINC001073546029 782792036 /nfs/dbraw/zinc/79/20/36/782792036.db2.gz XRKWSNGEQLJBCD-NWDGAFQWSA-N 1 2 299.371 -1.024 20 0 CAADLO CNC(=O)C[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CCOC2)C1 ZINC001073546029 782792043 /nfs/dbraw/zinc/79/20/43/782792043.db2.gz XRKWSNGEQLJBCD-NWDGAFQWSA-N 1 2 299.371 -1.024 20 0 CAADLO NC(=O)C[N@@H+]1CCCO[C@H](CNC(=O)c2ccn[nH]2)C1 ZINC001073543872 782792735 /nfs/dbraw/zinc/79/27/35/782792735.db2.gz RLLQNYDEWIQRIK-SECBINFHSA-N 1 2 281.316 -1.284 20 0 CAADLO NC(=O)C[N@H+]1CCCO[C@H](CNC(=O)c2ccn[nH]2)C1 ZINC001073543872 782792739 /nfs/dbraw/zinc/79/27/39/782792739.db2.gz RLLQNYDEWIQRIK-SECBINFHSA-N 1 2 281.316 -1.284 20 0 CAADLO CNC(=O)C[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCOC2)C1 ZINC001073546031 782793139 /nfs/dbraw/zinc/79/31/39/782793139.db2.gz XRKWSNGEQLJBCD-VXGBXAGGSA-N 1 2 299.371 -1.024 20 0 CAADLO CNC(=O)C[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCOC2)C1 ZINC001073546031 782793148 /nfs/dbraw/zinc/79/31/48/782793148.db2.gz XRKWSNGEQLJBCD-VXGBXAGGSA-N 1 2 299.371 -1.024 20 0 CAADLO Cn1cc(C(=O)NC[C@H]2C[N@H+](CC(N)=O)CCCO2)nn1 ZINC001073591056 782793855 /nfs/dbraw/zinc/79/38/55/782793855.db2.gz CPSJDIHRIIFRII-VIFPVBQESA-N 1 2 296.331 -1.879 20 0 CAADLO Cn1cc(C(=O)NC[C@H]2C[N@@H+](CC(N)=O)CCCO2)nn1 ZINC001073591056 782793859 /nfs/dbraw/zinc/79/38/59/782793859.db2.gz CPSJDIHRIIFRII-VIFPVBQESA-N 1 2 296.331 -1.879 20 0 CAADLO NC(=O)C[N@@H+]1CCCO[C@H](CNC(=O)c2cocn2)C1 ZINC001073556772 782794214 /nfs/dbraw/zinc/79/42/14/782794214.db2.gz OERCYNIAORRJFT-SECBINFHSA-N 1 2 282.300 -1.019 20 0 CAADLO NC(=O)C[N@H+]1CCCO[C@H](CNC(=O)c2cocn2)C1 ZINC001073556772 782794218 /nfs/dbraw/zinc/79/42/18/782794218.db2.gz OERCYNIAORRJFT-SECBINFHSA-N 1 2 282.300 -1.019 20 0 CAADLO Cn1nncc1C(=O)NC[C@@H]1C[N@H+](CC(N)=O)CCCO1 ZINC001073590192 782794496 /nfs/dbraw/zinc/79/44/96/782794496.db2.gz ZHENOKYWQNFVET-SECBINFHSA-N 1 2 296.331 -1.879 20 0 CAADLO Cn1nncc1C(=O)NC[C@@H]1C[N@@H+](CC(N)=O)CCCO1 ZINC001073590192 782794501 /nfs/dbraw/zinc/79/45/01/782794501.db2.gz ZHENOKYWQNFVET-SECBINFHSA-N 1 2 296.331 -1.879 20 0 CAADLO NC(=O)C[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCNC2=O)C1 ZINC001073726181 782795660 /nfs/dbraw/zinc/79/56/60/782795660.db2.gz FYGUUUZOURZRKH-UWVGGRQHSA-N 1 2 298.343 -2.185 20 0 CAADLO NC(=O)C[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCNC2=O)C1 ZINC001073726181 782795661 /nfs/dbraw/zinc/79/56/61/782795661.db2.gz FYGUUUZOURZRKH-UWVGGRQHSA-N 1 2 298.343 -2.185 20 0 CAADLO NC(=O)C[N@@H+]1CCCO[C@@H](CNC(=O)c2csnn2)C1 ZINC001073713427 782796119 /nfs/dbraw/zinc/79/61/19/782796119.db2.gz AZESKJKNPYQTJF-QMMMGPOBSA-N 1 2 299.356 -1.156 20 0 CAADLO NC(=O)C[N@H+]1CCCO[C@@H](CNC(=O)c2csnn2)C1 ZINC001073713427 782796125 /nfs/dbraw/zinc/79/61/25/782796125.db2.gz AZESKJKNPYQTJF-QMMMGPOBSA-N 1 2 299.356 -1.156 20 0 CAADLO Cc1nn[nH]c1C(=O)NC[C@@H]1C[N@H+](CC(N)=O)CCCO1 ZINC001073723110 782796204 /nfs/dbraw/zinc/79/62/04/782796204.db2.gz ZYXREXTZVYRXBG-SECBINFHSA-N 1 2 296.331 -1.581 20 0 CAADLO Cc1nn[nH]c1C(=O)NC[C@@H]1C[N@@H+](CC(N)=O)CCCO1 ZINC001073723110 782796210 /nfs/dbraw/zinc/79/62/10/782796210.db2.gz ZYXREXTZVYRXBG-SECBINFHSA-N 1 2 296.331 -1.581 20 0 CAADLO NC(=O)C[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001073734038 782797833 /nfs/dbraw/zinc/79/78/33/782797833.db2.gz NINWWTPJWRNUJE-DCQANWLSSA-N 1 2 297.355 -1.429 20 0 CAADLO NC(=O)C[N@H+]1CCCO[C@H](CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001073734038 782797836 /nfs/dbraw/zinc/79/78/36/782797836.db2.gz NINWWTPJWRNUJE-DCQANWLSSA-N 1 2 297.355 -1.429 20 0 CAADLO NC(=O)C[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001073775624 782797961 /nfs/dbraw/zinc/79/79/61/782797961.db2.gz YJHSVJXXJLARGN-AEJSXWLSSA-N 1 2 298.343 -2.200 20 0 CAADLO NC(=O)C[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001073775624 782797967 /nfs/dbraw/zinc/79/79/67/782797967.db2.gz YJHSVJXXJLARGN-AEJSXWLSSA-N 1 2 298.343 -2.200 20 0 CAADLO Cn1nnc(C(=O)NC[C@H]2C[N@H+](CC(N)=O)CCCO2)n1 ZINC001073733656 782798148 /nfs/dbraw/zinc/79/81/48/782798148.db2.gz HESDYXJUNRHVQL-QMMMGPOBSA-N 1 2 297.319 -2.484 20 0 CAADLO Cn1nnc(C(=O)NC[C@H]2C[N@@H+](CC(N)=O)CCCO2)n1 ZINC001073733656 782798156 /nfs/dbraw/zinc/79/81/56/782798156.db2.gz HESDYXJUNRHVQL-QMMMGPOBSA-N 1 2 297.319 -2.484 20 0 CAADLO Cn1ncc(C(=O)NC[C@@H]2C[N@H+](CC(N)=O)CCCO2)n1 ZINC001073818292 782798810 /nfs/dbraw/zinc/79/88/10/782798810.db2.gz DEZDSBFFZFWXCL-SECBINFHSA-N 1 2 296.331 -1.879 20 0 CAADLO Cn1ncc(C(=O)NC[C@@H]2C[N@@H+](CC(N)=O)CCCO2)n1 ZINC001073818292 782798816 /nfs/dbraw/zinc/79/88/16/782798816.db2.gz DEZDSBFFZFWXCL-SECBINFHSA-N 1 2 296.331 -1.879 20 0 CAADLO O=C(NC[C@H]1C[N@H+](CCO)CCCO1)c1nc[nH]n1 ZINC001073825124 782798873 /nfs/dbraw/zinc/79/88/73/782798873.db2.gz FKFPUHHRZOMTDU-VIFPVBQESA-N 1 2 269.305 -1.382 20 0 CAADLO O=C(NC[C@H]1C[N@@H+](CCO)CCCO1)c1nc[nH]n1 ZINC001073825124 782798878 /nfs/dbraw/zinc/79/88/78/782798878.db2.gz FKFPUHHRZOMTDU-VIFPVBQESA-N 1 2 269.305 -1.382 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CCCO[C@H](CNC(=O)c2cnon2)C1 ZINC001073827974 782800610 /nfs/dbraw/zinc/80/06/10/782800610.db2.gz BSBDVTNYOYYJRX-DTWKUNHWSA-N 1 2 297.315 -1.236 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CCCO[C@H](CNC(=O)c2cnon2)C1 ZINC001073827974 782800614 /nfs/dbraw/zinc/80/06/14/782800614.db2.gz BSBDVTNYOYYJRX-DTWKUNHWSA-N 1 2 297.315 -1.236 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CCCO[C@@H](CNC(=O)c2cnon2)C1 ZINC001073827973 782800982 /nfs/dbraw/zinc/80/09/82/782800982.db2.gz BSBDVTNYOYYJRX-BDAKNGLRSA-N 1 2 297.315 -1.236 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CCCO[C@@H](CNC(=O)c2cnon2)C1 ZINC001073827973 782800989 /nfs/dbraw/zinc/80/09/89/782800989.db2.gz BSBDVTNYOYYJRX-BDAKNGLRSA-N 1 2 297.315 -1.236 20 0 CAADLO CC[N@@H+]1CCO[C@H]2CCN(C(=O)Cn3cnnn3)C[C@@H]21 ZINC001074159179 782802213 /nfs/dbraw/zinc/80/22/13/782802213.db2.gz AGESCQVLIXSDJY-QWRGUYRKSA-N 1 2 280.332 -1.005 20 0 CAADLO CC[N@H+]1CCO[C@H]2CCN(C(=O)Cn3cnnn3)C[C@@H]21 ZINC001074159179 782802222 /nfs/dbraw/zinc/80/22/22/782802222.db2.gz AGESCQVLIXSDJY-QWRGUYRKSA-N 1 2 280.332 -1.005 20 0 CAADLO O=C(Cn1ncnn1)N1CC[C@H]2OCC[N@@H+](CCO)[C@H]2C1 ZINC001074241538 782802887 /nfs/dbraw/zinc/80/28/87/782802887.db2.gz KAYRSRXNPIALIO-WDEREUQCSA-N 1 2 296.331 -2.033 20 0 CAADLO O=C(Cn1ncnn1)N1CC[C@H]2OCC[N@H+](CCO)[C@H]2C1 ZINC001074241538 782802891 /nfs/dbraw/zinc/80/28/91/782802891.db2.gz KAYRSRXNPIALIO-WDEREUQCSA-N 1 2 296.331 -2.033 20 0 CAADLO NC(=O)CC(=O)N1CC[C@H]2OCC[N@H+](CCCO)[C@@H]2C1 ZINC001074196351 782802926 /nfs/dbraw/zinc/80/29/26/782802926.db2.gz KVIZIHIRWSUHFS-GHMZBOCLSA-N 1 2 285.344 -1.454 20 0 CAADLO NC(=O)CC(=O)N1CC[C@H]2OCC[N@@H+](CCCO)[C@@H]2C1 ZINC001074196351 782802933 /nfs/dbraw/zinc/80/29/33/782802933.db2.gz KVIZIHIRWSUHFS-GHMZBOCLSA-N 1 2 285.344 -1.454 20 0 CAADLO NC(=O)CC(=O)N1CC[C@@H]2OCC[N@H+](CCO)[C@H]2C1 ZINC001074197272 782802973 /nfs/dbraw/zinc/80/29/73/782802973.db2.gz UTVZCEOXDKWVKY-UWVGGRQHSA-N 1 2 271.317 -1.844 20 0 CAADLO NC(=O)CC(=O)N1CC[C@@H]2OCC[N@@H+](CCO)[C@H]2C1 ZINC001074197272 782802981 /nfs/dbraw/zinc/80/29/81/782802981.db2.gz UTVZCEOXDKWVKY-UWVGGRQHSA-N 1 2 271.317 -1.844 20 0 CAADLO O=C(Cn1ncnn1)N1CC[C@H]2OCC[N@@H+](CCO)[C@@H]2C1 ZINC001074241535 782803067 /nfs/dbraw/zinc/80/30/67/782803067.db2.gz KAYRSRXNPIALIO-GHMZBOCLSA-N 1 2 296.331 -2.033 20 0 CAADLO O=C(Cn1ncnn1)N1CC[C@H]2OCC[N@H+](CCO)[C@@H]2C1 ZINC001074241535 782803075 /nfs/dbraw/zinc/80/30/75/782803075.db2.gz KAYRSRXNPIALIO-GHMZBOCLSA-N 1 2 296.331 -2.033 20 0 CAADLO NC(=O)CC(=O)N1CC[C@H]2OCC[N@H+](CCO)[C@H]2C1 ZINC001074197273 782803219 /nfs/dbraw/zinc/80/32/19/782803219.db2.gz UTVZCEOXDKWVKY-VHSXEESVSA-N 1 2 271.317 -1.844 20 0 CAADLO NC(=O)CC(=O)N1CC[C@H]2OCC[N@@H+](CCO)[C@H]2C1 ZINC001074197273 782803230 /nfs/dbraw/zinc/80/32/30/782803230.db2.gz UTVZCEOXDKWVKY-VHSXEESVSA-N 1 2 271.317 -1.844 20 0 CAADLO NC(=O)CC(=O)N1CC[C@@H]2OCC[N@H+](CCCO)[C@H]2C1 ZINC001074196353 782803576 /nfs/dbraw/zinc/80/35/76/782803576.db2.gz KVIZIHIRWSUHFS-QWRGUYRKSA-N 1 2 285.344 -1.454 20 0 CAADLO NC(=O)CC(=O)N1CC[C@@H]2OCC[N@@H+](CCCO)[C@H]2C1 ZINC001074196353 782803580 /nfs/dbraw/zinc/80/35/80/782803580.db2.gz KVIZIHIRWSUHFS-QWRGUYRKSA-N 1 2 285.344 -1.454 20 0 CAADLO O=C(Cn1cncn1)N1CC[C@@H]2OCC[N@@H+](CCO)[C@@H]2C1 ZINC001074399833 782805202 /nfs/dbraw/zinc/80/52/02/782805202.db2.gz KSMDHQJLRPMLPK-NEPJUHHUSA-N 1 2 295.343 -1.428 20 0 CAADLO O=C(Cn1cncn1)N1CC[C@@H]2OCC[N@H+](CCO)[C@@H]2C1 ZINC001074399833 782805212 /nfs/dbraw/zinc/80/52/12/782805212.db2.gz KSMDHQJLRPMLPK-NEPJUHHUSA-N 1 2 295.343 -1.428 20 0 CAADLO C[C@H]([NH2+][C@H]1CCN(C(=O)Cc2ncn[nH]2)[C@H]1C)C(N)=O ZINC001075026802 782814985 /nfs/dbraw/zinc/81/49/85/782814985.db2.gz SHYDJKSIHNHXAM-CIUDSAMLSA-N 1 2 280.332 -1.200 20 0 CAADLO CCC(=O)N[C@@H]1CC[N@H+](CC(=O)NC(N)=O)C[C@@H]1O ZINC001099605431 782820483 /nfs/dbraw/zinc/82/04/83/782820483.db2.gz XMYXRNQGMHWFRO-SFYZADRCSA-N 1 2 272.305 -1.857 20 0 CAADLO CCC(=O)N[C@@H]1CC[N@@H+](CC(=O)NC(N)=O)C[C@@H]1O ZINC001099605431 782820490 /nfs/dbraw/zinc/82/04/90/782820490.db2.gz XMYXRNQGMHWFRO-SFYZADRCSA-N 1 2 272.305 -1.857 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1nc[nH]n1)C2 ZINC001098184882 782817244 /nfs/dbraw/zinc/81/72/44/782817244.db2.gz JTULABYKBUXOLC-KYXWUPHJSA-N 1 2 292.343 -1.058 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1nc[nH]n1)C2 ZINC001098184882 782817251 /nfs/dbraw/zinc/81/72/51/782817251.db2.gz JTULABYKBUXOLC-KYXWUPHJSA-N 1 2 292.343 -1.058 20 0 CAADLO NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC(=O)N1)C2 ZINC001098244600 782817287 /nfs/dbraw/zinc/81/72/87/782817287.db2.gz LSYHMMGOVFKDBZ-RGOKHQFPSA-N 1 2 280.328 -1.528 20 0 CAADLO NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC(=O)N1)C2 ZINC001098244600 782817291 /nfs/dbraw/zinc/81/72/91/782817291.db2.gz LSYHMMGOVFKDBZ-RGOKHQFPSA-N 1 2 280.328 -1.528 20 0 CAADLO CCC(=O)N[C@H]1CC[N@H+](CC(=O)NC(=O)NC)C[C@@H]1O ZINC001099604885 782820364 /nfs/dbraw/zinc/82/03/64/782820364.db2.gz DHNVIPXJQIJXCX-IUCAKERBSA-N 1 2 286.332 -1.597 20 0 CAADLO CCC(=O)N[C@H]1CC[N@@H+](CC(=O)NC(=O)NC)C[C@@H]1O ZINC001099604885 782820369 /nfs/dbraw/zinc/82/03/69/782820369.db2.gz DHNVIPXJQIJXCX-IUCAKERBSA-N 1 2 286.332 -1.597 20 0 CAADLO CC(=O)N[C@@H]1CC[N@H+](CC(=O)NC(N)=O)C[C@@H]1O ZINC001099607244 782818885 /nfs/dbraw/zinc/81/88/85/782818885.db2.gz KFZARBRDTRPTQP-SFYZADRCSA-N 1 2 258.278 -2.247 20 0 CAADLO CC(=O)N[C@@H]1CC[N@@H+](CC(=O)NC(N)=O)C[C@@H]1O ZINC001099607244 782818891 /nfs/dbraw/zinc/81/88/91/782818891.db2.gz KFZARBRDTRPTQP-SFYZADRCSA-N 1 2 258.278 -2.247 20 0 CAADLO CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)C(F)F)[C@H](O)C1 ZINC001099606832 782819215 /nfs/dbraw/zinc/81/92/15/782819215.db2.gz DERRRMCNOMPWPC-JGVFFNPUSA-N 1 2 279.287 -1.061 20 0 CAADLO CCNC(=O)C[N@H+]1CC[C@H](NC(=O)C(F)F)[C@H](O)C1 ZINC001099606832 782819220 /nfs/dbraw/zinc/81/92/20/782819220.db2.gz DERRRMCNOMPWPC-JGVFFNPUSA-N 1 2 279.287 -1.061 20 0 CAADLO CCC(=O)N[C@@H]1CC[N@H+](CC(=O)NC(=O)NC)C[C@@H]1O ZINC001099604883 782819671 /nfs/dbraw/zinc/81/96/71/782819671.db2.gz DHNVIPXJQIJXCX-BDAKNGLRSA-N 1 2 286.332 -1.597 20 0 CAADLO CCC(=O)N[C@@H]1CC[N@@H+](CC(=O)NC(=O)NC)C[C@@H]1O ZINC001099604883 782819675 /nfs/dbraw/zinc/81/96/75/782819675.db2.gz DHNVIPXJQIJXCX-BDAKNGLRSA-N 1 2 286.332 -1.597 20 0 CAADLO NC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C(N)=O)C1 ZINC001099007044 782819738 /nfs/dbraw/zinc/81/97/38/782819738.db2.gz VSPRJCQZQVSLPU-CPCISQLKSA-N 1 2 254.290 -2.072 20 0 CAADLO NC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C(N)=O)C1 ZINC001099007044 782819742 /nfs/dbraw/zinc/81/97/42/782819742.db2.gz VSPRJCQZQVSLPU-CPCISQLKSA-N 1 2 254.290 -2.072 20 0 CAADLO CCC(=O)N[C@@H]1CC[N@H+](CC(=O)NC(=O)NC)C[C@H]1O ZINC001099604886 782819786 /nfs/dbraw/zinc/81/97/86/782819786.db2.gz DHNVIPXJQIJXCX-RKDXNWHRSA-N 1 2 286.332 -1.597 20 0 CAADLO CCC(=O)N[C@@H]1CC[N@@H+](CC(=O)NC(=O)NC)C[C@H]1O ZINC001099604886 782819791 /nfs/dbraw/zinc/81/97/91/782819791.db2.gz DHNVIPXJQIJXCX-RKDXNWHRSA-N 1 2 286.332 -1.597 20 0 CAADLO CCC(=O)N[C@H]1CC[N@H+](CC(=O)NC(N)=O)C[C@@H]1O ZINC001099605432 782819837 /nfs/dbraw/zinc/81/98/37/782819837.db2.gz XMYXRNQGMHWFRO-YUMQZZPRSA-N 1 2 272.305 -1.857 20 0 CAADLO CCC(=O)N[C@H]1CC[N@@H+](CC(=O)NC(N)=O)C[C@@H]1O ZINC001099605432 782819844 /nfs/dbraw/zinc/81/98/44/782819844.db2.gz XMYXRNQGMHWFRO-YUMQZZPRSA-N 1 2 272.305 -1.857 20 0 CAADLO CCn1nncc1C[N@@H+]1CC[C@H](NC(=O)COC)[C@H](O)C1 ZINC001099616364 782820923 /nfs/dbraw/zinc/82/09/23/782820923.db2.gz CYMBBUGUQROOJB-NWDGAFQWSA-N 1 2 297.359 -1.004 20 0 CAADLO CCn1nncc1C[N@H+]1CC[C@H](NC(=O)COC)[C@H](O)C1 ZINC001099616364 782820925 /nfs/dbraw/zinc/82/09/25/782820925.db2.gz CYMBBUGUQROOJB-NWDGAFQWSA-N 1 2 297.359 -1.004 20 0 CAADLO CCn1nncc1C[N@@H+]1CC[C@@H](NC(=O)COC)[C@H](O)C1 ZINC001099616367 782821414 /nfs/dbraw/zinc/82/14/14/782821414.db2.gz CYMBBUGUQROOJB-VXGBXAGGSA-N 1 2 297.359 -1.004 20 0 CAADLO CCn1nncc1C[N@H+]1CC[C@@H](NC(=O)COC)[C@H](O)C1 ZINC001099616367 782821419 /nfs/dbraw/zinc/82/14/19/782821419.db2.gz CYMBBUGUQROOJB-VXGBXAGGSA-N 1 2 297.359 -1.004 20 0 CAADLO CCOCCNC(=O)C[N@@H+]1CC[C@H](NC(C)=O)[C@H](O)C1 ZINC001099610941 782821928 /nfs/dbraw/zinc/82/19/28/782821928.db2.gz LPBXYTNSLGHISS-NWDGAFQWSA-N 1 2 287.360 -1.290 20 0 CAADLO CCOCCNC(=O)C[N@H+]1CC[C@H](NC(C)=O)[C@H](O)C1 ZINC001099610941 782821932 /nfs/dbraw/zinc/82/19/32/782821932.db2.gz LPBXYTNSLGHISS-NWDGAFQWSA-N 1 2 287.360 -1.290 20 0 CAADLO NC(=O)NC(=O)C[N@@H+]1CC[C@H](NC(=O)C2CCC2)[C@@H](O)C1 ZINC001099609741 782822136 /nfs/dbraw/zinc/82/21/36/782822136.db2.gz FEMDDTDWOQBIPV-UWVGGRQHSA-N 1 2 298.343 -1.467 20 0 CAADLO NC(=O)NC(=O)C[N@H+]1CC[C@H](NC(=O)C2CCC2)[C@@H](O)C1 ZINC001099609741 782822152 /nfs/dbraw/zinc/82/21/52/782822152.db2.gz FEMDDTDWOQBIPV-UWVGGRQHSA-N 1 2 298.343 -1.467 20 0 CAADLO NC(=O)NC(=O)C[N@@H+]1CC[C@H](NC(=O)C2CCC2)[C@H](O)C1 ZINC001099609742 782822450 /nfs/dbraw/zinc/82/24/50/782822450.db2.gz FEMDDTDWOQBIPV-VHSXEESVSA-N 1 2 298.343 -1.467 20 0 CAADLO NC(=O)NC(=O)C[N@H+]1CC[C@H](NC(=O)C2CCC2)[C@H](O)C1 ZINC001099609742 782822455 /nfs/dbraw/zinc/82/24/55/782822455.db2.gz FEMDDTDWOQBIPV-VHSXEESVSA-N 1 2 298.343 -1.467 20 0 CAADLO COCCC(=O)N[C@@H]1CC[N@H+](Cc2cnnn2C)C[C@@H]1O ZINC001099619649 782823191 /nfs/dbraw/zinc/82/31/91/782823191.db2.gz BXQCCGSJBIIKGG-NEPJUHHUSA-N 1 2 297.359 -1.097 20 0 CAADLO COCCC(=O)N[C@@H]1CC[N@@H+](Cc2cnnn2C)C[C@@H]1O ZINC001099619649 782823196 /nfs/dbraw/zinc/82/31/96/782823196.db2.gz BXQCCGSJBIIKGG-NEPJUHHUSA-N 1 2 297.359 -1.097 20 0 CAADLO CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CCOC)[C@H](O)C1 ZINC001099620611 782823308 /nfs/dbraw/zinc/82/33/08/782823308.db2.gz PUDLZZVKDAZNCW-WDEREUQCSA-N 1 2 287.360 -1.290 20 0 CAADLO CCNC(=O)C[N@H+]1CC[C@H](NC(=O)CCOC)[C@H](O)C1 ZINC001099620611 782823313 /nfs/dbraw/zinc/82/33/13/782823313.db2.gz PUDLZZVKDAZNCW-WDEREUQCSA-N 1 2 287.360 -1.290 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)CNC(C)=O)[C@H](O)C1 ZINC001099630875 782823768 /nfs/dbraw/zinc/82/37/68/782823768.db2.gz RESUQEOBRRAVQK-VHSXEESVSA-N 1 2 286.332 -2.580 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)CNC(C)=O)[C@H](O)C1 ZINC001099630875 782823775 /nfs/dbraw/zinc/82/37/75/782823775.db2.gz RESUQEOBRRAVQK-VHSXEESVSA-N 1 2 286.332 -2.580 20 0 CAADLO COCC(=O)N[C@H]1CC[N@H+](Cc2cnnn2C)C[C@@H]1O ZINC001099618443 782823858 /nfs/dbraw/zinc/82/38/58/782823858.db2.gz UPHUBRKHPCLVMW-QWRGUYRKSA-N 1 2 283.332 -1.487 20 0 CAADLO COCC(=O)N[C@H]1CC[N@@H+](Cc2cnnn2C)C[C@@H]1O ZINC001099618443 782823862 /nfs/dbraw/zinc/82/38/62/782823862.db2.gz UPHUBRKHPCLVMW-QWRGUYRKSA-N 1 2 283.332 -1.487 20 0 CAADLO CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CCOC)[C@@H](O)C1 ZINC001099620609 782823973 /nfs/dbraw/zinc/82/39/73/782823973.db2.gz PUDLZZVKDAZNCW-MNOVXSKESA-N 1 2 287.360 -1.290 20 0 CAADLO CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)CCOC)[C@@H](O)C1 ZINC001099620609 782823980 /nfs/dbraw/zinc/82/39/80/782823980.db2.gz PUDLZZVKDAZNCW-MNOVXSKESA-N 1 2 287.360 -1.290 20 0 CAADLO CSCCC(=O)N[C@H]1CC[N@H+](CC(N)=O)C[C@@H]1O ZINC001099656575 782825518 /nfs/dbraw/zinc/82/55/18/782825518.db2.gz HFZNFKFVRAPASU-IUCAKERBSA-N 1 2 275.374 -1.224 20 0 CAADLO CSCCC(=O)N[C@H]1CC[N@@H+](CC(N)=O)C[C@@H]1O ZINC001099656575 782825521 /nfs/dbraw/zinc/82/55/21/782825521.db2.gz HFZNFKFVRAPASU-IUCAKERBSA-N 1 2 275.374 -1.224 20 0 CAADLO CSCC(=O)N[C@@H]1CC[N@H+](CC(N)=O)C[C@H]1O ZINC001099654527 782825863 /nfs/dbraw/zinc/82/58/63/782825863.db2.gz OORUDJAQGMGXPB-HTQZYQBOSA-N 1 2 261.347 -1.614 20 0 CAADLO CSCC(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C[C@H]1O ZINC001099654527 782825869 /nfs/dbraw/zinc/82/58/69/782825869.db2.gz OORUDJAQGMGXPB-HTQZYQBOSA-N 1 2 261.347 -1.614 20 0 CAADLO CSCCC(=O)N[C@H]1CC[N@H+](CC(N)=O)C[C@H]1O ZINC001099656574 782825956 /nfs/dbraw/zinc/82/59/56/782825956.db2.gz HFZNFKFVRAPASU-DTWKUNHWSA-N 1 2 275.374 -1.224 20 0 CAADLO CSCCC(=O)N[C@H]1CC[N@@H+](CC(N)=O)C[C@H]1O ZINC001099656574 782825960 /nfs/dbraw/zinc/82/59/60/782825960.db2.gz HFZNFKFVRAPASU-DTWKUNHWSA-N 1 2 275.374 -1.224 20 0 CAADLO CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)COCC)[C@H](O)C1 ZINC001099647503 782826142 /nfs/dbraw/zinc/82/61/42/782826142.db2.gz FMXKKYMYCZFBAD-GHMZBOCLSA-N 1 2 287.360 -1.290 20 0 CAADLO CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)COCC)[C@H](O)C1 ZINC001099647503 782826147 /nfs/dbraw/zinc/82/61/47/782826147.db2.gz FMXKKYMYCZFBAD-GHMZBOCLSA-N 1 2 287.360 -1.290 20 0 CAADLO CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)COCC)[C@@H](O)C1 ZINC001099647504 782826457 /nfs/dbraw/zinc/82/64/57/782826457.db2.gz FMXKKYMYCZFBAD-MNOVXSKESA-N 1 2 287.360 -1.290 20 0 CAADLO CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)COCC)[C@@H](O)C1 ZINC001099647504 782826462 /nfs/dbraw/zinc/82/64/62/782826462.db2.gz FMXKKYMYCZFBAD-MNOVXSKESA-N 1 2 287.360 -1.290 20 0 CAADLO CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ccn[nH]2)[C@H](O)C1 ZINC001099674613 782826770 /nfs/dbraw/zinc/82/67/70/782826770.db2.gz CEESOBHHILDEQK-MWLCHTKSSA-N 1 2 295.343 -1.289 20 0 CAADLO CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2ccn[nH]2)[C@H](O)C1 ZINC001099674613 782826774 /nfs/dbraw/zinc/82/67/74/782826774.db2.gz CEESOBHHILDEQK-MWLCHTKSSA-N 1 2 295.343 -1.289 20 0 CAADLO CC(C)=CC(=O)N[C@@H]1CC[N@H+](CC(N)=O)C[C@H]1O ZINC001099661285 782826952 /nfs/dbraw/zinc/82/69/52/782826952.db2.gz XMJFRCKQJGOONM-NXEZZACHSA-N 1 2 255.318 -1.011 20 0 CAADLO CC(C)=CC(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C[C@H]1O ZINC001099661285 782826955 /nfs/dbraw/zinc/82/69/55/782826955.db2.gz XMJFRCKQJGOONM-NXEZZACHSA-N 1 2 255.318 -1.011 20 0 CAADLO CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ccn[nH]2)[C@@H](O)C1 ZINC001099674612 782827765 /nfs/dbraw/zinc/82/77/65/782827765.db2.gz CEESOBHHILDEQK-KOLCDFICSA-N 1 2 295.343 -1.289 20 0 CAADLO CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2ccn[nH]2)[C@@H](O)C1 ZINC001099674612 782827769 /nfs/dbraw/zinc/82/77/69/782827769.db2.gz CEESOBHHILDEQK-KOLCDFICSA-N 1 2 295.343 -1.289 20 0 CAADLO CCOCCCC(=O)N[C@H]1CC[N@H+](CC(N)=O)C[C@H]1O ZINC001099698730 782827815 /nfs/dbraw/zinc/82/78/15/782827815.db2.gz SWGDNFHRXXSYPJ-WDEREUQCSA-N 1 2 287.360 -1.160 20 0 CAADLO CCOCCCC(=O)N[C@H]1CC[N@@H+](CC(N)=O)C[C@H]1O ZINC001099698730 782827822 /nfs/dbraw/zinc/82/78/22/782827822.db2.gz SWGDNFHRXXSYPJ-WDEREUQCSA-N 1 2 287.360 -1.160 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)CNC(N)=O)[C@H](O)C1 ZINC001099665365 782828189 /nfs/dbraw/zinc/82/81/89/782828189.db2.gz FYRLUHYZHJULKX-RNFRBKRXSA-N 1 2 273.293 -3.309 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)CNC(N)=O)[C@H](O)C1 ZINC001099665365 782828197 /nfs/dbraw/zinc/82/81/97/782828197.db2.gz FYRLUHYZHJULKX-RNFRBKRXSA-N 1 2 273.293 -3.309 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)CCCOC)[C@H](O)C1 ZINC001099705341 782828873 /nfs/dbraw/zinc/82/88/73/782828873.db2.gz YSXDYSOAVMSWLI-WDEREUQCSA-N 1 2 287.360 -1.290 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)CCCOC)[C@H](O)C1 ZINC001099705341 782828878 /nfs/dbraw/zinc/82/88/78/782828878.db2.gz YSXDYSOAVMSWLI-WDEREUQCSA-N 1 2 287.360 -1.290 20 0 CAADLO CCOCCC(=O)N[C@H]1CC[N@H+](CC(=O)NC)C[C@@H]1O ZINC001099729772 782829305 /nfs/dbraw/zinc/82/93/05/782829305.db2.gz LRPPDIHTTJVWFM-QWRGUYRKSA-N 1 2 287.360 -1.290 20 0 CAADLO CCOCCC(=O)N[C@H]1CC[N@@H+](CC(=O)NC)C[C@@H]1O ZINC001099729772 782829310 /nfs/dbraw/zinc/82/93/10/782829310.db2.gz LRPPDIHTTJVWFM-QWRGUYRKSA-N 1 2 287.360 -1.290 20 0 CAADLO CCCOCC(=O)N[C@@H]1CC[N@H+](CC(=O)NC)C[C@H]1O ZINC001099716203 782829487 /nfs/dbraw/zinc/82/94/87/782829487.db2.gz RMLAILLFSZNUKG-GHMZBOCLSA-N 1 2 287.360 -1.290 20 0 CAADLO CCCOCC(=O)N[C@@H]1CC[N@@H+](CC(=O)NC)C[C@H]1O ZINC001099716203 782829491 /nfs/dbraw/zinc/82/94/91/782829491.db2.gz RMLAILLFSZNUKG-GHMZBOCLSA-N 1 2 287.360 -1.290 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)COC(C)C)[C@@H](O)C1 ZINC001099724453 782830303 /nfs/dbraw/zinc/83/03/03/782830303.db2.gz OFZLHIKIINBGKQ-QWRGUYRKSA-N 1 2 287.360 -1.291 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)COC(C)C)[C@@H](O)C1 ZINC001099724453 782830309 /nfs/dbraw/zinc/83/03/09/782830309.db2.gz OFZLHIKIINBGKQ-QWRGUYRKSA-N 1 2 287.360 -1.291 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)CC(F)(F)F)[C@@H](O)C1 ZINC001099711582 782830561 /nfs/dbraw/zinc/83/05/61/782830561.db2.gz BQINYAFLLTYNHM-RQJHMYQMSA-N 1 2 283.250 -1.025 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)CC(F)(F)F)[C@@H](O)C1 ZINC001099711582 782830569 /nfs/dbraw/zinc/83/05/69/782830569.db2.gz BQINYAFLLTYNHM-RQJHMYQMSA-N 1 2 283.250 -1.025 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CC(N)=O)[C@H](O)C1 ZINC001099743870 782831305 /nfs/dbraw/zinc/83/13/05/782831305.db2.gz QEFFZGWAYONNCU-HTQZYQBOSA-N 1 2 272.305 -2.841 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)CC(N)=O)[C@H](O)C1 ZINC001099743870 782831309 /nfs/dbraw/zinc/83/13/09/782831309.db2.gz QEFFZGWAYONNCU-HTQZYQBOSA-N 1 2 272.305 -2.841 20 0 CAADLO CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cocn2)[C@H](O)C1 ZINC001099738950 782831528 /nfs/dbraw/zinc/83/15/28/782831528.db2.gz VASDIZIOKGTPDL-GXSJLCMTSA-N 1 2 296.327 -1.024 20 0 CAADLO CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cocn2)[C@H](O)C1 ZINC001099738950 782831532 /nfs/dbraw/zinc/83/15/32/782831532.db2.gz VASDIZIOKGTPDL-GXSJLCMTSA-N 1 2 296.327 -1.024 20 0 CAADLO COCCOCC(=O)N[C@H]1CC[N@H+](CC(N)=O)C[C@H]1O ZINC001099747104 782831550 /nfs/dbraw/zinc/83/15/50/782831550.db2.gz TWCLVCCYNMRWOG-VHSXEESVSA-N 1 2 289.332 -2.314 20 0 CAADLO COCCOCC(=O)N[C@H]1CC[N@@H+](CC(N)=O)C[C@H]1O ZINC001099747104 782831560 /nfs/dbraw/zinc/83/15/60/782831560.db2.gz TWCLVCCYNMRWOG-VHSXEESVSA-N 1 2 289.332 -2.314 20 0 CAADLO CCC(=O)NCC(=O)N[C@H]1CC[N@H+](CC(N)=O)C[C@@H]1O ZINC001099738768 782831625 /nfs/dbraw/zinc/83/16/25/782831625.db2.gz SGJZOYCYORIZEJ-IUCAKERBSA-N 1 2 286.332 -2.451 20 0 CAADLO CCC(=O)NCC(=O)N[C@H]1CC[N@@H+](CC(N)=O)C[C@@H]1O ZINC001099738768 782831631 /nfs/dbraw/zinc/83/16/31/782831631.db2.gz SGJZOYCYORIZEJ-IUCAKERBSA-N 1 2 286.332 -2.451 20 0 CAADLO CCC(=O)NCC(=O)N[C@@H]1CC[N@H+](CC(N)=O)C[C@@H]1O ZINC001099738766 782831891 /nfs/dbraw/zinc/83/18/91/782831891.db2.gz SGJZOYCYORIZEJ-BDAKNGLRSA-N 1 2 286.332 -2.451 20 0 CAADLO CCC(=O)NCC(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C[C@@H]1O ZINC001099738766 782831900 /nfs/dbraw/zinc/83/19/00/782831900.db2.gz SGJZOYCYORIZEJ-BDAKNGLRSA-N 1 2 286.332 -2.451 20 0 CAADLO CCC(=O)NCC(=O)N[C@@H]1CC[N@H+](CC(N)=O)C[C@H]1O ZINC001099738769 782832423 /nfs/dbraw/zinc/83/24/23/782832423.db2.gz SGJZOYCYORIZEJ-RKDXNWHRSA-N 1 2 286.332 -2.451 20 0 CAADLO CCC(=O)NCC(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C[C@H]1O ZINC001099738769 782832427 /nfs/dbraw/zinc/83/24/27/782832427.db2.gz SGJZOYCYORIZEJ-RKDXNWHRSA-N 1 2 286.332 -2.451 20 0 CAADLO CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cocn2)[C@@H](O)C1 ZINC001099738951 782832513 /nfs/dbraw/zinc/83/25/13/782832513.db2.gz VASDIZIOKGTPDL-KOLCDFICSA-N 1 2 296.327 -1.024 20 0 CAADLO CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cocn2)[C@@H](O)C1 ZINC001099738951 782832516 /nfs/dbraw/zinc/83/25/16/782832516.db2.gz VASDIZIOKGTPDL-KOLCDFICSA-N 1 2 296.327 -1.024 20 0 CAADLO Cn1ccc(C[N@@H+]2CC[C@@H](NC(=O)CC(N)=O)[C@@H](O)C2)n1 ZINC001099757596 782832872 /nfs/dbraw/zinc/83/28/72/782832872.db2.gz GYZAGDSRMFEHJZ-MNOVXSKESA-N 1 2 295.343 -1.653 20 0 CAADLO Cn1ccc(C[N@H+]2CC[C@@H](NC(=O)CC(N)=O)[C@@H](O)C2)n1 ZINC001099757596 782832877 /nfs/dbraw/zinc/83/28/77/782832877.db2.gz GYZAGDSRMFEHJZ-MNOVXSKESA-N 1 2 295.343 -1.653 20 0 CAADLO Cn1nncc1C[N@@H+]1CC[C@H](NC(=O)CC(N)=O)[C@@H](O)C1 ZINC001099757392 782833674 /nfs/dbraw/zinc/83/36/74/782833674.db2.gz DUBFXMVEDOINDN-UWVGGRQHSA-N 1 2 296.331 -2.258 20 0 CAADLO Cn1nncc1C[N@H+]1CC[C@H](NC(=O)CC(N)=O)[C@@H](O)C1 ZINC001099757392 782833681 /nfs/dbraw/zinc/83/36/81/782833681.db2.gz DUBFXMVEDOINDN-UWVGGRQHSA-N 1 2 296.331 -2.258 20 0 CAADLO CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CC(N)=O)[C@@H](O)C1 ZINC001099758054 782833734 /nfs/dbraw/zinc/83/37/34/782833734.db2.gz NTFIZDNTOZWQPM-BDAKNGLRSA-N 1 2 286.332 -2.451 20 0 CAADLO CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)CC(N)=O)[C@@H](O)C1 ZINC001099758054 782833744 /nfs/dbraw/zinc/83/37/44/782833744.db2.gz NTFIZDNTOZWQPM-BDAKNGLRSA-N 1 2 286.332 -2.451 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)/C=C/C2CC2)[C@@H](O)C1 ZINC001099769816 782834752 /nfs/dbraw/zinc/83/47/52/782834752.db2.gz YNMKWPFQGGIPKN-SEUFLZDSSA-N 1 2 267.329 -1.011 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)/C=C/C2CC2)[C@@H](O)C1 ZINC001099769816 782834759 /nfs/dbraw/zinc/83/47/59/782834759.db2.gz YNMKWPFQGGIPKN-SEUFLZDSSA-N 1 2 267.329 -1.011 20 0 CAADLO C/C=C(\C)C(=O)N[C@@H]1CC[N@H+](CC(=O)NC(N)=O)C[C@H]1O ZINC001099771357 782834782 /nfs/dbraw/zinc/83/47/82/782834782.db2.gz FVSFKVMCKBWQRR-ZCFALZCBSA-N 1 2 298.343 -1.301 20 0 CAADLO C/C=C(\C)C(=O)N[C@@H]1CC[N@@H+](CC(=O)NC(N)=O)C[C@H]1O ZINC001099771357 782834785 /nfs/dbraw/zinc/83/47/85/782834785.db2.gz FVSFKVMCKBWQRR-ZCFALZCBSA-N 1 2 298.343 -1.301 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)/C=C/C2CC2)[C@H](O)C1 ZINC001099769815 782834958 /nfs/dbraw/zinc/83/49/58/782834958.db2.gz YNMKWPFQGGIPKN-MJKAUQOVSA-N 1 2 267.329 -1.011 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)/C=C/C2CC2)[C@H](O)C1 ZINC001099769815 782834966 /nfs/dbraw/zinc/83/49/66/782834966.db2.gz YNMKWPFQGGIPKN-MJKAUQOVSA-N 1 2 267.329 -1.011 20 0 CAADLO C/C=C(\C)C(=O)N[C@@H]1CC[N@H+](CC(=O)NC(N)=O)C[C@@H]1O ZINC001099771356 782835289 /nfs/dbraw/zinc/83/52/89/782835289.db2.gz FVSFKVMCKBWQRR-UNLJNPQMSA-N 1 2 298.343 -1.301 20 0 CAADLO C/C=C(\C)C(=O)N[C@@H]1CC[N@@H+](CC(=O)NC(N)=O)C[C@@H]1O ZINC001099771356 782835296 /nfs/dbraw/zinc/83/52/96/782835296.db2.gz FVSFKVMCKBWQRR-UNLJNPQMSA-N 1 2 298.343 -1.301 20 0 CAADLO C/C=C(/C)C(=O)N[C@@H]1CC[N@H+](CC(N)=O)C[C@@H]1O ZINC001099771067 782835308 /nfs/dbraw/zinc/83/53/08/782835308.db2.gz BGVAOYMPURXNEG-IVIAJXKQSA-N 1 2 255.318 -1.011 20 0 CAADLO C/C=C(/C)C(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C[C@@H]1O ZINC001099771067 782835312 /nfs/dbraw/zinc/83/53/12/782835312.db2.gz BGVAOYMPURXNEG-IVIAJXKQSA-N 1 2 255.318 -1.011 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)/C=C\C2CC2)[C@H](O)C1 ZINC001099769814 782835410 /nfs/dbraw/zinc/83/54/10/782835410.db2.gz YNMKWPFQGGIPKN-CBZSPVTBSA-N 1 2 267.329 -1.011 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)/C=C\C2CC2)[C@H](O)C1 ZINC001099769814 782835412 /nfs/dbraw/zinc/83/54/12/782835412.db2.gz YNMKWPFQGGIPKN-CBZSPVTBSA-N 1 2 267.329 -1.011 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)CCOCC2CC2)[C@@H](O)C1 ZINC001099836090 782840248 /nfs/dbraw/zinc/84/02/48/782840248.db2.gz VAIDKDNGPYIUTO-NEPJUHHUSA-N 1 2 299.371 -1.160 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)CCOCC2CC2)[C@@H](O)C1 ZINC001099836090 782840253 /nfs/dbraw/zinc/84/02/53/782840253.db2.gz VAIDKDNGPYIUTO-NEPJUHHUSA-N 1 2 299.371 -1.160 20 0 CAADLO CCNC(=O)CC(=O)N[C@H]1CC[N@H+](CC(N)=O)C[C@H]1O ZINC001099796941 782837460 /nfs/dbraw/zinc/83/74/60/782837460.db2.gz LMXLUCYKJDFATN-DTWKUNHWSA-N 1 2 286.332 -2.451 20 0 CAADLO CCNC(=O)CC(=O)N[C@H]1CC[N@@H+](CC(N)=O)C[C@H]1O ZINC001099796941 782837468 /nfs/dbraw/zinc/83/74/68/782837468.db2.gz LMXLUCYKJDFATN-DTWKUNHWSA-N 1 2 286.332 -2.451 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)CCn2ccnn2)[C@@H](O)C1 ZINC001099798763 782837867 /nfs/dbraw/zinc/83/78/67/782837867.db2.gz BWTGNIYSKCVJTR-UWVGGRQHSA-N 1 2 296.331 -2.295 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)CCn2ccnn2)[C@@H](O)C1 ZINC001099798763 782837871 /nfs/dbraw/zinc/83/78/71/782837871.db2.gz BWTGNIYSKCVJTR-UWVGGRQHSA-N 1 2 296.331 -2.295 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)CCn2ccnn2)[C@@H](O)C1 ZINC001099798765 782838010 /nfs/dbraw/zinc/83/80/10/782838010.db2.gz BWTGNIYSKCVJTR-ZJUUUORDSA-N 1 2 296.331 -2.295 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)CCn2ccnn2)[C@@H](O)C1 ZINC001099798765 782838013 /nfs/dbraw/zinc/83/80/13/782838013.db2.gz BWTGNIYSKCVJTR-ZJUUUORDSA-N 1 2 296.331 -2.295 20 0 CAADLO CNC(=O)CC(=O)N[C@H]1CC[N@H+](CC(N)=O)C[C@@H]1O ZINC001099792769 782838416 /nfs/dbraw/zinc/83/84/16/782838416.db2.gz ZEBVQELIOKXNGM-YUMQZZPRSA-N 1 2 272.305 -2.841 20 0 CAADLO CNC(=O)CC(=O)N[C@H]1CC[N@@H+](CC(N)=O)C[C@@H]1O ZINC001099792769 782838423 /nfs/dbraw/zinc/83/84/23/782838423.db2.gz ZEBVQELIOKXNGM-YUMQZZPRSA-N 1 2 272.305 -2.841 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)CCn2ccnn2)[C@H](O)C1 ZINC001099798764 782838666 /nfs/dbraw/zinc/83/86/66/782838666.db2.gz BWTGNIYSKCVJTR-VHSXEESVSA-N 1 2 296.331 -2.295 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)CCn2ccnn2)[C@H](O)C1 ZINC001099798764 782838673 /nfs/dbraw/zinc/83/86/73/782838673.db2.gz BWTGNIYSKCVJTR-VHSXEESVSA-N 1 2 296.331 -2.295 20 0 CAADLO CC1(C(=O)N[C@H]2CC[N@H+](CC(=O)NC(N)=O)C[C@@H]2O)CC1 ZINC001099840886 782839167 /nfs/dbraw/zinc/83/91/67/782839167.db2.gz GKIUGBGALXKZCQ-IUCAKERBSA-N 1 2 298.343 -1.467 20 0 CAADLO CC1(C(=O)N[C@H]2CC[N@@H+](CC(=O)NC(N)=O)C[C@@H]2O)CC1 ZINC001099840886 782839169 /nfs/dbraw/zinc/83/91/69/782839169.db2.gz GKIUGBGALXKZCQ-IUCAKERBSA-N 1 2 298.343 -1.467 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)CC2(O)CCC2)[C@@H](O)C1 ZINC001099823897 782839339 /nfs/dbraw/zinc/83/93/39/782839339.db2.gz LMPBLENZHBQMID-UWVGGRQHSA-N 1 2 285.344 -1.672 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)CC2(O)CCC2)[C@@H](O)C1 ZINC001099823897 782839346 /nfs/dbraw/zinc/83/93/46/782839346.db2.gz LMPBLENZHBQMID-UWVGGRQHSA-N 1 2 285.344 -1.672 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)CCOCC2CC2)[C@@H](O)C1 ZINC001099836092 782839380 /nfs/dbraw/zinc/83/93/80/782839380.db2.gz VAIDKDNGPYIUTO-RYUDHWBXSA-N 1 2 299.371 -1.160 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)CCOCC2CC2)[C@@H](O)C1 ZINC001099836092 782839385 /nfs/dbraw/zinc/83/93/85/782839385.db2.gz VAIDKDNGPYIUTO-RYUDHWBXSA-N 1 2 299.371 -1.160 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)CCOCC2CC2)[C@H](O)C1 ZINC001099836093 782839613 /nfs/dbraw/zinc/83/96/13/782839613.db2.gz VAIDKDNGPYIUTO-VXGBXAGGSA-N 1 2 299.371 -1.160 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)CCOCC2CC2)[C@H](O)C1 ZINC001099836093 782839617 /nfs/dbraw/zinc/83/96/17/782839617.db2.gz VAIDKDNGPYIUTO-VXGBXAGGSA-N 1 2 299.371 -1.160 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)CC2(O)CCC2)[C@@H](O)C1 ZINC001099823899 782839730 /nfs/dbraw/zinc/83/97/30/782839730.db2.gz LMPBLENZHBQMID-ZJUUUORDSA-N 1 2 285.344 -1.672 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)CC2(O)CCC2)[C@@H](O)C1 ZINC001099823899 782839734 /nfs/dbraw/zinc/83/97/34/782839734.db2.gz LMPBLENZHBQMID-ZJUUUORDSA-N 1 2 285.344 -1.672 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)C2(COC)CC2)[C@H](O)C1 ZINC001099916708 782842732 /nfs/dbraw/zinc/84/27/32/782842732.db2.gz RKIRAGGRJKPIPT-WDEREUQCSA-N 1 2 299.371 -1.290 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)C2(COC)CC2)[C@H](O)C1 ZINC001099916708 782842738 /nfs/dbraw/zinc/84/27/38/782842738.db2.gz RKIRAGGRJKPIPT-WDEREUQCSA-N 1 2 299.371 -1.290 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)C2(CF)CC2)[C@@H](O)C1 ZINC001100006145 782847212 /nfs/dbraw/zinc/84/72/12/782847212.db2.gz NESBCFXYNSQJAQ-IUCAKERBSA-N 1 2 273.308 -1.227 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)C2(CF)CC2)[C@@H](O)C1 ZINC001100006145 782847219 /nfs/dbraw/zinc/84/72/19/782847219.db2.gz NESBCFXYNSQJAQ-IUCAKERBSA-N 1 2 273.308 -1.227 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)CCc2ccon2)[C@@H](O)C1 ZINC001099924741 782842828 /nfs/dbraw/zinc/84/28/28/782842828.db2.gz ZMLPYSOLYJRYRW-MNOVXSKESA-N 1 2 296.327 -1.356 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)CCc2ccon2)[C@@H](O)C1 ZINC001099924741 782842838 /nfs/dbraw/zinc/84/28/38/782842838.db2.gz ZMLPYSOLYJRYRW-MNOVXSKESA-N 1 2 296.327 -1.356 20 0 CAADLO CS(=O)(=O)CCC(=O)N[C@@H]1CC[N@H+](CCO)C[C@H]1O ZINC001099894744 782842927 /nfs/dbraw/zinc/84/29/27/782842927.db2.gz PIPLPBUOHILHLF-NXEZZACHSA-N 1 2 294.373 -2.035 20 0 CAADLO CS(=O)(=O)CCC(=O)N[C@@H]1CC[N@@H+](CCO)C[C@H]1O ZINC001099894744 782842933 /nfs/dbraw/zinc/84/29/33/782842933.db2.gz PIPLPBUOHILHLF-NXEZZACHSA-N 1 2 294.373 -2.035 20 0 CAADLO CCOCC1(C(=O)N[C@H]2CC[N@H+](CC(N)=O)C[C@H]2O)CC1 ZINC001099897185 782843056 /nfs/dbraw/zinc/84/30/56/782843056.db2.gz RNJWXXODVHSBMJ-WDEREUQCSA-N 1 2 299.371 -1.160 20 0 CAADLO CCOCC1(C(=O)N[C@H]2CC[N@@H+](CC(N)=O)C[C@H]2O)CC1 ZINC001099897185 782843059 /nfs/dbraw/zinc/84/30/59/782843059.db2.gz RNJWXXODVHSBMJ-WDEREUQCSA-N 1 2 299.371 -1.160 20 0 CAADLO CCOCC1(C(=O)N[C@H]2CC[N@H+](CC(N)=O)C[C@@H]2O)CC1 ZINC001099897184 782843092 /nfs/dbraw/zinc/84/30/92/782843092.db2.gz RNJWXXODVHSBMJ-QWRGUYRKSA-N 1 2 299.371 -1.160 20 0 CAADLO CCOCC1(C(=O)N[C@H]2CC[N@@H+](CC(N)=O)C[C@@H]2O)CC1 ZINC001099897184 782843096 /nfs/dbraw/zinc/84/30/96/782843096.db2.gz RNJWXXODVHSBMJ-QWRGUYRKSA-N 1 2 299.371 -1.160 20 0 CAADLO CS(=O)(=O)CCC(=O)N[C@H]1CC[N@H+](CCO)C[C@@H]1O ZINC001099894745 782843373 /nfs/dbraw/zinc/84/33/73/782843373.db2.gz PIPLPBUOHILHLF-UWVGGRQHSA-N 1 2 294.373 -2.035 20 0 CAADLO CS(=O)(=O)CCC(=O)N[C@H]1CC[N@@H+](CCO)C[C@@H]1O ZINC001099894745 782843378 /nfs/dbraw/zinc/84/33/78/782843378.db2.gz PIPLPBUOHILHLF-UWVGGRQHSA-N 1 2 294.373 -2.035 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C2(COC)CC2)[C@H](O)C1 ZINC001099916705 782843480 /nfs/dbraw/zinc/84/34/80/782843480.db2.gz RKIRAGGRJKPIPT-GHMZBOCLSA-N 1 2 299.371 -1.290 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)C2(COC)CC2)[C@H](O)C1 ZINC001099916705 782843485 /nfs/dbraw/zinc/84/34/85/782843485.db2.gz RKIRAGGRJKPIPT-GHMZBOCLSA-N 1 2 299.371 -1.290 20 0 CAADLO NC(=O)CN1CC[C@@H](NC(=O)CCn2cc[nH+]c2)[C@H](O)C1 ZINC001099939765 782844668 /nfs/dbraw/zinc/84/46/68/782844668.db2.gz LKROSNCWKFNAIC-GHMZBOCLSA-N 1 2 295.343 -1.690 20 0 CAADLO CCCNC(=O)C[N@@H+]1CC[C@H](NC(=O)C(N)=O)[C@@H](O)C1 ZINC001099971545 782845453 /nfs/dbraw/zinc/84/54/53/782845453.db2.gz JJZMTRGTLOSLMA-IUCAKERBSA-N 1 2 286.332 -2.451 20 0 CAADLO CCCNC(=O)C[N@H+]1CC[C@H](NC(=O)C(N)=O)[C@@H](O)C1 ZINC001099971545 782845459 /nfs/dbraw/zinc/84/54/59/782845459.db2.gz JJZMTRGTLOSLMA-IUCAKERBSA-N 1 2 286.332 -2.451 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)CCCF)[C@H](O)C1 ZINC001099955710 782845659 /nfs/dbraw/zinc/84/56/59/782845659.db2.gz YEMAMDJRYYGPKH-RKDXNWHRSA-N 1 2 261.297 -1.227 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)CCCF)[C@H](O)C1 ZINC001099955710 782845667 /nfs/dbraw/zinc/84/56/67/782845667.db2.gz YEMAMDJRYYGPKH-RKDXNWHRSA-N 1 2 261.297 -1.227 20 0 CAADLO CN(C)C(=O)CC(=O)N[C@H]1CC[N@H+](CC(N)=O)C[C@H]1O ZINC001100026894 782847360 /nfs/dbraw/zinc/84/73/60/782847360.db2.gz JORIRPITDBCGGI-DTWKUNHWSA-N 1 2 286.332 -2.499 20 0 CAADLO CN(C)C(=O)CC(=O)N[C@H]1CC[N@@H+](CC(N)=O)C[C@H]1O ZINC001100026894 782847367 /nfs/dbraw/zinc/84/73/67/782847367.db2.gz JORIRPITDBCGGI-DTWKUNHWSA-N 1 2 286.332 -2.499 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)CCCF)[C@@H](O)C1 ZINC001099955709 782845916 /nfs/dbraw/zinc/84/59/16/782845916.db2.gz YEMAMDJRYYGPKH-IUCAKERBSA-N 1 2 261.297 -1.227 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)CCCF)[C@@H](O)C1 ZINC001099955709 782845922 /nfs/dbraw/zinc/84/59/22/782845922.db2.gz YEMAMDJRYYGPKH-IUCAKERBSA-N 1 2 261.297 -1.227 20 0 CAADLO NC(=O)C(=O)N[C@H]1CC[N@H+](CC(=O)NCC2CC2)C[C@@H]1O ZINC001099979127 782847595 /nfs/dbraw/zinc/84/75/95/782847595.db2.gz PRQYEMXPAQUEKU-UWVGGRQHSA-N 1 2 298.343 -2.451 20 0 CAADLO NC(=O)C(=O)N[C@H]1CC[N@@H+](CC(=O)NCC2CC2)C[C@@H]1O ZINC001099979127 782847599 /nfs/dbraw/zinc/84/75/99/782847599.db2.gz PRQYEMXPAQUEKU-UWVGGRQHSA-N 1 2 298.343 -2.451 20 0 CAADLO NC(=O)C(=O)N[C@@H]1CC[N@H+](CC(=O)NCC2CC2)C[C@@H]1O ZINC001099979129 782847936 /nfs/dbraw/zinc/84/79/36/782847936.db2.gz PRQYEMXPAQUEKU-ZJUUUORDSA-N 1 2 298.343 -2.451 20 0 CAADLO NC(=O)C(=O)N[C@@H]1CC[N@@H+](CC(=O)NCC2CC2)C[C@@H]1O ZINC001099979129 782847941 /nfs/dbraw/zinc/84/79/41/782847941.db2.gz PRQYEMXPAQUEKU-ZJUUUORDSA-N 1 2 298.343 -2.451 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)CCn2cccc2)[C@H](O)C1 ZINC001100051334 782848632 /nfs/dbraw/zinc/84/86/32/782848632.db2.gz WCDGYUPNTWTKMB-NWDGAFQWSA-N 1 2 294.355 -1.085 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)CCn2cccc2)[C@H](O)C1 ZINC001100051334 782848635 /nfs/dbraw/zinc/84/86/35/782848635.db2.gz WCDGYUPNTWTKMB-NWDGAFQWSA-N 1 2 294.355 -1.085 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)CCn2cccc2)[C@@H](O)C1 ZINC001100051333 782849750 /nfs/dbraw/zinc/84/97/50/782849750.db2.gz WCDGYUPNTWTKMB-NEPJUHHUSA-N 1 2 294.355 -1.085 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)CCn2cccc2)[C@@H](O)C1 ZINC001100051333 782849757 /nfs/dbraw/zinc/84/97/57/782849757.db2.gz WCDGYUPNTWTKMB-NEPJUHHUSA-N 1 2 294.355 -1.085 20 0 CAADLO NC(=O)CCCC(=O)N[C@@H]1CC[N@H+](CC(N)=O)C[C@@H]1O ZINC001100142572 782853242 /nfs/dbraw/zinc/85/32/42/782853242.db2.gz FHFWWROXULQRHK-BDAKNGLRSA-N 1 2 286.332 -2.321 20 0 CAADLO NC(=O)CCCC(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C[C@@H]1O ZINC001100142572 782853248 /nfs/dbraw/zinc/85/32/48/782853248.db2.gz FHFWWROXULQRHK-BDAKNGLRSA-N 1 2 286.332 -2.321 20 0 CAADLO CCN(CCNC(=O)C(N)=O)c1[nH+]cnc2c1cnn2C ZINC001100706097 782861311 /nfs/dbraw/zinc/86/13/11/782861311.db2.gz NDKFOXKIFFFDGA-UHFFFAOYSA-N 1 2 291.315 -1.209 20 0 CAADLO C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1CNC(=O)CS(C)(=O)=O ZINC001101783060 782866586 /nfs/dbraw/zinc/86/65/86/782866586.db2.gz DSDNNNGUWYQVBJ-RKDXNWHRSA-N 1 2 291.373 -1.800 20 0 CAADLO C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1CNC(=O)CS(C)(=O)=O ZINC001101783060 782866594 /nfs/dbraw/zinc/86/65/94/782866594.db2.gz DSDNNNGUWYQVBJ-RKDXNWHRSA-N 1 2 291.373 -1.800 20 0 CAADLO C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1CNC(=O)CCc1cnn[nH]1 ZINC001102383826 782872055 /nfs/dbraw/zinc/87/20/55/782872055.db2.gz UPFYQKPWEYKLGM-NXEZZACHSA-N 1 2 294.359 -1.093 20 0 CAADLO C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1CNC(=O)CCc1cnn[nH]1 ZINC001102383826 782872064 /nfs/dbraw/zinc/87/20/64/782872064.db2.gz UPFYQKPWEYKLGM-NXEZZACHSA-N 1 2 294.359 -1.093 20 0 CAADLO CCCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1nnc[nH]1 ZINC001114989103 782877412 /nfs/dbraw/zinc/87/74/12/782877412.db2.gz OJIDDEUUSUALMR-JZYVYDRUSA-N 1 2 292.343 -1.009 20 0 CAADLO CCCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1nnc[nH]1 ZINC001114989103 782877414 /nfs/dbraw/zinc/87/74/14/782877414.db2.gz OJIDDEUUSUALMR-JZYVYDRUSA-N 1 2 292.343 -1.009 20 0 CAADLO CCCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ncn[nH]1 ZINC001114989103 782877419 /nfs/dbraw/zinc/87/74/19/782877419.db2.gz OJIDDEUUSUALMR-JZYVYDRUSA-N 1 2 292.343 -1.009 20 0 CAADLO CCCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ncn[nH]1 ZINC001114989103 782877426 /nfs/dbraw/zinc/87/74/26/782877426.db2.gz OJIDDEUUSUALMR-JZYVYDRUSA-N 1 2 292.343 -1.009 20 0 CAADLO C[C@H](C(=O)N(CC(N)=O)CC(N)=O)n1cc[nH+]c1 ZINC001116053752 782886124 /nfs/dbraw/zinc/88/61/24/782886124.db2.gz VEWOCSFPDFBDIR-SSDOTTSWSA-N 1 2 253.262 -1.757 20 0 CAADLO C[C@@H](NC(=O)CN1C(=O)CNC1=O)[C@@H](C)[NH+]1CCOCC1 ZINC001115997152 782884668 /nfs/dbraw/zinc/88/46/68/782884668.db2.gz NKDLZVASSWIUJD-NXEZZACHSA-N 1 2 298.343 -1.236 20 0 CAADLO C[C@@H](C(=O)N(CC(N)=O)CC(N)=O)n1cc[nH+]c1 ZINC001116053753 782885834 /nfs/dbraw/zinc/88/58/34/782885834.db2.gz VEWOCSFPDFBDIR-ZETCQYMHSA-N 1 2 253.262 -1.757 20 0 CAADLO O=C1NC[C@H]2C[N@H+](CCn3cncn3)CCN2C1=O ZINC001116339286 782893868 /nfs/dbraw/zinc/89/38/68/782893868.db2.gz AIHOZPATCVYHHH-VIFPVBQESA-N 1 2 264.289 -2.079 20 0 CAADLO O=C1NC[C@H]2C[N@@H+](CCn3cncn3)CCN2C1=O ZINC001116339286 782893875 /nfs/dbraw/zinc/89/38/75/782893875.db2.gz AIHOZPATCVYHHH-VIFPVBQESA-N 1 2 264.289 -2.079 20 0 CAADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)c1nc[nH]n1 ZINC001116331836 782893883 /nfs/dbraw/zinc/89/38/83/782893883.db2.gz YKAOZSBNGOIASS-SECBINFHSA-N 1 2 269.305 -1.430 20 0 CAADLO COCC1(O)CC[NH+](CN2C(=O)C(=O)N(C)C2=O)CC1 ZINC001116388535 782895702 /nfs/dbraw/zinc/89/57/02/782895702.db2.gz QGLYETGIDYNOSK-UHFFFAOYSA-N 1 2 285.300 -1.162 20 0 CAADLO C[C@@H](NC(=O)C[C@@H]1NC(=O)NC1=O)[C@@H](C)[NH+]1CCOCC1 ZINC001116415333 782896362 /nfs/dbraw/zinc/89/63/62/782896362.db2.gz PZAUWIGHFRKWRV-BBBLOLIVSA-N 1 2 298.343 -1.190 20 0 CAADLO CON(C)C(=O)C[NH+]1CCC(S(N)(=O)=O)CC1 ZINC001116476854 782899112 /nfs/dbraw/zinc/89/91/12/782899112.db2.gz IYMYTHHSMVJTGN-UHFFFAOYSA-N 1 2 265.335 -1.241 20 0 CAADLO Cn1c[nH+]cc1CCNC(=O)CN1C(=O)C(=O)N(C)C1=O ZINC001116670027 782905980 /nfs/dbraw/zinc/90/59/80/782905980.db2.gz UDUMWVWNNCRZCU-UHFFFAOYSA-N 1 2 293.283 -1.501 20 0 CAADLO O=C(Nc1ccon1)C(=O)N1CC[NH+](CCO)CC1 ZINC001116561667 782902174 /nfs/dbraw/zinc/90/21/74/782902174.db2.gz GQQTZXGSQHOVTR-UHFFFAOYSA-N 1 2 268.273 -1.250 20 0 CAADLO Cn1c[nH+]cc1CC(=O)N1CCO[C@H](C(N)=O)C1 ZINC001116656531 782905855 /nfs/dbraw/zinc/90/58/55/782905855.db2.gz LROWFPLMMSMRLP-VIFPVBQESA-N 1 2 252.274 -1.325 20 0 CAADLO CCC(=O)NCC(=O)N[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001266311181 775111549 /nfs/dbraw/zinc/11/15/49/775111549.db2.gz SPMBOGXXYJLPGR-MRVPVSSYSA-N 1 2 256.306 -1.812 20 0 CAADLO CCC(=O)NCC(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001266311181 775111555 /nfs/dbraw/zinc/11/15/55/775111555.db2.gz SPMBOGXXYJLPGR-MRVPVSSYSA-N 1 2 256.306 -1.812 20 0 CAADLO CC(C)[C@H](CO)NC(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000705770918 775128446 /nfs/dbraw/zinc/12/84/46/775128446.db2.gz YYWLTUMRQNFMBA-UWVGGRQHSA-N 1 2 257.334 -1.060 20 0 CAADLO C[N@H+](CCNC(=O)[C@@H]1CCNC(=O)C1)CC(N)=O ZINC001266267484 775100896 /nfs/dbraw/zinc/10/08/96/775100896.db2.gz FQTZKJISMXILEK-MRVPVSSYSA-N 1 2 256.306 -1.954 20 0 CAADLO C[N@@H+](CCNC(=O)[C@@H]1CCNC(=O)C1)CC(N)=O ZINC001266267484 775100901 /nfs/dbraw/zinc/10/09/01/775100901.db2.gz FQTZKJISMXILEK-MRVPVSSYSA-N 1 2 256.306 -1.954 20 0 CAADLO CCNC(=O)CCC(=O)NCC[N@H+](C)CC(N)=O ZINC001266262764 775101466 /nfs/dbraw/zinc/10/14/66/775101466.db2.gz UDLVASNMQFYSHW-UHFFFAOYSA-N 1 2 258.322 -1.564 20 0 CAADLO CCNC(=O)CCC(=O)NCC[N@@H+](C)CC(N)=O ZINC001266262764 775101469 /nfs/dbraw/zinc/10/14/69/775101469.db2.gz UDLVASNMQFYSHW-UHFFFAOYSA-N 1 2 258.322 -1.564 20 0 CAADLO CCNC(=O)C[N@H+](C)CCNC(=O)c1cnnn1C ZINC001266272438 775102954 /nfs/dbraw/zinc/10/29/54/775102954.db2.gz WNUUFBUKPNIGGQ-UHFFFAOYSA-N 1 2 268.321 -1.387 20 0 CAADLO CCNC(=O)C[N@@H+](C)CCNC(=O)c1cnnn1C ZINC001266272438 775102959 /nfs/dbraw/zinc/10/29/59/775102959.db2.gz WNUUFBUKPNIGGQ-UHFFFAOYSA-N 1 2 268.321 -1.387 20 0 CAADLO CCNC(=O)C[N@H+](C)CCNC(=O)C[C@@H]1NC(=O)NC1=O ZINC001266282851 775104575 /nfs/dbraw/zinc/10/45/75/775104575.db2.gz URAWSWMJEFYDAU-QMMMGPOBSA-N 1 2 299.331 -2.231 20 0 CAADLO CCNC(=O)C[N@@H+](C)CCNC(=O)C[C@@H]1NC(=O)NC1=O ZINC001266282851 775104579 /nfs/dbraw/zinc/10/45/79/775104579.db2.gz URAWSWMJEFYDAU-QMMMGPOBSA-N 1 2 299.331 -2.231 20 0 CAADLO NC(=O)CC(=O)NCC[NH+]1CCN(CC(N)=O)CC1 ZINC001266281517 775104603 /nfs/dbraw/zinc/10/46/03/775104603.db2.gz QVLUOUYVKOQQIE-UHFFFAOYSA-N 1 2 271.321 -2.919 20 0 CAADLO NC(=O)C(=O)NCCN1CC[NH+](C/C=C/Cl)CC1 ZINC001266292333 775108871 /nfs/dbraw/zinc/10/88/71/775108871.db2.gz FEGHUKPAFLHMSG-OWOJBTEDSA-N 1 2 274.752 -1.042 20 0 CAADLO CCOCCNC(=O)C[N@@H+]1CC[C@H](NC(=O)COC)C1 ZINC001266298451 775109909 /nfs/dbraw/zinc/10/99/09/775109909.db2.gz DXIKKYXEMOCFFJ-NSHDSACASA-N 1 2 287.360 -1.024 20 0 CAADLO CCOCCNC(=O)C[N@H+]1CC[C@H](NC(=O)COC)C1 ZINC001266298451 775109912 /nfs/dbraw/zinc/10/99/12/775109912.db2.gz DXIKKYXEMOCFFJ-NSHDSACASA-N 1 2 287.360 -1.024 20 0 CAADLO O=C(NCCN1CC[NH+](CCO)CC1)c1ncn[nH]1 ZINC001266295150 775110102 /nfs/dbraw/zinc/11/01/02/775110102.db2.gz XANGYTUFWMKPIU-UHFFFAOYSA-N 1 2 268.321 -1.856 20 0 CAADLO O=C(NCCN1CC[NH+](CCO)CC1)c1nc[nH]n1 ZINC001266295150 775110110 /nfs/dbraw/zinc/11/01/10/775110110.db2.gz XANGYTUFWMKPIU-UHFFFAOYSA-N 1 2 268.321 -1.856 20 0 CAADLO CCCNC(=O)C[N@H+]1CC[C@H](NC(=O)CC(N)=O)C1 ZINC001266309907 775111526 /nfs/dbraw/zinc/11/15/26/775111526.db2.gz AXPHVFDSQNIZQD-VIFPVBQESA-N 1 2 270.333 -1.422 20 0 CAADLO CCCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CC(N)=O)C1 ZINC001266309907 775111518 /nfs/dbraw/zinc/11/15/18/775111518.db2.gz AXPHVFDSQNIZQD-VIFPVBQESA-N 1 2 270.333 -1.422 20 0 CAADLO CCCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CC(N)=O)C1 ZINC001266309906 775112540 /nfs/dbraw/zinc/11/25/40/775112540.db2.gz AXPHVFDSQNIZQD-SECBINFHSA-N 1 2 270.333 -1.422 20 0 CAADLO CCCNC(=O)C[N@H+]1CC[C@@H](NC(=O)CC(N)=O)C1 ZINC001266309906 775112543 /nfs/dbraw/zinc/11/25/43/775112543.db2.gz AXPHVFDSQNIZQD-SECBINFHSA-N 1 2 270.333 -1.422 20 0 CAADLO CCC(=O)NCC(=O)N[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001266311182 775112623 /nfs/dbraw/zinc/11/26/23/775112623.db2.gz SPMBOGXXYJLPGR-QMMMGPOBSA-N 1 2 256.306 -1.812 20 0 CAADLO CCC(=O)NCC(=O)N[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001266311182 775112627 /nfs/dbraw/zinc/11/26/27/775112627.db2.gz SPMBOGXXYJLPGR-QMMMGPOBSA-N 1 2 256.306 -1.812 20 0 CAADLO Cc1ncc(C(=O)NCC[N@H+](C)CC(N)=O)n1C ZINC001266314524 775112697 /nfs/dbraw/zinc/11/26/97/775112697.db2.gz XIBCOYHWNDBWBI-UHFFFAOYSA-N 1 2 253.306 -1.125 20 0 CAADLO Cc1ncc(C(=O)NCC[N@@H+](C)CC(N)=O)n1C ZINC001266314524 775112700 /nfs/dbraw/zinc/11/27/00/775112700.db2.gz XIBCOYHWNDBWBI-UHFFFAOYSA-N 1 2 253.306 -1.125 20 0 CAADLO CN1C(=O)CC[C@@H]1C(=O)NCC[N@H+](C)CC(N)=O ZINC001266313566 775113147 /nfs/dbraw/zinc/11/31/47/775113147.db2.gz LVXNRYDKGGZFTQ-MRVPVSSYSA-N 1 2 256.306 -1.860 20 0 CAADLO CN1C(=O)CC[C@@H]1C(=O)NCC[N@@H+](C)CC(N)=O ZINC001266313566 775113155 /nfs/dbraw/zinc/11/31/55/775113155.db2.gz LVXNRYDKGGZFTQ-MRVPVSSYSA-N 1 2 256.306 -1.860 20 0 CAADLO C[N@H+](CCNC(=O)C(N)=O)CC(=O)NCc1cccnc1 ZINC001266316075 775113849 /nfs/dbraw/zinc/11/38/49/775113849.db2.gz QFZKPSPTOMVLHA-UHFFFAOYSA-N 1 2 293.327 -1.769 20 0 CAADLO C[N@@H+](CCNC(=O)C(N)=O)CC(=O)NCc1cccnc1 ZINC001266316075 775113853 /nfs/dbraw/zinc/11/38/53/775113853.db2.gz QFZKPSPTOMVLHA-UHFFFAOYSA-N 1 2 293.327 -1.769 20 0 CAADLO C[N@H+](CCNC(=O)C(N)=O)CC(=O)NCC(F)(F)F ZINC001266315890 775114088 /nfs/dbraw/zinc/11/40/88/775114088.db2.gz JVYFWMLQXROPGY-UHFFFAOYSA-N 1 2 284.238 -1.802 20 0 CAADLO C[N@@H+](CCNC(=O)C(N)=O)CC(=O)NCC(F)(F)F ZINC001266315890 775114093 /nfs/dbraw/zinc/11/40/93/775114093.db2.gz JVYFWMLQXROPGY-UHFFFAOYSA-N 1 2 284.238 -1.802 20 0 CAADLO CCCNC(=O)C[N@H+](C)CCNC(=O)C1(C(N)=O)CC1 ZINC001266316066 775114364 /nfs/dbraw/zinc/11/43/64/775114364.db2.gz PUNHXQMDRXRVJN-UHFFFAOYSA-N 1 2 284.360 -1.174 20 0 CAADLO CCCNC(=O)C[N@@H+](C)CCNC(=O)C1(C(N)=O)CC1 ZINC001266316066 775114374 /nfs/dbraw/zinc/11/43/74/775114374.db2.gz PUNHXQMDRXRVJN-UHFFFAOYSA-N 1 2 284.360 -1.174 20 0 CAADLO CN(CC(F)(F)F)C(=O)C[N@H+](C)CCNC(=O)C(N)=O ZINC001266316110 775114445 /nfs/dbraw/zinc/11/44/45/775114445.db2.gz SAHPXFOAAJLDOT-UHFFFAOYSA-N 1 2 298.265 -1.460 20 0 CAADLO CN(CC(F)(F)F)C(=O)C[N@@H+](C)CCNC(=O)C(N)=O ZINC001266316110 775114454 /nfs/dbraw/zinc/11/44/54/775114454.db2.gz SAHPXFOAAJLDOT-UHFFFAOYSA-N 1 2 298.265 -1.460 20 0 CAADLO CNC(=O)C[N@H+](C)CCNC(=O)[C@]1(C)CCNC1=O ZINC001266326822 775115418 /nfs/dbraw/zinc/11/54/18/775115418.db2.gz NBCTVFRHBRGVFQ-GFCCVEGCSA-N 1 2 270.333 -1.693 20 0 CAADLO CNC(=O)C[N@@H+](C)CCNC(=O)[C@]1(C)CCNC1=O ZINC001266326822 775115422 /nfs/dbraw/zinc/11/54/22/775115422.db2.gz NBCTVFRHBRGVFQ-GFCCVEGCSA-N 1 2 270.333 -1.693 20 0 CAADLO C[C@@H]1CCCN(C(=O)C(=O)NCC[N@H+](C)CC(N)=O)C1 ZINC001266332060 775116988 /nfs/dbraw/zinc/11/69/88/775116988.db2.gz ASQYLLCCXHZRNV-SNVBAGLBSA-N 1 2 284.360 -1.222 20 0 CAADLO C[C@@H]1CCCN(C(=O)C(=O)NCC[N@@H+](C)CC(N)=O)C1 ZINC001266332060 775116990 /nfs/dbraw/zinc/11/69/90/775116990.db2.gz ASQYLLCCXHZRNV-SNVBAGLBSA-N 1 2 284.360 -1.222 20 0 CAADLO CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)C2(C(N)=O)CC2)C1 ZINC001266339159 775117851 /nfs/dbraw/zinc/11/78/51/775117851.db2.gz KPYCBIIMLGRPCX-VIFPVBQESA-N 1 2 282.344 -1.422 20 0 CAADLO CCNC(=O)C[N@H+]1CC[C@H](NC(=O)C2(C(N)=O)CC2)C1 ZINC001266339159 775117858 /nfs/dbraw/zinc/11/78/58/775117858.db2.gz KPYCBIIMLGRPCX-VIFPVBQESA-N 1 2 282.344 -1.422 20 0 CAADLO CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@@]2(C)CCNC2=O)C1 ZINC001266342328 775118788 /nfs/dbraw/zinc/11/87/88/775118788.db2.gz QOTOWVUENZRXDC-YGRLFVJLSA-N 1 2 296.371 -1.161 20 0 CAADLO CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@@]2(C)CCNC2=O)C1 ZINC001266342328 775118792 /nfs/dbraw/zinc/11/87/92/775118792.db2.gz QOTOWVUENZRXDC-YGRLFVJLSA-N 1 2 296.371 -1.161 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)C2(C(N)=O)CC2)C1 ZINC001266339843 775119300 /nfs/dbraw/zinc/11/93/00/775119300.db2.gz YZQHMKDSEAMNTO-JGVFFNPUSA-N 1 2 268.317 -1.684 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)C2(C(N)=O)CC2)C1 ZINC001266339843 775119306 /nfs/dbraw/zinc/11/93/06/775119306.db2.gz YZQHMKDSEAMNTO-JGVFFNPUSA-N 1 2 268.317 -1.684 20 0 CAADLO CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@]2(C)CCNC2=O)C1 ZINC001266342326 775119731 /nfs/dbraw/zinc/11/97/31/775119731.db2.gz QOTOWVUENZRXDC-IINYFYTJSA-N 1 2 296.371 -1.161 20 0 CAADLO CCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@]2(C)CCNC2=O)C1 ZINC001266342326 775119742 /nfs/dbraw/zinc/11/97/42/775119742.db2.gz QOTOWVUENZRXDC-IINYFYTJSA-N 1 2 296.371 -1.161 20 0 CAADLO CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@]2(C)CCNC2=O)C1 ZINC001266342327 775119968 /nfs/dbraw/zinc/11/99/68/775119968.db2.gz QOTOWVUENZRXDC-QMTHXVAHSA-N 1 2 296.371 -1.161 20 0 CAADLO CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@]2(C)CCNC2=O)C1 ZINC001266342327 775119975 /nfs/dbraw/zinc/11/99/75/775119975.db2.gz QOTOWVUENZRXDC-QMTHXVAHSA-N 1 2 296.371 -1.161 20 0 CAADLO CC[C@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)C(=O)NCC2CC2)C1 ZINC001266350812 775121352 /nfs/dbraw/zinc/12/13/52/775121352.db2.gz YDQBCJPIMOJNLQ-WDEREUQCSA-N 1 2 296.371 -1.033 20 0 CAADLO CC[C@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)C(=O)NCC2CC2)C1 ZINC001266350812 775121357 /nfs/dbraw/zinc/12/13/57/775121357.db2.gz YDQBCJPIMOJNLQ-WDEREUQCSA-N 1 2 296.371 -1.033 20 0 CAADLO CC[C@@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)C(=O)NCC2CC2)C1 ZINC001266350809 775121385 /nfs/dbraw/zinc/12/13/85/775121385.db2.gz YDQBCJPIMOJNLQ-MNOVXSKESA-N 1 2 296.371 -1.033 20 0 CAADLO CC[C@@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)C(=O)NCC2CC2)C1 ZINC001266350809 775121393 /nfs/dbraw/zinc/12/13/93/775121393.db2.gz YDQBCJPIMOJNLQ-MNOVXSKESA-N 1 2 296.371 -1.033 20 0 CAADLO C[N@H+](CCNC(=O)[C@H]1C[C@@]12CCOC2)CC(N)=O ZINC001266347208 775121835 /nfs/dbraw/zinc/12/18/35/775121835.db2.gz IDZBAAOHMRXHPV-BXKDBHETSA-N 1 2 255.318 -1.054 20 0 CAADLO C[N@@H+](CCNC(=O)[C@H]1C[C@@]12CCOC2)CC(N)=O ZINC001266347208 775121843 /nfs/dbraw/zinc/12/18/43/775121843.db2.gz IDZBAAOHMRXHPV-BXKDBHETSA-N 1 2 255.318 -1.054 20 0 CAADLO CC(C)C[C@@H](C(N)=O)C(=O)N[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001266363624 775125230 /nfs/dbraw/zinc/12/52/30/775125230.db2.gz KNWCNRBFVXBHKK-UWVGGRQHSA-N 1 2 284.360 -1.190 20 0 CAADLO CC(C)C[C@@H](C(N)=O)C(=O)N[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001266363624 775125237 /nfs/dbraw/zinc/12/52/37/775125237.db2.gz KNWCNRBFVXBHKK-UWVGGRQHSA-N 1 2 284.360 -1.190 20 0 CAADLO CC[N@H+](CCNC(=O)CCc1nnc[nH]1)CC(N)=O ZINC001266383289 775126440 /nfs/dbraw/zinc/12/64/40/775126440.db2.gz LDKYJDCCWVQXKQ-UHFFFAOYSA-N 1 2 268.321 -1.339 20 0 CAADLO CC[N@@H+](CCNC(=O)CCc1nnc[nH]1)CC(N)=O ZINC001266383289 775126442 /nfs/dbraw/zinc/12/64/42/775126442.db2.gz LDKYJDCCWVQXKQ-UHFFFAOYSA-N 1 2 268.321 -1.339 20 0 CAADLO C[C@@H](C(=O)N1CCC[C@@H]1CO)N1CC[NH2+]CC1=O ZINC000705735095 775127776 /nfs/dbraw/zinc/12/77/76/775127776.db2.gz BJBYICOJBNNPET-VHSXEESVSA-N 1 2 255.318 -1.210 20 0 CAADLO CC[N@H+](CCNC(=O)c1cnn[nH]1)[C@@H]1CCC(=O)NC1=O ZINC001266400406 775128058 /nfs/dbraw/zinc/12/80/58/775128058.db2.gz LUYNITJNTJFRRJ-SECBINFHSA-N 1 2 294.315 -1.338 20 0 CAADLO CC[N@@H+](CCNC(=O)c1cnn[nH]1)[C@@H]1CCC(=O)NC1=O ZINC001266400406 775128064 /nfs/dbraw/zinc/12/80/64/775128064.db2.gz LUYNITJNTJFRRJ-SECBINFHSA-N 1 2 294.315 -1.338 20 0 CAADLO O=C(CN1CC[NH2+]CC1=O)N1CCc2n[nH]nc2C1 ZINC000705917107 775132477 /nfs/dbraw/zinc/13/24/77/775132477.db2.gz IUPXUCLKQUETMY-UHFFFAOYSA-N 1 2 264.289 -1.879 20 0 CAADLO CC(C)[C@@H](CO)CNC(=O)CN1CC[NH2+]CC1=O ZINC000705915753 775132926 /nfs/dbraw/zinc/13/29/26/775132926.db2.gz QTIZLQZWXDPWEA-SNVBAGLBSA-N 1 2 257.334 -1.201 20 0 CAADLO CS(=O)(=O)CCCCNC(=O)CN1CC[NH2+]CC1=O ZINC000705901943 775132967 /nfs/dbraw/zinc/13/29/67/775132967.db2.gz ZZZLYMNRWANCBC-UHFFFAOYSA-N 1 2 291.373 -1.641 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NCC(F)F ZINC001266471281 775133588 /nfs/dbraw/zinc/13/35/88/775133588.db2.gz LUXAHPMHLVEJCW-ZETCQYMHSA-N 1 2 292.286 -1.566 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@H]1CNC(=O)C(=O)NCC(F)F ZINC001266471281 775133600 /nfs/dbraw/zinc/13/36/00/775133600.db2.gz LUXAHPMHLVEJCW-ZETCQYMHSA-N 1 2 292.286 -1.566 20 0 CAADLO C[C@@H]1COCCN(C(=O)CN2CC[NH2+]CC2=O)C1 ZINC000705953051 775134629 /nfs/dbraw/zinc/13/46/29/775134629.db2.gz FCRMVOSLFVPNBX-JTQLQIEISA-N 1 2 255.318 -1.087 20 0 CAADLO Cn1[nH]c(C[N@@H+]2CC[C@@H](CNC(=O)CC(N)=O)C2)nc1=O ZINC001266505514 775136228 /nfs/dbraw/zinc/13/62/28/775136228.db2.gz LTECBYXYDNYSOX-QMMMGPOBSA-N 1 2 296.331 -2.078 20 0 CAADLO Cn1[nH]c(C[N@H+]2CC[C@@H](CNC(=O)CC(N)=O)C2)nc1=O ZINC001266505514 775136234 /nfs/dbraw/zinc/13/62/34/775136234.db2.gz LTECBYXYDNYSOX-QMMMGPOBSA-N 1 2 296.331 -2.078 20 0 CAADLO Cn1cnnc1C[N@@H+]1CC[C@H](CNC(=O)C(N)=O)C1 ZINC001266527996 775141065 /nfs/dbraw/zinc/14/10/65/775141065.db2.gz HURATACKXNRPCU-MRVPVSSYSA-N 1 2 266.305 -1.762 20 0 CAADLO Cn1cnnc1C[N@H+]1CC[C@H](CNC(=O)C(N)=O)C1 ZINC001266527996 775141072 /nfs/dbraw/zinc/14/10/72/775141072.db2.gz HURATACKXNRPCU-MRVPVSSYSA-N 1 2 266.305 -1.762 20 0 CAADLO NC(=O)C(=O)NC[C@@H]1CC[N@H+](Cc2nnnn2C2CC2)C1 ZINC001266528625 775141418 /nfs/dbraw/zinc/14/14/18/775141418.db2.gz UMDDADOABBAPMH-QMMMGPOBSA-N 1 2 293.331 -1.569 20 0 CAADLO NC(=O)C(=O)NC[C@@H]1CC[N@@H+](Cc2nnnn2C2CC2)C1 ZINC001266528625 775141422 /nfs/dbraw/zinc/14/14/22/775141422.db2.gz UMDDADOABBAPMH-QMMMGPOBSA-N 1 2 293.331 -1.569 20 0 CAADLO NC(=O)C(=O)NC[C@H]1CC[N@H+](Cc2nnnn2C2CC2)C1 ZINC001266528624 775141589 /nfs/dbraw/zinc/14/15/89/775141589.db2.gz UMDDADOABBAPMH-MRVPVSSYSA-N 1 2 293.331 -1.569 20 0 CAADLO NC(=O)C(=O)NC[C@H]1CC[N@@H+](Cc2nnnn2C2CC2)C1 ZINC001266528624 775141594 /nfs/dbraw/zinc/14/15/94/775141594.db2.gz UMDDADOABBAPMH-MRVPVSSYSA-N 1 2 293.331 -1.569 20 0 CAADLO Cn1ncc(C[NH2+]CCNC(=O)CCc2nnc[nH]2)n1 ZINC001125408805 775143931 /nfs/dbraw/zinc/14/39/31/775143931.db2.gz FBDUYFPYWQDBBO-UHFFFAOYSA-N 1 2 278.320 -1.228 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+]1CC[C@H]1CNC(=O)c1cc(=O)n(C)o1 ZINC001038197159 775144197 /nfs/dbraw/zinc/14/41/97/775144197.db2.gz DVXYYRAWRAYHKX-IUCAKERBSA-N 1 2 296.327 -1.083 20 0 CAADLO CNC(=O)[C@H](C)[N@H+]1CC[C@H]1CNC(=O)c1cc(=O)n(C)o1 ZINC001038197159 775144205 /nfs/dbraw/zinc/14/42/05/775144205.db2.gz DVXYYRAWRAYHKX-IUCAKERBSA-N 1 2 296.327 -1.083 20 0 CAADLO C[C@@H]([NH2+]CCNC(=O)CCc1nnc[nH]1)c1nnnn1C ZINC001125408592 775144476 /nfs/dbraw/zinc/14/44/76/775144476.db2.gz BZSXEEIDIAOOMA-MRVPVSSYSA-N 1 2 293.335 -1.272 20 0 CAADLO Cn1cc(C[NH2+]CCNC(=O)CCc2nnc[nH]2)nn1 ZINC001125409930 775144842 /nfs/dbraw/zinc/14/48/42/775144842.db2.gz YOQGRKPDOFQPMD-UHFFFAOYSA-N 1 2 278.320 -1.228 20 0 CAADLO Cn1[nH]c(C[NH2+]CCNC(=O)CCc2nnc[nH]2)nc1=O ZINC001125419943 775145811 /nfs/dbraw/zinc/14/58/11/775145811.db2.gz WBQDJDIPCBLION-UHFFFAOYSA-N 1 2 294.319 -1.935 20 0 CAADLO Cn1ncnc1C[NH2+]CCNC(=O)CCc1nnc[nH]1 ZINC001125419560 775146878 /nfs/dbraw/zinc/14/68/78/775146878.db2.gz KMXKYTYYWSJORE-UHFFFAOYSA-N 1 2 278.320 -1.228 20 0 CAADLO CCC[N@H+](CCNC(=O)c1nnc[nH]1)CC(=O)NC ZINC001266575727 775146927 /nfs/dbraw/zinc/14/69/27/775146927.db2.gz ZYFHDTZOVSONCO-UHFFFAOYSA-N 1 2 268.321 -1.008 20 0 CAADLO CCC[N@@H+](CCNC(=O)c1nnc[nH]1)CC(=O)NC ZINC001266575727 775146930 /nfs/dbraw/zinc/14/69/30/775146930.db2.gz ZYFHDTZOVSONCO-UHFFFAOYSA-N 1 2 268.321 -1.008 20 0 CAADLO CCC[N@H+](CCNC(=O)c1ncn[nH]1)CC(=O)NC ZINC001266575727 775146933 /nfs/dbraw/zinc/14/69/33/775146933.db2.gz ZYFHDTZOVSONCO-UHFFFAOYSA-N 1 2 268.321 -1.008 20 0 CAADLO CCC[N@@H+](CCNC(=O)c1ncn[nH]1)CC(=O)NC ZINC001266575727 775146936 /nfs/dbraw/zinc/14/69/36/775146936.db2.gz ZYFHDTZOVSONCO-UHFFFAOYSA-N 1 2 268.321 -1.008 20 0 CAADLO CCC[N@H+](CCNC(=O)c1nc[nH]n1)CC(=O)NC ZINC001266575727 775146939 /nfs/dbraw/zinc/14/69/39/775146939.db2.gz ZYFHDTZOVSONCO-UHFFFAOYSA-N 1 2 268.321 -1.008 20 0 CAADLO CCC[N@@H+](CCNC(=O)c1nc[nH]n1)CC(=O)NC ZINC001266575727 775146943 /nfs/dbraw/zinc/14/69/43/775146943.db2.gz ZYFHDTZOVSONCO-UHFFFAOYSA-N 1 2 268.321 -1.008 20 0 CAADLO NC(=O)C[N@H+](CCNC(=O)C[C@@H]1NC(=O)NC1=O)C1CC1 ZINC001266594168 775150982 /nfs/dbraw/zinc/15/09/82/775150982.db2.gz HITWUQWIUIEFAS-QMMMGPOBSA-N 1 2 297.315 -2.350 20 0 CAADLO NC(=O)C[N@@H+](CCNC(=O)C[C@@H]1NC(=O)NC1=O)C1CC1 ZINC001266594168 775150988 /nfs/dbraw/zinc/15/09/88/775150988.db2.gz HITWUQWIUIEFAS-QMMMGPOBSA-N 1 2 297.315 -2.350 20 0 CAADLO CC[C@H](C)NC(=O)C[N@H+](CCNC(=O)C(N)=O)C1CC1 ZINC001266607001 775151197 /nfs/dbraw/zinc/15/11/97/775151197.db2.gz LFCNJMLKXBNTHD-VIFPVBQESA-N 1 2 284.360 -1.033 20 0 CAADLO CC[C@H](C)NC(=O)C[N@@H+](CCNC(=O)C(N)=O)C1CC1 ZINC001266607001 775151204 /nfs/dbraw/zinc/15/12/04/775151204.db2.gz LFCNJMLKXBNTHD-VIFPVBQESA-N 1 2 284.360 -1.033 20 0 CAADLO Cn1c[nH+]cc1CCC(=O)NCCNC(=O)CC(N)=O ZINC001282954897 775152562 /nfs/dbraw/zinc/15/25/62/775152562.db2.gz UVFVNTZATQDLGZ-UHFFFAOYSA-N 1 2 281.316 -1.540 20 0 CAADLO CC(=O)N1CC(C(=O)NC[C@H]2CC[N@H+]2CC(=O)N(C)C)C1 ZINC001038202622 775153748 /nfs/dbraw/zinc/15/37/48/775153748.db2.gz ZATYAWOYOHJNCY-GFCCVEGCSA-N 1 2 296.371 -1.257 20 0 CAADLO CC(=O)N1CC(C(=O)NC[C@H]2CC[N@@H+]2CC(=O)N(C)C)C1 ZINC001038202622 775153758 /nfs/dbraw/zinc/15/37/58/775153758.db2.gz ZATYAWOYOHJNCY-GFCCVEGCSA-N 1 2 296.371 -1.257 20 0 CAADLO CC[C@H](C(N)=O)[N@@H+]1CC[C@@H]1CNC(=O)C1CN(C(C)=O)C1 ZINC001038205431 775156910 /nfs/dbraw/zinc/15/69/10/775156910.db2.gz SJGCGPDBGIYVNL-VXGBXAGGSA-N 1 2 296.371 -1.081 20 0 CAADLO CC[C@H](C(N)=O)[N@H+]1CC[C@@H]1CNC(=O)C1CN(C(C)=O)C1 ZINC001038205431 775156917 /nfs/dbraw/zinc/15/69/17/775156917.db2.gz SJGCGPDBGIYVNL-VXGBXAGGSA-N 1 2 296.371 -1.081 20 0 CAADLO CN(CC[NH2+]Cc1nc(=O)n(C)[nH]1)C(=O)c1ccon1 ZINC001266651083 775157174 /nfs/dbraw/zinc/15/71/74/775157174.db2.gz RLOWEKLZDDKPAR-UHFFFAOYSA-N 1 2 280.288 -1.042 20 0 CAADLO CN(CC[NH2+]Cc1ncccn1)C(=O)Cn1ncnn1 ZINC001266701721 775163967 /nfs/dbraw/zinc/16/39/67/775163967.db2.gz CIHPXFLPLBVPNJ-UHFFFAOYSA-N 1 2 276.304 -1.289 20 0 CAADLO COC[C@@H](OC)C(=O)NCCNC(=O)Cc1c[nH]c[nH+]1 ZINC001283159113 775170149 /nfs/dbraw/zinc/17/01/49/775170149.db2.gz XXOZQLWHANFEPG-SNVBAGLBSA-N 1 2 284.316 -1.154 20 0 CAADLO O=C(Cn1cc[nH+]c1)NCCCNC(=O)[C@@H]1COCCO1 ZINC001283190556 775174550 /nfs/dbraw/zinc/17/45/50/775174550.db2.gz OBVHWCWLXVIGND-NSHDSACASA-N 1 2 296.327 -1.079 20 0 CAADLO O=C(Cn1cc[nH+]c1)NCCCNC(=O)[C@H]1COCCO1 ZINC001283190551 775174913 /nfs/dbraw/zinc/17/49/13/775174913.db2.gz OBVHWCWLXVIGND-LLVKDONJSA-N 1 2 296.327 -1.079 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CNC(=O)N1 ZINC001039426555 775176441 /nfs/dbraw/zinc/17/64/41/775176441.db2.gz JIMLCCYQMKXFOU-UTLUCORTSA-N 1 2 295.343 -1.782 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CNC(=O)N1 ZINC001039426555 775176444 /nfs/dbraw/zinc/17/64/44/775176444.db2.gz JIMLCCYQMKXFOU-UTLUCORTSA-N 1 2 295.343 -1.782 20 0 CAADLO Cn1cnc(C(=O)NC[C@@H]2CC[N@@H+]2CCn2cncn2)n1 ZINC001038223694 775179996 /nfs/dbraw/zinc/17/99/96/775179996.db2.gz CPMKJNZKHATILB-JTQLQIEISA-N 1 2 290.331 -1.089 20 0 CAADLO Cn1cnc(C(=O)NC[C@@H]2CC[N@H+]2CCn2cncn2)n1 ZINC001038223694 775180005 /nfs/dbraw/zinc/18/00/05/775180005.db2.gz CPMKJNZKHATILB-JTQLQIEISA-N 1 2 290.331 -1.089 20 0 CAADLO Cn1cc(C(=O)NC[C@@H]2CC[N@@H+]2[C@@H]2CCCNC2=O)nn1 ZINC001038228220 775183402 /nfs/dbraw/zinc/18/34/02/775183402.db2.gz WQDGSOLTNVEQLU-GXSJLCMTSA-N 1 2 292.343 -1.102 20 0 CAADLO Cn1cc(C(=O)NC[C@@H]2CC[N@H+]2[C@@H]2CCCNC2=O)nn1 ZINC001038228220 775183408 /nfs/dbraw/zinc/18/34/08/775183408.db2.gz WQDGSOLTNVEQLU-GXSJLCMTSA-N 1 2 292.343 -1.102 20 0 CAADLO Cn1cc(C(=O)NC[C@@H]2CC[N@@H+]2[C@H]2CCCNC2=O)nn1 ZINC001038228225 775184870 /nfs/dbraw/zinc/18/48/70/775184870.db2.gz WQDGSOLTNVEQLU-ONGXEEELSA-N 1 2 292.343 -1.102 20 0 CAADLO Cn1cc(C(=O)NC[C@@H]2CC[N@H+]2[C@H]2CCCNC2=O)nn1 ZINC001038228225 775184876 /nfs/dbraw/zinc/18/48/76/775184876.db2.gz WQDGSOLTNVEQLU-ONGXEEELSA-N 1 2 292.343 -1.102 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC(=O)N1 ZINC001039461317 775187577 /nfs/dbraw/zinc/18/75/77/775187577.db2.gz LLGHSQZGMLVBLH-VWYCJHECSA-N 1 2 294.355 -1.184 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC(=O)N1 ZINC001039461317 775187585 /nfs/dbraw/zinc/18/75/85/775187585.db2.gz LLGHSQZGMLVBLH-VWYCJHECSA-N 1 2 294.355 -1.184 20 0 CAADLO NC(=O)C(=O)NCCN(CCO)C(=O)Cc1[nH]cc[nH+]1 ZINC001058547637 775201323 /nfs/dbraw/zinc/20/13/23/775201323.db2.gz PADKPEDGLAZXIF-UHFFFAOYSA-N 1 2 283.288 -2.625 20 0 CAADLO C[C@@H](O)C[N@@H+]1C[C@H]2OCCN(C(=O)Cc3ncn[nH]3)[C@H]2C1 ZINC001083244125 775201488 /nfs/dbraw/zinc/20/14/88/775201488.db2.gz JYWFCVXPRLSEPT-OUAUKWLOSA-N 1 2 295.343 -1.360 20 0 CAADLO C[C@@H](O)C[N@H+]1C[C@H]2OCCN(C(=O)Cc3ncn[nH]3)[C@H]2C1 ZINC001083244125 775201496 /nfs/dbraw/zinc/20/14/96/775201496.db2.gz JYWFCVXPRLSEPT-OUAUKWLOSA-N 1 2 295.343 -1.360 20 0 CAADLO O=C(Cc1ncn[nH]1)N1CCO[C@@H]2C[N@@H+](CCCO)C[C@@H]21 ZINC001083243819 775202589 /nfs/dbraw/zinc/20/25/89/775202589.db2.gz WBENCNHQIOWYHS-WDEREUQCSA-N 1 2 295.343 -1.359 20 0 CAADLO O=C(Cc1ncn[nH]1)N1CCO[C@@H]2C[N@H+](CCCO)C[C@@H]21 ZINC001083243819 775202598 /nfs/dbraw/zinc/20/25/98/775202598.db2.gz WBENCNHQIOWYHS-WDEREUQCSA-N 1 2 295.343 -1.359 20 0 CAADLO CC[C@@H](CO)NS(=O)(=O)N1CC[NH+](C)CC1 ZINC001211546315 775203708 /nfs/dbraw/zinc/20/37/08/775203708.db2.gz CXWQDBZOPLGASC-VIFPVBQESA-N 1 2 251.352 -1.161 20 0 CAADLO Cn1[nH]c(C[NH2+]CCNC(=O)c2cc[nH]c(=O)c2)nc1=O ZINC001125605081 775204643 /nfs/dbraw/zinc/20/46/43/775204643.db2.gz LHMUYIOBDPZTJK-UHFFFAOYSA-N 1 2 292.299 -1.271 20 0 CAADLO CN(CC[NH2+]Cc1cnon1)C(=O)C[C@@H]1CC(=O)NC1=O ZINC001267159799 775206202 /nfs/dbraw/zinc/20/62/02/775206202.db2.gz YMUANOTWAVSECH-QMMMGPOBSA-N 1 2 295.299 -1.330 20 0 CAADLO C[N@H+](CCNC(=O)CC(N)=O)CC(=O)NC1CCCC1 ZINC001267189995 775209454 /nfs/dbraw/zinc/20/94/54/775209454.db2.gz YAFVGEKRLCMPND-UHFFFAOYSA-N 1 2 284.360 -1.031 20 0 CAADLO C[N@@H+](CCNC(=O)CC(N)=O)CC(=O)NC1CCCC1 ZINC001267189995 775209458 /nfs/dbraw/zinc/20/94/58/775209458.db2.gz YAFVGEKRLCMPND-UHFFFAOYSA-N 1 2 284.360 -1.031 20 0 CAADLO O=C(NCC[NH2+]Cc1cnon1)[C@H]1CCNC(=O)C1 ZINC001125631062 775209810 /nfs/dbraw/zinc/20/98/10/775209810.db2.gz RJNABJYAHXEVJP-QMMMGPOBSA-N 1 2 267.289 -1.198 20 0 CAADLO C[N@H+](CCNC(=O)c1cccc(=O)[nH]1)CC(N)=O ZINC001267188803 775209833 /nfs/dbraw/zinc/20/98/33/775209833.db2.gz FBVSUPYPXOYMGR-UHFFFAOYSA-N 1 2 252.274 -1.066 20 0 CAADLO C[N@@H+](CCNC(=O)c1cccc(=O)[nH]1)CC(N)=O ZINC001267188803 775209840 /nfs/dbraw/zinc/20/98/40/775209840.db2.gz FBVSUPYPXOYMGR-UHFFFAOYSA-N 1 2 252.274 -1.066 20 0 CAADLO CNC(=O)C[N@H+](C)CCNC(=O)c1ccnn1C ZINC001267187729 775210481 /nfs/dbraw/zinc/21/04/81/775210481.db2.gz AYCMNMBWUJCCSU-UHFFFAOYSA-N 1 2 253.306 -1.172 20 0 CAADLO CNC(=O)C[N@@H+](C)CCNC(=O)c1ccnn1C ZINC001267187729 775210490 /nfs/dbraw/zinc/21/04/90/775210490.db2.gz AYCMNMBWUJCCSU-UHFFFAOYSA-N 1 2 253.306 -1.172 20 0 CAADLO CC(C)NC(=O)C[N@H+](C)CCNC(=O)CC(N)=O ZINC001267189806 775210630 /nfs/dbraw/zinc/21/06/30/775210630.db2.gz VKGXUYNJYBTTJN-UHFFFAOYSA-N 1 2 258.322 -1.566 20 0 CAADLO CC(C)NC(=O)C[N@@H+](C)CCNC(=O)CC(N)=O ZINC001267189806 775210634 /nfs/dbraw/zinc/21/06/34/775210634.db2.gz VKGXUYNJYBTTJN-UHFFFAOYSA-N 1 2 258.322 -1.566 20 0 CAADLO C[C@H](NC(=O)C[N@H+](C)CCNC(=O)CC(N)=O)C1CC1 ZINC001267189560 775210701 /nfs/dbraw/zinc/21/07/01/775210701.db2.gz OTSCBQNBQRQXQU-VIFPVBQESA-N 1 2 284.360 -1.176 20 0 CAADLO C[C@H](NC(=O)C[N@@H+](C)CCNC(=O)CC(N)=O)C1CC1 ZINC001267189560 775210711 /nfs/dbraw/zinc/21/07/11/775210711.db2.gz OTSCBQNBQRQXQU-VIFPVBQESA-N 1 2 284.360 -1.176 20 0 CAADLO C[C@@H](NC(=O)C[N@H+](C)CCNC(=O)CC(N)=O)C1CC1 ZINC001267189558 775211074 /nfs/dbraw/zinc/21/10/74/775211074.db2.gz OTSCBQNBQRQXQU-SECBINFHSA-N 1 2 284.360 -1.176 20 0 CAADLO C[C@@H](NC(=O)C[N@@H+](C)CCNC(=O)CC(N)=O)C1CC1 ZINC001267189558 775211083 /nfs/dbraw/zinc/21/10/83/775211083.db2.gz OTSCBQNBQRQXQU-SECBINFHSA-N 1 2 284.360 -1.176 20 0 CAADLO C[C@H](C(=O)NCC[N@H+](C)CC(N)=O)n1cncn1 ZINC001267193070 775211544 /nfs/dbraw/zinc/21/15/44/775211544.db2.gz XDKSNAORRACSTI-MRVPVSSYSA-N 1 2 254.294 -1.628 20 0 CAADLO C[C@H](C(=O)NCC[N@@H+](C)CC(N)=O)n1cncn1 ZINC001267193070 775211549 /nfs/dbraw/zinc/21/15/49/775211549.db2.gz XDKSNAORRACSTI-MRVPVSSYSA-N 1 2 254.294 -1.628 20 0 CAADLO Cn1ccc(C(=O)NCC[N@H+](C)CC(N)=O)cc1=O ZINC001267202855 775213504 /nfs/dbraw/zinc/21/35/04/775213504.db2.gz JCCJTOLAPZZOOK-UHFFFAOYSA-N 1 2 266.301 -1.468 20 0 CAADLO Cn1ccc(C(=O)NCC[N@@H+](C)CC(N)=O)cc1=O ZINC001267202855 775213508 /nfs/dbraw/zinc/21/35/08/775213508.db2.gz JCCJTOLAPZZOOK-UHFFFAOYSA-N 1 2 266.301 -1.468 20 0 CAADLO CCC(CC)NC(=O)C[N@H+](C)CCNC(=O)C(N)=O ZINC001267214370 775215239 /nfs/dbraw/zinc/21/52/39/775215239.db2.gz VMHHUBQXUXWSLK-UHFFFAOYSA-N 1 2 272.349 -1.176 20 0 CAADLO CCC(CC)NC(=O)C[N@@H+](C)CCNC(=O)C(N)=O ZINC001267214370 775215245 /nfs/dbraw/zinc/21/52/45/775215245.db2.gz VMHHUBQXUXWSLK-UHFFFAOYSA-N 1 2 272.349 -1.176 20 0 CAADLO Cc1cc(C[N@H+](C)CCNC(=O)C(N)=O)ncn1 ZINC001267214389 775215273 /nfs/dbraw/zinc/21/52/73/775215273.db2.gz WCZVVSGECIRDRI-UHFFFAOYSA-N 1 2 251.290 -1.182 20 0 CAADLO Cc1cc(C[N@@H+](C)CCNC(=O)C(N)=O)ncn1 ZINC001267214389 775215285 /nfs/dbraw/zinc/21/52/85/775215285.db2.gz WCZVVSGECIRDRI-UHFFFAOYSA-N 1 2 251.290 -1.182 20 0 CAADLO CNC(=O)C1(C(=O)NCC[N@H+](C)CC(N)=O)CCC1 ZINC001267226603 775217280 /nfs/dbraw/zinc/21/72/80/775217280.db2.gz LEUOVOHONKHVNI-UHFFFAOYSA-N 1 2 270.333 -1.564 20 0 CAADLO CNC(=O)C1(C(=O)NCC[N@@H+](C)CC(N)=O)CCC1 ZINC001267226603 775217286 /nfs/dbraw/zinc/21/72/86/775217286.db2.gz LEUOVOHONKHVNI-UHFFFAOYSA-N 1 2 270.333 -1.564 20 0 CAADLO Cn1cc(CCC(=O)NCC[N@H+](C)CC(N)=O)cn1 ZINC001267233367 775217622 /nfs/dbraw/zinc/21/76/22/775217622.db2.gz SOBUNXYTPGBIGD-UHFFFAOYSA-N 1 2 267.333 -1.114 20 0 CAADLO Cn1cc(CCC(=O)NCC[N@@H+](C)CC(N)=O)cn1 ZINC001267233367 775217633 /nfs/dbraw/zinc/21/76/33/775217633.db2.gz SOBUNXYTPGBIGD-UHFFFAOYSA-N 1 2 267.333 -1.114 20 0 CAADLO CC[C@H](C(N)=O)[N@H+](C)CCNC(=O)c1nnc[nH]1 ZINC001267223197 775218468 /nfs/dbraw/zinc/21/84/68/775218468.db2.gz DQHMYTJCGRGRRD-SSDOTTSWSA-N 1 2 254.294 -1.270 20 0 CAADLO CC[C@H](C(N)=O)[N@@H+](C)CCNC(=O)c1nnc[nH]1 ZINC001267223197 775218474 /nfs/dbraw/zinc/21/84/74/775218474.db2.gz DQHMYTJCGRGRRD-SSDOTTSWSA-N 1 2 254.294 -1.270 20 0 CAADLO CC[C@H](C(N)=O)[N@H+](C)CCNC(=O)c1ncn[nH]1 ZINC001267223197 775218478 /nfs/dbraw/zinc/21/84/78/775218478.db2.gz DQHMYTJCGRGRRD-SSDOTTSWSA-N 1 2 254.294 -1.270 20 0 CAADLO CC[C@H](C(N)=O)[N@@H+](C)CCNC(=O)c1ncn[nH]1 ZINC001267223197 775218482 /nfs/dbraw/zinc/21/84/82/775218482.db2.gz DQHMYTJCGRGRRD-SSDOTTSWSA-N 1 2 254.294 -1.270 20 0 CAADLO CC[C@H](C(N)=O)[N@H+](C)CCNC(=O)c1nc[nH]n1 ZINC001267223197 775218488 /nfs/dbraw/zinc/21/84/88/775218488.db2.gz DQHMYTJCGRGRRD-SSDOTTSWSA-N 1 2 254.294 -1.270 20 0 CAADLO CC[C@H](C(N)=O)[N@@H+](C)CCNC(=O)c1nc[nH]n1 ZINC001267223197 775218491 /nfs/dbraw/zinc/21/84/91/775218491.db2.gz DQHMYTJCGRGRRD-SSDOTTSWSA-N 1 2 254.294 -1.270 20 0 CAADLO CNC(=O)C[N@H+](C)CCNC(=O)Cc1c[nH]cn1 ZINC001267219172 775218572 /nfs/dbraw/zinc/21/85/72/775218572.db2.gz NUALNLGJEOFQII-UHFFFAOYSA-N 1 2 253.306 -1.254 20 0 CAADLO CNC(=O)C[N@@H+](C)CCNC(=O)Cc1c[nH]cn1 ZINC001267219172 775218573 /nfs/dbraw/zinc/21/85/73/775218573.db2.gz NUALNLGJEOFQII-UHFFFAOYSA-N 1 2 253.306 -1.254 20 0 CAADLO Cc1nonc1CC(=O)NCC[N@@H+](C)CC(N)=O ZINC001267224668 775218619 /nfs/dbraw/zinc/21/86/19/775218619.db2.gz ISZRKCGNDXSWLW-UHFFFAOYSA-N 1 2 255.278 -1.546 20 0 CAADLO Cc1nonc1CC(=O)NCC[N@H+](C)CC(N)=O ZINC001267224668 775218623 /nfs/dbraw/zinc/21/86/23/775218623.db2.gz ISZRKCGNDXSWLW-UHFFFAOYSA-N 1 2 255.278 -1.546 20 0 CAADLO CN1CC(=O)N(CC(=O)NCC[N@H+](C)CC(N)=O)C1=O ZINC001267228980 775219113 /nfs/dbraw/zinc/21/91/13/775219113.db2.gz CMUMXMCUOMIBCP-UHFFFAOYSA-N 1 2 285.304 -2.586 20 0 CAADLO CN1CC(=O)N(CC(=O)NCC[N@@H+](C)CC(N)=O)C1=O ZINC001267228980 775219125 /nfs/dbraw/zinc/21/91/25/775219125.db2.gz CMUMXMCUOMIBCP-UHFFFAOYSA-N 1 2 285.304 -2.586 20 0 CAADLO CC[N@H+](CCNC(=O)C(N)=O)CC(=O)N(C)C1CC1 ZINC001267249259 775220011 /nfs/dbraw/zinc/22/00/11/775220011.db2.gz RUOWQZSVBHRADW-UHFFFAOYSA-N 1 2 270.333 -1.469 20 0 CAADLO CC[N@@H+](CCNC(=O)C(N)=O)CC(=O)N(C)C1CC1 ZINC001267249259 775220020 /nfs/dbraw/zinc/22/00/20/775220020.db2.gz RUOWQZSVBHRADW-UHFFFAOYSA-N 1 2 270.333 -1.469 20 0 CAADLO CCNC(=O)C[N@H+](CC)CCNC(=O)c1nnc[nH]1 ZINC001267253102 775220716 /nfs/dbraw/zinc/22/07/16/775220716.db2.gz FFGNIXKYTIJISK-UHFFFAOYSA-N 1 2 268.321 -1.008 20 0 CAADLO CCNC(=O)C[N@@H+](CC)CCNC(=O)c1nnc[nH]1 ZINC001267253102 775220723 /nfs/dbraw/zinc/22/07/23/775220723.db2.gz FFGNIXKYTIJISK-UHFFFAOYSA-N 1 2 268.321 -1.008 20 0 CAADLO CN(CC1CC1)C(=O)C[N@@H+]1CCC[C@H]1CNC(=O)C(N)=O ZINC001267274154 775222533 /nfs/dbraw/zinc/22/25/33/775222533.db2.gz LMZAAMJJKIJWGW-NSHDSACASA-N 1 2 296.371 -1.079 20 0 CAADLO CN(CC1CC1)C(=O)C[N@H+]1CCC[C@H]1CNC(=O)C(N)=O ZINC001267274154 775222541 /nfs/dbraw/zinc/22/25/41/775222541.db2.gz LMZAAMJJKIJWGW-NSHDSACASA-N 1 2 296.371 -1.079 20 0 CAADLO CN(CC1CC1)C(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)C(N)=O ZINC001267274153 775222694 /nfs/dbraw/zinc/22/26/94/775222694.db2.gz LMZAAMJJKIJWGW-LLVKDONJSA-N 1 2 296.371 -1.079 20 0 CAADLO CN(CC1CC1)C(=O)C[N@H+]1CCC[C@@H]1CNC(=O)C(N)=O ZINC001267274153 775222700 /nfs/dbraw/zinc/22/27/00/775222700.db2.gz LMZAAMJJKIJWGW-LLVKDONJSA-N 1 2 296.371 -1.079 20 0 CAADLO Cn1nccc1C[N@@H+]1CCC[C@@H]1CNC(=O)C(N)=O ZINC001267274276 775223914 /nfs/dbraw/zinc/22/39/14/775223914.db2.gz NHTQOBFZMDXLBR-SECBINFHSA-N 1 2 265.317 -1.014 20 0 CAADLO Cn1nccc1C[N@H+]1CCC[C@@H]1CNC(=O)C(N)=O ZINC001267274276 775223921 /nfs/dbraw/zinc/22/39/21/775223921.db2.gz NHTQOBFZMDXLBR-SECBINFHSA-N 1 2 265.317 -1.014 20 0 CAADLO COCC(=O)N1CC[C@H]2C[N@H+](Cc3nc(=O)n(C)[nH]3)C[C@H]21 ZINC001075464200 775223989 /nfs/dbraw/zinc/22/39/89/775223989.db2.gz RPPKXLKCKRIDQH-VHSXEESVSA-N 1 2 295.343 -1.213 20 0 CAADLO COCC(=O)N1CC[C@H]2C[N@@H+](Cc3nc(=O)n(C)[nH]3)C[C@H]21 ZINC001075464200 775223995 /nfs/dbraw/zinc/22/39/95/775223995.db2.gz RPPKXLKCKRIDQH-VHSXEESVSA-N 1 2 295.343 -1.213 20 0 CAADLO CS(=O)(=O)CCC[N@@H+]1CCC[C@@H]1CNC(=O)C(N)=O ZINC001267275605 775226092 /nfs/dbraw/zinc/22/60/92/775226092.db2.gz YWTLNGSCZNMIQJ-SECBINFHSA-N 1 2 291.373 -1.513 20 0 CAADLO CS(=O)(=O)CCC[N@H+]1CCC[C@@H]1CNC(=O)C(N)=O ZINC001267275605 775226095 /nfs/dbraw/zinc/22/60/95/775226095.db2.gz YWTLNGSCZNMIQJ-SECBINFHSA-N 1 2 291.373 -1.513 20 0 CAADLO Cc1ncc(C[NH3+])c(=N)n1-c1nn(C)c(=O)n(C)c1=O ZINC001167674737 775232568 /nfs/dbraw/zinc/23/25/68/775232568.db2.gz BZCFKCOZDLORRB-UHFFFAOYSA-N 1 2 277.288 -2.089 20 0 CAADLO CN(CC[NH2+]Cc1nc(=O)n(C)[nH]1)C(=O)c1cn[nH]c1 ZINC001267349217 775232631 /nfs/dbraw/zinc/23/26/31/775232631.db2.gz SYNHSBPHHXHAPO-UHFFFAOYSA-N 1 2 279.304 -1.307 20 0 CAADLO CCNC(=O)CC(=O)N(C)CC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001267365073 775234355 /nfs/dbraw/zinc/23/43/55/775234355.db2.gz PWLSETYTUYNBNP-UHFFFAOYSA-N 1 2 298.347 -1.817 20 0 CAADLO CN(CC[NH2+]Cc1nc(=O)n(C)[nH]1)C(=O)[C@@H]1COC(=O)N1 ZINC001267367864 775234417 /nfs/dbraw/zinc/23/44/17/775234417.db2.gz LXBGEALVCRCBBL-ZETCQYMHSA-N 1 2 298.303 -2.235 20 0 CAADLO CN(CC[NH2+]Cc1nncs1)C(=O)CC(N)=O ZINC001267355846 775235244 /nfs/dbraw/zinc/23/52/44/775235244.db2.gz GECDNPKBHGMONM-UHFFFAOYSA-N 1 2 257.319 -1.039 20 0 CAADLO CNC(=O)NCC(=O)N(C)CC[NH2+]Cc1ncccn1 ZINC001267379785 775237482 /nfs/dbraw/zinc/23/74/82/775237482.db2.gz LNMNOXACLIOUCO-UHFFFAOYSA-N 1 2 280.332 -1.046 20 0 CAADLO CN(CC[NH2+]Cc1nc(=O)n(C)[nH]1)C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001267416812 775242496 /nfs/dbraw/zinc/24/24/96/775242496.db2.gz HXNKXLBFFTYBJM-JZYVYDRUSA-N 1 2 295.343 -1.451 20 0 CAADLO NC(=O)CC(=O)NCCN(CCO)C(=O)Cc1[nH]cc[nH+]1 ZINC001058549815 775242555 /nfs/dbraw/zinc/24/25/55/775242555.db2.gz CFYMISNHJNTOQT-UHFFFAOYSA-N 1 2 297.315 -2.235 20 0 CAADLO CCn1nc(C)c(C[NH2+]CCN(C)C(=O)C(N)=O)n1 ZINC001267421785 775242931 /nfs/dbraw/zinc/24/29/31/775242931.db2.gz PPNXFEYGYIGFIF-UHFFFAOYSA-N 1 2 268.321 -1.360 20 0 CAADLO COCCC(=O)NCCN(CCO)C(=O)Cc1[nH]cc[nH+]1 ZINC001058550166 775243326 /nfs/dbraw/zinc/24/33/26/775243326.db2.gz NPCXVZNLKGMNDT-UHFFFAOYSA-N 1 2 298.343 -1.074 20 0 CAADLO CN(CC[NH2+]Cc1nc(=O)n(C)[nH]1)C(=O)c1csnn1 ZINC001267409032 775244043 /nfs/dbraw/zinc/24/40/43/775244043.db2.gz SNNZWZABNLDDED-UHFFFAOYSA-N 1 2 297.344 -1.178 20 0 CAADLO CC(=O)NCCN(CCO)C(=O)Cc1[nH]cc[nH+]1 ZINC001058549915 775244509 /nfs/dbraw/zinc/24/45/09/775244509.db2.gz GMPGIQUVUICMCJ-UHFFFAOYSA-N 1 2 254.290 -1.091 20 0 CAADLO CN(CC[NH2+]Cc1cnon1)C(=O)CN1C(=O)CNC1=O ZINC001267466264 775247480 /nfs/dbraw/zinc/24/74/80/775247480.db2.gz NHMBMCCPZMSIRU-UHFFFAOYSA-N 1 2 296.287 -1.831 20 0 CAADLO NC(=O)C[N@@H+]1CCCN(C(=O)Cn2ccccc2=O)CC1 ZINC000149861654 775249482 /nfs/dbraw/zinc/24/94/82/775249482.db2.gz MCRJDDJIFQIXJK-UHFFFAOYSA-N 1 2 292.339 -1.132 20 0 CAADLO NC(=O)C[N@H+]1CCCN(C(=O)Cn2ccccc2=O)CC1 ZINC000149861654 775249488 /nfs/dbraw/zinc/24/94/88/775249488.db2.gz MCRJDDJIFQIXJK-UHFFFAOYSA-N 1 2 292.339 -1.132 20 0 CAADLO CN(C)C(=O)C[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CC(=O)N(C)C1 ZINC001038310409 775251770 /nfs/dbraw/zinc/25/17/70/775251770.db2.gz MBLNLMWKYYRPPL-WDEREUQCSA-N 1 2 296.371 -1.257 20 0 CAADLO CN(C)C(=O)C[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CC(=O)N(C)C1 ZINC001038310409 775251775 /nfs/dbraw/zinc/25/17/75/775251775.db2.gz MBLNLMWKYYRPPL-WDEREUQCSA-N 1 2 296.371 -1.257 20 0 CAADLO CN(C)C(=O)C[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CC(=O)N(C)C1 ZINC001038310405 775252214 /nfs/dbraw/zinc/25/22/14/775252214.db2.gz MBLNLMWKYYRPPL-MNOVXSKESA-N 1 2 296.371 -1.257 20 0 CAADLO CN(C)C(=O)C[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CC(=O)N(C)C1 ZINC001038310405 775252216 /nfs/dbraw/zinc/25/22/16/775252216.db2.gz MBLNLMWKYYRPPL-MNOVXSKESA-N 1 2 296.371 -1.257 20 0 CAADLO CN(C)C(=O)C[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CC(=O)N(C)C1 ZINC001038310407 775252223 /nfs/dbraw/zinc/25/22/23/775252223.db2.gz MBLNLMWKYYRPPL-QWRGUYRKSA-N 1 2 296.371 -1.257 20 0 CAADLO CN(C)C(=O)C[N@H+]1CC[C@H]1CNC(=O)[C@H]1CC(=O)N(C)C1 ZINC001038310407 775252228 /nfs/dbraw/zinc/25/22/28/775252228.db2.gz MBLNLMWKYYRPPL-QWRGUYRKSA-N 1 2 296.371 -1.257 20 0 CAADLO CC[C@@H](C(N)=O)[NH+]1CCN(CCN(C)C(=O)C(N)=O)CC1 ZINC001267574800 775257929 /nfs/dbraw/zinc/25/79/29/775257929.db2.gz SEQVGUWAVURHOI-JTQLQIEISA-N 1 2 299.375 -2.188 20 0 CAADLO Cc1[nH+]c[nH]c1CC(=O)NCCNCc1nnn(C)n1 ZINC001149134853 775259127 /nfs/dbraw/zinc/25/91/27/775259127.db2.gz NHGJQDAEXWTBGN-UHFFFAOYSA-N 1 2 278.320 -1.310 20 0 CAADLO NC(=O)CC(=O)NCC1(O)CN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001042231889 775259677 /nfs/dbraw/zinc/25/96/77/775259677.db2.gz PTUIIGKSKCSLJL-UHFFFAOYSA-N 1 2 295.299 -2.483 20 0 CAADLO CC(=O)NCC(=O)NC1CN(Cc2c[nH+]cn2C)C1 ZINC001267635646 775274353 /nfs/dbraw/zinc/27/43/53/775274353.db2.gz HWFMKJQBHRYFBM-UHFFFAOYSA-N 1 2 265.317 -1.143 20 0 CAADLO COC[C@H](O)C[NH+]1CC(NC(=O)c2cnn(C)c2)C1 ZINC001267635166 775274683 /nfs/dbraw/zinc/27/46/83/775274683.db2.gz FGDWFQPWYUMQDI-LLVKDONJSA-N 1 2 268.317 -1.159 20 0 CAADLO CCCNC(=O)[C@H](C)[N@@H+]1CCC[C@H](NC(=O)C(N)=O)C1 ZINC001267629905 775274962 /nfs/dbraw/zinc/27/49/62/775274962.db2.gz QNYSNKCBPOKJNZ-UWVGGRQHSA-N 1 2 284.360 -1.033 20 0 CAADLO CCCNC(=O)[C@H](C)[N@H+]1CCC[C@H](NC(=O)C(N)=O)C1 ZINC001267629905 775274971 /nfs/dbraw/zinc/27/49/71/775274971.db2.gz QNYSNKCBPOKJNZ-UWVGGRQHSA-N 1 2 284.360 -1.033 20 0 CAADLO CC(=O)N(C)CC(=O)NC1C[NH+](CCOCCO)C1 ZINC001267637156 775276775 /nfs/dbraw/zinc/27/67/75/775276775.db2.gz RWRJIIPYPIVKKM-UHFFFAOYSA-N 1 2 273.333 -1.726 20 0 CAADLO CN(CC(=O)NC1C[NH+](CCOCCO)C1)C(=O)C1CC1 ZINC001267647482 775277563 /nfs/dbraw/zinc/27/75/63/775277563.db2.gz HWHOKCNDUCBHHD-UHFFFAOYSA-N 1 2 299.371 -1.336 20 0 CAADLO O=C(CCn1ccnn1)NC1C[NH+](CCCO)C1 ZINC001267643350 775278334 /nfs/dbraw/zinc/27/83/34/775278334.db2.gz OZCCEBHCPNXPMY-UHFFFAOYSA-N 1 2 253.306 -1.149 20 0 CAADLO O=C(CO[C@@H]1CCOC1)NC1C[NH+](CCCO)C1 ZINC001267645200 775278725 /nfs/dbraw/zinc/27/87/25/775278725.db2.gz OUXCXBLUNDNSPH-LLVKDONJSA-N 1 2 258.318 -1.025 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(NC(=O)CC(C)(C)O)C1 ZINC001267643957 775278960 /nfs/dbraw/zinc/27/89/60/775278960.db2.gz BDIDDIKQCNXJPB-JTQLQIEISA-N 1 2 260.334 -1.045 20 0 CAADLO O=C(CO[C@H]1CCOC1)NC1C[NH+](CCCO)C1 ZINC001267645201 775279008 /nfs/dbraw/zinc/27/90/08/775279008.db2.gz OUXCXBLUNDNSPH-NSHDSACASA-N 1 2 258.318 -1.025 20 0 CAADLO O=C(CCN1C(=O)CCC1=O)NC1C[NH+](CCO)C1 ZINC001267652033 775279675 /nfs/dbraw/zinc/27/96/75/775279675.db2.gz DRPIBBKWROVZBV-UHFFFAOYSA-N 1 2 269.301 -1.682 20 0 CAADLO C[C@H](O)C[NH+]1CC(NC(=O)CCc2cn(C)nn2)C1 ZINC001267672916 775281054 /nfs/dbraw/zinc/28/10/54/775281054.db2.gz PTKHDLBRARXLBP-VIFPVBQESA-N 1 2 267.333 -1.071 20 0 CAADLO O=C(CCN1CCCC1=O)NC1C[NH+](CCOCCO)C1 ZINC001267669870 775281093 /nfs/dbraw/zinc/28/10/93/775281093.db2.gz LOHKGXLOQYENDN-UHFFFAOYSA-N 1 2 299.371 -1.192 20 0 CAADLO COCC[NH+]1CC(NC(=O)CCn2cc[nH]c(=O)c2=O)C1 ZINC001267661620 775281317 /nfs/dbraw/zinc/28/13/17/775281317.db2.gz DZGXHELRWHSTRJ-UHFFFAOYSA-N 1 2 296.327 -1.627 20 0 CAADLO C[C@@H](O)C[NH+]1CC(NC(=O)CCn2cnnn2)C1 ZINC001267663804 775281881 /nfs/dbraw/zinc/28/18/81/775281881.db2.gz WRGICHGSPBGMPQ-MRVPVSSYSA-N 1 2 254.294 -1.756 20 0 CAADLO O=C(CCCn1cncn1)NC1C[NH+](CCO)C1 ZINC001267664987 775282099 /nfs/dbraw/zinc/28/20/99/775282099.db2.gz ZTZMYLZPHOTLQX-UHFFFAOYSA-N 1 2 253.306 -1.149 20 0 CAADLO COC[C@@H](O)CN1CC(NC(=O)Cn2cc[nH+]c2)C1 ZINC001267673165 775282394 /nfs/dbraw/zinc/28/23/94/775282394.db2.gz YKMFMYBBSWULCJ-NSHDSACASA-N 1 2 268.317 -1.309 20 0 CAADLO NC(=O)C[NH+]1CC(CNC(=O)CCn2cccn2)C1 ZINC001267674554 775283407 /nfs/dbraw/zinc/28/34/07/775283407.db2.gz QQPPEJJYRIXHGZ-UHFFFAOYSA-N 1 2 265.317 -1.194 20 0 CAADLO C[C@H](C(N)=O)[NH+]1CC(CNC(=O)Cn2cnnn2)C1 ZINC001267674224 775283565 /nfs/dbraw/zinc/28/35/65/775283565.db2.gz APAPVXXAXKYCQC-SSDOTTSWSA-N 1 2 267.293 -2.405 20 0 CAADLO C[C@@H](C(N)=O)[NH+]1CC(CNC(=O)Cn2cnnn2)C1 ZINC001267674231 775283596 /nfs/dbraw/zinc/28/35/96/775283596.db2.gz APAPVXXAXKYCQC-ZETCQYMHSA-N 1 2 267.293 -2.405 20 0 CAADLO CO[C@H](C)C(=O)NCC1C[NH+]([C@@H]2CCNC2=O)C1 ZINC001267673819 775283733 /nfs/dbraw/zinc/28/37/33/775283733.db2.gz HOAAFHGZYWYIIS-PSASIEDQSA-N 1 2 255.318 -1.042 20 0 CAADLO C[C@@H](C(N)=O)[NH+]1CC(CNC(=O)Cn2cccn2)C1 ZINC001267675054 775283972 /nfs/dbraw/zinc/28/39/72/775283972.db2.gz LVCYGZYEYGDPCZ-VIFPVBQESA-N 1 2 265.317 -1.195 20 0 CAADLO CCNC(=O)NC(=O)C[NH+]1CC(CNC(=O)CC(N)=O)C1 ZINC001267678271 775284072 /nfs/dbraw/zinc/28/40/72/775284072.db2.gz OKZQUIUOFJSZBH-UHFFFAOYSA-N 1 2 299.331 -2.245 20 0 CAADLO CO[C@H](C(=O)NCC1C[NH+](CC(N)=O)C1)C1CC1 ZINC001267680771 775284085 /nfs/dbraw/zinc/28/40/85/775284085.db2.gz WSESKBQJFRRQEC-NSHDSACASA-N 1 2 255.318 -1.055 20 0 CAADLO C[C@H](O)C[NH+]1CC(CNC(=O)CS(C)(=O)=O)C1 ZINC001267676479 775284366 /nfs/dbraw/zinc/28/43/66/775284366.db2.gz KXHIQYYJNIBNKJ-QMMMGPOBSA-N 1 2 264.347 -1.540 20 0 CAADLO NC(=O)CC(=O)NC[C@@H](CO)[NH2+]Cc1cscn1 ZINC001283744672 775284986 /nfs/dbraw/zinc/28/49/86/775284986.db2.gz GZKNYOOMRATQCM-ZETCQYMHSA-N 1 2 272.330 -1.415 20 0 CAADLO CC(C)(C(N)=O)C(=O)NCC1C[NH+]([C@H]2CCNC2=O)C1 ZINC001267687254 775285556 /nfs/dbraw/zinc/28/55/56/775285556.db2.gz ZEUBWSVVXHYATC-VIFPVBQESA-N 1 2 282.344 -1.566 20 0 CAADLO C[C@H](C(N)=O)[NH+]1CC(CNC(=O)C2(C(N)=O)CC2)C1 ZINC001267691831 775285577 /nfs/dbraw/zinc/28/55/77/775285577.db2.gz WGQPBITUYHILDR-SSDOTTSWSA-N 1 2 268.317 -1.826 20 0 CAADLO Cc1ncc(C[NH+]2CC(CNC(=O)C(N)=O)C2)cn1 ZINC001267691329 775285797 /nfs/dbraw/zinc/28/57/97/775285797.db2.gz OKZDEHSNYVVWHE-UHFFFAOYSA-N 1 2 263.301 -1.182 20 0 CAADLO NC(=O)CCCC(=O)NCC1C[NH+](CC(N)=O)C1 ZINC001267701558 775286972 /nfs/dbraw/zinc/28/69/72/775286972.db2.gz USQLBWCRLVUIHQ-UHFFFAOYSA-N 1 2 256.306 -1.825 20 0 CAADLO CCNC(=O)CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@H](C)C(N)=O ZINC001267704973 775287311 /nfs/dbraw/zinc/28/73/11/775287311.db2.gz JSCAKRDLXNXTRT-UTLUCORTSA-N 1 2 282.344 -1.329 20 0 CAADLO CCNC(=O)CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2[C@H](C)C(N)=O ZINC001267704973 775287320 /nfs/dbraw/zinc/28/73/20/775287320.db2.gz JSCAKRDLXNXTRT-UTLUCORTSA-N 1 2 282.344 -1.329 20 0 CAADLO NC(=O)[C@@]1(O)CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC000310910867 775288172 /nfs/dbraw/zinc/28/81/72/775288172.db2.gz PBLOLCSXTUWVEU-LLVKDONJSA-N 1 2 252.274 -1.278 20 0 CAADLO C[C@H](C(N)=O)[NH+]1CC(CNC(=O)C(=O)NCC2CC2)C1 ZINC001267695501 775288344 /nfs/dbraw/zinc/28/83/44/775288344.db2.gz YHIMDVKJLHMNMX-MRVPVSSYSA-N 1 2 282.344 -1.566 20 0 CAADLO C[C@H](O)C[N@@H+]1CC[C@H](NC(=O)CS(C)(=O)=O)C1 ZINC001267719623 775289786 /nfs/dbraw/zinc/28/97/86/775289786.db2.gz HLLNAJUNOVVKBT-IUCAKERBSA-N 1 2 264.347 -1.398 20 0 CAADLO C[C@H](O)C[N@H+]1CC[C@H](NC(=O)CS(C)(=O)=O)C1 ZINC001267719623 775289793 /nfs/dbraw/zinc/28/97/93/775289793.db2.gz HLLNAJUNOVVKBT-IUCAKERBSA-N 1 2 264.347 -1.398 20 0 CAADLO COC[C@@H](OC)C(=O)N[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001267729639 775292221 /nfs/dbraw/zinc/29/22/21/775292221.db2.gz AHGJCBQLLZQKHI-DTWKUNHWSA-N 1 2 259.306 -1.676 20 0 CAADLO COC[C@@H](OC)C(=O)N[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001267729639 775292229 /nfs/dbraw/zinc/29/22/29/775292229.db2.gz AHGJCBQLLZQKHI-DTWKUNHWSA-N 1 2 259.306 -1.676 20 0 CAADLO O=C(NCC1CC1)C(=O)N[C@H]1CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001267732788 775292253 /nfs/dbraw/zinc/29/22/53/775292253.db2.gz OHHBONWMRHRVLL-QWRGUYRKSA-N 1 2 294.355 -1.408 20 0 CAADLO O=C(NCC1CC1)C(=O)N[C@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001267732788 775292262 /nfs/dbraw/zinc/29/22/62/775292262.db2.gz OHHBONWMRHRVLL-QWRGUYRKSA-N 1 2 294.355 -1.408 20 0 CAADLO Cc1nc(N(C)C)nc(NC[C@H](C)N(C)C(=O)C(N)=O)[nH+]1 ZINC001104791496 775294208 /nfs/dbraw/zinc/29/42/08/775294208.db2.gz KTLMEYYHXMKKLI-ZETCQYMHSA-N 1 2 295.347 -1.010 20 0 CAADLO O=C(N[C@@H](CO)Cc1c[nH]c[nH+]1)[C@@H]1CNC(=O)N1 ZINC001220290742 775296375 /nfs/dbraw/zinc/29/63/75/775296375.db2.gz CXSFASVOTHNLTP-SFYZADRCSA-N 1 2 253.262 -1.889 20 0 CAADLO O=C(N[C@@H](CO)Cc1c[nH+]c[nH]1)[C@@H]1CNC(=O)N1 ZINC001220290742 775296382 /nfs/dbraw/zinc/29/63/82/775296382.db2.gz CXSFASVOTHNLTP-SFYZADRCSA-N 1 2 253.262 -1.889 20 0 CAADLO COCCOCC(=O)N(C)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001267760622 775299172 /nfs/dbraw/zinc/29/91/72/775299172.db2.gz VXFYWEMAZIVUSE-JTQLQIEISA-N 1 2 273.333 -1.333 20 0 CAADLO COCCOCC(=O)N(C)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001267760622 775299179 /nfs/dbraw/zinc/29/91/79/775299179.db2.gz VXFYWEMAZIVUSE-JTQLQIEISA-N 1 2 273.333 -1.333 20 0 CAADLO COCCOCC(=O)N(C)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001267760624 775299244 /nfs/dbraw/zinc/29/92/44/775299244.db2.gz VXFYWEMAZIVUSE-SNVBAGLBSA-N 1 2 273.333 -1.333 20 0 CAADLO COCCOCC(=O)N(C)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001267760624 775299252 /nfs/dbraw/zinc/29/92/52/775299252.db2.gz VXFYWEMAZIVUSE-SNVBAGLBSA-N 1 2 273.333 -1.333 20 0 CAADLO C[C@@H](CCNC(=O)CNC(N)=O)NC(=O)Cc1c[nH]c[nH+]1 ZINC001075546424 775299539 /nfs/dbraw/zinc/29/95/39/775299539.db2.gz XNUYTPSLSKEERX-QMMMGPOBSA-N 1 2 296.331 -1.369 20 0 CAADLO Cc1conc1C[NH2+][C@H](CO)CNC(=O)C1(C(N)=O)CC1 ZINC001283797078 775300048 /nfs/dbraw/zinc/30/00/48/775300048.db2.gz LKYUKEBMEPJYHF-VIFPVBQESA-N 1 2 296.327 -1.185 20 0 CAADLO CCCNC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)C(N)=O)C1 ZINC001267770505 775300764 /nfs/dbraw/zinc/30/07/64/775300764.db2.gz MRCVCHPQZHAZHE-SECBINFHSA-N 1 2 270.333 -1.469 20 0 CAADLO CCCNC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)C(N)=O)C1 ZINC001267770505 775300776 /nfs/dbraw/zinc/30/07/76/775300776.db2.gz MRCVCHPQZHAZHE-SECBINFHSA-N 1 2 270.333 -1.469 20 0 CAADLO CCNC(=O)NC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)C(N)=O)C1 ZINC001267771153 775300808 /nfs/dbraw/zinc/30/08/08/775300808.db2.gz ZTHAOLKNSBIJDU-MRVPVSSYSA-N 1 2 299.331 -2.150 20 0 CAADLO CCNC(=O)NC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)C(N)=O)C1 ZINC001267771153 775300818 /nfs/dbraw/zinc/30/08/18/775300818.db2.gz ZTHAOLKNSBIJDU-MRVPVSSYSA-N 1 2 299.331 -2.150 20 0 CAADLO CCCNC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)C(N)=O)C1 ZINC001267770506 775301028 /nfs/dbraw/zinc/30/10/28/775301028.db2.gz MRCVCHPQZHAZHE-VIFPVBQESA-N 1 2 270.333 -1.469 20 0 CAADLO CCCNC(=O)C[N@H+]1CC[C@H](N(C)C(=O)C(N)=O)C1 ZINC001267770506 775301040 /nfs/dbraw/zinc/30/10/40/775301040.db2.gz MRCVCHPQZHAZHE-VIFPVBQESA-N 1 2 270.333 -1.469 20 0 CAADLO Cc1nonc1C[NH2+]CCNC(=O)CN1CCOCC1 ZINC001125889869 775301585 /nfs/dbraw/zinc/30/15/85/775301585.db2.gz FJXBNLRKYWXXCK-UHFFFAOYSA-N 1 2 283.332 -1.084 20 0 CAADLO CCCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](N(C)C(=O)C(N)=O)C1 ZINC001267769026 775301749 /nfs/dbraw/zinc/30/17/49/775301749.db2.gz AAKXEAXVFHEOPR-ZJUUUORDSA-N 1 2 284.360 -1.081 20 0 CAADLO CCCNC(=O)[C@@H](C)[N@H+]1CC[C@H](N(C)C(=O)C(N)=O)C1 ZINC001267769026 775301763 /nfs/dbraw/zinc/30/17/63/775301763.db2.gz AAKXEAXVFHEOPR-ZJUUUORDSA-N 1 2 284.360 -1.081 20 0 CAADLO CCNC(=O)NC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)C(N)=O)C1 ZINC001267771154 775302007 /nfs/dbraw/zinc/30/20/07/775302007.db2.gz ZTHAOLKNSBIJDU-QMMMGPOBSA-N 1 2 299.331 -2.150 20 0 CAADLO CCNC(=O)NC(=O)C[N@H+]1CC[C@H](N(C)C(=O)C(N)=O)C1 ZINC001267771154 775302016 /nfs/dbraw/zinc/30/20/16/775302016.db2.gz ZTHAOLKNSBIJDU-QMMMGPOBSA-N 1 2 299.331 -2.150 20 0 CAADLO CC(=O)N[C@@H]1C[N@H+](CC[C@H]2CCS(=O)(=O)C2)C[C@@H]1O ZINC001083295582 775302768 /nfs/dbraw/zinc/30/27/68/775302768.db2.gz CXNHLTCNIHISFR-TUAOUCFPSA-N 1 2 290.385 -1.008 20 0 CAADLO CC(=O)N[C@@H]1C[N@@H+](CC[C@H]2CCS(=O)(=O)C2)C[C@@H]1O ZINC001083295582 775302779 /nfs/dbraw/zinc/30/27/79/775302779.db2.gz CXNHLTCNIHISFR-TUAOUCFPSA-N 1 2 290.385 -1.008 20 0 CAADLO Cn1[nH]c(C[NH2+]CCNC(=O)CN2CCOCC2)nc1=O ZINC001125891902 775304469 /nfs/dbraw/zinc/30/44/69/775304469.db2.gz UOJMERINGLUSEB-UHFFFAOYSA-N 1 2 298.347 -2.354 20 0 CAADLO CC[C@H](CNC(=O)[C@@H]1CCNC1=O)[NH2+]Cc1nnn(C)n1 ZINC001267815418 775305137 /nfs/dbraw/zinc/30/51/37/775305137.db2.gz JPHGLVXWHUDFOC-RKDXNWHRSA-N 1 2 295.347 -1.669 20 0 CAADLO CC(=O)N[C@@H]1C[N@H+](CCN2CCCS2(=O)=O)C[C@@H]1O ZINC001083295804 775305789 /nfs/dbraw/zinc/30/57/89/775305789.db2.gz ONOALHGKLAXMIN-MNOVXSKESA-N 1 2 291.373 -1.797 20 0 CAADLO CC(=O)N[C@@H]1C[N@@H+](CCN2CCCS2(=O)=O)C[C@@H]1O ZINC001083295804 775305799 /nfs/dbraw/zinc/30/57/99/775305799.db2.gz ONOALHGKLAXMIN-MNOVXSKESA-N 1 2 291.373 -1.797 20 0 CAADLO CC[C@@H](CNC(=O)[C@@H]1CCNC1=O)[NH2+]Cc1nnn(C)n1 ZINC001267815416 775306924 /nfs/dbraw/zinc/30/69/24/775306924.db2.gz JPHGLVXWHUDFOC-DTWKUNHWSA-N 1 2 295.347 -1.669 20 0 CAADLO CCCCn1nnnc1C[NH2+][C@@H](CC)CNC(=O)C(N)=O ZINC001267817477 775307111 /nfs/dbraw/zinc/30/71/11/775307111.db2.gz LTAVZDYUIRRQCX-VIFPVBQESA-N 1 2 297.363 -1.057 20 0 CAADLO CC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCO[C@H](C)C2)C[C@@H]1O ZINC001083296206 775307193 /nfs/dbraw/zinc/30/71/93/775307193.db2.gz FVQCYNGDQPHDBM-JLLWLGSASA-N 1 2 285.344 -1.585 20 0 CAADLO CC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCO[C@H](C)C2)C[C@@H]1O ZINC001083296206 775307206 /nfs/dbraw/zinc/30/72/06/775307206.db2.gz FVQCYNGDQPHDBM-JLLWLGSASA-N 1 2 285.344 -1.585 20 0 CAADLO CC(=O)N[C@@H]1C[N@H+](Cc2cc(=O)n(C)c(=O)n2C)C[C@@H]1O ZINC001083296950 775309214 /nfs/dbraw/zinc/30/92/14/775309214.db2.gz NOHPRVVSVRSOKW-MNOVXSKESA-N 1 2 296.327 -2.235 20 0 CAADLO CC(=O)N[C@@H]1C[N@@H+](Cc2cc(=O)n(C)c(=O)n2C)C[C@@H]1O ZINC001083296950 775309227 /nfs/dbraw/zinc/30/92/27/775309227.db2.gz NOHPRVVSVRSOKW-MNOVXSKESA-N 1 2 296.327 -2.235 20 0 CAADLO CCC(=O)N[C@@H]1C[N@@H+]([C@H]2CCN(C)C2=O)C[C@@H]1O ZINC001083297247 775310314 /nfs/dbraw/zinc/31/03/14/775310314.db2.gz AKFQOUUNNBETMM-UTLUCORTSA-N 1 2 255.318 -1.212 20 0 CAADLO CCC(=O)N[C@@H]1C[N@H+]([C@H]2CCN(C)C2=O)C[C@@H]1O ZINC001083297247 775310323 /nfs/dbraw/zinc/31/03/23/775310323.db2.gz AKFQOUUNNBETMM-UTLUCORTSA-N 1 2 255.318 -1.212 20 0 CAADLO CCC(=O)N[C@@H]1C[N@H+](C[C@@H]2CCS(=O)(=O)C2)C[C@@H]1O ZINC001083297593 775310376 /nfs/dbraw/zinc/31/03/76/775310376.db2.gz QXAMTFYXVUWGOZ-AXFHLTTASA-N 1 2 290.385 -1.008 20 0 CAADLO CCC(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCS(=O)(=O)C2)C[C@@H]1O ZINC001083297593 775310386 /nfs/dbraw/zinc/31/03/86/775310386.db2.gz QXAMTFYXVUWGOZ-AXFHLTTASA-N 1 2 290.385 -1.008 20 0 CAADLO CN(C)C(=O)C[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCCNC1=O ZINC001038369369 775310915 /nfs/dbraw/zinc/31/09/15/775310915.db2.gz ZACPZNXMNUDZSI-GHMZBOCLSA-N 1 2 296.371 -1.209 20 0 CAADLO CN(C)C(=O)C[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCCNC1=O ZINC001038369369 775310922 /nfs/dbraw/zinc/31/09/22/775310922.db2.gz ZACPZNXMNUDZSI-GHMZBOCLSA-N 1 2 296.371 -1.209 20 0 CAADLO Cc1nnc(C[NH2+]CCNC(=O)CN2CCOCC2)o1 ZINC001125903950 775311221 /nfs/dbraw/zinc/31/12/21/775311221.db2.gz ZQSLSGJAZHBDJG-UHFFFAOYSA-N 1 2 283.332 -1.084 20 0 CAADLO CC(=O)N1CC(n2cc(C[NH2+]CC(=O)NC(N)=O)nn2)C1 ZINC001105129506 775312382 /nfs/dbraw/zinc/31/23/82/775312382.db2.gz VCAPUIIOGYBRHO-UHFFFAOYSA-N 1 2 295.303 -2.034 20 0 CAADLO CNC(=O)[C@@H](C)[NH2+]Cc1cn(C2CN(C(C)=O)C2)nn1 ZINC001105128897 775312975 /nfs/dbraw/zinc/31/29/75/775312975.db2.gz NZOKMDCDCUWFTA-MRVPVSSYSA-N 1 2 280.332 -1.095 20 0 CAADLO CC(=O)N1CC(n2cc(C[NH2+][C@H](C)C(N)=O)nn2)C1 ZINC001105128104 775313252 /nfs/dbraw/zinc/31/32/52/775313252.db2.gz RXOBJQBFAPSUFF-SSDOTTSWSA-N 1 2 266.305 -1.355 20 0 CAADLO COCC(=O)N1CC(n2cc(C[NH2+][C@H](C)C(N)=O)nn2)C1 ZINC001105120825 775313509 /nfs/dbraw/zinc/31/35/09/775313509.db2.gz OJIVNLXGHTUMCT-MRVPVSSYSA-N 1 2 296.331 -1.729 20 0 CAADLO COCC(=O)N1CC(n2cc(C[NH2+][C@@H](C)C(N)=O)nn2)C1 ZINC001105120826 775313574 /nfs/dbraw/zinc/31/35/74/775313574.db2.gz OJIVNLXGHTUMCT-QMMMGPOBSA-N 1 2 296.331 -1.729 20 0 CAADLO CNC(=O)C[NH2+]Cc1cn(C2CN(C(=O)C3CC3)C2)nn1 ZINC001105129269 775313924 /nfs/dbraw/zinc/31/39/24/775313924.db2.gz RWXCKRSFPYADTL-UHFFFAOYSA-N 1 2 292.343 -1.093 20 0 CAADLO O=C(C[N@@H+]1C[C@@H](NC(=O)C2CC2)[C@@H](O)C1)N1CCOCC1 ZINC001083300216 775315864 /nfs/dbraw/zinc/31/58/64/775315864.db2.gz DXJOBDBPHPJFEJ-NEPJUHHUSA-N 1 2 297.355 -1.584 20 0 CAADLO O=C(C[N@H+]1C[C@@H](NC(=O)C2CC2)[C@@H](O)C1)N1CCOCC1 ZINC001083300216 775315876 /nfs/dbraw/zinc/31/58/76/775315876.db2.gz DXJOBDBPHPJFEJ-NEPJUHHUSA-N 1 2 297.355 -1.584 20 0 CAADLO C[C@H](C(=O)NCC[NH2+]Cc1nc(=O)n(C)[nH]1)n1cncn1 ZINC001125925802 775316358 /nfs/dbraw/zinc/31/63/58/775316358.db2.gz OQBSTMLRQSXADF-MRVPVSSYSA-N 1 2 294.319 -1.833 20 0 CAADLO COC[C@@H](C)OC[C@@H](O)C[NH2+]Cc1nnn(C)n1 ZINC000398055943 775316889 /nfs/dbraw/zinc/31/68/89/775316889.db2.gz YPNLYNQWMISTFZ-BDAKNGLRSA-N 1 2 259.310 -1.288 20 0 CAADLO CCn1nc(C)c(C[NH2+]CCN(CCO)C(=O)C(N)=O)n1 ZINC001279811172 775317379 /nfs/dbraw/zinc/31/73/79/775317379.db2.gz WRHBXEKVXVTZFC-UHFFFAOYSA-N 1 2 298.347 -1.998 20 0 CAADLO O=C(N[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@@H]1O)C1CC1 ZINC001083300733 775317685 /nfs/dbraw/zinc/31/76/85/775317685.db2.gz DXUGWSAIXHIJDF-BBBLOLIVSA-N 1 2 253.302 -1.554 20 0 CAADLO O=C(N[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@@H]1O)C1CC1 ZINC001083300733 775317695 /nfs/dbraw/zinc/31/76/95/775317695.db2.gz DXUGWSAIXHIJDF-BBBLOLIVSA-N 1 2 253.302 -1.554 20 0 CAADLO O=C(N[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@@H]1O)C1CC1 ZINC001083300734 775318335 /nfs/dbraw/zinc/31/83/35/775318335.db2.gz DXUGWSAIXHIJDF-UTLUCORTSA-N 1 2 253.302 -1.554 20 0 CAADLO O=C(N[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@@H]1O)C1CC1 ZINC001083300734 775318347 /nfs/dbraw/zinc/31/83/47/775318347.db2.gz DXUGWSAIXHIJDF-UTLUCORTSA-N 1 2 253.302 -1.554 20 0 CAADLO Cn1nnc(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)n1 ZINC000398078957 775318521 /nfs/dbraw/zinc/31/85/21/775318521.db2.gz LRQVFPOKLYNOQQ-MRVPVSSYSA-N 1 2 282.264 -1.535 20 0 CAADLO CC[C@@]1(C(=O)N[C@@H]2CCC[N@H+](CC(N)=O)C2)CCNC1=O ZINC001267942549 775318869 /nfs/dbraw/zinc/31/88/69/775318869.db2.gz INNBIMNACDIEEC-QMTHXVAHSA-N 1 2 296.371 -1.031 20 0 CAADLO CC[C@@]1(C(=O)N[C@@H]2CCC[N@@H+](CC(N)=O)C2)CCNC1=O ZINC001267942549 775318879 /nfs/dbraw/zinc/31/88/79/775318879.db2.gz INNBIMNACDIEEC-QMTHXVAHSA-N 1 2 296.371 -1.031 20 0 CAADLO O=C(N[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@@H]1O)C1CCC1 ZINC001083302765 775320237 /nfs/dbraw/zinc/32/02/37/775320237.db2.gz VDSGUDFFPIGDHI-MXWKQRLJSA-N 1 2 267.329 -1.164 20 0 CAADLO O=C(N[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@@H]1O)C1CCC1 ZINC001083302765 775320247 /nfs/dbraw/zinc/32/02/47/775320247.db2.gz VDSGUDFFPIGDHI-MXWKQRLJSA-N 1 2 267.329 -1.164 20 0 CAADLO C[C@H]([NH2+]Cc1cn(C2CN(C(=O)C(N)=O)C2)nn1)C(N)=O ZINC001105315240 775320537 /nfs/dbraw/zinc/32/05/37/775320537.db2.gz CVADKMSLHJUFMZ-LURJTMIESA-N 1 2 295.303 -2.890 20 0 CAADLO CC[C@H](F)C[NH2+]Cc1cn(C2CN(C(=O)C(N)=O)C2)nn1 ZINC001105315437 775320810 /nfs/dbraw/zinc/32/08/10/775320810.db2.gz NVWYQGVZBYIOJA-QMMMGPOBSA-N 1 2 298.322 -1.016 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)C2CCOCC2)[C@@H](O)C1 ZINC001083303475 775323968 /nfs/dbraw/zinc/32/39/68/775323968.db2.gz BUESJLVGCKIEQX-GDPRMGEGSA-N 1 2 285.344 -1.552 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)C2CCOCC2)[C@@H](O)C1 ZINC001083303475 775323978 /nfs/dbraw/zinc/32/39/78/775323978.db2.gz BUESJLVGCKIEQX-GDPRMGEGSA-N 1 2 285.344 -1.552 20 0 CAADLO CNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)C2CCOCC2)[C@@H](O)C1 ZINC001083303471 775324745 /nfs/dbraw/zinc/32/47/45/775324745.db2.gz BSQNIWHUFYWZDQ-WCQGTBRESA-N 1 2 299.371 -1.291 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)C2CCOCC2)[C@@H](O)C1 ZINC001083303471 775324754 /nfs/dbraw/zinc/32/47/54/775324754.db2.gz BSQNIWHUFYWZDQ-WCQGTBRESA-N 1 2 299.371 -1.291 20 0 CAADLO Cc1nnc(C[NH2+]CCNC(=O)[C@H]2COCCN2C)o1 ZINC001125960670 775329580 /nfs/dbraw/zinc/32/95/80/775329580.db2.gz NJMODHARQGPTQG-SNVBAGLBSA-N 1 2 283.332 -1.086 20 0 CAADLO NC(=O)CC(=O)NC[C@H]1C[N@H+](CCOCCO)CCO1 ZINC001268017748 775332285 /nfs/dbraw/zinc/33/22/85/775332285.db2.gz FWEWLOKDKMWUFB-JTQLQIEISA-N 1 2 289.332 -2.312 20 0 CAADLO NC(=O)CC(=O)NC[C@H]1C[N@@H+](CCOCCO)CCO1 ZINC001268017748 775332295 /nfs/dbraw/zinc/33/22/95/775332295.db2.gz FWEWLOKDKMWUFB-JTQLQIEISA-N 1 2 289.332 -2.312 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)CC2CC2)[C@@H](O)C1 ZINC001083304894 775332476 /nfs/dbraw/zinc/33/24/76/775332476.db2.gz OUWSYGATPAWPDA-QNSHHTMESA-N 1 2 255.318 -1.178 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)CC2CC2)[C@@H](O)C1 ZINC001083304894 775332488 /nfs/dbraw/zinc/33/24/88/775332488.db2.gz OUWSYGATPAWPDA-QNSHHTMESA-N 1 2 255.318 -1.178 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)CC2CC2)[C@@H](O)C1 ZINC001083304895 775333152 /nfs/dbraw/zinc/33/31/52/775333152.db2.gz OUWSYGATPAWPDA-SFGNSQDASA-N 1 2 255.318 -1.178 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)CC2CC2)[C@@H](O)C1 ZINC001083304895 775333165 /nfs/dbraw/zinc/33/31/65/775333165.db2.gz OUWSYGATPAWPDA-SFGNSQDASA-N 1 2 255.318 -1.178 20 0 CAADLO Cc1ccnc(C[NH2+]CCNC(=O)CN2CN=NC2=O)n1 ZINC001126021251 775339876 /nfs/dbraw/zinc/33/98/76/775339876.db2.gz IVXQYFUELWICHY-UHFFFAOYSA-N 1 2 291.315 -1.012 20 0 CAADLO Cn1[nH]c(C[NH2+]CCNC(=O)CN2CN=NC2=O)nc1=O ZINC001126020858 775340361 /nfs/dbraw/zinc/34/03/61/775340361.db2.gz DDVHSOKMZFTADS-UHFFFAOYSA-N 1 2 296.291 -2.689 20 0 CAADLO O=C(CN1CN=NC1=O)NCC[NH2+]Cc1ncccn1 ZINC001126021762 775341427 /nfs/dbraw/zinc/34/14/27/775341427.db2.gz PNECMIWMOLNJPH-UHFFFAOYSA-N 1 2 277.288 -1.320 20 0 CAADLO O=C(CN1CN=NC1=O)NCC[NH2+]Cc1csnn1 ZINC001126022178 775342519 /nfs/dbraw/zinc/34/25/19/775342519.db2.gz ZPIFYWWMZVCRJY-UHFFFAOYSA-N 1 2 283.317 -1.259 20 0 CAADLO Cn1ncc(C(=O)NCC[NH2+]Cc2cnon2)c1N ZINC001126099024 775347405 /nfs/dbraw/zinc/34/74/05/775347405.db2.gz CZKLWJILDIAVIG-UHFFFAOYSA-N 1 2 265.277 -1.095 20 0 CAADLO O=C(CC1CC1)N[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@@H]1O ZINC001083307781 775349708 /nfs/dbraw/zinc/34/97/08/775349708.db2.gz WEWAJNOBHMJIAA-MXWKQRLJSA-N 1 2 267.329 -1.164 20 0 CAADLO O=C(CC1CC1)N[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@@H]1O ZINC001083307781 775349722 /nfs/dbraw/zinc/34/97/22/775349722.db2.gz WEWAJNOBHMJIAA-MXWKQRLJSA-N 1 2 267.329 -1.164 20 0 CAADLO O=C(CC1CC1)N[C@@H]1C[N@H+]([C@@H]2CCC(=O)NC2=O)C[C@@H]1O ZINC001083307399 775350231 /nfs/dbraw/zinc/35/02/31/775350231.db2.gz CJTDNVWBFBPFEZ-MXWKQRLJSA-N 1 2 295.339 -1.247 20 0 CAADLO O=C(CC1CC1)N[C@@H]1C[N@@H+]([C@@H]2CCC(=O)NC2=O)C[C@@H]1O ZINC001083307399 775350241 /nfs/dbraw/zinc/35/02/41/775350241.db2.gz CJTDNVWBFBPFEZ-MXWKQRLJSA-N 1 2 295.339 -1.247 20 0 CAADLO Cn1[nH]c(C[NH2+]CCNC(=O)C2=CCOCC2)nc1=O ZINC001126114600 775351113 /nfs/dbraw/zinc/35/11/13/775351113.db2.gz MERKXWIMGTZQTG-UHFFFAOYSA-N 1 2 281.316 -1.339 20 0 CAADLO CCc1nnc(C[NH2+]CCNC(=O)CC(=O)NC)o1 ZINC001126161104 775354023 /nfs/dbraw/zinc/35/40/23/775354023.db2.gz FCGBTEANVXJOBB-UHFFFAOYSA-N 1 2 269.305 -1.026 20 0 CAADLO CNC(=O)CC(=O)NCC[NH2+]Cc1nc(CCOC)no1 ZINC001126161722 775355631 /nfs/dbraw/zinc/35/56/31/775355631.db2.gz SUZQTAVIYMCMMF-UHFFFAOYSA-N 1 2 299.331 -1.400 20 0 CAADLO CNC(=O)CC(=O)NCC[NH2+]Cc1nc(N(C)C)no1 ZINC001126162016 775355929 /nfs/dbraw/zinc/35/59/29/775355929.db2.gz XCEQZLZCCQXTJG-UHFFFAOYSA-N 1 2 284.320 -1.523 20 0 CAADLO C[C@H](NC(N)=O)C(=O)NCC[NH2+]Cc1csnn1 ZINC001126199516 775360032 /nfs/dbraw/zinc/36/00/32/775360032.db2.gz UFKSHIGWCFSFGZ-LURJTMIESA-N 1 2 272.334 -1.199 20 0 CAADLO Cc1nonc1C[NH2+]CCNC(=O)[C@H](C)NC(N)=O ZINC001126199595 775360487 /nfs/dbraw/zinc/36/04/87/775360487.db2.gz WVYBBQXMDAOPNA-ZETCQYMHSA-N 1 2 270.293 -1.359 20 0 CAADLO C[C@H](NC(N)=O)C(=O)NCC[NH2+]Cc1nc(N(C)C)no1 ZINC001126199593 775361200 /nfs/dbraw/zinc/36/12/00/775361200.db2.gz WVMQAHHEQRNKFE-ZETCQYMHSA-N 1 2 299.335 -1.602 20 0 CAADLO Cc1nnc(C[NH2+]CCNC(=O)[C@H](C)NC(N)=O)o1 ZINC001126199186 775361235 /nfs/dbraw/zinc/36/12/35/775361235.db2.gz PFJQECFSXKHXCJ-LURJTMIESA-N 1 2 270.293 -1.359 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1COCCO1 ZINC001027766742 775363919 /nfs/dbraw/zinc/36/39/19/775363919.db2.gz VCWNEGJVUDDBAO-VHSXEESVSA-N 1 2 271.317 -1.532 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@H]1CNC(=O)[C@H]1COCCO1 ZINC001027766742 775363925 /nfs/dbraw/zinc/36/39/25/775363925.db2.gz VCWNEGJVUDDBAO-VHSXEESVSA-N 1 2 271.317 -1.532 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1COCCO1 ZINC001027766740 775365111 /nfs/dbraw/zinc/36/51/11/775365111.db2.gz VCWNEGJVUDDBAO-UWVGGRQHSA-N 1 2 271.317 -1.532 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1COCCO1 ZINC001027766740 775365121 /nfs/dbraw/zinc/36/51/21/775365121.db2.gz VCWNEGJVUDDBAO-UWVGGRQHSA-N 1 2 271.317 -1.532 20 0 CAADLO Cn1[nH]c(C[NH2+]CCNC(=O)CC2OCCCO2)nc1=O ZINC001126224545 775366644 /nfs/dbraw/zinc/36/66/44/775366644.db2.gz KSDRONWQEHZCQB-UHFFFAOYSA-N 1 2 299.331 -1.533 20 0 CAADLO CC(=O)N1CC(C(=O)NCC[NH2+]Cc2cnon2)C1 ZINC001126292323 775375062 /nfs/dbraw/zinc/37/50/62/775375062.db2.gz PNKFBGKSIRQQOV-UHFFFAOYSA-N 1 2 267.289 -1.246 20 0 CAADLO Cn1[nH]c(C[NH2+]CCNC(=O)c2cc(=O)n(C)o2)nc1=O ZINC001126301769 775378796 /nfs/dbraw/zinc/37/87/96/775378796.db2.gz FGQVUTHWOQFPGT-UHFFFAOYSA-N 1 2 296.287 -2.080 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CCC[C@@H](NC(=O)C(=O)NCC2CC2)C1 ZINC001268112833 775380543 /nfs/dbraw/zinc/38/05/43/775380543.db2.gz UNGQSHNWDDVTOX-MWLCHTKSSA-N 1 2 296.371 -1.033 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CCC[C@@H](NC(=O)C(=O)NCC2CC2)C1 ZINC001268112833 775380552 /nfs/dbraw/zinc/38/05/52/775380552.db2.gz UNGQSHNWDDVTOX-MWLCHTKSSA-N 1 2 296.371 -1.033 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CCC[C@H](NC(=O)C(C)(C)C(N)=O)C1 ZINC001268193497 775383421 /nfs/dbraw/zinc/38/34/21/775383421.db2.gz MNTBLCZNSWUVFC-BDAKNGLRSA-N 1 2 284.360 -1.048 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CCC[C@H](NC(=O)C(C)(C)C(N)=O)C1 ZINC001268193497 775383429 /nfs/dbraw/zinc/38/34/29/775383429.db2.gz MNTBLCZNSWUVFC-BDAKNGLRSA-N 1 2 284.360 -1.048 20 0 CAADLO CN(C)C(=O)C[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCC(=O)N1 ZINC001038930043 775383924 /nfs/dbraw/zinc/38/39/24/775383924.db2.gz BFPONZOZAHZLEU-ZJUUUORDSA-N 1 2 282.344 -1.456 20 0 CAADLO CN(C)C(=O)C[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCC(=O)N1 ZINC001038930043 775383935 /nfs/dbraw/zinc/38/39/35/775383935.db2.gz BFPONZOZAHZLEU-ZJUUUORDSA-N 1 2 282.344 -1.456 20 0 CAADLO CCNC(=O)CC(=O)N[C@H]1CCC[N@H+](CC(N)=O)C1 ZINC001268185274 775385126 /nfs/dbraw/zinc/38/51/26/775385126.db2.gz ZNIMPOXYUHZONZ-VIFPVBQESA-N 1 2 270.333 -1.422 20 0 CAADLO CCNC(=O)CC(=O)N[C@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001268185274 775385135 /nfs/dbraw/zinc/38/51/35/775385135.db2.gz ZNIMPOXYUHZONZ-VIFPVBQESA-N 1 2 270.333 -1.422 20 0 CAADLO O=C(N[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@@H]1O)C1=COCCO1 ZINC001083322721 775385620 /nfs/dbraw/zinc/38/56/20/775385620.db2.gz WBIMLEZKSSCVEO-BBBLOLIVSA-N 1 2 297.311 -2.076 20 0 CAADLO O=C(N[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@@H]1O)C1=COCCO1 ZINC001083322721 775385629 /nfs/dbraw/zinc/38/56/29/775385629.db2.gz WBIMLEZKSSCVEO-BBBLOLIVSA-N 1 2 297.311 -2.076 20 0 CAADLO CC(=O)N(C)CC(=O)N(C)CC[N@H+](C)CC(N)=O ZINC001268231853 775385653 /nfs/dbraw/zinc/38/56/53/775385653.db2.gz DCZFRVIQEFZDBC-UHFFFAOYSA-N 1 2 258.322 -1.660 20 0 CAADLO CC(=O)N(C)CC(=O)N(C)CC[N@@H+](C)CC(N)=O ZINC001268231853 775385665 /nfs/dbraw/zinc/38/56/65/775385665.db2.gz DCZFRVIQEFZDBC-UHFFFAOYSA-N 1 2 258.322 -1.660 20 0 CAADLO C[C@@H]([NH2+]Cc1nc(=O)n(C)[nH]1)[C@H](C)NC(=O)C(N)=O ZINC001282186261 775385834 /nfs/dbraw/zinc/38/58/34/775385834.db2.gz SVCNDMLNXQXPMA-RITPCOANSA-N 1 2 270.293 -2.424 20 0 CAADLO COCCC(=O)NC1C[NH+](CCCN2C(=O)CNC2=O)C1 ZINC001268240114 775386800 /nfs/dbraw/zinc/38/68/00/775386800.db2.gz VVCNAHGHQJDPDG-UHFFFAOYSA-N 1 2 298.343 -1.235 20 0 CAADLO CN(CC[N@H+](C)CC(N)=O)C(=O)[C@@H]1CCCNC1=O ZINC001268241476 775386842 /nfs/dbraw/zinc/38/68/42/775386842.db2.gz OWXUBWGPLUXXTN-SECBINFHSA-N 1 2 270.333 -1.612 20 0 CAADLO CN(CC[N@@H+](C)CC(N)=O)C(=O)[C@@H]1CCCNC1=O ZINC001268241476 775386854 /nfs/dbraw/zinc/38/68/54/775386854.db2.gz OWXUBWGPLUXXTN-SECBINFHSA-N 1 2 270.333 -1.612 20 0 CAADLO CN(CC[N@H+](C)CC(N)=O)C(=O)c1cncnc1 ZINC001268235015 775387217 /nfs/dbraw/zinc/38/72/17/775387217.db2.gz WCDUHRQUCBNLFU-UHFFFAOYSA-N 1 2 251.290 -1.034 20 0 CAADLO CN(CC[N@@H+](C)CC(N)=O)C(=O)c1cncnc1 ZINC001268235015 775387225 /nfs/dbraw/zinc/38/72/25/775387225.db2.gz WCDUHRQUCBNLFU-UHFFFAOYSA-N 1 2 251.290 -1.034 20 0 CAADLO CN(CC[N@H+](C)CC(N)=O)C(=O)c1ncccn1 ZINC001268251942 775388937 /nfs/dbraw/zinc/38/89/37/775388937.db2.gz LNRBSDCTUYSPPN-UHFFFAOYSA-N 1 2 251.290 -1.034 20 0 CAADLO CN(CC[N@@H+](C)CC(N)=O)C(=O)c1ncccn1 ZINC001268251942 775388946 /nfs/dbraw/zinc/38/89/46/775388946.db2.gz LNRBSDCTUYSPPN-UHFFFAOYSA-N 1 2 251.290 -1.034 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(NC(=O)c2cc[n+]([O-])cc2)C1 ZINC001268248573 775389104 /nfs/dbraw/zinc/38/91/04/775389104.db2.gz NBCZDQGRERURDT-LBPRGKRZSA-N 1 2 281.312 -1.259 20 0 CAADLO Cc1cc(NC(=O)C(=O)N(C)CC[N@H+](C)CC(N)=O)no1 ZINC001268256021 775389375 /nfs/dbraw/zinc/38/93/75/775389375.db2.gz AYWOIZFWTBKHBY-UHFFFAOYSA-N 1 2 297.315 -1.203 20 0 CAADLO Cc1cc(NC(=O)C(=O)N(C)CC[N@@H+](C)CC(N)=O)no1 ZINC001268256021 775389388 /nfs/dbraw/zinc/38/93/88/775389388.db2.gz AYWOIZFWTBKHBY-UHFFFAOYSA-N 1 2 297.315 -1.203 20 0 CAADLO CNC(=O)C[N@H+](C)CCN(C)C(=O)Cn1cncn1 ZINC001268256164 775389613 /nfs/dbraw/zinc/38/96/13/775389613.db2.gz KIWMAOGMMTYVHJ-UHFFFAOYSA-N 1 2 268.321 -1.586 20 0 CAADLO CNC(=O)C[N@@H+](C)CCN(C)C(=O)Cn1cncn1 ZINC001268256164 775389619 /nfs/dbraw/zinc/38/96/19/775389619.db2.gz KIWMAOGMMTYVHJ-UHFFFAOYSA-N 1 2 268.321 -1.586 20 0 CAADLO COCCOCC[NH+]1CC(NC(=O)[C@@H]2CCNC(=O)C2)C1 ZINC001268278715 775390333 /nfs/dbraw/zinc/39/03/33/775390333.db2.gz AFHPNNJNPOJPSI-LLVKDONJSA-N 1 2 299.371 -1.024 20 0 CAADLO COCCOCC[NH+]1CC(NC(=O)[C@H]2CCNC(=O)C2)C1 ZINC001268278719 775391647 /nfs/dbraw/zinc/39/16/47/775391647.db2.gz AFHPNNJNPOJPSI-NSHDSACASA-N 1 2 299.371 -1.024 20 0 CAADLO C[C@@H](CC(=O)NC1C[NH+](CCOCCO)C1)NC(N)=O ZINC001268309268 775396135 /nfs/dbraw/zinc/39/61/35/775396135.db2.gz HNODGZLDMKMOCA-VIFPVBQESA-N 1 2 288.348 -1.757 20 0 CAADLO COCCOCC[NH+]1CC(NC(=O)[C@H]2CC(=O)N(C)C2)C1 ZINC001268310346 775397962 /nfs/dbraw/zinc/39/79/62/775397962.db2.gz HMWCPGLFQMAMJO-NSHDSACASA-N 1 2 299.371 -1.072 20 0 CAADLO CO[C@@H]1C[N@@H+](CCF)C[C@H]1NC(=O)CNC(C)=O ZINC001211776698 775423757 /nfs/dbraw/zinc/42/37/57/775423757.db2.gz OYZHDNUMTOMCGI-NXEZZACHSA-N 1 2 261.297 -1.093 20 0 CAADLO O=C(Cn1ncnn1)NC1C[NH+](CCOCC2CC2)C1 ZINC001268309677 775398795 /nfs/dbraw/zinc/39/87/95/775398795.db2.gz NREUOMUUQKRHQP-UHFFFAOYSA-N 1 2 280.332 -1.100 20 0 CAADLO CCOCC[NH+]1CC(NC(=O)CNC(=O)NC)C1 ZINC001268316918 775401415 /nfs/dbraw/zinc/40/14/15/775401415.db2.gz CZBDHKKHACENIT-UHFFFAOYSA-N 1 2 258.322 -1.248 20 0 CAADLO NC(=O)C1(C(=O)NC[C@H](O)C[NH2+]Cc2cnsn2)CC1 ZINC001268324710 775403117 /nfs/dbraw/zinc/40/31/17/775403117.db2.gz WJBKNXQYIFMRCH-MRVPVSSYSA-N 1 2 299.356 -1.630 20 0 CAADLO COC[C@@H](CO)NS(=O)(=O)N1CC[NH+](C)CC1 ZINC001211716454 775404911 /nfs/dbraw/zinc/40/49/11/775404911.db2.gz PEOHVDOSBMKOLZ-SECBINFHSA-N 1 2 267.351 -1.925 20 0 CAADLO NC(=O)CN1CC[NH+](CCN2C(=O)CNC2=O)CC1 ZINC001167903003 775409338 /nfs/dbraw/zinc/40/93/38/775409338.db2.gz BEUKCHOIKHUZIE-UHFFFAOYSA-N 1 2 269.305 -2.359 20 0 CAADLO C[C@@H](CC[NH2+]Cc1nc(=O)n(C)[nH]1)NC(=O)c1cn[nH]n1 ZINC001268380329 775411437 /nfs/dbraw/zinc/41/14/37/775411437.db2.gz RLPZDGSALWWYEK-ZETCQYMHSA-N 1 2 294.319 -1.475 20 0 CAADLO C[C@@H](CC[NH2+]Cc1nc(=O)n(C)[nH]1)NC(=O)c1cnn[nH]1 ZINC001268380329 775411444 /nfs/dbraw/zinc/41/14/44/775411444.db2.gz RLPZDGSALWWYEK-ZETCQYMHSA-N 1 2 294.319 -1.475 20 0 CAADLO COC[C@H](O)C[NH+]1CC(NC(=O)[C@]2(C)CCNC2=O)C1 ZINC001268447313 775414765 /nfs/dbraw/zinc/41/47/65/775414765.db2.gz SBIHUYQNKFLDNU-ZWNOBZJWSA-N 1 2 285.344 -1.680 20 0 CAADLO COCCC(=O)NCCN(CCO)C(=O)Cc1c[nH+]c[nH]1 ZINC001058948232 775416118 /nfs/dbraw/zinc/41/61/18/775416118.db2.gz POGDLUTWEVVRQV-UHFFFAOYSA-N 1 2 298.343 -1.074 20 0 CAADLO CCOCC(=O)NCCN(CCO)C(=O)Cc1c[nH+]c[nH]1 ZINC001058948081 775416153 /nfs/dbraw/zinc/41/61/53/775416153.db2.gz JYPTYXZTYDSMQY-UHFFFAOYSA-N 1 2 298.343 -1.074 20 0 CAADLO CC(=O)NCCN(CCO)C(=O)Cc1c[nH+]c[nH]1 ZINC001058948263 775416253 /nfs/dbraw/zinc/41/62/53/775416253.db2.gz QXICWJQHLBNHGS-UHFFFAOYSA-N 1 2 254.290 -1.091 20 0 CAADLO COCC(=O)NCCN(CCO)C(=O)Cc1c[nH+]c[nH]1 ZINC001058947233 775416555 /nfs/dbraw/zinc/41/65/55/775416555.db2.gz RNVRQJOSGWQNFA-UHFFFAOYSA-N 1 2 284.316 -1.464 20 0 CAADLO COCCCNC(=O)C[N@@H+]1C[C@@H](NC(C)=O)[C@H](OC)C1 ZINC001211746104 775417429 /nfs/dbraw/zinc/41/74/29/775417429.db2.gz QZNHENVGFXYJQB-VXGBXAGGSA-N 1 2 287.360 -1.026 20 0 CAADLO COCCCNC(=O)C[N@H+]1C[C@@H](NC(C)=O)[C@H](OC)C1 ZINC001211746104 775417433 /nfs/dbraw/zinc/41/74/33/775417433.db2.gz QZNHENVGFXYJQB-VXGBXAGGSA-N 1 2 287.360 -1.026 20 0 CAADLO CO[C@@H]1C[N@H+](CCN(C)S(C)(=O)=O)C[C@H]1NC(C)=O ZINC001211738360 775417916 /nfs/dbraw/zinc/41/79/16/775417916.db2.gz BHSRMMARRQBZKY-GHMZBOCLSA-N 1 2 293.389 -1.287 20 0 CAADLO CO[C@@H]1C[N@@H+](CCN(C)S(C)(=O)=O)C[C@H]1NC(C)=O ZINC001211738360 775417923 /nfs/dbraw/zinc/41/79/23/775417923.db2.gz BHSRMMARRQBZKY-GHMZBOCLSA-N 1 2 293.389 -1.287 20 0 CAADLO CCC(=O)N[C@@H]1C[N@H+](CCNS(C)(=O)=O)C[C@H]1OC ZINC001211741581 775417978 /nfs/dbraw/zinc/41/79/78/775417978.db2.gz OSNYNZDXHCDKFN-NXEZZACHSA-N 1 2 293.389 -1.239 20 0 CAADLO CCC(=O)N[C@@H]1C[N@@H+](CCNS(C)(=O)=O)C[C@H]1OC ZINC001211741581 775417986 /nfs/dbraw/zinc/41/79/86/775417986.db2.gz OSNYNZDXHCDKFN-NXEZZACHSA-N 1 2 293.389 -1.239 20 0 CAADLO CO[C@@H]1C[N@H+](CC(=O)NC[C@@H]2CCOC2)C[C@H]1NC(C)=O ZINC001211738678 775418339 /nfs/dbraw/zinc/41/83/39/775418339.db2.gz NOLRJXZFVCKEQS-YNEHKIRRSA-N 1 2 299.371 -1.026 20 0 CAADLO CO[C@@H]1C[N@@H+](CC(=O)NC[C@@H]2CCOC2)C[C@H]1NC(C)=O ZINC001211738678 775418347 /nfs/dbraw/zinc/41/83/47/775418347.db2.gz NOLRJXZFVCKEQS-YNEHKIRRSA-N 1 2 299.371 -1.026 20 0 CAADLO COCCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(N)=O)C[C@H]1OC ZINC001211745770 775418799 /nfs/dbraw/zinc/41/87/99/775418799.db2.gz IWYYAMFPHZWQNF-IVZWLZJFSA-N 1 2 273.333 -1.288 20 0 CAADLO COCCC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(N)=O)C[C@H]1OC ZINC001211745770 775418803 /nfs/dbraw/zinc/41/88/03/775418803.db2.gz IWYYAMFPHZWQNF-IVZWLZJFSA-N 1 2 273.333 -1.288 20 0 CAADLO CCN(CC[NH2+]Cc1nnc(C)[nH]1)C(=O)C(N)=O ZINC001268475582 775419853 /nfs/dbraw/zinc/41/98/53/775419853.db2.gz HGKYOSPOMYNSCD-UHFFFAOYSA-N 1 2 254.294 -1.463 20 0 CAADLO COCC(=O)N[C@@H]1C[N@H+](CC(=O)NC(C)C)C[C@H]1OC ZINC001211747954 775420297 /nfs/dbraw/zinc/42/02/97/775420297.db2.gz GTYZYNFJIYCZCZ-GHMZBOCLSA-N 1 2 287.360 -1.027 20 0 CAADLO COCC(=O)N[C@@H]1C[N@@H+](CC(=O)NC(C)C)C[C@H]1OC ZINC001211747954 775420302 /nfs/dbraw/zinc/42/03/02/775420302.db2.gz GTYZYNFJIYCZCZ-GHMZBOCLSA-N 1 2 287.360 -1.027 20 0 CAADLO COCC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@H]1OC ZINC001211748196 775420343 /nfs/dbraw/zinc/42/03/43/775420343.db2.gz RLTGIRVUMYFVSJ-OPRDCNLKSA-N 1 2 271.317 -1.663 20 0 CAADLO COCC(=O)N[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@H]1OC ZINC001211748196 775420347 /nfs/dbraw/zinc/42/03/47/775420347.db2.gz RLTGIRVUMYFVSJ-OPRDCNLKSA-N 1 2 271.317 -1.663 20 0 CAADLO COCC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCCNC2=O)C[C@H]1OC ZINC001211750110 775420411 /nfs/dbraw/zinc/42/04/11/775420411.db2.gz IMQAPLOASXZMBF-GMTAPVOTSA-N 1 2 285.344 -1.273 20 0 CAADLO COCC(=O)N[C@@H]1C[N@H+]([C@@H]2CCCNC2=O)C[C@H]1OC ZINC001211750110 775420417 /nfs/dbraw/zinc/42/04/17/775420417.db2.gz IMQAPLOASXZMBF-GMTAPVOTSA-N 1 2 285.344 -1.273 20 0 CAADLO COCC(=O)N[C@@H]1C[N@@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1OC ZINC001211749750 775420685 /nfs/dbraw/zinc/42/06/85/775420685.db2.gz AHAMQSNIOFKDQG-KXUCPTDWSA-N 1 2 299.327 -1.747 20 0 CAADLO COCC(=O)N[C@@H]1C[N@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1OC ZINC001211749750 775420690 /nfs/dbraw/zinc/42/06/90/775420690.db2.gz AHAMQSNIOFKDQG-KXUCPTDWSA-N 1 2 299.327 -1.747 20 0 CAADLO COCCC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@H]1OC ZINC001211755158 775421284 /nfs/dbraw/zinc/42/12/84/775421284.db2.gz YRNREOKYZWABCP-GMTAPVOTSA-N 1 2 285.344 -1.273 20 0 CAADLO COCCC(=O)N[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@H]1OC ZINC001211755158 775421290 /nfs/dbraw/zinc/42/12/90/775421290.db2.gz YRNREOKYZWABCP-GMTAPVOTSA-N 1 2 285.344 -1.273 20 0 CAADLO O=C(CC[C@@H]1NC(=O)NC1=O)NC1C[NH+](CCCO)C1 ZINC001268481702 775421394 /nfs/dbraw/zinc/42/13/94/775421394.db2.gz HEUBVTRLPKFFLW-VIFPVBQESA-N 1 2 284.316 -1.843 20 0 CAADLO O=C(Cn1cnnn1)N[C@@H]1C[N@@H+](CCF)C[C@@H]1O ZINC001083328832 775421539 /nfs/dbraw/zinc/42/15/39/775421539.db2.gz HFBMEXQUVNGDBA-SFYZADRCSA-N 1 2 258.257 -2.196 20 0 CAADLO O=C(Cn1cnnn1)N[C@@H]1C[N@H+](CCF)C[C@@H]1O ZINC001083328832 775421543 /nfs/dbraw/zinc/42/15/43/775421543.db2.gz HFBMEXQUVNGDBA-SFYZADRCSA-N 1 2 258.257 -2.196 20 0 CAADLO CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)CCOC)[C@H](OC)C1 ZINC001211754679 775421832 /nfs/dbraw/zinc/42/18/32/775421832.db2.gz IDEDWMQHGHMEPK-GHMZBOCLSA-N 1 2 287.360 -1.026 20 0 CAADLO CCNC(=O)C[N@H+]1C[C@@H](NC(=O)CCOC)[C@H](OC)C1 ZINC001211754679 775421837 /nfs/dbraw/zinc/42/18/37/775421837.db2.gz IDEDWMQHGHMEPK-GHMZBOCLSA-N 1 2 287.360 -1.026 20 0 CAADLO C[C@H](O)C[NH+]1CC(NC(=O)CCCN2C(=O)CNC2=O)C1 ZINC001268481929 775421940 /nfs/dbraw/zinc/42/19/40/775421940.db2.gz LDDBXWAOJDCNQZ-VIFPVBQESA-N 1 2 298.343 -1.500 20 0 CAADLO COCC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCN(C)C2=O)C[C@H]1OC ZINC001211751583 775422164 /nfs/dbraw/zinc/42/21/64/775422164.db2.gz BAHYTNXIPHPPSO-GMTAPVOTSA-N 1 2 285.344 -1.321 20 0 CAADLO COCC(=O)N[C@@H]1C[N@H+]([C@@H]2CCN(C)C2=O)C[C@H]1OC ZINC001211751583 775422168 /nfs/dbraw/zinc/42/21/68/775422168.db2.gz BAHYTNXIPHPPSO-GMTAPVOTSA-N 1 2 285.344 -1.321 20 0 CAADLO CC[C@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)COC)[C@H](OC)C1 ZINC001211751925 775422234 /nfs/dbraw/zinc/42/22/34/775422234.db2.gz HPCJADBTSFTFDH-OPRDCNLKSA-N 1 2 273.333 -1.288 20 0 CAADLO CC[C@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)COC)[C@H](OC)C1 ZINC001211751925 775422243 /nfs/dbraw/zinc/42/22/43/775422243.db2.gz HPCJADBTSFTFDH-OPRDCNLKSA-N 1 2 273.333 -1.288 20 0 CAADLO COCCC(=O)N[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]1OC ZINC001211755080 775422712 /nfs/dbraw/zinc/42/27/12/775422712.db2.gz WHQDLHOEHBATCP-GHMZBOCLSA-N 1 2 287.360 -1.074 20 0 CAADLO COCCC(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1OC ZINC001211755080 775422719 /nfs/dbraw/zinc/42/27/19/775422719.db2.gz WHQDLHOEHBATCP-GHMZBOCLSA-N 1 2 287.360 -1.074 20 0 CAADLO CO[C@@H]1C[N@H+](CCF)C[C@H]1NC(=O)CNC(C)=O ZINC001211776698 775423752 /nfs/dbraw/zinc/42/37/52/775423752.db2.gz OYZHDNUMTOMCGI-NXEZZACHSA-N 1 2 261.297 -1.093 20 0 CAADLO Cc1c(C(=O)N2CC[C@H]3C[N@H+](CC(N)=O)C[C@H]32)nnn1C ZINC001075640565 775423715 /nfs/dbraw/zinc/42/37/15/775423715.db2.gz QMMSJSGGVLNMOA-VHSXEESVSA-N 1 2 292.343 -1.245 20 0 CAADLO Cc1c(C(=O)N2CC[C@H]3C[N@@H+](CC(N)=O)C[C@H]32)nnn1C ZINC001075640565 775423723 /nfs/dbraw/zinc/42/37/23/775423723.db2.gz QMMSJSGGVLNMOA-VHSXEESVSA-N 1 2 292.343 -1.245 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)Cn2cnnn2)[C@@H](O)C1 ZINC001083329145 775424059 /nfs/dbraw/zinc/42/40/59/775424059.db2.gz WEHRBXIIJKRPQA-PRJMDXOYSA-N 1 2 283.292 -3.292 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)Cn2cnnn2)[C@@H](O)C1 ZINC001083329145 775424065 /nfs/dbraw/zinc/42/40/65/775424065.db2.gz WEHRBXIIJKRPQA-PRJMDXOYSA-N 1 2 283.292 -3.292 20 0 CAADLO Cn1[nH]c(C[NH2+]CC=CCNC(=O)c2ccn[nH]2)nc1=O ZINC001268513819 775425457 /nfs/dbraw/zinc/42/54/57/775425457.db2.gz KNNDIYXGMUKVBE-NSCUHMNNSA-N 1 2 291.315 -1.093 20 0 CAADLO CO[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1NC(=O)C=C(C)C ZINC001211808171 775426077 /nfs/dbraw/zinc/42/60/77/775426077.db2.gz TYFYQWLLXRRLLY-NXEZZACHSA-N 1 2 298.343 -1.037 20 0 CAADLO CO[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1NC(=O)C=C(C)C ZINC001211808171 775426081 /nfs/dbraw/zinc/42/60/81/775426081.db2.gz TYFYQWLLXRRLLY-NXEZZACHSA-N 1 2 298.343 -1.037 20 0 CAADLO O=C(NCC=CC[NH2+]Cc1cnon1)[C@@H]1COC(=O)N1 ZINC001268533984 775427614 /nfs/dbraw/zinc/42/76/14/775427614.db2.gz BAAKUUSLDGQLNS-IYABHPQVSA-N 1 2 281.272 -1.060 20 0 CAADLO CN(C)C(=O)C[N@H+]1C[C@@H](NC(=O)Cn2cnnn2)[C@@H](O)C1 ZINC001083329437 775427792 /nfs/dbraw/zinc/42/77/92/775427792.db2.gz IRERDHDMJQULAY-BDAKNGLRSA-N 1 2 297.319 -3.077 20 0 CAADLO CN(C)C(=O)C[N@@H+]1C[C@@H](NC(=O)Cn2cnnn2)[C@@H](O)C1 ZINC001083329437 775427795 /nfs/dbraw/zinc/42/77/95/775427795.db2.gz IRERDHDMJQULAY-BDAKNGLRSA-N 1 2 297.319 -3.077 20 0 CAADLO Cn1ncnc1C[NH2+]C/C=C/CNC(=O)Cn1ncnn1 ZINC001268538515 775429211 /nfs/dbraw/zinc/42/92/11/775429211.db2.gz KTDRLDBTAAZOCJ-NSCUHMNNSA-N 1 2 291.319 -1.736 20 0 CAADLO O=c1[nH]cc2[nH]c([NH2+]C(CO)(CO)CO)ccc1-2 ZINC001167924578 775434702 /nfs/dbraw/zinc/43/47/02/775434702.db2.gz ZYCCLTGTOHZFPU-UHFFFAOYSA-N 1 2 253.258 -1.547 20 0 CAADLO C[C@@H](CC(N)=O)C(=O)NC/C=C/C[NH2+]Cc1nnnn1C ZINC001268572318 775434815 /nfs/dbraw/zinc/43/48/15/775434815.db2.gz KVBZORGZQOVKSC-NWALNABHSA-N 1 2 295.347 -1.516 20 0 CAADLO Cn1ncc2c1nc[nH+]c2N[C@H]1CCN(C(=O)C(N)=O)C1 ZINC001059040996 775438674 /nfs/dbraw/zinc/43/86/74/775438674.db2.gz APODYRGMHIZWPN-ZETCQYMHSA-N 1 2 289.299 -1.139 20 0 CAADLO O=C(NCC=CC[NH2+]Cc1ncccn1)[C@@H]1CNC(=O)N1 ZINC001268587181 775439112 /nfs/dbraw/zinc/43/91/12/775439112.db2.gz TVOVLISOYGATQI-YOLVWIGZSA-N 1 2 290.327 -1.080 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)c2cnn(C)c2)[C@@H](O)C1 ZINC001083333625 775440225 /nfs/dbraw/zinc/44/02/25/775440225.db2.gz DNJOSBXBCFCFNT-IEBDPFPHSA-N 1 2 295.343 -1.671 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2cnn(C)c2)[C@@H](O)C1 ZINC001083333625 775440231 /nfs/dbraw/zinc/44/02/31/775440231.db2.gz DNJOSBXBCFCFNT-IEBDPFPHSA-N 1 2 295.343 -1.671 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)CN2CCCC2=O)[C@@H](O)C1 ZINC001083331436 775440926 /nfs/dbraw/zinc/44/09/26/775440926.db2.gz IKLWBEXMZQQDHV-BBBLOLIVSA-N 1 2 298.343 -2.356 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)CN2CCCC2=O)[C@@H](O)C1 ZINC001083331436 775440930 /nfs/dbraw/zinc/44/09/30/775440930.db2.gz IKLWBEXMZQQDHV-BBBLOLIVSA-N 1 2 298.343 -2.356 20 0 CAADLO O=C(N[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@@H]1O)c1ccc[nH]1 ZINC001083337015 775441343 /nfs/dbraw/zinc/44/13/43/775441343.db2.gz XYALYXSTJWDNPQ-VWYCJHECSA-N 1 2 278.312 -1.322 20 0 CAADLO O=C(N[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@@H]1O)c1ccc[nH]1 ZINC001083337015 775441353 /nfs/dbraw/zinc/44/13/53/775441353.db2.gz XYALYXSTJWDNPQ-VWYCJHECSA-N 1 2 278.312 -1.322 20 0 CAADLO CC(C)C(=O)N[C@@H]1C[N@@H+]([C@@H]2CCC(=O)NC2=O)C[C@@H]1O ZINC001083344743 775441660 /nfs/dbraw/zinc/44/16/60/775441660.db2.gz DSZRTGWTBSDKLS-BBBLOLIVSA-N 1 2 283.328 -1.391 20 0 CAADLO CC(C)C(=O)N[C@@H]1C[N@H+]([C@@H]2CCC(=O)NC2=O)C[C@@H]1O ZINC001083344743 775441671 /nfs/dbraw/zinc/44/16/71/775441671.db2.gz DSZRTGWTBSDKLS-BBBLOLIVSA-N 1 2 283.328 -1.391 20 0 CAADLO O=C(Cn1cccn1)N[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@@H]1O ZINC001083339838 775441816 /nfs/dbraw/zinc/44/18/16/775441816.db2.gz DGHATHKOZNOPOF-MXWKQRLJSA-N 1 2 293.327 -2.067 20 0 CAADLO O=C(Cn1cccn1)N[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@@H]1O ZINC001083339838 775441819 /nfs/dbraw/zinc/44/18/19/775441819.db2.gz DGHATHKOZNOPOF-MXWKQRLJSA-N 1 2 293.327 -2.067 20 0 CAADLO CNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)Cn2cccn2)[C@@H](O)C1 ZINC001083340666 775442235 /nfs/dbraw/zinc/44/22/35/775442235.db2.gz OYWIVPPELVVEHI-AXFHLTTASA-N 1 2 295.343 -1.821 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)Cn2cccn2)[C@@H](O)C1 ZINC001083340666 775442240 /nfs/dbraw/zinc/44/22/40/775442240.db2.gz OYWIVPPELVVEHI-AXFHLTTASA-N 1 2 295.343 -1.821 20 0 CAADLO O=C(N[C@@H]1C[N@H+]([C@@H]2CCCNC2=O)C[C@@H]1O)c1ccn[nH]1 ZINC001083348575 775442522 /nfs/dbraw/zinc/44/25/22/775442522.db2.gz PNSPBIBGRJFHCM-MXWKQRLJSA-N 1 2 293.327 -1.537 20 0 CAADLO O=C(N[C@@H]1C[N@@H+]([C@@H]2CCCNC2=O)C[C@@H]1O)c1ccn[nH]1 ZINC001083348575 775442527 /nfs/dbraw/zinc/44/25/27/775442527.db2.gz PNSPBIBGRJFHCM-MXWKQRLJSA-N 1 2 293.327 -1.537 20 0 CAADLO Cn1cccc1C(=O)N[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@@H]1O ZINC001083344453 775442629 /nfs/dbraw/zinc/44/26/29/775442629.db2.gz PZQIFDPLJKNJHH-JLLWLGSASA-N 1 2 292.339 -1.312 20 0 CAADLO Cn1cccc1C(=O)N[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@@H]1O ZINC001083344453 775442632 /nfs/dbraw/zinc/44/26/32/775442632.db2.gz PZQIFDPLJKNJHH-JLLWLGSASA-N 1 2 292.339 -1.312 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)c2ccc[nH]2)[C@@H](O)C1 ZINC001083337385 775442673 /nfs/dbraw/zinc/44/26/73/775442673.db2.gz PPQIIRSWBYIFGT-IEBDPFPHSA-N 1 2 280.328 -1.076 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2ccc[nH]2)[C@@H](O)C1 ZINC001083337385 775442679 /nfs/dbraw/zinc/44/26/79/775442679.db2.gz PPQIIRSWBYIFGT-IEBDPFPHSA-N 1 2 280.328 -1.076 20 0 CAADLO CNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)c2cccn2C)[C@@H](O)C1 ZINC001083344519 775443024 /nfs/dbraw/zinc/44/30/24/775443024.db2.gz UNCBOEABXCWVHV-UMNHJUIQSA-N 1 2 294.355 -1.066 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2cccn2C)[C@@H](O)C1 ZINC001083344519 775443032 /nfs/dbraw/zinc/44/30/32/775443032.db2.gz UNCBOEABXCWVHV-UMNHJUIQSA-N 1 2 294.355 -1.066 20 0 CAADLO CC[C@@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)c2ccn[nH]2)[C@@H](O)C1 ZINC001083348955 775445084 /nfs/dbraw/zinc/44/50/84/775445084.db2.gz FYVMEARJWPVYII-UTLUCORTSA-N 1 2 281.316 -1.552 20 0 CAADLO CC[C@@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)c2ccn[nH]2)[C@@H](O)C1 ZINC001083348955 775445090 /nfs/dbraw/zinc/44/50/90/775445090.db2.gz FYVMEARJWPVYII-UTLUCORTSA-N 1 2 281.316 -1.552 20 0 CAADLO CC[C@@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)c2cc(C)n[nH]2)[C@@H](O)C1 ZINC001083357499 775446429 /nfs/dbraw/zinc/44/64/29/775446429.db2.gz RCQCMVYCGFAANF-VWYCJHECSA-N 1 2 295.343 -1.243 20 0 CAADLO CC[C@@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)c2cc(C)n[nH]2)[C@@H](O)C1 ZINC001083357499 775446441 /nfs/dbraw/zinc/44/64/41/775446441.db2.gz RCQCMVYCGFAANF-VWYCJHECSA-N 1 2 295.343 -1.243 20 0 CAADLO CC[C@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)c2cc(C)n[nH]2)[C@@H](O)C1 ZINC001083357498 775446556 /nfs/dbraw/zinc/44/65/56/775446556.db2.gz RCQCMVYCGFAANF-MXWKQRLJSA-N 1 2 295.343 -1.243 20 0 CAADLO CC[C@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)c2cc(C)n[nH]2)[C@@H](O)C1 ZINC001083357498 775446562 /nfs/dbraw/zinc/44/65/62/775446562.db2.gz RCQCMVYCGFAANF-MXWKQRLJSA-N 1 2 295.343 -1.243 20 0 CAADLO C[C@H](O)C[N@H+]1C[C@@H](NC(=O)c2cnns2)[C@@H](O)C1 ZINC001083355796 775447175 /nfs/dbraw/zinc/44/71/75/775447175.db2.gz OEVIBTFUTVCFNG-RNJXMRFFSA-N 1 2 272.330 -1.306 20 0 CAADLO C[C@H](O)C[N@@H+]1C[C@@H](NC(=O)c2cnns2)[C@@H](O)C1 ZINC001083355796 775447180 /nfs/dbraw/zinc/44/71/80/775447180.db2.gz OEVIBTFUTVCFNG-RNJXMRFFSA-N 1 2 272.330 -1.306 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)c2cn[nH]c2)[C@@H](O)C1 ZINC001083353531 775447275 /nfs/dbraw/zinc/44/72/75/775447275.db2.gz JHLTUHMNTGYMFT-QNSHHTMESA-N 1 2 281.316 -1.681 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2cn[nH]c2)[C@@H](O)C1 ZINC001083353531 775447277 /nfs/dbraw/zinc/44/72/77/775447277.db2.gz JHLTUHMNTGYMFT-QNSHHTMESA-N 1 2 281.316 -1.681 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)c2cc(C)n[nH]2)[C@@H](O)C1 ZINC001083357598 775448208 /nfs/dbraw/zinc/44/82/08/775448208.db2.gz XCEPYJSVTRFALG-IEBDPFPHSA-N 1 2 295.343 -1.372 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2cc(C)n[nH]2)[C@@H](O)C1 ZINC001083357598 775448217 /nfs/dbraw/zinc/44/82/17/775448217.db2.gz XCEPYJSVTRFALG-IEBDPFPHSA-N 1 2 295.343 -1.372 20 0 CAADLO CN(C)C(=O)C[N@H+]1C[C@@H](NC(=O)[C@@H]2CCOC2)[C@@H](O)C1 ZINC001083361507 775449243 /nfs/dbraw/zinc/44/92/43/775449243.db2.gz SRCJOBSTQXMHEP-MXWKQRLJSA-N 1 2 285.344 -1.728 20 0 CAADLO CN(C)C(=O)C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCOC2)[C@@H](O)C1 ZINC001083361507 775449247 /nfs/dbraw/zinc/44/92/47/775449247.db2.gz SRCJOBSTQXMHEP-MXWKQRLJSA-N 1 2 285.344 -1.728 20 0 CAADLO CNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)c2cc(C)n[nH]2)[C@@H](O)C1 ZINC001083357597 775449276 /nfs/dbraw/zinc/44/92/76/775449276.db2.gz XCEPYJSVTRFALG-GDPRMGEGSA-N 1 2 295.343 -1.372 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2cc(C)n[nH]2)[C@@H](O)C1 ZINC001083357597 775449280 /nfs/dbraw/zinc/44/92/80/775449280.db2.gz XCEPYJSVTRFALG-GDPRMGEGSA-N 1 2 295.343 -1.372 20 0 CAADLO CN(C)C(=O)C[N@H+]1C[C@@H](NC(=O)[C@H]2CCOC2)[C@@H](O)C1 ZINC001083361506 775449374 /nfs/dbraw/zinc/44/93/74/775449374.db2.gz SRCJOBSTQXMHEP-AXFHLTTASA-N 1 2 285.344 -1.728 20 0 CAADLO CN(C)C(=O)C[N@@H+]1C[C@@H](NC(=O)[C@H]2CCOC2)[C@@H](O)C1 ZINC001083361506 775449379 /nfs/dbraw/zinc/44/93/79/775449379.db2.gz SRCJOBSTQXMHEP-AXFHLTTASA-N 1 2 285.344 -1.728 20 0 CAADLO O=C(N[C@@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O)c1cocn1 ZINC001083370073 775450617 /nfs/dbraw/zinc/45/06/17/775450617.db2.gz BNGXAMHQYHVRFI-KOLCDFICSA-N 1 2 292.299 -1.259 20 0 CAADLO O=C(N[C@@H]1C[N@H+](CCn2cncn2)C[C@@H]1O)c1cocn1 ZINC001083370073 775450620 /nfs/dbraw/zinc/45/06/20/775450620.db2.gz BNGXAMHQYHVRFI-KOLCDFICSA-N 1 2 292.299 -1.259 20 0 CAADLO CC[C@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)c2ccnn2C)[C@@H](O)C1 ZINC001083365251 775450822 /nfs/dbraw/zinc/45/08/22/775450822.db2.gz DMHGZYZNXZFXMQ-KKZNHRDASA-N 1 2 295.343 -1.541 20 0 CAADLO CC[C@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)c2ccnn2C)[C@@H](O)C1 ZINC001083365251 775450826 /nfs/dbraw/zinc/45/08/26/775450826.db2.gz DMHGZYZNXZFXMQ-KKZNHRDASA-N 1 2 295.343 -1.541 20 0 CAADLO O=C(N[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@@H]1O)C1=COCCC1 ZINC001083366878 775450863 /nfs/dbraw/zinc/45/08/63/775450863.db2.gz DFDLVTDYXJGYGM-UTUOFQBUSA-N 1 2 295.339 -1.270 20 0 CAADLO O=C(N[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@@H]1O)C1=COCCC1 ZINC001083366878 775450867 /nfs/dbraw/zinc/45/08/67/775450867.db2.gz DFDLVTDYXJGYGM-UTUOFQBUSA-N 1 2 295.339 -1.270 20 0 CAADLO CN(C)C(=O)C[N@H+]1C[C@@H](NC(=O)[C@H]2CCCOC2)[C@@H](O)C1 ZINC001083368827 775451410 /nfs/dbraw/zinc/45/14/10/775451410.db2.gz YBIFWFIBPJWFSX-TUAOUCFPSA-N 1 2 299.371 -1.338 20 0 CAADLO CN(C)C(=O)C[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCOC2)[C@@H](O)C1 ZINC001083368827 775451418 /nfs/dbraw/zinc/45/14/18/775451418.db2.gz YBIFWFIBPJWFSX-TUAOUCFPSA-N 1 2 299.371 -1.338 20 0 CAADLO CC[C@@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)c2cnc(C)[nH]2)[C@@H](O)C1 ZINC001083372353 775452495 /nfs/dbraw/zinc/45/24/95/775452495.db2.gz LZQUSAASAZCYAC-VWYCJHECSA-N 1 2 295.343 -1.243 20 0 CAADLO CC[C@@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)c2cnc(C)[nH]2)[C@@H](O)C1 ZINC001083372353 775452499 /nfs/dbraw/zinc/45/24/99/775452499.db2.gz LZQUSAASAZCYAC-VWYCJHECSA-N 1 2 295.343 -1.243 20 0 CAADLO CN(C)C(=O)C[N@H+]1C[C@@H](NC(=O)C[C@H]2CCOC2)[C@@H](O)C1 ZINC001083380499 775455836 /nfs/dbraw/zinc/45/58/36/775455836.db2.gz YRHQDLMGYMCISO-UTUOFQBUSA-N 1 2 299.371 -1.338 20 0 CAADLO CN(C)C(=O)C[N@@H+]1C[C@@H](NC(=O)C[C@H]2CCOC2)[C@@H](O)C1 ZINC001083380499 775455841 /nfs/dbraw/zinc/45/58/41/775455841.db2.gz YRHQDLMGYMCISO-UTUOFQBUSA-N 1 2 299.371 -1.338 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)c2cccc(=O)[nH]2)[C@@H](O)C1 ZINC001083387315 775458182 /nfs/dbraw/zinc/45/81/82/775458182.db2.gz KZRDBSJRSMQDLS-QNSHHTMESA-N 1 2 294.311 -1.564 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)c2cccc(=O)[nH]2)[C@@H](O)C1 ZINC001083387315 775458199 /nfs/dbraw/zinc/45/81/99/775458199.db2.gz KZRDBSJRSMQDLS-QNSHHTMESA-N 1 2 294.311 -1.564 20 0 CAADLO Cc1[nH]ccc1C(=O)N[C@@H]1C[N@H+]([C@@H](C)C(N)=O)C[C@@H]1O ZINC001083394974 775458292 /nfs/dbraw/zinc/45/82/92/775458292.db2.gz SRYBQMRWZDKLHM-GDPRMGEGSA-N 1 2 280.328 -1.028 20 0 CAADLO Cc1[nH]ccc1C(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(N)=O)C[C@@H]1O ZINC001083394974 775458299 /nfs/dbraw/zinc/45/82/99/775458299.db2.gz SRYBQMRWZDKLHM-GDPRMGEGSA-N 1 2 280.328 -1.028 20 0 CAADLO Cn1nncc1C[NH2+]C/C=C\CNC(=O)Cc1nnc[nH]1 ZINC001268613766 775460397 /nfs/dbraw/zinc/46/03/97/775460397.db2.gz IAMCWRSJJVUFQA-IHWYPQMZSA-N 1 2 290.331 -1.062 20 0 CAADLO C[C@H](C[NH2+]Cc1nnnn1C(C)(C)C)NC(=O)C(N)=O ZINC001268660807 775463555 /nfs/dbraw/zinc/46/35/55/775463555.db2.gz WNBZHTDQXRJNTK-SSDOTTSWSA-N 1 2 283.336 -1.492 20 0 CAADLO CCCNC(=O)C[N@H+](C)C[C@@H](C)NC(=O)C(N)=O ZINC001268743849 775471235 /nfs/dbraw/zinc/47/12/35/775471235.db2.gz WNHHOGYNNODNJB-MRVPVSSYSA-N 1 2 258.322 -1.566 20 0 CAADLO CCCNC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)C(N)=O ZINC001268743849 775471242 /nfs/dbraw/zinc/47/12/42/775471242.db2.gz WNHHOGYNNODNJB-MRVPVSSYSA-N 1 2 258.322 -1.566 20 0 CAADLO C[C@H](C[N@H+](C)CC(=O)N(C)C)NC(=O)c1cn[nH]n1 ZINC001268735587 775472098 /nfs/dbraw/zinc/47/20/98/775472098.db2.gz LDIAPJJCNGQIIS-MRVPVSSYSA-N 1 2 268.321 -1.057 20 0 CAADLO C[C@H](C[N@@H+](C)CC(=O)N(C)C)NC(=O)c1cn[nH]n1 ZINC001268735587 775472105 /nfs/dbraw/zinc/47/21/05/775472105.db2.gz LDIAPJJCNGQIIS-MRVPVSSYSA-N 1 2 268.321 -1.057 20 0 CAADLO C[C@H](C[N@H+](C)CC(=O)N(C)C)NC(=O)c1cnn[nH]1 ZINC001268735587 775472110 /nfs/dbraw/zinc/47/21/10/775472110.db2.gz LDIAPJJCNGQIIS-MRVPVSSYSA-N 1 2 268.321 -1.057 20 0 CAADLO C[C@H](C[N@@H+](C)CC(=O)N(C)C)NC(=O)c1cnn[nH]1 ZINC001268735587 775472115 /nfs/dbraw/zinc/47/21/15/775472115.db2.gz LDIAPJJCNGQIIS-MRVPVSSYSA-N 1 2 268.321 -1.057 20 0 CAADLO C[C@@H](C[N@H+](C)CC(=O)N(C)C)NC(=O)c1cn[nH]n1 ZINC001268735588 775472578 /nfs/dbraw/zinc/47/25/78/775472578.db2.gz LDIAPJJCNGQIIS-QMMMGPOBSA-N 1 2 268.321 -1.057 20 0 CAADLO C[C@@H](C[N@@H+](C)CC(=O)N(C)C)NC(=O)c1cn[nH]n1 ZINC001268735588 775472585 /nfs/dbraw/zinc/47/25/85/775472585.db2.gz LDIAPJJCNGQIIS-QMMMGPOBSA-N 1 2 268.321 -1.057 20 0 CAADLO C[C@@H](C[N@H+](C)CC(=O)N(C)C)NC(=O)c1cnn[nH]1 ZINC001268735588 775472589 /nfs/dbraw/zinc/47/25/89/775472589.db2.gz LDIAPJJCNGQIIS-QMMMGPOBSA-N 1 2 268.321 -1.057 20 0 CAADLO C[C@@H](C[N@@H+](C)CC(=O)N(C)C)NC(=O)c1cnn[nH]1 ZINC001268735588 775472595 /nfs/dbraw/zinc/47/25/95/775472595.db2.gz LDIAPJJCNGQIIS-QMMMGPOBSA-N 1 2 268.321 -1.057 20 0 CAADLO C[C@H](C(N)=O)[NH+]1CC(CNC(=O)Cc2cc[nH]n2)C1 ZINC001268813798 775475063 /nfs/dbraw/zinc/47/50/63/775475063.db2.gz HJAXSRGSPBEJGH-MRVPVSSYSA-N 1 2 265.317 -1.126 20 0 CAADLO NC(=O)CC(=O)NCC1C[NH+](CC(=O)N2CCOCC2)C1 ZINC001268813887 775475616 /nfs/dbraw/zinc/47/56/16/775475616.db2.gz KFESLWWSCDCTLE-UHFFFAOYSA-N 1 2 298.343 -2.231 20 0 CAADLO CC[C@@H](C(N)=O)[N@@H+]1CC[C@@H]1CNC(=O)CC(N)=O ZINC001269216972 775496646 /nfs/dbraw/zinc/49/66/46/775496646.db2.gz YFQXXPKKFLRGIC-SFYZADRCSA-N 1 2 256.306 -1.684 20 0 CAADLO CC[C@@H](C(N)=O)[N@H+]1CC[C@@H]1CNC(=O)CC(N)=O ZINC001269216972 775496650 /nfs/dbraw/zinc/49/66/50/775496650.db2.gz YFQXXPKKFLRGIC-SFYZADRCSA-N 1 2 256.306 -1.684 20 0 CAADLO CCn1nnc(C)c1C[NH+]1CC(CNC(=O)C(N)=O)C1 ZINC001268874457 775478175 /nfs/dbraw/zinc/47/81/75/775478175.db2.gz OTPFVDUAMIANIM-UHFFFAOYSA-N 1 2 280.332 -1.360 20 0 CAADLO C[C@]1(C(=O)NCC2C[NH+](CC(N)=O)C2)CCOC1 ZINC001268891500 775478502 /nfs/dbraw/zinc/47/85/02/775478502.db2.gz CVGJMIYUXQNBGO-LBPRGKRZSA-N 1 2 255.318 -1.054 20 0 CAADLO CCNC(=O)C[NH+]1CC(CNC(=O)[C@@]2(C)CCNC2=O)C1 ZINC001268879767 775479038 /nfs/dbraw/zinc/47/90/38/775479038.db2.gz VGROZWZGMHVPAH-AWEZNQCLSA-N 1 2 296.371 -1.303 20 0 CAADLO CC(C)NC(=O)C[NH+]1CC(CNC(=O)C(N)=O)C1 ZINC001268874272 775479130 /nfs/dbraw/zinc/47/91/30/775479130.db2.gz IXHCHAXNYYZOSW-UHFFFAOYSA-N 1 2 256.306 -1.956 20 0 CAADLO CN1CC(=O)N(CC(=O)NCC2C[NH+](CC(N)=O)C2)C1=O ZINC001268905802 775479956 /nfs/dbraw/zinc/47/99/56/775479956.db2.gz HQRKNFVGGQHLCO-UHFFFAOYSA-N 1 2 297.315 -2.586 20 0 CAADLO CNC(=O)C1(C(=O)NCC2C[NH+](CC(N)=O)C2)CCC1 ZINC001268900734 775479976 /nfs/dbraw/zinc/47/99/76/775479976.db2.gz MYKCYDYRCXMTHI-UHFFFAOYSA-N 1 2 282.344 -1.564 20 0 CAADLO CNC(=O)C1(C(=O)NCC2C[NH+]([C@@H](C)C(N)=O)C2)CCC1 ZINC001268900504 775480488 /nfs/dbraw/zinc/48/04/88/775480488.db2.gz IBTBKYISNZPNOY-VIFPVBQESA-N 1 2 296.371 -1.176 20 0 CAADLO COC(=O)[C@H](O)C[NH+]1CCN(CC(=O)N(C)C)CC1 ZINC000700817902 775481119 /nfs/dbraw/zinc/48/11/19/775481119.db2.gz HMYBFNLQLGBWGS-SNVBAGLBSA-N 1 2 273.333 -1.774 20 0 CAADLO COC(=O)[C@@H](O)C[NH+]1CCN(CC(=O)N(C)C)CC1 ZINC000700817897 775481529 /nfs/dbraw/zinc/48/15/29/775481529.db2.gz HMYBFNLQLGBWGS-JTQLQIEISA-N 1 2 273.333 -1.774 20 0 CAADLO COC(=O)/C=C/C(=O)N1CC2(C1)C[NH+](CC(=O)N(C)C)C2 ZINC001268988736 775481625 /nfs/dbraw/zinc/48/16/25/775481625.db2.gz MGIJEYFZOVIHIW-SNAWJCMRSA-N 1 2 295.339 -1.052 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)C(C)(C)C(N)=O)C1 ZINC001269034126 775484539 /nfs/dbraw/zinc/48/45/39/775484539.db2.gz PYHFJJOKLTUCAP-QMMMGPOBSA-N 1 2 270.333 -1.566 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)C(C)(C)C(N)=O)C1 ZINC001269034126 775484542 /nfs/dbraw/zinc/48/45/42/775484542.db2.gz PYHFJJOKLTUCAP-QMMMGPOBSA-N 1 2 270.333 -1.566 20 0 CAADLO Cc1nnc(C[NH2+]C[C@H](NC(=O)C(N)=O)C2CC2)o1 ZINC001269109167 775490727 /nfs/dbraw/zinc/49/07/27/775490727.db2.gz FNYJPLKLZITESV-QMMMGPOBSA-N 1 2 267.289 -1.152 20 0 CAADLO O=C(NC[C@H]1CC[N@@H+]1CCN1C(=O)CNC1=O)C(F)F ZINC001269189411 775494652 /nfs/dbraw/zinc/49/46/52/775494652.db2.gz UOSDVAHKMNPJFH-SSDOTTSWSA-N 1 2 290.270 -1.006 20 0 CAADLO O=C(NC[C@H]1CC[N@H+]1CCN1C(=O)CNC1=O)C(F)F ZINC001269189411 775494663 /nfs/dbraw/zinc/49/46/63/775494663.db2.gz UOSDVAHKMNPJFH-SSDOTTSWSA-N 1 2 290.270 -1.006 20 0 CAADLO CC[C@@H](C(N)=O)[N@@H+]1CC[C@H]1CNC(=O)CC(N)=O ZINC001269216973 775496487 /nfs/dbraw/zinc/49/64/87/775496487.db2.gz YFQXXPKKFLRGIC-YUMQZZPRSA-N 1 2 256.306 -1.684 20 0 CAADLO CC[C@@H](C(N)=O)[N@H+]1CC[C@H]1CNC(=O)CC(N)=O ZINC001269216973 775496494 /nfs/dbraw/zinc/49/64/94/775496494.db2.gz YFQXXPKKFLRGIC-YUMQZZPRSA-N 1 2 256.306 -1.684 20 0 CAADLO CCN(CC)C(=O)C[N@@H+]1CC[C@H]1CNC(=O)CC(N)=O ZINC001269209621 775496836 /nfs/dbraw/zinc/49/68/36/775496836.db2.gz CDKLAHOAJWQRHL-JTQLQIEISA-N 1 2 284.360 -1.079 20 0 CAADLO CCN(CC)C(=O)C[N@H+]1CC[C@H]1CNC(=O)CC(N)=O ZINC001269209621 775496840 /nfs/dbraw/zinc/49/68/40/775496840.db2.gz CDKLAHOAJWQRHL-JTQLQIEISA-N 1 2 284.360 -1.079 20 0 CAADLO CCN(C)C(=O)C[N@@H+]1CC[C@H]1CNC(=O)CC(N)=O ZINC001269211806 775497173 /nfs/dbraw/zinc/49/71/73/775497173.db2.gz WBEIHWYKNRVTDV-VIFPVBQESA-N 1 2 270.333 -1.469 20 0 CAADLO CCN(C)C(=O)C[N@H+]1CC[C@H]1CNC(=O)CC(N)=O ZINC001269211806 775497180 /nfs/dbraw/zinc/49/71/80/775497180.db2.gz WBEIHWYKNRVTDV-VIFPVBQESA-N 1 2 270.333 -1.469 20 0 CAADLO NC(=O)CC(=O)NC[C@@H]1CC[N@@H+]1[C@@H]1CCCNC1=O ZINC001269214054 775497260 /nfs/dbraw/zinc/49/72/60/775497260.db2.gz HVTUYKBNFPXPRX-DTWKUNHWSA-N 1 2 268.317 -1.669 20 0 CAADLO NC(=O)CC(=O)NC[C@@H]1CC[N@H+]1[C@@H]1CCCNC1=O ZINC001269214054 775497266 /nfs/dbraw/zinc/49/72/66/775497266.db2.gz HVTUYKBNFPXPRX-DTWKUNHWSA-N 1 2 268.317 -1.669 20 0 CAADLO C[N@@H+]1CCC12CN(C(=O)[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O)C2 ZINC001269302102 775502103 /nfs/dbraw/zinc/50/21/03/775502103.db2.gz MURFIQVNMRZMON-OKZKDYFGSA-N 1 2 288.300 -3.297 20 0 CAADLO C[N@H+]1CCC12CN(C(=O)[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O)C2 ZINC001269302102 775502111 /nfs/dbraw/zinc/50/21/11/775502111.db2.gz MURFIQVNMRZMON-OKZKDYFGSA-N 1 2 288.300 -3.297 20 0 CAADLO C[N@@H+]1CCC12CN(C(=O)[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@H]1O)C2 ZINC001269302103 775502681 /nfs/dbraw/zinc/50/26/81/775502681.db2.gz MURFIQVNMRZMON-VPWVSVFPSA-N 1 2 288.300 -3.297 20 0 CAADLO C[N@H+]1CCC12CN(C(=O)[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@H]1O)C2 ZINC001269302103 775502688 /nfs/dbraw/zinc/50/26/88/775502688.db2.gz MURFIQVNMRZMON-VPWVSVFPSA-N 1 2 288.300 -3.297 20 0 CAADLO CCN(C(=O)C(N)=O)[C@@H]1CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001269345476 775504121 /nfs/dbraw/zinc/50/41/21/775504121.db2.gz RMVCJWNFSPVPFX-SSDOTTSWSA-N 1 2 285.304 -2.411 20 0 CAADLO CCN(C(=O)C(N)=O)[C@@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001269345476 775504128 /nfs/dbraw/zinc/50/41/28/775504128.db2.gz RMVCJWNFSPVPFX-SSDOTTSWSA-N 1 2 285.304 -2.411 20 0 CAADLO CCNC(=O)CC(=O)NCC1([NH2+]Cc2nnnn2C)CC1 ZINC001269401321 775506909 /nfs/dbraw/zinc/50/69/09/775506909.db2.gz ARCBBVUJIMUDOI-UHFFFAOYSA-N 1 2 295.347 -1.525 20 0 CAADLO CC[C@@H](CNC(=O)C(N)=O)[NH2+]Cc1ncccn1 ZINC001269460528 775508914 /nfs/dbraw/zinc/50/89/14/775508914.db2.gz JDPQIONYUGTESK-QMMMGPOBSA-N 1 2 251.290 -1.054 20 0 CAADLO Cn1ncnc1C[NH2+]C1(CNC(=O)C2(C(N)=O)CC2)CC1 ZINC001269480146 775510142 /nfs/dbraw/zinc/51/01/42/775510142.db2.gz ATMJSXLSJZRJBO-UHFFFAOYSA-N 1 2 292.343 -1.181 20 0 CAADLO NC(=O)C(=O)NCC1([NH2+]Cc2nnc3n2CCOC3)CC1 ZINC001269480853 775510585 /nfs/dbraw/zinc/51/05/85/775510585.db2.gz VTCOPVOQWRDADK-UHFFFAOYSA-N 1 2 294.315 -1.968 20 0 CAADLO CN(CCNC(=O)CCc1c[nH]c[nH+]1)C(=O)CC(N)=O ZINC001284540652 775511986 /nfs/dbraw/zinc/51/19/86/775511986.db2.gz LEEUNUVZEVTJNE-UHFFFAOYSA-N 1 2 281.316 -1.208 20 0 CAADLO CN(CCNC(=O)CCc1c[nH+]c[nH]1)C(=O)CC(N)=O ZINC001284540652 775511989 /nfs/dbraw/zinc/51/19/89/775511989.db2.gz LEEUNUVZEVTJNE-UHFFFAOYSA-N 1 2 281.316 -1.208 20 0 CAADLO CN(C)C(=O)[C@@]12C[C@@H]1CCN2C(=O)C[NH+](CCO)CCO ZINC001269618985 775514830 /nfs/dbraw/zinc/51/48/30/775514830.db2.gz XSKJJWGUGHYEJV-SMDDNHRTSA-N 1 2 299.371 -1.648 20 0 CAADLO CN(C(=O)c1ccc(=O)[nH]n1)C1C[NH+](CCOCCO)C1 ZINC001269750785 775516372 /nfs/dbraw/zinc/51/63/72/775516372.db2.gz JSRNFEWQCKWRRC-UHFFFAOYSA-N 1 2 296.327 -1.053 20 0 CAADLO CN(C(=O)[C@H]1COC(=O)N1)C1C[NH+](CCOCCO)C1 ZINC001269781035 775517756 /nfs/dbraw/zinc/51/77/56/775517756.db2.gz ONGBUSQGMXUVPX-SNVBAGLBSA-N 1 2 287.316 -1.754 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(N(C)C(=O)[C@@]2(C)CCNC2=O)C1 ZINC001269849197 775518337 /nfs/dbraw/zinc/51/83/37/775518337.db2.gz KCIGXBXHLGRKJT-FZMZJTMJSA-N 1 2 299.371 -1.338 20 0 CAADLO Cn1nnnc1C[NH2+]CCNC(=O)CCc1ncc[nH]1 ZINC001126436981 775520106 /nfs/dbraw/zinc/52/01/06/775520106.db2.gz QCFPOYZMVDSESO-UHFFFAOYSA-N 1 2 278.320 -1.228 20 0 CAADLO C[N@H+]1C[C@H]2CN(C(=O)c3nccnc3C(N)=O)C[C@@H](C1)O2 ZINC001269944308 775520141 /nfs/dbraw/zinc/52/01/41/775520141.db2.gz VKRLLHOAYALUKC-DTORHVGOSA-N 1 2 291.311 -1.270 20 0 CAADLO C[N@@H+]1C[C@H]2CN(C(=O)c3nccnc3C(N)=O)C[C@@H](C1)O2 ZINC001269944308 775520148 /nfs/dbraw/zinc/52/01/48/775520148.db2.gz VKRLLHOAYALUKC-DTORHVGOSA-N 1 2 291.311 -1.270 20 0 CAADLO NC(=O)c1nnc2n1CCN(C(=O)Cn1cc[nH+]c1)C2 ZINC001270043501 775521918 /nfs/dbraw/zinc/52/19/18/775521918.db2.gz DPEQNCPSQGXPSD-UHFFFAOYSA-N 1 2 275.272 -1.384 20 0 CAADLO CN(C[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1)C(=O)C(N)=O ZINC001284845385 775525029 /nfs/dbraw/zinc/52/50/29/775525029.db2.gz DIIIYABOCSQMKF-VIFPVBQESA-N 1 2 293.327 -1.256 20 0 CAADLO Cn1nncc1C(=O)N1CC[C@H]2C[N@H+](CC(N)=O)C[C@H]21 ZINC001075751535 775529487 /nfs/dbraw/zinc/52/94/87/775529487.db2.gz MHJGBOZXXWAXBI-WCBMZHEXSA-N 1 2 278.316 -1.553 20 0 CAADLO Cn1nncc1C(=O)N1CC[C@H]2C[N@@H+](CC(N)=O)C[C@H]21 ZINC001075751535 775529492 /nfs/dbraw/zinc/52/94/92/775529492.db2.gz MHJGBOZXXWAXBI-WCBMZHEXSA-N 1 2 278.316 -1.553 20 0 CAADLO CN1CCO[C@H]2CN(C(=O)[C@@H](CO)n3cc[nH+]c3)C[C@@H]21 ZINC001270398943 775530670 /nfs/dbraw/zinc/53/06/70/775530670.db2.gz IVWQZDNWXRBNLG-TUAOUCFPSA-N 1 2 280.328 -1.042 20 0 CAADLO O=C(CO)N1CC2(C1)COCC(=O)N2CCn1cc[nH+]c1 ZINC001270428298 775531578 /nfs/dbraw/zinc/53/15/78/775531578.db2.gz NWQJZWAWZSWOCC-UHFFFAOYSA-N 1 2 294.311 -1.685 20 0 CAADLO C[C@@H](CNC(=O)c1[nH]ncc1F)C[NH2+]CC(N)=O ZINC001270508388 775534795 /nfs/dbraw/zinc/53/47/95/775534795.db2.gz TWHKFQSWWHDNEL-ZCFIWIBFSA-N 1 2 257.269 -1.010 20 0 CAADLO O=C(NC[C@@H]1C[N@H+](CCOCCO)CCO1)c1ccn[nH]1 ZINC001270619450 775538060 /nfs/dbraw/zinc/53/80/60/775538060.db2.gz DMDRAQWQYKVQLC-LLVKDONJSA-N 1 2 298.343 -1.151 20 0 CAADLO O=C(NC[C@@H]1C[N@@H+](CCOCCO)CCO1)c1ccn[nH]1 ZINC001270619450 775538069 /nfs/dbraw/zinc/53/80/69/775538069.db2.gz DMDRAQWQYKVQLC-LLVKDONJSA-N 1 2 298.343 -1.151 20 0 CAADLO C[C@@]1(NC(=O)C(N)=O)CC[N@H+](CC(=O)NC2CC2)C1 ZINC001270623209 775538911 /nfs/dbraw/zinc/53/89/11/775538911.db2.gz FKQULCBJXOORCR-GFCCVEGCSA-N 1 2 268.317 -1.669 20 0 CAADLO C[C@@]1(NC(=O)C(N)=O)CC[N@@H+](CC(=O)NC2CC2)C1 ZINC001270623209 775538918 /nfs/dbraw/zinc/53/89/18/775538918.db2.gz FKQULCBJXOORCR-GFCCVEGCSA-N 1 2 268.317 -1.669 20 0 CAADLO COC[C@H](O)C[N@H+]1CCO[C@@H](CNC(=O)CC(N)=O)C1 ZINC001270628142 775539898 /nfs/dbraw/zinc/53/98/98/775539898.db2.gz AZNQNDFZENUGEF-ZJUUUORDSA-N 1 2 289.332 -2.314 20 0 CAADLO COC[C@H](O)C[N@@H+]1CCO[C@@H](CNC(=O)CC(N)=O)C1 ZINC001270628142 775539890 /nfs/dbraw/zinc/53/98/90/775539890.db2.gz AZNQNDFZENUGEF-ZJUUUORDSA-N 1 2 289.332 -2.314 20 0 CAADLO Cn1[nH]c(C[NH2+]CCNC(=O)CC(C)(C)O)nc1=O ZINC001126476486 775539657 /nfs/dbraw/zinc/53/96/57/775539657.db2.gz FTAYYLSSPUUKMH-UHFFFAOYSA-N 1 2 271.321 -1.525 20 0 CAADLO C[N@@H+]1CCO[C@H]2CN(C(=O)CCN3C(=O)C=CC3=O)C[C@H]21 ZINC001270645354 775539805 /nfs/dbraw/zinc/53/98/05/775539805.db2.gz PEPYKGUKAVROMX-MNOVXSKESA-N 1 2 293.323 -1.157 20 0 CAADLO C[N@H+]1CCO[C@H]2CN(C(=O)CCN3C(=O)C=CC3=O)C[C@H]21 ZINC001270645354 775539816 /nfs/dbraw/zinc/53/98/16/775539816.db2.gz PEPYKGUKAVROMX-MNOVXSKESA-N 1 2 293.323 -1.157 20 0 CAADLO CCNC(=O)CC(=O)NC[C@H]1C[N@H+](CCOC)CCO1 ZINC001270637226 775539926 /nfs/dbraw/zinc/53/99/26/775539926.db2.gz AFZFTTZESGSZLA-NSHDSACASA-N 1 2 287.360 -1.024 20 0 CAADLO CCNC(=O)CC(=O)NC[C@H]1C[N@@H+](CCOC)CCO1 ZINC001270637226 775539938 /nfs/dbraw/zinc/53/99/38/775539938.db2.gz AFZFTTZESGSZLA-NSHDSACASA-N 1 2 287.360 -1.024 20 0 CAADLO CC[C@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)c2cn(C)cn2)[C@@H](O)C1 ZINC001083406308 775541404 /nfs/dbraw/zinc/54/14/04/775541404.db2.gz ABWCNBDOKGZNBG-IEBDPFPHSA-N 1 2 295.343 -1.541 20 0 CAADLO CC[C@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)c2cn(C)cn2)[C@@H](O)C1 ZINC001083406308 775541415 /nfs/dbraw/zinc/54/14/15/775541415.db2.gz ABWCNBDOKGZNBG-IEBDPFPHSA-N 1 2 295.343 -1.541 20 0 CAADLO O=C(NCC(F)F)C(=O)NC[C@H]1C[N@H+](CCO)CCO1 ZINC001270659711 775541580 /nfs/dbraw/zinc/54/15/80/775541580.db2.gz ZUNJSWBNHQCXRV-QMMMGPOBSA-N 1 2 295.286 -1.823 20 0 CAADLO O=C(NCC(F)F)C(=O)NC[C@H]1C[N@@H+](CCO)CCO1 ZINC001270659711 775541586 /nfs/dbraw/zinc/54/15/86/775541586.db2.gz ZUNJSWBNHQCXRV-QMMMGPOBSA-N 1 2 295.286 -1.823 20 0 CAADLO Cn1cc(CC[N@@H+]2CCO[C@@H](CNC(=O)C(N)=O)C2)cn1 ZINC001270674781 775541636 /nfs/dbraw/zinc/54/16/36/775541636.db2.gz UVCGQFOESNRRGR-NSHDSACASA-N 1 2 295.343 -1.735 20 0 CAADLO Cn1cc(CC[N@H+]2CCO[C@@H](CNC(=O)C(N)=O)C2)cn1 ZINC001270674781 775541643 /nfs/dbraw/zinc/54/16/43/775541643.db2.gz UVCGQFOESNRRGR-NSHDSACASA-N 1 2 295.343 -1.735 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)Cc2cccnc2)[C@@H](O)C1 ZINC001083408610 775549475 /nfs/dbraw/zinc/54/94/75/775549475.db2.gz SRTDSFKLRIPFGN-WCQGTBRESA-N 1 2 292.339 -1.341 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)Cc2cccnc2)[C@@H](O)C1 ZINC001083408610 775549482 /nfs/dbraw/zinc/54/94/82/775549482.db2.gz SRTDSFKLRIPFGN-WCQGTBRESA-N 1 2 292.339 -1.341 20 0 CAADLO C[C@@H](O)C(=O)N1C[C@@H](C(N)=O)[C@H](c2cn(C)c[nH+]2)C1 ZINC001270856052 775551742 /nfs/dbraw/zinc/55/17/42/775551742.db2.gz ZYWBCWJNVDFHMG-IWSPIJDZSA-N 1 2 266.301 -1.172 20 0 CAADLO C[C@@H](O)C[NH+]1CC(N(C)C(=O)[C@@H]2COCCO2)C1 ZINC001042494700 775553295 /nfs/dbraw/zinc/55/32/95/775553295.db2.gz LCOHTRAUADYRGS-KOLCDFICSA-N 1 2 258.318 -1.075 20 0 CAADLO NC(=O)[C@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1C(N)=O ZINC001149187580 775555241 /nfs/dbraw/zinc/55/52/41/775555241.db2.gz QQDUFDAYDVKALR-YUMQZZPRSA-N 1 2 265.273 -2.072 20 0 CAADLO O=C(CN1CCOCC1)N[C@@H]1C[N@@H+](CCF)C[C@@H]1O ZINC001083415684 775556557 /nfs/dbraw/zinc/55/65/57/775556557.db2.gz ZVRXOORZFHNKAH-MNOVXSKESA-N 1 2 275.324 -1.551 20 0 CAADLO O=C(CN1CCOCC1)N[C@@H]1C[N@H+](CCF)C[C@@H]1O ZINC001083415684 775556568 /nfs/dbraw/zinc/55/65/68/775556568.db2.gz ZVRXOORZFHNKAH-MNOVXSKESA-N 1 2 275.324 -1.551 20 0 CAADLO CC[C@@H]1[C@@H](NC(=O)c2ncn(C)n2)CC[N@@H+]1CC(N)=O ZINC001087563659 775569470 /nfs/dbraw/zinc/56/94/70/775569470.db2.gz IGEXSGJRBYZEOC-DTWKUNHWSA-N 1 2 280.332 -1.117 20 0 CAADLO CC[C@@H]1[C@@H](NC(=O)c2ncn(C)n2)CC[N@H+]1CC(N)=O ZINC001087563659 775569477 /nfs/dbraw/zinc/56/94/77/775569477.db2.gz IGEXSGJRBYZEOC-DTWKUNHWSA-N 1 2 280.332 -1.117 20 0 CAADLO CC[C@@H]1[C@@H](NC(=O)Cc2nnc[nH]2)CC[N@@H+]1CC(N)=O ZINC001087789509 775576363 /nfs/dbraw/zinc/57/63/63/775576363.db2.gz VCIHCHILFKVGRP-DTWKUNHWSA-N 1 2 280.332 -1.198 20 0 CAADLO CC[C@@H]1[C@@H](NC(=O)Cc2nnc[nH]2)CC[N@H+]1CC(N)=O ZINC001087789509 775576371 /nfs/dbraw/zinc/57/63/71/775576371.db2.gz VCIHCHILFKVGRP-DTWKUNHWSA-N 1 2 280.332 -1.198 20 0 CAADLO COCc1noc(C[NH2+]CCNC(=O)[C@H]2COC(=O)N2)n1 ZINC001126548458 775577096 /nfs/dbraw/zinc/57/70/96/775577096.db2.gz LOYRLIQVPFHKQY-SSDOTTSWSA-N 1 2 299.287 -1.470 20 0 CAADLO Cc1nonc1C[NH2+]CCNC(=O)[C@@H]1COC(=O)N1 ZINC001126548655 775577413 /nfs/dbraw/zinc/57/74/13/775577413.db2.gz QWLCVOSLLYHSFY-QMMMGPOBSA-N 1 2 269.261 -1.308 20 0 CAADLO O=C(NCC[NH2+]Cc1cnsn1)[C@@H]1COC(=O)N1 ZINC001126548809 775577920 /nfs/dbraw/zinc/57/79/20/775577920.db2.gz STGJFTTTYRYNMM-ZETCQYMHSA-N 1 2 271.302 -1.148 20 0 CAADLO Cn1[nH]c(C[NH2+]CCNC(=O)[C@@H]2COC(=O)N2)nc1=O ZINC001126548685 775577956 /nfs/dbraw/zinc/57/79/56/775577956.db2.gz RJIQCAJIMQQDIV-LURJTMIESA-N 1 2 284.276 -2.577 20 0 CAADLO COCc1noc(C[NH2+]CCNC(=O)[C@@H]2COC(=O)N2)n1 ZINC001126548459 775578246 /nfs/dbraw/zinc/57/82/46/775578246.db2.gz LOYRLIQVPFHKQY-ZETCQYMHSA-N 1 2 299.287 -1.470 20 0 CAADLO O=C(NCC[NH2+]Cc1ncccn1)[C@@H]1COC(=O)N1 ZINC001126548194 775578276 /nfs/dbraw/zinc/57/82/76/775578276.db2.gz GAPZTWINAUFGCG-QMMMGPOBSA-N 1 2 265.273 -1.209 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)CN2CN=NC2=O)[C@@H](O)C1 ZINC001083419305 775584979 /nfs/dbraw/zinc/58/49/79/775584979.db2.gz ZRMGUDGGSZHJLC-PRJMDXOYSA-N 1 2 298.303 -2.981 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)CN2CN=NC2=O)[C@@H](O)C1 ZINC001083419305 775584985 /nfs/dbraw/zinc/58/49/85/775584985.db2.gz ZRMGUDGGSZHJLC-PRJMDXOYSA-N 1 2 298.303 -2.981 20 0 CAADLO C[C@H](C[NH2+][C@@H](C)C(N)=O)N(C)C(=O)Cc1ncn[nH]1 ZINC001271162319 775585074 /nfs/dbraw/zinc/58/50/74/775585074.db2.gz IYMVBZRAKVPVTK-SFYZADRCSA-N 1 2 268.321 -1.343 20 0 CAADLO NC(=O)C(=O)N1CC[C@H](n2cc(C[NH2+]CCF)nn2)C1 ZINC001098710901 775586594 /nfs/dbraw/zinc/58/65/94/775586594.db2.gz NRFXCRFDSQHEKF-VIFPVBQESA-N 1 2 284.295 -1.404 20 0 CAADLO CC[C@@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)c2cncnc2)[C@@H](O)C1 ZINC001083421080 775588712 /nfs/dbraw/zinc/58/87/12/775588712.db2.gz IQKMVJNQRVUOGG-VWYCJHECSA-N 1 2 293.327 -1.485 20 0 CAADLO CC[C@@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)c2cncnc2)[C@@H](O)C1 ZINC001083421080 775588719 /nfs/dbraw/zinc/58/87/19/775588719.db2.gz IQKMVJNQRVUOGG-VWYCJHECSA-N 1 2 293.327 -1.485 20 0 CAADLO O=C1COc2c[nH+]c(N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)cc2N1 ZINC001168041269 775589051 /nfs/dbraw/zinc/58/90/51/775589051.db2.gz QIWGPFGWJHKAOI-PZEZSJLVSA-N 1 2 295.295 -1.073 20 0 CAADLO NC(=O)c1[nH]nc2c1CN(C(=O)[C@H](CO)n1cc[nH+]c1)C2 ZINC001271175813 775589980 /nfs/dbraw/zinc/58/99/80/775589980.db2.gz AHTIQDOCGORARI-VIFPVBQESA-N 1 2 290.283 -1.219 20 0 CAADLO NC(=O)[C@]12C[C@H]1CCN2C(=O)[C@@H](CO)n1cc[nH+]c1 ZINC001271176329 775590086 /nfs/dbraw/zinc/59/00/86/775590086.db2.gz FSONOWQYJDGYGV-LNLATYFQSA-N 1 2 264.285 -1.107 20 0 CAADLO NC(=O)C1=NO[C@@H]2CN(C(=O)[C@@H](CO)n3cc[nH+]c3)C[C@H]12 ZINC001271175965 775590313 /nfs/dbraw/zinc/59/03/13/775590313.db2.gz BZRAYSKFMQSVPI-DJLDLDEBSA-N 1 2 293.283 -1.885 20 0 CAADLO NC(=O)[C@H]1CC12CN(C(=O)[C@H](CO)n1cc[nH+]c1)C2 ZINC001271176267 775590536 /nfs/dbraw/zinc/59/05/36/775590536.db2.gz FDGXGULWCMPLCA-BDAKNGLRSA-N 1 2 264.285 -1.250 20 0 CAADLO NC(=O)[C@@H]1CCC2(CN(C(=O)[C@@H](CO)n3cc[nH+]c3)C2)O1 ZINC001271177085 775590695 /nfs/dbraw/zinc/59/06/95/775590695.db2.gz KTXMRWUKFYSBLW-ZJUUUORDSA-N 1 2 294.311 -1.338 20 0 CAADLO C[N@@H+]1CCc2ncnc(N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)c2C1 ZINC001168047637 775590844 /nfs/dbraw/zinc/59/08/44/775590844.db2.gz RVINEGIJBSRQRG-STRQVWJDSA-N 1 2 294.355 -1.021 20 0 CAADLO C[N@H+]1CCc2ncnc(N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)c2C1 ZINC001168047637 775590858 /nfs/dbraw/zinc/59/08/58/775590858.db2.gz RVINEGIJBSRQRG-STRQVWJDSA-N 1 2 294.355 -1.021 20 0 CAADLO NC(=O)[C@H]1CC12CN(C(=O)[C@@H](CO)n1cc[nH+]c1)C2 ZINC001271176270 775591116 /nfs/dbraw/zinc/59/11/16/775591116.db2.gz FDGXGULWCMPLCA-RKDXNWHRSA-N 1 2 264.285 -1.250 20 0 CAADLO NC(=O)c1[nH]nc2c1CN(C(=O)[C@@H](CO)n1cc[nH+]c1)C2 ZINC001271175812 775591225 /nfs/dbraw/zinc/59/12/25/775591225.db2.gz AHTIQDOCGORARI-SECBINFHSA-N 1 2 290.283 -1.219 20 0 CAADLO NC(=O)[C@@H]1CC12CN(C(=O)[C@H](CO)n1cc[nH+]c1)C2 ZINC001271176269 775591459 /nfs/dbraw/zinc/59/14/59/775591459.db2.gz FDGXGULWCMPLCA-IUCAKERBSA-N 1 2 264.285 -1.250 20 0 CAADLO Cc1nnc(C[N@@H+]2CC[C@](O)(CNC(=O)C(N)=O)C2)o1 ZINC001271185432 775592929 /nfs/dbraw/zinc/59/29/29/775592929.db2.gz ZFKPIKGZZKDVNH-NSHDSACASA-N 1 2 283.288 -2.084 20 0 CAADLO Cc1nnc(C[N@H+]2CC[C@](O)(CNC(=O)C(N)=O)C2)o1 ZINC001271185432 775592933 /nfs/dbraw/zinc/59/29/33/775592933.db2.gz ZFKPIKGZZKDVNH-NSHDSACASA-N 1 2 283.288 -2.084 20 0 CAADLO NC(=O)[C@]12C[C@H]1CCN2C(=O)[C@H](Cc1c[nH]c[nH+]1)NC=O ZINC001271194233 775594577 /nfs/dbraw/zinc/59/45/77/775594577.db2.gz HDWDQXTVGVYYNP-DVYJOKAKSA-N 1 2 291.311 -1.457 20 0 CAADLO NC(=O)[C@]12C[C@H]1CCN2C(=O)[C@H](Cc1c[nH+]c[nH]1)NC=O ZINC001271194233 775594579 /nfs/dbraw/zinc/59/45/79/775594579.db2.gz HDWDQXTVGVYYNP-DVYJOKAKSA-N 1 2 291.311 -1.457 20 0 CAADLO O=C(NCC1(O)C[NH+](CCCO)C1)c1ccn[nH]1 ZINC001271245432 775595636 /nfs/dbraw/zinc/59/56/36/775595636.db2.gz VZQCQTYOJPQHOE-UHFFFAOYSA-N 1 2 254.290 -1.431 20 0 CAADLO CCOCC[NH+]1CC(O)(CNC(=O)CNC(=O)C2CC2)C1 ZINC001271245534 775596028 /nfs/dbraw/zinc/59/60/28/775596028.db2.gz WSJLTXOAAFTLCJ-UHFFFAOYSA-N 1 2 299.371 -1.288 20 0 CAADLO CN(C)C(=O)C[NH+]1CC2(C1)CCCN(C(=O)CO)C2 ZINC001271273417 775597481 /nfs/dbraw/zinc/59/74/81/775597481.db2.gz NMWBOEGLHWUTGJ-UHFFFAOYSA-N 1 2 269.345 -1.009 20 0 CAADLO C[C@H](F)CC[NH+]1CC(O)(CNC(=O)CC(N)=O)C1 ZINC001271262793 775597851 /nfs/dbraw/zinc/59/78/51/775597851.db2.gz QRDVNPUZXZGRFD-QMMMGPOBSA-N 1 2 261.297 -1.227 20 0 CAADLO CC[NH+]1CC(O)(CNC(=O)CCc2nnc[nH]2)C1 ZINC001271269696 775598585 /nfs/dbraw/zinc/59/85/85/775598585.db2.gz KKFLJIXJHBSRBY-UHFFFAOYSA-N 1 2 253.306 -1.080 20 0 CAADLO NC(=O)CC(=O)NC[C@H]1CCN1C(=O)CCc1[nH]cc[nH+]1 ZINC001285850087 775599663 /nfs/dbraw/zinc/59/96/63/775599663.db2.gz VSGGSGCOWOWGNV-SECBINFHSA-N 1 2 293.327 -1.065 20 0 CAADLO CC[NH+]1CC(O)(CNC(=O)Cc2nnc(C)[nH]2)C1 ZINC001271281661 775599785 /nfs/dbraw/zinc/59/97/85/775599785.db2.gz CQYMQEDMJMIPOO-UHFFFAOYSA-N 1 2 253.306 -1.162 20 0 CAADLO C[C@H](O)C[NH+]1CC(O)(CNC(=O)c2ncc[nH]2)C1 ZINC001271281608 775600265 /nfs/dbraw/zinc/60/02/65/775600265.db2.gz BGQPFOPSVJESFR-QMMMGPOBSA-N 1 2 254.290 -1.433 20 0 CAADLO C[C@@H](O)C[NH+]1CC(O)(CNC(=O)c2ncc[nH]2)C1 ZINC001271281607 775600491 /nfs/dbraw/zinc/60/04/91/775600491.db2.gz BGQPFOPSVJESFR-MRVPVSSYSA-N 1 2 254.290 -1.433 20 0 CAADLO Cn1cncc1C(=O)NCC1(O)C[NH+](CCCO)C1 ZINC001271311326 775601000 /nfs/dbraw/zinc/60/10/00/775601000.db2.gz DBRYZUIRVABBHX-UHFFFAOYSA-N 1 2 268.317 -1.421 20 0 CAADLO CN(C)C(=O)C[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CCC(=O)NC1 ZINC001038454841 775601338 /nfs/dbraw/zinc/60/13/38/775601338.db2.gz ZQUIBBSGQWEWJM-WDEREUQCSA-N 1 2 296.371 -1.209 20 0 CAADLO CN(C)C(=O)C[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CCC(=O)NC1 ZINC001038454841 775601344 /nfs/dbraw/zinc/60/13/44/775601344.db2.gz ZQUIBBSGQWEWJM-WDEREUQCSA-N 1 2 296.371 -1.209 20 0 CAADLO CN(C)C(=O)C[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CCC(=O)NC1 ZINC001038454836 775601970 /nfs/dbraw/zinc/60/19/70/775601970.db2.gz ZQUIBBSGQWEWJM-QWRGUYRKSA-N 1 2 296.371 -1.209 20 0 CAADLO CN(C)C(=O)C[N@H+]1CC[C@H]1CNC(=O)[C@H]1CCC(=O)NC1 ZINC001038454836 775601975 /nfs/dbraw/zinc/60/19/75/775601975.db2.gz ZQUIBBSGQWEWJM-QWRGUYRKSA-N 1 2 296.371 -1.209 20 0 CAADLO C[C@H](O)C[NH+]1CC(O)(CNC(=O)C2(C(N)=O)CC2)C1 ZINC001271343087 775602561 /nfs/dbraw/zinc/60/25/61/775602561.db2.gz HUZDFGZDTCDDLQ-QMMMGPOBSA-N 1 2 271.317 -2.204 20 0 CAADLO CN1CC[C@@H](C(=O)NCC2(O)C[NH+](CCCF)C2)C1=O ZINC001271343649 775603209 /nfs/dbraw/zinc/60/32/09/775603209.db2.gz QULQWMRJOJMGMU-JTQLQIEISA-N 1 2 287.335 -1.013 20 0 CAADLO C[C@@H]1CC[C@@H](C[NH+]2CC(O)(CNC(=O)C(N)=O)C2)O1 ZINC001271351407 775604030 /nfs/dbraw/zinc/60/40/30/775604030.db2.gz XHDASYNCGHIEHJ-BDAKNGLRSA-N 1 2 271.317 -1.798 20 0 CAADLO Cn1nnnc1C[N@@H+]1CC[C@@H]2CN(C(=O)C(N)=O)C[C@@H]2C1 ZINC001088087478 775605399 /nfs/dbraw/zinc/60/53/99/775605399.db2.gz YJEVNSRABLCYFK-BDAKNGLRSA-N 1 2 293.331 -2.024 20 0 CAADLO Cn1nnnc1C[N@H+]1CC[C@@H]2CN(C(=O)C(N)=O)C[C@@H]2C1 ZINC001088087478 775605407 /nfs/dbraw/zinc/60/54/07/775605407.db2.gz YJEVNSRABLCYFK-BDAKNGLRSA-N 1 2 293.331 -2.024 20 0 CAADLO Cc1nnc(C[N@@H+]2CC[C@@H]3CN(C(=O)C(N)=O)C[C@@H]3C2)[nH]1 ZINC001088088719 775607775 /nfs/dbraw/zinc/60/77/75/775607775.db2.gz IVAOTKISFJXMJS-ZJUUUORDSA-N 1 2 292.343 -1.121 20 0 CAADLO Cc1nnc(C[N@H+]2CC[C@@H]3CN(C(=O)C(N)=O)C[C@@H]3C2)[nH]1 ZINC001088088719 775607779 /nfs/dbraw/zinc/60/77/79/775607779.db2.gz IVAOTKISFJXMJS-ZJUUUORDSA-N 1 2 292.343 -1.121 20 0 CAADLO O=C(N[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@@H]1O)C1=CCOCC1 ZINC001083422758 775609040 /nfs/dbraw/zinc/60/90/40/775609040.db2.gz ODWWKJQNHQXIKI-WOPDTQHZSA-N 1 2 295.339 -1.617 20 0 CAADLO O=C(N[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@@H]1O)C1=CCOCC1 ZINC001083422758 775609048 /nfs/dbraw/zinc/60/90/48/775609048.db2.gz ODWWKJQNHQXIKI-WOPDTQHZSA-N 1 2 295.339 -1.617 20 0 CAADLO CC(=O)N[C@H](C)C(=O)N(C)CC[N@H+](C)CC(N)=O ZINC001271957789 775631627 /nfs/dbraw/zinc/63/16/27/775631627.db2.gz ODSOLTXZZNUDSO-MRVPVSSYSA-N 1 2 258.322 -1.614 20 0 CAADLO CC(=O)N[C@H](C)C(=O)N(C)CC[N@@H+](C)CC(N)=O ZINC001271957789 775631631 /nfs/dbraw/zinc/63/16/31/775631631.db2.gz ODSOLTXZZNUDSO-MRVPVSSYSA-N 1 2 258.322 -1.614 20 0 CAADLO Cc1nnc(C[NH2+][C@@H]2CN(C(=O)CNC(N)=O)C[C@H]2C)o1 ZINC001214120623 775635080 /nfs/dbraw/zinc/63/50/80/775635080.db2.gz MRKGTHJCQGVIRB-VXNVDRBHSA-N 1 2 296.331 -1.017 20 0 CAADLO CC(C)[C@@H](O)C(=O)NCC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001126631791 775636885 /nfs/dbraw/zinc/63/68/85/775636885.db2.gz KBELFJGVNOUFLB-SECBINFHSA-N 1 2 271.321 -1.669 20 0 CAADLO C[C@@H]1[C@@H](NC(=O)[C@H]2COCCO2)CC[N@@H+]1CC(N)=O ZINC001088475204 775638764 /nfs/dbraw/zinc/63/87/64/775638764.db2.gz OGJRQOMAJWWJKH-KXUCPTDWSA-N 1 2 271.317 -1.534 20 0 CAADLO C[C@@H]1[C@@H](NC(=O)[C@H]2COCCO2)CC[N@H+]1CC(N)=O ZINC001088475204 775638769 /nfs/dbraw/zinc/63/87/69/775638769.db2.gz OGJRQOMAJWWJKH-KXUCPTDWSA-N 1 2 271.317 -1.534 20 0 CAADLO C[C@@H]1[C@@H](NC(=O)c2nccnc2N)CC[N@@H+]1CC(N)=O ZINC001088497890 775640618 /nfs/dbraw/zinc/64/06/18/775640618.db2.gz WNUFKXBGWWISGO-SFYZADRCSA-N 1 2 278.316 -1.263 20 0 CAADLO C[C@@H]1[C@@H](NC(=O)c2nccnc2N)CC[N@H+]1CC(N)=O ZINC001088497890 775640623 /nfs/dbraw/zinc/64/06/23/775640623.db2.gz WNUFKXBGWWISGO-SFYZADRCSA-N 1 2 278.316 -1.263 20 0 CAADLO COCc1noc(C[NH2+]CCNC(=O)c2ncn(C)n2)n1 ZINC001126677916 775647131 /nfs/dbraw/zinc/64/71/31/775647131.db2.gz HPHAVSMMBIRIPJ-UHFFFAOYSA-N 1 2 295.303 -1.136 20 0 CAADLO CNC(=O)NCCC(=O)NCC[NH2+]Cc1nonc1C ZINC001126688716 775649165 /nfs/dbraw/zinc/64/91/65/775649165.db2.gz LZLFLXRLCZLTNF-UHFFFAOYSA-N 1 2 284.320 -1.097 20 0 CAADLO Cn1ncc2c1nc[nH+]c2N[C@H]1C[C@@H](NC(=O)C(N)=O)C1 ZINC001059803815 775649514 /nfs/dbraw/zinc/64/95/14/775649514.db2.gz DUFUOLDZZOBLEP-KNVOCYPGSA-N 1 2 289.299 -1.092 20 0 CAADLO CNC(=O)NCCC(=O)NCC[NH2+]Cc1nnc(C)o1 ZINC001126689277 775649531 /nfs/dbraw/zinc/64/95/31/775649531.db2.gz VJYSULUFHDRPTA-UHFFFAOYSA-N 1 2 284.320 -1.097 20 0 CAADLO Cc1nnc(CC(=O)N[C@H]2CC[N@H+](CC(N)=O)[C@@H]2C)o1 ZINC001088553731 775650846 /nfs/dbraw/zinc/65/08/46/775650846.db2.gz WRPULBLNRGLTHU-APPZFPTMSA-N 1 2 281.316 -1.015 20 0 CAADLO Cc1nnc(CC(=O)N[C@H]2CC[N@@H+](CC(N)=O)[C@@H]2C)o1 ZINC001088553731 775650855 /nfs/dbraw/zinc/65/08/55/775650855.db2.gz WRPULBLNRGLTHU-APPZFPTMSA-N 1 2 281.316 -1.015 20 0 CAADLO C[N@@H+]1CCO[C@H](C(=O)N2CCc3c(n[nH]c3C(N)=O)C2)C1 ZINC001272061421 775652807 /nfs/dbraw/zinc/65/28/07/775652807.db2.gz ZZUVXLUQJGNBSO-JTQLQIEISA-N 1 2 293.327 -1.276 20 0 CAADLO C[N@H+]1CCO[C@H](C(=O)N2CCc3c(n[nH]c3C(N)=O)C2)C1 ZINC001272061421 775652808 /nfs/dbraw/zinc/65/28/08/775652808.db2.gz ZZUVXLUQJGNBSO-JTQLQIEISA-N 1 2 293.327 -1.276 20 0 CAADLO C[N@@H+]1CCO[C@H](C(=O)N2CCc3n[nH]c(C(N)=O)c3C2)C1 ZINC001272060377 775652953 /nfs/dbraw/zinc/65/29/53/775652953.db2.gz SQMHYFKTBXWUHF-JTQLQIEISA-N 1 2 293.327 -1.276 20 0 CAADLO C[N@H+]1CCO[C@H](C(=O)N2CCc3n[nH]c(C(N)=O)c3C2)C1 ZINC001272060377 775652958 /nfs/dbraw/zinc/65/29/58/775652958.db2.gz SQMHYFKTBXWUHF-JTQLQIEISA-N 1 2 293.327 -1.276 20 0 CAADLO C[N@@H+]1CCO[C@@H](C(=O)N2[C@H]3CC[C@H]([C@H](O)C3)[C@H]2C(N)=O)C1 ZINC001272059414 775653144 /nfs/dbraw/zinc/65/31/44/775653144.db2.gz LHOQFGDOKIZFBY-KQSJRHEJSA-N 1 2 297.355 -1.457 20 0 CAADLO C[N@H+]1CCO[C@@H](C(=O)N2[C@H]3CC[C@H]([C@H](O)C3)[C@H]2C(N)=O)C1 ZINC001272059414 775653147 /nfs/dbraw/zinc/65/31/47/775653147.db2.gz LHOQFGDOKIZFBY-KQSJRHEJSA-N 1 2 297.355 -1.457 20 0 CAADLO C[N@@H+]1CCO[C@H](C(=O)N2Cc3n[nH]c(C(N)=O)c3C2)C1 ZINC001272058999 775653613 /nfs/dbraw/zinc/65/36/13/775653613.db2.gz DWVZDFUQSCTTCQ-VIFPVBQESA-N 1 2 279.300 -1.319 20 0 CAADLO C[N@H+]1CCO[C@H](C(=O)N2Cc3n[nH]c(C(N)=O)c3C2)C1 ZINC001272058999 775653620 /nfs/dbraw/zinc/65/36/20/775653620.db2.gz DWVZDFUQSCTTCQ-VIFPVBQESA-N 1 2 279.300 -1.319 20 0 CAADLO CCn1ncc(C(=O)N[C@H]2CC[N@H+](CC(N)=O)[C@@H]2C)n1 ZINC001088555347 775653803 /nfs/dbraw/zinc/65/38/03/775653803.db2.gz FNTIDWTWGOHYBF-BDAKNGLRSA-N 1 2 280.332 -1.024 20 0 CAADLO CCn1ncc(C(=O)N[C@H]2CC[N@@H+](CC(N)=O)[C@@H]2C)n1 ZINC001088555347 775653813 /nfs/dbraw/zinc/65/38/13/775653813.db2.gz FNTIDWTWGOHYBF-BDAKNGLRSA-N 1 2 280.332 -1.024 20 0 CAADLO Cn1nnc(C[NH2+]CCCNC(=O)C[C@@H]2CCC(=O)N2)n1 ZINC001168224189 775656302 /nfs/dbraw/zinc/65/63/02/775656302.db2.gz BZCXVVVQCXRIQV-VIFPVBQESA-N 1 2 295.347 -1.525 20 0 CAADLO C[C@@H]1[C@@H](NC(=O)[C@H]2C[C@@H](C)CC(=O)N2)CC[N@@H+]1CC(N)=O ZINC001088574436 775658403 /nfs/dbraw/zinc/65/84/03/775658403.db2.gz VNLBFIFJMONTGL-CHWFTXMASA-N 1 2 296.371 -1.035 20 0 CAADLO C[C@@H]1[C@@H](NC(=O)[C@H]2C[C@@H](C)CC(=O)N2)CC[N@H+]1CC(N)=O ZINC001088574436 775658415 /nfs/dbraw/zinc/65/84/15/775658415.db2.gz VNLBFIFJMONTGL-CHWFTXMASA-N 1 2 296.371 -1.035 20 0 CAADLO CC(=O)N1CC(C(=O)N[C@@H]2C[N@H+](CCF)C[C@@H]2O)C1 ZINC001083430770 775658833 /nfs/dbraw/zinc/65/88/33/775658833.db2.gz OZFDTRSKDWHIBE-MNOVXSKESA-N 1 2 273.308 -1.405 20 0 CAADLO CC(=O)N1CC(C(=O)N[C@@H]2C[N@@H+](CCF)C[C@@H]2O)C1 ZINC001083430770 775658835 /nfs/dbraw/zinc/65/88/35/775658835.db2.gz OZFDTRSKDWHIBE-MNOVXSKESA-N 1 2 273.308 -1.405 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)Cc2cncnc2)[C@@H](O)C1 ZINC001083433722 775660478 /nfs/dbraw/zinc/66/04/78/775660478.db2.gz YSMNJXXWOQWMPX-GDPRMGEGSA-N 1 2 293.327 -1.946 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)Cc2cncnc2)[C@@H](O)C1 ZINC001083433722 775660481 /nfs/dbraw/zinc/66/04/81/775660481.db2.gz YSMNJXXWOQWMPX-GDPRMGEGSA-N 1 2 293.327 -1.946 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)Cc2cncnc2)[C@@H](O)C1 ZINC001083433723 775660495 /nfs/dbraw/zinc/66/04/95/775660495.db2.gz YSMNJXXWOQWMPX-IEBDPFPHSA-N 1 2 293.327 -1.946 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)Cc2cncnc2)[C@@H](O)C1 ZINC001083433723 775660499 /nfs/dbraw/zinc/66/04/99/775660499.db2.gz YSMNJXXWOQWMPX-IEBDPFPHSA-N 1 2 293.327 -1.946 20 0 CAADLO C[C@@H](CNC(=O)C(N)=O)Nc1[nH+]cnc2c1cnn2C ZINC001098243011 775661766 /nfs/dbraw/zinc/66/17/66/775661766.db2.gz YEGXFLZZCLEJNE-LURJTMIESA-N 1 2 277.288 -1.235 20 0 CAADLO C[C@H]1C[C@@H]([NH2+]Cc2nc(=O)n(C)[nH]2)CN1C(=O)CC(N)=O ZINC000988431248 775662471 /nfs/dbraw/zinc/66/24/71/775662471.db2.gz KFKSLDBCPGLEHD-JGVFFNPUSA-N 1 2 296.331 -1.937 20 0 CAADLO CN(CC[N@H+](C)CC(N)=O)C(=O)[C@@H]1CCN(C)C1=O ZINC001272087650 775664802 /nfs/dbraw/zinc/66/48/02/775664802.db2.gz VTQLQEZFETXHGO-SECBINFHSA-N 1 2 270.333 -1.660 20 0 CAADLO CN(CC[N@@H+](C)CC(N)=O)C(=O)[C@@H]1CCN(C)C1=O ZINC001272087650 775664809 /nfs/dbraw/zinc/66/48/09/775664809.db2.gz VTQLQEZFETXHGO-SECBINFHSA-N 1 2 270.333 -1.660 20 0 CAADLO CNC(=O)C[N@@H+]1C[C@@H](NC(=O)C[C@H](C)OC)[C@H](OC)C1 ZINC001211999840 775666778 /nfs/dbraw/zinc/66/67/78/775666778.db2.gz ZMIYZHOHRCNSAT-HBNTYKKESA-N 1 2 287.360 -1.027 20 0 CAADLO CNC(=O)C[N@H+]1C[C@@H](NC(=O)C[C@H](C)OC)[C@H](OC)C1 ZINC001211999840 775666784 /nfs/dbraw/zinc/66/67/84/775666784.db2.gz ZMIYZHOHRCNSAT-HBNTYKKESA-N 1 2 287.360 -1.027 20 0 CAADLO CNC(=O)C[N@@H+]1C[C@@H](NC(=O)C[C@@H](C)OC)[C@H](OC)C1 ZINC001211999839 775666949 /nfs/dbraw/zinc/66/69/49/775666949.db2.gz ZMIYZHOHRCNSAT-GMTAPVOTSA-N 1 2 287.360 -1.027 20 0 CAADLO CNC(=O)C[N@H+]1C[C@@H](NC(=O)C[C@@H](C)OC)[C@H](OC)C1 ZINC001211999839 775666952 /nfs/dbraw/zinc/66/69/52/775666952.db2.gz ZMIYZHOHRCNSAT-GMTAPVOTSA-N 1 2 287.360 -1.027 20 0 CAADLO CNC(=O)C1(C(=O)NCCC[NH2+]Cc2nnn(C)n2)CC1 ZINC001168269611 775668473 /nfs/dbraw/zinc/66/84/73/775668473.db2.gz SXCUXHPFNSAROP-UHFFFAOYSA-N 1 2 295.347 -1.668 20 0 CAADLO CO[C@@H]1C[N@H+](Cc2ccnn2C)C[C@H]1NC(=O)CC(N)=O ZINC001212068940 775670317 /nfs/dbraw/zinc/67/03/17/775670317.db2.gz HOVHWOLGOOMPCR-GHMZBOCLSA-N 1 2 295.343 -1.389 20 0 CAADLO CO[C@@H]1C[N@@H+](Cc2ccnn2C)C[C@H]1NC(=O)CC(N)=O ZINC001212068940 775670324 /nfs/dbraw/zinc/67/03/24/775670324.db2.gz HOVHWOLGOOMPCR-GHMZBOCLSA-N 1 2 295.343 -1.389 20 0 CAADLO CO[C@@H]1C[N@H+](Cc2cncn2C)C[C@H]1NC(=O)CC(N)=O ZINC001212069254 775670815 /nfs/dbraw/zinc/67/08/15/775670815.db2.gz RGUMFWCHUIVYIJ-GHMZBOCLSA-N 1 2 295.343 -1.389 20 0 CAADLO CO[C@@H]1C[N@@H+](Cc2cncn2C)C[C@H]1NC(=O)CC(N)=O ZINC001212069254 775670824 /nfs/dbraw/zinc/67/08/24/775670824.db2.gz RGUMFWCHUIVYIJ-GHMZBOCLSA-N 1 2 295.343 -1.389 20 0 CAADLO CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)CC(N)=O)[C@H](OC)C1 ZINC001212068996 775671183 /nfs/dbraw/zinc/67/11/83/775671183.db2.gz JUXPDBMCPOQNRW-RKDXNWHRSA-N 1 2 286.332 -2.187 20 0 CAADLO CCNC(=O)C[N@H+]1C[C@@H](NC(=O)CC(N)=O)[C@H](OC)C1 ZINC001212068996 775671188 /nfs/dbraw/zinc/67/11/88/775671188.db2.gz JUXPDBMCPOQNRW-RKDXNWHRSA-N 1 2 286.332 -2.187 20 0 CAADLO O=C(N[C@@H]1C[N@H+]([C@@H]2CCCNC2=O)C[C@@H]1O)c1ncc[nH]1 ZINC001083450121 775672501 /nfs/dbraw/zinc/67/25/01/775672501.db2.gz DMJOMRWCNQZZMA-BBBLOLIVSA-N 1 2 293.327 -1.537 20 0 CAADLO O=C(N[C@@H]1C[N@@H+]([C@@H]2CCCNC2=O)C[C@@H]1O)c1ncc[nH]1 ZINC001083450121 775672505 /nfs/dbraw/zinc/67/25/05/775672505.db2.gz DMJOMRWCNQZZMA-BBBLOLIVSA-N 1 2 293.327 -1.537 20 0 CAADLO CO[C@@H]1C[N@@H+]([C@@H]2CCN(C)C2=O)C[C@H]1NC(=O)CC(N)=O ZINC001212073745 775672776 /nfs/dbraw/zinc/67/27/76/775672776.db2.gz OOGLGYWIXDCZKB-OPRDCNLKSA-N 1 2 298.343 -2.092 20 0 CAADLO CO[C@@H]1C[N@H+]([C@@H]2CCN(C)C2=O)C[C@H]1NC(=O)CC(N)=O ZINC001212073745 775672782 /nfs/dbraw/zinc/67/27/82/775672782.db2.gz OOGLGYWIXDCZKB-OPRDCNLKSA-N 1 2 298.343 -2.092 20 0 CAADLO C[C@H](C(=O)N(C)C)[N@H+]1C[C@@H](NC(=O)c2ncc[nH]2)[C@@H](O)C1 ZINC001083451024 775673815 /nfs/dbraw/zinc/67/38/15/775673815.db2.gz VROHLVZMOILXOJ-BBBLOLIVSA-N 1 2 295.343 -1.339 20 0 CAADLO C[C@H](C(=O)N(C)C)[N@@H+]1C[C@@H](NC(=O)c2ncc[nH]2)[C@@H](O)C1 ZINC001083451024 775673817 /nfs/dbraw/zinc/67/38/17/775673817.db2.gz VROHLVZMOILXOJ-BBBLOLIVSA-N 1 2 295.343 -1.339 20 0 CAADLO CN1CC[C@H]([N@H+]2C[C@@H](NC(=O)c3ncc[nH]3)[C@@H](O)C2)C1=O ZINC001083450652 775674114 /nfs/dbraw/zinc/67/41/14/775674114.db2.gz CYPRVWKGOWICOF-UTLUCORTSA-N 1 2 293.327 -1.585 20 0 CAADLO CN1CC[C@H]([N@@H+]2C[C@@H](NC(=O)c3ncc[nH]3)[C@@H](O)C2)C1=O ZINC001083450652 775674118 /nfs/dbraw/zinc/67/41/18/775674118.db2.gz CYPRVWKGOWICOF-UTLUCORTSA-N 1 2 293.327 -1.585 20 0 CAADLO C[C@@H](C(=O)N(C)C)[N@H+]1C[C@@H](NC(=O)c2ncc[nH]2)[C@@H](O)C1 ZINC001083451023 775675326 /nfs/dbraw/zinc/67/53/26/775675326.db2.gz VROHLVZMOILXOJ-AEJSXWLSSA-N 1 2 295.343 -1.339 20 0 CAADLO C[C@@H](C(=O)N(C)C)[N@@H+]1C[C@@H](NC(=O)c2ncc[nH]2)[C@@H](O)C1 ZINC001083451023 775675332 /nfs/dbraw/zinc/67/53/32/775675332.db2.gz VROHLVZMOILXOJ-AEJSXWLSSA-N 1 2 295.343 -1.339 20 0 CAADLO CN(C)C(=O)C[N@H+]1C[C@@H](NC(=O)Cn2ncnn2)[C@@H](O)C1 ZINC001083462496 775676758 /nfs/dbraw/zinc/67/67/58/775676758.db2.gz MGSJSDDFKPTBMY-BDAKNGLRSA-N 1 2 297.319 -3.077 20 0 CAADLO CN(C)C(=O)C[N@@H+]1C[C@@H](NC(=O)Cn2ncnn2)[C@@H](O)C1 ZINC001083462496 775676759 /nfs/dbraw/zinc/67/67/59/775676759.db2.gz MGSJSDDFKPTBMY-BDAKNGLRSA-N 1 2 297.319 -3.077 20 0 CAADLO C[C@H](O)C[NH+]1CC(N(C)C(=O)c2cnnn2C)C1 ZINC001042678463 775676878 /nfs/dbraw/zinc/67/68/78/775676878.db2.gz QJGOCFIEWIVFLR-QMMMGPOBSA-N 1 2 253.306 -1.048 20 0 CAADLO Cc1cnc(C[NH2+]CCN(CCO)C(=O)CC(N)=O)o1 ZINC001272129317 775677930 /nfs/dbraw/zinc/67/79/30/775677930.db2.gz DOTNJJLAQOECMK-UHFFFAOYSA-N 1 2 284.316 -1.231 20 0 CAADLO CN(CC[N@H+](C)CC(N)=O)C(=O)[C@@H]1CCC(=O)N1 ZINC001272151760 775678983 /nfs/dbraw/zinc/67/89/83/775678983.db2.gz BLAQICVLSXIRGK-QMMMGPOBSA-N 1 2 256.306 -1.860 20 0 CAADLO CN(CC[N@@H+](C)CC(N)=O)C(=O)[C@@H]1CCC(=O)N1 ZINC001272151760 775678990 /nfs/dbraw/zinc/67/89/90/775678990.db2.gz BLAQICVLSXIRGK-QMMMGPOBSA-N 1 2 256.306 -1.860 20 0 CAADLO O=C([C@H]1CC(=O)N1)N1CC2(C1)C[NH+](Cc1cn[nH]c1)C2 ZINC001272159235 775679541 /nfs/dbraw/zinc/67/95/41/775679541.db2.gz JJLDWKLTSQTJEM-SNVBAGLBSA-N 1 2 275.312 -1.058 20 0 CAADLO C[C@@H]1[C@@H](NC(=O)[C@]2(C)CCNC(=O)C2)CC[N@@H+]1CC(N)=O ZINC001088657846 775681412 /nfs/dbraw/zinc/68/14/12/775681412.db2.gz VVNHLQZQOVWJIB-ISTVAULSSA-N 1 2 296.371 -1.033 20 0 CAADLO C[C@@H]1[C@@H](NC(=O)[C@]2(C)CCNC(=O)C2)CC[N@H+]1CC(N)=O ZINC001088657846 775681418 /nfs/dbraw/zinc/68/14/18/775681418.db2.gz VVNHLQZQOVWJIB-ISTVAULSSA-N 1 2 296.371 -1.033 20 0 CAADLO C[C@@H]1[C@@H](NC(=O)[C@@]2(C)CCNC(=O)C2)CC[N@@H+]1CC(N)=O ZINC001088657845 775681911 /nfs/dbraw/zinc/68/19/11/775681911.db2.gz VVNHLQZQOVWJIB-BFVZDQMLSA-N 1 2 296.371 -1.033 20 0 CAADLO C[C@@H]1[C@@H](NC(=O)[C@@]2(C)CCNC(=O)C2)CC[N@H+]1CC(N)=O ZINC001088657845 775681917 /nfs/dbraw/zinc/68/19/17/775681917.db2.gz VVNHLQZQOVWJIB-BFVZDQMLSA-N 1 2 296.371 -1.033 20 0 CAADLO C[C@@H]1[C@@H](NC(=O)c2cc3n(n2)CCO3)CC[N@@H+]1CC(N)=O ZINC001088625071 775682338 /nfs/dbraw/zinc/68/23/38/775682338.db2.gz PVGGNGQMVOIBJZ-BDAKNGLRSA-N 1 2 293.327 -1.047 20 0 CAADLO C[C@@H]1[C@@H](NC(=O)c2cc3n(n2)CCO3)CC[N@H+]1CC(N)=O ZINC001088625071 775682346 /nfs/dbraw/zinc/68/23/46/775682346.db2.gz PVGGNGQMVOIBJZ-BDAKNGLRSA-N 1 2 293.327 -1.047 20 0 CAADLO O=C(Cn1ncnn1)N[C@@H]1C[N@H+](CCF)C[C@@H]1O ZINC001083464183 775683436 /nfs/dbraw/zinc/68/34/36/775683436.db2.gz SKZKZLKVWRLYFB-SFYZADRCSA-N 1 2 258.257 -2.196 20 0 CAADLO CNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)Cn2ncnn2)[C@@H](O)C1 ZINC001083464180 775683317 /nfs/dbraw/zinc/68/33/17/775683317.db2.gz SJMABUIXRYAFAH-YIZRAAEISA-N 1 2 297.319 -3.031 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)Cn2ncnn2)[C@@H](O)C1 ZINC001083464180 775683325 /nfs/dbraw/zinc/68/33/25/775683325.db2.gz SJMABUIXRYAFAH-YIZRAAEISA-N 1 2 297.319 -3.031 20 0 CAADLO O=C(Cn1ncnn1)N[C@@H]1C[N@@H+](CCF)C[C@@H]1O ZINC001083464183 775683430 /nfs/dbraw/zinc/68/34/30/775683430.db2.gz SKZKZLKVWRLYFB-SFYZADRCSA-N 1 2 258.257 -2.196 20 0 CAADLO CC[C@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)Cn2ncnn2)[C@@H](O)C1 ZINC001083463792 775684194 /nfs/dbraw/zinc/68/41/94/775684194.db2.gz AVOWKIGXTYDATA-HLTSFMKQSA-N 1 2 297.319 -2.902 20 0 CAADLO CC[C@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)Cn2ncnn2)[C@@H](O)C1 ZINC001083463792 775684198 /nfs/dbraw/zinc/68/41/98/775684198.db2.gz AVOWKIGXTYDATA-HLTSFMKQSA-N 1 2 297.319 -2.902 20 0 CAADLO O=C(Cn1ncnn1)N[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@@H]1O ZINC001083463877 775684220 /nfs/dbraw/zinc/68/42/20/775684220.db2.gz FMIQUCDSQPASML-VGMNWLOBSA-N 1 2 295.303 -3.277 20 0 CAADLO O=C(Cn1ncnn1)N[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@@H]1O ZINC001083463877 775684224 /nfs/dbraw/zinc/68/42/24/775684224.db2.gz FMIQUCDSQPASML-VGMNWLOBSA-N 1 2 295.303 -3.277 20 0 CAADLO O=C(Cn1ncnn1)N[C@@H]1C[N@@H+](C/C=C/Cl)C[C@@H]1O ZINC001083464670 775685744 /nfs/dbraw/zinc/68/57/44/775685744.db2.gz ROMZEQJBJUNFRC-NFXAZMQOSA-N 1 2 286.723 -1.413 20 0 CAADLO O=C(Cn1ncnn1)N[C@@H]1C[N@H+](C/C=C/Cl)C[C@@H]1O ZINC001083464670 775685747 /nfs/dbraw/zinc/68/57/47/775685747.db2.gz ROMZEQJBJUNFRC-NFXAZMQOSA-N 1 2 286.723 -1.413 20 0 CAADLO CS(=O)(=O)CCC(=O)N1CN[C@H]([NH3+])[C@H]2NCN[C@@H]21 ZINC001142535772 775685949 /nfs/dbraw/zinc/68/59/49/775685949.db2.gz BFADAGMCFSTYCA-HRDYMLBCSA-N 1 2 277.350 -3.060 20 0 CAADLO NC(=O)[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C(N)=O ZINC001168318372 775686909 /nfs/dbraw/zinc/68/69/09/775686909.db2.gz HLSTUDSSKNDORL-HTQZYQBOSA-N 1 2 265.273 -2.003 20 0 CAADLO Cn1ncc(C(=O)NCCC[NH2+]Cc2nnn(C)n2)n1 ZINC001168319877 775688856 /nfs/dbraw/zinc/68/88/56/775688856.db2.gz IWDSHTLRQRZWIL-UHFFFAOYSA-N 1 2 279.308 -1.752 20 0 CAADLO Cn1c[nH+]cc1[C@H](CO)NC(=O)CCNC(N)=O ZINC001168351037 775691044 /nfs/dbraw/zinc/69/10/44/775691044.db2.gz ZPKBPVRENVXXJB-ZETCQYMHSA-N 1 2 255.278 -1.372 20 0 CAADLO Cn1c[nH+]cc1[C@H](CO)NC(=O)Cn1cncn1 ZINC001168349768 775691233 /nfs/dbraw/zinc/69/12/33/775691233.db2.gz OMLHKYAVCXMPIN-QMMMGPOBSA-N 1 2 250.262 -1.139 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1C[C@@H]2CCN(C(=O)c3cn[nH]n3)[C@@H]2C1 ZINC001075982970 775694253 /nfs/dbraw/zinc/69/42/53/775694253.db2.gz LTUAPGXHWMJLLO-OYNCUSHFSA-N 1 2 278.316 -1.175 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1C[C@@H]2CCN(C(=O)c3cn[nH]n3)[C@@H]2C1 ZINC001075982970 775694259 /nfs/dbraw/zinc/69/42/59/775694259.db2.gz LTUAPGXHWMJLLO-OYNCUSHFSA-N 1 2 278.316 -1.175 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1C[C@@H]2CCN(C(=O)c3cn[nH]n3)[C@@H]2C1 ZINC001075982969 775694287 /nfs/dbraw/zinc/69/42/87/775694287.db2.gz LTUAPGXHWMJLLO-KHQFGBGNSA-N 1 2 278.316 -1.175 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1C[C@@H]2CCN(C(=O)c3cn[nH]n3)[C@@H]2C1 ZINC001075982969 775694290 /nfs/dbraw/zinc/69/42/90/775694290.db2.gz LTUAPGXHWMJLLO-KHQFGBGNSA-N 1 2 278.316 -1.175 20 0 CAADLO C[C@@H]1[C@@H](NC(=O)[C@@]2(C)CNC(=O)C2)CC[N@@H+]1CC(N)=O ZINC001088765647 775697307 /nfs/dbraw/zinc/69/73/07/775697307.db2.gz LILJKPLSWGPEHZ-VYUIOLGVSA-N 1 2 282.344 -1.423 20 0 CAADLO C[C@@H]1[C@@H](NC(=O)[C@@]2(C)CNC(=O)C2)CC[N@H+]1CC(N)=O ZINC001088765647 775697310 /nfs/dbraw/zinc/69/73/10/775697310.db2.gz LILJKPLSWGPEHZ-VYUIOLGVSA-N 1 2 282.344 -1.423 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)c2cc[nH]c2)[C@@H](O)C1 ZINC001083482728 775698702 /nfs/dbraw/zinc/69/87/02/775698702.db2.gz RLSPNZFNNAQMRL-IEBDPFPHSA-N 1 2 280.328 -1.076 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2cc[nH]c2)[C@@H](O)C1 ZINC001083482728 775698709 /nfs/dbraw/zinc/69/87/09/775698709.db2.gz RLSPNZFNNAQMRL-IEBDPFPHSA-N 1 2 280.328 -1.076 20 0 CAADLO O=C(N[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@@H]1O)c1cc[nH]c1 ZINC001083481951 775698837 /nfs/dbraw/zinc/69/88/37/775698837.db2.gz FVMOYYRNKLDFRX-VWYCJHECSA-N 1 2 278.312 -1.322 20 0 CAADLO O=C(N[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@@H]1O)c1cc[nH]c1 ZINC001083481951 775698846 /nfs/dbraw/zinc/69/88/46/775698846.db2.gz FVMOYYRNKLDFRX-VWYCJHECSA-N 1 2 278.312 -1.322 20 0 CAADLO CNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)Cn2nccn2)[C@@H](O)C1 ZINC001083492614 775700059 /nfs/dbraw/zinc/70/00/59/775700059.db2.gz KLLTYRPBXPPIIU-AEJSXWLSSA-N 1 2 296.331 -2.426 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)Cn2nccn2)[C@@H](O)C1 ZINC001083492614 775700070 /nfs/dbraw/zinc/70/00/70/775700070.db2.gz KLLTYRPBXPPIIU-AEJSXWLSSA-N 1 2 296.331 -2.426 20 0 CAADLO CN(C)C(=O)C[N@H+]1C[C@@H](NC(=O)Cn2nccn2)[C@@H](O)C1 ZINC001083492829 775700410 /nfs/dbraw/zinc/70/04/10/775700410.db2.gz VOTMDUBIKUZRCK-ZJUUUORDSA-N 1 2 296.331 -2.472 20 0 CAADLO CN(C)C(=O)C[N@@H+]1C[C@@H](NC(=O)Cn2nccn2)[C@@H](O)C1 ZINC001083492829 775700424 /nfs/dbraw/zinc/70/04/24/775700424.db2.gz VOTMDUBIKUZRCK-ZJUUUORDSA-N 1 2 296.331 -2.472 20 0 CAADLO CC[C@@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)Cn2nccn2)[C@@H](O)C1 ZINC001083492429 775701577 /nfs/dbraw/zinc/70/15/77/775701577.db2.gz BFOQGWLRBWFITD-UTLUCORTSA-N 1 2 296.331 -2.297 20 0 CAADLO CC[C@@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)Cn2nccn2)[C@@H](O)C1 ZINC001083492429 775701585 /nfs/dbraw/zinc/70/15/85/775701585.db2.gz BFOQGWLRBWFITD-UTLUCORTSA-N 1 2 296.331 -2.297 20 0 CAADLO O=C(Cn1nccn1)N[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@@H]1O ZINC001083492689 775701599 /nfs/dbraw/zinc/70/15/99/775701599.db2.gz OMXWTZBAXZHOEI-UTLUCORTSA-N 1 2 294.315 -2.672 20 0 CAADLO O=C(Cn1nccn1)N[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@@H]1O ZINC001083492689 775701603 /nfs/dbraw/zinc/70/16/03/775701603.db2.gz OMXWTZBAXZHOEI-UTLUCORTSA-N 1 2 294.315 -2.672 20 0 CAADLO C[C@@H]1[C@@H](NC(=O)[C@@H]2CN(C)C(=O)N2)CC[N@@H+]1CC(N)=O ZINC001088795611 775702965 /nfs/dbraw/zinc/70/29/65/775702965.db2.gz INWPVGPJXNGOAX-VGMNWLOBSA-N 1 2 283.332 -1.926 20 0 CAADLO C[C@@H]1[C@@H](NC(=O)[C@@H]2CN(C)C(=O)N2)CC[N@H+]1CC(N)=O ZINC001088795611 775702969 /nfs/dbraw/zinc/70/29/69/775702969.db2.gz INWPVGPJXNGOAX-VGMNWLOBSA-N 1 2 283.332 -1.926 20 0 CAADLO C[C@@H]1[C@@H](NC(=O)[C@@]2(C)CCC(=O)NC2)CC[N@@H+]1CC(N)=O ZINC001088808899 775704946 /nfs/dbraw/zinc/70/49/46/775704946.db2.gz XMDXPCFKGBOHBK-BFVZDQMLSA-N 1 2 296.371 -1.033 20 0 CAADLO C[C@@H]1[C@@H](NC(=O)[C@@]2(C)CCC(=O)NC2)CC[N@H+]1CC(N)=O ZINC001088808899 775704955 /nfs/dbraw/zinc/70/49/55/775704955.db2.gz XMDXPCFKGBOHBK-BFVZDQMLSA-N 1 2 296.371 -1.033 20 0 CAADLO C[C@@H]1[C@@H](NC(=O)[C@]2(C)CCC(=O)NC2)CC[N@@H+]1CC(N)=O ZINC001088808900 775705571 /nfs/dbraw/zinc/70/55/71/775705571.db2.gz XMDXPCFKGBOHBK-ISTVAULSSA-N 1 2 296.371 -1.033 20 0 CAADLO C[C@@H]1[C@@H](NC(=O)[C@]2(C)CCC(=O)NC2)CC[N@H+]1CC(N)=O ZINC001088808900 775705580 /nfs/dbraw/zinc/70/55/80/775705580.db2.gz XMDXPCFKGBOHBK-ISTVAULSSA-N 1 2 296.371 -1.033 20 0 CAADLO O=C(CN1CCOCC1=O)N[C@@H]1C[N@@H+](CCF)C[C@@H]1O ZINC001083529781 775711704 /nfs/dbraw/zinc/71/17/04/775711704.db2.gz GOBAMHXZPNLOIR-ZJUUUORDSA-N 1 2 289.307 -2.024 20 0 CAADLO O=C(CN1CCOCC1=O)N[C@@H]1C[N@H+](CCF)C[C@@H]1O ZINC001083529781 775711706 /nfs/dbraw/zinc/71/17/06/775711706.db2.gz GOBAMHXZPNLOIR-ZJUUUORDSA-N 1 2 289.307 -2.024 20 0 CAADLO CCn1ncnc1C[NH2+]CCN(CCO)C(=O)C(N)=O ZINC001272242985 775712498 /nfs/dbraw/zinc/71/24/98/775712498.db2.gz OBPCGRBZJKWONT-UHFFFAOYSA-N 1 2 284.320 -2.306 20 0 CAADLO Cc1nc(CC(=O)NCC[NH2+]Cc2cn(C)nn2)n[nH]1 ZINC001126912635 775713044 /nfs/dbraw/zinc/71/30/44/775713044.db2.gz SXGXFFUQQSTPEW-UHFFFAOYSA-N 1 2 278.320 -1.310 20 0 CAADLO C[C@@H]1[C@@H](NC(=O)C(N)=O)CC[N@@H+]1Cc1ccnn1C ZINC001088830749 775716246 /nfs/dbraw/zinc/71/62/46/775716246.db2.gz BHMRRYFXTPKPGV-SCZZXKLOSA-N 1 2 265.317 -1.016 20 0 CAADLO C[C@@H]1[C@@H](NC(=O)C(N)=O)CC[N@H+]1Cc1ccnn1C ZINC001088830749 775716255 /nfs/dbraw/zinc/71/62/55/775716255.db2.gz BHMRRYFXTPKPGV-SCZZXKLOSA-N 1 2 265.317 -1.016 20 0 CAADLO C[C@@H]1[C@@H](NC(=O)C(N)=O)CC[N@H+]1CC(=O)NC1CC1 ZINC001088831208 775716752 /nfs/dbraw/zinc/71/67/52/775716752.db2.gz ARQKLZROJBCSJB-APPZFPTMSA-N 1 2 268.317 -1.671 20 0 CAADLO C[C@@H]1[C@@H](NC(=O)C(N)=O)CC[N@@H+]1CC(=O)NC1CC1 ZINC001088831208 775716744 /nfs/dbraw/zinc/71/67/44/775716744.db2.gz ARQKLZROJBCSJB-APPZFPTMSA-N 1 2 268.317 -1.671 20 0 CAADLO C[C@@H]1[C@@H](NC(=O)C(N)=O)CC[N@@H+]1CC(=O)N(C)C1CC1 ZINC001088830970 775716977 /nfs/dbraw/zinc/71/69/77/775716977.db2.gz OAAUHQGQZDTCDF-SCZZXKLOSA-N 1 2 282.344 -1.329 20 0 CAADLO C[C@@H]1[C@@H](NC(=O)C(N)=O)CC[N@H+]1CC(=O)N(C)C1CC1 ZINC001088830970 775716984 /nfs/dbraw/zinc/71/69/84/775716984.db2.gz OAAUHQGQZDTCDF-SCZZXKLOSA-N 1 2 282.344 -1.329 20 0 CAADLO CNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)C(N)=O)[C@@H]2C1 ZINC001076193782 775718500 /nfs/dbraw/zinc/71/85/00/775718500.db2.gz QNTBYLUIEZRNLH-JGVFFNPUSA-N 1 2 254.290 -2.250 20 0 CAADLO CNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)C(N)=O)[C@@H]2C1 ZINC001076193782 775718506 /nfs/dbraw/zinc/71/85/06/775718506.db2.gz QNTBYLUIEZRNLH-JGVFFNPUSA-N 1 2 254.290 -2.250 20 0 CAADLO CNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)c3nnn(C)n3)[C@@H]2C1 ZINC001076137535 775720161 /nfs/dbraw/zinc/72/01/61/775720161.db2.gz WOUXTMNJEWXQKJ-DTWKUNHWSA-N 1 2 293.331 -1.898 20 0 CAADLO CNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)c3nnn(C)n3)[C@@H]2C1 ZINC001076137535 775720168 /nfs/dbraw/zinc/72/01/68/775720168.db2.gz WOUXTMNJEWXQKJ-DTWKUNHWSA-N 1 2 293.331 -1.898 20 0 CAADLO Cn1nncc1C[N@@H+]1C[C@@H]2CCN(C(=O)C(N)=O)[C@@H]2C1 ZINC001076198916 775722077 /nfs/dbraw/zinc/72/20/77/775722077.db2.gz UECQCXFNUPATTC-WCBMZHEXSA-N 1 2 278.316 -1.667 20 0 CAADLO Cn1nncc1C[N@H+]1C[C@@H]2CCN(C(=O)C(N)=O)[C@@H]2C1 ZINC001076198916 775722086 /nfs/dbraw/zinc/72/20/86/775722086.db2.gz UECQCXFNUPATTC-WCBMZHEXSA-N 1 2 278.316 -1.667 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)c2cn[nH]c(=O)c2)[C@@H](O)C1 ZINC001083546747 775725660 /nfs/dbraw/zinc/72/56/60/775725660.db2.gz CSJDORGRQQYKCS-VDAHYXPESA-N 1 2 295.299 -2.169 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)c2cn[nH]c(=O)c2)[C@@H](O)C1 ZINC001083546747 775725668 /nfs/dbraw/zinc/72/56/68/775725668.db2.gz CSJDORGRQQYKCS-VDAHYXPESA-N 1 2 295.299 -2.169 20 0 CAADLO Cn1ncc(C(=O)N2CC[C@H]3C[N@H+](CC(N)=O)C[C@H]32)n1 ZINC001076359904 775726285 /nfs/dbraw/zinc/72/62/85/775726285.db2.gz YZZGWKZORZVKIX-WCBMZHEXSA-N 1 2 278.316 -1.553 20 0 CAADLO Cn1ncc(C(=O)N2CC[C@H]3C[N@@H+](CC(N)=O)C[C@H]32)n1 ZINC001076359904 775726297 /nfs/dbraw/zinc/72/62/97/775726297.db2.gz YZZGWKZORZVKIX-WCBMZHEXSA-N 1 2 278.316 -1.553 20 0 CAADLO CCC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCO[C@@H](C)C2)C[C@H]1O ZINC001076654647 775734119 /nfs/dbraw/zinc/73/41/19/775734119.db2.gz XHGRAXNOWPBWNI-QJPTWQEYSA-N 1 2 299.371 -1.195 20 0 CAADLO CCC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCO[C@@H](C)C2)C[C@H]1O ZINC001076654647 775734124 /nfs/dbraw/zinc/73/41/24/775734124.db2.gz XHGRAXNOWPBWNI-QJPTWQEYSA-N 1 2 299.371 -1.195 20 0 CAADLO COC1CC(C(=O)N[C@@H]2C[N@H+](CC(=O)N(C)C)C[C@@H]2O)C1 ZINC001083551454 775734441 /nfs/dbraw/zinc/73/44/41/775734441.db2.gz MJWOFEWRFIEPIS-HCWSGVFWSA-N 1 2 299.371 -1.339 20 0 CAADLO COC1CC(C(=O)N[C@@H]2C[N@@H+](CC(=O)N(C)C)C[C@@H]2O)C1 ZINC001083551454 775734447 /nfs/dbraw/zinc/73/44/47/775734447.db2.gz MJWOFEWRFIEPIS-HCWSGVFWSA-N 1 2 299.371 -1.339 20 0 CAADLO O=C(N[C@@H]1C[N@H+]([C@@H]2CCCNC2=O)C[C@H]1O)C1CC1 ZINC001076663194 775735714 /nfs/dbraw/zinc/73/57/14/775735714.db2.gz AKSKJKUBQARLIX-GMTAPVOTSA-N 1 2 267.329 -1.164 20 0 CAADLO O=C(N[C@@H]1C[N@@H+]([C@@H]2CCCNC2=O)C[C@H]1O)C1CC1 ZINC001076663194 775735718 /nfs/dbraw/zinc/73/57/18/775735718.db2.gz AKSKJKUBQARLIX-GMTAPVOTSA-N 1 2 267.329 -1.164 20 0 CAADLO CCC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCOCC2)C[C@H]1O ZINC001076653188 775736210 /nfs/dbraw/zinc/73/62/10/775736210.db2.gz COZQWDWLNFNAJI-GHMZBOCLSA-N 1 2 285.344 -1.584 20 0 CAADLO CCC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCOCC2)C[C@H]1O ZINC001076653188 775736222 /nfs/dbraw/zinc/73/62/22/775736222.db2.gz COZQWDWLNFNAJI-GHMZBOCLSA-N 1 2 285.344 -1.584 20 0 CAADLO CCC(=O)N[C@@H]1C[N@@H+]([C@H]2CCCNC2=O)C[C@H]1O ZINC001076653612 775736245 /nfs/dbraw/zinc/73/62/45/775736245.db2.gz UOSSIRRECLBJIL-KXUCPTDWSA-N 1 2 255.318 -1.164 20 0 CAADLO CCC(=O)N[C@@H]1C[N@H+]([C@H]2CCCNC2=O)C[C@H]1O ZINC001076653612 775736252 /nfs/dbraw/zinc/73/62/52/775736252.db2.gz UOSSIRRECLBJIL-KXUCPTDWSA-N 1 2 255.318 -1.164 20 0 CAADLO CCC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCN(C)C2=O)C[C@H]1O ZINC001076653755 775736434 /nfs/dbraw/zinc/73/64/34/775736434.db2.gz AKFQOUUNNBETMM-OPRDCNLKSA-N 1 2 255.318 -1.212 20 0 CAADLO CCC(=O)N[C@@H]1C[N@H+]([C@@H]2CCN(C)C2=O)C[C@H]1O ZINC001076653755 775736440 /nfs/dbraw/zinc/73/64/40/775736440.db2.gz AKFQOUUNNBETMM-OPRDCNLKSA-N 1 2 255.318 -1.212 20 0 CAADLO CC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)NC2CC2)C[C@H]1O ZINC001076657621 775736674 /nfs/dbraw/zinc/73/66/74/775736674.db2.gz KRSXIHNKEDVNOD-AVPPRXQKSA-N 1 2 255.318 -1.165 20 0 CAADLO CC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)NC2CC2)C[C@H]1O ZINC001076657621 775736676 /nfs/dbraw/zinc/73/66/76/775736676.db2.gz KRSXIHNKEDVNOD-AVPPRXQKSA-N 1 2 255.318 -1.165 20 0 CAADLO O=C(N[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@H]1O)C1CC1 ZINC001076663267 775736746 /nfs/dbraw/zinc/73/67/46/775736746.db2.gz DXUGWSAIXHIJDF-OPRDCNLKSA-N 1 2 253.302 -1.554 20 0 CAADLO O=C(N[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@H]1O)C1CC1 ZINC001076663267 775736752 /nfs/dbraw/zinc/73/67/52/775736752.db2.gz DXUGWSAIXHIJDF-OPRDCNLKSA-N 1 2 253.302 -1.554 20 0 CAADLO CC(=O)N[C@@H]1C[N@@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1O ZINC001076656909 775737263 /nfs/dbraw/zinc/73/72/63/775737263.db2.gz MWRXVSRPWBGRKK-HRDYMLBCSA-N 1 2 255.274 -2.027 20 0 CAADLO CC(=O)N[C@@H]1C[N@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1O ZINC001076656909 775737269 /nfs/dbraw/zinc/73/72/69/775737269.db2.gz MWRXVSRPWBGRKK-HRDYMLBCSA-N 1 2 255.274 -2.027 20 0 CAADLO O=C(N[C@@H]1C[N@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1O)C1CCC1 ZINC001076665627 775737830 /nfs/dbraw/zinc/73/78/30/775737830.db2.gz XHIDWJNREBZTFZ-OUAUKWLOSA-N 1 2 295.339 -1.247 20 0 CAADLO O=C(N[C@@H]1C[N@@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1O)C1CCC1 ZINC001076665627 775737833 /nfs/dbraw/zinc/73/78/33/775737833.db2.gz XHIDWJNREBZTFZ-OUAUKWLOSA-N 1 2 295.339 -1.247 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2CC2)C1 ZINC001076661182 775738039 /nfs/dbraw/zinc/73/80/39/775738039.db2.gz QVEBIZXZWOMZON-FXBDTBDDSA-N 1 2 255.318 -1.308 20 0 CAADLO CNC(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)C2CC2)C1 ZINC001076661182 775738044 /nfs/dbraw/zinc/73/80/44/775738044.db2.gz QVEBIZXZWOMZON-FXBDTBDDSA-N 1 2 255.318 -1.308 20 0 CAADLO CN(C)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2CC2)C1 ZINC001076661305 775738282 /nfs/dbraw/zinc/73/82/82/775738282.db2.gz WTDVPNSLHCWORT-NXEZZACHSA-N 1 2 255.318 -1.354 20 0 CAADLO CN(C)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C2CC2)C1 ZINC001076661305 775738290 /nfs/dbraw/zinc/73/82/90/775738290.db2.gz WTDVPNSLHCWORT-NXEZZACHSA-N 1 2 255.318 -1.354 20 0 CAADLO O=C(N[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@H]1O)C1CCOCC1 ZINC001076675156 775738310 /nfs/dbraw/zinc/73/83/10/775738310.db2.gz NXASFDBLVSWCDE-GRYCIOLGSA-N 1 2 297.355 -1.537 20 0 CAADLO O=C(N[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@H]1O)C1CCOCC1 ZINC001076675156 775738315 /nfs/dbraw/zinc/73/83/15/775738315.db2.gz NXASFDBLVSWCDE-GRYCIOLGSA-N 1 2 297.355 -1.537 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2CC2)C1 ZINC001076661183 775738405 /nfs/dbraw/zinc/73/84/05/775738405.db2.gz QVEBIZXZWOMZON-SZEHBUNVSA-N 1 2 255.318 -1.308 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)C2CC2)C1 ZINC001076661183 775738412 /nfs/dbraw/zinc/73/84/12/775738412.db2.gz QVEBIZXZWOMZON-SZEHBUNVSA-N 1 2 255.318 -1.308 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2CCOCC2)C1 ZINC001076670277 775738505 /nfs/dbraw/zinc/73/85/05/775738505.db2.gz BUESJLVGCKIEQX-FBIMIBRVSA-N 1 2 285.344 -1.552 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)C2CCOCC2)C1 ZINC001076670277 775738510 /nfs/dbraw/zinc/73/85/10/775738510.db2.gz BUESJLVGCKIEQX-FBIMIBRVSA-N 1 2 285.344 -1.552 20 0 CAADLO O=C(N[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@H]1O)C1CCC1 ZINC001076664420 775738584 /nfs/dbraw/zinc/73/85/84/775738584.db2.gz VDSGUDFFPIGDHI-OUAUKWLOSA-N 1 2 267.329 -1.164 20 0 CAADLO O=C(N[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@H]1O)C1CCC1 ZINC001076664420 775738591 /nfs/dbraw/zinc/73/85/91/775738591.db2.gz VDSGUDFFPIGDHI-OUAUKWLOSA-N 1 2 267.329 -1.164 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2CCOCC2)C1 ZINC001076674915 775739011 /nfs/dbraw/zinc/73/90/11/775739011.db2.gz BSQNIWHUFYWZDQ-MVWJERBFSA-N 1 2 299.371 -1.291 20 0 CAADLO CNC(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)C2CCOCC2)C1 ZINC001076674915 775739022 /nfs/dbraw/zinc/73/90/22/775739022.db2.gz BSQNIWHUFYWZDQ-MVWJERBFSA-N 1 2 299.371 -1.291 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2CCC2)C1 ZINC001076665142 775739137 /nfs/dbraw/zinc/73/91/37/775739137.db2.gz BIWXADMOSOTTAT-FXBDTBDDSA-N 1 2 255.318 -1.178 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)C2CCC2)C1 ZINC001076665142 775739140 /nfs/dbraw/zinc/73/91/40/775739140.db2.gz BIWXADMOSOTTAT-FXBDTBDDSA-N 1 2 255.318 -1.178 20 0 CAADLO CN(C)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2CCOCC2)C1 ZINC001076667488 775739175 /nfs/dbraw/zinc/73/91/75/775739175.db2.gz FRACCFCEOHVYLO-VXGBXAGGSA-N 1 2 299.371 -1.338 20 0 CAADLO CN(C)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C2CCOCC2)C1 ZINC001076667488 775739185 /nfs/dbraw/zinc/73/91/85/775739185.db2.gz FRACCFCEOHVYLO-VXGBXAGGSA-N 1 2 299.371 -1.338 20 0 CAADLO O=C(N[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@H]1O)C1CCC1 ZINC001076664419 775739296 /nfs/dbraw/zinc/73/92/96/775739296.db2.gz VDSGUDFFPIGDHI-GMTAPVOTSA-N 1 2 267.329 -1.164 20 0 CAADLO O=C(N[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@H]1O)C1CCC1 ZINC001076664419 775739302 /nfs/dbraw/zinc/73/93/02/775739302.db2.gz VDSGUDFFPIGDHI-GMTAPVOTSA-N 1 2 267.329 -1.164 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2CCC2)C1 ZINC001076665143 775739333 /nfs/dbraw/zinc/73/93/33/775739333.db2.gz BIWXADMOSOTTAT-SZEHBUNVSA-N 1 2 255.318 -1.178 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)C2CCC2)C1 ZINC001076665143 775739340 /nfs/dbraw/zinc/73/93/40/775739340.db2.gz BIWXADMOSOTTAT-SZEHBUNVSA-N 1 2 255.318 -1.178 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC2CC2)C1 ZINC001076672341 775739959 /nfs/dbraw/zinc/73/99/59/775739959.db2.gz OUWSYGATPAWPDA-FXBDTBDDSA-N 1 2 255.318 -1.178 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)CC2CC2)C1 ZINC001076672341 775739966 /nfs/dbraw/zinc/73/99/66/775739966.db2.gz OUWSYGATPAWPDA-FXBDTBDDSA-N 1 2 255.318 -1.178 20 0 CAADLO O=C(CC1CC1)N[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@H]1O ZINC001076672486 775740199 /nfs/dbraw/zinc/74/01/99/775740199.db2.gz WEWAJNOBHMJIAA-GMTAPVOTSA-N 1 2 267.329 -1.164 20 0 CAADLO O=C(CC1CC1)N[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@H]1O ZINC001076672486 775740193 /nfs/dbraw/zinc/74/01/93/775740193.db2.gz WEWAJNOBHMJIAA-GMTAPVOTSA-N 1 2 267.329 -1.164 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccncc2)C1 ZINC001076681168 775740770 /nfs/dbraw/zinc/74/07/70/775740770.db2.gz YEAQQNBNOMZZAC-YUSALJHKSA-N 1 2 292.339 -1.009 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccncc2)C1 ZINC001076681168 775740778 /nfs/dbraw/zinc/74/07/78/775740778.db2.gz YEAQQNBNOMZZAC-YUSALJHKSA-N 1 2 292.339 -1.009 20 0 CAADLO O=C(CC1CC1)N[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@H]1O ZINC001076672487 775741367 /nfs/dbraw/zinc/74/13/67/775741367.db2.gz WEWAJNOBHMJIAA-OUAUKWLOSA-N 1 2 267.329 -1.164 20 0 CAADLO O=C(CC1CC1)N[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@H]1O ZINC001076672487 775741376 /nfs/dbraw/zinc/74/13/76/775741376.db2.gz WEWAJNOBHMJIAA-OUAUKWLOSA-N 1 2 267.329 -1.164 20 0 CAADLO CN(C)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2=COCCO2)C1 ZINC001076700583 775741456 /nfs/dbraw/zinc/74/14/56/775741456.db2.gz LZOQRQAPTJCVPU-NXEZZACHSA-N 1 2 299.327 -1.876 20 0 CAADLO CN(C)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C2=COCCO2)C1 ZINC001076700583 775741464 /nfs/dbraw/zinc/74/14/64/775741464.db2.gz LZOQRQAPTJCVPU-NXEZZACHSA-N 1 2 299.327 -1.876 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccncc2)C1 ZINC001076681167 775741648 /nfs/dbraw/zinc/74/16/48/775741648.db2.gz YEAQQNBNOMZZAC-MVWJERBFSA-N 1 2 292.339 -1.009 20 0 CAADLO CNC(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccncc2)C1 ZINC001076681167 775741650 /nfs/dbraw/zinc/74/16/50/775741650.db2.gz YEAQQNBNOMZZAC-MVWJERBFSA-N 1 2 292.339 -1.009 20 0 CAADLO CC[C@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2=COCCO2)C1 ZINC001076710286 775742340 /nfs/dbraw/zinc/74/23/40/775742340.db2.gz SNVWIGLNKOPXBM-OPRDCNLKSA-N 1 2 299.327 -1.700 20 0 CAADLO CC[C@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)C2=COCCO2)C1 ZINC001076710286 775742345 /nfs/dbraw/zinc/74/23/45/775742345.db2.gz SNVWIGLNKOPXBM-OPRDCNLKSA-N 1 2 299.327 -1.700 20 0 CAADLO O=C(N[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@H]1O)C1=COCCO1 ZINC001076701891 775742864 /nfs/dbraw/zinc/74/28/64/775742864.db2.gz WBIMLEZKSSCVEO-OPRDCNLKSA-N 1 2 297.311 -2.076 20 0 CAADLO O=C(N[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@H]1O)C1=COCCO1 ZINC001076701891 775742871 /nfs/dbraw/zinc/74/28/71/775742871.db2.gz WBIMLEZKSSCVEO-OPRDCNLKSA-N 1 2 297.311 -2.076 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2=COCCO2)C1 ZINC001076709768 775743257 /nfs/dbraw/zinc/74/32/57/775743257.db2.gz BEKYEBVJXAXVOX-OPRDCNLKSA-N 1 2 299.327 -1.830 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)C2=COCCO2)C1 ZINC001076709768 775743267 /nfs/dbraw/zinc/74/32/67/775743267.db2.gz BEKYEBVJXAXVOX-OPRDCNLKSA-N 1 2 299.327 -1.830 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cnnn2)C1 ZINC001076724056 775744186 /nfs/dbraw/zinc/74/41/86/775744186.db2.gz HKSHPKKGZVMWNE-IWSPIJDZSA-N 1 2 297.319 -3.031 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cnnn2)C1 ZINC001076724056 775744195 /nfs/dbraw/zinc/74/41/95/775744195.db2.gz HKSHPKKGZVMWNE-IWSPIJDZSA-N 1 2 297.319 -3.031 20 0 CAADLO CN(C)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cnnn2)C1 ZINC001076724078 775744706 /nfs/dbraw/zinc/74/47/06/775744706.db2.gz IRERDHDMJQULAY-RKDXNWHRSA-N 1 2 297.319 -3.077 20 0 CAADLO CN(C)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cnnn2)C1 ZINC001076724078 775744713 /nfs/dbraw/zinc/74/47/13/775744713.db2.gz IRERDHDMJQULAY-RKDXNWHRSA-N 1 2 297.319 -3.077 20 0 CAADLO CC[C@@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cnnn2)C1 ZINC001076722075 775745304 /nfs/dbraw/zinc/74/53/04/775745304.db2.gz POKHBZLLABGOFK-HRDYMLBCSA-N 1 2 297.319 -2.902 20 0 CAADLO CC[C@@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cnnn2)C1 ZINC001076722075 775745307 /nfs/dbraw/zinc/74/53/07/775745307.db2.gz POKHBZLLABGOFK-HRDYMLBCSA-N 1 2 297.319 -2.902 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CN2CCCC2=O)C1 ZINC001076728361 775745687 /nfs/dbraw/zinc/74/56/87/775745687.db2.gz IKLWBEXMZQQDHV-OPRDCNLKSA-N 1 2 298.343 -2.356 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)CN2CCCC2=O)C1 ZINC001076728361 775745691 /nfs/dbraw/zinc/74/56/91/775745691.db2.gz IKLWBEXMZQQDHV-OPRDCNLKSA-N 1 2 298.343 -2.356 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn(C)c2)C1 ZINC001076725659 775745823 /nfs/dbraw/zinc/74/58/23/775745823.db2.gz DNJOSBXBCFCFNT-JMJZKYOTSA-N 1 2 295.343 -1.671 20 0 CAADLO CNC(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn(C)c2)C1 ZINC001076725659 775745828 /nfs/dbraw/zinc/74/58/28/775745828.db2.gz DNJOSBXBCFCFNT-JMJZKYOTSA-N 1 2 295.343 -1.671 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cccn2)C1 ZINC001076742902 775746657 /nfs/dbraw/zinc/74/66/57/775746657.db2.gz IIUNPLKQKQFURX-IVZWLZJFSA-N 1 2 281.316 -2.082 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cccn2)C1 ZINC001076742902 775746664 /nfs/dbraw/zinc/74/66/64/775746664.db2.gz IIUNPLKQKQFURX-IVZWLZJFSA-N 1 2 281.316 -2.082 20 0 CAADLO CN(C)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc[nH]2)C1 ZINC001076736439 775746722 /nfs/dbraw/zinc/74/67/22/775746722.db2.gz TZFFFKFNCQSVJM-GHMZBOCLSA-N 1 2 280.328 -1.122 20 0 CAADLO CN(C)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc[nH]2)C1 ZINC001076736439 775746723 /nfs/dbraw/zinc/74/67/23/775746723.db2.gz TZFFFKFNCQSVJM-GHMZBOCLSA-N 1 2 280.328 -1.122 20 0 CAADLO O=C(Cn1cccn1)N[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@H]1O ZINC001076746497 775746816 /nfs/dbraw/zinc/74/68/16/775746816.db2.gz DGHATHKOZNOPOF-GMTAPVOTSA-N 1 2 293.327 -2.067 20 0 CAADLO O=C(Cn1cccn1)N[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@H]1O ZINC001076746497 775746820 /nfs/dbraw/zinc/74/68/20/775746820.db2.gz DGHATHKOZNOPOF-GMTAPVOTSA-N 1 2 293.327 -2.067 20 0 CAADLO O=C(N[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@H]1O)c1ccc[nH]1 ZINC001076736526 775747742 /nfs/dbraw/zinc/74/77/42/775747742.db2.gz XYALYXSTJWDNPQ-OUAUKWLOSA-N 1 2 278.312 -1.322 20 0 CAADLO O=C(N[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@H]1O)c1ccc[nH]1 ZINC001076736526 775747746 /nfs/dbraw/zinc/74/77/46/775747746.db2.gz XYALYXSTJWDNPQ-OUAUKWLOSA-N 1 2 278.312 -1.322 20 0 CAADLO CC(C)C(=O)N[C@@H]1C[N@@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1O ZINC001076756440 775748099 /nfs/dbraw/zinc/74/80/99/775748099.db2.gz DSZRTGWTBSDKLS-KXUCPTDWSA-N 1 2 283.328 -1.391 20 0 CAADLO CC(C)C(=O)N[C@@H]1C[N@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1O ZINC001076756440 775748105 /nfs/dbraw/zinc/74/81/05/775748105.db2.gz DSZRTGWTBSDKLS-KXUCPTDWSA-N 1 2 283.328 -1.391 20 0 CAADLO CC[C@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cccn2)C1 ZINC001076746627 775748194 /nfs/dbraw/zinc/74/81/94/775748194.db2.gz KCCWECSYKSTPSJ-GMTAPVOTSA-N 1 2 295.343 -1.692 20 0 CAADLO CC[C@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cccn2)C1 ZINC001076746627 775748198 /nfs/dbraw/zinc/74/81/98/775748198.db2.gz KCCWECSYKSTPSJ-GMTAPVOTSA-N 1 2 295.343 -1.692 20 0 CAADLO CC(C)C(=O)N[C@@H]1C[N@@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1O ZINC001076756441 775748210 /nfs/dbraw/zinc/74/82/10/775748210.db2.gz DSZRTGWTBSDKLS-OPRDCNLKSA-N 1 2 283.328 -1.391 20 0 CAADLO CC(C)C(=O)N[C@@H]1C[N@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1O ZINC001076756441 775748215 /nfs/dbraw/zinc/74/82/15/775748215.db2.gz DSZRTGWTBSDKLS-OPRDCNLKSA-N 1 2 283.328 -1.391 20 0 CAADLO CN1CC[C@@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)c3ccn[nH]3)C2)C1=O ZINC001076761862 775748707 /nfs/dbraw/zinc/74/87/07/775748707.db2.gz FUDAOYSJOXKITN-GMTAPVOTSA-N 1 2 293.327 -1.585 20 0 CAADLO CN1CC[C@@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)c3ccn[nH]3)C2)C1=O ZINC001076761862 775748712 /nfs/dbraw/zinc/74/87/12/775748712.db2.gz FUDAOYSJOXKITN-GMTAPVOTSA-N 1 2 293.327 -1.585 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cccn2C)C1 ZINC001076751056 775749020 /nfs/dbraw/zinc/74/90/20/775749020.db2.gz UNCBOEABXCWVHV-HOSYDEDBSA-N 1 2 294.355 -1.066 20 0 CAADLO CNC(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cccn2C)C1 ZINC001076751056 775749026 /nfs/dbraw/zinc/74/90/26/775749026.db2.gz UNCBOEABXCWVHV-HOSYDEDBSA-N 1 2 294.355 -1.066 20 0 CAADLO CC(C)C(=O)N[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]1O ZINC001076755529 775749181 /nfs/dbraw/zinc/74/91/81/775749181.db2.gz DFUSLPJRUVBFEQ-NXEZZACHSA-N 1 2 257.334 -1.108 20 0 CAADLO CC(C)C(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1O ZINC001076755529 775749186 /nfs/dbraw/zinc/74/91/86/775749186.db2.gz DFUSLPJRUVBFEQ-NXEZZACHSA-N 1 2 257.334 -1.108 20 0 CAADLO CC(C)C(=O)N[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@H]1O ZINC001076755593 775749456 /nfs/dbraw/zinc/74/94/56/775749456.db2.gz HMAPIOCEGQJLBU-KXUCPTDWSA-N 1 2 255.318 -1.308 20 0 CAADLO CC(C)C(=O)N[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@H]1O ZINC001076755593 775749464 /nfs/dbraw/zinc/74/94/64/775749464.db2.gz HMAPIOCEGQJLBU-KXUCPTDWSA-N 1 2 255.318 -1.308 20 0 CAADLO C[C@H](C(=O)N(C)C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccn[nH]2)C1 ZINC001076762023 775749727 /nfs/dbraw/zinc/74/97/27/775749727.db2.gz LAUYILAEEDQASJ-FBIMIBRVSA-N 1 2 295.343 -1.339 20 0 CAADLO C[C@H](C(=O)N(C)C)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccn[nH]2)C1 ZINC001076762023 775749733 /nfs/dbraw/zinc/74/97/33/775749733.db2.gz LAUYILAEEDQASJ-FBIMIBRVSA-N 1 2 295.343 -1.339 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cccn2C)C1 ZINC001076751055 775750009 /nfs/dbraw/zinc/75/00/09/775750009.db2.gz UNCBOEABXCWVHV-CKYFFXLPSA-N 1 2 294.355 -1.066 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cccn2C)C1 ZINC001076751055 775750016 /nfs/dbraw/zinc/75/00/16/775750016.db2.gz UNCBOEABXCWVHV-CKYFFXLPSA-N 1 2 294.355 -1.066 20 0 CAADLO Cn1cccc1C(=O)N[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@H]1O ZINC001076750983 775750131 /nfs/dbraw/zinc/75/01/31/775750131.db2.gz PZQIFDPLJKNJHH-YUSALJHKSA-N 1 2 292.339 -1.312 20 0 CAADLO Cn1cccc1C(=O)N[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@H]1O ZINC001076750983 775750138 /nfs/dbraw/zinc/75/01/38/775750138.db2.gz PZQIFDPLJKNJHH-YUSALJHKSA-N 1 2 292.339 -1.312 20 0 CAADLO CC(C)C(=O)N[C@@H]1C[N@H+](CC(=O)N2CCOCC2)C[C@H]1O ZINC001076755609 775750414 /nfs/dbraw/zinc/75/04/14/775750414.db2.gz IEFOHGIVYDVRDJ-VXGBXAGGSA-N 1 2 299.371 -1.338 20 0 CAADLO CC(C)C(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCOCC2)C[C@H]1O ZINC001076755609 775750417 /nfs/dbraw/zinc/75/04/17/775750417.db2.gz IEFOHGIVYDVRDJ-VXGBXAGGSA-N 1 2 299.371 -1.338 20 0 CAADLO CC[C@@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cn[nH]c2)C1 ZINC001076772258 775751012 /nfs/dbraw/zinc/75/10/12/775751012.db2.gz XKMDRLWRMMOWKA-KXUCPTDWSA-N 1 2 281.316 -1.552 20 0 CAADLO CC[C@@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cn[nH]c2)C1 ZINC001076772258 775751018 /nfs/dbraw/zinc/75/10/18/775751018.db2.gz XKMDRLWRMMOWKA-KXUCPTDWSA-N 1 2 281.316 -1.552 20 0 CAADLO C[C@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnns2)C1 ZINC001076776653 775751118 /nfs/dbraw/zinc/75/11/18/775751118.db2.gz OEVIBTFUTVCFNG-XLPZGREQSA-N 1 2 272.330 -1.306 20 0 CAADLO C[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnns2)C1 ZINC001076776653 775751125 /nfs/dbraw/zinc/75/11/25/775751125.db2.gz OEVIBTFUTVCFNG-XLPZGREQSA-N 1 2 272.330 -1.306 20 0 CAADLO C[C@@H](C(=O)N(C)C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cn[nH]c2)C1 ZINC001076772310 775751151 /nfs/dbraw/zinc/75/11/51/775751151.db2.gz ZLCDAKCRWYWSJX-JMJZKYOTSA-N 1 2 295.343 -1.339 20 0 CAADLO C[C@@H](C(=O)N(C)C)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cn[nH]c2)C1 ZINC001076772310 775751158 /nfs/dbraw/zinc/75/11/58/775751158.db2.gz ZLCDAKCRWYWSJX-JMJZKYOTSA-N 1 2 295.343 -1.339 20 0 CAADLO CC[C@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cn[nH]c2)C1 ZINC001076772259 775751866 /nfs/dbraw/zinc/75/18/66/775751866.db2.gz XKMDRLWRMMOWKA-OPRDCNLKSA-N 1 2 281.316 -1.552 20 0 CAADLO CC[C@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cn[nH]c2)C1 ZINC001076772259 775751872 /nfs/dbraw/zinc/75/18/72/775751872.db2.gz XKMDRLWRMMOWKA-OPRDCNLKSA-N 1 2 281.316 -1.552 20 0 CAADLO CN(C)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CCCO2)C1 ZINC001076759476 775752598 /nfs/dbraw/zinc/75/25/98/775752598.db2.gz UTTDKINDQLOKSO-QJPTWQEYSA-N 1 2 299.371 -1.195 20 0 CAADLO CN(C)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CCCO2)C1 ZINC001076759476 775752603 /nfs/dbraw/zinc/75/26/03/775752603.db2.gz UTTDKINDQLOKSO-QJPTWQEYSA-N 1 2 299.371 -1.195 20 0 CAADLO C[C@H](C(=O)N(C)C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccon2)C1 ZINC001076779086 775752626 /nfs/dbraw/zinc/75/26/26/775752626.db2.gz BXMROHPPBQDQKD-FBIMIBRVSA-N 1 2 296.327 -1.074 20 0 CAADLO C[C@H](C(=O)N(C)C)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccon2)C1 ZINC001076779086 775752637 /nfs/dbraw/zinc/75/26/37/775752637.db2.gz BXMROHPPBQDQKD-FBIMIBRVSA-N 1 2 296.327 -1.074 20 0 CAADLO O=C(C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCOC2)C1)N1CCC1 ZINC001076784670 775753501 /nfs/dbraw/zinc/75/35/01/775753501.db2.gz ABYVEHJSZZKVGM-IJLUTSLNSA-N 1 2 297.355 -1.584 20 0 CAADLO O=C(C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCOC2)C1)N1CCC1 ZINC001076784670 775753508 /nfs/dbraw/zinc/75/35/08/775753508.db2.gz ABYVEHJSZZKVGM-IJLUTSLNSA-N 1 2 297.355 -1.584 20 0 CAADLO CC[C@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C)n[nH]2)C1 ZINC001076782591 775754200 /nfs/dbraw/zinc/75/42/00/775754200.db2.gz RCQCMVYCGFAANF-GMTAPVOTSA-N 1 2 295.343 -1.243 20 0 CAADLO CC[C@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C)n[nH]2)C1 ZINC001076782591 775754212 /nfs/dbraw/zinc/75/42/12/775754212.db2.gz RCQCMVYCGFAANF-GMTAPVOTSA-N 1 2 295.343 -1.243 20 0 CAADLO O=C(N[C@@H]1C[N@H+](CCO)C[C@H]1O)c1cncs1 ZINC001076780953 775754333 /nfs/dbraw/zinc/75/43/33/775754333.db2.gz OLPDKCIQWYYBIG-HTQZYQBOSA-N 1 2 257.315 -1.090 20 0 CAADLO O=C(N[C@@H]1C[N@@H+](CCO)C[C@H]1O)c1cncs1 ZINC001076780953 775754334 /nfs/dbraw/zinc/75/43/34/775754334.db2.gz OLPDKCIQWYYBIG-HTQZYQBOSA-N 1 2 257.315 -1.090 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C)n[nH]2)C1 ZINC001076782692 775754459 /nfs/dbraw/zinc/75/44/59/775754459.db2.gz XCEPYJSVTRFALG-JMJZKYOTSA-N 1 2 295.343 -1.372 20 0 CAADLO CNC(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C)n[nH]2)C1 ZINC001076782692 775754466 /nfs/dbraw/zinc/75/44/66/775754466.db2.gz XCEPYJSVTRFALG-JMJZKYOTSA-N 1 2 295.343 -1.372 20 0 CAADLO O=C(C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCOC2)C1)N1CCC1 ZINC001076784671 775754811 /nfs/dbraw/zinc/75/48/11/775754811.db2.gz ABYVEHJSZZKVGM-QJPTWQEYSA-N 1 2 297.355 -1.584 20 0 CAADLO O=C(C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCOC2)C1)N1CCC1 ZINC001076784671 775754820 /nfs/dbraw/zinc/75/48/20/775754820.db2.gz ABYVEHJSZZKVGM-QJPTWQEYSA-N 1 2 297.355 -1.584 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2=COCCC2)C1 ZINC001076791883 775754889 /nfs/dbraw/zinc/75/48/89/775754889.db2.gz LELBXZWNVPWCOV-FBIMIBRVSA-N 1 2 283.328 -1.284 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)C2=COCCC2)C1 ZINC001076791883 775754892 /nfs/dbraw/zinc/75/48/92/775754892.db2.gz LELBXZWNVPWCOV-FBIMIBRVSA-N 1 2 283.328 -1.284 20 0 CAADLO CN(C)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCOC2)C1 ZINC001076794321 775755496 /nfs/dbraw/zinc/75/54/96/775755496.db2.gz YBIFWFIBPJWFSX-IJLUTSLNSA-N 1 2 299.371 -1.338 20 0 CAADLO CN(C)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCOC2)C1 ZINC001076794321 775755504 /nfs/dbraw/zinc/75/55/04/775755504.db2.gz YBIFWFIBPJWFSX-IJLUTSLNSA-N 1 2 299.371 -1.338 20 0 CAADLO Cc1cnn(CC(=O)N[C@@H]2C[N@H+]([C@@H](C)C(N)=O)C[C@H]2O)c1 ZINC001076787537 775755628 /nfs/dbraw/zinc/75/56/28/775755628.db2.gz YAAVOIKMEMTQTF-HBNTYKKESA-N 1 2 295.343 -1.773 20 0 CAADLO Cc1cnn(CC(=O)N[C@@H]2C[N@@H+]([C@@H](C)C(N)=O)C[C@H]2O)c1 ZINC001076787537 775755639 /nfs/dbraw/zinc/75/56/39/775755639.db2.gz YAAVOIKMEMTQTF-HBNTYKKESA-N 1 2 295.343 -1.773 20 0 CAADLO CC[C@@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccnn2C)C1 ZINC001076797927 775755997 /nfs/dbraw/zinc/75/59/97/775755997.db2.gz DMHGZYZNXZFXMQ-WCABBAIRSA-N 1 2 295.343 -1.541 20 0 CAADLO CC[C@@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccnn2C)C1 ZINC001076797927 775756003 /nfs/dbraw/zinc/75/60/03/775756003.db2.gz DMHGZYZNXZFXMQ-WCABBAIRSA-N 1 2 295.343 -1.541 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2=COCCC2)C1 ZINC001076801245 775756600 /nfs/dbraw/zinc/75/66/00/775756600.db2.gz ATFFQDADPKVZNP-YUSALJHKSA-N 1 2 297.355 -1.024 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)C2=COCCC2)C1 ZINC001076801245 775756607 /nfs/dbraw/zinc/75/66/07/775756607.db2.gz ATFFQDADPKVZNP-YUSALJHKSA-N 1 2 297.355 -1.024 20 0 CAADLO Cc1cn(C)nc1C(=O)NCC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001126949774 775758812 /nfs/dbraw/zinc/75/88/12/775758812.db2.gz ZCOFEZOKSZDHOJ-UHFFFAOYSA-N 1 2 293.331 -1.330 20 0 CAADLO CN(C)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC(=O)N2)C1 ZINC001076809878 775759073 /nfs/dbraw/zinc/75/90/73/775759073.db2.gz PVSBZZBZNRXNKX-OPRDCNLKSA-N 1 2 298.343 -2.486 20 0 CAADLO CN(C)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC(=O)N2)C1 ZINC001076809878 775759079 /nfs/dbraw/zinc/75/90/79/775759079.db2.gz PVSBZZBZNRXNKX-OPRDCNLKSA-N 1 2 298.343 -2.486 20 0 CAADLO CN(C)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CCOC2)C1 ZINC001076824184 775760082 /nfs/dbraw/zinc/76/00/82/775760082.db2.gz YRHQDLMGYMCISO-QJPTWQEYSA-N 1 2 299.371 -1.338 20 0 CAADLO CN(C)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CCOC2)C1 ZINC001076824184 775760073 /nfs/dbraw/zinc/76/00/73/775760073.db2.gz YRHQDLMGYMCISO-QJPTWQEYSA-N 1 2 299.371 -1.338 20 0 CAADLO CC[C@@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cc[nH]n2)C1 ZINC001076829645 775761363 /nfs/dbraw/zinc/76/13/63/775761363.db2.gz DMSSLEUGGJLYHU-OUAUKWLOSA-N 1 2 295.343 -1.623 20 0 CAADLO CC[C@@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cc[nH]n2)C1 ZINC001076829645 775761366 /nfs/dbraw/zinc/76/13/66/775761366.db2.gz DMSSLEUGGJLYHU-OUAUKWLOSA-N 1 2 295.343 -1.623 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cc[nH]n2)C1 ZINC001076829996 775761400 /nfs/dbraw/zinc/76/14/00/775761400.db2.gz JIKUQQHPQLMLIC-FBIMIBRVSA-N 1 2 295.343 -1.752 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cc[nH]n2)C1 ZINC001076829996 775761404 /nfs/dbraw/zinc/76/14/04/775761404.db2.gz JIKUQQHPQLMLIC-FBIMIBRVSA-N 1 2 295.343 -1.752 20 0 CAADLO CN(C)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2CCOC2)C1 ZINC001076824183 775762393 /nfs/dbraw/zinc/76/23/93/775762393.db2.gz YRHQDLMGYMCISO-IJLUTSLNSA-N 1 2 299.371 -1.338 20 0 CAADLO CN(C)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2CCOC2)C1 ZINC001076824183 775762398 /nfs/dbraw/zinc/76/23/98/775762398.db2.gz YRHQDLMGYMCISO-IJLUTSLNSA-N 1 2 299.371 -1.338 20 0 CAADLO O=C(Cc1ccon1)N[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@H]1O ZINC001076819977 775763201 /nfs/dbraw/zinc/76/32/01/775763201.db2.gz IEFOWNCPTMHLNE-OUAUKWLOSA-N 1 2 294.311 -1.733 20 0 CAADLO O=C(Cc1ccon1)N[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@H]1O ZINC001076819977 775763214 /nfs/dbraw/zinc/76/32/14/775763214.db2.gz IEFOWNCPTMHLNE-OUAUKWLOSA-N 1 2 294.311 -1.733 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc(=O)[nH]2)C1 ZINC001076842248 775764561 /nfs/dbraw/zinc/76/45/61/775764561.db2.gz KZRDBSJRSMQDLS-SZEHBUNVSA-N 1 2 294.311 -1.564 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc(=O)[nH]2)C1 ZINC001076842248 775764568 /nfs/dbraw/zinc/76/45/68/775764568.db2.gz KZRDBSJRSMQDLS-SZEHBUNVSA-N 1 2 294.311 -1.564 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc(=O)[nH]2)C1 ZINC001076842247 775764887 /nfs/dbraw/zinc/76/48/87/775764887.db2.gz KZRDBSJRSMQDLS-FXBDTBDDSA-N 1 2 294.311 -1.564 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc(=O)[nH]2)C1 ZINC001076842247 775764896 /nfs/dbraw/zinc/76/48/96/775764896.db2.gz KZRDBSJRSMQDLS-FXBDTBDDSA-N 1 2 294.311 -1.564 20 0 CAADLO CNC(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc[nH]c(=O)c2)C1 ZINC001076856636 775767480 /nfs/dbraw/zinc/76/74/80/775767480.db2.gz BGTQTFNMPUEGSU-NXEZZACHSA-N 1 2 294.311 -1.692 20 0 CAADLO CNC(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc[nH]c(=O)c2)C1 ZINC001076856636 775767482 /nfs/dbraw/zinc/76/74/82/775767482.db2.gz BGTQTFNMPUEGSU-NXEZZACHSA-N 1 2 294.311 -1.692 20 0 CAADLO O=C(N[C@@H]1C[N@@H+](CCF)C[C@H]1O)[C@@H]1CCNC(=O)C1 ZINC001076874120 775767957 /nfs/dbraw/zinc/76/79/57/775767957.db2.gz SUCISIJFVMDSSN-OPRDCNLKSA-N 1 2 273.308 -1.357 20 0 CAADLO O=C(N[C@@H]1C[N@H+](CCF)C[C@H]1O)[C@@H]1CCNC(=O)C1 ZINC001076874120 775767969 /nfs/dbraw/zinc/76/79/69/775767969.db2.gz SUCISIJFVMDSSN-OPRDCNLKSA-N 1 2 273.308 -1.357 20 0 CAADLO CC[C@@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cn(C)cn2)C1 ZINC001076882233 775768763 /nfs/dbraw/zinc/76/87/63/775768763.db2.gz ABWCNBDOKGZNBG-DVVUODLYSA-N 1 2 295.343 -1.541 20 0 CAADLO CC[C@@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cn(C)cn2)C1 ZINC001076882233 775768765 /nfs/dbraw/zinc/76/87/65/775768765.db2.gz ABWCNBDOKGZNBG-DVVUODLYSA-N 1 2 295.343 -1.541 20 0 CAADLO CN(C)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccn(C)c2)C1 ZINC001076881830 775768823 /nfs/dbraw/zinc/76/88/23/775768823.db2.gz XQBUSMFEEPCIER-VXGBXAGGSA-N 1 2 294.355 -1.112 20 0 CAADLO CN(C)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccn(C)c2)C1 ZINC001076881830 775768825 /nfs/dbraw/zinc/76/88/25/775768825.db2.gz XQBUSMFEEPCIER-VXGBXAGGSA-N 1 2 294.355 -1.112 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cccnc2)C1 ZINC001076885952 775769057 /nfs/dbraw/zinc/76/90/57/775769057.db2.gz SRTDSFKLRIPFGN-YUSALJHKSA-N 1 2 292.339 -1.341 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cccnc2)C1 ZINC001076885952 775769065 /nfs/dbraw/zinc/76/90/65/775769065.db2.gz SRTDSFKLRIPFGN-YUSALJHKSA-N 1 2 292.339 -1.341 20 0 CAADLO Cn1ccc(C(=O)N[C@@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@H]2O)c1 ZINC001076881003 775769235 /nfs/dbraw/zinc/76/92/35/775769235.db2.gz CAQOYLYRCCVEJR-IJLUTSLNSA-N 1 2 292.339 -1.312 20 0 CAADLO Cn1ccc(C(=O)N[C@@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]2O)c1 ZINC001076881003 775769242 /nfs/dbraw/zinc/76/92/42/775769242.db2.gz CAQOYLYRCCVEJR-IJLUTSLNSA-N 1 2 292.339 -1.312 20 0 CAADLO Cn1ccc(C(=O)N[C@@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@H]2O)c1 ZINC001076881002 775769889 /nfs/dbraw/zinc/76/98/89/775769889.db2.gz CAQOYLYRCCVEJR-GRYCIOLGSA-N 1 2 292.339 -1.312 20 0 CAADLO Cn1ccc(C(=O)N[C@@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]2O)c1 ZINC001076881002 775769898 /nfs/dbraw/zinc/76/98/98/775769898.db2.gz CAQOYLYRCCVEJR-GRYCIOLGSA-N 1 2 292.339 -1.312 20 0 CAADLO O=C(Cc1ccoc1)N[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@H]1O ZINC001076920312 775775959 /nfs/dbraw/zinc/77/59/59/775775959.db2.gz BQUUMVZLTUEKRK-GRYCIOLGSA-N 1 2 293.323 -1.128 20 0 CAADLO O=C(Cc1ccoc1)N[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@H]1O ZINC001076920312 775775964 /nfs/dbraw/zinc/77/59/64/775775964.db2.gz BQUUMVZLTUEKRK-GRYCIOLGSA-N 1 2 293.323 -1.128 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2=CCOCC2)C1 ZINC001076920680 775776361 /nfs/dbraw/zinc/77/63/61/775776361.db2.gz TZTCNHGOHAGUQN-YUSALJHKSA-N 1 2 297.355 -1.371 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)C2=CCOCC2)C1 ZINC001076920680 775776370 /nfs/dbraw/zinc/77/63/70/775776370.db2.gz TZTCNHGOHAGUQN-YUSALJHKSA-N 1 2 297.355 -1.371 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2=CCOCC2)C1 ZINC001076918015 775776683 /nfs/dbraw/zinc/77/66/83/775776683.db2.gz HWULEMNOWYMFQU-JMJZKYOTSA-N 1 2 283.328 -1.632 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)C2=CCOCC2)C1 ZINC001076918015 775776689 /nfs/dbraw/zinc/77/66/89/775776689.db2.gz HWULEMNOWYMFQU-JMJZKYOTSA-N 1 2 283.328 -1.632 20 0 CAADLO CC[C@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnnn2C)C1 ZINC001076949074 775780668 /nfs/dbraw/zinc/78/06/68/775780668.db2.gz WQGDPFJQMSEZNZ-NQMVMOMDSA-N 1 2 296.331 -2.146 20 0 CAADLO CC[C@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnnn2C)C1 ZINC001076949074 775780675 /nfs/dbraw/zinc/78/06/75/775780675.db2.gz WQGDPFJQMSEZNZ-NQMVMOMDSA-N 1 2 296.331 -2.146 20 0 CAADLO CC[C@@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnnn2C)C1 ZINC001076949073 775780952 /nfs/dbraw/zinc/78/09/52/775780952.db2.gz WQGDPFJQMSEZNZ-KHQFGBGNSA-N 1 2 296.331 -2.146 20 0 CAADLO CC[C@@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnnn2C)C1 ZINC001076949073 775780956 /nfs/dbraw/zinc/78/09/56/775780956.db2.gz WQGDPFJQMSEZNZ-KHQFGBGNSA-N 1 2 296.331 -2.146 20 0 CAADLO C[C@H](C(=O)N(C)C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ncc[nH]2)C1 ZINC001076971835 775783377 /nfs/dbraw/zinc/78/33/77/775783377.db2.gz VROHLVZMOILXOJ-OPRDCNLKSA-N 1 2 295.343 -1.339 20 0 CAADLO C[C@H](C(=O)N(C)C)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ncc[nH]2)C1 ZINC001076971835 775783386 /nfs/dbraw/zinc/78/33/86/775783386.db2.gz VROHLVZMOILXOJ-OPRDCNLKSA-N 1 2 295.343 -1.339 20 0 CAADLO Cc1nc(CC(=O)N[C@@H]2C[N@H+](C[C@@H](C)O)C[C@H]2O)n[nH]1 ZINC001076980694 775784807 /nfs/dbraw/zinc/78/48/07/775784807.db2.gz PYULUQJOFXUFBV-SZEHBUNVSA-N 1 2 283.332 -1.802 20 0 CAADLO Cc1nc(CC(=O)N[C@@H]2C[N@@H+](C[C@@H](C)O)C[C@H]2O)n[nH]1 ZINC001076980694 775784813 /nfs/dbraw/zinc/78/48/13/775784813.db2.gz PYULUQJOFXUFBV-SZEHBUNVSA-N 1 2 283.332 -1.802 20 0 CAADLO O=C(N[C@@H]1C[N@H+]([C@@H]2CCCNC2=O)C[C@H]1O)c1ncc[nH]1 ZINC001076972443 775785106 /nfs/dbraw/zinc/78/51/06/775785106.db2.gz DMJOMRWCNQZZMA-OPRDCNLKSA-N 1 2 293.327 -1.537 20 0 CAADLO O=C(N[C@@H]1C[N@@H+]([C@@H]2CCCNC2=O)C[C@H]1O)c1ncc[nH]1 ZINC001076972443 775785113 /nfs/dbraw/zinc/78/51/13/775785113.db2.gz DMJOMRWCNQZZMA-OPRDCNLKSA-N 1 2 293.327 -1.537 20 0 CAADLO Cc1nnc(CC(=O)N[C@@H]2C[N@H+](CCF)C[C@H]2O)[nH]1 ZINC001076980652 775786207 /nfs/dbraw/zinc/78/62/07/775786207.db2.gz OJMNVPIBVURLTF-RKDXNWHRSA-N 1 2 271.296 -1.214 20 0 CAADLO Cc1nnc(CC(=O)N[C@@H]2C[N@@H+](CCF)C[C@H]2O)[nH]1 ZINC001076980652 775786216 /nfs/dbraw/zinc/78/62/16/775786216.db2.gz OJMNVPIBVURLTF-RKDXNWHRSA-N 1 2 271.296 -1.214 20 0 CAADLO O=C(Cn1ncnn1)N[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@H]1O ZINC001077001660 775787950 /nfs/dbraw/zinc/78/79/50/775787950.db2.gz FMIQUCDSQPASML-HRDYMLBCSA-N 1 2 295.303 -3.277 20 0 CAADLO O=C(Cn1ncnn1)N[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@H]1O ZINC001077001660 775787954 /nfs/dbraw/zinc/78/79/54/775787954.db2.gz FMIQUCDSQPASML-HRDYMLBCSA-N 1 2 295.303 -3.277 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2ncnn2)C1 ZINC001077001911 775788151 /nfs/dbraw/zinc/78/81/51/775788151.db2.gz RPIAICOWKRLUDF-BWZBUEFSSA-N 1 2 283.292 -3.292 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2ncnn2)C1 ZINC001077001911 775788154 /nfs/dbraw/zinc/78/81/54/775788154.db2.gz RPIAICOWKRLUDF-BWZBUEFSSA-N 1 2 283.292 -3.292 20 0 CAADLO O=C(Cn1ncnn1)N[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@H]1O ZINC001077001661 775788340 /nfs/dbraw/zinc/78/83/40/775788340.db2.gz FMIQUCDSQPASML-IWSPIJDZSA-N 1 2 295.303 -3.277 20 0 CAADLO O=C(Cn1ncnn1)N[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@H]1O ZINC001077001661 775788342 /nfs/dbraw/zinc/78/83/42/775788342.db2.gz FMIQUCDSQPASML-IWSPIJDZSA-N 1 2 295.303 -3.277 20 0 CAADLO CN(C)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2ncnn2)C1 ZINC001077001792 775788567 /nfs/dbraw/zinc/78/85/67/775788567.db2.gz MGSJSDDFKPTBMY-RKDXNWHRSA-N 1 2 297.319 -3.077 20 0 CAADLO CN(C)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2ncnn2)C1 ZINC001077001792 775788571 /nfs/dbraw/zinc/78/85/71/775788571.db2.gz MGSJSDDFKPTBMY-RKDXNWHRSA-N 1 2 297.319 -3.077 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2ncnn2)C1 ZINC001077001912 775788685 /nfs/dbraw/zinc/78/86/85/775788685.db2.gz RPIAICOWKRLUDF-XLPZGREQSA-N 1 2 283.292 -3.292 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2ncnn2)C1 ZINC001077001912 775788689 /nfs/dbraw/zinc/78/86/89/775788689.db2.gz RPIAICOWKRLUDF-XLPZGREQSA-N 1 2 283.292 -3.292 20 0 CAADLO CC(C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2CS(=O)(=O)C2)C1 ZINC001077054658 775790437 /nfs/dbraw/zinc/79/04/37/775790437.db2.gz WHUHNIVZFXLODE-NXEZZACHSA-N 1 2 276.358 -1.399 20 0 CAADLO CC(C)[N@H+]1C[C@@H](O)[C@H](NC(=O)C2CS(=O)(=O)C2)C1 ZINC001077054658 775790447 /nfs/dbraw/zinc/79/04/47/775790447.db2.gz WHUHNIVZFXLODE-NXEZZACHSA-N 1 2 276.358 -1.399 20 0 CAADLO O=C(Cn1nccn1)N[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@H]1O ZINC001077065648 775791758 /nfs/dbraw/zinc/79/17/58/775791758.db2.gz OMXWTZBAXZHOEI-KXUCPTDWSA-N 1 2 294.315 -2.672 20 0 CAADLO O=C(Cn1nccn1)N[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@H]1O ZINC001077065648 775791770 /nfs/dbraw/zinc/79/17/70/775791770.db2.gz OMXWTZBAXZHOEI-KXUCPTDWSA-N 1 2 294.315 -2.672 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2nccn2)C1 ZINC001077063550 775792073 /nfs/dbraw/zinc/79/20/73/775792073.db2.gz SCVOFKVGPRYWCN-DJLDLDEBSA-N 1 2 282.304 -2.687 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2nccn2)C1 ZINC001077063550 775792083 /nfs/dbraw/zinc/79/20/83/775792083.db2.gz SCVOFKVGPRYWCN-DJLDLDEBSA-N 1 2 282.304 -2.687 20 0 CAADLO O=C(C[C@@H]1CCNC1=O)N[C@@H]1C[N@@H+](CCF)C[C@H]1O ZINC001077125280 775797580 /nfs/dbraw/zinc/79/75/80/775797580.db2.gz MMTJQSROMXCGMS-IVZWLZJFSA-N 1 2 273.308 -1.357 20 0 CAADLO O=C(C[C@@H]1CCNC1=O)N[C@@H]1C[N@H+](CCF)C[C@H]1O ZINC001077125280 775797587 /nfs/dbraw/zinc/79/75/87/775797587.db2.gz MMTJQSROMXCGMS-IVZWLZJFSA-N 1 2 273.308 -1.357 20 0 CAADLO C[C@@H]1CN(C)C[C@H](C(=O)N[C@@H]2C[N@H+](CCO)C[C@@H]2O)O1 ZINC001083565177 775797783 /nfs/dbraw/zinc/79/77/83/775797783.db2.gz FNNRQLVXHAFNIH-WISYIIOYSA-N 1 2 287.360 -2.141 20 0 CAADLO C[C@@H]1CN(C)C[C@H](C(=O)N[C@@H]2C[N@@H+](CCO)C[C@@H]2O)O1 ZINC001083565177 775797788 /nfs/dbraw/zinc/79/77/88/775797788.db2.gz FNNRQLVXHAFNIH-WISYIIOYSA-N 1 2 287.360 -2.141 20 0 CAADLO O=C(N[C@@H]1C[N@@H+](CCF)C[C@H]1O)[C@H]1CCCNC1=O ZINC001077176087 775799317 /nfs/dbraw/zinc/79/93/17/775799317.db2.gz OXKQWAZYQFGTJN-IVZWLZJFSA-N 1 2 273.308 -1.357 20 0 CAADLO O=C(N[C@@H]1C[N@H+](CCF)C[C@H]1O)[C@H]1CCCNC1=O ZINC001077176087 775799321 /nfs/dbraw/zinc/79/93/21/775799321.db2.gz OXKQWAZYQFGTJN-IVZWLZJFSA-N 1 2 273.308 -1.357 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cncs2)C1 ZINC001077179705 775799417 /nfs/dbraw/zinc/79/94/17/775799417.db2.gz QRJABSHQABZOQF-FXBDTBDDSA-N 1 2 298.368 -1.279 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cncs2)C1 ZINC001077179705 775799421 /nfs/dbraw/zinc/79/94/21/775799421.db2.gz QRJABSHQABZOQF-FXBDTBDDSA-N 1 2 298.368 -1.279 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cncs2)C1 ZINC001077179706 775799464 /nfs/dbraw/zinc/79/94/64/775799464.db2.gz QRJABSHQABZOQF-SZEHBUNVSA-N 1 2 298.368 -1.279 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cncs2)C1 ZINC001077179706 775799471 /nfs/dbraw/zinc/79/94/71/775799471.db2.gz QRJABSHQABZOQF-SZEHBUNVSA-N 1 2 298.368 -1.279 20 0 CAADLO O=C(N[C@@H]1C[N@@H+](CCF)C[C@H]1O)[C@@H]1CCCNC1=O ZINC001077176089 775801172 /nfs/dbraw/zinc/80/11/72/775801172.db2.gz OXKQWAZYQFGTJN-OPRDCNLKSA-N 1 2 273.308 -1.357 20 0 CAADLO O=C(N[C@@H]1C[N@H+](CCF)C[C@H]1O)[C@@H]1CCCNC1=O ZINC001077176089 775801184 /nfs/dbraw/zinc/80/11/84/775801184.db2.gz OXKQWAZYQFGTJN-OPRDCNLKSA-N 1 2 273.308 -1.357 20 0 CAADLO Cc1[nH]c(=O)[nH]c1C(=O)N[C@@H]1C[N@H+]([C@H](C)C(N)=O)C[C@H]1O ZINC001077184141 775801548 /nfs/dbraw/zinc/80/15/48/775801548.db2.gz RBVSFXOLOLJJPR-BWZBUEFSSA-N 1 2 297.315 -1.928 20 0 CAADLO Cc1[nH]c(=O)[nH]c1C(=O)N[C@@H]1C[N@@H+]([C@H](C)C(N)=O)C[C@H]1O ZINC001077184141 775801563 /nfs/dbraw/zinc/80/15/63/775801563.db2.gz RBVSFXOLOLJJPR-BWZBUEFSSA-N 1 2 297.315 -1.928 20 0 CAADLO COC1CC(C(=O)N[C@@H]2C[N@H+](CC(=O)N(C)C)C[C@H]2O)C1 ZINC001077191857 775802195 /nfs/dbraw/zinc/80/21/95/775802195.db2.gz MJWOFEWRFIEPIS-KIDURHIOSA-N 1 2 299.371 -1.339 20 0 CAADLO COC1CC(C(=O)N[C@@H]2C[N@@H+](CC(=O)N(C)C)C[C@H]2O)C1 ZINC001077191857 775802204 /nfs/dbraw/zinc/80/22/04/775802204.db2.gz MJWOFEWRFIEPIS-KIDURHIOSA-N 1 2 299.371 -1.339 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnc[nH]c2=O)C1 ZINC001077199229 775802333 /nfs/dbraw/zinc/80/23/33/775802333.db2.gz DKRGQZOUVGUMTL-NBEYISGCSA-N 1 2 295.299 -2.169 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnc[nH]c2=O)C1 ZINC001077199229 775802337 /nfs/dbraw/zinc/80/23/37/775802337.db2.gz DKRGQZOUVGUMTL-NBEYISGCSA-N 1 2 295.299 -2.169 20 0 CAADLO C[C@@H](CCNC(=O)Cn1cc[nH+]c1)NC(=O)CC(N)=O ZINC001077182168 775803808 /nfs/dbraw/zinc/80/38/08/775803808.db2.gz DDJLBKYJKLAVFW-VIFPVBQESA-N 1 2 281.316 -1.231 20 0 CAADLO CN1CC[C@@H](C(=O)N[C@@H]2C[N@H+](CCF)C[C@H]2O)CC1=O ZINC001077245121 775805506 /nfs/dbraw/zinc/80/55/06/775805506.db2.gz MPOFBMBIKCNHPM-GMTAPVOTSA-N 1 2 287.335 -1.014 20 0 CAADLO CN1CC[C@@H](C(=O)N[C@@H]2C[N@@H+](CCF)C[C@H]2O)CC1=O ZINC001077245121 775805515 /nfs/dbraw/zinc/80/55/15/775805515.db2.gz MPOFBMBIKCNHPM-GMTAPVOTSA-N 1 2 287.335 -1.014 20 0 CAADLO C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CN(CCO)C[C@H]1O ZINC001077236247 775806732 /nfs/dbraw/zinc/80/67/32/775806732.db2.gz HJJZXDICGIOPFC-IJLUTSLNSA-N 1 2 271.361 -1.376 20 0 CAADLO C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CN(CCO)C[C@H]1O ZINC001077236247 775806739 /nfs/dbraw/zinc/80/67/39/775806739.db2.gz HJJZXDICGIOPFC-IJLUTSLNSA-N 1 2 271.361 -1.376 20 0 CAADLO C[C@@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cn[nH]n2)C1 ZINC001077288108 775813345 /nfs/dbraw/zinc/81/33/45/775813345.db2.gz FILIQPHZPVBTEQ-FTLITQJKSA-N 1 2 255.278 -2.040 20 0 CAADLO C[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cn[nH]n2)C1 ZINC001077288108 775813347 /nfs/dbraw/zinc/81/33/47/775813347.db2.gz FILIQPHZPVBTEQ-FTLITQJKSA-N 1 2 255.278 -2.040 20 0 CAADLO C[C@@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn[nH]2)C1 ZINC001077288108 775813354 /nfs/dbraw/zinc/81/33/54/775813354.db2.gz FILIQPHZPVBTEQ-FTLITQJKSA-N 1 2 255.278 -2.040 20 0 CAADLO C[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn[nH]2)C1 ZINC001077288108 775813361 /nfs/dbraw/zinc/81/33/61/775813361.db2.gz FILIQPHZPVBTEQ-FTLITQJKSA-N 1 2 255.278 -2.040 20 0 CAADLO C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CN(CCO)C[C@@H]1O ZINC001083571679 775816793 /nfs/dbraw/zinc/81/67/93/775816793.db2.gz HJJZXDICGIOPFC-WOPDTQHZSA-N 1 2 271.361 -1.376 20 0 CAADLO C[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CN(CCO)C[C@@H]1O ZINC001083571679 775816802 /nfs/dbraw/zinc/81/68/02/775816802.db2.gz HJJZXDICGIOPFC-WOPDTQHZSA-N 1 2 271.361 -1.376 20 0 CAADLO CC(C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCS(=O)(=O)C2)C1 ZINC001077335333 775817194 /nfs/dbraw/zinc/81/71/94/775817194.db2.gz MECMDAKWXVZJKS-GMTAPVOTSA-N 1 2 290.385 -1.009 20 0 CAADLO CC(C)[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCS(=O)(=O)C2)C1 ZINC001077335333 775817202 /nfs/dbraw/zinc/81/72/02/775817202.db2.gz MECMDAKWXVZJKS-GMTAPVOTSA-N 1 2 290.385 -1.009 20 0 CAADLO CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCS(=O)(=O)C2)C1 ZINC001077333631 775817773 /nfs/dbraw/zinc/81/77/73/775817773.db2.gz MVYQZPXUUACORP-OPRDCNLKSA-N 1 2 276.358 -1.398 20 0 CAADLO CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCS(=O)(=O)C2)C1 ZINC001077333631 775817781 /nfs/dbraw/zinc/81/77/81/775817781.db2.gz MVYQZPXUUACORP-OPRDCNLKSA-N 1 2 276.358 -1.398 20 0 CAADLO CC[C@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cncn2C)C1 ZINC001077318603 775818214 /nfs/dbraw/zinc/81/82/14/775818214.db2.gz DJBKSTZYPSTPNQ-FXPVBKGRSA-N 1 2 295.343 -1.541 20 0 CAADLO CC[C@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cncn2C)C1 ZINC001077318603 775818222 /nfs/dbraw/zinc/81/82/22/775818222.db2.gz DJBKSTZYPSTPNQ-FXPVBKGRSA-N 1 2 295.343 -1.541 20 0 CAADLO CN1CC[C@@H](C(=O)N[C@@H]2C[N@H+](CCF)C[C@@H]2O)CC1=O ZINC001083577891 775824247 /nfs/dbraw/zinc/82/42/47/775824247.db2.gz MPOFBMBIKCNHPM-MXWKQRLJSA-N 1 2 287.335 -1.014 20 0 CAADLO CN1CC[C@@H](C(=O)N[C@@H]2C[N@@H+](CCF)C[C@@H]2O)CC1=O ZINC001083577891 775824258 /nfs/dbraw/zinc/82/42/58/775824258.db2.gz MPOFBMBIKCNHPM-MXWKQRLJSA-N 1 2 287.335 -1.014 20 0 CAADLO O=C(CN1CCCNC1=O)N[C@@H]1C[N@@H+](CCF)C[C@@H]1O ZINC001083601255 775830672 /nfs/dbraw/zinc/83/06/72/775830672.db2.gz MEILTKPXDYMUDU-ZJUUUORDSA-N 1 2 288.323 -1.468 20 0 CAADLO O=C(CN1CCCNC1=O)N[C@@H]1C[N@H+](CCF)C[C@@H]1O ZINC001083601255 775830679 /nfs/dbraw/zinc/83/06/79/775830679.db2.gz MEILTKPXDYMUDU-ZJUUUORDSA-N 1 2 288.323 -1.468 20 0 CAADLO O=C(N[C@@H]1C[N@H+](CCn2cccn2)C[C@@H]1O)c1cn[nH]n1 ZINC001083596714 775830910 /nfs/dbraw/zinc/83/09/10/775830910.db2.gz LYEJWQMUIATGCW-MNOVXSKESA-N 1 2 291.315 -1.524 20 0 CAADLO O=C(N[C@@H]1C[N@@H+](CCn2cccn2)C[C@@H]1O)c1cnn[nH]1 ZINC001083596714 775830918 /nfs/dbraw/zinc/83/09/18/775830918.db2.gz LYEJWQMUIATGCW-MNOVXSKESA-N 1 2 291.315 -1.524 20 0 CAADLO O=C(N[C@@H]1C[N@H+](CCn2cccn2)C[C@@H]1O)c1cnn[nH]1 ZINC001083596714 775830920 /nfs/dbraw/zinc/83/09/20/775830920.db2.gz LYEJWQMUIATGCW-MNOVXSKESA-N 1 2 291.315 -1.524 20 0 CAADLO COCC(=O)NC[C@H](O)CNc1[nH+]cnc2c1cnn2C ZINC001105701241 775834934 /nfs/dbraw/zinc/83/49/34/775834934.db2.gz UMJAZLCSQPYXLW-QMMMGPOBSA-N 1 2 294.315 -1.101 20 0 CAADLO CCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCS(=O)(=O)C2)[C@@H](O)C1 ZINC001083617758 775835173 /nfs/dbraw/zinc/83/51/73/775835173.db2.gz BBMOJHKWNMSTHG-AXFHLTTASA-N 1 2 290.385 -1.008 20 0 CAADLO CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCS(=O)(=O)C2)[C@@H](O)C1 ZINC001083617758 775835181 /nfs/dbraw/zinc/83/51/81/775835181.db2.gz BBMOJHKWNMSTHG-AXFHLTTASA-N 1 2 290.385 -1.008 20 0 CAADLO Cn1nc(N[C@@H]2CCC[N@@H+](C3COC3)C2)c(=O)n(C)c1=O ZINC001168371319 775835624 /nfs/dbraw/zinc/83/56/24/775835624.db2.gz DHWYEJMZMHPEPD-SECBINFHSA-N 1 2 295.343 -1.246 20 0 CAADLO Cn1nc(N[C@@H]2CCC[N@H+](C3COC3)C2)c(=O)n(C)c1=O ZINC001168371319 775835627 /nfs/dbraw/zinc/83/56/27/775835627.db2.gz DHWYEJMZMHPEPD-SECBINFHSA-N 1 2 295.343 -1.246 20 0 CAADLO CC(C)[N@H+]1C[C@@H](NC(=O)[C@@H]2CCS(=O)(=O)C2)[C@@H](O)C1 ZINC001083618003 775835788 /nfs/dbraw/zinc/83/57/88/775835788.db2.gz MECMDAKWXVZJKS-MXWKQRLJSA-N 1 2 290.385 -1.009 20 0 CAADLO CC(C)[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCS(=O)(=O)C2)[C@@H](O)C1 ZINC001083618003 775835794 /nfs/dbraw/zinc/83/57/94/775835794.db2.gz MECMDAKWXVZJKS-MXWKQRLJSA-N 1 2 290.385 -1.009 20 0 CAADLO CNC(=O)CC(=O)N1CCC(OC2C[NH+](CCO)C2)CC1 ZINC001105704210 775837017 /nfs/dbraw/zinc/83/70/17/775837017.db2.gz SWCFRQUNJSGUJG-UHFFFAOYSA-N 1 2 299.371 -1.193 20 0 CAADLO C[C@@H]1[C@@H](NC(=O)[C@]2(C)CCC(=O)N2)CC[N@@H+]1CC(N)=O ZINC001088839306 775837481 /nfs/dbraw/zinc/83/74/81/775837481.db2.gz FARQEXAWFHXWLL-ZDMBXUJBSA-N 1 2 282.344 -1.281 20 0 CAADLO C[C@@H]1[C@@H](NC(=O)[C@]2(C)CCC(=O)N2)CC[N@H+]1CC(N)=O ZINC001088839306 775837488 /nfs/dbraw/zinc/83/74/88/775837488.db2.gz FARQEXAWFHXWLL-ZDMBXUJBSA-N 1 2 282.344 -1.281 20 0 CAADLO Cc1nc(NC[C@@H](O)CNC(=O)CNC(N)=O)cc[nH+]1 ZINC001105710388 775839828 /nfs/dbraw/zinc/83/98/28/775839828.db2.gz DKAWSXTUNRVJPN-MRVPVSSYSA-N 1 2 282.304 -1.658 20 0 CAADLO O=C(NC[C@@H]1CC[N@@H+]1[C@H]1CCNC1=O)c1cnc[nH]c1=O ZINC001038383427 775846031 /nfs/dbraw/zinc/84/60/31/775846031.db2.gz BWUFQWIJRZMDEJ-WPRPVWTQSA-N 1 2 291.311 -1.125 20 0 CAADLO O=C(NC[C@@H]1CC[N@H+]1[C@H]1CCNC1=O)c1cnc[nH]c1=O ZINC001038383427 775846037 /nfs/dbraw/zinc/84/60/37/775846037.db2.gz BWUFQWIJRZMDEJ-WPRPVWTQSA-N 1 2 291.311 -1.125 20 0 CAADLO NC(=O)C(=O)NCC[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001060233575 775848466 /nfs/dbraw/zinc/84/84/66/775848466.db2.gz YGEDLZUNDMMNCA-SECBINFHSA-N 1 2 293.327 -1.208 20 0 CAADLO CCN1CCOC[C@H]1C(=O)N1CC[N@H+](C)[C@H](CO)C1 ZINC000913545859 775852521 /nfs/dbraw/zinc/85/25/21/775852521.db2.gz BYLITSPYJVLLFG-RYUDHWBXSA-N 1 2 271.361 -1.158 20 0 CAADLO CCN1CCOC[C@H]1C(=O)N1CC[N@@H+](C)[C@H](CO)C1 ZINC000913545859 775852526 /nfs/dbraw/zinc/85/25/26/775852526.db2.gz BYLITSPYJVLLFG-RYUDHWBXSA-N 1 2 271.361 -1.158 20 0 CAADLO CCN1CCOC[C@@H]1C(=O)N1CC[N@H+](C)[C@@H](CO)C1 ZINC000913545860 775852931 /nfs/dbraw/zinc/85/29/31/775852931.db2.gz BYLITSPYJVLLFG-VXGBXAGGSA-N 1 2 271.361 -1.158 20 0 CAADLO CCN1CCOC[C@@H]1C(=O)N1CC[N@@H+](C)[C@@H](CO)C1 ZINC000913545860 775852935 /nfs/dbraw/zinc/85/29/35/775852935.db2.gz BYLITSPYJVLLFG-VXGBXAGGSA-N 1 2 271.361 -1.158 20 0 CAADLO C[C@@H](CC(=O)NC(C(N)=O)C(N)=O)n1cc[nH+]c1 ZINC001127114667 775856194 /nfs/dbraw/zinc/85/61/94/775856194.db2.gz VQIRQNQLSIPUMI-LURJTMIESA-N 1 2 253.262 -1.710 20 0 CAADLO Cc1nc(NC[C@H](O)CNC(=O)CC(N)=O)cc[nH+]1 ZINC001105761748 775858572 /nfs/dbraw/zinc/85/85/72/775858572.db2.gz BMPXKAVUWAJKLM-QMMMGPOBSA-N 1 2 267.289 -1.451 20 0 CAADLO NC(=O)C(=O)N1CC[C@@H](CCNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001060273661 775859266 /nfs/dbraw/zinc/85/92/66/775859266.db2.gz LZXQKWBLTBTBSI-SECBINFHSA-N 1 2 293.327 -1.208 20 0 CAADLO NC(=O)C(=O)N1CC[C@H](CCNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001060275742 775859528 /nfs/dbraw/zinc/85/95/28/775859528.db2.gz PUJLRINUDUNFNN-VIFPVBQESA-N 1 2 293.327 -1.208 20 0 CAADLO NC(=O)C(=O)N1CC[C@@H](CCNC(=O)Cn2cc[nH+]c2)C1 ZINC001060282202 775862770 /nfs/dbraw/zinc/86/27/70/775862770.db2.gz VNDRNJBTJOTHBE-SNVBAGLBSA-N 1 2 293.327 -1.277 20 0 CAADLO Cc1nc(NC[C@@H](O)CNC(=O)Cn2cncn2)cc[nH+]1 ZINC001105838958 775867039 /nfs/dbraw/zinc/86/70/39/775867039.db2.gz JICQDKREGUNUKK-SNVBAGLBSA-N 1 2 291.315 -1.034 20 0 CAADLO Cc1nc(NC[C@H](O)CNC(=O)Cn2cncn2)cc[nH+]1 ZINC001105838957 775867189 /nfs/dbraw/zinc/86/71/89/775867189.db2.gz JICQDKREGUNUKK-JTQLQIEISA-N 1 2 291.315 -1.034 20 0 CAADLO O=C(NC[C@H](O)C[NH2+]CCO)C(F)C(F)(F)F ZINC001272426553 775909385 /nfs/dbraw/zinc/90/93/85/775909385.db2.gz USOUHYYWWHUKDX-RITPCOANSA-N 1 2 262.203 -1.054 20 0 CAADLO O=C(NC[C@H](O)C[NH2+]CCO)[C@H](F)C(F)(F)F ZINC001272426553 775909394 /nfs/dbraw/zinc/90/93/94/775909394.db2.gz USOUHYYWWHUKDX-RITPCOANSA-N 1 2 262.203 -1.054 20 0 CAADLO C[C@@H](CC(=O)NCC[NH2+]Cc1cnon1)NC(N)=O ZINC001127155533 775869885 /nfs/dbraw/zinc/86/98/85/775869885.db2.gz RATQKQHHGOCORI-ZETCQYMHSA-N 1 2 270.293 -1.278 20 0 CAADLO Cc1nc(NC[C@H](O)CNC(=O)[C@@H]2CCC(=O)N2)cc[nH+]1 ZINC001105922679 775871385 /nfs/dbraw/zinc/87/13/85/775871385.db2.gz WBFKJSLPOGBTCD-UWVGGRQHSA-N 1 2 293.327 -1.047 20 0 CAADLO Cc1nc(NC[C@@H](O)CNC(=O)Cn2nccn2)cc[nH+]1 ZINC001105980280 775873622 /nfs/dbraw/zinc/87/36/22/775873622.db2.gz OXBQZOVXKHYMIQ-SNVBAGLBSA-N 1 2 291.315 -1.034 20 0 CAADLO Cc1nc(NC[C@@H](O)CNC(=O)Cn2ncnn2)cc[nH+]1 ZINC001105975515 775874182 /nfs/dbraw/zinc/87/41/82/775874182.db2.gz XTOZENGZEYQXHS-SECBINFHSA-N 1 2 292.303 -1.639 20 0 CAADLO C[C@@H]1[C@@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)CC[N@@H+]1CC(N)=O ZINC001088855964 775876080 /nfs/dbraw/zinc/87/60/80/775876080.db2.gz OCDBENTYGJDLDY-XFWSIPNHSA-N 1 2 298.343 -1.916 20 0 CAADLO C[C@@H]1[C@@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)CC[N@H+]1CC(N)=O ZINC001088855964 775876084 /nfs/dbraw/zinc/87/60/84/775876084.db2.gz OCDBENTYGJDLDY-XFWSIPNHSA-N 1 2 298.343 -1.916 20 0 CAADLO C[C@H](O)C[NH+]1CCN(C(=O)C(=O)N2CC=C[C@@H]2CO)CC1 ZINC001120492202 775876330 /nfs/dbraw/zinc/87/63/30/775876330.db2.gz ZEGBUAHRWUJHSF-NWDGAFQWSA-N 1 2 297.355 -1.729 20 0 CAADLO O=C(N[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1O)c1cnco1 ZINC001077473984 775876682 /nfs/dbraw/zinc/87/66/82/775876682.db2.gz SLYHOYAQSRGXSW-NXEZZACHSA-N 1 2 292.299 -1.259 20 0 CAADLO O=C(N[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1O)c1cnco1 ZINC001077473984 775876689 /nfs/dbraw/zinc/87/66/89/775876689.db2.gz SLYHOYAQSRGXSW-NXEZZACHSA-N 1 2 292.299 -1.259 20 0 CAADLO C[C@H](O)C[NH+]1CCN(C(=O)C(=O)N2CC=C[C@H]2CO)CC1 ZINC001120492204 775877070 /nfs/dbraw/zinc/87/70/70/775877070.db2.gz ZEGBUAHRWUJHSF-RYUDHWBXSA-N 1 2 297.355 -1.729 20 0 CAADLO Cc1nc(NC[C@@H](O)CNC(=O)[C@@H]2CCNC2=O)cc[nH+]1 ZINC001106060116 775879862 /nfs/dbraw/zinc/87/98/62/775879862.db2.gz NWAUFBXIGYYXGZ-NXEZZACHSA-N 1 2 293.327 -1.190 20 0 CAADLO Cc1nc(NC[C@@H](O)CNC(=O)c2nnn(C)n2)cc[nH+]1 ZINC001106054086 775880145 /nfs/dbraw/zinc/88/01/45/775880145.db2.gz FRYQYGKUGKIKKL-MRVPVSSYSA-N 1 2 292.303 -1.489 20 0 CAADLO COC[C@H](C)[NH+]1CC(NC(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001030626811 775880740 /nfs/dbraw/zinc/88/07/40/775880740.db2.gz SYXBDKOMCYDRNW-VIFPVBQESA-N 1 2 296.327 -1.216 20 0 CAADLO COC[C@@H](C)[NH+]1CC(NC(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001030626810 775881352 /nfs/dbraw/zinc/88/13/52/775881352.db2.gz SYXBDKOMCYDRNW-SECBINFHSA-N 1 2 296.327 -1.216 20 0 CAADLO C[C@@H](O)C[NH+]1CC(NC(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001030625719 775881627 /nfs/dbraw/zinc/88/16/27/775881627.db2.gz ZWPWSAGCJZULQN-MRVPVSSYSA-N 1 2 282.300 -1.870 20 0 CAADLO NC(=O)N1CCC[C@@H](C(=O)NC2C[NH+](CCCO)C2)C1 ZINC001030637594 775882393 /nfs/dbraw/zinc/88/23/93/775882393.db2.gz WFSYYLZCZVAOIA-SNVBAGLBSA-N 1 2 284.360 -1.040 20 0 CAADLO NC(=O)N1CCC[C@@H](C(=O)NC2C[NH+](CCO)C2)C1 ZINC001030636229 775882889 /nfs/dbraw/zinc/88/28/89/775882889.db2.gz JRWSQQZRQOWVGT-SECBINFHSA-N 1 2 270.333 -1.430 20 0 CAADLO CC[C@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2c[nH]nc2C)C1 ZINC001077484195 775885078 /nfs/dbraw/zinc/88/50/78/775885078.db2.gz QJNHPKJRTNYAFV-GMTAPVOTSA-N 1 2 295.343 -1.243 20 0 CAADLO CC[C@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2c[nH]nc2C)C1 ZINC001077484195 775885084 /nfs/dbraw/zinc/88/50/84/775885084.db2.gz QJNHPKJRTNYAFV-GMTAPVOTSA-N 1 2 295.343 -1.243 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2c[nH]nc2C)C1 ZINC001077484214 775886389 /nfs/dbraw/zinc/88/63/89/775886389.db2.gz RGAJYKMORXESHC-FBIMIBRVSA-N 1 2 295.343 -1.372 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2c[nH]nc2C)C1 ZINC001077484214 775886396 /nfs/dbraw/zinc/88/63/96/775886396.db2.gz RGAJYKMORXESHC-FBIMIBRVSA-N 1 2 295.343 -1.372 20 0 CAADLO Cc1nc(NC[C@H](O)CNC(=O)[C@H]2CNC(=O)N2)cc[nH+]1 ZINC001106088699 775887818 /nfs/dbraw/zinc/88/78/18/775887818.db2.gz KGJXIUJKRIERJY-DTWKUNHWSA-N 1 2 294.315 -1.645 20 0 CAADLO Cc1nc(NC[C@H](O)CNC(=O)[C@@H]2CNC(=O)N2)cc[nH+]1 ZINC001106088701 775887842 /nfs/dbraw/zinc/88/78/42/775887842.db2.gz KGJXIUJKRIERJY-IUCAKERBSA-N 1 2 294.315 -1.645 20 0 CAADLO C[C@@H](C(=O)N[C@H]1CC[N@H+](CC(N)=O)[C@@H]1C)N1CCOCC1 ZINC001089084507 775888477 /nfs/dbraw/zinc/88/84/77/775888477.db2.gz PFRBKYOAXKMKDB-WOPDTQHZSA-N 1 2 298.387 -1.229 20 0 CAADLO C[C@@H](C(=O)N[C@H]1CC[N@@H+](CC(N)=O)[C@@H]1C)N1CCOCC1 ZINC001089084507 775888485 /nfs/dbraw/zinc/88/84/85/775888485.db2.gz PFRBKYOAXKMKDB-WOPDTQHZSA-N 1 2 298.387 -1.229 20 0 CAADLO Cc1nc(NC[C@@H](O)CNC(=O)C(N)=O)cc[nH+]1 ZINC001106097433 775889215 /nfs/dbraw/zinc/88/92/15/775889215.db2.gz HBDXDGRSYNFSKG-SSDOTTSWSA-N 1 2 253.262 -1.841 20 0 CAADLO CC[C@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2[nH]nnc2C)C1 ZINC001077496252 775891198 /nfs/dbraw/zinc/89/11/98/775891198.db2.gz NKVFVCRQLQYQSL-IWSPIJDZSA-N 1 2 296.331 -1.848 20 0 CAADLO CC[C@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2[nH]nnc2C)C1 ZINC001077496252 775891204 /nfs/dbraw/zinc/89/12/04/775891204.db2.gz NKVFVCRQLQYQSL-IWSPIJDZSA-N 1 2 296.331 -1.848 20 0 CAADLO C[C@@H](CCNC(=O)Cc1c[nH+]cn1C)NC(=O)C(N)=O ZINC001077501275 775894081 /nfs/dbraw/zinc/89/40/81/775894081.db2.gz SPQIFNRYPKYXRX-QMMMGPOBSA-N 1 2 281.316 -1.541 20 0 CAADLO O=C(CN1CCNC(=O)C1)N[C@@H]1C[N@@H+](CCF)C[C@H]1O ZINC001077508048 775894568 /nfs/dbraw/zinc/89/45/68/775894568.db2.gz JQUJMDPPAISBJL-NXEZZACHSA-N 1 2 288.323 -2.451 20 0 CAADLO O=C(CN1CCNC(=O)C1)N[C@@H]1C[N@H+](CCF)C[C@H]1O ZINC001077508048 775894584 /nfs/dbraw/zinc/89/45/84/775894584.db2.gz JQUJMDPPAISBJL-NXEZZACHSA-N 1 2 288.323 -2.451 20 0 CAADLO CN(C)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCNC2=O)C1 ZINC001077506931 775895784 /nfs/dbraw/zinc/89/57/84/775895784.db2.gz PNRCERUNSRSUFD-OPRDCNLKSA-N 1 2 298.343 -2.628 20 0 CAADLO CN(C)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCNC2=O)C1 ZINC001077506931 775895795 /nfs/dbraw/zinc/89/57/95/775895795.db2.gz PNRCERUNSRSUFD-OPRDCNLKSA-N 1 2 298.343 -2.628 20 0 CAADLO Cc1nc(NC[C@H](O)CNC(=O)[C@H]2C[C@H]2C(N)=O)cc[nH+]1 ZINC001106119606 775900093 /nfs/dbraw/zinc/90/00/93/775900093.db2.gz OUFSDQAYMHWFHW-AEJSXWLSSA-N 1 2 293.327 -1.205 20 0 CAADLO CC[C@@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)c2c[nH]nc2C)[C@@H](O)C1 ZINC001083686911 775910206 /nfs/dbraw/zinc/91/02/06/775910206.db2.gz QJNHPKJRTNYAFV-VWYCJHECSA-N 1 2 295.343 -1.243 20 0 CAADLO CC[C@@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)c2c[nH]nc2C)[C@@H](O)C1 ZINC001083686911 775910217 /nfs/dbraw/zinc/91/02/17/775910217.db2.gz QJNHPKJRTNYAFV-VWYCJHECSA-N 1 2 295.343 -1.243 20 0 CAADLO Cn1ncc(C[NH2+][C@@H]2CCN(S(C)(=O)=O)C2)n1 ZINC000400164911 775912843 /nfs/dbraw/zinc/91/28/43/775912843.db2.gz IDZCSZAUHWSBRK-MRVPVSSYSA-N 1 2 259.335 -1.061 20 0 CAADLO CCNC(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)CC(=O)NC ZINC001233899032 775913998 /nfs/dbraw/zinc/91/39/98/775913998.db2.gz VVJSXNZMOHHXMS-JTQLQIEISA-N 1 2 284.360 -1.209 20 0 CAADLO CCNC(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)CC(=O)NC ZINC001233899032 775914003 /nfs/dbraw/zinc/91/40/03/775914003.db2.gz VVJSXNZMOHHXMS-JTQLQIEISA-N 1 2 284.360 -1.209 20 0 CAADLO CCNC(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)CC(=O)NC ZINC001233899034 775914024 /nfs/dbraw/zinc/91/40/24/775914024.db2.gz VVJSXNZMOHHXMS-SNVBAGLBSA-N 1 2 284.360 -1.209 20 0 CAADLO CCNC(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)CC(=O)NC ZINC001233899034 775914034 /nfs/dbraw/zinc/91/40/34/775914034.db2.gz VVJSXNZMOHHXMS-SNVBAGLBSA-N 1 2 284.360 -1.209 20 0 CAADLO O=C(CN1CCNC(=O)C1)N[C@@H]1C[N@@H+](CCF)C[C@@H]1O ZINC001083697155 775915956 /nfs/dbraw/zinc/91/59/56/775915956.db2.gz JQUJMDPPAISBJL-ZJUUUORDSA-N 1 2 288.323 -2.451 20 0 CAADLO O=C(CN1CCNC(=O)C1)N[C@@H]1C[N@H+](CCF)C[C@@H]1O ZINC001083697155 775915966 /nfs/dbraw/zinc/91/59/66/775915966.db2.gz JQUJMDPPAISBJL-ZJUUUORDSA-N 1 2 288.323 -2.451 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)c2c[nH]c(=O)n2C)[C@@H](O)C1 ZINC001083700039 775917442 /nfs/dbraw/zinc/91/74/42/775917442.db2.gz ZGKVNFYYSYTNGZ-OOZYFLPDSA-N 1 2 297.315 -2.226 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)c2c[nH]c(=O)n2C)[C@@H](O)C1 ZINC001083700039 775917453 /nfs/dbraw/zinc/91/74/53/775917453.db2.gz ZGKVNFYYSYTNGZ-OOZYFLPDSA-N 1 2 297.315 -2.226 20 0 CAADLO C[C@@H]1C[C@H]1C(=O)N[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@@H]1O ZINC001083701709 775920944 /nfs/dbraw/zinc/92/09/44/775920944.db2.gz QPMZBHNIGQAIOS-DBIOUOCHSA-N 1 2 269.345 -1.108 20 0 CAADLO C[C@@H]1C[C@H]1C(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@@H]1O ZINC001083701709 775920956 /nfs/dbraw/zinc/92/09/56/775920956.db2.gz QPMZBHNIGQAIOS-DBIOUOCHSA-N 1 2 269.345 -1.108 20 0 CAADLO CC[C@@H](F)C[N@H+]1C[C@@H](NC(=O)c2nnn(C)n2)[C@@H](O)C1 ZINC001083706282 775922767 /nfs/dbraw/zinc/92/27/67/775922767.db2.gz SYVGMIPMRVLLJG-HLTSFMKQSA-N 1 2 286.311 -1.267 20 0 CAADLO CC[C@@H](F)C[N@@H+]1C[C@@H](NC(=O)c2nnn(C)n2)[C@@H](O)C1 ZINC001083706282 775922776 /nfs/dbraw/zinc/92/27/76/775922776.db2.gz SYVGMIPMRVLLJG-HLTSFMKQSA-N 1 2 286.311 -1.267 20 0 CAADLO CC(C)[C@H](CNC(=O)[C@@H](C)N1CC[NH2+]CC1=O)ON ZINC001121993855 775927056 /nfs/dbraw/zinc/92/70/56/775927056.db2.gz FREAMAFTPPWICZ-ZJUUUORDSA-N 1 2 272.349 -1.162 20 0 CAADLO CN1C(=O)COCC12C[NH+](C[C@@H]1CCC(=O)N1)C2 ZINC001272528270 775928278 /nfs/dbraw/zinc/92/82/78/775928278.db2.gz SPUNSFYYXRXWPL-VIFPVBQESA-N 1 2 253.302 -1.192 20 0 CAADLO O=C1CC[C@H](C[NH+]2CC3(C2)COCC(=O)N3C2COC2)N1 ZINC001272528267 775928297 /nfs/dbraw/zinc/92/82/97/775928297.db2.gz SMPYUNHSXGZLFY-SNVBAGLBSA-N 1 2 295.339 -1.423 20 0 CAADLO NC(=O)C(=O)NC[C@@H](O)C[NH2+]Cc1csnn1 ZINC001272514183 775928627 /nfs/dbraw/zinc/92/86/27/775928627.db2.gz UBOLWIYCCGHAGC-LURJTMIESA-N 1 2 259.291 -2.410 20 0 CAADLO NC(=O)C(=O)NC[C@H](O)C[NH2+]Cc1csnn1 ZINC001272514185 775928999 /nfs/dbraw/zinc/92/89/99/775928999.db2.gz UBOLWIYCCGHAGC-ZCFIWIBFSA-N 1 2 259.291 -2.410 20 0 CAADLO CN(C[C@H]1CCN1C(=O)CC(N)=O)C(=O)Cc1[nH]cc[nH+]1 ZINC001289996260 775930693 /nfs/dbraw/zinc/93/06/93/775930693.db2.gz PDBBKPKSZSKLBX-SECBINFHSA-N 1 2 293.327 -1.113 20 0 CAADLO O=C(N[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@@H]1O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001083709453 775930710 /nfs/dbraw/zinc/93/07/10/775930710.db2.gz PRGSWUYPKJUJGL-MCNAKINOSA-N 1 2 295.339 -2.071 20 0 CAADLO O=C(N[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@@H]1O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001083709453 775930716 /nfs/dbraw/zinc/93/07/16/775930716.db2.gz PRGSWUYPKJUJGL-MCNAKINOSA-N 1 2 295.339 -2.071 20 0 CAADLO NC(=O)C(=O)NCC[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001060463517 775935403 /nfs/dbraw/zinc/93/54/03/775935403.db2.gz XEYLLOGBLDVHQP-SECBINFHSA-N 1 2 293.327 -1.208 20 0 CAADLO CN1CC[C@H](C(=O)N[C@@H]2C[N@H+](CCF)C[C@@H]2O)C1=O ZINC001083711238 775937374 /nfs/dbraw/zinc/93/73/74/775937374.db2.gz ZTOSGDPVLOUKRF-BBBLOLIVSA-N 1 2 273.308 -1.405 20 0 CAADLO CN1CC[C@H](C(=O)N[C@@H]2C[N@@H+](CCF)C[C@@H]2O)C1=O ZINC001083711238 775937379 /nfs/dbraw/zinc/93/73/79/775937379.db2.gz ZTOSGDPVLOUKRF-BBBLOLIVSA-N 1 2 273.308 -1.405 20 0 CAADLO CC[C@@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)[C@@H](O)C1 ZINC001083711688 775937671 /nfs/dbraw/zinc/93/76/71/775937671.db2.gz SSZBWIDCSZCFCO-NAFSEIKSSA-N 1 2 297.355 -1.696 20 0 CAADLO CC[C@@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)[C@@H](O)C1 ZINC001083711688 775937681 /nfs/dbraw/zinc/93/76/81/775937681.db2.gz SSZBWIDCSZCFCO-NAFSEIKSSA-N 1 2 297.355 -1.696 20 0 CAADLO CC[C@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)[C@@H](O)C1 ZINC001083711687 775938805 /nfs/dbraw/zinc/93/88/05/775938805.db2.gz SSZBWIDCSZCFCO-MCNAKINOSA-N 1 2 297.355 -1.696 20 0 CAADLO CC[C@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)[C@@H](O)C1 ZINC001083711687 775938808 /nfs/dbraw/zinc/93/88/08/775938808.db2.gz SSZBWIDCSZCFCO-MCNAKINOSA-N 1 2 297.355 -1.696 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)[C@@H](O)C1 ZINC001083711506 775938954 /nfs/dbraw/zinc/93/89/54/775938954.db2.gz LZAMTMRYTLORJQ-UUFBCVLASA-N 1 2 283.328 -2.086 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)[C@@H](O)C1 ZINC001083711506 775938962 /nfs/dbraw/zinc/93/89/62/775938962.db2.gz LZAMTMRYTLORJQ-UUFBCVLASA-N 1 2 283.328 -2.086 20 0 CAADLO NC(=O)C(=O)N[C@@H]1C[N@H+](CCC(F)(F)F)C[C@@H]1O ZINC001083744644 775973783 /nfs/dbraw/zinc/97/37/83/775973783.db2.gz WIQPNOJSPPCYCW-RITPCOANSA-N 1 2 269.223 -1.415 20 0 CAADLO NC(=O)C(=O)N[C@@H]1C[N@@H+](CCC(F)(F)F)C[C@@H]1O ZINC001083744644 775973792 /nfs/dbraw/zinc/97/37/92/775973792.db2.gz WIQPNOJSPPCYCW-RITPCOANSA-N 1 2 269.223 -1.415 20 0 CAADLO CC1(C)CC[C@H](CNC(=O)C(N)=O)[N@H+](CC(N)=O)C1 ZINC001099202333 775947566 /nfs/dbraw/zinc/94/75/66/775947566.db2.gz ACQJMDCUANUOLF-MRVPVSSYSA-N 1 2 270.333 -1.436 20 0 CAADLO CC1(C)CC[C@H](CNC(=O)C(N)=O)[N@@H+](CC(N)=O)C1 ZINC001099202333 775947576 /nfs/dbraw/zinc/94/75/76/775947576.db2.gz ACQJMDCUANUOLF-MRVPVSSYSA-N 1 2 270.333 -1.436 20 0 CAADLO CC[C@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001077535122 775950400 /nfs/dbraw/zinc/95/04/00/775950400.db2.gz SSZBWIDCSZCFCO-OHUUWBQVSA-N 1 2 297.355 -1.696 20 0 CAADLO CC[C@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001077535122 775950410 /nfs/dbraw/zinc/95/04/10/775950410.db2.gz SSZBWIDCSZCFCO-OHUUWBQVSA-N 1 2 297.355 -1.696 20 0 CAADLO CN(C)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001077536150 775952225 /nfs/dbraw/zinc/95/22/25/775952225.db2.gz BJQDQVKCDGJNHI-TUTUZKQUSA-N 1 2 297.355 -1.872 20 0 CAADLO CN(C)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001077536150 775952231 /nfs/dbraw/zinc/95/22/31/775952231.db2.gz BJQDQVKCDGJNHI-TUTUZKQUSA-N 1 2 297.355 -1.872 20 0 CAADLO CN1N=C(C(=O)N2CC[N@H+](C)C[C@@H]2CO)CCC1=O ZINC000699538011 775954023 /nfs/dbraw/zinc/95/40/23/775954023.db2.gz QGZOWHAKCCDOHE-SECBINFHSA-N 1 2 268.317 -1.271 20 0 CAADLO CN1N=C(C(=O)N2CC[N@@H+](C)C[C@@H]2CO)CCC1=O ZINC000699538011 775954031 /nfs/dbraw/zinc/95/40/31/775954031.db2.gz QGZOWHAKCCDOHE-SECBINFHSA-N 1 2 268.317 -1.271 20 0 CAADLO CN1N=C(C(=O)N2CC[N@H+](C)C[C@H]2CO)CCC1=O ZINC000699538014 775954566 /nfs/dbraw/zinc/95/45/66/775954566.db2.gz QGZOWHAKCCDOHE-VIFPVBQESA-N 1 2 268.317 -1.271 20 0 CAADLO CN1N=C(C(=O)N2CC[N@@H+](C)C[C@H]2CO)CCC1=O ZINC000699538014 775954572 /nfs/dbraw/zinc/95/45/72/775954572.db2.gz QGZOWHAKCCDOHE-VIFPVBQESA-N 1 2 268.317 -1.271 20 0 CAADLO C[N@@H+]1CCN(C(=O)[C@@H]2CSC(=O)N2)[C@@H](CO)C1 ZINC000699475136 775955372 /nfs/dbraw/zinc/95/53/72/775955372.db2.gz PSTDBYSNBCCDHR-SFYZADRCSA-N 1 2 259.331 -1.054 20 0 CAADLO C[N@H+]1CCN(C(=O)[C@@H]2CSC(=O)N2)[C@@H](CO)C1 ZINC000699475136 775955379 /nfs/dbraw/zinc/95/53/79/775955379.db2.gz PSTDBYSNBCCDHR-SFYZADRCSA-N 1 2 259.331 -1.054 20 0 CAADLO C[C@@H](C(N)=O)[N@H+](C)CCCNC(=O)CS(C)(=O)=O ZINC001234967562 775957592 /nfs/dbraw/zinc/95/75/92/775957592.db2.gz QQIFLWBNKVRZOP-QMMMGPOBSA-N 1 2 279.362 -1.657 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+](C)CCCNC(=O)CS(C)(=O)=O ZINC001234967562 775957600 /nfs/dbraw/zinc/95/76/00/775957600.db2.gz QQIFLWBNKVRZOP-QMMMGPOBSA-N 1 2 279.362 -1.657 20 0 CAADLO O=C(N[C@@H]1C[N@H+](CCO)C[C@@H]1O)[C@@H]1CCCc2n[nH]nc21 ZINC001083734652 775960347 /nfs/dbraw/zinc/96/03/47/775960347.db2.gz OPJMXGTYWCWRLS-IEBDPFPHSA-N 1 2 295.343 -1.622 20 0 CAADLO O=C(N[C@@H]1C[N@@H+](CCO)C[C@@H]1O)[C@@H]1CCCc2n[nH]nc21 ZINC001083734652 775960356 /nfs/dbraw/zinc/96/03/56/775960356.db2.gz OPJMXGTYWCWRLS-IEBDPFPHSA-N 1 2 295.343 -1.622 20 0 CAADLO NC(=O)NCC(=O)NCC[NH2+]Cc1nc(C(F)F)no1 ZINC001123235703 775963417 /nfs/dbraw/zinc/96/34/17/775963417.db2.gz PRRNMRWMRFHKIK-UHFFFAOYSA-N 1 2 292.246 -1.119 20 0 CAADLO C[C@H]([NH2+]CCNC(=O)CNC(N)=O)c1csnn1 ZINC001123242442 775964491 /nfs/dbraw/zinc/96/44/91/775964491.db2.gz QYQMEWWIHZOPFF-LURJTMIESA-N 1 2 272.334 -1.027 20 0 CAADLO Cc1nnc(C[NH2+]CCNC(=O)Cn2cnnn2)o1 ZINC001123313205 775965147 /nfs/dbraw/zinc/96/51/47/775965147.db2.gz OXRIBMPZEGTJFZ-UHFFFAOYSA-N 1 2 266.265 -1.729 20 0 CAADLO Cc1nsc(C)c1C[N@H+]1C[C@@H](NC(=O)C(N)=O)[C@@H](O)C1 ZINC001083743842 775968884 /nfs/dbraw/zinc/96/88/84/775968884.db2.gz KFYURVCYPIAMRR-ZJUUUORDSA-N 1 2 298.368 -1.093 20 0 CAADLO Cc1nsc(C)c1C[N@@H+]1C[C@@H](NC(=O)C(N)=O)[C@@H](O)C1 ZINC001083743842 775968890 /nfs/dbraw/zinc/96/88/90/775968890.db2.gz KFYURVCYPIAMRR-ZJUUUORDSA-N 1 2 298.368 -1.093 20 0 CAADLO CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)Cc2ncn[nH]2)C[C@H]1C ZINC001106857969 775969032 /nfs/dbraw/zinc/96/90/32/775969032.db2.gz RBPKYURMCQJGCG-NXEZZACHSA-N 1 2 294.359 -1.223 20 0 CAADLO C[C@@H]1CN(C(=O)Cc2ncn[nH]2)C[C@H]1C[NH2+]CC(N)=O ZINC001106858416 775969711 /nfs/dbraw/zinc/96/97/11/775969711.db2.gz JNJVRUHSRGWMNE-RKDXNWHRSA-N 1 2 280.332 -1.483 20 0 CAADLO Cc1ccncc1C[N@H+]1C[C@@H](NC(=O)C(N)=O)[C@@H](O)C1 ZINC001083744019 775971088 /nfs/dbraw/zinc/97/10/88/775971088.db2.gz SALLIYHQESIBID-MNOVXSKESA-N 1 2 278.312 -1.463 20 0 CAADLO Cc1ccncc1C[N@@H+]1C[C@@H](NC(=O)C(N)=O)[C@@H](O)C1 ZINC001083744019 775971095 /nfs/dbraw/zinc/97/10/95/775971095.db2.gz SALLIYHQESIBID-MNOVXSKESA-N 1 2 278.312 -1.463 20 0 CAADLO CN1CCC[C@@H]([N@H+]2C[C@@H](NC(=O)C(N)=O)[C@@H](O)C2)C1=O ZINC001083744036 775971704 /nfs/dbraw/zinc/97/17/04/775971704.db2.gz TVIZPANHSCNXBF-HLTSFMKQSA-N 1 2 284.316 -2.746 20 0 CAADLO CN1CCC[C@@H]([N@@H+]2C[C@@H](NC(=O)C(N)=O)[C@@H](O)C2)C1=O ZINC001083744036 775971713 /nfs/dbraw/zinc/97/17/13/775971713.db2.gz TVIZPANHSCNXBF-HLTSFMKQSA-N 1 2 284.316 -2.746 20 0 CAADLO NC(=O)C(=O)N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@@H]1O ZINC001083744424 775972478 /nfs/dbraw/zinc/97/24/78/775972478.db2.gz MOQOANSTVJEWSO-SFYZADRCSA-N 1 2 285.304 -3.342 20 0 CAADLO NC(=O)C(=O)N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@@H]1O ZINC001083744424 775972484 /nfs/dbraw/zinc/97/24/84/775972484.db2.gz MOQOANSTVJEWSO-SFYZADRCSA-N 1 2 285.304 -3.342 20 0 CAADLO NC(=O)C(=O)N[C@@H]1C[N@H+](CCO[C@@H]2CC2(F)F)C[C@@H]1O ZINC001083744497 775972840 /nfs/dbraw/zinc/97/28/40/775972840.db2.gz PNBJBCYUSRZBBG-GJMOJQLCSA-N 1 2 293.270 -1.943 20 0 CAADLO NC(=O)C(=O)N[C@@H]1C[N@@H+](CCO[C@@H]2CC2(F)F)C[C@@H]1O ZINC001083744497 775972852 /nfs/dbraw/zinc/97/28/52/775972852.db2.gz PNBJBCYUSRZBBG-GJMOJQLCSA-N 1 2 293.270 -1.943 20 0 CAADLO CCc1onc(C)c1C[N@H+]1C[C@@H](NC(=O)C(N)=O)[C@@H](O)C1 ZINC001083744171 775973191 /nfs/dbraw/zinc/97/31/91/775973191.db2.gz ANEBGVVNJMQSFH-ZJUUUORDSA-N 1 2 296.327 -1.308 20 0 CAADLO CCc1onc(C)c1C[N@@H+]1C[C@@H](NC(=O)C(N)=O)[C@@H](O)C1 ZINC001083744171 775973196 /nfs/dbraw/zinc/97/31/96/775973196.db2.gz ANEBGVVNJMQSFH-ZJUUUORDSA-N 1 2 296.327 -1.308 20 0 CAADLO NC(=O)C(=O)N[C@@H]1C[N@H+](CCn2cncn2)C[C@@H]1O ZINC001083744545 775973897 /nfs/dbraw/zinc/97/38/97/775973897.db2.gz REBWWQAEHGKUCH-SFYZADRCSA-N 1 2 268.277 -3.075 20 0 CAADLO NC(=O)C(=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O ZINC001083744545 775973905 /nfs/dbraw/zinc/97/39/05/775973905.db2.gz REBWWQAEHGKUCH-SFYZADRCSA-N 1 2 268.277 -3.075 20 0 CAADLO Cn1cc(C(=O)N[C@@H]2C[N@H+](CCF)C[C@@H]2O)[nH]c1=O ZINC001083752033 775974513 /nfs/dbraw/zinc/97/45/13/775974513.db2.gz ASOBFKKJDOSYKK-APPZFPTMSA-N 1 2 272.280 -1.130 20 0 CAADLO Cn1cc(C(=O)N[C@@H]2C[N@@H+](CCF)C[C@@H]2O)[nH]c1=O ZINC001083752033 775974517 /nfs/dbraw/zinc/97/45/17/775974517.db2.gz ASOBFKKJDOSYKK-APPZFPTMSA-N 1 2 272.280 -1.130 20 0 CAADLO CO[C@H](C)C[N@H+]1C[C@@H](NC(=O)C2=NC(=O)N(C)C2)[C@@H](O)C1 ZINC001083752285 775974631 /nfs/dbraw/zinc/97/46/31/775974631.db2.gz NBONZLOMZFMUHC-KKZNHRDASA-N 1 2 298.343 -1.065 20 0 CAADLO CO[C@H](C)C[N@@H+]1C[C@@H](NC(=O)C2=NC(=O)N(C)C2)[C@@H](O)C1 ZINC001083752285 775974642 /nfs/dbraw/zinc/97/46/42/775974642.db2.gz NBONZLOMZFMUHC-KKZNHRDASA-N 1 2 298.343 -1.065 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)c2cn(C)c(=O)[nH]2)[C@@H](O)C1 ZINC001083752487 775975142 /nfs/dbraw/zinc/97/51/42/775975142.db2.gz XOGRQAVXQMDXJE-OOZYFLPDSA-N 1 2 297.315 -2.226 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)c2cn(C)c(=O)[nH]2)[C@@H](O)C1 ZINC001083752487 775975152 /nfs/dbraw/zinc/97/51/52/775975152.db2.gz XOGRQAVXQMDXJE-OOZYFLPDSA-N 1 2 297.315 -2.226 20 0 CAADLO CN1C(=O)COCC12CN(CC[NH+]1CCOCC1)C2 ZINC001272662265 775975341 /nfs/dbraw/zinc/97/53/41/775975341.db2.gz XQHFRBQEBUTECY-UHFFFAOYSA-N 1 2 269.345 -1.138 20 0 CAADLO CN1C(=O)COCC12C[NH+](CCN1CCOCC1)C2 ZINC001272662265 775975348 /nfs/dbraw/zinc/97/53/48/775975348.db2.gz XQHFRBQEBUTECY-UHFFFAOYSA-N 1 2 269.345 -1.138 20 0 CAADLO NC(=O)C(=O)N[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@@H]1O ZINC001083745152 775976067 /nfs/dbraw/zinc/97/60/67/775976067.db2.gz TXRDSJKWXYBSCN-SFYZADRCSA-N 1 2 298.299 -3.218 20 0 CAADLO NC(=O)C(=O)N[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)C[C@@H]1O ZINC001083745152 775976070 /nfs/dbraw/zinc/97/60/70/775976070.db2.gz TXRDSJKWXYBSCN-SFYZADRCSA-N 1 2 298.299 -3.218 20 0 CAADLO COC[C@H](C)[N@H+]1C[C@@H](NC(=O)C2=NC(=O)N(C)C2)[C@@H](O)C1 ZINC001083752555 775976239 /nfs/dbraw/zinc/97/62/39/775976239.db2.gz AIGRMYNCSPSCIH-NGZCFLSTSA-N 1 2 298.343 -1.065 20 0 CAADLO COC[C@H](C)[N@@H+]1C[C@@H](NC(=O)C2=NC(=O)N(C)C2)[C@@H](O)C1 ZINC001083752555 775976241 /nfs/dbraw/zinc/97/62/41/775976241.db2.gz AIGRMYNCSPSCIH-NGZCFLSTSA-N 1 2 298.343 -1.065 20 0 CAADLO CNC(=O)C[N@H+]1C[C@@H](NC(=O)CC2=CCOCC2)[C@@H](O)C1 ZINC001083753976 775977242 /nfs/dbraw/zinc/97/72/42/775977242.db2.gz TVRZJMPJLJDEBL-NEPJUHHUSA-N 1 2 297.355 -1.370 20 0 CAADLO CNC(=O)C[N@@H+]1C[C@@H](NC(=O)CC2=CCOCC2)[C@@H](O)C1 ZINC001083753976 775977250 /nfs/dbraw/zinc/97/72/50/775977250.db2.gz TVRZJMPJLJDEBL-NEPJUHHUSA-N 1 2 297.355 -1.370 20 0 CAADLO O=C(CCn1cncn1)NCC[NH2+]Cc1cnon1 ZINC001123671571 775977401 /nfs/dbraw/zinc/97/74/01/775977401.db2.gz VTJBXJNBYQHQKF-UHFFFAOYSA-N 1 2 265.277 -1.043 20 0 CAADLO O=C(Cn1ncnn1)NCC[NH2+]Cc1cnsn1 ZINC001127433085 775979400 /nfs/dbraw/zinc/97/94/00/775979400.db2.gz DHDNSIUEKDAYGJ-UHFFFAOYSA-N 1 2 268.306 -1.569 20 0 CAADLO O=C(Cn1ncnn1)NCC[NH2+]Cc1nnc(C2CC2)o1 ZINC001127432993 775979750 /nfs/dbraw/zinc/97/97/50/775979750.db2.gz AYSKVRKAYOWJNC-UHFFFAOYSA-N 1 2 292.303 -1.161 20 0 CAADLO Cn1cc(Cl)c(C[NH2+]CCNC(=O)Cn2ncnn2)n1 ZINC001127437782 775980643 /nfs/dbraw/zinc/98/06/43/775980643.db2.gz IBYCLHJILVLYIX-UHFFFAOYSA-N 1 2 298.738 -1.034 20 0 CAADLO Cc1noc(C[NH2+]CCNC(=O)Cn2ncnn2)n1 ZINC001127433869 775981450 /nfs/dbraw/zinc/98/14/50/775981450.db2.gz YBCBBJWADQVOSN-UHFFFAOYSA-N 1 2 266.265 -1.729 20 0 CAADLO O=C(Cn1ncnn1)NCC[NH2+]Cc1nncs1 ZINC001127442596 775982463 /nfs/dbraw/zinc/98/24/63/775982463.db2.gz HVWSWUNBACCIET-UHFFFAOYSA-N 1 2 268.306 -1.569 20 0 CAADLO COCc1noc(C[NH2+]CCNC(=O)CN(C)C(C)=O)n1 ZINC001123811082 775983219 /nfs/dbraw/zinc/98/32/19/775983219.db2.gz WCAXXDWIRYKYCD-UHFFFAOYSA-N 1 2 299.331 -1.100 20 0 CAADLO Cc1nnc([C@@H](C)[NH2+]CCNC(=O)Cn2ncnn2)o1 ZINC001127443208 775984128 /nfs/dbraw/zinc/98/41/28/775984128.db2.gz QLLFORLSUHRMSI-SSDOTTSWSA-N 1 2 280.292 -1.168 20 0 CAADLO Cc1noc([C@@H](C)[NH2+]CCNC(=O)Cn2ncnn2)n1 ZINC001127449724 775984431 /nfs/dbraw/zinc/98/44/31/775984431.db2.gz QKUCXDLFAAKSRF-SSDOTTSWSA-N 1 2 280.292 -1.168 20 0 CAADLO CO[C@@H]1C[N@@H+]([C@H](C)C(N)=O)C[C@H]1NC(=O)CC1(O)CCC1 ZINC001212246081 775988269 /nfs/dbraw/zinc/98/82/69/775988269.db2.gz KHVBROWDFSOLST-GMTAPVOTSA-N 1 2 299.371 -1.019 20 0 CAADLO CO[C@@H]1C[N@H+]([C@H](C)C(N)=O)C[C@H]1NC(=O)CC1(O)CCC1 ZINC001212246081 775988274 /nfs/dbraw/zinc/98/82/74/775988274.db2.gz KHVBROWDFSOLST-GMTAPVOTSA-N 1 2 299.371 -1.019 20 0 CAADLO Cn1cc[nH+]c1CCNC(=O)CN1C(=O)C(=O)N(C)C1=O ZINC001123922061 775988505 /nfs/dbraw/zinc/98/85/05/775988505.db2.gz UEOWQYAQAMTZMJ-UHFFFAOYSA-N 1 2 293.283 -1.501 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cnoc2)C1 ZINC001077556616 775989846 /nfs/dbraw/zinc/98/98/46/775989846.db2.gz MRBRFYVRKCNSKC-FBIMIBRVSA-N 1 2 296.327 -1.487 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cnoc2)C1 ZINC001077556616 775989850 /nfs/dbraw/zinc/98/98/50/775989850.db2.gz MRBRFYVRKCNSKC-FBIMIBRVSA-N 1 2 296.327 -1.487 20 0 CAADLO CN(C)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cnoc2)C1 ZINC001077555600 775990121 /nfs/dbraw/zinc/99/01/21/775990121.db2.gz WKZPTDILLBLILP-GHMZBOCLSA-N 1 2 296.327 -1.533 20 0 CAADLO CN(C)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cnoc2)C1 ZINC001077555600 775990130 /nfs/dbraw/zinc/99/01/30/775990130.db2.gz WKZPTDILLBLILP-GHMZBOCLSA-N 1 2 296.327 -1.533 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cnoc2)C1 ZINC001077557036 775991053 /nfs/dbraw/zinc/99/10/53/775991053.db2.gz SUTWNUJIGZPAHB-FXBDTBDDSA-N 1 2 282.300 -1.748 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cnoc2)C1 ZINC001077557036 775991061 /nfs/dbraw/zinc/99/10/61/775991061.db2.gz SUTWNUJIGZPAHB-FXBDTBDDSA-N 1 2 282.300 -1.748 20 0 CAADLO CN(C)C(=O)C[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001038588151 775991905 /nfs/dbraw/zinc/99/19/05/775991905.db2.gz SZUMODZNQAEYDZ-UWVGGRQHSA-N 1 2 297.359 -1.711 20 0 CAADLO CN(C)C(=O)C[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001038588151 775991911 /nfs/dbraw/zinc/99/19/11/775991911.db2.gz SZUMODZNQAEYDZ-UWVGGRQHSA-N 1 2 297.359 -1.711 20 0 CAADLO CN(C)C(=O)C[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001038588155 775992439 /nfs/dbraw/zinc/99/24/39/775992439.db2.gz SZUMODZNQAEYDZ-VHSXEESVSA-N 1 2 297.359 -1.711 20 0 CAADLO CN(C)C(=O)C[N@H+]1CC[C@H]1CNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001038588155 775992444 /nfs/dbraw/zinc/99/24/44/775992444.db2.gz SZUMODZNQAEYDZ-VHSXEESVSA-N 1 2 297.359 -1.711 20 0 CAADLO Cn1[nH]c(C[NH2+]CCNC(=O)c2cnns2)nc1=O ZINC001124159246 775995330 /nfs/dbraw/zinc/99/53/30/775995330.db2.gz CXAROSYPZDLSIC-UHFFFAOYSA-N 1 2 283.317 -1.521 20 0 CAADLO CNC(=O)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[C@H]2CCCO2)C1 ZINC001047309622 775996888 /nfs/dbraw/zinc/99/68/88/775996888.db2.gz JIQOOBOXPAVVSC-WOPDTQHZSA-N 1 2 299.371 -1.195 20 0 CAADLO CNC(=O)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[C@H]2CCCO2)C1 ZINC001047309622 775996910 /nfs/dbraw/zinc/99/69/10/775996910.db2.gz JIQOOBOXPAVVSC-WOPDTQHZSA-N 1 2 299.371 -1.195 20 0 CAADLO CCn1ncnc1C[NH2+]CCNC(=O)CS(C)(=O)=O ZINC001124361726 776000711 /nfs/dbraw/zinc/00/07/11/776000711.db2.gz BADDCDLIHBMCDM-UHFFFAOYSA-N 1 2 289.361 -1.452 20 0 CAADLO COC(=O)[C@H]1C[C@H]1C(=O)NCC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001124664528 776008663 /nfs/dbraw/zinc/00/86/63/776008663.db2.gz XCYTXDUPQLWRSJ-SFYZADRCSA-N 1 2 297.315 -1.877 20 0 CAADLO COC(=O)[C@@H]1C[C@H]1C(=O)NCC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001124664523 776008888 /nfs/dbraw/zinc/00/88/88/776008888.db2.gz XCYTXDUPQLWRSJ-HTQZYQBOSA-N 1 2 297.315 -1.877 20 0 CAADLO Cn1[nH]c(C[NH2+]CCNC(=O)[C@@H]2CCCOC2)nc1=O ZINC001124685634 776009985 /nfs/dbraw/zinc/00/99/85/776009985.db2.gz BOCAJVJHHYYMBG-SECBINFHSA-N 1 2 283.332 -1.259 20 0 CAADLO CC(=O)N1CC[NH+](C[C@@H](O)CN2C(=O)CCC2=O)CC1 ZINC001099547445 776011341 /nfs/dbraw/zinc/01/13/41/776011341.db2.gz VFKHHRZOUYKBMC-LLVKDONJSA-N 1 2 283.328 -1.340 20 0 CAADLO C[C@H]1CCC[N@@H+]1CC(=O)N[C@@H]1C[NH+](CCO)C[C@@H]1O ZINC001083779507 776013757 /nfs/dbraw/zinc/01/37/57/776013757.db2.gz GAVBPTKEMMQPLL-TUAOUCFPSA-N 1 2 271.361 -1.376 20 0 CAADLO C[C@H]1CCC[N@H+]1CC(=O)N[C@@H]1C[NH+](CCO)C[C@@H]1O ZINC001083779507 776013763 /nfs/dbraw/zinc/01/37/63/776013763.db2.gz GAVBPTKEMMQPLL-TUAOUCFPSA-N 1 2 271.361 -1.376 20 0 CAADLO CCC(=O)NCC(=O)NCC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001124873589 776015705 /nfs/dbraw/zinc/01/57/05/776015705.db2.gz ZIZQUJOBXWLFJH-UHFFFAOYSA-N 1 2 284.320 -2.160 20 0 CAADLO CC[C@@H](C(N)=O)[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C(N)=O)C1 ZINC001047510850 776018671 /nfs/dbraw/zinc/01/86/71/776018671.db2.gz GALURRLWOGNPRQ-FXQIFTODSA-N 1 2 272.305 -2.761 20 0 CAADLO CC[C@@H](C(N)=O)[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C(N)=O)C1 ZINC001047510850 776018682 /nfs/dbraw/zinc/01/86/82/776018682.db2.gz GALURRLWOGNPRQ-FXQIFTODSA-N 1 2 272.305 -2.761 20 0 CAADLO CNC(=O)NC(=O)C[NH2+]CCNC(=O)c1[nH]nc(C)c1C ZINC001125039831 776020667 /nfs/dbraw/zinc/02/06/67/776020667.db2.gz VYVCCKODPWDDIT-UHFFFAOYSA-N 1 2 296.331 -1.198 20 0 CAADLO COCc1noc([C@H](C)[NH2+]CCNC(=O)CC(N)=O)n1 ZINC001125084876 776023864 /nfs/dbraw/zinc/02/38/64/776023864.db2.gz MCZJYBFKGPMEJZ-ZETCQYMHSA-N 1 2 285.304 -1.142 20 0 CAADLO COC(=O)[C@@H](Cc1c[nH+]cn1C)NC(=O)CNC(C)=O ZINC001142807666 776034108 /nfs/dbraw/zinc/03/41/08/776034108.db2.gz HPZAIYNYOKJNBW-SNVBAGLBSA-N 1 2 282.300 -1.244 20 0 CAADLO CNC(=O)CC(=O)NCc1cn(C2C[NH+](CCO)C2)nn1 ZINC001107161130 776035919 /nfs/dbraw/zinc/03/59/19/776035919.db2.gz ZDCBYCHQZYOTSX-UHFFFAOYSA-N 1 2 296.331 -2.121 20 0 CAADLO NC(=O)CC(=O)NCc1cn(C2C[NH+](CCO)C2)nn1 ZINC001107150783 776036555 /nfs/dbraw/zinc/03/65/55/776036555.db2.gz ZHPNYAREYZOAHP-UHFFFAOYSA-N 1 2 282.304 -2.381 20 0 CAADLO COCC[NH+]1CC(n2cc(CNC(=O)C(N)=O)nn2)C1 ZINC001107202000 776036671 /nfs/dbraw/zinc/03/66/71/776036671.db2.gz MIABHAVEPUAFLZ-UHFFFAOYSA-N 1 2 282.304 -2.117 20 0 CAADLO NC(=O)C(=O)NCc1cn(C2C[NH+](CCO)C2)nn1 ZINC001107202256 776038981 /nfs/dbraw/zinc/03/89/81/776038981.db2.gz YPCFPKSYMCAIQC-UHFFFAOYSA-N 1 2 268.277 -2.771 20 0 CAADLO Cc1ncsc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(N)=O)C1 ZINC001077603843 776045101 /nfs/dbraw/zinc/04/51/01/776045101.db2.gz MSOWAXRGNDNNLI-HTQZYQBOSA-N 1 2 284.341 -1.402 20 0 CAADLO Cc1ncsc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)C(N)=O)C1 ZINC001077603843 776045111 /nfs/dbraw/zinc/04/51/11/776045111.db2.gz MSOWAXRGNDNNLI-HTQZYQBOSA-N 1 2 284.341 -1.402 20 0 CAADLO Cc1nc(C)n(CC[N@@H+]2C[C@@H](O)[C@H](NC(=O)C(N)=O)C2)n1 ZINC001077606142 776046383 /nfs/dbraw/zinc/04/63/83/776046383.db2.gz VUXHBYXCPJBODH-NXEZZACHSA-N 1 2 296.331 -2.458 20 0 CAADLO Cc1nc(C)n(CC[N@H+]2C[C@@H](O)[C@H](NC(=O)C(N)=O)C2)n1 ZINC001077606142 776046387 /nfs/dbraw/zinc/04/63/87/776046387.db2.gz VUXHBYXCPJBODH-NXEZZACHSA-N 1 2 296.331 -2.458 20 0 CAADLO CN1CCC[C@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)C(N)=O)C2)C1=O ZINC001077606093 776046640 /nfs/dbraw/zinc/04/66/40/776046640.db2.gz TVIZPANHSCNXBF-HRDYMLBCSA-N 1 2 284.316 -2.746 20 0 CAADLO CN1CCC[C@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)C(N)=O)C2)C1=O ZINC001077606093 776046643 /nfs/dbraw/zinc/04/66/43/776046643.db2.gz TVIZPANHSCNXBF-HRDYMLBCSA-N 1 2 284.316 -2.746 20 0 CAADLO NC(=O)C(=O)N[C@@H]1C[N@H+](Cc2cccc(F)c2)C[C@H]1O ZINC001077604917 776046776 /nfs/dbraw/zinc/04/67/76/776046776.db2.gz NPJJYKFAFRBNCB-GHMZBOCLSA-N 1 2 281.287 -1.028 20 0 CAADLO NC(=O)C(=O)N[C@@H]1C[N@@H+](Cc2cccc(F)c2)C[C@H]1O ZINC001077604917 776046780 /nfs/dbraw/zinc/04/67/80/776046780.db2.gz NPJJYKFAFRBNCB-GHMZBOCLSA-N 1 2 281.287 -1.028 20 0 CAADLO COC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2=NC(=O)N(C)C2)C1 ZINC001077619141 776048416 /nfs/dbraw/zinc/04/84/16/776048416.db2.gz AIGRMYNCSPSCIH-IQJOONFLSA-N 1 2 298.343 -1.065 20 0 CAADLO COC[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)C2=NC(=O)N(C)C2)C1 ZINC001077619141 776048421 /nfs/dbraw/zinc/04/84/21/776048421.db2.gz AIGRMYNCSPSCIH-IQJOONFLSA-N 1 2 298.343 -1.065 20 0 CAADLO CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2=NC(=O)N(C)C2)C1 ZINC001077625286 776050054 /nfs/dbraw/zinc/05/00/54/776050054.db2.gz ZYPBAKGTGLZCMJ-VXNVDRBHSA-N 1 2 254.290 -1.080 20 0 CAADLO CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C2=NC(=O)N(C)C2)C1 ZINC001077625286 776050064 /nfs/dbraw/zinc/05/00/64/776050064.db2.gz ZYPBAKGTGLZCMJ-VXNVDRBHSA-N 1 2 254.290 -1.080 20 0 CAADLO C[C@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2=NC(=O)N(C)C2)C1 ZINC001077625213 776050142 /nfs/dbraw/zinc/05/01/42/776050142.db2.gz VUOIFKDWXLEUFC-QXFUBDJGSA-N 1 2 284.316 -1.719 20 0 CAADLO C[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C2=NC(=O)N(C)C2)C1 ZINC001077625213 776050149 /nfs/dbraw/zinc/05/01/49/776050149.db2.gz VUOIFKDWXLEUFC-QXFUBDJGSA-N 1 2 284.316 -1.719 20 0 CAADLO C[C@@H](C(=O)N(C)CC[N@H+](C)CCO)S(C)(=O)=O ZINC000691318180 776050508 /nfs/dbraw/zinc/05/05/08/776050508.db2.gz BPWYRTUUUTUQLO-VIFPVBQESA-N 1 2 266.363 -1.198 20 0 CAADLO C[C@@H](C(=O)N(C)CC[N@@H+](C)CCO)S(C)(=O)=O ZINC000691318180 776050512 /nfs/dbraw/zinc/05/05/12/776050512.db2.gz BPWYRTUUUTUQLO-VIFPVBQESA-N 1 2 266.363 -1.198 20 0 CAADLO CNC(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC2=CCOCC2)C1 ZINC001077622626 776050950 /nfs/dbraw/zinc/05/09/50/776050950.db2.gz TVRZJMPJLJDEBL-VXGBXAGGSA-N 1 2 297.355 -1.370 20 0 CAADLO CNC(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CC2=CCOCC2)C1 ZINC001077622626 776050958 /nfs/dbraw/zinc/05/09/58/776050958.db2.gz TVRZJMPJLJDEBL-VXGBXAGGSA-N 1 2 297.355 -1.370 20 0 CAADLO C[C@H](C(=O)N(C)CC[N@H+](C)CCO)S(C)(=O)=O ZINC000691318177 776051188 /nfs/dbraw/zinc/05/11/88/776051188.db2.gz BPWYRTUUUTUQLO-SECBINFHSA-N 1 2 266.363 -1.198 20 0 CAADLO C[C@H](C(=O)N(C)CC[N@@H+](C)CCO)S(C)(=O)=O ZINC000691318177 776051197 /nfs/dbraw/zinc/05/11/97/776051197.db2.gz BPWYRTUUUTUQLO-SECBINFHSA-N 1 2 266.363 -1.198 20 0 CAADLO COCC(=O)NC[C@@]1(C)C[N@H+](CCOCCO)CCO1 ZINC001107659674 776051915 /nfs/dbraw/zinc/05/19/15/776051915.db2.gz PAJVZPMLWKTULK-ZDUSSCGKSA-N 1 2 290.360 -1.151 20 0 CAADLO COCC(=O)NC[C@@]1(C)C[N@@H+](CCOCCO)CCO1 ZINC001107659674 776051922 /nfs/dbraw/zinc/05/19/22/776051922.db2.gz PAJVZPMLWKTULK-ZDUSSCGKSA-N 1 2 290.360 -1.151 20 0 CAADLO CC(=O)NC[C@@]1(C)C[N@H+](CCN2C(=O)CNC2=O)CCO1 ZINC001107669691 776052397 /nfs/dbraw/zinc/05/23/97/776052397.db2.gz LSMQLRDDJZKALW-ZDUSSCGKSA-N 1 2 298.343 -1.235 20 0 CAADLO CC(=O)NC[C@@]1(C)C[N@@H+](CCN2C(=O)CNC2=O)CCO1 ZINC001107669691 776052403 /nfs/dbraw/zinc/05/24/03/776052403.db2.gz LSMQLRDDJZKALW-ZDUSSCGKSA-N 1 2 298.343 -1.235 20 0 CAADLO COCC(=O)NC[C@]1(C)C[N@H+](CCOCCO)CCO1 ZINC001107659673 776052847 /nfs/dbraw/zinc/05/28/47/776052847.db2.gz PAJVZPMLWKTULK-CYBMUJFWSA-N 1 2 290.360 -1.151 20 0 CAADLO COCC(=O)NC[C@]1(C)C[N@@H+](CCOCCO)CCO1 ZINC001107659673 776052852 /nfs/dbraw/zinc/05/28/52/776052852.db2.gz PAJVZPMLWKTULK-CYBMUJFWSA-N 1 2 290.360 -1.151 20 0 CAADLO O=C(NC[C@H]1CC[N@@H+]1[C@@H]1CCNC1=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001038608245 776065052 /nfs/dbraw/zinc/06/50/52/776065052.db2.gz PXLIWKHPBBZUPC-ZIQFBCGOSA-N 1 2 279.340 -1.042 20 0 CAADLO O=C(NC[C@H]1CC[N@H+]1[C@@H]1CCNC1=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001038608245 776065057 /nfs/dbraw/zinc/06/50/57/776065057.db2.gz PXLIWKHPBBZUPC-ZIQFBCGOSA-N 1 2 279.340 -1.042 20 0 CAADLO O=C(Cc1c[nH]c[nH+]1)N[C@@H]1CN(Cc2cnon2)C[C@H]1O ZINC001077744880 776065737 /nfs/dbraw/zinc/06/57/37/776065737.db2.gz IHMFOPMZHIZKQG-GHMZBOCLSA-N 1 2 292.299 -1.303 20 0 CAADLO Cc1ccnn1CC(=O)N[C@@H]1C[N@H+]([C@H](C)C(N)=O)C[C@H]1O ZINC001077759166 776065808 /nfs/dbraw/zinc/06/58/08/776065808.db2.gz LIBVNRPBXXXQKC-GMTAPVOTSA-N 1 2 295.343 -1.773 20 0 CAADLO Cc1ccnn1CC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(N)=O)C[C@H]1O ZINC001077759166 776065815 /nfs/dbraw/zinc/06/58/15/776065815.db2.gz LIBVNRPBXXXQKC-GMTAPVOTSA-N 1 2 295.343 -1.773 20 0 CAADLO C[C@@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cnc[nH]2)C1 ZINC001077743913 776066137 /nfs/dbraw/zinc/06/61/37/776066137.db2.gz VEISSGOSRBUCQX-FBIMIBRVSA-N 1 2 268.317 -1.506 20 0 CAADLO C[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cnc[nH]2)C1 ZINC001077743913 776066143 /nfs/dbraw/zinc/06/61/43/776066143.db2.gz VEISSGOSRBUCQX-FBIMIBRVSA-N 1 2 268.317 -1.506 20 0 CAADLO C[C@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cnc[nH]2)C1 ZINC001077743914 776066599 /nfs/dbraw/zinc/06/65/99/776066599.db2.gz VEISSGOSRBUCQX-JMJZKYOTSA-N 1 2 268.317 -1.506 20 0 CAADLO C[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cnc[nH]2)C1 ZINC001077743914 776066604 /nfs/dbraw/zinc/06/66/04/776066604.db2.gz VEISSGOSRBUCQX-JMJZKYOTSA-N 1 2 268.317 -1.506 20 0 CAADLO Cn1[nH]c(C[NH2+]CCNC(=O)c2cc[nH]c2)nc1=O ZINC001127901956 776067151 /nfs/dbraw/zinc/06/71/51/776067151.db2.gz GSMZDOYXQGURPW-UHFFFAOYSA-N 1 2 264.289 -1.044 20 0 CAADLO Cc1ccn(CC(=O)N[C@@H]2C[N@H+]([C@H](C)C(N)=O)C[C@@H]2O)n1 ZINC001083787887 776069553 /nfs/dbraw/zinc/06/95/53/776069553.db2.gz XPGCZOUTVREUNH-MXWKQRLJSA-N 1 2 295.343 -1.773 20 0 CAADLO Cc1ccn(CC(=O)N[C@@H]2C[N@@H+]([C@H](C)C(N)=O)C[C@@H]2O)n1 ZINC001083787887 776069562 /nfs/dbraw/zinc/06/95/62/776069562.db2.gz XPGCZOUTVREUNH-MXWKQRLJSA-N 1 2 295.343 -1.773 20 0 CAADLO C[C@@H](CCNC(=O)CCc1[nH+]ccn1C)NC(=O)C(N)=O ZINC001077792300 776069649 /nfs/dbraw/zinc/06/96/49/776069649.db2.gz UWKCKIAYINIEHQ-VIFPVBQESA-N 1 2 295.343 -1.151 20 0 CAADLO Cn1cc(C(=O)NC[C@@]2(C)C[N@H+](CCO)CCO2)nn1 ZINC001107918454 776070638 /nfs/dbraw/zinc/07/06/38/776070638.db2.gz OAOGEXVWBSTZKR-LBPRGKRZSA-N 1 2 283.332 -1.372 20 0 CAADLO Cn1cc(C(=O)NC[C@@]2(C)C[N@@H+](CCO)CCO2)nn1 ZINC001107918454 776070643 /nfs/dbraw/zinc/07/06/43/776070643.db2.gz OAOGEXVWBSTZKR-LBPRGKRZSA-N 1 2 283.332 -1.372 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cscn2)C1 ZINC001077785706 776070723 /nfs/dbraw/zinc/07/07/23/776070723.db2.gz MCLJYOOZZDWTRS-SZEHBUNVSA-N 1 2 298.368 -1.279 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cscn2)C1 ZINC001077785706 776070726 /nfs/dbraw/zinc/07/07/26/776070726.db2.gz MCLJYOOZZDWTRS-SZEHBUNVSA-N 1 2 298.368 -1.279 20 0 CAADLO CCOC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C(N)=O ZINC001142940810 776071406 /nfs/dbraw/zinc/07/14/06/776071406.db2.gz DBEQJRUDXKLZKO-ZETCQYMHSA-N 1 2 254.246 -1.515 20 0 CAADLO CCOC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C(N)=O ZINC001142940810 776071414 /nfs/dbraw/zinc/07/14/14/776071414.db2.gz DBEQJRUDXKLZKO-ZETCQYMHSA-N 1 2 254.246 -1.515 20 0 CAADLO Cc1nnc(CC(=O)NC[C@@]2(C)C[N@H+](CCO)CCO2)[nH]1 ZINC001107934899 776072136 /nfs/dbraw/zinc/07/21/36/776072136.db2.gz OLUQJUUOTQBQRC-ZDUSSCGKSA-N 1 2 297.359 -1.145 20 0 CAADLO Cc1nnc(CC(=O)NC[C@@]2(C)C[N@@H+](CCO)CCO2)[nH]1 ZINC001107934899 776072141 /nfs/dbraw/zinc/07/21/41/776072141.db2.gz OLUQJUUOTQBQRC-ZDUSSCGKSA-N 1 2 297.359 -1.145 20 0 CAADLO COCC(=O)N[C@H](C)C(=O)NCC[NH2+]Cc1nonc1C ZINC001127966640 776074127 /nfs/dbraw/zinc/07/41/27/776074127.db2.gz CVONIOYAFYWIKF-SECBINFHSA-N 1 2 299.331 -1.265 20 0 CAADLO COCC(=O)N[C@H](C)C(=O)NCC[NH2+]Cc1nnc(C)o1 ZINC001127966877 776075163 /nfs/dbraw/zinc/07/51/63/776075163.db2.gz GSYHBLHELYRIBJ-MRVPVSSYSA-N 1 2 299.331 -1.265 20 0 CAADLO COCCC(=O)N[C@H]1CC[N@H+](CC(N)=O)C[C@H]1O ZINC001099621318 776103378 /nfs/dbraw/zinc/10/33/78/776103378.db2.gz UTZNRNLMBJSOKW-DTWKUNHWSA-N 1 2 259.306 -1.940 20 0 CAADLO COCCC(=O)N[C@H]1CC[N@@H+](CC(N)=O)C[C@H]1O ZINC001099621318 776103386 /nfs/dbraw/zinc/10/33/86/776103386.db2.gz UTZNRNLMBJSOKW-DTWKUNHWSA-N 1 2 259.306 -1.940 20 0 CAADLO COCC(=O)N[C@H](C)C(=O)NCC[NH2+]Cc1cnon1 ZINC001127999598 776080786 /nfs/dbraw/zinc/08/07/86/776080786.db2.gz RLLJSRZSQYYVIK-MRVPVSSYSA-N 1 2 285.304 -1.574 20 0 CAADLO NC(=O)NC(=O)C[N@@H+]1CC[C@@H](NC(=O)C2CC2)[C@H](O)C1 ZINC001099607333 776083256 /nfs/dbraw/zinc/08/32/56/776083256.db2.gz LGZRZUBWIABWIX-RKDXNWHRSA-N 1 2 284.316 -1.857 20 0 CAADLO NC(=O)NC(=O)C[N@H+]1CC[C@@H](NC(=O)C2CC2)[C@H](O)C1 ZINC001099607333 776083262 /nfs/dbraw/zinc/08/32/62/776083262.db2.gz LGZRZUBWIABWIX-RKDXNWHRSA-N 1 2 284.316 -1.857 20 0 CAADLO COCCCNC(=O)C[N@@H+]1CC[C@@H](NC(C)=O)[C@@H](O)C1 ZINC001099611517 776084698 /nfs/dbraw/zinc/08/46/98/776084698.db2.gz SAESGOOJBSKNFQ-NEPJUHHUSA-N 1 2 287.360 -1.290 20 0 CAADLO COCCCNC(=O)C[N@H+]1CC[C@@H](NC(C)=O)[C@@H](O)C1 ZINC001099611517 776084701 /nfs/dbraw/zinc/08/47/01/776084701.db2.gz SAESGOOJBSKNFQ-NEPJUHHUSA-N 1 2 287.360 -1.290 20 0 CAADLO CC(=O)N[C@H]1CC[N@H+](CC(=O)NC(=O)NC2CC2)C[C@H]1O ZINC001099610044 776084945 /nfs/dbraw/zinc/08/49/45/776084945.db2.gz HNADJJSWCFCHBD-WDEREUQCSA-N 1 2 298.343 -1.454 20 0 CAADLO CC(=O)N[C@H]1CC[N@@H+](CC(=O)NC(=O)NC2CC2)C[C@H]1O ZINC001099610044 776084953 /nfs/dbraw/zinc/08/49/53/776084953.db2.gz HNADJJSWCFCHBD-WDEREUQCSA-N 1 2 298.343 -1.454 20 0 CAADLO CCNC(=O)NC(=O)C[N@@H+]1CC[C@H](NC(C)=O)[C@@H](O)C1 ZINC001099610716 776085133 /nfs/dbraw/zinc/08/51/33/776085133.db2.gz KXJYWMOEDKUCSI-UWVGGRQHSA-N 1 2 286.332 -1.597 20 0 CAADLO CCNC(=O)NC(=O)C[N@H+]1CC[C@H](NC(C)=O)[C@@H](O)C1 ZINC001099610716 776085141 /nfs/dbraw/zinc/08/51/41/776085141.db2.gz KXJYWMOEDKUCSI-UWVGGRQHSA-N 1 2 286.332 -1.597 20 0 CAADLO COCCCNC(=O)C[N@@H+]1CC[C@H](NC(C)=O)[C@H](O)C1 ZINC001099611518 776085212 /nfs/dbraw/zinc/08/52/12/776085212.db2.gz SAESGOOJBSKNFQ-NWDGAFQWSA-N 1 2 287.360 -1.290 20 0 CAADLO COCCCNC(=O)C[N@H+]1CC[C@H](NC(C)=O)[C@H](O)C1 ZINC001099611518 776085221 /nfs/dbraw/zinc/08/52/21/776085221.db2.gz SAESGOOJBSKNFQ-NWDGAFQWSA-N 1 2 287.360 -1.290 20 0 CAADLO NC(=O)NC(=O)C[N@@H+]1CC[C@H](NC(=O)C(F)F)[C@H](O)C1 ZINC001099608310 776085340 /nfs/dbraw/zinc/08/53/40/776085340.db2.gz ZOQNNQWNPWYACB-NTSWFWBYSA-N 1 2 294.258 -2.002 20 0 CAADLO NC(=O)NC(=O)C[N@H+]1CC[C@H](NC(=O)C(F)F)[C@H](O)C1 ZINC001099608310 776085344 /nfs/dbraw/zinc/08/53/44/776085344.db2.gz ZOQNNQWNPWYACB-NTSWFWBYSA-N 1 2 294.258 -2.002 20 0 CAADLO NC(=O)NC(=O)C[N@@H+]1CC[C@@H](NC(=O)CC2CC2)[C@H](O)C1 ZINC001099611569 776085483 /nfs/dbraw/zinc/08/54/83/776085483.db2.gz UBMRRXNEJHDMGG-NXEZZACHSA-N 1 2 298.343 -1.467 20 0 CAADLO NC(=O)NC(=O)C[N@H+]1CC[C@@H](NC(=O)CC2CC2)[C@H](O)C1 ZINC001099611569 776085490 /nfs/dbraw/zinc/08/54/90/776085490.db2.gz UBMRRXNEJHDMGG-NXEZZACHSA-N 1 2 298.343 -1.467 20 0 CAADLO NC(=O)C(=O)N[C@H]1CCc2nnc(C[NH2+]CCF)n2CC1 ZINC001128033257 776085650 /nfs/dbraw/zinc/08/56/50/776085650.db2.gz USCVHHXGRCWNAN-QMMMGPOBSA-N 1 2 298.322 -1.356 20 0 CAADLO CCNC(=O)NC(=O)C[N@@H+]1CC[C@@H](NC(C)=O)[C@@H](O)C1 ZINC001099610718 776085931 /nfs/dbraw/zinc/08/59/31/776085931.db2.gz KXJYWMOEDKUCSI-ZJUUUORDSA-N 1 2 286.332 -1.597 20 0 CAADLO CCNC(=O)NC(=O)C[N@H+]1CC[C@@H](NC(C)=O)[C@@H](O)C1 ZINC001099610718 776085936 /nfs/dbraw/zinc/08/59/36/776085936.db2.gz KXJYWMOEDKUCSI-ZJUUUORDSA-N 1 2 286.332 -1.597 20 0 CAADLO CCCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)COC)[C@@H](O)C1 ZINC001099613700 776087200 /nfs/dbraw/zinc/08/72/00/776087200.db2.gz MBMVUUJKOZNBOC-MNOVXSKESA-N 1 2 287.360 -1.290 20 0 CAADLO CCCNC(=O)C[N@H+]1CC[C@@H](NC(=O)COC)[C@@H](O)C1 ZINC001099613700 776087204 /nfs/dbraw/zinc/08/72/04/776087204.db2.gz MBMVUUJKOZNBOC-MNOVXSKESA-N 1 2 287.360 -1.290 20 0 CAADLO COCC(=O)N[C@H]1CC[N@H+](CC(=O)NCC2CC2)C[C@@H]1O ZINC001099616420 776091053 /nfs/dbraw/zinc/09/10/53/776091053.db2.gz DHMSPBSBRWNFSG-RYUDHWBXSA-N 1 2 299.371 -1.290 20 0 CAADLO COCC(=O)N[C@H]1CC[N@@H+](CC(=O)NCC2CC2)C[C@@H]1O ZINC001099616420 776091063 /nfs/dbraw/zinc/09/10/63/776091063.db2.gz DHMSPBSBRWNFSG-RYUDHWBXSA-N 1 2 299.371 -1.290 20 0 CAADLO COCC(=O)N[C@@H]1CC[N@H+](CC(=O)NCC2CC2)C[C@@H]1O ZINC001099616418 776091774 /nfs/dbraw/zinc/09/17/74/776091774.db2.gz DHMSPBSBRWNFSG-NEPJUHHUSA-N 1 2 299.371 -1.290 20 0 CAADLO COCC(=O)N[C@@H]1CC[N@@H+](CC(=O)NCC2CC2)C[C@@H]1O ZINC001099616418 776091779 /nfs/dbraw/zinc/09/17/79/776091779.db2.gz DHMSPBSBRWNFSG-NEPJUHHUSA-N 1 2 299.371 -1.290 20 0 CAADLO CO[C@@H](C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ncn[nH]2)C1 ZINC001077861430 776093795 /nfs/dbraw/zinc/09/37/95/776093795.db2.gz GTTHGJXSVIHMRU-DJLDLDEBSA-N 1 2 269.305 -1.386 20 0 CAADLO CO[C@@H](C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2nc[nH]n2)C1 ZINC001077861430 776093810 /nfs/dbraw/zinc/09/38/10/776093810.db2.gz GTTHGJXSVIHMRU-DJLDLDEBSA-N 1 2 269.305 -1.386 20 0 CAADLO CO[C@@H](C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2nc[nH]n2)C1 ZINC001077861430 776093821 /nfs/dbraw/zinc/09/38/21/776093821.db2.gz GTTHGJXSVIHMRU-DJLDLDEBSA-N 1 2 269.305 -1.386 20 0 CAADLO O=C(N[C@@H]1C[N@@H+](CCn2cccn2)C[C@H]1O)c1nnc[nH]1 ZINC001077861685 776094063 /nfs/dbraw/zinc/09/40/63/776094063.db2.gz RUECNDLQMOSJCF-NXEZZACHSA-N 1 2 291.315 -1.524 20 0 CAADLO O=C(N[C@@H]1C[N@H+](CCn2cccn2)C[C@H]1O)c1ncn[nH]1 ZINC001077861685 776094079 /nfs/dbraw/zinc/09/40/79/776094079.db2.gz RUECNDLQMOSJCF-NXEZZACHSA-N 1 2 291.315 -1.524 20 0 CAADLO CC[C@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cccnn2)C1 ZINC001077881374 776095579 /nfs/dbraw/zinc/09/55/79/776095579.db2.gz SVWWCLJTHPWATH-GMTAPVOTSA-N 1 2 293.327 -1.485 20 0 CAADLO CC[C@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cccnn2)C1 ZINC001077881374 776095586 /nfs/dbraw/zinc/09/55/86/776095586.db2.gz SVWWCLJTHPWATH-GMTAPVOTSA-N 1 2 293.327 -1.485 20 0 CAADLO O=C(N[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1O)c1cnon1 ZINC001077869078 776095634 /nfs/dbraw/zinc/09/56/34/776095634.db2.gz NJXSRNSZGQBQGF-NXEZZACHSA-N 1 2 293.287 -1.864 20 0 CAADLO O=C(N[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1O)c1cnon1 ZINC001077869078 776095640 /nfs/dbraw/zinc/09/56/40/776095640.db2.gz NJXSRNSZGQBQGF-NXEZZACHSA-N 1 2 293.287 -1.864 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2ccco2)C1 ZINC001077873796 776097662 /nfs/dbraw/zinc/09/76/62/776097662.db2.gz BMEPVRIJBVCMNM-JMJZKYOTSA-N 1 2 281.312 -1.143 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2ccco2)C1 ZINC001077873796 776097665 /nfs/dbraw/zinc/09/76/65/776097665.db2.gz BMEPVRIJBVCMNM-JMJZKYOTSA-N 1 2 281.312 -1.143 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2ncc[nH]2)C1 ZINC001077897282 776099085 /nfs/dbraw/zinc/09/90/85/776099085.db2.gz RUYAOHPZTWKOEG-IVZWLZJFSA-N 1 2 295.343 -1.752 20 0 CAADLO CNC(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2ncc[nH]2)C1 ZINC001077897282 776099091 /nfs/dbraw/zinc/09/90/91/776099091.db2.gz RUYAOHPZTWKOEG-IVZWLZJFSA-N 1 2 295.343 -1.752 20 0 CAADLO CN(C)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@]2(C)CCOC2)C1 ZINC001077898644 776099108 /nfs/dbraw/zinc/09/91/08/776099108.db2.gz XTVMRQOYMOGMRC-GYSYKLTISA-N 1 2 299.371 -1.338 20 0 CAADLO CN(C)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@]2(C)CCOC2)C1 ZINC001077898644 776099110 /nfs/dbraw/zinc/09/91/10/776099110.db2.gz XTVMRQOYMOGMRC-GYSYKLTISA-N 1 2 299.371 -1.338 20 0 CAADLO CC[C@@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2ncc[nH]2)C1 ZINC001077896956 776099153 /nfs/dbraw/zinc/09/91/53/776099153.db2.gz BBMVXYZSFXNZOI-KXUCPTDWSA-N 1 2 295.343 -1.623 20 0 CAADLO CC[C@@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2ncc[nH]2)C1 ZINC001077896956 776099157 /nfs/dbraw/zinc/09/91/57/776099157.db2.gz BBMVXYZSFXNZOI-KXUCPTDWSA-N 1 2 295.343 -1.623 20 0 CAADLO CN(C)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2ncc[nH]2)C1 ZINC001077897079 776100490 /nfs/dbraw/zinc/10/04/90/776100490.db2.gz GYCCXHKNHNIVPR-NXEZZACHSA-N 1 2 295.343 -1.798 20 0 CAADLO CN(C)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2ncc[nH]2)C1 ZINC001077897079 776100499 /nfs/dbraw/zinc/10/04/99/776100499.db2.gz GYCCXHKNHNIVPR-NXEZZACHSA-N 1 2 295.343 -1.798 20 0 CAADLO Cn1ncc(C[NH2+]CCNC(=O)C2CS(=O)(=O)C2)n1 ZINC001128105314 776103321 /nfs/dbraw/zinc/10/33/21/776103321.db2.gz WTKGBQDLRWMPQB-UHFFFAOYSA-N 1 2 287.345 -1.935 20 0 CAADLO O=C(NCC[NH2+]Cc1nncs1)C1CS(=O)(=O)C1 ZINC001128105481 776103481 /nfs/dbraw/zinc/10/34/81/776103481.db2.gz ZRWYNRODWYBEKH-UHFFFAOYSA-N 1 2 290.370 -1.212 20 0 CAADLO COCCC(=O)N[C@H]1CC[N@H+](CC(N)=O)C[C@@H]1O ZINC001099621319 776104190 /nfs/dbraw/zinc/10/41/90/776104190.db2.gz UTZNRNLMBJSOKW-IUCAKERBSA-N 1 2 259.306 -1.940 20 0 CAADLO COCCC(=O)N[C@H]1CC[N@@H+](CC(N)=O)C[C@@H]1O ZINC001099621319 776104197 /nfs/dbraw/zinc/10/41/97/776104197.db2.gz UTZNRNLMBJSOKW-IUCAKERBSA-N 1 2 259.306 -1.940 20 0 CAADLO NC(=O)C(=O)NC[C@@H]1COCC[N@@H+]1CC1CCOCC1 ZINC001272885725 776107012 /nfs/dbraw/zinc/10/70/12/776107012.db2.gz PWKLZKFPKPNRJF-LLVKDONJSA-N 1 2 285.344 -1.285 20 0 CAADLO NC(=O)C(=O)NC[C@@H]1COCC[N@H+]1CC1CCOCC1 ZINC001272885725 776107017 /nfs/dbraw/zinc/10/70/17/776107017.db2.gz PWKLZKFPKPNRJF-LLVKDONJSA-N 1 2 285.344 -1.285 20 0 CAADLO O=C(Cn1[nH]cc2c(=O)ncnc1-2)NCCC[NH2+]CCO ZINC001168653207 776109193 /nfs/dbraw/zinc/10/91/93/776109193.db2.gz MYEHURFPKDLKTE-UHFFFAOYSA-N 1 2 294.315 -1.841 20 0 CAADLO COCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2nnc[nH]2)C1 ZINC001077976642 776110473 /nfs/dbraw/zinc/11/04/73/776110473.db2.gz OJRNCYXWONYMPV-RKDXNWHRSA-N 1 2 269.305 -1.845 20 0 CAADLO COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2nnc[nH]2)C1 ZINC001077976642 776110475 /nfs/dbraw/zinc/11/04/75/776110475.db2.gz OJRNCYXWONYMPV-RKDXNWHRSA-N 1 2 269.305 -1.845 20 0 CAADLO CNC(=O)CN1C[C@@H](O)[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001078008785 776111885 /nfs/dbraw/zinc/11/18/85/776111885.db2.gz XGFBUWLTNFBQLS-GHMZBOCLSA-N 1 2 295.343 -2.130 20 0 CAADLO Cc1ccc(=O)n(CC(=O)N[C@@H]2C[N@H+](CCF)C[C@H]2O)n1 ZINC001078046070 776114682 /nfs/dbraw/zinc/11/46/82/776114682.db2.gz UZBRZJXCYKEREI-GHMZBOCLSA-N 1 2 298.318 -1.317 20 0 CAADLO Cc1ccc(=O)n(CC(=O)N[C@@H]2C[N@@H+](CCF)C[C@H]2O)n1 ZINC001078046070 776114691 /nfs/dbraw/zinc/11/46/91/776114691.db2.gz UZBRZJXCYKEREI-GHMZBOCLSA-N 1 2 298.318 -1.317 20 0 CAADLO CCCC(=O)N[C@@H]1CC[N@H+](CC(=O)NC(N)=O)C[C@@H]1O ZINC001099628279 776115724 /nfs/dbraw/zinc/11/57/24/776115724.db2.gz ZEPZKCVYEYBLDB-BDAKNGLRSA-N 1 2 286.332 -1.467 20 0 CAADLO CCCC(=O)N[C@@H]1CC[N@@H+](CC(=O)NC(N)=O)C[C@@H]1O ZINC001099628279 776115731 /nfs/dbraw/zinc/11/57/31/776115731.db2.gz ZEPZKCVYEYBLDB-BDAKNGLRSA-N 1 2 286.332 -1.467 20 0 CAADLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CN(CC(N)=O)C[C@H]1O ZINC001078080828 776116144 /nfs/dbraw/zinc/11/61/44/776116144.db2.gz HCLSMDZYQJALCY-NXEZZACHSA-N 1 2 281.316 -2.093 20 0 CAADLO CC(C)(C)C(=O)N[C@@H]1C[N@@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1O ZINC001078053233 776116879 /nfs/dbraw/zinc/11/68/79/776116879.db2.gz AFAUNAGCKNYIFJ-OPRDCNLKSA-N 1 2 297.355 -1.001 20 0 CAADLO CC(C)(C)C(=O)N[C@@H]1C[N@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1O ZINC001078053233 776116887 /nfs/dbraw/zinc/11/68/87/776116887.db2.gz AFAUNAGCKNYIFJ-OPRDCNLKSA-N 1 2 297.355 -1.001 20 0 CAADLO CC(=O)N1CC[C@H](C(=O)N[C@@H]2C[N@H+](CCF)C[C@H]2O)C1 ZINC001078090333 776116898 /nfs/dbraw/zinc/11/68/98/776116898.db2.gz NKJRFWJJEVAFBA-QJPTWQEYSA-N 1 2 287.335 -1.014 20 0 CAADLO CC(=O)N1CC[C@H](C(=O)N[C@@H]2C[N@@H+](CCF)C[C@H]2O)C1 ZINC001078090333 776116902 /nfs/dbraw/zinc/11/69/02/776116902.db2.gz NKJRFWJJEVAFBA-QJPTWQEYSA-N 1 2 287.335 -1.014 20 0 CAADLO CCCC(=O)N[C@H]1CC[N@H+](CC(=O)NC(N)=O)C[C@@H]1O ZINC001099628281 776117087 /nfs/dbraw/zinc/11/70/87/776117087.db2.gz ZEPZKCVYEYBLDB-IUCAKERBSA-N 1 2 286.332 -1.467 20 0 CAADLO CCCC(=O)N[C@H]1CC[N@@H+](CC(=O)NC(N)=O)C[C@@H]1O ZINC001099628281 776117090 /nfs/dbraw/zinc/11/70/90/776117090.db2.gz ZEPZKCVYEYBLDB-IUCAKERBSA-N 1 2 286.332 -1.467 20 0 CAADLO C[C@@H](CCNC(=O)C(N)=O)NC(=O)CCc1[nH]cc[nH+]1 ZINC001078115248 776119540 /nfs/dbraw/zinc/11/95/40/776119540.db2.gz VMBCGCAXVDPFJQ-QMMMGPOBSA-N 1 2 281.316 -1.161 20 0 CAADLO C[C@@H](CCNC(=O)C(N)=O)NC(=O)CCc1c[nH+]cn1C ZINC001078116163 776120993 /nfs/dbraw/zinc/12/09/93/776120993.db2.gz NKJDHLQHPGACAL-VIFPVBQESA-N 1 2 295.343 -1.151 20 0 CAADLO C[C@@H](CCNC(=O)C(N)=O)NC(=O)Cn1cc[nH+]c1 ZINC001078121300 776124608 /nfs/dbraw/zinc/12/46/08/776124608.db2.gz AJMJBCILDXOFPW-QMMMGPOBSA-N 1 2 267.289 -1.621 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cncn2)C1 ZINC001078141211 776126431 /nfs/dbraw/zinc/12/64/31/776126431.db2.gz RRJRQXCWNOEMKY-IWSPIJDZSA-N 1 2 282.304 -2.687 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cncn2)C1 ZINC001078141211 776126437 /nfs/dbraw/zinc/12/64/37/776126437.db2.gz RRJRQXCWNOEMKY-IWSPIJDZSA-N 1 2 282.304 -2.687 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cncn2)C1 ZINC001078142108 776127229 /nfs/dbraw/zinc/12/72/29/776127229.db2.gz IGIKBZXWGZCQRW-OPRDCNLKSA-N 1 2 296.331 -2.426 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cncn2)C1 ZINC001078142108 776127236 /nfs/dbraw/zinc/12/72/36/776127236.db2.gz IGIKBZXWGZCQRW-OPRDCNLKSA-N 1 2 296.331 -2.426 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cncn2)C1 ZINC001078142107 776128392 /nfs/dbraw/zinc/12/83/92/776128392.db2.gz IGIKBZXWGZCQRW-IVZWLZJFSA-N 1 2 296.331 -2.426 20 0 CAADLO CNC(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cncn2)C1 ZINC001078142107 776128394 /nfs/dbraw/zinc/12/83/94/776128394.db2.gz IGIKBZXWGZCQRW-IVZWLZJFSA-N 1 2 296.331 -2.426 20 0 CAADLO CC[C@@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2ccc[nH]2)C1 ZINC001078210660 776131768 /nfs/dbraw/zinc/13/17/68/776131768.db2.gz BIYAYRMJQYBJPP-GRYCIOLGSA-N 1 2 294.355 -1.018 20 0 CAADLO CC[C@@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2ccc[nH]2)C1 ZINC001078210660 776131771 /nfs/dbraw/zinc/13/17/71/776131771.db2.gz BIYAYRMJQYBJPP-GRYCIOLGSA-N 1 2 294.355 -1.018 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2ccc[nH]2)C1 ZINC001078208190 776133062 /nfs/dbraw/zinc/13/30/62/776133062.db2.gz JOQBPXRUJKVTJI-FBIMIBRVSA-N 1 2 280.328 -1.408 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2ccc[nH]2)C1 ZINC001078208190 776133065 /nfs/dbraw/zinc/13/30/65/776133065.db2.gz JOQBPXRUJKVTJI-FBIMIBRVSA-N 1 2 280.328 -1.408 20 0 CAADLO O=C(Cc1ccc[nH]1)N[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@H]1O ZINC001078207759 776133417 /nfs/dbraw/zinc/13/34/17/776133417.db2.gz AGHWQZBRZIHIHG-IJLUTSLNSA-N 1 2 292.339 -1.393 20 0 CAADLO O=C(Cc1ccc[nH]1)N[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@H]1O ZINC001078207759 776133421 /nfs/dbraw/zinc/13/34/21/776133421.db2.gz AGHWQZBRZIHIHG-IJLUTSLNSA-N 1 2 292.339 -1.393 20 0 CAADLO CC[C@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2ccc[nH]2)C1 ZINC001078210661 776133771 /nfs/dbraw/zinc/13/37/71/776133771.db2.gz BIYAYRMJQYBJPP-IJLUTSLNSA-N 1 2 294.355 -1.018 20 0 CAADLO CC[C@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2ccc[nH]2)C1 ZINC001078210661 776133774 /nfs/dbraw/zinc/13/37/74/776133774.db2.gz BIYAYRMJQYBJPP-IJLUTSLNSA-N 1 2 294.355 -1.018 20 0 CAADLO O=C(Cn1cc[nH+]c1)N[C@@H]1CN(Cc2cnon2)C[C@H]1O ZINC001078271967 776134635 /nfs/dbraw/zinc/13/46/35/776134635.db2.gz AHGXPBCHNPANCX-GHMZBOCLSA-N 1 2 292.299 -1.372 20 0 CAADLO O=C(Cn1cc[nH+]c1)N[C@@H]1CN([C@H]2CCNC2=O)C[C@H]1O ZINC001078270566 776134699 /nfs/dbraw/zinc/13/46/99/776134699.db2.gz DKJNQNJLILMRFK-OUAUKWLOSA-N 1 2 293.327 -2.067 20 0 CAADLO O=C(Cn1cc[nH+]c1)N[C@@H]1CN([C@@H]2CCNC2=O)C[C@H]1O ZINC001078270565 776134747 /nfs/dbraw/zinc/13/47/47/776134747.db2.gz DKJNQNJLILMRFK-GMTAPVOTSA-N 1 2 293.327 -2.067 20 0 CAADLO CN(C)C(=O)CN1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001078270852 776134882 /nfs/dbraw/zinc/13/48/82/776134882.db2.gz UMAIUEQEJIKYLR-GHMZBOCLSA-N 1 2 295.343 -1.867 20 0 CAADLO C[C@H](C(N)=O)N1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001078270784 776135282 /nfs/dbraw/zinc/13/52/82/776135282.db2.gz OCVLWYFPUQYPSX-OPRDCNLKSA-N 1 2 281.316 -2.082 20 0 CAADLO CNC(=O)[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001078272085 776135372 /nfs/dbraw/zinc/13/53/72/776135372.db2.gz GVNYKZVMUVGVRB-GMTAPVOTSA-N 1 2 295.343 -1.821 20 0 CAADLO CN1C[C@H](C(=O)N[C@@H]2C[N@H+](CCF)C[C@H]2O)CCC1=O ZINC001078233892 776135394 /nfs/dbraw/zinc/13/53/94/776135394.db2.gz CPQVRCJLOYAORE-GMTAPVOTSA-N 1 2 287.335 -1.014 20 0 CAADLO CN1C[C@H](C(=O)N[C@@H]2C[N@@H+](CCF)C[C@H]2O)CCC1=O ZINC001078233892 776135397 /nfs/dbraw/zinc/13/53/97/776135397.db2.gz CPQVRCJLOYAORE-GMTAPVOTSA-N 1 2 287.335 -1.014 20 0 CAADLO Cn1cc(C(=O)N[C@@H]2C[N@H+](CCF)C[C@H]2O)n(C)c1=O ZINC001078240964 776135571 /nfs/dbraw/zinc/13/55/71/776135571.db2.gz RKUJPJOOSSKXFF-PSASIEDQSA-N 1 2 286.307 -1.532 20 0 CAADLO Cn1cc(C(=O)N[C@@H]2C[N@@H+](CCF)C[C@H]2O)n(C)c1=O ZINC001078240964 776135572 /nfs/dbraw/zinc/13/55/72/776135572.db2.gz RKUJPJOOSSKXFF-PSASIEDQSA-N 1 2 286.307 -1.532 20 0 CAADLO CC[C@H](C(N)=O)N1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001078272391 776135932 /nfs/dbraw/zinc/13/59/32/776135932.db2.gz UPPFUHDQNCBBBY-GMTAPVOTSA-N 1 2 295.343 -1.692 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2[nH]cnc2C)C1 ZINC001078288355 776136994 /nfs/dbraw/zinc/13/69/94/776136994.db2.gz XXTGXDADLTZBAO-IVZWLZJFSA-N 1 2 295.343 -1.372 20 0 CAADLO CNC(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2[nH]cnc2C)C1 ZINC001078288355 776136999 /nfs/dbraw/zinc/13/69/99/776136999.db2.gz XXTGXDADLTZBAO-IVZWLZJFSA-N 1 2 295.343 -1.372 20 0 CAADLO CC[C@@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2[nH]cnc2C)C1 ZINC001078287790 776138133 /nfs/dbraw/zinc/13/81/33/776138133.db2.gz AUEGELVDTSDGEL-KXUCPTDWSA-N 1 2 295.343 -1.243 20 0 CAADLO CC[C@@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2[nH]cnc2C)C1 ZINC001078287790 776138139 /nfs/dbraw/zinc/13/81/39/776138139.db2.gz AUEGELVDTSDGEL-KXUCPTDWSA-N 1 2 295.343 -1.243 20 0 CAADLO O=C(C[C@@H]1CC(=O)NC1=O)N[C@@H]1C[N@@H+](CCF)C[C@H]1O ZINC001078289699 776138164 /nfs/dbraw/zinc/13/81/64/776138164.db2.gz ZJSRGODWXUIVBJ-IWSPIJDZSA-N 1 2 287.291 -1.830 20 0 CAADLO O=C(C[C@@H]1CC(=O)NC1=O)N[C@@H]1C[N@H+](CCF)C[C@H]1O ZINC001078289699 776138168 /nfs/dbraw/zinc/13/81/68/776138168.db2.gz ZJSRGODWXUIVBJ-IWSPIJDZSA-N 1 2 287.291 -1.830 20 0 CAADLO CN(C(=O)CN1CCN(C)C(=O)C1)C1C[NH+](CCO)C1 ZINC001043142643 776143702 /nfs/dbraw/zinc/14/37/02/776143702.db2.gz DKGHDJVBRFVSQC-UHFFFAOYSA-N 1 2 284.360 -2.105 20 0 CAADLO C[C@@H](CCNC(=O)Cc1c[nH]c[nH+]1)NC(=O)CNC(N)=O ZINC001078753051 776144617 /nfs/dbraw/zinc/14/46/17/776144617.db2.gz XWTPKXQOWGEJGR-QMMMGPOBSA-N 1 2 296.331 -1.369 20 0 CAADLO Cn1nnc(C[NH2+][C@H]2C[C@@H](NC(=O)C(N)=O)C23CCC3)n1 ZINC001078713046 776145103 /nfs/dbraw/zinc/14/51/03/776145103.db2.gz LCOOQCWMLBTUOL-JGVFFNPUSA-N 1 2 293.331 -1.788 20 0 CAADLO C[C@@H](CCNC(=O)Cc1c[nH]c[nH+]1)NC(=O)CC(N)=O ZINC001078751655 776145365 /nfs/dbraw/zinc/14/53/65/776145365.db2.gz BUZDPRFOYPMFPI-QMMMGPOBSA-N 1 2 281.316 -1.161 20 0 CAADLO CC[C@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)c2ccnnc2)[C@@H](O)C1 ZINC001083804642 776146216 /nfs/dbraw/zinc/14/62/16/776146216.db2.gz OZZVUIMLEMQJAN-MXWKQRLJSA-N 1 2 293.327 -1.485 20 0 CAADLO CC[C@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)c2ccnnc2)[C@@H](O)C1 ZINC001083804642 776146222 /nfs/dbraw/zinc/14/62/22/776146222.db2.gz OZZVUIMLEMQJAN-MXWKQRLJSA-N 1 2 293.327 -1.485 20 0 CAADLO CC(=O)N[C@H]1CC[N@H+](CC(=O)NC2CCOCC2)C[C@H]1O ZINC001089974879 776149061 /nfs/dbraw/zinc/14/90/61/776149061.db2.gz BKOMPHOBRBAXFZ-QWHCGFSZSA-N 1 2 299.371 -1.147 20 0 CAADLO CC(=O)N[C@H]1CC[N@@H+](CC(=O)NC2CCOCC2)C[C@H]1O ZINC001089974879 776149066 /nfs/dbraw/zinc/14/90/66/776149066.db2.gz BKOMPHOBRBAXFZ-QWHCGFSZSA-N 1 2 299.371 -1.147 20 0 CAADLO CC(=O)N[C@H]1CC[N@H+](CC(=O)NC2CC2)C[C@@H]1O ZINC001089975047 776149534 /nfs/dbraw/zinc/14/95/34/776149534.db2.gz DCRJKYYDIWPOMG-QWRGUYRKSA-N 1 2 255.318 -1.164 20 0 CAADLO CC(=O)N[C@H]1CC[N@@H+](CC(=O)NC2CC2)C[C@@H]1O ZINC001089975047 776149542 /nfs/dbraw/zinc/14/95/42/776149542.db2.gz DCRJKYYDIWPOMG-QWRGUYRKSA-N 1 2 255.318 -1.164 20 0 CAADLO CC(=O)N[C@@H]1CC[N@H+](CC(=O)NC2CCOCC2)C[C@@H]1O ZINC001089974878 776149948 /nfs/dbraw/zinc/14/99/48/776149948.db2.gz BKOMPHOBRBAXFZ-OLZOCXBDSA-N 1 2 299.371 -1.147 20 0 CAADLO CC(=O)N[C@@H]1CC[N@@H+](CC(=O)NC2CCOCC2)C[C@@H]1O ZINC001089974878 776149954 /nfs/dbraw/zinc/14/99/54/776149954.db2.gz BKOMPHOBRBAXFZ-OLZOCXBDSA-N 1 2 299.371 -1.147 20 0 CAADLO CC(=O)N[C@H]1CC[N@H+](CC(=O)N2CCNC(=O)C2)C[C@H]1O ZINC001089977065 776151850 /nfs/dbraw/zinc/15/18/50/776151850.db2.gz RYLISPVFQGCQBI-WDEREUQCSA-N 1 2 298.343 -2.484 20 0 CAADLO CC(=O)N[C@H]1CC[N@@H+](CC(=O)N2CCNC(=O)C2)C[C@H]1O ZINC001089977065 776151854 /nfs/dbraw/zinc/15/18/54/776151854.db2.gz RYLISPVFQGCQBI-WDEREUQCSA-N 1 2 298.343 -2.484 20 0 CAADLO CN(C(=O)c1nnn(C)n1)C1CN(Cc2c[nH+]cn2C)C1 ZINC001043556895 776151935 /nfs/dbraw/zinc/15/19/35/776151935.db2.gz ICFVTLZQRLPNIB-UHFFFAOYSA-N 1 2 290.331 -1.100 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)C(F)F)[C@@H](O)C1 ZINC001089983118 776160665 /nfs/dbraw/zinc/16/06/65/776160665.db2.gz HHTLHBDUTATHHW-BQBZGAKWSA-N 1 2 265.260 -1.451 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)C(F)F)[C@@H](O)C1 ZINC001089983118 776160672 /nfs/dbraw/zinc/16/06/72/776160672.db2.gz HHTLHBDUTATHHW-BQBZGAKWSA-N 1 2 265.260 -1.451 20 0 CAADLO COCc1noc(C[NH2+]CCNC(=O)Cn2nccn2)n1 ZINC001128269516 776156006 /nfs/dbraw/zinc/15/60/06/776156006.db2.gz NGAZKTOJHVOMCT-UHFFFAOYSA-N 1 2 295.303 -1.287 20 0 CAADLO CC[N@@H+]1CCOC[C@H]1CNC(=O)[C@H]1COC(=O)N1 ZINC001050894458 776161894 /nfs/dbraw/zinc/16/18/94/776161894.db2.gz QHGPWORQPFKWNJ-RKDXNWHRSA-N 1 2 257.290 -1.068 20 0 CAADLO CC[N@H+]1CCOC[C@H]1CNC(=O)[C@H]1COC(=O)N1 ZINC001050894458 776161899 /nfs/dbraw/zinc/16/18/99/776161899.db2.gz QHGPWORQPFKWNJ-RKDXNWHRSA-N 1 2 257.290 -1.068 20 0 CAADLO COCC(=O)NC[C@@H]1COCCN1C(=O)Cn1cc[nH+]c1 ZINC001061183059 776162787 /nfs/dbraw/zinc/16/27/87/776162787.db2.gz ZFOYRJGGLVGBAV-LLVKDONJSA-N 1 2 296.327 -1.127 20 0 CAADLO COCC(=O)NC[C@@H]1COCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001061203256 776164248 /nfs/dbraw/zinc/16/42/48/776164248.db2.gz FAMDHSKSGMXTES-LLVKDONJSA-N 1 2 296.327 -1.058 20 0 CAADLO COCC(=O)NC[C@@H]1COCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001061199941 776164258 /nfs/dbraw/zinc/16/42/58/776164258.db2.gz QGJALWOVQQFCAC-SNVBAGLBSA-N 1 2 296.327 -1.058 20 0 CAADLO CCOCC(=O)N[C@@H]1CC[N@H+](CC(N)=O)C[C@H]1O ZINC001099647910 776165413 /nfs/dbraw/zinc/16/54/13/776165413.db2.gz LKTOKEXWSNYJEU-RKDXNWHRSA-N 1 2 259.306 -1.940 20 0 CAADLO CCOCC(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C[C@H]1O ZINC001099647910 776165417 /nfs/dbraw/zinc/16/54/17/776165417.db2.gz LKTOKEXWSNYJEU-RKDXNWHRSA-N 1 2 259.306 -1.940 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C2CC2)[C@H](O)C1 ZINC001089988150 776165432 /nfs/dbraw/zinc/16/54/32/776165432.db2.gz FPMCHHIWNTWDGW-NXEZZACHSA-N 1 2 255.318 -1.306 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)C2CC2)[C@H](O)C1 ZINC001089988150 776165437 /nfs/dbraw/zinc/16/54/37/776165437.db2.gz FPMCHHIWNTWDGW-NXEZZACHSA-N 1 2 255.318 -1.306 20 0 CAADLO COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)c2cn[nH]n2)[C@H](OC)C1 ZINC001212503025 776167001 /nfs/dbraw/zinc/16/70/01/776167001.db2.gz VFZNRCWZPGPDGC-FBIMIBRVSA-N 1 2 299.331 -1.759 20 0 CAADLO COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)c2cn[nH]n2)[C@H](OC)C1 ZINC001212503025 776167006 /nfs/dbraw/zinc/16/70/06/776167006.db2.gz VFZNRCWZPGPDGC-FBIMIBRVSA-N 1 2 299.331 -1.759 20 0 CAADLO COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)c2cnn[nH]2)[C@H](OC)C1 ZINC001212503025 776167015 /nfs/dbraw/zinc/16/70/15/776167015.db2.gz VFZNRCWZPGPDGC-FBIMIBRVSA-N 1 2 299.331 -1.759 20 0 CAADLO CO[C@@H]1C[N@H+](CCOCCO)C[C@H]1NC(=O)c1cn[nH]n1 ZINC001212502928 776167156 /nfs/dbraw/zinc/16/71/56/776167156.db2.gz SURZBIBPRYEZSN-GHMZBOCLSA-N 1 2 299.331 -1.757 20 0 CAADLO CO[C@@H]1C[N@@H+](CCOCCO)C[C@H]1NC(=O)c1cn[nH]n1 ZINC001212502928 776167158 /nfs/dbraw/zinc/16/71/58/776167158.db2.gz SURZBIBPRYEZSN-GHMZBOCLSA-N 1 2 299.331 -1.757 20 0 CAADLO CO[C@@H]1C[N@H+](CCOCCO)C[C@H]1NC(=O)c1cnn[nH]1 ZINC001212502928 776167159 /nfs/dbraw/zinc/16/71/59/776167159.db2.gz SURZBIBPRYEZSN-GHMZBOCLSA-N 1 2 299.331 -1.757 20 0 CAADLO CO[C@@H]1C[N@@H+](CCOCCO)C[C@H]1NC(=O)c1cnn[nH]1 ZINC001212502928 776167161 /nfs/dbraw/zinc/16/71/61/776167161.db2.gz SURZBIBPRYEZSN-GHMZBOCLSA-N 1 2 299.331 -1.757 20 0 CAADLO CCOCC(=O)N[C@H]1CC[N@H+](CC(=O)NC2CC2)C[C@@H]1O ZINC001099648049 776167188 /nfs/dbraw/zinc/16/71/88/776167188.db2.gz NCXUUHWGAZRXHW-RYUDHWBXSA-N 1 2 299.371 -1.147 20 0 CAADLO CCOCC(=O)N[C@H]1CC[N@@H+](CC(=O)NC2CC2)C[C@@H]1O ZINC001099648049 776167195 /nfs/dbraw/zinc/16/71/95/776167195.db2.gz NCXUUHWGAZRXHW-RYUDHWBXSA-N 1 2 299.371 -1.147 20 0 CAADLO COC(=O)[C@H](Cc1c[nH+]cn1C)NC(=O)[C@@H]1CCC(=O)N1 ZINC001143128298 776167356 /nfs/dbraw/zinc/16/73/56/776167356.db2.gz OWGLEPYODDAWJC-UWVGGRQHSA-N 1 2 294.311 -1.101 20 0 CAADLO CC(F)(F)C(=O)N[C@H]1CC[N@H+](CC(N)=O)C[C@H]1O ZINC001089995850 776168319 /nfs/dbraw/zinc/16/83/19/776168319.db2.gz DPJOVYKFMRYILY-NKWVEPMBSA-N 1 2 265.260 -1.322 20 0 CAADLO CC(F)(F)C(=O)N[C@H]1CC[N@@H+](CC(N)=O)C[C@H]1O ZINC001089995850 776168324 /nfs/dbraw/zinc/16/83/24/776168324.db2.gz DPJOVYKFMRYILY-NKWVEPMBSA-N 1 2 265.260 -1.322 20 0 CAADLO CN(C(=O)Cc1[nH]cc[nH+]1)C1CN(Cc2nnn(C)n2)C1 ZINC001044091136 776168904 /nfs/dbraw/zinc/16/89/04/776168904.db2.gz VXZJYFPACLLBOR-UHFFFAOYSA-N 1 2 290.331 -1.182 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C(C)(F)F)[C@@H](O)C1 ZINC001089999502 776169525 /nfs/dbraw/zinc/16/95/25/776169525.db2.gz ZNNIKMALCCVFSM-SFYZADRCSA-N 1 2 279.287 -1.061 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)C(C)(F)F)[C@@H](O)C1 ZINC001089999502 776169530 /nfs/dbraw/zinc/16/95/30/776169530.db2.gz ZNNIKMALCCVFSM-SFYZADRCSA-N 1 2 279.287 -1.061 20 0 CAADLO CO[C@@H](C)C[N@@H+]1CCn2ncc(CNC(=O)C(N)=O)c2C1 ZINC001128467624 776170194 /nfs/dbraw/zinc/17/01/94/776170194.db2.gz ZZUQXLJPJDYHJK-VIFPVBQESA-N 1 2 295.343 -1.165 20 0 CAADLO CO[C@@H](C)C[N@H+]1CCn2ncc(CNC(=O)C(N)=O)c2C1 ZINC001128467624 776170198 /nfs/dbraw/zinc/17/01/98/776170198.db2.gz ZZUQXLJPJDYHJK-VIFPVBQESA-N 1 2 295.343 -1.165 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)CC2CC2)[C@H](O)C1 ZINC001090011817 776170241 /nfs/dbraw/zinc/17/02/41/776170241.db2.gz ZFUYXOSDXWCMGD-NXEZZACHSA-N 1 2 255.318 -1.177 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)CC2CC2)[C@H](O)C1 ZINC001090011817 776170245 /nfs/dbraw/zinc/17/02/45/776170245.db2.gz ZFUYXOSDXWCMGD-NXEZZACHSA-N 1 2 255.318 -1.177 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C2CCOCC2)[C@@H](O)C1 ZINC001090012157 776170321 /nfs/dbraw/zinc/17/03/21/776170321.db2.gz GJDGBBYFOFWECP-NEPJUHHUSA-N 1 2 299.371 -1.290 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)C2CCOCC2)[C@@H](O)C1 ZINC001090012157 776170325 /nfs/dbraw/zinc/17/03/25/776170325.db2.gz GJDGBBYFOFWECP-NEPJUHHUSA-N 1 2 299.371 -1.290 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ccccn2)[C@H](O)C1 ZINC001090006114 776170524 /nfs/dbraw/zinc/17/05/24/776170524.db2.gz JQGHWWIUCTZLNJ-ZYHUDNBSSA-N 1 2 292.339 -1.007 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2ccccn2)[C@H](O)C1 ZINC001090006114 776170526 /nfs/dbraw/zinc/17/05/26/776170526.db2.gz JQGHWWIUCTZLNJ-ZYHUDNBSSA-N 1 2 292.339 -1.007 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)C2CCOCC2)[C@H](O)C1 ZINC001090012158 776170547 /nfs/dbraw/zinc/17/05/47/776170547.db2.gz GJDGBBYFOFWECP-NWDGAFQWSA-N 1 2 299.371 -1.290 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)C2CCOCC2)[C@H](O)C1 ZINC001090012158 776170551 /nfs/dbraw/zinc/17/05/51/776170551.db2.gz GJDGBBYFOFWECP-NWDGAFQWSA-N 1 2 299.371 -1.290 20 0 CAADLO COCCC[N@@H+]1CCn2ncc(CNC(=O)C(N)=O)c2C1 ZINC001128466610 776170581 /nfs/dbraw/zinc/17/05/81/776170581.db2.gz FIEIIPXMAFXSRU-UHFFFAOYSA-N 1 2 295.343 -1.163 20 0 CAADLO COCCC[N@H+]1CCn2ncc(CNC(=O)C(N)=O)c2C1 ZINC001128466610 776170585 /nfs/dbraw/zinc/17/05/85/776170585.db2.gz FIEIIPXMAFXSRU-UHFFFAOYSA-N 1 2 295.343 -1.163 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C2CCOCC2)[C@H](O)C1 ZINC001090012160 776170879 /nfs/dbraw/zinc/17/08/79/776170879.db2.gz GJDGBBYFOFWECP-VXGBXAGGSA-N 1 2 299.371 -1.290 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)C2CCOCC2)[C@H](O)C1 ZINC001090012160 776170881 /nfs/dbraw/zinc/17/08/81/776170881.db2.gz GJDGBBYFOFWECP-VXGBXAGGSA-N 1 2 299.371 -1.290 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2ccncc2)[C@H](O)C1 ZINC001090015669 776171567 /nfs/dbraw/zinc/17/15/67/776171567.db2.gz YOAGBVZNWMRUCW-NWDGAFQWSA-N 1 2 292.339 -1.007 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)c2ccncc2)[C@H](O)C1 ZINC001090015669 776171571 /nfs/dbraw/zinc/17/15/71/776171571.db2.gz YOAGBVZNWMRUCW-NWDGAFQWSA-N 1 2 292.339 -1.007 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ccncc2)[C@@H](O)C1 ZINC001090016896 776171599 /nfs/dbraw/zinc/17/15/99/776171599.db2.gz PQSMASQDNTUTLY-MNOVXSKESA-N 1 2 278.312 -1.268 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)c2ccncc2)[C@@H](O)C1 ZINC001090016896 776171602 /nfs/dbraw/zinc/17/16/02/776171602.db2.gz PQSMASQDNTUTLY-MNOVXSKESA-N 1 2 278.312 -1.268 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)c2ccccn2)[C@H](O)C1 ZINC001090014860 776171742 /nfs/dbraw/zinc/17/17/42/776171742.db2.gz ULWMFNRPTHQGPP-GXSJLCMTSA-N 1 2 278.312 -1.268 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)c2ccccn2)[C@H](O)C1 ZINC001090014860 776171749 /nfs/dbraw/zinc/17/17/49/776171749.db2.gz ULWMFNRPTHQGPP-GXSJLCMTSA-N 1 2 278.312 -1.268 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cccnc2)[C@@H](O)C1 ZINC001090015812 776171902 /nfs/dbraw/zinc/17/19/02/776171902.db2.gz BZDVJDFKQSBTOC-MNOVXSKESA-N 1 2 278.312 -1.268 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cccnc2)[C@@H](O)C1 ZINC001090015812 776171904 /nfs/dbraw/zinc/17/19/04/776171904.db2.gz BZDVJDFKQSBTOC-MNOVXSKESA-N 1 2 278.312 -1.268 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)C2CCOCC2)[C@H](O)C1 ZINC001090014837 776171949 /nfs/dbraw/zinc/17/19/49/776171949.db2.gz UJCZBMDIWTWMSU-GHMZBOCLSA-N 1 2 285.344 -1.550 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)C2CCOCC2)[C@H](O)C1 ZINC001090014837 776171953 /nfs/dbraw/zinc/17/19/53/776171953.db2.gz UJCZBMDIWTWMSU-GHMZBOCLSA-N 1 2 285.344 -1.550 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ccncc2)[C@H](O)C1 ZINC001090016895 776171982 /nfs/dbraw/zinc/17/19/82/776171982.db2.gz PQSMASQDNTUTLY-GHMZBOCLSA-N 1 2 278.312 -1.268 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)c2ccncc2)[C@H](O)C1 ZINC001090016895 776171988 /nfs/dbraw/zinc/17/19/88/776171988.db2.gz PQSMASQDNTUTLY-GHMZBOCLSA-N 1 2 278.312 -1.268 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)c2ccncc2)[C@@H](O)C1 ZINC001090016897 776172343 /nfs/dbraw/zinc/17/23/43/776172343.db2.gz PQSMASQDNTUTLY-QWRGUYRKSA-N 1 2 278.312 -1.268 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)c2ccncc2)[C@@H](O)C1 ZINC001090016897 776172345 /nfs/dbraw/zinc/17/23/45/776172345.db2.gz PQSMASQDNTUTLY-QWRGUYRKSA-N 1 2 278.312 -1.268 20 0 CAADLO Cc1cc(C(=O)N[C@@H]2CC[N@H+](CC(N)=O)C[C@H]2O)no1 ZINC001090031491 776173801 /nfs/dbraw/zinc/17/38/01/776173801.db2.gz OAMHLBGWTAKDGS-PSASIEDQSA-N 1 2 282.300 -1.367 20 0 CAADLO Cc1cc(C(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C[C@H]2O)no1 ZINC001090031491 776173808 /nfs/dbraw/zinc/17/38/08/776173808.db2.gz OAMHLBGWTAKDGS-PSASIEDQSA-N 1 2 282.300 -1.367 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)C2=COCCO2)[C@@H](O)C1 ZINC001090026448 776173936 /nfs/dbraw/zinc/17/39/36/776173936.db2.gz MNJITJXRMBGWPE-UWVGGRQHSA-N 1 2 299.327 -1.828 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)C2=COCCO2)[C@@H](O)C1 ZINC001090026448 776173941 /nfs/dbraw/zinc/17/39/41/776173941.db2.gz MNJITJXRMBGWPE-UWVGGRQHSA-N 1 2 299.327 -1.828 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)c2ccco2)[C@@H](O)C1 ZINC001090021655 776174027 /nfs/dbraw/zinc/17/40/27/776174027.db2.gz WOOFLOYMPSTQBN-IUCAKERBSA-N 1 2 267.285 -1.070 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)c2ccco2)[C@@H](O)C1 ZINC001090021655 776174030 /nfs/dbraw/zinc/17/40/30/776174030.db2.gz WOOFLOYMPSTQBN-IUCAKERBSA-N 1 2 267.285 -1.070 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)C2=COCCO2)[C@H](O)C1 ZINC001090026449 776174076 /nfs/dbraw/zinc/17/40/76/776174076.db2.gz MNJITJXRMBGWPE-VHSXEESVSA-N 1 2 299.327 -1.828 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)C2=COCCO2)[C@H](O)C1 ZINC001090026449 776174080 /nfs/dbraw/zinc/17/40/80/776174080.db2.gz MNJITJXRMBGWPE-VHSXEESVSA-N 1 2 299.327 -1.828 20 0 CAADLO Cc1cnc(C(=O)N[C@H]2CC[N@H+](CC(N)=O)C[C@H]2O)cn1 ZINC001090036456 776174877 /nfs/dbraw/zinc/17/48/77/776174877.db2.gz FQQUBZKIUVFUHI-GXSJLCMTSA-N 1 2 293.327 -1.565 20 0 CAADLO Cc1cnc(C(=O)N[C@H]2CC[N@@H+](CC(N)=O)C[C@H]2O)cn1 ZINC001090036456 776174881 /nfs/dbraw/zinc/17/48/81/776174881.db2.gz FQQUBZKIUVFUHI-GXSJLCMTSA-N 1 2 293.327 -1.565 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cnccn2)[C@H](O)C1 ZINC001090037800 776174925 /nfs/dbraw/zinc/17/49/25/776174925.db2.gz LHDLPOLAHBPMBH-PSASIEDQSA-N 1 2 279.300 -1.873 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cnccn2)[C@H](O)C1 ZINC001090037800 776174927 /nfs/dbraw/zinc/17/49/27/776174927.db2.gz LHDLPOLAHBPMBH-PSASIEDQSA-N 1 2 279.300 -1.873 20 0 CAADLO Cc1cnc(C(=O)N[C@@H]2CC[N@H+](CC(N)=O)C[C@@H]2O)cn1 ZINC001090036458 776175568 /nfs/dbraw/zinc/17/55/68/776175568.db2.gz FQQUBZKIUVFUHI-KOLCDFICSA-N 1 2 293.327 -1.565 20 0 CAADLO Cc1cnc(C(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C[C@@H]2O)cn1 ZINC001090036458 776175573 /nfs/dbraw/zinc/17/55/73/776175573.db2.gz FQQUBZKIUVFUHI-KOLCDFICSA-N 1 2 293.327 -1.565 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ccc(=O)[nH]n2)[C@@H](O)C1 ZINC001090050582 776177323 /nfs/dbraw/zinc/17/73/23/776177323.db2.gz PPUXKRMLUCYPCM-APPZFPTMSA-N 1 2 295.299 -2.168 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)c2ccc(=O)[nH]n2)[C@@H](O)C1 ZINC001090050582 776177328 /nfs/dbraw/zinc/17/73/28/776177328.db2.gz PPUXKRMLUCYPCM-APPZFPTMSA-N 1 2 295.299 -2.168 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ccc(=O)[nH]n2)[C@H](O)C1 ZINC001090050585 776177682 /nfs/dbraw/zinc/17/76/82/776177682.db2.gz PPUXKRMLUCYPCM-VXNVDRBHSA-N 1 2 295.299 -2.168 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)c2ccc(=O)[nH]n2)[C@H](O)C1 ZINC001090050585 776177685 /nfs/dbraw/zinc/17/76/85/776177685.db2.gz PPUXKRMLUCYPCM-VXNVDRBHSA-N 1 2 295.299 -2.168 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cn2cnnn2)[C@H](O)C1 ZINC001090058351 776178622 /nfs/dbraw/zinc/17/86/22/776178622.db2.gz QCHLNGDPLREQAM-HTQZYQBOSA-N 1 2 283.292 -3.290 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)Cn2cnnn2)[C@H](O)C1 ZINC001090058351 776178629 /nfs/dbraw/zinc/17/86/29/776178629.db2.gz QCHLNGDPLREQAM-HTQZYQBOSA-N 1 2 283.292 -3.290 20 0 CAADLO Cn1cc(C(=O)N[C@H]2CC[N@H+](CC(N)=O)C[C@H]2O)cn1 ZINC001090061293 776178663 /nfs/dbraw/zinc/17/86/63/776178663.db2.gz PHEXGJHSTXXPKV-VHSXEESVSA-N 1 2 281.316 -1.930 20 0 CAADLO Cn1cc(C(=O)N[C@H]2CC[N@@H+](CC(N)=O)C[C@H]2O)cn1 ZINC001090061293 776178669 /nfs/dbraw/zinc/17/86/69/776178669.db2.gz PHEXGJHSTXXPKV-VHSXEESVSA-N 1 2 281.316 -1.930 20 0 CAADLO Cc1cc(C(=O)N[C@H]2CC[N@H+](CC(N)=O)C[C@H]2O)on1 ZINC001090058534 776179330 /nfs/dbraw/zinc/17/93/30/776179330.db2.gz SQOKBTCDUYKFAN-DTWKUNHWSA-N 1 2 282.300 -1.367 20 0 CAADLO Cc1cc(C(=O)N[C@H]2CC[N@@H+](CC(N)=O)C[C@H]2O)on1 ZINC001090058534 776179333 /nfs/dbraw/zinc/17/93/33/776179333.db2.gz SQOKBTCDUYKFAN-DTWKUNHWSA-N 1 2 282.300 -1.367 20 0 CAADLO Cc1cc(C(=O)N[C@@H]2CC[N@H+](CC(N)=O)C[C@@H]2O)on1 ZINC001090058533 776179352 /nfs/dbraw/zinc/17/93/52/776179352.db2.gz SQOKBTCDUYKFAN-BDAKNGLRSA-N 1 2 282.300 -1.367 20 0 CAADLO Cc1cc(C(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C[C@@H]2O)on1 ZINC001090058533 776179355 /nfs/dbraw/zinc/17/93/55/776179355.db2.gz SQOKBTCDUYKFAN-BDAKNGLRSA-N 1 2 282.300 -1.367 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cnn(C)c2)[C@@H](O)C1 ZINC001090061523 776180533 /nfs/dbraw/zinc/18/05/33/776180533.db2.gz RZRVVKGRELFXSB-QWRGUYRKSA-N 1 2 295.343 -1.669 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cnn(C)c2)[C@@H](O)C1 ZINC001090061523 776180543 /nfs/dbraw/zinc/18/05/43/776180543.db2.gz RZRVVKGRELFXSB-QWRGUYRKSA-N 1 2 295.343 -1.669 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cnn(C)c2)[C@@H](O)C1 ZINC001090061522 776180766 /nfs/dbraw/zinc/18/07/66/776180766.db2.gz RZRVVKGRELFXSB-MNOVXSKESA-N 1 2 295.343 -1.669 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cnn(C)c2)[C@@H](O)C1 ZINC001090061522 776180773 /nfs/dbraw/zinc/18/07/73/776180773.db2.gz RZRVVKGRELFXSB-MNOVXSKESA-N 1 2 295.343 -1.669 20 0 CAADLO Cc1ccc(C(=O)N[C@@H]2CC[N@H+](CC(N)=O)C[C@H]2O)n1C ZINC001090068458 776180822 /nfs/dbraw/zinc/18/08/22/776180822.db2.gz LKKUPOLXOJOTTD-ZYHUDNBSSA-N 1 2 294.355 -1.016 20 0 CAADLO Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C[C@H]2O)n1C ZINC001090068458 776180827 /nfs/dbraw/zinc/18/08/27/776180827.db2.gz LKKUPOLXOJOTTD-ZYHUDNBSSA-N 1 2 294.355 -1.016 20 0 CAADLO C[N@@H+]1C[C@@H]2COC[C@H](C1)N2C(=O)CN1CCC(=O)C1 ZINC001273024376 776180838 /nfs/dbraw/zinc/18/08/38/776180838.db2.gz QZGSBTRMMRNZLL-PHIMTYICSA-N 1 2 267.329 -1.197 20 0 CAADLO C[N@H+]1C[C@@H]2COC[C@H](C1)N2C(=O)CN1CCC(=O)C1 ZINC001273024376 776180843 /nfs/dbraw/zinc/18/08/43/776180843.db2.gz QZGSBTRMMRNZLL-PHIMTYICSA-N 1 2 267.329 -1.197 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cn2cccn2)[C@H](O)C1 ZINC001090071957 776180856 /nfs/dbraw/zinc/18/08/56/776180856.db2.gz IUTGWXGXOHSVCW-GHMZBOCLSA-N 1 2 295.343 -1.820 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)Cn2cccn2)[C@H](O)C1 ZINC001090071957 776180861 /nfs/dbraw/zinc/18/08/61/776180861.db2.gz IUTGWXGXOHSVCW-GHMZBOCLSA-N 1 2 295.343 -1.820 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ccoc2)[C@H](O)C1 ZINC001090071647 776180933 /nfs/dbraw/zinc/18/09/33/776180933.db2.gz GWUYEILOOUYADZ-NXEZZACHSA-N 1 2 267.285 -1.070 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)c2ccoc2)[C@H](O)C1 ZINC001090071647 776180936 /nfs/dbraw/zinc/18/09/36/776180936.db2.gz GWUYEILOOUYADZ-NXEZZACHSA-N 1 2 267.285 -1.070 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)c2ccoc2)[C@@H](O)C1 ZINC001090071649 776180967 /nfs/dbraw/zinc/18/09/67/776180967.db2.gz GWUYEILOOUYADZ-UWVGGRQHSA-N 1 2 267.285 -1.070 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)c2ccoc2)[C@@H](O)C1 ZINC001090071649 776180970 /nfs/dbraw/zinc/18/09/70/776180970.db2.gz GWUYEILOOUYADZ-UWVGGRQHSA-N 1 2 267.285 -1.070 20 0 CAADLO Cc1ccnn1CC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(N)=O)C[C@@H]1O ZINC001083822642 776180984 /nfs/dbraw/zinc/18/09/84/776180984.db2.gz LIBVNRPBXXXQKC-AXFHLTTASA-N 1 2 295.343 -1.773 20 0 CAADLO Cc1ccnn1CC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(N)=O)C[C@@H]1O ZINC001083822642 776180987 /nfs/dbraw/zinc/18/09/87/776180987.db2.gz LIBVNRPBXXXQKC-AXFHLTTASA-N 1 2 295.343 -1.773 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ccc[nH]2)[C@@H](O)C1 ZINC001090069599 776180994 /nfs/dbraw/zinc/18/09/94/776180994.db2.gz QZXXDWVMZPQXCJ-KOLCDFICSA-N 1 2 280.328 -1.074 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2ccc[nH]2)[C@@H](O)C1 ZINC001090069599 776180996 /nfs/dbraw/zinc/18/09/96/776180996.db2.gz QZXXDWVMZPQXCJ-KOLCDFICSA-N 1 2 280.328 -1.074 20 0 CAADLO Cc1ccnn1CC(=O)N[C@@H]1C[N@H+]([C@H](C)C(N)=O)C[C@@H]1O ZINC001083822643 776181066 /nfs/dbraw/zinc/18/10/66/776181066.db2.gz LIBVNRPBXXXQKC-MXWKQRLJSA-N 1 2 295.343 -1.773 20 0 CAADLO Cc1ccnn1CC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(N)=O)C[C@@H]1O ZINC001083822643 776181068 /nfs/dbraw/zinc/18/10/68/776181068.db2.gz LIBVNRPBXXXQKC-MXWKQRLJSA-N 1 2 295.343 -1.773 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)CN2CCCC2=O)[C@@H](O)C1 ZINC001090061422 776181092 /nfs/dbraw/zinc/18/10/92/776181092.db2.gz QIDPIQQBXHGOLI-UWVGGRQHSA-N 1 2 298.343 -2.355 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)CN2CCCC2=O)[C@@H](O)C1 ZINC001090061422 776181095 /nfs/dbraw/zinc/18/10/95/776181095.db2.gz QIDPIQQBXHGOLI-UWVGGRQHSA-N 1 2 298.343 -2.355 20 0 CAADLO Cc1nnsc1C(=O)N[C@H]1CC[N@H+](CC(N)=O)C[C@@H]1O ZINC001090066040 776181170 /nfs/dbraw/zinc/18/11/70/776181170.db2.gz UUSKEYRPPPBXRZ-YUMQZZPRSA-N 1 2 299.356 -1.503 20 0 CAADLO Cc1nnsc1C(=O)N[C@H]1CC[N@@H+](CC(N)=O)C[C@@H]1O ZINC001090066040 776181173 /nfs/dbraw/zinc/18/11/73/776181173.db2.gz UUSKEYRPPPBXRZ-YUMQZZPRSA-N 1 2 299.356 -1.503 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)Cn2cccn2)[C@@H](O)C1 ZINC001090078508 776181565 /nfs/dbraw/zinc/18/15/65/776181565.db2.gz IWAJTDHRAUVHRV-UWVGGRQHSA-N 1 2 281.316 -2.080 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)Cn2cccn2)[C@@H](O)C1 ZINC001090078508 776181575 /nfs/dbraw/zinc/18/15/75/776181575.db2.gz IWAJTDHRAUVHRV-UWVGGRQHSA-N 1 2 281.316 -2.080 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cn2cccn2)[C@H](O)C1 ZINC001090078507 776182030 /nfs/dbraw/zinc/18/20/30/776182030.db2.gz IWAJTDHRAUVHRV-NXEZZACHSA-N 1 2 281.316 -2.080 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)Cn2cccn2)[C@H](O)C1 ZINC001090078507 776182035 /nfs/dbraw/zinc/18/20/35/776182035.db2.gz IWAJTDHRAUVHRV-NXEZZACHSA-N 1 2 281.316 -2.080 20 0 CAADLO Cc1c(C(=O)N[C@@H]2CC[N@H+](CC(N)=O)C[C@@H]2O)cnn1C ZINC001090078236 776182080 /nfs/dbraw/zinc/18/20/80/776182080.db2.gz DRHFZOFKRNMHAB-MNOVXSKESA-N 1 2 295.343 -1.621 20 0 CAADLO Cc1c(C(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C[C@@H]2O)cnn1C ZINC001090078236 776182086 /nfs/dbraw/zinc/18/20/86/776182086.db2.gz DRHFZOFKRNMHAB-MNOVXSKESA-N 1 2 295.343 -1.621 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cn2cccn2)[C@@H](O)C1 ZINC001090078510 776182213 /nfs/dbraw/zinc/18/22/13/776182213.db2.gz IWAJTDHRAUVHRV-ZJUUUORDSA-N 1 2 281.316 -2.080 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)Cn2cccn2)[C@@H](O)C1 ZINC001090078510 776182218 /nfs/dbraw/zinc/18/22/18/776182218.db2.gz IWAJTDHRAUVHRV-ZJUUUORDSA-N 1 2 281.316 -2.080 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ccon2)[C@@H](O)C1 ZINC001090091373 776183643 /nfs/dbraw/zinc/18/36/43/776183643.db2.gz AXAOLLBVQORLGB-APPZFPTMSA-N 1 2 268.273 -1.675 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)c2ccon2)[C@@H](O)C1 ZINC001090091373 776183645 /nfs/dbraw/zinc/18/36/45/776183645.db2.gz AXAOLLBVQORLGB-APPZFPTMSA-N 1 2 268.273 -1.675 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cccn2C)[C@@H](O)C1 ZINC001090089794 776183904 /nfs/dbraw/zinc/18/39/04/776183904.db2.gz YPWMGQIIXTZKQI-PWSUYJOCSA-N 1 2 294.355 -1.064 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cccn2C)[C@@H](O)C1 ZINC001090089794 776183907 /nfs/dbraw/zinc/18/39/07/776183907.db2.gz YPWMGQIIXTZKQI-PWSUYJOCSA-N 1 2 294.355 -1.064 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ccon2)[C@@H](O)C1 ZINC001090091008 776184012 /nfs/dbraw/zinc/18/40/12/776184012.db2.gz AHVUOAJQGDJNME-SCZZXKLOSA-N 1 2 282.300 -1.414 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2ccon2)[C@@H](O)C1 ZINC001090091008 776184014 /nfs/dbraw/zinc/18/40/14/776184014.db2.gz AHVUOAJQGDJNME-SCZZXKLOSA-N 1 2 282.300 -1.414 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ccon2)[C@H](O)C1 ZINC001090091004 776184105 /nfs/dbraw/zinc/18/41/05/776184105.db2.gz AHVUOAJQGDJNME-PSASIEDQSA-N 1 2 282.300 -1.414 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2ccon2)[C@H](O)C1 ZINC001090091004 776184107 /nfs/dbraw/zinc/18/41/07/776184107.db2.gz AHVUOAJQGDJNME-PSASIEDQSA-N 1 2 282.300 -1.414 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cccn2C)[C@@H](O)C1 ZINC001090089793 776184189 /nfs/dbraw/zinc/18/41/89/776184189.db2.gz YPWMGQIIXTZKQI-JQWIXIFHSA-N 1 2 294.355 -1.064 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cccn2C)[C@@H](O)C1 ZINC001090089793 776184190 /nfs/dbraw/zinc/18/41/90/776184190.db2.gz YPWMGQIIXTZKQI-JQWIXIFHSA-N 1 2 294.355 -1.064 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cn[nH]c2)[C@H](O)C1 ZINC001090100683 776184933 /nfs/dbraw/zinc/18/49/33/776184933.db2.gz UFJDHIJCFKTOTP-NXEZZACHSA-N 1 2 281.316 -1.679 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cn[nH]c2)[C@H](O)C1 ZINC001090100683 776184938 /nfs/dbraw/zinc/18/49/38/776184938.db2.gz UFJDHIJCFKTOTP-NXEZZACHSA-N 1 2 281.316 -1.679 20 0 CAADLO Cc1ncncc1C(=O)N[C@@H]1CC[N@H+](CC(N)=O)C[C@H]1O ZINC001090097261 776185237 /nfs/dbraw/zinc/18/52/37/776185237.db2.gz WTKJEWYQUPJUHO-GHMZBOCLSA-N 1 2 293.327 -1.565 20 0 CAADLO Cc1ncncc1C(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C[C@H]1O ZINC001090097261 776185243 /nfs/dbraw/zinc/18/52/43/776185243.db2.gz WTKJEWYQUPJUHO-GHMZBOCLSA-N 1 2 293.327 -1.565 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cn[nH]c2)[C@@H](O)C1 ZINC001090100686 776185648 /nfs/dbraw/zinc/18/56/48/776185648.db2.gz UFJDHIJCFKTOTP-UWVGGRQHSA-N 1 2 281.316 -1.679 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cn[nH]c2)[C@@H](O)C1 ZINC001090100686 776185652 /nfs/dbraw/zinc/18/56/52/776185652.db2.gz UFJDHIJCFKTOTP-UWVGGRQHSA-N 1 2 281.316 -1.679 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cnns2)[C@@H](O)C1 ZINC001090101857 776185879 /nfs/dbraw/zinc/18/58/79/776185879.db2.gz CITJDCBAKPBSHL-RQJHMYQMSA-N 1 2 285.329 -1.812 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cnns2)[C@@H](O)C1 ZINC001090101857 776185883 /nfs/dbraw/zinc/18/58/83/776185883.db2.gz CITJDCBAKPBSHL-RQJHMYQMSA-N 1 2 285.329 -1.812 20 0 CAADLO CCc1cc(C(=O)N[C@@H]2CC[N@H+](CC(N)=O)C[C@H]2O)[nH]n1 ZINC001090101342 776187042 /nfs/dbraw/zinc/18/70/42/776187042.db2.gz XFMZWGYERVWJRI-MWLCHTKSSA-N 1 2 295.343 -1.378 20 0 CAADLO CCc1cc(C(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C[C@H]2O)[nH]n1 ZINC001090101342 776187047 /nfs/dbraw/zinc/18/70/47/776187047.db2.gz XFMZWGYERVWJRI-MWLCHTKSSA-N 1 2 295.343 -1.378 20 0 CAADLO CCc1cc(C(=O)N[C@@H]2CC[N@H+](CC(N)=O)C[C@@H]2O)[nH]n1 ZINC001090101341 776187090 /nfs/dbraw/zinc/18/70/90/776187090.db2.gz XFMZWGYERVWJRI-KOLCDFICSA-N 1 2 295.343 -1.378 20 0 CAADLO CCc1cc(C(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C[C@@H]2O)[nH]n1 ZINC001090101341 776187094 /nfs/dbraw/zinc/18/70/94/776187094.db2.gz XFMZWGYERVWJRI-KOLCDFICSA-N 1 2 295.343 -1.378 20 0 CAADLO C[C@H](CNc1[nH+]cnc2c1cnn2C)NC(=O)C(N)=O ZINC001108074827 776187208 /nfs/dbraw/zinc/18/72/08/776187208.db2.gz KAOJRCQATDXJKG-ZCFIWIBFSA-N 1 2 277.288 -1.235 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)Cc2cscn2)[C@@H](O)C1 ZINC001083836593 776187336 /nfs/dbraw/zinc/18/73/36/776187336.db2.gz MCLJYOOZZDWTRS-QNSHHTMESA-N 1 2 298.368 -1.279 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)Cc2cscn2)[C@@H](O)C1 ZINC001083836593 776187338 /nfs/dbraw/zinc/18/73/38/776187338.db2.gz MCLJYOOZZDWTRS-QNSHHTMESA-N 1 2 298.368 -1.279 20 0 CAADLO Cc1nc(N(C)C)nc(NC[C@@H](C)NC(=O)C(N)=O)[nH+]1 ZINC001108074811 776187389 /nfs/dbraw/zinc/18/73/89/776187389.db2.gz JJSVDDNQTYKNCE-ZCFIWIBFSA-N 1 2 281.320 -1.352 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)c2ccn[nH]2)[C@H](O)C1 ZINC001090101551 776187432 /nfs/dbraw/zinc/18/74/32/776187432.db2.gz ZETWOIUIJIDHEO-IONNQARKSA-N 1 2 267.289 -1.940 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)c2ccn[nH]2)[C@H](O)C1 ZINC001090101551 776187435 /nfs/dbraw/zinc/18/74/35/776187435.db2.gz ZETWOIUIJIDHEO-IONNQARKSA-N 1 2 267.289 -1.940 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cc(C)n[nH]2)[C@H](O)C1 ZINC001090105440 776188933 /nfs/dbraw/zinc/18/89/33/776188933.db2.gz VYCUSHAJDJNAIS-MWLCHTKSSA-N 1 2 295.343 -1.371 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cc(C)n[nH]2)[C@H](O)C1 ZINC001090105440 776188934 /nfs/dbraw/zinc/18/89/34/776188934.db2.gz VYCUSHAJDJNAIS-MWLCHTKSSA-N 1 2 295.343 -1.371 20 0 CAADLO Cc1cc(C(=O)N[C@@H]2CC[N@H+](CC(N)=O)C[C@H]2O)[nH]n1 ZINC001090105826 776190260 /nfs/dbraw/zinc/19/02/60/776190260.db2.gz XUSUWOOTSMFQGF-PSASIEDQSA-N 1 2 281.316 -1.632 20 0 CAADLO Cc1cc(C(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C[C@H]2O)[nH]n1 ZINC001090105826 776190263 /nfs/dbraw/zinc/19/02/63/776190263.db2.gz XUSUWOOTSMFQGF-PSASIEDQSA-N 1 2 281.316 -1.632 20 0 CAADLO Cc1cc(C(=O)N[C@H]2CC[N@H+](CC(N)=O)C[C@@H]2O)[nH]n1 ZINC001090105829 776190457 /nfs/dbraw/zinc/19/04/57/776190457.db2.gz XUSUWOOTSMFQGF-WPRPVWTQSA-N 1 2 281.316 -1.632 20 0 CAADLO Cc1cc(C(=O)N[C@H]2CC[N@@H+](CC(N)=O)C[C@@H]2O)[nH]n1 ZINC001090105829 776190464 /nfs/dbraw/zinc/19/04/64/776190464.db2.gz XUSUWOOTSMFQGF-WPRPVWTQSA-N 1 2 281.316 -1.632 20 0 CAADLO Cc1cnn(CC(=O)N[C@H]2CC[N@H+](CC(N)=O)C[C@H]2O)c1 ZINC001090111300 776191204 /nfs/dbraw/zinc/19/12/04/776191204.db2.gz KJKMJIDWWNFDCD-WDEREUQCSA-N 1 2 295.343 -1.772 20 0 CAADLO Cc1cnn(CC(=O)N[C@H]2CC[N@@H+](CC(N)=O)C[C@H]2O)c1 ZINC001090111300 776191209 /nfs/dbraw/zinc/19/12/09/776191209.db2.gz KJKMJIDWWNFDCD-WDEREUQCSA-N 1 2 295.343 -1.772 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cnsn2)[C@@H](O)C1 ZINC001090110117 776191344 /nfs/dbraw/zinc/19/13/44/776191344.db2.gz UJWQTMAPUDCYHJ-APPZFPTMSA-N 1 2 299.356 -1.551 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cnsn2)[C@@H](O)C1 ZINC001090110117 776191348 /nfs/dbraw/zinc/19/13/48/776191348.db2.gz UJWQTMAPUDCYHJ-APPZFPTMSA-N 1 2 299.356 -1.551 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cn[nH]c2)[C@H](O)C1 ZINC001090106824 776191382 /nfs/dbraw/zinc/19/13/82/776191382.db2.gz FIFPVLZCDDKKEO-DTWKUNHWSA-N 1 2 267.289 -1.940 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)c2cn[nH]c2)[C@H](O)C1 ZINC001090106824 776191384 /nfs/dbraw/zinc/19/13/84/776191384.db2.gz FIFPVLZCDDKKEO-DTWKUNHWSA-N 1 2 267.289 -1.940 20 0 CAADLO Cc1cnn(CC(=O)N[C@H]2CC[N@H+](CC(N)=O)C[C@@H]2O)c1 ZINC001090111299 776191962 /nfs/dbraw/zinc/19/19/62/776191962.db2.gz KJKMJIDWWNFDCD-QWRGUYRKSA-N 1 2 295.343 -1.772 20 0 CAADLO Cc1cnn(CC(=O)N[C@H]2CC[N@@H+](CC(N)=O)C[C@@H]2O)c1 ZINC001090111299 776191966 /nfs/dbraw/zinc/19/19/66/776191966.db2.gz KJKMJIDWWNFDCD-QWRGUYRKSA-N 1 2 295.343 -1.772 20 0 CAADLO Cc1cnn(CC(=O)N[C@@H]2CC[N@H+](CC(N)=O)C[C@@H]2O)c1 ZINC001090111298 776192092 /nfs/dbraw/zinc/19/20/92/776192092.db2.gz KJKMJIDWWNFDCD-MNOVXSKESA-N 1 2 295.343 -1.772 20 0 CAADLO Cc1cnn(CC(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C[C@@H]2O)c1 ZINC001090111298 776192099 /nfs/dbraw/zinc/19/20/99/776192099.db2.gz KJKMJIDWWNFDCD-MNOVXSKESA-N 1 2 295.343 -1.772 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ccnc(F)c2)[C@@H](O)C1 ZINC001090113525 776192823 /nfs/dbraw/zinc/19/28/23/776192823.db2.gz LWMJUIXUVXIRIT-ZJUUUORDSA-N 1 2 296.302 -1.129 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)c2ccnc(F)c2)[C@@H](O)C1 ZINC001090113525 776192825 /nfs/dbraw/zinc/19/28/25/776192825.db2.gz LWMJUIXUVXIRIT-ZJUUUORDSA-N 1 2 296.302 -1.129 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)c2ccnc(F)c2)[C@H](O)C1 ZINC001090113524 776193449 /nfs/dbraw/zinc/19/34/49/776193449.db2.gz LWMJUIXUVXIRIT-VHSXEESVSA-N 1 2 296.302 -1.129 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)c2ccnc(F)c2)[C@H](O)C1 ZINC001090113524 776193457 /nfs/dbraw/zinc/19/34/57/776193457.db2.gz LWMJUIXUVXIRIT-VHSXEESVSA-N 1 2 296.302 -1.129 20 0 CAADLO Cc1cc(C(=O)N[C@@H]2CC[N@H+](CC(N)=O)C[C@@H]2O)n(C)n1 ZINC001090117570 776193576 /nfs/dbraw/zinc/19/35/76/776193576.db2.gz CYCMJKJAEBTRIP-KOLCDFICSA-N 1 2 295.343 -1.621 20 0 CAADLO Cc1cc(C(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C[C@@H]2O)n(C)n1 ZINC001090117570 776193582 /nfs/dbraw/zinc/19/35/82/776193582.db2.gz CYCMJKJAEBTRIP-KOLCDFICSA-N 1 2 295.343 -1.621 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cncs2)[C@H](O)C1 ZINC001090112325 776193680 /nfs/dbraw/zinc/19/36/80/776193680.db2.gz IFXJMTQZKNOODT-HTQZYQBOSA-N 1 2 284.341 -1.207 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cncs2)[C@H](O)C1 ZINC001090112325 776193688 /nfs/dbraw/zinc/19/36/88/776193688.db2.gz IFXJMTQZKNOODT-HTQZYQBOSA-N 1 2 284.341 -1.207 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cocn2)[C@@H](O)C1 ZINC001090122000 776194406 /nfs/dbraw/zinc/19/44/06/776194406.db2.gz BXUDZUKNHINICS-SCZZXKLOSA-N 1 2 282.300 -1.414 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cocn2)[C@@H](O)C1 ZINC001090122000 776194414 /nfs/dbraw/zinc/19/44/14/776194414.db2.gz BXUDZUKNHINICS-SCZZXKLOSA-N 1 2 282.300 -1.414 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C2=COCCC2)[C@H](O)C1 ZINC001090122155 776195303 /nfs/dbraw/zinc/19/53/03/776195303.db2.gz DTIQJULXQOGUPJ-VXGBXAGGSA-N 1 2 297.355 -1.022 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)C2=COCCC2)[C@H](O)C1 ZINC001090122155 776195306 /nfs/dbraw/zinc/19/53/06/776195306.db2.gz DTIQJULXQOGUPJ-VXGBXAGGSA-N 1 2 297.355 -1.022 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2ncoc2C)[C@H](O)C1 ZINC001090120859 776195361 /nfs/dbraw/zinc/19/53/61/776195361.db2.gz VNRLORCXHCSGDT-VHSXEESVSA-N 1 2 296.327 -1.106 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)c2ncoc2C)[C@H](O)C1 ZINC001090120859 776195363 /nfs/dbraw/zinc/19/53/63/776195363.db2.gz VNRLORCXHCSGDT-VHSXEESVSA-N 1 2 296.327 -1.106 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)C2=COCCC2)[C@H](O)C1 ZINC001090124605 776196387 /nfs/dbraw/zinc/19/63/87/776196387.db2.gz SODUUMVZINUFAK-GHMZBOCLSA-N 1 2 283.328 -1.283 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)C2=COCCC2)[C@H](O)C1 ZINC001090124605 776196391 /nfs/dbraw/zinc/19/63/91/776196391.db2.gz SODUUMVZINUFAK-GHMZBOCLSA-N 1 2 283.328 -1.283 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)Cc2ccon2)[C@@H](O)C1 ZINC001090128706 776196579 /nfs/dbraw/zinc/19/65/79/776196579.db2.gz HSZBTBUFPGMLCL-QWRGUYRKSA-N 1 2 296.327 -1.486 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)Cc2ccon2)[C@@H](O)C1 ZINC001090128706 776196583 /nfs/dbraw/zinc/19/65/83/776196583.db2.gz HSZBTBUFPGMLCL-QWRGUYRKSA-N 1 2 296.327 -1.486 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cc2ccon2)[C@@H](O)C1 ZINC001090128705 776196623 /nfs/dbraw/zinc/19/66/23/776196623.db2.gz HSZBTBUFPGMLCL-MNOVXSKESA-N 1 2 296.327 -1.486 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)Cc2ccon2)[C@@H](O)C1 ZINC001090128705 776196628 /nfs/dbraw/zinc/19/66/28/776196628.db2.gz HSZBTBUFPGMLCL-MNOVXSKESA-N 1 2 296.327 -1.486 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ccnn2C)[C@@H](O)C1 ZINC001090129978 776196866 /nfs/dbraw/zinc/19/68/66/776196866.db2.gz RYQUKDVSVMHJPX-KOLCDFICSA-N 1 2 295.343 -1.669 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2ccnn2C)[C@@H](O)C1 ZINC001090129978 776196869 /nfs/dbraw/zinc/19/68/69/776196869.db2.gz RYQUKDVSVMHJPX-KOLCDFICSA-N 1 2 295.343 -1.669 20 0 CAADLO Cc1nn(C)cc1C(=O)N[C@H]1CC[N@H+](CC(N)=O)C[C@H]1O ZINC001090131974 776197489 /nfs/dbraw/zinc/19/74/89/776197489.db2.gz DJBKRNBJBDMLNO-WDEREUQCSA-N 1 2 295.343 -1.621 20 0 CAADLO Cc1nn(C)cc1C(=O)N[C@H]1CC[N@@H+](CC(N)=O)C[C@H]1O ZINC001090131974 776197494 /nfs/dbraw/zinc/19/74/94/776197494.db2.gz DJBKRNBJBDMLNO-WDEREUQCSA-N 1 2 295.343 -1.621 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cscn2)[C@@H](O)C1 ZINC001090134964 776197818 /nfs/dbraw/zinc/19/78/18/776197818.db2.gz RUQFBDZCZLEIDO-APPZFPTMSA-N 1 2 284.341 -1.207 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cscn2)[C@@H](O)C1 ZINC001090134964 776197827 /nfs/dbraw/zinc/19/78/27/776197827.db2.gz RUQFBDZCZLEIDO-APPZFPTMSA-N 1 2 284.341 -1.207 20 0 CAADLO Cc1nn(C)cc1C(=O)N[C@@H]1CC[N@H+](CC(N)=O)C[C@@H]1O ZINC001090131969 776198213 /nfs/dbraw/zinc/19/82/13/776198213.db2.gz DJBKRNBJBDMLNO-MNOVXSKESA-N 1 2 295.343 -1.621 20 0 CAADLO Cc1nn(C)cc1C(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C[C@@H]1O ZINC001090131969 776198214 /nfs/dbraw/zinc/19/82/14/776198214.db2.gz DJBKRNBJBDMLNO-MNOVXSKESA-N 1 2 295.343 -1.621 20 0 CAADLO Cc1nn(C)cc1C(=O)N[C@@H]1CC[N@H+](CC(N)=O)C[C@H]1O ZINC001090131964 776198375 /nfs/dbraw/zinc/19/83/75/776198375.db2.gz DJBKRNBJBDMLNO-GHMZBOCLSA-N 1 2 295.343 -1.621 20 0 CAADLO Cc1nn(C)cc1C(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C[C@H]1O ZINC001090131964 776198379 /nfs/dbraw/zinc/19/83/79/776198379.db2.gz DJBKRNBJBDMLNO-GHMZBOCLSA-N 1 2 295.343 -1.621 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cscn2)[C@@H](O)C1 ZINC001090134966 776198431 /nfs/dbraw/zinc/19/84/31/776198431.db2.gz RUQFBDZCZLEIDO-CBAPKCEASA-N 1 2 284.341 -1.207 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)c2cscn2)[C@@H](O)C1 ZINC001090134966 776198433 /nfs/dbraw/zinc/19/84/33/776198433.db2.gz RUQFBDZCZLEIDO-CBAPKCEASA-N 1 2 284.341 -1.207 20 0 CAADLO Cc1[nH]nc(C(=O)N[C@H]2CC[N@H+](CC(N)=O)C[C@H]2O)c1C ZINC001090136530 776201141 /nfs/dbraw/zinc/20/11/41/776201141.db2.gz GBIOALIGYCZDJJ-VHSXEESVSA-N 1 2 295.343 -1.323 20 0 CAADLO Cc1[nH]nc(C(=O)N[C@H]2CC[N@@H+](CC(N)=O)C[C@H]2O)c1C ZINC001090136530 776201146 /nfs/dbraw/zinc/20/11/46/776201146.db2.gz GBIOALIGYCZDJJ-VHSXEESVSA-N 1 2 295.343 -1.323 20 0 CAADLO Cc1[nH]nc(C(=O)N[C@H]2CC[N@H+](CC(N)=O)C[C@@H]2O)c1C ZINC001090136528 776201219 /nfs/dbraw/zinc/20/12/19/776201219.db2.gz GBIOALIGYCZDJJ-UWVGGRQHSA-N 1 2 295.343 -1.323 20 0 CAADLO Cc1[nH]nc(C(=O)N[C@H]2CC[N@@H+](CC(N)=O)C[C@@H]2O)c1C ZINC001090136528 776201225 /nfs/dbraw/zinc/20/12/25/776201225.db2.gz GBIOALIGYCZDJJ-UWVGGRQHSA-N 1 2 295.343 -1.323 20 0 CAADLO Cc1[nH]nc(C(=O)N[C@@H]2CC[N@H+](CC(N)=O)C[C@@H]2O)c1C ZINC001090136532 776201281 /nfs/dbraw/zinc/20/12/81/776201281.db2.gz GBIOALIGYCZDJJ-ZJUUUORDSA-N 1 2 295.343 -1.323 20 0 CAADLO Cc1[nH]nc(C(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C[C@@H]2O)c1C ZINC001090136532 776201283 /nfs/dbraw/zinc/20/12/83/776201283.db2.gz GBIOALIGYCZDJJ-ZJUUUORDSA-N 1 2 295.343 -1.323 20 0 CAADLO CN1C[C@@H](C(=O)NCC[NH2+]Cc2nc(=O)n(C)[nH]2)CC1=O ZINC001128664548 776203576 /nfs/dbraw/zinc/20/35/76/776203576.db2.gz FKILEXFUOABHLJ-QMMMGPOBSA-N 1 2 296.331 -2.208 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ccc(F)nc2)[C@@H](O)C1 ZINC001090138085 776207025 /nfs/dbraw/zinc/20/70/25/776207025.db2.gz RTRCMBNMTNKCHM-ZJUUUORDSA-N 1 2 296.302 -1.129 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)c2ccc(F)nc2)[C@@H](O)C1 ZINC001090138085 776207033 /nfs/dbraw/zinc/20/70/33/776207033.db2.gz RTRCMBNMTNKCHM-ZJUUUORDSA-N 1 2 296.302 -1.129 20 0 CAADLO CN1C[C@@H](C(=O)NCC[NH2+]Cc2cnon2)CC1=O ZINC001128675106 776207492 /nfs/dbraw/zinc/20/74/92/776207492.db2.gz ZJPWRXFURHDDDB-QMMMGPOBSA-N 1 2 267.289 -1.246 20 0 CAADLO Cn1cc(CC(=O)N[C@H]2CC[N@H+](CC(N)=O)C[C@H]2O)cn1 ZINC001090139119 776207736 /nfs/dbraw/zinc/20/77/36/776207736.db2.gz ZNPGIHAYGRVION-WDEREUQCSA-N 1 2 295.343 -2.001 20 0 CAADLO Cn1cc(CC(=O)N[C@H]2CC[N@@H+](CC(N)=O)C[C@H]2O)cn1 ZINC001090139119 776207746 /nfs/dbraw/zinc/20/77/46/776207746.db2.gz ZNPGIHAYGRVION-WDEREUQCSA-N 1 2 295.343 -2.001 20 0 CAADLO COCC(=O)NCCC(=O)NCC[NH2+]Cc1nc(C)no1 ZINC001128685550 776207852 /nfs/dbraw/zinc/20/78/52/776207852.db2.gz BSLHUQMJGSXQHE-UHFFFAOYSA-N 1 2 299.331 -1.263 20 0 CAADLO COCC(=O)NCCC(=O)NCC[NH2+]Cc1cnon1 ZINC001128691957 776209152 /nfs/dbraw/zinc/20/91/52/776209152.db2.gz QSWKYWDTIJQNQQ-UHFFFAOYSA-N 1 2 285.304 -1.572 20 0 CAADLO CC(C)C(=O)N[C@@H]1CC[N@H+](CC(=O)NC(N)=O)C[C@@H]1O ZINC001099671025 776210201 /nfs/dbraw/zinc/21/02/01/776210201.db2.gz AUHUSZOMPABCCZ-BDAKNGLRSA-N 1 2 286.332 -1.611 20 0 CAADLO CC(C)C(=O)N[C@@H]1CC[N@@H+](CC(=O)NC(N)=O)C[C@@H]1O ZINC001099671025 776210206 /nfs/dbraw/zinc/21/02/06/776210206.db2.gz AUHUSZOMPABCCZ-BDAKNGLRSA-N 1 2 286.332 -1.611 20 0 CAADLO O=C(C[C@H]1CCC(=O)N1)N[C@@H]1C[N@@H+](CCF)C[C@@H]1O ZINC001083855877 776210276 /nfs/dbraw/zinc/21/02/76/776210276.db2.gz FODJKMIBJQRZBN-BBBLOLIVSA-N 1 2 273.308 -1.214 20 0 CAADLO O=C(C[C@H]1CCC(=O)N1)N[C@@H]1C[N@H+](CCF)C[C@@H]1O ZINC001083855877 776210282 /nfs/dbraw/zinc/21/02/82/776210282.db2.gz FODJKMIBJQRZBN-BBBLOLIVSA-N 1 2 273.308 -1.214 20 0 CAADLO COCC(=O)N1CCOC[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001061682823 776210377 /nfs/dbraw/zinc/21/03/77/776210377.db2.gz SUTGXEDUCXOOFY-LLVKDONJSA-N 1 2 296.327 -1.127 20 0 CAADLO NC(=O)c1ccc(C(=O)N[C@@H]2C[N@H+](CCO)C[C@@H]2O)s1 ZINC001083858252 776210463 /nfs/dbraw/zinc/21/04/63/776210463.db2.gz UEHWDBOONQSEFF-SFYZADRCSA-N 1 2 299.352 -1.386 20 0 CAADLO NC(=O)c1ccc(C(=O)N[C@@H]2C[N@@H+](CCO)C[C@@H]2O)s1 ZINC001083858252 776210470 /nfs/dbraw/zinc/21/04/70/776210470.db2.gz UEHWDBOONQSEFF-SFYZADRCSA-N 1 2 299.352 -1.386 20 0 CAADLO NC(=O)C(=O)N1CCOC[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001061686299 776210662 /nfs/dbraw/zinc/21/06/62/776210662.db2.gz WYQPGNGLJZSKAT-SECBINFHSA-N 1 2 295.299 -2.288 20 0 CAADLO NC(=O)C(=O)N1CCOC[C@@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001061686300 776211301 /nfs/dbraw/zinc/21/13/01/776211301.db2.gz WYQPGNGLJZSKAT-VIFPVBQESA-N 1 2 295.299 -2.288 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)Cc2ccon2)[C@H](O)C1 ZINC001090148395 776212082 /nfs/dbraw/zinc/21/20/82/776212082.db2.gz IAHKVUNGQKVRNV-VHSXEESVSA-N 1 2 282.300 -1.746 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)Cc2ccon2)[C@H](O)C1 ZINC001090148395 776212085 /nfs/dbraw/zinc/21/20/85/776212085.db2.gz IAHKVUNGQKVRNV-VHSXEESVSA-N 1 2 282.300 -1.746 20 0 CAADLO Cc1ncc(C(=O)N[C@@H]2CC[N@H+](CC(N)=O)C[C@H]2O)[nH]1 ZINC001090150352 776212135 /nfs/dbraw/zinc/21/21/35/776212135.db2.gz OLDCBSPTTGBGGN-PSASIEDQSA-N 1 2 281.316 -1.632 20 0 CAADLO Cc1ncc(C(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C[C@H]2O)[nH]1 ZINC001090150352 776212141 /nfs/dbraw/zinc/21/21/41/776212141.db2.gz OLDCBSPTTGBGGN-PSASIEDQSA-N 1 2 281.316 -1.632 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)CC2CCOCC2)[C@@H](O)C1 ZINC001090148631 776212732 /nfs/dbraw/zinc/21/27/32/776212732.db2.gz BQIYKILCSPEFOQ-RYUDHWBXSA-N 1 2 299.371 -1.160 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)CC2CCOCC2)[C@@H](O)C1 ZINC001090148631 776212737 /nfs/dbraw/zinc/21/27/37/776212737.db2.gz BQIYKILCSPEFOQ-RYUDHWBXSA-N 1 2 299.371 -1.160 20 0 CAADLO CCn1cc(C(=O)N[C@H]2CC[N@H+](CC(N)=O)C[C@@H]2O)cn1 ZINC001090146474 776213038 /nfs/dbraw/zinc/21/30/38/776213038.db2.gz VJKQSCYUVNUXJG-QWRGUYRKSA-N 1 2 295.343 -1.447 20 0 CAADLO CCn1cc(C(=O)N[C@H]2CC[N@@H+](CC(N)=O)C[C@@H]2O)cn1 ZINC001090146474 776213046 /nfs/dbraw/zinc/21/30/46/776213046.db2.gz VJKQSCYUVNUXJG-QWRGUYRKSA-N 1 2 295.343 -1.447 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2ocnc2C)[C@H](O)C1 ZINC001090171227 776214043 /nfs/dbraw/zinc/21/40/43/776214043.db2.gz OHHWQWYSNFJKLN-VHSXEESVSA-N 1 2 296.327 -1.106 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)c2ocnc2C)[C@H](O)C1 ZINC001090171227 776214046 /nfs/dbraw/zinc/21/40/46/776214046.db2.gz OHHWQWYSNFJKLN-VHSXEESVSA-N 1 2 296.327 -1.106 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)Cc2cc[nH]n2)[C@H](O)C1 ZINC001090157237 776214068 /nfs/dbraw/zinc/21/40/68/776214068.db2.gz ZHMNMTBVOWRFAO-WDEREUQCSA-N 1 2 295.343 -1.750 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)Cc2cc[nH]n2)[C@H](O)C1 ZINC001090157237 776214069 /nfs/dbraw/zinc/21/40/69/776214069.db2.gz ZHMNMTBVOWRFAO-WDEREUQCSA-N 1 2 295.343 -1.750 20 0 CAADLO CNC(=O)NCC(=O)NCC[NH2+]Cc1nc(C)no1 ZINC001128789412 776214103 /nfs/dbraw/zinc/21/41/03/776214103.db2.gz FXZIXVNWZPVWTF-UHFFFAOYSA-N 1 2 270.293 -1.487 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cccc(=O)[nH]2)[C@@H](O)C1 ZINC001090169454 776214169 /nfs/dbraw/zinc/21/41/69/776214169.db2.gz HEVQKELQFHYUAC-WPRPVWTQSA-N 1 2 294.311 -1.563 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)c2cccc(=O)[nH]2)[C@@H](O)C1 ZINC001090169454 776214172 /nfs/dbraw/zinc/21/41/72/776214172.db2.gz HEVQKELQFHYUAC-WPRPVWTQSA-N 1 2 294.311 -1.563 20 0 CAADLO Cc1c(C(=O)N[C@@H]2CC[N@H+](CC(N)=O)C[C@H]2O)nnn1C ZINC001090159716 776214635 /nfs/dbraw/zinc/21/46/35/776214635.db2.gz VJBRCROQVZMDMF-RKDXNWHRSA-N 1 2 296.331 -2.226 20 0 CAADLO Cc1c(C(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C[C@H]2O)nnn1C ZINC001090159716 776214639 /nfs/dbraw/zinc/21/46/39/776214639.db2.gz VJBRCROQVZMDMF-RKDXNWHRSA-N 1 2 296.331 -2.226 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ocnc2C)[C@H](O)C1 ZINC001090171225 776214748 /nfs/dbraw/zinc/21/47/48/776214748.db2.gz OHHWQWYSNFJKLN-NXEZZACHSA-N 1 2 296.327 -1.106 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2ocnc2C)[C@H](O)C1 ZINC001090171225 776214754 /nfs/dbraw/zinc/21/47/54/776214754.db2.gz OHHWQWYSNFJKLN-NXEZZACHSA-N 1 2 296.327 -1.106 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cccc(=O)[nH]2)[C@H](O)C1 ZINC001090169453 776214912 /nfs/dbraw/zinc/21/49/12/776214912.db2.gz HEVQKELQFHYUAC-WCBMZHEXSA-N 1 2 294.311 -1.563 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)c2cccc(=O)[nH]2)[C@H](O)C1 ZINC001090169453 776214915 /nfs/dbraw/zinc/21/49/15/776214915.db2.gz HEVQKELQFHYUAC-WCBMZHEXSA-N 1 2 294.311 -1.563 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)Cc2cc[nH]n2)[C@@H](O)C1 ZINC001090157236 776214998 /nfs/dbraw/zinc/21/49/98/776214998.db2.gz ZHMNMTBVOWRFAO-QWRGUYRKSA-N 1 2 295.343 -1.750 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)Cc2cc[nH]n2)[C@@H](O)C1 ZINC001090157236 776215002 /nfs/dbraw/zinc/21/50/02/776215002.db2.gz ZHMNMTBVOWRFAO-QWRGUYRKSA-N 1 2 295.343 -1.750 20 0 CAADLO CNC(=O)NCC(=O)NCC[NH2+]Cc1nncs1 ZINC001128794832 776215623 /nfs/dbraw/zinc/21/56/23/776215623.db2.gz BHTUWOQHJVUDMU-UHFFFAOYSA-N 1 2 272.334 -1.327 20 0 CAADLO Cc1ncoc1C(=O)N[C@@H]1CC[N@H+](CC(N)=O)C[C@H]1O ZINC001090175435 776215666 /nfs/dbraw/zinc/21/56/66/776215666.db2.gz SWUBGDDFEYHIKR-RKDXNWHRSA-N 1 2 282.300 -1.367 20 0 CAADLO Cc1ncoc1C(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C[C@H]1O ZINC001090175435 776215671 /nfs/dbraw/zinc/21/56/71/776215671.db2.gz SWUBGDDFEYHIKR-RKDXNWHRSA-N 1 2 282.300 -1.367 20 0 CAADLO CNC(=O)NCC(=O)NCC[NH2+]Cc1nccc(C)n1 ZINC001128790257 776215714 /nfs/dbraw/zinc/21/57/14/776215714.db2.gz UDHANWKBNSJRDV-UHFFFAOYSA-N 1 2 280.332 -1.080 20 0 CAADLO CNC(=O)NCC(=O)NCC[NH2+]Cc1cnon1 ZINC001128795307 776216397 /nfs/dbraw/zinc/21/63/97/776216397.db2.gz JXXSLRFTBZEKMH-UHFFFAOYSA-N 1 2 256.266 -1.796 20 0 CAADLO CCc1noc(C[NH2+]CCNC(=O)CNC(=O)NC)n1 ZINC001128795492 776217419 /nfs/dbraw/zinc/21/74/19/776217419.db2.gz NODSLVRTHJUFLT-UHFFFAOYSA-N 1 2 284.320 -1.233 20 0 CAADLO Cc1cc(CC(=O)N[C@@H]2CC[N@H+](CC(N)=O)C[C@H]2O)n[nH]1 ZINC001090187081 776218338 /nfs/dbraw/zinc/21/83/38/776218338.db2.gz VLMIYTSYPKXRDW-GHMZBOCLSA-N 1 2 295.343 -1.703 20 0 CAADLO Cc1cc(CC(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C[C@H]2O)n[nH]1 ZINC001090187081 776218347 /nfs/dbraw/zinc/21/83/47/776218347.db2.gz VLMIYTSYPKXRDW-GHMZBOCLSA-N 1 2 295.343 -1.703 20 0 CAADLO Cc1cc(CC(=O)N[C@@H]2CC[N@H+](CC(N)=O)C[C@H]2O)[nH]n1 ZINC001090187081 776218358 /nfs/dbraw/zinc/21/83/58/776218358.db2.gz VLMIYTSYPKXRDW-GHMZBOCLSA-N 1 2 295.343 -1.703 20 0 CAADLO Cc1cc(CC(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C[C@H]2O)[nH]n1 ZINC001090187081 776218366 /nfs/dbraw/zinc/21/83/66/776218366.db2.gz VLMIYTSYPKXRDW-GHMZBOCLSA-N 1 2 295.343 -1.703 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cncc(F)c2)[C@H](O)C1 ZINC001090191283 776218451 /nfs/dbraw/zinc/21/84/51/776218451.db2.gz HXJVZBWZDUYSRP-GHMZBOCLSA-N 1 2 296.302 -1.129 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cncc(F)c2)[C@H](O)C1 ZINC001090191283 776218455 /nfs/dbraw/zinc/21/84/55/776218455.db2.gz HXJVZBWZDUYSRP-GHMZBOCLSA-N 1 2 296.302 -1.129 20 0 CAADLO Cc1cc(CC(=O)N[C@H]2CC[N@H+](CC(N)=O)C[C@@H]2O)n[nH]1 ZINC001090187083 776218789 /nfs/dbraw/zinc/21/87/89/776218789.db2.gz VLMIYTSYPKXRDW-QWRGUYRKSA-N 1 2 295.343 -1.703 20 0 CAADLO Cc1cc(CC(=O)N[C@H]2CC[N@@H+](CC(N)=O)C[C@@H]2O)n[nH]1 ZINC001090187083 776218793 /nfs/dbraw/zinc/21/87/93/776218793.db2.gz VLMIYTSYPKXRDW-QWRGUYRKSA-N 1 2 295.343 -1.703 20 0 CAADLO Cc1cc(CC(=O)N[C@H]2CC[N@H+](CC(N)=O)C[C@@H]2O)[nH]n1 ZINC001090187083 776218800 /nfs/dbraw/zinc/21/88/00/776218800.db2.gz VLMIYTSYPKXRDW-QWRGUYRKSA-N 1 2 295.343 -1.703 20 0 CAADLO Cc1cc(CC(=O)N[C@H]2CC[N@@H+](CC(N)=O)C[C@@H]2O)[nH]n1 ZINC001090187083 776218808 /nfs/dbraw/zinc/21/88/08/776218808.db2.gz VLMIYTSYPKXRDW-QWRGUYRKSA-N 1 2 295.343 -1.703 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cncc(F)c2)[C@@H](O)C1 ZINC001090191285 776218943 /nfs/dbraw/zinc/21/89/43/776218943.db2.gz HXJVZBWZDUYSRP-QWRGUYRKSA-N 1 2 296.302 -1.129 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)c2cncc(F)c2)[C@@H](O)C1 ZINC001090191285 776218947 /nfs/dbraw/zinc/21/89/47/776218947.db2.gz HXJVZBWZDUYSRP-QWRGUYRKSA-N 1 2 296.302 -1.129 20 0 CAADLO Cn1cnc(C(=O)N[C@H]2CC[N@H+](CC(N)=O)C[C@@H]2O)c1 ZINC001090190680 776219004 /nfs/dbraw/zinc/21/90/04/776219004.db2.gz ZFXSORARMQRCEZ-WPRPVWTQSA-N 1 2 281.316 -1.930 20 0 CAADLO Cn1cnc(C(=O)N[C@H]2CC[N@@H+](CC(N)=O)C[C@@H]2O)c1 ZINC001090190680 776219010 /nfs/dbraw/zinc/21/90/10/776219010.db2.gz ZFXSORARMQRCEZ-WPRPVWTQSA-N 1 2 281.316 -1.930 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cncc(F)c2)[C@H](O)C1 ZINC001090191286 776219285 /nfs/dbraw/zinc/21/92/85/776219285.db2.gz HXJVZBWZDUYSRP-WDEREUQCSA-N 1 2 296.302 -1.129 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)c2cncc(F)c2)[C@H](O)C1 ZINC001090191286 776219287 /nfs/dbraw/zinc/21/92/87/776219287.db2.gz HXJVZBWZDUYSRP-WDEREUQCSA-N 1 2 296.302 -1.129 20 0 CAADLO Cn1cnc(C(=O)N[C@H]2CC[N@H+](CC(N)=O)C[C@H]2O)c1 ZINC001090190679 776219344 /nfs/dbraw/zinc/21/93/44/776219344.db2.gz ZFXSORARMQRCEZ-WCBMZHEXSA-N 1 2 281.316 -1.930 20 0 CAADLO Cn1cnc(C(=O)N[C@H]2CC[N@@H+](CC(N)=O)C[C@H]2O)c1 ZINC001090190679 776219349 /nfs/dbraw/zinc/21/93/49/776219349.db2.gz ZFXSORARMQRCEZ-WCBMZHEXSA-N 1 2 281.316 -1.930 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ccn(C)c2)[C@H](O)C1 ZINC001090190668 776219744 /nfs/dbraw/zinc/21/97/44/776219744.db2.gz ZERGHEMBQMPQKP-VXGBXAGGSA-N 1 2 294.355 -1.064 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2ccn(C)c2)[C@H](O)C1 ZINC001090190668 776219749 /nfs/dbraw/zinc/21/97/49/776219749.db2.gz ZERGHEMBQMPQKP-VXGBXAGGSA-N 1 2 294.355 -1.064 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cn(C)cn2)[C@@H](O)C1 ZINC001090189202 776219856 /nfs/dbraw/zinc/21/98/56/776219856.db2.gz IUWIODSIWSRGMO-KOLCDFICSA-N 1 2 295.343 -1.669 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cn(C)cn2)[C@@H](O)C1 ZINC001090189202 776219861 /nfs/dbraw/zinc/21/98/61/776219861.db2.gz IUWIODSIWSRGMO-KOLCDFICSA-N 1 2 295.343 -1.669 20 0 CAADLO Cn1ccc(C(=O)N[C@@H]2CC[N@H+](CC(N)=O)C[C@@H]2O)c1 ZINC001090195650 776220482 /nfs/dbraw/zinc/22/04/82/776220482.db2.gz WQMFSFLARCYTNU-MNOVXSKESA-N 1 2 280.328 -1.325 20 0 CAADLO Cn1ccc(C(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C[C@@H]2O)c1 ZINC001090195650 776220484 /nfs/dbraw/zinc/22/04/84/776220484.db2.gz WQMFSFLARCYTNU-MNOVXSKESA-N 1 2 280.328 -1.325 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)CN2CN=NC2=O)[C@@H](O)C1 ZINC001090198113 776220674 /nfs/dbraw/zinc/22/06/74/776220674.db2.gz UTCQPWBLMULLFR-SFYZADRCSA-N 1 2 298.303 -2.980 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)CN2CN=NC2=O)[C@@H](O)C1 ZINC001090198113 776220678 /nfs/dbraw/zinc/22/06/78/776220678.db2.gz UTCQPWBLMULLFR-SFYZADRCSA-N 1 2 298.303 -2.980 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)Cc2cccnc2)[C@@H](O)C1 ZINC001090196959 776221216 /nfs/dbraw/zinc/22/12/16/776221216.db2.gz ICSUNWLLKGIYFZ-RYUDHWBXSA-N 1 2 292.339 -1.339 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)Cc2cccnc2)[C@@H](O)C1 ZINC001090196959 776221222 /nfs/dbraw/zinc/22/12/22/776221222.db2.gz ICSUNWLLKGIYFZ-RYUDHWBXSA-N 1 2 292.339 -1.339 20 0 CAADLO Cn1ccc(C(=O)N[C@@H]2CC[N@H+](CC(N)=O)C[C@H]2O)c1 ZINC001090195649 776221844 /nfs/dbraw/zinc/22/18/44/776221844.db2.gz WQMFSFLARCYTNU-GHMZBOCLSA-N 1 2 280.328 -1.325 20 0 CAADLO Cn1ccc(C(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C[C@H]2O)c1 ZINC001090195649 776221847 /nfs/dbraw/zinc/22/18/47/776221847.db2.gz WQMFSFLARCYTNU-GHMZBOCLSA-N 1 2 280.328 -1.325 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ccc(F)cn2)[C@H](O)C1 ZINC001090210230 776224535 /nfs/dbraw/zinc/22/45/35/776224535.db2.gz MAJKUMGAKIIVLB-MWLCHTKSSA-N 1 2 296.302 -1.129 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)c2ccc(F)cn2)[C@H](O)C1 ZINC001090210230 776224544 /nfs/dbraw/zinc/22/45/44/776224544.db2.gz MAJKUMGAKIIVLB-MWLCHTKSSA-N 1 2 296.302 -1.129 20 0 CAADLO CCc1nc(C(=O)N[C@H]2CC[N@H+](CC(N)=O)C[C@H]2O)co1 ZINC001090208368 776224903 /nfs/dbraw/zinc/22/49/03/776224903.db2.gz CBMQHOZSDNCPMA-WCBMZHEXSA-N 1 2 296.327 -1.113 20 0 CAADLO CCc1nc(C(=O)N[C@H]2CC[N@@H+](CC(N)=O)C[C@H]2O)co1 ZINC001090208368 776224909 /nfs/dbraw/zinc/22/49/09/776224909.db2.gz CBMQHOZSDNCPMA-WCBMZHEXSA-N 1 2 296.327 -1.113 20 0 CAADLO CCc1nc(C(=O)N[C@@H]2CC[N@H+](CC(N)=O)C[C@H]2O)co1 ZINC001090208364 776225183 /nfs/dbraw/zinc/22/51/83/776225183.db2.gz CBMQHOZSDNCPMA-PSASIEDQSA-N 1 2 296.327 -1.113 20 0 CAADLO CCc1nc(C(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C[C@H]2O)co1 ZINC001090208364 776225188 /nfs/dbraw/zinc/22/51/88/776225188.db2.gz CBMQHOZSDNCPMA-PSASIEDQSA-N 1 2 296.327 -1.113 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)c2ccc(F)cn2)[C@H](O)C1 ZINC001090210228 776225348 /nfs/dbraw/zinc/22/53/48/776225348.db2.gz MAJKUMGAKIIVLB-GXSJLCMTSA-N 1 2 296.302 -1.129 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)c2ccc(F)cn2)[C@H](O)C1 ZINC001090210228 776225352 /nfs/dbraw/zinc/22/53/52/776225352.db2.gz MAJKUMGAKIIVLB-GXSJLCMTSA-N 1 2 296.302 -1.129 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cncnc2)[C@H](O)C1 ZINC001090208836 776225490 /nfs/dbraw/zinc/22/54/90/776225490.db2.gz FQJZOJUELVAEDN-VHSXEESVSA-N 1 2 279.300 -1.873 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)c2cncnc2)[C@H](O)C1 ZINC001090208836 776225495 /nfs/dbraw/zinc/22/54/95/776225495.db2.gz FQJZOJUELVAEDN-VHSXEESVSA-N 1 2 279.300 -1.873 20 0 CAADLO Cc1nc(C(=O)N[C@H]2CC[N@H+](CC(N)=O)C[C@H]2O)co1 ZINC001090207711 776225568 /nfs/dbraw/zinc/22/55/68/776225568.db2.gz XSRSSCFKKJYTTD-WCBMZHEXSA-N 1 2 282.300 -1.367 20 0 CAADLO Cc1nc(C(=O)N[C@H]2CC[N@@H+](CC(N)=O)C[C@H]2O)co1 ZINC001090207711 776225574 /nfs/dbraw/zinc/22/55/74/776225574.db2.gz XSRSSCFKKJYTTD-WCBMZHEXSA-N 1 2 282.300 -1.367 20 0 CAADLO Cc1nc(C(=O)N[C@@H]2CC[N@H+](CC(N)=O)C[C@H]2O)co1 ZINC001090207707 776225893 /nfs/dbraw/zinc/22/58/93/776225893.db2.gz XSRSSCFKKJYTTD-PSASIEDQSA-N 1 2 282.300 -1.367 20 0 CAADLO Cc1nc(C(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C[C@H]2O)co1 ZINC001090207707 776225896 /nfs/dbraw/zinc/22/58/96/776225896.db2.gz XSRSSCFKKJYTTD-PSASIEDQSA-N 1 2 282.300 -1.367 20 0 CAADLO Cn1ncc(C(=O)N[C@@H]2CC[N@H+](CC(N)=O)C[C@H]2O)c1N ZINC001090215651 776226576 /nfs/dbraw/zinc/22/65/76/776226576.db2.gz HVHBFPKEXNRKOX-RKDXNWHRSA-N 1 2 296.331 -2.347 20 0 CAADLO Cn1ncc(C(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C[C@H]2O)c1N ZINC001090215651 776226584 /nfs/dbraw/zinc/22/65/84/776226584.db2.gz HVHBFPKEXNRKOX-RKDXNWHRSA-N 1 2 296.331 -2.347 20 0 CAADLO CCn1nccc1C(=O)N[C@H]1CC[N@H+](CC(N)=O)C[C@H]1O ZINC001090219735 776226780 /nfs/dbraw/zinc/22/67/80/776226780.db2.gz WBCAFMMGOBUVHY-GXSJLCMTSA-N 1 2 295.343 -1.447 20 0 CAADLO CCn1nccc1C(=O)N[C@H]1CC[N@@H+](CC(N)=O)C[C@H]1O ZINC001090219735 776226783 /nfs/dbraw/zinc/22/67/83/776226783.db2.gz WBCAFMMGOBUVHY-GXSJLCMTSA-N 1 2 295.343 -1.447 20 0 CAADLO CCn1nccc1C(=O)N[C@@H]1CC[N@H+](CC(N)=O)C[C@@H]1O ZINC001090219736 776226837 /nfs/dbraw/zinc/22/68/37/776226837.db2.gz WBCAFMMGOBUVHY-KOLCDFICSA-N 1 2 295.343 -1.447 20 0 CAADLO CCn1nccc1C(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C[C@@H]1O ZINC001090219736 776226841 /nfs/dbraw/zinc/22/68/41/776226841.db2.gz WBCAFMMGOBUVHY-KOLCDFICSA-N 1 2 295.343 -1.447 20 0 CAADLO CC(=O)N1CC(C(=O)N[C@H]2CC[N@H+](CC(N)=O)C[C@@H]2O)C1 ZINC001090217491 776227188 /nfs/dbraw/zinc/22/71/88/776227188.db2.gz BURKVAUKHDYKIK-QWRGUYRKSA-N 1 2 298.343 -2.499 20 0 CAADLO CC(=O)N1CC(C(=O)N[C@H]2CC[N@@H+](CC(N)=O)C[C@@H]2O)C1 ZINC001090217491 776227196 /nfs/dbraw/zinc/22/71/96/776227196.db2.gz BURKVAUKHDYKIK-QWRGUYRKSA-N 1 2 298.343 -2.499 20 0 CAADLO Cn1ncc(C(=O)N[C@H]2CC[N@H+](CC(N)=O)C[C@H]2O)c1N ZINC001090215649 776227238 /nfs/dbraw/zinc/22/72/38/776227238.db2.gz HVHBFPKEXNRKOX-DTWKUNHWSA-N 1 2 296.331 -2.347 20 0 CAADLO Cn1ncc(C(=O)N[C@H]2CC[N@@H+](CC(N)=O)C[C@H]2O)c1N ZINC001090215649 776227243 /nfs/dbraw/zinc/22/72/43/776227243.db2.gz HVHBFPKEXNRKOX-DTWKUNHWSA-N 1 2 296.331 -2.347 20 0 CAADLO CC(=O)N1CC(C(=O)N[C@@H]2CC[N@H+](CC(N)=O)C[C@H]2O)C1 ZINC001090217487 776227366 /nfs/dbraw/zinc/22/73/66/776227366.db2.gz BURKVAUKHDYKIK-GHMZBOCLSA-N 1 2 298.343 -2.499 20 0 CAADLO CC(=O)N1CC(C(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C[C@H]2O)C1 ZINC001090217487 776227373 /nfs/dbraw/zinc/22/73/73/776227373.db2.gz BURKVAUKHDYKIK-GHMZBOCLSA-N 1 2 298.343 -2.499 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)Cc2ccoc2)[C@H](O)C1 ZINC001090213605 776227569 /nfs/dbraw/zinc/22/75/69/776227569.db2.gz NBQYHOVZNCYFGB-WDEREUQCSA-N 1 2 281.312 -1.141 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)Cc2ccoc2)[C@H](O)C1 ZINC001090213605 776227577 /nfs/dbraw/zinc/22/75/77/776227577.db2.gz NBQYHOVZNCYFGB-WDEREUQCSA-N 1 2 281.312 -1.141 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cncnc2)[C@H](O)C1 ZINC001090216531 776227877 /nfs/dbraw/zinc/22/78/77/776227877.db2.gz NIWUHTHESPBBKD-WDEREUQCSA-N 1 2 293.327 -1.612 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cncnc2)[C@H](O)C1 ZINC001090216531 776227881 /nfs/dbraw/zinc/22/78/81/776227881.db2.gz NIWUHTHESPBBKD-WDEREUQCSA-N 1 2 293.327 -1.612 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cn(C)nn2)[C@@H](O)C1 ZINC001090225117 776228528 /nfs/dbraw/zinc/22/85/28/776228528.db2.gz LMNJOMOJMRJCJO-SCZZXKLOSA-N 1 2 296.331 -2.274 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cn(C)nn2)[C@@H](O)C1 ZINC001090225117 776228532 /nfs/dbraw/zinc/22/85/32/776228532.db2.gz LMNJOMOJMRJCJO-SCZZXKLOSA-N 1 2 296.331 -2.274 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cn(C)nn2)[C@H](O)C1 ZINC001090225118 776228541 /nfs/dbraw/zinc/22/85/41/776228541.db2.gz LMNJOMOJMRJCJO-WCBMZHEXSA-N 1 2 296.331 -2.274 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cn(C)nn2)[C@H](O)C1 ZINC001090225118 776228544 /nfs/dbraw/zinc/22/85/44/776228544.db2.gz LMNJOMOJMRJCJO-WCBMZHEXSA-N 1 2 296.331 -2.274 20 0 CAADLO Cc1cc(C(=O)N[C@@H]2CC[N@H+](CC(N)=O)C[C@H]2O)cnn1 ZINC001090221551 776228628 /nfs/dbraw/zinc/22/86/28/776228628.db2.gz MRVLADGLPSBXNH-GHMZBOCLSA-N 1 2 293.327 -1.565 20 0 CAADLO Cc1cc(C(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C[C@H]2O)cnn1 ZINC001090221551 776228633 /nfs/dbraw/zinc/22/86/33/776228633.db2.gz MRVLADGLPSBXNH-GHMZBOCLSA-N 1 2 293.327 -1.565 20 0 CAADLO Cc1cc(C(=O)N[C@@H]2CC[N@H+](CC(N)=O)C[C@@H]2O)cnn1 ZINC001090221552 776229291 /nfs/dbraw/zinc/22/92/91/776229291.db2.gz MRVLADGLPSBXNH-MNOVXSKESA-N 1 2 293.327 -1.565 20 0 CAADLO Cc1cc(C(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C[C@@H]2O)cnn1 ZINC001090221552 776229298 /nfs/dbraw/zinc/22/92/98/776229298.db2.gz MRVLADGLPSBXNH-MNOVXSKESA-N 1 2 293.327 -1.565 20 0 CAADLO Cn1oc(C(=O)N[C@H]2CC[N@H+](CC(N)=O)C[C@@H]2O)cc1=O ZINC001090226383 776230455 /nfs/dbraw/zinc/23/04/55/776230455.db2.gz UZMFLGDWSIYTJB-YUMQZZPRSA-N 1 2 298.299 -2.371 20 0 CAADLO Cn1oc(C(=O)N[C@H]2CC[N@@H+](CC(N)=O)C[C@@H]2O)cc1=O ZINC001090226383 776230461 /nfs/dbraw/zinc/23/04/61/776230461.db2.gz UZMFLGDWSIYTJB-YUMQZZPRSA-N 1 2 298.299 -2.371 20 0 CAADLO Cc1ccnc(C(=O)N[C@@H]2CC[N@H+](CC(N)=O)C[C@H]2O)n1 ZINC001090229885 776230543 /nfs/dbraw/zinc/23/05/43/776230543.db2.gz FOKVQRFPBCEIPG-NXEZZACHSA-N 1 2 293.327 -1.565 20 0 CAADLO Cc1ccnc(C(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C[C@H]2O)n1 ZINC001090229885 776230548 /nfs/dbraw/zinc/23/05/48/776230548.db2.gz FOKVQRFPBCEIPG-NXEZZACHSA-N 1 2 293.327 -1.565 20 0 CAADLO Cc1ccnc(C(=O)N[C@@H]2CC[N@H+](CC(N)=O)C[C@@H]2O)n1 ZINC001090229892 776230716 /nfs/dbraw/zinc/23/07/16/776230716.db2.gz FOKVQRFPBCEIPG-ZJUUUORDSA-N 1 2 293.327 -1.565 20 0 CAADLO Cc1ccnc(C(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C[C@@H]2O)n1 ZINC001090229892 776230722 /nfs/dbraw/zinc/23/07/22/776230722.db2.gz FOKVQRFPBCEIPG-ZJUUUORDSA-N 1 2 293.327 -1.565 20 0 CAADLO Cc1ccnc(C(=O)N[C@H]2CC[N@H+](CC(N)=O)C[C@H]2O)n1 ZINC001090229889 776230880 /nfs/dbraw/zinc/23/08/80/776230880.db2.gz FOKVQRFPBCEIPG-VHSXEESVSA-N 1 2 293.327 -1.565 20 0 CAADLO Cc1ccnc(C(=O)N[C@H]2CC[N@@H+](CC(N)=O)C[C@H]2O)n1 ZINC001090229889 776230885 /nfs/dbraw/zinc/23/08/85/776230885.db2.gz FOKVQRFPBCEIPG-VHSXEESVSA-N 1 2 293.327 -1.565 20 0 CAADLO Cn1cc(C(=O)N[C@@H]2CC[N@H+](CC(N)=O)C[C@@H]2O)nn1 ZINC001090227744 776231750 /nfs/dbraw/zinc/23/17/50/776231750.db2.gz NWUCHANFNZHIPN-APPZFPTMSA-N 1 2 282.304 -2.535 20 0 CAADLO Cn1cc(C(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C[C@@H]2O)nn1 ZINC001090227744 776231754 /nfs/dbraw/zinc/23/17/54/776231754.db2.gz NWUCHANFNZHIPN-APPZFPTMSA-N 1 2 282.304 -2.535 20 0 CAADLO COCC[N@@H+]1CCO[C@](C)(CNC(=O)c2nnn(C)n2)C1 ZINC001108136649 776232209 /nfs/dbraw/zinc/23/22/09/776232209.db2.gz VAAUIDBQBJFOLZ-GFCCVEGCSA-N 1 2 298.347 -1.323 20 0 CAADLO COCC[N@H+]1CCO[C@](C)(CNC(=O)c2nnn(C)n2)C1 ZINC001108136649 776232213 /nfs/dbraw/zinc/23/22/13/776232213.db2.gz VAAUIDBQBJFOLZ-GFCCVEGCSA-N 1 2 298.347 -1.323 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)CCn2cncn2)[C@H](O)C1 ZINC001099677954 776232876 /nfs/dbraw/zinc/23/28/76/776232876.db2.gz DCERUQRYXNJTAZ-VHSXEESVSA-N 1 2 296.331 -2.295 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)CCn2cncn2)[C@H](O)C1 ZINC001099677954 776232881 /nfs/dbraw/zinc/23/28/81/776232881.db2.gz DCERUQRYXNJTAZ-VHSXEESVSA-N 1 2 296.331 -2.295 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cc2cncnc2)[C@@H](O)C1 ZINC001090232220 776232933 /nfs/dbraw/zinc/23/29/33/776232933.db2.gz UGLHXSCYOYMXKQ-MNOVXSKESA-N 1 2 293.327 -1.944 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)Cc2cncnc2)[C@@H](O)C1 ZINC001090232220 776232940 /nfs/dbraw/zinc/23/29/40/776232940.db2.gz UGLHXSCYOYMXKQ-MNOVXSKESA-N 1 2 293.327 -1.944 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)Cc2cncnc2)[C@@H](O)C1 ZINC001090232221 776233019 /nfs/dbraw/zinc/23/30/19/776233019.db2.gz UGLHXSCYOYMXKQ-QWRGUYRKSA-N 1 2 293.327 -1.944 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)Cc2cncnc2)[C@@H](O)C1 ZINC001090232221 776233024 /nfs/dbraw/zinc/23/30/24/776233024.db2.gz UGLHXSCYOYMXKQ-QWRGUYRKSA-N 1 2 293.327 -1.944 20 0 CAADLO Cn1cc(C(=O)N[C@H]2CC[N@H+](CC(N)=O)C[C@@H]2O)nn1 ZINC001090227745 776233048 /nfs/dbraw/zinc/23/30/48/776233048.db2.gz NWUCHANFNZHIPN-CBAPKCEASA-N 1 2 282.304 -2.535 20 0 CAADLO Cn1cc(C(=O)N[C@H]2CC[N@@H+](CC(N)=O)C[C@@H]2O)nn1 ZINC001090227745 776233055 /nfs/dbraw/zinc/23/30/55/776233055.db2.gz NWUCHANFNZHIPN-CBAPKCEASA-N 1 2 282.304 -2.535 20 0 CAADLO Cc1cc[nH]c1C(=O)N[C@@H]1CC[N@H+](CC(N)=O)C[C@H]1O ZINC001090238373 776234169 /nfs/dbraw/zinc/23/41/69/776234169.db2.gz XTBCIGGBWFTHKG-NXEZZACHSA-N 1 2 280.328 -1.027 20 0 CAADLO Cc1cc[nH]c1C(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C[C@H]1O ZINC001090238373 776234173 /nfs/dbraw/zinc/23/41/73/776234173.db2.gz XTBCIGGBWFTHKG-NXEZZACHSA-N 1 2 280.328 -1.027 20 0 CAADLO Cc1nnc(CC(=O)N[C@H]2CC[N@H+](CC(N)=O)C[C@@H]2O)o1 ZINC001090240321 776234303 /nfs/dbraw/zinc/23/43/03/776234303.db2.gz INDRPAUVJXPOLP-IUCAKERBSA-N 1 2 297.315 -2.043 20 0 CAADLO Cc1nnc(CC(=O)N[C@H]2CC[N@@H+](CC(N)=O)C[C@@H]2O)o1 ZINC001090240321 776234308 /nfs/dbraw/zinc/23/43/08/776234308.db2.gz INDRPAUVJXPOLP-IUCAKERBSA-N 1 2 297.315 -2.043 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cnnn2C)[C@H](O)C1 ZINC001090237279 776234580 /nfs/dbraw/zinc/23/45/80/776234580.db2.gz MVUSMAIBIGTPQE-WCBMZHEXSA-N 1 2 296.331 -2.274 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cnnn2C)[C@H](O)C1 ZINC001090237279 776234583 /nfs/dbraw/zinc/23/45/83/776234583.db2.gz MVUSMAIBIGTPQE-WCBMZHEXSA-N 1 2 296.331 -2.274 20 0 CAADLO Cc1cc[nH]c1C(=O)N[C@H]1CC[N@H+](CC(N)=O)C[C@@H]1O ZINC001090238374 776234988 /nfs/dbraw/zinc/23/49/88/776234988.db2.gz XTBCIGGBWFTHKG-UWVGGRQHSA-N 1 2 280.328 -1.027 20 0 CAADLO Cc1cc[nH]c1C(=O)N[C@H]1CC[N@@H+](CC(N)=O)C[C@@H]1O ZINC001090238374 776234994 /nfs/dbraw/zinc/23/49/94/776234994.db2.gz XTBCIGGBWFTHKG-UWVGGRQHSA-N 1 2 280.328 -1.027 20 0 CAADLO Cn1cc(C(=O)N[C@@H]2CC[N@H+](CCF)C[C@@H]2O)nn1 ZINC001090242263 776235838 /nfs/dbraw/zinc/23/58/38/776235838.db2.gz WXXGOIBSDDVYGI-SCZZXKLOSA-N 1 2 271.296 -1.050 20 0 CAADLO Cn1cc(C(=O)N[C@@H]2CC[N@@H+](CCF)C[C@@H]2O)nn1 ZINC001090242263 776235839 /nfs/dbraw/zinc/23/58/39/776235839.db2.gz WXXGOIBSDDVYGI-SCZZXKLOSA-N 1 2 271.296 -1.050 20 0 CAADLO Cn1cnc(C(=O)N[C@@H]2CC[N@H+](CCF)C[C@@H]2O)n1 ZINC001090247527 776235945 /nfs/dbraw/zinc/23/59/45/776235945.db2.gz XAHUHXDHTAAENO-BDAKNGLRSA-N 1 2 271.296 -1.050 20 0 CAADLO Cn1cnc(C(=O)N[C@@H]2CC[N@@H+](CCF)C[C@@H]2O)n1 ZINC001090247527 776235950 /nfs/dbraw/zinc/23/59/50/776235950.db2.gz XAHUHXDHTAAENO-BDAKNGLRSA-N 1 2 271.296 -1.050 20 0 CAADLO Cn1cnc(C(=O)N[C@@H]2CC[N@H+](CC(N)=O)C[C@@H]2O)n1 ZINC001090246841 776236154 /nfs/dbraw/zinc/23/61/54/776236154.db2.gz OMWBHIZLZUZGOA-SFYZADRCSA-N 1 2 282.304 -2.535 20 0 CAADLO Cn1cnc(C(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C[C@@H]2O)n1 ZINC001090246841 776236160 /nfs/dbraw/zinc/23/61/60/776236160.db2.gz OMWBHIZLZUZGOA-SFYZADRCSA-N 1 2 282.304 -2.535 20 0 CAADLO CCn1ncc(C(=O)N[C@@H]2CC[N@H+](CC(N)=O)C[C@H]2O)n1 ZINC001090245057 776236294 /nfs/dbraw/zinc/23/62/94/776236294.db2.gz YIUQAJNZLABFKR-PSASIEDQSA-N 1 2 296.331 -2.052 20 0 CAADLO CCn1ncc(C(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C[C@H]2O)n1 ZINC001090245057 776236303 /nfs/dbraw/zinc/23/63/03/776236303.db2.gz YIUQAJNZLABFKR-PSASIEDQSA-N 1 2 296.331 -2.052 20 0 CAADLO CN1C(=O)Cc2c1ncnc2-n1[nH]c(=O)nc1C[NH3+] ZINC001168756572 776236550 /nfs/dbraw/zinc/23/65/50/776236550.db2.gz RJWGINLGFZMEDU-UHFFFAOYSA-N 1 2 261.245 -1.260 20 0 CAADLO Cn1cnc(C(=O)N[C@H]2CC[N@H+](CCF)C[C@H]2O)n1 ZINC001090247528 776236739 /nfs/dbraw/zinc/23/67/39/776236739.db2.gz XAHUHXDHTAAENO-DTWKUNHWSA-N 1 2 271.296 -1.050 20 0 CAADLO Cn1cnc(C(=O)N[C@H]2CC[N@@H+](CCF)C[C@H]2O)n1 ZINC001090247528 776236744 /nfs/dbraw/zinc/23/67/44/776236744.db2.gz XAHUHXDHTAAENO-DTWKUNHWSA-N 1 2 271.296 -1.050 20 0 CAADLO CCn1ncc(C(=O)N[C@H]2CC[N@H+](CC(N)=O)C[C@H]2O)n1 ZINC001090245059 776236775 /nfs/dbraw/zinc/23/67/75/776236775.db2.gz YIUQAJNZLABFKR-WCBMZHEXSA-N 1 2 296.331 -2.052 20 0 CAADLO CCn1ncc(C(=O)N[C@H]2CC[N@@H+](CC(N)=O)C[C@H]2O)n1 ZINC001090245059 776236784 /nfs/dbraw/zinc/23/67/84/776236784.db2.gz YIUQAJNZLABFKR-WCBMZHEXSA-N 1 2 296.331 -2.052 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ncc[nH]2)[C@@H](O)C1 ZINC001090250063 776238087 /nfs/dbraw/zinc/23/80/87/776238087.db2.gz VUYULVVGAOOTKJ-BDAKNGLRSA-N 1 2 281.316 -1.679 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2ncc[nH]2)[C@@H](O)C1 ZINC001090250063 776238096 /nfs/dbraw/zinc/23/80/96/776238096.db2.gz VUYULVVGAOOTKJ-BDAKNGLRSA-N 1 2 281.316 -1.679 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2ncc[nH]2)[C@H](O)C1 ZINC001090250065 776238141 /nfs/dbraw/zinc/23/81/41/776238141.db2.gz VUYULVVGAOOTKJ-DTWKUNHWSA-N 1 2 281.316 -1.679 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)c2ncc[nH]2)[C@H](O)C1 ZINC001090250065 776238146 /nfs/dbraw/zinc/23/81/46/776238146.db2.gz VUYULVVGAOOTKJ-DTWKUNHWSA-N 1 2 281.316 -1.679 20 0 CAADLO Cc1nnc(CC(=O)N[C@H]2CC[N@H+](CC(N)=O)C[C@H]2O)[nH]1 ZINC001090255622 776238778 /nfs/dbraw/zinc/23/87/78/776238778.db2.gz GNVOKCCBZAVJEM-DTWKUNHWSA-N 1 2 296.331 -2.308 20 0 CAADLO Cc1nnc(CC(=O)N[C@H]2CC[N@@H+](CC(N)=O)C[C@H]2O)[nH]1 ZINC001090255622 776238781 /nfs/dbraw/zinc/23/87/81/776238781.db2.gz GNVOKCCBZAVJEM-DTWKUNHWSA-N 1 2 296.331 -2.308 20 0 CAADLO COCC(=O)N1CCOC[C@@H]1CNC(=O)Cc1[nH]cc[nH+]1 ZINC001061815971 776238840 /nfs/dbraw/zinc/23/88/40/776238840.db2.gz GXCUOJURSKRFER-JTQLQIEISA-N 1 2 296.327 -1.058 20 0 CAADLO NC(=O)C(=O)NC[C@H]1COCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001061841370 776240290 /nfs/dbraw/zinc/24/02/90/776240290.db2.gz ZBRQALZHYYYPSI-QMMMGPOBSA-N 1 2 295.299 -2.219 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)CCn2cccn2)[C@@H](O)C1 ZINC001099684112 776245715 /nfs/dbraw/zinc/24/57/15/776245715.db2.gz NCAVNLTUDAOIPZ-QWRGUYRKSA-N 1 2 295.343 -1.690 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)CCn2cccn2)[C@@H](O)C1 ZINC001099684112 776245722 /nfs/dbraw/zinc/24/57/22/776245722.db2.gz NCAVNLTUDAOIPZ-QWRGUYRKSA-N 1 2 295.343 -1.690 20 0 CAADLO NC(=O)C(=O)N1CCOC[C@H]1CNC(=O)Cc1c[nH]c[nH+]1 ZINC001061931505 776246394 /nfs/dbraw/zinc/24/63/94/776246394.db2.gz JKBPJOAZGMASHB-SECBINFHSA-N 1 2 295.299 -2.219 20 0 CAADLO COC(=O)Cc1ncc(-n2[nH]c(=O)nc2C[NH3+])cn1 ZINC001168761244 776248292 /nfs/dbraw/zinc/24/82/92/776248292.db2.gz NQRHCKQAHVXFFL-UHFFFAOYSA-N 1 2 264.245 -1.063 20 0 CAADLO NC(=O)C(=O)NC[C@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001062325511 776251390 /nfs/dbraw/zinc/25/13/90/776251390.db2.gz PKIOKXDIJHQDOV-SECBINFHSA-N 1 2 293.327 -1.065 20 0 CAADLO [NH3+]Cc1nc(=O)[nH]n1-c1ccc(-n2cnnn2)nc1 ZINC001168761845 776253079 /nfs/dbraw/zinc/25/30/79/776253079.db2.gz XFSZLIRSOIZLBW-UHFFFAOYSA-N 1 2 259.233 -1.198 20 0 CAADLO Cc1ccc(C(=O)N[C@@H]2CC[N@H+](CC(N)=O)C[C@@H]2O)nn1 ZINC001090259315 776253932 /nfs/dbraw/zinc/25/39/32/776253932.db2.gz TXDDAMIWNTYOIY-KOLCDFICSA-N 1 2 293.327 -1.565 20 0 CAADLO Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C[C@@H]2O)nn1 ZINC001090259315 776253935 /nfs/dbraw/zinc/25/39/35/776253935.db2.gz TXDDAMIWNTYOIY-KOLCDFICSA-N 1 2 293.327 -1.565 20 0 CAADLO Cc1cn(C)nc1C(=O)N[C@@H]1CC[N@H+](CC(N)=O)C[C@H]1O ZINC001090260598 776254272 /nfs/dbraw/zinc/25/42/72/776254272.db2.gz IHEBATYAFUIWSB-NXEZZACHSA-N 1 2 295.343 -1.621 20 0 CAADLO Cc1cn(C)nc1C(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C[C@H]1O ZINC001090260598 776254279 /nfs/dbraw/zinc/25/42/79/776254279.db2.gz IHEBATYAFUIWSB-NXEZZACHSA-N 1 2 295.343 -1.621 20 0 CAADLO Cn1ccc(CC(=O)N[C@@H]2CC[N@H+](CC(N)=O)C[C@H]2O)n1 ZINC001090260648 776254554 /nfs/dbraw/zinc/25/45/54/776254554.db2.gz IWGXJDOMKLSRNM-GHMZBOCLSA-N 1 2 295.343 -2.001 20 0 CAADLO Cn1ccc(CC(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C[C@H]2O)n1 ZINC001090260648 776254565 /nfs/dbraw/zinc/25/45/65/776254565.db2.gz IWGXJDOMKLSRNM-GHMZBOCLSA-N 1 2 295.343 -2.001 20 0 CAADLO Cc1ccc(C(=O)N[C@@H]2CC[N@H+](CC(N)=O)C[C@H]2O)nn1 ZINC001090259317 776254785 /nfs/dbraw/zinc/25/47/85/776254785.db2.gz TXDDAMIWNTYOIY-MWLCHTKSSA-N 1 2 293.327 -1.565 20 0 CAADLO Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C[C@H]2O)nn1 ZINC001090259317 776254792 /nfs/dbraw/zinc/25/47/92/776254792.db2.gz TXDDAMIWNTYOIY-MWLCHTKSSA-N 1 2 293.327 -1.565 20 0 CAADLO O=C(N[C@@H](CO)Cc1c[nH]c[nH+]1)[C@@H]1CNC(=O)C1 ZINC001143299070 776255595 /nfs/dbraw/zinc/25/55/95/776255595.db2.gz GHOGYYWHCNZZMC-IONNQARKSA-N 1 2 252.274 -1.435 20 0 CAADLO O=C(N[C@@H](CO)Cc1c[nH+]c[nH]1)[C@@H]1CNC(=O)C1 ZINC001143299070 776255601 /nfs/dbraw/zinc/25/56/01/776255601.db2.gz GHOGYYWHCNZZMC-IONNQARKSA-N 1 2 252.274 -1.435 20 0 CAADLO COCC[N@H+]1C[C@@H](NC(=O)c2ncn[nH]2)[C@@H](O)C1 ZINC001083873665 776255685 /nfs/dbraw/zinc/25/56/85/776255685.db2.gz KRHHDMZDCACPQZ-SFYZADRCSA-N 1 2 255.278 -1.774 20 0 CAADLO COCC[N@@H+]1C[C@@H](NC(=O)c2ncn[nH]2)[C@@H](O)C1 ZINC001083873665 776255690 /nfs/dbraw/zinc/25/56/90/776255690.db2.gz KRHHDMZDCACPQZ-SFYZADRCSA-N 1 2 255.278 -1.774 20 0 CAADLO O=C(N[C@@H](CO)Cc1c[nH]c[nH+]1)[C@H]1CNC(=O)C1 ZINC001143299077 776256018 /nfs/dbraw/zinc/25/60/18/776256018.db2.gz GHOGYYWHCNZZMC-VXNVDRBHSA-N 1 2 252.274 -1.435 20 0 CAADLO O=C(N[C@@H](CO)Cc1c[nH+]c[nH]1)[C@H]1CNC(=O)C1 ZINC001143299077 776256030 /nfs/dbraw/zinc/25/60/30/776256030.db2.gz GHOGYYWHCNZZMC-VXNVDRBHSA-N 1 2 252.274 -1.435 20 0 CAADLO O=C(N[C@@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O)c1nnc[nH]1 ZINC001083873711 776256506 /nfs/dbraw/zinc/25/65/06/776256506.db2.gz MYNYYAOJMASAKL-BDAKNGLRSA-N 1 2 292.303 -2.129 20 0 CAADLO O=C(N[C@@H]1C[N@H+](CCn2cncn2)C[C@@H]1O)c1nnc[nH]1 ZINC001083873711 776256513 /nfs/dbraw/zinc/25/65/13/776256513.db2.gz MYNYYAOJMASAKL-BDAKNGLRSA-N 1 2 292.303 -2.129 20 0 CAADLO COC[C@H](C)[N@H+]1C[C@@H](NC(=O)c2ncn[nH]2)[C@@H](O)C1 ZINC001083874191 776257649 /nfs/dbraw/zinc/25/76/49/776257649.db2.gz JYRPLUAHKVBWDZ-YIZRAAEISA-N 1 2 269.305 -1.386 20 0 CAADLO COC[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2ncn[nH]2)[C@@H](O)C1 ZINC001083874191 776257658 /nfs/dbraw/zinc/25/76/58/776257658.db2.gz JYRPLUAHKVBWDZ-YIZRAAEISA-N 1 2 269.305 -1.386 20 0 CAADLO COC[C@H](C)[N@H+]1C[C@@H](NC(=O)c2nc[nH]n2)[C@@H](O)C1 ZINC001083874191 776257665 /nfs/dbraw/zinc/25/76/65/776257665.db2.gz JYRPLUAHKVBWDZ-YIZRAAEISA-N 1 2 269.305 -1.386 20 0 CAADLO COC[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2nc[nH]n2)[C@@H](O)C1 ZINC001083874191 776257674 /nfs/dbraw/zinc/25/76/74/776257674.db2.gz JYRPLUAHKVBWDZ-YIZRAAEISA-N 1 2 269.305 -1.386 20 0 CAADLO C[C@H](O)C[N@H+]1C[C@@H](NC(=O)c2ncn[nH]2)[C@@H](O)C1 ZINC001083873996 776257915 /nfs/dbraw/zinc/25/79/15/776257915.db2.gz ZQIJCMTTZLUQSI-RNJXMRFFSA-N 1 2 255.278 -2.040 20 0 CAADLO C[C@H](O)C[N@@H+]1C[C@@H](NC(=O)c2ncn[nH]2)[C@@H](O)C1 ZINC001083873996 776257922 /nfs/dbraw/zinc/25/79/22/776257922.db2.gz ZQIJCMTTZLUQSI-RNJXMRFFSA-N 1 2 255.278 -2.040 20 0 CAADLO CC[C@@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)c2ccncn2)[C@@H](O)C1 ZINC001083874924 776258090 /nfs/dbraw/zinc/25/80/90/776258090.db2.gz SXEVMCFVNOSFLY-VWYCJHECSA-N 1 2 293.327 -1.485 20 0 CAADLO CC[C@@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)c2ccncn2)[C@@H](O)C1 ZINC001083874924 776258097 /nfs/dbraw/zinc/25/80/97/776258097.db2.gz SXEVMCFVNOSFLY-VWYCJHECSA-N 1 2 293.327 -1.485 20 0 CAADLO O=C(N[C@@H]1C[N@H+](CCCO)C[C@@H]1O)c1ncn[nH]1 ZINC001083874312 776258394 /nfs/dbraw/zinc/25/83/94/776258394.db2.gz QZJMSYMMIIZFNV-SFYZADRCSA-N 1 2 255.278 -2.038 20 0 CAADLO O=C(N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O)c1ncn[nH]1 ZINC001083874312 776258399 /nfs/dbraw/zinc/25/83/99/776258399.db2.gz QZJMSYMMIIZFNV-SFYZADRCSA-N 1 2 255.278 -2.038 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)Cn2ncnn2)[C@H](O)C1 ZINC001090268100 776259217 /nfs/dbraw/zinc/25/92/17/776259217.db2.gz GRSCLOCFHRBHLE-DTWKUNHWSA-N 1 2 297.319 -3.030 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)Cn2ncnn2)[C@H](O)C1 ZINC001090268100 776259223 /nfs/dbraw/zinc/25/92/23/776259223.db2.gz GRSCLOCFHRBHLE-DTWKUNHWSA-N 1 2 297.319 -3.030 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)Cn2ncnn2)[C@@H](O)C1 ZINC001090268101 776259361 /nfs/dbraw/zinc/25/93/61/776259361.db2.gz GRSCLOCFHRBHLE-IUCAKERBSA-N 1 2 297.319 -3.030 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)Cn2ncnn2)[C@@H](O)C1 ZINC001090268101 776259369 /nfs/dbraw/zinc/25/93/69/776259369.db2.gz GRSCLOCFHRBHLE-IUCAKERBSA-N 1 2 297.319 -3.030 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)Cn2ncnn2)[C@@H](O)C1 ZINC001090269927 776261366 /nfs/dbraw/zinc/26/13/66/776261366.db2.gz VBLYSGWDDGOMBJ-YUMQZZPRSA-N 1 2 283.292 -3.290 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)Cn2ncnn2)[C@@H](O)C1 ZINC001090269927 776261370 /nfs/dbraw/zinc/26/13/70/776261370.db2.gz VBLYSGWDDGOMBJ-YUMQZZPRSA-N 1 2 283.292 -3.290 20 0 CAADLO O=C(Cc1ccco1)N[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@@H]1O ZINC001083878905 776262877 /nfs/dbraw/zinc/26/28/77/776262877.db2.gz NVJOCMIIGMJRLR-UTUOFQBUSA-N 1 2 293.323 -1.128 20 0 CAADLO O=C(Cc1ccco1)N[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@@H]1O ZINC001083878905 776262886 /nfs/dbraw/zinc/26/28/86/776262886.db2.gz NVJOCMIIGMJRLR-UTUOFQBUSA-N 1 2 293.323 -1.128 20 0 CAADLO O=C(Cc1ccco1)N[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@@H]1O ZINC001083878906 776263432 /nfs/dbraw/zinc/26/34/32/776263432.db2.gz NVJOCMIIGMJRLR-WOPDTQHZSA-N 1 2 293.323 -1.128 20 0 CAADLO O=C(Cc1ccco1)N[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@@H]1O ZINC001083878906 776263434 /nfs/dbraw/zinc/26/34/34/776263434.db2.gz NVJOCMIIGMJRLR-WOPDTQHZSA-N 1 2 293.323 -1.128 20 0 CAADLO Cn1c[nH+]cc1CN1CCO[C@](C)(CNC(=O)C(N)=O)C1 ZINC001108176775 776264545 /nfs/dbraw/zinc/26/45/45/776264545.db2.gz FFFYKOGCIRFPDX-CYBMUJFWSA-N 1 2 295.343 -1.388 20 0 CAADLO Cn1c[nH+]cc1CN1CCO[C@@](C)(CNC(=O)C(N)=O)C1 ZINC001108176776 776264741 /nfs/dbraw/zinc/26/47/41/776264741.db2.gz FFFYKOGCIRFPDX-ZDUSSCGKSA-N 1 2 295.343 -1.388 20 0 CAADLO CC(=O)N[C@@H](CC(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C)C(N)=O ZINC001273173794 776266130 /nfs/dbraw/zinc/26/61/30/776266130.db2.gz CWCCVHZPQJSPFI-AXFHLTTASA-N 1 2 298.343 -2.092 20 0 CAADLO CC(=O)N[C@@H](CC(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C)C(N)=O ZINC001273173794 776266133 /nfs/dbraw/zinc/26/61/33/776266133.db2.gz CWCCVHZPQJSPFI-AXFHLTTASA-N 1 2 298.343 -2.092 20 0 CAADLO NC(=O)CC(=O)NCC1(NC(=O)Cn2cc[nH+]c2)CCC1 ZINC001062736030 776267908 /nfs/dbraw/zinc/26/79/08/776267908.db2.gz BVWUWNRQPPDHQG-UHFFFAOYSA-N 1 2 293.327 -1.086 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cc[nH]c2)[C@H](O)C1 ZINC001090288721 776268766 /nfs/dbraw/zinc/26/87/66/776268766.db2.gz CFBINQBNTPHYQJ-NXEZZACHSA-N 1 2 266.301 -1.335 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cc[nH]c2)[C@H](O)C1 ZINC001090288721 776268771 /nfs/dbraw/zinc/26/87/71/776268771.db2.gz CFBINQBNTPHYQJ-NXEZZACHSA-N 1 2 266.301 -1.335 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cc[nH]c2)[C@@H](O)C1 ZINC001090288722 776268782 /nfs/dbraw/zinc/26/87/82/776268782.db2.gz CFBINQBNTPHYQJ-UWVGGRQHSA-N 1 2 266.301 -1.335 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)c2cc[nH]c2)[C@@H](O)C1 ZINC001090288722 776268788 /nfs/dbraw/zinc/26/87/88/776268788.db2.gz CFBINQBNTPHYQJ-UWVGGRQHSA-N 1 2 266.301 -1.335 20 0 CAADLO CC1(C(=O)N[C@H]2CC[N@H+](CC(N)=O)C[C@@H]2O)CC1 ZINC001090286621 776268919 /nfs/dbraw/zinc/26/89/19/776268919.db2.gz PIQZISAWZSHIRM-IUCAKERBSA-N 1 2 255.318 -1.177 20 0 CAADLO CC1(C(=O)N[C@H]2CC[N@@H+](CC(N)=O)C[C@@H]2O)CC1 ZINC001090286621 776268925 /nfs/dbraw/zinc/26/89/25/776268925.db2.gz PIQZISAWZSHIRM-IUCAKERBSA-N 1 2 255.318 -1.177 20 0 CAADLO CC(C)OCCC(=O)N[C@H]1CC[N@H+](CC(N)=O)C[C@H]1O ZINC001099692818 776270216 /nfs/dbraw/zinc/27/02/16/776270216.db2.gz HQLJTPBURPCJMK-WDEREUQCSA-N 1 2 287.360 -1.162 20 0 CAADLO CC(C)OCCC(=O)N[C@H]1CC[N@@H+](CC(N)=O)C[C@H]1O ZINC001099692818 776270223 /nfs/dbraw/zinc/27/02/23/776270223.db2.gz HQLJTPBURPCJMK-WDEREUQCSA-N 1 2 287.360 -1.162 20 0 CAADLO CC(C)OCCC(=O)N[C@@H]1CC[N@H+](CC(N)=O)C[C@H]1O ZINC001099692815 776270982 /nfs/dbraw/zinc/27/09/82/776270982.db2.gz HQLJTPBURPCJMK-GHMZBOCLSA-N 1 2 287.360 -1.162 20 0 CAADLO CC(C)OCCC(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C[C@H]1O ZINC001099692815 776270989 /nfs/dbraw/zinc/27/09/89/776270989.db2.gz HQLJTPBURPCJMK-GHMZBOCLSA-N 1 2 287.360 -1.162 20 0 CAADLO NC(=O)C(=O)NC1(CNC(=O)CCc2c[nH]c[nH+]2)CCC1 ZINC001063396917 776275736 /nfs/dbraw/zinc/27/57/36/776275736.db2.gz RWKBQKNCNYBABV-UHFFFAOYSA-N 1 2 293.327 -1.017 20 0 CAADLO NC(=O)C(=O)NC1(CNC(=O)CCc2c[nH+]c[nH]2)CCC1 ZINC001063396917 776275743 /nfs/dbraw/zinc/27/57/43/776275743.db2.gz RWKBQKNCNYBABV-UHFFFAOYSA-N 1 2 293.327 -1.017 20 0 CAADLO NC(=O)C(=O)NC1(CNC(=O)Cn2cc[nH+]c2)CCC1 ZINC001063515774 776276395 /nfs/dbraw/zinc/27/63/95/776276395.db2.gz IXKZMXKJBZJKJQ-UHFFFAOYSA-N 1 2 279.300 -1.477 20 0 CAADLO O=C(C[C@@H]1CCNC1=O)NCC[NH2+]Cc1cnon1 ZINC001129298855 776276519 /nfs/dbraw/zinc/27/65/19/776276519.db2.gz YESFALBNWHZDKM-QMMMGPOBSA-N 1 2 267.289 -1.198 20 0 CAADLO Cn1c[nH+]cc1CC(=O)NCC1(NC(=O)C(N)=O)CCC1 ZINC001063722391 776277772 /nfs/dbraw/zinc/27/77/72/776277772.db2.gz DOFMVPUDSJFKNV-UHFFFAOYSA-N 1 2 293.327 -1.397 20 0 CAADLO Cc1ncc(CC(=O)NCC[NH2+]Cc2nc(=O)n(C)[nH]2)o1 ZINC001129311308 776277858 /nfs/dbraw/zinc/27/78/58/776277858.db2.gz WDQNAAJVKYAQJP-UHFFFAOYSA-N 1 2 294.315 -1.147 20 0 CAADLO NC(=O)C(=O)NC1(CNC(=O)CCn2cc[nH+]c2)CCC1 ZINC001063786790 776277914 /nfs/dbraw/zinc/27/79/14/776277914.db2.gz IYFBAYJUUXLIFT-UHFFFAOYSA-N 1 2 293.327 -1.086 20 0 CAADLO NC(=O)C(=O)NCC1(NC(=O)Cc2c[nH]c[nH+]2)CCC1 ZINC001064293491 776280166 /nfs/dbraw/zinc/28/01/66/776280166.db2.gz KEIPYPYLJNVEGE-UHFFFAOYSA-N 1 2 279.300 -1.407 20 0 CAADLO Cn1c[nH+]cc1CC(=O)NC1(CNC(=O)C(N)=O)CCC1 ZINC001064289730 776280440 /nfs/dbraw/zinc/28/04/40/776280440.db2.gz HZJBSAAFABAGBK-UHFFFAOYSA-N 1 2 293.327 -1.397 20 0 CAADLO NC(=O)C(=O)NCC1(NC(=O)Cc2[nH]cc[nH+]2)CCC1 ZINC001064291302 776281878 /nfs/dbraw/zinc/28/18/78/776281878.db2.gz UCRGREGORZMJSH-UHFFFAOYSA-N 1 2 279.300 -1.407 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)Cn2nccn2)[C@H](O)C1 ZINC001090296375 776285037 /nfs/dbraw/zinc/28/50/37/776285037.db2.gz ZSMFYZNUHCCOMQ-VHSXEESVSA-N 1 2 296.331 -2.425 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)Cn2nccn2)[C@H](O)C1 ZINC001090296375 776285044 /nfs/dbraw/zinc/28/50/44/776285044.db2.gz ZSMFYZNUHCCOMQ-VHSXEESVSA-N 1 2 296.331 -2.425 20 0 CAADLO NC(=O)C(=O)NC1(CNC(=O)Cc2c[nH]c[nH+]2)CCC1 ZINC001064702053 776285074 /nfs/dbraw/zinc/28/50/74/776285074.db2.gz VDBYJBWQIXYFTG-UHFFFAOYSA-N 1 2 279.300 -1.407 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cn2nccn2)[C@@H](O)C1 ZINC001090296376 776285490 /nfs/dbraw/zinc/28/54/90/776285490.db2.gz ZSMFYZNUHCCOMQ-ZJUUUORDSA-N 1 2 296.331 -2.425 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)Cn2nccn2)[C@@H](O)C1 ZINC001090296376 776285497 /nfs/dbraw/zinc/28/54/97/776285497.db2.gz ZSMFYZNUHCCOMQ-ZJUUUORDSA-N 1 2 296.331 -2.425 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)Cn2nccn2)[C@@H](O)C1 ZINC001090296374 776286056 /nfs/dbraw/zinc/28/60/56/776286056.db2.gz ZSMFYZNUHCCOMQ-UWVGGRQHSA-N 1 2 296.331 -2.425 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)Cn2nccn2)[C@@H](O)C1 ZINC001090296374 776286060 /nfs/dbraw/zinc/28/60/60/776286060.db2.gz ZSMFYZNUHCCOMQ-UWVGGRQHSA-N 1 2 296.331 -2.425 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)Cn2nccn2)[C@H](O)C1 ZINC001090297328 776286467 /nfs/dbraw/zinc/28/64/67/776286467.db2.gz IFMFGIWCKUWAOZ-DTWKUNHWSA-N 1 2 282.304 -2.685 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)Cn2nccn2)[C@H](O)C1 ZINC001090297328 776286471 /nfs/dbraw/zinc/28/64/71/776286471.db2.gz IFMFGIWCKUWAOZ-DTWKUNHWSA-N 1 2 282.304 -2.685 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cn2nccn2)[C@@H](O)C1 ZINC001090297327 776286649 /nfs/dbraw/zinc/28/66/49/776286649.db2.gz IFMFGIWCKUWAOZ-BDAKNGLRSA-N 1 2 282.304 -2.685 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)Cn2nccn2)[C@@H](O)C1 ZINC001090297327 776286653 /nfs/dbraw/zinc/28/66/53/776286653.db2.gz IFMFGIWCKUWAOZ-BDAKNGLRSA-N 1 2 282.304 -2.685 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)c2ccns2)[C@@H](O)C1 ZINC001090304042 776286839 /nfs/dbraw/zinc/28/68/39/776286839.db2.gz PTCRCPUJCXCXOH-YUMQZZPRSA-N 1 2 284.341 -1.207 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)c2ccns2)[C@@H](O)C1 ZINC001090304042 776286841 /nfs/dbraw/zinc/28/68/41/776286841.db2.gz PTCRCPUJCXCXOH-YUMQZZPRSA-N 1 2 284.341 -1.207 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cn2nccn2)[C@H](O)C1 ZINC001090297330 776287124 /nfs/dbraw/zinc/28/71/24/776287124.db2.gz IFMFGIWCKUWAOZ-RKDXNWHRSA-N 1 2 282.304 -2.685 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)Cn2nccn2)[C@H](O)C1 ZINC001090297330 776287131 /nfs/dbraw/zinc/28/71/31/776287131.db2.gz IFMFGIWCKUWAOZ-RKDXNWHRSA-N 1 2 282.304 -2.685 20 0 CAADLO COCC(=O)N1CCO[C@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001064752615 776288285 /nfs/dbraw/zinc/28/82/85/776288285.db2.gz DCTZNYRMYOCRNM-SNVBAGLBSA-N 1 2 296.327 -1.058 20 0 CAADLO COCC(=O)N1CCO[C@@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001064752613 776288414 /nfs/dbraw/zinc/28/84/14/776288414.db2.gz DCTZNYRMYOCRNM-JTQLQIEISA-N 1 2 296.327 -1.058 20 0 CAADLO COCC(=O)N1CCO[C@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001064756655 776290103 /nfs/dbraw/zinc/29/01/03/776290103.db2.gz MWUJUMTXAJNOGV-LLVKDONJSA-N 1 2 296.327 -1.058 20 0 CAADLO COCC(=O)N1CCO[C@@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001064756656 776290542 /nfs/dbraw/zinc/29/05/42/776290542.db2.gz MWUJUMTXAJNOGV-NSHDSACASA-N 1 2 296.327 -1.058 20 0 CAADLO Cc1[nH]c(=O)[nH]c1C(=O)N[C@@H]1CC[N@H+](CC(N)=O)C[C@H]1O ZINC001090345067 776293845 /nfs/dbraw/zinc/29/38/45/776293845.db2.gz RDUJIEMWRDOLEN-HTQZYQBOSA-N 1 2 297.315 -1.926 20 0 CAADLO Cc1[nH]c(=O)[nH]c1C(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C[C@H]1O ZINC001090345067 776293850 /nfs/dbraw/zinc/29/38/50/776293850.db2.gz RDUJIEMWRDOLEN-HTQZYQBOSA-N 1 2 297.315 -1.926 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)COCC2CC2)[C@@H](O)C1 ZINC001099701075 776302933 /nfs/dbraw/zinc/30/29/33/776302933.db2.gz APMINMVAIABVGC-RYUDHWBXSA-N 1 2 299.371 -1.290 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)COCC2CC2)[C@@H](O)C1 ZINC001099701075 776302938 /nfs/dbraw/zinc/30/29/38/776302938.db2.gz APMINMVAIABVGC-RYUDHWBXSA-N 1 2 299.371 -1.290 20 0 CAADLO C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1NC(=O)[C@H]1COCCO1 ZINC001079440871 776304864 /nfs/dbraw/zinc/30/48/64/776304864.db2.gz WUEYPYRYPDORQN-OPRDCNLKSA-N 1 2 271.317 -1.676 20 0 CAADLO C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1NC(=O)[C@H]1COCCO1 ZINC001079440871 776304865 /nfs/dbraw/zinc/30/48/65/776304865.db2.gz WUEYPYRYPDORQN-OPRDCNLKSA-N 1 2 271.317 -1.676 20 0 CAADLO CCN(C(=O)CC(N)=O)C1CN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001079529602 776307776 /nfs/dbraw/zinc/30/77/76/776307776.db2.gz GUYNJRCMBJNHAO-UHFFFAOYSA-N 1 2 293.327 -1.113 20 0 CAADLO CNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cn(C)nn2)C1 ZINC001079649669 776310186 /nfs/dbraw/zinc/31/01/86/776310186.db2.gz RIRSOLUPFSEIGF-RKDXNWHRSA-N 1 2 280.332 -1.389 20 0 CAADLO CNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cn(C)nn2)C1 ZINC001079649669 776310194 /nfs/dbraw/zinc/31/01/94/776310194.db2.gz RIRSOLUPFSEIGF-RKDXNWHRSA-N 1 2 280.332 -1.389 20 0 CAADLO C[C@H](C(=O)N[C@@H]1C[N@H+](CC(N)=O)C[C@H]1C)n1cncn1 ZINC001079596241 776310432 /nfs/dbraw/zinc/31/04/32/776310432.db2.gz VWCUOBRYLVGBCY-OPRDCNLKSA-N 1 2 280.332 -1.239 20 0 CAADLO C[C@H](C(=O)N[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1C)n1cncn1 ZINC001079596241 776310441 /nfs/dbraw/zinc/31/04/41/776310441.db2.gz VWCUOBRYLVGBCY-OPRDCNLKSA-N 1 2 280.332 -1.239 20 0 CAADLO C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1NC(=O)[C@]12C[C@H]1COC2 ZINC001079735010 776312564 /nfs/dbraw/zinc/31/25/64/776312564.db2.gz YVMQZTJIFGJCSZ-COMAGPEQSA-N 1 2 267.329 -1.055 20 0 CAADLO C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1NC(=O)[C@]12C[C@H]1COC2 ZINC001079735010 776312573 /nfs/dbraw/zinc/31/25/73/776312573.db2.gz YVMQZTJIFGJCSZ-COMAGPEQSA-N 1 2 267.329 -1.055 20 0 CAADLO C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1NC(=O)c1cc2n(n1)CCO2 ZINC001079860758 776314155 /nfs/dbraw/zinc/31/41/55/776314155.db2.gz WWPRNNUDUZOZBO-PSASIEDQSA-N 1 2 293.327 -1.189 20 0 CAADLO C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1NC(=O)c1cc2n(n1)CCO2 ZINC001079860758 776314160 /nfs/dbraw/zinc/31/41/60/776314160.db2.gz WWPRNNUDUZOZBO-PSASIEDQSA-N 1 2 293.327 -1.189 20 0 CAADLO COCCCC(=O)N[C@@H]1CC[N@H+](CC(N)=O)C[C@@H]1O ZINC001099706461 776317682 /nfs/dbraw/zinc/31/76/82/776317682.db2.gz BRORMBVAALCHKR-ZJUUUORDSA-N 1 2 273.333 -1.550 20 0 CAADLO COCCCC(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C[C@@H]1O ZINC001099706461 776317691 /nfs/dbraw/zinc/31/76/91/776317691.db2.gz BRORMBVAALCHKR-ZJUUUORDSA-N 1 2 273.333 -1.550 20 0 CAADLO CCN(C(=O)CCn1cc[nH+]c1)C1CN(C(=O)C(N)=O)C1 ZINC001080168784 776318367 /nfs/dbraw/zinc/31/83/67/776318367.db2.gz ZWYKILDFXYIDPK-UHFFFAOYSA-N 1 2 293.327 -1.182 20 0 CAADLO C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1NC(=O)c1ccc(C(N)=O)o1 ZINC001080092052 776319046 /nfs/dbraw/zinc/31/90/46/776319046.db2.gz FDEUTFZWODUSDU-HTQZYQBOSA-N 1 2 294.311 -1.086 20 0 CAADLO C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1NC(=O)c1ccc(C(N)=O)o1 ZINC001080092052 776319057 /nfs/dbraw/zinc/31/90/57/776319057.db2.gz FDEUTFZWODUSDU-HTQZYQBOSA-N 1 2 294.311 -1.086 20 0 CAADLO C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1NC(=O)c1coc(C(N)=O)c1 ZINC001080190995 776319098 /nfs/dbraw/zinc/31/90/98/776319098.db2.gz QXASNUVKZLPAIH-VXNVDRBHSA-N 1 2 294.311 -1.086 20 0 CAADLO C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1NC(=O)c1coc(C(N)=O)c1 ZINC001080190995 776319107 /nfs/dbraw/zinc/31/91/07/776319107.db2.gz QXASNUVKZLPAIH-VXNVDRBHSA-N 1 2 294.311 -1.086 20 0 CAADLO C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1NC(=O)[C@@]1(C)CNC(=O)C1 ZINC001080183159 776319337 /nfs/dbraw/zinc/31/93/37/776319337.db2.gz LTPLWTLJRDVRGA-JRKPZEMJSA-N 1 2 282.344 -1.566 20 0 CAADLO C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1NC(=O)[C@@]1(C)CNC(=O)C1 ZINC001080183159 776319342 /nfs/dbraw/zinc/31/93/42/776319342.db2.gz LTPLWTLJRDVRGA-JRKPZEMJSA-N 1 2 282.344 -1.566 20 0 CAADLO COc1nn(C)cc1C(=O)N[C@@H]1C[N@H+](CC(N)=O)C[C@H]1C ZINC001080252139 776320532 /nfs/dbraw/zinc/32/05/32/776320532.db2.gz DQOVZBJKXIHYNL-PSASIEDQSA-N 1 2 295.343 -1.036 20 0 CAADLO COc1nn(C)cc1C(=O)N[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1C ZINC001080252139 776320538 /nfs/dbraw/zinc/32/05/38/776320538.db2.gz DQOVZBJKXIHYNL-PSASIEDQSA-N 1 2 295.343 -1.036 20 0 CAADLO C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1NC(=O)c1nnn(C)n1 ZINC001080281188 776320557 /nfs/dbraw/zinc/32/05/57/776320557.db2.gz UCQGKQQFYDWSOZ-RNFRBKRXSA-N 1 2 267.293 -2.255 20 0 CAADLO C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1NC(=O)c1nnn(C)n1 ZINC001080281188 776320562 /nfs/dbraw/zinc/32/05/62/776320562.db2.gz UCQGKQQFYDWSOZ-RNFRBKRXSA-N 1 2 267.293 -2.255 20 0 CAADLO C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1NC(=O)[C@@]1(C)CCC(=O)NC1 ZINC001080304310 776321436 /nfs/dbraw/zinc/32/14/36/776321436.db2.gz FCFUDACWJQETFM-RULNRJAQSA-N 1 2 296.371 -1.176 20 0 CAADLO C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1NC(=O)[C@@]1(C)CCC(=O)NC1 ZINC001080304310 776321441 /nfs/dbraw/zinc/32/14/41/776321441.db2.gz FCFUDACWJQETFM-RULNRJAQSA-N 1 2 296.371 -1.176 20 0 CAADLO C[C@@H]1C[N@H+](CC(=O)N2CCOCC2)C[C@H]1NC(=O)C(N)=O ZINC001080367821 776323472 /nfs/dbraw/zinc/32/34/72/776323472.db2.gz WTCQDTZUMQQNFC-NXEZZACHSA-N 1 2 298.343 -2.233 20 0 CAADLO C[C@@H]1C[N@@H+](CC(=O)N2CCOCC2)C[C@H]1NC(=O)C(N)=O ZINC001080367821 776323482 /nfs/dbraw/zinc/32/34/82/776323482.db2.gz WTCQDTZUMQQNFC-NXEZZACHSA-N 1 2 298.343 -2.233 20 0 CAADLO COc1ccc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)C(N)=O)C2)nn1 ZINC001080367819 776324219 /nfs/dbraw/zinc/32/42/19/776324219.db2.gz WRFBOPWHLOLBBF-PSASIEDQSA-N 1 2 293.327 -1.093 20 0 CAADLO COc1ccc(C[N@H+]2C[C@@H](C)[C@H](NC(=O)C(N)=O)C2)nn1 ZINC001080367819 776324226 /nfs/dbraw/zinc/32/42/26/776324226.db2.gz WRFBOPWHLOLBBF-PSASIEDQSA-N 1 2 293.327 -1.093 20 0 CAADLO CCN(C(=O)C(N)=O)C1CN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001080400254 776325052 /nfs/dbraw/zinc/32/50/52/776325052.db2.gz AVJMICKFHHRDOA-UHFFFAOYSA-N 1 2 293.327 -1.113 20 0 CAADLO C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1NC(=O)[C@]1(C)CCC(=O)N1 ZINC001080397540 776325306 /nfs/dbraw/zinc/32/53/06/776325306.db2.gz DRILWZZHBUJDEU-KKFJDGPESA-N 1 2 282.344 -1.423 20 0 CAADLO C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1NC(=O)[C@]1(C)CCC(=O)N1 ZINC001080397540 776325317 /nfs/dbraw/zinc/32/53/17/776325317.db2.gz DRILWZZHBUJDEU-KKFJDGPESA-N 1 2 282.344 -1.423 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cnn(C)n2)C1 ZINC001080614217 776331083 /nfs/dbraw/zinc/33/10/83/776331083.db2.gz GMVSJJVPOUOAMI-NQMVMOMDSA-N 1 2 280.332 -1.261 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cnn(C)n2)C1 ZINC001080614217 776331091 /nfs/dbraw/zinc/33/10/91/776331091.db2.gz GMVSJJVPOUOAMI-NQMVMOMDSA-N 1 2 280.332 -1.261 20 0 CAADLO CCN(C(=O)Cc1c[nH+]c[nH]1)C1CN(C(=O)CC(N)=O)C1 ZINC001080628632 776331500 /nfs/dbraw/zinc/33/15/00/776331500.db2.gz WKMWNSWNIDRRPR-UHFFFAOYSA-N 1 2 293.327 -1.113 20 0 CAADLO C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1NC(=O)c1ccc(C(N)=O)[nH]1 ZINC001080460616 776331669 /nfs/dbraw/zinc/33/16/69/776331669.db2.gz JHATZRCENPEAPR-GMSGAONNSA-N 1 2 293.327 -1.351 20 0 CAADLO C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1NC(=O)c1ccc(C(N)=O)[nH]1 ZINC001080460616 776331672 /nfs/dbraw/zinc/33/16/72/776331672.db2.gz JHATZRCENPEAPR-GMSGAONNSA-N 1 2 293.327 -1.351 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cnon2)C1 ZINC001080648283 776333338 /nfs/dbraw/zinc/33/33/38/776333338.db2.gz FCWOORCZRUXBGS-ZXFLCMHBSA-N 1 2 267.289 -1.007 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cnon2)C1 ZINC001080648283 776333346 /nfs/dbraw/zinc/33/33/46/776333346.db2.gz FCWOORCZRUXBGS-ZXFLCMHBSA-N 1 2 267.289 -1.007 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cnon2)C1 ZINC001080648282 776333785 /nfs/dbraw/zinc/33/37/85/776333785.db2.gz FCWOORCZRUXBGS-BKPPORCPSA-N 1 2 267.289 -1.007 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cnon2)C1 ZINC001080648282 776333780 /nfs/dbraw/zinc/33/37/80/776333780.db2.gz FCWOORCZRUXBGS-BKPPORCPSA-N 1 2 267.289 -1.007 20 0 CAADLO CNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cnon2)C1 ZINC001080647198 776333978 /nfs/dbraw/zinc/33/39/78/776333978.db2.gz JOMUDRQRFRLMJC-VXNVDRBHSA-N 1 2 267.289 -1.134 20 0 CAADLO CNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cnon2)C1 ZINC001080647198 776333989 /nfs/dbraw/zinc/33/39/89/776333989.db2.gz JOMUDRQRFRLMJC-VXNVDRBHSA-N 1 2 267.289 -1.134 20 0 CAADLO CS(=O)(=O)CC(=O)N[C@H]1CC[N@H+](CCO)C[C@@H]1O ZINC001099717789 776334660 /nfs/dbraw/zinc/33/46/60/776334660.db2.gz BSIZSZVPFQMAEQ-IUCAKERBSA-N 1 2 280.346 -2.425 20 0 CAADLO CS(=O)(=O)CC(=O)N[C@H]1CC[N@@H+](CCO)C[C@@H]1O ZINC001099717789 776334666 /nfs/dbraw/zinc/33/46/66/776334666.db2.gz BSIZSZVPFQMAEQ-IUCAKERBSA-N 1 2 280.346 -2.425 20 0 CAADLO CS(=O)(=O)CC(=O)N[C@H]1CC[N@H+](CCO)C[C@H]1O ZINC001099717788 776335260 /nfs/dbraw/zinc/33/52/60/776335260.db2.gz BSIZSZVPFQMAEQ-DTWKUNHWSA-N 1 2 280.346 -2.425 20 0 CAADLO CS(=O)(=O)CC(=O)N[C@H]1CC[N@@H+](CCO)C[C@H]1O ZINC001099717788 776335268 /nfs/dbraw/zinc/33/52/68/776335268.db2.gz BSIZSZVPFQMAEQ-DTWKUNHWSA-N 1 2 280.346 -2.425 20 0 CAADLO C[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]1NC(=O)Cc1nnc[nH]1 ZINC001080750755 776336231 /nfs/dbraw/zinc/33/62/31/776336231.db2.gz OGDLGNLLQUQRRS-NXEZZACHSA-N 1 2 294.359 -1.128 20 0 CAADLO C[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1NC(=O)Cc1nnc[nH]1 ZINC001080750755 776336241 /nfs/dbraw/zinc/33/62/41/776336241.db2.gz OGDLGNLLQUQRRS-NXEZZACHSA-N 1 2 294.359 -1.128 20 0 CAADLO COc1c(C(=O)N[C@@H]2C[N@H+](CC(N)=O)C[C@H]2C)cnn1C ZINC001080857086 776338287 /nfs/dbraw/zinc/33/82/87/776338287.db2.gz GVKOMANVWPZQEF-PSASIEDQSA-N 1 2 295.343 -1.036 20 0 CAADLO COc1c(C(=O)N[C@@H]2C[N@@H+](CC(N)=O)C[C@H]2C)cnn1C ZINC001080857086 776338296 /nfs/dbraw/zinc/33/82/96/776338296.db2.gz GVKOMANVWPZQEF-PSASIEDQSA-N 1 2 295.343 -1.036 20 0 CAADLO CNC(=O)C[NH+]1CCC(NC(=O)c2nnc[nH]2)CC1 ZINC000095041139 776339657 /nfs/dbraw/zinc/33/96/57/776339657.db2.gz CQKYVVUFTCXYLY-UHFFFAOYSA-N 1 2 266.305 -1.255 20 0 CAADLO C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1NC(=O)c1c[nH]c(C(N)=O)c1 ZINC001080951186 776341624 /nfs/dbraw/zinc/34/16/24/776341624.db2.gz IVULFFJTMRXNFC-GMSGAONNSA-N 1 2 293.327 -1.351 20 0 CAADLO C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1NC(=O)c1c[nH]c(C(N)=O)c1 ZINC001080951186 776341629 /nfs/dbraw/zinc/34/16/29/776341629.db2.gz IVULFFJTMRXNFC-GMSGAONNSA-N 1 2 293.327 -1.351 20 0 CAADLO Cc1nonc1C(=O)N[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1C ZINC001081044033 776342984 /nfs/dbraw/zinc/34/29/84/776342984.db2.gz KWDOPSIPEXIVFL-HTRCEHHLSA-N 1 2 267.289 -1.087 20 0 CAADLO Cc1nonc1C(=O)N[C@@H]1C[N@H+](CC(N)=O)C[C@H]1C ZINC001081044033 776342991 /nfs/dbraw/zinc/34/29/91/776342991.db2.gz KWDOPSIPEXIVFL-HTRCEHHLSA-N 1 2 267.289 -1.087 20 0 CAADLO COCC(=O)NC[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1O ZINC001081166223 776349841 /nfs/dbraw/zinc/34/98/41/776349841.db2.gz HSYKLWJQZZUGIV-GHMZBOCLSA-N 1 2 296.327 -1.535 20 0 CAADLO COCC(=O)NC[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1O ZINC001081181879 776353511 /nfs/dbraw/zinc/35/35/11/776353511.db2.gz XUXODKIAXWUBQL-UWVGGRQHSA-N 1 2 296.327 -1.466 20 0 CAADLO CO[C@@H]1C[N@H+](CC(=O)N2CCOCC2)C[C@H]1NC(C)=O ZINC001081236096 776355654 /nfs/dbraw/zinc/35/56/54/776355654.db2.gz SDTSXDAIKASZNQ-VXGBXAGGSA-N 1 2 285.344 -1.320 20 0 CAADLO CO[C@@H]1C[N@@H+](CC(=O)N2CCOCC2)C[C@H]1NC(C)=O ZINC001081236096 776355661 /nfs/dbraw/zinc/35/56/61/776355661.db2.gz SDTSXDAIKASZNQ-VXGBXAGGSA-N 1 2 285.344 -1.320 20 0 CAADLO CO[C@@H]1C[N@@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1NC(C)=O ZINC001081238966 776357105 /nfs/dbraw/zinc/35/71/05/776357105.db2.gz YSTOTRWTFYHZEB-KXUCPTDWSA-N 1 2 269.301 -1.373 20 0 CAADLO CO[C@@H]1C[N@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1NC(C)=O ZINC001081238966 776357116 /nfs/dbraw/zinc/35/71/16/776357116.db2.gz YSTOTRWTFYHZEB-KXUCPTDWSA-N 1 2 269.301 -1.373 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2ccn[nH]2)[C@H](OC)C1 ZINC001081387363 776365439 /nfs/dbraw/zinc/36/54/39/776365439.db2.gz ONFWVVQWRAGLCN-JMJZKYOTSA-N 1 2 295.343 -1.027 20 0 CAADLO CNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)c2ccn[nH]2)[C@H](OC)C1 ZINC001081387363 776365447 /nfs/dbraw/zinc/36/54/47/776365447.db2.gz ONFWVVQWRAGLCN-JMJZKYOTSA-N 1 2 295.343 -1.027 20 0 CAADLO CO[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@H]1NC(=O)c1cn[nH]c1 ZINC001081395723 776365505 /nfs/dbraw/zinc/36/55/05/776365505.db2.gz DXHNMWZRICGFNM-GMTAPVOTSA-N 1 2 293.327 -1.273 20 0 CAADLO CO[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@H]1NC(=O)c1cn[nH]c1 ZINC001081395723 776365515 /nfs/dbraw/zinc/36/55/15/776365515.db2.gz DXHNMWZRICGFNM-GMTAPVOTSA-N 1 2 293.327 -1.273 20 0 CAADLO CNC(=O)C[N@@H+]1C[C@@H](NC(=O)[C@H]2CCOC2)[C@H](OC)C1 ZINC001081420793 776367144 /nfs/dbraw/zinc/36/71/44/776367144.db2.gz GLMXTMPINMTTAF-HBNTYKKESA-N 1 2 285.344 -1.416 20 0 CAADLO CNC(=O)C[N@H+]1C[C@@H](NC(=O)[C@H]2CCOC2)[C@H](OC)C1 ZINC001081420793 776367155 /nfs/dbraw/zinc/36/71/55/776367155.db2.gz GLMXTMPINMTTAF-HBNTYKKESA-N 1 2 285.344 -1.416 20 0 CAADLO CO[C@@H]1C[N@@H+]([C@H](C)C(N)=O)C[C@H]1NC(=O)Cc1ccon1 ZINC001081453930 776369045 /nfs/dbraw/zinc/36/90/45/776369045.db2.gz BRHFJMFJVDUIJF-FBIMIBRVSA-N 1 2 296.327 -1.094 20 0 CAADLO CO[C@@H]1C[N@H+]([C@H](C)C(N)=O)C[C@H]1NC(=O)Cc1ccon1 ZINC001081453930 776369057 /nfs/dbraw/zinc/36/90/57/776369057.db2.gz BRHFJMFJVDUIJF-FBIMIBRVSA-N 1 2 296.327 -1.094 20 0 CAADLO COCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001081578151 776375040 /nfs/dbraw/zinc/37/50/40/776375040.db2.gz XOZCIBQCOIKTAA-WDEREUQCSA-N 1 2 296.327 -1.535 20 0 CAADLO CNC(=O)C[N@@H+]1C[C@@H](NC(=O)C2=CCOCC2)[C@H](OC)C1 ZINC001081573716 776375075 /nfs/dbraw/zinc/37/50/75/776375075.db2.gz QIKHRUBTNDFBBK-VXGBXAGGSA-N 1 2 297.355 -1.106 20 0 CAADLO CNC(=O)C[N@H+]1C[C@@H](NC(=O)C2=CCOCC2)[C@H](OC)C1 ZINC001081573716 776375086 /nfs/dbraw/zinc/37/50/86/776375086.db2.gz QIKHRUBTNDFBBK-VXGBXAGGSA-N 1 2 297.355 -1.106 20 0 CAADLO CC(=O)N1C[C@H](O)[C@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001081579978 776375257 /nfs/dbraw/zinc/37/52/57/776375257.db2.gz IIROVAIWRHVZLO-MNOVXSKESA-N 1 2 266.301 -1.162 20 0 CAADLO NC(=O)C(=O)N1C[C@H](O)[C@@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001081580959 776375594 /nfs/dbraw/zinc/37/55/94/776375594.db2.gz VFVWVGSLWXKXNM-IUCAKERBSA-N 1 2 295.299 -2.696 20 0 CAADLO CC(=O)N1C[C@H](O)[C@@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001081579979 776376041 /nfs/dbraw/zinc/37/60/41/776376041.db2.gz IIROVAIWRHVZLO-QWRGUYRKSA-N 1 2 266.301 -1.162 20 0 CAADLO CC(=O)N1C[C@H](O)[C@H](CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001081617253 776377199 /nfs/dbraw/zinc/37/71/99/776377199.db2.gz BGPVTFBNAHNDCP-PWSUYJOCSA-N 1 2 280.328 -1.082 20 0 CAADLO CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001081691987 776380539 /nfs/dbraw/zinc/38/05/39/776380539.db2.gz AKFCZHAENQCYJB-VHSXEESVSA-N 1 2 266.301 -1.092 20 0 CAADLO COCC(=O)N1C[C@H](O)[C@@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001081693407 776381797 /nfs/dbraw/zinc/38/17/97/776381797.db2.gz RPSARFBFKJPFRT-UWVGGRQHSA-N 1 2 296.327 -1.466 20 0 CAADLO CO[C@@H]1C[N@H+](CCF)C[C@H]1NC(=O)Cn1ncnn1 ZINC001081673538 776381998 /nfs/dbraw/zinc/38/19/98/776381998.db2.gz MXVAUZQPFOTDBT-RKDXNWHRSA-N 1 2 272.284 -1.542 20 0 CAADLO CO[C@@H]1C[N@@H+](CCF)C[C@H]1NC(=O)Cn1ncnn1 ZINC001081673538 776382010 /nfs/dbraw/zinc/38/20/10/776382010.db2.gz MXVAUZQPFOTDBT-RKDXNWHRSA-N 1 2 272.284 -1.542 20 0 CAADLO CO[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]1NC(=O)c1ncc[nH]1 ZINC001081643887 776383046 /nfs/dbraw/zinc/38/30/46/776383046.db2.gz CCPBTXBJTGXBDO-NXEZZACHSA-N 1 2 295.343 -1.073 20 0 CAADLO CO[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1NC(=O)c1ncc[nH]1 ZINC001081643887 776383055 /nfs/dbraw/zinc/38/30/55/776383055.db2.gz CCPBTXBJTGXBDO-NXEZZACHSA-N 1 2 295.343 -1.073 20 0 CAADLO NC(=O)C(=O)NC[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1O ZINC001081714214 776387668 /nfs/dbraw/zinc/38/76/68/776387668.db2.gz UVBJLMKMRBAKDM-SFYZADRCSA-N 1 2 295.299 -2.627 20 0 CAADLO NC(=O)C(=O)NC[C@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1O ZINC001081715459 776388349 /nfs/dbraw/zinc/38/83/49/776388349.db2.gz FRLHKWOGCKXKCE-IUCAKERBSA-N 1 2 295.299 -2.696 20 0 CAADLO NC(=O)C(=O)NC[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1O ZINC001081715457 776388636 /nfs/dbraw/zinc/38/86/36/776388636.db2.gz FRLHKWOGCKXKCE-BDAKNGLRSA-N 1 2 295.299 -2.696 20 0 CAADLO NC(=O)C(=O)NC[C@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1O ZINC001081715458 776389171 /nfs/dbraw/zinc/38/91/71/776389171.db2.gz FRLHKWOGCKXKCE-DTWKUNHWSA-N 1 2 295.299 -2.696 20 0 CAADLO NC(=O)C(=O)NC[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1O ZINC001081723027 776390934 /nfs/dbraw/zinc/39/09/34/776390934.db2.gz XWVQIYOYAAYBTC-CBAPKCEASA-N 1 2 295.299 -2.627 20 0 CAADLO NC(=O)C(=O)NC[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1O ZINC001081723029 776391814 /nfs/dbraw/zinc/39/18/14/776391814.db2.gz XWVQIYOYAAYBTC-IONNQARKSA-N 1 2 295.299 -2.627 20 0 CAADLO NC(=O)C(=O)N1C[C@H](O)[C@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001081694749 776392867 /nfs/dbraw/zinc/39/28/67/776392867.db2.gz ANVCLQDHUPMSAL-SFYZADRCSA-N 1 2 295.299 -2.627 20 0 CAADLO CO[C@@H]1C[N@@H+]([C@@H](C)C(N)=O)C[C@H]1NC(=O)Cn1nccn1 ZINC001081736977 776393154 /nfs/dbraw/zinc/39/31/54/776393154.db2.gz FFIFPQGWXYPNMK-IVZWLZJFSA-N 1 2 296.331 -2.033 20 0 CAADLO CO[C@@H]1C[N@H+]([C@@H](C)C(N)=O)C[C@H]1NC(=O)Cn1nccn1 ZINC001081736977 776393164 /nfs/dbraw/zinc/39/31/64/776393164.db2.gz FFIFPQGWXYPNMK-IVZWLZJFSA-N 1 2 296.331 -2.033 20 0 CAADLO COCC(=O)N1C[C@H](O)[C@@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001081797064 776393937 /nfs/dbraw/zinc/39/39/37/776393937.db2.gz GVHJLBAOQHPATM-ONGXEEELSA-N 1 2 296.327 -1.466 20 0 CAADLO CNC(=O)C[N@@H+]1C[C@@H](NC(=O)C2CC(OC)C2)[C@H](OC)C1 ZINC001081829564 776397736 /nfs/dbraw/zinc/39/77/36/776397736.db2.gz YVPHFQCTHUUYRN-KIDURHIOSA-N 1 2 299.371 -1.027 20 0 CAADLO CNC(=O)C[N@H+]1C[C@@H](NC(=O)C2CC(OC)C2)[C@H](OC)C1 ZINC001081829564 776397745 /nfs/dbraw/zinc/39/77/45/776397745.db2.gz YVPHFQCTHUUYRN-KIDURHIOSA-N 1 2 299.371 -1.027 20 0 CAADLO CO[C@@H]1C[N@H+](CCCO)C[C@H]1NC(=O)c1cn[nH]n1 ZINC001081887989 776399781 /nfs/dbraw/zinc/39/97/81/776399781.db2.gz CYLLSZJQZFNVIE-NXEZZACHSA-N 1 2 269.305 -1.384 20 0 CAADLO CO[C@@H]1C[N@@H+](CCCO)C[C@H]1NC(=O)c1cn[nH]n1 ZINC001081887989 776399785 /nfs/dbraw/zinc/39/97/85/776399785.db2.gz CYLLSZJQZFNVIE-NXEZZACHSA-N 1 2 269.305 -1.384 20 0 CAADLO CO[C@@H]1C[N@H+](CCCO)C[C@H]1NC(=O)c1cnn[nH]1 ZINC001081887989 776399793 /nfs/dbraw/zinc/39/97/93/776399793.db2.gz CYLLSZJQZFNVIE-NXEZZACHSA-N 1 2 269.305 -1.384 20 0 CAADLO CO[C@@H]1C[N@@H+](CCCO)C[C@H]1NC(=O)c1cnn[nH]1 ZINC001081887989 776399802 /nfs/dbraw/zinc/39/98/02/776399802.db2.gz CYLLSZJQZFNVIE-NXEZZACHSA-N 1 2 269.305 -1.384 20 0 CAADLO CNC(=O)C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCNC2=O)[C@H](OC)C1 ZINC001082019581 776401338 /nfs/dbraw/zinc/40/13/38/776401338.db2.gz FMWIJWAVJZZLHO-OPRDCNLKSA-N 1 2 298.343 -2.316 20 0 CAADLO CNC(=O)C[N@H+]1C[C@@H](NC(=O)[C@@H]2CCNC2=O)[C@H](OC)C1 ZINC001082019581 776401340 /nfs/dbraw/zinc/40/13/40/776401340.db2.gz FMWIJWAVJZZLHO-OPRDCNLKSA-N 1 2 298.343 -2.316 20 0 CAADLO CO[C@@H]1C[N@H+](CCF)C[C@H]1NC(=O)[C@H]1CN(C)C(=O)N1 ZINC001082023744 776401587 /nfs/dbraw/zinc/40/15/87/776401587.db2.gz ULXUBDVWXKIDAC-OPRDCNLKSA-N 1 2 288.323 -1.205 20 0 CAADLO CO[C@@H]1C[N@@H+](CCF)C[C@H]1NC(=O)[C@H]1CN(C)C(=O)N1 ZINC001082023744 776401591 /nfs/dbraw/zinc/40/15/91/776401591.db2.gz ULXUBDVWXKIDAC-OPRDCNLKSA-N 1 2 288.323 -1.205 20 0 CAADLO CO[C@@H]1C[N@@H+]([C@@H](C)C(N)=O)C[C@H]1NC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001082038632 776401684 /nfs/dbraw/zinc/40/16/84/776401684.db2.gz PPLGBFIGKHMEOT-WGWHJZDNSA-N 1 2 297.355 -1.432 20 0 CAADLO CO[C@@H]1C[N@H+]([C@@H](C)C(N)=O)C[C@H]1NC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001082038632 776401685 /nfs/dbraw/zinc/40/16/85/776401685.db2.gz PPLGBFIGKHMEOT-WGWHJZDNSA-N 1 2 297.355 -1.432 20 0 CAADLO CCCOCC(=O)N[C@H]1CC[N@H+](CC(N)=O)C[C@H]1O ZINC001099731873 776402806 /nfs/dbraw/zinc/40/28/06/776402806.db2.gz FIPZOLOBAPWDCD-VHSXEESVSA-N 1 2 273.333 -1.550 20 0 CAADLO CCCOCC(=O)N[C@H]1CC[N@@H+](CC(N)=O)C[C@H]1O ZINC001099731873 776402810 /nfs/dbraw/zinc/40/28/10/776402810.db2.gz FIPZOLOBAPWDCD-VHSXEESVSA-N 1 2 273.333 -1.550 20 0 CAADLO CO[C@@H]1C[N@H+](C[C@H](C)O)C[C@H]1NC(=O)C1=NC(=O)N(C)C1 ZINC001082101323 776403352 /nfs/dbraw/zinc/40/33/52/776403352.db2.gz PWMNHOXVPYGBJT-IQJOONFLSA-N 1 2 298.343 -1.065 20 0 CAADLO CO[C@@H]1C[N@@H+](C[C@H](C)O)C[C@H]1NC(=O)C1=NC(=O)N(C)C1 ZINC001082101323 776403355 /nfs/dbraw/zinc/40/33/55/776403355.db2.gz PWMNHOXVPYGBJT-IQJOONFLSA-N 1 2 298.343 -1.065 20 0 CAADLO CO[C@@H]1C[N@@H+]([C@@H]2CCCNC2=O)C[C@H]1NC(=O)C(N)=O ZINC001082087711 776404154 /nfs/dbraw/zinc/40/41/54/776404154.db2.gz GPBLJLIGTGMJRD-IWSPIJDZSA-N 1 2 284.316 -2.434 20 0 CAADLO CO[C@@H]1C[N@H+]([C@@H]2CCCNC2=O)C[C@H]1NC(=O)C(N)=O ZINC001082087711 776404157 /nfs/dbraw/zinc/40/41/57/776404157.db2.gz GPBLJLIGTGMJRD-IWSPIJDZSA-N 1 2 284.316 -2.434 20 0 CAADLO CO[C@@H]1C[N@H+](Cc2cn(C)nc2C)C[C@H]1NC(=O)C(N)=O ZINC001082086590 776404679 /nfs/dbraw/zinc/40/46/79/776404679.db2.gz GPDJNEZLKOLHNL-GHMZBOCLSA-N 1 2 295.343 -1.471 20 0 CAADLO CO[C@@H]1C[N@@H+](Cc2cn(C)nc2C)C[C@H]1NC(=O)C(N)=O ZINC001082086590 776404680 /nfs/dbraw/zinc/40/46/80/776404680.db2.gz GPDJNEZLKOLHNL-GHMZBOCLSA-N 1 2 295.343 -1.471 20 0 CAADLO CO[C@@H]1C[N@@H+]([C@@H]2CCCN(C)C2=O)C[C@H]1NC(=O)C(N)=O ZINC001082087917 776406039 /nfs/dbraw/zinc/40/60/39/776406039.db2.gz QAGPJGVCZXNSHW-OPRDCNLKSA-N 1 2 298.343 -2.092 20 0 CAADLO CO[C@@H]1C[N@H+]([C@@H]2CCCN(C)C2=O)C[C@H]1NC(=O)C(N)=O ZINC001082087917 776406043 /nfs/dbraw/zinc/40/60/43/776406043.db2.gz QAGPJGVCZXNSHW-OPRDCNLKSA-N 1 2 298.343 -2.092 20 0 CAADLO CO[C@@H]1C[N@@H+]([C@H](C)C(N)=O)C[C@H]1NC(=O)Cc1ncc[nH]1 ZINC001082270637 776408909 /nfs/dbraw/zinc/40/89/09/776408909.db2.gz QBSIDSKHRVQZTJ-OPRDCNLKSA-N 1 2 295.343 -1.359 20 0 CAADLO CO[C@@H]1C[N@H+]([C@H](C)C(N)=O)C[C@H]1NC(=O)Cc1ncc[nH]1 ZINC001082270637 776408914 /nfs/dbraw/zinc/40/89/14/776408914.db2.gz QBSIDSKHRVQZTJ-OPRDCNLKSA-N 1 2 295.343 -1.359 20 0 CAADLO CO[C@@H]1C[N@H+](CCCO)C[C@H]1NC(=O)c1ncn[nH]1 ZINC001082250762 776409061 /nfs/dbraw/zinc/40/90/61/776409061.db2.gz UZIQYALKCVOIBT-RKDXNWHRSA-N 1 2 269.305 -1.384 20 0 CAADLO CO[C@@H]1C[N@@H+](CCCO)C[C@H]1NC(=O)c1ncn[nH]1 ZINC001082250762 776409063 /nfs/dbraw/zinc/40/90/63/776409063.db2.gz UZIQYALKCVOIBT-RKDXNWHRSA-N 1 2 269.305 -1.384 20 0 CAADLO CO[C@@H]1C[N@H+](CCCO)C[C@H]1NC(=O)c1nc[nH]n1 ZINC001082250762 776409066 /nfs/dbraw/zinc/40/90/66/776409066.db2.gz UZIQYALKCVOIBT-RKDXNWHRSA-N 1 2 269.305 -1.384 20 0 CAADLO CO[C@@H]1C[N@@H+](CCCO)C[C@H]1NC(=O)c1nc[nH]n1 ZINC001082250762 776409070 /nfs/dbraw/zinc/40/90/70/776409070.db2.gz UZIQYALKCVOIBT-RKDXNWHRSA-N 1 2 269.305 -1.384 20 0 CAADLO NC(=O)C(=O)N1CCCC[C@H]1CNC(=O)Cc1[nH]cc[nH+]1 ZINC001082263842 776410686 /nfs/dbraw/zinc/41/06/86/776410686.db2.gz WOGPEBYXJLHRRL-VIFPVBQESA-N 1 2 293.327 -1.065 20 0 CAADLO CO[C@@H]1C[N@H+](CCO)C[C@H]1NC(=O)Cc1nnc[nH]1 ZINC001082318034 776411567 /nfs/dbraw/zinc/41/15/67/776411567.db2.gz UTWMIRGRQGUIEU-RKDXNWHRSA-N 1 2 269.305 -1.845 20 0 CAADLO CO[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)Cc1nnc[nH]1 ZINC001082318034 776411571 /nfs/dbraw/zinc/41/15/71/776411571.db2.gz UTWMIRGRQGUIEU-RKDXNWHRSA-N 1 2 269.305 -1.845 20 0 CAADLO NC(=O)C(=O)N1CCCC[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001082264638 776411760 /nfs/dbraw/zinc/41/17/60/776411760.db2.gz JJEVRHKEBQEHOT-JTQLQIEISA-N 1 2 293.327 -1.134 20 0 CAADLO CO[C@@H]1CN(CC(N)=O)C[C@H]1NC(=O)Cc1[nH]c[nH+]c1C ZINC001082345574 776412848 /nfs/dbraw/zinc/41/28/48/776412848.db2.gz QGNSDWGYVFHZKS-GHMZBOCLSA-N 1 2 295.343 -1.439 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)Cc2nc[nH]n2)[C@@H](O)C1 ZINC001083935903 776416811 /nfs/dbraw/zinc/41/68/11/776416811.db2.gz SSUKYWFDCUYRIV-HLTSFMKQSA-N 1 2 296.331 -2.357 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)Cc2nc[nH]n2)[C@@H](O)C1 ZINC001083935903 776416816 /nfs/dbraw/zinc/41/68/16/776416816.db2.gz SSUKYWFDCUYRIV-HLTSFMKQSA-N 1 2 296.331 -2.357 20 0 CAADLO Cn1ccc(C[N@@H+]2CC[C@H](NC(=O)CC(N)=O)[C@@H](O)C2)n1 ZINC001099757597 776419545 /nfs/dbraw/zinc/41/95/45/776419545.db2.gz GYZAGDSRMFEHJZ-QWRGUYRKSA-N 1 2 295.343 -1.653 20 0 CAADLO Cn1ccc(C[N@H+]2CC[C@H](NC(=O)CC(N)=O)[C@@H](O)C2)n1 ZINC001099757597 776419549 /nfs/dbraw/zinc/41/95/49/776419549.db2.gz GYZAGDSRMFEHJZ-QWRGUYRKSA-N 1 2 295.343 -1.653 20 0 CAADLO NC(=O)CC(=O)N[C@H]1CC[N@@H+](CC(N)=O)C[C@H]1O ZINC001099758423 776419782 /nfs/dbraw/zinc/41/97/82/776419782.db2.gz SNPPTVPANSRJJA-NKWVEPMBSA-N 1 2 258.278 -3.102 20 0 CAADLO NC(=O)CC(=O)N[C@H]1CC[N@H+](CC(N)=O)C[C@H]1O ZINC001099758423 776419789 /nfs/dbraw/zinc/41/97/89/776419789.db2.gz SNPPTVPANSRJJA-NKWVEPMBSA-N 1 2 258.278 -3.102 20 0 CAADLO CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CC(N)=O)[C@H](O)C1 ZINC001099758057 776420462 /nfs/dbraw/zinc/42/04/62/776420462.db2.gz NTFIZDNTOZWQPM-RKDXNWHRSA-N 1 2 286.332 -2.451 20 0 CAADLO CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)CC(N)=O)[C@H](O)C1 ZINC001099758057 776420465 /nfs/dbraw/zinc/42/04/65/776420465.db2.gz NTFIZDNTOZWQPM-RKDXNWHRSA-N 1 2 286.332 -2.451 20 0 CAADLO CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CC(N)=O)[C@H](O)C1 ZINC001099758055 776420549 /nfs/dbraw/zinc/42/05/49/776420549.db2.gz NTFIZDNTOZWQPM-DTWKUNHWSA-N 1 2 286.332 -2.451 20 0 CAADLO CCNC(=O)C[N@H+]1CC[C@H](NC(=O)CC(N)=O)[C@H](O)C1 ZINC001099758055 776420551 /nfs/dbraw/zinc/42/05/51/776420551.db2.gz NTFIZDNTOZWQPM-DTWKUNHWSA-N 1 2 286.332 -2.451 20 0 CAADLO CCc1n[nH]cc1C(=O)N[C@H]1CC[N@H+](CC(N)=O)C[C@@H]1O ZINC001090386389 776422991 /nfs/dbraw/zinc/42/29/91/776422991.db2.gz VXYCFXQRJISVPW-QWRGUYRKSA-N 1 2 295.343 -1.378 20 0 CAADLO CCc1n[nH]cc1C(=O)N[C@H]1CC[N@@H+](CC(N)=O)C[C@@H]1O ZINC001090386389 776422997 /nfs/dbraw/zinc/42/29/97/776422997.db2.gz VXYCFXQRJISVPW-QWRGUYRKSA-N 1 2 295.343 -1.378 20 0 CAADLO C[C@@H]1CN(C(=O)Cc2ncn[nH]2)C[C@H]1[NH2+][C@H]1CCNC1=O ZINC001082851039 776423097 /nfs/dbraw/zinc/42/30/97/776423097.db2.gz KKYCLJXMHWTJHD-KXUCPTDWSA-N 1 2 292.343 -1.328 20 0 CAADLO O=C(N[C@@H]1CC[N@@H+](CCF)C[C@@H]1O)c1cn[nH]n1 ZINC001090389275 776427187 /nfs/dbraw/zinc/42/71/87/776427187.db2.gz WDLVIPNUQMKNFC-APPZFPTMSA-N 1 2 257.269 -1.061 20 0 CAADLO O=C(N[C@@H]1CC[N@H+](CCF)C[C@@H]1O)c1cn[nH]n1 ZINC001090389275 776427192 /nfs/dbraw/zinc/42/71/92/776427192.db2.gz WDLVIPNUQMKNFC-APPZFPTMSA-N 1 2 257.269 -1.061 20 0 CAADLO CC[C@H](C(N)=O)[N@@H+]1C[C@H]2OCCN(C(=O)COC)[C@H]2C1 ZINC001082970124 776427205 /nfs/dbraw/zinc/42/72/05/776427205.db2.gz XUFROSSKJLLYPK-OUAUKWLOSA-N 1 2 285.344 -1.192 20 0 CAADLO CC[C@H](C(N)=O)[N@H+]1C[C@H]2OCCN(C(=O)COC)[C@H]2C1 ZINC001082970124 776427212 /nfs/dbraw/zinc/42/72/12/776427212.db2.gz XUFROSSKJLLYPK-OUAUKWLOSA-N 1 2 285.344 -1.192 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1C[C@H]2OCCN(C(=O)CC(N)=O)[C@H]2C1 ZINC001083029950 776429071 /nfs/dbraw/zinc/42/90/71/776429071.db2.gz NWUKJLFMTOBMDN-HRDYMLBCSA-N 1 2 284.316 -2.353 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1C[C@H]2OCCN(C(=O)CC(N)=O)[C@H]2C1 ZINC001083029950 776429079 /nfs/dbraw/zinc/42/90/79/776429079.db2.gz NWUKJLFMTOBMDN-HRDYMLBCSA-N 1 2 284.316 -2.353 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1C[C@H]2OCCN(C(=O)CC(N)=O)[C@H]2C1 ZINC001083029951 776430007 /nfs/dbraw/zinc/43/00/07/776430007.db2.gz NWUKJLFMTOBMDN-XHNCKOQMSA-N 1 2 284.316 -2.353 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1C[C@H]2OCCN(C(=O)CC(N)=O)[C@H]2C1 ZINC001083029951 776430009 /nfs/dbraw/zinc/43/00/09/776430009.db2.gz NWUKJLFMTOBMDN-XHNCKOQMSA-N 1 2 284.316 -2.353 20 0 CAADLO O=C(CCc1nnc[nH]1)N1CCO[C@@H]2C[N@@H+](CCO)C[C@@H]21 ZINC001083041422 776431132 /nfs/dbraw/zinc/43/11/32/776431132.db2.gz IERFYYNMTXRRDX-WDEREUQCSA-N 1 2 295.343 -1.359 20 0 CAADLO O=C(CCc1nnc[nH]1)N1CCO[C@@H]2C[N@H+](CCO)C[C@@H]21 ZINC001083041422 776431134 /nfs/dbraw/zinc/43/11/34/776431134.db2.gz IERFYYNMTXRRDX-WDEREUQCSA-N 1 2 295.343 -1.359 20 0 CAADLO O=C(CCc1nc[nH]n1)N1CCO[C@@H]2C[N@@H+](CCO)C[C@@H]21 ZINC001083041422 776431137 /nfs/dbraw/zinc/43/11/37/776431137.db2.gz IERFYYNMTXRRDX-WDEREUQCSA-N 1 2 295.343 -1.359 20 0 CAADLO O=C(CCc1nc[nH]n1)N1CCO[C@@H]2C[N@H+](CCO)C[C@@H]21 ZINC001083041422 776431138 /nfs/dbraw/zinc/43/11/38/776431138.db2.gz IERFYYNMTXRRDX-WDEREUQCSA-N 1 2 295.343 -1.359 20 0 CAADLO Cc1nn[nH]c1C(=O)N1CCO[C@@H]2C[N@H+](CCO)C[C@@H]21 ZINC001083159973 776434517 /nfs/dbraw/zinc/43/45/17/776434517.db2.gz DEGYTYPJLHXITD-VHSXEESVSA-N 1 2 281.316 -1.369 20 0 CAADLO Cc1nn[nH]c1C(=O)N1CCO[C@@H]2C[N@@H+](CCO)C[C@@H]21 ZINC001083159973 776434522 /nfs/dbraw/zinc/43/45/22/776434522.db2.gz DEGYTYPJLHXITD-VHSXEESVSA-N 1 2 281.316 -1.369 20 0 CAADLO CNC(=O)CC(=O)N[C@H]1CC[N@@H+](CC(=O)NC)C[C@H]1O ZINC001099791799 776435266 /nfs/dbraw/zinc/43/52/66/776435266.db2.gz KZXHAWQCRDSGAJ-DTWKUNHWSA-N 1 2 286.332 -2.580 20 0 CAADLO CNC(=O)CC(=O)N[C@H]1CC[N@H+](CC(=O)NC)C[C@H]1O ZINC001099791799 776435268 /nfs/dbraw/zinc/43/52/68/776435268.db2.gz KZXHAWQCRDSGAJ-DTWKUNHWSA-N 1 2 286.332 -2.580 20 0 CAADLO NC(=O)C(=O)N1CCO[C@@H]2C[N@H+](CCn3cncn3)C[C@@H]21 ZINC001083181720 776436013 /nfs/dbraw/zinc/43/60/13/776436013.db2.gz STDSNVYOVDRGDP-VHSXEESVSA-N 1 2 294.315 -2.325 20 0 CAADLO NC(=O)C(=O)N1CCO[C@@H]2C[N@@H+](CCn3cncn3)C[C@@H]21 ZINC001083181720 776436018 /nfs/dbraw/zinc/43/60/18/776436018.db2.gz STDSNVYOVDRGDP-VHSXEESVSA-N 1 2 294.315 -2.325 20 0 CAADLO NC(=O)C(=O)N1CCO[C@@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@@H]21 ZINC001083179304 776436312 /nfs/dbraw/zinc/43/63/12/776436312.db2.gz PEPNVXBIYUGCKW-HRDYMLBCSA-N 1 2 282.300 -2.728 20 0 CAADLO NC(=O)C(=O)N1CCO[C@@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@@H]21 ZINC001083179304 776436314 /nfs/dbraw/zinc/43/63/14/776436314.db2.gz PEPNVXBIYUGCKW-HRDYMLBCSA-N 1 2 282.300 -2.728 20 0 CAADLO CNC(=O)CN1C[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@@H](O)C1 ZINC001083954376 776437626 /nfs/dbraw/zinc/43/76/26/776437626.db2.gz XGFBUWLTNFBQLS-MNOVXSKESA-N 1 2 295.343 -2.130 20 0 CAADLO Cn1c[nH+]cc1CC(=O)N[C@@H]1CN(CC(N)=O)C[C@@H]1O ZINC001083953903 776438313 /nfs/dbraw/zinc/43/83/13/776438313.db2.gz BMXUYSSRTJJAAX-ZJUUUORDSA-N 1 2 281.316 -2.391 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)c2ccc(=O)[nH]c2)[C@@H](O)C1 ZINC001084019921 776438943 /nfs/dbraw/zinc/43/89/43/776438943.db2.gz PPHQZBFZEVECBE-SFGNSQDASA-N 1 2 294.311 -1.564 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)c2ccc(=O)[nH]c2)[C@@H](O)C1 ZINC001084019921 776438951 /nfs/dbraw/zinc/43/89/51/776438951.db2.gz PPHQZBFZEVECBE-SFGNSQDASA-N 1 2 294.311 -1.564 20 0 CAADLO Cc1ccc(=O)n(CC(=O)N[C@@H]2C[N@H+](CCF)C[C@@H]2O)n1 ZINC001083977113 776439111 /nfs/dbraw/zinc/43/91/11/776439111.db2.gz UZBRZJXCYKEREI-MNOVXSKESA-N 1 2 298.318 -1.317 20 0 CAADLO Cc1ccc(=O)n(CC(=O)N[C@@H]2C[N@@H+](CCF)C[C@@H]2O)n1 ZINC001083977113 776439118 /nfs/dbraw/zinc/43/91/18/776439118.db2.gz UZBRZJXCYKEREI-MNOVXSKESA-N 1 2 298.318 -1.317 20 0 CAADLO O=C(CN1C(=O)CNC1=O)N[C@@H]1C[N@@H+](CCF)C[C@@H]1O ZINC001084035449 776440372 /nfs/dbraw/zinc/44/03/72/776440372.db2.gz TXBDZGIDQPPYHO-SFYZADRCSA-N 1 2 288.279 -2.331 20 0 CAADLO O=C(CN1C(=O)CNC1=O)N[C@@H]1C[N@H+](CCF)C[C@@H]1O ZINC001084035449 776440382 /nfs/dbraw/zinc/44/03/82/776440382.db2.gz TXBDZGIDQPPYHO-SFYZADRCSA-N 1 2 288.279 -2.331 20 0 CAADLO CNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)Cn2cncn2)[C@@H](O)C1 ZINC001084033834 776440516 /nfs/dbraw/zinc/44/05/16/776440516.db2.gz IGIKBZXWGZCQRW-AEJSXWLSSA-N 1 2 296.331 -2.426 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)Cn2cncn2)[C@@H](O)C1 ZINC001084033834 776440522 /nfs/dbraw/zinc/44/05/22/776440522.db2.gz IGIKBZXWGZCQRW-AEJSXWLSSA-N 1 2 296.331 -2.426 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)Cn2cncn2)[C@@H](O)C1 ZINC001084033835 776440877 /nfs/dbraw/zinc/44/08/77/776440877.db2.gz IGIKBZXWGZCQRW-BBBLOLIVSA-N 1 2 296.331 -2.426 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)Cn2cncn2)[C@@H](O)C1 ZINC001084033835 776440879 /nfs/dbraw/zinc/44/08/79/776440879.db2.gz IGIKBZXWGZCQRW-BBBLOLIVSA-N 1 2 296.331 -2.426 20 0 CAADLO O=C(Cn1cncn1)N[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@@H]1O ZINC001084032596 776440914 /nfs/dbraw/zinc/44/09/14/776440914.db2.gz RBPUHKAARGVHQB-BBBLOLIVSA-N 1 2 294.315 -2.672 20 0 CAADLO O=C(Cn1cncn1)N[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@@H]1O ZINC001084032596 776440916 /nfs/dbraw/zinc/44/09/16/776440916.db2.gz RBPUHKAARGVHQB-BBBLOLIVSA-N 1 2 294.315 -2.672 20 0 CAADLO CN(C)C(=O)C[N@H+]1C[C@@H](NC(=O)Cn2cncn2)[C@@H](O)C1 ZINC001084032748 776441107 /nfs/dbraw/zinc/44/11/07/776441107.db2.gz ZAIZPOVBSAXOQC-ZJUUUORDSA-N 1 2 296.331 -2.472 20 0 CAADLO CN(C)C(=O)C[N@@H+]1C[C@@H](NC(=O)Cn2cncn2)[C@@H](O)C1 ZINC001084032748 776441110 /nfs/dbraw/zinc/44/11/10/776441110.db2.gz ZAIZPOVBSAXOQC-ZJUUUORDSA-N 1 2 296.331 -2.472 20 0 CAADLO CC(=O)N1CC[C@H](C(=O)N[C@@H]2C[N@H+](CCF)C[C@@H]2O)C1 ZINC001084003812 776442714 /nfs/dbraw/zinc/44/27/14/776442714.db2.gz NKJRFWJJEVAFBA-TUAOUCFPSA-N 1 2 287.335 -1.014 20 0 CAADLO CC(=O)N1CC[C@H](C(=O)N[C@@H]2C[N@@H+](CCF)C[C@@H]2O)C1 ZINC001084003812 776442720 /nfs/dbraw/zinc/44/27/20/776442720.db2.gz NKJRFWJJEVAFBA-TUAOUCFPSA-N 1 2 287.335 -1.014 20 0 CAADLO O=C(Cc1ccc[nH]1)N[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@@H]1O ZINC001084078611 776443417 /nfs/dbraw/zinc/44/34/17/776443417.db2.gz AGHWQZBRZIHIHG-WOPDTQHZSA-N 1 2 292.339 -1.393 20 0 CAADLO O=C(Cc1ccc[nH]1)N[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@@H]1O ZINC001084078611 776443421 /nfs/dbraw/zinc/44/34/21/776443421.db2.gz AGHWQZBRZIHIHG-WOPDTQHZSA-N 1 2 292.339 -1.393 20 0 CAADLO Cc1c[nH]cc1C(=O)N[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@@H]1O ZINC001084052209 776443624 /nfs/dbraw/zinc/44/36/24/776443624.db2.gz RQZZQLUASQPCGB-UTUOFQBUSA-N 1 2 292.339 -1.013 20 0 CAADLO Cc1c[nH]cc1C(=O)N[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@@H]1O ZINC001084052209 776443626 /nfs/dbraw/zinc/44/36/26/776443626.db2.gz RQZZQLUASQPCGB-UTUOFQBUSA-N 1 2 292.339 -1.013 20 0 CAADLO CN(C)C(=O)C[N@H+]1C[C@@H](NC(=O)Cc2ccc[nH]2)[C@@H](O)C1 ZINC001084078781 776444443 /nfs/dbraw/zinc/44/44/43/776444443.db2.gz IHBKZXGODSAEFV-NEPJUHHUSA-N 1 2 294.355 -1.193 20 0 CAADLO CN(C)C(=O)C[N@@H+]1C[C@@H](NC(=O)Cc2ccc[nH]2)[C@@H](O)C1 ZINC001084078781 776444449 /nfs/dbraw/zinc/44/44/49/776444449.db2.gz IHBKZXGODSAEFV-NEPJUHHUSA-N 1 2 294.355 -1.193 20 0 CAADLO O=C(Cn1cc[nH+]c1)N[C@@H]1CN([C@H]2CCNC2=O)C[C@@H]1O ZINC001084115750 776446877 /nfs/dbraw/zinc/44/68/77/776446877.db2.gz DKJNQNJLILMRFK-VWYCJHECSA-N 1 2 293.327 -2.067 20 0 CAADLO CC[C@H](C(N)=O)N1C[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H](O)C1 ZINC001084115501 776447241 /nfs/dbraw/zinc/44/72/41/776447241.db2.gz UPPFUHDQNCBBBY-MXWKQRLJSA-N 1 2 295.343 -1.692 20 0 CAADLO CC[C@@H](C(N)=O)N1C[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H](O)C1 ZINC001084115502 776447350 /nfs/dbraw/zinc/44/73/50/776447350.db2.gz UPPFUHDQNCBBBY-VWYCJHECSA-N 1 2 295.343 -1.692 20 0 CAADLO O=C(N[C@@H]1C[N@@H+](CCF)C[C@@H]1O)[C@@H]1CCc2nncn2C1 ZINC001084086243 776447384 /nfs/dbraw/zinc/44/73/84/776447384.db2.gz VBAFOHXXZJAPRW-MXWKQRLJSA-N 1 2 297.334 -1.029 20 0 CAADLO O=C(N[C@@H]1C[N@H+](CCF)C[C@@H]1O)[C@@H]1CCc2nncn2C1 ZINC001084086243 776447390 /nfs/dbraw/zinc/44/73/90/776447390.db2.gz VBAFOHXXZJAPRW-MXWKQRLJSA-N 1 2 297.334 -1.029 20 0 CAADLO O=C(Cn1cc[nH+]c1)N[C@@H]1CN(Cc2cnon2)C[C@@H]1O ZINC001084114710 776447612 /nfs/dbraw/zinc/44/76/12/776447612.db2.gz AHGXPBCHNPANCX-MNOVXSKESA-N 1 2 292.299 -1.372 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)c2[nH]cnc2C)[C@@H](O)C1 ZINC001084125858 776448613 /nfs/dbraw/zinc/44/86/13/776448613.db2.gz XXTGXDADLTZBAO-BBBLOLIVSA-N 1 2 295.343 -1.372 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2[nH]cnc2C)[C@@H](O)C1 ZINC001084125858 776448614 /nfs/dbraw/zinc/44/86/14/776448614.db2.gz XXTGXDADLTZBAO-BBBLOLIVSA-N 1 2 295.343 -1.372 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3COCCO3)[C@@H]2C1 ZINC001084202739 776450335 /nfs/dbraw/zinc/45/03/35/776450335.db2.gz WMRUDMCZVKVPEY-GMTAPVOTSA-N 1 2 283.328 -1.580 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3COCCO3)[C@@H]2C1 ZINC001084202739 776450337 /nfs/dbraw/zinc/45/03/37/776450337.db2.gz WMRUDMCZVKVPEY-GMTAPVOTSA-N 1 2 283.328 -1.580 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)c3cn(C)nn3)[C@@H]2C1 ZINC001084323207 776451525 /nfs/dbraw/zinc/45/15/25/776451525.db2.gz HZXMLWFGONSGBJ-MWLCHTKSSA-N 1 2 292.343 -1.293 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)c3cn(C)nn3)[C@@H]2C1 ZINC001084323207 776451529 /nfs/dbraw/zinc/45/15/29/776451529.db2.gz HZXMLWFGONSGBJ-MWLCHTKSSA-N 1 2 292.343 -1.293 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CC[C@@H]2CN(C(=O)c3ncn(C)n3)[C@@H]2C1 ZINC001084319722 776451575 /nfs/dbraw/zinc/45/15/75/776451575.db2.gz FULGVQVPQLAMRZ-IVZWLZJFSA-N 1 2 292.343 -1.165 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CC[C@@H]2CN(C(=O)c3ncn(C)n3)[C@@H]2C1 ZINC001084319722 776451580 /nfs/dbraw/zinc/45/15/80/776451580.db2.gz FULGVQVPQLAMRZ-IVZWLZJFSA-N 1 2 292.343 -1.165 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CC[C@@H]2CN(C(=O)c3cn(C)nn3)[C@@H]2C1 ZINC001084323403 776451593 /nfs/dbraw/zinc/45/15/93/776451593.db2.gz RGQHMAAVRAZURT-IQJOONFLSA-N 1 2 292.343 -1.165 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CC[C@@H]2CN(C(=O)c3cn(C)nn3)[C@@H]2C1 ZINC001084323403 776451595 /nfs/dbraw/zinc/45/15/95/776451595.db2.gz RGQHMAAVRAZURT-IQJOONFLSA-N 1 2 292.343 -1.165 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)CCc3nnc[nH]3)[C@@H]2C1 ZINC001084264303 776451802 /nfs/dbraw/zinc/45/18/02/776451802.db2.gz SPFWMCHCSIXMRJ-NXEZZACHSA-N 1 2 292.343 -1.245 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)CCc3nnc[nH]3)[C@@H]2C1 ZINC001084264303 776451804 /nfs/dbraw/zinc/45/18/04/776451804.db2.gz SPFWMCHCSIXMRJ-NXEZZACHSA-N 1 2 292.343 -1.245 20 0 CAADLO Cn1ccc(CC(=O)N2C[C@H]3CC[N@H+](CC(N)=O)C[C@H]32)n1 ZINC001084337763 776451823 /nfs/dbraw/zinc/45/18/23/776451823.db2.gz WBQHTCGAKZSWCD-ZYHUDNBSSA-N 1 2 291.355 -1.019 20 0 CAADLO Cn1ccc(CC(=O)N2C[C@H]3CC[N@@H+](CC(N)=O)C[C@H]32)n1 ZINC001084337763 776451826 /nfs/dbraw/zinc/45/18/26/776451826.db2.gz WBQHTCGAKZSWCD-ZYHUDNBSSA-N 1 2 291.355 -1.019 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC(=O)N3)[C@@H]2C1 ZINC001084234382 776451888 /nfs/dbraw/zinc/45/18/88/776451888.db2.gz MKKMGZJENLQDTL-OPRDCNLKSA-N 1 2 280.328 -1.717 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC(=O)N3)[C@@H]2C1 ZINC001084234382 776451890 /nfs/dbraw/zinc/45/18/90/776451890.db2.gz MKKMGZJENLQDTL-OPRDCNLKSA-N 1 2 280.328 -1.717 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)Cn3ncnn3)[C@@H]2C1 ZINC001084347318 776452029 /nfs/dbraw/zinc/45/20/29/776452029.db2.gz MYYAIOLHRQCIDD-RKDXNWHRSA-N 1 2 279.304 -2.309 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)Cn3ncnn3)[C@@H]2C1 ZINC001084347318 776452033 /nfs/dbraw/zinc/45/20/33/776452033.db2.gz MYYAIOLHRQCIDD-RKDXNWHRSA-N 1 2 279.304 -2.309 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3COC(=O)N3)[C@@H]2C1 ZINC001084318875 776452284 /nfs/dbraw/zinc/45/22/84/776452284.db2.gz GZQWUXRIHNMGDY-IWSPIJDZSA-N 1 2 282.300 -1.887 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3COC(=O)N3)[C@@H]2C1 ZINC001084318875 776452288 /nfs/dbraw/zinc/45/22/88/776452288.db2.gz GZQWUXRIHNMGDY-IWSPIJDZSA-N 1 2 282.300 -1.887 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCNC(=O)C3)[C@@H]2C1 ZINC001084276490 776452401 /nfs/dbraw/zinc/45/24/01/776452401.db2.gz DGTZWRJTPLICDL-GMTAPVOTSA-N 1 2 294.355 -1.469 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCNC(=O)C3)[C@@H]2C1 ZINC001084276490 776452405 /nfs/dbraw/zinc/45/24/05/776452405.db2.gz DGTZWRJTPLICDL-GMTAPVOTSA-N 1 2 294.355 -1.469 20 0 CAADLO CS(=O)(=O)CC(=O)N1C[C@H]2CC[N@H+](CCCO)C[C@H]21 ZINC001084219978 776452420 /nfs/dbraw/zinc/45/24/20/776452420.db2.gz ZXTKEYJUVOGJOY-GHMZBOCLSA-N 1 2 290.385 -1.054 20 0 CAADLO CS(=O)(=O)CC(=O)N1C[C@H]2CC[N@@H+](CCCO)C[C@H]21 ZINC001084219978 776452425 /nfs/dbraw/zinc/45/24/25/776452425.db2.gz ZXTKEYJUVOGJOY-GHMZBOCLSA-N 1 2 290.385 -1.054 20 0 CAADLO Cc1nnc(CC(=O)N2C[C@H]3CC[N@H+](CC(N)=O)C[C@H]32)[nH]1 ZINC001084335601 776452538 /nfs/dbraw/zinc/45/25/38/776452538.db2.gz SDSAAODTOSHTMQ-NXEZZACHSA-N 1 2 292.343 -1.326 20 0 CAADLO Cc1nnc(CC(=O)N2C[C@H]3CC[N@@H+](CC(N)=O)C[C@H]32)[nH]1 ZINC001084335601 776452544 /nfs/dbraw/zinc/45/25/44/776452544.db2.gz SDSAAODTOSHTMQ-NXEZZACHSA-N 1 2 292.343 -1.326 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CC[C@@H]2CN(C(=O)c3ncn(C)n3)[C@@H]2C1 ZINC001084319723 776452709 /nfs/dbraw/zinc/45/27/09/776452709.db2.gz FULGVQVPQLAMRZ-OPRDCNLKSA-N 1 2 292.343 -1.165 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CC[C@@H]2CN(C(=O)c3ncn(C)n3)[C@@H]2C1 ZINC001084319723 776452712 /nfs/dbraw/zinc/45/27/12/776452712.db2.gz FULGVQVPQLAMRZ-OPRDCNLKSA-N 1 2 292.343 -1.165 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CC[C@@H]2CN(C(=O)c3cn[nH]n3)[C@@H]2C1 ZINC001084479455 776453638 /nfs/dbraw/zinc/45/36/38/776453638.db2.gz IEQPMQQXRBCYPW-QXFUBDJGSA-N 1 2 278.316 -1.175 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CC[C@@H]2CN(C(=O)c3cn[nH]n3)[C@@H]2C1 ZINC001084479455 776453643 /nfs/dbraw/zinc/45/36/43/776453643.db2.gz IEQPMQQXRBCYPW-QXFUBDJGSA-N 1 2 278.316 -1.175 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C[C@@H]3CCNC3=O)[C@@H]2C1 ZINC001084402449 776453779 /nfs/dbraw/zinc/45/37/79/776453779.db2.gz NASBUQWBIRFGSX-HBNTYKKESA-N 1 2 294.355 -1.469 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C[C@@H]3CCNC3=O)[C@@H]2C1 ZINC001084402449 776453780 /nfs/dbraw/zinc/45/37/80/776453780.db2.gz NASBUQWBIRFGSX-HBNTYKKESA-N 1 2 294.355 -1.469 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)Cn3nccn3)[C@@H]2C1 ZINC001084374831 776454014 /nfs/dbraw/zinc/45/40/14/776454014.db2.gz LQMHHPRQYGOQKY-GHMZBOCLSA-N 1 2 292.343 -1.443 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)Cn3nccn3)[C@@H]2C1 ZINC001084374831 776454018 /nfs/dbraw/zinc/45/40/18/776454018.db2.gz LQMHHPRQYGOQKY-GHMZBOCLSA-N 1 2 292.343 -1.443 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCNC3=O)[C@@H]2C1 ZINC001084575671 776455000 /nfs/dbraw/zinc/45/50/00/776455000.db2.gz MYUZTAQJNOEVSY-OUAUKWLOSA-N 1 2 294.355 -1.599 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCNC3=O)[C@@H]2C1 ZINC001084575671 776455002 /nfs/dbraw/zinc/45/50/02/776455002.db2.gz MYUZTAQJNOEVSY-OUAUKWLOSA-N 1 2 294.355 -1.599 20 0 CAADLO COC1(CC(=O)N[C@@H]2CC[N@H+](CC(N)=O)C[C@H]2O)CCC1 ZINC001099807906 776455186 /nfs/dbraw/zinc/45/51/86/776455186.db2.gz XNGVRRUYSXHOGO-GHMZBOCLSA-N 1 2 299.371 -1.018 20 0 CAADLO COC1(CC(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C[C@H]2O)CCC1 ZINC001099807906 776455191 /nfs/dbraw/zinc/45/51/91/776455191.db2.gz XNGVRRUYSXHOGO-GHMZBOCLSA-N 1 2 299.371 -1.018 20 0 CAADLO CN1C[C@@H](C(=O)N2C[C@H]3CC[N@H+](CC(N)=O)C[C@H]32)NC1=O ZINC001084577189 776455243 /nfs/dbraw/zinc/45/52/43/776455243.db2.gz CSMMAGFBIDWYHY-KXUCPTDWSA-N 1 2 295.343 -1.972 20 0 CAADLO CN1C[C@@H](C(=O)N2C[C@H]3CC[N@@H+](CC(N)=O)C[C@H]32)NC1=O ZINC001084577189 776455254 /nfs/dbraw/zinc/45/52/54/776455254.db2.gz CSMMAGFBIDWYHY-KXUCPTDWSA-N 1 2 295.343 -1.972 20 0 CAADLO NC(=O)C(=O)N1C[C@H]2CC[N@H+](CC(=O)N3CCCC3)C[C@H]21 ZINC001084621941 776455592 /nfs/dbraw/zinc/45/55/92/776455592.db2.gz FQSDIVCRVRVHOC-GHMZBOCLSA-N 1 2 294.355 -1.373 20 0 CAADLO NC(=O)C(=O)N1C[C@H]2CC[N@@H+](CC(=O)N3CCCC3)C[C@H]21 ZINC001084621941 776455599 /nfs/dbraw/zinc/45/55/99/776455599.db2.gz FQSDIVCRVRVHOC-GHMZBOCLSA-N 1 2 294.355 -1.373 20 0 CAADLO COC1(CC(=O)N[C@@H]2CC[N@H+](CC(N)=O)C[C@@H]2O)CCC1 ZINC001099807907 776456066 /nfs/dbraw/zinc/45/60/66/776456066.db2.gz XNGVRRUYSXHOGO-MNOVXSKESA-N 1 2 299.371 -1.018 20 0 CAADLO COC1(CC(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C[C@@H]2O)CCC1 ZINC001099807907 776456071 /nfs/dbraw/zinc/45/60/71/776456071.db2.gz XNGVRRUYSXHOGO-MNOVXSKESA-N 1 2 299.371 -1.018 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[C@H]3C(N)=O)[C@@H]2C1 ZINC001084664993 776456465 /nfs/dbraw/zinc/45/64/65/776456465.db2.gz AETFMYKVTCKVKU-CHWFTXMASA-N 1 2 294.355 -1.614 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[C@H]3C(N)=O)[C@@H]2C1 ZINC001084664993 776456470 /nfs/dbraw/zinc/45/64/70/776456470.db2.gz AETFMYKVTCKVKU-CHWFTXMASA-N 1 2 294.355 -1.614 20 0 CAADLO NC(=O)C(=O)N1C[C@H]2CC[N@@H+]([C@@H]3CCCNC3=O)C[C@H]21 ZINC001084624536 776456699 /nfs/dbraw/zinc/45/66/99/776456699.db2.gz TYBMSHUGEQTNMA-OPRDCNLKSA-N 1 2 280.328 -1.717 20 0 CAADLO NC(=O)C(=O)N1C[C@H]2CC[N@H+]([C@@H]3CCCNC3=O)C[C@H]21 ZINC001084624536 776456705 /nfs/dbraw/zinc/45/67/05/776456705.db2.gz TYBMSHUGEQTNMA-OPRDCNLKSA-N 1 2 280.328 -1.717 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CC[C@@H]2CN(C(=O)C3(C(N)=O)CC3)[C@@H]2C1 ZINC001084625825 776456801 /nfs/dbraw/zinc/45/68/01/776456801.db2.gz QQRJNMUIOHSMFQ-OPRDCNLKSA-N 1 2 294.355 -1.342 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CC[C@@H]2CN(C(=O)C3(C(N)=O)CC3)[C@@H]2C1 ZINC001084625825 776456808 /nfs/dbraw/zinc/45/68/08/776456808.db2.gz QQRJNMUIOHSMFQ-OPRDCNLKSA-N 1 2 294.355 -1.342 20 0 CAADLO CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ncc[nH]2)[C@H](O)C1 ZINC001099810462 776456833 /nfs/dbraw/zinc/45/68/33/776456833.db2.gz RGAFQAJCZYYTHV-NXEZZACHSA-N 1 2 295.343 -1.289 20 0 CAADLO CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2ncc[nH]2)[C@H](O)C1 ZINC001099810462 776456843 /nfs/dbraw/zinc/45/68/43/776456843.db2.gz RGAFQAJCZYYTHV-NXEZZACHSA-N 1 2 295.343 -1.289 20 0 CAADLO C[C@@]1(C(=O)N2C[C@H]3CC[N@H+](CC(N)=O)C[C@H]32)CCNC1=O ZINC001084658734 776456861 /nfs/dbraw/zinc/45/68/61/776456861.db2.gz VIJQRZBBDKSHGZ-GPCCPHFNSA-N 1 2 294.355 -1.469 20 0 CAADLO C[C@@]1(C(=O)N2C[C@H]3CC[N@@H+](CC(N)=O)C[C@H]32)CCNC1=O ZINC001084658734 776456866 /nfs/dbraw/zinc/45/68/66/776456866.db2.gz VIJQRZBBDKSHGZ-GPCCPHFNSA-N 1 2 294.355 -1.469 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C3(C(N)=O)CC3)[C@@H]2C1 ZINC001084624925 776457052 /nfs/dbraw/zinc/45/70/52/776457052.db2.gz GMDHFBPSDQJVJH-RKDXNWHRSA-N 1 2 280.328 -1.730 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C3(C(N)=O)CC3)[C@@H]2C1 ZINC001084624925 776457055 /nfs/dbraw/zinc/45/70/55/776457055.db2.gz GMDHFBPSDQJVJH-RKDXNWHRSA-N 1 2 280.328 -1.730 20 0 CAADLO C[C@@H](C(=O)N(C)C)[N@@H+]1CC[C@@H]2CN(C(=O)C(N)=O)[C@@H]2C1 ZINC001084624278 776457091 /nfs/dbraw/zinc/45/70/91/776457091.db2.gz LEXAVWCRRBYTCG-IVZWLZJFSA-N 1 2 282.344 -1.519 20 0 CAADLO C[C@@H](C(=O)N(C)C)[N@H+]1CC[C@@H]2CN(C(=O)C(N)=O)[C@@H]2C1 ZINC001084624278 776457094 /nfs/dbraw/zinc/45/70/94/776457094.db2.gz LEXAVWCRRBYTCG-IVZWLZJFSA-N 1 2 282.344 -1.519 20 0 CAADLO Cn1cc(C(=O)N2C[C@H]3CC[N@H+](CC(N)=O)C[C@H]32)[nH]c1=O ZINC001084633782 776457363 /nfs/dbraw/zinc/45/73/63/776457363.db2.gz TWBJNJTZQPHUOS-PSASIEDQSA-N 1 2 293.327 -1.243 20 0 CAADLO Cn1cc(C(=O)N2C[C@H]3CC[N@@H+](CC(N)=O)C[C@H]32)[nH]c1=O ZINC001084633782 776457364 /nfs/dbraw/zinc/45/73/64/776457364.db2.gz TWBJNJTZQPHUOS-PSASIEDQSA-N 1 2 293.327 -1.243 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)CC(C)(C)O)[C@@H](O)C1 ZINC001099809655 776457383 /nfs/dbraw/zinc/45/73/83/776457383.db2.gz KWSQQJQKOJEXNI-UWVGGRQHSA-N 1 2 287.360 -1.555 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)CC(C)(C)O)[C@@H](O)C1 ZINC001099809655 776457385 /nfs/dbraw/zinc/45/73/85/776457385.db2.gz KWSQQJQKOJEXNI-UWVGGRQHSA-N 1 2 287.360 -1.555 20 0 CAADLO NC(=O)C(=O)N1C[C@H]2CC[N@@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001084623614 776457701 /nfs/dbraw/zinc/45/77/01/776457701.db2.gz ODRBSOKOBGMLLB-HRDYMLBCSA-N 1 2 266.301 -2.107 20 0 CAADLO Cc1nnccc1C(=O)N[C@@H]1CC[N@H+](CC(N)=O)C[C@H]1O ZINC001090399639 776457458 /nfs/dbraw/zinc/45/74/58/776457458.db2.gz OOCZTURYYSZODQ-GHMZBOCLSA-N 1 2 293.327 -1.565 20 0 CAADLO Cc1nnccc1C(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C[C@H]1O ZINC001090399639 776457460 /nfs/dbraw/zinc/45/74/60/776457460.db2.gz OOCZTURYYSZODQ-GHMZBOCLSA-N 1 2 293.327 -1.565 20 0 CAADLO NC(=O)C(=O)N1C[C@H]2CC[N@@H+]([C@H]3CCCNC3=O)C[C@H]21 ZINC001084624534 776457518 /nfs/dbraw/zinc/45/75/18/776457518.db2.gz TYBMSHUGEQTNMA-KXUCPTDWSA-N 1 2 280.328 -1.717 20 0 CAADLO NC(=O)C(=O)N1C[C@H]2CC[N@H+]([C@H]3CCCNC3=O)C[C@H]21 ZINC001084624534 776457522 /nfs/dbraw/zinc/45/75/22/776457522.db2.gz TYBMSHUGEQTNMA-KXUCPTDWSA-N 1 2 280.328 -1.717 20 0 CAADLO NC(=O)C(=O)N1C[C@H]2CC[N@@H+]([C@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001084624354 776457542 /nfs/dbraw/zinc/45/75/42/776457542.db2.gz NOFQPFLKSJVHNZ-HRDYMLBCSA-N 1 2 294.311 -2.190 20 0 CAADLO NC(=O)C(=O)N1C[C@H]2CC[N@H+]([C@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001084624354 776457543 /nfs/dbraw/zinc/45/75/43/776457543.db2.gz NOFQPFLKSJVHNZ-HRDYMLBCSA-N 1 2 294.311 -2.190 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CC[C@@H]2CN(C(=O)C3(C(N)=O)CC3)[C@@H]2C1 ZINC001084625824 776457598 /nfs/dbraw/zinc/45/75/98/776457598.db2.gz QQRJNMUIOHSMFQ-IVZWLZJFSA-N 1 2 294.355 -1.342 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CC[C@@H]2CN(C(=O)C3(C(N)=O)CC3)[C@@H]2C1 ZINC001084625824 776457602 /nfs/dbraw/zinc/45/76/02/776457602.db2.gz QQRJNMUIOHSMFQ-IVZWLZJFSA-N 1 2 294.355 -1.342 20 0 CAADLO CCN1CC[C@H]([N@@H+]2CC[C@@H]3CN(C(=O)C(N)=O)[C@@H]3C2)C1=O ZINC001084624389 776457685 /nfs/dbraw/zinc/45/76/85/776457685.db2.gz OZARYCGXJDVYDH-OUAUKWLOSA-N 1 2 294.355 -1.375 20 0 CAADLO CCN1CC[C@H]([N@H+]2CC[C@@H]3CN(C(=O)C(N)=O)[C@@H]3C2)C1=O ZINC001084624389 776457690 /nfs/dbraw/zinc/45/76/90/776457690.db2.gz OZARYCGXJDVYDH-OUAUKWLOSA-N 1 2 294.355 -1.375 20 0 CAADLO NC(=O)C(=O)N1C[C@H]2CC[N@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001084623614 776457706 /nfs/dbraw/zinc/45/77/06/776457706.db2.gz ODRBSOKOBGMLLB-HRDYMLBCSA-N 1 2 266.301 -2.107 20 0 CAADLO C[C@]1(C(=O)N2C[C@H]3CC[N@H+](CC(N)=O)C[C@H]32)CCNC1=O ZINC001084658735 776457805 /nfs/dbraw/zinc/45/78/05/776457805.db2.gz VIJQRZBBDKSHGZ-RULNRJAQSA-N 1 2 294.355 -1.469 20 0 CAADLO C[C@]1(C(=O)N2C[C@H]3CC[N@@H+](CC(N)=O)C[C@H]32)CCNC1=O ZINC001084658735 776457811 /nfs/dbraw/zinc/45/78/11/776457811.db2.gz VIJQRZBBDKSHGZ-RULNRJAQSA-N 1 2 294.355 -1.469 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)CC2(O)CCC2)[C@@H](O)C1 ZINC001099824494 776458559 /nfs/dbraw/zinc/45/85/59/776458559.db2.gz UJVRCSFSIXSEPP-QWRGUYRKSA-N 1 2 299.371 -1.411 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)CC2(O)CCC2)[C@@H](O)C1 ZINC001099824494 776458566 /nfs/dbraw/zinc/45/85/66/776458566.db2.gz UJVRCSFSIXSEPP-QWRGUYRKSA-N 1 2 299.371 -1.411 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)c3nc[nH]n3)[C@@H]2C1 ZINC001084728542 776458589 /nfs/dbraw/zinc/45/85/89/776458589.db2.gz MVHMLRWOPRAGJT-RKDXNWHRSA-N 1 2 278.316 -1.303 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)c3nc[nH]n3)[C@@H]2C1 ZINC001084728542 776458593 /nfs/dbraw/zinc/45/85/93/776458593.db2.gz MVHMLRWOPRAGJT-RKDXNWHRSA-N 1 2 278.316 -1.303 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CC[C@@H]2CN(C(=O)c3cnn(C)n3)[C@@H]2C1 ZINC001084719592 776458671 /nfs/dbraw/zinc/45/86/71/776458671.db2.gz BWFYFGKNSDRXIF-FXPVBKGRSA-N 1 2 292.343 -1.165 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CC[C@@H]2CN(C(=O)c3cnn(C)n3)[C@@H]2C1 ZINC001084719592 776458675 /nfs/dbraw/zinc/45/86/75/776458675.db2.gz BWFYFGKNSDRXIF-FXPVBKGRSA-N 1 2 292.343 -1.165 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CC[C@@H]2CN(C(=O)c3nc[nH]n3)[C@@H]2C1 ZINC001084729278 776459437 /nfs/dbraw/zinc/45/94/37/776459437.db2.gz WJRLASSLNFQRMP-IWSPIJDZSA-N 1 2 278.316 -1.175 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CC[C@@H]2CN(C(=O)c3nc[nH]n3)[C@@H]2C1 ZINC001084729278 776459439 /nfs/dbraw/zinc/45/94/39/776459439.db2.gz WJRLASSLNFQRMP-IWSPIJDZSA-N 1 2 278.316 -1.175 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)CCn3cnnn3)[C@@H]2C1 ZINC001084738268 776459500 /nfs/dbraw/zinc/45/95/00/776459500.db2.gz ZRPAYPFHBDHUIJ-NXEZZACHSA-N 1 2 293.331 -1.919 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)CCn3cnnn3)[C@@H]2C1 ZINC001084738268 776459503 /nfs/dbraw/zinc/45/95/03/776459503.db2.gz ZRPAYPFHBDHUIJ-NXEZZACHSA-N 1 2 293.331 -1.919 20 0 CAADLO Cn1c[nH+]cc1[C@@H](CO)NC(=O)CN1CCOCC1 ZINC001119594929 776460370 /nfs/dbraw/zinc/46/03/70/776460370.db2.gz BULYYWQRPGGSMH-SNVBAGLBSA-N 1 2 268.317 -1.098 20 0 CAADLO Cn1cncc1C(=O)N[C@@H]1CC[N@H+](CC(N)=O)C[C@H]1O ZINC001090401535 776460829 /nfs/dbraw/zinc/46/08/29/776460829.db2.gz CHDZENXHLXYZER-PSASIEDQSA-N 1 2 281.316 -1.930 20 0 CAADLO Cn1cncc1C(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C[C@H]1O ZINC001090401535 776460835 /nfs/dbraw/zinc/46/08/35/776460835.db2.gz CHDZENXHLXYZER-PSASIEDQSA-N 1 2 281.316 -1.930 20 0 CAADLO Cn1c[nH+]cc1[C@H](CO)NC(=O)CN1CCOCC1 ZINC001119594926 776460949 /nfs/dbraw/zinc/46/09/49/776460949.db2.gz BULYYWQRPGGSMH-JTQLQIEISA-N 1 2 268.317 -1.098 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CC[C@@H]2CN(C(=O)Cc3nnc[nH]3)[C@@H]2C1 ZINC001084766281 776461229 /nfs/dbraw/zinc/46/12/29/776461229.db2.gz QRMMRRPOGDYUNR-IVZWLZJFSA-N 1 2 292.343 -1.246 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CC[C@@H]2CN(C(=O)Cc3nnc[nH]3)[C@@H]2C1 ZINC001084766281 776461234 /nfs/dbraw/zinc/46/12/34/776461234.db2.gz QRMMRRPOGDYUNR-IVZWLZJFSA-N 1 2 292.343 -1.246 20 0 CAADLO Cn1cncc1C(=O)N[C@H]1CC[N@H+](CC(N)=O)C[C@@H]1O ZINC001090401541 776461452 /nfs/dbraw/zinc/46/14/52/776461452.db2.gz CHDZENXHLXYZER-WPRPVWTQSA-N 1 2 281.316 -1.930 20 0 CAADLO Cn1cncc1C(=O)N[C@H]1CC[N@@H+](CC(N)=O)C[C@@H]1O ZINC001090401541 776461454 /nfs/dbraw/zinc/46/14/54/776461454.db2.gz CHDZENXHLXYZER-WPRPVWTQSA-N 1 2 281.316 -1.930 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC(=O)N3)[C@@H]2C1 ZINC001084785925 776461495 /nfs/dbraw/zinc/46/14/95/776461495.db2.gz MKKMGZJENLQDTL-KXUCPTDWSA-N 1 2 280.328 -1.717 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC(=O)N3)[C@@H]2C1 ZINC001084785925 776461497 /nfs/dbraw/zinc/46/14/97/776461497.db2.gz MKKMGZJENLQDTL-KXUCPTDWSA-N 1 2 280.328 -1.717 20 0 CAADLO C[C@H](O)C(=O)N1CC[NH+](C[C@@H]2COCCO2)CC1 ZINC000820621470 776463873 /nfs/dbraw/zinc/46/38/73/776463873.db2.gz JRCPCWRCTOZSGE-WDEREUQCSA-N 1 2 258.318 -1.073 20 0 CAADLO CNC(=O)NCC(=O)N[C@@H]1CC[N@H+](CC(N)=O)C[C@@H]1O ZINC001099859292 776464010 /nfs/dbraw/zinc/46/40/10/776464010.db2.gz ZKTZLDAOMVKWFS-SFYZADRCSA-N 1 2 287.320 -3.048 20 0 CAADLO CNC(=O)NCC(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C[C@@H]1O ZINC001099859292 776464017 /nfs/dbraw/zinc/46/40/17/776464017.db2.gz ZKTZLDAOMVKWFS-SFYZADRCSA-N 1 2 287.320 -3.048 20 0 CAADLO C/C(=C\C(=O)N1CCO[C@H](C(N)=O)C1)C[NH+]1CCOCC1 ZINC000820540336 776464362 /nfs/dbraw/zinc/46/43/62/776464362.db2.gz JMFDMDUUJKZYOU-OBIHZWKSSA-N 1 2 297.355 -1.022 20 0 CAADLO C[C@@H](O)C(=O)N1CC[NH+](C[C@H]2COCCO2)CC1 ZINC000820621467 776464377 /nfs/dbraw/zinc/46/43/77/776464377.db2.gz JRCPCWRCTOZSGE-MNOVXSKESA-N 1 2 258.318 -1.073 20 0 CAADLO C[C@H](C[NH+]1CCOCC1)NC(=O)[C@H]1OCCN(C)C1=O ZINC000821777750 776465466 /nfs/dbraw/zinc/46/54/66/776465466.db2.gz BYEIJFFTWZAZED-GHMZBOCLSA-N 1 2 285.344 -1.320 20 0 CAADLO COC(=O)NCC(=O)N(C)C[C@@H]1CC[N@@H+]1[C@@H](C)C(N)=O ZINC001230915883 776465817 /nfs/dbraw/zinc/46/58/17/776465817.db2.gz JPXGCXOQZGTGPG-IUCAKERBSA-N 1 2 286.332 -1.251 20 0 CAADLO COC(=O)NCC(=O)N(C)C[C@@H]1CC[N@H+]1[C@@H](C)C(N)=O ZINC001230915883 776465822 /nfs/dbraw/zinc/46/58/22/776465822.db2.gz JPXGCXOQZGTGPG-IUCAKERBSA-N 1 2 286.332 -1.251 20 0 CAADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@H]1OCCN(C)C1=O ZINC000821777757 776466979 /nfs/dbraw/zinc/46/69/79/776466979.db2.gz BYEIJFFTWZAZED-WDEREUQCSA-N 1 2 285.344 -1.320 20 0 CAADLO CNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1nc[nH]n1)C2 ZINC001098179196 776467457 /nfs/dbraw/zinc/46/74/57/776467457.db2.gz NRTYFUIEBFSIIO-BBBLOLIVSA-N 1 2 292.343 -1.185 20 0 CAADLO CNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1nc[nH]n1)C2 ZINC001098179196 776467459 /nfs/dbraw/zinc/46/74/59/776467459.db2.gz NRTYFUIEBFSIIO-BBBLOLIVSA-N 1 2 292.343 -1.185 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+]1CC[C@H]1CN(C)C(=O)CC(N)=O ZINC001231402534 776470617 /nfs/dbraw/zinc/47/06/17/776470617.db2.gz VIXVSNVUILUPFN-IUCAKERBSA-N 1 2 270.333 -1.471 20 0 CAADLO CNC(=O)[C@H](C)[N@H+]1CC[C@H]1CN(C)C(=O)CC(N)=O ZINC001231402534 776470621 /nfs/dbraw/zinc/47/06/21/776470621.db2.gz VIXVSNVUILUPFN-IUCAKERBSA-N 1 2 270.333 -1.471 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+]1CC[C@@H]1CN(C)C(=O)CC(N)=O ZINC001231402533 776470739 /nfs/dbraw/zinc/47/07/39/776470739.db2.gz VIXVSNVUILUPFN-DTWKUNHWSA-N 1 2 270.333 -1.471 20 0 CAADLO CNC(=O)[C@H](C)[N@H+]1CC[C@@H]1CN(C)C(=O)CC(N)=O ZINC001231402533 776470744 /nfs/dbraw/zinc/47/07/44/776470744.db2.gz VIXVSNVUILUPFN-DTWKUNHWSA-N 1 2 270.333 -1.471 20 0 CAADLO NC(=O)C(=O)NC[C@@H]1CN(C(=O)Cn2cc[nH+]c2)CCO1 ZINC001065305455 776471954 /nfs/dbraw/zinc/47/19/54/776471954.db2.gz NLHIRKFZKBNNKN-SECBINFHSA-N 1 2 295.299 -2.288 20 0 CAADLO NC(=O)C(=O)NC[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CCO1 ZINC001065522187 776473019 /nfs/dbraw/zinc/47/30/19/776473019.db2.gz SVGCTRPVBMRDFZ-QMMMGPOBSA-N 1 2 295.299 -2.219 20 0 CAADLO NC(=O)C(=O)N1CCO[C@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001065550057 776473222 /nfs/dbraw/zinc/47/32/22/776473222.db2.gz DCIHKGOVWVWGAA-MRVPVSSYSA-N 1 2 295.299 -2.219 20 0 CAADLO NC(=O)C(=O)N1CCO[C@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001065552410 776475198 /nfs/dbraw/zinc/47/51/98/776475198.db2.gz JEVRRWTULWRFCB-SECBINFHSA-N 1 2 295.299 -2.219 20 0 CAADLO NC(=O)C(=O)N1CCO[C@@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001065552411 776475732 /nfs/dbraw/zinc/47/57/32/776475732.db2.gz JEVRRWTULWRFCB-VIFPVBQESA-N 1 2 295.299 -2.219 20 0 CAADLO COCC(=O)NC[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CCO1 ZINC001065676094 776477415 /nfs/dbraw/zinc/47/74/15/776477415.db2.gz VWBDVBACDPFMIQ-LLVKDONJSA-N 1 2 296.327 -1.058 20 0 CAADLO CC(=O)N1CC[C@H]([NH+]2CCN(C(=O)CNC(N)=O)CC2)C1 ZINC001065680505 776478097 /nfs/dbraw/zinc/47/80/97/776478097.db2.gz KFSQEMAKBUHBLJ-NSHDSACASA-N 1 2 297.359 -1.580 20 0 CAADLO NC(=O)NC(=O)C[N@@H+]1CC[C@H](NC(=O)C(N)=O)[C@@H](O)C1 ZINC001099972658 776482274 /nfs/dbraw/zinc/48/22/74/776482274.db2.gz ZXRLWWJKQNDRHJ-WDSKDSINSA-N 1 2 287.276 -3.782 20 0 CAADLO NC(=O)NC(=O)C[N@H+]1CC[C@H](NC(=O)C(N)=O)[C@@H](O)C1 ZINC001099972658 776482279 /nfs/dbraw/zinc/48/22/79/776482279.db2.gz ZXRLWWJKQNDRHJ-WDSKDSINSA-N 1 2 287.276 -3.782 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCNC(=O)C1 ZINC001085543759 776486643 /nfs/dbraw/zinc/48/66/43/776486643.db2.gz DWINJFAMCVHZSR-MNOVXSKESA-N 1 2 296.371 -1.209 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCNC(=O)C1 ZINC001085543759 776486650 /nfs/dbraw/zinc/48/66/50/776486650.db2.gz DWINJFAMCVHZSR-MNOVXSKESA-N 1 2 296.371 -1.209 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCNC(=O)C1 ZINC001085543760 776487161 /nfs/dbraw/zinc/48/71/61/776487161.db2.gz DWINJFAMCVHZSR-QWRGUYRKSA-N 1 2 296.371 -1.209 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCNC(=O)C1 ZINC001085543760 776487162 /nfs/dbraw/zinc/48/71/62/776487162.db2.gz DWINJFAMCVHZSR-QWRGUYRKSA-N 1 2 296.371 -1.209 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CC[C@H]1CN(C)C(=O)c1cc(=O)n(C)o1 ZINC001085569478 776487786 /nfs/dbraw/zinc/48/77/86/776487786.db2.gz KNSRCVZAQMOQPM-IUCAKERBSA-N 1 2 296.327 -1.002 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CC[C@H]1CN(C)C(=O)c1cc(=O)n(C)o1 ZINC001085569478 776487790 /nfs/dbraw/zinc/48/77/90/776487790.db2.gz KNSRCVZAQMOQPM-IUCAKERBSA-N 1 2 296.327 -1.002 20 0 CAADLO O=C(c1cccn2nnnc12)N1CC[NH+](CCO)CC1 ZINC000828760488 776490115 /nfs/dbraw/zinc/49/01/15/776490115.db2.gz SGTXQPDOOSVNQC-UHFFFAOYSA-N 1 2 276.300 -1.126 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCCNC1=O ZINC001085652863 776490225 /nfs/dbraw/zinc/49/02/25/776490225.db2.gz HLLACUIRXPURTI-GHMZBOCLSA-N 1 2 296.371 -1.209 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCCNC1=O ZINC001085652863 776490228 /nfs/dbraw/zinc/49/02/28/776490228.db2.gz HLLACUIRXPURTI-GHMZBOCLSA-N 1 2 296.371 -1.209 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCC(=O)NC1 ZINC001085686993 776491496 /nfs/dbraw/zinc/49/14/96/776491496.db2.gz FQGFHBSQXHQRAB-QWRGUYRKSA-N 1 2 296.371 -1.209 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCC(=O)NC1 ZINC001085686993 776491502 /nfs/dbraw/zinc/49/15/02/776491502.db2.gz FQGFHBSQXHQRAB-QWRGUYRKSA-N 1 2 296.371 -1.209 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCC(=O)NC1 ZINC001085686994 776491785 /nfs/dbraw/zinc/49/17/85/776491785.db2.gz FQGFHBSQXHQRAB-WDEREUQCSA-N 1 2 296.371 -1.209 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCC(=O)NC1 ZINC001085686994 776491790 /nfs/dbraw/zinc/49/17/90/776491790.db2.gz FQGFHBSQXHQRAB-WDEREUQCSA-N 1 2 296.371 -1.209 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CC[C@H]1CN(C)C(=O)c1c[nH]c(=O)cn1 ZINC001085788288 776492659 /nfs/dbraw/zinc/49/26/59/776492659.db2.gz HQPRASXNJJWJNO-BDAKNGLRSA-N 1 2 293.327 -1.210 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CC[C@H]1CN(C)C(=O)c1c[nH]c(=O)cn1 ZINC001085788288 776492663 /nfs/dbraw/zinc/49/26/63/776492663.db2.gz HQPRASXNJJWJNO-BDAKNGLRSA-N 1 2 293.327 -1.210 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)c1c[nH]c(=O)cn1 ZINC001085788775 776492716 /nfs/dbraw/zinc/49/27/16/776492716.db2.gz RRDTUDVIAFRULD-VIFPVBQESA-N 1 2 293.327 -1.338 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)c1c[nH]c(=O)cn1 ZINC001085788775 776492719 /nfs/dbraw/zinc/49/27/19/776492719.db2.gz RRDTUDVIAFRULD-VIFPVBQESA-N 1 2 293.327 -1.338 20 0 CAADLO CC[C@@H](C(N)=O)[N@@H+]1CC[C@H]1CN(C)C(=O)c1nnn(C)n1 ZINC001085771904 776492785 /nfs/dbraw/zinc/49/27/85/776492785.db2.gz MKUPEWGVIKCFOU-IUCAKERBSA-N 1 2 295.347 -1.380 20 0 CAADLO CC[C@@H](C(N)=O)[N@H+]1CC[C@H]1CN(C)C(=O)c1nnn(C)n1 ZINC001085771904 776492789 /nfs/dbraw/zinc/49/27/89/776492789.db2.gz MKUPEWGVIKCFOU-IUCAKERBSA-N 1 2 295.347 -1.380 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCNC1=O ZINC001085763163 776493069 /nfs/dbraw/zinc/49/30/69/776493069.db2.gz WZLJTUWRSZOLCD-ZJUUUORDSA-N 1 2 282.344 -1.599 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCNC1=O ZINC001085763163 776493075 /nfs/dbraw/zinc/49/30/75/776493075.db2.gz WZLJTUWRSZOLCD-ZJUUUORDSA-N 1 2 282.344 -1.599 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCN(C)C1=O ZINC001085770100 776493120 /nfs/dbraw/zinc/49/31/20/776493120.db2.gz YMMOIRSRTFIXTJ-QWRGUYRKSA-N 1 2 296.371 -1.257 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCN(C)C1=O ZINC001085770100 776493124 /nfs/dbraw/zinc/49/31/24/776493124.db2.gz YMMOIRSRTFIXTJ-QWRGUYRKSA-N 1 2 296.371 -1.257 20 0 CAADLO CN(C)C(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCNC1=O ZINC001085762260 776493237 /nfs/dbraw/zinc/49/32/37/776493237.db2.gz DYXPSOPQUQIODI-GHMZBOCLSA-N 1 2 296.371 -1.257 20 0 CAADLO CN(C)C(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCNC1=O ZINC001085762260 776493241 /nfs/dbraw/zinc/49/32/41/776493241.db2.gz DYXPSOPQUQIODI-GHMZBOCLSA-N 1 2 296.371 -1.257 20 0 CAADLO CN(C)C(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CNC(=O)N1 ZINC001085794238 776493672 /nfs/dbraw/zinc/49/36/72/776493672.db2.gz WESNEMUFNXRQCG-VHSXEESVSA-N 1 2 297.359 -1.711 20 0 CAADLO CN(C)C(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CNC(=O)N1 ZINC001085794238 776493678 /nfs/dbraw/zinc/49/36/78/776493678.db2.gz WESNEMUFNXRQCG-VHSXEESVSA-N 1 2 297.359 -1.711 20 0 CAADLO CN(C)C(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001085821938 776493718 /nfs/dbraw/zinc/49/37/18/776493718.db2.gz RGOCEVVULXEPGO-AXFHLTTASA-N 1 2 296.371 -1.271 20 0 CAADLO CN(C)C(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001085821938 776493721 /nfs/dbraw/zinc/49/37/21/776493721.db2.gz RGOCEVVULXEPGO-AXFHLTTASA-N 1 2 296.371 -1.271 20 0 CAADLO CN(C)C(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001085821939 776494050 /nfs/dbraw/zinc/49/40/50/776494050.db2.gz RGOCEVVULXEPGO-MXWKQRLJSA-N 1 2 296.371 -1.271 20 0 CAADLO CN(C)C(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001085821939 776494055 /nfs/dbraw/zinc/49/40/55/776494055.db2.gz RGOCEVVULXEPGO-MXWKQRLJSA-N 1 2 296.371 -1.271 20 0 CAADLO CN(C)C(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CNC(=O)N1 ZINC001085794239 776494521 /nfs/dbraw/zinc/49/45/21/776494521.db2.gz WESNEMUFNXRQCG-ZJUUUORDSA-N 1 2 297.359 -1.711 20 0 CAADLO CN(C)C(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CNC(=O)N1 ZINC001085794239 776494525 /nfs/dbraw/zinc/49/45/25/776494525.db2.gz WESNEMUFNXRQCG-ZJUUUORDSA-N 1 2 297.359 -1.711 20 0 CAADLO O=C(CCc1cnn[nH]1)N[C@H]1CC[N@@H+](CCO)C[C@H]1O ZINC001100011574 776495492 /nfs/dbraw/zinc/49/54/92/776495492.db2.gz REJWWKYOFQGKPC-WDEREUQCSA-N 1 2 283.332 -1.719 20 0 CAADLO O=C(CCc1cnn[nH]1)N[C@H]1CC[N@H+](CCO)C[C@H]1O ZINC001100011574 776495496 /nfs/dbraw/zinc/49/54/96/776495496.db2.gz REJWWKYOFQGKPC-WDEREUQCSA-N 1 2 283.332 -1.719 20 0 CAADLO CNC(=O)C1(C(=O)N[C@@H]2CC[N@H+](CC(N)=O)C[C@H]2O)CC1 ZINC001100033861 776500958 /nfs/dbraw/zinc/50/09/58/776500958.db2.gz MDAWCFXBUIUFPJ-RKDXNWHRSA-N 1 2 298.343 -2.451 20 0 CAADLO CNC(=O)C1(C(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C[C@H]2O)CC1 ZINC001100033861 776500963 /nfs/dbraw/zinc/50/09/63/776500963.db2.gz MDAWCFXBUIUFPJ-RKDXNWHRSA-N 1 2 298.343 -2.451 20 0 CAADLO CNC(=O)C1(C(=O)N[C@H]2CC[N@H+](CC(N)=O)C[C@H]2O)CC1 ZINC001100033859 776501173 /nfs/dbraw/zinc/50/11/73/776501173.db2.gz MDAWCFXBUIUFPJ-DTWKUNHWSA-N 1 2 298.343 -2.451 20 0 CAADLO CNC(=O)C1(C(=O)N[C@H]2CC[N@@H+](CC(N)=O)C[C@H]2O)CC1 ZINC001100033859 776501178 /nfs/dbraw/zinc/50/11/78/776501178.db2.gz MDAWCFXBUIUFPJ-DTWKUNHWSA-N 1 2 298.343 -2.451 20 0 CAADLO O=C(N[C@@H]1CC[N@@H+](CCOCCO)C[C@H]1O)c1nc[nH]n1 ZINC001100039020 776502389 /nfs/dbraw/zinc/50/23/89/776502389.db2.gz OGMWRENROPGRAE-NXEZZACHSA-N 1 2 299.331 -2.021 20 0 CAADLO O=C(N[C@@H]1CC[N@H+](CCOCCO)C[C@H]1O)c1nc[nH]n1 ZINC001100039020 776502395 /nfs/dbraw/zinc/50/23/95/776502395.db2.gz OGMWRENROPGRAE-NXEZZACHSA-N 1 2 299.331 -2.021 20 0 CAADLO CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cnon2)[C@H](O)C1 ZINC001100041283 776503409 /nfs/dbraw/zinc/50/34/09/776503409.db2.gz GWOABWZSYVLBAM-WCBMZHEXSA-N 1 2 297.315 -1.629 20 0 CAADLO CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cnon2)[C@H](O)C1 ZINC001100041283 776503417 /nfs/dbraw/zinc/50/34/17/776503417.db2.gz GWOABWZSYVLBAM-WCBMZHEXSA-N 1 2 297.315 -1.629 20 0 CAADLO Cn1cc(CC(=O)NCCC[NH2+]Cc2nnn(C)n2)cn1 ZINC001155558150 776504856 /nfs/dbraw/zinc/50/48/56/776504856.db2.gz WJYNTMUJEKDHNK-UHFFFAOYSA-N 1 2 292.347 -1.218 20 0 CAADLO Cn1nnnc1C[NH2+][C@H]1C[C@H](CNC(=O)c2cn[nH]n2)C1 ZINC001086413543 776509477 /nfs/dbraw/zinc/50/94/77/776509477.db2.gz LRQHDVSFWNOUKR-ZKCHVHJHSA-N 1 2 291.319 -1.374 20 0 CAADLO Cn1nnnc1C[NH2+][C@H]1C[C@H](CNC(=O)c2cnn[nH]2)C1 ZINC001086413543 776509483 /nfs/dbraw/zinc/50/94/83/776509483.db2.gz LRQHDVSFWNOUKR-ZKCHVHJHSA-N 1 2 291.319 -1.374 20 0 CAADLO C[C@@]1(CNC(=O)c2nnc[nH]2)C[N@H+](CCO)CCO1 ZINC001108287746 776514026 /nfs/dbraw/zinc/51/40/26/776514026.db2.gz YUPWVMLYAJDGAX-LLVKDONJSA-N 1 2 269.305 -1.382 20 0 CAADLO C[C@@]1(CNC(=O)c2nnc[nH]2)C[N@@H+](CCO)CCO1 ZINC001108287746 776514030 /nfs/dbraw/zinc/51/40/30/776514030.db2.gz YUPWVMLYAJDGAX-LLVKDONJSA-N 1 2 269.305 -1.382 20 0 CAADLO Cn1cnnc1C[NH2+]CCCNC(=O)c1nc[nH]n1 ZINC001168789168 776514941 /nfs/dbraw/zinc/51/49/41/776514941.db2.gz KBKMTSIJVAQSTO-UHFFFAOYSA-N 1 2 264.293 -1.157 20 0 CAADLO C[C@@]1(CNC(=O)Cc2nnc[nH]2)C[N@H+](CCCO)CCO1 ZINC001108334455 776515045 /nfs/dbraw/zinc/51/50/45/776515045.db2.gz LLDNRZRMAOEPDC-CYBMUJFWSA-N 1 2 297.359 -1.063 20 0 CAADLO C[C@@]1(CNC(=O)Cc2nnc[nH]2)C[N@@H+](CCCO)CCO1 ZINC001108334455 776515049 /nfs/dbraw/zinc/51/50/49/776515049.db2.gz LLDNRZRMAOEPDC-CYBMUJFWSA-N 1 2 297.359 -1.063 20 0 CAADLO C[C@]1(CNC(=O)Cc2[nH]cc[nH+]2)CN(CC(N)=O)CCO1 ZINC001108304031 776515119 /nfs/dbraw/zinc/51/51/19/776515119.db2.gz AYFSEWMVJDJABR-ZDUSSCGKSA-N 1 2 295.343 -1.355 20 0 CAADLO C[C@@H](O)C[N@@H+]1CCO[C@](C)(CNC(=O)Cc2nnc[nH]2)C1 ZINC001108330957 776515242 /nfs/dbraw/zinc/51/52/42/776515242.db2.gz IXQMJSYTWRAMHV-ZWNOBZJWSA-N 1 2 297.359 -1.065 20 0 CAADLO C[C@@H](O)C[N@H+]1CCO[C@](C)(CNC(=O)Cc2nnc[nH]2)C1 ZINC001108330957 776515245 /nfs/dbraw/zinc/51/52/45/776515245.db2.gz IXQMJSYTWRAMHV-ZWNOBZJWSA-N 1 2 297.359 -1.065 20 0 CAADLO C[C@]1(CNC(=O)c2cnon2)C[N@H+](CCO)CCO1 ZINC001108293825 776515332 /nfs/dbraw/zinc/51/53/32/776515332.db2.gz NSPJCPQKKDYNQN-NSHDSACASA-N 1 2 270.289 -1.117 20 0 CAADLO C[C@]1(CNC(=O)c2cnon2)C[N@@H+](CCO)CCO1 ZINC001108293825 776515336 /nfs/dbraw/zinc/51/53/36/776515336.db2.gz NSPJCPQKKDYNQN-NSHDSACASA-N 1 2 270.289 -1.117 20 0 CAADLO C[C@@]1(CNC(=O)c2cnon2)C[N@H+](CCO)CCO1 ZINC001108293824 776515912 /nfs/dbraw/zinc/51/59/12/776515912.db2.gz NSPJCPQKKDYNQN-LLVKDONJSA-N 1 2 270.289 -1.117 20 0 CAADLO C[C@@]1(CNC(=O)c2cnon2)C[N@@H+](CCO)CCO1 ZINC001108293824 776515916 /nfs/dbraw/zinc/51/59/16/776515916.db2.gz NSPJCPQKKDYNQN-LLVKDONJSA-N 1 2 270.289 -1.117 20 0 CAADLO NC(=O)NC(=O)C[NH+]1CCC(S(N)(=O)=O)CC1 ZINC001168836847 776516640 /nfs/dbraw/zinc/51/66/40/776516640.db2.gz HFKSWIDGZRRPLT-UHFFFAOYSA-N 1 2 264.307 -2.066 20 0 CAADLO C[C@@]1(CNC(=O)Cn2cc[nH+]c2)CN(CC(N)=O)CCO1 ZINC001108436424 776519545 /nfs/dbraw/zinc/51/95/45/776519545.db2.gz QHIRBYNZBPJGKT-CYBMUJFWSA-N 1 2 295.343 -1.425 20 0 CAADLO Cn1nnc(C[NH2+]CCCNC(=O)CCn2cnnn2)n1 ZINC001169109924 776521101 /nfs/dbraw/zinc/52/11/01/776521101.db2.gz GQLUYSWDHLAUPD-UHFFFAOYSA-N 1 2 294.323 -2.117 20 0 CAADLO COC(=O)[C@@H]1C[C@@H](Nc2cc(C(N)=O)ncn2)C[NH2+]1 ZINC001169128984 776522378 /nfs/dbraw/zinc/52/23/78/776522378.db2.gz BBYXMQOULVFUHR-SVRRBLITSA-N 1 2 265.273 -1.109 20 0 CAADLO CN1CCN(c2cc(N[C@@H](CO)C(N)=O)[nH+]cn2)CC1=O ZINC001169324393 776524903 /nfs/dbraw/zinc/52/49/03/776524903.db2.gz OSDYSQRURLZOOT-QMMMGPOBSA-N 1 2 294.315 -1.987 20 0 CAADLO CN1CCN(c2cc(N[C@@H](CO)C(N)=O)nc[nH+]2)CC1=O ZINC001169324393 776524907 /nfs/dbraw/zinc/52/49/07/776524907.db2.gz OSDYSQRURLZOOT-QMMMGPOBSA-N 1 2 294.315 -1.987 20 0 CAADLO C[S@](=O)c1c[nH]c2nc[nH+]c(N[C@@H](CO)C(N)=O)c21 ZINC001169329490 776526947 /nfs/dbraw/zinc/52/69/47/776526947.db2.gz XUPHWRYUDCIMCH-AFAXDDTQSA-N 1 2 283.313 -1.047 20 0 CAADLO C[S@@](=O)c1c[nH]c2nc[nH+]c(N[C@@H](CO)C(N)=O)c21 ZINC001169329492 776527125 /nfs/dbraw/zinc/52/71/25/776527125.db2.gz XUPHWRYUDCIMCH-QJWWWBAISA-N 1 2 283.313 -1.047 20 0 CAADLO CC(=O)N[C@@H]1CC(=O)N(C2C[NH+](CCOCCO)C2)C1 ZINC001108491135 776530388 /nfs/dbraw/zinc/53/03/88/776530388.db2.gz LAOLVNKFVROWDA-LLVKDONJSA-N 1 2 285.344 -1.584 20 0 CAADLO CC(=O)N[C@H]1CC(=O)N(C2C[NH+](CCOCCO)C2)C1 ZINC001108491136 776530575 /nfs/dbraw/zinc/53/05/75/776530575.db2.gz LAOLVNKFVROWDA-NSHDSACASA-N 1 2 285.344 -1.584 20 0 CAADLO Cn1nnnc1C[NH2+]CCCNC(=O)CCc1nc[nH]n1 ZINC001156328541 776531511 /nfs/dbraw/zinc/53/15/11/776531511.db2.gz XCXOLMIHLYZYMC-UHFFFAOYSA-N 1 2 293.335 -1.443 20 0 CAADLO COCCC(=O)N[C@H]1CC(=O)N(C2C[NH+](CCO)C2)C1 ZINC001108496429 776532014 /nfs/dbraw/zinc/53/20/14/776532014.db2.gz JOTGKJHKXLYIAE-JTQLQIEISA-N 1 2 285.344 -1.584 20 0 CAADLO CCO[C@H](C)C(=O)N[C@@H]1CC(=O)N(C2C[NH+](CCO)C2)C1 ZINC001108513649 776532459 /nfs/dbraw/zinc/53/24/59/776532459.db2.gz OVOWCOFTVXEQBS-GHMZBOCLSA-N 1 2 299.371 -1.195 20 0 CAADLO CCO[C@H](C)C(=O)N[C@H]1CC(=O)N(C2C[NH+](CCO)C2)C1 ZINC001108513650 776533210 /nfs/dbraw/zinc/53/32/10/776533210.db2.gz OVOWCOFTVXEQBS-MNOVXSKESA-N 1 2 299.371 -1.195 20 0 CAADLO CCOCC(=O)N[C@H]1CC(=O)N(C2C[NH+](CCO)C2)C1 ZINC001108503905 776533389 /nfs/dbraw/zinc/53/33/89/776533389.db2.gz LAZABJUIGNOUSH-JTQLQIEISA-N 1 2 285.344 -1.584 20 0 CAADLO CC(C)OCC(=O)N[C@@H]1CC(=O)N(C2C[NH+](CCO)C2)C1 ZINC001108522887 776534042 /nfs/dbraw/zinc/53/40/42/776534042.db2.gz YIOLBXGEXWFRFU-LLVKDONJSA-N 1 2 299.371 -1.195 20 0 CAADLO CO[C@@H](C)CC(=O)N[C@@H]1CC(=O)N(C2C[NH+](CCO)C2)C1 ZINC001108517175 776534370 /nfs/dbraw/zinc/53/43/70/776534370.db2.gz DKFUJDCWWRGWHO-WDEREUQCSA-N 1 2 299.371 -1.195 20 0 CAADLO COCCCC(=O)N[C@@H]1CC(=O)N(C2C[NH+](CCO)C2)C1 ZINC001108513345 776534421 /nfs/dbraw/zinc/53/44/21/776534421.db2.gz HKEVPPXDUSUSHL-LLVKDONJSA-N 1 2 299.371 -1.193 20 0 CAADLO CO[C@H](C)C(=O)N[C@H]1CC(=O)N(C2C[NH+](CCO)C2)C1 ZINC001108514464 776534476 /nfs/dbraw/zinc/53/44/76/776534476.db2.gz FBQOCHYNWZXESN-ZJUUUORDSA-N 1 2 285.344 -1.585 20 0 CAADLO COCCCC(=O)N[C@H]1CC(=O)N(C2C[NH+](CCO)C2)C1 ZINC001108513346 776534495 /nfs/dbraw/zinc/53/44/95/776534495.db2.gz HKEVPPXDUSUSHL-NSHDSACASA-N 1 2 299.371 -1.193 20 0 CAADLO COC[C@@H](C)C(=O)N[C@H]1CC(=O)N(C2C[NH+](CCO)C2)C1 ZINC001108523598 776534916 /nfs/dbraw/zinc/53/49/16/776534916.db2.gz MUDLZRROAWLQBF-MNOVXSKESA-N 1 2 299.371 -1.338 20 0 CAADLO CC(C)OCC(=O)N[C@H]1CC(=O)N(C2C[NH+](CCO)C2)C1 ZINC001108522889 776534925 /nfs/dbraw/zinc/53/49/25/776534925.db2.gz YIOLBXGEXWFRFU-NSHDSACASA-N 1 2 299.371 -1.195 20 0 CAADLO COCC[NH+]1CC(N2C[C@@H](NC(=O)CC(N)=O)CC2=O)C1 ZINC001108523992 776534933 /nfs/dbraw/zinc/53/49/33/776534933.db2.gz WVHSQDOXEKBARJ-VIFPVBQESA-N 1 2 298.343 -2.091 20 0 CAADLO CO[C@@H](C)C(=O)N[C@@H]1CC(=O)N(C2C[NH+](CCO)C2)C1 ZINC001108514463 776535032 /nfs/dbraw/zinc/53/50/32/776535032.db2.gz FBQOCHYNWZXESN-VHSXEESVSA-N 1 2 285.344 -1.585 20 0 CAADLO CO[C@@H](C)CC(=O)N[C@H]1CC(=O)N(C2C[NH+](CCO)C2)C1 ZINC001108517174 776535104 /nfs/dbraw/zinc/53/51/04/776535104.db2.gz DKFUJDCWWRGWHO-QWRGUYRKSA-N 1 2 299.371 -1.195 20 0 CAADLO CNC(=O)CC(=O)N[C@@H]1CC(=O)N(C2C[NH+](CCO)C2)C1 ZINC001108534165 776536133 /nfs/dbraw/zinc/53/61/33/776536133.db2.gz IOPYEDKSMOBSMS-SECBINFHSA-N 1 2 298.343 -2.484 20 0 CAADLO CC(C)(O)CC(=O)N[C@H]1CC(=O)N(C2C[NH+](CCO)C2)C1 ZINC001108540577 776536477 /nfs/dbraw/zinc/53/64/77/776536477.db2.gz BOKLPVBEIWSPLB-JTQLQIEISA-N 1 2 299.371 -1.459 20 0 CAADLO CCOCC[NH+]1CC(N2C[C@H](NC(=O)C(N)=O)CC2=O)C1 ZINC001108568380 776538130 /nfs/dbraw/zinc/53/81/30/776538130.db2.gz RKVMCIFSCVYWPL-SECBINFHSA-N 1 2 298.343 -2.091 20 0 CAADLO C[C@@H](CNc1[nH+]cnc2c1cnn2C)NC(=O)C(N)=O ZINC001108684224 776540513 /nfs/dbraw/zinc/54/05/13/776540513.db2.gz KAOJRCQATDXJKG-LURJTMIESA-N 1 2 277.288 -1.235 20 0 CAADLO CC(=O)N[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(N)=O ZINC001108901365 776541763 /nfs/dbraw/zinc/54/17/63/776541763.db2.gz ZQROBENEDUZCHY-VFRUTBLMSA-N 1 2 282.344 -1.282 20 0 CAADLO CC(=O)N[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(N)=O ZINC001108901365 776541767 /nfs/dbraw/zinc/54/17/67/776541767.db2.gz ZQROBENEDUZCHY-VFRUTBLMSA-N 1 2 282.344 -1.282 20 0 CAADLO COCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC(N)=O ZINC001108847514 776541853 /nfs/dbraw/zinc/54/18/53/776541853.db2.gz VDLPJDPXYZOYFM-VGMNWLOBSA-N 1 2 284.316 -1.451 20 0 CAADLO COCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC(N)=O ZINC001108847514 776541857 /nfs/dbraw/zinc/54/18/57/776541857.db2.gz VDLPJDPXYZOYFM-VGMNWLOBSA-N 1 2 284.316 -1.451 20 0 CAADLO CC(=O)NCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(N)=O ZINC001108875346 776542435 /nfs/dbraw/zinc/54/24/35/776542435.db2.gz SVAZOWQHWSPJCM-UTLUCORTSA-N 1 2 268.317 -1.671 20 0 CAADLO CC(=O)NCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(N)=O ZINC001108875346 776542446 /nfs/dbraw/zinc/54/24/46/776542446.db2.gz SVAZOWQHWSPJCM-UTLUCORTSA-N 1 2 268.317 -1.671 20 0 CAADLO CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC(N)=O ZINC001108892411 776542476 /nfs/dbraw/zinc/54/24/76/776542476.db2.gz UMCNQVQTPDFHDC-UTLUCORTSA-N 1 2 298.343 -1.061 20 0 CAADLO CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC(N)=O ZINC001108892411 776542482 /nfs/dbraw/zinc/54/24/82/776542482.db2.gz UMCNQVQTPDFHDC-UTLUCORTSA-N 1 2 298.343 -1.061 20 0 CAADLO CC(=O)N[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(N)=O ZINC001108901364 776542619 /nfs/dbraw/zinc/54/26/19/776542619.db2.gz ZQROBENEDUZCHY-SNXWAXQRSA-N 1 2 282.344 -1.282 20 0 CAADLO CC(=O)N[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(N)=O ZINC001108901364 776542622 /nfs/dbraw/zinc/54/26/22/776542622.db2.gz ZQROBENEDUZCHY-SNXWAXQRSA-N 1 2 282.344 -1.282 20 0 CAADLO NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCn1cncn1)C2 ZINC001108936268 776543996 /nfs/dbraw/zinc/54/39/96/776543996.db2.gz ZPZVUUCGLSRCED-VWYCJHECSA-N 1 2 292.343 -1.125 20 0 CAADLO NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCn1cncn1)C2 ZINC001108936268 776544004 /nfs/dbraw/zinc/54/40/04/776544004.db2.gz ZPZVUUCGLSRCED-VWYCJHECSA-N 1 2 292.343 -1.125 20 0 CAADLO CN(C)c1ccc(N[C@H]2[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)[nH+]c1 ZINC001169975984 776544919 /nfs/dbraw/zinc/54/49/19/776544919.db2.gz LDLPJKIVLRQPSW-JOLIMNQDSA-N 1 2 299.327 -1.641 20 0 CAADLO CN(C)c1ccc(N[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]2O)[nH+]c1 ZINC001169975987 776545027 /nfs/dbraw/zinc/54/50/27/776545027.db2.gz LDLPJKIVLRQPSW-WECGXBHGSA-N 1 2 299.327 -1.641 20 0 CAADLO Cn1cnc(C(=O)NCCC[NH2+]Cc2nnn(C)n2)c1 ZINC001156557331 776545216 /nfs/dbraw/zinc/54/52/16/776545216.db2.gz AQEJTYCDQDKMNS-UHFFFAOYSA-N 1 2 278.320 -1.147 20 0 CAADLO Cc1cc[nH+]c(C)c1N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O ZINC001169975641 776545657 /nfs/dbraw/zinc/54/56/57/776545657.db2.gz JSKCSXVHBBNSLO-JOLIMNQDSA-N 1 2 284.312 -1.090 20 0 CAADLO Cc1nc(N[C@H]2[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)cc[nH+]1 ZINC001169977283 776547303 /nfs/dbraw/zinc/54/73/03/776547303.db2.gz UDCOMYQTRRNMJD-NENRSDFPSA-N 1 2 271.273 -2.003 20 0 CAADLO NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1nnc[nH]1)C2 ZINC001109127834 776549267 /nfs/dbraw/zinc/54/92/67/776549267.db2.gz ZWYCJAPWNIXFRS-UTLUCORTSA-N 1 2 292.343 -1.056 20 0 CAADLO NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1nnc[nH]1)C2 ZINC001109127834 776549274 /nfs/dbraw/zinc/54/92/74/776549274.db2.gz ZWYCJAPWNIXFRS-UTLUCORTSA-N 1 2 292.343 -1.056 20 0 CAADLO C[C@@H](CC(N)=O)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(N)=O ZINC001109599325 776550095 /nfs/dbraw/zinc/55/00/95/776550095.db2.gz FXXYOFLKRVSCMK-JXUBOQSCSA-N 1 2 282.344 -1.295 20 0 CAADLO C[C@@H](CC(N)=O)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(N)=O ZINC001109599325 776550102 /nfs/dbraw/zinc/55/01/02/776550102.db2.gz FXXYOFLKRVSCMK-JXUBOQSCSA-N 1 2 282.344 -1.295 20 0 CAADLO CC(C)(C(N)=O)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(N)=O ZINC001109427051 776550842 /nfs/dbraw/zinc/55/08/42/776550842.db2.gz LXBUDUJAOCXFPH-VGMNWLOBSA-N 1 2 282.344 -1.295 20 0 CAADLO CC(C)(C(N)=O)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(N)=O ZINC001109427051 776550847 /nfs/dbraw/zinc/55/08/47/776550847.db2.gz LXBUDUJAOCXFPH-VGMNWLOBSA-N 1 2 282.344 -1.295 20 0 CAADLO C[C@@H](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(N)=O)NC(N)=O ZINC001109279985 776550903 /nfs/dbraw/zinc/55/09/03/776550903.db2.gz XBTRLUVYKVKUGV-JXUBOQSCSA-N 1 2 297.359 -1.360 20 0 CAADLO C[C@@H](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(N)=O)NC(N)=O ZINC001109279985 776550912 /nfs/dbraw/zinc/55/09/12/776550912.db2.gz XBTRLUVYKVKUGV-JXUBOQSCSA-N 1 2 297.359 -1.360 20 0 CAADLO CNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)C(N)=O)C2 ZINC001109425587 776550944 /nfs/dbraw/zinc/55/09/44/776550944.db2.gz XZXRJAMKDWMWRD-UTLUCORTSA-N 1 2 296.371 -1.035 20 0 CAADLO CNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)C(N)=O)C2 ZINC001109425587 776550950 /nfs/dbraw/zinc/55/09/50/776550950.db2.gz XZXRJAMKDWMWRD-UTLUCORTSA-N 1 2 296.371 -1.035 20 0 CAADLO Cc1nc(N(C)C)nc(NCCCN(C)C(=O)C(N)=O)[nH+]1 ZINC001109601305 776551353 /nfs/dbraw/zinc/55/13/53/776551353.db2.gz RGCYAMNGCLQHJU-UHFFFAOYSA-N 1 2 295.347 -1.008 20 0 CAADLO CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(N)=O)C2 ZINC001109656133 776551381 /nfs/dbraw/zinc/55/13/81/776551381.db2.gz FVHCPRCHAHQYBB-VGMNWLOBSA-N 1 2 268.317 -1.671 20 0 CAADLO CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(N)=O)C2 ZINC001109656133 776551386 /nfs/dbraw/zinc/55/13/86/776551386.db2.gz FVHCPRCHAHQYBB-VGMNWLOBSA-N 1 2 268.317 -1.671 20 0 CAADLO NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CO[C@@H]1CCOC1)C2 ZINC001109282085 776551512 /nfs/dbraw/zinc/55/15/12/776551512.db2.gz XHYQMQBOKBZLBH-WYUUTHIRSA-N 1 2 297.355 -1.001 20 0 CAADLO NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CO[C@@H]1CCOC1)C2 ZINC001109282085 776551518 /nfs/dbraw/zinc/55/15/18/776551518.db2.gz XHYQMQBOKBZLBH-WYUUTHIRSA-N 1 2 297.355 -1.001 20 0 CAADLO NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCn1cnnn1)C2 ZINC001109881121 776551767 /nfs/dbraw/zinc/55/17/67/776551767.db2.gz CQAIXZZMEYUFOK-UTLUCORTSA-N 1 2 293.331 -1.730 20 0 CAADLO NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCn1cnnn1)C2 ZINC001109881121 776551777 /nfs/dbraw/zinc/55/17/77/776551777.db2.gz CQAIXZZMEYUFOK-UTLUCORTSA-N 1 2 293.331 -1.730 20 0 CAADLO CN(C)C(=O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(N)=O ZINC001109812584 776552886 /nfs/dbraw/zinc/55/28/86/776552886.db2.gz FSPUAEGRJTYSDJ-UTLUCORTSA-N 1 2 282.344 -1.329 20 0 CAADLO CN(C)C(=O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(N)=O ZINC001109812584 776552887 /nfs/dbraw/zinc/55/28/87/776552887.db2.gz FSPUAEGRJTYSDJ-UTLUCORTSA-N 1 2 282.344 -1.329 20 0 CAADLO NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCNC(N)=O)C2 ZINC001110079784 776554377 /nfs/dbraw/zinc/55/43/77/776554377.db2.gz VGLKFDZNKSPKPJ-VGMNWLOBSA-N 1 2 283.332 -1.748 20 0 CAADLO NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCNC(N)=O)C2 ZINC001110079784 776554389 /nfs/dbraw/zinc/55/43/89/776554389.db2.gz VGLKFDZNKSPKPJ-VGMNWLOBSA-N 1 2 283.332 -1.748 20 0 CAADLO CC(=O)NCC(=O)N1CC[NH+](CCn2cncn2)CC1 ZINC001112599872 776556083 /nfs/dbraw/zinc/55/60/83/776556083.db2.gz ZQOYGDYESWCNHW-UHFFFAOYSA-N 1 2 280.332 -1.442 20 0 CAADLO CC(=O)NCC(=O)N1CC[NH+](CCN2CCCC2=O)CC1 ZINC001112599386 776556236 /nfs/dbraw/zinc/55/62/36/776556236.db2.gz ALJXYKCHIDZERH-UHFFFAOYSA-N 1 2 296.371 -1.111 20 0 CAADLO Cn1nnc(C[NH2+]CCCNC(=O)c2cc(=O)n(C)o2)n1 ZINC001157127209 776556509 /nfs/dbraw/zinc/55/65/09/776556509.db2.gz DDBGIQZCVHFBMW-UHFFFAOYSA-N 1 2 295.303 -1.589 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cc(F)c[nH]2)[C@@H](O)C1 ZINC001090440120 776556551 /nfs/dbraw/zinc/55/65/51/776556551.db2.gz ZJUIKXASVFQWEN-WPRPVWTQSA-N 1 2 284.291 -1.196 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)c2cc(F)c[nH]2)[C@@H](O)C1 ZINC001090440120 776556553 /nfs/dbraw/zinc/55/65/53/776556553.db2.gz ZJUIKXASVFQWEN-WPRPVWTQSA-N 1 2 284.291 -1.196 20 0 CAADLO O=C([C@H]1COCCO1)N1CC[NH+](CCOCCO)CC1 ZINC001112619748 776560243 /nfs/dbraw/zinc/56/02/43/776560243.db2.gz PUSOBYFVIUWICV-GFCCVEGCSA-N 1 2 288.344 -1.445 20 0 CAADLO Cc1nc(N2CCC(CO)(NC(=O)C(N)=O)CC2)cc[nH+]1 ZINC001112673205 776561901 /nfs/dbraw/zinc/56/19/01/776561901.db2.gz CKAGNPHQYCNKPV-UHFFFAOYSA-N 1 2 293.327 -1.282 20 0 CAADLO O=C([C@H]1CCC(=O)N1)N1CC[NH+](CCOCCO)CC1 ZINC001112695937 776563563 /nfs/dbraw/zinc/56/35/63/776563563.db2.gz GABPCBXNVPSYRV-LLVKDONJSA-N 1 2 285.344 -1.582 20 0 CAADLO COC[C@@H](O)C[NH+]1CCN(C(=O)c2nnn(C)c2C)CC1 ZINC001112738918 776566239 /nfs/dbraw/zinc/56/62/39/776566239.db2.gz QJOZLABOQJHNFF-NSHDSACASA-N 1 2 297.359 -1.111 20 0 CAADLO COC[C@@H](O)C[NH+]1CCN(C(=O)CCc2nnc[nH]2)CC1 ZINC001112757715 776566948 /nfs/dbraw/zinc/56/69/48/776566948.db2.gz UBUYCRBBKSMYJH-NSHDSACASA-N 1 2 297.359 -1.111 20 0 CAADLO COC[C@H](O)C[NH+]1CCN(C(=O)CCc2nnc[nH]2)CC1 ZINC001112757714 776567027 /nfs/dbraw/zinc/56/70/27/776567027.db2.gz UBUYCRBBKSMYJH-LLVKDONJSA-N 1 2 297.359 -1.111 20 0 CAADLO O=C([C@@H]1CCNC(=O)C1)N1CC[NH+](CCOCCO)CC1 ZINC001112766086 776567745 /nfs/dbraw/zinc/56/77/45/776567745.db2.gz KVMZZRIAJXJRMC-GFCCVEGCSA-N 1 2 299.371 -1.334 20 0 CAADLO C[C@H](C(=O)N1CC[NH+](CCOCCO)CC1)n1cncn1 ZINC001112770057 776567795 /nfs/dbraw/zinc/56/77/95/776567795.db2.gz BESUUYFFICUDAB-GFCCVEGCSA-N 1 2 297.359 -1.008 20 0 CAADLO COC[C@H](O)C[NH+]1CCN(C(=O)c2cnnn2C)CC1 ZINC001112815187 776570339 /nfs/dbraw/zinc/57/03/39/776570339.db2.gz HSWXEQQSJXSZLO-SNVBAGLBSA-N 1 2 283.332 -1.420 20 0 CAADLO Cn1nncc1C(=O)N1CC[NH+](CCOCCO)CC1 ZINC001112815269 776570594 /nfs/dbraw/zinc/57/05/94/776570594.db2.gz LAZZYQWFSOAERX-UHFFFAOYSA-N 1 2 283.332 -1.418 20 0 CAADLO COC[C@H](O)C[NH+]1CCN(C(=O)c2ncn(C)n2)CC1 ZINC001112818670 776570661 /nfs/dbraw/zinc/57/06/61/776570661.db2.gz PGIHPZAEJKRXLA-SNVBAGLBSA-N 1 2 283.332 -1.420 20 0 CAADLO Cn1oc(C(=O)N2CC[NH+](CCOCCO)CC2)cc1=O ZINC001112798111 776570683 /nfs/dbraw/zinc/57/06/83/776570683.db2.gz ORBQZVOMFGJTGB-UHFFFAOYSA-N 1 2 299.327 -1.255 20 0 CAADLO COC[C@H](O)C[NH+]1CCN(C(=O)c2cn(C)nn2)CC1 ZINC001112817346 776572315 /nfs/dbraw/zinc/57/23/15/776572315.db2.gz GXHCNRRAMXUZMX-SNVBAGLBSA-N 1 2 283.332 -1.420 20 0 CAADLO Cc1nnc(CC(=O)N2CC[NH+](CCOCCO)CC2)[nH]1 ZINC001112831082 776572521 /nfs/dbraw/zinc/57/25/21/776572521.db2.gz QKWIKOVMVRRJKU-UHFFFAOYSA-N 1 2 297.359 -1.191 20 0 CAADLO CC(C)(C(N)=O)C(=O)N1CC[NH+](CCOCCO)CC1 ZINC001112985721 776575819 /nfs/dbraw/zinc/57/58/19/776575819.db2.gz OGFMUHPZXATEHM-UHFFFAOYSA-N 1 2 287.360 -1.349 20 0 CAADLO CNC(=O)NCC(=O)N1CC[NH+](CCn2cccn2)CC1 ZINC001112927082 776575854 /nfs/dbraw/zinc/57/58/54/776575854.db2.gz YLYQFLMEQGNMIE-UHFFFAOYSA-N 1 2 294.359 -1.044 20 0 CAADLO COC[C@H](O)C[NH+]1CCN(C(=O)c2cn[nH]n2)CC1 ZINC001113062058 776576566 /nfs/dbraw/zinc/57/65/66/776576566.db2.gz GIMZYGCWEOLVAB-SECBINFHSA-N 1 2 269.305 -1.430 20 0 CAADLO Cn1cc([C@H]2CN(C(=O)C3(O)COC3)CC[NH2+]2)cn1 ZINC001170113289 776576731 /nfs/dbraw/zinc/57/67/31/776576731.db2.gz XMSDWIHNYMANJE-SNVBAGLBSA-N 1 2 266.301 -1.346 20 0 CAADLO O=C(NCC(F)F)C(=O)N1CC[NH+](CCCO)CC1 ZINC001113059188 776577660 /nfs/dbraw/zinc/57/76/60/776577660.db2.gz SDIOHWZKLYAOAJ-UHFFFAOYSA-N 1 2 279.287 -1.106 20 0 CAADLO O=C([C@@H]1CCNC1=O)N1CC[NH+](CCOCCO)CC1 ZINC001113188419 776579080 /nfs/dbraw/zinc/57/90/80/776579080.db2.gz GNXQAYQFZGOLQP-LLVKDONJSA-N 1 2 285.344 -1.724 20 0 CAADLO COC[C@@H](O)C[NH+]1CCN(C(=O)c2n[nH]nc2C)CC1 ZINC001113181797 776579302 /nfs/dbraw/zinc/57/93/02/776579302.db2.gz HNCYZKQFMRRFGE-JTQLQIEISA-N 1 2 283.332 -1.122 20 0 CAADLO C[C@@]1(C(=O)N2CC[NH+](CCOCCO)CC2)CNC(=O)C1 ZINC001113136630 776579357 /nfs/dbraw/zinc/57/93/57/776579357.db2.gz DSKRJANGOPAMIP-AWEZNQCLSA-N 1 2 299.371 -1.334 20 0 CAADLO COC[C@H](O)C[NH+]1CCN(C(=O)c2nnn(C)n2)CC1 ZINC001113207142 776580619 /nfs/dbraw/zinc/58/06/19/776580619.db2.gz DNEPZVJFVNJNLO-SECBINFHSA-N 1 2 284.320 -2.025 20 0 CAADLO CN1C(=O)CC[C@H]1C(=O)N1CC[NH+](CCOCCO)CC1 ZINC001113207334 776580831 /nfs/dbraw/zinc/58/08/31/776580831.db2.gz MZHDWNCBNXWHHY-LBPRGKRZSA-N 1 2 299.371 -1.240 20 0 CAADLO O=C(c1c[nH]c(=O)cn1)N1CC[NH+](CCOCCO)CC1 ZINC001113265310 776582041 /nfs/dbraw/zinc/58/20/41/776582041.db2.gz MRVTVBNZAUUKNP-UHFFFAOYSA-N 1 2 296.327 -1.463 20 0 CAADLO CC(C)COC[C@H](O)C[NH+]1CCN(C(=O)C(N)=O)CC1 ZINC001113280083 776582094 /nfs/dbraw/zinc/58/20/94/776582094.db2.gz XCJBRQFUKDBELM-LLVKDONJSA-N 1 2 287.360 -1.351 20 0 CAADLO NC(=O)C1(C(=O)N2CC[NH+](CCOCCO)CC2)CC1 ZINC001113278919 776582109 /nfs/dbraw/zinc/58/21/09/776582109.db2.gz XBCJJJVKQXFANZ-UHFFFAOYSA-N 1 2 285.344 -1.595 20 0 CAADLO COCCOC[C@@H](O)C[NH+]1CCN(C(=O)C(N)=O)CC1 ZINC001113278297 776583041 /nfs/dbraw/zinc/58/30/41/776583041.db2.gz GMJMXGQEPYCWIL-JTQLQIEISA-N 1 2 289.332 -2.360 20 0 CAADLO O=C([C@H]1CNC(=O)N1)N1CC[NH+](CCOCCO)CC1 ZINC001113275589 776583237 /nfs/dbraw/zinc/58/32/37/776583237.db2.gz RYKJIQXMAOBURP-SNVBAGLBSA-N 1 2 286.332 -2.179 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2csnn2)[C@H](O)C1 ZINC001090451063 776584340 /nfs/dbraw/zinc/58/43/40/776584340.db2.gz DYFVMEANMZXIOI-VXNVDRBHSA-N 1 2 299.356 -1.551 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2csnn2)[C@H](O)C1 ZINC001090451063 776584344 /nfs/dbraw/zinc/58/43/44/776584344.db2.gz DYFVMEANMZXIOI-VXNVDRBHSA-N 1 2 299.356 -1.551 20 0 CAADLO COC[C@H](OC)C(=O)N1CC[NH+](CCOCCO)CC1 ZINC001113328959 776584682 /nfs/dbraw/zinc/58/46/82/776584682.db2.gz SYMKBVWVQLMMEJ-LBPRGKRZSA-N 1 2 290.360 -1.199 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2csnn2)[C@H](O)C1 ZINC001090451062 776584876 /nfs/dbraw/zinc/58/48/76/776584876.db2.gz DYFVMEANMZXIOI-IONNQARKSA-N 1 2 299.356 -1.551 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)c2csnn2)[C@H](O)C1 ZINC001090451062 776584885 /nfs/dbraw/zinc/58/48/85/776584885.db2.gz DYFVMEANMZXIOI-IONNQARKSA-N 1 2 299.356 -1.551 20 0 CAADLO COC[C@@H](O)C[NH+]1CCN(C(=O)CCc2cn[nH]n2)CC1 ZINC001113357909 776585307 /nfs/dbraw/zinc/58/53/07/776585307.db2.gz VAHJTINBWOFMQI-LBPRGKRZSA-N 1 2 297.359 -1.111 20 0 CAADLO COC[C@@H](O)C[NH+]1CCN(C(=O)CCc2c[nH]nn2)CC1 ZINC001113357909 776585311 /nfs/dbraw/zinc/58/53/11/776585311.db2.gz VAHJTINBWOFMQI-LBPRGKRZSA-N 1 2 297.359 -1.111 20 0 CAADLO COC[C@@H](OC)C(=O)N1CC[NH+](CCOCCO)CC1 ZINC001113328958 776585413 /nfs/dbraw/zinc/58/54/13/776585413.db2.gz SYMKBVWVQLMMEJ-GFCCVEGCSA-N 1 2 290.360 -1.199 20 0 CAADLO COCCOCC[NH+]1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)CC1 ZINC001113351116 776585672 /nfs/dbraw/zinc/58/56/72/776585672.db2.gz MLUVMQDRKQVDSY-NEPJUHHUSA-N 1 2 299.371 -1.085 20 0 CAADLO O=C(c1nc[nH]n1)N1CC[NH+](CCOCCO)CC1 ZINC001113442669 776586896 /nfs/dbraw/zinc/58/68/96/776586896.db2.gz AUCFESMTDAJUQD-UHFFFAOYSA-N 1 2 269.305 -1.429 20 0 CAADLO COC[C@H](O)C[NH+]1CCN(C(=O)c2cnon2)CC1 ZINC001113444082 776586942 /nfs/dbraw/zinc/58/69/42/776586942.db2.gz OITMBXYLKRVFAC-SECBINFHSA-N 1 2 270.289 -1.165 20 0 CAADLO O=C(CCn1cnnn1)N1CC[NH+](CCOCCO)CC1 ZINC001113453252 776588577 /nfs/dbraw/zinc/58/85/77/776588577.db2.gz SEFJKTUXEHGDJH-UHFFFAOYSA-N 1 2 298.347 -1.784 20 0 CAADLO CNS(=O)(=O)CC(=O)N1CC[NH+](C[C@H](C)OC)CC1 ZINC001113643021 776589882 /nfs/dbraw/zinc/58/98/82/776589882.db2.gz VZZKOYKKQWXLTB-JTQLQIEISA-N 1 2 293.389 -1.285 20 0 CAADLO CNS(=O)(=O)CC(=O)N1CC[NH+]([C@@H](C)COC)CC1 ZINC001113642867 776590109 /nfs/dbraw/zinc/59/01/09/776590109.db2.gz NVYASZZIGHJFMT-JTQLQIEISA-N 1 2 293.389 -1.285 20 0 CAADLO CNS(=O)(=O)CC(=O)N1CC[NH+]([C@H](C)COC)CC1 ZINC001113642868 776590536 /nfs/dbraw/zinc/59/05/36/776590536.db2.gz NVYASZZIGHJFMT-SNVBAGLBSA-N 1 2 293.389 -1.285 20 0 CAADLO CNS(=O)(=O)CC(=O)N1CC[NH+](C[C@@H](C)OC)CC1 ZINC001113643022 776590763 /nfs/dbraw/zinc/59/07/63/776590763.db2.gz VZZKOYKKQWXLTB-SNVBAGLBSA-N 1 2 293.389 -1.285 20 0 CAADLO COc1nc(C(=O)N[C@H]2CC[N@H+](CC(N)=O)C[C@H]2O)co1 ZINC001090460160 776591569 /nfs/dbraw/zinc/59/15/69/776591569.db2.gz PDLWUYCEUPCYIQ-IONNQARKSA-N 1 2 298.299 -1.667 20 0 CAADLO COc1nc(C(=O)N[C@H]2CC[N@@H+](CC(N)=O)C[C@H]2O)co1 ZINC001090460160 776591577 /nfs/dbraw/zinc/59/15/77/776591577.db2.gz PDLWUYCEUPCYIQ-IONNQARKSA-N 1 2 298.299 -1.667 20 0 CAADLO CNC(=O)NC(C)(C)C(=O)N1CC[NH+](CCO)CC1 ZINC001113681154 776592038 /nfs/dbraw/zinc/59/20/38/776592038.db2.gz HMRUGCVYKWLQFL-UHFFFAOYSA-N 1 2 272.349 -1.170 20 0 CAADLO CC(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)N[C@@H](C)C(=O)N(C)C)C[C@H]21 ZINC001113753157 776593652 /nfs/dbraw/zinc/59/36/52/776593652.db2.gz VXTVHLDINSYSMM-MVVXRAEJSA-N 1 2 296.371 -1.354 20 0 CAADLO CC(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)N[C@@H](C)C(=O)N(C)C)C[C@H]21 ZINC001113753157 776593658 /nfs/dbraw/zinc/59/36/58/776593658.db2.gz VXTVHLDINSYSMM-MVVXRAEJSA-N 1 2 296.371 -1.354 20 0 CAADLO CC(=O)NCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cnon3)C[C@H]21 ZINC001113793874 776596088 /nfs/dbraw/zinc/59/60/88/776596088.db2.gz SQTJVAZHFBOCQS-IAZYJMLFSA-N 1 2 279.300 -1.248 20 0 CAADLO CC(=O)NCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cnon3)C[C@H]21 ZINC001113793874 776596100 /nfs/dbraw/zinc/59/61/00/776596100.db2.gz SQTJVAZHFBOCQS-IAZYJMLFSA-N 1 2 279.300 -1.248 20 0 CAADLO CCOCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3nc(=O)n(C)[nH]3)C[C@H]21 ZINC001113818516 776598525 /nfs/dbraw/zinc/59/85/25/776598525.db2.gz DKKPDLSXIIQZDC-GDGBQDQQSA-N 1 2 295.343 -1.309 20 0 CAADLO CCOCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3nc(=O)n(C)[nH]3)C[C@H]21 ZINC001113818516 776598528 /nfs/dbraw/zinc/59/85/28/776598528.db2.gz DKKPDLSXIIQZDC-GDGBQDQQSA-N 1 2 295.343 -1.309 20 0 CAADLO CN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)c2cnco2)[C@@H](O)C1 ZINC001090465728 776598620 /nfs/dbraw/zinc/59/86/20/776598620.db2.gz HRXIXYOKMONTPQ-UWVGGRQHSA-N 1 2 296.327 -1.072 20 0 CAADLO CN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)c2cnco2)[C@@H](O)C1 ZINC001090465728 776598623 /nfs/dbraw/zinc/59/86/23/776598623.db2.gz HRXIXYOKMONTPQ-UWVGGRQHSA-N 1 2 296.327 -1.072 20 0 CAADLO CN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cnco2)[C@H](O)C1 ZINC001090465727 776599092 /nfs/dbraw/zinc/59/90/92/776599092.db2.gz HRXIXYOKMONTPQ-NXEZZACHSA-N 1 2 296.327 -1.072 20 0 CAADLO CN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)c2cnco2)[C@H](O)C1 ZINC001090465727 776599100 /nfs/dbraw/zinc/59/91/00/776599100.db2.gz HRXIXYOKMONTPQ-NXEZZACHSA-N 1 2 296.327 -1.072 20 0 CAADLO COC(=O)C1([NH2+]CCCS(N)(=O)=O)CCOCC1 ZINC001170308493 776600140 /nfs/dbraw/zinc/60/01/40/776600140.db2.gz UBYRYVBOKPCESB-UHFFFAOYSA-N 1 2 280.346 -1.023 20 0 CAADLO NC(=O)NCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccon3)C[C@H]21 ZINC001113841940 776601349 /nfs/dbraw/zinc/60/13/49/776601349.db2.gz JZIWAXPNJXDTII-JZYVYDRUSA-N 1 2 279.300 -1.111 20 0 CAADLO NC(=O)NCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccon3)C[C@H]21 ZINC001113841940 776601354 /nfs/dbraw/zinc/60/13/54/776601354.db2.gz JZIWAXPNJXDTII-JZYVYDRUSA-N 1 2 279.300 -1.111 20 0 CAADLO NC(=O)NCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cnns3)C[C@H]21 ZINC001113851034 776602048 /nfs/dbraw/zinc/60/20/48/776602048.db2.gz AJMKKIYOQAWMME-MBTKJCJQSA-N 1 2 296.356 -1.247 20 0 CAADLO NC(=O)NCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cnns3)C[C@H]21 ZINC001113851034 776602054 /nfs/dbraw/zinc/60/20/54/776602054.db2.gz AJMKKIYOQAWMME-MBTKJCJQSA-N 1 2 296.356 -1.247 20 0 CAADLO Cn1ccnc1C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CNC(N)=O ZINC001113848342 776603084 /nfs/dbraw/zinc/60/30/84/776603084.db2.gz APPNYIXXYMUJBL-GDGBQDQQSA-N 1 2 292.343 -1.365 20 0 CAADLO Cn1ccnc1C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CNC(N)=O ZINC001113848342 776603092 /nfs/dbraw/zinc/60/30/92/776603092.db2.gz APPNYIXXYMUJBL-GDGBQDQQSA-N 1 2 292.343 -1.365 20 0 CAADLO Cn1cc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CNC(N)=O)nn1 ZINC001113850671 776603758 /nfs/dbraw/zinc/60/37/58/776603758.db2.gz WPSIUJFXPAFTAL-JZYVYDRUSA-N 1 2 293.331 -1.970 20 0 CAADLO Cn1cc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CNC(N)=O)nn1 ZINC001113850671 776603761 /nfs/dbraw/zinc/60/37/61/776603761.db2.gz WPSIUJFXPAFTAL-JZYVYDRUSA-N 1 2 293.331 -1.970 20 0 CAADLO Cc1n[nH]cc1C(=O)N[C@@H]1CC[N@H+](CC(N)=O)C[C@H]1O ZINC001090474076 776607575 /nfs/dbraw/zinc/60/75/75/776607575.db2.gz AFZXXPJFTNGEIP-NXEZZACHSA-N 1 2 281.316 -1.632 20 0 CAADLO Cc1n[nH]cc1C(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C[C@H]1O ZINC001090474076 776607583 /nfs/dbraw/zinc/60/75/83/776607583.db2.gz AFZXXPJFTNGEIP-NXEZZACHSA-N 1 2 281.316 -1.632 20 0 CAADLO Cc1n[nH]cc1C(=O)N[C@@H]1CC[N@H+](CC(N)=O)C[C@@H]1O ZINC001090474079 776607818 /nfs/dbraw/zinc/60/78/18/776607818.db2.gz AFZXXPJFTNGEIP-ZJUUUORDSA-N 1 2 281.316 -1.632 20 0 CAADLO Cc1n[nH]cc1C(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C[C@@H]1O ZINC001090474079 776607827 /nfs/dbraw/zinc/60/78/27/776607827.db2.gz AFZXXPJFTNGEIP-ZJUUUORDSA-N 1 2 281.316 -1.632 20 0 CAADLO Cc1n[nH]cc1C(=O)N[C@H]1CC[N@H+](CC(N)=O)C[C@@H]1O ZINC001090474077 776608131 /nfs/dbraw/zinc/60/81/31/776608131.db2.gz AFZXXPJFTNGEIP-UWVGGRQHSA-N 1 2 281.316 -1.632 20 0 CAADLO Cc1n[nH]cc1C(=O)N[C@H]1CC[N@@H+](CC(N)=O)C[C@@H]1O ZINC001090474077 776608137 /nfs/dbraw/zinc/60/81/37/776608137.db2.gz AFZXXPJFTNGEIP-UWVGGRQHSA-N 1 2 281.316 -1.632 20 0 CAADLO CS(=O)(=O)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC(N)=O ZINC001114092770 776610105 /nfs/dbraw/zinc/61/01/05/776610105.db2.gz BYMNHPUCWINUFO-VROVMSAKSA-N 1 2 289.357 -2.047 20 0 CAADLO CS(=O)(=O)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC(N)=O ZINC001114092770 776610109 /nfs/dbraw/zinc/61/01/09/776610109.db2.gz BYMNHPUCWINUFO-VROVMSAKSA-N 1 2 289.357 -2.047 20 0 CAADLO C[C@@H](c1nncn1C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC(N)=O ZINC001114098764 776611043 /nfs/dbraw/zinc/61/10/43/776611043.db2.gz LCHJVVHGOMURTB-APOZVJGGSA-N 1 2 292.343 -1.202 20 0 CAADLO C[C@@H](c1nncn1C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC(N)=O ZINC001114098764 776611047 /nfs/dbraw/zinc/61/10/47/776611047.db2.gz LCHJVVHGOMURTB-APOZVJGGSA-N 1 2 292.343 -1.202 20 0 CAADLO C[C@H](c1nncn1C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC(N)=O ZINC001114098767 776611099 /nfs/dbraw/zinc/61/10/99/776611099.db2.gz LCHJVVHGOMURTB-XBWDGYHZSA-N 1 2 292.343 -1.202 20 0 CAADLO C[C@H](c1nncn1C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC(N)=O ZINC001114098767 776611108 /nfs/dbraw/zinc/61/11/08/776611108.db2.gz LCHJVVHGOMURTB-XBWDGYHZSA-N 1 2 292.343 -1.202 20 0 CAADLO CCn1cc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CC(N)=O)nn1 ZINC001114098954 776611217 /nfs/dbraw/zinc/61/12/17/776611217.db2.gz OQMZCAQSVHCKLG-IWIIMEHWSA-N 1 2 292.343 -1.280 20 0 CAADLO CCn1cc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CC(N)=O)nn1 ZINC001114098954 776611223 /nfs/dbraw/zinc/61/12/23/776611223.db2.gz OQMZCAQSVHCKLG-IWIIMEHWSA-N 1 2 292.343 -1.280 20 0 CAADLO Cn1cc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CC(N)=O)nn1 ZINC001114096197 776613877 /nfs/dbraw/zinc/61/38/77/776613877.db2.gz UYLNTTCNWKOCRJ-GDGBQDQQSA-N 1 2 278.316 -1.763 20 0 CAADLO Cn1cc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CC(N)=O)nn1 ZINC001114096197 776613884 /nfs/dbraw/zinc/61/38/84/776613884.db2.gz UYLNTTCNWKOCRJ-GDGBQDQQSA-N 1 2 278.316 -1.763 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1nnc[nH]1 ZINC001114120594 776613894 /nfs/dbraw/zinc/61/38/94/776613894.db2.gz UTFKZWFYEDPWSK-APOZVJGGSA-N 1 2 292.343 -1.343 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1nnc[nH]1 ZINC001114120594 776613897 /nfs/dbraw/zinc/61/38/97/776613897.db2.gz UTFKZWFYEDPWSK-APOZVJGGSA-N 1 2 292.343 -1.343 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1nc[nH]n1 ZINC001114120594 776613901 /nfs/dbraw/zinc/61/39/01/776613901.db2.gz UTFKZWFYEDPWSK-APOZVJGGSA-N 1 2 292.343 -1.343 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1nc[nH]n1 ZINC001114120594 776613905 /nfs/dbraw/zinc/61/39/05/776613905.db2.gz UTFKZWFYEDPWSK-APOZVJGGSA-N 1 2 292.343 -1.343 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2c[nH]nc2C)[C@H](O)C1 ZINC001090476082 776616200 /nfs/dbraw/zinc/61/62/00/776616200.db2.gz MBDRXKAUEISZEV-WDEREUQCSA-N 1 2 295.343 -1.371 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)c2c[nH]nc2C)[C@H](O)C1 ZINC001090476082 776616207 /nfs/dbraw/zinc/61/62/07/776616207.db2.gz MBDRXKAUEISZEV-WDEREUQCSA-N 1 2 295.343 -1.371 20 0 CAADLO CNC(=O)CC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cnn(C)n3)C[C@H]21 ZINC001114180596 776616227 /nfs/dbraw/zinc/61/62/27/776616227.db2.gz NLLHJRFSAGCBJU-IWIIMEHWSA-N 1 2 292.343 -1.502 20 0 CAADLO CNC(=O)CC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cnn(C)n3)C[C@H]21 ZINC001114180596 776616229 /nfs/dbraw/zinc/61/62/29/776616229.db2.gz NLLHJRFSAGCBJU-IWIIMEHWSA-N 1 2 292.343 -1.502 20 0 CAADLO C[C@H](NC(N)=O)C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cnon3)C[C@H]21 ZINC001114182751 776617172 /nfs/dbraw/zinc/61/71/72/776617172.db2.gz SUCROPLRBDWIBS-BEYHFKMWSA-N 1 2 294.315 -1.327 20 0 CAADLO C[C@H](NC(N)=O)C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cnon3)C[C@H]21 ZINC001114182751 776617178 /nfs/dbraw/zinc/61/71/78/776617178.db2.gz SUCROPLRBDWIBS-BEYHFKMWSA-N 1 2 294.315 -1.327 20 0 CAADLO Cn1[nH]c(CNCCNC(=O)[C@@H](C2CC2)[NH+](C)C)nc1=O ZINC001129435162 776620473 /nfs/dbraw/zinc/62/04/73/776620473.db2.gz CMNRHJNDZBTIKG-LLVKDONJSA-N 1 2 296.375 -1.346 20 0 CAADLO Cn1[nH]c(CNCCNC(=O)[C@H](C2CC2)[NH+](C)C)nc1=O ZINC001129435163 776621913 /nfs/dbraw/zinc/62/19/13/776621913.db2.gz CMNRHJNDZBTIKG-NSHDSACASA-N 1 2 296.375 -1.346 20 0 CAADLO Cc1nnc(C[NH2+]CCNC(=O)C[C@@H]2NC(=O)NC2=O)o1 ZINC001129743173 776625723 /nfs/dbraw/zinc/62/57/23/776625723.db2.gz JMOMFPSUOOKTBI-ZETCQYMHSA-N 1 2 296.287 -1.818 20 0 CAADLO O=C(C[C@@H]1NC(=O)NC1=O)NCC[NH2+]Cc1nncs1 ZINC001129751040 776626585 /nfs/dbraw/zinc/62/65/85/776626585.db2.gz SSYMJUBEPJNSHE-LURJTMIESA-N 1 2 298.328 -1.658 20 0 CAADLO Cn1cnc(C(=O)NCC[NH2+]Cc2cnon2)cc1=O ZINC001129825099 776629524 /nfs/dbraw/zinc/62/95/24/776629524.db2.gz FGICKNPUPKBSKF-UHFFFAOYSA-N 1 2 278.272 -1.317 20 0 CAADLO CC(C)(C(N)=O)C(=O)NCC[NH2+]Cc1cnon1 ZINC001129927671 776632644 /nfs/dbraw/zinc/63/26/44/776632644.db2.gz ZAXACUDZXHPVHN-UHFFFAOYSA-N 1 2 255.278 -1.213 20 0 CAADLO Cn1[nH]c(C[NH2+]CCNC(=O)[C@H]2CCCNC2=O)nc1=O ZINC001129953637 776634165 /nfs/dbraw/zinc/63/41/65/776634165.db2.gz MPIOGOWVUNUQLG-QMMMGPOBSA-N 1 2 296.331 -2.160 20 0 CAADLO Cn1[nH]c(C[NH2+]CCNC(=O)[C@@H]2CCCNC2=O)nc1=O ZINC001129953636 776634342 /nfs/dbraw/zinc/63/43/42/776634342.db2.gz MPIOGOWVUNUQLG-MRVPVSSYSA-N 1 2 296.331 -2.160 20 0 CAADLO CN(C)c1noc(C[NH2+]CCNC(=O)C(C)(C)C(N)=O)n1 ZINC001129931199 776634450 /nfs/dbraw/zinc/63/44/50/776634450.db2.gz KTZZCCSWDAMRQK-UHFFFAOYSA-N 1 2 298.347 -1.147 20 0 CAADLO Cn1[nH]c(C[NH2+]CCNC(=O)C(C)(C)C(N)=O)nc1=O ZINC001129931327 776634605 /nfs/dbraw/zinc/63/46/05/776634605.db2.gz RKNBVRMUHZAFFB-UHFFFAOYSA-N 1 2 284.320 -2.174 20 0 CAADLO O=C(NCC[NH2+]Cc1cnon1)[C@H]1CCCC(=O)N1 ZINC001130035068 776638939 /nfs/dbraw/zinc/63/89/39/776638939.db2.gz FFCZOFPJHLWDNT-SECBINFHSA-N 1 2 267.289 -1.056 20 0 CAADLO COC(=O)[C@@H]([NH3+])CC(=O)N1CC[C@@H](CO)[C@@H](O)C1 ZINC001157904811 776640315 /nfs/dbraw/zinc/64/03/15/776640315.db2.gz OAQUZHNCNHZJNE-CIUDSAMLSA-N 1 2 260.290 -1.922 20 0 CAADLO COC(=O)[C@@H]([NH3+])CC(=O)N1CC[C@H](CO)[C@@H](O)C1 ZINC001157904813 776640480 /nfs/dbraw/zinc/64/04/80/776640480.db2.gz OAQUZHNCNHZJNE-VGMNWLOBSA-N 1 2 260.290 -1.922 20 0 CAADLO COC(=O)[C@@H]([NH3+])CC(=O)N1CC[C@@H](CO)[C@H](O)C1 ZINC001157904814 776640940 /nfs/dbraw/zinc/64/09/40/776640940.db2.gz OAQUZHNCNHZJNE-XHNCKOQMSA-N 1 2 260.290 -1.922 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2[nH]nnc2C)[C@@H](O)C1 ZINC001090481526 776642148 /nfs/dbraw/zinc/64/21/48/776642148.db2.gz BRNQFOCAAMRPMA-IUCAKERBSA-N 1 2 296.331 -1.976 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)c2[nH]nnc2C)[C@@H](O)C1 ZINC001090481526 776642150 /nfs/dbraw/zinc/64/21/50/776642150.db2.gz BRNQFOCAAMRPMA-IUCAKERBSA-N 1 2 296.331 -1.976 20 0 CAADLO CC(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CC(N)=O)n1 ZINC001130173349 776645049 /nfs/dbraw/zinc/64/50/49/776645049.db2.gz MXIMLVIFMKRMSZ-IUCAKERBSA-N 1 2 296.331 -1.612 20 0 CAADLO C[C@@H](C(=O)NCC[NH2+]Cc1nnnn1C)S(C)(=O)=O ZINC001130324189 776649712 /nfs/dbraw/zinc/64/97/12/776649712.db2.gz UABDWEKDXMBDJE-ZETCQYMHSA-N 1 2 290.349 -2.151 20 0 CAADLO Cn1nnnc1C[NH2+]CCNC(=O)CCS(C)(=O)=O ZINC001130327070 776650236 /nfs/dbraw/zinc/65/02/36/776650236.db2.gz JTTHTBPTKHJHFM-UHFFFAOYSA-N 1 2 290.349 -2.149 20 0 CAADLO Cn1ncc(C[NH2+]CCNC(=O)CCS(C)(=O)=O)n1 ZINC001130327433 776651132 /nfs/dbraw/zinc/65/11/32/776651132.db2.gz YUFADFBRQMBTIA-UHFFFAOYSA-N 1 2 289.361 -1.544 20 0 CAADLO C[C@@H](C(=O)NCC[NH2+]Cc1cnon1)S(C)(=O)=O ZINC001130329693 776651841 /nfs/dbraw/zinc/65/18/41/776651841.db2.gz AAUHYWDFABUREU-ZETCQYMHSA-N 1 2 276.318 -1.292 20 0 CAADLO CC(=O)NCC(=O)NCC(=O)NCC[NH2+]Cc1cnon1 ZINC001130384410 776655689 /nfs/dbraw/zinc/65/56/89/776655689.db2.gz GXDQQHSUWJISIR-UHFFFAOYSA-N 1 2 298.303 -2.472 20 0 CAADLO C[C@@]1(CO)CCN(C(=O)[C@@H]([NH3+])Cc2nn[nH]n2)C[C@H]1O ZINC001157948044 776656311 /nfs/dbraw/zinc/65/63/11/776656311.db2.gz YSRBXTVXNIKXIV-RNSXUZJQSA-N 1 2 284.320 -2.339 20 0 CAADLO Cc1nn[nH]c1C(=O)N[C@H]1CC[N@H+](CC(N)=O)C[C@@H]1O ZINC001090484314 776656591 /nfs/dbraw/zinc/65/65/91/776656591.db2.gz XMIBMYLJSGBOGZ-YUMQZZPRSA-N 1 2 282.304 -2.237 20 0 CAADLO Cc1nn[nH]c1C(=O)N[C@H]1CC[N@@H+](CC(N)=O)C[C@@H]1O ZINC001090484314 776656592 /nfs/dbraw/zinc/65/65/92/776656592.db2.gz XMIBMYLJSGBOGZ-YUMQZZPRSA-N 1 2 282.304 -2.237 20 0 CAADLO Cc1nn[nH]c1C(=O)N[C@@H]1CC[N@H+](CC(N)=O)C[C@@H]1O ZINC001090484312 776656629 /nfs/dbraw/zinc/65/66/29/776656629.db2.gz XMIBMYLJSGBOGZ-SFYZADRCSA-N 1 2 282.304 -2.237 20 0 CAADLO Cc1nn[nH]c1C(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C[C@@H]1O ZINC001090484312 776656633 /nfs/dbraw/zinc/65/66/33/776656633.db2.gz XMIBMYLJSGBOGZ-SFYZADRCSA-N 1 2 282.304 -2.237 20 0 CAADLO Cc1nc(CCN(C)C(=O)[C@@H]([NH3+])Cc2nn[nH]n2)no1 ZINC001157982679 776659089 /nfs/dbraw/zinc/65/90/89/776659089.db2.gz DWYDCNLCNIBJPW-ZETCQYMHSA-N 1 2 280.292 -1.538 20 0 CAADLO CN1CCN(CC(=O)NCC[NH2+]Cc2cnon2)CC1=O ZINC001130553512 776659558 /nfs/dbraw/zinc/65/95/58/776659558.db2.gz IWEBNIJJVGAIJQ-UHFFFAOYSA-N 1 2 296.331 -1.951 20 0 CAADLO O=C(CC1CS(=O)(=O)C1)NCC[NH2+]Cc1cnon1 ZINC001130577808 776661008 /nfs/dbraw/zinc/66/10/08/776661008.db2.gz JGPMIERRMODENZ-UHFFFAOYSA-N 1 2 288.329 -1.290 20 0 CAADLO Cn1cnn(CC(=O)NCC[NH2+]Cc2cnon2)c1=O ZINC001130588392 776661118 /nfs/dbraw/zinc/66/11/18/776661118.db2.gz TXBPGPJMRHJROQ-UHFFFAOYSA-N 1 2 281.276 -2.129 20 0 CAADLO Cn1cnn(CC(=O)NCC[NH2+]Cc2ncccn2)c1=O ZINC001130591197 776662437 /nfs/dbraw/zinc/66/24/37/776662437.db2.gz WJXLWRLPJHSOKM-UHFFFAOYSA-N 1 2 291.315 -1.722 20 0 CAADLO Cc1nnc(C[NH2+]CCNC(=O)Cn2ncn(C)c2=O)o1 ZINC001130591244 776662642 /nfs/dbraw/zinc/66/26/42/776662642.db2.gz YWFBSCZUHUMZIQ-UHFFFAOYSA-N 1 2 295.303 -1.821 20 0 CAADLO Cc1nnc(C[NH2+]CCNC(=O)C(=O)NCC(F)F)[nH]1 ZINC001130643131 776663551 /nfs/dbraw/zinc/66/35/51/776663551.db2.gz QITXYYVNAOFVDZ-UHFFFAOYSA-N 1 2 290.274 -1.300 20 0 CAADLO Cc1nonc1C[NH2+]CCNC(=O)C(=O)NCC(F)F ZINC001130650498 776664186 /nfs/dbraw/zinc/66/41/86/776664186.db2.gz HBVXCYIGPZBUFX-UHFFFAOYSA-N 1 2 291.258 -1.035 20 0 CAADLO O=C(NCC[NH2+]Cc1cnon1)[C@H]1CCC(=O)NC1 ZINC001130702804 776668703 /nfs/dbraw/zinc/66/87/03/776668703.db2.gz WCCCEZKGTDEPNR-QMMMGPOBSA-N 1 2 267.289 -1.198 20 0 CAADLO O=C(NCC[NH2+]Cc1cnon1)[C@@H]1CCC(=O)NC1 ZINC001130702803 776669451 /nfs/dbraw/zinc/66/94/51/776669451.db2.gz WCCCEZKGTDEPNR-MRVPVSSYSA-N 1 2 267.289 -1.198 20 0 CAADLO Cn1cnnc1C[NH2+]CCNC(=O)c1cn[nH]n1 ZINC001130745618 776670001 /nfs/dbraw/zinc/67/00/01/776670001.db2.gz FNWAKGCPVDYMQR-UHFFFAOYSA-N 1 2 250.266 -1.547 20 0 CAADLO Cn1cnnc1C[NH2+]CCNC(=O)c1cnn[nH]1 ZINC001130745618 776670006 /nfs/dbraw/zinc/67/00/06/776670006.db2.gz FNWAKGCPVDYMQR-UHFFFAOYSA-N 1 2 250.266 -1.547 20 0 CAADLO Cc1nnc(C[NH2+]CCNC(=O)c2cn[nH]n2)[nH]1 ZINC001130748953 776670051 /nfs/dbraw/zinc/67/00/51/776670051.db2.gz PLQXVSLZJPBXLN-UHFFFAOYSA-N 1 2 250.266 -1.249 20 0 CAADLO O=C(NCC[NH2+]Cc1nnnn1C1CC1)c1cn[nH]n1 ZINC001130745566 776670140 /nfs/dbraw/zinc/67/01/40/776670140.db2.gz CGGCLNFVGRVJKL-UHFFFAOYSA-N 1 2 277.292 -1.354 20 0 CAADLO NC(=O)C[NH2+]CCNC(=O)c1[nH]nc2c1CCC2 ZINC001130739083 776670173 /nfs/dbraw/zinc/67/01/73/776670173.db2.gz YSLVTJHSONJLCU-UHFFFAOYSA-N 1 2 251.290 -1.297 20 0 CAADLO Cn1cc(C[NH2+]CCNC(=O)c2cn[nH]n2)nn1 ZINC001130745917 776670234 /nfs/dbraw/zinc/67/02/34/776670234.db2.gz RYIQWDCZNIZACU-UHFFFAOYSA-N 1 2 250.266 -1.547 20 0 CAADLO Cn1cc(C[NH2+]CCNC(=O)c2cnn[nH]2)nn1 ZINC001130745917 776670235 /nfs/dbraw/zinc/67/02/35/776670235.db2.gz RYIQWDCZNIZACU-UHFFFAOYSA-N 1 2 250.266 -1.547 20 0 CAADLO Cc1noc(C[NH2+]CCNC(=O)CN2CCCNC2=O)n1 ZINC001130781861 776674477 /nfs/dbraw/zinc/67/44/77/776674477.db2.gz ZVYKZSLWMARCGT-UHFFFAOYSA-N 1 2 296.331 -1.001 20 0 CAADLO Cn1cncc1C(=O)NCC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001130896619 776677449 /nfs/dbraw/zinc/67/74/49/776677449.db2.gz HXWKUWNIRPWHQM-UHFFFAOYSA-N 1 2 279.304 -1.639 20 0 CAADLO Cn1nnc(C[NH2+]CCCNC(=O)Cn2ncnn2)n1 ZINC001158163286 776678518 /nfs/dbraw/zinc/67/85/18/776678518.db2.gz NYGLEHXCGNWOES-UHFFFAOYSA-N 1 2 280.296 -2.507 20 0 CAADLO Cn1nnc(C(=O)N[C@H]2CC[N@H+](CC(N)=O)C[C@@H]2O)n1 ZINC001090497605 776683292 /nfs/dbraw/zinc/68/32/92/776683292.db2.gz WKHOQJLFGHDSIL-BQBZGAKWSA-N 1 2 283.292 -3.140 20 0 CAADLO Cn1nnc(C(=O)N[C@H]2CC[N@@H+](CC(N)=O)C[C@@H]2O)n1 ZINC001090497605 776683296 /nfs/dbraw/zinc/68/32/96/776683296.db2.gz WKHOQJLFGHDSIL-BQBZGAKWSA-N 1 2 283.292 -3.140 20 0 CAADLO Cn1nnnc1C[NH2+]CCNC(=O)c1cn(C)ccc1=O ZINC001131159833 776686621 /nfs/dbraw/zinc/68/66/21/776686621.db2.gz LNZMEWHAGBOHIH-UHFFFAOYSA-N 1 2 291.315 -1.572 20 0 CAADLO CC(=O)N1CCC(=O)NCC[N@@H+](CCOCCO)CC1 ZINC001131316803 776687818 /nfs/dbraw/zinc/68/78/18/776687818.db2.gz WWKIGCBRJIKTHB-UHFFFAOYSA-N 1 2 287.360 -1.334 20 0 CAADLO CC(=O)N1CCC(=O)NCC[N@H+](CCOCCO)CC1 ZINC001131316803 776687823 /nfs/dbraw/zinc/68/78/23/776687823.db2.gz WWKIGCBRJIKTHB-UHFFFAOYSA-N 1 2 287.360 -1.334 20 0 CAADLO COCC1(C(=O)NCC[NH2+]Cc2nc(=O)n(C)[nH]2)CC1 ZINC001131310724 776688340 /nfs/dbraw/zinc/68/83/40/776688340.db2.gz BXBYCHICCIPHSF-UHFFFAOYSA-N 1 2 283.332 -1.259 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)[C@H](O)C1 ZINC001090498869 776688392 /nfs/dbraw/zinc/68/83/92/776688392.db2.gz DWDVSNARGRQPNB-KUNJHIDRSA-N 1 2 283.328 -2.085 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)[C@H](O)C1 ZINC001090498869 776688397 /nfs/dbraw/zinc/68/83/97/776688397.db2.gz DWDVSNARGRQPNB-KUNJHIDRSA-N 1 2 283.328 -2.085 20 0 CAADLO COCC(C)(C)C(=O)NCC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001131322087 776689875 /nfs/dbraw/zinc/68/98/75/776689875.db2.gz YDJIJJAGWQQLFC-UHFFFAOYSA-N 1 2 285.348 -1.013 20 0 CAADLO Cc1noc(C[NH2+]CCNC(=O)c2cn(C)c(=O)cn2)n1 ZINC001131536635 776693060 /nfs/dbraw/zinc/69/30/60/776693060.db2.gz MQSWVMWVRQHMKX-UHFFFAOYSA-N 1 2 292.299 -1.009 20 0 CAADLO Cc1nnc(C[NH2+]CCNC(=O)c2cn(C)c(=O)cn2)o1 ZINC001131535713 776694052 /nfs/dbraw/zinc/69/40/52/776694052.db2.gz AUYJTKVWZIQZMU-UHFFFAOYSA-N 1 2 292.299 -1.009 20 0 CAADLO C[C@@]1(C(=O)NCC[NH2+]Cc2cnon2)CNC(=O)C1 ZINC001131689982 776700410 /nfs/dbraw/zinc/70/04/10/776700410.db2.gz OGEQHQYYRMAWJB-NSHDSACASA-N 1 2 267.289 -1.198 20 0 CAADLO Cn1cnn(CCC(=O)NCC[NH2+]Cc2cnon2)c1=O ZINC001131769074 776702223 /nfs/dbraw/zinc/70/22/23/776702223.db2.gz JLGZDIJJRVMTTL-UHFFFAOYSA-N 1 2 295.303 -1.739 20 0 CAADLO Cn1[nH]c(C[NH2+]CCNC(=O)c2cnco2)nc1=O ZINC001132029643 776712274 /nfs/dbraw/zinc/71/22/74/776712274.db2.gz CYSCSZPXOFYLQZ-UHFFFAOYSA-N 1 2 266.261 -1.384 20 0 CAADLO Cn1nnc(CNCCNC(=O)CCn2cc[nH+]c2)n1 ZINC001132079660 776713305 /nfs/dbraw/zinc/71/33/05/776713305.db2.gz HCBAARYWKGLPEX-UHFFFAOYSA-N 1 2 278.320 -1.297 20 0 CAADLO C[C@H]1CC[C@@H](NC(=O)C(N)=O)C[N@@H+]1CC(=O)NC(N)=O ZINC001132253229 776716966 /nfs/dbraw/zinc/71/69/66/776716966.db2.gz QHNLTPPBLUCMOZ-NKWVEPMBSA-N 1 2 285.304 -2.364 20 0 CAADLO C[C@H]1CC[C@@H](NC(=O)C(N)=O)C[N@H+]1CC(=O)NC(N)=O ZINC001132253229 776716971 /nfs/dbraw/zinc/71/69/71/776716971.db2.gz QHNLTPPBLUCMOZ-NKWVEPMBSA-N 1 2 285.304 -2.364 20 0 CAADLO C[C@@H]1CC[C@@H](NC(=O)C(N)=O)C[N@@H+]1CC(=O)NC(N)=O ZINC001132253230 776717082 /nfs/dbraw/zinc/71/70/82/776717082.db2.gz QHNLTPPBLUCMOZ-RNFRBKRXSA-N 1 2 285.304 -2.364 20 0 CAADLO C[C@@H]1CC[C@@H](NC(=O)C(N)=O)C[N@H+]1CC(=O)NC(N)=O ZINC001132253230 776717087 /nfs/dbraw/zinc/71/70/87/776717087.db2.gz QHNLTPPBLUCMOZ-RNFRBKRXSA-N 1 2 285.304 -2.364 20 0 CAADLO CC(C)NC(=O)C[N@@H+]1C[C@H](NC(=O)C(N)=O)CC[C@@H]1C ZINC001132252350 776717331 /nfs/dbraw/zinc/71/73/31/776717331.db2.gz DCJXTMALTYWVMF-VHSXEESVSA-N 1 2 284.360 -1.035 20 0 CAADLO CC(C)NC(=O)C[N@H+]1C[C@H](NC(=O)C(N)=O)CC[C@@H]1C ZINC001132252350 776717336 /nfs/dbraw/zinc/71/73/36/776717336.db2.gz DCJXTMALTYWVMF-VHSXEESVSA-N 1 2 284.360 -1.035 20 0 CAADLO C[C@@H]1CC[C@H](NC(=O)C(N)=O)C[N@@H+]1CC(=O)NCC1CC1 ZINC001132252737 776717749 /nfs/dbraw/zinc/71/77/49/776717749.db2.gz JKJMGIXNLZMEJA-KOLCDFICSA-N 1 2 296.371 -1.033 20 0 CAADLO C[C@@H]1CC[C@H](NC(=O)C(N)=O)C[N@H+]1CC(=O)NCC1CC1 ZINC001132252737 776717752 /nfs/dbraw/zinc/71/77/52/776717752.db2.gz JKJMGIXNLZMEJA-KOLCDFICSA-N 1 2 296.371 -1.033 20 0 CAADLO CC(C)NC(=O)C[N@@H+]1C[C@@H](NC(=O)C(N)=O)CC[C@@H]1C ZINC001132252349 776717899 /nfs/dbraw/zinc/71/78/99/776717899.db2.gz DCJXTMALTYWVMF-UWVGGRQHSA-N 1 2 284.360 -1.035 20 0 CAADLO CC(C)NC(=O)C[N@H+]1C[C@@H](NC(=O)C(N)=O)CC[C@@H]1C ZINC001132252349 776717903 /nfs/dbraw/zinc/71/79/03/776717903.db2.gz DCJXTMALTYWVMF-UWVGGRQHSA-N 1 2 284.360 -1.035 20 0 CAADLO Cn1c(=O)[nH]cc(C(=O)NCC[NH2+]Cc2cnon2)c1=O ZINC001132242057 776718124 /nfs/dbraw/zinc/71/81/24/776718124.db2.gz HKQTVCAUVWZLLF-UHFFFAOYSA-N 1 2 294.271 -1.612 20 0 CAADLO CCNC(=O)C[N@@H+]1C[C@H](NC(=O)C(N)=O)CC[C@H]1C ZINC001132253783 776719200 /nfs/dbraw/zinc/71/92/00/776719200.db2.gz ZJUCJAOBCUHIOX-RKDXNWHRSA-N 1 2 270.333 -1.423 20 0 CAADLO CCNC(=O)C[N@H+]1C[C@H](NC(=O)C(N)=O)CC[C@H]1C ZINC001132253783 776719206 /nfs/dbraw/zinc/71/92/06/776719206.db2.gz ZJUCJAOBCUHIOX-RKDXNWHRSA-N 1 2 270.333 -1.423 20 0 CAADLO O=C(CN1CCNC(=O)C1)NCC[NH2+]Cc1csnn1 ZINC001132317553 776720705 /nfs/dbraw/zinc/72/07/05/776720705.db2.gz IMMXERJTCNOYHX-UHFFFAOYSA-N 1 2 298.372 -1.824 20 0 CAADLO O=C(CN1CCNC(=O)C1)NCC[NH2+]Cc1cnsn1 ZINC001132317982 776721433 /nfs/dbraw/zinc/72/14/33/776721433.db2.gz QLTNMPYMBSCTCA-UHFFFAOYSA-N 1 2 298.372 -1.824 20 0 CAADLO Cc1nonc1C[NH2+]CCNC(=O)CN1CCNC(=O)C1 ZINC001132318371 776721537 /nfs/dbraw/zinc/72/15/37/776721537.db2.gz WVSQPNFGJAUZHZ-UHFFFAOYSA-N 1 2 296.331 -1.984 20 0 CAADLO Cc1noc(C[NH2+]CCNC(=O)CN2CCNC(=O)C2)n1 ZINC001132317351 776721552 /nfs/dbraw/zinc/72/15/52/776721552.db2.gz DISKDKCBNVSKFJ-UHFFFAOYSA-N 1 2 296.331 -1.984 20 0 CAADLO Cn1[nH]c(C[NH2+]CCNC(=O)[C@H]2CC[C@H]2C(N)=O)nc1=O ZINC001132337272 776723142 /nfs/dbraw/zinc/72/31/42/776723142.db2.gz IMGNYJQUVGOTKX-SFYZADRCSA-N 1 2 296.331 -2.174 20 0 CAADLO Cn1[nH]c(C[NH2+]CCNC(=O)[C@@H]2CC[C@@H]2C(N)=O)nc1=O ZINC001132337271 776723289 /nfs/dbraw/zinc/72/32/89/776723289.db2.gz IMGNYJQUVGOTKX-JGVFFNPUSA-N 1 2 296.331 -2.174 20 0 CAADLO C[C@H](CC(N)=O)C(=O)NCC[NH2+]Cc1cnon1 ZINC001132345902 776725947 /nfs/dbraw/zinc/72/59/47/776725947.db2.gz XTWZYIGGKSZHBX-SSDOTTSWSA-N 1 2 255.278 -1.213 20 0 CAADLO CNC(=O)C1(C(=O)N[C@@H]2CC[C@H](C)[N@H+](CC(N)=O)C2)CC1 ZINC001132348712 776726164 /nfs/dbraw/zinc/72/61/64/776726164.db2.gz QYZGTCIZUUNMQU-VHSXEESVSA-N 1 2 296.371 -1.033 20 0 CAADLO CNC(=O)C1(C(=O)N[C@@H]2CC[C@H](C)[N@@H+](CC(N)=O)C2)CC1 ZINC001132348712 776726165 /nfs/dbraw/zinc/72/61/65/776726165.db2.gz QYZGTCIZUUNMQU-VHSXEESVSA-N 1 2 296.371 -1.033 20 0 CAADLO C[C@@H](CC(N)=O)C(=O)NCC[NH2+]Cc1nc(N(C)C)no1 ZINC001132349565 776727450 /nfs/dbraw/zinc/72/74/50/776727450.db2.gz IUONKVRTALQFJL-QMMMGPOBSA-N 1 2 298.347 -1.147 20 0 CAADLO C[C@H](CC(N)=O)C(=O)NCC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001132349408 776727462 /nfs/dbraw/zinc/72/74/62/776727462.db2.gz FAYGMCDXXNELLB-SSDOTTSWSA-N 1 2 284.320 -2.174 20 0 CAADLO COCc1noc(C[NH2+]CCNC(=O)[C@H]2CCNC2=O)n1 ZINC001132355516 776727770 /nfs/dbraw/zinc/72/77/70/776727770.db2.gz BOWODBRUKJXPOK-QMMMGPOBSA-N 1 2 297.315 -1.442 20 0 CAADLO COCc1noc(C[NH2+]CCNC(=O)[C@@H](C)CC(N)=O)n1 ZINC001132350781 776727979 /nfs/dbraw/zinc/72/79/79/776727979.db2.gz WTPIMIDQVKNRMS-QMMMGPOBSA-N 1 2 299.331 -1.067 20 0 CAADLO NC(=O)[C@H]1CC[C@@H]1C(=O)NCC[NH2+]Cc1cnon1 ZINC001132363823 776728172 /nfs/dbraw/zinc/72/81/72/776728172.db2.gz ZGFODTMSVVVUND-IUCAKERBSA-N 1 2 267.289 -1.213 20 0 CAADLO C[C@H](CC(N)=O)C(=O)NCC[NH2+]Cc1nc(N(C)C)no1 ZINC001132349564 776728386 /nfs/dbraw/zinc/72/83/86/776728386.db2.gz IUONKVRTALQFJL-MRVPVSSYSA-N 1 2 298.347 -1.147 20 0 CAADLO Cn1[nH]c(C[NH2+]CCNC(=O)[C@@H]2CCNC2=O)nc1=O ZINC001132356476 776729095 /nfs/dbraw/zinc/72/90/95/776729095.db2.gz XKSGSHGDASPWQG-SSDOTTSWSA-N 1 2 282.304 -2.550 20 0 CAADLO O=C(NCC[NH2+]Cc1cnsn1)[C@H]1CCNC1=O ZINC001132358646 776729470 /nfs/dbraw/zinc/72/94/70/776729470.db2.gz GULVUOXCKLDJNV-QMMMGPOBSA-N 1 2 269.330 -1.120 20 0 CAADLO O=C(NCC[NH2+]Cc1cnon1)[C@@H]1CCNC1=O ZINC001132358223 776729512 /nfs/dbraw/zinc/72/95/12/776729512.db2.gz BFOYVBSAMHEXIF-MRVPVSSYSA-N 1 2 253.262 -1.589 20 0 CAADLO CN1C[C@H](C(=O)NCC[NH2+]Cc2cnon2)NC1=O ZINC001132387742 776734247 /nfs/dbraw/zinc/73/42/47/776734247.db2.gz ZEPWFHTZHZSBPK-MRVPVSSYSA-N 1 2 268.277 -1.701 20 0 CAADLO Cc1nnc(C[NH2+]CCNC(=O)[C@H]2CN(C)C(=O)N2)o1 ZINC001132382001 776736177 /nfs/dbraw/zinc/73/61/77/776736177.db2.gz AKNKJHYOMYELJU-MRVPVSSYSA-N 1 2 282.304 -1.393 20 0 CAADLO CN1C[C@@H](C(=O)NCC[NH2+]Cc2cnsn2)NC1=O ZINC001132382236 776736786 /nfs/dbraw/zinc/73/67/86/776736786.db2.gz FRZQXFUWVAPQHO-QMMMGPOBSA-N 1 2 284.345 -1.233 20 0 CAADLO CN1C[C@H](C(=O)NCC[NH2+]Cc2cnsn2)NC1=O ZINC001132382235 776737160 /nfs/dbraw/zinc/73/71/60/776737160.db2.gz FRZQXFUWVAPQHO-MRVPVSSYSA-N 1 2 284.345 -1.233 20 0 CAADLO CN1C[C@H](C(=O)NCC[NH2+]Cc2ncccn2)NC1=O ZINC001132383089 776738084 /nfs/dbraw/zinc/73/80/84/776738084.db2.gz XJLHIJWLKDUBOG-SECBINFHSA-N 1 2 278.316 -1.294 20 0 CAADLO CN1C[C@@H](C(=O)NCC[NH2+]Cc2csnn2)NC1=O ZINC001132383105 776739048 /nfs/dbraw/zinc/73/90/48/776739048.db2.gz XYYSHUGIZJQDEK-QMMMGPOBSA-N 1 2 284.345 -1.233 20 0 CAADLO Cc1nnc([C@H](C)[NH2+]CCNC(=O)c2nnn(C)n2)o1 ZINC001132527151 776741966 /nfs/dbraw/zinc/74/19/66/776741966.db2.gz NOCMRWXMRBQZHW-LURJTMIESA-N 1 2 280.292 -1.018 20 0 CAADLO Cn1nnc(C(=O)NCC[NH2+]Cc2nncs2)n1 ZINC001132527368 776742692 /nfs/dbraw/zinc/74/26/92/776742692.db2.gz XMGQYGOGXWTVIS-UHFFFAOYSA-N 1 2 268.306 -1.419 20 0 CAADLO Cc1noc([C@@H](C)[NH2+]CCNC(=O)c2nnn(C)n2)n1 ZINC001132531881 776743327 /nfs/dbraw/zinc/74/33/27/776743327.db2.gz SVXPCEPQAGWESJ-ZCFIWIBFSA-N 1 2 280.292 -1.018 20 0 CAADLO Cc1noc([C@H](C)[NH2+]CCNC(=O)c2nnn(C)n2)n1 ZINC001132531880 776743675 /nfs/dbraw/zinc/74/36/75/776743675.db2.gz SVXPCEPQAGWESJ-LURJTMIESA-N 1 2 280.292 -1.018 20 0 CAADLO CN1CC[C@H](C(=O)NCC[NH2+]Cc2cnon2)C1=O ZINC001132612776 776744624 /nfs/dbraw/zinc/74/46/24/776744624.db2.gz QQQQDNMCOUWSLD-SECBINFHSA-N 1 2 267.289 -1.246 20 0 CAADLO CN1CC[C@@H](C(=O)NCC[NH2+]Cc2nc(=O)n(C)[nH]2)C1=O ZINC001132609203 776747382 /nfs/dbraw/zinc/74/73/82/776747382.db2.gz SWDFHJGPXMLNAY-QMMMGPOBSA-N 1 2 296.331 -2.208 20 0 CAADLO CN1CC[C@H](C(=O)NCC[NH2+]Cc2nc(=O)n(C)[nH]2)C1=O ZINC001132609202 776747469 /nfs/dbraw/zinc/74/74/69/776747469.db2.gz SWDFHJGPXMLNAY-MRVPVSSYSA-N 1 2 296.331 -2.208 20 0 CAADLO Cc1nnc(C[NH2+]CCNC(=O)c2c[nH]c(=O)cn2)o1 ZINC001133015627 776756599 /nfs/dbraw/zinc/75/65/99/776756599.db2.gz AQDCKBVOGQISQR-UHFFFAOYSA-N 1 2 278.272 -1.019 20 0 CAADLO Cc1noc(C[NH2+]CCNC(=O)c2c[nH]c(=O)cn2)n1 ZINC001133013279 776757263 /nfs/dbraw/zinc/75/72/63/776757263.db2.gz BMRSMYHJPKJYDY-UHFFFAOYSA-N 1 2 278.272 -1.019 20 0 CAADLO Cc1nonc1C[NH2+]CCNC(=O)[C@@H]1CNC(=O)N1 ZINC001133111788 776758664 /nfs/dbraw/zinc/75/86/64/776758664.db2.gz OCMVKCKFSNXICA-QMMMGPOBSA-N 1 2 268.277 -1.735 20 0 CAADLO O=C(NCC[NH2+]Cc1cnsn1)[C@H]1CNC(=O)N1 ZINC001133111863 776759178 /nfs/dbraw/zinc/75/91/78/776759178.db2.gz QOJYCFKLQJTGBO-SSDOTTSWSA-N 1 2 270.318 -1.575 20 0 CAADLO O=C(NCC[NH2+]Cc1nc(C2CC2)no1)[C@@H]1CNC(=O)N1 ZINC001133111643 776759434 /nfs/dbraw/zinc/75/94/34/776759434.db2.gz JOBFAPHCJPOKFU-QMMMGPOBSA-N 1 2 294.315 -1.166 20 0 CAADLO CCc1nnc(C[NH2+]CCNC(=O)[C@H]2CNC(=O)N2)o1 ZINC001133111770 776759466 /nfs/dbraw/zinc/75/94/66/776759466.db2.gz NSFUGZSPNRREGA-SSDOTTSWSA-N 1 2 282.304 -1.481 20 0 CAADLO Cc1noc([C@H](C)[NH2+]CCNC(=O)[C@H]2CNC(=O)N2)n1 ZINC001133121732 776763293 /nfs/dbraw/zinc/76/32/93/776763293.db2.gz MEEGRZORTIRKBR-POYBYMJQSA-N 1 2 282.304 -1.174 20 0 CAADLO O=C(NCC[NH2+]Cc1nnc(C2CC2)o1)[C@@H]1CNC(=O)N1 ZINC001133128833 776764160 /nfs/dbraw/zinc/76/41/60/776764160.db2.gz OOWIWBOAIFNTCX-QMMMGPOBSA-N 1 2 294.315 -1.166 20 0 CAADLO Cc1noc(C[NH2+]CCNC(=O)[C@H]2CNC(=O)N2)n1 ZINC001133128509 776764291 /nfs/dbraw/zinc/76/42/91/776764291.db2.gz GBHHJZLFFCGUDC-SSDOTTSWSA-N 1 2 268.277 -1.735 20 0 CAADLO Cn1[nH]c(C[NH2+]CCNC(=O)[C@@H]2CNC(=O)N2)nc1=O ZINC001133128658 776764618 /nfs/dbraw/zinc/76/46/18/776764618.db2.gz JZKZDNDCGUIJJJ-LURJTMIESA-N 1 2 283.292 -3.004 20 0 CAADLO NS(=O)(=O)CCCC(=O)NCC[NH2+]Cc1cnon1 ZINC001133152336 776765526 /nfs/dbraw/zinc/76/55/26/776765526.db2.gz XMLBQNXCVJDMTO-UHFFFAOYSA-N 1 2 291.333 -1.656 20 0 CAADLO CN(C)c1noc(C[NH2+]CCNC(=O)[C@@H]2CNC(=O)N2)n1 ZINC001133129434 776765783 /nfs/dbraw/zinc/76/57/83/776765783.db2.gz YKJKMJKIPGYCTG-ZETCQYMHSA-N 1 2 297.319 -1.977 20 0 CAADLO Cc1cnc(C[NH2+]CCNC(=O)[C@@H]2CNC(=O)N2)o1 ZINC001133129031 776765975 /nfs/dbraw/zinc/76/59/75/776765975.db2.gz UGSDXDMUIJXGRB-QMMMGPOBSA-N 1 2 267.289 -1.130 20 0 CAADLO COCc1noc(C[NH2+]CCNC(=O)[C@H]2CNC(=O)N2)n1 ZINC001133129271 776766391 /nfs/dbraw/zinc/76/63/91/776766391.db2.gz XOUFXIIDNYYSNC-SSDOTTSWSA-N 1 2 298.303 -1.897 20 0 CAADLO CN(C)c1noc(C[NH2+]CCNC(=O)C2(C(N)=O)CC2)n1 ZINC001133187648 776767073 /nfs/dbraw/zinc/76/70/73/776767073.db2.gz FJTJBTYSEFOCJE-UHFFFAOYSA-N 1 2 296.331 -1.393 20 0 CAADLO Cn1[nH]c(C[NH2+]CCNC(=O)C2(C(N)=O)CC2)nc1=O ZINC001133184834 776767117 /nfs/dbraw/zinc/76/71/17/776767117.db2.gz IVCBBAVADONQPB-UHFFFAOYSA-N 1 2 282.304 -2.420 20 0 CAADLO Cc1nnc(C[NH2+]CCNC(=O)C2(C(N)=O)CC2)o1 ZINC001133187849 776767238 /nfs/dbraw/zinc/76/72/38/776767238.db2.gz JFPJSAVTOKKMNM-UHFFFAOYSA-N 1 2 267.289 -1.151 20 0 CAADLO NC(=O)C1(C(=O)NCC[NH2+]Cc2ncccn2)CC1 ZINC001133188268 776768678 /nfs/dbraw/zinc/76/86/78/776768678.db2.gz SQYHFHWFEWLECP-UHFFFAOYSA-N 1 2 263.301 -1.052 20 0 CAADLO CCc1nnc([C@@H](C)[NH2+]CCNC(=O)C(N)=O)[nH]1 ZINC001133196862 776770959 /nfs/dbraw/zinc/77/09/59/776770959.db2.gz UUVWWHFLVXHUDI-ZCFIWIBFSA-N 1 2 254.294 -1.381 20 0 CAADLO CCCn1nnnc1C[NH2+]CCNC(=O)C(N)=O ZINC001133197244 776771051 /nfs/dbraw/zinc/77/10/51/776771051.db2.gz XVQFOQADDOVJEA-UHFFFAOYSA-N 1 2 255.282 -2.226 20 0 CAADLO CCn1nc(C)c(C[NH2+]CCNC(=O)C(N)=O)n1 ZINC001133196873 776771273 /nfs/dbraw/zinc/77/12/73/776771273.db2.gz VHVOBDGGERCPEU-UHFFFAOYSA-N 1 2 254.294 -1.702 20 0 CAADLO CCc1nnc([C@H](C)[NH2+]CCNC(=O)C(N)=O)[nH]1 ZINC001133196861 776771490 /nfs/dbraw/zinc/77/14/90/776771490.db2.gz UUVWWHFLVXHUDI-LURJTMIESA-N 1 2 254.294 -1.381 20 0 CAADLO CCCn1ncnc1C[NH2+]CCNC(=O)C(N)=O ZINC001133206091 776772552 /nfs/dbraw/zinc/77/25/52/776772552.db2.gz GSPPOHDVPJGCSB-UHFFFAOYSA-N 1 2 254.294 -1.621 20 0 CAADLO Cn1[nH]c(C[NH2+]CCNC(=O)[C@@]2(C)CCNC2=O)nc1=O ZINC001133754658 776786813 /nfs/dbraw/zinc/78/68/13/776786813.db2.gz VXSJJPWVTVCMPO-LBPRGKRZSA-N 1 2 296.331 -2.160 20 0 CAADLO Cc1nonc1C[NH2+]CCNC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001133770668 776786929 /nfs/dbraw/zinc/78/69/29/776786929.db2.gz DAVNGAQXMYHIJB-VHSXEESVSA-N 1 2 297.315 -1.383 20 0 CAADLO NC(=O)[C@@H]1CC[C@H](C(=O)NCC[NH2+]Cc2ncccn2)O1 ZINC001133773681 776787083 /nfs/dbraw/zinc/78/70/83/776787083.db2.gz KKLJBGDLEWRTKJ-VHSXEESVSA-N 1 2 293.327 -1.285 20 0 CAADLO NC(=O)[C@@H]1CC[C@H](C(=O)NCC[NH2+]Cc2cnsn2)O1 ZINC001133774156 776787704 /nfs/dbraw/zinc/78/77/04/776787704.db2.gz RQQMFAJRWHXVFZ-DTWKUNHWSA-N 1 2 299.356 -1.223 20 0 CAADLO C[C@@H]1CCC[N@@H+]1CC(=O)NCCNCc1nc(=O)n(C)[nH]1 ZINC001133833820 776789668 /nfs/dbraw/zinc/78/96/68/776789668.db2.gz GZNKPCWZYSKEBO-SNVBAGLBSA-N 1 2 296.375 -1.202 20 0 CAADLO C[C@@H]1CCC[N@H+]1CC(=O)NCCNCc1nc(=O)n(C)[nH]1 ZINC001133833820 776789671 /nfs/dbraw/zinc/78/96/71/776789671.db2.gz GZNKPCWZYSKEBO-SNVBAGLBSA-N 1 2 296.375 -1.202 20 0 CAADLO C[C@H]1CCC[N@@H+]1CC(=O)NCCNCc1nc(=O)n(C)[nH]1 ZINC001133833819 776790578 /nfs/dbraw/zinc/79/05/78/776790578.db2.gz GZNKPCWZYSKEBO-JTQLQIEISA-N 1 2 296.375 -1.202 20 0 CAADLO C[C@H]1CCC[N@H+]1CC(=O)NCCNCc1nc(=O)n(C)[nH]1 ZINC001133833819 776790582 /nfs/dbraw/zinc/79/05/82/776790582.db2.gz GZNKPCWZYSKEBO-JTQLQIEISA-N 1 2 296.375 -1.202 20 0 CAADLO CCc1noc(C[NH2+]CCNC(=O)[C@H]2C[C@H]2C(N)=O)n1 ZINC001133911335 776791665 /nfs/dbraw/zinc/79/16/65/776791665.db2.gz DSYGIOASAZRWSB-SFYZADRCSA-N 1 2 281.316 -1.041 20 0 CAADLO NC(=O)[C@@H]1C[C@@H]1C(=O)NCC[NH2+]Cc1cnsn1 ZINC001133908331 776792842 /nfs/dbraw/zinc/79/28/42/776792842.db2.gz MVWXZJXLSFZUMG-SFYZADRCSA-N 1 2 269.330 -1.135 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cc2cnoc2)[C@@H](O)C1 ZINC001090514787 776795689 /nfs/dbraw/zinc/79/56/89/776795689.db2.gz PLXWIQPRGQCMPB-MNOVXSKESA-N 1 2 296.327 -1.486 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)Cc2cnoc2)[C@@H](O)C1 ZINC001090514787 776795697 /nfs/dbraw/zinc/79/56/97/776795697.db2.gz PLXWIQPRGQCMPB-MNOVXSKESA-N 1 2 296.327 -1.486 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)Cc2cnoc2)[C@@H](O)C1 ZINC001090514789 776796694 /nfs/dbraw/zinc/79/66/94/776796694.db2.gz PLXWIQPRGQCMPB-QWRGUYRKSA-N 1 2 296.327 -1.486 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)Cc2cnoc2)[C@@H](O)C1 ZINC001090514789 776796700 /nfs/dbraw/zinc/79/67/00/776796700.db2.gz PLXWIQPRGQCMPB-QWRGUYRKSA-N 1 2 296.327 -1.486 20 0 CAADLO CN(C)c1noc(C[NH2+]CCNC(=O)[C@H]2C[C@H]2C(N)=O)n1 ZINC001133942541 776797519 /nfs/dbraw/zinc/79/75/19/776797519.db2.gz BCEAOYCEWZCLDR-SFYZADRCSA-N 1 2 296.331 -1.537 20 0 CAADLO Cn1[nH]c(C[NH2+]CCNC(=O)[C@H]2C[C@H]2C(N)=O)nc1=O ZINC001133942635 776797611 /nfs/dbraw/zinc/79/76/11/776797611.db2.gz FKZZTALOOUVTHL-RQJHMYQMSA-N 1 2 282.304 -2.564 20 0 CAADLO COCc1noc(C[NH2+]CCNC(=O)[C@H]2C[C@H]2C(N)=O)n1 ZINC001133942602 776797734 /nfs/dbraw/zinc/79/77/34/776797734.db2.gz CUIAXZJJZFXDMW-SFYZADRCSA-N 1 2 297.315 -1.457 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cc2cnoc2)[C@@H](O)C1 ZINC001090514342 776797752 /nfs/dbraw/zinc/79/77/52/776797752.db2.gz NUYYNBZKVYLNPQ-ZJUUUORDSA-N 1 2 282.300 -1.746 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)Cc2cnoc2)[C@@H](O)C1 ZINC001090514342 776797759 /nfs/dbraw/zinc/79/77/59/776797759.db2.gz NUYYNBZKVYLNPQ-ZJUUUORDSA-N 1 2 282.300 -1.746 20 0 CAADLO Cc1nonc1C[NH2+]CCNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001133943946 776797786 /nfs/dbraw/zinc/79/77/86/776797786.db2.gz WNMITAGXSFIFIW-SFYZADRCSA-N 1 2 267.289 -1.295 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)Cc2cnoc2)[C@@H](O)C1 ZINC001090514336 776798019 /nfs/dbraw/zinc/79/80/19/776798019.db2.gz NUYYNBZKVYLNPQ-UWVGGRQHSA-N 1 2 282.300 -1.746 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)Cc2cnoc2)[C@@H](O)C1 ZINC001090514336 776798025 /nfs/dbraw/zinc/79/80/25/776798025.db2.gz NUYYNBZKVYLNPQ-UWVGGRQHSA-N 1 2 282.300 -1.746 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)Cc2cnoc2)[C@H](O)C1 ZINC001090514339 776798108 /nfs/dbraw/zinc/79/81/08/776798108.db2.gz NUYYNBZKVYLNPQ-VHSXEESVSA-N 1 2 282.300 -1.746 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)Cc2cnoc2)[C@H](O)C1 ZINC001090514339 776798111 /nfs/dbraw/zinc/79/81/11/776798111.db2.gz NUYYNBZKVYLNPQ-VHSXEESVSA-N 1 2 282.300 -1.746 20 0 CAADLO CC[C@@H](C(=O)NCCNCc1nc(=O)n(C)[nH]1)[NH+](C)C ZINC001133982653 776799998 /nfs/dbraw/zinc/79/99/98/776799998.db2.gz GFQCYYGZGRMCHT-VIFPVBQESA-N 1 2 284.364 -1.346 20 0 CAADLO Cn1nnc(C[NH2+]CCCNC(=O)Cc2nc[nH]n2)n1 ZINC001170717294 776800296 /nfs/dbraw/zinc/80/02/96/776800296.db2.gz MQWUMPYMDAZLLN-UHFFFAOYSA-N 1 2 279.308 -1.833 20 0 CAADLO C[C@H]([NH2+]CCCNC(=O)Cc1nnc[nH]1)c1nnnn1C ZINC001170717088 776800361 /nfs/dbraw/zinc/80/03/61/776800361.db2.gz DVNNXQIXHBKGFO-QMMMGPOBSA-N 1 2 293.335 -1.272 20 0 CAADLO C[C@@H]([NH2+]CCNC(=O)CCc1cn[nH]n1)c1nnnn1C ZINC001134016917 776800810 /nfs/dbraw/zinc/80/08/10/776800810.db2.gz XQVAIGQXJVFZLA-MRVPVSSYSA-N 1 2 293.335 -1.272 20 0 CAADLO C[C@@H]1CCO[C@@H]1C(=O)NCC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001134033683 776801361 /nfs/dbraw/zinc/80/13/61/776801361.db2.gz XOKZUXHAXSNDNS-SCZZXKLOSA-N 1 2 283.332 -1.261 20 0 CAADLO CS(=O)(=O)CC[NH2+]CCNC(=O)CCc1cnn[nH]1 ZINC001134014117 776801607 /nfs/dbraw/zinc/80/16/07/776801607.db2.gz NPVCWWHEVUANDI-UHFFFAOYSA-N 1 2 289.361 -1.512 20 0 CAADLO Cn1nnnc1C[NH2+]CCCNC(=O)Cc1nnc[nH]1 ZINC001170717903 776802126 /nfs/dbraw/zinc/80/21/26/776802126.db2.gz YHVLBNXZTIDMRP-UHFFFAOYSA-N 1 2 279.308 -1.833 20 0 CAADLO Cn1[nH]c(C[NH2+]CCNC(=O)CCc2cn[nH]n2)nc1=O ZINC001134014349 776802873 /nfs/dbraw/zinc/80/28/73/776802873.db2.gz STAKTFGJLVBZNT-UHFFFAOYSA-N 1 2 294.319 -1.935 20 0 CAADLO Cn1[nH]c(C[NH2+]CCNC(=O)CCc2c[nH]nn2)nc1=O ZINC001134014349 776802881 /nfs/dbraw/zinc/80/28/81/776802881.db2.gz STAKTFGJLVBZNT-UHFFFAOYSA-N 1 2 294.319 -1.935 20 0 CAADLO Cn1[nH]c(C[NH2+]CCNC(=O)c2ccnnc2)nc1=O ZINC001134284313 776810549 /nfs/dbraw/zinc/81/05/49/776810549.db2.gz UHPRYAJBLXFKGX-UHFFFAOYSA-N 1 2 277.288 -1.582 20 0 CAADLO O=C(NCC[NH2+]Cc1cnon1)[C@@H]1CC(=O)NC(=O)N1 ZINC001134455250 776815261 /nfs/dbraw/zinc/81/52/61/776815261.db2.gz BOOPITVDYQESQN-ZETCQYMHSA-N 1 2 282.260 -2.127 20 0 CAADLO Cc1noc(C[NH2+]CCNC(=O)[C@@H]2CC(=O)NC(=O)N2)n1 ZINC001134460516 776818080 /nfs/dbraw/zinc/81/80/80/776818080.db2.gz BVYUUFPFIFIONH-ZETCQYMHSA-N 1 2 296.287 -1.818 20 0 CAADLO Cc1nonc1C[NH2+]CCNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001134460538 776818107 /nfs/dbraw/zinc/81/81/07/776818107.db2.gz BZZDFZBYQXXKIN-ZETCQYMHSA-N 1 2 296.287 -1.818 20 0 CAADLO Cc1ccnn1CC(=O)NCC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001134513338 776820011 /nfs/dbraw/zinc/82/00/11/776820011.db2.gz MRHUPZYYPFLQBY-UHFFFAOYSA-N 1 2 293.331 -1.481 20 0 CAADLO Cc1ncc(C(=O)N[C@H]2CC[N@H+](CC(N)=O)C[C@H]2O)n1C ZINC001090519960 776824246 /nfs/dbraw/zinc/82/42/46/776824246.db2.gz MPTHMLUYVUGKQJ-GXSJLCMTSA-N 1 2 295.343 -1.621 20 0 CAADLO Cc1ncc(C(=O)N[C@H]2CC[N@@H+](CC(N)=O)C[C@H]2O)n1C ZINC001090519960 776824256 /nfs/dbraw/zinc/82/42/56/776824256.db2.gz MPTHMLUYVUGKQJ-GXSJLCMTSA-N 1 2 295.343 -1.621 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2c[nH]c(=O)cn2)[C@H](O)C1 ZINC001090521600 776836078 /nfs/dbraw/zinc/83/60/78/776836078.db2.gz AFWSURFXLSTTCR-VXNVDRBHSA-N 1 2 295.299 -2.580 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)c2c[nH]c(=O)cn2)[C@H](O)C1 ZINC001090521600 776836086 /nfs/dbraw/zinc/83/60/86/776836086.db2.gz AFWSURFXLSTTCR-VXNVDRBHSA-N 1 2 295.299 -2.580 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)c2c[nH]c(=O)cn2)[C@H](O)C1 ZINC001090521598 776836499 /nfs/dbraw/zinc/83/64/99/776836499.db2.gz AFWSURFXLSTTCR-IONNQARKSA-N 1 2 295.299 -2.580 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)c2c[nH]c(=O)cn2)[C@H](O)C1 ZINC001090521598 776836505 /nfs/dbraw/zinc/83/65/05/776836505.db2.gz AFWSURFXLSTTCR-IONNQARKSA-N 1 2 295.299 -2.580 20 0 CAADLO Cc1nc(C[NH2+][C@@H](CO)CNC(=O)C(N)=O)sc1C ZINC001283795363 777917914 /nfs/dbraw/zinc/91/79/14/777917914.db2.gz DYPVMZJFSUKKDH-MRVPVSSYSA-N 1 2 286.357 -1.188 20 0 CAADLO Cc1cnc(C[NH2+][C@H](CO)CNC(=O)C(N)=O)s1 ZINC001283797049 777917986 /nfs/dbraw/zinc/91/79/86/777917986.db2.gz KXJXIJAWTATONN-ZETCQYMHSA-N 1 2 272.330 -1.496 20 0 CAADLO COc1nscc1C[NH2+][C@@H](CO)CNC(=O)C(N)=O ZINC001283795773 777918411 /nfs/dbraw/zinc/91/84/11/777918411.db2.gz HIPNEPVIWDJBTB-SSDOTTSWSA-N 1 2 288.329 -1.796 20 0 CAADLO Cn1cc(C[NH2+][C@H](CO)CNC(=O)[C@H]2CCNC2=O)nn1 ZINC001283792666 777918423 /nfs/dbraw/zinc/91/84/23/777918423.db2.gz NGIYAYLRUAEZMS-UWVGGRQHSA-N 1 2 296.331 -2.482 20 0 CAADLO Cn1cc(C[NH2+][C@@H](CO)CNC(=O)[C@H]2CCNC2=O)nn1 ZINC001283792668 777918596 /nfs/dbraw/zinc/91/85/96/777918596.db2.gz NGIYAYLRUAEZMS-ZJUUUORDSA-N 1 2 296.331 -2.482 20 0 CAADLO NC(=O)C(=O)NCCC[NH+]1CCN(C(=O)C(N)=O)CC1 ZINC001283821208 777921173 /nfs/dbraw/zinc/92/11/73/777921173.db2.gz OBGFPESTIUEBDI-UHFFFAOYSA-N 1 2 285.304 -3.393 20 0 CAADLO NC(=O)CC(=O)N[C@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001283847940 777923714 /nfs/dbraw/zinc/92/37/14/777923714.db2.gz KPPUSOBPLSCGDZ-JTQLQIEISA-N 1 2 293.327 -1.134 20 0 CAADLO NC(=O)C(=O)N1CC[C@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001283872077 777923945 /nfs/dbraw/zinc/92/39/45/777923945.db2.gz QTORFUJVNWQBEN-VIFPVBQESA-N 1 2 279.300 -1.455 20 0 CAADLO NC(=O)C(=O)N1CC[C@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001283872077 777923948 /nfs/dbraw/zinc/92/39/48/777923948.db2.gz QTORFUJVNWQBEN-VIFPVBQESA-N 1 2 279.300 -1.455 20 0 CAADLO NC(=O)CC(=O)NC[C@@H](NC(=O)Cc1[nH]cc[nH+]1)C1CC1 ZINC001283928302 777924927 /nfs/dbraw/zinc/92/49/27/777924927.db2.gz ZCIPTVISSYDQRM-SECBINFHSA-N 1 2 293.327 -1.161 20 0 CAADLO CNC(=O)CC(=O)N1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001283897125 777925387 /nfs/dbraw/zinc/92/53/87/777925387.db2.gz DMWXFJKOKMOWHS-VIFPVBQESA-N 1 2 293.327 -1.195 20 0 CAADLO NC(=O)C(=O)N[C@H]1C[C@H](NC(=O)CCCn2cc[nH+]c2)C1 ZINC001284058180 777927671 /nfs/dbraw/zinc/92/76/71/777927671.db2.gz DKHHQHRARVXIEJ-MGCOHNPYSA-N 1 2 293.327 -1.088 20 0 CAADLO C[C@H](CNC(=O)[C@@H]1CCc2c[nH+]cn2C1)NC(=O)C(N)=O ZINC001284268844 777933382 /nfs/dbraw/zinc/93/33/82/777933382.db2.gz PZSFMAZCDMWVQZ-RKDXNWHRSA-N 1 2 293.327 -1.448 20 0 CAADLO Cc1[nH+]c[nH]c1CC(=O)NC[C@H](C)NC(=O)CC(N)=O ZINC001284296010 777933524 /nfs/dbraw/zinc/93/35/24/777933524.db2.gz WQSUEFDJBNQGQM-ZETCQYMHSA-N 1 2 281.316 -1.243 20 0 CAADLO C[C@@H](CNC(=O)C(N)=O)NC(=O)Cc1c[nH]c[nH+]1 ZINC001284317343 777935161 /nfs/dbraw/zinc/93/51/61/777935161.db2.gz CJAPWFUQNABSPH-LURJTMIESA-N 1 2 253.262 -1.942 20 0 CAADLO NC(=O)C(=O)NC[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001284390234 777937867 /nfs/dbraw/zinc/93/78/67/777937867.db2.gz SUDFPURVDCXBSE-QMMMGPOBSA-N 1 2 279.300 -1.598 20 0 CAADLO NC(=O)C(=O)NC[C@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001284377157 777937941 /nfs/dbraw/zinc/93/79/41/777937941.db2.gz BEJFJTWBVDFTLM-SNVBAGLBSA-N 1 2 293.327 -1.277 20 0 CAADLO C[C@H](CCNC(=O)Cn1cc[nH+]c1)NC(=O)C(N)=O ZINC001284442240 777942677 /nfs/dbraw/zinc/94/26/77/777942677.db2.gz XCFSPYHHAGAWLP-MRVPVSSYSA-N 1 2 267.289 -1.621 20 0 CAADLO C[C@@H]([NH2+]C[C@H](O)CN(C)C(=O)C(N)=O)c1csnn1 ZINC001284445292 777942933 /nfs/dbraw/zinc/94/29/33/777942933.db2.gz RIVOHKORAMBYGX-RQJHMYQMSA-N 1 2 287.345 -1.507 20 0 CAADLO CN(C[C@H](O)C[N@H+](C)Cc1nccs1)C(=O)C(N)=O ZINC001284509276 777947020 /nfs/dbraw/zinc/94/70/20/777947020.db2.gz KUAZNPAHBLSXGA-MRVPVSSYSA-N 1 2 286.357 -1.121 20 0 CAADLO CN(C[C@H](O)C[N@@H+](C)Cc1nccs1)C(=O)C(N)=O ZINC001284509276 777947026 /nfs/dbraw/zinc/94/70/26/777947026.db2.gz KUAZNPAHBLSXGA-MRVPVSSYSA-N 1 2 286.357 -1.121 20 0 CAADLO CN(CCNC(=O)CC(N)=O)C(=O)Cc1[nH]cc[nH+]1 ZINC001284505125 777947387 /nfs/dbraw/zinc/94/73/87/777947387.db2.gz HVUHIUGIKOGBPA-UHFFFAOYSA-N 1 2 267.289 -1.598 20 0 CAADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCCN(C)C(=O)C(N)=O ZINC001284531602 777947888 /nfs/dbraw/zinc/94/78/88/777947888.db2.gz NWDONTFIRSPBRV-QMMMGPOBSA-N 1 2 281.316 -1.352 20 0 CAADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCCN(C)C(=O)C(N)=O ZINC001284531602 777947896 /nfs/dbraw/zinc/94/78/96/777947896.db2.gz NWDONTFIRSPBRV-QMMMGPOBSA-N 1 2 281.316 -1.352 20 0 CAADLO C[C@@H](c1ncccn1)[N@H+](C)C[C@H](O)CN(C)C(=O)C(N)=O ZINC001284510223 777948690 /nfs/dbraw/zinc/94/86/90/777948690.db2.gz VQHZPULXHRDEIM-UWVGGRQHSA-N 1 2 295.343 -1.226 20 0 CAADLO C[C@@H](c1ncccn1)[N@@H+](C)C[C@H](O)CN(C)C(=O)C(N)=O ZINC001284510223 777948696 /nfs/dbraw/zinc/94/86/96/777948696.db2.gz VQHZPULXHRDEIM-UWVGGRQHSA-N 1 2 295.343 -1.226 20 0 CAADLO CNC(=O)[C@H](C)[N@H+](CCNC(=O)C(N)=O)CCOC ZINC001284656819 777954235 /nfs/dbraw/zinc/95/42/35/777954235.db2.gz ALUKIMWYCZAFOC-QMMMGPOBSA-N 1 2 274.321 -2.329 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+](CCNC(=O)C(N)=O)CCOC ZINC001284656819 777954242 /nfs/dbraw/zinc/95/42/42/777954242.db2.gz ALUKIMWYCZAFOC-QMMMGPOBSA-N 1 2 274.321 -2.329 20 0 CAADLO NC(=O)CC(=O)NC[C@H]1CCCN1C(=O)Cn1cc[nH+]c1 ZINC001284671510 777954267 /nfs/dbraw/zinc/95/42/67/777954267.db2.gz UKEMCTCNSDRPFB-SNVBAGLBSA-N 1 2 293.327 -1.134 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+](CCNC(=O)C(N)=O)CCOC ZINC001284656815 777954604 /nfs/dbraw/zinc/95/46/04/777954604.db2.gz ALUKIMWYCZAFOC-MRVPVSSYSA-N 1 2 274.321 -2.329 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+](CCNC(=O)C(N)=O)CCOC ZINC001284656815 777954608 /nfs/dbraw/zinc/95/46/08/777954608.db2.gz ALUKIMWYCZAFOC-MRVPVSSYSA-N 1 2 274.321 -2.329 20 0 CAADLO NC(=O)C(=O)N1CCC[C@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001284871447 777956825 /nfs/dbraw/zinc/95/68/25/777956825.db2.gz SXOJGPKNAIDFRG-JTQLQIEISA-N 1 2 293.327 -1.065 20 0 CAADLO NC(=O)C(=O)N1CCC[C@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001284871447 777956830 /nfs/dbraw/zinc/95/68/30/777956830.db2.gz SXOJGPKNAIDFRG-JTQLQIEISA-N 1 2 293.327 -1.065 20 0 CAADLO NC(=O)C(=O)N1CCC[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001284870637 777957375 /nfs/dbraw/zinc/95/73/75/777957375.db2.gz HNWPAOPQBRJKRC-JTQLQIEISA-N 1 2 293.327 -1.134 20 0 CAADLO CN(C[C@H]1CCN(C(=O)C(N)=O)C1)C(=O)Cc1c[nH+]c[nH]1 ZINC001284839575 777957569 /nfs/dbraw/zinc/95/75/69/777957569.db2.gz DPYYTKNNYQSMEQ-SECBINFHSA-N 1 2 293.327 -1.256 20 0 CAADLO NC(=O)CC(=O)N1CC(NC(=O)CCCn2cc[nH+]c2)C1 ZINC001284918586 777961749 /nfs/dbraw/zinc/96/17/49/777961749.db2.gz VSHCFZADMXCJED-UHFFFAOYSA-N 1 2 293.327 -1.134 20 0 CAADLO NC(=O)CC(=O)N1CC(CNC(=O)CCn2cc[nH+]c2)C1 ZINC001284981997 777964292 /nfs/dbraw/zinc/96/42/92/777964292.db2.gz DXORDQZTYHXFFE-UHFFFAOYSA-N 1 2 293.327 -1.277 20 0 CAADLO CCN(C(=O)Cn1cc[nH+]c1)[C@@H]1CCN(C(=O)C(N)=O)C1 ZINC001285020453 777965871 /nfs/dbraw/zinc/96/58/71/777965871.db2.gz SPZMFPFMHYUIJG-SNVBAGLBSA-N 1 2 293.327 -1.182 20 0 CAADLO CC[C@H](CNC(=O)C(N)=O)NC(=O)CCn1cc[nH+]c1 ZINC001285094762 777967157 /nfs/dbraw/zinc/96/71/57/777967157.db2.gz WIVSYCLJXWZSTA-SECBINFHSA-N 1 2 281.316 -1.231 20 0 CAADLO C[C@H](CNC(=O)CC(N)=O)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001285214313 777968435 /nfs/dbraw/zinc/96/84/35/777968435.db2.gz MPBCWJBDWNDRAL-QMMMGPOBSA-N 1 2 281.316 -1.304 20 0 CAADLO CC(C)[C@H](CNC(=O)Cc1c[nH+]cn1C)NC(=O)C(N)=O ZINC001285337651 777971616 /nfs/dbraw/zinc/97/16/16/777971616.db2.gz ULIPBRQSEGWLBI-JTQLQIEISA-N 1 2 295.343 -1.295 20 0 CAADLO CN(CC(C)(C)CNC(=O)C(N)=O)C(=O)Cn1cc[nH+]c1 ZINC001285518830 777979489 /nfs/dbraw/zinc/97/94/89/777979489.db2.gz BOZHTFYPOGLHSD-UHFFFAOYSA-N 1 2 295.343 -1.031 20 0 CAADLO C[C@H](CNC(=O)CC(N)=O)NC(=O)CCn1cc[nH+]c1 ZINC001285674621 777982517 /nfs/dbraw/zinc/98/25/17/777982517.db2.gz MONXSHXOWYSUTC-SECBINFHSA-N 1 2 281.316 -1.231 20 0 CAADLO C[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)NC(=O)C(N)=O ZINC001285691217 777983425 /nfs/dbraw/zinc/98/34/25/777983425.db2.gz FFGZRARUXIDNPJ-IWSPIJDZSA-N 1 2 293.327 -1.370 20 0 CAADLO C[C@H](CNC(=O)Cc1[nH]cc[nH+]1)NC(=O)C(N)=O ZINC001285693031 777984749 /nfs/dbraw/zinc/98/47/49/777984749.db2.gz UURVTYBUZLRKDD-ZCFIWIBFSA-N 1 2 253.262 -1.942 20 0 CAADLO C[C@@H](CNC(=O)[C@@H]1CCn2c[nH+]cc2C1)NC(=O)C(N)=O ZINC001285772340 777987240 /nfs/dbraw/zinc/98/72/40/777987240.db2.gz QRQZKXBSRJLXDC-DTWKUNHWSA-N 1 2 293.327 -1.448 20 0 CAADLO C[C@@H](CNC(=O)C(N)=O)NC(=O)CCc1[nH+]ccn1C ZINC001285765879 777987440 /nfs/dbraw/zinc/98/74/40/777987440.db2.gz WICBHFPMVHLELU-QMMMGPOBSA-N 1 2 281.316 -1.541 20 0 CAADLO C[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)N(C)C(=O)CC(N)=O ZINC001285814142 777988012 /nfs/dbraw/zinc/98/80/12/777988012.db2.gz TZXFVWXPXDEGPC-QMMMGPOBSA-N 1 2 281.316 -1.209 20 0 CAADLO C[C@@H](CNC(=O)CCc1c[nH+]cn1C)N(C)C(=O)C(N)=O ZINC001285776469 777988199 /nfs/dbraw/zinc/98/81/99/777988199.db2.gz COVZQLFYEMQOBT-VIFPVBQESA-N 1 2 295.343 -1.199 20 0 CAADLO CNC(=O)CC(=O)N1CC[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001285880165 777990328 /nfs/dbraw/zinc/99/03/28/777990328.db2.gz XIPMFWPMTXUSPI-JTQLQIEISA-N 1 2 293.327 -1.264 20 0 CAADLO NC(=O)CC(=O)N1CC[C@@H]1CNC(=O)CCc1c[nH]c[nH+]1 ZINC001285872301 777990424 /nfs/dbraw/zinc/99/04/24/777990424.db2.gz QNCSQHWOUHFFCB-SNVBAGLBSA-N 1 2 293.327 -1.065 20 0 CAADLO NC(=O)CC(=O)N1CC[C@@H]1CNC(=O)CCc1c[nH+]c[nH]1 ZINC001285872301 777990431 /nfs/dbraw/zinc/99/04/31/777990431.db2.gz QNCSQHWOUHFFCB-SNVBAGLBSA-N 1 2 293.327 -1.065 20 0 CAADLO NC(=O)CC(=O)N1CC[C@H]1CNC(=O)CCc1c[nH]c[nH+]1 ZINC001285872299 777990545 /nfs/dbraw/zinc/99/05/45/777990545.db2.gz QNCSQHWOUHFFCB-JTQLQIEISA-N 1 2 293.327 -1.065 20 0 CAADLO NC(=O)CC(=O)N1CC[C@H]1CNC(=O)CCc1c[nH+]c[nH]1 ZINC001285872299 777990551 /nfs/dbraw/zinc/99/05/51/777990551.db2.gz QNCSQHWOUHFFCB-JTQLQIEISA-N 1 2 293.327 -1.065 20 0 CAADLO C[N@@H+]1CCO[C@@H](C(=O)NC2(CNC(=O)CC(N)=O)CC2)C1 ZINC001285914715 777993222 /nfs/dbraw/zinc/99/32/22/777993222.db2.gz NWEYZDRLYCZAFW-SECBINFHSA-N 1 2 298.343 -2.043 20 0 CAADLO C[N@H+]1CCO[C@@H](C(=O)NC2(CNC(=O)CC(N)=O)CC2)C1 ZINC001285914715 777993223 /nfs/dbraw/zinc/99/32/23/777993223.db2.gz NWEYZDRLYCZAFW-SECBINFHSA-N 1 2 298.343 -2.043 20 0 CAADLO NC(=O)C(=O)NCCCOCCNC(=O)Cc1[nH]cc[nH+]1 ZINC001287489549 778002034 /nfs/dbraw/zinc/00/20/34/778002034.db2.gz MGLFZQNALAAREW-UHFFFAOYSA-N 1 2 297.315 -1.923 20 0 CAADLO CN(CCOCCNC(=O)C(N)=O)C(=O)Cn1cc[nH+]c1 ZINC001287426470 778002085 /nfs/dbraw/zinc/00/20/85/778002085.db2.gz QVDBIQPCZGHVGB-UHFFFAOYSA-N 1 2 297.315 -2.040 20 0 CAADLO C[C@@H](CN(C)C(=O)C(N)=O)NC(=O)Cc1c[nH]c[nH+]1 ZINC001287704981 778003560 /nfs/dbraw/zinc/00/35/60/778003560.db2.gz COQHXMKBMBDRPA-ZETCQYMHSA-N 1 2 267.289 -1.599 20 0 CAADLO CCC(=O)NC[C@@H](CO)NC(=O)Cc1c[nH+]cn1C ZINC001287731687 778006504 /nfs/dbraw/zinc/00/65/04/778006504.db2.gz LBRQHIJWUUEAOL-VIFPVBQESA-N 1 2 268.317 -1.034 20 0 CAADLO NC(=O)CC(=O)N[C@@H](CO)CNC(=O)CCn1cc[nH+]c1 ZINC001287809697 778011079 /nfs/dbraw/zinc/01/10/79/778011079.db2.gz LQTZGWMCRIIBII-SECBINFHSA-N 1 2 297.315 -2.258 20 0 CAADLO NC(=O)CC(=O)N[C@H](CO)CNC(=O)CCn1cc[nH+]c1 ZINC001287809700 778011138 /nfs/dbraw/zinc/01/11/38/778011138.db2.gz LQTZGWMCRIIBII-VIFPVBQESA-N 1 2 297.315 -2.258 20 0 CAADLO CC(=O)N[C@@H](CO)CNC(=O)CCc1c[nH+]cn1C ZINC001287825042 778012421 /nfs/dbraw/zinc/01/24/21/778012421.db2.gz PJGVICALFUFPQL-SNVBAGLBSA-N 1 2 268.317 -1.034 20 0 CAADLO O=C(Cc1[nH]cc[nH+]1)NC[C@@H](CO)NC(=O)C1CC1 ZINC001287830316 778012535 /nfs/dbraw/zinc/01/25/35/778012535.db2.gz NPCCIVRTFQBZLW-VIFPVBQESA-N 1 2 266.301 -1.045 20 0 CAADLO CC(=O)N(C)C[C@@H](O)CNC(=O)Cn1cc[nH+]c1 ZINC001288055294 778016164 /nfs/dbraw/zinc/01/61/64/778016164.db2.gz HISJTFQHXSJKBF-JTQLQIEISA-N 1 2 254.290 -1.162 20 0 CAADLO NC(=O)C(=O)N[C@H]1CC[C@@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001288052784 778016413 /nfs/dbraw/zinc/01/64/13/778016413.db2.gz UJBMJKLXWFXRTA-ZJUUUORDSA-N 1 2 293.327 -1.231 20 0 CAADLO NC(=O)C(=O)NCCC1(CNC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001288787098 778021222 /nfs/dbraw/zinc/02/12/22/778021222.db2.gz YCOCPJGGXWUIMA-UHFFFAOYSA-N 1 2 293.327 -1.160 20 0 CAADLO NC(=O)C(=O)N[C@H]1C[C@@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001290049391 778026713 /nfs/dbraw/zinc/02/67/13/778026713.db2.gz GGXDIVQBAOVOAW-DTORHVGOSA-N 1 2 279.300 -1.621 20 0 CAADLO O=C(CN1CCC(=O)NC1=O)NCCn1cc[nH+]c1 ZINC001290855263 778031246 /nfs/dbraw/zinc/03/12/46/778031246.db2.gz VKBFWBBFXRUCKD-UHFFFAOYSA-N 1 2 265.273 -1.059 20 0 CAADLO CC(=O)N[C@H](C)C(=O)NCCNC(=O)Cc1[nH]cc[nH+]1 ZINC001292473112 778035387 /nfs/dbraw/zinc/03/53/87/778035387.db2.gz UGNRJGSPMGQSIM-MRVPVSSYSA-N 1 2 281.316 -1.291 20 0 CAADLO CCC(=O)NCC(=O)NCCNC(=O)Cc1c[nH]c[nH+]1 ZINC001292585793 778039861 /nfs/dbraw/zinc/03/98/61/778039861.db2.gz FUGWZDWVJKDTHY-UHFFFAOYSA-N 1 2 281.316 -1.289 20 0 CAADLO NC(=O)CC(=O)NCCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001292599309 778042362 /nfs/dbraw/zinc/04/23/62/778042362.db2.gz WCBGOWNJFKFCNF-VIFPVBQESA-N 1 2 293.327 -1.447 20 0 CAADLO O=C(Cc1[nH]cc[nH+]1)NCCNC(=O)[C@H]1COC(=O)N1 ZINC001292690235 778045501 /nfs/dbraw/zinc/04/55/01/778045501.db2.gz ZAHBJMSNJUQDDD-SSDOTTSWSA-N 1 2 281.272 -1.707 20 0 CAADLO NC(=O)NCCC(=O)NCCNC(=O)CCn1cc[nH+]c1 ZINC001292723961 778046202 /nfs/dbraw/zinc/04/62/02/778046202.db2.gz OIZJDJURANAQIF-UHFFFAOYSA-N 1 2 296.331 -1.436 20 0 CAADLO CC[N@@H+]1CCO[C@@H](C(=O)NCCNC(=O)c2cn[nH]n2)C1 ZINC001292815036 778048596 /nfs/dbraw/zinc/04/85/96/778048596.db2.gz JPLYIKTWQSPLKI-SNVBAGLBSA-N 1 2 296.331 -1.629 20 0 CAADLO CC[N@H+]1CCO[C@@H](C(=O)NCCNC(=O)c2cn[nH]n2)C1 ZINC001292815036 778048605 /nfs/dbraw/zinc/04/86/05/778048605.db2.gz JPLYIKTWQSPLKI-SNVBAGLBSA-N 1 2 296.331 -1.629 20 0 CAADLO CC[N@@H+]1CCO[C@@H](C(=O)NCCNC(=O)c2cnn[nH]2)C1 ZINC001292815036 778048615 /nfs/dbraw/zinc/04/86/15/778048615.db2.gz JPLYIKTWQSPLKI-SNVBAGLBSA-N 1 2 296.331 -1.629 20 0 CAADLO CC[N@H+]1CCO[C@@H](C(=O)NCCNC(=O)c2cnn[nH]2)C1 ZINC001292815036 778048625 /nfs/dbraw/zinc/04/86/25/778048625.db2.gz JPLYIKTWQSPLKI-SNVBAGLBSA-N 1 2 296.331 -1.629 20 0 CAADLO O=C(CC[NH+]1CCOCC1)NCCNC(=O)c1nnc[nH]1 ZINC001292982481 778050612 /nfs/dbraw/zinc/05/06/12/778050612.db2.gz LEWVABVNMVPYTP-UHFFFAOYSA-N 1 2 296.331 -1.627 20 0 CAADLO O=C(CC[NH+]1CCOCC1)NCCNC(=O)c1ncn[nH]1 ZINC001292982481 778050618 /nfs/dbraw/zinc/05/06/18/778050618.db2.gz LEWVABVNMVPYTP-UHFFFAOYSA-N 1 2 296.331 -1.627 20 0 CAADLO O=C(CC[NH+]1CCOCC1)NCCNC(=O)c1nc[nH]n1 ZINC001292982481 778050629 /nfs/dbraw/zinc/05/06/29/778050629.db2.gz LEWVABVNMVPYTP-UHFFFAOYSA-N 1 2 296.331 -1.627 20 0 CAADLO NC(=O)C1(C(=O)NCCNC(=O)CCn2cc[nH+]c2)CC1 ZINC001293008813 778052127 /nfs/dbraw/zinc/05/21/27/778052127.db2.gz HNWGDCVNHXDMFP-UHFFFAOYSA-N 1 2 293.327 -1.229 20 0 CAADLO NC(=O)CC(=O)N1CC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001293551140 778059813 /nfs/dbraw/zinc/05/98/13/778059813.db2.gz HGSVNEJMIPKHND-SNVBAGLBSA-N 1 2 293.327 -1.065 20 0 CAADLO NC(=O)CC(=O)N1CC[C@@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001293551140 778059826 /nfs/dbraw/zinc/05/98/26/778059826.db2.gz HGSVNEJMIPKHND-SNVBAGLBSA-N 1 2 293.327 -1.065 20 0 CAADLO CN(CCCNC(=O)C(N)=O)C(=O)Cc1c[nH+]c[nH]1 ZINC001294283658 778065215 /nfs/dbraw/zinc/06/52/15/778065215.db2.gz IWEKMWDNIUKCSA-UHFFFAOYSA-N 1 2 267.289 -1.598 20 0 CAADLO NC(=O)C(=O)N1CC[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001295068665 778071697 /nfs/dbraw/zinc/07/16/97/778071697.db2.gz CFJZCLLGHPQKBF-VIFPVBQESA-N 1 2 279.300 -1.524 20 0 CAADLO NC(=O)CC(=O)N[C@H]1C[C@@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001295187216 778074966 /nfs/dbraw/zinc/07/49/66/778074966.db2.gz XJNLTXLXZZJPDS-AOOOYVTPSA-N 1 2 293.327 -1.019 20 0 CAADLO NC(=O)CC(=O)N[C@H]1C[C@@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001295187216 778074975 /nfs/dbraw/zinc/07/49/75/778074975.db2.gz XJNLTXLXZZJPDS-AOOOYVTPSA-N 1 2 293.327 -1.019 20 0 CAADLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)CNC(=O)CC(N)=O ZINC001295442925 778077001 /nfs/dbraw/zinc/07/70/01/778077001.db2.gz NAZIXRPXFMBPCW-ZETCQYMHSA-N 1 2 281.316 -1.243 20 0 CAADLO C[C@@H](CNC(=O)CC(N)=O)NC(=O)CCc1[nH]cc[nH+]1 ZINC001295448846 778078099 /nfs/dbraw/zinc/07/80/99/778078099.db2.gz LUNVIZJKALOQQO-QMMMGPOBSA-N 1 2 281.316 -1.161 20 0 CAADLO C[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)NC(=O)[C@H]1CCNC1=O ZINC001295623310 778082485 /nfs/dbraw/zinc/08/24/85/778082485.db2.gz OIWZMSOUDYPXAV-IUCAKERBSA-N 1 2 293.327 -1.291 20 0 CAADLO C[C@@H](CNC(=O)C(N)=O)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001295634722 778084409 /nfs/dbraw/zinc/08/44/09/778084409.db2.gz SZUJLUXVZPQVSC-IUCAKERBSA-N 1 2 293.327 -1.448 20 0 CAADLO NC(=O)C(=O)N1CC[C@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001295751436 778086618 /nfs/dbraw/zinc/08/66/18/778086618.db2.gz HRPPPZKJWKWSCX-SECBINFHSA-N 1 2 279.300 -1.667 20 0 CAADLO CCNC(=O)CC(=O)N(C)CCNC(=O)Cn1cc[nH+]c1 ZINC001296134460 778090972 /nfs/dbraw/zinc/09/09/72/778090972.db2.gz USAHGIWFQFUSNN-UHFFFAOYSA-N 1 2 295.343 -1.016 20 0 CAADLO CN(CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C(=O)C(N)=O ZINC001296127496 778091604 /nfs/dbraw/zinc/09/16/04/778091604.db2.gz CMXAEBXZBXOEMP-HTQZYQBOSA-N 1 2 279.300 -1.427 20 0 CAADLO CN(CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C(=O)C(N)=O ZINC001296127496 778091613 /nfs/dbraw/zinc/09/16/13/778091613.db2.gz CMXAEBXZBXOEMP-HTQZYQBOSA-N 1 2 279.300 -1.427 20 0 CAADLO CNC(=O)CC(=O)N(C)CCNC(=O)Cn1cc[nH+]c1 ZINC001296134026 778091713 /nfs/dbraw/zinc/09/17/13/778091713.db2.gz PWXFGSAZMYOWKP-UHFFFAOYSA-N 1 2 281.316 -1.406 20 0 CAADLO CN(CCNC(=O)Cc1c[nH+]cn1C)C(=O)CC(N)=O ZINC001296160147 778092157 /nfs/dbraw/zinc/09/21/57/778092157.db2.gz FPLJYGMJXJJSPJ-UHFFFAOYSA-N 1 2 281.316 -1.587 20 0 CAADLO CN(CCNC(=O)CCc1[nH+]ccn1C)C(=O)CC(N)=O ZINC001296187759 778093060 /nfs/dbraw/zinc/09/30/60/778093060.db2.gz SQGAJYWFIIBFNN-UHFFFAOYSA-N 1 2 295.343 -1.197 20 0 CAADLO CN(CCNC(=O)Cc1c[nH]c[nH+]1)C(=O)[C@H]1CCNC1=O ZINC001296254065 778094326 /nfs/dbraw/zinc/09/43/26/778094326.db2.gz XCWIWVVZQUKYBK-JTQLQIEISA-N 1 2 293.327 -1.337 20 0 CAADLO C[N@@H+]1CCO[C@H](C(=O)N2CCC[C@H]2CNC(=O)C(N)=O)C1 ZINC001296462769 778096532 /nfs/dbraw/zinc/09/65/32/778096532.db2.gz CBJPDSWCNWBRFO-UWVGGRQHSA-N 1 2 298.343 -2.091 20 0 CAADLO C[N@H+]1CCO[C@H](C(=O)N2CCC[C@H]2CNC(=O)C(N)=O)C1 ZINC001296462769 778096540 /nfs/dbraw/zinc/09/65/40/778096540.db2.gz CBJPDSWCNWBRFO-UWVGGRQHSA-N 1 2 298.343 -2.091 20 0 CAADLO NC(=O)CC(=O)N1CCC[C@@H]1CNC(=O)Cc1c[nH]c[nH+]1 ZINC001296475160 778098693 /nfs/dbraw/zinc/09/86/93/778098693.db2.gz YWJKRCOYCKRSOL-SNVBAGLBSA-N 1 2 293.327 -1.065 20 0 CAADLO NC(=O)C(=O)N(CCNC(=O)Cc1[nH]cc[nH+]1)C1CC1 ZINC001296618106 778099080 /nfs/dbraw/zinc/09/90/80/778099080.db2.gz HJNOOTFDOGTINZ-UHFFFAOYSA-N 1 2 279.300 -1.455 20 0 CAADLO NC(=O)CC(=O)NC1CN(C(=O)Cn2cc[nH+]c2)C1 ZINC001297027807 778103204 /nfs/dbraw/zinc/10/32/04/778103204.db2.gz OBWQKQCEPSCEGZ-UHFFFAOYSA-N 1 2 265.273 -1.915 20 0 CAADLO NC(=O)C(=O)NC[C@H]1CCC[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001298129382 778115346 /nfs/dbraw/zinc/11/53/46/778115346.db2.gz RVCUIAQJLJQUAA-NXEZZACHSA-N 1 2 293.327 -1.231 20 0 CAADLO CC(=O)NCC(=O)NC/C=C\CNC(=O)Cc1c[nH]c[nH+]1 ZINC001298223209 778119001 /nfs/dbraw/zinc/11/90/01/778119001.db2.gz CGUMBHTZUSZDFS-IHWYPQMZSA-N 1 2 293.327 -1.123 20 0 CAADLO C[C@H](CNC(=O)Cc1c[nH]c[nH+]1)NC(=O)C1(C(N)=O)CC1 ZINC001298694186 778123889 /nfs/dbraw/zinc/12/38/89/778123889.db2.gz QUCFODXCQZQIRY-MRVPVSSYSA-N 1 2 293.327 -1.161 20 0 CAADLO C[C@H](CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)NC(=O)C(N)=O ZINC001298693973 778124170 /nfs/dbraw/zinc/12/41/70/778124170.db2.gz KEQZTEUCJUKZGT-JGVFFNPUSA-N 1 2 281.316 -1.306 20 0 CAADLO C[C@H](CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)NC(=O)C(N)=O ZINC001298693973 778124174 /nfs/dbraw/zinc/12/41/74/778124174.db2.gz KEQZTEUCJUKZGT-JGVFFNPUSA-N 1 2 281.316 -1.306 20 0 CAADLO C[C@H](CNC(=O)C(N)=O)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001298710259 778124739 /nfs/dbraw/zinc/12/47/39/778124739.db2.gz XJXZNELGQXLSSF-IWSPIJDZSA-N 1 2 293.327 -1.370 20 0 CAADLO C[C@H](CNC(=O)Cn1cc[nH+]c1)NC(=O)C1(C(N)=O)CC1 ZINC001298694223 778125078 /nfs/dbraw/zinc/12/50/78/778125078.db2.gz SHFOMBZXRAQBDK-SECBINFHSA-N 1 2 293.327 -1.231 20 0 CAADLO Cn1c[nH+]cc1CCC(=O)NC[C@@H]1CCN1C(=O)C(N)=O ZINC001299077649 778129362 /nfs/dbraw/zinc/12/93/62/778129362.db2.gz GVMHVXCXWRMEEN-JTQLQIEISA-N 1 2 293.327 -1.445 20 0 CAADLO CC(C)(C(=O)N1CC(O)(C(N)=O)C1)c1c[nH+]c[nH]1 ZINC001301861138 778136441 /nfs/dbraw/zinc/13/64/41/778136441.db2.gz NSKJLSVXQHRBEC-UHFFFAOYSA-N 1 2 252.274 -1.254 20 0 CAADLO O=C(Cc1[nH]cc[nH+]1)N1CC2(C1)C[C@@H](O)CNC2=O ZINC001303533696 778140743 /nfs/dbraw/zinc/14/07/43/778140743.db2.gz PYFJSZGFVHTDFR-MRVPVSSYSA-N 1 2 264.285 -1.338 20 0 CAADLO C[C@H](C(=O)N1CC([NH2+]C2COC2)C1)S(C)(=O)=O ZINC001304208456 778143026 /nfs/dbraw/zinc/14/30/26/778143026.db2.gz MCQLPCAQDOREOJ-SSDOTTSWSA-N 1 2 262.331 -1.381 20 0 CAADLO C[C@@H](C(=O)N1CC(CC(N)=O)C1)[NH+]1CCN(C)CC1 ZINC001116885852 779515930 /nfs/dbraw/zinc/51/59/30/779515930.db2.gz DFUHBXWPNIUXFM-JTQLQIEISA-N 1 2 268.361 -1.044 20 0 CAADLO C[C@H](C(=O)N1CC(CC(N)=O)C1)[NH+]1CCN(C)CC1 ZINC001116885854 779516013 /nfs/dbraw/zinc/51/60/13/779516013.db2.gz DFUHBXWPNIUXFM-SNVBAGLBSA-N 1 2 268.361 -1.044 20 0 CAADLO Cn1c[nH+]cc1CC(=O)NC[C@H]1CC(C(N)=O)=NO1 ZINC001116882747 779516080 /nfs/dbraw/zinc/51/60/80/779516080.db2.gz HGEGREBVULUIDF-MRVPVSSYSA-N 1 2 265.273 -1.291 20 0 CAADLO Cn1c[nH+]cc1CC(=O)NC[C@@H]1CC(C(N)=O)=NO1 ZINC001116882751 779516570 /nfs/dbraw/zinc/51/65/70/779516570.db2.gz HGEGREBVULUIDF-QMMMGPOBSA-N 1 2 265.273 -1.291 20 0 CAADLO CN(CCO)C(=O)C(=O)NCCCn1cc[nH+]c1 ZINC001116976389 779520604 /nfs/dbraw/zinc/52/06/04/779520604.db2.gz AWPUSYPGQDWGMW-UHFFFAOYSA-N 1 2 254.290 -1.160 20 0 CAADLO CNC(=O)CCN(C)C(=O)C(=O)NCCn1cc[nH+]c1 ZINC001116991112 779521905 /nfs/dbraw/zinc/52/19/05/779521905.db2.gz VLUINYZJIXRQFQ-UHFFFAOYSA-N 1 2 281.316 -1.406 20 0 CAADLO CC[NH+]1CCN(C(=O)C(=O)NCCCC(=O)NC)CC1 ZINC001117063409 779523812 /nfs/dbraw/zinc/52/38/12/779523812.db2.gz TZEZCGIQPCXVGN-UHFFFAOYSA-N 1 2 284.360 -1.207 20 0 CAADLO CC[NH+]1CCN(C(=O)C(=O)NCc2nnn(C)n2)CC1 ZINC001117385457 779532405 /nfs/dbraw/zinc/53/24/05/779532405.db2.gz NSMPQBSSWNSTRB-UHFFFAOYSA-N 1 2 281.320 -2.010 20 0 CAADLO CNC(=O)[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)CCO1 ZINC001117450248 779535654 /nfs/dbraw/zinc/53/56/54/779535654.db2.gz PIFSCSBJLHMRFU-JTQLQIEISA-N 1 2 266.301 -1.064 20 0 CAADLO C[C@H](NC(=O)C(=O)NCCCn1cc[nH+]c1)C(=O)N(C)C ZINC001117454332 779536118 /nfs/dbraw/zinc/53/61/18/779536118.db2.gz BMVQBEVSUPFOPM-JTQLQIEISA-N 1 2 295.343 -1.018 20 0 CAADLO CC[NH+]1CCN(C(=O)C(=O)N[C@@H](C)C(=O)N(C)C)CC1 ZINC001117506997 779536871 /nfs/dbraw/zinc/53/68/71/779536871.db2.gz YASZUGLLHFDXIY-JTQLQIEISA-N 1 2 284.360 -1.257 20 0 CAADLO O=C1NC(=O)N2CC[N@H+](CCN3CCNC3=O)C[C@H]12 ZINC001117548111 779538217 /nfs/dbraw/zinc/53/82/17/779538217.db2.gz OPLCGNFAUXNDPC-MRVPVSSYSA-N 1 2 267.289 -1.752 20 0 CAADLO O=C1NC(=O)N2CC[N@@H+](CCN3CCNC3=O)C[C@H]12 ZINC001117548111 779538222 /nfs/dbraw/zinc/53/82/22/779538222.db2.gz OPLCGNFAUXNDPC-MRVPVSSYSA-N 1 2 267.289 -1.752 20 0 CAADLO CN1C[C@@H](C[NH+]2CCN(CC(N)=O)CC2)OC1=O ZINC001117705587 779541268 /nfs/dbraw/zinc/54/12/68/779541268.db2.gz XGHJCGUANKRJRT-VIFPVBQESA-N 1 2 256.306 -1.460 20 0 CAADLO CNS(=O)(=O)CC(=O)N1CCn2c[nH+]cc2C1 ZINC001117679619 779542271 /nfs/dbraw/zinc/54/22/71/779542271.db2.gz XXDAEUGPHGVVMC-UHFFFAOYSA-N 1 2 258.303 -1.226 20 0 CAADLO COCC[NH+]1CCN(C(=O)C(=O)Nc2ncn(C)n2)CC1 ZINC001117748593 779542645 /nfs/dbraw/zinc/54/26/45/779542645.db2.gz FSAAMIDEYMNETF-UHFFFAOYSA-N 1 2 296.331 -1.456 20 0 CAADLO COCCOC1CN(C(=O)C(=O)N2CC[NH+](C)CC2)C1 ZINC001117957667 779545865 /nfs/dbraw/zinc/54/58/65/779545865.db2.gz UHSCNSWGCKMZRX-UHFFFAOYSA-N 1 2 285.344 -1.366 20 0 CAADLO CN(C)c1noc(C[NH2+]CCC(=O)NC(N)=O)n1 ZINC001118091714 779547345 /nfs/dbraw/zinc/54/73/45/779547345.db2.gz ZHDKYOUUFKYCQI-UHFFFAOYSA-N 1 2 256.266 -1.190 20 0 CAADLO C[NH+]1CCN(C(=O)C(=O)N2CCC[C@H](OCCO)C2)CC1 ZINC001117984513 779547542 /nfs/dbraw/zinc/54/75/42/779547542.db2.gz OGGJPMPYWFJOEW-LBPRGKRZSA-N 1 2 299.371 -1.240 20 0 CAADLO O=C(C[NH2+]C[C@@H]1CCCO1)NCc1n[nH]c(=O)[nH]1 ZINC001118199658 779553525 /nfs/dbraw/zinc/55/35/25/779553525.db2.gz QRVYABXBSJTPIE-ZETCQYMHSA-N 1 2 255.278 -1.105 20 0 CAADLO NC(=O)Cn1ccc(NC(=O)[C@H]2CSC[NH2+]2)n1 ZINC001118265187 779557829 /nfs/dbraw/zinc/55/78/29/779557829.db2.gz UNYOSETVARVFSN-ZCFIWIBFSA-N 1 2 255.303 -1.031 20 0 CAADLO CCNC(=O)CC(=O)N1CC[NH2+]C[C@H]1C(=O)OCC ZINC001118260713 779558444 /nfs/dbraw/zinc/55/84/44/779558444.db2.gz GSQRDPPFOAGQDX-VIFPVBQESA-N 1 2 271.317 -1.124 20 0 CAADLO NS(=O)(=O)NC1CC[NH+](CC2OCCO2)CC1 ZINC001118846375 779590071 /nfs/dbraw/zinc/59/00/71/779590071.db2.gz IKXUJXYWYHNQOR-UHFFFAOYSA-N 1 2 265.335 -1.383 20 0 CAADLO CCON(C)C(=O)CNC(=O)C(=O)NCCn1cc[nH+]c1 ZINC001118342345 779566320 /nfs/dbraw/zinc/56/63/20/779566320.db2.gz FIFTXQAGOBZEQP-UHFFFAOYSA-N 1 2 297.315 -1.475 20 0 CAADLO O=C(Cc1[nH]cc[nH+]1)NCC(=O)N1CCOCC1 ZINC001118745614 779584091 /nfs/dbraw/zinc/58/40/91/779584091.db2.gz PHDAHDUSVCZEMJ-UHFFFAOYSA-N 1 2 252.274 -1.073 20 0 CAADLO C=CC(=O)N(C)CC(=O)N[C@H]1CCC[N@H+](CC(N)=O)C1 ZINC001118827881 779589541 /nfs/dbraw/zinc/58/95/41/779589541.db2.gz OIECGXOKSJKEIE-JTQLQIEISA-N 1 2 282.344 -1.303 20 0 CAADLO C=CC(=O)N(C)CC(=O)N[C@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001118827881 779589543 /nfs/dbraw/zinc/58/95/43/779589543.db2.gz OIECGXOKSJKEIE-JTQLQIEISA-N 1 2 282.344 -1.303 20 0 CAADLO CN1C(=O)CN(CC(=O)N[C@@H]2Cc3c[nH+]cn3C2)C1=O ZINC001118849039 779590118 /nfs/dbraw/zinc/59/01/18/779590118.db2.gz MVCSZCVBFMMBPZ-MRVPVSSYSA-N 1 2 277.284 -1.182 20 0 CAADLO CN1C(=O)CN(CC(=O)NCCn2cc[nH+]c2)C1=O ZINC001118905281 779596026 /nfs/dbraw/zinc/59/60/26/779596026.db2.gz IECDKILTIPQYPA-UHFFFAOYSA-N 1 2 265.273 -1.107 20 0 CAADLO C[NH+]1CCN(C(=O)C(=O)N2C[C@@H]3COC[C@@H]3C2)CC1 ZINC001119087775 779605510 /nfs/dbraw/zinc/60/55/10/779605510.db2.gz QBEJYHLAKQTRSN-PHIMTYICSA-N 1 2 267.329 -1.135 20 0 CAADLO Cn1cc(NC(=O)C(=O)N2CC[NH+](CCO)CC2)nn1 ZINC001119440114 779614590 /nfs/dbraw/zinc/61/45/90/779614590.db2.gz ZEQNJXUYVICPSN-UHFFFAOYSA-N 1 2 282.304 -2.110 20 0 CAADLO Cn1c[nH+]c(CCNC(=O)CCNC(=O)CO)c1 ZINC001119582054 779618146 /nfs/dbraw/zinc/61/81/46/779618146.db2.gz RCHLBVNXYLBEPH-UHFFFAOYSA-N 1 2 254.290 -1.423 20 0 CAADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1C[C@@H]1C(N)=O ZINC001119594118 779618892 /nfs/dbraw/zinc/61/88/92/779618892.db2.gz LJFGVFPXQOZCED-KXUCPTDWSA-N 1 2 255.318 -1.055 20 0 CAADLO C[C@@H]1COCC[N@H+]1CCNC(=O)[C@@H]1C[C@@H]1C(N)=O ZINC001119594118 779618895 /nfs/dbraw/zinc/61/88/95/779618895.db2.gz LJFGVFPXQOZCED-KXUCPTDWSA-N 1 2 255.318 -1.055 20 0 CAADLO C[C@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1C[C@@H]1C(N)=O ZINC001119594119 779619048 /nfs/dbraw/zinc/61/90/48/779619048.db2.gz LJFGVFPXQOZCED-LPEHRKFASA-N 1 2 255.318 -1.055 20 0 CAADLO C[C@H]1COCC[N@H+]1CCNC(=O)[C@@H]1C[C@@H]1C(N)=O ZINC001119594119 779619053 /nfs/dbraw/zinc/61/90/53/779619053.db2.gz LJFGVFPXQOZCED-LPEHRKFASA-N 1 2 255.318 -1.055 20 0 CAADLO CC[C@@H](C(=O)NC[C@H](O)CS(C)(=O)=O)[NH+](C)C ZINC001119975837 779630564 /nfs/dbraw/zinc/63/05/64/779630564.db2.gz NSFZWASPJKCGSK-IUCAKERBSA-N 1 2 266.363 -1.152 20 0 CAADLO Cn1c[nH+]cc1[C@@H](CO)NC(=O)C(=O)NC1CC1 ZINC001119658819 779622374 /nfs/dbraw/zinc/62/23/74/779622374.db2.gz GLLMWKYABKLORF-MRVPVSSYSA-N 1 2 252.274 -1.152 20 0 CAADLO C[C@H](C(=O)N1CC(S(N)(=O)=O)C1)n1cc[nH+]c1 ZINC001119649127 779622380 /nfs/dbraw/zinc/62/23/80/779622380.db2.gz HYMXOWPQSRYFHI-SSDOTTSWSA-N 1 2 258.303 -1.057 20 0 CAADLO C[N@@H+]1CCN(C(=O)CO[C@H]2CCOC2)C[C@@H]1CO ZINC001119662508 779623409 /nfs/dbraw/zinc/62/34/09/779623409.db2.gz GPOLZNVOIAHTRV-MNOVXSKESA-N 1 2 258.318 -1.073 20 0 CAADLO C[N@H+]1CCN(C(=O)CO[C@H]2CCOC2)C[C@@H]1CO ZINC001119662508 779623416 /nfs/dbraw/zinc/62/34/16/779623416.db2.gz GPOLZNVOIAHTRV-MNOVXSKESA-N 1 2 258.318 -1.073 20 0 CAADLO C[S@](=O)CC[N@@H+]1CCN2[C@@H](CNS2(=O)=O)C1 ZINC001119933876 779628456 /nfs/dbraw/zinc/62/84/56/779628456.db2.gz GXTSPXBEKYNBLR-AYVTZFPOSA-N 1 2 267.376 -1.801 20 0 CAADLO C[S@](=O)CC[N@H+]1CCN2[C@@H](CNS2(=O)=O)C1 ZINC001119933876 779628458 /nfs/dbraw/zinc/62/84/58/779628458.db2.gz GXTSPXBEKYNBLR-AYVTZFPOSA-N 1 2 267.376 -1.801 20 0 CAADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)CON)CC1 ZINC001121945542 779653741 /nfs/dbraw/zinc/65/37/41/779653741.db2.gz FRHQNZBUTJFFIO-UHFFFAOYSA-N 1 2 258.322 -1.453 20 0 CAADLO CCNC(=O)C[N@H+]1CCCN(C(=O)CON)CC1 ZINC001121945542 779653744 /nfs/dbraw/zinc/65/37/44/779653744.db2.gz FRHQNZBUTJFFIO-UHFFFAOYSA-N 1 2 258.322 -1.453 20 0 CAADLO CC[C@@H](C(=O)NC[C@@H](O)CS(C)(=O)=O)[NH+](C)C ZINC001119975835 779630255 /nfs/dbraw/zinc/63/02/55/779630255.db2.gz NSFZWASPJKCGSK-BDAKNGLRSA-N 1 2 266.363 -1.152 20 0 CAADLO CC[C@H](C(=O)NC[C@@H](O)CS(C)(=O)=O)[NH+](C)C ZINC001119975838 779630282 /nfs/dbraw/zinc/63/02/82/779630282.db2.gz NSFZWASPJKCGSK-RKDXNWHRSA-N 1 2 266.363 -1.152 20 0 CAADLO C[C@H](CNC(=O)C[C@H]1CC(=O)NC1=O)[NH+]1CCN(C)CC1 ZINC001119928371 779630495 /nfs/dbraw/zinc/63/04/95/779630495.db2.gz KRRZVQGMYATURJ-MNOVXSKESA-N 1 2 296.371 -1.209 20 0 CAADLO C[C@H](CNC(=O)C[C@@H]1CC(=O)NC1=O)[NH+]1CCN(C)CC1 ZINC001119928370 779630551 /nfs/dbraw/zinc/63/05/51/779630551.db2.gz KRRZVQGMYATURJ-GHMZBOCLSA-N 1 2 296.371 -1.209 20 0 CAADLO O=C(N[C@@H]1CNOC1)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC001120420997 779636735 /nfs/dbraw/zinc/63/67/35/779636735.db2.gz QTGDPNJQMORXQM-DTWKUNHWSA-N 1 2 279.300 -1.666 20 0 CAADLO C[NH+]1CCN(C(=O)C(=O)N2CC=C[C@@H]2CO)CC1 ZINC001120491639 779638521 /nfs/dbraw/zinc/63/85/21/779638521.db2.gz UWAABFMWRDXAFZ-SNVBAGLBSA-N 1 2 253.302 -1.480 20 0 CAADLO C[NH+]1CCN(C(=O)C(=O)N2CC=C[C@H]2CO)CC1 ZINC001120491637 779638685 /nfs/dbraw/zinc/63/86/85/779638685.db2.gz UWAABFMWRDXAFZ-JTQLQIEISA-N 1 2 253.302 -1.480 20 0 CAADLO Cc1nc(N(C)C)nc(N[C@H](C)CN(C)C(=O)C(N)=O)[nH+]1 ZINC001120555258 779641801 /nfs/dbraw/zinc/64/18/01/779641801.db2.gz PDBQFYRJXPVZBW-SSDOTTSWSA-N 1 2 295.347 -1.010 20 0 CAADLO COCC(=O)NC[C@H](CO)Nc1[nH+]cnc2c1cnn2C ZINC001120991698 779645719 /nfs/dbraw/zinc/64/57/19/779645719.db2.gz GDZCVJVKBGTPNS-MRVPVSSYSA-N 1 2 294.315 -1.101 20 0 CAADLO COCC(=O)NC[C@@H](CO)Nc1nc(N(C)C)nc(C)[nH+]1 ZINC001120991385 779645956 /nfs/dbraw/zinc/64/59/56/779645956.db2.gz AFPMTPDNWJTGJE-VIFPVBQESA-N 1 2 298.347 -1.219 20 0 CAADLO CNC(=O)CC(=O)NC[C@H](CO)Nc1cc[nH+]c(C)n1 ZINC001121372063 779649781 /nfs/dbraw/zinc/64/97/81/779649781.db2.gz UCYAJVJQXNPDMU-SECBINFHSA-N 1 2 281.316 -1.190 20 0 CAADLO Cc1nc(N[C@H](CO)CNC(=O)[C@@H]2COC(=O)N2)cc[nH+]1 ZINC001121385179 779649840 /nfs/dbraw/zinc/64/98/40/779649840.db2.gz HXWICCZTDNOCEC-IUCAKERBSA-N 1 2 295.299 -1.218 20 0 CAADLO Cc1nc(N[C@@H](CO)CNC(=O)Cn2cncn2)cc[nH+]1 ZINC001121535798 779650417 /nfs/dbraw/zinc/65/04/17/779650417.db2.gz IPWBVDWPPPFVIZ-SNVBAGLBSA-N 1 2 291.315 -1.034 20 0 CAADLO Cc1nc(N[C@H](CO)CNC(=O)Cn2cncn2)cc[nH+]1 ZINC001121535797 779650497 /nfs/dbraw/zinc/65/04/97/779650497.db2.gz IPWBVDWPPPFVIZ-JTQLQIEISA-N 1 2 291.315 -1.034 20 0 CAADLO CNC(=O)[C@@H]1CN(C(=O)C[C@H]([NH3+])C(F)F)CCO1 ZINC001122049122 779655238 /nfs/dbraw/zinc/65/52/38/779655238.db2.gz FEEHUUCNGIPBNI-BQBZGAKWSA-N 1 2 265.260 -1.058 20 0 CAADLO CNC(=O)[C@@H]1CN(C(=O)C[C@@H]([NH3+])C(F)F)CCO1 ZINC001122049125 779656765 /nfs/dbraw/zinc/65/67/65/779656765.db2.gz FEEHUUCNGIPBNI-RQJHMYQMSA-N 1 2 265.260 -1.058 20 0 CAADLO COCC(=O)NCC[NH2+]Cc1cc(=O)n2[nH]ccc2n1 ZINC001122323694 779664449 /nfs/dbraw/zinc/66/44/49/779664449.db2.gz SFHYHQLPNDBBFA-UHFFFAOYSA-N 1 2 279.300 -1.125 20 0 CAADLO Cc1nc(N[C@H](CO)CNC(=O)C2(C(N)=O)CC2)cc[nH+]1 ZINC001122451016 779668669 /nfs/dbraw/zinc/66/86/69/779668669.db2.gz CZMJEBRLKUNUPI-VIFPVBQESA-N 1 2 293.327 -1.060 20 0 CAADLO Cn1ncc2c1nc[nH+]c2N[C@@H](CO)CNC(=O)C(N)=O ZINC001122451408 779668712 /nfs/dbraw/zinc/66/87/12/779668712.db2.gz IMSQUWTVMQOQPQ-ZCFIWIBFSA-N 1 2 293.287 -2.262 20 0 CAADLO Cc1nc(N[C@H](CO)CNC(=O)[C@H]2CNC(=O)N2)cc[nH+]1 ZINC001122438964 779669015 /nfs/dbraw/zinc/66/90/15/779669015.db2.gz ZLJREFVPXBNYKR-DTWKUNHWSA-N 1 2 294.315 -1.645 20 0 CAADLO Cc1nc(N[C@@H](CO)CNC(=O)[C@@H]2CNC(=O)N2)cc[nH+]1 ZINC001122438963 779669193 /nfs/dbraw/zinc/66/91/93/779669193.db2.gz ZLJREFVPXBNYKR-BDAKNGLRSA-N 1 2 294.315 -1.645 20 0 CAADLO CC(=O)NCC(=O)NCC[NH2+]Cc1nc(C)no1 ZINC001122667952 779673544 /nfs/dbraw/zinc/67/35/44/779673544.db2.gz OURZLEZYUNQAAP-UHFFFAOYSA-N 1 2 255.278 -1.280 20 0 CAADLO CC(=O)NCC(=O)NCC[NH2+]Cc1ncccn1 ZINC001122667590 779673657 /nfs/dbraw/zinc/67/36/57/779673657.db2.gz HWOZMQWFTIHYMZ-UHFFFAOYSA-N 1 2 251.290 -1.182 20 0 CAADLO CNC(=O)NCC(=O)NC[C@@H](CO)Nc1cc[nH+]c(C)n1 ZINC001122785107 779675518 /nfs/dbraw/zinc/67/55/18/779675518.db2.gz WLPCZPKEIJNETR-VIFPVBQESA-N 1 2 296.331 -1.397 20 0 CAADLO CCOCC(=O)NCC[NH2+]Cc1nc(CC(=O)NC)no1 ZINC001122979491 779676697 /nfs/dbraw/zinc/67/66/97/779676697.db2.gz WNFRQRRSEQDAIX-UHFFFAOYSA-N 1 2 299.331 -1.400 20 0 CAADLO Cn1[nH]c(C[NH2+]CCNC(=O)[C@@H]2CCCO2)nc1=O ZINC001123144930 779680408 /nfs/dbraw/zinc/68/04/08/779680408.db2.gz WXIKVPYKEUCDKR-QMMMGPOBSA-N 1 2 269.305 -1.507 20 0 CAADLO Cn1[nH]c(C[NH2+]CCNC(=O)[C@H]2CCCO2)nc1=O ZINC001123144928 779680598 /nfs/dbraw/zinc/68/05/98/779680598.db2.gz WXIKVPYKEUCDKR-MRVPVSSYSA-N 1 2 269.305 -1.507 20 0 CAADLO CCCc1noc(C[NH2+]CCNC(=O)CNC(N)=O)n1 ZINC001123235457 779681747 /nfs/dbraw/zinc/68/17/47/779681747.db2.gz MUYQLXRDKXEWNS-UHFFFAOYSA-N 1 2 284.320 -1.104 20 0 CAADLO NC(=O)NCC(=O)NCC[NH2+]Cc1cnsn1 ZINC001123235360 779682230 /nfs/dbraw/zinc/68/22/30/779682230.db2.gz LBRFJNKZPWCXDH-UHFFFAOYSA-N 1 2 258.307 -1.588 20 0 CAADLO NC(=O)NCC(=O)NCC[NH2+]Cc1nncs1 ZINC001123241266 779682399 /nfs/dbraw/zinc/68/23/99/779682399.db2.gz BITRVYFNUMBGSH-UHFFFAOYSA-N 1 2 258.307 -1.588 20 0 CAADLO Cn1cc(Cl)c(C[NH2+]CCNC(=O)CNC(N)=O)n1 ZINC001123241301 779682909 /nfs/dbraw/zinc/68/29/09/779682909.db2.gz CTOLYJMMEUZKID-UHFFFAOYSA-N 1 2 288.739 -1.052 20 0 CAADLO NC(=O)NCC(=O)NCC[NH2+]Cc1csnn1 ZINC001123258543 779684695 /nfs/dbraw/zinc/68/46/95/779684695.db2.gz RTJZUYWGTGTPCI-UHFFFAOYSA-N 1 2 258.307 -1.588 20 0 CAADLO CN(C)c1noc(C[NH2+]CCNC(=O)CNC(N)=O)n1 ZINC001123258423 779684822 /nfs/dbraw/zinc/68/48/22/779684822.db2.gz PKMINSGLTWVWMZ-UHFFFAOYSA-N 1 2 285.308 -1.990 20 0 CAADLO Cc1ccnc(C[NH2+]CCNC(=O)CNC(N)=O)n1 ZINC001123257508 779685120 /nfs/dbraw/zinc/68/51/20/779685120.db2.gz IZPICWUHFUQYQT-UHFFFAOYSA-N 1 2 266.305 -1.341 20 0 CAADLO Cc1ccnc(C[NH2+]CCNC(=O)Cn2cnnn2)n1 ZINC001123306012 779685839 /nfs/dbraw/zinc/68/58/39/779685839.db2.gz SXNDYYUCOZEGET-UHFFFAOYSA-N 1 2 276.304 -1.322 20 0 CAADLO O=C(Cn1cnnn1)NCC[NH2+]Cc1nncs1 ZINC001123326839 779686762 /nfs/dbraw/zinc/68/67/62/779686762.db2.gz IYUQSRHLNFIEDQ-UHFFFAOYSA-N 1 2 268.306 -1.569 20 0 CAADLO Cc1nnc([C@H](C)[NH2+]CCNC(=O)Cn2cnnn2)o1 ZINC001123327482 779687402 /nfs/dbraw/zinc/68/74/02/779687402.db2.gz RMKOPOIOUNBUAX-ZETCQYMHSA-N 1 2 280.292 -1.168 20 0 CAADLO Cn1[nH]c(C[NH2+]CCNC(=O)c2ccc[nH]2)nc1=O ZINC001123445683 779689001 /nfs/dbraw/zinc/68/90/01/779689001.db2.gz ZHYXYNWTHTXIQQ-UHFFFAOYSA-N 1 2 264.289 -1.044 20 0 CAADLO Cn1cc(C(=O)NCC[NH2+]Cc2nc(=O)n(C)[nH]2)cn1 ZINC001123348375 779689201 /nfs/dbraw/zinc/68/92/01/779689201.db2.gz XJSUYIPRSIQBRE-UHFFFAOYSA-N 1 2 279.304 -1.639 20 0 CAADLO C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)NCC[S@@](C)=O ZINC001123559891 779690270 /nfs/dbraw/zinc/69/02/70/779690270.db2.gz UESBXKGYVHNTMH-GPHJXTMHSA-N 1 2 259.375 -1.131 20 0 CAADLO C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)NCC[S@@](C)=O ZINC001123559891 779690272 /nfs/dbraw/zinc/69/02/72/779690272.db2.gz UESBXKGYVHNTMH-GPHJXTMHSA-N 1 2 259.375 -1.131 20 0 CAADLO C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)NCC[S@](C)=O ZINC001123559892 779690426 /nfs/dbraw/zinc/69/04/26/779690426.db2.gz UESBXKGYVHNTMH-KEYDSSBGSA-N 1 2 259.375 -1.131 20 0 CAADLO C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)NCC[S@](C)=O ZINC001123559892 779690429 /nfs/dbraw/zinc/69/04/29/779690429.db2.gz UESBXKGYVHNTMH-KEYDSSBGSA-N 1 2 259.375 -1.131 20 0 CAADLO C[C@H]1COCC[N@@H+]1CCNC(=O)CN1C(=O)CCC1=O ZINC001123520622 779691105 /nfs/dbraw/zinc/69/11/05/779691105.db2.gz CQSOTADIZGAXSW-JTQLQIEISA-N 1 2 283.328 -1.028 20 0 CAADLO C[C@H]1COCC[N@H+]1CCNC(=O)CN1C(=O)CCC1=O ZINC001123520622 779691108 /nfs/dbraw/zinc/69/11/08/779691108.db2.gz CQSOTADIZGAXSW-JTQLQIEISA-N 1 2 283.328 -1.028 20 0 CAADLO Cc1c(C(=O)NCC[NH2+]Cc2nc(=O)n(C)[nH]2)cnn1C ZINC001123592143 779691176 /nfs/dbraw/zinc/69/11/76/779691176.db2.gz LAUCVFYVQPAEIV-UHFFFAOYSA-N 1 2 293.331 -1.330 20 0 CAADLO CCOCC(=O)NC[C@@H]1C[N@H+](CC(N)=O)CCCO1 ZINC001149098977 779691202 /nfs/dbraw/zinc/69/12/02/779691202.db2.gz OSKVOSDBKZMRDZ-SNVBAGLBSA-N 1 2 273.333 -1.285 20 0 CAADLO CCOCC(=O)NC[C@@H]1C[N@@H+](CC(N)=O)CCCO1 ZINC001149098977 779691203 /nfs/dbraw/zinc/69/12/03/779691203.db2.gz OSKVOSDBKZMRDZ-SNVBAGLBSA-N 1 2 273.333 -1.285 20 0 CAADLO Cn1[nH]c(C[NH2+]CCNC(=O)CCn2cccn2)nc1=O ZINC001123712518 779692314 /nfs/dbraw/zinc/69/23/14/779692314.db2.gz NENHZBUEBFQVAN-UHFFFAOYSA-N 1 2 293.331 -1.399 20 0 CAADLO CN(C)c1noc(C[NH2+]CCNC(=O)[C@@H]2COCCO2)n1 ZINC001123869445 779695133 /nfs/dbraw/zinc/69/51/33/779695133.db2.gz IFWCJNBVBWLXMG-VIFPVBQESA-N 1 2 299.331 -1.243 20 0 CAADLO Cc1noc(C[NH2+]CCNC(=O)[C@H]2COCCO2)n1 ZINC001123868991 779695810 /nfs/dbraw/zinc/69/58/10/779695810.db2.gz FOBAUPNOQDHPGR-SECBINFHSA-N 1 2 270.289 -1.001 20 0 CAADLO O=C(NCC[NH2+]Cc1cnon1)[C@H]1COCCO1 ZINC001123876359 779696524 /nfs/dbraw/zinc/69/65/24/779696524.db2.gz GJCRHVXAMYOGKG-SECBINFHSA-N 1 2 256.262 -1.309 20 0 CAADLO Cn1[nH]c(C[NH2+]CCNC(=O)c2ccn[nH]2)nc1=O ZINC001123891741 779698670 /nfs/dbraw/zinc/69/86/70/779698670.db2.gz SOBXLTKQTXIBIJ-UHFFFAOYSA-N 1 2 265.277 -1.649 20 0 CAADLO CCO[C@H]1C[C@H]1C(=O)NCC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001124142184 779704428 /nfs/dbraw/zinc/70/44/28/779704428.db2.gz ZTGZPWDPIZHQOK-BDAKNGLRSA-N 1 2 283.332 -1.261 20 0 CAADLO Cn1[nH]c(C[NH2+]CCNC(=O)c2cnsn2)nc1=O ZINC001124155128 779705075 /nfs/dbraw/zinc/70/50/75/779705075.db2.gz VMMWDSFPBHTMRA-UHFFFAOYSA-N 1 2 283.317 -1.521 20 0 CAADLO CO[C@H](C)C(=O)NCC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001124273992 779709068 /nfs/dbraw/zinc/70/90/68/779709068.db2.gz UZSIMTHEWAUAOE-SSDOTTSWSA-N 1 2 257.294 -1.651 20 0 CAADLO Cc1cnn(CC(=O)NCC[NH2+]Cc2nc(=O)n(C)[nH]2)c1 ZINC001124281960 779709516 /nfs/dbraw/zinc/70/95/16/779709516.db2.gz OFGAEBRPNORYKE-UHFFFAOYSA-N 1 2 293.331 -1.481 20 0 CAADLO Cc1ocnc1C(=O)NCC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001124375890 779710249 /nfs/dbraw/zinc/71/02/49/779710249.db2.gz PUUHBVLOCMVCRZ-UHFFFAOYSA-N 1 2 280.288 -1.076 20 0 CAADLO C[C@@H]([NH2+]CCNC(=O)CS(C)(=O)=O)c1nnnn1C ZINC001124362817 779710967 /nfs/dbraw/zinc/71/09/67/779710967.db2.gz QQWRMGXTSBFUQR-SSDOTTSWSA-N 1 2 290.349 -1.979 20 0 CAADLO CS(=O)(=O)CC(=O)NCC[NH2+]Cc1ccon1 ZINC001124363011 779711042 /nfs/dbraw/zinc/71/10/42/779711042.db2.gz UNXIMEULAPKVNH-UHFFFAOYSA-N 1 2 261.303 -1.075 20 0 CAADLO Cc1nonc1C[NH2+]CCNC(=O)[C@H]1CCC(=O)N1 ZINC001124804456 779717693 /nfs/dbraw/zinc/71/76/93/779717693.db2.gz ADVWBVSZAWFION-MRVPVSSYSA-N 1 2 267.289 -1.138 20 0 CAADLO Cc1cc(CC(=O)NCC[NH2+]Cc2nc(=O)n(C)[nH]2)no1 ZINC001124999056 779721186 /nfs/dbraw/zinc/72/11/86/779721186.db2.gz CUKCZDRHHGIYFE-UHFFFAOYSA-N 1 2 294.315 -1.147 20 0 CAADLO CCn1cc(C(=O)NCC[NH2+]Cc2nc(=O)n(C)[nH]2)cn1 ZINC001125011009 779721256 /nfs/dbraw/zinc/72/12/56/779721256.db2.gz MMGPRZVAWWYYLQ-UHFFFAOYSA-N 1 2 293.331 -1.156 20 0 CAADLO NC(=O)C[N@@H+]1CCCO[C@H](CNC(=O)Cn2cccn2)C1 ZINC001149159381 779732355 /nfs/dbraw/zinc/73/23/55/779732355.db2.gz GYQSDRYLOMKUOO-LLVKDONJSA-N 1 2 295.343 -1.425 20 0 CAADLO NC(=O)C[N@H+]1CCCO[C@H](CNC(=O)Cn2cccn2)C1 ZINC001149159381 779732360 /nfs/dbraw/zinc/73/23/60/779732360.db2.gz GYQSDRYLOMKUOO-LLVKDONJSA-N 1 2 295.343 -1.425 20 0 CAADLO CN(C)C(=O)CN1C(=O)C[C@H]2[C@@H]1CC[N@@H+]2CC(=O)N(C)C ZINC001203013616 779738508 /nfs/dbraw/zinc/73/85/08/779738508.db2.gz BRESAHNOLOWGQI-QWRGUYRKSA-N 1 2 296.371 -1.162 20 0 CAADLO CN(C)C(=O)CN1C(=O)C[C@H]2[C@@H]1CC[N@H+]2CC(=O)N(C)C ZINC001203013616 779738509 /nfs/dbraw/zinc/73/85/09/779738509.db2.gz BRESAHNOLOWGQI-QWRGUYRKSA-N 1 2 296.371 -1.162 20 0 CAADLO Cn1c[nH+]cc1CC(=O)N1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC001141208695 779740993 /nfs/dbraw/zinc/74/09/93/779740993.db2.gz QOOWUIKSGCFBRR-DTORHVGOSA-N 1 2 262.269 -1.306 20 0 CAADLO Nc1nnn(CC(=O)N2CC[NH+](CCO)CC2)n1 ZINC001141477896 779743275 /nfs/dbraw/zinc/74/32/75/779743275.db2.gz DCJXRCQUXGVIDZ-UHFFFAOYSA-N 1 2 255.282 -2.608 20 0 CAADLO C[N@@H+]1C[C@@H](O)C[C@@]1(C)C(=O)Nc1nnc2[nH]cnn12 ZINC001141672291 779743889 /nfs/dbraw/zinc/74/38/89/779743889.db2.gz DZYMXDOVLFHOOV-WKEGUHRASA-N 1 2 265.277 -1.154 20 0 CAADLO C[N@H+]1C[C@@H](O)C[C@@]1(C)C(=O)Nc1nnc2[nH]cnn12 ZINC001141672291 779743895 /nfs/dbraw/zinc/74/38/95/779743895.db2.gz DZYMXDOVLFHOOV-WKEGUHRASA-N 1 2 265.277 -1.154 20 0 CAADLO C[N@@H+]1CCO[C@H](CNC(=O)Cn2cccnc2=O)C1 ZINC001141954285 779745835 /nfs/dbraw/zinc/74/58/35/779745835.db2.gz NENSXWZERMWREO-SNVBAGLBSA-N 1 2 266.301 -1.310 20 0 CAADLO C[N@H+]1CCO[C@H](CNC(=O)Cn2cccnc2=O)C1 ZINC001141954285 779745842 /nfs/dbraw/zinc/74/58/42/779745842.db2.gz NENSXWZERMWREO-SNVBAGLBSA-N 1 2 266.301 -1.310 20 0 CAADLO COC(=O)[C@H](Cc1c[nH+]cn1C)NC(=O)Cn1cncn1 ZINC001142133222 779751849 /nfs/dbraw/zinc/75/18/49/779751849.db2.gz MZQQVYZFKLGPKK-JTQLQIEISA-N 1 2 292.299 -1.088 20 0 CAADLO O=C(Cn1cncn1)N[C@@H](CO)Cc1c[nH]c[nH+]1 ZINC001142132595 779752688 /nfs/dbraw/zinc/75/26/88/779752688.db2.gz DEDMOANMYOKEBH-SECBINFHSA-N 1 2 250.262 -1.279 20 0 CAADLO O=C(Cn1cncn1)N[C@@H](CO)Cc1c[nH+]c[nH]1 ZINC001142132595 779752691 /nfs/dbraw/zinc/75/26/91/779752691.db2.gz DEDMOANMYOKEBH-SECBINFHSA-N 1 2 250.262 -1.279 20 0 CAADLO COCCn1c[nH+]cc1CNC(=O)Cn1cnnn1 ZINC001142140617 779753329 /nfs/dbraw/zinc/75/33/29/779753329.db2.gz PANOAXUFAKDCIC-UHFFFAOYSA-N 1 2 265.277 -1.168 20 0 CAADLO COC(=O)[C@@H](Cc1c[nH+]cn1C)NC(=O)Cn1cnnn1 ZINC001142141245 779754276 /nfs/dbraw/zinc/75/42/76/779754276.db2.gz ZFKHKKVZKXBONK-SECBINFHSA-N 1 2 293.287 -1.693 20 0 CAADLO COC(=O)[C@H](Cc1c[nH+]cn1C)NC(=O)Cn1nccn1 ZINC001142195041 779755379 /nfs/dbraw/zinc/75/53/79/779755379.db2.gz TVYKOLCTTBYFNN-JTQLQIEISA-N 1 2 292.299 -1.088 20 0 CAADLO COC(=O)[C@@H](Cc1c[nH+]cn1C)NC(=O)Cn1nccn1 ZINC001142195043 779755953 /nfs/dbraw/zinc/75/59/53/779755953.db2.gz TVYKOLCTTBYFNN-SNVBAGLBSA-N 1 2 292.299 -1.088 20 0 CAADLO Cc1cn(CC(=O)NC[C@H]2C[N@H+](C)CCO2)c(=O)[nH]c1=O ZINC001142319313 779756764 /nfs/dbraw/zinc/75/67/64/779756764.db2.gz NZIWDEQWAOFANX-JTQLQIEISA-N 1 2 296.327 -1.296 20 0 CAADLO Cc1cn(CC(=O)NC[C@H]2C[N@@H+](C)CCO2)c(=O)[nH]c1=O ZINC001142319313 779756766 /nfs/dbraw/zinc/75/67/66/779756766.db2.gz NZIWDEQWAOFANX-JTQLQIEISA-N 1 2 296.327 -1.296 20 0 CAADLO [NH3+][C@@H]1NCN(C(=O)C(=O)c2ccccc2)[C@@H]2NCN[C@H]21 ZINC001142694491 779759992 /nfs/dbraw/zinc/75/99/92/779759992.db2.gz WGUMQQMPQQPLOR-WCQGTBRESA-N 1 2 275.312 -1.612 20 0 CAADLO COC(=O)[C@H]1C[N@H+](C)CCN1C(=O)CNC(C)=O ZINC001142805032 779761353 /nfs/dbraw/zinc/76/13/53/779761353.db2.gz ZJTALNUOMINDQR-SECBINFHSA-N 1 2 257.290 -1.562 20 0 CAADLO COC(=O)[C@H]1C[N@@H+](C)CCN1C(=O)CNC(C)=O ZINC001142805032 779761359 /nfs/dbraw/zinc/76/13/59/779761359.db2.gz ZJTALNUOMINDQR-SECBINFHSA-N 1 2 257.290 -1.562 20 0 CAADLO CC(=O)N1C[C@H](O)C[C@H]1C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC001143036471 779765901 /nfs/dbraw/zinc/76/59/01/779765901.db2.gz LXICFEBVQUZPPY-UTUOFQBUSA-N 1 2 285.344 -1.585 20 0 CAADLO CC(=O)N1C[C@H](O)C[C@H]1C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC001143036471 779765908 /nfs/dbraw/zinc/76/59/08/779765908.db2.gz LXICFEBVQUZPPY-UTUOFQBUSA-N 1 2 285.344 -1.585 20 0 CAADLO O=C(N[C@@H](CO)Cc1c[nH]c[nH+]1)[C@@H]1CCC(=O)N1 ZINC001143128256 779767822 /nfs/dbraw/zinc/76/78/22/779767822.db2.gz OMGPSKZOHQSGKB-BDAKNGLRSA-N 1 2 252.274 -1.292 20 0 CAADLO O=C(N[C@@H](CO)Cc1c[nH+]c[nH]1)[C@@H]1CCC(=O)N1 ZINC001143128256 779767826 /nfs/dbraw/zinc/76/78/26/779767826.db2.gz OMGPSKZOHQSGKB-BDAKNGLRSA-N 1 2 252.274 -1.292 20 0 CAADLO O=C(N[C@@H](CO)Cc1c[nH]c[nH+]1)[C@H]1CCC(=O)N1 ZINC001143128259 779767898 /nfs/dbraw/zinc/76/78/98/779767898.db2.gz OMGPSKZOHQSGKB-RKDXNWHRSA-N 1 2 252.274 -1.292 20 0 CAADLO O=C(N[C@@H](CO)Cc1c[nH+]c[nH]1)[C@H]1CCC(=O)N1 ZINC001143128259 779767904 /nfs/dbraw/zinc/76/79/04/779767904.db2.gz OMGPSKZOHQSGKB-RKDXNWHRSA-N 1 2 252.274 -1.292 20 0 CAADLO COC(=O)[C@H]1C[N@H+](C)CCN1C(=O)C1(C(N)=O)CC1 ZINC001143159383 779768235 /nfs/dbraw/zinc/76/82/35/779768235.db2.gz STIMFFUPILAOSS-MRVPVSSYSA-N 1 2 269.301 -1.433 20 0 CAADLO COC(=O)[C@H]1C[N@@H+](C)CCN1C(=O)C1(C(N)=O)CC1 ZINC001143159383 779768242 /nfs/dbraw/zinc/76/82/42/779768242.db2.gz STIMFFUPILAOSS-MRVPVSSYSA-N 1 2 269.301 -1.433 20 0 CAADLO COC(=O)[C@H](Cc1c[nH+]cn1C)NC(=O)C(=O)N(C)C ZINC001143283536 779770922 /nfs/dbraw/zinc/77/09/22/779770922.db2.gz DNSLJVCJBPJHHD-VIFPVBQESA-N 1 2 282.300 -1.291 20 0 CAADLO COC(=O)[C@H]1C[N@H+](C)CCN1C(=O)CN1CCCC1=O ZINC001143243706 779771088 /nfs/dbraw/zinc/77/10/88/779771088.db2.gz XICVJVCJCOQZPR-SNVBAGLBSA-N 1 2 283.328 -1.076 20 0 CAADLO COC(=O)[C@H]1C[N@@H+](C)CCN1C(=O)CN1CCCC1=O ZINC001143243706 779771090 /nfs/dbraw/zinc/77/10/90/779771090.db2.gz XICVJVCJCOQZPR-SNVBAGLBSA-N 1 2 283.328 -1.076 20 0 CAADLO COC(=O)[C@@H]1C[N@H+](C)CCN1C(=O)CN1CCCC1=O ZINC001143243705 779771117 /nfs/dbraw/zinc/77/11/17/779771117.db2.gz XICVJVCJCOQZPR-JTQLQIEISA-N 1 2 283.328 -1.076 20 0 CAADLO COC(=O)[C@@H]1C[N@@H+](C)CCN1C(=O)CN1CCCC1=O ZINC001143243705 779771119 /nfs/dbraw/zinc/77/11/19/779771119.db2.gz XICVJVCJCOQZPR-JTQLQIEISA-N 1 2 283.328 -1.076 20 0 CAADLO CNC(=O)C[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H](C)OC)C1 ZINC001149292683 779774595 /nfs/dbraw/zinc/77/45/95/779774595.db2.gz LCCPBEFXPRXDCB-MNOVXSKESA-N 1 2 287.360 -1.026 20 0 CAADLO CNC(=O)C[N@H+]1CCCO[C@@H](CNC(=O)[C@@H](C)OC)C1 ZINC001149292683 779774598 /nfs/dbraw/zinc/77/45/98/779774598.db2.gz LCCPBEFXPRXDCB-MNOVXSKESA-N 1 2 287.360 -1.026 20 0 CAADLO CNC(=O)C[N@@H+]1CCCO[C@@H](CNC(=O)[C@H](C)OC)C1 ZINC001149292684 779774614 /nfs/dbraw/zinc/77/46/14/779774614.db2.gz LCCPBEFXPRXDCB-QWRGUYRKSA-N 1 2 287.360 -1.026 20 0 CAADLO CNC(=O)C[N@H+]1CCCO[C@@H](CNC(=O)[C@H](C)OC)C1 ZINC001149292684 779774621 /nfs/dbraw/zinc/77/46/21/779774621.db2.gz LCCPBEFXPRXDCB-QWRGUYRKSA-N 1 2 287.360 -1.026 20 0 CAADLO CNC(=O)C[N@@H+]1CCCO[C@H](CNC(=O)[C@@H](C)OC)C1 ZINC001149292682 779774853 /nfs/dbraw/zinc/77/48/53/779774853.db2.gz LCCPBEFXPRXDCB-GHMZBOCLSA-N 1 2 287.360 -1.026 20 0 CAADLO CNC(=O)C[N@H+]1CCCO[C@H](CNC(=O)[C@@H](C)OC)C1 ZINC001149292682 779774856 /nfs/dbraw/zinc/77/48/56/779774856.db2.gz LCCPBEFXPRXDCB-GHMZBOCLSA-N 1 2 287.360 -1.026 20 0 CAADLO CO[C@H](C)C(=O)NC[C@@H]1C[N@H+](CC(N)=O)CCCO1 ZINC001149295021 779775045 /nfs/dbraw/zinc/77/50/45/779775045.db2.gz YFLJAUAVMQQTPS-NXEZZACHSA-N 1 2 273.333 -1.286 20 0 CAADLO CO[C@H](C)C(=O)NC[C@@H]1C[N@@H+](CC(N)=O)CCCO1 ZINC001149295021 779775047 /nfs/dbraw/zinc/77/50/47/779775047.db2.gz YFLJAUAVMQQTPS-NXEZZACHSA-N 1 2 273.333 -1.286 20 0 CAADLO Cn1c[nH+]cc1[C@H](CO)NC(=O)Cn1cnc(N)n1 ZINC001149214127 779775066 /nfs/dbraw/zinc/77/50/66/779775066.db2.gz WIUFHLAUTYRXKW-ZETCQYMHSA-N 1 2 265.277 -1.556 20 0 CAADLO CS(=O)(=O)CC(=O)NC[C@H]1C[N@H+](CCO)CCCO1 ZINC001149376099 779776818 /nfs/dbraw/zinc/77/68/18/779776818.db2.gz VIDVCXJSJMYOFF-JTQLQIEISA-N 1 2 294.373 -1.770 20 0 CAADLO CS(=O)(=O)CC(=O)NC[C@H]1C[N@@H+](CCO)CCCO1 ZINC001149376099 779776824 /nfs/dbraw/zinc/77/68/24/779776824.db2.gz VIDVCXJSJMYOFF-JTQLQIEISA-N 1 2 294.373 -1.770 20 0 CAADLO Cn1c[nH+]cc1CCC(=O)NCCNCc1nnn(C)n1 ZINC001149559301 779779838 /nfs/dbraw/zinc/77/98/38/779779838.db2.gz PTMNLPNIZJYWNP-UHFFFAOYSA-N 1 2 292.347 -1.218 20 0 CAADLO CC(C)[C@@H](O)C(=O)NC[C@@H]1C[N@H+](CC(N)=O)CCCO1 ZINC001149667015 779781084 /nfs/dbraw/zinc/78/10/84/779781084.db2.gz RQSCMHYPENZIEB-ZYHUDNBSSA-N 1 2 287.360 -1.304 20 0 CAADLO CC(C)[C@@H](O)C(=O)NC[C@@H]1C[N@@H+](CC(N)=O)CCCO1 ZINC001149667015 779781092 /nfs/dbraw/zinc/78/10/92/779781092.db2.gz RQSCMHYPENZIEB-ZYHUDNBSSA-N 1 2 287.360 -1.304 20 0 CAADLO CC(C)[C@@H](O)C(=O)NC[C@H]1C[N@H+](CC(N)=O)CCCO1 ZINC001149667014 779781758 /nfs/dbraw/zinc/78/17/58/779781758.db2.gz RQSCMHYPENZIEB-CMPLNLGQSA-N 1 2 287.360 -1.304 20 0 CAADLO CC(C)[C@@H](O)C(=O)NC[C@H]1C[N@@H+](CC(N)=O)CCCO1 ZINC001149667014 779781761 /nfs/dbraw/zinc/78/17/61/779781761.db2.gz RQSCMHYPENZIEB-CMPLNLGQSA-N 1 2 287.360 -1.304 20 0 CAADLO Cn1[nH]c(C[NH2+]CCNC(=O)c2ccc(=O)[nH]c2)nc1=O ZINC001149747350 779782517 /nfs/dbraw/zinc/78/25/17/779782517.db2.gz JCRHMFMZDWPMPI-UHFFFAOYSA-N 1 2 292.299 -1.271 20 0 CAADLO NC(=O)C[N@@H+]1CCCO[C@@H](CNC(=O)CC2(O)CCC2)C1 ZINC001149708775 779782719 /nfs/dbraw/zinc/78/27/19/779782719.db2.gz SNWCJNHMNUYYHM-NSHDSACASA-N 1 2 299.371 -1.016 20 0 CAADLO NC(=O)C[N@H+]1CCCO[C@@H](CNC(=O)CC2(O)CCC2)C1 ZINC001149708775 779782725 /nfs/dbraw/zinc/78/27/25/779782725.db2.gz SNWCJNHMNUYYHM-NSHDSACASA-N 1 2 299.371 -1.016 20 0 CAADLO Cc1noc(C[NH2+]CCNC(=O)c2ccc(=O)n(C)n2)n1 ZINC001150142291 779786902 /nfs/dbraw/zinc/78/69/02/779786902.db2.gz QBVVNFGAUPCBAO-UHFFFAOYSA-N 1 2 292.299 -1.009 20 0 CAADLO Cc1nnc(C[NH2+]CCNC(=O)c2ccc(=O)n(C)n2)o1 ZINC001150149684 779787507 /nfs/dbraw/zinc/78/75/07/779787507.db2.gz CXMUTDMPKJSQJY-UHFFFAOYSA-N 1 2 292.299 -1.009 20 0 CAADLO O=C(Cn1cncn1)NCC[NH2+]Cc1cnon1 ZINC001150244176 779788553 /nfs/dbraw/zinc/78/85/53/779788553.db2.gz XFIXCJHWGZLURS-UHFFFAOYSA-N 1 2 251.250 -1.433 20 0 CAADLO Cc1nnc(C[NH2+]CCNC(=O)Cn2cncn2)o1 ZINC001150260112 779790077 /nfs/dbraw/zinc/79/00/77/779790077.db2.gz CXJHLRDCMHNLTE-UHFFFAOYSA-N 1 2 265.277 -1.124 20 0 CAADLO NC(=O)C[N@@H+]1CCCO[C@H](CNC(=O)C2(C(N)=O)CC2)C1 ZINC001150255310 779790606 /nfs/dbraw/zinc/79/06/06/779790606.db2.gz YLVSUSFEFNOZAW-SECBINFHSA-N 1 2 298.343 -2.056 20 0 CAADLO NC(=O)C[N@H+]1CCCO[C@H](CNC(=O)C2(C(N)=O)CC2)C1 ZINC001150255310 779790613 /nfs/dbraw/zinc/79/06/13/779790613.db2.gz YLVSUSFEFNOZAW-SECBINFHSA-N 1 2 298.343 -2.056 20 0 CAADLO Cc1noc(C[NH2+]CCNC(=O)CN2C(=O)CNC2=O)n1 ZINC001150344889 779791251 /nfs/dbraw/zinc/79/12/51/779791251.db2.gz MKIMSTGSNAQNBX-UHFFFAOYSA-N 1 2 296.287 -1.864 20 0 CAADLO O=C(CN1C(=O)CNC1=O)NCC[NH2+]Cc1nncs1 ZINC001150340040 779791450 /nfs/dbraw/zinc/79/14/50/779791450.db2.gz UYOKOZLYGLLKQO-UHFFFAOYSA-N 1 2 298.328 -1.704 20 0 CAADLO O=C(CN1C(=O)CCC1=O)NCC[NH2+]Cc1cnon1 ZINC001150467571 779795697 /nfs/dbraw/zinc/79/56/97/779795697.db2.gz SFIHTJKHURCTEX-UHFFFAOYSA-N 1 2 281.272 -1.576 20 0 CAADLO Cc1noc(C[NH2+]CCNC(=O)CN2C(=O)CCC2=O)n1 ZINC001150473487 779795883 /nfs/dbraw/zinc/79/58/83/779795883.db2.gz SQDPHBWAXPLVFW-UHFFFAOYSA-N 1 2 295.299 -1.267 20 0 CAADLO O=C(CN1C(=O)CCC1=O)NCC[NH2+]Cc1nncs1 ZINC001150466790 779796416 /nfs/dbraw/zinc/79/64/16/779796416.db2.gz MPCFURLTRUNLPC-UHFFFAOYSA-N 1 2 297.340 -1.107 20 0 CAADLO O=C(C[C@@H]1CC(=O)NC1=O)N1CC[NH2+][C@@H](c2cn[nH]c2)C1 ZINC001150607104 779796812 /nfs/dbraw/zinc/79/68/12/779796812.db2.gz JONWZSZRXBAEDU-WCBMZHEXSA-N 1 2 291.311 -1.065 20 0 CAADLO O=C(C[C@@H]1CC(=O)NC1=O)N1CC[NH2+][C@H](c2cn[nH]c2)C1 ZINC001150607105 779796868 /nfs/dbraw/zinc/79/68/68/779796868.db2.gz JONWZSZRXBAEDU-WPRPVWTQSA-N 1 2 291.311 -1.065 20 0 CAADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)CC[C@H]1NC(=O)NC1=O ZINC000046889047 779797139 /nfs/dbraw/zinc/79/71/39/779797139.db2.gz CBVAGYMLZLXZPE-VHSXEESVSA-N 1 2 298.343 -1.189 20 0 CAADLO CN(CCCn1cc[nH+]c1)C(=O)[C@H](CO)NC(N)=O ZINC001150511432 779797449 /nfs/dbraw/zinc/79/74/49/779797449.db2.gz UZZDREHOEWEJAT-VIFPVBQESA-N 1 2 269.305 -1.239 20 0 CAADLO Cn1cc(C(=O)NCC[NH2+]Cc2cnon2)c(=O)[nH]c1=O ZINC001150984315 779800444 /nfs/dbraw/zinc/80/04/44/779800444.db2.gz QRUXMUCCTKFIGZ-UHFFFAOYSA-N 1 2 294.271 -1.612 20 0 CAADLO Cc1[nH+]ccn1CC(=O)NCC[NH2+]Cc1n[nH]c(=O)[n-]1 ZINC001151114748 779805018 /nfs/dbraw/zinc/80/50/18/779805018.db2.gz PSBIPHBBDNQUOC-UHFFFAOYSA-N 1 2 279.304 -1.079 20 0 CAADLO CNS(=O)(=O)CC(=O)NCC[NH2+]Cc1nc(C)no1 ZINC001151372710 779809081 /nfs/dbraw/zinc/80/90/81/779809081.db2.gz FGZXDWZPLLVUIN-UHFFFAOYSA-N 1 2 291.333 -1.867 20 0 CAADLO CNS(=O)(=O)CC(=O)NCC[NH2+]Cc1nncs1 ZINC001151379593 779810491 /nfs/dbraw/zinc/81/04/91/779810491.db2.gz LFGZJWJTBJGMPB-UHFFFAOYSA-N 1 2 293.374 -1.707 20 0 CAADLO CNS(=O)(=O)CC(=O)NCC[NH2+]Cc1cnon1 ZINC001151379510 779810778 /nfs/dbraw/zinc/81/07/78/779810778.db2.gz HTOHUVQZPJTFOX-UHFFFAOYSA-N 1 2 277.306 -2.175 20 0 CAADLO CC(=O)N1CCOC[C@H]1C(=O)NCC[NH2+]Cc1cnon1 ZINC001151585278 779811523 /nfs/dbraw/zinc/81/15/23/779811523.db2.gz AQSJODMLCBIXHU-NSHDSACASA-N 1 2 297.315 -1.477 20 0 CAADLO O=C(NC[C@]1(CO)COCC[NH2+]1)c1ncccc1O ZINC001151816706 779817485 /nfs/dbraw/zinc/81/74/85/779817485.db2.gz FXPJBDPPUVQKQU-LBPRGKRZSA-N 1 2 267.285 -1.132 20 0 CAADLO CCS(=O)(=O)CC(=O)NCC[NH2+]Cc1nnc(C)[nH]1 ZINC001152377296 779822537 /nfs/dbraw/zinc/82/25/37/779822537.db2.gz RSYUPNAAENNIBH-UHFFFAOYSA-N 1 2 289.361 -1.246 20 0 CAADLO NC(=O)Cn1cc(C(=O)NCC[NH2+]Cc2cnon2)nn1 ZINC001152415203 779824583 /nfs/dbraw/zinc/82/45/83/779824583.db2.gz YLSNLMRFVWVQON-UHFFFAOYSA-N 1 2 294.275 -2.334 20 0 CAADLO Cn1nnc2c(C(=O)NCCn3cc[nH+]c3)ncn2c1=O ZINC001152743713 779828587 /nfs/dbraw/zinc/82/85/87/779828587.db2.gz MMUPKMBYWFMIKP-UHFFFAOYSA-N 1 2 288.271 -1.551 20 0 CAADLO CCN(C(=O)c1ncn2c1nnn(C)c2=O)C1C[NH+](C)C1 ZINC001152750839 779829699 /nfs/dbraw/zinc/82/96/99/779829699.db2.gz DFWFWOJAZKZXDD-UHFFFAOYSA-N 1 2 291.315 -1.401 20 0 CAADLO CC(C)[NH+]1CC(NC(=O)c2ncn3c2nnn(C)c3=O)C1 ZINC001152759844 779830840 /nfs/dbraw/zinc/83/08/40/779830840.db2.gz MOFZWRLCZUPWSM-UHFFFAOYSA-N 1 2 291.315 -1.355 20 0 CAADLO [NH3+][C@@H]1NCN(C(=O)c2[nH]nc3cccnc32)[C@H]2NCN[C@@H]21 ZINC001153165483 779836513 /nfs/dbraw/zinc/83/65/13/779836513.db2.gz GDHHITFIQWJXTA-GMTAPVOTSA-N 1 2 288.315 -1.909 20 0 CAADLO O=C(Cn1cc[nH+]c1)NCC[NH2+]Cc1n[nH]c(=O)[n-]1 ZINC001153495111 779839961 /nfs/dbraw/zinc/83/99/61/779839961.db2.gz AJUXHJMPLKPTND-UHFFFAOYSA-N 1 2 265.277 -1.387 20 0 CAADLO NC(=O)N1CCC[C@H]1C(=O)NCC[NH2+]Cc1cnon1 ZINC001153586168 779843700 /nfs/dbraw/zinc/84/37/00/779843700.db2.gz JLGJRQKSGJYBFS-VIFPVBQESA-N 1 2 282.304 -1.182 20 0 CAADLO C[N@@H+]1CCc2nc(C(=O)N[C@@H](CO)C(N)=O)sc2C1 ZINC001154223665 779855056 /nfs/dbraw/zinc/85/50/56/779855056.db2.gz WLPSZTNBPMSJJO-ZETCQYMHSA-N 1 2 284.341 -1.293 20 0 CAADLO C[N@H+]1CCc2nc(C(=O)N[C@@H](CO)C(N)=O)sc2C1 ZINC001154223665 779855065 /nfs/dbraw/zinc/85/50/65/779855065.db2.gz WLPSZTNBPMSJJO-ZETCQYMHSA-N 1 2 284.341 -1.293 20 0 CAADLO C[N@@H+]1CCc2nc(C(=O)N[C@H](CO)C(N)=O)sc2C1 ZINC001154223664 779855157 /nfs/dbraw/zinc/85/51/57/779855157.db2.gz WLPSZTNBPMSJJO-SSDOTTSWSA-N 1 2 284.341 -1.293 20 0 CAADLO C[N@H+]1CCc2nc(C(=O)N[C@H](CO)C(N)=O)sc2C1 ZINC001154223664 779855163 /nfs/dbraw/zinc/85/51/63/779855163.db2.gz WLPSZTNBPMSJJO-SSDOTTSWSA-N 1 2 284.341 -1.293 20 0 CAADLO Cn1nnc(C[NH2+]CCCNC(=O)[C@@H]2CCCO2)n1 ZINC001154413546 779857356 /nfs/dbraw/zinc/85/73/56/779857356.db2.gz XGCLCHAYMBYISY-VIFPVBQESA-N 1 2 268.321 -1.015 20 0 CAADLO CC(=O)N1CCN(C(=O)N2CC[NH+](CCO)CC2)CC1 ZINC000242927971 779857729 /nfs/dbraw/zinc/85/77/29/779857729.db2.gz GXRVSWQWMFFONU-UHFFFAOYSA-N 1 2 284.360 -1.120 20 0 CAADLO CCc1nc(C[NH2+]CCCNC(=O)CNC(N)=O)no1 ZINC001154457292 779859330 /nfs/dbraw/zinc/85/93/30/779859330.db2.gz CQZLIDSNABRUQW-UHFFFAOYSA-N 1 2 284.320 -1.104 20 0 CAADLO Cn1nnc(C[NH2+]CCCNC(=O)CN2CCCC2=O)n1 ZINC001154494143 779860382 /nfs/dbraw/zinc/86/03/82/779860382.db2.gz JJTMTZWVDAPOKW-UHFFFAOYSA-N 1 2 295.347 -1.572 20 0 CAADLO Cn1nnc(C[NH2+]CCCNC(=O)c2ccn[nH]2)n1 ZINC001154893167 779867038 /nfs/dbraw/zinc/86/70/38/779867038.db2.gz YLNMLZKQYKCKDU-UHFFFAOYSA-N 1 2 264.293 -1.157 20 0 CAADLO Cn1nnc(C[NH2+]CCCNC(=O)c2cn[nH]c2)n1 ZINC001155016112 779868135 /nfs/dbraw/zinc/86/81/35/779868135.db2.gz HLNPGJCSRBDKPY-UHFFFAOYSA-N 1 2 264.293 -1.157 20 0 CAADLO CC[N@H+](CC(=O)Nc1ccon1)[C@H](C)CNC(=O)C(N)=O ZINC001154969276 779868735 /nfs/dbraw/zinc/86/87/35/779868735.db2.gz QMUNWSTZCLATDF-MRVPVSSYSA-N 1 2 297.315 -1.075 20 0 CAADLO CC[N@@H+](CC(=O)Nc1ccon1)[C@H](C)CNC(=O)C(N)=O ZINC001154969276 779868743 /nfs/dbraw/zinc/86/87/43/779868743.db2.gz QMUNWSTZCLATDF-MRVPVSSYSA-N 1 2 297.315 -1.075 20 0 CAADLO CCNC(=O)CCC(=O)NCCC[NH2+]Cc1nnn(C)n1 ZINC001155667608 779874772 /nfs/dbraw/zinc/87/47/72/779874772.db2.gz RHBYGKQBCAARJW-UHFFFAOYSA-N 1 2 297.363 -1.278 20 0 CAADLO COC(=O)[C@@H]1C[C@@H]1C(=O)NCCC[NH2+]Cc1nnn(C)n1 ZINC001155615369 779875210 /nfs/dbraw/zinc/87/52/10/779875210.db2.gz UCTGZGSYDOTKBO-DTWKUNHWSA-N 1 2 296.331 -1.385 20 0 CAADLO Cn1nnc(C[NH2+]CCCNC(=O)c2nccnc2N)n1 ZINC001155937395 779878644 /nfs/dbraw/zinc/87/86/44/779878644.db2.gz LNFGJOVFTPUQCO-UHFFFAOYSA-N 1 2 291.319 -1.508 20 0 CAADLO CC[N@H+](CC(N)=O)[C@H](C)CNC(=O)c1nnc[nH]1 ZINC001155929720 779878761 /nfs/dbraw/zinc/87/87/61/779878761.db2.gz FQCQNJDPOLTJSW-SSDOTTSWSA-N 1 2 254.294 -1.270 20 0 CAADLO CC[N@@H+](CC(N)=O)[C@H](C)CNC(=O)c1nnc[nH]1 ZINC001155929720 779878764 /nfs/dbraw/zinc/87/87/64/779878764.db2.gz FQCQNJDPOLTJSW-SSDOTTSWSA-N 1 2 254.294 -1.270 20 0 CAADLO CC[N@H+](CC(N)=O)[C@H](C)CNC(=O)c1ncn[nH]1 ZINC001155929720 779878769 /nfs/dbraw/zinc/87/87/69/779878769.db2.gz FQCQNJDPOLTJSW-SSDOTTSWSA-N 1 2 254.294 -1.270 20 0 CAADLO CC[N@@H+](CC(N)=O)[C@H](C)CNC(=O)c1ncn[nH]1 ZINC001155929720 779878775 /nfs/dbraw/zinc/87/87/75/779878775.db2.gz FQCQNJDPOLTJSW-SSDOTTSWSA-N 1 2 254.294 -1.270 20 0 CAADLO CC[N@H+](CC(N)=O)[C@H](C)CNC(=O)c1nc[nH]n1 ZINC001155929720 779878780 /nfs/dbraw/zinc/87/87/80/779878780.db2.gz FQCQNJDPOLTJSW-SSDOTTSWSA-N 1 2 254.294 -1.270 20 0 CAADLO O=C(/C=C/C[NH+]1CCOCC1)N[C@H]1C[C@@H](O)[C@@H](O)C1 ZINC001155985701 779880206 /nfs/dbraw/zinc/88/02/06/779880206.db2.gz XVVCHLLNVGHXPT-OXWDRAFHSA-N 1 2 270.329 -1.125 20 0 CAADLO Cn1nnc(C[NH2+]CCCNC(=O)Cc2cc[nH]n2)n1 ZINC001156081603 779882526 /nfs/dbraw/zinc/88/25/26/779882526.db2.gz KUFBXGGQZPOVGP-UHFFFAOYSA-N 1 2 278.320 -1.228 20 0 CAADLO COC(=O)[C@@H]1C[C@H](Nc2ccc(C(N)=O)nn2)C[NH2+]1 ZINC001156242798 779884735 /nfs/dbraw/zinc/88/47/35/779884735.db2.gz KTNMUZVWYQQMRW-XPUUQOCRSA-N 1 2 265.273 -1.109 20 0 CAADLO COC(=O)[C@@H]1C[C@H](Nc2cncc(C(N)=O)n2)C[NH2+]1 ZINC001156242434 779885188 /nfs/dbraw/zinc/88/51/88/779885188.db2.gz GFCSNUKAMHPLIJ-BQBZGAKWSA-N 1 2 265.273 -1.109 20 0 CAADLO Cn1nnc(C[NH2+]CCCNC(=O)[C@@H]2CCNC(=O)C2)n1 ZINC001156517571 779886868 /nfs/dbraw/zinc/88/68/68/779886868.db2.gz WQTPZNVHWBHKET-SECBINFHSA-N 1 2 295.347 -1.668 20 0 CAADLO Cn1nnc(C[NH2+]CCCNC(=O)CN2CCOCC2)n1 ZINC001156754398 779888745 /nfs/dbraw/zinc/88/87/45/779888745.db2.gz SSCVQRANRWQXED-UHFFFAOYSA-N 1 2 297.363 -1.862 20 0 CAADLO Cn1nnc(C[NH2+]CCCNC(=O)[C@@H]2COCCN2C)n1 ZINC001156799009 779889562 /nfs/dbraw/zinc/88/95/62/779889562.db2.gz IVKGADRGANNEPZ-JTQLQIEISA-N 1 2 297.363 -1.863 20 0 CAADLO C[C@@H](C(=O)NCCC[NH2+]Cc1nnn(C)n1)n1cncn1 ZINC001156792202 779889750 /nfs/dbraw/zinc/88/97/50/779889750.db2.gz VQNOKMDNOCBCQJ-VIFPVBQESA-N 1 2 293.335 -1.341 20 0 CAADLO Cn1nnc(C[NH2+]CCCNC(=O)c2cnn(C)c2N)n1 ZINC001156936805 779891885 /nfs/dbraw/zinc/89/18/85/779891885.db2.gz PRRJLQQDLIVAMK-UHFFFAOYSA-N 1 2 293.335 -1.565 20 0 CAADLO Cc1nc(-n2cncn2)cc(NC(CO)(CO)CO)[nH+]1 ZINC001157151100 779896844 /nfs/dbraw/zinc/89/68/44/779896844.db2.gz QAXNKLHJRAGWAJ-UHFFFAOYSA-N 1 2 280.288 -1.507 20 0 CAADLO Cc1nc(N(C)C)nc(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)[nH+]1 ZINC001157278688 779898289 /nfs/dbraw/zinc/89/82/89/779898289.db2.gz ICQXGQCRFBOROO-KYXWUPHJSA-N 1 2 283.332 -1.239 20 0 CAADLO Cn1nnc(C[NH2+]CCCNC(=O)c2cnnn2C)n1 ZINC001157354700 779901177 /nfs/dbraw/zinc/90/11/77/779901177.db2.gz QEBZJNIBFGPPGV-UHFFFAOYSA-N 1 2 279.308 -1.752 20 0 CAADLO CC(C)[C@@H](O)C(=O)NCCC[NH2+]Cc1nnn(C)n1 ZINC001157402637 779902293 /nfs/dbraw/zinc/90/22/93/779902293.db2.gz NGDFWOWJCDZRTL-SNVBAGLBSA-N 1 2 270.337 -1.177 20 0 CAADLO CCCN(CCOC)C(=O)[C@@H]([NH3+])Cc1nn[nH]n1 ZINC001157485352 779904318 /nfs/dbraw/zinc/90/43/18/779904318.db2.gz JWAYSXIXRRUHBG-QMMMGPOBSA-N 1 2 256.310 -1.046 20 0 CAADLO Cc1nnc(CC(=O)NCCC[NH2+]Cc2nnn(C)n2)o1 ZINC001157465789 779904664 /nfs/dbraw/zinc/90/46/64/779904664.db2.gz BCSNOBGWDBZHGS-UHFFFAOYSA-N 1 2 294.319 -1.260 20 0 CAADLO [NH3+][C@@H](Cc1nn[nH]n1)C(=O)N1CCn2cnnc2C1 ZINC001157508332 779906668 /nfs/dbraw/zinc/90/66/68/779906668.db2.gz SIRHJJSGUCLMEI-LURJTMIESA-N 1 2 263.265 -2.297 20 0 CAADLO COC(=O)[C@@H]([NH3+])CC(=O)N1CC(N2CC(F)C2)C1 ZINC001157527273 779907655 /nfs/dbraw/zinc/90/76/55/779907655.db2.gz KYZRXHKTWUEBHW-VIFPVBQESA-N 1 2 259.281 -1.259 20 0 CAADLO COC(=O)[C@@]1(F)CCN(C(=O)[C@@H]([NH3+])Cc2nn[nH]n2)C1 ZINC001157715832 779910925 /nfs/dbraw/zinc/91/09/25/779910925.db2.gz ISCCZEWTSYSSJR-QUBYGPBYSA-N 1 2 286.267 -1.817 20 0 CAADLO COC(=O)[C@]1(F)CCN(C(=O)[C@@H]([NH3+])Cc2nn[nH]n2)C1 ZINC001157715833 779911012 /nfs/dbraw/zinc/91/10/12/779911012.db2.gz ISCCZEWTSYSSJR-WKEGUHRASA-N 1 2 286.267 -1.817 20 0 CAADLO Cc1nc(CC(=O)NCCC[NH2+]Cc2nnnn2C)n[nH]1 ZINC001157737360 779912102 /nfs/dbraw/zinc/91/21/02/779912102.db2.gz ZNCYKNSCMOJKOK-UHFFFAOYSA-N 1 2 293.335 -1.525 20 0 CAADLO [NH3+][C@@H](Cc1nn[nH]n1)C(=O)N1C[C@@H](F)C[C@H](CO)C1 ZINC001157729064 779912220 /nfs/dbraw/zinc/91/22/20/779912220.db2.gz CGTKEJYTFJRXCQ-FXQIFTODSA-N 1 2 272.284 -1.752 20 0 CAADLO [NH3+][C@@H](Cc1nn[nH]n1)C(=O)N1CCC[C@H](F)C(=O)C1 ZINC001157730663 779912498 /nfs/dbraw/zinc/91/24/98/779912498.db2.gz PCDJQWOMZSKAFY-BQBZGAKWSA-N 1 2 270.268 -1.401 20 0 CAADLO [NH3+][C@@H](Cc1nn[nH]n1)C(=O)N1CC(F)(F)CC[C@@H]1CO ZINC001157730603 779912512 /nfs/dbraw/zinc/91/25/12/779912512.db2.gz NHIIIVLYJBIPEK-RQJHMYQMSA-N 1 2 290.274 -1.312 20 0 CAADLO COC(=O)[C@@H]1C[N@H+](C)CCN1c1cncc(C(N)=O)n1 ZINC001157770777 779913554 /nfs/dbraw/zinc/91/35/54/779913554.db2.gz QVYOSFFHTCCTSJ-VIFPVBQESA-N 1 2 279.300 -1.131 20 0 CAADLO COC(=O)[C@@H]1C[N@@H+](C)CCN1c1cncc(C(N)=O)n1 ZINC001157770777 779913557 /nfs/dbraw/zinc/91/35/57/779913557.db2.gz QVYOSFFHTCCTSJ-VIFPVBQESA-N 1 2 279.300 -1.131 20 0 CAADLO [NH3+][C@@H](Cc1nn[nH]n1)C(=O)N1CCC[C@](O)(CF)CC1 ZINC001157781137 779913609 /nfs/dbraw/zinc/91/36/09/779913609.db2.gz MPHQVJHHKPLNJS-GZMMTYOYSA-N 1 2 286.311 -1.217 20 0 CAADLO [NH3+][C@@H](Cc1nn[nH]n1)C(=O)N1CC[C@@H](CO)[C@@H](O)C1 ZINC001157905348 779917729 /nfs/dbraw/zinc/91/77/29/779917729.db2.gz SRSCUMJWBNSPJN-FXQIFTODSA-N 1 2 270.293 -2.729 20 0 CAADLO [NH3+][C@@H](Cc1nn[nH]n1)C(=O)N1CC[C@H](CO)[C@@H](O)C1 ZINC001157905347 779917879 /nfs/dbraw/zinc/91/78/79/779917879.db2.gz SRSCUMJWBNSPJN-CSMHCCOUSA-N 1 2 270.293 -2.729 20 0 CAADLO [NH3+][C@@H](Cc1nn[nH]n1)C(=O)N1CC[C@@H](O)[C@@H](CO)C1 ZINC001157935868 779918521 /nfs/dbraw/zinc/91/85/21/779918521.db2.gz WXSCUDLEQNAFNM-GJMOJQLCSA-N 1 2 270.293 -2.729 20 0 CAADLO [NH3+][C@@H](Cc1nn[nH]n1)C(=O)N1CC[C@H](O)[C@@H](CO)C1 ZINC001157935864 779918653 /nfs/dbraw/zinc/91/86/53/779918653.db2.gz WXSCUDLEQNAFNM-CSMHCCOUSA-N 1 2 270.293 -2.729 20 0 CAADLO [NH3+][C@@H](Cc1nn[nH]n1)C(=O)N1CC[C@H](O)[C@H](CO)C1 ZINC001157935866 779919074 /nfs/dbraw/zinc/91/90/74/779919074.db2.gz WXSCUDLEQNAFNM-FXQIFTODSA-N 1 2 270.293 -2.729 20 0 CAADLO COC(=O)[C@@H]([NH3+])CC(=O)N1CC[C@H](O)[C@H](CO)C1 ZINC001157935007 779919212 /nfs/dbraw/zinc/91/92/12/779919212.db2.gz QAVCUUJLQMCSLE-CIUDSAMLSA-N 1 2 260.290 -1.922 20 0 CAADLO C[C@H](CC(=O)NCCC[NH2+]Cc1nnn(C)n1)NC(N)=O ZINC001157939564 779919612 /nfs/dbraw/zinc/91/96/12/779919612.db2.gz RDOIIAHGAZTJKA-MRVPVSSYSA-N 1 2 298.351 -1.747 20 0 CAADLO CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)[C@@H]1CNC(=O)N1 ZINC001157997647 779923468 /nfs/dbraw/zinc/92/34/68/779923468.db2.gz BIDMMPRPJSCMML-YUMQZZPRSA-N 1 2 270.289 -1.969 20 0 CAADLO CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)C1(F)CNC1 ZINC001157998440 779924057 /nfs/dbraw/zinc/92/40/57/779924057.db2.gz FNHKBADDTOAIFV-MRVPVSSYSA-N 1 2 259.281 -1.339 20 0 CAADLO CN(C(=O)[C@@H]([NH3+])Cc1nn[nH]n1)[C@H]1CC[C@H](O)CC1 ZINC001157988193 779924101 /nfs/dbraw/zinc/92/41/01/779924101.db2.gz BNPQIIOAJXOJMX-CIUDSAMLSA-N 1 2 268.321 -1.169 20 0 CAADLO COC(=O)[C@@H]([NH3+])CC(=O)N(C[C@@H](O)CO)C(C)(C)C ZINC001158014491 779924439 /nfs/dbraw/zinc/92/44/39/779924439.db2.gz MCEJYOHYHWMYHQ-BDAKNGLRSA-N 1 2 276.333 -1.143 20 0 CAADLO COC(=O)[C@@H]([NH3+])CC(=O)N1C[C@@H](F)C[C@H]1C(=O)OC ZINC001158015581 779924507 /nfs/dbraw/zinc/92/45/07/779924507.db2.gz SYTYOBDENXTQKY-FXQIFTODSA-N 1 2 276.264 -1.011 20 0 CAADLO CN1CCN(c2ccc(-n3nnnc3C[NH3+])nn2)CC1 ZINC001158074420 779924862 /nfs/dbraw/zinc/92/48/62/779924862.db2.gz FDBVEQBHZJJIKN-UHFFFAOYSA-N 1 2 275.320 -1.337 20 0 CAADLO CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)c1nc(N)cn1C ZINC001158005883 779925285 /nfs/dbraw/zinc/92/52/85/779925285.db2.gz DTWIANKAPZPJDD-QMMMGPOBSA-N 1 2 281.316 -1.021 20 0 CAADLO C[NH+]1CCN(c2nccc(-n3nnnc3C[NH3+])n2)CC1 ZINC001158080060 779925582 /nfs/dbraw/zinc/92/55/82/779925582.db2.gz FFJOGMKYPOPYQX-UHFFFAOYSA-N 1 2 275.320 -1.337 20 0 CAADLO [NH3+][C@@H](Cc1nn[nH]n1)C(=O)N1CCC2(COC2)C1 ZINC001158167491 779928965 /nfs/dbraw/zinc/92/89/65/779928965.db2.gz GXZBYBGTAMLNRZ-ZETCQYMHSA-N 1 2 252.278 -1.682 20 0 CAADLO COC(=O)[C@@H]1C[C@@H](Nc2cncc(C(N)=O)n2)C[NH2+]1 ZINC001158253854 779931211 /nfs/dbraw/zinc/93/12/11/779931211.db2.gz GFCSNUKAMHPLIJ-RQJHMYQMSA-N 1 2 265.273 -1.109 20 0 CAADLO [NH3+][C@@H](Cc1nn[nH]n1)C(=O)N1CC[C@@H]2CCO[C@H]2C1 ZINC001158340139 779933449 /nfs/dbraw/zinc/93/34/49/779933449.db2.gz ZCUIVNXTYSBWHK-VGMNWLOBSA-N 1 2 266.305 -1.293 20 0 CAADLO NC(=O)[C@@H](CO)Nc1ccc(Cn2cncn2)c[nH+]1 ZINC001158443970 779935579 /nfs/dbraw/zinc/93/55/79/779935579.db2.gz MRHALXZUHQQIME-SECBINFHSA-N 1 2 262.273 -1.021 20 0 CAADLO NC(=O)[C@H](CO)Nc1cc(N2CCC[C@H]2C(N)=O)nc[nH+]1 ZINC001158442890 779935684 /nfs/dbraw/zinc/93/56/84/779935684.db2.gz DLCSCRZFVKESNJ-YUMQZZPRSA-N 1 2 294.315 -1.811 20 0 CAADLO NC(=O)[C@H](CO)Nc1cc(N2CCC[C@H]2C(N)=O)[nH+]cn1 ZINC001158442890 779935690 /nfs/dbraw/zinc/93/56/90/779935690.db2.gz DLCSCRZFVKESNJ-YUMQZZPRSA-N 1 2 294.315 -1.811 20 0 CAADLO NC(=O)[C@H](CO)Nc1ccc(Cn2cncn2)c[nH+]1 ZINC001158443972 779935880 /nfs/dbraw/zinc/93/58/80/779935880.db2.gz MRHALXZUHQQIME-VIFPVBQESA-N 1 2 262.273 -1.021 20 0 CAADLO NC(=O)[C@@H](CO)Nc1cc(N2CCC[C@H]2C(N)=O)nc[nH+]1 ZINC001158442889 779936215 /nfs/dbraw/zinc/93/62/15/779936215.db2.gz DLCSCRZFVKESNJ-SFYZADRCSA-N 1 2 294.315 -1.811 20 0 CAADLO NC(=O)[C@@H](CO)Nc1cc(N2CCC[C@H]2C(N)=O)[nH+]cn1 ZINC001158442889 779936220 /nfs/dbraw/zinc/93/62/20/779936220.db2.gz DLCSCRZFVKESNJ-SFYZADRCSA-N 1 2 294.315 -1.811 20 0 CAADLO CCC(=O)N[C@@H](C)C(=O)NCCC[NH2+]Cc1nnn(C)n1 ZINC001158662620 779938092 /nfs/dbraw/zinc/93/80/92/779938092.db2.gz AEIMDWFAOZDNKZ-VIFPVBQESA-N 1 2 297.363 -1.279 20 0 CAADLO Cc1c(F)cc[nH+]c1N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O ZINC001158977936 779943430 /nfs/dbraw/zinc/94/34/30/779943430.db2.gz LJCUPPWRTKDLAF-CDPPZIPSSA-N 1 2 288.275 -1.259 20 0 CAADLO Cn1nnc(C[NH2+]CCCNC(=O)[C@H]2CC(=O)N(C)C2)n1 ZINC001159251513 779945748 /nfs/dbraw/zinc/94/57/48/779945748.db2.gz ZUZKQYDPWJVGLK-VIFPVBQESA-N 1 2 295.347 -1.716 20 0 CAADLO Cn1nnc(C[NH2+]CCCNC(=O)[C@@H]2CC(=O)N(C)C2)n1 ZINC001159251511 779945799 /nfs/dbraw/zinc/94/57/99/779945799.db2.gz ZUZKQYDPWJVGLK-SECBINFHSA-N 1 2 295.347 -1.716 20 0 CAADLO Cn1c[nH+]cc1CCC(=O)N1CC2(C1)NC(=O)NC2=O ZINC001159371373 779948847 /nfs/dbraw/zinc/94/88/47/779948847.db2.gz VHRGUEQFHCYIOH-UHFFFAOYSA-N 1 2 277.284 -1.227 20 0 CAADLO Cn1nnc(C[NH2+]CCCNC(=O)C[C@H]2CCNC2=O)n1 ZINC001159799673 779951015 /nfs/dbraw/zinc/95/10/15/779951015.db2.gz JMFPWPAVHKIBBT-SECBINFHSA-N 1 2 295.347 -1.668 20 0 CAADLO Cn1nnc(C[NH2+]CCCNC(=O)C[C@@H]2CCNC2=O)n1 ZINC001159799674 779951069 /nfs/dbraw/zinc/95/10/69/779951069.db2.gz JMFPWPAVHKIBBT-VIFPVBQESA-N 1 2 295.347 -1.668 20 0 CAADLO COC(=O)[C@@H]1C(=O)NCCN1Cc1c[nH+]cn1C ZINC001204389009 779952969 /nfs/dbraw/zinc/95/29/69/779952969.db2.gz KOZMYMHPHFBSQF-VIFPVBQESA-N 1 2 252.274 -1.107 20 0 CAADLO C[C@@H]1OCCO[C@@H]1C(=O)NCCC[NH2+]Cc1nnn(C)n1 ZINC001160228969 779957541 /nfs/dbraw/zinc/95/75/41/779957541.db2.gz VDGPSOFKYKKQEC-ONGXEEELSA-N 1 2 298.347 -1.390 20 0 CAADLO COC(=O)[C@@H]([NH3+])CC(=O)N1CCN(C(N)=O)CC1 ZINC001160456959 779960898 /nfs/dbraw/zinc/96/08/98/779960898.db2.gz WGQBUDBYFUELPJ-ZETCQYMHSA-N 1 2 258.278 -1.900 20 0 CAADLO C[C@@H]1C(=O)NCCN1C(=O)[C@@H]([NH3+])Cc1nn[nH]n1 ZINC001160452007 779960927 /nfs/dbraw/zinc/96/09/27/779960927.db2.gz WRJYYDMKOYZPBJ-RITPCOANSA-N 1 2 253.266 -2.584 20 0 CAADLO CCN(CCC(N)=O)C(=O)[C@@H]([NH3+])Cc1nn[nH]n1 ZINC001160471249 779962367 /nfs/dbraw/zinc/96/23/67/779962367.db2.gz SWOAYLHNHIFICD-LURJTMIESA-N 1 2 255.282 -2.207 20 0 CAADLO Cc1cc(CN(C)C(=O)[C@@H]([NH3+])Cc2nn[nH]n2)n(C)n1 ZINC001160474906 779962766 /nfs/dbraw/zinc/96/27/66/779962766.db2.gz KIBXFDJQMZMMMV-VIFPVBQESA-N 1 2 278.320 -1.230 20 0 CAADLO Cn1cc2c(n1)CCN(C(=O)[C@@H]([NH3+])Cc1nn[nH]n1)C2 ZINC001160555518 779966402 /nfs/dbraw/zinc/96/64/02/779966402.db2.gz AMLFTKAJZLUICA-QMMMGPOBSA-N 1 2 276.304 -1.612 20 0 CAADLO COC(=O)C[C@H]1CN(C(=O)C[C@H]([NH3+])C(=O)OC)CCO1 ZINC001160596696 779968254 /nfs/dbraw/zinc/96/82/54/779968254.db2.gz UCBTZKLEJZJKNQ-IUCAKERBSA-N 1 2 288.300 -1.333 20 0 CAADLO COC(=O)C[C@@H]1CN(C(=O)C[C@H]([NH3+])C(=O)OC)CCO1 ZINC001160596695 779968509 /nfs/dbraw/zinc/96/85/09/779968509.db2.gz UCBTZKLEJZJKNQ-BDAKNGLRSA-N 1 2 288.300 -1.333 20 0 CAADLO CCOC(=O)[C@@H]1CN(C(=O)[C@@H]([NH3+])Cc2nn[nH]n2)CCO1 ZINC001160597527 779968577 /nfs/dbraw/zinc/96/85/77/779968577.db2.gz SXHXKEBCVHXTHG-YUMQZZPRSA-N 1 2 298.303 -2.140 20 0 CAADLO [NH3+][C@@H](Cc1nn[nH]n1)C(=O)N1CCN2C(=O)OC[C@H]2C1 ZINC001160641003 779972413 /nfs/dbraw/zinc/97/24/13/779972413.db2.gz UFSIHAAOGXDZTN-RQJHMYQMSA-N 1 2 281.276 -2.268 20 0 CAADLO COC(=O)[C@@H]([NH3+])CC(=O)N1CCN2C(=O)CC[C@@H]2C1 ZINC001160647576 779973634 /nfs/dbraw/zinc/97/36/34/779973634.db2.gz ODODXQWMMLCWRG-BDAKNGLRSA-N 1 2 269.301 -1.290 20 0 CAADLO COC(=O)[C@@H]([NH3+])CC(=O)N1CC(NS(C)(=O)=O)C1 ZINC001160658584 779975355 /nfs/dbraw/zinc/97/53/55/779975355.db2.gz WZOCEIRQJXVGEH-ZETCQYMHSA-N 1 2 279.318 -2.363 20 0 CAADLO C[C@@H]1C[C@H](O)CCN1C(=O)[C@@H]([NH3+])Cc1nn[nH]n1 ZINC001160654895 779975608 /nfs/dbraw/zinc/97/56/08/779975608.db2.gz FIDMBXZYMMMESA-PRJMDXOYSA-N 1 2 254.294 -1.559 20 0 CAADLO COC(=O)[C@@H]([NH3+])CC(=O)N1CCO[C@H](C(N)=O)C1 ZINC001160704329 779976410 /nfs/dbraw/zinc/97/64/10/779976410.db2.gz JPHQJQXZFJTJJQ-BQBZGAKWSA-N 1 2 259.262 -2.411 20 0 CAADLO COC(CN(C)C(=O)[C@@H]([NH3+])Cc1nn[nH]n1)OC ZINC001160684655 779976636 /nfs/dbraw/zinc/97/66/36/779976636.db2.gz XYBAASOUCMUHMU-LURJTMIESA-N 1 2 258.282 -1.853 20 0 CAADLO NC(=O)[C@@H]1CN(C(=O)[C@@H]([NH3+])Cc2nn[nH]n2)CCO1 ZINC001160703382 779977130 /nfs/dbraw/zinc/97/71/30/779977130.db2.gz DFXGQGGGWDXPFS-WDSKDSINSA-N 1 2 269.265 -3.218 20 0 CAADLO NC(=O)[C@H]1CN(C(=O)[C@@H]([NH3+])Cc2nn[nH]n2)CCO1 ZINC001160703381 779977335 /nfs/dbraw/zinc/97/73/35/779977335.db2.gz DFXGQGGGWDXPFS-NTSWFWBYSA-N 1 2 269.265 -3.218 20 0 CAADLO CN(CCC1OCCO1)C(=O)[C@@H]([NH3+])Cc1nn[nH]n1 ZINC001160683923 779977381 /nfs/dbraw/zinc/97/73/81/779977381.db2.gz OPLRSAWUFLGHAU-ZETCQYMHSA-N 1 2 270.293 -1.709 20 0 CAADLO [NH3+][C@@H](Cc1nn[nH]n1)C(=O)N1CCO[C@@H](C(F)(F)F)C1 ZINC001160705701 779978851 /nfs/dbraw/zinc/97/88/51/779978851.db2.gz QKMFJRMWROKGRD-NTSWFWBYSA-N 1 2 294.237 -1.141 20 0 CAADLO C[C@@H]1CO[C@@H]2CN(C(=O)[C@@H]([NH3+])Cc3nn[nH]n3)C[C@H]12 ZINC001160756529 779979848 /nfs/dbraw/zinc/97/98/48/779979848.db2.gz OHZZKIUGHKPSGT-LURQLKTLSA-N 1 2 266.305 -1.437 20 0 CAADLO COC(=O)[C@@H]([NH3+])CC(=O)N1CCN2C(=O)COC[C@H]2C1 ZINC001160790024 779981591 /nfs/dbraw/zinc/98/15/91/779981591.db2.gz IJGCXLZWJLXEKC-BDAKNGLRSA-N 1 2 285.300 -2.054 20 0 CAADLO COC(=O)[C@@H]([NH3+])CC(=O)N1CCn2nncc2C1 ZINC001160831574 779982542 /nfs/dbraw/zinc/98/25/42/779982542.db2.gz AYPIQVYRCGAOOI-QMMMGPOBSA-N 1 2 253.262 -1.489 20 0 CAADLO [NH3+][C@@H](Cc1nn[nH]n1)C(=O)N1CCn2nncc2C1 ZINC001160831676 779982793 /nfs/dbraw/zinc/98/27/93/779982793.db2.gz BVXCSXCWFUCWKA-ZETCQYMHSA-N 1 2 263.265 -2.297 20 0 CAADLO [NH3+][C@@H](Cc1nn[nH]n1)C(=O)N(CCO)CC(F)(F)F ZINC001160909291 779986918 /nfs/dbraw/zinc/98/69/18/779986918.db2.gz RGPHEMVEDAQIME-YFKPBYRVSA-N 1 2 282.226 -1.547 20 0 CAADLO [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC(O)([C@H]2CCCC[NH2+]2)C1 ZINC001161000325 779988732 /nfs/dbraw/zinc/98/87/32/779988732.db2.gz RWZPYMOROWQLSH-NWDGAFQWSA-N 1 2 293.371 -1.005 20 0 CAADLO [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC(O)([C@@H]2CCCC[NH2+]2)C1 ZINC001161000326 779988779 /nfs/dbraw/zinc/98/87/79/779988779.db2.gz RWZPYMOROWQLSH-RYUDHWBXSA-N 1 2 293.371 -1.005 20 0 CAADLO CC(=O)[C@@H]1CCN(C(=O)[C@@H]([NH3+])Cc2nn[nH]n2)C1 ZINC001161035039 779990494 /nfs/dbraw/zinc/99/04/94/779990494.db2.gz QTFIYMZYWWPUSN-SFYZADRCSA-N 1 2 252.278 -1.493 20 0 CAADLO CC(=O)[C@H]1CCN(C(=O)[C@@H]([NH3+])Cc2nn[nH]n2)C1 ZINC001161035040 779990725 /nfs/dbraw/zinc/99/07/25/779990725.db2.gz QTFIYMZYWWPUSN-YUMQZZPRSA-N 1 2 252.278 -1.493 20 0 CAADLO [NH3+][C@@H](Cc1nn[nH]n1)C(=O)N1CCC2(CNC(=O)N2)CC1 ZINC001161082882 779993079 /nfs/dbraw/zinc/99/30/79/779993079.db2.gz QBIRAMDCABNYJS-ZETCQYMHSA-N 1 2 294.319 -2.257 20 0 CAADLO COC(=O)[C@@H]([NH3+])CC(=O)N1CCC2(CNC(=O)N2)CC1 ZINC001161084016 779994185 /nfs/dbraw/zinc/99/41/85/779994185.db2.gz VZPSNOUDPSTSIU-QMMMGPOBSA-N 1 2 284.316 -1.449 20 0 CAADLO Cn1cc(C[N@H+]2CC=C(CCNC(=O)C(N)=O)CC2)nn1 ZINC001161096363 779995758 /nfs/dbraw/zinc/99/57/58/779995758.db2.gz HJRVRKCSCFNGRB-UHFFFAOYSA-N 1 2 292.343 -1.061 20 0 CAADLO Cn1cc(C[N@@H+]2CC=C(CCNC(=O)C(N)=O)CC2)nn1 ZINC001161096363 779995766 /nfs/dbraw/zinc/99/57/66/779995766.db2.gz HJRVRKCSCFNGRB-UHFFFAOYSA-N 1 2 292.343 -1.061 20 0 CAADLO CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N(C)CCO ZINC001161106506 779995926 /nfs/dbraw/zinc/99/59/26/779995926.db2.gz ZFUMNKAFFVISMT-SNVBAGLBSA-N 1 2 254.290 -1.092 20 0 CAADLO CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N(C)CCO ZINC001161106506 779995932 /nfs/dbraw/zinc/99/59/32/779995932.db2.gz ZFUMNKAFFVISMT-SNVBAGLBSA-N 1 2 254.290 -1.092 20 0 CAADLO COC(=O)[C@]1([NH3+])CCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001161138033 779996964 /nfs/dbraw/zinc/99/69/64/779996964.db2.gz LFCJIHUZQHWYTP-WKEGUHRASA-N 1 2 256.262 -2.229 20 0 CAADLO COC(=O)[C@@]1([NH3+])CCN(C(=O)[C@@H](N)C(F)(F)F)C1 ZINC001161137450 779997311 /nfs/dbraw/zinc/99/73/11/779997311.db2.gz DYMMDFVRKGIFPY-SVGQVSJJSA-N 1 2 269.223 -1.021 20 0 CAADLO COC(=O)[C@@]1([NH3+])CCN(C(=O)[C@H](N)C(F)(F)F)C1 ZINC001161137453 779997730 /nfs/dbraw/zinc/99/77/30/779997730.db2.gz DYMMDFVRKGIFPY-YLWLKBPMSA-N 1 2 269.223 -1.021 20 0 CAADLO COC(=O)[C@]1([NH3+])CCN(C(=O)[C@@H](N)C(F)(F)F)C1 ZINC001161137452 779998091 /nfs/dbraw/zinc/99/80/91/779998091.db2.gz DYMMDFVRKGIFPY-XRGYYRRGSA-N 1 2 269.223 -1.021 20 0 CAADLO COC(=O)[C@@]1([NH3+])CCN(C(=O)c2nc(N)cn2C)C1 ZINC001161139183 779999027 /nfs/dbraw/zinc/99/90/27/779999027.db2.gz MTTQEHUEPOGSRC-LLVKDONJSA-N 1 2 267.289 -1.281 20 0 CAADLO Cn1c[nH+]c(CCNC(=O)Cn2nnc(N)n2)c1 ZINC001161166548 780000022 /nfs/dbraw/zinc/00/00/22/780000022.db2.gz BKDTWXYASGRIAH-UHFFFAOYSA-N 1 2 250.266 -1.652 20 0 CAADLO [NH3+][C@@H](Cc1nn[nH]n1)C(=O)N1CCC[C@@H](n2ccnn2)C1 ZINC001161234371 780003204 /nfs/dbraw/zinc/00/32/04/780003204.db2.gz BUXFOJJHLDCQSC-BDAKNGLRSA-N 1 2 291.319 -1.475 20 0 CAADLO COC(=O)[C@@H](N)CC(=O)N1CC[N@H+](C)C[C@@H]1C(=O)OC ZINC001161237794 780003784 /nfs/dbraw/zinc/00/37/84/780003784.db2.gz OKBANBMZUSFZTG-DTWKUNHWSA-N 1 2 287.316 -1.808 20 0 CAADLO COC(=O)[C@@H](N)CC(=O)N1CC[N@@H+](C)C[C@@H]1C(=O)OC ZINC001161237794 780003788 /nfs/dbraw/zinc/00/37/88/780003788.db2.gz OKBANBMZUSFZTG-DTWKUNHWSA-N 1 2 287.316 -1.808 20 0 CAADLO C[C@@H]1CN(C(=O)[C@@H]([NH3+])Cc2nn[nH]n2)[C@@H](C)CO1 ZINC001161235498 780003906 /nfs/dbraw/zinc/00/39/06/780003906.db2.gz TTXPDMJQIKMLQY-RNJXMRFFSA-N 1 2 254.294 -1.295 20 0 CAADLO COC(=O)[C@]1(C)COCCN1C(=O)[C@@H]([NH3+])Cc1nn[nH]n1 ZINC001161374483 780010654 /nfs/dbraw/zinc/01/06/54/780010654.db2.gz VTSSRSHAJSPMSL-CPCISQLKSA-N 1 2 298.303 -2.140 20 0 CAADLO COC(=O)[C@H]1CN(C(=O)[C@@H]([NH3+])Cc2nn[nH]n2)C[C@@H]1C ZINC001161459437 780013485 /nfs/dbraw/zinc/01/34/85/780013485.db2.gz KMBCEMNWILACKW-FXQIFTODSA-N 1 2 282.304 -1.663 20 0 CAADLO [NH3+][C@@H](Cc1nn[nH]n1)C(=O)N1C[C@@H]2COC[C@H](C1)C2=O ZINC001161491652 780017788 /nfs/dbraw/zinc/01/77/88/780017788.db2.gz HDOIDBLDDRNBGT-RNJXMRFFSA-N 1 2 280.288 -2.257 20 0 CAADLO COCCOC1CN(C(=O)C[C@H]([NH3+])C(=O)OC)C1 ZINC001161572474 780022689 /nfs/dbraw/zinc/02/26/89/780022689.db2.gz PWQDJUZUSQANGP-VIFPVBQESA-N 1 2 260.290 -1.249 20 0 CAADLO Cn1nnc(C[NH2+]CCCNC(=O)[C@@H]2CCC(=O)NC2)n1 ZINC001161628259 780024232 /nfs/dbraw/zinc/02/42/32/780024232.db2.gz ONSYPPLKXIPIIE-SECBINFHSA-N 1 2 295.347 -1.668 20 0 CAADLO C[C@@H]1C[N@H+](CCO)CCN1C(=O)c1cn(C)nn1 ZINC001161634768 780024748 /nfs/dbraw/zinc/02/47/48/780024748.db2.gz OKCRXCPXRVPGKL-SECBINFHSA-N 1 2 253.306 -1.046 20 0 CAADLO C[C@@H]1C[N@@H+](CCO)CCN1C(=O)c1cn(C)nn1 ZINC001161634768 780024757 /nfs/dbraw/zinc/02/47/57/780024757.db2.gz OKCRXCPXRVPGKL-SECBINFHSA-N 1 2 253.306 -1.046 20 0 CAADLO Cn1nnc(C[NH2+]CCCNC(=O)[C@H]2CCC(=O)NC2)n1 ZINC001161628260 780025040 /nfs/dbraw/zinc/02/50/40/780025040.db2.gz ONSYPPLKXIPIIE-VIFPVBQESA-N 1 2 295.347 -1.668 20 0 CAADLO Cn1[nH]c(C[NH2+]CCCNC(=O)c2cn[nH]n2)nc1=O ZINC001161691405 780025602 /nfs/dbraw/zinc/02/56/02/780025602.db2.gz QIALAXZEAZIMDG-UHFFFAOYSA-N 1 2 280.292 -1.864 20 0 CAADLO Cn1[nH]c(C[NH2+]CCCNC(=O)c2cnn[nH]2)nc1=O ZINC001161691405 780025605 /nfs/dbraw/zinc/02/56/05/780025605.db2.gz QIALAXZEAZIMDG-UHFFFAOYSA-N 1 2 280.292 -1.864 20 0 CAADLO NC(=O)[C@@H]1CCCN1c1cc(NC(CO)CO)[nH+]cn1 ZINC001161748800 780026415 /nfs/dbraw/zinc/02/64/15/780026415.db2.gz OMIRBZFNIOWGHQ-VIFPVBQESA-N 1 2 281.316 -1.304 20 0 CAADLO NC(=O)[C@@H]1CCCN1c1cc(NC(CO)CO)nc[nH+]1 ZINC001161748800 780026420 /nfs/dbraw/zinc/02/64/20/780026420.db2.gz OMIRBZFNIOWGHQ-VIFPVBQESA-N 1 2 281.316 -1.304 20 0 CAADLO CS(=O)(=O)c1cccnc1N1CN[C@H]([NH3+])[C@H]2NCN[C@@H]21 ZINC001162438018 780038946 /nfs/dbraw/zinc/03/89/46/780038946.db2.gz FHPXFYWUNUAHKV-WCABBAIRSA-N 1 2 298.372 -2.018 20 0 CAADLO [NH3+][C@@H]1NCN(c2n[nH]c(Cl)c3ncnc2-3)[C@H]2NCN[C@@H]21 ZINC001162439749 780042571 /nfs/dbraw/zinc/04/25/71/780042571.db2.gz OHATWANADXHIST-FTLITQJKSA-N 1 2 295.738 -1.497 20 0 CAADLO [NH3+][C@@H]1NCN(c2n[nH]c(Cl)c3ncnc2-3)[C@@H]2NCN[C@H]21 ZINC001162439752 780043287 /nfs/dbraw/zinc/04/32/87/780043287.db2.gz OHATWANADXHIST-ZQARSLAVSA-N 1 2 295.738 -1.497 20 0 CAADLO CS(=O)(=O)c1ccc(N2CN[C@H]([NH3+])[C@@H]3NCN[C@@H]32)nc1 ZINC001162443865 780047920 /nfs/dbraw/zinc/04/79/20/780047920.db2.gz ABYRGEHVFRHTLM-GARJFASQSA-N 1 2 298.372 -2.018 20 0 CAADLO Cn1nnc(C[NH2+]CCCNC(=O)[C@H]2CC[C@H]2C(N)=O)n1 ZINC001163922377 780063862 /nfs/dbraw/zinc/06/38/62/780063862.db2.gz FCAVJDLPSCHDRJ-BDAKNGLRSA-N 1 2 295.347 -1.683 20 0 CAADLO Cn1nnc(C[NH2+]CCCNC(=O)[C@@H]2CC[C@@H]2C(N)=O)n1 ZINC001163922378 780064005 /nfs/dbraw/zinc/06/40/05/780064005.db2.gz FCAVJDLPSCHDRJ-DTWKUNHWSA-N 1 2 295.347 -1.683 20 0 CAADLO Cn1nnc(C[NH2+]CCCNC(=O)[C@H]2CN(C)C(=O)N2)n1 ZINC001163939267 780065862 /nfs/dbraw/zinc/06/58/62/780065862.db2.gz HYLFJJAQBOYZLT-MRVPVSSYSA-N 1 2 296.335 -2.170 20 0 CAADLO Cn1nnc(C[NH2+]CCCNC(=O)[C@@H]2CCC(=O)N2C)n1 ZINC001164140493 780068098 /nfs/dbraw/zinc/06/80/98/780068098.db2.gz MGUGCEVDAZVKHF-VIFPVBQESA-N 1 2 295.347 -1.573 20 0 CAADLO Cn1nnc(C[NH2+]CCCNC(=O)[C@H]2[C@@H]3COC[C@@H]32)n1 ZINC001164268229 780070672 /nfs/dbraw/zinc/07/06/72/780070672.db2.gz DXQGGMKVXXFIFD-JZYVYDRUSA-N 1 2 280.332 -1.302 20 0 CAADLO COC(=O)[C@@H]1C[C@H](Nc2nc(OC)nc(OC)n2)C[NH2+]1 ZINC001164300292 780072000 /nfs/dbraw/zinc/07/20/00/780072000.db2.gz LVONSUUMPMAFOM-BQBZGAKWSA-N 1 2 283.288 -1.374 20 0 CAADLO COC(=O)[C@@H]1C[C@H](Nc2cnc(C(N)=O)cn2)C[NH2+]1 ZINC001164301888 780072267 /nfs/dbraw/zinc/07/22/67/780072267.db2.gz KJUBNXPDPCWRKV-BQBZGAKWSA-N 1 2 265.273 -1.109 20 0 CAADLO COC(=O)[C@@H]1C[C@H](Nc2cc(C(N)=O)ncn2)C[NH2+]1 ZINC001164305791 780072632 /nfs/dbraw/zinc/07/26/32/780072632.db2.gz BBYXMQOULVFUHR-XPUUQOCRSA-N 1 2 265.273 -1.109 20 0 CAADLO Cn1nnc(C[NH2+]CCCNC(=O)[C@@]2(F)CCOC2)n1 ZINC001164566608 780074671 /nfs/dbraw/zinc/07/46/71/780074671.db2.gz HWJOQNVTOPFBOC-LLVKDONJSA-N 1 2 286.311 -1.065 20 0 CAADLO Cn1nnc(C[NH2+]CCCNC(=O)[C@]2(F)CCOC2)n1 ZINC001164566610 780074753 /nfs/dbraw/zinc/07/47/53/780074753.db2.gz HWJOQNVTOPFBOC-NSHDSACASA-N 1 2 286.311 -1.065 20 0 CAADLO Cn1nnc(C[NH2+]CCCNC(=O)[C@@H]2CNC(=O)N2)n1 ZINC001165467395 780080301 /nfs/dbraw/zinc/08/03/01/780080301.db2.gz MXRPWFVQBOIENX-ZETCQYMHSA-N 1 2 282.308 -2.513 20 0 CAADLO NC(=O)C(=O)NCCC[NH2+]Cc1cc(=O)n2[nH]ccc2n1 ZINC001165619437 780086033 /nfs/dbraw/zinc/08/60/33/780086033.db2.gz VGTKBPGKYSWMIP-UHFFFAOYSA-N 1 2 292.299 -1.896 20 0 CAADLO CC(C)(C)n1nnc(C[NH2+]CCCNC(=O)C(N)=O)n1 ZINC001165625313 780086791 /nfs/dbraw/zinc/08/67/91/780086791.db2.gz XWZMAFMNEPUVOO-UHFFFAOYSA-N 1 2 283.336 -1.491 20 0 CAADLO Cn1nnc(C[NH2+]CCCNC(=O)[C@]2(C)CCC(=O)N2)n1 ZINC001166088711 780090203 /nfs/dbraw/zinc/09/02/03/780090203.db2.gz GEJXXSBEMUOOGF-LBPRGKRZSA-N 1 2 295.347 -1.525 20 0 CAADLO COC[C@@H](OC)C(=O)NCCC[NH2+]Cc1nnn(C)n1 ZINC001166151208 780090419 /nfs/dbraw/zinc/09/04/19/780090419.db2.gz PGBAYHNLXJPLGA-SECBINFHSA-N 1 2 286.336 -1.533 20 0 CAADLO Cn1nnc(C[NH2+]CCCNC(=O)c2n[nH]cc2F)n1 ZINC001166121594 780090453 /nfs/dbraw/zinc/09/04/53/780090453.db2.gz UFLHXBHODTVINX-UHFFFAOYSA-N 1 2 282.283 -1.018 20 0 CAADLO Cn1nnc(C[NH2+]CCCNC(=O)[C@@]2(C)CCNC2=O)n1 ZINC001166554148 780091678 /nfs/dbraw/zinc/09/16/78/780091678.db2.gz XNQJVXVRYTVHPE-GFCCVEGCSA-N 1 2 295.347 -1.668 20 0 CAADLO C[C@H](NC(=O)[C@@]1(C)CCNC1=O)C1C[NH+](CC(N)=O)C1 ZINC001276433459 780102838 /nfs/dbraw/zinc/10/28/38/780102838.db2.gz VHRFLLRJNDSCEQ-SDBXPKJASA-N 1 2 282.344 -1.566 20 0 CAADLO CNC(=O)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)COC)C1 ZINC001205707799 780106510 /nfs/dbraw/zinc/10/65/10/780106510.db2.gz SRTUYFJUIUBNLY-RKDXNWHRSA-N 1 2 286.332 -1.475 20 0 CAADLO CNC(=O)NC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)COC)C1 ZINC001205707799 780106514 /nfs/dbraw/zinc/10/65/14/780106514.db2.gz SRTUYFJUIUBNLY-RKDXNWHRSA-N 1 2 286.332 -1.475 20 0 CAADLO COCCOCC[N@H+](C)Cc1cn(CC(N)=O)nn1 ZINC001206084346 780107745 /nfs/dbraw/zinc/10/77/45/780107745.db2.gz HDSMURRFEZUZRY-UHFFFAOYSA-N 1 2 271.321 -1.142 20 0 CAADLO COCCOCC[N@@H+](C)Cc1cn(CC(N)=O)nn1 ZINC001206084346 780107751 /nfs/dbraw/zinc/10/77/51/780107751.db2.gz HDSMURRFEZUZRY-UHFFFAOYSA-N 1 2 271.321 -1.142 20 0 CAADLO C[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1NC(=O)c1ccn[nH]1 ZINC001206066742 780108340 /nfs/dbraw/zinc/10/83/40/780108340.db2.gz ZMNWQBFFWPEKDT-VXNVDRBHSA-N 1 2 294.315 -1.345 20 0 CAADLO C[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1NC(=O)c1ccn[nH]1 ZINC001206066742 780108348 /nfs/dbraw/zinc/10/83/48/780108348.db2.gz ZMNWQBFFWPEKDT-VXNVDRBHSA-N 1 2 294.315 -1.345 20 0 CAADLO C[C@@H]1C[N@H+](CCO)C[C@H]1NC(=O)CS(C)(=O)=O ZINC001206386995 780110558 /nfs/dbraw/zinc/11/05/58/780110558.db2.gz OQYMHXRXWYDYLM-RKDXNWHRSA-N 1 2 264.347 -1.540 20 0 CAADLO C[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)CS(C)(=O)=O ZINC001206386995 780110565 /nfs/dbraw/zinc/11/05/65/780110565.db2.gz OQYMHXRXWYDYLM-RKDXNWHRSA-N 1 2 264.347 -1.540 20 0 CAADLO C[C@@H]1C[N@H+](Cc2cn(C)nn2)C[C@H]1NC(=O)CC(N)=O ZINC001206753642 780111736 /nfs/dbraw/zinc/11/17/36/780111736.db2.gz ZZDSCMGHUYCIBT-PSASIEDQSA-N 1 2 280.332 -1.373 20 0 CAADLO C[C@@H]1C[N@@H+](Cc2cn(C)nn2)C[C@H]1NC(=O)CC(N)=O ZINC001206753642 780111738 /nfs/dbraw/zinc/11/17/38/780111738.db2.gz ZZDSCMGHUYCIBT-PSASIEDQSA-N 1 2 280.332 -1.373 20 0 CAADLO NC(=O)C[NH2+]CC1CCN(C(=O)Cc2ncn[nH]2)CC1 ZINC001206850712 780111776 /nfs/dbraw/zinc/11/17/76/780111776.db2.gz IXGHNPWAWAQKPE-UHFFFAOYSA-N 1 2 280.332 -1.339 20 0 CAADLO CNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCc2nnc[nH]2)C1 ZINC001206800494 780111958 /nfs/dbraw/zinc/11/19/58/780111958.db2.gz YDYPPKIKODQLFF-NXEZZACHSA-N 1 2 294.359 -1.080 20 0 CAADLO CNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CCc2nnc[nH]2)C1 ZINC001206800494 780111962 /nfs/dbraw/zinc/11/19/62/780111962.db2.gz YDYPPKIKODQLFF-NXEZZACHSA-N 1 2 294.359 -1.080 20 0 CAADLO CNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCc2nc[nH]n2)C1 ZINC001206800494 780111968 /nfs/dbraw/zinc/11/19/68/780111968.db2.gz YDYPPKIKODQLFF-NXEZZACHSA-N 1 2 294.359 -1.080 20 0 CAADLO CNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CCc2nc[nH]n2)C1 ZINC001206800494 780111973 /nfs/dbraw/zinc/11/19/73/780111973.db2.gz YDYPPKIKODQLFF-NXEZZACHSA-N 1 2 294.359 -1.080 20 0 CAADLO C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1NC(=O)CCc1nnc[nH]1 ZINC001206849263 780112512 /nfs/dbraw/zinc/11/25/12/780112512.db2.gz HLGVUYHSYTWVOS-RKDXNWHRSA-N 1 2 280.332 -1.341 20 0 CAADLO C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1NC(=O)CCc1nnc[nH]1 ZINC001206849263 780112520 /nfs/dbraw/zinc/11/25/20/780112520.db2.gz HLGVUYHSYTWVOS-RKDXNWHRSA-N 1 2 280.332 -1.341 20 0 CAADLO C[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1NC(=O)c1ncc[nH]1 ZINC001206934075 780114662 /nfs/dbraw/zinc/11/46/62/780114662.db2.gz TZKSSJTYBCDVPZ-HTQZYQBOSA-N 1 2 294.315 -1.345 20 0 CAADLO C[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1NC(=O)c1ncc[nH]1 ZINC001206934075 780114668 /nfs/dbraw/zinc/11/46/68/780114668.db2.gz TZKSSJTYBCDVPZ-HTQZYQBOSA-N 1 2 294.315 -1.345 20 0 CAADLO CC[C@]1(C(=O)N[C@@H]2C[N@H+](CC(N)=O)C[C@H]2C)CCNC1=O ZINC001207609810 780118498 /nfs/dbraw/zinc/11/84/98/780118498.db2.gz KMSWNZUVJRQVGM-RULNRJAQSA-N 1 2 296.371 -1.176 20 0 CAADLO CC[C@]1(C(=O)N[C@@H]2C[N@@H+](CC(N)=O)C[C@H]2C)CCNC1=O ZINC001207609810 780118503 /nfs/dbraw/zinc/11/85/03/780118503.db2.gz KMSWNZUVJRQVGM-RULNRJAQSA-N 1 2 296.371 -1.176 20 0 CAADLO O=c1[nH]ccn2c(C[NH2+]C3COCCOC3)nnc12 ZINC001207580522 780119621 /nfs/dbraw/zinc/11/96/21/780119621.db2.gz IZILDSPHEFOORT-UHFFFAOYSA-N 1 2 265.273 -1.077 20 0 CAADLO CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)[C@@H]1CCC(=O)N1 ZINC000088659907 780123988 /nfs/dbraw/zinc/12/39/88/780123988.db2.gz KWFYIQXLYLNPHQ-IUCAKERBSA-N 1 2 269.301 -1.372 20 0 CAADLO C[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1NC(=O)c1cnco1 ZINC001208242398 780124834 /nfs/dbraw/zinc/12/48/34/780124834.db2.gz JACUVZBMEDUPQI-HTQZYQBOSA-N 1 2 295.299 -1.080 20 0 CAADLO C[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1NC(=O)c1cnco1 ZINC001208242398 780124842 /nfs/dbraw/zinc/12/48/42/780124842.db2.gz JACUVZBMEDUPQI-HTQZYQBOSA-N 1 2 295.299 -1.080 20 0 CAADLO CCNC(=O)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(N)=O)C1 ZINC001208450188 780126116 /nfs/dbraw/zinc/12/61/16/780126116.db2.gz OYXQHUFEQUGVIH-HTQZYQBOSA-N 1 2 299.331 -2.246 20 0 CAADLO CCNC(=O)NC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C(N)=O)C1 ZINC001208450188 780126123 /nfs/dbraw/zinc/12/61/23/780126123.db2.gz OYXQHUFEQUGVIH-HTQZYQBOSA-N 1 2 299.331 -2.246 20 0 CAADLO C[C@@H]1C[N@H+](CCCS(C)(=O)=O)C[C@H]1NC(=O)C(N)=O ZINC001208455501 780126653 /nfs/dbraw/zinc/12/66/53/780126653.db2.gz RTWWKSRNAMVENN-RKDXNWHRSA-N 1 2 291.373 -1.657 20 0 CAADLO C[C@@H]1C[N@@H+](CCCS(C)(=O)=O)C[C@H]1NC(=O)C(N)=O ZINC001208455501 780126658 /nfs/dbraw/zinc/12/66/58/780126658.db2.gz RTWWKSRNAMVENN-RKDXNWHRSA-N 1 2 291.373 -1.657 20 0 CAADLO CNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(N)=O)C1 ZINC001208455350 780127089 /nfs/dbraw/zinc/12/70/89/780127089.db2.gz LWWBSTTZWODVRM-GJMOJQLCSA-N 1 2 299.331 -2.248 20 0 CAADLO CNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)C(N)=O)C1 ZINC001208455350 780127097 /nfs/dbraw/zinc/12/70/97/780127097.db2.gz LWWBSTTZWODVRM-GJMOJQLCSA-N 1 2 299.331 -2.248 20 0 CAADLO CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(N)=O)C1 ZINC001208450530 780127115 /nfs/dbraw/zinc/12/71/15/780127115.db2.gz WHXZIHMTCBTJIT-HTQZYQBOSA-N 1 2 256.306 -1.956 20 0 CAADLO CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C(N)=O)C1 ZINC001208450530 780127121 /nfs/dbraw/zinc/12/71/21/780127121.db2.gz WHXZIHMTCBTJIT-HTQZYQBOSA-N 1 2 256.306 -1.956 20 0 CAADLO C[C@@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(N)=O)C1 ZINC001208455521 780127248 /nfs/dbraw/zinc/12/72/48/780127248.db2.gz SSUBXXHOOHYEBD-DSYKOEDSSA-N 1 2 285.304 -2.508 20 0 CAADLO C[C@@H](C(=O)NC(N)=O)[N@H+]1C[C@@H](C)[C@H](NC(=O)C(N)=O)C1 ZINC001208455521 780127254 /nfs/dbraw/zinc/12/72/54/780127254.db2.gz SSUBXXHOOHYEBD-DSYKOEDSSA-N 1 2 285.304 -2.508 20 0 CAADLO CC[C@@H](C)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(N)=O)C1 ZINC001208450255 780127353 /nfs/dbraw/zinc/12/73/53/780127353.db2.gz QSXQNBSLCWLBHO-OPRDCNLKSA-N 1 2 284.360 -1.177 20 0 CAADLO CC[C@@H](C)NC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C(N)=O)C1 ZINC001208450255 780127360 /nfs/dbraw/zinc/12/73/60/780127360.db2.gz QSXQNBSLCWLBHO-OPRDCNLKSA-N 1 2 284.360 -1.177 20 0 CAADLO C[C@@H]1C[N@H+](CC(=O)NCC2CCC2)C[C@H]1NC(=O)C(N)=O ZINC001208450495 780127373 /nfs/dbraw/zinc/12/73/73/780127373.db2.gz UHAKADIKJQTCMO-MWLCHTKSSA-N 1 2 296.371 -1.176 20 0 CAADLO C[C@@H]1C[N@@H+](CC(=O)NCC2CCC2)C[C@H]1NC(=O)C(N)=O ZINC001208450495 780127383 /nfs/dbraw/zinc/12/73/83/780127383.db2.gz UHAKADIKJQTCMO-MWLCHTKSSA-N 1 2 296.371 -1.176 20 0 CAADLO COC[C@H](OC)C(=O)N[C@@H]1C[N@H+](CC(N)=O)C[C@H]1C ZINC001208542231 780129187 /nfs/dbraw/zinc/12/91/87/780129187.db2.gz YEQYSBFQGLFKDI-BBBLOLIVSA-N 1 2 273.333 -1.430 20 0 CAADLO COC[C@H](OC)C(=O)N[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1C ZINC001208542231 780129192 /nfs/dbraw/zinc/12/91/92/780129192.db2.gz YEQYSBFQGLFKDI-BBBLOLIVSA-N 1 2 273.333 -1.430 20 0 CAADLO C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1NC(=O)CCc1cn[nH]n1 ZINC001208763901 780130479 /nfs/dbraw/zinc/13/04/79/780130479.db2.gz TXBFUQFCUGPFIH-PSASIEDQSA-N 1 2 280.332 -1.341 20 0 CAADLO C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1NC(=O)CCc1cn[nH]n1 ZINC001208763901 780130485 /nfs/dbraw/zinc/13/04/85/780130485.db2.gz TXBFUQFCUGPFIH-PSASIEDQSA-N 1 2 280.332 -1.341 20 0 CAADLO CNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCc2cn[nH]n2)C1 ZINC001208721675 780130523 /nfs/dbraw/zinc/13/05/23/780130523.db2.gz IBFQZUHYGSVCPM-MWLCHTKSSA-N 1 2 294.359 -1.080 20 0 CAADLO CNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CCc2cn[nH]n2)C1 ZINC001208721675 780130526 /nfs/dbraw/zinc/13/05/26/780130526.db2.gz IBFQZUHYGSVCPM-MWLCHTKSSA-N 1 2 294.359 -1.080 20 0 CAADLO CNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCc2c[nH]nn2)C1 ZINC001208721675 780130530 /nfs/dbraw/zinc/13/05/30/780130530.db2.gz IBFQZUHYGSVCPM-MWLCHTKSSA-N 1 2 294.359 -1.080 20 0 CAADLO CNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CCc2c[nH]nn2)C1 ZINC001208721675 780130532 /nfs/dbraw/zinc/13/05/32/780130532.db2.gz IBFQZUHYGSVCPM-MWLCHTKSSA-N 1 2 294.359 -1.080 20 0 CAADLO CNC(=O)C[N@H+](C)C[C@@H]1OC(C)(C)O[C@@H]1[C@H](O)CO ZINC001209271093 780131664 /nfs/dbraw/zinc/13/16/64/780131664.db2.gz QXEYWYRHVHNOQR-WCABBAIRSA-N 1 2 276.333 -1.463 20 0 CAADLO CNC(=O)C[N@@H+](C)C[C@@H]1OC(C)(C)O[C@@H]1[C@H](O)CO ZINC001209271093 780131670 /nfs/dbraw/zinc/13/16/70/780131670.db2.gz QXEYWYRHVHNOQR-WCABBAIRSA-N 1 2 276.333 -1.463 20 0 CAADLO NC(=O)CN1CC[NH+](CCN2CCOCC2)CC1 ZINC001209293155 780131945 /nfs/dbraw/zinc/13/19/45/780131945.db2.gz GPMAMGRRCSKNDN-UHFFFAOYSA-N 1 2 256.350 -1.579 20 0 CAADLO COCCO[C@@H](C)C(=O)N[C@@H]1C[N@H+](CC(N)=O)C[C@H]1C ZINC001209106619 780132109 /nfs/dbraw/zinc/13/21/09/780132109.db2.gz KYMALINMGKLOIM-OUAUKWLOSA-N 1 2 287.360 -1.040 20 0 CAADLO COCCO[C@@H](C)C(=O)N[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1C ZINC001209106619 780132110 /nfs/dbraw/zinc/13/21/10/780132110.db2.gz KYMALINMGKLOIM-OUAUKWLOSA-N 1 2 287.360 -1.040 20 0 CAADLO CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cc2nnc[nH]2)C1 ZINC001210185933 780137274 /nfs/dbraw/zinc/13/72/74/780137274.db2.gz BPWUHMXBIHDDLB-NXEZZACHSA-N 1 2 294.359 -1.080 20 0 CAADLO CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)Cc2nnc[nH]2)C1 ZINC001210185933 780137277 /nfs/dbraw/zinc/13/72/77/780137277.db2.gz BPWUHMXBIHDDLB-NXEZZACHSA-N 1 2 294.359 -1.080 20 0 CAADLO CO[C@@H]1C[N@H+](CCOCC(F)F)C[C@H]1NC(=O)C(N)=O ZINC001213353144 780144426 /nfs/dbraw/zinc/14/44/26/780144426.db2.gz SBWIXRIKYXYIDW-HTQZYQBOSA-N 1 2 295.286 -1.431 20 0 CAADLO CO[C@@H]1C[N@@H+](CCOCC(F)F)C[C@H]1NC(=O)C(N)=O ZINC001213353144 780144429 /nfs/dbraw/zinc/14/44/29/780144429.db2.gz SBWIXRIKYXYIDW-HTQZYQBOSA-N 1 2 295.286 -1.431 20 0 CAADLO CO[C@@H]1C[N@H+](CCF)C[C@H]1NC(=O)CCn1cnnn1 ZINC001213618028 780146802 /nfs/dbraw/zinc/14/68/02/780146802.db2.gz KJDXVDWOJVYGNK-NXEZZACHSA-N 1 2 286.311 -1.152 20 0 CAADLO CO[C@@H]1C[N@@H+](CCF)C[C@H]1NC(=O)CCn1cnnn1 ZINC001213618028 780146808 /nfs/dbraw/zinc/14/68/08/780146808.db2.gz KJDXVDWOJVYGNK-NXEZZACHSA-N 1 2 286.311 -1.152 20 0 CAADLO CC(=O)N[C@@H]1C[N@H+](C[C@H](C)CS(C)(=O)=O)C[C@@H]1O ZINC001219078506 780185776 /nfs/dbraw/zinc/18/57/76/780185776.db2.gz BSHCUFUFVVJQDF-GDPRMGEGSA-N 1 2 278.374 -1.152 20 0 CAADLO CC(=O)N[C@@H]1C[N@@H+](C[C@H](C)CS(C)(=O)=O)C[C@@H]1O ZINC001219078506 780185783 /nfs/dbraw/zinc/18/57/83/780185783.db2.gz BSHCUFUFVVJQDF-GDPRMGEGSA-N 1 2 278.374 -1.152 20 0 CAADLO CC(=O)NCC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nnn(C)n2)C1 ZINC001214058966 780148477 /nfs/dbraw/zinc/14/84/77/780148477.db2.gz MQQIKXJBYDPBJW-PSASIEDQSA-N 1 2 295.347 -1.717 20 0 CAADLO C[C@@H](c1nnnn1C)[N@H+]1C[C@@H]2[C@@H](CNC(=O)C(N)=O)[C@@H]2C1 ZINC001276708035 780149272 /nfs/dbraw/zinc/14/92/72/780149272.db2.gz LYDNJFCBQVZUKA-XSPKLOCKSA-N 1 2 293.331 -1.950 20 0 CAADLO C[C@@H](c1nnnn1C)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C(N)=O)[C@@H]2C1 ZINC001276708035 780149278 /nfs/dbraw/zinc/14/92/78/780149278.db2.gz LYDNJFCBQVZUKA-XSPKLOCKSA-N 1 2 293.331 -1.950 20 0 CAADLO Cc1noc(C[NH2+][C@@H]2CN(C(=O)CNC(N)=O)C[C@H]2C)n1 ZINC001214120694 780150039 /nfs/dbraw/zinc/15/00/39/780150039.db2.gz PWWYVWGLZZSCLZ-VXNVDRBHSA-N 1 2 296.331 -1.017 20 0 CAADLO CNC(=O)C[NH2+][C@@H]1CN(C(=O)Cc2ncn[nH]2)C[C@H]1C ZINC001216310691 780157943 /nfs/dbraw/zinc/15/79/43/780157943.db2.gz XDGVGXSCTDOMSU-RKDXNWHRSA-N 1 2 280.332 -1.470 20 0 CAADLO CNC(=O)NC(=O)[C@@H](C)[N@@H+]1C[C@H]2OCCN(C(C)=O)[C@H]2C1 ZINC001217152184 780158968 /nfs/dbraw/zinc/15/89/68/780158968.db2.gz CWKGUSVULLKBHC-DVVUODLYSA-N 1 2 298.343 -1.238 20 0 CAADLO CNC(=O)NC(=O)[C@@H](C)[N@H+]1C[C@H]2OCCN(C(C)=O)[C@H]2C1 ZINC001217152184 780158972 /nfs/dbraw/zinc/15/89/72/780158972.db2.gz CWKGUSVULLKBHC-DVVUODLYSA-N 1 2 298.343 -1.238 20 0 CAADLO CC(=O)N1CCO[C@@H]2C[N@H+](CCNS(C)(=O)=O)C[C@@H]21 ZINC001217146334 780159289 /nfs/dbraw/zinc/15/92/89/780159289.db2.gz MOQOMDIYRJBOLO-WDEREUQCSA-N 1 2 291.373 -1.533 20 0 CAADLO CC(=O)N1CCO[C@@H]2C[N@@H+](CCNS(C)(=O)=O)C[C@@H]21 ZINC001217146334 780159293 /nfs/dbraw/zinc/15/92/93/780159293.db2.gz MOQOMDIYRJBOLO-WDEREUQCSA-N 1 2 291.373 -1.533 20 0 CAADLO O=c1cc(C[N@H+]2C[C@@H](O)C[C@H]2CO)nc2cc[nH]n21 ZINC000186526241 780159598 /nfs/dbraw/zinc/15/95/98/780159598.db2.gz KLSJABSGTDFZAJ-UWVGGRQHSA-N 1 2 264.285 -1.050 20 0 CAADLO O=c1cc(C[N@@H+]2C[C@@H](O)C[C@H]2CO)nc2cc[nH]n21 ZINC000186526241 780159603 /nfs/dbraw/zinc/15/96/03/780159603.db2.gz KLSJABSGTDFZAJ-UWVGGRQHSA-N 1 2 264.285 -1.050 20 0 CAADLO CC(=O)N1CCO[C@@H]2C[N@@H+]([C@H](C)C(=O)NC(N)=O)C[C@@H]21 ZINC001217152530 780159664 /nfs/dbraw/zinc/15/96/64/780159664.db2.gz JIDHZJMTMGKEHO-FKTZTGRPSA-N 1 2 284.316 -1.499 20 0 CAADLO CC(=O)N1CCO[C@@H]2C[N@H+]([C@H](C)C(=O)NC(N)=O)C[C@@H]21 ZINC001217152530 780159667 /nfs/dbraw/zinc/15/96/67/780159667.db2.gz JIDHZJMTMGKEHO-FKTZTGRPSA-N 1 2 284.316 -1.499 20 0 CAADLO Cn1ncc(C[NH2+]CCN2CCCS2(=O)=O)n1 ZINC000405409374 780161115 /nfs/dbraw/zinc/16/11/15/780161115.db2.gz VZZPYGUUGWOMSF-UHFFFAOYSA-N 1 2 259.335 -1.060 20 0 CAADLO CCC(=O)N1CCO[C@@H]2C[N@@H+]([C@@H](C)C(=O)NC(N)=O)C[C@@H]21 ZINC001217165368 780161345 /nfs/dbraw/zinc/16/13/45/780161345.db2.gz FFFYBQBVDPAAEJ-LPEHRKFASA-N 1 2 298.343 -1.109 20 0 CAADLO CCC(=O)N1CCO[C@@H]2C[N@H+]([C@@H](C)C(=O)NC(N)=O)C[C@@H]21 ZINC001217165368 780161348 /nfs/dbraw/zinc/16/13/48/780161348.db2.gz FFFYBQBVDPAAEJ-LPEHRKFASA-N 1 2 298.343 -1.109 20 0 CAADLO CNC(=O)CC(=O)N1CCO[C@@H]2C[N@@H+]([C@@H](C)C(N)=O)C[C@@H]21 ZINC001217712848 780163117 /nfs/dbraw/zinc/16/31/17/780163117.db2.gz HQICWOSSAVWOTP-LPEHRKFASA-N 1 2 298.343 -2.092 20 0 CAADLO CNC(=O)CC(=O)N1CCO[C@@H]2C[N@H+]([C@@H](C)C(N)=O)C[C@@H]21 ZINC001217712848 780163123 /nfs/dbraw/zinc/16/31/23/780163123.db2.gz HQICWOSSAVWOTP-LPEHRKFASA-N 1 2 298.343 -2.092 20 0 CAADLO COC(=O)[C@@H]([NH3+])CC(=O)Nc1ncnc2n[nH]nc21 ZINC001218516279 780167464 /nfs/dbraw/zinc/16/74/64/780167464.db2.gz YFHBZFOKFLUVDT-BYPYZUCNSA-N 1 2 265.233 -1.423 20 0 CAADLO [NH3+][C@@H](Cc1nn[nH]n1)C(=O)Nc1[nH]nc2cccnc21 ZINC001218524233 780168981 /nfs/dbraw/zinc/16/89/81/780168981.db2.gz WJSXVDKYRYOBML-YFKPBYRVSA-N 1 2 273.260 -1.021 20 0 CAADLO CCn1cc(NC(=O)[C@@H]([NH3+])Cc2nn[nH]n2)cn1 ZINC001218544923 780169357 /nfs/dbraw/zinc/16/93/57/780169357.db2.gz NOVKHBHVZVAKSG-ZETCQYMHSA-N 1 2 250.266 -1.075 20 0 CAADLO COC(=O)[C@@H]([NH3+])CC(=O)Nc1c[nH]nc1C(N)=O ZINC001218563873 780170377 /nfs/dbraw/zinc/17/03/77/780170377.db2.gz FNNYCEUGOUZRGH-BYPYZUCNSA-N 1 2 255.234 -1.663 20 0 CAADLO [NH3+][C@@H](Cc1nn[nH]n1)C(=O)Nc1ncnn2cccc12 ZINC001218564853 780170590 /nfs/dbraw/zinc/17/05/90/780170590.db2.gz KVSBKRPIALOMNP-LURJTMIESA-N 1 2 273.260 -1.827 20 0 CAADLO COC(=O)[C@@H]([NH3+])CCC(=O)Nc1c(N)c(=O)c1=O ZINC001218588898 780173337 /nfs/dbraw/zinc/17/33/37/780173337.db2.gz PHMKGPWDHFBUFC-BYPYZUCNSA-N 1 2 255.230 -1.916 20 0 CAADLO [NH3+][C@@H](Cc1nn[nH]n1)C(=O)Nc1cnc2n[nH]cc2c1 ZINC001218614720 780174561 /nfs/dbraw/zinc/17/45/61/780174561.db2.gz MUTWOOOBLXFDNY-ZETCQYMHSA-N 1 2 273.260 -1.021 20 0 CAADLO COC(=O)Cn1cc(NC(=O)[C@@H]([NH3+])Cc2nn[nH]n2)cn1 ZINC001218609460 780174861 /nfs/dbraw/zinc/17/48/61/780174861.db2.gz DQICSZGIIXLMDT-ZETCQYMHSA-N 1 2 294.275 -1.922 20 0 CAADLO COC(=O)Cn1cc(NC(=O)C[C@H]([NH3+])C(=O)OC)cn1 ZINC001218610573 780175028 /nfs/dbraw/zinc/17/50/28/780175028.db2.gz QMRJFIOITYCROW-QMMMGPOBSA-N 1 2 284.272 -1.115 20 0 CAADLO N=c1c(N)cnc(Cl)n1C(=O)[C@@H]([NH3+])Cc1nn[nH]n1 ZINC001218622806 780177172 /nfs/dbraw/zinc/17/71/72/780177172.db2.gz WFBQVPFJGXCBTK-VKHMYHEASA-N 1 2 283.683 -1.679 20 0 CAADLO COC(=O)c1cc(NC(=O)[C@@H]([NH3+])Cc2nn[nH]n2)cn1C ZINC001218632371 780177936 /nfs/dbraw/zinc/17/79/36/780177936.db2.gz VOPWXQHTDFPRQD-ZETCQYMHSA-N 1 2 293.287 -1.167 20 0 CAADLO COc1ncnc(NC(=O)[C@@H]([NH3+])Cc2nn[nH]n2)c1OC ZINC001218652085 780178046 /nfs/dbraw/zinc/17/80/46/780178046.db2.gz BPWBNZUNUBEZAV-YFKPBYRVSA-N 1 2 294.275 -1.485 20 0 CAADLO Cc1nc(Cl)c(N)c(=N)n1C(=O)[C@@H]([NH3+])Cc1nn[nH]n1 ZINC001218641594 780178968 /nfs/dbraw/zinc/17/89/68/780178968.db2.gz GJJDRVXIOIBCNZ-BYPYZUCNSA-N 1 2 297.710 -1.370 20 0 CAADLO Cc1cc(NC(=O)[C@@H]([NH3+])Cc2nn[nH]n2)cc(=O)o1 ZINC001218681406 780181251 /nfs/dbraw/zinc/18/12/51/780181251.db2.gz DHCQTIQHQUCACE-ZETCQYMHSA-N 1 2 264.245 -1.030 20 0 CAADLO O=C(NC1C(=O)N=CN=C1[O-])[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001218701925 780181313 /nfs/dbraw/zinc/18/13/13/780181313.db2.gz GFCQHDAVUSFERX-KSBSHMNSSA-N 1 2 265.273 -1.222 20 0 CAADLO O=C(NC1C(=O)N=CN=C1[O-])[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001218701927 780181808 /nfs/dbraw/zinc/18/18/08/780181808.db2.gz GFCQHDAVUSFERX-UPONEAKYSA-N 1 2 265.273 -1.222 20 0 CAADLO Cc1cc(=O)c(N)c(C)n1C(=O)[C@@H]([NH3+])Cc1nn[nH]n1 ZINC001218719056 780182637 /nfs/dbraw/zinc/18/26/37/780182637.db2.gz VZADRZSONIZBIR-ZETCQYMHSA-N 1 2 277.288 -1.229 20 0 CAADLO C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)Nc1cc(N(C)C)[nH]n1 ZINC001218743597 780183316 /nfs/dbraw/zinc/18/33/16/780183316.db2.gz UZYOROGYVAYYBN-BQBZGAKWSA-N 1 2 284.320 -1.762 20 0 CAADLO Cc1cnn(CCO)c1NC(=O)[C@@H]([NH3+])Cc1nn[nH]n1 ZINC001218753907 780184185 /nfs/dbraw/zinc/18/41/85/780184185.db2.gz LCKHSRBGQSHOBL-ZETCQYMHSA-N 1 2 280.292 -1.795 20 0 CAADLO CCC(=O)N[C@@H]1C[N@H+](CCN(C)S(C)(=O)=O)C[C@@H]1O ZINC001219077364 780185997 /nfs/dbraw/zinc/18/59/97/780185997.db2.gz UWADUXNOSSSACM-ZJUUUORDSA-N 1 2 293.389 -1.551 20 0 CAADLO CCC(=O)N[C@@H]1C[N@@H+](CCN(C)S(C)(=O)=O)C[C@@H]1O ZINC001219077364 780186003 /nfs/dbraw/zinc/18/60/03/780186003.db2.gz UWADUXNOSSSACM-ZJUUUORDSA-N 1 2 293.389 -1.551 20 0 CAADLO CCCS(=O)(=O)CC[N@@H+]1CC[C@@](O)(C(N)=O)C1 ZINC000310300493 780186081 /nfs/dbraw/zinc/18/60/81/780186081.db2.gz QEXICVSKBRHQPB-JTQLQIEISA-N 1 2 264.347 -1.267 20 0 CAADLO CCCS(=O)(=O)CC[N@H+]1CC[C@@](O)(C(N)=O)C1 ZINC000310300493 780186089 /nfs/dbraw/zinc/18/60/89/780186089.db2.gz QEXICVSKBRHQPB-JTQLQIEISA-N 1 2 264.347 -1.267 20 0 CAADLO [NH3+]CC[C@H]([NH3+])C(=O)Nc1ccc2c(c1)S(=O)(=O)[N-]C2=O ZINC001218961821 780186233 /nfs/dbraw/zinc/18/62/33/780186233.db2.gz DGLKYJKJZKFYLO-QMMMGPOBSA-N 1 2 298.324 -1.267 20 0 CAADLO COCCC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)NC2CC2)C[C@@H]1O ZINC001219081031 780187351 /nfs/dbraw/zinc/18/73/51/780187351.db2.gz WYUZCDFWHNPZHO-JLLWLGSASA-N 1 2 299.371 -1.149 20 0 CAADLO COCCC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)NC2CC2)C[C@@H]1O ZINC001219081031 780187356 /nfs/dbraw/zinc/18/73/56/780187356.db2.gz WYUZCDFWHNPZHO-JLLWLGSASA-N 1 2 299.371 -1.149 20 0 CAADLO CC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)NC(=O)NC2CC2)C[C@@H]1O ZINC001219078648 780187369 /nfs/dbraw/zinc/18/73/69/780187369.db2.gz GWFYEHWNTHIAGS-XROYCOCOSA-N 1 2 298.343 -1.456 20 0 CAADLO CC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC(=O)NC2CC2)C[C@@H]1O ZINC001219078648 780187374 /nfs/dbraw/zinc/18/73/74/780187374.db2.gz GWFYEHWNTHIAGS-XROYCOCOSA-N 1 2 298.343 -1.456 20 0 CAADLO CC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)NC(N)=O)C[C@@H]1O ZINC001219078807 780187856 /nfs/dbraw/zinc/18/78/56/780187856.db2.gz JMPJMYBMJDOPTH-ARDNSNSESA-N 1 2 258.278 -2.249 20 0 CAADLO CC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC(N)=O)C[C@@H]1O ZINC001219078807 780187859 /nfs/dbraw/zinc/18/78/59/780187859.db2.gz JMPJMYBMJDOPTH-ARDNSNSESA-N 1 2 258.278 -2.249 20 0 CAADLO COCCCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(C)=O)[C@@H](O)C1 ZINC001219079179 780188299 /nfs/dbraw/zinc/18/82/99/780188299.db2.gz RBLGPLPPKVIDAZ-JLLWLGSASA-N 1 2 287.360 -1.291 20 0 CAADLO COCCCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(C)=O)[C@@H](O)C1 ZINC001219079179 780188301 /nfs/dbraw/zinc/18/83/01/780188301.db2.gz RBLGPLPPKVIDAZ-JLLWLGSASA-N 1 2 287.360 -1.291 20 0 CAADLO COCC(=O)N[C@@H]1C[N@H+](CC(=O)N(C)C2CC2)C[C@@H]1O ZINC001219085950 780188861 /nfs/dbraw/zinc/18/88/61/780188861.db2.gz IVZXVKLTABJSAY-MNOVXSKESA-N 1 2 285.344 -1.585 20 0 CAADLO COCC(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)C2CC2)C[C@@H]1O ZINC001219085950 780188864 /nfs/dbraw/zinc/18/88/64/780188864.db2.gz IVZXVKLTABJSAY-MNOVXSKESA-N 1 2 285.344 -1.585 20 0 CAADLO COCC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCCC2)C[C@@H]1O ZINC001219086066 780188888 /nfs/dbraw/zinc/18/88/88/780188888.db2.gz MTUXLEJPJDUVIE-MNOVXSKESA-N 1 2 285.344 -1.584 20 0 CAADLO COCC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCCC2)C[C@@H]1O ZINC001219086066 780188890 /nfs/dbraw/zinc/18/88/90/780188890.db2.gz MTUXLEJPJDUVIE-MNOVXSKESA-N 1 2 285.344 -1.584 20 0 CAADLO C[C@@H](C(=O)NC(N)=O)[N@H+]1C[C@@H](NC(=O)C2CC2)[C@@H](O)C1 ZINC001219086401 780188936 /nfs/dbraw/zinc/18/89/36/780188936.db2.gz YVBCNDDQKYNTOH-ZQARSLAVSA-N 1 2 284.316 -1.859 20 0 CAADLO C[C@@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H](NC(=O)C2CC2)[C@@H](O)C1 ZINC001219086401 780188942 /nfs/dbraw/zinc/18/89/42/780188942.db2.gz YVBCNDDQKYNTOH-ZQARSLAVSA-N 1 2 284.316 -1.859 20 0 CAADLO COCC(=O)N[C@@H]1C[N@@H+]([C@H]2CCN(C(C)C)C2=O)C[C@@H]1O ZINC001219084151 780188984 /nfs/dbraw/zinc/18/89/84/780188984.db2.gz VILKUHAXLSGCGJ-WOPDTQHZSA-N 1 2 299.371 -1.197 20 0 CAADLO COCC(=O)N[C@@H]1C[N@H+]([C@H]2CCN(C(C)C)C2=O)C[C@@H]1O ZINC001219084151 780188989 /nfs/dbraw/zinc/18/89/89/780188989.db2.gz VILKUHAXLSGCGJ-WOPDTQHZSA-N 1 2 299.371 -1.197 20 0 CAADLO C[C@H](C(=O)NC(N)=O)[N@H+]1C[C@@H](NC(=O)C2CC2)[C@@H](O)C1 ZINC001219086400 780189284 /nfs/dbraw/zinc/18/92/84/780189284.db2.gz YVBCNDDQKYNTOH-VDAHYXPESA-N 1 2 284.316 -1.859 20 0 CAADLO C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H](NC(=O)C2CC2)[C@@H](O)C1 ZINC001219086400 780189288 /nfs/dbraw/zinc/18/92/88/780189288.db2.gz YVBCNDDQKYNTOH-VDAHYXPESA-N 1 2 284.316 -1.859 20 0 CAADLO CCCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)COC)[C@@H](O)C1 ZINC001219086253 780189323 /nfs/dbraw/zinc/18/93/23/780189323.db2.gz UGEVDMRPNHNYRE-AXFHLTTASA-N 1 2 287.360 -1.291 20 0 CAADLO CCCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)COC)[C@@H](O)C1 ZINC001219086253 780189329 /nfs/dbraw/zinc/18/93/29/780189329.db2.gz UGEVDMRPNHNYRE-AXFHLTTASA-N 1 2 287.360 -1.291 20 0 CAADLO CC[C@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)COC)[C@@H](O)C1 ZINC001219084070 780189427 /nfs/dbraw/zinc/18/94/27/780189427.db2.gz SWNRXNPLVGUEAJ-HLTSFMKQSA-N 1 2 259.306 -1.942 20 0 CAADLO CC[C@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)COC)[C@@H](O)C1 ZINC001219084070 780189431 /nfs/dbraw/zinc/18/94/31/780189431.db2.gz SWNRXNPLVGUEAJ-HLTSFMKQSA-N 1 2 259.306 -1.942 20 0 CAADLO COCCC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@@H]1O ZINC001219083674 780189565 /nfs/dbraw/zinc/18/95/65/780189565.db2.gz HAVOKOSJXDNMNM-BBBLOLIVSA-N 1 2 271.317 -1.927 20 0 CAADLO COCCC(=O)N[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@@H]1O ZINC001219083674 780189569 /nfs/dbraw/zinc/18/95/69/780189569.db2.gz HAVOKOSJXDNMNM-BBBLOLIVSA-N 1 2 271.317 -1.927 20 0 CAADLO COCC(=O)N[C@@H]1C[N@H+](CC(=O)N(C)C(C)C)C[C@@H]1O ZINC001219091020 780189580 /nfs/dbraw/zinc/18/95/80/780189580.db2.gz BPOVYEQZYPHNCG-MNOVXSKESA-N 1 2 287.360 -1.339 20 0 CAADLO COCC(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)C(C)C)C[C@@H]1O ZINC001219091020 780189582 /nfs/dbraw/zinc/18/95/82/780189582.db2.gz BPOVYEQZYPHNCG-MNOVXSKESA-N 1 2 287.360 -1.339 20 0 CAADLO CCN(C(=O)C[N@H+]1C[C@@H](NC(=O)COC)[C@@H](O)C1)C1CC1 ZINC001219083600 780190025 /nfs/dbraw/zinc/19/00/25/780190025.db2.gz COHPIOBSWRDPDP-NEPJUHHUSA-N 1 2 299.371 -1.195 20 0 CAADLO CCN(C(=O)C[N@@H+]1C[C@@H](NC(=O)COC)[C@@H](O)C1)C1CC1 ZINC001219083600 780190029 /nfs/dbraw/zinc/19/00/29/780190029.db2.gz COHPIOBSWRDPDP-NEPJUHHUSA-N 1 2 299.371 -1.195 20 0 CAADLO COCCC(=O)N[C@@H]1C[N@@H+]([C@H]2CCN(C)C2=O)C[C@@H]1O ZINC001219094894 780190472 /nfs/dbraw/zinc/19/04/72/780190472.db2.gz BFYUEUUZGWGCKD-VWYCJHECSA-N 1 2 285.344 -1.585 20 0 CAADLO COCCC(=O)N[C@@H]1C[N@H+]([C@H]2CCN(C)C2=O)C[C@@H]1O ZINC001219094894 780190480 /nfs/dbraw/zinc/19/04/80/780190480.db2.gz BFYUEUUZGWGCKD-VWYCJHECSA-N 1 2 285.344 -1.585 20 0 CAADLO COCC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)N(C)C)C[C@@H]1O ZINC001219093404 780190578 /nfs/dbraw/zinc/19/05/78/780190578.db2.gz VFZRMCAJZDYBCD-BBBLOLIVSA-N 1 2 273.333 -1.729 20 0 CAADLO COCC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)N(C)C)C[C@@H]1O ZINC001219093404 780190584 /nfs/dbraw/zinc/19/05/84/780190584.db2.gz VFZRMCAJZDYBCD-BBBLOLIVSA-N 1 2 273.333 -1.729 20 0 CAADLO CNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)CCOC)[C@@H](O)C1 ZINC001219095788 780190640 /nfs/dbraw/zinc/19/06/40/780190640.db2.gz XAWBWOLHHKQAEA-AEJSXWLSSA-N 1 2 273.333 -1.681 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)CCOC)[C@@H](O)C1 ZINC001219095788 780190644 /nfs/dbraw/zinc/19/06/44/780190644.db2.gz XAWBWOLHHKQAEA-AEJSXWLSSA-N 1 2 273.333 -1.681 20 0 CAADLO COCC(=O)N[C@@H]1C[N@@H+]([C@H]2CCC(=O)NC2=O)C[C@@H]1O ZINC001219091471 780190718 /nfs/dbraw/zinc/19/07/18/780190718.db2.gz NTNFYJFVLMSIQL-VGMNWLOBSA-N 1 2 285.300 -2.401 20 0 CAADLO COCC(=O)N[C@@H]1C[N@H+]([C@H]2CCC(=O)NC2=O)C[C@@H]1O ZINC001219091471 780190723 /nfs/dbraw/zinc/19/07/23/780190723.db2.gz NTNFYJFVLMSIQL-VGMNWLOBSA-N 1 2 285.300 -2.401 20 0 CAADLO COCCC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCN(C)C2=O)C[C@@H]1O ZINC001219094893 780190951 /nfs/dbraw/zinc/19/09/51/780190951.db2.gz BFYUEUUZGWGCKD-MXWKQRLJSA-N 1 2 285.344 -1.585 20 0 CAADLO COCCC(=O)N[C@@H]1C[N@H+]([C@@H]2CCN(C)C2=O)C[C@@H]1O ZINC001219094893 780190954 /nfs/dbraw/zinc/19/09/54/780190954.db2.gz BFYUEUUZGWGCKD-MXWKQRLJSA-N 1 2 285.344 -1.585 20 0 CAADLO COCC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCCNC2=O)C[C@@H]1O ZINC001219091797 780191086 /nfs/dbraw/zinc/19/10/86/780191086.db2.gz UCCUTIPZSJHXOS-BBBLOLIVSA-N 1 2 271.317 -1.927 20 0 CAADLO COCC(=O)N[C@@H]1C[N@H+]([C@@H]2CCCNC2=O)C[C@@H]1O ZINC001219091797 780191089 /nfs/dbraw/zinc/19/10/89/780191089.db2.gz UCCUTIPZSJHXOS-BBBLOLIVSA-N 1 2 271.317 -1.927 20 0 CAADLO COCC(=O)N[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@@H]1O ZINC001219091990 780191124 /nfs/dbraw/zinc/19/11/24/780191124.db2.gz YKBRDRAIYAXUGL-VGMNWLOBSA-N 1 2 257.290 -2.317 20 0 CAADLO COCC(=O)N[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@@H]1O ZINC001219091990 780191125 /nfs/dbraw/zinc/19/11/25/780191125.db2.gz YKBRDRAIYAXUGL-VGMNWLOBSA-N 1 2 257.290 -2.317 20 0 CAADLO CNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)COC)[C@@H](O)C1 ZINC001219093558 780191258 /nfs/dbraw/zinc/19/12/58/780191258.db2.gz XZRWMNJOOGGURO-YIZRAAEISA-N 1 2 259.306 -2.071 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)COC)[C@@H](O)C1 ZINC001219093558 780191261 /nfs/dbraw/zinc/19/12/61/780191261.db2.gz XZRWMNJOOGGURO-YIZRAAEISA-N 1 2 259.306 -2.071 20 0 CAADLO COCC(=O)N[C@@H]1C[N@@H+]([C@H]2CCCNC2=O)C[C@@H]1O ZINC001219091798 780191298 /nfs/dbraw/zinc/19/12/98/780191298.db2.gz UCCUTIPZSJHXOS-UTLUCORTSA-N 1 2 271.317 -1.927 20 0 CAADLO COCC(=O)N[C@@H]1C[N@H+]([C@H]2CCCNC2=O)C[C@@H]1O ZINC001219091798 780191302 /nfs/dbraw/zinc/19/13/02/780191302.db2.gz UCCUTIPZSJHXOS-UTLUCORTSA-N 1 2 271.317 -1.927 20 0 CAADLO COCCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)N(C)C)C[C@@H]1O ZINC001219095844 780191313 /nfs/dbraw/zinc/19/13/13/780191313.db2.gz YYCRPPCXPRGOQC-AXFHLTTASA-N 1 2 287.360 -1.339 20 0 CAADLO COCCC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)N(C)C)C[C@@H]1O ZINC001219095844 780191316 /nfs/dbraw/zinc/19/13/16/780191316.db2.gz YYCRPPCXPRGOQC-AXFHLTTASA-N 1 2 287.360 -1.339 20 0 CAADLO CC(=O)NCC(=O)N[C@@H]1C[N@H+](CC(=O)NC2CC2)C[C@@H]1O ZINC001219105228 780191877 /nfs/dbraw/zinc/19/18/77/780191877.db2.gz SOYPBPBFXDLRKB-MNOVXSKESA-N 1 2 298.343 -2.438 20 0 CAADLO CC(=O)NCC(=O)N[C@@H]1C[N@@H+](CC(=O)NC2CC2)C[C@@H]1O ZINC001219105228 780191881 /nfs/dbraw/zinc/19/18/81/780191881.db2.gz SOYPBPBFXDLRKB-MNOVXSKESA-N 1 2 298.343 -2.438 20 0 CAADLO CC(=O)NCC(=O)N[C@@H]1C[N@H+](Cc2ccccn2)C[C@@H]1O ZINC001219104860 780191968 /nfs/dbraw/zinc/19/19/68/780191968.db2.gz GWMKMYPKNOBEIC-OLZOCXBDSA-N 1 2 292.339 -1.121 20 0 CAADLO CC(=O)NCC(=O)N[C@@H]1C[N@@H+](Cc2ccccn2)C[C@@H]1O ZINC001219104860 780191976 /nfs/dbraw/zinc/19/19/76/780191976.db2.gz GWMKMYPKNOBEIC-OLZOCXBDSA-N 1 2 292.339 -1.121 20 0 CAADLO CC(=O)NCC(=O)N[C@@H]1C[N@H+](Cc2conc2C)C[C@@H]1O ZINC001219105260 780192315 /nfs/dbraw/zinc/19/23/15/780192315.db2.gz UVWGZCGXDAUVKJ-NEPJUHHUSA-N 1 2 296.327 -1.220 20 0 CAADLO CC(=O)NCC(=O)N[C@@H]1C[N@@H+](Cc2conc2C)C[C@@H]1O ZINC001219105260 780192318 /nfs/dbraw/zinc/19/23/18/780192318.db2.gz UVWGZCGXDAUVKJ-NEPJUHHUSA-N 1 2 296.327 -1.220 20 0 CAADLO CCCC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCC(=O)NC2=O)C[C@@H]1O ZINC001219107177 780192796 /nfs/dbraw/zinc/19/27/96/780192796.db2.gz VESNOONQOMJGNZ-BBBLOLIVSA-N 1 2 283.328 -1.247 20 0 CAADLO CCCC(=O)N[C@@H]1C[N@H+]([C@@H]2CCC(=O)NC2=O)C[C@@H]1O ZINC001219107177 780192799 /nfs/dbraw/zinc/19/27/99/780192799.db2.gz VESNOONQOMJGNZ-BBBLOLIVSA-N 1 2 283.328 -1.247 20 0 CAADLO CC(=O)NCC(=O)N[C@@H]1C[N@H+](Cc2cnn(C)c2)C[C@@H]1O ZINC001219105452 780192843 /nfs/dbraw/zinc/19/28/43/780192843.db2.gz ZPTVIFWPCZNQPM-NEPJUHHUSA-N 1 2 295.343 -1.783 20 0 CAADLO CC(=O)NCC(=O)N[C@@H]1C[N@@H+](Cc2cnn(C)c2)C[C@@H]1O ZINC001219105452 780192848 /nfs/dbraw/zinc/19/28/48/780192848.db2.gz ZPTVIFWPCZNQPM-NEPJUHHUSA-N 1 2 295.343 -1.783 20 0 CAADLO CCCC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCOCC2)C[C@@H]1O ZINC001219103366 780192959 /nfs/dbraw/zinc/19/29/59/780192959.db2.gz YYUAYDNMUDDJAE-NEPJUHHUSA-N 1 2 299.371 -1.193 20 0 CAADLO CCCC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCOCC2)C[C@@H]1O ZINC001219103366 780192963 /nfs/dbraw/zinc/19/29/63/780192963.db2.gz YYUAYDNMUDDJAE-NEPJUHHUSA-N 1 2 299.371 -1.193 20 0 CAADLO COCCC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(N)=O)C[C@@H]1O ZINC001219097603 780193015 /nfs/dbraw/zinc/19/30/15/780193015.db2.gz VUYCQMASCGJFMW-HLTSFMKQSA-N 1 2 259.306 -1.942 20 0 CAADLO COCCC(=O)N[C@@H]1C[N@H+]([C@H](C)C(N)=O)C[C@@H]1O ZINC001219097603 780193017 /nfs/dbraw/zinc/19/30/17/780193017.db2.gz VUYCQMASCGJFMW-HLTSFMKQSA-N 1 2 259.306 -1.942 20 0 CAADLO CNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)CNC(C)=O)[C@@H](O)C1 ZINC001219112130 780193526 /nfs/dbraw/zinc/19/35/26/780193526.db2.gz VCKPSJJWNMKMMJ-SFGNSQDASA-N 1 2 286.332 -2.582 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)CNC(C)=O)[C@@H](O)C1 ZINC001219112130 780193528 /nfs/dbraw/zinc/19/35/28/780193528.db2.gz VCKPSJJWNMKMMJ-SFGNSQDASA-N 1 2 286.332 -2.582 20 0 CAADLO CCCC(=O)N[C@@H]1C[N@H+](CCNS(C)(=O)=O)C[C@@H]1O ZINC001219108030 780193859 /nfs/dbraw/zinc/19/38/59/780193859.db2.gz DIJVXOLJAJZYBT-ZJUUUORDSA-N 1 2 293.389 -1.503 20 0 CAADLO CCCC(=O)N[C@@H]1C[N@@H+](CCNS(C)(=O)=O)C[C@@H]1O ZINC001219108030 780193864 /nfs/dbraw/zinc/19/38/64/780193864.db2.gz DIJVXOLJAJZYBT-ZJUUUORDSA-N 1 2 293.389 -1.503 20 0 CAADLO CC(=O)NCC(=O)N[C@@H]1C[N@H+](Cc2cnc(C)o2)C[C@@H]1O ZINC001219111570 780194033 /nfs/dbraw/zinc/19/40/33/780194033.db2.gz APKXJFGHZUKXFD-NEPJUHHUSA-N 1 2 296.327 -1.220 20 0 CAADLO CC(=O)NCC(=O)N[C@@H]1C[N@@H+](Cc2cnc(C)o2)C[C@@H]1O ZINC001219111570 780194036 /nfs/dbraw/zinc/19/40/36/780194036.db2.gz APKXJFGHZUKXFD-NEPJUHHUSA-N 1 2 296.327 -1.220 20 0 CAADLO CCOCC(=O)N[C@@H]1C[N@@H+]([C@H]2CCC(=O)NC2=O)C[C@@H]1O ZINC001219143616 780194988 /nfs/dbraw/zinc/19/49/88/780194988.db2.gz RNOBSXHVSXRGMB-UTLUCORTSA-N 1 2 299.327 -2.011 20 0 CAADLO CCOCC(=O)N[C@@H]1C[N@H+]([C@H]2CCC(=O)NC2=O)C[C@@H]1O ZINC001219143616 780194991 /nfs/dbraw/zinc/19/49/91/780194991.db2.gz RNOBSXHVSXRGMB-UTLUCORTSA-N 1 2 299.327 -2.011 20 0 CAADLO CCN(C)C(=O)C[N@H+]1C[C@@H](NC(=O)[C@H]2CCCO2)[C@@H](O)C1 ZINC001219138914 780195113 /nfs/dbraw/zinc/19/51/13/780195113.db2.gz BUTXVCCXGXCYCV-GRYCIOLGSA-N 1 2 299.371 -1.195 20 0 CAADLO CCN(C)C(=O)C[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCO2)[C@@H](O)C1 ZINC001219138914 780195118 /nfs/dbraw/zinc/19/51/18/780195118.db2.gz BUTXVCCXGXCYCV-GRYCIOLGSA-N 1 2 299.371 -1.195 20 0 CAADLO CNC(=O)C[N@H+]1C[C@@H](NC(=O)C=C(C)C)[C@@H](O)C1 ZINC001219141188 780195131 /nfs/dbraw/zinc/19/51/31/780195131.db2.gz JXNMYBLZCWBMLF-ZJUUUORDSA-N 1 2 255.318 -1.140 20 0 CAADLO CNC(=O)C[N@@H+]1C[C@@H](NC(=O)C=C(C)C)[C@@H](O)C1 ZINC001219141188 780195133 /nfs/dbraw/zinc/19/51/33/780195133.db2.gz JXNMYBLZCWBMLF-ZJUUUORDSA-N 1 2 255.318 -1.140 20 0 CAADLO CC(C)=CC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(N)=O)C[C@@H]1O ZINC001219143108 780195261 /nfs/dbraw/zinc/19/52/61/780195261.db2.gz CCQRLAWQCHQFQS-AEJSXWLSSA-N 1 2 255.318 -1.012 20 0 CAADLO CC(C)=CC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(N)=O)C[C@@H]1O ZINC001219143108 780195265 /nfs/dbraw/zinc/19/52/65/780195265.db2.gz CCQRLAWQCHQFQS-AEJSXWLSSA-N 1 2 255.318 -1.012 20 0 CAADLO CC(C)=CC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCC(=O)NC2=O)C[C@@H]1O ZINC001219143633 780195757 /nfs/dbraw/zinc/19/57/57/780195757.db2.gz SIMJSDQWKSCTBW-MXWKQRLJSA-N 1 2 295.339 -1.081 20 0 CAADLO CC(C)=CC(=O)N[C@@H]1C[N@H+]([C@@H]2CCC(=O)NC2=O)C[C@@H]1O ZINC001219143633 780195765 /nfs/dbraw/zinc/19/57/65/780195765.db2.gz SIMJSDQWKSCTBW-MXWKQRLJSA-N 1 2 295.339 -1.081 20 0 CAADLO CCN(C)C(=O)C[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCO2)[C@@H](O)C1 ZINC001219138915 780195815 /nfs/dbraw/zinc/19/58/15/780195815.db2.gz BUTXVCCXGXCYCV-WOPDTQHZSA-N 1 2 299.371 -1.195 20 0 CAADLO CCN(C)C(=O)C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCO2)[C@@H](O)C1 ZINC001219138915 780195819 /nfs/dbraw/zinc/19/58/19/780195819.db2.gz BUTXVCCXGXCYCV-WOPDTQHZSA-N 1 2 299.371 -1.195 20 0 CAADLO CCOCC(=O)N[C@@H]1C[N@H+](CCNC(=O)C2CC2)C[C@@H]1O ZINC001219145372 780195965 /nfs/dbraw/zinc/19/59/65/780195965.db2.gz MJFZWRWUYCTQHT-NEPJUHHUSA-N 1 2 299.371 -1.290 20 0 CAADLO CCOCC(=O)N[C@@H]1C[N@@H+](CCNC(=O)C2CC2)C[C@@H]1O ZINC001219145372 780195970 /nfs/dbraw/zinc/19/59/70/780195970.db2.gz MJFZWRWUYCTQHT-NEPJUHHUSA-N 1 2 299.371 -1.290 20 0 CAADLO CC[C@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)CSC)[C@@H](O)C1 ZINC001219158936 780196840 /nfs/dbraw/zinc/19/68/40/780196840.db2.gz VXXCIVFDUIKRNP-HLTSFMKQSA-N 1 2 275.374 -1.225 20 0 CAADLO CC[C@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)CSC)[C@@H](O)C1 ZINC001219158936 780196846 /nfs/dbraw/zinc/19/68/46/780196846.db2.gz VXXCIVFDUIKRNP-HLTSFMKQSA-N 1 2 275.374 -1.225 20 0 CAADLO CSCC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)N(C)C)C[C@@H]1O ZINC001219158709 780197056 /nfs/dbraw/zinc/19/70/56/780197056.db2.gz MXTOFNJVIUGZOI-BBBLOLIVSA-N 1 2 289.401 -1.013 20 0 CAADLO CSCC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)N(C)C)C[C@@H]1O ZINC001219158709 780197061 /nfs/dbraw/zinc/19/70/61/780197061.db2.gz MXTOFNJVIUGZOI-BBBLOLIVSA-N 1 2 289.401 -1.013 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)CNC(N)=O)[C@@H](O)C1 ZINC001219163150 780197412 /nfs/dbraw/zinc/19/74/12/780197412.db2.gz IAKGBKFQSQAOSQ-QYNIQEEDSA-N 1 2 273.293 -3.310 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)CNC(N)=O)[C@@H](O)C1 ZINC001219163150 780197414 /nfs/dbraw/zinc/19/74/14/780197414.db2.gz IAKGBKFQSQAOSQ-QYNIQEEDSA-N 1 2 273.293 -3.310 20 0 CAADLO Cn1nccc1C[N@H+]1C[C@@H](NC(=O)CNC(N)=O)[C@@H](O)C1 ZINC001219167096 780198135 /nfs/dbraw/zinc/19/81/35/780198135.db2.gz HLBJVNLUUCYEAD-ZJUUUORDSA-N 1 2 296.331 -2.250 20 0 CAADLO Cn1nccc1C[N@@H+]1C[C@@H](NC(=O)CNC(N)=O)[C@@H](O)C1 ZINC001219167096 780198140 /nfs/dbraw/zinc/19/81/40/780198140.db2.gz HLBJVNLUUCYEAD-ZJUUUORDSA-N 1 2 296.331 -2.250 20 0 CAADLO NC(=O)NCC(=O)N[C@@H]1C[N@H+](CC(=O)NC2CC2)C[C@@H]1O ZINC001219169126 780198630 /nfs/dbraw/zinc/19/86/30/780198630.db2.gz XDKXNALTPUGUPB-BDAKNGLRSA-N 1 2 299.331 -2.905 20 0 CAADLO NC(=O)NCC(=O)N[C@@H]1C[N@@H+](CC(=O)NC2CC2)C[C@@H]1O ZINC001219169126 780198635 /nfs/dbraw/zinc/19/86/35/780198635.db2.gz XDKXNALTPUGUPB-BDAKNGLRSA-N 1 2 299.331 -2.905 20 0 CAADLO CC[C@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)CNC(N)=O)[C@@H](O)C1 ZINC001219163465 780198911 /nfs/dbraw/zinc/19/89/11/780198911.db2.gz VGYBOWDFFMZOSA-PRJMDXOYSA-N 1 2 287.320 -2.920 20 0 CAADLO CC[C@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)CNC(N)=O)[C@@H](O)C1 ZINC001219163465 780198912 /nfs/dbraw/zinc/19/89/12/780198912.db2.gz VGYBOWDFFMZOSA-PRJMDXOYSA-N 1 2 287.320 -2.920 20 0 CAADLO O=C(CCn1cncn1)N[C@@H]1C[N@@H+](CCF)C[C@@H]1O ZINC001219207068 780199308 /nfs/dbraw/zinc/19/93/08/780199308.db2.gz VZUVLARERWYAAI-ZJUUUORDSA-N 1 2 271.296 -1.201 20 0 CAADLO O=C(CCn1cncn1)N[C@@H]1C[N@H+](CCF)C[C@@H]1O ZINC001219207068 780199311 /nfs/dbraw/zinc/19/93/11/780199311.db2.gz VZUVLARERWYAAI-ZJUUUORDSA-N 1 2 271.296 -1.201 20 0 CAADLO CC(=O)N(C)CC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@@H]1O ZINC001219221752 780201446 /nfs/dbraw/zinc/20/14/46/780201446.db2.gz GJBFBIRANWKZAB-MXWKQRLJSA-N 1 2 298.343 -2.486 20 0 CAADLO CC(=O)N(C)CC(=O)N[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@@H]1O ZINC001219221752 780201449 /nfs/dbraw/zinc/20/14/49/780201449.db2.gz GJBFBIRANWKZAB-MXWKQRLJSA-N 1 2 298.343 -2.486 20 0 CAADLO CC(C)OCCC(=O)N[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@@H]1O ZINC001219230204 780201790 /nfs/dbraw/zinc/20/17/90/780201790.db2.gz RYBMULZUUIIHAP-WOPDTQHZSA-N 1 2 299.371 -1.149 20 0 CAADLO CC(C)OCCC(=O)N[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@@H]1O ZINC001219230204 780201798 /nfs/dbraw/zinc/20/17/98/780201798.db2.gz RYBMULZUUIIHAP-WOPDTQHZSA-N 1 2 299.371 -1.149 20 0 CAADLO CC(=O)N(C)CC(=O)N[C@@H]1C[N@H+]([C@H](C)C(N)=O)C[C@@H]1O ZINC001219221706 780202272 /nfs/dbraw/zinc/20/22/72/780202272.db2.gz DHZWUUZUKXZUOY-QNSHHTMESA-N 1 2 286.332 -2.500 20 0 CAADLO CC(=O)N(C)CC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(N)=O)C[C@@H]1O ZINC001219221706 780202280 /nfs/dbraw/zinc/20/22/80/780202280.db2.gz DHZWUUZUKXZUOY-QNSHHTMESA-N 1 2 286.332 -2.500 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)COCC2CC2)[C@@H](O)C1 ZINC001219253213 780202651 /nfs/dbraw/zinc/20/26/51/780202651.db2.gz KCXWIGIIBVSTBO-JLLWLGSASA-N 1 2 299.371 -1.291 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)COCC2CC2)[C@@H](O)C1 ZINC001219253213 780202659 /nfs/dbraw/zinc/20/26/59/780202659.db2.gz KCXWIGIIBVSTBO-JLLWLGSASA-N 1 2 299.371 -1.291 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)CNC(=O)C2CC2)[C@@H](O)C1 ZINC001219256095 780202672 /nfs/dbraw/zinc/20/26/72/780202672.db2.gz BSVJIZIWQRAGNA-QNSHHTMESA-N 1 2 298.343 -2.452 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)CNC(=O)C2CC2)[C@@H](O)C1 ZINC001219256095 780202677 /nfs/dbraw/zinc/20/26/77/780202677.db2.gz BSVJIZIWQRAGNA-QNSHHTMESA-N 1 2 298.343 -2.452 20 0 CAADLO O=C(COCC1CC1)N[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@@H]1O ZINC001219253472 780202740 /nfs/dbraw/zinc/20/27/40/780202740.db2.gz WAYCLLNYMXZKSN-WOPDTQHZSA-N 1 2 297.355 -1.537 20 0 CAADLO O=C(COCC1CC1)N[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@@H]1O ZINC001219253472 780202745 /nfs/dbraw/zinc/20/27/45/780202745.db2.gz WAYCLLNYMXZKSN-WOPDTQHZSA-N 1 2 297.355 -1.537 20 0 CAADLO CC[C@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)COCC2CC2)[C@@H](O)C1 ZINC001219255043 780203150 /nfs/dbraw/zinc/20/31/50/780203150.db2.gz GGKILPIUGDDNQN-UTUOFQBUSA-N 1 2 299.371 -1.162 20 0 CAADLO CC[C@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)COCC2CC2)[C@@H](O)C1 ZINC001219255043 780203156 /nfs/dbraw/zinc/20/31/56/780203156.db2.gz GGKILPIUGDDNQN-UTUOFQBUSA-N 1 2 299.371 -1.162 20 0 CAADLO CCOCCCC(=O)N[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@@H]1O ZINC001219248306 780203641 /nfs/dbraw/zinc/20/36/41/780203641.db2.gz OGCWTSROZWALJJ-WOPDTQHZSA-N 1 2 299.371 -1.147 20 0 CAADLO CCOCCCC(=O)N[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@@H]1O ZINC001219248306 780203644 /nfs/dbraw/zinc/20/36/44/780203644.db2.gz OGCWTSROZWALJJ-WOPDTQHZSA-N 1 2 299.371 -1.147 20 0 CAADLO CC[C@@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)COCC2CC2)[C@@H](O)C1 ZINC001219255044 780203787 /nfs/dbraw/zinc/20/37/87/780203787.db2.gz GGKILPIUGDDNQN-WOPDTQHZSA-N 1 2 299.371 -1.162 20 0 CAADLO CC[C@@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)COCC2CC2)[C@@H](O)C1 ZINC001219255044 780203793 /nfs/dbraw/zinc/20/37/93/780203793.db2.gz GGKILPIUGDDNQN-WOPDTQHZSA-N 1 2 299.371 -1.162 20 0 CAADLO O=C(COCC1CC1)N[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@@H]1O ZINC001219253471 780203858 /nfs/dbraw/zinc/20/38/58/780203858.db2.gz WAYCLLNYMXZKSN-UTUOFQBUSA-N 1 2 297.355 -1.537 20 0 CAADLO O=C(COCC1CC1)N[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@@H]1O ZINC001219253471 780203862 /nfs/dbraw/zinc/20/38/62/780203862.db2.gz WAYCLLNYMXZKSN-UTUOFQBUSA-N 1 2 297.355 -1.537 20 0 CAADLO CO[C@@H](C)C(=O)N[C@@H]1C[N@H+](CC(=O)N(C)C2CC2)C[C@@H]1O ZINC001219272245 780204301 /nfs/dbraw/zinc/20/43/01/780204301.db2.gz CTMQPZIXBFUCCY-WCQGTBRESA-N 1 2 299.371 -1.197 20 0 CAADLO CO[C@@H](C)C(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)C2CC2)C[C@@H]1O ZINC001219272245 780204303 /nfs/dbraw/zinc/20/43/03/780204303.db2.gz CTMQPZIXBFUCCY-WCQGTBRESA-N 1 2 299.371 -1.197 20 0 CAADLO CCN(C)C(=O)C[N@H+]1C[C@@H](NC(=O)[C@H](C)OC)[C@@H](O)C1 ZINC001219272373 780204399 /nfs/dbraw/zinc/20/43/99/780204399.db2.gz HTDPCOZJZLHVIR-AXFHLTTASA-N 1 2 287.360 -1.339 20 0 CAADLO CCN(C)C(=O)C[N@@H+]1C[C@@H](NC(=O)[C@H](C)OC)[C@@H](O)C1 ZINC001219272373 780204405 /nfs/dbraw/zinc/20/44/05/780204405.db2.gz HTDPCOZJZLHVIR-AXFHLTTASA-N 1 2 287.360 -1.339 20 0 CAADLO COCCCC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@@H]1O ZINC001219257707 780204774 /nfs/dbraw/zinc/20/47/74/780204774.db2.gz PSDCYHRQNAWEIJ-MXWKQRLJSA-N 1 2 285.344 -1.537 20 0 CAADLO COCCCC(=O)N[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@@H]1O ZINC001219257707 780204780 /nfs/dbraw/zinc/20/47/80/780204780.db2.gz PSDCYHRQNAWEIJ-MXWKQRLJSA-N 1 2 285.344 -1.537 20 0 CAADLO CNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)CCCOC)[C@@H](O)C1 ZINC001219263456 780204953 /nfs/dbraw/zinc/20/49/53/780204953.db2.gz OVRDTZTVSQVXDN-AXFHLTTASA-N 1 2 287.360 -1.291 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)CCCOC)[C@@H](O)C1 ZINC001219263456 780204958 /nfs/dbraw/zinc/20/49/58/780204958.db2.gz OVRDTZTVSQVXDN-AXFHLTTASA-N 1 2 287.360 -1.291 20 0 CAADLO COCCCC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCN(C)C2=O)C[C@@H]1O ZINC001219264564 780205466 /nfs/dbraw/zinc/20/54/66/780205466.db2.gz IWGRIMFXZHYCTN-UTUOFQBUSA-N 1 2 299.371 -1.195 20 0 CAADLO COCCCC(=O)N[C@@H]1C[N@H+]([C@@H]2CCN(C)C2=O)C[C@@H]1O ZINC001219264564 780205470 /nfs/dbraw/zinc/20/54/70/780205470.db2.gz IWGRIMFXZHYCTN-UTUOFQBUSA-N 1 2 299.371 -1.195 20 0 CAADLO CC[C@@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)CCCOC)[C@@H](O)C1 ZINC001219263217 780205526 /nfs/dbraw/zinc/20/55/26/780205526.db2.gz DEAGKLKQZSKGND-VWYCJHECSA-N 1 2 287.360 -1.162 20 0 CAADLO CC[C@@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)CCCOC)[C@@H](O)C1 ZINC001219263217 780205528 /nfs/dbraw/zinc/20/55/28/780205528.db2.gz DEAGKLKQZSKGND-VWYCJHECSA-N 1 2 287.360 -1.162 20 0 CAADLO CCCC[N@H+]1C[C@@H](NC(=O)CS(C)(=O)=O)[C@@H](O)C1 ZINC001219291035 780206196 /nfs/dbraw/zinc/20/61/96/780206196.db2.gz LDLUIXXTGMVEKC-ZJUUUORDSA-N 1 2 278.374 -1.008 20 0 CAADLO CCCC[N@@H+]1C[C@@H](NC(=O)CS(C)(=O)=O)[C@@H](O)C1 ZINC001219291035 780206205 /nfs/dbraw/zinc/20/62/05/780206205.db2.gz LDLUIXXTGMVEKC-ZJUUUORDSA-N 1 2 278.374 -1.008 20 0 CAADLO O=C(CC(F)(F)F)N[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@@H]1O ZINC001219309497 780207517 /nfs/dbraw/zinc/20/75/17/780207517.db2.gz RLBWVRLEWNJKRA-PRJMDXOYSA-N 1 2 295.261 -1.011 20 0 CAADLO O=C(CC(F)(F)F)N[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@@H]1O ZINC001219309497 780207523 /nfs/dbraw/zinc/20/75/23/780207523.db2.gz RLBWVRLEWNJKRA-PRJMDXOYSA-N 1 2 295.261 -1.011 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)COC(C)C)[C@@H](O)C1 ZINC001219312905 780207927 /nfs/dbraw/zinc/20/79/27/780207927.db2.gz QWMAHFHXIHCVBN-MXWKQRLJSA-N 1 2 287.360 -1.293 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)COC(C)C)[C@@H](O)C1 ZINC001219312905 780207932 /nfs/dbraw/zinc/20/79/32/780207932.db2.gz QWMAHFHXIHCVBN-MXWKQRLJSA-N 1 2 287.360 -1.293 20 0 CAADLO CC[C@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)COC(C)C)[C@@H](O)C1 ZINC001219314695 780208049 /nfs/dbraw/zinc/20/80/49/780208049.db2.gz HQOYFCMPSLFFHE-MXWKQRLJSA-N 1 2 287.360 -1.163 20 0 CAADLO CC[C@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)COC(C)C)[C@@H](O)C1 ZINC001219314695 780208051 /nfs/dbraw/zinc/20/80/51/780208051.db2.gz HQOYFCMPSLFFHE-MXWKQRLJSA-N 1 2 287.360 -1.163 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)CC(F)(F)F)[C@@H](O)C1 ZINC001219306687 780208078 /nfs/dbraw/zinc/20/80/78/780208078.db2.gz XABHYDKSKZDYIN-XVMARJQXSA-N 1 2 283.250 -1.026 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)CC(F)(F)F)[C@@H](O)C1 ZINC001219306687 780208082 /nfs/dbraw/zinc/20/80/82/780208082.db2.gz XABHYDKSKZDYIN-XVMARJQXSA-N 1 2 283.250 -1.026 20 0 CAADLO CC(C)OCC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCCNC2=O)C[C@@H]1O ZINC001219311070 780208190 /nfs/dbraw/zinc/20/81/90/780208190.db2.gz OTUKISAASJUILJ-UTUOFQBUSA-N 1 2 299.371 -1.149 20 0 CAADLO CC(C)OCC(=O)N[C@@H]1C[N@H+]([C@@H]2CCCNC2=O)C[C@@H]1O ZINC001219311070 780208193 /nfs/dbraw/zinc/20/81/93/780208193.db2.gz OTUKISAASJUILJ-UTUOFQBUSA-N 1 2 299.371 -1.149 20 0 CAADLO CCOCCC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)NC)C[C@@H]1O ZINC001219350919 780210463 /nfs/dbraw/zinc/21/04/63/780210463.db2.gz RBBDPOSVVSBGHU-MXWKQRLJSA-N 1 2 287.360 -1.291 20 0 CAADLO CCOCCC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)NC)C[C@@H]1O ZINC001219350919 780210468 /nfs/dbraw/zinc/21/04/68/780210468.db2.gz RBBDPOSVVSBGHU-MXWKQRLJSA-N 1 2 287.360 -1.291 20 0 CAADLO COCCCCC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(N)=O)C[C@@H]1O ZINC001219336759 780210546 /nfs/dbraw/zinc/21/05/46/780210546.db2.gz IHLSDUZOQKBAHW-MXWKQRLJSA-N 1 2 287.360 -1.162 20 0 CAADLO COCCCCC(=O)N[C@@H]1C[N@H+]([C@H](C)C(N)=O)C[C@@H]1O ZINC001219336759 780210557 /nfs/dbraw/zinc/21/05/57/780210557.db2.gz IHLSDUZOQKBAHW-MXWKQRLJSA-N 1 2 287.360 -1.162 20 0 CAADLO CO[C@@H](C)CC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@@H]1O ZINC001219342629 780211018 /nfs/dbraw/zinc/21/10/18/780211018.db2.gz CUYVZGLBVCLPMO-TUAOUCFPSA-N 1 2 299.371 -1.195 20 0 CAADLO CO[C@@H](C)CC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@@H]1O ZINC001219342629 780211023 /nfs/dbraw/zinc/21/10/23/780211023.db2.gz CUYVZGLBVCLPMO-TUAOUCFPSA-N 1 2 299.371 -1.195 20 0 CAADLO CCOCCC(=O)N[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@@H]1O ZINC001219347675 780211133 /nfs/dbraw/zinc/21/11/33/780211133.db2.gz PAWKRAXOXRJBHJ-VWYCJHECSA-N 1 2 285.344 -1.537 20 0 CAADLO CCOCCC(=O)N[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@@H]1O ZINC001219347675 780211141 /nfs/dbraw/zinc/21/11/41/780211141.db2.gz PAWKRAXOXRJBHJ-VWYCJHECSA-N 1 2 285.344 -1.537 20 0 CAADLO CCOCCC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCCNC2=O)C[C@@H]1O ZINC001219347483 780211219 /nfs/dbraw/zinc/21/12/19/780211219.db2.gz KIAWHOJQKSUFQQ-UTUOFQBUSA-N 1 2 299.371 -1.147 20 0 CAADLO CCOCCC(=O)N[C@@H]1C[N@H+]([C@@H]2CCCNC2=O)C[C@@H]1O ZINC001219347483 780211229 /nfs/dbraw/zinc/21/12/29/780211229.db2.gz KIAWHOJQKSUFQQ-UTUOFQBUSA-N 1 2 299.371 -1.147 20 0 CAADLO CO[C@@H](C)CC(=O)N[C@@H]1C[N@H+](CC(=O)NC2CC2)C[C@@H]1O ZINC001219338504 780211616 /nfs/dbraw/zinc/21/16/16/780211616.db2.gz DFCBONLNYWEFNJ-WCQGTBRESA-N 1 2 299.371 -1.149 20 0 CAADLO CO[C@@H](C)CC(=O)N[C@@H]1C[N@@H+](CC(=O)NC2CC2)C[C@@H]1O ZINC001219338504 780211620 /nfs/dbraw/zinc/21/16/20/780211620.db2.gz DFCBONLNYWEFNJ-WCQGTBRESA-N 1 2 299.371 -1.149 20 0 CAADLO CCOCCC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCN(C)C2=O)C[C@@H]1O ZINC001219352256 780212004 /nfs/dbraw/zinc/21/20/04/780212004.db2.gz SUQSQVCXQRJGHJ-UTUOFQBUSA-N 1 2 299.371 -1.195 20 0 CAADLO CCOCCC(=O)N[C@@H]1C[N@H+]([C@@H]2CCN(C)C2=O)C[C@@H]1O ZINC001219352256 780212013 /nfs/dbraw/zinc/21/20/13/780212013.db2.gz SUQSQVCXQRJGHJ-UTUOFQBUSA-N 1 2 299.371 -1.195 20 0 CAADLO COC[C@H](C)C(=O)N[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@@H]1O ZINC001219355963 780212071 /nfs/dbraw/zinc/21/20/71/780212071.db2.gz RZGMNEWWYUBYSD-AXFHLTTASA-N 1 2 287.360 -1.482 20 0 CAADLO COC[C@H](C)C(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@@H]1O ZINC001219355963 780212082 /nfs/dbraw/zinc/21/20/82/780212082.db2.gz RZGMNEWWYUBYSD-AXFHLTTASA-N 1 2 287.360 -1.482 20 0 CAADLO CCOCCC(=O)N[C@@H]1C[N@@H+]([C@H](CC)C(N)=O)C[C@@H]1O ZINC001219352344 780213225 /nfs/dbraw/zinc/21/32/25/780213225.db2.gz WYZQSGCWKVXXTE-MXWKQRLJSA-N 1 2 287.360 -1.162 20 0 CAADLO CCOCCC(=O)N[C@@H]1C[N@H+]([C@H](CC)C(N)=O)C[C@@H]1O ZINC001219352344 780213230 /nfs/dbraw/zinc/21/32/30/780213230.db2.gz WYZQSGCWKVXXTE-MXWKQRLJSA-N 1 2 287.360 -1.162 20 0 CAADLO CCC(=O)NCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(N)=O)C[C@@H]1O ZINC001219375809 780214290 /nfs/dbraw/zinc/21/42/90/780214290.db2.gz BMGKPCNGSQYEIV-YIZRAAEISA-N 1 2 286.332 -2.452 20 0 CAADLO CCC(=O)NCC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(N)=O)C[C@@H]1O ZINC001219375809 780214293 /nfs/dbraw/zinc/21/42/93/780214293.db2.gz BMGKPCNGSQYEIV-YIZRAAEISA-N 1 2 286.332 -2.452 20 0 CAADLO CCC(=O)NCC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@@H]1O ZINC001219374217 780215010 /nfs/dbraw/zinc/21/50/10/780215010.db2.gz POIWWFOIDSZZJC-BBBLOLIVSA-N 1 2 298.343 -2.438 20 0 CAADLO CCC(=O)NCC(=O)N[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@@H]1O ZINC001219374217 780215017 /nfs/dbraw/zinc/21/50/17/780215017.db2.gz POIWWFOIDSZZJC-BBBLOLIVSA-N 1 2 298.343 -2.438 20 0 CAADLO CCC(=O)NCC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(N)=O)C[C@@H]1O ZINC001219375808 780215050 /nfs/dbraw/zinc/21/50/50/780215050.db2.gz BMGKPCNGSQYEIV-HLTSFMKQSA-N 1 2 286.332 -2.452 20 0 CAADLO CCC(=O)NCC(=O)N[C@@H]1C[N@H+]([C@H](C)C(N)=O)C[C@@H]1O ZINC001219375808 780215056 /nfs/dbraw/zinc/21/50/56/780215056.db2.gz BMGKPCNGSQYEIV-HLTSFMKQSA-N 1 2 286.332 -2.452 20 0 CAADLO CCC(=O)NCC(=O)N[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@@H]1O ZINC001219374218 780215141 /nfs/dbraw/zinc/21/51/41/780215141.db2.gz POIWWFOIDSZZJC-UTLUCORTSA-N 1 2 298.343 -2.438 20 0 CAADLO CCC(=O)NCC(=O)N[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@@H]1O ZINC001219374218 780215145 /nfs/dbraw/zinc/21/51/45/780215145.db2.gz POIWWFOIDSZZJC-UTLUCORTSA-N 1 2 298.343 -2.438 20 0 CAADLO CCNC(=O)C[N@H+]1C[C@@H](NC(=O)C[C@H]2CCOC2)[C@@H](O)C1 ZINC001219399043 780215529 /nfs/dbraw/zinc/21/55/29/780215529.db2.gz HKNIRNWGGYALGL-UTUOFQBUSA-N 1 2 299.371 -1.290 20 0 CAADLO CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)C[C@H]2CCOC2)[C@@H](O)C1 ZINC001219399043 780215538 /nfs/dbraw/zinc/21/55/38/780215538.db2.gz HKNIRNWGGYALGL-UTUOFQBUSA-N 1 2 299.371 -1.290 20 0 CAADLO Cn1cncc1C[N@H+]1C[C@@H](NC(=O)CC(N)=O)[C@@H](O)C1 ZINC001219402600 780215614 /nfs/dbraw/zinc/21/56/14/780215614.db2.gz DGUXUKVOKIINAH-ZJUUUORDSA-N 1 2 281.316 -2.043 20 0 CAADLO Cn1cncc1C[N@@H+]1C[C@@H](NC(=O)CC(N)=O)[C@@H](O)C1 ZINC001219402600 780215618 /nfs/dbraw/zinc/21/56/18/780215618.db2.gz DGUXUKVOKIINAH-ZJUUUORDSA-N 1 2 281.316 -2.043 20 0 CAADLO Cn1c[nH+]cc1CN1C[C@@H](NC(=O)CC(N)=O)[C@@H](O)C1 ZINC001219402600 780215627 /nfs/dbraw/zinc/21/56/27/780215627.db2.gz DGUXUKVOKIINAH-ZJUUUORDSA-N 1 2 281.316 -2.043 20 0 CAADLO Cc1cc(C[N@H+]2C[C@@H](NC(=O)CC(N)=O)[C@@H](O)C2)on1 ZINC001219402943 780215749 /nfs/dbraw/zinc/21/57/49/780215749.db2.gz MUSIJZBVICKJRG-ZJUUUORDSA-N 1 2 282.300 -1.480 20 0 CAADLO Cc1cc(C[N@@H+]2C[C@@H](NC(=O)CC(N)=O)[C@@H](O)C2)on1 ZINC001219402943 780215759 /nfs/dbraw/zinc/21/57/59/780215759.db2.gz MUSIJZBVICKJRG-ZJUUUORDSA-N 1 2 282.300 -1.480 20 0 CAADLO CC(C)(C)C(=O)C(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1O ZINC001219389674 780216002 /nfs/dbraw/zinc/21/60/02/780216002.db2.gz GFKFFCKBVXUNPC-BDAKNGLRSA-N 1 2 258.318 -1.245 20 0 CAADLO CC(C)(C)C(=O)C(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001219389674 780216007 /nfs/dbraw/zinc/21/60/07/780216007.db2.gz GFKFFCKBVXUNPC-BDAKNGLRSA-N 1 2 258.318 -1.245 20 0 CAADLO NC(=O)CC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@@H]1O ZINC001219402971 780216168 /nfs/dbraw/zinc/21/61/68/780216168.db2.gz NIGHXRIPPATUPN-PRJMDXOYSA-N 1 2 270.289 -3.088 20 0 CAADLO NC(=O)CC(=O)N[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@@H]1O ZINC001219402971 780216178 /nfs/dbraw/zinc/21/61/78/780216178.db2.gz NIGHXRIPPATUPN-PRJMDXOYSA-N 1 2 270.289 -3.088 20 0 CAADLO COCCC[N@H+](CCO)Cc1nc(N)nc(N)n1 ZINC000189883381 780216211 /nfs/dbraw/zinc/21/62/11/780216211.db2.gz JISWBNCNEDRNBP-UHFFFAOYSA-N 1 2 256.310 -1.133 20 0 CAADLO COCCC[N@@H+](CCO)Cc1nc(N)nc(N)n1 ZINC000189883381 780216220 /nfs/dbraw/zinc/21/62/20/780216220.db2.gz JISWBNCNEDRNBP-UHFFFAOYSA-N 1 2 256.310 -1.133 20 0 CAADLO CCc1nocc1C[N@H+]1C[C@@H](NC(=O)CC(N)=O)[C@@H](O)C1 ZINC001219402589 780216480 /nfs/dbraw/zinc/21/64/80/780216480.db2.gz CVWRWFPBTMEEDI-MNOVXSKESA-N 1 2 296.327 -1.226 20 0 CAADLO CCc1nocc1C[N@@H+]1C[C@@H](NC(=O)CC(N)=O)[C@@H](O)C1 ZINC001219402589 780216483 /nfs/dbraw/zinc/21/64/83/780216483.db2.gz CVWRWFPBTMEEDI-MNOVXSKESA-N 1 2 296.327 -1.226 20 0 CAADLO Cc1ncc(C[N@H+]2C[C@@H](NC(=O)CC(N)=O)[C@@H](O)C2)s1 ZINC001219403098 780217581 /nfs/dbraw/zinc/21/75/81/780217581.db2.gz QKYBCYRLMFUDEG-ZJUUUORDSA-N 1 2 298.368 -1.012 20 0 CAADLO Cc1ncc(C[N@@H+]2C[C@@H](NC(=O)CC(N)=O)[C@@H](O)C2)s1 ZINC001219403098 780217584 /nfs/dbraw/zinc/21/75/84/780217584.db2.gz QKYBCYRLMFUDEG-ZJUUUORDSA-N 1 2 298.368 -1.012 20 0 CAADLO Cc1oncc1C[N@H+]1C[C@@H](NC(=O)CC(N)=O)[C@@H](O)C1 ZINC001219411328 780217638 /nfs/dbraw/zinc/21/76/38/780217638.db2.gz FJGVZBRJLTVMFT-ZJUUUORDSA-N 1 2 282.300 -1.480 20 0 CAADLO Cc1oncc1C[N@@H+]1C[C@@H](NC(=O)CC(N)=O)[C@@H](O)C1 ZINC001219411328 780217644 /nfs/dbraw/zinc/21/76/44/780217644.db2.gz FJGVZBRJLTVMFT-ZJUUUORDSA-N 1 2 282.300 -1.480 20 0 CAADLO Cc1nocc1C[N@H+]1C[C@@H](NC(=O)CC(N)=O)[C@@H](O)C1 ZINC001219403283 780217850 /nfs/dbraw/zinc/21/78/50/780217850.db2.gz YGJFBCOGQYPXDZ-ZJUUUORDSA-N 1 2 282.300 -1.480 20 0 CAADLO Cc1nocc1C[N@@H+]1C[C@@H](NC(=O)CC(N)=O)[C@@H](O)C1 ZINC001219403283 780217856 /nfs/dbraw/zinc/21/78/56/780217856.db2.gz YGJFBCOGQYPXDZ-ZJUUUORDSA-N 1 2 282.300 -1.480 20 0 CAADLO NC(=O)CC(=O)N[C@@H]1C[N@H+](C/C=C\Cl)C[C@@H]1O ZINC001219403928 780218112 /nfs/dbraw/zinc/21/81/12/780218112.db2.gz AFAZEACRKLHGTQ-DREYKADXSA-N 1 2 261.709 -1.224 20 0 CAADLO NC(=O)CC(=O)N[C@@H]1C[N@@H+](C/C=C\Cl)C[C@@H]1O ZINC001219403928 780218123 /nfs/dbraw/zinc/21/81/23/780218123.db2.gz AFAZEACRKLHGTQ-DREYKADXSA-N 1 2 261.709 -1.224 20 0 CAADLO NC(=O)CC(=O)N[C@@H]1C[N@H+](CC(=O)NC2CC2)C[C@@H]1O ZINC001219403231 780218321 /nfs/dbraw/zinc/21/83/21/780218321.db2.gz WAUPKHWCVCBPNK-BDAKNGLRSA-N 1 2 284.316 -2.698 20 0 CAADLO NC(=O)CC(=O)N[C@@H]1C[N@@H+](CC(=O)NC2CC2)C[C@@H]1O ZINC001219403231 780218327 /nfs/dbraw/zinc/21/83/27/780218327.db2.gz WAUPKHWCVCBPNK-BDAKNGLRSA-N 1 2 284.316 -2.698 20 0 CAADLO Cc1ncoc1C[N@H+]1C[C@@H](NC(=O)CC(N)=O)[C@@H](O)C1 ZINC001219412900 780219042 /nfs/dbraw/zinc/21/90/42/780219042.db2.gz IACGMHJGOZWFGW-BDAKNGLRSA-N 1 2 282.300 -1.480 20 0 CAADLO Cc1ncoc1C[N@@H+]1C[C@@H](NC(=O)CC(N)=O)[C@@H](O)C1 ZINC001219412900 780219049 /nfs/dbraw/zinc/21/90/49/780219049.db2.gz IACGMHJGOZWFGW-BDAKNGLRSA-N 1 2 282.300 -1.480 20 0 CAADLO C[C@@H](c1cnccn1)[N@H+]1C[C@@H](NC(=O)CC(N)=O)[C@@H](O)C1 ZINC001219413173 780220129 /nfs/dbraw/zinc/22/01/29/780220129.db2.gz LGAWHQPJXIDJSG-GDPRMGEGSA-N 1 2 293.327 -1.426 20 0 CAADLO C[C@@H](c1cnccn1)[N@@H+]1C[C@@H](NC(=O)CC(N)=O)[C@@H](O)C1 ZINC001219413173 780220132 /nfs/dbraw/zinc/22/01/32/780220132.db2.gz LGAWHQPJXIDJSG-GDPRMGEGSA-N 1 2 293.327 -1.426 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)/C=C/C2CC2)[C@@H](O)C1 ZINC001219420945 780220463 /nfs/dbraw/zinc/22/04/63/780220463.db2.gz ZKVJHHJZUPHDAG-SKKJNWLKSA-N 1 2 267.329 -1.012 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)/C=C/C2CC2)[C@@H](O)C1 ZINC001219420945 780220476 /nfs/dbraw/zinc/22/04/76/780220476.db2.gz ZKVJHHJZUPHDAG-SKKJNWLKSA-N 1 2 267.329 -1.012 20 0 CAADLO Cc1cc(C[N@H+]2C[C@@H](NC(=O)CC(N)=O)[C@@H](O)C2)sn1 ZINC001219413452 780220530 /nfs/dbraw/zinc/22/05/30/780220530.db2.gz QSLLVWWWLHMONJ-ZJUUUORDSA-N 1 2 298.368 -1.012 20 0 CAADLO Cc1cc(C[N@@H+]2C[C@@H](NC(=O)CC(N)=O)[C@@H](O)C2)sn1 ZINC001219413452 780220541 /nfs/dbraw/zinc/22/05/41/780220541.db2.gz QSLLVWWWLHMONJ-ZJUUUORDSA-N 1 2 298.368 -1.012 20 0 CAADLO O=C(CCc1nc[nH]n1)N[C@@H]1C[N@H+](CCO)C[C@@H]1O ZINC001219441251 780221115 /nfs/dbraw/zinc/22/11/15/780221115.db2.gz RRTGERTWSXGKGF-BDAKNGLRSA-N 1 2 269.305 -2.109 20 0 CAADLO O=C(CCc1nc[nH]n1)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001219441251 780221118 /nfs/dbraw/zinc/22/11/18/780221118.db2.gz RRTGERTWSXGKGF-BDAKNGLRSA-N 1 2 269.305 -2.109 20 0 CAADLO C/C=C(\C)C(=O)N[C@@H]1C[N@@H+]([C@H](C)C(N)=O)C[C@@H]1O ZINC001219443098 780221192 /nfs/dbraw/zinc/22/11/92/780221192.db2.gz IFSVSVSZPGOBNO-TZJCRSHLSA-N 1 2 255.318 -1.012 20 0 CAADLO C/C=C(\C)C(=O)N[C@@H]1C[N@H+]([C@H](C)C(N)=O)C[C@@H]1O ZINC001219443098 780221196 /nfs/dbraw/zinc/22/11/96/780221196.db2.gz IFSVSVSZPGOBNO-TZJCRSHLSA-N 1 2 255.318 -1.012 20 0 CAADLO NC(=O)c1cc(O)cc(NC(=O)[C@@H]([NH3+])Cc2nn[nH]n2)c1 ZINC001219439535 780221585 /nfs/dbraw/zinc/22/15/85/780221585.db2.gz JWDKRDWAQJYXRW-QMMMGPOBSA-N 1 2 291.271 -1.487 20 0 CAADLO C/C=C(\C)C(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(N)=O)C[C@@H]1O ZINC001219443101 780222081 /nfs/dbraw/zinc/22/20/81/780222081.db2.gz IFSVSVSZPGOBNO-ZSJMHTLASA-N 1 2 255.318 -1.012 20 0 CAADLO C/C=C(\C)C(=O)N[C@@H]1C[N@H+]([C@@H](C)C(N)=O)C[C@@H]1O ZINC001219443101 780222084 /nfs/dbraw/zinc/22/20/84/780222084.db2.gz IFSVSVSZPGOBNO-ZSJMHTLASA-N 1 2 255.318 -1.012 20 0 CAADLO CC(C)(C)OCC(=O)N[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@@H]1O ZINC001219488679 780222702 /nfs/dbraw/zinc/22/27/02/780222702.db2.gz QQPMNVKOANTHNC-VWYCJHECSA-N 1 2 299.371 -1.149 20 0 CAADLO CC(C)(C)OCC(=O)N[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@@H]1O ZINC001219488679 780222712 /nfs/dbraw/zinc/22/27/12/780222712.db2.gz QQPMNVKOANTHNC-VWYCJHECSA-N 1 2 299.371 -1.149 20 0 CAADLO CCNC(=O)CC(=O)N[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@@H]1O ZINC001219494307 780223409 /nfs/dbraw/zinc/22/34/09/780223409.db2.gz OWYBZFBTVYYGSQ-UTLUCORTSA-N 1 2 298.343 -2.438 20 0 CAADLO CCNC(=O)CC(=O)N[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@@H]1O ZINC001219494307 780223415 /nfs/dbraw/zinc/22/34/15/780223415.db2.gz OWYBZFBTVYYGSQ-UTLUCORTSA-N 1 2 298.343 -2.438 20 0 CAADLO CNC(=O)CC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCN(C)C2=O)C[C@@H]1O ZINC001219506016 780225270 /nfs/dbraw/zinc/22/52/70/780225270.db2.gz WEWPSOWHIWKKIM-BBBLOLIVSA-N 1 2 298.343 -2.486 20 0 CAADLO CNC(=O)CC(=O)N[C@@H]1C[N@H+]([C@@H]2CCN(C)C2=O)C[C@@H]1O ZINC001219506016 780225277 /nfs/dbraw/zinc/22/52/77/780225277.db2.gz WEWPSOWHIWKKIM-BBBLOLIVSA-N 1 2 298.343 -2.486 20 0 CAADLO CCNC(=O)C[N@H+]1C[C@@H](NC(=O)C2=CCOCC2)[C@@H](O)C1 ZINC001219504120 780225657 /nfs/dbraw/zinc/22/56/57/780225657.db2.gz OMWLAQIIXCDBND-NEPJUHHUSA-N 1 2 297.355 -1.370 20 0 CAADLO CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)C2=CCOCC2)[C@@H](O)C1 ZINC001219504120 780225662 /nfs/dbraw/zinc/22/56/62/780225662.db2.gz OMWLAQIIXCDBND-NEPJUHHUSA-N 1 2 297.355 -1.370 20 0 CAADLO CNC(=O)CC(=O)N[C@@H]1C[N@H+](Cc2ccns2)C[C@@H]1O ZINC001219510629 780226674 /nfs/dbraw/zinc/22/66/74/780226674.db2.gz XZJGLTGNMAPMQD-ZJUUUORDSA-N 1 2 298.368 -1.060 20 0 CAADLO CNC(=O)CC(=O)N[C@@H]1C[N@@H+](Cc2ccns2)C[C@@H]1O ZINC001219510629 780226683 /nfs/dbraw/zinc/22/66/83/780226683.db2.gz XZJGLTGNMAPMQD-ZJUUUORDSA-N 1 2 298.368 -1.060 20 0 CAADLO O=C(CCn1ccnn1)N[C@@H]1C[N@@H+](CCF)C[C@@H]1O ZINC001219525176 780227064 /nfs/dbraw/zinc/22/70/64/780227064.db2.gz WSPNBXRMEFLACC-ZJUUUORDSA-N 1 2 271.296 -1.201 20 0 CAADLO O=C(CCn1ccnn1)N[C@@H]1C[N@H+](CCF)C[C@@H]1O ZINC001219525176 780227065 /nfs/dbraw/zinc/22/70/65/780227065.db2.gz WSPNBXRMEFLACC-ZJUUUORDSA-N 1 2 271.296 -1.201 20 0 CAADLO COC1(CC(=O)N[C@@H]2C[N@@H+]([C@@H](C)C(N)=O)C[C@@H]2O)CCC1 ZINC001219532077 780227278 /nfs/dbraw/zinc/22/72/78/780227278.db2.gz IDLXXTTXLIAEOJ-AXFHLTTASA-N 1 2 299.371 -1.019 20 0 CAADLO COC1(CC(=O)N[C@@H]2C[N@H+]([C@@H](C)C(N)=O)C[C@@H]2O)CCC1 ZINC001219532077 780227286 /nfs/dbraw/zinc/22/72/86/780227286.db2.gz IDLXXTTXLIAEOJ-AXFHLTTASA-N 1 2 299.371 -1.019 20 0 CAADLO CNC(=O)CC(=O)N[C@@H]1C[N@H+](Cc2cnc(C)o2)C[C@@H]1O ZINC001219510530 780227559 /nfs/dbraw/zinc/22/75/59/780227559.db2.gz SVFJNHLTOQXKME-MNOVXSKESA-N 1 2 296.327 -1.220 20 0 CAADLO CNC(=O)CC(=O)N[C@@H]1C[N@@H+](Cc2cnc(C)o2)C[C@@H]1O ZINC001219510530 780227569 /nfs/dbraw/zinc/22/75/69/780227569.db2.gz SVFJNHLTOQXKME-MNOVXSKESA-N 1 2 296.327 -1.220 20 0 CAADLO CCNC(=O)C[N@H+]1C[C@@H](NC(=O)CC(=O)NC)[C@@H](O)C1 ZINC001219510505 780227687 /nfs/dbraw/zinc/22/76/87/780227687.db2.gz RLUQETQFTWJRLK-BDAKNGLRSA-N 1 2 286.332 -2.580 20 0 CAADLO CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)CC(=O)NC)[C@@H](O)C1 ZINC001219510505 780227694 /nfs/dbraw/zinc/22/76/94/780227694.db2.gz RLUQETQFTWJRLK-BDAKNGLRSA-N 1 2 286.332 -2.580 20 0 CAADLO CC[C@@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)CC(C)(C)O)[C@@H](O)C1 ZINC001219552745 780228260 /nfs/dbraw/zinc/22/82/60/780228260.db2.gz IFQPEQMRXKUVOZ-UTLUCORTSA-N 1 2 287.360 -1.427 20 0 CAADLO CC[C@@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)CC(C)(C)O)[C@@H](O)C1 ZINC001219552745 780228264 /nfs/dbraw/zinc/22/82/64/780228264.db2.gz IFQPEQMRXKUVOZ-UTLUCORTSA-N 1 2 287.360 -1.427 20 0 CAADLO CC(C)(O)CC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@@H]1O ZINC001219549445 780229334 /nfs/dbraw/zinc/22/93/34/780229334.db2.gz VEZZVEURGMSCEN-MNOVXSKESA-N 1 2 299.371 -1.459 20 0 CAADLO CC(C)(O)CC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@@H]1O ZINC001219549445 780229345 /nfs/dbraw/zinc/22/93/45/780229345.db2.gz VEZZVEURGMSCEN-MNOVXSKESA-N 1 2 299.371 -1.459 20 0 CAADLO CC(C)(O)CC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCCNC2=O)C[C@@H]1O ZINC001219549234 780229403 /nfs/dbraw/zinc/22/94/03/780229403.db2.gz QBTRJTYSALESBQ-MXWKQRLJSA-N 1 2 299.371 -1.413 20 0 CAADLO CC(C)(O)CC(=O)N[C@@H]1C[N@H+]([C@@H]2CCCNC2=O)C[C@@H]1O ZINC001219549234 780229410 /nfs/dbraw/zinc/22/94/10/780229410.db2.gz QBTRJTYSALESBQ-MXWKQRLJSA-N 1 2 299.371 -1.413 20 0 CAADLO [NH3+][C@@H](Cc1nn[nH]n1)C(=O)NCCn1ccnn1 ZINC001219565289 780232371 /nfs/dbraw/zinc/23/23/71/780232371.db2.gz AHXBUYYYRFHVSP-LURJTMIESA-N 1 2 251.254 -2.523 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)CC2(O)CCC2)[C@@H](O)C1 ZINC001219585866 780234079 /nfs/dbraw/zinc/23/40/79/780234079.db2.gz WVHOPYUTPGTNHN-BBBLOLIVSA-N 1 2 285.344 -1.673 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)CC2(O)CCC2)[C@@H](O)C1 ZINC001219585866 780234085 /nfs/dbraw/zinc/23/40/85/780234085.db2.gz WVHOPYUTPGTNHN-BBBLOLIVSA-N 1 2 285.344 -1.673 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)CC2(O)CCC2)[C@@H](O)C1 ZINC001219585865 780234244 /nfs/dbraw/zinc/23/42/44/780234244.db2.gz WVHOPYUTPGTNHN-AEJSXWLSSA-N 1 2 285.344 -1.673 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)CC2(O)CCC2)[C@@H](O)C1 ZINC001219585865 780234245 /nfs/dbraw/zinc/23/42/45/780234245.db2.gz WVHOPYUTPGTNHN-AEJSXWLSSA-N 1 2 285.344 -1.673 20 0 CAADLO COC(=O)[C@@H]([NH3+])CC(=O)NCCC(=O)N1CCOCC1 ZINC001219573362 780234261 /nfs/dbraw/zinc/23/42/61/780234261.db2.gz KQHDSRLNDDXALN-VIFPVBQESA-N 1 2 287.316 -1.758 20 0 CAADLO CNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)CC2(O)CCC2)[C@@H](O)C1 ZINC001219594834 780235451 /nfs/dbraw/zinc/23/54/51/780235451.db2.gz YJRNSMQPRFGJRN-AXFHLTTASA-N 1 2 299.371 -1.413 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)CC2(O)CCC2)[C@@H](O)C1 ZINC001219594834 780235453 /nfs/dbraw/zinc/23/54/53/780235453.db2.gz YJRNSMQPRFGJRN-AXFHLTTASA-N 1 2 299.371 -1.413 20 0 CAADLO CN(C)C(=O)C[N@H+]1C[C@@H](NC(=O)CC2(O)CCC2)[C@@H](O)C1 ZINC001219593443 780235555 /nfs/dbraw/zinc/23/55/55/780235555.db2.gz STTMKWPVUDZDFY-MNOVXSKESA-N 1 2 299.371 -1.459 20 0 CAADLO CN(C)C(=O)C[N@@H+]1C[C@@H](NC(=O)CC2(O)CCC2)[C@@H](O)C1 ZINC001219593443 780235560 /nfs/dbraw/zinc/23/55/60/780235560.db2.gz STTMKWPVUDZDFY-MNOVXSKESA-N 1 2 299.371 -1.459 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)CC2(O)CCC2)[C@@H](O)C1 ZINC001219594835 780235793 /nfs/dbraw/zinc/23/57/93/780235793.db2.gz YJRNSMQPRFGJRN-MXWKQRLJSA-N 1 2 299.371 -1.413 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CC2(O)CCC2)[C@@H](O)C1 ZINC001219594835 780235803 /nfs/dbraw/zinc/23/58/03/780235803.db2.gz YJRNSMQPRFGJRN-MXWKQRLJSA-N 1 2 299.371 -1.413 20 0 CAADLO Cc1cc(CNC(=O)[C@@H]([NH3+])Cc2nn[nH]n2)no1 ZINC001219603663 780236186 /nfs/dbraw/zinc/23/61/86/780236186.db2.gz CJXXEMADPXQQLS-ZETCQYMHSA-N 1 2 251.250 -1.318 20 0 CAADLO [NH3+][C@@H](Cc1nn[nH]n1)C(=O)NC[C@@H](O)c1ccco1 ZINC001219604056 780236314 /nfs/dbraw/zinc/23/63/14/780236314.db2.gz IIONUJIQEXKXFC-NKWVEPMBSA-N 1 2 266.261 -1.488 20 0 CAADLO COCC1(CC(=O)N[C@@H]2C[N@@H+]([C@H](C)C(N)=O)C[C@@H]2O)CC1 ZINC001219598419 780236609 /nfs/dbraw/zinc/23/66/09/780236609.db2.gz WWFQBZJXXFIUIX-MXWKQRLJSA-N 1 2 299.371 -1.162 20 0 CAADLO COCC1(CC(=O)N[C@@H]2C[N@H+]([C@H](C)C(N)=O)C[C@@H]2O)CC1 ZINC001219598419 780236612 /nfs/dbraw/zinc/23/66/12/780236612.db2.gz WWFQBZJXXFIUIX-MXWKQRLJSA-N 1 2 299.371 -1.162 20 0 CAADLO Cc1cnc(CCNC(=O)[C@@H]([NH3+])Cc2nn[nH]n2)nc1 ZINC001219600678 780236896 /nfs/dbraw/zinc/23/68/96/780236896.db2.gz CILHTIZVAWCRHZ-QMMMGPOBSA-N 1 2 276.304 -1.473 20 0 CAADLO C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)NCc1cnc[nH]1 ZINC001219606969 780237203 /nfs/dbraw/zinc/23/72/03/780237203.db2.gz XWXJMMBGEOWPFB-XPUUQOCRSA-N 1 2 255.278 -2.150 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)CCOCC2CC2)[C@@H](O)C1 ZINC001219615042 780238037 /nfs/dbraw/zinc/23/80/37/780238037.db2.gz DEHVACLIEFNHRM-JLLWLGSASA-N 1 2 299.371 -1.162 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)CCOCC2CC2)[C@@H](O)C1 ZINC001219615042 780238039 /nfs/dbraw/zinc/23/80/39/780238039.db2.gz DEHVACLIEFNHRM-JLLWLGSASA-N 1 2 299.371 -1.162 20 0 CAADLO Cc1nocc1CNC(=O)[C@@H]([NH3+])Cc1nn[nH]n1 ZINC001219607933 780238176 /nfs/dbraw/zinc/23/81/76/780238176.db2.gz HRKVEYKILFZVHO-ZETCQYMHSA-N 1 2 251.250 -1.318 20 0 CAADLO C[C@H](CC(=O)N[C@@H]1C[N@H+](CCF)C[C@@H]1O)NC(N)=O ZINC001219620863 780241664 /nfs/dbraw/zinc/24/16/64/780241664.db2.gz OKPLNAHYBLIJMH-HLTSFMKQSA-N 1 2 276.312 -1.436 20 0 CAADLO C[C@H](CC(=O)N[C@@H]1C[N@@H+](CCF)C[C@@H]1O)NC(N)=O ZINC001219620863 780241669 /nfs/dbraw/zinc/24/16/69/780241669.db2.gz OKPLNAHYBLIJMH-HLTSFMKQSA-N 1 2 276.312 -1.436 20 0 CAADLO O=C(NCCS(=O)(=O)N1CCNCC1)[C@@H]1COC[NH2+]1 ZINC001219676278 780247045 /nfs/dbraw/zinc/24/70/45/780247045.db2.gz DMYUVGLVFTXGSB-VIFPVBQESA-N 1 2 292.361 -2.717 20 0 CAADLO COC(=O)[C@@H]([NH3+])CCC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC001219671703 780247631 /nfs/dbraw/zinc/24/76/31/780247631.db2.gz OJVUHFWMFBGMMS-YUMQZZPRSA-N 1 2 278.330 -1.430 20 0 CAADLO C[C@@H](O)[C@H]1C(=O)N[C@@H]1[C@H](C)C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC001219694144 780248726 /nfs/dbraw/zinc/24/87/26/780248726.db2.gz FWFMKHBQDCRCSA-VSSNEEPJSA-N 1 2 299.371 -1.435 20 0 CAADLO C[C@@H](O)[C@H]1C(=O)N[C@@H]1[C@H](C)C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC001219694144 780248730 /nfs/dbraw/zinc/24/87/30/780248730.db2.gz FWFMKHBQDCRCSA-VSSNEEPJSA-N 1 2 299.371 -1.435 20 0 CAADLO CN(C(=O)CCNC(=O)[C@@H]([NH3+])Cc1nn[nH]n1)C1CC1 ZINC001219693096 780248836 /nfs/dbraw/zinc/24/88/36/780248836.db2.gz NJTCJBNCEBEMIQ-QMMMGPOBSA-N 1 2 281.320 -1.803 20 0 CAADLO COC(=O)[C@@H]([NH3+])CC(=O)Nc1c[nH]c(=O)nc1N ZINC001219700810 780250706 /nfs/dbraw/zinc/25/07/06/780250706.db2.gz FCKYLYLDSIVBNZ-BYPYZUCNSA-N 1 2 255.234 -1.407 20 0 CAADLO CN(CC(=O)N[C@@H]1C[N@H+](CCF)C[C@@H]1O)S(C)(=O)=O ZINC001219736508 780253277 /nfs/dbraw/zinc/25/32/77/780253277.db2.gz UHTXIQZJHFECFU-BDAKNGLRSA-N 1 2 297.352 -1.991 20 0 CAADLO CN(CC(=O)N[C@@H]1C[N@@H+](CCF)C[C@@H]1O)S(C)(=O)=O ZINC001219736508 780253283 /nfs/dbraw/zinc/25/32/83/780253283.db2.gz UHTXIQZJHFECFU-BDAKNGLRSA-N 1 2 297.352 -1.991 20 0 CAADLO CC(=O)OC[C@H]([NH3+])C(=O)n1cc(F)c(=O)nc1N ZINC001219741537 780253697 /nfs/dbraw/zinc/25/36/97/780253697.db2.gz MYPLNXKXFMHKAJ-LURJTMIESA-N 1 2 258.209 -1.262 20 0 CAADLO CN(CC(=O)N[C@@H]1C[N@H+](CCF)C[C@@H]1O)C(=O)C1CC1 ZINC001219738721 780255771 /nfs/dbraw/zinc/25/57/71/780255771.db2.gz TXNJEIPTKUDEHE-MNOVXSKESA-N 1 2 287.335 -1.014 20 0 CAADLO CN(CC(=O)N[C@@H]1C[N@@H+](CCF)C[C@@H]1O)C(=O)C1CC1 ZINC001219738721 780255777 /nfs/dbraw/zinc/25/57/77/780255777.db2.gz TXNJEIPTKUDEHE-MNOVXSKESA-N 1 2 287.335 -1.014 20 0 CAADLO COCC(=O)NCCC(=O)N[C@@H]1C[N@H+](CCF)C[C@@H]1O ZINC001219742800 780256306 /nfs/dbraw/zinc/25/63/06/780256306.db2.gz PLNOCZVGVPFGMU-ZJUUUORDSA-N 1 2 291.323 -1.730 20 0 CAADLO COCC(=O)NCCC(=O)N[C@@H]1C[N@@H+](CCF)C[C@@H]1O ZINC001219742800 780256311 /nfs/dbraw/zinc/25/63/11/780256311.db2.gz PLNOCZVGVPFGMU-ZJUUUORDSA-N 1 2 291.323 -1.730 20 0 CAADLO C[C@@H](C(=O)N[C@@H]1C[N@H+](CC2CC2)C[C@@H]1O)S(C)(=O)=O ZINC001219886746 780273090 /nfs/dbraw/zinc/27/30/90/780273090.db2.gz ONZXBZIPVJMXEU-GDPRMGEGSA-N 1 2 290.385 -1.009 20 0 CAADLO C[C@@H](C(=O)N[C@@H]1C[N@@H+](CC2CC2)C[C@@H]1O)S(C)(=O)=O ZINC001219886746 780273098 /nfs/dbraw/zinc/27/30/98/780273098.db2.gz ONZXBZIPVJMXEU-GDPRMGEGSA-N 1 2 290.385 -1.009 20 0 CAADLO C[C@H](C(=O)N[C@@H]1C[N@H+](CC2CC2)C[C@@H]1O)S(C)(=O)=O ZINC001219886747 780273218 /nfs/dbraw/zinc/27/32/18/780273218.db2.gz ONZXBZIPVJMXEU-IEBDPFPHSA-N 1 2 290.385 -1.009 20 0 CAADLO C[C@H](C(=O)N[C@@H]1C[N@@H+](CC2CC2)C[C@@H]1O)S(C)(=O)=O ZINC001219886747 780273228 /nfs/dbraw/zinc/27/32/28/780273228.db2.gz ONZXBZIPVJMXEU-IEBDPFPHSA-N 1 2 290.385 -1.009 20 0 CAADLO CCOC(=O)CC(=N)NC(=O)C[C@H]([NH3+])C(=O)OC ZINC001219882671 780273420 /nfs/dbraw/zinc/27/34/20/780273420.db2.gz MFOOVZFZJGJEIF-LURJTMIESA-N 1 2 259.262 -1.077 20 0 CAADLO O=C(N[C@@H]1SC(=O)NC1=O)[C@@H]1COC2(C[NH2+]C2)CN1 ZINC001219904165 780274761 /nfs/dbraw/zinc/27/47/61/780274761.db2.gz SNFKHIFSXCZSJG-YLWLKBPMSA-N 1 2 286.313 -2.258 20 0 CAADLO O=C(N[C@@H]1SC(=O)NC1=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1 ZINC001219903837 780274956 /nfs/dbraw/zinc/27/49/56/780274956.db2.gz ILTLHNAGKIZXQN-OLNRIVSGSA-N 1 2 270.314 -1.638 20 0 CAADLO O=C(N[C@H]1SC(=O)NC1=O)[C@H]1COC2(C[NH2+]C2)CN1 ZINC001219904164 780275727 /nfs/dbraw/zinc/27/57/27/780275727.db2.gz SNFKHIFSXCZSJG-XRGYYRRGSA-N 1 2 286.313 -2.258 20 0 CAADLO Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N[C@H]1SC(=O)[N-]C1=O ZINC001219904084 780275925 /nfs/dbraw/zinc/27/59/25/780275925.db2.gz PODBANDMNVNWHY-RCOVLWMOSA-N 1 2 283.313 -1.285 20 0 CAADLO O=C(C[NH2+]C1CC[NH2+]CC1)N[C@H]1SC(=O)[N-]C1=O ZINC001219904429 780277085 /nfs/dbraw/zinc/27/70/85/780277085.db2.gz WCYFPFNLVFTJQW-VIFPVBQESA-N 1 2 272.330 -1.247 20 0 CAADLO O=C(C[NH2+]C1CC[NH2+]CC1)N[C@@H]1SC(=O)[N-]C1=O ZINC001219904428 780277645 /nfs/dbraw/zinc/27/76/45/780277645.db2.gz WCYFPFNLVFTJQW-SECBINFHSA-N 1 2 272.330 -1.247 20 0 CAADLO CC(C)(C)C(=O)CNC(=O)[C@@H]([NH3+])Cc1nn[nH]n1 ZINC001219943757 780278252 /nfs/dbraw/zinc/27/82/52/780278252.db2.gz XSGQOKDULXUTBX-LURJTMIESA-N 1 2 254.294 -1.199 20 0 CAADLO COC(=O)[C@@H]1C[C@@H](NC(=O)[C@@H]2CNC(=O)N2)C[NH2+]1 ZINC001219965735 780284811 /nfs/dbraw/zinc/28/48/11/780284811.db2.gz YZTNOKCWRABHKC-VQVTYTSYSA-N 1 2 256.262 -2.313 20 0 CAADLO COC(=O)[C@@H]1C[C@@H](NC(=O)[C@H](N)C(F)(F)F)C[NH2+]1 ZINC001219965762 780285341 /nfs/dbraw/zinc/28/53/41/780285341.db2.gz ZORXRVXTBRQUCO-SRQIZXRXSA-N 1 2 269.223 -1.104 20 0 CAADLO [NH3+][C@@H](Cc1nn[nH]n1)C(=O)NC[C@@H]1CCCCO1 ZINC001219978982 780286175 /nfs/dbraw/zinc/28/61/75/780286175.db2.gz XGFZTMRIBPMURL-YUMQZZPRSA-N 1 2 254.294 -1.245 20 0 CAADLO COCC1(C(=O)N[C@@H]2C[N@H+](CC(=O)N(C)C)C[C@@H]2O)CC1 ZINC001220004207 780288274 /nfs/dbraw/zinc/28/82/74/780288274.db2.gz HIUFXRKUENRKDM-MNOVXSKESA-N 1 2 299.371 -1.338 20 0 CAADLO COCC1(C(=O)N[C@@H]2C[N@@H+](CC(=O)N(C)C)C[C@@H]2O)CC1 ZINC001220004207 780288278 /nfs/dbraw/zinc/28/82/78/780288278.db2.gz HIUFXRKUENRKDM-MNOVXSKESA-N 1 2 299.371 -1.338 20 0 CAADLO CC[C@@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)C2(COC)CC2)[C@@H](O)C1 ZINC001220007475 780289878 /nfs/dbraw/zinc/28/98/78/780289878.db2.gz XBHQSDIMUDJJCT-VWYCJHECSA-N 1 2 299.371 -1.162 20 0 CAADLO CC[C@@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)C2(COC)CC2)[C@@H](O)C1 ZINC001220007475 780289884 /nfs/dbraw/zinc/28/98/84/780289884.db2.gz XBHQSDIMUDJJCT-VWYCJHECSA-N 1 2 299.371 -1.162 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)CCc2ccon2)[C@@H](O)C1 ZINC001220012504 780292081 /nfs/dbraw/zinc/29/20/81/780292081.db2.gz FSZYIOUDWHFDGN-IEBDPFPHSA-N 1 2 296.327 -1.358 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)CCc2ccon2)[C@@H](O)C1 ZINC001220012504 780292089 /nfs/dbraw/zinc/29/20/89/780292089.db2.gz FSZYIOUDWHFDGN-IEBDPFPHSA-N 1 2 296.327 -1.358 20 0 CAADLO [NH3+][C@@H](Cc1nn[nH]n1)C(=O)NC1(CO)CCOCC1 ZINC001220015099 780292165 /nfs/dbraw/zinc/29/21/65/780292165.db2.gz AHLRXTPYMXWACE-ZETCQYMHSA-N 1 2 270.293 -2.273 20 0 CAADLO COC(=O)[C@@H]([NH3+])CC(=O)N[C@@](C)(C(N)=O)C(C)C ZINC001220022572 780292902 /nfs/dbraw/zinc/29/29/02/780292902.db2.gz IGEORZVSYUFTRI-WRWORJQWSA-N 1 2 259.306 -1.107 20 0 CAADLO COC(=O)[C@@H]([NH3+])CC(=O)N[C@](C)(C(N)=O)C(C)C ZINC001220022571 780293138 /nfs/dbraw/zinc/29/31/38/780293138.db2.gz IGEORZVSYUFTRI-CPCISQLKSA-N 1 2 259.306 -1.107 20 0 CAADLO [NH3+][C@@H](Cc1nn[nH]n1)C(=O)NCc1ccncc1F ZINC001220035327 780295373 /nfs/dbraw/zinc/29/53/73/780295373.db2.gz BLUFFJSWFWDSED-QMMMGPOBSA-N 1 2 265.252 -1.080 20 0 CAADLO C[C@H]([NH3+])C(=O)N1[C@H](C(=O)NCc2nn[nH]n2)COC1(C)C ZINC001220073451 780299485 /nfs/dbraw/zinc/29/94/85/780299485.db2.gz GRGHLHSXIGOSMO-BQBZGAKWSA-N 1 2 297.319 -1.873 20 0 CAADLO CNS(=O)(=O)NCC(=O)N[C@@H]1C[N@H+](CCF)C[C@@H]1O ZINC001220073799 780300366 /nfs/dbraw/zinc/30/03/66/780300366.db2.gz MVJJQEBTFGATRQ-SFYZADRCSA-N 1 2 298.340 -2.829 20 0 CAADLO CNS(=O)(=O)NCC(=O)N[C@@H]1C[N@@H+](CCF)C[C@@H]1O ZINC001220073799 780300368 /nfs/dbraw/zinc/30/03/68/780300368.db2.gz MVJJQEBTFGATRQ-SFYZADRCSA-N 1 2 298.340 -2.829 20 0 CAADLO Cn1cncc1C[C@H]([NH3+])C(=O)NCc1nn[nH]n1 ZINC001220074175 780301324 /nfs/dbraw/zinc/30/13/24/780301324.db2.gz QDZMQETZIQJBJS-ZETCQYMHSA-N 1 2 250.266 -1.881 20 0 CAADLO C[C@H]1[C@H](NC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)C(=O)N1S(=O)(=O)[O-] ZINC001220099447 780302277 /nfs/dbraw/zinc/30/22/77/780302277.db2.gz MTCSOUQAKLROSY-VZFHVOOUSA-N 1 2 292.317 -2.806 20 0 CAADLO CNC(=O)CN1C[C@@H](NC(=O)CCn2cc[nH+]c2)[C@@H](O)C1 ZINC001220102299 780302666 /nfs/dbraw/zinc/30/26/66/780302666.db2.gz RRDSEFXWGPGRHJ-MNOVXSKESA-N 1 2 295.343 -1.820 20 0 CAADLO CCOC(=O)C(F)(F)CNC(=O)[C@@H]([NH3+])Cc1nn[nH]n1 ZINC001220097203 780302982 /nfs/dbraw/zinc/30/29/82/780302982.db2.gz SGRGNVVJBOQKEI-YFKPBYRVSA-N 1 2 292.246 -1.616 20 0 CAADLO C[C@@H](C(N)=O)N1C[C@@H](NC(=O)CCn2cc[nH+]c2)[C@@H](O)C1 ZINC001220103860 780303814 /nfs/dbraw/zinc/30/38/14/780303814.db2.gz MFRBSVVFWLHAOC-AXFHLTTASA-N 1 2 295.343 -1.692 20 0 CAADLO COC(=O)[C@H](CCC(=O)[O-])NC(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1 ZINC001220104582 780303855 /nfs/dbraw/zinc/30/38/55/780303855.db2.gz IPOWJHKVBNMIKB-CSMHCCOUSA-N 1 2 273.289 -1.802 20 0 CAADLO COC(=O)[C@H](CCC(=O)[O-])NC(=O)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220104972 780304521 /nfs/dbraw/zinc/30/45/21/780304521.db2.gz QOHDIIGLWRIUHQ-ZDMBXUJBSA-N 1 2 299.327 -1.540 20 0 CAADLO NC(=O)CN1C[C@@H](NC(=O)CCn2cc[nH+]c2)[C@@H](O)C1 ZINC001220104099 780304553 /nfs/dbraw/zinc/30/45/53/780304553.db2.gz XEGUOTAMTPBGID-ZJUUUORDSA-N 1 2 281.316 -2.080 20 0 CAADLO Cc1cnc(=O)[nH]c1NC(=O)[C@@H]([NH3+])Cc1nn[nH]n1 ZINC001220123169 780308406 /nfs/dbraw/zinc/30/84/06/780308406.db2.gz YCDKSXKZAASPAP-YFKPBYRVSA-N 1 2 264.249 -1.488 20 0 CAADLO COC(=O)[C@@H]([NH3+])CC(=O)NC1CN(S(C)(=O)=O)C1 ZINC001220145585 780310753 /nfs/dbraw/zinc/31/07/53/780310753.db2.gz HSNAEKXYJAFGML-ZETCQYMHSA-N 1 2 279.318 -2.363 20 0 CAADLO [NH3+][C@@H](Cc1nn[nH]n1)C(=O)NC1CC(CO)(CO)C1 ZINC001220151869 780312624 /nfs/dbraw/zinc/31/26/24/780312624.db2.gz KRINWPZAIJCUHL-ZETCQYMHSA-N 1 2 270.293 -2.681 20 0 CAADLO [NH3+][C@@H](Cc1nn[nH]n1)C(=O)N[C@H]1COCCC12OCCO2 ZINC001220170758 780313587 /nfs/dbraw/zinc/31/35/87/780313587.db2.gz SXUBMCNAKSNSNN-YUMQZZPRSA-N 1 2 298.303 -2.282 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)CCCF)[C@@H](O)C1 ZINC001220154977 780314208 /nfs/dbraw/zinc/31/42/08/780314208.db2.gz RTJHNUOBZUOBOM-YIZRAAEISA-N 1 2 261.297 -1.229 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)CCCF)[C@@H](O)C1 ZINC001220154977 780314214 /nfs/dbraw/zinc/31/42/14/780314214.db2.gz RTJHNUOBZUOBOM-YIZRAAEISA-N 1 2 261.297 -1.229 20 0 CAADLO COC(=O)[C@@H]([NH3+])CC(=O)NC(=N)c1nccc(OC)n1 ZINC001220183523 780318318 /nfs/dbraw/zinc/31/83/18/780318318.db2.gz RHJHLKLGGROFTA-LURJTMIESA-N 1 2 281.272 -1.183 20 0 CAADLO CC1(C)C[C@@H](CNC(=O)[C@@H]([NH3+])Cc2nn[nH]n2)O1 ZINC001220200804 780318737 /nfs/dbraw/zinc/31/87/37/780318737.db2.gz VPNMGRCLHYFVKP-BQBZGAKWSA-N 1 2 254.294 -1.247 20 0 CAADLO [NH3+][C@@H](Cc1nn[nH]n1)C(=O)NC[C@@H]1CNC(=O)C1 ZINC001220202533 780320365 /nfs/dbraw/zinc/32/03/65/780320365.db2.gz FJKDHOKOFPISSC-WDSKDSINSA-N 1 2 253.266 -2.678 20 0 CAADLO NC(=O)C(=O)N[C@@H]1C[N@H+](C[C@H](O)CC(F)(F)F)C[C@@H]1O ZINC001220242890 780323240 /nfs/dbraw/zinc/32/32/40/780323240.db2.gz FKBSPOLHWPELNI-QYNIQEEDSA-N 1 2 299.249 -2.054 20 0 CAADLO NC(=O)C(=O)N[C@@H]1C[N@@H+](C[C@H](O)CC(F)(F)F)C[C@@H]1O ZINC001220242890 780323245 /nfs/dbraw/zinc/32/32/45/780323245.db2.gz FKBSPOLHWPELNI-QYNIQEEDSA-N 1 2 299.249 -2.054 20 0 CAADLO NC(=O)C1(C(=O)N[C@@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@@H]2O)CC1 ZINC001220245525 780324521 /nfs/dbraw/zinc/32/45/21/780324521.db2.gz FHFVFGRMUNQXGD-VGMNWLOBSA-N 1 2 296.327 -2.698 20 0 CAADLO NC(=O)C1(C(=O)N[C@@H]2C[N@H+]([C@H]3CCNC3=O)C[C@@H]2O)CC1 ZINC001220245525 780324524 /nfs/dbraw/zinc/32/45/24/780324524.db2.gz FHFVFGRMUNQXGD-VGMNWLOBSA-N 1 2 296.327 -2.698 20 0 CAADLO CN1C[C@@H](CNC(=O)[C@@H]([NH3+])Cc2nn[nH]n2)CC1=O ZINC001220245574 780325158 /nfs/dbraw/zinc/32/51/58/780325158.db2.gz UJZYVKPGHIKACU-RQJHMYQMSA-N 1 2 267.293 -2.336 20 0 CAADLO [NH3+][C@@H](Cc1nn[nH]n1)C(=O)NCCc1cnccn1 ZINC001220243473 780325274 /nfs/dbraw/zinc/32/52/74/780325274.db2.gz UEQOUECDZWGITF-QMMMGPOBSA-N 1 2 262.277 -1.782 20 0 CAADLO CN1C[C@H](CNC(=O)[C@@H]([NH3+])Cc2nn[nH]n2)CC1=O ZINC001220245573 780325662 /nfs/dbraw/zinc/32/56/62/780325662.db2.gz UJZYVKPGHIKACU-BQBZGAKWSA-N 1 2 267.293 -2.336 20 0 CAADLO O=C(NCc1n[nH]c(=O)[nH]1)[C@@H]1COC2(C[NH2+]C2)CN1 ZINC001220251676 780326383 /nfs/dbraw/zinc/32/63/83/780326383.db2.gz BJHUVBLGSZKYLS-LURJTMIESA-N 1 2 268.277 -2.543 20 0 CAADLO [NH3+]CC(=O)N1CCC[C@H]1C(=O)NCc1n[nH]c(=O)[nH]1 ZINC001220252301 780326562 /nfs/dbraw/zinc/32/65/62/780326562.db2.gz VGUHGEGYBMVDDU-LURJTMIESA-N 1 2 268.277 -1.924 20 0 CAADLO CC(=O)N[C@@H](CCCC[NH3+])C(=O)NCc1n[nH]c(=O)[nH]1 ZINC001220252141 780326927 /nfs/dbraw/zinc/32/69/27/780326927.db2.gz PDPANPFCTPYVBJ-QMMMGPOBSA-N 1 2 284.320 -1.240 20 0 CAADLO CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)NCc1n[nH]c(=O)[nH]1 ZINC001220251748 780327143 /nfs/dbraw/zinc/32/71/43/780327143.db2.gz DGWNRIZMFZGNON-RCOVLWMOSA-N 1 2 284.320 -1.384 20 0 CAADLO CS(=O)(=O)N(CC[NH3+])CC(=O)NCc1n[nH]c(=O)[nH]1 ZINC001220251900 780327423 /nfs/dbraw/zinc/32/74/23/780327423.db2.gz JGNBPUBEPVGGBZ-UHFFFAOYSA-N 1 2 292.321 -2.653 20 0 CAADLO COC(C)(CNC(=O)[C@@H]([NH3+])Cc1nn[nH]n1)OC ZINC001220509255 780356310 /nfs/dbraw/zinc/35/63/10/780356310.db2.gz QBMHIZXXYWFQMF-LURJTMIESA-N 1 2 258.282 -1.805 20 0 CAADLO [NH3+][C@@H](Cc1nn[nH]n1)C(=O)N[C@@H]1CCc2n[nH]cc2C1 ZINC001220261063 780328268 /nfs/dbraw/zinc/32/82/68/780328268.db2.gz PLLKZNMMOLAFHW-SFYZADRCSA-N 1 2 276.304 -1.534 20 0 CAADLO CC1(C)OCC(NC(=O)[C@@H]([NH3+])Cc2nn[nH]n2)CO1 ZINC001220271028 780328632 /nfs/dbraw/zinc/32/86/32/780328632.db2.gz QKWUJSPSNIRRDX-ZETCQYMHSA-N 1 2 270.293 -1.663 20 0 CAADLO Nc1cccn(CC(=O)N[C@@H](CO)Cc2c[nH]c[nH+]2)c1=O ZINC001220290763 780331710 /nfs/dbraw/zinc/33/17/10/780331710.db2.gz DIRDMTGWUOKHQG-SNVBAGLBSA-N 1 2 291.311 -1.127 20 0 CAADLO Nc1cccn(CC(=O)N[C@@H](CO)Cc2c[nH+]c[nH]2)c1=O ZINC001220290763 780331715 /nfs/dbraw/zinc/33/17/15/780331715.db2.gz DIRDMTGWUOKHQG-SNVBAGLBSA-N 1 2 291.311 -1.127 20 0 CAADLO C[C@H](NC(=O)[C@@H]([NH3+])Cc1nn[nH]n1)c1cnn(C)c1 ZINC001220308901 780333584 /nfs/dbraw/zinc/33/35/84/780333584.db2.gz RBHGBWJNGBAZLC-XPUUQOCRSA-N 1 2 264.293 -1.320 20 0 CAADLO [NH3+][C@@H](Cc1nn[nH]n1)C(=O)NC[C@@H]1CNC(=O)CO1 ZINC001220315624 780335691 /nfs/dbraw/zinc/33/56/91/780335691.db2.gz GDJGCYVJXCOWLZ-WDSKDSINSA-N 1 2 269.265 -3.299 20 0 CAADLO COC(=O)[C@@H]([NH3+])CC(=O)NC[C@@H]1CNC(=O)CO1 ZINC001220316803 780336220 /nfs/dbraw/zinc/33/62/20/780336220.db2.gz SWXYYUDSEXZHNL-RQJHMYQMSA-N 1 2 259.262 -2.492 20 0 CAADLO COC(=O)[C@@H]([NH3+])CC(=O)NC[C@H]1CNC(=O)CO1 ZINC001220316801 780336856 /nfs/dbraw/zinc/33/68/56/780336856.db2.gz SWXYYUDSEXZHNL-BQBZGAKWSA-N 1 2 259.262 -2.492 20 0 CAADLO [NH3+][C@@H](Cc1nn[nH]n1)C(=O)N[C@H]1CC12CCOCC2 ZINC001220329268 780337561 /nfs/dbraw/zinc/33/75/61/780337561.db2.gz KLYQSUXBBZLGHS-YUMQZZPRSA-N 1 2 266.305 -1.245 20 0 CAADLO CN1CCOC[C@H]1CNC(=O)[C@@H]([NH3+])Cc1nn[nH]n1 ZINC001220381986 780342733 /nfs/dbraw/zinc/34/27/33/780342733.db2.gz OSXKWTAWEKEKQJ-SFYZADRCSA-N 1 2 269.309 -2.484 20 0 CAADLO C[C@H](O)C[N@H+]1C[C@@H](NC(=O)CCc2cnn[nH]2)[C@@H](O)C1 ZINC001220389565 780343262 /nfs/dbraw/zinc/34/32/62/780343262.db2.gz PTDSOFMPDOSVDX-GDPRMGEGSA-N 1 2 283.332 -1.721 20 0 CAADLO C[C@H](O)C[N@@H+]1C[C@@H](NC(=O)CCc2cnn[nH]2)[C@@H](O)C1 ZINC001220389565 780343270 /nfs/dbraw/zinc/34/32/70/780343270.db2.gz PTDSOFMPDOSVDX-GDPRMGEGSA-N 1 2 283.332 -1.721 20 0 CAADLO CO[C@@H](C)C[N@H+]1C[C@@H](NC(=O)CCc2cnn[nH]2)[C@@H](O)C1 ZINC001220389574 780344301 /nfs/dbraw/zinc/34/43/01/780344301.db2.gz QCWQDZKZDHMJGI-WCQGTBRESA-N 1 2 297.359 -1.067 20 0 CAADLO CO[C@@H](C)C[N@@H+]1C[C@@H](NC(=O)CCc2cnn[nH]2)[C@@H](O)C1 ZINC001220389574 780344305 /nfs/dbraw/zinc/34/43/05/780344305.db2.gz QCWQDZKZDHMJGI-WCQGTBRESA-N 1 2 297.359 -1.067 20 0 CAADLO Cn1c(=O)cc(NC(=O)[C@@H]([NH3+])Cc2nn[nH]n2)[nH]c1=O ZINC001220424655 780346167 /nfs/dbraw/zinc/34/61/67/780346167.db2.gz OKUKFWSNTWOTNV-BYPYZUCNSA-N 1 2 280.248 -2.493 20 0 CAADLO COC(=O)[C@@H]1CC[C@H](NC(=O)[C@@H]([NH3+])Cc2nn[nH]n2)C1 ZINC001220405925 780347023 /nfs/dbraw/zinc/34/70/23/780347023.db2.gz GRVNETOJXGVMNG-CSMHCCOUSA-N 1 2 282.304 -1.473 20 0 CAADLO [NH3+][C@@H](Cc1nnn[n-]1)C(=O)NC1CC[NH+](CCF)CC1 ZINC001220436573 780350023 /nfs/dbraw/zinc/35/00/23/780350023.db2.gz XIBARSZORIPYKA-VIFPVBQESA-N 1 2 285.327 -1.380 20 0 CAADLO C[C@@H](CC(=O)N[C@@H]1CN(CC(N)=O)C[C@@H]1O)n1cc[nH+]c1 ZINC001220441848 780350038 /nfs/dbraw/zinc/35/00/38/780350038.db2.gz QGGXVGGSELRCKG-AXFHLTTASA-N 1 2 295.343 -1.519 20 0 CAADLO [NH3+][C@@H](Cc1nn[nH]n1)C(=O)Nc1[nH]c(=O)nc2nc[nH]c21 ZINC001220471115 780351162 /nfs/dbraw/zinc/35/11/62/780351162.db2.gz CXLXPBZJBRNOEL-VKHMYHEASA-N 1 2 290.247 -1.920 20 0 CAADLO CC(=O)OC[C@H]([NH3+])C(=O)Nc1[nH]c(=O)nc2nc[nH]c21 ZINC001220471598 780351959 /nfs/dbraw/zinc/35/19/59/780351959.db2.gz TWILMHQWAXGQAE-YFKPBYRVSA-N 1 2 280.244 -1.113 20 0 CAADLO CC(C)NC(=O)[C@@H](NC(=O)[C@@H]([NH3+])Cc1nn[nH]n1)C(C)C ZINC001220462445 780352203 /nfs/dbraw/zinc/35/22/03/780352203.db2.gz CTUQLJDHVKBKDT-WPRPVWTQSA-N 1 2 297.363 -1.265 20 0 CAADLO CNC(=O)C[N@H+]1C[C@@H](NC(=O)CC(=O)N(C)C)[C@@H](O)C1 ZINC001220502883 780355215 /nfs/dbraw/zinc/35/52/15/780355215.db2.gz UFVPFCBXMOVQGN-BDAKNGLRSA-N 1 2 286.332 -2.628 20 0 CAADLO CNC(=O)C[N@@H+]1C[C@@H](NC(=O)CC(=O)N(C)C)[C@@H](O)C1 ZINC001220502883 780355227 /nfs/dbraw/zinc/35/52/27/780355227.db2.gz UFVPFCBXMOVQGN-BDAKNGLRSA-N 1 2 286.332 -2.628 20 0 CAADLO Cc1[nH][nH]c(=O)c1CCNC(=O)[C@@H]([NH3+])Cc1nn[nH]n1 ZINC001220493250 780355787 /nfs/dbraw/zinc/35/57/87/780355787.db2.gz XTGJSKSIXNVACG-ZETCQYMHSA-N 1 2 280.292 -1.834 20 0 CAADLO CN(C)C(=O)CC(=O)N[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@@H]1O ZINC001220502486 780355868 /nfs/dbraw/zinc/35/58/68/780355868.db2.gz KLZXCGKYVZRCHM-UTLUCORTSA-N 1 2 298.343 -2.486 20 0 CAADLO CN(C)C(=O)CC(=O)N[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@@H]1O ZINC001220502486 780355878 /nfs/dbraw/zinc/35/58/78/780355878.db2.gz KLZXCGKYVZRCHM-UTLUCORTSA-N 1 2 298.343 -2.486 20 0 CAADLO COC(=O)c1ncc(=O)[nH]c1NC(=O)[C@@H]1COCC[NH2+]1 ZINC001220514381 780357304 /nfs/dbraw/zinc/35/73/04/780357304.db2.gz JMCQPWYKJMCRHR-LURJTMIESA-N 1 2 282.256 -1.104 20 0 CAADLO CN(C)C(=O)CC(=O)N[C@@H]1C[N@H+](CCF)C[C@@H]1O ZINC001220508372 780357505 /nfs/dbraw/zinc/35/75/05/780357505.db2.gz JENIJUMQPIFOOU-BDAKNGLRSA-N 1 2 261.297 -1.405 20 0 CAADLO CN(C)C(=O)CC(=O)N[C@@H]1C[N@@H+](CCF)C[C@@H]1O ZINC001220508372 780357512 /nfs/dbraw/zinc/35/75/12/780357512.db2.gz JENIJUMQPIFOOU-BDAKNGLRSA-N 1 2 261.297 -1.405 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)CCc2cn[nH]c2)[C@@H](O)C1 ZINC001220518814 780359947 /nfs/dbraw/zinc/35/99/47/780359947.db2.gz NUTFNNDBRGUQCN-IEBDPFPHSA-N 1 2 295.343 -1.623 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)CCc2cn[nH]c2)[C@@H](O)C1 ZINC001220518814 780359955 /nfs/dbraw/zinc/35/99/55/780359955.db2.gz NUTFNNDBRGUQCN-IEBDPFPHSA-N 1 2 295.343 -1.623 20 0 CAADLO C[C@H](O)CCC[N@H+]1C[C@@H](NC(=O)c2nc[nH]n2)[C@@H](O)C1 ZINC001220573301 780365185 /nfs/dbraw/zinc/36/51/85/780365185.db2.gz TVXYGKQNYLBZTR-AEJSXWLSSA-N 1 2 283.332 -1.259 20 0 CAADLO C[C@H](O)CCC[N@@H+]1C[C@@H](NC(=O)c2nc[nH]n2)[C@@H](O)C1 ZINC001220573301 780365196 /nfs/dbraw/zinc/36/51/96/780365196.db2.gz TVXYGKQNYLBZTR-AEJSXWLSSA-N 1 2 283.332 -1.259 20 0 CAADLO CC(C)(O)CCCNC(=O)[C@@H]([NH3+])Cc1nn[nH]n1 ZINC001220573555 780365526 /nfs/dbraw/zinc/36/55/26/780365526.db2.gz OFLNMRXCMCSPLS-ZETCQYMHSA-N 1 2 256.310 -1.263 20 0 CAADLO COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)c2nnc[nH]2)[C@@H](O)C1 ZINC001220573111 780365694 /nfs/dbraw/zinc/36/56/94/780365694.db2.gz QEBVLQAKOGYTNM-HLTSFMKQSA-N 1 2 285.304 -2.413 20 0 CAADLO COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)c2nnc[nH]2)[C@@H](O)C1 ZINC001220573111 780365705 /nfs/dbraw/zinc/36/57/05/780365705.db2.gz QEBVLQAKOGYTNM-HLTSFMKQSA-N 1 2 285.304 -2.413 20 0 CAADLO COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)c2ncn[nH]2)[C@@H](O)C1 ZINC001220573111 780365717 /nfs/dbraw/zinc/36/57/17/780365717.db2.gz QEBVLQAKOGYTNM-HLTSFMKQSA-N 1 2 285.304 -2.413 20 0 CAADLO COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)c2ncn[nH]2)[C@@H](O)C1 ZINC001220573111 780365726 /nfs/dbraw/zinc/36/57/26/780365726.db2.gz QEBVLQAKOGYTNM-HLTSFMKQSA-N 1 2 285.304 -2.413 20 0 CAADLO COC(=O)[C@H](NC(=O)[C@@H]([NH3+])Cc1nn[nH]n1)C(F)(F)F ZINC001220587382 780368221 /nfs/dbraw/zinc/36/82/21/780368221.db2.gz CJZGKADEDJNTSX-UCORVYFPSA-N 1 2 296.209 -1.710 20 0 CAADLO COC(=O)[C@@H]([NH3+])CC(=O)N[C@H]1CCCN(C)C1=O ZINC001220589894 780369950 /nfs/dbraw/zinc/36/99/50/780369950.db2.gz GKDGSHKXXYBHPG-YUMQZZPRSA-N 1 2 257.290 -1.386 20 0 CAADLO O=C(CCn1cnnn1)N[C@@H]1C[N@@H+](CCF)C[C@@H]1O ZINC001220606145 780372105 /nfs/dbraw/zinc/37/21/05/780372105.db2.gz HMRYZKDTJVWOOY-BDAKNGLRSA-N 1 2 272.284 -1.806 20 0 CAADLO O=C(CCn1cnnn1)N[C@@H]1C[N@H+](CCF)C[C@@H]1O ZINC001220606145 780372109 /nfs/dbraw/zinc/37/21/09/780372109.db2.gz HMRYZKDTJVWOOY-BDAKNGLRSA-N 1 2 272.284 -1.806 20 0 CAADLO [NH3+][C@@H](Cc1nn[nH]n1)C(=O)NCC1Oc2ccccc2O1 ZINC001220708778 780372990 /nfs/dbraw/zinc/37/29/90/780372990.db2.gz HCSYNWIFJPUWOT-ZETCQYMHSA-N 1 2 290.283 -1.017 20 0 CAADLO CC(C)(C)NC(=O)CCNC(=O)[C@@H]([NH3+])Cc1nn[nH]n1 ZINC001220709245 780374684 /nfs/dbraw/zinc/37/46/84/780374684.db2.gz URROVVBRZBRAPO-ZETCQYMHSA-N 1 2 283.336 -1.510 20 0 CAADLO CC(=O)NC[C@H](C)CNC(=O)[C@@H]([NH3+])Cc1nn[nH]n1 ZINC001220756345 780377721 /nfs/dbraw/zinc/37/77/21/780377721.db2.gz BNIOMUMBGIFNIN-XPUUQOCRSA-N 1 2 269.309 -2.042 20 0 CAADLO COC(=O)[C@@H]([NH3+])CC(=O)NC[C@H](C)CNC(C)=O ZINC001220756837 780378842 /nfs/dbraw/zinc/37/88/42/780378842.db2.gz LMVSTWVPNKLPBT-APPZFPTMSA-N 1 2 259.306 -1.235 20 0 CAADLO CC1(C)[C@H](O)C[C@H]1NC(=O)[C@@H]([NH3+])Cc1nn[nH]n1 ZINC001220766479 780379570 /nfs/dbraw/zinc/37/95/70/780379570.db2.gz SZHVHWFTUULZFQ-RRKCRQDMSA-N 1 2 254.294 -1.655 20 0 CAADLO CC1(C)[C@H](NC(=O)[C@@H]([NH3+])Cc2nn[nH]n2)C[C@@H]1O ZINC001220766480 780380011 /nfs/dbraw/zinc/38/00/11/780380011.db2.gz SZHVHWFTUULZFQ-XVMARJQXSA-N 1 2 254.294 -1.655 20 0 CAADLO CC1(C)[C@@H](O)C[C@@H]1NC(=O)[C@@H]([NH3+])Cc1nn[nH]n1 ZINC001220766477 780380772 /nfs/dbraw/zinc/38/07/72/780380772.db2.gz SZHVHWFTUULZFQ-ACZMJKKPSA-N 1 2 254.294 -1.655 20 0 CAADLO CSCC[C@H](NC(=O)[C@@H]([NH3+])Cc1nn[nH]n1)C(N)=O ZINC001220840817 780386782 /nfs/dbraw/zinc/38/67/82/780386782.db2.gz WOEJNNBAMGBURL-WDSKDSINSA-N 1 2 287.349 -2.207 20 0 CAADLO [NH3+][C@@H](Cc1nnn[n-]1)C(=O)NCCN1CC[NH2+]CC1=O ZINC001220872070 780388544 /nfs/dbraw/zinc/38/85/44/780388544.db2.gz JCGGTUBQVZTXKS-ZETCQYMHSA-N 1 2 282.308 -3.383 20 0 CAADLO CCOC(=O)C1(NC(=O)[C@@H]2C[C@H]([NH3+])C[NH2+]2)C[NH2+]C1 ZINC001220851184 780388615 /nfs/dbraw/zinc/38/86/15/780388615.db2.gz LHBXAGZVINTAJA-YUMQZZPRSA-N 1 2 256.306 -2.303 20 0 CAADLO COC(=O)[C@@H]([NH3+])CC(=O)NC[C@@H]1C[C@@H]1C(=O)OC ZINC001220881061 780393337 /nfs/dbraw/zinc/39/33/37/780393337.db2.gz BOVFIDIVIAYIKO-FXQIFTODSA-N 1 2 258.274 -1.198 20 0 CAADLO COC(=O)[C@@H]([NH3+])CC(=O)NC[C@@H]1C[C@H]1C(=O)OC ZINC001220881063 780393639 /nfs/dbraw/zinc/39/36/39/780393639.db2.gz BOVFIDIVIAYIKO-RNJXMRFFSA-N 1 2 258.274 -1.198 20 0 CAADLO NC(=O)NCCC(=O)N[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@@H]1O ZINC001220938492 780397937 /nfs/dbraw/zinc/39/79/37/780397937.db2.gz WGLAWNRWUMCABH-VGMNWLOBSA-N 1 2 299.331 -2.905 20 0 CAADLO NC(=O)NCCC(=O)N[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@@H]1O ZINC001220938492 780397947 /nfs/dbraw/zinc/39/79/47/780397947.db2.gz WGLAWNRWUMCABH-VGMNWLOBSA-N 1 2 299.331 -2.905 20 0 CAADLO Cc1nnc(CNC(=O)[C@@H]([NH3+])Cc2nn[nH]n2)o1 ZINC001221010802 780401841 /nfs/dbraw/zinc/40/18/41/780401841.db2.gz QREYODKAHKWLPA-YFKPBYRVSA-N 1 2 252.238 -1.923 20 0 CAADLO C[C@@H]1C[C@H](NC(=O)[C@@H]([NH3+])Cc2nn[nH]n2)CCO1 ZINC001221008280 780401954 /nfs/dbraw/zinc/40/19/54/780401954.db2.gz PXIVWNNRCVVUAG-PRJMDXOYSA-N 1 2 254.294 -1.247 20 0 CAADLO C[C@H]1C[C@H](NC(=O)[C@@H]([NH3+])Cc2nn[nH]n2)CCO1 ZINC001221008281 780402123 /nfs/dbraw/zinc/40/21/23/780402123.db2.gz PXIVWNNRCVVUAG-RNJXMRFFSA-N 1 2 254.294 -1.247 20 0 CAADLO COC[C@@H](NC(=O)[C@@H]([NH3+])Cc1nn[nH]n1)C1CC1 ZINC001221013168 780402185 /nfs/dbraw/zinc/40/21/85/780402185.db2.gz MLPUSAOENJLVKX-JGVFFNPUSA-N 1 2 254.294 -1.389 20 0 CAADLO COC(=O)CC[C@H](NC(=O)[C@@H]1COCC[NH2+]1)C(N)=O ZINC001221018433 780402253 /nfs/dbraw/zinc/40/22/53/780402253.db2.gz CIIQLVYWHGESSD-YUMQZZPRSA-N 1 2 273.289 -2.102 20 0 CAADLO COC(=O)CC[C@H](NC(=O)[C@@H]([NH3+])Cc1nn[nH]n1)C(N)=O ZINC001221019335 780402775 /nfs/dbraw/zinc/40/27/75/780402775.db2.gz UCOIQPAFSZUDAP-WDSKDSINSA-N 1 2 299.291 -3.007 20 0 CAADLO CCS(=O)(=O)CC(=O)N[C@@H]1C[N@H+](CC2CC2)C[C@@H]1O ZINC001221085305 780403277 /nfs/dbraw/zinc/40/32/77/780403277.db2.gz HTUWNCMAQVWVBX-MNOVXSKESA-N 1 2 290.385 -1.008 20 0 CAADLO CCS(=O)(=O)CC(=O)N[C@@H]1C[N@@H+](CC2CC2)C[C@@H]1O ZINC001221085305 780403278 /nfs/dbraw/zinc/40/32/78/780403278.db2.gz HTUWNCMAQVWVBX-MNOVXSKESA-N 1 2 290.385 -1.008 20 0 CAADLO [NH3+][C@@H](Cc1nn[nH]n1)C(=O)NCc1cn(CC2CC2)cn1 ZINC001221023498 780403384 /nfs/dbraw/zinc/40/33/84/780403384.db2.gz NKHOKZWSYMORPR-JTQLQIEISA-N 1 2 290.331 -1.008 20 0 CAADLO COC(=O)CC[C@H](NC(=O)C[C@H]([NH3+])C(=O)OC)C(N)=O ZINC001221019183 780403505 /nfs/dbraw/zinc/40/35/05/780403505.db2.gz RMUIBMMWYOGUAG-BQBZGAKWSA-N 1 2 289.288 -2.200 20 0 CAADLO [NH3+][C@@H](Cc1nn[nH]n1)C(=O)NCc1ccnn1CCF ZINC001221106252 780404726 /nfs/dbraw/zinc/40/47/26/780404726.db2.gz RTSMTMPMMZKAOE-QMMMGPOBSA-N 1 2 282.283 -1.448 20 0 CAADLO CC(C)(C)[NH+]1CC(NC(=O)[C@@H]([NH3+])Cc2nnn[n-]2)C1 ZINC001221195079 780406961 /nfs/dbraw/zinc/40/69/61/780406961.db2.gz YDDQAWVILAPSGL-QMMMGPOBSA-N 1 2 267.337 -1.332 20 0 CAADLO CC(=O)N1C[C@H]2CC[N@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001221208937 780407367 /nfs/dbraw/zinc/40/73/67/780407367.db2.gz IHJFFTJESFEXPX-RKDXNWHRSA-N 1 2 254.290 -1.266 20 0 CAADLO CC(=O)N1C[C@H]2CC[N@@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001221208937 780407372 /nfs/dbraw/zinc/40/73/72/780407372.db2.gz IHJFFTJESFEXPX-RKDXNWHRSA-N 1 2 254.290 -1.266 20 0 CAADLO CCOCC(=O)N1C[C@H]2CC[N@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001221245246 780408716 /nfs/dbraw/zinc/40/87/16/780408716.db2.gz CWJQQGAUKNLDQF-NXEZZACHSA-N 1 2 298.343 -1.250 20 0 CAADLO CCOCC(=O)N1C[C@H]2CC[N@@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001221245246 780408718 /nfs/dbraw/zinc/40/87/18/780408718.db2.gz CWJQQGAUKNLDQF-NXEZZACHSA-N 1 2 298.343 -1.250 20 0 CAADLO [NH3+][C@@H](Cc1nn[nH]n1)C(=O)NC1=CC(=O)NCC1 ZINC001221314015 780414612 /nfs/dbraw/zinc/41/46/12/780414612.db2.gz GQASARNDOHFDDY-LURJTMIESA-N 1 2 251.250 -2.411 20 0 CAADLO CCCC(=O)NCC(=O)N1C[C@H]2CC[N@H+](CC(N)=O)C[C@H]21 ZINC001221379987 780418288 /nfs/dbraw/zinc/41/82/88/780418288.db2.gz PFDXDIKHSQXDTD-GHMZBOCLSA-N 1 2 296.371 -1.079 20 0 CAADLO CCCC(=O)NCC(=O)N1C[C@H]2CC[N@@H+](CC(N)=O)C[C@H]21 ZINC001221379987 780418289 /nfs/dbraw/zinc/41/82/89/780418289.db2.gz PFDXDIKHSQXDTD-GHMZBOCLSA-N 1 2 296.371 -1.079 20 0 CAADLO COC(=O)[C@@H]([NH3+])CC(=O)N[C@H]1CNC(=O)C1(C)C ZINC001221370095 780418494 /nfs/dbraw/zinc/41/84/94/780418494.db2.gz PAKBMUKBFFCVSO-BQBZGAKWSA-N 1 2 257.290 -1.482 20 0 CAADLO [NH3+][C@@H](Cc1nn[nH]n1)C(=O)NC[C@@H](CO)c1ccccc1 ZINC001221376404 780419455 /nfs/dbraw/zinc/41/94/55/780419455.db2.gz CVXWUJGIXFXVCP-QWRGUYRKSA-N 1 2 290.327 -1.038 20 0 CAADLO Cc1nc(CNC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CO)n[nH]1 ZINC001221405549 780420762 /nfs/dbraw/zinc/42/07/62/780420762.db2.gz AUVAZLPJRSCILL-FSPLSTOPSA-N 1 2 270.293 -2.446 20 0 CAADLO C[C@H](CC(=O)N1C[C@H]2CC[N@H+](CC(N)=O)C[C@H]21)NC(N)=O ZINC001221550876 780421610 /nfs/dbraw/zinc/42/16/10/780421610.db2.gz UPWZYTYACIPVGI-OPRDCNLKSA-N 1 2 297.359 -1.549 20 0 CAADLO C[C@H](CC(=O)N1C[C@H]2CC[N@@H+](CC(N)=O)C[C@H]21)NC(N)=O ZINC001221550876 780421615 /nfs/dbraw/zinc/42/16/15/780421615.db2.gz UPWZYTYACIPVGI-OPRDCNLKSA-N 1 2 297.359 -1.549 20 0 CAADLO CCC(=O)NCC(=O)N1C[C@H]2CC[N@H+](CC(=O)NC)C[C@H]21 ZINC001221444523 780421753 /nfs/dbraw/zinc/42/17/53/780421753.db2.gz BIJOBKSVIWSHNJ-GHMZBOCLSA-N 1 2 296.371 -1.209 20 0 CAADLO CCC(=O)NCC(=O)N1C[C@H]2CC[N@@H+](CC(=O)NC)C[C@H]21 ZINC001221444523 780421756 /nfs/dbraw/zinc/42/17/56/780421756.db2.gz BIJOBKSVIWSHNJ-GHMZBOCLSA-N 1 2 296.371 -1.209 20 0 CAADLO CNC(=O)NCC(=O)N1C[C@H]2CC[N@H+](CC(N)=O)C[C@H]21 ZINC001221597332 780421777 /nfs/dbraw/zinc/42/17/77/780421777.db2.gz XQEKCEFDDJDKDG-RKDXNWHRSA-N 1 2 283.332 -2.067 20 0 CAADLO CNC(=O)NCC(=O)N1C[C@H]2CC[N@@H+](CC(N)=O)C[C@H]21 ZINC001221597332 780421779 /nfs/dbraw/zinc/42/17/79/780421779.db2.gz XQEKCEFDDJDKDG-RKDXNWHRSA-N 1 2 283.332 -2.067 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)CNC(=O)NC)[C@@H]2C1 ZINC001221594971 780421801 /nfs/dbraw/zinc/42/18/01/780421801.db2.gz LQXWSDWTIPFLDC-NXEZZACHSA-N 1 2 297.359 -1.806 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)CNC(=O)NC)[C@@H]2C1 ZINC001221594971 780421804 /nfs/dbraw/zinc/42/18/04/780421804.db2.gz LQXWSDWTIPFLDC-NXEZZACHSA-N 1 2 297.359 -1.806 20 0 CAADLO C[C@@H](CC(=O)N1C[C@H]2CC[N@H+](CC(N)=O)C[C@H]21)NC(N)=O ZINC001221550875 780422118 /nfs/dbraw/zinc/42/21/18/780422118.db2.gz UPWZYTYACIPVGI-IVZWLZJFSA-N 1 2 297.359 -1.549 20 0 CAADLO C[C@@H](CC(=O)N1C[C@H]2CC[N@@H+](CC(N)=O)C[C@H]21)NC(N)=O ZINC001221550875 780422120 /nfs/dbraw/zinc/42/21/20/780422120.db2.gz UPWZYTYACIPVGI-IVZWLZJFSA-N 1 2 297.359 -1.549 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](COC)OC)[C@@H]2C1 ZINC001221804497 780423278 /nfs/dbraw/zinc/42/32/78/780423278.db2.gz KEFSUYRCHUIJQN-UTUOFQBUSA-N 1 2 299.371 -1.074 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H](COC)OC)[C@@H]2C1 ZINC001221804497 780423282 /nfs/dbraw/zinc/42/32/82/780423282.db2.gz KEFSUYRCHUIJQN-UTUOFQBUSA-N 1 2 299.371 -1.074 20 0 CAADLO C[C@H](C(=O)NC(N)=O)[N@@H+]1CC[C@@H]2CN(C(=O)C(N)=O)[C@@H]2C1 ZINC001221781327 780423550 /nfs/dbraw/zinc/42/35/50/780423550.db2.gz RYIKEZBALFIGJI-BWZBUEFSSA-N 1 2 297.315 -2.412 20 0 CAADLO C[C@H](C(=O)NC(N)=O)[N@H+]1CC[C@@H]2CN(C(=O)C(N)=O)[C@@H]2C1 ZINC001221781327 780423554 /nfs/dbraw/zinc/42/35/54/780423554.db2.gz RYIKEZBALFIGJI-BWZBUEFSSA-N 1 2 297.315 -2.412 20 0 CAADLO CC(C)(C)NC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C(N)=O)[C@@H]2C1 ZINC001221786312 780423564 /nfs/dbraw/zinc/42/35/64/780423564.db2.gz PPAUMQMLIQLFOV-NXEZZACHSA-N 1 2 296.371 -1.081 20 0 CAADLO CC(C)(C)NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C(N)=O)[C@@H]2C1 ZINC001221786312 780423567 /nfs/dbraw/zinc/42/35/67/780423567.db2.gz PPAUMQMLIQLFOV-NXEZZACHSA-N 1 2 296.371 -1.081 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)CC(N)=O)[C@@H]2C1 ZINC001221731647 780423614 /nfs/dbraw/zinc/42/36/14/780423614.db2.gz MWXNRCYMVXOQSE-HBNTYKKESA-N 1 2 296.371 -1.223 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)CC(N)=O)[C@@H]2C1 ZINC001221731647 780423617 /nfs/dbraw/zinc/42/36/17/780423617.db2.gz MWXNRCYMVXOQSE-HBNTYKKESA-N 1 2 296.371 -1.223 20 0 CAADLO C[C@H](CC(N)=O)C(=O)N1C[C@H]2CC[N@H+](CC(N)=O)C[C@H]21 ZINC001221736935 780423772 /nfs/dbraw/zinc/42/37/72/780423772.db2.gz IYWWDRFBUTYKIY-OPRDCNLKSA-N 1 2 282.344 -1.484 20 0 CAADLO C[C@H](CC(N)=O)C(=O)N1C[C@H]2CC[N@@H+](CC(N)=O)C[C@H]21 ZINC001221736935 780423775 /nfs/dbraw/zinc/42/37/75/780423775.db2.gz IYWWDRFBUTYKIY-OPRDCNLKSA-N 1 2 282.344 -1.484 20 0 CAADLO Cn1ncnc1C[NH+]1CCC(CNC(=O)C(N)=O)CC1 ZINC001224294689 780432322 /nfs/dbraw/zinc/43/23/22/780432322.db2.gz RJCCSTOHBXJEJD-UHFFFAOYSA-N 1 2 280.332 -1.371 20 0 CAADLO NC(=O)CN1CC[C@@H]1CNC(=O)Cc1c[nH]c[nH+]1 ZINC001276933727 780432395 /nfs/dbraw/zinc/43/23/95/780432395.db2.gz YSQWNZBQAINMAL-SECBINFHSA-N 1 2 251.290 -1.372 20 0 CAADLO Cn1ncnc1C[NH2+]C1(CNC(=O)[C@H]2CCNC2=O)CC1 ZINC001277132606 780442417 /nfs/dbraw/zinc/44/24/17/780442417.db2.gz FYVJQHZWAMKFJH-VIFPVBQESA-N 1 2 292.343 -1.310 20 0 CAADLO NC(=O)C(=O)NCC1([NH2+]Cc2nnc(C3CC3)[nH]2)CC1 ZINC001277157678 780445124 /nfs/dbraw/zinc/44/51/24/780445124.db2.gz HJRJDYKHIATSSV-UHFFFAOYSA-N 1 2 278.316 -1.094 20 0 CAADLO Cn1cc(C[NH+]2CCC(NC(=O)CC(N)=O)CC2)nn1 ZINC001226732329 780445198 /nfs/dbraw/zinc/44/51/98/780445198.db2.gz NZOOKWBKGGLQJB-UHFFFAOYSA-N 1 2 280.332 -1.229 20 0 CAADLO CN(C)C(=O)C[NH+]1CC2(C[C@@H]2C(=O)Nc2nnnn2C)C1 ZINC001277330110 780451882 /nfs/dbraw/zinc/45/18/82/780451882.db2.gz FFMCVCPHSKIKBV-MRVPVSSYSA-N 1 2 293.331 -1.441 20 0 CAADLO C[C@@H](C[C@H](C)NC(=O)C(N)=O)NC(=O)Cc1c[nH]c[nH+]1 ZINC001281450291 780454497 /nfs/dbraw/zinc/45/44/97/780454497.db2.gz YWFOLOJHMJZGTG-YUMQZZPRSA-N 1 2 281.316 -1.163 20 0 CAADLO Cn1nnnc1NC(=O)C12CC([NH2+]Cc3c[nH]nn3)(C1)C2 ZINC001277375290 780454807 /nfs/dbraw/zinc/45/48/07/780454807.db2.gz JLVXCIUFRUKVPX-UHFFFAOYSA-N 1 2 289.303 -1.021 20 0 CAADLO COCC(=O)N(C)C[C@H]1CC[N@@H+]1[C@H]1CCC(=O)NC1=O ZINC001230537147 780457954 /nfs/dbraw/zinc/45/79/54/780457954.db2.gz ACKNFUGMLRYZHV-ZJUUUORDSA-N 1 2 283.328 -1.029 20 0 CAADLO COCC(=O)N(C)C[C@H]1CC[N@H+]1[C@H]1CCC(=O)NC1=O ZINC001230537147 780457959 /nfs/dbraw/zinc/45/79/59/780457959.db2.gz ACKNFUGMLRYZHV-ZJUUUORDSA-N 1 2 283.328 -1.029 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)CNC(N)=O ZINC001230730382 780459024 /nfs/dbraw/zinc/45/90/24/780459024.db2.gz CNWQALJUMWSLLW-QMMMGPOBSA-N 1 2 271.321 -2.067 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)CNC(N)=O ZINC001230730382 780459026 /nfs/dbraw/zinc/45/90/26/780459026.db2.gz CNWQALJUMWSLLW-QMMMGPOBSA-N 1 2 271.321 -2.067 20 0 CAADLO CN(C[C@H]1CC[N@@H+]1[C@@H]1CCN(C)C1=O)C(=O)CNC(N)=O ZINC001230734220 780459190 /nfs/dbraw/zinc/45/91/90/780459190.db2.gz BOMMTIDBKVLPDH-NXEZZACHSA-N 1 2 297.359 -1.582 20 0 CAADLO CN(C[C@H]1CC[N@H+]1[C@@H]1CCN(C)C1=O)C(=O)CNC(N)=O ZINC001230734220 780459194 /nfs/dbraw/zinc/45/91/94/780459194.db2.gz BOMMTIDBKVLPDH-NXEZZACHSA-N 1 2 297.359 -1.582 20 0 CAADLO CC(=O)NCC(=O)N(C)C[C@@H]1CC[N@@H+]1[C@H]1CCN(C)C1=O ZINC001230642616 780459448 /nfs/dbraw/zinc/45/94/48/780459448.db2.gz VKJJHVZPEGPXFS-RYUDHWBXSA-N 1 2 296.371 -1.114 20 0 CAADLO CC(=O)NCC(=O)N(C)C[C@@H]1CC[N@H+]1[C@H]1CCN(C)C1=O ZINC001230642616 780459454 /nfs/dbraw/zinc/45/94/54/780459454.db2.gz VKJJHVZPEGPXFS-RYUDHWBXSA-N 1 2 296.371 -1.114 20 0 CAADLO CC(=O)NCC(=O)N(C)C[C@H]1CC[N@H+]1[C@H](C)C(N)=O ZINC001230627628 780459865 /nfs/dbraw/zinc/45/98/65/780459865.db2.gz FGZMEXNZPQASTO-PSASIEDQSA-N 1 2 270.333 -1.471 20 0 CAADLO CC(=O)NCC(=O)N(C)C[C@H]1CC[N@@H+]1[C@H](C)C(N)=O ZINC001230627628 780459871 /nfs/dbraw/zinc/45/98/71/780459871.db2.gz FGZMEXNZPQASTO-PSASIEDQSA-N 1 2 270.333 -1.471 20 0 CAADLO CN(C[C@@H]1CC[N@@H+]1[C@H]1CCN(C)C1=O)C(=O)CNC(N)=O ZINC001230734221 780460071 /nfs/dbraw/zinc/46/00/71/780460071.db2.gz BOMMTIDBKVLPDH-UWVGGRQHSA-N 1 2 297.359 -1.582 20 0 CAADLO CN(C[C@@H]1CC[N@H+]1[C@H]1CCN(C)C1=O)C(=O)CNC(N)=O ZINC001230734221 780460079 /nfs/dbraw/zinc/46/00/79/780460079.db2.gz BOMMTIDBKVLPDH-UWVGGRQHSA-N 1 2 297.359 -1.582 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+]1CC[C@H]1CN(C)C(=O)CNC(C)=O ZINC001230642563 780460160 /nfs/dbraw/zinc/46/01/60/780460160.db2.gz UTDUBYBKUUIGFF-ONGXEEELSA-N 1 2 284.360 -1.210 20 0 CAADLO CNC(=O)[C@H](C)[N@H+]1CC[C@H]1CN(C)C(=O)CNC(C)=O ZINC001230642563 780460165 /nfs/dbraw/zinc/46/01/65/780460165.db2.gz UTDUBYBKUUIGFF-ONGXEEELSA-N 1 2 284.360 -1.210 20 0 CAADLO CCCNC(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)CNC(N)=O ZINC001230731172 780460261 /nfs/dbraw/zinc/46/02/61/780460261.db2.gz RWKWOWISNKETQU-SNVBAGLBSA-N 1 2 299.375 -1.286 20 0 CAADLO CCCNC(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)CNC(N)=O ZINC001230731172 780460266 /nfs/dbraw/zinc/46/02/66/780460266.db2.gz RWKWOWISNKETQU-SNVBAGLBSA-N 1 2 299.375 -1.286 20 0 CAADLO CC[C@@H](C(N)=O)[N@@H+]1CC[C@@H]1CN(C)C(=O)Cn1cnnn1 ZINC001230753642 780460593 /nfs/dbraw/zinc/46/05/93/780460593.db2.gz YJAJADSKZNUTFF-ZJUUUORDSA-N 1 2 295.347 -1.530 20 0 CAADLO CC[C@@H](C(N)=O)[N@H+]1CC[C@@H]1CN(C)C(=O)Cn1cnnn1 ZINC001230753642 780460598 /nfs/dbraw/zinc/46/05/98/780460598.db2.gz YJAJADSKZNUTFF-ZJUUUORDSA-N 1 2 295.347 -1.530 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)CCn1cncn1 ZINC001230777262 780460886 /nfs/dbraw/zinc/46/08/86/780460886.db2.gz YZTDHESOTKPNCV-NSHDSACASA-N 1 2 294.359 -1.053 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)CCn1cncn1 ZINC001230777262 780460891 /nfs/dbraw/zinc/46/08/91/780460891.db2.gz YZTDHESOTKPNCV-NSHDSACASA-N 1 2 294.359 -1.053 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+]1CC[C@H]1CN(C)C(=O)CNC(N)=O ZINC001230734824 780460969 /nfs/dbraw/zinc/46/09/69/780460969.db2.gz IFWPHNCSBGOWKG-BDAKNGLRSA-N 1 2 285.348 -1.678 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+]1CC[C@H]1CN(C)C(=O)CNC(N)=O ZINC001230734824 780460970 /nfs/dbraw/zinc/46/09/70/780460970.db2.gz IFWPHNCSBGOWKG-BDAKNGLRSA-N 1 2 285.348 -1.678 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+]1CC[C@H]1CN(C)C(=O)CNC(N)=O ZINC001230734826 780460974 /nfs/dbraw/zinc/46/09/74/780460974.db2.gz IFWPHNCSBGOWKG-IUCAKERBSA-N 1 2 285.348 -1.678 20 0 CAADLO CNC(=O)[C@H](C)[N@H+]1CC[C@H]1CN(C)C(=O)CNC(N)=O ZINC001230734826 780460975 /nfs/dbraw/zinc/46/09/75/780460975.db2.gz IFWPHNCSBGOWKG-IUCAKERBSA-N 1 2 285.348 -1.678 20 0 CAADLO CN(C[C@@H]1CC[N@@H+]1[C@@H]1CCN(C)C1=O)C(=O)CNC(N)=O ZINC001230734222 780461119 /nfs/dbraw/zinc/46/11/19/780461119.db2.gz BOMMTIDBKVLPDH-VHSXEESVSA-N 1 2 297.359 -1.582 20 0 CAADLO CN(C[C@@H]1CC[N@H+]1[C@@H]1CCN(C)C1=O)C(=O)CNC(N)=O ZINC001230734222 780461123 /nfs/dbraw/zinc/46/11/23/780461123.db2.gz BOMMTIDBKVLPDH-VHSXEESVSA-N 1 2 297.359 -1.582 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)Cn1cnnn1 ZINC001230744443 780461238 /nfs/dbraw/zinc/46/12/38/780461238.db2.gz XXCGUYOJYRVBKM-SECBINFHSA-N 1 2 281.320 -2.048 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)Cn1cnnn1 ZINC001230744443 780461241 /nfs/dbraw/zinc/46/12/41/780461241.db2.gz XXCGUYOJYRVBKM-SECBINFHSA-N 1 2 281.320 -2.048 20 0 CAADLO CN(C[C@H]1CC[N@@H+]1[C@@H]1CCNC1=O)C(=O)Cn1cnnn1 ZINC001230749961 780461299 /nfs/dbraw/zinc/46/12/99/780461299.db2.gz RNQYCLZTLGPHQZ-NXEZZACHSA-N 1 2 293.331 -1.906 20 0 CAADLO CN(C[C@H]1CC[N@H+]1[C@@H]1CCNC1=O)C(=O)Cn1cnnn1 ZINC001230749961 780461305 /nfs/dbraw/zinc/46/13/05/780461305.db2.gz RNQYCLZTLGPHQZ-NXEZZACHSA-N 1 2 293.331 -1.906 20 0 CAADLO CC(=O)N(C)CC(=O)N(C)C[C@H]1CC[N@@H+]1[C@H]1CCNC1=O ZINC001230829648 780461486 /nfs/dbraw/zinc/46/14/86/780461486.db2.gz QQHYPQUIGLITPX-NEPJUHHUSA-N 1 2 296.371 -1.114 20 0 CAADLO CC(=O)N(C)CC(=O)N(C)C[C@H]1CC[N@H+]1[C@H]1CCNC1=O ZINC001230829648 780461489 /nfs/dbraw/zinc/46/14/89/780461489.db2.gz QQHYPQUIGLITPX-NEPJUHHUSA-N 1 2 296.371 -1.114 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CC[C@@H]1CN(C)C(=O)CNC(N)=O ZINC001230735558 780461639 /nfs/dbraw/zinc/46/16/39/780461639.db2.gz VHPVFYZFZUUYRT-JGVFFNPUSA-N 1 2 271.321 -1.939 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CC[C@@H]1CN(C)C(=O)CNC(N)=O ZINC001230735558 780461642 /nfs/dbraw/zinc/46/16/42/780461642.db2.gz VHPVFYZFZUUYRT-JGVFFNPUSA-N 1 2 271.321 -1.939 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+]1CC[C@@H]1CN(C)C(=O)Cn1cnnn1 ZINC001230748707 780461650 /nfs/dbraw/zinc/46/16/50/780461650.db2.gz IMGHQOCHQVQJRZ-VHSXEESVSA-N 1 2 295.347 -1.660 20 0 CAADLO CNC(=O)[C@H](C)[N@H+]1CC[C@@H]1CN(C)C(=O)Cn1cnnn1 ZINC001230748707 780461654 /nfs/dbraw/zinc/46/16/54/780461654.db2.gz IMGHQOCHQVQJRZ-VHSXEESVSA-N 1 2 295.347 -1.660 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)Cn1cnnn1 ZINC001230744444 780461753 /nfs/dbraw/zinc/46/17/53/780461753.db2.gz XXCGUYOJYRVBKM-VIFPVBQESA-N 1 2 281.320 -2.048 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)Cn1cnnn1 ZINC001230744444 780461757 /nfs/dbraw/zinc/46/17/57/780461757.db2.gz XXCGUYOJYRVBKM-VIFPVBQESA-N 1 2 281.320 -2.048 20 0 CAADLO COC(=O)NCC(=O)N(C)C[C@@H]1CC[N@@H+]1[C@@H]1CCNC1=O ZINC001230915416 780462816 /nfs/dbraw/zinc/46/28/16/780462816.db2.gz GLJDABFOHIYCTQ-VHSXEESVSA-N 1 2 298.343 -1.236 20 0 CAADLO COC(=O)NCC(=O)N(C)C[C@@H]1CC[N@H+]1[C@@H]1CCNC1=O ZINC001230915416 780462821 /nfs/dbraw/zinc/46/28/21/780462821.db2.gz GLJDABFOHIYCTQ-VHSXEESVSA-N 1 2 298.343 -1.236 20 0 CAADLO COC(=O)NCC(=O)N(C)C[C@H]1CC[N@@H+]1[C@H]1CCNC1=O ZINC001230915417 780463099 /nfs/dbraw/zinc/46/30/99/780463099.db2.gz GLJDABFOHIYCTQ-ZJUUUORDSA-N 1 2 298.343 -1.236 20 0 CAADLO COC(=O)NCC(=O)N(C)C[C@H]1CC[N@H+]1[C@H]1CCNC1=O ZINC001230915417 780463102 /nfs/dbraw/zinc/46/31/02/780463102.db2.gz GLJDABFOHIYCTQ-ZJUUUORDSA-N 1 2 298.343 -1.236 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)CNC(=O)OC ZINC001230915373 780463308 /nfs/dbraw/zinc/46/33/08/780463308.db2.gz FYGPMNJMRNPCSW-SECBINFHSA-N 1 2 286.332 -1.379 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)CNC(=O)OC ZINC001230915373 780463310 /nfs/dbraw/zinc/46/33/10/780463310.db2.gz FYGPMNJMRNPCSW-SECBINFHSA-N 1 2 286.332 -1.379 20 0 CAADLO CCNC(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCC(=O)N1 ZINC001231198365 780464501 /nfs/dbraw/zinc/46/45/01/780464501.db2.gz PGZQGNQIYCSNII-WDEREUQCSA-N 1 2 296.371 -1.066 20 0 CAADLO CCNC(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCC(=O)N1 ZINC001231198365 780464507 /nfs/dbraw/zinc/46/45/07/780464507.db2.gz PGZQGNQIYCSNII-WDEREUQCSA-N 1 2 296.371 -1.066 20 0 CAADLO CC(=O)NCC(=O)NCCC[N@@H+](C)CCS(C)(=O)=O ZINC001231268743 780464553 /nfs/dbraw/zinc/46/45/53/780464553.db2.gz JFDLACPIMLKKIR-UHFFFAOYSA-N 1 2 293.389 -1.395 20 0 CAADLO CC(=O)NCC(=O)NCCC[N@H+](C)CCS(C)(=O)=O ZINC001231268743 780464558 /nfs/dbraw/zinc/46/45/58/780464558.db2.gz JFDLACPIMLKKIR-UHFFFAOYSA-N 1 2 293.389 -1.395 20 0 CAADLO CCC(=O)NCC(=O)N(C)C[C@H]1CC[N@@H+]1[C@@H]1CCNC1=O ZINC001231226008 780464656 /nfs/dbraw/zinc/46/46/56/780464656.db2.gz LTOPXYMBFJNSTQ-GHMZBOCLSA-N 1 2 296.371 -1.066 20 0 CAADLO CCC(=O)NCC(=O)N(C)C[C@H]1CC[N@H+]1[C@@H]1CCNC1=O ZINC001231226008 780464659 /nfs/dbraw/zinc/46/46/59/780464659.db2.gz LTOPXYMBFJNSTQ-GHMZBOCLSA-N 1 2 296.371 -1.066 20 0 CAADLO CC(=O)NCC(=O)NCCC[N@@H+](C)[C@@H](C)c1nnnn1C ZINC001231278726 780465587 /nfs/dbraw/zinc/46/55/87/780465587.db2.gz OVERTCRIAMFFJB-VIFPVBQESA-N 1 2 297.363 -1.155 20 0 CAADLO CC(=O)NCC(=O)NCCC[N@H+](C)[C@@H](C)c1nnnn1C ZINC001231278726 780465593 /nfs/dbraw/zinc/46/55/93/780465593.db2.gz OVERTCRIAMFFJB-VIFPVBQESA-N 1 2 297.363 -1.155 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)CC(N)=O ZINC001231398300 780466057 /nfs/dbraw/zinc/46/60/57/780466057.db2.gz CMXHQGQGJZVQHX-MRVPVSSYSA-N 1 2 256.306 -1.860 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)CC(N)=O ZINC001231398300 780466066 /nfs/dbraw/zinc/46/60/66/780466066.db2.gz CMXHQGQGJZVQHX-MRVPVSSYSA-N 1 2 256.306 -1.860 20 0 CAADLO CN(C[C@@H]1CC[N@@H+]1[C@H]1CCNC1=O)C(=O)CC(N)=O ZINC001231398260 780466399 /nfs/dbraw/zinc/46/63/99/780466399.db2.gz BOYAKQUUBSYYTN-IUCAKERBSA-N 1 2 268.317 -1.717 20 0 CAADLO CN(C[C@@H]1CC[N@H+]1[C@H]1CCNC1=O)C(=O)CC(N)=O ZINC001231398260 780466401 /nfs/dbraw/zinc/46/64/01/780466401.db2.gz BOYAKQUUBSYYTN-IUCAKERBSA-N 1 2 268.317 -1.717 20 0 CAADLO CC(C)NC(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)CC(N)=O ZINC001231398303 780466436 /nfs/dbraw/zinc/46/64/36/780466436.db2.gz CQTDNAQSTUOMDL-SNVBAGLBSA-N 1 2 284.360 -1.081 20 0 CAADLO CC(C)NC(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)CC(N)=O ZINC001231398303 780466438 /nfs/dbraw/zinc/46/64/38/780466438.db2.gz CQTDNAQSTUOMDL-SNVBAGLBSA-N 1 2 284.360 -1.081 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CC[C@@H]1CN(C)C(=O)CC(N)=O ZINC001231358367 780466444 /nfs/dbraw/zinc/46/64/44/780466444.db2.gz GBYPEZXMLVFEOW-HTQZYQBOSA-N 1 2 256.306 -1.732 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CC[C@@H]1CN(C)C(=O)CC(N)=O ZINC001231358367 780466447 /nfs/dbraw/zinc/46/64/47/780466447.db2.gz GBYPEZXMLVFEOW-HTQZYQBOSA-N 1 2 256.306 -1.732 20 0 CAADLO NC(=O)N1CC[NH+](C[C@@H](O)CN2CCOCC2)CC1 ZINC000721658971 780467706 /nfs/dbraw/zinc/46/77/06/780467706.db2.gz YQHNEHZTJZTJBO-LLVKDONJSA-N 1 2 272.349 -1.624 20 0 CAADLO NC(=O)N1CCN(C[C@@H](O)C[NH+]2CCOCC2)CC1 ZINC000721658971 780467707 /nfs/dbraw/zinc/46/77/07/780467707.db2.gz YQHNEHZTJZTJBO-LLVKDONJSA-N 1 2 272.349 -1.624 20 0 CAADLO COCC(=O)N(C)C1C[NH+](CCOCCNC(C)=O)C1 ZINC001277549616 780467729 /nfs/dbraw/zinc/46/77/29/780467729.db2.gz VCXYIOWINQRTRH-UHFFFAOYSA-N 1 2 287.360 -1.072 20 0 CAADLO NC(=O)[C@H]1C[N@H+](Cc2c[nH]c(=O)[nH]c2=O)CCO1 ZINC001231702882 780467839 /nfs/dbraw/zinc/46/78/39/780467839.db2.gz GJJWDMJVPVOQKY-SSDOTTSWSA-N 1 2 254.246 -1.426 20 0 CAADLO NC(=O)[C@H]1C[N@@H+](Cc2c[nH]c(=O)[nH]c2=O)CCO1 ZINC001231702882 780467841 /nfs/dbraw/zinc/46/78/41/780467841.db2.gz GJJWDMJVPVOQKY-SSDOTTSWSA-N 1 2 254.246 -1.426 20 0 CAADLO CN(C[C@H]1CC[N@@H+]1[C@H]1CCC(=O)NC1=O)C(=O)CC(N)=O ZINC001231399444 780467885 /nfs/dbraw/zinc/46/78/85/780467885.db2.gz ZSDIVNMYDKSEOQ-BDAKNGLRSA-N 1 2 296.327 -1.800 20 0 CAADLO CN(C[C@H]1CC[N@H+]1[C@H]1CCC(=O)NC1=O)C(=O)CC(N)=O ZINC001231399444 780467888 /nfs/dbraw/zinc/46/78/88/780467888.db2.gz ZSDIVNMYDKSEOQ-BDAKNGLRSA-N 1 2 296.327 -1.800 20 0 CAADLO CN(C[C@@H]1CC[N@@H+]1CC(=O)N1CCC1)C(=O)CC(N)=O ZINC001231398780 780467913 /nfs/dbraw/zinc/46/79/13/780467913.db2.gz PQNKWANKXCKAHI-JTQLQIEISA-N 1 2 282.344 -1.373 20 0 CAADLO CN(C[C@@H]1CC[N@H+]1CC(=O)N1CCC1)C(=O)CC(N)=O ZINC001231398780 780467916 /nfs/dbraw/zinc/46/79/16/780467916.db2.gz PQNKWANKXCKAHI-JTQLQIEISA-N 1 2 282.344 -1.373 20 0 CAADLO Cn1cc(C[N@@H+]2CCO[C@@H](CO)C2)c(=O)n(C)c1=O ZINC001231766595 780467949 /nfs/dbraw/zinc/46/79/49/780467949.db2.gz BQUMHMPBALATFU-SNVBAGLBSA-N 1 2 269.301 -1.723 20 0 CAADLO Cn1cc(C[N@H+]2CCO[C@@H](CO)C2)c(=O)n(C)c1=O ZINC001231766595 780467951 /nfs/dbraw/zinc/46/79/51/780467951.db2.gz BQUMHMPBALATFU-SNVBAGLBSA-N 1 2 269.301 -1.723 20 0 CAADLO C[C@@H]1C[N@H+](Cc2cn(C)c(=O)n(C)c2=O)CC(=O)N1 ZINC001231767758 780468852 /nfs/dbraw/zinc/46/88/52/780468852.db2.gz ZZDIUPQORVOCPI-MRVPVSSYSA-N 1 2 266.301 -1.596 20 0 CAADLO C[C@@H]1C[N@@H+](Cc2cn(C)c(=O)n(C)c2=O)CC(=O)N1 ZINC001231767758 780468860 /nfs/dbraw/zinc/46/88/60/780468860.db2.gz ZZDIUPQORVOCPI-MRVPVSSYSA-N 1 2 266.301 -1.596 20 0 CAADLO C[C@H]1C[N@H+](Cc2cn(C)c(=O)n(C)c2=O)CC(=O)N1 ZINC001231767762 780469104 /nfs/dbraw/zinc/46/91/04/780469104.db2.gz ZZDIUPQORVOCPI-QMMMGPOBSA-N 1 2 266.301 -1.596 20 0 CAADLO C[C@H]1C[N@@H+](Cc2cn(C)c(=O)n(C)c2=O)CC(=O)N1 ZINC001231767762 780469110 /nfs/dbraw/zinc/46/91/10/780469110.db2.gz ZZDIUPQORVOCPI-QMMMGPOBSA-N 1 2 266.301 -1.596 20 0 CAADLO CNC(=O)NCC(=O)N(C)C1C[NH+](CCOCCO)C1 ZINC001277603213 780469976 /nfs/dbraw/zinc/46/99/76/780469976.db2.gz QBEYNWIZGJQCTN-UHFFFAOYSA-N 1 2 288.348 -1.933 20 0 CAADLO CN(C(=O)C[C@H]1CCNC1=O)C1C[NH+](CCOCCO)C1 ZINC001277611364 780469992 /nfs/dbraw/zinc/46/99/92/780469992.db2.gz ZRPJDBPSUVIYCX-LLVKDONJSA-N 1 2 299.371 -1.336 20 0 CAADLO CN(C)C(=O)C[NH+]1CC2(CN(CC(=O)NC3CC3)C2)C1 ZINC001277630907 780470474 /nfs/dbraw/zinc/47/04/74/780470474.db2.gz VANUXGJJBUYUNY-UHFFFAOYSA-N 1 2 280.372 -1.029 20 0 CAADLO Cn1cc(C[NH+]2CCN(C#N)CC2)c(=O)n(C)c1=O ZINC001231773162 780470526 /nfs/dbraw/zinc/47/05/26/780470526.db2.gz WZUVICNGNDUWEB-UHFFFAOYSA-N 1 2 263.301 -1.317 20 0 CAADLO COC[C@H](C(=O)OC)N1CC2(C1)C[NH+](CC(=O)N(C)C)C2 ZINC001277571017 780470551 /nfs/dbraw/zinc/47/05/51/780470551.db2.gz GXKUNQXZKCBRJV-LLVKDONJSA-N 1 2 299.371 -1.120 20 0 CAADLO C[C@H](CN(C)C(=O)CC(N)=O)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001277780144 780471985 /nfs/dbraw/zinc/47/19/85/780471985.db2.gz BNUVBMFGEIWGDP-SSDOTTSWSA-N 1 2 284.320 -2.080 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(N(C)C(=O)C(=O)NCC2CC2)C1 ZINC001277675509 780472126 /nfs/dbraw/zinc/47/21/26/780472126.db2.gz JISJCCBUUVCMLZ-LBPRGKRZSA-N 1 2 299.371 -1.338 20 0 CAADLO C[C@@H](c1nnnn1C)[N@H+](C)CCCNC(=O)CNC(N)=O ZINC001233713571 780472948 /nfs/dbraw/zinc/47/29/48/780472948.db2.gz QQQZDNHZGLMYSM-QMMMGPOBSA-N 1 2 298.351 -1.623 20 0 CAADLO C[C@@H](c1nnnn1C)[N@@H+](C)CCCNC(=O)CNC(N)=O ZINC001233713571 780472954 /nfs/dbraw/zinc/47/29/54/780472954.db2.gz QQQZDNHZGLMYSM-QMMMGPOBSA-N 1 2 298.351 -1.623 20 0 CAADLO Cn1cc(C[N@H+](C)CCCNC(=O)CNC(N)=O)nn1 ZINC001233712739 780473949 /nfs/dbraw/zinc/47/39/49/780473949.db2.gz DUJOHJHWTMONHJ-UHFFFAOYSA-N 1 2 283.336 -1.579 20 0 CAADLO Cn1cc(C[N@@H+](C)CCCNC(=O)CNC(N)=O)nn1 ZINC001233712739 780473953 /nfs/dbraw/zinc/47/39/53/780473953.db2.gz DUJOHJHWTMONHJ-UHFFFAOYSA-N 1 2 283.336 -1.579 20 0 CAADLO Cc1nnc(C[N@H+](C)CCCNC(=O)CNC(N)=O)[nH]1 ZINC001233713494 780474058 /nfs/dbraw/zinc/47/40/58/780474058.db2.gz PMSIFXTYRDJFBH-UHFFFAOYSA-N 1 2 283.336 -1.280 20 0 CAADLO Cc1nnc(C[N@@H+](C)CCCNC(=O)CNC(N)=O)[nH]1 ZINC001233713494 780474060 /nfs/dbraw/zinc/47/40/60/780474060.db2.gz PMSIFXTYRDJFBH-UHFFFAOYSA-N 1 2 283.336 -1.280 20 0 CAADLO CCNC(=O)CC(=O)N(C)C[C@@H]1CC[N@@H+]1[C@@H]1CCNC1=O ZINC001233818936 780475130 /nfs/dbraw/zinc/47/51/30/780475130.db2.gz IIEPKZADEMIYQC-WDEREUQCSA-N 1 2 296.371 -1.066 20 0 CAADLO CCNC(=O)CC(=O)N(C)C[C@@H]1CC[N@H+]1[C@@H]1CCNC1=O ZINC001233818936 780475134 /nfs/dbraw/zinc/47/51/34/780475134.db2.gz IIEPKZADEMIYQC-WDEREUQCSA-N 1 2 296.371 -1.066 20 0 CAADLO C[N@H+](CCCNC(=O)Cn1cnnn1)Cc1cnon1 ZINC001233751924 780475539 /nfs/dbraw/zinc/47/55/39/780475539.db2.gz XSFDJDNTGBZFHL-UHFFFAOYSA-N 1 2 280.292 -1.306 20 0 CAADLO C[N@@H+](CCCNC(=O)Cn1cnnn1)Cc1cnon1 ZINC001233751924 780475542 /nfs/dbraw/zinc/47/55/42/780475542.db2.gz XSFDJDNTGBZFHL-UHFFFAOYSA-N 1 2 280.292 -1.306 20 0 CAADLO CNC(=O)CC(=O)N(C)C[C@H]1CC[N@@H+]1[C@H](C)C(=O)NC ZINC001233879093 780476384 /nfs/dbraw/zinc/47/63/84/780476384.db2.gz DPRIATBFKBZJHY-NXEZZACHSA-N 1 2 284.360 -1.210 20 0 CAADLO CNC(=O)CC(=O)N(C)C[C@H]1CC[N@H+]1[C@H](C)C(=O)NC ZINC001233879093 780476387 /nfs/dbraw/zinc/47/63/87/780476387.db2.gz DPRIATBFKBZJHY-NXEZZACHSA-N 1 2 284.360 -1.210 20 0 CAADLO CNC(=O)CC(=O)N(C)C[C@@H]1CC[N@@H+]1[C@@H]1CCNC1=O ZINC001233897018 780476418 /nfs/dbraw/zinc/47/64/18/780476418.db2.gz AVACVDRGLAYYOT-VHSXEESVSA-N 1 2 282.344 -1.456 20 0 CAADLO CNC(=O)CC(=O)N(C)C[C@@H]1CC[N@H+]1[C@@H]1CCNC1=O ZINC001233897018 780476419 /nfs/dbraw/zinc/47/64/19/780476419.db2.gz AVACVDRGLAYYOT-VHSXEESVSA-N 1 2 282.344 -1.456 20 0 CAADLO CNC(=O)CC(=O)N(C)C[C@H]1CC[N@@H+]1[C@@H]1CCNC1=O ZINC001233897010 780476482 /nfs/dbraw/zinc/47/64/82/780476482.db2.gz AVACVDRGLAYYOT-NXEZZACHSA-N 1 2 282.344 -1.456 20 0 CAADLO CNC(=O)CC(=O)N(C)C[C@H]1CC[N@H+]1[C@@H]1CCNC1=O ZINC001233897010 780476487 /nfs/dbraw/zinc/47/64/87/780476487.db2.gz AVACVDRGLAYYOT-NXEZZACHSA-N 1 2 282.344 -1.456 20 0 CAADLO CNC(=O)CC(=O)N(C)C[C@@H]1CC[N@H+]1CC(=O)NC ZINC001233878823 780476612 /nfs/dbraw/zinc/47/66/12/780476612.db2.gz AFSVQVVLMKTRAM-VIFPVBQESA-N 1 2 270.333 -1.599 20 0 CAADLO CNC(=O)CC(=O)N(C)C[C@@H]1CC[N@@H+]1CC(=O)NC ZINC001233878823 780476619 /nfs/dbraw/zinc/47/66/19/780476619.db2.gz AFSVQVVLMKTRAM-VIFPVBQESA-N 1 2 270.333 -1.599 20 0 CAADLO CCNC(=O)CC(=O)N(C)C[C@H]1CC[N@@H+]1[C@@H](C)C(N)=O ZINC001233830050 780476752 /nfs/dbraw/zinc/47/67/52/780476752.db2.gz VPYZKVXUYOSKNG-VHSXEESVSA-N 1 2 284.360 -1.081 20 0 CAADLO CCNC(=O)CC(=O)N(C)C[C@H]1CC[N@H+]1[C@@H](C)C(N)=O ZINC001233830050 780476754 /nfs/dbraw/zinc/47/67/54/780476754.db2.gz VPYZKVXUYOSKNG-VHSXEESVSA-N 1 2 284.360 -1.081 20 0 CAADLO CNC(=O)CC(=O)N(C)C[C@H]1CC[N@@H+]1CC(=O)N(C)C ZINC001233881650 780476902 /nfs/dbraw/zinc/47/69/02/780476902.db2.gz SBWSZPLZBQMBEH-SNVBAGLBSA-N 1 2 284.360 -1.257 20 0 CAADLO CNC(=O)CC(=O)N(C)C[C@H]1CC[N@H+]1CC(=O)N(C)C ZINC001233881650 780476904 /nfs/dbraw/zinc/47/69/04/780476904.db2.gz SBWSZPLZBQMBEH-SNVBAGLBSA-N 1 2 284.360 -1.257 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)CN1CN=NC1=O ZINC001233846363 780476941 /nfs/dbraw/zinc/47/69/41/780476941.db2.gz GJQRMSLNBQLIJE-SECBINFHSA-N 1 2 296.331 -1.738 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)CN1CN=NC1=O ZINC001233846363 780476945 /nfs/dbraw/zinc/47/69/45/780476945.db2.gz GJQRMSLNBQLIJE-SECBINFHSA-N 1 2 296.331 -1.738 20 0 CAADLO CNC(=O)CC(=O)N(C)C[C@@H]1CC[N@@H+]1[C@@H](C)C(N)=O ZINC001233881877 780476992 /nfs/dbraw/zinc/47/69/92/780476992.db2.gz VGADARWNFIKRNZ-IUCAKERBSA-N 1 2 270.333 -1.471 20 0 CAADLO CNC(=O)CC(=O)N(C)C[C@@H]1CC[N@H+]1[C@@H](C)C(N)=O ZINC001233881877 780476996 /nfs/dbraw/zinc/47/69/96/780476996.db2.gz VGADARWNFIKRNZ-IUCAKERBSA-N 1 2 270.333 -1.471 20 0 CAADLO CNC(=O)CC(=O)N(C)C[C@H]1CC[N@@H+]1[C@H]1CCNC1=O ZINC001233897020 780477263 /nfs/dbraw/zinc/47/72/63/780477263.db2.gz AVACVDRGLAYYOT-ZJUUUORDSA-N 1 2 282.344 -1.456 20 0 CAADLO CNC(=O)CC(=O)N(C)C[C@H]1CC[N@H+]1[C@H]1CCNC1=O ZINC001233897020 780477267 /nfs/dbraw/zinc/47/72/67/780477267.db2.gz AVACVDRGLAYYOT-ZJUUUORDSA-N 1 2 282.344 -1.456 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CC[C@@H]1CN(C)C(=O)CN1CN=NC1=O ZINC001233846122 780477318 /nfs/dbraw/zinc/47/73/18/780477318.db2.gz DRKCNYDFDAXVSI-DTWKUNHWSA-N 1 2 296.331 -1.610 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CC[C@@H]1CN(C)C(=O)CN1CN=NC1=O ZINC001233846122 780477322 /nfs/dbraw/zinc/47/73/22/780477322.db2.gz DRKCNYDFDAXVSI-DTWKUNHWSA-N 1 2 296.331 -1.610 20 0 CAADLO CCNC(=O)CC(=O)N(C)C[C@H]1CC[N@@H+]1CC(=O)NC ZINC001233819677 780477360 /nfs/dbraw/zinc/47/73/60/780477360.db2.gz OJBBVBPRHQAESK-SNVBAGLBSA-N 1 2 284.360 -1.209 20 0 CAADLO CCNC(=O)CC(=O)N(C)C[C@H]1CC[N@H+]1CC(=O)NC ZINC001233819677 780477366 /nfs/dbraw/zinc/47/73/66/780477366.db2.gz OJBBVBPRHQAESK-SNVBAGLBSA-N 1 2 284.360 -1.209 20 0 CAADLO CCNC(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H](C)NC(N)=O ZINC001233891991 780477373 /nfs/dbraw/zinc/47/73/73/780477373.db2.gz ZENZMCJERGHMKW-UWVGGRQHSA-N 1 2 299.375 -1.288 20 0 CAADLO CCNC(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)[C@H](C)NC(N)=O ZINC001233891991 780477375 /nfs/dbraw/zinc/47/73/75/780477375.db2.gz ZENZMCJERGHMKW-UWVGGRQHSA-N 1 2 299.375 -1.288 20 0 CAADLO CCNC(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1COC(=O)N1 ZINC001233989345 780478069 /nfs/dbraw/zinc/47/80/69/780478069.db2.gz BJLDJDOJTUWZCW-NXEZZACHSA-N 1 2 298.343 -1.236 20 0 CAADLO CCNC(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1COC(=O)N1 ZINC001233989345 780478072 /nfs/dbraw/zinc/47/80/72/780478072.db2.gz BJLDJDOJTUWZCW-NXEZZACHSA-N 1 2 298.343 -1.236 20 0 CAADLO CCNC(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1COC(=O)N1 ZINC001233989349 780478201 /nfs/dbraw/zinc/47/82/01/780478201.db2.gz BJLDJDOJTUWZCW-UWVGGRQHSA-N 1 2 298.343 -1.236 20 0 CAADLO CCNC(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1COC(=O)N1 ZINC001233989349 780478205 /nfs/dbraw/zinc/47/82/05/780478205.db2.gz BJLDJDOJTUWZCW-UWVGGRQHSA-N 1 2 298.343 -1.236 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)Cc1nnc(C)[nH]1 ZINC001234205258 780480235 /nfs/dbraw/zinc/48/02/35/780480235.db2.gz HVURNPOGDXBALQ-SNVBAGLBSA-N 1 2 294.359 -1.066 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)Cc1nnc(C)[nH]1 ZINC001234205258 780480236 /nfs/dbraw/zinc/48/02/36/780480236.db2.gz HVURNPOGDXBALQ-SNVBAGLBSA-N 1 2 294.359 -1.066 20 0 CAADLO CNC(=O)NCCC(=O)N(C)C[C@H]1CC[N@@H+]1[C@@H](C)C(N)=O ZINC001234111117 780480439 /nfs/dbraw/zinc/48/04/39/780480439.db2.gz HAYCJBPHYFMCBP-VHSXEESVSA-N 1 2 299.375 -1.288 20 0 CAADLO CNC(=O)NCCC(=O)N(C)C[C@H]1CC[N@H+]1[C@@H](C)C(N)=O ZINC001234111117 780480440 /nfs/dbraw/zinc/48/04/40/780480440.db2.gz HAYCJBPHYFMCBP-VHSXEESVSA-N 1 2 299.375 -1.288 20 0 CAADLO CN(C)C(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)Cn1ncnn1 ZINC001234355901 780481359 /nfs/dbraw/zinc/48/13/59/780481359.db2.gz BXVSSTSPUOMETD-JTQLQIEISA-N 1 2 295.347 -1.706 20 0 CAADLO CN(C)C(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)Cn1ncnn1 ZINC001234355901 780481362 /nfs/dbraw/zinc/48/13/62/780481362.db2.gz BXVSSTSPUOMETD-JTQLQIEISA-N 1 2 295.347 -1.706 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CC[C@H]1CN(C)C(=O)Cn1ncnn1 ZINC001234367357 780481842 /nfs/dbraw/zinc/48/18/42/780481842.db2.gz UZMOLYSILVPNKH-IUCAKERBSA-N 1 2 281.320 -1.920 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CC[C@H]1CN(C)C(=O)Cn1ncnn1 ZINC001234367357 780481845 /nfs/dbraw/zinc/48/18/45/780481845.db2.gz UZMOLYSILVPNKH-IUCAKERBSA-N 1 2 281.320 -1.920 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CC[C@H]1CN(C)C(=O)Cn1ncnn1 ZINC001234367355 780481987 /nfs/dbraw/zinc/48/19/87/780481987.db2.gz UZMOLYSILVPNKH-BDAKNGLRSA-N 1 2 281.320 -1.920 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CC[C@H]1CN(C)C(=O)Cn1ncnn1 ZINC001234367355 780481991 /nfs/dbraw/zinc/48/19/91/780481991.db2.gz UZMOLYSILVPNKH-BDAKNGLRSA-N 1 2 281.320 -1.920 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CC[C@@H]1CN(C)C(=O)Cn1ncnn1 ZINC001234367356 780482018 /nfs/dbraw/zinc/48/20/18/780482018.db2.gz UZMOLYSILVPNKH-DTWKUNHWSA-N 1 2 281.320 -1.920 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CC[C@@H]1CN(C)C(=O)Cn1ncnn1 ZINC001234367356 780482023 /nfs/dbraw/zinc/48/20/23/780482023.db2.gz UZMOLYSILVPNKH-DTWKUNHWSA-N 1 2 281.320 -1.920 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+]1CC[C@H]1CN(C)C(=O)Cn1ncnn1 ZINC001234367270 780482161 /nfs/dbraw/zinc/48/21/61/780482161.db2.gz SDYSRHFKHZWPHD-UWVGGRQHSA-N 1 2 295.347 -1.660 20 0 CAADLO CNC(=O)[C@H](C)[N@H+]1CC[C@H]1CN(C)C(=O)Cn1ncnn1 ZINC001234367270 780482166 /nfs/dbraw/zinc/48/21/66/780482166.db2.gz SDYSRHFKHZWPHD-UWVGGRQHSA-N 1 2 295.347 -1.660 20 0 CAADLO CN(C[C@H]1CC[N@@H+]1[C@H]1CCNC1=O)C(=O)Cn1ncnn1 ZINC001234377198 780484095 /nfs/dbraw/zinc/48/40/95/780484095.db2.gz CRAXAXGJQZKUFC-ZJUUUORDSA-N 1 2 293.331 -1.906 20 0 CAADLO CN(C[C@H]1CC[N@H+]1[C@H]1CCNC1=O)C(=O)Cn1ncnn1 ZINC001234377198 780484098 /nfs/dbraw/zinc/48/40/98/780484098.db2.gz CRAXAXGJQZKUFC-ZJUUUORDSA-N 1 2 293.331 -1.906 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)Cn1nccn1 ZINC001234573383 780486993 /nfs/dbraw/zinc/48/69/93/780486993.db2.gz IPJSBVHPUAVAOT-SNVBAGLBSA-N 1 2 280.332 -1.443 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)Cn1nccn1 ZINC001234573383 780486997 /nfs/dbraw/zinc/48/69/97/780486997.db2.gz IPJSBVHPUAVAOT-SNVBAGLBSA-N 1 2 280.332 -1.443 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+](C)CCCNC(=O)CS(C)(=O)=O ZINC001234965280 780487038 /nfs/dbraw/zinc/48/70/38/780487038.db2.gz BIQOCQPZNWCJNO-SECBINFHSA-N 1 2 293.389 -1.396 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+](C)CCCNC(=O)CS(C)(=O)=O ZINC001234965280 780487041 /nfs/dbraw/zinc/48/70/41/780487041.db2.gz BIQOCQPZNWCJNO-SECBINFHSA-N 1 2 293.389 -1.396 20 0 CAADLO COC(=O)CC[NH+]1CC2(CN(S(=O)(=O)N(C)C)C2)C1 ZINC001277869796 780487080 /nfs/dbraw/zinc/48/70/80/780487080.db2.gz CMCMDGFIPVLXRY-UHFFFAOYSA-N 1 2 291.373 -1.027 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+]1CC[C@H]1CN(C)C(=O)Cn1nccn1 ZINC001234582553 780487336 /nfs/dbraw/zinc/48/73/36/780487336.db2.gz CLEPPZATKSXZDO-MNOVXSKESA-N 1 2 294.359 -1.055 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+]1CC[C@H]1CN(C)C(=O)Cn1nccn1 ZINC001234582553 780487339 /nfs/dbraw/zinc/48/73/39/780487339.db2.gz CLEPPZATKSXZDO-MNOVXSKESA-N 1 2 294.359 -1.055 20 0 CAADLO CN(C)C(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)Cn1nccn1 ZINC001234574842 780487402 /nfs/dbraw/zinc/48/74/02/780487402.db2.gz XRUSOSVPOLVVKF-NSHDSACASA-N 1 2 294.359 -1.101 20 0 CAADLO CN(C)C(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)Cn1nccn1 ZINC001234574842 780487406 /nfs/dbraw/zinc/48/74/06/780487406.db2.gz XRUSOSVPOLVVKF-NSHDSACASA-N 1 2 294.359 -1.101 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+]1CC[C@H]1CN(C)C(=O)Cn1nccn1 ZINC001234582555 780487463 /nfs/dbraw/zinc/48/74/63/780487463.db2.gz CLEPPZATKSXZDO-QWRGUYRKSA-N 1 2 294.359 -1.055 20 0 CAADLO CNC(=O)[C@H](C)[N@H+]1CC[C@H]1CN(C)C(=O)Cn1nccn1 ZINC001234582555 780487468 /nfs/dbraw/zinc/48/74/68/780487468.db2.gz CLEPPZATKSXZDO-QWRGUYRKSA-N 1 2 294.359 -1.055 20 0 CAADLO CNC(=O)[C@H](C)[N@H+](C)CCCNC(=O)CS(C)(=O)=O ZINC001234965289 780487497 /nfs/dbraw/zinc/48/74/97/780487497.db2.gz BIQOCQPZNWCJNO-VIFPVBQESA-N 1 2 293.389 -1.396 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+](C)CCCNC(=O)CS(C)(=O)=O ZINC001234965289 780487501 /nfs/dbraw/zinc/48/75/01/780487501.db2.gz BIQOCQPZNWCJNO-VIFPVBQESA-N 1 2 293.389 -1.396 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+]1CC[C@@H]1CN(C)C(=O)Cn1nccn1 ZINC001234582557 780487681 /nfs/dbraw/zinc/48/76/81/780487681.db2.gz CLEPPZATKSXZDO-WDEREUQCSA-N 1 2 294.359 -1.055 20 0 CAADLO CNC(=O)[C@H](C)[N@H+]1CC[C@@H]1CN(C)C(=O)Cn1nccn1 ZINC001234582557 780487686 /nfs/dbraw/zinc/48/76/86/780487686.db2.gz CLEPPZATKSXZDO-WDEREUQCSA-N 1 2 294.359 -1.055 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CC[C@H]1CN(C)C(=O)Cn1nccn1 ZINC001234573756 780487727 /nfs/dbraw/zinc/48/77/27/780487727.db2.gz LXVFZECPVDHNMT-ZJUUUORDSA-N 1 2 280.332 -1.315 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CC[C@H]1CN(C)C(=O)Cn1nccn1 ZINC001234573756 780487734 /nfs/dbraw/zinc/48/77/34/780487734.db2.gz LXVFZECPVDHNMT-ZJUUUORDSA-N 1 2 280.332 -1.315 20 0 CAADLO CNC(=O)NCC(=O)N(C)C[C@H]1CC[N@@H+]1[C@@H]1CCNC1=O ZINC001235051117 780488561 /nfs/dbraw/zinc/48/85/61/780488561.db2.gz KGXJQKKZYKFMLK-NXEZZACHSA-N 1 2 297.359 -1.663 20 0 CAADLO CNC(=O)NCC(=O)N(C)C[C@H]1CC[N@H+]1[C@@H]1CCNC1=O ZINC001235051117 780488566 /nfs/dbraw/zinc/48/85/66/780488566.db2.gz KGXJQKKZYKFMLK-NXEZZACHSA-N 1 2 297.359 -1.663 20 0 CAADLO CNC(=O)NCC(=O)N(C)C[C@H]1CC[N@@H+]1CC(=O)N(C)C ZINC001235024581 780488890 /nfs/dbraw/zinc/48/88/90/780488890.db2.gz QHKRNAWHCPTTKG-SNVBAGLBSA-N 1 2 299.375 -1.464 20 0 CAADLO CNC(=O)NCC(=O)N(C)C[C@H]1CC[N@H+]1CC(=O)N(C)C ZINC001235024581 780488895 /nfs/dbraw/zinc/48/88/95/780488895.db2.gz QHKRNAWHCPTTKG-SNVBAGLBSA-N 1 2 299.375 -1.464 20 0 CAADLO C[N@H+](CCCNC(=O)CS(C)(=O)=O)[C@@H]1CCNC1=O ZINC001234984405 780488997 /nfs/dbraw/zinc/48/89/97/780488997.db2.gz PSVLVYKQYWHXNC-SECBINFHSA-N 1 2 291.373 -1.642 20 0 CAADLO C[N@@H+](CCCNC(=O)CS(C)(=O)=O)[C@@H]1CCNC1=O ZINC001234984405 780489000 /nfs/dbraw/zinc/48/90/00/780489000.db2.gz PSVLVYKQYWHXNC-SECBINFHSA-N 1 2 291.373 -1.642 20 0 CAADLO CC[C@H](C(N)=O)[N@H+](C)CCCNC(=O)CS(C)(=O)=O ZINC001234967628 780489026 /nfs/dbraw/zinc/48/90/26/780489026.db2.gz QSZPQFCMABWBKV-SECBINFHSA-N 1 2 293.389 -1.267 20 0 CAADLO CC[C@H](C(N)=O)[N@@H+](C)CCCNC(=O)CS(C)(=O)=O ZINC001234967628 780489028 /nfs/dbraw/zinc/48/90/28/780489028.db2.gz QSZPQFCMABWBKV-SECBINFHSA-N 1 2 293.389 -1.267 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)CNC(=O)NC ZINC001235002110 780489075 /nfs/dbraw/zinc/48/90/75/780489075.db2.gz CRIDKMPELFPLQE-SECBINFHSA-N 1 2 285.348 -1.806 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)CNC(=O)NC ZINC001235002110 780489082 /nfs/dbraw/zinc/48/90/82/780489082.db2.gz CRIDKMPELFPLQE-SECBINFHSA-N 1 2 285.348 -1.806 20 0 CAADLO CNC(=O)NCC(=O)N(C)C[C@@H]1CC[N@@H+]1[C@@H](C)C(=O)NC ZINC001235050982 780489120 /nfs/dbraw/zinc/48/91/20/780489120.db2.gz IUJLKQGPLRHHOB-UWVGGRQHSA-N 1 2 299.375 -1.417 20 0 CAADLO CNC(=O)NCC(=O)N(C)C[C@@H]1CC[N@H+]1[C@@H](C)C(=O)NC ZINC001235050982 780489129 /nfs/dbraw/zinc/48/91/29/780489129.db2.gz IUJLKQGPLRHHOB-UWVGGRQHSA-N 1 2 299.375 -1.417 20 0 CAADLO CC[C@@H](C(N)=O)[N@H+](C)CCCNC(=O)CS(C)(=O)=O ZINC001234967636 780489210 /nfs/dbraw/zinc/48/92/10/780489210.db2.gz QSZPQFCMABWBKV-VIFPVBQESA-N 1 2 293.389 -1.267 20 0 CAADLO CC[C@@H](C(N)=O)[N@@H+](C)CCCNC(=O)CS(C)(=O)=O ZINC001234967636 780489215 /nfs/dbraw/zinc/48/92/15/780489215.db2.gz QSZPQFCMABWBKV-VIFPVBQESA-N 1 2 293.389 -1.267 20 0 CAADLO CNC(=O)NCC(=O)N(C)C[C@@H]1CC[N@@H+]1CC(=O)N(C)C ZINC001235024576 780489313 /nfs/dbraw/zinc/48/93/13/780489313.db2.gz QHKRNAWHCPTTKG-JTQLQIEISA-N 1 2 299.375 -1.464 20 0 CAADLO CNC(=O)NCC(=O)N(C)C[C@@H]1CC[N@H+]1CC(=O)N(C)C ZINC001235024576 780489319 /nfs/dbraw/zinc/48/93/19/780489319.db2.gz QHKRNAWHCPTTKG-JTQLQIEISA-N 1 2 299.375 -1.464 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)C[C@H]1CCNC1=O ZINC001235280233 780490016 /nfs/dbraw/zinc/49/00/16/780490016.db2.gz IFRKZBYZWMPARJ-MNOVXSKESA-N 1 2 296.371 -1.209 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)C[C@H]1CCNC1=O ZINC001235280233 780490020 /nfs/dbraw/zinc/49/00/20/780490020.db2.gz IFRKZBYZWMPARJ-MNOVXSKESA-N 1 2 296.371 -1.209 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CC[C@@H]1CN(C)C(=O)C(C)(C)C(N)=O ZINC001235590099 780492341 /nfs/dbraw/zinc/49/23/41/780492341.db2.gz XBYXOJVWWSHRLP-DTWKUNHWSA-N 1 2 284.360 -1.096 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CC[C@@H]1CN(C)C(=O)C(C)(C)C(N)=O ZINC001235590099 780492343 /nfs/dbraw/zinc/49/23/43/780492343.db2.gz XBYXOJVWWSHRLP-DTWKUNHWSA-N 1 2 284.360 -1.096 20 0 CAADLO Cn1ncnc1C(=O)N1CC[C@H]2[C@@H]1CC[N@@H+]2CC(N)=O ZINC001277977819 780495753 /nfs/dbraw/zinc/49/57/53/780495753.db2.gz DUSDVNIOKGYDHJ-IUCAKERBSA-N 1 2 278.316 -1.411 20 0 CAADLO Cn1ncnc1C(=O)N1CC[C@H]2[C@@H]1CC[N@H+]2CC(N)=O ZINC001277977819 780495756 /nfs/dbraw/zinc/49/57/56/780495756.db2.gz DUSDVNIOKGYDHJ-IUCAKERBSA-N 1 2 278.316 -1.411 20 0 CAADLO Cn1ncnc1C(=O)N1C[C@@H]2CC[N@H+](CC(N)=O)[C@@H]2C1 ZINC001277977597 780495777 /nfs/dbraw/zinc/49/57/77/780495777.db2.gz BXYYFRSNBVIMEU-DTWKUNHWSA-N 1 2 278.316 -1.553 20 0 CAADLO Cn1ncnc1C(=O)N1C[C@@H]2CC[N@@H+](CC(N)=O)[C@@H]2C1 ZINC001277977597 780495779 /nfs/dbraw/zinc/49/57/79/780495779.db2.gz BXYYFRSNBVIMEU-DTWKUNHWSA-N 1 2 278.316 -1.553 20 0 CAADLO CN(C)C(=O)C[NH+]1CC2(C1)CCCN(CC(N)=O)C2 ZINC001277981540 780496766 /nfs/dbraw/zinc/49/67/66/780496766.db2.gz KYKSDGSUOBCXKB-UHFFFAOYSA-N 1 2 268.361 -1.042 20 0 CAADLO NC(=O)CN1C[C@@H]2[C@H](C1)OCCN2CCn1cc[nH+]c1 ZINC001277981292 780497021 /nfs/dbraw/zinc/49/70/21/780497021.db2.gz JNHXUUALIHPQHE-NEPJUHHUSA-N 1 2 279.344 -1.247 20 0 CAADLO CN(C)S(=O)(=O)N1C[C@@H]2CC[N@H+](CC(N)=O)[C@@H]2C1 ZINC001277985848 780497314 /nfs/dbraw/zinc/49/73/14/780497314.db2.gz NIACODPJNPXNIG-DTWKUNHWSA-N 1 2 276.362 -1.716 20 0 CAADLO CN(C)S(=O)(=O)N1C[C@@H]2CC[N@@H+](CC(N)=O)[C@@H]2C1 ZINC001277985848 780497316 /nfs/dbraw/zinc/49/73/16/780497316.db2.gz NIACODPJNPXNIG-DTWKUNHWSA-N 1 2 276.362 -1.716 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H]2[C@@H]1CCN2CC(=O)N(C)C ZINC001278010880 780497717 /nfs/dbraw/zinc/49/77/17/780497717.db2.gz AYYHUSPUKLQMGM-QWRGUYRKSA-N 1 2 268.361 -1.031 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H]2[C@@H]1CCN2CC(=O)N(C)C ZINC001278010880 780497722 /nfs/dbraw/zinc/49/77/22/780497722.db2.gz AYYHUSPUKLQMGM-QWRGUYRKSA-N 1 2 268.361 -1.031 20 0 CAADLO CNC(=O)CN1CC2(C1)C[NH+](CC(=O)N(C)C)C2 ZINC001278011544 780498765 /nfs/dbraw/zinc/49/87/65/780498765.db2.gz VQVZJAJMWNUUBB-UHFFFAOYSA-N 1 2 254.334 -1.562 20 0 CAADLO CNC(=O)C[N@@H+]1C[C@@H]2COC[C@H](C1)N2COCCOC ZINC001278011048 780498858 /nfs/dbraw/zinc/49/88/58/780498858.db2.gz HRFYUEFXOFBWMT-TXEJJXNPSA-N 1 2 287.360 -1.262 20 0 CAADLO CNC(=O)C[N@H+]1C[C@@H]2COC[C@H](C1)N2COCCOC ZINC001278011048 780498864 /nfs/dbraw/zinc/49/88/64/780498864.db2.gz HRFYUEFXOFBWMT-TXEJJXNPSA-N 1 2 287.360 -1.262 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H]2CN(S(=O)(=O)N(C)C)C[C@H]21 ZINC001278013548 780499179 /nfs/dbraw/zinc/49/91/79/780499179.db2.gz PPBMQCUTDXPSNP-VHSXEESVSA-N 1 2 290.389 -1.455 20 0 CAADLO CC[C@H](C(N)=O)[N@@H+]1C[C@@H]2OCCN(CC(=O)N(C)C)[C@H]2C1 ZINC001278029401 780498909 /nfs/dbraw/zinc/49/89/09/780498909.db2.gz RSQYSFPVRIZOOD-WOPDTQHZSA-N 1 2 298.387 -1.277 20 0 CAADLO CC[C@H](C(N)=O)[N@H+]1C[C@@H]2OCCN(CC(=O)N(C)C)[C@H]2C1 ZINC001278029401 780498912 /nfs/dbraw/zinc/49/89/12/780498912.db2.gz RSQYSFPVRIZOOD-WOPDTQHZSA-N 1 2 298.387 -1.277 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H]2[C@@H]1CCN2S(=O)(=O)N(C)C ZINC001278013490 780499003 /nfs/dbraw/zinc/49/90/03/780499003.db2.gz NXUOEQKQLXAQFC-UWVGGRQHSA-N 1 2 290.389 -1.313 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H]2[C@@H]1CCN2S(=O)(=O)N(C)C ZINC001278013490 780499006 /nfs/dbraw/zinc/49/90/06/780499006.db2.gz NXUOEQKQLXAQFC-UWVGGRQHSA-N 1 2 290.389 -1.313 20 0 CAADLO CNC(=O)C[N@H+]1C[C@@H]2[C@H](C1)OCCN2COCCOC ZINC001278011492 780499029 /nfs/dbraw/zinc/49/90/29/780499029.db2.gz TUFPBLPNLQUNLG-NEPJUHHUSA-N 1 2 287.360 -1.262 20 0 CAADLO CNC(=O)C[N@@H+]1C[C@@H]2[C@H](C1)OCCN2COCCOC ZINC001278011492 780499035 /nfs/dbraw/zinc/49/90/35/780499035.db2.gz TUFPBLPNLQUNLG-NEPJUHHUSA-N 1 2 287.360 -1.262 20 0 CAADLO CCNC(=O)CN1CC2(C1)C[NH+](CC(=O)N(C)C)C2 ZINC001278026483 780499047 /nfs/dbraw/zinc/49/90/47/780499047.db2.gz ISDPODAZMYEZRE-UHFFFAOYSA-N 1 2 268.361 -1.172 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H]2CN(S(=O)(=O)N(C)C)C[C@H]21 ZINC001278013548 780499172 /nfs/dbraw/zinc/49/91/72/780499172.db2.gz PPBMQCUTDXPSNP-VHSXEESVSA-N 1 2 290.389 -1.455 20 0 CAADLO NC(=O)CC(=O)NC[C@@H](CO)[NH2+]Cc1coc(C2CC2)n1 ZINC001278054472 780501449 /nfs/dbraw/zinc/50/14/49/780501449.db2.gz RHYORIWTQASFKI-VIFPVBQESA-N 1 2 296.327 -1.006 20 0 CAADLO O=C(CCc1nc[nH]n1)NC[C@@H](CO)[NH2+]CCF ZINC001278061775 780503358 /nfs/dbraw/zinc/50/33/58/780503358.db2.gz NYFUXNYGBMVJPT-QMMMGPOBSA-N 1 2 259.285 -1.227 20 0 CAADLO COC(=O)c1cncc(NS(=O)(=O)CC[NH3+])n1 ZINC001237492141 780507014 /nfs/dbraw/zinc/50/70/14/780507014.db2.gz GPPJLVPYURMZGL-UHFFFAOYSA-N 1 2 260.275 -1.036 20 0 CAADLO Cn1nnnc1NS(=O)(=O)CC1CC[NH2+]CC1 ZINC001237460828 780507053 /nfs/dbraw/zinc/50/70/53/780507053.db2.gz BCFOXMYCOBMVRQ-UHFFFAOYSA-N 1 2 260.323 -1.049 20 0 CAADLO Cn1ncnc1C[NH2+][C@H](CO)CNC(=O)[C@@H]1CCNC1=O ZINC001278127661 780507779 /nfs/dbraw/zinc/50/77/79/780507779.db2.gz CBVJIPQDDCQBGO-DTWKUNHWSA-N 1 2 296.331 -2.482 20 0 CAADLO Cc1nc(C[NH2+][C@@H](CO)CNC(=O)[C@@H]2CCNC2=O)co1 ZINC001278129321 780508106 /nfs/dbraw/zinc/50/81/06/780508106.db2.gz LPGPKLWMQIWOBF-MWLCHTKSSA-N 1 2 296.327 -1.314 20 0 CAADLO Cn1ncnc1C[NH2+][C@H](CO)CNC(=O)[C@H]1CCNC1=O ZINC001278127662 780508649 /nfs/dbraw/zinc/50/86/49/780508649.db2.gz CBVJIPQDDCQBGO-IUCAKERBSA-N 1 2 296.331 -2.482 20 0 CAADLO Cc1csc(C[NH2+][C@H](CO)CNC(=O)C(N)=O)n1 ZINC001278146326 780509844 /nfs/dbraw/zinc/50/98/44/780509844.db2.gz FTQJCNFSVILZFQ-ZETCQYMHSA-N 1 2 272.330 -1.496 20 0 CAADLO O=C(CCc1cnn[nH]1)NC[C@@H](CO)[NH2+]CCF ZINC001278155158 780510860 /nfs/dbraw/zinc/51/08/60/780510860.db2.gz NIVHLBSWUJKIEL-VIFPVBQESA-N 1 2 259.285 -1.227 20 0 CAADLO CC(=O)N1CC(=O)NC[C@@]12CC[N@@H+](Cc1cnnn1C)C2 ZINC001238160693 780514685 /nfs/dbraw/zinc/51/46/85/780514685.db2.gz RWRJJAKCZDJZEG-CYBMUJFWSA-N 1 2 292.343 -1.262 20 0 CAADLO CC(=O)N1CC(=O)NC[C@@]12CC[N@H+](Cc1cnnn1C)C2 ZINC001238160693 780514695 /nfs/dbraw/zinc/51/46/95/780514695.db2.gz RWRJJAKCZDJZEG-CYBMUJFWSA-N 1 2 292.343 -1.262 20 0 CAADLO [NH3+]CCS(=O)(=O)Nc1[nH]c(=O)nc2[nH]c(=O)[nH]c21 ZINC001238594647 780519945 /nfs/dbraw/zinc/51/99/45/780519945.db2.gz BLRCZTVGXUZFOC-UHFFFAOYSA-N 1 2 274.262 -1.536 20 0 CAADLO COC(=O)CS(=O)(=O)N[C@H]1C[NH2+]CCC1=O ZINC001238629564 780520299 /nfs/dbraw/zinc/52/02/99/780520299.db2.gz ZVVBLNNVFDVJBL-LURJTMIESA-N 1 2 250.276 -1.990 20 0 CAADLO Cn1cnc(S(=O)(=O)N[C@H]2C[NH2+]CCC2=O)c1 ZINC001238624879 780520328 /nfs/dbraw/zinc/52/03/28/780520328.db2.gz CPVQFTLHILRGRH-ZETCQYMHSA-N 1 2 258.303 -1.371 20 0 CAADLO Cc1nc(S(=O)(=O)N[C@H]2C[NH2+]CCC2=O)cn1C ZINC001238625980 780520344 /nfs/dbraw/zinc/52/03/44/780520344.db2.gz FWFKKAFPNGOIHD-QMMMGPOBSA-N 1 2 272.330 -1.062 20 0 CAADLO COC(=O)CCS(=O)(=O)N[C@@H]1C[NH2+]CCC1=O ZINC001238629307 780520599 /nfs/dbraw/zinc/52/05/99/780520599.db2.gz XKTIEOPFUSMJDN-SSDOTTSWSA-N 1 2 264.303 -1.600 20 0 CAADLO Cn1cc(S(=O)(=O)N[C@H]2C[NH2+]CCC2=O)cn1 ZINC001238628925 780520714 /nfs/dbraw/zinc/52/07/14/780520714.db2.gz VVGDLHJFRUHPLG-QMMMGPOBSA-N 1 2 258.303 -1.371 20 0 CAADLO Cc1nc(S(=O)(=O)N[C@@H]2C[NH2+]CCC2=O)cn1C ZINC001238625977 780520632 /nfs/dbraw/zinc/52/06/32/780520632.db2.gz FWFKKAFPNGOIHD-MRVPVSSYSA-N 1 2 272.330 -1.062 20 0 CAADLO CCOCCS(=O)(=O)N[C@H]1C[NH2+]CCC1=O ZINC001238628974 780520664 /nfs/dbraw/zinc/52/06/64/780520664.db2.gz WHMBBAGMFFWSSH-QMMMGPOBSA-N 1 2 250.320 -1.127 20 0 CAADLO Cn1ccnc1S(=O)(=O)N[C@@H]1C[NH2+]CCC1=O ZINC001238628870 780520877 /nfs/dbraw/zinc/52/08/77/780520877.db2.gz VEWJVLWIXCIIMS-SSDOTTSWSA-N 1 2 258.303 -1.371 20 0 CAADLO CS(=O)(=O)CS(=O)(=O)N[C@@H]1C[NH2+]CCC1=O ZINC001238627121 780520964 /nfs/dbraw/zinc/52/09/64/780520964.db2.gz KDKOVPVFTGXZEN-ZCFIWIBFSA-N 1 2 270.332 -2.161 20 0 CAADLO Cn1cnc(S(=O)(=O)N[C@@H]2C[NH2+]CCC2=O)c1 ZINC001238624877 780521017 /nfs/dbraw/zinc/52/10/17/780521017.db2.gz CPVQFTLHILRGRH-SSDOTTSWSA-N 1 2 258.303 -1.371 20 0 CAADLO C[C@@]1(NC(=O)CC(N)=O)CC[N@H+](CCS(C)(=O)=O)C1 ZINC001278376236 780537348 /nfs/dbraw/zinc/53/73/48/780537348.db2.gz YOXUBVZOUMJKGO-LLVKDONJSA-N 1 2 291.373 -1.513 20 0 CAADLO C[C@@]1(NC(=O)CC(N)=O)CC[N@@H+](CCS(C)(=O)=O)C1 ZINC001278376236 780537353 /nfs/dbraw/zinc/53/73/53/780537353.db2.gz YOXUBVZOUMJKGO-LLVKDONJSA-N 1 2 291.373 -1.513 20 0 CAADLO COC(=O)[C@H](O)C[N@@H+]1CCn2cnc(CO)c2C1 ZINC001246038601 780541738 /nfs/dbraw/zinc/54/17/38/780541738.db2.gz SGHZBIQKGMULKQ-SNVBAGLBSA-N 1 2 255.274 -1.275 20 0 CAADLO COC(=O)[C@H](O)C[N@H+]1CCn2cnc(CO)c2C1 ZINC001246038601 780541746 /nfs/dbraw/zinc/54/17/46/780541746.db2.gz SGHZBIQKGMULKQ-SNVBAGLBSA-N 1 2 255.274 -1.275 20 0 CAADLO COC(=O)C(N[C@@H]1C[NH2+][C@H](C(=O)OC)C1)C(=O)OC ZINC001246201011 780548240 /nfs/dbraw/zinc/54/82/40/780548240.db2.gz DNXGQVICOFBUGM-BQBZGAKWSA-N 1 2 274.273 -1.806 20 0 CAADLO COC(=O)[C@H](N[C@@H]1C[NH2+][C@H](C(=O)OC)C1)C(C)=O ZINC001246260956 780550185 /nfs/dbraw/zinc/55/01/85/780550185.db2.gz CEVLDEHAVXLLLL-XHNCKOQMSA-N 1 2 258.274 -1.390 20 0 CAADLO COC(=O)[C@@H]1C[C@H](Nc2cc(=O)n(C)c(=O)[nH]2)C[NH2+]1 ZINC001246278650 780551116 /nfs/dbraw/zinc/55/11/16/780551116.db2.gz LRPAGWLADWKOFF-BQBZGAKWSA-N 1 2 268.273 -1.199 20 0 CAADLO COC(=O)[C@@H]1C[C@H]([NH2+][C@H]2CNCCC2=O)CCN1 ZINC001246293813 780551232 /nfs/dbraw/zinc/55/12/32/780551232.db2.gz PLWMQLYKNNNFLE-UTLUCORTSA-N 1 2 255.318 -1.199 20 0 CAADLO COC(=O)[C@H](N[C@H]1C[NH2+][C@H](C(=O)OC)C1)[C@@H](C)O ZINC001246278244 780551347 /nfs/dbraw/zinc/55/13/47/780551347.db2.gz UDDVGVSNEVEHNY-LURQLKTLSA-N 1 2 260.290 -1.598 20 0 CAADLO COC(=O)[C@@H]1C[C@H](N[C@@]2(C(=O)OC)CCOC2)C[NH2+]1 ZINC001246493936 780554613 /nfs/dbraw/zinc/55/46/13/780554613.db2.gz GUUSPZBQFOABBQ-AUTRQRHGSA-N 1 2 272.301 -1.188 20 0 CAADLO COC(=O)[C@H](CON)N[C@@H]1C[NH2+][C@H](C(=O)OC)C1 ZINC001246498654 780555330 /nfs/dbraw/zinc/55/53/30/780555330.db2.gz ZVDBQHFNIHYRES-FXQIFTODSA-N 1 2 261.278 -2.089 20 0 CAADLO COC(=O)[C@@H]1CC[C@H]([N@@H+]2C[C@@H]3COC[C@H](C2)N3)CN1 ZINC001246678547 780561673 /nfs/dbraw/zinc/56/16/73/780561673.db2.gz XAAGAKXFOVQXBB-USZNOCQGSA-N 1 2 269.345 -1.047 20 0 CAADLO COC(=O)[C@@H]1CC[C@H]([N@H+]2C[C@@H]3COC[C@H](C2)N3)CN1 ZINC001246678547 780561676 /nfs/dbraw/zinc/56/16/76/780561676.db2.gz XAAGAKXFOVQXBB-USZNOCQGSA-N 1 2 269.345 -1.047 20 0 CAADLO COC(=O)[C@@H]1C[C@H](N2CCC3(CC2)CNC(=O)CO3)C[NH2+]1 ZINC001246872105 780564735 /nfs/dbraw/zinc/56/47/35/780564735.db2.gz FWCWDCMKYVXSHE-QWRGUYRKSA-N 1 2 297.355 -1.129 20 0 CAADLO COC(=O)CN1CC[NH+](C[C@H](O)C(=O)OC)CC1 ZINC001252421479 780585912 /nfs/dbraw/zinc/58/59/12/780585912.db2.gz IYHUODIKAQVQOM-VIFPVBQESA-N 1 2 260.290 -1.689 20 0 CAADLO COC(=O)[C@@H]1C[C@@H](N2CCNC(=O)[C@@H]2C(=O)OC)C[NH2+]1 ZINC001247005577 780566092 /nfs/dbraw/zinc/56/60/92/780566092.db2.gz SGQUIXNUSYEUMT-HRDYMLBCSA-N 1 2 285.300 -2.137 20 0 CAADLO COC(=O)[C@@H]1C[C@H](N2CCNC(=O)[C@@H]2C(=O)OC)C[NH2+]1 ZINC001247005581 780566637 /nfs/dbraw/zinc/56/66/37/780566637.db2.gz SGQUIXNUSYEUMT-XHNCKOQMSA-N 1 2 285.300 -2.137 20 0 CAADLO NC(=O)C([NH2+]C[C@@H](O)COc1cccc(F)c1)C(N)=O ZINC001250823167 780568931 /nfs/dbraw/zinc/56/89/31/780568931.db2.gz XGKCLNNENAYPLT-MRVPVSSYSA-N 1 2 285.275 -1.506 20 0 CAADLO O[C@H](CN1CC(N2CCOCC2)C1)C[NH+]1CCOCC1 ZINC001251016799 780569501 /nfs/dbraw/zinc/56/95/01/780569501.db2.gz ZAHRMBYZWJHYOE-AWEZNQCLSA-N 1 2 285.388 -1.304 20 0 CAADLO NC(=O)[C@H]1C[N@H+](C[C@@H](O)CN2CCOCC2)CCO1 ZINC001251019074 780569552 /nfs/dbraw/zinc/56/95/52/780569552.db2.gz QJDGXVWOJXFNLD-WDEREUQCSA-N 1 2 273.333 -2.134 20 0 CAADLO NC(=O)[C@H]1C[N@@H+](C[C@@H](O)CN2CCOCC2)CCO1 ZINC001251019074 780569560 /nfs/dbraw/zinc/56/95/60/780569560.db2.gz QJDGXVWOJXFNLD-WDEREUQCSA-N 1 2 273.333 -2.134 20 0 CAADLO NC(=O)[C@H]1CN(C[C@@H](O)C[NH+]2CCOCC2)CCO1 ZINC001251019074 780569570 /nfs/dbraw/zinc/56/95/70/780569570.db2.gz QJDGXVWOJXFNLD-WDEREUQCSA-N 1 2 273.333 -2.134 20 0 CAADLO C[C@H]1CN(C)C(=O)CN1C[C@H](O)C[NH+]1CCOCC1 ZINC001251020432 780569700 /nfs/dbraw/zinc/56/97/00/780569700.db2.gz FJHXFOPIVWGICG-NWDGAFQWSA-N 1 2 271.361 -1.158 20 0 CAADLO O=C1O[C@H]2C[C@@H]1N(C[C@@H](O)C[NH+]1CCOCC1)C2 ZINC001251024616 780569940 /nfs/dbraw/zinc/56/99/40/780569940.db2.gz QBOWJUDBZCFFSE-DCAQKATOSA-N 1 2 256.302 -1.321 20 0 CAADLO C[C@@H]1CN(C[C@H](O)C[NH+]2CCOCC2)CC(=O)N1 ZINC001251011476 780570172 /nfs/dbraw/zinc/57/01/72/780570172.db2.gz LBYMVKGPINWEIH-GHMZBOCLSA-N 1 2 257.334 -1.500 20 0 CAADLO CC(=O)N(C)C1CN(C[C@H](O)C[NH+]2CCOCC2)C1 ZINC001251016404 780570223 /nfs/dbraw/zinc/57/02/23/780570223.db2.gz UVHMKFRZCPPRGY-CYBMUJFWSA-N 1 2 271.361 -1.158 20 0 CAADLO O=C1CN(C[C@@H](O)C[NH+]2CCOCC2)C[C@H]2CCCN12 ZINC001251018299 780570235 /nfs/dbraw/zinc/57/02/35/780570235.db2.gz FUVRROROWOECHF-OLZOCXBDSA-N 1 2 283.372 -1.014 20 0 CAADLO O=C1C[N@H+](C[C@@H](O)CN2CCOCC2)C[C@H]2CCCN12 ZINC001251018299 780570241 /nfs/dbraw/zinc/57/02/41/780570241.db2.gz FUVRROROWOECHF-OLZOCXBDSA-N 1 2 283.372 -1.014 20 0 CAADLO O=C1C[N@@H+](C[C@@H](O)CN2CCOCC2)C[C@H]2CCCN12 ZINC001251018299 780570245 /nfs/dbraw/zinc/57/02/45/780570245.db2.gz FUVRROROWOECHF-OLZOCXBDSA-N 1 2 283.372 -1.014 20 0 CAADLO O=C1COC[C@H]2CN(C[C@@H](O)C[NH+]3CCOCC3)CCN12 ZINC001251021548 780570273 /nfs/dbraw/zinc/57/02/73/780570273.db2.gz ODIYMOLKBPOMIZ-OLZOCXBDSA-N 1 2 299.371 -1.778 20 0 CAADLO NC(=O)[C@H]1C[N@H+](C[C@H](O)CN2CCOCC2)CCO1 ZINC001251019071 780570734 /nfs/dbraw/zinc/57/07/34/780570734.db2.gz QJDGXVWOJXFNLD-GHMZBOCLSA-N 1 2 273.333 -2.134 20 0 CAADLO NC(=O)[C@H]1C[N@@H+](C[C@H](O)CN2CCOCC2)CCO1 ZINC001251019071 780570741 /nfs/dbraw/zinc/57/07/41/780570741.db2.gz QJDGXVWOJXFNLD-GHMZBOCLSA-N 1 2 273.333 -2.134 20 0 CAADLO NC(=O)[C@H]1CN(C[C@H](O)C[NH+]2CCOCC2)CCO1 ZINC001251019071 780570746 /nfs/dbraw/zinc/57/07/46/780570746.db2.gz QJDGXVWOJXFNLD-GHMZBOCLSA-N 1 2 273.333 -2.134 20 0 CAADLO OC[C@@H](O)C[N@@H+]1CCOC[C@@](O)(C(F)(F)F)C1 ZINC001252057151 780581019 /nfs/dbraw/zinc/58/10/19/780581019.db2.gz WBDQZZDCPVKWSC-JGVFFNPUSA-N 1 2 259.224 -1.035 20 0 CAADLO OC[C@@H](O)C[N@H+]1CCOC[C@@](O)(C(F)(F)F)C1 ZINC001252057151 780581024 /nfs/dbraw/zinc/58/10/24/780581024.db2.gz WBDQZZDCPVKWSC-JGVFFNPUSA-N 1 2 259.224 -1.035 20 0 CAADLO COC(=O)[C@@H]1C[N@H+](C[C@H](O)CO)CCN1C(C)=O ZINC001252062165 780582614 /nfs/dbraw/zinc/58/26/14/780582614.db2.gz INVAASANBOACSI-UWVGGRQHSA-N 1 2 260.290 -1.955 20 0 CAADLO COC(=O)[C@@H]1C[N@@H+](C[C@H](O)CO)CCN1C(C)=O ZINC001252062165 780582617 /nfs/dbraw/zinc/58/26/17/780582617.db2.gz INVAASANBOACSI-UWVGGRQHSA-N 1 2 260.290 -1.955 20 0 CAADLO CCOC(=O)CN1CC[NH+](C[C@H](O)C(=O)OC)CC1 ZINC001252407553 780584478 /nfs/dbraw/zinc/58/44/78/780584478.db2.gz IYPVCCVEYALDFN-JTQLQIEISA-N 1 2 274.317 -1.299 20 0 CAADLO COC(=O)[C@@H](O)C[NH+]1CCN([C@@H]2CCOC2)CC1 ZINC001252408281 780584487 /nfs/dbraw/zinc/58/44/87/780584487.db2.gz ZTZKIZFPZMZINV-MNOVXSKESA-N 1 2 258.318 -1.073 20 0 CAADLO COC(=O)[C@H](O)C[N@@H+]1CCN2C(=O)COC[C@@H]2C1 ZINC001252427325 780586193 /nfs/dbraw/zinc/58/61/93/780586193.db2.gz HOZFPCXOXXUAJC-DTWKUNHWSA-N 1 2 258.274 -1.937 20 0 CAADLO COC(=O)[C@H](O)C[N@H+]1CCN2C(=O)COC[C@@H]2C1 ZINC001252427325 780586197 /nfs/dbraw/zinc/58/61/97/780586197.db2.gz HOZFPCXOXXUAJC-DTWKUNHWSA-N 1 2 258.274 -1.937 20 0 CAADLO COC(=O)[C@@H](Cc1c[nH+]cn1C)NC[C@H](O)C(=O)OC ZINC001252443680 780587594 /nfs/dbraw/zinc/58/75/94/780587594.db2.gz GWHSUOVBCILFFD-ZJUUUORDSA-N 1 2 285.300 -1.372 20 0 CAADLO NC(=O)CN1C(=O)C(=O)N(CCC[NH+]2CCOCC2)C1=O ZINC001253049143 780590592 /nfs/dbraw/zinc/59/05/92/780590592.db2.gz MBBZQCVDKFZFRS-UHFFFAOYSA-N 1 2 298.299 -2.015 20 0 CAADLO CC(=O)NC[C@]1(O)CC[N@@H+](Cc2cn(C)nn2)C1 ZINC001278752770 780597327 /nfs/dbraw/zinc/59/73/27/780597327.db2.gz MSNCDQNACTWDEW-LLVKDONJSA-N 1 2 253.306 -1.112 20 0 CAADLO CC(=O)NC[C@]1(O)CC[N@H+](Cc2cn(C)nn2)C1 ZINC001278752770 780597332 /nfs/dbraw/zinc/59/73/32/780597332.db2.gz MSNCDQNACTWDEW-LLVKDONJSA-N 1 2 253.306 -1.112 20 0 CAADLO NC(=O)CC(=O)NC[C@]1(O)CC[N@H+](Cc2ncccn2)C1 ZINC001278766320 780600662 /nfs/dbraw/zinc/60/06/62/780600662.db2.gz IVBBWJSPRFLQSX-CYBMUJFWSA-N 1 2 293.327 -1.595 20 0 CAADLO NC(=O)CC(=O)NC[C@]1(O)CC[N@@H+](Cc2ncccn2)C1 ZINC001278766320 780600665 /nfs/dbraw/zinc/60/06/65/780600665.db2.gz IVBBWJSPRFLQSX-CYBMUJFWSA-N 1 2 293.327 -1.595 20 0 CAADLO NC(=O)CC(=O)NC[C@@]1(O)CC[N@H+](Cc2ncccn2)C1 ZINC001278766322 780601347 /nfs/dbraw/zinc/60/13/47/780601347.db2.gz IVBBWJSPRFLQSX-ZDUSSCGKSA-N 1 2 293.327 -1.595 20 0 CAADLO NC(=O)CC(=O)NC[C@@]1(O)CC[N@@H+](Cc2ncccn2)C1 ZINC001278766322 780601349 /nfs/dbraw/zinc/60/13/49/780601349.db2.gz IVBBWJSPRFLQSX-ZDUSSCGKSA-N 1 2 293.327 -1.595 20 0 CAADLO [NH3+][C@@H]1NCN([C@@H]2CCS(=O)(=O)C2)[C@H]2NCN[C@H]21 ZINC001254327560 780602968 /nfs/dbraw/zinc/60/29/68/780602968.db2.gz WCMUPPBEAWLRQE-BZNPZCIMSA-N 1 2 261.351 -2.834 20 0 CAADLO Cc1noc([C@H](C)[NH2+]C[C@@H](O)CN(C)C(=O)C(N)=O)n1 ZINC001278798213 780606632 /nfs/dbraw/zinc/60/66/32/780606632.db2.gz NPVMQRMJFPHKIP-POYBYMJQSA-N 1 2 285.304 -1.667 20 0 CAADLO Cc1noc([C@H](C)[N@@H+]2CC[C@@](O)(CNC(=O)C(N)=O)C2)n1 ZINC001278801572 780607873 /nfs/dbraw/zinc/60/78/73/780607873.db2.gz YHTZSGXDOPEGHC-JVXZTZIISA-N 1 2 297.315 -1.523 20 0 CAADLO Cc1noc([C@H](C)[N@H+]2CC[C@@](O)(CNC(=O)C(N)=O)C2)n1 ZINC001278801572 780607874 /nfs/dbraw/zinc/60/78/74/780607874.db2.gz YHTZSGXDOPEGHC-JVXZTZIISA-N 1 2 297.315 -1.523 20 0 CAADLO C[C@H](C[NH+](C)C)NS(=O)(=O)CS(C)(=O)=O ZINC001260594207 780652948 /nfs/dbraw/zinc/65/29/48/780652948.db2.gz KFZUVQDLTMYOFK-SSDOTTSWSA-N 1 2 258.365 -1.142 20 0 CAADLO [NH3+][C@@H]1NCN([C@H]2C[C@@H]3CC(=O)C[C@@H]3C2)[C@H]2NCN[C@@H]21 ZINC001254940445 780610138 /nfs/dbraw/zinc/61/01/38/780610138.db2.gz MBDIVLWHNJTMQI-HRFPIBQZSA-N 1 2 265.361 -1.263 20 0 CAADLO [NH3+][C@@H]1NCN([C@H]2C[C@@H]3CC(=O)C[C@@H]3C2)[C@@H]2NCN[C@@H]21 ZINC001254940461 780610151 /nfs/dbraw/zinc/61/01/51/780610151.db2.gz MBDIVLWHNJTMQI-UPQUFMOTSA-N 1 2 265.361 -1.263 20 0 CAADLO C[C@H](O)C[NH+]1CC(O)(CNC(=O)Cn2cccn2)C1 ZINC001278837879 780611513 /nfs/dbraw/zinc/61/15/13/780611513.db2.gz MUXKPWCLJUPNLO-JTQLQIEISA-N 1 2 268.317 -1.573 20 0 CAADLO COCCC[NH+]1CC(O)(CNC(=O)c2cn(C)nn2)C1 ZINC001278858180 780613791 /nfs/dbraw/zinc/61/37/91/780613791.db2.gz YKFAMMSWIHNLCA-UHFFFAOYSA-N 1 2 283.332 -1.372 20 0 CAADLO CC[NH+]1CC(O)(CNC(=O)CCNC(=O)NC)C1 ZINC001278856844 780614151 /nfs/dbraw/zinc/61/41/51/780614151.db2.gz AWCBOKCXNZEKCN-UHFFFAOYSA-N 1 2 258.322 -1.512 20 0 CAADLO CC(C)N(CC[N@H+](C)CC(=O)NC(N)=O)C(=O)C(N)=O ZINC001278917479 780620917 /nfs/dbraw/zinc/62/09/17/780620917.db2.gz CTYPSTCJFRFCGG-UHFFFAOYSA-N 1 2 287.320 -2.165 20 0 CAADLO CC(C)N(CC[N@@H+](C)CC(=O)NC(N)=O)C(=O)C(N)=O ZINC001278917479 780620921 /nfs/dbraw/zinc/62/09/21/780620921.db2.gz CTYPSTCJFRFCGG-UHFFFAOYSA-N 1 2 287.320 -2.165 20 0 CAADLO C[C@H](C[NH+]1CCOCC1)N(C)C(=S)NCC(N)=O ZINC001256183234 780621344 /nfs/dbraw/zinc/62/13/44/780621344.db2.gz BUEFRHNHLDBRBE-SECBINFHSA-N 1 2 274.390 -1.001 20 0 CAADLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=S)NCC(N)=O ZINC001256183235 780621519 /nfs/dbraw/zinc/62/15/19/780621519.db2.gz BUEFRHNHLDBRBE-VIFPVBQESA-N 1 2 274.390 -1.001 20 0 CAADLO O=C(NCC1(O)C[NH+](CCCO)C1)C1CC(=O)NC(=O)C1 ZINC001278913954 780621719 /nfs/dbraw/zinc/62/17/19/780621719.db2.gz NRXWNASOYNNBEG-UHFFFAOYSA-N 1 2 299.327 -2.416 20 0 CAADLO [NH3+][C@@H]1NCN(C2CCS(=O)(=O)CC2)[C@H]2NCN[C@@H]21 ZINC001256383535 780623641 /nfs/dbraw/zinc/62/36/41/780623641.db2.gz JYDPUFXWUIYZOT-OPRDCNLKSA-N 1 2 275.378 -2.444 20 0 CAADLO [NH3+][C@@H]1NCN(C2CCS(=O)(=O)CC2)[C@@H]2NCN[C@H]21 ZINC001256383532 780623882 /nfs/dbraw/zinc/62/38/82/780623882.db2.gz JYDPUFXWUIYZOT-AEJSXWLSSA-N 1 2 275.378 -2.444 20 0 CAADLO CN(C)C(=O)CNC(=O)C(=O)N(C)CCCn1cc[nH+]c1 ZINC001257119685 780627376 /nfs/dbraw/zinc/62/73/76/780627376.db2.gz YSQMYXTWYFHAOS-UHFFFAOYSA-N 1 2 295.343 -1.064 20 0 CAADLO C[C@]1(NC(=O)CC(N)=O)CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001299520759 780634958 /nfs/dbraw/zinc/63/49/58/780634958.db2.gz RCPWCTJZJHFSJO-ZDUSSCGKSA-N 1 2 293.327 -1.134 20 0 CAADLO COC(=O)CS(=O)(=O)N1CC[NH+](CCCO)CC1 ZINC001259020091 780636297 /nfs/dbraw/zinc/63/62/97/780636297.db2.gz DVHZBWMKEZWGGC-UHFFFAOYSA-N 1 2 280.346 -1.511 20 0 CAADLO COC(=O)[C@@H](Cc1c[nH+]cn1C)NS(N)(=O)=O ZINC001260083613 780647666 /nfs/dbraw/zinc/64/76/66/780647666.db2.gz AOGAPXKMRGSTKU-SSDOTTSWSA-N 1 2 262.291 -1.703 20 0 CAADLO CC[NH+]1CCN(C(=O)C(=O)NCc2ncn(C)n2)CC1 ZINC001260118102 780648758 /nfs/dbraw/zinc/64/87/58/780648758.db2.gz SXCGIFRGNLBHLR-UHFFFAOYSA-N 1 2 280.332 -1.405 20 0 CAADLO C[NH+](C)[C@H]1CCN(S(=O)(=O)CS(C)(=O)=O)C1 ZINC001260583775 780651264 /nfs/dbraw/zinc/65/12/64/780651264.db2.gz NBWBZJPIPXNXOK-QMMMGPOBSA-N 1 2 270.376 -1.046 20 0 CAADLO Cn1c[nH+]c(CCNS(=O)(=O)CS(C)(=O)=O)c1 ZINC001260593433 780652938 /nfs/dbraw/zinc/65/29/38/780652938.db2.gz MOWOHAKRYMOITI-UHFFFAOYSA-N 1 2 281.359 -1.116 20 0 CAADLO C[C@H](O)C[NH+]1CCN(C(=O)C(=O)N2CCC[C@@H](O)C2)CC1 ZINC001261522402 780669609 /nfs/dbraw/zinc/66/96/09/780669609.db2.gz UIVUWVABVNVKEM-NWDGAFQWSA-N 1 2 299.371 -1.505 20 0 CAADLO Cn1cc(CNC(=O)C(=O)N2CC[NH+](C3CC3)CC2)nn1 ZINC001261529571 780670630 /nfs/dbraw/zinc/67/06/30/780670630.db2.gz GDWGETDNKHMYQN-UHFFFAOYSA-N 1 2 292.343 -1.262 20 0 CAADLO O=C(Cn1[nH]cc2c(=O)ncnc1-2)N[C@H]1CC[NH2+]C1 ZINC001261632356 780673839 /nfs/dbraw/zinc/67/38/39/780673839.db2.gz YERNWUQLWLTXNN-ZETCQYMHSA-N 1 2 262.273 -1.451 20 0 CAADLO Cc1[nH+]c[nH]c1CNC(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1 ZINC001261714772 780679475 /nfs/dbraw/zinc/67/94/75/780679475.db2.gz RGOFYTXDSAPCAP-GMTAPVOTSA-N 1 2 267.285 -1.253 20 0 CAADLO CNC(=O)[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CCO1 ZINC001261737113 780680775 /nfs/dbraw/zinc/68/07/75/780680775.db2.gz DPEYFDPDVKTDMU-MRVPVSSYSA-N 1 2 252.274 -1.074 20 0 CAADLO O=C(C[C@@H]1NC(=O)NC1=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC001261773067 780683163 /nfs/dbraw/zinc/68/31/63/780683163.db2.gz RPRUKRJWJZOPGX-UWVGGRQHSA-N 1 2 296.327 -1.482 20 0 CAADLO CNC(=O)[C@@H](O)CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001261772337 780683186 /nfs/dbraw/zinc/68/31/86/780683186.db2.gz VWSCOYCGUMQJJY-BDAKNGLRSA-N 1 2 266.301 -1.331 20 0 CAADLO CNC(=O)[C@@H](O)CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001261772339 780683413 /nfs/dbraw/zinc/68/34/13/780683413.db2.gz VWSCOYCGUMQJJY-IUCAKERBSA-N 1 2 266.301 -1.331 20 0 CAADLO Cn1cnn(CC(=O)NCc2c[nH+]cn2C)c1=O ZINC001261911586 780693049 /nfs/dbraw/zinc/69/30/49/780693049.db2.gz HXLQNUYKLQPVKH-UHFFFAOYSA-N 1 2 250.262 -1.368 20 0 CAADLO C[NH+]1CCN(C2CN(C(=O)Cc3ncn[nH]3)C2)CC1 ZINC001262172615 780701681 /nfs/dbraw/zinc/70/16/81/780701681.db2.gz DWDJSERBKXVLHJ-UHFFFAOYSA-N 1 2 264.333 -1.195 20 0 CAADLO O=C(CO)NCCC(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC001262181161 780701876 /nfs/dbraw/zinc/70/18/76/780701876.db2.gz DNQWTRUWGSHVJK-SECBINFHSA-N 1 2 266.301 -1.187 20 0 CAADLO C[C@H](C(=O)N1CC[N@H+](C)[C@H](CO)C1)N1C(=O)CCC1=O ZINC001262185781 780703060 /nfs/dbraw/zinc/70/30/60/780703060.db2.gz AEGSUWMZLYCLQV-ZJUUUORDSA-N 1 2 283.328 -1.341 20 0 CAADLO C[C@H](C(=O)N1CC[N@@H+](C)[C@H](CO)C1)N1C(=O)CCC1=O ZINC001262185781 780703062 /nfs/dbraw/zinc/70/30/62/780703062.db2.gz AEGSUWMZLYCLQV-ZJUUUORDSA-N 1 2 283.328 -1.341 20 0 CAADLO Cn1c[nH+]cc1[C@@H](CO)NC(=O)[C@H]1OCCN(C)C1=O ZINC001262185000 780703088 /nfs/dbraw/zinc/70/30/88/780703088.db2.gz YWYMQNHVTSMJNP-PSASIEDQSA-N 1 2 282.300 -1.573 20 0 CAADLO C[C@@H](C(=O)N1CC[N@H+](C)[C@H](CO)C1)N1C(=O)CCC1=O ZINC001262185779 780703145 /nfs/dbraw/zinc/70/31/45/780703145.db2.gz AEGSUWMZLYCLQV-UWVGGRQHSA-N 1 2 283.328 -1.341 20 0 CAADLO C[C@@H](C(=O)N1CC[N@@H+](C)[C@H](CO)C1)N1C(=O)CCC1=O ZINC001262185779 780703149 /nfs/dbraw/zinc/70/31/49/780703149.db2.gz AEGSUWMZLYCLQV-UWVGGRQHSA-N 1 2 283.328 -1.341 20 0 CAADLO NS(=O)(=O)CCC[N@@H+]1CCOC[C@H]1CCO ZINC001262241596 780705290 /nfs/dbraw/zinc/70/52/90/780705290.db2.gz DFKOBEYCAHZOBG-SECBINFHSA-N 1 2 252.336 -1.252 20 0 CAADLO NS(=O)(=O)CCC[N@H+]1CCOC[C@H]1CCO ZINC001262241596 780705297 /nfs/dbraw/zinc/70/52/97/780705297.db2.gz DFKOBEYCAHZOBG-SECBINFHSA-N 1 2 252.336 -1.252 20 0 CAADLO C[C@H](C[S@@](C)=O)NC(=O)C(=O)NC[C@@H]1CC[N@@H+]1C ZINC001262281314 780706498 /nfs/dbraw/zinc/70/64/98/780706498.db2.gz RPLAJCTWOFDLQL-SNFQMMDSSA-N 1 2 275.374 -1.310 20 0 CAADLO C[C@H](C[S@@](C)=O)NC(=O)C(=O)NC[C@@H]1CC[N@H+]1C ZINC001262281314 780706501 /nfs/dbraw/zinc/70/65/01/780706501.db2.gz RPLAJCTWOFDLQL-SNFQMMDSSA-N 1 2 275.374 -1.310 20 0 CAADLO C[C@H](C[S@@](C)=O)NC(=O)C(=O)NC[C@H]1CC[N@@H+]1C ZINC001262281311 780707256 /nfs/dbraw/zinc/70/72/56/780707256.db2.gz RPLAJCTWOFDLQL-CXNNERTKSA-N 1 2 275.374 -1.310 20 0 CAADLO C[C@H](C[S@@](C)=O)NC(=O)C(=O)NC[C@H]1CC[N@H+]1C ZINC001262281311 780707260 /nfs/dbraw/zinc/70/72/60/780707260.db2.gz RPLAJCTWOFDLQL-CXNNERTKSA-N 1 2 275.374 -1.310 20 0 CAADLO C[C@H](C[S@](C)=O)NC(=O)C(=O)NC[C@@H]1CC[N@@H+]1C ZINC001262281312 780707408 /nfs/dbraw/zinc/70/74/08/780707408.db2.gz RPLAJCTWOFDLQL-IDHHQXPSSA-N 1 2 275.374 -1.310 20 0 CAADLO C[C@H](C[S@](C)=O)NC(=O)C(=O)NC[C@@H]1CC[N@H+]1C ZINC001262281312 780707411 /nfs/dbraw/zinc/70/74/11/780707411.db2.gz RPLAJCTWOFDLQL-IDHHQXPSSA-N 1 2 275.374 -1.310 20 0 CAADLO C[C@H](C[S@](C)=O)NC(=O)C(=O)NC[C@H]1CC[N@@H+]1C ZINC001262281313 780707511 /nfs/dbraw/zinc/70/75/11/780707511.db2.gz RPLAJCTWOFDLQL-OOSSNNJISA-N 1 2 275.374 -1.310 20 0 CAADLO C[C@H](C[S@](C)=O)NC(=O)C(=O)NC[C@H]1CC[N@H+]1C ZINC001262281313 780707513 /nfs/dbraw/zinc/70/75/13/780707513.db2.gz RPLAJCTWOFDLQL-OOSSNNJISA-N 1 2 275.374 -1.310 20 0 CAADLO CCn1cc(C[NH2+]CC(=O)NCC(=O)OC)nn1 ZINC001262374177 780710731 /nfs/dbraw/zinc/71/07/31/780710731.db2.gz VYIIRWBKRPKOLL-UHFFFAOYSA-N 1 2 255.278 -1.323 20 0 CAADLO O=C(N[C@H]1CNOC1)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC001262544019 780713942 /nfs/dbraw/zinc/71/39/42/780713942.db2.gz QTGDPNJQMORXQM-BDAKNGLRSA-N 1 2 279.300 -1.666 20 0 CAADLO Cn1cnc(CNC(=O)CN2CC[NH2+]CC2=O)c1 ZINC001263248309 780725357 /nfs/dbraw/zinc/72/53/57/780725357.db2.gz ZSQQYQHTRMVKDE-UHFFFAOYSA-N 1 2 251.290 -1.532 20 0 CAADLO O=C(CN1CC[NH2+]CC1=O)N[C@@H]1C[C@@H]2CC[C@H]1O2 ZINC001263344173 780726277 /nfs/dbraw/zinc/72/62/77/780726277.db2.gz XPRABZNVUGDZMD-IVZWLZJFSA-N 1 2 253.302 -1.146 20 0 CAADLO CN(C[C@H]1CC[N@@H+]1[C@@H]1CCCNC1=O)C(=O)C(N)=O ZINC001263809328 780730710 /nfs/dbraw/zinc/73/07/10/780730710.db2.gz KKMQBJFFQOZBPO-RKDXNWHRSA-N 1 2 268.317 -1.717 20 0 CAADLO CN(C[C@H]1CC[N@H+]1[C@@H]1CCCNC1=O)C(=O)C(N)=O ZINC001263809328 780730711 /nfs/dbraw/zinc/73/07/11/780730711.db2.gz KKMQBJFFQOZBPO-RKDXNWHRSA-N 1 2 268.317 -1.717 20 0 CAADLO CN(C[C@H]1CC[N@@H+]1[C@H]1CCCN(C)C1=O)C(=O)C(N)=O ZINC001263809926 780730734 /nfs/dbraw/zinc/73/07/34/780730734.db2.gz QNSSULGUBLEPEP-ZJUUUORDSA-N 1 2 282.344 -1.375 20 0 CAADLO CN(C[C@H]1CC[N@H+]1[C@H]1CCCN(C)C1=O)C(=O)C(N)=O ZINC001263809926 780730736 /nfs/dbraw/zinc/73/07/36/780730736.db2.gz QNSSULGUBLEPEP-ZJUUUORDSA-N 1 2 282.344 -1.375 20 0 CAADLO O=C(Cn1ncnn1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC001263854957 780731289 /nfs/dbraw/zinc/73/12/89/780731289.db2.gz VLOKPTIUUFJUJK-SNVBAGLBSA-N 1 2 266.305 -1.394 20 0 CAADLO O=C(Cn1cc[nH+]c1)N1CC2(C1)C[C@@H](O)CNC2=O ZINC001263931285 780733183 /nfs/dbraw/zinc/73/31/83/780733183.db2.gz QMLGDECLSUSGGT-SECBINFHSA-N 1 2 264.285 -1.408 20 0 CAADLO O=C(Cn1cc[nH+]c1)N1CC2(C1)C[C@H](O)CNC2=O ZINC001263931286 780733264 /nfs/dbraw/zinc/73/32/64/780733264.db2.gz QMLGDECLSUSGGT-VIFPVBQESA-N 1 2 264.285 -1.408 20 0 CAADLO C[N@@H+]1CCN(C(=O)c2cnn(CCO)c2)C[C@H]1CO ZINC001263870839 780733272 /nfs/dbraw/zinc/73/32/72/780733272.db2.gz KLSDOKAMCQTNMS-NSHDSACASA-N 1 2 268.317 -1.376 20 0 CAADLO C[N@H+]1CCN(C(=O)c2cnn(CCO)c2)C[C@H]1CO ZINC001263870839 780733275 /nfs/dbraw/zinc/73/32/75/780733275.db2.gz KLSDOKAMCQTNMS-NSHDSACASA-N 1 2 268.317 -1.376 20 0 CAADLO CC(C)NC(=O)NCC[N@@H+]1CC[C@@H]1CN(C)C(=O)C(N)=O ZINC001264370506 780736226 /nfs/dbraw/zinc/73/62/26/780736226.db2.gz DPXNPIFLAIXMBS-SNVBAGLBSA-N 1 2 299.375 -1.288 20 0 CAADLO CC(C)NC(=O)NCC[N@H+]1CC[C@@H]1CN(C)C(=O)C(N)=O ZINC001264370506 780736230 /nfs/dbraw/zinc/73/62/30/780736230.db2.gz DPXNPIFLAIXMBS-SNVBAGLBSA-N 1 2 299.375 -1.288 20 0 CAADLO NC(=O)C[NH2+]Cc1nc2c(s1)CCN(C(=O)C(N)=O)C2 ZINC001264190167 780736559 /nfs/dbraw/zinc/73/65/59/780736559.db2.gz YLRUZXQSYDPULL-UHFFFAOYSA-N 1 2 297.340 -1.912 20 0 CAADLO CNC(=O)C1(C(=O)N(C)C[C@@H]2CC[N@@H+]2[C@H](C)C(N)=O)CC1 ZINC001264374169 780736970 /nfs/dbraw/zinc/73/69/70/780736970.db2.gz AZCAXCODUDUFJD-ZJUUUORDSA-N 1 2 296.371 -1.081 20 0 CAADLO CNC(=O)C1(C(=O)N(C)C[C@@H]2CC[N@H+]2[C@H](C)C(N)=O)CC1 ZINC001264374169 780736975 /nfs/dbraw/zinc/73/69/75/780736975.db2.gz AZCAXCODUDUFJD-ZJUUUORDSA-N 1 2 296.371 -1.081 20 0 CAADLO CN(C)c1noc(C[N@H+](C)CCCNC(=O)CC(N)=O)n1 ZINC001264973305 780740177 /nfs/dbraw/zinc/74/01/77/780740177.db2.gz RJSHZBLLEFIBAP-UHFFFAOYSA-N 1 2 298.347 -1.051 20 0 CAADLO CN(C)c1noc(C[N@@H+](C)CCCNC(=O)CC(N)=O)n1 ZINC001264973305 780740183 /nfs/dbraw/zinc/74/01/83/780740183.db2.gz RJSHZBLLEFIBAP-UHFFFAOYSA-N 1 2 298.347 -1.051 20 0 CAADLO C[C@@H]1[C@@H](NC(=O)C(N)=O)CC[N@@H+]1CC(=O)NC(C)(C)C ZINC001264716333 780740596 /nfs/dbraw/zinc/74/05/96/780740596.db2.gz FJCCOJXSYWDKPB-BDAKNGLRSA-N 1 2 284.360 -1.035 20 0 CAADLO C[C@@H]1[C@@H](NC(=O)C(N)=O)CC[N@H+]1CC(=O)NC(C)(C)C ZINC001264716333 780740600 /nfs/dbraw/zinc/74/06/00/780740600.db2.gz FJCCOJXSYWDKPB-BDAKNGLRSA-N 1 2 284.360 -1.035 20 0 CAADLO Cc1nonc1C[N@H+](C)CCCNC(=O)[C@@H]1CNC(=O)N1 ZINC001265029022 780741938 /nfs/dbraw/zinc/74/19/38/780741938.db2.gz PZHORXGBHIKHOC-VIFPVBQESA-N 1 2 296.331 -1.002 20 0 CAADLO Cc1nonc1C[N@@H+](C)CCCNC(=O)[C@@H]1CNC(=O)N1 ZINC001265029022 780741942 /nfs/dbraw/zinc/74/19/42/780741942.db2.gz PZHORXGBHIKHOC-VIFPVBQESA-N 1 2 296.331 -1.002 20 0 CAADLO Cc1nnc(C[N@@H+](C)CCCNC(=O)c2nnn(C)n2)[nH]1 ZINC001265022901 780741965 /nfs/dbraw/zinc/74/19/65/780741965.db2.gz PAUSQLKPYZPMMX-UHFFFAOYSA-N 1 2 293.335 -1.111 20 0 CAADLO Cc1nnc(C[N@H+](C)CCCNC(=O)c2nnn(C)n2)[nH]1 ZINC001265022901 780741968 /nfs/dbraw/zinc/74/19/68/780741968.db2.gz PAUSQLKPYZPMMX-UHFFFAOYSA-N 1 2 293.335 -1.111 20 0 CAADLO Cc1nn[nH]c1C(=O)NCCC[NH+]1CCN(CCO)CC1 ZINC001265247318 780743288 /nfs/dbraw/zinc/74/32/88/780743288.db2.gz HIGOHHLTMYZLAY-UHFFFAOYSA-N 1 2 296.375 -1.157 20 0 CAADLO COCCOCC(=O)N[C@H]1CC[N@@H+]([C@@H](C)C(N)=O)C1 ZINC001265277963 780745107 /nfs/dbraw/zinc/74/51/07/780745107.db2.gz XPNVWBYLHVRHLV-UWVGGRQHSA-N 1 2 273.333 -1.286 20 0 CAADLO COCCOCC(=O)N[C@H]1CC[N@H+]([C@@H](C)C(N)=O)C1 ZINC001265277963 780745115 /nfs/dbraw/zinc/74/51/15/780745115.db2.gz XPNVWBYLHVRHLV-UWVGGRQHSA-N 1 2 273.333 -1.286 20 0 CAADLO NC(=O)C1(C(=O)NCC[NH+]2CCN(CCF)CC2)CC1 ZINC001265262624 780745230 /nfs/dbraw/zinc/74/52/30/780745230.db2.gz FSRPPFURNHQAEI-UHFFFAOYSA-N 1 2 286.351 -1.045 20 0 CAADLO NC(=O)CC(=O)NCC[NH+]1CCN(Cc2ccon2)CC1 ZINC001265257915 780745329 /nfs/dbraw/zinc/74/53/29/780745329.db2.gz SHHNIOYAWRPGRA-UHFFFAOYSA-N 1 2 295.343 -1.216 20 0 CAADLO CC[C@H](C(N)=O)[NH+]1CCN(CCCNC(=O)C(N)=O)CC1 ZINC001265249968 780745365 /nfs/dbraw/zinc/74/53/65/780745365.db2.gz URNMWZDFIBATLT-SNVBAGLBSA-N 1 2 299.375 -2.141 20 0 CAADLO CC(=O)NCC[NH+]1CCN(Cc2nnnn2C)CC1 ZINC001265254297 780745391 /nfs/dbraw/zinc/74/53/91/780745391.db2.gz GKXHJUYASSUSJV-UHFFFAOYSA-N 1 2 267.337 -1.536 20 0 CAADLO NC(=O)NC(=O)C[N@@H+]1CC[C@H](NC(=O)C2CC2)C1 ZINC001265266655 780745553 /nfs/dbraw/zinc/74/55/53/780745553.db2.gz WHNVJUCRYOGHHH-QMMMGPOBSA-N 1 2 254.290 -1.218 20 0 CAADLO NC(=O)NC(=O)C[N@H+]1CC[C@H](NC(=O)C2CC2)C1 ZINC001265266655 780745555 /nfs/dbraw/zinc/74/55/55/780745555.db2.gz WHNVJUCRYOGHHH-QMMMGPOBSA-N 1 2 254.290 -1.218 20 0 CAADLO CNC(=O)[C@H](C)[NH+]1CCN(CCNC(=O)CC(N)=O)CC1 ZINC001265257288 780745567 /nfs/dbraw/zinc/74/55/67/780745567.db2.gz AQXRBDJZRVZRNQ-JTQLQIEISA-N 1 2 299.375 -2.270 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)CCc2nnc[nH]2)C1 ZINC001265276220 780745576 /nfs/dbraw/zinc/74/55/76/780745576.db2.gz AMCAAARWFQFMNV-MRVPVSSYSA-N 1 2 266.305 -1.587 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)CCc2nnc[nH]2)C1 ZINC001265276220 780745578 /nfs/dbraw/zinc/74/55/78/780745578.db2.gz AMCAAARWFQFMNV-MRVPVSSYSA-N 1 2 266.305 -1.587 20 0 CAADLO CNC(=O)[C@@H](C)[NH+]1CCN(CCNC(=O)CC(N)=O)CC1 ZINC001265257289 780745621 /nfs/dbraw/zinc/74/56/21/780745621.db2.gz AQXRBDJZRVZRNQ-SNVBAGLBSA-N 1 2 299.375 -2.270 20 0 CAADLO COCCCNC(=O)C[N@@H+]1CC[C@H](NC(=O)COC)C1 ZINC001265267988 780745669 /nfs/dbraw/zinc/74/56/69/780745669.db2.gz HCZGGENEJVNSRQ-NSHDSACASA-N 1 2 287.360 -1.024 20 0 CAADLO COCCCNC(=O)C[N@H+]1CC[C@H](NC(=O)COC)C1 ZINC001265267988 780745672 /nfs/dbraw/zinc/74/56/72/780745672.db2.gz HCZGGENEJVNSRQ-NSHDSACASA-N 1 2 287.360 -1.024 20 0 CAADLO O=C(CCc1cnn[nH]1)N[C@@H]1CC[N@@H+](CCOCCO)C1 ZINC001265303988 780746312 /nfs/dbraw/zinc/74/63/12/780746312.db2.gz SXOYPPJDNRFCQH-GFCCVEGCSA-N 1 2 297.359 -1.063 20 0 CAADLO O=C(CCc1cnn[nH]1)N[C@@H]1CC[N@H+](CCOCCO)C1 ZINC001265303988 780746319 /nfs/dbraw/zinc/74/63/19/780746319.db2.gz SXOYPPJDNRFCQH-GFCCVEGCSA-N 1 2 297.359 -1.063 20 0 CAADLO CC[C@@]1(C(=O)N[C@H]2CC[N@H+](CC(=O)NC)C2)CCNC1=O ZINC001265287562 780746405 /nfs/dbraw/zinc/74/64/05/780746405.db2.gz CITZUAYIMDZEGS-IINYFYTJSA-N 1 2 296.371 -1.161 20 0 CAADLO CC[C@@]1(C(=O)N[C@H]2CC[N@@H+](CC(=O)NC)C2)CCNC1=O ZINC001265287562 780746407 /nfs/dbraw/zinc/74/64/07/780746407.db2.gz CITZUAYIMDZEGS-IINYFYTJSA-N 1 2 296.371 -1.161 20 0 CAADLO CS(=O)(=O)NCC[N@@H+]1CC[C@H](NC(=O)C(N)=O)C1 ZINC001265301784 780746720 /nfs/dbraw/zinc/74/67/20/780746720.db2.gz RJAMPLDDCKWQMI-ZETCQYMHSA-N 1 2 278.334 -2.789 20 0 CAADLO CS(=O)(=O)NCC[N@H+]1CC[C@H](NC(=O)C(N)=O)C1 ZINC001265301784 780746723 /nfs/dbraw/zinc/74/67/23/780746723.db2.gz RJAMPLDDCKWQMI-ZETCQYMHSA-N 1 2 278.334 -2.789 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)CCCNC(=O)C2CC2)C1 ZINC001265288477 780747071 /nfs/dbraw/zinc/74/70/71/780747071.db2.gz URSGJTZOBHCBOM-LLVKDONJSA-N 1 2 296.371 -1.031 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)CCCNC(=O)C2CC2)C1 ZINC001265288477 780747077 /nfs/dbraw/zinc/74/70/77/780747077.db2.gz URSGJTZOBHCBOM-LLVKDONJSA-N 1 2 296.371 -1.031 20 0 CAADLO CN1CC(C(=O)N[C@H]2CC[N@H+](CCOCCO)C2)=NC1=O ZINC001265301013 780747494 /nfs/dbraw/zinc/74/74/94/780747494.db2.gz BMXAQAHBNDQHRN-JTQLQIEISA-N 1 2 298.343 -1.061 20 0 CAADLO CN1CC(C(=O)N[C@H]2CC[N@@H+](CCOCCO)C2)=NC1=O ZINC001265301013 780747501 /nfs/dbraw/zinc/74/75/01/780747501.db2.gz BMXAQAHBNDQHRN-JTQLQIEISA-N 1 2 298.343 -1.061 20 0 CAADLO CCOC(=O)C[C@H](O)C[NH+]1CCN(CC(N)=O)CC1 ZINC000700789751 780750308 /nfs/dbraw/zinc/75/03/08/780750308.db2.gz XFQAXJFOEILNQA-JTQLQIEISA-N 1 2 273.333 -1.597 20 0 CAADLO COCC(=O)N[C@H]1C[C@H]([NH2+]Cc2nnn(C)n2)C1 ZINC001265462814 780750831 /nfs/dbraw/zinc/75/08/31/780750831.db2.gz NXRWADXQZZMBSD-ZKCHVHJHSA-N 1 2 254.294 -1.407 20 0 CAADLO NC(=O)C(=O)NC[C@H]1CCC[N@H+](Cc2cnon2)C1 ZINC001265591375 780753940 /nfs/dbraw/zinc/75/39/40/780753940.db2.gz SXRUIWSQWINBIC-MRVPVSSYSA-N 1 2 267.289 -1.117 20 0 CAADLO NC(=O)C(=O)NC[C@H]1CCC[N@@H+](Cc2cnon2)C1 ZINC001265591375 780753945 /nfs/dbraw/zinc/75/39/45/780753945.db2.gz SXRUIWSQWINBIC-MRVPVSSYSA-N 1 2 267.289 -1.117 20 0 CAADLO Cn1[nH]c(C[N@@H+]2CCC[C@@H](CNC(=O)C(N)=O)C2)nc1=O ZINC001265590460 780754015 /nfs/dbraw/zinc/75/40/15/780754015.db2.gz AGVPGNKOIVTGPY-QMMMGPOBSA-N 1 2 296.331 -2.078 20 0 CAADLO Cn1[nH]c(C[N@H+]2CCC[C@@H](CNC(=O)C(N)=O)C2)nc1=O ZINC001265590460 780754022 /nfs/dbraw/zinc/75/40/22/780754022.db2.gz AGVPGNKOIVTGPY-QMMMGPOBSA-N 1 2 296.331 -2.078 20 0 CAADLO C[C@@H](CNC(=O)C(C)(C)C(N)=O)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001265788130 780758720 /nfs/dbraw/zinc/75/87/20/780758720.db2.gz GQXDGMHFVDPJAS-ZETCQYMHSA-N 1 2 298.347 -1.786 20 0 CAADLO C[N@H+](CCCNC(=O)CC(N)=O)CCS(C)(=O)=O ZINC001265816923 780759624 /nfs/dbraw/zinc/75/96/24/780759624.db2.gz GSVQKEUKOYIGAO-UHFFFAOYSA-N 1 2 279.362 -1.656 20 0 CAADLO C[N@@H+](CCCNC(=O)CC(N)=O)CCS(C)(=O)=O ZINC001265816923 780759627 /nfs/dbraw/zinc/75/96/27/780759627.db2.gz GSVQKEUKOYIGAO-UHFFFAOYSA-N 1 2 279.362 -1.656 20 0 CAADLO Cn1cc(C[N@H+](C)CCCNC(=O)[C@@H]2COC(=O)N2)nn1 ZINC001265837729 780762245 /nfs/dbraw/zinc/76/22/45/780762245.db2.gz PURPFKKPNCEUPC-JTQLQIEISA-N 1 2 296.331 -1.138 20 0 CAADLO Cn1cc(C[N@@H+](C)CCCNC(=O)[C@@H]2COC(=O)N2)nn1 ZINC001265837729 780762249 /nfs/dbraw/zinc/76/22/49/780762249.db2.gz PURPFKKPNCEUPC-JTQLQIEISA-N 1 2 296.331 -1.138 20 0 CAADLO Cn1cc(C[N@H+](C)CCCNC(=O)[C@H]2CCNC2=O)nn1 ZINC001265901984 780763340 /nfs/dbraw/zinc/76/33/40/780763340.db2.gz GXNRFOUQPOKPFH-LLVKDONJSA-N 1 2 294.359 -1.111 20 0 CAADLO Cn1cc(C[N@@H+](C)CCCNC(=O)[C@H]2CCNC2=O)nn1 ZINC001265901984 780763344 /nfs/dbraw/zinc/76/33/44/780763344.db2.gz GXNRFOUQPOKPFH-LLVKDONJSA-N 1 2 294.359 -1.111 20 0 CAADLO CNC(=O)C[N@H+](C)CCCNC(=O)C1=NC(=O)N(C)C1 ZINC001265917123 780765158 /nfs/dbraw/zinc/76/51/58/780765158.db2.gz CRHUBOYPISANGC-UHFFFAOYSA-N 1 2 283.332 -1.077 20 0 CAADLO CNC(=O)C[N@@H+](C)CCCNC(=O)C1=NC(=O)N(C)C1 ZINC001265917123 780765163 /nfs/dbraw/zinc/76/51/63/780765163.db2.gz CRHUBOYPISANGC-UHFFFAOYSA-N 1 2 283.332 -1.077 20 0 CAADLO CC[N@H+](CCCNC(=O)C(N)=O)Cc1ncnn1C ZINC001266077763 780769365 /nfs/dbraw/zinc/76/93/65/780769365.db2.gz SWQKRESQZWRPKZ-UHFFFAOYSA-N 1 2 268.321 -1.371 20 0 CAADLO CC[N@@H+](CCCNC(=O)C(N)=O)Cc1ncnn1C ZINC001266077763 780769369 /nfs/dbraw/zinc/76/93/69/780769369.db2.gz SWQKRESQZWRPKZ-UHFFFAOYSA-N 1 2 268.321 -1.371 20 0 CAADLO CCN(C)C(=O)C[N@@H+]1CCC[C@@H](NC(=O)C(N)=O)C1 ZINC001266236853 780772037 /nfs/dbraw/zinc/77/20/37/780772037.db2.gz OIBWQNKIISNECR-SECBINFHSA-N 1 2 270.333 -1.469 20 0 CAADLO CCN(C)C(=O)C[N@H+]1CCC[C@@H](NC(=O)C(N)=O)C1 ZINC001266236853 780772041 /nfs/dbraw/zinc/77/20/41/780772041.db2.gz OIBWQNKIISNECR-SECBINFHSA-N 1 2 270.333 -1.469 20 0 CAADLO Cn1nnc(C[N@@H+]2CCC[C@@H]2CCCNC(=O)C(N)=O)n1 ZINC001266232435 780772255 /nfs/dbraw/zinc/77/22/55/780772255.db2.gz XSAYKFNHZWICSF-VIFPVBQESA-N 1 2 295.347 -1.444 20 0 CAADLO Cn1nnc(C[N@H+]2CCC[C@@H]2CCCNC(=O)C(N)=O)n1 ZINC001266232435 780772261 /nfs/dbraw/zinc/77/22/61/780772261.db2.gz XSAYKFNHZWICSF-VIFPVBQESA-N 1 2 295.347 -1.444 20 0 CAADLO CC[C@H](C(N)=O)[N@@H+]1CCC[C@](CO)(NC(=O)C(N)=O)C1 ZINC001279509884 780773118 /nfs/dbraw/zinc/77/31/18/780773118.db2.gz PQSNUJKHXCGSMG-PELKAZGASA-N 1 2 286.332 -2.321 20 0 CAADLO CC[C@H](C(N)=O)[N@H+]1CCC[C@](CO)(NC(=O)C(N)=O)C1 ZINC001279509884 780773121 /nfs/dbraw/zinc/77/31/21/780773121.db2.gz PQSNUJKHXCGSMG-PELKAZGASA-N 1 2 286.332 -2.321 20 0 CAADLO CC[C@H](C(N)=O)[N@@H+]1CCC[C@@](CO)(NC(=O)C(N)=O)C1 ZINC001279509885 780773272 /nfs/dbraw/zinc/77/32/72/780773272.db2.gz PQSNUJKHXCGSMG-PRHODGIISA-N 1 2 286.332 -2.321 20 0 CAADLO CC[C@H](C(N)=O)[N@H+]1CCC[C@@](CO)(NC(=O)C(N)=O)C1 ZINC001279509885 780773276 /nfs/dbraw/zinc/77/32/76/780773276.db2.gz PQSNUJKHXCGSMG-PRHODGIISA-N 1 2 286.332 -2.321 20 0 CAADLO CC[C@@H](C(N)=O)[N@@H+]1CCC[C@@](CO)(NC(=O)C(N)=O)C1 ZINC001279509886 780773824 /nfs/dbraw/zinc/77/38/24/780773824.db2.gz PQSNUJKHXCGSMG-QPUJVOFHSA-N 1 2 286.332 -2.321 20 0 CAADLO CC[C@@H](C(N)=O)[N@H+]1CCC[C@@](CO)(NC(=O)C(N)=O)C1 ZINC001279509886 780773829 /nfs/dbraw/zinc/77/38/29/780773829.db2.gz PQSNUJKHXCGSMG-QPUJVOFHSA-N 1 2 286.332 -2.321 20 0 CAADLO CC[C@@H](C(N)=O)[N@@H+]1CCC[C@](CO)(NC(=O)C(N)=O)C1 ZINC001279509887 780773849 /nfs/dbraw/zinc/77/38/49/780773849.db2.gz PQSNUJKHXCGSMG-UFBFGSQYSA-N 1 2 286.332 -2.321 20 0 CAADLO CC[C@@H](C(N)=O)[N@H+]1CCC[C@](CO)(NC(=O)C(N)=O)C1 ZINC001279509887 780773854 /nfs/dbraw/zinc/77/38/54/780773854.db2.gz PQSNUJKHXCGSMG-UFBFGSQYSA-N 1 2 286.332 -2.321 20 0 CAADLO CC(=O)NCC(=O)N(CCO)CC[NH2+]Cc1nc(C)no1 ZINC001279640808 780775388 /nfs/dbraw/zinc/77/53/88/780775388.db2.gz ZNPIKPMSYICEIO-UHFFFAOYSA-N 1 2 299.331 -1.575 20 0 CAADLO NC(=O)CC(=O)NC1CC(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001279972114 780778918 /nfs/dbraw/zinc/77/89/18/780778918.db2.gz CXZPOQYSUVIJSR-UHFFFAOYSA-N 1 2 293.327 -1.231 20 0 CAADLO C[C@H](NC(=O)CC(N)=O)[C@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001280227216 780779065 /nfs/dbraw/zinc/77/90/65/780779065.db2.gz QFDQGOINLDVWPW-YUMQZZPRSA-N 1 2 281.316 -1.163 20 0 CAADLO C[C@@H](NC(=O)CC(N)=O)[C@@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001280227211 780779430 /nfs/dbraw/zinc/77/94/30/780779430.db2.gz QFDQGOINLDVWPW-HTQZYQBOSA-N 1 2 281.316 -1.163 20 0 CAADLO C[C@H](CNC(=O)CC(N)=O)N(C)C(=O)Cc1c[nH+]cn1C ZINC001280444163 780781963 /nfs/dbraw/zinc/78/19/63/780781963.db2.gz FWWNSCYXEPJYTI-SECBINFHSA-N 1 2 295.343 -1.199 20 0 CAADLO C[C@H](CNC(=O)C(N)=O)N(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001280537224 780783028 /nfs/dbraw/zinc/78/30/28/780783028.db2.gz MTOFQPUUAZRMFU-SSDOTTSWSA-N 1 2 267.289 -1.599 20 0 CAADLO NC(=O)C(=O)N[C@H]1C[C@H](CNC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001280772564 780787055 /nfs/dbraw/zinc/78/70/55/780787055.db2.gz JLBMQFOHOAUDHM-KYZUINATSA-N 1 2 293.327 -1.161 20 0 CAADLO NC(=O)CC(=O)NC[C@H]1C[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001280777857 780787520 /nfs/dbraw/zinc/78/75/20/780787520.db2.gz KVBPSTJUJWOLNW-KYZUINATSA-N 1 2 293.327 -1.161 20 0 CAADLO CCOCC(=O)N[C@@H]1COC2(C[NH+](CCO)C2)C1 ZINC001280935614 780788771 /nfs/dbraw/zinc/78/87/71/780788771.db2.gz LUMUNRADUVJRFC-JTQLQIEISA-N 1 2 258.318 -1.025 20 0 CAADLO C[C@H](CCCNC(=O)Cc1c[nH]c[nH+]1)NC(=O)C(N)=O ZINC001280866974 780788781 /nfs/dbraw/zinc/78/87/81/780788781.db2.gz YGFROSKOCPINAO-MRVPVSSYSA-N 1 2 281.316 -1.161 20 0 CAADLO CCNC(=O)CC(=O)N[C@@H]1COC2(C[NH+](CCCO)C2)C1 ZINC001280948332 780789479 /nfs/dbraw/zinc/78/94/79/780789479.db2.gz RKIAFCYVBGSAGO-NSHDSACASA-N 1 2 299.371 -1.146 20 0 CAADLO Cn1c[nH+]cc1CC(=O)NC[C@@H](CO)NC(=O)C(N)=O ZINC001281097062 780793609 /nfs/dbraw/zinc/79/36/09/780793609.db2.gz DXYQJGCUZPKNAO-ZETCQYMHSA-N 1 2 283.288 -2.959 20 0 CAADLO NC(=O)CC(=O)N[C@H](CO)CNC(=O)Cn1cc[nH+]c1 ZINC001281094755 780793764 /nfs/dbraw/zinc/79/37/64/780793764.db2.gz VJWBAZJKPUBSSQ-QMMMGPOBSA-N 1 2 283.288 -2.648 20 0 CAADLO CN(C(=O)Cc1[nH]cc[nH+]1)C1CC(NC(=O)CC(N)=O)C1 ZINC001281354751 780802578 /nfs/dbraw/zinc/80/25/78/780802578.db2.gz QMRSDSQQIQTSBS-UHFFFAOYSA-N 1 2 293.327 -1.067 20 0 CAADLO CN(C[C@H]1CCN1C(=O)C(N)=O)C(=O)Cn1cc[nH+]c1 ZINC001282042800 780809329 /nfs/dbraw/zinc/80/93/29/780809329.db2.gz IRWBKSVVCZBHJA-SECBINFHSA-N 1 2 279.300 -1.572 20 0 CAADLO CN(C[C@@H]1CCN1C(=O)C(N)=O)C(=O)Cn1cc[nH+]c1 ZINC001282042802 780810067 /nfs/dbraw/zinc/81/00/67/780810067.db2.gz IRWBKSVVCZBHJA-VIFPVBQESA-N 1 2 279.300 -1.572 20 0 CAADLO NC(=O)C(=O)NC[C@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001282087071 780810519 /nfs/dbraw/zinc/81/05/19/780810519.db2.gz GTEDYKNJZUYWEO-DTORHVGOSA-N 1 2 279.300 -1.621 20 0 CAADLO C[C@@H]([NH2+]Cc1nnnn1C(C)(C)C)[C@H](C)NC(=O)C(N)=O ZINC001282181604 780812839 /nfs/dbraw/zinc/81/28/39/780812839.db2.gz BAIBACFIYQCMIF-SFYZADRCSA-N 1 2 297.363 -1.104 20 0 CAADLO CC[NH+]1CC(CCO)(NC(=O)c2nnn(C)n2)C1 ZINC001282529863 780821481 /nfs/dbraw/zinc/82/14/81/780821481.db2.gz FLVBBLVSDBYYMQ-UHFFFAOYSA-N 1 2 254.294 -1.603 20 0 CAADLO CO[C@@H](C)C[NH+]1CC(CCO)(NC(=O)C(N)=O)C1 ZINC001282530210 780821855 /nfs/dbraw/zinc/82/18/55/780821855.db2.gz QAAVXDCQHAVFTM-QMMMGPOBSA-N 1 2 259.306 -1.940 20 0 CAADLO O=C(NC1(CCO)C[NH+](CCO)C1)C1CC(=O)NC(=O)C1 ZINC001282538727 780822028 /nfs/dbraw/zinc/82/20/28/780822028.db2.gz CXWGKLOMOBLVOC-UHFFFAOYSA-N 1 2 299.327 -2.416 20 0 CAADLO CNC(=O)C1(C(=O)N[C@@H](C)C2C[NH+](CC(N)=O)C2)CCC1 ZINC001282736544 780823302 /nfs/dbraw/zinc/82/33/02/780823302.db2.gz DKCZBFWNZINXGW-VIFPVBQESA-N 1 2 296.371 -1.176 20 0 CAADLO C[C@@H](NC(=O)C(N)=O)C1C[NH+](CC(=O)NCC2CCC2)C1 ZINC001282734748 780823885 /nfs/dbraw/zinc/82/38/85/780823885.db2.gz HKIXEVGTOPJJRF-SECBINFHSA-N 1 2 296.371 -1.176 20 0 CAADLO CC(=O)NCC(=O)NCCNC(=O)CCn1cc[nH+]c1 ZINC001282890614 780827053 /nfs/dbraw/zinc/82/70/53/780827053.db2.gz JMYUSQYWZNDHHJ-UHFFFAOYSA-N 1 2 281.316 -1.358 20 0 CAADLO O=C(Cn1cc[nH+]c1)NCCNC(=O)c1ccc(=O)[nH]n1 ZINC001282899563 780828799 /nfs/dbraw/zinc/82/87/99/780828799.db2.gz VGWOZYKIFZPVJT-UHFFFAOYSA-N 1 2 290.283 -1.075 20 0 CAADLO O=C(CCc1nnc[nH]1)NCCNC(=O)Cn1cc[nH+]c1 ZINC001282963226 780836148 /nfs/dbraw/zinc/83/61/48/780836148.db2.gz KDGHJLZHVQXXHW-UHFFFAOYSA-N 1 2 291.315 -1.134 20 0 CAADLO Cn1nncc1C(=O)NCCNC(=O)Cc1c[nH]c[nH+]1 ZINC001282991425 780837218 /nfs/dbraw/zinc/83/72/18/780837218.db2.gz KDEAUBSJHSFWFU-UHFFFAOYSA-N 1 2 277.288 -1.373 20 0 CAADLO O=C(CO[C@@H]1CCOC1)NCCNC(=O)Cc1[nH]cc[nH+]1 ZINC001283016367 780839611 /nfs/dbraw/zinc/83/96/11/780839611.db2.gz VCKMFLKGPYKREU-SNVBAGLBSA-N 1 2 296.327 -1.010 20 0 CAADLO NC(=O)C(=O)NCCNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001283083841 780841167 /nfs/dbraw/zinc/84/11/67/780841167.db2.gz BWVISAVHUGBSOQ-QMMMGPOBSA-N 1 2 279.300 -1.837 20 0 CAADLO CN1C[C@@H](C(=O)NCCNC(=O)Cn2cc[nH+]c2)NC1=O ZINC001283093217 780841249 /nfs/dbraw/zinc/84/12/49/780841249.db2.gz HOKJIGVKRNBQLI-VIFPVBQESA-N 1 2 294.315 -1.861 20 0 CAADLO O=C(Cc1[nH]cc[nH+]1)NCCNC(=O)[C@H]1CCCNC1=O ZINC001283065604 780841277 /nfs/dbraw/zinc/84/12/77/780841277.db2.gz BADVBCZVZHFAOJ-VIFPVBQESA-N 1 2 293.327 -1.289 20 0 CAADLO O=C(Cc1c[nH]c[nH+]1)NCCNC(=O)C[C@@H]1CCNC1=O ZINC001283057669 780841703 /nfs/dbraw/zinc/84/17/03/780841703.db2.gz QGLPFYKSWLRSHY-VIFPVBQESA-N 1 2 293.327 -1.289 20 0 CAADLO CC(=O)N(C)CC(=O)NCCCNC(=O)Cn1cc[nH+]c1 ZINC001283186897 780845798 /nfs/dbraw/zinc/84/57/98/780845798.db2.gz SKPGAJWYZSGJRC-UHFFFAOYSA-N 1 2 295.343 -1.016 20 0 CAADLO C[C@H](CCC[NH2+]Cc1nnn(C)n1)NC(=O)C(N)=O ZINC001283228620 780847817 /nfs/dbraw/zinc/84/78/17/780847817.db2.gz GYAFIIBDZSQDPP-SSDOTTSWSA-N 1 2 269.309 -1.930 20 0 CAADLO CNC(=O)CC(=O)N[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001283350613 780849679 /nfs/dbraw/zinc/84/96/79/780849679.db2.gz YRGSRRHFFQDVAZ-SNVBAGLBSA-N 1 2 293.327 -1.264 20 0 CAADLO Cc1nnc([C@H](C)[N@H+](C)CCOCCNC(=O)C(N)=O)[nH]1 ZINC001283406514 780851197 /nfs/dbraw/zinc/85/11/97/780851197.db2.gz FOAWWTNHXSQIEH-QMMMGPOBSA-N 1 2 298.347 -1.276 20 0 CAADLO Cc1nnc([C@H](C)[N@@H+](C)CCOCCNC(=O)C(N)=O)[nH]1 ZINC001283406514 780851202 /nfs/dbraw/zinc/85/12/02/780851202.db2.gz FOAWWTNHXSQIEH-QMMMGPOBSA-N 1 2 298.347 -1.276 20 0 CAADLO CN(CCCNC(=O)Cc1[nH]cc[nH+]1)C(=O)CC(N)=O ZINC001283634357 780856026 /nfs/dbraw/zinc/85/60/26/780856026.db2.gz ZWNAZSJDUYBPGJ-UHFFFAOYSA-N 1 2 281.316 -1.208 20 0 CAADLO CN(CCCNC(=O)Cc1[nH]cc[nH+]1)C(=O)C(N)=O ZINC001283634427 780856374 /nfs/dbraw/zinc/85/63/74/780856374.db2.gz IJHGHXJANHGCSL-UHFFFAOYSA-N 1 2 267.289 -1.598 20 0 CAADLO Cn1[nH]c(C[NH2+][C@H](CO)CNC(=O)C2CC2)nc1=O ZINC001283722478 780857072 /nfs/dbraw/zinc/85/70/72/780857072.db2.gz HTSDYRIKHQCDRY-QMMMGPOBSA-N 1 2 269.305 -1.915 20 0 CAADLO Cc1nc(C[NH2+][C@H](CO)CNC(=O)CC(N)=O)co1 ZINC001283747653 780861199 /nfs/dbraw/zinc/86/11/99/780861199.db2.gz XPMUZEJKWCCEJT-QMMMGPOBSA-N 1 2 270.289 -1.575 20 0 CAADLO O=C(NCC[NH2+]Cc1nncs1)C1CC(=O)NC(=O)C1 ZINC001135272994 781355522 /nfs/dbraw/zinc/35/55/22/781355522.db2.gz GQOWBEQEFMYXTN-UHFFFAOYSA-N 1 2 297.340 -1.203 20 0 CAADLO O=C(NCC[NH2+]Cc1cnsn1)C1CC(=O)NC(=O)C1 ZINC001135270241 781358383 /nfs/dbraw/zinc/35/83/83/781358383.db2.gz VPHDJYBGMZPAFI-UHFFFAOYSA-N 1 2 297.340 -1.203 20 0 CAADLO COCc1noc(C[NH2+]CCNC(=O)c2cnn(C)n2)n1 ZINC001135283385 781358602 /nfs/dbraw/zinc/35/86/02/781358602.db2.gz XEDJDUZUZDFOLT-UHFFFAOYSA-N 1 2 295.303 -1.136 20 0 CAADLO Cn1ncc(C(=O)NCC[NH2+]Cc2nc(=O)n(C)[nH]2)n1 ZINC001135283218 781358626 /nfs/dbraw/zinc/35/86/26/781358626.db2.gz OTKSUMYIQKUZNG-UHFFFAOYSA-N 1 2 280.292 -2.244 20 0 CAADLO O=C(Cn1[nH]cc2c(=O)ncnc1-2)NCC[NH2+]CCCO ZINC001135465296 781367874 /nfs/dbraw/zinc/36/78/74/781367874.db2.gz CTGOGSIKWKVRDA-UHFFFAOYSA-N 1 2 294.315 -1.841 20 0 CAADLO COCC[NH2+]CCNC(=O)Cn1[nH]cc2c(=O)ncnc1-2 ZINC001135465858 781368034 /nfs/dbraw/zinc/36/80/34/781368034.db2.gz RWGMJEWMAALSCL-UHFFFAOYSA-N 1 2 294.315 -1.577 20 0 CAADLO CC[NH2+]CCNC(=O)Cn1[nH]cc2c(=O)ncnc1-2 ZINC001135465632 781368992 /nfs/dbraw/zinc/36/89/92/781368992.db2.gz NCOYBFRNCQOAFW-UHFFFAOYSA-N 1 2 264.289 -1.203 20 0 CAADLO Cc1nnc(C[NH2+]CCNC(=O)CN2CC(=O)NC2=O)o1 ZINC001135440757 781369193 /nfs/dbraw/zinc/36/91/93/781369193.db2.gz POOOBMXKJQRLRK-UHFFFAOYSA-N 1 2 296.287 -1.864 20 0 CAADLO Cc1noc(C[NH2+]CCNC(=O)CN2CC(=O)NC2=O)n1 ZINC001135440049 781369470 /nfs/dbraw/zinc/36/94/70/781369470.db2.gz CKTZDQNSQYKRCS-UHFFFAOYSA-N 1 2 296.287 -1.864 20 0 CAADLO Cn1cc(C[NH2+]CCNC(=O)c2nnc[nH]2)nn1 ZINC001135520861 781370429 /nfs/dbraw/zinc/37/04/29/781370429.db2.gz PSSXWFLFSTUHEK-UHFFFAOYSA-N 1 2 250.266 -1.547 20 0 CAADLO CCn1ncnc1C[NH2+]CCNC(=O)c1nnc[nH]1 ZINC001135520848 781370555 /nfs/dbraw/zinc/37/05/55/781370555.db2.gz PMFJKGIHXVZVJU-UHFFFAOYSA-N 1 2 264.293 -1.064 20 0 CAADLO CCn1ncc(C[NH2+]CCNC(=O)c2nnc[nH]2)n1 ZINC001135520216 781371714 /nfs/dbraw/zinc/37/17/14/781371714.db2.gz IRKQLJIABPLOLX-UHFFFAOYSA-N 1 2 264.293 -1.064 20 0 CAADLO Cn1nncc1C[NH2+]CCNC(=O)c1nc[nH]n1 ZINC001135521148 781372265 /nfs/dbraw/zinc/37/22/65/781372265.db2.gz UOTWVKTWVZBNPT-UHFFFAOYSA-N 1 2 250.266 -1.547 20 0 CAADLO O=C(C[NH2+]CCNC(=O)c1ncn[nH]1)Nc1ccon1 ZINC001135529339 781373950 /nfs/dbraw/zinc/37/39/50/781373950.db2.gz OSAHTKVGVIJWIU-UHFFFAOYSA-N 1 2 279.260 -1.249 20 0 CAADLO O=C(C[NH2+]CCNC(=O)c1nc[nH]n1)Nc1ccon1 ZINC001135529339 781373955 /nfs/dbraw/zinc/37/39/55/781373955.db2.gz OSAHTKVGVIJWIU-UHFFFAOYSA-N 1 2 279.260 -1.249 20 0 CAADLO Cn1[nH]c(C[NH2+]CCNC(=O)c2ncccn2)nc1=O ZINC001135602153 781377942 /nfs/dbraw/zinc/37/79/42/781377942.db2.gz BQPRIEAKTMXECR-UHFFFAOYSA-N 1 2 277.288 -1.582 20 0 CAADLO CCc1nnc(C[NH2+]CCNC(=O)CCn2cnnn2)o1 ZINC001135677356 781379202 /nfs/dbraw/zinc/37/92/02/781379202.db2.gz DSAHNBUHAWPUQO-UHFFFAOYSA-N 1 2 294.319 -1.085 20 0 CAADLO Cn1[nH]c(C[NH2+]CCNC(=O)c2cccnn2)nc1=O ZINC001135641264 781379805 /nfs/dbraw/zinc/37/98/05/781379805.db2.gz QPKSCHQXUHMCKF-UHFFFAOYSA-N 1 2 277.288 -1.582 20 0 CAADLO Cn1[nH]c(C[NH2+]CCNC(=O)Cc2ncc[nH]2)nc1=O ZINC001135759694 781384615 /nfs/dbraw/zinc/38/46/15/781384615.db2.gz BJLUTIJJLVLOEB-UHFFFAOYSA-N 1 2 279.304 -1.720 20 0 CAADLO C[C@@H]1OCC[C@@H]1C(=O)NCC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001135782107 781386168 /nfs/dbraw/zinc/38/61/68/781386168.db2.gz XLZGHFAPNWEMII-IUCAKERBSA-N 1 2 283.332 -1.261 20 0 CAADLO Cn1ncc(C[NH2+]CCNC(=O)C(=O)NCC2CC2)n1 ZINC001135905622 781387102 /nfs/dbraw/zinc/38/71/02/781387102.db2.gz DPMHWVIJOSOLRM-UHFFFAOYSA-N 1 2 280.332 -1.453 20 0 CAADLO Cn1[nH]c(C[NH2+]CCNC(=O)C(=O)NCC2CC2)nc1=O ZINC001135906213 781387816 /nfs/dbraw/zinc/38/78/16/781387816.db2.gz VPTBZQRMCWGXNT-UHFFFAOYSA-N 1 2 296.331 -2.160 20 0 CAADLO Cn1ncnc1C[NH2+]CCNC(=O)C(=O)NCC1CC1 ZINC001135905587 781388048 /nfs/dbraw/zinc/38/80/48/781388048.db2.gz BLKZIRJKGWNQTJ-UHFFFAOYSA-N 1 2 280.332 -1.453 20 0 CAADLO C[C@H]([NH2+]CCNC(=O)C(=O)NCC1CC1)c1nnnn1C ZINC001135906689 781388183 /nfs/dbraw/zinc/38/81/83/781388183.db2.gz DKHUGMKBDRXOQB-QMMMGPOBSA-N 1 2 295.347 -1.497 20 0 CAADLO Cn1cc(C[NH2+]CCNC(=O)C(=O)NCC2CC2)nn1 ZINC001135907626 781389594 /nfs/dbraw/zinc/38/95/94/781389594.db2.gz XVOPMJTVHJWWLZ-UHFFFAOYSA-N 1 2 280.332 -1.453 20 0 CAADLO C[C@H](Cn1cc[nH+]c1)NC(=O)[C@H](CO)NC(N)=O ZINC001136226664 781396665 /nfs/dbraw/zinc/39/66/65/781396665.db2.gz HUCIRIJVOOWTQW-SFYZADRCSA-N 1 2 255.278 -1.583 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C(N)=O)[C@@H](O)C1 ZINC001090531263 781397464 /nfs/dbraw/zinc/39/74/64/781397464.db2.gz JUAJJSXNGIJZLH-RQJHMYQMSA-N 1 2 258.278 -3.231 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)C(N)=O)[C@@H](O)C1 ZINC001090531263 781397475 /nfs/dbraw/zinc/39/74/75/781397475.db2.gz JUAJJSXNGIJZLH-RQJHMYQMSA-N 1 2 258.278 -3.231 20 0 CAADLO Cc1nc(C[N@@H+]2CC[C@@H](NC(=O)C(N)=O)[C@@H](O)C2)oc1C ZINC001090531018 781398626 /nfs/dbraw/zinc/39/86/26/781398626.db2.gz HPNOGRBZTNNASI-ZJUUUORDSA-N 1 2 296.327 -1.172 20 0 CAADLO Cc1nc(C[N@H+]2CC[C@@H](NC(=O)C(N)=O)[C@@H](O)C2)oc1C ZINC001090531018 781398634 /nfs/dbraw/zinc/39/86/34/781398634.db2.gz HPNOGRBZTNNASI-ZJUUUORDSA-N 1 2 296.327 -1.172 20 0 CAADLO NC(=O)C(=O)N[C@@H]1CC[N@H+](Cc2cncc(F)c2)C[C@H]1O ZINC001090531007 781399272 /nfs/dbraw/zinc/39/92/72/781399272.db2.gz HMANGFRXCJZXNH-GHMZBOCLSA-N 1 2 296.302 -1.243 20 0 CAADLO NC(=O)C(=O)N[C@@H]1CC[N@@H+](Cc2cncc(F)c2)C[C@H]1O ZINC001090531007 781399276 /nfs/dbraw/zinc/39/92/76/781399276.db2.gz HMANGFRXCJZXNH-GHMZBOCLSA-N 1 2 296.302 -1.243 20 0 CAADLO Cc1csc(C[N@@H+]2CC[C@H](NC(=O)C(N)=O)[C@@H](O)C2)n1 ZINC001090532030 781400077 /nfs/dbraw/zinc/40/00/77/781400077.db2.gz PWVQRZBIGUWTPX-IUCAKERBSA-N 1 2 298.368 -1.012 20 0 CAADLO Cc1csc(C[N@H+]2CC[C@H](NC(=O)C(N)=O)[C@@H](O)C2)n1 ZINC001090532030 781400087 /nfs/dbraw/zinc/40/00/87/781400087.db2.gz PWVQRZBIGUWTPX-IUCAKERBSA-N 1 2 298.368 -1.012 20 0 CAADLO CCn1nncc1C[N@@H+]1CC[C@@H](NC(=O)C(N)=O)[C@H](O)C1 ZINC001090532495 781400371 /nfs/dbraw/zinc/40/03/71/781400371.db2.gz BVWGQIIXLKZGNO-NXEZZACHSA-N 1 2 296.331 -2.165 20 0 CAADLO CCn1nncc1C[N@H+]1CC[C@@H](NC(=O)C(N)=O)[C@H](O)C1 ZINC001090532495 781400379 /nfs/dbraw/zinc/40/03/79/781400379.db2.gz BVWGQIIXLKZGNO-NXEZZACHSA-N 1 2 296.331 -2.165 20 0 CAADLO COc1cc(C[N@@H+]2CC[C@H](NC(=O)C(N)=O)[C@@H](O)C2)on1 ZINC001090532699 781400392 /nfs/dbraw/zinc/40/03/92/781400392.db2.gz DNLLQWCMQNBIHF-IUCAKERBSA-N 1 2 298.299 -1.780 20 0 CAADLO COc1cc(C[N@H+]2CC[C@H](NC(=O)C(N)=O)[C@@H](O)C2)on1 ZINC001090532699 781400399 /nfs/dbraw/zinc/40/03/99/781400399.db2.gz DNLLQWCMQNBIHF-IUCAKERBSA-N 1 2 298.299 -1.780 20 0 CAADLO CCn1nncc1C[N@@H+]1CC[C@H](NC(=O)C(N)=O)[C@@H](O)C1 ZINC001090532496 781400421 /nfs/dbraw/zinc/40/04/21/781400421.db2.gz BVWGQIIXLKZGNO-UWVGGRQHSA-N 1 2 296.331 -2.165 20 0 CAADLO CCn1nncc1C[N@H+]1CC[C@H](NC(=O)C(N)=O)[C@@H](O)C1 ZINC001090532496 781400424 /nfs/dbraw/zinc/40/04/24/781400424.db2.gz BVWGQIIXLKZGNO-UWVGGRQHSA-N 1 2 296.331 -2.165 20 0 CAADLO CCn1nncc1C[N@@H+]1CC[C@H](NC(=O)C(N)=O)[C@H](O)C1 ZINC001090532498 781400554 /nfs/dbraw/zinc/40/05/54/781400554.db2.gz BVWGQIIXLKZGNO-VHSXEESVSA-N 1 2 296.331 -2.165 20 0 CAADLO CCn1nncc1C[N@H+]1CC[C@H](NC(=O)C(N)=O)[C@H](O)C1 ZINC001090532498 781400557 /nfs/dbraw/zinc/40/05/57/781400557.db2.gz BVWGQIIXLKZGNO-VHSXEESVSA-N 1 2 296.331 -2.165 20 0 CAADLO COc1cc(C[N@@H+]2CC[C@@H](NC(=O)C(N)=O)[C@H](O)C2)on1 ZINC001090532700 781401066 /nfs/dbraw/zinc/40/10/66/781401066.db2.gz DNLLQWCMQNBIHF-RKDXNWHRSA-N 1 2 298.299 -1.780 20 0 CAADLO COc1cc(C[N@H+]2CC[C@@H](NC(=O)C(N)=O)[C@H](O)C2)on1 ZINC001090532700 781401069 /nfs/dbraw/zinc/40/10/69/781401069.db2.gz DNLLQWCMQNBIHF-RKDXNWHRSA-N 1 2 298.299 -1.780 20 0 CAADLO COc1cc(C[N@@H+]2CC[C@@H](NC(=O)C(N)=O)[C@@H](O)C2)on1 ZINC001090532696 781401126 /nfs/dbraw/zinc/40/11/26/781401126.db2.gz DNLLQWCMQNBIHF-BDAKNGLRSA-N 1 2 298.299 -1.780 20 0 CAADLO COc1cc(C[N@H+]2CC[C@@H](NC(=O)C(N)=O)[C@@H](O)C2)on1 ZINC001090532696 781401131 /nfs/dbraw/zinc/40/11/31/781401131.db2.gz DNLLQWCMQNBIHF-BDAKNGLRSA-N 1 2 298.299 -1.780 20 0 CAADLO Cn1nncc1C[N@@H+]1CC[C@@H](NC(=O)C(N)=O)[C@H](O)C1 ZINC001090533300 781401923 /nfs/dbraw/zinc/40/19/23/781401923.db2.gz YUAXFKWKHYQJBK-RKDXNWHRSA-N 1 2 282.304 -2.648 20 0 CAADLO Cn1nncc1C[N@H+]1CC[C@@H](NC(=O)C(N)=O)[C@H](O)C1 ZINC001090533300 781401930 /nfs/dbraw/zinc/40/19/30/781401930.db2.gz YUAXFKWKHYQJBK-RKDXNWHRSA-N 1 2 282.304 -2.648 20 0 CAADLO Cc1ncc(C[N@@H+]2CC[C@H](NC(=O)C(N)=O)[C@H](O)C2)cn1 ZINC001090533007 781402082 /nfs/dbraw/zinc/40/20/82/781402082.db2.gz HGGJVFWMPAOYCT-WDEREUQCSA-N 1 2 293.327 -1.678 20 0 CAADLO Cc1ncc(C[N@H+]2CC[C@H](NC(=O)C(N)=O)[C@H](O)C2)cn1 ZINC001090533007 781402087 /nfs/dbraw/zinc/40/20/87/781402087.db2.gz HGGJVFWMPAOYCT-WDEREUQCSA-N 1 2 293.327 -1.678 20 0 CAADLO Cc1ncc(C[N@@H+]2CC[C@@H](NC(=O)C(N)=O)[C@H](O)C2)cn1 ZINC001090533003 781402103 /nfs/dbraw/zinc/40/21/03/781402103.db2.gz HGGJVFWMPAOYCT-GHMZBOCLSA-N 1 2 293.327 -1.678 20 0 CAADLO Cc1ncc(C[N@H+]2CC[C@@H](NC(=O)C(N)=O)[C@H](O)C2)cn1 ZINC001090533003 781402107 /nfs/dbraw/zinc/40/21/07/781402107.db2.gz HGGJVFWMPAOYCT-GHMZBOCLSA-N 1 2 293.327 -1.678 20 0 CAADLO Cc1cnc(C[N@@H+]2CC[C@@H](NC(=O)C(N)=O)[C@H](O)C2)s1 ZINC001090533990 781403596 /nfs/dbraw/zinc/40/35/96/781403596.db2.gz LLDCCYGPAPEHIW-RKDXNWHRSA-N 1 2 298.368 -1.012 20 0 CAADLO Cc1cnc(C[N@H+]2CC[C@@H](NC(=O)C(N)=O)[C@H](O)C2)s1 ZINC001090533990 781403599 /nfs/dbraw/zinc/40/35/99/781403599.db2.gz LLDCCYGPAPEHIW-RKDXNWHRSA-N 1 2 298.368 -1.012 20 0 CAADLO Cc1cc(C[N@@H+]2CC[C@@H](NC(=O)C(N)=O)[C@H](O)C2)nn1C ZINC001090534067 781403750 /nfs/dbraw/zinc/40/37/50/781403750.db2.gz LTTSUBRBQLZDLY-GHMZBOCLSA-N 1 2 295.343 -1.735 20 0 CAADLO Cc1cc(C[N@H+]2CC[C@@H](NC(=O)C(N)=O)[C@H](O)C2)nn1C ZINC001090534067 781403759 /nfs/dbraw/zinc/40/37/59/781403759.db2.gz LTTSUBRBQLZDLY-GHMZBOCLSA-N 1 2 295.343 -1.735 20 0 CAADLO Cc1cnc(C[N@@H+]2CC[C@@H](NC(=O)C(N)=O)[C@@H](O)C2)cn1 ZINC001090536093 781403861 /nfs/dbraw/zinc/40/38/61/781403861.db2.gz ADLJEKODKNYBCM-MNOVXSKESA-N 1 2 293.327 -1.678 20 0 CAADLO Cc1cnc(C[N@H+]2CC[C@@H](NC(=O)C(N)=O)[C@@H](O)C2)cn1 ZINC001090536093 781403864 /nfs/dbraw/zinc/40/38/64/781403864.db2.gz ADLJEKODKNYBCM-MNOVXSKESA-N 1 2 293.327 -1.678 20 0 CAADLO Cc1cnc(C[N@@H+]2CC[C@@H](NC(=O)C(N)=O)[C@@H](O)C2)s1 ZINC001090533983 781404363 /nfs/dbraw/zinc/40/43/63/781404363.db2.gz LLDCCYGPAPEHIW-BDAKNGLRSA-N 1 2 298.368 -1.012 20 0 CAADLO Cc1cnc(C[N@H+]2CC[C@@H](NC(=O)C(N)=O)[C@@H](O)C2)s1 ZINC001090533983 781404368 /nfs/dbraw/zinc/40/43/68/781404368.db2.gz LLDCCYGPAPEHIW-BDAKNGLRSA-N 1 2 298.368 -1.012 20 0 CAADLO CCn1ccc(C[N@@H+]2CC[C@@H](NC(=O)C(N)=O)[C@H](O)C2)n1 ZINC001090534597 781404644 /nfs/dbraw/zinc/40/46/44/781404644.db2.gz PSSMFTABTBHFOX-GHMZBOCLSA-N 1 2 295.343 -1.560 20 0 CAADLO CCn1ccc(C[N@H+]2CC[C@@H](NC(=O)C(N)=O)[C@H](O)C2)n1 ZINC001090534597 781404646 /nfs/dbraw/zinc/40/46/46/781404646.db2.gz PSSMFTABTBHFOX-GHMZBOCLSA-N 1 2 295.343 -1.560 20 0 CAADLO Cc1cnc(C[N@@H+]2CC[C@H](NC(=O)C(N)=O)[C@H](O)C2)s1 ZINC001090533987 781404744 /nfs/dbraw/zinc/40/47/44/781404744.db2.gz LLDCCYGPAPEHIW-DTWKUNHWSA-N 1 2 298.368 -1.012 20 0 CAADLO Cc1cnc(C[N@H+]2CC[C@H](NC(=O)C(N)=O)[C@H](O)C2)s1 ZINC001090533987 781404747 /nfs/dbraw/zinc/40/47/47/781404747.db2.gz LLDCCYGPAPEHIW-DTWKUNHWSA-N 1 2 298.368 -1.012 20 0 CAADLO Cc1conc1C[N@@H+]1CC[C@@H](NC(=O)C(N)=O)[C@@H](O)C1 ZINC001090535676 781405398 /nfs/dbraw/zinc/40/53/98/781405398.db2.gz VEILSLZJKJKYOH-SCZZXKLOSA-N 1 2 282.300 -1.480 20 0 CAADLO Cc1conc1C[N@H+]1CC[C@@H](NC(=O)C(N)=O)[C@@H](O)C1 ZINC001090535676 781405406 /nfs/dbraw/zinc/40/54/06/781405406.db2.gz VEILSLZJKJKYOH-SCZZXKLOSA-N 1 2 282.300 -1.480 20 0 CAADLO Cc1conc1C[N@@H+]1CC[C@H](NC(=O)C(N)=O)[C@@H](O)C1 ZINC001090535678 781405550 /nfs/dbraw/zinc/40/55/50/781405550.db2.gz VEILSLZJKJKYOH-WPRPVWTQSA-N 1 2 282.300 -1.480 20 0 CAADLO Cc1conc1C[N@H+]1CC[C@H](NC(=O)C(N)=O)[C@@H](O)C1 ZINC001090535678 781405555 /nfs/dbraw/zinc/40/55/55/781405555.db2.gz VEILSLZJKJKYOH-WPRPVWTQSA-N 1 2 282.300 -1.480 20 0 CAADLO NC(=O)C(=O)N[C@@H]1CC[N@H+](Cc2ccns2)C[C@H]1O ZINC001090535694 781405818 /nfs/dbraw/zinc/40/58/18/781405818.db2.gz VHAPXCJDKQZMMD-RKDXNWHRSA-N 1 2 284.341 -1.320 20 0 CAADLO NC(=O)C(=O)N[C@@H]1CC[N@@H+](Cc2ccns2)C[C@H]1O ZINC001090535694 781405822 /nfs/dbraw/zinc/40/58/22/781405822.db2.gz VHAPXCJDKQZMMD-RKDXNWHRSA-N 1 2 284.341 -1.320 20 0 CAADLO Cc1nnsc1C[N@@H+]1CC[C@H](NC(=O)C(N)=O)[C@@H](O)C1 ZINC001090535204 781405846 /nfs/dbraw/zinc/40/58/46/781405846.db2.gz SJHHPSHWUUXGBO-YUMQZZPRSA-N 1 2 299.356 -1.617 20 0 CAADLO Cc1nnsc1C[N@H+]1CC[C@H](NC(=O)C(N)=O)[C@@H](O)C1 ZINC001090535204 781405850 /nfs/dbraw/zinc/40/58/50/781405850.db2.gz SJHHPSHWUUXGBO-YUMQZZPRSA-N 1 2 299.356 -1.617 20 0 CAADLO Cc1nnsc1C[N@@H+]1CC[C@@H](NC(=O)C(N)=O)[C@@H](O)C1 ZINC001090535203 781405908 /nfs/dbraw/zinc/40/59/08/781405908.db2.gz SJHHPSHWUUXGBO-SFYZADRCSA-N 1 2 299.356 -1.617 20 0 CAADLO Cc1nnsc1C[N@H+]1CC[C@@H](NC(=O)C(N)=O)[C@@H](O)C1 ZINC001090535203 781405912 /nfs/dbraw/zinc/40/59/12/781405912.db2.gz SJHHPSHWUUXGBO-SFYZADRCSA-N 1 2 299.356 -1.617 20 0 CAADLO Cc1nc(C[N@@H+]2CC[C@H](NC(=O)C(N)=O)[C@H](O)C2)c(C)o1 ZINC001090534989 781405986 /nfs/dbraw/zinc/40/59/86/781405986.db2.gz RMBLDISLZPZHQA-GXSJLCMTSA-N 1 2 296.327 -1.172 20 0 CAADLO Cc1nc(C[N@H+]2CC[C@H](NC(=O)C(N)=O)[C@H](O)C2)c(C)o1 ZINC001090534989 781405992 /nfs/dbraw/zinc/40/59/92/781405992.db2.gz RMBLDISLZPZHQA-GXSJLCMTSA-N 1 2 296.327 -1.172 20 0 CAADLO NC(=O)C(=O)N[C@H]1CC[N@H+](Cc2ccns2)C[C@@H]1O ZINC001090535693 781406009 /nfs/dbraw/zinc/40/60/09/781406009.db2.gz VHAPXCJDKQZMMD-IUCAKERBSA-N 1 2 284.341 -1.320 20 0 CAADLO NC(=O)C(=O)N[C@H]1CC[N@@H+](Cc2ccns2)C[C@@H]1O ZINC001090535693 781406015 /nfs/dbraw/zinc/40/60/15/781406015.db2.gz VHAPXCJDKQZMMD-IUCAKERBSA-N 1 2 284.341 -1.320 20 0 CAADLO Cc1nnsc1C[N@@H+]1CC[C@H](NC(=O)C(N)=O)[C@H](O)C1 ZINC001090535202 781406055 /nfs/dbraw/zinc/40/60/55/781406055.db2.gz SJHHPSHWUUXGBO-JGVFFNPUSA-N 1 2 299.356 -1.617 20 0 CAADLO Cc1nnsc1C[N@H+]1CC[C@H](NC(=O)C(N)=O)[C@H](O)C1 ZINC001090535202 781406057 /nfs/dbraw/zinc/40/60/57/781406057.db2.gz SJHHPSHWUUXGBO-JGVFFNPUSA-N 1 2 299.356 -1.617 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2n[nH]cc2F)[C@H](O)C1 ZINC001090553820 781409131 /nfs/dbraw/zinc/40/91/31/781409131.db2.gz RWDCEYAYPWODEF-HTQZYQBOSA-N 1 2 285.279 -1.801 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)c2n[nH]cc2F)[C@H](O)C1 ZINC001090553820 781409132 /nfs/dbraw/zinc/40/91/32/781409132.db2.gz RWDCEYAYPWODEF-HTQZYQBOSA-N 1 2 285.279 -1.801 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2n[nH]cc2F)[C@@H](O)C1 ZINC001090553005 781409141 /nfs/dbraw/zinc/40/91/41/781409141.db2.gz ISAPBDPAPRGTQR-BDAKNGLRSA-N 1 2 299.306 -1.540 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2n[nH]cc2F)[C@@H](O)C1 ZINC001090553005 781409144 /nfs/dbraw/zinc/40/91/44/781409144.db2.gz ISAPBDPAPRGTQR-BDAKNGLRSA-N 1 2 299.306 -1.540 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)CC2=CCOCC2)[C@H](O)C1 ZINC001090545284 781410054 /nfs/dbraw/zinc/41/00/54/781410054.db2.gz ZYPKNMKTRKBDLW-NWDGAFQWSA-N 1 2 297.355 -1.240 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)CC2=CCOCC2)[C@H](O)C1 ZINC001090545284 781410060 /nfs/dbraw/zinc/41/00/60/781410060.db2.gz ZYPKNMKTRKBDLW-NWDGAFQWSA-N 1 2 297.355 -1.240 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ccnnc2)[C@@H](O)C1 ZINC001090590202 781411379 /nfs/dbraw/zinc/41/13/79/781411379.db2.gz RHFVZHOOKYWAPN-MNOVXSKESA-N 1 2 293.327 -1.612 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2ccnnc2)[C@@H](O)C1 ZINC001090590202 781411386 /nfs/dbraw/zinc/41/13/86/781411386.db2.gz RHFVZHOOKYWAPN-MNOVXSKESA-N 1 2 293.327 -1.612 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2ccnnc2)[C@H](O)C1 ZINC001090590204 781411667 /nfs/dbraw/zinc/41/16/67/781411667.db2.gz RHFVZHOOKYWAPN-WDEREUQCSA-N 1 2 293.327 -1.612 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)c2ccnnc2)[C@H](O)C1 ZINC001090590204 781411671 /nfs/dbraw/zinc/41/16/71/781411671.db2.gz RHFVZHOOKYWAPN-WDEREUQCSA-N 1 2 293.327 -1.612 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)Cc2c[nH]cn2)[C@@H](O)C1 ZINC001090594951 781411947 /nfs/dbraw/zinc/41/19/47/781411947.db2.gz MKUSSGKNFRJXMT-QWRGUYRKSA-N 1 2 295.343 -1.750 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)Cc2c[nH]cn2)[C@@H](O)C1 ZINC001090594951 781411949 /nfs/dbraw/zinc/41/19/49/781411949.db2.gz MKUSSGKNFRJXMT-QWRGUYRKSA-N 1 2 295.343 -1.750 20 0 CAADLO Cc1nc(C)c(C(=O)N[C@H]2CC[N@H+](CC(N)=O)C[C@@H]2O)[nH]1 ZINC001090578016 781412058 /nfs/dbraw/zinc/41/20/58/781412058.db2.gz VDOBNWFVXOXQHY-UWVGGRQHSA-N 1 2 295.343 -1.323 20 0 CAADLO Cc1nc(C)c(C(=O)N[C@H]2CC[N@@H+](CC(N)=O)C[C@@H]2O)[nH]1 ZINC001090578016 781412063 /nfs/dbraw/zinc/41/20/63/781412063.db2.gz VDOBNWFVXOXQHY-UWVGGRQHSA-N 1 2 295.343 -1.323 20 0 CAADLO Cc1ccnn1CC(=O)N[C@H]1CC[N@H+](CC(N)=O)C[C@H]1O ZINC001090612428 781413176 /nfs/dbraw/zinc/41/31/76/781413176.db2.gz MYYHQLGQKNQQSR-WDEREUQCSA-N 1 2 295.343 -1.772 20 0 CAADLO Cc1ccnn1CC(=O)N[C@H]1CC[N@@H+](CC(N)=O)C[C@H]1O ZINC001090612428 781413183 /nfs/dbraw/zinc/41/31/83/781413183.db2.gz MYYHQLGQKNQQSR-WDEREUQCSA-N 1 2 295.343 -1.772 20 0 CAADLO Cc1ccnn1CC(=O)N[C@@H]1CC[N@H+](CC(N)=O)C[C@@H]1O ZINC001090612426 781413330 /nfs/dbraw/zinc/41/33/30/781413330.db2.gz MYYHQLGQKNQQSR-MNOVXSKESA-N 1 2 295.343 -1.772 20 0 CAADLO Cc1ccnn1CC(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C[C@@H]1O ZINC001090612426 781413333 /nfs/dbraw/zinc/41/33/33/781413333.db2.gz MYYHQLGQKNQQSR-MNOVXSKESA-N 1 2 295.343 -1.772 20 0 CAADLO CCc1oncc1C(=O)N[C@H]1CC[N@H+](CC(N)=O)C[C@@H]1O ZINC001090617250 781413538 /nfs/dbraw/zinc/41/35/38/781413538.db2.gz TTXSYDKHQQYWNJ-UWVGGRQHSA-N 1 2 296.327 -1.113 20 0 CAADLO CCc1oncc1C(=O)N[C@H]1CC[N@@H+](CC(N)=O)C[C@@H]1O ZINC001090617250 781413540 /nfs/dbraw/zinc/41/35/40/781413540.db2.gz TTXSYDKHQQYWNJ-UWVGGRQHSA-N 1 2 296.327 -1.113 20 0 CAADLO Cc1c[nH]c(C(=O)N[C@H]2CC[N@H+](CC(N)=O)C[C@@H]2O)n1 ZINC001090632134 781414503 /nfs/dbraw/zinc/41/45/03/781414503.db2.gz CZVXQKHRPXYEIM-IUCAKERBSA-N 1 2 281.316 -1.632 20 0 CAADLO Cc1c[nH]c(C(=O)N[C@H]2CC[N@@H+](CC(N)=O)C[C@@H]2O)n1 ZINC001090632134 781414508 /nfs/dbraw/zinc/41/45/08/781414508.db2.gz CZVXQKHRPXYEIM-IUCAKERBSA-N 1 2 281.316 -1.632 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)Cc2cscn2)[C@H](O)C1 ZINC001090628240 781414873 /nfs/dbraw/zinc/41/48/73/781414873.db2.gz NDGREGBKBDYYTM-VHSXEESVSA-N 1 2 298.368 -1.278 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)Cc2cscn2)[C@H](O)C1 ZINC001090628240 781414878 /nfs/dbraw/zinc/41/48/78/781414878.db2.gz NDGREGBKBDYYTM-VHSXEESVSA-N 1 2 298.368 -1.278 20 0 CAADLO Cc1c[nH]c(C(=O)N[C@@H]2CC[N@H+](CC(N)=O)C[C@H]2O)n1 ZINC001090632135 781414894 /nfs/dbraw/zinc/41/48/94/781414894.db2.gz CZVXQKHRPXYEIM-RKDXNWHRSA-N 1 2 281.316 -1.632 20 0 CAADLO Cc1c[nH]c(C(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C[C@H]2O)n1 ZINC001090632135 781414895 /nfs/dbraw/zinc/41/48/95/781414895.db2.gz CZVXQKHRPXYEIM-RKDXNWHRSA-N 1 2 281.316 -1.632 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2nc(C)c[nH]2)[C@@H](O)C1 ZINC001090629783 781414939 /nfs/dbraw/zinc/41/49/39/781414939.db2.gz JEGCFDFLFVWCTA-UWVGGRQHSA-N 1 2 295.343 -1.371 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)c2nc(C)c[nH]2)[C@@H](O)C1 ZINC001090629783 781414940 /nfs/dbraw/zinc/41/49/40/781414940.db2.gz JEGCFDFLFVWCTA-UWVGGRQHSA-N 1 2 295.343 -1.371 20 0 CAADLO Cn1ncc(C(=O)N[C@@H]2CC[N@H+](CC(N)=O)C[C@@H]2O)n1 ZINC001090643195 781415336 /nfs/dbraw/zinc/41/53/36/781415336.db2.gz FDLMUOSAMQERPH-APPZFPTMSA-N 1 2 282.304 -2.535 20 0 CAADLO Cn1ncc(C(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C[C@@H]2O)n1 ZINC001090643195 781415343 /nfs/dbraw/zinc/41/53/43/781415343.db2.gz FDLMUOSAMQERPH-APPZFPTMSA-N 1 2 282.304 -2.535 20 0 CAADLO Cc1n[nH]c(C)c1C(=O)N[C@H]1CC[N@H+](CC(N)=O)C[C@H]1O ZINC001090647357 781416380 /nfs/dbraw/zinc/41/63/80/781416380.db2.gz OPPMLRAUVOSTPD-VHSXEESVSA-N 1 2 295.343 -1.323 20 0 CAADLO Cc1n[nH]c(C)c1C(=O)N[C@H]1CC[N@@H+](CC(N)=O)C[C@H]1O ZINC001090647357 781416384 /nfs/dbraw/zinc/41/63/84/781416384.db2.gz OPPMLRAUVOSTPD-VHSXEESVSA-N 1 2 295.343 -1.323 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cnn(C)n2)[C@H](O)C1 ZINC001090644578 781416922 /nfs/dbraw/zinc/41/69/22/781416922.db2.gz OCVAGMHVEJCKMX-PSASIEDQSA-N 1 2 296.331 -2.274 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cnn(C)n2)[C@H](O)C1 ZINC001090644578 781416923 /nfs/dbraw/zinc/41/69/23/781416923.db2.gz OCVAGMHVEJCKMX-PSASIEDQSA-N 1 2 296.331 -2.274 20 0 CAADLO Cn1ncc(C(=O)N[C@@H]2CC[N@H+](CCF)C[C@H]2O)n1 ZINC001090644526 781417313 /nfs/dbraw/zinc/41/73/13/781417313.db2.gz NNGZXOLEDJUCNR-PSASIEDQSA-N 1 2 271.296 -1.050 20 0 CAADLO Cn1ncc(C(=O)N[C@@H]2CC[N@@H+](CCF)C[C@H]2O)n1 ZINC001090644526 781417316 /nfs/dbraw/zinc/41/73/16/781417316.db2.gz NNGZXOLEDJUCNR-PSASIEDQSA-N 1 2 271.296 -1.050 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cnn(C)n2)[C@@H](O)C1 ZINC001090644581 781417378 /nfs/dbraw/zinc/41/73/78/781417378.db2.gz OCVAGMHVEJCKMX-WPRPVWTQSA-N 1 2 296.331 -2.274 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cnn(C)n2)[C@@H](O)C1 ZINC001090644581 781417386 /nfs/dbraw/zinc/41/73/86/781417386.db2.gz OCVAGMHVEJCKMX-WPRPVWTQSA-N 1 2 296.331 -2.274 20 0 CAADLO Cc1n[nH]c(C)c1C(=O)N[C@@H]1CC[N@H+](CC(N)=O)C[C@H]1O ZINC001090647353 781417457 /nfs/dbraw/zinc/41/74/57/781417457.db2.gz OPPMLRAUVOSTPD-NXEZZACHSA-N 1 2 295.343 -1.323 20 0 CAADLO Cc1n[nH]c(C)c1C(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C[C@H]1O ZINC001090647353 781417472 /nfs/dbraw/zinc/41/74/72/781417472.db2.gz OPPMLRAUVOSTPD-NXEZZACHSA-N 1 2 295.343 -1.323 20 0 CAADLO CC1(C(=O)N[C@@H]2CC[N@H+](CC(N)=O)C[C@@H]2O)CCOCC1 ZINC001090653411 781417539 /nfs/dbraw/zinc/41/75/39/781417539.db2.gz ZLGVFSVRKMJPBJ-MNOVXSKESA-N 1 2 299.371 -1.160 20 0 CAADLO CC1(C(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C[C@@H]2O)CCOCC1 ZINC001090653411 781417544 /nfs/dbraw/zinc/41/75/44/781417544.db2.gz ZLGVFSVRKMJPBJ-MNOVXSKESA-N 1 2 299.371 -1.160 20 0 CAADLO O=C(N[C@@H]1CC[N@@H+](CCO)C[C@H]1O)c1nc[nH]n1 ZINC001090657411 781418059 /nfs/dbraw/zinc/41/80/59/781418059.db2.gz AGFZMKHAXCXKEP-HTQZYQBOSA-N 1 2 255.278 -2.038 20 0 CAADLO O=C(N[C@@H]1CC[N@H+](CCO)C[C@H]1O)c1nc[nH]n1 ZINC001090657411 781418061 /nfs/dbraw/zinc/41/80/61/781418061.db2.gz AGFZMKHAXCXKEP-HTQZYQBOSA-N 1 2 255.278 -2.038 20 0 CAADLO COCC[N@@H+]1CC[C@H](NC(=O)c2nc[nH]n2)[C@H](O)C1 ZINC001090657875 781418197 /nfs/dbraw/zinc/41/81/97/781418197.db2.gz JSRXCFHZWMZETG-DTWKUNHWSA-N 1 2 269.305 -1.384 20 0 CAADLO COCC[N@H+]1CC[C@H](NC(=O)c2nc[nH]n2)[C@H](O)C1 ZINC001090657875 781418200 /nfs/dbraw/zinc/41/82/00/781418200.db2.gz JSRXCFHZWMZETG-DTWKUNHWSA-N 1 2 269.305 -1.384 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)c2ccncn2)[C@H](O)C1 ZINC001090663808 781418298 /nfs/dbraw/zinc/41/82/98/781418298.db2.gz NUAMEAPOKRMJFS-WCBMZHEXSA-N 1 2 279.300 -1.873 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)c2ccncn2)[C@H](O)C1 ZINC001090663808 781418306 /nfs/dbraw/zinc/41/83/06/781418306.db2.gz NUAMEAPOKRMJFS-WCBMZHEXSA-N 1 2 279.300 -1.873 20 0 CAADLO O=C(N[C@H]1CC[N@@H+](CCO)C[C@@H]1O)c1nc[nH]n1 ZINC001090657414 781418349 /nfs/dbraw/zinc/41/83/49/781418349.db2.gz AGFZMKHAXCXKEP-YUMQZZPRSA-N 1 2 255.278 -2.038 20 0 CAADLO O=C(N[C@H]1CC[N@H+](CCO)C[C@@H]1O)c1nc[nH]n1 ZINC001090657414 781418357 /nfs/dbraw/zinc/41/83/57/781418357.db2.gz AGFZMKHAXCXKEP-YUMQZZPRSA-N 1 2 255.278 -2.038 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cnon2)[C@H](O)C1 ZINC001090660441 781418759 /nfs/dbraw/zinc/41/87/59/781418759.db2.gz RRKOMQGHETWPNN-POYBYMJQSA-N 1 2 269.261 -2.280 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)c2cnon2)[C@H](O)C1 ZINC001090660441 781418765 /nfs/dbraw/zinc/41/87/65/781418765.db2.gz RRKOMQGHETWPNN-POYBYMJQSA-N 1 2 269.261 -2.280 20 0 CAADLO CN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cnon2)[C@@H](O)C1 ZINC001090660145 781418790 /nfs/dbraw/zinc/41/87/90/781418790.db2.gz OJCMLOPDTSHTGQ-SCZZXKLOSA-N 1 2 297.315 -1.677 20 0 CAADLO CN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)c2cnon2)[C@@H](O)C1 ZINC001090660145 781418793 /nfs/dbraw/zinc/41/87/93/781418793.db2.gz OJCMLOPDTSHTGQ-SCZZXKLOSA-N 1 2 297.315 -1.677 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ncccn2)[C@@H](O)C1 ZINC001090661238 781418861 /nfs/dbraw/zinc/41/88/61/781418861.db2.gz ZUFUCLUKQREGJW-ZJUUUORDSA-N 1 2 293.327 -1.612 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2ncccn2)[C@@H](O)C1 ZINC001090661238 781418867 /nfs/dbraw/zinc/41/88/67/781418867.db2.gz ZUFUCLUKQREGJW-ZJUUUORDSA-N 1 2 293.327 -1.612 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2ncccn2)[C@@H](O)C1 ZINC001090661235 781419056 /nfs/dbraw/zinc/41/90/56/781419056.db2.gz ZUFUCLUKQREGJW-UWVGGRQHSA-N 1 2 293.327 -1.612 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)c2ncccn2)[C@@H](O)C1 ZINC001090661235 781419063 /nfs/dbraw/zinc/41/90/63/781419063.db2.gz ZUFUCLUKQREGJW-UWVGGRQHSA-N 1 2 293.327 -1.612 20 0 CAADLO COCC[N@@H+]1CC[C@@H](NC(=O)c2nc[nH]n2)[C@@H](O)C1 ZINC001090657874 781419334 /nfs/dbraw/zinc/41/93/34/781419334.db2.gz JSRXCFHZWMZETG-BDAKNGLRSA-N 1 2 269.305 -1.384 20 0 CAADLO COCC[N@H+]1CC[C@@H](NC(=O)c2nc[nH]n2)[C@@H](O)C1 ZINC001090657874 781419336 /nfs/dbraw/zinc/41/93/36/781419336.db2.gz JSRXCFHZWMZETG-BDAKNGLRSA-N 1 2 269.305 -1.384 20 0 CAADLO COCC[N@@H+]1CC[C@@H](NC(=O)c2nc[nH]n2)[C@H](O)C1 ZINC001090657877 781419367 /nfs/dbraw/zinc/41/93/67/781419367.db2.gz JSRXCFHZWMZETG-RKDXNWHRSA-N 1 2 269.305 -1.384 20 0 CAADLO COCC[N@H+]1CC[C@@H](NC(=O)c2nc[nH]n2)[C@H](O)C1 ZINC001090657877 781419369 /nfs/dbraw/zinc/41/93/69/781419369.db2.gz JSRXCFHZWMZETG-RKDXNWHRSA-N 1 2 269.305 -1.384 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cccnn2)[C@H](O)C1 ZINC001090667994 781419723 /nfs/dbraw/zinc/41/97/23/781419723.db2.gz QPUNZCBEOFXIMV-PSASIEDQSA-N 1 2 279.300 -1.873 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cccnn2)[C@H](O)C1 ZINC001090667994 781419730 /nfs/dbraw/zinc/41/97/30/781419730.db2.gz QPUNZCBEOFXIMV-PSASIEDQSA-N 1 2 279.300 -1.873 20 0 CAADLO COc1ccc(C(=O)N[C@H]2CC[N@H+](CC(N)=O)C[C@H]2O)o1 ZINC001090673256 781419755 /nfs/dbraw/zinc/41/97/55/781419755.db2.gz KAGNUVMKENAVBL-DTWKUNHWSA-N 1 2 297.311 -1.062 20 0 CAADLO COc1ccc(C(=O)N[C@H]2CC[N@@H+](CC(N)=O)C[C@H]2O)o1 ZINC001090673256 781419763 /nfs/dbraw/zinc/41/97/63/781419763.db2.gz KAGNUVMKENAVBL-DTWKUNHWSA-N 1 2 297.311 -1.062 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)Cc2ncc[nH]2)[C@H](O)C1 ZINC001090675873 781419820 /nfs/dbraw/zinc/41/98/20/781419820.db2.gz LCZQDPRIKZYOCE-DTWKUNHWSA-N 1 2 281.316 -2.011 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)Cc2ncc[nH]2)[C@H](O)C1 ZINC001090675873 781419828 /nfs/dbraw/zinc/41/98/28/781419828.db2.gz LCZQDPRIKZYOCE-DTWKUNHWSA-N 1 2 281.316 -2.011 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)Cc2ccco2)[C@@H](O)C1 ZINC001090664804 781420420 /nfs/dbraw/zinc/42/04/20/781420420.db2.gz MLUJKOMGHLXHEA-QWRGUYRKSA-N 1 2 281.312 -1.141 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)Cc2ccco2)[C@@H](O)C1 ZINC001090664804 781420423 /nfs/dbraw/zinc/42/04/23/781420423.db2.gz MLUJKOMGHLXHEA-QWRGUYRKSA-N 1 2 281.312 -1.141 20 0 CAADLO COc1ccc(C(=O)N[C@H]2CC[N@H+](CC(N)=O)C[C@@H]2O)o1 ZINC001090673257 781420448 /nfs/dbraw/zinc/42/04/48/781420448.db2.gz KAGNUVMKENAVBL-IUCAKERBSA-N 1 2 297.311 -1.062 20 0 CAADLO COc1ccc(C(=O)N[C@H]2CC[N@@H+](CC(N)=O)C[C@@H]2O)o1 ZINC001090673257 781420451 /nfs/dbraw/zinc/42/04/51/781420451.db2.gz KAGNUVMKENAVBL-IUCAKERBSA-N 1 2 297.311 -1.062 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)c2ncccn2)[C@@H](O)C1 ZINC001090664212 781420480 /nfs/dbraw/zinc/42/04/80/781420480.db2.gz HDLJWJMZZYAGDE-IUCAKERBSA-N 1 2 279.300 -1.873 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)c2ncccn2)[C@@H](O)C1 ZINC001090664212 781420482 /nfs/dbraw/zinc/42/04/82/781420482.db2.gz HDLJWJMZZYAGDE-IUCAKERBSA-N 1 2 279.300 -1.873 20 0 CAADLO Cc1nc(C(=O)N[C@@H]2CC[N@H+](CC(N)=O)C[C@H]2O)c(C)o1 ZINC001090676959 781420590 /nfs/dbraw/zinc/42/05/90/781420590.db2.gz WIUYKQLRHQRIHU-NXEZZACHSA-N 1 2 296.327 -1.058 20 0 CAADLO Cc1nc(C(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C[C@H]2O)c(C)o1 ZINC001090676959 781420593 /nfs/dbraw/zinc/42/05/93/781420593.db2.gz WIUYKQLRHQRIHU-NXEZZACHSA-N 1 2 296.327 -1.058 20 0 CAADLO Cc1nc(C(=O)N[C@H]2CC[N@H+](CC(N)=O)C[C@H]2O)c(C)o1 ZINC001090676961 781420652 /nfs/dbraw/zinc/42/06/52/781420652.db2.gz WIUYKQLRHQRIHU-VHSXEESVSA-N 1 2 296.327 -1.058 20 0 CAADLO Cc1nc(C(=O)N[C@H]2CC[N@@H+](CC(N)=O)C[C@H]2O)c(C)o1 ZINC001090676961 781420656 /nfs/dbraw/zinc/42/06/56/781420656.db2.gz WIUYKQLRHQRIHU-VHSXEESVSA-N 1 2 296.327 -1.058 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)Cc2ncc[nH]2)[C@@H](O)C1 ZINC001090673865 781420662 /nfs/dbraw/zinc/42/06/62/781420662.db2.gz NBOUFEMZFFCCNN-UWVGGRQHSA-N 1 2 295.343 -1.750 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)Cc2ncc[nH]2)[C@@H](O)C1 ZINC001090673865 781420665 /nfs/dbraw/zinc/42/06/65/781420665.db2.gz NBOUFEMZFFCCNN-UWVGGRQHSA-N 1 2 295.343 -1.750 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)c2ncccc2F)[C@H](O)C1 ZINC001090676321 781420711 /nfs/dbraw/zinc/42/07/11/781420711.db2.gz NKWDJPBLKIBOSA-VHSXEESVSA-N 1 2 296.302 -1.129 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)c2ncccc2F)[C@H](O)C1 ZINC001090676321 781420713 /nfs/dbraw/zinc/42/07/13/781420713.db2.gz NKWDJPBLKIBOSA-VHSXEESVSA-N 1 2 296.302 -1.129 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)c2ncccn2)[C@H](O)C1 ZINC001090664210 781420771 /nfs/dbraw/zinc/42/07/71/781420771.db2.gz HDLJWJMZZYAGDE-DTWKUNHWSA-N 1 2 279.300 -1.873 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)c2ncccn2)[C@H](O)C1 ZINC001090664210 781420773 /nfs/dbraw/zinc/42/07/73/781420773.db2.gz HDLJWJMZZYAGDE-DTWKUNHWSA-N 1 2 279.300 -1.873 20 0 CAADLO CCn1cc(C(=O)N[C@@H]2CC[N@H+](CC(N)=O)C[C@@H]2O)nn1 ZINC001090682809 781420894 /nfs/dbraw/zinc/42/08/94/781420894.db2.gz MZYPRAOLRKTVGX-SCZZXKLOSA-N 1 2 296.331 -2.052 20 0 CAADLO CCn1cc(C(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C[C@@H]2O)nn1 ZINC001090682809 781420901 /nfs/dbraw/zinc/42/09/01/781420901.db2.gz MZYPRAOLRKTVGX-SCZZXKLOSA-N 1 2 296.331 -2.052 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ncccn2)[C@H](O)C1 ZINC001090664214 781420974 /nfs/dbraw/zinc/42/09/74/781420974.db2.gz HDLJWJMZZYAGDE-RKDXNWHRSA-N 1 2 279.300 -1.873 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)c2ncccn2)[C@H](O)C1 ZINC001090664214 781420978 /nfs/dbraw/zinc/42/09/78/781420978.db2.gz HDLJWJMZZYAGDE-RKDXNWHRSA-N 1 2 279.300 -1.873 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cc2ncc[nH]2)[C@@H](O)C1 ZINC001090673868 781421055 /nfs/dbraw/zinc/42/10/55/781421055.db2.gz NBOUFEMZFFCCNN-ZJUUUORDSA-N 1 2 295.343 -1.750 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)Cc2ncc[nH]2)[C@@H](O)C1 ZINC001090673868 781421060 /nfs/dbraw/zinc/42/10/60/781421060.db2.gz NBOUFEMZFFCCNN-ZJUUUORDSA-N 1 2 295.343 -1.750 20 0 CAADLO Cc1nonc1CC(=O)N[C@H]1CC[N@H+](CC(N)=O)C[C@@H]1O ZINC001090690606 781421687 /nfs/dbraw/zinc/42/16/87/781421687.db2.gz RLZILNRWIPIMFT-WPRPVWTQSA-N 1 2 297.315 -2.043 20 0 CAADLO Cc1nonc1CC(=O)N[C@H]1CC[N@@H+](CC(N)=O)C[C@@H]1O ZINC001090690606 781421692 /nfs/dbraw/zinc/42/16/92/781421692.db2.gz RLZILNRWIPIMFT-WPRPVWTQSA-N 1 2 297.315 -2.043 20 0 CAADLO Cc1cnoc1C(=O)N[C@H]1CC[N@H+](CC(N)=O)C[C@@H]1O ZINC001090691204 781421759 /nfs/dbraw/zinc/42/17/59/781421759.db2.gz AHAAFUUMDVCIFN-IUCAKERBSA-N 1 2 282.300 -1.367 20 0 CAADLO Cc1cnoc1C(=O)N[C@H]1CC[N@@H+](CC(N)=O)C[C@@H]1O ZINC001090691204 781421761 /nfs/dbraw/zinc/42/17/61/781421761.db2.gz AHAAFUUMDVCIFN-IUCAKERBSA-N 1 2 282.300 -1.367 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2oncc2C)[C@H](O)C1 ZINC001090690897 781421982 /nfs/dbraw/zinc/42/19/82/781421982.db2.gz VLPDRYJGHNHERV-NXEZZACHSA-N 1 2 296.327 -1.106 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2oncc2C)[C@H](O)C1 ZINC001090690897 781421986 /nfs/dbraw/zinc/42/19/86/781421986.db2.gz VLPDRYJGHNHERV-NXEZZACHSA-N 1 2 296.327 -1.106 20 0 CAADLO Cc1conc1C(=O)N[C@H]1CC[N@H+](CC(N)=O)C[C@@H]1O ZINC001090709625 781424015 /nfs/dbraw/zinc/42/40/15/781424015.db2.gz OIKIZRSHMGJPCU-IUCAKERBSA-N 1 2 282.300 -1.367 20 0 CAADLO Cc1conc1C(=O)N[C@H]1CC[N@@H+](CC(N)=O)C[C@@H]1O ZINC001090709625 781424019 /nfs/dbraw/zinc/42/40/19/781424019.db2.gz OIKIZRSHMGJPCU-IUCAKERBSA-N 1 2 282.300 -1.367 20 0 CAADLO Cc1conc1C(=O)N[C@@H]1CC[N@H+](CC(N)=O)C[C@@H]1O ZINC001090709623 781424029 /nfs/dbraw/zinc/42/40/29/781424029.db2.gz OIKIZRSHMGJPCU-BDAKNGLRSA-N 1 2 282.300 -1.367 20 0 CAADLO Cc1conc1C(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C[C@@H]1O ZINC001090709623 781424033 /nfs/dbraw/zinc/42/40/33/781424033.db2.gz OIKIZRSHMGJPCU-BDAKNGLRSA-N 1 2 282.300 -1.367 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)Cc2nc[nH]n2)[C@H](O)C1 ZINC001090708800 781424138 /nfs/dbraw/zinc/42/41/38/781424138.db2.gz YNIZPUYHWACSOV-DTWKUNHWSA-N 1 2 296.331 -2.355 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)Cc2nc[nH]n2)[C@H](O)C1 ZINC001090708800 781424143 /nfs/dbraw/zinc/42/41/43/781424143.db2.gz YNIZPUYHWACSOV-DTWKUNHWSA-N 1 2 296.331 -2.355 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2nocc2C)[C@H](O)C1 ZINC001090707572 781424652 /nfs/dbraw/zinc/42/46/52/781424652.db2.gz ZSFGORKHTNKVPH-NXEZZACHSA-N 1 2 296.327 -1.106 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2nocc2C)[C@H](O)C1 ZINC001090707572 781424662 /nfs/dbraw/zinc/42/46/62/781424662.db2.gz ZSFGORKHTNKVPH-NXEZZACHSA-N 1 2 296.327 -1.106 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2nocc2C)[C@@H](O)C1 ZINC001090707575 781424757 /nfs/dbraw/zinc/42/47/57/781424757.db2.gz ZSFGORKHTNKVPH-ZJUUUORDSA-N 1 2 296.327 -1.106 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2nocc2C)[C@@H](O)C1 ZINC001090707575 781424761 /nfs/dbraw/zinc/42/47/61/781424761.db2.gz ZSFGORKHTNKVPH-ZJUUUORDSA-N 1 2 296.327 -1.106 20 0 CAADLO O=C(Cc1nc[nH]n1)N[C@H]1CC[N@@H+](CCF)C[C@H]1O ZINC001090707766 781425587 /nfs/dbraw/zinc/42/55/87/781425587.db2.gz NUJBAUNXNHCMAL-DTWKUNHWSA-N 1 2 271.296 -1.132 20 0 CAADLO O=C(Cc1nc[nH]n1)N[C@H]1CC[N@H+](CCF)C[C@H]1O ZINC001090707766 781425591 /nfs/dbraw/zinc/42/55/91/781425591.db2.gz NUJBAUNXNHCMAL-DTWKUNHWSA-N 1 2 271.296 -1.132 20 0 CAADLO Cn1cncc1CC(=O)N[C@@H]1CC[N@H+](CC(N)=O)C[C@@H]1O ZINC001090727081 781426110 /nfs/dbraw/zinc/42/61/10/781426110.db2.gz GZEVJPFHOPHGMF-MNOVXSKESA-N 1 2 295.343 -2.001 20 0 CAADLO Cn1cncc1CC(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C[C@@H]1O ZINC001090727081 781426118 /nfs/dbraw/zinc/42/61/18/781426118.db2.gz GZEVJPFHOPHGMF-MNOVXSKESA-N 1 2 295.343 -2.001 20 0 CAADLO Cn1cncc1CC(=O)N[C@@H]1CC[N@H+](CC(N)=O)C[C@H]1O ZINC001090727080 781426414 /nfs/dbraw/zinc/42/64/14/781426414.db2.gz GZEVJPFHOPHGMF-GHMZBOCLSA-N 1 2 295.343 -2.001 20 0 CAADLO Cn1cncc1CC(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C[C@H]1O ZINC001090727080 781426417 /nfs/dbraw/zinc/42/64/17/781426417.db2.gz GZEVJPFHOPHGMF-GHMZBOCLSA-N 1 2 295.343 -2.001 20 0 CAADLO CCc1cc(C(=O)N[C@H]2CC[N@H+](CC(N)=O)C[C@@H]2O)no1 ZINC001090739149 781426746 /nfs/dbraw/zinc/42/67/46/781426746.db2.gz GBYYXICTHGRHIC-ONGXEEELSA-N 1 2 296.327 -1.113 20 0 CAADLO CCc1cc(C(=O)N[C@H]2CC[N@@H+](CC(N)=O)C[C@@H]2O)no1 ZINC001090739149 781426750 /nfs/dbraw/zinc/42/67/50/781426750.db2.gz GBYYXICTHGRHIC-ONGXEEELSA-N 1 2 296.327 -1.113 20 0 CAADLO CCn1cnc(C(=O)N[C@@H]2CC[N@H+](CC(N)=O)C[C@@H]2O)c1 ZINC001090734578 781426868 /nfs/dbraw/zinc/42/68/68/781426868.db2.gz NLEUHTKCVAEONZ-KOLCDFICSA-N 1 2 295.343 -1.447 20 0 CAADLO CCn1cnc(C(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C[C@@H]2O)c1 ZINC001090734578 781426874 /nfs/dbraw/zinc/42/68/74/781426874.db2.gz NLEUHTKCVAEONZ-KOLCDFICSA-N 1 2 295.343 -1.447 20 0 CAADLO CCn1cnc(C(=O)N[C@H]2CC[N@H+](CC(N)=O)C[C@@H]2O)c1 ZINC001090734580 781427016 /nfs/dbraw/zinc/42/70/16/781427016.db2.gz NLEUHTKCVAEONZ-ONGXEEELSA-N 1 2 295.343 -1.447 20 0 CAADLO CCn1cnc(C(=O)N[C@H]2CC[N@@H+](CC(N)=O)C[C@@H]2O)c1 ZINC001090734580 781427024 /nfs/dbraw/zinc/42/70/24/781427024.db2.gz NLEUHTKCVAEONZ-ONGXEEELSA-N 1 2 295.343 -1.447 20 0 CAADLO C[C@H](NC(=O)[C@H]1C[C@H]1C(N)=O)[C@@H]1CN(C)CC[N@@H+]1C ZINC001136874768 781429709 /nfs/dbraw/zinc/42/97/09/781429709.db2.gz SKUNLVJUGNAVRI-VLEAKVRGSA-N 1 2 268.361 -1.142 20 0 CAADLO C[C@H](NC(=O)[C@H]1C[C@H]1C(N)=O)[C@@H]1CN(C)CC[N@H+]1C ZINC001136874768 781429715 /nfs/dbraw/zinc/42/97/15/781429715.db2.gz SKUNLVJUGNAVRI-VLEAKVRGSA-N 1 2 268.361 -1.142 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)c2ccc(=O)[nH]c2)[C@@H](O)C1 ZINC001090779307 781431894 /nfs/dbraw/zinc/43/18/94/781431894.db2.gz CYROTLSXFJTKNN-UWVGGRQHSA-N 1 2 294.311 -1.563 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)c2ccc(=O)[nH]c2)[C@@H](O)C1 ZINC001090779307 781431905 /nfs/dbraw/zinc/43/19/05/781431905.db2.gz CYROTLSXFJTKNN-UWVGGRQHSA-N 1 2 294.311 -1.563 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)Cn2cncn2)[C@H](O)C1 ZINC001090786825 781431995 /nfs/dbraw/zinc/43/19/95/781431995.db2.gz JEGVVEZSLIDBQG-DTWKUNHWSA-N 1 2 282.304 -2.685 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)Cn2cncn2)[C@H](O)C1 ZINC001090786825 781431997 /nfs/dbraw/zinc/43/19/97/781431997.db2.gz JEGVVEZSLIDBQG-DTWKUNHWSA-N 1 2 282.304 -2.685 20 0 CAADLO Cc1c[nH]cc1C(=O)N[C@H]1CC[N@H+](CC(N)=O)C[C@@H]1O ZINC001090804330 781433202 /nfs/dbraw/zinc/43/32/02/781433202.db2.gz HPHWFYCMDPPXIM-QWRGUYRKSA-N 1 2 280.328 -1.027 20 0 CAADLO Cc1c[nH]cc1C(=O)N[C@H]1CC[N@@H+](CC(N)=O)C[C@@H]1O ZINC001090804330 781433209 /nfs/dbraw/zinc/43/32/09/781433209.db2.gz HPHWFYCMDPPXIM-QWRGUYRKSA-N 1 2 280.328 -1.027 20 0 CAADLO Cc1c[nH]cc1C(=O)N[C@H]1CC[N@H+](CC(N)=O)C[C@H]1O ZINC001090804331 781433295 /nfs/dbraw/zinc/43/32/95/781433295.db2.gz HPHWFYCMDPPXIM-WDEREUQCSA-N 1 2 280.328 -1.027 20 0 CAADLO Cc1c[nH]cc1C(=O)N[C@H]1CC[N@@H+](CC(N)=O)C[C@H]1O ZINC001090804331 781433301 /nfs/dbraw/zinc/43/33/01/781433301.db2.gz HPHWFYCMDPPXIM-WDEREUQCSA-N 1 2 280.328 -1.027 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)Cc2ccc[nH]2)[C@H](O)C1 ZINC001090823180 781434676 /nfs/dbraw/zinc/43/46/76/781434676.db2.gz HZOHVXDXYNRAIF-NWDGAFQWSA-N 1 2 294.355 -1.145 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)Cc2ccc[nH]2)[C@H](O)C1 ZINC001090823180 781434683 /nfs/dbraw/zinc/43/46/83/781434683.db2.gz HZOHVXDXYNRAIF-NWDGAFQWSA-N 1 2 294.355 -1.145 20 0 CAADLO Cn1ccc(C(=O)N[C@@H]2CC[N@H+](CC(N)=O)C[C@H]2O)n1 ZINC001090809025 781434802 /nfs/dbraw/zinc/43/48/02/781434802.db2.gz QSXRBSFSCNLYEF-PSASIEDQSA-N 1 2 281.316 -1.930 20 0 CAADLO Cn1ccc(C(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C[C@H]2O)n1 ZINC001090809025 781434809 /nfs/dbraw/zinc/43/48/09/781434809.db2.gz QSXRBSFSCNLYEF-PSASIEDQSA-N 1 2 281.316 -1.930 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cc2ccc[nH]2)[C@H](O)C1 ZINC001090824715 781434903 /nfs/dbraw/zinc/43/49/03/781434903.db2.gz SIDVVUUZPFHXOK-GHMZBOCLSA-N 1 2 280.328 -1.406 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)Cc2ccc[nH]2)[C@H](O)C1 ZINC001090824715 781434911 /nfs/dbraw/zinc/43/49/11/781434911.db2.gz SIDVVUUZPFHXOK-GHMZBOCLSA-N 1 2 280.328 -1.406 20 0 CAADLO Cn1ccc(C(=O)N[C@H]2CC[N@H+](CC(N)=O)C[C@H]2O)n1 ZINC001090809027 781435414 /nfs/dbraw/zinc/43/54/14/781435414.db2.gz QSXRBSFSCNLYEF-WCBMZHEXSA-N 1 2 281.316 -1.930 20 0 CAADLO Cn1ccc(C(=O)N[C@H]2CC[N@@H+](CC(N)=O)C[C@H]2O)n1 ZINC001090809027 781435417 /nfs/dbraw/zinc/43/54/17/781435417.db2.gz QSXRBSFSCNLYEF-WCBMZHEXSA-N 1 2 281.316 -1.930 20 0 CAADLO Cc1nccc(C(=O)N[C@@H]2CC[N@H+](CC(N)=O)C[C@@H]2O)n1 ZINC001090820017 781435928 /nfs/dbraw/zinc/43/59/28/781435928.db2.gz LQKWINZBBUTWPD-KOLCDFICSA-N 1 2 293.327 -1.565 20 0 CAADLO Cc1nccc(C(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C[C@@H]2O)n1 ZINC001090820017 781435930 /nfs/dbraw/zinc/43/59/30/781435930.db2.gz LQKWINZBBUTWPD-KOLCDFICSA-N 1 2 293.327 -1.565 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2ccn(C)n2)[C@H](O)C1 ZINC001090809182 781436079 /nfs/dbraw/zinc/43/60/79/781436079.db2.gz SMPAOVPLTVEWQZ-GXSJLCMTSA-N 1 2 295.343 -1.669 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)c2ccn(C)n2)[C@H](O)C1 ZINC001090809182 781436083 /nfs/dbraw/zinc/43/60/83/781436083.db2.gz SMPAOVPLTVEWQZ-GXSJLCMTSA-N 1 2 295.343 -1.669 20 0 CAADLO Cc1nc[nH]c1C(=O)N[C@H]1CC[N@H+](CC(N)=O)C[C@H]1O ZINC001090847683 781437591 /nfs/dbraw/zinc/43/75/91/781437591.db2.gz AIDBQYROZMOBJN-DTWKUNHWSA-N 1 2 281.316 -1.632 20 0 CAADLO Cc1nc[nH]c1C(=O)N[C@H]1CC[N@@H+](CC(N)=O)C[C@H]1O ZINC001090847683 781437593 /nfs/dbraw/zinc/43/75/93/781437593.db2.gz AIDBQYROZMOBJN-DTWKUNHWSA-N 1 2 281.316 -1.632 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2nonc2C)[C@@H](O)C1 ZINC001090851242 781437842 /nfs/dbraw/zinc/43/78/42/781437842.db2.gz AWDXARBXPCYUSV-IUCAKERBSA-N 1 2 297.315 -1.711 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)c2nonc2C)[C@@H](O)C1 ZINC001090851242 781437848 /nfs/dbraw/zinc/43/78/48/781437848.db2.gz AWDXARBXPCYUSV-IUCAKERBSA-N 1 2 297.315 -1.711 20 0 CAADLO Cn1nnc(C[NH2+]CCCNC(=O)C(C)(C)C(N)=O)n1 ZINC001160402802 781439149 /nfs/dbraw/zinc/43/91/49/781439149.db2.gz BHHXNFJAIGXONQ-UHFFFAOYSA-N 1 2 283.336 -1.683 20 0 CAADLO CCOC(=O)C[C@H]1C(=O)NCCN1C(=O)[C@@H]1COCC[NH2+]1 ZINC001160441754 781439744 /nfs/dbraw/zinc/43/97/44/781439744.db2.gz XJJXLZOGCANOEI-UWVGGRQHSA-N 1 2 299.327 -1.745 20 0 CAADLO NC(=O)CN(CC(N)=O)C(=O)CCc1c[nH]c[nH+]1 ZINC001143877318 781440584 /nfs/dbraw/zinc/44/05/84/781440584.db2.gz HRAFDQPQOPECLZ-UHFFFAOYSA-N 1 2 253.262 -1.859 20 0 CAADLO NC(=O)CN(CC(N)=O)C(=O)CCc1c[nH+]c[nH]1 ZINC001143877318 781440590 /nfs/dbraw/zinc/44/05/90/781440590.db2.gz HRAFDQPQOPECLZ-UHFFFAOYSA-N 1 2 253.262 -1.859 20 0 CAADLO C[N@@H+]1CCN(C(=O)c2c[nH]c(C(N)=O)c2)C[C@@H]1CO ZINC001171137491 781443141 /nfs/dbraw/zinc/44/31/41/781443141.db2.gz CLBSLIUOCIPKGD-SECBINFHSA-N 1 2 266.301 -1.138 20 0 CAADLO C[N@H+]1CCN(C(=O)c2c[nH]c(C(N)=O)c2)C[C@@H]1CO ZINC001171137491 781443145 /nfs/dbraw/zinc/44/31/45/781443145.db2.gz CLBSLIUOCIPKGD-SECBINFHSA-N 1 2 266.301 -1.138 20 0 CAADLO CNC(=O)/C=C/C(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C ZINC001144082636 781443453 /nfs/dbraw/zinc/44/34/53/781443453.db2.gz BYESYXJUQZJPGH-OKWQPMOJSA-N 1 2 253.302 -1.170 20 0 CAADLO CNC(=O)/C=C/C(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C ZINC001144082636 781443455 /nfs/dbraw/zinc/44/34/55/781443455.db2.gz BYESYXJUQZJPGH-OKWQPMOJSA-N 1 2 253.302 -1.170 20 0 CAADLO [NH3+][C@@H]1NCN(C(=O)CCC(=O)C2CC2)[C@H]2NCN[C@H]21 ZINC001144235099 781446641 /nfs/dbraw/zinc/44/66/41/781446641.db2.gz COPZOFNAAFFHFQ-QJPTWQEYSA-N 1 2 267.333 -1.735 20 0 CAADLO [NH3+][C@@H]1NCN(C(=O)CCC(=O)C2CC2)[C@H]2NCN[C@@H]21 ZINC001144235097 781447142 /nfs/dbraw/zinc/44/71/42/781447142.db2.gz COPZOFNAAFFHFQ-IJLUTSLNSA-N 1 2 267.333 -1.735 20 0 CAADLO [NH3+][C@@H]1NCN(C(=O)CCC(=O)C2CC2)[C@@H]2NCN[C@H]21 ZINC001144235101 781447581 /nfs/dbraw/zinc/44/75/81/781447581.db2.gz COPZOFNAAFFHFQ-TUAOUCFPSA-N 1 2 267.333 -1.735 20 0 CAADLO Cn1cc[nH+]c1CCNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001144339791 781451100 /nfs/dbraw/zinc/45/11/00/781451100.db2.gz XZXLXWFRHZESHK-ZETCQYMHSA-N 1 2 265.273 -1.323 20 0 CAADLO C[N@@H+]1CCO[C@@H](CNC(=O)CCCS(N)(=O)=O)C1 ZINC001144593855 781460701 /nfs/dbraw/zinc/46/07/01/781460701.db2.gz QKMFVORNCTUFFL-VIFPVBQESA-N 1 2 279.362 -1.498 20 0 CAADLO C[N@H+]1CCO[C@@H](CNC(=O)CCCS(N)(=O)=O)C1 ZINC001144593855 781460705 /nfs/dbraw/zinc/46/07/05/781460705.db2.gz QKMFVORNCTUFFL-VIFPVBQESA-N 1 2 279.362 -1.498 20 0 CAADLO Cn1nnnc1C[NH2+]C1CC(CNC(=O)c2cn[nH]n2)C1 ZINC001091111724 781455951 /nfs/dbraw/zinc/45/59/51/781455951.db2.gz LRQHDVSFWNOUKR-UHFFFAOYSA-N 1 2 291.319 -1.374 20 0 CAADLO Cn1nnnc1C[NH2+]C1CC(CNC(=O)c2cnn[nH]2)C1 ZINC001091111724 781455955 /nfs/dbraw/zinc/45/59/55/781455955.db2.gz LRQHDVSFWNOUKR-UHFFFAOYSA-N 1 2 291.319 -1.374 20 0 CAADLO NC(=O)CCC(=O)N1CCC[N@H+](CC(N)=O)CC1 ZINC001144558220 781457529 /nfs/dbraw/zinc/45/75/29/781457529.db2.gz MPZDLZZCSSQEPY-UHFFFAOYSA-N 1 2 256.306 -1.729 20 0 CAADLO NC(=O)CCC(=O)N1CCC[N@@H+](CC(N)=O)CC1 ZINC001144558220 781457531 /nfs/dbraw/zinc/45/75/31/781457531.db2.gz MPZDLZZCSSQEPY-UHFFFAOYSA-N 1 2 256.306 -1.729 20 0 CAADLO CN(C)C(=O)/C=C/C(=O)N1CCC[N@H+](CC(N)=O)CC1 ZINC001144558211 781457659 /nfs/dbraw/zinc/45/76/59/781457659.db2.gz MMDJHBMYTPGZIZ-SNAWJCMRSA-N 1 2 282.344 -1.350 20 0 CAADLO CN(C)C(=O)/C=C/C(=O)N1CCC[N@@H+](CC(N)=O)CC1 ZINC001144558211 781457663 /nfs/dbraw/zinc/45/76/63/781457663.db2.gz MMDJHBMYTPGZIZ-SNAWJCMRSA-N 1 2 282.344 -1.350 20 0 CAADLO COC(=O)[C@@H]1C[C@H]([N@@H+]2CC[C@H](O)[C@@](C)(CO)C2)CN1 ZINC001246590285 781463616 /nfs/dbraw/zinc/46/36/16/781463616.db2.gz JBKUQWRTMXAVHT-MRBYEJRBSA-N 1 2 272.345 -1.045 20 0 CAADLO COC(=O)[C@@H]1C[C@H]([N@H+]2CC[C@H](O)[C@@](C)(CO)C2)CN1 ZINC001246590285 781463621 /nfs/dbraw/zinc/46/36/21/781463621.db2.gz JBKUQWRTMXAVHT-MRBYEJRBSA-N 1 2 272.345 -1.045 20 0 CAADLO O=C(NCCn1cc[nH+]c1)C(=O)[C@H](O)[C@H](O)[C@H](O)CO ZINC001144895643 781468045 /nfs/dbraw/zinc/46/80/45/781468045.db2.gz WGXHRLHXMXHWFB-IWSPIJDZSA-N 1 2 287.272 -3.357 20 0 CAADLO COC[C@H](C)C(=O)NC[C@@H]1C[N@H+](CC(N)=O)CCCO1 ZINC001149391706 781476590 /nfs/dbraw/zinc/47/65/90/781476590.db2.gz POICKHVIKSUFJY-WDEREUQCSA-N 1 2 287.360 -1.039 20 0 CAADLO COC[C@H](C)C(=O)NC[C@@H]1C[N@@H+](CC(N)=O)CCCO1 ZINC001149391706 781476597 /nfs/dbraw/zinc/47/65/97/781476597.db2.gz POICKHVIKSUFJY-WDEREUQCSA-N 1 2 287.360 -1.039 20 0 CAADLO COCCC1(C(=O)N[C@H]2CC[N@H+](CC(N)=O)C[C@H]2O)CC1 ZINC001099873803 781479974 /nfs/dbraw/zinc/47/99/74/781479974.db2.gz APEBTEBCHLYELY-WDEREUQCSA-N 1 2 299.371 -1.160 20 0 CAADLO COCCC1(C(=O)N[C@H]2CC[N@@H+](CC(N)=O)C[C@H]2O)CC1 ZINC001099873803 781479984 /nfs/dbraw/zinc/47/99/84/781479984.db2.gz APEBTEBCHLYELY-WDEREUQCSA-N 1 2 299.371 -1.160 20 0 CAADLO COCCC1(C(=O)N[C@@H]2CC[N@H+](CC(N)=O)C[C@H]2O)CC1 ZINC001099873800 781480510 /nfs/dbraw/zinc/48/05/10/781480510.db2.gz APEBTEBCHLYELY-GHMZBOCLSA-N 1 2 299.371 -1.160 20 0 CAADLO COCCC1(C(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C[C@H]2O)CC1 ZINC001099873800 781480513 /nfs/dbraw/zinc/48/05/13/781480513.db2.gz APEBTEBCHLYELY-GHMZBOCLSA-N 1 2 299.371 -1.160 20 0 CAADLO O=C(CC[C@@H]1NC(=O)NC1=O)NCCn1cc[nH+]c1 ZINC000042720675 781480855 /nfs/dbraw/zinc/48/08/55/781480855.db2.gz HUPNMPXFGSJSKV-QMMMGPOBSA-N 1 2 265.273 -1.013 20 0 CAADLO Cn1ncnc1COCC(=O)NCC[NH2+]Cc1cnon1 ZINC001146199790 781481969 /nfs/dbraw/zinc/48/19/69/781481969.db2.gz CTLDAZZSXYARMG-UHFFFAOYSA-N 1 2 295.303 -1.379 20 0 CAADLO CN1CC[N@H+](C)[C@H](CNC(=O)C[C@H]2CC(=O)N2)C1 ZINC001146377446 781483714 /nfs/dbraw/zinc/48/37/14/781483714.db2.gz YSKVYOJWQNYFLF-VHSXEESVSA-N 1 2 254.334 -1.373 20 0 CAADLO CN1CC[N@@H+](C)[C@H](CNC(=O)C[C@H]2CC(=O)N2)C1 ZINC001146377446 781483715 /nfs/dbraw/zinc/48/37/15/781483715.db2.gz YSKVYOJWQNYFLF-VHSXEESVSA-N 1 2 254.334 -1.373 20 0 CAADLO O=C(C1=C[C@@H](O)[C@@H](O)[C@H](O)C1)N1CCc2[nH+]ccn2CC1 ZINC001146620830 781488149 /nfs/dbraw/zinc/48/81/49/781488149.db2.gz DBIYQPLTEKGKMS-NQBHXWOUSA-N 1 2 293.323 -1.319 20 0 CAADLO C[N@@H+]1CCO[C@@H](CNC(=O)C2=C[C@@H](O)[C@@H](O)[C@H](O)C2)C1 ZINC001146626692 781489413 /nfs/dbraw/zinc/48/94/13/781489413.db2.gz OWWLNSLUMQDKSK-IRCOFANPSA-N 1 2 286.328 -2.154 20 0 CAADLO C[N@H+]1CCO[C@@H](CNC(=O)C2=C[C@@H](O)[C@@H](O)[C@H](O)C2)C1 ZINC001146626692 781489418 /nfs/dbraw/zinc/48/94/18/781489418.db2.gz OWWLNSLUMQDKSK-IRCOFANPSA-N 1 2 286.328 -2.154 20 0 CAADLO Cn1ncnc1C(=O)N[C@@H](CO)Cc1c[nH]c[nH+]1 ZINC001147001209 781496915 /nfs/dbraw/zinc/49/69/15/781496915.db2.gz JBJDEQYLMFXMRI-MRVPVSSYSA-N 1 2 250.262 -1.128 20 0 CAADLO Cn1ncnc1C(=O)N[C@@H](CO)Cc1c[nH+]c[nH]1 ZINC001147001209 781496921 /nfs/dbraw/zinc/49/69/21/781496921.db2.gz JBJDEQYLMFXMRI-MRVPVSSYSA-N 1 2 250.262 -1.128 20 0 CAADLO Cn1[nH]c(C[NH2+]CCNC(=O)[C@@H]2C[C@]23CCOC3)nc1=O ZINC001147004142 781497211 /nfs/dbraw/zinc/49/72/11/781497211.db2.gz SXULQQCVTDDIEX-ZANVPECISA-N 1 2 295.343 -1.259 20 0 CAADLO Cn1[nH]c(C[NH2+]CCNC(=O)[C@H]2C[C@]23CCOC3)nc1=O ZINC001147004140 781497675 /nfs/dbraw/zinc/49/76/75/781497675.db2.gz SXULQQCVTDDIEX-RNCFNFMXSA-N 1 2 295.343 -1.259 20 0 CAADLO C[C@H]1CCN(C(=O)C(=O)NCC[NH2+]Cc2nnnn2C)C1 ZINC001147167967 781501849 /nfs/dbraw/zinc/50/18/49/781501849.db2.gz OVGNWHDBPJWWOF-VIFPVBQESA-N 1 2 295.347 -1.716 20 0 CAADLO C[C@H]1CCN(C(=O)C(=O)NCC[NH2+]Cc2ncnn2C)C1 ZINC001147173485 781502162 /nfs/dbraw/zinc/50/21/62/781502162.db2.gz CEYVOURMMGLGDB-JTQLQIEISA-N 1 2 294.359 -1.111 20 0 CAADLO C[C@@H]1CCN(C(=O)C(=O)NCC[NH2+]Cc2cnn(C)n2)C1 ZINC001147176704 781504268 /nfs/dbraw/zinc/50/42/68/781504268.db2.gz TUOHXRUIPONYSY-SNVBAGLBSA-N 1 2 294.359 -1.111 20 0 CAADLO CCCn1nnnc1C[NH2+]CCNC(=O)Cc1nc[nH]n1 ZINC001147263921 781505412 /nfs/dbraw/zinc/50/54/12/781505412.db2.gz BFKIDFKAEFWQCN-UHFFFAOYSA-N 1 2 293.335 -1.350 20 0 CAADLO Cn1nnnc1C[NH2+]CCNC(=O)Cc1nc[nH]n1 ZINC001147271375 781505841 /nfs/dbraw/zinc/50/58/41/781505841.db2.gz DADQTKDQOPHPQE-UHFFFAOYSA-N 1 2 265.281 -2.223 20 0 CAADLO O=C(C[NH2+]CCNC(=O)Cc1nnc[nH]1)Nc1ccon1 ZINC001147271507 781506490 /nfs/dbraw/zinc/50/64/90/781506490.db2.gz GQOZBFCRHAVKIS-UHFFFAOYSA-N 1 2 293.287 -1.320 20 0 CAADLO Cc1noc(C[NH2+]CCNC(=O)Cc2nc[nH]n2)n1 ZINC001147271363 781506673 /nfs/dbraw/zinc/50/66/73/781506673.db2.gz CPRXQHCZHRTWRY-UHFFFAOYSA-N 1 2 265.277 -1.055 20 0 CAADLO C[C@H](CNC(=O)[C@@H](CO)NC(N)=O)Cn1cc[nH+]c1 ZINC001147456395 781511631 /nfs/dbraw/zinc/51/16/31/781511631.db2.gz PMBRSYNWOVZDIS-RKDXNWHRSA-N 1 2 269.305 -1.335 20 0 CAADLO C[N@@H+]1CCO[C@H](CNC(=O)c2cc3n(n2)CCNC3=O)C1 ZINC001147549217 781512919 /nfs/dbraw/zinc/51/29/19/781512919.db2.gz NKMAEIACKWKJCQ-SECBINFHSA-N 1 2 293.327 -1.313 20 0 CAADLO C[N@H+]1CCO[C@H](CNC(=O)c2cc3n(n2)CCNC3=O)C1 ZINC001147549217 781512926 /nfs/dbraw/zinc/51/29/26/781512926.db2.gz NKMAEIACKWKJCQ-SECBINFHSA-N 1 2 293.327 -1.313 20 0 CAADLO C[N@@H+]1CCO[C@H](CNC(=O)c2c[nH]c(=O)cn2)C1 ZINC001147629342 781514027 /nfs/dbraw/zinc/51/40/27/781514027.db2.gz GCRKOUQSNAQVJM-MRVPVSSYSA-N 1 2 252.274 -1.170 20 0 CAADLO C[N@H+]1CCO[C@H](CNC(=O)c2c[nH]c(=O)cn2)C1 ZINC001147629342 781514030 /nfs/dbraw/zinc/51/40/30/781514030.db2.gz GCRKOUQSNAQVJM-MRVPVSSYSA-N 1 2 252.274 -1.170 20 0 CAADLO COC(=O)[C@H]1C[N@H+](C)CCN1C(=O)c1c[nH]c(=O)cn1 ZINC001147622451 781514632 /nfs/dbraw/zinc/51/46/32/781514632.db2.gz OTMYHQZPNBJYCW-SECBINFHSA-N 1 2 280.284 -1.301 20 0 CAADLO COC(=O)[C@H]1C[N@@H+](C)CCN1C(=O)c1c[nH]c(=O)cn1 ZINC001147622451 781514635 /nfs/dbraw/zinc/51/46/35/781514635.db2.gz OTMYHQZPNBJYCW-SECBINFHSA-N 1 2 280.284 -1.301 20 0 CAADLO [NH3+][C@@H]1NCN(C(=O)c2cc(=O)cco2)[C@@H]2NCN[C@@H]21 ZINC001147613131 781515078 /nfs/dbraw/zinc/51/50/78/781515078.db2.gz HUQMZRPKFMYEGO-BBBLOLIVSA-N 1 2 265.273 -2.228 20 0 CAADLO O=C(N[C@@H](CO)Cc1c[nH]c[nH+]1)c1c[nH]c(=O)cn1 ZINC001147630218 781516029 /nfs/dbraw/zinc/51/60/29/781516029.db2.gz KOVNISALBRRYMK-MRVPVSSYSA-N 1 2 263.257 -1.174 20 0 CAADLO O=C(N[C@@H](CO)Cc1c[nH+]c[nH]1)c1c[nH]c(=O)cn1 ZINC001147630218 781516035 /nfs/dbraw/zinc/51/60/35/781516035.db2.gz KOVNISALBRRYMK-MRVPVSSYSA-N 1 2 263.257 -1.174 20 0 CAADLO [NH3+][C@@H]1NCN(C(=O)c2cc(=O)cco2)[C@@H]2NCN[C@H]21 ZINC001147613129 781516075 /nfs/dbraw/zinc/51/60/75/781516075.db2.gz HUQMZRPKFMYEGO-AEJSXWLSSA-N 1 2 265.273 -2.228 20 0 CAADLO COC(=O)[C@H]1C[N@H+](C)CCN1C(=O)c1cc(=O)[nH]c(=O)[nH]1 ZINC001147696153 781518247 /nfs/dbraw/zinc/51/82/47/781518247.db2.gz OASKYNUQOAXSJD-MRVPVSSYSA-N 1 2 296.283 -1.183 20 0 CAADLO COC(=O)[C@H]1C[N@@H+](C)CCN1C(=O)c1cc(=O)[nH]c(=O)[nH]1 ZINC001147696153 781518259 /nfs/dbraw/zinc/51/82/59/781518259.db2.gz OASKYNUQOAXSJD-MRVPVSSYSA-N 1 2 296.283 -1.183 20 0 CAADLO C[N@@H+]1CCO[C@H](CNC(=O)c2cc(=O)[nH]c(=O)[nH]2)C1 ZINC001147701074 781519618 /nfs/dbraw/zinc/51/96/18/781519618.db2.gz MPGHKJNSFSBTFZ-SSDOTTSWSA-N 1 2 268.273 -1.052 20 0 CAADLO C[N@H+]1CCO[C@H](CNC(=O)c2cc(=O)[nH]c(=O)[nH]2)C1 ZINC001147701074 781519625 /nfs/dbraw/zinc/51/96/25/781519625.db2.gz MPGHKJNSFSBTFZ-SSDOTTSWSA-N 1 2 268.273 -1.052 20 0 CAADLO CC(C)(C(N)=O)C(=O)N[C@@H]1CC[N@H+](CC(N)=O)C[C@@H]1O ZINC001099888696 781520684 /nfs/dbraw/zinc/52/06/84/781520684.db2.gz YTHVPIOARGHVAA-SFYZADRCSA-N 1 2 286.332 -2.465 20 0 CAADLO CC(C)(C(N)=O)C(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C[C@@H]1O ZINC001099888696 781520690 /nfs/dbraw/zinc/52/06/90/781520690.db2.gz YTHVPIOARGHVAA-SFYZADRCSA-N 1 2 286.332 -2.465 20 0 CAADLO CNC(=O)C[NH+]1CCC(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000044503155 781524839 /nfs/dbraw/zinc/52/48/39/781524839.db2.gz IRKNIRZPPYTVBA-NXEZZACHSA-N 1 2 284.316 -1.022 20 0 CAADLO CCc1nc[nH]c1C(=O)NCC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001149448605 781530550 /nfs/dbraw/zinc/53/05/50/781530550.db2.gz VBHBOQJZAXRWDS-UHFFFAOYSA-N 1 2 293.331 -1.087 20 0 CAADLO CN(C)c1noc(C[NH2+]CCNC(=O)[C@@H]2CCC(=O)N2)n1 ZINC001148417395 781533954 /nfs/dbraw/zinc/53/39/54/781533954.db2.gz BUDYYAODDPCNRB-QMMMGPOBSA-N 1 2 296.331 -1.380 20 0 CAADLO Cc1ccc(=O)n(CC(=O)NCC[NH2+]Cc2cnon2)n1 ZINC001148557485 781536344 /nfs/dbraw/zinc/53/63/44/781536344.db2.gz PVVDCQGJJPCGIY-UHFFFAOYSA-N 1 2 292.299 -1.159 20 0 CAADLO CCC(=O)NC[C@@H]1C[N@H+](CC(=O)NC(N)=O)CCCO1 ZINC001148959474 781540503 /nfs/dbraw/zinc/54/05/03/781540503.db2.gz APAGJWXZFVCEEV-SECBINFHSA-N 1 2 286.332 -1.202 20 0 CAADLO CCC(=O)NC[C@@H]1C[N@@H+](CC(=O)NC(N)=O)CCCO1 ZINC001148959474 781540509 /nfs/dbraw/zinc/54/05/09/781540509.db2.gz APAGJWXZFVCEEV-SECBINFHSA-N 1 2 286.332 -1.202 20 0 CAADLO CC(=O)NC[C@@H]1C[N@H+](CC(=O)NC(N)=O)CCCO1 ZINC001148961727 781540668 /nfs/dbraw/zinc/54/06/68/781540668.db2.gz MOLHMYUBHTYAJC-SECBINFHSA-N 1 2 272.305 -1.592 20 0 CAADLO CC(=O)NC[C@@H]1C[N@@H+](CC(=O)NC(N)=O)CCCO1 ZINC001148961727 781540672 /nfs/dbraw/zinc/54/06/72/781540672.db2.gz MOLHMYUBHTYAJC-SECBINFHSA-N 1 2 272.305 -1.592 20 0 CAADLO COCC(=O)NC[C@H]1C[N@H+](CC(N)=O)CCCO1 ZINC001149002349 781540880 /nfs/dbraw/zinc/54/08/80/781540880.db2.gz IJQOWCSBROJEHC-VIFPVBQESA-N 1 2 259.306 -1.675 20 0 CAADLO COCC(=O)NC[C@H]1C[N@@H+](CC(N)=O)CCCO1 ZINC001149002349 781540891 /nfs/dbraw/zinc/54/08/91/781540891.db2.gz IJQOWCSBROJEHC-VIFPVBQESA-N 1 2 259.306 -1.675 20 0 CAADLO Cn1c[nH+]cc1CC(=O)NCCC(=O)NC(N)=O ZINC001148952764 781541461 /nfs/dbraw/zinc/54/14/61/781541461.db2.gz QXMZSLBDILPYIT-UHFFFAOYSA-N 1 2 253.262 -1.336 20 0 CAADLO CNC(=O)NC(=O)C[N@@H+]1CCCO[C@@H](CNC(C)=O)C1 ZINC001148962544 781541497 /nfs/dbraw/zinc/54/14/97/781541497.db2.gz SQQZNUWRNAGCPI-JTQLQIEISA-N 1 2 286.332 -1.331 20 0 CAADLO CNC(=O)NC(=O)C[N@H+]1CCCO[C@@H](CNC(C)=O)C1 ZINC001148962544 781541500 /nfs/dbraw/zinc/54/15/00/781541500.db2.gz SQQZNUWRNAGCPI-JTQLQIEISA-N 1 2 286.332 -1.331 20 0 CAADLO NC(=O)N1CCC(C(=O)N2CC[NH+](CCO)CC2)CC1 ZINC000192931334 781542432 /nfs/dbraw/zinc/54/24/32/781542432.db2.gz JSGIHNZUXWHULY-UHFFFAOYSA-N 1 2 284.360 -1.086 20 0 CAADLO Cn1nnnc1C[N@@H+]1C[C@@H]2CN(C(=O)C(N)=O)C[C@]2(C)C1 ZINC001091967982 781543732 /nfs/dbraw/zinc/54/37/32/781543732.db2.gz DMIURBWHTDFVCH-PELKAZGASA-N 1 2 293.331 -2.024 20 0 CAADLO Cn1nnnc1C[N@H+]1C[C@@H]2CN(C(=O)C(N)=O)C[C@]2(C)C1 ZINC001091967982 781543737 /nfs/dbraw/zinc/54/37/37/781543737.db2.gz DMIURBWHTDFVCH-PELKAZGASA-N 1 2 293.331 -2.024 20 0 CAADLO Cn1ncnc1C[N@@H+]1C[C@@H]2CN(C(=O)C(N)=O)C[C@]2(C)C1 ZINC001091968340 781544146 /nfs/dbraw/zinc/54/41/46/781544146.db2.gz PUMFPNBCIVBLLK-RNCFNFMXSA-N 1 2 292.343 -1.419 20 0 CAADLO Cn1ncnc1C[N@H+]1C[C@@H]2CN(C(=O)C(N)=O)C[C@]2(C)C1 ZINC001091968340 781544152 /nfs/dbraw/zinc/54/41/52/781544152.db2.gz PUMFPNBCIVBLLK-RNCFNFMXSA-N 1 2 292.343 -1.419 20 0 CAADLO Cc1nc(N2CC[C@@H](NC(=O)CC(N)=O)[C@H](O)C2)cc[nH+]1 ZINC001092134660 781546229 /nfs/dbraw/zinc/54/62/29/781546229.db2.gz OVGIPBNZHLCLKG-NXEZZACHSA-N 1 2 293.327 -1.284 20 0 CAADLO C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1CNC(=O)c1nc[nH]n1 ZINC001093064638 781550457 /nfs/dbraw/zinc/55/04/57/781550457.db2.gz STXMOXWYKMYZJF-HTQZYQBOSA-N 1 2 266.305 -1.412 20 0 CAADLO C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1CNC(=O)c1nc[nH]n1 ZINC001093064638 781550466 /nfs/dbraw/zinc/55/04/66/781550466.db2.gz STXMOXWYKMYZJF-HTQZYQBOSA-N 1 2 266.305 -1.412 20 0 CAADLO COCC1(C(=O)N[C@@H]2CC[N@H+](CC(N)=O)C[C@@H]2O)CC1 ZINC001099921068 781550523 /nfs/dbraw/zinc/55/05/23/781550523.db2.gz JTPYHLBKTQTXAX-ZJUUUORDSA-N 1 2 285.344 -1.550 20 0 CAADLO COCC1(C(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C[C@@H]2O)CC1 ZINC001099921068 781550527 /nfs/dbraw/zinc/55/05/27/781550527.db2.gz JTPYHLBKTQTXAX-ZJUUUORDSA-N 1 2 285.344 -1.550 20 0 CAADLO CC(=O)N1CC(n2cc(C[NH2+][C@H]3CCNC3=O)nn2)C1 ZINC001093295038 781551956 /nfs/dbraw/zinc/55/19/56/781551956.db2.gz OVWGYZSTOGFIIN-NSHDSACASA-N 1 2 278.316 -1.341 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)Cc3ncn[nH]3)CC[C@@H]21 ZINC001036865538 781558517 /nfs/dbraw/zinc/55/85/17/781558517.db2.gz OVCAZWIJAUCTSA-ZJUUUORDSA-N 1 2 292.343 -1.245 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)Cc3ncn[nH]3)CC[C@@H]21 ZINC001036865538 781558526 /nfs/dbraw/zinc/55/85/26/781558526.db2.gz OVCAZWIJAUCTSA-ZJUUUORDSA-N 1 2 292.343 -1.245 20 0 CAADLO O=C(Cn1cc[nH+]c1)NCCNc1nccn2nnnc12 ZINC001093701646 781558608 /nfs/dbraw/zinc/55/86/08/781558608.db2.gz GFKVANPHVVCSQD-UHFFFAOYSA-N 1 2 287.287 -1.056 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H]2CN(C(=O)Cc3ncn[nH]3)CC[C@H]21 ZINC001036865537 781559019 /nfs/dbraw/zinc/55/90/19/781559019.db2.gz OVCAZWIJAUCTSA-VHSXEESVSA-N 1 2 292.343 -1.245 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H]2CN(C(=O)Cc3ncn[nH]3)CC[C@H]21 ZINC001036865537 781559023 /nfs/dbraw/zinc/55/90/23/781559023.db2.gz OVCAZWIJAUCTSA-VHSXEESVSA-N 1 2 292.343 -1.245 20 0 CAADLO Cc1nc(NCCNC(=O)CN2CC(=O)NC2=O)cc[nH+]1 ZINC001093803889 781560250 /nfs/dbraw/zinc/56/02/50/781560250.db2.gz WRRMSCQPJMKALS-UHFFFAOYSA-N 1 2 292.299 -1.135 20 0 CAADLO O=C(NCc1cn(C2C[NH+](CCO)C2)nn1)[C@H]1CCOC1 ZINC001094279741 781563664 /nfs/dbraw/zinc/56/36/64/781563664.db2.gz RHYNNARXIBJSTG-JTQLQIEISA-N 1 2 295.343 -1.220 20 0 CAADLO O=C(NCc1cn(C2C[NH+](CCO)C2)nn1)[C@@H]1CCCO1 ZINC001094273203 781563992 /nfs/dbraw/zinc/56/39/92/781563992.db2.gz LUPHOQRILRFWJW-LBPRGKRZSA-N 1 2 295.343 -1.078 20 0 CAADLO O=C(N[C@@H]1CC(=O)N(C2C[NH+](CCO)C2)C1)[C@@H]1CCOC1 ZINC001094714140 781567250 /nfs/dbraw/zinc/56/72/50/781567250.db2.gz QLPOQNPLZOFRBO-GHMZBOCLSA-N 1 2 297.355 -1.584 20 0 CAADLO CCC(=O)N[C@@H]1CC(=O)N(C2C[NH+](CCO)C2)C1 ZINC001094686065 781567283 /nfs/dbraw/zinc/56/72/83/781567283.db2.gz FLVWKRHGNZOXIU-SECBINFHSA-N 1 2 255.318 -1.210 20 0 CAADLO O=C(N[C@@H]1CC(=O)N(C2C[NH+](CCO)C2)C1)[C@H]1CCOC1 ZINC001094714143 781567422 /nfs/dbraw/zinc/56/74/22/781567422.db2.gz QLPOQNPLZOFRBO-WDEREUQCSA-N 1 2 297.355 -1.584 20 0 CAADLO CC(=O)N[C@H]1CC(=O)N(C2C[NH+](CCn3cncn3)C2)C1 ZINC001094689355 781568177 /nfs/dbraw/zinc/56/81/77/781568177.db2.gz LPNDXAUPUAKCIR-NSHDSACASA-N 1 2 292.343 -1.301 20 0 CAADLO O=C(N[C@H]1CC(=O)N(C2C[NH+](CCO)C2)C1)c1ncc[nH]1 ZINC001094734183 781568481 /nfs/dbraw/zinc/56/84/81/781568481.db2.gz RURCLWVJUIBWLC-VIFPVBQESA-N 1 2 293.327 -1.583 20 0 CAADLO O=C(N[C@H]1CC(=O)N(C2C[NH+](CCO)C2)C1)[C@H]1CCCO1 ZINC001094700302 781568531 /nfs/dbraw/zinc/56/85/31/781568531.db2.gz DPONUIUKAVCASB-CMPLNLGQSA-N 1 2 297.355 -1.441 20 0 CAADLO O=C(N[C@H]1CC(=O)N(C2C[NH+](CCO)C2)C1)C(F)F ZINC001094693507 781568550 /nfs/dbraw/zinc/56/85/50/781568550.db2.gz XFXZJZSMLRNEPL-ZETCQYMHSA-N 1 2 277.271 -1.355 20 0 CAADLO Cn1ncc2c1nc[nH+]c2NCCCNC(=O)C(N)=O ZINC001094742347 781568616 /nfs/dbraw/zinc/56/86/16/781568616.db2.gz UCJQZOAQOQRDOV-UHFFFAOYSA-N 1 2 277.288 -1.233 20 0 CAADLO O=C(N[C@@H]1CC(=O)N(C2C[NH+](CCO)C2)C1)[C@@H]1CCCO1 ZINC001094700527 781568693 /nfs/dbraw/zinc/56/86/93/781568693.db2.gz DPONUIUKAVCASB-PWSUYJOCSA-N 1 2 297.355 -1.441 20 0 CAADLO O=C(N[C@H]1CC(=O)N(C2C[NH+](CCO)C2)C1)[C@@H]1CCCO1 ZINC001094700305 781568715 /nfs/dbraw/zinc/56/87/15/781568715.db2.gz DPONUIUKAVCASB-JQWIXIFHSA-N 1 2 297.355 -1.441 20 0 CAADLO O=C(N[C@@H]1CC(=O)N(C2C[NH+](CCO)C2)C1)c1cnon1 ZINC001094799604 781569012 /nfs/dbraw/zinc/56/90/12/781569012.db2.gz MKQHRJAFSYHOFU-MRVPVSSYSA-N 1 2 295.299 -1.923 20 0 CAADLO CC(C)=CC[NH+]1CC(N2C[C@@H](NC(=O)C(N)=O)CC2=O)C1 ZINC001094778507 781569443 /nfs/dbraw/zinc/56/94/43/781569443.db2.gz DKFFBFNVHUTDTR-JTQLQIEISA-N 1 2 294.355 -1.161 20 0 CAADLO CC[NH+]1CC(N2C[C@H](NC(=O)c3cn[nH]n3)CC2=O)C1 ZINC001094756671 781569828 /nfs/dbraw/zinc/56/98/28/781569828.db2.gz LNOXWPKPYFMZBF-MRVPVSSYSA-N 1 2 278.316 -1.161 20 0 CAADLO CC[NH+]1CC(N2C[C@H](NC(=O)c3cnn[nH]3)CC2=O)C1 ZINC001094756671 781569838 /nfs/dbraw/zinc/56/98/38/781569838.db2.gz LNOXWPKPYFMZBF-MRVPVSSYSA-N 1 2 278.316 -1.161 20 0 CAADLO CC[NH+]1CC(N2C[C@@H](NC(=O)c3nnc[nH]3)CC2=O)C1 ZINC001094797876 781570078 /nfs/dbraw/zinc/57/00/78/781570078.db2.gz RFHZNFGPUAFIRX-QMMMGPOBSA-N 1 2 278.316 -1.161 20 0 CAADLO CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cnco2)[C@H](O)C1 ZINC001099937397 781574351 /nfs/dbraw/zinc/57/43/51/781574351.db2.gz KRRBTDQOVUKFMK-VHSXEESVSA-N 1 2 296.327 -1.024 20 0 CAADLO CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cnco2)[C@H](O)C1 ZINC001099937397 781574356 /nfs/dbraw/zinc/57/43/56/781574356.db2.gz KRRBTDQOVUKFMK-VHSXEESVSA-N 1 2 296.327 -1.024 20 0 CAADLO CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cnco2)[C@@H](O)C1 ZINC001099937399 781574608 /nfs/dbraw/zinc/57/46/08/781574608.db2.gz KRRBTDQOVUKFMK-ZJUUUORDSA-N 1 2 296.327 -1.024 20 0 CAADLO CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cnco2)[C@@H](O)C1 ZINC001099937399 781574614 /nfs/dbraw/zinc/57/46/14/781574614.db2.gz KRRBTDQOVUKFMK-ZJUUUORDSA-N 1 2 296.327 -1.024 20 0 CAADLO NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1cnnn1)C2 ZINC001095157890 781579936 /nfs/dbraw/zinc/57/99/36/781579936.db2.gz BCJUCKGTSZQEPZ-VGMNWLOBSA-N 1 2 279.304 -2.120 20 0 CAADLO NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1cnnn1)C2 ZINC001095157890 781579939 /nfs/dbraw/zinc/57/99/39/781579939.db2.gz BCJUCKGTSZQEPZ-VGMNWLOBSA-N 1 2 279.304 -2.120 20 0 CAADLO CNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1COCCO1)C2 ZINC001095191300 781579959 /nfs/dbraw/zinc/57/99/59/781579959.db2.gz BLGUHZPCYCCQTM-NOOOWODRSA-N 1 2 297.355 -1.131 20 0 CAADLO CNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1COCCO1)C2 ZINC001095191300 781579963 /nfs/dbraw/zinc/57/99/63/781579963.db2.gz BLGUHZPCYCCQTM-NOOOWODRSA-N 1 2 297.355 -1.131 20 0 CAADLO CNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC(=O)N1)C2 ZINC001095239780 781580698 /nfs/dbraw/zinc/58/06/98/781580698.db2.gz JWDSVYDEEKWDFO-ZNSHCXBVSA-N 1 2 294.355 -1.268 20 0 CAADLO CNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC(=O)N1)C2 ZINC001095239780 781580709 /nfs/dbraw/zinc/58/07/09/781580709.db2.gz JWDSVYDEEKWDFO-ZNSHCXBVSA-N 1 2 294.355 -1.268 20 0 CAADLO NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1COCCO1)C2 ZINC001095192705 781580922 /nfs/dbraw/zinc/58/09/22/781580922.db2.gz RPEMTXRTCGIFKS-VPOLOUISSA-N 1 2 283.328 -1.391 20 0 CAADLO NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1COCCO1)C2 ZINC001095192705 781580931 /nfs/dbraw/zinc/58/09/31/781580931.db2.gz RPEMTXRTCGIFKS-VPOLOUISSA-N 1 2 283.328 -1.391 20 0 CAADLO C[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CC(N)=O)C1 ZINC001095266734 781583341 /nfs/dbraw/zinc/58/33/41/781583341.db2.gz DGZXHIUVEWADEX-RHYQMDGZSA-N 1 2 296.371 -1.476 20 0 CAADLO C[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CC(N)=O)C1 ZINC001095266734 781583348 /nfs/dbraw/zinc/58/33/48/781583348.db2.gz DGZXHIUVEWADEX-RHYQMDGZSA-N 1 2 296.371 -1.476 20 0 CAADLO COCc1noc(C[NH2+]CCNC(=O)Cn2cncn2)n1 ZINC001150260076 781583440 /nfs/dbraw/zinc/58/34/40/781583440.db2.gz BMYKJGPJFTXHBQ-UHFFFAOYSA-N 1 2 295.303 -1.287 20 0 CAADLO Cn1[nH]c(C[NH2+]CCNC(=O)CCNC(N)=O)nc1=O ZINC001150423834 781586418 /nfs/dbraw/zinc/58/64/18/781586418.db2.gz KOEKBBQSOPUQDB-UHFFFAOYSA-N 1 2 285.308 -2.627 20 0 CAADLO O=C(N[C@H](CO)Cc1c[nH]c[nH+]1)[C@H]1CCOC(=O)N1 ZINC001174950841 781586966 /nfs/dbraw/zinc/58/69/66/781586966.db2.gz SKFLNPRHRVOELT-DTWKUNHWSA-N 1 2 268.273 -1.072 20 0 CAADLO O=C(N[C@H](CO)Cc1c[nH+]c[nH]1)[C@H]1CCOC(=O)N1 ZINC001174950841 781586967 /nfs/dbraw/zinc/58/69/67/781586967.db2.gz SKFLNPRHRVOELT-DTWKUNHWSA-N 1 2 268.273 -1.072 20 0 CAADLO CN1C[C@H](C(=O)N[C@H](CO)Cc2c[nH]c[nH+]2)NC1=O ZINC001174950861 781587078 /nfs/dbraw/zinc/58/70/78/781587078.db2.gz SZYWWJAVKKCKJL-DTWKUNHWSA-N 1 2 267.289 -1.547 20 0 CAADLO CN1C[C@H](C(=O)N[C@H](CO)Cc2c[nH+]c[nH]2)NC1=O ZINC001174950861 781587081 /nfs/dbraw/zinc/58/70/81/781587081.db2.gz SZYWWJAVKKCKJL-DTWKUNHWSA-N 1 2 267.289 -1.547 20 0 CAADLO C[N@@H+]1CCCn2nc(C(=O)NCC(N)=O)cc2C1 ZINC001175035927 781590347 /nfs/dbraw/zinc/59/03/47/781590347.db2.gz MWELFFGCPZUWSO-UHFFFAOYSA-N 1 2 251.290 -1.066 20 0 CAADLO C[N@H+]1CCCn2nc(C(=O)NCC(N)=O)cc2C1 ZINC001175035927 781590355 /nfs/dbraw/zinc/59/03/55/781590355.db2.gz MWELFFGCPZUWSO-UHFFFAOYSA-N 1 2 251.290 -1.066 20 0 CAADLO NC(=O)C[N@@H+]1CCCO[C@@H](CNC(=O)Cc2ncc[nH]2)C1 ZINC001150507166 781591281 /nfs/dbraw/zinc/59/12/81/781591281.db2.gz DFPIHNDHXCRUGZ-JTQLQIEISA-N 1 2 295.343 -1.355 20 0 CAADLO NC(=O)C[N@H+]1CCCO[C@@H](CNC(=O)Cc2ncc[nH]2)C1 ZINC001150507166 781591289 /nfs/dbraw/zinc/59/12/89/781591289.db2.gz DFPIHNDHXCRUGZ-JTQLQIEISA-N 1 2 295.343 -1.355 20 0 CAADLO Cn1nnc(C[NH2+]CCCNC(=O)CCNC(N)=O)n1 ZINC001175567087 781593405 /nfs/dbraw/zinc/59/34/05/781593405.db2.gz JCLOQNGSKGODQX-UHFFFAOYSA-N 1 2 284.324 -2.136 20 0 CAADLO Cn1ccc(C(=O)NCCC[NH2+]Cc2nnn(C)n2)n1 ZINC001176081082 781597115 /nfs/dbraw/zinc/59/71/15/781597115.db2.gz NNZQORDZFICFFR-UHFFFAOYSA-N 1 2 278.320 -1.147 20 0 CAADLO CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N=c1nc[nH]n1C ZINC001176335925 781600724 /nfs/dbraw/zinc/60/07/24/781600724.db2.gz ZCEBBDIXCIBGEY-SECBINFHSA-N 1 2 277.288 -1.354 20 0 CAADLO CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N=c1nc[nH]n1C ZINC001176335925 781600730 /nfs/dbraw/zinc/60/07/30/781600730.db2.gz ZCEBBDIXCIBGEY-SECBINFHSA-N 1 2 277.288 -1.354 20 0 CAADLO C=CC(=O)NCCNC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(C)=O ZINC001176379519 781601171 /nfs/dbraw/zinc/60/11/71/781601171.db2.gz BJZHQOHEAGHKFQ-LLVKDONJSA-N 1 2 293.327 -1.125 20 0 CAADLO C=CC(=O)NCCNC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(C)=O ZINC001176379519 781601178 /nfs/dbraw/zinc/60/11/78/781601178.db2.gz BJZHQOHEAGHKFQ-LLVKDONJSA-N 1 2 293.327 -1.125 20 0 CAADLO CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)NC1(CCO)COC1 ZINC001176379708 781601493 /nfs/dbraw/zinc/60/14/93/781601493.db2.gz FUEKSCZFCPZHSY-LLVKDONJSA-N 1 2 296.327 -1.276 20 0 CAADLO CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)NC1(CCO)COC1 ZINC001176379708 781601502 /nfs/dbraw/zinc/60/15/02/781601502.db2.gz FUEKSCZFCPZHSY-LLVKDONJSA-N 1 2 296.327 -1.276 20 0 CAADLO Cn1ccn2c(CNC(=O)Cn3cc[nH+]c3)nnc2c1=O ZINC001176457647 781602145 /nfs/dbraw/zinc/60/21/45/781602145.db2.gz VLXHKMXTLZRTAY-UHFFFAOYSA-N 1 2 287.283 -1.059 20 0 CAADLO CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@H](O)CF ZINC001176397854 781602564 /nfs/dbraw/zinc/60/25/64/781602564.db2.gz CPTFVJQPKKCAQA-VHSXEESVSA-N 1 2 272.280 -1.097 20 0 CAADLO CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H](O)CF ZINC001176397854 781602568 /nfs/dbraw/zinc/60/25/68/781602568.db2.gz CPTFVJQPKKCAQA-VHSXEESVSA-N 1 2 272.280 -1.097 20 0 CAADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C(C)(C)C(N)=O ZINC001176602767 781603861 /nfs/dbraw/zinc/60/38/61/781603861.db2.gz USJAIMATEBBFIG-QMMMGPOBSA-N 1 2 281.316 -1.306 20 0 CAADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C(C)(C)C(N)=O ZINC001176602767 781603866 /nfs/dbraw/zinc/60/38/66/781603866.db2.gz USJAIMATEBBFIG-QMMMGPOBSA-N 1 2 281.316 -1.306 20 0 CAADLO COC(=O)CC[C@H](NC(=O)Cc1c[nH]c[nH+]1)C(N)=O ZINC001176836478 781605724 /nfs/dbraw/zinc/60/57/24/781605724.db2.gz PTHDBBBWZHZUIL-QMMMGPOBSA-N 1 2 268.273 -1.125 20 0 CAADLO O=C(CCn1cc[nH+]c1)NC[C@@H]1CNC(=O)CO1 ZINC001176883157 781607662 /nfs/dbraw/zinc/60/76/62/781607662.db2.gz DHXAQCHCDALECQ-SECBINFHSA-N 1 2 252.274 -1.096 20 0 CAADLO O=C(CCn1cc[nH+]c1)N1CC(N2CCNC(=O)C2)C1 ZINC001176878020 781608220 /nfs/dbraw/zinc/60/82/20/781608220.db2.gz UOYHEQVXTDNGKJ-UHFFFAOYSA-N 1 2 277.328 -1.084 20 0 CAADLO COC(=O)CNC(=O)CNC(=O)CCn1cc[nH+]c1 ZINC001176883730 781608291 /nfs/dbraw/zinc/60/82/91/781608291.db2.gz LWBNIAQYUUTKOD-UHFFFAOYSA-N 1 2 268.273 -1.321 20 0 CAADLO NC(=O)NCC(=O)N1CC[C@H]2OCC[N@H+](CCO)[C@H]2C1 ZINC001176906812 781611641 /nfs/dbraw/zinc/61/16/41/781611641.db2.gz MISCHGNUWVCQHV-VHSXEESVSA-N 1 2 286.332 -2.051 20 0 CAADLO NC(=O)NCC(=O)N1CC[C@H]2OCC[N@@H+](CCO)[C@H]2C1 ZINC001176906812 781611646 /nfs/dbraw/zinc/61/16/46/781611646.db2.gz MISCHGNUWVCQHV-VHSXEESVSA-N 1 2 286.332 -2.051 20 0 CAADLO CCNC(=O)CC(=O)N1CC[C@@H]2OCC[N@H+](CCO)[C@H]2C1 ZINC001176992864 781612579 /nfs/dbraw/zinc/61/25/79/781612579.db2.gz BITHXKWNEXNKGK-RYUDHWBXSA-N 1 2 299.371 -1.193 20 0 CAADLO CCNC(=O)CC(=O)N1CC[C@@H]2OCC[N@@H+](CCO)[C@H]2C1 ZINC001176992864 781612583 /nfs/dbraw/zinc/61/25/83/781612583.db2.gz BITHXKWNEXNKGK-RYUDHWBXSA-N 1 2 299.371 -1.193 20 0 CAADLO CCNC(=O)CC(=O)N1CC[C@H]2OCC[N@H+](CCO)[C@@H]2C1 ZINC001176992865 781612827 /nfs/dbraw/zinc/61/28/27/781612827.db2.gz BITHXKWNEXNKGK-VXGBXAGGSA-N 1 2 299.371 -1.193 20 0 CAADLO CCNC(=O)CC(=O)N1CC[C@H]2OCC[N@@H+](CCO)[C@@H]2C1 ZINC001176992865 781612832 /nfs/dbraw/zinc/61/28/32/781612832.db2.gz BITHXKWNEXNKGK-VXGBXAGGSA-N 1 2 299.371 -1.193 20 0 CAADLO CNC(=O)CC(=O)N1CC[C@H]2OCC[N@H+](CCCO)[C@H]2C1 ZINC001176993575 781613119 /nfs/dbraw/zinc/61/31/19/781613119.db2.gz GUNRCTBFQNIGNX-NWDGAFQWSA-N 1 2 299.371 -1.193 20 0 CAADLO CNC(=O)CC(=O)N1CC[C@H]2OCC[N@@H+](CCCO)[C@H]2C1 ZINC001176993575 781613120 /nfs/dbraw/zinc/61/31/20/781613120.db2.gz GUNRCTBFQNIGNX-NWDGAFQWSA-N 1 2 299.371 -1.193 20 0 CAADLO CNC(=O)CC(=O)N1CC[C@@H]2OCC[N@H+](CCO)[C@@H]2C1 ZINC001176994833 781613325 /nfs/dbraw/zinc/61/33/25/781613325.db2.gz PYQGEUDMPVTDDB-MNOVXSKESA-N 1 2 285.344 -1.584 20 0 CAADLO CNC(=O)CC(=O)N1CC[C@@H]2OCC[N@@H+](CCO)[C@@H]2C1 ZINC001176994833 781613330 /nfs/dbraw/zinc/61/33/30/781613330.db2.gz PYQGEUDMPVTDDB-MNOVXSKESA-N 1 2 285.344 -1.584 20 0 CAADLO COCCC[N@@H+]1CCO[C@H]2CCN(C(=O)C(N)=O)C[C@@H]21 ZINC001177072516 781614727 /nfs/dbraw/zinc/61/47/27/781614727.db2.gz HTMUBJVHIKYOFP-QWRGUYRKSA-N 1 2 285.344 -1.190 20 0 CAADLO COCCC[N@H+]1CCO[C@H]2CCN(C(=O)C(N)=O)C[C@@H]21 ZINC001177072516 781614730 /nfs/dbraw/zinc/61/47/30/781614730.db2.gz HTMUBJVHIKYOFP-QWRGUYRKSA-N 1 2 285.344 -1.190 20 0 CAADLO CN(C)C(=O)CC(=O)N1CC[C@H]2OCC[N@H+](CCO)[C@@H]2C1 ZINC001177107059 781615800 /nfs/dbraw/zinc/61/58/00/781615800.db2.gz MCSVJVJZFPPCCA-VXGBXAGGSA-N 1 2 299.371 -1.241 20 0 CAADLO CN(C)C(=O)CC(=O)N1CC[C@H]2OCC[N@@H+](CCO)[C@@H]2C1 ZINC001177107059 781615802 /nfs/dbraw/zinc/61/58/02/781615802.db2.gz MCSVJVJZFPPCCA-VXGBXAGGSA-N 1 2 299.371 -1.241 20 0 CAADLO CN(CC(=O)NC(CO)(CO)CO)c1cccc[nH+]1 ZINC001177413329 781618800 /nfs/dbraw/zinc/61/88/00/781618800.db2.gz BPCJMVORRRLMIS-UHFFFAOYSA-N 1 2 269.301 -1.650 20 0 CAADLO COC(=O)CNC(=O)CNC(=O)CN(C)c1cccc[nH+]1 ZINC001177416411 781619639 /nfs/dbraw/zinc/61/96/39/781619639.db2.gz BBRJQBDSBITEAW-UHFFFAOYSA-N 1 2 294.311 -1.077 20 0 CAADLO COC(=O)[C@H]1C[N@H+](C)CCN1C(=O)Cc1nnc(C)[nH]1 ZINC001177436672 781620716 /nfs/dbraw/zinc/62/07/16/781620716.db2.gz FKMKGDYZRXEBHB-SECBINFHSA-N 1 2 281.316 -1.029 20 0 CAADLO COC(=O)[C@H]1C[N@@H+](C)CCN1C(=O)Cc1nnc(C)[nH]1 ZINC001177436672 781620721 /nfs/dbraw/zinc/62/07/21/781620721.db2.gz FKMKGDYZRXEBHB-SECBINFHSA-N 1 2 281.316 -1.029 20 0 CAADLO CCNS(=O)(=O)CC[NH2+]Cc1cn(CC(N)=O)nn1 ZINC001177664444 781623205 /nfs/dbraw/zinc/62/32/05/781623205.db2.gz RNWLRSYTVFPYNX-UHFFFAOYSA-N 1 2 290.349 -2.208 20 0 CAADLO C[C@@H](O)C(=O)N1CCC[N@H+](CC(=O)N(C)C)CC1 ZINC001177735345 781624711 /nfs/dbraw/zinc/62/47/11/781624711.db2.gz GAYGMCNJCGBUOC-SNVBAGLBSA-N 1 2 257.334 -1.010 20 0 CAADLO C[C@@H](O)C(=O)N1CCC[N@@H+](CC(=O)N(C)C)CC1 ZINC001177735345 781624718 /nfs/dbraw/zinc/62/47/18/781624718.db2.gz GAYGMCNJCGBUOC-SNVBAGLBSA-N 1 2 257.334 -1.010 20 0 CAADLO COC(=O)CNC(=O)CNC(=O)CCc1[nH]cc[nH+]1 ZINC001177997978 781627660 /nfs/dbraw/zinc/62/76/60/781627660.db2.gz IVXUZOHXLBTYGV-UHFFFAOYSA-N 1 2 268.273 -1.252 20 0 CAADLO O=C(CCc1[nH]cc[nH+]1)N[C@@H]1C[C@H](CO)[C@@H](O)[C@H]1O ZINC001177998760 781628122 /nfs/dbraw/zinc/62/81/22/781628122.db2.gz ZSYSVYDFSMNLTM-VNOQCFOKSA-N 1 2 269.301 -1.439 20 0 CAADLO NC(=O)[C@@H](CO)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001178118662 781630008 /nfs/dbraw/zinc/63/00/08/781630008.db2.gz CTDFNCZJDXFBJA-JGVFFNPUSA-N 1 2 252.274 -1.592 20 0 CAADLO O=C(NC(CO)(CO)CO)[C@@H]1CCc2[nH+]ccn2C1 ZINC001178119558 781630041 /nfs/dbraw/zinc/63/00/41/781630041.db2.gz SCNCBFZMVDONNA-SECBINFHSA-N 1 2 269.301 -1.723 20 0 CAADLO O=C(N[C@@H]1C[C@H](CO)[C@@H](O)[C@H]1O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001178119804 781630130 /nfs/dbraw/zinc/63/01/30/781630130.db2.gz WPTVOFOQPGCVFN-NPNZPCOPSA-N 1 2 295.339 -1.336 20 0 CAADLO C[C@H]1[C@@H]([NH2+]Cc2nnn(C)n2)CCN1C(=O)CNC(N)=O ZINC001178093022 781631609 /nfs/dbraw/zinc/63/16/09/781631609.db2.gz BOBZXMLBXUIUFX-YUMQZZPRSA-N 1 2 296.335 -2.043 20 0 CAADLO CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC(N)=O ZINC001110219801 781633746 /nfs/dbraw/zinc/63/37/46/781633746.db2.gz AJFWZUVHNXQHLE-HLTSFMKQSA-N 1 2 254.290 -1.077 20 0 CAADLO CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC(N)=O ZINC001110219801 781633750 /nfs/dbraw/zinc/63/37/50/781633750.db2.gz AJFWZUVHNXQHLE-HLTSFMKQSA-N 1 2 254.290 -1.077 20 0 CAADLO CNC(=O)CC(=O)N1CC[C@H]([NH2+]Cc2nnn(C)n2)[C@@H]1C ZINC001178541518 781636089 /nfs/dbraw/zinc/63/60/89/781636089.db2.gz OQNXZECTGASGGO-IUCAKERBSA-N 1 2 295.347 -1.575 20 0 CAADLO NC(=O)CN1CCCO[C@@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001150824242 781639067 /nfs/dbraw/zinc/63/90/67/781639067.db2.gz JBRASMGURVGERO-NSHDSACASA-N 1 2 295.343 -1.425 20 0 CAADLO C[NH+]1CCN(CC(=O)n2cc(N)c(=O)nc2N)CC1 ZINC001178955773 781643996 /nfs/dbraw/zinc/64/39/96/781643996.db2.gz ASKTWUCJNWOGRD-UHFFFAOYSA-N 1 2 266.305 -1.462 20 0 CAADLO COCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC(N)=O ZINC001110229590 781646970 /nfs/dbraw/zinc/64/69/70/781646970.db2.gz IPRHKPXEZLFUNP-BBBLOLIVSA-N 1 2 298.343 -1.061 20 0 CAADLO COCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC(N)=O ZINC001110229590 781646975 /nfs/dbraw/zinc/64/69/75/781646975.db2.gz IPRHKPXEZLFUNP-BBBLOLIVSA-N 1 2 298.343 -1.061 20 0 CAADLO CCn1cc(C[NH2+]C[C@@H](O)CS(C)(=O)=O)nn1 ZINC001179699526 781650453 /nfs/dbraw/zinc/65/04/53/781650453.db2.gz AICFUNASQHGICK-SECBINFHSA-N 1 2 262.335 -1.207 20 0 CAADLO COC(=O)[C@@H]1C[N@H+](C)CCN1C(=O)Cc1nc(N)n[nH]1 ZINC001180247602 781657184 /nfs/dbraw/zinc/65/71/84/781657184.db2.gz ZVYIHJZCXDXTGB-ZETCQYMHSA-N 1 2 282.304 -1.755 20 0 CAADLO COC(=O)[C@@H]1C[N@@H+](C)CCN1C(=O)Cc1nc(N)n[nH]1 ZINC001180247602 781657187 /nfs/dbraw/zinc/65/71/87/781657187.db2.gz ZVYIHJZCXDXTGB-ZETCQYMHSA-N 1 2 282.304 -1.755 20 0 CAADLO COC(=O)[C@H]1C[N@H+](C)CCN1C(=O)Cc1nc(N)n[nH]1 ZINC001180247601 781657398 /nfs/dbraw/zinc/65/73/98/781657398.db2.gz ZVYIHJZCXDXTGB-SSDOTTSWSA-N 1 2 282.304 -1.755 20 0 CAADLO COC(=O)[C@H]1C[N@@H+](C)CCN1C(=O)Cc1nc(N)n[nH]1 ZINC001180247601 781657400 /nfs/dbraw/zinc/65/74/00/781657400.db2.gz ZVYIHJZCXDXTGB-SSDOTTSWSA-N 1 2 282.304 -1.755 20 0 CAADLO C[C@H]1COCC[N@@H+]1CCNC(=O)Cc1nc(N)n[nH]1 ZINC001180252306 781658217 /nfs/dbraw/zinc/65/82/17/781658217.db2.gz YBXIEKAKFLSBKO-QMMMGPOBSA-N 1 2 268.321 -1.234 20 0 CAADLO C[C@H]1COCC[N@H+]1CCNC(=O)Cc1nc(N)n[nH]1 ZINC001180252306 781658228 /nfs/dbraw/zinc/65/82/28/781658228.db2.gz YBXIEKAKFLSBKO-QMMMGPOBSA-N 1 2 268.321 -1.234 20 0 CAADLO O=C(CN1C(=O)CNC1=O)NCCn1cc[nH+]c1 ZINC001180381601 781661524 /nfs/dbraw/zinc/66/15/24/781661524.db2.gz LMCJCHREHXRBOY-UHFFFAOYSA-N 1 2 251.246 -1.449 20 0 CAADLO COC(=O)[C@H]1C[N@H+](C)CCN1C(=O)CN1C(=O)CNC1=O ZINC001180384426 781662140 /nfs/dbraw/zinc/66/21/40/781662140.db2.gz KYIUVXQVCKOMGZ-MRVPVSSYSA-N 1 2 298.299 -2.146 20 0 CAADLO COC(=O)[C@H]1C[N@@H+](C)CCN1C(=O)CN1C(=O)CNC1=O ZINC001180384426 781662144 /nfs/dbraw/zinc/66/21/44/781662144.db2.gz KYIUVXQVCKOMGZ-MRVPVSSYSA-N 1 2 298.299 -2.146 20 0 CAADLO Cn1c[nH+]c(CCNC(=O)CN2C(=O)CNC2=O)c1 ZINC001180384986 781663681 /nfs/dbraw/zinc/66/36/81/781663681.db2.gz MAOJXIOFOYVIPW-UHFFFAOYSA-N 1 2 265.273 -1.369 20 0 CAADLO Cn1cc[nH+]c1CCNC(=O)CN1C(=O)CNC1=O ZINC001180388374 781664548 /nfs/dbraw/zinc/66/45/48/781664548.db2.gz POZUABMNAIIPSH-UHFFFAOYSA-N 1 2 265.273 -1.369 20 0 CAADLO COC(=O)[C@H]1C[N@H+](C)CCN1C(=O)C1=NN(C)C(=O)CC1 ZINC001180443499 781665101 /nfs/dbraw/zinc/66/51/01/781665101.db2.gz MHRHLXGNZIHAKH-SNVBAGLBSA-N 1 2 296.327 -1.090 20 0 CAADLO COC(=O)[C@H]1C[N@@H+](C)CCN1C(=O)C1=NN(C)C(=O)CC1 ZINC001180443499 781665107 /nfs/dbraw/zinc/66/51/07/781665107.db2.gz MHRHLXGNZIHAKH-SNVBAGLBSA-N 1 2 296.327 -1.090 20 0 CAADLO O=C(CN1CCS(=O)(=O)CC1)NCCn1cc[nH+]c1 ZINC001180591501 781669638 /nfs/dbraw/zinc/66/96/38/781669638.db2.gz TYSCSLRUEWNCJW-UHFFFAOYSA-N 1 2 286.357 -1.270 20 0 CAADLO O=C(CN1CCS(=O)(=O)CC1)N1CC[N@@H+]2CC[C@H]2C1 ZINC001180595277 781669778 /nfs/dbraw/zinc/66/97/78/781669778.db2.gz VASZBHHSGQOMKV-NSHDSACASA-N 1 2 287.385 -1.367 20 0 CAADLO O=C(CN1CCS(=O)(=O)CC1)N1CC[N@H+]2CC[C@H]2C1 ZINC001180595277 781669782 /nfs/dbraw/zinc/66/97/82/781669782.db2.gz VASZBHHSGQOMKV-NSHDSACASA-N 1 2 287.385 -1.367 20 0 CAADLO C[NH+](C)C1(C)CN(C(=O)CN2CCS(=O)(=O)CC2)C1 ZINC001180592468 781670008 /nfs/dbraw/zinc/67/00/08/781670008.db2.gz DOEMXHZKYXRXKE-UHFFFAOYSA-N 1 2 289.401 -1.121 20 0 CAADLO CC(=O)NCC(=O)N1CC[C@@H]([NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001180708004 781674154 /nfs/dbraw/zinc/67/41/54/781674154.db2.gz VPAJTVKPVSUEGG-SECBINFHSA-N 1 2 296.331 -2.065 20 0 CAADLO C[N@@H+]1CCO[C@@H](C(=O)Nc2nccnc2C(N)=O)C1 ZINC001180755819 781674683 /nfs/dbraw/zinc/67/46/83/781674683.db2.gz CTFCZIRWVGTWKL-SSDOTTSWSA-N 1 2 265.273 -1.155 20 0 CAADLO C[N@H+]1CCO[C@@H](C(=O)Nc2nccnc2C(N)=O)C1 ZINC001180755819 781674692 /nfs/dbraw/zinc/67/46/92/781674692.db2.gz CTFCZIRWVGTWKL-SSDOTTSWSA-N 1 2 265.273 -1.155 20 0 CAADLO C[N@@H+]1CCO[C@@H](C(=O)Nc2c[nH]nc2C(N)=O)C1 ZINC001180755283 781674851 /nfs/dbraw/zinc/67/48/51/781674851.db2.gz CUBWXMMZBIAOIA-SSDOTTSWSA-N 1 2 253.262 -1.222 20 0 CAADLO C[N@H+]1CCO[C@@H](C(=O)Nc2c[nH]nc2C(N)=O)C1 ZINC001180755283 781674856 /nfs/dbraw/zinc/67/48/56/781674856.db2.gz CUBWXMMZBIAOIA-SSDOTTSWSA-N 1 2 253.262 -1.222 20 0 CAADLO COC(=O)[C@H]1CN(C)CCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001180760515 781676992 /nfs/dbraw/zinc/67/69/92/781676992.db2.gz VOFQGCOICWQVIJ-MNOVXSKESA-N 1 2 285.344 -1.367 20 0 CAADLO COC(=O)[C@H]1CN(C)CCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001180760515 781677001 /nfs/dbraw/zinc/67/70/01/781677001.db2.gz VOFQGCOICWQVIJ-MNOVXSKESA-N 1 2 285.344 -1.367 20 0 CAADLO COC(=O)[C@H]1CN(C)CCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001180760514 781677474 /nfs/dbraw/zinc/67/74/74/781677474.db2.gz VOFQGCOICWQVIJ-GHMZBOCLSA-N 1 2 285.344 -1.367 20 0 CAADLO COC(=O)[C@H]1CN(C)CCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001180760514 781677480 /nfs/dbraw/zinc/67/74/80/781677480.db2.gz VOFQGCOICWQVIJ-GHMZBOCLSA-N 1 2 285.344 -1.367 20 0 CAADLO COCCN1C[C@H](C(=O)NC2C[NH+](C)C2)CC1=O ZINC001180891378 781680272 /nfs/dbraw/zinc/68/02/72/781680272.db2.gz NVMJORQXJSLGQO-SECBINFHSA-N 1 2 255.318 -1.089 20 0 CAADLO NC(=O)NCC(=O)N1CC[C@@H]([NH2+]Cc2nncs2)C1 ZINC001180908166 781682251 /nfs/dbraw/zinc/68/22/51/781682251.db2.gz YNBOHETWWYIPRD-SSDOTTSWSA-N 1 2 284.345 -1.103 20 0 CAADLO C[N@@H+]1CCO[C@H](CNC(=O)CN2CC(=O)NC2=O)C1 ZINC000264717396 781682438 /nfs/dbraw/zinc/68/24/38/781682438.db2.gz FLFIEXWRNCVWCT-MRVPVSSYSA-N 1 2 270.289 -2.015 20 0 CAADLO C[N@H+]1CCO[C@H](CNC(=O)CN2CC(=O)NC2=O)C1 ZINC000264717396 781682442 /nfs/dbraw/zinc/68/24/42/781682442.db2.gz FLFIEXWRNCVWCT-MRVPVSSYSA-N 1 2 270.289 -2.015 20 0 CAADLO Cn1[nH]c(C[NH2+][C@@H]2CCN(C(=O)CNC(N)=O)C2)nc1=O ZINC001180897357 781683712 /nfs/dbraw/zinc/68/37/12/781683712.db2.gz IDWLEVGTHHZOKO-SSDOTTSWSA-N 1 2 297.319 -2.533 20 0 CAADLO COC(=O)[C@H]1C[N@H+](C)CCN1C(=O)[C@@H]1COCCO1 ZINC001180999876 781683730 /nfs/dbraw/zinc/68/37/30/781683730.db2.gz JYYJBIZNROKAFO-ZJUUUORDSA-N 1 2 272.301 -1.283 20 0 CAADLO COC(=O)[C@H]1C[N@@H+](C)CCN1C(=O)[C@@H]1COCCO1 ZINC001180999876 781683732 /nfs/dbraw/zinc/68/37/32/781683732.db2.gz JYYJBIZNROKAFO-ZJUUUORDSA-N 1 2 272.301 -1.283 20 0 CAADLO COC(=O)[C@H]1C[N@H+](C)CCN1C(=O)[C@H]1COCCO1 ZINC001180999873 781684454 /nfs/dbraw/zinc/68/44/54/781684454.db2.gz JYYJBIZNROKAFO-NXEZZACHSA-N 1 2 272.301 -1.283 20 0 CAADLO COC(=O)[C@H]1C[N@@H+](C)CCN1C(=O)[C@H]1COCCO1 ZINC001180999873 781684460 /nfs/dbraw/zinc/68/44/60/781684460.db2.gz JYYJBIZNROKAFO-NXEZZACHSA-N 1 2 272.301 -1.283 20 0 CAADLO O=C(NCC[NH+]1CC2(COC2)C1)[C@@H]1COCCO1 ZINC001181006224 781685399 /nfs/dbraw/zinc/68/53/99/781685399.db2.gz WOQQTRBJKXNEPA-JTQLQIEISA-N 1 2 256.302 -1.150 20 0 CAADLO O=C(N[C@@H](CO)Cc1c[nH]c[nH+]1)[C@H]1COCCO1 ZINC001181005390 781685594 /nfs/dbraw/zinc/68/55/94/781685594.db2.gz MVXWIMLXYDXFJN-NXEZZACHSA-N 1 2 255.274 -1.155 20 0 CAADLO O=C(N[C@@H](CO)Cc1c[nH+]c[nH]1)[C@H]1COCCO1 ZINC001181005390 781685597 /nfs/dbraw/zinc/68/55/97/781685597.db2.gz MVXWIMLXYDXFJN-NXEZZACHSA-N 1 2 255.274 -1.155 20 0 CAADLO CN1C(=O)C[C@@H](C(=O)N[C@@H](CO)Cc2c[nH]c[nH+]2)NC1=O ZINC001181136974 781689097 /nfs/dbraw/zinc/68/90/97/781689097.db2.gz WSUREDWFUPKKHJ-BDAKNGLRSA-N 1 2 295.299 -1.630 20 0 CAADLO CN1C(=O)C[C@@H](C(=O)N[C@@H](CO)Cc2c[nH+]c[nH]2)NC1=O ZINC001181136974 781689102 /nfs/dbraw/zinc/68/91/02/781689102.db2.gz WSUREDWFUPKKHJ-BDAKNGLRSA-N 1 2 295.299 -1.630 20 0 CAADLO NC(=O)[C@H]1CN(C(=O)Cc2cc[nH+]c(N)c2)CCO1 ZINC001181258406 781690198 /nfs/dbraw/zinc/69/01/98/781690198.db2.gz ZPOMFVYHISJMIE-SECBINFHSA-N 1 2 264.285 -1.081 20 0 CAADLO CS(=O)(=O)N1CC(NC(=O)Cc2cc[nH+]c(N)c2)C1 ZINC001181265715 781690480 /nfs/dbraw/zinc/69/04/80/781690480.db2.gz RRWLAJWPKAXHSR-UHFFFAOYSA-N 1 2 284.341 -1.034 20 0 CAADLO Nc1cc(CC(=O)NC[C@H]2CNC(=O)CO2)cc[nH+]1 ZINC001181278910 781690861 /nfs/dbraw/zinc/69/08/61/781690861.db2.gz CMXSFFGNSDHZNL-VIFPVBQESA-N 1 2 264.285 -1.163 20 0 CAADLO CNS(=O)(=O)CCNC(=O)Cc1cc[nH+]c(N)c1 ZINC001181266281 781690991 /nfs/dbraw/zinc/69/09/91/781690991.db2.gz WVSFTUBKZRQALH-UHFFFAOYSA-N 1 2 272.330 -1.128 20 0 CAADLO CC(=O)C[C@H](C)C(=O)N1CN[C@H]([NH3+])[C@@H]2NCN[C@@H]21 ZINC001181256332 781692220 /nfs/dbraw/zinc/69/22/20/781692220.db2.gz KGRDDWNJHXMSKC-MIBSWOBISA-N 1 2 255.322 -1.879 20 0 CAADLO CC(=O)C[C@H](C)C(=O)N1CN[C@H]([NH3+])[C@H]2NCN[C@H]21 ZINC001181256334 781692289 /nfs/dbraw/zinc/69/22/89/781692289.db2.gz KGRDDWNJHXMSKC-NORCUCSASA-N 1 2 255.322 -1.879 20 0 CAADLO [NH3+][C@@H]1NCN(C(=O)C(=O)Cc2ccccc2)[C@@H]2NCN[C@@H]21 ZINC001181380604 781693600 /nfs/dbraw/zinc/69/36/00/781693600.db2.gz KRYHBVNTZWLKKR-UPJWGTAASA-N 1 2 289.339 -1.683 20 0 CAADLO CC(=O)NCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(N)=O ZINC001110247983 781701205 /nfs/dbraw/zinc/70/12/05/781701205.db2.gz SVAZOWQHWSPJCM-BBBLOLIVSA-N 1 2 268.317 -1.671 20 0 CAADLO CC(=O)NCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(N)=O ZINC001110247983 781701210 /nfs/dbraw/zinc/70/12/10/781701210.db2.gz SVAZOWQHWSPJCM-BBBLOLIVSA-N 1 2 268.317 -1.671 20 0 CAADLO [NH3+][C@@H]1NCN(C(=O)[C@H]2CCC(=O)C2)[C@@H]2NCN[C@@H]21 ZINC001181905422 781703345 /nfs/dbraw/zinc/70/33/45/781703345.db2.gz QDFRRUKNMFEYHL-ZQNVIIHSSA-N 1 2 253.306 -2.125 20 0 CAADLO Cn1ccc(C(=O)NCC[NH2+]Cc2nc(=O)n(C)[nH]2)n1 ZINC001151083659 781707875 /nfs/dbraw/zinc/70/78/75/781707875.db2.gz BKTVJVYMGYGWSZ-UHFFFAOYSA-N 1 2 279.304 -1.639 20 0 CAADLO CC(=O)N[C@@H](CCO)C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC001182135241 781710684 /nfs/dbraw/zinc/71/06/84/781710684.db2.gz SFZAABPMMSBUIJ-QWRGUYRKSA-N 1 2 273.333 -1.680 20 0 CAADLO CC(=O)N[C@@H](CCO)C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC001182135241 781710692 /nfs/dbraw/zinc/71/06/92/781710692.db2.gz SFZAABPMMSBUIJ-QWRGUYRKSA-N 1 2 273.333 -1.680 20 0 CAADLO CC(=O)N[C@H](CCO)C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC001182135239 781710921 /nfs/dbraw/zinc/71/09/21/781710921.db2.gz SFZAABPMMSBUIJ-GHMZBOCLSA-N 1 2 273.333 -1.680 20 0 CAADLO CC(=O)N[C@H](CCO)C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC001182135239 781710929 /nfs/dbraw/zinc/71/09/29/781710929.db2.gz SFZAABPMMSBUIJ-GHMZBOCLSA-N 1 2 273.333 -1.680 20 0 CAADLO CC(=O)N[C@@H](CCO)C(=O)N[C@@H](CO)Cc1c[nH]c[nH+]1 ZINC001182137129 781711313 /nfs/dbraw/zinc/71/13/13/781711313.db2.gz FTEGKUDOARKOGV-MNOVXSKESA-N 1 2 284.316 -1.684 20 0 CAADLO CC(=O)N[C@@H](CCO)C(=O)N[C@@H](CO)Cc1c[nH+]c[nH]1 ZINC001182137129 781711317 /nfs/dbraw/zinc/71/13/17/781711317.db2.gz FTEGKUDOARKOGV-MNOVXSKESA-N 1 2 284.316 -1.684 20 0 CAADLO CC(=O)N[C@@H](CCO)C(=O)NCC1([NH+]2CCCC2)COC1 ZINC001182135284 781711228 /nfs/dbraw/zinc/71/12/28/781711228.db2.gz TXEMYWJRBHODRP-LBPRGKRZSA-N 1 2 299.371 -1.146 20 0 CAADLO CC(=O)N[C@H](CCO)C(=O)N[C@@H](CO)Cc1c[nH]c[nH+]1 ZINC001182137128 781711402 /nfs/dbraw/zinc/71/14/02/781711402.db2.gz FTEGKUDOARKOGV-GHMZBOCLSA-N 1 2 284.316 -1.684 20 0 CAADLO CC(=O)N[C@H](CCO)C(=O)N[C@@H](CO)Cc1c[nH+]c[nH]1 ZINC001182137128 781711404 /nfs/dbraw/zinc/71/14/04/781711404.db2.gz FTEGKUDOARKOGV-GHMZBOCLSA-N 1 2 284.316 -1.684 20 0 CAADLO CC(=O)N[C@H](CCO)C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC001182139351 781712302 /nfs/dbraw/zinc/71/23/02/781712302.db2.gz ROKSZBRLRMGECX-CMPLNLGQSA-N 1 2 287.360 -1.290 20 0 CAADLO CC(=O)N[C@H](CCO)C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC001182139351 781712307 /nfs/dbraw/zinc/71/23/07/781712307.db2.gz ROKSZBRLRMGECX-CMPLNLGQSA-N 1 2 287.360 -1.290 20 0 CAADLO C[N@@H+]1CCO[C@H]2CN(C(=O)CC3CC(=O)NC(=O)C3)C[C@H]21 ZINC001182161482 781713055 /nfs/dbraw/zinc/71/30/55/781713055.db2.gz SYZOHEWMVLSTIN-MNOVXSKESA-N 1 2 295.339 -1.029 20 0 CAADLO C[N@H+]1CCO[C@H]2CN(C(=O)CC3CC(=O)NC(=O)C3)C[C@H]21 ZINC001182161482 781713060 /nfs/dbraw/zinc/71/30/60/781713060.db2.gz SYZOHEWMVLSTIN-MNOVXSKESA-N 1 2 295.339 -1.029 20 0 CAADLO CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC(N)=O ZINC001110257986 781715250 /nfs/dbraw/zinc/71/52/50/781715250.db2.gz UMCNQVQTPDFHDC-BBBLOLIVSA-N 1 2 298.343 -1.061 20 0 CAADLO CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC(N)=O ZINC001110257986 781715257 /nfs/dbraw/zinc/71/52/57/781715257.db2.gz UMCNQVQTPDFHDC-BBBLOLIVSA-N 1 2 298.343 -1.061 20 0 CAADLO CC(=O)N[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(N)=O ZINC001110265777 781716006 /nfs/dbraw/zinc/71/60/06/781716006.db2.gz ZQROBENEDUZCHY-IANFPDNMSA-N 1 2 282.344 -1.282 20 0 CAADLO CC(=O)N[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(N)=O ZINC001110265777 781716015 /nfs/dbraw/zinc/71/60/15/781716015.db2.gz ZQROBENEDUZCHY-IANFPDNMSA-N 1 2 282.344 -1.282 20 0 CAADLO CNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)NC(C)=O)C2 ZINC001110264971 781716410 /nfs/dbraw/zinc/71/64/10/781716410.db2.gz BDUQUZVSAKZXJX-HKWIRBFKSA-N 1 2 296.371 -1.022 20 0 CAADLO CNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)NC(C)=O)C2 ZINC001110264971 781716419 /nfs/dbraw/zinc/71/64/19/781716419.db2.gz BDUQUZVSAKZXJX-HKWIRBFKSA-N 1 2 296.371 -1.022 20 0 CAADLO CC(=O)N[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(N)=O ZINC001110265778 781716821 /nfs/dbraw/zinc/71/68/21/781716821.db2.gz ZQROBENEDUZCHY-WKJUBOCMSA-N 1 2 282.344 -1.282 20 0 CAADLO CC(=O)N[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(N)=O ZINC001110265778 781716826 /nfs/dbraw/zinc/71/68/26/781716826.db2.gz ZQROBENEDUZCHY-WKJUBOCMSA-N 1 2 282.344 -1.282 20 0 CAADLO COC(=O)[C@H](Cc1c[nH+]cn1C)NC(=O)[C@@H]1C[C@H]1C(N)=O ZINC001182393980 781721894 /nfs/dbraw/zinc/72/18/94/781721894.db2.gz YGVUBSICCYYAMO-BBBLOLIVSA-N 1 2 294.311 -1.258 20 0 CAADLO NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCn1cncn1)C2 ZINC001110288727 781722100 /nfs/dbraw/zinc/72/21/00/781722100.db2.gz ZPZVUUCGLSRCED-MXWKQRLJSA-N 1 2 292.343 -1.125 20 0 CAADLO NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCn1cncn1)C2 ZINC001110288727 781722106 /nfs/dbraw/zinc/72/21/06/781722106.db2.gz ZPZVUUCGLSRCED-MXWKQRLJSA-N 1 2 292.343 -1.125 20 0 CAADLO Cn1ncc2c1nc[nH+]c2NC1(CNC(=O)C(N)=O)CC1 ZINC001110323484 781730027 /nfs/dbraw/zinc/73/00/27/781730027.db2.gz SETZTOBYRBAIRK-UHFFFAOYSA-N 1 2 289.299 -1.091 20 0 CAADLO O=C(NCC[NH2+]Cc1cnon1)[C@H]1CCS(=O)(=O)N1 ZINC001151299872 781731401 /nfs/dbraw/zinc/73/14/01/781731401.db2.gz IAYHZBFYVBHHID-MRVPVSSYSA-N 1 2 289.317 -2.033 20 0 CAADLO COC(=O)[C@H]1C[N@H+](C)CCN1C(=O)[C@H]1CCNC1=O ZINC001183001619 781732816 /nfs/dbraw/zinc/73/28/16/781732816.db2.gz MDEIXIXDOOZXRS-DTWKUNHWSA-N 1 2 269.301 -1.562 20 0 CAADLO COC(=O)[C@H]1C[N@@H+](C)CCN1C(=O)[C@H]1CCNC1=O ZINC001183001619 781732820 /nfs/dbraw/zinc/73/28/20/781732820.db2.gz MDEIXIXDOOZXRS-DTWKUNHWSA-N 1 2 269.301 -1.562 20 0 CAADLO COC(=O)[C@@H]1C[N@H+](C)CCN1C(=O)[C@@H]1CCNC1=O ZINC001183001615 781733441 /nfs/dbraw/zinc/73/34/41/781733441.db2.gz MDEIXIXDOOZXRS-BDAKNGLRSA-N 1 2 269.301 -1.562 20 0 CAADLO COC(=O)[C@@H]1C[N@@H+](C)CCN1C(=O)[C@@H]1CCNC1=O ZINC001183001615 781733445 /nfs/dbraw/zinc/73/34/45/781733445.db2.gz MDEIXIXDOOZXRS-BDAKNGLRSA-N 1 2 269.301 -1.562 20 0 CAADLO COC(=O)[C@H](Cc1c[nH+]cn1C)NC(=O)[C@H]1CCNC1=O ZINC001183029666 781734033 /nfs/dbraw/zinc/73/40/33/781734033.db2.gz CLGBPUVVAPFQHQ-UWVGGRQHSA-N 1 2 294.311 -1.244 20 0 CAADLO COC(=O)[C@H](Cc1c[nH+]cn1C)NC(=O)[C@@H]1CCNC1=O ZINC001183029669 781734082 /nfs/dbraw/zinc/73/40/82/781734082.db2.gz CLGBPUVVAPFQHQ-ZJUUUORDSA-N 1 2 294.311 -1.244 20 0 CAADLO COC(=O)[C@@H](Cc1c[nH+]cn1C)NC(=O)[C@H]1CCNC1=O ZINC001183029667 781734607 /nfs/dbraw/zinc/73/46/07/781734607.db2.gz CLGBPUVVAPFQHQ-VHSXEESVSA-N 1 2 294.311 -1.244 20 0 CAADLO COC(=O)[C@H]1C[N@H+](C)CCN1C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001183072985 781736860 /nfs/dbraw/zinc/73/68/60/781736860.db2.gz MPFGTHGWCNGQIU-DTWKUNHWSA-N 1 2 284.316 -1.674 20 0 CAADLO COC(=O)[C@H]1C[N@@H+](C)CCN1C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001183072985 781736865 /nfs/dbraw/zinc/73/68/65/781736865.db2.gz MPFGTHGWCNGQIU-DTWKUNHWSA-N 1 2 284.316 -1.674 20 0 CAADLO CN1C[C@@H](C(=O)NCC2([NH+]3CCCC3)COC2)NC1=O ZINC001183075450 781737260 /nfs/dbraw/zinc/73/72/60/781737260.db2.gz XCFGXZGSCHVINM-JTQLQIEISA-N 1 2 282.344 -1.009 20 0 CAADLO [NH3+][C@@H]1NCN(C(=O)[C@H](O)C(F)(F)F)[C@@H]2NCN[C@@H]21 ZINC001183199983 781741387 /nfs/dbraw/zinc/74/13/87/781741387.db2.gz ABHWGOKMGHVIJO-MOJAZDJTSA-N 1 2 269.227 -2.571 20 0 CAADLO COC(=O)NCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(N)=O ZINC001110333772 781744006 /nfs/dbraw/zinc/74/40/06/781744006.db2.gz QKBUMKGGJOCHEH-HLTSFMKQSA-N 1 2 284.316 -1.451 20 0 CAADLO COC(=O)NCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(N)=O ZINC001110333772 781744010 /nfs/dbraw/zinc/74/40/10/781744010.db2.gz QKBUMKGGJOCHEH-HLTSFMKQSA-N 1 2 284.316 -1.451 20 0 CAADLO CO[C@H](C[NH+]1CC(O)(C(N)=O)C1)C1CCOCC1 ZINC001183620512 781745825 /nfs/dbraw/zinc/74/58/25/781745825.db2.gz SPMXYWASIPDXRI-SNVBAGLBSA-N 1 2 258.318 -1.040 20 0 CAADLO C[N@@H+]1CCO[C@H]2CN(C(=O)C[C@@H]3NC(=O)CNC3=O)C[C@H]21 ZINC001183717001 781752491 /nfs/dbraw/zinc/75/24/91/781752491.db2.gz DKEOXLBUTYXGTC-AEJSXWLSSA-N 1 2 296.327 -2.468 20 0 CAADLO C[N@H+]1CCO[C@H]2CN(C(=O)C[C@@H]3NC(=O)CNC3=O)C[C@H]21 ZINC001183717001 781752497 /nfs/dbraw/zinc/75/24/97/781752497.db2.gz DKEOXLBUTYXGTC-AEJSXWLSSA-N 1 2 296.327 -2.468 20 0 CAADLO Cc1c[nH]c(CCNC(=O)C[C@@H]2NC(=O)CNC2=O)[nH+]1 ZINC001183726523 781753711 /nfs/dbraw/zinc/75/37/11/781753711.db2.gz FMUVMGKVLLNZJP-QMMMGPOBSA-N 1 2 279.300 -1.618 20 0 CAADLO Cn1c[nH+]c(CCNC(=O)C[C@@H]2NC(=O)CNC2=O)c1 ZINC001183726391 781753930 /nfs/dbraw/zinc/75/39/30/781753930.db2.gz BHLJNTCYGAKTLZ-VIFPVBQESA-N 1 2 279.300 -1.917 20 0 CAADLO C[N@@H+]1CCO[C@@H](CNC(=O)C[C@@H]2NC(=O)CNC2=O)C1 ZINC001183726694 781755111 /nfs/dbraw/zinc/75/51/11/781755111.db2.gz JEUSGVRDQPTWTE-IUCAKERBSA-N 1 2 284.316 -2.562 20 0 CAADLO C[N@H+]1CCO[C@@H](CNC(=O)C[C@@H]2NC(=O)CNC2=O)C1 ZINC001183726694 781755115 /nfs/dbraw/zinc/75/51/15/781755115.db2.gz JEUSGVRDQPTWTE-IUCAKERBSA-N 1 2 284.316 -2.562 20 0 CAADLO C[C@H]1COCC[N@@H+]1CCNC(=O)C[C@@H]1NC(=O)CNC1=O ZINC001183731656 781757116 /nfs/dbraw/zinc/75/71/16/781757116.db2.gz MNCVLRMTPORDPD-UWVGGRQHSA-N 1 2 298.343 -2.172 20 0 CAADLO C[C@H]1COCC[N@H+]1CCNC(=O)C[C@@H]1NC(=O)CNC1=O ZINC001183731656 781757122 /nfs/dbraw/zinc/75/71/22/781757122.db2.gz MNCVLRMTPORDPD-UWVGGRQHSA-N 1 2 298.343 -2.172 20 0 CAADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)C[C@@H]1NC(=O)CNC1=O ZINC001183731657 781757153 /nfs/dbraw/zinc/75/71/53/781757153.db2.gz MNCVLRMTPORDPD-ZJUUUORDSA-N 1 2 298.343 -2.172 20 0 CAADLO C[C@@H]1COCC[N@H+]1CCNC(=O)C[C@@H]1NC(=O)CNC1=O ZINC001183731657 781757157 /nfs/dbraw/zinc/75/71/57/781757157.db2.gz MNCVLRMTPORDPD-ZJUUUORDSA-N 1 2 298.343 -2.172 20 0 CAADLO NC(=O)[C@@H](CO)NC(=O)CCc1ccc(N)[nH+]c1 ZINC001183934798 781759954 /nfs/dbraw/zinc/75/99/54/781759954.db2.gz DATKNRRJVHQONN-MRVPVSSYSA-N 1 2 252.274 -1.441 20 0 CAADLO COC(=O)[C@@H](Cc1c[nH+]cn1C)NC(=O)C1(CO)COC1 ZINC001184047642 781763386 /nfs/dbraw/zinc/76/33/86/781763386.db2.gz UGSPBCLUOHPGPJ-SNVBAGLBSA-N 1 2 297.311 -1.371 20 0 CAADLO CC[C@H](C)C(=O)C(=O)N1CN[C@H]([NH3+])[C@@H]2NCN[C@H]21 ZINC001184324138 781766851 /nfs/dbraw/zinc/76/68/51/781766851.db2.gz HAMGCGVGXGVPQF-YIKMNZTOSA-N 1 2 255.322 -1.879 20 0 CAADLO CC(C)CC(=O)C(=O)N1CN[C@H]([NH3+])[C@@H]2NCN[C@@H]21 ZINC001184331774 781767456 /nfs/dbraw/zinc/76/74/56/781767456.db2.gz BDOJZSHDGPAHTJ-LPEHRKFASA-N 1 2 255.322 -1.879 20 0 CAADLO [NH3+][C@@H]1NCN(C(=O)CC(=O)C(F)(F)F)[C@@H]2NCN[C@@H]21 ZINC001184466429 781768376 /nfs/dbraw/zinc/76/83/76/781768376.db2.gz HIIKYAYYNIEGKK-PRJMDXOYSA-N 1 2 281.238 -1.973 20 0 CAADLO [NH3+][C@@H]1NCN(C(=O)CC(=O)C(F)(F)F)[C@@H]2NCN[C@H]21 ZINC001184466430 781768584 /nfs/dbraw/zinc/76/85/84/781768584.db2.gz HIIKYAYYNIEGKK-RNJXMRFFSA-N 1 2 281.238 -1.973 20 0 CAADLO CN1CC[N@H+](C)C[C@H]1C(=O)NCCS(C)(=O)=O ZINC001185243811 781775083 /nfs/dbraw/zinc/77/50/83/781775083.db2.gz IOUZCFCSYDYJKA-VIFPVBQESA-N 1 2 263.363 -1.607 20 0 CAADLO CN1CC[N@@H+](C)C[C@H]1C(=O)NCCS(C)(=O)=O ZINC001185243811 781775092 /nfs/dbraw/zinc/77/50/92/781775092.db2.gz IOUZCFCSYDYJKA-VIFPVBQESA-N 1 2 263.363 -1.607 20 0 CAADLO CN1CC[N@H+](C)C[C@H]1C(=O)N=c1ncnc2[nH][nH]cc1-2 ZINC001185246022 781776039 /nfs/dbraw/zinc/77/60/39/781776039.db2.gz YMRHKMRKAAVYNS-VIFPVBQESA-N 1 2 275.316 -1.089 20 0 CAADLO CN1CC[N@@H+](C)C[C@H]1C(=O)N=c1ncnc2[nH][nH]cc1-2 ZINC001185246022 781776041 /nfs/dbraw/zinc/77/60/41/781776041.db2.gz YMRHKMRKAAVYNS-VIFPVBQESA-N 1 2 275.316 -1.089 20 0 CAADLO CN1CC[N@H+](C)C[C@@H]1C(=O)N=c1ncnc2[nH][nH]cc1-2 ZINC001185246019 781777605 /nfs/dbraw/zinc/77/76/05/781777605.db2.gz YMRHKMRKAAVYNS-SECBINFHSA-N 1 2 275.316 -1.089 20 0 CAADLO CN1CC[N@@H+](C)C[C@@H]1C(=O)N=c1ncnc2[nH][nH]cc1-2 ZINC001185246019 781777611 /nfs/dbraw/zinc/77/76/11/781777611.db2.gz YMRHKMRKAAVYNS-SECBINFHSA-N 1 2 275.316 -1.089 20 0 CAADLO CN1CC[N@H+](C)C[C@H]1C(=O)NCc1n[nH]c(=O)[nH]1 ZINC001185264228 781781319 /nfs/dbraw/zinc/78/13/19/781781319.db2.gz XRTQIDGKZOEJDJ-ZETCQYMHSA-N 1 2 254.294 -1.628 20 0 CAADLO CN1CC[N@@H+](C)C[C@H]1C(=O)NCc1n[nH]c(=O)[nH]1 ZINC001185264228 781781328 /nfs/dbraw/zinc/78/13/28/781781328.db2.gz XRTQIDGKZOEJDJ-ZETCQYMHSA-N 1 2 254.294 -1.628 20 0 CAADLO CNS(=O)(=O)CCNC(=O)C[N@@H+]1CC[C@H](O)C1 ZINC001186051331 781795172 /nfs/dbraw/zinc/79/51/72/781795172.db2.gz XQNUZTXHJIGVGJ-QMMMGPOBSA-N 1 2 265.335 -2.282 20 0 CAADLO CNS(=O)(=O)CCNC(=O)C[N@H+]1CC[C@H](O)C1 ZINC001186051331 781795176 /nfs/dbraw/zinc/79/51/76/781795176.db2.gz XQNUZTXHJIGVGJ-QMMMGPOBSA-N 1 2 265.335 -2.282 20 0 CAADLO O=C(C[N@H+]1CC[C@@H](O)C1)N[C@@H]1CCC(=O)NC1=O ZINC001186049093 781796186 /nfs/dbraw/zinc/79/61/86/781796186.db2.gz JZNDHDZLYDLDKO-HTQZYQBOSA-N 1 2 255.274 -2.026 20 0 CAADLO O=C(C[N@@H+]1CC[C@@H](O)C1)N[C@@H]1CCC(=O)NC1=O ZINC001186049093 781796190 /nfs/dbraw/zinc/79/61/90/781796190.db2.gz JZNDHDZLYDLDKO-HTQZYQBOSA-N 1 2 255.274 -2.026 20 0 CAADLO O=C(C[N@H+]1CC[C@@H](O)C1)N[C@H]1COCCC12OCCO2 ZINC001186048362 781795828 /nfs/dbraw/zinc/79/58/28/781795828.db2.gz GQXVBVACOBWGLQ-MNOVXSKESA-N 1 2 286.328 -1.299 20 0 CAADLO O=C(C[N@@H+]1CC[C@@H](O)C1)N[C@H]1COCCC12OCCO2 ZINC001186048362 781795831 /nfs/dbraw/zinc/79/58/31/781795831.db2.gz GQXVBVACOBWGLQ-MNOVXSKESA-N 1 2 286.328 -1.299 20 0 CAADLO COC(=O)[C@@H](NC(=O)C[N@H+]1CC[C@H](O)C1)[C@@H](C)O ZINC001186047695 781796657 /nfs/dbraw/zinc/79/66/57/781796657.db2.gz BMTVTCOVZOFGAP-WEDXCCLWSA-N 1 2 260.290 -1.908 20 0 CAADLO CCOC(=O)c1nnc(CNC(=O)C[N@@H+]2CC[C@@H](O)C2)o1 ZINC001186051398 781796591 /nfs/dbraw/zinc/79/65/91/781796591.db2.gz ZBYXYYITVJLIQS-MRVPVSSYSA-N 1 2 298.299 -1.071 20 0 CAADLO CCOC(=O)c1nnc(CNC(=O)C[N@H+]2CC[C@@H](O)C2)o1 ZINC001186051398 781796596 /nfs/dbraw/zinc/79/65/96/781796596.db2.gz ZBYXYYITVJLIQS-MRVPVSSYSA-N 1 2 298.299 -1.071 20 0 CAADLO COC(=O)[C@@H](NC(=O)C[N@@H+]1CC[C@H](O)C1)[C@@H](C)O ZINC001186047695 781796650 /nfs/dbraw/zinc/79/66/50/781796650.db2.gz BMTVTCOVZOFGAP-WEDXCCLWSA-N 1 2 260.290 -1.908 20 0 CAADLO CNS(=O)(=O)CCNC(=O)C[N@H+]1CC[C@@H](O)C1 ZINC001186051330 781797223 /nfs/dbraw/zinc/79/72/23/781797223.db2.gz XQNUZTXHJIGVGJ-MRVPVSSYSA-N 1 2 265.335 -2.282 20 0 CAADLO CNS(=O)(=O)CCNC(=O)C[N@@H+]1CC[C@@H](O)C1 ZINC001186051330 781797214 /nfs/dbraw/zinc/79/72/14/781797214.db2.gz XQNUZTXHJIGVGJ-MRVPVSSYSA-N 1 2 265.335 -2.282 20 0 CAADLO CSCC[C@H](NC(=O)C[N@@H+]1CC[C@H](O)C1)C(N)=O ZINC001186055530 781798367 /nfs/dbraw/zinc/79/83/67/781798367.db2.gz ROMNFCKMWLJNFC-IUCAKERBSA-N 1 2 275.374 -1.224 20 0 CAADLO CSCC[C@H](NC(=O)C[N@H+]1CC[C@H](O)C1)C(N)=O ZINC001186055530 781798379 /nfs/dbraw/zinc/79/83/79/781798379.db2.gz ROMNFCKMWLJNFC-IUCAKERBSA-N 1 2 275.374 -1.224 20 0 CAADLO CN(C)S(=O)(=O)CCNC(=O)C[N@@H+]1CC[C@H](O)C1 ZINC001186054869 781798838 /nfs/dbraw/zinc/79/88/38/781798838.db2.gz IURCMRBFYOVNTK-VIFPVBQESA-N 1 2 279.362 -1.939 20 0 CAADLO CN(C)S(=O)(=O)CCNC(=O)C[N@H+]1CC[C@H](O)C1 ZINC001186054869 781798845 /nfs/dbraw/zinc/79/88/45/781798845.db2.gz IURCMRBFYOVNTK-VIFPVBQESA-N 1 2 279.362 -1.939 20 0 CAADLO Nc1cn(C(=O)C[N@@H+]2CC[C@H](O)C2)c(N)nc1=O ZINC001186058716 781799675 /nfs/dbraw/zinc/79/96/75/781799675.db2.gz WJZAMDGURRBSSG-LURJTMIESA-N 1 2 253.262 -1.643 20 0 CAADLO Nc1cn(C(=O)C[N@H+]2CC[C@H](O)C2)c(N)nc1=O ZINC001186058716 781799680 /nfs/dbraw/zinc/79/96/80/781799680.db2.gz WJZAMDGURRBSSG-LURJTMIESA-N 1 2 253.262 -1.643 20 0 CAADLO COC(=O)[C@H]1CC[N@H+](CC(=O)n2cc(N)c(=O)nc2N)C1 ZINC001186116559 781801384 /nfs/dbraw/zinc/80/13/84/781801384.db2.gz HHWXJMZVABZFNU-ZETCQYMHSA-N 1 2 295.299 -1.215 20 0 CAADLO COC(=O)[C@H]1CC[N@@H+](CC(=O)n2cc(N)c(=O)nc2N)C1 ZINC001186116559 781801399 /nfs/dbraw/zinc/80/13/99/781801399.db2.gz HHWXJMZVABZFNU-ZETCQYMHSA-N 1 2 295.299 -1.215 20 0 CAADLO COC(=O)[C@H]1CC[N@H+](CC(=O)Nc2c[nH]nc2C(N)=O)C1 ZINC001186099055 781801992 /nfs/dbraw/zinc/80/19/92/781801992.db2.gz MVXWRBBXTPCZJD-ZETCQYMHSA-N 1 2 295.299 -1.058 20 0 CAADLO COC(=O)[C@H]1CC[N@@H+](CC(=O)Nc2c[nH]nc2C(N)=O)C1 ZINC001186099055 781802001 /nfs/dbraw/zinc/80/20/01/781802001.db2.gz MVXWRBBXTPCZJD-ZETCQYMHSA-N 1 2 295.299 -1.058 20 0 CAADLO [NH3+][C@@H]1NCN(C(=O)c2ccc(O)cc2F)[C@H]2NCN[C@@H]21 ZINC001186348007 781804915 /nfs/dbraw/zinc/80/49/15/781804915.db2.gz GPMMEXWCZGRUDG-GMTAPVOTSA-N 1 2 281.291 -1.336 20 0 CAADLO C[NH+]1CC2(C1)COCC(=O)N2C[C@@H]1CCC(=O)N1 ZINC001273524617 781808473 /nfs/dbraw/zinc/80/84/73/781808473.db2.gz CJYLGBWFBYMPJY-VIFPVBQESA-N 1 2 253.302 -1.192 20 0 CAADLO CN(CC[NH+]1CCOCC1)C(=O)C[C@@H]1NC(=O)NC1=O ZINC000270570257 781816551 /nfs/dbraw/zinc/81/65/51/781816551.db2.gz GUOSNNOLOHEQCY-VIFPVBQESA-N 1 2 284.316 -1.625 20 0 CAADLO O=C(CN1CCC(=O)C1)N[C@@H](CO)Cc1c[nH]c[nH+]1 ZINC001187336783 781817344 /nfs/dbraw/zinc/81/73/44/781817344.db2.gz MAKNUJUDFPABKT-SNVBAGLBSA-N 1 2 266.301 -1.296 20 0 CAADLO O=C(CN1CCC(=O)C1)N[C@@H](CO)Cc1c[nH+]c[nH]1 ZINC001187336783 781817358 /nfs/dbraw/zinc/81/73/58/781817358.db2.gz MAKNUJUDFPABKT-SNVBAGLBSA-N 1 2 266.301 -1.296 20 0 CAADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)C[C@@H]1NC(=O)NC1=O ZINC000270691114 781818958 /nfs/dbraw/zinc/81/89/58/781818958.db2.gz HLFATMIRQPJTRJ-IUCAKERBSA-N 1 2 284.316 -1.579 20 0 CAADLO [NH3+][C@@H]1NCN(C(=O)CN2CCC(=O)C2)[C@@H]2NCN[C@@H]21 ZINC001187337303 781819627 /nfs/dbraw/zinc/81/96/27/781819627.db2.gz KSIWUUKNJDLQOX-MXWKQRLJSA-N 1 2 268.321 -3.220 20 0 CAADLO C[N@@H+]1CCO[C@@H](CNC(=O)CNC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001187521146 781823731 /nfs/dbraw/zinc/82/37/31/781823731.db2.gz RTNUZWRTFOZGTF-UWVGGRQHSA-N 1 2 298.343 -2.172 20 0 CAADLO C[N@H+]1CCO[C@@H](CNC(=O)CNC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001187521146 781823742 /nfs/dbraw/zinc/82/37/42/781823742.db2.gz RTNUZWRTFOZGTF-UWVGGRQHSA-N 1 2 298.343 -2.172 20 0 CAADLO Cn1c[nH+]c(CCNC(=O)CNC(=O)[C@@H]2CCC(=O)N2)c1 ZINC001187520936 781824008 /nfs/dbraw/zinc/82/40/08/781824008.db2.gz MFOMOMFRYSJCDZ-JTQLQIEISA-N 1 2 293.327 -1.526 20 0 CAADLO [NH3+][C@@H]1NCN(C(=O)C2(C(=O)C3CC3)CC2)[C@@H]2NCN[C@H]21 ZINC001187652190 781826639 /nfs/dbraw/zinc/82/66/39/781826639.db2.gz CYIWSKYGORVFGC-GDPRMGEGSA-N 1 2 279.344 -1.735 20 0 CAADLO [NH3+][C@@H]1NCN(C(=O)C2(C(=O)C3CC3)CC2)[C@H]2NCN[C@@H]21 ZINC001187652189 781827237 /nfs/dbraw/zinc/82/72/37/781827237.db2.gz CYIWSKYGORVFGC-FBIMIBRVSA-N 1 2 279.344 -1.735 20 0 CAADLO NC(=O)NC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)C(N)=O)[C@@H]2C1 ZINC001188985905 781849112 /nfs/dbraw/zinc/84/91/12/781849112.db2.gz WCVNEFSKQZUQCF-NKWVEPMBSA-N 1 2 283.288 -2.801 20 0 CAADLO NC(=O)NC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)C(N)=O)[C@@H]2C1 ZINC001188985905 781849119 /nfs/dbraw/zinc/84/91/19/781849119.db2.gz WCVNEFSKQZUQCF-NKWVEPMBSA-N 1 2 283.288 -2.801 20 0 CAADLO COC[C@H](OC)C(=O)N1CC[C@H]2C[N@H+](CC(N)=O)C[C@H]21 ZINC001189092980 781851100 /nfs/dbraw/zinc/85/11/00/781851100.db2.gz HSBDIRNIZUJMSL-AXFHLTTASA-N 1 2 285.344 -1.334 20 0 CAADLO COC[C@H](OC)C(=O)N1CC[C@H]2C[N@@H+](CC(N)=O)C[C@H]21 ZINC001189092980 781851105 /nfs/dbraw/zinc/85/11/05/781851105.db2.gz HSBDIRNIZUJMSL-AXFHLTTASA-N 1 2 285.344 -1.334 20 0 CAADLO Cn1c(=O)cc(C(=O)NC2C[NH+](C)C2)n(C)c1=O ZINC001189437697 781857786 /nfs/dbraw/zinc/85/77/86/781857786.db2.gz WFZKERYRWCPQCB-UHFFFAOYSA-N 1 2 252.274 -1.872 20 0 CAADLO Cn1nc(C(=O)N[C@@H](CO)Cc2c[nH]c[nH+]2)ccc1=O ZINC001189497576 781860648 /nfs/dbraw/zinc/86/06/48/781860648.db2.gz GDPBPGZHFMSNJN-SECBINFHSA-N 1 2 277.284 -1.163 20 0 CAADLO Cn1nc(C(=O)N[C@@H](CO)Cc2c[nH+]c[nH]2)ccc1=O ZINC001189497576 781860656 /nfs/dbraw/zinc/86/06/56/781860656.db2.gz GDPBPGZHFMSNJN-SECBINFHSA-N 1 2 277.284 -1.163 20 0 CAADLO CC[N@H+](Cc1cn(C)nn1)[C@H](C)CNC(=O)CNC(N)=O ZINC001151778229 781862874 /nfs/dbraw/zinc/86/28/74/781862874.db2.gz ONDNSNIYOWKDCO-SECBINFHSA-N 1 2 297.363 -1.190 20 0 CAADLO CC[N@@H+](Cc1cn(C)nn1)[C@H](C)CNC(=O)CNC(N)=O ZINC001151778229 781862880 /nfs/dbraw/zinc/86/28/80/781862880.db2.gz ONDNSNIYOWKDCO-SECBINFHSA-N 1 2 297.363 -1.190 20 0 CAADLO NC(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(N)=O ZINC001110414789 781864000 /nfs/dbraw/zinc/86/40/00/781864000.db2.gz INTMVYBQZQBTOA-PRJMDXOYSA-N 1 2 254.290 -1.931 20 0 CAADLO NC(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(N)=O ZINC001110414789 781864008 /nfs/dbraw/zinc/86/40/08/781864008.db2.gz INTMVYBQZQBTOA-PRJMDXOYSA-N 1 2 254.290 -1.931 20 0 CAADLO CNC(=O)CC(=O)N1CC[C@H]([N@H+](C)Cc2cnnn2C)C1 ZINC001189837708 781866425 /nfs/dbraw/zinc/86/64/25/781866425.db2.gz TXOJFNYWJPVPBH-JTQLQIEISA-N 1 2 294.359 -1.016 20 0 CAADLO CNC(=O)CC(=O)N1CC[C@H]([N@@H+](C)Cc2cnnn2C)C1 ZINC001189837708 781866430 /nfs/dbraw/zinc/86/64/30/781866430.db2.gz TXOJFNYWJPVPBH-JTQLQIEISA-N 1 2 294.359 -1.016 20 0 CAADLO COCC(=O)N[C@@H]1C[N@H+](CC(=O)N(C)C2CC2)C[C@H]1O ZINC001190560339 781875190 /nfs/dbraw/zinc/87/51/90/781875190.db2.gz IVZXVKLTABJSAY-GHMZBOCLSA-N 1 2 285.344 -1.585 20 0 CAADLO COCC(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)C2CC2)C[C@H]1O ZINC001190560339 781875202 /nfs/dbraw/zinc/87/52/02/781875202.db2.gz IVZXVKLTABJSAY-GHMZBOCLSA-N 1 2 285.344 -1.585 20 0 CAADLO CCC(=O)N[C@@H]1C[N@H+](CCN(C)S(C)(=O)=O)C[C@H]1O ZINC001190562251 781875413 /nfs/dbraw/zinc/87/54/13/781875413.db2.gz UWADUXNOSSSACM-NXEZZACHSA-N 1 2 293.389 -1.551 20 0 CAADLO CCC(=O)N[C@@H]1C[N@@H+](CCN(C)S(C)(=O)=O)C[C@H]1O ZINC001190562251 781875419 /nfs/dbraw/zinc/87/54/19/781875419.db2.gz UWADUXNOSSSACM-NXEZZACHSA-N 1 2 293.389 -1.551 20 0 CAADLO CCC(=O)N[C@@H]1C[N@H+](CCNS(C)(=O)=O)C[C@H]1O ZINC001190551215 781875557 /nfs/dbraw/zinc/87/55/57/781875557.db2.gz POIAMLNUOQDHGJ-RKDXNWHRSA-N 1 2 279.362 -1.893 20 0 CAADLO CCC(=O)N[C@@H]1C[N@@H+](CCNS(C)(=O)=O)C[C@H]1O ZINC001190551215 781875562 /nfs/dbraw/zinc/87/55/62/781875562.db2.gz POIAMLNUOQDHGJ-RKDXNWHRSA-N 1 2 279.362 -1.893 20 0 CAADLO CCC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)NC(=O)NC)C[C@H]1O ZINC001190561937 781875585 /nfs/dbraw/zinc/87/55/85/781875585.db2.gz STRAWPZROMJWHA-IWSPIJDZSA-N 1 2 286.332 -1.598 20 0 CAADLO CCC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)NC(=O)NC)C[C@H]1O ZINC001190561937 781875595 /nfs/dbraw/zinc/87/55/95/781875595.db2.gz STRAWPZROMJWHA-IWSPIJDZSA-N 1 2 286.332 -1.598 20 0 CAADLO CC(=O)N[C@@H]1C[N@H+](CCN(C)S(C)(=O)=O)C[C@H]1O ZINC001190573992 781875741 /nfs/dbraw/zinc/87/57/41/781875741.db2.gz YXCPSRUVJHKBHU-NXEZZACHSA-N 1 2 279.362 -1.941 20 0 CAADLO CC(=O)N[C@@H]1C[N@@H+](CCN(C)S(C)(=O)=O)C[C@H]1O ZINC001190573992 781875751 /nfs/dbraw/zinc/87/57/51/781875751.db2.gz YXCPSRUVJHKBHU-NXEZZACHSA-N 1 2 279.362 -1.941 20 0 CAADLO O=C(N[C@@H]1C[N@@H+](CCNC(=O)C2CC2)C[C@H]1O)C(F)F ZINC001190573835 781875781 /nfs/dbraw/zinc/87/57/81/781875781.db2.gz VIPOKVZBGFVAIM-RKDXNWHRSA-N 1 2 291.298 -1.061 20 0 CAADLO O=C(N[C@@H]1C[N@H+](CCNC(=O)C2CC2)C[C@H]1O)C(F)F ZINC001190573835 781875792 /nfs/dbraw/zinc/87/57/92/781875792.db2.gz VIPOKVZBGFVAIM-RKDXNWHRSA-N 1 2 291.298 -1.061 20 0 CAADLO CC[C@@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCOC)C1 ZINC001190601503 781878266 /nfs/dbraw/zinc/87/82/66/781878266.db2.gz LSPAWYLDHHWYMR-KXUCPTDWSA-N 1 2 273.333 -1.552 20 0 CAADLO CC[C@@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCOC)C1 ZINC001190601503 781878275 /nfs/dbraw/zinc/87/82/75/781878275.db2.gz LSPAWYLDHHWYMR-KXUCPTDWSA-N 1 2 273.333 -1.552 20 0 CAADLO COCCC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)NC2CC2)C[C@H]1O ZINC001190610526 781878020 /nfs/dbraw/zinc/87/80/20/781878020.db2.gz WYUZCDFWHNPZHO-YUSALJHKSA-N 1 2 299.371 -1.149 20 0 CAADLO COCCC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)NC2CC2)C[C@H]1O ZINC001190610526 781878029 /nfs/dbraw/zinc/87/80/29/781878029.db2.gz WYUZCDFWHNPZHO-YUSALJHKSA-N 1 2 299.371 -1.149 20 0 CAADLO C[C@@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2CCC2)C1 ZINC001190601508 781878474 /nfs/dbraw/zinc/87/84/74/781878474.db2.gz LVBDHJVTIQZLFO-FXBDTBDDSA-N 1 2 298.343 -1.469 20 0 CAADLO C[C@@H](C(=O)NC(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)C2CCC2)C1 ZINC001190601508 781878480 /nfs/dbraw/zinc/87/84/80/781878480.db2.gz LVBDHJVTIQZLFO-FXBDTBDDSA-N 1 2 298.343 -1.469 20 0 CAADLO COCC(=O)N[C@@H]1C[N@@H+]([C@H]2CCCNC2=O)C[C@H]1O ZINC001190594321 781878523 /nfs/dbraw/zinc/87/85/23/781878523.db2.gz UCCUTIPZSJHXOS-KXUCPTDWSA-N 1 2 271.317 -1.927 20 0 CAADLO COCC(=O)N[C@@H]1C[N@H+]([C@H]2CCCNC2=O)C[C@H]1O ZINC001190594321 781878530 /nfs/dbraw/zinc/87/85/30/781878530.db2.gz UCCUTIPZSJHXOS-KXUCPTDWSA-N 1 2 271.317 -1.927 20 0 CAADLO COCCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC2CC2)C[C@H]1O ZINC001190610525 781879198 /nfs/dbraw/zinc/87/91/98/781879198.db2.gz WYUZCDFWHNPZHO-MVWJERBFSA-N 1 2 299.371 -1.149 20 0 CAADLO COCCC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)NC2CC2)C[C@H]1O ZINC001190610525 781879206 /nfs/dbraw/zinc/87/92/06/781879206.db2.gz WYUZCDFWHNPZHO-MVWJERBFSA-N 1 2 299.371 -1.149 20 0 CAADLO CC[C@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCOC)C1 ZINC001190601504 781879535 /nfs/dbraw/zinc/87/95/35/781879535.db2.gz LSPAWYLDHHWYMR-OPRDCNLKSA-N 1 2 273.333 -1.552 20 0 CAADLO CC[C@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCOC)C1 ZINC001190601504 781879540 /nfs/dbraw/zinc/87/95/40/781879540.db2.gz LSPAWYLDHHWYMR-OPRDCNLKSA-N 1 2 273.333 -1.552 20 0 CAADLO C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2CC2)C1 ZINC001190594922 781879583 /nfs/dbraw/zinc/87/95/83/781879583.db2.gz YVBCNDDQKYNTOH-FTLITQJKSA-N 1 2 284.316 -1.859 20 0 CAADLO C[C@H](C(=O)NC(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)C2CC2)C1 ZINC001190594922 781879592 /nfs/dbraw/zinc/87/95/92/781879592.db2.gz YVBCNDDQKYNTOH-FTLITQJKSA-N 1 2 284.316 -1.859 20 0 CAADLO COCCC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1O ZINC001190627183 781880232 /nfs/dbraw/zinc/88/02/32/781880232.db2.gz QSCIEOCETACTEO-GHMZBOCLSA-N 1 2 285.344 -1.584 20 0 CAADLO COCCC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1O ZINC001190627183 781880241 /nfs/dbraw/zinc/88/02/41/781880241.db2.gz QSCIEOCETACTEO-GHMZBOCLSA-N 1 2 285.344 -1.584 20 0 CAADLO CC[C@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)COC)C1 ZINC001190645957 781880328 /nfs/dbraw/zinc/88/03/28/781880328.db2.gz SWNRXNPLVGUEAJ-IWSPIJDZSA-N 1 2 259.306 -1.942 20 0 CAADLO CC[C@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)COC)C1 ZINC001190645957 781880337 /nfs/dbraw/zinc/88/03/37/781880337.db2.gz SWNRXNPLVGUEAJ-IWSPIJDZSA-N 1 2 259.306 -1.942 20 0 CAADLO COCCC(=O)N[C@@H]1C[N@H+](CC(=O)NC(C)C)C[C@H]1O ZINC001190633313 781880744 /nfs/dbraw/zinc/88/07/44/781880744.db2.gz HTEGSUPTXXGFQV-GHMZBOCLSA-N 1 2 287.360 -1.291 20 0 CAADLO COCCC(=O)N[C@@H]1C[N@@H+](CC(=O)NC(C)C)C[C@H]1O ZINC001190633313 781880751 /nfs/dbraw/zinc/88/07/51/781880751.db2.gz HTEGSUPTXXGFQV-GHMZBOCLSA-N 1 2 287.360 -1.291 20 0 CAADLO COCCC(=O)N[C@@H]1C[N@@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1O ZINC001190633713 781881191 /nfs/dbraw/zinc/88/11/91/781881191.db2.gz KORAKSYYACBPGY-KXUCPTDWSA-N 1 2 299.327 -2.011 20 0 CAADLO COCCC(=O)N[C@@H]1C[N@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1O ZINC001190633713 781881197 /nfs/dbraw/zinc/88/11/97/781881197.db2.gz KORAKSYYACBPGY-KXUCPTDWSA-N 1 2 299.327 -2.011 20 0 CAADLO C[C@@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC2CC2)C1 ZINC001190626537 781881869 /nfs/dbraw/zinc/88/18/69/781881869.db2.gz IHKPRKGATSWJOM-FXBDTBDDSA-N 1 2 298.343 -1.469 20 0 CAADLO C[C@@H](C(=O)NC(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)CC2CC2)C1 ZINC001190626537 781881879 /nfs/dbraw/zinc/88/18/79/781881879.db2.gz IHKPRKGATSWJOM-FXBDTBDDSA-N 1 2 298.343 -1.469 20 0 CAADLO CC(=O)NCC(=O)N[C@@H]1C[N@H+]([C@H](C)C(N)=O)C[C@H]1O ZINC001190709372 781882535 /nfs/dbraw/zinc/88/25/35/781882535.db2.gz KHWJBSRGTBICIU-FTLITQJKSA-N 1 2 272.305 -2.842 20 0 CAADLO CC(=O)NCC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(N)=O)C[C@H]1O ZINC001190709372 781882538 /nfs/dbraw/zinc/88/25/38/781882538.db2.gz KHWJBSRGTBICIU-FTLITQJKSA-N 1 2 272.305 -2.842 20 0 CAADLO COCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)N(C)C)C[C@H]1O ZINC001190646008 781882922 /nfs/dbraw/zinc/88/29/22/781882922.db2.gz VFZRMCAJZDYBCD-IVZWLZJFSA-N 1 2 273.333 -1.729 20 0 CAADLO COCC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)N(C)C)C[C@H]1O ZINC001190646008 781882928 /nfs/dbraw/zinc/88/29/28/781882928.db2.gz VFZRMCAJZDYBCD-IVZWLZJFSA-N 1 2 273.333 -1.729 20 0 CAADLO CC(=O)NCC(=O)N[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@H]1O ZINC001190709253 781882963 /nfs/dbraw/zinc/88/29/63/781882963.db2.gz GCFBDLYCQCWSQS-KXUCPTDWSA-N 1 2 284.316 -2.828 20 0 CAADLO CC(=O)NCC(=O)N[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@H]1O ZINC001190709253 781882968 /nfs/dbraw/zinc/88/29/68/781882968.db2.gz GCFBDLYCQCWSQS-KXUCPTDWSA-N 1 2 284.316 -2.828 20 0 CAADLO COCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC2CC2)C[C@H]1O ZINC001190651217 781883141 /nfs/dbraw/zinc/88/31/41/781883141.db2.gz FPNBEFFIECLLEN-JMJZKYOTSA-N 1 2 285.344 -1.539 20 0 CAADLO COCC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)NC2CC2)C[C@H]1O ZINC001190651217 781883151 /nfs/dbraw/zinc/88/31/51/781883151.db2.gz FPNBEFFIECLLEN-JMJZKYOTSA-N 1 2 285.344 -1.539 20 0 CAADLO COCC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)N(C)C)C[C@H]1O ZINC001190646009 781883390 /nfs/dbraw/zinc/88/33/90/781883390.db2.gz VFZRMCAJZDYBCD-OPRDCNLKSA-N 1 2 273.333 -1.729 20 0 CAADLO COCC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)N(C)C)C[C@H]1O ZINC001190646009 781883398 /nfs/dbraw/zinc/88/33/98/781883398.db2.gz VFZRMCAJZDYBCD-OPRDCNLKSA-N 1 2 273.333 -1.729 20 0 CAADLO CC(=O)NCC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@H]1O ZINC001190709254 781883454 /nfs/dbraw/zinc/88/34/54/781883454.db2.gz GCFBDLYCQCWSQS-OPRDCNLKSA-N 1 2 284.316 -2.828 20 0 CAADLO CC(=O)NCC(=O)N[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@H]1O ZINC001190709254 781883462 /nfs/dbraw/zinc/88/34/62/781883462.db2.gz GCFBDLYCQCWSQS-OPRDCNLKSA-N 1 2 284.316 -2.828 20 0 CAADLO CC(C)CC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1O ZINC001190795378 781889019 /nfs/dbraw/zinc/88/90/19/781889019.db2.gz RMWFZRJGUUFYLN-GMTAPVOTSA-N 1 2 297.355 -1.001 20 0 CAADLO CC(C)CC(=O)N[C@@H]1C[N@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1O ZINC001190795378 781889026 /nfs/dbraw/zinc/88/90/26/781889026.db2.gz RMWFZRJGUUFYLN-GMTAPVOTSA-N 1 2 297.355 -1.001 20 0 CAADLO CCN(C)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCO2)C1 ZINC001190785421 781889392 /nfs/dbraw/zinc/88/93/92/781889392.db2.gz BUTXVCCXGXCYCV-IJLUTSLNSA-N 1 2 299.371 -1.195 20 0 CAADLO CCN(C)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCO2)C1 ZINC001190785421 781889402 /nfs/dbraw/zinc/88/94/02/781889402.db2.gz BUTXVCCXGXCYCV-IJLUTSLNSA-N 1 2 299.371 -1.195 20 0 CAADLO CC(C)=CC(=O)N[C@@H]1C[N@H+]([C@H](C)C(N)=O)C[C@H]1O ZINC001190820706 781889932 /nfs/dbraw/zinc/88/99/32/781889932.db2.gz CCQRLAWQCHQFQS-OPRDCNLKSA-N 1 2 255.318 -1.012 20 0 CAADLO CC(C)=CC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(N)=O)C[C@H]1O ZINC001190820706 781889943 /nfs/dbraw/zinc/88/99/43/781889943.db2.gz CCQRLAWQCHQFQS-OPRDCNLKSA-N 1 2 255.318 -1.012 20 0 CAADLO CCOCC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCCC2)C[C@H]1O ZINC001190832313 781889980 /nfs/dbraw/zinc/88/99/80/781889980.db2.gz SJRLXWPFHPULGU-VXGBXAGGSA-N 1 2 299.371 -1.193 20 0 CAADLO CCOCC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCCC2)C[C@H]1O ZINC001190832313 781889991 /nfs/dbraw/zinc/88/99/91/781889991.db2.gz SJRLXWPFHPULGU-VXGBXAGGSA-N 1 2 299.371 -1.193 20 0 CAADLO CCOCC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1O ZINC001190851356 781890505 /nfs/dbraw/zinc/89/05/05/781890505.db2.gz RNOBSXHVSXRGMB-OPRDCNLKSA-N 1 2 299.327 -2.011 20 0 CAADLO CCOCC(=O)N[C@@H]1C[N@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1O ZINC001190851356 781890511 /nfs/dbraw/zinc/89/05/11/781890511.db2.gz RNOBSXHVSXRGMB-OPRDCNLKSA-N 1 2 299.327 -2.011 20 0 CAADLO CC(C)=CC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1O ZINC001190871063 781891007 /nfs/dbraw/zinc/89/10/07/781891007.db2.gz SIMJSDQWKSCTBW-GMTAPVOTSA-N 1 2 295.339 -1.081 20 0 CAADLO CC(C)=CC(=O)N[C@@H]1C[N@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1O ZINC001190871063 781891015 /nfs/dbraw/zinc/89/10/15/781891015.db2.gz SIMJSDQWKSCTBW-GMTAPVOTSA-N 1 2 295.339 -1.081 20 0 CAADLO CCOCC(=O)N[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]1O ZINC001190850785 781891276 /nfs/dbraw/zinc/89/12/76/781891276.db2.gz ACQAYSBJCVUFCH-NXEZZACHSA-N 1 2 273.333 -1.728 20 0 CAADLO CCOCC(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1O ZINC001190850785 781891286 /nfs/dbraw/zinc/89/12/86/781891286.db2.gz ACQAYSBJCVUFCH-NXEZZACHSA-N 1 2 273.333 -1.728 20 0 CAADLO CCOCC(=O)N[C@@H]1C[N@H+](CC(=O)N(C)C2CC2)C[C@H]1O ZINC001190842661 781891316 /nfs/dbraw/zinc/89/13/16/781891316.db2.gz QIBZSGBNOBIYAR-VXGBXAGGSA-N 1 2 299.371 -1.195 20 0 CAADLO CCOCC(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)C2CC2)C[C@H]1O ZINC001190842661 781891324 /nfs/dbraw/zinc/89/13/24/781891324.db2.gz QIBZSGBNOBIYAR-VXGBXAGGSA-N 1 2 299.371 -1.195 20 0 CAADLO CCOCC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)NC)C[C@H]1O ZINC001190859967 781891580 /nfs/dbraw/zinc/89/15/80/781891580.db2.gz LQDYTWOGOGSDSO-OPRDCNLKSA-N 1 2 273.333 -1.681 20 0 CAADLO CCOCC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)NC)C[C@H]1O ZINC001190859967 781891586 /nfs/dbraw/zinc/89/15/86/781891586.db2.gz LQDYTWOGOGSDSO-OPRDCNLKSA-N 1 2 273.333 -1.681 20 0 CAADLO Cc1oncc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CNC(N)=O)C1 ZINC001190968895 781892773 /nfs/dbraw/zinc/89/27/73/781892773.db2.gz LIWPYFSDONHFTR-NXEZZACHSA-N 1 2 297.315 -1.687 20 0 CAADLO Cc1oncc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)CNC(N)=O)C1 ZINC001190968895 781892783 /nfs/dbraw/zinc/89/27/83/781892783.db2.gz LIWPYFSDONHFTR-NXEZZACHSA-N 1 2 297.315 -1.687 20 0 CAADLO CSCC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCN(C)C2=O)C[C@H]1O ZINC001190914133 781893899 /nfs/dbraw/zinc/89/38/99/781893899.db2.gz QRYHVTXAAVRFMK-OPRDCNLKSA-N 1 2 287.385 -1.259 20 0 CAADLO CSCC(=O)N[C@@H]1C[N@H+]([C@@H]2CCN(C)C2=O)C[C@H]1O ZINC001190914133 781893906 /nfs/dbraw/zinc/89/39/06/781893906.db2.gz QRYHVTXAAVRFMK-OPRDCNLKSA-N 1 2 287.385 -1.259 20 0 CAADLO Cc1ncc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)CNC(N)=O)C2)o1 ZINC001190978283 781895025 /nfs/dbraw/zinc/89/50/25/781895025.db2.gz UQEQDDCLIOAHTB-NXEZZACHSA-N 1 2 297.315 -1.687 20 0 CAADLO Cc1ncc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)CNC(N)=O)C2)o1 ZINC001190978283 781895030 /nfs/dbraw/zinc/89/50/30/781895030.db2.gz UQEQDDCLIOAHTB-NXEZZACHSA-N 1 2 297.315 -1.687 20 0 CAADLO CC[C@@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CNC(N)=O)C1 ZINC001190978317 781895290 /nfs/dbraw/zinc/89/52/90/781895290.db2.gz VGYBOWDFFMZOSA-GJMOJQLCSA-N 1 2 287.320 -2.920 20 0 CAADLO CC[C@@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)CNC(N)=O)C1 ZINC001190978317 781895298 /nfs/dbraw/zinc/89/52/98/781895298.db2.gz VGYBOWDFFMZOSA-GJMOJQLCSA-N 1 2 287.320 -2.920 20 0 CAADLO Cn1cc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)CNC(N)=O)C2)cn1 ZINC001190952105 781895453 /nfs/dbraw/zinc/89/54/53/781895453.db2.gz AWYPDTDBZVBJFD-NXEZZACHSA-N 1 2 296.331 -2.250 20 0 CAADLO Cn1cc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)CNC(N)=O)C2)cn1 ZINC001190952105 781895457 /nfs/dbraw/zinc/89/54/57/781895457.db2.gz AWYPDTDBZVBJFD-NXEZZACHSA-N 1 2 296.331 -2.250 20 0 CAADLO CN1CC[C@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)CNC(N)=O)C2)C1=O ZINC001190978141 781895545 /nfs/dbraw/zinc/89/55/45/781895545.db2.gz SUPMZECZIRFBEU-HRDYMLBCSA-N 1 2 299.331 -2.953 20 0 CAADLO CN1CC[C@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)CNC(N)=O)C2)C1=O ZINC001190978141 781895551 /nfs/dbraw/zinc/89/55/51/781895551.db2.gz SUPMZECZIRFBEU-HRDYMLBCSA-N 1 2 299.331 -2.953 20 0 CAADLO CC(C)C(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC(N)=O)C[C@H]1O ZINC001191041196 781896886 /nfs/dbraw/zinc/89/68/86/781896886.db2.gz BMYPVWLVZOGROP-DJLDLDEBSA-N 1 2 286.332 -1.613 20 0 CAADLO CC(C)C(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)NC(N)=O)C[C@H]1O ZINC001191041196 781896889 /nfs/dbraw/zinc/89/68/89/781896889.db2.gz BMYPVWLVZOGROP-DJLDLDEBSA-N 1 2 286.332 -1.613 20 0 CAADLO NC(=O)NCC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@H]1O ZINC001190952659 781897082 /nfs/dbraw/zinc/89/70/82/781897082.db2.gz NTJVZJMGOVUDBG-BWZBUEFSSA-N 1 2 285.304 -3.296 20 0 CAADLO NC(=O)NCC(=O)N[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@H]1O ZINC001190952659 781897090 /nfs/dbraw/zinc/89/70/90/781897090.db2.gz NTJVZJMGOVUDBG-BWZBUEFSSA-N 1 2 285.304 -3.296 20 0 CAADLO CC(C)C(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)NC(N)=O)C[C@H]1O ZINC001191041203 781897111 /nfs/dbraw/zinc/89/71/11/781897111.db2.gz BMYPVWLVZOGROP-IWSPIJDZSA-N 1 2 286.332 -1.613 20 0 CAADLO CC(C)C(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)NC(N)=O)C[C@H]1O ZINC001191041203 781897123 /nfs/dbraw/zinc/89/71/23/781897123.db2.gz BMYPVWLVZOGROP-IWSPIJDZSA-N 1 2 286.332 -1.613 20 0 CAADLO NC(=O)NCC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1O ZINC001190952583 781897179 /nfs/dbraw/zinc/89/71/79/781897179.db2.gz KKPMSFALCYBXRA-RKDXNWHRSA-N 1 2 299.331 -2.952 20 0 CAADLO NC(=O)NCC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1O ZINC001190952583 781897182 /nfs/dbraw/zinc/89/71/82/781897182.db2.gz KKPMSFALCYBXRA-RKDXNWHRSA-N 1 2 299.331 -2.952 20 0 CAADLO NC(=O)NCC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCCNC2=O)C[C@H]1O ZINC001190952638 781897453 /nfs/dbraw/zinc/89/74/53/781897453.db2.gz NARACPOSSCUXAS-IWSPIJDZSA-N 1 2 299.331 -2.905 20 0 CAADLO NC(=O)NCC(=O)N[C@@H]1C[N@H+]([C@@H]2CCCNC2=O)C[C@H]1O ZINC001190952638 781897464 /nfs/dbraw/zinc/89/74/64/781897464.db2.gz NARACPOSSCUXAS-IWSPIJDZSA-N 1 2 299.331 -2.905 20 0 CAADLO NC(=O)NCC(=O)N[C@@H]1C[N@H+](CC(=O)NC2CC2)C[C@H]1O ZINC001190953046 781897899 /nfs/dbraw/zinc/89/78/99/781897899.db2.gz XDKXNALTPUGUPB-RKDXNWHRSA-N 1 2 299.331 -2.905 20 0 CAADLO NC(=O)NCC(=O)N[C@@H]1C[N@@H+](CC(=O)NC2CC2)C[C@H]1O ZINC001190953046 781897910 /nfs/dbraw/zinc/89/79/10/781897910.db2.gz XDKXNALTPUGUPB-RKDXNWHRSA-N 1 2 299.331 -2.905 20 0 CAADLO O=C(CCn1cncn1)N[C@@H]1C[N@@H+](CCF)C[C@H]1O ZINC001191121985 781899442 /nfs/dbraw/zinc/89/94/42/781899442.db2.gz VZUVLARERWYAAI-NXEZZACHSA-N 1 2 271.296 -1.201 20 0 CAADLO O=C(CCn1cncn1)N[C@@H]1C[N@H+](CCF)C[C@H]1O ZINC001191121985 781899454 /nfs/dbraw/zinc/89/94/54/781899454.db2.gz VZUVLARERWYAAI-NXEZZACHSA-N 1 2 271.296 -1.201 20 0 CAADLO CC(=O)N(C)CC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(N)=O)C[C@H]1O ZINC001191185154 781901684 /nfs/dbraw/zinc/90/16/84/781901684.db2.gz DHZWUUZUKXZUOY-FXBDTBDDSA-N 1 2 286.332 -2.500 20 0 CAADLO CC(=O)N(C)CC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(N)=O)C[C@H]1O ZINC001191185154 781901688 /nfs/dbraw/zinc/90/16/88/781901688.db2.gz DHZWUUZUKXZUOY-FXBDTBDDSA-N 1 2 286.332 -2.500 20 0 CAADLO CC(C)OCCC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@H]1O ZINC001191218107 781901734 /nfs/dbraw/zinc/90/17/34/781901734.db2.gz RYBMULZUUIIHAP-IJLUTSLNSA-N 1 2 299.371 -1.149 20 0 CAADLO CC(C)OCCC(=O)N[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@H]1O ZINC001191218107 781901739 /nfs/dbraw/zinc/90/17/39/781901739.db2.gz RYBMULZUUIIHAP-IJLUTSLNSA-N 1 2 299.371 -1.149 20 0 CAADLO CN(C)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)COCC2CC2)C1 ZINC001191300195 781904120 /nfs/dbraw/zinc/90/41/20/781904120.db2.gz HJHNIMWLFLZKPB-VXGBXAGGSA-N 1 2 299.371 -1.338 20 0 CAADLO CN(C)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)COCC2CC2)C1 ZINC001191300195 781904127 /nfs/dbraw/zinc/90/41/27/781904127.db2.gz HJHNIMWLFLZKPB-VXGBXAGGSA-N 1 2 299.371 -1.338 20 0 CAADLO CC[C@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)COCC2CC2)C1 ZINC001191293679 781904180 /nfs/dbraw/zinc/90/41/80/781904180.db2.gz GGKILPIUGDDNQN-IJLUTSLNSA-N 1 2 299.371 -1.162 20 0 CAADLO CC[C@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)COCC2CC2)C1 ZINC001191293679 781904187 /nfs/dbraw/zinc/90/41/87/781904187.db2.gz GGKILPIUGDDNQN-IJLUTSLNSA-N 1 2 299.371 -1.162 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CNC(=O)C2CC2)C1 ZINC001191314266 781904537 /nfs/dbraw/zinc/90/45/37/781904537.db2.gz BSVJIZIWQRAGNA-SZEHBUNVSA-N 1 2 298.343 -2.452 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)CNC(=O)C2CC2)C1 ZINC001191314266 781904541 /nfs/dbraw/zinc/90/45/41/781904541.db2.gz BSVJIZIWQRAGNA-SZEHBUNVSA-N 1 2 298.343 -2.452 20 0 CAADLO CCOCCCC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(N)=O)C[C@H]1O ZINC001191288041 781904705 /nfs/dbraw/zinc/90/47/05/781904705.db2.gz ZRXOCQVSYNRDKF-GMTAPVOTSA-N 1 2 287.360 -1.162 20 0 CAADLO CCOCCCC(=O)N[C@@H]1C[N@H+]([C@H](C)C(N)=O)C[C@H]1O ZINC001191288041 781904713 /nfs/dbraw/zinc/90/47/13/781904713.db2.gz ZRXOCQVSYNRDKF-GMTAPVOTSA-N 1 2 287.360 -1.162 20 0 CAADLO CCOCCCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(N)=O)C[C@H]1O ZINC001191288042 781905304 /nfs/dbraw/zinc/90/53/04/781905304.db2.gz ZRXOCQVSYNRDKF-HBNTYKKESA-N 1 2 287.360 -1.162 20 0 CAADLO CCOCCCC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(N)=O)C[C@H]1O ZINC001191288042 781905312 /nfs/dbraw/zinc/90/53/12/781905312.db2.gz ZRXOCQVSYNRDKF-HBNTYKKESA-N 1 2 287.360 -1.162 20 0 CAADLO O=C(COCC1CC1)N[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@H]1O ZINC001191300745 781905618 /nfs/dbraw/zinc/90/56/18/781905618.db2.gz WAYCLLNYMXZKSN-IJLUTSLNSA-N 1 2 297.355 -1.537 20 0 CAADLO O=C(COCC1CC1)N[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@H]1O ZINC001191300745 781905628 /nfs/dbraw/zinc/90/56/28/781905628.db2.gz WAYCLLNYMXZKSN-IJLUTSLNSA-N 1 2 297.355 -1.537 20 0 CAADLO CO[C@H](C)C(=O)N[C@@H]1C[N@H+](CC(=O)N(C)C2CC2)C[C@H]1O ZINC001191422897 781906363 /nfs/dbraw/zinc/90/63/63/781906363.db2.gz CTMQPZIXBFUCCY-YUSALJHKSA-N 1 2 299.371 -1.197 20 0 CAADLO CO[C@H](C)C(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)C2CC2)C[C@H]1O ZINC001191422897 781906374 /nfs/dbraw/zinc/90/63/74/781906374.db2.gz CTMQPZIXBFUCCY-YUSALJHKSA-N 1 2 299.371 -1.197 20 0 CAADLO CO[C@@H](C)C(=O)N[C@@H]1C[N@H+](CC(=O)N2CCCC2)C[C@H]1O ZINC001191422955 781907274 /nfs/dbraw/zinc/90/72/74/781907274.db2.gz DZGJQYUAVZFTPR-QJPTWQEYSA-N 1 2 299.371 -1.195 20 0 CAADLO CO[C@@H](C)C(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCCC2)C[C@H]1O ZINC001191422955 781907279 /nfs/dbraw/zinc/90/72/79/781907279.db2.gz DZGJQYUAVZFTPR-QJPTWQEYSA-N 1 2 299.371 -1.195 20 0 CAADLO COCCCC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCN(C)C2=O)C[C@H]1O ZINC001191335155 781907345 /nfs/dbraw/zinc/90/73/45/781907345.db2.gz IWGRIMFXZHYCTN-IJLUTSLNSA-N 1 2 299.371 -1.195 20 0 CAADLO COCCCC(=O)N[C@@H]1C[N@H+]([C@@H]2CCN(C)C2=O)C[C@H]1O ZINC001191335155 781907352 /nfs/dbraw/zinc/90/73/52/781907352.db2.gz IWGRIMFXZHYCTN-IJLUTSLNSA-N 1 2 299.371 -1.195 20 0 CAADLO COCCCC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCCNC2=O)C[C@H]1O ZINC001191328414 781907408 /nfs/dbraw/zinc/90/74/08/781907408.db2.gz SJMPJFLANSEGAA-IJLUTSLNSA-N 1 2 299.371 -1.147 20 0 CAADLO COCCCC(=O)N[C@@H]1C[N@H+]([C@@H]2CCCNC2=O)C[C@H]1O ZINC001191328414 781907410 /nfs/dbraw/zinc/90/74/10/781907410.db2.gz SJMPJFLANSEGAA-IJLUTSLNSA-N 1 2 299.371 -1.147 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC(F)(F)F)C1 ZINC001191492824 781909922 /nfs/dbraw/zinc/90/99/22/781909922.db2.gz XABHYDKSKZDYIN-FSDSQADBSA-N 1 2 283.250 -1.026 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)CC(F)(F)F)C1 ZINC001191492824 781909928 /nfs/dbraw/zinc/90/99/28/781909928.db2.gz XABHYDKSKZDYIN-FSDSQADBSA-N 1 2 283.250 -1.026 20 0 CAADLO O=C(CC(F)(F)F)N[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@H]1O ZINC001191524786 781910402 /nfs/dbraw/zinc/91/04/02/781910402.db2.gz RLBWVRLEWNJKRA-GJMOJQLCSA-N 1 2 295.261 -1.011 20 0 CAADLO O=C(CC(F)(F)F)N[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@H]1O ZINC001191524786 781910395 /nfs/dbraw/zinc/91/03/95/781910395.db2.gz RLBWVRLEWNJKRA-GJMOJQLCSA-N 1 2 295.261 -1.011 20 0 CAADLO COC(=O)[C@@H]1C[N@H+](C)CCN1C(=O)c1ncc[nH]c1=O ZINC001191511595 781910482 /nfs/dbraw/zinc/91/04/82/781910482.db2.gz ZJJOBBICLTWKRQ-QMMMGPOBSA-N 1 2 280.284 -1.301 20 0 CAADLO COC(=O)[C@@H]1C[N@@H+](C)CCN1C(=O)c1ncc[nH]c1=O ZINC001191511595 781910486 /nfs/dbraw/zinc/91/04/86/781910486.db2.gz ZJJOBBICLTWKRQ-QMMMGPOBSA-N 1 2 280.284 -1.301 20 0 CAADLO O=C(CC(F)(F)F)N[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@H]1O ZINC001191524785 781910512 /nfs/dbraw/zinc/91/05/12/781910512.db2.gz RLBWVRLEWNJKRA-BWZBUEFSSA-N 1 2 295.261 -1.011 20 0 CAADLO O=C(CC(F)(F)F)N[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@H]1O ZINC001191524785 781910515 /nfs/dbraw/zinc/91/05/15/781910515.db2.gz RLBWVRLEWNJKRA-BWZBUEFSSA-N 1 2 295.261 -1.011 20 0 CAADLO CCCOCC(=O)N[C@@H]1C[N@@H+]([C@H](CC)C(N)=O)C[C@H]1O ZINC001191581289 781913828 /nfs/dbraw/zinc/91/38/28/781913828.db2.gz WOVPFCVLXNFQTG-GMTAPVOTSA-N 1 2 287.360 -1.162 20 0 CAADLO CCCOCC(=O)N[C@@H]1C[N@H+]([C@H](CC)C(N)=O)C[C@H]1O ZINC001191581289 781913834 /nfs/dbraw/zinc/91/38/34/781913834.db2.gz WOVPFCVLXNFQTG-GMTAPVOTSA-N 1 2 287.360 -1.162 20 0 CAADLO COCCCCC(=O)N[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@H]1O ZINC001191631491 781915548 /nfs/dbraw/zinc/91/55/48/781915548.db2.gz ZJJAKQWFNYNAAZ-GRYCIOLGSA-N 1 2 299.371 -1.147 20 0 CAADLO COCCCCC(=O)N[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@H]1O ZINC001191631491 781915552 /nfs/dbraw/zinc/91/55/52/781915552.db2.gz ZJJAKQWFNYNAAZ-GRYCIOLGSA-N 1 2 299.371 -1.147 20 0 CAADLO CCOCCC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(N)=O)C[C@H]1O ZINC001191705485 781916640 /nfs/dbraw/zinc/91/66/40/781916640.db2.gz SDKLUMZLNUNDFT-OPRDCNLKSA-N 1 2 273.333 -1.552 20 0 CAADLO CCOCCC(=O)N[C@@H]1C[N@H+]([C@H](C)C(N)=O)C[C@H]1O ZINC001191705485 781916645 /nfs/dbraw/zinc/91/66/45/781916645.db2.gz SDKLUMZLNUNDFT-OPRDCNLKSA-N 1 2 273.333 -1.552 20 0 CAADLO CCNC(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCOCC)C1 ZINC001191705104 781916672 /nfs/dbraw/zinc/91/66/72/781916672.db2.gz DFJDMILFQZMSRC-GHMZBOCLSA-N 1 2 287.360 -1.290 20 0 CAADLO CCNC(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCOCC)C1 ZINC001191705104 781916677 /nfs/dbraw/zinc/91/66/77/781916677.db2.gz DFJDMILFQZMSRC-GHMZBOCLSA-N 1 2 287.360 -1.290 20 0 CAADLO CO[C@@H](C)CC(=O)N[C@@H]1C[N@H+](CC(=O)NC2CC2)C[C@H]1O ZINC001191658246 781916710 /nfs/dbraw/zinc/91/67/10/781916710.db2.gz DFCBONLNYWEFNJ-MVWJERBFSA-N 1 2 299.371 -1.149 20 0 CAADLO CO[C@@H](C)CC(=O)N[C@@H]1C[N@@H+](CC(=O)NC2CC2)C[C@H]1O ZINC001191658246 781916716 /nfs/dbraw/zinc/91/67/16/781916716.db2.gz DFCBONLNYWEFNJ-MVWJERBFSA-N 1 2 299.371 -1.149 20 0 CAADLO CCOCCC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCCNC2=O)C[C@H]1O ZINC001191705279 781917054 /nfs/dbraw/zinc/91/70/54/781917054.db2.gz KIAWHOJQKSUFQQ-IJLUTSLNSA-N 1 2 299.371 -1.147 20 0 CAADLO CCOCCC(=O)N[C@@H]1C[N@H+]([C@@H]2CCCNC2=O)C[C@H]1O ZINC001191705279 781917060 /nfs/dbraw/zinc/91/70/60/781917060.db2.gz KIAWHOJQKSUFQQ-IJLUTSLNSA-N 1 2 299.371 -1.147 20 0 CAADLO COC[C@H](C)C(=O)N[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1O ZINC001191687628 781917121 /nfs/dbraw/zinc/91/71/21/781917121.db2.gz QYBSXQBUVKUMQA-QJPTWQEYSA-N 1 2 299.371 -1.338 20 0 CAADLO COC[C@H](C)C(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1O ZINC001191687628 781917130 /nfs/dbraw/zinc/91/71/30/781917130.db2.gz QYBSXQBUVKUMQA-QJPTWQEYSA-N 1 2 299.371 -1.338 20 0 CAADLO CCOCCC(=O)N[C@@H]1C[N@@H+]([C@@H](CC)C(N)=O)C[C@H]1O ZINC001191715373 781917336 /nfs/dbraw/zinc/91/73/36/781917336.db2.gz WYZQSGCWKVXXTE-OUAUKWLOSA-N 1 2 287.360 -1.162 20 0 CAADLO CCOCCC(=O)N[C@@H]1C[N@H+]([C@@H](CC)C(N)=O)C[C@H]1O ZINC001191715373 781917341 /nfs/dbraw/zinc/91/73/41/781917341.db2.gz WYZQSGCWKVXXTE-OUAUKWLOSA-N 1 2 287.360 -1.162 20 0 CAADLO CCOCCC(=O)N[C@@H]1C[N@@H+]([C@H]2CCCNC2=O)C[C@H]1O ZINC001191705278 781917367 /nfs/dbraw/zinc/91/73/67/781917367.db2.gz KIAWHOJQKSUFQQ-GRYCIOLGSA-N 1 2 299.371 -1.147 20 0 CAADLO CCOCCC(=O)N[C@@H]1C[N@H+]([C@H]2CCCNC2=O)C[C@H]1O ZINC001191705278 781917374 /nfs/dbraw/zinc/91/73/74/781917374.db2.gz KIAWHOJQKSUFQQ-GRYCIOLGSA-N 1 2 299.371 -1.147 20 0 CAADLO CCOCCC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@H]1O ZINC001191705396 781917760 /nfs/dbraw/zinc/91/77/60/781917760.db2.gz PAWKRAXOXRJBHJ-GMTAPVOTSA-N 1 2 285.344 -1.537 20 0 CAADLO CCOCCC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)NC)C[C@H]1O ZINC001191715140 781917623 /nfs/dbraw/zinc/91/76/23/781917623.db2.gz RBBDPOSVVSBGHU-GMTAPVOTSA-N 1 2 287.360 -1.291 20 0 CAADLO CCOCCC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)NC)C[C@H]1O ZINC001191715140 781917628 /nfs/dbraw/zinc/91/76/28/781917628.db2.gz RBBDPOSVVSBGHU-GMTAPVOTSA-N 1 2 287.360 -1.291 20 0 CAADLO CCOCCC(=O)N[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@H]1O ZINC001191705396 781917767 /nfs/dbraw/zinc/91/77/67/781917767.db2.gz PAWKRAXOXRJBHJ-GMTAPVOTSA-N 1 2 285.344 -1.537 20 0 CAADLO C[N@H+](CCNC(=O)CCNC(N)=O)CC(=O)N1CCC1 ZINC001420339274 890434055 /nfs/dbraw/zinc/43/40/55/890434055.db2.gz CXOQYCSDYFUREA-UHFFFAOYSA-N 1 2 285.348 -1.675 20 0 CAADLO C[N@@H+](CCNC(=O)CCNC(N)=O)CC(=O)N1CCC1 ZINC001420339274 890434058 /nfs/dbraw/zinc/43/40/58/890434058.db2.gz CXOQYCSDYFUREA-UHFFFAOYSA-N 1 2 285.348 -1.675 20 0 CAADLO CC[N@H+](CCNC(=O)CCc1cn[nH]n1)CC(=O)NC ZINC001420429936 890440698 /nfs/dbraw/zinc/44/06/98/890440698.db2.gz ZVLCTYJLWBLWQY-UHFFFAOYSA-N 1 2 282.348 -1.079 20 0 CAADLO CC[N@@H+](CCNC(=O)CCc1cn[nH]n1)CC(=O)NC ZINC001420429936 890440716 /nfs/dbraw/zinc/44/07/16/890440716.db2.gz ZVLCTYJLWBLWQY-UHFFFAOYSA-N 1 2 282.348 -1.079 20 0 CAADLO CC[N@H+](CCNC(=O)CCc1c[nH]nn1)CC(=O)NC ZINC001420429936 890440727 /nfs/dbraw/zinc/44/07/27/890440727.db2.gz ZVLCTYJLWBLWQY-UHFFFAOYSA-N 1 2 282.348 -1.079 20 0 CAADLO CC[N@@H+](CCNC(=O)CCc1c[nH]nn1)CC(=O)NC ZINC001420429936 890440740 /nfs/dbraw/zinc/44/07/40/890440740.db2.gz ZVLCTYJLWBLWQY-UHFFFAOYSA-N 1 2 282.348 -1.079 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CC[C@H]1CNC(=O)CN1CCOCC1 ZINC001420816489 890464570 /nfs/dbraw/zinc/46/45/70/890464570.db2.gz WFECTOFJJPLKBU-MNOVXSKESA-N 1 2 284.360 -1.617 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CC[C@H]1CNC(=O)CN1CCOCC1 ZINC001420816489 890464578 /nfs/dbraw/zinc/46/45/78/890464578.db2.gz WFECTOFJJPLKBU-MNOVXSKESA-N 1 2 284.360 -1.617 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+]1CC[C@H]1CNC(=O)CNC(C)=O ZINC001420796052 890464630 /nfs/dbraw/zinc/46/46/30/890464630.db2.gz MNCHRECCXUZQLQ-SCZZXKLOSA-N 1 2 270.333 -1.553 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+]1CC[C@H]1CNC(=O)CNC(C)=O ZINC001420796052 890464634 /nfs/dbraw/zinc/46/46/34/890464634.db2.gz MNCHRECCXUZQLQ-SCZZXKLOSA-N 1 2 270.333 -1.553 20 0 CAADLO CNC(=O)NCCC(=O)NC[C@@H]1CC[N@@H+]1CC(=O)N(C)C ZINC001420855852 890469748 /nfs/dbraw/zinc/46/97/48/890469748.db2.gz ZYUSJKXSWFUNEQ-JTQLQIEISA-N 1 2 299.375 -1.416 20 0 CAADLO CNC(=O)NCCC(=O)NC[C@@H]1CC[N@H+]1CC(=O)N(C)C ZINC001420855852 890469756 /nfs/dbraw/zinc/46/97/56/890469756.db2.gz ZYUSJKXSWFUNEQ-JTQLQIEISA-N 1 2 299.375 -1.416 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@H](NC(=O)CNC(=O)C2CC2)C1 ZINC001420992249 890477039 /nfs/dbraw/zinc/47/70/39/890477039.db2.gz JDXRXYSGQIDQOS-JTQLQIEISA-N 1 2 282.344 -1.422 20 0 CAADLO COC[C@H](O)C[NH+]1CC(NC(=O)[C@H]2CCC(=O)N2)C1 ZINC001421037973 890482728 /nfs/dbraw/zinc/48/27/28/890482728.db2.gz JEQPGSGIHPXGLY-NXEZZACHSA-N 1 2 271.317 -1.927 20 0 CAADLO CNS(=O)(=O)CCC(=O)NCC1C[NH+](CC(N)=O)C1 ZINC001421123819 890486788 /nfs/dbraw/zinc/48/67/88/890486788.db2.gz BZJHKWRQQHLRAA-UHFFFAOYSA-N 1 2 292.361 -2.541 20 0 CAADLO CCNC(=O)C[NH+]1CC(CNC(=O)CNC(=O)CC)C1 ZINC001421129809 890487358 /nfs/dbraw/zinc/48/73/58/890487358.db2.gz JBQJTEIMGWEIHT-UHFFFAOYSA-N 1 2 284.360 -1.303 20 0 CAADLO C[C@H](CS(C)(=O)=O)C(=O)NCC1C[NH+](CCO)C1 ZINC001421184745 890492195 /nfs/dbraw/zinc/49/21/95/890492195.db2.gz AETMOWJGZAQAOZ-SECBINFHSA-N 1 2 278.374 -1.293 20 0 CAADLO CNC(=O)CCCC(=O)NC1(CCO)C[NH+](CCO)C1 ZINC001422621846 890603170 /nfs/dbraw/zinc/60/31/70/890603170.db2.gz OSYXIPWJYBGCKH-UHFFFAOYSA-N 1 2 287.360 -1.552 20 0 CAADLO CC[C@@H](NC(C)=O)C(=O)NC1(CCO)C[NH+](CCO)C1 ZINC001422641205 890606285 /nfs/dbraw/zinc/60/62/85/890606285.db2.gz GXMVSQBOMWFNCN-LLVKDONJSA-N 1 2 287.360 -1.554 20 0 CAADLO CC(=O)N[C@H](C)C(=O)NC[C@@H]1CC[N@H+]1CC(=O)N(C)C ZINC001423050809 890624286 /nfs/dbraw/zinc/62/42/86/890624286.db2.gz ROEHOUSGJNNAFT-KOLCDFICSA-N 1 2 284.360 -1.210 20 0 CAADLO Cn1ncc(C[NH2+][C@H](CO)CNC(=O)[C@@H]2CCOC2)n1 ZINC001423197136 890638729 /nfs/dbraw/zinc/63/87/29/890638729.db2.gz ALFUAGZPDBWZMG-KOLCDFICSA-N 1 2 283.332 -1.582 20 0 CAADLO CC(C)N(CC[N@@H+](C)CC(N)=O)C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001423555291 890684972 /nfs/dbraw/zinc/68/49/72/890684972.db2.gz IYLQLTZJEZBTFP-JTQLQIEISA-N 1 2 299.375 -1.336 20 0 CAADLO COC(=O)NCC(=O)N(CC[N@H+](C)CC(N)=O)C(C)C ZINC001423558508 890686430 /nfs/dbraw/zinc/68/64/30/890686430.db2.gz QSMCFGAIENOQHT-UHFFFAOYSA-N 1 2 288.348 -1.004 20 0 CAADLO COC(=O)NCC(=O)N(CC[N@@H+](C)CC(N)=O)C(C)C ZINC001423558508 890686441 /nfs/dbraw/zinc/68/64/41/890686441.db2.gz QSMCFGAIENOQHT-UHFFFAOYSA-N 1 2 288.348 -1.004 20 0 CAADLO C[C@H](NC(N)=O)C(=O)N[C@H]1COC2(C[NH+](CCO)C2)C1 ZINC001424356330 890730871 /nfs/dbraw/zinc/73/08/71/890730871.db2.gz JVSKGHQSQRJIII-DTWKUNHWSA-N 1 2 286.332 -2.005 20 0 CAADLO C[C@@H]1C(=O)N(C)CN1S(=O)(=O)N1CC[NH+](C)CC1 ZINC001424333788 890730937 /nfs/dbraw/zinc/73/09/37/890730937.db2.gz BTKGHPDXMWXHEI-SECBINFHSA-N 1 2 276.362 -1.401 20 0 CAADLO C[C@@H](O)C[NH+]1CC(CCO)(NC(=O)c2cn(C)nn2)C1 ZINC001425110988 890756812 /nfs/dbraw/zinc/75/68/12/890756812.db2.gz PWYQJDIANVCBQI-SECBINFHSA-N 1 2 283.332 -1.638 20 0 CAADLO CSCC(=O)N[C@H](CO)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001425488911 890783810 /nfs/dbraw/zinc/78/38/10/890783810.db2.gz NRGAKNVTDKLSHY-QMMMGPOBSA-N 1 2 286.357 -1.092 20 0 CAADLO CC(=O)NCC(=O)NC[C@@H](CO)[NH2+]Cc1coc(C)n1 ZINC001425697140 890796468 /nfs/dbraw/zinc/79/64/68/890796468.db2.gz RKOVXPGMDOPFGN-JTQLQIEISA-N 1 2 284.316 -1.314 20 0 CAADLO Cn1nnnc1C[NH2+][C@@H](CO)CNC(=O)[C@H]1CC1(F)F ZINC001425749063 890809384 /nfs/dbraw/zinc/80/93/84/890809384.db2.gz VMDCBLPCRJQELR-RNFRBKRXSA-N 1 2 290.274 -1.568 20 0 CAADLO CO[C@H](C)CC(=O)NC[C@H](CO)[NH2+]Cc1nncn1C ZINC001425722863 890804489 /nfs/dbraw/zinc/80/44/89/890804489.db2.gz MRUQBUJANIBVPM-NXEZZACHSA-N 1 2 285.348 -1.193 20 0 CAADLO Cn1nnnc1C[NH2+][C@@H](CO)CNC(=O)CC1(C)CC1 ZINC001425789524 890817333 /nfs/dbraw/zinc/81/73/33/890817333.db2.gz WVGJILZHWDQVJN-SECBINFHSA-N 1 2 282.348 -1.033 20 0 CAADLO CNC(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)c1ccn[nH]1 ZINC001426065600 890849211 /nfs/dbraw/zinc/84/92/11/890849211.db2.gz ZWHQOCNRJKWPFR-SECBINFHSA-N 1 2 283.332 -1.480 20 0 CAADLO CNC(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1ccn[nH]1 ZINC001426065600 890849221 /nfs/dbraw/zinc/84/92/21/890849221.db2.gz ZWHQOCNRJKWPFR-SECBINFHSA-N 1 2 283.332 -1.480 20 0 CAADLO CNC(=O)C[N@H+](CCNC(=O)[C@@H]1CCOC1)CCOC ZINC001426153236 890852941 /nfs/dbraw/zinc/85/29/41/890852941.db2.gz GUVTXADQZWRNTI-LLVKDONJSA-N 1 2 287.360 -1.167 20 0 CAADLO CNC(=O)C[N@@H+](CCNC(=O)[C@@H]1CCOC1)CCOC ZINC001426153236 890852953 /nfs/dbraw/zinc/85/29/53/890852953.db2.gz GUVTXADQZWRNTI-LLVKDONJSA-N 1 2 287.360 -1.167 20 0 CAADLO COCC[N@H+](CCNC(=O)c1cnn(C)c1)CC(N)=O ZINC001426153194 890855788 /nfs/dbraw/zinc/85/57/88/890855788.db2.gz FRZKJWJJNWIXFC-UHFFFAOYSA-N 1 2 283.332 -1.416 20 0 CAADLO COCC[N@@H+](CCNC(=O)c1cnn(C)c1)CC(N)=O ZINC001426153194 890855795 /nfs/dbraw/zinc/85/57/95/890855795.db2.gz FRZKJWJJNWIXFC-UHFFFAOYSA-N 1 2 283.332 -1.416 20 0 CAADLO CC(=O)NCC(=O)N(C)CCNC(=O)Cc1c[nH]c[nH+]1 ZINC001429520515 890941726 /nfs/dbraw/zinc/94/17/26/890941726.db2.gz WHRCNSXFZYSTJS-UHFFFAOYSA-N 1 2 281.316 -1.337 20 0 CAADLO CNC(=O)C[N@@H+]1CCCN(CC(=O)NC(N)=O)CC1 ZINC001434489492 891125148 /nfs/dbraw/zinc/12/51/48/891125148.db2.gz JADALSMAKNCIFN-UHFFFAOYSA-N 1 2 271.321 -2.065 20 0 CAADLO CNC(=O)C[N@H+]1CCCN(CC(=O)NC(N)=O)CC1 ZINC001434489492 891125157 /nfs/dbraw/zinc/12/51/57/891125157.db2.gz JADALSMAKNCIFN-UHFFFAOYSA-N 1 2 271.321 -2.065 20 0 CAADLO CNC(=O)CN1CCC[N@H+](CC(=O)NC(N)=O)CC1 ZINC001434489492 891125165 /nfs/dbraw/zinc/12/51/65/891125165.db2.gz JADALSMAKNCIFN-UHFFFAOYSA-N 1 2 271.321 -2.065 20 0 CAADLO CNC(=O)CN1CCC[N@@H+](CC(=O)NC(N)=O)CC1 ZINC001434489492 891125171 /nfs/dbraw/zinc/12/51/71/891125171.db2.gz JADALSMAKNCIFN-UHFFFAOYSA-N 1 2 271.321 -2.065 20 0 CAADLO Cc1nnc(CNS(=O)(=O)N2CC[NH+](C)CC2)n1C ZINC001434548699 891127478 /nfs/dbraw/zinc/12/74/78/891127478.db2.gz GJKRFKDEYLMBNR-UHFFFAOYSA-N 1 2 288.377 -1.295 20 0 CAADLO C[C@@H]1OCC[C@@]1(O)CNS(=O)(=O)N1CC[NH+](C)CC1 ZINC001434567217 891127176 /nfs/dbraw/zinc/12/71/76/891127176.db2.gz GUGIUMRIFIFIAI-WDEREUQCSA-N 1 2 293.389 -1.392 20 0 CAADLO C[C@@H]1CO[C@H](CO)CN1S(=O)(=O)N1CC[NH+](C)CC1 ZINC001434553854 891128496 /nfs/dbraw/zinc/12/84/96/891128496.db2.gz VCHXHGKDUSMQSN-MNOVXSKESA-N 1 2 293.389 -1.440 20 0 CAADLO C[C@H]1CO[C@@H](CO)CN1S(=O)(=O)N1CC[NH+](C)CC1 ZINC001434553856 891128508 /nfs/dbraw/zinc/12/85/08/891128508.db2.gz VCHXHGKDUSMQSN-WDEREUQCSA-N 1 2 293.389 -1.440 20 0 CAADLO COC[C@@H](CCO)NS(=O)(=O)N1CC[NH+](C)CC1 ZINC001434561524 891128374 /nfs/dbraw/zinc/12/83/74/891128374.db2.gz XWAOCKDMTLGQCK-SNVBAGLBSA-N 1 2 281.378 -1.534 20 0 CAADLO C[C@H]1OCC[C@@]1(O)CNS(=O)(=O)N1CC[NH+](C)CC1 ZINC001434567214 891128442 /nfs/dbraw/zinc/12/84/42/891128442.db2.gz GUGIUMRIFIFIAI-GHMZBOCLSA-N 1 2 293.389 -1.392 20 0 CAADLO CC(=O)N(C)C1C[NH+](C[C@@H](O)CN2C(=O)CCC2=O)C1 ZINC001042393709 884017311 /nfs/dbraw/zinc/01/73/11/884017311.db2.gz WAIMZMNVUUJEMG-LLVKDONJSA-N 1 2 283.328 -1.341 20 0 CAADLO C[C@]1(NC(=O)C(N)=O)CC[N@H+](CC(=O)NCC2CC2)C1 ZINC001278419801 884105369 /nfs/dbraw/zinc/10/53/69/884105369.db2.gz GRHWQBFYOUINII-ZDUSSCGKSA-N 1 2 282.344 -1.422 20 0 CAADLO C[C@]1(NC(=O)C(N)=O)CC[N@@H+](CC(=O)NCC2CC2)C1 ZINC001278419801 884105384 /nfs/dbraw/zinc/10/53/84/884105384.db2.gz GRHWQBFYOUINII-ZDUSSCGKSA-N 1 2 282.344 -1.422 20 0 CAADLO Cn1[nH]c(C[NH+]2CCC(OCC(N)=O)CC2)nc1=O ZINC001307521117 884123966 /nfs/dbraw/zinc/12/39/66/884123966.db2.gz RXHQJNOVGAWFCF-UHFFFAOYSA-N 1 2 269.305 -1.425 20 0 CAADLO Cn1[nH]c(C[N@H+](CCO)CCOCCO)nc1=O ZINC001307827893 884123988 /nfs/dbraw/zinc/12/39/88/884123988.db2.gz AIVLDVCLVCVZMM-UHFFFAOYSA-N 1 2 260.294 -2.088 20 0 CAADLO Cn1[nH]c(C[N@@H+](CCO)CCOCCO)nc1=O ZINC001307827893 884123992 /nfs/dbraw/zinc/12/39/92/884123992.db2.gz AIVLDVCLVCVZMM-UHFFFAOYSA-N 1 2 260.294 -2.088 20 0 CAADLO C[C@H]1NC(=O)N(CC[NH+]2CCN(CC(N)=O)CC2)C1=O ZINC001307556605 884125475 /nfs/dbraw/zinc/12/54/75/884125475.db2.gz DXJQJVLJDDYOCH-SECBINFHSA-N 1 2 283.332 -1.970 20 0 CAADLO CN1CC[N@H+](CCCOC(=O)NC(N)=O)C[C@@H]1CO ZINC001307990923 884129478 /nfs/dbraw/zinc/12/94/78/884129478.db2.gz ZYJAPIGKQMENTB-SECBINFHSA-N 1 2 274.321 -1.210 20 0 CAADLO CN1CC[N@@H+](CCCOC(=O)NC(N)=O)C[C@@H]1CO ZINC001307990923 884129485 /nfs/dbraw/zinc/12/94/85/884129485.db2.gz ZYJAPIGKQMENTB-SECBINFHSA-N 1 2 274.321 -1.210 20 0 CAADLO CCNC(=O)[C@H](C)[NH2+]Cc1cn(CC(N)=O)nn1 ZINC001308190886 884133139 /nfs/dbraw/zinc/13/31/39/884133139.db2.gz YGMHIFHXTAUHRS-ZETCQYMHSA-N 1 2 254.294 -1.622 20 0 CAADLO COC(=O)CN(C)S(=O)(=O)N1CC[NH+](C)CC1 ZINC001309042198 884133285 /nfs/dbraw/zinc/13/32/85/884133285.db2.gz PVOHLSSZAQXPBX-UHFFFAOYSA-N 1 2 265.335 -1.417 20 0 CAADLO C[C@]1(CO)C[C@H](O)C[N@@H+]1Cc1cn(CC(N)=O)nn1 ZINC001308873042 884133291 /nfs/dbraw/zinc/13/32/91/884133291.db2.gz WALSMHHBXHPHNS-GXSJLCMTSA-N 1 2 269.305 -1.919 20 0 CAADLO C[C@]1(CO)C[C@H](O)C[N@H+]1Cc1cn(CC(N)=O)nn1 ZINC001308873042 884133293 /nfs/dbraw/zinc/13/32/93/884133293.db2.gz WALSMHHBXHPHNS-GXSJLCMTSA-N 1 2 269.305 -1.919 20 0 CAADLO C[C@@H]1[C@@H](NC(=O)C(N)=O)CC[N@@H+]1CC(=O)NCC1CC1 ZINC001316790818 884153017 /nfs/dbraw/zinc/15/30/17/884153017.db2.gz NYJNSVWILWUYAB-SCZZXKLOSA-N 1 2 282.344 -1.423 20 0 CAADLO C[C@@H]1[C@@H](NC(=O)C(N)=O)CC[N@H+]1CC(=O)NCC1CC1 ZINC001316790818 884153021 /nfs/dbraw/zinc/15/30/21/884153021.db2.gz NYJNSVWILWUYAB-SCZZXKLOSA-N 1 2 282.344 -1.423 20 0 CAADLO CC[N@H+](CCCNC(=O)C(N)=O)[C@H](C)c1nnnn1C ZINC001316901230 884159565 /nfs/dbraw/zinc/15/95/65/884159565.db2.gz CHGRSBMYIRLFTI-MRVPVSSYSA-N 1 2 283.336 -1.415 20 0 CAADLO CC[N@@H+](CCCNC(=O)C(N)=O)[C@H](C)c1nnnn1C ZINC001316901230 884159573 /nfs/dbraw/zinc/15/95/73/884159573.db2.gz CHGRSBMYIRLFTI-MRVPVSSYSA-N 1 2 283.336 -1.415 20 0 CAADLO CC(=O)N[C@H](C)C(=O)N[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001316969998 884163222 /nfs/dbraw/zinc/16/32/22/884163222.db2.gz VDVOJGYVBJWOQJ-VXNVDRBHSA-N 1 2 256.306 -1.813 20 0 CAADLO CC(=O)N[C@H](C)C(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001316969998 884163233 /nfs/dbraw/zinc/16/32/33/884163233.db2.gz VDVOJGYVBJWOQJ-VXNVDRBHSA-N 1 2 256.306 -1.813 20 0 CAADLO CNC(=O)C[N@H+](C)CCNC(=O)c1nccnc1N ZINC001317441280 884195424 /nfs/dbraw/zinc/19/54/24/884195424.db2.gz HXWCQQVAZLPFTJ-UHFFFAOYSA-N 1 2 266.305 -1.534 20 0 CAADLO CNC(=O)C[N@@H+](C)CCNC(=O)c1nccnc1N ZINC001317441280 884195431 /nfs/dbraw/zinc/19/54/31/884195431.db2.gz HXWCQQVAZLPFTJ-UHFFFAOYSA-N 1 2 266.305 -1.534 20 0 CAADLO C[N@H+](CCNC(=O)C1(C(N)=O)CC1)CC(=O)N1CCC1 ZINC001317459233 884202943 /nfs/dbraw/zinc/20/29/43/884202943.db2.gz KNZHOQPNRNMCQW-UHFFFAOYSA-N 1 2 282.344 -1.468 20 0 CAADLO C[N@@H+](CCNC(=O)C1(C(N)=O)CC1)CC(=O)N1CCC1 ZINC001317459233 884202963 /nfs/dbraw/zinc/20/29/63/884202963.db2.gz KNZHOQPNRNMCQW-UHFFFAOYSA-N 1 2 282.344 -1.468 20 0 CAADLO COc1cncc(C(=O)NCC[N@H+](C)CC(N)=O)n1 ZINC001317464629 884203018 /nfs/dbraw/zinc/20/30/18/884203018.db2.gz ZJXZMRKRMQKGHJ-UHFFFAOYSA-N 1 2 267.289 -1.368 20 0 CAADLO COc1cncc(C(=O)NCC[N@@H+](C)CC(N)=O)n1 ZINC001317464629 884203039 /nfs/dbraw/zinc/20/30/39/884203039.db2.gz ZJXZMRKRMQKGHJ-UHFFFAOYSA-N 1 2 267.289 -1.368 20 0 CAADLO CNC(=O)C[N@H+](C)CCNC(=O)[C@H]1CNC(=O)N1 ZINC001317459631 884203330 /nfs/dbraw/zinc/20/33/30/884203330.db2.gz ZIICWYHCUCONKP-SSDOTTSWSA-N 1 2 257.294 -2.538 20 0 CAADLO CNC(=O)C[N@@H+](C)CCNC(=O)[C@H]1CNC(=O)N1 ZINC001317459631 884203349 /nfs/dbraw/zinc/20/33/49/884203349.db2.gz ZIICWYHCUCONKP-SSDOTTSWSA-N 1 2 257.294 -2.538 20 0 CAADLO NC(=O)[C@H]1C[N@H+](CCN2C(=O)CCC2=O)CCO1 ZINC001318084800 884253940 /nfs/dbraw/zinc/25/39/40/884253940.db2.gz LOJFWQLQAUANFG-MRVPVSSYSA-N 1 2 255.274 -1.679 20 0 CAADLO NC(=O)[C@H]1C[N@@H+](CCN2C(=O)CCC2=O)CCO1 ZINC001318084800 884253961 /nfs/dbraw/zinc/25/39/61/884253961.db2.gz LOJFWQLQAUANFG-MRVPVSSYSA-N 1 2 255.274 -1.679 20 0 CAADLO CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)NC(N)=O ZINC001317728462 884236166 /nfs/dbraw/zinc/23/61/66/884236166.db2.gz MHEDBGSMRFBYAB-DTORHVGOSA-N 1 2 254.290 -1.124 20 0 CAADLO CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)NC(N)=O ZINC001317728462 884236182 /nfs/dbraw/zinc/23/61/82/884236182.db2.gz MHEDBGSMRFBYAB-DTORHVGOSA-N 1 2 254.290 -1.124 20 0 CAADLO COCC(=O)NC1C[NH+](C[C@H](O)Cn2cccn2)C1 ZINC001317995716 884246274 /nfs/dbraw/zinc/24/62/74/884246274.db2.gz UMYJQTHSZICHDX-NSHDSACASA-N 1 2 268.317 -1.309 20 0 CAADLO CC(C)(C)NC(=O)C[NH+]1CC(CNC(=O)CC(N)=O)C1 ZINC001318110516 884250984 /nfs/dbraw/zinc/25/09/84/884250984.db2.gz SGWDSGVQGPEHKV-UHFFFAOYSA-N 1 2 284.360 -1.176 20 0 CAADLO CN(C(=O)CC(N)=O)[C@@H]1CC[N@H+](CCS(C)(=O)=O)C1 ZINC001318395808 884278319 /nfs/dbraw/zinc/27/83/19/884278319.db2.gz UUCVASVVQVMGOX-SECBINFHSA-N 1 2 291.373 -1.561 20 0 CAADLO CN(C(=O)CC(N)=O)[C@@H]1CC[N@@H+](CCS(C)(=O)=O)C1 ZINC001318395808 884278338 /nfs/dbraw/zinc/27/83/38/884278338.db2.gz UUCVASVVQVMGOX-SECBINFHSA-N 1 2 291.373 -1.561 20 0 CAADLO CC(C)CNC(=O)[C@H](C)[N@@H+]1CC[C@@H](NC(=O)C(N)=O)C1 ZINC001318351588 884270575 /nfs/dbraw/zinc/27/05/75/884270575.db2.gz PIDYTDLLZKLGRN-VHSXEESVSA-N 1 2 284.360 -1.177 20 0 CAADLO CC(C)CNC(=O)[C@H](C)[N@H+]1CC[C@@H](NC(=O)C(N)=O)C1 ZINC001318351588 884270591 /nfs/dbraw/zinc/27/05/91/884270591.db2.gz PIDYTDLLZKLGRN-VHSXEESVSA-N 1 2 284.360 -1.177 20 0 CAADLO C[C@H](C(=O)N(C)C)[N@H+](C)CCNS(C)(=O)=O ZINC001319534366 884336662 /nfs/dbraw/zinc/33/66/62/884336662.db2.gz HMBLQMKYLYLKGF-MRVPVSSYSA-N 1 2 251.352 -1.056 20 0 CAADLO C[C@H](C(=O)N(C)C)[N@@H+](C)CCNS(C)(=O)=O ZINC001319534366 884336679 /nfs/dbraw/zinc/33/66/79/884336679.db2.gz HMBLQMKYLYLKGF-MRVPVSSYSA-N 1 2 251.352 -1.056 20 0 CAADLO NC(=O)CC(=O)NC[C@@H](O)C[NH2+]Cc1csnn1 ZINC001320202507 884385009 /nfs/dbraw/zinc/38/50/09/884385009.db2.gz OXSSNNKMHGGHPY-ZETCQYMHSA-N 1 2 273.318 -2.020 20 0 CAADLO CCN(CC[NH2+]Cc1ncccn1)C(=O)C(N)=O ZINC001320833227 884450596 /nfs/dbraw/zinc/45/05/96/884450596.db2.gz YKFRNQPXYSQTNK-UHFFFAOYSA-N 1 2 251.290 -1.100 20 0 CAADLO C[C@@H]1C[N@@H+](CCNC(=O)C[C@@H]2NC(=O)NC2=O)CCO1 ZINC001320359748 884417399 /nfs/dbraw/zinc/41/73/99/884417399.db2.gz LVGLSSBXVNZPNZ-BDAKNGLRSA-N 1 2 284.316 -1.579 20 0 CAADLO O=C1NC[C@H]2C[N@@H+]([C@H]3CCC(=O)NC3=O)CCN12 ZINC001320389864 884420308 /nfs/dbraw/zinc/42/03/08/884420308.db2.gz OJAZDZXSPDYSAN-YUMQZZPRSA-N 1 2 252.274 -1.499 20 0 CAADLO O=C1NC[C@H]2C[N@H+]([C@H]3CCC(=O)NC3=O)CCN12 ZINC001320389864 884420316 /nfs/dbraw/zinc/42/03/16/884420316.db2.gz OJAZDZXSPDYSAN-YUMQZZPRSA-N 1 2 252.274 -1.499 20 0 CAADLO Cn1c(CO[NH+]=C(N)CCO)cc(=O)n(C)c1=O ZINC001320493718 884426662 /nfs/dbraw/zinc/42/66/62/884426662.db2.gz FRJWFXPMSCHKGY-UHFFFAOYSA-N 1 2 256.262 -1.535 20 0 CAADLO C[C@@H](C[N@H+](C)CC(=O)N1CCCC1)NC(=O)C(N)=O ZINC001322237662 884545704 /nfs/dbraw/zinc/54/57/04/884545704.db2.gz PLHKCAQXRAFDBZ-VIFPVBQESA-N 1 2 270.333 -1.469 20 0 CAADLO C[C@@H](C[N@@H+](C)CC(=O)N1CCCC1)NC(=O)C(N)=O ZINC001322237662 884545716 /nfs/dbraw/zinc/54/57/16/884545716.db2.gz PLHKCAQXRAFDBZ-VIFPVBQESA-N 1 2 270.333 -1.469 20 0 CAADLO C[C@@H](C[N@H+](C)CC(=O)N1CCCCC1)NC(=O)C(N)=O ZINC001322239332 884546039 /nfs/dbraw/zinc/54/60/39/884546039.db2.gz ZVQHNWCNRNPHNU-JTQLQIEISA-N 1 2 284.360 -1.079 20 0 CAADLO C[C@@H](C[N@@H+](C)CC(=O)N1CCCCC1)NC(=O)C(N)=O ZINC001322239332 884546050 /nfs/dbraw/zinc/54/60/50/884546050.db2.gz ZVQHNWCNRNPHNU-JTQLQIEISA-N 1 2 284.360 -1.079 20 0 CAADLO C[C@H](C(N)=O)[N@@H+](C)C[C@H](C)NC(=O)c1nnc[nH]1 ZINC001322269387 884547415 /nfs/dbraw/zinc/54/74/15/884547415.db2.gz NKKLQTFAIIOGDY-NKWVEPMBSA-N 1 2 254.294 -1.271 20 0 CAADLO C[C@H](C(N)=O)[N@H+](C)C[C@H](C)NC(=O)c1nnc[nH]1 ZINC001322269387 884547427 /nfs/dbraw/zinc/54/74/27/884547427.db2.gz NKKLQTFAIIOGDY-NKWVEPMBSA-N 1 2 254.294 -1.271 20 0 CAADLO C[C@H](C(N)=O)[N@@H+](C)C[C@H](C)NC(=O)c1ncn[nH]1 ZINC001322269387 884547433 /nfs/dbraw/zinc/54/74/33/884547433.db2.gz NKKLQTFAIIOGDY-NKWVEPMBSA-N 1 2 254.294 -1.271 20 0 CAADLO C[C@H](C(N)=O)[N@H+](C)C[C@H](C)NC(=O)c1ncn[nH]1 ZINC001322269387 884547440 /nfs/dbraw/zinc/54/74/40/884547440.db2.gz NKKLQTFAIIOGDY-NKWVEPMBSA-N 1 2 254.294 -1.271 20 0 CAADLO C[C@H](C(N)=O)[N@@H+](C)C[C@H](C)NC(=O)c1nc[nH]n1 ZINC001322269387 884547448 /nfs/dbraw/zinc/54/74/48/884547448.db2.gz NKKLQTFAIIOGDY-NKWVEPMBSA-N 1 2 254.294 -1.271 20 0 CAADLO C[C@H](C(N)=O)[N@H+](C)C[C@H](C)NC(=O)c1nc[nH]n1 ZINC001322269387 884547453 /nfs/dbraw/zinc/54/74/53/884547453.db2.gz NKKLQTFAIIOGDY-NKWVEPMBSA-N 1 2 254.294 -1.271 20 0 CAADLO CNC(=O)C[N@H+](C)C[C@H](C)NC(=O)c1nnc[nH]1 ZINC001322269977 884547541 /nfs/dbraw/zinc/54/75/41/884547541.db2.gz UQMZQADIOUKYMN-ZETCQYMHSA-N 1 2 254.294 -1.399 20 0 CAADLO CNC(=O)C[N@@H+](C)C[C@H](C)NC(=O)c1nnc[nH]1 ZINC001322269977 884547550 /nfs/dbraw/zinc/54/75/50/884547550.db2.gz UQMZQADIOUKYMN-ZETCQYMHSA-N 1 2 254.294 -1.399 20 0 CAADLO COCCS(=O)(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC001322713935 884574461 /nfs/dbraw/zinc/57/44/61/884574461.db2.gz MINATJMSHCKDDZ-SNVBAGLBSA-N 1 2 265.379 -1.202 20 0 CAADLO COCCS(=O)(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC001322713935 884574472 /nfs/dbraw/zinc/57/44/72/884574472.db2.gz MINATJMSHCKDDZ-SNVBAGLBSA-N 1 2 265.379 -1.202 20 0 CAADLO C[C@H](C(=O)N1CC[C@H](C(N)=O)C1)[NH+]1CCN(C)CC1 ZINC001322771573 884576688 /nfs/dbraw/zinc/57/66/88/884576688.db2.gz VDGRMKRFHKBAJF-MNOVXSKESA-N 1 2 268.361 -1.044 20 0 CAADLO C[C@H](CS(C)(=O)=O)NC(=O)C(=O)N(C)CC[NH+](C)C ZINC001323485753 884621249 /nfs/dbraw/zinc/62/12/49/884621249.db2.gz YRXJPQCJOCJFKI-SECBINFHSA-N 1 2 293.389 -1.444 20 0 CAADLO C[C@@H](O)C[NH+]1CC(N(C)C(=O)C(=O)NCC(F)F)C1 ZINC001323945294 884644712 /nfs/dbraw/zinc/64/47/12/884644712.db2.gz KQDCUVJAUOEFCS-SSDOTTSWSA-N 1 2 279.287 -1.109 20 0 CAADLO COCC(=O)NCC1(O)C[NH+](C[C@@H](O)COC)C1 ZINC001325169826 884714204 /nfs/dbraw/zinc/71/42/04/884714204.db2.gz WJUDWOXCIHFNIY-SECBINFHSA-N 1 2 262.306 -2.197 20 0 CAADLO C[C@@H](O)C[NH+]1CC(O)(CNC(=O)C(=O)NCC(F)F)C1 ZINC001325233063 884722474 /nfs/dbraw/zinc/72/24/74/884722474.db2.gz JVSNKWMKIRWMLI-SSDOTTSWSA-N 1 2 295.286 -2.089 20 0 CAADLO CO[C@@H](C[NH3+])CC(=O)NCCCc1n[nH]c(=O)[nH]1 ZINC001326027226 884761143 /nfs/dbraw/zinc/76/11/43/884761143.db2.gz NRUDUHIUVXFXFC-SSDOTTSWSA-N 1 2 257.294 -1.077 20 0 CAADLO C[C@@H](CC(=O)N(CC(N)=O)CC(N)=O)n1cc[nH+]c1 ZINC001326497389 884801639 /nfs/dbraw/zinc/80/16/39/884801639.db2.gz QZCWGMSHANWREI-QMMMGPOBSA-N 1 2 267.289 -1.367 20 0 CAADLO CO[C@@H](C)C[N@@H+]1CCOC[C@@H]1CNC(=O)CC(N)=O ZINC001326618638 884814599 /nfs/dbraw/zinc/81/45/99/884814599.db2.gz ZRXBTWDXBQBSSP-UWVGGRQHSA-N 1 2 273.333 -1.286 20 0 CAADLO CO[C@@H](C)C[N@H+]1CCOC[C@@H]1CNC(=O)CC(N)=O ZINC001326618638 884814613 /nfs/dbraw/zinc/81/46/13/884814613.db2.gz ZRXBTWDXBQBSSP-UWVGGRQHSA-N 1 2 273.333 -1.286 20 0 CAADLO CNS(=O)(=O)C1CC[NH+]([C@H]2CC(=O)NC2=O)CC1 ZINC001327469410 884889801 /nfs/dbraw/zinc/88/98/01/884889801.db2.gz VSZLJGCWRALQCR-QMMMGPOBSA-N 1 2 275.330 -1.585 20 0 CAADLO CCOC(=O)[C@@H](N)C(=O)N[C@H](C)C[NH+]1CCN(C)CC1 ZINC001328456115 884985256 /nfs/dbraw/zinc/98/52/56/884985256.db2.gz VCBOEYZJKPXOLJ-MNOVXSKESA-N 1 2 286.376 -1.371 20 0 CAADLO CCOC(=O)[C@H](N)C(=O)N[C@H](C)C[NH+]1CCN(C)CC1 ZINC001328456112 884988548 /nfs/dbraw/zinc/98/85/48/884988548.db2.gz VCBOEYZJKPXOLJ-GHMZBOCLSA-N 1 2 286.376 -1.371 20 0 CAADLO NC(=O)CCS(=O)(=O)CC[N@@H+]1CCCOCC1 ZINC001329425653 885100500 /nfs/dbraw/zinc/10/05/00/885100500.db2.gz LMLYKBDSVGJHKZ-UHFFFAOYSA-N 1 2 264.347 -1.001 20 0 CAADLO NC(=O)CCS(=O)(=O)CC[N@H+]1CCCOCC1 ZINC001329425653 885100510 /nfs/dbraw/zinc/10/05/10/885100510.db2.gz LMLYKBDSVGJHKZ-UHFFFAOYSA-N 1 2 264.347 -1.001 20 0 CAADLO C[C@@H]1C[N@H+](CCO)CCN1C(=O)CCc1nn[nH]n1 ZINC001329526388 885114288 /nfs/dbraw/zinc/11/42/88/885114288.db2.gz LWKYUPKKMWSQEU-SECBINFHSA-N 1 2 268.321 -1.343 20 0 CAADLO C[C@@H]1C[N@@H+](CCO)CCN1C(=O)CCc1nn[nH]n1 ZINC001329526388 885114299 /nfs/dbraw/zinc/11/42/99/885114299.db2.gz LWKYUPKKMWSQEU-SECBINFHSA-N 1 2 268.321 -1.343 20 0 CAADLO C[N@@H+]1CCO[C@H](C(=O)N[C@@]2(C(N)=O)CCOC2)C1 ZINC001329925761 885156547 /nfs/dbraw/zinc/15/65/47/885156547.db2.gz UUPJKSKXQROLKU-KWQFWETISA-N 1 2 257.290 -1.922 20 0 CAADLO C[N@H+]1CCO[C@H](C(=O)N[C@@]2(C(N)=O)CCOC2)C1 ZINC001329925761 885156561 /nfs/dbraw/zinc/15/65/61/885156561.db2.gz UUPJKSKXQROLKU-KWQFWETISA-N 1 2 257.290 -1.922 20 0 CAADLO Cn1c[nH+]cc1CNC(=O)N1CCO[C@@H](C(N)=O)C1 ZINC001330513941 885199281 /nfs/dbraw/zinc/19/92/81/885199281.db2.gz ZTZASDYOZSDPCR-SECBINFHSA-N 1 2 267.289 -1.184 20 0 CAADLO COC(=O)[C@H](C)NC(=O)[C@H](C)[NH2+]Cc1cn(C)nn1 ZINC001330638134 885214917 /nfs/dbraw/zinc/21/49/17/885214917.db2.gz DQPGUEYOOJMQJA-YUMQZZPRSA-N 1 2 269.305 -1.029 20 0 CAADLO O=C1CCN(CC[NH+]2CCOCC2)C2(COC2)CN1 ZINC001330732801 885222930 /nfs/dbraw/zinc/22/29/30/885222930.db2.gz OIKUAPPQVKIGBO-UHFFFAOYSA-N 1 2 269.345 -1.091 20 0 CAADLO NC(=O)C[C@@H]1C[N@H+](CCN2CCOCC2)CCO1 ZINC001331489784 885278814 /nfs/dbraw/zinc/27/88/14/885278814.db2.gz PTYDAMKPYFZJSH-LLVKDONJSA-N 1 2 257.334 -1.105 20 0 CAADLO NC(=O)C[C@@H]1C[N@@H+](CCN2CCOCC2)CCO1 ZINC001331489784 885278833 /nfs/dbraw/zinc/27/88/33/885278833.db2.gz PTYDAMKPYFZJSH-LLVKDONJSA-N 1 2 257.334 -1.105 20 0 CAADLO O=C(Cn1cc[nH+]c1)N(CCO)CCOCCO ZINC001331783251 885343149 /nfs/dbraw/zinc/34/31/49/885343149.db2.gz HDTOWTZNTIWREO-UHFFFAOYSA-N 1 2 257.290 -1.287 20 0 CAADLO CN(C)C(=O)OCC[N@H+](C)CCS(N)(=O)=O ZINC001331835383 885355628 /nfs/dbraw/zinc/35/56/28/885355628.db2.gz BBLSHHOWKITRKY-UHFFFAOYSA-N 1 2 253.324 -1.095 20 0 CAADLO CN(C)C(=O)OCC[N@@H+](C)CCS(N)(=O)=O ZINC001331835383 885355646 /nfs/dbraw/zinc/35/56/46/885355646.db2.gz BBLSHHOWKITRKY-UHFFFAOYSA-N 1 2 253.324 -1.095 20 0 CAADLO CC[C@H]([NH3+])CNC(=O)Cn1[nH]cc2c(=O)ncnc1-2 ZINC001332434623 885411030 /nfs/dbraw/zinc/41/10/30/885411030.db2.gz CKHXMZANGIGNCI-ZETCQYMHSA-N 1 2 264.289 -1.075 20 0 CAADLO NC(=O)NCCNC(=O)/C=C/C[NH+]1CCOCC1 ZINC001332590296 885424058 /nfs/dbraw/zinc/42/40/58/885424058.db2.gz DFZQKXFLTZAHGT-OWOJBTEDSA-N 1 2 256.306 -1.341 20 0 CAADLO COC[C@@H]1C[C@@H](O)CN1C(=O)C(=O)N1CC[NH+](C)CC1 ZINC001332674724 885433469 /nfs/dbraw/zinc/43/34/69/885433469.db2.gz FCNSAVJFCUAJJR-WDEREUQCSA-N 1 2 285.344 -1.631 20 0 CAADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)C[C@@H]1CC(=O)NC1=O ZINC001332820348 885438370 /nfs/dbraw/zinc/43/83/70/885438370.db2.gz GEDFVYYWPCXEKM-VHSXEESVSA-N 1 2 283.328 -1.124 20 0 CAADLO CNC(=O)Cn1cc(CC[NH+]2CCOCC2)nn1 ZINC001333105742 885457931 /nfs/dbraw/zinc/45/79/31/885457931.db2.gz ADRQUMMESNUFTN-UHFFFAOYSA-N 1 2 253.306 -1.101 20 0 CAADLO O=C1CC[N@@H+](C[C@@H]2COCCO2)C2(COC2)CN1 ZINC001333084266 885457386 /nfs/dbraw/zinc/45/73/86/885457386.db2.gz JJURAHPAAWZRCP-SNVBAGLBSA-N 1 2 256.302 -1.007 20 0 CAADLO C[C@H]1COCC[N@H+]1CCNC(=O)C[C@H]1CC(=O)NC1=O ZINC001333238512 885463894 /nfs/dbraw/zinc/46/38/94/885463894.db2.gz NUQWSIQKCGLJPW-UWVGGRQHSA-N 1 2 283.328 -1.124 20 0 CAADLO NC(=O)CN1CC[N@H+](C[C@H]2CNC(=O)C2)CC1=O ZINC001333605275 885493364 /nfs/dbraw/zinc/49/33/64/885493364.db2.gz LMKUYQOMXFUNSJ-MRVPVSSYSA-N 1 2 254.290 -2.248 20 0 CAADLO NC(=O)CN1CC[N@@H+](C[C@H]2CNC(=O)C2)CC1=O ZINC001333605275 885493373 /nfs/dbraw/zinc/49/33/73/885493373.db2.gz LMKUYQOMXFUNSJ-MRVPVSSYSA-N 1 2 254.290 -2.248 20 0 CAADLO C[C@@H](NC(=O)Cc1[nH]cc[nH+]1)[C@@H](C)NC(=O)C(N)=O ZINC001333950184 885512337 /nfs/dbraw/zinc/51/23/37/885512337.db2.gz GJDWUXDACBXVLF-RNFRBKRXSA-N 1 2 267.289 -1.553 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@@H](NC(=O)[C@H](O)C2CC2)C1 ZINC001334034947 885521443 /nfs/dbraw/zinc/52/14/43/885521443.db2.gz UBNFGOYJXKOQLM-MWLCHTKSSA-N 1 2 255.318 -1.177 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@@H](NC(=O)[C@H](O)C2CC2)C1 ZINC001334034947 885521455 /nfs/dbraw/zinc/52/14/55/885521455.db2.gz UBNFGOYJXKOQLM-MWLCHTKSSA-N 1 2 255.318 -1.177 20 0 CAADLO COC[C@@H](O)CNS(=O)(=O)CCn1cc[nH+]c1 ZINC001334851010 885567633 /nfs/dbraw/zinc/56/76/33/885567633.db2.gz KJAPWCLQYKFCFZ-VIFPVBQESA-N 1 2 263.319 -1.190 20 0 CAADLO NC(=O)C1(C(=O)NCC[N@@H+]2CCC3(C2)OCCO3)CC1 ZINC001334733298 885560320 /nfs/dbraw/zinc/56/03/20/885560320.db2.gz OKLDDBRYXYPAEE-UHFFFAOYSA-N 1 2 283.328 -1.183 20 0 CAADLO NC(=O)C1(C(=O)NCC[N@H+]2CCC3(C2)OCCO3)CC1 ZINC001334733298 885560330 /nfs/dbraw/zinc/56/03/30/885560330.db2.gz OKLDDBRYXYPAEE-UHFFFAOYSA-N 1 2 283.328 -1.183 20 0 CAADLO C[N@@H+]1CC[C@H]1CNC(=O)C(=O)N1C[C@@H]2C[C@H]1C[S@@]2=O ZINC001335074796 885580267 /nfs/dbraw/zinc/58/02/67/885580267.db2.gz IKTSNDILFAMAMY-LZPKXATBSA-N 1 2 285.369 -1.462 20 0 CAADLO C[N@H+]1CC[C@H]1CNC(=O)C(=O)N1C[C@@H]2C[C@H]1C[S@@]2=O ZINC001335074796 885580279 /nfs/dbraw/zinc/58/02/79/885580279.db2.gz IKTSNDILFAMAMY-LZPKXATBSA-N 1 2 285.369 -1.462 20 0 CAADLO CNC(=O)[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CCO1 ZINC001334918330 885570907 /nfs/dbraw/zinc/57/09/07/885570907.db2.gz LUMCMRRMIMGYOL-VIFPVBQESA-N 1 2 252.274 -1.074 20 0 CAADLO O=C(CO)NCCC(=O)N1CC(n2cc[nH+]c2)C1 ZINC001334918080 885572963 /nfs/dbraw/zinc/57/29/63/885572963.db2.gz HGFATTFXPPCKSG-UHFFFAOYSA-N 1 2 252.274 -1.235 20 0 CAADLO C[N@H+]1CC[C@@](O)(C[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)C1 ZINC001336000073 885643899 /nfs/dbraw/zinc/64/38/99/885643899.db2.gz JKBQWWPTJQVGDP-ZIAGYGMSSA-N 1 2 286.420 -1.749 20 0 CAADLO COC(=O)c1cn([C@@H]2CC[N@H+](CC(N)=O)C2)nn1 ZINC001337874197 885728908 /nfs/dbraw/zinc/72/89/08/885728908.db2.gz UECRFEVDAOFGHP-SSDOTTSWSA-N 1 2 253.262 -1.203 20 0 CAADLO COC(=O)c1cn([C@@H]2CC[N@@H+](CC(N)=O)C2)nn1 ZINC001337874197 885728925 /nfs/dbraw/zinc/72/89/25/885728925.db2.gz UECRFEVDAOFGHP-SSDOTTSWSA-N 1 2 253.262 -1.203 20 0 CAADLO C[C@@H](O)C[N@H+](Cc1nc(N)nc(N)n1)[C@H](C)CO ZINC001338723561 885756148 /nfs/dbraw/zinc/75/61/48/885756148.db2.gz IAEKJTPRCNBZJN-RNFRBKRXSA-N 1 2 256.310 -1.400 20 0 CAADLO C[C@@H](O)C[N@@H+](Cc1nc(N)nc(N)n1)[C@H](C)CO ZINC001338723561 885756158 /nfs/dbraw/zinc/75/61/58/885756158.db2.gz IAEKJTPRCNBZJN-RNFRBKRXSA-N 1 2 256.310 -1.400 20 0 CAADLO C[NH+]1CCN(C(=O)[C@@]2(C(=O)[O-])C[NH2+]CCO2)CC1 ZINC001340894027 885821142 /nfs/dbraw/zinc/82/11/42/885821142.db2.gz OANGKGBXJXXSBY-LLVKDONJSA-N 1 2 257.290 -1.796 20 0 CAADLO C[C@@H](C(=O)N[C@H]1C[C@H](CO)C1)N1CC[NH2+]CC1=O ZINC001341278035 885830256 /nfs/dbraw/zinc/83/02/56/885830256.db2.gz UMCARPXEFFACMK-GUBZILKMSA-N 1 2 255.318 -1.306 20 0 CAADLO NC(=O)[C@@H]1CN(C(=O)C[C@H]([NH3+])C(F)F)CCO1 ZINC001341520696 885844885 /nfs/dbraw/zinc/84/48/85/885844885.db2.gz JRBYZFHSDOZORI-WDSKDSINSA-N 1 2 251.233 -1.318 20 0 CAADLO NC(=O)[C@@H]1CN(C(=O)C[C@@H]([NH3+])C(F)F)CCO1 ZINC001341520695 885845272 /nfs/dbraw/zinc/84/52/72/885845272.db2.gz JRBYZFHSDOZORI-RITPCOANSA-N 1 2 251.233 -1.318 20 0 CAADLO COC(=O)c1cnoc1C[N@@H+]1CC[C@](O)(C(N)=O)C1 ZINC001342932387 885900172 /nfs/dbraw/zinc/90/01/72/885900172.db2.gz UVVGMALGLZYJLA-LLVKDONJSA-N 1 2 269.257 -1.117 20 0 CAADLO COC(=O)c1cnoc1C[N@H+]1CC[C@](O)(C(N)=O)C1 ZINC001342932387 885900185 /nfs/dbraw/zinc/90/01/85/885900185.db2.gz UVVGMALGLZYJLA-LLVKDONJSA-N 1 2 269.257 -1.117 20 0 CAADLO CN1C[C@H](C(=O)NCCCn2cc[nH+]c2)NCC1=O ZINC001343339670 885911137 /nfs/dbraw/zinc/91/11/37/885911137.db2.gz LNXFKRSZFBTRHB-SNVBAGLBSA-N 1 2 265.317 -1.180 20 0 CAADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)Cn1ncnn1 ZINC001346182431 885989070 /nfs/dbraw/zinc/98/90/70/885989070.db2.gz VNRVWPNEWBTLTB-VIFPVBQESA-N 1 2 254.294 -1.490 20 0 CAADLO CC1(C)COCC[N@@H+]1CCNC(=O)Cn1ncnn1 ZINC001346439377 886005450 /nfs/dbraw/zinc/00/54/50/886005450.db2.gz LIPIVCWXGMWXAQ-UHFFFAOYSA-N 1 2 268.321 -1.100 20 0 CAADLO CC1(C)COCC[N@H+]1CCNC(=O)Cn1ncnn1 ZINC001346439377 886005459 /nfs/dbraw/zinc/00/54/59/886005459.db2.gz LIPIVCWXGMWXAQ-UHFFFAOYSA-N 1 2 268.321 -1.100 20 0 CAADLO CCOC(=O)[C@@H](N)C(=O)N[C@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001347157185 886029613 /nfs/dbraw/zinc/02/96/13/886029613.db2.gz IGWYNJONVTYHPC-WPRPVWTQSA-N 1 2 286.332 -2.057 20 0 CAADLO CS(=O)(=O)NCCCNC(=O)Cn1cc[nH+]c1 ZINC001347459815 886038769 /nfs/dbraw/zinc/03/87/69/886038769.db2.gz IBMJWEPHZVMZGE-UHFFFAOYSA-N 1 2 260.319 -1.061 20 0 CAADLO CC[NH+]1CCN(C(=O)C(=O)NC[C@H](COC)OC)CC1 ZINC001347209263 886033221 /nfs/dbraw/zinc/03/32/21/886033221.db2.gz IEVFPCHJRWOVNT-LLVKDONJSA-N 1 2 287.360 -1.072 20 0 CAADLO NC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2CCCN2C=O)CC1 ZINC001347395418 886036643 /nfs/dbraw/zinc/03/66/43/886036643.db2.gz PCYCPVDDPYZFKL-NSHDSACASA-N 1 2 282.344 -1.373 20 0 CAADLO NC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2CCCN2C=O)CC1 ZINC001347395418 886036660 /nfs/dbraw/zinc/03/66/60/886036660.db2.gz PCYCPVDDPYZFKL-NSHDSACASA-N 1 2 282.344 -1.373 20 0 CAADLO COC(=O)CNC(=O)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001347765432 886053005 /nfs/dbraw/zinc/05/30/05/886053005.db2.gz ZWEUHIMVOLBDAF-UHFFFAOYSA-N 1 2 254.246 -1.642 20 0 CAADLO C[C@H](NC(=O)Cn1ncnn1)[C@H]1CN(C)CC[N@@H+]1C ZINC001347789463 886054317 /nfs/dbraw/zinc/05/43/17/886054317.db2.gz YEMZYWRUVJMBOD-VHSXEESVSA-N 1 2 267.337 -1.576 20 0 CAADLO C[C@H](NC(=O)Cn1ncnn1)[C@H]1CN(C)CC[N@H+]1C ZINC001347789463 886054328 /nfs/dbraw/zinc/05/43/28/886054328.db2.gz YEMZYWRUVJMBOD-VHSXEESVSA-N 1 2 267.337 -1.576 20 0 CAADLO C[C@@H](NC(=O)Cn1ncnn1)[C@H]1CN(C)CC[N@@H+]1C ZINC001347789458 886054635 /nfs/dbraw/zinc/05/46/35/886054635.db2.gz YEMZYWRUVJMBOD-NXEZZACHSA-N 1 2 267.337 -1.576 20 0 CAADLO C[C@@H](NC(=O)Cn1ncnn1)[C@H]1CN(C)CC[N@H+]1C ZINC001347789458 886054643 /nfs/dbraw/zinc/05/46/43/886054643.db2.gz YEMZYWRUVJMBOD-NXEZZACHSA-N 1 2 267.337 -1.576 20 0 CAADLO Cn1cc[nH+]c1CCNC(=O)[C@H]1OCCN(C)C1=O ZINC001348267195 886069394 /nfs/dbraw/zinc/06/93/94/886069394.db2.gz VTIXYKKXLDVOJD-SNVBAGLBSA-N 1 2 266.301 -1.064 20 0 CAADLO NC(=O)[C@@H]1C[C@@H](O)C[N@@H+]1CCn1ccccc1=O ZINC001348086630 886061744 /nfs/dbraw/zinc/06/17/44/886061744.db2.gz QZYQFJZDQMSXAS-ZJUUUORDSA-N 1 2 251.286 -1.231 20 0 CAADLO NC(=O)[C@@H]1C[C@@H](O)C[N@H+]1CCn1ccccc1=O ZINC001348086630 886061748 /nfs/dbraw/zinc/06/17/48/886061748.db2.gz QZYQFJZDQMSXAS-ZJUUUORDSA-N 1 2 251.286 -1.231 20 0 CAADLO NC(=O)COCCNC(=O)/C=C\C[NH+]1CCOCC1 ZINC001348561941 886092966 /nfs/dbraw/zinc/09/29/66/886092966.db2.gz UIVPSOPYTHTHOG-UPHRSURJSA-N 1 2 271.317 -1.507 20 0 CAADLO CS(=O)(=O)CC(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC001348395902 886078996 /nfs/dbraw/zinc/07/89/96/886078996.db2.gz DITVVGXYLAAMBJ-VIFPVBQESA-N 1 2 291.373 -1.513 20 0 CAADLO C[NH2+]CCNC(=O)Cn1[nH]cc2c(=O)ncnc1-2 ZINC001349151786 886116616 /nfs/dbraw/zinc/11/66/16/886116616.db2.gz BWBRPGKBCWLQHO-UHFFFAOYSA-N 1 2 250.262 -1.593 20 0 CAADLO C[C@H]1COCC[N@@H+]1CCNC(=O)[C@H]1COC(=O)N1 ZINC001350578511 886178547 /nfs/dbraw/zinc/17/85/47/886178547.db2.gz FQVMIYBLWMBBOX-DTWKUNHWSA-N 1 2 257.290 -1.068 20 0 CAADLO C[C@H]1COCC[N@H+]1CCNC(=O)[C@H]1COC(=O)N1 ZINC001350578511 886178555 /nfs/dbraw/zinc/17/85/55/886178555.db2.gz FQVMIYBLWMBBOX-DTWKUNHWSA-N 1 2 257.290 -1.068 20 0 CAADLO O=C(CO)NCCC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC001350729468 886184144 /nfs/dbraw/zinc/18/41/44/886184144.db2.gz WYVXVIAXXJEPIA-VIFPVBQESA-N 1 2 266.301 -1.187 20 0 CAADLO CON(C)C(=O)[C@@H](C)[NH2+]Cc1cn(CC(N)=O)nn1 ZINC001351344135 886207745 /nfs/dbraw/zinc/20/77/45/886207745.db2.gz WZFNLPAMPDSDNV-SSDOTTSWSA-N 1 2 270.293 -1.739 20 0 CAADLO CNC(=O)[C@H]1C[N@H+](CCc2cn(C)nn2)CCO1 ZINC001351382300 886209672 /nfs/dbraw/zinc/20/96/72/886209672.db2.gz ULYJXLUFCUOIKM-SNVBAGLBSA-N 1 2 253.306 -1.196 20 0 CAADLO CNC(=O)[C@H]1C[N@@H+](CCc2cn(C)nn2)CCO1 ZINC001351382300 886209690 /nfs/dbraw/zinc/20/96/90/886209690.db2.gz ULYJXLUFCUOIKM-SNVBAGLBSA-N 1 2 253.306 -1.196 20 0 CAADLO COC(=O)Cn1cc(C[NH2+][C@@H]2COC[C@@H]2O)nn1 ZINC001352860456 886250578 /nfs/dbraw/zinc/25/05/78/886250578.db2.gz DIEZPCWYIMENSQ-BDAKNGLRSA-N 1 2 256.262 -1.700 20 0 CAADLO CN1CC[N@H+](C)[C@H](CNC(=O)CCn2cnnn2)C1 ZINC001353994264 886299132 /nfs/dbraw/zinc/29/91/32/886299132.db2.gz NLAZPQFVHXFQPJ-SNVBAGLBSA-N 1 2 267.337 -1.575 20 0 CAADLO CN1CC[N@@H+](C)[C@H](CNC(=O)CCn2cnnn2)C1 ZINC001353994264 886299142 /nfs/dbraw/zinc/29/91/42/886299142.db2.gz NLAZPQFVHXFQPJ-SNVBAGLBSA-N 1 2 267.337 -1.575 20 0 CAADLO CCN(CCNC(=O)C(N)=O)C(=O)Cc1[nH]c[nH+]c1C ZINC001356187905 886358661 /nfs/dbraw/zinc/35/86/61/886358661.db2.gz RSKMBWXZGVZQEH-UHFFFAOYSA-N 1 2 281.316 -1.289 20 0 CAADLO C[NH+]1CCN(C(=O)C(=O)N2CCOC[C@@H]2CCO)CC1 ZINC001356415285 886363694 /nfs/dbraw/zinc/36/36/94/886363694.db2.gz ADFZXBWJHZJBLI-NSHDSACASA-N 1 2 285.344 -1.630 20 0 CAADLO NC(=O)CC(=O)NC[C@@H](O)CNC(=O)Cn1cc[nH+]c1 ZINC001357400500 886405413 /nfs/dbraw/zinc/40/54/13/886405413.db2.gz SNZKNMHHSNYMBJ-MRVPVSSYSA-N 1 2 283.288 -2.648 20 0 CAADLO CN1CC[N@H+](C)[C@H](CNC(=O)CCCS(N)(=O)=O)C1 ZINC001362147838 886549050 /nfs/dbraw/zinc/54/90/50/886549050.db2.gz PBRBMUCROPTIAV-SNVBAGLBSA-N 1 2 292.405 -1.583 20 0 CAADLO CN1CC[N@@H+](C)[C@H](CNC(=O)CCCS(N)(=O)=O)C1 ZINC001362147838 886549059 /nfs/dbraw/zinc/54/90/59/886549059.db2.gz PBRBMUCROPTIAV-SNVBAGLBSA-N 1 2 292.405 -1.583 20 0 CAADLO COC[C@H](NC(=O)[C@@H](c1c[nH+]cn1C)N(C)C)C(N)=O ZINC001362502545 886630896 /nfs/dbraw/zinc/63/08/96/886630896.db2.gz RVMIADUOBOXGPJ-WCBMZHEXSA-N 1 2 283.332 -1.361 20 0 CAADLO C[C@@H](NS(C)(=O)=O)C(=O)N[C@@H](CO)c1c[nH+]cn1C ZINC001362717542 886686222 /nfs/dbraw/zinc/68/62/22/886686222.db2.gz HLSDXXHXJVNTEP-SFYZADRCSA-N 1 2 290.345 -1.493 20 0 CAADLO CC[N@@H+]1CC[C@@H]1C(=O)N1CC(=O)N(C)C[C@@H]1C(=O)OC ZINC001363043013 886776625 /nfs/dbraw/zinc/77/66/25/886776625.db2.gz VIRKKIPCAORSGH-NXEZZACHSA-N 1 2 283.328 -1.077 20 0 CAADLO CC[N@H+]1CC[C@@H]1C(=O)N1CC(=O)N(C)C[C@@H]1C(=O)OC ZINC001363043013 886776638 /nfs/dbraw/zinc/77/66/38/886776638.db2.gz VIRKKIPCAORSGH-NXEZZACHSA-N 1 2 283.328 -1.077 20 0 CAADLO NS(=O)(=O)[C@H]1CC[N@H+](C[C@@H]2CCS(=O)(=O)C2)C1 ZINC001363213304 886829770 /nfs/dbraw/zinc/82/97/70/886829770.db2.gz VEKHLDJOUAFRRV-IUCAKERBSA-N 1 2 282.387 -1.216 20 0 CAADLO NS(=O)(=O)[C@H]1CC[N@@H+](C[C@@H]2CCS(=O)(=O)C2)C1 ZINC001363213304 886829783 /nfs/dbraw/zinc/82/97/83/886829783.db2.gz VEKHLDJOUAFRRV-IUCAKERBSA-N 1 2 282.387 -1.216 20 0 CAADLO O=C(NC[C@@H](O)CO)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001363803041 886983191 /nfs/dbraw/zinc/98/31/91/886983191.db2.gz FOXPSPZRHFKJQZ-UTUOFQBUSA-N 1 2 288.344 -1.664 20 0 CAADLO C[C@H](NC(=O)C[NH2+][C@@]1(C(N)=O)CCOC1)C(=O)N(C)C ZINC001363810328 886987862 /nfs/dbraw/zinc/98/78/62/886987862.db2.gz VQQCUBXOZKZPQA-UFBFGSQYSA-N 1 2 286.332 -2.187 20 0 CAADLO C[C@H](NC(=O)C[NH2+][C@]1(C(N)=O)CCOC1)C(=O)N(C)C ZINC001363810303 886989158 /nfs/dbraw/zinc/98/91/58/886989158.db2.gz VQQCUBXOZKZPQA-QPUJVOFHSA-N 1 2 286.332 -2.187 20 0 CAADLO CC(C)(O)C[C@H](O)C[NH+]1CCN(S(N)(=O)=O)CC1 ZINC001363819313 886991532 /nfs/dbraw/zinc/99/15/32/886991532.db2.gz QZSTYFLJARHWJB-VIFPVBQESA-N 1 2 281.378 -1.671 20 0 CAADLO CCCNC(=O)C[N@@H+]1CCN2CCOC[C@]2(CO)C1 ZINC001363845353 886995825 /nfs/dbraw/zinc/99/58/25/886995825.db2.gz MZMIACGXSIRVCT-CYBMUJFWSA-N 1 2 271.361 -1.109 20 0 CAADLO CCCNC(=O)C[N@H+]1CCN2CCOC[C@]2(CO)C1 ZINC001363845353 886995829 /nfs/dbraw/zinc/99/58/29/886995829.db2.gz MZMIACGXSIRVCT-CYBMUJFWSA-N 1 2 271.361 -1.109 20 0 CAADLO C[C@@H](NS(=O)(=O)N1CC[NH+](C)CC1)c1nc[nH]n1 ZINC001363979888 887011566 /nfs/dbraw/zinc/01/15/66/887011566.db2.gz MQSMTUYTHMGUNZ-MRVPVSSYSA-N 1 2 274.350 -1.053 20 0 CAADLO CO[C@]1(CNS(=O)(=O)N2CC[NH+](C)CC2)CCOC1 ZINC001363978867 887013194 /nfs/dbraw/zinc/01/31/94/887013194.db2.gz MNWLJKUWZYXIMH-NSHDSACASA-N 1 2 293.389 -1.126 20 0 CAADLO COC(=O)[C@@H]1C[C@@H]1CNS(=O)(=O)N1CC[NH+](C)CC1 ZINC001364082873 887029298 /nfs/dbraw/zinc/02/92/98/887029298.db2.gz PEPUCNCDPKOZLZ-NXEZZACHSA-N 1 2 291.373 -1.123 20 0 CAADLO CNC(=O)Cc1noc(C[N@@H+]2C[C@@H](O)C[C@]2(C)CO)n1 ZINC001364450215 887085823 /nfs/dbraw/zinc/08/58/23/887085823.db2.gz MTZZJABJRUPSMK-QPUJVOFHSA-N 1 2 284.316 -1.324 20 0 CAADLO CNC(=O)Cc1noc(C[N@H+]2C[C@@H](O)C[C@]2(C)CO)n1 ZINC001364450215 887085853 /nfs/dbraw/zinc/08/58/53/887085853.db2.gz MTZZJABJRUPSMK-QPUJVOFHSA-N 1 2 284.316 -1.324 20 0 CAADLO O=S1(=O)CCC(O)(C[N@H+]2CC[C@@H](O)[C@@H](O)C2)CC1 ZINC001364473539 887096651 /nfs/dbraw/zinc/09/66/51/887096651.db2.gz GUZLMTZAHVCOAT-ZJUUUORDSA-N 1 2 279.358 -1.646 20 0 CAADLO O=S1(=O)CCC(O)(C[N@@H+]2CC[C@@H](O)[C@@H](O)C2)CC1 ZINC001364473539 887096665 /nfs/dbraw/zinc/09/66/65/887096665.db2.gz GUZLMTZAHVCOAT-ZJUUUORDSA-N 1 2 279.358 -1.646 20 0 CAADLO NC(=O)N[C@H]1CC[N@H+](CC2(O)CCS(=O)(=O)CC2)C1 ZINC001364379523 887073920 /nfs/dbraw/zinc/07/39/20/887073920.db2.gz ASSRVVPSXHHJOJ-VIFPVBQESA-N 1 2 291.373 -1.331 20 0 CAADLO NC(=O)N[C@H]1CC[N@@H+](CC2(O)CCS(=O)(=O)CC2)C1 ZINC001364379523 887073938 /nfs/dbraw/zinc/07/39/38/887073938.db2.gz ASSRVVPSXHHJOJ-VIFPVBQESA-N 1 2 291.373 -1.331 20 0 CAADLO CCOC(=O)[C@@H](CO)NS(=O)(=O)N1CC[NH+](C)CC1 ZINC001364810282 887138950 /nfs/dbraw/zinc/13/89/50/887138950.db2.gz QWFQWDCKAUIACL-SECBINFHSA-N 1 2 295.361 -2.008 20 0 CAADLO CC(C)N(C[C@H](O)CO)S(=O)(=O)N1CC[NH+](C)CC1 ZINC001364892627 887151368 /nfs/dbraw/zinc/15/13/68/887151368.db2.gz XFFHUYCGVGFPFE-NSHDSACASA-N 1 2 295.405 -1.458 20 0 CAADLO C[C@H]1CC[N@H+](CC(=O)NC[C@H](O)CS(C)(=O)=O)C1 ZINC001365065376 887167158 /nfs/dbraw/zinc/16/71/58/887167158.db2.gz OPOIXFQOCPJERZ-UWVGGRQHSA-N 1 2 278.374 -1.150 20 0 CAADLO C[C@H]1CC[N@@H+](CC(=O)NC[C@H](O)CS(C)(=O)=O)C1 ZINC001365065376 887167172 /nfs/dbraw/zinc/16/71/72/887167172.db2.gz OPOIXFQOCPJERZ-UWVGGRQHSA-N 1 2 278.374 -1.150 20 0 CAADLO CN(C)C(=O)N[C@@H]1CCC[N@H+](CC(=O)NC(N)=O)C1 ZINC001365310586 887190923 /nfs/dbraw/zinc/19/09/23/887190923.db2.gz QZXGQQMYCSJARZ-MRVPVSSYSA-N 1 2 271.321 -1.083 20 0 CAADLO CN(C)C(=O)N[C@@H]1CCC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001365310586 887190929 /nfs/dbraw/zinc/19/09/29/887190929.db2.gz QZXGQQMYCSJARZ-MRVPVSSYSA-N 1 2 271.321 -1.083 20 0 CAADLO Cc1noc(CNS(=O)(=O)N2CC[NH+](C)CC2)n1 ZINC001365400335 887205947 /nfs/dbraw/zinc/20/59/47/887205947.db2.gz KWORJXBXYMIYTL-UHFFFAOYSA-N 1 2 275.334 -1.040 20 0 CAADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)N1C[C@@H](O)[C@H](CO)C1 ZINC001365556606 887222283 /nfs/dbraw/zinc/22/22/83/887222283.db2.gz YCHRFNHGTRQCHT-GRYCIOLGSA-N 1 2 287.360 -1.298 20 0 CAADLO C[C@@H]1COCC[N@H+]1CCNC(=O)N1C[C@@H](O)[C@H](CO)C1 ZINC001365556606 887222298 /nfs/dbraw/zinc/22/22/98/887222298.db2.gz YCHRFNHGTRQCHT-GRYCIOLGSA-N 1 2 287.360 -1.298 20 0 CAADLO COC(=O)[C@H](C)N(C)S(=O)(=O)N1CC[NH+](C)CC1 ZINC001365722203 887241033 /nfs/dbraw/zinc/24/10/33/887241033.db2.gz SUXQSBCCIWHTPV-VIFPVBQESA-N 1 2 279.362 -1.028 20 0 CAADLO CCC(=O)NCC(=O)N[C@H]1CC[N@H+](CC(=O)NC)C1 ZINC001365971718 887258283 /nfs/dbraw/zinc/25/82/83/887258283.db2.gz MWWBRBHCWQLIGO-VIFPVBQESA-N 1 2 270.333 -1.551 20 0 CAADLO CCC(=O)NCC(=O)N[C@H]1CC[N@@H+](CC(=O)NC)C1 ZINC001365971718 887258302 /nfs/dbraw/zinc/25/83/02/887258302.db2.gz MWWBRBHCWQLIGO-VIFPVBQESA-N 1 2 270.333 -1.551 20 0 CAADLO CC(C)NC(=O)C[N@@H+](C)CCNC(=O)CCNC(N)=O ZINC001366587423 887323160 /nfs/dbraw/zinc/32/31/60/887323160.db2.gz TVGUEUUYBXZPNN-UHFFFAOYSA-N 1 2 287.364 -1.383 20 0 CAADLO C[C@@H](CC(=O)NCC1C[NH+](CC(=O)N(C)C)C1)NC(N)=O ZINC001366963056 887350450 /nfs/dbraw/zinc/35/04/50/887350450.db2.gz MJQHCDLKCFHGBH-VIFPVBQESA-N 1 2 299.375 -1.431 20 0 CAADLO C[C@H](C(=O)NCC1C[NH+](CC(N)=O)C1)[C@@H]1CCC(=O)N1 ZINC001366977109 887355725 /nfs/dbraw/zinc/35/57/25/887355725.db2.gz PHFHQFMTGBEAMQ-WPRPVWTQSA-N 1 2 282.344 -1.566 20 0 CAADLO CNC(=O)C[N@H+](C)CCN(C)C(=O)Cc1nnc(C)[nH]1 ZINC001367515540 887387977 /nfs/dbraw/zinc/38/79/77/887387977.db2.gz WTDLLZNHKAPULW-UHFFFAOYSA-N 1 2 282.348 -1.208 20 0 CAADLO CNC(=O)C[N@@H+](C)CCN(C)C(=O)Cc1nnc(C)[nH]1 ZINC001367515540 887387994 /nfs/dbraw/zinc/38/79/94/887387994.db2.gz WTDLLZNHKAPULW-UHFFFAOYSA-N 1 2 282.348 -1.208 20 0 CAADLO COCCc1noc(C[NH2+]C[C@@H](O)CNC(C)=O)n1 ZINC001367559349 887385358 /nfs/dbraw/zinc/38/53/58/887385358.db2.gz GKIJQADNUUUGDQ-SECBINFHSA-N 1 2 272.305 -1.155 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(N(C)C(=O)c2ncn(C)n2)C1 ZINC001368076637 887452145 /nfs/dbraw/zinc/45/21/45/887452145.db2.gz ZTLPWFFCYDKEMO-JTQLQIEISA-N 1 2 283.332 -1.421 20 0 CAADLO CO[C@H](C)C[NH+]1CC(O)(CNC(=O)[C@@H](C)NC(C)=O)C1 ZINC001368281393 887465928 /nfs/dbraw/zinc/46/59/28/887465928.db2.gz TVCLUFYJSPOHIL-NXEZZACHSA-N 1 2 287.360 -1.291 20 0 CAADLO CO[C@@H](C)C[NH+]1CC(O)(CNC(=O)c2cnon2)C1 ZINC001368315627 887477197 /nfs/dbraw/zinc/47/71/97/887477197.db2.gz SQOFCWKAHSMYST-QMMMGPOBSA-N 1 2 270.289 -1.119 20 0 CAADLO Cn1cc(C(=O)NCC2(O)C[NH+](CCCO)C2)[nH]c1=O ZINC001368307613 887477595 /nfs/dbraw/zinc/47/75/95/887477595.db2.gz MLJWSWUPSBOYBB-UHFFFAOYSA-N 1 2 284.316 -1.715 20 0 CAADLO COC[C@H](O)C[NH+]1CC(O)(CNC(=O)[C@H](O)C(C)C)C1 ZINC001368296644 887473439 /nfs/dbraw/zinc/47/34/39/887473439.db2.gz IETRFEDIEPQUAP-GHMZBOCLSA-N 1 2 290.360 -1.827 20 0 CAADLO COC[C@H](O)C[NH+]1CC(O)(CNC(=O)[C@@H](C)OC)C1 ZINC001368292320 887473680 /nfs/dbraw/zinc/47/36/80/887473680.db2.gz PNXBZBJMPSATOS-NXEZZACHSA-N 1 2 276.333 -1.809 20 0 CAADLO CN(C[C@@H]1CC[N@@H+]1CCF)C(=O)CN1CCNC(=O)C1 ZINC001368405177 887488005 /nfs/dbraw/zinc/48/80/05/887488005.db2.gz OKUXAELFZKKOAR-NSHDSACASA-N 1 2 286.351 -1.080 20 0 CAADLO CN(C[C@@H]1CC[N@H+]1CCF)C(=O)CN1CCNC(=O)C1 ZINC001368405177 887488013 /nfs/dbraw/zinc/48/80/13/887488013.db2.gz OKUXAELFZKKOAR-NSHDSACASA-N 1 2 286.351 -1.080 20 0 CAADLO CNC(=O)C[N@H+](C)[C@H](C)CNC(=O)CCc1cn[nH]n1 ZINC001368991501 887514871 /nfs/dbraw/zinc/51/48/71/887514871.db2.gz ROUUYAKLBMIYLV-SECBINFHSA-N 1 2 282.348 -1.080 20 0 CAADLO CNC(=O)C[N@@H+](C)[C@H](C)CNC(=O)CCc1cn[nH]n1 ZINC001368991501 887514879 /nfs/dbraw/zinc/51/48/79/887514879.db2.gz ROUUYAKLBMIYLV-SECBINFHSA-N 1 2 282.348 -1.080 20 0 CAADLO CNC(=O)C[N@H+](C)[C@H](C)CNC(=O)CCc1c[nH]nn1 ZINC001368991501 887514887 /nfs/dbraw/zinc/51/48/87/887514887.db2.gz ROUUYAKLBMIYLV-SECBINFHSA-N 1 2 282.348 -1.080 20 0 CAADLO CNC(=O)C[N@@H+](C)[C@H](C)CNC(=O)CCc1c[nH]nn1 ZINC001368991501 887514895 /nfs/dbraw/zinc/51/48/95/887514895.db2.gz ROUUYAKLBMIYLV-SECBINFHSA-N 1 2 282.348 -1.080 20 0 CAADLO CCn1ncc(C[NH2+][C@H](CO)CNC(=O)[C@@H](C)OC)n1 ZINC001369304214 887529089 /nfs/dbraw/zinc/52/90/89/887529089.db2.gz GPLFVUJSKJEMNG-KOLCDFICSA-N 1 2 285.348 -1.100 20 0 CAADLO CC[C@@H](OC)C(=O)NC[C@@H](CO)[NH2+]Cc1nncn1C ZINC001369314638 887536120 /nfs/dbraw/zinc/53/61/20/887536120.db2.gz SMTMPCJVJBHPRE-VHSXEESVSA-N 1 2 285.348 -1.193 20 0 CAADLO CNC(=O)C[N@H+](C)CCNC(=O)[C@H]1CCNC(=O)C1 ZINC001371947191 887676564 /nfs/dbraw/zinc/67/65/64/887676564.db2.gz WDKSGFJJQDPLAZ-VIFPVBQESA-N 1 2 270.333 -1.693 20 0 CAADLO CNC(=O)C[N@@H+](C)CCNC(=O)[C@H]1CCNC(=O)C1 ZINC001371947191 887676580 /nfs/dbraw/zinc/67/65/80/887676580.db2.gz WDKSGFJJQDPLAZ-VIFPVBQESA-N 1 2 270.333 -1.693 20 0 CAADLO CNC(=O)C[N@@H+](C)CCNC(=O)[C@@H]1CCNC(=O)C1 ZINC001371947187 887677460 /nfs/dbraw/zinc/67/74/60/887677460.db2.gz WDKSGFJJQDPLAZ-SECBINFHSA-N 1 2 270.333 -1.693 20 0 CAADLO CCNC(=O)C[N@H+](C)CCNC(=O)[C@H]1C[C@H]1C(=O)OC ZINC001371926478 887678152 /nfs/dbraw/zinc/67/81/52/887678152.db2.gz GEACICXJXHACKC-VHSXEESVSA-N 1 2 285.344 -1.020 20 0 CAADLO CCNC(=O)C[N@@H+](C)CCNC(=O)[C@H]1C[C@H]1C(=O)OC ZINC001371926478 887678162 /nfs/dbraw/zinc/67/81/62/887678162.db2.gz GEACICXJXHACKC-VHSXEESVSA-N 1 2 285.344 -1.020 20 0 CAADLO CCC(=O)NCC(=O)NCC[N@H+](C)CC(=O)N1CCC1 ZINC001371924997 887679428 /nfs/dbraw/zinc/67/94/28/887679428.db2.gz GLKYMRIPCPOSJD-UHFFFAOYSA-N 1 2 284.360 -1.207 20 0 CAADLO CCC(=O)NCC(=O)NCC[N@@H+](C)CC(=O)N1CCC1 ZINC001371924997 887679431 /nfs/dbraw/zinc/67/94/31/887679431.db2.gz GLKYMRIPCPOSJD-UHFFFAOYSA-N 1 2 284.360 -1.207 20 0 CAADLO CCNC(=O)C[N@H+](C)CCNC(=O)[C@@H]1CC[C@@H]1C(N)=O ZINC001372057501 887680808 /nfs/dbraw/zinc/68/08/08/887680808.db2.gz DOFVAJGVJRUQTG-VHSXEESVSA-N 1 2 284.360 -1.318 20 0 CAADLO CCNC(=O)C[N@@H+](C)CCNC(=O)[C@@H]1CC[C@@H]1C(N)=O ZINC001372057501 887680820 /nfs/dbraw/zinc/68/08/20/887680820.db2.gz DOFVAJGVJRUQTG-VHSXEESVSA-N 1 2 284.360 -1.318 20 0 CAADLO C[N@H+](CCNC(=O)[C@@H]1CCCN1C(N)=O)CC(N)=O ZINC001372253963 887693479 /nfs/dbraw/zinc/69/34/79/887693479.db2.gz JAAYCVJJKPACSS-QMMMGPOBSA-N 1 2 271.321 -1.937 20 0 CAADLO C[N@@H+](CCNC(=O)[C@@H]1CCCN1C(N)=O)CC(N)=O ZINC001372253963 887693485 /nfs/dbraw/zinc/69/34/85/887693485.db2.gz JAAYCVJJKPACSS-QMMMGPOBSA-N 1 2 271.321 -1.937 20 0 CAADLO COCC(=O)N[C@@H]1CCC[N@@H+]([C@H](C)C(=O)NC(N)=O)C1 ZINC001373360855 887734052 /nfs/dbraw/zinc/73/40/52/887734052.db2.gz DRWPBFZFDQGTEO-RKDXNWHRSA-N 1 2 286.332 -1.203 20 0 CAADLO COCC(=O)N[C@@H]1CCC[N@H+]([C@H](C)C(=O)NC(N)=O)C1 ZINC001373360855 887734066 /nfs/dbraw/zinc/73/40/66/887734066.db2.gz DRWPBFZFDQGTEO-RKDXNWHRSA-N 1 2 286.332 -1.203 20 0 CAADLO O=C(C[C@H]1CCS(=O)(=O)C1)NCC1C[NH+](CCO)C1 ZINC001373519463 887750492 /nfs/dbraw/zinc/75/04/92/887750492.db2.gz SDTBZROOLRSHDR-SNVBAGLBSA-N 1 2 290.385 -1.149 20 0 CAADLO CCNC(=O)C[N@H+](C)CCN(C)C(=O)[C@@H]1CCC(=O)N1 ZINC001374552735 887792622 /nfs/dbraw/zinc/79/26/22/887792622.db2.gz WKYCSVWKQKHYPC-JTQLQIEISA-N 1 2 284.360 -1.209 20 0 CAADLO CCNC(=O)C[N@@H+](C)CCN(C)C(=O)[C@@H]1CCC(=O)N1 ZINC001374552735 887792636 /nfs/dbraw/zinc/79/26/36/887792636.db2.gz WKYCSVWKQKHYPC-JTQLQIEISA-N 1 2 284.360 -1.209 20 0 CAADLO Cc1cc(C(=O)NCC2(O)C[NH+](CCCO)C2)cnn1 ZINC001376161315 887912295 /nfs/dbraw/zinc/91/22/95/887912295.db2.gz JCRBKKGUAVTDQJ-UHFFFAOYSA-N 1 2 280.328 -1.056 20 0 CAADLO O=C(COCC(F)F)NCC1(O)C[NH+](CCCO)C1 ZINC001376203722 887916219 /nfs/dbraw/zinc/91/62/19/887916219.db2.gz FODIJOMNTPIEOM-UHFFFAOYSA-N 1 2 282.287 -1.187 20 0 CAADLO COCC(=O)N[C@]1(CO)CCC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001376444592 887927028 /nfs/dbraw/zinc/92/70/28/887927028.db2.gz SCEDMKRRCDKTAL-ZWNOBZJWSA-N 1 2 285.344 -1.536 20 0 CAADLO COCC(=O)N[C@]1(CO)CCC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001376444592 887927044 /nfs/dbraw/zinc/92/70/44/887927044.db2.gz SCEDMKRRCDKTAL-ZWNOBZJWSA-N 1 2 285.344 -1.536 20 0 CAADLO COCC(=O)N[C@@]1(CO)CCC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001376444343 887928488 /nfs/dbraw/zinc/92/84/88/887928488.db2.gz SCEDMKRRCDKTAL-GWCFXTLKSA-N 1 2 285.344 -1.536 20 0 CAADLO COCC(=O)N[C@@]1(CO)CCC[N@H+]([C@H]2CCNC2=O)C1 ZINC001376444343 887928492 /nfs/dbraw/zinc/92/84/92/887928492.db2.gz SCEDMKRRCDKTAL-GWCFXTLKSA-N 1 2 285.344 -1.536 20 0 CAADLO NC(=O)NCCC(=O)NC[C@H]1COCC[N@@H+]1CCCO ZINC001376679245 887949176 /nfs/dbraw/zinc/94/91/76/887949176.db2.gz SXUMVUPWNNOAII-JTQLQIEISA-N 1 2 288.348 -1.756 20 0 CAADLO NC(=O)NCCC(=O)NC[C@H]1COCC[N@H+]1CCCO ZINC001376679245 887949183 /nfs/dbraw/zinc/94/91/83/887949183.db2.gz SXUMVUPWNNOAII-JTQLQIEISA-N 1 2 288.348 -1.756 20 0 CAADLO CCN(C)C(=O)C[N@H+](C)CCNC(=O)[C@@H]1CC(=O)N(C)C1 ZINC001377167538 887978999 /nfs/dbraw/zinc/97/89/99/887978999.db2.gz WIIHWNDDOKTOJL-LLVKDONJSA-N 1 2 298.387 -1.009 20 0 CAADLO CCN(C)C(=O)C[N@@H+](C)CCNC(=O)[C@@H]1CC(=O)N(C)C1 ZINC001377167538 887979002 /nfs/dbraw/zinc/97/90/02/887979002.db2.gz WIIHWNDDOKTOJL-LLVKDONJSA-N 1 2 298.387 -1.009 20 0 CAADLO CNC(=O)NCCC(=O)NCC1C[NH+](CC(=O)N(C)C)C1 ZINC001377975861 888024463 /nfs/dbraw/zinc/02/44/63/888024463.db2.gz XATUDPKRRCITEH-UHFFFAOYSA-N 1 2 299.375 -1.558 20 0 CAADLO CCNC(=O)C[N@@H+](C)CCN(C)C(=O)[C@@H]1CNC(=O)N1 ZINC001379089342 888085178 /nfs/dbraw/zinc/08/51/78/888085178.db2.gz OWUWQFBZPIJKAS-VIFPVBQESA-N 1 2 285.348 -1.806 20 0 CAADLO CN(C)C(=O)C[N@H+](C)CCN(C)C(=O)Cc1nnc[nH]1 ZINC001379118632 888086414 /nfs/dbraw/zinc/08/64/14/888086414.db2.gz KZEQXBQRSLYSEG-UHFFFAOYSA-N 1 2 282.348 -1.174 20 0 CAADLO CN(C)C(=O)C[N@@H+](C)CCN(C)C(=O)Cc1nnc[nH]1 ZINC001379118632 888086428 /nfs/dbraw/zinc/08/64/28/888086428.db2.gz KZEQXBQRSLYSEG-UHFFFAOYSA-N 1 2 282.348 -1.174 20 0 CAADLO COCCC(=O)NC[C@H](CO)[NH2+][C@H](C)c1nncn1C ZINC001379336525 888126152 /nfs/dbraw/zinc/12/61/52/888126152.db2.gz RLIBHKYMOSMFJC-NXEZZACHSA-N 1 2 285.348 -1.021 20 0 CAADLO CNC(=O)C[N@H+](C)C[C@H](C)NC(=O)CCc1cn[nH]n1 ZINC001379754391 888171914 /nfs/dbraw/zinc/17/19/14/888171914.db2.gz VPOGTAMLDJIJIU-VIFPVBQESA-N 1 2 282.348 -1.080 20 0 CAADLO CNC(=O)C[N@@H+](C)C[C@H](C)NC(=O)CCc1cn[nH]n1 ZINC001379754391 888171916 /nfs/dbraw/zinc/17/19/16/888171916.db2.gz VPOGTAMLDJIJIU-VIFPVBQESA-N 1 2 282.348 -1.080 20 0 CAADLO CNC(=O)C[N@H+](C)C[C@H](C)NC(=O)CCc1c[nH]nn1 ZINC001379754391 888171918 /nfs/dbraw/zinc/17/19/18/888171918.db2.gz VPOGTAMLDJIJIU-VIFPVBQESA-N 1 2 282.348 -1.080 20 0 CAADLO CNC(=O)C[N@@H+](C)C[C@H](C)NC(=O)CCc1c[nH]nn1 ZINC001379754391 888171921 /nfs/dbraw/zinc/17/19/21/888171921.db2.gz VPOGTAMLDJIJIU-VIFPVBQESA-N 1 2 282.348 -1.080 20 0 CAADLO CC(=O)N(C)CC(=O)NC[C@@H]1CC[N@H+]1[C@H]1CCNC1=O ZINC001379946539 888181953 /nfs/dbraw/zinc/18/19/53/888181953.db2.gz AJWUYPRBAHDQPA-QWRGUYRKSA-N 1 2 282.344 -1.456 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CC[C@H]1CNC(=O)CN1CCCC1=O ZINC001379947371 888182066 /nfs/dbraw/zinc/18/20/66/888182066.db2.gz WZTPMONHDCZHJK-UWVGGRQHSA-N 1 2 282.344 -1.327 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CC[C@H]1CNC(=O)CN1CCCC1=O ZINC001379947371 888182070 /nfs/dbraw/zinc/18/20/70/888182070.db2.gz WZTPMONHDCZHJK-UWVGGRQHSA-N 1 2 282.344 -1.327 20 0 CAADLO CN1CCN(CC(=O)NC[C@@H]2CC[N@@H+]2CCF)CC1=O ZINC001379971356 888185429 /nfs/dbraw/zinc/18/54/29/888185429.db2.gz OXDSJNMOIROYTK-NSHDSACASA-N 1 2 286.351 -1.080 20 0 CAADLO CN1CCN(CC(=O)NC[C@@H]2CC[N@H+]2CCF)CC1=O ZINC001379971356 888185449 /nfs/dbraw/zinc/18/54/49/888185449.db2.gz OXDSJNMOIROYTK-NSHDSACASA-N 1 2 286.351 -1.080 20 0 CAADLO COC[C@H](O)C[NH+]1CC(O)(CNC(=O)[C@@H]2CC23CC3)C1 ZINC001380627601 888223939 /nfs/dbraw/zinc/22/39/39/888223939.db2.gz QVTRQGRBTVPXPJ-MNOVXSKESA-N 1 2 284.356 -1.043 20 0 CAADLO CC(=O)NCC(=O)NC[C@H]1CCC2(C[NH+](CCO)C2)O1 ZINC001380994978 888240561 /nfs/dbraw/zinc/24/05/61/888240561.db2.gz NUGYNZGPRBMDSI-LLVKDONJSA-N 1 2 285.344 -1.536 20 0 CAADLO CC(=O)NCC(=O)NC[C@@H](CO)[NH2+]Cc1nccs1 ZINC001382170177 888279629 /nfs/dbraw/zinc/27/96/29/888279629.db2.gz FBUIANFATUASFZ-VIFPVBQESA-N 1 2 286.357 -1.154 20 0 CAADLO CCn1ncc(C[NH2+][C@@H](CO)CNC(=O)COC)n1 ZINC001382163008 888281472 /nfs/dbraw/zinc/28/14/72/888281472.db2.gz GEXJAFKMBABWIC-SNVBAGLBSA-N 1 2 271.321 -1.489 20 0 CAADLO CC(=O)N1CC[NH+](CCN(C)C(=O)[C@H](C)NC(N)=O)CC1 ZINC001388796574 888513801 /nfs/dbraw/zinc/51/38/01/888513801.db2.gz MOKBLPGXHUVMCM-JTQLQIEISA-N 1 2 299.375 -1.334 20 0 CAADLO C[N@H+](CCNC(=O)Cn1ncnn1)CC(=O)NC1CC1 ZINC001390757320 888594722 /nfs/dbraw/zinc/59/47/22/888594722.db2.gz QZLCVNYSTNKSHH-UHFFFAOYSA-N 1 2 281.320 -2.000 20 0 CAADLO C[N@@H+](CCNC(=O)Cn1ncnn1)CC(=O)NC1CC1 ZINC001390757320 888594739 /nfs/dbraw/zinc/59/47/39/888594739.db2.gz QZLCVNYSTNKSHH-UHFFFAOYSA-N 1 2 281.320 -2.000 20 0 CAADLO CC[N@H+](CCNC(=O)c1cn(C)ccc1=O)CC(N)=O ZINC001390938600 888603894 /nfs/dbraw/zinc/60/38/94/888603894.db2.gz SDXSOGNATIKRRB-UHFFFAOYSA-N 1 2 280.328 -1.078 20 0 CAADLO CC[N@@H+](CCNC(=O)c1cn(C)ccc1=O)CC(N)=O ZINC001390938600 888603902 /nfs/dbraw/zinc/60/39/02/888603902.db2.gz SDXSOGNATIKRRB-UHFFFAOYSA-N 1 2 280.328 -1.078 20 0 CAADLO COC(=O)NCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(N)=O ZINC001391264980 888618449 /nfs/dbraw/zinc/61/84/49/888618449.db2.gz ZKAPQAGCOYGFIN-DTORHVGOSA-N 1 2 284.316 -1.497 20 0 CAADLO CN(C(=O)CS(C)(=O)=O)[C@H]1CC[N@H+](CCCO)C1 ZINC001391607105 888638660 /nfs/dbraw/zinc/63/86/60/888638660.db2.gz QIGPCYGUZSAWPC-JTQLQIEISA-N 1 2 278.374 -1.054 20 0 CAADLO CN(C(=O)CS(C)(=O)=O)[C@H]1CC[N@@H+](CCCO)C1 ZINC001391607105 888638666 /nfs/dbraw/zinc/63/86/66/888638666.db2.gz QIGPCYGUZSAWPC-JTQLQIEISA-N 1 2 278.374 -1.054 20 0 CAADLO CCOCC(=O)NC[C@H]1C[N@H+](C[C@@H](O)COC)CCO1 ZINC001391982448 888656040 /nfs/dbraw/zinc/65/60/40/888656040.db2.gz SUHDMNXLXMHAJW-NEPJUHHUSA-N 1 2 290.360 -1.153 20 0 CAADLO CCOCC(=O)NC[C@H]1C[N@@H+](C[C@@H](O)COC)CCO1 ZINC001391982448 888656049 /nfs/dbraw/zinc/65/60/49/888656049.db2.gz SUHDMNXLXMHAJW-NEPJUHHUSA-N 1 2 290.360 -1.153 20 0 CAADLO CNC(=O)C[N@H+](C)CCN(C)C(=O)[C@H]1CCCC(=O)N1 ZINC001392284387 888674535 /nfs/dbraw/zinc/67/45/35/888674535.db2.gz KACLBHDEBFJVNT-SNVBAGLBSA-N 1 2 284.360 -1.209 20 0 CAADLO CNC(=O)C[N@@H+](C)CCN(C)C(=O)[C@H]1CCCC(=O)N1 ZINC001392284387 888674544 /nfs/dbraw/zinc/67/45/44/888674544.db2.gz KACLBHDEBFJVNT-SNVBAGLBSA-N 1 2 284.360 -1.209 20 0 CAADLO C[C@H](O)C[NH+]1CC(N(C)C(=O)CS(=O)(=O)N(C)C)C1 ZINC001393020890 888752967 /nfs/dbraw/zinc/75/29/67/888752967.db2.gz OGESPJFLRXDZIX-VIFPVBQESA-N 1 2 293.389 -1.599 20 0 CAADLO CC[N@H+]1CCOC[C@H]1CNC(=O)[C@H](C)NS(C)(=O)=O ZINC001393522746 888789481 /nfs/dbraw/zinc/78/94/81/888789481.db2.gz FHKDWFZBBHNTLO-VHSXEESVSA-N 1 2 293.389 -1.239 20 0 CAADLO CC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@H](C)NS(C)(=O)=O ZINC001393522745 888789700 /nfs/dbraw/zinc/78/97/00/888789700.db2.gz FHKDWFZBBHNTLO-UWVGGRQHSA-N 1 2 293.389 -1.239 20 0 CAADLO CC[N@H+]1CCOC[C@@H]1CNC(=O)[C@H](C)NS(C)(=O)=O ZINC001393522745 888789712 /nfs/dbraw/zinc/78/97/12/888789712.db2.gz FHKDWFZBBHNTLO-UWVGGRQHSA-N 1 2 293.389 -1.239 20 0 CAADLO CC[N@@H+]1CCOC[C@@H]1CNC(=O)CCNS(C)(=O)=O ZINC001393507466 888792015 /nfs/dbraw/zinc/79/20/15/888792015.db2.gz PIGALBKYRBBWQO-JTQLQIEISA-N 1 2 293.389 -1.237 20 0 CAADLO CC[N@H+]1CCOC[C@@H]1CNC(=O)CCNS(C)(=O)=O ZINC001393507466 888792026 /nfs/dbraw/zinc/79/20/26/888792026.db2.gz PIGALBKYRBBWQO-JTQLQIEISA-N 1 2 293.389 -1.237 20 0 CAADLO O=C(NCC1(O)C[NH+](CCCO)C1)C1=COCCO1 ZINC001393289290 888772664 /nfs/dbraw/zinc/77/26/64/888772664.db2.gz MCCSSVIDPCBIKI-UHFFFAOYSA-N 1 2 272.301 -1.580 20 0 CAADLO Cc1nn(C)cc1C(=O)NCC1(O)C[NH+](C[C@@H](C)O)C1 ZINC001393299914 888775675 /nfs/dbraw/zinc/77/56/75/888775675.db2.gz CPFPDAZLXVGWDQ-SECBINFHSA-N 1 2 282.344 -1.114 20 0 CAADLO C[C@H](O)C[NH+]1CC(O)(CNC(=O)C[C@H]2CCNC2=O)C1 ZINC001393320185 888779436 /nfs/dbraw/zinc/77/94/36/888779436.db2.gz RIBNECFSYGJDIK-VHSXEESVSA-N 1 2 285.344 -1.944 20 0 CAADLO CC[N@@H+]1CCOC[C@H]1CNC(=O)[C@H](C)NS(C)(=O)=O ZINC001393522746 888789460 /nfs/dbraw/zinc/78/94/60/888789460.db2.gz FHKDWFZBBHNTLO-VHSXEESVSA-N 1 2 293.389 -1.239 20 0 CAADLO COC[C@@H](OC)C(=O)N[C@H](C)C1C[NH+](CC(N)=O)C1 ZINC001394246240 888822836 /nfs/dbraw/zinc/82/28/36/888822836.db2.gz HCVQXDDOVKDEPB-PSASIEDQSA-N 1 2 273.333 -1.430 20 0 CAADLO C[N@@H+]1CCO[C@@H](C(=O)NC2(CCO)CN(CCO)C2)C1 ZINC001394147603 888815289 /nfs/dbraw/zinc/81/52/89/888815289.db2.gz NMDLWKSYLKGONE-LLVKDONJSA-N 1 2 287.360 -2.138 20 0 CAADLO C[N@H+]1CCO[C@@H](C(=O)NC2(CCO)CN(CCO)C2)C1 ZINC001394147603 888815302 /nfs/dbraw/zinc/81/53/02/888815302.db2.gz NMDLWKSYLKGONE-LLVKDONJSA-N 1 2 287.360 -2.138 20 0 CAADLO COC[C@@H](C)[NH+]1CC(CCO)(NC(=O)CNC(C)=O)C1 ZINC001394136624 888815343 /nfs/dbraw/zinc/81/53/43/888815343.db2.gz HQNXSUPSCPYPDF-SNVBAGLBSA-N 1 2 287.360 -1.290 20 0 CAADLO CCO[C@H](C)C(=O)NC[C@H](CO)[NH2+]Cc1ncnn1C ZINC001394573155 888838398 /nfs/dbraw/zinc/83/83/98/888838398.db2.gz MGCRUOCWWUZLDY-NXEZZACHSA-N 1 2 285.348 -1.193 20 0 CAADLO C[C@H](CNC(=O)[C@H]1CNC(=O)N1)[NH2+]Cc1csnn1 ZINC001399049297 889026912 /nfs/dbraw/zinc/02/69/12/889026912.db2.gz ZJLQRBHMIXTHSV-HTRCEHHLSA-N 1 2 284.345 -1.186 20 0 CAADLO CNC(=O)C[N@H+](C)CCNC(=O)[C@@H]1C[C@H]1C(=O)OC ZINC001399438730 889041151 /nfs/dbraw/zinc/04/11/51/889041151.db2.gz PLXRRWNYWBERIM-RKDXNWHRSA-N 1 2 271.317 -1.411 20 0 CAADLO CNC(=O)C[N@@H+](C)CCNC(=O)[C@@H]1C[C@H]1C(=O)OC ZINC001399438730 889041164 /nfs/dbraw/zinc/04/11/64/889041164.db2.gz PLXRRWNYWBERIM-RKDXNWHRSA-N 1 2 271.317 -1.411 20 0 CAADLO CCN1C[C@@H](C(=O)NCC[N@H+](C)CC(N)=O)CC1=O ZINC001399486387 889047889 /nfs/dbraw/zinc/04/78/89/889047889.db2.gz KWUQWUHRFPVWLF-VIFPVBQESA-N 1 2 270.333 -1.612 20 0 CAADLO CCN1C[C@@H](C(=O)NCC[N@@H+](C)CC(N)=O)CC1=O ZINC001399486387 889047902 /nfs/dbraw/zinc/04/79/02/889047902.db2.gz KWUQWUHRFPVWLF-VIFPVBQESA-N 1 2 270.333 -1.612 20 0 CAADLO CO[C@@H]1COCC[C@@H]1CC(=O)NCC[N@H+](C)CC(N)=O ZINC001399490288 889048921 /nfs/dbraw/zinc/04/89/21/889048921.db2.gz MKNKHUCAMRWPDG-GHMZBOCLSA-N 1 2 287.360 -1.039 20 0 CAADLO CO[C@@H]1COCC[C@@H]1CC(=O)NCC[N@@H+](C)CC(N)=O ZINC001399490288 889048931 /nfs/dbraw/zinc/04/89/31/889048931.db2.gz MKNKHUCAMRWPDG-GHMZBOCLSA-N 1 2 287.360 -1.039 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H](C)CC(N)=O)C1 ZINC001400628612 889115305 /nfs/dbraw/zinc/11/53/05/889115305.db2.gz DVFYPJFXFLAABS-BDAKNGLRSA-N 1 2 270.333 -1.566 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@H](C)CC(N)=O)C1 ZINC001400628612 889115309 /nfs/dbraw/zinc/11/53/09/889115309.db2.gz DVFYPJFXFLAABS-BDAKNGLRSA-N 1 2 270.333 -1.566 20 0 CAADLO CCNC(=O)C[N@H+](C)CCN(C)C(=O)[C@@H]1COC(=O)N1 ZINC001401371233 889135226 /nfs/dbraw/zinc/13/52/26/889135226.db2.gz ZOCQYOVATAYQQO-VIFPVBQESA-N 1 2 286.332 -1.379 20 0 CAADLO CCNC(=O)C[N@@H+](C)CCN(C)C(=O)[C@@H]1COC(=O)N1 ZINC001401371233 889135237 /nfs/dbraw/zinc/13/52/37/889135237.db2.gz ZOCQYOVATAYQQO-VIFPVBQESA-N 1 2 286.332 -1.379 20 0 CAADLO CN(CC[N@H+](C)CC(N)=O)C(=O)[C@H]1CCCC(=O)N1C ZINC001401520399 889151481 /nfs/dbraw/zinc/15/14/81/889151481.db2.gz DRJOMIXMTCZZIK-SNVBAGLBSA-N 1 2 284.360 -1.127 20 0 CAADLO CN(CC[N@@H+](C)CC(N)=O)C(=O)[C@H]1CCCC(=O)N1C ZINC001401520399 889151486 /nfs/dbraw/zinc/15/14/86/889151486.db2.gz DRJOMIXMTCZZIK-SNVBAGLBSA-N 1 2 284.360 -1.127 20 0 CAADLO CO[C@H](C)C[NH+]1CC(O)(CNC(=O)[C@@H]2COCCO2)C1 ZINC001402306179 889219356 /nfs/dbraw/zinc/21/93/56/889219356.db2.gz DMZQOSVCDQLQIQ-MNOVXSKESA-N 1 2 288.344 -1.400 20 0 CAADLO C[C@H](O)C[NH+]1CC(O)(CNC(=O)C[C@@H]2CCOC2)C1 ZINC001402302691 889220656 /nfs/dbraw/zinc/22/06/56/889220656.db2.gz DVZWYGYHLFXASB-QWRGUYRKSA-N 1 2 272.345 -1.043 20 0 CAADLO C[C@@H](O)C[NH+]1CC(O)(CNC(=O)C[C@H]2CCOC2)C1 ZINC001402302667 889223507 /nfs/dbraw/zinc/22/35/07/889223507.db2.gz DVZWYGYHLFXASB-GHMZBOCLSA-N 1 2 272.345 -1.043 20 0 CAADLO CC(C)OCC(=O)N[C@@H]1CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001402170176 889205424 /nfs/dbraw/zinc/20/54/24/889205424.db2.gz ALUQPEOBYOICIW-SECBINFHSA-N 1 2 286.332 -1.203 20 0 CAADLO CC(C)OCC(=O)N[C@@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001402170176 889205436 /nfs/dbraw/zinc/20/54/36/889205436.db2.gz ALUQPEOBYOICIW-SECBINFHSA-N 1 2 286.332 -1.203 20 0 CAADLO CCn1ncc(C(=O)NCC2(O)C[NH+](CCCO)C2)n1 ZINC001402343914 889229159 /nfs/dbraw/zinc/22/91/59/889229159.db2.gz RJHACKGNKWLODI-UHFFFAOYSA-N 1 2 283.332 -1.543 20 0 CAADLO Cc1ncc(C(=O)NCC2(O)C[NH+](C[C@H](C)O)C2)n1C ZINC001402356802 889232203 /nfs/dbraw/zinc/23/22/03/889232203.db2.gz PGGDNUDSDKVOJJ-VIFPVBQESA-N 1 2 282.344 -1.114 20 0 CAADLO CNC(=O)NCC(=O)N[C@]1(CO)CCC[N@@H+](CCF)C1 ZINC001402448621 889237799 /nfs/dbraw/zinc/23/77/99/889237799.db2.gz LZYMQLNTPZOJKL-GFCCVEGCSA-N 1 2 290.339 -1.172 20 0 CAADLO O=C(NC1(CCO)C[NH+](CCO)C1)[C@H]1CCC(=O)N1 ZINC001403199434 889290479 /nfs/dbraw/zinc/29/04/79/889290479.db2.gz MFXPKZPNQVVTTL-SECBINFHSA-N 1 2 271.317 -2.190 20 0 CAADLO O=C(NC1(CCO)C[NH+](CCO)C1)[C@H]1CCC(=O)NC1 ZINC001403220680 889293051 /nfs/dbraw/zinc/29/30/51/889293051.db2.gz UFKUXKPVRGOPIO-JTQLQIEISA-N 1 2 285.344 -1.942 20 0 CAADLO O=C(C[C@H]1CCC(=O)N1)NC1(CCO)C[NH+](CCO)C1 ZINC001403247200 889295765 /nfs/dbraw/zinc/29/57/65/889295765.db2.gz PDHKQDXHOQBHOH-SNVBAGLBSA-N 1 2 285.344 -1.800 20 0 CAADLO CCS(=O)(=O)N[C@@H](C)C(=O)NCC[N@H+](C)CC(N)=O ZINC001403559824 889310483 /nfs/dbraw/zinc/31/04/83/889310483.db2.gz BETRWQFEMWVNHA-QMMMGPOBSA-N 1 2 294.377 -2.153 20 0 CAADLO CCS(=O)(=O)N[C@@H](C)C(=O)NCC[N@@H+](C)CC(N)=O ZINC001403559824 889310494 /nfs/dbraw/zinc/31/04/94/889310494.db2.gz BETRWQFEMWVNHA-QMMMGPOBSA-N 1 2 294.377 -2.153 20 0 CAADLO CC(=O)NCC(=O)NC[C@H](CO)[NH2+]Cc1cc(C)on1 ZINC001403634807 889321386 /nfs/dbraw/zinc/32/13/86/889321386.db2.gz GBMWMEGWEMBHNA-LLVKDONJSA-N 1 2 284.316 -1.314 20 0 CAADLO CCO[C@@H](C)C(=O)NC[C@@H](CO)[NH2+]Cc1nnnn1C ZINC001403652494 889330404 /nfs/dbraw/zinc/33/04/04/889330404.db2.gz NBYIBLSCMIPNTI-IUCAKERBSA-N 1 2 286.336 -1.798 20 0 CAADLO CC(C)[C@H](F)C(=O)NC[C@H](CO)[NH2+]Cc1nnnn1C ZINC001403712369 889355880 /nfs/dbraw/zinc/35/58/80/889355880.db2.gz TUVQLOBJIJVGGS-SCZZXKLOSA-N 1 2 288.327 -1.229 20 0 CAADLO CC(=O)NCC(C)(C)C(=O)NCC1C[NH+](CC(N)=O)C1 ZINC001404906262 889421089 /nfs/dbraw/zinc/42/10/89/889421089.db2.gz BUBLWPAUTXHZSR-UHFFFAOYSA-N 1 2 284.360 -1.318 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(N(C)C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001407061815 889551490 /nfs/dbraw/zinc/55/14/90/889551490.db2.gz WJIZVTNZKVYAIR-UWVGGRQHSA-N 1 2 286.332 -2.182 20 0 CAADLO C[C@@H](O)C[NH+]1CC(O)(CNC(=O)C2=CCOCC2)C1 ZINC001407401542 889569898 /nfs/dbraw/zinc/56/98/98/889569898.db2.gz KLORTAGHYBQRIY-SNVBAGLBSA-N 1 2 270.329 -1.123 20 0 CAADLO CC(=O)NCC(=O)NCCN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001408513202 889610298 /nfs/dbraw/zinc/61/02/98/889610298.db2.gz PUZJWRQMHNWWBD-UHFFFAOYSA-N 1 2 281.316 -1.337 20 0 CAADLO COC[C@H](O)C[NH+]1CC(CCO)(NC(=O)C2CC2)C1 ZINC001409700738 889640359 /nfs/dbraw/zinc/64/03/59/889640359.db2.gz UAYUCYAAHWGOPH-LLVKDONJSA-N 1 2 272.345 -1.043 20 0 CAADLO CO[C@@H](C)C(=O)N[C@H](C)C1C[NH+](CC(=O)NC(N)=O)C1 ZINC001409850466 889645025 /nfs/dbraw/zinc/64/50/25/889645025.db2.gz NPKRNMGXXVVKQA-SFYZADRCSA-N 1 2 286.332 -1.347 20 0 CAADLO CO[C@H](C)C(=O)N[C@H](C)C1C[NH+](CC(=O)NC(N)=O)C1 ZINC001409850400 889645943 /nfs/dbraw/zinc/64/59/43/889645943.db2.gz NPKRNMGXXVVKQA-HTQZYQBOSA-N 1 2 286.332 -1.347 20 0 CAADLO CC(=O)N(C)CC(=O)N[C@H]1C[N@H+](CC(N)=O)CC1(C)C ZINC001409990608 889647715 /nfs/dbraw/zinc/64/77/15/889647715.db2.gz HLBKEPGABUEQIP-JTQLQIEISA-N 1 2 284.360 -1.223 20 0 CAADLO CC(=O)N(C)CC(=O)N[C@H]1C[N@@H+](CC(N)=O)CC1(C)C ZINC001409990608 889647723 /nfs/dbraw/zinc/64/77/23/889647723.db2.gz HLBKEPGABUEQIP-JTQLQIEISA-N 1 2 284.360 -1.223 20 0 CAADLO CNC(=O)C[NH+]1CC([C@H](C)NC(=O)[C@@H](COC)OC)C1 ZINC001409941483 889649635 /nfs/dbraw/zinc/64/96/35/889649635.db2.gz MVTPXZFIDORHGB-GXSJLCMTSA-N 1 2 287.360 -1.170 20 0 CAADLO CCOCC(=O)NC[C@@H](CO)[NH2+]Cc1nnc(C)[nH]1 ZINC001410556835 889680222 /nfs/dbraw/zinc/68/02/22/889680222.db2.gz MVLDJWYOIXQSCY-VIFPVBQESA-N 1 2 271.321 -1.284 20 0 CAADLO CCOCC(=O)NC[C@H](CO)[NH2+]Cc1nonc1C ZINC001410566960 889683716 /nfs/dbraw/zinc/68/37/16/889683716.db2.gz XADUNYDIFXPAKB-SECBINFHSA-N 1 2 272.305 -1.019 20 0 CAADLO CC(C)[C@@H](O)C(=O)NC[C@H](CO)[NH2+]Cc1nnnn1C ZINC001410622821 889692506 /nfs/dbraw/zinc/69/25/06/889692506.db2.gz BQGXNWUMYVDCNA-PSASIEDQSA-N 1 2 286.336 -2.206 20 0 CAADLO COCC[N@H+](CCNC(=O)c1cncnc1)CC(N)=O ZINC001411225980 889742184 /nfs/dbraw/zinc/74/21/84/889742184.db2.gz MWCRTUHQVRZFSA-UHFFFAOYSA-N 1 2 281.316 -1.360 20 0 CAADLO COCC[N@@H+](CCNC(=O)c1cncnc1)CC(N)=O ZINC001411225980 889742198 /nfs/dbraw/zinc/74/21/98/889742198.db2.gz MWCRTUHQVRZFSA-UHFFFAOYSA-N 1 2 281.316 -1.360 20 0 CAADLO CC1(C)C[N@H+](CCNC(=O)[C@H](CO)NC(N)=O)CCO1 ZINC001412478783 889834928 /nfs/dbraw/zinc/83/49/28/889834928.db2.gz PSVSFVFVRSRPKF-VIFPVBQESA-N 1 2 288.348 -1.757 20 0 CAADLO CC1(C)C[N@@H+](CCNC(=O)[C@H](CO)NC(N)=O)CCO1 ZINC001412478783 889834941 /nfs/dbraw/zinc/83/49/41/889834941.db2.gz PSVSFVFVRSRPKF-VIFPVBQESA-N 1 2 288.348 -1.757 20 0 CAADLO COC(=O)Cn1cc(C[N@@H+]2C[C@@H](O)C[C@@]2(C)CO)nn1 ZINC001413238066 889950286 /nfs/dbraw/zinc/95/02/86/889950286.db2.gz QRATZJDKAVKMRU-JQWIXIFHSA-N 1 2 284.316 -1.231 20 0 CAADLO COC(=O)Cn1cc(C[N@H+]2C[C@@H](O)C[C@@]2(C)CO)nn1 ZINC001413238066 889950306 /nfs/dbraw/zinc/95/03/06/889950306.db2.gz QRATZJDKAVKMRU-JQWIXIFHSA-N 1 2 284.316 -1.231 20 0 CAADLO COC(=O)Cn1cc(C[NH2+][C@H]2COC[C@H]2OC)nn1 ZINC001413223095 889950514 /nfs/dbraw/zinc/95/05/14/889950514.db2.gz MLFLIUKPMSPETM-VHSXEESVSA-N 1 2 270.289 -1.046 20 0 CAADLO CCOC(=O)C[C@@H](O)C(=O)N[C@H](CO)c1c[nH+]cn1C ZINC001413330358 889962496 /nfs/dbraw/zinc/96/24/96/889962496.db2.gz ZBVPVGRIIZYZJQ-PSASIEDQSA-N 1 2 285.300 -1.116 20 0 CAADLO COC(=O)[C@@H](O)CNS(=O)(=O)CCn1cc[nH+]c1 ZINC001413325618 889965059 /nfs/dbraw/zinc/96/50/59/889965059.db2.gz KEPJQSFQRPUBGX-QMMMGPOBSA-N 1 2 277.302 -1.664 20 0 CAADLO C[C@@H](O)CN(CCO)S(=O)(=O)N1CC[NH+](C)CC1 ZINC001413355663 889969389 /nfs/dbraw/zinc/96/93/89/889969389.db2.gz NALIKFVCXUEXSX-SNVBAGLBSA-N 1 2 281.378 -1.846 20 0 CAADLO CNC(=O)c1[nH]nnc1NC(=O)NCC[N@H+](C)CCO ZINC001413635447 890004053 /nfs/dbraw/zinc/00/40/53/890004053.db2.gz ITHLRYXRYWHFJN-UHFFFAOYSA-N 1 2 285.308 -1.790 20 0 CAADLO CNC(=O)c1[nH]nnc1NC(=O)NCC[N@@H+](C)CCO ZINC001413635447 890004070 /nfs/dbraw/zinc/00/40/70/890004070.db2.gz ITHLRYXRYWHFJN-UHFFFAOYSA-N 1 2 285.308 -1.790 20 0 CAADLO COC(=O)Cn1cc(C[N@H+](C)CC(C)(CO)CO)nn1 ZINC001414135875 890044691 /nfs/dbraw/zinc/04/46/91/890044691.db2.gz WWMQBFLXTKRJOR-UHFFFAOYSA-N 1 2 286.332 -1.126 20 0 CAADLO COC(=O)Cn1cc(C[N@@H+](C)CC(C)(CO)CO)nn1 ZINC001414135875 890044705 /nfs/dbraw/zinc/04/47/05/890044705.db2.gz WWMQBFLXTKRJOR-UHFFFAOYSA-N 1 2 286.332 -1.126 20 0 CAADLO COC[C@H](NS(=O)(=O)CCn1cc[nH+]c1)C(N)=O ZINC001414231029 890049433 /nfs/dbraw/zinc/04/94/33/890049433.db2.gz GAVYGSDXPSFQDS-QMMMGPOBSA-N 1 2 276.318 -1.697 20 0 CAADLO Cc1nonc1CNS(=O)(=O)N1CC[NH+](C)CC1 ZINC001414329917 890056781 /nfs/dbraw/zinc/05/67/81/890056781.db2.gz FDTVGSDHFUODQL-UHFFFAOYSA-N 1 2 275.334 -1.040 20 0 CAADLO CCOCC(=O)NC[C@@H](O)CNC(=O)Cn1cc[nH+]c1 ZINC001416722907 890121623 /nfs/dbraw/zinc/12/16/23/890121623.db2.gz JFXYNERPHXYYKW-JTQLQIEISA-N 1 2 284.316 -1.487 20 0 CAADLO CN(C)C(=O)C[N@H+](C)CCNC(=O)[C@H]1CCC(=O)N1C ZINC001418486722 890224420 /nfs/dbraw/zinc/22/44/20/890224420.db2.gz FOKFSAURZIUEMW-SNVBAGLBSA-N 1 2 284.360 -1.257 20 0 CAADLO CN(C)C(=O)C[N@@H+](C)CCNC(=O)[C@H]1CCC(=O)N1C ZINC001418486722 890224433 /nfs/dbraw/zinc/22/44/33/890224433.db2.gz FOKFSAURZIUEMW-SNVBAGLBSA-N 1 2 284.360 -1.257 20 0 CAADLO CN1CC[C@@H](CC(=O)NCC[N@H+](C)CC(N)=O)C1=O ZINC001418474765 890226517 /nfs/dbraw/zinc/22/65/17/890226517.db2.gz IUNAWLMWLRMXGM-VIFPVBQESA-N 1 2 270.333 -1.612 20 0 CAADLO CN1CC[C@@H](CC(=O)NCC[N@@H+](C)CC(N)=O)C1=O ZINC001418474765 890226532 /nfs/dbraw/zinc/22/65/32/890226532.db2.gz IUNAWLMWLRMXGM-VIFPVBQESA-N 1 2 270.333 -1.612 20 0 CAADLO CN(C)C(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)CCNC(N)=O ZINC001418602804 890245493 /nfs/dbraw/zinc/24/54/93/890245493.db2.gz LWKOMNABVDYONW-JTQLQIEISA-N 1 2 299.375 -1.334 20 0 CAADLO CN(C)C(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)CCNC(N)=O ZINC001418602804 890245513 /nfs/dbraw/zinc/24/55/13/890245513.db2.gz LWKOMNABVDYONW-JTQLQIEISA-N 1 2 299.375 -1.334 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(NC(=O)CCCC(N)=O)C1 ZINC001419003438 890288020 /nfs/dbraw/zinc/28/80/20/890288020.db2.gz KKYQTQPRXIAPHD-JTQLQIEISA-N 1 2 273.333 -1.550 20 0 CAADLO COCC[N@@H+]1CCO[C@@H](CNC(=O)CCNC(N)=O)C1 ZINC001419585331 890334598 /nfs/dbraw/zinc/33/45/98/890334598.db2.gz PLWFFPBEGXKXQN-JTQLQIEISA-N 1 2 288.348 -1.492 20 0 CAADLO COCC[N@H+]1CCO[C@@H](CNC(=O)CCNC(N)=O)C1 ZINC001419585331 890334613 /nfs/dbraw/zinc/33/46/13/890334613.db2.gz PLWFFPBEGXKXQN-JTQLQIEISA-N 1 2 288.348 -1.492 20 0 CAADLO CN(CC[N@H+](C)CC(N)=O)C(=O)[C@@H]1CCNC(=O)C1 ZINC001419957768 890368347 /nfs/dbraw/zinc/36/83/47/890368347.db2.gz PGODOFFRUCDKFC-SECBINFHSA-N 1 2 270.333 -1.612 20 0 CAADLO CN(CC[N@@H+](C)CC(N)=O)C(=O)[C@@H]1CCNC(=O)C1 ZINC001419957768 890368365 /nfs/dbraw/zinc/36/83/65/890368365.db2.gz PGODOFFRUCDKFC-SECBINFHSA-N 1 2 270.333 -1.612 20 0 CAADLO CN(CC[N@H+](C)CC(N)=O)C(=O)[C@@H]1CCNC(=O)CC1 ZINC001420001270 890373518 /nfs/dbraw/zinc/37/35/18/890373518.db2.gz YRFYTUCFWIFBTE-JTQLQIEISA-N 1 2 284.360 -1.222 20 0 CAADLO CN(CC[N@@H+](C)CC(N)=O)C(=O)[C@@H]1CCNC(=O)CC1 ZINC001420001270 890373531 /nfs/dbraw/zinc/37/35/31/890373531.db2.gz YRFYTUCFWIFBTE-JTQLQIEISA-N 1 2 284.360 -1.222 20 0 CAADLO CNC(=O)C[N@H+](C)CCN(C)C(=O)c1c[nH]c(=O)cn1 ZINC001420019233 890375353 /nfs/dbraw/zinc/37/53/53/890375353.db2.gz WKHXDCAJYYRNHL-UHFFFAOYSA-N 1 2 281.316 -1.480 20 0 CAADLO CNC(=O)C[N@@H+](C)CCN(C)C(=O)c1c[nH]c(=O)cn1 ZINC001420019233 890375366 /nfs/dbraw/zinc/37/53/66/890375366.db2.gz WKHXDCAJYYRNHL-UHFFFAOYSA-N 1 2 281.316 -1.480 20 0 CAADLO Cc1n[nH]c(=O)c(C(=O)NCC[N@@H+](C)CC(N)=O)c1C ZINC001420287817 890426518 /nfs/dbraw/zinc/42/65/18/890426518.db2.gz NQUQUVKHVUGXCU-UHFFFAOYSA-N 1 2 281.316 -1.054 20 0 CAADLO Cc1n[nH]c(=O)c(C(=O)NCC[N@H+](C)CC(N)=O)c1C ZINC001420287817 890426527 /nfs/dbraw/zinc/42/65/27/890426527.db2.gz NQUQUVKHVUGXCU-UHFFFAOYSA-N 1 2 281.316 -1.054 20 0 CAADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)Cn1cnc(N)n1 ZINC000049503600 883984032 /nfs/dbraw/zinc/98/40/32/883984032.db2.gz UFBRLXRQRMYTNE-VIFPVBQESA-N 1 2 268.321 -1.303 20 0 CAADLO COC[C@H]1NC(=O)N(C[C@H]2C[N@H+](C)CCO2)C1=O ZINC000925300495 883998629 /nfs/dbraw/zinc/99/86/29/883998629.db2.gz TUKZOXSSIVNVEF-RKDXNWHRSA-N 1 2 257.290 -1.116 20 0 CAADLO COC[C@H]1NC(=O)N(C[C@H]2C[N@@H+](C)CCO2)C1=O ZINC000925300495 883998638 /nfs/dbraw/zinc/99/86/38/883998638.db2.gz TUKZOXSSIVNVEF-RKDXNWHRSA-N 1 2 257.290 -1.116 20 0 CAADLO COC[C@@H]1NC(=O)N(C[C@@H]2C[N@H+](C)CCO2)C1=O ZINC000925300494 883998964 /nfs/dbraw/zinc/99/89/64/883998964.db2.gz TUKZOXSSIVNVEF-IUCAKERBSA-N 1 2 257.290 -1.116 20 0 CAADLO COC[C@@H]1NC(=O)N(C[C@@H]2C[N@@H+](C)CCO2)C1=O ZINC000925300494 883998972 /nfs/dbraw/zinc/99/89/72/883998972.db2.gz TUKZOXSSIVNVEF-IUCAKERBSA-N 1 2 257.290 -1.116 20 0 CAADLO C[C@H]1[C@H]([NH2+]Cc2nnn(C)n2)CCN1C(=O)c1nc[nH]n1 ZINC000987192082 884006706 /nfs/dbraw/zinc/00/67/06/884006706.db2.gz YNAXQDQHLMXQOA-JGVFFNPUSA-N 1 2 291.319 -1.279 20 0 CAADLO C[C@H]1[C@@H]([NH2+]Cc2nnn(C)n2)CCN1C(=O)c1cnon1 ZINC000987207789 884007184 /nfs/dbraw/zinc/00/71/84/884007184.db2.gz QQLLZAVHSTZQSE-YUMQZZPRSA-N 1 2 292.303 -1.014 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)Cc2cc[nH]n2)C1 ZINC001010404452 884009906 /nfs/dbraw/zinc/00/99/06/884009906.db2.gz KFPPHMLZFVWYPA-JTQLQIEISA-N 1 2 265.317 -1.111 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)Cc2cc[nH]n2)C1 ZINC001010404452 884009922 /nfs/dbraw/zinc/00/99/22/884009922.db2.gz KFPPHMLZFVWYPA-JTQLQIEISA-N 1 2 265.317 -1.111 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001015774121 884010371 /nfs/dbraw/zinc/01/03/71/884010371.db2.gz VMTAWDKCGALSID-BQBZGAKWSA-N 1 2 283.288 -2.740 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001015774121 884010382 /nfs/dbraw/zinc/01/03/82/884010382.db2.gz VMTAWDKCGALSID-BQBZGAKWSA-N 1 2 283.288 -2.740 20 0 CAADLO Cn1nnc(C[NH2+][C@H]2C[C@@H](NC(=O)c3cnnn3C)C2)n1 ZINC001022030504 884011432 /nfs/dbraw/zinc/01/14/32/884011432.db2.gz RQDBCSARFARUJG-OCAPTIKFSA-N 1 2 291.319 -1.611 20 0 CAADLO C[C@H](O)C[NH+]1CC(NC(=O)[C@@H]2CCCN(C(N)=O)C2)C1 ZINC001030634568 884015672 /nfs/dbraw/zinc/01/56/72/884015672.db2.gz NOZSVYDFOQCJLN-VHSXEESVSA-N 1 2 284.360 -1.042 20 0 CAADLO C[C@@H]1OCCO[C@@H]1C(=O)N1CC[C@H]2C[N@H+](CC(N)=O)C[C@H]21 ZINC001075903254 884025504 /nfs/dbraw/zinc/02/55/04/884025504.db2.gz UKUARCASCIGBRH-KQXIARHKSA-N 1 2 297.355 -1.192 20 0 CAADLO C[C@@H]1OCCO[C@@H]1C(=O)N1CC[C@H]2C[N@@H+](CC(N)=O)C[C@H]21 ZINC001075903254 884025520 /nfs/dbraw/zinc/02/55/20/884025520.db2.gz UKUARCASCIGBRH-KQXIARHKSA-N 1 2 297.355 -1.192 20 0 CAADLO CC(=O)N1CC(C(=O)N(C)C[C@H]2CC[N@H+]2[C@@H](C)C(N)=O)C1 ZINC001085567260 884031490 /nfs/dbraw/zinc/03/14/90/884031490.db2.gz DGGVFHGEYQDASA-JOYOIKCWSA-N 1 2 296.371 -1.129 20 0 CAADLO CC(=O)N1CC(C(=O)N(C)C[C@H]2CC[N@@H+]2[C@@H](C)C(N)=O)C1 ZINC001085567260 884031508 /nfs/dbraw/zinc/03/15/08/884031508.db2.gz DGGVFHGEYQDASA-JOYOIKCWSA-N 1 2 296.371 -1.129 20 0 CAADLO CN(C)C(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1COC(=O)N1 ZINC001085575858 884032777 /nfs/dbraw/zinc/03/27/77/884032777.db2.gz GFOXCOHTZAJVIH-VHSXEESVSA-N 1 2 298.343 -1.284 20 0 CAADLO CN(C)C(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1COC(=O)N1 ZINC001085575858 884032795 /nfs/dbraw/zinc/03/27/95/884032795.db2.gz GFOXCOHTZAJVIH-VHSXEESVSA-N 1 2 298.343 -1.284 20 0 CAADLO C[C@@H]1[C@@H](NC(=O)Cc2nc[nH]n2)CC[N@H+]1CC(N)=O ZINC001088969688 884035350 /nfs/dbraw/zinc/03/53/50/884035350.db2.gz KBWBUFZRIACBDX-SFYZADRCSA-N 1 2 266.305 -1.589 20 0 CAADLO C[C@@H]1[C@@H](NC(=O)Cc2nc[nH]n2)CC[N@@H+]1CC(N)=O ZINC001088969688 884035332 /nfs/dbraw/zinc/03/53/32/884035332.db2.gz KBWBUFZRIACBDX-SFYZADRCSA-N 1 2 266.305 -1.589 20 0 CAADLO CC(=O)NCC[NH+]1CCN(c2nccn3nnnc23)CC1 ZINC001096259815 884036110 /nfs/dbraw/zinc/03/61/10/884036110.db2.gz LECBEPDHSOTYOA-UHFFFAOYSA-N 1 2 290.331 -1.223 20 0 CAADLO CO[C@@H](C)C(=O)N1CC(n2cc(C[NH2+]CC(N)=O)nn2)C1 ZINC001105176654 884037654 /nfs/dbraw/zinc/03/76/54/884037654.db2.gz STKYMAKOTBNGMS-QMMMGPOBSA-N 1 2 296.331 -1.729 20 0 CAADLO NC(=O)NCC(=O)N1CC(n2cc(C[NH2+]CCF)nn2)C1 ZINC001105155652 884040187 /nfs/dbraw/zinc/04/01/87/884040187.db2.gz ORXKGTMQLVYTLD-UHFFFAOYSA-N 1 2 299.310 -1.611 20 0 CAADLO NC(=O)C[NH2+]Cc1cn(C2CN(C(=O)CC(N)=O)C2)nn1 ZINC001105197393 884040519 /nfs/dbraw/zinc/04/05/19/884040519.db2.gz RMSKSJVVKOVEPU-UHFFFAOYSA-N 1 2 295.303 -2.888 20 0 CAADLO CCOCC(=O)N1CC(n2cc(C[NH2+]CC(N)=O)nn2)C1 ZINC001105146750 884040620 /nfs/dbraw/zinc/04/06/20/884040620.db2.gz KHGRGNZIXJMREF-UHFFFAOYSA-N 1 2 296.331 -1.727 20 0 CAADLO C[C@H]1C[C@H]1C(=O)N1CC(n2cc(C[NH2+]CC(N)=O)nn2)C1 ZINC001105145213 884040775 /nfs/dbraw/zinc/04/07/75/884040775.db2.gz RWCBZSZXRJVSMY-GZMMTYOYSA-N 1 2 292.343 -1.108 20 0 CAADLO CNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)C(N)=O)C2 ZINC001110691746 884041653 /nfs/dbraw/zinc/04/16/53/884041653.db2.gz XZXRJAMKDWMWRD-BBBLOLIVSA-N 1 2 296.371 -1.035 20 0 CAADLO CNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)C(N)=O)C2 ZINC001110691746 884041669 /nfs/dbraw/zinc/04/16/69/884041669.db2.gz XZXRJAMKDWMWRD-BBBLOLIVSA-N 1 2 296.371 -1.035 20 0 CAADLO CC(C)(C(N)=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(N)=O ZINC001110691424 884041722 /nfs/dbraw/zinc/04/17/22/884041722.db2.gz LXBUDUJAOCXFPH-HLTSFMKQSA-N 1 2 282.344 -1.295 20 0 CAADLO CC(C)(C(N)=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(N)=O ZINC001110691424 884041737 /nfs/dbraw/zinc/04/17/37/884041737.db2.gz LXBUDUJAOCXFPH-HLTSFMKQSA-N 1 2 282.344 -1.295 20 0 CAADLO COCc1noc(C[NH2+]CCNC(=O)c2cn(C)nn2)n1 ZINC001126667729 884056665 /nfs/dbraw/zinc/05/66/65/884056665.db2.gz QUPUNJUGNONKLQ-UHFFFAOYSA-N 1 2 295.303 -1.136 20 0 CAADLO NC(=O)c1ncn(CC(=O)NCC[NH2+]Cc2cnon2)n1 ZINC001127653069 884058573 /nfs/dbraw/zinc/05/85/73/884058573.db2.gz KGWGGSKOZKDXIE-UHFFFAOYSA-N 1 2 294.275 -2.334 20 0 CAADLO NC(=O)c1n[nH]cc1NC[C@@H](O)C[NH+]1CCOCC1 ZINC001251008117 884080546 /nfs/dbraw/zinc/08/05/46/884080546.db2.gz YFCISMOYJVYEBO-MRVPVSSYSA-N 1 2 269.305 -1.386 20 0 CAADLO COC(=O)C1CN(C[C@@H](O)C[NH+]2CCOCC2)C1 ZINC001251009455 884080846 /nfs/dbraw/zinc/08/08/46/884080846.db2.gz NXRSJWJIFFSTQI-NSHDSACASA-N 1 2 258.318 -1.216 20 0 CAADLO COC(=O)C1CN(C[C@H](O)C[NH+]2CCOCC2)C1 ZINC001251009454 884081006 /nfs/dbraw/zinc/08/10/06/884081006.db2.gz NXRSJWJIFFSTQI-LLVKDONJSA-N 1 2 258.318 -1.216 20 0 CAADLO Cc1nn(C)c(NC[C@@H](O)C[NH+]2CCOCC2)c1C(N)=O ZINC001251004145 884081034 /nfs/dbraw/zinc/08/10/34/884081034.db2.gz SPWCBPIBPPFSGS-SNVBAGLBSA-N 1 2 297.359 -1.068 20 0 CAADLO NC(=O)c1cnc(NC[C@@H](O)C[NH+]2CCOCC2)cn1 ZINC001251006169 884081276 /nfs/dbraw/zinc/08/12/76/884081276.db2.gz DIQCUHLEASFLQW-SECBINFHSA-N 1 2 281.316 -1.320 20 0 CAADLO OCCn1cc(NC[C@@H](O)C[NH+]2CCOCC2)cn1 ZINC001251007594 884081379 /nfs/dbraw/zinc/08/13/79/884081379.db2.gz WZEGLECMBPSBBS-GFCCVEGCSA-N 1 2 270.333 -1.020 20 0 CAADLO CC(C)(C)OC(=O)[C@@H](O)C[NH+]1CCN(CC(N)=O)CC1 ZINC001253682404 884084124 /nfs/dbraw/zinc/08/41/24/884084124.db2.gz AHADIYTXYSYIOF-JTQLQIEISA-N 1 2 287.360 -1.208 20 0 CAADLO CN(C(=O)Cc1nnc[nH]1)C1C[NH+](CCOCCO)C1 ZINC001269875104 884096318 /nfs/dbraw/zinc/09/63/18/884096318.db2.gz HFBXRSAUEKNTPD-UHFFFAOYSA-N 1 2 283.332 -1.501 20 0 CAADLO COCC[NH+]1CC(N(C)C(=O)CCNC(N)=O)C1 ZINC001269887460 884096547 /nfs/dbraw/zinc/09/65/47/884096547.db2.gz ZYRWOYLTYNHOMR-UHFFFAOYSA-N 1 2 258.322 -1.166 20 0 CAADLO CN(C)C(=O)C[N@@H+]1CC[C@@](C)(NC(=O)C(N)=O)C1 ZINC001278420978 884104461 /nfs/dbraw/zinc/10/44/61/884104461.db2.gz QTDYDJMMQGQULM-LLVKDONJSA-N 1 2 256.306 -1.860 20 0 CAADLO CN(C)C(=O)C[N@H+]1CC[C@@](C)(NC(=O)C(N)=O)C1 ZINC001278420978 884104470 /nfs/dbraw/zinc/10/44/70/884104470.db2.gz QTDYDJMMQGQULM-LLVKDONJSA-N 1 2 256.306 -1.860 20 0 CAADLO NC(=O)C(=O)NCC1([NH2+]Cc2cnon2)CCOCC1 ZINC001278718144 884105889 /nfs/dbraw/zinc/10/58/89/884105889.db2.gz HDTSPPXYWMWDCW-UHFFFAOYSA-N 1 2 283.288 -1.690 20 0 CAADLO Cn1cc(C[NH2+][C@@H](CO)CNC(=O)C(C)(C)C(N)=O)nn1 ZINC001278099129 884105984 /nfs/dbraw/zinc/10/59/84/884105984.db2.gz DSSWMCXGAPLCMN-SECBINFHSA-N 1 2 298.347 -2.107 20 0 CAADLO CN(C[C@H](O)C[N@H+](C)CC(N)=O)C(=O)C(=O)C(C)(C)C ZINC001278849372 884107179 /nfs/dbraw/zinc/10/71/79/884107179.db2.gz CGZYIXBXKWNJJY-SECBINFHSA-N 1 2 287.360 -1.162 20 0 CAADLO CN(C[C@H](O)C[N@@H+](C)CC(N)=O)C(=O)C(=O)C(C)(C)C ZINC001278849372 884107186 /nfs/dbraw/zinc/10/71/86/884107186.db2.gz CGZYIXBXKWNJJY-SECBINFHSA-N 1 2 287.360 -1.162 20 0 CAADLO NC(=O)CC(=O)NC[C@H]1C[N@H+](CC(N)=O)CCC1(F)F ZINC001278740879 884107575 /nfs/dbraw/zinc/10/75/75/884107575.db2.gz JKYGJWJNWASFDT-ZETCQYMHSA-N 1 2 292.286 -1.580 20 0 CAADLO NC(=O)CC(=O)NC[C@H]1C[N@@H+](CC(N)=O)CCC1(F)F ZINC001278740879 884107582 /nfs/dbraw/zinc/10/75/82/884107582.db2.gz JKYGJWJNWASFDT-ZETCQYMHSA-N 1 2 292.286 -1.580 20 0 CAADLO O=C(Cc1[nH]cc[nH+]1)NCCNC(=O)[C@H]1CNC(=O)N1 ZINC001283151226 884110679 /nfs/dbraw/zinc/11/06/79/884110679.db2.gz LBEWBULRTJEPJN-SSDOTTSWSA-N 1 2 280.288 -2.134 20 0 CAADLO Cn1c[nH+]cc1CC(=O)NC[C@@H]1CCCN1C(=O)C(N)=O ZINC001284680120 884111893 /nfs/dbraw/zinc/11/18/93/884111893.db2.gz COTISEULICGOHN-VIFPVBQESA-N 1 2 293.327 -1.445 20 0 CAADLO O=C(Cc1nc[nH]n1)NCCNC(=O)Cn1cc[nH+]c1 ZINC001292936216 884113435 /nfs/dbraw/zinc/11/34/35/884113435.db2.gz PJFUGLXJUKTAIV-UHFFFAOYSA-N 1 2 277.288 -1.524 20 0 CAADLO CON1CC[C@@H]([N@@H+]2CC[C@H]3OCC(=O)N[C@@H]3C2)C1=O ZINC001307821898 884123014 /nfs/dbraw/zinc/12/30/14/884123014.db2.gz RIICRRYPKXTTTD-OPRDCNLKSA-N 1 2 269.301 -1.262 20 0 CAADLO CON1CC[C@@H]([N@H+]2CC[C@H]3OCC(=O)N[C@@H]3C2)C1=O ZINC001307821898 884123043 /nfs/dbraw/zinc/12/30/43/884123043.db2.gz RIICRRYPKXTTTD-OPRDCNLKSA-N 1 2 269.301 -1.262 20 0 CAADLO Cn1ncnc1C1(O)CC[NH+]([C@@H]2CCNC2=O)CC1 ZINC001308048269 884127767 /nfs/dbraw/zinc/12/77/67/884127767.db2.gz YICBESSSTGUUSI-SECBINFHSA-N 1 2 265.317 -1.013 20 0 CAADLO C[C@@]1(CO)C[C@@H](O)C[N@@H+]1Cc1cn(CC(N)=O)nn1 ZINC001308873052 884131278 /nfs/dbraw/zinc/13/12/78/884131278.db2.gz WALSMHHBXHPHNS-KOLCDFICSA-N 1 2 269.305 -1.919 20 0 CAADLO C[C@@]1(CO)C[C@@H](O)C[N@H+]1Cc1cn(CC(N)=O)nn1 ZINC001308873052 884131289 /nfs/dbraw/zinc/13/12/89/884131289.db2.gz WALSMHHBXHPHNS-KOLCDFICSA-N 1 2 269.305 -1.919 20 0 CAADLO O=C(NCCn1cc[nH+]c1)N1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC001311714548 884141198 /nfs/dbraw/zinc/14/11/98/884141198.db2.gz VTYPKBGIRPSHDB-DTORHVGOSA-N 1 2 277.284 -1.203 20 0 CAADLO O=C(CO[C@@H]1CCOC1)N1CC[NH+](CCO)CC1 ZINC001313444770 884150047 /nfs/dbraw/zinc/15/00/47/884150047.db2.gz JCRWQDRAZAPDES-LLVKDONJSA-N 1 2 258.318 -1.072 20 0 CAADLO CN(C[C@H]1CC[N@@H+]1CCNC(=O)C1CC1)C(=O)C(N)=O ZINC001316602558 884150144 /nfs/dbraw/zinc/15/01/44/884150144.db2.gz BCCTWXUUQAJPJC-SNVBAGLBSA-N 1 2 282.344 -1.469 20 0 CAADLO CN(C[C@H]1CC[N@H+]1CCNC(=O)C1CC1)C(=O)C(N)=O ZINC001316602558 884150149 /nfs/dbraw/zinc/15/01/49/884150149.db2.gz BCCTWXUUQAJPJC-SNVBAGLBSA-N 1 2 282.344 -1.469 20 0 CAADLO Cn1nnc(C[NH2+][C@H]2C[C@H](CNC(=O)C(N)=O)C2)n1 ZINC001316637469 884154274 /nfs/dbraw/zinc/15/42/74/884154274.db2.gz LQWXDLZLIRORJY-LJGSYFOKSA-N 1 2 267.293 -2.320 20 0 CAADLO CNC(=O)NC(=O)C[N@H+](C)CCCNC(=O)c1ncn[nH]1 ZINC001316855998 884157267 /nfs/dbraw/zinc/15/72/67/884157267.db2.gz XXFYELSYFBCXGE-UHFFFAOYSA-N 1 2 297.319 -1.688 20 0 CAADLO CNC(=O)NC(=O)C[N@@H+](C)CCCNC(=O)c1ncn[nH]1 ZINC001316855998 884157271 /nfs/dbraw/zinc/15/72/71/884157271.db2.gz XXFYELSYFBCXGE-UHFFFAOYSA-N 1 2 297.319 -1.688 20 0 CAADLO CNC(=O)NC(=O)C[N@H+](C)CCCNC(=O)c1nc[nH]n1 ZINC001316855998 884157278 /nfs/dbraw/zinc/15/72/78/884157278.db2.gz XXFYELSYFBCXGE-UHFFFAOYSA-N 1 2 297.319 -1.688 20 0 CAADLO CNC(=O)NC(=O)C[N@@H+](C)CCCNC(=O)c1nc[nH]n1 ZINC001316855998 884157283 /nfs/dbraw/zinc/15/72/83/884157283.db2.gz XXFYELSYFBCXGE-UHFFFAOYSA-N 1 2 297.319 -1.688 20 0 CAADLO Cn1cnnc1C[N@H+](C)CCCNC(=O)CCNC(N)=O ZINC001316864664 884158343 /nfs/dbraw/zinc/15/83/43/884158343.db2.gz NLNLWMUUSJWSJD-UHFFFAOYSA-N 1 2 297.363 -1.188 20 0 CAADLO Cn1cnnc1C[N@@H+](C)CCCNC(=O)CCNC(N)=O ZINC001316864664 884158349 /nfs/dbraw/zinc/15/83/49/884158349.db2.gz NLNLWMUUSJWSJD-UHFFFAOYSA-N 1 2 297.363 -1.188 20 0 CAADLO CNC(=O)NCC(=O)N[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001316981186 884163879 /nfs/dbraw/zinc/16/38/79/884163879.db2.gz SJVMHPRTNSWSSB-SSDOTTSWSA-N 1 2 257.294 -2.409 20 0 CAADLO CNC(=O)NCC(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001316981186 884163886 /nfs/dbraw/zinc/16/38/86/884163886.db2.gz SJVMHPRTNSWSSB-SSDOTTSWSA-N 1 2 257.294 -2.409 20 0 CAADLO C[C@H](NC(=O)C[N@@H+]1CC[C@H](NC(=O)CC(N)=O)C1)C1CC1 ZINC001316975829 884164856 /nfs/dbraw/zinc/16/48/56/884164856.db2.gz ZZHBFTIMDCFKDR-ONGXEEELSA-N 1 2 296.371 -1.033 20 0 CAADLO C[C@H](NC(=O)C[N@H+]1CC[C@H](NC(=O)CC(N)=O)C1)C1CC1 ZINC001316975829 884164864 /nfs/dbraw/zinc/16/48/64/884164864.db2.gz ZZHBFTIMDCFKDR-ONGXEEELSA-N 1 2 296.371 -1.033 20 0 CAADLO C[C@@H](NC(=O)C[N@@H+]1CC[C@H](NC(=O)CC(N)=O)C1)C1CC1 ZINC001316975826 884164975 /nfs/dbraw/zinc/16/49/75/884164975.db2.gz ZZHBFTIMDCFKDR-KOLCDFICSA-N 1 2 296.371 -1.033 20 0 CAADLO C[C@@H](NC(=O)C[N@H+]1CC[C@H](NC(=O)CC(N)=O)C1)C1CC1 ZINC001316975826 884164981 /nfs/dbraw/zinc/16/49/81/884164981.db2.gz ZZHBFTIMDCFKDR-KOLCDFICSA-N 1 2 296.371 -1.033 20 0 CAADLO CC(=O)N[C@@H](C)C(=O)N[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001316969995 884165289 /nfs/dbraw/zinc/16/52/89/884165289.db2.gz VDVOJGYVBJWOQJ-CBAPKCEASA-N 1 2 256.306 -1.813 20 0 CAADLO CC(=O)N[C@@H](C)C(=O)N[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001316969995 884165290 /nfs/dbraw/zinc/16/52/90/884165290.db2.gz VDVOJGYVBJWOQJ-CBAPKCEASA-N 1 2 256.306 -1.813 20 0 CAADLO CNC(=O)NCC(=O)N[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001316981187 884165303 /nfs/dbraw/zinc/16/53/03/884165303.db2.gz SJVMHPRTNSWSSB-ZETCQYMHSA-N 1 2 257.294 -2.409 20 0 CAADLO CNC(=O)NCC(=O)N[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001316981187 884165304 /nfs/dbraw/zinc/16/53/04/884165304.db2.gz SJVMHPRTNSWSSB-ZETCQYMHSA-N 1 2 257.294 -2.409 20 0 CAADLO CNC(=O)C1(C(=O)N[C@@H]2CCC[N@H+](CC(N)=O)C2)CCC1 ZINC001316952626 884165416 /nfs/dbraw/zinc/16/54/16/884165416.db2.gz HZEPRYLRARQTKJ-SNVBAGLBSA-N 1 2 296.371 -1.031 20 0 CAADLO CNC(=O)C1(C(=O)N[C@@H]2CCC[N@@H+](CC(N)=O)C2)CCC1 ZINC001316952626 884165421 /nfs/dbraw/zinc/16/54/21/884165421.db2.gz HZEPRYLRARQTKJ-SNVBAGLBSA-N 1 2 296.371 -1.031 20 0 CAADLO CN(C)c1noc(C[NH2+][C@H](CNC(=O)C(N)=O)C2CC2)n1 ZINC001317021945 884167724 /nfs/dbraw/zinc/16/77/24/884167724.db2.gz AFWRSUCSRYKJEA-MRVPVSSYSA-N 1 2 296.331 -1.395 20 0 CAADLO COC[C@H](O)C[N@H+]1CC[C@H](NC(=O)c2nc[nH]n2)C1 ZINC001316989995 884168409 /nfs/dbraw/zinc/16/84/09/884168409.db2.gz JHWLDFOOOZMFHG-DTWKUNHWSA-N 1 2 269.305 -1.384 20 0 CAADLO COC[C@H](O)C[N@@H+]1CC[C@H](NC(=O)c2nc[nH]n2)C1 ZINC001316989995 884168398 /nfs/dbraw/zinc/16/83/98/884168398.db2.gz JHWLDFOOOZMFHG-DTWKUNHWSA-N 1 2 269.305 -1.384 20 0 CAADLO Cc1nonc1C[NH2+][C@@H](CNC(=O)C(N)=O)C1CC1 ZINC001317023406 884169142 /nfs/dbraw/zinc/16/91/42/884169142.db2.gz QBMCUMFEOWGJEA-VIFPVBQESA-N 1 2 267.289 -1.152 20 0 CAADLO CC(C)N(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)C(N)=O)C1 ZINC001316986936 884169462 /nfs/dbraw/zinc/16/94/62/884169462.db2.gz UCGLROQHJPQBHE-VIFPVBQESA-N 1 2 270.333 -1.471 20 0 CAADLO CC(C)N(C)C(=O)C[N@H+]1CC[C@H](NC(=O)C(N)=O)C1 ZINC001316986936 884169471 /nfs/dbraw/zinc/16/94/71/884169471.db2.gz UCGLROQHJPQBHE-VIFPVBQESA-N 1 2 270.333 -1.471 20 0 CAADLO NC(=O)C(=O)NC[C@H]1CCCC[N@@H+]1CC(=O)NCC1CC1 ZINC001317179462 884174753 /nfs/dbraw/zinc/17/47/53/884174753.db2.gz SVYRCJWLGGZNMU-LLVKDONJSA-N 1 2 296.371 -1.031 20 0 CAADLO NC(=O)C(=O)NC[C@H]1CCCC[N@H+]1CC(=O)NCC1CC1 ZINC001317179462 884174778 /nfs/dbraw/zinc/17/47/78/884174778.db2.gz SVYRCJWLGGZNMU-LLVKDONJSA-N 1 2 296.371 -1.031 20 0 CAADLO CCN(C)C(=O)C[N@@H+]1CCCC[C@@H]1CNC(=O)C(N)=O ZINC001317176773 884175455 /nfs/dbraw/zinc/17/54/55/884175455.db2.gz DZXNHWHESNSPKJ-SNVBAGLBSA-N 1 2 284.360 -1.079 20 0 CAADLO CCN(C)C(=O)C[N@H+]1CCCC[C@@H]1CNC(=O)C(N)=O ZINC001317176773 884175458 /nfs/dbraw/zinc/17/54/58/884175458.db2.gz DZXNHWHESNSPKJ-SNVBAGLBSA-N 1 2 284.360 -1.079 20 0 CAADLO Cn1ncc(C[N@@H+]2CCC[C@H](CNC(=O)C(N)=O)C2)n1 ZINC001317135966 884175617 /nfs/dbraw/zinc/17/56/17/884175617.db2.gz VRRWFEDMQAGKIE-SECBINFHSA-N 1 2 280.332 -1.371 20 0 CAADLO Cn1ncc(C[N@H+]2CCC[C@H](CNC(=O)C(N)=O)C2)n1 ZINC001317135966 884175625 /nfs/dbraw/zinc/17/56/25/884175625.db2.gz VRRWFEDMQAGKIE-SECBINFHSA-N 1 2 280.332 -1.371 20 0 CAADLO Cn1ncc(C[N@@H+]2CCC[C@@H](CNC(=O)C(N)=O)C2)n1 ZINC001317135967 884175761 /nfs/dbraw/zinc/17/57/61/884175761.db2.gz VRRWFEDMQAGKIE-VIFPVBQESA-N 1 2 280.332 -1.371 20 0 CAADLO Cn1ncc(C[N@H+]2CCC[C@@H](CNC(=O)C(N)=O)C2)n1 ZINC001317135967 884175764 /nfs/dbraw/zinc/17/57/64/884175764.db2.gz VRRWFEDMQAGKIE-VIFPVBQESA-N 1 2 280.332 -1.371 20 0 CAADLO C[C@@H](CNC(=O)C(N)=O)[NH2+]Cc1cc(=O)n2[nH]ccc2n1 ZINC001317262960 884181333 /nfs/dbraw/zinc/18/13/33/884181333.db2.gz AKIHLCADRULWDK-ZETCQYMHSA-N 1 2 292.299 -1.898 20 0 CAADLO C[C@@H](CNC(=O)c1nnn(C)n1)[NH2+]Cc1cnon1 ZINC001317261465 884183509 /nfs/dbraw/zinc/18/35/09/884183509.db2.gz IVWIKUZAPAKXDY-LURJTMIESA-N 1 2 266.265 -1.499 20 0 CAADLO CCNC(=O)C[N@@H+](C)CCNC(=O)Cn1cnnn1 ZINC001317436318 884192171 /nfs/dbraw/zinc/19/21/71/884192171.db2.gz HHLAVHMICLMEPU-UHFFFAOYSA-N 1 2 269.309 -2.143 20 0 CAADLO CCNC(=O)C[N@H+](C)CCNC(=O)Cn1cnnn1 ZINC001317436318 884192161 /nfs/dbraw/zinc/19/21/61/884192161.db2.gz HHLAVHMICLMEPU-UHFFFAOYSA-N 1 2 269.309 -2.143 20 0 CAADLO CN(C)C(=O)C[N@H+](C)CCNC(=O)CN1C(=O)CCC1=O ZINC001317470582 884199013 /nfs/dbraw/zinc/19/90/13/884199013.db2.gz RHMMOXSAIKVBRG-UHFFFAOYSA-N 1 2 298.343 -1.728 20 0 CAADLO CN(C)C(=O)C[N@@H+](C)CCNC(=O)CN1C(=O)CCC1=O ZINC001317470582 884199021 /nfs/dbraw/zinc/19/90/21/884199021.db2.gz RHMMOXSAIKVBRG-UHFFFAOYSA-N 1 2 298.343 -1.728 20 0 CAADLO C[N@H+](CCNC(=O)C(=O)NCC1CC1)CC(N)=O ZINC001317467081 884199974 /nfs/dbraw/zinc/19/99/74/884199974.db2.gz CGMLNWQUMHKJGC-UHFFFAOYSA-N 1 2 256.306 -1.954 20 0 CAADLO C[N@@H+](CCNC(=O)C(=O)NCC1CC1)CC(N)=O ZINC001317467081 884199985 /nfs/dbraw/zinc/19/99/85/884199985.db2.gz CGMLNWQUMHKJGC-UHFFFAOYSA-N 1 2 256.306 -1.954 20 0 CAADLO Cn1cc(C(=O)NCC[N@H+](C)CC(N)=O)n(C)c1=O ZINC001317472240 884202624 /nfs/dbraw/zinc/20/26/24/884202624.db2.gz YISNFMKLJOUTLH-UHFFFAOYSA-N 1 2 269.305 -2.129 20 0 CAADLO Cn1cc(C(=O)NCC[N@@H+](C)CC(N)=O)n(C)c1=O ZINC001317472240 884202644 /nfs/dbraw/zinc/20/26/44/884202644.db2.gz YISNFMKLJOUTLH-UHFFFAOYSA-N 1 2 269.305 -2.129 20 0 CAADLO CC[N@H+](CCNC(=O)C(N)=O)CC(=O)NCc1ccco1 ZINC001317483629 884206797 /nfs/dbraw/zinc/20/67/97/884206797.db2.gz HRICLUXIKHSCFX-UHFFFAOYSA-N 1 2 296.327 -1.181 20 0 CAADLO CC[N@@H+](CCNC(=O)C(N)=O)CC(=O)NCc1ccco1 ZINC001317483629 884206816 /nfs/dbraw/zinc/20/68/16/884206816.db2.gz HRICLUXIKHSCFX-UHFFFAOYSA-N 1 2 296.327 -1.181 20 0 CAADLO CC[N@H+](CCNC(=O)C(N)=O)Cc1cncc(OC)n1 ZINC001317485243 884208604 /nfs/dbraw/zinc/20/86/04/884208604.db2.gz XONBHDLCEZKNBF-UHFFFAOYSA-N 1 2 281.316 -1.091 20 0 CAADLO CC[N@@H+](CCNC(=O)C(N)=O)Cc1cncc(OC)n1 ZINC001317485243 884208625 /nfs/dbraw/zinc/20/86/25/884208625.db2.gz XONBHDLCEZKNBF-UHFFFAOYSA-N 1 2 281.316 -1.091 20 0 CAADLO CN(C)C(=O)C[N@@H+]1CCC[C@H]1CNC(=O)C(N)=O ZINC001317506704 884210499 /nfs/dbraw/zinc/21/04/99/884210499.db2.gz CUZRHDYUEFFNMS-QMMMGPOBSA-N 1 2 256.306 -1.860 20 0 CAADLO CN(C)C(=O)C[N@H+]1CCC[C@H]1CNC(=O)C(N)=O ZINC001317506704 884210518 /nfs/dbraw/zinc/21/05/18/884210518.db2.gz CUZRHDYUEFFNMS-QMMMGPOBSA-N 1 2 256.306 -1.860 20 0 CAADLO CC(C)(C)NC(=O)C[N@@H+](CCNC(=O)C(N)=O)C1CC1 ZINC001317556870 884213458 /nfs/dbraw/zinc/21/34/58/884213458.db2.gz QSQXANFXHFUJOP-UHFFFAOYSA-N 1 2 284.360 -1.033 20 0 CAADLO CC(C)(C)NC(=O)C[N@H+](CCNC(=O)C(N)=O)C1CC1 ZINC001317556870 884213451 /nfs/dbraw/zinc/21/34/51/884213451.db2.gz QSQXANFXHFUJOP-UHFFFAOYSA-N 1 2 284.360 -1.033 20 0 CAADLO CCC[N@H+](CCNC(=O)C(N)=O)Cc1nc(=O)n(C)[nH]1 ZINC001317548251 884216006 /nfs/dbraw/zinc/21/60/06/884216006.db2.gz TXEJYIBFUFZAJJ-UHFFFAOYSA-N 1 2 284.320 -2.078 20 0 CAADLO CCC[N@@H+](CCNC(=O)C(N)=O)Cc1nc(=O)n(C)[nH]1 ZINC001317548251 884216025 /nfs/dbraw/zinc/21/60/25/884216025.db2.gz TXEJYIBFUFZAJJ-UHFFFAOYSA-N 1 2 284.320 -2.078 20 0 CAADLO Cc1noc(C[N@@H+]2CC[C@@H](CNC(=O)C(N)=O)C2)n1 ZINC001317538652 884216811 /nfs/dbraw/zinc/21/68/11/884216811.db2.gz XYTLLAWIHVNDQZ-QMMMGPOBSA-N 1 2 267.289 -1.199 20 0 CAADLO Cc1noc(C[N@H+]2CC[C@@H](CNC(=O)C(N)=O)C2)n1 ZINC001317538652 884216824 /nfs/dbraw/zinc/21/68/24/884216824.db2.gz XYTLLAWIHVNDQZ-QMMMGPOBSA-N 1 2 267.289 -1.199 20 0 CAADLO CN(C)c1noc(C[NH2+]CCN(C)C(=O)CC(N)=O)n1 ZINC001317577522 884223762 /nfs/dbraw/zinc/22/37/62/884223762.db2.gz PJLFBDUHGHZEBT-UHFFFAOYSA-N 1 2 284.320 -1.441 20 0 CAADLO CN(CC[NH2+]Cc1nc(=O)n(C)[nH]1)C(=O)c1cccnn1 ZINC001317642994 884232185 /nfs/dbraw/zinc/23/21/85/884232185.db2.gz MOYZWYCFUNLBHP-UHFFFAOYSA-N 1 2 291.315 -1.240 20 0 CAADLO CCc1noc(C[NH2+]CCN(C)C(=O)[C@@H]2CNC(=O)N2)n1 ZINC001317633172 884233382 /nfs/dbraw/zinc/23/33/82/884233382.db2.gz HYHIQUVHZOPTHY-QMMMGPOBSA-N 1 2 296.331 -1.139 20 0 CAADLO Cc1nonc1C(=O)N(C)CC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001317667475 884235665 /nfs/dbraw/zinc/23/56/65/884235665.db2.gz ABNQXKODCWTISZ-UHFFFAOYSA-N 1 2 295.303 -1.338 20 0 CAADLO CC(=O)NCC(=O)N[C@H]1CCC[N@H+](CC(N)=O)C1 ZINC001317957150 884240484 /nfs/dbraw/zinc/24/04/84/884240484.db2.gz UEMCHSMKVHNZSU-VIFPVBQESA-N 1 2 256.306 -1.812 20 0 CAADLO CC(=O)NCC(=O)N[C@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001317957150 884240500 /nfs/dbraw/zinc/24/05/00/884240500.db2.gz UEMCHSMKVHNZSU-VIFPVBQESA-N 1 2 256.306 -1.812 20 0 CAADLO CC(C)(O)CC(=O)NC1C[NH+](CCOCCO)C1 ZINC001318020114 884249707 /nfs/dbraw/zinc/24/97/07/884249707.db2.gz IZKOBDBCTNBJKY-UHFFFAOYSA-N 1 2 260.334 -1.043 20 0 CAADLO CC(=O)N1CC(C(=O)NC2C[NH+](CCOCCO)C2)C1 ZINC001318018946 884245081 /nfs/dbraw/zinc/24/50/81/884245081.db2.gz VAUBMQNHKPNUSB-UHFFFAOYSA-N 1 2 285.344 -1.726 20 0 CAADLO COC[C@H](O)C[NH+]1CC(NC(=O)c2cnccn2)C1 ZINC001317995990 884245111 /nfs/dbraw/zinc/24/51/11/884245111.db2.gz YXZYCFPVMZPCAH-SNVBAGLBSA-N 1 2 266.301 -1.102 20 0 CAADLO O=C(C[C@H]1CCCC(=O)N1)NC1C[NH+](CCOCCO)C1 ZINC001318042138 884248926 /nfs/dbraw/zinc/24/89/26/884248926.db2.gz QMMUIPMPLAXAEG-LLVKDONJSA-N 1 2 299.371 -1.146 20 0 CAADLO CS(=O)(=O)CC(=O)NCC1C[NH+](CCO)C1 ZINC001318105087 884250889 /nfs/dbraw/zinc/25/08/89/884250889.db2.gz DQLBSMNZWYTTKB-UHFFFAOYSA-N 1 2 250.320 -1.929 20 0 CAADLO CCN(C(=O)C(N)=O)[C@H]1CC[N@@H+]([C@H](C)C(N)=O)C1 ZINC001318484806 884279499 /nfs/dbraw/zinc/27/94/99/884279499.db2.gz ZHGIZWAPEYWGRW-SFYZADRCSA-N 1 2 256.306 -1.732 20 0 CAADLO CCN(C(=O)C(N)=O)[C@H]1CC[N@H+]([C@H](C)C(N)=O)C1 ZINC001318484806 884279517 /nfs/dbraw/zinc/27/95/17/884279517.db2.gz ZHGIZWAPEYWGRW-SFYZADRCSA-N 1 2 256.306 -1.732 20 0 CAADLO Cn1cc(CC(=O)NCC2C[NH+](CC(N)=O)C2)cn1 ZINC001318105761 884252620 /nfs/dbraw/zinc/25/26/20/884252620.db2.gz CPEPAUOPLXMRHB-UHFFFAOYSA-N 1 2 265.317 -1.504 20 0 CAADLO CC(C)CNC(=O)C[NH+]1CC(CNC(=O)CC(N)=O)C1 ZINC001318110770 884252666 /nfs/dbraw/zinc/25/26/66/884252666.db2.gz XTZZPZKXPOJHLU-UHFFFAOYSA-N 1 2 284.360 -1.318 20 0 CAADLO CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2[C@H](C)C(=O)NC(N)=O ZINC001318183651 884257060 /nfs/dbraw/zinc/25/70/60/884257060.db2.gz ACOAWUBZSAGARP-YEPSODPASA-N 1 2 254.290 -1.125 20 0 CAADLO CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@H](C)C(=O)NC(N)=O ZINC001318183651 884257064 /nfs/dbraw/zinc/25/70/64/884257064.db2.gz ACOAWUBZSAGARP-YEPSODPASA-N 1 2 254.290 -1.125 20 0 CAADLO CNC(=O)C1(C(=O)NCC2C[NH+](CC(N)=O)C2)CC1 ZINC001318160720 884257113 /nfs/dbraw/zinc/25/71/13/884257113.db2.gz BUVLOZXOZMMAPA-UHFFFAOYSA-N 1 2 268.317 -1.954 20 0 CAADLO CNC(=O)C[NH+]1CC(CNC(=O)Cn2cncn2)C1 ZINC001318174027 884257962 /nfs/dbraw/zinc/25/79/62/884257962.db2.gz YFHFZLFXRKRAQV-UHFFFAOYSA-N 1 2 266.305 -1.928 20 0 CAADLO COCC1(C(=O)NCC2C[NH+](CC(N)=O)C2)CC1 ZINC001318138168 884258153 /nfs/dbraw/zinc/25/81/53/884258153.db2.gz BKAPNFRCBRQNDM-UHFFFAOYSA-N 1 2 255.318 -1.054 20 0 CAADLO CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2[C@@H](C)C(=O)NC(N)=O ZINC001318183650 884258879 /nfs/dbraw/zinc/25/88/79/884258879.db2.gz ACOAWUBZSAGARP-XVYDVKMFSA-N 1 2 254.290 -1.125 20 0 CAADLO CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@@H](C)C(=O)NC(N)=O ZINC001318183650 884258896 /nfs/dbraw/zinc/25/88/96/884258896.db2.gz ACOAWUBZSAGARP-XVYDVKMFSA-N 1 2 254.290 -1.125 20 0 CAADLO C[C@H](NC(N)=O)C(=O)N[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001318248041 884260266 /nfs/dbraw/zinc/26/02/66/884260266.db2.gz PHYREAGEJZFFPP-BQBZGAKWSA-N 1 2 257.294 -2.281 20 0 CAADLO C[C@H](NC(N)=O)C(=O)N[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001318248041 884260278 /nfs/dbraw/zinc/26/02/78/884260278.db2.gz PHYREAGEJZFFPP-BQBZGAKWSA-N 1 2 257.294 -2.281 20 0 CAADLO NC(=O)CC(=O)N[C@H]1CC[N@H+](CC(=O)NCC2CC2)C1 ZINC001318243872 884260715 /nfs/dbraw/zinc/26/07/15/884260715.db2.gz AKOPIMMBNOLYIU-JTQLQIEISA-N 1 2 282.344 -1.422 20 0 CAADLO NC(=O)CC(=O)N[C@H]1CC[N@@H+](CC(=O)NCC2CC2)C1 ZINC001318243872 884260723 /nfs/dbraw/zinc/26/07/23/884260723.db2.gz AKOPIMMBNOLYIU-JTQLQIEISA-N 1 2 282.344 -1.422 20 0 CAADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)CC(N)=O ZINC001319033814 884302977 /nfs/dbraw/zinc/30/29/77/884302977.db2.gz FHBSCQKRMWSSDO-VIFPVBQESA-N 1 2 259.306 -1.987 20 0 CAADLO CCCCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)C(N)=O)C1 ZINC001318351175 884268891 /nfs/dbraw/zinc/26/88/91/884268891.db2.gz CKTRKMNABISQEN-NXEZZACHSA-N 1 2 284.360 -1.033 20 0 CAADLO CCCCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](NC(=O)C(N)=O)C1 ZINC001318351175 884268905 /nfs/dbraw/zinc/26/89/05/884268905.db2.gz CKTRKMNABISQEN-NXEZZACHSA-N 1 2 284.360 -1.033 20 0 CAADLO CN1CC[N@H+](C)[C@@H](CNC(=S)NCC(N)=O)C1 ZINC001318376837 884269086 /nfs/dbraw/zinc/26/90/86/884269086.db2.gz VGAOOIFJNDLGRE-QMMMGPOBSA-N 1 2 259.379 -1.818 20 0 CAADLO CN1CC[N@@H+](C)[C@@H](CNC(=S)NCC(N)=O)C1 ZINC001318376837 884269105 /nfs/dbraw/zinc/26/91/05/884269105.db2.gz VGAOOIFJNDLGRE-QMMMGPOBSA-N 1 2 259.379 -1.818 20 0 CAADLO CNC(=O)C1(C(=O)N[C@@H]2CC[N@H+]([C@H](C)C(N)=O)C2)CC1 ZINC001318360850 884269546 /nfs/dbraw/zinc/26/95/46/884269546.db2.gz WPSKMQLWWZTDSB-RKDXNWHRSA-N 1 2 282.344 -1.423 20 0 CAADLO CNC(=O)C1(C(=O)N[C@@H]2CC[N@@H+]([C@H](C)C(N)=O)C2)CC1 ZINC001318360850 884269538 /nfs/dbraw/zinc/26/95/38/884269538.db2.gz WPSKMQLWWZTDSB-RKDXNWHRSA-N 1 2 282.344 -1.423 20 0 CAADLO CNC(=O)C1(C(=O)N[C@@H]2CC[N@@H+]([C@H](C)C(N)=O)C2)CCC1 ZINC001318367251 884271418 /nfs/dbraw/zinc/27/14/18/884271418.db2.gz RANBWKDWDRXZAN-NXEZZACHSA-N 1 2 296.371 -1.033 20 0 CAADLO CNC(=O)C1(C(=O)N[C@@H]2CC[N@H+]([C@H](C)C(N)=O)C2)CCC1 ZINC001318367251 884271437 /nfs/dbraw/zinc/27/14/37/884271437.db2.gz RANBWKDWDRXZAN-NXEZZACHSA-N 1 2 296.371 -1.033 20 0 CAADLO CN1CC[N@H+](C)[C@H](CNC(=S)NCC(N)=O)C1 ZINC001318376825 884271890 /nfs/dbraw/zinc/27/18/90/884271890.db2.gz VGAOOIFJNDLGRE-MRVPVSSYSA-N 1 2 259.379 -1.818 20 0 CAADLO CN1CC[N@@H+](C)[C@H](CNC(=S)NCC(N)=O)C1 ZINC001318376825 884271906 /nfs/dbraw/zinc/27/19/06/884271906.db2.gz VGAOOIFJNDLGRE-MRVPVSSYSA-N 1 2 259.379 -1.818 20 0 CAADLO CC(C)NC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)C(N)=O)C1 ZINC001318423331 884275799 /nfs/dbraw/zinc/27/57/99/884275799.db2.gz DXMFSJGLKHWSDZ-VIFPVBQESA-N 1 2 270.333 -1.471 20 0 CAADLO CC(C)NC(=O)C[N@H+]1CC[C@H](N(C)C(=O)C(N)=O)C1 ZINC001318423331 884275805 /nfs/dbraw/zinc/27/58/05/884275805.db2.gz DXMFSJGLKHWSDZ-VIFPVBQESA-N 1 2 270.333 -1.471 20 0 CAADLO CCNC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)C(N)=O)C1 ZINC001318425962 884276213 /nfs/dbraw/zinc/27/62/13/884276213.db2.gz RHOCGVPTUMNISW-QMMMGPOBSA-N 1 2 256.306 -1.860 20 0 CAADLO CCNC(=O)C[N@H+]1CC[C@H](N(C)C(=O)C(N)=O)C1 ZINC001318425962 884276224 /nfs/dbraw/zinc/27/62/24/884276224.db2.gz RHOCGVPTUMNISW-QMMMGPOBSA-N 1 2 256.306 -1.860 20 0 CAADLO CC[C@@H](CNC(=O)CC(N)=O)[NH2+]Cc1nnn(C)n1 ZINC001318511890 884280433 /nfs/dbraw/zinc/28/04/33/884280433.db2.gz LRNSYIFWQBJFTA-ZETCQYMHSA-N 1 2 269.309 -1.930 20 0 CAADLO CCCn1nnnc1C[NH2+][C@@H](CC)CNC(=O)C(N)=O ZINC001318570339 884284900 /nfs/dbraw/zinc/28/49/00/884284900.db2.gz ZMDPSBRSENCIHY-QMMMGPOBSA-N 1 2 283.336 -1.447 20 0 CAADLO C[N@@H+]1CCO[C@H](C(=O)Nc2ccn(CC(N)=O)n2)C1 ZINC001319027921 884305252 /nfs/dbraw/zinc/30/52/52/884305252.db2.gz ZSDYODBTELAULE-QMMMGPOBSA-N 1 2 267.289 -1.363 20 0 CAADLO C[N@H+]1CCO[C@H](C(=O)Nc2ccn(CC(N)=O)n2)C1 ZINC001319027921 884305269 /nfs/dbraw/zinc/30/52/69/884305269.db2.gz ZSDYODBTELAULE-QMMMGPOBSA-N 1 2 267.289 -1.363 20 0 CAADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NC1CC1 ZINC001319118102 884307292 /nfs/dbraw/zinc/30/72/92/884307292.db2.gz ACBMDIMIOSSBKY-NSHDSACASA-N 1 2 285.344 -1.584 20 0 CAADLO C[C@@H](NC(=O)C[NH+](CCO)CCO)C(=O)N(C)C ZINC001319181259 884313368 /nfs/dbraw/zinc/31/33/68/884313368.db2.gz IDMWVPXDFZZPBX-SECBINFHSA-N 1 2 261.322 -2.134 20 0 CAADLO O=C(Cc1cc[nH]n1)NC[C@H]1C[N@H+](CCO)CCO1 ZINC001319297377 884317156 /nfs/dbraw/zinc/31/71/56/884317156.db2.gz OMWOQKCZCBVIFD-NSHDSACASA-N 1 2 268.317 -1.239 20 0 CAADLO O=C(Cc1cc[nH]n1)NC[C@H]1C[N@@H+](CCO)CCO1 ZINC001319297377 884317175 /nfs/dbraw/zinc/31/71/75/884317175.db2.gz OMWOQKCZCBVIFD-NSHDSACASA-N 1 2 268.317 -1.239 20 0 CAADLO C=CC(=O)NCCC(=O)N[C@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001319337756 884320844 /nfs/dbraw/zinc/32/08/44/884320844.db2.gz STLUOFFEHADNPA-JTQLQIEISA-N 1 2 282.344 -1.255 20 0 CAADLO C=CC(=O)NCCC(=O)N[C@H]1CCC[N@H+](CC(N)=O)C1 ZINC001319337756 884320863 /nfs/dbraw/zinc/32/08/63/884320863.db2.gz STLUOFFEHADNPA-JTQLQIEISA-N 1 2 282.344 -1.255 20 0 CAADLO COCCOCC[N@@H+]1CCO[C@@H](CNC(=O)C(N)=O)C1 ZINC001319319224 884321439 /nfs/dbraw/zinc/32/14/39/884321439.db2.gz PGLGPUMEGGDNTH-JTQLQIEISA-N 1 2 289.332 -2.048 20 0 CAADLO COCCOCC[N@H+]1CCO[C@@H](CNC(=O)C(N)=O)C1 ZINC001319319224 884321456 /nfs/dbraw/zinc/32/14/56/884321456.db2.gz PGLGPUMEGGDNTH-JTQLQIEISA-N 1 2 289.332 -2.048 20 0 CAADLO C=CC(=O)NCCC(=O)N[C@@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001319337757 884323470 /nfs/dbraw/zinc/32/34/70/884323470.db2.gz STLUOFFEHADNPA-SNVBAGLBSA-N 1 2 282.344 -1.255 20 0 CAADLO C=CC(=O)NCCC(=O)N[C@@H]1CCC[N@H+](CC(N)=O)C1 ZINC001319337757 884323486 /nfs/dbraw/zinc/32/34/86/884323486.db2.gz STLUOFFEHADNPA-SNVBAGLBSA-N 1 2 282.344 -1.255 20 0 CAADLO CCNC(=O)CC(=O)NC[C@@H]1C[N@H+](CCO)CCO1 ZINC001319306351 884324410 /nfs/dbraw/zinc/32/44/10/884324410.db2.gz UBCXHHXHZFKHJT-SNVBAGLBSA-N 1 2 273.333 -1.678 20 0 CAADLO CCNC(=O)CC(=O)NC[C@@H]1C[N@@H+](CCO)CCO1 ZINC001319306351 884324430 /nfs/dbraw/zinc/32/44/30/884324430.db2.gz UBCXHHXHZFKHJT-SNVBAGLBSA-N 1 2 273.333 -1.678 20 0 CAADLO C[C@H](C(=O)NC(N)=O)[N@@H+]1CC[C@@H](S(N)(=O)=O)C1 ZINC001319507168 884333532 /nfs/dbraw/zinc/33/35/32/884333532.db2.gz ZEANYMWZZHQDGJ-PHDIDXHHSA-N 1 2 264.307 -2.067 20 0 CAADLO C[C@H](C(=O)NC(N)=O)[N@H+]1CC[C@@H](S(N)(=O)=O)C1 ZINC001319507168 884333544 /nfs/dbraw/zinc/33/35/44/884333544.db2.gz ZEANYMWZZHQDGJ-PHDIDXHHSA-N 1 2 264.307 -2.067 20 0 CAADLO Cn1nc(C(=O)NCCC[N@@H+]2CCNC(=O)C2)ccc1=O ZINC001319586694 884343064 /nfs/dbraw/zinc/34/30/64/884343064.db2.gz FDGBBPGGGDSGBJ-UHFFFAOYSA-N 1 2 293.327 -1.668 20 0 CAADLO Cn1nc(C(=O)NCCC[N@H+]2CCNC(=O)C2)ccc1=O ZINC001319586694 884343080 /nfs/dbraw/zinc/34/30/80/884343080.db2.gz FDGBBPGGGDSGBJ-UHFFFAOYSA-N 1 2 293.327 -1.668 20 0 CAADLO Cn1cc(C(N)=O)c(NC(=O)[C@@H]2C[N@H+](C)CCO2)n1 ZINC001319771574 884352860 /nfs/dbraw/zinc/35/28/60/884352860.db2.gz ZGAKQTAWRFUIRW-QMMMGPOBSA-N 1 2 267.289 -1.212 20 0 CAADLO Cn1cc(C(N)=O)c(NC(=O)[C@@H]2C[N@@H+](C)CCO2)n1 ZINC001319771574 884352874 /nfs/dbraw/zinc/35/28/74/884352874.db2.gz ZGAKQTAWRFUIRW-QMMMGPOBSA-N 1 2 267.289 -1.212 20 0 CAADLO CN(CC[N@H+](C)CC(N)=O)C(=O)c1ccc(=O)[nH]n1 ZINC001319969686 884362289 /nfs/dbraw/zinc/36/22/89/884362289.db2.gz JITODBBUOCTFEK-UHFFFAOYSA-N 1 2 267.289 -1.329 20 0 CAADLO CN(CC[N@@H+](C)CC(N)=O)C(=O)c1ccc(=O)[nH]n1 ZINC001319969686 884362301 /nfs/dbraw/zinc/36/23/01/884362301.db2.gz JITODBBUOCTFEK-UHFFFAOYSA-N 1 2 267.289 -1.329 20 0 CAADLO O=C1CCCN1CC[N@@H+]1CCN2C(=O)NC(=O)[C@H]2C1 ZINC001320014436 884366676 /nfs/dbraw/zinc/36/66/76/884366676.db2.gz DBWKFPHLYKRFNL-SECBINFHSA-N 1 2 266.301 -1.155 20 0 CAADLO O=C1CCCN1CC[N@H+]1CCN2C(=O)NC(=O)[C@H]2C1 ZINC001320014436 884366689 /nfs/dbraw/zinc/36/66/89/884366689.db2.gz DBWKFPHLYKRFNL-SECBINFHSA-N 1 2 266.301 -1.155 20 0 CAADLO C[C@@H](CC(N)=O)C(=O)N(C)CC[N@H+](C)CC(N)=O ZINC001320034652 884372124 /nfs/dbraw/zinc/37/21/24/884372124.db2.gz UDKMMNNEWNXCGA-QMMMGPOBSA-N 1 2 258.322 -1.627 20 0 CAADLO C[C@@H](CC(N)=O)C(=O)N(C)CC[N@@H+](C)CC(N)=O ZINC001320034652 884372135 /nfs/dbraw/zinc/37/21/35/884372135.db2.gz UDKMMNNEWNXCGA-QMMMGPOBSA-N 1 2 258.322 -1.627 20 0 CAADLO Cc1n[nH]c(C(=O)NC[C@@H](O)C[NH2+]CC(N)=O)c1C ZINC001320204011 884384964 /nfs/dbraw/zinc/38/49/64/884384964.db2.gz VTKHERWBUKFSGI-QMMMGPOBSA-N 1 2 269.305 -1.808 20 0 CAADLO C[C@H]([NH2+]C[C@@H](O)CNC(=O)CC(N)=O)c1csnn1 ZINC001320204291 884384639 /nfs/dbraw/zinc/38/46/39/884384639.db2.gz XJJSAQZZVIVWGI-NKWVEPMBSA-N 1 2 287.345 -1.459 20 0 CAADLO Cc1n[nH]c(C(=O)NC[C@H](O)C[NH2+]CC(N)=O)c1C ZINC001320204010 884386593 /nfs/dbraw/zinc/38/65/93/884386593.db2.gz VTKHERWBUKFSGI-MRVPVSSYSA-N 1 2 269.305 -1.808 20 0 CAADLO C[C@@H](C(=O)NCCN1CCNC(=O)C1)n1cc[nH+]c1 ZINC001320212085 884391052 /nfs/dbraw/zinc/39/10/52/884391052.db2.gz ZBOLDUZSDBSMNI-JTQLQIEISA-N 1 2 265.317 -1.008 20 0 CAADLO C[C@H](C(=O)NCCN1CCNC(=O)C1)n1cc[nH+]c1 ZINC001320212086 884392721 /nfs/dbraw/zinc/39/27/21/884392721.db2.gz ZBOLDUZSDBSMNI-SNVBAGLBSA-N 1 2 265.317 -1.008 20 0 CAADLO Cn1c[nH+]cc1CC(=O)NCCNS(C)(=O)=O ZINC001320798846 884449024 /nfs/dbraw/zinc/44/90/24/884449024.db2.gz IMRKOXFILOFHDU-UHFFFAOYSA-N 1 2 260.319 -1.372 20 0 CAADLO CNC(=O)[C@H]1C[N@H+](CCN2C(=O)CNC2=O)CCO1 ZINC001320255599 884402369 /nfs/dbraw/zinc/40/23/69/884402369.db2.gz YSNMNBNQHBBZMC-MRVPVSSYSA-N 1 2 270.289 -2.015 20 0 CAADLO CNC(=O)[C@H]1C[N@@H+](CCN2C(=O)CNC2=O)CCO1 ZINC001320255599 884402379 /nfs/dbraw/zinc/40/23/79/884402379.db2.gz YSNMNBNQHBBZMC-MRVPVSSYSA-N 1 2 270.289 -2.015 20 0 CAADLO Cc1noc(C[NH2+]C[C@H](O)CNC(=O)[C@H]2CCNC2=O)n1 ZINC001320256779 884403579 /nfs/dbraw/zinc/40/35/79/884403579.db2.gz JNZXPDRKTHFQIW-IUCAKERBSA-N 1 2 297.315 -1.919 20 0 CAADLO C[C@@H]1C[N@H+](CCNC(=O)C[C@@H]2NC(=O)NC2=O)CCO1 ZINC001320359748 884417393 /nfs/dbraw/zinc/41/73/93/884417393.db2.gz LVGLSSBXVNZPNZ-BDAKNGLRSA-N 1 2 284.316 -1.579 20 0 CAADLO O=C1NC[C@H]2C[N@@H+]([C@@H]3CCC(=O)NC3=O)CCN12 ZINC001320389862 884421202 /nfs/dbraw/zinc/42/12/02/884421202.db2.gz OJAZDZXSPDYSAN-JGVFFNPUSA-N 1 2 252.274 -1.499 20 0 CAADLO O=C1NC[C@H]2C[N@H+]([C@@H]3CCC(=O)NC3=O)CCN12 ZINC001320389862 884421206 /nfs/dbraw/zinc/42/12/06/884421206.db2.gz OJAZDZXSPDYSAN-JGVFFNPUSA-N 1 2 252.274 -1.499 20 0 CAADLO Cn1c[nH+]cc1CCNC(=O)CN1C(=O)CN(C)C1=O ZINC001320513234 884425760 /nfs/dbraw/zinc/42/57/60/884425760.db2.gz MRDZDGVYJPVTCJ-UHFFFAOYSA-N 1 2 279.300 -1.027 20 0 CAADLO C[C@H](CC[NH2+]Cc1nc(=O)n(C)[nH]1)NC(=O)c1nnc[nH]1 ZINC001320581305 884433407 /nfs/dbraw/zinc/43/34/07/884433407.db2.gz IOLPNMXOBFNXOZ-SSDOTTSWSA-N 1 2 294.319 -1.475 20 0 CAADLO C[C@H](CC[NH2+]Cc1nc(=O)n(C)[nH]1)NC(=O)c1ncn[nH]1 ZINC001320581305 884433413 /nfs/dbraw/zinc/43/34/13/884433413.db2.gz IOLPNMXOBFNXOZ-SSDOTTSWSA-N 1 2 294.319 -1.475 20 0 CAADLO C[C@H](CC[NH2+]Cc1nc(=O)n(C)[nH]1)NC(=O)c1nc[nH]n1 ZINC001320581305 884433421 /nfs/dbraw/zinc/43/34/21/884433421.db2.gz IOLPNMXOBFNXOZ-SSDOTTSWSA-N 1 2 294.319 -1.475 20 0 CAADLO O=C1CNC(=O)N1CCC[N@@H+]1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC001320720142 884443180 /nfs/dbraw/zinc/44/31/80/884443180.db2.gz ADEFTEOPUCQZHF-QMMMGPOBSA-N 1 2 295.299 -1.836 20 0 CAADLO O=C1CNC(=O)N1CCC[N@H+]1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC001320720142 884443182 /nfs/dbraw/zinc/44/31/82/884443182.db2.gz ADEFTEOPUCQZHF-QMMMGPOBSA-N 1 2 295.299 -1.836 20 0 CAADLO O=C1O[C@@H](C[N@@H+]2CCN3C(=O)C(=O)NC[C@H]3C2)CC12CC2 ZINC001320772977 884446265 /nfs/dbraw/zinc/44/62/65/884446265.db2.gz MMAJHCOSSUHLBK-VHSXEESVSA-N 1 2 293.323 -1.275 20 0 CAADLO O=C1O[C@@H](C[N@H+]2CCN3C(=O)C(=O)NC[C@H]3C2)CC12CC2 ZINC001320772977 884446276 /nfs/dbraw/zinc/44/62/76/884446276.db2.gz MMAJHCOSSUHLBK-VHSXEESVSA-N 1 2 293.323 -1.275 20 0 CAADLO CNC(=O)[C@@H](CO)Nc1[nH+]cnc2c1cnn2C ZINC001320783522 884447962 /nfs/dbraw/zinc/44/79/62/884447962.db2.gz OXDVXRHZCYTGRP-SSDOTTSWSA-N 1 2 250.262 -1.118 20 0 CAADLO Cn1ncc(C[NH2+]C/C=C/CNC(=O)[C@H]2COCCO2)n1 ZINC001320980718 884459755 /nfs/dbraw/zinc/45/97/55/884459755.db2.gz VMGVXUIXAPYWLB-QAVQXKDTSA-N 1 2 295.343 -1.008 20 0 CAADLO CNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@]2(C1)NC(=O)NC2=O ZINC001320994575 884462312 /nfs/dbraw/zinc/46/23/12/884462312.db2.gz RJJUZDFKZHEDBQ-JMCQJSRRSA-N 1 2 297.315 -1.496 20 0 CAADLO CNC(=O)NC(=O)[C@@H](C)[N@H+]1CCC[C@]2(C1)NC(=O)NC2=O ZINC001320994575 884462317 /nfs/dbraw/zinc/46/23/17/884462317.db2.gz RJJUZDFKZHEDBQ-JMCQJSRRSA-N 1 2 297.315 -1.496 20 0 CAADLO Cn1nnnc1C[NH2+]CC=CCNC(=O)c1cn[nH]n1 ZINC001321135183 884472127 /nfs/dbraw/zinc/47/21/27/884472127.db2.gz JGNCUSXJMKJPRX-NSCUHMNNSA-N 1 2 277.292 -1.596 20 0 CAADLO Cn1nnc(C(=O)NC/C=C\C[NH2+]Cc2ncnn2C)n1 ZINC001321199957 884478686 /nfs/dbraw/zinc/47/86/86/884478686.db2.gz KVUCNJBDECAUFN-ARJAWSKDSA-N 1 2 291.319 -1.586 20 0 CAADLO O=C(NCC=CC[NH2+]Cc1csnn1)[C@@H]1CNC(=O)N1 ZINC001321224398 884479993 /nfs/dbraw/zinc/47/99/93/884479993.db2.gz ZKPMIQAKSOKDNN-VWCDRPFISA-N 1 2 296.356 -1.019 20 0 CAADLO O=C(NCC=CC[NH2+]Cc1cnon1)[C@@H]1CNC(=O)N1 ZINC001321219684 884480228 /nfs/dbraw/zinc/48/02/28/884480228.db2.gz HIQXNBPXNPKUMY-IYABHPQVSA-N 1 2 280.288 -1.487 20 0 CAADLO NC(=O)C(=O)NC/C=C\C[NH2+]Cc1ncnn1CCF ZINC001321221493 884480466 /nfs/dbraw/zinc/48/04/66/884480466.db2.gz HCBCDOLQBCGIFH-UPHRSURJSA-N 1 2 284.295 -1.505 20 0 CAADLO O=C(NCC=CC[NH2+]Cc1cnon1)[C@H]1CNC(=O)N1 ZINC001321219683 884480609 /nfs/dbraw/zinc/48/06/09/884480609.db2.gz HIQXNBPXNPKUMY-GPYPMJJRSA-N 1 2 280.288 -1.487 20 0 CAADLO NS(=O)(=O)[C@H]1CCC[N@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001321339151 884487492 /nfs/dbraw/zinc/48/74/92/884487492.db2.gz JXEJFILDLAMJGI-YUMQZZPRSA-N 1 2 275.330 -1.456 20 0 CAADLO NS(=O)(=O)[C@H]1CCC[N@@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001321339151 884487490 /nfs/dbraw/zinc/48/74/90/884487490.db2.gz JXEJFILDLAMJGI-YUMQZZPRSA-N 1 2 275.330 -1.456 20 0 CAADLO Cn1nnc(CNC/C=C\CNC(=O)Cc2[nH]cc[nH+]2)n1 ZINC001321306153 884487589 /nfs/dbraw/zinc/48/75/89/884487589.db2.gz GHIMNEDGEUJYCC-IHWYPQMZSA-N 1 2 290.331 -1.062 20 0 CAADLO NS(=O)(=O)[C@@H]1CCC[N@@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001321339143 884487663 /nfs/dbraw/zinc/48/76/63/884487663.db2.gz JXEJFILDLAMJGI-HTQZYQBOSA-N 1 2 275.330 -1.456 20 0 CAADLO NS(=O)(=O)[C@@H]1CCC[N@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001321339143 884487668 /nfs/dbraw/zinc/48/76/68/884487668.db2.gz JXEJFILDLAMJGI-HTQZYQBOSA-N 1 2 275.330 -1.456 20 0 CAADLO CS(=O)(=O)[C@H]1CC[N@@H+](CCN2C(=O)CNC2=O)C1 ZINC001321370421 884489209 /nfs/dbraw/zinc/48/92/09/884489209.db2.gz FQARSBUOZOBJIB-QMMMGPOBSA-N 1 2 275.330 -1.343 20 0 CAADLO CS(=O)(=O)[C@H]1CC[N@H+](CCN2C(=O)CNC2=O)C1 ZINC001321370421 884489204 /nfs/dbraw/zinc/48/92/04/884489204.db2.gz FQARSBUOZOBJIB-QMMMGPOBSA-N 1 2 275.330 -1.343 20 0 CAADLO C[C@@H](CO)N(C)C(=O)C(=O)NCCn1cc[nH+]c1 ZINC001321402500 884492013 /nfs/dbraw/zinc/49/20/13/884492013.db2.gz HHJWMLQZOZRGGO-VIFPVBQESA-N 1 2 254.290 -1.162 20 0 CAADLO CN(C(=O)C(=O)NCCn1cc[nH+]c1)C1CC(O)C1 ZINC001321402214 884493333 /nfs/dbraw/zinc/49/33/33/884493333.db2.gz CZHGRYLSEOJTBY-UHFFFAOYSA-N 1 2 266.301 -1.019 20 0 CAADLO Cc1[nH+]c[nH]c1CC(=O)N1CCO[C@@H](C(N)=O)C1 ZINC001321461547 884495694 /nfs/dbraw/zinc/49/56/94/884495694.db2.gz MBMCMARZONGOEI-SECBINFHSA-N 1 2 252.274 -1.027 20 0 CAADLO Cc1[nH+]c[nH]c1CC(=O)N1CCO[C@H](C(N)=O)C1 ZINC001321461548 884496212 /nfs/dbraw/zinc/49/62/12/884496212.db2.gz MBMCMARZONGOEI-VIFPVBQESA-N 1 2 252.274 -1.027 20 0 CAADLO C[C@H](O)CN(C)C(=O)C(=O)NCCn1cc[nH+]c1 ZINC001321581269 884502520 /nfs/dbraw/zinc/50/25/20/884502520.db2.gz CJPPWZJOHUREDL-VIFPVBQESA-N 1 2 254.290 -1.162 20 0 CAADLO CN1CC[C@@H](NC(=O)C(=O)NCCn2cc[nH+]c2)C1=O ZINC001321582878 884502767 /nfs/dbraw/zinc/50/27/67/884502767.db2.gz SBBGESXKDVJHRP-SECBINFHSA-N 1 2 279.300 -1.654 20 0 CAADLO C[C@@H](C[S@@](C)=O)NC(=O)C(=O)NCCn1cc[nH+]c1 ZINC001321581572 884503709 /nfs/dbraw/zinc/50/37/09/884503709.db2.gz HIOARPDIIKWHGY-ZRNGKTOUSA-N 1 2 286.357 -1.118 20 0 CAADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)NCC(=O)N(C)C ZINC001321592968 884503683 /nfs/dbraw/zinc/50/36/83/884503683.db2.gz TXOIYHRPHYTHAL-VIFPVBQESA-N 1 2 281.316 -1.408 20 0 CAADLO C[C@H](C[NH2+]Cc1cc(=O)n2[nH]ccc2n1)NC(=O)C(N)=O ZINC001321640986 884506555 /nfs/dbraw/zinc/50/65/55/884506555.db2.gz LKWJQVYWXVIVLA-SSDOTTSWSA-N 1 2 292.299 -1.898 20 0 CAADLO C[C@H](C[NH2+]Cc1nncn1C)NC(=O)c1nnc[nH]1 ZINC001321681131 884508848 /nfs/dbraw/zinc/50/88/48/884508848.db2.gz RKKHEESZJVLCIX-SSDOTTSWSA-N 1 2 264.293 -1.159 20 0 CAADLO C[C@H](C[NH2+]Cc1nncn1C)NC(=O)c1ncn[nH]1 ZINC001321681131 884508851 /nfs/dbraw/zinc/50/88/51/884508851.db2.gz RKKHEESZJVLCIX-SSDOTTSWSA-N 1 2 264.293 -1.159 20 0 CAADLO C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)N(C)[C@H]1CCNC1=O ZINC001321689673 884509117 /nfs/dbraw/zinc/50/91/17/884509117.db2.gz PGYDDKSCIJYIIQ-ZJUUUORDSA-N 1 2 293.327 -1.265 20 0 CAADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)N(C)[C@@H]1CCNC1=O ZINC001321689671 884510044 /nfs/dbraw/zinc/51/00/44/884510044.db2.gz PGYDDKSCIJYIIQ-VHSXEESVSA-N 1 2 293.327 -1.265 20 0 CAADLO NS(=O)(=O)CCNC(=O)NCCCn1cc[nH+]c1 ZINC001321691925 884512359 /nfs/dbraw/zinc/51/23/59/884512359.db2.gz SCGQSFGUJUNRGC-UHFFFAOYSA-N 1 2 275.334 -1.139 20 0 CAADLO C[C@@H](C[N@H+](C)[C@H]1CCNC1=O)NC(=O)c1cn[nH]n1 ZINC001322192245 884541646 /nfs/dbraw/zinc/54/16/46/884541646.db2.gz GGTUVEVCRBDLTR-CBAPKCEASA-N 1 2 266.305 -1.257 20 0 CAADLO C[C@@H](C[N@@H+](C)[C@H]1CCNC1=O)NC(=O)c1cn[nH]n1 ZINC001322192245 884541654 /nfs/dbraw/zinc/54/16/54/884541654.db2.gz GGTUVEVCRBDLTR-CBAPKCEASA-N 1 2 266.305 -1.257 20 0 CAADLO C[C@@H](C[N@H+](C)[C@H]1CCNC1=O)NC(=O)c1cnn[nH]1 ZINC001322192245 884541665 /nfs/dbraw/zinc/54/16/65/884541665.db2.gz GGTUVEVCRBDLTR-CBAPKCEASA-N 1 2 266.305 -1.257 20 0 CAADLO C[C@@H](C[N@@H+](C)[C@H]1CCNC1=O)NC(=O)c1cnn[nH]1 ZINC001322192245 884541673 /nfs/dbraw/zinc/54/16/73/884541673.db2.gz GGTUVEVCRBDLTR-CBAPKCEASA-N 1 2 266.305 -1.257 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+](C)C[C@H](C)NC(=O)c1cn[nH]n1 ZINC001322191093 884542625 /nfs/dbraw/zinc/54/26/25/884542625.db2.gz AAFFLJOLEOJWMC-JGVFFNPUSA-N 1 2 268.321 -1.011 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+](C)C[C@H](C)NC(=O)c1cn[nH]n1 ZINC001322191093 884542637 /nfs/dbraw/zinc/54/26/37/884542637.db2.gz AAFFLJOLEOJWMC-JGVFFNPUSA-N 1 2 268.321 -1.011 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+](C)C[C@H](C)NC(=O)c1cnn[nH]1 ZINC001322191093 884542652 /nfs/dbraw/zinc/54/26/52/884542652.db2.gz AAFFLJOLEOJWMC-JGVFFNPUSA-N 1 2 268.321 -1.011 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+](C)C[C@H](C)NC(=O)c1cnn[nH]1 ZINC001322191093 884542667 /nfs/dbraw/zinc/54/26/67/884542667.db2.gz AAFFLJOLEOJWMC-JGVFFNPUSA-N 1 2 268.321 -1.011 20 0 CAADLO COCCS(=O)(=O)CCC[N@H+]1C[C@@H](O)[C@@H](O)C1 ZINC001322786234 884577574 /nfs/dbraw/zinc/57/75/74/884577574.db2.gz LMZXOXQXGWPFAS-AOOOYVTPSA-N 1 2 267.347 -1.525 20 0 CAADLO COCCS(=O)(=O)CCC[N@@H+]1C[C@@H](O)[C@@H](O)C1 ZINC001322786234 884577585 /nfs/dbraw/zinc/57/75/85/884577585.db2.gz LMZXOXQXGWPFAS-AOOOYVTPSA-N 1 2 267.347 -1.525 20 0 CAADLO C[C@@H](C[N@H+](C)CC(=O)N(C)CC1CC1)NC(=O)C(N)=O ZINC001322236759 884546902 /nfs/dbraw/zinc/54/69/02/884546902.db2.gz MMFVMFBRGMJUSD-VIFPVBQESA-N 1 2 284.360 -1.223 20 0 CAADLO C[C@@H](C[N@@H+](C)CC(=O)N(C)CC1CC1)NC(=O)C(N)=O ZINC001322236759 884546917 /nfs/dbraw/zinc/54/69/17/884546917.db2.gz MMFVMFBRGMJUSD-VIFPVBQESA-N 1 2 284.360 -1.223 20 0 CAADLO Cc1cc(NC(=O)C(=O)N[C@H](C)C[N@H+](C)CC(N)=O)no1 ZINC001322300046 884547682 /nfs/dbraw/zinc/54/76/82/884547682.db2.gz YZJXABXEGLMNPL-SSDOTTSWSA-N 1 2 297.315 -1.157 20 0 CAADLO Cc1cc(NC(=O)C(=O)N[C@H](C)C[N@@H+](C)CC(N)=O)no1 ZINC001322300046 884547691 /nfs/dbraw/zinc/54/76/91/884547691.db2.gz YZJXABXEGLMNPL-SSDOTTSWSA-N 1 2 297.315 -1.157 20 0 CAADLO COCCS(=O)(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC001322713934 884575066 /nfs/dbraw/zinc/57/50/66/884575066.db2.gz MINATJMSHCKDDZ-JTQLQIEISA-N 1 2 265.379 -1.202 20 0 CAADLO COCCS(=O)(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC001322713934 884575084 /nfs/dbraw/zinc/57/50/84/884575084.db2.gz MINATJMSHCKDDZ-JTQLQIEISA-N 1 2 265.379 -1.202 20 0 CAADLO C[C@@H](C(=O)N1CC[C@@H](C(N)=O)C1)[NH+]1CCN(C)CC1 ZINC001322771575 884576945 /nfs/dbraw/zinc/57/69/45/884576945.db2.gz VDGRMKRFHKBAJF-WDEREUQCSA-N 1 2 268.361 -1.044 20 0 CAADLO O=c1cc(C[NH+](CCO)CCO)nc2cc[nH]n21 ZINC001322784022 884578733 /nfs/dbraw/zinc/57/87/33/884578733.db2.gz IRTIBLKJGISOCY-UHFFFAOYSA-N 1 2 252.274 -1.191 20 0 CAADLO CNC(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC001322801213 884578079 /nfs/dbraw/zinc/57/80/79/884578079.db2.gz LIDMCOWWLNSVCX-UHFFFAOYSA-N 1 2 281.316 -1.100 20 0 CAADLO C[C@@H](C(=O)N1CC[C@H](C(N)=O)C1)[NH+]1CCN(C)CC1 ZINC001322771574 884578152 /nfs/dbraw/zinc/57/81/52/884578152.db2.gz VDGRMKRFHKBAJF-QWRGUYRKSA-N 1 2 268.361 -1.044 20 0 CAADLO NC(=O)CC(=O)NC[C@@H]1CC[N@@H+]1CC(=O)N1CCOCC1 ZINC001323209610 884599140 /nfs/dbraw/zinc/59/91/40/884599140.db2.gz GKWQTAXRXVUFOJ-JTQLQIEISA-N 1 2 298.343 -2.089 20 0 CAADLO NC(=O)CC(=O)NC[C@@H]1CC[N@H+]1CC(=O)N1CCOCC1 ZINC001323209610 884599155 /nfs/dbraw/zinc/59/91/55/884599155.db2.gz GKWQTAXRXVUFOJ-JTQLQIEISA-N 1 2 298.343 -2.089 20 0 CAADLO CN1CC[C@H]([N@@H+]2CC[C@H]2CNC(=O)CC(N)=O)C1=O ZINC001323208944 884599372 /nfs/dbraw/zinc/59/93/72/884599372.db2.gz DMLPFOJXOJBXRW-IUCAKERBSA-N 1 2 268.317 -1.717 20 0 CAADLO CN1CC[C@H]([N@H+]2CC[C@H]2CNC(=O)CC(N)=O)C1=O ZINC001323208944 884599384 /nfs/dbraw/zinc/59/93/84/884599384.db2.gz DMLPFOJXOJBXRW-IUCAKERBSA-N 1 2 268.317 -1.717 20 0 CAADLO C[C@H](C(=O)N(C)CCC(N)=O)[NH+]1CCN(C)CC1 ZINC001323206339 884600980 /nfs/dbraw/zinc/60/09/80/884600980.db2.gz OSQRVNBZBNXBRD-SNVBAGLBSA-N 1 2 256.350 -1.044 20 0 CAADLO CN1C[C@H](NC(=O)C(=O)N2CC[NH+](C3CC3)CC2)CC1=O ZINC001323296386 884609791 /nfs/dbraw/zinc/60/97/91/884609791.db2.gz SDVPOFFXBDXXJD-SNVBAGLBSA-N 1 2 294.355 -1.360 20 0 CAADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)N[C@@H]1CC(=O)N(C)C1 ZINC001323298844 884610493 /nfs/dbraw/zinc/61/04/93/884610493.db2.gz QNVUFZYDXDOGCA-VHSXEESVSA-N 1 2 293.327 -1.265 20 0 CAADLO CN1CC[C@H]([N@@H+]2CC[C@@H]2CNC(=O)C2(C(N)=O)CC2)C1=O ZINC001323293056 884610538 /nfs/dbraw/zinc/61/05/38/884610538.db2.gz JZEDGHDUQCSTOS-ZJUUUORDSA-N 1 2 294.355 -1.327 20 0 CAADLO CN1CC[C@H]([N@H+]2CC[C@@H]2CNC(=O)C2(C(N)=O)CC2)C1=O ZINC001323293056 884610542 /nfs/dbraw/zinc/61/05/42/884610542.db2.gz JZEDGHDUQCSTOS-ZJUUUORDSA-N 1 2 294.355 -1.327 20 0 CAADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)N1CCNC(=O)CC1 ZINC001323297318 884611517 /nfs/dbraw/zinc/61/15/17/884611517.db2.gz BTYMKJHTVQRFAH-JTQLQIEISA-N 1 2 293.327 -1.264 20 0 CAADLO CNC(=O)[C@@H]1C[N@H+](CCN2CCOCC2)CCO1 ZINC001323656061 884628351 /nfs/dbraw/zinc/62/83/51/884628351.db2.gz MYGCCWDKKFSHCW-NSHDSACASA-N 1 2 257.334 -1.235 20 0 CAADLO CNC(=O)[C@@H]1C[N@@H+](CCN2CCOCC2)CCO1 ZINC001323656061 884628357 /nfs/dbraw/zinc/62/83/57/884628357.db2.gz MYGCCWDKKFSHCW-NSHDSACASA-N 1 2 257.334 -1.235 20 0 CAADLO CNC(=O)[C@@H]1CN(CC[NH+]2CCOCC2)CCO1 ZINC001323656061 884628361 /nfs/dbraw/zinc/62/83/61/884628361.db2.gz MYGCCWDKKFSHCW-NSHDSACASA-N 1 2 257.334 -1.235 20 0 CAADLO Cn1c[nH+]cc1CC(=O)N[C@@H]1CCC(=O)NC1=O ZINC001323721754 884630628 /nfs/dbraw/zinc/63/06/28/884630628.db2.gz ADFIWOVQYXGEGI-MRVPVSSYSA-N 1 2 250.258 -1.116 20 0 CAADLO COCCOCC[NH+]1CC(N(C)C(=O)Cn2ncnn2)C1 ZINC001323920401 884641039 /nfs/dbraw/zinc/64/10/39/884641039.db2.gz DAHWXZMOCSSFFP-UHFFFAOYSA-N 1 2 298.347 -1.521 20 0 CAADLO COCC[NH+]1CC(N(C)C(=O)CC[C@@H]2NC(=O)NC2=O)C1 ZINC001324017804 884646764 /nfs/dbraw/zinc/64/67/64/884646764.db2.gz NWASFBUTOPEMNB-JTQLQIEISA-N 1 2 298.343 -1.236 20 0 CAADLO O=C1NC[C@@H]2CN(CC[NH+]3CCOCC3)CCN2C1=O ZINC001324007340 884647161 /nfs/dbraw/zinc/64/71/61/884647161.db2.gz IYWBDTUILIHLLK-LLVKDONJSA-N 1 2 282.344 -2.039 20 0 CAADLO O=C1NC[C@@H]2C[N@H+](CCN3CCOCC3)CCN2C1=O ZINC001324007340 884647168 /nfs/dbraw/zinc/64/71/68/884647168.db2.gz IYWBDTUILIHLLK-LLVKDONJSA-N 1 2 282.344 -2.039 20 0 CAADLO O=C1NC[C@@H]2C[N@@H+](CCN3CCOCC3)CCN2C1=O ZINC001324007340 884647172 /nfs/dbraw/zinc/64/71/72/884647172.db2.gz IYWBDTUILIHLLK-LLVKDONJSA-N 1 2 282.344 -2.039 20 0 CAADLO CN(C(=O)CCc1cn(C)nn1)C1C[NH+](CCO)C1 ZINC001324029743 884647466 /nfs/dbraw/zinc/64/74/66/884647466.db2.gz SXQHVCLQYCLOOD-UHFFFAOYSA-N 1 2 267.333 -1.117 20 0 CAADLO CNC(=O)NC(=O)C[N@@H+]1CCc2n[nH]c(=O)cc2C1 ZINC001324153358 884650722 /nfs/dbraw/zinc/65/07/22/884650722.db2.gz JFEAAKPHNOFSRP-UHFFFAOYSA-N 1 2 265.273 -1.004 20 0 CAADLO CNC(=O)NC(=O)C[N@H+]1CCc2n[nH]c(=O)cc2C1 ZINC001324153358 884650730 /nfs/dbraw/zinc/65/07/30/884650730.db2.gz JFEAAKPHNOFSRP-UHFFFAOYSA-N 1 2 265.273 -1.004 20 0 CAADLO C[C@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2cncnc2)CC1 ZINC001324223312 884658352 /nfs/dbraw/zinc/65/83/52/884658352.db2.gz DNZAWVNOJAGREM-JTQLQIEISA-N 1 2 293.327 -1.060 20 0 CAADLO CCS(=O)(=O)NCCC[NH+]1CCN(CC(N)=O)CC1 ZINC001324382627 884668086 /nfs/dbraw/zinc/66/80/86/884668086.db2.gz KHBYWCYZULIJMD-UHFFFAOYSA-N 1 2 292.405 -1.581 20 0 CAADLO Cn1[nH]c([C@H]2CCC[N@@H+]2CCN2C(=O)CNC2=O)nc1=N ZINC001324445411 884671058 /nfs/dbraw/zinc/67/10/58/884671058.db2.gz YKHASUBFPFTEHN-MRVPVSSYSA-N 1 2 293.331 -1.084 20 0 CAADLO Cn1[nH]c([C@H]2CCC[N@H+]2CCN2C(=O)CNC2=O)nc1=N ZINC001324445411 884671060 /nfs/dbraw/zinc/67/10/60/884671060.db2.gz YKHASUBFPFTEHN-MRVPVSSYSA-N 1 2 293.331 -1.084 20 0 CAADLO CNS(=O)(=O)C1CC[NH+]([C@H]2CCNC2=O)CC1 ZINC001324459285 884671160 /nfs/dbraw/zinc/67/11/60/884671160.db2.gz HBZBZHJJBQGRBL-VIFPVBQESA-N 1 2 261.347 -1.112 20 0 CAADLO Cn1c(C[N@H+](C)[C@@H]2CCNC2=O)cc(=O)n(C)c1=O ZINC001324480934 884673903 /nfs/dbraw/zinc/67/39/03/884673903.db2.gz YBLDBQAVRXKDGA-SECBINFHSA-N 1 2 266.301 -1.596 20 0 CAADLO Cn1c(C[N@@H+](C)[C@@H]2CCNC2=O)cc(=O)n(C)c1=O ZINC001324480934 884673918 /nfs/dbraw/zinc/67/39/18/884673918.db2.gz YBLDBQAVRXKDGA-SECBINFHSA-N 1 2 266.301 -1.596 20 0 CAADLO C[C@H](C(N)=O)N1CC[N@@H+]([C@@H](C)C(N)=O)C[C@@H](O)C1 ZINC001324467116 884675886 /nfs/dbraw/zinc/67/58/86/884675886.db2.gz OTGWAOXYIQCTCV-BRPSZJMVSA-N 1 2 258.322 -2.288 20 0 CAADLO C[C@H](C(N)=O)N1CC[N@H+]([C@@H](C)C(N)=O)C[C@@H](O)C1 ZINC001324467116 884675891 /nfs/dbraw/zinc/67/58/91/884675891.db2.gz OTGWAOXYIQCTCV-BRPSZJMVSA-N 1 2 258.322 -2.288 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CCN([C@@H](C)C(N)=O)C[C@@H](O)C1 ZINC001324467116 884675902 /nfs/dbraw/zinc/67/59/02/884675902.db2.gz OTGWAOXYIQCTCV-BRPSZJMVSA-N 1 2 258.322 -2.288 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CCN([C@@H](C)C(N)=O)C[C@@H](O)C1 ZINC001324467116 884675910 /nfs/dbraw/zinc/67/59/10/884675910.db2.gz OTGWAOXYIQCTCV-BRPSZJMVSA-N 1 2 258.322 -2.288 20 0 CAADLO CCOCCNC(=O)C[NH+]1CCC(S(N)(=O)=O)CC1 ZINC001324516671 884677740 /nfs/dbraw/zinc/67/77/40/884677740.db2.gz USCWCZUJYMSNCG-UHFFFAOYSA-N 1 2 293.389 -1.108 20 0 CAADLO O=C(NCc1n[nH]c(=O)[nH]1)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC001324604571 884681404 /nfs/dbraw/zinc/68/14/04/884681404.db2.gz LGBLCFQADQKEER-QMMMGPOBSA-N 1 2 266.305 -1.484 20 0 CAADLO O=C(NCc1n[nH]c(=O)[nH]1)[C@@H]1C[N@H+]2CCN1CCC2 ZINC001324604571 884681411 /nfs/dbraw/zinc/68/14/11/884681411.db2.gz LGBLCFQADQKEER-QMMMGPOBSA-N 1 2 266.305 -1.484 20 0 CAADLO C[C@]1(NC(=O)C(=O)NCC(F)F)CC[N@H+](CC(N)=O)C1 ZINC001324628582 884682128 /nfs/dbraw/zinc/68/21/28/884682128.db2.gz MQSOLYDSNBHDRF-NSHDSACASA-N 1 2 292.286 -1.566 20 0 CAADLO C[C@]1(NC(=O)C(=O)NCC(F)F)CC[N@@H+](CC(N)=O)C1 ZINC001324628582 884682135 /nfs/dbraw/zinc/68/21/35/884682135.db2.gz MQSOLYDSNBHDRF-NSHDSACASA-N 1 2 292.286 -1.566 20 0 CAADLO C[C@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2ncn(C)n2)CC1 ZINC001324964207 884697416 /nfs/dbraw/zinc/69/74/16/884697416.db2.gz FRYRUAYPOFJYBZ-VIFPVBQESA-N 1 2 296.331 -1.721 20 0 CAADLO Cn1ccnc1C[N@@H+]1CC[C@](O)(CNC(=O)CC(N)=O)C1 ZINC001325088132 884704110 /nfs/dbraw/zinc/70/41/10/884704110.db2.gz ZZBDPXGTYUSTQF-ZDUSSCGKSA-N 1 2 295.343 -1.652 20 0 CAADLO Cn1ccnc1C[N@H+]1CC[C@](O)(CNC(=O)CC(N)=O)C1 ZINC001325088132 884704121 /nfs/dbraw/zinc/70/41/21/884704121.db2.gz ZZBDPXGTYUSTQF-ZDUSSCGKSA-N 1 2 295.343 -1.652 20 0 CAADLO Cc1nonc1C[N@@H+]1CC[C@](O)(CNC(=O)CC(N)=O)C1 ZINC001325087171 884704319 /nfs/dbraw/zinc/70/43/19/884704319.db2.gz UCCGKQHCFHGQFS-LBPRGKRZSA-N 1 2 297.315 -1.694 20 0 CAADLO Cc1nonc1C[N@H+]1CC[C@](O)(CNC(=O)CC(N)=O)C1 ZINC001325087171 884704327 /nfs/dbraw/zinc/70/43/27/884704327.db2.gz UCCGKQHCFHGQFS-LBPRGKRZSA-N 1 2 297.315 -1.694 20 0 CAADLO Cn1ccnc1C[N@@H+]1CC[C@@](O)(CNC(=O)CC(N)=O)C1 ZINC001325088131 884704982 /nfs/dbraw/zinc/70/49/82/884704982.db2.gz ZZBDPXGTYUSTQF-CYBMUJFWSA-N 1 2 295.343 -1.652 20 0 CAADLO Cn1ccnc1C[N@H+]1CC[C@@](O)(CNC(=O)CC(N)=O)C1 ZINC001325088131 884704987 /nfs/dbraw/zinc/70/49/87/884704987.db2.gz ZZBDPXGTYUSTQF-CYBMUJFWSA-N 1 2 295.343 -1.652 20 0 CAADLO Cc1nc(C[N@@H+]2CC[C@@](O)(CNC(=O)C(N)=O)C2)cs1 ZINC001325125331 884708767 /nfs/dbraw/zinc/70/87/67/884708767.db2.gz CWYRJSQAACLGPH-GFCCVEGCSA-N 1 2 298.368 -1.010 20 0 CAADLO Cc1nc(C[N@H+]2CC[C@@](O)(CNC(=O)C(N)=O)C2)cs1 ZINC001325125331 884708776 /nfs/dbraw/zinc/70/87/76/884708776.db2.gz CWYRJSQAACLGPH-GFCCVEGCSA-N 1 2 298.368 -1.010 20 0 CAADLO Cc1ccnc(C[N@@H+]2CC[C@@](O)(CNC(=O)C(N)=O)C2)n1 ZINC001325126097 884709596 /nfs/dbraw/zinc/70/95/96/884709596.db2.gz LDUODAZXDQJDEA-CYBMUJFWSA-N 1 2 293.327 -1.677 20 0 CAADLO Cc1ccnc(C[N@H+]2CC[C@@](O)(CNC(=O)C(N)=O)C2)n1 ZINC001325126097 884709606 /nfs/dbraw/zinc/70/96/06/884709606.db2.gz LDUODAZXDQJDEA-CYBMUJFWSA-N 1 2 293.327 -1.677 20 0 CAADLO Cc1nnc([C@@H](C)[N@@H+]2CC[C@@](O)(CNC(=O)C(N)=O)C2)o1 ZINC001325126495 884711303 /nfs/dbraw/zinc/71/13/03/884711303.db2.gz PBKYQEDQQCPEAX-JMCQJSRRSA-N 1 2 297.315 -1.523 20 0 CAADLO Cc1nnc([C@@H](C)[N@H+]2CC[C@@](O)(CNC(=O)C(N)=O)C2)o1 ZINC001325126495 884711323 /nfs/dbraw/zinc/71/13/23/884711323.db2.gz PBKYQEDQQCPEAX-JMCQJSRRSA-N 1 2 297.315 -1.523 20 0 CAADLO NC(=O)C(=O)NC[C@@]1(O)CC[N@H+](Cc2ncccn2)C1 ZINC001325126834 884712083 /nfs/dbraw/zinc/71/20/83/884712083.db2.gz RQOCHLJGERWWCP-LBPRGKRZSA-N 1 2 279.300 -1.985 20 0 CAADLO NC(=O)C(=O)NC[C@@]1(O)CC[N@@H+](Cc2ncccn2)C1 ZINC001325126834 884712095 /nfs/dbraw/zinc/71/20/95/884712095.db2.gz RQOCHLJGERWWCP-LBPRGKRZSA-N 1 2 279.300 -1.985 20 0 CAADLO CCN(C(=O)C(=O)N1CC[NH+](CC)CC1)[C@H]1CCNC1=O ZINC001325195071 884718100 /nfs/dbraw/zinc/71/81/00/884718100.db2.gz WHQBGDRQGDYXEH-NSHDSACASA-N 1 2 296.371 -1.113 20 0 CAADLO CCN(C(=O)C(=O)N1CC[NH+](CC)CC1)[C@@H]1CCNC1=O ZINC001325195043 884718710 /nfs/dbraw/zinc/71/87/10/884718710.db2.gz WHQBGDRQGDYXEH-LLVKDONJSA-N 1 2 296.371 -1.113 20 0 CAADLO C[C@H](O)C[NH+]1CC(O)(CNC(=O)c2cncn2C)C1 ZINC001325236294 884722338 /nfs/dbraw/zinc/72/23/38/884722338.db2.gz LISKHDCYWVVLAF-VIFPVBQESA-N 1 2 268.317 -1.423 20 0 CAADLO O=C(NCC(F)F)C(=O)NCC1(O)C[NH+](CCCO)C1 ZINC001325231131 884722431 /nfs/dbraw/zinc/72/24/31/884722431.db2.gz CANNPOZFYZCDIX-UHFFFAOYSA-N 1 2 295.286 -2.087 20 0 CAADLO CC[NH+]1CC(O)(CNC(=O)[C@@H](C)N2C(=O)CCC2=O)C1 ZINC001325216765 884722626 /nfs/dbraw/zinc/72/26/26/884722626.db2.gz HDMUKUDAXGHSCV-SECBINFHSA-N 1 2 283.328 -1.293 20 0 CAADLO COCCC[NH+]1CC(O)(CNC(=O)c2ncn(C)n2)C1 ZINC001325208920 884722942 /nfs/dbraw/zinc/72/29/42/884722942.db2.gz WDOJACAKSKIMMN-UHFFFAOYSA-N 1 2 283.332 -1.372 20 0 CAADLO CCOCC[NH+]1CC(O)(CNC(=O)c2cn(C)c(=O)[nH]2)C1 ZINC001325258597 884724112 /nfs/dbraw/zinc/72/41/12/884724112.db2.gz FGMHXXWFJOATBK-UHFFFAOYSA-N 1 2 298.343 -1.061 20 0 CAADLO NC(=O)C(=O)NCC1(O)C[NH+](C[C@H]2CCc3ncnn32)C1 ZINC001325258990 884724497 /nfs/dbraw/zinc/72/44/97/884724497.db2.gz KOTXVTPHIBGKIP-MRVPVSSYSA-N 1 2 294.315 -2.586 20 0 CAADLO CC[NH+]1CC(O)(CNC(=O)c2cn(C)c(=O)[nH]2)C1 ZINC001325259874 884725504 /nfs/dbraw/zinc/72/55/04/884725504.db2.gz UJZGFPSJGLWRFI-UHFFFAOYSA-N 1 2 254.290 -1.078 20 0 CAADLO NC(=O)C(=O)NCC1(O)C[NH+](CCc2cccs2)C1 ZINC001325258918 884726182 /nfs/dbraw/zinc/72/61/82/884726182.db2.gz JAVWCYHURNUHAT-UHFFFAOYSA-N 1 2 283.353 -1.061 20 0 CAADLO C[C@H](O)C[NH+]1CC(O)(CNC(=O)c2cccnn2)C1 ZINC001325294222 884727035 /nfs/dbraw/zinc/72/70/35/884727035.db2.gz RKLGBOHYDKAHLR-VIFPVBQESA-N 1 2 266.301 -1.366 20 0 CAADLO C[C@H](O)C[NH+]1CC(O)(CNC(=O)CN2C(=O)CCC2=O)C1 ZINC001325309102 884728324 /nfs/dbraw/zinc/72/83/24/884728324.db2.gz UGSAGRKYLVVBFB-VIFPVBQESA-N 1 2 299.327 -2.321 20 0 CAADLO O=C(NCCn1cc[nH+]c1)C(=O)N1CCNC(=O)CC1 ZINC001325386120 884732346 /nfs/dbraw/zinc/73/23/46/884732346.db2.gz KPRNEMGFCHTHKC-UHFFFAOYSA-N 1 2 279.300 -1.652 20 0 CAADLO CO[C@@H]1CN(C(=O)C(=O)N2CC[NH+](C)CC2)C[C@@H]1OC ZINC001325458126 884733231 /nfs/dbraw/zinc/73/32/31/884733231.db2.gz IJKZRRWVTUEZFU-PHIMTYICSA-N 1 2 285.344 -1.367 20 0 CAADLO C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)NCc1nnn(C)n1 ZINC001325677358 884736475 /nfs/dbraw/zinc/73/64/75/884736475.db2.gz KDKVQLTVUPAACP-MRVPVSSYSA-N 1 2 292.303 -1.772 20 0 CAADLO COCCCC(=O)N[C@@]1(CO)CCC[N@H+](CC(N)=O)C1 ZINC001325817153 884745287 /nfs/dbraw/zinc/74/52/87/884745287.db2.gz AWFLRDIKAMZNJC-ZDUSSCGKSA-N 1 2 287.360 -1.159 20 0 CAADLO COCCCC(=O)N[C@@]1(CO)CCC[N@@H+](CC(N)=O)C1 ZINC001325817153 884745297 /nfs/dbraw/zinc/74/52/97/884745297.db2.gz AWFLRDIKAMZNJC-ZDUSSCGKSA-N 1 2 287.360 -1.159 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+]1CCC[C@](CO)(NC(=O)C(N)=O)C1 ZINC001325848648 884747159 /nfs/dbraw/zinc/74/71/59/884747159.db2.gz PNIVGPJJAWOUGC-UFBFGSQYSA-N 1 2 286.332 -2.451 20 0 CAADLO CNC(=O)[C@H](C)[N@H+]1CCC[C@](CO)(NC(=O)C(N)=O)C1 ZINC001325848648 884747169 /nfs/dbraw/zinc/74/71/69/884747169.db2.gz PNIVGPJJAWOUGC-UFBFGSQYSA-N 1 2 286.332 -2.451 20 0 CAADLO Cn1nncc1NC(=O)C(=O)N1CC[NH+](CCO)CC1 ZINC001325892185 884747695 /nfs/dbraw/zinc/74/76/95/884747695.db2.gz LQMRHXPFKPOPMU-UHFFFAOYSA-N 1 2 282.304 -2.110 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+]1CCC[C@@](CO)(NC(=O)C(N)=O)C1 ZINC001325848639 884747806 /nfs/dbraw/zinc/74/78/06/884747806.db2.gz PNIVGPJJAWOUGC-PRHODGIISA-N 1 2 286.332 -2.451 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+]1CCC[C@@](CO)(NC(=O)C(N)=O)C1 ZINC001325848639 884747820 /nfs/dbraw/zinc/74/78/20/884747820.db2.gz PNIVGPJJAWOUGC-PRHODGIISA-N 1 2 286.332 -2.451 20 0 CAADLO O=C([C@@H]1COC(=O)N1)N(CCO)CC[NH2+]Cc1cnon1 ZINC001326012114 884756415 /nfs/dbraw/zinc/75/64/15/884756415.db2.gz LAEXREPHZMPQED-VIFPVBQESA-N 1 2 299.287 -1.912 20 0 CAADLO [NH3+]CCCNC(=O)Cn1[nH]cc2c(=O)ncnc1-2 ZINC001326038290 884758223 /nfs/dbraw/zinc/75/82/23/884758223.db2.gz OBBCZHHLBAJYQS-UHFFFAOYSA-N 1 2 250.262 -1.464 20 0 CAADLO O=C(NCc1n[nH]c(=O)[nH]1)c1[nH]nc2c1C[NH2+]CC2 ZINC001326027472 884760418 /nfs/dbraw/zinc/76/04/18/884760418.db2.gz QKVQJVNDEVHFSM-UHFFFAOYSA-N 1 2 263.261 -1.191 20 0 CAADLO CO[C@H](C[NH3+])CC(=O)NCCCc1n[nH]c(=O)[nH]1 ZINC001326027227 884760705 /nfs/dbraw/zinc/76/07/05/884760705.db2.gz NRUDUHIUVXFXFC-ZETCQYMHSA-N 1 2 257.294 -1.077 20 0 CAADLO Cc1nnc(C[NH2+]CCN(CCO)C(=O)c2cn[nH]n2)o1 ZINC001326051894 884762052 /nfs/dbraw/zinc/76/20/52/884762052.db2.gz AARLIZZLSOPRHQ-UHFFFAOYSA-N 1 2 295.303 -1.280 20 0 CAADLO C[C@@H](C[NH3+])NC(=O)Cn1[nH]cc2c(=O)ncnc1-2 ZINC001326287752 884779390 /nfs/dbraw/zinc/77/93/90/884779390.db2.gz KGNZJLJYWPODNA-LURJTMIESA-N 1 2 250.262 -1.465 20 0 CAADLO C[C@@H](NC(=O)Cn1[nH]cc2c(=O)ncnc1-2)[C@H](C)[NH3+] ZINC001326289332 884780378 /nfs/dbraw/zinc/78/03/78/884780378.db2.gz RLTWHYKXAABPKZ-NKWVEPMBSA-N 1 2 264.289 -1.077 20 0 CAADLO [NH3+]CC(=O)NCC(=O)N[C@@H]1CCCc2cn[nH]c21 ZINC001326341023 884785933 /nfs/dbraw/zinc/78/59/33/884785933.db2.gz QEZJQEUBXKALTI-MRVPVSSYSA-N 1 2 251.290 -1.022 20 0 CAADLO CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)C(=O)NC1CC1 ZINC001326582082 884810361 /nfs/dbraw/zinc/81/03/61/884810361.db2.gz JIWNSCNNISCWHC-SECBINFHSA-N 1 2 269.301 -1.372 20 0 CAADLO CO[C@@H](C)C[N@@H+]1CCOC[C@H]1CNC(=O)CC(N)=O ZINC001326618639 884814055 /nfs/dbraw/zinc/81/40/55/884814055.db2.gz ZRXBTWDXBQBSSP-VHSXEESVSA-N 1 2 273.333 -1.286 20 0 CAADLO CO[C@@H](C)C[N@H+]1CCOC[C@H]1CNC(=O)CC(N)=O ZINC001326618639 884814067 /nfs/dbraw/zinc/81/40/67/884814067.db2.gz ZRXBTWDXBQBSSP-VHSXEESVSA-N 1 2 273.333 -1.286 20 0 CAADLO CO[C@H](C)C[N@@H+]1CCOC[C@@H]1CNC(=O)CC(N)=O ZINC001326618640 884814530 /nfs/dbraw/zinc/81/45/30/884814530.db2.gz ZRXBTWDXBQBSSP-ZJUUUORDSA-N 1 2 273.333 -1.286 20 0 CAADLO CO[C@H](C)C[N@H+]1CCOC[C@@H]1CNC(=O)CC(N)=O ZINC001326618640 884814537 /nfs/dbraw/zinc/81/45/37/884814537.db2.gz ZRXBTWDXBQBSSP-ZJUUUORDSA-N 1 2 273.333 -1.286 20 0 CAADLO CC[N@@H+]1CCOC[C@H]1CNC(=O)CN1C(=O)CNC1=O ZINC001326666455 884822553 /nfs/dbraw/zinc/82/25/53/884822553.db2.gz DRUWHPLINZQKBX-SECBINFHSA-N 1 2 284.316 -1.625 20 0 CAADLO CC[N@H+]1CCOC[C@H]1CNC(=O)CN1C(=O)CNC1=O ZINC001326666455 884822562 /nfs/dbraw/zinc/82/25/62/884822562.db2.gz DRUWHPLINZQKBX-SECBINFHSA-N 1 2 284.316 -1.625 20 0 CAADLO CNC(=O)NC(=O)C[N@@H+]1CCC[C@]2(C1)NC(=O)NC2=O ZINC001326720317 884825036 /nfs/dbraw/zinc/82/50/36/884825036.db2.gz JSUJRTHDGSJILX-LLVKDONJSA-N 1 2 283.288 -1.884 20 0 CAADLO CNC(=O)NC(=O)C[N@H+]1CCC[C@]2(C1)NC(=O)NC2=O ZINC001326720317 884825041 /nfs/dbraw/zinc/82/50/41/884825041.db2.gz JSUJRTHDGSJILX-LLVKDONJSA-N 1 2 283.288 -1.884 20 0 CAADLO CCn1ncnc1C[NH2+]C1(CNC(=O)C(N)=O)CCC1 ZINC001326876881 884842357 /nfs/dbraw/zinc/84/23/57/884842357.db2.gz CPYPISAJYKDNDI-UHFFFAOYSA-N 1 2 280.332 -1.088 20 0 CAADLO COC(=O)[C@H]([NH3+])Cc1cn(-c2cnnn2C)nn1 ZINC001326917194 884846043 /nfs/dbraw/zinc/84/60/43/884846043.db2.gz KGTKOTKSGLAHBZ-SSDOTTSWSA-N 1 2 251.250 -1.561 20 0 CAADLO COC(=O)C1(O)CC[NH+]([C@@H]2CCC(=O)NC2=O)CC1 ZINC001327011777 884852486 /nfs/dbraw/zinc/85/24/86/884852486.db2.gz BFCUEVRQGUFFAS-MRVPVSSYSA-N 1 2 270.285 -1.209 20 0 CAADLO O=C1CC[C@@H](C[N@@H+]2CCN3C(=O)NC(=O)[C@@H]3C2)N1 ZINC001327221227 884872001 /nfs/dbraw/zinc/87/20/01/884872001.db2.gz CLSKVWCJXUMUOH-YUMQZZPRSA-N 1 2 252.274 -1.499 20 0 CAADLO O=C1CC[C@@H](C[N@H+]2CCN3C(=O)NC(=O)[C@@H]3C2)N1 ZINC001327221227 884872017 /nfs/dbraw/zinc/87/20/17/884872017.db2.gz CLSKVWCJXUMUOH-YUMQZZPRSA-N 1 2 252.274 -1.499 20 0 CAADLO COC[C@@H](O)C[NH+]1CC2(C1)C[C@@H](NC(C)=O)CO2 ZINC001327373970 884882522 /nfs/dbraw/zinc/88/25/22/884882522.db2.gz XIOOIUQUELFBFG-MNOVXSKESA-N 1 2 258.318 -1.027 20 0 CAADLO C[C@@H](O)C[NH+]1CC2(C1)C[C@H](NC(=O)C(C)(C)C(N)=O)CO2 ZINC001327397960 884882702 /nfs/dbraw/zinc/88/27/02/884882702.db2.gz YKBFBZMBDZWWMW-ZJUUUORDSA-N 1 2 299.371 -1.162 20 0 CAADLO COC[C@@H](O)C[NH+]1CC2(C1)C[C@H](NC(C)=O)CO2 ZINC001327373971 884882856 /nfs/dbraw/zinc/88/28/56/884882856.db2.gz XIOOIUQUELFBFG-QWRGUYRKSA-N 1 2 258.318 -1.027 20 0 CAADLO CC[NH+]1CCN(C(=O)C(=O)N2C[C@H](O)C[C@@H]2COC)CC1 ZINC001327373521 884883469 /nfs/dbraw/zinc/88/34/69/884883469.db2.gz AZOBMDXXAWBGMW-VXGBXAGGSA-N 1 2 299.371 -1.241 20 0 CAADLO COCC[NH+]1CC2(C1)C[C@@H](NC(=O)CC(N)=O)CO2 ZINC001327380600 884884267 /nfs/dbraw/zinc/88/42/67/884884267.db2.gz UFAPQXPQLRIMNN-SECBINFHSA-N 1 2 271.317 -1.532 20 0 CAADLO COC(=O)CNC(=O)CNC(=O)CCc1c[nH]c[nH+]1 ZINC001327636537 884914846 /nfs/dbraw/zinc/91/48/46/884914846.db2.gz WWKNIDFYWWSVPN-UHFFFAOYSA-N 1 2 268.273 -1.252 20 0 CAADLO COC(=O)CNC(=O)CNC(=O)CCc1c[nH+]c[nH]1 ZINC001327636537 884914861 /nfs/dbraw/zinc/91/48/61/884914861.db2.gz WWKNIDFYWWSVPN-UHFFFAOYSA-N 1 2 268.273 -1.252 20 0 CAADLO C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)NCC[S@@](C)=O ZINC001327657970 884917448 /nfs/dbraw/zinc/91/74/48/884917448.db2.gz OZVDHJLDDDBXSN-AYLIAGHASA-N 1 2 286.357 -1.118 20 0 CAADLO C[NH+]1CCN(C(=O)c2cnn(C[C@H](O)CO)c2)CC1 ZINC001327745441 884924627 /nfs/dbraw/zinc/92/46/27/884924627.db2.gz PFXMBKGTSSMHHA-NSHDSACASA-N 1 2 268.317 -1.376 20 0 CAADLO C[C@H](CN1CC[NH+](C)CC1)NC(=O)CN1CC[NH+](C)CC1 ZINC001327751848 884926093 /nfs/dbraw/zinc/92/60/93/884926093.db2.gz MDQPNOMHJVZGPN-CQSZACIVSA-N 1 2 297.447 -1.014 20 0 CAADLO C[C@H](c1nnnn1C1CC1)[N@@H+]1CC[C@@](O)(C(N)=O)C1 ZINC001327836847 884932912 /nfs/dbraw/zinc/93/29/12/884932912.db2.gz YAXIYELUGCIMOQ-HQJQHLMTSA-N 1 2 266.305 -1.009 20 0 CAADLO C[C@H](c1nnnn1C1CC1)[N@H+]1CC[C@@](O)(C(N)=O)C1 ZINC001327836847 884932930 /nfs/dbraw/zinc/93/29/30/884932930.db2.gz YAXIYELUGCIMOQ-HQJQHLMTSA-N 1 2 266.305 -1.009 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCCN2C=O)C1 ZINC001327934032 884943009 /nfs/dbraw/zinc/94/30/09/884943009.db2.gz HYVYHRBUPSCIQQ-QWRGUYRKSA-N 1 2 282.344 -1.327 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCCN2C=O)C1 ZINC001327934032 884943024 /nfs/dbraw/zinc/94/30/24/884943024.db2.gz HYVYHRBUPSCIQQ-QWRGUYRKSA-N 1 2 282.344 -1.327 20 0 CAADLO O=C(NCCCn1cc[nH+]c1)C(=O)N[C@H]1CCNC1=O ZINC001328217098 884961401 /nfs/dbraw/zinc/96/14/01/884961401.db2.gz VKLBLVLHYRZUNU-VIFPVBQESA-N 1 2 279.300 -1.606 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@H](NC(=O)C[C@H]2CC(=O)N2)C1 ZINC001328313566 884967859 /nfs/dbraw/zinc/96/78/59/884967859.db2.gz DAYOCWNXCZIELY-IUCAKERBSA-N 1 2 268.317 -1.669 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@H](NC(=O)C[C@H]2CC(=O)N2)C1 ZINC001328313566 884967865 /nfs/dbraw/zinc/96/78/65/884967865.db2.gz DAYOCWNXCZIELY-IUCAKERBSA-N 1 2 268.317 -1.669 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@@H](NC(=O)C[C@H]2CC(=O)N2)C1 ZINC001328313564 884968611 /nfs/dbraw/zinc/96/86/11/884968611.db2.gz DAYOCWNXCZIELY-BDAKNGLRSA-N 1 2 268.317 -1.669 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@@H](NC(=O)C[C@H]2CC(=O)N2)C1 ZINC001328313564 884968628 /nfs/dbraw/zinc/96/86/28/884968628.db2.gz DAYOCWNXCZIELY-BDAKNGLRSA-N 1 2 268.317 -1.669 20 0 CAADLO COCC[NH2+]Cc1nc(-c2cn(C)c(=O)n(C)c2=O)no1 ZINC001328413019 884981650 /nfs/dbraw/zinc/98/16/50/884981650.db2.gz MWQGBPMGJQYGDO-UHFFFAOYSA-N 1 2 295.299 -1.130 20 0 CAADLO O=C(CN1C(=O)CNC1=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC001328430373 884985487 /nfs/dbraw/zinc/98/54/87/884985487.db2.gz CSIFYHWFSGLBEI-SNVBAGLBSA-N 1 2 296.327 -1.529 20 0 CAADLO O=C(Cc1[nH]cc[nH+]1)N1CCN2C(=O)NC(=O)[C@H]2C1 ZINC001328515693 884995197 /nfs/dbraw/zinc/99/51/97/884995197.db2.gz YSBKQUQCNYTGQO-SSDOTTSWSA-N 1 2 263.257 -1.285 20 0 CAADLO CCC[C@@H](NC(=O)CNC(=O)C[NH3+])c1nn[nH]n1 ZINC001328523167 884997185 /nfs/dbraw/zinc/99/71/85/884997185.db2.gz UIKMLYQJSVYTSV-ZCFIWIBFSA-N 1 2 255.282 -1.768 20 0 CAADLO NC(=O)c1ncn(CC(=O)NCCCn2cc[nH+]c2)n1 ZINC001328656525 885008999 /nfs/dbraw/zinc/00/89/99/885008999.db2.gz QMTWKVVNMNRSSM-UHFFFAOYSA-N 1 2 277.288 -1.220 20 0 CAADLO CN1C(=O)C(=O)N(CC(=O)N[C@@H]2CCn3c[nH+]cc32)C1=O ZINC001328655782 885009259 /nfs/dbraw/zinc/00/92/59/885009259.db2.gz FNCGRNYZZMHFKH-SSDOTTSWSA-N 1 2 291.267 -1.135 20 0 CAADLO NC(=O)[C@@H](O)CNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001328676947 885012627 /nfs/dbraw/zinc/01/26/27/885012627.db2.gz SIAYILBSOWYQQH-VIFPVBQESA-N 1 2 266.301 -1.276 20 0 CAADLO COC(=O)c1cnc(C[N@H+]2C[C@@H](O)[C@@H](O)C2)cn1 ZINC001328755656 885020867 /nfs/dbraw/zinc/02/08/67/885020867.db2.gz MAKYMPSIHPUKFW-AOOOYVTPSA-N 1 2 253.258 -1.199 20 0 CAADLO COC(=O)c1cnc(C[N@@H+]2C[C@@H](O)[C@@H](O)C2)cn1 ZINC001328755656 885020879 /nfs/dbraw/zinc/02/08/79/885020879.db2.gz MAKYMPSIHPUKFW-AOOOYVTPSA-N 1 2 253.258 -1.199 20 0 CAADLO COC(=O)[C@@H]1C[C@H](N2C(=O)CNC2=O)C[N@@H+]1CC[C@H](C)O ZINC001328904662 885033591 /nfs/dbraw/zinc/03/35/91/885033591.db2.gz JSZYTKFQGYAVIT-GUBZILKMSA-N 1 2 299.327 -1.075 20 0 CAADLO COC(=O)[C@@H]1C[C@H](N2C(=O)CNC2=O)C[N@H+]1CC[C@H](C)O ZINC001328904662 885033605 /nfs/dbraw/zinc/03/36/05/885033605.db2.gz JSZYTKFQGYAVIT-GUBZILKMSA-N 1 2 299.327 -1.075 20 0 CAADLO O=C(NCCn1cc[nH+]c1)C(=O)N1C[C@@H]2C[C@H]1C[S@]2=O ZINC001328910763 885033868 /nfs/dbraw/zinc/03/38/68/885033868.db2.gz VQSULPYDQAXCBP-QDDONVENSA-N 1 2 296.352 -1.269 20 0 CAADLO NC(=O)C[C@@H]1C[N@H+](CCN2CCNC2=O)CCO1 ZINC001328900406 885035541 /nfs/dbraw/zinc/03/55/41/885035541.db2.gz HFKXOYOPFXJZSS-SECBINFHSA-N 1 2 256.306 -1.412 20 0 CAADLO NC(=O)C[C@@H]1C[N@@H+](CCN2CCNC2=O)CCO1 ZINC001328900406 885035550 /nfs/dbraw/zinc/03/55/50/885035550.db2.gz HFKXOYOPFXJZSS-SECBINFHSA-N 1 2 256.306 -1.412 20 0 CAADLO COC(=O)CNC(=O)CNC(=O)[C@H](C)n1cc[nH+]c1 ZINC001329084471 885057953 /nfs/dbraw/zinc/05/79/53/885057953.db2.gz LWYDCVROAPNVLT-QMMMGPOBSA-N 1 2 268.273 -1.151 20 0 CAADLO Cn1c[nH+]cc1CC(=O)NN1CC(=O)N(C)C1=O ZINC001329127537 885070200 /nfs/dbraw/zinc/07/02/00/885070200.db2.gz OXBFOHCKZJVCIZ-UHFFFAOYSA-N 1 2 251.246 -1.112 20 0 CAADLO O=C(C[C@@H]1C[NH2+]CCO1)NCCCc1n[nH]c(=O)[nH]1 ZINC001329282999 885085229 /nfs/dbraw/zinc/08/52/29/885085229.db2.gz XVAPYCCESRFSAU-MRVPVSSYSA-N 1 2 269.305 -1.062 20 0 CAADLO O=C(CN1CC[NH2+]CC1=O)NCCCN1C(=O)CNC1=O ZINC001329274541 885085712 /nfs/dbraw/zinc/08/57/12/885085712.db2.gz YOYGJPIKAMAIHK-UHFFFAOYSA-N 1 2 297.315 -2.524 20 0 CAADLO CC(=O)OC[C@H](CO)NC(=O)/C=C\C[NH+]1CCOCC1 ZINC001329476858 885106812 /nfs/dbraw/zinc/10/68/12/885106812.db2.gz LCNXGLAAUGBOGC-DLGQBQFBSA-N 1 2 286.328 -1.085 20 0 CAADLO CCOCC[NH+]1CC(CCO)(NC(=O)Cn2cnnn2)C1 ZINC001329638801 885125749 /nfs/dbraw/zinc/12/57/49/885125749.db2.gz RTMHAGVMYQZQBO-UHFFFAOYSA-N 1 2 298.347 -1.737 20 0 CAADLO COCC[NH+]1CC(CCO)(NC(=O)[C@H]2CCN(C)C2=O)C1 ZINC001329682337 885128897 /nfs/dbraw/zinc/12/88/97/885128897.db2.gz SIZMTDQPLUMKKL-LLVKDONJSA-N 1 2 299.371 -1.336 20 0 CAADLO COCC[NH+]1CC(CCO)(NC(=O)[C@@H]2CCN(C)C2=O)C1 ZINC001329682338 885129279 /nfs/dbraw/zinc/12/92/79/885129279.db2.gz SIZMTDQPLUMKKL-NSHDSACASA-N 1 2 299.371 -1.336 20 0 CAADLO COCCC[NH+]1CC(CCO)(NC(=O)C(N)=O)C1 ZINC001329693176 885132581 /nfs/dbraw/zinc/13/25/81/885132581.db2.gz NWKKPICHAIRAIQ-UHFFFAOYSA-N 1 2 259.306 -1.939 20 0 CAADLO O=C(C[C@H]1CC(=O)NC1=O)NC1(CCO)C[NH+](CCO)C1 ZINC001329720959 885132705 /nfs/dbraw/zinc/13/27/05/885132705.db2.gz QCNUDNPUTCTLBO-SECBINFHSA-N 1 2 299.327 -2.416 20 0 CAADLO COC[C@H](C)[NH+]1CC(CCO)(NC(=O)[C@H]2CCNC2=O)C1 ZINC001329682363 885133476 /nfs/dbraw/zinc/13/34/76/885133476.db2.gz SXWKRNKHISKCTQ-QWRGUYRKSA-N 1 2 299.371 -1.290 20 0 CAADLO C[NH+]1CCN(C(=O)C(=O)N2CCCNC(=O)C2)CC1 ZINC001329789215 885139968 /nfs/dbraw/zinc/13/99/68/885139968.db2.gz FAEWRESTORLMJZ-UHFFFAOYSA-N 1 2 268.317 -1.891 20 0 CAADLO Cc1nn(CC(=O)NCc2c[nH+]cn2C)c(=O)n1C ZINC001329820348 885141771 /nfs/dbraw/zinc/14/17/71/885141771.db2.gz JVPKQLLPIJDVBJ-UHFFFAOYSA-N 1 2 264.289 -1.060 20 0 CAADLO O=C1CC[C@@H](C[N@@H+]2CCN3C(=O)NC(=O)[C@H]3C2)O1 ZINC001329878173 885149602 /nfs/dbraw/zinc/14/96/02/885149602.db2.gz YXVMIUZRRMKHKR-JGVFFNPUSA-N 1 2 253.258 -1.072 20 0 CAADLO O=C1CC[C@@H](C[N@H+]2CCN3C(=O)NC(=O)[C@H]3C2)O1 ZINC001329878173 885149610 /nfs/dbraw/zinc/14/96/10/885149610.db2.gz YXVMIUZRRMKHKR-JGVFFNPUSA-N 1 2 253.258 -1.072 20 0 CAADLO CN(C)S(=O)(=O)CC(=O)NCc1c[nH+]cn1C ZINC001329869217 885149803 /nfs/dbraw/zinc/14/98/03/885149803.db2.gz NSRDMMVEAVCKND-UHFFFAOYSA-N 1 2 260.319 -1.072 20 0 CAADLO NC(=O)[C@@]1(O)CC[N@H+](CC(=O)Nc2cnccn2)C1 ZINC001329894172 885153436 /nfs/dbraw/zinc/15/34/36/885153436.db2.gz DSLCBSSUBYJLHE-LLVKDONJSA-N 1 2 265.273 -1.663 20 0 CAADLO NC(=O)[C@@]1(O)CC[N@@H+](CC(=O)Nc2cnccn2)C1 ZINC001329894172 885153448 /nfs/dbraw/zinc/15/34/48/885153448.db2.gz DSLCBSSUBYJLHE-LLVKDONJSA-N 1 2 265.273 -1.663 20 0 CAADLO C[N@@H+]1CCO[C@@H](C(=O)N[C@]2(C(N)=O)CCOC2)C1 ZINC001329925762 885157517 /nfs/dbraw/zinc/15/75/17/885157517.db2.gz UUPJKSKXQROLKU-LDYMZIIASA-N 1 2 257.290 -1.922 20 0 CAADLO C[N@H+]1CCO[C@@H](C(=O)N[C@]2(C(N)=O)CCOC2)C1 ZINC001329925762 885157521 /nfs/dbraw/zinc/15/75/21/885157521.db2.gz UUPJKSKXQROLKU-LDYMZIIASA-N 1 2 257.290 -1.922 20 0 CAADLO C[NH2+]C[C@@H](C)NC(=O)Cn1[nH]cc2c(=O)ncnc1-2 ZINC001329949693 885160320 /nfs/dbraw/zinc/16/03/20/885160320.db2.gz FXEDEDMDKBKDGF-SSDOTTSWSA-N 1 2 264.289 -1.205 20 0 CAADLO COCCOCC(=O)N[C@H](C)C1C[NH+](CC(N)=O)C1 ZINC001329972881 885162936 /nfs/dbraw/zinc/16/29/36/885162936.db2.gz SSUCHTWBXRJGOY-SECBINFHSA-N 1 2 273.333 -1.429 20 0 CAADLO C[C@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2cnnn2C)CC1 ZINC001329981241 885163625 /nfs/dbraw/zinc/16/36/25/885163625.db2.gz JDRSLKTZHYWLBR-VIFPVBQESA-N 1 2 296.331 -1.721 20 0 CAADLO CCNC(=O)CC(=O)N[C@H](C)C1C[NH+](CC(=O)NC)C1 ZINC001329981951 885163653 /nfs/dbraw/zinc/16/36/53/885163653.db2.gz ATBSLWSKSOYZCL-SECBINFHSA-N 1 2 284.360 -1.305 20 0 CAADLO O=C(NCCCn1cc[nH+]c1)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1 ZINC001329988524 885163668 /nfs/dbraw/zinc/16/36/68/885163668.db2.gz QKZHJHWRIPKJCM-IJLUTSLNSA-N 1 2 281.312 -1.198 20 0 CAADLO Cc1nccn1CCNC(=O)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC001330025344 885166826 /nfs/dbraw/zinc/16/68/26/885166826.db2.gz WYPFIDGEJXCGLW-LLVKDONJSA-N 1 2 295.343 -1.588 20 0 CAADLO COCC[C@@H](NC(=O)/C=C/C[NH+]1CCOCC1)C(N)=O ZINC001330380256 885191058 /nfs/dbraw/zinc/19/10/58/885191058.db2.gz VMFIJERIFNKFTE-KXMPLOMGSA-N 1 2 285.344 -1.119 20 0 CAADLO Cn1cnnc1S(=O)(=O)NCC[NH+]1CC=CC1 ZINC001330373923 885191664 /nfs/dbraw/zinc/19/16/64/885191664.db2.gz WRRFHMYVPKEAQW-UHFFFAOYSA-N 1 2 257.319 -1.035 20 0 CAADLO COC(=O)C[C@@H]1C(=O)NCC[N@H+]1C[C@@H]1CNC(=O)C1 ZINC001330544726 885202647 /nfs/dbraw/zinc/20/26/47/885202647.db2.gz JUPBNLVIEFZNQB-DTWKUNHWSA-N 1 2 269.301 -1.514 20 0 CAADLO COC(=O)C[C@@H]1C(=O)NCC[N@@H+]1C[C@@H]1CNC(=O)C1 ZINC001330544726 885202666 /nfs/dbraw/zinc/20/26/66/885202666.db2.gz JUPBNLVIEFZNQB-DTWKUNHWSA-N 1 2 269.301 -1.514 20 0 CAADLO CC[NH+]1CCN(C(=O)C(=O)N2CC(O)(C(=O)OC)C2)CC1 ZINC001330553519 885207452 /nfs/dbraw/zinc/20/74/52/885207452.db2.gz ZRMSOLVCLKSOET-UHFFFAOYSA-N 1 2 299.327 -2.103 20 0 CAADLO COC(=O)CC[C@@H](C(=O)OC)[N@@H+]1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC001330566980 885207857 /nfs/dbraw/zinc/20/78/57/885207857.db2.gz MCRMNGWTXPQEGL-YIZRAAEISA-N 1 2 298.295 -1.314 20 0 CAADLO COC(=O)CC[C@@H](C(=O)OC)[N@H+]1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC001330566980 885207874 /nfs/dbraw/zinc/20/78/74/885207874.db2.gz MCRMNGWTXPQEGL-YIZRAAEISA-N 1 2 298.295 -1.314 20 0 CAADLO O=C(C[C@@H]1CC(=O)N1)N1CCO[C@H](C[NH+]2CCOCC2)C1 ZINC001330603845 885210527 /nfs/dbraw/zinc/21/05/27/885210527.db2.gz NZGPMZAZZZMOOR-NWDGAFQWSA-N 1 2 297.355 -1.175 20 0 CAADLO O=C(C[C@@H]1CC(=O)N1)N1CCO[C@@H](C[NH+]2CCOCC2)C1 ZINC001330603847 885212136 /nfs/dbraw/zinc/21/21/36/885212136.db2.gz NZGPMZAZZZMOOR-RYUDHWBXSA-N 1 2 297.355 -1.175 20 0 CAADLO CN(C)S(=O)(=O)NCC[NH2+]Cc1ncnn1C ZINC001330623320 885214087 /nfs/dbraw/zinc/21/40/87/885214087.db2.gz ZPQXAOPKRJLURT-UHFFFAOYSA-N 1 2 262.339 -1.699 20 0 CAADLO CNC(=O)CN(CCn1cc[nH+]c1)CC(=O)NC ZINC001330738568 885225717 /nfs/dbraw/zinc/22/57/17/885225717.db2.gz QKRALFJRMOLBRW-UHFFFAOYSA-N 1 2 253.306 -1.323 20 0 CAADLO COCC[N@H+](C)Cc1cn(CCN2C(=O)CNC2=O)nn1 ZINC001330774882 885226303 /nfs/dbraw/zinc/22/63/03/885226303.db2.gz NSUATQHTENMYDI-UHFFFAOYSA-N 1 2 296.331 -1.092 20 0 CAADLO COCC[N@@H+](C)Cc1cn(CCN2C(=O)CNC2=O)nn1 ZINC001330774882 885226319 /nfs/dbraw/zinc/22/63/19/885226319.db2.gz NSUATQHTENMYDI-UHFFFAOYSA-N 1 2 296.331 -1.092 20 0 CAADLO CNC(=O)[C@@H](C)NS(=O)(=O)CCn1cc[nH+]c1 ZINC001330812143 885230096 /nfs/dbraw/zinc/23/00/96/885230096.db2.gz HDWKAWVTEFSALV-MRVPVSSYSA-N 1 2 260.319 -1.063 20 0 CAADLO CN(C)S(=O)(=O)NCCNC(=O)Cc1[nH]cc[nH+]1 ZINC001330833594 885233009 /nfs/dbraw/zinc/23/30/09/885233009.db2.gz VZPJTDFKVIGMOV-UHFFFAOYSA-N 1 2 275.334 -1.536 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CC(=O)N2)C1 ZINC001330885331 885237182 /nfs/dbraw/zinc/23/71/82/885237182.db2.gz HJVYZCZIWLWZQN-YUMQZZPRSA-N 1 2 254.290 -2.059 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2CC(=O)N2)C1 ZINC001330885331 885237198 /nfs/dbraw/zinc/23/71/98/885237198.db2.gz HJVYZCZIWLWZQN-YUMQZZPRSA-N 1 2 254.290 -2.059 20 0 CAADLO CN1C[C@H](C[N@H+](C)CCS(N)(=O)=O)OC1=O ZINC001331181710 885260066 /nfs/dbraw/zinc/26/00/66/885260066.db2.gz YOABZQNGGKAFPC-ZETCQYMHSA-N 1 2 251.308 -1.343 20 0 CAADLO CN1C[C@H](C[N@@H+](C)CCS(N)(=O)=O)OC1=O ZINC001331181710 885260082 /nfs/dbraw/zinc/26/00/82/885260082.db2.gz YOABZQNGGKAFPC-ZETCQYMHSA-N 1 2 251.308 -1.343 20 0 CAADLO CNS(=O)(=O)CC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC001331225996 885266496 /nfs/dbraw/zinc/26/64/96/885266496.db2.gz WXTQEIDLISVLHW-SSDOTTSWSA-N 1 2 258.303 -1.527 20 0 CAADLO CNS(=O)(=O)CC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC001331225998 885268966 /nfs/dbraw/zinc/26/89/66/885268966.db2.gz WXTQEIDLISVLHW-ZETCQYMHSA-N 1 2 258.303 -1.527 20 0 CAADLO O=S(=O)(CCn1cc[nH+]c1)NCCOCCO ZINC001331256986 885269661 /nfs/dbraw/zinc/26/96/61/885269661.db2.gz ISYZWTRDAULVTO-UHFFFAOYSA-N 1 2 263.319 -1.189 20 0 CAADLO CN(C(=O)C(N)=O)[C@H](C[NH2+]Cc1cnon1)C1CC1 ZINC001331319666 885270837 /nfs/dbraw/zinc/27/08/37/885270837.db2.gz PXYBGSRPQPEEBQ-SECBINFHSA-N 1 2 267.289 -1.119 20 0 CAADLO CON(C)C(=O)[C@H](C)[NH2+]Cc1cn(CC(N)=O)nn1 ZINC001331298593 885273577 /nfs/dbraw/zinc/27/35/77/885273577.db2.gz WZFNLPAMPDSDNV-ZETCQYMHSA-N 1 2 270.293 -1.739 20 0 CAADLO CNS(=O)(=O)CC(=O)NCCCn1cc[nH+]c1 ZINC001331365584 885274608 /nfs/dbraw/zinc/27/46/08/885274608.db2.gz WSIKGSQFWHAOAB-UHFFFAOYSA-N 1 2 260.319 -1.061 20 0 CAADLO CN1CC(=O)N(CC(=O)N[C@@H]2Cc3c[nH+]cn3C2)C1=O ZINC001331479313 885279754 /nfs/dbraw/zinc/27/97/54/885279754.db2.gz SORZOMILGUYBMG-MRVPVSSYSA-N 1 2 277.284 -1.182 20 0 CAADLO CC[NH+]1CCN(C(=O)C(=O)N2C[C@@H]3COC(=O)[C@@H]3C2)CC1 ZINC001331574025 885286018 /nfs/dbraw/zinc/28/60/18/885286018.db2.gz WZPJSBDZVJRVEP-GHMZBOCLSA-N 1 2 295.339 -1.218 20 0 CAADLO Cn1ncc(C[NH2+][C@@H](CO)CNC(=O)C(=O)C(C)(C)C)n1 ZINC001331683987 885311427 /nfs/dbraw/zinc/31/14/27/885311427.db2.gz NCYLVDGXTRGBCZ-SNVBAGLBSA-N 1 2 297.359 -1.003 20 0 CAADLO Cc1nnc(C[NH2+][C@@H](CO)CNC(=O)CC(N)=O)s1 ZINC001331684291 885311466 /nfs/dbraw/zinc/31/14/66/885311466.db2.gz OKZXJJCPQKREMN-SSDOTTSWSA-N 1 2 287.345 -1.711 20 0 CAADLO Cc1ccnc(C[NH2+][C@@H](CO)CNC(=O)CC(N)=O)n1 ZINC001331685971 885312461 /nfs/dbraw/zinc/31/24/61/885312461.db2.gz UGAZKYPCEVJJER-SECBINFHSA-N 1 2 281.316 -1.773 20 0 CAADLO O=C(CN1C(=O)CNC1=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC001331715794 885323857 /nfs/dbraw/zinc/32/38/57/885323857.db2.gz PJDUMMYTJFRWCP-MRVPVSSYSA-N 1 2 277.284 -1.134 20 0 CAADLO O=C(CN1CC[NH2+]CC1=O)NCCC[C@@H]1CCOC1=O ZINC001331727799 885326623 /nfs/dbraw/zinc/32/66/23/885326623.db2.gz IMYACCBCDTXMBA-SNVBAGLBSA-N 1 2 283.328 -1.122 20 0 CAADLO O=C(CN1CC[NH2+]CC1=O)NCCC[C@H]1CCOC1=O ZINC001331727798 885327496 /nfs/dbraw/zinc/32/74/96/885327496.db2.gz IMYACCBCDTXMBA-JTQLQIEISA-N 1 2 283.328 -1.122 20 0 CAADLO C[C@H](O)[C@@H]1C[N@H+](CCCS(N)(=O)=O)CCO1 ZINC001331769939 885341480 /nfs/dbraw/zinc/34/14/80/885341480.db2.gz HIAKEIYLBSYSAY-IUCAKERBSA-N 1 2 252.336 -1.253 20 0 CAADLO C[C@H](O)[C@@H]1C[N@@H+](CCCS(N)(=O)=O)CCO1 ZINC001331769939 885341501 /nfs/dbraw/zinc/34/15/01/885341501.db2.gz HIAKEIYLBSYSAY-IUCAKERBSA-N 1 2 252.336 -1.253 20 0 CAADLO COc1cc(C[NH2+][C@H](CO)CNC(=O)C(N)=O)on1 ZINC001331774342 885343451 /nfs/dbraw/zinc/34/34/51/885343451.db2.gz LGPCMIVQCMAKCP-LURJTMIESA-N 1 2 272.261 -2.265 20 0 CAADLO O=C(Cc1[nH]cc[nH+]1)N(CCO)CCOCCO ZINC001331786696 885344725 /nfs/dbraw/zinc/34/47/25/885344725.db2.gz ZEQQYEWXKDTBKL-UHFFFAOYSA-N 1 2 257.290 -1.218 20 0 CAADLO COC[C@H](O)CNS(=O)(=O)CCn1cc[nH+]c1 ZINC001331909901 885363753 /nfs/dbraw/zinc/36/37/53/885363753.db2.gz KJAPWCLQYKFCFZ-SECBINFHSA-N 1 2 263.319 -1.190 20 0 CAADLO C[C@@H](C(=O)N=c1nc[nH]n1C)N1CC[NH+](C)CC1 ZINC001331921831 885364424 /nfs/dbraw/zinc/36/44/24/885364424.db2.gz ALNMUPWUNVLEAU-VIFPVBQESA-N 1 2 252.322 -1.189 20 0 CAADLO NC(=O)C[N@@H+]1CCCN(C(=O)/C=C\Cn2cncn2)CC1 ZINC001331909101 885366374 /nfs/dbraw/zinc/36/63/74/885366374.db2.gz AXABDAUXAUPFFW-IWQZZHSRSA-N 1 2 292.343 -1.146 20 0 CAADLO NC(=O)C[N@H+]1CCCN(C(=O)/C=C\Cn2cncn2)CC1 ZINC001331909101 885366387 /nfs/dbraw/zinc/36/63/87/885366387.db2.gz AXABDAUXAUPFFW-IWQZZHSRSA-N 1 2 292.343 -1.146 20 0 CAADLO NC(=O)C[N@@H+]1CCCN(C(=O)/C=C/Cn2cncn2)CC1 ZINC001331909100 885366950 /nfs/dbraw/zinc/36/69/50/885366950.db2.gz AXABDAUXAUPFFW-HNQUOIGGSA-N 1 2 292.343 -1.146 20 0 CAADLO NC(=O)C[N@H+]1CCCN(C(=O)/C=C/Cn2cncn2)CC1 ZINC001331909100 885366972 /nfs/dbraw/zinc/36/69/72/885366972.db2.gz AXABDAUXAUPFFW-HNQUOIGGSA-N 1 2 292.343 -1.146 20 0 CAADLO C/C(=C\C(=O)NCC(=O)NCCO)C[NH+]1CCOCC1 ZINC001331929263 885367960 /nfs/dbraw/zinc/36/79/60/885367960.db2.gz OMWKBSLBTRURLB-DHZHZOJOSA-N 1 2 285.344 -1.510 20 0 CAADLO C[C@H](O)C[NH+]1CCN(C(=O)CCc2nn[nH]n2)CC1 ZINC001332041213 885375247 /nfs/dbraw/zinc/37/52/47/885375247.db2.gz LBNPYOBKWONLQS-VIFPVBQESA-N 1 2 268.321 -1.343 20 0 CAADLO O=C(CNC(=O)[C@@H]1CCC[NH2+]1)NCCCc1n[nH]c(=O)[nH]1 ZINC001332141187 885381686 /nfs/dbraw/zinc/38/16/86/885381686.db2.gz CLFZYWJAFRIGAW-QMMMGPOBSA-N 1 2 296.331 -1.573 20 0 CAADLO O=C(/C=C/C[NH+]1CCOCC1)N[C@H]1CCNC1=O ZINC001332132862 885382806 /nfs/dbraw/zinc/38/28/06/885382806.db2.gz YURRJGNDUNZHNG-YOLVWIGZSA-N 1 2 253.302 -1.121 20 0 CAADLO O=C(CN1CC[NH2+]CC1=O)N1CC[C@@H](O)[C@@H](O)C1 ZINC001332188970 885384074 /nfs/dbraw/zinc/38/40/74/885384074.db2.gz KCFIMWUXVRRBBR-BDAKNGLRSA-N 1 2 257.290 -2.628 20 0 CAADLO COC[C@](C)(O)C(=O)N[C@H](CO)c1c[nH+]cn1C ZINC001332244382 885393268 /nfs/dbraw/zinc/39/32/68/885393268.db2.gz HYDUERXAUZNSNN-KCJUWKMLSA-N 1 2 257.290 -1.033 20 0 CAADLO COC[C@](C)(O)C(=O)N[C@@H](CO)c1c[nH+]cn1C ZINC001332244383 885395153 /nfs/dbraw/zinc/39/51/53/885395153.db2.gz HYDUERXAUZNSNN-KWQFWETISA-N 1 2 257.290 -1.033 20 0 CAADLO CN1C(=O)[C@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]2C1=O ZINC001332254980 885395218 /nfs/dbraw/zinc/39/52/18/885395218.db2.gz ILVUCEGBQMHDJN-DTORHVGOSA-N 1 2 262.269 -1.044 20 0 CAADLO Cn1c[nH+]cc1CNC(=O)CCn1cc[nH]c(=O)c1=O ZINC001332369701 885403131 /nfs/dbraw/zinc/40/31/31/885403131.db2.gz BFSUWHXHRQPRAU-UHFFFAOYSA-N 1 2 277.284 -1.023 20 0 CAADLO O=C(Cc1c[nH+]c[nH]1)N1CCN2C(=O)NC(=O)[C@H]2C1 ZINC001332407653 885407406 /nfs/dbraw/zinc/40/74/06/885407406.db2.gz GAFXZTLXQQFIES-MRVPVSSYSA-N 1 2 263.257 -1.285 20 0 CAADLO Cn1cc(C(=O)C(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)cn1 ZINC001332571202 885421595 /nfs/dbraw/zinc/42/15/95/885421595.db2.gz BGBPZQAMJVEWKZ-LLVKDONJSA-N 1 2 278.312 -1.120 20 0 CAADLO Cn1cc(C(=O)C(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)cn1 ZINC001332571202 885421598 /nfs/dbraw/zinc/42/15/98/885421598.db2.gz BGBPZQAMJVEWKZ-LLVKDONJSA-N 1 2 278.312 -1.120 20 0 CAADLO CCc1nnc(C[NH2+]C[C@H](O)CN(C)C(=O)C(N)=O)o1 ZINC001332559050 885421787 /nfs/dbraw/zinc/42/17/87/885421787.db2.gz AEUAPGUEFARLAN-ZETCQYMHSA-N 1 2 285.304 -1.974 20 0 CAADLO NC(=O)NCCNC(=O)/C=C\C[NH+]1CCOCC1 ZINC001332590297 885424567 /nfs/dbraw/zinc/42/45/67/885424567.db2.gz DFZQKXFLTZAHGT-UPHRSURJSA-N 1 2 256.306 -1.341 20 0 CAADLO C[C@@H]1C[N@H+](CCO)CCN1C(=O)c1nnn(C)n1 ZINC001332613343 885426622 /nfs/dbraw/zinc/42/66/22/885426622.db2.gz GAOORJRIADJZPA-MRVPVSSYSA-N 1 2 254.294 -1.651 20 0 CAADLO C[C@@H]1C[N@@H+](CCO)CCN1C(=O)c1nnn(C)n1 ZINC001332613343 885426625 /nfs/dbraw/zinc/42/66/25/885426625.db2.gz GAOORJRIADJZPA-MRVPVSSYSA-N 1 2 254.294 -1.651 20 0 CAADLO C[C@@H](NC(=O)CN1CC[NH+](C)CC1)[C@H]1C[N@H+](C)CCN1C ZINC001332753997 885436845 /nfs/dbraw/zinc/43/68/45/885436845.db2.gz AMKIKFNXTSPTQP-ZIAGYGMSSA-N 1 2 297.447 -1.016 20 0 CAADLO C[C@H](NC(=O)CN1CC[NH+](C)CC1)[C@@H]1C[N@H+](C)CCN1C ZINC001332753991 885436982 /nfs/dbraw/zinc/43/69/82/885436982.db2.gz AMKIKFNXTSPTQP-KBPBESRZSA-N 1 2 297.447 -1.016 20 0 CAADLO C[NH+](C)C[C@H]1NC(=O)N(CCS(C)(=O)=O)C1=O ZINC001332833505 885444038 /nfs/dbraw/zinc/44/40/38/885444038.db2.gz LPYKYMQYVOBQIL-SSDOTTSWSA-N 1 2 263.319 -1.487 20 0 CAADLO C[C@@H](CS(C)(=O)=O)N1C(=O)N[C@@H](C[NH+](C)C)C1=O ZINC001332832083 885444189 /nfs/dbraw/zinc/44/41/89/885444189.db2.gz BLKDAOSQECCPNF-YUMQZZPRSA-N 1 2 277.346 -1.099 20 0 CAADLO Cn1nnnc1CC[N@H+](C)[C@H]1CCS(=O)(=O)C1 ZINC001333020144 885453279 /nfs/dbraw/zinc/45/32/79/885453279.db2.gz WVKJBAFVZXTDDS-QMMMGPOBSA-N 1 2 259.335 -1.129 20 0 CAADLO Cn1nnnc1CC[N@@H+](C)[C@H]1CCS(=O)(=O)C1 ZINC001333020144 885453294 /nfs/dbraw/zinc/45/32/94/885453294.db2.gz WVKJBAFVZXTDDS-QMMMGPOBSA-N 1 2 259.335 -1.129 20 0 CAADLO O=C(NCCn1cc[nH+]c1)C(=O)N1CCOC[C@@H]1CCO ZINC001333043998 885453694 /nfs/dbraw/zinc/45/36/94/885453694.db2.gz MISVKZPJXSKIEM-NSHDSACASA-N 1 2 296.327 -1.391 20 0 CAADLO Cn1nnnc1CC[N@@H+]1CCO[C@@H](CC(N)=O)C1 ZINC001333056032 885454149 /nfs/dbraw/zinc/45/41/49/885454149.db2.gz YYKFVDYDKJGXMP-QMMMGPOBSA-N 1 2 254.294 -1.671 20 0 CAADLO Cn1nnnc1CC[N@H+]1CCO[C@@H](CC(N)=O)C1 ZINC001333056032 885454152 /nfs/dbraw/zinc/45/41/52/885454152.db2.gz YYKFVDYDKJGXMP-QMMMGPOBSA-N 1 2 254.294 -1.671 20 0 CAADLO NS(=O)(=O)C1C[NH+](C[C@@H]2CCNC(=O)CC2)C1 ZINC001333117366 885456899 /nfs/dbraw/zinc/45/68/99/885456899.db2.gz KPWHHENYYMHBEL-QMMMGPOBSA-N 1 2 261.347 -1.125 20 0 CAADLO O=C1CC[N@H+](C[C@H]2COCCO2)C2(COC2)CN1 ZINC001333084265 885456930 /nfs/dbraw/zinc/45/69/30/885456930.db2.gz JJURAHPAAWZRCP-JTQLQIEISA-N 1 2 256.302 -1.007 20 0 CAADLO O=C1CC[N@@H+](C[C@H]2COCCO2)C2(COC2)CN1 ZINC001333084265 885456935 /nfs/dbraw/zinc/45/69/35/885456935.db2.gz JJURAHPAAWZRCP-JTQLQIEISA-N 1 2 256.302 -1.007 20 0 CAADLO O=C1CC[N@H+](C[C@@H]2COCCO2)C2(COC2)CN1 ZINC001333084266 885457380 /nfs/dbraw/zinc/45/73/80/885457380.db2.gz JJURAHPAAWZRCP-SNVBAGLBSA-N 1 2 256.302 -1.007 20 0 CAADLO C[C@H]1COCC[N@@H+]1CCNC(=O)C[C@H]1CC(=O)NC1=O ZINC001333238512 885463886 /nfs/dbraw/zinc/46/38/86/885463886.db2.gz NUQWSIQKCGLJPW-UWVGGRQHSA-N 1 2 283.328 -1.124 20 0 CAADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)C[C@H]1CC(=O)NC1=O ZINC001333238514 885463635 /nfs/dbraw/zinc/46/36/35/885463635.db2.gz NUQWSIQKCGLJPW-ZJUUUORDSA-N 1 2 283.328 -1.124 20 0 CAADLO C[C@@H]1COCC[N@H+]1CCNC(=O)C[C@H]1CC(=O)NC1=O ZINC001333238514 885463642 /nfs/dbraw/zinc/46/36/42/885463642.db2.gz NUQWSIQKCGLJPW-ZJUUUORDSA-N 1 2 283.328 -1.124 20 0 CAADLO CC[NH+]1CCN(C(=O)C(=O)NCC[C@@H]2CNC(=O)C2)CC1 ZINC001333280208 885466806 /nfs/dbraw/zinc/46/68/06/885466806.db2.gz YMYIUKRHFDHZMC-NSHDSACASA-N 1 2 296.371 -1.207 20 0 CAADLO CC[NH+]1CCN(C(=O)C(=O)NCC[C@H]2CNC(=O)C2)CC1 ZINC001333280207 885467550 /nfs/dbraw/zinc/46/75/50/885467550.db2.gz YMYIUKRHFDHZMC-LLVKDONJSA-N 1 2 296.371 -1.207 20 0 CAADLO C[C@@H]1C[N@H+](CCNC(=O)CCn2cnnn2)CCO1 ZINC001333252550 885468792 /nfs/dbraw/zinc/46/87/92/885468792.db2.gz DJIZHTKZMHNPAJ-SNVBAGLBSA-N 1 2 268.321 -1.100 20 0 CAADLO C[C@@H]1C[N@@H+](CCNC(=O)CCn2cnnn2)CCO1 ZINC001333252550 885468797 /nfs/dbraw/zinc/46/87/97/885468797.db2.gz DJIZHTKZMHNPAJ-SNVBAGLBSA-N 1 2 268.321 -1.100 20 0 CAADLO C[C@H]1C[N@H+](CCNC(=O)CCn2cnnn2)CCO1 ZINC001333252549 885468928 /nfs/dbraw/zinc/46/89/28/885468928.db2.gz DJIZHTKZMHNPAJ-JTQLQIEISA-N 1 2 268.321 -1.100 20 0 CAADLO C[C@H]1C[N@@H+](CCNC(=O)CCn2cnnn2)CCO1 ZINC001333252549 885468933 /nfs/dbraw/zinc/46/89/33/885468933.db2.gz DJIZHTKZMHNPAJ-JTQLQIEISA-N 1 2 268.321 -1.100 20 0 CAADLO Cn1c[nH+]cc1[C@H](CO)NC(=O)C(=O)NCC(F)F ZINC001333409704 885478023 /nfs/dbraw/zinc/47/80/23/885478023.db2.gz PLKBNCADLRTVFS-LURJTMIESA-N 1 2 276.243 -1.049 20 0 CAADLO COCCOC[C@H](O)C[N@@H+]1CCC(=O)NCC12COC2 ZINC001333490648 885484803 /nfs/dbraw/zinc/48/48/03/885484803.db2.gz LCSOTNKDJSSMCY-LLVKDONJSA-N 1 2 288.344 -1.399 20 0 CAADLO COCCOC[C@H](O)C[N@H+]1CCC(=O)NCC12COC2 ZINC001333490648 885484815 /nfs/dbraw/zinc/48/48/15/885484815.db2.gz LCSOTNKDJSSMCY-LLVKDONJSA-N 1 2 288.344 -1.399 20 0 CAADLO COC[C@H]1NC(=O)N(C[C@@H]2CN(C)CC[N@@H+]2C)C1=O ZINC001333574322 885493664 /nfs/dbraw/zinc/49/36/64/885493664.db2.gz NNUZMVQEUBGAAO-VHSXEESVSA-N 1 2 270.333 -1.201 20 0 CAADLO COC[C@H]1NC(=O)N(C[C@@H]2CN(C)CC[N@H+]2C)C1=O ZINC001333574322 885493672 /nfs/dbraw/zinc/49/36/72/885493672.db2.gz NNUZMVQEUBGAAO-VHSXEESVSA-N 1 2 270.333 -1.201 20 0 CAADLO O=C1NC[C@H]2C[N@H+](C[C@H]3COCCO3)CCN2C1=O ZINC001333836622 885508598 /nfs/dbraw/zinc/50/85/98/885508598.db2.gz PSOUSSUNIRPEEE-UWVGGRQHSA-N 1 2 269.301 -1.956 20 0 CAADLO O=C1NC[C@H]2C[N@@H+](C[C@H]3COCCO3)CCN2C1=O ZINC001333836622 885508606 /nfs/dbraw/zinc/50/86/06/885508606.db2.gz PSOUSSUNIRPEEE-UWVGGRQHSA-N 1 2 269.301 -1.956 20 0 CAADLO C[C@H](NC(=O)Cc1[nH]cc[nH+]1)[C@H](C)NC(=O)C(N)=O ZINC001333950165 885514348 /nfs/dbraw/zinc/51/43/48/885514348.db2.gz GJDWUXDACBXVLF-BQBZGAKWSA-N 1 2 267.289 -1.553 20 0 CAADLO O=C(C[C@@H]1CC(=O)NC1=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC001333972285 885517058 /nfs/dbraw/zinc/51/70/58/885517058.db2.gz LKVLHPBZPQBMMX-HTQZYQBOSA-N 1 2 262.269 -1.023 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@H](NC(=O)[C@@H](O)C2CC2)C1 ZINC001334034949 885520132 /nfs/dbraw/zinc/52/01/32/885520132.db2.gz UBNFGOYJXKOQLM-ONGXEEELSA-N 1 2 255.318 -1.177 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@H](NC(=O)[C@@H](O)C2CC2)C1 ZINC001334034949 885520139 /nfs/dbraw/zinc/52/01/39/885520139.db2.gz UBNFGOYJXKOQLM-ONGXEEELSA-N 1 2 255.318 -1.177 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@H](NC(=O)[C@H](O)C2CC2)C1 ZINC001334034944 885520397 /nfs/dbraw/zinc/52/03/97/885520397.db2.gz UBNFGOYJXKOQLM-GXSJLCMTSA-N 1 2 255.318 -1.177 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@H](NC(=O)[C@H](O)C2CC2)C1 ZINC001334034944 885520409 /nfs/dbraw/zinc/52/04/09/885520409.db2.gz UBNFGOYJXKOQLM-GXSJLCMTSA-N 1 2 255.318 -1.177 20 0 CAADLO CCS(=O)(=O)CCN1C(=O)N[C@H](C[NH+](C)C)C1=O ZINC001334355024 885534622 /nfs/dbraw/zinc/53/46/22/885534622.db2.gz DQQKARNGQARADV-MRVPVSSYSA-N 1 2 277.346 -1.097 20 0 CAADLO C[C@H](CNC(=O)Cc1c[nH+]cn1C)N(C)C(=O)CC(N)=O ZINC001334417577 885544380 /nfs/dbraw/zinc/54/43/80/885544380.db2.gz DOOXROLQQLCCKN-SECBINFHSA-N 1 2 295.343 -1.199 20 0 CAADLO C[C@@H](CNC(=O)Cc1c[nH+]cn1C)N(C)C(=O)CC(N)=O ZINC001334417578 885544473 /nfs/dbraw/zinc/54/44/73/885544473.db2.gz DOOXROLQQLCCKN-VIFPVBQESA-N 1 2 295.343 -1.199 20 0 CAADLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)CN1C(=O)CNC1=O ZINC001334500013 885550685 /nfs/dbraw/zinc/55/06/85/885550685.db2.gz PEBPKCFZGRHQTE-ZJUUUORDSA-N 1 2 298.343 -1.236 20 0 CAADLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)CN1C(=O)CNC1=O ZINC001334500013 885550698 /nfs/dbraw/zinc/55/06/98/885550698.db2.gz PEBPKCFZGRHQTE-ZJUUUORDSA-N 1 2 298.343 -1.236 20 0 CAADLO O=C(C[N@H+]1C[C@@H](O)C[C@H]1CO)Nc1cccnn1 ZINC001334793928 885564154 /nfs/dbraw/zinc/56/41/54/885564154.db2.gz QRPFXMDXIJCNSX-IUCAKERBSA-N 1 2 252.274 -1.157 20 0 CAADLO O=C(C[N@@H+]1C[C@@H](O)C[C@H]1CO)Nc1cccnn1 ZINC001334793928 885564170 /nfs/dbraw/zinc/56/41/70/885564170.db2.gz QRPFXMDXIJCNSX-IUCAKERBSA-N 1 2 252.274 -1.157 20 0 CAADLO CN1CC[N@H+](CCCS(N)(=O)=O)C[C@H]1CO ZINC001335046869 885579059 /nfs/dbraw/zinc/57/90/59/885579059.db2.gz BQFXUCNFOLUUOA-VIFPVBQESA-N 1 2 251.352 -1.727 20 0 CAADLO CN1CC[N@@H+](CCCS(N)(=O)=O)C[C@H]1CO ZINC001335046869 885579069 /nfs/dbraw/zinc/57/90/69/885579069.db2.gz BQFXUCNFOLUUOA-VIFPVBQESA-N 1 2 251.352 -1.727 20 0 CAADLO O=C(CO)NCCC(=O)N[C@H]1CCn2c[nH+]cc21 ZINC001335075599 885580686 /nfs/dbraw/zinc/58/06/86/885580686.db2.gz DLEZZUFLDZJTLK-QMMMGPOBSA-N 1 2 252.274 -1.057 20 0 CAADLO COC(=O)N[C@H]1CCN(C(=O)C(=O)N2CC[NH+](C)CC2)C1 ZINC001335093585 885583712 /nfs/dbraw/zinc/58/37/12/885583712.db2.gz UNCHZOVOCYGETL-JTQLQIEISA-N 1 2 298.343 -1.283 20 0 CAADLO Cc1[nH]ncc1CNC(=O)C(=O)N(C)CCOCC[NH3+] ZINC001335241356 885599695 /nfs/dbraw/zinc/59/96/95/885599695.db2.gz YGKOWXBYJWCRHP-UHFFFAOYSA-N 1 2 283.332 -1.232 20 0 CAADLO COC[C@H](NC(=O)/C=C\C[NH+]1CCOCC1)C(N)=O ZINC001335529188 885619944 /nfs/dbraw/zinc/61/99/44/885619944.db2.gz NGQUKNHSKKYKMG-ZMWSMAPVSA-N 1 2 271.317 -1.509 20 0 CAADLO Cc1nnc(CC[N@@H+]2CCN3C(=O)C(=O)NC[C@@H]3C2)o1 ZINC001335555950 885625446 /nfs/dbraw/zinc/62/54/46/885625446.db2.gz PNFZRRXYEORHFN-SECBINFHSA-N 1 2 279.300 -1.437 20 0 CAADLO Cc1nnc(CC[N@H+]2CCN3C(=O)C(=O)NC[C@@H]3C2)o1 ZINC001335555950 885625451 /nfs/dbraw/zinc/62/54/51/885625451.db2.gz PNFZRRXYEORHFN-SECBINFHSA-N 1 2 279.300 -1.437 20 0 CAADLO C[C@@H](CCCNC(=O)C(N)=O)NC(=O)Cc1c[nH]c[nH+]1 ZINC001336392133 885659099 /nfs/dbraw/zinc/65/90/99/885659099.db2.gz CGYQDTLXXAGILY-QMMMGPOBSA-N 1 2 281.316 -1.161 20 0 CAADLO CO[C@@H](C[NH+]1CC2(C1)NC(=O)NC2=O)[C@@H]1CCOC1 ZINC001336872323 885684367 /nfs/dbraw/zinc/68/43/67/885684367.db2.gz DJDSJSXEPXANQR-BDAKNGLRSA-N 1 2 269.301 -1.068 20 0 CAADLO CO[C@@H](C[NH+]1CC2(C1)NC(=O)NC2=O)[C@H]1CCOC1 ZINC001336872325 885684678 /nfs/dbraw/zinc/68/46/78/885684678.db2.gz DJDSJSXEPXANQR-IUCAKERBSA-N 1 2 269.301 -1.068 20 0 CAADLO O=C1CNC(=O)N1CC[N@@H+]1CCC[C@@H]2OCCNC(=O)[C@@H]21 ZINC001336817820 885684986 /nfs/dbraw/zinc/68/49/86/885684986.db2.gz VBKJUSRTKFQTDP-GXSJLCMTSA-N 1 2 296.327 -1.482 20 0 CAADLO O=C1CNC(=O)N1CC[N@H+]1CCC[C@@H]2OCCNC(=O)[C@@H]21 ZINC001336817820 885684997 /nfs/dbraw/zinc/68/49/97/885684997.db2.gz VBKJUSRTKFQTDP-GXSJLCMTSA-N 1 2 296.327 -1.482 20 0 CAADLO CO[C@H](C[NH+]1CC2(C1)NC(=O)NC2=O)[C@H]1CCOC1 ZINC001336872324 885686105 /nfs/dbraw/zinc/68/61/05/885686105.db2.gz DJDSJSXEPXANQR-DTWKUNHWSA-N 1 2 269.301 -1.068 20 0 CAADLO CCNC(=O)CC(=O)NC[C@@H]1CN(C)CC[N@@H+]1C ZINC001337484043 885701413 /nfs/dbraw/zinc/70/14/13/885701413.db2.gz YQKKLPLTYOFOPS-SNVBAGLBSA-N 1 2 256.350 -1.125 20 0 CAADLO CCNC(=O)CC(=O)NC[C@@H]1CN(C)CC[N@H+]1C ZINC001337484043 885701426 /nfs/dbraw/zinc/70/14/26/885701426.db2.gz YQKKLPLTYOFOPS-SNVBAGLBSA-N 1 2 256.350 -1.125 20 0 CAADLO C[C@@H](NC(=O)[C@@H]1C[N@H+](C)CCO1)c1nnnn1C ZINC001337435877 885701800 /nfs/dbraw/zinc/70/18/00/885701800.db2.gz ZKYNGDVLRIWTSA-SFYZADRCSA-N 1 2 254.294 -1.282 20 0 CAADLO C[C@@H](NC(=O)[C@@H]1C[N@@H+](C)CCO1)c1nnnn1C ZINC001337435877 885701810 /nfs/dbraw/zinc/70/18/10/885701810.db2.gz ZKYNGDVLRIWTSA-SFYZADRCSA-N 1 2 254.294 -1.282 20 0 CAADLO C[C@@H](NC(=O)c1nnn(C)n1)[C@H]1C[N@H+](C)CCO1 ZINC001337637825 885715022 /nfs/dbraw/zinc/71/50/22/885715022.db2.gz ROOXLLNUPVSGNO-HTQZYQBOSA-N 1 2 254.294 -1.341 20 0 CAADLO C[C@@H](NC(=O)c1nnn(C)n1)[C@H]1C[N@@H+](C)CCO1 ZINC001337637825 885715039 /nfs/dbraw/zinc/71/50/39/885715039.db2.gz ROOXLLNUPVSGNO-HTQZYQBOSA-N 1 2 254.294 -1.341 20 0 CAADLO Cc1ncc(NC(=O)C(=O)N2CC[NH+](CCO)CC2)cn1 ZINC001337765163 885719166 /nfs/dbraw/zinc/71/91/66/885719166.db2.gz DQIZCQPAJACZPJ-UHFFFAOYSA-N 1 2 293.327 -1.140 20 0 CAADLO CS(=O)(=O)NCCC(=O)NCCn1cc[nH+]c1 ZINC001337826997 885720843 /nfs/dbraw/zinc/72/08/43/885720843.db2.gz IYCUHFDSMDBWQT-UHFFFAOYSA-N 1 2 260.319 -1.061 20 0 CAADLO O=C(NCCn1cc[nH+]c1)N1CCN2C(=O)NC(=O)[C@H]2C1 ZINC001337856798 885724378 /nfs/dbraw/zinc/72/43/78/885724378.db2.gz ONZYAPZCFTYXFJ-SECBINFHSA-N 1 2 292.299 -1.171 20 0 CAADLO CC(=O)N(C)C[C@H](O)CNC(=O)Cc1c[nH+]cn1C ZINC001338416468 885743024 /nfs/dbraw/zinc/74/30/24/885743024.db2.gz MAGURDCPGCAYRI-LLVKDONJSA-N 1 2 268.317 -1.082 20 0 CAADLO CN(C[C@H](O)CNC(=O)Cn1cc[nH+]c1)C(=O)CC(N)=O ZINC001338456019 885745944 /nfs/dbraw/zinc/74/59/44/885745944.db2.gz JKEAVHASLTXPRK-SECBINFHSA-N 1 2 297.315 -2.306 20 0 CAADLO C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)NCCc1nc[nH]n1 ZINC001339085424 885764110 /nfs/dbraw/zinc/76/41/10/885764110.db2.gz CYQBRKYBYQWCBW-LDYMZIIASA-N 1 2 253.306 -1.082 20 0 CAADLO C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)NCCc1nc[nH]n1 ZINC001339085424 885764126 /nfs/dbraw/zinc/76/41/26/885764126.db2.gz CYQBRKYBYQWCBW-LDYMZIIASA-N 1 2 253.306 -1.082 20 0 CAADLO C[C@H](C[NH+]1CCOCC1)NC(=O)CCn1cnnn1 ZINC001339332765 885765722 /nfs/dbraw/zinc/76/57/22/885765722.db2.gz IMYOJMUIXODCAX-SNVBAGLBSA-N 1 2 268.321 -1.100 20 0 CAADLO C[C@H](NC(=O)[C@H]1CC(=O)N1)[C@@H]1CN(C)CC[N@@H+]1C ZINC001339088510 885767109 /nfs/dbraw/zinc/76/71/09/885767109.db2.gz WGEYYNMCUNEGAA-AEJSXWLSSA-N 1 2 254.334 -1.375 20 0 CAADLO C[C@H](NC(=O)[C@H]1CC(=O)N1)[C@@H]1CN(C)CC[N@H+]1C ZINC001339088510 885767120 /nfs/dbraw/zinc/76/71/20/885767120.db2.gz WGEYYNMCUNEGAA-AEJSXWLSSA-N 1 2 254.334 -1.375 20 0 CAADLO CN(CC[NH+]1CCOCC1)c1nnc(C(N)=O)n1C ZINC001340040266 885789153 /nfs/dbraw/zinc/78/91/53/885789153.db2.gz SREHUVJVMSDFEH-UHFFFAOYSA-N 1 2 268.321 -1.318 20 0 CAADLO C[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1CN(C)C(=O)CN1 ZINC001340171068 885795773 /nfs/dbraw/zinc/79/57/73/885795773.db2.gz AGQDOXBZCOKVEH-ZJUUUORDSA-N 1 2 265.317 -1.182 20 0 CAADLO NC(=O)[C@@H]1CN(C(=O)C(=O)NCCn2cc[nH+]c2)CCO1 ZINC001340228050 885798113 /nfs/dbraw/zinc/79/81/13/885798113.db2.gz UNRGQXAMOVFFBK-VIFPVBQESA-N 1 2 295.299 -2.288 20 0 CAADLO NOCC(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001340221771 885798289 /nfs/dbraw/zinc/79/82/89/885798289.db2.gz FRHQBVZVEKMJOD-JTQLQIEISA-N 1 2 286.332 -2.074 20 0 CAADLO O=C(NCCn1cc[nH+]c1)C(=O)N1C[C@H]2C[C@@]2(CO)C1 ZINC001340228613 885798672 /nfs/dbraw/zinc/79/86/72/885798672.db2.gz ZAMCXAKHAMKQSX-MFKMUULPSA-N 1 2 278.312 -1.160 20 0 CAADLO C[C@H]([NH3+])CONC(=O)CSCC(=O)N1CCOCC1 ZINC001340458220 885802433 /nfs/dbraw/zinc/80/24/33/885802433.db2.gz ZADDITQXHAWXQR-VIFPVBQESA-N 1 2 291.373 -1.027 20 0 CAADLO C[C@H]1C[N@H+](C[C@@H](O)CO)CCN1S(C)(=O)=O ZINC001340762642 885813571 /nfs/dbraw/zinc/81/35/71/885813571.db2.gz SRRLICQXBQXBNM-DTWKUNHWSA-N 1 2 252.336 -1.695 20 0 CAADLO C[C@H]1C[N@@H+](C[C@@H](O)CO)CCN1S(C)(=O)=O ZINC001340762642 885813580 /nfs/dbraw/zinc/81/35/80/885813580.db2.gz SRRLICQXBQXBNM-DTWKUNHWSA-N 1 2 252.336 -1.695 20 0 CAADLO CN1C[C@H](C(=O)NCCc2[nH]cc[nH+]2)NCC1=O ZINC001340865998 885815872 /nfs/dbraw/zinc/81/58/72/885815872.db2.gz WINRWBUPAJDIAK-MRVPVSSYSA-N 1 2 251.290 -1.501 20 0 CAADLO O=C(CN1CC[NH2+]CC1=O)N1C[C@@H](O)C2(CC2)C1 ZINC001340887984 885819093 /nfs/dbraw/zinc/81/90/93/885819093.db2.gz IFLKQIAJCJJQOJ-SECBINFHSA-N 1 2 253.302 -1.599 20 0 CAADLO C[NH+]1CCN(C(=O)[C@]2(C(=O)[O-])C[NH2+]CCO2)CC1 ZINC001340894028 885820185 /nfs/dbraw/zinc/82/01/85/885820185.db2.gz OANGKGBXJXXSBY-NSHDSACASA-N 1 2 257.290 -1.796 20 0 CAADLO C[C@@H](C(=O)N1CC[C@@](O)(C(N)=O)C1)n1cc[nH+]c1 ZINC001341031778 885824647 /nfs/dbraw/zinc/82/46/47/885824647.db2.gz QUYAYBFKYDFGMH-KWQFWETISA-N 1 2 252.274 -1.107 20 0 CAADLO C[C@H](C(=O)N1CC[C@](O)(C(N)=O)C1)n1cc[nH+]c1 ZINC001341031779 885825249 /nfs/dbraw/zinc/82/52/49/885825249.db2.gz QUYAYBFKYDFGMH-LDYMZIIASA-N 1 2 252.274 -1.107 20 0 CAADLO O=C1CC[C@@H]2C[N@H+](CCN3C(=O)CNC3=O)CCN12 ZINC001341423265 885837613 /nfs/dbraw/zinc/83/76/13/885837613.db2.gz DURRLVANVXLOEM-SECBINFHSA-N 1 2 266.301 -1.155 20 0 CAADLO O=C1CC[C@@H]2C[N@@H+](CCN3C(=O)CNC3=O)CCN12 ZINC001341423265 885837619 /nfs/dbraw/zinc/83/76/19/885837619.db2.gz DURRLVANVXLOEM-SECBINFHSA-N 1 2 266.301 -1.155 20 0 CAADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)c1cn[nH]n1 ZINC001341390192 885838285 /nfs/dbraw/zinc/83/82/85/885838285.db2.gz FLWLBBLVANWPCJ-SECBINFHSA-N 1 2 269.305 -1.430 20 0 CAADLO O=C(CN1CC[NH2+]CC1=O)N[C@@H]1COC[C@@H]1C1CC1 ZINC001341500222 885841473 /nfs/dbraw/zinc/84/14/73/885841473.db2.gz SSBBQTFKJOZXBW-GHMZBOCLSA-N 1 2 267.329 -1.041 20 0 CAADLO Cc1[nH+]c[nH]c1CNC(=O)Cn1ncn(C)c1=O ZINC001341947134 885863843 /nfs/dbraw/zinc/86/38/43/885863843.db2.gz WSUSBCNLGKKEHO-UHFFFAOYSA-N 1 2 250.262 -1.070 20 0 CAADLO O=C1CNC(=O)N1CC[N@@H+]1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC001341945296 885863884 /nfs/dbraw/zinc/86/38/84/885863884.db2.gz MIYABBWEZKIYPC-ZETCQYMHSA-N 1 2 281.272 -2.226 20 0 CAADLO O=C1CNC(=O)N1CC[N@H+]1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC001341945296 885863897 /nfs/dbraw/zinc/86/38/97/885863897.db2.gz MIYABBWEZKIYPC-ZETCQYMHSA-N 1 2 281.272 -2.226 20 0 CAADLO CCOCCOCCNC(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC001341970133 885865815 /nfs/dbraw/zinc/86/58/15/885865815.db2.gz PBPZPCJLBQVJJR-NSHDSACASA-N 1 2 287.360 -1.024 20 0 CAADLO COC(C[N@@H+]1CCN2[C@@H](CNS2(=O)=O)C1)OC ZINC001342117242 885871214 /nfs/dbraw/zinc/87/12/14/885871214.db2.gz JWFBSXFPYXLJQD-QMMMGPOBSA-N 1 2 265.335 -1.561 20 0 CAADLO COC(C[N@H+]1CCN2[C@@H](CNS2(=O)=O)C1)OC ZINC001342117242 885871220 /nfs/dbraw/zinc/87/12/20/885871220.db2.gz JWFBSXFPYXLJQD-QMMMGPOBSA-N 1 2 265.335 -1.561 20 0 CAADLO CC(C)[C@H](CNC(=O)CN1CC[NH2+]CC1=O)ON ZINC001343684820 885924407 /nfs/dbraw/zinc/92/44/07/885924407.db2.gz AOJVJTXOCMXOTN-VIFPVBQESA-N 1 2 258.322 -1.551 20 0 CAADLO Cn1c[nH+]cc1CC(=O)NCCCN1CCNC(=O)C1 ZINC001342468725 885888908 /nfs/dbraw/zinc/88/89/08/885888908.db2.gz FQNFKLMPOCCVDP-UHFFFAOYSA-N 1 2 279.344 -1.099 20 0 CAADLO Cn1nncc1S(=O)(=O)NCCn1cc[nH+]c1 ZINC001343658480 885920264 /nfs/dbraw/zinc/92/02/64/885920264.db2.gz RSEICUSRMWGLHC-UHFFFAOYSA-N 1 2 256.291 -1.010 20 0 CAADLO CN(C)C(=O)CNC(=O)C(=O)N1CCn2c[nH+]cc2C1 ZINC001343531506 885921301 /nfs/dbraw/zinc/92/13/01/885921301.db2.gz AZBWSVBJDDYXED-UHFFFAOYSA-N 1 2 279.300 -1.570 20 0 CAADLO CN(C[C@@H]1CCN1C(=O)C(N)=O)C(=O)Cc1c[nH+]cn1C ZINC001344173079 885937786 /nfs/dbraw/zinc/93/77/86/885937786.db2.gz LQOHCHPEOQPGIL-VIFPVBQESA-N 1 2 293.327 -1.493 20 0 CAADLO NC(=O)C(=O)NC[C@H]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001344315680 885940500 /nfs/dbraw/zinc/94/05/00/885940500.db2.gz RVGYIJCIVOGGJG-DTWKUNHWSA-N 1 2 293.327 -1.161 20 0 CAADLO NC(=O)C(=O)N[C@@H]1CC[C@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001344326953 885942062 /nfs/dbraw/zinc/94/20/62/885942062.db2.gz ZXJYZCHCTCAHMB-DTWKUNHWSA-N 1 2 293.327 -1.161 20 0 CAADLO COC(=O)[C@H]1CCN(C(=O)C(=O)N2CC[NH+](C)CC2)C1 ZINC001344709144 885947574 /nfs/dbraw/zinc/94/75/74/885947574.db2.gz XGWDLYWPVXBCJQ-JTQLQIEISA-N 1 2 283.328 -1.218 20 0 CAADLO CC(=O)NCCCNC(=O)C(=O)NCCn1cc[nH+]c1 ZINC001344841534 885952396 /nfs/dbraw/zinc/95/23/96/885952396.db2.gz HFIAZPBNUGXYRC-UHFFFAOYSA-N 1 2 281.316 -1.358 20 0 CAADLO NC(=O)c1ncn(CC(=O)OCCn2cc[nH+]c2)n1 ZINC001344836197 885953055 /nfs/dbraw/zinc/95/30/55/885953055.db2.gz HDZMGMNVYQOHDB-UHFFFAOYSA-N 1 2 264.245 -1.183 20 0 CAADLO C[C@H]1CCN1C(=O)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC001345750872 885969261 /nfs/dbraw/zinc/96/92/61/885969261.db2.gz GPNUWEUFJSIHNO-RYUDHWBXSA-N 1 2 299.371 -1.241 20 0 CAADLO C[C@@H]1CCN1C(=O)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC001345750873 885970599 /nfs/dbraw/zinc/97/05/99/885970599.db2.gz GPNUWEUFJSIHNO-VXGBXAGGSA-N 1 2 299.371 -1.241 20 0 CAADLO C[C@@H](CNC(=O)CN1C(=O)CCC1=O)[NH+]1CCN(C)CC1 ZINC001346329659 886000426 /nfs/dbraw/zinc/00/04/26/886000426.db2.gz QHDFWHXLJUGQPN-NSHDSACASA-N 1 2 296.371 -1.113 20 0 CAADLO OC[C@H](O)Cn1cc(CC[NH+]2CCOCC2)nn1 ZINC001346588251 886012804 /nfs/dbraw/zinc/01/28/04/886012804.db2.gz DLIKMJHGHCHGIQ-LLVKDONJSA-N 1 2 256.306 -1.494 20 0 CAADLO CN(CC[NH+]1CCOCC1)C(=O)N[C@H]1CNOC1 ZINC001346608533 886013334 /nfs/dbraw/zinc/01/33/34/886013334.db2.gz CHDVMJVFMQGIIE-JTQLQIEISA-N 1 2 258.322 -1.137 20 0 CAADLO C[C@H]1CN2CC[N@@H+]1C[C@H]2C(=O)NCc1n[nH]c(=O)[nH]1 ZINC001346871529 886019304 /nfs/dbraw/zinc/01/93/04/886019304.db2.gz QWISOYUHAFLAIK-YUMQZZPRSA-N 1 2 266.305 -1.485 20 0 CAADLO C[C@H]1CN2CC[N@H+]1C[C@H]2C(=O)NCc1n[nH]c(=O)[nH]1 ZINC001346871529 886019311 /nfs/dbraw/zinc/01/93/11/886019311.db2.gz QWISOYUHAFLAIK-YUMQZZPRSA-N 1 2 266.305 -1.485 20 0 CAADLO C[NH+]1CCN(C(=O)C(=O)N2CC[C@@]3(O)C[C@H]3C2)CC1 ZINC001347015701 886023663 /nfs/dbraw/zinc/02/36/63/886023663.db2.gz NJRGQJVEWBKXMT-GXFFZTMASA-N 1 2 267.329 -1.256 20 0 CAADLO CCOC(=O)[C@@H](N)C(=O)N[C@H]1CCC[N@H+](CC(N)=O)C1 ZINC001347157185 886029605 /nfs/dbraw/zinc/02/96/05/886029605.db2.gz IGWYNJONVTYHPC-WPRPVWTQSA-N 1 2 286.332 -2.057 20 0 CAADLO CC[NH+]1CCN(C(=O)C(=O)NC2CN(C(=O)OC)C2)CC1 ZINC001347267301 886032843 /nfs/dbraw/zinc/03/28/43/886032843.db2.gz AMFWMZVPRLULFP-UHFFFAOYSA-N 1 2 298.343 -1.283 20 0 CAADLO C[C@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N(C)c1nn[nH]n1 ZINC001347324691 886037797 /nfs/dbraw/zinc/03/77/97/886037797.db2.gz BJMPOTMNYGVIMV-JGVFFNPUSA-N 1 2 251.294 -1.449 20 0 CAADLO C[C@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N(C)c1nn[nH]n1 ZINC001347324691 886037807 /nfs/dbraw/zinc/03/78/07/886037807.db2.gz BJMPOTMNYGVIMV-JGVFFNPUSA-N 1 2 251.294 -1.449 20 0 CAADLO O=C(NCCn1cc[nH+]c1)C(=O)N[C@H]1CCNC1=O ZINC001347411537 886039500 /nfs/dbraw/zinc/03/95/00/886039500.db2.gz QGSXGAACECDGAA-QMMMGPOBSA-N 1 2 265.273 -1.996 20 0 CAADLO C[N@@H+]1CCO[C@@H](C(=O)Nc2n[nH]cc2C(N)=O)C1 ZINC001347523974 886043589 /nfs/dbraw/zinc/04/35/89/886043589.db2.gz SBRGXJDCCAOGHF-SSDOTTSWSA-N 1 2 253.262 -1.222 20 0 CAADLO C[N@H+]1CCO[C@@H](C(=O)Nc2n[nH]cc2C(N)=O)C1 ZINC001347523974 886043605 /nfs/dbraw/zinc/04/36/05/886043605.db2.gz SBRGXJDCCAOGHF-SSDOTTSWSA-N 1 2 253.262 -1.222 20 0 CAADLO O=C(CNC(=O)[C@H]1CCc2c[nH+]cn2C1)NCCO ZINC001347677562 886048955 /nfs/dbraw/zinc/04/89/55/886048955.db2.gz FLTCAWGEUPRCPH-VIFPVBQESA-N 1 2 266.301 -1.330 20 0 CAADLO CC(=O)N1CC[C@@H](NC(=O)C(=O)NCCn2cc[nH+]c2)C1 ZINC001347940380 886059092 /nfs/dbraw/zinc/05/90/92/886059092.db2.gz NINDKKYHRHZBPJ-LLVKDONJSA-N 1 2 293.327 -1.264 20 0 CAADLO Cc1ncncc1NC(=O)C(=O)N1CC[NH+](CCO)CC1 ZINC001348194870 886065504 /nfs/dbraw/zinc/06/55/04/886065504.db2.gz HVCLAKPJHZSWLL-UHFFFAOYSA-N 1 2 293.327 -1.140 20 0 CAADLO Cn1cc[nH+]c1CCNC(=O)[C@@H]1OCCN(C)C1=O ZINC001348267193 886068589 /nfs/dbraw/zinc/06/85/89/886068589.db2.gz VTIXYKKXLDVOJD-JTQLQIEISA-N 1 2 266.301 -1.064 20 0 CAADLO CC(=O)NCC(=O)NCCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001348346285 886075826 /nfs/dbraw/zinc/07/58/26/886075826.db2.gz AWYLGMKKASCBRJ-VIFPVBQESA-N 1 2 295.343 -1.043 20 0 CAADLO CC(=O)NCC(=O)NCCNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001348346285 886075842 /nfs/dbraw/zinc/07/58/42/886075842.db2.gz AWYLGMKKASCBRJ-VIFPVBQESA-N 1 2 295.343 -1.043 20 0 CAADLO CS(=O)(=O)CC(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC001348395902 886078980 /nfs/dbraw/zinc/07/89/80/886078980.db2.gz DITVVGXYLAAMBJ-VIFPVBQESA-N 1 2 291.373 -1.513 20 0 CAADLO O=C(Cc1[nH]cc[nH+]1)NCCNC(=O)Cn1cnnn1 ZINC001348430856 886082094 /nfs/dbraw/zinc/08/20/94/886082094.db2.gz HCSNXDXSLBLMKF-UHFFFAOYSA-N 1 2 278.276 -2.129 20 0 CAADLO C[NH+]1CCN(C(=O)C(=O)N2CCNC(=O)CC2)CC1 ZINC001348491316 886088094 /nfs/dbraw/zinc/08/80/94/886088094.db2.gz ZMUOOEVGLQNSSU-UHFFFAOYSA-N 1 2 268.317 -1.891 20 0 CAADLO O=C(/C=C\C[NH+]1CCOCC1)NCC(=O)NCCO ZINC001348559145 886090736 /nfs/dbraw/zinc/09/07/36/886090736.db2.gz CLNVGJYMUYLDSN-UPHRSURJSA-N 1 2 271.317 -1.901 20 0 CAADLO NC(=O)COCCNC(=O)/C=C/C[NH+]1CCOCC1 ZINC001348561940 886091939 /nfs/dbraw/zinc/09/19/39/886091939.db2.gz UIVPSOPYTHTHOG-OWOJBTEDSA-N 1 2 271.317 -1.507 20 0 CAADLO O=C(CCc1[nH]cc[nH+]1)NCCNC(=O)[C@H]1CCC(=O)N1 ZINC001348636527 886095096 /nfs/dbraw/zinc/09/50/96/886095096.db2.gz JCLDMGYLHNCFJY-SECBINFHSA-N 1 2 293.327 -1.147 20 0 CAADLO Cn1c[nH+]cc1CNC(=O)NCCS(N)(=O)=O ZINC001348618608 886095875 /nfs/dbraw/zinc/09/58/75/886095875.db2.gz UPRUPVNXEBYMGK-UHFFFAOYSA-N 1 2 261.307 -1.492 20 0 CAADLO O=C(CCn1ccnn1)NCCNC(=O)Cn1cc[nH+]c1 ZINC001348864904 886103211 /nfs/dbraw/zinc/10/32/11/886103211.db2.gz XUIZYWNNRJSMHO-UHFFFAOYSA-N 1 2 291.315 -1.203 20 0 CAADLO O=C(Cc1c[nH]c[nH+]1)NCCNC(=O)[C@@H]1COC(=O)N1 ZINC001348895786 886105466 /nfs/dbraw/zinc/10/54/66/886105466.db2.gz ZNFCWZGQXRHFEJ-QMMMGPOBSA-N 1 2 281.272 -1.707 20 0 CAADLO C[N@@H+]1CCN(C(=O)c2cnn(CCO)c2)[C@@H](CO)C1 ZINC001348887301 886105967 /nfs/dbraw/zinc/10/59/67/886105967.db2.gz HYDZZNJNZKULGE-LLVKDONJSA-N 1 2 268.317 -1.376 20 0 CAADLO C[N@H+]1CCN(C(=O)c2cnn(CCO)c2)[C@@H](CO)C1 ZINC001348887301 886105976 /nfs/dbraw/zinc/10/59/76/886105976.db2.gz HYDZZNJNZKULGE-LLVKDONJSA-N 1 2 268.317 -1.376 20 0 CAADLO O=C(CCc1c[nH]c[nH+]1)NCCNC(=O)[C@H]1COC(=O)N1 ZINC001348891871 886106262 /nfs/dbraw/zinc/10/62/62/886106262.db2.gz CYIBSELQJXXSAJ-SECBINFHSA-N 1 2 295.299 -1.317 20 0 CAADLO O=C(CCc1c[nH+]c[nH]1)NCCNC(=O)[C@H]1COC(=O)N1 ZINC001348891871 886106268 /nfs/dbraw/zinc/10/62/68/886106268.db2.gz CYIBSELQJXXSAJ-SECBINFHSA-N 1 2 295.299 -1.317 20 0 CAADLO Cn1cnc(C(=O)NCCNC(=O)Cc2c[nH+]cn2C)n1 ZINC001348907518 886106891 /nfs/dbraw/zinc/10/68/91/886106891.db2.gz VYDAJMBOTJXYNA-UHFFFAOYSA-N 1 2 291.315 -1.363 20 0 CAADLO Cc1[nH+]ccn1CC(=O)NCCNC(=O)c1cn[nH]n1 ZINC001349031289 886112514 /nfs/dbraw/zinc/11/25/14/886112514.db2.gz ILPQZDWRHALWQX-UHFFFAOYSA-N 1 2 277.288 -1.144 20 0 CAADLO Cc1[nH+]ccn1CC(=O)NCCNC(=O)c1cnn[nH]1 ZINC001349031289 886112521 /nfs/dbraw/zinc/11/25/21/886112521.db2.gz ILPQZDWRHALWQX-UHFFFAOYSA-N 1 2 277.288 -1.144 20 0 CAADLO C[S@](=O)CC[N@@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC001349082720 886113032 /nfs/dbraw/zinc/11/30/32/886113032.db2.gz YRYQBWBGLJLUGS-RTHLEPHNSA-N 1 2 254.377 -1.012 20 0 CAADLO C[S@](=O)CC[N@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC001349082720 886113035 /nfs/dbraw/zinc/11/30/35/886113035.db2.gz YRYQBWBGLJLUGS-RTHLEPHNSA-N 1 2 254.377 -1.012 20 0 CAADLO NC(=O)[C@@H]1C[C@@H]1C(=O)NCCNC(=O)CCc1c[nH]c[nH+]1 ZINC001349202854 886118953 /nfs/dbraw/zinc/11/89/53/886118953.db2.gz SETAOEGZCVPHSN-ZJUUUORDSA-N 1 2 293.327 -1.304 20 0 CAADLO NC(=O)[C@@H]1C[C@@H]1C(=O)NCCNC(=O)CCc1c[nH+]c[nH]1 ZINC001349202854 886118955 /nfs/dbraw/zinc/11/89/55/886118955.db2.gz SETAOEGZCVPHSN-ZJUUUORDSA-N 1 2 293.327 -1.304 20 0 CAADLO Cn1c(C(=O)NCCNC(=O)Cn2cc[nH+]c2)c[nH]c1=O ZINC001349262247 886119383 /nfs/dbraw/zinc/11/93/83/886119383.db2.gz PRVDMQKDOPBLOQ-UHFFFAOYSA-N 1 2 292.299 -1.132 20 0 CAADLO CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)C(=O)NCC1CC1 ZINC001349389993 886125935 /nfs/dbraw/zinc/12/59/35/886125935.db2.gz QEXBPXCMKDDANE-SNVBAGLBSA-N 1 2 283.328 -1.124 20 0 CAADLO CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCC1CC1 ZINC001349389992 886126227 /nfs/dbraw/zinc/12/62/27/886126227.db2.gz QEXBPXCMKDDANE-JTQLQIEISA-N 1 2 283.328 -1.124 20 0 CAADLO CC(=O)NCCN(C)C(=O)C(=O)N1CCn2c[nH+]cc2C1 ZINC001349358303 886126098 /nfs/dbraw/zinc/12/60/98/886126098.db2.gz XQDBYRUJKXJKNA-UHFFFAOYSA-N 1 2 293.327 -1.180 20 0 CAADLO CN1C(=O)CC[C@H]1C(=O)NCCNC(=O)Cc1c[nH]c[nH+]1 ZINC001349482044 886131226 /nfs/dbraw/zinc/13/12/26/886131226.db2.gz FVPGOVHLTAHQMJ-JTQLQIEISA-N 1 2 293.327 -1.195 20 0 CAADLO C[C@@]1(C(=O)NCCNC(=O)Cc2[nH]cc[nH+]2)CCC(=O)N1 ZINC001349516077 886131733 /nfs/dbraw/zinc/13/17/33/886131733.db2.gz YJKIVAZSSRLNCH-ZDUSSCGKSA-N 1 2 293.327 -1.147 20 0 CAADLO O=C1CN(CC[N@@H+]2CCCNC(=O)C2)CCCN1 ZINC001349658723 886141366 /nfs/dbraw/zinc/14/13/66/886141366.db2.gz PBBJSGVNUWBTTC-UHFFFAOYSA-N 1 2 254.334 -1.370 20 0 CAADLO O=C1CN(CC[N@H+]2CCCNC(=O)C2)CCCN1 ZINC001349658723 886141368 /nfs/dbraw/zinc/14/13/68/886141368.db2.gz PBBJSGVNUWBTTC-UHFFFAOYSA-N 1 2 254.334 -1.370 20 0 CAADLO O=C1CNC(=O)N1CC[N@@H+]1CCO[C@@H](Cn2ccnn2)C1 ZINC001349672924 886144340 /nfs/dbraw/zinc/14/43/40/886144340.db2.gz IWTCFMGZEVARFN-SNVBAGLBSA-N 1 2 294.315 -1.469 20 0 CAADLO O=C1CNC(=O)N1CC[N@H+]1CCO[C@@H](Cn2ccnn2)C1 ZINC001349672924 886144353 /nfs/dbraw/zinc/14/43/53/886144353.db2.gz IWTCFMGZEVARFN-SNVBAGLBSA-N 1 2 294.315 -1.469 20 0 CAADLO NC(=O)[C@@]1([NH2+]CC(=O)Nc2ccon2)CCOC1 ZINC001349770813 886147301 /nfs/dbraw/zinc/14/73/01/886147301.db2.gz DHTVOWLOCDZGQD-SNVBAGLBSA-N 1 2 254.246 -1.153 20 0 CAADLO Cn1ccnc(N2CC3(C2)CC(=O)NCC[NH2+]3)c1=O ZINC001349772433 886147954 /nfs/dbraw/zinc/14/79/54/886147954.db2.gz CWGJXANCGAUIBV-UHFFFAOYSA-N 1 2 263.301 -1.551 20 0 CAADLO C[C@H](NC(N)=O)C(=O)NCCCNC(=O)Cn1cc[nH+]c1 ZINC001349944821 886154801 /nfs/dbraw/zinc/15/48/01/886154801.db2.gz ZDMLUZMMKBHJMN-VIFPVBQESA-N 1 2 296.331 -1.438 20 0 CAADLO C[NH+](C)CC(=O)N1CC[NH+](C[C@H]2CNC(=O)C2)CC1 ZINC001350357393 886166351 /nfs/dbraw/zinc/16/63/51/886166351.db2.gz CXJJMMHWTNOUMH-LLVKDONJSA-N 1 2 268.361 -1.172 20 0 CAADLO C[NH+](C)CC(=O)N1CCN(C[C@H]2CNC(=O)C2)CC1 ZINC001350357393 886166363 /nfs/dbraw/zinc/16/63/63/886166363.db2.gz CXJJMMHWTNOUMH-LLVKDONJSA-N 1 2 268.361 -1.172 20 0 CAADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@H]1COC(=O)N1 ZINC001350578512 886177087 /nfs/dbraw/zinc/17/70/87/886177087.db2.gz FQVMIYBLWMBBOX-RKDXNWHRSA-N 1 2 257.290 -1.068 20 0 CAADLO C[C@@H]1COCC[N@H+]1CCNC(=O)[C@H]1COC(=O)N1 ZINC001350578512 886177091 /nfs/dbraw/zinc/17/70/91/886177091.db2.gz FQVMIYBLWMBBOX-RKDXNWHRSA-N 1 2 257.290 -1.068 20 0 CAADLO C/C=C/[C@H](O)C(=O)N[C@@H]1CCC[N@H+](CC(N)=O)C1 ZINC001350585417 886178732 /nfs/dbraw/zinc/17/87/32/886178732.db2.gz KIEVREYYVCPUSY-WMSLEYKJSA-N 1 2 255.318 -1.011 20 0 CAADLO C/C=C/[C@H](O)C(=O)N[C@@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001350585417 886178738 /nfs/dbraw/zinc/17/87/38/886178738.db2.gz KIEVREYYVCPUSY-WMSLEYKJSA-N 1 2 255.318 -1.011 20 0 CAADLO CN(C(=O)CC(N)=O)[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001350733616 886184049 /nfs/dbraw/zinc/18/40/49/886184049.db2.gz VRYHYIMJNLYDDE-SECBINFHSA-N 1 2 293.327 -1.113 20 0 CAADLO C[N@@H+]1CCN(C(=O)CCc2nnc[nH]2)[C@H](CO)C1 ZINC001350824725 886186580 /nfs/dbraw/zinc/18/65/80/886186580.db2.gz LKYKPINIUTVDNE-VIFPVBQESA-N 1 2 253.306 -1.128 20 0 CAADLO C[N@H+]1CCN(C(=O)CCc2nnc[nH]2)[C@H](CO)C1 ZINC001350824725 886186582 /nfs/dbraw/zinc/18/65/82/886186582.db2.gz LKYKPINIUTVDNE-VIFPVBQESA-N 1 2 253.306 -1.128 20 0 CAADLO NC(=O)CC(=O)N[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001351091322 886198367 /nfs/dbraw/zinc/19/83/67/886198367.db2.gz BMVHPEZSYFFPIM-JTQLQIEISA-N 1 2 293.327 -1.134 20 0 CAADLO CCN(CCC(=O)NC)C(=O)C(=O)NCCn1cc[nH+]c1 ZINC001351089859 886198580 /nfs/dbraw/zinc/19/85/80/886198580.db2.gz HZBNZEZZQLSXFR-UHFFFAOYSA-N 1 2 295.343 -1.016 20 0 CAADLO COCC[N@H+](C[C@H](O)CO)[C@H]1CCS(=O)(=O)C1 ZINC001351155034 886198860 /nfs/dbraw/zinc/19/88/60/886198860.db2.gz KNQRTWXDPHIREZ-UWVGGRQHSA-N 1 2 267.347 -1.525 20 0 CAADLO COCC[N@@H+](C[C@H](O)CO)[C@H]1CCS(=O)(=O)C1 ZINC001351155034 886198865 /nfs/dbraw/zinc/19/88/65/886198865.db2.gz KNQRTWXDPHIREZ-UWVGGRQHSA-N 1 2 267.347 -1.525 20 0 CAADLO C[N@@H+]1CC[C@H]1CNC(=O)C(=O)NCC[S@@](C)=O ZINC001351250397 886202608 /nfs/dbraw/zinc/20/26/08/886202608.db2.gz RFJSIOZETPGLNK-WNWIJWBNSA-N 1 2 261.347 -1.699 20 0 CAADLO C[N@H+]1CC[C@H]1CNC(=O)C(=O)NCC[S@@](C)=O ZINC001351250397 886202628 /nfs/dbraw/zinc/20/26/28/886202628.db2.gz RFJSIOZETPGLNK-WNWIJWBNSA-N 1 2 261.347 -1.699 20 0 CAADLO CN(CCCNC(=O)CC(N)=O)C(=O)Cc1[nH]cc[nH+]1 ZINC001351334756 886203778 /nfs/dbraw/zinc/20/37/78/886203778.db2.gz BQJZHMWNEBMPBJ-UHFFFAOYSA-N 1 2 281.316 -1.208 20 0 CAADLO C[N@@H+]1CC[C@@H]1CNC(=O)C(=O)NCC[S@](C)=O ZINC001351250396 886204456 /nfs/dbraw/zinc/20/44/56/886204456.db2.gz RFJSIOZETPGLNK-RBHXEPJQSA-N 1 2 261.347 -1.699 20 0 CAADLO C[N@H+]1CC[C@@H]1CNC(=O)C(=O)NCC[S@](C)=O ZINC001351250396 886204479 /nfs/dbraw/zinc/20/44/79/886204479.db2.gz RFJSIOZETPGLNK-RBHXEPJQSA-N 1 2 261.347 -1.699 20 0 CAADLO CNC(=O)[C@@H]1C[N@H+](CCc2cn(C)nn2)CCO1 ZINC001351382299 886208667 /nfs/dbraw/zinc/20/86/67/886208667.db2.gz ULYJXLUFCUOIKM-JTQLQIEISA-N 1 2 253.306 -1.196 20 0 CAADLO CNC(=O)[C@@H]1C[N@@H+](CCc2cn(C)nn2)CCO1 ZINC001351382299 886208679 /nfs/dbraw/zinc/20/86/79/886208679.db2.gz ULYJXLUFCUOIKM-JTQLQIEISA-N 1 2 253.306 -1.196 20 0 CAADLO C[C@@H](C(N)=O)[NH+]1CCC(NS(N)(=O)=O)CC1 ZINC001351486742 886208715 /nfs/dbraw/zinc/20/87/15/886208715.db2.gz HZRKCKHFEJIITA-LURJTMIESA-N 1 2 250.324 -1.882 20 0 CAADLO NC(=O)C[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)CCO1 ZINC001351488171 886208746 /nfs/dbraw/zinc/20/87/46/886208746.db2.gz VESJGVAHOMDYFB-MRVPVSSYSA-N 1 2 270.289 -1.886 20 0 CAADLO NC(=O)C[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)CCO1 ZINC001351488171 886208762 /nfs/dbraw/zinc/20/87/62/886208762.db2.gz VESJGVAHOMDYFB-MRVPVSSYSA-N 1 2 270.289 -1.886 20 0 CAADLO Cn1cc(C[N@@H+]2CC[C@H](CS(N)(=O)=O)C2)nn1 ZINC001351665495 886222150 /nfs/dbraw/zinc/22/21/50/886222150.db2.gz SMCLMUWEJDZUGQ-QMMMGPOBSA-N 1 2 259.335 -1.075 20 0 CAADLO Cn1cc(C[N@H+]2CC[C@H](CS(N)(=O)=O)C2)nn1 ZINC001351665495 886222167 /nfs/dbraw/zinc/22/21/67/886222167.db2.gz SMCLMUWEJDZUGQ-QMMMGPOBSA-N 1 2 259.335 -1.075 20 0 CAADLO Cn1cc(C[N@@H+]2CC[C@@H](CS(N)(=O)=O)C2)nn1 ZINC001351665494 886224899 /nfs/dbraw/zinc/22/48/99/886224899.db2.gz SMCLMUWEJDZUGQ-MRVPVSSYSA-N 1 2 259.335 -1.075 20 0 CAADLO Cn1cc(C[N@H+]2CC[C@@H](CS(N)(=O)=O)C2)nn1 ZINC001351665494 886224912 /nfs/dbraw/zinc/22/49/12/886224912.db2.gz SMCLMUWEJDZUGQ-MRVPVSSYSA-N 1 2 259.335 -1.075 20 0 CAADLO C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NN1CC(=O)N(C)C1=O ZINC001351720444 886227437 /nfs/dbraw/zinc/22/74/37/886227437.db2.gz PKHJDOXZLWYJDS-RKDXNWHRSA-N 1 2 281.316 -1.700 20 0 CAADLO C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NN1CC(=O)N(C)C1=O ZINC001351720444 886227458 /nfs/dbraw/zinc/22/74/58/886227458.db2.gz PKHJDOXZLWYJDS-RKDXNWHRSA-N 1 2 281.316 -1.700 20 0 CAADLO C[C@@H](C(=O)NC[C@H](O)CS(C)(=O)=O)[NH+](C)C ZINC001351800746 886228293 /nfs/dbraw/zinc/22/82/93/886228293.db2.gz KMZQDAZDYZTXGD-YUMQZZPRSA-N 1 2 252.336 -1.542 20 0 CAADLO O=C([C@@H]1CC(=O)N1)N1CCO[C@H](C[NH+]2CCOCC2)C1 ZINC001352019419 886237179 /nfs/dbraw/zinc/23/71/79/886237179.db2.gz GFLBBPOQZCITFN-MNOVXSKESA-N 1 2 283.328 -1.566 20 0 CAADLO CC[C@H]1COCC[N@@H+]1CCNC(=O)Cn1ncnn1 ZINC001352646698 886242927 /nfs/dbraw/zinc/24/29/27/886242927.db2.gz HCDBHWRSTAKGOF-JTQLQIEISA-N 1 2 268.321 -1.100 20 0 CAADLO CC[C@H]1COCC[N@H+]1CCNC(=O)Cn1ncnn1 ZINC001352646698 886242943 /nfs/dbraw/zinc/24/29/43/886242943.db2.gz HCDBHWRSTAKGOF-JTQLQIEISA-N 1 2 268.321 -1.100 20 0 CAADLO CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)[C@H]1OCCN(C)C1=O ZINC001353002683 886255912 /nfs/dbraw/zinc/25/59/12/886255912.db2.gz ADVVSWJUQLZRES-ZJUUUORDSA-N 1 2 299.327 -1.793 20 0 CAADLO NC(=O)CC(=O)NC[C@@H](NC(=O)Cn1cc[nH+]c1)C1CC1 ZINC001353076680 886259211 /nfs/dbraw/zinc/25/92/11/886259211.db2.gz PFJQZVOXTMKNLO-SNVBAGLBSA-N 1 2 293.327 -1.231 20 0 CAADLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H](CNC(=O)C(N)=O)C1CC1 ZINC001353192353 886266707 /nfs/dbraw/zinc/26/67/07/886266707.db2.gz GQYJRBSVKGGUEZ-JTQLQIEISA-N 1 2 293.327 -1.243 20 0 CAADLO Cc1[nH+]c[nH]c1CC(=O)N[C@H](CNC(=O)C(N)=O)C1CC1 ZINC001353192354 886267743 /nfs/dbraw/zinc/26/77/43/886267743.db2.gz GQYJRBSVKGGUEZ-SNVBAGLBSA-N 1 2 293.327 -1.243 20 0 CAADLO CC[N@@H+]1CCO[C@@H](C(=O)OCCn2cnnn2)C1 ZINC001353227363 886269693 /nfs/dbraw/zinc/26/96/93/886269693.db2.gz AIEQUBXPVXDQKK-SECBINFHSA-N 1 2 255.278 -1.063 20 0 CAADLO CC[N@H+]1CCO[C@@H](C(=O)OCCn2cnnn2)C1 ZINC001353227363 886269714 /nfs/dbraw/zinc/26/97/14/886269714.db2.gz AIEQUBXPVXDQKK-SECBINFHSA-N 1 2 255.278 -1.063 20 0 CAADLO C[C@H](NC(=O)Cn1cnnn1)[C@@H]1CN(C)CC[N@@H+]1C ZINC001353888471 886292658 /nfs/dbraw/zinc/29/26/58/886292658.db2.gz VGZGOMQZSSPDKC-UWVGGRQHSA-N 1 2 267.337 -1.576 20 0 CAADLO C[C@H](NC(=O)Cn1cnnn1)[C@@H]1CN(C)CC[N@H+]1C ZINC001353888471 886292678 /nfs/dbraw/zinc/29/26/78/886292678.db2.gz VGZGOMQZSSPDKC-UWVGGRQHSA-N 1 2 267.337 -1.576 20 0 CAADLO C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)NCCCS(C)(=O)=O ZINC001353876064 886292743 /nfs/dbraw/zinc/29/27/43/886292743.db2.gz KRLJJIVULSJJDC-MWLCHTKSSA-N 1 2 278.374 -1.008 20 0 CAADLO C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)NCCCS(C)(=O)=O ZINC001353876064 886292767 /nfs/dbraw/zinc/29/27/67/886292767.db2.gz KRLJJIVULSJJDC-MWLCHTKSSA-N 1 2 278.374 -1.008 20 0 CAADLO CN1CCC[C@@H](C(=O)N[C@H]2CCC[N@H+](CC(N)=O)C2)C1=O ZINC001353888836 886292890 /nfs/dbraw/zinc/29/28/90/886292890.db2.gz XTAGNSQMJKYNLX-QWRGUYRKSA-N 1 2 296.371 -1.079 20 0 CAADLO CN1CCC[C@@H](C(=O)N[C@H]2CCC[N@@H+](CC(N)=O)C2)C1=O ZINC001353888836 886292911 /nfs/dbraw/zinc/29/29/11/886292911.db2.gz XTAGNSQMJKYNLX-QWRGUYRKSA-N 1 2 296.371 -1.079 20 0 CAADLO C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)NCCCS(C)(=O)=O ZINC001353876063 886293154 /nfs/dbraw/zinc/29/31/54/886293154.db2.gz KRLJJIVULSJJDC-KOLCDFICSA-N 1 2 278.374 -1.008 20 0 CAADLO C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)NCCCS(C)(=O)=O ZINC001353876063 886293172 /nfs/dbraw/zinc/29/31/72/886293172.db2.gz KRLJJIVULSJJDC-KOLCDFICSA-N 1 2 278.374 -1.008 20 0 CAADLO CN1CC[N@H+](C)CC(C(=O)NCc2nn[nH]n2)C1 ZINC001353994890 886298287 /nfs/dbraw/zinc/29/82/87/886298287.db2.gz QXBAOENPIBCPKP-UHFFFAOYSA-N 1 2 253.310 -1.691 20 0 CAADLO CN1CC[N@@H+](C)CC(C(=O)NCc2nn[nH]n2)C1 ZINC001353994890 886298305 /nfs/dbraw/zinc/29/83/05/886298305.db2.gz QXBAOENPIBCPKP-UHFFFAOYSA-N 1 2 253.310 -1.691 20 0 CAADLO O=C(CN1CCNC(=O)C1)N[C@@H]1CCn2c[nH+]cc21 ZINC001354102962 886300309 /nfs/dbraw/zinc/30/03/09/886300309.db2.gz YAVVYQLCHRQZHU-SECBINFHSA-N 1 2 263.301 -1.124 20 0 CAADLO CCn1ncc(C[NH2+]C[C@@H](O)CS(C)(=O)=O)n1 ZINC001354181079 886302332 /nfs/dbraw/zinc/30/23/32/886302332.db2.gz KKPANLCVJLATLU-SECBINFHSA-N 1 2 262.335 -1.207 20 0 CAADLO C[C@@H](CNC(=O)Cc1c[nH+]cn1C)NC(=O)CC(N)=O ZINC001354578667 886319237 /nfs/dbraw/zinc/31/92/37/886319237.db2.gz VZSFTVIMIYFUPQ-QMMMGPOBSA-N 1 2 281.316 -1.541 20 0 CAADLO C[C@H](CNC(=O)Cc1c[nH+]cn1C)NC(=O)C(N)=O ZINC001354579044 886319387 /nfs/dbraw/zinc/31/93/87/886319387.db2.gz ZTBCVUNTDWSNCC-SSDOTTSWSA-N 1 2 267.289 -1.931 20 0 CAADLO C[C@H](CNC(=O)C(N)=O)NC(=O)CCc1[nH]cc[nH+]1 ZINC001354685601 886321653 /nfs/dbraw/zinc/32/16/53/886321653.db2.gz LPVDZVVDDVRZRV-SSDOTTSWSA-N 1 2 267.289 -1.552 20 0 CAADLO NC(=O)C(=O)NC[C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001354877318 886327683 /nfs/dbraw/zinc/32/76/83/886327683.db2.gz DPGCOAWLQSFLIT-SECBINFHSA-N 1 2 293.327 -1.208 20 0 CAADLO NC(=O)C(=O)NC[C@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001354877318 886327697 /nfs/dbraw/zinc/32/76/97/886327697.db2.gz DPGCOAWLQSFLIT-SECBINFHSA-N 1 2 293.327 -1.208 20 0 CAADLO O=C1C[C@H]([N@H+]2C[C@@H]3CS(=O)(=O)C[C@@H]3C2)C(=O)N1 ZINC001355381778 886335632 /nfs/dbraw/zinc/33/56/32/886335632.db2.gz WXRSGUWGRXDWMU-RNJXMRFFSA-N 1 2 258.299 -1.622 20 0 CAADLO O=C1C[C@H]([N@@H+]2C[C@@H]3CS(=O)(=O)C[C@@H]3C2)C(=O)N1 ZINC001355381778 886335649 /nfs/dbraw/zinc/33/56/49/886335649.db2.gz WXRSGUWGRXDWMU-RNJXMRFFSA-N 1 2 258.299 -1.622 20 0 CAADLO C[C@H](C(=O)N1CC2(C1)NC(=O)NC2=O)n1cc[nH+]c1 ZINC001355165645 886336428 /nfs/dbraw/zinc/33/64/28/886336428.db2.gz QMQHNNKOYNMLRZ-SSDOTTSWSA-N 1 2 263.257 -1.136 20 0 CAADLO O=C1C[C@@H]([N@H+]2C[C@@H]3CS(=O)(=O)C[C@@H]3C2)C(=O)N1 ZINC001355381777 886336939 /nfs/dbraw/zinc/33/69/39/886336939.db2.gz WXRSGUWGRXDWMU-GJMOJQLCSA-N 1 2 258.299 -1.622 20 0 CAADLO O=C1C[C@@H]([N@@H+]2C[C@@H]3CS(=O)(=O)C[C@@H]3C2)C(=O)N1 ZINC001355381777 886336942 /nfs/dbraw/zinc/33/69/42/886336942.db2.gz WXRSGUWGRXDWMU-GJMOJQLCSA-N 1 2 258.299 -1.622 20 0 CAADLO O=C(CN1CC[NH2+]CC1=O)N1CC[C@@H](O)[C@H](F)C1 ZINC001355571058 886343777 /nfs/dbraw/zinc/34/37/77/886343777.db2.gz KGTHWYKVQFQLDX-RKDXNWHRSA-N 1 2 259.281 -1.651 20 0 CAADLO CNC(=O)CC(=O)N(C)CCNC(=O)Cc1[nH]c[nH+]c1C ZINC001355791816 886347336 /nfs/dbraw/zinc/34/73/36/886347336.db2.gz TWPMHUACZNLFMV-UHFFFAOYSA-N 1 2 295.343 -1.029 20 0 CAADLO CN(CCNC(=O)Cc1c[nH]c[nH+]1)C(=O)CC(N)=O ZINC001355954814 886352230 /nfs/dbraw/zinc/35/22/30/886352230.db2.gz WTFKCUKZFUDABB-UHFFFAOYSA-N 1 2 267.289 -1.598 20 0 CAADLO CCN(CCNC(=O)Cc1[nH]cc[nH+]1)C(=O)CC(N)=O ZINC001356180583 886354835 /nfs/dbraw/zinc/35/48/35/886354835.db2.gz NEQOUOMXDAIHTD-UHFFFAOYSA-N 1 2 281.316 -1.208 20 0 CAADLO NC(=O)C(=O)NC[C@H]1CCCN1C(=O)CCn1cc[nH+]c1 ZINC001356394918 886362033 /nfs/dbraw/zinc/36/20/33/886362033.db2.gz OYZJERQFFPQJMK-SNVBAGLBSA-N 1 2 293.327 -1.134 20 0 CAADLO CC[NH+]1CCN(C(=O)C(=O)N2CC=C[C@@H]2CO)CC1 ZINC001356357876 886363078 /nfs/dbraw/zinc/36/30/78/886363078.db2.gz HIPFSNUDJZDSQW-LLVKDONJSA-N 1 2 267.329 -1.090 20 0 CAADLO CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)[C@@H]1CCCNC1=O ZINC001356632050 886370122 /nfs/dbraw/zinc/37/01/22/886370122.db2.gz TUOXRSGUTAEMPI-NXEZZACHSA-N 1 2 283.328 -1.124 20 0 CAADLO CN(C[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1)C(=O)C(N)=O ZINC001356717876 886373434 /nfs/dbraw/zinc/37/34/34/886373434.db2.gz BOUPXNPOPXSKKP-VIFPVBQESA-N 1 2 293.327 -1.256 20 0 CAADLO CNC(=O)CC(=O)N1CC(NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001356787268 886383003 /nfs/dbraw/zinc/38/30/03/886383003.db2.gz SETBHDNBQBEQSD-UHFFFAOYSA-N 1 2 279.300 -1.585 20 0 CAADLO NC(=O)CC(=O)N1CC(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001356820236 886385271 /nfs/dbraw/zinc/38/52/71/886385271.db2.gz XHMRETYLYYWRMO-UHFFFAOYSA-N 1 2 279.300 -1.667 20 0 CAADLO CNC(=O)CC(=O)N1CC(CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001356829142 886385730 /nfs/dbraw/zinc/38/57/30/886385730.db2.gz GCMMRDMUOINNHC-UHFFFAOYSA-N 1 2 293.327 -1.337 20 0 CAADLO CC[C@@H](CNC(=O)CC(N)=O)NC(=O)Cc1c[nH+]cn1C ZINC001356875704 886388056 /nfs/dbraw/zinc/38/80/56/886388056.db2.gz WERPRLIVYCVGGB-VIFPVBQESA-N 1 2 295.343 -1.151 20 0 CAADLO CC[C@H](CNC(=O)CCc1c[nH+]cn1C)NC(=O)C(N)=O ZINC001356913707 886388904 /nfs/dbraw/zinc/38/89/04/886388904.db2.gz OCCOBELYTLPALR-SECBINFHSA-N 1 2 295.343 -1.151 20 0 CAADLO CC(=O)NC[C@@H](O)CNC(=O)CCc1c[nH]c[nH+]1 ZINC001357369287 886403489 /nfs/dbraw/zinc/40/34/89/886403489.db2.gz YQTLCBFFFGEIBR-SNVBAGLBSA-N 1 2 254.290 -1.045 20 0 CAADLO CC(=O)NC[C@@H](O)CNC(=O)CCc1c[nH+]c[nH]1 ZINC001357369287 886403495 /nfs/dbraw/zinc/40/34/95/886403495.db2.gz YQTLCBFFFGEIBR-SNVBAGLBSA-N 1 2 254.290 -1.045 20 0 CAADLO CC(=O)NC[C@H](O)CNC(=O)CCc1c[nH]c[nH+]1 ZINC001357369286 886403773 /nfs/dbraw/zinc/40/37/73/886403773.db2.gz YQTLCBFFFGEIBR-JTQLQIEISA-N 1 2 254.290 -1.045 20 0 CAADLO CC(=O)NC[C@H](O)CNC(=O)CCc1c[nH+]c[nH]1 ZINC001357369286 886403780 /nfs/dbraw/zinc/40/37/80/886403780.db2.gz YQTLCBFFFGEIBR-JTQLQIEISA-N 1 2 254.290 -1.045 20 0 CAADLO Cn1c[nH+]cc1CC(=O)NC[C@@H](O)CNC(=O)C(N)=O ZINC001357450060 886409389 /nfs/dbraw/zinc/40/93/89/886409389.db2.gz CDBMUBWWYVYJMX-MRVPVSSYSA-N 1 2 283.288 -2.959 20 0 CAADLO NC(=O)C(=O)N1CC[C@H]1CNC(=O)Cc1c[nH]c[nH+]1 ZINC001358643118 886436843 /nfs/dbraw/zinc/43/68/43/886436843.db2.gz BPRWSTBZXPDFEL-QMMMGPOBSA-N 1 2 265.273 -1.845 20 0 CAADLO Cn1c[nH+]cc1CC(=O)NC[C@H]1CCN1C(=O)CC(N)=O ZINC001358623895 886436976 /nfs/dbraw/zinc/43/69/76/886436976.db2.gz NRBZLLMEFZUKSO-SECBINFHSA-N 1 2 293.327 -1.445 20 0 CAADLO Cn1c[nH+]cc1CC(=O)NC[C@@H]1CCN1C(=O)CC(N)=O ZINC001358623896 886437372 /nfs/dbraw/zinc/43/73/72/886437372.db2.gz NRBZLLMEFZUKSO-VIFPVBQESA-N 1 2 293.327 -1.445 20 0 CAADLO Cn1c[nH+]cc1CCC(=O)NCC1(NC(=O)C(N)=O)CC1 ZINC001358683552 886440056 /nfs/dbraw/zinc/44/00/56/886440056.db2.gz BIGMZCMDRPMHNN-UHFFFAOYSA-N 1 2 293.327 -1.397 20 0 CAADLO CNC(=O)CC(=O)NC1(CNC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001358686965 886440524 /nfs/dbraw/zinc/44/05/24/886440524.db2.gz KNKQFAWCRQKRCQ-UHFFFAOYSA-N 1 2 293.327 -1.147 20 0 CAADLO CC(=O)NC[C@@]1(O)CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001358859634 886445658 /nfs/dbraw/zinc/44/56/58/886445658.db2.gz PRKNBMBIIXHRKJ-LBPRGKRZSA-N 1 2 266.301 -1.017 20 0 CAADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@]2(O)CCOC2)CC1 ZINC001361610427 886468382 /nfs/dbraw/zinc/46/83/82/886468382.db2.gz FEMJDQKGDVUUAE-CQSZACIVSA-N 1 2 299.371 -1.192 20 0 CAADLO CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@]2(O)CCOC2)CC1 ZINC001361610427 886468385 /nfs/dbraw/zinc/46/83/85/886468385.db2.gz FEMJDQKGDVUUAE-CQSZACIVSA-N 1 2 299.371 -1.192 20 0 CAADLO CC1(C)COCC[N@@H+]1CCNC(=O)[C@H](CO)NC(N)=O ZINC001361755154 886480679 /nfs/dbraw/zinc/48/06/79/886480679.db2.gz QBTUHHNMOMNHMU-VIFPVBQESA-N 1 2 288.348 -1.757 20 0 CAADLO CC1(C)COCC[N@H+]1CCNC(=O)[C@H](CO)NC(N)=O ZINC001361755154 886480685 /nfs/dbraw/zinc/48/06/85/886480685.db2.gz QBTUHHNMOMNHMU-VIFPVBQESA-N 1 2 288.348 -1.757 20 0 CAADLO NC(=O)Cn1cc(C(=O)N2CC(n3cc[nH+]c3)C2)nn1 ZINC001361867569 886495582 /nfs/dbraw/zinc/49/55/82/886495582.db2.gz IAFBASWROPNFSI-UHFFFAOYSA-N 1 2 275.272 -1.343 20 0 CAADLO C[C@H](NC(=O)Cn1cnnn1)C(=O)NCCn1cc[nH+]c1 ZINC001361917615 886503265 /nfs/dbraw/zinc/50/32/65/886503265.db2.gz KTBUSVQKLYLRIR-VIFPVBQESA-N 1 2 292.303 -1.809 20 0 CAADLO Cn1cc([C@H](O)C(=O)N[C@H]2CCC[N@H+](CC(N)=O)C2)cn1 ZINC001361933393 886506537 /nfs/dbraw/zinc/50/65/37/886506537.db2.gz PBKBUHZAODVCQQ-JQWIXIFHSA-N 1 2 295.343 -1.481 20 0 CAADLO Cn1cc([C@H](O)C(=O)N[C@H]2CCC[N@@H+](CC(N)=O)C2)cn1 ZINC001361933393 886506542 /nfs/dbraw/zinc/50/65/42/886506542.db2.gz PBKBUHZAODVCQQ-JQWIXIFHSA-N 1 2 295.343 -1.481 20 0 CAADLO Cn1cc([C@H](O)C(=O)N[C@@H]2CCC[N@H+](CC(N)=O)C2)cn1 ZINC001361933395 886507219 /nfs/dbraw/zinc/50/72/19/886507219.db2.gz PBKBUHZAODVCQQ-PWSUYJOCSA-N 1 2 295.343 -1.481 20 0 CAADLO Cn1cc([C@H](O)C(=O)N[C@@H]2CCC[N@@H+](CC(N)=O)C2)cn1 ZINC001361933395 886507232 /nfs/dbraw/zinc/50/72/32/886507232.db2.gz PBKBUHZAODVCQQ-PWSUYJOCSA-N 1 2 295.343 -1.481 20 0 CAADLO Cn1cc([C@@H](O)C(=O)N[C@H]2CCC[N@H+](CC(N)=O)C2)cn1 ZINC001361933376 886507251 /nfs/dbraw/zinc/50/72/51/886507251.db2.gz PBKBUHZAODVCQQ-CMPLNLGQSA-N 1 2 295.343 -1.481 20 0 CAADLO Cn1cc([C@@H](O)C(=O)N[C@H]2CCC[N@@H+](CC(N)=O)C2)cn1 ZINC001361933376 886507263 /nfs/dbraw/zinc/50/72/63/886507263.db2.gz PBKBUHZAODVCQQ-CMPLNLGQSA-N 1 2 295.343 -1.481 20 0 CAADLO C[C@H](NC(=O)Cn1nnc(N)n1)[C@H](C)[NH+]1CCOCC1 ZINC001361943310 886510109 /nfs/dbraw/zinc/51/01/09/886510109.db2.gz ZIGFIXPQSQFESO-IUCAKERBSA-N 1 2 283.336 -1.519 20 0 CAADLO C[C@@H](NC(=O)Cn1nnc(N)n1)[C@H](C)[NH+]1CCOCC1 ZINC001361943299 886510143 /nfs/dbraw/zinc/51/01/43/886510143.db2.gz ZIGFIXPQSQFESO-BDAKNGLRSA-N 1 2 283.336 -1.519 20 0 CAADLO C[C@@H](NC(=O)Cn1nnc(N)n1)[C@@H](C)[NH+]1CCOCC1 ZINC001361943312 886510309 /nfs/dbraw/zinc/51/03/09/886510309.db2.gz ZIGFIXPQSQFESO-RKDXNWHRSA-N 1 2 283.336 -1.519 20 0 CAADLO C[C@H]([C@H](C)NC(=O)Cn1nnc(N)n1)[NH+]1CCOCC1 ZINC001361943308 886510617 /nfs/dbraw/zinc/51/06/17/886510617.db2.gz ZIGFIXPQSQFESO-DTWKUNHWSA-N 1 2 283.336 -1.519 20 0 CAADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)CCc1nnc[nH]1 ZINC001362065133 886525824 /nfs/dbraw/zinc/52/58/24/886525824.db2.gz BHGQTRHZYQNUPW-NSHDSACASA-N 1 2 297.359 -1.111 20 0 CAADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCCS(N)(=O)=O ZINC001362062490 886526787 /nfs/dbraw/zinc/52/67/87/886526787.db2.gz LNYMVQZQFRJAOU-HTQZYQBOSA-N 1 2 272.330 -1.072 20 0 CAADLO C[C@H]1COCC[N@@H+]1CCNC(=O)[C@@H](CO)NC(N)=O ZINC001362065484 886527672 /nfs/dbraw/zinc/52/76/72/886527672.db2.gz KHADTGDOGQXKOF-DTWKUNHWSA-N 1 2 274.321 -2.148 20 0 CAADLO C[C@H]1COCC[N@H+]1CCNC(=O)[C@@H](CO)NC(N)=O ZINC001362065484 886527680 /nfs/dbraw/zinc/52/76/80/886527680.db2.gz KHADTGDOGQXKOF-DTWKUNHWSA-N 1 2 274.321 -2.148 20 0 CAADLO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)Cn1nnc(N)n1 ZINC001362109126 886536902 /nfs/dbraw/zinc/53/69/02/886536902.db2.gz AGGNZYPAJZHFRK-VIFPVBQESA-N 1 2 282.352 -1.993 20 0 CAADLO CN1CC[N@H+](C)[C@@H](CNC(=O)CCCS(N)(=O)=O)C1 ZINC001362147805 886549213 /nfs/dbraw/zinc/54/92/13/886549213.db2.gz PBRBMUCROPTIAV-JTQLQIEISA-N 1 2 292.405 -1.583 20 0 CAADLO CN1CC[N@@H+](C)[C@@H](CNC(=O)CCCS(N)(=O)=O)C1 ZINC001362147805 886549220 /nfs/dbraw/zinc/54/92/20/886549220.db2.gz PBRBMUCROPTIAV-JTQLQIEISA-N 1 2 292.405 -1.583 20 0 CAADLO C[C@@H](NC(=O)Cn1cnnn1)C(=O)NCCc1[nH]cc[nH+]1 ZINC001362191326 886553912 /nfs/dbraw/zinc/55/39/12/886553912.db2.gz YFKGLKZCECHLMG-MRVPVSSYSA-N 1 2 292.303 -1.740 20 0 CAADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)c1cnn(C)n1 ZINC001362206615 886557087 /nfs/dbraw/zinc/55/70/87/886557087.db2.gz CPENVLPVHYHBLJ-JTQLQIEISA-N 1 2 283.332 -1.420 20 0 CAADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)c1cc(CO)on1 ZINC001362206436 886558356 /nfs/dbraw/zinc/55/83/56/886558356.db2.gz CEGFEHMKKYUFRJ-JTQLQIEISA-N 1 2 299.327 -1.068 20 0 CAADLO C[C@H](NC(=O)Cn1cnc(N)n1)[C@H]1CN(C)CC[N@@H+]1C ZINC001362238687 886565646 /nfs/dbraw/zinc/56/56/46/886565646.db2.gz YUOHSCAZDWMTIL-VHSXEESVSA-N 1 2 281.364 -1.389 20 0 CAADLO C[C@H](NC(=O)Cn1cnc(N)n1)[C@H]1CN(C)CC[N@H+]1C ZINC001362238687 886565650 /nfs/dbraw/zinc/56/56/50/886565650.db2.gz YUOHSCAZDWMTIL-VHSXEESVSA-N 1 2 281.364 -1.389 20 0 CAADLO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)[C@@H](CO)NC(N)=O ZINC001362262854 886571538 /nfs/dbraw/zinc/57/15/38/886571538.db2.gz NRBVJHLJRCFSFY-VHSXEESVSA-N 1 2 287.364 -2.232 20 0 CAADLO O=C(N1CC[NH+](CCn2cncn2)CC1)C1(O)COC1 ZINC001362266576 886574189 /nfs/dbraw/zinc/57/41/89/886574189.db2.gz QTDODXQCTGEOSO-UHFFFAOYSA-N 1 2 281.316 -1.816 20 0 CAADLO CNS(=O)(=O)NCC(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC001362328509 886588266 /nfs/dbraw/zinc/58/82/66/886588266.db2.gz NIKQLJRLPCCTNF-SECBINFHSA-N 1 2 289.361 -1.311 20 0 CAADLO O=C(NC1CC[NH+]([C@H]2CCOC2=O)CC1)C1(O)COC1 ZINC001362347630 886595567 /nfs/dbraw/zinc/59/55/67/886595567.db2.gz MLFBMEAGFATGSH-JTQLQIEISA-N 1 2 284.312 -1.356 20 0 CAADLO C[C@@H]1CN(C(=O)c2nccnc2C(N)=O)CC[N@@H+]1CCO ZINC001362372984 886600945 /nfs/dbraw/zinc/60/09/45/886600945.db2.gz AZJPJIUCFWWORM-SECBINFHSA-N 1 2 293.327 -1.286 20 0 CAADLO C[C@@H]1CN(C(=O)c2nccnc2C(N)=O)CC[N@H+]1CCO ZINC001362372984 886600961 /nfs/dbraw/zinc/60/09/61/886600961.db2.gz AZJPJIUCFWWORM-SECBINFHSA-N 1 2 293.327 -1.286 20 0 CAADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CCn1cnnn1 ZINC001362418722 886610494 /nfs/dbraw/zinc/61/04/94/886610494.db2.gz GBCXYGPYGMRUOR-VIFPVBQESA-N 1 2 293.287 -1.313 20 0 CAADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CCn1cnnn1 ZINC001362418722 886610503 /nfs/dbraw/zinc/61/05/03/886610503.db2.gz GBCXYGPYGMRUOR-VIFPVBQESA-N 1 2 293.287 -1.313 20 0 CAADLO O=C(Cc1c[nH]c[nH+]1)NC[C@@]1(O)CCS(=O)(=O)C1 ZINC001362456755 886620098 /nfs/dbraw/zinc/62/00/98/886620098.db2.gz XVSXDEAELMDDOQ-JTQLQIEISA-N 1 2 273.314 -1.382 20 0 CAADLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)[C@H](CO)NC(N)=O)C1 ZINC001362478789 886623525 /nfs/dbraw/zinc/62/35/25/886623525.db2.gz BGGDQLDMFOVLAF-IUCAKERBSA-N 1 2 281.316 -1.235 20 0 CAADLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)[C@@H](CO)NC(N)=O)C1 ZINC001362478790 886624165 /nfs/dbraw/zinc/62/41/65/886624165.db2.gz BGGDQLDMFOVLAF-RKDXNWHRSA-N 1 2 281.316 -1.235 20 0 CAADLO O=C(N[C@@H]1Cc2c[nH+]cn2C1)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001362473107 886624583 /nfs/dbraw/zinc/62/45/83/886624583.db2.gz FQDSUOZOKMXOEU-APPZFPTMSA-N 1 2 298.324 -2.163 20 0 CAADLO O=C(CN1CCC(=O)NC1=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC001362473304 886624619 /nfs/dbraw/zinc/62/46/19/886624619.db2.gz HYTXRFLOUPDCPL-MRVPVSSYSA-N 1 2 277.284 -1.134 20 0 CAADLO C[C@H]1CN(C(=O)CC2C(=O)N=CNC2=O)CC[N@@H+]1CCO ZINC001362545020 886641307 /nfs/dbraw/zinc/64/13/07/886641307.db2.gz WCUHAVOLIOKCIF-VIFPVBQESA-N 1 2 296.327 -1.045 20 0 CAADLO C[C@H]1CN(C(=O)CC2C(=O)N=CNC2=O)CC[N@H+]1CCO ZINC001362545020 886641311 /nfs/dbraw/zinc/64/13/11/886641311.db2.gz WCUHAVOLIOKCIF-VIFPVBQESA-N 1 2 296.327 -1.045 20 0 CAADLO C[C@@H]1CN(C(=O)CC2C(=O)N=CNC2=O)CC[N@@H+]1CCO ZINC001362545019 886641391 /nfs/dbraw/zinc/64/13/91/886641391.db2.gz WCUHAVOLIOKCIF-SECBINFHSA-N 1 2 296.327 -1.045 20 0 CAADLO C[C@@H]1CN(C(=O)CC2C(=O)N=CNC2=O)CC[N@H+]1CCO ZINC001362545019 886641399 /nfs/dbraw/zinc/64/13/99/886641399.db2.gz WCUHAVOLIOKCIF-SECBINFHSA-N 1 2 296.327 -1.045 20 0 CAADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C1(NC(N)=O)CC1 ZINC001362607536 886655936 /nfs/dbraw/zinc/65/59/36/886655936.db2.gz ZFQGUINPMFHRFV-QMMMGPOBSA-N 1 2 295.299 -1.189 20 0 CAADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C1(NC(N)=O)CC1 ZINC001362607536 886655944 /nfs/dbraw/zinc/65/59/44/886655944.db2.gz ZFQGUINPMFHRFV-QMMMGPOBSA-N 1 2 295.299 -1.189 20 0 CAADLO COC(=O)CNC(=O)CNC(=O)CCc1[nH+]ccn1C ZINC001362612600 886658791 /nfs/dbraw/zinc/65/87/91/886658791.db2.gz QMJMOYQSAHYIBC-UHFFFAOYSA-N 1 2 282.300 -1.242 20 0 CAADLO O=C(Cn1cnnn1)NC1CC[NH+]([C@H]2CCOC2=O)CC1 ZINC001362660003 886667094 /nfs/dbraw/zinc/66/70/94/886667094.db2.gz AMTQZURCTHIUNM-JTQLQIEISA-N 1 2 294.315 -1.431 20 0 CAADLO C[C@H](O)C[NH+]1CCN(C(=O)CC2C(=O)N=CNC2=O)CC1 ZINC001362690309 886676063 /nfs/dbraw/zinc/67/60/63/886676063.db2.gz UXFDMPZXFQUKHE-VIFPVBQESA-N 1 2 296.327 -1.045 20 0 CAADLO NC(=O)[C@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@@H]1C(N)=O ZINC001362701095 886678722 /nfs/dbraw/zinc/67/87/22/886678722.db2.gz CZAAUARUZHQMLS-IUCAKERBSA-N 1 2 279.300 -1.613 20 0 CAADLO NC(=O)[C@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@@H]1C(N)=O ZINC001362701095 886678731 /nfs/dbraw/zinc/67/87/31/886678731.db2.gz CZAAUARUZHQMLS-IUCAKERBSA-N 1 2 279.300 -1.613 20 0 CAADLO NC(=O)[C@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1C(N)=O ZINC001362701073 886679166 /nfs/dbraw/zinc/67/91/66/886679166.db2.gz CZAAUARUZHQMLS-DTORHVGOSA-N 1 2 279.300 -1.613 20 0 CAADLO NC(=O)[C@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1C(N)=O ZINC001362701073 886679177 /nfs/dbraw/zinc/67/91/77/886679177.db2.gz CZAAUARUZHQMLS-DTORHVGOSA-N 1 2 279.300 -1.613 20 0 CAADLO C[N@@H+]1CCN(C(=O)c2cn([C@@H]3CC[C@H]3O)nn2)[C@H](CO)C1 ZINC001362710892 886683207 /nfs/dbraw/zinc/68/32/07/886683207.db2.gz JDSASDNGCKXDJD-MVWJERBFSA-N 1 2 295.343 -1.278 20 0 CAADLO C[N@H+]1CCN(C(=O)c2cn([C@@H]3CC[C@H]3O)nn2)[C@H](CO)C1 ZINC001362710892 886683218 /nfs/dbraw/zinc/68/32/18/886683218.db2.gz JDSASDNGCKXDJD-MVWJERBFSA-N 1 2 295.343 -1.278 20 0 CAADLO C[N@@H+]1CCN(C(=O)c2cn([C@@H]3CC[C@H]3O)nn2)[C@@H](CO)C1 ZINC001362710898 886683287 /nfs/dbraw/zinc/68/32/87/886683287.db2.gz JDSASDNGCKXDJD-YUSALJHKSA-N 1 2 295.343 -1.278 20 0 CAADLO C[N@H+]1CCN(C(=O)c2cn([C@@H]3CC[C@H]3O)nn2)[C@@H](CO)C1 ZINC001362710898 886683292 /nfs/dbraw/zinc/68/32/92/886683292.db2.gz JDSASDNGCKXDJD-YUSALJHKSA-N 1 2 295.343 -1.278 20 0 CAADLO Cn1c[nH+]cc1[C@@H](CO)NC(=O)c1nccnc1C(N)=O ZINC001362719986 886686304 /nfs/dbraw/zinc/68/63/04/886686304.db2.gz ONTUOFXYTHVBRW-SSDOTTSWSA-N 1 2 290.283 -1.228 20 0 CAADLO NS(=O)(=O)NC1CN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001362725254 886688018 /nfs/dbraw/zinc/68/80/18/886688018.db2.gz CCGZSNSMCKFACM-UHFFFAOYSA-N 1 2 287.345 -1.333 20 0 CAADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC(NS(N)(=O)=O)C1 ZINC001362731416 886691918 /nfs/dbraw/zinc/69/19/18/886691918.db2.gz XIKPRBCAOGWTTK-ZETCQYMHSA-N 1 2 287.345 -1.408 20 0 CAADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC(NS(N)(=O)=O)C1 ZINC001362731416 886691926 /nfs/dbraw/zinc/69/19/26/886691926.db2.gz XIKPRBCAOGWTTK-ZETCQYMHSA-N 1 2 287.345 -1.408 20 0 CAADLO Nc1[nH+]ccc2c1CN(C(=O)CN1CCNC(=O)C1)CC2 ZINC001362745816 886696045 /nfs/dbraw/zinc/69/60/45/886696045.db2.gz DGDVJGJYEJVWQQ-UHFFFAOYSA-N 1 2 289.339 -1.020 20 0 CAADLO O=C(NCC[N@H+]1CC[C@H](O)C1)C1CCS(=O)(=O)CC1 ZINC001362755033 886697020 /nfs/dbraw/zinc/69/70/20/886697020.db2.gz BBKXXFBWQZDVDB-NSHDSACASA-N 1 2 290.385 -1.006 20 0 CAADLO O=C(NCC[N@@H+]1CC[C@H](O)C1)C1CCS(=O)(=O)CC1 ZINC001362755033 886697024 /nfs/dbraw/zinc/69/70/24/886697024.db2.gz BBKXXFBWQZDVDB-NSHDSACASA-N 1 2 290.385 -1.006 20 0 CAADLO C[N@@H+]1CCN(C(=O)c2nccnc2C(N)=O)C[C@H]1CO ZINC001362776292 886702190 /nfs/dbraw/zinc/70/21/90/886702190.db2.gz YHROTTJNKCRIFZ-QMMMGPOBSA-N 1 2 279.300 -1.676 20 0 CAADLO C[N@H+]1CCN(C(=O)c2nccnc2C(N)=O)C[C@H]1CO ZINC001362776292 886702205 /nfs/dbraw/zinc/70/22/05/886702205.db2.gz YHROTTJNKCRIFZ-QMMMGPOBSA-N 1 2 279.300 -1.676 20 0 CAADLO O=C(NC[C@]1(CO)COCC[NH2+]1)[C@@H]1CCCc2n[nH]nc21 ZINC001362776228 886702753 /nfs/dbraw/zinc/70/27/53/886702753.db2.gz PCGUNQYWYYKBMV-RNCFNFMXSA-N 1 2 295.343 -1.308 20 0 CAADLO C[N@@H+]1CCN(C(=O)c2nccnc2C(N)=O)C[C@@H]1CO ZINC001362776286 886703438 /nfs/dbraw/zinc/70/34/38/886703438.db2.gz YHROTTJNKCRIFZ-MRVPVSSYSA-N 1 2 279.300 -1.676 20 0 CAADLO C[N@H+]1CCN(C(=O)c2nccnc2C(N)=O)C[C@@H]1CO ZINC001362776286 886703443 /nfs/dbraw/zinc/70/34/43/886703443.db2.gz YHROTTJNKCRIFZ-MRVPVSSYSA-N 1 2 279.300 -1.676 20 0 CAADLO C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)N[C@H](CO)Cc1cnc[nH]1 ZINC001362794514 886710026 /nfs/dbraw/zinc/71/00/26/886710026.db2.gz HYYDTAKQZXDDDS-LOWVWBTDSA-N 1 2 282.344 -1.116 20 0 CAADLO C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)N[C@H](CO)Cc1cnc[nH]1 ZINC001362794514 886710042 /nfs/dbraw/zinc/71/00/42/886710042.db2.gz HYYDTAKQZXDDDS-LOWVWBTDSA-N 1 2 282.344 -1.116 20 0 CAADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)Cn1ncnn1 ZINC001362812562 886716419 /nfs/dbraw/zinc/71/64/19/886716419.db2.gz NJNWJNNMTHBIOY-QMMMGPOBSA-N 1 2 279.260 -1.703 20 0 CAADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)Cn1ncnn1 ZINC001362812562 886716427 /nfs/dbraw/zinc/71/64/27/886716427.db2.gz NJNWJNNMTHBIOY-QMMMGPOBSA-N 1 2 279.260 -1.703 20 0 CAADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1cnn(C)n1 ZINC001362836325 886723562 /nfs/dbraw/zinc/72/35/62/886723562.db2.gz UGJAJEVUEOHYOX-QMMMGPOBSA-N 1 2 277.288 -1.375 20 0 CAADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1cnn(C)n1 ZINC001362836325 886723571 /nfs/dbraw/zinc/72/35/71/886723571.db2.gz UGJAJEVUEOHYOX-QMMMGPOBSA-N 1 2 277.288 -1.375 20 0 CAADLO CS(=O)(=O)CC1(NC(=O)Cc2c[nH]c[nH+]2)COC1 ZINC001362855756 886731389 /nfs/dbraw/zinc/73/13/89/886731389.db2.gz DLZOMDUSFAIFAF-UHFFFAOYSA-N 1 2 273.314 -1.118 20 0 CAADLO CNC(=O)CN(CC(=O)NC)C(=O)Cc1c[nH+]cn1C ZINC001362861642 886731829 /nfs/dbraw/zinc/73/18/29/886731829.db2.gz DLNZOGCJIBBWAH-UHFFFAOYSA-N 1 2 281.316 -1.717 20 0 CAADLO CS(=O)(=O)CC(=O)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC001362876362 886735023 /nfs/dbraw/zinc/73/50/23/886735023.db2.gz UVPDSVJQFGCXQX-ZJUUUORDSA-N 1 2 276.358 -1.302 20 0 CAADLO CS(=O)(=O)CC(=O)N1CC[C@@H]([N@H+]2CC[C@H](O)C2)C1 ZINC001362876362 886735032 /nfs/dbraw/zinc/73/50/32/886735032.db2.gz UVPDSVJQFGCXQX-ZJUUUORDSA-N 1 2 276.358 -1.302 20 0 CAADLO C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)NCCC1CS(=O)(=O)C1 ZINC001362925822 886746873 /nfs/dbraw/zinc/74/68/73/886746873.db2.gz XMAKJOAKNPBDKW-ZYHUDNBSSA-N 1 2 290.385 -1.008 20 0 CAADLO C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)NCCC1CS(=O)(=O)C1 ZINC001362925822 886746876 /nfs/dbraw/zinc/74/68/76/886746876.db2.gz XMAKJOAKNPBDKW-ZYHUDNBSSA-N 1 2 290.385 -1.008 20 0 CAADLO COC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H](O)C(C)(C)O ZINC001362988151 886758833 /nfs/dbraw/zinc/75/88/33/886758833.db2.gz QWOMQFQLMKYIQD-RKDXNWHRSA-N 1 2 285.300 -1.258 20 0 CAADLO COC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H](O)C(C)(C)O ZINC001362988151 886758848 /nfs/dbraw/zinc/75/88/48/886758848.db2.gz QWOMQFQLMKYIQD-RKDXNWHRSA-N 1 2 285.300 -1.258 20 0 CAADLO COC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H](C)NC(N)=O ZINC001362986595 886759375 /nfs/dbraw/zinc/75/93/75/886759375.db2.gz LFRQXXVNAFVOQX-POYBYMJQSA-N 1 2 283.288 -1.333 20 0 CAADLO COC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H](C)NC(N)=O ZINC001362986595 886759386 /nfs/dbraw/zinc/75/93/86/886759386.db2.gz LFRQXXVNAFVOQX-POYBYMJQSA-N 1 2 283.288 -1.333 20 0 CAADLO C[NH+](C)Cc1nc(CNC(=O)CCNC(=O)CO)co1 ZINC001362989165 886759800 /nfs/dbraw/zinc/75/98/00/886759800.db2.gz FGMOWDGMKFYVQE-UHFFFAOYSA-N 1 2 284.316 -1.149 20 0 CAADLO C[NH+](C)Cc1nc(CNC(=O)[C@@H]2CC(=O)NC(=O)N2)co1 ZINC001362989321 886760986 /nfs/dbraw/zinc/76/09/86/886760986.db2.gz HGORKDCYIMEDSW-QMMMGPOBSA-N 1 2 295.299 -1.050 20 0 CAADLO NS(=O)(=O)c1n[nH]cc1C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC001363018152 886769231 /nfs/dbraw/zinc/76/92/31/886769231.db2.gz DRZOCLKFTGIUNY-ZCFIWIBFSA-N 1 2 296.312 -1.392 20 0 CAADLO NS(=O)(=O)c1n[nH]cc1C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC001363018151 886770206 /nfs/dbraw/zinc/77/02/06/886770206.db2.gz DRZOCLKFTGIUNY-LURJTMIESA-N 1 2 296.312 -1.392 20 0 CAADLO Cn1c[nH+]cc1[C@@H](CO)NC(=O)Cn1ccc(=O)[nH]c1=O ZINC001363045295 886777011 /nfs/dbraw/zinc/77/70/11/886777011.db2.gz CALNODISOFLYIO-MRVPVSSYSA-N 1 2 293.283 -1.468 20 0 CAADLO CC[N@@H+]1CC[C@@H]1C(=O)N1CC(=O)N(C)C[C@H]1C(=O)OC ZINC001363043041 886777276 /nfs/dbraw/zinc/77/72/76/886777276.db2.gz VIRKKIPCAORSGH-ZJUUUORDSA-N 1 2 283.328 -1.077 20 0 CAADLO CC[N@H+]1CC[C@@H]1C(=O)N1CC(=O)N(C)C[C@H]1C(=O)OC ZINC001363043041 886777280 /nfs/dbraw/zinc/77/72/80/886777280.db2.gz VIRKKIPCAORSGH-ZJUUUORDSA-N 1 2 283.328 -1.077 20 0 CAADLO C[N@@H+]1CCN(C(=O)c2cnn(C[C@@H](O)CO)c2)[C@H](CO)C1 ZINC001363039231 886777339 /nfs/dbraw/zinc/77/73/39/886777339.db2.gz IYNGUHYMBYADIF-NWDGAFQWSA-N 1 2 298.343 -2.015 20 0 CAADLO C[N@H+]1CCN(C(=O)c2cnn(C[C@@H](O)CO)c2)[C@H](CO)C1 ZINC001363039231 886777344 /nfs/dbraw/zinc/77/73/44/886777344.db2.gz IYNGUHYMBYADIF-NWDGAFQWSA-N 1 2 298.343 -2.015 20 0 CAADLO O=C(NC[C@@]1(CO)COC[C@@H]2CCC[N@@H+]21)c1ncn[nH]1 ZINC001363078415 886786213 /nfs/dbraw/zinc/78/62/13/886786213.db2.gz MZZMYTPWSRJZNL-JOYOIKCWSA-N 1 2 281.316 -1.240 20 0 CAADLO O=C(NC[C@@]1(CO)COC[C@@H]2CCC[N@H+]21)c1ncn[nH]1 ZINC001363078415 886786223 /nfs/dbraw/zinc/78/62/23/886786223.db2.gz MZZMYTPWSRJZNL-JOYOIKCWSA-N 1 2 281.316 -1.240 20 0 CAADLO NC(=O)C[NH+]1CCC(NC(=O)CCc2nn[nH]n2)CC1 ZINC001363077017 886786309 /nfs/dbraw/zinc/78/63/09/886786309.db2.gz GEUZNWABIZMCPG-UHFFFAOYSA-N 1 2 281.320 -1.802 20 0 CAADLO Cc1nn(CC(=O)N[C@H](CO)c2c[nH+]cn2C)c(=O)n1C ZINC001363137410 886801843 /nfs/dbraw/zinc/80/18/43/886801843.db2.gz BBGXSMQUZYKJAG-SECBINFHSA-N 1 2 294.315 -1.526 20 0 CAADLO Cn1c[nH+]cc1[C@H](CO)NC(=O)c1nc2n(n1)CCCN2 ZINC001363141804 886803559 /nfs/dbraw/zinc/80/35/59/886803559.db2.gz JHCKEOQQEVNLPK-QMMMGPOBSA-N 1 2 291.315 -1.452 20 0 CAADLO Cn1c[nH+]cc1[C@H](CO)NC(=O)C1(S(N)(=O)=O)CC1 ZINC001363144259 886804221 /nfs/dbraw/zinc/80/42/21/886804221.db2.gz OJRKMWMUAYVWBZ-ZETCQYMHSA-N 1 2 288.329 -1.609 20 0 CAADLO C[NH+](C)C[C@@H](CO)NC(=O)C[C@H]1C=CS(=O)(=O)C1 ZINC001363152468 886807410 /nfs/dbraw/zinc/80/74/10/886807410.db2.gz ACAPSNWYFXFGNS-ZJUUUORDSA-N 1 2 276.358 -1.027 20 0 CAADLO C[N@@H+]1CCN(C(=O)c2cn([C@@H]3CC[C@H]3O)nn2)C[C@@H]1CO ZINC001363150212 886807677 /nfs/dbraw/zinc/80/76/77/886807677.db2.gz VMTLFFWIYURQPI-YUSALJHKSA-N 1 2 295.343 -1.278 20 0 CAADLO C[N@H+]1CCN(C(=O)c2cn([C@@H]3CC[C@H]3O)nn2)C[C@@H]1CO ZINC001363150212 886807683 /nfs/dbraw/zinc/80/76/83/886807683.db2.gz VMTLFFWIYURQPI-YUSALJHKSA-N 1 2 295.343 -1.278 20 0 CAADLO CS(=O)(=O)CC1(NC(=O)Cc2[nH]cc[nH+]2)COC1 ZINC001363153184 886808159 /nfs/dbraw/zinc/80/81/59/886808159.db2.gz NNCSISXAXPFIRU-UHFFFAOYSA-N 1 2 273.314 -1.118 20 0 CAADLO Cn1cc([C@@H](O)C(=O)N[C@H](CO)Cc2c[nH]c[nH+]2)cn1 ZINC001363193434 886822628 /nfs/dbraw/zinc/82/26/28/886822628.db2.gz ADXPNLUTCHYKRM-WDEREUQCSA-N 1 2 279.300 -1.104 20 0 CAADLO Cn1cc([C@@H](O)C(=O)N[C@H](CO)Cc2c[nH+]c[nH]2)cn1 ZINC001363193434 886822641 /nfs/dbraw/zinc/82/26/41/886822641.db2.gz ADXPNLUTCHYKRM-WDEREUQCSA-N 1 2 279.300 -1.104 20 0 CAADLO O=C(CO)NCCC(=O)N1CC[NH2+][C@H](c2cn[nH]c2)C1 ZINC001363195799 886823090 /nfs/dbraw/zinc/82/30/90/886823090.db2.gz JYYJCIXGDKYHQE-JTQLQIEISA-N 1 2 281.316 -1.619 20 0 CAADLO NS(=O)(=O)C1(C(=O)N2CC[NH2+][C@@H](c3cn[nH]c3)C2)CC1 ZINC001363193597 886823660 /nfs/dbraw/zinc/82/36/60/886823660.db2.gz AAJILGXSMGRCDD-SECBINFHSA-N 1 2 299.356 -1.296 20 0 CAADLO O=C(CO)NCCC(=O)N1CC[NH2+][C@@H](c2cn[nH]c2)C1 ZINC001363195802 886823688 /nfs/dbraw/zinc/82/36/88/886823688.db2.gz JYYJCIXGDKYHQE-SNVBAGLBSA-N 1 2 281.316 -1.619 20 0 CAADLO Cn1c[nH+]c(CCNC(=O)C2(S(N)(=O)=O)CC2)c1 ZINC001363212883 886831544 /nfs/dbraw/zinc/83/15/44/886831544.db2.gz SSTKQHLWNUFPFA-UHFFFAOYSA-N 1 2 272.330 -1.100 20 0 CAADLO NS(=O)(=O)[C@@H]1CC[N@H+](C[C@H]2CCS(=O)(=O)C2)C1 ZINC001363213307 886832233 /nfs/dbraw/zinc/83/22/33/886832233.db2.gz VEKHLDJOUAFRRV-RKDXNWHRSA-N 1 2 282.387 -1.216 20 0 CAADLO NS(=O)(=O)[C@@H]1CC[N@@H+](C[C@H]2CCS(=O)(=O)C2)C1 ZINC001363213307 886832244 /nfs/dbraw/zinc/83/22/44/886832244.db2.gz VEKHLDJOUAFRRV-RKDXNWHRSA-N 1 2 282.387 -1.216 20 0 CAADLO Nc1nnn(CC(=O)N2CC[NH+]([C@H]3CCOC3)CC2)n1 ZINC001363218677 886833078 /nfs/dbraw/zinc/83/30/78/886833078.db2.gz NGODPFKSQWEVGY-VIFPVBQESA-N 1 2 281.320 -1.812 20 0 CAADLO Cn1c[nH+]cc1CC(=O)NC[C@@]1(O)CCS(=O)(=O)C1 ZINC001363255223 886846321 /nfs/dbraw/zinc/84/63/21/886846321.db2.gz UBZPMJXFMWVEMF-NSHDSACASA-N 1 2 287.341 -1.372 20 0 CAADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H]1COC(=O)N1 ZINC001363280801 886848234 /nfs/dbraw/zinc/84/82/34/886848234.db2.gz VBERHPFFMLVMOQ-JGVFFNPUSA-N 1 2 281.272 -1.709 20 0 CAADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H]1COC(=O)N1 ZINC001363280801 886848249 /nfs/dbraw/zinc/84/82/49/886848249.db2.gz VBERHPFFMLVMOQ-JGVFFNPUSA-N 1 2 281.272 -1.709 20 0 CAADLO C[C@@H]1C[N@H+](CCO)CCN1C(=O)c1cn(CC(N)=O)nn1 ZINC001363285732 886854837 /nfs/dbraw/zinc/85/48/37/886854837.db2.gz ABFZLIHJTPSREK-SECBINFHSA-N 1 2 296.331 -2.098 20 0 CAADLO C[C@@H]1C[N@@H+](CCO)CCN1C(=O)c1cn(CC(N)=O)nn1 ZINC001363285732 886854853 /nfs/dbraw/zinc/85/48/53/886854853.db2.gz ABFZLIHJTPSREK-SECBINFHSA-N 1 2 296.331 -2.098 20 0 CAADLO C[N@@H+]1CCC[C@](O)(CC(=O)NCc2nnc(CO)[nH]2)C1 ZINC001363289552 886856327 /nfs/dbraw/zinc/85/63/27/886856327.db2.gz ZYEHUAPTOKGZPD-LBPRGKRZSA-N 1 2 283.332 -1.240 20 0 CAADLO C[N@H+]1CCC[C@](O)(CC(=O)NCc2nnc(CO)[nH]2)C1 ZINC001363289552 886856336 /nfs/dbraw/zinc/85/63/36/886856336.db2.gz ZYEHUAPTOKGZPD-LBPRGKRZSA-N 1 2 283.332 -1.240 20 0 CAADLO COC(=O)C1=NO[C@]2(CC[N@H+](CC(=O)NC(N)=O)C2)C1 ZINC001363292012 886857011 /nfs/dbraw/zinc/85/70/11/886857011.db2.gz PSSTZYAYHRMBOS-LLVKDONJSA-N 1 2 284.272 -1.425 20 0 CAADLO COC(=O)C1=NO[C@]2(CC[N@@H+](CC(=O)NC(N)=O)C2)C1 ZINC001363292012 886857019 /nfs/dbraw/zinc/85/70/19/886857019.db2.gz PSSTZYAYHRMBOS-LLVKDONJSA-N 1 2 284.272 -1.425 20 0 CAADLO CC(C)(CNS(N)(=O)=O)NC(=O)Cc1c[nH]c[nH+]1 ZINC001363292432 886860003 /nfs/dbraw/zinc/86/00/03/886860003.db2.gz GFQGXMCRTWNXOE-UHFFFAOYSA-N 1 2 275.334 -1.360 20 0 CAADLO CC[N@H+](CCC(=O)NC)Cc1cc(=O)n2[nH]c(N)nc2n1 ZINC001363318535 886868735 /nfs/dbraw/zinc/86/87/35/886868735.db2.gz GOCIZKQSMWIGLI-UHFFFAOYSA-N 1 2 293.331 -1.042 20 0 CAADLO CC[N@@H+](CCC(=O)NC)Cc1cc(=O)n2[nH]c(N)nc2n1 ZINC001363318535 886868751 /nfs/dbraw/zinc/86/87/51/886868751.db2.gz GOCIZKQSMWIGLI-UHFFFAOYSA-N 1 2 293.331 -1.042 20 0 CAADLO CNC(=O)N[C@@H]1CCC[N@H+](CCNS(C)(=O)=O)C1 ZINC001363325622 886869610 /nfs/dbraw/zinc/86/96/10/886869610.db2.gz HHIIWJROYDONSY-SECBINFHSA-N 1 2 278.378 -1.071 20 0 CAADLO CNC(=O)N[C@@H]1CCC[N@@H+](CCNS(C)(=O)=O)C1 ZINC001363325622 886869627 /nfs/dbraw/zinc/86/96/27/886869627.db2.gz HHIIWJROYDONSY-SECBINFHSA-N 1 2 278.378 -1.071 20 0 CAADLO Cn1[nH]c(C[N@@H+]2CC[C@@H](CS(N)(=O)=O)C2)nc1=O ZINC001363327776 886869936 /nfs/dbraw/zinc/86/99/36/886869936.db2.gz YOVZSTQFKKJCCY-SSDOTTSWSA-N 1 2 275.334 -1.781 20 0 CAADLO Cn1[nH]c(C[N@H+]2CC[C@@H](CS(N)(=O)=O)C2)nc1=O ZINC001363327776 886869949 /nfs/dbraw/zinc/86/99/49/886869949.db2.gz YOVZSTQFKKJCCY-SSDOTTSWSA-N 1 2 275.334 -1.781 20 0 CAADLO CNS(=O)(=O)CC(=O)N[C@@H](CO)c1c[nH+]cn1C ZINC001363323996 886870067 /nfs/dbraw/zinc/87/00/67/886870067.db2.gz MQBDDXXUDQJGBE-ZETCQYMHSA-N 1 2 276.318 -1.881 20 0 CAADLO Cn1[nH]c(C[N@@H+]2CC[C@H](CS(N)(=O)=O)C2)nc1=O ZINC001363327782 886870898 /nfs/dbraw/zinc/87/08/98/886870898.db2.gz YOVZSTQFKKJCCY-ZETCQYMHSA-N 1 2 275.334 -1.781 20 0 CAADLO Cn1[nH]c(C[N@H+]2CC[C@H](CS(N)(=O)=O)C2)nc1=O ZINC001363327782 886870921 /nfs/dbraw/zinc/87/09/21/886870921.db2.gz YOVZSTQFKKJCCY-ZETCQYMHSA-N 1 2 275.334 -1.781 20 0 CAADLO CCS(=O)(=O)NC1CC[NH+](CC(=O)NC(N)=O)CC1 ZINC001363320990 886871060 /nfs/dbraw/zinc/87/10/60/886871060.db2.gz JCFLPPOPYQRNTN-UHFFFAOYSA-N 1 2 292.361 -1.415 20 0 CAADLO CN(C)c1nc(N)nc(C[N@H+]2C[C@H](CCO)[C@H](CO)C2)n1 ZINC001363334770 886872589 /nfs/dbraw/zinc/87/25/89/886872589.db2.gz SWWWGBGYSVPWDN-UWVGGRQHSA-N 1 2 296.375 -1.058 20 0 CAADLO CN(C)c1nc(N)nc(C[N@@H+]2C[C@H](CCO)[C@H](CO)C2)n1 ZINC001363334770 886872599 /nfs/dbraw/zinc/87/25/99/886872599.db2.gz SWWWGBGYSVPWDN-UWVGGRQHSA-N 1 2 296.375 -1.058 20 0 CAADLO CNS(=O)(=O)CC[N@@H+]1CCN2CCOC[C@@]2(CO)C1 ZINC001363334836 886872915 /nfs/dbraw/zinc/87/29/15/886872915.db2.gz UPXDXEPJUXANKM-NSHDSACASA-N 1 2 293.389 -2.086 20 0 CAADLO CNS(=O)(=O)CC[N@H+]1CCN2CCOC[C@@]2(CO)C1 ZINC001363334836 886872929 /nfs/dbraw/zinc/87/29/29/886872929.db2.gz UPXDXEPJUXANKM-NSHDSACASA-N 1 2 293.389 -2.086 20 0 CAADLO CN(C)c1nc(N)nc(C[N@@H+]2C[C@H](CO)[C@@H](CCO)C2)n1 ZINC001363334772 886875553 /nfs/dbraw/zinc/87/55/53/886875553.db2.gz SWWWGBGYSVPWDN-VHSXEESVSA-N 1 2 296.375 -1.058 20 0 CAADLO CN(C)c1nc(N)nc(C[N@H+]2C[C@H](CO)[C@@H](CCO)C2)n1 ZINC001363334772 886875578 /nfs/dbraw/zinc/87/55/78/886875578.db2.gz SWWWGBGYSVPWDN-VHSXEESVSA-N 1 2 296.375 -1.058 20 0 CAADLO Cn1c[nH+]cc1[C@@H](CO)NC(=O)C1(n2cnnn2)CC1 ZINC001363329698 886876092 /nfs/dbraw/zinc/87/60/92/886876092.db2.gz UWSOEMDTAUXGFG-MRVPVSSYSA-N 1 2 277.288 -1.255 20 0 CAADLO CC(C)(CNS(N)(=O)=O)NC(=O)Cn1cc[nH+]c1 ZINC001363377971 886883857 /nfs/dbraw/zinc/88/38/57/886883857.db2.gz PBLKESCPCHAKGV-UHFFFAOYSA-N 1 2 275.334 -1.429 20 0 CAADLO O=C(N[C@@H]1CS(=O)(=O)C[C@H]1O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001363407805 886895712 /nfs/dbraw/zinc/89/57/12/886895712.db2.gz OQZHBZRIQXANGO-OPRDCNLKSA-N 1 2 299.352 -1.280 20 0 CAADLO COCC1(O)CC[NH+](Cc2cn(CC(N)=O)nn2)CC1 ZINC001363438943 886904600 /nfs/dbraw/zinc/90/46/00/886904600.db2.gz PQTXPCMMEFRCNN-UHFFFAOYSA-N 1 2 283.332 -1.263 20 0 CAADLO Cn1c[nH+]cc1[C@H](CO)NC(=O)C1=CCS(=O)(=O)C1 ZINC001363488811 886912856 /nfs/dbraw/zinc/91/28/56/886912856.db2.gz JOGGAGKJJKJNHN-VIFPVBQESA-N 1 2 285.325 -1.076 20 0 CAADLO Cn1cnnc1COCC(=O)N[C@H](CO)c1c[nH+]cn1C ZINC001363490176 886915294 /nfs/dbraw/zinc/91/52/94/886915294.db2.gz OOEVLRHPBOLKAK-SECBINFHSA-N 1 2 294.315 -1.085 20 0 CAADLO Cn1cnnc1COCC(=O)N[C@@H](CO)c1c[nH+]cn1C ZINC001363490177 886916327 /nfs/dbraw/zinc/91/63/27/886916327.db2.gz OOEVLRHPBOLKAK-VIFPVBQESA-N 1 2 294.315 -1.085 20 0 CAADLO O=C(CCc1[nH]cc[nH+]1)N[C@@H]1CS(=O)(=O)C[C@H]1O ZINC001363496678 886918601 /nfs/dbraw/zinc/91/86/01/886918601.db2.gz DNYYMZUAQIMTKZ-HTQZYQBOSA-N 1 2 273.314 -1.384 20 0 CAADLO Cn1c[nH+]cc1CC(=O)N[C@@H]1CS(=O)(=O)C[C@H]1O ZINC001363496811 886918716 /nfs/dbraw/zinc/91/87/16/886918716.db2.gz FXMNIPCTEKONGF-RKDXNWHRSA-N 1 2 273.314 -1.763 20 0 CAADLO Nc1nnn(CC(=O)N2CCc3cc[nH+]c(N)c3C2)n1 ZINC001363507878 886921254 /nfs/dbraw/zinc/92/12/54/886921254.db2.gz LOTBNNLDCKNJNY-UHFFFAOYSA-N 1 2 274.288 -1.183 20 0 CAADLO CC(=O)N[C@@H](CC(=O)N[C@H]1CCn2c[nH+]cc2C1)C(N)=O ZINC001363510910 886921434 /nfs/dbraw/zinc/92/14/34/886921434.db2.gz BBVQQWNVEDIGSA-ONGXEEELSA-N 1 2 293.327 -1.306 20 0 CAADLO C[N@@H+]1CCN(C(=O)c2cnn(C[C@H](O)CO)c2)C[C@@H]1CO ZINC001363508225 886922164 /nfs/dbraw/zinc/92/21/64/886922164.db2.gz HMVCKFZXLADEPS-NEPJUHHUSA-N 1 2 298.343 -2.015 20 0 CAADLO C[N@H+]1CCN(C(=O)c2cnn(C[C@H](O)CO)c2)C[C@@H]1CO ZINC001363508225 886922170 /nfs/dbraw/zinc/92/21/70/886922170.db2.gz HMVCKFZXLADEPS-NEPJUHHUSA-N 1 2 298.343 -2.015 20 0 CAADLO NC(=O)N1CCC[C@H]1C(=O)N[C@H](CO)Cc1c[nH]c[nH+]1 ZINC001363519753 886924925 /nfs/dbraw/zinc/92/49/25/886924925.db2.gz UPVJOZKRODUVGR-UWVGGRQHSA-N 1 2 281.316 -1.028 20 0 CAADLO NC(=O)N1CCC[C@H]1C(=O)N[C@H](CO)Cc1c[nH+]c[nH]1 ZINC001363519753 886924940 /nfs/dbraw/zinc/92/49/40/886924940.db2.gz UPVJOZKRODUVGR-UWVGGRQHSA-N 1 2 281.316 -1.028 20 0 CAADLO COCC(=O)NCCC(=O)N[C@H](CO)Cc1c[nH]c[nH+]1 ZINC001363518718 886925225 /nfs/dbraw/zinc/92/52/25/886925225.db2.gz IPGJOYHWJAGDDG-JTQLQIEISA-N 1 2 284.316 -1.418 20 0 CAADLO COCC(=O)NCCC(=O)N[C@H](CO)Cc1c[nH+]c[nH]1 ZINC001363518718 886925236 /nfs/dbraw/zinc/92/52/36/886925236.db2.gz IPGJOYHWJAGDDG-JTQLQIEISA-N 1 2 284.316 -1.418 20 0 CAADLO Cn1c[nH+]cc1CC(=O)N1CC(O)(c2ncnn2C)C1 ZINC001363539405 886931123 /nfs/dbraw/zinc/93/11/23/886931123.db2.gz YGYSSZKFHPDVLC-UHFFFAOYSA-N 1 2 276.300 -1.179 20 0 CAADLO Cc1[nH+]c[nH]c1CC(=O)NC(C)(C)CNS(N)(=O)=O ZINC001363537123 886931354 /nfs/dbraw/zinc/93/13/54/886931354.db2.gz AWBYNWWMCSQSHN-UHFFFAOYSA-N 1 2 289.361 -1.051 20 0 CAADLO O=C(C[C@H]1CCS(=O)(=O)C1)NCC[N@H+]1CC[C@@H](O)C1 ZINC001363552034 886934453 /nfs/dbraw/zinc/93/44/53/886934453.db2.gz MNJZFPMHOFACON-GHMZBOCLSA-N 1 2 290.385 -1.006 20 0 CAADLO O=C(C[C@H]1CCS(=O)(=O)C1)NCC[N@@H+]1CC[C@@H](O)C1 ZINC001363552034 886934459 /nfs/dbraw/zinc/93/44/59/886934459.db2.gz MNJZFPMHOFACON-GHMZBOCLSA-N 1 2 290.385 -1.006 20 0 CAADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H]1CCC(=O)N1 ZINC001363548187 886935378 /nfs/dbraw/zinc/93/53/78/886935378.db2.gz UECQVGUFVHRWTL-IUCAKERBSA-N 1 2 279.300 -1.538 20 0 CAADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H]1CCC(=O)N1 ZINC001363548187 886935392 /nfs/dbraw/zinc/93/53/92/886935392.db2.gz UECQVGUFVHRWTL-IUCAKERBSA-N 1 2 279.300 -1.538 20 0 CAADLO CNC(=O)C[N@@H+]1CCCN(C(=O)[C@H]2NC(=O)O[C@@H]2C)CC1 ZINC001363571723 886936957 /nfs/dbraw/zinc/93/69/57/886936957.db2.gz BOHAGGSTXLDIPF-KOLCDFICSA-N 1 2 298.343 -1.236 20 0 CAADLO CNC(=O)C[N@H+]1CCCN(C(=O)[C@H]2NC(=O)O[C@@H]2C)CC1 ZINC001363571723 886936962 /nfs/dbraw/zinc/93/69/62/886936962.db2.gz BOHAGGSTXLDIPF-KOLCDFICSA-N 1 2 298.343 -1.236 20 0 CAADLO CNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2NC(=O)O[C@@H]2C)CC1 ZINC001363571732 886937019 /nfs/dbraw/zinc/93/70/19/886937019.db2.gz BOHAGGSTXLDIPF-MWLCHTKSSA-N 1 2 298.343 -1.236 20 0 CAADLO CNC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2NC(=O)O[C@@H]2C)CC1 ZINC001363571732 886937026 /nfs/dbraw/zinc/93/70/26/886937026.db2.gz BOHAGGSTXLDIPF-MWLCHTKSSA-N 1 2 298.343 -1.236 20 0 CAADLO CNC(=O)C[N@@H+]1CCCN(C(=O)[C@@](C)(O)COC)CC1 ZINC001363573246 886938349 /nfs/dbraw/zinc/93/83/49/886938349.db2.gz GCNVRSSVAINBIO-ZDUSSCGKSA-N 1 2 287.360 -1.336 20 0 CAADLO CNC(=O)C[N@H+]1CCCN(C(=O)[C@@](C)(O)COC)CC1 ZINC001363573246 886938353 /nfs/dbraw/zinc/93/83/53/886938353.db2.gz GCNVRSSVAINBIO-ZDUSSCGKSA-N 1 2 287.360 -1.336 20 0 CAADLO CNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H](O)C(C)(C)O)CC1 ZINC001363575541 886939857 /nfs/dbraw/zinc/93/98/57/886939857.db2.gz JQSDNKUDDDATOD-LLVKDONJSA-N 1 2 287.360 -1.602 20 0 CAADLO CNC(=O)C[N@H+]1CCCN(C(=O)[C@@H](O)C(C)(C)O)CC1 ZINC001363575541 886939870 /nfs/dbraw/zinc/93/98/70/886939870.db2.gz JQSDNKUDDDATOD-LLVKDONJSA-N 1 2 287.360 -1.602 20 0 CAADLO COC[C@H](NC(=O)[C@H]1C[N@@H+]2CCN1C[C@H]2C)c1nn[nH]n1 ZINC001363591284 886944773 /nfs/dbraw/zinc/94/47/73/886944773.db2.gz SRINGVXUXJUDKD-KXUCPTDWSA-N 1 2 295.347 -1.608 20 0 CAADLO COC[C@H](NC(=O)[C@H]1C[N@H+]2CCN1C[C@H]2C)c1nn[nH]n1 ZINC001363591284 886944784 /nfs/dbraw/zinc/94/47/84/886944784.db2.gz SRINGVXUXJUDKD-KXUCPTDWSA-N 1 2 295.347 -1.608 20 0 CAADLO CCc1[nH]c(CNC(=O)C[C@H](NC(C)=O)C(N)=O)c[nH+]1 ZINC001363618165 886951828 /nfs/dbraw/zinc/95/18/28/886951828.db2.gz UZTMVUBKQOIKHR-VIFPVBQESA-N 1 2 281.316 -1.032 20 0 CAADLO CCc1[nH]cc(CNC(=O)C[C@H](NC(C)=O)C(N)=O)[nH+]1 ZINC001363618165 886951831 /nfs/dbraw/zinc/95/18/31/886951831.db2.gz UZTMVUBKQOIKHR-VIFPVBQESA-N 1 2 281.316 -1.032 20 0 CAADLO Cc1nn(CC(=O)N[C@H](CO)Cc2c[nH]c[nH+]2)c(=O)o1 ZINC001363654333 886955726 /nfs/dbraw/zinc/95/57/26/886955726.db2.gz DKPDGLBYQMWVJX-VIFPVBQESA-N 1 2 281.272 -1.412 20 0 CAADLO Cc1nn(CC(=O)N[C@H](CO)Cc2c[nH+]c[nH]2)c(=O)o1 ZINC001363654333 886955731 /nfs/dbraw/zinc/95/57/31/886955731.db2.gz DKPDGLBYQMWVJX-VIFPVBQESA-N 1 2 281.272 -1.412 20 0 CAADLO O=C(N[C@H](CO)Cc1c[nH]c[nH+]1)[C@@H]1CC(=O)NC(=O)N1 ZINC001363663551 886955874 /nfs/dbraw/zinc/95/58/74/886955874.db2.gz YJZUPOZMFDHFMG-YUMQZZPRSA-N 1 2 281.272 -1.973 20 0 CAADLO O=C(N[C@H](CO)Cc1c[nH+]c[nH]1)[C@@H]1CC(=O)NC(=O)N1 ZINC001363663551 886955881 /nfs/dbraw/zinc/95/58/81/886955881.db2.gz YJZUPOZMFDHFMG-YUMQZZPRSA-N 1 2 281.272 -1.973 20 0 CAADLO Cn1cc(C(=O)N[C@H](CO)Cc2c[nH]c[nH+]2)n(C)c1=O ZINC001363655700 886956220 /nfs/dbraw/zinc/95/62/20/886956220.db2.gz HIIZVDFZZYPBTC-VIFPVBQESA-N 1 2 279.300 -1.220 20 0 CAADLO Cn1cc(C(=O)N[C@H](CO)Cc2c[nH+]c[nH]2)n(C)c1=O ZINC001363655700 886956228 /nfs/dbraw/zinc/95/62/28/886956228.db2.gz HIIZVDFZZYPBTC-VIFPVBQESA-N 1 2 279.300 -1.220 20 0 CAADLO C[C@]1(CO)C[N@@H+](Cc2cn(CC(N)=O)nn2)C[C@@]1(C)CO ZINC001363675740 886960423 /nfs/dbraw/zinc/96/04/23/886960423.db2.gz GEFOFNNZNALOFA-BETUJISGSA-N 1 2 297.359 -1.424 20 0 CAADLO C[C@]1(CO)C[N@H+](Cc2cn(CC(N)=O)nn2)C[C@@]1(C)CO ZINC001363675740 886960431 /nfs/dbraw/zinc/96/04/31/886960431.db2.gz GEFOFNNZNALOFA-BETUJISGSA-N 1 2 297.359 -1.424 20 0 CAADLO COC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)CN1CCOCC1 ZINC001363720581 886965598 /nfs/dbraw/zinc/96/55/98/886965598.db2.gz FOVBIKZLCDALGD-LLVKDONJSA-N 1 2 296.327 -1.058 20 0 CAADLO COC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)CN1CCOCC1 ZINC001363720581 886965605 /nfs/dbraw/zinc/96/56/05/886965605.db2.gz FOVBIKZLCDALGD-LLVKDONJSA-N 1 2 296.327 -1.058 20 0 CAADLO COC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)Cn1cnnn1 ZINC001363719194 886967266 /nfs/dbraw/zinc/96/72/66/886967266.db2.gz BSPXMKOVMOZHHR-MRVPVSSYSA-N 1 2 279.260 -1.703 20 0 CAADLO COC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)Cn1cnnn1 ZINC001363719194 886967278 /nfs/dbraw/zinc/96/72/78/886967278.db2.gz BSPXMKOVMOZHHR-MRVPVSSYSA-N 1 2 279.260 -1.703 20 0 CAADLO CCCN(CC(=O)NC)S(=O)(=O)N1CC[NH+](C)CC1 ZINC001363754376 886972584 /nfs/dbraw/zinc/97/25/84/886972584.db2.gz STUYRDFEDJYLQY-UHFFFAOYSA-N 1 2 292.405 -1.063 20 0 CAADLO Cn1cc(S(=O)(=O)NCCn2cc[nH+]c2)c(=O)[nH]c1=O ZINC001363747604 886973154 /nfs/dbraw/zinc/97/31/54/886973154.db2.gz LBSLMTIDDHJFNR-UHFFFAOYSA-N 1 2 299.312 -1.339 20 0 CAADLO C[C@@H](Cn1cc[nH+]c1)NS(=O)(=O)[C@@H]1COC[C@H]1O ZINC001363752846 886973819 /nfs/dbraw/zinc/97/38/19/886973819.db2.gz MUSFQRKFKLQYNX-IVZWLZJFSA-N 1 2 275.330 -1.049 20 0 CAADLO CC(=O)N1CCC(NC(=O)C[N@@H+]2C[C@@H](O)[C@@H](O)C2)CC1 ZINC001363773680 886976613 /nfs/dbraw/zinc/97/66/13/886976613.db2.gz KWKXRPHXHOXVRO-TXEJJXNPSA-N 1 2 285.344 -1.849 20 0 CAADLO CC(=O)N1CCC(NC(=O)C[N@H+]2C[C@@H](O)[C@@H](O)C2)CC1 ZINC001363773680 886976606 /nfs/dbraw/zinc/97/66/06/886976606.db2.gz KWKXRPHXHOXVRO-TXEJJXNPSA-N 1 2 285.344 -1.849 20 0 CAADLO CC[C@H]1C(=O)NCCN1S(=O)(=O)N1CC[NH+](C)CC1 ZINC001363761527 886976813 /nfs/dbraw/zinc/97/68/13/886976813.db2.gz JCTHSBOFYYNHCA-JTQLQIEISA-N 1 2 290.389 -1.311 20 0 CAADLO NC(=O)C[C@@H]1CC[N@H+](Cc2cc(=O)n3[nH]c(N)nc3n2)C1 ZINC001363797244 886979954 /nfs/dbraw/zinc/97/99/54/886979954.db2.gz OMUJWTSPSKBAMC-ZETCQYMHSA-N 1 2 291.315 -1.303 20 0 CAADLO CS(=O)(=O)C[C@H](O)CNC(=O)CC[N@@H+]1CC[C@H](F)C1 ZINC001363781734 886980021 /nfs/dbraw/zinc/98/00/21/886980021.db2.gz OJZROVNZAKGFTO-VHSXEESVSA-N 1 2 296.364 -1.058 20 0 CAADLO CS(=O)(=O)C[C@H](O)CNC(=O)CC[N@H+]1CC[C@H](F)C1 ZINC001363781734 886980025 /nfs/dbraw/zinc/98/00/25/886980025.db2.gz OJZROVNZAKGFTO-VHSXEESVSA-N 1 2 296.364 -1.058 20 0 CAADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CC1OCCO1 ZINC001363798852 886983351 /nfs/dbraw/zinc/98/33/51/886983351.db2.gz FWAZOCMVJOQIDF-VIFPVBQESA-N 1 2 282.300 -1.054 20 0 CAADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CC1OCCO1 ZINC001363798852 886983365 /nfs/dbraw/zinc/98/33/65/886983365.db2.gz FWAZOCMVJOQIDF-VIFPVBQESA-N 1 2 282.300 -1.054 20 0 CAADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CCn1cncn1 ZINC001363800068 886984231 /nfs/dbraw/zinc/98/42/31/886984231.db2.gz JHCANMCMYYPECR-JTQLQIEISA-N 1 2 291.315 -1.135 20 0 CAADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CCn1cncn1 ZINC001363800068 886984239 /nfs/dbraw/zinc/98/42/39/886984239.db2.gz JHCANMCMYYPECR-JTQLQIEISA-N 1 2 291.315 -1.135 20 0 CAADLO C[N@@H+]1CCO[C@H](C(=O)NC(C)(C)CNS(N)(=O)=O)C1 ZINC001363830496 886990110 /nfs/dbraw/zinc/99/01/10/886990110.db2.gz NWEGTCGKGGGCOJ-QMMMGPOBSA-N 1 2 294.377 -1.995 20 0 CAADLO C[N@H+]1CCO[C@H](C(=O)NC(C)(C)CNS(N)(=O)=O)C1 ZINC001363830496 886990120 /nfs/dbraw/zinc/99/01/20/886990120.db2.gz NWEGTCGKGGGCOJ-QMMMGPOBSA-N 1 2 294.377 -1.995 20 0 CAADLO CC(C)(O)C[C@@H](O)C[NH+]1CCN(S(N)(=O)=O)CC1 ZINC001363819306 886992094 /nfs/dbraw/zinc/99/20/94/886992094.db2.gz QZSTYFLJARHWJB-SECBINFHSA-N 1 2 281.378 -1.671 20 0 CAADLO O=C(C[N@H+]1CCN2CCOC[C@@]2(CO)C1)NCC1CC1 ZINC001363849537 886993786 /nfs/dbraw/zinc/99/37/86/886993786.db2.gz VBUZCXYGMWPPQS-AWEZNQCLSA-N 1 2 283.372 -1.109 20 0 CAADLO O=C(C[N@@H+]1CCN2CCOC[C@@]2(CO)C1)NCC1CC1 ZINC001363849537 886993795 /nfs/dbraw/zinc/99/37/95/886993795.db2.gz VBUZCXYGMWPPQS-AWEZNQCLSA-N 1 2 283.372 -1.109 20 0 CAADLO NC(=O)Cn1cc(C[NH2+]CC(=O)NCc2ccco2)nn1 ZINC001363849878 886995454 /nfs/dbraw/zinc/99/54/54/886995454.db2.gz MOPAOASUEXOOKD-UHFFFAOYSA-N 1 2 292.299 -1.238 20 0 CAADLO CNC(=O)CN(CC(=O)NC)C(=O)CCc1[nH]cc[nH+]1 ZINC001363885989 886997583 /nfs/dbraw/zinc/99/75/83/886997583.db2.gz HQOCBLUQZUXXRM-UHFFFAOYSA-N 1 2 281.316 -1.337 20 0 CAADLO CC(C)CN(CC(N)=O)S(=O)(=O)N1CC[NH+](C)CC1 ZINC001363952840 887008638 /nfs/dbraw/zinc/00/86/38/887008638.db2.gz KIHZCLFCSGJKNU-UHFFFAOYSA-N 1 2 292.405 -1.078 20 0 CAADLO CCC[C@H](NS(=O)(=O)N1CC[NH+](C)CC1)C(N)=O ZINC001363977970 887011177 /nfs/dbraw/zinc/01/11/77/887011177.db2.gz BMCAOTNCYYZMHV-VIFPVBQESA-N 1 2 278.378 -1.278 20 0 CAADLO O=C(Cc1nnc[nH]1)NC[C@@]1(CO)COC[C@@H]2CCC[N@@H+]21 ZINC001363969826 887013318 /nfs/dbraw/zinc/01/33/18/887013318.db2.gz GPDKUWDCZZBERF-GXFFZTMASA-N 1 2 295.343 -1.311 20 0 CAADLO O=C(Cc1nnc[nH]1)NC[C@@]1(CO)COC[C@@H]2CCC[N@H+]21 ZINC001363969826 887013337 /nfs/dbraw/zinc/01/33/37/887013337.db2.gz GPDKUWDCZZBERF-GXFFZTMASA-N 1 2 295.343 -1.311 20 0 CAADLO COC(=O)[C@@H](CF)NS(=O)(=O)N1CC[NH+](C)CC1 ZINC001363993403 887014855 /nfs/dbraw/zinc/01/48/55/887014855.db2.gz FXJNKPVNDZHMAH-MRVPVSSYSA-N 1 2 283.325 -1.421 20 0 CAADLO C[C@H]1C[C@@H](NS(=O)(=O)N2CC[NH+](C)CC2)C(=O)O1 ZINC001363997700 887016464 /nfs/dbraw/zinc/01/64/64/887016464.db2.gz KRUUZIQNDACGTR-DTWKUNHWSA-N 1 2 277.346 -1.228 20 0 CAADLO COC[C@H](NC(=O)C1CN(C)CC[N@H+](C)C1)c1nn[nH]n1 ZINC001364025625 887021622 /nfs/dbraw/zinc/02/16/22/887021622.db2.gz IDDMBBXNEVEVAI-JTQLQIEISA-N 1 2 297.363 -1.503 20 0 CAADLO COC[C@H](NC(=O)C1CN(C)CC[N@@H+](C)C1)c1nn[nH]n1 ZINC001364025625 887021652 /nfs/dbraw/zinc/02/16/52/887021652.db2.gz IDDMBBXNEVEVAI-JTQLQIEISA-N 1 2 297.363 -1.503 20 0 CAADLO Cn1cc(C(=O)NC[C@@H](O)c2c[nH+]c[nH]2)c(=O)n(C)c1=O ZINC001364035733 887021802 /nfs/dbraw/zinc/02/18/02/887021802.db2.gz RKTACHHXERUQTH-SECBINFHSA-N 1 2 293.283 -1.730 20 0 CAADLO Cn1cc(C(=O)NC[C@H](O)c2c[nH+]c[nH]2)c(=O)n(C)c1=O ZINC001364035739 887022407 /nfs/dbraw/zinc/02/24/07/887022407.db2.gz RKTACHHXERUQTH-VIFPVBQESA-N 1 2 293.283 -1.730 20 0 CAADLO CCN(C)S(=O)(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC ZINC001364025447 887024439 /nfs/dbraw/zinc/02/44/39/887024439.db2.gz MKDMNUMYBTXZIS-VIFPVBQESA-N 1 2 289.361 -1.147 20 0 CAADLO CCN(C)S(=O)(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC ZINC001364025447 887024447 /nfs/dbraw/zinc/02/44/47/887024447.db2.gz MKDMNUMYBTXZIS-VIFPVBQESA-N 1 2 289.361 -1.147 20 0 CAADLO C[C@@H](C[NH+]1CCOCC1)C(=O)NCc1n[nH]c(CO)n1 ZINC001364104281 887032438 /nfs/dbraw/zinc/03/24/38/887032438.db2.gz VGZWZNFJFPZXKN-VIFPVBQESA-N 1 2 283.332 -1.119 20 0 CAADLO COC(=O)[C@H]1CCN1S(=O)(=O)N1CC[NH+](C)CC1 ZINC001364120746 887036464 /nfs/dbraw/zinc/03/64/64/887036464.db2.gz XLCPHQVCOZCSOP-SECBINFHSA-N 1 2 277.346 -1.274 20 0 CAADLO Cn1c(=O)cc(N2CC[NH+](C(C)(C)C(N)=O)CC2)[nH]c1=O ZINC001364179583 887042650 /nfs/dbraw/zinc/04/26/50/887042650.db2.gz XIAMBBKKZDMHTR-UHFFFAOYSA-N 1 2 295.343 -1.128 20 0 CAADLO CNS(=O)(=O)NCC(=O)N[C@@H](CO)c1c[nH+]cn1C ZINC001364189358 887042938 /nfs/dbraw/zinc/04/29/38/887042938.db2.gz CBZQJUFUXXQUSD-ZETCQYMHSA-N 1 2 291.333 -2.377 20 0 CAADLO Cn1c[nH+]cc1[C@H](CO)NC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001364190600 887043034 /nfs/dbraw/zinc/04/30/34/887043034.db2.gz DWQPPEOBIWMPDI-YUMQZZPRSA-N 1 2 288.329 -1.739 20 0 CAADLO Cn1c[nH+]cc1[C@@H](CO)NC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001364190537 887043473 /nfs/dbraw/zinc/04/34/73/887043473.db2.gz DWQPPEOBIWMPDI-JGVFFNPUSA-N 1 2 288.329 -1.739 20 0 CAADLO COC(=O)[C@H](Cn1cncn1)NC(=O)Cc1c[nH+]cn1C ZINC001364318825 887062196 /nfs/dbraw/zinc/06/21/96/887062196.db2.gz JWRRTKVCLASVSQ-JTQLQIEISA-N 1 2 292.299 -1.088 20 0 CAADLO C[C@H](O)C[N@H+](Cc1nnc2c(=O)[nH]ccn12)[C@@H](C)CO ZINC001364381976 887073698 /nfs/dbraw/zinc/07/36/98/887073698.db2.gz SESMLJHGFRNEND-IUCAKERBSA-N 1 2 281.316 -1.019 20 0 CAADLO C[C@H](O)C[N@@H+](Cc1nnc2c(=O)[nH]ccn12)[C@@H](C)CO ZINC001364381976 887073711 /nfs/dbraw/zinc/07/37/11/887073711.db2.gz SESMLJHGFRNEND-IUCAKERBSA-N 1 2 281.316 -1.019 20 0 CAADLO C[C@H](CO)[N@@H+](Cc1nnc2c(=O)[nH]ccn12)C[C@H](C)O ZINC001364381963 887074602 /nfs/dbraw/zinc/07/46/02/887074602.db2.gz SESMLJHGFRNEND-BDAKNGLRSA-N 1 2 281.316 -1.019 20 0 CAADLO C[C@H](CO)[N@H+](Cc1nnc2c(=O)[nH]ccn12)C[C@H](C)O ZINC001364381963 887074621 /nfs/dbraw/zinc/07/46/21/887074621.db2.gz SESMLJHGFRNEND-BDAKNGLRSA-N 1 2 281.316 -1.019 20 0 CAADLO CS(=O)(=O)[C@H]1CC[N@H+](CC2CN(S(C)(=O)=O)C2)C1 ZINC001364388521 887076749 /nfs/dbraw/zinc/07/67/49/887076749.db2.gz UUSHWDQTQFXMCD-JTQLQIEISA-N 1 2 296.414 -1.003 20 0 CAADLO CS(=O)(=O)[C@H]1CC[N@@H+](CC2CN(S(C)(=O)=O)C2)C1 ZINC001364388521 887076761 /nfs/dbraw/zinc/07/67/61/887076761.db2.gz UUSHWDQTQFXMCD-JTQLQIEISA-N 1 2 296.414 -1.003 20 0 CAADLO O=C(C[N@H+]1C[C@H](CO)[C@H](O)C1)NCC(=O)N1CCCC1 ZINC001364419500 887078039 /nfs/dbraw/zinc/07/80/39/887078039.db2.gz WTARLBYMIKNPTB-GHMZBOCLSA-N 1 2 285.344 -1.990 20 0 CAADLO O=C(C[N@@H+]1C[C@H](CO)[C@H](O)C1)NCC(=O)N1CCCC1 ZINC001364419500 887078053 /nfs/dbraw/zinc/07/80/53/887078053.db2.gz WTARLBYMIKNPTB-GHMZBOCLSA-N 1 2 285.344 -1.990 20 0 CAADLO CO[C@@H]1CS(=O)(=O)C[C@@H]1[N@@H+]1CC[C@@H](CO)[C@H](O)C1 ZINC001364405227 887078722 /nfs/dbraw/zinc/07/87/22/887078722.db2.gz SNPRBDBXFCJGOG-UKKRHICBSA-N 1 2 279.358 -1.527 20 0 CAADLO CO[C@@H]1CS(=O)(=O)C[C@@H]1[N@H+]1CC[C@@H](CO)[C@H](O)C1 ZINC001364405227 887078735 /nfs/dbraw/zinc/07/87/35/887078735.db2.gz SNPRBDBXFCJGOG-UKKRHICBSA-N 1 2 279.358 -1.527 20 0 CAADLO CNS(=O)(=O)N1CC[NH+](C[C@@](C)(O)C(C)=O)CC1 ZINC001364414843 887079678 /nfs/dbraw/zinc/07/96/78/887079678.db2.gz JFQNBVZZFVLJKG-SNVBAGLBSA-N 1 2 279.362 -1.592 20 0 CAADLO CO[C@@H]1CS(=O)(=O)C[C@@H]1[N@@H+]1CC[C@H](CO)[C@@H](O)C1 ZINC001364405230 887079929 /nfs/dbraw/zinc/07/99/29/887079929.db2.gz SNPRBDBXFCJGOG-VPOLOUISSA-N 1 2 279.358 -1.527 20 0 CAADLO CO[C@@H]1CS(=O)(=O)C[C@@H]1[N@H+]1CC[C@H](CO)[C@@H](O)C1 ZINC001364405230 887079937 /nfs/dbraw/zinc/07/99/37/887079937.db2.gz SNPRBDBXFCJGOG-VPOLOUISSA-N 1 2 279.358 -1.527 20 0 CAADLO C[C@@H]1C[N@H+](CCN2CCN(CC(N)=O)C(=O)C2)CCO1 ZINC001364435175 887082193 /nfs/dbraw/zinc/08/21/93/887082193.db2.gz JGJGUQZGNOSCPY-LLVKDONJSA-N 1 2 284.360 -1.663 20 0 CAADLO C[C@@H]1C[N@@H+](CCN2CCN(CC(N)=O)C(=O)C2)CCO1 ZINC001364435175 887082201 /nfs/dbraw/zinc/08/22/01/887082201.db2.gz JGJGUQZGNOSCPY-LLVKDONJSA-N 1 2 284.360 -1.663 20 0 CAADLO C[C@H](c1nc(N)nc(N(C)C)n1)[N@H+]1C[C@H](CO)[C@H](O)C1 ZINC001364434456 887083215 /nfs/dbraw/zinc/08/32/15/887083215.db2.gz DZODPRBRLXOQMH-IWSPIJDZSA-N 1 2 282.348 -1.134 20 0 CAADLO C[C@H](c1nc(N)nc(N(C)C)n1)[N@@H+]1C[C@H](CO)[C@H](O)C1 ZINC001364434456 887083231 /nfs/dbraw/zinc/08/32/31/887083231.db2.gz DZODPRBRLXOQMH-IWSPIJDZSA-N 1 2 282.348 -1.134 20 0 CAADLO C[C@H](c1nc(N)nc(N(C)C)n1)[N@@H+]1C[C@H](O)[C@H](CO)C1 ZINC001364434457 887084546 /nfs/dbraw/zinc/08/45/46/887084546.db2.gz DZODPRBRLXOQMH-VGMNWLOBSA-N 1 2 282.348 -1.134 20 0 CAADLO C[C@H](c1nc(N)nc(N(C)C)n1)[N@H+]1C[C@H](O)[C@H](CO)C1 ZINC001364434457 887084560 /nfs/dbraw/zinc/08/45/60/887084560.db2.gz DZODPRBRLXOQMH-VGMNWLOBSA-N 1 2 282.348 -1.134 20 0 CAADLO CNC(=O)Cc1noc(C[N@@H+]2C[C@H](O)C[C@@]2(C)CO)n1 ZINC001364450177 887086465 /nfs/dbraw/zinc/08/64/65/887086465.db2.gz MTZZJABJRUPSMK-PELKAZGASA-N 1 2 284.316 -1.324 20 0 CAADLO CNC(=O)Cc1noc(C[N@H+]2C[C@H](O)C[C@@]2(C)CO)n1 ZINC001364450177 887086482 /nfs/dbraw/zinc/08/64/82/887086482.db2.gz MTZZJABJRUPSMK-PELKAZGASA-N 1 2 284.316 -1.324 20 0 CAADLO CNC(=O)[C@H]1CC[N@@H+](Cc2nnc3c(=O)n(C)ccn23)C1 ZINC001364448540 887087923 /nfs/dbraw/zinc/08/79/23/887087923.db2.gz ZZLCFAUVNYBEJY-VIFPVBQESA-N 1 2 290.327 -1.004 20 0 CAADLO CNC(=O)[C@H]1CC[N@H+](Cc2nnc3c(=O)n(C)ccn23)C1 ZINC001364448540 887087917 /nfs/dbraw/zinc/08/79/17/887087917.db2.gz ZZLCFAUVNYBEJY-VIFPVBQESA-N 1 2 290.327 -1.004 20 0 CAADLO Cn1cncc1C[NH2+]C1(C(N)=O)CCS(=O)(=O)CC1 ZINC001364488230 887095131 /nfs/dbraw/zinc/09/51/31/887095131.db2.gz DEQIGQAAELMJFU-UHFFFAOYSA-N 1 2 286.357 -1.058 20 0 CAADLO CC(=O)N1CCC(NC(=O)C[N@@H+]2CC[C@@H](O)[C@@H](O)C2)CC1 ZINC001364475552 887095248 /nfs/dbraw/zinc/09/52/48/887095248.db2.gz MYTRQUCIQSZPCM-OLZOCXBDSA-N 1 2 299.371 -1.459 20 0 CAADLO CC(=O)N1CCC(NC(=O)C[N@H+]2CC[C@@H](O)[C@@H](O)C2)CC1 ZINC001364475552 887095260 /nfs/dbraw/zinc/09/52/60/887095260.db2.gz MYTRQUCIQSZPCM-OLZOCXBDSA-N 1 2 299.371 -1.459 20 0 CAADLO COC[C@H](O)CCNS(=O)(=O)N1CC[NH+](C)CC1 ZINC001364814277 887139401 /nfs/dbraw/zinc/13/94/01/887139401.db2.gz LUBVBEKBSIBJIB-SNVBAGLBSA-N 1 2 281.378 -1.534 20 0 CAADLO NS(=O)(=O)c1cc(C[N@@H+]2C[C@H](CO)[C@H](CO)C2)co1 ZINC001364490709 887099067 /nfs/dbraw/zinc/09/90/67/887099067.db2.gz WXFPPYOYEWXUSR-AOOOYVTPSA-N 1 2 290.341 -1.040 20 0 CAADLO NS(=O)(=O)c1cc(C[N@H+]2C[C@H](CO)[C@H](CO)C2)co1 ZINC001364490709 887099082 /nfs/dbraw/zinc/09/90/82/887099082.db2.gz WXFPPYOYEWXUSR-AOOOYVTPSA-N 1 2 290.341 -1.040 20 0 CAADLO CCN(C)C(=O)C[N@@H+]1CCN2CCOC[C@@]2(CO)C1 ZINC001364526952 887103146 /nfs/dbraw/zinc/10/31/46/887103146.db2.gz ASNXSKBWQYKXTL-ZDUSSCGKSA-N 1 2 271.361 -1.156 20 0 CAADLO CCN(C)C(=O)C[N@H+]1CCN2CCOC[C@@]2(CO)C1 ZINC001364526952 887103152 /nfs/dbraw/zinc/10/31/52/887103152.db2.gz ASNXSKBWQYKXTL-ZDUSSCGKSA-N 1 2 271.361 -1.156 20 0 CAADLO Cn1ncnc1C1(O)CN(C(=O)NCCn2cc[nH+]c2)C1 ZINC001364516301 887103362 /nfs/dbraw/zinc/10/33/62/887103362.db2.gz CKBIHDCQPNSFMD-UHFFFAOYSA-N 1 2 291.315 -1.075 20 0 CAADLO Cn1cnnc1COCC(=O)N[C@H](CO)Cc1c[nH]c[nH+]1 ZINC001364541030 887104147 /nfs/dbraw/zinc/10/41/47/887104147.db2.gz TYJFOQHTLPCJRC-JTQLQIEISA-N 1 2 294.315 -1.225 20 0 CAADLO Cn1cnnc1COCC(=O)N[C@H](CO)Cc1c[nH+]c[nH]1 ZINC001364541030 887104157 /nfs/dbraw/zinc/10/41/57/887104157.db2.gz TYJFOQHTLPCJRC-JTQLQIEISA-N 1 2 294.315 -1.225 20 0 CAADLO O=C(CN1CCC(=O)NC1=O)N[C@H](CO)Cc1c[nH]c[nH+]1 ZINC001364532049 887104440 /nfs/dbraw/zinc/10/44/40/887104440.db2.gz ZGAITRDZGCNWKZ-VIFPVBQESA-N 1 2 295.299 -1.629 20 0 CAADLO O=C(CN1CCC(=O)NC1=O)N[C@H](CO)Cc1c[nH+]c[nH]1 ZINC001364532049 887104453 /nfs/dbraw/zinc/10/44/53/887104453.db2.gz ZGAITRDZGCNWKZ-VIFPVBQESA-N 1 2 295.299 -1.629 20 0 CAADLO CC(C)(C[NH2+]Cc1cn(CC(N)=O)nn1)S(C)(=O)=O ZINC001364578613 887111791 /nfs/dbraw/zinc/11/17/91/887111791.db2.gz FYGKORIMCYNISG-UHFFFAOYSA-N 1 2 289.361 -1.324 20 0 CAADLO O=C1CC2(CN(c3ccc4nnnn4n3)C2)[NH2+]CCN1 ZINC001364585298 887112006 /nfs/dbraw/zinc/11/20/06/887112006.db2.gz MZSQLAKVKPQPTK-UHFFFAOYSA-N 1 2 274.288 -1.812 20 0 CAADLO C[C@H]([NH2+]Cc1cn(CC(N)=O)nn1)C(=O)N1CCCC1 ZINC001364626715 887116896 /nfs/dbraw/zinc/11/68/96/887116896.db2.gz KQRPEGHRJUANDM-VIFPVBQESA-N 1 2 280.332 -1.136 20 0 CAADLO Nc1nc2nc(CN3C[C@H]4C[NH2+]C[C@@H]4C3)cc(=O)n2[nH]1 ZINC001364624050 887118004 /nfs/dbraw/zinc/11/80/04/887118004.db2.gz QMDVJEBKNBNPTR-HTQZYQBOSA-N 1 2 275.316 -1.349 20 0 CAADLO COCC(=O)N1CC2(C1)CC[N@H+](Cc1nc(=O)n(C)[nH]1)C2 ZINC001364647595 887118247 /nfs/dbraw/zinc/11/82/47/887118247.db2.gz ZOYSETKHKRICAY-UHFFFAOYSA-N 1 2 295.343 -1.211 20 0 CAADLO COCC(=O)N1CC2(C1)CC[N@@H+](Cc1nc(=O)n(C)[nH]1)C2 ZINC001364647595 887118251 /nfs/dbraw/zinc/11/82/51/887118251.db2.gz ZOYSETKHKRICAY-UHFFFAOYSA-N 1 2 295.343 -1.211 20 0 CAADLO COCC[N@H+](CCC(=O)OC)Cc1cn(CC(N)=O)nn1 ZINC001364685716 887120674 /nfs/dbraw/zinc/12/06/74/887120674.db2.gz XKGBPHPDYJRGDM-UHFFFAOYSA-N 1 2 299.331 -1.225 20 0 CAADLO COCC[N@@H+](CCC(=O)OC)Cc1cn(CC(N)=O)nn1 ZINC001364685716 887120682 /nfs/dbraw/zinc/12/06/82/887120682.db2.gz XKGBPHPDYJRGDM-UHFFFAOYSA-N 1 2 299.331 -1.225 20 0 CAADLO COC(=O)[C@@H]1OCC[C@@H]1[NH2+]Cc1cn(CC(N)=O)nn1 ZINC001364700307 887123052 /nfs/dbraw/zinc/12/30/52/887123052.db2.gz WZQXQPPJLGCKOF-WCBMZHEXSA-N 1 2 283.288 -1.817 20 0 CAADLO C[C@]1(C(N)=O)CC[N@H+](Cc2cc(=O)n3[nH]c(N)nc3n2)C1 ZINC001364689823 887123853 /nfs/dbraw/zinc/12/38/53/887123853.db2.gz HGNAWUOHERXADO-LBPRGKRZSA-N 1 2 291.315 -1.303 20 0 CAADLO C[C@]1(C(N)=O)CC[N@@H+](Cc2cc(=O)n3[nH]c(N)nc3n2)C1 ZINC001364689823 887123863 /nfs/dbraw/zinc/12/38/63/887123863.db2.gz HGNAWUOHERXADO-LBPRGKRZSA-N 1 2 291.315 -1.303 20 0 CAADLO CNC(=O)Cc1noc(C[N@H+](C[C@H](C)O)[C@@H](C)CO)n1 ZINC001364696004 887123979 /nfs/dbraw/zinc/12/39/79/887123979.db2.gz YFFGSTOJMYXVGL-IUCAKERBSA-N 1 2 286.332 -1.078 20 0 CAADLO CNC(=O)Cc1noc(C[N@@H+](C[C@H](C)O)[C@@H](C)CO)n1 ZINC001364696004 887123996 /nfs/dbraw/zinc/12/39/96/887123996.db2.gz YFFGSTOJMYXVGL-IUCAKERBSA-N 1 2 286.332 -1.078 20 0 CAADLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@H](CO)NC(N)=O ZINC001364716651 887126979 /nfs/dbraw/zinc/12/69/79/887126979.db2.gz FELDTWOXSDKYRS-NXEZZACHSA-N 1 2 288.348 -1.757 20 0 CAADLO CC[C@@H]1COCC[N@H+]1CCNC(=O)[C@@H](CO)NC(N)=O ZINC001364716651 887126985 /nfs/dbraw/zinc/12/69/85/887126985.db2.gz FELDTWOXSDKYRS-NXEZZACHSA-N 1 2 288.348 -1.757 20 0 CAADLO CC[C@H]1COCC[N@@H+]1CCNC(=O)[C@@H](CO)NC(N)=O ZINC001364716658 887127244 /nfs/dbraw/zinc/12/72/44/887127244.db2.gz FELDTWOXSDKYRS-VHSXEESVSA-N 1 2 288.348 -1.757 20 0 CAADLO CC[C@H]1COCC[N@H+]1CCNC(=O)[C@@H](CO)NC(N)=O ZINC001364716658 887127249 /nfs/dbraw/zinc/12/72/49/887127249.db2.gz FELDTWOXSDKYRS-VHSXEESVSA-N 1 2 288.348 -1.757 20 0 CAADLO NC(=O)Cn1cc(C[NH+]2CCC([C@@H](F)C(N)=O)CC2)nn1 ZINC001364748292 887128910 /nfs/dbraw/zinc/12/89/10/887128910.db2.gz XULWLXDVHVNRHM-LLVKDONJSA-N 1 2 298.322 -1.201 20 0 CAADLO NC(=O)Cn1cc(C[NH+]2CCC([C@H](F)C(N)=O)CC2)nn1 ZINC001364748293 887129294 /nfs/dbraw/zinc/12/92/94/887129294.db2.gz XULWLXDVHVNRHM-NSHDSACASA-N 1 2 298.322 -1.201 20 0 CAADLO CCNC(=O)CN(CC)S(=O)(=O)N1CC[NH+](C)CC1 ZINC001364750274 887129752 /nfs/dbraw/zinc/12/97/52/887129752.db2.gz KYTDOVMVBZLACQ-UHFFFAOYSA-N 1 2 292.405 -1.063 20 0 CAADLO CCS(=O)(=O)NCC[N@H+](CC(N)=O)C1CCOCC1 ZINC001364789601 887135145 /nfs/dbraw/zinc/13/51/45/887135145.db2.gz FGCZCXDMPJTZJH-UHFFFAOYSA-N 1 2 293.389 -1.108 20 0 CAADLO CCS(=O)(=O)NCC[N@@H+](CC(N)=O)C1CCOCC1 ZINC001364789601 887135147 /nfs/dbraw/zinc/13/51/47/887135147.db2.gz FGCZCXDMPJTZJH-UHFFFAOYSA-N 1 2 293.389 -1.108 20 0 CAADLO C[C@@H]1C(=O)NCCN1S(=O)(=O)N1CC[NH+](C)CC1 ZINC001364798993 887136577 /nfs/dbraw/zinc/13/65/77/887136577.db2.gz RYHIDUGGPLCZDO-SECBINFHSA-N 1 2 276.362 -1.701 20 0 CAADLO NS(=O)(=O)CCC[N@@H+]1CCC[C@@H]2OCCNC(=O)[C@@H]21 ZINC001364786326 887135805 /nfs/dbraw/zinc/13/58/05/887135805.db2.gz WCQCMKYXXNFSFU-VHSXEESVSA-N 1 2 291.373 -1.356 20 0 CAADLO NS(=O)(=O)CCC[N@H+]1CCC[C@@H]2OCCNC(=O)[C@@H]21 ZINC001364786326 887135819 /nfs/dbraw/zinc/13/58/19/887135819.db2.gz WCQCMKYXXNFSFU-VHSXEESVSA-N 1 2 291.373 -1.356 20 0 CAADLO NS(=O)(=O)CCC[N@@H+]1CCC[C@@H]2OCCNC(=O)[C@H]21 ZINC001364786324 887136868 /nfs/dbraw/zinc/13/68/68/887136868.db2.gz WCQCMKYXXNFSFU-UWVGGRQHSA-N 1 2 291.373 -1.356 20 0 CAADLO NS(=O)(=O)CCC[N@H+]1CCC[C@@H]2OCCNC(=O)[C@H]21 ZINC001364786324 887136871 /nfs/dbraw/zinc/13/68/71/887136871.db2.gz WCQCMKYXXNFSFU-UWVGGRQHSA-N 1 2 291.373 -1.356 20 0 CAADLO Cn1nccc1C[NH2+]C1(C(N)=O)CCS(=O)(=O)CC1 ZINC001364785600 887136988 /nfs/dbraw/zinc/13/69/88/887136988.db2.gz RPGGBPSWTHEVMB-UHFFFAOYSA-N 1 2 286.357 -1.058 20 0 CAADLO Cn1[nH]c(C[NH2+][C@H]2C(=O)NCC23CCOCC3)nc1=O ZINC001364816611 887139613 /nfs/dbraw/zinc/13/96/13/887139613.db2.gz COLKLNUQJDMURT-VIFPVBQESA-N 1 2 281.316 -1.507 20 0 CAADLO COC[C@@H](NC(=O)C1C[NH+]([C@H]2CCOC2)C1)c1nn[nH]n1 ZINC001364813655 887139672 /nfs/dbraw/zinc/13/96/72/887139672.db2.gz JRIJQRPLIMKTSQ-VHSXEESVSA-N 1 2 296.331 -1.276 20 0 CAADLO O=S(=O)(N[C@H]1CCn2cc[nH+]c2C1)[C@@H]1COC[C@H]1O ZINC001364827655 887141686 /nfs/dbraw/zinc/14/16/86/887141686.db2.gz XGEACWPDXRMHKU-IVZWLZJFSA-N 1 2 287.341 -1.123 20 0 CAADLO CNC(=O)[C@@H](O)CNS(=O)(=O)N1CC[NH+](C)CC1 ZINC001364824479 887143572 /nfs/dbraw/zinc/14/35/72/887143572.db2.gz WBKQKWQIZFJYPE-QMMMGPOBSA-N 1 2 280.350 -2.825 20 0 CAADLO C[C@H]1CN(S(=O)(=O)N2CC[NH+](C)CC2)CC(=O)N1C ZINC001364854577 887145222 /nfs/dbraw/zinc/14/52/22/887145222.db2.gz MULWMYSNKFUGAN-JTQLQIEISA-N 1 2 290.389 -1.359 20 0 CAADLO CNC(=O)[C@@H](NS(=O)(=O)N1CC[NH+](C)CC1)C(C)C ZINC001364857059 887145831 /nfs/dbraw/zinc/14/58/31/887145831.db2.gz HBWOBJJCMVIEES-JTQLQIEISA-N 1 2 292.405 -1.161 20 0 CAADLO CNC(=O)[C@H](CO)NS(=O)(=O)CCn1cc[nH+]c1 ZINC001364839370 887145850 /nfs/dbraw/zinc/14/58/50/887145850.db2.gz UTRGSZNCIQIANG-QMMMGPOBSA-N 1 2 276.318 -2.091 20 0 CAADLO O=S(=O)(CCn1cc[nH+]c1)N1CC[C@H](O)[C@H](CO)C1 ZINC001364869008 887148100 /nfs/dbraw/zinc/14/81/00/887148100.db2.gz YBAMXTDIJGJPGN-QWRGUYRKSA-N 1 2 289.357 -1.112 20 0 CAADLO O=S(=O)(CCn1cc[nH+]c1)N1CC[C@@H](O)[C@@H](CO)C1 ZINC001364869003 887148645 /nfs/dbraw/zinc/14/86/45/887148645.db2.gz YBAMXTDIJGJPGN-GHMZBOCLSA-N 1 2 289.357 -1.112 20 0 CAADLO C[C@@H]1C[C@@H]1N1C[C@H]([NH2+]Cc2cn(CC(N)=O)nn2)CC1=O ZINC001364875753 887148969 /nfs/dbraw/zinc/14/89/69/887148969.db2.gz BNKSDTCKAGGKHS-KKZNHRDASA-N 1 2 292.343 -1.138 20 0 CAADLO O=S(=O)(CCn1cc[nH+]c1)N1CC[C@@H](O)[C@H](CO)C1 ZINC001364869012 887149202 /nfs/dbraw/zinc/14/92/02/887149202.db2.gz YBAMXTDIJGJPGN-WDEREUQCSA-N 1 2 289.357 -1.112 20 0 CAADLO NC(=O)Cn1cc(C[NH2+][C@@H]2CC(=O)N(C3CC3)C2)nn1 ZINC001364882423 887151987 /nfs/dbraw/zinc/15/19/87/887151987.db2.gz JYZGBUWCLQHYJH-MRVPVSSYSA-N 1 2 278.316 -1.384 20 0 CAADLO CN1CCN(S(=O)(=O)N2CC[N@H+](C)C[C@H]2CO)CC1 ZINC001364913523 887154932 /nfs/dbraw/zinc/15/49/32/887154932.db2.gz QGPORTFTHZPEPJ-NSHDSACASA-N 1 2 292.405 -1.913 20 0 CAADLO CN1CCN(S(=O)(=O)N2CC[N@@H+](C)C[C@H]2CO)CC1 ZINC001364913523 887154939 /nfs/dbraw/zinc/15/49/39/887154939.db2.gz QGPORTFTHZPEPJ-NSHDSACASA-N 1 2 292.405 -1.913 20 0 CAADLO NC(=O)Cn1cc(C[N@@H+]2CC[C@H](N3CCCC3=O)C2)nn1 ZINC001364954676 887157050 /nfs/dbraw/zinc/15/70/50/887157050.db2.gz KDXIZGNVCMIPRD-NSHDSACASA-N 1 2 292.343 -1.040 20 0 CAADLO NC(=O)Cn1cc(C[N@H+]2CC[C@H](N3CCCC3=O)C2)nn1 ZINC001364954676 887157057 /nfs/dbraw/zinc/15/70/57/887157057.db2.gz KDXIZGNVCMIPRD-NSHDSACASA-N 1 2 292.343 -1.040 20 0 CAADLO C[C@H](Cn1cncn1)NS(=O)(=O)N1CC[NH+](C)CC1 ZINC001365029774 887164108 /nfs/dbraw/zinc/16/41/08/887164108.db2.gz FGDIOBIMFDAQQD-SNVBAGLBSA-N 1 2 288.377 -1.252 20 0 CAADLO C[C@@H](Cn1cncn1)NS(=O)(=O)N1CC[NH+](C)CC1 ZINC001365029773 887164253 /nfs/dbraw/zinc/16/42/53/887164253.db2.gz FGDIOBIMFDAQQD-JTQLQIEISA-N 1 2 288.377 -1.252 20 0 CAADLO Cn1nnc(CNC(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)n1 ZINC001365154673 887177267 /nfs/dbraw/zinc/17/72/67/887177267.db2.gz OQFBIMRAGPDCNP-AOOOYVTPSA-N 1 2 295.347 -1.128 20 0 CAADLO Cn1nnc(CNC(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)n1 ZINC001365154673 887177272 /nfs/dbraw/zinc/17/72/72/887177272.db2.gz OQFBIMRAGPDCNP-AOOOYVTPSA-N 1 2 295.347 -1.128 20 0 CAADLO Cn1c(CNC(=O)NCC[N@@H+]2CC[C@H](O)C2)n[nH]c1=O ZINC001365247969 887184691 /nfs/dbraw/zinc/18/46/91/887184691.db2.gz AWKRETNCGBPINJ-QMMMGPOBSA-N 1 2 284.320 -1.614 20 0 CAADLO Cn1c(CNC(=O)NCC[N@H+]2CC[C@H](O)C2)n[nH]c1=O ZINC001365247969 887184695 /nfs/dbraw/zinc/18/46/95/887184695.db2.gz AWKRETNCGBPINJ-QMMMGPOBSA-N 1 2 284.320 -1.614 20 0 CAADLO Cn1cc(NC(=O)N2CC[NH+](CCO)CC2)c(C(N)=O)n1 ZINC001365266286 887187869 /nfs/dbraw/zinc/18/78/69/887187869.db2.gz KXEHXVVNIMDQEM-UHFFFAOYSA-N 1 2 296.331 -1.339 20 0 CAADLO C[C@H](C[NH+]1CCOCC1)NC(=O)N1C[C@H](CO)[C@H](O)C1 ZINC001365304645 887190132 /nfs/dbraw/zinc/19/01/32/887190132.db2.gz SKPFXNHKZUHJQP-IJLUTSLNSA-N 1 2 287.360 -1.298 20 0 CAADLO O=C(C[N@H+]1CCC(CO)(CO)C1)NCC(=O)N1CCCC1 ZINC001365315613 887190950 /nfs/dbraw/zinc/19/09/50/887190950.db2.gz DXXHKARYDVJQFT-UHFFFAOYSA-N 1 2 299.371 -1.598 20 0 CAADLO O=C(C[N@@H+]1CCC(CO)(CO)C1)NCC(=O)N1CCCC1 ZINC001365315613 887190959 /nfs/dbraw/zinc/19/09/59/887190959.db2.gz DXXHKARYDVJQFT-UHFFFAOYSA-N 1 2 299.371 -1.598 20 0 CAADLO COC(=O)CNC(=O)[C@H](C)[N@@H+]1CC[C@H]2OCC(=O)N[C@@H]2C1 ZINC001365305136 887191203 /nfs/dbraw/zinc/19/12/03/887191203.db2.gz RZQTZFZOCDIVLM-IVZWLZJFSA-N 1 2 299.327 -1.747 20 0 CAADLO COC(=O)CNC(=O)[C@H](C)[N@H+]1CC[C@H]2OCC(=O)N[C@@H]2C1 ZINC001365305136 887191208 /nfs/dbraw/zinc/19/12/08/887191208.db2.gz RZQTZFZOCDIVLM-IVZWLZJFSA-N 1 2 299.327 -1.747 20 0 CAADLO CNS(=O)(=O)N1CCN(CCn2cc[nH+]c2)CC1 ZINC001365303716 887191674 /nfs/dbraw/zinc/19/16/74/887191674.db2.gz BFEVKJBXLRDAKQ-UHFFFAOYSA-N 1 2 273.362 -1.035 20 0 CAADLO CNS(=O)(=O)N1CC[NH+](CCn2ccnc2)CC1 ZINC001365303716 887191679 /nfs/dbraw/zinc/19/16/79/887191679.db2.gz BFEVKJBXLRDAKQ-UHFFFAOYSA-N 1 2 273.362 -1.035 20 0 CAADLO C[N@H+](Cc1nnc2n1CCNC2=O)CC1(O)CCOCC1 ZINC001365330266 887193849 /nfs/dbraw/zinc/19/38/49/887193849.db2.gz ULFONHXJDZWJJJ-UHFFFAOYSA-N 1 2 295.343 -1.005 20 0 CAADLO C[N@@H+](Cc1nnc2n1CCNC2=O)CC1(O)CCOCC1 ZINC001365330266 887193852 /nfs/dbraw/zinc/19/38/52/887193852.db2.gz ULFONHXJDZWJJJ-UHFFFAOYSA-N 1 2 295.343 -1.005 20 0 CAADLO Cn1nc(C2CC2)nc1C[N@@H+]1C[C@H](C(N)=O)[C@H](C(N)=O)C1 ZINC001365318959 887194231 /nfs/dbraw/zinc/19/42/31/887194231.db2.gz SOGUFHNUTPSVAZ-DTORHVGOSA-N 1 2 292.343 -1.289 20 0 CAADLO Cn1nc(C2CC2)nc1C[N@H+]1C[C@H](C(N)=O)[C@H](C(N)=O)C1 ZINC001365318959 887194237 /nfs/dbraw/zinc/19/42/37/887194237.db2.gz SOGUFHNUTPSVAZ-DTORHVGOSA-N 1 2 292.343 -1.289 20 0 CAADLO COc1nnc(C[N@@H+]2C[C@H](C(N)=O)[C@H](C(N)=O)C2)s1 ZINC001365319094 887194768 /nfs/dbraw/zinc/19/47/68/887194768.db2.gz UZAJKHKSMMCZTB-OLQVQODUSA-N 1 2 285.329 -1.435 20 0 CAADLO COc1nnc(C[N@H+]2C[C@H](C(N)=O)[C@H](C(N)=O)C2)s1 ZINC001365319094 887194775 /nfs/dbraw/zinc/19/47/75/887194775.db2.gz UZAJKHKSMMCZTB-OLQVQODUSA-N 1 2 285.329 -1.435 20 0 CAADLO NC(=O)Cn1cc(C[NH2+][C@@H]2CCCS(=O)(=O)C2)nn1 ZINC001365362441 887196660 /nfs/dbraw/zinc/19/66/60/887196660.db2.gz MOZUJRUJJIOLGM-MRVPVSSYSA-N 1 2 287.345 -1.570 20 0 CAADLO COCC1(O)CN(S(=O)(=O)N2CC[NH+](C)CC2)C1 ZINC001365408705 887204443 /nfs/dbraw/zinc/20/44/43/887204443.db2.gz ZVEWQJGVNXQIMW-UHFFFAOYSA-N 1 2 279.362 -1.828 20 0 CAADLO Cn1nnc(CNS(=O)(=O)CCn2cc[nH+]c2)n1 ZINC001365393474 887203970 /nfs/dbraw/zinc/20/39/70/887203970.db2.gz ADPIHNDOURWGBM-UHFFFAOYSA-N 1 2 271.306 -1.474 20 0 CAADLO CCN1C[C@@H](NS(=O)(=O)N2CC[NH+](C)CC2)CC1=O ZINC001365397072 887204372 /nfs/dbraw/zinc/20/43/72/887204372.db2.gz FEILCZABEJWYLS-JTQLQIEISA-N 1 2 290.389 -1.311 20 0 CAADLO COC(=O)C1(O)CN(S(=O)(=O)N2CC[NH+](C)CC2)C1 ZINC001365457396 887215156 /nfs/dbraw/zinc/21/51/56/887215156.db2.gz LYBPRTLURZBXEU-UHFFFAOYSA-N 1 2 293.345 -2.302 20 0 CAADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)N1C[C@H](O)[C@@H](CO)C1 ZINC001365556609 887221987 /nfs/dbraw/zinc/22/19/87/887221987.db2.gz YCHRFNHGTRQCHT-UTUOFQBUSA-N 1 2 287.360 -1.298 20 0 CAADLO C[C@@H]1COCC[N@H+]1CCNC(=O)N1C[C@H](O)[C@@H](CO)C1 ZINC001365556609 887222005 /nfs/dbraw/zinc/22/20/05/887222005.db2.gz YCHRFNHGTRQCHT-UTUOFQBUSA-N 1 2 287.360 -1.298 20 0 CAADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)N1C[C@H](O)[C@H](CO)C1 ZINC001365556611 887223510 /nfs/dbraw/zinc/22/35/10/887223510.db2.gz YCHRFNHGTRQCHT-WOPDTQHZSA-N 1 2 287.360 -1.298 20 0 CAADLO C[C@@H]1COCC[N@H+]1CCNC(=O)N1C[C@H](O)[C@H](CO)C1 ZINC001365556611 887223521 /nfs/dbraw/zinc/22/35/21/887223521.db2.gz YCHRFNHGTRQCHT-WOPDTQHZSA-N 1 2 287.360 -1.298 20 0 CAADLO CCNC(=O)[C@@H](C)NS(=O)(=O)N1CC[NH+](C)CC1 ZINC001365633539 887226783 /nfs/dbraw/zinc/22/67/83/887226783.db2.gz BOLROFKDEJDIKC-SECBINFHSA-N 1 2 278.378 -1.407 20 0 CAADLO COC(=O)[C@H](C)CNS(=O)(=O)N1CC[NH+](C)CC1 ZINC001365680482 887234649 /nfs/dbraw/zinc/23/46/49/887234649.db2.gz KGDIGJPYTDXVHC-SECBINFHSA-N 1 2 279.362 -1.123 20 0 CAADLO COC(=O)[C@H](CO)NS(=O)(=O)CCn1cc[nH+]c1 ZINC001365684391 887239424 /nfs/dbraw/zinc/23/94/24/887239424.db2.gz VIPOLKAAHCTQTG-QMMMGPOBSA-N 1 2 277.302 -1.664 20 0 CAADLO COCC(=O)NCC1CC([NH2+]Cc2nn(C)c(=O)[nH]2)C1 ZINC001365911984 887249133 /nfs/dbraw/zinc/24/91/33/887249133.db2.gz JWHIAXGNGVRAGM-UHFFFAOYSA-N 1 2 283.332 -1.261 20 0 CAADLO COCC(=O)NCCN1CC[NH+]([C@H]2CCNC2=O)CC1 ZINC001365946949 887252908 /nfs/dbraw/zinc/25/29/08/887252908.db2.gz DBSRNPSQBCYRFI-NSHDSACASA-N 1 2 284.360 -1.745 20 0 CAADLO NC(=O)NC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cc2ccon2)C1 ZINC001365970635 887253639 /nfs/dbraw/zinc/25/36/39/887253639.db2.gz KQHAFKXFLCDYGF-SECBINFHSA-N 1 2 295.299 -1.398 20 0 CAADLO NC(=O)NC(=O)C[N@H+]1CC[C@@H](NC(=O)Cc2ccon2)C1 ZINC001365970635 887253653 /nfs/dbraw/zinc/25/36/53/887253653.db2.gz KQHAFKXFLCDYGF-SECBINFHSA-N 1 2 295.299 -1.398 20 0 CAADLO COCC(=O)NCCN1CC[NH+]([C@@H]2CCNC2=O)CC1 ZINC001365946926 887254550 /nfs/dbraw/zinc/25/45/50/887254550.db2.gz DBSRNPSQBCYRFI-LLVKDONJSA-N 1 2 284.360 -1.745 20 0 CAADLO CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H](C)NC(C)=O)C1 ZINC001365968919 887254580 /nfs/dbraw/zinc/25/45/80/887254580.db2.gz JQCWCKJTPCRTOW-ONGXEEELSA-N 1 2 284.360 -1.162 20 0 CAADLO CCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@H](C)NC(C)=O)C1 ZINC001365968919 887254596 /nfs/dbraw/zinc/25/45/96/887254596.db2.gz JQCWCKJTPCRTOW-ONGXEEELSA-N 1 2 284.360 -1.162 20 0 CAADLO CC(=O)NCC(=O)NCC[NH+]1CCN(CCF)CC1 ZINC001365956091 887255604 /nfs/dbraw/zinc/25/56/04/887255604.db2.gz WUTQEEMGVOJOOD-UHFFFAOYSA-N 1 2 274.340 -1.174 20 0 CAADLO CC(C)NC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001365971713 887256532 /nfs/dbraw/zinc/25/65/32/887256532.db2.gz BLOCOAWFGKLQRE-ZJUUUORDSA-N 1 2 297.359 -1.617 20 0 CAADLO CC(C)NC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001365971713 887256546 /nfs/dbraw/zinc/25/65/46/887256546.db2.gz BLOCOAWFGKLQRE-ZJUUUORDSA-N 1 2 297.359 -1.617 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CN(C)C(C)=O)C1 ZINC001365974025 887257117 /nfs/dbraw/zinc/25/71/17/887257117.db2.gz MOESXINQPTZUQE-SNVBAGLBSA-N 1 2 270.333 -1.599 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)CN(C)C(C)=O)C1 ZINC001365974025 887257137 /nfs/dbraw/zinc/25/71/37/887257137.db2.gz MOESXINQPTZUQE-SNVBAGLBSA-N 1 2 270.333 -1.599 20 0 CAADLO CNC(=O)C[N@H+]1CCC[C@H](NC(=O)CNC(C)=O)C1 ZINC001365934520 887257764 /nfs/dbraw/zinc/25/77/64/887257764.db2.gz FWABYJKAVURTPO-JTQLQIEISA-N 1 2 270.333 -1.551 20 0 CAADLO COCCC(=O)NCCN1CC[NH+]([C@@H]2CCNC2=O)CC1 ZINC001365958063 887257563 /nfs/dbraw/zinc/25/75/63/887257563.db2.gz ZTMIHUBGUGMHNJ-GFCCVEGCSA-N 1 2 298.387 -1.355 20 0 CAADLO CNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)CNC(C)=O)C1 ZINC001365934559 887257593 /nfs/dbraw/zinc/25/75/93/887257593.db2.gz FWABYJKAVURTPO-SNVBAGLBSA-N 1 2 270.333 -1.551 20 0 CAADLO CNC(=O)C[N@H+]1CCC[C@@H](NC(=O)CNC(C)=O)C1 ZINC001365934559 887257620 /nfs/dbraw/zinc/25/76/20/887257620.db2.gz FWABYJKAVURTPO-SNVBAGLBSA-N 1 2 270.333 -1.551 20 0 CAADLO CNC(=O)C[N@@H+]1CCC[C@H](NC(=O)CNC(C)=O)C1 ZINC001365934520 887257749 /nfs/dbraw/zinc/25/77/49/887257749.db2.gz FWABYJKAVURTPO-JTQLQIEISA-N 1 2 270.333 -1.551 20 0 CAADLO CC(C)NC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001365971706 887258147 /nfs/dbraw/zinc/25/81/47/887258147.db2.gz BLOCOAWFGKLQRE-UWVGGRQHSA-N 1 2 297.359 -1.617 20 0 CAADLO CC(C)NC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001365971706 887258159 /nfs/dbraw/zinc/25/81/59/887258159.db2.gz BLOCOAWFGKLQRE-UWVGGRQHSA-N 1 2 297.359 -1.617 20 0 CAADLO NC(=O)NC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCOC2)C1 ZINC001365978105 887260057 /nfs/dbraw/zinc/26/00/57/887260057.db2.gz ULJITEZAXATKLS-DTWKUNHWSA-N 1 2 284.316 -1.592 20 0 CAADLO NC(=O)NC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CCOC2)C1 ZINC001365978105 887260072 /nfs/dbraw/zinc/26/00/72/887260072.db2.gz ULJITEZAXATKLS-DTWKUNHWSA-N 1 2 284.316 -1.592 20 0 CAADLO CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCC(=O)N2)C1 ZINC001365994788 887260357 /nfs/dbraw/zinc/26/03/57/887260357.db2.gz ZJDUZWBVOLASHC-GHMZBOCLSA-N 1 2 296.371 -1.018 20 0 CAADLO CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CCCC(=O)N2)C1 ZINC001365994788 887260367 /nfs/dbraw/zinc/26/03/67/887260367.db2.gz ZJDUZWBVOLASHC-GHMZBOCLSA-N 1 2 296.371 -1.018 20 0 CAADLO CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001366000440 887261500 /nfs/dbraw/zinc/26/15/00/887261500.db2.gz ZFUAFGIYUUQJHD-BBBLOLIVSA-N 1 2 282.344 -1.566 20 0 CAADLO CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001366000440 887261518 /nfs/dbraw/zinc/26/15/18/887261518.db2.gz ZFUAFGIYUUQJHD-BBBLOLIVSA-N 1 2 282.344 -1.566 20 0 CAADLO CO[C@@H](C)C(=O)N[C@H]1CC[N@H+](CCNS(C)(=O)=O)C1 ZINC001365985861 887262181 /nfs/dbraw/zinc/26/21/81/887262181.db2.gz NTWFPMBYSZOJAO-UWVGGRQHSA-N 1 2 293.389 -1.239 20 0 CAADLO CO[C@@H](C)C(=O)N[C@H]1CC[N@@H+](CCNS(C)(=O)=O)C1 ZINC001365985861 887262203 /nfs/dbraw/zinc/26/22/03/887262203.db2.gz NTWFPMBYSZOJAO-UWVGGRQHSA-N 1 2 293.389 -1.239 20 0 CAADLO CC[C@@H](NC(C)=O)C(=O)N[C@H]1CC[N@H+](CC(=O)NC)C1 ZINC001365982646 887262347 /nfs/dbraw/zinc/26/23/47/887262347.db2.gz BGPUVRLYTRGUBE-WDEREUQCSA-N 1 2 284.360 -1.162 20 0 CAADLO CC[C@@H](NC(C)=O)C(=O)N[C@H]1CC[N@@H+](CC(=O)NC)C1 ZINC001365982646 887262364 /nfs/dbraw/zinc/26/23/64/887262364.db2.gz BGPUVRLYTRGUBE-WDEREUQCSA-N 1 2 284.360 -1.162 20 0 CAADLO NC(=O)NC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCOC2)C1 ZINC001365978085 887264804 /nfs/dbraw/zinc/26/48/04/887264804.db2.gz ULJITEZAXATKLS-BDAKNGLRSA-N 1 2 284.316 -1.592 20 0 CAADLO NC(=O)NC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCOC2)C1 ZINC001365978085 887264823 /nfs/dbraw/zinc/26/48/23/887264823.db2.gz ULJITEZAXATKLS-BDAKNGLRSA-N 1 2 284.316 -1.592 20 0 CAADLO Cn1[nH]c(CN[C@H]2CCN(C(=O)CC[NH+](C)C)C2)nc1=O ZINC001366100595 887266690 /nfs/dbraw/zinc/26/66/90/887266690.db2.gz YGVNZGBRNLBZRY-JTQLQIEISA-N 1 2 296.375 -1.249 20 0 CAADLO C[C@@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)[NH2+]Cc1n[nH]c(=O)[n-]1 ZINC001366266315 887278730 /nfs/dbraw/zinc/27/87/30/887278730.db2.gz SPPVASQLGSBVQY-IUCAKERBSA-N 1 2 298.347 -1.565 20 0 CAADLO C[C@@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)[NH2+]Cc1n[nH]c(=O)[n-]1 ZINC001366266315 887278750 /nfs/dbraw/zinc/27/87/50/887278750.db2.gz SPPVASQLGSBVQY-IUCAKERBSA-N 1 2 298.347 -1.565 20 0 CAADLO CCC(=O)NCC(=O)NC[C@@H](C)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001366268993 887279749 /nfs/dbraw/zinc/27/97/49/887279749.db2.gz LZZTULZDLDQRRG-MRVPVSSYSA-N 1 2 298.347 -1.771 20 0 CAADLO C[C@@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)[NH2+]Cc1n[nH]c(=O)[n-]1 ZINC001366266306 887281530 /nfs/dbraw/zinc/28/15/30/887281530.db2.gz SPPVASQLGSBVQY-DTWKUNHWSA-N 1 2 298.347 -1.565 20 0 CAADLO C[C@@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)[NH2+]Cc1n[nH]c(=O)[n-]1 ZINC001366266306 887281547 /nfs/dbraw/zinc/28/15/47/887281547.db2.gz SPPVASQLGSBVQY-DTWKUNHWSA-N 1 2 298.347 -1.565 20 0 CAADLO C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)NCc1nc(=O)n(C)[nH]1 ZINC001366360338 887297759 /nfs/dbraw/zinc/29/77/59/887297759.db2.gz UKDKQXOWLJCBLA-UWVGGRQHSA-N 1 2 296.375 -1.346 20 0 CAADLO C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)NCc1nc(=O)n(C)[nH]1 ZINC001366360338 887297775 /nfs/dbraw/zinc/29/77/75/887297775.db2.gz UKDKQXOWLJCBLA-UWVGGRQHSA-N 1 2 296.375 -1.346 20 0 CAADLO Cn1ncc(C(=O)NCC[N@H+](C)CC(=O)NC2CC2)c1N ZINC001366517469 887301687 /nfs/dbraw/zinc/30/16/87/887301687.db2.gz CPTUTYDDUPTPBK-UHFFFAOYSA-N 1 2 294.359 -1.058 20 0 CAADLO Cn1ncc(C(=O)NCC[N@@H+](C)CC(=O)NC2CC2)c1N ZINC001366517469 887301705 /nfs/dbraw/zinc/30/17/05/887301705.db2.gz CPTUTYDDUPTPBK-UHFFFAOYSA-N 1 2 294.359 -1.058 20 0 CAADLO C[N@H+](CCNC(=O)CCc1nnc[nH]1)[C@H]1CCNC1=O ZINC001366517111 887303489 /nfs/dbraw/zinc/30/34/89/887303489.db2.gz CQCBTLSUEBLQFJ-VIFPVBQESA-N 1 2 280.332 -1.326 20 0 CAADLO C[N@@H+](CCNC(=O)CCc1nnc[nH]1)[C@H]1CCNC1=O ZINC001366517111 887303499 /nfs/dbraw/zinc/30/34/99/887303499.db2.gz CQCBTLSUEBLQFJ-VIFPVBQESA-N 1 2 280.332 -1.326 20 0 CAADLO C[N@H+](CCNC(=O)CCc1nc[nH]n1)[C@H]1CCNC1=O ZINC001366517111 887303511 /nfs/dbraw/zinc/30/35/11/887303511.db2.gz CQCBTLSUEBLQFJ-VIFPVBQESA-N 1 2 280.332 -1.326 20 0 CAADLO C[N@@H+](CCNC(=O)CCc1nc[nH]n1)[C@H]1CCNC1=O ZINC001366517111 887303525 /nfs/dbraw/zinc/30/35/25/887303525.db2.gz CQCBTLSUEBLQFJ-VIFPVBQESA-N 1 2 280.332 -1.326 20 0 CAADLO C[N@H+](CCNC(=O)CCn1cncn1)CC(=O)NC1CC1 ZINC001366513716 887304142 /nfs/dbraw/zinc/30/41/42/887304142.db2.gz BTJKKJDHJUEWCG-UHFFFAOYSA-N 1 2 294.359 -1.005 20 0 CAADLO C[N@@H+](CCNC(=O)CCn1cncn1)CC(=O)NC1CC1 ZINC001366513716 887304156 /nfs/dbraw/zinc/30/41/56/887304156.db2.gz BTJKKJDHJUEWCG-UHFFFAOYSA-N 1 2 294.359 -1.005 20 0 CAADLO CN(C)C(=O)C[N@H+](C)CCNC(=O)[C@@H]1CCNC(=O)C1 ZINC001366518840 887304735 /nfs/dbraw/zinc/30/47/35/887304735.db2.gz ARRGHBKPOOMSQB-SNVBAGLBSA-N 1 2 284.360 -1.351 20 0 CAADLO CN(C)C(=O)C[N@@H+](C)CCNC(=O)[C@@H]1CCNC(=O)C1 ZINC001366518840 887304745 /nfs/dbraw/zinc/30/47/45/887304745.db2.gz ARRGHBKPOOMSQB-SNVBAGLBSA-N 1 2 284.360 -1.351 20 0 CAADLO C[C@@H](CCNC(=O)c1cn[nH]n1)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001366481361 887305959 /nfs/dbraw/zinc/30/59/59/887305959.db2.gz WBJOQNLACBLVCP-ZETCQYMHSA-N 1 2 294.319 -1.475 20 0 CAADLO C[C@@H](CCNC(=O)c1cnn[nH]1)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001366481361 887305973 /nfs/dbraw/zinc/30/59/73/887305973.db2.gz WBJOQNLACBLVCP-ZETCQYMHSA-N 1 2 294.319 -1.475 20 0 CAADLO CC(C)NC(=O)C[N@H+](C)CCNC(=O)[C@@H]1COC(=O)N1 ZINC001366524806 887309519 /nfs/dbraw/zinc/30/95/19/887309519.db2.gz MNWFEICNZINRTM-VIFPVBQESA-N 1 2 286.332 -1.333 20 0 CAADLO CC(C)NC(=O)C[N@@H+](C)CCNC(=O)[C@@H]1COC(=O)N1 ZINC001366524806 887309534 /nfs/dbraw/zinc/30/95/34/887309534.db2.gz MNWFEICNZINRTM-VIFPVBQESA-N 1 2 286.332 -1.333 20 0 CAADLO CNC(=O)C[N@H+](C)CCNC(=O)C[C@H](C)NC(N)=O ZINC001366528270 887310270 /nfs/dbraw/zinc/31/02/70/887310270.db2.gz IOACVURGHANYHP-QMMMGPOBSA-N 1 2 273.337 -1.773 20 0 CAADLO CNC(=O)C[N@@H+](C)CCNC(=O)C[C@H](C)NC(N)=O ZINC001366528270 887310284 /nfs/dbraw/zinc/31/02/84/887310284.db2.gz IOACVURGHANYHP-QMMMGPOBSA-N 1 2 273.337 -1.773 20 0 CAADLO CNC(=O)C[N@H+](C)CCNC(=O)C[C@@H](C)NC(N)=O ZINC001366528232 887310410 /nfs/dbraw/zinc/31/04/10/887310410.db2.gz IOACVURGHANYHP-MRVPVSSYSA-N 1 2 273.337 -1.773 20 0 CAADLO CNC(=O)C[N@@H+](C)CCNC(=O)C[C@@H](C)NC(N)=O ZINC001366528232 887310422 /nfs/dbraw/zinc/31/04/22/887310422.db2.gz IOACVURGHANYHP-MRVPVSSYSA-N 1 2 273.337 -1.773 20 0 CAADLO CNC(=O)NCC(=O)NCC[N@H+](C)Cc1nc(=O)n(C)[nH]1 ZINC001366537879 887311515 /nfs/dbraw/zinc/31/15/15/887311515.db2.gz NQEJJPMFQHCAGD-UHFFFAOYSA-N 1 2 299.335 -2.415 20 0 CAADLO CNC(=O)NCC(=O)NCC[N@@H+](C)Cc1nc(=O)n(C)[nH]1 ZINC001366537879 887311533 /nfs/dbraw/zinc/31/15/33/887311533.db2.gz NQEJJPMFQHCAGD-UHFFFAOYSA-N 1 2 299.335 -2.415 20 0 CAADLO Cn1cncc1C[N@H+](C)CCNC(=O)Cn1ncnn1 ZINC001366526568 887312153 /nfs/dbraw/zinc/31/21/53/887312153.db2.gz BIXQHNOPVOZBFF-UHFFFAOYSA-N 1 2 278.320 -1.345 20 0 CAADLO Cn1cncc1C[N@@H+](C)CCNC(=O)Cn1ncnn1 ZINC001366526568 887312167 /nfs/dbraw/zinc/31/21/67/887312167.db2.gz BIXQHNOPVOZBFF-UHFFFAOYSA-N 1 2 278.320 -1.345 20 0 CAADLO CN(C)C(=O)C[N@H+](C)CCNC(=O)C[C@H]1CCNC1=O ZINC001366541799 887312425 /nfs/dbraw/zinc/31/24/25/887312425.db2.gz TXHMHNWTHLUIQU-SNVBAGLBSA-N 1 2 284.360 -1.351 20 0 CAADLO CN(C)C(=O)C[N@@H+](C)CCNC(=O)C[C@H]1CCNC1=O ZINC001366541799 887312436 /nfs/dbraw/zinc/31/24/36/887312436.db2.gz TXHMHNWTHLUIQU-SNVBAGLBSA-N 1 2 284.360 -1.351 20 0 CAADLO CN(C)C(=O)C[N@H+](C)CCNC(=O)CN1CCNC(=O)C1 ZINC001366561561 887313899 /nfs/dbraw/zinc/31/38/99/887313899.db2.gz UBPONRWOBUCGNM-UHFFFAOYSA-N 1 2 299.375 -2.446 20 0 CAADLO CN(C)C(=O)C[N@@H+](C)CCNC(=O)CN1CCNC(=O)C1 ZINC001366561561 887313913 /nfs/dbraw/zinc/31/39/13/887313913.db2.gz UBPONRWOBUCGNM-UHFFFAOYSA-N 1 2 299.375 -2.446 20 0 CAADLO C[N@H+](CCNC(=O)CCc1cn[nH]n1)[C@@H]1CCNC1=O ZINC001366568628 887314066 /nfs/dbraw/zinc/31/40/66/887314066.db2.gz UMZCSNHMZBDBJO-SNVBAGLBSA-N 1 2 280.332 -1.326 20 0 CAADLO C[N@@H+](CCNC(=O)CCc1cn[nH]n1)[C@@H]1CCNC1=O ZINC001366568628 887314082 /nfs/dbraw/zinc/31/40/82/887314082.db2.gz UMZCSNHMZBDBJO-SNVBAGLBSA-N 1 2 280.332 -1.326 20 0 CAADLO C[N@H+](CCNC(=O)CCc1c[nH]nn1)[C@@H]1CCNC1=O ZINC001366568628 887314095 /nfs/dbraw/zinc/31/40/95/887314095.db2.gz UMZCSNHMZBDBJO-SNVBAGLBSA-N 1 2 280.332 -1.326 20 0 CAADLO C[N@@H+](CCNC(=O)CCc1c[nH]nn1)[C@@H]1CCNC1=O ZINC001366568628 887314112 /nfs/dbraw/zinc/31/41/12/887314112.db2.gz UMZCSNHMZBDBJO-SNVBAGLBSA-N 1 2 280.332 -1.326 20 0 CAADLO C[N@H+](CCNC(=O)c1ccnc2n[nH]nc21)CC(N)=O ZINC001366544144 887314321 /nfs/dbraw/zinc/31/43/21/887314321.db2.gz HFAHJLUSWCFQER-UHFFFAOYSA-N 1 2 277.288 -1.500 20 0 CAADLO C[N@@H+](CCNC(=O)c1ccnc2n[nH]nc21)CC(N)=O ZINC001366544144 887314336 /nfs/dbraw/zinc/31/43/36/887314336.db2.gz HFAHJLUSWCFQER-UHFFFAOYSA-N 1 2 277.288 -1.500 20 0 CAADLO CNC(=O)C[N@H+](C)CCNC(=O)CCCn1cncn1 ZINC001366579765 887314431 /nfs/dbraw/zinc/31/44/31/887314431.db2.gz OFWOEJXASAQAQD-UHFFFAOYSA-N 1 2 282.348 -1.148 20 0 CAADLO CNC(=O)C[N@@H+](C)CCNC(=O)CCCn1cncn1 ZINC001366579765 887314447 /nfs/dbraw/zinc/31/44/47/887314447.db2.gz OFWOEJXASAQAQD-UHFFFAOYSA-N 1 2 282.348 -1.148 20 0 CAADLO CNC(=O)C[N@H+](C)CCNC(=O)c1ccn2nnnc2c1 ZINC001366554047 887315292 /nfs/dbraw/zinc/31/52/92/887315292.db2.gz NATVXXBJLDXJTN-UHFFFAOYSA-N 1 2 291.315 -1.468 20 0 CAADLO CNC(=O)C[N@@H+](C)CCNC(=O)c1ccn2nnnc2c1 ZINC001366554047 887315300 /nfs/dbraw/zinc/31/53/00/887315300.db2.gz NATVXXBJLDXJTN-UHFFFAOYSA-N 1 2 291.315 -1.468 20 0 CAADLO COC[C@@H](OC)C(=O)NCC[N@H+](C)CC(=O)N1CCC1 ZINC001366560861 887316640 /nfs/dbraw/zinc/31/66/40/887316640.db2.gz JLUOSMREBPOJFF-LLVKDONJSA-N 1 2 287.360 -1.072 20 0 CAADLO COC[C@@H](OC)C(=O)NCC[N@@H+](C)CC(=O)N1CCC1 ZINC001366560861 887316658 /nfs/dbraw/zinc/31/66/58/887316658.db2.gz JLUOSMREBPOJFF-LLVKDONJSA-N 1 2 287.360 -1.072 20 0 CAADLO CNC(=O)C[N@H+](C)CCNC(=O)[C@H](OC)[C@@H]1CCOC1 ZINC001366553612 887316888 /nfs/dbraw/zinc/31/68/88/887316888.db2.gz KBMAOZFAWRZBMT-ZYHUDNBSSA-N 1 2 287.360 -1.168 20 0 CAADLO CNC(=O)C[N@@H+](C)CCNC(=O)[C@H](OC)[C@@H]1CCOC1 ZINC001366553612 887316903 /nfs/dbraw/zinc/31/69/03/887316903.db2.gz KBMAOZFAWRZBMT-ZYHUDNBSSA-N 1 2 287.360 -1.168 20 0 CAADLO CNC(=O)C[N@H+](C)CCNC(=O)[C@@H](OC)[C@H]1CCOC1 ZINC001366553609 887317848 /nfs/dbraw/zinc/31/78/48/887317848.db2.gz KBMAOZFAWRZBMT-JQWIXIFHSA-N 1 2 287.360 -1.168 20 0 CAADLO CNC(=O)C[N@@H+](C)CCNC(=O)[C@@H](OC)[C@H]1CCOC1 ZINC001366553609 887317861 /nfs/dbraw/zinc/31/78/61/887317861.db2.gz KBMAOZFAWRZBMT-JQWIXIFHSA-N 1 2 287.360 -1.168 20 0 CAADLO C[C@@H](CC(N)=O)C(=O)NCC[N@H+](C)CC(=O)NC1CC1 ZINC001366561258 887318336 /nfs/dbraw/zinc/31/83/36/887318336.db2.gz RBKPBLGUKYIWQQ-VIFPVBQESA-N 1 2 284.360 -1.176 20 0 CAADLO C[C@@H](CC(N)=O)C(=O)NCC[N@@H+](C)CC(=O)NC1CC1 ZINC001366561258 887318351 /nfs/dbraw/zinc/31/83/51/887318351.db2.gz RBKPBLGUKYIWQQ-VIFPVBQESA-N 1 2 284.360 -1.176 20 0 CAADLO CC(C)NC(=O)C[N@H+](C)CCNC(=O)CCNC(N)=O ZINC001366587423 887323150 /nfs/dbraw/zinc/32/31/50/887323150.db2.gz TVGUEUUYBXZPNN-UHFFFAOYSA-N 1 2 287.364 -1.383 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](CNC(=O)Cc2nnc[nH]2)C1 ZINC001366706954 887327825 /nfs/dbraw/zinc/32/78/25/887327825.db2.gz JNNHIYSDMKWEKE-SECBINFHSA-N 1 2 280.332 -1.469 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](CNC(=O)Cc2nnc[nH]2)C1 ZINC001366706954 887327836 /nfs/dbraw/zinc/32/78/36/887327836.db2.gz JNNHIYSDMKWEKE-SECBINFHSA-N 1 2 280.332 -1.469 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](CNC(=O)CCc2nc[nH]n2)C1 ZINC001366685261 887330003 /nfs/dbraw/zinc/33/00/03/887330003.db2.gz WCPJNJHGQYQGFZ-SNVBAGLBSA-N 1 2 294.359 -1.079 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](CNC(=O)CCc2nc[nH]n2)C1 ZINC001366685261 887330016 /nfs/dbraw/zinc/33/00/16/887330016.db2.gz WCPJNJHGQYQGFZ-SNVBAGLBSA-N 1 2 294.359 -1.079 20 0 CAADLO CCNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)Cc2nnc[nH]2)C1 ZINC001366710701 887330818 /nfs/dbraw/zinc/33/08/18/887330818.db2.gz OZZXKFNPIJHFSB-JTQLQIEISA-N 1 2 294.359 -1.079 20 0 CAADLO CCNC(=O)C[N@H+]1CC[C@@H](CNC(=O)Cc2nnc[nH]2)C1 ZINC001366710701 887330834 /nfs/dbraw/zinc/33/08/34/887330834.db2.gz OZZXKFNPIJHFSB-JTQLQIEISA-N 1 2 294.359 -1.079 20 0 CAADLO CNC(=O)C[N@@H+]1CCC[C@H](NC(=O)CNC(=O)OC)C1 ZINC001366901754 887341234 /nfs/dbraw/zinc/34/12/34/887341234.db2.gz UHRPEKQRIKZKLG-VIFPVBQESA-N 1 2 286.332 -1.331 20 0 CAADLO CNC(=O)C[N@H+]1CCC[C@H](NC(=O)CNC(=O)OC)C1 ZINC001366901754 887341246 /nfs/dbraw/zinc/34/12/46/887341246.db2.gz UHRPEKQRIKZKLG-VIFPVBQESA-N 1 2 286.332 -1.331 20 0 CAADLO C[C@H](CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC(N)=O)NC(N)=O ZINC001366793573 887342240 /nfs/dbraw/zinc/34/22/40/887342240.db2.gz SKKCNRJGKXUTSF-BBBLOLIVSA-N 1 2 297.359 -1.406 20 0 CAADLO C[C@H](CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(N)=O)NC(N)=O ZINC001366793573 887342251 /nfs/dbraw/zinc/34/22/51/887342251.db2.gz SKKCNRJGKXUTSF-BBBLOLIVSA-N 1 2 297.359 -1.406 20 0 CAADLO C[C@@H](O)C[NH+]1CC(NC(=O)CNC(=O)c2ccncc2)C1 ZINC001366918122 887343540 /nfs/dbraw/zinc/34/35/40/887343540.db2.gz CGMVIWAEGHHMKU-SNVBAGLBSA-N 1 2 292.339 -1.007 20 0 CAADLO COC[C@H](O)C[NH+]1CC(NC(=O)CCc2nnc[nH]2)C1 ZINC001366927135 887344223 /nfs/dbraw/zinc/34/42/23/887344223.db2.gz VMTNRNPYXANZRH-SNVBAGLBSA-N 1 2 283.332 -1.455 20 0 CAADLO CCS(=O)(=O)N[C@@H](C)C(=O)NC1C[NH+](C[C@@H](C)O)C1 ZINC001366921684 887345343 /nfs/dbraw/zinc/34/53/43/887345343.db2.gz NPIIGYPSGNABHR-BDAKNGLRSA-N 1 2 293.389 -1.505 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(NC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001366934300 887346968 /nfs/dbraw/zinc/34/69/68/887346968.db2.gz BWLGCBUFJYKQHP-NNYUYHANSA-N 1 2 270.329 -1.314 20 0 CAADLO COC[C@H](O)C[NH+]1CC(NC(=O)[C@H](C)CC(N)=O)C1 ZINC001366929799 887348676 /nfs/dbraw/zinc/34/86/76/887348676.db2.gz BNEJFRWIDHZKSH-PSASIEDQSA-N 1 2 273.333 -1.694 20 0 CAADLO COC[C@H](O)C[NH+]1CC(NC(=O)c2ccnc(OC)n2)C1 ZINC001366928289 887348739 /nfs/dbraw/zinc/34/87/39/887348739.db2.gz LCOJRPMSABGPGQ-SNVBAGLBSA-N 1 2 296.327 -1.094 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(NC(=O)C[C@H]2CCCC(=O)N2)C1 ZINC001366932715 887348773 /nfs/dbraw/zinc/34/87/73/887348773.db2.gz UTWTUJZXBAYVST-PWSUYJOCSA-N 1 2 299.371 -1.147 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(NC(=O)[C@H]2CCCN2C(C)=O)C1 ZINC001366946318 887348993 /nfs/dbraw/zinc/34/89/93/887348993.db2.gz CPWJDKIURQPLQM-QWHCGFSZSA-N 1 2 299.371 -1.195 20 0 CAADLO CC(=O)N(C)CC(=O)NCC1C[NH+](CC(=O)N(C)C)C1 ZINC001366958190 887350504 /nfs/dbraw/zinc/35/05/04/887350504.db2.gz LWXQOLVWHPCVFN-UHFFFAOYSA-N 1 2 284.360 -1.399 20 0 CAADLO CNC(=O)NC(=O)C[NH+]1CC(CNC(=O)[C@@H](C)OC)C1 ZINC001366958693 887350742 /nfs/dbraw/zinc/35/07/42/887350742.db2.gz WUNUXNDHUZVWGL-MRVPVSSYSA-N 1 2 286.332 -1.475 20 0 CAADLO CC(=O)NCC(=O)NCC1C[NH+](CC(=O)N2CCC2)C1 ZINC001366955521 887351388 /nfs/dbraw/zinc/35/13/88/887351388.db2.gz VLTNPDVAFQEAKV-UHFFFAOYSA-N 1 2 282.344 -1.597 20 0 CAADLO CCNC(=O)C[NH+]1CC(CNC(=O)[C@@H]2CC[C@@H]2C(N)=O)C1 ZINC001366970805 887351421 /nfs/dbraw/zinc/35/14/21/887351421.db2.gz FMQCJZNNCZSPDL-WDEREUQCSA-N 1 2 296.371 -1.318 20 0 CAADLO C[C@H](C(=O)NCC1C[NH+]([C@H](C)C(N)=O)C1)n1cncn1 ZINC001366961494 887351555 /nfs/dbraw/zinc/35/15/55/887351555.db2.gz IMYQBWWIXFMIHK-RKDXNWHRSA-N 1 2 280.332 -1.239 20 0 CAADLO Cn1cnc(C(=O)NCC2C[NH+](CC(=O)NC(N)=O)C2)n1 ZINC001366965790 887351965 /nfs/dbraw/zinc/35/19/65/887351965.db2.gz WMGYANPEYVFHKZ-UHFFFAOYSA-N 1 2 295.303 -2.328 20 0 CAADLO Cn1nccc1CCC(=O)NCC1C[NH+](CC(N)=O)C1 ZINC001366967031 887352160 /nfs/dbraw/zinc/35/21/60/887352160.db2.gz LXZNFVBEHQSPKG-UHFFFAOYSA-N 1 2 279.344 -1.114 20 0 CAADLO COCC(=O)NCC1C[NH+](CC(=O)N2CCNC(=O)C2)C1 ZINC001366956557 887352512 /nfs/dbraw/zinc/35/25/12/887352512.db2.gz KHRFPXWYDMKUFG-UHFFFAOYSA-N 1 2 298.343 -2.361 20 0 CAADLO O=C(Cn1cccn1)NCC1C[NH+]([C@H]2CCNC2=O)C1 ZINC001366954481 887353188 /nfs/dbraw/zinc/35/31/88/887353188.db2.gz GZHVHWOMJDSXFJ-NSHDSACASA-N 1 2 277.328 -1.180 20 0 CAADLO COC[C@H](O)C[NH+]1CC(NC(=O)c2ccc(=O)n(C)n2)C1 ZINC001366954124 887353227 /nfs/dbraw/zinc/35/32/27/887353227.db2.gz ZLUXHURNPRUWQR-SNVBAGLBSA-N 1 2 296.327 -1.798 20 0 CAADLO O=C(C[C@H]1CCNC1=O)NCC1C[NH+]([C@@H]2CCNC2=O)C1 ZINC001366971195 887353476 /nfs/dbraw/zinc/35/34/76/887353476.db2.gz DZEUJBVQOCWOIW-GHMZBOCLSA-N 1 2 294.355 -1.551 20 0 CAADLO NC(=O)NC(=O)C[N@@H+]1CC[C@H](NC(=O)C2CCOCC2)C1 ZINC001367003884 887354815 /nfs/dbraw/zinc/35/48/15/887354815.db2.gz SCWOVBZIJZXBGU-JTQLQIEISA-N 1 2 298.343 -1.202 20 0 CAADLO NC(=O)NC(=O)C[N@H+]1CC[C@H](NC(=O)C2CCOCC2)C1 ZINC001367003884 887354826 /nfs/dbraw/zinc/35/48/26/887354826.db2.gz SCWOVBZIJZXBGU-JTQLQIEISA-N 1 2 298.343 -1.202 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCNC(N)=O ZINC001367001129 887355037 /nfs/dbraw/zinc/35/50/37/887355037.db2.gz XDADIBWPPWALTE-GUBZILKMSA-N 1 2 297.359 -1.536 20 0 CAADLO CNC(=O)[C@H](C)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCNC(N)=O ZINC001367001129 887355050 /nfs/dbraw/zinc/35/50/50/887355050.db2.gz XDADIBWPPWALTE-GUBZILKMSA-N 1 2 297.359 -1.536 20 0 CAADLO CN1CC[C@H](CC(=O)NCC2C[NH+](CC(N)=O)C2)C1=O ZINC001366976993 887355122 /nfs/dbraw/zinc/35/51/22/887355122.db2.gz XDOCVRMBSPUYLB-SNVBAGLBSA-N 1 2 282.344 -1.612 20 0 CAADLO C[C@@H](C(N)=O)[NH+]1CC(CNC(=O)Cn2ccccc2=O)C1 ZINC001366987135 887355767 /nfs/dbraw/zinc/35/57/67/887355767.db2.gz SUKFHLLLLQWQTJ-JTQLQIEISA-N 1 2 292.339 -1.230 20 0 CAADLO C[C@H](C(N)=O)[NH+]1CC(CNC(=O)Cn2ccccc2=O)C1 ZINC001366987142 887355790 /nfs/dbraw/zinc/35/57/90/887355790.db2.gz SUKFHLLLLQWQTJ-SNVBAGLBSA-N 1 2 292.339 -1.230 20 0 CAADLO CNC(=O)C[NH+]1CC(CNC(=O)COC[C@H]2CCCO2)C1 ZINC001366989973 887355888 /nfs/dbraw/zinc/35/58/88/887355888.db2.gz CFCWIRFQZKJBRF-GFCCVEGCSA-N 1 2 299.371 -1.024 20 0 CAADLO COCC(=O)N[C@H]1CC[N@H+](CC(=O)NC[C@H]2CCOC2)C1 ZINC001367001440 887356227 /nfs/dbraw/zinc/35/62/27/887356227.db2.gz AAIOGYWGHKRPGU-NEPJUHHUSA-N 1 2 299.371 -1.024 20 0 CAADLO COCC(=O)N[C@H]1CC[N@@H+](CC(=O)NC[C@H]2CCOC2)C1 ZINC001367001440 887356239 /nfs/dbraw/zinc/35/62/39/887356239.db2.gz AAIOGYWGHKRPGU-NEPJUHHUSA-N 1 2 299.371 -1.024 20 0 CAADLO C[C@@H](C(=O)NCC1C[NH+](CC(N)=O)C1)[C@@H]1CCC(=O)N1 ZINC001366977107 887356336 /nfs/dbraw/zinc/35/63/36/887356336.db2.gz PHFHQFMTGBEAMQ-SCZZXKLOSA-N 1 2 282.344 -1.566 20 0 CAADLO COCC(=O)N[C@H]1CC[N@H+](CC(=O)NC[C@@H]2CCOC2)C1 ZINC001367001457 887356456 /nfs/dbraw/zinc/35/64/56/887356456.db2.gz AAIOGYWGHKRPGU-RYUDHWBXSA-N 1 2 299.371 -1.024 20 0 CAADLO COCC(=O)N[C@H]1CC[N@@H+](CC(=O)NC[C@@H]2CCOC2)C1 ZINC001367001457 887356469 /nfs/dbraw/zinc/35/64/69/887356469.db2.gz AAIOGYWGHKRPGU-RYUDHWBXSA-N 1 2 299.371 -1.024 20 0 CAADLO CC(=O)N[C@H]1CC[N@@H+](CC(=O)N[C@H](C)C(=O)N(C)C)C1 ZINC001367001774 887356753 /nfs/dbraw/zinc/35/67/53/887356753.db2.gz CTDUAMAEHUAOHX-KOLCDFICSA-N 1 2 284.360 -1.210 20 0 CAADLO CC(=O)N[C@H]1CC[N@H+](CC(=O)N[C@H](C)C(=O)N(C)C)C1 ZINC001367001774 887356768 /nfs/dbraw/zinc/35/67/68/887356768.db2.gz CTDUAMAEHUAOHX-KOLCDFICSA-N 1 2 284.360 -1.210 20 0 CAADLO CO[C@@H]1COCC[C@H]1CC(=O)NCC1C[NH+](CC(N)=O)C1 ZINC001366972870 887357802 /nfs/dbraw/zinc/35/78/02/887357802.db2.gz KOFJXXYOLUEQFB-NWDGAFQWSA-N 1 2 299.371 -1.039 20 0 CAADLO C[C@@H](NS(C)(=O)=O)C(=O)NCC1C[NH+](CC(N)=O)C1 ZINC001366973429 887357918 /nfs/dbraw/zinc/35/79/18/887357918.db2.gz BJXZGTBBFKUSOB-SSDOTTSWSA-N 1 2 292.361 -2.543 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCNC(N)=O ZINC001367001131 887358028 /nfs/dbraw/zinc/35/80/28/887358028.db2.gz XDADIBWPPWALTE-UTLUCORTSA-N 1 2 297.359 -1.536 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCNC(N)=O ZINC001367001131 887358036 /nfs/dbraw/zinc/35/80/36/887358036.db2.gz XDADIBWPPWALTE-UTLUCORTSA-N 1 2 297.359 -1.536 20 0 CAADLO CC(=O)N(C)CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@@H]1CCNC1=O ZINC001367000242 887358380 /nfs/dbraw/zinc/35/83/80/887358380.db2.gz HYQMBTFENOPTIE-SDDRHHMPSA-N 1 2 294.355 -1.362 20 0 CAADLO CC(=O)N(C)CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2[C@@H]1CCNC1=O ZINC001367000242 887358390 /nfs/dbraw/zinc/35/83/90/887358390.db2.gz HYQMBTFENOPTIE-SDDRHHMPSA-N 1 2 294.355 -1.362 20 0 CAADLO C[C@H](C(=O)NCC1C[NH+](CC(N)=O)C1)[C@H]1CCC(=O)N1 ZINC001366977108 887358621 /nfs/dbraw/zinc/35/86/21/887358621.db2.gz PHFHQFMTGBEAMQ-WCBMZHEXSA-N 1 2 282.344 -1.566 20 0 CAADLO CO[C@H]1COCC[C@H]1CC(=O)NCC1C[NH+](CC(N)=O)C1 ZINC001366972876 887358664 /nfs/dbraw/zinc/35/86/64/887358664.db2.gz KOFJXXYOLUEQFB-RYUDHWBXSA-N 1 2 299.371 -1.039 20 0 CAADLO CNC(=O)NC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)COC)C1 ZINC001367040780 887360977 /nfs/dbraw/zinc/36/09/77/887360977.db2.gz JSCPCPYCICTMAO-SECBINFHSA-N 1 2 286.332 -1.379 20 0 CAADLO CNC(=O)NC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)COC)C1 ZINC001367040780 887360992 /nfs/dbraw/zinc/36/09/92/887360992.db2.gz JSCPCPYCICTMAO-SECBINFHSA-N 1 2 286.332 -1.379 20 0 CAADLO CN(CC(=O)N(C)[C@@H]1CC[N@H+](CC(N)=O)C1)C(=O)C1CC1 ZINC001367045018 887361091 /nfs/dbraw/zinc/36/10/91/887361091.db2.gz LESWECIJGNXWNV-LLVKDONJSA-N 1 2 296.371 -1.127 20 0 CAADLO CN(CC(=O)N(C)[C@@H]1CC[N@@H+](CC(N)=O)C1)C(=O)C1CC1 ZINC001367045018 887361108 /nfs/dbraw/zinc/36/11/08/887361108.db2.gz LESWECIJGNXWNV-LLVKDONJSA-N 1 2 296.371 -1.127 20 0 CAADLO CNC(=O)NC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)COC)C1 ZINC001367040781 887361628 /nfs/dbraw/zinc/36/16/28/887361628.db2.gz JSCPCPYCICTMAO-VIFPVBQESA-N 1 2 286.332 -1.379 20 0 CAADLO CNC(=O)NC(=O)C[N@H+]1CC[C@H](N(C)C(=O)COC)C1 ZINC001367040781 887361634 /nfs/dbraw/zinc/36/16/34/887361634.db2.gz JSCPCPYCICTMAO-VIFPVBQESA-N 1 2 286.332 -1.379 20 0 CAADLO CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C2CN(C(C)=O)C2)C1 ZINC001367026001 887361654 /nfs/dbraw/zinc/36/16/54/887361654.db2.gz KISHBKRKWANXOF-GFCCVEGCSA-N 1 2 296.371 -1.209 20 0 CAADLO CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)C2CN(C(C)=O)C2)C1 ZINC001367026001 887361661 /nfs/dbraw/zinc/36/16/61/887361661.db2.gz KISHBKRKWANXOF-GFCCVEGCSA-N 1 2 296.371 -1.209 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)[C@H](C)NC(N)=O)C1 ZINC001367026568 887361961 /nfs/dbraw/zinc/36/19/61/887361961.db2.gz LWVUVYOUXWWMBZ-XLPZGREQSA-N 1 2 271.321 -1.893 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)[C@H](C)NC(N)=O)C1 ZINC001367026568 887361965 /nfs/dbraw/zinc/36/19/65/887361965.db2.gz LWVUVYOUXWWMBZ-XLPZGREQSA-N 1 2 271.321 -1.893 20 0 CAADLO Cn1cc(CCC(=O)N[C@H]2CC[N@H+](CC(N)=O)C2)nn1 ZINC001367022556 887362043 /nfs/dbraw/zinc/36/20/43/887362043.db2.gz JIXQTAPSJVLVRZ-VIFPVBQESA-N 1 2 280.332 -1.577 20 0 CAADLO Cn1cc(CCC(=O)N[C@H]2CC[N@@H+](CC(N)=O)C2)nn1 ZINC001367022556 887362048 /nfs/dbraw/zinc/36/20/48/887362048.db2.gz JIXQTAPSJVLVRZ-VIFPVBQESA-N 1 2 280.332 -1.577 20 0 CAADLO CO[C@H](C)CC(=O)N[C@@H]1CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001367025741 887362899 /nfs/dbraw/zinc/36/28/99/887362899.db2.gz UBGZGAOTTNCVFB-RKDXNWHRSA-N 1 2 286.332 -1.203 20 0 CAADLO CO[C@H](C)CC(=O)N[C@@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001367025741 887362910 /nfs/dbraw/zinc/36/29/10/887362910.db2.gz UBGZGAOTTNCVFB-RKDXNWHRSA-N 1 2 286.332 -1.203 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)CCc2cn[nH]n2)C1 ZINC001367032181 887363151 /nfs/dbraw/zinc/36/31/51/887363151.db2.gz HPXBKXZHWOFDTI-WCBMZHEXSA-N 1 2 280.332 -1.198 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)CCc2cn[nH]n2)C1 ZINC001367032181 887363164 /nfs/dbraw/zinc/36/31/64/887363164.db2.gz HPXBKXZHWOFDTI-WCBMZHEXSA-N 1 2 280.332 -1.198 20 0 CAADLO C[C@H](CC(=O)N[C@@H]1CC[N@H+](CC(N)=O)C1)NC(N)=O ZINC001367025165 887363463 /nfs/dbraw/zinc/36/34/63/887363463.db2.gz IDHXRTJSFSHHIK-HTQZYQBOSA-N 1 2 271.321 -1.891 20 0 CAADLO C[C@H](CC(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C1)NC(N)=O ZINC001367025165 887363475 /nfs/dbraw/zinc/36/34/75/887363475.db2.gz IDHXRTJSFSHHIK-HTQZYQBOSA-N 1 2 271.321 -1.891 20 0 CAADLO CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cnn(C)n2)C1 ZINC001367017260 887363804 /nfs/dbraw/zinc/36/38/04/887363804.db2.gz LCERZSXCLBOCAN-VIFPVBQESA-N 1 2 280.332 -1.245 20 0 CAADLO CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cnn(C)n2)C1 ZINC001367017260 887363820 /nfs/dbraw/zinc/36/38/20/887363820.db2.gz LCERZSXCLBOCAN-VIFPVBQESA-N 1 2 280.332 -1.245 20 0 CAADLO C[C@H]([NH2+]C[C@](C)(NC(=O)Cn1ncnn1)C1CC1)C(N)=O ZINC001367186822 887368997 /nfs/dbraw/zinc/36/89/97/887368997.db2.gz OPCMIUIGFCPZIX-UFBFGSQYSA-N 1 2 295.347 -1.579 20 0 CAADLO CCC(=O)NCC(=O)NC[C@H](C)C[NH2+]CC(=O)N(C)C ZINC001367232557 887369018 /nfs/dbraw/zinc/36/90/18/887369018.db2.gz HWCWRNCQIBNLHM-SNVBAGLBSA-N 1 2 286.376 -1.057 20 0 CAADLO CNC(=O)C[NH2+]C[C@@H](C)CNC(=O)[C@H]1COCCO1 ZINC001367236789 887369092 /nfs/dbraw/zinc/36/90/92/887369092.db2.gz HKNXJUCAIPXWMK-NXEZZACHSA-N 1 2 273.333 -1.510 20 0 CAADLO CNC(=O)C[NH2+]C[C@H]1CCCN1C(=O)CN(C)C(C)=O ZINC001367218671 887369173 /nfs/dbraw/zinc/36/91/73/887369173.db2.gz ZKDRYOMOMLEDRG-LLVKDONJSA-N 1 2 284.360 -1.209 20 0 CAADLO Cn1cc(CCC(=O)N2CCC[C@@H]2C[NH2+]CC(N)=O)nn1 ZINC001367228642 887369184 /nfs/dbraw/zinc/36/91/84/887369184.db2.gz RKJYKHIMPKRBBS-LLVKDONJSA-N 1 2 294.359 -1.186 20 0 CAADLO C[C@@H](CNC(=O)[C@H](C)NC(N)=O)C[NH2+]Cc1cnon1 ZINC001367237037 887369206 /nfs/dbraw/zinc/36/92/06/887369206.db2.gz BLITZADVCKNWDG-SFYZADRCSA-N 1 2 284.320 -1.032 20 0 CAADLO CC[C@@H](CNC(=O)[C@H]1CCCCN1C(N)=O)[NH2+]CC(N)=O ZINC001367131535 887369217 /nfs/dbraw/zinc/36/92/17/887369217.db2.gz BDIUKWVBURJASI-VHSXEESVSA-N 1 2 299.375 -1.111 20 0 CAADLO CC(=O)NCC(=O)NC[C@H](C)C[NH2+]Cc1nnnn1C ZINC001367231561 887369232 /nfs/dbraw/zinc/36/92/32/887369232.db2.gz RYRFAUDIFUWJJX-MRVPVSSYSA-N 1 2 283.336 -1.812 20 0 CAADLO C[C@@H](O)C[NH2+]C[C@](C)(NC(=O)Cn1ncnn1)C1CC1 ZINC001367182632 887369456 /nfs/dbraw/zinc/36/94/56/887369456.db2.gz KZLBQODFAWYSEJ-SKDRFNHKSA-N 1 2 282.348 -1.072 20 0 CAADLO CC[C@H](CNC(=O)Cn1cncn1)[NH2+][C@H](C)C(=O)NC ZINC001367142565 887369496 /nfs/dbraw/zinc/36/94/96/887369496.db2.gz VSXOIWLWSHBWJL-NXEZZACHSA-N 1 2 282.348 -1.103 20 0 CAADLO C[C@H](CNC(=O)[C@H](C)NC(N)=O)C[NH2+]Cc1cnon1 ZINC001367237042 887369630 /nfs/dbraw/zinc/36/96/30/887369630.db2.gz BLITZADVCKNWDG-YUMQZZPRSA-N 1 2 284.320 -1.032 20 0 CAADLO C[C@@](C[NH2+]CC(N)=O)(NC(=O)[C@H]1CNC(=O)N1)C1CC1 ZINC001367191415 887369643 /nfs/dbraw/zinc/36/96/43/887369643.db2.gz OHLYRNZKPVDZHK-PELKAZGASA-N 1 2 283.332 -1.972 20 0 CAADLO Cn1cc(C(=O)N2CCC[C@@H]2C[NH2+]CC(N)=O)n(C)c1=O ZINC001367229002 887369652 /nfs/dbraw/zinc/36/96/52/887369652.db2.gz UUHAFXTYGXYAOX-SECBINFHSA-N 1 2 295.343 -1.597 20 0 CAADLO CCC(=O)NCC(=O)NC[C@@H](C)C[NH2+]CC(=O)N(C)C ZINC001367232540 887369664 /nfs/dbraw/zinc/36/96/64/887369664.db2.gz HWCWRNCQIBNLHM-JTQLQIEISA-N 1 2 286.376 -1.057 20 0 CAADLO CCNC(=O)C[NH2+][C@H](CC)CNC(=O)Cc1nc[nH]n1 ZINC001367140606 887369701 /nfs/dbraw/zinc/36/97/01/887369701.db2.gz POSTYTIHYUZOOC-SECBINFHSA-N 1 2 282.348 -1.032 20 0 CAADLO CCNC(=O)C[NH2+][C@H](CC)CNC(=O)Cc1nnc[nH]1 ZINC001367140606 887369708 /nfs/dbraw/zinc/36/97/08/887369708.db2.gz POSTYTIHYUZOOC-SECBINFHSA-N 1 2 282.348 -1.032 20 0 CAADLO NC(=O)NC(=O)C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCCO1 ZINC001367213927 887369732 /nfs/dbraw/zinc/36/97/32/887369732.db2.gz CYSQTJBJCCWLOD-NXEZZACHSA-N 1 2 298.343 -1.059 20 0 CAADLO CC[C@H](CNC(=O)Cn1cncn1)[NH2+][C@H]1CCNC1=O ZINC001367140319 887369764 /nfs/dbraw/zinc/36/97/64/887369764.db2.gz QLOUWFZHVXJURR-ZJUUUORDSA-N 1 2 280.332 -1.349 20 0 CAADLO CC[C@@H](CNC(=O)CCNC(N)=O)[NH2+]Cc1ncnn1C ZINC001367137767 887369789 /nfs/dbraw/zinc/36/97/89/887369789.db2.gz LYPNTHCPXJOLIE-VIFPVBQESA-N 1 2 297.363 -1.142 20 0 CAADLO CC[C@H](CNC(=O)CCNC(N)=O)[NH2+][C@H]1CCN(C)C1=O ZINC001367136900 887369807 /nfs/dbraw/zinc/36/98/07/887369807.db2.gz KZTAIUPIKVMTNR-ZJUUUORDSA-N 1 2 299.375 -1.240 20 0 CAADLO CC(=O)NCC(=O)N[C@H]1CC[C@H]([NH2+]CC(N)=O)CC1 ZINC001367177923 887369918 /nfs/dbraw/zinc/36/99/18/887369918.db2.gz XYDJZKFYVBTYPR-MGCOHNPYSA-N 1 2 270.333 -1.375 20 0 CAADLO CC[C@@H](CNC(=O)c1cn(CC(N)=O)nn1)[NH2+]C[C@H](C)O ZINC001367151284 887369967 /nfs/dbraw/zinc/36/99/67/887369967.db2.gz SFZQAXGGUJZXRL-IUCAKERBSA-N 1 2 298.347 -1.758 20 0 CAADLO C[C@@H]([NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCC(=O)N1)C(N)=O ZINC001367216987 887370508 /nfs/dbraw/zinc/37/05/08/887370508.db2.gz NFBGTPRLIUWWNG-OPRDCNLKSA-N 1 2 282.344 -1.281 20 0 CAADLO C[C@@H]([NH2+]C[C@@](C)(NC(=O)Cn1ncnn1)C1CC1)C(N)=O ZINC001367186801 887370136 /nfs/dbraw/zinc/37/01/36/887370136.db2.gz OPCMIUIGFCPZIX-PRHODGIISA-N 1 2 295.347 -1.579 20 0 CAADLO C[C@H](CNC(=O)c1cc2n(n1)CCO2)C[NH2+]CC(N)=O ZINC001367237518 887370175 /nfs/dbraw/zinc/37/01/75/887370175.db2.gz AYNWTMPRCHCQCY-QMMMGPOBSA-N 1 2 281.316 -1.284 20 0 CAADLO CNC(=O)NCC(=O)N[C@H]1CC[C@H]([NH2+]CCO)CC1 ZINC001367181404 887370205 /nfs/dbraw/zinc/37/02/05/887370205.db2.gz AXUKHEZIPZMUFY-MGCOHNPYSA-N 1 2 272.349 -1.075 20 0 CAADLO NC(=O)C[NH+]1CCC(CCNC(=O)[C@H]2COC(=O)N2)CC1 ZINC001367208438 887370273 /nfs/dbraw/zinc/37/02/73/887370273.db2.gz RGLDBYQJHLGHHZ-SNVBAGLBSA-N 1 2 298.343 -1.202 20 0 CAADLO CC[C@@H](CNC(=O)CCNC(N)=O)[NH2+]Cc1cnnn1C ZINC001367140272 887370286 /nfs/dbraw/zinc/37/02/86/887370286.db2.gz PSYQJXJLYACHEG-VIFPVBQESA-N 1 2 297.363 -1.142 20 0 CAADLO COC[C@@H](O)C[NH2+]C[C@H]1CCCN1C(=O)Cn1cncn1 ZINC001367228503 887370326 /nfs/dbraw/zinc/37/03/26/887370326.db2.gz ZOAFMIXWMLSMEX-NEPJUHHUSA-N 1 2 297.359 -1.134 20 0 CAADLO NC(=O)C[NH+]1CCC(CCNC(=O)[C@H]2C[C@H]2C(N)=O)CC1 ZINC001367220438 887370393 /nfs/dbraw/zinc/37/03/93/887370393.db2.gz ZZENOMQWTFWUNP-MNOVXSKESA-N 1 2 296.371 -1.189 20 0 CAADLO CC[C@@H](CNC(=O)c1cccnn1)[NH2+]CC(=O)NC(N)=O ZINC001367142771 887370427 /nfs/dbraw/zinc/37/04/27/887370427.db2.gz RLCUBSSUZYCATH-QMMMGPOBSA-N 1 2 294.315 -1.231 20 0 CAADLO CNC(=O)C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CNC(=O)N1 ZINC001367219698 887370442 /nfs/dbraw/zinc/37/04/42/887370442.db2.gz HIZPRJOYUBENOH-RKDXNWHRSA-N 1 2 283.332 -2.006 20 0 CAADLO CC(=O)NCC(=O)NC[C@H](C)C[NH2+][C@@H]1CCCNC1=O ZINC001367231556 887370472 /nfs/dbraw/zinc/37/04/72/887370472.db2.gz RYALVHKBQJNLNG-MWLCHTKSSA-N 1 2 284.360 -1.257 20 0 CAADLO CC[C@@H](CNC(=O)Cn1cncn1)[NH2+][C@H]1CCNC1=O ZINC001367140317 887370738 /nfs/dbraw/zinc/37/07/38/887370738.db2.gz QLOUWFZHVXJURR-UWVGGRQHSA-N 1 2 280.332 -1.349 20 0 CAADLO CO[C@H](C)CC(=O)NC[C@H](C)C[NH2+]CC(=O)NC(N)=O ZINC001367233270 887370752 /nfs/dbraw/zinc/37/07/52/887370752.db2.gz JUJUDIWVMPHEAT-RKDXNWHRSA-N 1 2 288.348 -1.052 20 0 CAADLO CC(=O)NCC(=O)NC[C@H](C)C[NH2+][C@H]1CCCNC1=O ZINC001367231554 887370794 /nfs/dbraw/zinc/37/07/94/887370794.db2.gz RYALVHKBQJNLNG-KOLCDFICSA-N 1 2 284.360 -1.257 20 0 CAADLO C[C@H](CNC(=O)[C@H]1CCC(=O)N1)C[NH2+]Cc1ncnn1C ZINC001367232030 887370828 /nfs/dbraw/zinc/37/08/28/887370828.db2.gz HBPRIFZJLYINCZ-VHSXEESVSA-N 1 2 294.359 -1.064 20 0 CAADLO CC[NH2+]C[C@H]1CCCN1C(=O)C[C@H](NC(C)=O)C(N)=O ZINC001367224919 887370841 /nfs/dbraw/zinc/37/08/41/887370841.db2.gz RHJORAGSAYBFTH-MNOVXSKESA-N 1 2 284.360 -1.033 20 0 CAADLO C[C@H](CC(=O)N1CCC[C@@H]1C[NH2+]CC(N)=O)NC(N)=O ZINC001367213724 887370856 /nfs/dbraw/zinc/37/08/56/887370856.db2.gz FQBNHYMRDDMLIA-RKDXNWHRSA-N 1 2 285.348 -1.501 20 0 CAADLO C[C@H](CC(N)=O)C(=O)N1CCC[C@@H]1C[NH2+]CC(N)=O ZINC001367221413 887371011 /nfs/dbraw/zinc/37/10/11/887371011.db2.gz IFNUKHZEDDYERF-RKDXNWHRSA-N 1 2 270.333 -1.436 20 0 CAADLO C[C@@H](CC(=O)N1CCC[C@@H]1C[NH2+]CC(N)=O)NC(N)=O ZINC001367213719 887371037 /nfs/dbraw/zinc/37/10/37/887371037.db2.gz FQBNHYMRDDMLIA-DTWKUNHWSA-N 1 2 285.348 -1.501 20 0 CAADLO C[C@@H](CNC(=O)c1nnc[nH]1)C[NH2+]Cc1nnn(C)n1 ZINC001367280120 887372420 /nfs/dbraw/zinc/37/24/20/887372420.db2.gz SAFYKQKOAXZNCW-SSDOTTSWSA-N 1 2 279.308 -1.516 20 0 CAADLO COCCC(=O)NC[C@@H]1C[N@H+](C[C@H](O)COC)CCO1 ZINC001367283035 887374109 /nfs/dbraw/zinc/37/41/09/887374109.db2.gz AXWOBCWVXYZEAB-NWDGAFQWSA-N 1 2 290.360 -1.153 20 0 CAADLO COCCC(=O)NC[C@@H]1C[N@@H+](C[C@H](O)COC)CCO1 ZINC001367283035 887374117 /nfs/dbraw/zinc/37/41/17/887374117.db2.gz AXWOBCWVXYZEAB-NWDGAFQWSA-N 1 2 290.360 -1.153 20 0 CAADLO COCC[N@@H+]1CCO[C@@H](CNC(=O)CCn2cnnn2)C1 ZINC001367318315 887375407 /nfs/dbraw/zinc/37/54/07/887375407.db2.gz OMQFBYMGLYPPMN-NSHDSACASA-N 1 2 298.347 -1.473 20 0 CAADLO COCC[N@H+]1CCO[C@@H](CNC(=O)CCn2cnnn2)C1 ZINC001367318315 887375419 /nfs/dbraw/zinc/37/54/19/887375419.db2.gz OMQFBYMGLYPPMN-NSHDSACASA-N 1 2 298.347 -1.473 20 0 CAADLO CN1CC[C@H](CC(=O)NC[C@H]2C[N@H+](CCO)CCO2)C1=O ZINC001367306539 887376040 /nfs/dbraw/zinc/37/60/40/887376040.db2.gz YLENFUMPNJCLOR-NEPJUHHUSA-N 1 2 299.371 -1.336 20 0 CAADLO CN1CC[C@H](CC(=O)NC[C@H]2C[N@@H+](CCO)CCO2)C1=O ZINC001367306539 887376049 /nfs/dbraw/zinc/37/60/49/887376049.db2.gz YLENFUMPNJCLOR-NEPJUHHUSA-N 1 2 299.371 -1.336 20 0 CAADLO COC[C@H](O)C[N@@H+]1CCO[C@H](CNC(=O)[C@@H](C)OC)C1 ZINC001367302023 887376153 /nfs/dbraw/zinc/37/61/53/887376153.db2.gz LUVMPUULEGIQGS-IJLUTSLNSA-N 1 2 290.360 -1.154 20 0 CAADLO COC[C@H](O)C[N@H+]1CCO[C@H](CNC(=O)[C@@H](C)OC)C1 ZINC001367302023 887376160 /nfs/dbraw/zinc/37/61/60/887376160.db2.gz LUVMPUULEGIQGS-IJLUTSLNSA-N 1 2 290.360 -1.154 20 0 CAADLO COCC[N@@H+]1CCO[C@@H](CNC(=O)CN(C)C(C)=O)C1 ZINC001367306630 887376276 /nfs/dbraw/zinc/37/62/76/887376276.db2.gz ULJFHBYBPPPJOQ-LBPRGKRZSA-N 1 2 287.360 -1.072 20 0 CAADLO COCC[N@H+]1CCO[C@@H](CNC(=O)CN(C)C(C)=O)C1 ZINC001367306630 887376289 /nfs/dbraw/zinc/37/62/89/887376289.db2.gz ULJFHBYBPPPJOQ-LBPRGKRZSA-N 1 2 287.360 -1.072 20 0 CAADLO COCC[N@@H+]1CCO[C@H](CNC(=O)CNC(C)=O)C1 ZINC001367302807 887376708 /nfs/dbraw/zinc/37/67/08/887376708.db2.gz YDYXOLMQUVYTHX-LLVKDONJSA-N 1 2 273.333 -1.414 20 0 CAADLO COCC[N@H+]1CCO[C@H](CNC(=O)CNC(C)=O)C1 ZINC001367302807 887376720 /nfs/dbraw/zinc/37/67/20/887376720.db2.gz YDYXOLMQUVYTHX-LLVKDONJSA-N 1 2 273.333 -1.414 20 0 CAADLO CN1CC[C@H](CC(=O)NC[C@@H]2C[N@H+](CCO)CCO2)C1=O ZINC001367306545 887378130 /nfs/dbraw/zinc/37/81/30/887378130.db2.gz YLENFUMPNJCLOR-VXGBXAGGSA-N 1 2 299.371 -1.336 20 0 CAADLO CN1CC[C@H](CC(=O)NC[C@@H]2C[N@@H+](CCO)CCO2)C1=O ZINC001367306545 887378144 /nfs/dbraw/zinc/37/81/44/887378144.db2.gz YLENFUMPNJCLOR-VXGBXAGGSA-N 1 2 299.371 -1.336 20 0 CAADLO C[C@@H](C(N)=O)N1CCO[C@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001367305536 887378802 /nfs/dbraw/zinc/37/88/02/887378802.db2.gz FHMKUBVVMMLASP-WDEREUQCSA-N 1 2 295.343 -1.426 20 0 CAADLO C[C@H](C[NH2+]Cc1nc(=O)n(C)[nH]1)N(C)C(=O)c1cn[nH]n1 ZINC001367366529 887382368 /nfs/dbraw/zinc/38/23/68/887382368.db2.gz DWQNVVQTUDICLE-SSDOTTSWSA-N 1 2 294.319 -1.523 20 0 CAADLO CNC(=O)C[N@H+](C)CCN(C)C(=O)c1cc(=O)n(C)cn1 ZINC001367519876 887384159 /nfs/dbraw/zinc/38/41/59/887384159.db2.gz APHVGRQTZPIYBX-UHFFFAOYSA-N 1 2 295.343 -1.470 20 0 CAADLO CNC(=O)C[N@@H+](C)CCN(C)C(=O)c1cc(=O)n(C)cn1 ZINC001367519876 887384173 /nfs/dbraw/zinc/38/41/73/887384173.db2.gz APHVGRQTZPIYBX-UHFFFAOYSA-N 1 2 295.343 -1.470 20 0 CAADLO CN(CC[N@H+](C)Cc1cnnn1C)C(=O)[C@@H]1CCC(=O)N1 ZINC001367546484 887384704 /nfs/dbraw/zinc/38/47/04/887384704.db2.gz RRBNOPAAWGBNSQ-NSHDSACASA-N 1 2 294.359 -1.016 20 0 CAADLO CN(CC[N@@H+](C)Cc1cnnn1C)C(=O)[C@@H]1CCC(=O)N1 ZINC001367546484 887384714 /nfs/dbraw/zinc/38/47/14/887384714.db2.gz RRBNOPAAWGBNSQ-NSHDSACASA-N 1 2 294.359 -1.016 20 0 CAADLO CN(CC[N@H+](C)CC(N)=O)C(=O)Cn1ncn(C)c1=O ZINC001367521792 887384738 /nfs/dbraw/zinc/38/47/38/887384738.db2.gz TTYCWAPNIYBPSV-UHFFFAOYSA-N 1 2 284.320 -2.543 20 0 CAADLO CN(CC[N@@H+](C)CC(N)=O)C(=O)Cn1ncn(C)c1=O ZINC001367521792 887384756 /nfs/dbraw/zinc/38/47/56/887384756.db2.gz TTYCWAPNIYBPSV-UHFFFAOYSA-N 1 2 284.320 -2.543 20 0 CAADLO CN(CC[N@H+](C)Cc1ccn(C)n1)C(=O)Cn1cnnn1 ZINC001367515269 887385128 /nfs/dbraw/zinc/38/51/28/887385128.db2.gz BYKHXWLLAXJQFQ-UHFFFAOYSA-N 1 2 292.347 -1.003 20 0 CAADLO CN(CC[N@@H+](C)Cc1ccn(C)n1)C(=O)Cn1cnnn1 ZINC001367515269 887385141 /nfs/dbraw/zinc/38/51/41/887385141.db2.gz BYKHXWLLAXJQFQ-UHFFFAOYSA-N 1 2 292.347 -1.003 20 0 CAADLO CCNC(=O)C[N@H+](C)CCN(C)C(=O)[C@H]1CN(C)C(=O)N1 ZINC001367525799 887385165 /nfs/dbraw/zinc/38/51/65/887385165.db2.gz BLKNRPTUNKULBT-SNVBAGLBSA-N 1 2 299.375 -1.464 20 0 CAADLO CCNC(=O)C[N@@H+](C)CCN(C)C(=O)[C@H]1CN(C)C(=O)N1 ZINC001367525799 887385175 /nfs/dbraw/zinc/38/51/75/887385175.db2.gz BLKNRPTUNKULBT-SNVBAGLBSA-N 1 2 299.375 -1.464 20 0 CAADLO CN(CC[N@H+](C)CC(N)=O)C(=O)CN(C)C(=O)C1CC1 ZINC001367518808 887385484 /nfs/dbraw/zinc/38/54/84/887385484.db2.gz NQGVWHWOVJIDKU-UHFFFAOYSA-N 1 2 284.360 -1.270 20 0 CAADLO CN(CC[N@@H+](C)CC(N)=O)C(=O)CN(C)C(=O)C1CC1 ZINC001367518808 887385499 /nfs/dbraw/zinc/38/54/99/887385499.db2.gz NQGVWHWOVJIDKU-UHFFFAOYSA-N 1 2 284.360 -1.270 20 0 CAADLO CCNC(=O)C[N@H+](C)CCN(C)C(=O)c1nnn(C)n1 ZINC001367527508 887386101 /nfs/dbraw/zinc/38/61/01/887386101.db2.gz ZHSDWNBIWNDXNC-UHFFFAOYSA-N 1 2 283.336 -1.650 20 0 CAADLO CCNC(=O)C[N@@H+](C)CCN(C)C(=O)c1nnn(C)n1 ZINC001367527508 887386112 /nfs/dbraw/zinc/38/61/12/887386112.db2.gz ZHSDWNBIWNDXNC-UHFFFAOYSA-N 1 2 283.336 -1.650 20 0 CAADLO CC(=O)NCC(=O)NC[C@H](O)C[NH2+]Cc1csnn1 ZINC001367568162 887390219 /nfs/dbraw/zinc/39/02/19/887390219.db2.gz RVJGBKHQXRKEDM-SECBINFHSA-N 1 2 287.345 -1.759 20 0 CAADLO Cc1nnc(C[NH2+]C[C@H](O)CNC(=O)c2ccn[nH]2)o1 ZINC001367562189 887390632 /nfs/dbraw/zinc/39/06/32/887390632.db2.gz BUZHGVDEKYSZRX-QMMMGPOBSA-N 1 2 280.288 -1.018 20 0 CAADLO Cc1nnc(C[NH2+]C[C@@H](O)CNC(=O)c2ccn[nH]2)o1 ZINC001367562151 887391743 /nfs/dbraw/zinc/39/17/43/887391743.db2.gz BUZHGVDEKYSZRX-MRVPVSSYSA-N 1 2 280.288 -1.018 20 0 CAADLO CCOCC(=O)NC[C@H](O)C[NH2+]Cc1nnc(C)o1 ZINC001367566124 887392715 /nfs/dbraw/zinc/39/27/15/887392715.db2.gz DBIBDGUDESYZBN-SECBINFHSA-N 1 2 272.305 -1.019 20 0 CAADLO Cc1cc(C[NH2+]C[C@H](O)CNC(=O)c2cnn[nH]2)on1 ZINC001367601077 887407392 /nfs/dbraw/zinc/40/73/92/887407392.db2.gz DSMJLCSTMIULDA-QMMMGPOBSA-N 1 2 280.288 -1.018 20 0 CAADLO O=C(NC[C@H](O)C[NH2+]Cc1csnn1)c1cn[nH]n1 ZINC001367607982 887408629 /nfs/dbraw/zinc/40/86/29/887408629.db2.gz NSJFNYYYNDCXDE-SSDOTTSWSA-N 1 2 283.317 -1.463 20 0 CAADLO O=C(NC[C@H](O)C[NH2+]Cc1csnn1)c1cnon1 ZINC001367613328 887409524 /nfs/dbraw/zinc/40/95/24/887409524.db2.gz LJEWUCBWHHBPIM-SSDOTTSWSA-N 1 2 284.301 -1.198 20 0 CAADLO CCc1nnc(C[NH2+]C[C@@H](O)CNC(=O)c2cnon2)o1 ZINC001367616186 887411400 /nfs/dbraw/zinc/41/14/00/887411400.db2.gz SWSSEUFYALMVAP-SSDOTTSWSA-N 1 2 296.287 -1.105 20 0 CAADLO Cc1cnc(C[NH2+]C[C@@H](O)CNC(=O)Cc2nc[nH]n2)o1 ZINC001367625423 887412520 /nfs/dbraw/zinc/41/25/20/887412520.db2.gz QNKHJKHGOIIQMY-SECBINFHSA-N 1 2 294.315 -1.089 20 0 CAADLO Cc1nnc(C[NH2+]C[C@H](O)CNC(=O)c2ccn(C)n2)o1 ZINC001367623389 887413411 /nfs/dbraw/zinc/41/34/11/887413411.db2.gz KPIGFEPPXXURST-VIFPVBQESA-N 1 2 294.315 -1.008 20 0 CAADLO Cc1nccnc1C[NH2+]C[C@@H](O)CNC(=O)c1nc[nH]n1 ZINC001367663888 887418791 /nfs/dbraw/zinc/41/87/91/887418791.db2.gz NBRVRWZVJDQUQE-SECBINFHSA-N 1 2 291.315 -1.216 20 0 CAADLO CCc1noc(C[NH2+]C[C@@H](C)NC(=O)Cn2cnnn2)n1 ZINC001367660131 887420431 /nfs/dbraw/zinc/42/04/31/887420431.db2.gz YPIYBQYNVZJTNE-MRVPVSSYSA-N 1 2 294.319 -1.087 20 0 CAADLO C[C@H](C[NH2+][C@@H](C)c1nnnn1C)NC(=O)c1cn[nH]n1 ZINC001367684470 887423238 /nfs/dbraw/zinc/42/32/38/887423238.db2.gz NFCUDEXLOMJKOU-RQJHMYQMSA-N 1 2 279.308 -1.203 20 0 CAADLO C[C@H](C[NH2+][C@@H](C)c1nnnn1C)NC(=O)c1cnn[nH]1 ZINC001367684470 887423242 /nfs/dbraw/zinc/42/32/42/887423242.db2.gz NFCUDEXLOMJKOU-RQJHMYQMSA-N 1 2 279.308 -1.203 20 0 CAADLO C[C@@H](C[NH2+]Cc1nc(=O)n(C)[nH]1)NC(=O)c1n[nH]cc1F ZINC001367753939 887430422 /nfs/dbraw/zinc/43/04/22/887430422.db2.gz BJYFJSXYQQXRIK-LURJTMIESA-N 1 2 297.294 -1.121 20 0 CAADLO C[C@H](C[N@H+](C)Cc1cnnn1C)NC(=O)[C@@H]1COC(=O)N1 ZINC001367810003 887433717 /nfs/dbraw/zinc/43/37/17/887433717.db2.gz RFNZCGSERPPQHN-SCZZXKLOSA-N 1 2 296.331 -1.140 20 0 CAADLO C[C@H](C[N@@H+](C)Cc1cnnn1C)NC(=O)[C@@H]1COC(=O)N1 ZINC001367810003 887433725 /nfs/dbraw/zinc/43/37/25/887433725.db2.gz RFNZCGSERPPQHN-SCZZXKLOSA-N 1 2 296.331 -1.140 20 0 CAADLO C[C@H](C[N@H+](C)Cc1cnnn1C)NC(=O)[C@H]1COC(=O)N1 ZINC001367810000 887436198 /nfs/dbraw/zinc/43/61/98/887436198.db2.gz RFNZCGSERPPQHN-PSASIEDQSA-N 1 2 296.331 -1.140 20 0 CAADLO C[C@H](C[N@@H+](C)Cc1cnnn1C)NC(=O)[C@H]1COC(=O)N1 ZINC001367810000 887436204 /nfs/dbraw/zinc/43/62/04/887436204.db2.gz RFNZCGSERPPQHN-PSASIEDQSA-N 1 2 296.331 -1.140 20 0 CAADLO C[C@H](CC(N)=O)C(=O)NC[C@@H]1CC[N@@H+]1CC(=O)N1CCC1 ZINC001367953861 887440259 /nfs/dbraw/zinc/44/02/59/887440259.db2.gz UBVRNQUTUWIWLX-MNOVXSKESA-N 1 2 296.371 -1.079 20 0 CAADLO C[C@H](CC(N)=O)C(=O)NC[C@@H]1CC[N@H+]1CC(=O)N1CCC1 ZINC001367953861 887440266 /nfs/dbraw/zinc/44/02/66/887440266.db2.gz UBVRNQUTUWIWLX-MNOVXSKESA-N 1 2 296.371 -1.079 20 0 CAADLO CC[C@@H](C(N)=O)[N@@H+]1CC[C@@H]1CNC(=O)CNC(=O)NC ZINC001367948804 887440320 /nfs/dbraw/zinc/44/03/20/887440320.db2.gz KHZQVUGKZJABQZ-BDAKNGLRSA-N 1 2 285.348 -1.630 20 0 CAADLO CC[C@@H](C(N)=O)[N@H+]1CC[C@@H]1CNC(=O)CNC(=O)NC ZINC001367948804 887440326 /nfs/dbraw/zinc/44/03/26/887440326.db2.gz KHZQVUGKZJABQZ-BDAKNGLRSA-N 1 2 285.348 -1.630 20 0 CAADLO CNC(=O)CCCC(=O)NC[C@H]1CC[N@@H+]1[C@H]1CCNC1=O ZINC001367933931 887440559 /nfs/dbraw/zinc/44/05/59/887440559.db2.gz BLCXDRHITVRLRF-MNOVXSKESA-N 1 2 296.371 -1.018 20 0 CAADLO CNC(=O)CCCC(=O)NC[C@H]1CC[N@H+]1[C@H]1CCNC1=O ZINC001367933931 887440567 /nfs/dbraw/zinc/44/05/67/887440567.db2.gz BLCXDRHITVRLRF-MNOVXSKESA-N 1 2 296.371 -1.018 20 0 CAADLO CN(C)C(=O)C[N@@H+]1CC[C@H]1CNC(=O)C[C@@H]1CCNC1=O ZINC001367950601 887440789 /nfs/dbraw/zinc/44/07/89/887440789.db2.gz NHBYZTQXOHZOEH-QWRGUYRKSA-N 1 2 296.371 -1.209 20 0 CAADLO CN(C)C(=O)C[N@H+]1CC[C@H]1CNC(=O)C[C@@H]1CCNC1=O ZINC001367950601 887440796 /nfs/dbraw/zinc/44/07/96/887440796.db2.gz NHBYZTQXOHZOEH-QWRGUYRKSA-N 1 2 296.371 -1.209 20 0 CAADLO C[C@H](CC(N)=O)C(=O)NC[C@H]1CC[N@@H+]1CC(=O)N1CCC1 ZINC001367953860 887440840 /nfs/dbraw/zinc/44/08/40/887440840.db2.gz UBVRNQUTUWIWLX-GHMZBOCLSA-N 1 2 296.371 -1.079 20 0 CAADLO C[C@H](CC(N)=O)C(=O)NC[C@H]1CC[N@H+]1CC(=O)N1CCC1 ZINC001367953860 887440845 /nfs/dbraw/zinc/44/08/45/887440845.db2.gz UBVRNQUTUWIWLX-GHMZBOCLSA-N 1 2 296.371 -1.079 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+]1CC[C@H]1CNC(=O)Cn1cnnn1 ZINC001367935337 887440893 /nfs/dbraw/zinc/44/08/93/887440893.db2.gz VBPXARQXKBKAKB-IUCAKERBSA-N 1 2 281.320 -2.002 20 0 CAADLO CNC(=O)[C@H](C)[N@H+]1CC[C@H]1CNC(=O)Cn1cnnn1 ZINC001367935337 887440898 /nfs/dbraw/zinc/44/08/98/887440898.db2.gz VBPXARQXKBKAKB-IUCAKERBSA-N 1 2 281.320 -2.002 20 0 CAADLO CCC(=O)NCC(=O)NC[C@H]1CC[N@@H+]1[C@H]1CCN(C)C1=O ZINC001367936338 887441062 /nfs/dbraw/zinc/44/10/62/887441062.db2.gz OWLAXRJYOHIOMQ-MNOVXSKESA-N 1 2 296.371 -1.066 20 0 CAADLO CCC(=O)NCC(=O)NC[C@H]1CC[N@H+]1[C@H]1CCN(C)C1=O ZINC001367936338 887441072 /nfs/dbraw/zinc/44/10/72/887441072.db2.gz OWLAXRJYOHIOMQ-MNOVXSKESA-N 1 2 296.371 -1.066 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+]1CC[C@H]1CNC(=O)CN1CCOCC1 ZINC001367940536 887441756 /nfs/dbraw/zinc/44/17/56/887441756.db2.gz LQXFHHABQXONGY-RYUDHWBXSA-N 1 2 298.387 -1.356 20 0 CAADLO CNC(=O)[C@H](C)[N@H+]1CC[C@H]1CNC(=O)CN1CCOCC1 ZINC001367940536 887441767 /nfs/dbraw/zinc/44/17/67/887441767.db2.gz LQXFHHABQXONGY-RYUDHWBXSA-N 1 2 298.387 -1.356 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+]1CC[C@@H]1CNC(=O)CN1CCOCC1 ZINC001367940541 887442084 /nfs/dbraw/zinc/44/20/84/887442084.db2.gz LQXFHHABQXONGY-VXGBXAGGSA-N 1 2 298.387 -1.356 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+]1CC[C@@H]1CNC(=O)CN1CCOCC1 ZINC001367940541 887442091 /nfs/dbraw/zinc/44/20/91/887442091.db2.gz LQXFHHABQXONGY-VXGBXAGGSA-N 1 2 298.387 -1.356 20 0 CAADLO CNC(=O)CCCC(=O)NC[C@@H]1CC[N@@H+]1[C@@H]1CCNC1=O ZINC001367933933 887442554 /nfs/dbraw/zinc/44/25/54/887442554.db2.gz BLCXDRHITVRLRF-WDEREUQCSA-N 1 2 296.371 -1.018 20 0 CAADLO CNC(=O)CCCC(=O)NC[C@@H]1CC[N@H+]1[C@@H]1CCNC1=O ZINC001367933933 887442560 /nfs/dbraw/zinc/44/25/60/887442560.db2.gz BLCXDRHITVRLRF-WDEREUQCSA-N 1 2 296.371 -1.018 20 0 CAADLO CCNC(=O)CCC(=O)NC[C@H]1CC[N@@H+]1[C@H](C)C(N)=O ZINC001367934245 887442624 /nfs/dbraw/zinc/44/26/24/887442624.db2.gz KLKONFXAFKGYFO-NXEZZACHSA-N 1 2 284.360 -1.033 20 0 CAADLO CCNC(=O)CCC(=O)NC[C@H]1CC[N@H+]1[C@H](C)C(N)=O ZINC001367934245 887442630 /nfs/dbraw/zinc/44/26/30/887442630.db2.gz KLKONFXAFKGYFO-NXEZZACHSA-N 1 2 284.360 -1.033 20 0 CAADLO CNC(=O)CCCC(=O)NC[C@@H]1CC[N@@H+]1[C@H]1CCNC1=O ZINC001367933932 887442756 /nfs/dbraw/zinc/44/27/56/887442756.db2.gz BLCXDRHITVRLRF-QWRGUYRKSA-N 1 2 296.371 -1.018 20 0 CAADLO CNC(=O)CCCC(=O)NC[C@@H]1CC[N@H+]1[C@H]1CCNC1=O ZINC001367933932 887442767 /nfs/dbraw/zinc/44/27/67/887442767.db2.gz BLCXDRHITVRLRF-QWRGUYRKSA-N 1 2 296.371 -1.018 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+]1CC[C@@H]1CNC(=O)Cn1cnnn1 ZINC001367935335 887442786 /nfs/dbraw/zinc/44/27/86/887442786.db2.gz VBPXARQXKBKAKB-DTWKUNHWSA-N 1 2 281.320 -2.002 20 0 CAADLO CNC(=O)[C@H](C)[N@H+]1CC[C@@H]1CNC(=O)Cn1cnnn1 ZINC001367935335 887442791 /nfs/dbraw/zinc/44/27/91/887442791.db2.gz VBPXARQXKBKAKB-DTWKUNHWSA-N 1 2 281.320 -2.002 20 0 CAADLO C[C@@H](CC(N)=O)C(=O)NC[C@H]1CC[N@@H+]1CC(=O)N1CCC1 ZINC001367953863 887442835 /nfs/dbraw/zinc/44/28/35/887442835.db2.gz UBVRNQUTUWIWLX-WDEREUQCSA-N 1 2 296.371 -1.079 20 0 CAADLO C[C@@H](CC(N)=O)C(=O)NC[C@H]1CC[N@H+]1CC(=O)N1CCC1 ZINC001367953863 887442847 /nfs/dbraw/zinc/44/28/47/887442847.db2.gz UBVRNQUTUWIWLX-WDEREUQCSA-N 1 2 296.371 -1.079 20 0 CAADLO C[C@@H](CC(N)=O)C(=O)NC[C@@H]1CC[N@@H+]1CC(=O)N1CCC1 ZINC001367953862 887442878 /nfs/dbraw/zinc/44/28/78/887442878.db2.gz UBVRNQUTUWIWLX-QWRGUYRKSA-N 1 2 296.371 -1.079 20 0 CAADLO C[C@@H](CC(N)=O)C(=O)NC[C@@H]1CC[N@H+]1CC(=O)N1CCC1 ZINC001367953862 887442889 /nfs/dbraw/zinc/44/28/89/887442889.db2.gz UBVRNQUTUWIWLX-QWRGUYRKSA-N 1 2 296.371 -1.079 20 0 CAADLO Cn1nnnc1C[NH2+]C1(CNC(=O)[C@H]2CCOC2)CC1 ZINC001367990664 887445424 /nfs/dbraw/zinc/44/54/24/887445424.db2.gz SHHRCCCDROMIDI-VIFPVBQESA-N 1 2 280.332 -1.015 20 0 CAADLO CN1CC[C@H]([N@@H+]2CC[C@@H]2CNC(=O)Cn2cncn2)C1=O ZINC001367978408 887446208 /nfs/dbraw/zinc/44/62/08/887446208.db2.gz VDKNLONPLIHPQY-MNOVXSKESA-N 1 2 292.343 -1.301 20 0 CAADLO CN1CC[C@H]([N@H+]2CC[C@@H]2CNC(=O)Cn2cncn2)C1=O ZINC001367978408 887446223 /nfs/dbraw/zinc/44/62/23/887446223.db2.gz VDKNLONPLIHPQY-MNOVXSKESA-N 1 2 292.343 -1.301 20 0 CAADLO O=C(Cn1ncnn1)NCC1([NH2+]Cc2nncs2)CC1 ZINC001368003648 887448397 /nfs/dbraw/zinc/44/83/97/887448397.db2.gz RNQFOEGNVNOQDG-UHFFFAOYSA-N 1 2 294.344 -1.037 20 0 CAADLO Cn1nnnc1C[NH2+]C1(CNC(=O)CCCC(N)=O)CC1 ZINC001368043513 887450102 /nfs/dbraw/zinc/45/01/02/887450102.db2.gz WAUGDQMGGYQEHU-UHFFFAOYSA-N 1 2 295.347 -1.396 20 0 CAADLO O=C(Cn1ncnn1)NCC1([NH2+]Cc2ncccn2)CC1 ZINC001368002905 887450947 /nfs/dbraw/zinc/45/09/47/887450947.db2.gz MUKQSWANBOHCFX-UHFFFAOYSA-N 1 2 288.315 -1.098 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(N(C)C(=O)[C@]2(C)CCC(=O)N2)C1 ZINC001368082466 887452425 /nfs/dbraw/zinc/45/24/25/887452425.db2.gz LLBNYJWAXDDRIB-FZMZJTMJSA-N 1 2 299.371 -1.195 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(N(C)C(=O)c2nnn(C)n2)C1 ZINC001368075423 887452528 /nfs/dbraw/zinc/45/25/28/887452528.db2.gz NULZBPDTMKGNIT-VIFPVBQESA-N 1 2 284.320 -2.026 20 0 CAADLO CO[C@@H](C)C[NH+]1CC(O)(CNC(=O)CCn2cncn2)C1 ZINC001368281362 887465644 /nfs/dbraw/zinc/46/56/44/887465644.db2.gz OPGKMYWQADKJOC-NSHDSACASA-N 1 2 297.359 -1.134 20 0 CAADLO COC[C@H](O)C[NH+]1CC(O)(CNC(=O)CC(C)(C)O)C1 ZINC001368288731 887469177 /nfs/dbraw/zinc/46/91/77/887469177.db2.gz HJWZJDBZUSWVDA-SNVBAGLBSA-N 1 2 290.360 -1.682 20 0 CAADLO C[C@H](NC(N)=O)C(=O)NCC1(O)C[NH+](CCCO)C1 ZINC001368287077 887469509 /nfs/dbraw/zinc/46/95/09/887469509.db2.gz AFFCRZCGTZDRBN-QMMMGPOBSA-N 1 2 274.321 -2.412 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CC[C@@](O)(CNC(=O)Cc2nnc[nH]2)C1 ZINC001368281978 887469907 /nfs/dbraw/zinc/46/99/07/887469907.db2.gz RXNJIYAVOPZFMJ-QPUJVOFHSA-N 1 2 296.331 -2.226 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CC[C@@](O)(CNC(=O)Cc2nnc[nH]2)C1 ZINC001368281978 887469910 /nfs/dbraw/zinc/46/99/10/887469910.db2.gz RXNJIYAVOPZFMJ-QPUJVOFHSA-N 1 2 296.331 -2.226 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)Cc2nnc[nH]2)C1 ZINC001368284001 887469953 /nfs/dbraw/zinc/46/99/53/887469953.db2.gz XELUUZQQIAPUPR-LBPRGKRZSA-N 1 2 296.331 -2.354 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)Cc2nnc[nH]2)C1 ZINC001368284001 887469955 /nfs/dbraw/zinc/46/99/55/887469955.db2.gz XELUUZQQIAPUPR-LBPRGKRZSA-N 1 2 296.331 -2.354 20 0 CAADLO CO[C@H](C)C[NH+]1CC(O)(CNC(=O)[C@H](C)NC(N)=O)C1 ZINC001368291041 887470820 /nfs/dbraw/zinc/47/08/20/887470820.db2.gz NTBBOBDIEBNXCY-BDAKNGLRSA-N 1 2 288.348 -1.759 20 0 CAADLO O=C(NCC1(O)C[NH+](CCCO)C1)[C@H]1[C@@H]2COC[C@@H]21 ZINC001368300782 887472689 /nfs/dbraw/zinc/47/26/89/887472689.db2.gz BSAJBDWFMRMMNZ-URLYPYJESA-N 1 2 270.329 -1.576 20 0 CAADLO COC[C@H](O)C[NH+]1CC(O)(CNC(=O)[C@H]2CC2(F)F)C1 ZINC001368295399 887472724 /nfs/dbraw/zinc/47/27/24/887472724.db2.gz HMTHJIRLPHIBHD-RKDXNWHRSA-N 1 2 294.298 -1.188 20 0 CAADLO CC[C@H](C[NH+]1CC(O)(CNC(=O)c2nnn(C)n2)C1)OC ZINC001368303315 887473399 /nfs/dbraw/zinc/47/33/99/887473399.db2.gz IDNOWXWKKNBBAY-SECBINFHSA-N 1 2 298.347 -1.588 20 0 CAADLO C[C@H](O)C[NH+]1CC(O)(CNC(=O)[C@@H]2CCNC(=O)CC2)C1 ZINC001368299111 887473460 /nfs/dbraw/zinc/47/34/60/887473460.db2.gz CXFPPWPIGXPTHM-QWRGUYRKSA-N 1 2 299.371 -1.554 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(O)(CNC(=O)c2n[nH]cc2C)C1 ZINC001368296929 887473543 /nfs/dbraw/zinc/47/35/43/887473543.db2.gz UIKZXDFTJPHRRE-JTQLQIEISA-N 1 2 298.343 -1.498 20 0 CAADLO CC[NH+]1CC(O)(CNC(=O)CN2CCOCC2=O)C1 ZINC001368303132 887473595 /nfs/dbraw/zinc/47/35/95/887473595.db2.gz WUXAQSCKYRGRHV-UHFFFAOYSA-N 1 2 271.317 -1.972 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(O)(CNC(=O)[C@@H](C)OC)C1 ZINC001368292344 887474178 /nfs/dbraw/zinc/47/41/78/887474178.db2.gz PNXBZBJMPSATOS-ZJUUUORDSA-N 1 2 276.333 -1.809 20 0 CAADLO C[C@H](O)C[NH+]1CC(O)(CNC(=O)[C@@H]2COC(=O)N2)C1 ZINC001368296733 887474203 /nfs/dbraw/zinc/47/42/03/887474203.db2.gz JBTMRAHHTRFZIA-YUMQZZPRSA-N 1 2 273.289 -2.362 20 0 CAADLO COC[C@@H](OC)C(=O)NCC1(O)C[NH+]([C@@H](C)COC)C1 ZINC001368314543 887476112 /nfs/dbraw/zinc/47/61/12/887476112.db2.gz IDEHIKQQMCAYBI-WDEREUQCSA-N 1 2 290.360 -1.154 20 0 CAADLO COC[C@@H](C)[NH+]1CC(O)(CNC(=O)[C@@H](COC)OC)C1 ZINC001368314517 887475931 /nfs/dbraw/zinc/47/59/31/887475931.db2.gz IDEHIKQQMCAYBI-GHMZBOCLSA-N 1 2 290.360 -1.154 20 0 CAADLO COC[C@H](C)[NH+]1CC(O)(CNC(=O)[C@H](COC)OC)C1 ZINC001368314536 887476339 /nfs/dbraw/zinc/47/63/39/887476339.db2.gz IDEHIKQQMCAYBI-QWRGUYRKSA-N 1 2 290.360 -1.154 20 0 CAADLO O=C(NCC1(O)C[NH+](CCCO)C1)[C@]1(F)CCOC1 ZINC001368307813 887476641 /nfs/dbraw/zinc/47/66/41/887476641.db2.gz OVHZBHYSRKRBSB-LBPRGKRZSA-N 1 2 276.308 -1.340 20 0 CAADLO Cn1ncc(CCC(=O)NCC2(O)C[NH+](CCCO)C2)n1 ZINC001368313390 887476855 /nfs/dbraw/zinc/47/68/55/887476855.db2.gz DZYFNSINKGVRKO-UHFFFAOYSA-N 1 2 297.359 -1.707 20 0 CAADLO C[C@@H](O)C[NH+]1CC(O)(CNC(=O)c2cccn(C)c2=O)C1 ZINC001368320811 887476882 /nfs/dbraw/zinc/47/68/82/887476882.db2.gz NOZDRCRPSYUFNO-SNVBAGLBSA-N 1 2 295.339 -1.457 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(O)(CNC(=O)c2ccncc2)C1 ZINC001368311025 887477386 /nfs/dbraw/zinc/47/73/86/887477386.db2.gz HLKVUDWBAJMFHC-LBPRGKRZSA-N 1 2 295.339 -1.135 20 0 CAADLO C[C@H](O)C[NH+]1CC(O)(CNC(=O)[C@H]2CCCC(=O)N2)C1 ZINC001368305125 887477461 /nfs/dbraw/zinc/47/74/61/887477461.db2.gz QSYUICZBRKSTLQ-VHSXEESVSA-N 1 2 285.344 -1.801 20 0 CAADLO CO[C@H](C)C[NH+]1CC(O)(CNC(=O)Cc2nc[nH]n2)C1 ZINC001368320658 887477486 /nfs/dbraw/zinc/47/74/86/887477486.db2.gz IVRCSRKNDBMSBS-SECBINFHSA-N 1 2 283.332 -1.455 20 0 CAADLO C[C@H](O)C[NH+]1CC(O)(CNC(=O)c2cccn(C)c2=O)C1 ZINC001368320808 887477840 /nfs/dbraw/zinc/47/78/40/887477840.db2.gz NOZDRCRPSYUFNO-JTQLQIEISA-N 1 2 295.339 -1.457 20 0 CAADLO CNC(=O)C[NH2+][C@@H](C)[C@H]1CCN(C(=O)Cc2ncn[nH]2)C1 ZINC001368332437 887479501 /nfs/dbraw/zinc/47/95/01/887479501.db2.gz COVYCACCKXPESP-UWVGGRQHSA-N 1 2 294.359 -1.080 20 0 CAADLO CNC(=O)C[NH2+][C@@H](C)[C@@H]1CCN(C(=O)Cc2ncn[nH]2)C1 ZINC001368332439 887479524 /nfs/dbraw/zinc/47/95/24/887479524.db2.gz COVYCACCKXPESP-VHSXEESVSA-N 1 2 294.359 -1.080 20 0 CAADLO C[C@@H]1CN(C(=O)Cc2ncn[nH]2)C[C@@H]1C[NH2+]CC(N)=O ZINC001368349208 887479631 /nfs/dbraw/zinc/47/96/31/887479631.db2.gz JNJVRUHSRGWMNE-BDAKNGLRSA-N 1 2 280.332 -1.483 20 0 CAADLO CC(=O)N[C@@]1(CO)CCC[N@H+](CC(=O)NC(N)=O)C1 ZINC001368363825 887479746 /nfs/dbraw/zinc/47/97/46/887479746.db2.gz KLDAUKDAANZAKG-NSHDSACASA-N 1 2 272.305 -1.856 20 0 CAADLO CC(=O)N[C@@]1(CO)CCC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001368363825 887479749 /nfs/dbraw/zinc/47/97/49/887479749.db2.gz KLDAUKDAANZAKG-NSHDSACASA-N 1 2 272.305 -1.856 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@@](CO)(NC(=O)[C@H]2CCCOC2)C1 ZINC001368374248 887484550 /nfs/dbraw/zinc/48/45/50/887484550.db2.gz QELYIBITVUJPQH-SMDDNHRTSA-N 1 2 299.371 -1.159 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@@](CO)(NC(=O)[C@H]2CCCOC2)C1 ZINC001368374248 887484557 /nfs/dbraw/zinc/48/45/57/887484557.db2.gz QELYIBITVUJPQH-SMDDNHRTSA-N 1 2 299.371 -1.159 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@@](CO)(NC(=O)[C@@H]2CCCOC2)C1 ZINC001368374199 887484837 /nfs/dbraw/zinc/48/48/37/887484837.db2.gz QELYIBITVUJPQH-BXUZGUMPSA-N 1 2 299.371 -1.159 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@@](CO)(NC(=O)[C@@H]2CCCOC2)C1 ZINC001368374199 887484840 /nfs/dbraw/zinc/48/48/40/887484840.db2.gz QELYIBITVUJPQH-BXUZGUMPSA-N 1 2 299.371 -1.159 20 0 CAADLO CNC(=O)[C@H](C)[NH2+]CCN(CCO)C(=O)Cc1ncn[nH]1 ZINC001368402930 887486252 /nfs/dbraw/zinc/48/62/52/887486252.db2.gz ZJVKRJFLVDFVRY-VIFPVBQESA-N 1 2 298.347 -2.108 20 0 CAADLO O=C(Cn1ncnn1)NC[C@@H]1COCC[N@H+]1CCCF ZINC001368443391 887488357 /nfs/dbraw/zinc/48/83/57/887488357.db2.gz TZFDSFGCMVLXRH-SNVBAGLBSA-N 1 2 286.311 -1.150 20 0 CAADLO O=C(Cn1ncnn1)NC[C@@H]1COCC[N@@H+]1CCCF ZINC001368443391 887488367 /nfs/dbraw/zinc/48/83/67/887488367.db2.gz TZFDSFGCMVLXRH-SNVBAGLBSA-N 1 2 286.311 -1.150 20 0 CAADLO COCC(=O)N[C@@H]1COC2(C[NH+](C[C@H](O)COC)C2)C1 ZINC001368585358 887493122 /nfs/dbraw/zinc/49/31/22/887493122.db2.gz XMEQHBBNXNYOGP-QWRGUYRKSA-N 1 2 288.344 -1.400 20 0 CAADLO CNC(=O)NCC(=O)N[C@@H]1COC2(C[NH+](CCO)C2)C1 ZINC001368603588 887493335 /nfs/dbraw/zinc/49/33/35/887493335.db2.gz MMCDZSSNMBDUTL-VIFPVBQESA-N 1 2 286.332 -2.133 20 0 CAADLO COCC(=O)N[C@H]1COC2(C[NH+](C[C@H](O)COC)C2)C1 ZINC001368585355 887493927 /nfs/dbraw/zinc/49/39/27/887493927.db2.gz XMEQHBBNXNYOGP-MNOVXSKESA-N 1 2 288.344 -1.400 20 0 CAADLO O=C(CCn1cnnn1)N[C@@H]1COC2(C[NH+](CCO)C2)C1 ZINC001368595719 887494598 /nfs/dbraw/zinc/49/45/98/887494598.db2.gz VGUKUJNMCMUJRA-JTQLQIEISA-N 1 2 296.331 -1.985 20 0 CAADLO CC(=O)NCC(=O)N[C@@H]1COC2(C[NH+](CCO)C2)C1 ZINC001368578356 887494701 /nfs/dbraw/zinc/49/47/01/887494701.db2.gz INPPQEGGBXMIQN-JTQLQIEISA-N 1 2 271.317 -1.926 20 0 CAADLO C[C@@H](CCNC(=O)Cc1nnc[nH]1)[NH2+]Cc1nnnn1C ZINC001368743976 887500063 /nfs/dbraw/zinc/50/00/63/887500063.db2.gz MPYOSYXFEHSVNJ-QMMMGPOBSA-N 1 2 293.335 -1.445 20 0 CAADLO NC(=O)C[NH+]1CCC(CO)(NC(=O)[C@@H]2CCC(=O)N2)CC1 ZINC001368771922 887501591 /nfs/dbraw/zinc/50/15/91/887501591.db2.gz MYLSJSFYJBIDDY-VIFPVBQESA-N 1 2 298.343 -2.307 20 0 CAADLO CN(CC(C)(C)C[NH2+]CC(N)=O)C(=O)Cc1ncn[nH]1 ZINC001368922213 887504492 /nfs/dbraw/zinc/50/44/92/887504492.db2.gz BCTVEDFCQSBRTE-UHFFFAOYSA-N 1 2 282.348 -1.093 20 0 CAADLO CC(=O)NCC(=O)N[C@H](C)[C@H](C)[NH2+]Cc1nnn(C)n1 ZINC001368832897 887505420 /nfs/dbraw/zinc/50/54/20/887505420.db2.gz LHKASGJKFVZYHM-JGVFFNPUSA-N 1 2 283.336 -1.671 20 0 CAADLO C[C@H](O)C[NH+]1CC(CCO)(NC(=O)[C@H](C)NC(N)=O)C1 ZINC001369018746 887513129 /nfs/dbraw/zinc/51/31/29/887513129.db2.gz UFCUGCNNQCWRIG-IUCAKERBSA-N 1 2 288.348 -2.023 20 0 CAADLO C[C@@H](O)C[NH+]1CC(CCO)(NC(=O)[C@H](C)NC(N)=O)C1 ZINC001369018727 887514584 /nfs/dbraw/zinc/51/45/84/887514584.db2.gz UFCUGCNNQCWRIG-BDAKNGLRSA-N 1 2 288.348 -2.023 20 0 CAADLO C[N@@H+]1CCO[C@@H](C(=O)NC2(CCO)CN(CCF)C2)C1 ZINC001369018984 887515688 /nfs/dbraw/zinc/51/56/88/887515688.db2.gz YQCBXDYRZOBPAB-LLVKDONJSA-N 1 2 289.351 -1.161 20 0 CAADLO C[N@H+]1CCO[C@@H](C(=O)NC2(CCO)CN(CCF)C2)C1 ZINC001369018984 887515701 /nfs/dbraw/zinc/51/57/01/887515701.db2.gz YQCBXDYRZOBPAB-LLVKDONJSA-N 1 2 289.351 -1.161 20 0 CAADLO O=C(NC1(CCO)C[NH+](CCCO)C1)[C@@H]1COC(=O)N1 ZINC001369018131 887516448 /nfs/dbraw/zinc/51/64/48/887516448.db2.gz KRTMHUJQDDFRCQ-VIFPVBQESA-N 1 2 287.316 -1.970 20 0 CAADLO CNC(=O)C[NH+]1CC([C@@H](C)NC(=O)CCc2nnc[nH]2)C1 ZINC001369072113 887517138 /nfs/dbraw/zinc/51/71/38/887517138.db2.gz FXRAOVGQSMKBEK-SECBINFHSA-N 1 2 294.359 -1.080 20 0 CAADLO Cc1[nH]c(=O)[nH]c1C(=O)NC1(CCO)C[NH+](C[C@H](C)O)C1 ZINC001369021504 887517369 /nfs/dbraw/zinc/51/73/69/887517369.db2.gz GLGKUOLFXABANL-QMMMGPOBSA-N 1 2 298.343 -1.029 20 0 CAADLO C[C@H](CC(N)=O)C(=O)NC1(CCO)C[NH+](CCCO)C1 ZINC001369025385 887517681 /nfs/dbraw/zinc/51/76/81/887517681.db2.gz LKSBMNAAXXJRBL-SNVBAGLBSA-N 1 2 287.360 -1.567 20 0 CAADLO CC[NH+]1CC(CCO)(NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001369031711 887518889 /nfs/dbraw/zinc/51/88/89/887518889.db2.gz MNYYPLMTIGJWAR-VHSXEESVSA-N 1 2 285.344 -1.408 20 0 CAADLO CC[NH+]1CC(CCO)(NC(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001369023250 887519160 /nfs/dbraw/zinc/51/91/60/887519160.db2.gz JEPSOHILRVYEOU-UHFFFAOYSA-N 1 2 296.327 -1.478 20 0 CAADLO C[C@@H](O)C[NH+]1CC(CCO)(NC(=O)[C@H]2CCC(=O)NC2)C1 ZINC001369020755 887519269 /nfs/dbraw/zinc/51/92/69/887519269.db2.gz LHJFZJJADPVBBG-MNOVXSKESA-N 1 2 299.371 -1.554 20 0 CAADLO CNC(=O)C[NH+]1CC([C@H](C)NC(=O)CN2CCCC2=O)C1 ZINC001369067927 887519687 /nfs/dbraw/zinc/51/96/87/887519687.db2.gz FNTUXUKGJKLYLS-JTQLQIEISA-N 1 2 296.371 -1.209 20 0 CAADLO CCC(=O)N[C@H](C)C(=O)N[C@@H](C)C1C[NH+](CC(N)=O)C1 ZINC001369070522 887519734 /nfs/dbraw/zinc/51/97/34/887519734.db2.gz DFKYFXFKSWZJPH-DTWKUNHWSA-N 1 2 284.360 -1.177 20 0 CAADLO O=C(CCN1CCCC1=O)NC1(CCO)C[NH+](CCO)C1 ZINC001369036639 887519940 /nfs/dbraw/zinc/51/99/40/887519940.db2.gz TXPXUFYGZTWWRV-UHFFFAOYSA-N 1 2 299.371 -1.456 20 0 CAADLO CC1(C)C[N@H+](CC(N)=O)C[C@@H]1NC(=O)CCn1cncn1 ZINC001369112315 887521435 /nfs/dbraw/zinc/52/14/35/887521435.db2.gz SUYQFDKYOYMQGO-JTQLQIEISA-N 1 2 294.359 -1.020 20 0 CAADLO CC1(C)C[N@@H+](CC(N)=O)C[C@@H]1NC(=O)CCn1cncn1 ZINC001369112315 887521449 /nfs/dbraw/zinc/52/14/49/887521449.db2.gz SUYQFDKYOYMQGO-JTQLQIEISA-N 1 2 294.359 -1.020 20 0 CAADLO C[C@@H](NC(=O)C[C@H]1CCC(=O)N1)C1C[NH+](CC(N)=O)C1 ZINC001369092758 887522859 /nfs/dbraw/zinc/52/28/59/887522859.db2.gz UPILWQFVQGZKQW-PSASIEDQSA-N 1 2 282.344 -1.423 20 0 CAADLO COCC(=O)N[C@H]1C[N@H+](CC(=O)NC(N)=O)CC1(C)C ZINC001369104479 887523428 /nfs/dbraw/zinc/52/34/28/887523428.db2.gz BXGOGDSYJBYYNK-QMMMGPOBSA-N 1 2 286.332 -1.346 20 0 CAADLO COCC(=O)N[C@H]1C[N@@H+](CC(=O)NC(N)=O)CC1(C)C ZINC001369104479 887523432 /nfs/dbraw/zinc/52/34/32/887523432.db2.gz BXGOGDSYJBYYNK-QMMMGPOBSA-N 1 2 286.332 -1.346 20 0 CAADLO CCn1ncc(C[NH2+][C@@H](CO)CNC(=O)[C@@H](C)OC)n1 ZINC001369304217 887528896 /nfs/dbraw/zinc/52/88/96/887528896.db2.gz GPLFVUJSKJEMNG-MWLCHTKSSA-N 1 2 285.348 -1.100 20 0 CAADLO C[C@H]([NH2+][C@@H](CO)CNC(=O)c1cocn1)c1nnnn1C ZINC001369306337 887530968 /nfs/dbraw/zinc/53/09/68/887530968.db2.gz BLNWMQHZJGHYQY-JGVFFNPUSA-N 1 2 295.303 -1.360 20 0 CAADLO Cc1nonc1C[NH2+][C@H](CO)CNC(=O)c1ccn[nH]1 ZINC001369309533 887532101 /nfs/dbraw/zinc/53/21/01/887532101.db2.gz QDZLASZFMKOYHD-QMMMGPOBSA-N 1 2 280.288 -1.018 20 0 CAADLO CO[C@H](C)C(=O)NC[C@@H](CO)[NH2+]Cc1nnnn1C ZINC001369307455 887532114 /nfs/dbraw/zinc/53/21/14/887532114.db2.gz LSRRBTJFODTNBH-SFYZADRCSA-N 1 2 272.309 -2.188 20 0 CAADLO CO[C@@H](C)C(=O)NC[C@H](CO)[NH2+]Cc1nnnn1C ZINC001369307453 887532271 /nfs/dbraw/zinc/53/22/71/887532271.db2.gz LSRRBTJFODTNBH-JGVFFNPUSA-N 1 2 272.309 -2.188 20 0 CAADLO C[C@H]([NH2+][C@H](CO)CNC(=O)c1cocn1)c1nnnn1C ZINC001369306344 887532795 /nfs/dbraw/zinc/53/27/95/887532795.db2.gz BLNWMQHZJGHYQY-YUMQZZPRSA-N 1 2 295.303 -1.360 20 0 CAADLO O=C(NC[C@@H](CO)[NH2+]Cc1nccs1)[C@H]1CCC(=O)N1 ZINC001369310073 887533046 /nfs/dbraw/zinc/53/30/46/887533046.db2.gz KVEKAJJGPCPDTC-DTWKUNHWSA-N 1 2 298.368 -1.012 20 0 CAADLO CC(C)OCC(=O)NC[C@@H](CO)[NH2+]Cc1nncn1C ZINC001369306273 887533602 /nfs/dbraw/zinc/53/36/02/887533602.db2.gz BIINENOOVLAHRN-JTQLQIEISA-N 1 2 285.348 -1.193 20 0 CAADLO Cc1cc(C(=O)NC[C@@H](CO)[NH2+]Cc2nncn2C)on1 ZINC001369316948 887534701 /nfs/dbraw/zinc/53/47/01/887534701.db2.gz XELZEMZKPRQANP-VIFPVBQESA-N 1 2 294.315 -1.008 20 0 CAADLO CC[C@@H](OC)C(=O)NC[C@H](CO)[NH2+]Cc1nncn1C ZINC001369314630 887534725 /nfs/dbraw/zinc/53/47/25/887534725.db2.gz SMTMPCJVJBHPRE-NXEZZACHSA-N 1 2 285.348 -1.193 20 0 CAADLO Cc1cc(C(=O)NC[C@H](CO)[NH2+]Cc2nncn2C)on1 ZINC001369316947 887535414 /nfs/dbraw/zinc/53/54/14/887535414.db2.gz XELZEMZKPRQANP-SECBINFHSA-N 1 2 294.315 -1.008 20 0 CAADLO Cn1[nH]c(C[NH2+][C@@H](CO)CNC(=O)CC2CCC2)nc1=O ZINC001369315549 887535688 /nfs/dbraw/zinc/53/56/88/887535688.db2.gz VRYOPOOPTLNSJG-SNVBAGLBSA-N 1 2 297.359 -1.135 20 0 CAADLO Cn1nnnc1C[NH2+][C@@H](CO)CNC(=O)CC1CCC1 ZINC001369314974 887535715 /nfs/dbraw/zinc/53/57/15/887535715.db2.gz SVUOFVNBTBGVEC-SNVBAGLBSA-N 1 2 282.348 -1.033 20 0 CAADLO CC(=O)N[C@@H](C)C(=O)NC[C@@H](CO)[NH2+]Cc1nnc(C)[nH]1 ZINC001369312505 887535767 /nfs/dbraw/zinc/53/57/67/887535767.db2.gz NTRWEVRCOJMLJG-XVKPBYJWSA-N 1 2 298.347 -1.796 20 0 CAADLO Cc1nonc1C[NH2+][C@H](CO)CNC(=O)c1ccnn1C ZINC001369313002 887536929 /nfs/dbraw/zinc/53/69/29/887536929.db2.gz PZYWRUOULRFXBT-VIFPVBQESA-N 1 2 294.315 -1.008 20 0 CAADLO Cn1[nH]c(C[NH2+][C@H](CO)CNC(=O)[C@H]2CCOC2)nc1=O ZINC001369311171 887537365 /nfs/dbraw/zinc/53/73/65/887537365.db2.gz LVELNMPSHRDTOD-IUCAKERBSA-N 1 2 299.331 -2.288 20 0 CAADLO Cn1cnnc1C[NH2+][C@@H](CO)CNC(=O)C[C@H]1CCOC1 ZINC001369320398 887539339 /nfs/dbraw/zinc/53/93/39/887539339.db2.gz OJFJGXYMHSXTPL-GHMZBOCLSA-N 1 2 297.359 -1.192 20 0 CAADLO Cc1conc1C[NH2+][C@H](CO)CNC(=O)[C@H]1CCC(=O)N1 ZINC001369318128 887539368 /nfs/dbraw/zinc/53/93/68/887539368.db2.gz DIGPJCRHYLCEEX-VHSXEESVSA-N 1 2 296.327 -1.172 20 0 CAADLO Cc1nnc(C[NH2+][C@H](CO)CNC(=O)c2cn(C)cn2)[nH]1 ZINC001369320889 887540389 /nfs/dbraw/zinc/54/03/89/887540389.db2.gz IYJIRYRQFFUTIT-VIFPVBQESA-N 1 2 293.331 -1.273 20 0 CAADLO Cn1nnnc1C[NH2+][C@@H](CO)CNC(=O)Cc1ccon1 ZINC001369318152 887540487 /nfs/dbraw/zinc/54/04/87/887540487.db2.gz DPGPMEFAGNDLFA-SECBINFHSA-N 1 2 295.303 -1.993 20 0 CAADLO Cn1nnnc1C[NH2+][C@H](CO)CNC(=O)Cc1ccon1 ZINC001369318154 887540990 /nfs/dbraw/zinc/54/09/90/887540990.db2.gz DPGPMEFAGNDLFA-VIFPVBQESA-N 1 2 295.303 -1.993 20 0 CAADLO NC(=O)C[NH2+][C@@H](CO)CNC(=O)C(F)C(F)(F)F ZINC001369330895 887541861 /nfs/dbraw/zinc/54/18/61/887541861.db2.gz YFLUEIXDCICVGK-XINAWCOVSA-N 1 2 275.202 -1.561 20 0 CAADLO NC(=O)C[NH2+][C@@H](CO)CNC(=O)[C@H](F)C(F)(F)F ZINC001369330895 887541874 /nfs/dbraw/zinc/54/18/74/887541874.db2.gz YFLUEIXDCICVGK-XINAWCOVSA-N 1 2 275.202 -1.561 20 0 CAADLO COC1CC(C(=O)NC[C@H](CO)[NH2+]Cc2nnnn2C)C1 ZINC001369329705 887542467 /nfs/dbraw/zinc/54/24/67/887542467.db2.gz BTXLMOOXIYVMHW-HWOCKDDLSA-N 1 2 298.347 -1.798 20 0 CAADLO NC(=O)C[NH2+][C@H](CO)CNC(=O)C(F)C(F)(F)F ZINC001369330888 887542635 /nfs/dbraw/zinc/54/26/35/887542635.db2.gz YFLUEIXDCICVGK-NJGYIYPDSA-N 1 2 275.202 -1.561 20 0 CAADLO NC(=O)C[NH2+][C@H](CO)CNC(=O)[C@H](F)C(F)(F)F ZINC001369330888 887542650 /nfs/dbraw/zinc/54/26/50/887542650.db2.gz YFLUEIXDCICVGK-NJGYIYPDSA-N 1 2 275.202 -1.561 20 0 CAADLO Cn1cnnc1C[NH2+][C@@H](CO)CNC(=O)c1cncnc1 ZINC001369325352 887544063 /nfs/dbraw/zinc/54/40/63/887544063.db2.gz OYJWHIWSFHKUBQ-SNVBAGLBSA-N 1 2 291.315 -1.514 20 0 CAADLO Cc1cc(C[NH2+][C@H](CO)CNC(=O)[C@@H]2CNC(=O)N2)no1 ZINC001369339738 887546050 /nfs/dbraw/zinc/54/60/50/887546050.db2.gz QJNZYAORGROXLB-UWVGGRQHSA-N 1 2 297.315 -1.769 20 0 CAADLO Cn1cc(C[NH2+][C@@H](CO)CNC(=O)[C@H]2COC(=O)N2)nn1 ZINC001369333673 887546676 /nfs/dbraw/zinc/54/66/76/887546676.db2.gz NNLTZJHIGMQCFZ-RKDXNWHRSA-N 1 2 298.303 -2.510 20 0 CAADLO Cc1cc(C[NH2+][C@H](CO)CNC(=O)[C@H]2CNC(=O)N2)no1 ZINC001369339747 887547396 /nfs/dbraw/zinc/54/73/96/887547396.db2.gz QJNZYAORGROXLB-VHSXEESVSA-N 1 2 297.315 -1.769 20 0 CAADLO COCC1(C(=O)NC[C@@H](CO)[NH2+]Cc2nnnn2C)CC1 ZINC001369335283 887547785 /nfs/dbraw/zinc/54/77/85/887547785.db2.gz FMTSOZFIOUIDDB-VIFPVBQESA-N 1 2 298.347 -1.797 20 0 CAADLO Cn1nnnc1C[NH2+][C@@H](CO)CNC(=O)c1ccnnc1 ZINC001369360551 887554945 /nfs/dbraw/zinc/55/49/45/887554945.db2.gz PTPXMTFHGRDJBY-SECBINFHSA-N 1 2 292.303 -2.119 20 0 CAADLO CN1C[C@H](C(=O)NC[C@H](CO)[NH2+]Cc2ccon2)CC1=O ZINC001369350685 887555002 /nfs/dbraw/zinc/55/50/02/887555002.db2.gz YNFRQEOFJOVUIT-MWLCHTKSSA-N 1 2 296.327 -1.280 20 0 CAADLO CC[C@@H]1C[C@H]1C(=O)NC[C@H](CO)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001369361097 887555023 /nfs/dbraw/zinc/55/50/23/887555023.db2.gz IIRGXBZHXFZRGS-OPRDCNLKSA-N 1 2 297.359 -1.279 20 0 CAADLO Cc1nonc1C[NH2+][C@H](CO)CNC(=O)c1cnon1 ZINC001369360484 887555362 /nfs/dbraw/zinc/55/53/62/887555362.db2.gz GSXPOVGCWVCUDX-ZETCQYMHSA-N 1 2 282.260 -1.358 20 0 CAADLO C[C@H]([NH2+][C@H](CO)CNC(=O)c1cnon1)c1nncn1C ZINC001369366210 887556416 /nfs/dbraw/zinc/55/64/16/887556416.db2.gz SYZIYFBIYXUMLI-YUMQZZPRSA-N 1 2 295.303 -1.360 20 0 CAADLO CC[C@@H]1C[C@H]1C(=O)NC[C@H](CO)[NH2+]Cc1nnnn1C ZINC001369365150 887557465 /nfs/dbraw/zinc/55/74/65/887557465.db2.gz PBISGDSRWRUNQC-OPRDCNLKSA-N 1 2 282.348 -1.177 20 0 CAADLO C[C@@H]([NH2+][C@@H](CO)CNC(=O)c1cnon1)c1nncn1C ZINC001369366200 887557826 /nfs/dbraw/zinc/55/78/26/887557826.db2.gz SYZIYFBIYXUMLI-HTQZYQBOSA-N 1 2 295.303 -1.360 20 0 CAADLO C[C@H]([NH2+][C@@H](CO)CNC(=O)c1cnon1)c1nncn1C ZINC001369366203 887557850 /nfs/dbraw/zinc/55/78/50/887557850.db2.gz SYZIYFBIYXUMLI-JGVFFNPUSA-N 1 2 295.303 -1.360 20 0 CAADLO Cc1cnoc1C(=O)NC[C@H](CO)[NH2+]Cc1ncnn1C ZINC001369370500 887561424 /nfs/dbraw/zinc/56/14/24/887561424.db2.gz VYULRFROXKFSFI-SECBINFHSA-N 1 2 294.315 -1.008 20 0 CAADLO Cn1cc(C[NH2+][C@H](CO)CNC(=O)[C@]2(C)CCOC2)nn1 ZINC001369378527 887562401 /nfs/dbraw/zinc/56/24/01/887562401.db2.gz ZADWLLUDJIBHFL-WCQYABFASA-N 1 2 297.359 -1.192 20 0 CAADLO Cn1ccc(C(=O)NC[C@@H](CO)[NH2+]Cc2ncnn2C)n1 ZINC001369378205 887562783 /nfs/dbraw/zinc/56/27/83/887562783.db2.gz BLHNOLJWDQFVES-VIFPVBQESA-N 1 2 293.331 -1.571 20 0 CAADLO Cc1nonc1C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCC(=O)N1 ZINC001369380225 887562826 /nfs/dbraw/zinc/56/28/26/887562826.db2.gz LSNYDKLFOKKYKR-BDAKNGLRSA-N 1 2 297.315 -1.777 20 0 CAADLO Cc1nc[nH]c1C(=O)NC[C@H](CO)[NH2+]Cc1nnnn1C ZINC001369384807 887564231 /nfs/dbraw/zinc/56/42/31/887564231.db2.gz ILZQQFFYFDRRAL-MRVPVSSYSA-N 1 2 294.319 -1.878 20 0 CAADLO COCC[N@H+](CCNC(=O)c1cnnn1C)CC(N)=O ZINC001369551699 887581643 /nfs/dbraw/zinc/58/16/43/887581643.db2.gz OGRMHMNVSWLMKV-UHFFFAOYSA-N 1 2 284.320 -2.021 20 0 CAADLO COCC[N@@H+](CCNC(=O)c1cnnn1C)CC(N)=O ZINC001369551699 887581650 /nfs/dbraw/zinc/58/16/50/887581650.db2.gz OGRMHMNVSWLMKV-UHFFFAOYSA-N 1 2 284.320 -2.021 20 0 CAADLO COCC[N@H+](CCNC(=O)c1cc(C)n[nH]1)CC(N)=O ZINC001369550198 887582519 /nfs/dbraw/zinc/58/25/19/887582519.db2.gz CVPBKYLCMDRGQF-UHFFFAOYSA-N 1 2 283.332 -1.118 20 0 CAADLO COCC[N@@H+](CCNC(=O)c1cc(C)n[nH]1)CC(N)=O ZINC001369550198 887582527 /nfs/dbraw/zinc/58/25/27/887582527.db2.gz CVPBKYLCMDRGQF-UHFFFAOYSA-N 1 2 283.332 -1.118 20 0 CAADLO CNC(=O)C[N@H+](C)CCN(C(=O)Cn1cnnn1)C(C)C ZINC001369511667 887582678 /nfs/dbraw/zinc/58/26/78/887582678.db2.gz HTIVHPLKGGDMRG-UHFFFAOYSA-N 1 2 297.363 -1.412 20 0 CAADLO CNC(=O)C[N@@H+](C)CCN(C(=O)Cn1cnnn1)C(C)C ZINC001369511667 887582686 /nfs/dbraw/zinc/58/26/86/887582686.db2.gz HTIVHPLKGGDMRG-UHFFFAOYSA-N 1 2 297.363 -1.412 20 0 CAADLO CNC(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)Cc1ccn[nH]1 ZINC001369500556 887585071 /nfs/dbraw/zinc/58/50/71/887585071.db2.gz UEYGMSZVIGYCOE-NSHDSACASA-N 1 2 297.359 -1.551 20 0 CAADLO CNC(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)Cc1ccn[nH]1 ZINC001369500556 887585085 /nfs/dbraw/zinc/58/50/85/887585085.db2.gz UEYGMSZVIGYCOE-NSHDSACASA-N 1 2 297.359 -1.551 20 0 CAADLO COCC[N@H+](CCNC(=O)[C@@H]1COC(=O)N1)CC(N)=O ZINC001369555507 887586356 /nfs/dbraw/zinc/58/63/56/887586356.db2.gz YUQQUKHKROZAMZ-QMMMGPOBSA-N 1 2 288.304 -2.355 20 0 CAADLO COCC[N@@H+](CCNC(=O)[C@@H]1COC(=O)N1)CC(N)=O ZINC001369555507 887586369 /nfs/dbraw/zinc/58/63/69/887586369.db2.gz YUQQUKHKROZAMZ-QMMMGPOBSA-N 1 2 288.304 -2.355 20 0 CAADLO COCC[N@H+](CCF)CCNC(=O)[C@H]1CNC(=O)N1 ZINC001369563754 887586918 /nfs/dbraw/zinc/58/69/18/887586918.db2.gz SGBDEQDUBOKXDH-SECBINFHSA-N 1 2 276.312 -1.298 20 0 CAADLO COCC[N@@H+](CCF)CCNC(=O)[C@H]1CNC(=O)N1 ZINC001369563754 887586933 /nfs/dbraw/zinc/58/69/33/887586933.db2.gz SGBDEQDUBOKXDH-SECBINFHSA-N 1 2 276.312 -1.298 20 0 CAADLO COCC[N@H+](CCNC(=O)[C@H]1COC(=O)N1)CC(N)=O ZINC001369555505 887587555 /nfs/dbraw/zinc/58/75/55/887587555.db2.gz YUQQUKHKROZAMZ-MRVPVSSYSA-N 1 2 288.304 -2.355 20 0 CAADLO COCC[N@@H+](CCNC(=O)[C@H]1COC(=O)N1)CC(N)=O ZINC001369555505 887587559 /nfs/dbraw/zinc/58/75/59/887587559.db2.gz YUQQUKHKROZAMZ-MRVPVSSYSA-N 1 2 288.304 -2.355 20 0 CAADLO CNC(=O)C[N@@H+]1CCC[C@H](NC(=O)CCn2ccnn2)C1 ZINC001369800176 887590762 /nfs/dbraw/zinc/59/07/62/887590762.db2.gz NCUXCJIAQSKCRM-NSHDSACASA-N 1 2 294.359 -1.005 20 0 CAADLO CNC(=O)C[N@H+]1CCC[C@H](NC(=O)CCn2ccnn2)C1 ZINC001369800176 887590770 /nfs/dbraw/zinc/59/07/70/887590770.db2.gz NCUXCJIAQSKCRM-NSHDSACASA-N 1 2 294.359 -1.005 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@H](NC(=O)CCc2nnc[nH]2)C1 ZINC001369793390 887591177 /nfs/dbraw/zinc/59/11/77/887591177.db2.gz CNAZLBLCDCIUTA-VIFPVBQESA-N 1 2 280.332 -1.197 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@H](NC(=O)CCc2nnc[nH]2)C1 ZINC001369793390 887591182 /nfs/dbraw/zinc/59/11/82/887591182.db2.gz CNAZLBLCDCIUTA-VIFPVBQESA-N 1 2 280.332 -1.197 20 0 CAADLO CCNC(=O)NC(=O)CN1CC[NH+](CCNC(C)=O)CC1 ZINC001369865446 887591433 /nfs/dbraw/zinc/59/14/33/887591433.db2.gz AVLDVETYAQGPDX-UHFFFAOYSA-N 1 2 299.375 -1.414 20 0 CAADLO CCNC(=O)CCC(=O)N[C@@H]1CCC[N@H+](CC(N)=O)C1 ZINC001369803432 887592030 /nfs/dbraw/zinc/59/20/30/887592030.db2.gz QCIBTFKKPQWAJI-SNVBAGLBSA-N 1 2 284.360 -1.031 20 0 CAADLO CCNC(=O)CCC(=O)N[C@@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001369803432 887592040 /nfs/dbraw/zinc/59/20/40/887592040.db2.gz QCIBTFKKPQWAJI-SNVBAGLBSA-N 1 2 284.360 -1.031 20 0 CAADLO CN1CC(C(=O)NCCN2CC[NH+](CCO)CC2)=NC1=O ZINC001369911498 887593991 /nfs/dbraw/zinc/59/39/91/887593991.db2.gz HBMCYQGUALEMQD-UHFFFAOYSA-N 1 2 297.359 -1.535 20 0 CAADLO CNC(=O)NC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCOC2)C1 ZINC001369970394 887594081 /nfs/dbraw/zinc/59/40/81/887594081.db2.gz ZQDKSVJQXXYSIN-UWVGGRQHSA-N 1 2 298.343 -1.331 20 0 CAADLO CNC(=O)NC(=O)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCOC2)C1 ZINC001369970394 887594089 /nfs/dbraw/zinc/59/40/89/887594089.db2.gz ZQDKSVJQXXYSIN-UWVGGRQHSA-N 1 2 298.343 -1.331 20 0 CAADLO O=C(NCC[NH+]1CCN(CCF)CC1)[C@H]1COC(=O)N1 ZINC001369894365 887594222 /nfs/dbraw/zinc/59/42/22/887594222.db2.gz AWXGGPVWSDOUJJ-SNVBAGLBSA-N 1 2 288.323 -1.202 20 0 CAADLO CNC(=O)NC(=O)C[N@@H+]1CC[C@H](NC(=O)COC)C1 ZINC001369941167 887594780 /nfs/dbraw/zinc/59/47/80/887594780.db2.gz WFGOCVFNXALBOZ-QMMMGPOBSA-N 1 2 272.305 -1.721 20 0 CAADLO CNC(=O)NC(=O)C[N@H+]1CC[C@H](NC(=O)COC)C1 ZINC001369941167 887594789 /nfs/dbraw/zinc/59/47/89/887594789.db2.gz WFGOCVFNXALBOZ-QMMMGPOBSA-N 1 2 272.305 -1.721 20 0 CAADLO CCCC(=O)N[C@H]1CC[N@H+](CC(=O)N2CCNC(=O)C2)C1 ZINC001369933010 887596199 /nfs/dbraw/zinc/59/61/99/887596199.db2.gz DOWVANREGRXPJW-NSHDSACASA-N 1 2 296.371 -1.065 20 0 CAADLO CCCC(=O)N[C@H]1CC[N@@H+](CC(=O)N2CCNC(=O)C2)C1 ZINC001369933010 887596205 /nfs/dbraw/zinc/59/62/05/887596205.db2.gz DOWVANREGRXPJW-NSHDSACASA-N 1 2 296.371 -1.065 20 0 CAADLO CC(=O)NC(C)(C)C(=O)N[C@H]1CC[N@@H+]([C@H](C)C(N)=O)C1 ZINC001370029097 887598375 /nfs/dbraw/zinc/59/83/75/887598375.db2.gz HLFSAUVEVFNFHR-SCZZXKLOSA-N 1 2 284.360 -1.035 20 0 CAADLO CC(=O)NC(C)(C)C(=O)N[C@H]1CC[N@H+]([C@H](C)C(N)=O)C1 ZINC001370029097 887598380 /nfs/dbraw/zinc/59/83/80/887598380.db2.gz HLFSAUVEVFNFHR-SCZZXKLOSA-N 1 2 284.360 -1.035 20 0 CAADLO NC(=O)NC(=O)C[N@@H+]1CC[C@H](NC(=O)Cc2cc[nH]n2)C1 ZINC001369972876 887598655 /nfs/dbraw/zinc/59/86/55/887598655.db2.gz WNDNSPXJNFMZAU-VIFPVBQESA-N 1 2 294.315 -1.662 20 0 CAADLO NC(=O)NC(=O)C[N@H+]1CC[C@H](NC(=O)Cc2cc[nH]n2)C1 ZINC001369972876 887598668 /nfs/dbraw/zinc/59/86/68/887598668.db2.gz WNDNSPXJNFMZAU-VIFPVBQESA-N 1 2 294.315 -1.662 20 0 CAADLO CC(=O)NC(C)(C)C(=O)N[C@@H]1CC[N@@H+]([C@H](C)C(N)=O)C1 ZINC001370029090 887599462 /nfs/dbraw/zinc/59/94/62/887599462.db2.gz HLFSAUVEVFNFHR-PSASIEDQSA-N 1 2 284.360 -1.035 20 0 CAADLO CC(=O)NC(C)(C)C(=O)N[C@@H]1CC[N@H+]([C@H](C)C(N)=O)C1 ZINC001370029090 887599475 /nfs/dbraw/zinc/59/94/75/887599475.db2.gz HLFSAUVEVFNFHR-PSASIEDQSA-N 1 2 284.360 -1.035 20 0 CAADLO NC(=O)NC(=O)C[N@@H+]1CC[C@@H](NC(=O)C[C@H]2CCOC2)C1 ZINC001370018850 887599674 /nfs/dbraw/zinc/59/96/74/887599674.db2.gz QXQQGWFRXZSVQC-NXEZZACHSA-N 1 2 298.343 -1.202 20 0 CAADLO NC(=O)NC(=O)C[N@H+]1CC[C@@H](NC(=O)C[C@H]2CCOC2)C1 ZINC001370018850 887599687 /nfs/dbraw/zinc/59/96/87/887599687.db2.gz QXQQGWFRXZSVQC-NXEZZACHSA-N 1 2 298.343 -1.202 20 0 CAADLO CN(C)C(=O)C[NH2+][C@H]1CCN(C(=O)Cc2ncn[nH]2)C1 ZINC001370404316 887606084 /nfs/dbraw/zinc/60/60/84/887606084.db2.gz LNXUMXITLRDARK-VIFPVBQESA-N 1 2 280.332 -1.374 20 0 CAADLO COC(=O)NCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2nnn(C)n2)C1 ZINC001370613082 887611715 /nfs/dbraw/zinc/61/17/15/887611715.db2.gz CSXWBFUXFQPSJO-OCAPTIKFSA-N 1 2 297.319 -1.697 20 0 CAADLO C[C@H](CC(N)=O)C(=O)N[C@H]1C[C@H]([NH2+]Cc2nnn(C)n2)C1 ZINC001370502497 887611991 /nfs/dbraw/zinc/61/19/91/887611991.db2.gz VCJIWTREAQJMGC-IWSPIJDZSA-N 1 2 295.347 -1.542 20 0 CAADLO COCC(=O)NC[C@H](CO)NC(=O)Cc1[nH]cc[nH+]1 ZINC001370644554 887617386 /nfs/dbraw/zinc/61/73/86/887617386.db2.gz VDQBWVTZZXLWBW-MRVPVSSYSA-N 1 2 270.289 -1.808 20 0 CAADLO O=C(Cn1cc[nH+]c1)N[C@H](CO)CNC(=O)[C@@H]1CCCO1 ZINC001370649008 887620819 /nfs/dbraw/zinc/62/08/19/887620819.db2.gz QZOCCCQBNMYYTN-QWRGUYRKSA-N 1 2 296.327 -1.345 20 0 CAADLO CC[C@H](OC)C(=O)NC[C@@H](CO)NC(=O)Cc1[nH]cc[nH+]1 ZINC001370664478 887622985 /nfs/dbraw/zinc/62/29/85/887622985.db2.gz UOOIHOBPRISXIG-UWVGGRQHSA-N 1 2 298.343 -1.030 20 0 CAADLO CCO[C@@H](C)C(=O)NC[C@@H](CO)NC(=O)Cc1c[nH]c[nH+]1 ZINC001370671070 887623602 /nfs/dbraw/zinc/62/36/02/887623602.db2.gz XGXQCNCVSXCBQV-ONGXEEELSA-N 1 2 298.343 -1.030 20 0 CAADLO CCO[C@@H](C)C(=O)NC[C@H](CO)NC(=O)Cc1c[nH]c[nH+]1 ZINC001370671053 887623664 /nfs/dbraw/zinc/62/36/64/887623664.db2.gz XGXQCNCVSXCBQV-GXSJLCMTSA-N 1 2 298.343 -1.030 20 0 CAADLO O=C(Cc1[nH]cc[nH+]1)N[C@@H](CO)CNC(=O)[C@H]1CCOC1 ZINC001370663471 887623892 /nfs/dbraw/zinc/62/38/92/887623892.db2.gz RKBWIZYPTVLBMQ-VHSXEESVSA-N 1 2 296.327 -1.418 20 0 CAADLO O=C(Cc1[nH]cc[nH+]1)N[C@H](CO)CNC(=O)[C@H]1CCOC1 ZINC001370663468 887624459 /nfs/dbraw/zinc/62/44/59/887624459.db2.gz RKBWIZYPTVLBMQ-UWVGGRQHSA-N 1 2 296.327 -1.418 20 0 CAADLO CCO[C@H](C)C(=O)NC[C@H](CO)NC(=O)Cc1c[nH]c[nH+]1 ZINC001370671066 887624779 /nfs/dbraw/zinc/62/47/79/887624779.db2.gz XGXQCNCVSXCBQV-MWLCHTKSSA-N 1 2 298.343 -1.030 20 0 CAADLO O=C(Cc1[nH]cc[nH+]1)N[C@H](CO)CNC(=O)[C@@H]1CCOC1 ZINC001370663475 887625156 /nfs/dbraw/zinc/62/51/56/887625156.db2.gz RKBWIZYPTVLBMQ-ZJUUUORDSA-N 1 2 296.327 -1.418 20 0 CAADLO CCO[C@H](C)C(=O)NC[C@@H](CO)NC(=O)Cc1c[nH]c[nH+]1 ZINC001370671060 887625203 /nfs/dbraw/zinc/62/52/03/887625203.db2.gz XGXQCNCVSXCBQV-KOLCDFICSA-N 1 2 298.343 -1.030 20 0 CAADLO CC(C)(O)CC(=O)NC[C@@H](CO)NC(=O)Cc1c[nH]c[nH+]1 ZINC001370676043 887626682 /nfs/dbraw/zinc/62/66/82/887626682.db2.gz JVCNOGMRBURAHS-JTQLQIEISA-N 1 2 298.343 -1.294 20 0 CAADLO CC(C)(O)CC(=O)NC[C@H](CO)NC(=O)Cc1c[nH]c[nH+]1 ZINC001370676064 887627185 /nfs/dbraw/zinc/62/71/85/887627185.db2.gz JVCNOGMRBURAHS-SNVBAGLBSA-N 1 2 298.343 -1.294 20 0 CAADLO Cn1c[nH+]cc1CC(=O)NC[C@@H](CO)NC(=O)C(F)F ZINC001370752598 887632078 /nfs/dbraw/zinc/63/20/78/887632078.db2.gz YGIODICTWZILGB-ZETCQYMHSA-N 1 2 290.270 -1.179 20 0 CAADLO Cn1c[nH+]c(CCNC(=O)NC[C@H](O)Cn2ccnn2)c1 ZINC001370729313 887633347 /nfs/dbraw/zinc/63/33/47/887633347.db2.gz ZRNGPMLUUBZLDO-NSHDSACASA-N 1 2 293.331 -1.086 20 0 CAADLO Cn1c[nH+]c(CCNC(=O)NC[C@@H](O)Cn2ccnn2)c1 ZINC001370729311 887633829 /nfs/dbraw/zinc/63/38/29/887633829.db2.gz ZRNGPMLUUBZLDO-LLVKDONJSA-N 1 2 293.331 -1.086 20 0 CAADLO O=C(Cc1[nH]cc[nH+]1)NC[C@@H](CO)NC(=O)c1ncc[nH]1 ZINC001370779134 887635367 /nfs/dbraw/zinc/63/53/67/887635367.db2.gz ZJBJETXAPHFYNA-QMMMGPOBSA-N 1 2 292.299 -1.418 20 0 CAADLO CCO[C@@H](C)C(=O)N[C@@H](CO)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001370770680 887635803 /nfs/dbraw/zinc/63/58/03/887635803.db2.gz HDGRRFALZBQXSX-VHSXEESVSA-N 1 2 298.343 -1.030 20 0 CAADLO CCO[C@H](C)C(=O)N[C@H](CO)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001370770682 887636043 /nfs/dbraw/zinc/63/60/43/887636043.db2.gz HDGRRFALZBQXSX-ZJUUUORDSA-N 1 2 298.343 -1.030 20 0 CAADLO COCCC(=O)N[C@@H](CO)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001370769891 887636823 /nfs/dbraw/zinc/63/68/23/887636823.db2.gz DLGZOLOLWSQAIW-SECBINFHSA-N 1 2 284.316 -1.418 20 0 CAADLO CC[C@@H](OC)C(=O)N[C@H](CO)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001370795799 887636954 /nfs/dbraw/zinc/63/69/54/887636954.db2.gz CDAUOJBUHKLAGI-WDEREUQCSA-N 1 2 298.343 -1.030 20 0 CAADLO COCCC(=O)NC[C@H](O)CN(C)C(=O)Cn1cc[nH+]c1 ZINC001371001811 887644996 /nfs/dbraw/zinc/64/49/96/887644996.db2.gz MIWHUPUPNOBWPD-NSHDSACASA-N 1 2 298.343 -1.145 20 0 CAADLO COCC(=O)NC[C@@H](O)CN(C)C(=O)Cc1[nH]c[nH+]c1C ZINC001371016530 887645472 /nfs/dbraw/zinc/64/54/72/887645472.db2.gz CCYBRXQOGJNMPX-SNVBAGLBSA-N 1 2 298.343 -1.157 20 0 CAADLO C[C@H](CNC(=O)Cn1cnnn1)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001371101456 887648489 /nfs/dbraw/zinc/64/84/89/887648489.db2.gz HGZAQFJSGOWXSV-SSDOTTSWSA-N 1 2 295.307 -2.611 20 0 CAADLO C[C@H](CNC(=O)CS(C)(=O)=O)[NH2+]Cc1cnon1 ZINC001371130602 887649664 /nfs/dbraw/zinc/64/96/64/887649664.db2.gz VBYVLRYHQIZSEE-SSDOTTSWSA-N 1 2 276.318 -1.292 20 0 CAADLO C[C@H](CNC(=O)[C@]12C[C@H]1COC2)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001371183841 887651472 /nfs/dbraw/zinc/65/14/72/887651472.db2.gz FAGKWHLNIZFYDW-ZDMBXUJBSA-N 1 2 295.343 -1.261 20 0 CAADLO CNC(=O)NCCC(=O)NC[C@@H](C)[NH2+]Cc1cnon1 ZINC001371168221 887652941 /nfs/dbraw/zinc/65/29/41/887652941.db2.gz CQFIUJVZLFQRLZ-MRVPVSSYSA-N 1 2 284.320 -1.017 20 0 CAADLO C[C@@H](CNC(=O)[C@@H]1CC(=O)NC(=O)N1)[NH2+]Cc1cnon1 ZINC001371366440 887656252 /nfs/dbraw/zinc/65/62/52/887656252.db2.gz UONMMLGRQKBFEM-XPUUQOCRSA-N 1 2 296.287 -1.738 20 0 CAADLO Cc1nnc(C[NH2+][C@H](C)CNC(=O)[C@H]2CNC(=O)N2)o1 ZINC001371341347 887656272 /nfs/dbraw/zinc/65/62/72/887656272.db2.gz FRNGLTALUQLZRE-HTRCEHHLSA-N 1 2 282.304 -1.346 20 0 CAADLO Cc1nnc(C[NH2+][C@@H](C)CNC(=O)[C@H]2CNC(=O)N2)o1 ZINC001371341348 887656517 /nfs/dbraw/zinc/65/65/17/887656517.db2.gz FRNGLTALUQLZRE-POYBYMJQSA-N 1 2 282.304 -1.346 20 0 CAADLO C[C@@H](CNC(=O)[C@H]1CNC(=O)N1)[NH2+]Cc1nncs1 ZINC001371342756 887656597 /nfs/dbraw/zinc/65/65/97/887656597.db2.gz HIESPZIXRLJIHO-NKWVEPMBSA-N 1 2 284.345 -1.186 20 0 CAADLO COCC(=O)N[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1O ZINC001371446517 887658203 /nfs/dbraw/zinc/65/82/03/887658203.db2.gz QUNQGCDTCUNTTN-NXEZZACHSA-N 1 2 296.327 -1.323 20 0 CAADLO C[C@@H]([NH2+]C[C@H]1CCN(C(=O)Cc2ncn[nH]2)C1)C(N)=O ZINC001371636063 887671272 /nfs/dbraw/zinc/67/12/72/887671272.db2.gz QDEWNVPOISWVHS-RKDXNWHRSA-N 1 2 280.332 -1.341 20 0 CAADLO CC(=O)NCC[N@H+](C)CC(=O)N1CCC[C@H](C(N)=O)C1 ZINC001371894987 887674806 /nfs/dbraw/zinc/67/48/06/887674806.db2.gz LGPWWOBCVNNFMO-NSHDSACASA-N 1 2 284.360 -1.222 20 0 CAADLO CC(=O)NCC[N@@H+](C)CC(=O)N1CCC[C@H](C(N)=O)C1 ZINC001371894987 887674803 /nfs/dbraw/zinc/67/48/03/887674803.db2.gz LGPWWOBCVNNFMO-NSHDSACASA-N 1 2 284.360 -1.222 20 0 CAADLO C[N@H+](CCNC(=O)[C@H]1COC(=O)N1)CC(=O)N1CCCC1 ZINC001371965624 887676665 /nfs/dbraw/zinc/67/66/65/887676665.db2.gz SQGQOZMGNTVSKR-SNVBAGLBSA-N 1 2 298.343 -1.235 20 0 CAADLO C[N@@H+](CCNC(=O)[C@H]1COC(=O)N1)CC(=O)N1CCCC1 ZINC001371965624 887676684 /nfs/dbraw/zinc/67/66/84/887676684.db2.gz SQGQOZMGNTVSKR-SNVBAGLBSA-N 1 2 298.343 -1.235 20 0 CAADLO CNC(=O)C[N@H+](C)CCNC(=O)[C@@H]1CCNC(=O)C1 ZINC001371947187 887677455 /nfs/dbraw/zinc/67/74/55/887677455.db2.gz WDKSGFJJQDPLAZ-SECBINFHSA-N 1 2 270.333 -1.693 20 0 CAADLO C[C@H](NC(N)=O)C(=O)NCC[N@H+](C)CC(=O)N(C)C1CC1 ZINC001371951380 887677717 /nfs/dbraw/zinc/67/77/17/887677717.db2.gz JOTAJGOZKMTJNO-VIFPVBQESA-N 1 2 299.375 -1.288 20 0 CAADLO C[C@H](NC(N)=O)C(=O)NCC[N@@H+](C)CC(=O)N(C)C1CC1 ZINC001371951380 887677720 /nfs/dbraw/zinc/67/77/20/887677720.db2.gz JOTAJGOZKMTJNO-VIFPVBQESA-N 1 2 299.375 -1.288 20 0 CAADLO C[N@H+](CCNC(=O)[C@@H]1COC(=O)N1)CC(=O)N1CCCC1 ZINC001371965618 887678019 /nfs/dbraw/zinc/67/80/19/887678019.db2.gz SQGQOZMGNTVSKR-JTQLQIEISA-N 1 2 298.343 -1.235 20 0 CAADLO C[N@@H+](CCNC(=O)[C@@H]1COC(=O)N1)CC(=O)N1CCCC1 ZINC001371965618 887678028 /nfs/dbraw/zinc/67/80/28/887678028.db2.gz SQGQOZMGNTVSKR-JTQLQIEISA-N 1 2 298.343 -1.235 20 0 CAADLO CC[C@H](C)NC(=O)C[N@H+](C)CCNC(=O)Cn1ncnn1 ZINC001371973012 887679108 /nfs/dbraw/zinc/67/91/08/887679108.db2.gz RYIPOFKCPPZSCL-JTQLQIEISA-N 1 2 297.363 -1.364 20 0 CAADLO CC[C@H](C)NC(=O)C[N@@H+](C)CCNC(=O)Cn1ncnn1 ZINC001371973012 887679118 /nfs/dbraw/zinc/67/91/18/887679118.db2.gz RYIPOFKCPPZSCL-JTQLQIEISA-N 1 2 297.363 -1.364 20 0 CAADLO CNC(=O)C[N@H+](C)CCNC(=O)c1cnc2n1CCOC2 ZINC001371999588 887680911 /nfs/dbraw/zinc/68/09/11/887680911.db2.gz KZOQLIVFTYLVSJ-UHFFFAOYSA-N 1 2 295.343 -1.179 20 0 CAADLO CNC(=O)C[N@@H+](C)CCNC(=O)c1cnc2n1CCOC2 ZINC001371999588 887680919 /nfs/dbraw/zinc/68/09/19/887680919.db2.gz KZOQLIVFTYLVSJ-UHFFFAOYSA-N 1 2 295.343 -1.179 20 0 CAADLO CCNC(=O)C[N@H+](C)CCNC(=O)[C@@H]1CC[C@H]1C(N)=O ZINC001372057492 887681596 /nfs/dbraw/zinc/68/15/96/887681596.db2.gz DOFVAJGVJRUQTG-NXEZZACHSA-N 1 2 284.360 -1.318 20 0 CAADLO CCNC(=O)C[N@@H+](C)CCNC(=O)[C@@H]1CC[C@H]1C(N)=O ZINC001372057492 887681602 /nfs/dbraw/zinc/68/16/02/887681602.db2.gz DOFVAJGVJRUQTG-NXEZZACHSA-N 1 2 284.360 -1.318 20 0 CAADLO CNC(=O)NCC(=O)NCC[N@H+](C)CC(=O)N(C)C1CC1 ZINC001371993938 887682797 /nfs/dbraw/zinc/68/27/97/887682797.db2.gz FNBBGZPUTQBASO-UHFFFAOYSA-N 1 2 299.375 -1.416 20 0 CAADLO CNC(=O)NCC(=O)NCC[N@@H+](C)CC(=O)N(C)C1CC1 ZINC001371993938 887682806 /nfs/dbraw/zinc/68/28/06/887682806.db2.gz FNBBGZPUTQBASO-UHFFFAOYSA-N 1 2 299.375 -1.416 20 0 CAADLO CN1C[C@H](C(=O)NCC[N@H+](C)CC(=O)N2CCC2)CC1=O ZINC001371997911 887683562 /nfs/dbraw/zinc/68/35/62/887683562.db2.gz UAKGHXAACKONSM-LLVKDONJSA-N 1 2 296.371 -1.255 20 0 CAADLO CN1C[C@H](C(=O)NCC[N@@H+](C)CC(=O)N2CCC2)CC1=O ZINC001371997911 887683569 /nfs/dbraw/zinc/68/35/69/887683569.db2.gz UAKGHXAACKONSM-LLVKDONJSA-N 1 2 296.371 -1.255 20 0 CAADLO CNC(=O)C[N@H+](C)CCNC(=O)C[C@H]1CCCC(=O)N1 ZINC001372031903 887683586 /nfs/dbraw/zinc/68/35/86/887683586.db2.gz YOVVHZNQQDVUJE-SNVBAGLBSA-N 1 2 284.360 -1.161 20 0 CAADLO CNC(=O)C[N@@H+](C)CCNC(=O)C[C@H]1CCCC(=O)N1 ZINC001372031903 887683594 /nfs/dbraw/zinc/68/35/94/887683594.db2.gz YOVVHZNQQDVUJE-SNVBAGLBSA-N 1 2 284.360 -1.161 20 0 CAADLO CCC(=O)N1CC[C@H](C(=O)NCC[N@H+](C)CC(N)=O)C1 ZINC001372187308 887686029 /nfs/dbraw/zinc/68/60/29/887686029.db2.gz ZLWKMVRMVPSTOZ-JTQLQIEISA-N 1 2 284.360 -1.222 20 0 CAADLO CCC(=O)N1CC[C@H](C(=O)NCC[N@@H+](C)CC(N)=O)C1 ZINC001372187308 887686031 /nfs/dbraw/zinc/68/60/31/887686031.db2.gz ZLWKMVRMVPSTOZ-JTQLQIEISA-N 1 2 284.360 -1.222 20 0 CAADLO C[N@H+](CCNC(=O)c1c[nH]c(=O)cn1)CC(=O)NC1CC1 ZINC001372094098 887686247 /nfs/dbraw/zinc/68/62/47/887686247.db2.gz VHJJWIGIOIZKKA-UHFFFAOYSA-N 1 2 293.327 -1.290 20 0 CAADLO C[N@@H+](CCNC(=O)c1c[nH]c(=O)cn1)CC(=O)NC1CC1 ZINC001372094098 887686256 /nfs/dbraw/zinc/68/62/56/887686256.db2.gz VHJJWIGIOIZKKA-UHFFFAOYSA-N 1 2 293.327 -1.290 20 0 CAADLO CCN(C)C(=O)C[N@H+](C)CCNC(=O)CCn1cnnn1 ZINC001372163481 887686268 /nfs/dbraw/zinc/68/62/68/887686268.db2.gz DDRHLGGXUZERJM-UHFFFAOYSA-N 1 2 297.363 -1.411 20 0 CAADLO CCN(C)C(=O)C[N@@H+](C)CCNC(=O)CCn1cnnn1 ZINC001372163481 887686274 /nfs/dbraw/zinc/68/62/74/887686274.db2.gz DDRHLGGXUZERJM-UHFFFAOYSA-N 1 2 297.363 -1.411 20 0 CAADLO CNC(=O)NC(=O)C[N@H+](C)CCNC(=O)Cc1nc[nH]n1 ZINC001372185835 887686923 /nfs/dbraw/zinc/68/69/23/887686923.db2.gz NVLAHEBHXKNEKZ-UHFFFAOYSA-N 1 2 297.319 -2.149 20 0 CAADLO CNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)Cc1nc[nH]n1 ZINC001372185835 887686938 /nfs/dbraw/zinc/68/69/38/887686938.db2.gz NVLAHEBHXKNEKZ-UHFFFAOYSA-N 1 2 297.319 -2.149 20 0 CAADLO CCNC(=O)C[N@H+](C)CCNC(=O)[C@H]1CCC(=O)N1C ZINC001372085147 887687296 /nfs/dbraw/zinc/68/72/96/887687296.db2.gz AFIMIWYXTZVCKK-SNVBAGLBSA-N 1 2 284.360 -1.209 20 0 CAADLO CCNC(=O)C[N@@H+](C)CCNC(=O)[C@H]1CCC(=O)N1C ZINC001372085147 887687304 /nfs/dbraw/zinc/68/73/04/887687304.db2.gz AFIMIWYXTZVCKK-SNVBAGLBSA-N 1 2 284.360 -1.209 20 0 CAADLO CCN(C)C(=O)C[N@H+](C)CCNC(=O)[C@H]1CNC(=O)N1 ZINC001372090247 887687324 /nfs/dbraw/zinc/68/73/24/887687324.db2.gz DXHKBEMBSINVBP-SECBINFHSA-N 1 2 285.348 -1.806 20 0 CAADLO CCN(C)C(=O)C[N@@H+](C)CCNC(=O)[C@H]1CNC(=O)N1 ZINC001372090247 887687333 /nfs/dbraw/zinc/68/73/33/887687333.db2.gz DXHKBEMBSINVBP-SECBINFHSA-N 1 2 285.348 -1.806 20 0 CAADLO C[N@H+](CCNC(=O)Cn1nnc2c1CCCC2)CC(N)=O ZINC001372107262 887687556 /nfs/dbraw/zinc/68/75/56/887687556.db2.gz ICUTVKHKOSYBAP-UHFFFAOYSA-N 1 2 294.359 -1.310 20 0 CAADLO C[N@@H+](CCNC(=O)Cn1nnc2c1CCCC2)CC(N)=O ZINC001372107262 887687563 /nfs/dbraw/zinc/68/75/63/887687563.db2.gz ICUTVKHKOSYBAP-UHFFFAOYSA-N 1 2 294.359 -1.310 20 0 CAADLO C[N@H+](CCNC(=O)[C@H]1CCS(=O)(=O)N1)CC(N)=O ZINC001372221880 887690107 /nfs/dbraw/zinc/69/01/07/887690107.db2.gz IPFJPDHZUCBRMT-SSDOTTSWSA-N 1 2 278.334 -2.789 20 0 CAADLO C[N@@H+](CCNC(=O)[C@H]1CCS(=O)(=O)N1)CC(N)=O ZINC001372221880 887690112 /nfs/dbraw/zinc/69/01/12/887690112.db2.gz IPFJPDHZUCBRMT-SSDOTTSWSA-N 1 2 278.334 -2.789 20 0 CAADLO CCNC(=O)C[N@H+](C)CCNC(=O)c1cn(C)c(=O)n1C ZINC001372230010 887690363 /nfs/dbraw/zinc/69/03/63/887690363.db2.gz HMFAJDCLGSZPDF-UHFFFAOYSA-N 1 2 297.359 -1.479 20 0 CAADLO CCNC(=O)C[N@@H+](C)CCNC(=O)c1cn(C)c(=O)n1C ZINC001372230010 887690369 /nfs/dbraw/zinc/69/03/69/887690369.db2.gz HMFAJDCLGSZPDF-UHFFFAOYSA-N 1 2 297.359 -1.479 20 0 CAADLO Cc1ccnc2nc(C(=O)NCC[N@@H+](C)CC(N)=O)nn21 ZINC001372207778 887690769 /nfs/dbraw/zinc/69/07/69/887690769.db2.gz PVXBBSQBGNBMEL-UHFFFAOYSA-N 1 2 291.315 -1.420 20 0 CAADLO Cc1ccnc2nc(C(=O)NCC[N@H+](C)CC(N)=O)nn21 ZINC001372207778 887690792 /nfs/dbraw/zinc/69/07/92/887690792.db2.gz PVXBBSQBGNBMEL-UHFFFAOYSA-N 1 2 291.315 -1.420 20 0 CAADLO NC(=O)NC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)c1ncc[nH]1 ZINC001372507188 887696051 /nfs/dbraw/zinc/69/60/51/887696051.db2.gz PNHSVRQUMZJYQD-QMMMGPOBSA-N 1 2 294.315 -1.201 20 0 CAADLO NC(=O)NC(=O)C[N@H+]1CCC[C@H]1CNC(=O)c1ncc[nH]1 ZINC001372507188 887696059 /nfs/dbraw/zinc/69/60/59/887696059.db2.gz PNHSVRQUMZJYQD-QMMMGPOBSA-N 1 2 294.315 -1.201 20 0 CAADLO CNC(=O)NC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)COC ZINC001372479505 887696269 /nfs/dbraw/zinc/69/62/69/887696269.db2.gz DZKJRJLVQIXSMV-VIFPVBQESA-N 1 2 286.332 -1.331 20 0 CAADLO CNC(=O)NC(=O)C[N@H+]1CCC[C@H]1CNC(=O)COC ZINC001372479505 887696274 /nfs/dbraw/zinc/69/62/74/887696274.db2.gz DZKJRJLVQIXSMV-VIFPVBQESA-N 1 2 286.332 -1.331 20 0 CAADLO NC(=O)NC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ncc[nH]1 ZINC001372507186 887697533 /nfs/dbraw/zinc/69/75/33/887697533.db2.gz PNHSVRQUMZJYQD-MRVPVSSYSA-N 1 2 294.315 -1.201 20 0 CAADLO NC(=O)NC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)c1ncc[nH]1 ZINC001372507186 887697546 /nfs/dbraw/zinc/69/75/46/887697546.db2.gz PNHSVRQUMZJYQD-MRVPVSSYSA-N 1 2 294.315 -1.201 20 0 CAADLO CNS(=O)(=O)CC(=O)NC[C@@H]1CCC[N@@H+]1CC(N)=O ZINC001372563407 887700329 /nfs/dbraw/zinc/70/03/29/887700329.db2.gz FQUGBRSTRJPIPW-QMMMGPOBSA-N 1 2 292.361 -2.399 20 0 CAADLO CNS(=O)(=O)CC(=O)NC[C@@H]1CCC[N@H+]1CC(N)=O ZINC001372563407 887700344 /nfs/dbraw/zinc/70/03/44/887700344.db2.gz FQUGBRSTRJPIPW-QMMMGPOBSA-N 1 2 292.361 -2.399 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)CCc1cn[nH]n1 ZINC001372556728 887702096 /nfs/dbraw/zinc/70/20/96/887702096.db2.gz UMDMKVFAHZWMMZ-JTQLQIEISA-N 1 2 280.332 -1.197 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@H]1CNC(=O)CCc1cn[nH]n1 ZINC001372556728 887702101 /nfs/dbraw/zinc/70/21/01/887702101.db2.gz UMDMKVFAHZWMMZ-JTQLQIEISA-N 1 2 280.332 -1.197 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)CCc1c[nH]nn1 ZINC001372556728 887702110 /nfs/dbraw/zinc/70/21/10/887702110.db2.gz UMDMKVFAHZWMMZ-JTQLQIEISA-N 1 2 280.332 -1.197 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@H]1CNC(=O)CCc1c[nH]nn1 ZINC001372556728 887702117 /nfs/dbraw/zinc/70/21/17/887702117.db2.gz UMDMKVFAHZWMMZ-JTQLQIEISA-N 1 2 280.332 -1.197 20 0 CAADLO C[C@H](CNC(=O)Cn1cc[nH+]c1)NC(=O)Cn1cnnn1 ZINC001372957852 887718399 /nfs/dbraw/zinc/71/83/99/887718399.db2.gz PMKYHCQCRQRRGL-SECBINFHSA-N 1 2 292.303 -1.809 20 0 CAADLO C[C@@H](CNC(=O)c1cn[nH]n1)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001372959218 887719585 /nfs/dbraw/zinc/71/95/85/887719585.db2.gz NHRGSEVQTKTCTD-WPRPVWTQSA-N 1 2 296.331 -1.630 20 0 CAADLO C[C@@H](CNC(=O)c1cn[nH]n1)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001372959218 887719599 /nfs/dbraw/zinc/71/95/99/887719599.db2.gz NHRGSEVQTKTCTD-WPRPVWTQSA-N 1 2 296.331 -1.630 20 0 CAADLO C[C@@H](CNC(=O)c1cn[nH]n1)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001372959217 887721477 /nfs/dbraw/zinc/72/14/77/887721477.db2.gz NHRGSEVQTKTCTD-WCBMZHEXSA-N 1 2 296.331 -1.630 20 0 CAADLO C[C@@H](CNC(=O)c1cn[nH]n1)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001372959217 887721489 /nfs/dbraw/zinc/72/14/89/887721489.db2.gz NHRGSEVQTKTCTD-WCBMZHEXSA-N 1 2 296.331 -1.630 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@@H](NC(=O)CNC(=O)C2CC2)C1 ZINC001373364871 887732221 /nfs/dbraw/zinc/73/22/21/887732221.db2.gz JDXRXYSGQIDQOS-SNVBAGLBSA-N 1 2 282.344 -1.422 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@@H](NC(=O)CNC(=O)C2CC2)C1 ZINC001373364871 887732234 /nfs/dbraw/zinc/73/22/34/887732234.db2.gz JDXRXYSGQIDQOS-SNVBAGLBSA-N 1 2 282.344 -1.422 20 0 CAADLO CO[C@H](C)C(=O)N[C@@H]1CCC[N@H+](CC(=O)NC(N)=O)C1 ZINC001373364503 887733719 /nfs/dbraw/zinc/73/37/19/887733719.db2.gz HWNANKCODWQLJZ-RKDXNWHRSA-N 1 2 286.332 -1.203 20 0 CAADLO CO[C@H](C)C(=O)N[C@@H]1CCC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001373364503 887733725 /nfs/dbraw/zinc/73/37/25/887733725.db2.gz HWNANKCODWQLJZ-RKDXNWHRSA-N 1 2 286.332 -1.203 20 0 CAADLO CN(CCNC(=O)[C@H]1CCC(=O)N1)C(=O)Cc1[nH]cc[nH+]1 ZINC001373375636 887735970 /nfs/dbraw/zinc/73/59/70/887735970.db2.gz QWNHJJRIBMRQAZ-SECBINFHSA-N 1 2 293.327 -1.195 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(NC(=O)CCn2cncn2)C1 ZINC001373414198 887736284 /nfs/dbraw/zinc/73/62/84/887736284.db2.gz ZSXBTULVYVOJCV-NSHDSACASA-N 1 2 283.332 -1.524 20 0 CAADLO CC(=O)NC(C)(C)C(=O)N[C@H]1CCC[N@H+](CC(N)=O)C1 ZINC001373401078 887736644 /nfs/dbraw/zinc/73/66/44/887736644.db2.gz MNORLTHSZCULPA-JTQLQIEISA-N 1 2 284.360 -1.033 20 0 CAADLO CC(=O)NC(C)(C)C(=O)N[C@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001373401078 887736653 /nfs/dbraw/zinc/73/66/53/887736653.db2.gz MNORLTHSZCULPA-JTQLQIEISA-N 1 2 284.360 -1.033 20 0 CAADLO CCS(=O)(=O)CC(=O)N[C@H]1CC[N@@H+](CCCO)C1 ZINC001373612671 887758565 /nfs/dbraw/zinc/75/85/65/887758565.db2.gz GXXFLPZSCUZQHL-JTQLQIEISA-N 1 2 278.374 -1.006 20 0 CAADLO CCN1C[C@H](C(=O)NC2C[NH+](C[C@H](O)COC)C2)CC1=O ZINC001373433348 887738559 /nfs/dbraw/zinc/73/85/59/887738559.db2.gz UYOSKHHUJNAKBM-PWSUYJOCSA-N 1 2 299.371 -1.338 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(NC(=O)c2cc(=O)n(C)cn2)C1 ZINC001373436000 887738654 /nfs/dbraw/zinc/73/86/54/887738654.db2.gz FOOIZPSSFCGCGQ-JTQLQIEISA-N 1 2 296.327 -1.798 20 0 CAADLO CCN1C[C@@H](C(=O)NC2C[NH+](C[C@H](O)COC)C2)CC1=O ZINC001373433347 887738682 /nfs/dbraw/zinc/73/86/82/887738682.db2.gz UYOSKHHUJNAKBM-JQWIXIFHSA-N 1 2 299.371 -1.338 20 0 CAADLO COC[C@H](O)C[NH+]1CC(NC(=O)c2cc(=O)n(C)cn2)C1 ZINC001373436003 887738742 /nfs/dbraw/zinc/73/87/42/887738742.db2.gz FOOIZPSSFCGCGQ-SNVBAGLBSA-N 1 2 296.327 -1.798 20 0 CAADLO Cn1nnc(CN2CC(NC(=O)CCn3cc[nH+]c3)C2)n1 ZINC001373442729 887738760 /nfs/dbraw/zinc/73/87/60/887738760.db2.gz AMBOQIQIORHXFA-UHFFFAOYSA-N 1 2 290.331 -1.203 20 0 CAADLO C[C@H](O)C[NH+]1CC(NC(=O)CCNS(C)(=O)=O)C1 ZINC001373433310 887739098 /nfs/dbraw/zinc/73/90/98/887739098.db2.gz UKYRBRXUWBIJGK-QMMMGPOBSA-N 1 2 279.362 -1.893 20 0 CAADLO CNC(=O)CCCC(=O)NC1C[NH+](C[C@@H](O)COC)C1 ZINC001373424225 887739779 /nfs/dbraw/zinc/73/97/79/887739779.db2.gz XNMSVYQVADCGDC-LLVKDONJSA-N 1 2 287.360 -1.290 20 0 CAADLO CCC(=O)NCC(=O)NC1C[NH+](C[C@@H](O)COC)C1 ZINC001373419150 887740148 /nfs/dbraw/zinc/74/01/48/887740148.db2.gz XUVUOBFOKKDKKY-SNVBAGLBSA-N 1 2 273.333 -1.680 20 0 CAADLO CC[C@@H](NC(C)=O)C(=O)NC1C[NH+](C[C@@H](O)COC)C1 ZINC001373457882 887742671 /nfs/dbraw/zinc/74/26/71/887742671.db2.gz UKINFNLDTRWQMF-VXGBXAGGSA-N 1 2 287.360 -1.291 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(NC(=O)c2c(C)nc[nH]c2=O)C1 ZINC001373448439 887743236 /nfs/dbraw/zinc/74/32/36/887743236.db2.gz QJVFQOQMDXFKIJ-JTQLQIEISA-N 1 2 296.327 -1.088 20 0 CAADLO CCn1cc(C(=O)NC2C[NH+](C[C@H](O)COC)C2)nn1 ZINC001373469119 887744123 /nfs/dbraw/zinc/74/41/23/887744123.db2.gz SSFPERJJPFZWCD-JTQLQIEISA-N 1 2 283.332 -1.281 20 0 CAADLO CCn1ccc(CC(=O)NCC2C[NH+](CC(N)=O)C2)n1 ZINC001373507116 887744994 /nfs/dbraw/zinc/74/49/94/887744994.db2.gz AIHPZYMQVXVNKE-UHFFFAOYSA-N 1 2 279.344 -1.021 20 0 CAADLO C[C@H](C(=O)NC(N)=O)[NH+]1CC(CNC(=O)[C@H]2CCCO2)C1 ZINC001373498376 887745070 /nfs/dbraw/zinc/74/50/70/887745070.db2.gz TXMIVTVPAUYOEJ-PSASIEDQSA-N 1 2 298.343 -1.203 20 0 CAADLO CNC(=O)C[NH+]1CC(CNC(=O)CO[C@H]2CCOC2)C1 ZINC001373509038 887745163 /nfs/dbraw/zinc/74/51/63/887745163.db2.gz VQIYIGBWPUGKJW-NSHDSACASA-N 1 2 285.344 -1.414 20 0 CAADLO C[C@H](C(N)=O)[NH+]1CC(CNC(=O)C[C@H]2CCNC2=O)C1 ZINC001373513869 887745379 /nfs/dbraw/zinc/74/53/79/887745379.db2.gz OMTLOKXICXPKJU-PSASIEDQSA-N 1 2 282.344 -1.566 20 0 CAADLO C[C@@H](C(N)=O)[NH+]1CC(CNC(=O)CO[C@H]2CCOC2)C1 ZINC001373509486 887745776 /nfs/dbraw/zinc/74/57/76/887745776.db2.gz ZFPROJUYCPXQAB-ONGXEEELSA-N 1 2 285.344 -1.286 20 0 CAADLO C[C@@H](C(=O)NC(N)=O)[NH+]1CC(CNC(=O)[C@@H]2CCCO2)C1 ZINC001373498386 887745538 /nfs/dbraw/zinc/74/55/38/887745538.db2.gz TXMIVTVPAUYOEJ-WPRPVWTQSA-N 1 2 298.343 -1.203 20 0 CAADLO Cc1ncc(C(=O)NCC2C[NH+](CC(=O)NC(N)=O)C2)[nH]1 ZINC001373500939 887746081 /nfs/dbraw/zinc/74/60/81/887746081.db2.gz CCDBHCVVNKHCCL-UHFFFAOYSA-N 1 2 294.315 -1.425 20 0 CAADLO CC(C)[C@@H](O)C(=O)NCC1C[NH+](CC(=O)NC(N)=O)C1 ZINC001373508187 887746869 /nfs/dbraw/zinc/74/68/69/887746869.db2.gz NEHNLDAEKYWFQK-SNVBAGLBSA-N 1 2 286.332 -1.754 20 0 CAADLO C[C@@H](C(N)=O)[NH+]1CC(CNC(=O)CO[C@@H]2CCOC2)C1 ZINC001373509477 887747327 /nfs/dbraw/zinc/74/73/27/887747327.db2.gz ZFPROJUYCPXQAB-GXSJLCMTSA-N 1 2 285.344 -1.286 20 0 CAADLO C[C@@H](C(=O)NC(N)=O)[NH+]1CC(CNC(=O)[C@H]2CCCO2)C1 ZINC001373498382 887747798 /nfs/dbraw/zinc/74/77/98/887747798.db2.gz TXMIVTVPAUYOEJ-WCBMZHEXSA-N 1 2 298.343 -1.203 20 0 CAADLO C[C@H](C(N)=O)[NH+]1CC(CNC(=O)Cc2cnn(C)c2)C1 ZINC001373501864 887747835 /nfs/dbraw/zinc/74/78/35/887747835.db2.gz GNKKVLBGJHMGSQ-SECBINFHSA-N 1 2 279.344 -1.116 20 0 CAADLO C[C@@H](CC(=O)NCC1C[NH+]([C@@H](C)C(N)=O)C1)NC(N)=O ZINC001373508424 887748153 /nfs/dbraw/zinc/74/81/53/887748153.db2.gz OOYXJLHQEVNTQD-YUMQZZPRSA-N 1 2 285.348 -1.645 20 0 CAADLO NC(=O)NC(=O)C[NH+]1CC(CNC(=O)c2ccncn2)C1 ZINC001373542445 887749873 /nfs/dbraw/zinc/74/98/73/887749873.db2.gz DBBQIKKGQCCLAK-UHFFFAOYSA-N 1 2 292.299 -1.667 20 0 CAADLO CC(C)NC(=O)C[NH+]1CC(CNC(=O)c2nnn(C)n2)C1 ZINC001373530718 887750371 /nfs/dbraw/zinc/75/03/71/887750371.db2.gz LLLIELBUMACSGQ-UHFFFAOYSA-N 1 2 295.347 -1.604 20 0 CAADLO CNC(=O)C[NH+]1CC(CNC(=O)CN2CCNC(=O)C2)C1 ZINC001373530651 887751415 /nfs/dbraw/zinc/75/14/15/887751415.db2.gz RHMZSYVSJNNPPY-UHFFFAOYSA-N 1 2 297.359 -2.788 20 0 CAADLO CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2nccnc2N)C1 ZINC001373624715 887754768 /nfs/dbraw/zinc/75/47/68/887754768.db2.gz UMOFJLADZWMWEO-SECBINFHSA-N 1 2 292.343 -1.001 20 0 CAADLO CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2nccnc2N)C1 ZINC001373624715 887754774 /nfs/dbraw/zinc/75/47/74/887754774.db2.gz UMOFJLADZWMWEO-SECBINFHSA-N 1 2 292.343 -1.001 20 0 CAADLO CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2COC(=O)N2)C1 ZINC001373626534 887755772 /nfs/dbraw/zinc/75/57/72/887755772.db2.gz VXXPOKDSCGBDMU-BDAKNGLRSA-N 1 2 284.316 -1.579 20 0 CAADLO CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2COC(=O)N2)C1 ZINC001373626534 887755775 /nfs/dbraw/zinc/75/57/75/887755775.db2.gz VXXPOKDSCGBDMU-BDAKNGLRSA-N 1 2 284.316 -1.579 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CNC(=O)C2CC2)C1 ZINC001373622565 887757100 /nfs/dbraw/zinc/75/71/00/887757100.db2.gz KYHIDIVXECQDIM-SNVBAGLBSA-N 1 2 282.344 -1.551 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)CNC(=O)C2CC2)C1 ZINC001373622565 887757111 /nfs/dbraw/zinc/75/71/11/887757111.db2.gz KYHIDIVXECQDIM-SNVBAGLBSA-N 1 2 282.344 -1.551 20 0 CAADLO CN(CCNC(=O)Cc1[nH]cc[nH+]1)C(=O)Cn1ncnn1 ZINC001373633506 887757463 /nfs/dbraw/zinc/75/74/63/887757463.db2.gz LEZOLUIKXORZGQ-UHFFFAOYSA-N 1 2 292.303 -1.787 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H](COC)OC)C1 ZINC001373602357 887758115 /nfs/dbraw/zinc/75/81/15/887758115.db2.gz BBVYSGIITDBSTE-VHSXEESVSA-N 1 2 273.333 -1.416 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H](COC)OC)C1 ZINC001373602357 887758124 /nfs/dbraw/zinc/75/81/24/887758124.db2.gz BBVYSGIITDBSTE-VHSXEESVSA-N 1 2 273.333 -1.416 20 0 CAADLO CCS(=O)(=O)CC(=O)N[C@H]1CC[N@H+](CCCO)C1 ZINC001373612671 887758554 /nfs/dbraw/zinc/75/85/54/887758554.db2.gz GXXFLPZSCUZQHL-JTQLQIEISA-N 1 2 278.374 -1.006 20 0 CAADLO CN(C(=O)CO[C@@H]1CCOC1)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001373663292 887759622 /nfs/dbraw/zinc/75/96/22/887759622.db2.gz GPZNVZUZHYVPIL-GHMZBOCLSA-N 1 2 285.344 -1.190 20 0 CAADLO CN(C(=O)CO[C@@H]1CCOC1)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001373663292 887759633 /nfs/dbraw/zinc/75/96/33/887759633.db2.gz GPZNVZUZHYVPIL-GHMZBOCLSA-N 1 2 285.344 -1.190 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H](COC)OC)C1 ZINC001373680890 887759936 /nfs/dbraw/zinc/75/99/36/887759936.db2.gz HSTSHUAXJVBKCY-GHMZBOCLSA-N 1 2 287.360 -1.074 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H](COC)OC)C1 ZINC001373680890 887759945 /nfs/dbraw/zinc/75/99/45/887759945.db2.gz HSTSHUAXJVBKCY-GHMZBOCLSA-N 1 2 287.360 -1.074 20 0 CAADLO CN(C(=O)CO[C@@H]1CCOC1)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001373663308 887761144 /nfs/dbraw/zinc/76/11/44/887761144.db2.gz GPZNVZUZHYVPIL-WDEREUQCSA-N 1 2 285.344 -1.190 20 0 CAADLO CN(C(=O)CO[C@@H]1CCOC1)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001373663308 887761158 /nfs/dbraw/zinc/76/11/58/887761158.db2.gz GPZNVZUZHYVPIL-WDEREUQCSA-N 1 2 285.344 -1.190 20 0 CAADLO Cc1noc(CCC(=O)N[C@@H]2CC[N@H+](CC(N)=O)C2)n1 ZINC001373636553 887761266 /nfs/dbraw/zinc/76/12/66/887761266.db2.gz JWROMVHKGUPKNB-SECBINFHSA-N 1 2 281.316 -1.014 20 0 CAADLO Cc1noc(CCC(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C2)n1 ZINC001373636553 887761280 /nfs/dbraw/zinc/76/12/80/887761280.db2.gz JWROMVHKGUPKNB-SECBINFHSA-N 1 2 281.316 -1.014 20 0 CAADLO CN(CCNC(=O)Cc1[nH]cc[nH+]1)C(=O)[C@H]1COCCO1 ZINC001373635215 887761309 /nfs/dbraw/zinc/76/13/09/887761309.db2.gz RNLJQRSHCUKHDA-SNVBAGLBSA-N 1 2 296.327 -1.058 20 0 CAADLO CCC(=O)N[C@H](C)C(=O)N(C)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001373671936 887761429 /nfs/dbraw/zinc/76/14/29/887761429.db2.gz ITOJHFXYSGGXQH-NXEZZACHSA-N 1 2 284.360 -1.081 20 0 CAADLO CCC(=O)N[C@H](C)C(=O)N(C)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001373671936 887761441 /nfs/dbraw/zinc/76/14/41/887761441.db2.gz ITOJHFXYSGGXQH-NXEZZACHSA-N 1 2 284.360 -1.081 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)[C@H](COC)OC)C1 ZINC001373680892 887761494 /nfs/dbraw/zinc/76/14/94/887761494.db2.gz HSTSHUAXJVBKCY-QWRGUYRKSA-N 1 2 287.360 -1.074 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](N(C)C(=O)[C@H](COC)OC)C1 ZINC001373680892 887761506 /nfs/dbraw/zinc/76/15/06/887761506.db2.gz HSTSHUAXJVBKCY-QWRGUYRKSA-N 1 2 287.360 -1.074 20 0 CAADLO COCC(=O)N(C)[C@@H]1CC[N@H+](Cc2nc(=O)n(C)[nH]2)C1 ZINC001373665019 887762581 /nfs/dbraw/zinc/76/25/81/887762581.db2.gz XYZGMBCMTOVRMA-SECBINFHSA-N 1 2 283.332 -1.213 20 0 CAADLO COCC(=O)N(C)[C@@H]1CC[N@@H+](Cc2nc(=O)n(C)[nH]2)C1 ZINC001373665019 887762589 /nfs/dbraw/zinc/76/25/89/887762589.db2.gz XYZGMBCMTOVRMA-SECBINFHSA-N 1 2 283.332 -1.213 20 0 CAADLO Cn1cnnc1COCC(=O)N[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001373646733 887762858 /nfs/dbraw/zinc/76/28/58/887762858.db2.gz MOKOWUSGKNBREL-SECBINFHSA-N 1 2 296.331 -1.993 20 0 CAADLO Cn1cnnc1COCC(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001373646733 887762873 /nfs/dbraw/zinc/76/28/73/887762873.db2.gz MOKOWUSGKNBREL-SECBINFHSA-N 1 2 296.331 -1.993 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H](COC)OC)C1 ZINC001373680891 887763504 /nfs/dbraw/zinc/76/35/04/887763504.db2.gz HSTSHUAXJVBKCY-MNOVXSKESA-N 1 2 287.360 -1.074 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)[C@H](COC)OC)C1 ZINC001373680891 887763520 /nfs/dbraw/zinc/76/35/20/887763520.db2.gz HSTSHUAXJVBKCY-MNOVXSKESA-N 1 2 287.360 -1.074 20 0 CAADLO CN(C(=O)c1cc[nH]n1)[C@H]1CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001373657702 887763648 /nfs/dbraw/zinc/76/36/48/887763648.db2.gz QHBDDOAOWNJFIM-QMMMGPOBSA-N 1 2 294.315 -1.249 20 0 CAADLO CN(C(=O)c1cc[nH]n1)[C@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001373657702 887763661 /nfs/dbraw/zinc/76/36/61/887763661.db2.gz QHBDDOAOWNJFIM-QMMMGPOBSA-N 1 2 294.315 -1.249 20 0 CAADLO CN(C(=O)c1ccn[nH]1)[C@H]1CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001373657702 887763674 /nfs/dbraw/zinc/76/36/74/887763674.db2.gz QHBDDOAOWNJFIM-QMMMGPOBSA-N 1 2 294.315 -1.249 20 0 CAADLO CN(C(=O)c1ccn[nH]1)[C@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001373657702 887763686 /nfs/dbraw/zinc/76/36/86/887763686.db2.gz QHBDDOAOWNJFIM-QMMMGPOBSA-N 1 2 294.315 -1.249 20 0 CAADLO CCC(=O)N[C@@H](C)C(=O)N(C)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001373671938 887763870 /nfs/dbraw/zinc/76/38/70/887763870.db2.gz ITOJHFXYSGGXQH-UWVGGRQHSA-N 1 2 284.360 -1.081 20 0 CAADLO CCC(=O)N[C@@H](C)C(=O)N(C)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001373671938 887763881 /nfs/dbraw/zinc/76/38/81/887763881.db2.gz ITOJHFXYSGGXQH-UWVGGRQHSA-N 1 2 284.360 -1.081 20 0 CAADLO CC[C@@H](CNC(=O)c1cnnn1C)[NH2+]Cc1nnn(C)n1 ZINC001373751250 887765721 /nfs/dbraw/zinc/76/57/21/887765721.db2.gz ULENZUIVXXEQKF-QMMMGPOBSA-N 1 2 293.335 -1.363 20 0 CAADLO CCC[C@@H](NC(N)=O)C(=O)N(C)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001373691761 887768458 /nfs/dbraw/zinc/76/84/58/887768458.db2.gz WOLRUHPWFYFMNJ-NXEZZACHSA-N 1 2 299.375 -1.159 20 0 CAADLO CCC[C@@H](NC(N)=O)C(=O)N(C)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001373691761 887768469 /nfs/dbraw/zinc/76/84/69/887768469.db2.gz WOLRUHPWFYFMNJ-NXEZZACHSA-N 1 2 299.375 -1.159 20 0 CAADLO COC[C@@H](O)C[N@@H+]1CCO[C@@H](CNC(=O)c2ncc[nH]2)C1 ZINC001374127433 887777302 /nfs/dbraw/zinc/77/73/02/887777302.db2.gz YZXFFPYBLPZYDX-QWRGUYRKSA-N 1 2 298.343 -1.152 20 0 CAADLO COC[C@@H](O)C[N@H+]1CCO[C@@H](CNC(=O)c2ncc[nH]2)C1 ZINC001374127433 887777312 /nfs/dbraw/zinc/77/73/12/887777312.db2.gz YZXFFPYBLPZYDX-QWRGUYRKSA-N 1 2 298.343 -1.152 20 0 CAADLO COC[C@@H](O)C[N@@H+]1CCO[C@@H](CNC(=O)c2cn[nH]n2)C1 ZINC001374132177 887777342 /nfs/dbraw/zinc/77/73/42/887777342.db2.gz PSHJOMHAYZJHCQ-UWVGGRQHSA-N 1 2 299.331 -1.757 20 0 CAADLO COC[C@@H](O)C[N@H+]1CCO[C@@H](CNC(=O)c2cn[nH]n2)C1 ZINC001374132177 887777352 /nfs/dbraw/zinc/77/73/52/887777352.db2.gz PSHJOMHAYZJHCQ-UWVGGRQHSA-N 1 2 299.331 -1.757 20 0 CAADLO CNC(=O)NCC(=O)N1CCC2(C[NH+](CC(N)=O)C2)CC1 ZINC001374182419 887778573 /nfs/dbraw/zinc/77/85/73/887778573.db2.gz CAPNUVCVHSEZLN-UHFFFAOYSA-N 1 2 297.359 -1.675 20 0 CAADLO COCCC(=O)NC[C@@H]1C[N@H+](C[C@@H](O)COC)CCO1 ZINC001374113255 887779194 /nfs/dbraw/zinc/77/91/94/887779194.db2.gz AXWOBCWVXYZEAB-VXGBXAGGSA-N 1 2 290.360 -1.153 20 0 CAADLO COCCC(=O)NC[C@@H]1C[N@@H+](C[C@@H](O)COC)CCO1 ZINC001374113255 887779206 /nfs/dbraw/zinc/77/92/06/887779206.db2.gz AXWOBCWVXYZEAB-VXGBXAGGSA-N 1 2 290.360 -1.153 20 0 CAADLO CN(CC[N@H+](C)Cc1ccnn1C)C(=O)Cn1cnnn1 ZINC001374463211 887785490 /nfs/dbraw/zinc/78/54/90/887785490.db2.gz WSSJNAKHMJYQOZ-UHFFFAOYSA-N 1 2 292.347 -1.003 20 0 CAADLO CN(CC[N@@H+](C)Cc1ccnn1C)C(=O)Cn1cnnn1 ZINC001374463211 887785501 /nfs/dbraw/zinc/78/55/01/887785501.db2.gz WSSJNAKHMJYQOZ-UHFFFAOYSA-N 1 2 292.347 -1.003 20 0 CAADLO CC(C)NC(=O)C[N@H+](C)CCN(C)C(=O)Cn1cnnn1 ZINC001374463313 887788462 /nfs/dbraw/zinc/78/84/62/887788462.db2.gz ZJYDMAXQQBAPMH-UHFFFAOYSA-N 1 2 297.363 -1.412 20 0 CAADLO CC(C)NC(=O)C[N@@H+](C)CCN(C)C(=O)Cn1cnnn1 ZINC001374463313 887788473 /nfs/dbraw/zinc/78/84/73/887788473.db2.gz ZJYDMAXQQBAPMH-UHFFFAOYSA-N 1 2 297.363 -1.412 20 0 CAADLO CN(CC[N@H+](C)CC(N)=O)C(=O)C[C@@H]1CCNC1=O ZINC001374499500 887791654 /nfs/dbraw/zinc/79/16/54/887791654.db2.gz MZSQEQBSNAHELL-VIFPVBQESA-N 1 2 270.333 -1.612 20 0 CAADLO CN(CC[N@@H+](C)CC(N)=O)C(=O)C[C@@H]1CCNC1=O ZINC001374499500 887791672 /nfs/dbraw/zinc/79/16/72/887791672.db2.gz MZSQEQBSNAHELL-VIFPVBQESA-N 1 2 270.333 -1.612 20 0 CAADLO C[C@H](NC(N)=O)C(=O)N(C)CC[N@H+](C)Cc1cnnn1C ZINC001374491720 887792222 /nfs/dbraw/zinc/79/22/22/887792222.db2.gz XXKFLGXETVKHCH-VIFPVBQESA-N 1 2 297.363 -1.238 20 0 CAADLO C[C@H](NC(N)=O)C(=O)N(C)CC[N@@H+](C)Cc1cnnn1C ZINC001374491720 887792234 /nfs/dbraw/zinc/79/22/34/887792234.db2.gz XXKFLGXETVKHCH-VIFPVBQESA-N 1 2 297.363 -1.238 20 0 CAADLO CCc1nnc(C[NH2+]C[C@@H](O)CNC(=O)COC)o1 ZINC001374566508 887793575 /nfs/dbraw/zinc/79/35/75/887793575.db2.gz FMKBJVNVDOUIRR-MRVPVSSYSA-N 1 2 272.305 -1.155 20 0 CAADLO Cc1noc(C[NH2+]C[C@@H](O)CNC(=O)c2ccnn2C)n1 ZINC001374584621 887798697 /nfs/dbraw/zinc/79/86/97/887798697.db2.gz OXNWPSJGRUZELZ-SECBINFHSA-N 1 2 294.315 -1.008 20 0 CAADLO Cc1noc(C[NH2+]C[C@@H](O)CNC(=O)c2cn[nH]c2)n1 ZINC001374582860 887801459 /nfs/dbraw/zinc/80/14/59/887801459.db2.gz CYKUMBFVGJLOIQ-SECBINFHSA-N 1 2 280.288 -1.018 20 0 CAADLO Cc1nnc(C[NH2+]C[C@H](O)CNC(=O)c2cncn2C)o1 ZINC001374630419 887817501 /nfs/dbraw/zinc/81/75/01/887817501.db2.gz QRVOATSWFGELFT-VIFPVBQESA-N 1 2 294.315 -1.008 20 0 CAADLO O=C(CCc1cn[nH]n1)NC[C@H](O)C[NH2+]Cc1ccon1 ZINC001374652908 887822725 /nfs/dbraw/zinc/82/27/25/887822725.db2.gz PHMHUUYRIBSDSS-LLVKDONJSA-N 1 2 294.315 -1.008 20 0 CAADLO O=C(CCc1c[nH]nn1)NC[C@H](O)C[NH2+]Cc1ccon1 ZINC001374652908 887822734 /nfs/dbraw/zinc/82/27/34/887822734.db2.gz PHMHUUYRIBSDSS-LLVKDONJSA-N 1 2 294.315 -1.008 20 0 CAADLO O=C(NC[C@@H](O)C[NH2+]Cc1ncccn1)c1nnc[nH]1 ZINC001374660082 887827543 /nfs/dbraw/zinc/82/75/43/887827543.db2.gz PSMFFFPLBNJIHY-QMMMGPOBSA-N 1 2 277.288 -1.525 20 0 CAADLO NC(=O)[C@@H]1C[C@@H]1C(=O)NC[C@@H](O)C[NH2+]Cc1cnsn1 ZINC001374657030 887827934 /nfs/dbraw/zinc/82/79/34/887827934.db2.gz QQNDKGXZWQVNGJ-YIZRAAEISA-N 1 2 299.356 -1.774 20 0 CAADLO NC(=O)[C@@H]1C[C@@H]1C(=O)NC[C@H](O)C[NH2+]Cc1cnsn1 ZINC001374657029 887828761 /nfs/dbraw/zinc/82/87/61/887828761.db2.gz QQNDKGXZWQVNGJ-HLTSFMKQSA-N 1 2 299.356 -1.774 20 0 CAADLO CCc1noc(C[NH2+]C[C@@H](C)NC(=O)Cn2ncnn2)n1 ZINC001374756381 887840631 /nfs/dbraw/zinc/84/06/31/887840631.db2.gz PJBQCNVZAOTMNK-MRVPVSSYSA-N 1 2 294.319 -1.087 20 0 CAADLO C[C@@H](C[NH2+][C@@H](C)c1nnnn1C)NC(=O)c1cn[nH]n1 ZINC001374906307 887851623 /nfs/dbraw/zinc/85/16/23/887851623.db2.gz NFCUDEXLOMJKOU-BQBZGAKWSA-N 1 2 279.308 -1.203 20 0 CAADLO C[C@@H](C[NH2+][C@@H](C)c1nnnn1C)NC(=O)c1cnn[nH]1 ZINC001374906307 887851638 /nfs/dbraw/zinc/85/16/38/887851638.db2.gz NFCUDEXLOMJKOU-BQBZGAKWSA-N 1 2 279.308 -1.203 20 0 CAADLO CN(C)C(=O)C[N@@H+]1CC[C@@H]1CNC(=O)CCn1ccnn1 ZINC001375310485 887869091 /nfs/dbraw/zinc/86/90/91/887869091.db2.gz NJOWOIRYVHCBRC-LLVKDONJSA-N 1 2 294.359 -1.053 20 0 CAADLO CN(C)C(=O)C[N@H+]1CC[C@@H]1CNC(=O)CCn1ccnn1 ZINC001375310485 887869102 /nfs/dbraw/zinc/86/91/02/887869102.db2.gz NJOWOIRYVHCBRC-LLVKDONJSA-N 1 2 294.359 -1.053 20 0 CAADLO CC[C@H](C(N)=O)[N@@H+]1CC[C@@H]1CNC(=O)CCNC(=O)NC ZINC001375308815 887870514 /nfs/dbraw/zinc/87/05/14/887870514.db2.gz WTYQTLAPQHETFC-NXEZZACHSA-N 1 2 299.375 -1.240 20 0 CAADLO CC[C@H](C(N)=O)[N@H+]1CC[C@@H]1CNC(=O)CCNC(=O)NC ZINC001375308815 887870523 /nfs/dbraw/zinc/87/05/23/887870523.db2.gz WTYQTLAPQHETFC-NXEZZACHSA-N 1 2 299.375 -1.240 20 0 CAADLO CC(=O)N(C)CC(=O)NC[C@H]1CC[N@@H+]1[C@@H]1CCCNC1=O ZINC001375296784 887870807 /nfs/dbraw/zinc/87/08/07/887870807.db2.gz TWWHMSAGZLXPOW-VXGBXAGGSA-N 1 2 296.371 -1.066 20 0 CAADLO CC(=O)N(C)CC(=O)NC[C@H]1CC[N@H+]1[C@@H]1CCCNC1=O ZINC001375296784 887870816 /nfs/dbraw/zinc/87/08/16/887870816.db2.gz TWWHMSAGZLXPOW-VXGBXAGGSA-N 1 2 296.371 -1.066 20 0 CAADLO Cn1cnnc1C[NH2+]C1(CNC(=O)[C@@H]2COCCO2)CC1 ZINC001375397631 887872521 /nfs/dbraw/zinc/87/25/21/887872521.db2.gz OWSGUEZOAZNHFA-JTQLQIEISA-N 1 2 295.343 -1.031 20 0 CAADLO CC[C@H](C(N)=O)[N@@H+]1CC[C@@H]1CNC(=O)Cc1nc[nH]n1 ZINC001375360250 887873076 /nfs/dbraw/zinc/87/30/76/887873076.db2.gz YUPWWGXNQSYINB-RKDXNWHRSA-N 1 2 280.332 -1.198 20 0 CAADLO CC[C@H](C(N)=O)[N@H+]1CC[C@@H]1CNC(=O)Cc1nc[nH]n1 ZINC001375360250 887873090 /nfs/dbraw/zinc/87/30/90/887873090.db2.gz YUPWWGXNQSYINB-RKDXNWHRSA-N 1 2 280.332 -1.198 20 0 CAADLO C[C@H](O)C[N@@H+]1CC[C@@H]1CNC(=O)CCS(C)(=O)=O ZINC001375321443 887874066 /nfs/dbraw/zinc/87/40/66/887874066.db2.gz OHHWAQQTTAKUAP-VHSXEESVSA-N 1 2 278.374 -1.008 20 0 CAADLO C[C@H](O)C[N@H+]1CC[C@@H]1CNC(=O)CCS(C)(=O)=O ZINC001375321443 887874081 /nfs/dbraw/zinc/87/40/81/887874081.db2.gz OHHWAQQTTAKUAP-VHSXEESVSA-N 1 2 278.374 -1.008 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CC[C@H]1CN(C)C(=O)CCn1cnnn1 ZINC001375467700 887877413 /nfs/dbraw/zinc/87/74/13/887877413.db2.gz OWAHCWHIZISUBI-ZJUUUORDSA-N 1 2 295.347 -1.530 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CC[C@H]1CN(C)C(=O)CCn1cnnn1 ZINC001375467700 887877426 /nfs/dbraw/zinc/87/74/26/887877426.db2.gz OWAHCWHIZISUBI-ZJUUUORDSA-N 1 2 295.347 -1.530 20 0 CAADLO CCNC(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CNC(=O)N1 ZINC001375457554 887878298 /nfs/dbraw/zinc/87/82/98/887878298.db2.gz MPFWYFLCHSWGQF-UWVGGRQHSA-N 1 2 297.359 -1.663 20 0 CAADLO CCNC(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CNC(=O)N1 ZINC001375457554 887878307 /nfs/dbraw/zinc/87/83/07/887878307.db2.gz MPFWYFLCHSWGQF-UWVGGRQHSA-N 1 2 297.359 -1.663 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CC[C@H]1CN(C)C(=O)Cc1nnc[nH]1 ZINC001375477680 887878440 /nfs/dbraw/zinc/87/84/40/887878440.db2.gz UEVRHCWLYKPPES-BDAKNGLRSA-N 1 2 280.332 -1.246 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CC[C@H]1CN(C)C(=O)Cc1nnc[nH]1 ZINC001375477680 887878447 /nfs/dbraw/zinc/87/84/47/887878447.db2.gz UEVRHCWLYKPPES-BDAKNGLRSA-N 1 2 280.332 -1.246 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CC[C@H]1CN(C)C(=O)CCn1cnnn1 ZINC001375467686 887878739 /nfs/dbraw/zinc/87/87/39/887878739.db2.gz OWAHCWHIZISUBI-UWVGGRQHSA-N 1 2 295.347 -1.530 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CC[C@H]1CN(C)C(=O)CCn1cnnn1 ZINC001375467686 887878743 /nfs/dbraw/zinc/87/87/43/887878743.db2.gz OWAHCWHIZISUBI-UWVGGRQHSA-N 1 2 295.347 -1.530 20 0 CAADLO CC(=O)NCC(=O)NC[C@H]1C[C@@H]([NH2+]Cc2nnn(C)n2)C1 ZINC001375476747 887878924 /nfs/dbraw/zinc/87/89/24/887878924.db2.gz MOXGHENDPTXIOY-AOOOYVTPSA-N 1 2 295.347 -1.669 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(N(C)C(=O)[C@@H]2COCCO2)C1 ZINC001375664925 887885243 /nfs/dbraw/zinc/88/52/43/887885243.db2.gz VZWXZMNRXQXFAJ-RYUDHWBXSA-N 1 2 288.344 -1.448 20 0 CAADLO CCS(=O)(=O)N(C)CC(=O)N(C)C1C[NH+](CCO)C1 ZINC001375717696 887889520 /nfs/dbraw/zinc/88/95/20/887889520.db2.gz OIYGCHMQFMBWHZ-UHFFFAOYSA-N 1 2 293.389 -1.597 20 0 CAADLO C[C@H](NS(C)(=O)=O)C(=O)N(C)C1C[NH+](CCO)C1 ZINC001375713184 887889756 /nfs/dbraw/zinc/88/97/56/887889756.db2.gz WDSZZDVRXVUBFD-QMMMGPOBSA-N 1 2 279.362 -1.941 20 0 CAADLO CN(C(=O)C(C)(C)NS(C)(=O)=O)C1C[NH+](CCO)C1 ZINC001375712837 887890691 /nfs/dbraw/zinc/89/06/91/887890691.db2.gz UMTURPFVPKTEQO-UHFFFAOYSA-N 1 2 293.389 -1.551 20 0 CAADLO COC[C@H](O)C[NH+]1CC(N(C)C(=O)c2cnon2)C1 ZINC001375718872 887890726 /nfs/dbraw/zinc/89/07/26/887890726.db2.gz YGBVCASAQPUGGL-SECBINFHSA-N 1 2 270.289 -1.167 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(N(C)C(=O)c2cnon2)C1 ZINC001375718969 887890731 /nfs/dbraw/zinc/89/07/31/887890731.db2.gz YGBVCASAQPUGGL-VIFPVBQESA-N 1 2 270.289 -1.167 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)CCc2nnc[nH]2)C1 ZINC001376002611 887894047 /nfs/dbraw/zinc/89/40/47/887894047.db2.gz HHIJYBFHQIAOKL-GFCCVEGCSA-N 1 2 296.331 -2.224 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)CCc2nnc[nH]2)C1 ZINC001376002611 887894048 /nfs/dbraw/zinc/89/40/48/887894048.db2.gz HHIJYBFHQIAOKL-GFCCVEGCSA-N 1 2 296.331 -2.224 20 0 CAADLO COCCC(=O)N[C@@H]1CCC[N@H+](CC(=O)NC(N)=O)C1 ZINC001376024390 887897023 /nfs/dbraw/zinc/89/70/23/887897023.db2.gz GCTNEUZOOWSYBF-SECBINFHSA-N 1 2 286.332 -1.202 20 0 CAADLO COCCC(=O)N[C@@H]1CCC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001376024390 887897028 /nfs/dbraw/zinc/89/70/28/887897028.db2.gz GCTNEUZOOWSYBF-SECBINFHSA-N 1 2 286.332 -1.202 20 0 CAADLO COCC(=O)N[C@H]1CCC[N@@H+]([C@H](C)C(=O)NC(N)=O)C1 ZINC001376024182 887897217 /nfs/dbraw/zinc/89/72/17/887897217.db2.gz DRWPBFZFDQGTEO-BDAKNGLRSA-N 1 2 286.332 -1.203 20 0 CAADLO COCC(=O)N[C@H]1CCC[N@H+]([C@H](C)C(=O)NC(N)=O)C1 ZINC001376024182 887897221 /nfs/dbraw/zinc/89/72/21/887897221.db2.gz DRWPBFZFDQGTEO-BDAKNGLRSA-N 1 2 286.332 -1.203 20 0 CAADLO NC(=O)NC(=O)C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCOC2)C1 ZINC001376030775 887897963 /nfs/dbraw/zinc/89/79/63/887897963.db2.gz LNTDGZPNKDSTAP-VHSXEESVSA-N 1 2 298.343 -1.202 20 0 CAADLO NC(=O)NC(=O)C[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCOC2)C1 ZINC001376030775 887897972 /nfs/dbraw/zinc/89/79/72/887897972.db2.gz LNTDGZPNKDSTAP-VHSXEESVSA-N 1 2 298.343 -1.202 20 0 CAADLO COCCC(=O)N[C@H]1CCC[N@H+](CC(=O)NC(N)=O)C1 ZINC001376024393 887899654 /nfs/dbraw/zinc/89/96/54/887899654.db2.gz GCTNEUZOOWSYBF-VIFPVBQESA-N 1 2 286.332 -1.202 20 0 CAADLO COCCC(=O)N[C@H]1CCC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001376024393 887899660 /nfs/dbraw/zinc/89/96/60/887899660.db2.gz GCTNEUZOOWSYBF-VIFPVBQESA-N 1 2 286.332 -1.202 20 0 CAADLO Cn1cnc(C(=O)NC[C@@]2(O)CC[N@H+](CC(N)=O)C2)n1 ZINC001376037623 887899923 /nfs/dbraw/zinc/89/99/23/887899923.db2.gz OEOOYZOLHXWYSQ-NSHDSACASA-N 1 2 282.304 -2.533 20 0 CAADLO Cn1cnc(C(=O)NC[C@@]2(O)CC[N@@H+](CC(N)=O)C2)n1 ZINC001376037623 887899930 /nfs/dbraw/zinc/89/99/30/887899930.db2.gz OEOOYZOLHXWYSQ-NSHDSACASA-N 1 2 282.304 -2.533 20 0 CAADLO CNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)CCCC(N)=O)C1 ZINC001376069066 887900131 /nfs/dbraw/zinc/90/01/31/887900131.db2.gz KMYGCMMIVQGFQA-SNVBAGLBSA-N 1 2 284.360 -1.031 20 0 CAADLO CNC(=O)C[N@H+]1CCC[C@@H](NC(=O)CCCC(N)=O)C1 ZINC001376069066 887900137 /nfs/dbraw/zinc/90/01/37/887900137.db2.gz KMYGCMMIVQGFQA-SNVBAGLBSA-N 1 2 284.360 -1.031 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(O)(CNC(=O)c2cccnc2)C1 ZINC001376113377 887902304 /nfs/dbraw/zinc/90/23/04/887902304.db2.gz QQNGISSUVDOCGB-LBPRGKRZSA-N 1 2 295.339 -1.135 20 0 CAADLO COC[C@H](O)C[NH+]1CC(O)(CNC(=O)C(C)(F)F)C1 ZINC001376111426 887903656 /nfs/dbraw/zinc/90/36/56/887903656.db2.gz KWPICXZINLGPIZ-MRVPVSSYSA-N 1 2 282.287 -1.188 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(O)(CNC(=O)C(C)(F)F)C1 ZINC001376111433 887903838 /nfs/dbraw/zinc/90/38/38/887903838.db2.gz KWPICXZINLGPIZ-QMMMGPOBSA-N 1 2 282.287 -1.188 20 0 CAADLO CC(=O)N[C@H](C)C(=O)N[C@H]1CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001376123390 887905995 /nfs/dbraw/zinc/90/59/95/887905995.db2.gz PISTXKHXNWMHCP-APPZFPTMSA-N 1 2 299.331 -2.104 20 0 CAADLO CC(=O)N[C@H](C)C(=O)N[C@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001376123390 887905997 /nfs/dbraw/zinc/90/59/97/887905997.db2.gz PISTXKHXNWMHCP-APPZFPTMSA-N 1 2 299.331 -2.104 20 0 CAADLO CCO[C@H]1C[C@@H]1C(=O)NCC1(O)C[NH+](CCCO)C1 ZINC001376134737 887906056 /nfs/dbraw/zinc/90/60/56/887906056.db2.gz ZBBBNSCVKVEXQV-QWRGUYRKSA-N 1 2 272.345 -1.043 20 0 CAADLO COC[C@H](O)C[NH+]1CC(O)(CNC(=O)c2cccn2C)C1 ZINC001376128366 887906087 /nfs/dbraw/zinc/90/60/87/887906087.db2.gz AWWLYSKOCIFMQO-LLVKDONJSA-N 1 2 297.355 -1.191 20 0 CAADLO COC[C@H](O)C[NH+]1CC(O)(CNC(=O)c2ccc[nH]2)C1 ZINC001376131929 887906191 /nfs/dbraw/zinc/90/61/91/887906191.db2.gz YYEQJRYKNPNGNW-SNVBAGLBSA-N 1 2 283.328 -1.202 20 0 CAADLO CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cn2cnnn2)C1 ZINC001376118856 887906218 /nfs/dbraw/zinc/90/62/18/887906218.db2.gz IQVLABGKNGTFPH-SECBINFHSA-N 1 2 281.320 -2.000 20 0 CAADLO CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)Cn2cnnn2)C1 ZINC001376118856 887906220 /nfs/dbraw/zinc/90/62/20/887906220.db2.gz IQVLABGKNGTFPH-SECBINFHSA-N 1 2 281.320 -2.000 20 0 CAADLO CCNC(=O)CN1CC[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001376119772 887906249 /nfs/dbraw/zinc/90/62/49/887906249.db2.gz SMSIIGZVSBGCQX-NEPJUHHUSA-N 1 2 298.387 -1.356 20 0 CAADLO CCNC(=O)CN1CC[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001376119772 887906251 /nfs/dbraw/zinc/90/62/51/887906251.db2.gz SMSIIGZVSBGCQX-NEPJUHHUSA-N 1 2 298.387 -1.356 20 0 CAADLO C[C@@H](O)C[NH+]1CC(O)(CNC(=O)c2cnsn2)C1 ZINC001376131552 887906285 /nfs/dbraw/zinc/90/62/85/887906285.db2.gz MIIMATFUQPSIRH-SSDOTTSWSA-N 1 2 272.330 -1.305 20 0 CAADLO CCNC(=O)CN1CC[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001376119774 887907322 /nfs/dbraw/zinc/90/73/22/887907322.db2.gz SMSIIGZVSBGCQX-NWDGAFQWSA-N 1 2 298.387 -1.356 20 0 CAADLO CCNC(=O)CN1CC[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001376119774 887907337 /nfs/dbraw/zinc/90/73/37/887907337.db2.gz SMSIIGZVSBGCQX-NWDGAFQWSA-N 1 2 298.387 -1.356 20 0 CAADLO CCNC(=O)CN1CC[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001376119776 887907375 /nfs/dbraw/zinc/90/73/75/887907375.db2.gz SMSIIGZVSBGCQX-RYUDHWBXSA-N 1 2 298.387 -1.356 20 0 CAADLO CCNC(=O)CN1CC[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001376119776 887907391 /nfs/dbraw/zinc/90/73/91/887907391.db2.gz SMSIIGZVSBGCQX-RYUDHWBXSA-N 1 2 298.387 -1.356 20 0 CAADLO CC(C)NC(=O)C[N@@H+]1CC[C@H](NC(=O)Cn2cnnn2)C1 ZINC001376115786 887907436 /nfs/dbraw/zinc/90/74/36/887907436.db2.gz DNZSFMDZLGKGIO-JTQLQIEISA-N 1 2 295.347 -1.612 20 0 CAADLO CC(C)NC(=O)C[N@H+]1CC[C@H](NC(=O)Cn2cnnn2)C1 ZINC001376115786 887907448 /nfs/dbraw/zinc/90/74/48/887907448.db2.gz DNZSFMDZLGKGIO-JTQLQIEISA-N 1 2 295.347 -1.612 20 0 CAADLO C[C@@H](NS(C)(=O)=O)C(=O)N[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001376144020 887908913 /nfs/dbraw/zinc/90/89/13/887908913.db2.gz BKSQFLPDULCPAW-HTQZYQBOSA-N 1 2 292.361 -2.400 20 0 CAADLO C[C@@H](NS(C)(=O)=O)C(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001376144020 887908914 /nfs/dbraw/zinc/90/89/14/887908914.db2.gz BKSQFLPDULCPAW-HTQZYQBOSA-N 1 2 292.361 -2.400 20 0 CAADLO C[C@@H](NS(C)(=O)=O)C(=O)N[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001376144026 887909807 /nfs/dbraw/zinc/90/98/07/887909807.db2.gz BKSQFLPDULCPAW-SFYZADRCSA-N 1 2 292.361 -2.400 20 0 CAADLO C[C@@H](NS(C)(=O)=O)C(=O)N[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001376144026 887909826 /nfs/dbraw/zinc/90/98/26/887909826.db2.gz BKSQFLPDULCPAW-SFYZADRCSA-N 1 2 292.361 -2.400 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(O)(CNC(=O)Cc2ccon2)C1 ZINC001376153886 887910429 /nfs/dbraw/zinc/91/04/29/887910429.db2.gz YTIBAPMOJFWHDR-NSHDSACASA-N 1 2 299.327 -1.613 20 0 CAADLO COc1cc(C(=O)NCC2(O)C[NH+](CCCO)C2)on1 ZINC001376161876 887912192 /nfs/dbraw/zinc/91/21/92/887912192.db2.gz BXCGVDKWRNABSM-UHFFFAOYSA-N 1 2 285.300 -1.158 20 0 CAADLO C[C@@H](O)C[NH+]1CC(O)(CNC(=O)[C@H]2CCNC(=O)C2)C1 ZINC001376159985 887912197 /nfs/dbraw/zinc/91/21/97/887912197.db2.gz OCQYEHARYCKXCG-ZJUUUORDSA-N 1 2 285.344 -1.944 20 0 CAADLO CC(=O)N1CC(C(=O)NCC2(O)C[NH+](C[C@H](C)O)C2)C1 ZINC001376162715 887912248 /nfs/dbraw/zinc/91/22/48/887912248.db2.gz MRHQZZKEVANRRF-VIFPVBQESA-N 1 2 285.344 -1.992 20 0 CAADLO C[C@H](O)C[NH+]1CC(O)(CNC(=O)[C@H]2CCNC(=O)C2)C1 ZINC001376159981 887912372 /nfs/dbraw/zinc/91/23/72/887912372.db2.gz OCQYEHARYCKXCG-UWVGGRQHSA-N 1 2 285.344 -1.944 20 0 CAADLO O=C(NCC1(O)C[NH+](CCCO)C1)[C@@H]1COC(=O)N1 ZINC001376161681 887912452 /nfs/dbraw/zinc/91/24/52/887912452.db2.gz KUJUAVZJXOUVJK-QMMMGPOBSA-N 1 2 273.289 -2.360 20 0 CAADLO CC[NH+]1CC(O)(CNC(=O)CN2CCCS2(=O)=O)C1 ZINC001376181690 887912615 /nfs/dbraw/zinc/91/26/15/887912615.db2.gz GFWCPTAPWTYDIF-UHFFFAOYSA-N 1 2 291.373 -1.795 20 0 CAADLO Cn1ccc(CCC(=O)NCC2(O)C[NH+](CCCO)C2)n1 ZINC001376181715 887912681 /nfs/dbraw/zinc/91/26/81/887912681.db2.gz GGKJZCUNHISZNF-UHFFFAOYSA-N 1 2 296.371 -1.102 20 0 CAADLO COC[C@H](C)[NH+]1CC(O)(CNC(=O)C[C@@H]2CCNC2=O)C1 ZINC001376188043 887912709 /nfs/dbraw/zinc/91/27/09/887912709.db2.gz WBANJQYTEUOMSA-QWRGUYRKSA-N 1 2 299.371 -1.290 20 0 CAADLO CCC(=O)N[C@H](C)C(=O)NCC1(O)C[NH+](C[C@@H](C)O)C1 ZINC001376171191 887912812 /nfs/dbraw/zinc/91/28/12/887912812.db2.gz BQSSUJJXKLRDNJ-NXEZZACHSA-N 1 2 287.360 -1.555 20 0 CAADLO CC[NH+]1CC(O)(CNC(=O)Cc2ccc(C(N)=O)nc2)C1 ZINC001376190543 887912875 /nfs/dbraw/zinc/91/28/75/887912875.db2.gz FXERBVWZVMDLDL-UHFFFAOYSA-N 1 2 292.339 -1.094 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(O)(CNC(=O)c2coc(C)n2)C1 ZINC001376163318 887913180 /nfs/dbraw/zinc/91/31/80/887913180.db2.gz IUVNVQQIRDRBCC-JTQLQIEISA-N 1 2 299.327 -1.233 20 0 CAADLO COC[C@@H](C)[NH+]1CC(O)(CNC(=O)C[C@H]2CCNC2=O)C1 ZINC001376188031 887913567 /nfs/dbraw/zinc/91/35/67/887913567.db2.gz WBANJQYTEUOMSA-GHMZBOCLSA-N 1 2 299.371 -1.290 20 0 CAADLO CC(C)OCC[NH+]1CC(O)(CNC(=O)Cn2ncnn2)C1 ZINC001376171656 887913784 /nfs/dbraw/zinc/91/37/84/887913784.db2.gz YQUZFYZDKGBGGC-UHFFFAOYSA-N 1 2 298.347 -1.739 20 0 CAADLO CO[C@@H](C)C[NH+]1CC(O)(CNC(=O)[C@H]2CCC(=O)NC2)C1 ZINC001376202726 887915221 /nfs/dbraw/zinc/91/52/21/887915221.db2.gz YQXZEKISDYWPGO-QWRGUYRKSA-N 1 2 299.371 -1.290 20 0 CAADLO COc1nc(C(=O)NCC2(O)C[NH+](C[C@H](C)O)C2)co1 ZINC001376210402 887915423 /nfs/dbraw/zinc/91/54/23/887915423.db2.gz BOFNQBAGQYTCBD-QMMMGPOBSA-N 1 2 285.300 -1.160 20 0 CAADLO CN1C[C@@H](C(=O)NCC2(O)C[NH+](CCCO)C2)NC1=O ZINC001376224408 887915719 /nfs/dbraw/zinc/91/57/19/887915719.db2.gz RFDLEKMIBHXVBW-VIFPVBQESA-N 1 2 286.332 -2.445 20 0 CAADLO C[C@H](O)C[NH+]1CC(O)(CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001376232449 887915780 /nfs/dbraw/zinc/91/57/80/887915780.db2.gz OZAOBIYOWCSURC-JGVFFNPUSA-N 1 2 272.305 -2.789 20 0 CAADLO C[C@@H](O)C[NH+]1CC(O)(CNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001376232450 887916131 /nfs/dbraw/zinc/91/61/31/887916131.db2.gz OZAOBIYOWCSURC-SFYZADRCSA-N 1 2 272.305 -2.789 20 0 CAADLO CC[NH+]1CC(O)(CNC(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001376198676 887916307 /nfs/dbraw/zinc/91/63/07/887916307.db2.gz SXGSFYXJPPVWCN-UHFFFAOYSA-N 1 2 282.300 -1.868 20 0 CAADLO COc1nc(C(=O)NCC2(O)C[NH+](C[C@@H](C)O)C2)co1 ZINC001376210399 887916603 /nfs/dbraw/zinc/91/66/03/887916603.db2.gz BOFNQBAGQYTCBD-MRVPVSSYSA-N 1 2 285.300 -1.160 20 0 CAADLO CO[C@@H](C)C[NH+]1CC(O)(CNC(=O)[C@@H]2CCC(=O)NC2)C1 ZINC001376202730 887916692 /nfs/dbraw/zinc/91/66/92/887916692.db2.gz YQXZEKISDYWPGO-WDEREUQCSA-N 1 2 299.371 -1.290 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(O)(CNC(=O)c2ncccn2)C1 ZINC001376256867 887918045 /nfs/dbraw/zinc/91/80/45/887918045.db2.gz JJXCMCNABRDBJF-JTQLQIEISA-N 1 2 296.327 -1.740 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(O)(CNC(=O)c2ccnnc2)C1 ZINC001376240179 887918255 /nfs/dbraw/zinc/91/82/55/887918255.db2.gz BRBKJCHVUJTNBN-NSHDSACASA-N 1 2 296.327 -1.740 20 0 CAADLO CC[C@H](NC(C)=O)C(=O)NCC1(O)C[NH+](C[C@@H](C)O)C1 ZINC001376243151 887918516 /nfs/dbraw/zinc/91/85/16/887918516.db2.gz SFMRGLWQCWJHHT-KOLCDFICSA-N 1 2 287.360 -1.555 20 0 CAADLO COCCN1CC(O)(CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001376279429 887918685 /nfs/dbraw/zinc/91/86/85/887918685.db2.gz VECIRKMJDCVBSQ-UHFFFAOYSA-N 1 2 282.344 -1.228 20 0 CAADLO CC[C@@H](NC(C)=O)C(=O)NCC1(O)C[NH+](C[C@H](C)O)C1 ZINC001376243146 887919040 /nfs/dbraw/zinc/91/90/40/887919040.db2.gz SFMRGLWQCWJHHT-GXSJLCMTSA-N 1 2 287.360 -1.555 20 0 CAADLO O=C(CCc1cnccn1)NCC1(O)C[NH+](CCCO)C1 ZINC001376265118 887919234 /nfs/dbraw/zinc/91/92/34/887919234.db2.gz FGECHWWINGCBBQ-UHFFFAOYSA-N 1 2 294.355 -1.046 20 0 CAADLO Cn1cc(CCC(=O)NCC2(O)C[NH+](CCCO)C2)nn1 ZINC001376297015 887920887 /nfs/dbraw/zinc/92/08/87/887920887.db2.gz YWDHUUIMAWJSEX-UHFFFAOYSA-N 1 2 297.359 -1.707 20 0 CAADLO COCC(=O)N[C@]1(CO)CCC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001376444349 887926756 /nfs/dbraw/zinc/92/67/56/887926756.db2.gz SCEDMKRRCDKTAL-GXFFZTMASA-N 1 2 285.344 -1.536 20 0 CAADLO COCC(=O)N[C@]1(CO)CCC[N@H+]([C@H]2CCNC2=O)C1 ZINC001376444349 887926776 /nfs/dbraw/zinc/92/67/76/887926776.db2.gz SCEDMKRRCDKTAL-GXFFZTMASA-N 1 2 285.344 -1.536 20 0 CAADLO COCC(=O)N[C@]1(CO)CCC[N@H+](CC(=O)NC2CC2)C1 ZINC001376446458 887927685 /nfs/dbraw/zinc/92/76/85/887927685.db2.gz YMTQVFDJDJVCCS-CQSZACIVSA-N 1 2 299.371 -1.146 20 0 CAADLO COCC(=O)N[C@]1(CO)CCC[N@@H+](CC(=O)NC2CC2)C1 ZINC001376446458 887927701 /nfs/dbraw/zinc/92/77/01/887927701.db2.gz YMTQVFDJDJVCCS-CQSZACIVSA-N 1 2 299.371 -1.146 20 0 CAADLO COCC(=O)N[C@@]1(CO)CCC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001376444590 887927935 /nfs/dbraw/zinc/92/79/35/887927935.db2.gz SCEDMKRRCDKTAL-MFKMUULPSA-N 1 2 285.344 -1.536 20 0 CAADLO COCC(=O)N[C@@]1(CO)CCC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001376444590 887927942 /nfs/dbraw/zinc/92/79/42/887927942.db2.gz SCEDMKRRCDKTAL-MFKMUULPSA-N 1 2 285.344 -1.536 20 0 CAADLO CO[C@H](C)CC(=O)N[C@@]1(CO)CCC[N@H+](CC(N)=O)C1 ZINC001376450419 887929849 /nfs/dbraw/zinc/92/98/49/887929849.db2.gz HLZWHMZOQYLNSW-MFKMUULPSA-N 1 2 287.360 -1.160 20 0 CAADLO CO[C@H](C)CC(=O)N[C@@]1(CO)CCC[N@@H+](CC(N)=O)C1 ZINC001376450419 887929862 /nfs/dbraw/zinc/92/98/62/887929862.db2.gz HLZWHMZOQYLNSW-MFKMUULPSA-N 1 2 287.360 -1.160 20 0 CAADLO CO[C@H](C)CC(=O)N[C@]1(CO)CCC[N@H+](CC(N)=O)C1 ZINC001376450424 887930019 /nfs/dbraw/zinc/93/00/19/887930019.db2.gz HLZWHMZOQYLNSW-ZWNOBZJWSA-N 1 2 287.360 -1.160 20 0 CAADLO CO[C@H](C)CC(=O)N[C@]1(CO)CCC[N@@H+](CC(N)=O)C1 ZINC001376450424 887930040 /nfs/dbraw/zinc/93/00/40/887930040.db2.gz HLZWHMZOQYLNSW-ZWNOBZJWSA-N 1 2 287.360 -1.160 20 0 CAADLO CO[C@@H](C)CC(=O)N[C@]1(CO)CCC[N@H+](CC(N)=O)C1 ZINC001376450415 887930968 /nfs/dbraw/zinc/93/09/68/887930968.db2.gz HLZWHMZOQYLNSW-GXFFZTMASA-N 1 2 287.360 -1.160 20 0 CAADLO CO[C@@H](C)CC(=O)N[C@]1(CO)CCC[N@@H+](CC(N)=O)C1 ZINC001376450415 887930986 /nfs/dbraw/zinc/93/09/86/887930986.db2.gz HLZWHMZOQYLNSW-GXFFZTMASA-N 1 2 287.360 -1.160 20 0 CAADLO CC(C)(O)CC(=O)N[C@]1(CO)CCC[N@H+](CC(N)=O)C1 ZINC001376466093 887931854 /nfs/dbraw/zinc/93/18/54/887931854.db2.gz WDBGFOJEWOWZOX-CYBMUJFWSA-N 1 2 287.360 -1.424 20 0 CAADLO CC(C)(O)CC(=O)N[C@]1(CO)CCC[N@@H+](CC(N)=O)C1 ZINC001376466093 887931865 /nfs/dbraw/zinc/93/18/65/887931865.db2.gz WDBGFOJEWOWZOX-CYBMUJFWSA-N 1 2 287.360 -1.424 20 0 CAADLO O=C(Cn1cc[nH+]c1)NC[C@H](O)CNC(=O)[C@@H]1CCCO1 ZINC001376482407 887933280 /nfs/dbraw/zinc/93/32/80/887933280.db2.gz KHBGJNZEMJTNPM-QWRGUYRKSA-N 1 2 296.327 -1.345 20 0 CAADLO CO[C@@H](C)C(=O)NC[C@H](O)CNC(=O)CCc1[nH]cc[nH+]1 ZINC001376518338 887939167 /nfs/dbraw/zinc/93/91/67/887939167.db2.gz GEYCAUXYDNPFAY-VHSXEESVSA-N 1 2 298.343 -1.030 20 0 CAADLO COC[C@H](C)C(=O)NC[C@@H](O)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001376549484 887943545 /nfs/dbraw/zinc/94/35/45/887943545.db2.gz NOYMXPGZLXLQSH-UWVGGRQHSA-N 1 2 298.343 -1.172 20 0 CAADLO COC[C@H](C)C(=O)NC[C@H](O)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001376549485 887943718 /nfs/dbraw/zinc/94/37/18/887943718.db2.gz NOYMXPGZLXLQSH-VHSXEESVSA-N 1 2 298.343 -1.172 20 0 CAADLO CC[N@@H+]1CCOC[C@H]1CNC(=O)CN1CCNC(=O)C1 ZINC001376646360 887946950 /nfs/dbraw/zinc/94/69/50/887946950.db2.gz KDYJRGYCYZPEEI-LLVKDONJSA-N 1 2 284.360 -1.745 20 0 CAADLO CC[N@H+]1CCOC[C@H]1CNC(=O)CN1CCNC(=O)C1 ZINC001376646360 887946954 /nfs/dbraw/zinc/94/69/54/887946954.db2.gz KDYJRGYCYZPEEI-LLVKDONJSA-N 1 2 284.360 -1.745 20 0 CAADLO COCc1noc(C[NH2+][C@H](C)CNC(=O)CNC(C)=O)n1 ZINC001376672429 887949976 /nfs/dbraw/zinc/94/99/76/887949976.db2.gz ADCJMFDEYLGION-MRVPVSSYSA-N 1 2 299.331 -1.054 20 0 CAADLO CC(=O)NCC(=O)N[C@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001376715795 887952691 /nfs/dbraw/zinc/95/26/91/887952691.db2.gz KAHPAESOKMIATD-SECBINFHSA-N 1 2 281.316 -1.360 20 0 CAADLO C[C@H](CNC(=O)[C@H]1CNC(=O)N1)[NH2+]Cc1cnsn1 ZINC001376808482 887959679 /nfs/dbraw/zinc/95/96/79/887959679.db2.gz URSSISBSAAPECV-HTRCEHHLSA-N 1 2 284.345 -1.186 20 0 CAADLO CNS(=O)(=O)CC(=O)NC[C@@H](C)[NH2+]Cc1cnon1 ZINC001376866582 887963161 /nfs/dbraw/zinc/96/31/61/887963161.db2.gz LLYSFFJWEQMYCR-SSDOTTSWSA-N 1 2 291.333 -1.787 20 0 CAADLO NC(=O)CCCC(=O)NC[C@@H]1CCC2(C[NH+](CCO)C2)O1 ZINC001377063286 887972176 /nfs/dbraw/zinc/97/21/76/887972176.db2.gz UOTDOHOBMNWHOB-NSHDSACASA-N 1 2 299.371 -1.016 20 0 CAADLO CC(=O)N(C)CC(=O)N[C@@H]1COC2(C[NH+](CCO)C2)C1 ZINC001377075659 887973500 /nfs/dbraw/zinc/97/35/00/887973500.db2.gz QHEHCYJBBBBRAJ-NSHDSACASA-N 1 2 285.344 -1.584 20 0 CAADLO CN(C)C(=O)C[N@H+](C)CCNC(=O)CCc1nnc[nH]1 ZINC001377135581 887976619 /nfs/dbraw/zinc/97/66/19/887976619.db2.gz CQEWOVBICGZEKS-UHFFFAOYSA-N 1 2 282.348 -1.127 20 0 CAADLO CN(C)C(=O)C[N@@H+](C)CCNC(=O)CCc1nnc[nH]1 ZINC001377135581 887976622 /nfs/dbraw/zinc/97/66/22/887976622.db2.gz CQEWOVBICGZEKS-UHFFFAOYSA-N 1 2 282.348 -1.127 20 0 CAADLO COC(=O)NCC(=O)NC[C@@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001377100127 887976641 /nfs/dbraw/zinc/97/66/41/887976641.db2.gz FVKYEZYATXXVDO-SECBINFHSA-N 1 2 297.315 -1.140 20 0 CAADLO C[C@H](CNC(=O)Cn1cncn1)NC(=O)Cn1cc[nH+]c1 ZINC001377102345 887976740 /nfs/dbraw/zinc/97/67/40/887976740.db2.gz KYOBCFKRDBZMKK-SNVBAGLBSA-N 1 2 291.315 -1.204 20 0 CAADLO C[C@@H](CC(=O)NCC[N@H+](C)CC(=O)N1CCC1)NC(N)=O ZINC001377148822 887978351 /nfs/dbraw/zinc/97/83/51/887978351.db2.gz AXOYDNKOWGPJQO-JTQLQIEISA-N 1 2 299.375 -1.286 20 0 CAADLO C[C@@H](CC(=O)NCC[N@@H+](C)CC(=O)N1CCC1)NC(N)=O ZINC001377148822 887978359 /nfs/dbraw/zinc/97/83/59/887978359.db2.gz AXOYDNKOWGPJQO-JTQLQIEISA-N 1 2 299.375 -1.286 20 0 CAADLO Cc1nc(CC(=O)NCC[N@@H+](C)[C@H]2CCCNC2=O)n[nH]1 ZINC001377148685 887978429 /nfs/dbraw/zinc/97/84/29/887978429.db2.gz ILWCJWPOOSLGKU-JTQLQIEISA-N 1 2 294.359 -1.018 20 0 CAADLO Cc1nc(CC(=O)NCC[N@H+](C)[C@H]2CCCNC2=O)n[nH]1 ZINC001377148685 887978437 /nfs/dbraw/zinc/97/84/37/887978437.db2.gz ILWCJWPOOSLGKU-JTQLQIEISA-N 1 2 294.359 -1.018 20 0 CAADLO CN(C(=O)C[N@H+](C)CCNC(=O)[C@H]1COC(=O)N1)C1CC1 ZINC001377141626 887978876 /nfs/dbraw/zinc/97/88/76/887978876.db2.gz BJDUUAMNAFWOGJ-SNVBAGLBSA-N 1 2 298.343 -1.236 20 0 CAADLO CN(C(=O)C[N@@H+](C)CCNC(=O)[C@H]1COC(=O)N1)C1CC1 ZINC001377141626 887978877 /nfs/dbraw/zinc/97/88/77/887978877.db2.gz BJDUUAMNAFWOGJ-SNVBAGLBSA-N 1 2 298.343 -1.236 20 0 CAADLO Cc1nc(CC(=O)NCC[N@@H+](C)[C@@H]2CCCNC2=O)n[nH]1 ZINC001377148686 887979200 /nfs/dbraw/zinc/97/92/00/887979200.db2.gz ILWCJWPOOSLGKU-SNVBAGLBSA-N 1 2 294.359 -1.018 20 0 CAADLO Cc1nc(CC(=O)NCC[N@H+](C)[C@@H]2CCCNC2=O)n[nH]1 ZINC001377148686 887979204 /nfs/dbraw/zinc/97/92/04/887979204.db2.gz ILWCJWPOOSLGKU-SNVBAGLBSA-N 1 2 294.359 -1.018 20 0 CAADLO C[N@H+](CCNC(=O)[C@@]1(C)CCNC(=O)C1)CC(N)=O ZINC001377181280 887980382 /nfs/dbraw/zinc/98/03/82/887980382.db2.gz IXBKIKMMQUIAHT-LBPRGKRZSA-N 1 2 270.333 -1.564 20 0 CAADLO C[N@@H+](CCNC(=O)[C@@]1(C)CCNC(=O)C1)CC(N)=O ZINC001377181280 887980394 /nfs/dbraw/zinc/98/03/94/887980394.db2.gz IXBKIKMMQUIAHT-LBPRGKRZSA-N 1 2 270.333 -1.564 20 0 CAADLO CNC(=O)C[N@H+](C)CCNC(=O)CCn1ncn(C)c1=O ZINC001377194694 887980479 /nfs/dbraw/zinc/98/04/79/887980479.db2.gz AOJLBEVOJZFNFB-UHFFFAOYSA-N 1 2 298.347 -2.234 20 0 CAADLO CNC(=O)C[N@@H+](C)CCNC(=O)CCn1ncn(C)c1=O ZINC001377194694 887980497 /nfs/dbraw/zinc/98/04/97/887980497.db2.gz AOJLBEVOJZFNFB-UHFFFAOYSA-N 1 2 298.347 -2.234 20 0 CAADLO Cn1nnc(C(=O)NCC[N@H+](C)Cc2nc(=O)n(C)[nH]2)n1 ZINC001377209999 887980738 /nfs/dbraw/zinc/98/07/38/887980738.db2.gz CCPFXPFRYOSYPW-UHFFFAOYSA-N 1 2 295.307 -2.506 20 0 CAADLO Cn1nnc(C(=O)NCC[N@@H+](C)Cc2nc(=O)n(C)[nH]2)n1 ZINC001377209999 887980750 /nfs/dbraw/zinc/98/07/50/887980750.db2.gz CCPFXPFRYOSYPW-UHFFFAOYSA-N 1 2 295.307 -2.506 20 0 CAADLO C[N@H+](CCNC(=O)[C@@H]1CCc2nncn2CC1)CC(N)=O ZINC001377196822 887982781 /nfs/dbraw/zinc/98/27/81/887982781.db2.gz DDOPYWZCZZINAC-SNVBAGLBSA-N 1 2 294.359 -1.236 20 0 CAADLO C[N@@H+](CCNC(=O)[C@@H]1CCc2nncn2CC1)CC(N)=O ZINC001377196822 887982790 /nfs/dbraw/zinc/98/27/90/887982790.db2.gz DDOPYWZCZZINAC-SNVBAGLBSA-N 1 2 294.359 -1.236 20 0 CAADLO CNC(=O)C[N@H+](C)CCNC(=O)CN1CCCNC1=O ZINC001377187868 887982809 /nfs/dbraw/zinc/98/28/09/887982809.db2.gz GPGSBSNATCPESI-UHFFFAOYSA-N 1 2 285.348 -1.804 20 0 CAADLO CNC(=O)C[N@@H+](C)CCNC(=O)CN1CCCNC1=O ZINC001377187868 887982816 /nfs/dbraw/zinc/98/28/16/887982816.db2.gz GPGSBSNATCPESI-UHFFFAOYSA-N 1 2 285.348 -1.804 20 0 CAADLO CN(C)C(=O)C[N@H+](C)CCNC(=O)[C@H]1CCN(C)C(=O)C1 ZINC001377182500 887982829 /nfs/dbraw/zinc/98/28/29/887982829.db2.gz RXRAYCRGCPITLB-NSHDSACASA-N 1 2 298.387 -1.009 20 0 CAADLO CN(C)C(=O)C[N@@H+](C)CCNC(=O)[C@H]1CCN(C)C(=O)C1 ZINC001377182500 887982835 /nfs/dbraw/zinc/98/28/35/887982835.db2.gz RXRAYCRGCPITLB-NSHDSACASA-N 1 2 298.387 -1.009 20 0 CAADLO CN(C)C(=O)C[N@H+](C)CCNC(=O)c1ccc(C(N)=O)[nH]1 ZINC001377224516 887982907 /nfs/dbraw/zinc/98/29/07/887982907.db2.gz XKPPENMEBAICOL-UHFFFAOYSA-N 1 2 295.343 -1.137 20 0 CAADLO CN(C)C(=O)C[N@@H+](C)CCNC(=O)c1ccc(C(N)=O)[nH]1 ZINC001377224516 887982912 /nfs/dbraw/zinc/98/29/12/887982912.db2.gz XKPPENMEBAICOL-UHFFFAOYSA-N 1 2 295.343 -1.137 20 0 CAADLO C[N@H+](CCNC(=O)c1ccoc1CC(N)=O)CC(N)=O ZINC001377214813 887983359 /nfs/dbraw/zinc/98/33/59/887983359.db2.gz JAORWOVKMDLBQC-UHFFFAOYSA-N 1 2 282.300 -1.546 20 0 CAADLO C[N@@H+](CCNC(=O)c1ccoc1CC(N)=O)CC(N)=O ZINC001377214813 887983363 /nfs/dbraw/zinc/98/33/63/887983363.db2.gz JAORWOVKMDLBQC-UHFFFAOYSA-N 1 2 282.300 -1.546 20 0 CAADLO C[N@H+](CCNC(=O)COC[C@@H]1CCCO1)CC(N)=O ZINC001377272923 887986030 /nfs/dbraw/zinc/98/60/30/887986030.db2.gz HXZMKYLLOPZQQS-JTQLQIEISA-N 1 2 273.333 -1.285 20 0 CAADLO C[N@@H+](CCNC(=O)COC[C@@H]1CCCO1)CC(N)=O ZINC001377272923 887986042 /nfs/dbraw/zinc/98/60/42/887986042.db2.gz HXZMKYLLOPZQQS-JTQLQIEISA-N 1 2 273.333 -1.285 20 0 CAADLO CN(C)C(=O)C[N@H+](C)CCNC(=O)[C@@H]1CCC(=O)N1 ZINC001377247958 887986069 /nfs/dbraw/zinc/98/60/69/887986069.db2.gz QANHCLDJOILROC-VIFPVBQESA-N 1 2 270.333 -1.599 20 0 CAADLO CN(C)C(=O)C[N@@H+](C)CCNC(=O)[C@@H]1CCC(=O)N1 ZINC001377247958 887986080 /nfs/dbraw/zinc/98/60/80/887986080.db2.gz QANHCLDJOILROC-VIFPVBQESA-N 1 2 270.333 -1.599 20 0 CAADLO CN(C)C(=O)C[N@H+](C)CCNC(=O)C[C@H]1CCC(=O)N1 ZINC001377231956 887986261 /nfs/dbraw/zinc/98/62/61/887986261.db2.gz HSYKQEFUAKUTON-SNVBAGLBSA-N 1 2 284.360 -1.209 20 0 CAADLO CN(C)C(=O)C[N@@H+](C)CCNC(=O)C[C@H]1CCC(=O)N1 ZINC001377231956 887986272 /nfs/dbraw/zinc/98/62/72/887986272.db2.gz HSYKQEFUAKUTON-SNVBAGLBSA-N 1 2 284.360 -1.209 20 0 CAADLO C[N@H+](CCNC(=O)C[C@H]1CCC(=O)N1)CC(=O)N1CCC1 ZINC001377231508 887987069 /nfs/dbraw/zinc/98/70/69/887987069.db2.gz AWPOBJXZXFWXSV-LLVKDONJSA-N 1 2 296.371 -1.065 20 0 CAADLO C[N@@H+](CCNC(=O)C[C@H]1CCC(=O)N1)CC(=O)N1CCC1 ZINC001377231508 887987089 /nfs/dbraw/zinc/98/70/89/887987089.db2.gz AWPOBJXZXFWXSV-LLVKDONJSA-N 1 2 296.371 -1.065 20 0 CAADLO CC(C)c1nnnn1CC(=O)NCC[N@@H+](C)CC(N)=O ZINC001377226254 887987848 /nfs/dbraw/zinc/98/78/48/887987848.db2.gz MDZOIJWPEFHBTR-UHFFFAOYSA-N 1 2 283.336 -1.670 20 0 CAADLO CC(C)c1nnnn1CC(=O)NCC[N@H+](C)CC(N)=O ZINC001377226254 887987839 /nfs/dbraw/zinc/98/78/39/887987839.db2.gz MDZOIJWPEFHBTR-UHFFFAOYSA-N 1 2 283.336 -1.670 20 0 CAADLO C[C@H](CNC(=O)Cc1[nH]cc[nH+]1)NC(=O)[C@@H]1CNC(=O)N1 ZINC001377277543 887989202 /nfs/dbraw/zinc/98/92/02/887989202.db2.gz HTBPMKFURUMDSR-SFYZADRCSA-N 1 2 294.315 -1.746 20 0 CAADLO NC(=O)C[NH+]1CCC(CO)(NC(=O)C2=COCCO2)CC1 ZINC001377543302 888002187 /nfs/dbraw/zinc/00/21/87/888002187.db2.gz SJXWPMRIIJERNB-UHFFFAOYSA-N 1 2 299.327 -1.697 20 0 CAADLO NC(=O)C[NH+]1CCC(CO)(NC(=O)C[C@@H]2CCCO2)CC1 ZINC001377547532 888002305 /nfs/dbraw/zinc/00/23/05/888002305.db2.gz GJKLDBXTBHHTNK-NSHDSACASA-N 1 2 299.371 -1.016 20 0 CAADLO NC(=O)C[N@H+](CCNC(=O)CCc1nnc[nH]1)C1CC1 ZINC001377516348 888002688 /nfs/dbraw/zinc/00/26/88/888002688.db2.gz IXGIAFHQZFTBLX-UHFFFAOYSA-N 1 2 280.332 -1.197 20 0 CAADLO NC(=O)C[N@@H+](CCNC(=O)CCc1nnc[nH]1)C1CC1 ZINC001377516348 888002694 /nfs/dbraw/zinc/00/26/94/888002694.db2.gz IXGIAFHQZFTBLX-UHFFFAOYSA-N 1 2 280.332 -1.197 20 0 CAADLO NC(=O)CCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC(N)=O ZINC001377635879 888007823 /nfs/dbraw/zinc/00/78/23/888007823.db2.gz HLQSLEPFOAVVEJ-AOOOYVTPSA-N 1 2 282.344 -1.198 20 0 CAADLO NC(=O)CCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(N)=O ZINC001377635879 888007833 /nfs/dbraw/zinc/00/78/33/888007833.db2.gz HLQSLEPFOAVVEJ-AOOOYVTPSA-N 1 2 282.344 -1.198 20 0 CAADLO CC(=O)NCC(=O)N[C@H]1CCC[N@H+](CC(=O)NC(N)=O)C1 ZINC001377836310 888010768 /nfs/dbraw/zinc/01/07/68/888010768.db2.gz OVBPVHCJKDNYCX-VIFPVBQESA-N 1 2 299.331 -2.102 20 0 CAADLO CC(=O)NCC(=O)N[C@H]1CCC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001377836310 888010774 /nfs/dbraw/zinc/01/07/74/888010774.db2.gz OVBPVHCJKDNYCX-VIFPVBQESA-N 1 2 299.331 -2.102 20 0 CAADLO C[C@@H](CNC(=O)CCNC(N)=O)NC(=O)Cn1cc[nH+]c1 ZINC001377767652 888011085 /nfs/dbraw/zinc/01/10/85/888011085.db2.gz BYUWPRUDAOTOPP-VIFPVBQESA-N 1 2 296.331 -1.438 20 0 CAADLO NC(=O)CCCC(=O)N[C@@H]1CCC[N@H+](CC(N)=O)C1 ZINC001377831807 888011823 /nfs/dbraw/zinc/01/18/23/888011823.db2.gz WBNSGVMFZZVUEH-SECBINFHSA-N 1 2 270.333 -1.292 20 0 CAADLO NC(=O)CCCC(=O)N[C@@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001377831807 888011834 /nfs/dbraw/zinc/01/18/34/888011834.db2.gz WBNSGVMFZZVUEH-SECBINFHSA-N 1 2 270.333 -1.292 20 0 CAADLO CC(=O)N[C@@H](C)C(=O)N[C@@H]1CCC[N@H+](CC(N)=O)C1 ZINC001377809665 888012703 /nfs/dbraw/zinc/01/27/03/888012703.db2.gz NMLCKMNVYLSZBV-WCBMZHEXSA-N 1 2 270.333 -1.423 20 0 CAADLO CC(=O)N[C@@H](C)C(=O)N[C@@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001377809665 888012717 /nfs/dbraw/zinc/01/27/17/888012717.db2.gz NMLCKMNVYLSZBV-WCBMZHEXSA-N 1 2 270.333 -1.423 20 0 CAADLO CC[C@H](NC(C)=O)C(=O)N[C@H]1CCC[N@H+](CC(N)=O)C1 ZINC001377847990 888014909 /nfs/dbraw/zinc/01/49/09/888014909.db2.gz HJRHTRQJOYVRFI-QWRGUYRKSA-N 1 2 284.360 -1.033 20 0 CAADLO CC[C@H](NC(C)=O)C(=O)N[C@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001377847990 888014918 /nfs/dbraw/zinc/01/49/18/888014918.db2.gz HJRHTRQJOYVRFI-QWRGUYRKSA-N 1 2 284.360 -1.033 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(NC(=O)c2nnn(C)c2C)C1 ZINC001377872931 888016750 /nfs/dbraw/zinc/01/67/50/888016750.db2.gz OKRZTFZUKJDXLF-JTQLQIEISA-N 1 2 283.332 -1.455 20 0 CAADLO COC[C@H](O)C[NH+]1CC(NC(=O)C[C@@H](C)NC(N)=O)C1 ZINC001377876385 888015319 /nfs/dbraw/zinc/01/53/19/888015319.db2.gz BNAVDVRDXZVLNK-PSASIEDQSA-N 1 2 288.348 -1.759 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(NC(=O)CN2CCCC2=O)C1 ZINC001377863037 888015374 /nfs/dbraw/zinc/01/53/74/888015374.db2.gz UWFGPIKUOCLJDA-NSHDSACASA-N 1 2 285.344 -1.584 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(NC(=O)c2nccnc2N)C1 ZINC001377868659 888015529 /nfs/dbraw/zinc/01/55/29/888015529.db2.gz FHPYQJJQDPPGQR-VIFPVBQESA-N 1 2 281.316 -1.520 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(NC(=O)c2ccnc(OC)n2)C1 ZINC001377899308 888017769 /nfs/dbraw/zinc/01/77/69/888017769.db2.gz LCOJRPMSABGPGQ-JTQLQIEISA-N 1 2 296.327 -1.094 20 0 CAADLO COC[C@H](O)C[NH+]1CC(NC(=O)[C@@H]2CCC(=O)NC2)C1 ZINC001377898211 888019583 /nfs/dbraw/zinc/01/95/83/888019583.db2.gz PHCAENDNGMVGPW-MWLCHTKSSA-N 1 2 285.344 -1.680 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(NC(=O)[C@@H]2CCC(=O)NC2)C1 ZINC001377898206 888018436 /nfs/dbraw/zinc/01/84/36/888018436.db2.gz PHCAENDNGMVGPW-KOLCDFICSA-N 1 2 285.344 -1.680 20 0 CAADLO NC(=O)NC(=O)C[NH+]1CC(CNC(=O)[C@H]2CCCO2)C1 ZINC001377955701 888020732 /nfs/dbraw/zinc/02/07/32/888020732.db2.gz NQRAJTDARIPMQY-SECBINFHSA-N 1 2 284.316 -1.592 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(NC(=O)c2ccc(=O)n(C)c2)C1 ZINC001377896068 888019038 /nfs/dbraw/zinc/01/90/38/888019038.db2.gz KDTCQNJBDWQQBU-LBPRGKRZSA-N 1 2 295.339 -1.193 20 0 CAADLO COC[C@H](O)C[NH+]1CC(NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001377921378 888021663 /nfs/dbraw/zinc/02/16/63/888021663.db2.gz FPWXXTSYRJPEMB-RKDXNWHRSA-N 1 2 272.305 -2.525 20 0 CAADLO CNC(=O)CN1CC(NC(=O)CCc2[nH+]ccn2C)C1 ZINC001377906929 888019520 /nfs/dbraw/zinc/01/95/20/888019520.db2.gz QUQGDZCCSVBAEP-UHFFFAOYSA-N 1 2 279.344 -1.101 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(NC(=O)[C@@H]2CCCC(=O)N2C)C1 ZINC001377937851 888020509 /nfs/dbraw/zinc/02/05/09/888020509.db2.gz NXNWNIYNPKTPFB-RYUDHWBXSA-N 1 2 299.371 -1.195 20 0 CAADLO C[C@H](O)C[NH+]1CC(NC(=O)COCc2nncn2C)C1 ZINC001377924946 888020565 /nfs/dbraw/zinc/02/05/65/888020565.db2.gz ATQOTRFOVTVBCK-VIFPVBQESA-N 1 2 283.332 -1.487 20 0 CAADLO C[C@@H](CNC(=O)[C@@H]1CNC(=O)N1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001377938211 888020856 /nfs/dbraw/zinc/02/08/56/888020856.db2.gz GBBUONQOTNBOPG-YUMQZZPRSA-N 1 2 294.315 -1.746 20 0 CAADLO COC[C@H](O)C[NH+]1CC(NC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001377935387 888021202 /nfs/dbraw/zinc/02/12/02/888021202.db2.gz JEQPGSGIHPXGLY-ZJUUUORDSA-N 1 2 271.317 -1.927 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(NC(=O)c2cccn(C)c2=O)C1 ZINC001377934916 888021468 /nfs/dbraw/zinc/02/14/68/888021468.db2.gz IVNSMFYCFYZFHI-NSHDSACASA-N 1 2 295.339 -1.193 20 0 CAADLO COCC(=O)NCC1C[NH+]([C@H](C)C(=O)NC(N)=O)C1 ZINC001377951321 888021571 /nfs/dbraw/zinc/02/15/71/888021571.db2.gz NQQJZERTUULXGN-SSDOTTSWSA-N 1 2 272.305 -1.736 20 0 CAADLO COC[C@H](O)C[NH+]1CC(NC(=O)c2cccn(C)c2=O)C1 ZINC001377934911 888021715 /nfs/dbraw/zinc/02/17/15/888021715.db2.gz IVNSMFYCFYZFHI-LLVKDONJSA-N 1 2 295.339 -1.193 20 0 CAADLO O=C(CNC(=O)NCc1ccco1)NC1C[NH+](CCO)C1 ZINC001377947204 888021738 /nfs/dbraw/zinc/02/17/38/888021738.db2.gz QKAVFVXIYFCVGF-UHFFFAOYSA-N 1 2 296.327 -1.129 20 0 CAADLO NC(=O)c1ccc(OCC(=O)NC2C[NH+](CCO)C2)cc1 ZINC001377938747 888021796 /nfs/dbraw/zinc/02/17/96/888021796.db2.gz BSUWWFKMFVBKHY-UHFFFAOYSA-N 1 2 293.323 -1.043 20 0 CAADLO COCC(=O)NCC1C[NH+]([C@@H](C)C(=O)NC(N)=O)C1 ZINC001377951339 888022853 /nfs/dbraw/zinc/02/28/53/888022853.db2.gz NQQJZERTUULXGN-ZETCQYMHSA-N 1 2 272.305 -1.736 20 0 CAADLO Cn1ccc(C(=O)NCC2C[NH+](CC(=O)NC(N)=O)C2)c1 ZINC001377957272 888022873 /nfs/dbraw/zinc/02/28/73/888022873.db2.gz DQRSWBVBUNPPGS-UHFFFAOYSA-N 1 2 293.327 -1.118 20 0 CAADLO CCn1nncc1C[NH+]1CC(CNC(=O)CNC(C)=O)C1 ZINC001377956297 888022889 /nfs/dbraw/zinc/02/28/89/888022889.db2.gz RQNPRVQRYVPJRT-UHFFFAOYSA-N 1 2 294.359 -1.018 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(NC(=O)Cn2ccccc2=O)C1 ZINC001377932780 888023040 /nfs/dbraw/zinc/02/30/40/888023040.db2.gz NJKLPAGUJDZGLK-LBPRGKRZSA-N 1 2 295.339 -1.344 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(NC(=O)[C@H]2CC[C@@H](C(N)=O)C2)C1 ZINC001377964347 888023820 /nfs/dbraw/zinc/02/38/20/888023820.db2.gz XYBMUGMUJGNJCY-SCVCMEIPSA-N 1 2 299.371 -1.304 20 0 CAADLO O=C(CC1CS(=O)(=O)C1)NCC1C[NH+](CCCO)C1 ZINC001377984464 888024013 /nfs/dbraw/zinc/02/40/13/888024013.db2.gz NPORTYCEXUGJNU-UHFFFAOYSA-N 1 2 290.385 -1.149 20 0 CAADLO C[C@H](O)C[NH+]1CC(CNC(=O)CC2CS(=O)(=O)C2)C1 ZINC001377984124 888024637 /nfs/dbraw/zinc/02/46/37/888024637.db2.gz NBGOHXFQWTYLDN-VIFPVBQESA-N 1 2 290.385 -1.150 20 0 CAADLO C[C@@H](O)C[NH+]1CC(CNC(=O)CC2CS(=O)(=O)C2)C1 ZINC001377984116 888024659 /nfs/dbraw/zinc/02/46/59/888024659.db2.gz NBGOHXFQWTYLDN-SECBINFHSA-N 1 2 290.385 -1.150 20 0 CAADLO NC(=O)NC(=O)C[NH+]1CC(CNC(=O)c2ccn[nH]2)C1 ZINC001377959668 888024766 /nfs/dbraw/zinc/02/47/66/888024766.db2.gz ALTUXEDOIYFXEM-UHFFFAOYSA-N 1 2 280.288 -1.734 20 0 CAADLO C[C@H](CC(N)=O)C(=O)NCC1C[NH+]([C@H](C)C(N)=O)C1 ZINC001377989482 888024795 /nfs/dbraw/zinc/02/47/95/888024795.db2.gz ZIQXPQLXCCELJP-HTQZYQBOSA-N 1 2 270.333 -1.580 20 0 CAADLO CNC(=O)C[NH+]1CC(CNC(=O)Cc2ccn(C)n2)C1 ZINC001377971312 888024904 /nfs/dbraw/zinc/02/49/04/888024904.db2.gz MAILZUSVYVBOTL-UHFFFAOYSA-N 1 2 279.344 -1.243 20 0 CAADLO C[C@@H](C(N)=O)[NH+]1CC(CNC(=O)CN2CCCCC2=O)C1 ZINC001377986623 888025057 /nfs/dbraw/zinc/02/50/57/888025057.db2.gz UJEDQTBEFMJLBK-JTQLQIEISA-N 1 2 296.371 -1.079 20 0 CAADLO CC(C)NC(=O)C[NH+]1CC(CNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001377985427 888025318 /nfs/dbraw/zinc/02/53/18/888025318.db2.gz ONJPQWFTQZBTKO-JTQLQIEISA-N 1 2 297.359 -1.760 20 0 CAADLO CC[C@H](NC(C)=O)C(=O)NCC1C[NH+](CC(=O)NC)C1 ZINC001377997522 888025808 /nfs/dbraw/zinc/02/58/08/888025808.db2.gz SMTARZAJBJVLSP-NSHDSACASA-N 1 2 284.360 -1.305 20 0 CAADLO C[C@H](C(N)=O)[NH+]1CC(CNC(=O)CN2CCCCC2=O)C1 ZINC001377986627 888026118 /nfs/dbraw/zinc/02/61/18/888026118.db2.gz UJEDQTBEFMJLBK-SNVBAGLBSA-N 1 2 296.371 -1.079 20 0 CAADLO C[C@@H](CC(=O)NCC1C[NH+]([C@H]2CCNC2=O)C1)NC(N)=O ZINC001377971477 888026236 /nfs/dbraw/zinc/02/62/36/888026236.db2.gz MZUPOLUBTZHSTM-WPRPVWTQSA-N 1 2 297.359 -1.630 20 0 CAADLO CN(CC(=O)NCC1C[NH+](CC(N)=O)C1)C(=O)C1CC1 ZINC001377974484 888026406 /nfs/dbraw/zinc/02/64/06/888026406.db2.gz UKSHWWZKSAQHNY-UHFFFAOYSA-N 1 2 282.344 -1.612 20 0 CAADLO C[C@@H](CNC(=O)C1CC1)[N@H+](C)CC(=O)N1CCNC(=O)C1 ZINC001377975598 888026436 /nfs/dbraw/zinc/02/64/36/888026436.db2.gz AMWLXUMIEALQOR-JTQLQIEISA-N 1 2 296.371 -1.209 20 0 CAADLO C[C@@H](CNC(=O)C1CC1)[N@@H+](C)CC(=O)N1CCNC(=O)C1 ZINC001377975598 888026444 /nfs/dbraw/zinc/02/64/44/888026444.db2.gz AMWLXUMIEALQOR-JTQLQIEISA-N 1 2 296.371 -1.209 20 0 CAADLO CC(=O)NCC(=O)NC[C@@H](C)[N@H+](C)Cc1cnnn1C ZINC001377992570 888026594 /nfs/dbraw/zinc/02/65/94/888026594.db2.gz SUIOPUVXDLCEGO-SECBINFHSA-N 1 2 282.348 -1.112 20 0 CAADLO CC(=O)NCC(=O)NC[C@@H](C)[N@@H+](C)Cc1cnnn1C ZINC001377992570 888026603 /nfs/dbraw/zinc/02/66/03/888026603.db2.gz SUIOPUVXDLCEGO-SECBINFHSA-N 1 2 282.348 -1.112 20 0 CAADLO COC[C@H](C)C(=O)NCC1C[NH+](CC(=O)NC(N)=O)C1 ZINC001377962197 888026656 /nfs/dbraw/zinc/02/66/56/888026656.db2.gz ZSALIXORSAKVMT-QMMMGPOBSA-N 1 2 286.332 -1.488 20 0 CAADLO NC(=O)C[NH+]1CC(CNC(=O)C[C@H]2CCCC(=O)N2)C1 ZINC001377981192 888026745 /nfs/dbraw/zinc/02/67/45/888026745.db2.gz DVXGFLPOVWYZFV-SNVBAGLBSA-N 1 2 282.344 -1.422 20 0 CAADLO COC[C@H](O)C[NH+]1CC(NC(=O)[C@H]2CC[C@@H](C(N)=O)C2)C1 ZINC001377964345 888027148 /nfs/dbraw/zinc/02/71/48/888027148.db2.gz XYBMUGMUJGNJCY-JFGNBEQYSA-N 1 2 299.371 -1.304 20 0 CAADLO CNC(=O)C[NH+]1CC(CNC(=O)CCc2nnc[nH]2)C1 ZINC001377960466 888027189 /nfs/dbraw/zinc/02/71/89/888027189.db2.gz VDXYCMYPOCDURW-UHFFFAOYSA-N 1 2 280.332 -1.469 20 0 CAADLO CCOCC(=O)N[C@H]1CC[N@H+](CC(=O)NC(=O)NC)C1 ZINC001378047507 888028954 /nfs/dbraw/zinc/02/89/54/888028954.db2.gz RPANNIOOTKEYQP-VIFPVBQESA-N 1 2 286.332 -1.331 20 0 CAADLO CCOCC(=O)N[C@H]1CC[N@@H+](CC(=O)NC(=O)NC)C1 ZINC001378047507 888028965 /nfs/dbraw/zinc/02/89/65/888028965.db2.gz RPANNIOOTKEYQP-VIFPVBQESA-N 1 2 286.332 -1.331 20 0 CAADLO Cn1cncc1CC(=O)NCC1C[NH+]([C@H]2CCNC2=O)C1 ZINC001378019769 888029291 /nfs/dbraw/zinc/02/92/91/888029291.db2.gz WLEZOUXJIFAEPV-LBPRGKRZSA-N 1 2 291.355 -1.101 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)NC(N)=O ZINC001378030004 888030126 /nfs/dbraw/zinc/03/01/26/888030126.db2.gz UTVDOXMBOYFCJC-JXUBOQSCSA-N 1 2 297.359 -1.537 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)NC(N)=O ZINC001378030004 888030150 /nfs/dbraw/zinc/03/01/50/888030150.db2.gz UTVDOXMBOYFCJC-JXUBOQSCSA-N 1 2 297.359 -1.537 20 0 CAADLO Cc1nc[nH]c1C(=O)NCC1C[NH+](CC(=O)NC(N)=O)C1 ZINC001378028337 888030828 /nfs/dbraw/zinc/03/08/28/888030828.db2.gz XNEOMPIWXAAVRT-UHFFFAOYSA-N 1 2 294.315 -1.425 20 0 CAADLO COC(=O)NCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC(=O)N(C)C ZINC001378024091 888031150 /nfs/dbraw/zinc/03/11/50/888031150.db2.gz JVVFTWBACHUSTK-UWVGGRQHSA-N 1 2 298.343 -1.284 20 0 CAADLO COC(=O)NCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC(=O)N(C)C ZINC001378024091 888031161 /nfs/dbraw/zinc/03/11/61/888031161.db2.gz JVVFTWBACHUSTK-UWVGGRQHSA-N 1 2 298.343 -1.284 20 0 CAADLO O=C(Cc1nc[nH]n1)NCC1C[NH+](CC(=O)N2CCC2)C1 ZINC001378019125 888031320 /nfs/dbraw/zinc/03/13/20/888031320.db2.gz UUKILXCWPGAPKD-UHFFFAOYSA-N 1 2 292.343 -1.373 20 0 CAADLO C[C@@H](CNC(=O)Cn1ncnn1)[N@H+](C)Cc1cnnn1C ZINC001378039172 888031721 /nfs/dbraw/zinc/03/17/21/888031721.db2.gz DOMJGRVDFGFPRN-VIFPVBQESA-N 1 2 293.335 -1.562 20 0 CAADLO C[C@@H](CNC(=O)Cn1ncnn1)[N@@H+](C)Cc1cnnn1C ZINC001378039172 888031731 /nfs/dbraw/zinc/03/17/31/888031731.db2.gz DOMJGRVDFGFPRN-VIFPVBQESA-N 1 2 293.335 -1.562 20 0 CAADLO CC(=O)NCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2[C@@H]1CCN(C)C1=O ZINC001378025220 888031853 /nfs/dbraw/zinc/03/18/53/888031853.db2.gz INYCALVZLPPHLH-SDDRHHMPSA-N 1 2 294.355 -1.362 20 0 CAADLO CC(=O)NCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@@H]1CCN(C)C1=O ZINC001378025220 888031863 /nfs/dbraw/zinc/03/18/63/888031863.db2.gz INYCALVZLPPHLH-SDDRHHMPSA-N 1 2 294.355 -1.362 20 0 CAADLO CC(=O)NC(C)(C)C(=O)NCC1C[NH+]([C@@H]2CCNC2=O)C1 ZINC001378009537 888031890 /nfs/dbraw/zinc/03/18/90/888031890.db2.gz XHURAGTUGXGOFF-LLVKDONJSA-N 1 2 296.371 -1.162 20 0 CAADLO NC(=O)NC(=O)C[NH+]1CC(CNC(=O)c2ncccn2)C1 ZINC001378004867 888031965 /nfs/dbraw/zinc/03/19/65/888031965.db2.gz JVVYSJGCJSBIQI-UHFFFAOYSA-N 1 2 292.299 -1.667 20 0 CAADLO Cn1cncc1CC(=O)NCC1C[NH+]([C@@H]2CCNC2=O)C1 ZINC001378019767 888031985 /nfs/dbraw/zinc/03/19/85/888031985.db2.gz WLEZOUXJIFAEPV-GFCCVEGCSA-N 1 2 291.355 -1.101 20 0 CAADLO Cc1c[nH]c(C(=O)N[C@H]2CC[N@H+](CC(=O)NC(N)=O)C2)n1 ZINC001378073220 888032914 /nfs/dbraw/zinc/03/29/14/888032914.db2.gz BHGMOAMTXDYDDN-QMMMGPOBSA-N 1 2 294.315 -1.283 20 0 CAADLO Cc1c[nH]c(C(=O)N[C@H]2CC[N@@H+](CC(=O)NC(N)=O)C2)n1 ZINC001378073220 888032924 /nfs/dbraw/zinc/03/29/24/888032924.db2.gz BHGMOAMTXDYDDN-QMMMGPOBSA-N 1 2 294.315 -1.283 20 0 CAADLO CO[C@H](C(=O)N[C@@H]1CC[N@H+](CC(=O)NC(N)=O)C1)C1CC1 ZINC001378105843 888034151 /nfs/dbraw/zinc/03/41/51/888034151.db2.gz HKROLTBBJVRPDK-KOLCDFICSA-N 1 2 298.343 -1.203 20 0 CAADLO CO[C@H](C(=O)N[C@@H]1CC[N@@H+](CC(=O)NC(N)=O)C1)C1CC1 ZINC001378105843 888034161 /nfs/dbraw/zinc/03/41/61/888034161.db2.gz HKROLTBBJVRPDK-KOLCDFICSA-N 1 2 298.343 -1.203 20 0 CAADLO CCC(=O)N[C@@H](C)C(=O)N[C@@H]1CC[N@H+](CC(=O)NC)C1 ZINC001378108824 888034787 /nfs/dbraw/zinc/03/47/87/888034787.db2.gz SQGMJCZRQMYZDT-VHSXEESVSA-N 1 2 284.360 -1.162 20 0 CAADLO CCC(=O)N[C@@H](C)C(=O)N[C@@H]1CC[N@@H+](CC(=O)NC)C1 ZINC001378108824 888034797 /nfs/dbraw/zinc/03/47/97/888034797.db2.gz SQGMJCZRQMYZDT-VHSXEESVSA-N 1 2 284.360 -1.162 20 0 CAADLO COCC(=O)N(C)CC(=O)N[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001378059195 888034812 /nfs/dbraw/zinc/03/48/12/888034812.db2.gz UNCXJAOCJKBWME-VIFPVBQESA-N 1 2 286.332 -2.233 20 0 CAADLO COCC(=O)N(C)CC(=O)N[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001378059195 888034818 /nfs/dbraw/zinc/03/48/18/888034818.db2.gz UNCXJAOCJKBWME-VIFPVBQESA-N 1 2 286.332 -2.233 20 0 CAADLO CO[C@@H](C(=O)N[C@H]1CC[N@H+](CC(=O)NC(N)=O)C1)C1CC1 ZINC001378059406 888036615 /nfs/dbraw/zinc/03/66/15/888036615.db2.gz HKROLTBBJVRPDK-GXSJLCMTSA-N 1 2 298.343 -1.203 20 0 CAADLO CO[C@@H](C(=O)N[C@H]1CC[N@@H+](CC(=O)NC(N)=O)C1)C1CC1 ZINC001378059406 888036630 /nfs/dbraw/zinc/03/66/30/888036630.db2.gz HKROLTBBJVRPDK-GXSJLCMTSA-N 1 2 298.343 -1.203 20 0 CAADLO CC[C@@H](NC(C)=O)C(=O)N[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001378121018 888038063 /nfs/dbraw/zinc/03/80/63/888038063.db2.gz GVKPMAMRIDQDOS-NXEZZACHSA-N 1 2 270.333 -1.423 20 0 CAADLO CC[C@@H](NC(C)=O)C(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001378121018 888038075 /nfs/dbraw/zinc/03/80/75/888038075.db2.gz GVKPMAMRIDQDOS-NXEZZACHSA-N 1 2 270.333 -1.423 20 0 CAADLO C[C@H](CC(N)=O)C(=O)N[C@@H]1CC[N@H+](CC(=O)NC2CC2)C1 ZINC001378113946 888038518 /nfs/dbraw/zinc/03/85/18/888038518.db2.gz JGYCCSNEEIHYQD-MWLCHTKSSA-N 1 2 296.371 -1.033 20 0 CAADLO C[C@H](CC(N)=O)C(=O)N[C@@H]1CC[N@@H+](CC(=O)NC2CC2)C1 ZINC001378113946 888038528 /nfs/dbraw/zinc/03/85/28/888038528.db2.gz JGYCCSNEEIHYQD-MWLCHTKSSA-N 1 2 296.371 -1.033 20 0 CAADLO C[C@@H](CC(N)=O)C(=O)N[C@@H]1CC[N@H+](CC(=O)NC2CC2)C1 ZINC001378113944 888040248 /nfs/dbraw/zinc/04/02/48/888040248.db2.gz JGYCCSNEEIHYQD-GXSJLCMTSA-N 1 2 296.371 -1.033 20 0 CAADLO C[C@@H](CC(N)=O)C(=O)N[C@@H]1CC[N@@H+](CC(=O)NC2CC2)C1 ZINC001378113944 888040259 /nfs/dbraw/zinc/04/02/59/888040259.db2.gz JGYCCSNEEIHYQD-GXSJLCMTSA-N 1 2 296.371 -1.033 20 0 CAADLO C[C@H](CNC(=O)[C@H]1C[C@H]1C(N)=O)[N@H+](C)Cc1cnnn1C ZINC001378148822 888040337 /nfs/dbraw/zinc/04/03/37/888040337.db2.gz WEEWSVAUIUQWLG-IEBDPFPHSA-N 1 2 294.359 -1.127 20 0 CAADLO C[C@H](CNC(=O)[C@H]1C[C@H]1C(N)=O)[N@@H+](C)Cc1cnnn1C ZINC001378148822 888040349 /nfs/dbraw/zinc/04/03/49/888040349.db2.gz WEEWSVAUIUQWLG-IEBDPFPHSA-N 1 2 294.359 -1.127 20 0 CAADLO Cn1ccc(C(=O)N[C@@H]2CC[N@H+](CC(=O)NC(N)=O)C2)n1 ZINC001378138562 888040664 /nfs/dbraw/zinc/04/06/64/888040664.db2.gz ALIMNPIANMTAJG-MRVPVSSYSA-N 1 2 294.315 -1.581 20 0 CAADLO Cn1ccc(C(=O)N[C@@H]2CC[N@@H+](CC(=O)NC(N)=O)C2)n1 ZINC001378138562 888040675 /nfs/dbraw/zinc/04/06/75/888040675.db2.gz ALIMNPIANMTAJG-MRVPVSSYSA-N 1 2 294.315 -1.581 20 0 CAADLO CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cnn(C)n2)C1 ZINC001378126522 888041106 /nfs/dbraw/zinc/04/11/06/888041106.db2.gz LCERZSXCLBOCAN-SECBINFHSA-N 1 2 280.332 -1.245 20 0 CAADLO CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cnn(C)n2)C1 ZINC001378126522 888041116 /nfs/dbraw/zinc/04/11/16/888041116.db2.gz LCERZSXCLBOCAN-SECBINFHSA-N 1 2 280.332 -1.245 20 0 CAADLO CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC001378116729 888041295 /nfs/dbraw/zinc/04/12/95/888041295.db2.gz PLVWOLADEKYJSJ-NXEZZACHSA-N 1 2 297.359 -1.663 20 0 CAADLO CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC001378116729 888041304 /nfs/dbraw/zinc/04/13/04/888041304.db2.gz PLVWOLADEKYJSJ-NXEZZACHSA-N 1 2 297.359 -1.663 20 0 CAADLO CC[C@@H](CNC(=O)CNC(C)=O)[NH2+]Cc1nnn(C)n1 ZINC001378208816 888044426 /nfs/dbraw/zinc/04/44/26/888044426.db2.gz BPSJFKJMLBEWGZ-VIFPVBQESA-N 1 2 283.336 -1.669 20 0 CAADLO C[C@@H](O)C[NH+]1CC(CCO)(NC(=O)[C@H]2COC(=O)N2)C1 ZINC001378278656 888048199 /nfs/dbraw/zinc/04/81/99/888048199.db2.gz IXDHDLSMMHEEOL-RKDXNWHRSA-N 1 2 287.316 -1.971 20 0 CAADLO Cc1nnc(CC(=O)NC2(CCO)C[NH+](C[C@H](C)O)C2)o1 ZINC001378278737 888049149 /nfs/dbraw/zinc/04/91/49/888049149.db2.gz KWCLVUNPNQOXHG-VIFPVBQESA-N 1 2 298.343 -1.146 20 0 CAADLO COCC[NH+]1CC(CCO)(NC(=O)C2CN(C(C)=O)C2)C1 ZINC001378284120 888049182 /nfs/dbraw/zinc/04/91/82/888049182.db2.gz XYDCVAKGEBOQOS-UHFFFAOYSA-N 1 2 299.371 -1.336 20 0 CAADLO NC(=O)[C@H]1CC[C@H]1C(=O)NC1(CCO)C[NH+](CCCO)C1 ZINC001378313879 888049725 /nfs/dbraw/zinc/04/97/25/888049725.db2.gz GLLSODZIHARGHN-WDEREUQCSA-N 1 2 299.371 -1.567 20 0 CAADLO CC[C@H](CNC(=O)c1cnon1)[NH2+]Cc1nnn(C)n1 ZINC001378308295 888051721 /nfs/dbraw/zinc/05/17/21/888051721.db2.gz OHADEQXCLCAYKG-SSDOTTSWSA-N 1 2 280.292 -1.109 20 0 CAADLO CC[C@H](CNC(=O)Cn1cncn1)[NH2+]Cc1nnn(C)n1 ZINC001378325138 888052774 /nfs/dbraw/zinc/05/27/74/888052774.db2.gz JMLPVEUECJDZKV-SECBINFHSA-N 1 2 293.335 -1.514 20 0 CAADLO CC[C@@H](CNC(=O)c1cnon1)[NH2+]Cc1nnn(C)n1 ZINC001378308297 888053182 /nfs/dbraw/zinc/05/31/82/888053182.db2.gz OHADEQXCLCAYKG-ZETCQYMHSA-N 1 2 280.292 -1.109 20 0 CAADLO CC[NH+]1CC(CCO)(NC(=O)c2nccnc2C(N)=O)C1 ZINC001378357158 888053604 /nfs/dbraw/zinc/05/36/04/888053604.db2.gz RDVBBNVPXBPEFZ-UHFFFAOYSA-N 1 2 293.327 -1.238 20 0 CAADLO C[C@H](NC(=O)CN1CCOCC1)C1C[NH+](CC(N)=O)C1 ZINC001378493287 888054093 /nfs/dbraw/zinc/05/40/93/888054093.db2.gz HEJZWBYSYQQJFH-JTQLQIEISA-N 1 2 284.360 -1.760 20 0 CAADLO CCNC(=O)C[NH+]1CC([C@H](C)NC(=O)CNC(=O)NC)C1 ZINC001378512009 888054790 /nfs/dbraw/zinc/05/47/90/888054790.db2.gz FLNWJIJJDCIYDC-VIFPVBQESA-N 1 2 299.375 -1.512 20 0 CAADLO CCNC(=O)C[NH+]1CC([C@@H](C)NC(=O)CNC(=O)NC)C1 ZINC001378512008 888054853 /nfs/dbraw/zinc/05/48/53/888054853.db2.gz FLNWJIJJDCIYDC-SECBINFHSA-N 1 2 299.375 -1.512 20 0 CAADLO CNC(=O)C[NH+]1CC([C@H](C)NC(=O)[C@H](C)NC(N)=O)C1 ZINC001378497902 888055865 /nfs/dbraw/zinc/05/58/65/888055865.db2.gz NFFKGEYWFHOHQP-YUMQZZPRSA-N 1 2 285.348 -1.774 20 0 CAADLO Cc1nnc(CC(=O)N[C@@H](C)C2C[NH+]([C@@H](C)C(N)=O)C2)[nH]1 ZINC001378511317 888055952 /nfs/dbraw/zinc/05/59/52/888055952.db2.gz LRGJEALDIWEZOH-YUMQZZPRSA-N 1 2 294.359 -1.034 20 0 CAADLO CNC(=O)C[NH+]1CC([C@@H](C)NC(=O)CO[C@H]2CCOC2)C1 ZINC001378516081 888056968 /nfs/dbraw/zinc/05/69/68/888056968.db2.gz RSGCQHUIQVRHMY-PWSUYJOCSA-N 1 2 299.371 -1.026 20 0 CAADLO CCNC(=O)C[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001378553465 888057974 /nfs/dbraw/zinc/05/79/74/888057974.db2.gz JFERTDGLHXBMEP-SCZZXKLOSA-N 1 2 297.359 -1.760 20 0 CAADLO C[C@@H](NC(=O)c1cnco1)C1C[NH+](CC(=O)NC(N)=O)C1 ZINC001378535541 888059027 /nfs/dbraw/zinc/05/90/27/888059027.db2.gz SGRXCPDQAKQGFN-SSDOTTSWSA-N 1 2 295.299 -1.080 20 0 CAADLO CCNC(=O)C[NH+]1CC([C@H](C)NC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001378544351 888060672 /nfs/dbraw/zinc/06/06/72/888060672.db2.gz VNQBUDYZLAUUEJ-GDPRMGEGSA-N 1 2 296.371 -1.320 20 0 CAADLO CNC(=O)C[NH+]1CC([C@@H](C)NC(=O)Cn2cncn2)C1 ZINC001378584201 888060749 /nfs/dbraw/zinc/06/07/49/888060749.db2.gz CTMFCTOTJGXQET-SECBINFHSA-N 1 2 280.332 -1.539 20 0 CAADLO O=C(CCc1nnc[nH]1)NC[C@H]1C[N@H+](CCCO)CCO1 ZINC001378652887 888062914 /nfs/dbraw/zinc/06/29/14/888062914.db2.gz NOYFTAYDBBNKKV-NSHDSACASA-N 1 2 297.359 -1.063 20 0 CAADLO O=C(CCc1nnc[nH]1)NC[C@H]1C[N@@H+](CCCO)CCO1 ZINC001378652887 888062925 /nfs/dbraw/zinc/06/29/25/888062925.db2.gz NOYFTAYDBBNKKV-NSHDSACASA-N 1 2 297.359 -1.063 20 0 CAADLO O=C(CCc1nnc[nH]1)NC[C@@H]1C[N@H+](CCCO)CCO1 ZINC001378652885 888063258 /nfs/dbraw/zinc/06/32/58/888063258.db2.gz NOYFTAYDBBNKKV-LLVKDONJSA-N 1 2 297.359 -1.063 20 0 CAADLO O=C(CCc1nnc[nH]1)NC[C@@H]1C[N@@H+](CCCO)CCO1 ZINC001378652885 888063276 /nfs/dbraw/zinc/06/32/76/888063276.db2.gz NOYFTAYDBBNKKV-LLVKDONJSA-N 1 2 297.359 -1.063 20 0 CAADLO COC[C@H](O)C[N@@H+]1CCO[C@H](CNC(=O)c2cn[nH]c2)C1 ZINC001378644545 888063311 /nfs/dbraw/zinc/06/33/11/888063311.db2.gz NXHSSRBWGMKERS-VXGBXAGGSA-N 1 2 298.343 -1.152 20 0 CAADLO COC[C@H](O)C[N@H+]1CCO[C@H](CNC(=O)c2cn[nH]c2)C1 ZINC001378644545 888063327 /nfs/dbraw/zinc/06/33/27/888063327.db2.gz NXHSSRBWGMKERS-VXGBXAGGSA-N 1 2 298.343 -1.152 20 0 CAADLO C[C@@H](NC(=O)CCc1cn(C)nn1)C1C[NH+](CC(N)=O)C1 ZINC001378584601 888064597 /nfs/dbraw/zinc/06/45/97/888064597.db2.gz BLVURMDWNJPWLP-SECBINFHSA-N 1 2 294.359 -1.331 20 0 CAADLO COC(=O)NCC(=O)N[C@@H]1C[N@H+](CC(N)=O)CC1(C)C ZINC001378656021 888066185 /nfs/dbraw/zinc/06/61/85/888066185.db2.gz XNERHRQVKOHABE-MRVPVSSYSA-N 1 2 286.332 -1.346 20 0 CAADLO COC(=O)NCC(=O)N[C@@H]1C[N@@H+](CC(N)=O)CC1(C)C ZINC001378656021 888066195 /nfs/dbraw/zinc/06/61/95/888066195.db2.gz XNERHRQVKOHABE-MRVPVSSYSA-N 1 2 286.332 -1.346 20 0 CAADLO C[C@H](C(N)=O)N1CCO[C@@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001378684984 888066309 /nfs/dbraw/zinc/06/63/09/888066309.db2.gz LHLGZRSWUTXVCA-KOLCDFICSA-N 1 2 295.343 -1.357 20 0 CAADLO CNC(=O)CN1CCO[C@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001378665526 888066415 /nfs/dbraw/zinc/06/64/15/888066415.db2.gz DPVAITDMTRPHRC-LLVKDONJSA-N 1 2 295.343 -1.554 20 0 CAADLO C[C@@H](C(N)=O)N1CCO[C@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001378665135 888067423 /nfs/dbraw/zinc/06/74/23/888067423.db2.gz AYZSKEJQWSKIHB-VHSXEESVSA-N 1 2 295.343 -1.357 20 0 CAADLO COC[C@@H](OC)C(=O)N[C@@H]1C[N@H+](CC(N)=O)CC1(C)C ZINC001378652931 888067959 /nfs/dbraw/zinc/06/79/59/888067959.db2.gz MRPIANMSAPQCBZ-NXEZZACHSA-N 1 2 287.360 -1.040 20 0 CAADLO COC[C@@H](OC)C(=O)N[C@@H]1C[N@@H+](CC(N)=O)CC1(C)C ZINC001378652931 888067977 /nfs/dbraw/zinc/06/79/77/888067977.db2.gz MRPIANMSAPQCBZ-NXEZZACHSA-N 1 2 287.360 -1.040 20 0 CAADLO C[C@@H](C(N)=O)N1CCO[C@@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001378684991 888068213 /nfs/dbraw/zinc/06/82/13/888068213.db2.gz LHLGZRSWUTXVCA-ONGXEEELSA-N 1 2 295.343 -1.357 20 0 CAADLO CN(CC[N@H+](C)CC(N)=O)C(=O)c1nnn(C(C)(C)C)n1 ZINC001379045674 888076836 /nfs/dbraw/zinc/07/68/36/888076836.db2.gz ZXSSATWQPRXDLI-UHFFFAOYSA-N 1 2 297.363 -1.083 20 0 CAADLO CN(CC[N@@H+](C)CC(N)=O)C(=O)c1nnn(C(C)(C)C)n1 ZINC001379045674 888076843 /nfs/dbraw/zinc/07/68/43/888076843.db2.gz ZXSSATWQPRXDLI-UHFFFAOYSA-N 1 2 297.363 -1.083 20 0 CAADLO COCC(=O)N(C)CC[N@H+](C)Cc1nc(=O)n(C)[nH]1 ZINC001378995686 888077197 /nfs/dbraw/zinc/07/71/97/888077197.db2.gz GUALAWFQQVJXDV-UHFFFAOYSA-N 1 2 271.321 -1.355 20 0 CAADLO COCC(=O)N(C)CC[N@@H+](C)Cc1nc(=O)n(C)[nH]1 ZINC001378995686 888077213 /nfs/dbraw/zinc/07/72/13/888077213.db2.gz GUALAWFQQVJXDV-UHFFFAOYSA-N 1 2 271.321 -1.355 20 0 CAADLO CN(CC[N@H+](C)Cc1ccnn1C)C(=O)Cn1ncnn1 ZINC001379045401 888079865 /nfs/dbraw/zinc/07/98/65/888079865.db2.gz WINFBVFCTCQZLM-UHFFFAOYSA-N 1 2 292.347 -1.003 20 0 CAADLO CN(CC[N@@H+](C)Cc1ccnn1C)C(=O)Cn1ncnn1 ZINC001379045401 888079871 /nfs/dbraw/zinc/07/98/71/888079871.db2.gz WINFBVFCTCQZLM-UHFFFAOYSA-N 1 2 292.347 -1.003 20 0 CAADLO CNC(=O)NCC(=O)N(C)CC[N@H+](C)CC(=O)NC1CC1 ZINC001379054894 888080453 /nfs/dbraw/zinc/08/04/53/888080453.db2.gz PBSKRFUVTUQRTD-UHFFFAOYSA-N 1 2 299.375 -1.416 20 0 CAADLO CNC(=O)NCC(=O)N(C)CC[N@@H+](C)CC(=O)NC1CC1 ZINC001379054894 888080467 /nfs/dbraw/zinc/08/04/67/888080467.db2.gz PBSKRFUVTUQRTD-UHFFFAOYSA-N 1 2 299.375 -1.416 20 0 CAADLO CNC(=O)C[N@H+](C)CCN(C)C(=O)[C@@H]1C[C@@H]1C(=O)OC ZINC001379030621 888081133 /nfs/dbraw/zinc/08/11/33/888081133.db2.gz WQOAMUWRZLYUGZ-ZJUUUORDSA-N 1 2 285.344 -1.068 20 0 CAADLO CNC(=O)C[N@@H+](C)CCN(C)C(=O)[C@@H]1C[C@@H]1C(=O)OC ZINC001379030621 888081141 /nfs/dbraw/zinc/08/11/41/888081141.db2.gz WQOAMUWRZLYUGZ-ZJUUUORDSA-N 1 2 285.344 -1.068 20 0 CAADLO CN(CC[N@H+](C)CC(N)=O)C(=O)c1nccnc1C(N)=O ZINC001379127939 888082333 /nfs/dbraw/zinc/08/23/33/888082333.db2.gz DKBFXNQBAHXSOU-UHFFFAOYSA-N 1 2 294.315 -1.935 20 0 CAADLO CN(CC[N@@H+](C)CC(N)=O)C(=O)c1nccnc1C(N)=O ZINC001379127939 888082343 /nfs/dbraw/zinc/08/23/43/888082343.db2.gz DKBFXNQBAHXSOU-UHFFFAOYSA-N 1 2 294.315 -1.935 20 0 CAADLO COc1nccc(C(=O)N(C)CC[N@H+](C)CC(N)=O)n1 ZINC001379075925 888082424 /nfs/dbraw/zinc/08/24/24/888082424.db2.gz MNOWNSOPVMGCDF-UHFFFAOYSA-N 1 2 281.316 -1.026 20 0 CAADLO COc1nccc(C(=O)N(C)CC[N@@H+](C)CC(N)=O)n1 ZINC001379075925 888082437 /nfs/dbraw/zinc/08/24/37/888082437.db2.gz MNOWNSOPVMGCDF-UHFFFAOYSA-N 1 2 281.316 -1.026 20 0 CAADLO CN(CC[N@H+](C)CC(N)=O)C(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001379074507 888083436 /nfs/dbraw/zinc/08/34/36/888083436.db2.gz UEYUQSSSMWDJQX-GMXVVIOVSA-N 1 2 299.371 -1.087 20 0 CAADLO CN(CC[N@@H+](C)CC(N)=O)C(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001379074507 888083449 /nfs/dbraw/zinc/08/34/49/888083449.db2.gz UEYUQSSSMWDJQX-GMXVVIOVSA-N 1 2 299.371 -1.087 20 0 CAADLO CC(=O)N1CCC[C@@H]1C(=O)N(C)CC[N@H+](C)CC(N)=O ZINC001379143933 888083921 /nfs/dbraw/zinc/08/39/21/888083921.db2.gz MFALJTHMCPBCLB-LLVKDONJSA-N 1 2 284.360 -1.127 20 0 CAADLO CC(=O)N1CCC[C@@H]1C(=O)N(C)CC[N@@H+](C)CC(N)=O ZINC001379143933 888083935 /nfs/dbraw/zinc/08/39/35/888083935.db2.gz MFALJTHMCPBCLB-LLVKDONJSA-N 1 2 284.360 -1.127 20 0 CAADLO CCNC(=O)C[N@H+](C)CCN(C)C(=O)[C@@H]1CNC(=O)N1 ZINC001379089342 888085164 /nfs/dbraw/zinc/08/51/64/888085164.db2.gz OWUWQFBZPIJKAS-VIFPVBQESA-N 1 2 285.348 -1.806 20 0 CAADLO CCNC(=O)C[N@H+](C)CCN(C)C(=O)c1cnn(C)n1 ZINC001379109810 888085125 /nfs/dbraw/zinc/08/51/25/888085125.db2.gz TZRFWDJRTAPKGZ-UHFFFAOYSA-N 1 2 282.348 -1.045 20 0 CAADLO CCNC(=O)C[N@@H+](C)CCN(C)C(=O)c1cnn(C)n1 ZINC001379109810 888085137 /nfs/dbraw/zinc/08/51/37/888085137.db2.gz TZRFWDJRTAPKGZ-UHFFFAOYSA-N 1 2 282.348 -1.045 20 0 CAADLO CNC(=O)C[N@H+](C)CCN(C)C(=O)c1ccc(=O)n(C)n1 ZINC001379128160 888086119 /nfs/dbraw/zinc/08/61/19/888086119.db2.gz GYHZLJGIBAYANV-UHFFFAOYSA-N 1 2 295.343 -1.470 20 0 CAADLO CNC(=O)C[N@@H+](C)CCN(C)C(=O)c1ccc(=O)n(C)n1 ZINC001379128160 888086140 /nfs/dbraw/zinc/08/61/40/888086140.db2.gz GYHZLJGIBAYANV-UHFFFAOYSA-N 1 2 295.343 -1.470 20 0 CAADLO Cn1ccc(C[NH2+]C[C@@H](O)CNC(=O)c2cnn[nH]2)n1 ZINC001379208884 888106160 /nfs/dbraw/zinc/10/61/60/888106160.db2.gz RLVFECRUMRZIPT-SECBINFHSA-N 1 2 279.304 -1.581 20 0 CAADLO Cc1noc(C[NH2+]C[C@H](O)CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)n1 ZINC001379245873 888111918 /nfs/dbraw/zinc/11/19/18/888111918.db2.gz PMQHUMNHPQHVGR-UXCLJVHYSA-N 1 2 296.327 -1.163 20 0 CAADLO Cc1noc(C[NH2+]C[C@@H](O)CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)n1 ZINC001379245872 888112015 /nfs/dbraw/zinc/11/20/15/888112015.db2.gz PMQHUMNHPQHVGR-SVDPJWKOSA-N 1 2 296.327 -1.163 20 0 CAADLO CC(=O)NCC(=O)N(C)C1CN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001379260593 888113480 /nfs/dbraw/zinc/11/34/80/888113480.db2.gz XIESQASHJOWJMQ-UHFFFAOYSA-N 1 2 293.327 -1.243 20 0 CAADLO CCn1ccc(C[NH2+]C[C@@H](O)CNC(=O)c2ncn[nH]2)n1 ZINC001379254852 888113659 /nfs/dbraw/zinc/11/36/59/888113659.db2.gz AXXMCPQEISGXHA-SNVBAGLBSA-N 1 2 293.331 -1.098 20 0 CAADLO CCn1ccc(C[NH2+]C[C@@H](O)CNC(=O)c2nc[nH]n2)n1 ZINC001379254852 888113666 /nfs/dbraw/zinc/11/36/66/888113666.db2.gz AXXMCPQEISGXHA-SNVBAGLBSA-N 1 2 293.331 -1.098 20 0 CAADLO Cc1noc(C[NH2+]C[C@H](O)CNC(=O)c2ccn(C)n2)n1 ZINC001379295426 888121516 /nfs/dbraw/zinc/12/15/16/888121516.db2.gz YRUXVQFSFVYCBA-VIFPVBQESA-N 1 2 294.315 -1.008 20 0 CAADLO COCCC(=O)NC[C@@H](CO)[NH2+][C@H](C)c1nncn1C ZINC001379336528 888124209 /nfs/dbraw/zinc/12/42/09/888124209.db2.gz RLIBHKYMOSMFJC-ZJUUUORDSA-N 1 2 285.348 -1.021 20 0 CAADLO CC(C)CC(=O)NC[C@@H](CO)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001379347412 888124807 /nfs/dbraw/zinc/12/48/07/888124807.db2.gz GDUYRTORYTXHNY-VIFPVBQESA-N 1 2 285.348 -1.279 20 0 CAADLO COCC(=O)NC[C@@H](CO)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001379337728 888125088 /nfs/dbraw/zinc/12/50/88/888125088.db2.gz WZALJZDXVXJIJV-ZETCQYMHSA-N 1 2 273.293 -2.679 20 0 CAADLO CC(=O)NCC(=O)NC[C@H](CO)[NH2+][C@H](C)c1nncn1C ZINC001379346836 888125127 /nfs/dbraw/zinc/12/51/27/888125127.db2.gz DRWPTGPWORDCSB-PSASIEDQSA-N 1 2 298.347 -1.921 20 0 CAADLO Cn1cccc1C(=O)NC[C@@H](CO)[NH2+]Cc1nnnn1C ZINC001379347092 888125515 /nfs/dbraw/zinc/12/55/15/888125515.db2.gz ACNHLWCSQQEIIU-VIFPVBQESA-N 1 2 293.331 -1.571 20 0 CAADLO Cn1nnnc1C[NH2+][C@H](CO)CNC(=O)c1cn[nH]c1 ZINC001379358681 888127200 /nfs/dbraw/zinc/12/72/00/888127200.db2.gz GORMBGCRYLZYEX-QMMMGPOBSA-N 1 2 280.292 -2.186 20 0 CAADLO COC[C@H](C)C(=O)NC[C@H](CO)[NH2+]Cc1cnn(C)n1 ZINC001379359870 888127240 /nfs/dbraw/zinc/12/72/40/888127240.db2.gz GLMLGQCFJWVXAP-GXSJLCMTSA-N 1 2 285.348 -1.336 20 0 CAADLO CO[C@@H](C)C(=O)NC[C@H](CO)[NH2+]Cc1nonc1C ZINC001379361467 888127808 /nfs/dbraw/zinc/12/78/08/888127808.db2.gz KZWFSUFOHNVFST-DTWKUNHWSA-N 1 2 272.305 -1.020 20 0 CAADLO Cn1cnnc1C[NH2+][C@@H](CO)CNC(=O)c1ccnn1C ZINC001379361059 888127910 /nfs/dbraw/zinc/12/79/10/888127910.db2.gz IEWKEXFPFWRPJE-SECBINFHSA-N 1 2 293.331 -1.571 20 0 CAADLO CO[C@@H](C)C(=O)NC[C@@H](CO)[NH2+]Cc1nonc1C ZINC001379361469 888128388 /nfs/dbraw/zinc/12/83/88/888128388.db2.gz KZWFSUFOHNVFST-IUCAKERBSA-N 1 2 272.305 -1.020 20 0 CAADLO CO[C@H](C)C(=O)NC[C@@H](CO)[NH2+]Cc1nonc1C ZINC001379361464 888128790 /nfs/dbraw/zinc/12/87/90/888128790.db2.gz KZWFSUFOHNVFST-BDAKNGLRSA-N 1 2 272.305 -1.020 20 0 CAADLO CO[C@H](C)C(=O)NC[C@H](CO)[NH2+]Cc1nonc1C ZINC001379361471 888128917 /nfs/dbraw/zinc/12/89/17/888128917.db2.gz KZWFSUFOHNVFST-RKDXNWHRSA-N 1 2 272.305 -1.020 20 0 CAADLO CS[C@H](C)C(=O)NC[C@@H](CO)[NH2+]Cc1nnnn1C ZINC001379366521 888130541 /nfs/dbraw/zinc/13/05/41/888130541.db2.gz RLSSQLBPGQGUFW-SFYZADRCSA-N 1 2 288.377 -1.472 20 0 CAADLO CS[C@H](C)C(=O)NC[C@H](CO)[NH2+]Cc1nnnn1C ZINC001379366496 888130586 /nfs/dbraw/zinc/13/05/86/888130586.db2.gz RLSSQLBPGQGUFW-HTQZYQBOSA-N 1 2 288.377 -1.472 20 0 CAADLO Cc1nnc(C[NH2+][C@@H](CO)CNC(=O)[C@H]2CCOC2)[nH]1 ZINC001379365752 888130732 /nfs/dbraw/zinc/13/07/32/888130732.db2.gz OBNRKMYXYAANCE-VHSXEESVSA-N 1 2 283.332 -1.284 20 0 CAADLO CS[C@@H](C)C(=O)NC[C@@H](CO)[NH2+]Cc1nnnn1C ZINC001379366526 888130819 /nfs/dbraw/zinc/13/08/19/888130819.db2.gz RLSSQLBPGQGUFW-YUMQZZPRSA-N 1 2 288.377 -1.472 20 0 CAADLO CO[C@H](C)C(=O)NC[C@H](CO)[NH2+]Cc1nnnn1C1CC1 ZINC001379365159 888130885 /nfs/dbraw/zinc/13/08/85/888130885.db2.gz RFXBVVBDDYGROX-RKDXNWHRSA-N 1 2 298.347 -1.390 20 0 CAADLO CC[C@@H](OC)C(=O)NC[C@H](CO)[NH2+]Cc1ncnn1C ZINC001379368719 888130978 /nfs/dbraw/zinc/13/09/78/888130978.db2.gz QZTFDVAMBBAKMV-NXEZZACHSA-N 1 2 285.348 -1.193 20 0 CAADLO CCn1ncnc1C[NH2+][C@H](CO)CNC(=O)[C@@H]1CCOC1 ZINC001379368859 888131216 /nfs/dbraw/zinc/13/12/16/888131216.db2.gz SDZWIMNRIPEHRC-MNOVXSKESA-N 1 2 297.359 -1.099 20 0 CAADLO Cn1nnnc1C[NH2+][C@@H](CO)CNC(=O)Cc1cc[nH]n1 ZINC001379366145 888131365 /nfs/dbraw/zinc/13/13/65/888131365.db2.gz FKVAKZNGWTWQNH-SECBINFHSA-N 1 2 294.319 -2.257 20 0 CAADLO Cn1ncnc1C[NH2+][C@H](CO)CNC(=O)c1cnsn1 ZINC001379368926 888131417 /nfs/dbraw/zinc/13/14/17/888131417.db2.gz WVAUODVIZXTRNW-ZETCQYMHSA-N 1 2 297.344 -1.453 20 0 CAADLO Cn1[nH]c(C[NH2+][C@@H](CO)CNC(=O)c2cocn2)nc1=O ZINC001379373592 888132261 /nfs/dbraw/zinc/13/22/61/888132261.db2.gz ZARYSYKEZKXAFR-SSDOTTSWSA-N 1 2 296.287 -2.023 20 0 CAADLO Cn1nnnc1C[NH2+][C@@H](CO)CNC(=O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC001379376896 888133288 /nfs/dbraw/zinc/13/32/88/888133288.db2.gz VOMKJPHCTSHENF-SVDPJWKOSA-N 1 2 294.359 -1.177 20 0 CAADLO Cc1ncoc1C(=O)NC[C@@H](CO)[NH2+]Cc1nncn1C ZINC001379374412 888133912 /nfs/dbraw/zinc/13/39/12/888133912.db2.gz OCIZMTWWNKOCIE-VIFPVBQESA-N 1 2 294.315 -1.008 20 0 CAADLO Cn1ncnc1C[NH2+][C@H](CO)CNC(=O)CC(C)(C)O ZINC001379389632 888133935 /nfs/dbraw/zinc/13/39/35/888133935.db2.gz LWVNDVRYBCNFEM-VIFPVBQESA-N 1 2 285.348 -1.457 20 0 CAADLO CC[C@@H](OC)C(=O)NC[C@@H](CO)[NH2+]Cc1cnn(C)n1 ZINC001379373728 888134091 /nfs/dbraw/zinc/13/40/91/888134091.db2.gz ZUURHLBROCCIRE-WDEREUQCSA-N 1 2 285.348 -1.193 20 0 CAADLO Cn1nnnc1C[NH2+][C@H](CO)CNC(=O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC001379376899 888134616 /nfs/dbraw/zinc/13/46/16/888134616.db2.gz VOMKJPHCTSHENF-UXCLJVHYSA-N 1 2 294.359 -1.177 20 0 CAADLO Cc1cc(C[NH2+][C@@H](CO)CNC(=O)c2cnnn2C)no1 ZINC001379389824 888135621 /nfs/dbraw/zinc/13/56/21/888135621.db2.gz MKMLAJAZECTIIZ-SNVBAGLBSA-N 1 2 294.315 -1.008 20 0 CAADLO C[C@H](C[NH2+]Cc1nc(=O)n(C)[nH]1)NC(=O)c1cn[nH]n1 ZINC001379399057 888136377 /nfs/dbraw/zinc/13/63/77/888136377.db2.gz VMGYVBSWPAYOPS-ZCFIWIBFSA-N 1 2 280.292 -1.865 20 0 CAADLO C[C@H](C[NH2+]Cc1nc(=O)n(C)[nH]1)NC(=O)c1cnn[nH]1 ZINC001379399057 888136382 /nfs/dbraw/zinc/13/63/82/888136382.db2.gz VMGYVBSWPAYOPS-ZCFIWIBFSA-N 1 2 280.292 -1.865 20 0 CAADLO Cc1nonc1C[NH2+][C@H](CO)CNC(=O)[C@]12C[C@H]1COC2 ZINC001379396444 888136423 /nfs/dbraw/zinc/13/64/23/888136423.db2.gz KYJYZILCHNUNAY-KWBADKCTSA-N 1 2 296.327 -1.019 20 0 CAADLO C[C@@H]([NH2+][C@H](CO)CNC(=O)c1ncc[nH]1)c1nnnn1C ZINC001379398415 888136660 /nfs/dbraw/zinc/13/66/60/888136660.db2.gz AJGPQXQUYOWAAZ-SFYZADRCSA-N 1 2 294.319 -1.625 20 0 CAADLO CO[C@@H](C(=O)NC[C@H](CO)[NH2+]Cc1cn(C)nn1)C1CC1 ZINC001379394540 888137405 /nfs/dbraw/zinc/13/74/05/888137405.db2.gz WSPPULCLOZUBCS-VXGBXAGGSA-N 1 2 297.359 -1.193 20 0 CAADLO Cn1ncnc1C[NH2+][C@H](CO)CNC(=O)c1cnnn1C ZINC001379395073 888137639 /nfs/dbraw/zinc/13/76/39/888137639.db2.gz XXOJGHBBDMTUGO-QMMMGPOBSA-N 1 2 294.319 -2.176 20 0 CAADLO Cn1cnc(C(=O)NC[C@@H](CO)[NH2+]Cc2cn(C)nn2)n1 ZINC001379399406 888137887 /nfs/dbraw/zinc/13/78/87/888137887.db2.gz WBOJVGRAQSXNAS-VIFPVBQESA-N 1 2 294.319 -2.176 20 0 CAADLO Cn1ncnc1C[NH2+][C@@H](CO)CNC(=O)c1cnnn1C ZINC001379395071 888137921 /nfs/dbraw/zinc/13/79/21/888137921.db2.gz XXOJGHBBDMTUGO-MRVPVSSYSA-N 1 2 294.319 -2.176 20 0 CAADLO Cn1ncnc1C[NH2+][C@@H](CO)CNC(=O)[C@@H]1COC(=O)N1 ZINC001379394659 888137969 /nfs/dbraw/zinc/13/79/69/888137969.db2.gz HRXWOPQRVGVKSL-SFYZADRCSA-N 1 2 298.303 -2.510 20 0 CAADLO Cc1conc1C[NH2+][C@H](CO)CNC(=O)c1cnnn1C ZINC001379395102 888138192 /nfs/dbraw/zinc/13/81/92/888138192.db2.gz YCEHROQKUJBFHW-VIFPVBQESA-N 1 2 294.315 -1.008 20 0 CAADLO CNC(=O)NCC(=O)NC[C@H](CO)[NH2+]Cc1cc(C)on1 ZINC001379415416 888140530 /nfs/dbraw/zinc/14/05/30/888140530.db2.gz VUEQRILVZJKXIW-SNVBAGLBSA-N 1 2 299.331 -1.521 20 0 CAADLO CN(C(=O)Cc1[nH]cc[nH+]1)C1CN(C(=O)CNC(N)=O)C1 ZINC001379427409 888143261 /nfs/dbraw/zinc/14/32/61/888143261.db2.gz DPHFTEXFNADMPQ-UHFFFAOYSA-N 1 2 294.315 -1.710 20 0 CAADLO C[C@H](C[NH2+]Cc1nc(=O)n(C)[nH]1)NC(=O)Cc1ncc[nH]1 ZINC001379452617 888145601 /nfs/dbraw/zinc/14/56/01/888145601.db2.gz LJUGBKUSEHCYBM-MRVPVSSYSA-N 1 2 293.331 -1.332 20 0 CAADLO Cc1nnc(C[NH2+][C@H](CO)CNC(=O)c2csnn2)[nH]1 ZINC001379451932 888146071 /nfs/dbraw/zinc/14/60/71/888146071.db2.gz UREHEEIMGMNROJ-ZETCQYMHSA-N 1 2 297.344 -1.155 20 0 CAADLO Cn1cc(C[NH2+][C@H](CO)CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)nn1 ZINC001379462302 888147068 /nfs/dbraw/zinc/14/70/68/888147068.db2.gz AOHRQJBUBKNUED-NNYUYHANSA-N 1 2 295.343 -1.726 20 0 CAADLO Cn1nnnc1C[NH2+][C@@H](CO)CNC(=O)CCCF ZINC001379462892 888147704 /nfs/dbraw/zinc/14/77/04/888147704.db2.gz KGFPCYGEKJQIHL-MRVPVSSYSA-N 1 2 274.300 -1.474 20 0 CAADLO Cn1ncnc1C[NH2+][C@@H](CO)CNC(=O)c1ccnnc1 ZINC001379478207 888149150 /nfs/dbraw/zinc/14/91/50/888149150.db2.gz WHGNYCJIKVLZDO-SNVBAGLBSA-N 1 2 291.315 -1.514 20 0 CAADLO CNC(=O)CN[C@@H](CO)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001379474335 888149041 /nfs/dbraw/zinc/14/90/41/888149041.db2.gz RQJUCMRACHLCFF-MNOVXSKESA-N 1 2 286.376 -1.717 20 0 CAADLO CNC(=O)CN[C@@H](CO)CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001379474335 888149051 /nfs/dbraw/zinc/14/90/51/888149051.db2.gz RQJUCMRACHLCFF-MNOVXSKESA-N 1 2 286.376 -1.717 20 0 CAADLO CNC(=O)C[NH2+][C@H](CO)CNC(=O)C1=NC(=O)N(C)C1 ZINC001379470002 888150138 /nfs/dbraw/zinc/15/01/38/888150138.db2.gz QSZIJOANOGIAAP-ZETCQYMHSA-N 1 2 285.304 -2.448 20 0 CAADLO Cn1cc(C[NH2+][C@H](CO)CNC(=O)Cc2cnoc2)nn1 ZINC001379471158 888150502 /nfs/dbraw/zinc/15/05/02/888150502.db2.gz KOMLLHPCTDNLFJ-NSHDSACASA-N 1 2 294.315 -1.388 20 0 CAADLO CNC(=O)CN[C@H](CO)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001379474339 888150604 /nfs/dbraw/zinc/15/06/04/888150604.db2.gz RQJUCMRACHLCFF-QWRGUYRKSA-N 1 2 286.376 -1.717 20 0 CAADLO CNC(=O)CN[C@H](CO)CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001379474339 888150613 /nfs/dbraw/zinc/15/06/13/888150613.db2.gz RQJUCMRACHLCFF-QWRGUYRKSA-N 1 2 286.376 -1.717 20 0 CAADLO Cn1ncc(C[NH2+][C@@H](CO)CNC(=O)c2ccnnc2)n1 ZINC001379478858 888150725 /nfs/dbraw/zinc/15/07/25/888150725.db2.gz YOKZFPGFJNCPJL-LLVKDONJSA-N 1 2 291.315 -1.514 20 0 CAADLO C[C@@H](CC(N)=O)C(=O)NC[C@H](CO)[NH2+]Cc1nncn1C ZINC001379469643 888151075 /nfs/dbraw/zinc/15/10/75/888151075.db2.gz TVMIEFHTPPCUSN-DTWKUNHWSA-N 1 2 298.347 -2.107 20 0 CAADLO C[C@H](CC(N)=O)C(=O)NC[C@H](CO)[NH2+]Cc1nncn1C ZINC001379469649 888151321 /nfs/dbraw/zinc/15/13/21/888151321.db2.gz TVMIEFHTPPCUSN-RKDXNWHRSA-N 1 2 298.347 -2.107 20 0 CAADLO Cn1cnnc1C[NH2+][C@@H](CO)CNC(=O)c1cnon1 ZINC001379498818 888153681 /nfs/dbraw/zinc/15/36/81/888153681.db2.gz SSMLHRYLWMOGFE-SSDOTTSWSA-N 1 2 281.276 -1.921 20 0 CAADLO Cc1nn(C)cc1C[NH2+][C@@H](CO)CNC(=O)c1ncn[nH]1 ZINC001379495623 888153820 /nfs/dbraw/zinc/15/38/20/888153820.db2.gz AGDVKCQLHHLPDX-SNVBAGLBSA-N 1 2 293.331 -1.273 20 0 CAADLO Cc1nn(C)cc1C[NH2+][C@@H](CO)CNC(=O)c1nc[nH]n1 ZINC001379495623 888153825 /nfs/dbraw/zinc/15/38/25/888153825.db2.gz AGDVKCQLHHLPDX-SNVBAGLBSA-N 1 2 293.331 -1.273 20 0 CAADLO CC[NH2+][C@@H](CO)CNC(=O)Cn1[nH]cc2c(=O)ncnc1-2 ZINC001379497578 888154025 /nfs/dbraw/zinc/15/40/25/888154025.db2.gz HUFXMISTKCKMQK-MRVPVSSYSA-N 1 2 294.315 -1.842 20 0 CAADLO Cc1nc(C[NH2+][C@H](CO)CNC(=O)c2cnn(C)n2)co1 ZINC001379496670 888154676 /nfs/dbraw/zinc/15/46/76/888154676.db2.gz FHBPPDKOAKMTLD-VIFPVBQESA-N 1 2 294.315 -1.008 20 0 CAADLO O=C(NC[C@H](CO)[NH2+]Cc1cscn1)[C@@H]1CCC(=O)N1 ZINC001379503013 888156258 /nfs/dbraw/zinc/15/62/58/888156258.db2.gz GPTCYANSJDOUPX-SCZZXKLOSA-N 1 2 298.368 -1.012 20 0 CAADLO Cc1nc(C[NH2+][C@H](CO)CNC(=O)[C@@H]2CCC(=O)N2)co1 ZINC001379507082 888156359 /nfs/dbraw/zinc/15/63/59/888156359.db2.gz UFYFHYNUYWATHL-ONGXEEELSA-N 1 2 296.327 -1.172 20 0 CAADLO Cc1nc(C[NH2+][C@@H](CO)CNC(=O)[C@@H]2CCC(=O)N2)co1 ZINC001379507076 888156762 /nfs/dbraw/zinc/15/67/62/888156762.db2.gz UFYFHYNUYWATHL-KOLCDFICSA-N 1 2 296.327 -1.172 20 0 CAADLO Cn1cnnc1C[NH2+][C@H](CO)CNC(=O)c1cnon1 ZINC001379498823 888156773 /nfs/dbraw/zinc/15/67/73/888156773.db2.gz SSMLHRYLWMOGFE-ZETCQYMHSA-N 1 2 281.276 -1.921 20 0 CAADLO Cc1oncc1C[NH2+][C@H](CO)CNC(=O)Cc1nnc[nH]1 ZINC001379510052 888157256 /nfs/dbraw/zinc/15/72/56/888157256.db2.gz RKURNQKRKIMFRE-JTQLQIEISA-N 1 2 294.315 -1.089 20 0 CAADLO Cc1nnc(C[NH2+][C@H](CO)CNC(=O)c2cccnn2)[nH]1 ZINC001379498855 888157810 /nfs/dbraw/zinc/15/78/10/888157810.db2.gz SWQOZBDDEDWKSX-VIFPVBQESA-N 1 2 291.315 -1.216 20 0 CAADLO Cc1cc(C[NH2+][C@H](CO)CNC(=O)[C@@H]2CCC(=O)N2)no1 ZINC001379508546 888157871 /nfs/dbraw/zinc/15/78/71/888157871.db2.gz ZRQXORUVNBBMPN-QWRGUYRKSA-N 1 2 296.327 -1.172 20 0 CAADLO O=C(Cc1nc[nH]n1)NC[C@@H](CO)[NH2+]Cc1cnns1 ZINC001379512421 888159534 /nfs/dbraw/zinc/15/95/34/888159534.db2.gz WBOLSQLBMBRQKV-ZETCQYMHSA-N 1 2 297.344 -1.534 20 0 CAADLO O=C(Cc1nc[nH]n1)NC[C@H](CO)[NH2+]Cc1cnns1 ZINC001379512416 888161161 /nfs/dbraw/zinc/16/11/61/888161161.db2.gz WBOLSQLBMBRQKV-SSDOTTSWSA-N 1 2 297.344 -1.534 20 0 CAADLO Cc1noc(CN[C@H](CO)CNC(=O)Cn2cc[nH+]c2)n1 ZINC001379542471 888163318 /nfs/dbraw/zinc/16/33/18/888163318.db2.gz SSDQYOOHLASBIE-JTQLQIEISA-N 1 2 294.315 -1.159 20 0 CAADLO Cc1noc(CN[C@@H](CO)CNC(=O)Cn2cc[nH+]c2)n1 ZINC001379542476 888164832 /nfs/dbraw/zinc/16/48/32/888164832.db2.gz SSDQYOOHLASBIE-SNVBAGLBSA-N 1 2 294.315 -1.159 20 0 CAADLO C[C@@H](C[N@H+](C)Cc1cnnn1C)NC(=O)[C@H]1CNC(=O)N1 ZINC001379745867 888170046 /nfs/dbraw/zinc/17/00/46/888170046.db2.gz UOXSIHMNPJMLKC-WCBMZHEXSA-N 1 2 295.347 -1.567 20 0 CAADLO CNC(=O)NC(=O)C[N@H+](C)C[C@@H](C)NC(=O)c1cn[nH]n1 ZINC001379699606 888170019 /nfs/dbraw/zinc/17/00/19/888170019.db2.gz COEOVLGIXDQYNW-SSDOTTSWSA-N 1 2 297.319 -1.690 20 0 CAADLO CNC(=O)NC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)c1cn[nH]n1 ZINC001379699606 888170023 /nfs/dbraw/zinc/17/00/23/888170023.db2.gz COEOVLGIXDQYNW-SSDOTTSWSA-N 1 2 297.319 -1.690 20 0 CAADLO CNC(=O)NC(=O)C[N@H+](C)C[C@@H](C)NC(=O)c1cnn[nH]1 ZINC001379699606 888170026 /nfs/dbraw/zinc/17/00/26/888170026.db2.gz COEOVLGIXDQYNW-SSDOTTSWSA-N 1 2 297.319 -1.690 20 0 CAADLO CNC(=O)NC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)c1cnn[nH]1 ZINC001379699606 888170028 /nfs/dbraw/zinc/17/00/28/888170028.db2.gz COEOVLGIXDQYNW-SSDOTTSWSA-N 1 2 297.319 -1.690 20 0 CAADLO C[C@@H](C[N@@H+](C)Cc1cnnn1C)NC(=O)[C@H]1CNC(=O)N1 ZINC001379745867 888170048 /nfs/dbraw/zinc/17/00/48/888170048.db2.gz UOXSIHMNPJMLKC-WCBMZHEXSA-N 1 2 295.347 -1.567 20 0 CAADLO CC[C@@H]([NH2+]C[C@@H](O)CN(C)C(=O)Cc1ncn[nH]1)C(N)=O ZINC001379852367 888175551 /nfs/dbraw/zinc/17/55/51/888175551.db2.gz GMKPPBSKKDREEK-RKDXNWHRSA-N 1 2 298.347 -1.980 20 0 CAADLO CC[C@H]([NH2+]C[C@H](O)CN(C)C(=O)Cc1ncn[nH]1)C(N)=O ZINC001379852360 888176704 /nfs/dbraw/zinc/17/67/04/888176704.db2.gz GMKPPBSKKDREEK-IUCAKERBSA-N 1 2 298.347 -1.980 20 0 CAADLO CC(=O)N(C)CC(=O)NC[C@@H]1CC[N@@H+]1[C@H]1CCNC1=O ZINC001379946539 888181948 /nfs/dbraw/zinc/18/19/48/888181948.db2.gz AJWUYPRBAHDQPA-QWRGUYRKSA-N 1 2 282.344 -1.456 20 0 CAADLO O=C(CCn1ccnn1)NC[C@H]1CC[N@@H+]1[C@H]1CCNC1=O ZINC001379949335 888182113 /nfs/dbraw/zinc/18/21/13/888182113.db2.gz DVFIJFWGIKCZFX-MNOVXSKESA-N 1 2 292.343 -1.253 20 0 CAADLO O=C(CCn1ccnn1)NC[C@H]1CC[N@H+]1[C@H]1CCNC1=O ZINC001379949335 888182120 /nfs/dbraw/zinc/18/21/20/888182120.db2.gz DVFIJFWGIKCZFX-MNOVXSKESA-N 1 2 292.343 -1.253 20 0 CAADLO COCCC(=O)NC[C@H]1CC[N@@H+]1[C@H](C)C(=O)NC(N)=O ZINC001379935826 888183077 /nfs/dbraw/zinc/18/30/77/888183077.db2.gz IFAIYONENVBHNJ-RKDXNWHRSA-N 1 2 286.332 -1.203 20 0 CAADLO COCCC(=O)NC[C@H]1CC[N@H+]1[C@H](C)C(=O)NC(N)=O ZINC001379935826 888183089 /nfs/dbraw/zinc/18/30/89/888183089.db2.gz IFAIYONENVBHNJ-RKDXNWHRSA-N 1 2 286.332 -1.203 20 0 CAADLO CC(=O)NCC(=O)NC[C@@H]1CC[N@H+]1CC(=O)N(C)C1CC1 ZINC001379940398 888183192 /nfs/dbraw/zinc/18/31/92/888183192.db2.gz QSIRTTNRIMOHTR-LBPRGKRZSA-N 1 2 296.371 -1.066 20 0 CAADLO CC(=O)NCC(=O)NC[C@@H]1CC[N@@H+]1CC(=O)N(C)C1CC1 ZINC001379940398 888183200 /nfs/dbraw/zinc/18/32/00/888183200.db2.gz QSIRTTNRIMOHTR-LBPRGKRZSA-N 1 2 296.371 -1.066 20 0 CAADLO CNC(=O)NCC(=O)NC[C@@H]1CC[N@@H+]1[C@@H]1CCN(C)C1=O ZINC001379958239 888183871 /nfs/dbraw/zinc/18/38/71/888183871.db2.gz FCIUZBSLFLUXLL-VHSXEESVSA-N 1 2 297.359 -1.663 20 0 CAADLO CNC(=O)NCC(=O)NC[C@@H]1CC[N@H+]1[C@@H]1CCN(C)C1=O ZINC001379958239 888183881 /nfs/dbraw/zinc/18/38/81/888183881.db2.gz FCIUZBSLFLUXLL-VHSXEESVSA-N 1 2 297.359 -1.663 20 0 CAADLO Cn1nnc(C[NH2+]C[C@H](NC(=O)c2cnon2)C2CC2)n1 ZINC001379932989 888183968 /nfs/dbraw/zinc/18/39/68/888183968.db2.gz ZCINZPCWESQEMB-QMMMGPOBSA-N 1 2 292.303 -1.109 20 0 CAADLO COCCC(=O)NC[C@@H]1CC[N@@H+]1[C@H](C)C(=O)NC(N)=O ZINC001379935808 888184408 /nfs/dbraw/zinc/18/44/08/888184408.db2.gz IFAIYONENVBHNJ-BDAKNGLRSA-N 1 2 286.332 -1.203 20 0 CAADLO COCCC(=O)NC[C@@H]1CC[N@H+]1[C@H](C)C(=O)NC(N)=O ZINC001379935808 888184413 /nfs/dbraw/zinc/18/44/13/888184413.db2.gz IFAIYONENVBHNJ-BDAKNGLRSA-N 1 2 286.332 -1.203 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CC[C@@H]1CNC(=O)CN1CCCC1=O ZINC001379947373 888184595 /nfs/dbraw/zinc/18/45/95/888184595.db2.gz WZTPMONHDCZHJK-VHSXEESVSA-N 1 2 282.344 -1.327 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CC[C@@H]1CNC(=O)CN1CCCC1=O ZINC001379947373 888184600 /nfs/dbraw/zinc/18/46/00/888184600.db2.gz WZTPMONHDCZHJK-VHSXEESVSA-N 1 2 282.344 -1.327 20 0 CAADLO CCN(C)C(=O)C[N@@H+]1CC[C@@H]1CNC(=O)CCNC(N)=O ZINC001380045834 888185797 /nfs/dbraw/zinc/18/57/97/888185797.db2.gz ZWWZRLQGBRLEMI-SNVBAGLBSA-N 1 2 299.375 -1.286 20 0 CAADLO CCN(C)C(=O)C[N@H+]1CC[C@@H]1CNC(=O)CCNC(N)=O ZINC001380045834 888185806 /nfs/dbraw/zinc/18/58/06/888185806.db2.gz ZWWZRLQGBRLEMI-SNVBAGLBSA-N 1 2 299.375 -1.286 20 0 CAADLO O=C(Cn1cncn1)NC[C@H]1CC[N@@H+]1[C@H]1CCNC1=O ZINC001380034752 888186029 /nfs/dbraw/zinc/18/60/29/888186029.db2.gz GQZMNBSZLAMQPO-ZJUUUORDSA-N 1 2 278.316 -1.643 20 0 CAADLO O=C(Cn1cncn1)NC[C@H]1CC[N@H+]1[C@H]1CCNC1=O ZINC001380034752 888186039 /nfs/dbraw/zinc/18/60/39/888186039.db2.gz GQZMNBSZLAMQPO-ZJUUUORDSA-N 1 2 278.316 -1.643 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CC[C@H]1CNC(=O)CN1CCNC(=O)C1 ZINC001380003653 888186109 /nfs/dbraw/zinc/18/61/09/888186109.db2.gz ZLIXACJNGDNQDZ-UWVGGRQHSA-N 1 2 297.359 -2.518 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CC[C@H]1CNC(=O)CN1CCNC(=O)C1 ZINC001380003653 888186118 /nfs/dbraw/zinc/18/61/18/888186118.db2.gz ZLIXACJNGDNQDZ-UWVGGRQHSA-N 1 2 297.359 -2.518 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CC[C@H]1CNC(=O)CCn1cnnn1 ZINC001380018688 888186241 /nfs/dbraw/zinc/18/62/41/888186241.db2.gz IZHLZNDFBCPTRA-IUCAKERBSA-N 1 2 281.320 -1.873 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CC[C@H]1CNC(=O)CCn1cnnn1 ZINC001380018688 888186246 /nfs/dbraw/zinc/18/62/46/888186246.db2.gz IZHLZNDFBCPTRA-IUCAKERBSA-N 1 2 281.320 -1.873 20 0 CAADLO O=C(Cn1cncn1)NC[C@H]1CC[N@@H+]1[C@@H]1CCNC1=O ZINC001380034738 888187863 /nfs/dbraw/zinc/18/78/63/888187863.db2.gz GQZMNBSZLAMQPO-NXEZZACHSA-N 1 2 278.316 -1.643 20 0 CAADLO O=C(Cn1cncn1)NC[C@H]1CC[N@H+]1[C@@H]1CCNC1=O ZINC001380034738 888187869 /nfs/dbraw/zinc/18/78/69/888187869.db2.gz GQZMNBSZLAMQPO-NXEZZACHSA-N 1 2 278.316 -1.643 20 0 CAADLO O=C(CCn1cnnn1)NC[C@H]1CC[N@@H+]1[C@@H]1CCNC1=O ZINC001380026747 888188685 /nfs/dbraw/zinc/18/86/85/888188685.db2.gz ZFUOGUFWCOSUMC-NXEZZACHSA-N 1 2 293.331 -1.858 20 0 CAADLO O=C(CCn1cnnn1)NC[C@H]1CC[N@H+]1[C@@H]1CCNC1=O ZINC001380026747 888188692 /nfs/dbraw/zinc/18/86/92/888188692.db2.gz ZFUOGUFWCOSUMC-NXEZZACHSA-N 1 2 293.331 -1.858 20 0 CAADLO CNC(=O)C[N@H+](CCNC(=O)c1cnn(C)c1)CCOC ZINC001380094022 888190274 /nfs/dbraw/zinc/19/02/74/888190274.db2.gz KXOSKXPMTJNYPN-UHFFFAOYSA-N 1 2 297.359 -1.156 20 0 CAADLO CNC(=O)C[N@@H+](CCNC(=O)c1cnn(C)c1)CCOC ZINC001380094022 888190283 /nfs/dbraw/zinc/19/02/83/888190283.db2.gz KXOSKXPMTJNYPN-UHFFFAOYSA-N 1 2 297.359 -1.156 20 0 CAADLO CNC(=O)[C@H](C)[N@H+](CCNC(=O)c1cnon1)CCOC ZINC001380113766 888193185 /nfs/dbraw/zinc/19/31/85/888193185.db2.gz TXAIWBVDAPWDDY-VIFPVBQESA-N 1 2 299.331 -1.118 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+](CCNC(=O)c1cnon1)CCOC ZINC001380113766 888193187 /nfs/dbraw/zinc/19/31/87/888193187.db2.gz TXAIWBVDAPWDDY-VIFPVBQESA-N 1 2 299.331 -1.118 20 0 CAADLO CNC(=O)C[N@H+](CCNC(=O)c1nonc1C)CCOC ZINC001380114705 888193269 /nfs/dbraw/zinc/19/32/69/888193269.db2.gz JDXHYJNUFGCDBS-UHFFFAOYSA-N 1 2 299.331 -1.198 20 0 CAADLO CNC(=O)C[N@@H+](CCNC(=O)c1nonc1C)CCOC ZINC001380114705 888193275 /nfs/dbraw/zinc/19/32/75/888193275.db2.gz JDXHYJNUFGCDBS-UHFFFAOYSA-N 1 2 299.331 -1.198 20 0 CAADLO COCC[N@H+](CCNC(=O)c1ccnnc1C)CC(N)=O ZINC001380104562 888193399 /nfs/dbraw/zinc/19/33/99/888193399.db2.gz NPKLYZNTIGNGDW-UHFFFAOYSA-N 1 2 295.343 -1.051 20 0 CAADLO COCC[N@@H+](CCNC(=O)c1ccnnc1C)CC(N)=O ZINC001380104562 888193405 /nfs/dbraw/zinc/19/34/05/888193405.db2.gz NPKLYZNTIGNGDW-UHFFFAOYSA-N 1 2 295.343 -1.051 20 0 CAADLO COCC[N@H+](CCNC(=O)[C@H]1COCCO1)CC(N)=O ZINC001380103381 888193525 /nfs/dbraw/zinc/19/35/25/888193525.db2.gz MTBWOZVSDSSYAF-SNVBAGLBSA-N 1 2 289.332 -2.048 20 0 CAADLO COCC[N@@H+](CCNC(=O)[C@H]1COCCO1)CC(N)=O ZINC001380103381 888193532 /nfs/dbraw/zinc/19/35/32/888193532.db2.gz MTBWOZVSDSSYAF-SNVBAGLBSA-N 1 2 289.332 -2.048 20 0 CAADLO Cn1nncc1C[NH2+]C1(CNC(=O)c2cnn[nH]2)CC1 ZINC001380113079 888193961 /nfs/dbraw/zinc/19/39/61/888193961.db2.gz FULMSLXZCQSEDE-UHFFFAOYSA-N 1 2 276.304 -1.015 20 0 CAADLO COCC[N@H+](CCNC(=O)[C@@H]1COCCO1)CC(N)=O ZINC001380103379 888194992 /nfs/dbraw/zinc/19/49/92/888194992.db2.gz MTBWOZVSDSSYAF-JTQLQIEISA-N 1 2 289.332 -2.048 20 0 CAADLO COCC[N@@H+](CCNC(=O)[C@@H]1COCCO1)CC(N)=O ZINC001380103379 888195004 /nfs/dbraw/zinc/19/50/04/888195004.db2.gz MTBWOZVSDSSYAF-JTQLQIEISA-N 1 2 289.332 -2.048 20 0 CAADLO O=C(NCC1([NH2+]Cc2ncccn2)CC1)[C@@H]1CNC(=O)N1 ZINC001380138501 888195030 /nfs/dbraw/zinc/19/50/30/888195030.db2.gz ZZSJNVDAYONRTM-VIFPVBQESA-N 1 2 290.327 -1.104 20 0 CAADLO O=C(NCC1([NH2+]Cc2ncccn2)CC1)[C@H]1CNC(=O)N1 ZINC001380138479 888195190 /nfs/dbraw/zinc/19/51/90/888195190.db2.gz ZZSJNVDAYONRTM-SECBINFHSA-N 1 2 290.327 -1.104 20 0 CAADLO COCC[N@H+](CCNC(=O)c1ccnn1C)CC(N)=O ZINC001380107240 888195472 /nfs/dbraw/zinc/19/54/72/888195472.db2.gz YCALVCFVAAXPPG-UHFFFAOYSA-N 1 2 283.332 -1.416 20 0 CAADLO COCC[N@@H+](CCNC(=O)c1ccnn1C)CC(N)=O ZINC001380107240 888195479 /nfs/dbraw/zinc/19/54/79/888195479.db2.gz YCALVCFVAAXPPG-UHFFFAOYSA-N 1 2 283.332 -1.416 20 0 CAADLO COCC(=O)NCCC(=O)N(C)C1C[NH+](CCO)C1 ZINC001380226100 888196416 /nfs/dbraw/zinc/19/64/16/888196416.db2.gz HUKSTFKQZWXKQB-UHFFFAOYSA-N 1 2 273.333 -1.726 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(N(C)C(=O)c2nnn(C)c2C)C1 ZINC001380219577 888197734 /nfs/dbraw/zinc/19/77/34/888197734.db2.gz SQEJAMQSYXNTJP-NSHDSACASA-N 1 2 297.359 -1.113 20 0 CAADLO Cn1nnc(C(=O)NC[C@]2(O)CC[N@H+](CC(N)=O)C2)n1 ZINC001380551157 888207212 /nfs/dbraw/zinc/20/72/12/888207212.db2.gz GZVNTBCFAJFGQJ-SNVBAGLBSA-N 1 2 283.292 -3.138 20 0 CAADLO Cn1nnc(C(=O)NC[C@]2(O)CC[N@@H+](CC(N)=O)C2)n1 ZINC001380551157 888207228 /nfs/dbraw/zinc/20/72/28/888207228.db2.gz GZVNTBCFAJFGQJ-SNVBAGLBSA-N 1 2 283.292 -3.138 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)c2n[nH]cc2F)C1 ZINC001380547777 888207768 /nfs/dbraw/zinc/20/77/68/888207768.db2.gz CDHNMEFTKVOHET-NSHDSACASA-N 1 2 285.279 -1.799 20 0 CAADLO NC(=O)C[N@H+]1CC[C@](O)(CNC(=O)c2n[nH]cc2F)C1 ZINC001380547777 888207777 /nfs/dbraw/zinc/20/77/77/888207777.db2.gz CDHNMEFTKVOHET-NSHDSACASA-N 1 2 285.279 -1.799 20 0 CAADLO Cn1nnc(C(=O)NC[C@@]2(O)CC[N@H+](CC(N)=O)C2)n1 ZINC001380551153 888208251 /nfs/dbraw/zinc/20/82/51/888208251.db2.gz GZVNTBCFAJFGQJ-JTQLQIEISA-N 1 2 283.292 -3.138 20 0 CAADLO Cn1nnc(C(=O)NC[C@@]2(O)CC[N@@H+](CC(N)=O)C2)n1 ZINC001380551153 888208260 /nfs/dbraw/zinc/20/82/60/888208260.db2.gz GZVNTBCFAJFGQJ-JTQLQIEISA-N 1 2 283.292 -3.138 20 0 CAADLO CC[C@@H](C[NH+]1CC(O)(CNC(=O)Cn2cnnn2)C1)OC ZINC001380568964 888209386 /nfs/dbraw/zinc/20/93/86/888209386.db2.gz GAQSZZMINQQZBP-JTQLQIEISA-N 1 2 298.347 -1.739 20 0 CAADLO COCC(=O)NCC1(O)C[NH+](C[C@@H](O)Cn2cccn2)C1 ZINC001380578870 888212500 /nfs/dbraw/zinc/21/25/00/888212500.db2.gz YOQPSSGHZSSHMI-LLVKDONJSA-N 1 2 298.343 -1.947 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(O)(CNC(=O)c2cnc(C)[nH]2)C1 ZINC001380580404 888212713 /nfs/dbraw/zinc/21/27/13/888212713.db2.gz ARRPEMQLDGMKJC-JTQLQIEISA-N 1 2 298.343 -1.498 20 0 CAADLO O=C(NCC1(O)C[NH+](CCCF)C1)[C@H]1COCCO1 ZINC001380574870 888212742 /nfs/dbraw/zinc/21/27/42/888212742.db2.gz JGGZNROAVNYZRM-SNVBAGLBSA-N 1 2 276.308 -1.076 20 0 CAADLO Cc1c(C(=O)NCC2(O)C[NH+](C[C@@H](C)O)C2)cnn1C ZINC001380574956 888212996 /nfs/dbraw/zinc/21/29/96/888212996.db2.gz BNTZWQIITUTCIF-SECBINFHSA-N 1 2 282.344 -1.114 20 0 CAADLO COC[C@H](O)C[NH+]1CC(O)(CNC(=O)c2cn[nH]c2)C1 ZINC001380571482 888213132 /nfs/dbraw/zinc/21/31/32/888213132.db2.gz OSIZEYUKAWYTCE-SNVBAGLBSA-N 1 2 284.316 -1.807 20 0 CAADLO COC[C@H](O)C[NH+]1CC(O)(CNC(=O)c2cnc(C)[nH]2)C1 ZINC001380580406 888213643 /nfs/dbraw/zinc/21/36/43/888213643.db2.gz ARRPEMQLDGMKJC-SNVBAGLBSA-N 1 2 298.343 -1.498 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(O)(CNC(=O)Cc2cc[nH]n2)C1 ZINC001380575812 888213770 /nfs/dbraw/zinc/21/37/70/888213770.db2.gz AENOPIAFYBXPKG-NSHDSACASA-N 1 2 298.343 -1.878 20 0 CAADLO COC[C@@H](C)[NH+]1CC(O)(CNC(=O)CCc2nnc[nH]2)C1 ZINC001380581346 888214226 /nfs/dbraw/zinc/21/42/26/888214226.db2.gz DXMSGEKMYTWRMA-SNVBAGLBSA-N 1 2 297.359 -1.065 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(O)(CNC(=O)c2cn[nH]c2)C1 ZINC001380571478 888214378 /nfs/dbraw/zinc/21/43/78/888214378.db2.gz OSIZEYUKAWYTCE-JTQLQIEISA-N 1 2 284.316 -1.807 20 0 CAADLO CN1C[C@H](C(=O)NCC2(O)C[NH+](CCCO)C2)CC1=O ZINC001380596536 888215992 /nfs/dbraw/zinc/21/59/92/888215992.db2.gz AHUVNHPSZOAIAC-SNVBAGLBSA-N 1 2 285.344 -1.990 20 0 CAADLO C[C@@H](O)C[NH+]1CC(O)(CNC(=O)CO[C@@H]2CCOC2)C1 ZINC001380595516 888216178 /nfs/dbraw/zinc/21/61/78/888216178.db2.gz AATDHWBWLOHDKE-GHMZBOCLSA-N 1 2 288.344 -1.664 20 0 CAADLO Cc1nnccc1C(=O)NCC1(O)C[NH+](C[C@H](C)O)C1 ZINC001380597149 888216649 /nfs/dbraw/zinc/21/66/49/888216649.db2.gz CRULELCLZOULQE-VIFPVBQESA-N 1 2 280.328 -1.058 20 0 CAADLO O=C(NCC1(O)CN(CCO)C1)[C@H]1CCn2c[nH+]cc2C1 ZINC001380596553 888217431 /nfs/dbraw/zinc/21/74/31/888217431.db2.gz CPRWJCCZZBLTRJ-NSHDSACASA-N 1 2 294.355 -1.399 20 0 CAADLO Cn1cnn(CC(=O)NCC2(O)C[NH+](CCCO)C2)c1=O ZINC001380598208 888218355 /nfs/dbraw/zinc/21/83/55/888218355.db2.gz JMYYZJNCSUWNRT-UHFFFAOYSA-N 1 2 299.331 -2.873 20 0 CAADLO C[C@H](O)C[NH+]1CC(O)(CNC(=O)C[C@H]2CCC(=O)NC2)C1 ZINC001380626571 888220099 /nfs/dbraw/zinc/22/00/99/888220099.db2.gz QEQKOBXWAKUIGH-WDEREUQCSA-N 1 2 299.371 -1.554 20 0 CAADLO O=C(C[C@H]1CCCC(=O)N1)NCC1(O)C[NH+](CCCO)C1 ZINC001380603119 888220747 /nfs/dbraw/zinc/22/07/47/888220747.db2.gz ZTAHZBRKYRKZMA-LLVKDONJSA-N 1 2 299.371 -1.410 20 0 CAADLO C[C@H]1CO[C@H](C(=O)NCC2(O)C[NH+](CCCO)C2)C1 ZINC001380607098 888221184 /nfs/dbraw/zinc/22/11/84/888221184.db2.gz OOPHXOWJDOHBII-MNOVXSKESA-N 1 2 272.345 -1.043 20 0 CAADLO C[C@@H](O)C[NH+]1CC(O)(CNC(=O)C[C@@H]2CCC(=O)NC2)C1 ZINC001380626567 888221758 /nfs/dbraw/zinc/22/17/58/888221758.db2.gz QEQKOBXWAKUIGH-MNOVXSKESA-N 1 2 299.371 -1.554 20 0 CAADLO O=C(NCC1(O)C[NH+](C[C@H]2CCOC2)C1)c1nnc[nH]1 ZINC001380627372 888223259 /nfs/dbraw/zinc/22/32/59/888223259.db2.gz FBSKLCDBXQZEDL-SECBINFHSA-N 1 2 281.316 -1.382 20 0 CAADLO O=C(NCC1(O)C[NH+](C[C@H]2CCOC2)C1)c1ncn[nH]1 ZINC001380627372 888223272 /nfs/dbraw/zinc/22/32/72/888223272.db2.gz FBSKLCDBXQZEDL-SECBINFHSA-N 1 2 281.316 -1.382 20 0 CAADLO COC[C@H](O)C[NH+]1CC(O)(CNC(=O)c2cccnn2)C1 ZINC001380630296 888224510 /nfs/dbraw/zinc/22/45/10/888224510.db2.gz DHHWFKBRNVWIIJ-SNVBAGLBSA-N 1 2 296.327 -1.740 20 0 CAADLO COC[C@H](O)C[NH+]1CC(O)(CNC(=O)Cc2ccco2)C1 ZINC001380632863 888224699 /nfs/dbraw/zinc/22/46/99/888224699.db2.gz LWZGICPOJIICSC-LLVKDONJSA-N 1 2 298.339 -1.008 20 0 CAADLO C[C@@H](O)C[NH+]1CC(O)(CNC(=O)CCc2cnn(C)c2)C1 ZINC001380647786 888225650 /nfs/dbraw/zinc/22/56/50/888225650.db2.gz DCSBTFWXHGMXPS-LLVKDONJSA-N 1 2 296.371 -1.104 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@](CO)(NC(=O)Cn2cccn2)C1 ZINC001380729575 888226177 /nfs/dbraw/zinc/22/61/77/888226177.db2.gz GHAAEFYDRXSOPJ-ZDUSSCGKSA-N 1 2 295.343 -1.689 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@](CO)(NC(=O)Cn2cccn2)C1 ZINC001380729575 888226189 /nfs/dbraw/zinc/22/61/89/888226189.db2.gz GHAAEFYDRXSOPJ-ZDUSSCGKSA-N 1 2 295.343 -1.689 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@@](CO)(NC(=O)Cn2cccn2)C1 ZINC001380729574 888226975 /nfs/dbraw/zinc/22/69/75/888226975.db2.gz GHAAEFYDRXSOPJ-CYBMUJFWSA-N 1 2 295.343 -1.689 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@@](CO)(NC(=O)Cn2cccn2)C1 ZINC001380729574 888226988 /nfs/dbraw/zinc/22/69/88/888226988.db2.gz GHAAEFYDRXSOPJ-CYBMUJFWSA-N 1 2 295.343 -1.689 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@](CO)(NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001380748993 888228237 /nfs/dbraw/zinc/22/82/37/888228237.db2.gz MYSHNKCYMWRUDL-PELKAZGASA-N 1 2 299.331 -2.904 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@](CO)(NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001380748993 888228252 /nfs/dbraw/zinc/22/82/52/888228252.db2.gz MYSHNKCYMWRUDL-PELKAZGASA-N 1 2 299.331 -2.904 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@@](CO)(NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001380748995 888228949 /nfs/dbraw/zinc/22/89/49/888228949.db2.gz MYSHNKCYMWRUDL-PRHODGIISA-N 1 2 299.331 -2.904 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@@](CO)(NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001380748995 888228964 /nfs/dbraw/zinc/22/89/64/888228964.db2.gz MYSHNKCYMWRUDL-PRHODGIISA-N 1 2 299.331 -2.904 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@](CO)(NC(=O)C[C@@H]2CCCO2)C1 ZINC001380738490 888229060 /nfs/dbraw/zinc/22/90/60/888229060.db2.gz XXMRJPHGOIYBMX-FZMZJTMJSA-N 1 2 299.371 -1.016 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@](CO)(NC(=O)C[C@@H]2CCCO2)C1 ZINC001380738490 888229073 /nfs/dbraw/zinc/22/90/73/888229073.db2.gz XXMRJPHGOIYBMX-FZMZJTMJSA-N 1 2 299.371 -1.016 20 0 CAADLO COC(=O)NCC(=O)NC[C@H]1COCC[N@@H+]1C[C@H](C)O ZINC001380818720 888231061 /nfs/dbraw/zinc/23/10/61/888231061.db2.gz VOEPUAUPUYSIMH-UWVGGRQHSA-N 1 2 289.332 -1.460 20 0 CAADLO COC(=O)NCC(=O)NC[C@H]1COCC[N@H+]1C[C@H](C)O ZINC001380818720 888231072 /nfs/dbraw/zinc/23/10/72/888231072.db2.gz VOEPUAUPUYSIMH-UWVGGRQHSA-N 1 2 289.332 -1.460 20 0 CAADLO CC(=O)N1CC[C@H]([NH+]2CCN(CC(=O)NC(N)=O)CC2)C1 ZINC001380908828 888234381 /nfs/dbraw/zinc/23/43/81/888234381.db2.gz ASPYDIHELZUJBP-NSHDSACASA-N 1 2 297.359 -1.580 20 0 CAADLO CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)Cc2ncn[nH]2)CCO1 ZINC001380916752 888235861 /nfs/dbraw/zinc/23/58/61/888235861.db2.gz VQRKSTGWFNZHNW-SECBINFHSA-N 1 2 296.331 -2.090 20 0 CAADLO CNC(=O)C[NH2+]C[C@H]1CN(C(=O)Cc2ncn[nH]2)CCO1 ZINC001380916940 888238308 /nfs/dbraw/zinc/23/83/08/888238308.db2.gz VQRKSTGWFNZHNW-VIFPVBQESA-N 1 2 296.331 -2.090 20 0 CAADLO CC(=O)NCC(=O)N1C[C@@H](C)[C@@H]([NH2+]Cc2nnn(C)n2)C1 ZINC001381104184 888245739 /nfs/dbraw/zinc/24/57/39/888245739.db2.gz MQQIKXJBYDPBJW-SCZZXKLOSA-N 1 2 295.347 -1.717 20 0 CAADLO C[C@@H](NC(=O)c1cnnn1C)[C@H](C)[NH2+]Cc1nnn(C)n1 ZINC001381361551 888250568 /nfs/dbraw/zinc/25/05/68/888250568.db2.gz JRDMJOXUVNJUHN-JGVFFNPUSA-N 1 2 293.335 -1.365 20 0 CAADLO O=C(CCn1cnnn1)NC1(CCO)C[NH+](CCCO)C1 ZINC001381677241 888260385 /nfs/dbraw/zinc/26/03/85/888260385.db2.gz AGNSPLHMGDAOKJ-UHFFFAOYSA-N 1 2 298.347 -2.001 20 0 CAADLO C[C@@H](O)C[NH+]1CC(CCO)(NC(=O)c2cnn(C)c2N)C1 ZINC001381652394 888260736 /nfs/dbraw/zinc/26/07/36/888260736.db2.gz HHKKNIOOVZUWMO-SECBINFHSA-N 1 2 297.359 -1.450 20 0 CAADLO CCn1cc(C(=O)NC2(CCO)C[NH+](CCCO)C2)nn1 ZINC001381682625 888261003 /nfs/dbraw/zinc/26/10/03/888261003.db2.gz VCKMLSZGVMHWQS-UHFFFAOYSA-N 1 2 297.359 -1.153 20 0 CAADLO C[C@H](O)CN1CC(CCO)(NC(=O)Cn2cc[nH+]c2)C1 ZINC001381684088 888261158 /nfs/dbraw/zinc/26/11/58/888261158.db2.gz DUTBSHBIZORXBU-NSHDSACASA-N 1 2 282.344 -1.183 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(CCO)(NC(=O)[C@@H](C)OC)C1 ZINC001381641209 888261359 /nfs/dbraw/zinc/26/13/59/888261359.db2.gz DCPCUWBYSCSTKX-MNOVXSKESA-N 1 2 290.360 -1.418 20 0 CAADLO O=C(Cn1ncnn1)NC1(CCO)C[NH+](CCCO)C1 ZINC001381653518 888261763 /nfs/dbraw/zinc/26/17/63/888261763.db2.gz AIZBEOAUHPIVPB-UHFFFAOYSA-N 1 2 284.320 -2.392 20 0 CAADLO COCC[NH+]1CC(CCO)(NC(=O)[C@@H](C)CC(N)=O)C1 ZINC001381666331 888261801 /nfs/dbraw/zinc/26/18/01/888261801.db2.gz OXNGQFWEACYXIK-JTQLQIEISA-N 1 2 287.360 -1.303 20 0 CAADLO CO[C@H](C)C[NH+]1CC(CCO)(NC(=O)Cn2ncnn2)C1 ZINC001381658515 888261877 /nfs/dbraw/zinc/26/18/77/888261877.db2.gz NHQBETNSTYDTBN-SNVBAGLBSA-N 1 2 298.347 -1.739 20 0 CAADLO CCN1CC(CCO)(NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001381662337 888261951 /nfs/dbraw/zinc/26/19/51/888261951.db2.gz OHNJNDHRJFNAGC-LLVKDONJSA-N 1 2 271.361 -1.110 20 0 CAADLO CCN1CC(CCO)(NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001381662337 888261968 /nfs/dbraw/zinc/26/19/68/888261968.db2.gz OHNJNDHRJFNAGC-LLVKDONJSA-N 1 2 271.361 -1.110 20 0 CAADLO Cc1nnc(CC(=O)NC2(CCO)C[NH+](CCCO)C2)o1 ZINC001381652893 888262086 /nfs/dbraw/zinc/26/20/86/888262086.db2.gz KXSDQWGLPSOGCB-UHFFFAOYSA-N 1 2 298.343 -1.144 20 0 CAADLO COCC[NH+]1CC(CCO)(NC(=O)[C@H](C)CC(N)=O)C1 ZINC001381666333 888262221 /nfs/dbraw/zinc/26/22/21/888262221.db2.gz OXNGQFWEACYXIK-SNVBAGLBSA-N 1 2 287.360 -1.303 20 0 CAADLO O=C(CC1(O)CCC1)NC1(CCO)C[NH+](CCO)C1 ZINC001381655143 888262351 /nfs/dbraw/zinc/26/23/51/888262351.db2.gz GGHGDUHJIHSWMZ-UHFFFAOYSA-N 1 2 272.345 -1.163 20 0 CAADLO CC(=O)N[C@@H](C)C(=O)NC1(CCO)C[NH+](CCO)C1 ZINC001381674457 888262414 /nfs/dbraw/zinc/26/24/14/888262414.db2.gz NQTZAGBOKZKQHJ-VIFPVBQESA-N 1 2 273.333 -1.944 20 0 CAADLO CC(=O)N[C@@H](C)C(=O)NC1(CCO)C[NH+](CCCO)C1 ZINC001381677933 888262480 /nfs/dbraw/zinc/26/24/80/888262480.db2.gz SUPKQHGUUOEHFP-JTQLQIEISA-N 1 2 287.360 -1.554 20 0 CAADLO C[C@@H](O)C[NH+]1CC(CCO)(NC(=O)[C@H]2CCCC(=O)N2)C1 ZINC001381654591 888262808 /nfs/dbraw/zinc/26/28/08/888262808.db2.gz ALXRESAUOIKRRV-GHMZBOCLSA-N 1 2 299.371 -1.411 20 0 CAADLO C[C@H](O)C[NH+]1CC(CCO)(NC(=O)[C@H]2COCCO2)C1 ZINC001381632578 888262911 /nfs/dbraw/zinc/26/29/11/888262911.db2.gz CVTSILYGSAIFEA-WDEREUQCSA-N 1 2 288.344 -1.664 20 0 CAADLO O=C(CCCn1cncn1)NC1(CCO)C[NH+](CCO)C1 ZINC001381681292 888263415 /nfs/dbraw/zinc/26/34/15/888263415.db2.gz RVCYHFCUBCJXTR-UHFFFAOYSA-N 1 2 297.359 -1.396 20 0 CAADLO CNC(=O)NCC(=O)N[C@@H]1C[N@H+](CC(N)=O)CC1(C)C ZINC001381853685 888264791 /nfs/dbraw/zinc/26/47/91/888264791.db2.gz LBQZNQRGGAWSKB-MRVPVSSYSA-N 1 2 285.348 -1.773 20 0 CAADLO CNC(=O)NCC(=O)N[C@@H]1C[N@@H+](CC(N)=O)CC1(C)C ZINC001381853685 888264804 /nfs/dbraw/zinc/26/48/04/888264804.db2.gz LBQZNQRGGAWSKB-MRVPVSSYSA-N 1 2 285.348 -1.773 20 0 CAADLO C[C@@H](NC(=O)[C@H]1CCOC1)C1C[NH+](CC(=O)NC(N)=O)C1 ZINC001381774959 888265369 /nfs/dbraw/zinc/26/53/69/888265369.db2.gz TVTSRZQPSXQZQA-BDAKNGLRSA-N 1 2 298.343 -1.346 20 0 CAADLO CNC(=O)C[NH+]1CC([C@H](C)NC(=O)[C@H](C)CC(N)=O)C1 ZINC001381806090 888265650 /nfs/dbraw/zinc/26/56/50/888265650.db2.gz QEDRQWQPOQKMIB-BDAKNGLRSA-N 1 2 284.360 -1.320 20 0 CAADLO CNC(=O)NCC(=O)N[C@H]1C[N@H+](CC(N)=O)CC1(C)C ZINC001381853693 888266439 /nfs/dbraw/zinc/26/64/39/888266439.db2.gz LBQZNQRGGAWSKB-QMMMGPOBSA-N 1 2 285.348 -1.773 20 0 CAADLO CNC(=O)NCC(=O)N[C@H]1C[N@@H+](CC(N)=O)CC1(C)C ZINC001381853693 888266452 /nfs/dbraw/zinc/26/64/52/888266452.db2.gz LBQZNQRGGAWSKB-QMMMGPOBSA-N 1 2 285.348 -1.773 20 0 CAADLO C[C@@H](NC(=O)C[C@H]1CCCC(=O)N1)C1C[NH+](CC(N)=O)C1 ZINC001381796877 888267130 /nfs/dbraw/zinc/26/71/30/888267130.db2.gz BZQJLLHEGKZUEF-MWLCHTKSSA-N 1 2 296.371 -1.033 20 0 CAADLO CCNC(=O)C[NH+]1CC([C@@H](C)NC(=O)c2nnn(C)n2)C1 ZINC001381802313 888267241 /nfs/dbraw/zinc/26/72/41/888267241.db2.gz KFBPXLPCPDFOFW-MRVPVSSYSA-N 1 2 295.347 -1.604 20 0 CAADLO C[C@H](NC(=O)Cc1nc[nH]n1)C1C[NH+]([C@H]2CCNC2=O)C1 ZINC001381808287 888267690 /nfs/dbraw/zinc/26/76/90/888267690.db2.gz IEHXKSJGSDGDEC-WPRPVWTQSA-N 1 2 292.343 -1.328 20 0 CAADLO CNC(=O)CCCC(=O)N[C@H](C)C1C[NH+](CC(N)=O)C1 ZINC001381787032 888267784 /nfs/dbraw/zinc/26/77/84/888267784.db2.gz GLWFQJWMPMHZQE-SECBINFHSA-N 1 2 284.360 -1.176 20 0 CAADLO CC[NH+]1CC(CCO)(NC(=O)Cn2nc(C)n(C)c2=O)C1 ZINC001381688060 888267838 /nfs/dbraw/zinc/26/78/38/888267838.db2.gz MLMZUBIIHPRZBF-UHFFFAOYSA-N 1 2 297.359 -1.537 20 0 CAADLO CN1C(=O)CCC[C@H]1C(=O)NC1(CCO)C[NH+](CCO)C1 ZINC001381688350 888268359 /nfs/dbraw/zinc/26/83/59/888268359.db2.gz MTTDGHGXXGNZLZ-NSHDSACASA-N 1 2 299.371 -1.457 20 0 CAADLO CNC(=O)C[NH2+]C[C@H](C1CC1)N(C)C(=O)Cc1ncn[nH]1 ZINC001382031940 888274506 /nfs/dbraw/zinc/27/45/06/888274506.db2.gz MLJZUPUTOMAMMN-SNVBAGLBSA-N 1 2 294.359 -1.080 20 0 CAADLO CC(=O)NCC(=O)NC[C@H](CO)[NH2+]Cc1nccs1 ZINC001382170175 888278391 /nfs/dbraw/zinc/27/83/91/888278391.db2.gz FBUIANFATUASFZ-SECBINFHSA-N 1 2 286.357 -1.154 20 0 CAADLO CC(=O)NC[C@H](CO)[NH2+]Cc1cn(C[C@H]2CCOC2)nn1 ZINC001382168557 888278528 /nfs/dbraw/zinc/27/85/28/888278528.db2.gz OWQDJYMHPOIYPU-DGCLKSJQSA-N 1 2 297.359 -1.099 20 0 CAADLO CC(=O)N[C@@H](C)C(=O)NC[C@H](CO)[NH2+]Cc1nonc1C ZINC001382169505 888282374 /nfs/dbraw/zinc/28/23/74/888282374.db2.gz CJHDSQOCWMLHAC-WCBMZHEXSA-N 1 2 299.331 -1.531 20 0 CAADLO CC[C@@H](OC)C(=O)NC[C@H](CO)[NH2+]Cc1nnnn1C ZINC001382179450 888285573 /nfs/dbraw/zinc/28/55/73/888285573.db2.gz DIZOUQMNTOERNM-RKDXNWHRSA-N 1 2 286.336 -1.798 20 0 CAADLO Cn1nnnc1C[NH2+][C@H](CO)CNC(=O)c1cnccn1 ZINC001382178165 888285649 /nfs/dbraw/zinc/28/56/49/888285649.db2.gz TUROHQRHGMTCQF-QMMMGPOBSA-N 1 2 292.303 -2.119 20 0 CAADLO O=C(NC[C@H](CO)[NH2+]Cc1ccon1)[C@@H]1COC(=O)N1 ZINC001382186887 888288137 /nfs/dbraw/zinc/28/81/37/888288137.db2.gz GXCOFAAVXQEOHB-BDAKNGLRSA-N 1 2 284.272 -1.650 20 0 CAADLO CC(C)[C@@H](O)C(=O)NC[C@@H](CO)[NH2+]Cc1cnn(C)n1 ZINC001382184793 888288379 /nfs/dbraw/zinc/28/83/79/888288379.db2.gz BDCVOZIDXIMLLN-WDEREUQCSA-N 1 2 285.348 -1.601 20 0 CAADLO Cn1cnnc1C[NH2+][C@H](CO)CNC(=O)[C@@H]1CCOC1 ZINC001382183989 888288446 /nfs/dbraw/zinc/28/84/46/888288446.db2.gz DAEZESHYEGALOF-ZJUUUORDSA-N 1 2 283.332 -1.582 20 0 CAADLO Cn1nnnc1C[NH2+][C@@H](CO)CNC(=O)C[C@@H]1CCCO1 ZINC001382185467 888289225 /nfs/dbraw/zinc/28/92/25/888289225.db2.gz KGMPNSDGIGNQSQ-ZJUUUORDSA-N 1 2 298.347 -1.654 20 0 CAADLO Cn1ncc(C[NH2+][C@@H](CO)CNC(=O)[C@H]2COCCO2)n1 ZINC001382185276 888289886 /nfs/dbraw/zinc/28/98/86/888289886.db2.gz JWHAHTAPEXFFFD-GHMZBOCLSA-N 1 2 299.331 -2.203 20 0 CAADLO Cn1cnnc1C[NH2+][C@@H](CO)CNC(=O)[C@H]1CCOC1 ZINC001382183986 888290539 /nfs/dbraw/zinc/29/05/39/888290539.db2.gz DAEZESHYEGALOF-VHSXEESVSA-N 1 2 283.332 -1.582 20 0 CAADLO O=C(NC[C@H](CO)[NH2+]Cc1ccon1)[C@H]1COC(=O)N1 ZINC001382186905 888290654 /nfs/dbraw/zinc/29/06/54/888290654.db2.gz GXCOFAAVXQEOHB-RKDXNWHRSA-N 1 2 284.272 -1.650 20 0 CAADLO Cn1ncc(C[NH2+][C@H](CO)CNC(=O)[C@@H]2COCCO2)n1 ZINC001382185283 888291173 /nfs/dbraw/zinc/29/11/73/888291173.db2.gz JWHAHTAPEXFFFD-QWRGUYRKSA-N 1 2 299.331 -2.203 20 0 CAADLO Cn1cnnc1C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCOC1 ZINC001382183977 888291269 /nfs/dbraw/zinc/29/12/69/888291269.db2.gz DAEZESHYEGALOF-NXEZZACHSA-N 1 2 283.332 -1.582 20 0 CAADLO Cn1nnnc1C[NH2+][C@H](CO)CNC(=O)C[C@H]1CCCO1 ZINC001382185464 888291565 /nfs/dbraw/zinc/29/15/65/888291565.db2.gz KGMPNSDGIGNQSQ-VHSXEESVSA-N 1 2 298.347 -1.654 20 0 CAADLO Cn1cnnc1C[NH2+][C@H](CO)CNC(=O)[C@H]1CCOC1 ZINC001382183982 888291630 /nfs/dbraw/zinc/29/16/30/888291630.db2.gz DAEZESHYEGALOF-UWVGGRQHSA-N 1 2 283.332 -1.582 20 0 CAADLO Cn1[nH]c(C[NH2+][C@@H](CO)CNC(=O)[C@H]2CC2(C)C)nc1=O ZINC001382191441 888293146 /nfs/dbraw/zinc/29/31/46/888293146.db2.gz KWLLZBJSOYGILO-RKDXNWHRSA-N 1 2 297.359 -1.279 20 0 CAADLO Cn1ncc(C[NH2+][C@@H](CO)CNC(=O)CC(C)(C)O)n1 ZINC001382190956 888293813 /nfs/dbraw/zinc/29/38/13/888293813.db2.gz RLVHUKIUCBNWOT-SNVBAGLBSA-N 1 2 285.348 -1.457 20 0 CAADLO Cn1ncc(C(=O)NC[C@@H](CO)[NH2+]Cc2ccon2)c1N ZINC001382190335 888294434 /nfs/dbraw/zinc/29/44/34/888294434.db2.gz IYRDUKZBRVDFQF-VIFPVBQESA-N 1 2 294.315 -1.129 20 0 CAADLO Cc1ncoc1C(=O)NC[C@H](CO)[NH2+]Cc1cnn(C)n1 ZINC001382188626 888294491 /nfs/dbraw/zinc/29/44/91/888294491.db2.gz LDMAEYPCASVYRM-SNVBAGLBSA-N 1 2 294.315 -1.008 20 0 CAADLO Nc1nccnc1C(=O)NC[C@H](CO)[NH2+]Cc1ccon1 ZINC001382192932 888295485 /nfs/dbraw/zinc/29/54/85/888295485.db2.gz KMKVRDDJBKHCRH-SECBINFHSA-N 1 2 292.299 -1.073 20 0 CAADLO Cc1ncoc1C(=O)NC[C@@H](CO)[NH2+]Cc1cnn(C)n1 ZINC001382188623 888295596 /nfs/dbraw/zinc/29/55/96/888295596.db2.gz LDMAEYPCASVYRM-JTQLQIEISA-N 1 2 294.315 -1.008 20 0 CAADLO CO[C@@H](C)CC(=O)NC[C@H](CO)[NH2+]Cc1cn(C)nn1 ZINC001382188377 888295756 /nfs/dbraw/zinc/29/57/56/888295756.db2.gz VEXYHJKUNMWJOV-GXSJLCMTSA-N 1 2 285.348 -1.193 20 0 CAADLO Cc1cc(C(=O)NC[C@H](CO)[NH2+]Cc2nncn2C)[nH]n1 ZINC001382196903 888301329 /nfs/dbraw/zinc/30/13/29/888301329.db2.gz ZYRRVHVTHOCHPH-SECBINFHSA-N 1 2 293.331 -1.273 20 0 CAADLO Cc1cc(C(=O)NC[C@@H](CO)[NH2+]Cc2nncn2C)[nH]n1 ZINC001382196904 888301526 /nfs/dbraw/zinc/30/15/26/888301526.db2.gz ZYRRVHVTHOCHPH-VIFPVBQESA-N 1 2 293.331 -1.273 20 0 CAADLO COC1CC(C(=O)NC[C@@H](CO)[NH2+]Cc2nncn2C)C1 ZINC001382215575 888304679 /nfs/dbraw/zinc/30/46/79/888304679.db2.gz UIWBVGLEWJTIOD-YVNMAJEFSA-N 1 2 297.359 -1.193 20 0 CAADLO Cn1cc(C[NH2+][C@H](CO)CNC(=O)c2cn[nH]n2)nn1 ZINC001382226191 888308621 /nfs/dbraw/zinc/30/86/21/888308621.db2.gz YPSVDEDMULJTBV-QMMMGPOBSA-N 1 2 280.292 -2.186 20 0 CAADLO Cc1c[nH]c(C(=O)NC[C@@H](CO)[NH2+]Cc2ncnn2C)n1 ZINC001382248979 888313823 /nfs/dbraw/zinc/31/38/23/888313823.db2.gz DZXPPXUHCZKNKO-VIFPVBQESA-N 1 2 293.331 -1.273 20 0 CAADLO Cc1conc1C[NH2+][C@H](CO)CNC(=O)c1cnn(C)n1 ZINC001382247936 888315372 /nfs/dbraw/zinc/31/53/72/888315372.db2.gz CSBJDJDTSQPQLW-VIFPVBQESA-N 1 2 294.315 -1.008 20 0 CAADLO Cc1nocc1C[NH2+][C@@H](CO)CNC(=O)c1nnc[nH]1 ZINC001382262284 888317688 /nfs/dbraw/zinc/31/76/88/888317688.db2.gz YKMHWAYUGRVGGT-SECBINFHSA-N 1 2 280.288 -1.018 20 0 CAADLO Cc1nocc1C[NH2+][C@@H](CO)CNC(=O)c1ncn[nH]1 ZINC001382262284 888317699 /nfs/dbraw/zinc/31/76/99/888317699.db2.gz YKMHWAYUGRVGGT-SECBINFHSA-N 1 2 280.288 -1.018 20 0 CAADLO Cc1c[nH]c(C(=O)NC[C@@H](CO)[NH2+]Cc2cnn(C)n2)n1 ZINC001382255256 888317856 /nfs/dbraw/zinc/31/78/56/888317856.db2.gz NRCQRLSIHROXNJ-JTQLQIEISA-N 1 2 293.331 -1.273 20 0 CAADLO CCNC(=O)C[NH2+][C@H](CO)CNC(=O)C1=NC(=O)N(C)C1 ZINC001382258088 888317917 /nfs/dbraw/zinc/31/79/17/888317917.db2.gz UPEKJXHUUFYOKE-QMMMGPOBSA-N 1 2 299.331 -2.058 20 0 CAADLO NC(=O)C[NH2+][C@@H](CO)CNC(=O)c1n[nH]c2ccccc21 ZINC001382286494 888327517 /nfs/dbraw/zinc/32/75/17/888327517.db2.gz PXWJDGPJPVRVGE-MRVPVSSYSA-N 1 2 291.311 -1.272 20 0 CAADLO CC(=O)NCC(=O)N1CC[C@H]([NH2+]Cc2nnn(C)n2)[C@H]1C ZINC001382286134 888328079 /nfs/dbraw/zinc/32/80/79/888328079.db2.gz KMOHDUAEPKWMQE-SCZZXKLOSA-N 1 2 295.347 -1.575 20 0 CAADLO Cc1nonc1C(=O)NC[C@H](CO)[NH2+]Cc1cnn(C)n1 ZINC001382282623 888328325 /nfs/dbraw/zinc/32/83/25/888328325.db2.gz GCPHSLIILRQXNI-SECBINFHSA-N 1 2 295.303 -1.613 20 0 CAADLO Cn1cnnc1CN[C@@H](CO)CNC(=O)Cn1cc[nH+]c1 ZINC001382289565 888330477 /nfs/dbraw/zinc/33/04/77/888330477.db2.gz QOPMHPOQIOMNJL-SNVBAGLBSA-N 1 2 293.331 -1.722 20 0 CAADLO CN(C[C@@H](O)C[NH2+]Cc1ncnn1C)C(=O)c1ccn[nH]1 ZINC001382384647 888345559 /nfs/dbraw/zinc/34/55/59/888345559.db2.gz FZGXAYMKUWTXMY-VIFPVBQESA-N 1 2 293.331 -1.239 20 0 CAADLO CCC(=O)N(C)C[C@H](O)C[N@H+](C)Cc1nc(=O)n(C)[nH]1 ZINC001382434586 888358136 /nfs/dbraw/zinc/35/81/36/888358136.db2.gz XXCFRSACSMVQIK-SECBINFHSA-N 1 2 285.348 -1.231 20 0 CAADLO CCC(=O)N(C)C[C@H](O)C[N@@H+](C)Cc1nc(=O)n(C)[nH]1 ZINC001382434586 888358152 /nfs/dbraw/zinc/35/81/52/888358152.db2.gz XXCFRSACSMVQIK-SECBINFHSA-N 1 2 285.348 -1.231 20 0 CAADLO CC(C)N(CC[N@H+](C)CC(N)=O)C(=O)CCn1cnnn1 ZINC001382503207 888365618 /nfs/dbraw/zinc/36/56/18/888365618.db2.gz RSFCOBRQJYWNFY-UHFFFAOYSA-N 1 2 297.363 -1.283 20 0 CAADLO CC(C)N(CC[N@@H+](C)CC(N)=O)C(=O)CCn1cnnn1 ZINC001382503207 888365633 /nfs/dbraw/zinc/36/56/33/888365633.db2.gz RSFCOBRQJYWNFY-UHFFFAOYSA-N 1 2 297.363 -1.283 20 0 CAADLO Cn1c[nH+]cc1CC(=O)NC[C@H](CO)NC(=O)C1CC1 ZINC001382522667 888366112 /nfs/dbraw/zinc/36/61/12/888366112.db2.gz OXKRTLQMLKJLOL-SNVBAGLBSA-N 1 2 280.328 -1.034 20 0 CAADLO Cn1c[nH+]cc1CC(=O)NC[C@@H](CO)NC(=O)C1CC1 ZINC001382522662 888368503 /nfs/dbraw/zinc/36/85/03/888368503.db2.gz OXKRTLQMLKJLOL-JTQLQIEISA-N 1 2 280.328 -1.034 20 0 CAADLO CNC(=O)C[N@H+](CCNC(=O)c1cn(C)cn1)CCOC ZINC001382545035 888369423 /nfs/dbraw/zinc/36/94/23/888369423.db2.gz PMPLFXUBAUHHHW-UHFFFAOYSA-N 1 2 297.359 -1.156 20 0 CAADLO CNC(=O)C[N@@H+](CCNC(=O)c1cn(C)cn1)CCOC ZINC001382545035 888369437 /nfs/dbraw/zinc/36/94/37/888369437.db2.gz PMPLFXUBAUHHHW-UHFFFAOYSA-N 1 2 297.359 -1.156 20 0 CAADLO CNC(=O)C[N@H+](CCNC(=O)c1ncn(C)n1)CCOC ZINC001382542765 888371674 /nfs/dbraw/zinc/37/16/74/888371674.db2.gz GFKJQGSCELMOGZ-UHFFFAOYSA-N 1 2 298.347 -1.761 20 0 CAADLO CNC(=O)C[N@@H+](CCNC(=O)c1ncn(C)n1)CCOC ZINC001382542765 888371684 /nfs/dbraw/zinc/37/16/84/888371684.db2.gz GFKJQGSCELMOGZ-UHFFFAOYSA-N 1 2 298.347 -1.761 20 0 CAADLO COCC[N@H+](CCNC(=O)[C@H]1CCOC1)[C@H](C)C(N)=O ZINC001382545183 888371781 /nfs/dbraw/zinc/37/17/81/888371781.db2.gz RRMIOBVPLIQISM-MNOVXSKESA-N 1 2 287.360 -1.039 20 0 CAADLO COCC[N@@H+](CCNC(=O)[C@H]1CCOC1)[C@H](C)C(N)=O ZINC001382545183 888371795 /nfs/dbraw/zinc/37/17/95/888371795.db2.gz RRMIOBVPLIQISM-MNOVXSKESA-N 1 2 287.360 -1.039 20 0 CAADLO O=C(Cc1[nH]cc[nH+]1)NC[C@H](CO)NC(=O)c1cocn1 ZINC001382582234 888375141 /nfs/dbraw/zinc/37/51/41/888375141.db2.gz WHYDWWJKOSZDNI-MRVPVSSYSA-N 1 2 293.283 -1.153 20 0 CAADLO CO[C@H](C)CC(=O)N[C@H](CO)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001382659622 888377056 /nfs/dbraw/zinc/37/70/56/888377056.db2.gz QOOAMKQHIBVZNJ-KOLCDFICSA-N 1 2 298.343 -1.030 20 0 CAADLO CO[C@H](C)C(=O)N[C@H](CO)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001382659599 888377971 /nfs/dbraw/zinc/37/79/71/888377971.db2.gz QJRPZWHCJTVLME-SCZZXKLOSA-N 1 2 284.316 -1.420 20 0 CAADLO CO[C@@H](C)CC(=O)N[C@@H](CO)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001382659621 888379057 /nfs/dbraw/zinc/37/90/57/888379057.db2.gz QOOAMKQHIBVZNJ-GXSJLCMTSA-N 1 2 298.343 -1.030 20 0 CAADLO CO[C@@H](C)C(=O)N[C@H](CO)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001382659602 888379502 /nfs/dbraw/zinc/37/95/02/888379502.db2.gz QJRPZWHCJTVLME-WPRPVWTQSA-N 1 2 284.316 -1.420 20 0 CAADLO CO[C@@H](C)C(=O)N(C)C[C@H](O)CNC(=O)Cn1cc[nH+]c1 ZINC001382948689 888380800 /nfs/dbraw/zinc/38/08/00/888380800.db2.gz RFISLBXSDASKJS-WDEREUQCSA-N 1 2 298.343 -1.147 20 0 CAADLO COCC(=O)NC[C@@H](O)CN(C)C(=O)Cc1c[nH+]cn1C ZINC001383034951 888384702 /nfs/dbraw/zinc/38/47/02/888384702.db2.gz UGDXGOUFRLNJEK-LLVKDONJSA-N 1 2 298.343 -1.456 20 0 CAADLO COCC(=O)NC[C@H](O)CN(C)C(=O)Cc1c[nH+]cn1C ZINC001383034956 888385515 /nfs/dbraw/zinc/38/55/15/888385515.db2.gz UGDXGOUFRLNJEK-NSHDSACASA-N 1 2 298.343 -1.456 20 0 CAADLO CCOCC(=O)NC[C@@H](CO)NC(=O)Cc1c[nH+]cn1C ZINC001383859924 888395762 /nfs/dbraw/zinc/39/57/62/888395762.db2.gz FTAFLQOURKFYLC-JTQLQIEISA-N 1 2 298.343 -1.408 20 0 CAADLO CC(C)(O)CC(=O)NC[C@@H](CO)NC(=O)Cc1[nH]cc[nH+]1 ZINC001383905575 888405012 /nfs/dbraw/zinc/40/50/12/888405012.db2.gz VKDPORPRZYCWIM-VIFPVBQESA-N 1 2 298.343 -1.294 20 0 CAADLO O=C(Cn1cc[nH+]c1)N[C@@H](CO)CNC(=O)c1ncc[nH]1 ZINC001383910701 888405996 /nfs/dbraw/zinc/40/59/96/888405996.db2.gz HHZCPGHYWWHKRQ-SECBINFHSA-N 1 2 292.299 -1.487 20 0 CAADLO CC(C)OCC(=O)N[C@H](CO)CNC(=O)Cn1cc[nH+]c1 ZINC001383957958 888408027 /nfs/dbraw/zinc/40/80/27/888408027.db2.gz ZHKQFRUWPPTIQG-NSHDSACASA-N 1 2 298.343 -1.099 20 0 CAADLO CC(C)OCC(=O)N[C@@H](CO)CNC(=O)Cn1cc[nH+]c1 ZINC001383957957 888409055 /nfs/dbraw/zinc/40/90/55/888409055.db2.gz ZHKQFRUWPPTIQG-LLVKDONJSA-N 1 2 298.343 -1.099 20 0 CAADLO CO[C@H](C)C(=O)N[C@@H](CO)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001384004996 888414055 /nfs/dbraw/zinc/41/40/55/888414055.db2.gz PTLMRSNSHHWZSE-RKDXNWHRSA-N 1 2 284.316 -1.420 20 0 CAADLO CO[C@H](C)C(=O)N[C@H](CO)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001384004991 888415002 /nfs/dbraw/zinc/41/50/02/888415002.db2.gz PTLMRSNSHHWZSE-BDAKNGLRSA-N 1 2 284.316 -1.420 20 0 CAADLO CO[C@@H](C)C(=O)N[C@H](CO)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001384004995 888415382 /nfs/dbraw/zinc/41/53/82/888415382.db2.gz PTLMRSNSHHWZSE-IUCAKERBSA-N 1 2 284.316 -1.420 20 0 CAADLO CSCC(=O)N[C@@H](CO)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001384044111 888416668 /nfs/dbraw/zinc/41/66/68/888416668.db2.gz FKOYICXERHXEHU-SECBINFHSA-N 1 2 286.357 -1.092 20 0 CAADLO COCC(=O)N(C)C[C@@H](O)CNC(=O)CCn1cc[nH+]c1 ZINC001384178533 888419991 /nfs/dbraw/zinc/41/99/91/888419991.db2.gz MNLSCEYRUHKEMR-NSHDSACASA-N 1 2 298.343 -1.145 20 0 CAADLO CO[C@H](C)C(=O)N[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1O ZINC001384212013 888422033 /nfs/dbraw/zinc/42/20/33/888422033.db2.gz NLRFRUWIWXGDKW-BBBLOLIVSA-N 1 2 296.327 -1.325 20 0 CAADLO CCOCC(=O)N1C[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H](O)C1 ZINC001384235418 888422224 /nfs/dbraw/zinc/42/22/24/888422224.db2.gz LZNIZWGGIDBOSQ-MNOVXSKESA-N 1 2 296.327 -1.393 20 0 CAADLO COCC(=O)NC[C@@H](O)CN(C)C(=O)CCc1c[nH]c[nH+]1 ZINC001384227658 888422334 /nfs/dbraw/zinc/42/23/34/888422334.db2.gz HDNLNBLAYBLYKX-LLVKDONJSA-N 1 2 298.343 -1.076 20 0 CAADLO COCC(=O)NC[C@@H](O)CN(C)C(=O)CCc1c[nH+]c[nH]1 ZINC001384227658 888422338 /nfs/dbraw/zinc/42/23/38/888422338.db2.gz HDNLNBLAYBLYKX-LLVKDONJSA-N 1 2 298.343 -1.076 20 0 CAADLO COCCC(=O)N1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001384731191 888430821 /nfs/dbraw/zinc/43/08/21/888430821.db2.gz OAEMVLGMIVOOHG-GHMZBOCLSA-N 1 2 296.327 -1.393 20 0 CAADLO CC(=O)NCC(=O)N1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001385245684 888440463 /nfs/dbraw/zinc/44/04/63/888440463.db2.gz OFTSOTRHMSPYRI-UHFFFAOYSA-N 1 2 293.327 -1.310 20 0 CAADLO C[C@H](CNC(=O)Cn1cc[nH+]c1)NC(=O)c1ncn(C)n1 ZINC001386341941 888459185 /nfs/dbraw/zinc/45/91/85/888459185.db2.gz YLWOMVQKHURUPT-SECBINFHSA-N 1 2 291.315 -1.054 20 0 CAADLO C[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)NC(=O)[C@H]1COC(=O)N1 ZINC001386443955 888462113 /nfs/dbraw/zinc/46/21/13/888462113.db2.gz PEMMRBBPMXRVGI-JGVFFNPUSA-N 1 2 295.299 -1.319 20 0 CAADLO COC(=O)NCC(=O)N[C@H](C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001386515847 888463449 /nfs/dbraw/zinc/46/34/49/888463449.db2.gz ZFUFIHIQYSDPRF-MRVPVSSYSA-N 1 2 297.315 -1.071 20 0 CAADLO C[C@H](CNC(=O)c1ncn(C)n1)NC(=O)Cn1cc[nH+]c1 ZINC001386755391 888467310 /nfs/dbraw/zinc/46/73/10/888467310.db2.gz FTOXDQFIFKQNFM-SECBINFHSA-N 1 2 291.315 -1.054 20 0 CAADLO CN(CCNC(=O)Cn1cnnn1)C(=O)Cn1cc[nH+]c1 ZINC001386798865 888472087 /nfs/dbraw/zinc/47/20/87/888472087.db2.gz PQNIKVTXDCHTKN-UHFFFAOYSA-N 1 2 292.303 -1.856 20 0 CAADLO CN(CCNC(=O)[C@@H]1C[N@H+](C)CCO1)C(=O)c1ccn[nH]1 ZINC001386840450 888474323 /nfs/dbraw/zinc/47/43/23/888474323.db2.gz UOFKNOWZEVAKKW-NSHDSACASA-N 1 2 295.343 -1.072 20 0 CAADLO CN(CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)C(=O)c1ccn[nH]1 ZINC001386840450 888474329 /nfs/dbraw/zinc/47/43/29/888474329.db2.gz UOFKNOWZEVAKKW-NSHDSACASA-N 1 2 295.343 -1.072 20 0 CAADLO CN(CCNC(=O)Cc1c[nH+]cn1C)C(=O)CNC(N)=O ZINC001387008730 888476372 /nfs/dbraw/zinc/47/63/72/888476372.db2.gz ONXYCVJDOBJBAH-UHFFFAOYSA-N 1 2 296.331 -1.795 20 0 CAADLO C[C@@H](CNC(=O)Cn1cc[nH+]c1)NC(=O)[C@H](C)NC(N)=O ZINC001386908154 888476419 /nfs/dbraw/zinc/47/64/19/888476419.db2.gz BKVWEVGDNJWCBY-IUCAKERBSA-N 1 2 296.331 -1.439 20 0 CAADLO CCC(=O)NCC(=O)N(C)CCNC(=O)Cn1cc[nH+]c1 ZINC001386970553 888476962 /nfs/dbraw/zinc/47/69/62/888476962.db2.gz PWVYKRHBBAJRBF-UHFFFAOYSA-N 1 2 295.343 -1.016 20 0 CAADLO C[C@@H](CNC(=O)Cn1cc[nH+]c1)NC(=O)c1cn(C)nn1 ZINC001386911674 888477332 /nfs/dbraw/zinc/47/73/32/888477332.db2.gz ZOVOTPKSFZXDAJ-VIFPVBQESA-N 1 2 291.315 -1.054 20 0 CAADLO C[C@@H](CNC(=O)Cn1cc[nH+]c1)NC(=O)c1nnn(C)n1 ZINC001386909840 888477463 /nfs/dbraw/zinc/47/74/63/888477463.db2.gz NNGRNCNHYSGHLW-QMMMGPOBSA-N 1 2 292.303 -1.659 20 0 CAADLO CN(CCNC(=O)Cc1[nH]cc[nH+]1)C(=O)Cc1nnc[nH]1 ZINC001387069481 888479217 /nfs/dbraw/zinc/47/92/17/888479217.db2.gz QFYNDJWUSRNXMD-UHFFFAOYSA-N 1 2 291.315 -1.112 20 0 CAADLO CN(CCNC(=O)Cc1[nH]cc[nH+]1)C(=O)c1nc[nH]n1 ZINC001387069603 888479869 /nfs/dbraw/zinc/47/98/69/888479869.db2.gz RMLBYRKCQIXJEA-UHFFFAOYSA-N 1 2 277.288 -1.041 20 0 CAADLO CN(CCNC(=O)c1cnnn1C)C(=O)Cc1[nH]cc[nH+]1 ZINC001387711598 888491289 /nfs/dbraw/zinc/49/12/89/888491289.db2.gz OQYVKRORDLLJDD-UHFFFAOYSA-N 1 2 291.315 -1.031 20 0 CAADLO C[C@@H](CC(N)=O)C(=O)NC1CN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001387784388 888495309 /nfs/dbraw/zinc/49/53/09/888495309.db2.gz CONNRIWFHDLYAA-QMMMGPOBSA-N 1 2 293.327 -1.209 20 0 CAADLO CC(=O)N[C@H](C)C(=O)N1CC(NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001387804914 888495634 /nfs/dbraw/zinc/49/56/34/888495634.db2.gz WYYKCMLIMOAPAB-MRVPVSSYSA-N 1 2 293.327 -1.196 20 0 CAADLO CN(CCNC(=O)Cn1cc[nH+]c1)C(=O)c1nnn(C)n1 ZINC001387862057 888499661 /nfs/dbraw/zinc/49/96/61/888499661.db2.gz LACNVZBQASDYAR-UHFFFAOYSA-N 1 2 292.303 -1.705 20 0 CAADLO C[C@H](CC(N)=O)C(=O)NCCN(C)C(=O)Cn1cc[nH+]c1 ZINC001387953948 888502569 /nfs/dbraw/zinc/50/25/69/888502569.db2.gz CCFOQFSQPZARGQ-SNVBAGLBSA-N 1 2 295.343 -1.031 20 0 CAADLO CCN(CCNC(=O)Cn1cc[nH+]c1)C(=O)CNC(N)=O ZINC001388325644 888506029 /nfs/dbraw/zinc/50/60/29/888506029.db2.gz LKENHPUDKHGPNN-UHFFFAOYSA-N 1 2 296.331 -1.484 20 0 CAADLO CN(CCNC(=O)Cn1cncn1)C(=O)Cc1c[nH+]c[nH]1 ZINC001388114012 888506265 /nfs/dbraw/zinc/50/62/65/888506265.db2.gz RFKWBQJTTPUNIB-UHFFFAOYSA-N 1 2 291.315 -1.182 20 0 CAADLO CN(C[C@H]1CC[N@@H+]1[C@H]1CCNC1=O)C(=O)Cc1nnc[nH]1 ZINC001388651909 888507832 /nfs/dbraw/zinc/50/78/32/888507832.db2.gz GPDRLEFRYCTBQD-ZJUUUORDSA-N 1 2 292.343 -1.232 20 0 CAADLO CN(C[C@H]1CC[N@H+]1[C@H]1CCNC1=O)C(=O)Cc1nnc[nH]1 ZINC001388651909 888507846 /nfs/dbraw/zinc/50/78/46/888507846.db2.gz GPDRLEFRYCTBQD-ZJUUUORDSA-N 1 2 292.343 -1.232 20 0 CAADLO CCNC(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)CCNC(N)=O ZINC001388662040 888508582 /nfs/dbraw/zinc/50/85/82/888508582.db2.gz YSLYUUKBXNNABC-JTQLQIEISA-N 1 2 299.375 -1.286 20 0 CAADLO CCNC(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)CCNC(N)=O ZINC001388662040 888508591 /nfs/dbraw/zinc/50/85/91/888508591.db2.gz YSLYUUKBXNNABC-JTQLQIEISA-N 1 2 299.375 -1.286 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)CCCC(N)=O ZINC001388666706 888508718 /nfs/dbraw/zinc/50/87/18/888508718.db2.gz RWOHSCUMSSNAAX-SNVBAGLBSA-N 1 2 284.360 -1.079 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)CCCC(N)=O ZINC001388666706 888508728 /nfs/dbraw/zinc/50/87/28/888508728.db2.gz RWOHSCUMSSNAAX-SNVBAGLBSA-N 1 2 284.360 -1.079 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)CCCC(N)=O ZINC001388666705 888509271 /nfs/dbraw/zinc/50/92/71/888509271.db2.gz RWOHSCUMSSNAAX-JTQLQIEISA-N 1 2 284.360 -1.079 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)CCCC(N)=O ZINC001388666705 888509279 /nfs/dbraw/zinc/50/92/79/888509279.db2.gz RWOHSCUMSSNAAX-JTQLQIEISA-N 1 2 284.360 -1.079 20 0 CAADLO COC[C@H](OC)C(=O)N[C@H]1CC[N@H+](CC(N)=O)[C@@H]1C ZINC001388811094 888511595 /nfs/dbraw/zinc/51/15/95/888511595.db2.gz RRHXUOCRTBDADS-UTLUCORTSA-N 1 2 273.333 -1.288 20 0 CAADLO COC[C@H](OC)C(=O)N[C@H]1CC[N@@H+](CC(N)=O)[C@@H]1C ZINC001388811094 888511604 /nfs/dbraw/zinc/51/16/04/888511604.db2.gz RRHXUOCRTBDADS-UTLUCORTSA-N 1 2 273.333 -1.288 20 0 CAADLO C[C@@H]1[C@@H](NC(=O)c2ncc[nH]2)CC[N@@H+]1CC(=O)NC(N)=O ZINC001388793595 888512208 /nfs/dbraw/zinc/51/22/08/888512208.db2.gz NLSMKRWJUGVSMP-SFYZADRCSA-N 1 2 294.315 -1.203 20 0 CAADLO C[C@@H]1[C@@H](NC(=O)c2ncc[nH]2)CC[N@H+]1CC(=O)NC(N)=O ZINC001388793595 888512221 /nfs/dbraw/zinc/51/22/21/888512221.db2.gz NLSMKRWJUGVSMP-SFYZADRCSA-N 1 2 294.315 -1.203 20 0 CAADLO CCC(=O)N(C)CC[NH+]1CCN(C(=O)CNC(N)=O)CC1 ZINC001388784284 888513211 /nfs/dbraw/zinc/51/32/11/888513211.db2.gz XLLYCKLBQVRDSV-UHFFFAOYSA-N 1 2 299.375 -1.333 20 0 CAADLO CCOCC(=O)NC[C@H](O)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001389058370 888518997 /nfs/dbraw/zinc/51/89/97/888518997.db2.gz KINZFIGJIZLNKC-SNVBAGLBSA-N 1 2 284.316 -1.418 20 0 CAADLO COCC(=O)NC[C@@H](O)CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001389051507 888519537 /nfs/dbraw/zinc/51/95/37/888519537.db2.gz YBOLRYFKYMJHBR-OPRDCNLKSA-N 1 2 296.327 -1.247 20 0 CAADLO COCC(=O)NC[C@@H](O)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001389051507 888519548 /nfs/dbraw/zinc/51/95/48/888519548.db2.gz YBOLRYFKYMJHBR-OPRDCNLKSA-N 1 2 296.327 -1.247 20 0 CAADLO CC[C@H](OC)C(=O)NC[C@H](O)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001389075442 888521557 /nfs/dbraw/zinc/52/15/57/888521557.db2.gz JYMNZCNRIMTFQZ-ZJUUUORDSA-N 1 2 298.343 -1.030 20 0 CAADLO O=C(Cc1c[nH]c[nH+]1)NC[C@@H](O)CNC(=O)[C@H]1CCOC1 ZINC001389071587 888522230 /nfs/dbraw/zinc/52/22/30/888522230.db2.gz CKUWGGLJJDTTBV-GXSJLCMTSA-N 1 2 296.327 -1.418 20 0 CAADLO O=C(Cc1c[nH]c[nH+]1)NC[C@H](O)CNC(=O)[C@H]1CCOC1 ZINC001389071612 888522543 /nfs/dbraw/zinc/52/25/43/888522543.db2.gz CKUWGGLJJDTTBV-ONGXEEELSA-N 1 2 296.327 -1.418 20 0 CAADLO CC[C@H](OC)C(=O)NC[C@@H](O)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001389075438 888522750 /nfs/dbraw/zinc/52/27/50/888522750.db2.gz JYMNZCNRIMTFQZ-UWVGGRQHSA-N 1 2 298.343 -1.030 20 0 CAADLO O=C(Cn1cc[nH+]c1)NC[C@@H](O)CNC(=O)c1ccon1 ZINC001389075309 888523518 /nfs/dbraw/zinc/52/35/18/888523518.db2.gz XGEWPODMOGWSLW-SECBINFHSA-N 1 2 293.283 -1.222 20 0 CAADLO CC(=O)NCC(=O)NC1CN(C(=O)CCn2cc[nH+]c2)C1 ZINC001389108738 888525268 /nfs/dbraw/zinc/52/52/68/888525268.db2.gz WAUGQLYXPSBJHL-UHFFFAOYSA-N 1 2 293.327 -1.264 20 0 CAADLO CC[C@H](OC)C(=O)NC[C@H](O)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001389083362 888525804 /nfs/dbraw/zinc/52/58/04/888525804.db2.gz YPXMZCJMLJGAJG-MNOVXSKESA-N 1 2 298.343 -1.030 20 0 CAADLO CC[C@@H](OC)C(=O)NC[C@@H](O)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001389083369 888526219 /nfs/dbraw/zinc/52/62/19/888526219.db2.gz YPXMZCJMLJGAJG-WDEREUQCSA-N 1 2 298.343 -1.030 20 0 CAADLO C[C@H](CNC(=O)[C@H]1COC(=O)N1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001389288176 888538504 /nfs/dbraw/zinc/53/85/04/888538504.db2.gz WZOHMZVYEKMALK-VXNVDRBHSA-N 1 2 295.299 -1.319 20 0 CAADLO CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)Cn2cnnn2)C1 ZINC001389346539 888541930 /nfs/dbraw/zinc/54/19/30/888541930.db2.gz OFXJNGYOGJYGTN-SNVBAGLBSA-N 1 2 295.347 -1.610 20 0 CAADLO CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)Cn2cnnn2)C1 ZINC001389346539 888541939 /nfs/dbraw/zinc/54/19/39/888541939.db2.gz OFXJNGYOGJYGTN-SNVBAGLBSA-N 1 2 295.347 -1.610 20 0 CAADLO C[C@H](CC(N)=O)C(=O)NC1CN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001389343788 888542197 /nfs/dbraw/zinc/54/21/97/888542197.db2.gz PVOYSNBQNXLOBF-MRVPVSSYSA-N 1 2 293.327 -1.209 20 0 CAADLO CCOCC(=O)N[C@H]1CCC[N@H+](CC(=O)NC(N)=O)C1 ZINC001389344930 888543404 /nfs/dbraw/zinc/54/34/04/888543404.db2.gz GGECUBQVHVMRCS-VIFPVBQESA-N 1 2 286.332 -1.202 20 0 CAADLO CCOCC(=O)N[C@H]1CCC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001389344930 888543418 /nfs/dbraw/zinc/54/34/18/888543418.db2.gz GGECUBQVHVMRCS-VIFPVBQESA-N 1 2 286.332 -1.202 20 0 CAADLO CC(=O)NCC(=O)N[C@H]1CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001389437308 888544780 /nfs/dbraw/zinc/54/47/80/888544780.db2.gz OBSFNKBSQYOMKS-QMMMGPOBSA-N 1 2 285.304 -2.492 20 0 CAADLO CC(=O)NCC(=O)N[C@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001389437308 888544793 /nfs/dbraw/zinc/54/47/93/888544793.db2.gz OBSFNKBSQYOMKS-QMMMGPOBSA-N 1 2 285.304 -2.492 20 0 CAADLO COCC(=O)NCCN1CC[NH+]([C@H]2CCN(C)C2=O)CC1 ZINC001389400501 888544846 /nfs/dbraw/zinc/54/48/46/888544846.db2.gz KOWYTXXTHITQRS-LBPRGKRZSA-N 1 2 298.387 -1.403 20 0 CAADLO COCC[NH+]1CCN(CCNC(=O)c2ncn[nH]2)CC1 ZINC001389433684 888545050 /nfs/dbraw/zinc/54/50/50/888545050.db2.gz CDOXIIJSEVDLNY-UHFFFAOYSA-N 1 2 282.348 -1.202 20 0 CAADLO COCC[NH+]1CCN(CCNC(=O)c2nc[nH]n2)CC1 ZINC001389433684 888545061 /nfs/dbraw/zinc/54/50/61/888545061.db2.gz CDOXIIJSEVDLNY-UHFFFAOYSA-N 1 2 282.348 -1.202 20 0 CAADLO COCC(=O)NCC[NH+]1CCN(Cc2cnnn2C)CC1 ZINC001389399215 888545224 /nfs/dbraw/zinc/54/52/24/888545224.db2.gz IBARHUSUJZREKL-UHFFFAOYSA-N 1 2 296.375 -1.305 20 0 CAADLO CS(=O)(=O)NCC[N@@H+]1CC[C@H](NC(=O)C(F)F)C1 ZINC001389435445 888546589 /nfs/dbraw/zinc/54/65/89/888546589.db2.gz JAUULVUIPRWKMU-ZETCQYMHSA-N 1 2 285.316 -1.009 20 0 CAADLO CS(=O)(=O)NCC[N@H+]1CC[C@H](NC(=O)C(F)F)C1 ZINC001389435445 888546599 /nfs/dbraw/zinc/54/65/99/888546599.db2.gz JAUULVUIPRWKMU-ZETCQYMHSA-N 1 2 285.316 -1.009 20 0 CAADLO CS(=O)(=O)NCC[N@@H+]1CC[C@@H](NC(=O)C(F)F)C1 ZINC001389435444 888547335 /nfs/dbraw/zinc/54/73/35/888547335.db2.gz JAUULVUIPRWKMU-SSDOTTSWSA-N 1 2 285.316 -1.009 20 0 CAADLO CS(=O)(=O)NCC[N@H+]1CC[C@@H](NC(=O)C(F)F)C1 ZINC001389435444 888547343 /nfs/dbraw/zinc/54/73/43/888547343.db2.gz JAUULVUIPRWKMU-SSDOTTSWSA-N 1 2 285.316 -1.009 20 0 CAADLO C[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)NC(=O)[C@@H]1CNC(=O)N1 ZINC001389480915 888549603 /nfs/dbraw/zinc/54/96/03/888549603.db2.gz HTBPMKFURUMDSR-YUMQZZPRSA-N 1 2 294.315 -1.746 20 0 CAADLO NC(=O)NCC(=O)N1CC(NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001389483819 888549794 /nfs/dbraw/zinc/54/97/94/888549794.db2.gz JWPOBMGZIZDRTB-UHFFFAOYSA-N 1 2 280.288 -2.053 20 0 CAADLO O=C(CCc1nnc[nH]1)N[C@H]1CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001389461079 888549899 /nfs/dbraw/zinc/54/98/99/888549899.db2.gz YOKGLOFHECXNRN-UWVGGRQHSA-N 1 2 292.343 -1.184 20 0 CAADLO O=C(CCc1nnc[nH]1)N[C@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001389461079 888549907 /nfs/dbraw/zinc/54/99/07/888549907.db2.gz YOKGLOFHECXNRN-UWVGGRQHSA-N 1 2 292.343 -1.184 20 0 CAADLO CC(=O)NCC(C)(C)C(=O)N[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001389483275 888550102 /nfs/dbraw/zinc/55/01/02/888550102.db2.gz BXAJYYRUSINGGJ-SNVBAGLBSA-N 1 2 284.360 -1.176 20 0 CAADLO CC(=O)NCC(C)(C)C(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001389483275 888550115 /nfs/dbraw/zinc/55/01/15/888550115.db2.gz BXAJYYRUSINGGJ-SNVBAGLBSA-N 1 2 284.360 -1.176 20 0 CAADLO CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cnnn2C)C1 ZINC001389461839 888551289 /nfs/dbraw/zinc/55/12/89/888551289.db2.gz KCDRPCDVCNOJRT-SECBINFHSA-N 1 2 280.332 -1.245 20 0 CAADLO CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cnnn2C)C1 ZINC001389461839 888551295 /nfs/dbraw/zinc/55/12/95/888551295.db2.gz KCDRPCDVCNOJRT-SECBINFHSA-N 1 2 280.332 -1.245 20 0 CAADLO C[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)NC(=O)[C@H]1CNC(=O)N1 ZINC001389480908 888551500 /nfs/dbraw/zinc/55/15/00/888551500.db2.gz HTBPMKFURUMDSR-JGVFFNPUSA-N 1 2 294.315 -1.746 20 0 CAADLO CCCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001389480411 888551644 /nfs/dbraw/zinc/55/16/44/888551644.db2.gz LNTZVNJNUXYFIY-UWVGGRQHSA-N 1 2 297.359 -1.616 20 0 CAADLO CCCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001389480411 888551650 /nfs/dbraw/zinc/55/16/50/888551650.db2.gz LNTZVNJNUXYFIY-UWVGGRQHSA-N 1 2 297.359 -1.616 20 0 CAADLO NC(=O)NC(=O)CN1CC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001389520137 888553393 /nfs/dbraw/zinc/55/33/93/888553393.db2.gz HIDOKGYADLOMMB-VIFPVBQESA-N 1 2 294.315 -1.732 20 0 CAADLO CC(=O)NCC(=O)NC[C@@H]1CCN1C(=O)Cn1cc[nH+]c1 ZINC001389580603 888553519 /nfs/dbraw/zinc/55/35/19/888553519.db2.gz YTLZPGWVBNFCRH-NSHDSACASA-N 1 2 293.327 -1.264 20 0 CAADLO CC(=O)NCC(=O)NC[C@H]1CCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001389574728 888554531 /nfs/dbraw/zinc/55/45/31/888554531.db2.gz SRRVHPLCFDLYOT-SNVBAGLBSA-N 1 2 293.327 -1.195 20 0 CAADLO CC(=O)NCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2nnn(C)n2)C1 ZINC001389929176 888567059 /nfs/dbraw/zinc/56/70/59/888567059.db2.gz CZIMILHMHLWHDT-DTORHVGOSA-N 1 2 281.320 -1.917 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@H](CNC(=O)Cc2nnc[nH]2)C1 ZINC001390057078 888570112 /nfs/dbraw/zinc/57/01/12/888570112.db2.gz DMCHVJOIRYLOEW-SECBINFHSA-N 1 2 280.332 -1.339 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@H](CNC(=O)Cc2nnc[nH]2)C1 ZINC001390057078 888570116 /nfs/dbraw/zinc/57/01/16/888570116.db2.gz DMCHVJOIRYLOEW-SECBINFHSA-N 1 2 280.332 -1.339 20 0 CAADLO C[C@H](CNC(=O)c1ccn[nH]1)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001390282813 888573955 /nfs/dbraw/zinc/57/39/55/888573955.db2.gz FZQQTCPREXDOLE-SSDOTTSWSA-N 1 2 279.304 -1.260 20 0 CAADLO C[C@H](CNC(=O)c1ncn(C)n1)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001390377962 888575885 /nfs/dbraw/zinc/57/58/85/888575885.db2.gz YBNRFLYDPCBADM-SSDOTTSWSA-N 1 2 294.319 -1.855 20 0 CAADLO C[C@@H](CNC(=O)Cn1ncnn1)[NH2+]Cc1nncs1 ZINC001390383039 888576233 /nfs/dbraw/zinc/57/62/33/888576233.db2.gz NMTAYZDJSHOEPS-ZETCQYMHSA-N 1 2 282.333 -1.181 20 0 CAADLO C[C@H](CNC(=O)Cn1ncnn1)[NH2+]Cc1nncs1 ZINC001390383036 888577856 /nfs/dbraw/zinc/57/78/56/888577856.db2.gz NMTAYZDJSHOEPS-SSDOTTSWSA-N 1 2 282.333 -1.181 20 0 CAADLO C[C@@H](CNC(=O)c1nnn(C)n1)[NH2+]Cc1cnsn1 ZINC001390452334 888580117 /nfs/dbraw/zinc/58/01/17/888580117.db2.gz IUKDQIDDQYIMSF-LURJTMIESA-N 1 2 282.333 -1.030 20 0 CAADLO CNC(=O)NCC(=O)NC[C@H](C)[NH2+]Cc1nnc(C)o1 ZINC001390411579 888583149 /nfs/dbraw/zinc/58/31/49/888583149.db2.gz XVGSYZSTIVXAPI-ZETCQYMHSA-N 1 2 284.320 -1.099 20 0 CAADLO C[C@@H](CNC(=O)Cn1[nH]cc2c(=O)ncnc1-2)[NH2+]CCO ZINC001390492013 888584784 /nfs/dbraw/zinc/58/47/84/888584784.db2.gz WKNGIUUWWBBYNU-QMMMGPOBSA-N 1 2 294.315 -1.842 20 0 CAADLO C[C@H](CNC(=O)c1nnc[nH]1)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001390487905 888586300 /nfs/dbraw/zinc/58/63/00/888586300.db2.gz IPTVYZICKDFYRC-ZCFIWIBFSA-N 1 2 280.292 -1.865 20 0 CAADLO C[C@H](CCNC(=O)Cc1nnc[nH]1)[NH2+]Cc1nnnn1C ZINC001390714695 888593285 /nfs/dbraw/zinc/59/32/85/888593285.db2.gz MPYOSYXFEHSVNJ-MRVPVSSYSA-N 1 2 293.335 -1.445 20 0 CAADLO C[N@H+](CCNC(=O)[C@H]1CCC(=O)N1)CC(=O)NCC1CC1 ZINC001390739619 888595908 /nfs/dbraw/zinc/59/59/08/888595908.db2.gz BWQSOFJCSZCIGQ-LLVKDONJSA-N 1 2 296.371 -1.161 20 0 CAADLO C[N@@H+](CCNC(=O)[C@H]1CCC(=O)N1)CC(=O)NCC1CC1 ZINC001390739619 888595917 /nfs/dbraw/zinc/59/59/17/888595917.db2.gz BWQSOFJCSZCIGQ-LLVKDONJSA-N 1 2 296.371 -1.161 20 0 CAADLO CN(C)C(=O)C[N@H+](C)CCNC(=O)[C@@H]1COC(=O)N1 ZINC001390752434 888596957 /nfs/dbraw/zinc/59/69/57/888596957.db2.gz CSLKBVLQCKXVRW-QMMMGPOBSA-N 1 2 272.305 -1.769 20 0 CAADLO CN(C)C(=O)C[N@@H+](C)CCNC(=O)[C@@H]1COC(=O)N1 ZINC001390752434 888596961 /nfs/dbraw/zinc/59/69/61/888596961.db2.gz CSLKBVLQCKXVRW-QMMMGPOBSA-N 1 2 272.305 -1.769 20 0 CAADLO CCNC(=O)C[N@H+](C)CCNC(=O)CO[C@@H]1CCOC1 ZINC001390756430 888597505 /nfs/dbraw/zinc/59/75/05/888597505.db2.gz KUKSZOJJFHUQPL-LLVKDONJSA-N 1 2 287.360 -1.024 20 0 CAADLO CCNC(=O)C[N@@H+](C)CCNC(=O)CO[C@@H]1CCOC1 ZINC001390756430 888597520 /nfs/dbraw/zinc/59/75/20/888597520.db2.gz KUKSZOJJFHUQPL-LLVKDONJSA-N 1 2 287.360 -1.024 20 0 CAADLO CC[C@H](C)NC(=O)C[N@H+](C)CCNC(=O)Cn1cnnn1 ZINC001390728804 888597300 /nfs/dbraw/zinc/59/73/00/888597300.db2.gz DTYURKPYMNBXAY-JTQLQIEISA-N 1 2 297.363 -1.364 20 0 CAADLO CC[C@H](C)NC(=O)C[N@@H+](C)CCNC(=O)Cn1cnnn1 ZINC001390728804 888597319 /nfs/dbraw/zinc/59/73/19/888597319.db2.gz DTYURKPYMNBXAY-JTQLQIEISA-N 1 2 297.363 -1.364 20 0 CAADLO C[N@H+](CCNC(=O)CS(C)(=O)=O)CCn1cccn1 ZINC001390741276 888597848 /nfs/dbraw/zinc/59/78/48/888597848.db2.gz IECXYBJOGNVMKZ-UHFFFAOYSA-N 1 2 288.373 -1.024 20 0 CAADLO C[N@@H+](CCNC(=O)CS(C)(=O)=O)CCn1cccn1 ZINC001390741276 888597861 /nfs/dbraw/zinc/59/78/61/888597861.db2.gz IECXYBJOGNVMKZ-UHFFFAOYSA-N 1 2 288.373 -1.024 20 0 CAADLO CC(=O)NCC(=O)NCC[N@@H+](C)CC(=O)N(C)C1CC1 ZINC001390736806 888598154 /nfs/dbraw/zinc/59/81/54/888598154.db2.gz PFWWGMDPWVZSHD-UHFFFAOYSA-N 1 2 284.360 -1.209 20 0 CAADLO CC(=O)NCC(=O)NCC[N@H+](C)CC(=O)N(C)C1CC1 ZINC001390736806 888598161 /nfs/dbraw/zinc/59/81/61/888598161.db2.gz PFWWGMDPWVZSHD-UHFFFAOYSA-N 1 2 284.360 -1.209 20 0 CAADLO C[N@H+](CCNC(=O)c1cn2cccnc2n1)CC(N)=O ZINC001390782915 888600135 /nfs/dbraw/zinc/60/01/35/888600135.db2.gz XMLIGKKZJRYFSK-UHFFFAOYSA-N 1 2 276.300 -1.124 20 0 CAADLO C[N@@H+](CCNC(=O)c1cn2cccnc2n1)CC(N)=O ZINC001390782915 888600140 /nfs/dbraw/zinc/60/01/40/888600140.db2.gz XMLIGKKZJRYFSK-UHFFFAOYSA-N 1 2 276.300 -1.124 20 0 CAADLO CC(=O)NCC(=O)NCC(=O)NCC[N@@H+](C)CC(N)=O ZINC001390782196 888600264 /nfs/dbraw/zinc/60/02/64/888600264.db2.gz KECQDBKAYWGSHA-UHFFFAOYSA-N 1 2 287.320 -3.228 20 0 CAADLO CC(=O)NCC(=O)NCC(=O)NCC[N@H+](C)CC(N)=O ZINC001390782196 888600276 /nfs/dbraw/zinc/60/02/76/888600276.db2.gz KECQDBKAYWGSHA-UHFFFAOYSA-N 1 2 287.320 -3.228 20 0 CAADLO C[N@H+](CCNC(=O)C[C@H]1CCNC1=O)CC(=O)N1CCC1 ZINC001390768638 888600724 /nfs/dbraw/zinc/60/07/24/888600724.db2.gz QXNHRFIHJFUXMP-LLVKDONJSA-N 1 2 296.371 -1.207 20 0 CAADLO C[N@@H+](CCNC(=O)C[C@H]1CCNC1=O)CC(=O)N1CCC1 ZINC001390768638 888600734 /nfs/dbraw/zinc/60/07/34/888600734.db2.gz QXNHRFIHJFUXMP-LLVKDONJSA-N 1 2 296.371 -1.207 20 0 CAADLO CCN1CCOC[C@H]1C(=O)NCC[N@H+](C)CC(=O)NC ZINC001390781537 888601613 /nfs/dbraw/zinc/60/16/13/888601613.db2.gz FORZURMFZXPQED-NSHDSACASA-N 1 2 286.376 -1.499 20 0 CAADLO CCN1CCOC[C@H]1C(=O)NCC[N@@H+](C)CC(=O)NC ZINC001390781537 888601617 /nfs/dbraw/zinc/60/16/17/888601617.db2.gz FORZURMFZXPQED-NSHDSACASA-N 1 2 286.376 -1.499 20 0 CAADLO C[N@H+](CCNC(=O)[C@H]1CCNC(=O)CC1)CC(N)=O ZINC001390790534 888601868 /nfs/dbraw/zinc/60/18/68/888601868.db2.gz CMWSODJNUBFBKO-SECBINFHSA-N 1 2 270.333 -1.564 20 0 CAADLO C[N@@H+](CCNC(=O)[C@H]1CCNC(=O)CC1)CC(N)=O ZINC001390790534 888601878 /nfs/dbraw/zinc/60/18/78/888601878.db2.gz CMWSODJNUBFBKO-SECBINFHSA-N 1 2 270.333 -1.564 20 0 CAADLO CCNC(=O)C[N@H+](C)CCNC(=O)CCc1cnn(C)n1 ZINC001390815963 888601917 /nfs/dbraw/zinc/60/19/17/888601917.db2.gz GVGLVHBTJHDZIQ-UHFFFAOYSA-N 1 2 296.375 -1.068 20 0 CAADLO CCNC(=O)C[N@@H+](C)CCNC(=O)CCc1cnn(C)n1 ZINC001390815963 888601921 /nfs/dbraw/zinc/60/19/21/888601921.db2.gz GVGLVHBTJHDZIQ-UHFFFAOYSA-N 1 2 296.375 -1.068 20 0 CAADLO Cc1c[nH]c(CC(N)=O)c1C(=O)NCC[N@@H+](C)CC(N)=O ZINC001390818988 888602699 /nfs/dbraw/zinc/60/26/99/888602699.db2.gz QOYMDMNMLXWYBG-UHFFFAOYSA-N 1 2 295.343 -1.502 20 0 CAADLO Cc1c[nH]c(CC(N)=O)c1C(=O)NCC[N@H+](C)CC(N)=O ZINC001390818988 888602713 /nfs/dbraw/zinc/60/27/13/888602713.db2.gz QOYMDMNMLXWYBG-UHFFFAOYSA-N 1 2 295.343 -1.502 20 0 CAADLO COCc1cc(C(=O)NCC[N@H+](C)CC(N)=O)no1 ZINC001390829623 888604599 /nfs/dbraw/zinc/60/45/99/888604599.db2.gz KBPIVOBBQFUNPN-UHFFFAOYSA-N 1 2 270.289 -1.032 20 0 CAADLO COCc1cc(C(=O)NCC[N@@H+](C)CC(N)=O)no1 ZINC001390829623 888604611 /nfs/dbraw/zinc/60/46/11/888604611.db2.gz KBPIVOBBQFUNPN-UHFFFAOYSA-N 1 2 270.289 -1.032 20 0 CAADLO CN(CCNC(=O)Cn1cc[nH+]c1)CCS(C)(=O)=O ZINC001390871906 888605555 /nfs/dbraw/zinc/60/55/55/888605555.db2.gz FCCTYBHMSAXQNP-UHFFFAOYSA-N 1 2 288.373 -1.024 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CCC[C@H]1CNC(=O)Cc1nnc[nH]1 ZINC001391067155 888611784 /nfs/dbraw/zinc/61/17/84/888611784.db2.gz IOGXZXJJXJJMAE-BDAKNGLRSA-N 1 2 280.332 -1.198 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CCC[C@H]1CNC(=O)Cc1nnc[nH]1 ZINC001391067155 888611788 /nfs/dbraw/zinc/61/17/88/888611788.db2.gz IOGXZXJJXJJMAE-BDAKNGLRSA-N 1 2 280.332 -1.198 20 0 CAADLO COC(=O)NCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC(N)=O ZINC001391264980 888618442 /nfs/dbraw/zinc/61/84/42/888618442.db2.gz ZKAPQAGCOYGFIN-DTORHVGOSA-N 1 2 284.316 -1.497 20 0 CAADLO COCC(=O)N(C)CC[NH+]1CCN([C@@H](C)C(N)=O)CC1 ZINC001391329076 888623065 /nfs/dbraw/zinc/62/30/65/888623065.db2.gz IXHSLRFESOAPSB-NSHDSACASA-N 1 2 286.376 -1.417 20 0 CAADLO COCC(=O)N(C)CCN1CC[NH+]([C@@H](C)C(N)=O)CC1 ZINC001391329076 888623075 /nfs/dbraw/zinc/62/30/75/888623075.db2.gz IXHSLRFESOAPSB-NSHDSACASA-N 1 2 286.376 -1.417 20 0 CAADLO CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)CCNC(N)=O)C1 ZINC001391402901 888623735 /nfs/dbraw/zinc/62/37/35/888623735.db2.gz QOBNOCLKQLBZOZ-JTQLQIEISA-N 1 2 299.375 -1.239 20 0 CAADLO CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)CCNC(N)=O)C1 ZINC001391402901 888623743 /nfs/dbraw/zinc/62/37/43/888623743.db2.gz QOBNOCLKQLBZOZ-JTQLQIEISA-N 1 2 299.375 -1.239 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(NC(=O)[C@@H](C)NC(C)=O)C1 ZINC001391405622 888623800 /nfs/dbraw/zinc/62/38/00/888623800.db2.gz BQZAMHYYLHUONA-KCJUWKMLSA-N 1 2 273.333 -1.681 20 0 CAADLO CCC(=O)NCC(=O)N[C@@H]1CCC[N@H+](CC(=O)NC)C1 ZINC001391370853 888624043 /nfs/dbraw/zinc/62/40/43/888624043.db2.gz MAJXHWCQMSPIDR-SNVBAGLBSA-N 1 2 284.360 -1.161 20 0 CAADLO CCC(=O)NCC(=O)N[C@@H]1CCC[N@@H+](CC(=O)NC)C1 ZINC001391370853 888624049 /nfs/dbraw/zinc/62/40/49/888624049.db2.gz MAJXHWCQMSPIDR-SNVBAGLBSA-N 1 2 284.360 -1.161 20 0 CAADLO COC[C@H](O)C[NH+]1CC(NC(=O)[C@@H](C)NC(C)=O)C1 ZINC001391405624 888624616 /nfs/dbraw/zinc/62/46/16/888624616.db2.gz BQZAMHYYLHUONA-LDYMZIIASA-N 1 2 273.333 -1.681 20 0 CAADLO CCOCC(=O)N(C)CC[NH+]1CCN(CC(N)=O)CC1 ZINC001391326396 888624852 /nfs/dbraw/zinc/62/48/52/888624852.db2.gz CPVSJJRRNVIWMN-UHFFFAOYSA-N 1 2 286.376 -1.416 20 0 CAADLO CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001391381740 888625103 /nfs/dbraw/zinc/62/51/03/888625103.db2.gz XCBBDCYEIKLVOF-ZJUUUORDSA-N 1 2 297.359 -1.616 20 0 CAADLO CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001391381740 888625122 /nfs/dbraw/zinc/62/51/22/888625122.db2.gz XCBBDCYEIKLVOF-ZJUUUORDSA-N 1 2 297.359 -1.616 20 0 CAADLO CCS(=O)(=O)NCC(=O)NC1C[NH+]([C@H](C)COC)C1 ZINC001391426437 888627474 /nfs/dbraw/zinc/62/74/74/888627474.db2.gz CVCSEBNGKPLFIB-SECBINFHSA-N 1 2 293.389 -1.239 20 0 CAADLO CNC(=O)CCCC(=O)NC1C[NH+](C[C@H](O)COC)C1 ZINC001391412001 888628883 /nfs/dbraw/zinc/62/88/83/888628883.db2.gz XNMSVYQVADCGDC-NSHDSACASA-N 1 2 287.360 -1.290 20 0 CAADLO CC[C@H](NC(C)=O)C(=O)NC1C[NH+](C[C@H](O)COC)C1 ZINC001391444756 888630741 /nfs/dbraw/zinc/63/07/41/888630741.db2.gz UKINFNLDTRWQMF-RYUDHWBXSA-N 1 2 287.360 -1.291 20 0 CAADLO CCC(=O)NCC(=O)NCC1C[NH+](CC(=O)N(C)C)C1 ZINC001391480758 888630900 /nfs/dbraw/zinc/63/09/00/888630900.db2.gz YEYONKDSVQBQIV-UHFFFAOYSA-N 1 2 284.360 -1.351 20 0 CAADLO NC(=O)NC(=O)C[NH+]1CC(CNC(=O)[C@@H]2CCOC2)C1 ZINC001391475368 888631033 /nfs/dbraw/zinc/63/10/33/888631033.db2.gz ISCSMRWRHSDASS-SECBINFHSA-N 1 2 284.316 -1.734 20 0 CAADLO NC(=O)NC(=O)C[NH+]1CC(CNC(=O)C[C@H]2CCCO2)C1 ZINC001391469978 888631396 /nfs/dbraw/zinc/63/13/96/888631396.db2.gz ZZBMFGDDXCFBOS-SNVBAGLBSA-N 1 2 298.343 -1.202 20 0 CAADLO COC[C@H](O)C[NH+]1CC(NC(=O)c2ccc(OC)nn2)C1 ZINC001391447673 888631729 /nfs/dbraw/zinc/63/17/29/888631729.db2.gz ICSCVYRLIUYQQQ-SNVBAGLBSA-N 1 2 296.327 -1.094 20 0 CAADLO CCNC(=O)C[NH+]1CC(CNC(=O)[C@H]2C[C@H]2C(=O)OC)C1 ZINC001391479451 888632356 /nfs/dbraw/zinc/63/23/56/888632356.db2.gz QWMWBPGERBPRBE-WDEREUQCSA-N 1 2 297.355 -1.020 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(NC(=O)CCn2cnnn2)C1 ZINC001391452783 888632439 /nfs/dbraw/zinc/63/24/39/888632439.db2.gz NAFZUWXGFXXORD-JTQLQIEISA-N 1 2 284.320 -2.129 20 0 CAADLO COC(=O)NCC(=O)NCC1C[NH+](CC(=O)NC2CC2)C1 ZINC001391474687 888632720 /nfs/dbraw/zinc/63/27/20/888632720.db2.gz GWYLMKGUJAVHDR-UHFFFAOYSA-N 1 2 298.343 -1.331 20 0 CAADLO Cn1ccc(CC(=O)NCC2C[NH+]([C@@H]3CCNC3=O)C2)n1 ZINC001391484345 888632829 /nfs/dbraw/zinc/63/28/29/888632829.db2.gz VAOKSMZUXQKIDZ-GFCCVEGCSA-N 1 2 291.355 -1.101 20 0 CAADLO CC(=O)NCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2[C@@H](C)C(=O)N(C)C ZINC001391520129 888634511 /nfs/dbraw/zinc/63/45/11/888634511.db2.gz GWIOVFLJKZVTIV-DLOVCJGASA-N 1 2 296.371 -1.116 20 0 CAADLO CC(=O)NCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@@H](C)C(=O)N(C)C ZINC001391520129 888634520 /nfs/dbraw/zinc/63/45/20/888634520.db2.gz GWIOVFLJKZVTIV-DLOVCJGASA-N 1 2 296.371 -1.116 20 0 CAADLO C[C@@H](C(N)=O)[NH+]1CC(CNC(=O)[C@@]2(C)CCNC(=O)C2)C1 ZINC001391490399 888634845 /nfs/dbraw/zinc/63/48/45/888634845.db2.gz WSFMTUCCXILJOH-XPTSAGLGSA-N 1 2 296.371 -1.176 20 0 CAADLO NC(=O)C[NH+]1CC(CNC(=O)COC[C@H]2CCCO2)C1 ZINC001391518555 888635531 /nfs/dbraw/zinc/63/55/31/888635531.db2.gz VSZDAMJZLDAFRT-LLVKDONJSA-N 1 2 285.344 -1.285 20 0 CAADLO CCNC(=O)C[NH+]1CC(CNC(=O)[C@H]2CCC(=O)N2C)C1 ZINC001391499865 888635598 /nfs/dbraw/zinc/63/55/98/888635598.db2.gz BPRSZKMKYCDCKW-LLVKDONJSA-N 1 2 296.371 -1.209 20 0 CAADLO NC(=O)NCCC(=O)NCC1C[NH+]([C@H]2CCNC2=O)C1 ZINC001391522343 888636029 /nfs/dbraw/zinc/63/60/29/888636029.db2.gz SHIOCCSRHVBQMM-VIFPVBQESA-N 1 2 283.332 -2.019 20 0 CAADLO C[C@H](C(N)=O)[NH+]1CC(CNC(=O)[C@@]2(C)CCNC(=O)C2)C1 ZINC001391490398 888636173 /nfs/dbraw/zinc/63/61/73/888636173.db2.gz WSFMTUCCXILJOH-OTYXRUKQSA-N 1 2 296.371 -1.176 20 0 CAADLO COC1CC(C(=O)NCC2C[NH+](CC(=O)NC(N)=O)C2)C1 ZINC001391487032 888636205 /nfs/dbraw/zinc/63/62/05/888636205.db2.gz LAVPWECYCIRNKF-UHFFFAOYSA-N 1 2 298.343 -1.346 20 0 CAADLO C[C@@H](C(N)=O)[NH+]1CC(CNC(=O)[C@@]2(C)CCC(=O)NC2)C1 ZINC001391500591 888636411 /nfs/dbraw/zinc/63/64/11/888636411.db2.gz IIMVXHKHGOYGIR-XPTSAGLGSA-N 1 2 296.371 -1.176 20 0 CAADLO O=C(Cc1nc[nH]n1)NCC1C[NH+](CC(=O)NC2CC2)C1 ZINC001391509791 888636469 /nfs/dbraw/zinc/63/64/69/888636469.db2.gz JOMOSSCHPFWOST-UHFFFAOYSA-N 1 2 292.343 -1.326 20 0 CAADLO CC(=O)N[C@@H](C(=O)N[C@@H]1CC[N@H+](CC(N)=O)C1)C(C)C ZINC001391593721 888638217 /nfs/dbraw/zinc/63/82/17/888638217.db2.gz QUXHQAINAPCAHB-ZYHUDNBSSA-N 1 2 284.360 -1.177 20 0 CAADLO CC(=O)N[C@@H](C(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C1)C(C)C ZINC001391593721 888638222 /nfs/dbraw/zinc/63/82/22/888638222.db2.gz QUXHQAINAPCAHB-ZYHUDNBSSA-N 1 2 284.360 -1.177 20 0 CAADLO CC[C@@H](CNC(=O)[C@H](C)NC(C)=O)[NH2+]Cc1nnn(C)n1 ZINC001391660083 888638322 /nfs/dbraw/zinc/63/83/22/888638322.db2.gz QLLSZRFLCRFLFG-WPRPVWTQSA-N 1 2 297.363 -1.281 20 0 CAADLO CCOCC(=O)N[C@@H]1CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001391569329 888638346 /nfs/dbraw/zinc/63/83/46/888638346.db2.gz QSXSYYOQBRYIEY-MRVPVSSYSA-N 1 2 272.305 -1.592 20 0 CAADLO CCOCC(=O)N[C@@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001391569329 888638350 /nfs/dbraw/zinc/63/83/50/888638350.db2.gz QSXSYYOQBRYIEY-MRVPVSSYSA-N 1 2 272.305 -1.592 20 0 CAADLO CC[C@H](NC(C)=O)C(=O)N(C)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001391616423 888638391 /nfs/dbraw/zinc/63/83/91/888638391.db2.gz BXADDYITFNVCGG-MNOVXSKESA-N 1 2 284.360 -1.081 20 0 CAADLO CC[C@H](NC(C)=O)C(=O)N(C)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001391616423 888638393 /nfs/dbraw/zinc/63/83/93/888638393.db2.gz BXADDYITFNVCGG-MNOVXSKESA-N 1 2 284.360 -1.081 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C(C)(C)NC(C)=O)C1 ZINC001391592727 888639928 /nfs/dbraw/zinc/63/99/28/888639928.db2.gz VLLAADYZJWLZAK-SNVBAGLBSA-N 1 2 284.360 -1.162 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)C(C)(C)NC(C)=O)C1 ZINC001391592727 888639937 /nfs/dbraw/zinc/63/99/37/888639937.db2.gz VLLAADYZJWLZAK-SNVBAGLBSA-N 1 2 284.360 -1.162 20 0 CAADLO CC[C@@H](NC(C)=O)C(=O)N(C)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001391616429 888640745 /nfs/dbraw/zinc/64/07/45/888640745.db2.gz BXADDYITFNVCGG-WDEREUQCSA-N 1 2 284.360 -1.081 20 0 CAADLO CC[C@@H](NC(C)=O)C(=O)N(C)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001391616429 888640752 /nfs/dbraw/zinc/64/07/52/888640752.db2.gz BXADDYITFNVCGG-WDEREUQCSA-N 1 2 284.360 -1.081 20 0 CAADLO CC[C@H](CNC(=O)[C@H]1CNC(=O)N1)[NH2+]Cc1nnn(C)n1 ZINC001391722645 888643684 /nfs/dbraw/zinc/64/36/84/888643684.db2.gz YUAHHGRILAAFSG-HTQZYQBOSA-N 1 2 296.335 -2.124 20 0 CAADLO CC[C@H](CNC(=O)c1cn[nH]n1)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001391702000 888643942 /nfs/dbraw/zinc/64/39/42/888643942.db2.gz URVNOCPEQVIVKG-SSDOTTSWSA-N 1 2 294.319 -1.475 20 0 CAADLO CC[C@H](CNC(=O)c1cnn[nH]1)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001391702000 888643960 /nfs/dbraw/zinc/64/39/60/888643960.db2.gz URVNOCPEQVIVKG-SSDOTTSWSA-N 1 2 294.319 -1.475 20 0 CAADLO COCCC(=O)NC[C@@H](O)CNC(=O)Cc1c[nH+]cn1C ZINC001391951323 888648991 /nfs/dbraw/zinc/64/89/91/888648991.db2.gz GYLJHWHMCHGNEU-LLVKDONJSA-N 1 2 298.343 -1.408 20 0 CAADLO C[C@H](NC(N)=O)C(=O)NC[C@H]1C[N@H+](CCO)CCO1 ZINC001391981094 888656178 /nfs/dbraw/zinc/65/61/78/888656178.db2.gz OUUXEOKSBSUVQU-IUCAKERBSA-N 1 2 274.321 -2.148 20 0 CAADLO C[C@H](NC(N)=O)C(=O)NC[C@H]1C[N@@H+](CCO)CCO1 ZINC001391981094 888656184 /nfs/dbraw/zinc/65/61/84/888656184.db2.gz OUUXEOKSBSUVQU-IUCAKERBSA-N 1 2 274.321 -2.148 20 0 CAADLO Cc1nnc(CC(=O)NC[C@H]2C[N@H+](C[C@H](C)O)CCO2)[nH]1 ZINC001391983948 888656281 /nfs/dbraw/zinc/65/62/81/888656281.db2.gz WZCMFDGWWMOXLS-ONGXEEELSA-N 1 2 297.359 -1.147 20 0 CAADLO Cc1nnc(CC(=O)NC[C@H]2C[N@@H+](C[C@H](C)O)CCO2)[nH]1 ZINC001391983948 888656290 /nfs/dbraw/zinc/65/62/90/888656290.db2.gz WZCMFDGWWMOXLS-ONGXEEELSA-N 1 2 297.359 -1.147 20 0 CAADLO O=C(CN1CCCCC1=O)NC[C@H]1C[N@H+](CCO)CCO1 ZINC001391982430 888656613 /nfs/dbraw/zinc/65/66/13/888656613.db2.gz UBFTXRNMEAHJGU-LBPRGKRZSA-N 1 2 299.371 -1.192 20 0 CAADLO O=C(CN1CCCCC1=O)NC[C@H]1C[N@@H+](CCO)CCO1 ZINC001391982430 888656619 /nfs/dbraw/zinc/65/66/19/888656619.db2.gz UBFTXRNMEAHJGU-LBPRGKRZSA-N 1 2 299.371 -1.192 20 0 CAADLO O=C(Cn1cc[nH+]c1)NC[C@H](O)CNC(=O)c1cocn1 ZINC001392028957 888659043 /nfs/dbraw/zinc/65/90/43/888659043.db2.gz FOFXODSAGIDSHD-VIFPVBQESA-N 1 2 293.283 -1.222 20 0 CAADLO O=C(Cn1cc[nH+]c1)NC[C@@H](O)CNC(=O)c1cocn1 ZINC001392028954 888659318 /nfs/dbraw/zinc/65/93/18/888659318.db2.gz FOFXODSAGIDSHD-SECBINFHSA-N 1 2 293.283 -1.222 20 0 CAADLO CC[C@@H](OC)C(=O)NC[C@H](O)CNC(=O)Cn1cc[nH+]c1 ZINC001392039422 888659478 /nfs/dbraw/zinc/65/94/78/888659478.db2.gz NEXHHPWYIBBYDU-GHMZBOCLSA-N 1 2 298.343 -1.099 20 0 CAADLO CC(C)OCC(=O)NC[C@H](O)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001392037974 888659797 /nfs/dbraw/zinc/65/97/97/888659797.db2.gz QVECZDFLESYAHL-LLVKDONJSA-N 1 2 298.343 -1.030 20 0 CAADLO O=C(Cn1cc[nH+]c1)NC[C@H](O)CNC(=O)c1cn[nH]n1 ZINC001392124026 888665004 /nfs/dbraw/zinc/66/50/04/888665004.db2.gz AYVZBICWZXHYNL-QMMMGPOBSA-N 1 2 293.287 -2.092 20 0 CAADLO CCNC(=O)C[N@H+](C)CCN(C)C(=O)[C@H](C)NC(N)=O ZINC001392269228 888669056 /nfs/dbraw/zinc/66/90/56/888669056.db2.gz MOXQXTYXKDQTGX-VIFPVBQESA-N 1 2 287.364 -1.431 20 0 CAADLO CCNC(=O)C[N@@H+](C)CCN(C)C(=O)[C@H](C)NC(N)=O ZINC001392269228 888669061 /nfs/dbraw/zinc/66/90/61/888669061.db2.gz MOXQXTYXKDQTGX-VIFPVBQESA-N 1 2 287.364 -1.431 20 0 CAADLO C[C@H](CNC(=O)Cc1c[nH]c[nH+]1)NC(=O)[C@H]1COCCO1 ZINC001392226454 888669635 /nfs/dbraw/zinc/66/96/35/888669635.db2.gz SWGCKYMYOKHHNO-MWLCHTKSSA-N 1 2 296.327 -1.012 20 0 CAADLO C[C@H](CNC(=O)Cc1c[nH]c[nH+]1)NC(=O)Cn1cnnn1 ZINC001392204035 888670328 /nfs/dbraw/zinc/67/03/28/888670328.db2.gz MAHRHAZKMCPXOP-MRVPVSSYSA-N 1 2 292.303 -1.740 20 0 CAADLO CNC(=O)C[N@@H+](C)CCN(C)C(=O)CCc1nnc[nH]1 ZINC001392265261 888670870 /nfs/dbraw/zinc/67/08/70/888670870.db2.gz GJWZPKBAEZXFLQ-UHFFFAOYSA-N 1 2 282.348 -1.127 20 0 CAADLO CNC(=O)C[N@H+](C)CCN(C)C(=O)CCc1nnc[nH]1 ZINC001392265261 888670862 /nfs/dbraw/zinc/67/08/62/888670862.db2.gz GJWZPKBAEZXFLQ-UHFFFAOYSA-N 1 2 282.348 -1.127 20 0 CAADLO CCn1nc(C(=O)N(C)CC[N@H+](C)CC(N)=O)ccc1=O ZINC001392314083 888671915 /nfs/dbraw/zinc/67/19/15/888671915.db2.gz SMLADHPCPZETQW-UHFFFAOYSA-N 1 2 295.343 -1.248 20 0 CAADLO CCn1nc(C(=O)N(C)CC[N@@H+](C)CC(N)=O)ccc1=O ZINC001392314083 888671919 /nfs/dbraw/zinc/67/19/19/888671919.db2.gz SMLADHPCPZETQW-UHFFFAOYSA-N 1 2 295.343 -1.248 20 0 CAADLO CCNC(=O)C[N@H+](C)CCN(C)C(=O)c1c[nH]c(=O)cn1 ZINC001392300764 888672561 /nfs/dbraw/zinc/67/25/61/888672561.db2.gz PQCOQHMYWVYCPA-UHFFFAOYSA-N 1 2 295.343 -1.090 20 0 CAADLO CCNC(=O)C[N@@H+](C)CCN(C)C(=O)c1c[nH]c(=O)cn1 ZINC001392300764 888672567 /nfs/dbraw/zinc/67/25/67/888672567.db2.gz PQCOQHMYWVYCPA-UHFFFAOYSA-N 1 2 295.343 -1.090 20 0 CAADLO CCC(=O)N[C@H](C)C(=O)N(C)CC[N@H+](C)CC(N)=O ZINC001392277385 888672903 /nfs/dbraw/zinc/67/29/03/888672903.db2.gz NQOMRMHYTJAIHP-SECBINFHSA-N 1 2 272.349 -1.223 20 0 CAADLO CCC(=O)N[C@H](C)C(=O)N(C)CC[N@@H+](C)CC(N)=O ZINC001392277385 888672909 /nfs/dbraw/zinc/67/29/09/888672909.db2.gz NQOMRMHYTJAIHP-SECBINFHSA-N 1 2 272.349 -1.223 20 0 CAADLO CN(CC[N@H+](C)Cc1nc(=O)n(C)[nH]1)C(=O)c1cnon1 ZINC001392315203 888673316 /nfs/dbraw/zinc/67/33/16/888673316.db2.gz XUOYWSUPHLHBAZ-UHFFFAOYSA-N 1 2 295.303 -1.305 20 0 CAADLO CN(CC[N@@H+](C)Cc1nc(=O)n(C)[nH]1)C(=O)c1cnon1 ZINC001392315203 888673324 /nfs/dbraw/zinc/67/33/24/888673324.db2.gz XUOYWSUPHLHBAZ-UHFFFAOYSA-N 1 2 295.303 -1.305 20 0 CAADLO CN(CC[N@H+](C)CC(N)=O)C(=O)[C@H]1CCC(=O)N1C ZINC001392299941 888673392 /nfs/dbraw/zinc/67/33/92/888673392.db2.gz YHRFPCBKIMFAFW-SECBINFHSA-N 1 2 270.333 -1.517 20 0 CAADLO CN(CC[N@@H+](C)CC(N)=O)C(=O)[C@H]1CCC(=O)N1C ZINC001392299941 888673397 /nfs/dbraw/zinc/67/33/97/888673397.db2.gz YHRFPCBKIMFAFW-SECBINFHSA-N 1 2 270.333 -1.517 20 0 CAADLO CS(=O)(=O)CCC(=O)NC[C@H]1CC[N@H+]1CCCO ZINC001392830590 888740347 /nfs/dbraw/zinc/74/03/47/888740347.db2.gz AJVDNAZESLTBJZ-SNVBAGLBSA-N 1 2 278.374 -1.006 20 0 CAADLO Cn1nncc1C(=O)NC[C@H](O)C[NH2+]Cc1cnsn1 ZINC001392364778 888685059 /nfs/dbraw/zinc/68/50/59/888685059.db2.gz BSKWYKHFXXFPDV-MRVPVSSYSA-N 1 2 297.344 -1.453 20 0 CAADLO NC(=O)C[NH2+]C[C@@H](O)CNC(=O)C(F)C(F)(F)F ZINC001392375370 888688105 /nfs/dbraw/zinc/68/81/05/888688105.db2.gz IGTIZVBDBSKFFV-XINAWCOVSA-N 1 2 275.202 -1.561 20 0 CAADLO NC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@H](F)C(F)(F)F ZINC001392375370 888688111 /nfs/dbraw/zinc/68/81/11/888688111.db2.gz IGTIZVBDBSKFFV-XINAWCOVSA-N 1 2 275.202 -1.561 20 0 CAADLO NC(=O)C[NH2+]C[C@@H](O)CNC(=O)c1[nH]nc2c1CCC2 ZINC001392388370 888690816 /nfs/dbraw/zinc/69/08/16/888690816.db2.gz OVWZHPCOFXWJPP-SSDOTTSWSA-N 1 2 281.316 -1.936 20 0 CAADLO O=C(NC[C@@H](O)C[NH2+]Cc1cnsn1)c1cn[nH]n1 ZINC001392382816 888691157 /nfs/dbraw/zinc/69/11/57/888691157.db2.gz DBPPXMLZTJFSRV-ZETCQYMHSA-N 1 2 283.317 -1.463 20 0 CAADLO Cc1cnc(C[NH2+]C[C@@H](O)CNC(=O)c2nc[nH]n2)cn1 ZINC001392408451 888697049 /nfs/dbraw/zinc/69/70/49/888697049.db2.gz ISKJUYUEMXTJME-SNVBAGLBSA-N 1 2 291.315 -1.216 20 0 CAADLO Cc1cc(C[NH2+]C[C@H](O)CNC(=O)c2ncn[nH]2)on1 ZINC001392408985 888702950 /nfs/dbraw/zinc/70/29/50/888702950.db2.gz KNPCTUABYQQAHG-QMMMGPOBSA-N 1 2 280.288 -1.018 20 0 CAADLO Cc1cc(C[NH2+]C[C@H](O)CNC(=O)c2nc[nH]n2)on1 ZINC001392408985 888702961 /nfs/dbraw/zinc/70/29/61/888702961.db2.gz KNPCTUABYQQAHG-QMMMGPOBSA-N 1 2 280.288 -1.018 20 0 CAADLO Cn1nnc(CNC[C@H](O)CNC(=O)Cn2cc[nH+]c2)n1 ZINC001392426647 888707957 /nfs/dbraw/zinc/70/79/57/888707957.db2.gz KIQDIKJVRSGQJU-VIFPVBQESA-N 1 2 294.319 -2.327 20 0 CAADLO Cc1ncoc1C[NH2+]C[C@@H](O)CNC(=O)Cc1nnc[nH]1 ZINC001392421596 888708046 /nfs/dbraw/zinc/70/80/46/888708046.db2.gz JPBUNOOQEAAMEB-SECBINFHSA-N 1 2 294.315 -1.089 20 0 CAADLO O=C(Cc1nc[nH]n1)NC[C@@H](O)C[NH2+]Cc1nncs1 ZINC001392432956 888708303 /nfs/dbraw/zinc/70/83/03/888708303.db2.gz ZULHWNIAMQGNAX-ZETCQYMHSA-N 1 2 297.344 -1.534 20 0 CAADLO CC(=O)NCC(=O)N[C@H](C)C[NH2+]Cc1nc(N(C)C)no1 ZINC001392457287 888709435 /nfs/dbraw/zinc/70/94/35/888709435.db2.gz JSBCBMVCAUDNLT-MRVPVSSYSA-N 1 2 298.347 -1.134 20 0 CAADLO C[C@H](C[NH2+]Cc1nc(=O)n(C)[nH]1)NC(=O)Cc1nc[nH]n1 ZINC001392525054 888721091 /nfs/dbraw/zinc/72/10/91/888721091.db2.gz MYSOUEVSHDZVBG-SSDOTTSWSA-N 1 2 294.319 -1.937 20 0 CAADLO C[C@H](C[NH2+]Cc1nc(=O)n(C)[nH]1)NC(=O)Cc1nnc[nH]1 ZINC001392525054 888721103 /nfs/dbraw/zinc/72/11/03/888721103.db2.gz MYSOUEVSHDZVBG-SSDOTTSWSA-N 1 2 294.319 -1.937 20 0 CAADLO C[C@@H](C[NH2+]Cc1csnn1)NC(=O)[C@@H]1CNC(=O)N1 ZINC001392588306 888724274 /nfs/dbraw/zinc/72/42/74/888724274.db2.gz AJMYEKGYAGRQFY-XPUUQOCRSA-N 1 2 284.345 -1.186 20 0 CAADLO CC(=O)NCC(=O)N[C@@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001392661647 888729709 /nfs/dbraw/zinc/72/97/09/888729709.db2.gz KAHPAESOKMIATD-VIFPVBQESA-N 1 2 281.316 -1.360 20 0 CAADLO C[C@H](C[N@H+](C)CC(N)=O)NC(=O)c1cn(C)ccc1=O ZINC001392679939 888732614 /nfs/dbraw/zinc/73/26/14/888732614.db2.gz VYQUKDZZWVSRHP-SECBINFHSA-N 1 2 280.328 -1.079 20 0 CAADLO C[C@H](C[N@@H+](C)CC(N)=O)NC(=O)c1cn(C)ccc1=O ZINC001392679939 888732620 /nfs/dbraw/zinc/73/26/20/888732620.db2.gz VYQUKDZZWVSRHP-SECBINFHSA-N 1 2 280.328 -1.079 20 0 CAADLO CN1CC[C@H]([N@@H+]2CC[C@H]2CNC(=O)Cn2cnnn2)C1=O ZINC001392809276 888739020 /nfs/dbraw/zinc/73/90/20/888739020.db2.gz FEDGFANQUARBKZ-UWVGGRQHSA-N 1 2 293.331 -1.906 20 0 CAADLO CN1CC[C@H]([N@H+]2CC[C@H]2CNC(=O)Cn2cnnn2)C1=O ZINC001392809276 888739032 /nfs/dbraw/zinc/73/90/32/888739032.db2.gz FEDGFANQUARBKZ-UWVGGRQHSA-N 1 2 293.331 -1.906 20 0 CAADLO O=C(Cn1cnnn1)NC[C@H]1CC[N@@H+]1[C@@H]1CCNC1=O ZINC001392817377 888739525 /nfs/dbraw/zinc/73/95/25/888739525.db2.gz WIUPGKCNXNNVAO-RKDXNWHRSA-N 1 2 279.304 -2.248 20 0 CAADLO O=C(Cn1cnnn1)NC[C@H]1CC[N@H+]1[C@@H]1CCNC1=O ZINC001392817377 888739537 /nfs/dbraw/zinc/73/95/37/888739537.db2.gz WIUPGKCNXNNVAO-RKDXNWHRSA-N 1 2 279.304 -2.248 20 0 CAADLO O=C(Cn1cnnn1)NC[C@H]1CC[N@@H+]1[C@H]1CCNC1=O ZINC001392817271 888739615 /nfs/dbraw/zinc/73/96/15/888739615.db2.gz WIUPGKCNXNNVAO-BDAKNGLRSA-N 1 2 279.304 -2.248 20 0 CAADLO O=C(Cn1cnnn1)NC[C@H]1CC[N@H+]1[C@H]1CCNC1=O ZINC001392817271 888739628 /nfs/dbraw/zinc/73/96/28/888739628.db2.gz WIUPGKCNXNNVAO-BDAKNGLRSA-N 1 2 279.304 -2.248 20 0 CAADLO CCC(=O)NCC(=O)NC[C@@H]1CC[N@H+]1[C@@H](CC)C(N)=O ZINC001392825469 888739964 /nfs/dbraw/zinc/73/99/64/888739964.db2.gz SIHYTANKTPDUDS-UWVGGRQHSA-N 1 2 284.360 -1.033 20 0 CAADLO CCC(=O)NCC(=O)NC[C@@H]1CC[N@@H+]1[C@@H](CC)C(N)=O ZINC001392825469 888739972 /nfs/dbraw/zinc/73/99/72/888739972.db2.gz SIHYTANKTPDUDS-UWVGGRQHSA-N 1 2 284.360 -1.033 20 0 CAADLO O=C(Cn1cnnn1)NC[C@H]1CC[N@@H+]1[C@H]1CCCNC1=O ZINC001392815506 888740011 /nfs/dbraw/zinc/74/00/11/888740011.db2.gz SITAIQSJZMDSJA-ZJUUUORDSA-N 1 2 293.331 -1.858 20 0 CAADLO O=C(Cn1cnnn1)NC[C@H]1CC[N@H+]1[C@H]1CCCNC1=O ZINC001392815506 888740019 /nfs/dbraw/zinc/74/00/19/888740019.db2.gz SITAIQSJZMDSJA-ZJUUUORDSA-N 1 2 293.331 -1.858 20 0 CAADLO CS(=O)(=O)CCC(=O)NC[C@H]1CC[N@@H+]1CCCO ZINC001392830590 888740339 /nfs/dbraw/zinc/74/03/39/888740339.db2.gz AJVDNAZESLTBJZ-SNVBAGLBSA-N 1 2 278.374 -1.006 20 0 CAADLO CS(=O)(=O)CCC(=O)NC[C@@H]1CC[N@@H+]1CCCO ZINC001392830583 888740434 /nfs/dbraw/zinc/74/04/34/888740434.db2.gz AJVDNAZESLTBJZ-JTQLQIEISA-N 1 2 278.374 -1.006 20 0 CAADLO CS(=O)(=O)CCC(=O)NC[C@@H]1CC[N@H+]1CCCO ZINC001392830583 888740440 /nfs/dbraw/zinc/74/04/40/888740440.db2.gz AJVDNAZESLTBJZ-JTQLQIEISA-N 1 2 278.374 -1.006 20 0 CAADLO Cn1c(=O)ccn(CC(=O)NC[C@@H]2CC[N@@H+]2CCF)c1=O ZINC001392828246 888741245 /nfs/dbraw/zinc/74/12/45/888741245.db2.gz DGNTWHOYQHQIKS-JTQLQIEISA-N 1 2 298.318 -1.293 20 0 CAADLO Cn1c(=O)ccn(CC(=O)NC[C@@H]2CC[N@H+]2CCF)c1=O ZINC001392828246 888741252 /nfs/dbraw/zinc/74/12/52/888741252.db2.gz DGNTWHOYQHQIKS-JTQLQIEISA-N 1 2 298.318 -1.293 20 0 CAADLO CC(=O)NCC(=O)NC[C@@H]1CC[N@H+]1[C@@H](C)C(=O)N(C)C ZINC001392818284 888741348 /nfs/dbraw/zinc/74/13/48/888741348.db2.gz WBUUSLPDDZAFSQ-ONGXEEELSA-N 1 2 284.360 -1.210 20 0 CAADLO CC(=O)NCC(=O)NC[C@@H]1CC[N@@H+]1[C@@H](C)C(=O)N(C)C ZINC001392818284 888741358 /nfs/dbraw/zinc/74/13/58/888741358.db2.gz WBUUSLPDDZAFSQ-ONGXEEELSA-N 1 2 284.360 -1.210 20 0 CAADLO CC(=O)NCC(=O)NC[C@H]1CC[N@H+]1CC(=O)N(C)C ZINC001392813383 888741515 /nfs/dbraw/zinc/74/15/15/888741515.db2.gz ODQAUAWDALDXBP-SNVBAGLBSA-N 1 2 270.333 -1.599 20 0 CAADLO CC(=O)NCC(=O)NC[C@H]1CC[N@@H+]1CC(=O)N(C)C ZINC001392813383 888741523 /nfs/dbraw/zinc/74/15/23/888741523.db2.gz ODQAUAWDALDXBP-SNVBAGLBSA-N 1 2 270.333 -1.599 20 0 CAADLO C[C@@H](CC(N)=O)C(=O)NC[C@@H]1CC[N@@H+]1CC(=O)N(C)C ZINC001392850457 888743497 /nfs/dbraw/zinc/74/34/97/888743497.db2.gz CGPYXORODUSNLJ-UWVGGRQHSA-N 1 2 284.360 -1.223 20 0 CAADLO C[C@@H](CC(N)=O)C(=O)NC[C@@H]1CC[N@H+]1CC(=O)N(C)C ZINC001392850457 888743509 /nfs/dbraw/zinc/74/35/09/888743509.db2.gz CGPYXORODUSNLJ-UWVGGRQHSA-N 1 2 284.360 -1.223 20 0 CAADLO C[C@H](CC(N)=O)C(=O)NC[C@H]1CC[N@@H+]1CC(=O)N(C)C ZINC001392850454 888744040 /nfs/dbraw/zinc/74/40/40/888744040.db2.gz CGPYXORODUSNLJ-NXEZZACHSA-N 1 2 284.360 -1.223 20 0 CAADLO C[C@H](CC(N)=O)C(=O)NC[C@H]1CC[N@H+]1CC(=O)N(C)C ZINC001392850454 888744046 /nfs/dbraw/zinc/74/40/46/888744046.db2.gz CGPYXORODUSNLJ-NXEZZACHSA-N 1 2 284.360 -1.223 20 0 CAADLO Cn1nnnc1C[NH2+]C1(CNC(=O)[C@H]2COCCO2)CC1 ZINC001392886239 888744538 /nfs/dbraw/zinc/74/45/38/888744538.db2.gz HICZZLYUSNXZSX-SECBINFHSA-N 1 2 296.331 -1.636 20 0 CAADLO C[C@H](CC(N)=O)C(=O)NC[C@@H]1CC[N@@H+]1CC(=O)N(C)C ZINC001392850461 888745482 /nfs/dbraw/zinc/74/54/82/888745482.db2.gz CGPYXORODUSNLJ-ZJUUUORDSA-N 1 2 284.360 -1.223 20 0 CAADLO C[C@H](CC(N)=O)C(=O)NC[C@@H]1CC[N@H+]1CC(=O)N(C)C ZINC001392850461 888745499 /nfs/dbraw/zinc/74/54/99/888745499.db2.gz CGPYXORODUSNLJ-ZJUUUORDSA-N 1 2 284.360 -1.223 20 0 CAADLO Cc1nonc1C[NH2+]C1(CNC(=O)[C@H]2CNC(=O)N2)CC1 ZINC001392928536 888748388 /nfs/dbraw/zinc/74/83/88/888748388.db2.gz JXFACYOGIHGCEK-SECBINFHSA-N 1 2 294.315 -1.202 20 0 CAADLO Cc1nonc1C(=O)NCC1([NH2+]Cc2nnnn2C)CC1 ZINC001392965333 888748410 /nfs/dbraw/zinc/74/84/10/888748410.db2.gz SBUCFPLCDGHMJK-UHFFFAOYSA-N 1 2 292.303 -1.046 20 0 CAADLO Cc1nonc1C[NH2+]C1(CNC(=O)[C@@H]2CNC(=O)N2)CC1 ZINC001392928543 888749623 /nfs/dbraw/zinc/74/96/23/888749623.db2.gz JXFACYOGIHGCEK-VIFPVBQESA-N 1 2 294.315 -1.202 20 0 CAADLO C[C@@H](CNC(=O)[C@H](C)NC(N)=O)NC(=O)Cn1cc[nH+]c1 ZINC001392910504 888750117 /nfs/dbraw/zinc/75/01/17/888750117.db2.gz CPKAOEKSMGUVRH-IUCAKERBSA-N 1 2 296.331 -1.439 20 0 CAADLO COC[C@H](O)C[NH+]1CC(N(C)C(=O)c2cnn(C)c2N)C1 ZINC001393005521 888750663 /nfs/dbraw/zinc/75/06/63/888750663.db2.gz OSKWZYIAJSJVCU-SNVBAGLBSA-N 1 2 297.359 -1.234 20 0 CAADLO COC[C@@H](OC)C(=O)N(C)C1C[NH+](C[C@H](O)COC)C1 ZINC001393015310 888751388 /nfs/dbraw/zinc/75/13/88/888751388.db2.gz PDJDZFDHMIMFIT-NWDGAFQWSA-N 1 2 290.360 -1.202 20 0 CAADLO CN(C(=O)CCC(=O)N1CCOCC1)C1C[NH+](CCO)C1 ZINC001393023849 888751790 /nfs/dbraw/zinc/75/17/90/888751790.db2.gz ZFQLYYMHQOCCAD-UHFFFAOYSA-N 1 2 299.371 -1.240 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(N(C)C(=O)[C@H]2CCCC(=O)N2)C1 ZINC001393001393 888752194 /nfs/dbraw/zinc/75/21/94/888752194.db2.gz OPXQTZCOYRHTLE-NWDGAFQWSA-N 1 2 299.371 -1.195 20 0 CAADLO CNC(=O)NC(=O)C[N@@H+]1CC[C@@](C)(NC(=O)COC)C1 ZINC001393091884 888754434 /nfs/dbraw/zinc/75/44/34/888754434.db2.gz BPOBTTACALKEJJ-GFCCVEGCSA-N 1 2 286.332 -1.331 20 0 CAADLO CNC(=O)NC(=O)C[N@H+]1CC[C@@](C)(NC(=O)COC)C1 ZINC001393091884 888754438 /nfs/dbraw/zinc/75/44/38/888754438.db2.gz BPOBTTACALKEJJ-GFCCVEGCSA-N 1 2 286.332 -1.331 20 0 CAADLO C[C@H](C(=O)N[C@@]1(C)CC[N@H+](CC(N)=O)C1)n1cncn1 ZINC001393098770 888755006 /nfs/dbraw/zinc/75/50/06/888755006.db2.gz SYIHSIRDGABYCA-SKDRFNHKSA-N 1 2 280.332 -1.095 20 0 CAADLO C[C@H](C(=O)N[C@@]1(C)CC[N@@H+](CC(N)=O)C1)n1cncn1 ZINC001393098770 888755018 /nfs/dbraw/zinc/75/50/18/888755018.db2.gz SYIHSIRDGABYCA-SKDRFNHKSA-N 1 2 280.332 -1.095 20 0 CAADLO COC[C@H](OC)C(=O)N[C@]1(C)CC[N@H+](CC(N)=O)C1 ZINC001393121217 888758285 /nfs/dbraw/zinc/75/82/85/888758285.db2.gz YORPADLMPIWFST-JOYOIKCWSA-N 1 2 273.333 -1.286 20 0 CAADLO COC[C@H](OC)C(=O)N[C@]1(C)CC[N@@H+](CC(N)=O)C1 ZINC001393121217 888758290 /nfs/dbraw/zinc/75/82/90/888758290.db2.gz YORPADLMPIWFST-JOYOIKCWSA-N 1 2 273.333 -1.286 20 0 CAADLO C[C@@]1(NC(=O)[C@@H]2CCCO2)CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001393100837 888758704 /nfs/dbraw/zinc/75/87/04/888758704.db2.gz WMHOQKBABPTNLZ-TVQRCGJNSA-N 1 2 298.343 -1.059 20 0 CAADLO C[C@@]1(NC(=O)[C@@H]2CCCO2)CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001393100837 888758709 /nfs/dbraw/zinc/75/87/09/888758709.db2.gz WMHOQKBABPTNLZ-TVQRCGJNSA-N 1 2 298.343 -1.059 20 0 CAADLO C[C@]1(NC(=O)[C@@H]2CCCO2)CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001393100838 888760208 /nfs/dbraw/zinc/76/02/08/888760208.db2.gz WMHOQKBABPTNLZ-ZANVPECISA-N 1 2 298.343 -1.059 20 0 CAADLO C[C@]1(NC(=O)[C@@H]2CCCO2)CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001393100838 888760216 /nfs/dbraw/zinc/76/02/16/888760216.db2.gz WMHOQKBABPTNLZ-ZANVPECISA-N 1 2 298.343 -1.059 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)c2cnns2)C1 ZINC001393240807 888764801 /nfs/dbraw/zinc/76/48/01/888764801.db2.gz VQZNHTZBAIDVGE-SNVBAGLBSA-N 1 2 285.329 -1.810 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)c2cnns2)C1 ZINC001393240807 888764809 /nfs/dbraw/zinc/76/48/09/888764809.db2.gz VQZNHTZBAIDVGE-SNVBAGLBSA-N 1 2 285.329 -1.810 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(O)(CNC(=O)[C@@H](C)SC)C1 ZINC001393295303 888771088 /nfs/dbraw/zinc/77/10/88/888771088.db2.gz HGUUGQKLJADZCX-ZJUUUORDSA-N 1 2 292.401 -1.092 20 0 CAADLO O=C(CCn1cccn1)NCC1(O)C[NH+](CCCO)C1 ZINC001393287670 888772499 /nfs/dbraw/zinc/77/24/99/888772499.db2.gz AESSSWLIZLCKOV-UHFFFAOYSA-N 1 2 282.344 -1.182 20 0 CAADLO CCO[C@H](C)C(=O)NCC1(O)C[NH+](C[C@@H](O)COC)C1 ZINC001393298245 888774081 /nfs/dbraw/zinc/77/40/81/888774081.db2.gz PJGZLTTWJYNZBD-GHMZBOCLSA-N 1 2 290.360 -1.418 20 0 CAADLO O=C(NCC1(O)C[NH+](CCCO)C1)c1cnc2n1CCC2 ZINC001393314591 888774655 /nfs/dbraw/zinc/77/46/55/888774655.db2.gz LTHZWRWIZAGHQL-UHFFFAOYSA-N 1 2 294.355 -1.012 20 0 CAADLO COC[C@@H](C)[NH+]1CC(O)(CNC(=O)[C@@H]2CC(=O)N(C)C2)C1 ZINC001393313096 888774913 /nfs/dbraw/zinc/77/49/13/888774913.db2.gz BBOXAYTUULPHFU-GHMZBOCLSA-N 1 2 299.371 -1.338 20 0 CAADLO C[C@H](O)C[NH+]1CC(O)(CNC(=O)[C@H](C)NC(N)=O)C1 ZINC001393301739 888775317 /nfs/dbraw/zinc/77/53/17/888775317.db2.gz GSCLCNDZMXMFHL-YUMQZZPRSA-N 1 2 274.321 -2.413 20 0 CAADLO Cn1cnc(C(=O)NCC2(O)C[NH+](CCCF)C2)cc1=O ZINC001393315446 888775573 /nfs/dbraw/zinc/77/55/73/888775573.db2.gz OHMUSBXKUMAKNL-UHFFFAOYSA-N 1 2 298.318 -1.084 20 0 CAADLO C[C@H](O)CCC[NH+]1CC(O)(CNC(=O)c2cn(C)nn2)C1 ZINC001393307954 888775710 /nfs/dbraw/zinc/77/57/10/888775710.db2.gz ZXRFKDQJVWDRTL-JTQLQIEISA-N 1 2 297.359 -1.247 20 0 CAADLO CCO[C@@H](C)C(=O)NCC1(O)C[NH+](C[C@@H](O)COC)C1 ZINC001393298246 888775734 /nfs/dbraw/zinc/77/57/34/888775734.db2.gz PJGZLTTWJYNZBD-WDEREUQCSA-N 1 2 290.360 -1.418 20 0 CAADLO C[C@@H](O)C[NH+]1CC(O)(CNC(=O)CC2(O)CCC2)C1 ZINC001393313928 888775801 /nfs/dbraw/zinc/77/58/01/888775801.db2.gz FEUHFPDCZLAWHD-SNVBAGLBSA-N 1 2 272.345 -1.165 20 0 CAADLO COC[C@H](C)[NH+]1CC(O)(CNC(=O)c2nnn(C)c2C)C1 ZINC001393302628 888775966 /nfs/dbraw/zinc/77/59/66/888775966.db2.gz IADUGWAUAFHGFT-VIFPVBQESA-N 1 2 297.359 -1.065 20 0 CAADLO C[C@H](O)C[NH+]1CC(O)(CNC(=O)c2c[nH]c(=O)cn2)C1 ZINC001393333077 888777971 /nfs/dbraw/zinc/77/79/71/888777971.db2.gz FVVNTXNKWNKVCR-QMMMGPOBSA-N 1 2 282.300 -2.073 20 0 CAADLO CO[C@H](C)C[NH+]1CC(O)(CNC(=O)c2nnn(C)n2)C1 ZINC001393331958 888778001 /nfs/dbraw/zinc/77/80/01/888778001.db2.gz JDQLGHTVVMCISX-MRVPVSSYSA-N 1 2 284.320 -1.979 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(O)(CNC(=O)[C@H]2C[C@@H]2C)C1 ZINC001393332074 888778027 /nfs/dbraw/zinc/77/80/27/888778027.db2.gz KDDZONVVXIVPPI-DCAQKATOSA-N 1 2 272.345 -1.187 20 0 CAADLO C[C@@H](O)C[NH+]1CC(O)(CNC(=O)c2c[nH]c(=O)cn2)C1 ZINC001393333048 888779145 /nfs/dbraw/zinc/77/91/45/888779145.db2.gz FVVNTXNKWNKVCR-MRVPVSSYSA-N 1 2 282.300 -2.073 20 0 CAADLO C[C@@H](O)C[NH+]1CC(O)(CNC(=O)C[C@H]2CCNC2=O)C1 ZINC001393320174 888779003 /nfs/dbraw/zinc/77/90/03/888779003.db2.gz RIBNECFSYGJDIK-NXEZZACHSA-N 1 2 285.344 -1.944 20 0 CAADLO CO[C@H](C)C[NH+]1CC(O)(CNC(=O)[C@H]2CC(=O)N(C)C2)C1 ZINC001393316050 888779226 /nfs/dbraw/zinc/77/92/26/888779226.db2.gz NRFMWVYHNYCPFA-MNOVXSKESA-N 1 2 299.371 -1.338 20 0 CAADLO COC[C@H](C)[NH+]1CC(O)(CNC(=O)CCn2cnnn2)C1 ZINC001393337022 888780973 /nfs/dbraw/zinc/78/09/73/888780973.db2.gz BFNYSDUAXGYDMF-JTQLQIEISA-N 1 2 298.347 -1.739 20 0 CAADLO Cc1[nH+]c[nH]c1CC(=O)NCC1(O)CN([C@H](C)C(N)=O)C1 ZINC001393355523 888781487 /nfs/dbraw/zinc/78/14/87/888781487.db2.gz MOZGZMWEJKTEEQ-SECBINFHSA-N 1 2 295.343 -1.703 20 0 CAADLO Cn1cccc(C(=O)NCC2(O)C[NH+](CCCO)C2)c1=O ZINC001393356891 888781593 /nfs/dbraw/zinc/78/15/93/888781593.db2.gz ASBABNMTILWGHB-UHFFFAOYSA-N 1 2 295.339 -1.456 20 0 CAADLO O=C(Cc1[nH]cc[nH+]1)NCC1(O)CN([C@@H]2CCNC2=O)C1 ZINC001393339693 888782266 /nfs/dbraw/zinc/78/22/66/888782266.db2.gz ISLDOEZOWFCVJW-SECBINFHSA-N 1 2 293.327 -1.996 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(O)(CNC(=O)c2ccn(C)n2)C1 ZINC001393353491 888782393 /nfs/dbraw/zinc/78/23/93/888782393.db2.gz JGDXTYNTFCYHRE-JTQLQIEISA-N 1 2 298.343 -1.796 20 0 CAADLO O=C(C[C@H]1CCC(=O)N1)NCC1(O)C[NH+](CCCO)C1 ZINC001393349136 888782804 /nfs/dbraw/zinc/78/28/04/888782804.db2.gz QKRYKCZNNLJNNN-SNVBAGLBSA-N 1 2 285.344 -1.800 20 0 CAADLO C[C@@H](O)CN1CC(O)(CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001393355597 888783455 /nfs/dbraw/zinc/78/34/55/888783455.db2.gz OSSZTSURVAZQJR-SNVBAGLBSA-N 1 2 282.344 -1.494 20 0 CAADLO C[C@@H](O)C[NH+]1CC(O)(CNC(=O)Cc2cncn2C)C1 ZINC001393355597 888783463 /nfs/dbraw/zinc/78/34/63/888783463.db2.gz OSSZTSURVAZQJR-SNVBAGLBSA-N 1 2 282.344 -1.494 20 0 CAADLO O=C(NCC1(O)C[NH+](CCCO)C1)c1cnn2cc[nH]c12 ZINC001393358057 888783799 /nfs/dbraw/zinc/78/37/99/888783799.db2.gz IZNSQVQCPBVOOF-UHFFFAOYSA-N 1 2 293.327 -1.179 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(O)(CNC(=O)Cn2cncn2)C1 ZINC001393352242 888783843 /nfs/dbraw/zinc/78/38/43/888783843.db2.gz HTMGRKWSBFMVNH-JTQLQIEISA-N 1 2 299.331 -2.552 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@](CO)(NC(=O)Cn2cncn2)C1 ZINC001393459886 888784709 /nfs/dbraw/zinc/78/47/09/888784709.db2.gz MGKUHMAZTAALHN-LBPRGKRZSA-N 1 2 296.331 -2.294 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@](CO)(NC(=O)Cn2cncn2)C1 ZINC001393459886 888784719 /nfs/dbraw/zinc/78/47/19/888784719.db2.gz MGKUHMAZTAALHN-LBPRGKRZSA-N 1 2 296.331 -2.294 20 0 CAADLO O=C(N[C@]1(CO)CCC[N@@H+](CCCO)C1)c1nc[nH]n1 ZINC001393446329 888785572 /nfs/dbraw/zinc/78/55/72/888785572.db2.gz JTPXJFOVEYNDEU-GFCCVEGCSA-N 1 2 283.332 -1.256 20 0 CAADLO O=C(N[C@]1(CO)CCC[N@H+](CCCO)C1)c1nc[nH]n1 ZINC001393446329 888785585 /nfs/dbraw/zinc/78/55/85/888785585.db2.gz JTPXJFOVEYNDEU-GFCCVEGCSA-N 1 2 283.332 -1.256 20 0 CAADLO CNC(=O)C[N@@H+]1CCC[C@](CO)(NC(=O)[C@H]2CCCO2)C1 ZINC001393441164 888786140 /nfs/dbraw/zinc/78/61/40/888786140.db2.gz UTLWDJUJBCQDJL-RISCZKNCSA-N 1 2 299.371 -1.146 20 0 CAADLO CNC(=O)C[N@H+]1CCC[C@](CO)(NC(=O)[C@H]2CCCO2)C1 ZINC001393441164 888786147 /nfs/dbraw/zinc/78/61/47/888786147.db2.gz UTLWDJUJBCQDJL-RISCZKNCSA-N 1 2 299.371 -1.146 20 0 CAADLO CNC(=O)C[N@@H+]1CCC[C@](CO)(NC(=O)c2ccn[nH]2)C1 ZINC001393430423 888787013 /nfs/dbraw/zinc/78/70/13/888787013.db2.gz AMFNLZZZXXZIBP-ZDUSSCGKSA-N 1 2 295.343 -1.288 20 0 CAADLO CNC(=O)C[N@H+]1CCC[C@](CO)(NC(=O)c2ccn[nH]2)C1 ZINC001393430423 888787015 /nfs/dbraw/zinc/78/70/15/888787015.db2.gz AMFNLZZZXXZIBP-ZDUSSCGKSA-N 1 2 295.343 -1.288 20 0 CAADLO CC[N@@H+]1CCOC[C@H]1CNC(=O)CCNS(C)(=O)=O ZINC001393507467 888789421 /nfs/dbraw/zinc/78/94/21/888789421.db2.gz PIGALBKYRBBWQO-SNVBAGLBSA-N 1 2 293.389 -1.237 20 0 CAADLO CC[N@H+]1CCOC[C@H]1CNC(=O)CCNS(C)(=O)=O ZINC001393507467 888789427 /nfs/dbraw/zinc/78/94/27/888789427.db2.gz PIGALBKYRBBWQO-SNVBAGLBSA-N 1 2 293.389 -1.237 20 0 CAADLO CC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@@H](C)NS(C)(=O)=O ZINC001393522747 888789853 /nfs/dbraw/zinc/78/98/53/888789853.db2.gz FHKDWFZBBHNTLO-ZJUUUORDSA-N 1 2 293.389 -1.239 20 0 CAADLO CC[N@H+]1CCOC[C@@H]1CNC(=O)[C@@H](C)NS(C)(=O)=O ZINC001393522747 888789864 /nfs/dbraw/zinc/78/98/64/888789864.db2.gz FHKDWFZBBHNTLO-ZJUUUORDSA-N 1 2 293.389 -1.239 20 0 CAADLO CC[N@@H+]1CCOC[C@@H]1CNC(=O)CNS(=O)(=O)NC ZINC001393510152 888790104 /nfs/dbraw/zinc/79/01/04/888790104.db2.gz MPLKLKWZYHXLOJ-VIFPVBQESA-N 1 2 294.377 -2.123 20 0 CAADLO CC[N@H+]1CCOC[C@@H]1CNC(=O)CNS(=O)(=O)NC ZINC001393510152 888790114 /nfs/dbraw/zinc/79/01/14/888790114.db2.gz MPLKLKWZYHXLOJ-VIFPVBQESA-N 1 2 294.377 -2.123 20 0 CAADLO C[C@H](O)C[N@@H+]1CCOC[C@H]1CNC(=O)CCNC(N)=O ZINC001393512312 888790582 /nfs/dbraw/zinc/79/05/82/888790582.db2.gz MMDVOWRYJKMEOA-VHSXEESVSA-N 1 2 288.348 -1.757 20 0 CAADLO C[C@H](O)C[N@H+]1CCOC[C@H]1CNC(=O)CCNC(N)=O ZINC001393512312 888790590 /nfs/dbraw/zinc/79/05/90/888790590.db2.gz MMDVOWRYJKMEOA-VHSXEESVSA-N 1 2 288.348 -1.757 20 0 CAADLO C[C@@H](O)C[N@@H+]1CCOC[C@@H]1CNC(=O)CCn1ccnn1 ZINC001393512798 888790913 /nfs/dbraw/zinc/79/09/13/888790913.db2.gz RMQDPWMDLLSPII-NEPJUHHUSA-N 1 2 297.359 -1.134 20 0 CAADLO C[C@@H](O)C[N@H+]1CCOC[C@@H]1CNC(=O)CCn1ccnn1 ZINC001393512798 888790923 /nfs/dbraw/zinc/79/09/23/888790923.db2.gz RMQDPWMDLLSPII-NEPJUHHUSA-N 1 2 297.359 -1.134 20 0 CAADLO CC[N@@H+]1CCOC[C@@H]1CNC(=O)CN1CCN(C)C(=O)C1 ZINC001393508196 888790965 /nfs/dbraw/zinc/79/09/65/888790965.db2.gz TXEMSGVAHHZEDN-LBPRGKRZSA-N 1 2 298.387 -1.403 20 0 CAADLO CC[N@H+]1CCOC[C@@H]1CNC(=O)CN1CCN(C)C(=O)C1 ZINC001393508196 888790976 /nfs/dbraw/zinc/79/09/76/888790976.db2.gz TXEMSGVAHHZEDN-LBPRGKRZSA-N 1 2 298.387 -1.403 20 0 CAADLO COCC(=O)NCC1([NH2+]Cc2nc(=O)n(C)[nH]2)CCC1 ZINC001393524409 888791024 /nfs/dbraw/zinc/79/10/24/888791024.db2.gz QOKFEWRSFOBLFH-UHFFFAOYSA-N 1 2 283.332 -1.117 20 0 CAADLO O=C(C[C@H]1CCC(=O)N1)NC[C@H]1COCC[N@H+]1CCCO ZINC001393528574 888791559 /nfs/dbraw/zinc/79/15/59/888791559.db2.gz VTIWILSEYHJKFY-NEPJUHHUSA-N 1 2 299.371 -1.146 20 0 CAADLO O=C(C[C@H]1CCC(=O)N1)NC[C@H]1COCC[N@@H+]1CCCO ZINC001393528574 888791569 /nfs/dbraw/zinc/79/15/69/888791569.db2.gz VTIWILSEYHJKFY-NEPJUHHUSA-N 1 2 299.371 -1.146 20 0 CAADLO Cn1c[nH+]cc1CC(=O)NC[C@H]1COCCN1CC(N)=O ZINC001393526371 888791636 /nfs/dbraw/zinc/79/16/36/888791636.db2.gz WUQZNPGBAIITIX-NSHDSACASA-N 1 2 295.343 -1.735 20 0 CAADLO CCOCC(=O)N1CC[C@H]([NH+]2CCN(CC(N)=O)CC2)C1 ZINC001393586685 888795865 /nfs/dbraw/zinc/79/58/65/888795865.db2.gz KRAXMLIARQXXOG-LBPRGKRZSA-N 1 2 298.387 -1.273 20 0 CAADLO NC(=O)CCCC(=O)N[C@@H]1COC2(C[NH+](CCO)C2)C1 ZINC001393670752 888798227 /nfs/dbraw/zinc/79/82/27/888798227.db2.gz FHZBUZBDDUEAFK-JTQLQIEISA-N 1 2 285.344 -1.406 20 0 CAADLO CC[C@@H](NC(C)=O)C(=O)N[C@@H]1COC2(C[NH+](CCO)C2)C1 ZINC001393657151 888799223 /nfs/dbraw/zinc/79/92/23/888799223.db2.gz HGCTXVAHDUEBMQ-NWDGAFQWSA-N 1 2 299.371 -1.147 20 0 CAADLO CC(=O)N(C)CC(=O)N[C@H]1COC2(C[NH+](CCCO)C2)C1 ZINC001393665899 888799404 /nfs/dbraw/zinc/79/94/04/888799404.db2.gz MUSVLWJONYSILQ-GFCCVEGCSA-N 1 2 299.371 -1.193 20 0 CAADLO CCC(=O)NCC(=O)N[C@H]1COC2(C[NH+](CCO)C2)C1 ZINC001393668812 888800780 /nfs/dbraw/zinc/80/07/80/888800780.db2.gz PTAQLMWUHRKMGY-SNVBAGLBSA-N 1 2 285.344 -1.536 20 0 CAADLO O=C(Cc1nc[nH]n1)NC[C@@H]1CCC2(C[NH+](CCO)C2)O1 ZINC001393672346 888800957 /nfs/dbraw/zinc/80/09/57/888800957.db2.gz RQSJHOITOCOXGF-JTQLQIEISA-N 1 2 295.343 -1.311 20 0 CAADLO C[C@H]1CN(C(=O)Cc2ncn[nH]2)C[C@H]1[NH2+]CC(=O)N(C)C ZINC001393751887 888802447 /nfs/dbraw/zinc/80/24/47/888802447.db2.gz SYPHUNUMWKZHCF-VHSXEESVSA-N 1 2 294.359 -1.128 20 0 CAADLO C[C@@H]1CN(C(=O)Cc2ncn[nH]2)C[C@@H]1[NH2+]CC(=O)N(C)C ZINC001393751891 888804291 /nfs/dbraw/zinc/80/42/91/888804291.db2.gz SYPHUNUMWKZHCF-ZJUUUORDSA-N 1 2 294.359 -1.128 20 0 CAADLO NC(=O)C[NH+]1CCC(CO)(NC(=O)c2ccn[nH]2)CC1 ZINC001393839421 888806651 /nfs/dbraw/zinc/80/66/51/888806651.db2.gz YCGMZJRIDUPFRN-UHFFFAOYSA-N 1 2 281.316 -1.548 20 0 CAADLO NC(=O)C[NH+]1CCC(CO)(NC(=O)[C@H]2CCC(=O)N2)CC1 ZINC001393844380 888808046 /nfs/dbraw/zinc/80/80/46/888808046.db2.gz MYLSJSFYJBIDDY-SECBINFHSA-N 1 2 298.343 -2.307 20 0 CAADLO NC(=O)C[NH+]1CCC(CO)(NC(=O)c2cn[nH]c2)CC1 ZINC001393836886 888808688 /nfs/dbraw/zinc/80/86/88/888808688.db2.gz JEFKTQNFAMIPQO-UHFFFAOYSA-N 1 2 281.316 -1.548 20 0 CAADLO CCO[C@H]1C[C@H]1C(=O)NC1(CO)CC[NH+](CC(N)=O)CC1 ZINC001393837938 888808710 /nfs/dbraw/zinc/80/87/10/888808710.db2.gz OZIYHXLRNNDJGG-MNOVXSKESA-N 1 2 299.371 -1.160 20 0 CAADLO CNC(=O)C[NH+]1CCC(CO)(NC(=O)c2cnco2)CC1 ZINC001393846049 888809182 /nfs/dbraw/zinc/80/91/82/888809182.db2.gz YACDYGMZKWBNOI-UHFFFAOYSA-N 1 2 296.327 -1.023 20 0 CAADLO C[C@H](NC(=O)Cn1cncn1)[C@H](C)[NH2+]Cc1nnn(C)n1 ZINC001394000205 888811461 /nfs/dbraw/zinc/81/14/61/888811461.db2.gz SLIMXHODRYOLCQ-IUCAKERBSA-N 1 2 293.335 -1.515 20 0 CAADLO C[C@@H]([NH2+]Cc1nnn(C)n1)[C@H](C)NC(=O)Cn1cncn1 ZINC001394000202 888811466 /nfs/dbraw/zinc/81/14/66/888811466.db2.gz SLIMXHODRYOLCQ-BDAKNGLRSA-N 1 2 293.335 -1.515 20 0 CAADLO COCC[NH+]1CC(CCO)(NC(=O)CNC(=O)OC)C1 ZINC001394146632 888817307 /nfs/dbraw/zinc/81/73/07/888817307.db2.gz HKKOFKXNSKYSKT-UHFFFAOYSA-N 1 2 289.332 -1.458 20 0 CAADLO COC[C@H](O)C[NH+]1CC(CCO)(NC(=O)[C@@H](C)OC)C1 ZINC001394147326 888817594 /nfs/dbraw/zinc/81/75/94/888817594.db2.gz DCPCUWBYSCSTKX-GHMZBOCLSA-N 1 2 290.360 -1.418 20 0 CAADLO O=C(CCc1nnc[nH]1)NC1(CCO)C[NH+](CCCO)C1 ZINC001394148835 888818032 /nfs/dbraw/zinc/81/80/32/888818032.db2.gz TVMSGDLYQDUUJC-UHFFFAOYSA-N 1 2 297.359 -1.327 20 0 CAADLO COC[C@H](O)C[NH+]1CC(CCO)(NC(=O)[C@H](C)OC)C1 ZINC001394147327 888818521 /nfs/dbraw/zinc/81/85/21/888818521.db2.gz DCPCUWBYSCSTKX-WDEREUQCSA-N 1 2 290.360 -1.418 20 0 CAADLO CNC(=O)NCCC(=O)NC1(CCO)C[NH+](CCO)C1 ZINC001394150382 888818624 /nfs/dbraw/zinc/81/86/24/888818624.db2.gz SKGDFTKLFSNFGZ-UHFFFAOYSA-N 1 2 288.348 -2.149 20 0 CAADLO C[C@@H](NC(=O)Cc1ccn(C)n1)C1C[NH+](CC(N)=O)C1 ZINC001394231418 888820351 /nfs/dbraw/zinc/82/03/51/888820351.db2.gz JNWAIFIHJOWPRM-SECBINFHSA-N 1 2 279.344 -1.116 20 0 CAADLO Cc1nonc1CC(=O)NC1(CCO)C[NH+](C[C@@H](C)O)C1 ZINC001394161933 888820836 /nfs/dbraw/zinc/82/08/36/888820836.db2.gz QTHZHUJBFHMTHB-SECBINFHSA-N 1 2 298.343 -1.146 20 0 CAADLO C[C@H](C(N)=O)N1CC(CCO)(NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001394158114 888821059 /nfs/dbraw/zinc/82/10/59/888821059.db2.gz LVSOZXOOBTZBNJ-SECBINFHSA-N 1 2 295.343 -1.621 20 0 CAADLO CC[NH+]1CC(CCO)(NC(=O)CN2CCOCC2=O)C1 ZINC001394153051 888822521 /nfs/dbraw/zinc/82/25/21/888822521.db2.gz PDYXCWIAENEIGP-UHFFFAOYSA-N 1 2 285.344 -1.582 20 0 CAADLO C[C@H](NC(=O)[C@]1(C)CCC(=O)N1)C1C[NH+](CC(N)=O)C1 ZINC001394245058 888822711 /nfs/dbraw/zinc/82/27/11/888822711.db2.gz DTMGQRKPOQUVFN-SDBXPKJASA-N 1 2 282.344 -1.423 20 0 CAADLO COCC[NH+]1CC(CCO)(NC(=O)Cn2ncnn2)C1 ZINC001394152296 888823012 /nfs/dbraw/zinc/82/30/12/888823012.db2.gz IQYURLQJIPUFSD-UHFFFAOYSA-N 1 2 284.320 -2.128 20 0 CAADLO CNC(=O)C[NH+]1CC([C@H](C)NC(=O)Cc2nnc(C)[nH]2)C1 ZINC001394231047 888823136 /nfs/dbraw/zinc/82/31/36/888823136.db2.gz ISARVZDLWNBINO-QMMMGPOBSA-N 1 2 294.359 -1.162 20 0 CAADLO C[C@@H](NC(=O)[C@]1(C)CCC(=O)N1)C1C[NH+](CC(N)=O)C1 ZINC001394245051 888823213 /nfs/dbraw/zinc/82/32/13/888823213.db2.gz DTMGQRKPOQUVFN-OQPBUACISA-N 1 2 282.344 -1.423 20 0 CAADLO C[C@H]1OCC[C@@H]1C(=O)NC1(CCO)C[NH+](CCO)C1 ZINC001394160822 888823296 /nfs/dbraw/zinc/82/32/96/888823296.db2.gz JDNGKISJZJOJLH-MNOVXSKESA-N 1 2 272.345 -1.043 20 0 CAADLO CC1(C)C[N@H+](CC(N)=O)C[C@@H]1NC(=O)CCn1cnnn1 ZINC001394316054 888826184 /nfs/dbraw/zinc/82/61/84/888826184.db2.gz YSVPTFRMCGSUEW-VIFPVBQESA-N 1 2 295.347 -1.625 20 0 CAADLO CC1(C)C[N@@H+](CC(N)=O)C[C@@H]1NC(=O)CCn1cnnn1 ZINC001394316054 888826199 /nfs/dbraw/zinc/82/61/99/888826199.db2.gz YSVPTFRMCGSUEW-VIFPVBQESA-N 1 2 295.347 -1.625 20 0 CAADLO CC1(C)C[N@H+](CC(N)=O)C[C@H]1NC(=O)CCn1cnnn1 ZINC001394316052 888826328 /nfs/dbraw/zinc/82/63/28/888826328.db2.gz YSVPTFRMCGSUEW-SECBINFHSA-N 1 2 295.347 -1.625 20 0 CAADLO CC1(C)C[N@@H+](CC(N)=O)C[C@H]1NC(=O)CCn1cnnn1 ZINC001394316052 888826351 /nfs/dbraw/zinc/82/63/51/888826351.db2.gz YSVPTFRMCGSUEW-SECBINFHSA-N 1 2 295.347 -1.625 20 0 CAADLO CNS(=O)(=O)CC(=O)N[C@H](C)C1C[NH+](CC(N)=O)C1 ZINC001394249316 888826387 /nfs/dbraw/zinc/82/63/87/888826387.db2.gz GHFODKYWMGHKSA-SSDOTTSWSA-N 1 2 292.361 -2.543 20 0 CAADLO Cn1nnnc1C[NH2+][C@@H](CO)CNC(=O)c1ccco1 ZINC001394564820 888833341 /nfs/dbraw/zinc/83/33/41/888833341.db2.gz PURJKPFTQORKDQ-MRVPVSSYSA-N 1 2 280.288 -1.316 20 0 CAADLO Cn1[nH]c(C[NH2+][C@@H](CO)CNC(=O)CC2CC2)nc1=O ZINC001394566865 888833607 /nfs/dbraw/zinc/83/36/07/888833607.db2.gz XGZFOGXHUAXJJJ-SECBINFHSA-N 1 2 283.332 -1.525 20 0 CAADLO Cn1cc(C[NH2+][C@H](CO)CNC(=O)[C@@H]2COCCO2)nn1 ZINC001394568278 888835012 /nfs/dbraw/zinc/83/50/12/888835012.db2.gz CBEFPYRNMNZXHO-QWRGUYRKSA-N 1 2 299.331 -2.203 20 0 CAADLO O=C(NC[C@@H](CO)[NH2+]Cc1nnc2n1CCOC2)C1CC1 ZINC001394565273 888835551 /nfs/dbraw/zinc/83/55/51/888835551.db2.gz OUXRRCJHPGMYPW-JTQLQIEISA-N 1 2 295.343 -1.215 20 0 CAADLO CNC(=O)[C@@H](C)[NH2+][C@@H](C)CN(C)C(=O)Cc1ncn[nH]1 ZINC001394545285 888836209 /nfs/dbraw/zinc/83/62/09/888836209.db2.gz OCAQIMAYCOCEBE-DTWKUNHWSA-N 1 2 282.348 -1.082 20 0 CAADLO CCn1ncnc1C[NH2+][C@H](CO)CNC(=O)[C@H](C)OC ZINC001394574213 888837957 /nfs/dbraw/zinc/83/79/57/888837957.db2.gz IJAPMXNKNIDWNY-UWVGGRQHSA-N 1 2 285.348 -1.100 20 0 CAADLO CCn1ncc(C[NH2+][C@H](CO)CNC(=O)[C@@H]2CCOC2)n1 ZINC001394578197 888842374 /nfs/dbraw/zinc/84/23/74/888842374.db2.gz RNZLPDVERNFFRT-PWSUYJOCSA-N 1 2 297.359 -1.099 20 0 CAADLO Cn1nnnc1C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCCO1 ZINC001394576663 888844115 /nfs/dbraw/zinc/84/41/15/888844115.db2.gz MFASSRKJDYRHLV-BDAKNGLRSA-N 1 2 284.320 -2.044 20 0 CAADLO Cc1nnc(C[NH2+][C@@H](CO)CNC(=O)c2ccon2)[nH]1 ZINC001394576976 888844283 /nfs/dbraw/zinc/84/42/83/888844283.db2.gz VMRILNZQAUEQGU-MRVPVSSYSA-N 1 2 280.288 -1.018 20 0 CAADLO Cc1nnc(C[NH2+][C@H](CO)CNC(=O)c2ccon2)[nH]1 ZINC001394576980 888845212 /nfs/dbraw/zinc/84/52/12/888845212.db2.gz VMRILNZQAUEQGU-QMMMGPOBSA-N 1 2 280.288 -1.018 20 0 CAADLO CCn1ncc(C[NH2+][C@@H](CO)CNC(=O)[C@@H]2CCOC2)n1 ZINC001394578198 888845878 /nfs/dbraw/zinc/84/58/78/888845878.db2.gz RNZLPDVERNFFRT-ZYHUDNBSSA-N 1 2 297.359 -1.099 20 0 CAADLO Cn1[nH]c(C[NH2+][C@@H](CO)CNC(=O)[C@H]2CCCO2)nc1=O ZINC001394580797 888848340 /nfs/dbraw/zinc/84/83/40/888848340.db2.gz ZWLAJNYKOWPJSD-RKDXNWHRSA-N 1 2 299.331 -2.146 20 0 CAADLO COC[C@@H](C)C(=O)NC[C@H](CO)[NH2+]Cc1ncnn1C ZINC001394585181 888849693 /nfs/dbraw/zinc/84/96/93/888849693.db2.gz XYOOYMJBGYVIPK-NXEZZACHSA-N 1 2 285.348 -1.336 20 0 CAADLO Cn1[nH]c(C[NH2+][C@@H](CO)CNC(=O)[C@@H]2CCCO2)nc1=O ZINC001394580790 888849354 /nfs/dbraw/zinc/84/93/54/888849354.db2.gz ZWLAJNYKOWPJSD-BDAKNGLRSA-N 1 2 299.331 -2.146 20 0 CAADLO CO[C@H](C(=O)NC[C@H](CO)[NH2+]Cc1nncn1C)C1CC1 ZINC001394586662 888853588 /nfs/dbraw/zinc/85/35/88/888853588.db2.gz YDRDZJZLAISYDZ-PWSUYJOCSA-N 1 2 297.359 -1.193 20 0 CAADLO Cn1nnnc1C[NH2+][C@H](CO)CNC(=O)c1cc[nH]c1 ZINC001394594368 888856391 /nfs/dbraw/zinc/85/63/91/888856391.db2.gz WUPVEWQODAJPNS-VIFPVBQESA-N 1 2 279.304 -1.581 20 0 CAADLO Cn1cncc1C[NH2+][C@@H](CO)CNC(=O)c1cnn[nH]1 ZINC001394604366 888857007 /nfs/dbraw/zinc/85/70/07/888857007.db2.gz MFKKCTVLSXTJEF-MRVPVSSYSA-N 1 2 279.304 -1.581 20 0 CAADLO Cn1cncc1C[NH2+][C@H](CO)CNC(=O)c1cnn[nH]1 ZINC001394604372 888857991 /nfs/dbraw/zinc/85/79/91/888857991.db2.gz MFKKCTVLSXTJEF-QMMMGPOBSA-N 1 2 279.304 -1.581 20 0 CAADLO CC[C@H](F)C(=O)NC[C@H](CO)[NH2+]Cc1nnnn1C ZINC001394615071 888862021 /nfs/dbraw/zinc/86/20/21/888862021.db2.gz LFMMDQWBKOMNGA-SFYZADRCSA-N 1 2 274.300 -1.475 20 0 CAADLO CC[C@@H](F)C(=O)NC[C@H](CO)[NH2+]Cc1nnnn1C ZINC001394615066 888862083 /nfs/dbraw/zinc/86/20/83/888862083.db2.gz LFMMDQWBKOMNGA-HTQZYQBOSA-N 1 2 274.300 -1.475 20 0 CAADLO CC[C@@H](F)C(=O)NC[C@@H](CO)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001394620844 888863998 /nfs/dbraw/zinc/86/39/98/888863998.db2.gz VANRCIOHHJVDPY-JGVFFNPUSA-N 1 2 289.311 -1.577 20 0 CAADLO CN1CC(C(=O)NC[C@H](CO)[NH2+][C@H]2CCNC2=O)=NC1=O ZINC001394621680 888865494 /nfs/dbraw/zinc/86/54/94/888865494.db2.gz QAGVMQHVOYBPFI-SFYZADRCSA-N 1 2 297.315 -2.306 20 0 CAADLO Cn1cnnc1C[NH2+][C@H](CO)CNC(=O)[C@H]1CNC(=O)N1 ZINC001394625788 888866547 /nfs/dbraw/zinc/86/65/47/888866547.db2.gz ZTZHBCSKIFSIOJ-JGVFFNPUSA-N 1 2 297.319 -2.937 20 0 CAADLO Cn1ccnc1C[NH2+][C@H](CO)CNC(=O)Cc1ncc[nH]1 ZINC001394642337 888868312 /nfs/dbraw/zinc/86/83/12/888868312.db2.gz HYONRNHYWJQNJZ-JTQLQIEISA-N 1 2 292.343 -1.047 20 0 CAADLO O=C(CCn1cnnn1)NC[C@@H](CO)[NH2+]Cc1ccon1 ZINC001394641826 888869888 /nfs/dbraw/zinc/86/98/88/888869888.db2.gz GEBFKJDWUDVRRG-JTQLQIEISA-N 1 2 295.303 -1.682 20 0 CAADLO Cc1cnoc1C(=O)NC[C@H](CO)[NH2+]Cc1nnnn1C ZINC001394642135 888870592 /nfs/dbraw/zinc/87/05/92/888870592.db2.gz LMRSREXQJAVRFP-MRVPVSSYSA-N 1 2 295.303 -1.613 20 0 CAADLO Cn1nnnc1C[NH2+][C@H](CO)CNC(=O)C(C)(C)C ZINC001394643006 888870826 /nfs/dbraw/zinc/87/08/26/888870826.db2.gz IOVXBJMFNGALPS-QMMMGPOBSA-N 1 2 270.337 -1.177 20 0 CAADLO CN1CC[C@@H]([NH2+][C@H](CO)CNC(=O)Cc2nnc[nH]2)C1=O ZINC001394642647 888870882 /nfs/dbraw/zinc/87/08/82/888870882.db2.gz HALRKONDEQLWSU-DTWKUNHWSA-N 1 2 296.331 -2.355 20 0 CAADLO O=C(CCn1cnnn1)NC[C@H](CO)[NH2+]Cc1ccon1 ZINC001394641827 888870978 /nfs/dbraw/zinc/87/09/78/888870978.db2.gz GEBFKJDWUDVRRG-SNVBAGLBSA-N 1 2 295.303 -1.682 20 0 CAADLO Cc1nc[nH]c1C(=O)NC[C@H](CO)[NH2+]Cc1cnn(C)n1 ZINC001394657126 888874249 /nfs/dbraw/zinc/87/42/49/888874249.db2.gz DJCBVPUJIDYYGH-SNVBAGLBSA-N 1 2 293.331 -1.273 20 0 CAADLO Cc1nc[nH]c1C(=O)NC[C@H](CO)[NH2+]Cc1ncnn1C ZINC001394661190 888877662 /nfs/dbraw/zinc/87/76/62/888877662.db2.gz ZJGLXDDLUAPFTL-SECBINFHSA-N 1 2 293.331 -1.273 20 0 CAADLO Cn1cc(CN[C@@H](CO)CNC(=O)Cn2cc[nH+]c2)nn1 ZINC001394659806 888877720 /nfs/dbraw/zinc/87/77/20/888877720.db2.gz SYIQQZQUKCYIGU-LLVKDONJSA-N 1 2 293.331 -1.722 20 0 CAADLO Cn1ccc(C(=O)NC[C@H](CO)[NH2+]Cc2cnn(C)n2)n1 ZINC001394658556 888880517 /nfs/dbraw/zinc/88/05/17/888880517.db2.gz XTEJUTLYXDLHNS-SNVBAGLBSA-N 1 2 293.331 -1.571 20 0 CAADLO Cc1noc(C[NH2+]C[C@H](O)CN(C)C(=O)c2cn[nH]n2)n1 ZINC001394739819 888886847 /nfs/dbraw/zinc/88/68/47/888886847.db2.gz GDLPTQNRZXJCMC-QMMMGPOBSA-N 1 2 295.303 -1.281 20 0 CAADLO CN(C[C@H](O)C[NH2+]CC(N)=O)C(=O)Cc1ncn[nH]1 ZINC001394759409 888891458 /nfs/dbraw/zinc/89/14/58/888891458.db2.gz TTXDDEHVUPCVJK-SSDOTTSWSA-N 1 2 270.293 -2.759 20 0 CAADLO CCOCC(=O)NC[C@@H](CO)NC(=O)Cc1[nH]c[nH+]c1C ZINC001395679660 888913449 /nfs/dbraw/zinc/91/34/49/888913449.db2.gz HJMMMPVRMKKUGN-JTQLQIEISA-N 1 2 298.343 -1.110 20 0 CAADLO COCCC(=O)NC[C@H](CO)NC(=O)Cc1[nH]cc[nH+]1 ZINC001395676159 888914162 /nfs/dbraw/zinc/91/41/62/888914162.db2.gz CHFNHSMGBKNSHF-SECBINFHSA-N 1 2 284.316 -1.418 20 0 CAADLO Cn1c[nH+]cc1CC(=O)N[C@H](CO)CNC(=O)C(F)F ZINC001395683968 888916159 /nfs/dbraw/zinc/91/61/59/888916159.db2.gz ZKKBXRSXYMAUQW-ZETCQYMHSA-N 1 2 290.270 -1.179 20 0 CAADLO CO[C@H](C)C(=O)NC[C@@H](CO)NC(=O)Cc1[nH]cc[nH+]1 ZINC001395700612 888919727 /nfs/dbraw/zinc/91/97/27/888919727.db2.gz VFLDRROKTLKAGN-BDAKNGLRSA-N 1 2 284.316 -1.420 20 0 CAADLO CO[C@@H](C)CC(=O)NC[C@@H](CO)NC(=O)Cn1cc[nH+]c1 ZINC001395696240 888920343 /nfs/dbraw/zinc/92/03/43/888920343.db2.gz JOGPOFXEIUXWOU-QWRGUYRKSA-N 1 2 298.343 -1.099 20 0 CAADLO COCC(=O)N[C@H](CO)CNC(=O)Cn1cc[nH+]c1 ZINC001395751857 888927787 /nfs/dbraw/zinc/92/77/87/888927787.db2.gz ATBWUXATSMCZDK-VIFPVBQESA-N 1 2 270.289 -1.877 20 0 CAADLO CO[C@@H](C)C(=O)N[C@H](CO)CNC(=O)Cc1[nH]c[nH+]c1C ZINC001395777490 888929976 /nfs/dbraw/zinc/92/99/76/888929976.db2.gz LMKBKMXMKFMXCA-UWVGGRQHSA-N 1 2 298.343 -1.111 20 0 CAADLO CC(C)[C@@H](O)C(=O)N[C@H](CO)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001395785908 888930449 /nfs/dbraw/zinc/93/04/49/888930449.db2.gz DBCLUFGZANMYSZ-JOYOIKCWSA-N 1 2 298.343 -1.438 20 0 CAADLO COC[C@@H](C)C(=O)N[C@@H](CO)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001395791797 888932266 /nfs/dbraw/zinc/93/22/66/888932266.db2.gz PEQJDUBLPLUBKP-NXEZZACHSA-N 1 2 298.343 -1.172 20 0 CAADLO COCC(=O)NC[C@H](O)CN(C)C(=O)CCn1cc[nH+]c1 ZINC001396033492 888939658 /nfs/dbraw/zinc/93/96/58/888939658.db2.gz CNZVBWUVDFXSKS-NSHDSACASA-N 1 2 298.343 -1.145 20 0 CAADLO COCC(=O)NC[C@@H](O)CN(C)C(=O)CCn1cc[nH+]c1 ZINC001396033489 888940323 /nfs/dbraw/zinc/94/03/23/888940323.db2.gz CNZVBWUVDFXSKS-LLVKDONJSA-N 1 2 298.343 -1.145 20 0 CAADLO CO[C@H](C)C(=O)NC[C@H](O)CN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001396046913 888940398 /nfs/dbraw/zinc/94/03/98/888940398.db2.gz IZULNFLQPRSFDA-ZJUUUORDSA-N 1 2 298.343 -1.077 20 0 CAADLO CO[C@@H](C)C(=O)NC[C@@H](O)CN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001396046909 888940900 /nfs/dbraw/zinc/94/09/00/888940900.db2.gz IZULNFLQPRSFDA-VHSXEESVSA-N 1 2 298.343 -1.077 20 0 CAADLO COCC(=O)N[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1O ZINC001396416937 888942805 /nfs/dbraw/zinc/94/28/05/888942805.db2.gz BHGJZMFNKDRYJT-BDAKNGLRSA-N 1 2 282.300 -1.714 20 0 CAADLO CC(=O)NCC(=O)N1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001396740505 888949452 /nfs/dbraw/zinc/94/94/52/888949452.db2.gz OQTOPHUICMWRKR-SNVBAGLBSA-N 1 2 293.327 -1.195 20 0 CAADLO COCC(=O)N[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1O ZINC001396625556 888950813 /nfs/dbraw/zinc/95/08/13/888950813.db2.gz OURVTUBFNCCFGZ-NXEZZACHSA-N 1 2 296.327 -1.323 20 0 CAADLO NC(=O)NCC(=O)N1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001396941614 888952027 /nfs/dbraw/zinc/95/20/27/888952027.db2.gz UPHWMIPQSGBWEX-MRVPVSSYSA-N 1 2 294.315 -1.662 20 0 CAADLO CS(=O)(=O)CCC(=O)N[C@@H]1C[N@H+](CCCO)C[C@@H]1O ZINC001396926077 888952728 /nfs/dbraw/zinc/95/27/28/888952728.db2.gz CYRJNJCDCMPIQP-ZJUUUORDSA-N 1 2 294.373 -2.035 20 0 CAADLO CS(=O)(=O)CCC(=O)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001396926077 888952741 /nfs/dbraw/zinc/95/27/41/888952741.db2.gz CYRJNJCDCMPIQP-ZJUUUORDSA-N 1 2 294.373 -2.035 20 0 CAADLO CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2nnn(C)n2)[C@H]1C ZINC001397245885 888959081 /nfs/dbraw/zinc/95/90/81/888959081.db2.gz QEJSJLLXGUFSIT-BDAKNGLRSA-N 1 2 295.347 -1.461 20 0 CAADLO CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2nnn(C)n2)[C@H]1C ZINC001397245885 888959089 /nfs/dbraw/zinc/95/90/89/888959089.db2.gz QEJSJLLXGUFSIT-BDAKNGLRSA-N 1 2 295.347 -1.461 20 0 CAADLO CCOCC(=O)N[C@H]1CC[N@H+](CC(=O)NC(N)=O)[C@@H]1C ZINC001397228320 888959648 /nfs/dbraw/zinc/95/96/48/888959648.db2.gz YNQQAUBOUQWFLS-BDAKNGLRSA-N 1 2 286.332 -1.203 20 0 CAADLO CCOCC(=O)N[C@H]1CC[N@@H+](CC(=O)NC(N)=O)[C@@H]1C ZINC001397228320 888959654 /nfs/dbraw/zinc/95/96/54/888959654.db2.gz YNQQAUBOUQWFLS-BDAKNGLRSA-N 1 2 286.332 -1.203 20 0 CAADLO CC[C@@H](NC(C)=O)C(=O)N[C@H]1CC[N@H+](CC(N)=O)[C@@H]1C ZINC001397268028 888960178 /nfs/dbraw/zinc/96/01/78/888960178.db2.gz BOGKAZCCSJPDHI-IEBDPFPHSA-N 1 2 284.360 -1.035 20 0 CAADLO CC[C@@H](NC(C)=O)C(=O)N[C@H]1CC[N@@H+](CC(N)=O)[C@@H]1C ZINC001397268028 888960197 /nfs/dbraw/zinc/96/01/97/888960197.db2.gz BOGKAZCCSJPDHI-IEBDPFPHSA-N 1 2 284.360 -1.035 20 0 CAADLO CC(=O)NCC(=O)NC[C@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001397369333 888962281 /nfs/dbraw/zinc/96/22/81/888962281.db2.gz SOQAJUYIPUBQEM-VIFPVBQESA-N 1 2 295.343 -1.280 20 0 CAADLO CC(=O)NCC(=O)NC[C@@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001397369330 888962900 /nfs/dbraw/zinc/96/29/00/888962900.db2.gz SOQAJUYIPUBQEM-SECBINFHSA-N 1 2 295.343 -1.280 20 0 CAADLO C[C@H](CNC(=O)Cn1ncnn1)NC(=O)Cn1cc[nH+]c1 ZINC001397449146 888966484 /nfs/dbraw/zinc/96/64/84/888966484.db2.gz IJSMRZQHRBDMKT-SECBINFHSA-N 1 2 292.303 -1.809 20 0 CAADLO C[C@H](CNC(=O)Cc1[nH]cc[nH+]1)NC(=O)[C@H]1C[C@H]1C(N)=O ZINC001397551772 888968811 /nfs/dbraw/zinc/96/88/11/888968811.db2.gz ZJCIFQDQZRGOSQ-HLTSFMKQSA-N 1 2 293.327 -1.306 20 0 CAADLO C[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)NC(=O)[C@H]1C[C@H]1C(N)=O ZINC001397551795 888968981 /nfs/dbraw/zinc/96/89/81/888968981.db2.gz ZJCIFQDQZRGOSQ-YIZRAAEISA-N 1 2 293.327 -1.306 20 0 CAADLO C[C@H](CNC(=O)[C@@H]1CCC(=O)N1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001397532336 888969319 /nfs/dbraw/zinc/96/93/19/888969319.db2.gz WICIAQMXMPMHQW-SCZZXKLOSA-N 1 2 293.327 -1.148 20 0 CAADLO CC(=O)NCC(=O)N[C@H](C)CNC(=O)Cc1c[nH+]cn1C ZINC001397504494 888969952 /nfs/dbraw/zinc/96/99/52/888969952.db2.gz PTUMZXFVIGBYCG-SECBINFHSA-N 1 2 295.343 -1.280 20 0 CAADLO C[C@@H](CNC(=O)Cn1cc[nH+]c1)NC(=O)c1cn[nH]n1 ZINC001397489452 888970339 /nfs/dbraw/zinc/97/03/39/888970339.db2.gz NOISCCNCCMPMLL-QMMMGPOBSA-N 1 2 277.288 -1.064 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)Cn1cncn1 ZINC001397564769 888971733 /nfs/dbraw/zinc/97/17/33/888971733.db2.gz FUOPGKPPZGTGAP-JTQLQIEISA-N 1 2 280.332 -1.443 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)Cn1cncn1 ZINC001397564769 888971747 /nfs/dbraw/zinc/97/17/47/888971747.db2.gz FUOPGKPPZGTGAP-JTQLQIEISA-N 1 2 280.332 -1.443 20 0 CAADLO C[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)NC(=O)[C@H]1COCCO1 ZINC001397634215 888972234 /nfs/dbraw/zinc/97/22/34/888972234.db2.gz SWGCKYMYOKHHNO-GXSJLCMTSA-N 1 2 296.327 -1.012 20 0 CAADLO C[C@H](CNC(=O)Cc1c[nH]c[nH+]1)NC(=O)[C@@H]1CNC(=O)N1 ZINC001397618299 888972876 /nfs/dbraw/zinc/97/28/76/888972876.db2.gz FAMDNHNGEYOBDI-APPZFPTMSA-N 1 2 294.315 -1.746 20 0 CAADLO CN(CCNC(=O)Cn1cc[nH+]c1)C(=O)[C@H]1COCCO1 ZINC001397949678 888982064 /nfs/dbraw/zinc/98/20/64/888982064.db2.gz KOCFFFRKLOQBOT-LLVKDONJSA-N 1 2 296.327 -1.127 20 0 CAADLO CN(CCNC(=O)Cc1[nH]cc[nH+]1)C(=O)[C@H]1CCC(=O)N1 ZINC001398025755 888985984 /nfs/dbraw/zinc/98/59/84/888985984.db2.gz YMGYGTQYLXDIQP-SECBINFHSA-N 1 2 293.327 -1.195 20 0 CAADLO CN(CCNC(=O)[C@H]1CNC(=O)N1)C(=O)Cn1cc[nH+]c1 ZINC001398017151 888986997 /nfs/dbraw/zinc/98/69/97/888986997.db2.gz VNEWZUFEHVRYRT-SECBINFHSA-N 1 2 294.315 -1.861 20 0 CAADLO C[C@H](C(N)=O)[NH+]1CCN(CCNC(=O)[C@@H]2CCCO2)CC1 ZINC001398253664 888988014 /nfs/dbraw/zinc/98/80/14/888988014.db2.gz FCAPBSOJWGFSSA-NEPJUHHUSA-N 1 2 298.387 -1.227 20 0 CAADLO C[C@@H](C(=O)NC(N)=O)[N@@H+]1CC[C@H](NC(=O)c2cn[nH]c2)C1 ZINC001398283104 888988526 /nfs/dbraw/zinc/98/85/26/888988526.db2.gz BQERKXYGHXSUBX-CBAPKCEASA-N 1 2 294.315 -1.203 20 0 CAADLO C[C@@H](C(=O)NC(N)=O)[N@H+]1CC[C@H](NC(=O)c2cn[nH]c2)C1 ZINC001398283104 888988535 /nfs/dbraw/zinc/98/85/35/888988535.db2.gz BQERKXYGHXSUBX-CBAPKCEASA-N 1 2 294.315 -1.203 20 0 CAADLO CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)Cn2ncnn2)C1 ZINC001398301723 888988761 /nfs/dbraw/zinc/98/87/61/888988761.db2.gz MMKWEGSZVHBKGC-VIFPVBQESA-N 1 2 281.320 -2.000 20 0 CAADLO CCNC(=O)C[N@H+]1CC[C@H](NC(=O)Cn2ncnn2)C1 ZINC001398301723 888988764 /nfs/dbraw/zinc/98/87/64/888988764.db2.gz MMKWEGSZVHBKGC-VIFPVBQESA-N 1 2 281.320 -2.000 20 0 CAADLO C[C@H](NC(N)=O)C(=O)N[C@@H]1CCC[N@H+](CC(N)=O)C1 ZINC001398232556 888989037 /nfs/dbraw/zinc/98/90/37/888989037.db2.gz MNOLCNMAIUJYEV-JGVFFNPUSA-N 1 2 271.321 -1.891 20 0 CAADLO C[C@H](NC(N)=O)C(=O)N[C@@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001398232556 888989051 /nfs/dbraw/zinc/98/90/51/888989051.db2.gz MNOLCNMAIUJYEV-JGVFFNPUSA-N 1 2 271.321 -1.891 20 0 CAADLO C[C@H](C(N)=O)[NH+]1CCN(CCNC(=O)[C@H]2CCCO2)CC1 ZINC001398253680 888989676 /nfs/dbraw/zinc/98/96/76/888989676.db2.gz FCAPBSOJWGFSSA-VXGBXAGGSA-N 1 2 298.387 -1.227 20 0 CAADLO CC(=O)N(C)CC(=O)N[C@@H]1CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001398283934 888989873 /nfs/dbraw/zinc/98/98/73/888989873.db2.gz FWJDPTJRBISWJQ-SECBINFHSA-N 1 2 299.331 -2.150 20 0 CAADLO CC(=O)N(C)CC(=O)N[C@@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001398283934 888989882 /nfs/dbraw/zinc/98/98/82/888989882.db2.gz FWJDPTJRBISWJQ-SECBINFHSA-N 1 2 299.331 -2.150 20 0 CAADLO C[C@@H](CC(=O)N[C@@H]1CCC[N@H+](CC(N)=O)C1)NC(N)=O ZINC001398226781 888990035 /nfs/dbraw/zinc/99/00/35/888990035.db2.gz KMFQLFRJZCQCRQ-DTWKUNHWSA-N 1 2 285.348 -1.501 20 0 CAADLO C[C@@H](CC(=O)N[C@@H]1CCC[N@@H+](CC(N)=O)C1)NC(N)=O ZINC001398226781 888990042 /nfs/dbraw/zinc/99/00/42/888990042.db2.gz KMFQLFRJZCQCRQ-DTWKUNHWSA-N 1 2 285.348 -1.501 20 0 CAADLO NC(=O)NC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@]23C[C@H]2COC3)C1 ZINC001398297584 888991349 /nfs/dbraw/zinc/99/13/49/888991349.db2.gz DBECRCHAJMWXHG-RWEMILLDSA-N 1 2 296.327 -1.592 20 0 CAADLO NC(=O)NC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@]23C[C@H]2COC3)C1 ZINC001398297584 888991361 /nfs/dbraw/zinc/99/13/61/888991361.db2.gz DBECRCHAJMWXHG-RWEMILLDSA-N 1 2 296.327 -1.592 20 0 CAADLO O=C(NCC[NH+]1CCN(CCF)CC1)[C@@H]1CNC(=O)N1 ZINC001398271638 888991655 /nfs/dbraw/zinc/99/16/55/888991655.db2.gz GIPWTJLJTZZJPY-JTQLQIEISA-N 1 2 287.339 -1.629 20 0 CAADLO CO[C@@H](C(=O)N[C@H]1CC[N@H+](CC(N)=O)C1)c1cnn(C)c1 ZINC001398312533 888993210 /nfs/dbraw/zinc/99/32/10/888993210.db2.gz DOVGFRUPLBEDFO-CMPLNLGQSA-N 1 2 295.343 -1.217 20 0 CAADLO CO[C@@H](C(=O)N[C@H]1CC[N@@H+](CC(N)=O)C1)c1cnn(C)c1 ZINC001398312533 888993225 /nfs/dbraw/zinc/99/32/25/888993225.db2.gz DOVGFRUPLBEDFO-CMPLNLGQSA-N 1 2 295.343 -1.217 20 0 CAADLO CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC001398318992 888995995 /nfs/dbraw/zinc/99/59/95/888995995.db2.gz PLVWOLADEKYJSJ-UWVGGRQHSA-N 1 2 297.359 -1.663 20 0 CAADLO CCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC001398318992 888996010 /nfs/dbraw/zinc/99/60/10/888996010.db2.gz PLVWOLADEKYJSJ-UWVGGRQHSA-N 1 2 297.359 -1.663 20 0 CAADLO Cn1nnc(C[NH2+][C@H]2C[C@H](NC(=O)CCCC(N)=O)C2)n1 ZINC001398556077 889000673 /nfs/dbraw/zinc/00/06/73/889000673.db2.gz GOTKGZLOBKFZRK-KYZUINATSA-N 1 2 295.347 -1.398 20 0 CAADLO Cn1nnc(C[NH2+][C@H]2C[C@H](NC(=O)CCNC(N)=O)C2)n1 ZINC001398561240 889001860 /nfs/dbraw/zinc/00/18/60/889001860.db2.gz XQBAIFCGPLMGSN-ZKCHVHJHSA-N 1 2 296.335 -1.995 20 0 CAADLO C[C@H](NC(N)=O)C(=O)NC1CN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001398571787 889006176 /nfs/dbraw/zinc/00/61/76/889006176.db2.gz BJQGHAAXGOYUTE-ZETCQYMHSA-N 1 2 294.315 -1.664 20 0 CAADLO COC[C@H](OC)C(=O)N1CC(NC(=O)Cn2cc[nH+]c2)C1 ZINC001398625868 889008590 /nfs/dbraw/zinc/00/85/90/889008590.db2.gz ZPTZEDCWAABTRA-NSHDSACASA-N 1 2 296.327 -1.129 20 0 CAADLO CC(=O)N[C@@H](C)C(=O)N1CC(NC(=O)Cn2cc[nH+]c2)C1 ZINC001398625007 889008619 /nfs/dbraw/zinc/00/86/19/889008619.db2.gz WSYMGOWNNMJINR-VIFPVBQESA-N 1 2 293.327 -1.265 20 0 CAADLO CC(=O)NCC(=O)NC[C@H](C)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001398843649 889017471 /nfs/dbraw/zinc/01/74/71/889017471.db2.gz ANHBODNXDOGUNN-ZETCQYMHSA-N 1 2 284.320 -2.161 20 0 CAADLO CCc1noc(C[NH2+][C@@H](C)CNC(=O)Cn2ncnn2)n1 ZINC001398931039 889021321 /nfs/dbraw/zinc/02/13/21/889021321.db2.gz YHBFBADTQGGJOZ-QMMMGPOBSA-N 1 2 294.319 -1.087 20 0 CAADLO C[C@H](CNC(=O)c1cncnc1)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001398908182 889021738 /nfs/dbraw/zinc/02/17/38/889021738.db2.gz NCRYAJRZQJODMF-MRVPVSSYSA-N 1 2 291.315 -1.194 20 0 CAADLO Cc1noc(C[NH2+][C@H](C)CNC(=O)c2nnn(C)n2)n1 ZINC001399021853 889027224 /nfs/dbraw/zinc/02/72/24/889027224.db2.gz GBOJPFIZUMYKEU-ZCFIWIBFSA-N 1 2 280.292 -1.190 20 0 CAADLO Cc1noc(C[NH2+][C@H](C)CNC(=O)[C@H]2CN(C)C(=O)N2)n1 ZINC001399011834 889028475 /nfs/dbraw/zinc/02/84/75/889028475.db2.gz FZIHSSJNWFKUCR-VXNVDRBHSA-N 1 2 296.331 -1.004 20 0 CAADLO C[C@@H](CNC(=O)[C@H]1CNC(=O)N1)[NH2+]Cc1csnn1 ZINC001399049301 889028769 /nfs/dbraw/zinc/02/87/69/889028769.db2.gz ZJLQRBHMIXTHSV-POYBYMJQSA-N 1 2 284.345 -1.186 20 0 CAADLO Cn1[nH]c(C[N@H+](C)CCNC(=O)c2ccn[nH]2)nc1=O ZINC001399438477 889041210 /nfs/dbraw/zinc/04/12/10/889041210.db2.gz KGFORTWVCPWWEO-UHFFFAOYSA-N 1 2 279.304 -1.307 20 0 CAADLO Cn1[nH]c(C[N@@H+](C)CCNC(=O)c2ccn[nH]2)nc1=O ZINC001399438477 889041222 /nfs/dbraw/zinc/04/12/22/889041222.db2.gz KGFORTWVCPWWEO-UHFFFAOYSA-N 1 2 279.304 -1.307 20 0 CAADLO Cc1c(C(=O)NCC[N@@H+](C)CC(=O)N(C)C)nnn1C ZINC001399439672 889043322 /nfs/dbraw/zinc/04/33/22/889043322.db2.gz VKWSRKZICIKNEZ-UHFFFAOYSA-N 1 2 282.348 -1.127 20 0 CAADLO Cc1c(C(=O)NCC[N@H+](C)CC(=O)N(C)C)nnn1C ZINC001399439672 889043335 /nfs/dbraw/zinc/04/33/35/889043335.db2.gz VKWSRKZICIKNEZ-UHFFFAOYSA-N 1 2 282.348 -1.127 20 0 CAADLO CO[C@@H](C)C(=O)NCC[N@H+](C)Cc1nc(=O)n(C)[nH]1 ZINC001399440031 889043435 /nfs/dbraw/zinc/04/34/35/889043435.db2.gz QFVRMODLRCXGDH-QMMMGPOBSA-N 1 2 271.321 -1.309 20 0 CAADLO CO[C@@H](C)C(=O)NCC[N@@H+](C)Cc1nc(=O)n(C)[nH]1 ZINC001399440031 889043449 /nfs/dbraw/zinc/04/34/49/889043449.db2.gz QFVRMODLRCXGDH-QMMMGPOBSA-N 1 2 271.321 -1.309 20 0 CAADLO CCOCC(=O)NCC[N@H+](C)Cc1nc(=O)n(C)[nH]1 ZINC001399439464 889044645 /nfs/dbraw/zinc/04/46/45/889044645.db2.gz WFJIFJSAYLGBSM-UHFFFAOYSA-N 1 2 271.321 -1.307 20 0 CAADLO CCOCC(=O)NCC[N@@H+](C)Cc1nc(=O)n(C)[nH]1 ZINC001399439464 889044657 /nfs/dbraw/zinc/04/46/57/889044657.db2.gz WFJIFJSAYLGBSM-UHFFFAOYSA-N 1 2 271.321 -1.307 20 0 CAADLO CC(C)NC(=O)C[N@H+](C)CCNC(=O)Cn1cnnn1 ZINC001399447789 889045294 /nfs/dbraw/zinc/04/52/94/889045294.db2.gz OUVHHNWVPCHQGH-UHFFFAOYSA-N 1 2 283.336 -1.754 20 0 CAADLO CC(C)NC(=O)C[N@@H+](C)CCNC(=O)Cn1cnnn1 ZINC001399447789 889045309 /nfs/dbraw/zinc/04/53/09/889045309.db2.gz OUVHHNWVPCHQGH-UHFFFAOYSA-N 1 2 283.336 -1.754 20 0 CAADLO C[N@H+](CCNC(=O)[C@H]1CCCN(C(N)=O)C1)CC(N)=O ZINC001399520277 889046746 /nfs/dbraw/zinc/04/67/46/889046746.db2.gz GDLMSONMDWYRNT-VIFPVBQESA-N 1 2 285.348 -1.690 20 0 CAADLO C[N@@H+](CCNC(=O)[C@H]1CCCN(C(N)=O)C1)CC(N)=O ZINC001399520277 889046751 /nfs/dbraw/zinc/04/67/51/889046751.db2.gz GDLMSONMDWYRNT-VIFPVBQESA-N 1 2 285.348 -1.690 20 0 CAADLO COC[C@@H](O)C[N@H+](C)CCNC(=O)C1CS(=O)(=O)C1 ZINC001399494011 889047019 /nfs/dbraw/zinc/04/70/19/889047019.db2.gz SHYWATVFXZXEJO-JTQLQIEISA-N 1 2 294.373 -1.914 20 0 CAADLO COC[C@@H](O)C[N@@H+](C)CCNC(=O)C1CS(=O)(=O)C1 ZINC001399494011 889047035 /nfs/dbraw/zinc/04/70/35/889047035.db2.gz SHYWATVFXZXEJO-JTQLQIEISA-N 1 2 294.373 -1.914 20 0 CAADLO CCN1C[C@H](C(=O)NCC[N@H+](C)CC(N)=O)CC1=O ZINC001399486382 889047855 /nfs/dbraw/zinc/04/78/55/889047855.db2.gz KWUQWUHRFPVWLF-SECBINFHSA-N 1 2 270.333 -1.612 20 0 CAADLO CCN1C[C@H](C(=O)NCC[N@@H+](C)CC(N)=O)CC1=O ZINC001399486382 889047867 /nfs/dbraw/zinc/04/78/67/889047867.db2.gz KWUQWUHRFPVWLF-SECBINFHSA-N 1 2 270.333 -1.612 20 0 CAADLO C[N@H+](CCNC(=O)[C@@H]1CCCN(C(N)=O)C1)CC(N)=O ZINC001399520271 889047240 /nfs/dbraw/zinc/04/72/40/889047240.db2.gz GDLMSONMDWYRNT-SECBINFHSA-N 1 2 285.348 -1.690 20 0 CAADLO C[N@@H+](CCNC(=O)[C@@H]1CCCN(C(N)=O)C1)CC(N)=O ZINC001399520271 889047255 /nfs/dbraw/zinc/04/72/55/889047255.db2.gz GDLMSONMDWYRNT-SECBINFHSA-N 1 2 285.348 -1.690 20 0 CAADLO Cc1nc(CC(=O)NCC[N@@H+](C)[C@@H]2CCN(C)C2=O)n[nH]1 ZINC001399493579 889047965 /nfs/dbraw/zinc/04/79/65/889047965.db2.gz XRSDJYCKRCTMKG-SNVBAGLBSA-N 1 2 294.359 -1.066 20 0 CAADLO Cc1nc(CC(=O)NCC[N@H+](C)[C@@H]2CCN(C)C2=O)n[nH]1 ZINC001399493579 889047978 /nfs/dbraw/zinc/04/79/78/889047978.db2.gz XRSDJYCKRCTMKG-SNVBAGLBSA-N 1 2 294.359 -1.066 20 0 CAADLO C[N@H+](CCNC(=O)[C@H]1CCc2nccn2C1)CC(N)=O ZINC001399501570 889050390 /nfs/dbraw/zinc/05/03/90/889050390.db2.gz HJXQTVYGKWAOMI-JTQLQIEISA-N 1 2 279.344 -1.021 20 0 CAADLO C[N@@H+](CCNC(=O)[C@H]1CCc2nccn2C1)CC(N)=O ZINC001399501570 889050400 /nfs/dbraw/zinc/05/04/00/889050400.db2.gz HJXQTVYGKWAOMI-JTQLQIEISA-N 1 2 279.344 -1.021 20 0 CAADLO CC(C)NC(=O)C[N@H+](C)CCNC(=O)Cc1nc[nH]n1 ZINC001399628492 889051992 /nfs/dbraw/zinc/05/19/92/889051992.db2.gz HVBLWQLXTPCORA-UHFFFAOYSA-N 1 2 282.348 -1.080 20 0 CAADLO CC(C)NC(=O)C[N@@H+](C)CCNC(=O)Cc1nc[nH]n1 ZINC001399628492 889052008 /nfs/dbraw/zinc/05/20/08/889052008.db2.gz HVBLWQLXTPCORA-UHFFFAOYSA-N 1 2 282.348 -1.080 20 0 CAADLO CCN(C)C(=O)C[N@H+](C)CCNC(=O)Cc1nc[nH]n1 ZINC001399625597 889052987 /nfs/dbraw/zinc/05/29/87/889052987.db2.gz DDVIUJDVPUQLBP-UHFFFAOYSA-N 1 2 282.348 -1.127 20 0 CAADLO CCN(C)C(=O)C[N@@H+](C)CCNC(=O)Cc1nc[nH]n1 ZINC001399625597 889053001 /nfs/dbraw/zinc/05/30/01/889053001.db2.gz DDVIUJDVPUQLBP-UHFFFAOYSA-N 1 2 282.348 -1.127 20 0 CAADLO CCNC(=O)C[N@H+](C)CCNC(=O)c1cn(C)c(=O)[nH]1 ZINC001399571058 889053627 /nfs/dbraw/zinc/05/36/27/889053627.db2.gz PNLJKMWGVDBSMR-UHFFFAOYSA-N 1 2 283.332 -1.077 20 0 CAADLO CCNC(=O)C[N@@H+](C)CCNC(=O)c1cn(C)c(=O)[nH]1 ZINC001399571058 889053642 /nfs/dbraw/zinc/05/36/42/889053642.db2.gz PNLJKMWGVDBSMR-UHFFFAOYSA-N 1 2 283.332 -1.077 20 0 CAADLO C[N@H+](CCNC(=O)[C@H]1C[C@H]1C(N)=O)CC(=O)NCC1CC1 ZINC001399574532 889054519 /nfs/dbraw/zinc/05/45/19/889054519.db2.gz IHCLFUBDJHPKGC-MNOVXSKESA-N 1 2 296.371 -1.318 20 0 CAADLO C[N@@H+](CCNC(=O)[C@H]1C[C@H]1C(N)=O)CC(=O)NCC1CC1 ZINC001399574532 889054528 /nfs/dbraw/zinc/05/45/28/889054528.db2.gz IHCLFUBDJHPKGC-MNOVXSKESA-N 1 2 296.371 -1.318 20 0 CAADLO CN(C)C(=O)C[N@H+](C)CCNC(=O)c1c[nH]c(=O)n1C ZINC001399561434 889055366 /nfs/dbraw/zinc/05/53/66/889055366.db2.gz QWSVQVZGADDQBY-UHFFFAOYSA-N 1 2 283.332 -1.125 20 0 CAADLO CN(C)C(=O)C[N@@H+](C)CCNC(=O)c1c[nH]c(=O)n1C ZINC001399561434 889055383 /nfs/dbraw/zinc/05/53/83/889055383.db2.gz QWSVQVZGADDQBY-UHFFFAOYSA-N 1 2 283.332 -1.125 20 0 CAADLO Cn1[nH]c(C[N@H+](C)CCNC(=O)[C@H]2C[C@H]2C(N)=O)nc1=O ZINC001399573131 889055569 /nfs/dbraw/zinc/05/55/69/889055569.db2.gz DVFJVNAXUSBQOP-SFYZADRCSA-N 1 2 296.331 -2.222 20 0 CAADLO Cn1[nH]c(C[N@@H+](C)CCNC(=O)[C@H]2C[C@H]2C(N)=O)nc1=O ZINC001399573131 889055581 /nfs/dbraw/zinc/05/55/81/889055581.db2.gz DVFJVNAXUSBQOP-SFYZADRCSA-N 1 2 296.331 -2.222 20 0 CAADLO CN(CCNC(=O)Cc1c[nH+]cn1C)Cc1nnn(C)n1 ZINC001399635282 889056206 /nfs/dbraw/zinc/05/62/06/889056206.db2.gz ANFQCSXXJNNLNV-UHFFFAOYSA-N 1 2 292.347 -1.266 20 0 CAADLO CCO[C@@H](C)C(=O)NC[C@@H](O)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001399793887 889068808 /nfs/dbraw/zinc/06/88/08/889068808.db2.gz PAMOFEIUWARQFK-UWVGGRQHSA-N 1 2 298.343 -1.030 20 0 CAADLO NC(=O)NC(=O)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCO2)C1 ZINC001400267285 889095146 /nfs/dbraw/zinc/09/51/46/889095146.db2.gz MTPRSKGKEABRBZ-ZJUUUORDSA-N 1 2 298.343 -1.059 20 0 CAADLO NC(=O)NC(=O)C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCO2)C1 ZINC001400267285 889095158 /nfs/dbraw/zinc/09/51/58/889095158.db2.gz MTPRSKGKEABRBZ-ZJUUUORDSA-N 1 2 298.343 -1.059 20 0 CAADLO C[C@@H](CNC(=O)[C@@H]1COCCO1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001400282965 889096699 /nfs/dbraw/zinc/09/66/99/889096699.db2.gz BITMYWVCWHLUPD-UWVGGRQHSA-N 1 2 296.327 -1.012 20 0 CAADLO C[C@@H](CNC(=O)[C@@H]1CNC(=O)N1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001400310900 889098322 /nfs/dbraw/zinc/09/83/22/889098322.db2.gz YVUHSROHSLDGGF-CBAPKCEASA-N 1 2 294.315 -1.746 20 0 CAADLO CC(=O)NCC(=O)NC1C[NH+](C[C@H](O)Cn2cccn2)C1 ZINC001400323555 889098704 /nfs/dbraw/zinc/09/87/04/889098704.db2.gz XOVVCVBKCYNJAW-LBPRGKRZSA-N 1 2 295.343 -1.820 20 0 CAADLO COC[C@H](O)C[NH+]1CC(NC(=O)c2cnn(C)c2N)C1 ZINC001400324540 889098759 /nfs/dbraw/zinc/09/87/59/889098759.db2.gz ALBRNMCYFVCLEY-SECBINFHSA-N 1 2 283.332 -1.576 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(NC(=O)Cn2cc(C)cn2)C1 ZINC001400324511 889099592 /nfs/dbraw/zinc/09/95/92/889099592.db2.gz NWXANKBPUKHSDZ-LBPRGKRZSA-N 1 2 282.344 -1.001 20 0 CAADLO C[C@H](NC(N)=O)C(=O)NC1C[NH+](CCc2cnn(C)c2)C1 ZINC001400329118 889099765 /nfs/dbraw/zinc/09/97/65/889099765.db2.gz KWGAAJVLKGETKZ-VIFPVBQESA-N 1 2 294.359 -1.180 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(NC(=O)CNC(=O)C2CC2)C1 ZINC001400323126 889100208 /nfs/dbraw/zinc/10/02/08/889100208.db2.gz LAHJYTXEWYKTLQ-NSHDSACASA-N 1 2 285.344 -1.680 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(NC(=O)[C@H]2CC(=O)N(C)C2)C1 ZINC001400348071 889101412 /nfs/dbraw/zinc/10/14/12/889101412.db2.gz GCNWIYGRLCPKEU-ONGXEEELSA-N 1 2 285.344 -1.728 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(NC(=O)[C@@H]2CCNC(=O)C2)C1 ZINC001400338725 889101824 /nfs/dbraw/zinc/10/18/24/889101824.db2.gz XXWGBWIQJREYGL-KOLCDFICSA-N 1 2 285.344 -1.680 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(NC(=O)[C@]2(C)CCC(=O)N2)C1 ZINC001400389644 889104286 /nfs/dbraw/zinc/10/42/86/889104286.db2.gz MBXWTJAQDISZKE-GWCFXTLKSA-N 1 2 285.344 -1.537 20 0 CAADLO COCC[NH+]1CC(NC(=O)CNS(=O)(=O)N(C)C)C1 ZINC001400397588 889104745 /nfs/dbraw/zinc/10/47/45/889104745.db2.gz RWJMJHYHLUCSTQ-UHFFFAOYSA-N 1 2 294.377 -2.171 20 0 CAADLO O=C(CO[C@H]1CCOC1)NCC1C[NH+]([C@H]2CCNC2=O)C1 ZINC001400470857 889106905 /nfs/dbraw/zinc/10/69/05/889106905.db2.gz LSSARQNKJIIGFH-RYUDHWBXSA-N 1 2 297.355 -1.272 20 0 CAADLO O=C(CO[C@@H]1CCOC1)NCC1C[NH+]([C@@H]2CCNC2=O)C1 ZINC001400470860 889106925 /nfs/dbraw/zinc/10/69/25/889106925.db2.gz LSSARQNKJIIGFH-VXGBXAGGSA-N 1 2 297.355 -1.272 20 0 CAADLO C[C@@H](C(=O)NC(N)=O)[NH+]1CC(CNC(=O)c2cn[nH]c2)C1 ZINC001400463247 889107057 /nfs/dbraw/zinc/10/70/57/889107057.db2.gz JTGYMUPNWDGOSJ-ZETCQYMHSA-N 1 2 294.315 -1.345 20 0 CAADLO Cn1cccc1C(=O)NCC1C[NH+](CC(=O)NC(N)=O)C1 ZINC001400482109 889107154 /nfs/dbraw/zinc/10/71/54/889107154.db2.gz KNBOCZXLXCICCH-UHFFFAOYSA-N 1 2 293.327 -1.118 20 0 CAADLO NC(=O)NCC(=O)N1CC[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001400440225 889107438 /nfs/dbraw/zinc/10/74/38/889107438.db2.gz FRWODGDWKSVGPK-VIFPVBQESA-N 1 2 294.315 -1.732 20 0 CAADLO NC(=O)NC(=O)C[NH+]1CC(CNC(=O)COCC2CC2)C1 ZINC001400458194 889107667 /nfs/dbraw/zinc/10/76/67/889107667.db2.gz DIBPVWZOPYYNHU-UHFFFAOYSA-N 1 2 298.343 -1.344 20 0 CAADLO Cn1cncc1C[NH+]1CC(CNC(=O)Cn2ncnn2)C1 ZINC001400481486 889107812 /nfs/dbraw/zinc/10/78/12/889107812.db2.gz CYXKEPXSELCGOB-UHFFFAOYSA-N 1 2 290.331 -1.345 20 0 CAADLO O=C(CN1CCCC1=O)NCC1C[NH+]([C@@H]2CCNC2=O)C1 ZINC001400484269 889107854 /nfs/dbraw/zinc/10/78/54/889107854.db2.gz PPXFECCJTZBRPW-LLVKDONJSA-N 1 2 294.355 -1.455 20 0 CAADLO CCOCC(=O)NCC1C[NH+](CCNS(C)(=O)=O)C1 ZINC001400488131 889107887 /nfs/dbraw/zinc/10/78/87/889107887.db2.gz WTHJMUWKIYFFCY-UHFFFAOYSA-N 1 2 293.389 -1.380 20 0 CAADLO O=C(CO[C@H]1CCOC1)NCC1C[NH+]([C@@H]2CCNC2=O)C1 ZINC001400470855 889108196 /nfs/dbraw/zinc/10/81/96/889108196.db2.gz LSSARQNKJIIGFH-NWDGAFQWSA-N 1 2 297.355 -1.272 20 0 CAADLO O=C(C[C@@H]1COC(=O)C1)NCC1C[NH+]([C@H]2CCNC2=O)C1 ZINC001400466647 889108512 /nfs/dbraw/zinc/10/85/12/889108512.db2.gz LYPMHBPCADQDNP-ONGXEEELSA-N 1 2 295.339 -1.124 20 0 CAADLO CCC(=O)N[C@H](C)C(=O)NCC1C[NH+]([C@@H]2CCNC2=O)C1 ZINC001400478241 889108665 /nfs/dbraw/zinc/10/86/65/889108665.db2.gz UJSPWGZOKDRWPY-MWLCHTKSSA-N 1 2 296.371 -1.162 20 0 CAADLO CCN(C)C(=O)C[NH+]1CC(CNC(=O)c2cn(C)nn2)C1 ZINC001400481808 889108773 /nfs/dbraw/zinc/10/87/73/889108773.db2.gz QZVIUAGPLRZODK-UHFFFAOYSA-N 1 2 294.359 -1.045 20 0 CAADLO O=C(CCn1ccnn1)NCC1C[NH+]([C@H]2CCNC2=O)C1 ZINC001400469711 889108961 /nfs/dbraw/zinc/10/89/61/889108961.db2.gz DEQWBHIKRVZQJR-NSHDSACASA-N 1 2 292.343 -1.395 20 0 CAADLO COC[C@H](OC)C(=O)NCC1C[NH+]([C@@H](C)C(N)=O)C1 ZINC001400533544 889110138 /nfs/dbraw/zinc/11/01/38/889110138.db2.gz PTTQSQLWFZADSX-WPRPVWTQSA-N 1 2 273.333 -1.430 20 0 CAADLO COC[C@H](OC)C(=O)NCC1C[NH+]([C@@H]2CCNC2=O)C1 ZINC001400525403 889110318 /nfs/dbraw/zinc/11/03/18/889110318.db2.gz GTKSOSOMYRQZSK-MNOVXSKESA-N 1 2 285.344 -1.416 20 0 CAADLO C[C@]1(CCC(=O)NCC2C[NH+](CC(N)=O)C2)CCC(=O)N1 ZINC001400568624 889110566 /nfs/dbraw/zinc/11/05/66/889110566.db2.gz FQTOWKDCWWBCKK-AWEZNQCLSA-N 1 2 296.371 -1.031 20 0 CAADLO C[C@H](C(N)=O)[NH+]1CC(CNC(=O)C[C@H]2CCCC(=O)N2)C1 ZINC001400518029 889110592 /nfs/dbraw/zinc/11/05/92/889110592.db2.gz ZJDOQXDTDMGPGS-MWLCHTKSSA-N 1 2 296.371 -1.033 20 0 CAADLO NC(=O)NC(=O)C[NH+]1CC(CNC(=O)CCCF)C1 ZINC001400508657 889111125 /nfs/dbraw/zinc/11/11/25/889111125.db2.gz ATGDTLRZUGJNTB-UHFFFAOYSA-N 1 2 274.296 -1.021 20 0 CAADLO COC[C@@H](OC)C(=O)NCC1C[NH+]([C@@H]2CCNC2=O)C1 ZINC001400525400 889111207 /nfs/dbraw/zinc/11/12/07/889111207.db2.gz GTKSOSOMYRQZSK-GHMZBOCLSA-N 1 2 285.344 -1.416 20 0 CAADLO CC(=O)NCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@H]1CCNC1=O ZINC001400570752 889111230 /nfs/dbraw/zinc/11/12/30/889111230.db2.gz HQCQTIFCLJBXOO-DCAQKATOSA-N 1 2 280.328 -1.704 20 0 CAADLO CC(=O)NCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2[C@H]1CCNC1=O ZINC001400570752 889111238 /nfs/dbraw/zinc/11/12/38/889111238.db2.gz HQCQTIFCLJBXOO-DCAQKATOSA-N 1 2 280.328 -1.704 20 0 CAADLO CNC(=O)C[NH+]1CC(CNC(=O)[C@H](C)CC(N)=O)C1 ZINC001400508963 889111498 /nfs/dbraw/zinc/11/14/98/889111498.db2.gz CVMLPWFBCCWCHW-MRVPVSSYSA-N 1 2 270.333 -1.708 20 0 CAADLO CS(=O)(=O)NCC[NH+]1CC(CNC(=O)C(F)F)C1 ZINC001400551466 889111695 /nfs/dbraw/zinc/11/16/95/889111695.db2.gz HFGTXIVCYIXMRZ-UHFFFAOYSA-N 1 2 285.316 -1.151 20 0 CAADLO O=C(Cc1c[nH]cn1)NCC1C[NH+]([C@H]2CCNC2=O)C1 ZINC001400516936 889111881 /nfs/dbraw/zinc/11/18/81/889111881.db2.gz HGERIFXLWQZGMI-NSHDSACASA-N 1 2 277.328 -1.111 20 0 CAADLO COC[C@H](OC)C(=O)NCC1C[NH+]([C@H]2CCNC2=O)C1 ZINC001400525407 889112030 /nfs/dbraw/zinc/11/20/30/889112030.db2.gz GTKSOSOMYRQZSK-QWRGUYRKSA-N 1 2 285.344 -1.416 20 0 CAADLO CC(=O)NCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@@H]1CCNC1=O ZINC001400570805 889112063 /nfs/dbraw/zinc/11/20/63/889112063.db2.gz HQCQTIFCLJBXOO-GARJFASQSA-N 1 2 280.328 -1.704 20 0 CAADLO CC(=O)NCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2[C@@H]1CCNC1=O ZINC001400570805 889112068 /nfs/dbraw/zinc/11/20/68/889112068.db2.gz HQCQTIFCLJBXOO-GARJFASQSA-N 1 2 280.328 -1.704 20 0 CAADLO COC[C@H](OC)C(=O)NCC1C[NH+]([C@H](C)C(N)=O)C1 ZINC001400533523 889112220 /nfs/dbraw/zinc/11/22/20/889112220.db2.gz PTTQSQLWFZADSX-SCZZXKLOSA-N 1 2 273.333 -1.430 20 0 CAADLO NC(=O)NC(=O)C[NH+]1CC(CNC(=O)C2CCOCC2)C1 ZINC001400557463 889112533 /nfs/dbraw/zinc/11/25/33/889112533.db2.gz LNYXAYSRIVAJGA-UHFFFAOYSA-N 1 2 298.343 -1.344 20 0 CAADLO CCN(C)C(=O)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CNC(C)=O ZINC001400582571 889113670 /nfs/dbraw/zinc/11/36/70/889113670.db2.gz ZQVYCQMPZYSEGR-RYUDHWBXSA-N 1 2 296.371 -1.114 20 0 CAADLO CCN(C)C(=O)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CNC(C)=O ZINC001400582571 889113675 /nfs/dbraw/zinc/11/36/75/889113675.db2.gz ZQVYCQMPZYSEGR-RYUDHWBXSA-N 1 2 296.371 -1.114 20 0 CAADLO CNC(=O)NCCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@H](C)C(N)=O ZINC001400584016 889113983 /nfs/dbraw/zinc/11/39/83/889113983.db2.gz XEMSAQXEIHKNAB-UTLUCORTSA-N 1 2 297.359 -1.536 20 0 CAADLO CNC(=O)NCCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2[C@H](C)C(N)=O ZINC001400584016 889113987 /nfs/dbraw/zinc/11/39/87/889113987.db2.gz XEMSAQXEIHKNAB-UTLUCORTSA-N 1 2 297.359 -1.536 20 0 CAADLO C[C@@]1(C(=O)N[C@H]2CC[N@H+](CC(=O)NC(N)=O)C2)CCOC1 ZINC001400630789 889114898 /nfs/dbraw/zinc/11/48/98/889114898.db2.gz NGRGOCPMQYYDNY-TVQRCGJNSA-N 1 2 298.343 -1.202 20 0 CAADLO C[C@@]1(C(=O)N[C@H]2CC[N@@H+](CC(=O)NC(N)=O)C2)CCOC1 ZINC001400630789 889114905 /nfs/dbraw/zinc/11/49/05/889114905.db2.gz NGRGOCPMQYYDNY-TVQRCGJNSA-N 1 2 298.343 -1.202 20 0 CAADLO COCC(=O)N[C@@H]1CC[N@H+](CC(=O)N2CCOCC2)C1 ZINC001400637955 889116511 /nfs/dbraw/zinc/11/65/11/889116511.db2.gz CUBDGZCABAKUJD-LLVKDONJSA-N 1 2 285.344 -1.318 20 0 CAADLO COCC(=O)N[C@@H]1CC[N@@H+](CC(=O)N2CCOCC2)C1 ZINC001400637955 889116520 /nfs/dbraw/zinc/11/65/20/889116520.db2.gz CUBDGZCABAKUJD-LLVKDONJSA-N 1 2 285.344 -1.318 20 0 CAADLO CN(C(=O)c1cn[nH]c1)[C@H]1CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001400702635 889119284 /nfs/dbraw/zinc/11/92/84/889119284.db2.gz NRMCUFMKPQTNRK-VIFPVBQESA-N 1 2 294.315 -1.249 20 0 CAADLO CN(C(=O)c1cn[nH]c1)[C@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001400702635 889119291 /nfs/dbraw/zinc/11/92/91/889119291.db2.gz NRMCUFMKPQTNRK-VIFPVBQESA-N 1 2 294.315 -1.249 20 0 CAADLO COC[C@@H](O)C[N@@H+]1CCO[C@@H](CNC(=O)c2ccn[nH]2)C1 ZINC001401161840 889127225 /nfs/dbraw/zinc/12/72/25/889127225.db2.gz IBFYYVMDYICUIJ-QWRGUYRKSA-N 1 2 298.343 -1.152 20 0 CAADLO COC[C@@H](O)C[N@H+]1CCO[C@@H](CNC(=O)c2ccn[nH]2)C1 ZINC001401161840 889127234 /nfs/dbraw/zinc/12/72/34/889127234.db2.gz IBFYYVMDYICUIJ-QWRGUYRKSA-N 1 2 298.343 -1.152 20 0 CAADLO COC[C@@H](O)C[N@@H+]1CCO[C@H](CNC(=O)c2ccn[nH]2)C1 ZINC001401161841 889129312 /nfs/dbraw/zinc/12/93/12/889129312.db2.gz IBFYYVMDYICUIJ-WDEREUQCSA-N 1 2 298.343 -1.152 20 0 CAADLO COC[C@@H](O)C[N@H+]1CCO[C@H](CNC(=O)c2ccn[nH]2)C1 ZINC001401161841 889129325 /nfs/dbraw/zinc/12/93/25/889129325.db2.gz IBFYYVMDYICUIJ-WDEREUQCSA-N 1 2 298.343 -1.152 20 0 CAADLO CC(C)c1nnnn1CC(=O)N(C)CC[N@H+](C)CC(N)=O ZINC001401399072 889134176 /nfs/dbraw/zinc/13/41/76/889134176.db2.gz HXOBOBDEPORKGY-UHFFFAOYSA-N 1 2 297.363 -1.328 20 0 CAADLO CC(C)c1nnnn1CC(=O)N(C)CC[N@@H+](C)CC(N)=O ZINC001401399072 889134180 /nfs/dbraw/zinc/13/41/80/889134180.db2.gz HXOBOBDEPORKGY-UHFFFAOYSA-N 1 2 297.363 -1.328 20 0 CAADLO CCN1C[C@H](C(=O)N(C)CC[N@H+](C)CC(N)=O)CC1=O ZINC001401373194 889134616 /nfs/dbraw/zinc/13/46/16/889134616.db2.gz VRBKZFSIMXUURK-SNVBAGLBSA-N 1 2 284.360 -1.270 20 0 CAADLO CCN1C[C@H](C(=O)N(C)CC[N@@H+](C)CC(N)=O)CC1=O ZINC001401373194 889134627 /nfs/dbraw/zinc/13/46/27/889134627.db2.gz VRBKZFSIMXUURK-SNVBAGLBSA-N 1 2 284.360 -1.270 20 0 CAADLO CNC(=O)C[N@H+](C)CCN(C)C(=O)[C@H](COC)OC ZINC001401383022 889134758 /nfs/dbraw/zinc/13/47/58/889134758.db2.gz LPYJMUXIESYVCY-JTQLQIEISA-N 1 2 275.349 -1.216 20 0 CAADLO CNC(=O)C[N@@H+](C)CCN(C)C(=O)[C@H](COC)OC ZINC001401383022 889134768 /nfs/dbraw/zinc/13/47/68/889134768.db2.gz LPYJMUXIESYVCY-JTQLQIEISA-N 1 2 275.349 -1.216 20 0 CAADLO CN(CC[N@H+](C)CC(N)=O)C(=O)c1cc2n(n1)CCO2 ZINC001401367379 889135165 /nfs/dbraw/zinc/13/51/65/889135165.db2.gz ILAZVZHMNBOADV-UHFFFAOYSA-N 1 2 281.316 -1.235 20 0 CAADLO CN(CC[N@@H+](C)CC(N)=O)C(=O)c1cc2n(n1)CCO2 ZINC001401367379 889135174 /nfs/dbraw/zinc/13/51/74/889135174.db2.gz ILAZVZHMNBOADV-UHFFFAOYSA-N 1 2 281.316 -1.235 20 0 CAADLO CC(C)C(=O)N(C)CC[N@H+](C)CC(=O)N1CCNC(=O)C1 ZINC001401353012 889136410 /nfs/dbraw/zinc/13/64/10/889136410.db2.gz IOZOUPURSJFWJX-UHFFFAOYSA-N 1 2 298.387 -1.009 20 0 CAADLO CC(C)C(=O)N(C)CC[N@@H+](C)CC(=O)N1CCNC(=O)C1 ZINC001401353012 889136415 /nfs/dbraw/zinc/13/64/15/889136415.db2.gz IOZOUPURSJFWJX-UHFFFAOYSA-N 1 2 298.387 -1.009 20 0 CAADLO CNC(=O)C[N@H+](C)CCN(C)C(=O)c1cn[nH]c(=O)c1 ZINC001401369133 889136469 /nfs/dbraw/zinc/13/64/69/889136469.db2.gz JYXWRCDRRCNTSM-UHFFFAOYSA-N 1 2 281.316 -1.068 20 0 CAADLO CNC(=O)C[N@@H+](C)CCN(C)C(=O)c1cn[nH]c(=O)c1 ZINC001401369133 889136477 /nfs/dbraw/zinc/13/64/77/889136477.db2.gz JYXWRCDRRCNTSM-UHFFFAOYSA-N 1 2 281.316 -1.068 20 0 CAADLO CCc1nnc(C[NH2+]C[C@H](O)CNC(=O)CNC(C)=O)o1 ZINC001401487154 889138781 /nfs/dbraw/zinc/13/87/81/889138781.db2.gz PONDKVXBOCBBMD-VIFPVBQESA-N 1 2 299.331 -1.665 20 0 CAADLO CNC(=O)C[NH2+]C[C@H](O)CNC(=O)c1[nH]nc(C)c1C ZINC001401514515 889149377 /nfs/dbraw/zinc/14/93/77/889149377.db2.gz UKHIFIFFKIDTCO-VIFPVBQESA-N 1 2 283.332 -1.547 20 0 CAADLO Cc1nc(C[NH2+]C[C@@H](O)CNC(=O)c2cn[nH]n2)co1 ZINC001401559114 889156133 /nfs/dbraw/zinc/15/61/33/889156133.db2.gz LNFKOUOTICLSOZ-SECBINFHSA-N 1 2 280.288 -1.018 20 0 CAADLO Cc1nc(C[NH2+]C[C@@H](O)CNC(=O)c2cnn[nH]2)co1 ZINC001401559114 889156143 /nfs/dbraw/zinc/15/61/43/889156143.db2.gz LNFKOUOTICLSOZ-SECBINFHSA-N 1 2 280.288 -1.018 20 0 CAADLO CCn1ncc(C[NH2+]C[C@@H](O)CNC(=O)c2cn[nH]n2)n1 ZINC001401567624 889160960 /nfs/dbraw/zinc/16/09/60/889160960.db2.gz RIAPXLMQUUYFQQ-SECBINFHSA-N 1 2 294.319 -1.703 20 0 CAADLO CCn1ncc(C[NH2+]C[C@@H](O)CNC(=O)c2cnn[nH]2)n1 ZINC001401567624 889160963 /nfs/dbraw/zinc/16/09/63/889160963.db2.gz RIAPXLMQUUYFQQ-SECBINFHSA-N 1 2 294.319 -1.703 20 0 CAADLO Cc1ccnc(C[NH2+]C[C@@H](O)CNC(=O)c2cn[nH]n2)n1 ZINC001401567723 889161038 /nfs/dbraw/zinc/16/10/38/889161038.db2.gz RNLVNFYKRXXYIB-SECBINFHSA-N 1 2 291.315 -1.216 20 0 CAADLO CC[NH2+]C[C@@H](O)CNC(=O)Cn1[nH]cc2c(=O)ncnc1-2 ZINC001401569369 889161081 /nfs/dbraw/zinc/16/10/81/889161081.db2.gz CMAVPMSDSDIWCF-MRVPVSSYSA-N 1 2 294.315 -1.842 20 0 CAADLO CC[NH2+]C[C@H](O)CNC(=O)Cn1[nH]cc2c(=O)ncnc1-2 ZINC001401569485 889161415 /nfs/dbraw/zinc/16/14/15/889161415.db2.gz CMAVPMSDSDIWCF-QMMMGPOBSA-N 1 2 294.315 -1.842 20 0 CAADLO C[C@@H](C[NH2+]Cc1nnnn1C)NC(=O)CCc1nnc[nH]1 ZINC001401680015 889173384 /nfs/dbraw/zinc/17/33/84/889173384.db2.gz KARAMPNQKVGPFJ-QMMMGPOBSA-N 1 2 293.335 -1.445 20 0 CAADLO CCc1noc(C[NH2+]C[C@@H](C)NC(=O)[C@@H]2CNC(=O)N2)n1 ZINC001401650163 889173436 /nfs/dbraw/zinc/17/34/36/889173436.db2.gz UTDXBMCOCJFBJZ-SFYZADRCSA-N 1 2 296.331 -1.092 20 0 CAADLO C[C@@H](C[NH2+]Cc1nc(=O)n(C)[nH]1)NC(=O)c1ccn[nH]1 ZINC001401669925 889174990 /nfs/dbraw/zinc/17/49/90/889174990.db2.gz IJPXVJFPYNYDBA-ZETCQYMHSA-N 1 2 279.304 -1.260 20 0 CAADLO CCc1noc(C[NH2+]C[C@@H](C)NC(=O)[C@H]2CNC(=O)N2)n1 ZINC001401650156 889176447 /nfs/dbraw/zinc/17/64/47/889176447.db2.gz UTDXBMCOCJFBJZ-HTQZYQBOSA-N 1 2 296.331 -1.092 20 0 CAADLO CNS(=O)(=O)NCC(=O)NC[C@H]1CC[N@@H+]1CCF ZINC001401897491 889188896 /nfs/dbraw/zinc/18/88/96/889188896.db2.gz GBQBQBPFJKBOGR-MRVPVSSYSA-N 1 2 282.341 -1.800 20 0 CAADLO CNS(=O)(=O)NCC(=O)NC[C@H]1CC[N@H+]1CCF ZINC001401897491 889188911 /nfs/dbraw/zinc/18/89/11/889188911.db2.gz GBQBQBPFJKBOGR-MRVPVSSYSA-N 1 2 282.341 -1.800 20 0 CAADLO CCC(=O)NCC(=O)NC[C@@H]1CC[N@@H+]1CC(=O)N1CCC1 ZINC001401872781 889189101 /nfs/dbraw/zinc/18/91/01/889189101.db2.gz IQPWKZVPZZBLRV-NSHDSACASA-N 1 2 296.371 -1.065 20 0 CAADLO CCC(=O)NCC(=O)NC[C@@H]1CC[N@H+]1CC(=O)N1CCC1 ZINC001401872781 889189107 /nfs/dbraw/zinc/18/91/07/889189107.db2.gz IQPWKZVPZZBLRV-NSHDSACASA-N 1 2 296.371 -1.065 20 0 CAADLO CC[C@@H](C(N)=O)[N@@H+]1CC[C@H]1CNC(=O)Cn1ncnn1 ZINC001401885640 889189337 /nfs/dbraw/zinc/18/93/37/889189337.db2.gz FVZYPQCNWGFKCY-IUCAKERBSA-N 1 2 281.320 -1.873 20 0 CAADLO CC[C@@H](C(N)=O)[N@H+]1CC[C@H]1CNC(=O)Cn1ncnn1 ZINC001401885640 889189344 /nfs/dbraw/zinc/18/93/44/889189344.db2.gz FVZYPQCNWGFKCY-IUCAKERBSA-N 1 2 281.320 -1.873 20 0 CAADLO CCN(C)C(=O)C[N@@H+]1CC[C@@H]1CNC(=O)CNC(C)=O ZINC001401877854 889189697 /nfs/dbraw/zinc/18/96/97/889189697.db2.gz PIEMSCNVQBDKSP-LLVKDONJSA-N 1 2 284.360 -1.209 20 0 CAADLO CCN(C)C(=O)C[N@H+]1CC[C@@H]1CNC(=O)CNC(C)=O ZINC001401877854 889189710 /nfs/dbraw/zinc/18/97/10/889189710.db2.gz PIEMSCNVQBDKSP-LLVKDONJSA-N 1 2 284.360 -1.209 20 0 CAADLO CCN1CC[C@H]([N@@H+]2CC[C@H]2CNC(=O)CNC(C)=O)C1=O ZINC001401871912 889189762 /nfs/dbraw/zinc/18/97/62/889189762.db2.gz RDQNZDQKKCMUOO-RYUDHWBXSA-N 1 2 296.371 -1.066 20 0 CAADLO CCN1CC[C@H]([N@H+]2CC[C@H]2CNC(=O)CNC(C)=O)C1=O ZINC001401871912 889189769 /nfs/dbraw/zinc/18/97/69/889189769.db2.gz RDQNZDQKKCMUOO-RYUDHWBXSA-N 1 2 296.371 -1.066 20 0 CAADLO CNS(=O)(=O)NCC(=O)NC[C@@H]1CC[N@@H+]1CCF ZINC001401897498 889190166 /nfs/dbraw/zinc/19/01/66/889190166.db2.gz GBQBQBPFJKBOGR-QMMMGPOBSA-N 1 2 282.341 -1.800 20 0 CAADLO CNS(=O)(=O)NCC(=O)NC[C@@H]1CC[N@H+]1CCF ZINC001401897498 889190169 /nfs/dbraw/zinc/19/01/69/889190169.db2.gz GBQBQBPFJKBOGR-QMMMGPOBSA-N 1 2 282.341 -1.800 20 0 CAADLO COC[C@H](O)C[N@@H+]1CC[C@H]1CNC(=O)Cc1n[nH]c(C)n1 ZINC001401898317 889190424 /nfs/dbraw/zinc/19/04/24/889190424.db2.gz UEWBFJFBOIKMOH-WDEREUQCSA-N 1 2 297.359 -1.147 20 0 CAADLO COC[C@H](O)C[N@H+]1CC[C@H]1CNC(=O)Cc1n[nH]c(C)n1 ZINC001401898317 889190432 /nfs/dbraw/zinc/19/04/32/889190432.db2.gz UEWBFJFBOIKMOH-WDEREUQCSA-N 1 2 297.359 -1.147 20 0 CAADLO COC[C@H](O)C[N@@H+]1CC[C@@H]1CNC(=O)Cc1n[nH]c(C)n1 ZINC001401898316 889190485 /nfs/dbraw/zinc/19/04/85/889190485.db2.gz UEWBFJFBOIKMOH-GHMZBOCLSA-N 1 2 297.359 -1.147 20 0 CAADLO COC[C@H](O)C[N@H+]1CC[C@@H]1CNC(=O)Cc1n[nH]c(C)n1 ZINC001401898316 889190490 /nfs/dbraw/zinc/19/04/90/889190490.db2.gz UEWBFJFBOIKMOH-GHMZBOCLSA-N 1 2 297.359 -1.147 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+]1CC[C@H]1CNC(=O)CNC(=O)C1CC1 ZINC001401868996 889191060 /nfs/dbraw/zinc/19/10/60/889191060.db2.gz MQSLMXDOWVYDCT-ONGXEEELSA-N 1 2 296.371 -1.162 20 0 CAADLO CNC(=O)[C@H](C)[N@H+]1CC[C@H]1CNC(=O)CNC(=O)C1CC1 ZINC001401868996 889191068 /nfs/dbraw/zinc/19/10/68/889191068.db2.gz MQSLMXDOWVYDCT-ONGXEEELSA-N 1 2 296.371 -1.162 20 0 CAADLO CC(=O)NCC(=O)NC[C@H]1CC[N@@H+]1CC(=O)N1CCCC1 ZINC001401864371 889191371 /nfs/dbraw/zinc/19/13/71/889191371.db2.gz DIIJPEWTFXJPED-GFCCVEGCSA-N 1 2 296.371 -1.065 20 0 CAADLO CC(=O)NCC(=O)NC[C@H]1CC[N@H+]1CC(=O)N1CCCC1 ZINC001401864371 889191383 /nfs/dbraw/zinc/19/13/83/889191383.db2.gz DIIJPEWTFXJPED-GFCCVEGCSA-N 1 2 296.371 -1.065 20 0 CAADLO Cn1nnnc1C[NH2+]C1(CNC(=O)Cc2cc[nH]n2)CC1 ZINC001401939331 889192986 /nfs/dbraw/zinc/19/29/86/889192986.db2.gz QUWOMNAIUHKOAQ-UHFFFAOYSA-N 1 2 290.331 -1.086 20 0 CAADLO CCC[C@@H](C(=O)NC[C@H]1CC[N@@H+]1CCO)S(N)(=O)=O ZINC001401901009 889193819 /nfs/dbraw/zinc/19/38/19/889193819.db2.gz SEEYASRBEVDQIC-ZJUUUORDSA-N 1 2 293.389 -1.374 20 0 CAADLO CCC[C@@H](C(=O)NC[C@H]1CC[N@H+]1CCO)S(N)(=O)=O ZINC001401901009 889193826 /nfs/dbraw/zinc/19/38/26/889193826.db2.gz SEEYASRBEVDQIC-ZJUUUORDSA-N 1 2 293.389 -1.374 20 0 CAADLO CN(C)C(=O)C[N@@H+]1CC[C@@H]1CNC(=O)CCn1cnnn1 ZINC001401932920 889193963 /nfs/dbraw/zinc/19/39/63/889193963.db2.gz ZJXREZMEQRTULJ-SNVBAGLBSA-N 1 2 295.347 -1.658 20 0 CAADLO CN(C)C(=O)C[N@H+]1CC[C@@H]1CNC(=O)CCn1cnnn1 ZINC001401932920 889193975 /nfs/dbraw/zinc/19/39/75/889193975.db2.gz ZJXREZMEQRTULJ-SNVBAGLBSA-N 1 2 295.347 -1.658 20 0 CAADLO O=C(Cc1nnc[nH]1)NC[C@H]1CC[N@@H+]1CCn1cncn1 ZINC001401928132 889194390 /nfs/dbraw/zinc/19/43/90/889194390.db2.gz MCPDYKAPJYGJOH-SNVBAGLBSA-N 1 2 290.331 -1.171 20 0 CAADLO O=C(Cc1nnc[nH]1)NC[C@H]1CC[N@H+]1CCn1cncn1 ZINC001401928132 889194397 /nfs/dbraw/zinc/19/43/97/889194397.db2.gz MCPDYKAPJYGJOH-SNVBAGLBSA-N 1 2 290.331 -1.171 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CC[C@@H]1CNC(=O)CCc1cn(C)nn1 ZINC001401913485 889194489 /nfs/dbraw/zinc/19/44/89/889194489.db2.gz IPMZBKYKCBSKCM-MWLCHTKSSA-N 1 2 294.359 -1.188 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CC[C@@H]1CNC(=O)CCc1cn(C)nn1 ZINC001401913485 889194492 /nfs/dbraw/zinc/19/44/92/889194492.db2.gz IPMZBKYKCBSKCM-MWLCHTKSSA-N 1 2 294.359 -1.188 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+]1CC[C@@H]1CNC(=O)Cn1cncn1 ZINC001401906392 889194749 /nfs/dbraw/zinc/19/47/49/889194749.db2.gz BQXNFZPIVDSZQP-NXEZZACHSA-N 1 2 280.332 -1.397 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+]1CC[C@@H]1CNC(=O)Cn1cncn1 ZINC001401906392 889194754 /nfs/dbraw/zinc/19/47/54/889194754.db2.gz BQXNFZPIVDSZQP-NXEZZACHSA-N 1 2 280.332 -1.397 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+]1CC[C@H]1CNC(=O)Cn1cncn1 ZINC001401906400 889194769 /nfs/dbraw/zinc/19/47/69/889194769.db2.gz BQXNFZPIVDSZQP-ZJUUUORDSA-N 1 2 280.332 -1.397 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+]1CC[C@H]1CNC(=O)Cn1cncn1 ZINC001401906400 889194775 /nfs/dbraw/zinc/19/47/75/889194775.db2.gz BQXNFZPIVDSZQP-ZJUUUORDSA-N 1 2 280.332 -1.397 20 0 CAADLO CN1C[C@@H](C(=O)NCC2([NH2+]Cc3cnon3)CC2)NC1=O ZINC001401972099 889197097 /nfs/dbraw/zinc/19/70/97/889197097.db2.gz MJIJLJNTPYAROU-VIFPVBQESA-N 1 2 294.315 -1.168 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(N(C)C(=O)c2cnn(C)c2N)C1 ZINC001402010488 889197462 /nfs/dbraw/zinc/19/74/62/889197462.db2.gz OSKWZYIAJSJVCU-JTQLQIEISA-N 1 2 297.359 -1.234 20 0 CAADLO CN(CC(=O)N(C)C1C[NH+](CCO)C1)S(C)(=O)=O ZINC001402017167 889197839 /nfs/dbraw/zinc/19/78/39/889197839.db2.gz SKGYLMOUFOAWMB-UHFFFAOYSA-N 1 2 279.362 -1.987 20 0 CAADLO Cc1nnc(C[NH2+]C2(CNC(=O)Cn3ncnn3)CC2)[nH]1 ZINC001401945180 889197905 /nfs/dbraw/zinc/19/79/05/889197905.db2.gz RBXDHYPBXGJUIU-UHFFFAOYSA-N 1 2 291.319 -1.462 20 0 CAADLO CC(=O)NCC(=O)N[C@H]1CCC[N@H+](CC(=O)NC2CC2)C1 ZINC001402055206 889199119 /nfs/dbraw/zinc/19/91/19/889199119.db2.gz KEJHVMATZCWQAP-LBPRGKRZSA-N 1 2 296.371 -1.018 20 0 CAADLO CC(=O)NCC(=O)N[C@H]1CCC[N@@H+](CC(=O)NC2CC2)C1 ZINC001402055206 889199124 /nfs/dbraw/zinc/19/91/24/889199124.db2.gz KEJHVMATZCWQAP-LBPRGKRZSA-N 1 2 296.371 -1.018 20 0 CAADLO CC(=O)NCC[NH+]1CCN(CC(=O)N2CCOCC2)CC1 ZINC001402099818 889199250 /nfs/dbraw/zinc/19/92/50/889199250.db2.gz XFHBSKIVOSYPLP-UHFFFAOYSA-N 1 2 298.387 -1.401 20 0 CAADLO COCC(=O)NCCN1CC[NH+](CC(=O)N(C)C)CC1 ZINC001402096807 889199814 /nfs/dbraw/zinc/19/98/14/889199814.db2.gz OGBFRBXBLAOAPN-UHFFFAOYSA-N 1 2 286.376 -1.545 20 0 CAADLO CN(C)S(=O)(=O)NCC(=O)N(C)C1C[NH+](CCO)C1 ZINC001402019663 889200042 /nfs/dbraw/zinc/20/00/42/889200042.db2.gz DDQVXLFCSBBVCW-UHFFFAOYSA-N 1 2 294.377 -2.483 20 0 CAADLO CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001402225463 889203336 /nfs/dbraw/zinc/20/33/36/889203336.db2.gz AQHFYHNXIQVHHP-UWVGGRQHSA-N 1 2 282.344 -1.408 20 0 CAADLO CCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001402225463 889203352 /nfs/dbraw/zinc/20/33/52/889203352.db2.gz AQHFYHNXIQVHHP-UWVGGRQHSA-N 1 2 282.344 -1.408 20 0 CAADLO NC(=O)NC(=O)C[N@@H+]1CC[C@H](NC(=O)COCC2CC2)C1 ZINC001402155552 889205255 /nfs/dbraw/zinc/20/52/55/889205255.db2.gz KFWKTXDZCFPSLL-JTQLQIEISA-N 1 2 298.343 -1.202 20 0 CAADLO NC(=O)NC(=O)C[N@H+]1CC[C@H](NC(=O)COCC2CC2)C1 ZINC001402155552 889205272 /nfs/dbraw/zinc/20/52/72/889205272.db2.gz KFWKTXDZCFPSLL-JTQLQIEISA-N 1 2 298.343 -1.202 20 0 CAADLO C[C@@]1(NC(=O)CS(C)(=O)=O)CC[N@H+](CCCO)C1 ZINC001402138745 889205920 /nfs/dbraw/zinc/20/59/20/889205920.db2.gz OARDBEFYONNTHA-LLVKDONJSA-N 1 2 278.374 -1.006 20 0 CAADLO C[C@@]1(NC(=O)CS(C)(=O)=O)CC[N@@H+](CCCO)C1 ZINC001402138745 889205930 /nfs/dbraw/zinc/20/59/30/889205930.db2.gz OARDBEFYONNTHA-LLVKDONJSA-N 1 2 278.374 -1.006 20 0 CAADLO CNS(=O)(=O)NCC(=O)N[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001402180499 889207556 /nfs/dbraw/zinc/20/75/56/889207556.db2.gz AQJQMFUDSUBNQB-ZETCQYMHSA-N 1 2 293.349 -3.284 20 0 CAADLO CNS(=O)(=O)NCC(=O)N[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001402180499 889207568 /nfs/dbraw/zinc/20/75/68/889207568.db2.gz AQJQMFUDSUBNQB-ZETCQYMHSA-N 1 2 293.349 -3.284 20 0 CAADLO COCCC(=O)NC[C@]1(O)CC[N@H+](Cc2cn(C)nn2)C1 ZINC001402249369 889213142 /nfs/dbraw/zinc/21/31/42/889213142.db2.gz PRXAXCZHFUBAMQ-CYBMUJFWSA-N 1 2 297.359 -1.095 20 0 CAADLO COCCC(=O)NC[C@]1(O)CC[N@@H+](Cc2cn(C)nn2)C1 ZINC001402249369 889213156 /nfs/dbraw/zinc/21/31/56/889213156.db2.gz PRXAXCZHFUBAMQ-CYBMUJFWSA-N 1 2 297.359 -1.095 20 0 CAADLO COC[C@@H](C)[NH+]1CC(O)(CNC(=O)CNC(=O)OC)C1 ZINC001402308203 889220382 /nfs/dbraw/zinc/22/03/82/889220382.db2.gz LDZZNGBDXFYKJA-SECBINFHSA-N 1 2 289.332 -1.460 20 0 CAADLO C[C@@H](O)C[NH+]1CC(O)(CNC(=O)CN2CCCC2=O)C1 ZINC001402304128 889220412 /nfs/dbraw/zinc/22/04/12/889220412.db2.gz BVKIUUFXRBVYAR-SNVBAGLBSA-N 1 2 285.344 -1.848 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(O)(CNC(=O)[C@H]2CCCO2)C1 ZINC001402298048 889221333 /nfs/dbraw/zinc/22/13/33/889221333.db2.gz YSGCVRPDUDBYKC-WDEREUQCSA-N 1 2 288.344 -1.664 20 0 CAADLO CO[C@H](C)C[NH+]1CC(O)(CNC(=O)[C@H]2COCCO2)C1 ZINC001402306175 889221785 /nfs/dbraw/zinc/22/17/85/889221785.db2.gz DMZQOSVCDQLQIQ-GHMZBOCLSA-N 1 2 288.344 -1.400 20 0 CAADLO O=C(C[C@@H]1CCOC1)NCC1(O)C[NH+](CCCO)C1 ZINC001402311335 889221970 /nfs/dbraw/zinc/22/19/70/889221970.db2.gz VVBWAZYDMGXNKR-NSHDSACASA-N 1 2 272.345 -1.042 20 0 CAADLO COCC[NH+]1CC(O)(CNC(=O)c2ccc(=O)[nH]n2)C1 ZINC001402294804 889222237 /nfs/dbraw/zinc/22/22/37/889222237.db2.gz VTDSHZKRISVFHR-UHFFFAOYSA-N 1 2 282.300 -1.395 20 0 CAADLO C[C@H](O)C[NH+]1CC(O)(CNC(=O)CN2CCCC2=O)C1 ZINC001402303483 889223379 /nfs/dbraw/zinc/22/33/79/889223379.db2.gz BVKIUUFXRBVYAR-JTQLQIEISA-N 1 2 285.344 -1.848 20 0 CAADLO CO[C@@H](C)C[NH+]1CC(O)(CNC(=O)[C@@H]2COCCO2)C1 ZINC001402306182 889223470 /nfs/dbraw/zinc/22/34/70/889223470.db2.gz DMZQOSVCDQLQIQ-QWRGUYRKSA-N 1 2 288.344 -1.400 20 0 CAADLO COCC(=O)NCC1(O)C[NH+](CCc2ccnn2C)C1 ZINC001402306863 889223557 /nfs/dbraw/zinc/22/35/57/889223557.db2.gz SULANMPVTJPFIE-UHFFFAOYSA-N 1 2 282.344 -1.228 20 0 CAADLO Cc1cc(C(=O)NCC2(O)C[NH+](C[C@H](C)O)C2)ncn1 ZINC001402325957 889225150 /nfs/dbraw/zinc/22/51/50/889225150.db2.gz ZQDFJUWWIFXSGR-JTQLQIEISA-N 1 2 280.328 -1.058 20 0 CAADLO CO[C@H](C)C[NH+]1CC(O)(CNC(=O)CN(C)C(C)=O)C1 ZINC001402316439 889226544 /nfs/dbraw/zinc/22/65/44/889226544.db2.gz TXACKQHFPVKIND-SNVBAGLBSA-N 1 2 287.360 -1.338 20 0 CAADLO COc1cc(C(=O)NCC2(O)C[NH+](C[C@@H](C)O)C2)ncn1 ZINC001402339643 889229782 /nfs/dbraw/zinc/22/97/82/889229782.db2.gz OPQFVVPUHPRGHE-SECBINFHSA-N 1 2 296.327 -1.358 20 0 CAADLO COCC[NH+]1CC(O)(CNC(=O)c2c[nH]c(=O)cn2)C1 ZINC001402346728 889229931 /nfs/dbraw/zinc/22/99/31/889229931.db2.gz BFPDHCNEQUYQLP-UHFFFAOYSA-N 1 2 282.300 -1.807 20 0 CAADLO O=C(NCC1(O)C[NH+](CCCO)C1)[C@H]1CCNC(=O)CC1 ZINC001402335020 889230087 /nfs/dbraw/zinc/23/00/87/889230087.db2.gz MAINSWSOLWAEFT-LLVKDONJSA-N 1 2 299.371 -1.552 20 0 CAADLO CO[C@H](C)C[NH+]1CC(O)(CNC(=O)c2cn(C)nn2)C1 ZINC001402340772 889230601 /nfs/dbraw/zinc/23/06/01/889230601.db2.gz NKFFLUKVHDLJMA-SECBINFHSA-N 1 2 283.332 -1.374 20 0 CAADLO CNC(=O)NCC(=O)NCC1(O)C[NH+](CC[C@H](C)F)C1 ZINC001402337087 889231112 /nfs/dbraw/zinc/23/11/12/889231112.db2.gz QRGBAVKJBUQKGX-VIFPVBQESA-N 1 2 290.339 -1.174 20 0 CAADLO Cc1ccnn1CC(=O)NCC1(O)C[NH+](C[C@H](C)O)C1 ZINC001402356290 889231871 /nfs/dbraw/zinc/23/18/71/889231871.db2.gz GUCLPDJQYKIJMS-NSHDSACASA-N 1 2 282.344 -1.265 20 0 CAADLO CC[C@H](C(N)=O)N1CC(O)(CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001402362138 889232226 /nfs/dbraw/zinc/23/22/26/889232226.db2.gz QIHKFJVASZIDSL-SECBINFHSA-N 1 2 295.343 -1.621 20 0 CAADLO C[C@H](O)C[NH+]1CC(O)(CNC(=O)C[C@@H]2CCC(=O)N2)C1 ZINC001402351880 889232397 /nfs/dbraw/zinc/23/23/97/889232397.db2.gz IUSDNMRDEYKCCM-UWVGGRQHSA-N 1 2 285.344 -1.801 20 0 CAADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCC1(O)CN(CC(N)=O)C1 ZINC001402350332 889232604 /nfs/dbraw/zinc/23/26/04/889232604.db2.gz FXFZTGSNYWBNGG-SECBINFHSA-N 1 2 295.343 -1.764 20 0 CAADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCC1(O)CN(CC(N)=O)C1 ZINC001402350332 889232621 /nfs/dbraw/zinc/23/26/21/889232621.db2.gz FXFZTGSNYWBNGG-SECBINFHSA-N 1 2 295.343 -1.764 20 0 CAADLO CC[C@@H](C(N)=O)N1CC(O)(CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001402356316 889233011 /nfs/dbraw/zinc/23/30/11/889233011.db2.gz HGJMPPRRPFURFY-JTQLQIEISA-N 1 2 295.343 -1.621 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(O)(CNC(=O)c2ccncn2)C1 ZINC001402365928 889233243 /nfs/dbraw/zinc/23/32/43/889233243.db2.gz SLMYKSSFXPXRTB-JTQLQIEISA-N 1 2 296.327 -1.740 20 0 CAADLO COc1nn(C)cc1C(=O)NCC1(O)C[NH+](CCCO)C1 ZINC001402347925 889233717 /nfs/dbraw/zinc/23/37/17/889233717.db2.gz HWMCJQLUETXAKQ-UHFFFAOYSA-N 1 2 298.343 -1.412 20 0 CAADLO Cc1ncc(C(=O)NCC2(O)C[NH+](C[C@@H](C)O)C2)n1C ZINC001402356798 889235016 /nfs/dbraw/zinc/23/50/16/889235016.db2.gz PGGDNUDSDKVOJJ-SECBINFHSA-N 1 2 282.344 -1.114 20 0 CAADLO C[C@H](O)C[NH+]1CC(O)(CNC(=O)CCNC(N)=O)C1 ZINC001402366163 889236452 /nfs/dbraw/zinc/23/64/52/889236452.db2.gz AVULJUMKLSUJMK-QMMMGPOBSA-N 1 2 274.321 -2.412 20 0 CAADLO NC(=O)NC(=O)C[N@@H+]1CCC[C@](CO)(NC(=O)C2CC2)C1 ZINC001402431404 889237534 /nfs/dbraw/zinc/23/75/34/889237534.db2.gz HANPODXUZAUCAK-ZDUSSCGKSA-N 1 2 298.343 -1.466 20 0 CAADLO NC(=O)NC(=O)C[N@H+]1CCC[C@](CO)(NC(=O)C2CC2)C1 ZINC001402431404 889237549 /nfs/dbraw/zinc/23/75/49/889237549.db2.gz HANPODXUZAUCAK-ZDUSSCGKSA-N 1 2 298.343 -1.466 20 0 CAADLO CNC(=O)NCC(=O)N[C@]1(CO)CCC[N@H+](CCF)C1 ZINC001402448621 889237786 /nfs/dbraw/zinc/23/77/86/889237786.db2.gz LZYMQLNTPZOJKL-GFCCVEGCSA-N 1 2 290.339 -1.172 20 0 CAADLO CC[NH+]1CC(O)(CNC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001402378333 889238331 /nfs/dbraw/zinc/23/83/31/889238331.db2.gz MLIXAYGFBPHYKN-UHFFFAOYSA-N 1 2 282.304 -2.440 20 0 CAADLO C[C@H](O)CCC[NH+]1CC(O)(CNC(=O)Cc2nc[nH]n2)C1 ZINC001402379156 889238501 /nfs/dbraw/zinc/23/85/01/889238501.db2.gz ZWGITAFUSFXLSJ-JTQLQIEISA-N 1 2 297.359 -1.329 20 0 CAADLO NC(=O)NC(=O)C[N@@H+]1CCC[C@@](CO)(NC(=O)C2CC2)C1 ZINC001402431399 889238828 /nfs/dbraw/zinc/23/88/28/889238828.db2.gz HANPODXUZAUCAK-CYBMUJFWSA-N 1 2 298.343 -1.466 20 0 CAADLO NC(=O)NC(=O)C[N@H+]1CCC[C@@](CO)(NC(=O)C2CC2)C1 ZINC001402431399 889238846 /nfs/dbraw/zinc/23/88/46/889238846.db2.gz HANPODXUZAUCAK-CYBMUJFWSA-N 1 2 298.343 -1.466 20 0 CAADLO C[C@H]([NH2+]CCN(CCO)C(=O)Cc1ncn[nH]1)C(N)=O ZINC001402474724 889240327 /nfs/dbraw/zinc/24/03/27/889240327.db2.gz PJPMEHPIMIAMRT-QMMMGPOBSA-N 1 2 284.320 -2.369 20 0 CAADLO O=C(N[C@@]1(CO)CCC[N@H+](CCF)C1)[C@@H]1CNC(=O)N1 ZINC001402463696 889241795 /nfs/dbraw/zinc/24/17/95/889241795.db2.gz LBKMVHZRBDWFPQ-CABZTGNLSA-N 1 2 288.323 -1.420 20 0 CAADLO O=C(N[C@@]1(CO)CCC[N@@H+](CCF)C1)[C@@H]1CNC(=O)N1 ZINC001402463696 889241805 /nfs/dbraw/zinc/24/18/05/889241805.db2.gz LBKMVHZRBDWFPQ-CABZTGNLSA-N 1 2 288.323 -1.420 20 0 CAADLO CC(=O)NCC(=O)NC[C@@H]1COCC[N@H+]1C[C@@H](C)O ZINC001402523559 889244704 /nfs/dbraw/zinc/24/47/04/889244704.db2.gz UMXDXKUODRWXAT-MWLCHTKSSA-N 1 2 273.333 -1.680 20 0 CAADLO CC(=O)NCC(=O)NC[C@@H]1COCC[N@@H+]1C[C@@H](C)O ZINC001402523559 889244717 /nfs/dbraw/zinc/24/47/17/889244717.db2.gz UMXDXKUODRWXAT-MWLCHTKSSA-N 1 2 273.333 -1.680 20 0 CAADLO CC[N@@H+]1CCOC[C@@H]1CNC(=O)CCS(=O)(=O)NC ZINC001402516517 889244578 /nfs/dbraw/zinc/24/45/78/889244578.db2.gz NRJWCFQLGSQCIG-JTQLQIEISA-N 1 2 293.389 -1.237 20 0 CAADLO CC[N@H+]1CCOC[C@@H]1CNC(=O)CCS(=O)(=O)NC ZINC001402516517 889244591 /nfs/dbraw/zinc/24/45/91/889244591.db2.gz NRJWCFQLGSQCIG-JTQLQIEISA-N 1 2 293.389 -1.237 20 0 CAADLO C[C@@H](O)C[N@@H+]1CCOC[C@H]1CNC(=O)CCn1cncn1 ZINC001402492172 889245559 /nfs/dbraw/zinc/24/55/59/889245559.db2.gz AMMOFYZFJVXMCY-VXGBXAGGSA-N 1 2 297.359 -1.134 20 0 CAADLO C[C@@H](O)C[N@H+]1CCOC[C@H]1CNC(=O)CCn1cncn1 ZINC001402492172 889245570 /nfs/dbraw/zinc/24/55/70/889245570.db2.gz AMMOFYZFJVXMCY-VXGBXAGGSA-N 1 2 297.359 -1.134 20 0 CAADLO C[C@H](O)C[N@@H+]1CCOC[C@H]1CNC(=O)CCn1cncn1 ZINC001402492165 889246127 /nfs/dbraw/zinc/24/61/27/889246127.db2.gz AMMOFYZFJVXMCY-NWDGAFQWSA-N 1 2 297.359 -1.134 20 0 CAADLO C[C@H](O)C[N@H+]1CCOC[C@H]1CNC(=O)CCn1cncn1 ZINC001402492165 889246134 /nfs/dbraw/zinc/24/61/34/889246134.db2.gz AMMOFYZFJVXMCY-NWDGAFQWSA-N 1 2 297.359 -1.134 20 0 CAADLO NC(=O)C[NH2+]C[C@H]1CN(C(=O)Cc2ncn[nH]2)CCO1 ZINC001402604414 889254447 /nfs/dbraw/zinc/25/44/47/889254447.db2.gz QOOWZTOUFFJLHN-QMMMGPOBSA-N 1 2 282.304 -2.351 20 0 CAADLO NC(=O)C[N@@H+]1CCCC[C@@H]1CNC(=O)Cc1nc[nH]n1 ZINC001402735838 889258568 /nfs/dbraw/zinc/25/85/68/889258568.db2.gz HQSUZZBMQTYTQR-SECBINFHSA-N 1 2 280.332 -1.197 20 0 CAADLO NC(=O)C[N@H+]1CCCC[C@@H]1CNC(=O)Cc1nc[nH]n1 ZINC001402735838 889258581 /nfs/dbraw/zinc/25/85/81/889258581.db2.gz HQSUZZBMQTYTQR-SECBINFHSA-N 1 2 280.332 -1.197 20 0 CAADLO Cc1noc(C[NH2+][C@@H](C)CNC(=O)Cn2cnnn2)n1 ZINC001402844128 889262415 /nfs/dbraw/zinc/26/24/15/889262415.db2.gz PBYSYSUHSOSRLI-ZETCQYMHSA-N 1 2 280.292 -1.341 20 0 CAADLO CC(=O)N(C)CC(=O)NCC[N@H+](C)CC(=O)N(C)C ZINC001403512380 889307578 /nfs/dbraw/zinc/30/75/78/889307578.db2.gz RPEVXAVWDDWEKE-UHFFFAOYSA-N 1 2 272.349 -1.399 20 0 CAADLO CCO[C@H](C)C(=O)NC1(CO)CC[NH+](CC(N)=O)CC1 ZINC001402867904 889268618 /nfs/dbraw/zinc/26/86/18/889268618.db2.gz XZDRWAKXAVSPCI-SNVBAGLBSA-N 1 2 287.360 -1.160 20 0 CAADLO C[C@H](CNC(=O)Cn1ncn(C)c1=O)[NH2+]Cc1cnon1 ZINC001402927369 889270409 /nfs/dbraw/zinc/27/04/09/889270409.db2.gz CNRXSJORAORTPX-MRVPVSSYSA-N 1 2 295.303 -1.741 20 0 CAADLO C[C@@H](CNC(=O)Cn1ncn(C)c1=O)[NH2+]Cc1cnon1 ZINC001402927380 889270870 /nfs/dbraw/zinc/27/08/70/889270870.db2.gz CNRXSJORAORTPX-QMMMGPOBSA-N 1 2 295.303 -1.741 20 0 CAADLO Cc1nnc(C[NH2+][C@H](C)CNC(=O)Cn2ncnn2)o1 ZINC001402883578 889271061 /nfs/dbraw/zinc/27/10/61/889271061.db2.gz PSXDDOQLORHWPK-SSDOTTSWSA-N 1 2 280.292 -1.341 20 0 CAADLO C[C@H](CNC(=O)[C@@H]1CCC(=O)N1)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001403089217 889279298 /nfs/dbraw/zinc/27/92/98/889279298.db2.gz HKMVXBDXDWZLMS-SFYZADRCSA-N 1 2 296.331 -2.019 20 0 CAADLO C[C@H](CNC(=O)c1ncccn1)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001403081243 889281348 /nfs/dbraw/zinc/28/13/48/889281348.db2.gz KBEQNOXLFYJEQW-MRVPVSSYSA-N 1 2 291.315 -1.194 20 0 CAADLO C[C@@H](CNC(=O)c1cnon1)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001403090777 889283755 /nfs/dbraw/zinc/28/37/55/889283755.db2.gz WLEWQRNLZSKUKI-LURJTMIESA-N 1 2 281.276 -1.601 20 0 CAADLO Cn1cc(CC(=O)NC2(CCO)C[NH+](CCCO)C2)cn1 ZINC001403197145 889289184 /nfs/dbraw/zinc/28/91/84/889289184.db2.gz ISNJHUJCVRNVNO-UHFFFAOYSA-N 1 2 296.371 -1.102 20 0 CAADLO Cn1nccc1C(=O)NC1(CCO)C[NH+](CCCO)C1 ZINC001403204900 889289526 /nfs/dbraw/zinc/28/95/26/889289526.db2.gz XTBYVEXIKJSYEC-UHFFFAOYSA-N 1 2 282.344 -1.031 20 0 CAADLO O=C(NC1(CCO)C[NH+](CCCO)C1)C1=COCCO1 ZINC001403198283 889291731 /nfs/dbraw/zinc/29/17/31/889291731.db2.gz ANWSAFLLCCSGJX-UHFFFAOYSA-N 1 2 286.328 -1.190 20 0 CAADLO O=C(CCn1cccn1)NC1(CCO)C[NH+](CCO)C1 ZINC001403226888 889293362 /nfs/dbraw/zinc/29/33/62/889293362.db2.gz YWBMXYSTCXAHLG-UHFFFAOYSA-N 1 2 282.344 -1.182 20 0 CAADLO O=C(NC1(CCO)C[NH+](CCO)C1)[C@@H]1CCC(=O)NC1 ZINC001403220685 889293574 /nfs/dbraw/zinc/29/35/74/889293574.db2.gz UFKUXKPVRGOPIO-SNVBAGLBSA-N 1 2 285.344 -1.942 20 0 CAADLO C[C@H](O)C[NH+]1CC(CCO)(NC(=O)Cc2nc[nH]n2)C1 ZINC001403240606 889294581 /nfs/dbraw/zinc/29/45/81/889294581.db2.gz WYSSIBXZOSLVKQ-VIFPVBQESA-N 1 2 283.332 -1.719 20 0 CAADLO CNC(=O)NCC(=O)NC1(CCO)C[NH+](C[C@H](C)O)C1 ZINC001403217106 889294425 /nfs/dbraw/zinc/29/44/25/889294425.db2.gz WELGAAGFEHHIGL-VIFPVBQESA-N 1 2 288.348 -2.151 20 0 CAADLO C[C@H](NC(N)=O)C(=O)NC1(CCO)C[NH+](CCO)C1 ZINC001403227363 889294655 /nfs/dbraw/zinc/29/46/55/889294655.db2.gz NTHLYJWBTSOWIC-QMMMGPOBSA-N 1 2 274.321 -2.412 20 0 CAADLO C[C@H](C(=O)NC1(CCO)C[NH+](CCO)C1)[C@@H]1CCC(=O)N1 ZINC001403228071 889295014 /nfs/dbraw/zinc/29/50/14/889295014.db2.gz UBPDLRSQAWYAMU-QWRGUYRKSA-N 1 2 299.371 -1.554 20 0 CAADLO COC[C@H](O)C[NH+]1CC(CCO)(NC(=O)c2ccn[nH]2)C1 ZINC001403222410 889295066 /nfs/dbraw/zinc/29/50/66/889295066.db2.gz REBVNGAUIYTWOA-SNVBAGLBSA-N 1 2 298.343 -1.416 20 0 CAADLO C[C@H](NC(N)=O)C(=O)NC1(CCO)C[NH+](CCCO)C1 ZINC001403222247 889295108 /nfs/dbraw/zinc/29/51/08/889295108.db2.gz BDUSACVHNIQLNU-VIFPVBQESA-N 1 2 288.348 -2.021 20 0 CAADLO C[C@@H](C(=O)NC1(CCO)C[NH+](CCCO)C1)n1cncn1 ZINC001403223953 889295131 /nfs/dbraw/zinc/29/51/31/889295131.db2.gz FQWHVFMHKYHAKA-NSHDSACASA-N 1 2 297.359 -1.226 20 0 CAADLO C[C@@H](C(=O)NC1(CCO)C[NH+](CCO)C1)[C@@H]1CCC(=O)N1 ZINC001403228067 889295168 /nfs/dbraw/zinc/29/51/68/889295168.db2.gz UBPDLRSQAWYAMU-MNOVXSKESA-N 1 2 299.371 -1.554 20 0 CAADLO O=C(CCc1cn[nH]c1)NC1(CCO)C[NH+](CCO)C1 ZINC001403245068 889296041 /nfs/dbraw/zinc/29/60/41/889296041.db2.gz YXYNFHVUWSFIPR-UHFFFAOYSA-N 1 2 282.344 -1.112 20 0 CAADLO C[C@H](NC(=O)C[C@H]1CCC(=O)NC1)C1C[NH+](CC(N)=O)C1 ZINC001403298008 889297581 /nfs/dbraw/zinc/29/75/81/889297581.db2.gz FSIMTCPMZPJLTE-VHSXEESVSA-N 1 2 296.371 -1.176 20 0 CAADLO CCNC(=O)C[NH+]1CC([C@@H](C)NC(=O)Cc2nc[nH]n2)C1 ZINC001403327669 889297986 /nfs/dbraw/zinc/29/79/86/889297986.db2.gz MDVDFNQAGAHAIM-SECBINFHSA-N 1 2 294.359 -1.080 20 0 CAADLO CCNC(=O)C[NH+]1CC([C@H](C)NC(=O)Cc2nc[nH]n2)C1 ZINC001403327675 889298535 /nfs/dbraw/zinc/29/85/35/889298535.db2.gz MDVDFNQAGAHAIM-VIFPVBQESA-N 1 2 294.359 -1.080 20 0 CAADLO NC(=O)CCCC(=O)NC1(CCO)C[NH+](CCO)C1 ZINC001403261118 889298726 /nfs/dbraw/zinc/29/87/26/889298726.db2.gz SVJQNSAFUOJIIZ-UHFFFAOYSA-N 1 2 273.333 -1.813 20 0 CAADLO C[C@@H](NC(=O)CN(C)C(=O)C1CC1)C1C[NH+](CC(N)=O)C1 ZINC001403297911 889299139 /nfs/dbraw/zinc/29/91/39/889299139.db2.gz FNBOBDONUIDQPD-SECBINFHSA-N 1 2 296.371 -1.223 20 0 CAADLO CC1(C)C[N@H+](CC(N)=O)C[C@@H]1NC(=O)CNC(=O)C1CC1 ZINC001403354459 889299393 /nfs/dbraw/zinc/29/93/93/889299393.db2.gz DLLTVRORSMEFAU-JTQLQIEISA-N 1 2 296.371 -1.176 20 0 CAADLO CC1(C)C[N@@H+](CC(N)=O)C[C@@H]1NC(=O)CNC(=O)C1CC1 ZINC001403354459 889299408 /nfs/dbraw/zinc/29/94/08/889299408.db2.gz DLLTVRORSMEFAU-JTQLQIEISA-N 1 2 296.371 -1.176 20 0 CAADLO C[C@H](NC(N)=O)C(=O)N[C@H]1C[N@H+](CC(N)=O)CC1(C)C ZINC001403354488 889299746 /nfs/dbraw/zinc/29/97/46/889299746.db2.gz GWKPNFMQIMOKHX-YUMQZZPRSA-N 1 2 285.348 -1.645 20 0 CAADLO C[C@H](NC(N)=O)C(=O)N[C@H]1C[N@@H+](CC(N)=O)CC1(C)C ZINC001403354488 889299761 /nfs/dbraw/zinc/29/97/61/889299761.db2.gz GWKPNFMQIMOKHX-YUMQZZPRSA-N 1 2 285.348 -1.645 20 0 CAADLO C[C@@H](NC(=O)C[C@H]1CCC(=O)NC1)C1C[NH+](CC(N)=O)C1 ZINC001403298003 889300490 /nfs/dbraw/zinc/30/04/90/889300490.db2.gz FSIMTCPMZPJLTE-NXEZZACHSA-N 1 2 296.371 -1.176 20 0 CAADLO CCNC(=O)C[N@H+](C)CCNC(=O)[C@H]1CCC(=O)N1 ZINC001403503224 889305713 /nfs/dbraw/zinc/30/57/13/889305713.db2.gz BWPHNAFCGJFQNU-SECBINFHSA-N 1 2 270.333 -1.551 20 0 CAADLO CCNC(=O)C[N@@H+](C)CCNC(=O)[C@H]1CCC(=O)N1 ZINC001403503224 889305724 /nfs/dbraw/zinc/30/57/24/889305724.db2.gz BWPHNAFCGJFQNU-SECBINFHSA-N 1 2 270.333 -1.551 20 0 CAADLO CC(=O)N(C)CC(=O)NCC[N@@H+](C)CC(=O)N(C)C ZINC001403512380 889307565 /nfs/dbraw/zinc/30/75/65/889307565.db2.gz RPEVXAVWDDWEKE-UHFFFAOYSA-N 1 2 272.349 -1.399 20 0 CAADLO C[C@H](CCNC(=O)Cc1nc[nH]n1)[NH2+]Cc1nnn(C)n1 ZINC001403468991 889308747 /nfs/dbraw/zinc/30/87/47/889308747.db2.gz QMHQINXEAICJIN-MRVPVSSYSA-N 1 2 293.335 -1.445 20 0 CAADLO CCN1C[C@@H](C(=O)NCC[N@H+](C)CC(=O)N(C)C)CC1=O ZINC001403558338 889311061 /nfs/dbraw/zinc/31/10/61/889311061.db2.gz AFOUKJOWMGDQTA-NSHDSACASA-N 1 2 298.387 -1.009 20 0 CAADLO CCN1C[C@@H](C(=O)NCC[N@@H+](C)CC(=O)N(C)C)CC1=O ZINC001403558338 889311081 /nfs/dbraw/zinc/31/10/81/889311081.db2.gz AFOUKJOWMGDQTA-NSHDSACASA-N 1 2 298.387 -1.009 20 0 CAADLO CCN1C[C@H](C(=O)NCC[N@H+](C)CC(=O)N(C)C)CC1=O ZINC001403558334 889311912 /nfs/dbraw/zinc/31/19/12/889311912.db2.gz AFOUKJOWMGDQTA-LLVKDONJSA-N 1 2 298.387 -1.009 20 0 CAADLO CCN1C[C@H](C(=O)NCC[N@@H+](C)CC(=O)N(C)C)CC1=O ZINC001403558334 889311920 /nfs/dbraw/zinc/31/19/20/889311920.db2.gz AFOUKJOWMGDQTA-LLVKDONJSA-N 1 2 298.387 -1.009 20 0 CAADLO CCS(=O)(=O)N[C@H](C)C(=O)NCC[N@H+](C)CC(N)=O ZINC001403559819 889314552 /nfs/dbraw/zinc/31/45/52/889314552.db2.gz BETRWQFEMWVNHA-MRVPVSSYSA-N 1 2 294.377 -2.153 20 0 CAADLO CCS(=O)(=O)N[C@H](C)C(=O)NCC[N@@H+](C)CC(N)=O ZINC001403559819 889314562 /nfs/dbraw/zinc/31/45/62/889314562.db2.gz BETRWQFEMWVNHA-MRVPVSSYSA-N 1 2 294.377 -2.153 20 0 CAADLO CC(=O)N1CC(C(=O)NCC[N@@H+](C)CC(=O)NC2CC2)C1 ZINC001403540079 889314947 /nfs/dbraw/zinc/31/49/47/889314947.db2.gz NSEMBSDFOKNYLR-UHFFFAOYSA-N 1 2 296.371 -1.209 20 0 CAADLO CC(=O)N1CC(C(=O)NCC[N@H+](C)CC(=O)NC2CC2)C1 ZINC001403540079 889314963 /nfs/dbraw/zinc/31/49/63/889314963.db2.gz NSEMBSDFOKNYLR-UHFFFAOYSA-N 1 2 296.371 -1.209 20 0 CAADLO CNC(=O)C[N@H+](C)CCNC(=O)Cn1cnc(C(N)=O)n1 ZINC001403569014 889316885 /nfs/dbraw/zinc/31/68/85/889316885.db2.gz VPQZUJCJENDBSP-UHFFFAOYSA-N 1 2 297.319 -2.829 20 0 CAADLO CNC(=O)C[N@@H+](C)CCNC(=O)Cn1cnc(C(N)=O)n1 ZINC001403569014 889316897 /nfs/dbraw/zinc/31/68/97/889316897.db2.gz VPQZUJCJENDBSP-UHFFFAOYSA-N 1 2 297.319 -2.829 20 0 CAADLO C[C@@H](CN(C)C(=O)c1nc[nH]n1)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001403604898 889317270 /nfs/dbraw/zinc/31/72/70/889317270.db2.gz GESKOFQOEHMNJR-ZETCQYMHSA-N 1 2 294.319 -1.523 20 0 CAADLO CCS(=O)(=O)NCC(=O)NCC[N@H+](C)CC(=O)NC ZINC001403569916 889317738 /nfs/dbraw/zinc/31/77/38/889317738.db2.gz VNEKBPVZUCREFT-UHFFFAOYSA-N 1 2 294.377 -2.280 20 0 CAADLO CCS(=O)(=O)NCC(=O)NCC[N@@H+](C)CC(=O)NC ZINC001403569916 889317758 /nfs/dbraw/zinc/31/77/58/889317758.db2.gz VNEKBPVZUCREFT-UHFFFAOYSA-N 1 2 294.377 -2.280 20 0 CAADLO CCNC(=O)C[N@H+](C)CCNC(=O)[C@@H]1CCC(=O)NC1 ZINC001403610897 889318382 /nfs/dbraw/zinc/31/83/82/889318382.db2.gz PXWDVGJCERQVRA-SNVBAGLBSA-N 1 2 284.360 -1.303 20 0 CAADLO CCNC(=O)C[N@@H+](C)CCNC(=O)[C@@H]1CCC(=O)NC1 ZINC001403610897 889318388 /nfs/dbraw/zinc/31/83/88/889318388.db2.gz PXWDVGJCERQVRA-SNVBAGLBSA-N 1 2 284.360 -1.303 20 0 CAADLO C[N@H+](CCNC(=O)c1cccc(C(N)=O)c1)CC(N)=O ZINC001403605725 889318899 /nfs/dbraw/zinc/31/88/99/889318899.db2.gz JXDZIDJALAUBKS-UHFFFAOYSA-N 1 2 278.312 -1.068 20 0 CAADLO C[N@@H+](CCNC(=O)c1cccc(C(N)=O)c1)CC(N)=O ZINC001403605725 889318912 /nfs/dbraw/zinc/31/89/12/889318912.db2.gz JXDZIDJALAUBKS-UHFFFAOYSA-N 1 2 278.312 -1.068 20 0 CAADLO CCNC(=O)C[N@H+](C)CCNC(=O)C[C@H](C)NC(N)=O ZINC001403570806 889320027 /nfs/dbraw/zinc/32/00/27/889320027.db2.gz YQRVHRRSPNRLPC-VIFPVBQESA-N 1 2 287.364 -1.383 20 0 CAADLO CCNC(=O)C[N@@H+](C)CCNC(=O)C[C@H](C)NC(N)=O ZINC001403570806 889320039 /nfs/dbraw/zinc/32/00/39/889320039.db2.gz YQRVHRRSPNRLPC-VIFPVBQESA-N 1 2 287.364 -1.383 20 0 CAADLO CC(=O)NC[C@@H](CO)[NH2+]Cc1nnnn1CC(F)(F)F ZINC001403630079 889320783 /nfs/dbraw/zinc/32/07/83/889320783.db2.gz YLVZPZDPFCGUQQ-ZETCQYMHSA-N 1 2 296.253 -1.178 20 0 CAADLO COCCC(=O)NC[C@@H](CO)[NH2+]Cc1cn(C)nn1 ZINC001403623879 889321158 /nfs/dbraw/zinc/32/11/58/889321158.db2.gz NJNPDJWVVOBUCL-JTQLQIEISA-N 1 2 271.321 -1.582 20 0 CAADLO Cc1cc(C(=O)NC[C@H](CO)[NH2+]Cc2cnn(C)n2)on1 ZINC001403638032 889322164 /nfs/dbraw/zinc/32/21/64/889322164.db2.gz AHCTVNMSTYJAQV-SNVBAGLBSA-N 1 2 294.315 -1.008 20 0 CAADLO C[N@H+](CCNC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)CC(N)=O ZINC001403620675 889322458 /nfs/dbraw/zinc/32/24/58/889322458.db2.gz BMUVKZYCPDJCRX-JBLDHEPKSA-N 1 2 285.344 -1.429 20 0 CAADLO C[N@@H+](CCNC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)CC(N)=O ZINC001403620675 889322461 /nfs/dbraw/zinc/32/24/61/889322461.db2.gz BMUVKZYCPDJCRX-JBLDHEPKSA-N 1 2 285.344 -1.429 20 0 CAADLO CNC(=O)C[N@H+](C)CCNC(=O)Cn1ccc(=O)[nH]c1=O ZINC001403621981 889323191 /nfs/dbraw/zinc/32/31/91/889323191.db2.gz YUTGKZYLMKHEMR-UHFFFAOYSA-N 1 2 297.315 -2.257 20 0 CAADLO CNC(=O)C[N@@H+](C)CCNC(=O)Cn1ccc(=O)[nH]c1=O ZINC001403621981 889323205 /nfs/dbraw/zinc/32/32/05/889323205.db2.gz YUTGKZYLMKHEMR-UHFFFAOYSA-N 1 2 297.315 -2.257 20 0 CAADLO CCC(=O)NC[C@@H](CO)[NH2+]Cc1nnc2n1CCOC2 ZINC001403631204 889323235 /nfs/dbraw/zinc/32/32/35/889323235.db2.gz ZWKIJRBSOHTFKW-VIFPVBQESA-N 1 2 283.332 -1.215 20 0 CAADLO CC(=O)NC[C@@H](CO)[NH2+]Cc1cc(=O)n2[nH]ccc2n1 ZINC001403618073 889323664 /nfs/dbraw/zinc/32/36/64/889323664.db2.gz GHCVEPRSIVTXRA-JTQLQIEISA-N 1 2 279.300 -1.391 20 0 CAADLO Cn1ccc(=O)c(C(=O)NCC[N@H+](C)[C@H]2CCNC2=O)c1 ZINC001403632137 889323714 /nfs/dbraw/zinc/32/37/14/889323714.db2.gz VCPCBOWFFCMADF-NSHDSACASA-N 1 2 292.339 -1.065 20 0 CAADLO Cn1ccc(=O)c(C(=O)NCC[N@@H+](C)[C@H]2CCNC2=O)c1 ZINC001403632137 889323722 /nfs/dbraw/zinc/32/37/22/889323722.db2.gz VCPCBOWFFCMADF-NSHDSACASA-N 1 2 292.339 -1.065 20 0 CAADLO Cn1ncc(C[NH2+][C@@H](CO)CNC(=O)c2cncnc2)n1 ZINC001403639170 889325892 /nfs/dbraw/zinc/32/58/92/889325892.db2.gz GQDKLEMHEFHBCI-LLVKDONJSA-N 1 2 291.315 -1.514 20 0 CAADLO CCN(C)C(=O)C[N@H+](C)CCNC(=O)c1nnn(C)n1 ZINC001403638851 889326655 /nfs/dbraw/zinc/32/66/55/889326655.db2.gz JUNQYIBOERVGCK-UHFFFAOYSA-N 1 2 283.336 -1.650 20 0 CAADLO CCN(C)C(=O)C[N@@H+](C)CCNC(=O)c1nnn(C)n1 ZINC001403638851 889326664 /nfs/dbraw/zinc/32/66/64/889326664.db2.gz JUNQYIBOERVGCK-UHFFFAOYSA-N 1 2 283.336 -1.650 20 0 CAADLO CCC[C@@H](C(=O)NCC[N@H+](C)CC(N)=O)S(N)(=O)=O ZINC001403642510 889326882 /nfs/dbraw/zinc/32/68/82/889326882.db2.gz PSRROGWZABDTQW-QMMMGPOBSA-N 1 2 294.377 -2.023 20 0 CAADLO CCC[C@@H](C(=O)NCC[N@@H+](C)CC(N)=O)S(N)(=O)=O ZINC001403642510 889326889 /nfs/dbraw/zinc/32/68/89/889326889.db2.gz PSRROGWZABDTQW-QMMMGPOBSA-N 1 2 294.377 -2.023 20 0 CAADLO CC(C)CNC(=O)C[N@H+](C)CCNC(=O)c1nnn(C)n1 ZINC001403644501 889327655 /nfs/dbraw/zinc/32/76/55/889327655.db2.gz VTDNMAZONVXCJO-UHFFFAOYSA-N 1 2 297.363 -1.356 20 0 CAADLO CC(C)CNC(=O)C[N@@H+](C)CCNC(=O)c1nnn(C)n1 ZINC001403644501 889327674 /nfs/dbraw/zinc/32/76/74/889327674.db2.gz VTDNMAZONVXCJO-UHFFFAOYSA-N 1 2 297.363 -1.356 20 0 CAADLO O=C(NC[C@H](CO)[NH2+]Cc1ccon1)[C@H]1COCCO1 ZINC001403649218 889332746 /nfs/dbraw/zinc/33/27/46/889332746.db2.gz JNPRVVDGIAYGDI-GHMZBOCLSA-N 1 2 285.300 -1.343 20 0 CAADLO Cn1ncnc1C[NH2+][C@@H](CO)CNC(=O)c1ccn[nH]1 ZINC001403657940 889334664 /nfs/dbraw/zinc/33/46/64/889334664.db2.gz RIKUXUBCKPZZLR-MRVPVSSYSA-N 1 2 279.304 -1.581 20 0 CAADLO CCn1cc(C[NH2+][C@H](CO)CNC(=O)c2ncc[nH]2)nn1 ZINC001403663965 889335254 /nfs/dbraw/zinc/33/52/54/889335254.db2.gz UGWREVYAZHTZRH-JTQLQIEISA-N 1 2 293.331 -1.098 20 0 CAADLO Cn1cc(C[NH2+][C@H](CO)CNC(=O)c2ccn[nH]2)nn1 ZINC001403656018 889335456 /nfs/dbraw/zinc/33/54/56/889335456.db2.gz QBVIXZJDGBWLDG-VIFPVBQESA-N 1 2 279.304 -1.581 20 0 CAADLO Cn1ccc(C[NH2+][C@H](CO)CNC(=O)c2cn[nH]n2)n1 ZINC001403657957 889335891 /nfs/dbraw/zinc/33/58/91/889335891.db2.gz AGEOPVPNJXFXDC-VIFPVBQESA-N 1 2 279.304 -1.581 20 0 CAADLO Cn1ncc(C[NH2+][C@@H](CO)CNC(=O)[C@H]2CCCO2)n1 ZINC001403655321 889336267 /nfs/dbraw/zinc/33/62/67/889336267.db2.gz RVPSTGNDPUHUAF-GHMZBOCLSA-N 1 2 283.332 -1.439 20 0 CAADLO Cc1nonc1C[NH2+][C@@H](CO)CNC(=O)[C@H]1CCOC1 ZINC001403662344 889337237 /nfs/dbraw/zinc/33/72/37/889337237.db2.gz ZVCNHXIYLDRYDR-VHSXEESVSA-N 1 2 284.316 -1.019 20 0 CAADLO CN(C(=O)C[N@H+](C)CCNC(=O)[C@@H]1CNC(=O)N1)C1CC1 ZINC001403666015 889338257 /nfs/dbraw/zinc/33/82/57/889338257.db2.gz GZTSKWWWDQRCSJ-JTQLQIEISA-N 1 2 297.359 -1.663 20 0 CAADLO CN(C(=O)C[N@@H+](C)CCNC(=O)[C@@H]1CNC(=O)N1)C1CC1 ZINC001403666015 889338268 /nfs/dbraw/zinc/33/82/68/889338268.db2.gz GZTSKWWWDQRCSJ-JTQLQIEISA-N 1 2 297.359 -1.663 20 0 CAADLO CCCNC(=O)C[N@H+](C)CCNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001403669970 889340703 /nfs/dbraw/zinc/34/07/03/889340703.db2.gz ZUUPURNHMFNSCY-JTQLQIEISA-N 1 2 299.375 -1.416 20 0 CAADLO CCCNC(=O)C[N@@H+](C)CCNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001403669970 889340718 /nfs/dbraw/zinc/34/07/18/889340718.db2.gz ZUUPURNHMFNSCY-JTQLQIEISA-N 1 2 299.375 -1.416 20 0 CAADLO C[C@H]([NH2+][C@H](CO)CNC(=O)c1cc[nH]c1)c1nnnn1C ZINC001403665643 889341583 /nfs/dbraw/zinc/34/15/83/889341583.db2.gz JEESFSKFNLMOLR-WPRPVWTQSA-N 1 2 293.331 -1.020 20 0 CAADLO C[C@H]([NH2+][C@@H](CO)CNC(=O)c1cc[nH]c1)c1nnnn1C ZINC001403665630 889341601 /nfs/dbraw/zinc/34/16/01/889341601.db2.gz JEESFSKFNLMOLR-WCBMZHEXSA-N 1 2 293.331 -1.020 20 0 CAADLO CNC(=O)NCCC(=O)NC[C@@H](CO)[NH2+]Cc1ccon1 ZINC001403669658 889341750 /nfs/dbraw/zinc/34/17/50/889341750.db2.gz ZGNMSDDHSDYVIP-JTQLQIEISA-N 1 2 299.331 -1.440 20 0 CAADLO Cn1cnnc1C[NH2+][C@H](CO)CNC(=O)[C@]12C[C@H]1COC2 ZINC001403676413 889343350 /nfs/dbraw/zinc/34/33/50/889343350.db2.gz RCONMCUWBUSSRG-KWBADKCTSA-N 1 2 295.343 -1.582 20 0 CAADLO C[N@H+](CCNC(=O)[C@@H]1CCc2nnnn2CC1)CC(N)=O ZINC001403684139 889344355 /nfs/dbraw/zinc/34/43/55/889344355.db2.gz LGJWBELVFFEROV-SECBINFHSA-N 1 2 295.347 -1.841 20 0 CAADLO C[N@@H+](CCNC(=O)[C@@H]1CCc2nnnn2CC1)CC(N)=O ZINC001403684139 889344363 /nfs/dbraw/zinc/34/43/63/889344363.db2.gz LGJWBELVFFEROV-SECBINFHSA-N 1 2 295.347 -1.841 20 0 CAADLO C[N@H+](CCNC(=O)[C@H]1CCc2nnnn2CC1)CC(N)=O ZINC001403684140 889344437 /nfs/dbraw/zinc/34/44/37/889344437.db2.gz LGJWBELVFFEROV-VIFPVBQESA-N 1 2 295.347 -1.841 20 0 CAADLO C[N@@H+](CCNC(=O)[C@H]1CCc2nnnn2CC1)CC(N)=O ZINC001403684140 889344448 /nfs/dbraw/zinc/34/44/48/889344448.db2.gz LGJWBELVFFEROV-VIFPVBQESA-N 1 2 295.347 -1.841 20 0 CAADLO COC[C@H](C)C(=O)NC[C@H](CO)[NH2+]Cc1cn(C)nn1 ZINC001403693100 889349334 /nfs/dbraw/zinc/34/93/34/889349334.db2.gz ZTHPKQPLUVXXCO-GXSJLCMTSA-N 1 2 285.348 -1.336 20 0 CAADLO COC[C@@H](C)C(=O)NC[C@H](CO)[NH2+]Cc1cn(C)nn1 ZINC001403693103 889350009 /nfs/dbraw/zinc/35/00/09/889350009.db2.gz ZTHPKQPLUVXXCO-MWLCHTKSSA-N 1 2 285.348 -1.336 20 0 CAADLO C[C@H]([NH2+][C@@H](CO)CNC(=O)c1cnco1)c1nnnn1C ZINC001403700089 889351022 /nfs/dbraw/zinc/35/10/22/889351022.db2.gz RCMQEMVYPVMEMZ-JGVFFNPUSA-N 1 2 295.303 -1.360 20 0 CAADLO Cc1nc(C[NH2+][C@@H](CO)CNC(=O)[C@H]2C[C@H]2C(N)=O)co1 ZINC001403707225 889351113 /nfs/dbraw/zinc/35/11/13/889351113.db2.gz VBUMTPYTJTZKAJ-IEBDPFPHSA-N 1 2 296.327 -1.329 20 0 CAADLO Cn1cc(C[NH2+][C@H](CO)CNC(=O)c2ccncn2)nn1 ZINC001403704319 889351766 /nfs/dbraw/zinc/35/17/66/889351766.db2.gz KSAKTMYUNPSDQO-JTQLQIEISA-N 1 2 291.315 -1.514 20 0 CAADLO Cc1c[nH]c(C(=O)NC[C@@H](CO)[NH2+]Cc2nncn2C)n1 ZINC001403699955 889351856 /nfs/dbraw/zinc/35/18/56/889351856.db2.gz FXNYSMBNALCYED-VIFPVBQESA-N 1 2 293.331 -1.273 20 0 CAADLO Cc1nc(C[NH2+][C@H](CO)CNC(=O)[C@H]2C[C@H]2C(N)=O)co1 ZINC001403707215 889354005 /nfs/dbraw/zinc/35/40/05/889354005.db2.gz VBUMTPYTJTZKAJ-GDPRMGEGSA-N 1 2 296.327 -1.329 20 0 CAADLO C[C@@H]([NH2+][C@H](CO)CNC(=O)c1cnco1)c1nnnn1C ZINC001403700099 889354531 /nfs/dbraw/zinc/35/45/31/889354531.db2.gz RCMQEMVYPVMEMZ-SFYZADRCSA-N 1 2 295.303 -1.360 20 0 CAADLO Cc1nnc(C[NH2+][C@@H](CO)CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)[nH]1 ZINC001403712212 889356076 /nfs/dbraw/zinc/35/60/76/889356076.db2.gz SYILRPIRPULMIZ-SVDPJWKOSA-N 1 2 295.343 -1.428 20 0 CAADLO Cc1ncc(C[NH2+][C@H](CO)CNC(=O)c2ncn[nH]2)cn1 ZINC001403710783 889357862 /nfs/dbraw/zinc/35/78/62/889357862.db2.gz SCLLDEISVBQOBB-JTQLQIEISA-N 1 2 291.315 -1.216 20 0 CAADLO Cc1ncc(C[NH2+][C@H](CO)CNC(=O)c2nc[nH]n2)cn1 ZINC001403710783 889357869 /nfs/dbraw/zinc/35/78/69/889357869.db2.gz SCLLDEISVBQOBB-JTQLQIEISA-N 1 2 291.315 -1.216 20 0 CAADLO Cn1nnc(CN[C@@H](CO)CNC(=O)Cn2cc[nH+]c2)n1 ZINC001403735706 889361095 /nfs/dbraw/zinc/36/10/95/889361095.db2.gz DHTHKLHXFWIOJV-SECBINFHSA-N 1 2 294.319 -2.327 20 0 CAADLO Cn1cnnc1C[NH2+][C@H](CO)CNC(=O)Cn1cncn1 ZINC001403727071 889362837 /nfs/dbraw/zinc/36/28/37/889362837.db2.gz OJYWUBQOSNHALU-VIFPVBQESA-N 1 2 294.319 -2.327 20 0 CAADLO Cc1nonc1CN[C@H](CO)CNC(=O)Cn1cc[nH+]c1 ZINC001403745830 889364236 /nfs/dbraw/zinc/36/42/36/889364236.db2.gz LZTBEAORIAWHAR-JTQLQIEISA-N 1 2 294.315 -1.159 20 0 CAADLO CN1C(=O)CCC[C@@H]1C(=O)NCC[N@H+](C)CC(N)=O ZINC001403761565 889364305 /nfs/dbraw/zinc/36/43/05/889364305.db2.gz VCICKFPMSMPGJX-SECBINFHSA-N 1 2 270.333 -1.469 20 0 CAADLO CN1C(=O)CCC[C@@H]1C(=O)NCC[N@@H+](C)CC(N)=O ZINC001403761565 889364312 /nfs/dbraw/zinc/36/43/12/889364312.db2.gz VCICKFPMSMPGJX-SECBINFHSA-N 1 2 270.333 -1.469 20 0 CAADLO CNC(=O)C[NH2+][C@H]1CCN(C(=O)Cc2ncn[nH]2)[C@@H]1C ZINC001403780811 889364527 /nfs/dbraw/zinc/36/45/27/889364527.db2.gz XXYNBJBMMUIWPL-BDAKNGLRSA-N 1 2 280.332 -1.328 20 0 CAADLO Cn1nc(C2CC2)nc1CC(=O)NCC[N@H+](C)CC(N)=O ZINC001403778767 889364709 /nfs/dbraw/zinc/36/47/09/889364709.db2.gz BIUXCEHSADPSHZ-UHFFFAOYSA-N 1 2 294.359 -1.232 20 0 CAADLO Cn1nc(C2CC2)nc1CC(=O)NCC[N@@H+](C)CC(N)=O ZINC001403778767 889364722 /nfs/dbraw/zinc/36/47/22/889364722.db2.gz BIUXCEHSADPSHZ-UHFFFAOYSA-N 1 2 294.359 -1.232 20 0 CAADLO Cn1nnnc1C[NH2+][C@@H](CO)CNC(=O)Cc1ccc[nH]1 ZINC001403747041 889365736 /nfs/dbraw/zinc/36/57/36/889365736.db2.gz VBWJJFSAIAHQPL-SNVBAGLBSA-N 1 2 293.331 -1.652 20 0 CAADLO C[N@H+](CCNC(=O)[C@@H]1CCC(=O)N1)CC(=O)N1CCCC1 ZINC001403752733 889366433 /nfs/dbraw/zinc/36/64/33/889366433.db2.gz PRWGGWRQJOEIIY-NSHDSACASA-N 1 2 296.371 -1.065 20 0 CAADLO C[N@@H+](CCNC(=O)[C@@H]1CCC(=O)N1)CC(=O)N1CCCC1 ZINC001403752733 889366449 /nfs/dbraw/zinc/36/64/49/889366449.db2.gz PRWGGWRQJOEIIY-NSHDSACASA-N 1 2 296.371 -1.065 20 0 CAADLO CNC(=O)C[N@H+](C)CCNC(=O)CNC(=O)C(C)(C)C ZINC001403773885 889367156 /nfs/dbraw/zinc/36/71/56/889367156.db2.gz FKEDKHWTJYACSV-UHFFFAOYSA-N 1 2 286.376 -1.057 20 0 CAADLO CNC(=O)C[N@@H+](C)CCNC(=O)CNC(=O)C(C)(C)C ZINC001403773885 889367166 /nfs/dbraw/zinc/36/71/66/889367166.db2.gz FKEDKHWTJYACSV-UHFFFAOYSA-N 1 2 286.376 -1.057 20 0 CAADLO CC(C)NC(=O)C[N@H+](C)CCNC(=O)Cn1cncn1 ZINC001403769692 889367230 /nfs/dbraw/zinc/36/72/30/889367230.db2.gz XJWHLGGEZLDMKQ-UHFFFAOYSA-N 1 2 282.348 -1.149 20 0 CAADLO CC(C)NC(=O)C[N@@H+](C)CCNC(=O)Cn1cncn1 ZINC001403769692 889367239 /nfs/dbraw/zinc/36/72/39/889367239.db2.gz XJWHLGGEZLDMKQ-UHFFFAOYSA-N 1 2 282.348 -1.149 20 0 CAADLO Cn1cc(C[NH2+][C@@H](CO)CNC(=O)Cc2ccc[nH]2)nn1 ZINC001403746809 889367316 /nfs/dbraw/zinc/36/73/16/889367316.db2.gz UKJJCUTWNXFWCY-GFCCVEGCSA-N 1 2 292.343 -1.047 20 0 CAADLO CN(C[C@@H](O)C[NH2+]Cc1cnn(C)n1)C(=O)c1ccn[nH]1 ZINC001403818360 889368512 /nfs/dbraw/zinc/36/85/12/889368512.db2.gz BQWGVMICOYPEFA-JTQLQIEISA-N 1 2 293.331 -1.239 20 0 CAADLO CC[N@H+](CCNC(=O)CCc1nnc[nH]1)CC(=O)NC ZINC001403850974 889379013 /nfs/dbraw/zinc/37/90/13/889379013.db2.gz SQOUCLFOEUVDIK-UHFFFAOYSA-N 1 2 282.348 -1.079 20 0 CAADLO CC[N@@H+](CCNC(=O)CCc1nnc[nH]1)CC(=O)NC ZINC001403850974 889379026 /nfs/dbraw/zinc/37/90/26/889379026.db2.gz SQOUCLFOEUVDIK-UHFFFAOYSA-N 1 2 282.348 -1.079 20 0 CAADLO COCC[N@H+](CCNC(=O)c1cnn(C)n1)[C@@H](C)C(N)=O ZINC001403974797 889388446 /nfs/dbraw/zinc/38/84/46/889388446.db2.gz RXVDCBOLSHDOPR-VIFPVBQESA-N 1 2 298.347 -1.633 20 0 CAADLO COCC[N@@H+](CCNC(=O)c1cnn(C)n1)[C@@H](C)C(N)=O ZINC001403974797 889388455 /nfs/dbraw/zinc/38/84/55/889388455.db2.gz RXVDCBOLSHDOPR-VIFPVBQESA-N 1 2 298.347 -1.633 20 0 CAADLO COCC[N@H+](CCNC(=O)c1cn[nH]c(=O)c1)CC(N)=O ZINC001403979749 889388522 /nfs/dbraw/zinc/38/85/22/889388522.db2.gz UDFZQROHXPRCJX-UHFFFAOYSA-N 1 2 297.315 -1.654 20 0 CAADLO COCC[N@@H+](CCNC(=O)c1cn[nH]c(=O)c1)CC(N)=O ZINC001403979749 889388536 /nfs/dbraw/zinc/38/85/36/889388536.db2.gz UDFZQROHXPRCJX-UHFFFAOYSA-N 1 2 297.315 -1.654 20 0 CAADLO COCC[N@H+](CCNC(=O)[C@H]1CCC(=O)N1)CC(N)=O ZINC001403968456 889392644 /nfs/dbraw/zinc/39/26/44/889392644.db2.gz GJLBNQWJVXRIKH-SECBINFHSA-N 1 2 286.332 -2.185 20 0 CAADLO COCC[N@@H+](CCNC(=O)[C@H]1CCC(=O)N1)CC(N)=O ZINC001403968456 889392657 /nfs/dbraw/zinc/39/26/57/889392657.db2.gz GJLBNQWJVXRIKH-SECBINFHSA-N 1 2 286.332 -2.185 20 0 CAADLO COCC[N@H+](CCNC(=O)c1cocn1)CC(N)=O ZINC001403974134 889392868 /nfs/dbraw/zinc/39/28/68/889392868.db2.gz QDYSDEDVYHBJGE-UHFFFAOYSA-N 1 2 270.289 -1.162 20 0 CAADLO COCC[N@@H+](CCNC(=O)c1cocn1)CC(N)=O ZINC001403974134 889392875 /nfs/dbraw/zinc/39/28/75/889392875.db2.gz QDYSDEDVYHBJGE-UHFFFAOYSA-N 1 2 270.289 -1.162 20 0 CAADLO CNC(=O)CN1CC[NH+](CCN(C)C(=O)COC)CC1 ZINC001404541081 889407567 /nfs/dbraw/zinc/40/75/67/889407567.db2.gz FTJKTRJBBUPVIT-UHFFFAOYSA-N 1 2 286.376 -1.545 20 0 CAADLO CN(CC[NH+]1CCN(CC(N)=O)CC1)C(=O)[C@@H]1CCOC1 ZINC001404544540 889408477 /nfs/dbraw/zinc/40/84/77/889408477.db2.gz YSXSVPCAIYTBJT-GFCCVEGCSA-N 1 2 298.387 -1.416 20 0 CAADLO CN(CC[NH+]1CCN(CC(N)=O)CC1)C(=O)[C@@H]1CCCO1 ZINC001404535057 889409788 /nfs/dbraw/zinc/40/97/88/889409788.db2.gz VNMDVXNSLSNZRD-LBPRGKRZSA-N 1 2 298.387 -1.273 20 0 CAADLO CNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)[C@H](COC)OC)C1 ZINC001404668782 889410825 /nfs/dbraw/zinc/41/08/25/889410825.db2.gz ONFXMFFXRYTIPC-MNOVXSKESA-N 1 2 287.360 -1.026 20 0 CAADLO CNC(=O)C[N@H+]1CCC[C@@H](NC(=O)[C@H](COC)OC)C1 ZINC001404668782 889410835 /nfs/dbraw/zinc/41/08/35/889410835.db2.gz ONFXMFFXRYTIPC-MNOVXSKESA-N 1 2 287.360 -1.026 20 0 CAADLO CCC[C@@H](NC(N)=O)C(=O)N[C@H]1CCC[N@H+](CC(N)=O)C1 ZINC001404710237 889411651 /nfs/dbraw/zinc/41/16/51/889411651.db2.gz YKUJZWRDTUXQRO-VHSXEESVSA-N 1 2 299.375 -1.111 20 0 CAADLO CCC[C@@H](NC(N)=O)C(=O)N[C@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001404710237 889411662 /nfs/dbraw/zinc/41/16/62/889411662.db2.gz YKUJZWRDTUXQRO-VHSXEESVSA-N 1 2 299.375 -1.111 20 0 CAADLO CNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)CNC(=O)C2CC2)C1 ZINC001404668044 889412599 /nfs/dbraw/zinc/41/25/99/889412599.db2.gz DYPWUWAYGSBBAR-LLVKDONJSA-N 1 2 296.371 -1.161 20 0 CAADLO CNC(=O)C[N@H+]1CCC[C@@H](NC(=O)CNC(=O)C2CC2)C1 ZINC001404668044 889412611 /nfs/dbraw/zinc/41/26/11/889412611.db2.gz DYPWUWAYGSBBAR-LLVKDONJSA-N 1 2 296.371 -1.161 20 0 CAADLO COC[C@H](O)C[NH+]1CC(NC(=O)[C@@H]2CCN(C)C(=O)C2)C1 ZINC001404786977 889413729 /nfs/dbraw/zinc/41/37/29/889413729.db2.gz RLLBTTOEMCCZEM-ZYHUDNBSSA-N 1 2 299.371 -1.338 20 0 CAADLO NS(=O)(=O)CCCC(=O)NC1C[NH+](CCCO)C1 ZINC001404803390 889415454 /nfs/dbraw/zinc/41/54/54/889415454.db2.gz DLPFFUQENASQMD-UHFFFAOYSA-N 1 2 279.362 -1.762 20 0 CAADLO COC[C@H](O)C[NH+]1CC(NC(=O)C[C@H]2CCNC2=O)C1 ZINC001404767495 889415467 /nfs/dbraw/zinc/41/54/67/889415467.db2.gz HJJBABVCOXWQSI-MWLCHTKSSA-N 1 2 285.344 -1.680 20 0 CAADLO COC[C@H](O)C[NH+]1CC(NC(=O)C[C@@H]2CCNC2=O)C1 ZINC001404767484 889415684 /nfs/dbraw/zinc/41/56/84/889415684.db2.gz HJJBABVCOXWQSI-GXSJLCMTSA-N 1 2 285.344 -1.680 20 0 CAADLO COC[C@H](O)C[NH+]1CC(NC(=O)C[C@H]2CCC(=O)N2)C1 ZINC001404808044 889415836 /nfs/dbraw/zinc/41/58/36/889415836.db2.gz GAZYYQQXWLBWAK-MWLCHTKSSA-N 1 2 285.344 -1.537 20 0 CAADLO COCCC(=O)NCC1C[NH+](CC(=O)NC(N)=O)C1 ZINC001404850601 889417221 /nfs/dbraw/zinc/41/72/21/889417221.db2.gz FMRRLGUZZISZRS-UHFFFAOYSA-N 1 2 272.305 -1.734 20 0 CAADLO CCNC(=O)CN1CC(NC(=O)Cc2c[nH+]cn2C)C1 ZINC001404830405 889417452 /nfs/dbraw/zinc/41/74/52/889417452.db2.gz WQWAGHSRJUXVIK-UHFFFAOYSA-N 1 2 279.344 -1.101 20 0 CAADLO COC[C@H](O)C[NH+]1CC(NC(=O)c2cncc(OC)n2)C1 ZINC001404813364 889417529 /nfs/dbraw/zinc/41/75/29/889417529.db2.gz XCIDEGPPWIAUSR-SNVBAGLBSA-N 1 2 296.327 -1.094 20 0 CAADLO C[C@H](NC(N)=O)C(=O)NCC1C[NH+]([C@H]2CCNC2=O)C1 ZINC001404871990 889417871 /nfs/dbraw/zinc/41/78/71/889417871.db2.gz ZLEFIMGGNZKVSC-CBAPKCEASA-N 1 2 283.332 -2.020 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(NC(=O)CCc2cn(C)nn2)C1 ZINC001404865050 889418190 /nfs/dbraw/zinc/41/81/90/889418190.db2.gz OIRBRKIYEFSPTC-LBPRGKRZSA-N 1 2 297.359 -1.445 20 0 CAADLO CC(=O)N(C)CC(=O)NCC1C[NH+]([C@@H](C)C(N)=O)C1 ZINC001404860335 889418497 /nfs/dbraw/zinc/41/84/97/889418497.db2.gz SDGDESFOYCWRGM-QMMMGPOBSA-N 1 2 270.333 -1.614 20 0 CAADLO COC[C@H](O)C[NH+]1CC(NC(=O)c2cc(C(N)=O)c[nH]2)C1 ZINC001404820356 889418655 /nfs/dbraw/zinc/41/86/55/889418655.db2.gz IHGAJBKAEMMGRD-SNVBAGLBSA-N 1 2 296.327 -1.465 20 0 CAADLO C[C@@H](O)C[NH+]1CC(NC(=O)CNC(=O)c2ccccn2)C1 ZINC001404843237 889418734 /nfs/dbraw/zinc/41/87/34/889418734.db2.gz MDRGKBNELKGECE-SNVBAGLBSA-N 1 2 292.339 -1.007 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(NC(=O)c2cc(C(N)=O)c[nH]2)C1 ZINC001404820351 889418850 /nfs/dbraw/zinc/41/88/50/889418850.db2.gz IHGAJBKAEMMGRD-JTQLQIEISA-N 1 2 296.327 -1.465 20 0 CAADLO CCNC(=O)C[NH+]1CC(CNC(=O)CNC(=O)OC)C1 ZINC001404859258 889418995 /nfs/dbraw/zinc/41/89/95/889418995.db2.gz QQJXTSPARJANTE-UHFFFAOYSA-N 1 2 286.332 -1.474 20 0 CAADLO COC[C@H](O)C[NH+]1CC(NC(=O)CCNC(N)=O)C1 ZINC001404844423 889419179 /nfs/dbraw/zinc/41/91/79/889419179.db2.gz REUSNFHLDHXESL-SECBINFHSA-N 1 2 274.321 -2.148 20 0 CAADLO CC(=O)N[C@@H](CC(=O)NC1C[NH+](C[C@H](C)O)C1)C(N)=O ZINC001404813287 889419215 /nfs/dbraw/zinc/41/92/15/889419215.db2.gz WHYOHPUGKSFTDS-XVKPBYJWSA-N 1 2 286.332 -2.452 20 0 CAADLO COC(=O)NCC(=O)NCC1C[NH+]([C@@H]2CCNC2=O)C1 ZINC001404851572 889419251 /nfs/dbraw/zinc/41/92/51/889419251.db2.gz DWHVEQZSFJEHKF-SECBINFHSA-N 1 2 284.316 -1.721 20 0 CAADLO NC(=O)NC(=O)C[NH+]1CC(CNC(=O)c2nccs2)C1 ZINC001404932945 889420318 /nfs/dbraw/zinc/42/03/18/889420318.db2.gz QNKLEZRXLGEBIM-UHFFFAOYSA-N 1 2 297.340 -1.000 20 0 CAADLO CCN(C)C(=O)C[NH+]1CC(CNC(=O)c2cnn(C)n2)C1 ZINC001404910397 889420582 /nfs/dbraw/zinc/42/05/82/889420582.db2.gz MUNXFVXWEHOAJS-UHFFFAOYSA-N 1 2 294.359 -1.045 20 0 CAADLO CCNC(=O)C[NH+]1CC(CNC(=O)C[C@@H]2CCC(=O)N2)C1 ZINC001404907744 889420643 /nfs/dbraw/zinc/42/06/43/889420643.db2.gz DPQOBPWYGXEDGS-NSHDSACASA-N 1 2 296.371 -1.161 20 0 CAADLO Cc1nocc1C(=O)NCC1C[NH+](CC(=O)NC(N)=O)C1 ZINC001404908733 889421577 /nfs/dbraw/zinc/42/15/77/889421577.db2.gz SUJRYJKFFYXRRF-UHFFFAOYSA-N 1 2 295.299 -1.160 20 0 CAADLO NC(=O)NC(=O)C[NH+]1CC(CNC(=O)[C@H]2CCC(=O)N2)C1 ZINC001404873084 889421502 /nfs/dbraw/zinc/42/15/02/889421502.db2.gz HYFYQXBTRVOCAI-MRVPVSSYSA-N 1 2 297.315 -2.492 20 0 CAADLO O=C(Cc1ncc[nH]1)NCC1C[NH+]([C@H]2CCNC2=O)C1 ZINC001404933872 889421590 /nfs/dbraw/zinc/42/15/90/889421590.db2.gz RRJOTLGFOTWQLG-JTQLQIEISA-N 1 2 277.328 -1.111 20 0 CAADLO CC[C@@H](OC)C(=O)NCC1C[NH+](CC(=O)NC(N)=O)C1 ZINC001404879715 889421693 /nfs/dbraw/zinc/42/16/93/889421693.db2.gz SVJZAMAWJWXCID-SECBINFHSA-N 1 2 286.332 -1.346 20 0 CAADLO C[C@H](O)C[NH+]1CC(CNC(=O)[C@H](C)S(C)(=O)=O)C1 ZINC001404885847 889421943 /nfs/dbraw/zinc/42/19/43/889421943.db2.gz CQFQTTFBVDRYCU-IUCAKERBSA-N 1 2 278.374 -1.152 20 0 CAADLO NC(=O)C[NH+]1CC(CNC(=O)COc2cccnc2)C1 ZINC001404913171 889421989 /nfs/dbraw/zinc/42/19/89/889421989.db2.gz UIHJGOHQHFHDFD-UHFFFAOYSA-N 1 2 278.312 -1.006 20 0 CAADLO C[C@@H](CC(N)=O)C(=O)NCC1C[NH+]([C@H]2CCNC2=O)C1 ZINC001404898468 889422045 /nfs/dbraw/zinc/42/20/45/889422045.db2.gz IKJQXQYEDDQDHT-WPRPVWTQSA-N 1 2 282.344 -1.566 20 0 CAADLO CC[C@@H](C(=O)NCC1C[NH+](CC(N)=O)C1)N1CCCC1=O ZINC001404927255 889422073 /nfs/dbraw/zinc/42/20/73/889422073.db2.gz HIDFVGDJJACIIZ-NSHDSACASA-N 1 2 296.371 -1.079 20 0 CAADLO NC(=O)C[NH+]1CC(CNC(=O)CCc2cncnc2)C1 ZINC001404892344 889422310 /nfs/dbraw/zinc/42/23/10/889422310.db2.gz PNNKFJIZPKRISR-UHFFFAOYSA-N 1 2 277.328 -1.058 20 0 CAADLO CC(C)OCC(=O)NCC1C[NH+](CC(=O)NC(N)=O)C1 ZINC001404879835 889422473 /nfs/dbraw/zinc/42/24/73/889422473.db2.gz UDFABYAKXDOURW-UHFFFAOYSA-N 1 2 286.332 -1.346 20 0 CAADLO CS(=O)(=O)NCCC(=O)N[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001405005565 889423806 /nfs/dbraw/zinc/42/38/06/889423806.db2.gz YJSPSOPRQPCDDZ-QMMMGPOBSA-N 1 2 292.361 -2.399 20 0 CAADLO CS(=O)(=O)NCCC(=O)N[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001405005565 889423809 /nfs/dbraw/zinc/42/38/09/889423809.db2.gz YJSPSOPRQPCDDZ-QMMMGPOBSA-N 1 2 292.361 -2.399 20 0 CAADLO CCO[C@@H](C)C(=O)N[C@@H]1CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001405056246 889424266 /nfs/dbraw/zinc/42/42/66/889424266.db2.gz PJZQGVWRKFAIKA-DTWKUNHWSA-N 1 2 286.332 -1.203 20 0 CAADLO CCO[C@@H](C)C(=O)N[C@@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001405056246 889424274 /nfs/dbraw/zinc/42/42/74/889424274.db2.gz PJZQGVWRKFAIKA-DTWKUNHWSA-N 1 2 286.332 -1.203 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H](C)NC(C)=O)C1 ZINC001404989041 889425150 /nfs/dbraw/zinc/42/51/50/889425150.db2.gz ZQMONSCAMPKHBF-WPRPVWTQSA-N 1 2 270.333 -1.553 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@H](C)NC(C)=O)C1 ZINC001404989041 889425161 /nfs/dbraw/zinc/42/51/61/889425161.db2.gz ZQMONSCAMPKHBF-WPRPVWTQSA-N 1 2 270.333 -1.553 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@H](C)CC(N)=O)C1 ZINC001405064845 889425184 /nfs/dbraw/zinc/42/51/84/889425184.db2.gz DVFYPJFXFLAABS-RKDXNWHRSA-N 1 2 270.333 -1.566 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@H](C)CC(N)=O)C1 ZINC001405064845 889425192 /nfs/dbraw/zinc/42/51/92/889425192.db2.gz DVFYPJFXFLAABS-RKDXNWHRSA-N 1 2 270.333 -1.566 20 0 CAADLO CCC[C@@H](NC(N)=O)C(=O)N[C@H]1CC[N@H+](CC(=O)NC)C1 ZINC001405033160 889425525 /nfs/dbraw/zinc/42/55/25/889425525.db2.gz XIKISPBNXPVSGW-VHSXEESVSA-N 1 2 299.375 -1.240 20 0 CAADLO CCC[C@@H](NC(N)=O)C(=O)N[C@H]1CC[N@@H+](CC(=O)NC)C1 ZINC001405033160 889425530 /nfs/dbraw/zinc/42/55/30/889425530.db2.gz XIKISPBNXPVSGW-VHSXEESVSA-N 1 2 299.375 -1.240 20 0 CAADLO CCCNC(=O)CCC(=O)N[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001405080033 889425935 /nfs/dbraw/zinc/42/59/35/889425935.db2.gz BWNWCGFKXVWWCD-SNVBAGLBSA-N 1 2 284.360 -1.031 20 0 CAADLO CCCNC(=O)CCC(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001405080033 889425943 /nfs/dbraw/zinc/42/59/43/889425943.db2.gz BWNWCGFKXVWWCD-SNVBAGLBSA-N 1 2 284.360 -1.031 20 0 CAADLO Cn1ccc(C(=O)N[C@H]2CC[N@H+](CC(=O)NC(N)=O)C2)n1 ZINC001405038110 889426108 /nfs/dbraw/zinc/42/61/08/889426108.db2.gz ALIMNPIANMTAJG-QMMMGPOBSA-N 1 2 294.315 -1.581 20 0 CAADLO Cn1ccc(C(=O)N[C@H]2CC[N@@H+](CC(=O)NC(N)=O)C2)n1 ZINC001405038110 889426114 /nfs/dbraw/zinc/42/61/14/889426114.db2.gz ALIMNPIANMTAJG-QMMMGPOBSA-N 1 2 294.315 -1.581 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@@H](C)CC(N)=O)C1 ZINC001405064844 889426296 /nfs/dbraw/zinc/42/62/96/889426296.db2.gz DVFYPJFXFLAABS-DTWKUNHWSA-N 1 2 270.333 -1.566 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@@H](C)CC(N)=O)C1 ZINC001405064844 889426301 /nfs/dbraw/zinc/42/63/01/889426301.db2.gz DVFYPJFXFLAABS-DTWKUNHWSA-N 1 2 270.333 -1.566 20 0 CAADLO NC(=O)NC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cn2cccn2)C1 ZINC001405040678 889426395 /nfs/dbraw/zinc/42/63/95/889426395.db2.gz OSXNRVNPZCEKEM-SECBINFHSA-N 1 2 294.315 -1.732 20 0 CAADLO NC(=O)NC(=O)C[N@H+]1CC[C@@H](NC(=O)Cn2cccn2)C1 ZINC001405040678 889426398 /nfs/dbraw/zinc/42/63/98/889426398.db2.gz OSXNRVNPZCEKEM-SECBINFHSA-N 1 2 294.315 -1.732 20 0 CAADLO COCC(=O)NC[C@@H](CO)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001405188051 889428223 /nfs/dbraw/zinc/42/82/23/889428223.db2.gz ILVXUMUBKONOFR-IVZWLZJFSA-N 1 2 296.327 -1.247 20 0 CAADLO COCC(=O)NC[C@@H](CO)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001405188051 889428229 /nfs/dbraw/zinc/42/82/29/889428229.db2.gz ILVXUMUBKONOFR-IVZWLZJFSA-N 1 2 296.327 -1.247 20 0 CAADLO COCC(=O)NC[C@@H](CO)NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001405187606 889428553 /nfs/dbraw/zinc/42/85/53/889428553.db2.gz HYOGVZRYEAGHEW-KOLCDFICSA-N 1 2 298.343 -1.172 20 0 CAADLO COCC(=O)NC[C@@H](CO)NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001405187606 889428560 /nfs/dbraw/zinc/42/85/60/889428560.db2.gz HYOGVZRYEAGHEW-KOLCDFICSA-N 1 2 298.343 -1.172 20 0 CAADLO COCC(=O)NC[C@H](CO)NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001405187619 889428751 /nfs/dbraw/zinc/42/87/51/889428751.db2.gz HYOGVZRYEAGHEW-MWLCHTKSSA-N 1 2 298.343 -1.172 20 0 CAADLO COCC(=O)NC[C@H](CO)NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001405187619 889428759 /nfs/dbraw/zinc/42/87/59/889428759.db2.gz HYOGVZRYEAGHEW-MWLCHTKSSA-N 1 2 298.343 -1.172 20 0 CAADLO O=C(Cc1c[nH]c[nH+]1)N[C@H](CO)CNC(=O)C(F)F ZINC001405193068 889431383 /nfs/dbraw/zinc/43/13/83/889431383.db2.gz RTOCWNIDMWOWNG-ZETCQYMHSA-N 1 2 276.243 -1.189 20 0 CAADLO COCC(=O)NC[C@@H](CO)NC(=O)CCc1[nH+]ccn1C ZINC001405203775 889434738 /nfs/dbraw/zinc/43/47/38/889434738.db2.gz NWHQDRNEWXBYKT-JTQLQIEISA-N 1 2 298.343 -1.408 20 0 CAADLO O=C(Cn1cc[nH+]c1)N[C@H](CO)CNC(=O)[C@@H]1CCOC1 ZINC001405229892 889439212 /nfs/dbraw/zinc/43/92/12/889439212.db2.gz PMJWXJJENRQTSS-MNOVXSKESA-N 1 2 296.327 -1.487 20 0 CAADLO CC(=O)NCC(=O)N[C@@H](CO)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001405390917 889455465 /nfs/dbraw/zinc/45/54/65/889455465.db2.gz AFKAAVHVHVLDMS-SNVBAGLBSA-N 1 2 297.315 -2.318 20 0 CAADLO CC[C@H](OC)C(=O)N[C@H](CO)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001405388713 889456135 /nfs/dbraw/zinc/45/61/35/889456135.db2.gz MIVRXWBGDOZQDS-UWVGGRQHSA-N 1 2 298.343 -1.030 20 0 CAADLO CO[C@@H](C)C(=O)N(C)C[C@@H](O)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001405580326 889462718 /nfs/dbraw/zinc/46/27/18/889462718.db2.gz JWDBXEJUQVKSRC-UWVGGRQHSA-N 1 2 298.343 -1.077 20 0 CAADLO COCCC(=O)NC[C@H](O)CN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001405648765 889465604 /nfs/dbraw/zinc/46/56/04/889465604.db2.gz IAIZIMOOOOVXBT-NSHDSACASA-N 1 2 298.343 -1.076 20 0 CAADLO CC(=O)N(C)CC(=O)N1CCC2(C[NH+](CC(N)=O)C2)CC1 ZINC001405776983 889466431 /nfs/dbraw/zinc/46/64/31/889466431.db2.gz AEYBFMTZCKHQOD-UHFFFAOYSA-N 1 2 296.371 -1.126 20 0 CAADLO NC(=O)CCCC(=O)NC[C@H]1C[N@H+](CCO)CCO1 ZINC001405740483 889466746 /nfs/dbraw/zinc/46/67/46/889466746.db2.gz PJPOTGXHXRQCJW-JTQLQIEISA-N 1 2 273.333 -1.549 20 0 CAADLO NC(=O)CCCC(=O)NC[C@H]1C[N@@H+](CCO)CCO1 ZINC001405740483 889466756 /nfs/dbraw/zinc/46/67/56/889466756.db2.gz PJPOTGXHXRQCJW-JTQLQIEISA-N 1 2 273.333 -1.549 20 0 CAADLO Cc1nonc1CC(=O)NC[C@@H]1C[N@H+](CCO)CCO1 ZINC001405739179 889467515 /nfs/dbraw/zinc/46/75/15/889467515.db2.gz KSQYEJPOAWNGDC-SNVBAGLBSA-N 1 2 284.316 -1.270 20 0 CAADLO Cc1nonc1CC(=O)NC[C@@H]1C[N@@H+](CCO)CCO1 ZINC001405739179 889467525 /nfs/dbraw/zinc/46/75/25/889467525.db2.gz KSQYEJPOAWNGDC-SNVBAGLBSA-N 1 2 284.316 -1.270 20 0 CAADLO Cn1cncc1CC(=O)NC[C@@H]1C[N@H+](CCO)CCO1 ZINC001405741106 889467715 /nfs/dbraw/zinc/46/77/15/889467715.db2.gz OFDGSQVXZAHSJD-GFCCVEGCSA-N 1 2 282.344 -1.228 20 0 CAADLO Cn1cncc1CC(=O)NC[C@@H]1C[N@@H+](CCO)CCO1 ZINC001405741106 889467725 /nfs/dbraw/zinc/46/77/25/889467725.db2.gz OFDGSQVXZAHSJD-GFCCVEGCSA-N 1 2 282.344 -1.228 20 0 CAADLO Cc1nonc1CC(=O)NC[C@H]1C[N@H+](CCO)CCO1 ZINC001405739176 889467837 /nfs/dbraw/zinc/46/78/37/889467837.db2.gz KSQYEJPOAWNGDC-JTQLQIEISA-N 1 2 284.316 -1.270 20 0 CAADLO Cc1nonc1CC(=O)NC[C@H]1C[N@@H+](CCO)CCO1 ZINC001405739176 889467845 /nfs/dbraw/zinc/46/78/45/889467845.db2.gz KSQYEJPOAWNGDC-JTQLQIEISA-N 1 2 284.316 -1.270 20 0 CAADLO Cn1cncc1CC(=O)NC[C@H]1C[N@H+](CCO)CCO1 ZINC001405741109 889468995 /nfs/dbraw/zinc/46/89/95/889468995.db2.gz OFDGSQVXZAHSJD-LBPRGKRZSA-N 1 2 282.344 -1.228 20 0 CAADLO Cn1cncc1CC(=O)NC[C@H]1C[N@@H+](CCO)CCO1 ZINC001405741109 889469001 /nfs/dbraw/zinc/46/90/01/889469001.db2.gz OFDGSQVXZAHSJD-LBPRGKRZSA-N 1 2 282.344 -1.228 20 0 CAADLO C[C@@H](CNC(=O)c1nnc[nH]1)C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001405700631 889469173 /nfs/dbraw/zinc/46/91/73/889469173.db2.gz HUYGXBYQEZNIBO-SSDOTTSWSA-N 1 2 294.319 -1.618 20 0 CAADLO C[C@@H](CNC(=O)c1ncn[nH]1)C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001405700631 889469178 /nfs/dbraw/zinc/46/91/78/889469178.db2.gz HUYGXBYQEZNIBO-SSDOTTSWSA-N 1 2 294.319 -1.618 20 0 CAADLO C[C@@H](CNC(=O)c1nc[nH]n1)C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001405700631 889469181 /nfs/dbraw/zinc/46/91/81/889469181.db2.gz HUYGXBYQEZNIBO-SSDOTTSWSA-N 1 2 294.319 -1.618 20 0 CAADLO COCC[N@@H+]1CCO[C@@H](CNC(=O)[C@H](C)NC(N)=O)C1 ZINC001405736211 889469266 /nfs/dbraw/zinc/46/92/66/889469266.db2.gz NHVMGTPNCMNNNH-UWVGGRQHSA-N 1 2 288.348 -1.493 20 0 CAADLO COCC[N@H+]1CCO[C@@H](CNC(=O)[C@H](C)NC(N)=O)C1 ZINC001405736211 889469269 /nfs/dbraw/zinc/46/92/69/889469269.db2.gz NHVMGTPNCMNNNH-UWVGGRQHSA-N 1 2 288.348 -1.493 20 0 CAADLO NC(=O)CCCC(=O)NC[C@@H]1C[N@H+](CCO)CCO1 ZINC001405740503 889469320 /nfs/dbraw/zinc/46/93/20/889469320.db2.gz PJPOTGXHXRQCJW-SNVBAGLBSA-N 1 2 273.333 -1.549 20 0 CAADLO NC(=O)CCCC(=O)NC[C@@H]1C[N@@H+](CCO)CCO1 ZINC001405740503 889469323 /nfs/dbraw/zinc/46/93/23/889469323.db2.gz PJPOTGXHXRQCJW-SNVBAGLBSA-N 1 2 273.333 -1.549 20 0 CAADLO CN(CC[N@H+](C)CC(N)=O)C(=O)[C@@H]1CCN(C)C(=O)C1 ZINC001406119976 889473306 /nfs/dbraw/zinc/47/33/06/889473306.db2.gz UBTHSYIXTOBOKN-SNVBAGLBSA-N 1 2 284.360 -1.270 20 0 CAADLO CN(CC[N@@H+](C)CC(N)=O)C(=O)[C@@H]1CCN(C)C(=O)C1 ZINC001406119976 889473315 /nfs/dbraw/zinc/47/33/15/889473315.db2.gz UBTHSYIXTOBOKN-SNVBAGLBSA-N 1 2 284.360 -1.270 20 0 CAADLO CNC(=O)C[N@H+](C)CCN(C)C(=O)CN1CCCNC1=O ZINC001406122228 889473531 /nfs/dbraw/zinc/47/35/31/889473531.db2.gz LYCLMHUNZWLKLN-UHFFFAOYSA-N 1 2 299.375 -1.462 20 0 CAADLO CNC(=O)C[N@@H+](C)CCN(C)C(=O)CN1CCCNC1=O ZINC001406122228 889473534 /nfs/dbraw/zinc/47/35/34/889473534.db2.gz LYCLMHUNZWLKLN-UHFFFAOYSA-N 1 2 299.375 -1.462 20 0 CAADLO CCNC(=O)C[N@H+](C)CCN(C)C(=O)Cn1ncnn1 ZINC001406100729 889474238 /nfs/dbraw/zinc/47/42/38/889474238.db2.gz HWXPXTOVQWTIMQ-UHFFFAOYSA-N 1 2 283.336 -1.801 20 0 CAADLO CCNC(=O)C[N@@H+](C)CCN(C)C(=O)Cn1ncnn1 ZINC001406100729 889474251 /nfs/dbraw/zinc/47/42/51/889474251.db2.gz HWXPXTOVQWTIMQ-UHFFFAOYSA-N 1 2 283.336 -1.801 20 0 CAADLO CN(CC[N@H+](C)CC(N)=O)C(=O)[C@]1(C)CCC(=O)NC1 ZINC001406115820 889474764 /nfs/dbraw/zinc/47/47/64/889474764.db2.gz LSHWRLPFMBBURF-CYBMUJFWSA-N 1 2 284.360 -1.222 20 0 CAADLO CN(CC[N@@H+](C)CC(N)=O)C(=O)[C@]1(C)CCC(=O)NC1 ZINC001406115820 889474771 /nfs/dbraw/zinc/47/47/71/889474771.db2.gz LSHWRLPFMBBURF-CYBMUJFWSA-N 1 2 284.360 -1.222 20 0 CAADLO COC[C@@H](O)C[N@H+](C)CCN(C)C(=O)CS(C)(=O)=O ZINC001406066488 889474939 /nfs/dbraw/zinc/47/49/39/889474939.db2.gz FEQBCQCXFHWVGE-JTQLQIEISA-N 1 2 296.389 -1.572 20 0 CAADLO COC[C@@H](O)C[N@@H+](C)CCN(C)C(=O)CS(C)(=O)=O ZINC001406066488 889474947 /nfs/dbraw/zinc/47/49/47/889474947.db2.gz FEQBCQCXFHWVGE-JTQLQIEISA-N 1 2 296.389 -1.572 20 0 CAADLO CN(CC[N@H+](C)Cc1nc(=O)n(C)[nH]1)C(=O)c1cn[nH]n1 ZINC001406120263 889475958 /nfs/dbraw/zinc/47/59/58/889475958.db2.gz IJIWVOKQURHMAB-UHFFFAOYSA-N 1 2 294.319 -1.570 20 0 CAADLO CN(CC[N@@H+](C)Cc1nc(=O)n(C)[nH]1)C(=O)c1cn[nH]n1 ZINC001406120263 889475963 /nfs/dbraw/zinc/47/59/63/889475963.db2.gz IJIWVOKQURHMAB-UHFFFAOYSA-N 1 2 294.319 -1.570 20 0 CAADLO CCNC(=O)C[N@H+](C)CCN(C)C(=O)C1CN(C(C)=O)C1 ZINC001406093463 889475972 /nfs/dbraw/zinc/47/59/72/889475972.db2.gz RDGMKOZFURTBJW-UHFFFAOYSA-N 1 2 298.387 -1.009 20 0 CAADLO CCNC(=O)C[N@@H+](C)CCN(C)C(=O)C1CN(C(C)=O)C1 ZINC001406093463 889475975 /nfs/dbraw/zinc/47/59/75/889475975.db2.gz RDGMKOZFURTBJW-UHFFFAOYSA-N 1 2 298.387 -1.009 20 0 CAADLO CC(=O)NCC(=O)NC[C@@H]([NH2+]Cc1nnn(C)n1)C(C)C ZINC001405991547 889476147 /nfs/dbraw/zinc/47/61/47/889476147.db2.gz QCPHLWCWLXPKHZ-SNVBAGLBSA-N 1 2 297.363 -1.423 20 0 CAADLO Cc1nnc(C[NH2+]C[C@H](O)CNC(=O)Cn2cccn2)o1 ZINC001406189997 889477475 /nfs/dbraw/zinc/47/74/75/889477475.db2.gz SROUHNOBVKOHOW-JTQLQIEISA-N 1 2 294.315 -1.159 20 0 CAADLO CO[C@H](C)C(=O)NC[C@@H](O)C[NH2+]Cc1nc(C)no1 ZINC001406197867 889482895 /nfs/dbraw/zinc/48/28/95/889482895.db2.gz AUYOVDANPUEBQV-APPZFPTMSA-N 1 2 272.305 -1.020 20 0 CAADLO Cc1noc(C[NH2+]C[C@H](O)CNC(=O)Cn2cccn2)n1 ZINC001406194631 889483113 /nfs/dbraw/zinc/48/31/13/889483113.db2.gz ZULKZSRCTQCPMG-JTQLQIEISA-N 1 2 294.315 -1.159 20 0 CAADLO NC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCCc2[nH]ncc21 ZINC001406208530 889485149 /nfs/dbraw/zinc/48/51/49/889485149.db2.gz GOEXOYOMZFZDGC-DTWKUNHWSA-N 1 2 295.343 -1.618 20 0 CAADLO Cc1n[nH]c(C(=O)NC[C@@H](O)C[NH2+]CC(=O)N(C)C)c1C ZINC001406227293 889493515 /nfs/dbraw/zinc/49/35/15/889493515.db2.gz XNYJBCGUODMVOJ-JTQLQIEISA-N 1 2 297.359 -1.205 20 0 CAADLO CCn1ccc(C[NH2+]C[C@H](O)CNC(=O)c2cnn[nH]2)n1 ZINC001406241888 889496214 /nfs/dbraw/zinc/49/62/14/889496214.db2.gz BYMRSCSAMNXCJI-JTQLQIEISA-N 1 2 293.331 -1.098 20 0 CAADLO Cc1nnc(C[NH2+]C[C@H](O)CNC(=O)[C@@H]2CCC(=O)N2)o1 ZINC001406287069 889507334 /nfs/dbraw/zinc/50/73/34/889507334.db2.gz MLUPOSXDUYDQGC-IUCAKERBSA-N 1 2 297.315 -1.777 20 0 CAADLO C[C@@H](C[NH2+]Cc1nc(=O)n(C)[nH]1)NC(=O)Cn1ccnc1 ZINC001406570096 889527821 /nfs/dbraw/zinc/52/78/21/889527821.db2.gz JCRFGUMWKHHWQQ-VIFPVBQESA-N 1 2 293.331 -1.401 20 0 CAADLO CC(=O)NCC(=O)N[C@H](C)C[N@H+](C)Cc1cnnn1C ZINC001406573319 889530445 /nfs/dbraw/zinc/53/04/45/889530445.db2.gz NHRHOUATUWRDRM-SECBINFHSA-N 1 2 282.348 -1.112 20 0 CAADLO CC(=O)NCC(=O)N[C@H](C)C[N@@H+](C)Cc1cnnn1C ZINC001406573319 889530460 /nfs/dbraw/zinc/53/04/60/889530460.db2.gz NHRHOUATUWRDRM-SECBINFHSA-N 1 2 282.348 -1.112 20 0 CAADLO COc1c[nH]c(C(=O)N[C@H](C)C[N@H+](C)CC(N)=O)cc1=O ZINC001406632710 889533988 /nfs/dbraw/zinc/53/39/88/889533988.db2.gz UUUOXVORXSOQLC-MRVPVSSYSA-N 1 2 296.327 -1.081 20 0 CAADLO COc1c[nH]c(C(=O)N[C@H](C)C[N@@H+](C)CC(N)=O)cc1=O ZINC001406632710 889533996 /nfs/dbraw/zinc/53/39/96/889533996.db2.gz UUUOXVORXSOQLC-MRVPVSSYSA-N 1 2 296.327 -1.081 20 0 CAADLO COC(=O)NCC(=O)NC[C@H]1CC[N@@H+]1CC(=O)N(C)C ZINC001406823612 889536467 /nfs/dbraw/zinc/53/64/67/889536467.db2.gz TXXOXADUXWJVMM-SECBINFHSA-N 1 2 286.332 -1.379 20 0 CAADLO COC(=O)NCC(=O)NC[C@H]1CC[N@H+]1CC(=O)N(C)C ZINC001406823612 889536478 /nfs/dbraw/zinc/53/64/78/889536478.db2.gz TXXOXADUXWJVMM-SECBINFHSA-N 1 2 286.332 -1.379 20 0 CAADLO CCN(C)C(=O)C[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1COC(=O)N1 ZINC001406826690 889536764 /nfs/dbraw/zinc/53/67/64/889536764.db2.gz DESZHYAATPVOEF-UWVGGRQHSA-N 1 2 298.343 -1.236 20 0 CAADLO CCN(C)C(=O)C[N@H+]1CC[C@H]1CNC(=O)[C@@H]1COC(=O)N1 ZINC001406826690 889536777 /nfs/dbraw/zinc/53/67/77/889536777.db2.gz DESZHYAATPVOEF-UWVGGRQHSA-N 1 2 298.343 -1.236 20 0 CAADLO COCC(=O)NC[C@@H]1CC[N@@H+]1CCN(C)S(C)(=O)=O ZINC001406818287 889537163 /nfs/dbraw/zinc/53/71/63/889537163.db2.gz XIJCKFGIFKUUDO-JTQLQIEISA-N 1 2 293.389 -1.285 20 0 CAADLO COCC(=O)NC[C@@H]1CC[N@H+]1CCN(C)S(C)(=O)=O ZINC001406818287 889537166 /nfs/dbraw/zinc/53/71/66/889537166.db2.gz XIJCKFGIFKUUDO-JTQLQIEISA-N 1 2 293.389 -1.285 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+]1CC[C@H]1CNC(=O)CNC(=O)OC ZINC001406821230 889539125 /nfs/dbraw/zinc/53/91/25/889539125.db2.gz PJTLRQZHRXWYOT-IUCAKERBSA-N 1 2 286.332 -1.333 20 0 CAADLO CNC(=O)[C@H](C)[N@H+]1CC[C@H]1CNC(=O)CNC(=O)OC ZINC001406821230 889539136 /nfs/dbraw/zinc/53/91/36/889539136.db2.gz PJTLRQZHRXWYOT-IUCAKERBSA-N 1 2 286.332 -1.333 20 0 CAADLO CNC(=O)NCC(=O)NC[C@@H]1CC[N@@H+]1CC(=O)N1CCC1 ZINC001406871549 889540716 /nfs/dbraw/zinc/54/07/16/889540716.db2.gz ZSHOMMNBANFBLY-JTQLQIEISA-N 1 2 297.359 -1.662 20 0 CAADLO CNC(=O)NCC(=O)NC[C@@H]1CC[N@H+]1CC(=O)N1CCC1 ZINC001406871549 889540725 /nfs/dbraw/zinc/54/07/25/889540725.db2.gz ZSHOMMNBANFBLY-JTQLQIEISA-N 1 2 297.359 -1.662 20 0 CAADLO O=C(CN1CCOCC1)NC[C@H]1CC[N@@H+]1[C@@H]1CCNC1=O ZINC001406845071 889541542 /nfs/dbraw/zinc/54/15/42/889541542.db2.gz JXBBZWKRCZYMGJ-VXGBXAGGSA-N 1 2 296.371 -1.602 20 0 CAADLO O=C(CN1CCOCC1)NC[C@H]1CC[N@H+]1[C@@H]1CCNC1=O ZINC001406845071 889541552 /nfs/dbraw/zinc/54/15/52/889541552.db2.gz JXBBZWKRCZYMGJ-VXGBXAGGSA-N 1 2 296.371 -1.602 20 0 CAADLO CNC(=O)NCC(=O)NC[C@@H]1CC[N@@H+]1[C@@H]1CCCNC1=O ZINC001406849315 889541922 /nfs/dbraw/zinc/54/19/22/889541922.db2.gz GPALIAWJSXQCAI-VHSXEESVSA-N 1 2 297.359 -1.616 20 0 CAADLO CNC(=O)NCC(=O)NC[C@@H]1CC[N@H+]1[C@@H]1CCCNC1=O ZINC001406849315 889541938 /nfs/dbraw/zinc/54/19/38/889541938.db2.gz GPALIAWJSXQCAI-VHSXEESVSA-N 1 2 297.359 -1.616 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CC[C@@H]1CNC(=O)CCn1ccnn1 ZINC001406838069 889542396 /nfs/dbraw/zinc/54/23/96/889542396.db2.gz OECZZLKIPPGQJA-VHSXEESVSA-N 1 2 280.332 -1.268 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CC[C@@H]1CNC(=O)CCn1ccnn1 ZINC001406838069 889542403 /nfs/dbraw/zinc/54/24/03/889542403.db2.gz OECZZLKIPPGQJA-VHSXEESVSA-N 1 2 280.332 -1.268 20 0 CAADLO CNC(=O)NCC(=O)NC[C@@H]1CC[N@@H+]1[C@H]1CCCNC1=O ZINC001406849307 889542594 /nfs/dbraw/zinc/54/25/94/889542594.db2.gz GPALIAWJSXQCAI-UWVGGRQHSA-N 1 2 297.359 -1.616 20 0 CAADLO CNC(=O)NCC(=O)NC[C@@H]1CC[N@H+]1[C@H]1CCCNC1=O ZINC001406849307 889542599 /nfs/dbraw/zinc/54/25/99/889542599.db2.gz GPALIAWJSXQCAI-UWVGGRQHSA-N 1 2 297.359 -1.616 20 0 CAADLO O=C(CN1CCOCC1)NC[C@@H]1CC[N@@H+]1[C@H]1CCNC1=O ZINC001406845068 889542689 /nfs/dbraw/zinc/54/26/89/889542689.db2.gz JXBBZWKRCZYMGJ-RYUDHWBXSA-N 1 2 296.371 -1.602 20 0 CAADLO O=C(CN1CCOCC1)NC[C@@H]1CC[N@H+]1[C@H]1CCNC1=O ZINC001406845068 889542693 /nfs/dbraw/zinc/54/26/93/889542693.db2.gz JXBBZWKRCZYMGJ-RYUDHWBXSA-N 1 2 296.371 -1.602 20 0 CAADLO Cn1cnnc1C[NH2+]C1(CNC(=O)[C@H]2CCC(=O)N2)CC1 ZINC001406913164 889544249 /nfs/dbraw/zinc/54/42/49/889544249.db2.gz UBQIAVXNMCYKGC-SECBINFHSA-N 1 2 292.343 -1.168 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+]1CC[C@@H]1CNC(=O)CCNC(N)=O ZINC001406887722 889544346 /nfs/dbraw/zinc/54/43/46/889544346.db2.gz JYVNISOFTHCPKO-DTWKUNHWSA-N 1 2 285.348 -1.630 20 0 CAADLO CNC(=O)[C@H](C)[N@H+]1CC[C@@H]1CNC(=O)CCNC(N)=O ZINC001406887722 889544357 /nfs/dbraw/zinc/54/43/57/889544357.db2.gz JYVNISOFTHCPKO-DTWKUNHWSA-N 1 2 285.348 -1.630 20 0 CAADLO COC(=O)NCC(=O)NCC1([NH2+]Cc2nnnn2C)CC1 ZINC001406914143 889544598 /nfs/dbraw/zinc/54/45/98/889544598.db2.gz XYFVSYFDMTUCSY-UHFFFAOYSA-N 1 2 297.319 -1.696 20 0 CAADLO Cn1ncnc1C[NH2+]C1(CNC(=O)[C@@H]2COCCO2)CC1 ZINC001406898568 889545138 /nfs/dbraw/zinc/54/51/38/889545138.db2.gz AKPNJFJEMKPJRE-JTQLQIEISA-N 1 2 295.343 -1.031 20 0 CAADLO Cn1nnc(CN2CC[C@@H]2CNC(=O)Cn2cc[nH+]c2)n1 ZINC001406889498 889545608 /nfs/dbraw/zinc/54/56/08/889545608.db2.gz DRYMIOMMMAEBKJ-SNVBAGLBSA-N 1 2 290.331 -1.203 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+]1CC[C@H]1CNC(=O)CCNC(N)=O ZINC001406887720 889546142 /nfs/dbraw/zinc/54/61/42/889546142.db2.gz JYVNISOFTHCPKO-BDAKNGLRSA-N 1 2 285.348 -1.630 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+]1CC[C@H]1CNC(=O)CCNC(N)=O ZINC001406887720 889546152 /nfs/dbraw/zinc/54/61/52/889546152.db2.gz JYVNISOFTHCPKO-BDAKNGLRSA-N 1 2 285.348 -1.630 20 0 CAADLO Cn1nnc(CN2CC[C@H]2CNC(=O)Cn2cc[nH+]c2)n1 ZINC001406889493 889547165 /nfs/dbraw/zinc/54/71/65/889547165.db2.gz DRYMIOMMMAEBKJ-JTQLQIEISA-N 1 2 290.331 -1.203 20 0 CAADLO CNC(=O)C[NH2+]C1(CNC(=O)CCc2cnn[nH]2)CC1 ZINC001406967439 889550327 /nfs/dbraw/zinc/55/03/27/889550327.db2.gz VACMXMQFSUJLJR-UHFFFAOYSA-N 1 2 280.332 -1.278 20 0 CAADLO CNC(=O)NCC(=O)N(C)C1C[NH+](CCn2cncn2)C1 ZINC001407056015 889551717 /nfs/dbraw/zinc/55/17/17/889551717.db2.gz METTZRJPBAJOSY-UHFFFAOYSA-N 1 2 295.347 -1.650 20 0 CAADLO CN(C(=O)CNC(=O)c1ccncc1)C1C[NH+](CCO)C1 ZINC001407059600 889551850 /nfs/dbraw/zinc/55/18/50/889551850.db2.gz WSYURAVFVZXMMM-UHFFFAOYSA-N 1 2 292.339 -1.054 20 0 CAADLO C[C@@H]([NH2+]C[C@@H]1CCCN1C(=O)Cc1ncn[nH]1)C(N)=O ZINC001407108110 889552432 /nfs/dbraw/zinc/55/24/32/889552432.db2.gz WOBZVKAFZBAKEJ-BDAKNGLRSA-N 1 2 280.332 -1.198 20 0 CAADLO CN(C)S(=O)(=O)CCC(=O)N(C)C1C[NH+](CCO)C1 ZINC001407090474 889552456 /nfs/dbraw/zinc/55/24/56/889552456.db2.gz OYVNZBBTRRZCRF-UHFFFAOYSA-N 1 2 293.389 -1.597 20 0 CAADLO CNC(=O)C[NH2+]C[C@@]1(C)CCN(C(=O)Cc2ncn[nH]2)C1 ZINC001407231191 889554867 /nfs/dbraw/zinc/55/48/67/889554867.db2.gz HNHWJANUXXMJIA-CYBMUJFWSA-N 1 2 294.359 -1.079 20 0 CAADLO CC(=O)NCC(=O)NC[C@]1(O)CC[N@H+](Cc2ccon2)C1 ZINC001407314752 889557335 /nfs/dbraw/zinc/55/73/35/889557335.db2.gz IZOCPUIRUXTHDS-CYBMUJFWSA-N 1 2 296.327 -1.136 20 0 CAADLO CC(=O)NCC(=O)NC[C@]1(O)CC[N@@H+](Cc2ccon2)C1 ZINC001407314752 889557342 /nfs/dbraw/zinc/55/73/42/889557342.db2.gz IZOCPUIRUXTHDS-CYBMUJFWSA-N 1 2 296.327 -1.136 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)CCc2cn[nH]n2)C1 ZINC001407353779 889561028 /nfs/dbraw/zinc/56/10/28/889561028.db2.gz OXIAMUQUYUOCHJ-GFCCVEGCSA-N 1 2 296.331 -2.224 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)CCc2cn[nH]n2)C1 ZINC001407353779 889561036 /nfs/dbraw/zinc/56/10/36/889561036.db2.gz OXIAMUQUYUOCHJ-GFCCVEGCSA-N 1 2 296.331 -2.224 20 0 CAADLO CC(=O)NCC(=O)NCC1(O)C[NH+](C[C@@H]2CC[C@H](C)O2)C1 ZINC001407383092 889564571 /nfs/dbraw/zinc/56/45/71/889564571.db2.gz PKPNLTCQSSEEIR-JQWIXIFHSA-N 1 2 299.371 -1.147 20 0 CAADLO CC(=O)N[C@@H](C)C(=O)NCC1(O)C[NH+](C[C@H](C)O)C1 ZINC001407386055 889564913 /nfs/dbraw/zinc/56/49/13/889564913.db2.gz TYAAEOLPOKUORN-IUCAKERBSA-N 1 2 273.333 -1.945 20 0 CAADLO COC[C@H](C)[NH+]1CC(O)(CNC(=O)CN2CCCC2=O)C1 ZINC001407383208 889565699 /nfs/dbraw/zinc/56/56/99/889565699.db2.gz MHSVPXGRHBSCMJ-NSHDSACASA-N 1 2 299.371 -1.193 20 0 CAADLO O=C(Cc1nnc[nH]1)NC[C@@]1(O)CC[N@H+](CCF)C1 ZINC001407367175 889567010 /nfs/dbraw/zinc/56/70/10/889567010.db2.gz JVQRVZHWNZCAJV-NSHDSACASA-N 1 2 271.296 -1.130 20 0 CAADLO O=C(Cc1nnc[nH]1)NC[C@@]1(O)CC[N@@H+](CCF)C1 ZINC001407367175 889567020 /nfs/dbraw/zinc/56/70/20/889567020.db2.gz JVQRVZHWNZCAJV-NSHDSACASA-N 1 2 271.296 -1.130 20 0 CAADLO CCC(=O)NCC(=O)NCC1(O)C[NH+](C[C@@H](C)O)C1 ZINC001407396085 889568559 /nfs/dbraw/zinc/56/85/59/889568559.db2.gz FVOVKRRXZKLDGF-SECBINFHSA-N 1 2 273.333 -1.944 20 0 CAADLO CO[C@H](C(=O)NCC1(O)C[NH+](C[C@@H](C)O)C1)C1CC1 ZINC001407401729 889568384 /nfs/dbraw/zinc/56/83/84/889568384.db2.gz DCSYQWQVKHLUDG-KOLCDFICSA-N 1 2 272.345 -1.045 20 0 CAADLO CO[C@@H](C(=O)NCC1(O)C[NH+](C[C@H](C)O)C1)C1CC1 ZINC001407401725 889568447 /nfs/dbraw/zinc/56/84/47/889568447.db2.gz DCSYQWQVKHLUDG-GXSJLCMTSA-N 1 2 272.345 -1.045 20 0 CAADLO Cc1cnn(CC(=O)NCC2(O)C[NH+](C[C@@H](C)O)C2)c1 ZINC001407390759 889568504 /nfs/dbraw/zinc/56/85/04/889568504.db2.gz BDMLQSDKVSOAOY-LLVKDONJSA-N 1 2 282.344 -1.265 20 0 CAADLO Cc1cnn(CC(=O)NCC2(O)C[NH+](C[C@H](C)O)C2)c1 ZINC001407390761 889570431 /nfs/dbraw/zinc/57/04/31/889570431.db2.gz BDMLQSDKVSOAOY-NSHDSACASA-N 1 2 282.344 -1.265 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(O)(CNC(=O)c2cocn2)C1 ZINC001407398378 889570743 /nfs/dbraw/zinc/57/07/43/889570743.db2.gz LVCXKNDJAWLMDJ-VIFPVBQESA-N 1 2 285.300 -1.542 20 0 CAADLO CO[C@@H](C(=O)NCC1(O)C[NH+](C[C@@H](C)O)C1)C1CC1 ZINC001407401733 889570853 /nfs/dbraw/zinc/57/08/53/889570853.db2.gz DCSYQWQVKHLUDG-MWLCHTKSSA-N 1 2 272.345 -1.045 20 0 CAADLO CO[C@@H](C)C[NH+]1CC(O)(CNC(=O)c2ncn(C)n2)C1 ZINC001407403748 889572089 /nfs/dbraw/zinc/57/20/89/889572089.db2.gz HKCGPPNQGBGNHY-VIFPVBQESA-N 1 2 283.332 -1.374 20 0 CAADLO CO[C@H](C)C[NH+]1CC(O)(CNC(=O)[C@H]2CCC(=O)N2C)C1 ZINC001407421903 889572328 /nfs/dbraw/zinc/57/23/28/889572328.db2.gz QNCFQMBGWXBAMN-GHMZBOCLSA-N 1 2 299.371 -1.195 20 0 CAADLO COC[C@H](C)[NH+]1CC(O)(CNC(=O)[C@H]2COC(=O)N2)C1 ZINC001407404170 889572553 /nfs/dbraw/zinc/57/25/53/889572553.db2.gz NCEJBKBKCPGELP-DTWKUNHWSA-N 1 2 287.316 -1.707 20 0 CAADLO CO[C@@H](C)C[NH+]1CC(O)(CNC(=O)CCn2ccnn2)C1 ZINC001407404348 889572633 /nfs/dbraw/zinc/57/26/33/889572633.db2.gz HSXZNSKYFWVESB-NSHDSACASA-N 1 2 297.359 -1.134 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(O)(CNC(=O)c2ncc[nH]2)C1 ZINC001407407937 889573174 /nfs/dbraw/zinc/57/31/74/889573174.db2.gz VUSBVDPSIMNVDU-VIFPVBQESA-N 1 2 284.316 -1.807 20 0 CAADLO C[C@@H](O)C[NH+]1CC(O)(CNC(=O)c2cn[nH]c(=O)c2)C1 ZINC001407418338 889573523 /nfs/dbraw/zinc/57/35/23/889573523.db2.gz ZITNNFZCDNGJHT-MRVPVSSYSA-N 1 2 282.300 -1.661 20 0 CAADLO COC[C@@H](C)[NH+]1CC(O)(CNC(=O)[C@H]2CCC(=O)N2C)C1 ZINC001407418023 889573974 /nfs/dbraw/zinc/57/39/74/889573974.db2.gz CDILEFCPGASPEI-GHMZBOCLSA-N 1 2 299.371 -1.195 20 0 CAADLO Cc1nnc(CC(=O)NCC2(O)C[NH+](C[C@@H](C)O)C2)[nH]1 ZINC001407410568 889574244 /nfs/dbraw/zinc/57/42/44/889574244.db2.gz RTUJBKBEXSLXTC-MRVPVSSYSA-N 1 2 283.332 -1.801 20 0 CAADLO CCC[NH+]1CC(O)(CNC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001407472661 889575038 /nfs/dbraw/zinc/57/50/38/889575038.db2.gz GIXCCOLGOLRVJH-UHFFFAOYSA-N 1 2 296.331 -2.050 20 0 CAADLO CC(=O)NCC(=O)N[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001407456368 889575070 /nfs/dbraw/zinc/57/50/70/889575070.db2.gz YLNZFTIZRFJKCK-NSHDSACASA-N 1 2 293.327 -1.264 20 0 CAADLO CC[C@H](C[NH+]1CC(O)(CNC(=O)[C@H]2C[C@H]2C(N)=O)C1)OC ZINC001407424564 889575137 /nfs/dbraw/zinc/57/51/37/889575137.db2.gz DMXZXOAVRVFMFI-MXWKQRLJSA-N 1 2 299.371 -1.304 20 0 CAADLO COCC[N@@H+]1CCO[C@@H](CNC(=O)CNC(=O)C2CC2)C1 ZINC001407459266 889576344 /nfs/dbraw/zinc/57/63/44/889576344.db2.gz FZGXAGWWGPIQEC-LBPRGKRZSA-N 1 2 299.371 -1.024 20 0 CAADLO COCC[N@H+]1CCO[C@@H](CNC(=O)CNC(=O)C2CC2)C1 ZINC001407459266 889576350 /nfs/dbraw/zinc/57/63/50/889576350.db2.gz FZGXAGWWGPIQEC-LBPRGKRZSA-N 1 2 299.371 -1.024 20 0 CAADLO CN1C[C@@H](C(=O)NCC2(O)C[NH+](CCCF)C2)NC1=O ZINC001407426324 889577044 /nfs/dbraw/zinc/57/70/44/889577044.db2.gz BTUGZVCJYLFHBO-VIFPVBQESA-N 1 2 288.323 -1.468 20 0 CAADLO COC[C@H](OC)C(=O)NCC1(O)C[NH+](C[C@@H](C)OC)C1 ZINC001407431784 889577071 /nfs/dbraw/zinc/57/70/71/889577071.db2.gz XHGQMEPNPMCASL-MNOVXSKESA-N 1 2 290.360 -1.154 20 0 CAADLO C[C@H](CC(N)=O)C(=O)NCC1(O)C[NH+](CCCO)C1 ZINC001407430893 889577611 /nfs/dbraw/zinc/57/76/11/889577611.db2.gz KBHPADROUXQIOC-SECBINFHSA-N 1 2 273.333 -1.957 20 0 CAADLO C[C@]1(C(=O)NC[C@@H]2C[N@H+](CCO)CCO2)CCNC(=O)C1 ZINC001407492653 889579098 /nfs/dbraw/zinc/57/90/98/889579098.db2.gz NSUCRNLSLLDFGX-RISCZKNCSA-N 1 2 299.371 -1.288 20 0 CAADLO C[C@]1(C(=O)NC[C@@H]2C[N@@H+](CCO)CCO2)CCNC(=O)C1 ZINC001407492653 889579104 /nfs/dbraw/zinc/57/91/04/889579104.db2.gz NSUCRNLSLLDFGX-RISCZKNCSA-N 1 2 299.371 -1.288 20 0 CAADLO CCn1cc(CC(=O)NCC2(O)C[NH+](C[C@H](C)O)C2)cn1 ZINC001407488156 889579520 /nfs/dbraw/zinc/57/95/20/889579520.db2.gz MAXJPTCVGLJKBW-NSHDSACASA-N 1 2 296.371 -1.011 20 0 CAADLO O=C(C[C@H]1CCCC(=O)N1)NC[C@H]1C[N@H+](CCO)CCO1 ZINC001407495911 889579564 /nfs/dbraw/zinc/57/95/64/889579564.db2.gz SDPYXIKQIYUSKU-NEPJUHHUSA-N 1 2 299.371 -1.146 20 0 CAADLO O=C(C[C@H]1CCCC(=O)N1)NC[C@H]1C[N@@H+](CCO)CCO1 ZINC001407495911 889579570 /nfs/dbraw/zinc/57/95/70/889579570.db2.gz SDPYXIKQIYUSKU-NEPJUHHUSA-N 1 2 299.371 -1.146 20 0 CAADLO Cn1cnn(CC(=O)NC[C@H]2C[N@H+](CCO)CCO2)c1=O ZINC001407488583 889580272 /nfs/dbraw/zinc/58/02/72/889580272.db2.gz JRDLRVUSKZIRGQ-JTQLQIEISA-N 1 2 299.331 -2.609 20 0 CAADLO Cn1cnn(CC(=O)NC[C@H]2C[N@@H+](CCO)CCO2)c1=O ZINC001407488583 889580284 /nfs/dbraw/zinc/58/02/84/889580284.db2.gz JRDLRVUSKZIRGQ-JTQLQIEISA-N 1 2 299.331 -2.609 20 0 CAADLO CNC(=O)[C@H](C)N1CC(O)(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001407502252 889580566 /nfs/dbraw/zinc/58/05/66/889580566.db2.gz LTFMLPRYTWWMKW-JTQLQIEISA-N 1 2 295.343 -1.820 20 0 CAADLO O=C(C[C@@H]1CCCC(=O)N1)NC[C@@H]1C[N@H+](CCO)CCO1 ZINC001407495917 889580807 /nfs/dbraw/zinc/58/08/07/889580807.db2.gz SDPYXIKQIYUSKU-NWDGAFQWSA-N 1 2 299.371 -1.146 20 0 CAADLO O=C(C[C@@H]1CCCC(=O)N1)NC[C@@H]1C[N@@H+](CCO)CCO1 ZINC001407495917 889580820 /nfs/dbraw/zinc/58/08/20/889580820.db2.gz SDPYXIKQIYUSKU-NWDGAFQWSA-N 1 2 299.371 -1.146 20 0 CAADLO CNC(=O)C[N@@H+]1CCC[C@](CO)(NC(=O)CCOC)C1 ZINC001407587613 889582775 /nfs/dbraw/zinc/58/27/75/889582775.db2.gz PYCGYBJZKGKKOK-ZDUSSCGKSA-N 1 2 287.360 -1.288 20 0 CAADLO CNC(=O)C[N@H+]1CCC[C@](CO)(NC(=O)CCOC)C1 ZINC001407587613 889582784 /nfs/dbraw/zinc/58/27/84/889582784.db2.gz PYCGYBJZKGKKOK-ZDUSSCGKSA-N 1 2 287.360 -1.288 20 0 CAADLO CN1CC(C(=O)N[C@@]2(CO)CCC[N@H+](CCO)C2)=NC1=O ZINC001407643666 889582840 /nfs/dbraw/zinc/58/28/40/889582840.db2.gz CUAOFJBAJJBKTQ-ZDUSSCGKSA-N 1 2 298.343 -1.325 20 0 CAADLO CN1CC(C(=O)N[C@@]2(CO)CCC[N@@H+](CCO)C2)=NC1=O ZINC001407643666 889582846 /nfs/dbraw/zinc/58/28/46/889582846.db2.gz CUAOFJBAJJBKTQ-ZDUSSCGKSA-N 1 2 298.343 -1.325 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@](CO)(NC(=O)Cn2ncnn2)C1 ZINC001407604075 889582956 /nfs/dbraw/zinc/58/29/56/889582956.db2.gz LHLURCOCBUKIKO-NSHDSACASA-N 1 2 297.319 -2.899 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@](CO)(NC(=O)Cn2ncnn2)C1 ZINC001407604075 889582966 /nfs/dbraw/zinc/58/29/66/889582966.db2.gz LHLURCOCBUKIKO-NSHDSACASA-N 1 2 297.319 -2.899 20 0 CAADLO O=C(Cn1cnnn1)N[C@]1(CO)CCC[N@H+](CCF)C1 ZINC001407606717 889582992 /nfs/dbraw/zinc/58/29/92/889582992.db2.gz GADWFQSVYCVUOJ-LLVKDONJSA-N 1 2 286.311 -1.414 20 0 CAADLO O=C(Cn1cnnn1)N[C@]1(CO)CCC[N@@H+](CCF)C1 ZINC001407606717 889582998 /nfs/dbraw/zinc/58/29/98/889582998.db2.gz GADWFQSVYCVUOJ-LLVKDONJSA-N 1 2 286.311 -1.414 20 0 CAADLO CNC(=O)C[N@@H+]1CCC[C@@](CO)(NC(=O)CCOC)C1 ZINC001407587609 889583648 /nfs/dbraw/zinc/58/36/48/889583648.db2.gz PYCGYBJZKGKKOK-CYBMUJFWSA-N 1 2 287.360 -1.288 20 0 CAADLO CNC(=O)C[N@H+]1CCC[C@@](CO)(NC(=O)CCOC)C1 ZINC001407587609 889583658 /nfs/dbraw/zinc/58/36/58/889583658.db2.gz PYCGYBJZKGKKOK-CYBMUJFWSA-N 1 2 287.360 -1.288 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@@](CO)(NC(=O)Cn2ncnn2)C1 ZINC001407604068 889583950 /nfs/dbraw/zinc/58/39/50/889583950.db2.gz LHLURCOCBUKIKO-LLVKDONJSA-N 1 2 297.319 -2.899 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@@](CO)(NC(=O)Cn2ncnn2)C1 ZINC001407604068 889583959 /nfs/dbraw/zinc/58/39/59/889583959.db2.gz LHLURCOCBUKIKO-LLVKDONJSA-N 1 2 297.319 -2.899 20 0 CAADLO NC(=O)NCCC(=O)N[C@@]1(CO)CCC[N@H+](CCF)C1 ZINC001407631246 889584193 /nfs/dbraw/zinc/58/41/93/889584193.db2.gz IPZQOMYNZBHWNQ-LBPRGKRZSA-N 1 2 290.339 -1.043 20 0 CAADLO NC(=O)NCCC(=O)N[C@@]1(CO)CCC[N@@H+](CCF)C1 ZINC001407631246 889584203 /nfs/dbraw/zinc/58/42/03/889584203.db2.gz IPZQOMYNZBHWNQ-LBPRGKRZSA-N 1 2 290.339 -1.043 20 0 CAADLO CNC(=O)C[N@@H+]1CCC[C@@](CO)(NC(=O)[C@H](C)OC)C1 ZINC001407620254 889584960 /nfs/dbraw/zinc/58/49/60/889584960.db2.gz SYVQKLODOPGGSD-GXFFZTMASA-N 1 2 287.360 -1.290 20 0 CAADLO CNC(=O)C[N@H+]1CCC[C@@](CO)(NC(=O)[C@H](C)OC)C1 ZINC001407620254 889584969 /nfs/dbraw/zinc/58/49/69/889584969.db2.gz SYVQKLODOPGGSD-GXFFZTMASA-N 1 2 287.360 -1.290 20 0 CAADLO C[C@@H](O)C[N@@H+]1CCOC[C@H]1CNC(=O)CN1CCCC1=O ZINC001407728291 889586702 /nfs/dbraw/zinc/58/67/02/889586702.db2.gz VMNDVJPRSICHQG-VXGBXAGGSA-N 1 2 299.371 -1.193 20 0 CAADLO C[C@@H](O)C[N@H+]1CCOC[C@H]1CNC(=O)CN1CCCC1=O ZINC001407728291 889586712 /nfs/dbraw/zinc/58/67/12/889586712.db2.gz VMNDVJPRSICHQG-VXGBXAGGSA-N 1 2 299.371 -1.193 20 0 CAADLO O=C(C[C@@H]1CCNC1=O)NC[C@@H]1COCC[N@H+]1CCCO ZINC001407746389 889587313 /nfs/dbraw/zinc/58/73/13/889587313.db2.gz ZJIPWGDLIFSYAY-NWDGAFQWSA-N 1 2 299.371 -1.288 20 0 CAADLO O=C(C[C@@H]1CCNC1=O)NC[C@@H]1COCC[N@@H+]1CCCO ZINC001407746389 889587324 /nfs/dbraw/zinc/58/73/24/889587324.db2.gz ZJIPWGDLIFSYAY-NWDGAFQWSA-N 1 2 299.371 -1.288 20 0 CAADLO CC(=O)N(C)CC(=O)NC[C@H]1CCC2(C[NH+](CCO)C2)O1 ZINC001407990554 889594478 /nfs/dbraw/zinc/59/44/78/889594478.db2.gz YKPDKZHTGZBVDU-GFCCVEGCSA-N 1 2 299.371 -1.193 20 0 CAADLO C[C@@H](CNC(=O)Cn1cnnn1)NC(=O)Cn1cc[nH+]c1 ZINC001408072006 889601027 /nfs/dbraw/zinc/60/10/27/889601027.db2.gz QLLOZXLYZTVBMS-VIFPVBQESA-N 1 2 292.303 -1.809 20 0 CAADLO C[C@@H](C(N)=O)[NH+]1CCC(CO)(NC(=O)c2nnc[nH]2)CC1 ZINC001408275879 889606920 /nfs/dbraw/zinc/60/69/20/889606920.db2.gz LTTOSBRZFRZVMD-QMMMGPOBSA-N 1 2 296.331 -1.765 20 0 CAADLO C[C@H](CNC(=O)Cc1[nH]cc[nH+]1)NC(=O)Cn1ncnn1 ZINC001408292573 889607324 /nfs/dbraw/zinc/60/73/24/889607324.db2.gz IQAYACSQKLTPBJ-MRVPVSSYSA-N 1 2 292.303 -1.740 20 0 CAADLO NC(=O)C[NH+]1CCC(CO)(NC(=O)[C@@H]2CCCOC2)CC1 ZINC001408260139 889607814 /nfs/dbraw/zinc/60/78/14/889607814.db2.gz BQCBZZHFLULIAE-LLVKDONJSA-N 1 2 299.371 -1.159 20 0 CAADLO C[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)NC(=O)[C@H]1C[C@H]1C(N)=O ZINC001408361353 889610026 /nfs/dbraw/zinc/61/00/26/889610026.db2.gz XWGQXOWIJKXQAQ-SFGNSQDASA-N 1 2 293.327 -1.306 20 0 CAADLO CC(=O)NCC(=O)NCCN(C)C(=O)Cn1cc[nH+]c1 ZINC001408513298 889610168 /nfs/dbraw/zinc/61/01/68/889610168.db2.gz UEOOAESPLCIBLS-UHFFFAOYSA-N 1 2 281.316 -1.406 20 0 CAADLO CC(=O)N[C@H](C)C(=O)NCCN(C)C(=O)Cn1cc[nH+]c1 ZINC001408517597 889611516 /nfs/dbraw/zinc/61/15/16/889611516.db2.gz OAPWLTQEXLHOCQ-SNVBAGLBSA-N 1 2 295.343 -1.018 20 0 CAADLO CCC(=O)NCC(=O)NCCN(C)C(=O)Cn1cc[nH+]c1 ZINC001408539352 889614871 /nfs/dbraw/zinc/61/48/71/889614871.db2.gz KCNPHHHBPPUVRS-UHFFFAOYSA-N 1 2 295.343 -1.016 20 0 CAADLO CN(CCNC(=O)[C@H]1COC(=O)N1)C(=O)Cc1c[nH+]c[nH]1 ZINC001408560378 889615178 /nfs/dbraw/zinc/61/51/78/889615178.db2.gz UVOSADBZJDJGHS-SECBINFHSA-N 1 2 295.299 -1.365 20 0 CAADLO CN(CCNC(=O)Cc1c[nH]c[nH+]1)C(=O)[C@@H]1CCC(=O)N1 ZINC001408704962 889620033 /nfs/dbraw/zinc/62/00/33/889620033.db2.gz LLCSEAZSDVOPEZ-JTQLQIEISA-N 1 2 293.327 -1.195 20 0 CAADLO CN(CCNC(=O)Cn1cncn1)C(=O)Cn1cc[nH+]c1 ZINC001408697066 889620909 /nfs/dbraw/zinc/62/09/09/889620909.db2.gz KFSIYDSQKUQRSB-UHFFFAOYSA-N 1 2 291.315 -1.251 20 0 CAADLO C[C@H](NC(N)=O)C(=O)N(C)CCNC(=O)Cc1c[nH]c[nH+]1 ZINC001408704904 889621148 /nfs/dbraw/zinc/62/11/48/889621148.db2.gz JTQHQUSZZUUXKA-QMMMGPOBSA-N 1 2 296.331 -1.416 20 0 CAADLO CN(CCNC(=O)Cc1c[nH]c[nH+]1)C(=O)c1cn(C)nn1 ZINC001408704860 889621340 /nfs/dbraw/zinc/62/13/40/889621340.db2.gz ICPFHHDMERFXMA-UHFFFAOYSA-N 1 2 291.315 -1.031 20 0 CAADLO CCC(=O)NCC(=O)NC1CN(C(=O)Cn2cc[nH+]c2)C1 ZINC001409039126 889623709 /nfs/dbraw/zinc/62/37/09/889623709.db2.gz RGHMXLJVGYPDPH-UHFFFAOYSA-N 1 2 293.327 -1.264 20 0 CAADLO NC(=O)NCC(=O)N1CC(NC(=O)Cn2cc[nH+]c2)C1 ZINC001409072022 889627805 /nfs/dbraw/zinc/62/78/05/889627805.db2.gz MDHFMCJTKDHORD-UHFFFAOYSA-N 1 2 280.288 -2.122 20 0 CAADLO COC[C@@H](OC)C(=O)NC1CN(C(=O)Cn2cc[nH+]c2)C1 ZINC001409105672 889629140 /nfs/dbraw/zinc/62/91/40/889629140.db2.gz CRRAIYTZXWEALZ-LLVKDONJSA-N 1 2 296.327 -1.129 20 0 CAADLO C[C@@H]([NH2+]Cc1nc(=O)n(C)[nH]1)[C@H](C)NC(=O)c1cn[nH]n1 ZINC001409386609 889633519 /nfs/dbraw/zinc/63/35/19/889633519.db2.gz SYUXXMJBFHIZOM-RQJHMYQMSA-N 1 2 294.319 -1.477 20 0 CAADLO C[C@@H]([NH2+]Cc1nc(=O)n(C)[nH]1)[C@H](C)NC(=O)c1cnn[nH]1 ZINC001409386609 889633528 /nfs/dbraw/zinc/63/35/28/889633528.db2.gz SYUXXMJBFHIZOM-RQJHMYQMSA-N 1 2 294.319 -1.477 20 0 CAADLO C[C@H](O)C[NH+]1CC(CCO)(NC(=O)c2cncn2C)C1 ZINC001409718388 889644623 /nfs/dbraw/zinc/64/46/23/889644623.db2.gz KUJVSTXXOFTLQT-JTQLQIEISA-N 1 2 282.344 -1.033 20 0 CAADLO CNC(=O)CN1CC(CCO)(NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001409764697 889644504 /nfs/dbraw/zinc/64/45/04/889644504.db2.gz ZOSLNKDRAZSTSC-UHFFFAOYSA-N 1 2 295.343 -1.749 20 0 CAADLO COCC[NH+]1CC(CCO)(NC(=O)c2c[nH]c(=O)n2C)C1 ZINC001409734408 889644891 /nfs/dbraw/zinc/64/48/91/889644891.db2.gz CWPKOFHCDOTGSX-UHFFFAOYSA-N 1 2 298.343 -1.061 20 0 CAADLO CC(=O)N1CC(C(=O)NC2(CCO)C[NH+](C[C@@H](C)O)C2)C1 ZINC001409709246 889645046 /nfs/dbraw/zinc/64/50/46/889645046.db2.gz PNDCNRJZQVUMEK-SNVBAGLBSA-N 1 2 299.371 -1.602 20 0 CAADLO CC[NH+]1CC(CCO)(NC(=O)c2cc(=O)n(C)cn2)C1 ZINC001409727982 889645530 /nfs/dbraw/zinc/64/55/30/889645530.db2.gz VKEMEFIJWVXEMX-UHFFFAOYSA-N 1 2 280.328 -1.033 20 0 CAADLO C[C@@H](O)C[NH+]1CC(CCO)(NC(=O)c2cnnn2C)C1 ZINC001409706633 889645714 /nfs/dbraw/zinc/64/57/14/889645714.db2.gz MWPCQMKIVXZCSN-SECBINFHSA-N 1 2 283.332 -1.638 20 0 CAADLO C[C@@H](O)C[NH+]1CC(CCO)(NC(=O)[C@@H](C)CC(N)=O)C1 ZINC001409735750 889646035 /nfs/dbraw/zinc/64/60/35/889646035.db2.gz GVFXJQFASOVLOL-VHSXEESVSA-N 1 2 287.360 -1.568 20 0 CAADLO O=C(C[C@H]1CCC(=O)N1)NC1(CCO)C[NH+](CCCO)C1 ZINC001409751975 889646507 /nfs/dbraw/zinc/64/65/07/889646507.db2.gz XGLUEIHROPLJED-LLVKDONJSA-N 1 2 299.371 -1.410 20 0 CAADLO Cn1cc(C(=O)NC2(CCO)C[NH+](CCCO)C2)nn1 ZINC001409711573 889646727 /nfs/dbraw/zinc/64/67/27/889646727.db2.gz UFZNPLSTUDDDNU-UHFFFAOYSA-N 1 2 283.332 -1.636 20 0 CAADLO C[C@@H](NC(=O)CC1CS(=O)(=O)C1)C1C[NH+](CCO)C1 ZINC001409895195 889647761 /nfs/dbraw/zinc/64/77/61/889647761.db2.gz BCVCNMVFUUEOCJ-SECBINFHSA-N 1 2 290.385 -1.150 20 0 CAADLO C[C@H](NC(=O)CCNC(N)=O)C1C[NH+](CC(N)=O)C1 ZINC001409970515 889647942 /nfs/dbraw/zinc/64/79/42/889647942.db2.gz HGUUNBPLMKMWSH-ZETCQYMHSA-N 1 2 271.321 -2.033 20 0 CAADLO CNC(=O)C[NH+]1CC([C@@H](C)NC(=O)[C@@H](COC)OC)C1 ZINC001409941495 889648251 /nfs/dbraw/zinc/64/82/51/889648251.db2.gz MVTPXZFIDORHGB-MWLCHTKSSA-N 1 2 287.360 -1.170 20 0 CAADLO CNC(=O)C[NH+]1CC([C@@H](C)NC(=O)C[C@H]2CCC(=O)N2)C1 ZINC001409906603 889649290 /nfs/dbraw/zinc/64/92/90/889649290.db2.gz JTCBREQSWWKAPP-MWLCHTKSSA-N 1 2 296.371 -1.162 20 0 CAADLO CCNC(=O)C[NH+]1CC([C@@H](C)NC(=O)Cn2ncnn2)C1 ZINC001409900997 889650585 /nfs/dbraw/zinc/65/05/85/889650585.db2.gz GYBJKPVIZONDKR-SECBINFHSA-N 1 2 295.347 -1.754 20 0 CAADLO CC(=O)NCC(=O)NC[C@@H](O)CNC(=O)Cn1cc[nH+]c1 ZINC001410033142 889651831 /nfs/dbraw/zinc/65/18/31/889651831.db2.gz DTZHZNMRCUNCTR-SNVBAGLBSA-N 1 2 297.315 -2.388 20 0 CAADLO Cn1c[nH+]cc1CC(=O)NC[C@@H](O)CNC(=O)C(F)F ZINC001410068325 889655208 /nfs/dbraw/zinc/65/52/08/889655208.db2.gz QHADHQLDFXQSFK-MRVPVSSYSA-N 1 2 290.270 -1.179 20 0 CAADLO CO[C@@H](C)C(=O)NC[C@@H](O)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001410086790 889658040 /nfs/dbraw/zinc/65/80/40/889658040.db2.gz NSAWLGHRZGZXHU-IUCAKERBSA-N 1 2 284.316 -1.420 20 0 CAADLO CO[C@@H](C)C(=O)NC[C@H](O)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001410086788 889658785 /nfs/dbraw/zinc/65/87/85/889658785.db2.gz NSAWLGHRZGZXHU-DTWKUNHWSA-N 1 2 284.316 -1.420 20 0 CAADLO COCCC(=O)NC[C@H](O)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001410082846 889659121 /nfs/dbraw/zinc/65/91/21/889659121.db2.gz ZWFGDYGZXQMLRN-VIFPVBQESA-N 1 2 284.316 -1.418 20 0 CAADLO CC(C)(O)CC(=O)NC[C@@H](O)CNC(=O)Cn1cc[nH+]c1 ZINC001410098268 889661352 /nfs/dbraw/zinc/66/13/52/889661352.db2.gz GPRLMEJKSGDKFH-SNVBAGLBSA-N 1 2 298.343 -1.363 20 0 CAADLO NC(=O)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)Cc3nnc[nH]3)[C@@H]2C1 ZINC001410165680 889664245 /nfs/dbraw/zinc/66/42/45/889664245.db2.gz XNBCAQZRASHSBR-PSVAKVPMSA-N 1 2 278.316 -1.874 20 0 CAADLO NC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)Cc3nnc[nH]3)[C@@H]2C1 ZINC001410165680 889664255 /nfs/dbraw/zinc/66/42/55/889664255.db2.gz XNBCAQZRASHSBR-PSVAKVPMSA-N 1 2 278.316 -1.874 20 0 CAADLO C[C@@H](CNC(=O)Cn1cc[nH+]c1)NC(=O)[C@H]1CNC(=O)N1 ZINC001410451472 889676832 /nfs/dbraw/zinc/67/68/32/889676832.db2.gz MJHONFYVAOXJDJ-DTWKUNHWSA-N 1 2 294.315 -1.815 20 0 CAADLO COCC(=O)NC[C@@H](CO)[NH2+]Cc1nnc2n1CCOC2 ZINC001410517270 889679579 /nfs/dbraw/zinc/67/95/79/889679579.db2.gz IKFOJRNRVFAWLJ-VIFPVBQESA-N 1 2 299.331 -1.979 20 0 CAADLO CC(=O)N[C@@H](C)C(=O)NC[C@@H](CO)[NH2+]Cc1ncnn1C ZINC001410554185 889679764 /nfs/dbraw/zinc/67/97/64/889679764.db2.gz LLHSASJXNYXXIJ-WPRPVWTQSA-N 1 2 298.347 -2.094 20 0 CAADLO COCCC(=O)NC[C@H](CO)[NH2+][C@H](C)c1nnnn1C ZINC001410540244 889679923 /nfs/dbraw/zinc/67/99/23/889679923.db2.gz ZJYHOLMKWNJMRT-RKDXNWHRSA-N 1 2 286.336 -1.626 20 0 CAADLO Cn1[nH]c(C[NH2+][C@H](CO)CNC(=O)C2CCCC2)nc1=O ZINC001410554140 889679985 /nfs/dbraw/zinc/67/99/85/889679985.db2.gz MNKRNJJJFOGFIH-JTQLQIEISA-N 1 2 297.359 -1.135 20 0 CAADLO Cn1ncc(C[NH2+][C@H](CO)CNC(=O)C2=COCCO2)n1 ZINC001410558200 889680412 /nfs/dbraw/zinc/68/04/12/889680412.db2.gz OWXXYTKJWWLELB-JTQLQIEISA-N 1 2 297.315 -1.730 20 0 CAADLO CC(=O)N[C@H](C)C(=O)NC[C@H](CO)[NH2+]Cc1nncn1C ZINC001410552309 889680635 /nfs/dbraw/zinc/68/06/35/889680635.db2.gz JVPWMCMXURPHGN-PSASIEDQSA-N 1 2 298.347 -2.094 20 0 CAADLO COCCC(=O)NC[C@@H](CO)[NH2+]Cc1cnn(C)n1 ZINC001410519546 889681038 /nfs/dbraw/zinc/68/10/38/889681038.db2.gz KQOYYWCUXZKCRE-JTQLQIEISA-N 1 2 271.321 -1.582 20 0 CAADLO CC(=O)N[C@@H](C)C(=O)NC[C@@H](CO)[NH2+]Cc1nncn1C ZINC001410552320 889681661 /nfs/dbraw/zinc/68/16/61/889681661.db2.gz JVPWMCMXURPHGN-WPRPVWTQSA-N 1 2 298.347 -2.094 20 0 CAADLO CO[C@@H](C)C(=O)NC[C@@H](CO)[NH2+]Cc1nnc(C)[nH]1 ZINC001410572734 889682894 /nfs/dbraw/zinc/68/28/94/889682894.db2.gz AXUABKGGBVUHES-CBAPKCEASA-N 1 2 271.321 -1.285 20 0 CAADLO CO[C@H](C)C(=O)NC[C@H](CO)[NH2+]Cc1nnc(C)[nH]1 ZINC001410572757 889682667 /nfs/dbraw/zinc/68/26/67/889682667.db2.gz AXUABKGGBVUHES-VXNVDRBHSA-N 1 2 271.321 -1.285 20 0 CAADLO Cn1nnnc1C[NH2+][C@H](CO)CNC(=O)[C@H]1CCOC1 ZINC001410573157 889683026 /nfs/dbraw/zinc/68/30/26/889683026.db2.gz DSLVSGCVMYAJHU-IUCAKERBSA-N 1 2 284.320 -2.187 20 0 CAADLO Cn1nnnc1C[NH2+][C@@H](CO)CNC(=O)[C@H]1CCOC1 ZINC001410573147 889683824 /nfs/dbraw/zinc/68/38/24/889683824.db2.gz DSLVSGCVMYAJHU-DTWKUNHWSA-N 1 2 284.320 -2.187 20 0 CAADLO Cn1ncnc1C[NH2+][C@@H](CO)CNC(=O)c1ccnn1C ZINC001410570916 889684114 /nfs/dbraw/zinc/68/41/14/889684114.db2.gz AOMOWTJTTILEMX-SECBINFHSA-N 1 2 293.331 -1.571 20 0 CAADLO Cn1ncnc1C[NH2+][C@H](CO)CNC(=O)c1cnns1 ZINC001410575809 889684181 /nfs/dbraw/zinc/68/41/81/889684181.db2.gz GDHVQQAGTVOBGX-ZETCQYMHSA-N 1 2 297.344 -1.453 20 0 CAADLO Cc1nonc1C[NH2+][C@H](CO)CNC(=O)Cc1cc[nH]n1 ZINC001410579902 889684462 /nfs/dbraw/zinc/68/44/62/889684462.db2.gz LMDXXXBRJVXLRK-JTQLQIEISA-N 1 2 294.315 -1.089 20 0 CAADLO Cn1nnnc1C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCOC1 ZINC001410573165 889684748 /nfs/dbraw/zinc/68/47/48/889684748.db2.gz DSLVSGCVMYAJHU-RKDXNWHRSA-N 1 2 284.320 -2.187 20 0 CAADLO Cn1[nH]c(C[NH2+][C@H](CO)CNC(=O)c2ccoc2)nc1=O ZINC001410567635 889684850 /nfs/dbraw/zinc/68/48/50/889684850.db2.gz JMGONEQFGJCEKB-VIFPVBQESA-N 1 2 295.299 -1.418 20 0 CAADLO Cn1ncc(C[NH2+][C@@H](CO)CNC(=O)Cc2ccon2)n1 ZINC001410577469 889684894 /nfs/dbraw/zinc/68/48/94/889684894.db2.gz AMKFBOGEOKCFAE-LLVKDONJSA-N 1 2 294.315 -1.388 20 0 CAADLO C[C@H](C(=O)NC[C@H](CO)[NH2+]Cc1nc(=O)n(C)[nH]1)C1CC1 ZINC001410585130 889686875 /nfs/dbraw/zinc/68/68/75/889686875.db2.gz SCPMDLPWKJKZAB-WCBMZHEXSA-N 1 2 297.359 -1.279 20 0 CAADLO Cn1cc(C[NH2+][C@H](CO)CNC(=O)c2ccnn2C)nn1 ZINC001410589535 889687175 /nfs/dbraw/zinc/68/71/75/889687175.db2.gz RQNJRDOMUXVCFR-JTQLQIEISA-N 1 2 293.331 -1.571 20 0 CAADLO Cc1ocnc1C(=O)NC[C@H](CO)[NH2+]Cc1nnnn1C ZINC001410583486 889687876 /nfs/dbraw/zinc/68/78/76/889687876.db2.gz MACWJYPVXKEGMF-MRVPVSSYSA-N 1 2 295.303 -1.613 20 0 CAADLO C[C@H](C(=O)NC[C@@H](CO)[NH2+]Cc1nc(=O)n(C)[nH]1)C1CC1 ZINC001410585134 889687925 /nfs/dbraw/zinc/68/79/25/889687925.db2.gz SCPMDLPWKJKZAB-WPRPVWTQSA-N 1 2 297.359 -1.279 20 0 CAADLO Cn1ncc(C[NH2+][C@@H](CO)CNC(=O)[C@@H]2COC(=O)N2)n1 ZINC001410625430 889691580 /nfs/dbraw/zinc/69/15/80/889691580.db2.gz DRPOWLAWHRCIIZ-BDAKNGLRSA-N 1 2 298.303 -2.510 20 0 CAADLO Cn1cnnc1C[NH2+][C@@H](CO)CNC(=O)c1cocn1 ZINC001410600247 889692035 /nfs/dbraw/zinc/69/20/35/889692035.db2.gz ZUKKHSDEBASQAM-MRVPVSSYSA-N 1 2 280.288 -1.316 20 0 CAADLO C[N@@H+]1CCC[C@H]1C(=O)NC[C@H](CO)[NH2+]Cc1n[nH]c(=O)[n-]1 ZINC001410599794 889692060 /nfs/dbraw/zinc/69/20/60/889692060.db2.gz YTMXCVIFFCXHPW-BDAKNGLRSA-N 1 2 298.347 -1.829 20 0 CAADLO C[N@H+]1CCC[C@H]1C(=O)NC[C@H](CO)[NH2+]Cc1n[nH]c(=O)[n-]1 ZINC001410599794 889692067 /nfs/dbraw/zinc/69/20/67/889692067.db2.gz YTMXCVIFFCXHPW-BDAKNGLRSA-N 1 2 298.347 -1.829 20 0 CAADLO Cc1nc(C[NH2+][C@@H](CO)CNC(=O)c2cn(C)nn2)co1 ZINC001410651138 889695384 /nfs/dbraw/zinc/69/53/84/889695384.db2.gz WLKUEACRPGYVCI-SECBINFHSA-N 1 2 294.315 -1.008 20 0 CAADLO Cn1ncc(C[NH2+][C@H](CO)CNC(=O)[C@]23C[C@H]2COC3)n1 ZINC001410645415 889695573 /nfs/dbraw/zinc/69/55/73/889695573.db2.gz YOEYZDACXOTGDA-GAFUQQFSSA-N 1 2 295.343 -1.582 20 0 CAADLO NC(=O)NCC(=O)N1CC[C@@H]1CNC(=O)Cc1c[nH]c[nH+]1 ZINC001410644862 889695645 /nfs/dbraw/zinc/69/56/45/889695645.db2.gz DCCFPMGNGAOHGS-SECBINFHSA-N 1 2 294.315 -1.662 20 0 CAADLO Cc1ncc(C[NH2+][C@@H](CO)CNC(=O)c2cnn[nH]2)cn1 ZINC001410687234 889698953 /nfs/dbraw/zinc/69/89/53/889698953.db2.gz LWBRUPQXUKEAPD-SNVBAGLBSA-N 1 2 291.315 -1.216 20 0 CAADLO Cc1nnsc1C[NH2+][C@@H](CO)CNC(=O)c1cn[nH]n1 ZINC001410687814 889699880 /nfs/dbraw/zinc/69/98/80/889699880.db2.gz MROTVBLWCCYIGK-SSDOTTSWSA-N 1 2 297.344 -1.155 20 0 CAADLO Cc1nnsc1C[NH2+][C@@H](CO)CNC(=O)c1cnn[nH]1 ZINC001410687814 889699889 /nfs/dbraw/zinc/69/98/89/889699889.db2.gz MROTVBLWCCYIGK-SSDOTTSWSA-N 1 2 297.344 -1.155 20 0 CAADLO Cn1[nH]c(C[NH2+][C@H](CO)CNC(=O)CC2(C)CC2)nc1=O ZINC001410700402 889700834 /nfs/dbraw/zinc/70/08/34/889700834.db2.gz MMMYXHMMSFTDKO-VIFPVBQESA-N 1 2 297.359 -1.135 20 0 CAADLO Cn1cnnc1C[NH2+][C@H](CO)CNC(=O)c1cncn1C ZINC001410694933 889702455 /nfs/dbraw/zinc/70/24/55/889702455.db2.gz UQWRVFQELHIWFK-VIFPVBQESA-N 1 2 293.331 -1.571 20 0 CAADLO Cn1[nH]c(C[NH2+][C@@H](CO)CNC(=O)CC2(C)CC2)nc1=O ZINC001410700395 889703202 /nfs/dbraw/zinc/70/32/02/889703202.db2.gz MMMYXHMMSFTDKO-SECBINFHSA-N 1 2 297.359 -1.135 20 0 CAADLO C[C@@H](CC(N)=O)C(=O)NC[C@H](CO)[NH2+]Cc1ccon1 ZINC001410705610 889703307 /nfs/dbraw/zinc/70/33/07/889703307.db2.gz ONUSAAGVPVWWMF-WCBMZHEXSA-N 1 2 284.316 -1.247 20 0 CAADLO CCn1cc(C[NH2+][C@H](CO)CNC(=O)c2cn[nH]n2)nn1 ZINC001410698153 889703466 /nfs/dbraw/zinc/70/34/66/889703466.db2.gz XZYLQRAEPIGCEP-VIFPVBQESA-N 1 2 294.319 -1.703 20 0 CAADLO CCn1cc(C[NH2+][C@@H](CO)CNC(=O)c2cn[nH]n2)nn1 ZINC001410698145 889703776 /nfs/dbraw/zinc/70/37/76/889703776.db2.gz XZYLQRAEPIGCEP-SECBINFHSA-N 1 2 294.319 -1.703 20 0 CAADLO CCn1nncc1C[NH2+][C@@H](CO)CNC(=O)c1cn[nH]n1 ZINC001410692426 889703857 /nfs/dbraw/zinc/70/38/57/889703857.db2.gz RGTHZPVKJBEMEX-MRVPVSSYSA-N 1 2 294.319 -1.703 20 0 CAADLO CCn1nncc1C[NH2+][C@@H](CO)CNC(=O)c1cnn[nH]1 ZINC001410692426 889703862 /nfs/dbraw/zinc/70/38/62/889703862.db2.gz RGTHZPVKJBEMEX-MRVPVSSYSA-N 1 2 294.319 -1.703 20 0 CAADLO Cn1cc(C[NH2+][C@H](CO)CNC(=O)[C@H]2CNC(=O)N2)nn1 ZINC001410729260 889704902 /nfs/dbraw/zinc/70/49/02/889704902.db2.gz PDECFMUGKUBOHL-DTWKUNHWSA-N 1 2 297.319 -2.937 20 0 CAADLO O=C(NC[C@@H](CO)[NH2+]Cc1nccs1)[C@@H]1CNC(=O)N1 ZINC001410716034 889705370 /nfs/dbraw/zinc/70/53/70/889705370.db2.gz CDKFPRYQSVEPHI-YUMQZZPRSA-N 1 2 299.356 -1.609 20 0 CAADLO CCO[C@H](C)C(=O)NC[C@H](CO)[NH2+]Cc1nncn1C ZINC001410720225 889705618 /nfs/dbraw/zinc/70/56/18/889705618.db2.gz PZQYZFJYCBUEFV-NXEZZACHSA-N 1 2 285.348 -1.193 20 0 CAADLO CCO[C@@H](C)C(=O)NC[C@@H](CO)[NH2+]Cc1nncn1C ZINC001410720232 889705732 /nfs/dbraw/zinc/70/57/32/889705732.db2.gz PZQYZFJYCBUEFV-UWVGGRQHSA-N 1 2 285.348 -1.193 20 0 CAADLO Cn1nnnc1C[NH2+][C@@H](CO)CNC(=O)CC(C)(F)F ZINC001410728628 889705846 /nfs/dbraw/zinc/70/58/46/889705846.db2.gz LZTDVENAUJWQPF-SSDOTTSWSA-N 1 2 292.290 -1.178 20 0 CAADLO Cn1cc(C[NH2+][C@@H](CO)CNC(=O)[C@@H]2CNC(=O)N2)nn1 ZINC001410729138 889705927 /nfs/dbraw/zinc/70/59/27/889705927.db2.gz PDECFMUGKUBOHL-BDAKNGLRSA-N 1 2 297.319 -2.937 20 0 CAADLO CCO[C@H](C)C(=O)NC[C@@H](CO)[NH2+]Cc1nncn1C ZINC001410720248 889706395 /nfs/dbraw/zinc/70/63/95/889706395.db2.gz PZQYZFJYCBUEFV-ZJUUUORDSA-N 1 2 285.348 -1.193 20 0 CAADLO CN1C[C@@H](C(=O)NC[C@@H](CO)[NH2+]Cc2ccon2)NC1=O ZINC001410715215 889707482 /nfs/dbraw/zinc/70/74/82/889707482.db2.gz WZPQVJDPVCSNFU-UWVGGRQHSA-N 1 2 297.315 -1.735 20 0 CAADLO Cn1ncnc1C[NH2+][C@H](CO)CNC(=O)[C@@H]1CNC(=O)N1 ZINC001410736574 889708163 /nfs/dbraw/zinc/70/81/63/889708163.db2.gz VNJGKOQQDKPPAR-YUMQZZPRSA-N 1 2 297.319 -2.937 20 0 CAADLO Cn1ncnc1C[NH2+][C@H](CO)CNC(=O)Cc1cnoc1 ZINC001410736878 889708192 /nfs/dbraw/zinc/70/81/92/889708192.db2.gz VPVNUVQVYZRCCA-JTQLQIEISA-N 1 2 294.315 -1.388 20 0 CAADLO COc1cc(C[NH2+][C@@H](CO)CNC(=O)c2cnon2)on1 ZINC001410767578 889709369 /nfs/dbraw/zinc/70/93/69/889709369.db2.gz HIBATYVDEQCQRW-SSDOTTSWSA-N 1 2 297.271 -1.053 20 0 CAADLO CNC(=O)[C@@H](C)[NH2+][C@H](CO)CNC(=O)CCc1cnn[nH]1 ZINC001410738042 889709513 /nfs/dbraw/zinc/70/95/13/889709513.db2.gz ZZMKGOSAQZYERD-SCZZXKLOSA-N 1 2 298.347 -2.062 20 0 CAADLO CNC(=O)[C@@H](C)[NH2+][C@@H](CO)CNC(=O)CCc1cnn[nH]1 ZINC001410738041 889710413 /nfs/dbraw/zinc/71/04/13/889710413.db2.gz ZZMKGOSAQZYERD-PSASIEDQSA-N 1 2 298.347 -2.062 20 0 CAADLO O=C(NC[C@H](CO)[NH2+]Cc1ccon1)[C@@H]1CNC(=O)N1 ZINC001410733580 889710664 /nfs/dbraw/zinc/71/06/64/889710664.db2.gz UAFRVEWGGDDVRZ-BDAKNGLRSA-N 1 2 283.288 -2.077 20 0 CAADLO Cc1nnc(C[NH2+][C@H](CO)CNC(=O)c2ccn(C)n2)[nH]1 ZINC001410783187 889713587 /nfs/dbraw/zinc/71/35/87/889713587.db2.gz HTPRVJPHXHMTGN-VIFPVBQESA-N 1 2 293.331 -1.273 20 0 CAADLO CN(C)C(=O)C[NH2+][C@@H](CO)CNC(=O)Cc1nnc[nH]1 ZINC001410779572 889715102 /nfs/dbraw/zinc/71/51/02/889715102.db2.gz YMQJYROUVKATOX-MRVPVSSYSA-N 1 2 284.320 -2.498 20 0 CAADLO Cn1ncc(C[NH2+][C@H](CO)CNC(=O)[C@@H]2CCC(=O)N2)n1 ZINC001410786330 889717228 /nfs/dbraw/zinc/71/72/28/889717228.db2.gz BFLFXOZQLFOAST-UWVGGRQHSA-N 1 2 296.331 -2.340 20 0 CAADLO Cn1cc(C[NH2+][C@@H](CO)CNC(=O)c2ccn(C)n2)nn1 ZINC001410791092 889718332 /nfs/dbraw/zinc/71/83/32/889718332.db2.gz QSDCCIBHWVBTRS-SNVBAGLBSA-N 1 2 293.331 -1.571 20 0 CAADLO Cc1cc(C[NH2+][C@H](CO)CNC(=O)Cn2cncn2)no1 ZINC001410785843 889719573 /nfs/dbraw/zinc/71/95/73/889719573.db2.gz UJXFJIIUHHWDOP-NSHDSACASA-N 1 2 294.315 -1.159 20 0 CAADLO COCC(=O)N(C)C[C@H](O)C[N@H+](C)Cc1cnnn1C ZINC001411122505 889734410 /nfs/dbraw/zinc/73/44/10/889734410.db2.gz HYQMIMVDXHEWHW-LLVKDONJSA-N 1 2 285.348 -1.287 20 0 CAADLO COCC(=O)N(C)C[C@H](O)C[N@@H+](C)Cc1cnnn1C ZINC001411122505 889734418 /nfs/dbraw/zinc/73/44/18/889734418.db2.gz HYQMIMVDXHEWHW-LLVKDONJSA-N 1 2 285.348 -1.287 20 0 CAADLO COCC[N@H+](CCNC(=O)[C@@H]1CO[C@@H](C)C1)CC(N)=O ZINC001411226515 889742129 /nfs/dbraw/zinc/74/21/29/889742129.db2.gz JOWZDNJSSXDYCY-QWRGUYRKSA-N 1 2 287.360 -1.039 20 0 CAADLO COCC[N@@H+](CCNC(=O)[C@@H]1CO[C@@H](C)C1)CC(N)=O ZINC001411226515 889742138 /nfs/dbraw/zinc/74/21/38/889742138.db2.gz JOWZDNJSSXDYCY-QWRGUYRKSA-N 1 2 287.360 -1.039 20 0 CAADLO CNC(=O)NCC(=O)N(CC[N@H+](C)CC(N)=O)C(C)C ZINC001411196399 889742810 /nfs/dbraw/zinc/74/28/10/889742810.db2.gz UNHBJMVMHKNKJU-UHFFFAOYSA-N 1 2 287.364 -1.431 20 0 CAADLO CNC(=O)NCC(=O)N(CC[N@@H+](C)CC(N)=O)C(C)C ZINC001411196399 889742824 /nfs/dbraw/zinc/74/28/24/889742824.db2.gz UNHBJMVMHKNKJU-UHFFFAOYSA-N 1 2 287.364 -1.431 20 0 CAADLO COCC[N@H+](CCNC(=O)[C@H]1CO[C@H](C)C1)CC(N)=O ZINC001411226490 889742956 /nfs/dbraw/zinc/74/29/56/889742956.db2.gz JOWZDNJSSXDYCY-GHMZBOCLSA-N 1 2 287.360 -1.039 20 0 CAADLO COCC[N@@H+](CCNC(=O)[C@H]1CO[C@H](C)C1)CC(N)=O ZINC001411226490 889742965 /nfs/dbraw/zinc/74/29/65/889742965.db2.gz JOWZDNJSSXDYCY-GHMZBOCLSA-N 1 2 287.360 -1.039 20 0 CAADLO COCC[N@H+](CCNC(=O)c1cnon1)[C@@H](C)C(N)=O ZINC001411226283 889743463 /nfs/dbraw/zinc/74/34/63/889743463.db2.gz OOVAFVQVMLJCQG-QMMMGPOBSA-N 1 2 285.304 -1.378 20 0 CAADLO COCC[N@@H+](CCNC(=O)c1cnon1)[C@@H](C)C(N)=O ZINC001411226283 889743470 /nfs/dbraw/zinc/74/34/70/889743470.db2.gz OOVAFVQVMLJCQG-QMMMGPOBSA-N 1 2 285.304 -1.378 20 0 CAADLO COCC[N@H+](CCNC(=O)[C@H]1CCCO1)CC(N)=O ZINC001411215849 889743526 /nfs/dbraw/zinc/74/35/26/889743526.db2.gz LAQQKVZWJFHRPY-SNVBAGLBSA-N 1 2 273.333 -1.285 20 0 CAADLO COCC[N@@H+](CCNC(=O)[C@H]1CCCO1)CC(N)=O ZINC001411215849 889743531 /nfs/dbraw/zinc/74/35/31/889743531.db2.gz LAQQKVZWJFHRPY-SNVBAGLBSA-N 1 2 273.333 -1.285 20 0 CAADLO CC(C)N(CC[N@H+](C)CC(N)=O)C(=O)Cn1cnnn1 ZINC001411188920 889744485 /nfs/dbraw/zinc/74/44/85/889744485.db2.gz MQLVCQBLAYVPJL-UHFFFAOYSA-N 1 2 283.336 -1.673 20 0 CAADLO CC(C)N(CC[N@@H+](C)CC(N)=O)C(=O)Cn1cnnn1 ZINC001411188920 889744496 /nfs/dbraw/zinc/74/44/96/889744496.db2.gz MQLVCQBLAYVPJL-UHFFFAOYSA-N 1 2 283.336 -1.673 20 0 CAADLO CN(CC(N)=O)C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001411642203 889756889 /nfs/dbraw/zinc/75/68/89/889756889.db2.gz DSMQPGVIMPVVMB-MNOVXSKESA-N 1 2 285.344 -1.190 20 0 CAADLO O=C(NCCc1[nH]cc[nH+]1)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001411798002 889764065 /nfs/dbraw/zinc/76/40/65/889764065.db2.gz GJBKGBXCKYWYED-ZETCQYMHSA-N 1 2 286.313 -2.018 20 0 CAADLO Cc1nn(CC(=O)N[C@H]2CCC[N@H+](CC(N)=O)C2)c(=O)o1 ZINC001411768137 889764318 /nfs/dbraw/zinc/76/43/18/889764318.db2.gz OHCQKNYTILEPCQ-VIFPVBQESA-N 1 2 297.315 -1.789 20 0 CAADLO Cc1nn(CC(=O)N[C@H]2CCC[N@@H+](CC(N)=O)C2)c(=O)o1 ZINC001411768137 889764326 /nfs/dbraw/zinc/76/43/26/889764326.db2.gz OHCQKNYTILEPCQ-VIFPVBQESA-N 1 2 297.315 -1.789 20 0 CAADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)c1cn[nH]c(=O)c1 ZINC001411877795 889768248 /nfs/dbraw/zinc/76/82/48/889768248.db2.gz IMIMDCOLIJPFTJ-NSHDSACASA-N 1 2 296.327 -1.053 20 0 CAADLO O=C(NC1CC[NH+]([C@H]2CCOC2=O)CC1)[C@@H]1COC(=O)N1 ZINC001411956387 889778479 /nfs/dbraw/zinc/77/84/79/889778479.db2.gz SPPHXWRASRHVGG-UWVGGRQHSA-N 1 2 297.311 -1.009 20 0 CAADLO C[NH+](C)C[C@H](CO)NC(=O)C1CC2(C1)CS(=O)(=O)C2 ZINC001412109605 889793685 /nfs/dbraw/zinc/79/36/85/889793685.db2.gz MHMZKRLHKPHEAR-SNVBAGLBSA-N 1 2 290.385 -1.150 20 0 CAADLO CC[C@@H](C(=O)NC[C@@]1(O)CCS(=O)(=O)C1)[NH+](C)C ZINC001412137173 889794053 /nfs/dbraw/zinc/79/40/53/889794053.db2.gz LAVWULWCXIVZPM-ONGXEEELSA-N 1 2 278.374 -1.008 20 0 CAADLO C[C@H](C(=O)N1CCN(CC(N)=O)C(=O)C1)n1cc[nH+]c1 ZINC001412210638 889799807 /nfs/dbraw/zinc/79/98/07/889799807.db2.gz CTLRNLSZTKFDOL-SECBINFHSA-N 1 2 279.300 -1.400 20 0 CAADLO Cn1c[nH+]c(CCNC(=O)CN2CCN(C)C(=O)C2)c1 ZINC001412211325 889800416 /nfs/dbraw/zinc/80/04/16/889800416.db2.gz DMBZXPJQVGXRIF-UHFFFAOYSA-N 1 2 279.344 -1.147 20 0 CAADLO C[N@H+]1CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)[C@H](CO)C1 ZINC001412378309 889817517 /nfs/dbraw/zinc/81/75/17/889817517.db2.gz LHQMTSJDUXWSAO-LPEHRKFASA-N 1 2 271.317 -1.846 20 0 CAADLO C[N@@H+]1CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)[C@H](CO)C1 ZINC001412378309 889817512 /nfs/dbraw/zinc/81/75/12/889817512.db2.gz LHQMTSJDUXWSAO-LPEHRKFASA-N 1 2 271.317 -1.846 20 0 CAADLO NC(=O)[C@@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@H]1C(N)=O ZINC001412384849 889817833 /nfs/dbraw/zinc/81/78/33/889817833.db2.gz OGVVCKLLBVYISW-NXEZZACHSA-N 1 2 293.327 -1.292 20 0 CAADLO NC(=O)[C@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1C(N)=O ZINC001412401256 889821298 /nfs/dbraw/zinc/82/12/98/889821298.db2.gz NOQGEJPMALPMHK-DTORHVGOSA-N 1 2 279.300 -1.682 20 0 CAADLO NC(=O)[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1C(N)=O ZINC001412401300 889821755 /nfs/dbraw/zinc/82/17/55/889821755.db2.gz NOQGEJPMALPMHK-RKDXNWHRSA-N 1 2 279.300 -1.682 20 0 CAADLO CN(CC(=O)N[C@@H](CO)c1c[nH+]cn1C)S(C)(=O)=O ZINC001412397507 889822028 /nfs/dbraw/zinc/82/20/28/889822028.db2.gz JLFXMULTRQFKQW-QMMMGPOBSA-N 1 2 290.345 -1.539 20 0 CAADLO O=C(CCc1c[nH]c[nH+]1)N[C@@H]1CS(=O)(=O)C[C@H]1O ZINC001412405657 889824904 /nfs/dbraw/zinc/82/49/04/889824904.db2.gz MVEOHESZQBULFF-RKDXNWHRSA-N 1 2 273.314 -1.384 20 0 CAADLO O=C(CCc1c[nH+]c[nH]1)N[C@@H]1CS(=O)(=O)C[C@H]1O ZINC001412405657 889824907 /nfs/dbraw/zinc/82/49/07/889824907.db2.gz MVEOHESZQBULFF-RKDXNWHRSA-N 1 2 273.314 -1.384 20 0 CAADLO O=C(N[C@@H]1CS(=O)(=O)C[C@H]1O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001412407514 889825695 /nfs/dbraw/zinc/82/56/95/889825695.db2.gz RGWGOLNIARPUMK-FBIMIBRVSA-N 1 2 299.352 -1.280 20 0 CAADLO COCC(=O)NCCC(=O)N[C@H](CO)c1c[nH+]cn1C ZINC001412413787 889828141 /nfs/dbraw/zinc/82/81/41/889828141.db2.gz XBTSGWDBGKTFGJ-SECBINFHSA-N 1 2 284.316 -1.278 20 0 CAADLO NS(=O)(=O)NC1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001412444061 889830157 /nfs/dbraw/zinc/83/01/57/889830157.db2.gz FOJSSHHXSBIBNX-UHFFFAOYSA-N 1 2 287.345 -1.264 20 0 CAADLO O=C(Cc1n[nH]c(C2CC2)n1)NC[C@@]1(CO)COCC[NH2+]1 ZINC001412466089 889835146 /nfs/dbraw/zinc/83/51/46/889835146.db2.gz PDXXEAUQCODRQS-CYBMUJFWSA-N 1 2 295.343 -1.308 20 0 CAADLO C[C@H]1C[N@H+](CCNC(=O)[C@H](CO)NC(N)=O)CCO1 ZINC001412488529 889838559 /nfs/dbraw/zinc/83/85/59/889838559.db2.gz JJLGOINTCPIBNC-IUCAKERBSA-N 1 2 274.321 -2.148 20 0 CAADLO C[C@H]1C[N@@H+](CCNC(=O)[C@H](CO)NC(N)=O)CCO1 ZINC001412488529 889838568 /nfs/dbraw/zinc/83/85/68/889838568.db2.gz JJLGOINTCPIBNC-IUCAKERBSA-N 1 2 274.321 -2.148 20 0 CAADLO C[C@H]1C[N@H+](CCNC(=O)[C@@H](CO)NC(N)=O)CCO1 ZINC001412488508 889838976 /nfs/dbraw/zinc/83/89/76/889838976.db2.gz JJLGOINTCPIBNC-DTWKUNHWSA-N 1 2 274.321 -2.148 20 0 CAADLO C[C@H]1C[N@@H+](CCNC(=O)[C@@H](CO)NC(N)=O)CCO1 ZINC001412488508 889838986 /nfs/dbraw/zinc/83/89/86/889838986.db2.gz JJLGOINTCPIBNC-DTWKUNHWSA-N 1 2 274.321 -2.148 20 0 CAADLO O=C(CN1CCCNC1=O)N[C@H](CO)Cc1c[nH]c[nH+]1 ZINC001412490818 889839734 /nfs/dbraw/zinc/83/97/34/889839734.db2.gz OMDKOAYDFAWYHL-JTQLQIEISA-N 1 2 281.316 -1.155 20 0 CAADLO O=C(CN1CCCNC1=O)N[C@H](CO)Cc1c[nH+]c[nH]1 ZINC001412490818 889839751 /nfs/dbraw/zinc/83/97/51/889839751.db2.gz OMDKOAYDFAWYHL-JTQLQIEISA-N 1 2 281.316 -1.155 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@@H](NC(=O)C2(CO)CCOCC2)C1 ZINC001412520193 889842004 /nfs/dbraw/zinc/84/20/04/889842004.db2.gz FUBKOMBQUPNUDW-LLVKDONJSA-N 1 2 299.371 -1.159 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@@H](NC(=O)C2(CO)CCOCC2)C1 ZINC001412520193 889842017 /nfs/dbraw/zinc/84/20/17/889842017.db2.gz FUBKOMBQUPNUDW-LLVKDONJSA-N 1 2 299.371 -1.159 20 0 CAADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)Cn1cncn1 ZINC001412536545 889845390 /nfs/dbraw/zinc/84/53/90/889845390.db2.gz FAXNHSSOGGSLJR-VIFPVBQESA-N 1 2 277.288 -1.525 20 0 CAADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)Cn1cncn1 ZINC001412536545 889845398 /nfs/dbraw/zinc/84/53/98/889845398.db2.gz FAXNHSSOGGSLJR-VIFPVBQESA-N 1 2 277.288 -1.525 20 0 CAADLO C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)N1CCO[C@H](c2nn[nH]n2)C1 ZINC001412534744 889845596 /nfs/dbraw/zinc/84/55/96/889845596.db2.gz QDNBDMJQJDSMRF-VDDIYKPWSA-N 1 2 296.331 -1.445 20 0 CAADLO C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)N1CCO[C@H](c2nn[nH]n2)C1 ZINC001412534744 889845602 /nfs/dbraw/zinc/84/56/02/889845602.db2.gz QDNBDMJQJDSMRF-VDDIYKPWSA-N 1 2 296.331 -1.445 20 0 CAADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H]1CCC(=O)NC1 ZINC001412535577 889845967 /nfs/dbraw/zinc/84/59/67/889845967.db2.gz CDQQXZTWPNQJQU-WPRPVWTQSA-N 1 2 293.327 -1.291 20 0 CAADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H]1CCC(=O)NC1 ZINC001412535577 889845973 /nfs/dbraw/zinc/84/59/73/889845973.db2.gz CDQQXZTWPNQJQU-WPRPVWTQSA-N 1 2 293.327 -1.291 20 0 CAADLO COC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)Cn1cncn1 ZINC001412690667 889865815 /nfs/dbraw/zinc/86/58/15/889865815.db2.gz WLJKRBYTLGXVSJ-SECBINFHSA-N 1 2 278.272 -1.098 20 0 CAADLO COC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)Cn1cncn1 ZINC001412690667 889865821 /nfs/dbraw/zinc/86/58/21/889865821.db2.gz WLJKRBYTLGXVSJ-SECBINFHSA-N 1 2 278.272 -1.098 20 0 CAADLO CS(=O)(=O)C[C@@H](O)CNC(=O)CCc1[nH]cc[nH+]1 ZINC001412744102 889879296 /nfs/dbraw/zinc/87/92/96/889879296.db2.gz PXUYLWOFKACJEP-QMMMGPOBSA-N 1 2 275.330 -1.136 20 0 CAADLO O=C(Cc1c[nH]c[nH+]1)N[C@H](CO)CNC(=O)[C@@H]1CCCO1 ZINC001412767754 889885520 /nfs/dbraw/zinc/88/55/20/889885520.db2.gz MJHCXVIGBAVXKP-QWRGUYRKSA-N 1 2 296.327 -1.276 20 0 CAADLO CO[C@H](C)CC(=O)NC[C@@H](CO)NC(=O)Cc1[nH]cc[nH+]1 ZINC001412794637 889891458 /nfs/dbraw/zinc/89/14/58/889891458.db2.gz PWDWIWMJAVVAGX-ZJUUUORDSA-N 1 2 298.343 -1.030 20 0 CAADLO CO[C@H](C)CC(=O)NC[C@H](CO)NC(=O)Cc1[nH]cc[nH+]1 ZINC001412794633 889891694 /nfs/dbraw/zinc/89/16/94/889891694.db2.gz PWDWIWMJAVVAGX-NXEZZACHSA-N 1 2 298.343 -1.030 20 0 CAADLO CO[C@@H](C)CC(=O)NC[C@@H](CO)NC(=O)Cc1[nH]cc[nH+]1 ZINC001412794635 889892293 /nfs/dbraw/zinc/89/22/93/889892293.db2.gz PWDWIWMJAVVAGX-UWVGGRQHSA-N 1 2 298.343 -1.030 20 0 CAADLO CC(C)[C@@H](O)C(=O)NC[C@H](CO)NC(=O)Cn1cc[nH+]c1 ZINC001412837783 889897122 /nfs/dbraw/zinc/89/71/22/889897122.db2.gz SENHDLQXJFLRAT-ZYHUDNBSSA-N 1 2 298.343 -1.507 20 0 CAADLO O=C(Cn1cc[nH+]c1)NC[C@@H](CO)NC(=O)[C@@H]1CCOC1 ZINC001412911030 889907619 /nfs/dbraw/zinc/90/76/19/889907619.db2.gz YKSHWIMATNGRFY-MNOVXSKESA-N 1 2 296.327 -1.487 20 0 CAADLO C[N@@H+]1CCC[C@H]1c1cc(C(=O)NC[C@@H](O)C(N)=O)[nH]n1 ZINC001412928221 889910741 /nfs/dbraw/zinc/91/07/41/889910741.db2.gz PAXOPGADUITOGF-VHSXEESVSA-N 1 2 281.316 -1.248 20 0 CAADLO C[N@H+]1CCC[C@H]1c1cc(C(=O)NC[C@@H](O)C(N)=O)[nH]n1 ZINC001412928221 889910751 /nfs/dbraw/zinc/91/07/51/889910751.db2.gz PAXOPGADUITOGF-VHSXEESVSA-N 1 2 281.316 -1.248 20 0 CAADLO C[N@@H+]1CCC[C@@H]1c1cc(C(=O)NC[C@@H](O)C(N)=O)[nH]n1 ZINC001412928211 889911533 /nfs/dbraw/zinc/91/15/33/889911533.db2.gz PAXOPGADUITOGF-NXEZZACHSA-N 1 2 281.316 -1.248 20 0 CAADLO C[N@H+]1CCC[C@@H]1c1cc(C(=O)NC[C@@H](O)C(N)=O)[nH]n1 ZINC001412928211 889911540 /nfs/dbraw/zinc/91/15/40/889911540.db2.gz PAXOPGADUITOGF-NXEZZACHSA-N 1 2 281.316 -1.248 20 0 CAADLO C[S@](=O)CC[NH+]1CCN(CCCS(N)(=O)=O)CC1 ZINC001412946307 889913932 /nfs/dbraw/zinc/91/39/32/889913932.db2.gz HOQNJBSENZRCIC-KRWDZBQOSA-N 1 2 297.446 -1.339 20 0 CAADLO CCNC(=O)C[N@H+](C)CC1(O)CCS(=O)(=O)CC1 ZINC001412945652 889915135 /nfs/dbraw/zinc/91/51/35/889915135.db2.gz SXPDSEVWTOTFBF-UHFFFAOYSA-N 1 2 278.374 -1.006 20 0 CAADLO CCNC(=O)C[N@@H+](C)CC1(O)CCS(=O)(=O)CC1 ZINC001412945652 889915143 /nfs/dbraw/zinc/91/51/43/889915143.db2.gz SXPDSEVWTOTFBF-UHFFFAOYSA-N 1 2 278.374 -1.006 20 0 CAADLO COCC(=O)N[C@@H](CO)CNC(=O)CCc1[nH+]ccn1C ZINC001412947914 889915211 /nfs/dbraw/zinc/91/52/11/889915211.db2.gz VQQUGARBAFZTNM-SNVBAGLBSA-N 1 2 298.343 -1.408 20 0 CAADLO O=C(Cc1[nH]cc[nH+]1)NC[C@@H](CO)NC(=O)[C@@H]1CCCO1 ZINC001412952783 889917056 /nfs/dbraw/zinc/91/70/56/889917056.db2.gz FDIRJFDAYAAYFD-UWVGGRQHSA-N 1 2 296.327 -1.276 20 0 CAADLO O=C(Cn1cc[nH+]c1)NC[C@@]1(O)CCS(=O)(=O)C1 ZINC001412967265 889917210 /nfs/dbraw/zinc/91/72/10/889917210.db2.gz IJWXEELTVNGVJT-JTQLQIEISA-N 1 2 273.314 -1.451 20 0 CAADLO O=C(Cc1[nH]cc[nH+]1)NC[C@@H](CO)NC(=O)[C@H]1CCCO1 ZINC001412952856 889918670 /nfs/dbraw/zinc/91/86/70/889918670.db2.gz FDIRJFDAYAAYFD-VHSXEESVSA-N 1 2 296.327 -1.276 20 0 CAADLO CC(C)Cn1ncnc1C[NH+]1C[C@H](C(N)=O)[C@@H](C(N)=O)C1 ZINC001413032493 889928107 /nfs/dbraw/zinc/92/81/07/889928107.db2.gz ZWXFGHISZGTGRW-UWVGGRQHSA-N 1 2 294.359 -1.047 20 0 CAADLO CCN1OC[C@@H](N2CCC[N@@H+](CC(=O)NC)CC2)C1=O ZINC001413056917 889933368 /nfs/dbraw/zinc/93/33/68/889933368.db2.gz BLMVSWZCIRHQID-LLVKDONJSA-N 1 2 284.360 -1.098 20 0 CAADLO CCN1OC[C@@H](N2CCC[N@H+](CC(=O)NC)CC2)C1=O ZINC001413056917 889933359 /nfs/dbraw/zinc/93/33/59/889933359.db2.gz BLMVSWZCIRHQID-LLVKDONJSA-N 1 2 284.360 -1.098 20 0 CAADLO NC(=O)Cn1cc(C[NH2+][C@H]2CC(=O)N(CC3CC3)C2)nn1 ZINC001413158194 889941825 /nfs/dbraw/zinc/94/18/25/889941825.db2.gz CESHIQKEYDPVKN-JTQLQIEISA-N 1 2 292.343 -1.136 20 0 CAADLO NC(=O)Cn1cc(C[NH2+][C@@H]2CC(=O)N(CC3CC3)C2)nn1 ZINC001413158196 889943566 /nfs/dbraw/zinc/94/35/66/889943566.db2.gz CESHIQKEYDPVKN-SNVBAGLBSA-N 1 2 292.343 -1.136 20 0 CAADLO COCC(=O)N(C)C[C@@H](O)CNC(=O)Cc1c[nH+]cn1C ZINC001413204639 889946683 /nfs/dbraw/zinc/94/66/83/889946683.db2.gz VONYXUHGALJPPU-NSHDSACASA-N 1 2 298.343 -1.456 20 0 CAADLO CCn1cc(C[NH2+]C(C)(C)CNS(N)(=O)=O)nn1 ZINC001413261886 889953246 /nfs/dbraw/zinc/95/32/46/889953246.db2.gz WSNDAVKAPVFGSP-UHFFFAOYSA-N 1 2 276.366 -1.041 20 0 CAADLO CCN(CC(=O)NC)S(=O)(=O)N1CC[NH+](C)CC1 ZINC001413278647 889956169 /nfs/dbraw/zinc/95/61/69/889956169.db2.gz RVLAGQSAGGEBCF-UHFFFAOYSA-N 1 2 278.378 -1.454 20 0 CAADLO CNC(=O)[C@@H](C)CN(C)S(=O)(=O)N1CC[NH+](C)CC1 ZINC001413304852 889959280 /nfs/dbraw/zinc/95/92/80/889959280.db2.gz CWUBQEZRJNXXFQ-JTQLQIEISA-N 1 2 292.405 -1.208 20 0 CAADLO CCOCC(=O)NC[C@H](O)CN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001413316327 889961159 /nfs/dbraw/zinc/96/11/59/889961159.db2.gz SSHOXKIAIYZQQB-JTQLQIEISA-N 1 2 298.343 -1.076 20 0 CAADLO C[C@H](NS(=O)(=O)N1CC[NH+](C)CC1)c1ncn(C)n1 ZINC001413327804 889963753 /nfs/dbraw/zinc/96/37/53/889963753.db2.gz MMNDHGXRMPPAIU-VIFPVBQESA-N 1 2 288.377 -1.042 20 0 CAADLO CC(=O)NCC(=O)NCC(=O)NCC(C)(C)n1cc[nH+]c1 ZINC001413325518 889963841 /nfs/dbraw/zinc/96/38/41/889963841.db2.gz IRYUBROYCPFBMT-UHFFFAOYSA-N 1 2 295.343 -1.013 20 0 CAADLO Cn1cc([C@H]2CN(C(=O)c3nnn(C)n3)CC[NH2+]2)cn1 ZINC001413373419 889972997 /nfs/dbraw/zinc/97/29/97/889972997.db2.gz AJBMHVOWTVGHPG-SECBINFHSA-N 1 2 276.304 -1.270 20 0 CAADLO O=C(N[C@@H]1CS(=O)(=O)C[C@H]1O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001413371751 889974480 /nfs/dbraw/zinc/97/44/80/889974480.db2.gz NCAXIDIUHMOPOC-KHUVANEUSA-N 1 2 285.325 -1.213 20 0 CAADLO O=C(N[C@@H]1CS(=O)(=O)C[C@H]1O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001413371751 889974487 /nfs/dbraw/zinc/97/44/87/889974487.db2.gz NCAXIDIUHMOPOC-KHUVANEUSA-N 1 2 285.325 -1.213 20 0 CAADLO Cn1cc([C@H]2CN(C(=O)[C@@H](CO)NC(N)=O)CC[NH2+]2)cn1 ZINC001413374844 889976341 /nfs/dbraw/zinc/97/63/41/889976341.db2.gz GNIPCJGOCBWHBB-NXEZZACHSA-N 1 2 296.331 -2.078 20 0 CAADLO Cn1cc([C@H]2CN(C(=O)[C@H](CO)NC(N)=O)CC[NH2+]2)cn1 ZINC001413374863 889976882 /nfs/dbraw/zinc/97/68/82/889976882.db2.gz GNIPCJGOCBWHBB-ZJUUUORDSA-N 1 2 296.331 -2.078 20 0 CAADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)COCC(=O)OC ZINC001413508110 889994115 /nfs/dbraw/zinc/99/41/15/889994115.db2.gz ROZBEAXFICSEPT-VIFPVBQESA-N 1 2 298.299 -1.627 20 0 CAADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)COCC(=O)OC ZINC001413508110 889994126 /nfs/dbraw/zinc/99/41/26/889994126.db2.gz ROZBEAXFICSEPT-VIFPVBQESA-N 1 2 298.299 -1.627 20 0 CAADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H]1COC(=O)N1 ZINC001413509366 889995694 /nfs/dbraw/zinc/99/56/94/889995694.db2.gz VBERHPFFMLVMOQ-YUMQZZPRSA-N 1 2 281.272 -1.709 20 0 CAADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H]1COC(=O)N1 ZINC001413509366 889995708 /nfs/dbraw/zinc/99/57/08/889995708.db2.gz VBERHPFFMLVMOQ-YUMQZZPRSA-N 1 2 281.272 -1.709 20 0 CAADLO O=C(Cn1cc[nH+]c1)NCCc1nnc2n1CCNC2=O ZINC001413570407 889998575 /nfs/dbraw/zinc/99/85/75/889998575.db2.gz LSXGZRYJWYULDN-UHFFFAOYSA-N 1 2 289.299 -1.423 20 0 CAADLO CNC(=O)C[N@@H+]1CCCN(C(=O)[C@H]2CCOC(=O)N2)CC1 ZINC001413674731 890003149 /nfs/dbraw/zinc/00/31/49/890003149.db2.gz CNAQTYKKHVMCNP-SNVBAGLBSA-N 1 2 298.343 -1.235 20 0 CAADLO CNC(=O)C[N@H+]1CCCN(C(=O)[C@H]2CCOC(=O)N2)CC1 ZINC001413674731 890003158 /nfs/dbraw/zinc/00/31/58/890003158.db2.gz CNAQTYKKHVMCNP-SNVBAGLBSA-N 1 2 298.343 -1.235 20 0 CAADLO NC(=O)N[C@@H](CO)C(=O)NCc1[nH]c2c([nH+]1)CCCC2 ZINC001413672662 890003679 /nfs/dbraw/zinc/00/36/79/890003679.db2.gz ZEOHWAMDYBQIRH-VIFPVBQESA-N 1 2 281.316 -1.066 20 0 CAADLO O=C(CCc1[nH]cc[nH+]1)N1CCN2[C@H](CNS2(=O)=O)C1 ZINC001413647479 890004942 /nfs/dbraw/zinc/00/49/42/890004942.db2.gz JFUJBQGPOYNMGR-SECBINFHSA-N 1 2 299.356 -1.297 20 0 CAADLO CNS(=O)(=O)CCNC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC001413792822 890014260 /nfs/dbraw/zinc/01/42/60/890014260.db2.gz AIQNDOOXKHHRFD-QMMMGPOBSA-N 1 2 287.345 -1.344 20 0 CAADLO COC(=O)Cn1cc(CC[N@@H+]2CCN(C)[C@H](CO)C2)nn1 ZINC001414016143 890037220 /nfs/dbraw/zinc/03/72/20/890037220.db2.gz HEHGZFIXOWMVQH-LBPRGKRZSA-N 1 2 297.359 -1.398 20 0 CAADLO COC(=O)Cn1cc(CC[N@H+]2CCN(C)[C@H](CO)C2)nn1 ZINC001414016143 890037240 /nfs/dbraw/zinc/03/72/40/890037240.db2.gz HEHGZFIXOWMVQH-LBPRGKRZSA-N 1 2 297.359 -1.398 20 0 CAADLO C[S@@](=N)(=O)N1CC[NH+](CCC(=O)NC(N)=O)CC1 ZINC001414040901 890042043 /nfs/dbraw/zinc/04/20/43/890042043.db2.gz XNXQTONGAKAOJV-SFHVURJKSA-N 1 2 277.350 -1.219 20 0 CAADLO CON1CC[C@@H]([NH+]2CCC(NS(N)(=O)=O)CC2)C1=O ZINC001414029662 890042296 /nfs/dbraw/zinc/04/22/96/890042296.db2.gz RHFZSTPPSFTVRR-SECBINFHSA-N 1 2 292.361 -1.594 20 0 CAADLO CNS(=O)(=O)CC[N@@H+]1CCCC[C@H]1CS(N)(=O)=O ZINC001414032884 890042784 /nfs/dbraw/zinc/04/27/84/890042784.db2.gz HHBJMECUEUNJFS-VIFPVBQESA-N 1 2 299.418 -1.321 20 0 CAADLO CNS(=O)(=O)CC[N@H+]1CCCC[C@H]1CS(N)(=O)=O ZINC001414032884 890042790 /nfs/dbraw/zinc/04/27/90/890042790.db2.gz HHBJMECUEUNJFS-VIFPVBQESA-N 1 2 299.418 -1.321 20 0 CAADLO CNS(=O)(=O)CC[N@@H+]1CCCC[C@@H]1CS(N)(=O)=O ZINC001414032868 890042929 /nfs/dbraw/zinc/04/29/29/890042929.db2.gz HHBJMECUEUNJFS-SECBINFHSA-N 1 2 299.418 -1.321 20 0 CAADLO CNS(=O)(=O)CC[N@H+]1CCCC[C@@H]1CS(N)(=O)=O ZINC001414032868 890042947 /nfs/dbraw/zinc/04/29/47/890042947.db2.gz HHBJMECUEUNJFS-SECBINFHSA-N 1 2 299.418 -1.321 20 0 CAADLO CS(=O)(=O)NCC[N@@H+]1CCCC[C@@H]1CS(N)(=O)=O ZINC001414032135 890043994 /nfs/dbraw/zinc/04/39/94/890043994.db2.gz FSWVFNLBNWMXTH-SECBINFHSA-N 1 2 299.418 -1.321 20 0 CAADLO CS(=O)(=O)NCC[N@H+]1CCCC[C@@H]1CS(N)(=O)=O ZINC001414032135 890044000 /nfs/dbraw/zinc/04/40/00/890044000.db2.gz FSWVFNLBNWMXTH-SECBINFHSA-N 1 2 299.418 -1.321 20 0 CAADLO C[C@H]([NH2+]Cc1cn(CC(N)=O)nn1)C(=O)NCCF ZINC001414082848 890045022 /nfs/dbraw/zinc/04/50/22/890045022.db2.gz FDCAKVHNTQQXLB-ZETCQYMHSA-N 1 2 272.284 -1.673 20 0 CAADLO NC(=O)Cn1cc(C[NH2+]C[C@H]2CCCS2(=O)=O)nn1 ZINC001414084645 890046946 /nfs/dbraw/zinc/04/69/46/890046946.db2.gz KTMIIIVDPRUWMO-SECBINFHSA-N 1 2 287.345 -1.570 20 0 CAADLO C[N@H+](Cc1cn(CC(N)=O)nn1)CC(C)(CO)CO ZINC001414134686 890046986 /nfs/dbraw/zinc/04/69/86/890046986.db2.gz SEMIXERDFFPXDV-UHFFFAOYSA-N 1 2 271.321 -1.814 20 0 CAADLO C[N@@H+](Cc1cn(CC(N)=O)nn1)CC(C)(CO)CO ZINC001414134686 890047000 /nfs/dbraw/zinc/04/70/00/890047000.db2.gz SEMIXERDFFPXDV-UHFFFAOYSA-N 1 2 271.321 -1.814 20 0 CAADLO CCn1nncc1CNS(=O)(=O)N1CC[NH+](C)CC1 ZINC001414312479 890056478 /nfs/dbraw/zinc/05/64/78/890056478.db2.gz ZQLPIRNJECBYEN-UHFFFAOYSA-N 1 2 288.377 -1.120 20 0 CAADLO Cn1c[nH+]c(CCNC(=O)N2CCC(O)(C(N)=O)CC2)c1 ZINC001414664469 890070886 /nfs/dbraw/zinc/07/08/86/890070886.db2.gz JOIWBCZNJIRHRY-UHFFFAOYSA-N 1 2 295.343 -1.016 20 0 CAADLO C[C@H](CNC(=O)[C@@H]1COCCO1)NC(=O)Cn1cc[nH+]c1 ZINC001415111710 890083001 /nfs/dbraw/zinc/08/30/01/890083001.db2.gz DHEXKBICQFMNJC-MNOVXSKESA-N 1 2 296.327 -1.081 20 0 CAADLO C[C@H](CNC(=O)Cn1cc[nH+]c1)NC(=O)[C@@H]1COC(=O)N1 ZINC001415198698 890087939 /nfs/dbraw/zinc/08/79/39/890087939.db2.gz ZQQJFSWMELYZOG-BDAKNGLRSA-N 1 2 295.299 -1.388 20 0 CAADLO C[C@H](CNC(=O)Cn1cc[nH+]c1)NC(=O)[C@H]1COC(=O)N1 ZINC001415198701 890088237 /nfs/dbraw/zinc/08/82/37/890088237.db2.gz ZQQJFSWMELYZOG-RKDXNWHRSA-N 1 2 295.299 -1.388 20 0 CAADLO C[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)NC(=O)Cn1nccn1 ZINC001415283723 890089549 /nfs/dbraw/zinc/08/95/49/890089549.db2.gz QUAKLOVVQASLNA-VIFPVBQESA-N 1 2 291.315 -1.135 20 0 CAADLO CN(CCNC(=O)Cn1cc[nH+]c1)C(=O)Cn1cncn1 ZINC001415535518 890097516 /nfs/dbraw/zinc/09/75/16/890097516.db2.gz FMVGMCOMGAIXGD-UHFFFAOYSA-N 1 2 291.315 -1.251 20 0 CAADLO C[C@@H](CC(N)=O)C(=O)N(C)CCNC(=O)Cn1cc[nH+]c1 ZINC001415543518 890098006 /nfs/dbraw/zinc/09/80/06/890098006.db2.gz HULMODQRIKETAG-JTQLQIEISA-N 1 2 295.343 -1.031 20 0 CAADLO C[C@H](CC(N)=O)C(=O)N(C)CCNC(=O)Cn1cc[nH+]c1 ZINC001415543519 890098044 /nfs/dbraw/zinc/09/80/44/890098044.db2.gz HULMODQRIKETAG-SNVBAGLBSA-N 1 2 295.343 -1.031 20 0 CAADLO CNC(=O)NCC(=O)NC1CN(C(=O)Cn2cc[nH+]c2)C1 ZINC001416007076 890107869 /nfs/dbraw/zinc/10/78/69/890107869.db2.gz ROUIFJVKXDVTIW-UHFFFAOYSA-N 1 2 294.315 -1.861 20 0 CAADLO O=C(Cc1c[nH]c[nH+]1)NCC1CN(C(=O)c2nc[nH]n2)C1 ZINC001416128794 890113704 /nfs/dbraw/zinc/11/37/04/890113704.db2.gz FNBLUVDKDMZWQX-UHFFFAOYSA-N 1 2 289.299 -1.041 20 0 CAADLO CCOCC(=O)NC[C@H](O)CNC(=O)Cn1cc[nH+]c1 ZINC001416722908 890121179 /nfs/dbraw/zinc/12/11/79/890121179.db2.gz JFXYNERPHXYYKW-SNVBAGLBSA-N 1 2 284.316 -1.487 20 0 CAADLO CO[C@H](C)CC(=O)NC[C@@H](O)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001416739293 890124807 /nfs/dbraw/zinc/12/48/07/890124807.db2.gz OCGMQHDGEUTPLS-MWLCHTKSSA-N 1 2 298.343 -1.030 20 0 CAADLO CC(C)[C@@H](O)C(=O)NC[C@@H](O)CNC(=O)Cn1cc[nH+]c1 ZINC001416753020 890126784 /nfs/dbraw/zinc/12/67/84/890126784.db2.gz IBMULADUSXPWIG-CMPLNLGQSA-N 1 2 298.343 -1.507 20 0 CAADLO CC(C)[C@@H](O)C(=O)NC[C@H](O)CNC(=O)Cn1cc[nH+]c1 ZINC001416753022 890127375 /nfs/dbraw/zinc/12/73/75/890127375.db2.gz IBMULADUSXPWIG-ZYHUDNBSSA-N 1 2 298.343 -1.507 20 0 CAADLO CNC(=O)NCC(=O)N[C@H](C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001416822574 890129264 /nfs/dbraw/zinc/12/92/64/890129264.db2.gz LJRSTPSVWSLSJS-MRVPVSSYSA-N 1 2 296.331 -1.498 20 0 CAADLO C[C@H](CNC(=O)Cc1c[nH]c[nH+]1)NC(=O)[C@@H]1COC(=O)N1 ZINC001416806029 890130610 /nfs/dbraw/zinc/13/06/10/890130610.db2.gz SSYQJENGKMRSGZ-APPZFPTMSA-N 1 2 295.299 -1.319 20 0 CAADLO C[C@H](CNC(=O)[C@@H]1COC(=O)N1)NC(=O)Cn1cc[nH+]c1 ZINC001416828041 890130732 /nfs/dbraw/zinc/13/07/32/890130732.db2.gz AAPKGQBNAPOOEK-BDAKNGLRSA-N 1 2 295.299 -1.388 20 0 CAADLO CNC(=O)NCC(=O)N[C@@H](C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001416904880 890132538 /nfs/dbraw/zinc/13/25/38/890132538.db2.gz JWTJOICNUWSZBC-QMMMGPOBSA-N 1 2 296.331 -1.498 20 0 CAADLO C[C@@H](CNC(=O)CNC(N)=O)NC(=O)Cn1cc[nH+]c1 ZINC001416909713 890132927 /nfs/dbraw/zinc/13/29/27/890132927.db2.gz NBCRJMKYJQOFPT-QMMMGPOBSA-N 1 2 282.304 -1.828 20 0 CAADLO C[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)NC(=O)[C@H]1COC(=O)N1 ZINC001416890650 890133292 /nfs/dbraw/zinc/13/32/92/890133292.db2.gz SSYQJENGKMRSGZ-IONNQARKSA-N 1 2 295.299 -1.319 20 0 CAADLO NS(=O)(=O)CCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001417613101 890145204 /nfs/dbraw/zinc/14/52/04/890145204.db2.gz SMQIXOXOMUMXHU-MRVPVSSYSA-N 1 2 272.330 -1.150 20 0 CAADLO O=C(Cn1ncnn1)NC1CC[NH+]([C@@H]2CCOC2=O)CC1 ZINC001417687941 890158074 /nfs/dbraw/zinc/15/80/74/890158074.db2.gz GJSWGQCSABDJLZ-SNVBAGLBSA-N 1 2 294.315 -1.431 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H](C)CC(N)=O ZINC001417745454 890168004 /nfs/dbraw/zinc/16/80/04/890168004.db2.gz UZFAQKYFTXYXHK-NXEZZACHSA-N 1 2 284.360 -1.223 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H](C)CC(N)=O ZINC001417745454 890168011 /nfs/dbraw/zinc/16/80/11/890168011.db2.gz UZFAQKYFTXYXHK-NXEZZACHSA-N 1 2 284.360 -1.223 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)C[C@H]1CCC(=O)N1 ZINC001417747740 890168843 /nfs/dbraw/zinc/16/88/43/890168843.db2.gz IKMJCMBFYBBYRQ-GHMZBOCLSA-N 1 2 296.371 -1.066 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)C[C@H]1CCC(=O)N1 ZINC001417747740 890168856 /nfs/dbraw/zinc/16/88/56/890168856.db2.gz IKMJCMBFYBBYRQ-GHMZBOCLSA-N 1 2 296.371 -1.066 20 0 CAADLO CN(C[C@H]1CC[N@@H+]1[C@H]1CCNC1=O)C(=O)Cn1cncn1 ZINC001417743211 890168968 /nfs/dbraw/zinc/16/89/68/890168968.db2.gz IOQFFQXNXPQXIN-MNOVXSKESA-N 1 2 292.343 -1.301 20 0 CAADLO CN(C[C@H]1CC[N@H+]1[C@H]1CCNC1=O)C(=O)Cn1cncn1 ZINC001417743211 890168978 /nfs/dbraw/zinc/16/89/78/890168978.db2.gz IOQFFQXNXPQXIN-MNOVXSKESA-N 1 2 292.343 -1.301 20 0 CAADLO C[C@@H]1[C@@H](NC(=O)[C@H]2CCCO2)CC[N@@H+]1CC(=O)NC(N)=O ZINC001417835906 890173761 /nfs/dbraw/zinc/17/37/61/890173761.db2.gz DGRCMWUEDLPLIE-KXUCPTDWSA-N 1 2 298.343 -1.061 20 0 CAADLO C[C@@H]1[C@@H](NC(=O)[C@H]2CCCO2)CC[N@H+]1CC(=O)NC(N)=O ZINC001417835906 890173765 /nfs/dbraw/zinc/17/37/65/890173765.db2.gz DGRCMWUEDLPLIE-KXUCPTDWSA-N 1 2 298.343 -1.061 20 0 CAADLO NC(=O)N[C@@H](CO)C(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC001417869110 890173825 /nfs/dbraw/zinc/17/38/25/890173825.db2.gz XHJXZWTTYJUJSY-AEJSXWLSSA-N 1 2 286.332 -2.005 20 0 CAADLO NC(=O)N[C@@H](CO)C(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC001417869110 890173827 /nfs/dbraw/zinc/17/38/27/890173827.db2.gz XHJXZWTTYJUJSY-AEJSXWLSSA-N 1 2 286.332 -2.005 20 0 CAADLO Cc1[nH+]c[nH]c1CC(=O)NC[C@@]1(O)CCS(=O)(=O)C1 ZINC001417868332 890174127 /nfs/dbraw/zinc/17/41/27/890174127.db2.gz FQCWKZHNULRTLN-NSHDSACASA-N 1 2 287.341 -1.074 20 0 CAADLO CC(=O)N[C@@H](CC(=O)N1CCn2c[nH+]cc2C1)C(N)=O ZINC001417888478 890177052 /nfs/dbraw/zinc/17/70/52/890177052.db2.gz SEPVRLJZEIVESD-JTQLQIEISA-N 1 2 279.300 -1.395 20 0 CAADLO C[C@@H](C(=O)NC(N)=O)[N@@H+]1CC[C@H](NC(=O)c2ccn[nH]2)C1 ZINC001417933341 890178457 /nfs/dbraw/zinc/17/84/57/890178457.db2.gz GNPXZVIDYGWUNK-YUMQZZPRSA-N 1 2 294.315 -1.203 20 0 CAADLO C[C@@H](C(=O)NC(N)=O)[N@H+]1CC[C@H](NC(=O)c2ccn[nH]2)C1 ZINC001417933341 890178465 /nfs/dbraw/zinc/17/84/65/890178465.db2.gz GNPXZVIDYGWUNK-YUMQZZPRSA-N 1 2 294.315 -1.203 20 0 CAADLO C[C@H](C(N)=O)[NH+]1CCN(CCNC(=O)c2ccn[nH]2)CC1 ZINC001417915134 890178621 /nfs/dbraw/zinc/17/86/21/890178621.db2.gz CEKOWORXSRTKLZ-SNVBAGLBSA-N 1 2 294.359 -1.369 20 0 CAADLO CNC(=O)NCC(=O)NCC[NH+]1CCN(CCF)CC1 ZINC001417920742 890178915 /nfs/dbraw/zinc/17/89/15/890178915.db2.gz HQDAEECQFPUALF-UHFFFAOYSA-N 1 2 289.355 -1.381 20 0 CAADLO C[C@H](C(=O)NC(N)=O)[N@@H+]1CC[C@@H](NC(=O)c2ccn[nH]2)C1 ZINC001417933336 890178983 /nfs/dbraw/zinc/17/89/83/890178983.db2.gz GNPXZVIDYGWUNK-HTQZYQBOSA-N 1 2 294.315 -1.203 20 0 CAADLO C[C@H](C(=O)NC(N)=O)[N@H+]1CC[C@@H](NC(=O)c2ccn[nH]2)C1 ZINC001417933336 890178990 /nfs/dbraw/zinc/17/89/90/890178990.db2.gz GNPXZVIDYGWUNK-HTQZYQBOSA-N 1 2 294.315 -1.203 20 0 CAADLO CCC(=O)NCC(=O)N[C@H]1CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001417935054 890180115 /nfs/dbraw/zinc/18/01/15/890180115.db2.gz ATFUQXYFSIAERS-QMMMGPOBSA-N 1 2 299.331 -2.102 20 0 CAADLO CCC(=O)NCC(=O)N[C@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001417935054 890180128 /nfs/dbraw/zinc/18/01/28/890180128.db2.gz ATFUQXYFSIAERS-QMMMGPOBSA-N 1 2 299.331 -2.102 20 0 CAADLO CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCC(=O)NC2)C1 ZINC001417937521 890181557 /nfs/dbraw/zinc/18/15/57/890181557.db2.gz CXGLQFOGGZTGTR-WDEREUQCSA-N 1 2 296.371 -1.161 20 0 CAADLO CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CCC(=O)NC2)C1 ZINC001417937521 890181562 /nfs/dbraw/zinc/18/15/62/890181562.db2.gz CXGLQFOGGZTGTR-WDEREUQCSA-N 1 2 296.371 -1.161 20 0 CAADLO CCC[C@@H](NC(N)=O)C(=O)N[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001417947547 890182059 /nfs/dbraw/zinc/18/20/59/890182059.db2.gz RRVAYXTUKAEGCV-DTWKUNHWSA-N 1 2 285.348 -1.501 20 0 CAADLO CCC[C@@H](NC(N)=O)C(=O)N[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001417947547 890182065 /nfs/dbraw/zinc/18/20/65/890182065.db2.gz RRVAYXTUKAEGCV-DTWKUNHWSA-N 1 2 285.348 -1.501 20 0 CAADLO CC(=O)N[C@H](C)C(=O)N[C@H]1C[C@@H]([NH2+]Cc2nnn(C)n2)C1 ZINC001418084348 890190207 /nfs/dbraw/zinc/19/02/07/890190207.db2.gz PTQAUXPZMYVGAH-QNSHHTMESA-N 1 2 295.347 -1.529 20 0 CAADLO CC(=O)N[C@@H](C)C(=O)NC[C@H]1CCCC[N@@H+]1CC(N)=O ZINC001418153704 890193216 /nfs/dbraw/zinc/19/32/16/890193216.db2.gz SDQPTQSMZVSJMY-GXSJLCMTSA-N 1 2 284.360 -1.033 20 0 CAADLO CC(=O)N[C@@H](C)C(=O)NC[C@H]1CCCC[N@H+]1CC(N)=O ZINC001418153704 890193227 /nfs/dbraw/zinc/19/32/27/890193227.db2.gz SDQPTQSMZVSJMY-GXSJLCMTSA-N 1 2 284.360 -1.033 20 0 CAADLO COC[C@@H](C)C(=O)NC[C@H](C)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001418199224 890195626 /nfs/dbraw/zinc/19/56/26/890195626.db2.gz DNWBMZYUGVWTTA-BDAKNGLRSA-N 1 2 285.348 -1.015 20 0 CAADLO CN(C)C(=O)C[NH2+]C[C@@H]1CCN(C(=O)Cc2ncn[nH]2)C1 ZINC001418366252 890212927 /nfs/dbraw/zinc/21/29/27/890212927.db2.gz ZNWBYPYHKNGLNB-JTQLQIEISA-N 1 2 294.359 -1.127 20 0 CAADLO Cn1[nH]c(C[N@H+](C)CCNC(=O)[C@H]2CCCO2)nc1=O ZINC001418435874 890215831 /nfs/dbraw/zinc/21/58/31/890215831.db2.gz PUICLIUTRXGZFH-SECBINFHSA-N 1 2 283.332 -1.165 20 0 CAADLO Cn1[nH]c(C[N@@H+](C)CCNC(=O)[C@H]2CCCO2)nc1=O ZINC001418435874 890215849 /nfs/dbraw/zinc/21/58/49/890215849.db2.gz PUICLIUTRXGZFH-SECBINFHSA-N 1 2 283.332 -1.165 20 0 CAADLO COCCC(=O)NCC[N@H+](C)Cc1nc(=O)n(C)[nH]1 ZINC001418435072 890216062 /nfs/dbraw/zinc/21/60/62/890216062.db2.gz UFYBUAPGIBDOJJ-UHFFFAOYSA-N 1 2 271.321 -1.307 20 0 CAADLO COCCC(=O)NCC[N@@H+](C)Cc1nc(=O)n(C)[nH]1 ZINC001418435072 890216080 /nfs/dbraw/zinc/21/60/80/890216080.db2.gz UFYBUAPGIBDOJJ-UHFFFAOYSA-N 1 2 271.321 -1.307 20 0 CAADLO Cn1[nH]c(C[N@H+](C)CCNC(=O)[C@@H]2CCCO2)nc1=O ZINC001418435876 890216518 /nfs/dbraw/zinc/21/65/18/890216518.db2.gz PUICLIUTRXGZFH-VIFPVBQESA-N 1 2 283.332 -1.165 20 0 CAADLO Cn1[nH]c(C[N@@H+](C)CCNC(=O)[C@@H]2CCCO2)nc1=O ZINC001418435876 890216535 /nfs/dbraw/zinc/21/65/35/890216535.db2.gz PUICLIUTRXGZFH-VIFPVBQESA-N 1 2 283.332 -1.165 20 0 CAADLO NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001418447808 890220726 /nfs/dbraw/zinc/22/07/26/890220726.db2.gz QZCYSRCFJOHVGD-GDPRMGEGSA-N 1 2 278.312 -1.107 20 0 CAADLO CNC(=O)[C@H](C)[N@H+](C)CCNC(=O)Cc1n[nH]c(C)n1 ZINC001418457352 890221964 /nfs/dbraw/zinc/22/19/64/890221964.db2.gz UDVIRGIZGNJUOR-QMMMGPOBSA-N 1 2 282.348 -1.162 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)Cc1n[nH]c(C)n1 ZINC001418457352 890221981 /nfs/dbraw/zinc/22/19/81/890221981.db2.gz UDVIRGIZGNJUOR-QMMMGPOBSA-N 1 2 282.348 -1.162 20 0 CAADLO CNC(=O)C[N@H+](C)CCNC(=O)c1cn(CCOC)nn1 ZINC001418461480 890222523 /nfs/dbraw/zinc/22/25/23/890222523.db2.gz KFNWEIMKUKLGAV-UHFFFAOYSA-N 1 2 298.347 -1.668 20 0 CAADLO CNC(=O)C[N@@H+](C)CCNC(=O)c1cn(CCOC)nn1 ZINC001418461480 890222536 /nfs/dbraw/zinc/22/25/36/890222536.db2.gz KFNWEIMKUKLGAV-UHFFFAOYSA-N 1 2 298.347 -1.668 20 0 CAADLO CC[C@H](C)NC(=O)C[N@H+](C)CCNC(=O)[C@@H]1CNC(=O)N1 ZINC001418493309 890224592 /nfs/dbraw/zinc/22/45/92/890224592.db2.gz FSEBVJRXRPYHBF-UWVGGRQHSA-N 1 2 299.375 -1.370 20 0 CAADLO CC[C@H](C)NC(=O)C[N@@H+](C)CCNC(=O)[C@@H]1CNC(=O)N1 ZINC001418493309 890224610 /nfs/dbraw/zinc/22/46/10/890224610.db2.gz FSEBVJRXRPYHBF-UWVGGRQHSA-N 1 2 299.375 -1.370 20 0 CAADLO CNC(=O)C[N@H+](C)CCNC(=O)C[C@@H]1CCNC1=O ZINC001418469736 890225482 /nfs/dbraw/zinc/22/54/82/890225482.db2.gz ZEMHBUYMHIBQFA-VIFPVBQESA-N 1 2 270.333 -1.693 20 0 CAADLO CNC(=O)C[N@@H+](C)CCNC(=O)C[C@@H]1CCNC1=O ZINC001418469736 890225500 /nfs/dbraw/zinc/22/55/00/890225500.db2.gz ZEMHBUYMHIBQFA-VIFPVBQESA-N 1 2 270.333 -1.693 20 0 CAADLO COc1cc(=O)[nH]cc1C(=O)NCC[N@H+](C)CC(N)=O ZINC001418494085 890226049 /nfs/dbraw/zinc/22/60/49/890226049.db2.gz BTVHJTOPRNNVJW-UHFFFAOYSA-N 1 2 282.300 -1.057 20 0 CAADLO COc1cc(=O)[nH]cc1C(=O)NCC[N@@H+](C)CC(N)=O ZINC001418494085 890226064 /nfs/dbraw/zinc/22/60/64/890226064.db2.gz BTVHJTOPRNNVJW-UHFFFAOYSA-N 1 2 282.300 -1.057 20 0 CAADLO CNC(=O)C[N@@H+](C)CCNC(=O)CN1CCOCC1=O ZINC001418466140 890226902 /nfs/dbraw/zinc/22/69/02/890226902.db2.gz XCBMRMJRZNZCIP-UHFFFAOYSA-N 1 2 286.332 -2.361 20 0 CAADLO CNC(=O)C[N@H+](C)CCNC(=O)C[C@H]1CCNC1=O ZINC001418469732 890226715 /nfs/dbraw/zinc/22/67/15/890226715.db2.gz ZEMHBUYMHIBQFA-SECBINFHSA-N 1 2 270.333 -1.693 20 0 CAADLO CNC(=O)C[N@@H+](C)CCNC(=O)C[C@H]1CCNC1=O ZINC001418469732 890226724 /nfs/dbraw/zinc/22/67/24/890226724.db2.gz ZEMHBUYMHIBQFA-SECBINFHSA-N 1 2 270.333 -1.693 20 0 CAADLO CNC(=O)C[N@H+](C)CCNC(=O)CN1CCOCC1=O ZINC001418466140 890226890 /nfs/dbraw/zinc/22/68/90/890226890.db2.gz XCBMRMJRZNZCIP-UHFFFAOYSA-N 1 2 286.332 -2.361 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)CCc1cn[nH]n1 ZINC001418495258 890227678 /nfs/dbraw/zinc/22/76/78/890227678.db2.gz LAOBZCXEVCZHEG-SECBINFHSA-N 1 2 282.348 -1.080 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)CCc1cn[nH]n1 ZINC001418495258 890227695 /nfs/dbraw/zinc/22/76/95/890227695.db2.gz LAOBZCXEVCZHEG-SECBINFHSA-N 1 2 282.348 -1.080 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)CCc1c[nH]nn1 ZINC001418495258 890227708 /nfs/dbraw/zinc/22/77/08/890227708.db2.gz LAOBZCXEVCZHEG-SECBINFHSA-N 1 2 282.348 -1.080 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)CCc1c[nH]nn1 ZINC001418495258 890227725 /nfs/dbraw/zinc/22/77/25/890227725.db2.gz LAOBZCXEVCZHEG-SECBINFHSA-N 1 2 282.348 -1.080 20 0 CAADLO C[N@H+](CCNC(=O)[C@H]1CCCc2nn[nH]c21)CC(N)=O ZINC001418491186 890228264 /nfs/dbraw/zinc/22/82/64/890228264.db2.gz WKJCZAVJKOAQCK-QMMMGPOBSA-N 1 2 280.332 -1.242 20 0 CAADLO C[N@@H+](CCNC(=O)[C@H]1CCCc2nn[nH]c21)CC(N)=O ZINC001418491186 890228278 /nfs/dbraw/zinc/22/82/78/890228278.db2.gz WKJCZAVJKOAQCK-QMMMGPOBSA-N 1 2 280.332 -1.242 20 0 CAADLO CC[C@@H](C)NC(=O)C[N@H+](C)CCNC(=O)[C@H]1CNC(=O)N1 ZINC001418493308 890228393 /nfs/dbraw/zinc/22/83/93/890228393.db2.gz FSEBVJRXRPYHBF-NXEZZACHSA-N 1 2 299.375 -1.370 20 0 CAADLO CC[C@@H](C)NC(=O)C[N@@H+](C)CCNC(=O)[C@H]1CNC(=O)N1 ZINC001418493308 890228406 /nfs/dbraw/zinc/22/84/06/890228406.db2.gz FSEBVJRXRPYHBF-NXEZZACHSA-N 1 2 299.375 -1.370 20 0 CAADLO CN1CC[C@H]([N@H+](C)CCNC(=O)Cc2nnc[nH]2)C1=O ZINC001418510571 890231755 /nfs/dbraw/zinc/23/17/55/890231755.db2.gz BQKKLNPYOONXNR-VIFPVBQESA-N 1 2 280.332 -1.374 20 0 CAADLO CN1CC[C@H]([N@@H+](C)CCNC(=O)Cc2nnc[nH]2)C1=O ZINC001418510571 890231773 /nfs/dbraw/zinc/23/17/73/890231773.db2.gz BQKKLNPYOONXNR-VIFPVBQESA-N 1 2 280.332 -1.374 20 0 CAADLO CN(CCNC(=O)Cn1cc[nH+]c1)Cc1nnnn1C ZINC001418527343 890239842 /nfs/dbraw/zinc/23/98/42/890239842.db2.gz KGCYORUKMFWUFV-UHFFFAOYSA-N 1 2 278.320 -1.345 20 0 CAADLO C[C@H](C(=O)NC(N)=O)[N@H+]1C[C@@H](NC(=O)CC2CC2)[C@@H](O)C1 ZINC001418540373 890240748 /nfs/dbraw/zinc/24/07/48/890240748.db2.gz IHKPRKGATSWJOM-QNSHHTMESA-N 1 2 298.343 -1.469 20 0 CAADLO C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H](NC(=O)CC2CC2)[C@@H](O)C1 ZINC001418540373 890240767 /nfs/dbraw/zinc/24/07/67/890240767.db2.gz IHKPRKGATSWJOM-QNSHHTMESA-N 1 2 298.343 -1.469 20 0 CAADLO C[C@H](C(=O)N1C[C@H](C(N)=O)[C@H](C(N)=O)C1)n1cc[nH+]c1 ZINC001418592125 890242773 /nfs/dbraw/zinc/24/27/73/890242773.db2.gz QGDKCZVKZGNXTM-HLTSFMKQSA-N 1 2 279.300 -1.511 20 0 CAADLO C[C@@H](C(=O)N1C[C@H](C(N)=O)[C@H](C(N)=O)C1)n1cc[nH+]c1 ZINC001418592141 890245174 /nfs/dbraw/zinc/24/51/74/890245174.db2.gz QGDKCZVKZGNXTM-XHNCKOQMSA-N 1 2 279.300 -1.511 20 0 CAADLO CCS(=O)(=O)CC(=O)NC[C@@H]1CCC[N@@H+]1CCO ZINC001418637130 890249048 /nfs/dbraw/zinc/24/90/48/890249048.db2.gz IALNOESFEAEXAG-JTQLQIEISA-N 1 2 278.374 -1.006 20 0 CAADLO CCS(=O)(=O)CC(=O)NC[C@@H]1CCC[N@H+]1CCO ZINC001418637130 890249066 /nfs/dbraw/zinc/24/90/66/890249066.db2.gz IALNOESFEAEXAG-JTQLQIEISA-N 1 2 278.374 -1.006 20 0 CAADLO O=C(N[C@@H]1CS(=O)(=O)C[C@H]1O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001418778066 890261832 /nfs/dbraw/zinc/26/18/32/890261832.db2.gz XBACNMNEXRNLLE-FBIMIBRVSA-N 1 2 299.352 -1.280 20 0 CAADLO CCCN(C(=O)[C@H]1CNC(=O)N1)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001418872000 890269401 /nfs/dbraw/zinc/26/94/01/890269401.db2.gz CJIGEFVGJWFBGD-VHSXEESVSA-N 1 2 297.359 -1.534 20 0 CAADLO CCCN(C(=O)[C@H]1CNC(=O)N1)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001418872000 890269416 /nfs/dbraw/zinc/26/94/16/890269416.db2.gz CJIGEFVGJWFBGD-VHSXEESVSA-N 1 2 297.359 -1.534 20 0 CAADLO CCCN(C(=O)[C@H]1C[C@H]1C(N)=O)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001418874045 890270160 /nfs/dbraw/zinc/27/01/60/890270160.db2.gz KMTWLGJJERRFFS-MXWKQRLJSA-N 1 2 296.371 -1.094 20 0 CAADLO CCCN(C(=O)[C@H]1C[C@H]1C(N)=O)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001418874045 890270177 /nfs/dbraw/zinc/27/01/77/890270177.db2.gz KMTWLGJJERRFFS-MXWKQRLJSA-N 1 2 296.371 -1.094 20 0 CAADLO C[C@H](NC(N)=O)C(=O)N[C@@H]1CCC[N@@H+]([C@@H](C)C(N)=O)C1 ZINC001418950072 890274419 /nfs/dbraw/zinc/27/44/19/890274419.db2.gz AYWDBPZTNADIDC-XHNCKOQMSA-N 1 2 285.348 -1.502 20 0 CAADLO C[C@H](NC(N)=O)C(=O)N[C@@H]1CCC[N@H+]([C@@H](C)C(N)=O)C1 ZINC001418950072 890274434 /nfs/dbraw/zinc/27/44/34/890274434.db2.gz AYWDBPZTNADIDC-XHNCKOQMSA-N 1 2 285.348 -1.502 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(NC(=O)CNC(=O)OC)C1 ZINC001418967286 890278036 /nfs/dbraw/zinc/27/80/36/890278036.db2.gz LZWYKPFITJXEHE-VIFPVBQESA-N 1 2 275.305 -1.850 20 0 CAADLO COC[C@H](O)C[NH+]1CC(NC(=O)[C@@H](C)n2cncn2)C1 ZINC001418967333 890278590 /nfs/dbraw/zinc/27/85/90/890278590.db2.gz XITFXKHDEOJMMO-MWLCHTKSSA-N 1 2 283.332 -1.353 20 0 CAADLO COC[C@H](O)C[NH+]1CC(NC(=O)c2cc(OC)ncn2)C1 ZINC001418972778 890280103 /nfs/dbraw/zinc/28/01/03/890280103.db2.gz RYPWEGBMXGMABX-SNVBAGLBSA-N 1 2 296.327 -1.094 20 0 CAADLO COC[C@H](O)C[NH+]1CC(NC(=O)C[C@H]2CCN(C)C2=O)C1 ZINC001418977292 890281172 /nfs/dbraw/zinc/28/11/72/890281172.db2.gz FXJFYZFMBJSJNL-ZYHUDNBSSA-N 1 2 299.371 -1.338 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(NC(=O)C[C@H]2CCN(C)C2=O)C1 ZINC001418977291 890281798 /nfs/dbraw/zinc/28/17/98/890281798.db2.gz FXJFYZFMBJSJNL-PWSUYJOCSA-N 1 2 299.371 -1.338 20 0 CAADLO COCC[NH+]1CC(NC(=O)CCCS(N)(=O)=O)C1 ZINC001418982583 890284213 /nfs/dbraw/zinc/28/42/13/890284213.db2.gz DGGBYGWCHLOENS-UHFFFAOYSA-N 1 2 279.362 -1.498 20 0 CAADLO COCCC(=O)NCC1C[NH+]([C@H](C)C(=O)NC(N)=O)C1 ZINC001419004345 890284801 /nfs/dbraw/zinc/28/48/01/890284801.db2.gz SLWBYGNSUGBXLO-MRVPVSSYSA-N 1 2 286.332 -1.346 20 0 CAADLO COCCC(=O)NCC1C[NH+]([C@@H](C)C(=O)NC(N)=O)C1 ZINC001419004347 890285263 /nfs/dbraw/zinc/28/52/63/890285263.db2.gz SLWBYGNSUGBXLO-QMMMGPOBSA-N 1 2 286.332 -1.346 20 0 CAADLO O=C(CCn1cncn1)NCC1C[NH+]([C@H]2CCNC2=O)C1 ZINC001419010892 890285572 /nfs/dbraw/zinc/28/55/72/890285572.db2.gz VSNCWAKSNBNYQJ-NSHDSACASA-N 1 2 292.343 -1.395 20 0 CAADLO CO[C@@H](C)C[NH+]1CC(NC(=O)CS(=O)(=O)N(C)C)C1 ZINC001419006723 890286253 /nfs/dbraw/zinc/28/62/53/890286253.db2.gz IKKDEJGOSSWPQV-VIFPVBQESA-N 1 2 293.389 -1.287 20 0 CAADLO C[C@H](C(=O)NCC1C[NH+](CC(=O)N(C)C)C1)n1cncn1 ZINC001419017620 890288461 /nfs/dbraw/zinc/28/84/61/890288461.db2.gz ORMUMRBGMRLZSS-SNVBAGLBSA-N 1 2 294.359 -1.025 20 0 CAADLO CO[C@H](C(=O)NCC1C[NH+](CC(=O)NC(N)=O)C1)C1CC1 ZINC001419018817 890288853 /nfs/dbraw/zinc/28/88/53/890288853.db2.gz ZRSGWKVSRXKPJR-NSHDSACASA-N 1 2 298.343 -1.346 20 0 CAADLO CNC(=O)NC(=O)C[NH+]1CC(CNC(=O)[C@@H]2CCOC2)C1 ZINC001419014358 890288983 /nfs/dbraw/zinc/28/89/83/890288983.db2.gz VTNVTAFCEFOSNT-SNVBAGLBSA-N 1 2 298.343 -1.474 20 0 CAADLO COC[C@@H](OC)C(=O)NCC1C[NH+](CC(=O)N(C)C)C1 ZINC001419031249 890289139 /nfs/dbraw/zinc/28/91/39/890289139.db2.gz KLDBUQQHPBWKOA-LLVKDONJSA-N 1 2 287.360 -1.216 20 0 CAADLO CCC(=O)N[C@H](C)C(=O)NCC1C[NH+]([C@@H](C)C(N)=O)C1 ZINC001419022756 890289188 /nfs/dbraw/zinc/28/91/88/890289188.db2.gz VADASEBJGDVDNQ-BDAKNGLRSA-N 1 2 284.360 -1.177 20 0 CAADLO C[C@@H](C(=O)NCC1C[NH+](CC(=O)N(C)C)C1)n1cncn1 ZINC001419017617 890289228 /nfs/dbraw/zinc/28/92/28/890289228.db2.gz ORMUMRBGMRLZSS-JTQLQIEISA-N 1 2 294.359 -1.025 20 0 CAADLO CCC(=O)N[C@@H](C)C(=O)NCC1C[NH+]([C@H](C)C(N)=O)C1 ZINC001419022760 890289247 /nfs/dbraw/zinc/28/92/47/890289247.db2.gz VADASEBJGDVDNQ-DTWKUNHWSA-N 1 2 284.360 -1.177 20 0 CAADLO CC[C@H](NC(C)=O)C(=O)NCC1C[NH+]([C@@H](C)C(N)=O)C1 ZINC001419034796 890290491 /nfs/dbraw/zinc/29/04/91/890290491.db2.gz DLDJHNZNXHRJNG-KWQFWETISA-N 1 2 284.360 -1.177 20 0 CAADLO CCNC(=O)C[NH+]1CC(CNC(=O)c2cnc[nH]c2=O)C1 ZINC001419019706 890290566 /nfs/dbraw/zinc/29/05/66/890290566.db2.gz MIRAFVAYIRJWKL-UHFFFAOYSA-N 1 2 293.327 -1.020 20 0 CAADLO Cn1nnnc1CN1CC(CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001419031325 890291063 /nfs/dbraw/zinc/29/10/63/890291063.db2.gz FADTXZFEBBWCAH-UHFFFAOYSA-N 1 2 290.331 -1.276 20 0 CAADLO CNC(=O)C[NH+]1CC(CNC(=O)C[C@H]2CCCC(=O)N2)C1 ZINC001419021473 890291315 /nfs/dbraw/zinc/29/13/15/890291315.db2.gz GMFVFSWZIRYQTB-LLVKDONJSA-N 1 2 296.371 -1.161 20 0 CAADLO CC[C@H](NC(C)=O)C(=O)NCC1C[NH+]([C@H](C)C(N)=O)C1 ZINC001419034795 890291483 /nfs/dbraw/zinc/29/14/83/890291483.db2.gz DLDJHNZNXHRJNG-KCJUWKMLSA-N 1 2 284.360 -1.177 20 0 CAADLO CC[C@@H](NC(C)=O)C(=O)NCC1C[NH+]([C@H](C)C(N)=O)C1 ZINC001419035066 890292215 /nfs/dbraw/zinc/29/22/15/890292215.db2.gz DLDJHNZNXHRJNG-LDYMZIIASA-N 1 2 284.360 -1.177 20 0 CAADLO CCCC[C@@H](NC(N)=O)C(=O)NCC1C[NH+](CC(N)=O)C1 ZINC001419049080 890292790 /nfs/dbraw/zinc/29/27/90/890292790.db2.gz UPFBEVLXDWSIJY-SNVBAGLBSA-N 1 2 299.375 -1.253 20 0 CAADLO CC[C@@H](C(N)=O)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)NC(N)=O ZINC001419049359 890293091 /nfs/dbraw/zinc/29/30/91/890293091.db2.gz PGMPHPBXFDPDTQ-XKNYDFJKSA-N 1 2 297.359 -1.408 20 0 CAADLO CC[C@@H](C(N)=O)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)NC(N)=O ZINC001419049359 890293107 /nfs/dbraw/zinc/29/31/07/890293107.db2.gz PGMPHPBXFDPDTQ-XKNYDFJKSA-N 1 2 297.359 -1.408 20 0 CAADLO NC(=O)CCCC(=O)NCC1C[NH+](CC(=O)NC2CC2)C1 ZINC001419046575 890293778 /nfs/dbraw/zinc/29/37/78/890293778.db2.gz FPTWHRVOKYSTGR-UHFFFAOYSA-N 1 2 296.371 -1.031 20 0 CAADLO CCCNC(=O)C[NH+]1CC(CNC(=O)Cc2nc[nH]n2)C1 ZINC001419041512 890293833 /nfs/dbraw/zinc/29/38/33/890293833.db2.gz VMDOPFMVSGTLLC-UHFFFAOYSA-N 1 2 294.359 -1.079 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)C(C)(C)NC(C)=O)C1 ZINC001419065250 890294346 /nfs/dbraw/zinc/29/43/46/890294346.db2.gz VLLAADYZJWLZAK-JTQLQIEISA-N 1 2 284.360 -1.162 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)C(C)(C)NC(C)=O)C1 ZINC001419065250 890294360 /nfs/dbraw/zinc/29/43/60/890294360.db2.gz VLLAADYZJWLZAK-JTQLQIEISA-N 1 2 284.360 -1.162 20 0 CAADLO CC[C@@H](NC(C)=O)C(=O)NCC1C[NH+]([C@H]2CCNC2=O)C1 ZINC001419039605 890294394 /nfs/dbraw/zinc/29/43/94/890294394.db2.gz RYEHQYUAEJOJDK-NEPJUHHUSA-N 1 2 296.371 -1.162 20 0 CAADLO CC[C@@H](NC(C)=O)C(=O)NCC1C[NH+]([C@@H]2CCNC2=O)C1 ZINC001419039787 890295942 /nfs/dbraw/zinc/29/59/42/890295942.db2.gz RYEHQYUAEJOJDK-VXGBXAGGSA-N 1 2 296.371 -1.162 20 0 CAADLO NC(=O)CCCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@@H]1CCNC1=O ZINC001419053315 890296437 /nfs/dbraw/zinc/29/64/37/890296437.db2.gz AXXVEFGZYLKGRI-GARJFASQSA-N 1 2 294.355 -1.184 20 0 CAADLO NC(=O)CCCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2[C@@H]1CCNC1=O ZINC001419053315 890296457 /nfs/dbraw/zinc/29/64/57/890296457.db2.gz AXXVEFGZYLKGRI-GARJFASQSA-N 1 2 294.355 -1.184 20 0 CAADLO CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2nnn(C)n2)C1 ZINC001419064014 890296534 /nfs/dbraw/zinc/29/65/34/890296534.db2.gz XQIKVZTUMOVEEO-QMMMGPOBSA-N 1 2 281.320 -1.850 20 0 CAADLO CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2nnn(C)n2)C1 ZINC001419064014 890296552 /nfs/dbraw/zinc/29/65/52/890296552.db2.gz XQIKVZTUMOVEEO-QMMMGPOBSA-N 1 2 281.320 -1.850 20 0 CAADLO CC[C@H](C(N)=O)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)NC(N)=O ZINC001419049358 890296588 /nfs/dbraw/zinc/29/65/88/890296588.db2.gz PGMPHPBXFDPDTQ-AATLWQCWSA-N 1 2 297.359 -1.408 20 0 CAADLO CC[C@H](C(N)=O)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)NC(N)=O ZINC001419049358 890296604 /nfs/dbraw/zinc/29/66/04/890296604.db2.gz PGMPHPBXFDPDTQ-AATLWQCWSA-N 1 2 297.359 -1.408 20 0 CAADLO Cn1ccnc1COCC(=O)N[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001419061692 890296735 /nfs/dbraw/zinc/29/67/35/890296735.db2.gz PEPPBMGQECRAKJ-JTQLQIEISA-N 1 2 295.343 -1.388 20 0 CAADLO Cn1ccnc1COCC(=O)N[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001419061692 890296755 /nfs/dbraw/zinc/29/67/55/890296755.db2.gz PEPPBMGQECRAKJ-JTQLQIEISA-N 1 2 295.343 -1.388 20 0 CAADLO CC[NH+]1CCN(CCNC(=O)CS(C)(=O)=O)CC1 ZINC001419107158 890297515 /nfs/dbraw/zinc/29/75/15/890297515.db2.gz ZMTDRJYTUPOWGA-UHFFFAOYSA-N 1 2 277.390 -1.215 20 0 CAADLO NC(=O)NC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ncc[nH]2)C1 ZINC001419082285 890297562 /nfs/dbraw/zinc/29/75/62/890297562.db2.gz OZEUKQPVYBUYDG-SSDOTTSWSA-N 1 2 280.288 -1.591 20 0 CAADLO NC(=O)NC(=O)C[N@H+]1CC[C@@H](NC(=O)c2ncc[nH]2)C1 ZINC001419082285 890297577 /nfs/dbraw/zinc/29/75/77/890297577.db2.gz OZEUKQPVYBUYDG-SSDOTTSWSA-N 1 2 280.288 -1.591 20 0 CAADLO CNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C)NC(C)=O)C1 ZINC001419088130 890298045 /nfs/dbraw/zinc/29/80/45/890298045.db2.gz KZNWOSHISNMFRS-MWLCHTKSSA-N 1 2 284.360 -1.162 20 0 CAADLO CNC(=O)C[N@H+]1CCC[C@@H](NC(=O)[C@@H](C)NC(C)=O)C1 ZINC001419088130 890298061 /nfs/dbraw/zinc/29/80/61/890298061.db2.gz KZNWOSHISNMFRS-MWLCHTKSSA-N 1 2 284.360 -1.162 20 0 CAADLO CCCNC(=O)CCC(=O)N[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001419069747 890298361 /nfs/dbraw/zinc/29/83/61/890298361.db2.gz BWNWCGFKXVWWCD-JTQLQIEISA-N 1 2 284.360 -1.031 20 0 CAADLO CCCNC(=O)CCC(=O)N[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001419069747 890298367 /nfs/dbraw/zinc/29/83/67/890298367.db2.gz BWNWCGFKXVWWCD-JTQLQIEISA-N 1 2 284.360 -1.031 20 0 CAADLO NC(=O)NC(=O)C[N@@H+]1CC[C@@H](NC(=O)C2CCOCC2)C1 ZINC001419070706 890298613 /nfs/dbraw/zinc/29/86/13/890298613.db2.gz SCWOVBZIJZXBGU-SNVBAGLBSA-N 1 2 298.343 -1.202 20 0 CAADLO NC(=O)NC(=O)C[N@H+]1CC[C@@H](NC(=O)C2CCOCC2)C1 ZINC001419070706 890298620 /nfs/dbraw/zinc/29/86/20/890298620.db2.gz SCWOVBZIJZXBGU-SNVBAGLBSA-N 1 2 298.343 -1.202 20 0 CAADLO CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001419097798 890299013 /nfs/dbraw/zinc/29/90/13/890299013.db2.gz XCBBDCYEIKLVOF-VHSXEESVSA-N 1 2 297.359 -1.616 20 0 CAADLO CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001419097798 890299032 /nfs/dbraw/zinc/29/90/32/890299032.db2.gz XCBBDCYEIKLVOF-VHSXEESVSA-N 1 2 297.359 -1.616 20 0 CAADLO COCC(=O)NCCN1CC[NH+]([C@@H](C)C(N)=O)CC1 ZINC001419105675 890299514 /nfs/dbraw/zinc/29/95/14/890299514.db2.gz QUAYFVPKCISXNM-JTQLQIEISA-N 1 2 272.349 -1.760 20 0 CAADLO CNC(=O)C[N@@H+]1CCC[C@H](NC(=O)[C@H](C)NC(C)=O)C1 ZINC001419088132 890300152 /nfs/dbraw/zinc/30/01/52/890300152.db2.gz KZNWOSHISNMFRS-ONGXEEELSA-N 1 2 284.360 -1.162 20 0 CAADLO CNC(=O)C[N@H+]1CCC[C@H](NC(=O)[C@H](C)NC(C)=O)C1 ZINC001419088132 890300169 /nfs/dbraw/zinc/30/01/69/890300169.db2.gz KZNWOSHISNMFRS-ONGXEEELSA-N 1 2 284.360 -1.162 20 0 CAADLO CCC(=O)NCC[NH+]1CCN(CC(=O)NC(N)=O)CC1 ZINC001419104038 890300683 /nfs/dbraw/zinc/30/06/83/890300683.db2.gz KDWVFLPNIBLMPN-UHFFFAOYSA-N 1 2 285.348 -1.675 20 0 CAADLO CC(=O)NCC(=O)N[C@@H]1CC[N@H+](CC(=O)NCC2CC2)C1 ZINC001419143572 890303280 /nfs/dbraw/zinc/30/32/80/890303280.db2.gz NIQMOWUAWTZFDS-GFCCVEGCSA-N 1 2 296.371 -1.161 20 0 CAADLO CC(=O)NCC(=O)N[C@@H]1CC[N@@H+](CC(=O)NCC2CC2)C1 ZINC001419143572 890303295 /nfs/dbraw/zinc/30/32/95/890303295.db2.gz NIQMOWUAWTZFDS-GFCCVEGCSA-N 1 2 296.371 -1.161 20 0 CAADLO CCN(C(=O)[C@H](C)NC(N)=O)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001419145061 890303408 /nfs/dbraw/zinc/30/34/08/890303408.db2.gz ANOMNDPAUWJWIJ-IUCAKERBSA-N 1 2 285.348 -1.549 20 0 CAADLO CCN(C(=O)[C@H](C)NC(N)=O)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001419145061 890303425 /nfs/dbraw/zinc/30/34/25/890303425.db2.gz ANOMNDPAUWJWIJ-IUCAKERBSA-N 1 2 285.348 -1.549 20 0 CAADLO NC(=O)NC(=O)C[N@@H+]1CC[C@@H](NC(=O)C[C@H]2CCCO2)C1 ZINC001419143376 890303654 /nfs/dbraw/zinc/30/36/54/890303654.db2.gz RHQKKXUTGRFMPJ-NXEZZACHSA-N 1 2 298.343 -1.059 20 0 CAADLO NC(=O)NC(=O)C[N@H+]1CC[C@@H](NC(=O)C[C@H]2CCCO2)C1 ZINC001419143376 890303670 /nfs/dbraw/zinc/30/36/70/890303670.db2.gz RHQKKXUTGRFMPJ-NXEZZACHSA-N 1 2 298.343 -1.059 20 0 CAADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H]1NC(=O)O[C@@H]1C ZINC001419137862 890304153 /nfs/dbraw/zinc/30/41/53/890304153.db2.gz OOPVUZUDDPENRW-YEPSODPASA-N 1 2 295.299 -1.320 20 0 CAADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H]1NC(=O)O[C@@H]1C ZINC001419137862 890304170 /nfs/dbraw/zinc/30/41/70/890304170.db2.gz OOPVUZUDDPENRW-YEPSODPASA-N 1 2 295.299 -1.320 20 0 CAADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CCNC(=O)OC ZINC001419134209 890304705 /nfs/dbraw/zinc/30/47/05/890304705.db2.gz FMEHPYCEYVGZHO-VIFPVBQESA-N 1 2 297.315 -1.071 20 0 CAADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CCNC(=O)OC ZINC001419134209 890304717 /nfs/dbraw/zinc/30/47/17/890304717.db2.gz FMEHPYCEYVGZHO-VIFPVBQESA-N 1 2 297.315 -1.071 20 0 CAADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)Cn1ncnn1 ZINC001419135342 890305131 /nfs/dbraw/zinc/30/51/31/890305131.db2.gz ICURILNXEGZFJB-QMMMGPOBSA-N 1 2 278.276 -2.130 20 0 CAADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)Cn1ncnn1 ZINC001419135342 890305145 /nfs/dbraw/zinc/30/51/45/890305145.db2.gz ICURILNXEGZFJB-QMMMGPOBSA-N 1 2 278.276 -2.130 20 0 CAADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C[C@H]1CCC(=O)N1 ZINC001419138540 890305201 /nfs/dbraw/zinc/30/52/01/890305201.db2.gz QMIKRGOGLWGAPL-SCZZXKLOSA-N 1 2 293.327 -1.148 20 0 CAADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C[C@H]1CCC(=O)N1 ZINC001419138540 890305219 /nfs/dbraw/zinc/30/52/19/890305219.db2.gz QMIKRGOGLWGAPL-SCZZXKLOSA-N 1 2 293.327 -1.148 20 0 CAADLO COC[C@@H](C)C(=O)N[C@H]1CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001419147713 890305860 /nfs/dbraw/zinc/30/58/60/890305860.db2.gz PQYDXSNBBKWZEK-BDAKNGLRSA-N 1 2 286.332 -1.346 20 0 CAADLO COC[C@@H](C)C(=O)N[C@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001419147713 890305873 /nfs/dbraw/zinc/30/58/73/890305873.db2.gz PQYDXSNBBKWZEK-BDAKNGLRSA-N 1 2 286.332 -1.346 20 0 CAADLO CCN(C(=O)Cn1cncn1)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001419152539 890306485 /nfs/dbraw/zinc/30/64/85/890306485.db2.gz WTWPPJLNGMDPAL-JTQLQIEISA-N 1 2 280.332 -1.314 20 0 CAADLO CCN(C(=O)Cn1cncn1)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001419152539 890306502 /nfs/dbraw/zinc/30/65/02/890306502.db2.gz WTWPPJLNGMDPAL-JTQLQIEISA-N 1 2 280.332 -1.314 20 0 CAADLO CCOCC(=O)NCCN1CC[NH+]([C@H](C)C(N)=O)CC1 ZINC001419116091 890307274 /nfs/dbraw/zinc/30/72/74/890307274.db2.gz SHKQKOKOLGRYMD-LLVKDONJSA-N 1 2 286.376 -1.370 20 0 CAADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H]1NC(=O)O[C@H]1C ZINC001419137856 890307332 /nfs/dbraw/zinc/30/73/32/890307332.db2.gz OOPVUZUDDPENRW-CNUIFLNQSA-N 1 2 295.299 -1.320 20 0 CAADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H]1NC(=O)O[C@H]1C ZINC001419137856 890307350 /nfs/dbraw/zinc/30/73/50/890307350.db2.gz OOPVUZUDDPENRW-CNUIFLNQSA-N 1 2 295.299 -1.320 20 0 CAADLO CCCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CNC(C)=O)C1 ZINC001419145341 890307595 /nfs/dbraw/zinc/30/75/95/890307595.db2.gz XWXVDWJXBGMBPQ-NSHDSACASA-N 1 2 284.360 -1.161 20 0 CAADLO CCCNC(=O)C[N@H+]1CC[C@H](NC(=O)CNC(C)=O)C1 ZINC001419145341 890307608 /nfs/dbraw/zinc/30/76/08/890307608.db2.gz XWXVDWJXBGMBPQ-NSHDSACASA-N 1 2 284.360 -1.161 20 0 CAADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H]1NC(=O)O[C@H]1C ZINC001419137859 890307804 /nfs/dbraw/zinc/30/78/04/890307804.db2.gz OOPVUZUDDPENRW-XVYDVKMFSA-N 1 2 295.299 -1.320 20 0 CAADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H]1NC(=O)O[C@H]1C ZINC001419137859 890307810 /nfs/dbraw/zinc/30/78/10/890307810.db2.gz OOPVUZUDDPENRW-XVYDVKMFSA-N 1 2 295.299 -1.320 20 0 CAADLO COC1CC(C(=O)N[C@@H]2CC[N@H+](CC(=O)NC(N)=O)C2)C1 ZINC001419158513 890308981 /nfs/dbraw/zinc/30/89/81/890308981.db2.gz DNEDALGJRATKBJ-HWOCKDDLSA-N 1 2 298.343 -1.203 20 0 CAADLO COC1CC(C(=O)N[C@@H]2CC[N@@H+](CC(=O)NC(N)=O)C2)C1 ZINC001419158513 890309000 /nfs/dbraw/zinc/30/90/00/890309000.db2.gz DNEDALGJRATKBJ-HWOCKDDLSA-N 1 2 298.343 -1.203 20 0 CAADLO CC(C)[C@@H](O)C(=O)N[C@H]1C[C@H]([NH2+]Cc2nnn(C)n2)C1 ZINC001419394678 890321700 /nfs/dbraw/zinc/32/17/00/890321700.db2.gz ZCYZEVYGAGUVPG-FXPVBKGRSA-N 1 2 282.348 -1.036 20 0 CAADLO C[NH+]1CC(N2CCN(C(=O)CCc3nn[nH]n3)CC2)C1 ZINC001419451725 890325741 /nfs/dbraw/zinc/32/57/41/890325741.db2.gz YMIAJTNDWBXVCQ-UHFFFAOYSA-N 1 2 279.348 -1.410 20 0 CAADLO C[C@H](CC(N)=O)C(=O)N[C@H]1C[C@@H]([NH2+]Cc2nnn(C)n2)C1 ZINC001419507894 890331097 /nfs/dbraw/zinc/33/10/97/890331097.db2.gz VCJIWTREAQJMGC-HLTSFMKQSA-N 1 2 295.347 -1.542 20 0 CAADLO O=C(Cn1cnnn1)NC[C@@H]1C[N@H+](CCO)CCO1 ZINC001419572793 890334371 /nfs/dbraw/zinc/33/43/71/890334371.db2.gz PEDNXUOHDKFVDN-SECBINFHSA-N 1 2 270.293 -2.518 20 0 CAADLO O=C(Cn1cnnn1)NC[C@@H]1C[N@@H+](CCO)CCO1 ZINC001419572793 890334385 /nfs/dbraw/zinc/33/43/85/890334385.db2.gz PEDNXUOHDKFVDN-SECBINFHSA-N 1 2 270.293 -2.518 20 0 CAADLO O=C(CC1OCCCO1)NC[C@H]1C[N@H+](CCO)CCO1 ZINC001419573923 890335375 /nfs/dbraw/zinc/33/53/75/890335375.db2.gz UMJMUTWVZJVNPG-NSHDSACASA-N 1 2 288.344 -1.051 20 0 CAADLO O=C(CC1OCCCO1)NC[C@H]1C[N@@H+](CCO)CCO1 ZINC001419573923 890335391 /nfs/dbraw/zinc/33/53/91/890335391.db2.gz UMJMUTWVZJVNPG-NSHDSACASA-N 1 2 288.344 -1.051 20 0 CAADLO C[C@H](CNC(=O)c1cn[nH]n1)[NH2+][C@@H](C)c1nnnn1C ZINC001419783028 890352492 /nfs/dbraw/zinc/35/24/92/890352492.db2.gz GSOXGQDMPYKOQO-RQJHMYQMSA-N 1 2 279.308 -1.203 20 0 CAADLO C[C@H](CNC(=O)c1cnn[nH]1)[NH2+][C@@H](C)c1nnnn1C ZINC001419783028 890352504 /nfs/dbraw/zinc/35/25/04/890352504.db2.gz GSOXGQDMPYKOQO-RQJHMYQMSA-N 1 2 279.308 -1.203 20 0 CAADLO C[C@@H]([NH2+][C@@H](C)CNC(=O)c1cn[nH]n1)c1nnnn1C ZINC001419783022 890353808 /nfs/dbraw/zinc/35/38/08/890353808.db2.gz GSOXGQDMPYKOQO-NKWVEPMBSA-N 1 2 279.308 -1.203 20 0 CAADLO C[C@@H]([NH2+][C@@H](C)CNC(=O)c1cnn[nH]1)c1nnnn1C ZINC001419783022 890353826 /nfs/dbraw/zinc/35/38/26/890353826.db2.gz GSOXGQDMPYKOQO-NKWVEPMBSA-N 1 2 279.308 -1.203 20 0 CAADLO C[C@H](CNC(=O)[C@H](C)CC(N)=O)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001419825009 890357326 /nfs/dbraw/zinc/35/73/26/890357326.db2.gz KHMFCHGLVDJQNI-HTQZYQBOSA-N 1 2 298.347 -1.786 20 0 CAADLO Cc1nnc(C[NH2+][C@H](C)CNC(=O)[C@@H]2CN(C)C(=O)N2)o1 ZINC001419832590 890358146 /nfs/dbraw/zinc/35/81/46/890358146.db2.gz TZSGFTZLLYYXFO-APPZFPTMSA-N 1 2 296.331 -1.004 20 0 CAADLO CCc1nnc(C[NH2+][C@H](C)CNC(=O)[C@H]2CNC(=O)N2)o1 ZINC001419826185 890359389 /nfs/dbraw/zinc/35/93/89/890359389.db2.gz USCOPVWGIRUBPA-HTQZYQBOSA-N 1 2 296.331 -1.092 20 0 CAADLO C[C@H](CNC(=O)c1nnn(C)n1)[NH2+]Cc1nncs1 ZINC001419816169 890360037 /nfs/dbraw/zinc/36/00/37/890360037.db2.gz OBKLIZNUQRISLM-ZCFIWIBFSA-N 1 2 282.333 -1.030 20 0 CAADLO CN(CC[N@H+](C)CC(N)=O)C(=O)[C@H]1CCNC(=O)C1 ZINC001419957769 890369014 /nfs/dbraw/zinc/36/90/14/890369014.db2.gz PGODOFFRUCDKFC-VIFPVBQESA-N 1 2 270.333 -1.612 20 0 CAADLO CN(CC[N@@H+](C)CC(N)=O)C(=O)[C@H]1CCNC(=O)C1 ZINC001419957769 890369030 /nfs/dbraw/zinc/36/90/30/890369030.db2.gz PGODOFFRUCDKFC-VIFPVBQESA-N 1 2 270.333 -1.612 20 0 CAADLO CNC(=O)[C@H](C)[NH2+]C[C@H]1CCN(C(=O)Cc2ncn[nH]2)C1 ZINC001419987010 890370691 /nfs/dbraw/zinc/37/06/91/890370691.db2.gz BSKLWMKRESHTLY-VHSXEESVSA-N 1 2 294.359 -1.080 20 0 CAADLO CCNC(=O)C[N@H+](C)CCN(C)C(=O)CNC(=O)OC ZINC001419956119 890370629 /nfs/dbraw/zinc/37/06/29/890370629.db2.gz ZWXUNYJGECHKTP-UHFFFAOYSA-N 1 2 288.348 -1.131 20 0 CAADLO CCNC(=O)C[N@@H+](C)CCN(C)C(=O)CNC(=O)OC ZINC001419956119 890370645 /nfs/dbraw/zinc/37/06/45/890370645.db2.gz ZWXUNYJGECHKTP-UHFFFAOYSA-N 1 2 288.348 -1.131 20 0 CAADLO CN(CC[N@H+](C)CC(N)=O)C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001420018526 890371973 /nfs/dbraw/zinc/37/19/73/890371973.db2.gz JAKFUBYVDSEPPC-ZETCQYMHSA-N 1 2 285.304 -2.540 20 0 CAADLO CN(CC[N@@H+](C)CC(N)=O)C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001420018526 890371985 /nfs/dbraw/zinc/37/19/85/890371985.db2.gz JAKFUBYVDSEPPC-ZETCQYMHSA-N 1 2 285.304 -2.540 20 0 CAADLO CNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)Cc2ncn[nH]2)C1 ZINC001420005359 890373580 /nfs/dbraw/zinc/37/35/80/890373580.db2.gz GDQGEIMQCJPZEM-VIFPVBQESA-N 1 2 280.332 -1.469 20 0 CAADLO Cc1nc(C(=O)N(C)CC[N@H+](C)CC(N)=O)c(=O)[nH]c1C ZINC001419989488 890373700 /nfs/dbraw/zinc/37/37/00/890373700.db2.gz KUQZIZRKBZSRKV-UHFFFAOYSA-N 1 2 295.343 -1.124 20 0 CAADLO Cc1nc(C(=O)N(C)CC[N@@H+](C)CC(N)=O)c(=O)[nH]c1C ZINC001419989488 890373716 /nfs/dbraw/zinc/37/37/16/890373716.db2.gz KUQZIZRKBZSRKV-UHFFFAOYSA-N 1 2 295.343 -1.124 20 0 CAADLO CN(CC[N@H+](C)CC(N)=O)C(=O)[C@H]1CN(C)C(=O)N1 ZINC001420001065 890374077 /nfs/dbraw/zinc/37/40/77/890374077.db2.gz WEFDZQFBNGQGLY-MRVPVSSYSA-N 1 2 271.321 -2.115 20 0 CAADLO CN(CC[N@@H+](C)CC(N)=O)C(=O)[C@H]1CN(C)C(=O)N1 ZINC001420001065 890374092 /nfs/dbraw/zinc/37/40/92/890374092.db2.gz WEFDZQFBNGQGLY-MRVPVSSYSA-N 1 2 271.321 -2.115 20 0 CAADLO CNC(=O)C[N@H+](C)CCN(C)C(=O)[C@@H]1CC[C@H]1C(N)=O ZINC001419993212 890374526 /nfs/dbraw/zinc/37/45/26/890374526.db2.gz LWHZIKVVQHERQH-NXEZZACHSA-N 1 2 284.360 -1.366 20 0 CAADLO CNC(=O)C[N@@H+](C)CCN(C)C(=O)[C@@H]1CC[C@H]1C(N)=O ZINC001419993212 890374544 /nfs/dbraw/zinc/37/45/44/890374544.db2.gz LWHZIKVVQHERQH-NXEZZACHSA-N 1 2 284.360 -1.366 20 0 CAADLO CO[C@H](C(=O)N(C)CC[N@H+](C)CC(N)=O)c1cnn(C)c1 ZINC001419995830 890374584 /nfs/dbraw/zinc/37/45/84/890374584.db2.gz OJYBHONNFRFQGO-LBPRGKRZSA-N 1 2 297.359 -1.017 20 0 CAADLO CO[C@H](C(=O)N(C)CC[N@@H+](C)CC(N)=O)c1cnn(C)c1 ZINC001419995830 890374599 /nfs/dbraw/zinc/37/45/99/890374599.db2.gz OJYBHONNFRFQGO-LBPRGKRZSA-N 1 2 297.359 -1.017 20 0 CAADLO CNC(=O)C[NH2+]C[C@H]1CCN(C(=O)Cc2ncn[nH]2)C1 ZINC001420005355 890374917 /nfs/dbraw/zinc/37/49/17/890374917.db2.gz GDQGEIMQCJPZEM-SECBINFHSA-N 1 2 280.332 -1.469 20 0 CAADLO CNC(=O)[C@@H](C)[NH2+]C[C@@H](O)CNC(=O)c1[nH]nc(C)c1C ZINC001420114618 890388156 /nfs/dbraw/zinc/38/81/56/890388156.db2.gz QQRUIYWWCRUVES-NXEZZACHSA-N 1 2 297.359 -1.159 20 0 CAADLO CNC(=O)[C@@H](C)[NH2+]C[C@H](O)CNC(=O)c1[nH]nc(C)c1C ZINC001420114635 890391170 /nfs/dbraw/zinc/39/11/70/890391170.db2.gz QQRUIYWWCRUVES-ZJUUUORDSA-N 1 2 297.359 -1.159 20 0 CAADLO Cc1n[nH]c(C(=O)NC[C@H](O)C[NH2+][C@@H](C)C(N)=O)c1C ZINC001420117119 890391760 /nfs/dbraw/zinc/39/17/60/890391760.db2.gz WDYVJQVPCXKOOU-DTWKUNHWSA-N 1 2 283.332 -1.419 20 0 CAADLO Cc1n[nH]c(C(=O)NC[C@H](O)C[NH2+][C@H](C)C(N)=O)c1C ZINC001420117132 890393903 /nfs/dbraw/zinc/39/39/03/890393903.db2.gz WDYVJQVPCXKOOU-RKDXNWHRSA-N 1 2 283.332 -1.419 20 0 CAADLO Cc1nc(CC(=O)NC[C@@H](O)C[NH2+]Cc2ccon2)n[nH]1 ZINC001420126205 890397530 /nfs/dbraw/zinc/39/75/30/890397530.db2.gz INKUQWJSMBVROH-JTQLQIEISA-N 1 2 294.315 -1.089 20 0 CAADLO C[N@H+](CCNC(=O)Cn1cnnn1)CC(=O)N1CCC1 ZINC001420179572 890407194 /nfs/dbraw/zinc/40/71/94/890407194.db2.gz GADDDZBOWUROLL-UHFFFAOYSA-N 1 2 281.320 -2.047 20 0 CAADLO C[N@@H+](CCNC(=O)Cn1cnnn1)CC(=O)N1CCC1 ZINC001420179572 890407205 /nfs/dbraw/zinc/40/72/05/890407205.db2.gz GADDDZBOWUROLL-UHFFFAOYSA-N 1 2 281.320 -2.047 20 0 CAADLO CC(=O)N[C@H](C)C(=O)NCC[N@H+](C)CC(=O)N(C)C ZINC001420178882 890408280 /nfs/dbraw/zinc/40/82/80/890408280.db2.gz PQHPVFINZCXSNT-SECBINFHSA-N 1 2 272.349 -1.353 20 0 CAADLO CC(=O)N[C@H](C)C(=O)NCC[N@@H+](C)CC(=O)N(C)C ZINC001420178882 890408285 /nfs/dbraw/zinc/40/82/85/890408285.db2.gz PQHPVFINZCXSNT-SECBINFHSA-N 1 2 272.349 -1.353 20 0 CAADLO CN(C)C(=O)C[N@H+](C)CCNC(=O)[C@H]1COCCO1 ZINC001420179266 890408390 /nfs/dbraw/zinc/40/83/90/890408390.db2.gz CLLRVCWCIMOYFN-SNVBAGLBSA-N 1 2 273.333 -1.462 20 0 CAADLO CN(C)C(=O)C[N@@H+](C)CCNC(=O)[C@H]1COCCO1 ZINC001420179266 890408405 /nfs/dbraw/zinc/40/84/05/890408405.db2.gz CLLRVCWCIMOYFN-SNVBAGLBSA-N 1 2 273.333 -1.462 20 0 CAADLO Cc1ncc(C[NH2+]C[C@@H](O)CNC(=O)c2ncn[nH]2)o1 ZINC001420188580 890410378 /nfs/dbraw/zinc/41/03/78/890410378.db2.gz CBHOBBFRPXTZNR-MRVPVSSYSA-N 1 2 280.288 -1.018 20 0 CAADLO Cc1ncc(C[NH2+]C[C@@H](O)CNC(=O)c2nc[nH]n2)o1 ZINC001420188580 890410382 /nfs/dbraw/zinc/41/03/82/890410382.db2.gz CBHOBBFRPXTZNR-MRVPVSSYSA-N 1 2 280.288 -1.018 20 0 CAADLO CN(C)C(=O)C[N@H+](C)CCNC(=O)CCn1cncn1 ZINC001420185862 890412043 /nfs/dbraw/zinc/41/20/43/890412043.db2.gz LBSDQKHZCBWUKH-UHFFFAOYSA-N 1 2 282.348 -1.196 20 0 CAADLO CN(C)C(=O)C[N@@H+](C)CCNC(=O)CCn1cncn1 ZINC001420185862 890412046 /nfs/dbraw/zinc/41/20/46/890412046.db2.gz LBSDQKHZCBWUKH-UHFFFAOYSA-N 1 2 282.348 -1.196 20 0 CAADLO CNC(=O)NCCC(=O)NCC[N@H+](C)CC(=O)N(C)C ZINC001420206487 890413575 /nfs/dbraw/zinc/41/35/75/890413575.db2.gz LQJOTQWIJIQJNB-UHFFFAOYSA-N 1 2 287.364 -1.558 20 0 CAADLO CNC(=O)NCCC(=O)NCC[N@@H+](C)CC(=O)N(C)C ZINC001420206487 890413583 /nfs/dbraw/zinc/41/35/83/890413583.db2.gz LQJOTQWIJIQJNB-UHFFFAOYSA-N 1 2 287.364 -1.558 20 0 CAADLO CCNC(=O)C[N@H+](C)CCNC(=O)CNC(=O)C1CC1 ZINC001420200520 890413712 /nfs/dbraw/zinc/41/37/12/890413712.db2.gz OSRJIHCKFGZYGK-UHFFFAOYSA-N 1 2 284.360 -1.303 20 0 CAADLO CCNC(=O)C[N@@H+](C)CCNC(=O)CNC(=O)C1CC1 ZINC001420200520 890413717 /nfs/dbraw/zinc/41/37/17/890413717.db2.gz OSRJIHCKFGZYGK-UHFFFAOYSA-N 1 2 284.360 -1.303 20 0 CAADLO Cn1[nH]c(C[N@H+](C)CCNC(=O)[C@@H]2CCOC2)nc1=O ZINC001420197779 890416046 /nfs/dbraw/zinc/41/60/46/890416046.db2.gz NWZFLWOZYZEILX-SECBINFHSA-N 1 2 283.332 -1.307 20 0 CAADLO Cn1[nH]c(C[N@@H+](C)CCNC(=O)[C@@H]2CCOC2)nc1=O ZINC001420197779 890416062 /nfs/dbraw/zinc/41/60/62/890416062.db2.gz NWZFLWOZYZEILX-SECBINFHSA-N 1 2 283.332 -1.307 20 0 CAADLO CCNC(=O)C[N@H+](C)CCNC(=O)CCn1ccnn1 ZINC001420215716 890417322 /nfs/dbraw/zinc/41/73/22/890417322.db2.gz TVQZAUZLWNIDQS-UHFFFAOYSA-N 1 2 282.348 -1.148 20 0 CAADLO CCNC(=O)C[N@@H+](C)CCNC(=O)CCn1ccnn1 ZINC001420215716 890417330 /nfs/dbraw/zinc/41/73/30/890417330.db2.gz TVQZAUZLWNIDQS-UHFFFAOYSA-N 1 2 282.348 -1.148 20 0 CAADLO CNS(=O)(=O)CCC(=O)NCC[N@H+](C)CC(N)=O ZINC001420217756 890418087 /nfs/dbraw/zinc/41/80/87/890418087.db2.gz AQIHVNFIEOMOJC-UHFFFAOYSA-N 1 2 280.350 -2.541 20 0 CAADLO CNS(=O)(=O)CCC(=O)NCC[N@@H+](C)CC(N)=O ZINC001420217756 890418092 /nfs/dbraw/zinc/41/80/92/890418092.db2.gz AQIHVNFIEOMOJC-UHFFFAOYSA-N 1 2 280.350 -2.541 20 0 CAADLO CNC(=O)C[N@H+](C)CCNC(=O)[C@@H]1CCN(C)C(=O)C1 ZINC001420254728 890421784 /nfs/dbraw/zinc/42/17/84/890421784.db2.gz NHCIVZIUOIDJNU-SNVBAGLBSA-N 1 2 284.360 -1.351 20 0 CAADLO CNC(=O)C[N@@H+](C)CCNC(=O)[C@@H]1CCN(C)C(=O)C1 ZINC001420254728 890421795 /nfs/dbraw/zinc/42/17/95/890421795.db2.gz NHCIVZIUOIDJNU-SNVBAGLBSA-N 1 2 284.360 -1.351 20 0 CAADLO C[C@@H](C(N)=O)[N@H+](C)CCNC(=O)c1cn(C)ccc1=O ZINC001420265701 890422225 /nfs/dbraw/zinc/42/22/25/890422225.db2.gz DJGUWAKNVYEORV-VIFPVBQESA-N 1 2 280.328 -1.079 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+](C)CCNC(=O)c1cn(C)ccc1=O ZINC001420265701 890422233 /nfs/dbraw/zinc/42/22/33/890422233.db2.gz DJGUWAKNVYEORV-VIFPVBQESA-N 1 2 280.328 -1.079 20 0 CAADLO CCNC(=O)NC(=O)C[N@H+](C)CCNC(=O)c1cn[nH]n1 ZINC001420247439 890422604 /nfs/dbraw/zinc/42/26/04/890422604.db2.gz QCNQTJTUJANUPO-UHFFFAOYSA-N 1 2 297.319 -1.688 20 0 CAADLO CCNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)c1cn[nH]n1 ZINC001420247439 890422612 /nfs/dbraw/zinc/42/26/12/890422612.db2.gz QCNQTJTUJANUPO-UHFFFAOYSA-N 1 2 297.319 -1.688 20 0 CAADLO CCNC(=O)C[N@H+](C)CCNC(=O)c1cnc[nH]c1=O ZINC001420245554 890423166 /nfs/dbraw/zinc/42/31/66/890423166.db2.gz CNAGFVGRGWAPCB-UHFFFAOYSA-N 1 2 281.316 -1.020 20 0 CAADLO CCNC(=O)C[N@@H+](C)CCNC(=O)c1cnc[nH]c1=O ZINC001420245554 890423170 /nfs/dbraw/zinc/42/31/70/890423170.db2.gz CNAGFVGRGWAPCB-UHFFFAOYSA-N 1 2 281.316 -1.020 20 0 CAADLO CNC(=O)C[N@H+](C)CCNC(=O)[C@@]1(C)CCC(=O)NC1 ZINC001420287671 890424738 /nfs/dbraw/zinc/42/47/38/890424738.db2.gz ROXRXQQUSDUFHZ-ZDUSSCGKSA-N 1 2 284.360 -1.303 20 0 CAADLO CNC(=O)C[N@@H+](C)CCNC(=O)[C@@]1(C)CCC(=O)NC1 ZINC001420287671 890424742 /nfs/dbraw/zinc/42/47/42/890424742.db2.gz ROXRXQQUSDUFHZ-ZDUSSCGKSA-N 1 2 284.360 -1.303 20 0 CAADLO CN(C)C(=O)C[N@H+](C)CCNC(=O)c1cn(C)c(=O)[nH]1 ZINC001420288184 890425839 /nfs/dbraw/zinc/42/58/39/890425839.db2.gz FAGDWECCRSEWCW-UHFFFAOYSA-N 1 2 283.332 -1.125 20 0 CAADLO CN(C)C(=O)C[N@@H+](C)CCNC(=O)c1cn(C)c(=O)[nH]1 ZINC001420288184 890425850 /nfs/dbraw/zinc/42/58/50/890425850.db2.gz FAGDWECCRSEWCW-UHFFFAOYSA-N 1 2 283.332 -1.125 20 0 CAADLO CNC(=O)C[N@H+](C)CCNC(=O)Cn1nc(C)n(C)c1=O ZINC001420340473 890432179 /nfs/dbraw/zinc/43/21/79/890432179.db2.gz FNIWRYHXXCCWMI-UHFFFAOYSA-N 1 2 298.347 -2.316 20 0 CAADLO CNC(=O)C[N@@H+](C)CCNC(=O)Cn1nc(C)n(C)c1=O ZINC001420340473 890432190 /nfs/dbraw/zinc/43/21/90/890432190.db2.gz FNIWRYHXXCCWMI-UHFFFAOYSA-N 1 2 298.347 -2.316 20 0 CAADLO Cc1[nH+]c[nH]c1CC(=O)NC[C@H](O)CS(C)(=O)=O ZINC001420354053 890432329 /nfs/dbraw/zinc/43/23/29/890432329.db2.gz RKJQLKCMODKSMY-QMMMGPOBSA-N 1 2 275.330 -1.218 20 0 CAADLO C[N@H+](CCNC(=O)CNC(=O)c1ccccc1)CC(N)=O ZINC001420337890 890434148 /nfs/dbraw/zinc/43/41/48/890434148.db2.gz WHKMHNNZJCWRDM-UHFFFAOYSA-N 1 2 292.339 -1.050 20 0 CAADLO C[N@@H+](CCNC(=O)CNC(=O)c1ccccc1)CC(N)=O ZINC001420337890 890434152 /nfs/dbraw/zinc/43/41/52/890434152.db2.gz WHKMHNNZJCWRDM-UHFFFAOYSA-N 1 2 292.339 -1.050 20 0 CAADLO Cc1nnc(C[NH2+]C[C@H](C)NC(=O)Cn2cnnn2)o1 ZINC001420403351 890436843 /nfs/dbraw/zinc/43/68/43/890436843.db2.gz WQFJLLGIQILZMF-ZETCQYMHSA-N 1 2 280.292 -1.341 20 0 CAADLO O=C(Cc1nnc[nH]1)NC[C@@H]1CCC[N@H+]1[C@H]1CCNC1=O ZINC001420491740 890444330 /nfs/dbraw/zinc/44/43/30/890444330.db2.gz FISSOHKHWQUEAN-UWVGGRQHSA-N 1 2 292.343 -1.184 20 0 CAADLO O=C(Cc1nnc[nH]1)NC[C@@H]1CCC[N@H+]1[C@@H]1CCNC1=O ZINC001420491741 890445266 /nfs/dbraw/zinc/44/52/66/890445266.db2.gz FISSOHKHWQUEAN-VHSXEESVSA-N 1 2 292.343 -1.184 20 0 CAADLO CC(=O)NCC(=O)NC[C@H]1CC[N@@H+](Cc2cnn(C)n2)C1 ZINC001420504107 890450134 /nfs/dbraw/zinc/45/01/34/890450134.db2.gz OXGQGTGTQFDKJN-LLVKDONJSA-N 1 2 294.359 -1.111 20 0 CAADLO CC(=O)NCC(=O)NC[C@H]1CC[N@H+](Cc2cnn(C)n2)C1 ZINC001420504107 890450142 /nfs/dbraw/zinc/45/01/42/890450142.db2.gz OXGQGTGTQFDKJN-LLVKDONJSA-N 1 2 294.359 -1.111 20 0 CAADLO C[N@@H+]1CCO[C@@H](C(=O)N[C@@](C)(Cn2cccn2)C(N)=O)C1 ZINC001420569163 890452458 /nfs/dbraw/zinc/45/24/58/890452458.db2.gz KNXNZWARUQIFJC-MFKMUULPSA-N 1 2 295.343 -1.426 20 0 CAADLO C[N@H+]1CCO[C@@H](C(=O)N[C@@](C)(Cn2cccn2)C(N)=O)C1 ZINC001420569163 890452467 /nfs/dbraw/zinc/45/24/67/890452467.db2.gz KNXNZWARUQIFJC-MFKMUULPSA-N 1 2 295.343 -1.426 20 0 CAADLO CC(=O)N(C)CC(=O)NC[C@@H]1CC[N@H+]1CC(=O)N(C)C ZINC001420822759 890463725 /nfs/dbraw/zinc/46/37/25/890463725.db2.gz WAVPFFIYEJPKKM-NSHDSACASA-N 1 2 284.360 -1.257 20 0 CAADLO CC(=O)N(C)CC(=O)NC[C@@H]1CC[N@@H+]1CC(=O)N(C)C ZINC001420822759 890463732 /nfs/dbraw/zinc/46/37/32/890463732.db2.gz WAVPFFIYEJPKKM-NSHDSACASA-N 1 2 284.360 -1.257 20 0 CAADLO CC[C@H](C(N)=O)[N@@H+]1CC[C@@H]1CNC(=O)CNC(=O)C1CC1 ZINC001420802163 890464903 /nfs/dbraw/zinc/46/49/03/890464903.db2.gz JTKOXNOAVAFXFN-GHMZBOCLSA-N 1 2 296.371 -1.033 20 0 CAADLO CC[C@H](C(N)=O)[N@H+]1CC[C@@H]1CNC(=O)CNC(=O)C1CC1 ZINC001420802163 890464908 /nfs/dbraw/zinc/46/49/08/890464908.db2.gz JTKOXNOAVAFXFN-GHMZBOCLSA-N 1 2 296.371 -1.033 20 0 CAADLO C[C@H](CC(=O)NC[C@@H]1CC[N@@H+]1CC(=O)N(C)C)NC(N)=O ZINC001420828517 890464916 /nfs/dbraw/zinc/46/49/16/890464916.db2.gz DKTMUWRZPWCARB-ZJUUUORDSA-N 1 2 299.375 -1.288 20 0 CAADLO C[C@H](CC(=O)NC[C@@H]1CC[N@H+]1CC(=O)N(C)C)NC(N)=O ZINC001420828517 890464920 /nfs/dbraw/zinc/46/49/20/890464920.db2.gz DKTMUWRZPWCARB-ZJUUUORDSA-N 1 2 299.375 -1.288 20 0 CAADLO CC[C@@H](C(N)=O)[N@@H+]1CC[C@H]1CNC(=O)CNC(=O)C1CC1 ZINC001420802171 890465199 /nfs/dbraw/zinc/46/51/99/890465199.db2.gz JTKOXNOAVAFXFN-QWRGUYRKSA-N 1 2 296.371 -1.033 20 0 CAADLO CC[C@@H](C(N)=O)[N@H+]1CC[C@H]1CNC(=O)CNC(=O)C1CC1 ZINC001420802171 890465208 /nfs/dbraw/zinc/46/52/08/890465208.db2.gz JTKOXNOAVAFXFN-QWRGUYRKSA-N 1 2 296.371 -1.033 20 0 CAADLO CN(C)C(=O)C[N@@H+]1CC[C@H]1CNC(=O)CNC(=O)C1CC1 ZINC001420810390 890465415 /nfs/dbraw/zinc/46/54/15/890465415.db2.gz XQCHTBCCJGDZRV-NSHDSACASA-N 1 2 296.371 -1.209 20 0 CAADLO CN(C)C(=O)C[N@H+]1CC[C@H]1CNC(=O)CNC(=O)C1CC1 ZINC001420810390 890465422 /nfs/dbraw/zinc/46/54/22/890465422.db2.gz XQCHTBCCJGDZRV-NSHDSACASA-N 1 2 296.371 -1.209 20 0 CAADLO Cn1nnc(CN2CC[C@H]2CNC(=O)Cc2c[nH]c[nH+]2)n1 ZINC001420868919 890467483 /nfs/dbraw/zinc/46/74/83/890467483.db2.gz NFWBEZFXBCSLKZ-JTQLQIEISA-N 1 2 290.331 -1.134 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CC[C@@H]1CNC(=O)CN(C)C(=O)C1CC1 ZINC001420852086 890467521 /nfs/dbraw/zinc/46/75/21/890467521.db2.gz XCOLXRJPRKZUPB-GXSJLCMTSA-N 1 2 296.371 -1.081 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CC[C@@H]1CNC(=O)CN(C)C(=O)C1CC1 ZINC001420852086 890467529 /nfs/dbraw/zinc/46/75/29/890467529.db2.gz XCOLXRJPRKZUPB-GXSJLCMTSA-N 1 2 296.371 -1.081 20 0 CAADLO Cn1nnc(CN2CC[C@@H]2CNC(=O)Cc2c[nH]c[nH+]2)n1 ZINC001420868930 890468606 /nfs/dbraw/zinc/46/86/06/890468606.db2.gz NFWBEZFXBCSLKZ-SNVBAGLBSA-N 1 2 290.331 -1.134 20 0 CAADLO CNC(=O)NCC(=O)NC[C@@H]1CC[N@@H+]1[C@@H](C)C(N)=O ZINC001420853114 890468948 /nfs/dbraw/zinc/46/89/48/890468948.db2.gz YGPLTCLNDBDASY-YUMQZZPRSA-N 1 2 271.321 -2.020 20 0 CAADLO CNC(=O)NCC(=O)NC[C@@H]1CC[N@H+]1[C@@H](C)C(N)=O ZINC001420853114 890468954 /nfs/dbraw/zinc/46/89/54/890468954.db2.gz YGPLTCLNDBDASY-YUMQZZPRSA-N 1 2 271.321 -2.020 20 0 CAADLO C[C@H](O)C[N@@H+]1CC[C@@H]1CNC(=O)CC1CS(=O)(=O)C1 ZINC001420883879 890469221 /nfs/dbraw/zinc/46/92/21/890469221.db2.gz YXZBWWTUTJOXRE-GXSJLCMTSA-N 1 2 290.385 -1.008 20 0 CAADLO C[C@H](O)C[N@H+]1CC[C@@H]1CNC(=O)CC1CS(=O)(=O)C1 ZINC001420883879 890469228 /nfs/dbraw/zinc/46/92/28/890469228.db2.gz YXZBWWTUTJOXRE-GXSJLCMTSA-N 1 2 290.385 -1.008 20 0 CAADLO COCCn1cc(C(=O)NC[C@H]2C[NH+]3CCN2CC3)nn1 ZINC001420898955 890471462 /nfs/dbraw/zinc/47/14/62/890471462.db2.gz WYTORUOKGHAYJX-NSHDSACASA-N 1 2 294.359 -1.346 20 0 CAADLO Cn1cnnc1C[NH2+]C1(CNC(=O)[C@@H]2COC(=O)N2)CC1 ZINC001420934408 890471509 /nfs/dbraw/zinc/47/15/09/890471509.db2.gz YPMCRYVYOOKAMT-QMMMGPOBSA-N 1 2 294.315 -1.338 20 0 CAADLO C[C@H](NC(N)=O)C(=O)NCC1([NH2+]Cc2cnn(C)n2)CC1 ZINC001420934544 890471554 /nfs/dbraw/zinc/47/15/54/890471554.db2.gz ZBUNALAOPFQPSR-QMMMGPOBSA-N 1 2 295.347 -1.390 20 0 CAADLO C[C@@H](C(=O)N(C)C)[N@@H+]1CC[C@H]1CNC(=O)CCNC(N)=O ZINC001420901696 890472712 /nfs/dbraw/zinc/47/27/12/890472712.db2.gz TYGWGSXPKDYTGB-UWVGGRQHSA-N 1 2 299.375 -1.288 20 0 CAADLO C[C@@H](C(=O)N(C)C)[N@H+]1CC[C@H]1CNC(=O)CCNC(N)=O ZINC001420901696 890472721 /nfs/dbraw/zinc/47/27/21/890472721.db2.gz TYGWGSXPKDYTGB-UWVGGRQHSA-N 1 2 299.375 -1.288 20 0 CAADLO Cn1cc(C(=O)NCC2([NH2+]Cc3cnn(C)n3)CC2)nn1 ZINC001420928802 890473710 /nfs/dbraw/zinc/47/37/10/890473710.db2.gz DLASJODZYMQUKM-UHFFFAOYSA-N 1 2 290.331 -1.004 20 0 CAADLO Cn1cnc(C(=O)NCC2([NH2+]Cc3nnnn3C)CC2)c1 ZINC001420927179 890473606 /nfs/dbraw/zinc/47/36/06/890473606.db2.gz HKKVBUOJUHOQJP-UHFFFAOYSA-N 1 2 290.331 -1.004 20 0 CAADLO CCC[C@@H](NC(N)=O)C(=O)N[C@@H]1CCC[N@H+](CC(N)=O)C1 ZINC001420986963 890476029 /nfs/dbraw/zinc/47/60/29/890476029.db2.gz YKUJZWRDTUXQRO-NXEZZACHSA-N 1 2 299.375 -1.111 20 0 CAADLO CCC[C@@H](NC(N)=O)C(=O)N[C@@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001420986963 890476034 /nfs/dbraw/zinc/47/60/34/890476034.db2.gz YKUJZWRDTUXQRO-NXEZZACHSA-N 1 2 299.375 -1.111 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@H](NC(=O)CNC(=O)C2CC2)C1 ZINC001420992249 890477029 /nfs/dbraw/zinc/47/70/29/890477029.db2.gz JDXRXYSGQIDQOS-JTQLQIEISA-N 1 2 282.344 -1.422 20 0 CAADLO Cn1cnnc1C[NH2+]C1(CNC(=O)Cn2cncn2)CC1 ZINC001420998959 890477497 /nfs/dbraw/zinc/47/74/97/890477497.db2.gz QGEWIKSTWLZYMN-UHFFFAOYSA-N 1 2 290.331 -1.155 20 0 CAADLO CNC(=O)NCC(=O)NC1C[NH+](CCc2cnn(C)c2)C1 ZINC001421033979 890479601 /nfs/dbraw/zinc/47/96/01/890479601.db2.gz HQXQYHDGOHPAEB-UHFFFAOYSA-N 1 2 294.359 -1.308 20 0 CAADLO COC[C@H](O)C[NH+]1CC(NC(=O)CCn2ccnn2)C1 ZINC001421032244 890479882 /nfs/dbraw/zinc/47/98/82/890479882.db2.gz JTCMIBYPFNQJAI-LLVKDONJSA-N 1 2 283.332 -1.524 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001421061404 890482422 /nfs/dbraw/zinc/48/24/22/890482422.db2.gz FPWXXTSYRJPEMB-DTWKUNHWSA-N 1 2 272.305 -2.525 20 0 CAADLO O=C(CNC(=O)N1CCCC1)NC1C[NH+](CCO)C1 ZINC001421039701 890481864 /nfs/dbraw/zinc/48/18/64/890481864.db2.gz MJMNEAPWISUUON-UHFFFAOYSA-N 1 2 270.333 -1.416 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001421061406 890482190 /nfs/dbraw/zinc/48/21/90/890482190.db2.gz FPWXXTSYRJPEMB-IUCAKERBSA-N 1 2 272.305 -2.525 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(N(C)C(=O)CCc2nnc[nH]2)C1 ZINC001421057200 890482454 /nfs/dbraw/zinc/48/24/54/890482454.db2.gz JJOIKCFDBIGCDN-NSHDSACASA-N 1 2 297.359 -1.113 20 0 CAADLO C[C@@]1(CC(=O)NC2C[NH+](CCO)C2)CCS(=O)(=O)N1 ZINC001421092177 890484081 /nfs/dbraw/zinc/48/40/81/890484081.db2.gz DOWZCDGLOUMNNL-NSHDSACASA-N 1 2 291.373 -1.749 20 0 CAADLO C[C@@H](NS(C)(=O)=O)C(=O)NC1C[NH+](CCCO)C1 ZINC001421068473 890484819 /nfs/dbraw/zinc/48/48/19/890484819.db2.gz PVANGAPGFSGQIS-MRVPVSSYSA-N 1 2 279.362 -1.893 20 0 CAADLO C[C@H](O)C[NH+]1CC(NC(=O)CCn2cnccc2=O)C1 ZINC001421084007 890484863 /nfs/dbraw/zinc/48/48/63/890484863.db2.gz VZODDWPEFWZHAQ-JTQLQIEISA-N 1 2 280.328 -1.185 20 0 CAADLO CNC(=O)NCC(=O)NCC1C[NH+]([C@H](C)C(N)=O)C1 ZINC001421139721 890487263 /nfs/dbraw/zinc/48/72/63/890487263.db2.gz SLYKKRJYUMWRKI-SSDOTTSWSA-N 1 2 271.321 -2.163 20 0 CAADLO O=C(CN1CCOCC1)NCC1C[NH+]([C@H]2CCNC2=O)C1 ZINC001421125774 890487866 /nfs/dbraw/zinc/48/78/66/890487866.db2.gz PGLPNJNBQNTIMM-LBPRGKRZSA-N 1 2 296.371 -1.745 20 0 CAADLO O=C(NCC1C[NH+](CCNC(=O)C2CC2)C1)c1cn[nH]n1 ZINC001421138435 890487936 /nfs/dbraw/zinc/48/79/36/890487936.db2.gz RGKCSXJAOWRVKD-UHFFFAOYSA-N 1 2 292.343 -1.008 20 0 CAADLO O=C(NCC1C[NH+](CCNC(=O)C2CC2)C1)c1cnn[nH]1 ZINC001421138435 890487949 /nfs/dbraw/zinc/48/79/49/890487949.db2.gz RGKCSXJAOWRVKD-UHFFFAOYSA-N 1 2 292.343 -1.008 20 0 CAADLO C[C@@]1(C(=O)NCC2C[NH+]([C@@H]3CCNC3=O)C2)CCC(=O)N1 ZINC001421156181 890488216 /nfs/dbraw/zinc/48/82/16/890488216.db2.gz BEYANXHJBAHTMY-YGRLFVJLSA-N 1 2 294.355 -1.408 20 0 CAADLO C[C@@H]1CO[C@H](C(=O)NCC2C[NH+](CC(=O)NC(N)=O)C2)C1 ZINC001421145879 890488478 /nfs/dbraw/zinc/48/84/78/890488478.db2.gz UALUSVQMKHLXII-WPRPVWTQSA-N 1 2 298.343 -1.346 20 0 CAADLO O=C(CN1CCOCC1)NCC1C[NH+]([C@@H]2CCNC2=O)C1 ZINC001421125373 890488764 /nfs/dbraw/zinc/48/87/64/890488764.db2.gz PGLPNJNBQNTIMM-GFCCVEGCSA-N 1 2 296.371 -1.745 20 0 CAADLO CNC(=O)NC(=O)C[N@@H+]1CC[C@H](NC(=O)c2ncc[nH]2)C1 ZINC001421228633 890490820 /nfs/dbraw/zinc/49/08/20/890490820.db2.gz URTGXNRTDWCAFM-QMMMGPOBSA-N 1 2 294.315 -1.331 20 0 CAADLO CNC(=O)NC(=O)C[N@H+]1CC[C@H](NC(=O)c2ncc[nH]2)C1 ZINC001421228633 890490826 /nfs/dbraw/zinc/49/08/26/890490826.db2.gz URTGXNRTDWCAFM-QMMMGPOBSA-N 1 2 294.315 -1.331 20 0 CAADLO Cc1cc(C(=O)NCC2C[NH+](CC(=O)NC(N)=O)C2)no1 ZINC001421175560 890491507 /nfs/dbraw/zinc/49/15/07/890491507.db2.gz OXNJGJAJYFIPEN-UHFFFAOYSA-N 1 2 295.299 -1.160 20 0 CAADLO CC[C@H](C(N)=O)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CNC(C)=O ZINC001421184524 890491601 /nfs/dbraw/zinc/49/16/01/890491601.db2.gz BOLKKLAHTICHTR-GARJFASQSA-N 1 2 282.344 -1.329 20 0 CAADLO CC[C@H](C(N)=O)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CNC(C)=O ZINC001421184524 890491611 /nfs/dbraw/zinc/49/16/11/890491611.db2.gz BOLKKLAHTICHTR-GARJFASQSA-N 1 2 282.344 -1.329 20 0 CAADLO Cc1nonc1CC(=O)N[C@@]1(C)CC[N@H+](CC(N)=O)C1 ZINC001421215748 890491798 /nfs/dbraw/zinc/49/17/98/890491798.db2.gz UJAJDXULOXWXNG-LBPRGKRZSA-N 1 2 281.316 -1.014 20 0 CAADLO Cc1nonc1CC(=O)N[C@@]1(C)CC[N@@H+](CC(N)=O)C1 ZINC001421215748 890491802 /nfs/dbraw/zinc/49/18/02/890491802.db2.gz UJAJDXULOXWXNG-LBPRGKRZSA-N 1 2 281.316 -1.014 20 0 CAADLO CC(C)NC(=O)C[N@@H+]1CC[C@H](NC(=O)Cn2cncn2)C1 ZINC001421244416 890492555 /nfs/dbraw/zinc/49/25/55/890492555.db2.gz BXHSGXASMUPESC-NSHDSACASA-N 1 2 294.359 -1.007 20 0 CAADLO CC(C)NC(=O)C[N@H+]1CC[C@H](NC(=O)Cn2cncn2)C1 ZINC001421244416 890492563 /nfs/dbraw/zinc/49/25/63/890492563.db2.gz BXHSGXASMUPESC-NSHDSACASA-N 1 2 294.359 -1.007 20 0 CAADLO CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cnn(C)c2N)C1 ZINC001421261815 890495660 /nfs/dbraw/zinc/49/56/60/890495660.db2.gz WJPJPXKSGXSNDO-SECBINFHSA-N 1 2 294.359 -1.058 20 0 CAADLO CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cnn(C)c2N)C1 ZINC001421261815 890495670 /nfs/dbraw/zinc/49/56/70/890495670.db2.gz WJPJPXKSGXSNDO-SECBINFHSA-N 1 2 294.359 -1.058 20 0 CAADLO Cc1cc(C(=O)NC[C@@]2(O)CC[N@H+](CC(N)=O)C2)on1 ZINC001421333338 890495936 /nfs/dbraw/zinc/49/59/36/890495936.db2.gz QSWFXQXNCKNAJL-LBPRGKRZSA-N 1 2 282.300 -1.365 20 0 CAADLO Cc1cc(C(=O)NC[C@@]2(O)CC[N@@H+](CC(N)=O)C2)on1 ZINC001421333338 890495942 /nfs/dbraw/zinc/49/59/42/890495942.db2.gz QSWFXQXNCKNAJL-LBPRGKRZSA-N 1 2 282.300 -1.365 20 0 CAADLO CCN(C(=O)CNC(C)=O)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001421356920 890499581 /nfs/dbraw/zinc/49/95/81/890499581.db2.gz REWUADFCIJLNCA-JTQLQIEISA-N 1 2 270.333 -1.469 20 0 CAADLO CCN(C(=O)CNC(C)=O)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001421356920 890499590 /nfs/dbraw/zinc/49/95/90/890499590.db2.gz REWUADFCIJLNCA-JTQLQIEISA-N 1 2 270.333 -1.469 20 0 CAADLO COc1cc(C(=O)NC[C@]2(O)CC[N@H+](CC(N)=O)C2)on1 ZINC001421352217 890500641 /nfs/dbraw/zinc/50/06/41/890500641.db2.gz WPYYWENODWOPSE-GFCCVEGCSA-N 1 2 298.299 -1.665 20 0 CAADLO COc1cc(C(=O)NC[C@]2(O)CC[N@@H+](CC(N)=O)C2)on1 ZINC001421352217 890500649 /nfs/dbraw/zinc/50/06/49/890500649.db2.gz WPYYWENODWOPSE-GFCCVEGCSA-N 1 2 298.299 -1.665 20 0 CAADLO CCN(C(=O)Cn1ncnn1)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001421367713 890503784 /nfs/dbraw/zinc/50/37/84/890503784.db2.gz ZCJQRLCDFGKNCK-VIFPVBQESA-N 1 2 281.320 -1.919 20 0 CAADLO CCN(C(=O)Cn1ncnn1)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001421367713 890503789 /nfs/dbraw/zinc/50/37/89/890503789.db2.gz ZCJQRLCDFGKNCK-VIFPVBQESA-N 1 2 281.320 -1.919 20 0 CAADLO COC[C@@H](C)C(=O)NCC1(O)C[NH+](C[C@H](O)COC)C1 ZINC001421415668 890506637 /nfs/dbraw/zinc/50/66/37/890506637.db2.gz CSGSSADFPDSOCQ-MNOVXSKESA-N 1 2 290.360 -1.561 20 0 CAADLO CO[C@@H](C)C[NH+]1CC(O)(CNC(=O)c2ccc(=O)[nH]n2)C1 ZINC001421409868 890506796 /nfs/dbraw/zinc/50/67/96/890506796.db2.gz RJRZOCKFRGVGEC-VIFPVBQESA-N 1 2 296.327 -1.006 20 0 CAADLO COCC(=O)NCC1(O)C[NH+](CCCN2CCCC2=O)C1 ZINC001421397154 890507386 /nfs/dbraw/zinc/50/73/86/890507386.db2.gz ZWXMSOLZPABKAC-UHFFFAOYSA-N 1 2 299.371 -1.192 20 0 CAADLO CC[C@@H](CNC(=O)[C@@H]1COC(=O)N1)[NH2+]Cc1nnn(C)n1 ZINC001421399615 890507437 /nfs/dbraw/zinc/50/74/37/890507437.db2.gz HJALHSJMEPGUQD-YUMQZZPRSA-N 1 2 297.319 -1.697 20 0 CAADLO COC[C@@H](C)[NH+]1CC(O)(CNC(=O)c2nccnc2N)C1 ZINC001421423754 890510355 /nfs/dbraw/zinc/51/03/55/890510355.db2.gz JPAAPMBBIHXSIO-SECBINFHSA-N 1 2 295.343 -1.130 20 0 CAADLO C[C@@H](O)C[NH+]1CC(O)(CNC(=O)[C@H]2COCCO2)C1 ZINC001421420051 890511131 /nfs/dbraw/zinc/51/11/31/890511131.db2.gz VMLIGLANHYIJDP-NXEZZACHSA-N 1 2 274.317 -2.055 20 0 CAADLO C[C@@H](O)C[NH+]1CC(O)(CNC(=O)Cc2cnn(C)c2)C1 ZINC001421427104 890511453 /nfs/dbraw/zinc/51/14/53/890511453.db2.gz GVJMMPDBOOEZLI-SNVBAGLBSA-N 1 2 282.344 -1.494 20 0 CAADLO C[C@H](O)C[NH+]1CC(O)(CNC(=O)[C@H](C)n2cncn2)C1 ZINC001421429364 890511950 /nfs/dbraw/zinc/51/19/50/890511950.db2.gz YWAPECQRSMTUQS-UWVGGRQHSA-N 1 2 283.332 -1.617 20 0 CAADLO CO[C@@H](C)C[NH+]1CC(O)(CNC(=O)c2c[nH]c(=O)cn2)C1 ZINC001421474204 890512783 /nfs/dbraw/zinc/51/27/83/890512783.db2.gz BEDFRAZITDPIQV-VIFPVBQESA-N 1 2 296.327 -1.419 20 0 CAADLO C[C@@H](O)C[NH+]1CC(O)(CNC(=O)C[C@@H]2CCCC(=O)N2)C1 ZINC001421464343 890512834 /nfs/dbraw/zinc/51/28/34/890512834.db2.gz RWWIWNPQWYVMAB-MNOVXSKESA-N 1 2 299.371 -1.411 20 0 CAADLO Cc1nc[nH]c(=O)c1C(=O)NCC1(O)C[NH+](CCCO)C1 ZINC001421482971 890513044 /nfs/dbraw/zinc/51/30/44/890513044.db2.gz UQVXFAZXRDEJOS-UHFFFAOYSA-N 1 2 296.327 -1.350 20 0 CAADLO C[C@H](C(N)=O)N1CC(O)(CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001421491324 890513214 /nfs/dbraw/zinc/51/32/14/890513214.db2.gz NDQDNNHRRCVZEC-SECBINFHSA-N 1 2 295.343 -2.001 20 0 CAADLO COc1cncc(C(=O)NCC2(O)C[NH+](C[C@@H](C)O)C2)n1 ZINC001421486418 890513638 /nfs/dbraw/zinc/51/36/38/890513638.db2.gz ZTEMYMZVGPZGTH-SECBINFHSA-N 1 2 296.327 -1.358 20 0 CAADLO C[C@]1(C(=O)NCC2(O)C[NH+](CCCO)C2)CCC(=O)NC1 ZINC001421476234 890513968 /nfs/dbraw/zinc/51/39/68/890513968.db2.gz GJTBQKSKKRVWMI-ZDUSSCGKSA-N 1 2 299.371 -1.552 20 0 CAADLO COC[C@@H](C)[NH+]1CC(O)(CNC(=O)c2cnon2)C1 ZINC001421487926 890514204 /nfs/dbraw/zinc/51/42/04/890514204.db2.gz PXRATKFDWGATTJ-MRVPVSSYSA-N 1 2 270.289 -1.119 20 0 CAADLO CO[C@@H](C)C[NH+]1CC(O)(CNC(=O)[C@]2(C)CCC(=O)N2)C1 ZINC001421472196 890514369 /nfs/dbraw/zinc/51/43/69/890514369.db2.gz HBJKPJHLUAYASI-GWCFXTLKSA-N 1 2 299.371 -1.147 20 0 CAADLO CC[NH+]1CC(O)(CNC(=O)c2cc(C(N)=O)ccn2)C1 ZINC001421521428 890516609 /nfs/dbraw/zinc/51/66/09/890516609.db2.gz UOHJIUORVLMCFX-UHFFFAOYSA-N 1 2 278.312 -1.023 20 0 CAADLO C[C@@H](O)CN1CC(O)(CNC(=O)CCc2c[nH+]cn2C)C1 ZINC001421497337 890518004 /nfs/dbraw/zinc/51/80/04/890518004.db2.gz ZXZZAIIBAQGCLL-LLVKDONJSA-N 1 2 296.371 -1.104 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@](CO)(NC(=O)[C@H]2CCC(=O)N2)C1 ZINC001421613634 890519745 /nfs/dbraw/zinc/51/97/45/890519745.db2.gz XMGTYGBFLDAUFA-RNCFNFMXSA-N 1 2 298.343 -2.307 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@](CO)(NC(=O)[C@H]2CCC(=O)N2)C1 ZINC001421613634 890519753 /nfs/dbraw/zinc/51/97/53/890519753.db2.gz XMGTYGBFLDAUFA-RNCFNFMXSA-N 1 2 298.343 -2.307 20 0 CAADLO COCCC(=O)N[C@]1(CO)CCC[N@H+]([C@H](C)C(N)=O)C1 ZINC001421592933 890521886 /nfs/dbraw/zinc/52/18/86/890521886.db2.gz LNATXFFHZWYDIN-ZWNOBZJWSA-N 1 2 287.360 -1.160 20 0 CAADLO COCCC(=O)N[C@]1(CO)CCC[N@@H+]([C@H](C)C(N)=O)C1 ZINC001421592933 890521873 /nfs/dbraw/zinc/52/18/73/890521873.db2.gz LNATXFFHZWYDIN-ZWNOBZJWSA-N 1 2 287.360 -1.160 20 0 CAADLO CCOCC(=O)N[C@]1(CO)CCC[N@@H+](CC(N)=O)C1 ZINC001421596573 890522134 /nfs/dbraw/zinc/52/21/34/890522134.db2.gz FNFXAGSZKYWDKM-GFCCVEGCSA-N 1 2 273.333 -1.549 20 0 CAADLO C[C@H](O)C[N@@H+]1CCC[C@@](CO)(NC(=O)c2nc[nH]n2)C1 ZINC001421611861 890522046 /nfs/dbraw/zinc/52/20/46/890522046.db2.gz ISHPIWFWDJMPJE-JOYOIKCWSA-N 1 2 283.332 -1.258 20 0 CAADLO C[C@H](O)C[N@H+]1CCC[C@@](CO)(NC(=O)c2nc[nH]n2)C1 ZINC001421611861 890522053 /nfs/dbraw/zinc/52/20/53/890522053.db2.gz ISHPIWFWDJMPJE-JOYOIKCWSA-N 1 2 283.332 -1.258 20 0 CAADLO CCOCC(=O)N[C@]1(CO)CCC[N@H+](CC(N)=O)C1 ZINC001421596573 890522125 /nfs/dbraw/zinc/52/21/25/890522125.db2.gz FNFXAGSZKYWDKM-GFCCVEGCSA-N 1 2 273.333 -1.549 20 0 CAADLO C[C@H](O)C[N@@H+]1CCC[C@](CO)(NC(=O)c2nc[nH]n2)C1 ZINC001421611855 890522989 /nfs/dbraw/zinc/52/29/89/890522989.db2.gz ISHPIWFWDJMPJE-CABZTGNLSA-N 1 2 283.332 -1.258 20 0 CAADLO C[C@H](O)C[N@H+]1CCC[C@](CO)(NC(=O)c2nc[nH]n2)C1 ZINC001421611855 890522994 /nfs/dbraw/zinc/52/29/94/890522994.db2.gz ISHPIWFWDJMPJE-CABZTGNLSA-N 1 2 283.332 -1.258 20 0 CAADLO CO[C@@H](C)C[N@@H+]1CCOC[C@@H]1CNC(=O)CNC(C)=O ZINC001421677584 890524138 /nfs/dbraw/zinc/52/41/38/890524138.db2.gz ALRHIRJMUNJEKO-JQWIXIFHSA-N 1 2 287.360 -1.026 20 0 CAADLO CO[C@@H](C)C[N@H+]1CCOC[C@@H]1CNC(=O)CNC(C)=O ZINC001421677584 890524151 /nfs/dbraw/zinc/52/41/51/890524151.db2.gz ALRHIRJMUNJEKO-JQWIXIFHSA-N 1 2 287.360 -1.026 20 0 CAADLO CC[N@@H+]1CCOC[C@@H]1CNC(=O)CN(C)S(C)(=O)=O ZINC001421714839 890527681 /nfs/dbraw/zinc/52/76/81/890527681.db2.gz XMGCTNRGFYNWJF-JTQLQIEISA-N 1 2 293.389 -1.285 20 0 CAADLO CC[N@H+]1CCOC[C@@H]1CNC(=O)CN(C)S(C)(=O)=O ZINC001421714839 890527688 /nfs/dbraw/zinc/52/76/88/890527688.db2.gz XMGCTNRGFYNWJF-JTQLQIEISA-N 1 2 293.389 -1.285 20 0 CAADLO O=C(Cn1cnnn1)NCC1([NH2+]Cc2cnon2)CCC1 ZINC001421725205 890529671 /nfs/dbraw/zinc/52/96/71/890529671.db2.gz XVSDTFJNGVOTKE-UHFFFAOYSA-N 1 2 292.303 -1.115 20 0 CAADLO CNC(=O)CCCC(=O)NC[C@@H]1C[N@H+](CCO)CCO1 ZINC001421775834 890531727 /nfs/dbraw/zinc/53/17/27/890531727.db2.gz HMNDUZXFPICSBG-LLVKDONJSA-N 1 2 287.360 -1.288 20 0 CAADLO CNC(=O)CCCC(=O)NC[C@@H]1C[N@@H+](CCO)CCO1 ZINC001421775834 890531734 /nfs/dbraw/zinc/53/17/34/890531734.db2.gz HMNDUZXFPICSBG-LLVKDONJSA-N 1 2 287.360 -1.288 20 0 CAADLO COCC[N@@H+]1CCO[C@H](CNC(=O)[C@H](C)NC(C)=O)C1 ZINC001421775822 890532049 /nfs/dbraw/zinc/53/20/49/890532049.db2.gz GSXCZJNILPSMBR-CMPLNLGQSA-N 1 2 287.360 -1.026 20 0 CAADLO COCC[N@H+]1CCO[C@H](CNC(=O)[C@H](C)NC(C)=O)C1 ZINC001421775822 890532052 /nfs/dbraw/zinc/53/20/52/890532052.db2.gz GSXCZJNILPSMBR-CMPLNLGQSA-N 1 2 287.360 -1.026 20 0 CAADLO C[C@H](CC(N)=O)C(=O)N1CCC2(C[NH+](CC(N)=O)C2)CC1 ZINC001421852960 890536710 /nfs/dbraw/zinc/53/67/10/890536710.db2.gz QLTSIDFSJUTTDQ-SNVBAGLBSA-N 1 2 296.371 -1.092 20 0 CAADLO C[C@@H](CC(N)=O)C(=O)NC[C@H]1CCC2(C[NH+](CCO)C2)O1 ZINC001421922683 890543177 /nfs/dbraw/zinc/54/31/77/890543177.db2.gz XVEBQUPQTHMLOF-WDEREUQCSA-N 1 2 299.371 -1.160 20 0 CAADLO C[C@H](CC(N)=O)C(=O)N[C@@H]1COC2(C[NH+](CCO)C2)C1 ZINC001421929955 890544295 /nfs/dbraw/zinc/54/42/95/890544295.db2.gz BPFYEXLVFJHCNE-ZJUUUORDSA-N 1 2 285.344 -1.550 20 0 CAADLO C[C@@H](CC(N)=O)C(=O)NC[C@@H]1CCC2(C[NH+](CCO)C2)O1 ZINC001421922682 890544418 /nfs/dbraw/zinc/54/44/18/890544418.db2.gz XVEBQUPQTHMLOF-QWRGUYRKSA-N 1 2 299.371 -1.160 20 0 CAADLO NC(=O)[C@H]1C[NH+](Cc2ncnn2CCF)C[C@@H]1C(N)=O ZINC001422054430 890551438 /nfs/dbraw/zinc/55/14/38/890551438.db2.gz SVFDXLCMYJEADS-YUMQZZPRSA-N 1 2 284.295 -1.734 20 0 CAADLO NC(=O)C[NH+]1CCC(CO)(NC(=O)c2ncccn2)CC1 ZINC001422191074 890553524 /nfs/dbraw/zinc/55/35/24/890553524.db2.gz KPSYPTYWXMWALW-UHFFFAOYSA-N 1 2 293.327 -1.481 20 0 CAADLO Cn1ccnc1C1(O)CC[NH+](CC(=O)NC(N)=O)CC1 ZINC001422189619 890553554 /nfs/dbraw/zinc/55/35/54/890553554.db2.gz DWJTWSAHEPMUQM-UHFFFAOYSA-N 1 2 281.316 -1.102 20 0 CAADLO CNC(=O)C[N@H+](C)CCN(C)C(=O)C[C@H]1CCNC1=O ZINC001422165444 890553626 /nfs/dbraw/zinc/55/36/26/890553626.db2.gz AIFJJGUSPFZCLL-SNVBAGLBSA-N 1 2 284.360 -1.351 20 0 CAADLO CNC(=O)C[N@@H+](C)CCN(C)C(=O)C[C@H]1CCNC1=O ZINC001422165444 890553629 /nfs/dbraw/zinc/55/36/29/890553629.db2.gz AIFJJGUSPFZCLL-SNVBAGLBSA-N 1 2 284.360 -1.351 20 0 CAADLO CN(CC[N@H+](C)CC(N)=O)C(=O)[C@H]1CC[C@@H](C(N)=O)C1 ZINC001422198752 890554215 /nfs/dbraw/zinc/55/42/15/890554215.db2.gz HIEOGSZWDCRWNR-ZJUUUORDSA-N 1 2 284.360 -1.237 20 0 CAADLO CN(CC[N@@H+](C)CC(N)=O)C(=O)[C@H]1CC[C@@H](C(N)=O)C1 ZINC001422198752 890554240 /nfs/dbraw/zinc/55/42/40/890554240.db2.gz HIEOGSZWDCRWNR-ZJUUUORDSA-N 1 2 284.360 -1.237 20 0 CAADLO CO[C@H](C(=O)NC1(CO)CC[NH+](CC(N)=O)CC1)C1CC1 ZINC001422193960 890555135 /nfs/dbraw/zinc/55/51/35/890555135.db2.gz IUPCMRTVKFBPJJ-LBPRGKRZSA-N 1 2 299.371 -1.160 20 0 CAADLO CN(CC[N@H+](C)CC(N)=O)C(=O)C[C@@H]1CCN(C)C1=O ZINC001422171287 890555617 /nfs/dbraw/zinc/55/56/17/890555617.db2.gz XTMYKWIAMIHFIR-JTQLQIEISA-N 1 2 284.360 -1.270 20 0 CAADLO CN(CC[N@@H+](C)CC(N)=O)C(=O)C[C@@H]1CCN(C)C1=O ZINC001422171287 890555623 /nfs/dbraw/zinc/55/56/23/890555623.db2.gz XTMYKWIAMIHFIR-JTQLQIEISA-N 1 2 284.360 -1.270 20 0 CAADLO CC[C@H]([NH2+]C[C@@H](O)CNC(=O)c1[nH]nc(C)c1C)C(N)=O ZINC001422262130 890556651 /nfs/dbraw/zinc/55/66/51/890556651.db2.gz DYHYMQAITLAIAC-ZJUUUORDSA-N 1 2 297.359 -1.029 20 0 CAADLO Cc1nn[nH]c1C(=O)NC1(CO)CC[NH+](CC(N)=O)CC1 ZINC001422207968 890557007 /nfs/dbraw/zinc/55/70/07/890557007.db2.gz UDHHAEYIYYMVQC-UHFFFAOYSA-N 1 2 296.331 -1.845 20 0 CAADLO CC[C@@H]([NH2+]C[C@H](O)CNC(=O)c1[nH]nc(C)c1C)C(N)=O ZINC001422262128 890557270 /nfs/dbraw/zinc/55/72/70/890557270.db2.gz DYHYMQAITLAIAC-VHSXEESVSA-N 1 2 297.359 -1.029 20 0 CAADLO C[C@@H]1CO[C@H](C(=O)NC2(CO)CC[NH+](CC(N)=O)CC2)C1 ZINC001422207923 890558061 /nfs/dbraw/zinc/55/80/61/890558061.db2.gz SUEFUSOEKYXVDT-QWRGUYRKSA-N 1 2 299.371 -1.160 20 0 CAADLO C[C@H]1CO[C@H](C(=O)NC2(CO)CC[NH+](CC(N)=O)CC2)C1 ZINC001422207919 890558113 /nfs/dbraw/zinc/55/81/13/890558113.db2.gz SUEFUSOEKYXVDT-MNOVXSKESA-N 1 2 299.371 -1.160 20 0 CAADLO Cc1nn(CC(=O)N(C)CC[N@H+](C)CC(N)=O)c(=O)n1C ZINC001422230075 890558166 /nfs/dbraw/zinc/55/81/66/890558166.db2.gz RFYHXVRIKIOJCY-UHFFFAOYSA-N 1 2 298.347 -2.234 20 0 CAADLO Cc1nn(CC(=O)N(C)CC[N@@H+](C)CC(N)=O)c(=O)n1C ZINC001422230075 890558172 /nfs/dbraw/zinc/55/81/72/890558172.db2.gz RFYHXVRIKIOJCY-UHFFFAOYSA-N 1 2 298.347 -2.234 20 0 CAADLO C[N@H+](Cc1nnc2n1CCNC2=O)C[C@@H]1CNC(=O)C1 ZINC001422234773 890558848 /nfs/dbraw/zinc/55/88/48/890558848.db2.gz MMUCEMIERQWNRC-QMMMGPOBSA-N 1 2 278.316 -1.411 20 0 CAADLO C[N@@H+](Cc1nnc2n1CCNC2=O)C[C@@H]1CNC(=O)C1 ZINC001422234773 890558842 /nfs/dbraw/zinc/55/88/42/890558842.db2.gz MMUCEMIERQWNRC-QMMMGPOBSA-N 1 2 278.316 -1.411 20 0 CAADLO CN(CC[N@H+](C)CC(N)=O)C(=O)[C@H]1CCCCN1C(N)=O ZINC001422236299 890559132 /nfs/dbraw/zinc/55/91/32/890559132.db2.gz WMPSXBOFQCKKCN-SNVBAGLBSA-N 1 2 299.375 -1.205 20 0 CAADLO CN(CC[N@@H+](C)CC(N)=O)C(=O)[C@H]1CCCCN1C(N)=O ZINC001422236299 890559147 /nfs/dbraw/zinc/55/91/47/890559147.db2.gz WMPSXBOFQCKKCN-SNVBAGLBSA-N 1 2 299.375 -1.205 20 0 CAADLO Cc1nnc(C[NH2+]C[C@@H](O)CNC(=O)c2cnn(C)c2)o1 ZINC001422265933 890561353 /nfs/dbraw/zinc/56/13/53/890561353.db2.gz NTCSXAQZGPMYMZ-SNVBAGLBSA-N 1 2 294.315 -1.008 20 0 CAADLO COCC(=O)NC[C@@H](O)C[NH2+]Cc1nc(N(C)C)no1 ZINC001422264836 890562461 /nfs/dbraw/zinc/56/24/61/890562461.db2.gz DVMBOLIURBFCJO-QMMMGPOBSA-N 1 2 287.320 -1.651 20 0 CAADLO CCOCC(=O)NC[C@@H](O)C[NH2+]Cc1nc(C)no1 ZINC001422284724 890566630 /nfs/dbraw/zinc/56/66/30/890566630.db2.gz VGDSXIPZAUTZCM-VIFPVBQESA-N 1 2 272.305 -1.019 20 0 CAADLO Cn1cnc(C(=O)NC[C@@H](O)C[NH2+]Cc2csnn2)n1 ZINC001422319772 890575888 /nfs/dbraw/zinc/57/58/88/890575888.db2.gz ZJWOPIHHWZTGBR-QMMMGPOBSA-N 1 2 297.344 -1.453 20 0 CAADLO O=C(NC[C@@H](O)C[NH2+]Cc1csnn1)[C@H]1[C@@H]2COC[C@@H]21 ZINC001422367006 890583487 /nfs/dbraw/zinc/58/34/87/890583487.db2.gz XSIOBEBTQFQRAP-UKKRHICBSA-N 1 2 298.368 -1.003 20 0 CAADLO Cn1ncnc1C[NH2+]C[C@@H](O)CNC(=O)c1nnc[nH]1 ZINC001422374797 890585042 /nfs/dbraw/zinc/58/50/42/890585042.db2.gz QMHWSOKTUVPACN-SSDOTTSWSA-N 1 2 280.292 -2.186 20 0 CAADLO Cc1nnc(C[NH2+]C[C@@H](O)CNC(=O)Cc2ncc[nH]2)o1 ZINC001422401724 890586880 /nfs/dbraw/zinc/58/68/80/890586880.db2.gz ZXUCFGSFCAIKRN-SECBINFHSA-N 1 2 294.315 -1.089 20 0 CAADLO C[C@@H](NC(=O)c1cnn(C)n1)[C@H](C)[NH2+]Cc1nnn(C)n1 ZINC001422390366 890587534 /nfs/dbraw/zinc/58/75/34/890587534.db2.gz JJEGTIJXVXRVLI-JGVFFNPUSA-N 1 2 293.335 -1.365 20 0 CAADLO Cn1ccc(C[NH2+]C[C@H](O)CNC(=O)Cc2nnc[nH]2)n1 ZINC001422399229 890587838 /nfs/dbraw/zinc/58/78/38/890587838.db2.gz MSKQWRLCTZHJSS-JTQLQIEISA-N 1 2 293.331 -1.652 20 0 CAADLO Cn1ncnc1C[NH2+]C[C@@H](O)CNC(=O)Cc1nnc[nH]1 ZINC001422399193 890588218 /nfs/dbraw/zinc/58/82/18/890588218.db2.gz MLUOEFQXMNDRLV-MRVPVSSYSA-N 1 2 294.319 -2.257 20 0 CAADLO Cn1ncnc1C[NH2+]C[C@H](O)CNC(=O)Cc1nnc[nH]1 ZINC001422399196 890588772 /nfs/dbraw/zinc/58/87/72/890588772.db2.gz MLUOEFQXMNDRLV-QMMMGPOBSA-N 1 2 294.319 -2.257 20 0 CAADLO Cc1nnc(C[NH2+]C[C@H](O)CNC(=O)Cc2ncc[nH]2)o1 ZINC001422401733 890589162 /nfs/dbraw/zinc/58/91/62/890589162.db2.gz ZXUCFGSFCAIKRN-VIFPVBQESA-N 1 2 294.315 -1.089 20 0 CAADLO Cc1noc(C[NH2+]C[C@@H](O)CNC(=O)Cn2cncn2)n1 ZINC001422416484 890591956 /nfs/dbraw/zinc/59/19/56/890591956.db2.gz XEFJHXULHUVWLV-SECBINFHSA-N 1 2 295.303 -1.764 20 0 CAADLO C[C@@H](CNC(=O)c1cn(C)ccc1=O)[N@H+](C)CC(N)=O ZINC001422532591 890594873 /nfs/dbraw/zinc/59/48/73/890594873.db2.gz GAOKQZRYAKQEAW-VIFPVBQESA-N 1 2 280.328 -1.079 20 0 CAADLO C[C@@H](CNC(=O)c1cn(C)ccc1=O)[N@@H+](C)CC(N)=O ZINC001422532591 890594881 /nfs/dbraw/zinc/59/48/81/890594881.db2.gz GAOKQZRYAKQEAW-VIFPVBQESA-N 1 2 280.328 -1.079 20 0 CAADLO C[C@H](CNC(=O)c1cn(C)ccc1=O)[N@H+](C)CC(N)=O ZINC001422532587 890596352 /nfs/dbraw/zinc/59/63/52/890596352.db2.gz GAOKQZRYAKQEAW-SECBINFHSA-N 1 2 280.328 -1.079 20 0 CAADLO C[C@H](CNC(=O)c1cn(C)ccc1=O)[N@@H+](C)CC(N)=O ZINC001422532587 890596364 /nfs/dbraw/zinc/59/63/64/890596364.db2.gz GAOKQZRYAKQEAW-SECBINFHSA-N 1 2 280.328 -1.079 20 0 CAADLO CCc1nnc(C[NH2+]C[C@@H](C)NC(=O)Cn2ncnn2)o1 ZINC001422489854 890596383 /nfs/dbraw/zinc/59/63/83/890596383.db2.gz HCRFZZXWDKVEFQ-MRVPVSSYSA-N 1 2 294.319 -1.087 20 0 CAADLO CNC(=O)NC(=O)C[N@H+](C)[C@H](C)CNC(=O)c1nnc[nH]1 ZINC001422562718 890600164 /nfs/dbraw/zinc/60/01/64/890600164.db2.gz FJVGVMKUQICCEV-SSDOTTSWSA-N 1 2 297.319 -1.690 20 0 CAADLO CNC(=O)NC(=O)C[N@@H+](C)[C@H](C)CNC(=O)c1nnc[nH]1 ZINC001422562718 890600171 /nfs/dbraw/zinc/60/01/71/890600171.db2.gz FJVGVMKUQICCEV-SSDOTTSWSA-N 1 2 297.319 -1.690 20 0 CAADLO COCC[NH+]1CC(CCO)(NC(=O)CCn2cncn2)C1 ZINC001422596991 890601043 /nfs/dbraw/zinc/60/10/43/890601043.db2.gz LLFCNGQYQFTASO-UHFFFAOYSA-N 1 2 297.359 -1.132 20 0 CAADLO Cc1[nH]c(=O)[nH]c1C(=O)NC1(CCO)C[NH+](CCCO)C1 ZINC001422627602 890604140 /nfs/dbraw/zinc/60/41/40/890604140.db2.gz GXSZBCVAEAGOTJ-UHFFFAOYSA-N 1 2 298.343 -1.027 20 0 CAADLO Cn1ncc(CCC(=O)NC2(CCO)C[NH+](CCO)C2)n1 ZINC001422634210 890606068 /nfs/dbraw/zinc/60/60/68/890606068.db2.gz MUIWJLWUJYTCDQ-UHFFFAOYSA-N 1 2 297.359 -1.707 20 0 CAADLO O=C(CCc1cnccn1)NC1(CCO)C[NH+](CCO)C1 ZINC001422650302 890607052 /nfs/dbraw/zinc/60/70/52/890607052.db2.gz LTSIKDLAQYKTES-UHFFFAOYSA-N 1 2 294.355 -1.046 20 0 CAADLO CC(=O)N1CCC[C@@H]1C(=O)NC1(CCO)C[NH+](CCO)C1 ZINC001422653374 890607069 /nfs/dbraw/zinc/60/70/69/890607069.db2.gz RUXPOVBTONRTLP-GFCCVEGCSA-N 1 2 299.371 -1.457 20 0 CAADLO C[C@@H](NC(=O)CNC(=O)C1CC1)C1C[NH+](CC(N)=O)C1 ZINC001422720371 890608954 /nfs/dbraw/zinc/60/89/54/890608954.db2.gz NFUDHQZITBRZED-MRVPVSSYSA-N 1 2 282.344 -1.566 20 0 CAADLO CC(=O)N[C@H](C)C(=O)N[C@H](C)C1C[NH+](CC(N)=O)C1 ZINC001422703992 890610014 /nfs/dbraw/zinc/61/00/14/890610014.db2.gz IDYQSZBFKSDNAS-HTQZYQBOSA-N 1 2 270.333 -1.567 20 0 CAADLO CNC(=O)NCC(=O)N[C@H](C)C1C[NH+](CC(N)=O)C1 ZINC001422727621 890610118 /nfs/dbraw/zinc/61/01/18/890610118.db2.gz GUICSMBGYGBSPS-SSDOTTSWSA-N 1 2 271.321 -2.163 20 0 CAADLO CC(=O)N[C@@H](C)C(=O)N[C@H](C)C1C[NH+](CC(N)=O)C1 ZINC001422704006 890610759 /nfs/dbraw/zinc/61/07/59/890610759.db2.gz IDYQSZBFKSDNAS-SFYZADRCSA-N 1 2 270.333 -1.567 20 0 CAADLO CNC(=O)C[N@H+](C)C[C@H](C)NC(=O)CCc1nnc[nH]1 ZINC001422790950 890612393 /nfs/dbraw/zinc/61/23/93/890612393.db2.gz FYOKPPKKBJGCTC-VIFPVBQESA-N 1 2 282.348 -1.080 20 0 CAADLO CNC(=O)C[N@@H+](C)C[C@H](C)NC(=O)CCc1nnc[nH]1 ZINC001422790950 890612397 /nfs/dbraw/zinc/61/23/97/890612397.db2.gz FYOKPPKKBJGCTC-VIFPVBQESA-N 1 2 282.348 -1.080 20 0 CAADLO C[C@@H](NC(=O)[C@H](C)S(C)(=O)=O)C1C[NH+](CCO)C1 ZINC001422744115 890614243 /nfs/dbraw/zinc/61/42/43/890614243.db2.gz VGOKDBVAMDXQCD-BDAKNGLRSA-N 1 2 278.374 -1.152 20 0 CAADLO C[C@H](C[N@H+](C)Cc1cnnn1C)NC(=O)c1nnn(C)n1 ZINC001422870042 890616925 /nfs/dbraw/zinc/61/69/25/890616925.db2.gz ULUPRHYBRPGIJG-MRVPVSSYSA-N 1 2 293.335 -1.411 20 0 CAADLO C[C@H](C[N@@H+](C)Cc1cnnn1C)NC(=O)c1nnn(C)n1 ZINC001422870042 890616933 /nfs/dbraw/zinc/61/69/33/890616933.db2.gz ULUPRHYBRPGIJG-MRVPVSSYSA-N 1 2 293.335 -1.411 20 0 CAADLO CNC(=O)C1CC[NH+](Cc2cn(CC(N)=O)nn2)CC1 ZINC001423015945 890622295 /nfs/dbraw/zinc/62/22/95/890622295.db2.gz CAQFOVGDMDBLHG-UHFFFAOYSA-N 1 2 280.332 -1.279 20 0 CAADLO CC(=O)N[C@H](C)C(=O)NC[C@H]1CC[N@@H+]1CC(=O)N(C)C ZINC001423050819 890622591 /nfs/dbraw/zinc/62/25/91/890622591.db2.gz ROEHOUSGJNNAFT-MWLCHTKSSA-N 1 2 284.360 -1.210 20 0 CAADLO CC(=O)N[C@H](C)C(=O)NC[C@H]1CC[N@H+]1CC(=O)N(C)C ZINC001423050819 890622599 /nfs/dbraw/zinc/62/25/99/890622599.db2.gz ROEHOUSGJNNAFT-MWLCHTKSSA-N 1 2 284.360 -1.210 20 0 CAADLO CC(=O)N(C)CC(=O)NC[C@H]1CC[N@H+]1[C@H](C)C(N)=O ZINC001423061960 890623057 /nfs/dbraw/zinc/62/30/57/890623057.db2.gz QBVAQHGNRMWBNK-PSASIEDQSA-N 1 2 270.333 -1.471 20 0 CAADLO CC(=O)N(C)CC(=O)NC[C@H]1CC[N@@H+]1[C@H](C)C(N)=O ZINC001423061960 890623063 /nfs/dbraw/zinc/62/30/63/890623063.db2.gz QBVAQHGNRMWBNK-PSASIEDQSA-N 1 2 270.333 -1.471 20 0 CAADLO CC(=O)N(C)CC(=O)NC[C@H]1CC[N@@H+]1[C@H]1CCN(C)C1=O ZINC001423052878 890623157 /nfs/dbraw/zinc/62/31/57/890623157.db2.gz ARSRPYBYZSFDLU-NEPJUHHUSA-N 1 2 296.371 -1.114 20 0 CAADLO CC(=O)N(C)CC(=O)NC[C@H]1CC[N@H+]1[C@H]1CCN(C)C1=O ZINC001423052878 890623161 /nfs/dbraw/zinc/62/31/61/890623161.db2.gz ARSRPYBYZSFDLU-NEPJUHHUSA-N 1 2 296.371 -1.114 20 0 CAADLO CC(=O)N[C@H](C)C(=O)NC[C@@H]1CC[N@@H+]1CC(=O)N(C)C ZINC001423050809 890624279 /nfs/dbraw/zinc/62/42/79/890624279.db2.gz ROEHOUSGJNNAFT-KOLCDFICSA-N 1 2 284.360 -1.210 20 0 CAADLO C[C@H](C(=O)N(C)C)[N@@H+]1CC[C@@H]1CNC(=O)Cn1cnnn1 ZINC001423077802 890625807 /nfs/dbraw/zinc/62/58/07/890625807.db2.gz KDWJEAHMDYIXFC-NXEZZACHSA-N 1 2 295.347 -1.660 20 0 CAADLO C[C@H](C(=O)N(C)C)[N@H+]1CC[C@@H]1CNC(=O)Cn1cnnn1 ZINC001423077802 890625813 /nfs/dbraw/zinc/62/58/13/890625813.db2.gz KDWJEAHMDYIXFC-NXEZZACHSA-N 1 2 295.347 -1.660 20 0 CAADLO CNC(=O)NCCC(=O)NC[C@H]1CC[N@@H+]1[C@@H](C)C(=O)NC ZINC001423084580 890625896 /nfs/dbraw/zinc/62/58/96/890625896.db2.gz OYQNYYCNVWUKEA-VHSXEESVSA-N 1 2 299.375 -1.370 20 0 CAADLO CNC(=O)NCCC(=O)NC[C@H]1CC[N@H+]1[C@@H](C)C(=O)NC ZINC001423084580 890625898 /nfs/dbraw/zinc/62/58/98/890625898.db2.gz OYQNYYCNVWUKEA-VHSXEESVSA-N 1 2 299.375 -1.370 20 0 CAADLO CNC(=O)NCC(=O)NC[C@@H]1CC[N@@H+]1[C@H]1CCNC1=O ZINC001423093550 890626044 /nfs/dbraw/zinc/62/60/44/890626044.db2.gz OCKNGBFRAYRMMX-IUCAKERBSA-N 1 2 283.332 -2.006 20 0 CAADLO CNC(=O)NCC(=O)NC[C@@H]1CC[N@H+]1[C@H]1CCNC1=O ZINC001423093550 890626051 /nfs/dbraw/zinc/62/60/51/890626051.db2.gz OCKNGBFRAYRMMX-IUCAKERBSA-N 1 2 283.332 -2.006 20 0 CAADLO CNC(=O)NCC(=O)NC[C@@H]1CC[N@@H+]1[C@@H]1CCNC1=O ZINC001423093443 890626847 /nfs/dbraw/zinc/62/68/47/890626847.db2.gz OCKNGBFRAYRMMX-DTWKUNHWSA-N 1 2 283.332 -2.006 20 0 CAADLO CNC(=O)NCC(=O)NC[C@@H]1CC[N@H+]1[C@@H]1CCNC1=O ZINC001423093443 890626858 /nfs/dbraw/zinc/62/68/58/890626858.db2.gz OCKNGBFRAYRMMX-DTWKUNHWSA-N 1 2 283.332 -2.006 20 0 CAADLO CN1CC[C@@H]([N@@H+]2CC[C@H]2CNC(=O)Cn2ncnn2)C1=O ZINC001423105891 890627293 /nfs/dbraw/zinc/62/72/93/890627293.db2.gz ZMHSLUJIJWZNJY-VHSXEESVSA-N 1 2 293.331 -1.906 20 0 CAADLO CN1CC[C@@H]([N@H+]2CC[C@H]2CNC(=O)Cn2ncnn2)C1=O ZINC001423105891 890627302 /nfs/dbraw/zinc/62/73/02/890627302.db2.gz ZMHSLUJIJWZNJY-VHSXEESVSA-N 1 2 293.331 -1.906 20 0 CAADLO O=C(Cn1cncn1)NC[C@H]1CC[N@@H+]1[C@H]1CCCNC1=O ZINC001423156208 890628842 /nfs/dbraw/zinc/62/88/42/890628842.db2.gz DJHAWUQVTGSVKC-MNOVXSKESA-N 1 2 292.343 -1.253 20 0 CAADLO O=C(Cn1cncn1)NC[C@H]1CC[N@H+]1[C@H]1CCCNC1=O ZINC001423156208 890628850 /nfs/dbraw/zinc/62/88/50/890628850.db2.gz DJHAWUQVTGSVKC-MNOVXSKESA-N 1 2 292.343 -1.253 20 0 CAADLO CN(C)C(=O)C[N@@H+]1CC[C@H]1CNC(=O)CCNC(N)=O ZINC001423158014 890629132 /nfs/dbraw/zinc/62/91/32/890629132.db2.gz QDXGFTSUBWKPFX-VIFPVBQESA-N 1 2 285.348 -1.677 20 0 CAADLO CN(C)C(=O)C[N@H+]1CC[C@H]1CNC(=O)CCNC(N)=O ZINC001423158014 890629140 /nfs/dbraw/zinc/62/91/40/890629140.db2.gz QDXGFTSUBWKPFX-VIFPVBQESA-N 1 2 285.348 -1.677 20 0 CAADLO Cn1ncnc1C[NH2+][C@H](CO)CNC(=O)C1=COCCO1 ZINC001423177706 890631705 /nfs/dbraw/zinc/63/17/05/890631705.db2.gz OJAPPXXDICAOCX-VIFPVBQESA-N 1 2 297.315 -1.730 20 0 CAADLO CCC(=O)NC[C@@H](CO)[NH2+]Cc1cc(=O)n2[nH]ccc2n1 ZINC001423177412 890631844 /nfs/dbraw/zinc/63/18/44/890631844.db2.gz BGAHBMJKKKWWNW-JTQLQIEISA-N 1 2 293.327 -1.001 20 0 CAADLO COCC(=O)NC[C@@H](CO)[NH2+][C@@H](C)c1nnnn1C1CC1 ZINC001423180511 890632808 /nfs/dbraw/zinc/63/28/08/890632808.db2.gz FVSAMHUIZOOMRS-IUCAKERBSA-N 1 2 298.347 -1.218 20 0 CAADLO CCCn1nnnc1C[NH2+][C@H](CO)CNC(=O)C(F)F ZINC001423179555 890632825 /nfs/dbraw/zinc/63/28/25/890632825.db2.gz PTNQJPRPAFVEQK-ZETCQYMHSA-N 1 2 292.290 -1.085 20 0 CAADLO CCCn1nnnc1C[NH2+][C@@H](CO)CNC(=O)C(F)F ZINC001423179553 890632849 /nfs/dbraw/zinc/63/28/49/890632849.db2.gz PTNQJPRPAFVEQK-SSDOTTSWSA-N 1 2 292.290 -1.085 20 0 CAADLO Cn1[nH]c(C[NH2+][C@H](CO)CNC(=O)C2CCC2)nc1=O ZINC001423174095 890633010 /nfs/dbraw/zinc/63/30/10/890633010.db2.gz GVCZSKBYTJZFQO-VIFPVBQESA-N 1 2 283.332 -1.525 20 0 CAADLO Cn1ncnc1C[NH2+][C@@H](CO)CNC(=O)C1=COCCO1 ZINC001423177700 890633439 /nfs/dbraw/zinc/63/34/39/890633439.db2.gz OJAPPXXDICAOCX-SECBINFHSA-N 1 2 297.315 -1.730 20 0 CAADLO Cn1[nH]c(C[NH2+][C@@H](CO)CNC(=O)C2CCC2)nc1=O ZINC001423174091 890633522 /nfs/dbraw/zinc/63/35/22/890633522.db2.gz GVCZSKBYTJZFQO-SECBINFHSA-N 1 2 283.332 -1.525 20 0 CAADLO Cc1cc(C(=O)NC[C@@H](CO)[NH2+]Cc2nncn2C)no1 ZINC001423187087 890634561 /nfs/dbraw/zinc/63/45/61/890634561.db2.gz AGRVPJZEVACIBK-VIFPVBQESA-N 1 2 294.315 -1.008 20 0 CAADLO Cc1ncc(C(=O)NC[C@@H](CO)[NH2+]Cc2cnn(C)n2)[nH]1 ZINC001423188736 890635030 /nfs/dbraw/zinc/63/50/30/890635030.db2.gz HQWMJEFZUNMHFJ-JTQLQIEISA-N 1 2 293.331 -1.273 20 0 CAADLO COCCC(=O)NC[C@@H](CO)[NH2+]Cc1nnnn1C ZINC001423184365 890635840 /nfs/dbraw/zinc/63/58/40/890635840.db2.gz LGIKIPGLUKBBIU-QMMMGPOBSA-N 1 2 272.309 -2.187 20 0 CAADLO CC(=O)NC[C@H](CO)[NH2+]Cc1nnnn1C1CCOCC1 ZINC001423185035 890636355 /nfs/dbraw/zinc/63/63/55/890636355.db2.gz NIZHFCFSUSZGNV-SNVBAGLBSA-N 1 2 298.347 -1.389 20 0 CAADLO Cn1cc(C(=O)NC[C@H](CO)[NH2+]Cc2ncnn2C)cn1 ZINC001423200803 890638347 /nfs/dbraw/zinc/63/83/47/890638347.db2.gz XBPRTDXHEHJXFS-SNVBAGLBSA-N 1 2 293.331 -1.571 20 0 CAADLO CC(=O)N[C@H](C)C(=O)NC[C@H](CO)[NH2+]Cc1nnnn1C ZINC001423200657 890638506 /nfs/dbraw/zinc/63/85/06/890638506.db2.gz WAODRUILGVUASO-VXNVDRBHSA-N 1 2 299.335 -2.699 20 0 CAADLO Cn1cnnc1C[NH2+][C@@H](CO)CNC(=O)[C@H]1CCCO1 ZINC001423193781 890638602 /nfs/dbraw/zinc/63/86/02/890638602.db2.gz LDYFDETUARMPSA-NXEZZACHSA-N 1 2 283.332 -1.439 20 0 CAADLO Cn1cnnc1C[NH2+][C@H](CO)CNC(=O)[C@H]1CCCO1 ZINC001423193797 890639286 /nfs/dbraw/zinc/63/92/86/890639286.db2.gz LDYFDETUARMPSA-VHSXEESVSA-N 1 2 283.332 -1.439 20 0 CAADLO Cn1ncc(C[NH2+][C@H](CO)CNC(=O)C[C@@H]2CCOC2)n1 ZINC001423198677 890639582 /nfs/dbraw/zinc/63/95/82/890639582.db2.gz UKUGOFVPRCCAOU-JQWIXIFHSA-N 1 2 297.359 -1.192 20 0 CAADLO Cn1ncc(C[NH2+][C@H](CO)CNC(=O)[C@H]2CCOC2)n1 ZINC001423197144 890639840 /nfs/dbraw/zinc/63/98/40/890639840.db2.gz ALFUAGZPDBWZMG-ONGXEEELSA-N 1 2 283.332 -1.582 20 0 CAADLO Cc1ncc(C(=O)NC[C@@H](CO)[NH2+]Cc2ncnn2C)[nH]1 ZINC001423195921 890639920 /nfs/dbraw/zinc/63/99/20/890639920.db2.gz YMINFLYNVHATTA-VIFPVBQESA-N 1 2 293.331 -1.273 20 0 CAADLO Cn1ncc(C[NH2+]C2(CNC(=O)[C@H]3CCC(=O)N3)CC2)n1 ZINC001423197738 890640164 /nfs/dbraw/zinc/64/01/64/890640164.db2.gz CSWSJGRYXNUYIP-SNVBAGLBSA-N 1 2 292.343 -1.168 20 0 CAADLO Cc1ncc(C(=O)NC[C@H](CO)[NH2+]Cc2ncnn2C)[nH]1 ZINC001423195920 890640255 /nfs/dbraw/zinc/64/02/55/890640255.db2.gz YMINFLYNVHATTA-SECBINFHSA-N 1 2 293.331 -1.273 20 0 CAADLO Cc1nonc1C[NH2+][C@@H](CO)CNC(=O)c1cn(C)cn1 ZINC001423209016 890641188 /nfs/dbraw/zinc/64/11/88/890641188.db2.gz CQKTXXIGGLTTKY-SECBINFHSA-N 1 2 294.315 -1.008 20 0 CAADLO CC[C@H](OC)C(=O)NC[C@@H](CO)[NH2+]Cc1cn(C)nn1 ZINC001423207415 890642688 /nfs/dbraw/zinc/64/26/88/890642688.db2.gz PCWZJEDAYOGEGU-QWRGUYRKSA-N 1 2 285.348 -1.193 20 0 CAADLO Cc1nocc1C[NH2+][C@H](CO)CNC(=O)c1cn[nH]n1 ZINC001423226301 890647696 /nfs/dbraw/zinc/64/76/96/890647696.db2.gz HHWVBXZFXZVPEM-VIFPVBQESA-N 1 2 280.288 -1.018 20 0 CAADLO Cc1nocc1C[NH2+][C@H](CO)CNC(=O)c1cnn[nH]1 ZINC001423226301 890647699 /nfs/dbraw/zinc/64/76/99/890647699.db2.gz HHWVBXZFXZVPEM-VIFPVBQESA-N 1 2 280.288 -1.018 20 0 CAADLO C[C@@H]([NH2+]C1(CNC(=O)c2cn[nH]n2)CC1)c1nnnn1C ZINC001423241340 890650413 /nfs/dbraw/zinc/65/04/13/890650413.db2.gz UDWBIJIMUAWAEF-SSDOTTSWSA-N 1 2 291.319 -1.059 20 0 CAADLO Cc1nc(C(=O)NC[C@H](CO)[NH2+]Cc2nnnn2C)co1 ZINC001423240412 890651731 /nfs/dbraw/zinc/65/17/31/890651731.db2.gz YJEKLDDOJBQDOW-MRVPVSSYSA-N 1 2 295.303 -1.613 20 0 CAADLO COC1CC(C(=O)NC[C@@H](CO)[NH2+]Cc2cn(C)nn2)C1 ZINC001423233392 890652275 /nfs/dbraw/zinc/65/22/75/890652275.db2.gz YAYXNFSAJDHSCZ-ZYXZCXLHSA-N 1 2 297.359 -1.193 20 0 CAADLO Cc1cc(C[NH2+][C@@H](CO)CNC(=O)c2cn[nH]n2)nn1C ZINC001423235150 890652482 /nfs/dbraw/zinc/65/24/82/890652482.db2.gz ZYDYPOWZVGGKKO-SNVBAGLBSA-N 1 2 293.331 -1.273 20 0 CAADLO C[C@@H](CC(N)=O)C(=O)NC[C@H](CO)[NH2+]Cc1cn(C)nn1 ZINC001423258721 890654607 /nfs/dbraw/zinc/65/46/07/890654607.db2.gz FUENMYLNSTYOHZ-WCBMZHEXSA-N 1 2 298.347 -2.107 20 0 CAADLO Cn1ncnc1C[NH2+][C@@H](CO)CNC(=O)c1n[nH]cc1F ZINC001423275636 890656635 /nfs/dbraw/zinc/65/66/35/890656635.db2.gz WUYSXTWTKQTRNF-SSDOTTSWSA-N 1 2 297.294 -1.442 20 0 CAADLO Cn1[nH]c(C[NH2+][C@@H](CO)CNC(=O)[C@@H]2CC23CC3)nc1=O ZINC001423275536 890657195 /nfs/dbraw/zinc/65/71/95/890657195.db2.gz VYTKGZZNYOJRMC-BDAKNGLRSA-N 1 2 295.343 -1.525 20 0 CAADLO Cc1c[nH]c(C(=O)NC[C@@H](CO)[NH2+]Cc2cn(C)nn2)n1 ZINC001423263838 890657786 /nfs/dbraw/zinc/65/77/86/890657786.db2.gz JINVLSRGQPKASW-JTQLQIEISA-N 1 2 293.331 -1.273 20 0 CAADLO Cc1nocc1C(=O)NC[C@@H](CO)[NH2+]Cc1ncnn1C ZINC001423263055 890658353 /nfs/dbraw/zinc/65/83/53/890658353.db2.gz ZYUZFTNNAMRTOZ-VIFPVBQESA-N 1 2 294.315 -1.008 20 0 CAADLO Cc1c[nH]c(C(=O)NC[C@H](CO)[NH2+]Cc2cn(C)nn2)n1 ZINC001423263839 890658739 /nfs/dbraw/zinc/65/87/39/890658739.db2.gz JINVLSRGQPKASW-SNVBAGLBSA-N 1 2 293.331 -1.273 20 0 CAADLO CS(=O)(=O)CC[NH2+][C@@H](CO)CNC(=O)c1ncn[nH]1 ZINC001423293877 890661313 /nfs/dbraw/zinc/66/13/13/890661313.db2.gz UNUCVNQJFLCINZ-SSDOTTSWSA-N 1 2 291.333 -2.470 20 0 CAADLO CS(=O)(=O)CC[NH2+][C@@H](CO)CNC(=O)c1nc[nH]n1 ZINC001423293877 890661318 /nfs/dbraw/zinc/66/13/18/890661318.db2.gz UNUCVNQJFLCINZ-SSDOTTSWSA-N 1 2 291.333 -2.470 20 0 CAADLO Cn1ncnc1C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCC(=O)N1 ZINC001423288039 890661398 /nfs/dbraw/zinc/66/13/98/890661398.db2.gz XXGGSGXIOVFGQO-BDAKNGLRSA-N 1 2 296.331 -2.340 20 0 CAADLO Cn1cc(C[NH2+][C@H](CO)CNC(=O)[C@@H]2CCC(=O)N2)nn1 ZINC001423281639 890661521 /nfs/dbraw/zinc/66/15/21/890661521.db2.gz IKQHAINDRXYDFH-UWVGGRQHSA-N 1 2 296.331 -2.340 20 0 CAADLO CCN(C)C(=O)C[NH2+][C@H](CO)CNC(=O)Cc1nnc[nH]1 ZINC001423280717 890661649 /nfs/dbraw/zinc/66/16/49/890661649.db2.gz NWUCBLCTFFCXAB-VIFPVBQESA-N 1 2 298.347 -2.108 20 0 CAADLO Cn1nncc1C[NH2+][C@@H](CO)CNC(=O)c1nnc[nH]1 ZINC001423292231 890661717 /nfs/dbraw/zinc/66/17/17/890661717.db2.gz RIAQXHHSTVOULZ-SSDOTTSWSA-N 1 2 280.292 -2.186 20 0 CAADLO Cn1nncc1C[NH2+][C@@H](CO)CNC(=O)c1ncn[nH]1 ZINC001423292231 890661721 /nfs/dbraw/zinc/66/17/21/890661721.db2.gz RIAQXHHSTVOULZ-SSDOTTSWSA-N 1 2 280.292 -2.186 20 0 CAADLO Cn1nncc1C[NH2+][C@@H](CO)CNC(=O)c1nc[nH]n1 ZINC001423292231 890661726 /nfs/dbraw/zinc/66/17/26/890661726.db2.gz RIAQXHHSTVOULZ-SSDOTTSWSA-N 1 2 280.292 -2.186 20 0 CAADLO Cn1nnnc1C[NH2+]C1(CNC(=O)Cc2ncc[nH]2)CC1 ZINC001423283852 890662011 /nfs/dbraw/zinc/66/20/11/890662011.db2.gz YJNQLQQTEJCHBN-UHFFFAOYSA-N 1 2 290.331 -1.086 20 0 CAADLO Cc1nonc1C[NH2+][C@H](CO)CNC(=O)c1ccn(C)n1 ZINC001423299507 890665223 /nfs/dbraw/zinc/66/52/23/890665223.db2.gz DLNMWEXYBJUQIY-VIFPVBQESA-N 1 2 294.315 -1.008 20 0 CAADLO CS(=O)(=O)C1CC([NH2+]Cc2nnc3n2CCNC3=O)C1 ZINC001423387408 890667089 /nfs/dbraw/zinc/66/70/89/890667089.db2.gz PCWULBXELBDSLS-UHFFFAOYSA-N 1 2 299.356 -1.313 20 0 CAADLO Cc1nnc(C[NH2+][C@H](CO)CNC(=O)Cn2cncn2)[nH]1 ZINC001423317145 890667281 /nfs/dbraw/zinc/66/72/81/890667281.db2.gz OUWMCSSKJJJLDA-VIFPVBQESA-N 1 2 294.319 -2.028 20 0 CAADLO COCC(=O)N[C@H]1CCC[N@H+](CC(=O)NC(N)=O)[C@@H]1C ZINC001423355597 890667699 /nfs/dbraw/zinc/66/76/99/890667699.db2.gz HDUKNHUGALOSOQ-BDAKNGLRSA-N 1 2 286.332 -1.203 20 0 CAADLO COCC(=O)N[C@H]1CCC[N@@H+](CC(=O)NC(N)=O)[C@@H]1C ZINC001423355597 890667708 /nfs/dbraw/zinc/66/77/08/890667708.db2.gz HDUKNHUGALOSOQ-BDAKNGLRSA-N 1 2 286.332 -1.203 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(N(C)C(=O)[C@H]2CCC(=O)N2)C1 ZINC001423379050 890668081 /nfs/dbraw/zinc/66/80/81/890668081.db2.gz QKACLSVRBCNAEK-WDEREUQCSA-N 1 2 285.344 -1.585 20 0 CAADLO Cc1nnc(C[NH2+][C@@H](CO)CNC(=O)Cn2cncn2)[nH]1 ZINC001423317138 890668326 /nfs/dbraw/zinc/66/83/26/890668326.db2.gz OUWMCSSKJJJLDA-SECBINFHSA-N 1 2 294.319 -2.028 20 0 CAADLO COCC(=O)N[C@@H]1CCC[N@H+](CC(=O)NC(N)=O)[C@H]1C ZINC001423355602 890668562 /nfs/dbraw/zinc/66/85/62/890668562.db2.gz HDUKNHUGALOSOQ-DTWKUNHWSA-N 1 2 286.332 -1.203 20 0 CAADLO COCC(=O)N[C@@H]1CCC[N@@H+](CC(=O)NC(N)=O)[C@H]1C ZINC001423355602 890668565 /nfs/dbraw/zinc/66/85/65/890668565.db2.gz HDUKNHUGALOSOQ-DTWKUNHWSA-N 1 2 286.332 -1.203 20 0 CAADLO CC(=O)N[C@@H](CC(=O)N(C)C1C[NH+](CCO)C1)C(N)=O ZINC001423424962 890671347 /nfs/dbraw/zinc/67/13/47/890671347.db2.gz JOPVTFCQOVDBOE-JTQLQIEISA-N 1 2 286.332 -2.499 20 0 CAADLO C[C@@]1(NC(=O)Cc2nnc[nH]2)CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001423582956 890683761 /nfs/dbraw/zinc/68/37/61/890683761.db2.gz IVLSABNPABOOCU-NOZJJQNGSA-N 1 2 292.343 -1.184 20 0 CAADLO C[C@@]1(NC(=O)Cc2nnc[nH]2)CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001423582956 890683768 /nfs/dbraw/zinc/68/37/68/890683768.db2.gz IVLSABNPABOOCU-NOZJJQNGSA-N 1 2 292.343 -1.184 20 0 CAADLO CC(C)N(CC[N@H+](C)CC(N)=O)C(=O)[C@H]1CN(C)C(=O)N1 ZINC001423555296 890683901 /nfs/dbraw/zinc/68/39/01/890683901.db2.gz IYLQLTZJEZBTFP-SNVBAGLBSA-N 1 2 299.375 -1.336 20 0 CAADLO CC(C)N(CC[N@@H+](C)CC(N)=O)C(=O)[C@H]1CN(C)C(=O)N1 ZINC001423555296 890683906 /nfs/dbraw/zinc/68/39/06/890683906.db2.gz IYLQLTZJEZBTFP-SNVBAGLBSA-N 1 2 299.375 -1.336 20 0 CAADLO Cc1nnc(CC(=O)N[C@@]2(C)CC[N@H+](CC(N)=O)C2)o1 ZINC001423560659 890684631 /nfs/dbraw/zinc/68/46/31/890684631.db2.gz HBUBQABJIXXXFP-LBPRGKRZSA-N 1 2 281.316 -1.014 20 0 CAADLO Cc1nnc(CC(=O)N[C@@]2(C)CC[N@@H+](CC(N)=O)C2)o1 ZINC001423560659 890684635 /nfs/dbraw/zinc/68/46/35/890684635.db2.gz HBUBQABJIXXXFP-LBPRGKRZSA-N 1 2 281.316 -1.014 20 0 CAADLO C[C@@]1(NC(=O)Cc2nnc[nH]2)CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001423582959 890684929 /nfs/dbraw/zinc/68/49/29/890684929.db2.gz IVLSABNPABOOCU-TVQRCGJNSA-N 1 2 292.343 -1.184 20 0 CAADLO C[C@@]1(NC(=O)Cc2nnc[nH]2)CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001423582959 890684935 /nfs/dbraw/zinc/68/49/35/890684935.db2.gz IVLSABNPABOOCU-TVQRCGJNSA-N 1 2 292.343 -1.184 20 0 CAADLO CC(C)N(CC[N@H+](C)CC(N)=O)C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001423555291 890684962 /nfs/dbraw/zinc/68/49/62/890684962.db2.gz IYLQLTZJEZBTFP-JTQLQIEISA-N 1 2 299.375 -1.336 20 0 CAADLO Cc1nnc(CC(=O)N[C@]2(C)CC[N@H+](CC(N)=O)C2)o1 ZINC001423560656 890685619 /nfs/dbraw/zinc/68/56/19/890685619.db2.gz HBUBQABJIXXXFP-GFCCVEGCSA-N 1 2 281.316 -1.014 20 0 CAADLO Cc1nnc(CC(=O)N[C@]2(C)CC[N@@H+](CC(N)=O)C2)o1 ZINC001423560656 890685631 /nfs/dbraw/zinc/68/56/31/890685631.db2.gz HBUBQABJIXXXFP-GFCCVEGCSA-N 1 2 281.316 -1.014 20 0 CAADLO C[C@]1(NC(=O)Cc2nnc[nH]2)CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001423582958 890686810 /nfs/dbraw/zinc/68/68/10/890686810.db2.gz IVLSABNPABOOCU-RNCFNFMXSA-N 1 2 292.343 -1.184 20 0 CAADLO C[C@]1(NC(=O)Cc2nnc[nH]2)CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001423582958 890686815 /nfs/dbraw/zinc/68/68/15/890686815.db2.gz IVLSABNPABOOCU-RNCFNFMXSA-N 1 2 292.343 -1.184 20 0 CAADLO COCC[N@H+](CCNC(=O)c1nccc(C)n1)CC(N)=O ZINC001423624487 890688433 /nfs/dbraw/zinc/68/84/33/890688433.db2.gz GMIGQTNWXYDLQX-UHFFFAOYSA-N 1 2 295.343 -1.051 20 0 CAADLO COCC[N@@H+](CCNC(=O)c1nccc(C)n1)CC(N)=O ZINC001423624487 890688442 /nfs/dbraw/zinc/68/84/42/890688442.db2.gz GMIGQTNWXYDLQX-UHFFFAOYSA-N 1 2 295.343 -1.051 20 0 CAADLO COCC[N@H+](CCNC(=O)[C@@H]1C[C@]12CCOC2)CC(N)=O ZINC001423643575 890688966 /nfs/dbraw/zinc/68/89/66/890688966.db2.gz UCEVAPJKMVQJBZ-FZMZJTMJSA-N 1 2 299.371 -1.037 20 0 CAADLO COCC[N@@H+](CCNC(=O)[C@@H]1C[C@]12CCOC2)CC(N)=O ZINC001423643575 890688972 /nfs/dbraw/zinc/68/89/72/890688972.db2.gz UCEVAPJKMVQJBZ-FZMZJTMJSA-N 1 2 299.371 -1.037 20 0 CAADLO COCC[N@H+](CCNC(=O)[C@@H]1CCO[C@@H]1C)CC(N)=O ZINC001423653507 890689213 /nfs/dbraw/zinc/68/92/13/890689213.db2.gz ZSTFBDUAKBYTSY-GHMZBOCLSA-N 1 2 287.360 -1.039 20 0 CAADLO COCC[N@@H+](CCNC(=O)[C@@H]1CCO[C@@H]1C)CC(N)=O ZINC001423653507 890689217 /nfs/dbraw/zinc/68/92/17/890689217.db2.gz ZSTFBDUAKBYTSY-GHMZBOCLSA-N 1 2 287.360 -1.039 20 0 CAADLO COCC[N@H+](CCNC(=O)C1CCOCC1)CC(N)=O ZINC001423618436 890689674 /nfs/dbraw/zinc/68/96/74/890689674.db2.gz GXTCNLYCYGHEDT-UHFFFAOYSA-N 1 2 287.360 -1.037 20 0 CAADLO COCC[N@@H+](CCNC(=O)C1CCOCC1)CC(N)=O ZINC001423618436 890689687 /nfs/dbraw/zinc/68/96/87/890689687.db2.gz GXTCNLYCYGHEDT-UHFFFAOYSA-N 1 2 287.360 -1.037 20 0 CAADLO COCC[N@H+](CCNC(=O)[C@]12C[C@H]1COC2)[C@H](C)C(N)=O ZINC001423624390 890690144 /nfs/dbraw/zinc/69/01/44/890690144.db2.gz CTLXNDCXAWLUEK-SUNKGSAMSA-N 1 2 299.371 -1.039 20 0 CAADLO COCC[N@@H+](CCNC(=O)[C@]12C[C@H]1COC2)[C@H](C)C(N)=O ZINC001423624390 890690151 /nfs/dbraw/zinc/69/01/51/890690151.db2.gz CTLXNDCXAWLUEK-SUNKGSAMSA-N 1 2 299.371 -1.039 20 0 CAADLO COCC[N@H+](CCNC(=O)[C@@H]1C[C@@]12CCOC2)CC(N)=O ZINC001423643591 890690549 /nfs/dbraw/zinc/69/05/49/890690549.db2.gz UCEVAPJKMVQJBZ-SMDDNHRTSA-N 1 2 299.371 -1.037 20 0 CAADLO COCC[N@@H+](CCNC(=O)[C@@H]1C[C@@]12CCOC2)CC(N)=O ZINC001423643591 890690557 /nfs/dbraw/zinc/69/05/57/890690557.db2.gz UCEVAPJKMVQJBZ-SMDDNHRTSA-N 1 2 299.371 -1.037 20 0 CAADLO COCC[N@H+](CCNC(=O)c1cnnn1C)[C@H](C)C(N)=O ZINC001423624424 890690574 /nfs/dbraw/zinc/69/05/74/890690574.db2.gz FGWQMTBDZZDDHR-SECBINFHSA-N 1 2 298.347 -1.633 20 0 CAADLO COCC[N@@H+](CCNC(=O)c1cnnn1C)[C@H](C)C(N)=O ZINC001423624424 890690580 /nfs/dbraw/zinc/69/05/80/890690580.db2.gz FGWQMTBDZZDDHR-SECBINFHSA-N 1 2 298.347 -1.633 20 0 CAADLO CCn1cc(C[N@@H+]2CC[C@@](O)(CNC(=O)COC)C2)nn1 ZINC001423745503 890694096 /nfs/dbraw/zinc/69/40/96/890694096.db2.gz CXQOZHZRLGZBDH-CYBMUJFWSA-N 1 2 297.359 -1.003 20 0 CAADLO CCn1cc(C[N@H+]2CC[C@@](O)(CNC(=O)COC)C2)nn1 ZINC001423745503 890694108 /nfs/dbraw/zinc/69/41/08/890694108.db2.gz CXQOZHZRLGZBDH-CYBMUJFWSA-N 1 2 297.359 -1.003 20 0 CAADLO COC[C@H](C)[NH+]1CC(O)(CNC(=O)CNC(C)=O)C1 ZINC001423799615 890697086 /nfs/dbraw/zinc/69/70/86/890697086.db2.gz WTYOPSMJUNLTNO-VIFPVBQESA-N 1 2 273.333 -1.680 20 0 CAADLO CO[C@H](C)C[NH+]1CC(O)(CNC(=O)[C@H]2CCC(=O)N2)C1 ZINC001423827864 890703053 /nfs/dbraw/zinc/70/30/53/890703053.db2.gz KTJVBDORBXMNCY-NXEZZACHSA-N 1 2 285.344 -1.537 20 0 CAADLO COC[C@H](C)[NH+]1CC(O)(CNC(=O)C2CN(C(C)=O)C2)C1 ZINC001423838334 890703313 /nfs/dbraw/zinc/70/33/13/890703313.db2.gz VHFULAOHIWVIKA-JTQLQIEISA-N 1 2 299.371 -1.338 20 0 CAADLO Cc1ncn(C)c1C(=O)NCC1(O)C[NH+](CCCO)C1 ZINC001423833638 890703708 /nfs/dbraw/zinc/70/37/08/890703708.db2.gz IFPXMRBROLMESE-UHFFFAOYSA-N 1 2 282.344 -1.113 20 0 CAADLO C[C@@H](O)C[NH+]1CC(O)(CNC(=O)Cn2ncn(C)c2=O)C1 ZINC001423837793 890704163 /nfs/dbraw/zinc/70/41/63/890704163.db2.gz BYZJJNXZAMIKKJ-SECBINFHSA-N 1 2 299.331 -2.875 20 0 CAADLO COC[C@H](O)C[NH+]1CC(O)(CNC(=O)Cc2ccon2)C1 ZINC001423832768 890704928 /nfs/dbraw/zinc/70/49/28/890704928.db2.gz YTIBAPMOJFWHDR-LLVKDONJSA-N 1 2 299.327 -1.613 20 0 CAADLO Cc1nnccc1C(=O)NCC1(O)C[NH+](CCCO)C1 ZINC001423843074 890706529 /nfs/dbraw/zinc/70/65/29/890706529.db2.gz JYLKGUZVAKVIIL-UHFFFAOYSA-N 1 2 280.328 -1.056 20 0 CAADLO CC[NH+]1CC(O)(CNC(=O)c2nc3ncccn3n2)C1 ZINC001423875158 890707057 /nfs/dbraw/zinc/70/70/57/890707057.db2.gz GEXJUAPYBXQWCN-UHFFFAOYSA-N 1 2 276.300 -1.079 20 0 CAADLO Cc1ncc(C(=O)NCC2(O)C[NH+](CCCO)C2)n1C ZINC001423870071 890707956 /nfs/dbraw/zinc/70/79/56/890707956.db2.gz MZQISZIOMBCLJJ-UHFFFAOYSA-N 1 2 282.344 -1.113 20 0 CAADLO CNC(=O)CN1CC(O)(CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001423873244 890707793 /nfs/dbraw/zinc/70/77/93/890707793.db2.gz GDSRFFLDQGCAQR-UHFFFAOYSA-N 1 2 281.316 -2.139 20 0 CAADLO COC[C@H](C)[NH+]1CC(O)(CNC(=O)c2c[nH]c(=O)n2C)C1 ZINC001423860939 890708128 /nfs/dbraw/zinc/70/81/28/890708128.db2.gz QQUYZDPVDIOSDJ-VIFPVBQESA-N 1 2 298.343 -1.063 20 0 CAADLO C[C@H](O)C[NH+]1CC(O)(CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC001423872340 890708575 /nfs/dbraw/zinc/70/85/75/890708575.db2.gz VQKLWJRAHWFNBL-FQIARQCESA-N 1 2 296.367 -1.047 20 0 CAADLO C[C@H](C(N)=O)N1CC(O)(CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001423877207 890710149 /nfs/dbraw/zinc/71/01/49/890710149.db2.gz QPQWOYLGKLUHCS-MRVPVSSYSA-N 1 2 281.316 -2.011 20 0 CAADLO C[C@@H](C(N)=O)N1CC(O)(CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001423877217 890710192 /nfs/dbraw/zinc/71/01/92/890710192.db2.gz QPQWOYLGKLUHCS-QMMMGPOBSA-N 1 2 281.316 -2.011 20 0 CAADLO C[C@H](F)CC[NH+]1CC(O)(CNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001423887564 890710926 /nfs/dbraw/zinc/71/09/26/890710926.db2.gz YECIFUSPTWEWKE-IUCAKERBSA-N 1 2 288.323 -1.421 20 0 CAADLO C[C@@H](F)CC[NH+]1CC(O)(CNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001423887560 890711133 /nfs/dbraw/zinc/71/11/33/890711133.db2.gz YECIFUSPTWEWKE-BDAKNGLRSA-N 1 2 288.323 -1.421 20 0 CAADLO CNS(=O)(=O)CC(=O)NCC1(O)C[NH+](CCCF)C1 ZINC001423904584 890711756 /nfs/dbraw/zinc/71/17/56/890711756.db2.gz GDBGATGOCQIJRZ-UHFFFAOYSA-N 1 2 297.352 -1.942 20 0 CAADLO O=C(Cc1nnc[nH]1)NCC1(O)C[NH+](C[C@H]2CCOC2)C1 ZINC001423885140 890712531 /nfs/dbraw/zinc/71/25/31/890712531.db2.gz DVFVDZTWGYNQLU-SNVBAGLBSA-N 1 2 295.343 -1.453 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@@](CO)(NC(=O)CC2(O)CCC2)C1 ZINC001424025011 890714807 /nfs/dbraw/zinc/71/48/07/890714807.db2.gz UQGLZDUZYMLTMQ-CYBMUJFWSA-N 1 2 299.371 -1.280 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@@](CO)(NC(=O)CC2(O)CCC2)C1 ZINC001424025011 890714818 /nfs/dbraw/zinc/71/48/18/890714818.db2.gz UQGLZDUZYMLTMQ-CYBMUJFWSA-N 1 2 299.371 -1.280 20 0 CAADLO CC(=O)N(C)CC(=O)NC[C@H]1COCC[N@H+]1C[C@@H](C)O ZINC001424097121 890719206 /nfs/dbraw/zinc/71/92/06/890719206.db2.gz DJMFOYMGCLCTRF-PWSUYJOCSA-N 1 2 287.360 -1.338 20 0 CAADLO CC(=O)N(C)CC(=O)NC[C@H]1COCC[N@@H+]1C[C@@H](C)O ZINC001424097121 890719213 /nfs/dbraw/zinc/71/92/13/890719213.db2.gz DJMFOYMGCLCTRF-PWSUYJOCSA-N 1 2 287.360 -1.338 20 0 CAADLO C[C@H]1CN(S(=O)(=O)N2CC[NH+](C)CC2)CC(=O)N1 ZINC001424077436 890719451 /nfs/dbraw/zinc/71/94/51/890719451.db2.gz CQAGQDVGRBMUDG-VIFPVBQESA-N 1 2 276.362 -1.701 20 0 CAADLO CNC(=O)NCC(=O)NC[C@@H]1COCC[N@@H+]1CCCO ZINC001424107032 890719502 /nfs/dbraw/zinc/71/95/02/890719502.db2.gz UFTFSKUQPLHAJU-SNVBAGLBSA-N 1 2 288.348 -1.885 20 0 CAADLO CNC(=O)NCC(=O)NC[C@@H]1COCC[N@H+]1CCCO ZINC001424107032 890719506 /nfs/dbraw/zinc/71/95/06/890719506.db2.gz UFTFSKUQPLHAJU-SNVBAGLBSA-N 1 2 288.348 -1.885 20 0 CAADLO CCC[N@@H+]1CCOC[C@H]1CNC(=O)CN1CCNC(=O)C1 ZINC001424116696 890719559 /nfs/dbraw/zinc/71/95/59/890719559.db2.gz GJQWAHLGWIAWJW-GFCCVEGCSA-N 1 2 298.387 -1.355 20 0 CAADLO CCC[N@H+]1CCOC[C@H]1CNC(=O)CN1CCNC(=O)C1 ZINC001424116696 890719568 /nfs/dbraw/zinc/71/95/68/890719568.db2.gz GJQWAHLGWIAWJW-GFCCVEGCSA-N 1 2 298.387 -1.355 20 0 CAADLO CNC(=O)NCC(=O)NC[C@H]1COCC[N@@H+]1CCCO ZINC001424107028 890719861 /nfs/dbraw/zinc/71/98/61/890719861.db2.gz UFTFSKUQPLHAJU-JTQLQIEISA-N 1 2 288.348 -1.885 20 0 CAADLO CNC(=O)NCC(=O)NC[C@H]1COCC[N@H+]1CCCO ZINC001424107028 890719874 /nfs/dbraw/zinc/71/98/74/890719874.db2.gz UFTFSKUQPLHAJU-JTQLQIEISA-N 1 2 288.348 -1.885 20 0 CAADLO CC(=O)N(C)CC(=O)NC[C@H]1COCC[N@@H+]1CCCO ZINC001424095719 890719961 /nfs/dbraw/zinc/71/99/61/890719961.db2.gz AGQRJKNODUDGFV-LBPRGKRZSA-N 1 2 287.360 -1.336 20 0 CAADLO CC(=O)N(C)CC(=O)NC[C@H]1COCC[N@H+]1CCCO ZINC001424095719 890719973 /nfs/dbraw/zinc/71/99/73/890719973.db2.gz AGQRJKNODUDGFV-LBPRGKRZSA-N 1 2 287.360 -1.336 20 0 CAADLO CC(=O)N(C)CC(=O)NC[C@@H]1COCC[N@H+]1C[C@H](C)O ZINC001424097115 890720567 /nfs/dbraw/zinc/72/05/67/890720567.db2.gz DJMFOYMGCLCTRF-CMPLNLGQSA-N 1 2 287.360 -1.338 20 0 CAADLO CC(=O)N(C)CC(=O)NC[C@@H]1COCC[N@@H+]1C[C@H](C)O ZINC001424097115 890720574 /nfs/dbraw/zinc/72/05/74/890720574.db2.gz DJMFOYMGCLCTRF-CMPLNLGQSA-N 1 2 287.360 -1.338 20 0 CAADLO C[C@H](O)C[N@@H+]1CCOC[C@@H]1CNC(=O)CCn1cnnn1 ZINC001424127715 890722218 /nfs/dbraw/zinc/72/22/18/890722218.db2.gz KQLBQFWJJHCEFX-QWRGUYRKSA-N 1 2 298.347 -1.739 20 0 CAADLO C[C@H](O)C[N@H+]1CCOC[C@@H]1CNC(=O)CCn1cnnn1 ZINC001424127715 890722231 /nfs/dbraw/zinc/72/22/31/890722231.db2.gz KQLBQFWJJHCEFX-QWRGUYRKSA-N 1 2 298.347 -1.739 20 0 CAADLO COC(=O)[C@@](C)(CO)NS(=O)(=O)N1CC[NH+](C)CC1 ZINC001424194040 890723588 /nfs/dbraw/zinc/72/35/88/890723588.db2.gz DCJHYNKTSKKBFZ-SNVBAGLBSA-N 1 2 295.361 -2.008 20 0 CAADLO C[C@@H](O)C[N@@H+]1CCOC[C@@H]1CNC(=O)CCn1cnnn1 ZINC001424127704 890723802 /nfs/dbraw/zinc/72/38/02/890723802.db2.gz KQLBQFWJJHCEFX-MNOVXSKESA-N 1 2 298.347 -1.739 20 0 CAADLO C[C@@H](O)C[N@H+]1CCOC[C@@H]1CNC(=O)CCn1cnnn1 ZINC001424127704 890723808 /nfs/dbraw/zinc/72/38/08/890723808.db2.gz KQLBQFWJJHCEFX-MNOVXSKESA-N 1 2 298.347 -1.739 20 0 CAADLO CC(=O)NCC(=O)N[C@@H]1COC2(C[NH+](CCCO)C2)C1 ZINC001424365272 890729483 /nfs/dbraw/zinc/72/94/83/890729483.db2.gz NWJAKVRUYWGDHI-NSHDSACASA-N 1 2 285.344 -1.536 20 0 CAADLO COCC(=O)N1CCC[C@](CO)([NH2+]Cc2ncnn2C)C1 ZINC001424387381 890729726 /nfs/dbraw/zinc/72/97/26/890729726.db2.gz YANXYTUDNREHLO-ZDUSSCGKSA-N 1 2 297.359 -1.095 20 0 CAADLO C[C@@H](O)C[NH+]1CC2(C1)C[C@H](NC(=O)CCCC(N)=O)CO2 ZINC001424361819 890729787 /nfs/dbraw/zinc/72/97/87/890729787.db2.gz KPMRDCWZHHYDDH-MNOVXSKESA-N 1 2 299.371 -1.018 20 0 CAADLO C[C@@H](CC(N)=O)C(=O)N[C@@H]1COC2(C[NH+](CCCO)C2)C1 ZINC001424369154 890731307 /nfs/dbraw/zinc/73/13/07/890731307.db2.gz QOEKVBNZKVLEBV-QWRGUYRKSA-N 1 2 299.371 -1.160 20 0 CAADLO CCN1CC[C@H](NS(=O)(=O)N2CC[NH+](C)CC2)C1=O ZINC001424507212 890733349 /nfs/dbraw/zinc/73/33/49/890733349.db2.gz VXQZAJHHRKCVPW-JTQLQIEISA-N 1 2 290.389 -1.311 20 0 CAADLO O=S(=O)(CCn1cc[nH+]c1)NC1CC(CO)(CO)C1 ZINC001424448837 890734890 /nfs/dbraw/zinc/73/48/90/890734890.db2.gz TWVFOPDDZZWVHR-UHFFFAOYSA-N 1 2 289.357 -1.064 20 0 CAADLO NC(=O)C[NH+]1CCC(CO)(NC(=O)Cn2cnnn2)CC1 ZINC001424634910 890737933 /nfs/dbraw/zinc/73/79/33/890737933.db2.gz BQIZYVKPLVJEMG-UHFFFAOYSA-N 1 2 297.319 -2.899 20 0 CAADLO Cn1cnc(C(=O)NC2(CO)CC[NH+](CC(N)=O)CC2)c1 ZINC001424644051 890740537 /nfs/dbraw/zinc/74/05/37/890740537.db2.gz YQBZJWKOTQKTEM-UHFFFAOYSA-N 1 2 295.343 -1.538 20 0 CAADLO COC[C@@H](C)C(=O)NC1(CO)CC[NH+](CC(N)=O)CC1 ZINC001424636486 890741365 /nfs/dbraw/zinc/74/13/65/890741365.db2.gz KAEYFDUQQZLRTD-SNVBAGLBSA-N 1 2 287.360 -1.303 20 0 CAADLO C[C@@H](NC(=O)c1cnon1)[C@H](C)[NH2+]Cc1nnn(C)n1 ZINC001424839953 890743443 /nfs/dbraw/zinc/74/34/43/890743443.db2.gz SIZULDJMRVKGJU-NKWVEPMBSA-N 1 2 280.292 -1.110 20 0 CAADLO C[C@@H](NC(=O)c1cn(C)nn1)[C@H](C)[NH2+]Cc1nnn(C)n1 ZINC001424767177 890743608 /nfs/dbraw/zinc/74/36/08/890743608.db2.gz WENLEMNYWQQYQV-JGVFFNPUSA-N 1 2 293.335 -1.365 20 0 CAADLO C[C@@H]([NH2+]Cc1nnn(C)n1)[C@H](C)NC(=O)c1cn(C)nn1 ZINC001424767186 890744363 /nfs/dbraw/zinc/74/43/63/890744363.db2.gz WENLEMNYWQQYQV-SFYZADRCSA-N 1 2 293.335 -1.365 20 0 CAADLO C[C@H](NC(=O)c1cnn[nH]1)[C@H](C)[NH2+]Cc1nnnn1C ZINC001424795307 890745614 /nfs/dbraw/zinc/74/56/14/890745614.db2.gz VHOMDKATADDBQP-BQBZGAKWSA-N 1 2 279.308 -1.375 20 0 CAADLO C[C@H](NC(=O)c1cn[nH]n1)[C@H](C)[NH2+]Cc1nnnn1C ZINC001424795307 890745603 /nfs/dbraw/zinc/74/56/03/890745603.db2.gz VHOMDKATADDBQP-BQBZGAKWSA-N 1 2 279.308 -1.375 20 0 CAADLO C[C@H](CNC(=O)CCNC(N)=O)[N@H+](C)Cc1cnnn1C ZINC001425055112 890751547 /nfs/dbraw/zinc/75/15/47/890751547.db2.gz DDNZOQGBRRPCJZ-SECBINFHSA-N 1 2 297.363 -1.190 20 0 CAADLO C[C@H](CNC(=O)CCNC(N)=O)[N@@H+](C)Cc1cnnn1C ZINC001425055112 890751558 /nfs/dbraw/zinc/75/15/58/890751558.db2.gz DDNZOQGBRRPCJZ-SECBINFHSA-N 1 2 297.363 -1.190 20 0 CAADLO COCC[NH+]1CC(CCO)(NC(=O)[C@H](C)NC(C)=O)C1 ZINC001425080177 890751775 /nfs/dbraw/zinc/75/17/75/890751775.db2.gz PLGFVAOXHGBGSF-JTQLQIEISA-N 1 2 287.360 -1.290 20 0 CAADLO COCC(=O)NC1(CCO)C[NH+](C[C@@H](O)COC)C1 ZINC001425067755 890751921 /nfs/dbraw/zinc/75/19/21/890751921.db2.gz GLZGUGOSYOHZIS-SNVBAGLBSA-N 1 2 276.333 -1.807 20 0 CAADLO C[C@@H](CNC(=O)CCNC(N)=O)[N@H+](C)Cc1cnnn1C ZINC001425055116 890752996 /nfs/dbraw/zinc/75/29/96/890752996.db2.gz DDNZOQGBRRPCJZ-VIFPVBQESA-N 1 2 297.363 -1.190 20 0 CAADLO C[C@@H](CNC(=O)CCNC(N)=O)[N@@H+](C)Cc1cnnn1C ZINC001425055116 890753010 /nfs/dbraw/zinc/75/30/10/890753010.db2.gz DDNZOQGBRRPCJZ-VIFPVBQESA-N 1 2 297.363 -1.190 20 0 CAADLO C[C@H](O)C[NH+]1CC(CCO)(NC(=O)[C@@H]2CCOC2)C1 ZINC001425092827 890754374 /nfs/dbraw/zinc/75/43/74/890754374.db2.gz OCWUZMCUTSSXTI-WDEREUQCSA-N 1 2 272.345 -1.043 20 0 CAADLO C[C@H](O)C[NH+]1CC(CCO)(NC(=O)C[C@@H]2CCC(=O)N2)C1 ZINC001425125288 890754489 /nfs/dbraw/zinc/75/44/89/890754489.db2.gz GBJXTQVLYPUKBL-QWRGUYRKSA-N 1 2 299.371 -1.411 20 0 CAADLO COC[C@H](C)[NH+]1CC(CCO)(NC(=O)Cn2ncnn2)C1 ZINC001425096717 890754645 /nfs/dbraw/zinc/75/46/45/890754645.db2.gz NZQDGCNIYRKIHQ-JTQLQIEISA-N 1 2 298.347 -1.739 20 0 CAADLO O=C(CCn1ccnn1)NC1(CCO)C[NH+](CCO)C1 ZINC001425113978 890754659 /nfs/dbraw/zinc/75/46/59/890754659.db2.gz XTQQTNUBVWJQAL-UHFFFAOYSA-N 1 2 283.332 -1.787 20 0 CAADLO C[C@H](O)C[NH+]1CC(CCO)(NC(=O)Cn2ncnn2)C1 ZINC001425097652 890755147 /nfs/dbraw/zinc/75/51/47/890755147.db2.gz XRCRDZHLNMSZQJ-VIFPVBQESA-N 1 2 284.320 -2.393 20 0 CAADLO C[C@@H](O)C[NH+]1CC(CCO)(NC(=O)c2ccnn2C)C1 ZINC001425093972 890756228 /nfs/dbraw/zinc/75/62/28/890756228.db2.gz SCJNGATWXVHZCG-SNVBAGLBSA-N 1 2 282.344 -1.033 20 0 CAADLO O=C(NC1(CCO)C[NH+](CCO)C1)[C@@H]1CCC(=O)N1 ZINC001425133050 890756274 /nfs/dbraw/zinc/75/62/74/890756274.db2.gz MFXPKZPNQVVTTL-VIFPVBQESA-N 1 2 271.317 -2.190 20 0 CAADLO C[C@H](O)C[NH+]1CC(CCO)(NC(=O)[C@@H]2CCNC(=O)C2)C1 ZINC001425098967 890756881 /nfs/dbraw/zinc/75/68/81/890756881.db2.gz LZSNPQNMENNIDN-WDEREUQCSA-N 1 2 299.371 -1.554 20 0 CAADLO CNC(=O)C[NH+]1CC([C@H](C)NC(=O)[C@]2(C)CCC(=O)N2)C1 ZINC001425254336 890759075 /nfs/dbraw/zinc/75/90/75/890759075.db2.gz LSAWUYHHKRSWJL-XPTSAGLGSA-N 1 2 296.371 -1.162 20 0 CAADLO COCC(=O)NC[C@H](CO)NC(=O)CCc1c[nH]c[nH+]1 ZINC001425271761 890761475 /nfs/dbraw/zinc/76/14/75/890761475.db2.gz AHJTWPJOQOINEQ-SNVBAGLBSA-N 1 2 284.316 -1.418 20 0 CAADLO COCC(=O)NC[C@H](CO)NC(=O)CCc1c[nH+]c[nH]1 ZINC001425271761 890761490 /nfs/dbraw/zinc/76/14/90/890761490.db2.gz AHJTWPJOQOINEQ-SNVBAGLBSA-N 1 2 284.316 -1.418 20 0 CAADLO C[C@H](NC(=O)CCCC(N)=O)C1C[NH+](CC(N)=O)C1 ZINC001425267305 890761622 /nfs/dbraw/zinc/76/16/22/890761622.db2.gz YPKNTGJPLIUSPS-QMMMGPOBSA-N 1 2 270.333 -1.436 20 0 CAADLO COCC(=O)NC[C@@H](CO)NC(=O)Cc1[nH]c[nH+]c1C ZINC001425280132 890762379 /nfs/dbraw/zinc/76/23/79/890762379.db2.gz SJQIKUABNKHWSX-VIFPVBQESA-N 1 2 284.316 -1.500 20 0 CAADLO COCC(=O)NC[C@H](CO)NC(=O)CCc1c[nH+]cn1C ZINC001425278853 890762774 /nfs/dbraw/zinc/76/27/74/890762774.db2.gz QFKNSVDGOGHJQE-SNVBAGLBSA-N 1 2 298.343 -1.408 20 0 CAADLO COCC(=O)NC[C@H](CO)NC(=O)Cc1c[nH]c[nH+]1 ZINC001425273925 890763155 /nfs/dbraw/zinc/76/31/55/890763155.db2.gz GOPJQFAXKKHIFJ-SECBINFHSA-N 1 2 270.289 -1.808 20 0 CAADLO CCO[C@H](C)C(=O)NC[C@@H](CO)NC(=O)Cc1[nH]cc[nH+]1 ZINC001425293456 890764235 /nfs/dbraw/zinc/76/42/35/890764235.db2.gz XASPCKOROWWQQF-ZJUUUORDSA-N 1 2 298.343 -1.030 20 0 CAADLO CO[C@H](C)C(=O)NC[C@@H](CO)NC(=O)Cc1[nH]c[nH+]c1C ZINC001425312516 890769197 /nfs/dbraw/zinc/76/91/97/890769197.db2.gz IRLWLDFDLNXNTM-ZJUUUORDSA-N 1 2 298.343 -1.111 20 0 CAADLO COC[C@@H](C)C(=O)N[C@H](CO)CNC(=O)Cn1cc[nH+]c1 ZINC001425426929 890775968 /nfs/dbraw/zinc/77/59/68/890775968.db2.gz MJUFJQHLSBWXTK-MNOVXSKESA-N 1 2 298.343 -1.241 20 0 CAADLO O=C(Cn1cc[nH+]c1)NC[C@H](CO)NC(=O)c1cn[nH]n1 ZINC001425430636 890776969 /nfs/dbraw/zinc/77/69/69/890776969.db2.gz VRHLBNNLUIKVQU-MRVPVSSYSA-N 1 2 293.287 -2.092 20 0 CAADLO O=C(Cn1cc[nH+]c1)NC[C@H](CO)NC(=O)c1ncc[nH]1 ZINC001425427218 890777332 /nfs/dbraw/zinc/77/73/32/890777332.db2.gz NJOGRNRQVLTVGK-SECBINFHSA-N 1 2 292.299 -1.487 20 0 CAADLO C[C@H](CNC(=O)N=c1nc[nH]n1C)[NH+]1CCN(C)CC1 ZINC001425448571 890778891 /nfs/dbraw/zinc/77/88/91/890778891.db2.gz BHDSXYBOOSVLGQ-SNVBAGLBSA-N 1 2 281.364 -1.006 20 0 CAADLO O=C(Cn1cc[nH+]c1)N[C@@H](CO)CNC(=O)c1cnon1 ZINC001425482887 890782054 /nfs/dbraw/zinc/78/20/54/890782054.db2.gz GSEYJJUAVXIVNF-MRVPVSSYSA-N 1 2 294.271 -1.827 20 0 CAADLO O=C(Cc1[nH]cc[nH+]1)NC[C@@H](CO)NC(=O)c1cnco1 ZINC001425483027 890784324 /nfs/dbraw/zinc/78/43/24/890784324.db2.gz FCGVDFHMWKVLCJ-QMMMGPOBSA-N 1 2 293.283 -1.153 20 0 CAADLO Cn1ncnc1C[NH2+][C@@H](CO)CNC(=O)Cn1cccn1 ZINC001425709200 890794679 /nfs/dbraw/zinc/79/46/79/890794679.db2.gz SYKOHWHBIYDCNT-SNVBAGLBSA-N 1 2 293.331 -1.722 20 0 CAADLO Cc1nc(C[NH2+][C@H](CO)CNC(=O)Cn2cnnn2)co1 ZINC001425704307 890794762 /nfs/dbraw/zinc/79/47/62/890794762.db2.gz FADZXESGLMLXHW-VIFPVBQESA-N 1 2 295.303 -1.764 20 0 CAADLO Cc1nc(C[NH2+][C@@H](CO)CNC(=O)Cn2cnnn2)co1 ZINC001425704305 890795262 /nfs/dbraw/zinc/79/52/62/890795262.db2.gz FADZXESGLMLXHW-SECBINFHSA-N 1 2 295.303 -1.764 20 0 CAADLO Cn1ncnc1C[NH2+][C@H](CO)CNC(=O)Cn1cccn1 ZINC001425709197 890796354 /nfs/dbraw/zinc/79/63/54/890796354.db2.gz SYKOHWHBIYDCNT-JTQLQIEISA-N 1 2 293.331 -1.722 20 0 CAADLO Cc1nonc1C[NH2+][C@@H](CO)CNC(=O)[C@H]1CCC(=O)N1 ZINC001425712599 890796659 /nfs/dbraw/zinc/79/66/59/890796659.db2.gz LSNYDKLFOKKYKR-RKDXNWHRSA-N 1 2 297.315 -1.777 20 0 CAADLO Cc1nonc1C[NH2+][C@H](CO)CNC(=O)[C@H]1CCC(=O)N1 ZINC001425712595 890796683 /nfs/dbraw/zinc/79/66/83/890796683.db2.gz LSNYDKLFOKKYKR-DTWKUNHWSA-N 1 2 297.315 -1.777 20 0 CAADLO Cn1nnnc1C[NH2+][C@@H](CO)CNC(=O)C1=COCCO1 ZINC001425710242 890796895 /nfs/dbraw/zinc/79/68/95/890796895.db2.gz JRIFBEHTIRRJJY-MRVPVSSYSA-N 1 2 298.303 -2.335 20 0 CAADLO CCn1ncc(C[NH2+][C@H](CO)CNC(=O)c2cn[nH]c2)n1 ZINC001425702629 890797158 /nfs/dbraw/zinc/79/71/58/890797158.db2.gz CTOCUAXSEHQTQW-NSHDSACASA-N 1 2 293.331 -1.098 20 0 CAADLO Cn1cc(C[NH2+][C@@H](CO)CNC(=O)c2ccon2)nn1 ZINC001425709781 890797201 /nfs/dbraw/zinc/79/72/01/890797201.db2.gz IVKQMJPAOBIKOZ-SECBINFHSA-N 1 2 280.288 -1.316 20 0 CAADLO CCC(=O)NCC(=O)NC[C@H](CO)[NH2+]Cc1cnn(C)n1 ZINC001425715139 890798346 /nfs/dbraw/zinc/79/83/46/890798346.db2.gz SENDSXOOLXUIMI-SNVBAGLBSA-N 1 2 298.347 -2.092 20 0 CAADLO CCn1cc(C[NH2+][C@H](CO)CNC(=O)c2cn[nH]c2)nn1 ZINC001425719591 890798401 /nfs/dbraw/zinc/79/84/01/890798401.db2.gz VVNJRUYCYWRUDG-NSHDSACASA-N 1 2 293.331 -1.098 20 0 CAADLO Cn1ncc(C[NH2+][C@@H](CO)CNC(=O)c2cnsn2)n1 ZINC001425715683 890799251 /nfs/dbraw/zinc/79/92/51/890799251.db2.gz QYTMULNMNFFQTR-MRVPVSSYSA-N 1 2 297.344 -1.453 20 0 CAADLO Cc1nnc(C[NH2+][C@@H](CO)CNC(=O)[C@H]2CCC(=O)N2)[nH]1 ZINC001425714338 890799563 /nfs/dbraw/zinc/79/95/63/890799563.db2.gz QNTYRQCWGKJZBU-RKDXNWHRSA-N 1 2 296.331 -2.042 20 0 CAADLO Cn1ncnc1C[NH2+][C@@H](CO)CNC(=O)c1cocn1 ZINC001425714384 890800459 /nfs/dbraw/zinc/80/04/59/890800459.db2.gz QVNAXADVZBIWCN-MRVPVSSYSA-N 1 2 280.288 -1.316 20 0 CAADLO COC[C@@H](C)C(=O)NC[C@H](CO)[NH2+]Cc1nnc(C)[nH]1 ZINC001425716348 890800561 /nfs/dbraw/zinc/80/05/61/890800561.db2.gz WMKQIKBMRBAZOH-PSASIEDQSA-N 1 2 285.348 -1.038 20 0 CAADLO CC(=O)N[C@H](C)C(=O)NC[C@H](CO)[NH2+]Cc1cn(C)nn1 ZINC001425716584 890801036 /nfs/dbraw/zinc/80/10/36/890801036.db2.gz UMNCTHMJMVACHQ-LDYMZIIASA-N 1 2 298.347 -2.094 20 0 CAADLO Cn1ncnc1C[NH2+][C@H](CO)CNC(=O)c1cocn1 ZINC001425714411 890801185 /nfs/dbraw/zinc/80/11/85/890801185.db2.gz QVNAXADVZBIWCN-QMMMGPOBSA-N 1 2 280.288 -1.316 20 0 CAADLO CO[C@H](C)CC(=O)NC[C@@H](CO)[NH2+]Cc1nncn1C ZINC001425722867 890804210 /nfs/dbraw/zinc/80/42/10/890804210.db2.gz MRUQBUJANIBVPM-ZJUUUORDSA-N 1 2 285.348 -1.193 20 0 CAADLO Cn1cnc(C(=O)NC[C@@H](CO)[NH2+]Cc2nncn2C)c1 ZINC001425738816 890805532 /nfs/dbraw/zinc/80/55/32/890805532.db2.gz JITWWVRFVPGZRQ-VIFPVBQESA-N 1 2 293.331 -1.571 20 0 CAADLO Cn1nnnc1C[NH2+][C@H](CO)CNC(=O)C1=CCOCC1 ZINC001425740555 890807204 /nfs/dbraw/zinc/80/72/04/890807204.db2.gz ULKSIWSNANDSCT-JTQLQIEISA-N 1 2 296.331 -1.877 20 0 CAADLO Cn1cc(C[NH2+][C@@H](CO)CNC(=O)Cc2cc[nH]n2)nn1 ZINC001425739636 890807637 /nfs/dbraw/zinc/80/76/37/890807637.db2.gz TVUKMTSMLVCUAK-LLVKDONJSA-N 1 2 293.331 -1.652 20 0 CAADLO CO[C@@H](C(=O)NC[C@H](CO)[NH2+]Cc1ncnn1C)C1CC1 ZINC001425738204 890807940 /nfs/dbraw/zinc/80/79/40/890807940.db2.gz DFCFOECOEKTAQC-ZYHUDNBSSA-N 1 2 297.359 -1.193 20 0 CAADLO CCn1cc(C[NH2+][C@H](CO)CNC(=O)[C@H](O)C(C)C)nn1 ZINC001425736075 890808036 /nfs/dbraw/zinc/80/80/36/890808036.db2.gz BAQXORDVHYHIBG-NWDGAFQWSA-N 1 2 299.375 -1.118 20 0 CAADLO Cc1nonc1C[NH2+][C@@H](CO)CNC(=O)[C@H]1COC(=O)N1 ZINC001425736776 890808050 /nfs/dbraw/zinc/80/80/50/890808050.db2.gz BOKYOCNGGKEKNJ-VXNVDRBHSA-N 1 2 299.287 -1.947 20 0 CAADLO COCC(=O)N(C)C[C@@H](O)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001425731556 890808098 /nfs/dbraw/zinc/80/80/98/890808098.db2.gz VIOSDRIZFVKDCS-JTQLQIEISA-N 1 2 284.316 -1.466 20 0 CAADLO CCn1cc(C[NH2+][C@@H](CO)CNC(=O)[C@H](O)C(C)C)nn1 ZINC001425736586 890808342 /nfs/dbraw/zinc/80/83/42/890808342.db2.gz BAQXORDVHYHIBG-VXGBXAGGSA-N 1 2 299.375 -1.118 20 0 CAADLO CCn1ncc(C[NH2+][C@@H](CO)CNC(=O)[C@H](O)C(C)C)n1 ZINC001425740928 890809592 /nfs/dbraw/zinc/80/95/92/890809592.db2.gz IECNNVTZQGZRQW-VXGBXAGGSA-N 1 2 299.375 -1.118 20 0 CAADLO Cc1nnc(C[NH2+][C@H](CO)CNC(=O)[C@H]2COCCO2)[nH]1 ZINC001425745834 890810854 /nfs/dbraw/zinc/81/08/54/890810854.db2.gz XLBZYIGCTRNKON-VHSXEESVSA-N 1 2 299.331 -1.905 20 0 CAADLO Cn1nnnc1C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CC1(F)F ZINC001425749066 890811163 /nfs/dbraw/zinc/81/11/63/890811163.db2.gz VMDCBLPCRJQELR-RQJHMYQMSA-N 1 2 290.274 -1.568 20 0 CAADLO Cc1nc(C(=O)NC[C@H](CO)[NH2+]Cc2cnn(C)n2)co1 ZINC001425742919 890811953 /nfs/dbraw/zinc/81/19/53/890811953.db2.gz XZUWDTLVCICSDQ-SNVBAGLBSA-N 1 2 294.315 -1.008 20 0 CAADLO Cc1nnc(C[NH2+][C@H](CO)CNC(=O)[C@@H]2COCCO2)[nH]1 ZINC001425745830 890812245 /nfs/dbraw/zinc/81/22/45/890812245.db2.gz XLBZYIGCTRNKON-UWVGGRQHSA-N 1 2 299.331 -1.905 20 0 CAADLO Cn1ncnc1C[NH2+][C@H](CO)CNC(=O)Cc1cc[nH]n1 ZINC001425741397 890812264 /nfs/dbraw/zinc/81/22/64/890812264.db2.gz WNRZBPQOLKRGJD-JTQLQIEISA-N 1 2 293.331 -1.652 20 0 CAADLO Cc1nc(C(=O)NC[C@@H](CO)[NH2+]Cc2cnn(C)n2)co1 ZINC001425742915 890812287 /nfs/dbraw/zinc/81/22/87/890812287.db2.gz XZUWDTLVCICSDQ-JTQLQIEISA-N 1 2 294.315 -1.008 20 0 CAADLO Cn1nnnc1C[NH2+][C@@H](CO)CNC(=O)c1ccsn1 ZINC001425765983 890813192 /nfs/dbraw/zinc/81/31/92/890813192.db2.gz DNZFTEAFELJABZ-SSDOTTSWSA-N 1 2 297.344 -1.453 20 0 CAADLO Cc1nnc(C[NH2+][C@H](CO)CNC(=O)c2cncn2C)[nH]1 ZINC001425764280 890813743 /nfs/dbraw/zinc/81/37/43/890813743.db2.gz CNZCELHZPQAZFH-VIFPVBQESA-N 1 2 293.331 -1.273 20 0 CAADLO O=C(Cn1ncnn1)NC[C@H](CO)[NH2+]Cc1nccs1 ZINC001425765160 890814737 /nfs/dbraw/zinc/81/47/37/890814737.db2.gz ZTCSLSOOYSRWPQ-MRVPVSSYSA-N 1 2 297.344 -1.604 20 0 CAADLO O=C(NC[C@H](CO)[NH2+]Cc1ccon1)[C@H]1CCCC(=O)N1 ZINC001425764257 890814610 /nfs/dbraw/zinc/81/46/10/890814610.db2.gz BRTMONVFIWYLEE-GHMZBOCLSA-N 1 2 296.327 -1.090 20 0 CAADLO Cn1nnnc1C[NH2+][C@H](CO)CNC(=O)c1ccsn1 ZINC001425765986 890814647 /nfs/dbraw/zinc/81/46/47/890814647.db2.gz DNZFTEAFELJABZ-ZETCQYMHSA-N 1 2 297.344 -1.453 20 0 CAADLO O=C(NC[C@@H](CO)[NH2+]Cc1ccon1)[C@H]1CCCC(=O)N1 ZINC001425764262 890815617 /nfs/dbraw/zinc/81/56/17/890815617.db2.gz BRTMONVFIWYLEE-WDEREUQCSA-N 1 2 296.327 -1.090 20 0 CAADLO Cc1nn[nH]c1C(=O)NC[C@H](CO)[NH2+]Cc1ncnn1C ZINC001425785927 890816303 /nfs/dbraw/zinc/81/63/03/890816303.db2.gz AICJBDKHBMYZJA-MRVPVSSYSA-N 1 2 294.319 -1.878 20 0 CAADLO Cn1cnnc1C[NH2+][C@@H](CO)CNC(=O)c1cnco1 ZINC001425775983 890816469 /nfs/dbraw/zinc/81/64/69/890816469.db2.gz OARGAIDYLIIATO-MRVPVSSYSA-N 1 2 280.288 -1.316 20 0 CAADLO Cn1nnnc1C[NH2+][C@H](CO)CNC(=O)CC1(C)CC1 ZINC001425789527 890817277 /nfs/dbraw/zinc/81/72/77/890817277.db2.gz WVGJILZHWDQVJN-VIFPVBQESA-N 1 2 282.348 -1.033 20 0 CAADLO Cn1nccc1C[NH2+][C@@H](CO)CNC(=O)c1cnn[nH]1 ZINC001425773628 890817727 /nfs/dbraw/zinc/81/77/27/890817727.db2.gz VRVIKLQDUWPDFB-MRVPVSSYSA-N 1 2 279.304 -1.581 20 0 CAADLO COC1CC(C(=O)NC[C@@H](CO)[NH2+]Cc2ncnn2C)C1 ZINC001425770942 890819131 /nfs/dbraw/zinc/81/91/31/890819131.db2.gz YXWLFZUXSHTDBT-YVNMAJEFSA-N 1 2 297.359 -1.193 20 0 CAADLO Cn1ncc(C[NH2+][C@@H](CO)CNC(=O)[C@@H]2CNC(=O)N2)n1 ZINC001425799375 890822763 /nfs/dbraw/zinc/82/27/63/890822763.db2.gz PXVPAZJHSHCARC-BDAKNGLRSA-N 1 2 297.319 -2.937 20 0 CAADLO Cc1cc(C[NH2+][C@H](CO)CNC(=O)c2nnn(C)n2)no1 ZINC001425800790 890822960 /nfs/dbraw/zinc/82/29/60/890822960.db2.gz YPSOBPCYRXFLGY-VIFPVBQESA-N 1 2 295.303 -1.613 20 0 CAADLO Cn1ncc(C[NH2+][C@H](CO)CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)n1 ZINC001425801300 890823033 /nfs/dbraw/zinc/82/30/33/890823033.db2.gz ZIZNQPMSLYGVJI-NNYUYHANSA-N 1 2 295.343 -1.726 20 0 CAADLO Cn1cnnc1C[NH2+][C@@H](CO)CNC(=O)Cc1ncc[nH]1 ZINC001425820088 890823680 /nfs/dbraw/zinc/82/36/80/890823680.db2.gz JIKMFVOMRDPEBF-SECBINFHSA-N 1 2 293.331 -1.652 20 0 CAADLO Cn1cc(C[NH2+][C@H](CO)CNC(=O)c2cnn(C)n2)nn1 ZINC001425817727 890825044 /nfs/dbraw/zinc/82/50/44/890825044.db2.gz QVHAZXWXBYJCOG-VIFPVBQESA-N 1 2 294.319 -2.176 20 0 CAADLO Cn1cc(C[NH2+][C@@H](CO)CNC(=O)c2cnn(C)n2)nn1 ZINC001425817724 890825387 /nfs/dbraw/zinc/82/53/87/890825387.db2.gz QVHAZXWXBYJCOG-SECBINFHSA-N 1 2 294.319 -2.176 20 0 CAADLO Cn1nnnc1C[NH2+][C@@H](CO)CNC(=O)[C@H]1CC12CC2 ZINC001425820216 890826348 /nfs/dbraw/zinc/82/63/48/890826348.db2.gz IHNAEVGWWYIHGO-RKDXNWHRSA-N 1 2 280.332 -1.423 20 0 CAADLO Cn1nnnc1C[NH2+][C@H](CO)CNC(=O)[C@@H]1CC12CCC2 ZINC001425829604 890827440 /nfs/dbraw/zinc/82/74/40/890827440.db2.gz UGDGSHURPBGIKQ-UWVGGRQHSA-N 1 2 294.359 -1.033 20 0 CAADLO Cn1nnnc1C[NH2+][C@@H](CO)CNC(=O)[C@H]1CC12CCC2 ZINC001425829597 890829011 /nfs/dbraw/zinc/82/90/11/890829011.db2.gz UGDGSHURPBGIKQ-NXEZZACHSA-N 1 2 294.359 -1.033 20 0 CAADLO O=C(C[NH2+][C@H](CO)CNC(=O)Cc1nnc[nH]1)NC1CC1 ZINC001425835837 890829289 /nfs/dbraw/zinc/82/92/89/890829289.db2.gz SUNNZUDXBKMIAD-VIFPVBQESA-N 1 2 296.331 -2.308 20 0 CAADLO Cn1cnnc1C[NH2+][C@H](CO)CNC(=O)[C@@]1(C)CCOC1 ZINC001425829800 890830006 /nfs/dbraw/zinc/83/00/06/890830006.db2.gz YMMRCOXTFKOSDU-GWCFXTLKSA-N 1 2 297.359 -1.192 20 0 CAADLO O=C(NC[C@H](CO)[NH2+]Cc1nccs1)[C@@H]1CCC(=O)N1 ZINC001425838871 890830746 /nfs/dbraw/zinc/83/07/46/890830746.db2.gz KVEKAJJGPCPDTC-BDAKNGLRSA-N 1 2 298.368 -1.012 20 0 CAADLO COCC(=O)N(C)C[C@@H](O)C[NH2+]Cc1nc(C)no1 ZINC001425968364 890835613 /nfs/dbraw/zinc/83/56/13/890835613.db2.gz FKQXXFKYQYZESA-VIFPVBQESA-N 1 2 272.305 -1.067 20 0 CAADLO CO[C@@H](C)C(=O)NC[C@@H](O)CN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001425883107 890837381 /nfs/dbraw/zinc/83/73/81/890837381.db2.gz PUWMSOHUBZRWSN-GXSJLCMTSA-N 1 2 298.343 -1.077 20 0 CAADLO CO[C@@H](C)C(=O)NC[C@H](O)CN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001425883126 890837538 /nfs/dbraw/zinc/83/75/38/890837538.db2.gz PUWMSOHUBZRWSN-ONGXEEELSA-N 1 2 298.343 -1.077 20 0 CAADLO CNC(=O)C[NH2+][C@@H]1CN(C(=O)Cc2ncn[nH]2)CC1(C)C ZINC001425975722 890840173 /nfs/dbraw/zinc/84/01/73/890840173.db2.gz RIYFEFQMTCPIJG-SECBINFHSA-N 1 2 294.359 -1.080 20 0 CAADLO CN(C[C@@H](O)C[NH2+]Cc1cnsn1)C(=O)c1nc[nH]n1 ZINC001426023577 890843948 /nfs/dbraw/zinc/84/39/48/890843948.db2.gz IZRXZCZNAUYOEG-QMMMGPOBSA-N 1 2 297.344 -1.121 20 0 CAADLO CCNC(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)c1ccn[nH]1 ZINC001426059485 890848922 /nfs/dbraw/zinc/84/89/22/890848922.db2.gz KIQHPGFMKSZJMF-JTQLQIEISA-N 1 2 297.359 -1.090 20 0 CAADLO CCNC(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)c1ccn[nH]1 ZINC001426059485 890848936 /nfs/dbraw/zinc/84/89/36/890848936.db2.gz KIQHPGFMKSZJMF-JTQLQIEISA-N 1 2 297.359 -1.090 20 0 CAADLO COCC[N@H+](CCNC(=O)[C@H]1CNC(=O)N1)CC(N)=O ZINC001426170361 890853052 /nfs/dbraw/zinc/85/30/52/890853052.db2.gz PMWQYGKWVGOTDJ-MRVPVSSYSA-N 1 2 287.320 -2.782 20 0 CAADLO COCC[N@@H+](CCNC(=O)[C@H]1CNC(=O)N1)CC(N)=O ZINC001426170361 890853062 /nfs/dbraw/zinc/85/30/62/890853062.db2.gz PMWQYGKWVGOTDJ-MRVPVSSYSA-N 1 2 287.320 -2.782 20 0 CAADLO COCC[N@H+](CCNC(=O)c1ccnn1C)[C@H](C)C(N)=O ZINC001426152533 890853351 /nfs/dbraw/zinc/85/33/51/890853351.db2.gz AXDUXSNYKGPVPZ-SNVBAGLBSA-N 1 2 297.359 -1.028 20 0 CAADLO COCC[N@@H+](CCNC(=O)c1ccnn1C)[C@H](C)C(N)=O ZINC001426152533 890853357 /nfs/dbraw/zinc/85/33/57/890853357.db2.gz AXDUXSNYKGPVPZ-SNVBAGLBSA-N 1 2 297.359 -1.028 20 0 CAADLO COCC[N@H+](CCNC(=O)c1ccon1)CC(N)=O ZINC001426154384 890855643 /nfs/dbraw/zinc/85/56/43/890855643.db2.gz OCQPNXAMKCMGMB-UHFFFAOYSA-N 1 2 270.289 -1.162 20 0 CAADLO COCC[N@@H+](CCNC(=O)c1ccon1)CC(N)=O ZINC001426154384 890855649 /nfs/dbraw/zinc/85/56/49/890855649.db2.gz OCQPNXAMKCMGMB-UHFFFAOYSA-N 1 2 270.289 -1.162 20 0 CAADLO COCC(=O)N[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1OC ZINC001426620351 890860029 /nfs/dbraw/zinc/86/00/29/890860029.db2.gz OPUVALLSFDOTLI-GHMZBOCLSA-N 1 2 296.327 -1.059 20 0 CAADLO COCC(=O)N[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C[C@@H]1O ZINC001427078828 890869859 /nfs/dbraw/zinc/86/98/59/890869859.db2.gz AIAIVQVJYRLJGD-QWRGUYRKSA-N 1 2 296.327 -1.393 20 0 CAADLO COCC(=O)N[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C[C@H]1O ZINC001427078839 890869968 /nfs/dbraw/zinc/86/99/68/890869968.db2.gz AIAIVQVJYRLJGD-WDEREUQCSA-N 1 2 296.327 -1.393 20 0 CAADLO CC(=O)NCC(=O)N[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001427406947 890874441 /nfs/dbraw/zinc/87/44/41/890874441.db2.gz PODXXNFOFNULMV-SNVBAGLBSA-N 1 2 293.327 -1.195 20 0 CAADLO COCCC(=O)NC[C@@H](CO)NC(=O)Cc1c[nH+]cn1C ZINC001427731823 890879580 /nfs/dbraw/zinc/87/95/80/890879580.db2.gz JSKRZZNZXGLIKP-JTQLQIEISA-N 1 2 298.343 -1.408 20 0 CAADLO O=C(Cc1[nH]cc[nH+]1)N[C@H](CO)CNC(=O)C(F)F ZINC001427741345 890883309 /nfs/dbraw/zinc/88/33/09/890883309.db2.gz ZRCWVHGTPUMOJM-LURJTMIESA-N 1 2 276.243 -1.189 20 0 CAADLO O=C(Cc1c[nH]c[nH+]1)N[C@H](CO)CNC(=O)c1ccon1 ZINC001427756954 890884730 /nfs/dbraw/zinc/88/47/30/890884730.db2.gz PTFWXXLNBZEZLD-VIFPVBQESA-N 1 2 293.283 -1.153 20 0 CAADLO O=C(Cc1c[nH]c[nH+]1)N[C@@H](CO)CNC(=O)c1ccon1 ZINC001427756951 890884921 /nfs/dbraw/zinc/88/49/21/890884921.db2.gz PTFWXXLNBZEZLD-SECBINFHSA-N 1 2 293.283 -1.153 20 0 CAADLO O=C(Cc1c[nH]c[nH+]1)N[C@H](CO)CNC(=O)[C@@H]1CCOC1 ZINC001427762623 890886116 /nfs/dbraw/zinc/88/61/16/890886116.db2.gz HAFDGKVNZGQYJD-KOLCDFICSA-N 1 2 296.327 -1.418 20 0 CAADLO COC[C@@H](C)C(=O)NC[C@@H](CO)NC(=O)Cc1[nH]cc[nH+]1 ZINC001427769059 890888914 /nfs/dbraw/zinc/88/89/14/890888914.db2.gz IBOMLJZEHFZLMF-ZJUUUORDSA-N 1 2 298.343 -1.172 20 0 CAADLO COC[C@H](C)C(=O)NC[C@H](CO)NC(=O)Cc1[nH]cc[nH+]1 ZINC001427769057 890889804 /nfs/dbraw/zinc/88/98/04/890889804.db2.gz IBOMLJZEHFZLMF-VHSXEESVSA-N 1 2 298.343 -1.172 20 0 CAADLO CC(C)[C@@H](O)C(=O)NC[C@@H](CO)NC(=O)Cc1c[nH]c[nH+]1 ZINC001427800759 890890644 /nfs/dbraw/zinc/89/06/44/890890644.db2.gz XSJALZUTDDMGRK-CMPLNLGQSA-N 1 2 298.343 -1.438 20 0 CAADLO CO[C@@H](C)C(=O)N[C@H](CO)CNC(=O)Cc1c[nH+]cn1C ZINC001427904778 890896817 /nfs/dbraw/zinc/89/68/17/890896817.db2.gz ZVKIEAGMCRBHCP-UWVGGRQHSA-N 1 2 298.343 -1.409 20 0 CAADLO COCC(=O)N[C@H](CO)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001427971397 890902113 /nfs/dbraw/zinc/90/21/13/890902113.db2.gz KJTGJQDFASPJSZ-VIFPVBQESA-N 1 2 270.289 -1.808 20 0 CAADLO CCOCC(=O)N(C)C[C@H](O)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001428160317 890906015 /nfs/dbraw/zinc/90/60/15/890906015.db2.gz RWVRLBUXECCMDA-LLVKDONJSA-N 1 2 298.343 -1.076 20 0 CAADLO CCOCC(=O)N(C)C[C@H](O)CNC(=O)Cn1cc[nH+]c1 ZINC001428153798 890907956 /nfs/dbraw/zinc/90/79/56/890907956.db2.gz FUIDMRGMGUZYER-LLVKDONJSA-N 1 2 298.343 -1.145 20 0 CAADLO CO[C@@H](C)C(=O)N(C)C[C@H](O)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001428178435 890909326 /nfs/dbraw/zinc/90/93/26/890909326.db2.gz RHJHJVXXXYAJOB-GXSJLCMTSA-N 1 2 298.343 -1.077 20 0 CAADLO C[C@@H](CNC(=O)Cc1c[nH+]cn1C)NC(=O)CNC(N)=O ZINC001428721621 890921114 /nfs/dbraw/zinc/92/11/14/890921114.db2.gz AWIPTASGSNDRLZ-QMMMGPOBSA-N 1 2 296.331 -1.748 20 0 CAADLO C[C@@H](CNC(=O)Cn1ncnn1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001428631033 890921798 /nfs/dbraw/zinc/92/17/98/890921798.db2.gz IGMSVMXNNXJNEB-QMMMGPOBSA-N 1 2 292.303 -1.740 20 0 CAADLO COCCC(=O)N[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1O ZINC001428904303 890927737 /nfs/dbraw/zinc/92/77/37/890927737.db2.gz LLVPXSGAAUBEJR-MNOVXSKESA-N 1 2 296.327 -1.393 20 0 CAADLO CN(CCNC(=O)[C@H]1COCCO1)C(=O)Cn1cc[nH+]c1 ZINC001429185757 890932315 /nfs/dbraw/zinc/93/23/15/890932315.db2.gz WWLGKTCIKMCABQ-LLVKDONJSA-N 1 2 296.327 -1.127 20 0 CAADLO CN(CCNC(=O)[C@@H]1COCCO1)C(=O)Cn1cc[nH+]c1 ZINC001429185763 890933332 /nfs/dbraw/zinc/93/33/32/890933332.db2.gz WWLGKTCIKMCABQ-NSHDSACASA-N 1 2 296.327 -1.127 20 0 CAADLO CN(CCNC(=O)c1nnn(C)n1)C(=O)Cn1cc[nH+]c1 ZINC001429422201 890937884 /nfs/dbraw/zinc/93/78/84/890937884.db2.gz AGYXLYXNYYBRDZ-UHFFFAOYSA-N 1 2 292.303 -1.705 20 0 CAADLO COC(=O)NCC(=O)N(C)CCNC(=O)Cc1[nH]cc[nH+]1 ZINC001429439531 890939586 /nfs/dbraw/zinc/93/95/86/890939586.db2.gz GVJFOJUNSJOFRR-UHFFFAOYSA-N 1 2 297.315 -1.117 20 0 CAADLO CCN(CCNC(=O)Cn1cc[nH+]c1)C(=O)CNC(C)=O ZINC001429626421 890940903 /nfs/dbraw/zinc/94/09/03/890940903.db2.gz UJDMNKGUJLBORC-UHFFFAOYSA-N 1 2 295.343 -1.016 20 0 CAADLO COC(=O)NCC(=O)N1CC(NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001430310002 890951099 /nfs/dbraw/zinc/95/10/99/890951099.db2.gz ZPPHNSXBLKWSMK-UHFFFAOYSA-N 1 2 295.299 -1.365 20 0 CAADLO CC(=O)NCC(=O)NCC1CN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001430313375 890951600 /nfs/dbraw/zinc/95/16/00/890951600.db2.gz BUUMXIWLSYRHJF-UHFFFAOYSA-N 1 2 293.327 -1.337 20 0 CAADLO O=C(Cc1c[nH]c[nH+]1)NCC1CN(C(=O)c2cn[nH]n2)C1 ZINC001430446348 890955537 /nfs/dbraw/zinc/95/55/37/890955537.db2.gz OAVKTRQXURAMFM-UHFFFAOYSA-N 1 2 289.299 -1.041 20 0 CAADLO C[C@@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)NC(=O)c1cn[nH]n1 ZINC001430484724 890956121 /nfs/dbraw/zinc/95/61/21/890956121.db2.gz OYXWSHAZJKYXGN-WCBMZHEXSA-N 1 2 296.331 -1.630 20 0 CAADLO C[C@@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)NC(=O)c1cn[nH]n1 ZINC001430484724 890956130 /nfs/dbraw/zinc/95/61/30/890956130.db2.gz OYXWSHAZJKYXGN-WCBMZHEXSA-N 1 2 296.331 -1.630 20 0 CAADLO C[C@@H](CNC(=O)Cn1cc[nH+]c1)NC(=O)[C@@H]1CCC(=O)N1 ZINC001430627165 890959056 /nfs/dbraw/zinc/95/90/56/890959056.db2.gz KNHBNMIULMZNGM-UWVGGRQHSA-N 1 2 293.327 -1.217 20 0 CAADLO C[C@H](CNC(=O)[C@H]1CNC(=O)N1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001430757392 890959503 /nfs/dbraw/zinc/95/95/03/890959503.db2.gz YVUHSROHSLDGGF-VXNVDRBHSA-N 1 2 294.315 -1.746 20 0 CAADLO C[C@H](CNC(=O)Cc1[nH]cc[nH+]1)NC(=O)[C@H]1CCC(=O)N1 ZINC001430746057 890959521 /nfs/dbraw/zinc/95/95/21/890959521.db2.gz VTJRGGDNCQOFEJ-RKDXNWHRSA-N 1 2 293.327 -1.148 20 0 CAADLO CNC(=O)NCC(=O)N[C@@H](C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001430743111 890960455 /nfs/dbraw/zinc/96/04/55/890960455.db2.gz LJRSTPSVWSLSJS-QMMMGPOBSA-N 1 2 296.331 -1.498 20 0 CAADLO CO[C@@H](C)CC(=O)NC[C@H](O)CNC(=O)Cn1cc[nH+]c1 ZINC001431495067 890979853 /nfs/dbraw/zinc/97/98/53/890979853.db2.gz MVPXGZUVNOJOKK-QWRGUYRKSA-N 1 2 298.343 -1.099 20 0 CAADLO CC(C)[C@@H](O)C(=O)NC[C@H](O)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001431528227 890982485 /nfs/dbraw/zinc/98/24/85/890982485.db2.gz FREZROHIGPLEGB-BXKDBHETSA-N 1 2 298.343 -1.438 20 0 CAADLO CC(=O)N1CC[NH+](CCN(C)C(=O)[C@@H]2CNC(=O)N2)CC1 ZINC001432049694 890994438 /nfs/dbraw/zinc/99/44/38/890994438.db2.gz HAXPDDVOPJNAIO-NSHDSACASA-N 1 2 297.359 -1.710 20 0 CAADLO CC(=O)N1CC[NH+](CCN(C)C(=O)[C@H]2CNC(=O)N2)CC1 ZINC001432049691 890994870 /nfs/dbraw/zinc/99/48/70/890994870.db2.gz HAXPDDVOPJNAIO-LLVKDONJSA-N 1 2 297.359 -1.710 20 0 CAADLO Cc1[nH+]c[nH]c1CC(=O)NC1CN(C(=O)CNC(N)=O)C1 ZINC001432302057 890999696 /nfs/dbraw/zinc/99/96/96/890999696.db2.gz FQHCJPZWCSDBPJ-UHFFFAOYSA-N 1 2 294.315 -1.744 20 0 CAADLO COCC(=O)NC[C@]1(O)CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001432780863 891008588 /nfs/dbraw/zinc/00/85/88/891008588.db2.gz MDZVOZSPKJTJRZ-CYBMUJFWSA-N 1 2 296.327 -1.322 20 0 CAADLO COCC(=O)NC[C@@]1(O)CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001432780869 891009371 /nfs/dbraw/zinc/00/93/71/891009371.db2.gz MDZVOZSPKJTJRZ-ZDUSSCGKSA-N 1 2 296.327 -1.322 20 0 CAADLO O=C(Cc1[nH]cc[nH+]1)NC[C@H](O)CNC(=O)C(F)F ZINC001433212815 891014001 /nfs/dbraw/zinc/01/40/01/891014001.db2.gz MCPVXUIVIRDRCX-LURJTMIESA-N 1 2 276.243 -1.189 20 0 CAADLO O=C(Cc1[nH]cc[nH+]1)NC[C@@H](O)CNC(=O)C(F)F ZINC001433212817 891015990 /nfs/dbraw/zinc/01/59/90/891015990.db2.gz MCPVXUIVIRDRCX-ZCFIWIBFSA-N 1 2 276.243 -1.189 20 0 CAADLO COCC(=O)NC[C@H](O)CNC(=O)CCc1c[nH]c[nH+]1 ZINC001433227829 891017217 /nfs/dbraw/zinc/01/72/17/891017217.db2.gz ZNNYVJQBUWUXCW-SNVBAGLBSA-N 1 2 284.316 -1.418 20 0 CAADLO COCC(=O)NC[C@H](O)CNC(=O)CCc1c[nH+]c[nH]1 ZINC001433227829 891017232 /nfs/dbraw/zinc/01/72/32/891017232.db2.gz ZNNYVJQBUWUXCW-SNVBAGLBSA-N 1 2 284.316 -1.418 20 0 CAADLO CCO[C@@H](C)C(=O)NC[C@H](O)CNC(=O)Cn1cc[nH+]c1 ZINC001433240342 891021650 /nfs/dbraw/zinc/02/16/50/891021650.db2.gz FLGAVCSZWQKZKF-WDEREUQCSA-N 1 2 298.343 -1.099 20 0 CAADLO CO[C@H](C)C(=O)NC[C@H](O)CNC(=O)CCc1c[nH]c[nH+]1 ZINC001433256760 891023541 /nfs/dbraw/zinc/02/35/41/891023541.db2.gz NGZYQRQBDHFHKP-MWLCHTKSSA-N 1 2 298.343 -1.030 20 0 CAADLO CO[C@H](C)C(=O)NC[C@H](O)CNC(=O)CCc1c[nH+]c[nH]1 ZINC001433256760 891023550 /nfs/dbraw/zinc/02/35/50/891023550.db2.gz NGZYQRQBDHFHKP-MWLCHTKSSA-N 1 2 298.343 -1.030 20 0 CAADLO O=C(Cn1cc[nH+]c1)NC[C@@H](O)CNC(=O)c1ncc[nH]1 ZINC001433282905 891024118 /nfs/dbraw/zinc/02/41/18/891024118.db2.gz XQUSDBQQWIXMMW-SECBINFHSA-N 1 2 292.299 -1.487 20 0 CAADLO O=C(Cn1cc[nH+]c1)NC[C@H](O)CNC(=O)c1ncc[nH]1 ZINC001433282906 891024497 /nfs/dbraw/zinc/02/44/97/891024497.db2.gz XQUSDBQQWIXMMW-VIFPVBQESA-N 1 2 292.299 -1.487 20 0 CAADLO O=C(Cn1cc[nH+]c1)NC[C@@H](O)CNC(=O)c1cnco1 ZINC001433314750 891025585 /nfs/dbraw/zinc/02/55/85/891025585.db2.gz IMXHSDJDPDKGBR-SECBINFHSA-N 1 2 293.283 -1.222 20 0 CAADLO O=C(Cn1cc[nH+]c1)NC[C@@H](O)CNC(=O)c1cnon1 ZINC001433306011 891026878 /nfs/dbraw/zinc/02/68/78/891026878.db2.gz CKBLDVKBUNYSMA-MRVPVSSYSA-N 1 2 294.271 -1.827 20 0 CAADLO C[C@H](CNC(=O)[C@H]1CCC(=O)N1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001433505479 891031759 /nfs/dbraw/zinc/03/17/59/891031759.db2.gz WICIAQMXMPMHQW-PSASIEDQSA-N 1 2 293.327 -1.148 20 0 CAADLO C[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)NC(=O)[C@@H]1COCCO1 ZINC001433515390 891034365 /nfs/dbraw/zinc/03/43/65/891034365.db2.gz JFDJOVPCPMCNBY-UWVGGRQHSA-N 1 2 296.327 -1.012 20 0 CAADLO C[C@@H](CNC(=O)[C@@H]1CNC(=O)N1)NC(=O)Cn1cc[nH+]c1 ZINC001433563800 891036061 /nfs/dbraw/zinc/03/60/61/891036061.db2.gz NKOFWHPZOGUNKU-IUCAKERBSA-N 1 2 294.315 -1.815 20 0 CAADLO C[C@H](Cn1cc[nH+]c1)NC(=O)c1cn(CC(N)=O)nn1 ZINC001433613335 891040204 /nfs/dbraw/zinc/04/02/04/891040204.db2.gz NTVYBSKXCQBLSD-MRVPVSSYSA-N 1 2 277.288 -1.222 20 0 CAADLO CNC(=O)NCC(=O)NC[C@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001433627275 891040710 /nfs/dbraw/zinc/04/07/10/891040710.db2.gz BBDNERJVPPYDMT-QMMMGPOBSA-N 1 2 296.331 -1.498 20 0 CAADLO C[C@@H]1OC(=O)N[C@H]1C(=O)N[C@@H]1CCC[N@H+](CC(N)=O)C1 ZINC001433662906 891043282 /nfs/dbraw/zinc/04/32/82/891043282.db2.gz CBDGYOHEUMEKMQ-QXFUBDJGSA-N 1 2 284.316 -1.451 20 0 CAADLO C[C@@H]1OC(=O)N[C@H]1C(=O)N[C@@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001433662906 891043293 /nfs/dbraw/zinc/04/32/93/891043293.db2.gz CBDGYOHEUMEKMQ-QXFUBDJGSA-N 1 2 284.316 -1.451 20 0 CAADLO CC(C)(O)[C@@H](O)C(=O)N[C@@H]1CCC[N@H+](CC(N)=O)C1 ZINC001433665044 891044548 /nfs/dbraw/zinc/04/45/48/891044548.db2.gz NJQXDNXDRRZFIQ-SCZZXKLOSA-N 1 2 273.333 -1.816 20 0 CAADLO CC(C)(O)[C@@H](O)C(=O)N[C@@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001433665044 891044555 /nfs/dbraw/zinc/04/45/55/891044555.db2.gz NJQXDNXDRRZFIQ-SCZZXKLOSA-N 1 2 273.333 -1.816 20 0 CAADLO CNS(=O)(=O)NCC(=O)NCc1[nH]c(C)c(C)[nH+]1 ZINC001433776501 891052120 /nfs/dbraw/zinc/05/21/20/891052120.db2.gz NKNVGVMLPQKMSA-UHFFFAOYSA-N 1 2 275.334 -1.303 20 0 CAADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)c1ncn(C)n1 ZINC001433778556 891053370 /nfs/dbraw/zinc/05/33/70/891053370.db2.gz QMCMEMGAAFYWPI-SNVBAGLBSA-N 1 2 283.332 -1.420 20 0 CAADLO CCC[N@H+](C)CC(=O)NC[C@@]1(O)CCS(=O)(=O)C1 ZINC001433991753 891069313 /nfs/dbraw/zinc/06/93/13/891069313.db2.gz JZCFZPJLLNEOPR-NSHDSACASA-N 1 2 278.374 -1.006 20 0 CAADLO CCC[N@@H+](C)CC(=O)NC[C@@]1(O)CCS(=O)(=O)C1 ZINC001433991753 891069319 /nfs/dbraw/zinc/06/93/19/891069319.db2.gz JZCFZPJLLNEOPR-NSHDSACASA-N 1 2 278.374 -1.006 20 0 CAADLO Cn1c[nH+]cc1[C@H](CO)NC(=O)c1cn(C)c(=O)[nH]c1=O ZINC001434220017 891086775 /nfs/dbraw/zinc/08/67/75/891086775.db2.gz BZLOMRMUHDWVRE-QMMMGPOBSA-N 1 2 293.283 -1.317 20 0 CAADLO COc1c(=O)[nH]c(=O)[nH]c1C(=O)N1CC[N@H+](C)C[C@@H]1CO ZINC001434231140 891089632 /nfs/dbraw/zinc/08/96/32/891089632.db2.gz YZFQSWCJSOSWDN-SSDOTTSWSA-N 1 2 298.299 -1.355 20 0 CAADLO COc1c(=O)[nH]c(=O)[nH]c1C(=O)N1CC[N@@H+](C)C[C@@H]1CO ZINC001434231140 891089645 /nfs/dbraw/zinc/08/96/45/891089645.db2.gz YZFQSWCJSOSWDN-SSDOTTSWSA-N 1 2 298.299 -1.355 20 0 CAADLO COc1c(=O)[nH]c(=O)[nH]c1C(=O)N1CC[N@H+](C)C[C@H]1CO ZINC001434231142 891091718 /nfs/dbraw/zinc/09/17/18/891091718.db2.gz YZFQSWCJSOSWDN-ZETCQYMHSA-N 1 2 298.299 -1.355 20 0 CAADLO COc1c(=O)[nH]c(=O)[nH]c1C(=O)N1CC[N@@H+](C)C[C@H]1CO ZINC001434231142 891091734 /nfs/dbraw/zinc/09/17/34/891091734.db2.gz YZFQSWCJSOSWDN-ZETCQYMHSA-N 1 2 298.299 -1.355 20 0 CAADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC(NS(N)(=O)=O)C1 ZINC001434241043 891093507 /nfs/dbraw/zinc/09/35/07/891093507.db2.gz SYMFOKIXBKCKDX-RKDXNWHRSA-N 1 2 299.356 -1.473 20 0 CAADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CCNC(=O)CO ZINC001434340609 891103922 /nfs/dbraw/zinc/10/39/22/891103922.db2.gz PSRSNSCTUHKUFB-VIFPVBQESA-N 1 2 297.315 -2.318 20 0 CAADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CCNC(=O)CO ZINC001434340609 891103928 /nfs/dbraw/zinc/10/39/28/891103928.db2.gz PSRSNSCTUHKUFB-VIFPVBQESA-N 1 2 297.315 -2.318 20 0 CAADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C1CN(C(C)=O)C1 ZINC001434336365 891104956 /nfs/dbraw/zinc/10/49/56/891104956.db2.gz BPXALTUEMUZZHD-NSHDSACASA-N 1 2 293.327 -1.339 20 0 CAADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C1CN(C(C)=O)C1 ZINC001434336365 891104967 /nfs/dbraw/zinc/10/49/67/891104967.db2.gz BPXALTUEMUZZHD-NSHDSACASA-N 1 2 293.327 -1.339 20 0 CAADLO COC(=O)[C@H](Cn1cncn1)NC(=O)Cn1cc[nH+]c1 ZINC001434393871 891111014 /nfs/dbraw/zinc/11/10/14/891111014.db2.gz LJVOCQVQPIKGAG-VIFPVBQESA-N 1 2 278.272 -1.167 20 0 CAADLO COC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H]1CN(C)C(=O)N1 ZINC001434387092 891111238 /nfs/dbraw/zinc/11/12/38/891111238.db2.gz PJYHHTYRZYMBHI-RKDXNWHRSA-N 1 2 295.299 -1.366 20 0 CAADLO COC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H]1CN(C)C(=O)N1 ZINC001434387092 891111247 /nfs/dbraw/zinc/11/12/47/891111247.db2.gz PJYHHTYRZYMBHI-RKDXNWHRSA-N 1 2 295.299 -1.366 20 0 CAADLO NC(=O)C[N@@H+]1CCCN(c2cc(C(N)=O)ncn2)CC1 ZINC001434440283 891117546 /nfs/dbraw/zinc/11/75/46/891117546.db2.gz BMNZXGOIDMOXCK-UHFFFAOYSA-N 1 2 278.316 -1.427 20 0 CAADLO NC(=O)C[N@H+]1CCCN(c2cc(C(N)=O)ncn2)CC1 ZINC001434440283 891117551 /nfs/dbraw/zinc/11/75/51/891117551.db2.gz BMNZXGOIDMOXCK-UHFFFAOYSA-N 1 2 278.316 -1.427 20 0 CAADLO CNC(=O)[C@H](C)C[N@H+](C)Cc1cc(=O)n2[nH]c(N)nc2n1 ZINC001434457326 891117645 /nfs/dbraw/zinc/11/76/45/891117645.db2.gz JJYJLCFLPLNFDJ-SSDOTTSWSA-N 1 2 293.331 -1.186 20 0 CAADLO CNC(=O)[C@H](C)C[N@@H+](C)Cc1cc(=O)n2[nH]c(N)nc2n1 ZINC001434457326 891117648 /nfs/dbraw/zinc/11/76/48/891117648.db2.gz JJYJLCFLPLNFDJ-SSDOTTSWSA-N 1 2 293.331 -1.186 20 0 CAADLO NC(=O)[C@@H]1C[N@H+](C[C@H](O)C[C@]2(O)CCOC2)CCO1 ZINC001434459671 891117985 /nfs/dbraw/zinc/11/79/85/891117985.db2.gz TYBDKWBVBOXIDB-JFGNBEQYSA-N 1 2 274.317 -1.925 20 0 CAADLO NC(=O)[C@@H]1C[N@@H+](C[C@H](O)C[C@]2(O)CCOC2)CCO1 ZINC001434459671 891117988 /nfs/dbraw/zinc/11/79/88/891117988.db2.gz TYBDKWBVBOXIDB-JFGNBEQYSA-N 1 2 274.317 -1.925 20 0 CAADLO CC(C)(C)NC(=O)CNC(=O)C[N@@H+]1C[C@H](O)[C@@H](CO)C1 ZINC001434473216 891120184 /nfs/dbraw/zinc/12/01/84/891120184.db2.gz QGSCCFGNFMSPEC-ZJUUUORDSA-N 1 2 287.360 -1.698 20 0 CAADLO CC(C)(C)NC(=O)CNC(=O)C[N@H+]1C[C@H](O)[C@@H](CO)C1 ZINC001434473216 891120187 /nfs/dbraw/zinc/12/01/87/891120187.db2.gz QGSCCFGNFMSPEC-ZJUUUORDSA-N 1 2 287.360 -1.698 20 0 CAADLO CC(C)(C)NC(=O)CNC(=O)C[N@H+]1C[C@H](CO)[C@H](O)C1 ZINC001434473213 891120199 /nfs/dbraw/zinc/12/01/99/891120199.db2.gz QGSCCFGNFMSPEC-NXEZZACHSA-N 1 2 287.360 -1.698 20 0 CAADLO CC(C)(C)NC(=O)CNC(=O)C[N@@H+]1C[C@H](CO)[C@H](O)C1 ZINC001434473213 891120200 /nfs/dbraw/zinc/12/02/00/891120200.db2.gz QGSCCFGNFMSPEC-NXEZZACHSA-N 1 2 287.360 -1.698 20 0 CAADLO CC(C)(C)NC(=O)CNC(=O)C[N@@H+]1C[C@H](O)[C@H](CO)C1 ZINC001434473214 891121273 /nfs/dbraw/zinc/12/12/73/891121273.db2.gz QGSCCFGNFMSPEC-UWVGGRQHSA-N 1 2 287.360 -1.698 20 0 CAADLO CC(C)(C)NC(=O)CNC(=O)C[N@H+]1C[C@H](O)[C@H](CO)C1 ZINC001434473214 891121280 /nfs/dbraw/zinc/12/12/80/891121280.db2.gz QGSCCFGNFMSPEC-UWVGGRQHSA-N 1 2 287.360 -1.698 20 0 CAADLO Cn1ccn2c(C[NH+]3C[C@@H](CO)[C@H](CO)C3)nnc2c1=O ZINC001434480799 891122036 /nfs/dbraw/zinc/12/20/36/891122036.db2.gz NXGFQVPWFGCVSL-UWVGGRQHSA-N 1 2 293.327 -1.539 20 0 CAADLO CCn1cc(C[NH2+]C[C@@]2(O)CCS(=O)(=O)C2)nn1 ZINC001434512211 891122958 /nfs/dbraw/zinc/12/29/58/891122958.db2.gz VJQFHFILOFGMLX-JTQLQIEISA-N 1 2 274.346 -1.063 20 0 CAADLO COC(=O)Cn1cc(C[N@@H+]2C[C@H](O)C[C@H]2CO)nn1 ZINC001434524738 891123080 /nfs/dbraw/zinc/12/30/80/891123080.db2.gz BWLLRHIAVAUHHL-VHSXEESVSA-N 1 2 270.289 -1.621 20 0 CAADLO COC(=O)Cn1cc(C[N@H+]2C[C@H](O)C[C@H]2CO)nn1 ZINC001434524738 891123089 /nfs/dbraw/zinc/12/30/89/891123089.db2.gz BWLLRHIAVAUHHL-VHSXEESVSA-N 1 2 270.289 -1.621 20 0 CAADLO NC(=O)Cn1cc(C[NH+]2CCC3(COC(=O)N3)CC2)nn1 ZINC001434521921 891123347 /nfs/dbraw/zinc/12/33/47/891123347.db2.gz VHHWUCKIFZZVMK-UHFFFAOYSA-N 1 2 294.315 -1.162 20 0 CAADLO COC[C@]1(CO)CC[N@H+](Cc2cn(CC(N)=O)nn2)C1 ZINC001434531510 891123483 /nfs/dbraw/zinc/12/34/83/891123483.db2.gz VCPXCJKKEVQDMG-GFCCVEGCSA-N 1 2 283.332 -1.406 20 0 CAADLO COC[C@]1(CO)CC[N@@H+](Cc2cn(CC(N)=O)nn2)C1 ZINC001434531510 891123492 /nfs/dbraw/zinc/12/34/92/891123492.db2.gz VCPXCJKKEVQDMG-GFCCVEGCSA-N 1 2 283.332 -1.406 20 0 CAADLO CON1CC[C@H]([N@@H+]2CCN3CCOC[C@]3(CO)C2)C1=O ZINC001434492771 891123558 /nfs/dbraw/zinc/12/35/58/891123558.db2.gz RHKFWRJDNMIBMW-WCQYABFASA-N 1 2 285.344 -1.472 20 0 CAADLO CON1CC[C@H]([N@H+]2CCN3CCOC[C@]3(CO)C2)C1=O ZINC001434492771 891123567 /nfs/dbraw/zinc/12/35/67/891123567.db2.gz RHKFWRJDNMIBMW-WCQYABFASA-N 1 2 285.344 -1.472 20 0 CAADLO COC[C@@]1(CO)CC[N@H+](Cc2cn(CC(N)=O)nn2)C1 ZINC001434531512 891123953 /nfs/dbraw/zinc/12/39/53/891123953.db2.gz VCPXCJKKEVQDMG-LBPRGKRZSA-N 1 2 283.332 -1.406 20 0 CAADLO COC[C@@]1(CO)CC[N@@H+](Cc2cn(CC(N)=O)nn2)C1 ZINC001434531512 891123961 /nfs/dbraw/zinc/12/39/61/891123961.db2.gz VCPXCJKKEVQDMG-LBPRGKRZSA-N 1 2 283.332 -1.406 20 0 CAADLO COC[C@@](C)(CO)[NH2+]Cc1nnc2c(=O)n(C)ccn12 ZINC001434498235 891124066 /nfs/dbraw/zinc/12/40/66/891124066.db2.gz GBZNNVOTZVMUJC-GFCCVEGCSA-N 1 2 281.316 -1.085 20 0 CAADLO CNC(=O)C[C@@H](C)NS(=O)(=O)N1CC[NH+](C)CC1 ZINC001434567966 891128619 /nfs/dbraw/zinc/12/86/19/891128619.db2.gz MSXUCPNUNXAYKF-SECBINFHSA-N 1 2 278.378 -1.407 20 0 CAADLO COC(=O)C[C@H](O)CNS(=O)(=O)CCn1cc[nH+]c1 ZINC001434587467 891130897 /nfs/dbraw/zinc/13/08/97/891130897.db2.gz QCMKQGIHWVTUTC-VIFPVBQESA-N 1 2 291.329 -1.274 20 0 CAADLO CCCNS(=O)(=O)N1CCC[N@@H+](CC(=O)NC)CC1 ZINC001434634292 891133065 /nfs/dbraw/zinc/13/30/65/891133065.db2.gz JVRPPXMEJOWMTO-UHFFFAOYSA-N 1 2 292.405 -1.016 20 0 CAADLO CCCNS(=O)(=O)N1CCC[N@H+](CC(=O)NC)CC1 ZINC001434634292 891133062 /nfs/dbraw/zinc/13/30/62/891133062.db2.gz JVRPPXMEJOWMTO-UHFFFAOYSA-N 1 2 292.405 -1.016 20 0 CAADLO C[C@H](NS(=O)(=O)N1CC[NH+](C)CC1)c1nnnn1C ZINC001434644145 891133113 /nfs/dbraw/zinc/13/31/13/891133113.db2.gz KVILHYZTCMDUSA-QMMMGPOBSA-N 1 2 289.365 -1.647 20 0 CAADLO CN(C[C@@H]1CCN1CC(N)=O)C(=O)Cc1c[nH+]cn1C ZINC001436331138 891147830 /nfs/dbraw/zinc/14/78/30/891147830.db2.gz UJAHAXYAAOVKEW-JTQLQIEISA-N 1 2 279.344 -1.019 20 0 CAADLO CN(C[C@H]1CCN1CC(N)=O)C(=O)Cc1c[nH+]cn1C ZINC001436331144 891148367 /nfs/dbraw/zinc/14/83/67/891148367.db2.gz UJAHAXYAAOVKEW-SNVBAGLBSA-N 1 2 279.344 -1.019 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CC[C@@H]1CN(C)C(=O)Cn1cncn1 ZINC001436331823 891148545 /nfs/dbraw/zinc/14/85/45/891148545.db2.gz OXKYCQVDPHNTFZ-NXEZZACHSA-N 1 2 280.332 -1.315 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CC[C@@H]1CN(C)C(=O)Cn1cncn1 ZINC001436331823 891148549 /nfs/dbraw/zinc/14/85/49/891148549.db2.gz OXKYCQVDPHNTFZ-NXEZZACHSA-N 1 2 280.332 -1.315 20 0 CAADLO Cn1cnc(C(=O)NC[C@H]2CCC3(C[NH+](CCO)C3)O2)n1 ZINC001435756041 891148631 /nfs/dbraw/zinc/14/86/31/891148631.db2.gz BIYCCKGJGNLXBX-SNVBAGLBSA-N 1 2 295.343 -1.229 20 0 CAADLO Cn1cnc(C(=O)NC[C@@H]2CCC3(C[NH+](CCO)C3)O2)n1 ZINC001435756040 891148855 /nfs/dbraw/zinc/14/88/55/891148855.db2.gz BIYCCKGJGNLXBX-JTQLQIEISA-N 1 2 295.343 -1.229 20 0 CAADLO CO[C@H](C)C(=O)N[C@H]1CC[N@H+](CC(=O)NC(N)=O)[C@@H]1C ZINC001436468548 891151476 /nfs/dbraw/zinc/15/14/76/891151476.db2.gz AITXKBYAQJOBOB-HLTSFMKQSA-N 1 2 286.332 -1.205 20 0 CAADLO CO[C@H](C)C(=O)N[C@H]1CC[N@@H+](CC(=O)NC(N)=O)[C@@H]1C ZINC001436468548 891151483 /nfs/dbraw/zinc/15/14/83/891151483.db2.gz AITXKBYAQJOBOB-HLTSFMKQSA-N 1 2 286.332 -1.205 20 0 CAADLO O=C(NCC[NH+]1CCN(CCF)CC1)[C@@H]1CCC(=O)N1 ZINC001436709622 891152922 /nfs/dbraw/zinc/15/29/22/891152922.db2.gz LTMHWOYZDOFYRN-NSHDSACASA-N 1 2 286.351 -1.032 20 0 CAADLO C[C@H](C(N)=O)[NH+]1CCN(CCNC(=O)C(F)F)CC1 ZINC001436699672 891153672 /nfs/dbraw/zinc/15/36/72/891153672.db2.gz OKUGJEBCRKEMAW-MRVPVSSYSA-N 1 2 278.303 -1.141 20 0 CAADLO CCC(=O)NCC[NH+]1CCN(CC(=O)NC(=O)NC)CC1 ZINC001436698190 891153908 /nfs/dbraw/zinc/15/39/08/891153908.db2.gz GKBAOJQSSWLGTA-UHFFFAOYSA-N 1 2 299.375 -1.414 20 0 CAADLO CO[C@H](C)C(=O)N[C@H]1CCC[N@H+](CC(=O)NC(N)=O)C1 ZINC001436683953 891154365 /nfs/dbraw/zinc/15/43/65/891154365.db2.gz HWNANKCODWQLJZ-BDAKNGLRSA-N 1 2 286.332 -1.203 20 0 CAADLO CO[C@H](C)C(=O)N[C@H]1CCC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001436683953 891154370 /nfs/dbraw/zinc/15/43/70/891154370.db2.gz HWNANKCODWQLJZ-BDAKNGLRSA-N 1 2 286.332 -1.203 20 0 CAADLO CNC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)Cc2ncn[nH]2)C1 ZINC001436877337 891156378 /nfs/dbraw/zinc/15/63/78/891156378.db2.gz MRJFMIOLQYPEOF-IUCAKERBSA-N 1 2 280.332 -1.328 20 0 CAADLO CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC(=O)N(C)C2)C1 ZINC001436732101 891156962 /nfs/dbraw/zinc/15/69/62/891156962.db2.gz YQRTXYBLTBPSIF-MNOVXSKESA-N 1 2 296.371 -1.209 20 0 CAADLO CCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CC(=O)N(C)C2)C1 ZINC001436732101 891156967 /nfs/dbraw/zinc/15/69/67/891156967.db2.gz YQRTXYBLTBPSIF-MNOVXSKESA-N 1 2 296.371 -1.209 20 0 CAADLO CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cn2cncn2)C1 ZINC001436745174 891157142 /nfs/dbraw/zinc/15/71/42/891157142.db2.gz KNZMOQBOCQQMLP-SNVBAGLBSA-N 1 2 280.332 -1.395 20 0 CAADLO CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)Cn2cncn2)C1 ZINC001436745174 891157153 /nfs/dbraw/zinc/15/71/53/891157153.db2.gz KNZMOQBOCQQMLP-SNVBAGLBSA-N 1 2 280.332 -1.395 20 0 CAADLO CC(C)[C@@H](O)C(=O)N[C@H]1C[C@@H]([NH2+]Cc2nnn(C)n2)C1 ZINC001436955065 891158999 /nfs/dbraw/zinc/15/89/99/891158999.db2.gz ZCYZEVYGAGUVPG-WCABBAIRSA-N 1 2 282.348 -1.036 20 0 CAADLO C[C@H](CNC(=O)c1cn[nH]c1)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001437108633 891160720 /nfs/dbraw/zinc/16/07/20/891160720.db2.gz PHDSJALABIHXQZ-SSDOTTSWSA-N 1 2 279.304 -1.260 20 0 CAADLO C[C@H](NC(N)=O)C(=O)NC[C@H]1CCCC[N@@H+]1CC(N)=O ZINC001437040319 891161234 /nfs/dbraw/zinc/16/12/34/891161234.db2.gz VEWJJEGWJSSAQQ-DTWKUNHWSA-N 1 2 285.348 -1.501 20 0 CAADLO C[C@H](NC(N)=O)C(=O)NC[C@H]1CCCC[N@H+]1CC(N)=O ZINC001437040319 891161239 /nfs/dbraw/zinc/16/12/39/891161239.db2.gz VEWJJEGWJSSAQQ-DTWKUNHWSA-N 1 2 285.348 -1.501 20 0 CAADLO NC(=O)C[NH2+]C[C@H]1CCCN(C(=O)Cc2ncn[nH]2)C1 ZINC001437026013 891161634 /nfs/dbraw/zinc/16/16/34/891161634.db2.gz ZQMZGSRNRGGGJZ-SECBINFHSA-N 1 2 280.332 -1.339 20 0 CAADLO C[C@@H](CNC(=O)[C@@H]1CCOC1)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001437114029 891162545 /nfs/dbraw/zinc/16/25/45/891162545.db2.gz OJWKOEMHKWSPGH-DTWKUNHWSA-N 1 2 283.332 -1.261 20 0 CAADLO NC(=O)C[NH2+]C[C@@H]1CCCN(C(=O)Cc2ncn[nH]2)C1 ZINC001437026014 891162856 /nfs/dbraw/zinc/16/28/56/891162856.db2.gz ZQMZGSRNRGGGJZ-VIFPVBQESA-N 1 2 280.332 -1.339 20 0 CAADLO C[C@@H](CNC(=O)c1cn[nH]c1)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001437108638 891162880 /nfs/dbraw/zinc/16/28/80/891162880.db2.gz PHDSJALABIHXQZ-ZETCQYMHSA-N 1 2 279.304 -1.260 20 0 CAADLO CCc1nnc(C[NH2+][C@@H](C)CNC(=O)Cn2ncnn2)o1 ZINC001437134829 891165294 /nfs/dbraw/zinc/16/52/94/891165294.db2.gz JJBYBPKCLOHGDT-QMMMGPOBSA-N 1 2 294.319 -1.087 20 0 CAADLO CCc1nnc(C[NH2+][C@H](C)CNC(=O)Cn2ncnn2)o1 ZINC001437134827 891165673 /nfs/dbraw/zinc/16/56/73/891165673.db2.gz JJBYBPKCLOHGDT-MRVPVSSYSA-N 1 2 294.319 -1.087 20 0 CAADLO C[C@H](CNC(=O)c1n[nH]cc1F)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001437194958 891168355 /nfs/dbraw/zinc/16/83/55/891168355.db2.gz RNROMTFMFQKKSD-ZCFIWIBFSA-N 1 2 297.294 -1.121 20 0 CAADLO C[C@@H](CNC(=O)c1csnn1)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001437187573 891169001 /nfs/dbraw/zinc/16/90/01/891169001.db2.gz KVORHNJOJLVEPE-LURJTMIESA-N 1 2 297.344 -1.132 20 0 CAADLO C[C@H](CNC(=O)Cn1cncn1)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001437243962 891170615 /nfs/dbraw/zinc/17/06/15/891170615.db2.gz ISUGYTMPFRQJMY-MRVPVSSYSA-N 1 2 294.319 -2.006 20 0 CAADLO C[C@@H](CNC(=O)c1cccnn1)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001437224827 891170853 /nfs/dbraw/zinc/17/08/53/891170853.db2.gz OGZWKVCBEHBGQR-QMMMGPOBSA-N 1 2 291.315 -1.194 20 0 CAADLO C[C@@H](CNC(=O)Cn1cncn1)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001437243972 891171516 /nfs/dbraw/zinc/17/15/16/891171516.db2.gz ISUGYTMPFRQJMY-QMMMGPOBSA-N 1 2 294.319 -2.006 20 0 CAADLO CCN(C)C(=O)C[N@H+](C)CCNC(=O)[C@H]1COCCO1 ZINC001437438498 891176024 /nfs/dbraw/zinc/17/60/24/891176024.db2.gz HAPFPWROLJHXJS-LLVKDONJSA-N 1 2 287.360 -1.072 20 0 CAADLO CCN(C)C(=O)C[N@@H+](C)CCNC(=O)[C@H]1COCCO1 ZINC001437438498 891176030 /nfs/dbraw/zinc/17/60/30/891176030.db2.gz HAPFPWROLJHXJS-LLVKDONJSA-N 1 2 287.360 -1.072 20 0 CAADLO CNC(=O)NC(=O)C[N@H+](C)CCNC(=O)c1cnc(C)[nH]1 ZINC001437455210 891176715 /nfs/dbraw/zinc/17/67/15/891176715.db2.gz WUBCVFGWIAWFIM-UHFFFAOYSA-N 1 2 296.331 -1.165 20 0 CAADLO CNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)c1cnc(C)[nH]1 ZINC001437455210 891176723 /nfs/dbraw/zinc/17/67/23/891176723.db2.gz WUBCVFGWIAWFIM-UHFFFAOYSA-N 1 2 296.331 -1.165 20 0 CAADLO CCC(=O)NCC(=O)NCC[N@H+](C)CC(=O)NC1CC1 ZINC001437453939 891176854 /nfs/dbraw/zinc/17/68/54/891176854.db2.gz VQOFWOVERKFOTB-UHFFFAOYSA-N 1 2 284.360 -1.161 20 0 CAADLO CCC(=O)NCC(=O)NCC[N@@H+](C)CC(=O)NC1CC1 ZINC001437453939 891176862 /nfs/dbraw/zinc/17/68/62/891176862.db2.gz VQOFWOVERKFOTB-UHFFFAOYSA-N 1 2 284.360 -1.161 20 0 CAADLO CCNC(=O)C[N@H+](C)CCNC(=O)CCc1nnc[nH]1 ZINC001437443838 891177257 /nfs/dbraw/zinc/17/72/57/891177257.db2.gz BJSHFOJLQMRHIH-UHFFFAOYSA-N 1 2 282.348 -1.079 20 0 CAADLO CCNC(=O)C[N@@H+](C)CCNC(=O)CCc1nnc[nH]1 ZINC001437443838 891177260 /nfs/dbraw/zinc/17/72/60/891177260.db2.gz BJSHFOJLQMRHIH-UHFFFAOYSA-N 1 2 282.348 -1.079 20 0 CAADLO CCN(C)C(=O)C[N@H+](C)CCNC(=O)[C@@H]1COCCO1 ZINC001437438503 891177362 /nfs/dbraw/zinc/17/73/62/891177362.db2.gz HAPFPWROLJHXJS-NSHDSACASA-N 1 2 287.360 -1.072 20 0 CAADLO CCN(C)C(=O)C[N@@H+](C)CCNC(=O)[C@@H]1COCCO1 ZINC001437438503 891177369 /nfs/dbraw/zinc/17/73/69/891177369.db2.gz HAPFPWROLJHXJS-NSHDSACASA-N 1 2 287.360 -1.072 20 0 CAADLO COC(=O)[C@@H]1C[C@@H]1C(=O)NCC[N@H+](C)CC(=O)N(C)C ZINC001437451712 891177811 /nfs/dbraw/zinc/17/78/11/891177811.db2.gz QPIBGTSGTQHTCZ-VHSXEESVSA-N 1 2 285.344 -1.068 20 0 CAADLO COC(=O)[C@@H]1C[C@@H]1C(=O)NCC[N@@H+](C)CC(=O)N(C)C ZINC001437451712 891177820 /nfs/dbraw/zinc/17/78/20/891177820.db2.gz QPIBGTSGTQHTCZ-VHSXEESVSA-N 1 2 285.344 -1.068 20 0 CAADLO C[N@H+](CCNC(=O)c1nccnc1N)CC(=O)N1CCC1 ZINC001437446947 891178071 /nfs/dbraw/zinc/17/80/71/891178071.db2.gz FOFBXXFEXTYXCQ-UHFFFAOYSA-N 1 2 292.343 -1.047 20 0 CAADLO C[N@@H+](CCNC(=O)c1nccnc1N)CC(=O)N1CCC1 ZINC001437446947 891178078 /nfs/dbraw/zinc/17/80/78/891178078.db2.gz FOFBXXFEXTYXCQ-UHFFFAOYSA-N 1 2 292.343 -1.047 20 0 CAADLO CC(C)NC(=O)C[N@H+](C)CCNC(=O)[C@H]1COCCO1 ZINC001437436997 891178387 /nfs/dbraw/zinc/17/83/87/891178387.db2.gz BQHQNKHCWCAVJG-LLVKDONJSA-N 1 2 287.360 -1.026 20 0 CAADLO CC(C)NC(=O)C[N@@H+](C)CCNC(=O)[C@H]1COCCO1 ZINC001437436997 891178393 /nfs/dbraw/zinc/17/83/93/891178393.db2.gz BQHQNKHCWCAVJG-LLVKDONJSA-N 1 2 287.360 -1.026 20 0 CAADLO COC(=O)[C@H]1C[C@@H]1C(=O)NCC[N@H+](C)CC(=O)N(C)C ZINC001437451709 891178500 /nfs/dbraw/zinc/17/85/00/891178500.db2.gz QPIBGTSGTQHTCZ-UWVGGRQHSA-N 1 2 285.344 -1.068 20 0 CAADLO COC(=O)[C@H]1C[C@@H]1C(=O)NCC[N@@H+](C)CC(=O)N(C)C ZINC001437451709 891178505 /nfs/dbraw/zinc/17/85/05/891178505.db2.gz QPIBGTSGTQHTCZ-UWVGGRQHSA-N 1 2 285.344 -1.068 20 0 CAADLO CCNC(=O)C[N@H+](C)CCNC(=O)C[C@@H]1CCNC1=O ZINC001437474800 891179988 /nfs/dbraw/zinc/17/99/88/891179988.db2.gz CEMDDXGSTUBDNK-JTQLQIEISA-N 1 2 284.360 -1.303 20 0 CAADLO CCNC(=O)C[N@@H+](C)CCNC(=O)C[C@@H]1CCNC1=O ZINC001437474800 891179994 /nfs/dbraw/zinc/17/99/94/891179994.db2.gz CEMDDXGSTUBDNK-JTQLQIEISA-N 1 2 284.360 -1.303 20 0 CAADLO Cn1cncc1C(=O)NCC[N@@H+](C)Cc1nc(=O)n(C)[nH]1 ZINC001437491876 891180155 /nfs/dbraw/zinc/18/01/55/891180155.db2.gz JYRAORLTFFYFDR-UHFFFAOYSA-N 1 2 293.331 -1.296 20 0 CAADLO Cn1cncc1C(=O)NCC[N@H+](C)Cc1nc(=O)n(C)[nH]1 ZINC001437491876 891180162 /nfs/dbraw/zinc/18/01/62/891180162.db2.gz JYRAORLTFFYFDR-UHFFFAOYSA-N 1 2 293.331 -1.296 20 0 CAADLO CO[C@@H](C(=O)NCC[N@H+](C)CC(N)=O)[C@@H]1CCOC1 ZINC001437497570 891180321 /nfs/dbraw/zinc/18/03/21/891180321.db2.gz DCOUHKSKGWDDJZ-MWLCHTKSSA-N 1 2 273.333 -1.429 20 0 CAADLO CO[C@@H](C(=O)NCC[N@@H+](C)CC(N)=O)[C@@H]1CCOC1 ZINC001437497570 891180329 /nfs/dbraw/zinc/18/03/29/891180329.db2.gz DCOUHKSKGWDDJZ-MWLCHTKSSA-N 1 2 273.333 -1.429 20 0 CAADLO CO[C@H](C(=O)NCC[N@H+](C)CC(N)=O)[C@H]1CCOC1 ZINC001437497571 891180365 /nfs/dbraw/zinc/18/03/65/891180365.db2.gz DCOUHKSKGWDDJZ-ONGXEEELSA-N 1 2 273.333 -1.429 20 0 CAADLO CO[C@H](C(=O)NCC[N@@H+](C)CC(N)=O)[C@H]1CCOC1 ZINC001437497571 891180373 /nfs/dbraw/zinc/18/03/73/891180373.db2.gz DCOUHKSKGWDDJZ-ONGXEEELSA-N 1 2 273.333 -1.429 20 0 CAADLO C[N@H+](CCNC(=O)Cn1ncc2cccnc21)CC(N)=O ZINC001437495548 891180388 /nfs/dbraw/zinc/18/03/88/891180388.db2.gz LWFYKEFTOMKWSQ-UHFFFAOYSA-N 1 2 290.327 -1.035 20 0 CAADLO C[N@@H+](CCNC(=O)Cn1ncc2cccnc21)CC(N)=O ZINC001437495548 891180401 /nfs/dbraw/zinc/18/04/01/891180401.db2.gz LWFYKEFTOMKWSQ-UHFFFAOYSA-N 1 2 290.327 -1.035 20 0 CAADLO CNC(=O)C[N@H+](C)CCNC(=O)[C@@H]1CCC(=O)NC1 ZINC001437482799 891180821 /nfs/dbraw/zinc/18/08/21/891180821.db2.gz LKXABUIFUOTASW-SECBINFHSA-N 1 2 270.333 -1.693 20 0 CAADLO CNC(=O)C[N@@H+](C)CCNC(=O)[C@@H]1CCC(=O)NC1 ZINC001437482799 891180824 /nfs/dbraw/zinc/18/08/24/891180824.db2.gz LKXABUIFUOTASW-SECBINFHSA-N 1 2 270.333 -1.693 20 0 CAADLO CN(C)C(=O)C[N@H+](C)CCNC(=O)[C@H]1CCCC(=O)N1 ZINC001437478601 891180838 /nfs/dbraw/zinc/18/08/38/891180838.db2.gz SJWODIMNXSZCHL-SNVBAGLBSA-N 1 2 284.360 -1.209 20 0 CAADLO CN(C)C(=O)C[N@@H+](C)CCNC(=O)[C@H]1CCCC(=O)N1 ZINC001437478601 891180842 /nfs/dbraw/zinc/18/08/42/891180842.db2.gz SJWODIMNXSZCHL-SNVBAGLBSA-N 1 2 284.360 -1.209 20 0 CAADLO COCc1nn(C)cc1C(=O)NCC[N@H+](C)CC(N)=O ZINC001437484850 891180985 /nfs/dbraw/zinc/18/09/85/891180985.db2.gz SMXQJKZYZPXEAI-UHFFFAOYSA-N 1 2 283.332 -1.287 20 0 CAADLO COCc1nn(C)cc1C(=O)NCC[N@@H+](C)CC(N)=O ZINC001437484850 891180990 /nfs/dbraw/zinc/18/09/90/891180990.db2.gz SMXQJKZYZPXEAI-UHFFFAOYSA-N 1 2 283.332 -1.287 20 0 CAADLO CN(C)C(=O)C[N@H+](C)CCNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001437505312 891180995 /nfs/dbraw/zinc/18/09/95/891180995.db2.gz IGSFJYVTIYRQMU-VIFPVBQESA-N 1 2 285.348 -1.854 20 0 CAADLO CN(C)C(=O)C[N@@H+](C)CCNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001437505312 891181006 /nfs/dbraw/zinc/18/10/06/891181006.db2.gz IGSFJYVTIYRQMU-VIFPVBQESA-N 1 2 285.348 -1.854 20 0 CAADLO C[N@H+](CCNC(=O)c1ccnc2ccnn21)CC(N)=O ZINC001437480589 891181197 /nfs/dbraw/zinc/18/11/97/891181197.db2.gz WBQMEILSKTVGOD-UHFFFAOYSA-N 1 2 276.300 -1.124 20 0 CAADLO C[N@@H+](CCNC(=O)c1ccnc2ccnn21)CC(N)=O ZINC001437480589 891181200 /nfs/dbraw/zinc/18/12/00/891181200.db2.gz WBQMEILSKTVGOD-UHFFFAOYSA-N 1 2 276.300 -1.124 20 0 CAADLO CN(C)C(=O)C[N@H+](C)CCNC(=O)[C@@H]1CC[C@@H]1C(N)=O ZINC001437512196 891181264 /nfs/dbraw/zinc/18/12/64/891181264.db2.gz ULFJCZNQJVMPQY-VHSXEESVSA-N 1 2 284.360 -1.366 20 0 CAADLO CN(C)C(=O)C[N@@H+](C)CCNC(=O)[C@@H]1CC[C@@H]1C(N)=O ZINC001437512196 891181265 /nfs/dbraw/zinc/18/12/65/891181265.db2.gz ULFJCZNQJVMPQY-VHSXEESVSA-N 1 2 284.360 -1.366 20 0 CAADLO CNC(=O)C[N@H+](C)CCNC(=O)Cn1ncn(C)c1=O ZINC001437489747 891181956 /nfs/dbraw/zinc/18/19/56/891181956.db2.gz PWJDRPDEGLBQPB-UHFFFAOYSA-N 1 2 284.320 -2.624 20 0 CAADLO CNC(=O)C[N@@H+](C)CCNC(=O)Cn1ncn(C)c1=O ZINC001437489747 891181966 /nfs/dbraw/zinc/18/19/66/891181966.db2.gz PWJDRPDEGLBQPB-UHFFFAOYSA-N 1 2 284.320 -2.624 20 0 CAADLO CN(C)C(=O)C[N@H+](C)CCNC(=O)CCn1cnnn1 ZINC001437537043 891183113 /nfs/dbraw/zinc/18/31/13/891183113.db2.gz GEUAXERLNBCXLS-UHFFFAOYSA-N 1 2 283.336 -1.801 20 0 CAADLO CN(C)C(=O)C[N@@H+](C)CCNC(=O)CCn1cnnn1 ZINC001437537043 891183118 /nfs/dbraw/zinc/18/31/18/891183118.db2.gz GEUAXERLNBCXLS-UHFFFAOYSA-N 1 2 283.336 -1.801 20 0 CAADLO Cn1[nH]c(C[N@H+](C)CCNC(=O)Cn2cncn2)nc1=O ZINC001437555359 891183545 /nfs/dbraw/zinc/18/35/45/891183545.db2.gz BKWBYOZTVYTZQT-UHFFFAOYSA-N 1 2 294.319 -2.052 20 0 CAADLO Cn1[nH]c(C[N@@H+](C)CCNC(=O)Cn2cncn2)nc1=O ZINC001437555359 891183553 /nfs/dbraw/zinc/18/35/53/891183553.db2.gz BKWBYOZTVYTZQT-UHFFFAOYSA-N 1 2 294.319 -2.052 20 0 CAADLO CN(C(=O)C[N@H+](C)CCNC(=O)Cn1cncn1)C1CC1 ZINC001437559304 891183748 /nfs/dbraw/zinc/18/37/48/891183748.db2.gz RKYJORMTECPUJK-UHFFFAOYSA-N 1 2 294.359 -1.053 20 0 CAADLO CN(C(=O)C[N@@H+](C)CCNC(=O)Cn1cncn1)C1CC1 ZINC001437559304 891183759 /nfs/dbraw/zinc/18/37/59/891183759.db2.gz RKYJORMTECPUJK-UHFFFAOYSA-N 1 2 294.359 -1.053 20 0 CAADLO CNC(=O)C[N@H+](C)CCNC(=O)c1cnn(CCOC)c1 ZINC001437546282 891183780 /nfs/dbraw/zinc/18/37/80/891183780.db2.gz JAEZQFPITSSDTC-UHFFFAOYSA-N 1 2 297.359 -1.063 20 0 CAADLO CNC(=O)C[N@@H+](C)CCNC(=O)c1cnn(CCOC)c1 ZINC001437546282 891183791 /nfs/dbraw/zinc/18/37/91/891183791.db2.gz JAEZQFPITSSDTC-UHFFFAOYSA-N 1 2 297.359 -1.063 20 0 CAADLO C[C@@H](C(=O)NCC[N@H+](C)CC(N)=O)[C@@H]1CCC(=O)N1 ZINC001437518094 891183903 /nfs/dbraw/zinc/18/39/03/891183903.db2.gz KHUQRMHEXMPTBR-BDAKNGLRSA-N 1 2 270.333 -1.566 20 0 CAADLO C[C@@H](C(=O)NCC[N@@H+](C)CC(N)=O)[C@@H]1CCC(=O)N1 ZINC001437518094 891183913 /nfs/dbraw/zinc/18/39/13/891183913.db2.gz KHUQRMHEXMPTBR-BDAKNGLRSA-N 1 2 270.333 -1.566 20 0 CAADLO C[N@H+](CCNC(=O)Cc1nc[nH]n1)CC(=O)NCC1CC1 ZINC001437541829 891185060 /nfs/dbraw/zinc/18/50/60/891185060.db2.gz LPEJSOMHBSUOLQ-UHFFFAOYSA-N 1 2 294.359 -1.079 20 0 CAADLO C[N@@H+](CCNC(=O)Cc1nc[nH]n1)CC(=O)NCC1CC1 ZINC001437541829 891185067 /nfs/dbraw/zinc/18/50/67/891185067.db2.gz LPEJSOMHBSUOLQ-UHFFFAOYSA-N 1 2 294.359 -1.079 20 0 CAADLO CN(CCNC(=O)Cc1c[nH+]cn1C)Cc1nnnn1C ZINC001437543541 891185366 /nfs/dbraw/zinc/18/53/66/891185366.db2.gz YHYXPIQBRXGLTP-UHFFFAOYSA-N 1 2 292.347 -1.266 20 0 CAADLO CN(CCNC(=O)Cc1c[nH]c[nH+]1)Cc1nnnn1C ZINC001437529241 891185723 /nfs/dbraw/zinc/18/57/23/891185723.db2.gz VLZYGARFTMZNNN-UHFFFAOYSA-N 1 2 278.320 -1.276 20 0 CAADLO CC(=O)NCC(=O)NC[C@@H]1CC[N@@H+](Cc2ncnn2C)C1 ZINC001437692606 891187745 /nfs/dbraw/zinc/18/77/45/891187745.db2.gz BEPKZTABTSJAJW-NSHDSACASA-N 1 2 294.359 -1.111 20 0 CAADLO CC(=O)NCC(=O)NC[C@@H]1CC[N@H+](Cc2ncnn2C)C1 ZINC001437692606 891187748 /nfs/dbraw/zinc/18/77/48/891187748.db2.gz BEPKZTABTSJAJW-NSHDSACASA-N 1 2 294.359 -1.111 20 0 CAADLO CC[N@H+](CCNC(=O)Cc1nnc[nH]1)[C@@H](C)C(=O)NC ZINC001437647194 891187885 /nfs/dbraw/zinc/18/78/85/891187885.db2.gz SWIFAQZDMSEZIB-VIFPVBQESA-N 1 2 282.348 -1.080 20 0 CAADLO CC[N@@H+](CCNC(=O)Cc1nnc[nH]1)[C@@H](C)C(=O)NC ZINC001437647194 891187887 /nfs/dbraw/zinc/18/78/87/891187887.db2.gz SWIFAQZDMSEZIB-VIFPVBQESA-N 1 2 282.348 -1.080 20 0 CAADLO CC(=O)NCC(=O)NC[C@H]1CC[N@@H+](Cc2ncnn2C)C1 ZINC001437692602 891189360 /nfs/dbraw/zinc/18/93/60/891189360.db2.gz BEPKZTABTSJAJW-LLVKDONJSA-N 1 2 294.359 -1.111 20 0 CAADLO CC(=O)NCC(=O)NC[C@H]1CC[N@H+](Cc2ncnn2C)C1 ZINC001437692602 891189363 /nfs/dbraw/zinc/18/93/63/891189363.db2.gz BEPKZTABTSJAJW-LLVKDONJSA-N 1 2 294.359 -1.111 20 0 CAADLO C[C@]1(C(=O)NC[C@H]2CCC[N@@H+]2CC(N)=O)CCNC(=O)C1 ZINC001437678701 891189892 /nfs/dbraw/zinc/18/98/92/891189892.db2.gz KLPKOAHFUMMBRV-YGRLFVJLSA-N 1 2 296.371 -1.031 20 0 CAADLO C[C@]1(C(=O)NC[C@H]2CCC[N@H+]2CC(N)=O)CCNC(=O)C1 ZINC001437678701 891189895 /nfs/dbraw/zinc/18/98/95/891189895.db2.gz KLPKOAHFUMMBRV-YGRLFVJLSA-N 1 2 296.371 -1.031 20 0 CAADLO O=C(Cc1nnc[nH]1)NCC[N@H+](C1CC1)[C@@H]1CCNC1=O ZINC001437812575 891192228 /nfs/dbraw/zinc/19/22/28/891192228.db2.gz BLHMELODECRCON-SNVBAGLBSA-N 1 2 292.343 -1.184 20 0 CAADLO O=C(Cc1nnc[nH]1)NCC[N@@H+](C1CC1)[C@@H]1CCNC1=O ZINC001437812575 891192236 /nfs/dbraw/zinc/19/22/36/891192236.db2.gz BLHMELODECRCON-SNVBAGLBSA-N 1 2 292.343 -1.184 20 0 CAADLO Cc1nnc(CC(=O)NCC[N@H+](CC(N)=O)C2CC2)[nH]1 ZINC001437786305 891192429 /nfs/dbraw/zinc/19/24/29/891192429.db2.gz SOJSFHJRALRBSG-UHFFFAOYSA-N 1 2 280.332 -1.278 20 0 CAADLO Cc1nnc(CC(=O)NCC[N@@H+](CC(N)=O)C2CC2)[nH]1 ZINC001437786305 891192443 /nfs/dbraw/zinc/19/24/43/891192443.db2.gz SOJSFHJRALRBSG-UHFFFAOYSA-N 1 2 280.332 -1.278 20 0 CAADLO COCC(=O)N(C)CC(=O)NC1C[NH+](CCCO)C1 ZINC001438048912 891199360 /nfs/dbraw/zinc/19/93/60/891199360.db2.gz PSDLIUBKPPPQBM-UHFFFAOYSA-N 1 2 273.333 -1.726 20 0 CAADLO CC(=O)N[C@@H](CC(=O)NC1C[NH+](CCCO)C1)C(N)=O ZINC001438073733 891202722 /nfs/dbraw/zinc/20/27/22/891202722.db2.gz CZCHPNRHERTICI-JTQLQIEISA-N 1 2 286.332 -2.451 20 0 CAADLO COC[C@H](O)C[NH+]1CC(NC(=O)c2cnc(OC)nc2)C1 ZINC001438079112 891203512 /nfs/dbraw/zinc/20/35/12/891203512.db2.gz DWOMILPRXGUPDT-LLVKDONJSA-N 1 2 296.327 -1.094 20 0 CAADLO COC[C@H](O)C[NH+]1CC(NC(=O)C[C@H]2CCC(=O)NC2)C1 ZINC001438054232 891203622 /nfs/dbraw/zinc/20/36/22/891203622.db2.gz OGZIITJDIYEPRQ-ZYHUDNBSSA-N 1 2 299.371 -1.290 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(NC(=O)c2cn(C)c(=O)[nH]2)C1 ZINC001438077601 891203708 /nfs/dbraw/zinc/20/37/08/891203708.db2.gz QJSRCQBYCPFNEX-VIFPVBQESA-N 1 2 284.316 -1.453 20 0 CAADLO COC[C@H](O)C[NH+]1CC(NC(=O)[C@H]2CCNC(=O)CC2)C1 ZINC001438066679 891203967 /nfs/dbraw/zinc/20/39/67/891203967.db2.gz LLTFQTFHSQKZHX-ZYHUDNBSSA-N 1 2 299.371 -1.290 20 0 CAADLO CC[C@@H](C[NH+]1CC(NC(=O)CS(=O)(=O)NC)C1)OC ZINC001438099944 891204807 /nfs/dbraw/zinc/20/48/07/891204807.db2.gz OXRSHSXURLKGHV-JTQLQIEISA-N 1 2 293.389 -1.239 20 0 CAADLO CNC(=O)C[NH+]1CC(CNC(=O)[C@H](C)[C@@H]2CCC(=O)N2)C1 ZINC001438145961 891205009 /nfs/dbraw/zinc/20/50/09/891205009.db2.gz RQCKEOYGHTZJBH-KOLCDFICSA-N 1 2 296.371 -1.305 20 0 CAADLO CNC(=O)C[NH+]1CC(CNC(=O)CNC(=O)NC)C1 ZINC001438117845 891205158 /nfs/dbraw/zinc/20/51/58/891205158.db2.gz AHHGOKYSRZVUHB-UHFFFAOYSA-N 1 2 271.321 -2.291 20 0 CAADLO C[C@@H](C(N)=O)[NH+]1CC(CNC(=O)C[C@H]2COC(=O)C2)C1 ZINC001438116216 891205498 /nfs/dbraw/zinc/20/54/98/891205498.db2.gz WTHVLQYHOJMLFT-DTWKUNHWSA-N 1 2 283.328 -1.139 20 0 CAADLO NC(=O)C[NH+]1CC(CNC(=O)C[C@@H]2CCC(=O)NC2)C1 ZINC001438119766 891206134 /nfs/dbraw/zinc/20/61/34/891206134.db2.gz OAHGUYFVPAQRDK-VIFPVBQESA-N 1 2 282.344 -1.564 20 0 CAADLO C[C@H](C(=O)NCC1C[NH+]([C@@H]2CCNC2=O)C1)n1cncn1 ZINC001438109492 891206335 /nfs/dbraw/zinc/20/63/35/891206335.db2.gz CTHLZRXYUNPWTH-MWLCHTKSSA-N 1 2 292.343 -1.224 20 0 CAADLO C[C@@H](C(=O)NCC1C[NH+]([C@H]2CCNC2=O)C1)n1cncn1 ZINC001438109493 891206563 /nfs/dbraw/zinc/20/65/63/891206563.db2.gz CTHLZRXYUNPWTH-ONGXEEELSA-N 1 2 292.343 -1.224 20 0 CAADLO CCCNC(=O)C[NH+]1CC(CNC(=O)CNC(C)=O)C1 ZINC001438114888 891206743 /nfs/dbraw/zinc/20/67/43/891206743.db2.gz QNMPMNYPAVTZKD-UHFFFAOYSA-N 1 2 284.360 -1.303 20 0 CAADLO CCCNC(=O)C[NH+]1CC(CNC(=O)[C@H](C)NC(N)=O)C1 ZINC001438109502 891207141 /nfs/dbraw/zinc/20/71/41/891207141.db2.gz CZANKKXHXMURGQ-VIFPVBQESA-N 1 2 299.375 -1.383 20 0 CAADLO C[C@@H](C(N)=O)[NH+]1CC(CNC(=O)C[C@@H]2CCC(=O)NC2)C1 ZINC001438117641 891207276 /nfs/dbraw/zinc/20/72/76/891207276.db2.gz DTPGRBOHRBFPEY-UWVGGRQHSA-N 1 2 296.371 -1.176 20 0 CAADLO C[C@@H](C(N)=O)[NH+]1CC(CNC(=O)C[C@@H]2COC(=O)C2)C1 ZINC001438116218 891207610 /nfs/dbraw/zinc/20/76/10/891207610.db2.gz WTHVLQYHOJMLFT-IUCAKERBSA-N 1 2 283.328 -1.139 20 0 CAADLO Cn1cc(C(=O)NCC2C[NH+](CC(=O)NC(N)=O)C2)cn1 ZINC001438104246 891207637 /nfs/dbraw/zinc/20/76/37/891207637.db2.gz HRPOYWAPTZAKCL-UHFFFAOYSA-N 1 2 294.315 -1.723 20 0 CAADLO C[C@@H](C(N)=O)[NH+]1CC(CNC(=O)CN2CCCNC2=O)C1 ZINC001438127611 891207810 /nfs/dbraw/zinc/20/78/10/891207810.db2.gz MWKYJWZPOZRUSQ-VIFPVBQESA-N 1 2 297.359 -1.677 20 0 CAADLO CNC(=O)C[NH+]1CC(CNC(=O)CC2OCCCO2)C1 ZINC001438113223 891207919 /nfs/dbraw/zinc/20/79/19/891207919.db2.gz TVDYUFRVRWFFSZ-UHFFFAOYSA-N 1 2 285.344 -1.067 20 0 CAADLO C[C@H](C(N)=O)[NH+]1CC(CNC(=O)C[C@@H]2COC(=O)C2)C1 ZINC001438116214 891208385 /nfs/dbraw/zinc/20/83/85/891208385.db2.gz WTHVLQYHOJMLFT-BDAKNGLRSA-N 1 2 283.328 -1.139 20 0 CAADLO NC(=O)NC(=O)C[NH+]1CC(CNC(=O)c2ccsn2)C1 ZINC001438126863 891208748 /nfs/dbraw/zinc/20/87/48/891208748.db2.gz HWHNHEQVSBBMSV-UHFFFAOYSA-N 1 2 297.340 -1.000 20 0 CAADLO CNC(=O)C[NH+]1CC(CNC(=O)[C@]2(F)CCOC2)C1 ZINC001438133316 891208847 /nfs/dbraw/zinc/20/88/47/891208847.db2.gz IYKCADQMFCSBME-LBPRGKRZSA-N 1 2 273.308 -1.091 20 0 CAADLO CNC(=O)C[NH+]1CC(CNC(=O)[C@H](C)[C@H]2CCC(=O)N2)C1 ZINC001438145963 891208879 /nfs/dbraw/zinc/20/88/79/891208879.db2.gz RQCKEOYGHTZJBH-MWLCHTKSSA-N 1 2 296.371 -1.305 20 0 CAADLO CC(=O)N[C@H]1CC[N@H+](CC(=O)NCC(=O)N2CCCC2)C1 ZINC001438177549 891211477 /nfs/dbraw/zinc/21/14/77/891211477.db2.gz AUUJIVQYCMWLEI-LBPRGKRZSA-N 1 2 296.371 -1.065 20 0 CAADLO CC(=O)N[C@H]1CC[N@@H+](CC(=O)NCC(=O)N2CCCC2)C1 ZINC001438177549 891211491 /nfs/dbraw/zinc/21/14/91/891211491.db2.gz AUUJIVQYCMWLEI-LBPRGKRZSA-N 1 2 296.371 -1.065 20 0 CAADLO C[C@@H](C(N)=O)[NH+]1CC(CNC(=O)CCN2CCCC2=O)C1 ZINC001438164963 891211695 /nfs/dbraw/zinc/21/16/95/891211695.db2.gz XLBHKRGZEKSEDM-JTQLQIEISA-N 1 2 296.371 -1.079 20 0 CAADLO CCN(C(=O)CNC(=O)NC)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001438265451 891212738 /nfs/dbraw/zinc/21/27/38/891212738.db2.gz MGPRBKAZBDYFOL-VIFPVBQESA-N 1 2 285.348 -1.677 20 0 CAADLO CCN(C(=O)CNC(=O)NC)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001438265451 891212729 /nfs/dbraw/zinc/21/27/29/891212729.db2.gz MGPRBKAZBDYFOL-VIFPVBQESA-N 1 2 285.348 -1.677 20 0 CAADLO CNS(=O)(=O)CCC(=O)N[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001438184021 891213123 /nfs/dbraw/zinc/21/31/23/891213123.db2.gz FVNQYMSQLSFNII-QMMMGPOBSA-N 1 2 292.361 -2.399 20 0 CAADLO CNS(=O)(=O)CCC(=O)N[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001438184021 891213139 /nfs/dbraw/zinc/21/31/39/891213139.db2.gz FVNQYMSQLSFNII-QMMMGPOBSA-N 1 2 292.361 -2.399 20 0 CAADLO CN(C)C(=O)C[NH+]1CC(CNC(=O)CCNC(N)=O)C1 ZINC001438165675 891213911 /nfs/dbraw/zinc/21/39/11/891213911.db2.gz YLWYLFTUKUZYEK-UHFFFAOYSA-N 1 2 285.348 -1.819 20 0 CAADLO CN(C)C(=O)C[NH+]1CC(CNC(=O)Cc2nc[nH]n2)C1 ZINC001438158740 891214103 /nfs/dbraw/zinc/21/41/03/891214103.db2.gz KSLNCAKJTXPMJM-UHFFFAOYSA-N 1 2 280.332 -1.517 20 0 CAADLO CC[C@H](CNC(=O)[C@@H]1CCC(=O)N1)[NH2+]Cc1nnn(C)n1 ZINC001438377190 891215045 /nfs/dbraw/zinc/21/50/45/891215045.db2.gz MUTNIUDNLCHANV-BDAKNGLRSA-N 1 2 295.347 -1.527 20 0 CAADLO Cc1nnc(CC(=O)NC[C@H]2C[N@H+](CCCO)CCO2)[nH]1 ZINC001438567915 891223087 /nfs/dbraw/zinc/22/30/87/891223087.db2.gz ODKPENVLOJERRP-NSHDSACASA-N 1 2 297.359 -1.145 20 0 CAADLO Cc1nnc(CC(=O)NC[C@H]2C[N@@H+](CCCO)CCO2)[nH]1 ZINC001438567915 891223102 /nfs/dbraw/zinc/22/31/02/891223102.db2.gz ODKPENVLOJERRP-NSHDSACASA-N 1 2 297.359 -1.145 20 0 CAADLO C[C@@]1(C(=O)NC[C@@H]2C[N@H+](CCO)CCO2)CCC(=O)NC1 ZINC001438574383 891223399 /nfs/dbraw/zinc/22/33/99/891223399.db2.gz HEYRXSKDIDFAFP-BXUZGUMPSA-N 1 2 299.371 -1.288 20 0 CAADLO C[C@@]1(C(=O)NC[C@@H]2C[N@@H+](CCO)CCO2)CCC(=O)NC1 ZINC001438574383 891223419 /nfs/dbraw/zinc/22/34/19/891223419.db2.gz HEYRXSKDIDFAFP-BXUZGUMPSA-N 1 2 299.371 -1.288 20 0 CAADLO COC[C@@H](O)C[N@@H+]1CCO[C@@H](CNC(=O)[C@@H](C)OC)C1 ZINC001438559587 891223537 /nfs/dbraw/zinc/22/35/37/891223537.db2.gz LUVMPUULEGIQGS-WOPDTQHZSA-N 1 2 290.360 -1.154 20 0 CAADLO COC[C@@H](O)C[N@H+]1CCO[C@@H](CNC(=O)[C@@H](C)OC)C1 ZINC001438559587 891223552 /nfs/dbraw/zinc/22/35/52/891223552.db2.gz LUVMPUULEGIQGS-WOPDTQHZSA-N 1 2 290.360 -1.154 20 0 CAADLO CCC(=O)NCC(=O)N1CCC2(C[NH+](CC(N)=O)C2)CC1 ZINC001438616615 891224042 /nfs/dbraw/zinc/22/40/42/891224042.db2.gz IAHKZDQWWHMIBZ-UHFFFAOYSA-N 1 2 296.371 -1.078 20 0 CAADLO COC[C@@H](O)C[N@@H+]1CCO[C@H](CNC(=O)[C@@H](C)OC)C1 ZINC001438559570 891227013 /nfs/dbraw/zinc/22/70/13/891227013.db2.gz LUVMPUULEGIQGS-GRYCIOLGSA-N 1 2 290.360 -1.154 20 0 CAADLO COC[C@@H](O)C[N@H+]1CCO[C@H](CNC(=O)[C@@H](C)OC)C1 ZINC001438559570 891227030 /nfs/dbraw/zinc/22/70/30/891227030.db2.gz LUVMPUULEGIQGS-GRYCIOLGSA-N 1 2 290.360 -1.154 20 0 CAADLO CN(CC[N@H+](C)CC(N)=O)C(=O)[C@H]1CCCC(=O)N1 ZINC001438887740 891232713 /nfs/dbraw/zinc/23/27/13/891232713.db2.gz PVBYXAASUSHPAV-SECBINFHSA-N 1 2 270.333 -1.469 20 0 CAADLO CN(CC[N@@H+](C)CC(N)=O)C(=O)[C@H]1CCCC(=O)N1 ZINC001438887740 891232729 /nfs/dbraw/zinc/23/27/29/891232729.db2.gz PVBYXAASUSHPAV-SECBINFHSA-N 1 2 270.333 -1.469 20 0 CAADLO C[C@H](NC(N)=O)C(=O)N(C)CC[N@H+](C)CC(=O)NC1CC1 ZINC001438865132 891232933 /nfs/dbraw/zinc/23/29/33/891232933.db2.gz KNBNUUAHNZZKMW-VIFPVBQESA-N 1 2 299.375 -1.288 20 0 CAADLO C[C@H](NC(N)=O)C(=O)N(C)CC[N@@H+](C)CC(=O)NC1CC1 ZINC001438865132 891232948 /nfs/dbraw/zinc/23/29/48/891232948.db2.gz KNBNUUAHNZZKMW-VIFPVBQESA-N 1 2 299.375 -1.288 20 0 CAADLO CNC(=O)C[N@H+](C)CCN(C)C(=O)[C@H]1CC(=O)N(C)C1 ZINC001438874964 891233037 /nfs/dbraw/zinc/23/30/37/891233037.db2.gz UNRCSLURWCKQMJ-JTQLQIEISA-N 1 2 284.360 -1.399 20 0 CAADLO CNC(=O)C[N@@H+](C)CCN(C)C(=O)[C@H]1CC(=O)N(C)C1 ZINC001438874964 891233050 /nfs/dbraw/zinc/23/30/50/891233050.db2.gz UNRCSLURWCKQMJ-JTQLQIEISA-N 1 2 284.360 -1.399 20 0 CAADLO CN(CC[N@H+](C)CC(N)=O)C(=O)CN1CCC(=O)NC1=O ZINC001438923465 891233249 /nfs/dbraw/zinc/23/32/49/891233249.db2.gz QFSLGLYCUSIAEY-UHFFFAOYSA-N 1 2 299.331 -2.196 20 0 CAADLO CN(CC[N@@H+](C)CC(N)=O)C(=O)CN1CCC(=O)NC1=O ZINC001438923465 891233267 /nfs/dbraw/zinc/23/32/67/891233267.db2.gz QFSLGLYCUSIAEY-UHFFFAOYSA-N 1 2 299.331 -2.196 20 0 CAADLO CO[C@@H](C(=O)N(C)CC[N@H+](C)CC(N)=O)[C@H]1CCOC1 ZINC001438891566 891233850 /nfs/dbraw/zinc/23/38/50/891233850.db2.gz CRICRQURNZTSNM-CMPLNLGQSA-N 1 2 287.360 -1.087 20 0 CAADLO CO[C@@H](C(=O)N(C)CC[N@@H+](C)CC(N)=O)[C@H]1CCOC1 ZINC001438891566 891233866 /nfs/dbraw/zinc/23/38/66/891233866.db2.gz CRICRQURNZTSNM-CMPLNLGQSA-N 1 2 287.360 -1.087 20 0 CAADLO COC(=O)[C@H]1C[C@@H]1C(=O)N(C)CC[N@H+](C)CC(N)=O ZINC001438861548 891235244 /nfs/dbraw/zinc/23/52/44/891235244.db2.gz MQZRAFXZRRHYLX-IUCAKERBSA-N 1 2 271.317 -1.329 20 0 CAADLO COC(=O)[C@H]1C[C@@H]1C(=O)N(C)CC[N@@H+](C)CC(N)=O ZINC001438861548 891235261 /nfs/dbraw/zinc/23/52/61/891235261.db2.gz MQZRAFXZRRHYLX-IUCAKERBSA-N 1 2 271.317 -1.329 20 0 CAADLO CN(CC[N@H+](C)CC(N)=O)C(=O)c1ccc(C(N)=O)o1 ZINC001438895108 891235641 /nfs/dbraw/zinc/23/56/41/891235641.db2.gz PKAHLCGRTKKHJR-UHFFFAOYSA-N 1 2 282.300 -1.132 20 0 CAADLO CN(CC[N@@H+](C)CC(N)=O)C(=O)c1ccc(C(N)=O)o1 ZINC001438895108 891235657 /nfs/dbraw/zinc/23/56/57/891235657.db2.gz PKAHLCGRTKKHJR-UHFFFAOYSA-N 1 2 282.300 -1.132 20 0 CAADLO CC[C@@H](NC(C)=O)C(=O)N(C)CC[N@H+](C)CC(N)=O ZINC001438916073 891235685 /nfs/dbraw/zinc/23/56/85/891235685.db2.gz AFDVEALPZNLYIL-SNVBAGLBSA-N 1 2 272.349 -1.223 20 0 CAADLO CC[C@@H](NC(C)=O)C(=O)N(C)CC[N@@H+](C)CC(N)=O ZINC001438916073 891235699 /nfs/dbraw/zinc/23/56/99/891235699.db2.gz AFDVEALPZNLYIL-SNVBAGLBSA-N 1 2 272.349 -1.223 20 0 CAADLO CNC(=O)C[N@H+](C)CCN(C)C(=O)[C@@H]1CC(=O)N(C)C1 ZINC001438874968 891235862 /nfs/dbraw/zinc/23/58/62/891235862.db2.gz UNRCSLURWCKQMJ-SNVBAGLBSA-N 1 2 284.360 -1.399 20 0 CAADLO CNC(=O)C[N@@H+](C)CCN(C)C(=O)[C@@H]1CC(=O)N(C)C1 ZINC001438874968 891235878 /nfs/dbraw/zinc/23/58/78/891235878.db2.gz UNRCSLURWCKQMJ-SNVBAGLBSA-N 1 2 284.360 -1.399 20 0 CAADLO CO[C@@H](C(=O)N(C)CC[N@H+](C)CC(N)=O)[C@@H]1CCOC1 ZINC001438891579 891235989 /nfs/dbraw/zinc/23/59/89/891235989.db2.gz CRICRQURNZTSNM-ZYHUDNBSSA-N 1 2 287.360 -1.087 20 0 CAADLO CO[C@@H](C(=O)N(C)CC[N@@H+](C)CC(N)=O)[C@@H]1CCOC1 ZINC001438891579 891236006 /nfs/dbraw/zinc/23/60/06/891236006.db2.gz CRICRQURNZTSNM-ZYHUDNBSSA-N 1 2 287.360 -1.087 20 0 CAADLO CN(CC[N@H+](C)CC(N)=O)C(=O)c1cccc(=O)n1C ZINC001438913253 891236974 /nfs/dbraw/zinc/23/69/74/891236974.db2.gz OULQXDOOMFDZOZ-UHFFFAOYSA-N 1 2 280.328 -1.126 20 0 CAADLO CN(CC[N@@H+](C)CC(N)=O)C(=O)c1cccc(=O)n1C ZINC001438913253 891236987 /nfs/dbraw/zinc/23/69/87/891236987.db2.gz OULQXDOOMFDZOZ-UHFFFAOYSA-N 1 2 280.328 -1.126 20 0 CAADLO COC(=O)[C@@H]1C[C@@H]1C(=O)N(C)CC[N@H+](C)CC(N)=O ZINC001438861542 891238043 /nfs/dbraw/zinc/23/80/43/891238043.db2.gz MQZRAFXZRRHYLX-DTWKUNHWSA-N 1 2 271.317 -1.329 20 0 CAADLO COC(=O)[C@@H]1C[C@@H]1C(=O)N(C)CC[N@@H+](C)CC(N)=O ZINC001438861542 891238060 /nfs/dbraw/zinc/23/80/60/891238060.db2.gz MQZRAFXZRRHYLX-DTWKUNHWSA-N 1 2 271.317 -1.329 20 0 CAADLO CN(CC[N@H+](C)CC(=O)NC1CC1)C(=O)CCNC(N)=O ZINC001438936062 891239776 /nfs/dbraw/zinc/23/97/76/891239776.db2.gz LUXWSOQJWRELDW-UHFFFAOYSA-N 1 2 299.375 -1.286 20 0 CAADLO CN(CC[N@@H+](C)CC(=O)NC1CC1)C(=O)CCNC(N)=O ZINC001438936062 891239781 /nfs/dbraw/zinc/23/97/81/891239781.db2.gz LUXWSOQJWRELDW-UHFFFAOYSA-N 1 2 299.375 -1.286 20 0 CAADLO CN(CC[N@H+](C)CC(N)=O)C(=O)C[C@@H]1CCC(=O)N1 ZINC001438924110 891240048 /nfs/dbraw/zinc/24/00/48/891240048.db2.gz RJSAKVZJDHBRQJ-VIFPVBQESA-N 1 2 270.333 -1.469 20 0 CAADLO CN(CC[N@@H+](C)CC(N)=O)C(=O)C[C@@H]1CCC(=O)N1 ZINC001438924110 891240062 /nfs/dbraw/zinc/24/00/62/891240062.db2.gz RJSAKVZJDHBRQJ-VIFPVBQESA-N 1 2 270.333 -1.469 20 0 CAADLO CN(CC[N@H+](C)CC(N)=O)C(=O)c1cccc(C(N)=O)n1 ZINC001438939316 891240277 /nfs/dbraw/zinc/24/02/77/891240277.db2.gz DECKLAPSPQYHEP-UHFFFAOYSA-N 1 2 293.327 -1.330 20 0 CAADLO CN(CC[N@@H+](C)CC(N)=O)C(=O)c1cccc(C(N)=O)n1 ZINC001438939316 891240288 /nfs/dbraw/zinc/24/02/88/891240288.db2.gz DECKLAPSPQYHEP-UHFFFAOYSA-N 1 2 293.327 -1.330 20 0 CAADLO O=C(CCc1nnc[nH]1)NC[C@@H](O)C[NH2+]Cc1ccon1 ZINC001438978871 891250740 /nfs/dbraw/zinc/25/07/40/891250740.db2.gz HJALWIYCLPJUNQ-JTQLQIEISA-N 1 2 294.315 -1.008 20 0 CAADLO Cc1nnc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2CCOC2)o1 ZINC001438973853 891252511 /nfs/dbraw/zinc/25/25/11/891252511.db2.gz VLOXICZSOWAQSA-NXEZZACHSA-N 1 2 284.316 -1.019 20 0 CAADLO Cn1cnc(C(=O)NC[C@@H](O)C[NH2+]Cc2cnsn2)n1 ZINC001438987085 891254209 /nfs/dbraw/zinc/25/42/09/891254209.db2.gz URHNZEBNKRJAMF-QMMMGPOBSA-N 1 2 297.344 -1.453 20 0 CAADLO Cc1noc(C[NH2+]C[C@@H](O)CNC(=O)c2cn(C)nn2)n1 ZINC001438981157 891254711 /nfs/dbraw/zinc/25/47/11/891254711.db2.gz IVMRNUQDWZYMKS-MRVPVSSYSA-N 1 2 295.303 -1.613 20 0 CAADLO CCC(=O)NCC(=O)NC[C@H](O)C[NH2+]Cc1nc(C)no1 ZINC001438980988 891256971 /nfs/dbraw/zinc/25/69/71/891256971.db2.gz ISIDTEVSAFIBAA-SECBINFHSA-N 1 2 299.331 -1.529 20 0 CAADLO O=C(Cc1nc[nH]n1)NC[C@@H](O)C[NH2+]Cc1ncccn1 ZINC001439036619 891276195 /nfs/dbraw/zinc/27/61/95/891276195.db2.gz FWJBDBSHOPMHGE-VIFPVBQESA-N 1 2 291.315 -1.596 20 0 CAADLO C[C@@H](C[N@H+](C)[C@H]1CCNC1=O)NC(=O)Cc1nnc[nH]1 ZINC001439385433 891305699 /nfs/dbraw/zinc/30/56/99/891305699.db2.gz BZISOPJLEDFEEI-IUCAKERBSA-N 1 2 280.332 -1.328 20 0 CAADLO C[C@@H](C[N@@H+](C)[C@H]1CCNC1=O)NC(=O)Cc1nnc[nH]1 ZINC001439385433 891305713 /nfs/dbraw/zinc/30/57/13/891305713.db2.gz BZISOPJLEDFEEI-IUCAKERBSA-N 1 2 280.332 -1.328 20 0 CAADLO CN(C)C(=O)C[N@@H+]1CC[C@@H]1CNC(=O)CCn1cncn1 ZINC001439509248 891307263 /nfs/dbraw/zinc/30/72/63/891307263.db2.gz USOLHLBRGGVSME-LLVKDONJSA-N 1 2 294.359 -1.053 20 0 CAADLO CN(C)C(=O)C[N@H+]1CC[C@@H]1CNC(=O)CCn1cncn1 ZINC001439509248 891307278 /nfs/dbraw/zinc/30/72/78/891307278.db2.gz USOLHLBRGGVSME-LLVKDONJSA-N 1 2 294.359 -1.053 20 0 CAADLO CC[C@@H](C(N)=O)[N@@H+]1CC[C@H]1CNC(=O)Cn1cnnn1 ZINC001439512949 891307766 /nfs/dbraw/zinc/30/77/66/891307766.db2.gz JEDXJFSHMNZDDG-IUCAKERBSA-N 1 2 281.320 -1.873 20 0 CAADLO CC[C@@H](C(N)=O)[N@H+]1CC[C@H]1CNC(=O)Cn1cnnn1 ZINC001439512949 891307785 /nfs/dbraw/zinc/30/77/85/891307785.db2.gz JEDXJFSHMNZDDG-IUCAKERBSA-N 1 2 281.320 -1.873 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+]1CC[C@@H]1CNC(=O)Cn1ncnn1 ZINC001439524429 891308157 /nfs/dbraw/zinc/30/81/57/891308157.db2.gz MQQDNGXYWAWIHR-DTWKUNHWSA-N 1 2 281.320 -2.002 20 0 CAADLO CNC(=O)[C@H](C)[N@H+]1CC[C@@H]1CNC(=O)Cn1ncnn1 ZINC001439524429 891308175 /nfs/dbraw/zinc/30/81/75/891308175.db2.gz MQQDNGXYWAWIHR-DTWKUNHWSA-N 1 2 281.320 -2.002 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+]1CC[C@H]1CNC(=O)Cn1ncnn1 ZINC001439524431 891308439 /nfs/dbraw/zinc/30/84/39/891308439.db2.gz MQQDNGXYWAWIHR-IUCAKERBSA-N 1 2 281.320 -2.002 20 0 CAADLO CNC(=O)[C@H](C)[N@H+]1CC[C@H]1CNC(=O)Cn1ncnn1 ZINC001439524431 891308456 /nfs/dbraw/zinc/30/84/56/891308456.db2.gz MQQDNGXYWAWIHR-IUCAKERBSA-N 1 2 281.320 -2.002 20 0 CAADLO CNC(=O)NCC(=O)NC[C@H]1CC[N@@H+]1[C@@H](C)C(=O)NC ZINC001439531852 891308616 /nfs/dbraw/zinc/30/86/16/891308616.db2.gz CENYPTXEDRURLG-DTWKUNHWSA-N 1 2 285.348 -1.760 20 0 CAADLO CNC(=O)NCC(=O)NC[C@H]1CC[N@H+]1[C@@H](C)C(=O)NC ZINC001439531852 891308628 /nfs/dbraw/zinc/30/86/28/891308628.db2.gz CENYPTXEDRURLG-DTWKUNHWSA-N 1 2 285.348 -1.760 20 0 CAADLO CNC(=O)NCC(=O)NC[C@H]1CC[N@@H+]1[C@H](C)C(=O)NC ZINC001439531864 891309922 /nfs/dbraw/zinc/30/99/22/891309922.db2.gz CENYPTXEDRURLG-RKDXNWHRSA-N 1 2 285.348 -1.760 20 0 CAADLO CNC(=O)NCC(=O)NC[C@H]1CC[N@H+]1[C@H](C)C(=O)NC ZINC001439531864 891309939 /nfs/dbraw/zinc/30/99/39/891309939.db2.gz CENYPTXEDRURLG-RKDXNWHRSA-N 1 2 285.348 -1.760 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+]1CC[C@@H]1CNC(=O)CCn1cnnn1 ZINC001439556281 891311194 /nfs/dbraw/zinc/31/11/94/891311194.db2.gz CHYUAXPCISCSLN-NXEZZACHSA-N 1 2 295.347 -1.612 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+]1CC[C@@H]1CNC(=O)CCn1cnnn1 ZINC001439556281 891311208 /nfs/dbraw/zinc/31/12/08/891311208.db2.gz CHYUAXPCISCSLN-NXEZZACHSA-N 1 2 295.347 -1.612 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+]1CC[C@H]1CNC(=O)CCn1cnnn1 ZINC001439556286 891311859 /nfs/dbraw/zinc/31/18/59/891311859.db2.gz CHYUAXPCISCSLN-ZJUUUORDSA-N 1 2 295.347 -1.612 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+]1CC[C@H]1CNC(=O)CCn1cnnn1 ZINC001439556286 891311876 /nfs/dbraw/zinc/31/18/76/891311876.db2.gz CHYUAXPCISCSLN-ZJUUUORDSA-N 1 2 295.347 -1.612 20 0 CAADLO Cn1ncc(C[NH2+]C2(CNC(=O)[C@@H]3COC(=O)N3)CC2)n1 ZINC001439603756 891312133 /nfs/dbraw/zinc/31/21/33/891312133.db2.gz ZWCKYUQMMPVZPD-VIFPVBQESA-N 1 2 294.315 -1.338 20 0 CAADLO CN1CC[C@@H]([N@@H+]2CC[C@H]2CNC(=O)CCNC(N)=O)C1=O ZINC001439563906 891312877 /nfs/dbraw/zinc/31/28/77/891312877.db2.gz GTLXHRAHUZHAMN-VHSXEESVSA-N 1 2 297.359 -1.534 20 0 CAADLO CN1CC[C@@H]([N@H+]2CC[C@H]2CNC(=O)CCNC(N)=O)C1=O ZINC001439563906 891312892 /nfs/dbraw/zinc/31/28/92/891312892.db2.gz GTLXHRAHUZHAMN-VHSXEESVSA-N 1 2 297.359 -1.534 20 0 CAADLO CN1CC[C@H]([N@@H+]2CC[C@H]2CNC(=O)CCNC(N)=O)C1=O ZINC001439563905 891312968 /nfs/dbraw/zinc/31/29/68/891312968.db2.gz GTLXHRAHUZHAMN-UWVGGRQHSA-N 1 2 297.359 -1.534 20 0 CAADLO CN1CC[C@H]([N@H+]2CC[C@H]2CNC(=O)CCNC(N)=O)C1=O ZINC001439563905 891312984 /nfs/dbraw/zinc/31/29/84/891312984.db2.gz GTLXHRAHUZHAMN-UWVGGRQHSA-N 1 2 297.359 -1.534 20 0 CAADLO Cn1ncnc1C[NH2+]C1(CNC(=O)[C@H]2CCC(=O)N2)CC1 ZINC001439592299 891313574 /nfs/dbraw/zinc/31/35/74/891313574.db2.gz FOKPZWMEHWNXML-SECBINFHSA-N 1 2 292.343 -1.168 20 0 CAADLO CC[C@H](C(N)=O)[N@@H+]1CC[C@@H]1CNC(=O)CCNC(N)=O ZINC001439571586 891313606 /nfs/dbraw/zinc/31/36/06/891313606.db2.gz WBGVNRRPBMUEJI-RKDXNWHRSA-N 1 2 285.348 -1.501 20 0 CAADLO CC[C@H](C(N)=O)[N@H+]1CC[C@@H]1CNC(=O)CCNC(N)=O ZINC001439571586 891313624 /nfs/dbraw/zinc/31/36/24/891313624.db2.gz WBGVNRRPBMUEJI-RKDXNWHRSA-N 1 2 285.348 -1.501 20 0 CAADLO Cn1ncc(C[NH2+]C2(CNC(=O)[C@H]3COC(=O)N3)CC2)n1 ZINC001439603755 891315893 /nfs/dbraw/zinc/31/58/93/891315893.db2.gz ZWCKYUQMMPVZPD-SECBINFHSA-N 1 2 294.315 -1.338 20 0 CAADLO CN1CC[C@H]([N@@H+]2CC[C@@H]2CNC(=O)CCNC(N)=O)C1=O ZINC001439563908 891316060 /nfs/dbraw/zinc/31/60/60/891316060.db2.gz GTLXHRAHUZHAMN-ZJUUUORDSA-N 1 2 297.359 -1.534 20 0 CAADLO CN1CC[C@H]([N@H+]2CC[C@@H]2CNC(=O)CCNC(N)=O)C1=O ZINC001439563908 891316080 /nfs/dbraw/zinc/31/60/80/891316080.db2.gz GTLXHRAHUZHAMN-ZJUUUORDSA-N 1 2 297.359 -1.534 20 0 CAADLO Cn1cnnc1C[NH2+]C1(CNC(=O)[C@@H]2CCC(=O)N2)CC1 ZINC001439668031 891316392 /nfs/dbraw/zinc/31/63/92/891316392.db2.gz UBQIAVXNMCYKGC-VIFPVBQESA-N 1 2 292.343 -1.168 20 0 CAADLO Cn1ncc(C[NH2+]C2(CNC(=O)Cn3cncn3)CC2)n1 ZINC001439676978 891316976 /nfs/dbraw/zinc/31/69/76/891316976.db2.gz VGQGADGCDFQGHL-UHFFFAOYSA-N 1 2 290.331 -1.155 20 0 CAADLO C[C@H]([NH2+]C1(CNC(=O)CCc2cnn[nH]2)CC1)C(N)=O ZINC001439648209 891319246 /nfs/dbraw/zinc/31/92/46/891319246.db2.gz YGSYSXJXALRNST-QMMMGPOBSA-N 1 2 280.332 -1.151 20 0 CAADLO COC[C@H](O)C[NH+]1CC(N(C)C(=O)[C@@H](C)n2cncn2)C1 ZINC001439717352 891319413 /nfs/dbraw/zinc/31/94/13/891319413.db2.gz QUDVHQDKFQDQRL-ZYHUDNBSSA-N 1 2 297.359 -1.011 20 0 CAADLO C[C@@H](CC(N)=O)C(=O)NCC1([NH2+]Cc2nnnn2C)CC1 ZINC001439632943 891319841 /nfs/dbraw/zinc/31/98/41/891319841.db2.gz CEHHOJFATJXIKP-QMMMGPOBSA-N 1 2 295.347 -1.540 20 0 CAADLO CNS(=O)(=O)CC(=O)N(C)C1C[NH+]([C@@H](C)COC)C1 ZINC001439754291 891321950 /nfs/dbraw/zinc/32/19/50/891321950.db2.gz DIVNHBFYXCCFIS-VIFPVBQESA-N 1 2 293.389 -1.287 20 0 CAADLO C[C@H](O)C[N@@H+]1CC[C@](C)(NC(=O)CS(C)(=O)=O)C1 ZINC001439832253 891322116 /nfs/dbraw/zinc/32/21/16/891322116.db2.gz LGCMHPPDTFVUMD-ONGXEEELSA-N 1 2 278.374 -1.008 20 0 CAADLO C[C@H](O)C[N@H+]1CC[C@](C)(NC(=O)CS(C)(=O)=O)C1 ZINC001439832253 891322132 /nfs/dbraw/zinc/32/21/32/891322132.db2.gz LGCMHPPDTFVUMD-ONGXEEELSA-N 1 2 278.374 -1.008 20 0 CAADLO C[C@@H](O)C[N@@H+]1CC[C@](C)(NC(=O)CS(C)(=O)=O)C1 ZINC001439832239 891323696 /nfs/dbraw/zinc/32/36/96/891323696.db2.gz LGCMHPPDTFVUMD-KOLCDFICSA-N 1 2 278.374 -1.008 20 0 CAADLO C[C@@H](O)C[N@H+]1CC[C@](C)(NC(=O)CS(C)(=O)=O)C1 ZINC001439832239 891323718 /nfs/dbraw/zinc/32/37/18/891323718.db2.gz LGCMHPPDTFVUMD-KOLCDFICSA-N 1 2 278.374 -1.008 20 0 CAADLO CCOCC(=O)NC[C@]1(O)CC[N@H+](Cc2cn(C)nn2)C1 ZINC001439981491 891337447 /nfs/dbraw/zinc/33/74/47/891337447.db2.gz VRHXXIIQCVWSRK-CYBMUJFWSA-N 1 2 297.359 -1.095 20 0 CAADLO CCOCC(=O)NC[C@]1(O)CC[N@@H+](Cc2cn(C)nn2)C1 ZINC001439981491 891337460 /nfs/dbraw/zinc/33/74/60/891337460.db2.gz VRHXXIIQCVWSRK-CYBMUJFWSA-N 1 2 297.359 -1.095 20 0 CAADLO CCC(=O)NC[C@]1(O)CC[N@H+](Cc2nc(=O)n(C)[nH]2)C1 ZINC001439978439 891338036 /nfs/dbraw/zinc/33/80/36/891338036.db2.gz OAYASQVLOBROLM-GFCCVEGCSA-N 1 2 283.332 -1.429 20 0 CAADLO CCC(=O)NC[C@]1(O)CC[N@@H+](Cc2nc(=O)n(C)[nH]2)C1 ZINC001439978439 891338051 /nfs/dbraw/zinc/33/80/51/891338051.db2.gz OAYASQVLOBROLM-GFCCVEGCSA-N 1 2 283.332 -1.429 20 0 CAADLO CC(=O)NCC(=O)NCC1(O)C[NH+](C[C@H]2CCCCO2)C1 ZINC001440031479 891339189 /nfs/dbraw/zinc/33/91/89/891339189.db2.gz NRNXLJHCVOCORZ-GFCCVEGCSA-N 1 2 299.371 -1.146 20 0 CAADLO CC(=O)N(C)CC(=O)NCC1(O)C[NH+](C[C@@H](C)O)C1 ZINC001440029651 891340303 /nfs/dbraw/zinc/34/03/03/891340303.db2.gz BGAORBRFVAOHCN-SECBINFHSA-N 1 2 273.333 -1.992 20 0 CAADLO CCNC(=O)CCC(=O)NCC1(O)C[NH+](C[C@H](C)O)C1 ZINC001440033236 891340870 /nfs/dbraw/zinc/34/08/70/891340870.db2.gz ARDZTVFZDQSLCY-JTQLQIEISA-N 1 2 287.360 -1.554 20 0 CAADLO Cc1cc(C(=O)NCC2(O)C[NH+](C[C@@H](C)O)C2)n(C)n1 ZINC001440032370 891342714 /nfs/dbraw/zinc/34/27/14/891342714.db2.gz AOOWAORVHZGQHM-SNVBAGLBSA-N 1 2 282.344 -1.114 20 0 CAADLO CO[C@@H](C)C[NH+]1CC(O)(CNC(=O)[C@H]2CCNC(=O)C2)C1 ZINC001440040508 891345860 /nfs/dbraw/zinc/34/58/60/891345860.db2.gz FLNROFXRXYMRSC-QWRGUYRKSA-N 1 2 299.371 -1.290 20 0 CAADLO Cc1ccc(C(=O)NCC2(O)C[NH+](C[C@H](C)O)C2)nn1 ZINC001440041599 891346193 /nfs/dbraw/zinc/34/61/93/891346193.db2.gz BEYIYWZCYRPZLH-JTQLQIEISA-N 1 2 280.328 -1.058 20 0 CAADLO COCC(=O)NCC1(O)C[NH+](C[C@@H]2CCc3ncnn32)C1 ZINC001440036634 891347321 /nfs/dbraw/zinc/34/73/21/891347321.db2.gz XGUPQGVTSKXJJY-JTQLQIEISA-N 1 2 295.343 -1.425 20 0 CAADLO CO[C@H](C)C[NH+]1CC(O)(CNC(=O)[C@@H]2CCNC(=O)C2)C1 ZINC001440040502 891347737 /nfs/dbraw/zinc/34/77/37/891347737.db2.gz FLNROFXRXYMRSC-GHMZBOCLSA-N 1 2 299.371 -1.290 20 0 CAADLO O=C(NCC1(O)C[NH+](CCCO)C1)c1cnc[nH]c1=O ZINC001440058139 891348384 /nfs/dbraw/zinc/34/83/84/891348384.db2.gz MTNRBBHHLMLPNU-UHFFFAOYSA-N 1 2 282.300 -1.659 20 0 CAADLO C[C@@H](O)C[NH+]1CC(O)(CNC(=O)[C@]23C[C@H]2COC3)C1 ZINC001440052854 891348452 /nfs/dbraw/zinc/34/84/52/891348452.db2.gz AFEJUTRLICYYNY-NRUUGDAUSA-N 1 2 270.329 -1.433 20 0 CAADLO C[C@H](O)C[NH+]1CC(O)(CNC(=O)[C@@]2(F)CCOC2)C1 ZINC001440064665 891348491 /nfs/dbraw/zinc/34/84/91/891348491.db2.gz MCMWLUQZGJJORA-JOYOIKCWSA-N 1 2 276.308 -1.341 20 0 CAADLO C[C@@H](O)C[NH+]1CC(O)(CNC(=O)[C@@]2(F)CCOC2)C1 ZINC001440064611 891348927 /nfs/dbraw/zinc/34/89/27/891348927.db2.gz MCMWLUQZGJJORA-BXKDBHETSA-N 1 2 276.308 -1.341 20 0 CAADLO C[C@@H](O)C[NH+]1CC(O)(CNC(=O)[C@]2(F)CCOC2)C1 ZINC001440064670 891348898 /nfs/dbraw/zinc/34/88/98/891348898.db2.gz MCMWLUQZGJJORA-SKDRFNHKSA-N 1 2 276.308 -1.341 20 0 CAADLO C[C@@H](O)C[NH+]1CC(O)(CNC(=O)[C@@H]2CCC(=O)NC2)C1 ZINC001440060620 891349467 /nfs/dbraw/zinc/34/94/67/891349467.db2.gz FPIXXFLGBGAEDE-NXEZZACHSA-N 1 2 285.344 -1.944 20 0 CAADLO C[C@@H](O)C[NH+]1CC(O)(CNC(=O)[C@]2(C)CCNC(=O)C2)C1 ZINC001440051334 891349765 /nfs/dbraw/zinc/34/97/65/891349765.db2.gz GWOPUNHWXZQFGV-ZWNOBZJWSA-N 1 2 299.371 -1.554 20 0 CAADLO CCOc1cc(C(=O)NCC2(O)C[NH+](CCCO)C2)[nH]n1 ZINC001440057419 891350294 /nfs/dbraw/zinc/35/02/94/891350294.db2.gz LFWOLUKBNMVYLT-UHFFFAOYSA-N 1 2 298.343 -1.033 20 0 CAADLO O=C(NCC1(O)C[NH+](CCCO)C1)[C@H]1CCNC(=O)C1 ZINC001440045366 891350520 /nfs/dbraw/zinc/35/05/20/891350520.db2.gz IIBQQBURHNOKBP-JTQLQIEISA-N 1 2 285.344 -1.942 20 0 CAADLO C[C@@H](O)C[NH+]1CC(O)(CNC(=O)[C@H]2CCC(=O)NC2)C1 ZINC001440060627 891351365 /nfs/dbraw/zinc/35/13/65/891351365.db2.gz FPIXXFLGBGAEDE-ZJUUUORDSA-N 1 2 285.344 -1.944 20 0 CAADLO C[C@H](O)C[NH+]1CC(O)(CNC(=O)CCc2cn[nH]c2)C1 ZINC001440082441 891351789 /nfs/dbraw/zinc/35/17/89/891351789.db2.gz BHYFYNGCVWGWAG-JTQLQIEISA-N 1 2 282.344 -1.114 20 0 CAADLO O=C(NCC1(O)C[NH+](CCCO)C1)c1c[nH]c(=O)cn1 ZINC001440075451 891352175 /nfs/dbraw/zinc/35/21/75/891352175.db2.gz XLQMEANUEBTYMB-UHFFFAOYSA-N 1 2 282.300 -2.071 20 0 CAADLO COC[C@@H](C)[NH+]1CC(O)(CNC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001440088620 891352351 /nfs/dbraw/zinc/35/23/51/891352351.db2.gz OIXIHYXYCNKDAM-ZJUUUORDSA-N 1 2 285.344 -1.537 20 0 CAADLO COc1ccc(C(=O)NCC2(O)C[NH+](C[C@H](C)O)C2)nn1 ZINC001440083319 891352380 /nfs/dbraw/zinc/35/23/80/891352380.db2.gz CCOFXAGEGXFFMY-VIFPVBQESA-N 1 2 296.327 -1.358 20 0 CAADLO C[C@@H](O)C[NH+]1CC(O)(CNC(=O)c2ccc(=O)[nH]c2)C1 ZINC001440090975 891352572 /nfs/dbraw/zinc/35/25/72/891352572.db2.gz WXIVLKTYRBZHFN-SECBINFHSA-N 1 2 281.312 -1.056 20 0 CAADLO CO[C@H](C)C[NH+]1CC(O)(CNC(=O)C[C@H]2CCC(=O)N2)C1 ZINC001440085251 891352949 /nfs/dbraw/zinc/35/29/49/891352949.db2.gz NDBCESLOYLLVSI-GHMZBOCLSA-N 1 2 299.371 -1.147 20 0 CAADLO CCCn1cc(C(=O)NCC2(O)C[NH+](C[C@H](C)O)C2)nn1 ZINC001440089401 891353168 /nfs/dbraw/zinc/35/31/68/891353168.db2.gz PAVOMHQEJDHPBO-JTQLQIEISA-N 1 2 297.359 -1.155 20 0 CAADLO CN(C)C(=O)CN1CC(O)(CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001440084003 891353587 /nfs/dbraw/zinc/35/35/87/891353587.db2.gz WTBKGPZMYCXGQU-UHFFFAOYSA-N 1 2 295.343 -1.797 20 0 CAADLO C[C@@H](O)C[NH+]1CC(O)(CNC(=O)CCc2cn[nH]c2)C1 ZINC001440082442 891353706 /nfs/dbraw/zinc/35/37/06/891353706.db2.gz BHYFYNGCVWGWAG-SNVBAGLBSA-N 1 2 282.344 -1.114 20 0 CAADLO CC[NH+]1CC(O)(CNC(=O)COCc2nncn2C)C1 ZINC001440088866 891353768 /nfs/dbraw/zinc/35/37/68/891353768.db2.gz NDWKRORVSBOVLA-UHFFFAOYSA-N 1 2 283.332 -1.486 20 0 CAADLO CO[C@H](C)C[NH+]1CC(O)(CNC(=O)c2cnn(C)n2)C1 ZINC001440083147 891353823 /nfs/dbraw/zinc/35/38/23/891353823.db2.gz BFHPBDRUJVYENJ-SECBINFHSA-N 1 2 283.332 -1.374 20 0 CAADLO C[C@@H](O)C[NH+]1CC(O)(CNC(=O)[C@H]2CCCC(=O)N2C)C1 ZINC001440091311 891354054 /nfs/dbraw/zinc/35/40/54/891354054.db2.gz ZYKPIYJYNAHFTK-GHMZBOCLSA-N 1 2 299.371 -1.459 20 0 CAADLO C[C@@H](O)C[NH+]1CC(O)(CNC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001440072265 891354250 /nfs/dbraw/zinc/35/42/50/891354250.db2.gz DUUDAOSNCKHYSC-HLTSFMKQSA-N 1 2 271.317 -2.349 20 0 CAADLO C[C@@H](O)C[NH+]1CC(O)(CNC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001440088673 891354415 /nfs/dbraw/zinc/35/44/15/891354415.db2.gz PJGGUWBWQKLAIR-BDAKNGLRSA-N 1 2 271.317 -2.191 20 0 CAADLO COCc1cc(C(=O)NCC2(O)C[NH+](CCCO)C2)no1 ZINC001440084134 891354713 /nfs/dbraw/zinc/35/47/13/891354713.db2.gz HBYILOPFQRXRQN-UHFFFAOYSA-N 1 2 299.327 -1.020 20 0 CAADLO COCC[NH+]1CC(O)(CNC(=O)c2cn(C)c(=O)n2C)C1 ZINC001440094296 891356041 /nfs/dbraw/zinc/35/60/41/891356041.db2.gz LQKNUXHYYYPTBF-UHFFFAOYSA-N 1 2 298.343 -1.853 20 0 CAADLO CC(=O)NCC(=O)N[C@]1(CO)CCC[N@H+](CC(N)=O)C1 ZINC001440162082 891356999 /nfs/dbraw/zinc/35/69/99/891356999.db2.gz BSAGNTBUADEPHF-GFCCVEGCSA-N 1 2 286.332 -2.449 20 0 CAADLO CC(=O)NCC(=O)N[C@]1(CO)CCC[N@@H+](CC(N)=O)C1 ZINC001440162082 891357007 /nfs/dbraw/zinc/35/70/07/891357007.db2.gz BSAGNTBUADEPHF-GFCCVEGCSA-N 1 2 286.332 -2.449 20 0 CAADLO CC(=O)NCC(=O)N[C@@]1(CO)CCC[N@H+](CC(N)=O)C1 ZINC001440162084 891357027 /nfs/dbraw/zinc/35/70/27/891357027.db2.gz BSAGNTBUADEPHF-LBPRGKRZSA-N 1 2 286.332 -2.449 20 0 CAADLO CC(=O)NCC(=O)N[C@@]1(CO)CCC[N@@H+](CC(N)=O)C1 ZINC001440162084 891357037 /nfs/dbraw/zinc/35/70/37/891357037.db2.gz BSAGNTBUADEPHF-LBPRGKRZSA-N 1 2 286.332 -2.449 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@](CO)(NC(=O)Cn2cnnn2)C1 ZINC001440171756 891357198 /nfs/dbraw/zinc/35/71/98/891357198.db2.gz DMDMOBGNHAFDCY-NSHDSACASA-N 1 2 297.319 -2.899 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@](CO)(NC(=O)Cn2cnnn2)C1 ZINC001440171756 891357206 /nfs/dbraw/zinc/35/72/06/891357206.db2.gz DMDMOBGNHAFDCY-NSHDSACASA-N 1 2 297.319 -2.899 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@](CO)(NC(=O)COCC2CC2)C1 ZINC001440169230 891358460 /nfs/dbraw/zinc/35/84/60/891358460.db2.gz NBZQSUNKSODBIJ-AWEZNQCLSA-N 1 2 299.371 -1.159 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@](CO)(NC(=O)COCC2CC2)C1 ZINC001440169230 891358474 /nfs/dbraw/zinc/35/84/74/891358474.db2.gz NBZQSUNKSODBIJ-AWEZNQCLSA-N 1 2 299.371 -1.159 20 0 CAADLO O=C(Cc1cnc[nH]1)N[C@]1(CO)CCC[N@@H+](CCO)C1 ZINC001440187915 891359443 /nfs/dbraw/zinc/35/94/43/891359443.db2.gz MQNUKEBHLJHHIO-CYBMUJFWSA-N 1 2 282.344 -1.112 20 0 CAADLO O=C(Cc1cnc[nH]1)N[C@]1(CO)CCC[N@H+](CCO)C1 ZINC001440187915 891359452 /nfs/dbraw/zinc/35/94/52/891359452.db2.gz MQNUKEBHLJHHIO-CYBMUJFWSA-N 1 2 282.344 -1.112 20 0 CAADLO O=C(Cc1ncn[nH]1)N(CCO)CC[NH2+][C@H]1CCNC1=O ZINC001440210614 891360536 /nfs/dbraw/zinc/36/05/36/891360536.db2.gz XEZGBNLINHRIKT-VIFPVBQESA-N 1 2 296.331 -2.354 20 0 CAADLO O=C(Cc1ncn[nH]1)N(CCO)CC[NH2+][C@@H]1CCNC1=O ZINC001440210611 891362383 /nfs/dbraw/zinc/36/23/83/891362383.db2.gz XEZGBNLINHRIKT-SECBINFHSA-N 1 2 296.331 -2.354 20 0 CAADLO CC[N@@H+]1CCOC[C@@H]1CNC(=O)CN(C)C(=O)COC ZINC001440262531 891363219 /nfs/dbraw/zinc/36/32/19/891363219.db2.gz YTWQPTFBKZPRRF-NSHDSACASA-N 1 2 287.360 -1.072 20 0 CAADLO CC[N@H+]1CCOC[C@@H]1CNC(=O)CN(C)C(=O)COC ZINC001440262531 891363232 /nfs/dbraw/zinc/36/32/32/891363232.db2.gz YTWQPTFBKZPRRF-NSHDSACASA-N 1 2 287.360 -1.072 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CC[C@H]1CN(C)C(=O)CCNC(N)=O ZINC001440252449 891363293 /nfs/dbraw/zinc/36/32/93/891363293.db2.gz KKSAGIONENOXGC-IUCAKERBSA-N 1 2 285.348 -1.549 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CC[C@H]1CN(C)C(=O)CCNC(N)=O ZINC001440252449 891363304 /nfs/dbraw/zinc/36/33/04/891363304.db2.gz KKSAGIONENOXGC-IUCAKERBSA-N 1 2 285.348 -1.549 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CC[C@@H]1CN(C)C(=O)CCNC(N)=O ZINC001440252446 891363408 /nfs/dbraw/zinc/36/34/08/891363408.db2.gz KKSAGIONENOXGC-DTWKUNHWSA-N 1 2 285.348 -1.549 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CC[C@@H]1CN(C)C(=O)CCNC(N)=O ZINC001440252446 891363421 /nfs/dbraw/zinc/36/34/21/891363421.db2.gz KKSAGIONENOXGC-DTWKUNHWSA-N 1 2 285.348 -1.549 20 0 CAADLO CC[N@@H+]1CCOC[C@H]1CNC(=O)CN(C)C(=O)COC ZINC001440262528 891363566 /nfs/dbraw/zinc/36/35/66/891363566.db2.gz YTWQPTFBKZPRRF-LLVKDONJSA-N 1 2 287.360 -1.072 20 0 CAADLO CC[N@H+]1CCOC[C@H]1CNC(=O)CN(C)C(=O)COC ZINC001440262528 891363580 /nfs/dbraw/zinc/36/35/80/891363580.db2.gz YTWQPTFBKZPRRF-LLVKDONJSA-N 1 2 287.360 -1.072 20 0 CAADLO O=C(CCn1ccnn1)NC[C@H]1COCC[N@H+]1CCCO ZINC001440241377 891363787 /nfs/dbraw/zinc/36/37/87/891363787.db2.gz OSKFYMKSTDVYML-LBPRGKRZSA-N 1 2 297.359 -1.132 20 0 CAADLO O=C(CCn1ccnn1)NC[C@H]1COCC[N@@H+]1CCCO ZINC001440241377 891363803 /nfs/dbraw/zinc/36/38/03/891363803.db2.gz OSKFYMKSTDVYML-LBPRGKRZSA-N 1 2 297.359 -1.132 20 0 CAADLO C[C@@H](C(N)=O)[N@H+](C)CCCN(C)C(=O)CS(C)(=O)=O ZINC001440419926 891368929 /nfs/dbraw/zinc/36/89/29/891368929.db2.gz BEAFQGZHOPRXJY-VIFPVBQESA-N 1 2 293.389 -1.315 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+](C)CCCN(C)C(=O)CS(C)(=O)=O ZINC001440419926 891368941 /nfs/dbraw/zinc/36/89/41/891368941.db2.gz BEAFQGZHOPRXJY-VIFPVBQESA-N 1 2 293.389 -1.315 20 0 CAADLO C[C@H](C(N)=O)[N@H+](C)CCCN(C)C(=O)CS(C)(=O)=O ZINC001440419923 891369275 /nfs/dbraw/zinc/36/92/75/891369275.db2.gz BEAFQGZHOPRXJY-SECBINFHSA-N 1 2 293.389 -1.315 20 0 CAADLO C[C@H](C(N)=O)[N@@H+](C)CCCN(C)C(=O)CS(C)(=O)=O ZINC001440419923 891369286 /nfs/dbraw/zinc/36/92/86/891369286.db2.gz BEAFQGZHOPRXJY-SECBINFHSA-N 1 2 293.389 -1.315 20 0 CAADLO O=C(CCn1ccnn1)N[C@@H]1COC2(C[NH+](CCO)C2)C1 ZINC001440504737 891373850 /nfs/dbraw/zinc/37/38/50/891373850.db2.gz NCVPZZFCKQXHJX-NSHDSACASA-N 1 2 295.343 -1.380 20 0 CAADLO O=C(CCn1ccnn1)N[C@H]1COC2(C[NH+](CCO)C2)C1 ZINC001440504734 891375865 /nfs/dbraw/zinc/37/58/65/891375865.db2.gz NCVPZZFCKQXHJX-LLVKDONJSA-N 1 2 295.343 -1.380 20 0 CAADLO C[C@@H]1C[C@H](C(=O)NC2(CO)CC[NH+](CC(N)=O)CC2)CO1 ZINC001440692833 891377643 /nfs/dbraw/zinc/37/76/43/891377643.db2.gz CGRNDVYREFVFEY-MNOVXSKESA-N 1 2 299.371 -1.160 20 0 CAADLO NC(=O)C[NH+]1CCC(CO)(NC(=O)C2=CCOCC2)CC1 ZINC001440690601 891378176 /nfs/dbraw/zinc/37/81/76/891378176.db2.gz ALVLYQHNWMYZEI-UHFFFAOYSA-N 1 2 297.355 -1.239 20 0 CAADLO C[C@H]1C[C@@H](C(=O)NC2(CO)CC[NH+](CC(N)=O)CC2)CO1 ZINC001440692839 891379200 /nfs/dbraw/zinc/37/92/00/891379200.db2.gz CGRNDVYREFVFEY-WDEREUQCSA-N 1 2 299.371 -1.160 20 0 CAADLO C[C@H]1C[C@H](C(=O)NC2(CO)CC[NH+](CC(N)=O)CC2)CO1 ZINC001440692835 891379340 /nfs/dbraw/zinc/37/93/40/891379340.db2.gz CGRNDVYREFVFEY-QWRGUYRKSA-N 1 2 299.371 -1.160 20 0 CAADLO C[C@@H]1OCC[C@H]1C(=O)NC1(CO)CC[NH+](CC(N)=O)CC1 ZINC001440707756 891380038 /nfs/dbraw/zinc/38/00/38/891380038.db2.gz SOHWCFVFVNSMHQ-WDEREUQCSA-N 1 2 299.371 -1.160 20 0 CAADLO Cn1cncc1C(=O)NC1(CO)CC[NH+](CC(N)=O)CC1 ZINC001440699254 891380549 /nfs/dbraw/zinc/38/05/49/891380549.db2.gz PXURKFURWYBYRV-UHFFFAOYSA-N 1 2 295.343 -1.538 20 0 CAADLO C[C@@H]([NH2+]Cc1nnn(C)n1)[C@H](C)NC(=O)c1ncn(C)n1 ZINC001440801763 891382998 /nfs/dbraw/zinc/38/29/98/891382998.db2.gz PSGPLIORTFMTPQ-SFYZADRCSA-N 1 2 293.335 -1.365 20 0 CAADLO CNC(=O)NCC(=O)N[C@H](C)[C@H](C)[NH2+]Cc1nnn(C)n1 ZINC001440793380 891383721 /nfs/dbraw/zinc/38/37/21/891383721.db2.gz WOSHXKZCUBDMPJ-JGVFFNPUSA-N 1 2 298.351 -1.878 20 0 CAADLO C[C@@H](NC(=O)c1nnc[nH]1)[C@@H](C)[NH2+]Cc1nnnn1C ZINC001440835612 891386934 /nfs/dbraw/zinc/38/69/34/891386934.db2.gz JCSXUDAUJNHZBY-RNFRBKRXSA-N 1 2 279.308 -1.375 20 0 CAADLO NC(=O)C(NC(=O)[C@@H]1CCc2[nH+]ccn2C1)C(N)=O ZINC001440863485 891387780 /nfs/dbraw/zinc/38/77/80/891387780.db2.gz RNWMFOXHNFKCQI-ZCFIWIBFSA-N 1 2 265.273 -2.099 20 0 CAADLO Cc1nc(CC(=O)NC[C@H](C)[N@H+](C)[C@@H]2CCNC2=O)n[nH]1 ZINC001440917251 891393637 /nfs/dbraw/zinc/39/36/37/891393637.db2.gz KKCFNVPPCTWMPY-WCBMZHEXSA-N 1 2 294.359 -1.019 20 0 CAADLO Cc1nc(CC(=O)NC[C@H](C)[N@@H+](C)[C@@H]2CCNC2=O)n[nH]1 ZINC001440917251 891393652 /nfs/dbraw/zinc/39/36/52/891393652.db2.gz KKCFNVPPCTWMPY-WCBMZHEXSA-N 1 2 294.359 -1.019 20 0 CAADLO Cc1nc(CC(=O)NC[C@@H](C)[N@H+](C)[C@H]2CCNC2=O)n[nH]1 ZINC001440917248 891395138 /nfs/dbraw/zinc/39/51/38/891395138.db2.gz KKCFNVPPCTWMPY-SCZZXKLOSA-N 1 2 294.359 -1.019 20 0 CAADLO Cc1nc(CC(=O)NC[C@@H](C)[N@@H+](C)[C@H]2CCNC2=O)n[nH]1 ZINC001440917248 891395165 /nfs/dbraw/zinc/39/51/65/891395165.db2.gz KKCFNVPPCTWMPY-SCZZXKLOSA-N 1 2 294.359 -1.019 20 0 CAADLO NC(=O)NC(=O)C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCCO2)C1 ZINC001441018353 891397855 /nfs/dbraw/zinc/39/78/55/891397855.db2.gz MTPRSKGKEABRBZ-UWVGGRQHSA-N 1 2 298.343 -1.059 20 0 CAADLO NC(=O)NC(=O)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCCO2)C1 ZINC001441018353 891397873 /nfs/dbraw/zinc/39/78/73/891397873.db2.gz MTPRSKGKEABRBZ-UWVGGRQHSA-N 1 2 298.343 -1.059 20 0 CAADLO CNC(=O)C[N@@H+]1CCC[C@H](NC(=O)[C@@H](COC)OC)C1 ZINC001441035894 891398487 /nfs/dbraw/zinc/39/84/87/891398487.db2.gz ONFXMFFXRYTIPC-WDEREUQCSA-N 1 2 287.360 -1.026 20 0 CAADLO CNC(=O)C[N@H+]1CCC[C@H](NC(=O)[C@@H](COC)OC)C1 ZINC001441035894 891398504 /nfs/dbraw/zinc/39/85/04/891398504.db2.gz ONFXMFFXRYTIPC-WDEREUQCSA-N 1 2 287.360 -1.026 20 0 CAADLO CC(=O)NC1(CCO)C[NH+](C[C@H](O)Cn2cccn2)C1 ZINC001441020224 891398666 /nfs/dbraw/zinc/39/86/66/891398666.db2.gz QUULQUQHGKFOCA-LBPRGKRZSA-N 1 2 282.344 -1.183 20 0 CAADLO CCC(=O)NCC(=O)NC1(CCO)C[NH+](CCO)C1 ZINC001441027950 891398865 /nfs/dbraw/zinc/39/88/65/891398865.db2.gz IWJBOWIZQZWOTO-UHFFFAOYSA-N 1 2 273.333 -1.942 20 0 CAADLO NC(=O)NC(=O)C[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCCO2)C1 ZINC001441018355 891398924 /nfs/dbraw/zinc/39/89/24/891398924.db2.gz MTPRSKGKEABRBZ-VHSXEESVSA-N 1 2 298.343 -1.059 20 0 CAADLO NC(=O)NC(=O)C[N@H+]1CCC[C@H](NC(=O)[C@H]2CCCO2)C1 ZINC001441018355 891398940 /nfs/dbraw/zinc/39/89/40/891398940.db2.gz MTPRSKGKEABRBZ-VHSXEESVSA-N 1 2 298.343 -1.059 20 0 CAADLO CCn1cc(C(=O)NC2(CCO)C[NH+](C[C@H](C)O)C2)nn1 ZINC001441072574 891399410 /nfs/dbraw/zinc/39/94/10/891399410.db2.gz AZUIUQCPNBCHNN-JTQLQIEISA-N 1 2 297.359 -1.155 20 0 CAADLO CCn1cc(C(=O)NC2(CCO)C[NH+](C[C@@H](C)O)C2)nn1 ZINC001441072577 891399780 /nfs/dbraw/zinc/39/97/80/891399780.db2.gz AZUIUQCPNBCHNN-SNVBAGLBSA-N 1 2 297.359 -1.155 20 0 CAADLO COC[C@@H](C)[NH+]1CC(CCO)(NC(=O)Cc2nc[nH]n2)C1 ZINC001441068099 891400539 /nfs/dbraw/zinc/40/05/39/891400539.db2.gz KCTANEHVFRFOKE-SNVBAGLBSA-N 1 2 297.359 -1.065 20 0 CAADLO NC(=O)CN1CC(CCO)(NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001441042841 891400808 /nfs/dbraw/zinc/40/08/08/891400808.db2.gz BQUPWPLXDUCLSZ-UHFFFAOYSA-N 1 2 295.343 -1.619 20 0 CAADLO NC(=O)CN1CC(CCO)(NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001441042841 891400810 /nfs/dbraw/zinc/40/08/10/891400810.db2.gz BQUPWPLXDUCLSZ-UHFFFAOYSA-N 1 2 295.343 -1.619 20 0 CAADLO COCC[NH+]1CC(CCO)(NC(=O)[C@H]2CC(=O)N(C)C2)C1 ZINC001441042782 891400890 /nfs/dbraw/zinc/40/08/90/891400890.db2.gz AYCQVUYYSOGULV-NSHDSACASA-N 1 2 299.371 -1.336 20 0 CAADLO Cc1nn[nH]c1C(=O)NC1(CCO)C[NH+](C[C@H](C)O)C1 ZINC001441055347 891401271 /nfs/dbraw/zinc/40/12/71/891401271.db2.gz PPBFWLSYUNYHQW-QMMMGPOBSA-N 1 2 283.332 -1.339 20 0 CAADLO NC(=O)NCCC(=O)NCC[NH+]1CCN(CCF)CC1 ZINC001441077441 891401295 /nfs/dbraw/zinc/40/12/95/891401295.db2.gz IJRPXWOQOCDRAP-UHFFFAOYSA-N 1 2 289.355 -1.252 20 0 CAADLO Cc1nn[nH]c1C(=O)NC1(CCO)C[NH+](C[C@@H](C)O)C1 ZINC001441055340 891401972 /nfs/dbraw/zinc/40/19/72/891401972.db2.gz PPBFWLSYUNYHQW-MRVPVSSYSA-N 1 2 283.332 -1.339 20 0 CAADLO C[C@H](CC(N)=O)C(=O)N[C@H](C)C1C[NH+](CC(N)=O)C1 ZINC001441170653 891403254 /nfs/dbraw/zinc/40/32/54/891403254.db2.gz VAMCUHZLSITYNM-HTQZYQBOSA-N 1 2 270.333 -1.580 20 0 CAADLO CNC(=O)C[NH+]1CC([C@H](C)NC(=O)CCNC(N)=O)C1 ZINC001441197041 891403399 /nfs/dbraw/zinc/40/33/99/891403399.db2.gz LICGGHDYGJUIHA-QMMMGPOBSA-N 1 2 285.348 -1.773 20 0 CAADLO CCNC(=O)C[NH+]1CC([C@H](C)NC(=O)[C@@H]2COCCO2)C1 ZINC001441145042 891403455 /nfs/dbraw/zinc/40/34/55/891403455.db2.gz YQHDRMPUJUMRNA-JQWIXIFHSA-N 1 2 299.371 -1.026 20 0 CAADLO C[C@H](NC(N)=O)C(=O)N[C@H]1CC[N@H+](Cc2cnnn2C)C1 ZINC001441092881 891403754 /nfs/dbraw/zinc/40/37/54/891403754.db2.gz HZCGEQLHMSVAQT-IUCAKERBSA-N 1 2 295.347 -1.438 20 0 CAADLO C[C@H](NC(N)=O)C(=O)N[C@H]1CC[N@@H+](Cc2cnnn2C)C1 ZINC001441092881 891403760 /nfs/dbraw/zinc/40/37/60/891403760.db2.gz HZCGEQLHMSVAQT-IUCAKERBSA-N 1 2 295.347 -1.438 20 0 CAADLO C[C@@H](NC(=O)[C@]1(C)CCC(=O)NC1)C1C[NH+](CC(N)=O)C1 ZINC001441177748 891403973 /nfs/dbraw/zinc/40/39/73/891403973.db2.gz QHIOXZJKGXGLIN-YMTOWFKASA-N 1 2 296.371 -1.176 20 0 CAADLO CNC(=O)C[NH+]1CC([C@H](C)NC(=O)CNC(=O)OC)C1 ZINC001441152103 891404340 /nfs/dbraw/zinc/40/43/40/891404340.db2.gz HGXNVNHOPHAATG-QMMMGPOBSA-N 1 2 286.332 -1.475 20 0 CAADLO CNC(=O)NCCC(=O)N[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001441098023 891404636 /nfs/dbraw/zinc/40/46/36/891404636.db2.gz TVDCMDKZGIFDRG-MRVPVSSYSA-N 1 2 271.321 -2.019 20 0 CAADLO CNC(=O)NCCC(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001441098023 891404647 /nfs/dbraw/zinc/40/46/47/891404647.db2.gz TVDCMDKZGIFDRG-MRVPVSSYSA-N 1 2 271.321 -2.019 20 0 CAADLO CCNC(=O)C[NH+]1CC([C@H](C)NC(=O)[C@H]2COCCO2)C1 ZINC001441145031 891405110 /nfs/dbraw/zinc/40/51/10/891405110.db2.gz YQHDRMPUJUMRNA-CMPLNLGQSA-N 1 2 299.371 -1.026 20 0 CAADLO CNC(=O)C[NH+]1CC([C@@H](C)NC(=O)CN(C)C(C)=O)C1 ZINC001441133461 891405420 /nfs/dbraw/zinc/40/54/20/891405420.db2.gz FZIMAINFSWHNAL-SECBINFHSA-N 1 2 284.360 -1.353 20 0 CAADLO CNC(=O)C[NH+]1CC([C@@H](C)NC(=O)CCNC(N)=O)C1 ZINC001441196530 891405481 /nfs/dbraw/zinc/40/54/81/891405481.db2.gz LICGGHDYGJUIHA-MRVPVSSYSA-N 1 2 285.348 -1.773 20 0 CAADLO CC(=O)N[C@@H](C)C(=O)N[C@@H]1C[N@H+](CC(N)=O)CC1(C)C ZINC001441230093 891406655 /nfs/dbraw/zinc/40/66/55/891406655.db2.gz PYGPSGFQTVBMNQ-WCBMZHEXSA-N 1 2 284.360 -1.177 20 0 CAADLO CC(=O)N[C@@H](C)C(=O)N[C@@H]1C[N@@H+](CC(N)=O)CC1(C)C ZINC001441230093 891406671 /nfs/dbraw/zinc/40/66/71/891406671.db2.gz PYGPSGFQTVBMNQ-WCBMZHEXSA-N 1 2 284.360 -1.177 20 0 CAADLO CNC(=O)C[NH+]1CC([C@H](C)NC(=O)Cc2nc[nH]n2)C1 ZINC001441215543 891407258 /nfs/dbraw/zinc/40/72/58/891407258.db2.gz PLBBVEMSTFHFPJ-QMMMGPOBSA-N 1 2 280.332 -1.470 20 0 CAADLO CC(=O)NCC(=O)N[C@@H]1C[N@H+](CC(N)=O)CC1(C)C ZINC001441226541 891407325 /nfs/dbraw/zinc/40/73/25/891407325.db2.gz KNBIBLSEBQQFNP-SECBINFHSA-N 1 2 270.333 -1.566 20 0 CAADLO CC(=O)NCC(=O)N[C@@H]1C[N@@H+](CC(N)=O)CC1(C)C ZINC001441226541 891407335 /nfs/dbraw/zinc/40/73/35/891407335.db2.gz KNBIBLSEBQQFNP-SECBINFHSA-N 1 2 270.333 -1.566 20 0 CAADLO O=C(NCCn1cc[nH+]c1)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001441318338 891408345 /nfs/dbraw/zinc/40/83/45/891408345.db2.gz KPGXGSARVJDHOX-QMMMGPOBSA-N 1 2 286.313 -2.088 20 0 CAADLO CC(=O)N[C@@H](C)C(=O)N[C@H]1C[N@H+](CC(N)=O)CC1(C)C ZINC001441230096 891408487 /nfs/dbraw/zinc/40/84/87/891408487.db2.gz PYGPSGFQTVBMNQ-WPRPVWTQSA-N 1 2 284.360 -1.177 20 0 CAADLO CC(=O)N[C@@H](C)C(=O)N[C@H]1C[N@@H+](CC(N)=O)CC1(C)C ZINC001441230096 891408495 /nfs/dbraw/zinc/40/84/95/891408495.db2.gz PYGPSGFQTVBMNQ-WPRPVWTQSA-N 1 2 284.360 -1.177 20 0 CAADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)Cn1nnc(N)n1 ZINC001441373761 891411439 /nfs/dbraw/zinc/41/14/39/891411439.db2.gz SLBBLQPVBMUDGB-QMMMGPOBSA-N 1 2 269.309 -1.908 20 0 CAADLO C[C@@H](CC(N)=O)C(=O)NC[C@H]1CCCC[N@@H+]1CC(N)=O ZINC001441641024 891419803 /nfs/dbraw/zinc/41/98/03/891419803.db2.gz HWKSVONOJVKBIE-VHSXEESVSA-N 1 2 284.360 -1.046 20 0 CAADLO C[C@@H](CC(N)=O)C(=O)NC[C@H]1CCCC[N@H+]1CC(N)=O ZINC001441641024 891419810 /nfs/dbraw/zinc/41/98/10/891419810.db2.gz HWKSVONOJVKBIE-VHSXEESVSA-N 1 2 284.360 -1.046 20 0 CAADLO CC(=O)NC[C@H](CO)[NH2+]Cc1nc2c(cnn2C)c(=O)[nH]1 ZINC001441653326 891420281 /nfs/dbraw/zinc/42/02/81/891420281.db2.gz KNHNIKGEQCLQAG-MRVPVSSYSA-N 1 2 294.315 -1.345 20 0 CAADLO COCC(=O)NC[C@H](CO)[NH2+]Cc1nnc(C2CC2)[nH]1 ZINC001441651124 891420517 /nfs/dbraw/zinc/42/05/17/891420517.db2.gz QSIFBEDRTYOMBV-SECBINFHSA-N 1 2 283.332 -1.105 20 0 CAADLO C[C@@H](CC(N)=O)C(=O)NC[C@@H]1CCCC[N@@H+]1CC(N)=O ZINC001441641022 891420626 /nfs/dbraw/zinc/42/06/26/891420626.db2.gz HWKSVONOJVKBIE-UWVGGRQHSA-N 1 2 284.360 -1.046 20 0 CAADLO C[C@@H](CC(N)=O)C(=O)NC[C@@H]1CCCC[N@H+]1CC(N)=O ZINC001441641022 891420635 /nfs/dbraw/zinc/42/06/35/891420635.db2.gz HWKSVONOJVKBIE-UWVGGRQHSA-N 1 2 284.360 -1.046 20 0 CAADLO COCC(=O)NC[C@@H](CO)[NH2+][C@H](C)c1nncn1C ZINC001441651388 891421490 /nfs/dbraw/zinc/42/14/90/891421490.db2.gz QXVAADFPSZXIQW-BDAKNGLRSA-N 1 2 271.321 -1.411 20 0 CAADLO Cc1nnc(C[NH2+][C@H](CO)CNC(=O)C2=COCCO2)[nH]1 ZINC001441660796 891423624 /nfs/dbraw/zinc/42/36/24/891423624.db2.gz BZNSZQLPFMNSGE-VIFPVBQESA-N 1 2 297.315 -1.432 20 0 CAADLO C[C@@H]([NH2+][C@H](CO)CNC(=O)c1ccn[nH]1)c1nnnn1C ZINC001441663163 891423675 /nfs/dbraw/zinc/42/36/75/891423675.db2.gz HGWYMUQZCBAKRJ-SFYZADRCSA-N 1 2 294.319 -1.625 20 0 CAADLO CC(=O)N[C@H](C)C(=O)NC[C@@H](CO)[NH2+]Cc1ccon1 ZINC001441660938 891423719 /nfs/dbraw/zinc/42/37/19/891423719.db2.gz CXDZNFPTKRVWLX-KCJUWKMLSA-N 1 2 284.316 -1.234 20 0 CAADLO Cc1nnc(C[NH2+][C@@H](CO)CNC(=O)C2=COCCO2)[nH]1 ZINC001441660793 891424082 /nfs/dbraw/zinc/42/40/82/891424082.db2.gz BZNSZQLPFMNSGE-SECBINFHSA-N 1 2 297.315 -1.432 20 0 CAADLO CCOCC(=O)NC[C@H](CO)[NH2+][C@@H](C)c1nncn1C ZINC001441663002 891424127 /nfs/dbraw/zinc/42/41/27/891424127.db2.gz GXMIUAPUXQYBAD-VHSXEESVSA-N 1 2 285.348 -1.021 20 0 CAADLO C[C@@H]([NH2+][C@@H](CO)CNC(=O)c1ccn[nH]1)c1nnnn1C ZINC001441663159 891424557 /nfs/dbraw/zinc/42/45/57/891424557.db2.gz HGWYMUQZCBAKRJ-HTQZYQBOSA-N 1 2 294.319 -1.625 20 0 CAADLO CC(C)OCC(=O)NC[C@@H](CO)[NH2+]Cc1ncnn1C ZINC001441676392 891426532 /nfs/dbraw/zinc/42/65/32/891426532.db2.gz RRXVKESWDNXCGU-JTQLQIEISA-N 1 2 285.348 -1.193 20 0 CAADLO Cc1occc1C(=O)NC[C@H](CO)[NH2+]Cc1nnnn1C ZINC001441669789 891427348 /nfs/dbraw/zinc/42/73/48/891427348.db2.gz QWLVCMUKSUJNQY-SECBINFHSA-N 1 2 294.315 -1.008 20 0 CAADLO CO[C@@H](C)C(=O)NC[C@@H](CO)[NH2+]Cc1ncnn1C ZINC001441673088 891427892 /nfs/dbraw/zinc/42/78/92/891427892.db2.gz MGIKAXPLLPSNMK-IUCAKERBSA-N 1 2 271.321 -1.583 20 0 CAADLO CC(=O)N(C)CC(=O)NC[C@@H](CO)[NH2+]Cc1ccon1 ZINC001441673868 891428311 /nfs/dbraw/zinc/42/83/11/891428311.db2.gz JEJFAGPLWJWBNU-NSHDSACASA-N 1 2 284.316 -1.280 20 0 CAADLO Cc1ncc(C(=O)NC[C@H](CO)[NH2+]Cc2cn(C)nn2)[nH]1 ZINC001441679871 891431099 /nfs/dbraw/zinc/43/10/99/891431099.db2.gz LDRIVCSOOYCIJJ-SNVBAGLBSA-N 1 2 293.331 -1.273 20 0 CAADLO O=C(NC[C@@H](CO)[NH2+]Cc1ccon1)[C@H]1CCC(=O)N1 ZINC001441683857 891431303 /nfs/dbraw/zinc/43/13/03/891431303.db2.gz URFWDJQIKIMVHG-VHSXEESVSA-N 1 2 282.300 -1.480 20 0 CAADLO Cn1cnnc1C[NH2+][C@@H](CO)CNC(=O)c1ncc[nH]1 ZINC001441702530 891432606 /nfs/dbraw/zinc/43/26/06/891432606.db2.gz LFPPUBOGPSYVDW-MRVPVSSYSA-N 1 2 279.304 -1.581 20 0 CAADLO Cc1conc1C[NH2+][C@H](CO)CNC(=O)Cn1ncnn1 ZINC001441698998 891433253 /nfs/dbraw/zinc/43/32/53/891433253.db2.gz RDSFBJZWHIBNMS-VIFPVBQESA-N 1 2 295.303 -1.764 20 0 CAADLO Cc1conc1C[NH2+][C@@H](CO)CNC(=O)Cn1ncnn1 ZINC001441698996 891433926 /nfs/dbraw/zinc/43/39/26/891433926.db2.gz RDSFBJZWHIBNMS-SECBINFHSA-N 1 2 295.303 -1.764 20 0 CAADLO Cn1cnnc1C[NH2+][C@@H](CO)CNC(=O)[C@@H]1COC(=O)N1 ZINC001441700526 891435117 /nfs/dbraw/zinc/43/51/17/891435117.db2.gz SMURHONKHRMLJD-SFYZADRCSA-N 1 2 298.303 -2.510 20 0 CAADLO Cc1cc(C[NH2+][C@H](CO)CNC(=O)c2cn[nH]n2)ncn1 ZINC001441715449 891436253 /nfs/dbraw/zinc/43/62/53/891436253.db2.gz RAHSJFDGDLSTHZ-JTQLQIEISA-N 1 2 291.315 -1.216 20 0 CAADLO Cc1cc(C[NH2+][C@H](CO)CNC(=O)c2cnn[nH]2)ncn1 ZINC001441715449 891436262 /nfs/dbraw/zinc/43/62/62/891436262.db2.gz RAHSJFDGDLSTHZ-JTQLQIEISA-N 1 2 291.315 -1.216 20 0 CAADLO Cc1nonc1C[NH2+][C@@H](CO)CNC(=O)c1ncn(C)n1 ZINC001441708146 891437722 /nfs/dbraw/zinc/43/77/22/891437722.db2.gz WVZPJLKETOVIDI-MRVPVSSYSA-N 1 2 295.303 -1.613 20 0 CAADLO Cn1nnnc1C[NH2+][C@H](CO)CNC(=O)c1cc(F)c[nH]1 ZINC001441713048 891437863 /nfs/dbraw/zinc/43/78/63/891437863.db2.gz CELNVAIZPPRNNR-QMMMGPOBSA-N 1 2 297.294 -1.442 20 0 CAADLO Cc1nnc(C[NH2+][C@H](CO)CNC(=O)Cc2cnoc2)[nH]1 ZINC001441742073 891439388 /nfs/dbraw/zinc/43/93/88/891439388.db2.gz UZRIVQOQEPHKRO-JTQLQIEISA-N 1 2 294.315 -1.089 20 0 CAADLO Cn1nnnc1C[NH2+][C@H](CO)CNC(=O)C1(C)CCC1 ZINC001441734412 891439660 /nfs/dbraw/zinc/43/96/60/891439660.db2.gz SIICESXGIYEGKY-VIFPVBQESA-N 1 2 282.348 -1.033 20 0 CAADLO Cc1nn[nH]c1C(=O)NC[C@H](CO)[NH2+]Cc1ccon1 ZINC001441733070 891439724 /nfs/dbraw/zinc/43/97/24/891439724.db2.gz PQLYTZLOOQEVCT-SECBINFHSA-N 1 2 280.288 -1.018 20 0 CAADLO Cn1ncc(C[NH2+][C@@H](CO)CNC(=O)Cc2cnoc2)n1 ZINC001441740291 891440079 /nfs/dbraw/zinc/44/00/79/891440079.db2.gz PKODDBYSUZJTAC-LLVKDONJSA-N 1 2 294.315 -1.388 20 0 CAADLO Cn1ncnc1C[NH2+][C@@H](CO)CNC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001441732851 891440548 /nfs/dbraw/zinc/44/05/48/891440548.db2.gz LHHPLFPAFQELLN-SVDPJWKOSA-N 1 2 295.343 -1.726 20 0 CAADLO Cc1nn[nH]c1C(=O)NC[C@@H](CO)[NH2+]Cc1nccn1C ZINC001441726773 891440586 /nfs/dbraw/zinc/44/05/86/891440586.db2.gz BIABRKJPGOXBHZ-VIFPVBQESA-N 1 2 293.331 -1.273 20 0 CAADLO Cn1ncnc1C[NH2+][C@H](CO)CNC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001441732852 891440680 /nfs/dbraw/zinc/44/06/80/891440680.db2.gz LHHPLFPAFQELLN-UXCLJVHYSA-N 1 2 295.343 -1.726 20 0 CAADLO Cn1nnnc1C[NH2+][C@@H](CO)CNC(=O)c1cnco1 ZINC001441726090 891441133 /nfs/dbraw/zinc/44/11/33/891441133.db2.gz SJFFSCBSJMHQMM-SSDOTTSWSA-N 1 2 281.276 -1.921 20 0 CAADLO Cn1ncc(C[NH2+][C@H](CO)CNC(=O)Cc2cnoc2)n1 ZINC001441740292 891441242 /nfs/dbraw/zinc/44/12/42/891441242.db2.gz PKODDBYSUZJTAC-NSHDSACASA-N 1 2 294.315 -1.388 20 0 CAADLO Cn1nnnc1C[NH2+][C@H](CO)CNC(=O)c1ccncn1 ZINC001441753466 891443532 /nfs/dbraw/zinc/44/35/32/891443532.db2.gz GZTFORPCIZOAON-QMMMGPOBSA-N 1 2 292.303 -2.119 20 0 CAADLO Cn1ncc(C(=O)NC[C@@H](CO)[NH2+]Cc2ccon2)n1 ZINC001441752943 891444933 /nfs/dbraw/zinc/44/49/33/891444933.db2.gz MSSLXHOYGWURQE-VIFPVBQESA-N 1 2 280.288 -1.316 20 0 CAADLO Cn1cc(C[NH2+][C@@H](CO)CNC(=O)c2ccnnc2)nn1 ZINC001441750933 891444950 /nfs/dbraw/zinc/44/49/50/891444950.db2.gz NOPCIDFLLWCHQS-LLVKDONJSA-N 1 2 291.315 -1.514 20 0 CAADLO Cn1cc(C[NH2+][C@H](CO)CNC(=O)c2ncn[nH]2)cn1 ZINC001441773699 891450650 /nfs/dbraw/zinc/45/06/50/891450650.db2.gz ZEUUBEQPNKCHOS-VIFPVBQESA-N 1 2 279.304 -1.581 20 0 CAADLO Cn1cc(C[NH2+][C@H](CO)CNC(=O)c2nc[nH]n2)cn1 ZINC001441773699 891450654 /nfs/dbraw/zinc/45/06/54/891450654.db2.gz ZEUUBEQPNKCHOS-VIFPVBQESA-N 1 2 279.304 -1.581 20 0 CAADLO Cc1conc1C(=O)NC[C@@H](CO)[NH2+]Cc1cn(C)nn1 ZINC001441782816 891451082 /nfs/dbraw/zinc/45/10/82/891451082.db2.gz VTPSUNNTQZVGEN-JTQLQIEISA-N 1 2 294.315 -1.008 20 0 CAADLO Cn1cc(C[NH2+][C@@H](CO)CNC(=O)c2ncn[nH]2)cn1 ZINC001441773691 891451261 /nfs/dbraw/zinc/45/12/61/891451261.db2.gz ZEUUBEQPNKCHOS-SECBINFHSA-N 1 2 279.304 -1.581 20 0 CAADLO Cn1cc(C[NH2+][C@@H](CO)CNC(=O)c2nc[nH]n2)cn1 ZINC001441773691 891451271 /nfs/dbraw/zinc/45/12/71/891451271.db2.gz ZEUUBEQPNKCHOS-SECBINFHSA-N 1 2 279.304 -1.581 20 0 CAADLO CO[C@@H](C)C(=O)NC[C@@H](C)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001441791398 891454430 /nfs/dbraw/zinc/45/44/30/891454430.db2.gz MPXRATJXKJWREI-SFYZADRCSA-N 1 2 271.321 -1.262 20 0 CAADLO CO[C@H](C)C(=O)NC[C@H](C)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001441791395 891455757 /nfs/dbraw/zinc/45/57/57/891455757.db2.gz MPXRATJXKJWREI-JGVFFNPUSA-N 1 2 271.321 -1.262 20 0 CAADLO C[C@@H](CNC(=O)C1CS(=O)(=O)C1)[NH2+]Cc1cnon1 ZINC001441843861 891457258 /nfs/dbraw/zinc/45/72/58/891457258.db2.gz KZIRQJAYLOVWPW-ZETCQYMHSA-N 1 2 288.329 -1.292 20 0 CAADLO CNC(=O)NCC(=O)NC[C@@H](C)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001441876007 891463188 /nfs/dbraw/zinc/46/31/88/891463188.db2.gz YETFLOXKSPUQTE-SSDOTTSWSA-N 1 2 299.335 -2.368 20 0 CAADLO Cc1noc(C[NH2+]C[C@@H](O)CN(C)C(=O)c2cnon2)n1 ZINC001442018976 891474958 /nfs/dbraw/zinc/47/49/58/891474958.db2.gz IJUICDHUMTVORA-MRVPVSSYSA-N 1 2 296.287 -1.016 20 0 CAADLO COCC[N@H+](CCNC(=O)c1ccn(C)n1)CC(N)=O ZINC001442190244 891482635 /nfs/dbraw/zinc/48/26/35/891482635.db2.gz VXPQGVUVFLOJEM-UHFFFAOYSA-N 1 2 283.332 -1.416 20 0 CAADLO COCC[N@@H+](CCNC(=O)c1ccn(C)n1)CC(N)=O ZINC001442190244 891482648 /nfs/dbraw/zinc/48/26/48/891482648.db2.gz VXPQGVUVFLOJEM-UHFFFAOYSA-N 1 2 283.332 -1.416 20 0 CAADLO COCC[N@H+](CCNC(=O)c1ccn[nH]1)[C@H](C)C(N)=O ZINC001442173095 891483131 /nfs/dbraw/zinc/48/31/31/891483131.db2.gz ZNMUBRQOFYOGAJ-SECBINFHSA-N 1 2 283.332 -1.038 20 0 CAADLO COCC[N@@H+](CCNC(=O)c1ccn[nH]1)[C@H](C)C(N)=O ZINC001442173095 891483140 /nfs/dbraw/zinc/48/31/40/891483140.db2.gz ZNMUBRQOFYOGAJ-SECBINFHSA-N 1 2 283.332 -1.038 20 0 CAADLO COCC[N@H+](CCNC(=O)c1cnsn1)CC(N)=O ZINC001442170741 891483739 /nfs/dbraw/zinc/48/37/39/891483739.db2.gz NQOMYVRMVUZSIP-UHFFFAOYSA-N 1 2 287.345 -1.298 20 0 CAADLO COCC[N@@H+](CCNC(=O)c1cnsn1)CC(N)=O ZINC001442170741 891483744 /nfs/dbraw/zinc/48/37/44/891483744.db2.gz NQOMYVRMVUZSIP-UHFFFAOYSA-N 1 2 287.345 -1.298 20 0 CAADLO COCC[N@H+](CCNC(=O)c1cnnc(C)c1)CC(N)=O ZINC001442185198 891483865 /nfs/dbraw/zinc/48/38/65/891483865.db2.gz JGHGCJQJPIFYQV-UHFFFAOYSA-N 1 2 295.343 -1.051 20 0 CAADLO COCC[N@@H+](CCNC(=O)c1cnnc(C)c1)CC(N)=O ZINC001442185198 891483869 /nfs/dbraw/zinc/48/38/69/891483869.db2.gz JGHGCJQJPIFYQV-UHFFFAOYSA-N 1 2 295.343 -1.051 20 0 CAADLO COCC[N@H+](CCNC(=O)c1ccn[nH]1)[C@@H](C)C(N)=O ZINC001442173099 891484399 /nfs/dbraw/zinc/48/43/99/891484399.db2.gz ZNMUBRQOFYOGAJ-VIFPVBQESA-N 1 2 283.332 -1.038 20 0 CAADLO COCC[N@@H+](CCNC(=O)c1ccn[nH]1)[C@@H](C)C(N)=O ZINC001442173099 891484405 /nfs/dbraw/zinc/48/44/05/891484405.db2.gz ZNMUBRQOFYOGAJ-VIFPVBQESA-N 1 2 283.332 -1.038 20 0 CAADLO C[C@H](CCNC(=O)c1cn[nH]n1)[NH2+]Cc1nnn(C)n1 ZINC001442275050 891486543 /nfs/dbraw/zinc/48/65/43/891486543.db2.gz MXHORXJXMPWGJL-SSDOTTSWSA-N 1 2 279.308 -1.374 20 0 CAADLO CC(C)N(C)C(=O)C[N@H+](C)CCNC(=O)Cn1cnnn1 ZINC001442351329 891487424 /nfs/dbraw/zinc/48/74/24/891487424.db2.gz MOUGNGLKWHJBGK-UHFFFAOYSA-N 1 2 297.363 -1.412 20 0 CAADLO CC(C)N(C)C(=O)C[N@@H+](C)CCNC(=O)Cn1cnnn1 ZINC001442351329 891487432 /nfs/dbraw/zinc/48/74/32/891487432.db2.gz MOUGNGLKWHJBGK-UHFFFAOYSA-N 1 2 297.363 -1.412 20 0 CAADLO CNC(=O)NCC(=O)NCC[N@H+](C)Cc1ccnn1C ZINC001442409041 891491579 /nfs/dbraw/zinc/49/15/79/891491579.db2.gz KPQIKQWXPKDGOF-UHFFFAOYSA-N 1 2 282.348 -1.103 20 0 CAADLO CNC(=O)NCC(=O)NCC[N@@H+](C)Cc1ccnn1C ZINC001442409041 891491586 /nfs/dbraw/zinc/49/15/86/891491586.db2.gz KPQIKQWXPKDGOF-UHFFFAOYSA-N 1 2 282.348 -1.103 20 0 CAADLO CNC(=O)C[N@H+](C)CCNC(=O)c1cc(OC)ncn1 ZINC001442402084 891492216 /nfs/dbraw/zinc/49/22/16/891492216.db2.gz QMDOYUIATYKCMM-UHFFFAOYSA-N 1 2 281.316 -1.107 20 0 CAADLO CNC(=O)C[N@@H+](C)CCNC(=O)c1cc(OC)ncn1 ZINC001442402084 891492228 /nfs/dbraw/zinc/49/22/28/891492228.db2.gz QMDOYUIATYKCMM-UHFFFAOYSA-N 1 2 281.316 -1.107 20 0 CAADLO C[N@H+](CCNC(=O)CCn1ccccc1=O)CC(N)=O ZINC001442407907 891492600 /nfs/dbraw/zinc/49/26/00/891492600.db2.gz IEJLQKCTQXKMCP-UHFFFAOYSA-N 1 2 280.328 -1.228 20 0 CAADLO C[N@@H+](CCNC(=O)CCn1ccccc1=O)CC(N)=O ZINC001442407907 891492608 /nfs/dbraw/zinc/49/26/08/891492608.db2.gz IEJLQKCTQXKMCP-UHFFFAOYSA-N 1 2 280.328 -1.228 20 0 CAADLO CCCNC(=O)C[N@H+](C)CCNC(=O)[C@H]1COC(=O)N1 ZINC001442391514 891492971 /nfs/dbraw/zinc/49/29/71/891492971.db2.gz XWTNRGHBLJPFPQ-SECBINFHSA-N 1 2 286.332 -1.331 20 0 CAADLO CCCNC(=O)C[N@@H+](C)CCNC(=O)[C@H]1COC(=O)N1 ZINC001442391514 891492978 /nfs/dbraw/zinc/49/29/78/891492978.db2.gz XWTNRGHBLJPFPQ-SECBINFHSA-N 1 2 286.332 -1.331 20 0 CAADLO Cn1[nH]c(C[N@H+](C)CCNC(=O)[C@]23C[C@H]2COC3)nc1=O ZINC001442414660 891494279 /nfs/dbraw/zinc/49/42/79/891494279.db2.gz QQKCYJSKJZVLEA-ZANVPECISA-N 1 2 295.343 -1.307 20 0 CAADLO Cn1[nH]c(C[N@@H+](C)CCNC(=O)[C@]23C[C@H]2COC3)nc1=O ZINC001442414660 891494289 /nfs/dbraw/zinc/49/42/89/891494289.db2.gz QQKCYJSKJZVLEA-ZANVPECISA-N 1 2 295.343 -1.307 20 0 CAADLO COCCn1ccc(C(=O)NCC[N@H+](C)CC(N)=O)n1 ZINC001442459799 891494659 /nfs/dbraw/zinc/49/46/59/891494659.db2.gz BSYJTEXKRFXCTP-UHFFFAOYSA-N 1 2 283.332 -1.324 20 0 CAADLO COCCn1ccc(C(=O)NCC[N@@H+](C)CC(N)=O)n1 ZINC001442459799 891494668 /nfs/dbraw/zinc/49/46/68/891494668.db2.gz BSYJTEXKRFXCTP-UHFFFAOYSA-N 1 2 283.332 -1.324 20 0 CAADLO CNC(=O)C[N@H+](C)CCNC(=O)[C@H]1CCCC(=O)N1 ZINC001442415920 891494825 /nfs/dbraw/zinc/49/48/25/891494825.db2.gz AHNYBLBJMPBSTF-SECBINFHSA-N 1 2 270.333 -1.551 20 0 CAADLO CNC(=O)C[N@@H+](C)CCNC(=O)[C@H]1CCCC(=O)N1 ZINC001442415920 891494833 /nfs/dbraw/zinc/49/48/33/891494833.db2.gz AHNYBLBJMPBSTF-SECBINFHSA-N 1 2 270.333 -1.551 20 0 CAADLO CNC(=O)C[N@H+](C)CCNC(=O)COCc1nccn1C ZINC001442416373 891495306 /nfs/dbraw/zinc/49/53/06/891495306.db2.gz CCIDVJCTWPEZJB-UHFFFAOYSA-N 1 2 297.359 -1.269 20 0 CAADLO CNC(=O)C[N@@H+](C)CCNC(=O)COCc1nccn1C ZINC001442416373 891495314 /nfs/dbraw/zinc/49/53/14/891495314.db2.gz CCIDVJCTWPEZJB-UHFFFAOYSA-N 1 2 297.359 -1.269 20 0 CAADLO CNC(=O)C[N@H+](C)CCNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001442491333 891495549 /nfs/dbraw/zinc/49/55/49/891495549.db2.gz SDPUJTDFICSZNI-MRVPVSSYSA-N 1 2 271.321 -2.196 20 0 CAADLO CNC(=O)C[N@@H+](C)CCNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001442491333 891495554 /nfs/dbraw/zinc/49/55/54/891495554.db2.gz SDPUJTDFICSZNI-MRVPVSSYSA-N 1 2 271.321 -2.196 20 0 CAADLO CCO[C@@H](C(=O)NCC[N@H+](C)CC(N)=O)[C@H]1CCOC1 ZINC001442488437 891495972 /nfs/dbraw/zinc/49/59/72/891495972.db2.gz NWULAFCGJKGLTK-CMPLNLGQSA-N 1 2 287.360 -1.039 20 0 CAADLO CCO[C@@H](C(=O)NCC[N@@H+](C)CC(N)=O)[C@H]1CCOC1 ZINC001442488437 891495980 /nfs/dbraw/zinc/49/59/80/891495980.db2.gz NWULAFCGJKGLTK-CMPLNLGQSA-N 1 2 287.360 -1.039 20 0 CAADLO CCN(C)C(=O)C[N@H+](C)CCNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001442491733 891496137 /nfs/dbraw/zinc/49/61/37/891496137.db2.gz USBRTTAATNUQKB-JTQLQIEISA-N 1 2 299.375 -1.464 20 0 CAADLO CCN(C)C(=O)C[N@@H+](C)CCNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001442491733 891496146 /nfs/dbraw/zinc/49/61/46/891496146.db2.gz USBRTTAATNUQKB-JTQLQIEISA-N 1 2 299.375 -1.464 20 0 CAADLO C[N@H+](CCNC(=O)C[C@H]1CCCC(=O)N1)CC(N)=O ZINC001442475281 891496455 /nfs/dbraw/zinc/49/64/55/891496455.db2.gz VBNPTQXUNDIMJI-SECBINFHSA-N 1 2 270.333 -1.422 20 0 CAADLO C[N@@H+](CCNC(=O)C[C@H]1CCCC(=O)N1)CC(N)=O ZINC001442475281 891496459 /nfs/dbraw/zinc/49/64/59/891496459.db2.gz VBNPTQXUNDIMJI-SECBINFHSA-N 1 2 270.333 -1.422 20 0 CAADLO Cn1nccc1COCC(=O)NCC[N@H+](C)CC(N)=O ZINC001442425817 891496592 /nfs/dbraw/zinc/49/65/92/891496592.db2.gz SSLPUHHABHJFNA-UHFFFAOYSA-N 1 2 283.332 -1.530 20 0 CAADLO Cn1nccc1COCC(=O)NCC[N@@H+](C)CC(N)=O ZINC001442425817 891496600 /nfs/dbraw/zinc/49/66/00/891496600.db2.gz SSLPUHHABHJFNA-UHFFFAOYSA-N 1 2 283.332 -1.530 20 0 CAADLO C[N@H+](CCNC(=O)Cn1ccc(=O)[nH]c1=O)CC(N)=O ZINC001442471263 891497219 /nfs/dbraw/zinc/49/72/19/891497219.db2.gz YUKGSSWYFJWIOA-UHFFFAOYSA-N 1 2 283.288 -2.518 20 0 CAADLO C[N@@H+](CCNC(=O)Cn1ccc(=O)[nH]c1=O)CC(N)=O ZINC001442471263 891497229 /nfs/dbraw/zinc/49/72/29/891497229.db2.gz YUKGSSWYFJWIOA-UHFFFAOYSA-N 1 2 283.288 -2.518 20 0 CAADLO Cn1nnc(C(=O)NCC[N@H+](C)CC(=O)N2CCC2)n1 ZINC001442485931 891497251 /nfs/dbraw/zinc/49/72/51/891497251.db2.gz KSWPTCFDHPTZCK-UHFFFAOYSA-N 1 2 281.320 -1.896 20 0 CAADLO Cn1nnc(C(=O)NCC[N@@H+](C)CC(=O)N2CCC2)n1 ZINC001442485931 891497259 /nfs/dbraw/zinc/49/72/59/891497259.db2.gz KSWPTCFDHPTZCK-UHFFFAOYSA-N 1 2 281.320 -1.896 20 0 CAADLO CNC(=O)C[N@H+](C)CCNC(=O)c1cnn(C)c1OC ZINC001442598856 891498820 /nfs/dbraw/zinc/49/88/20/891498820.db2.gz XIPMPNMGMXTSEC-UHFFFAOYSA-N 1 2 283.332 -1.164 20 0 CAADLO CNC(=O)C[N@@H+](C)CCNC(=O)c1cnn(C)c1OC ZINC001442598856 891498826 /nfs/dbraw/zinc/49/88/26/891498826.db2.gz XIPMPNMGMXTSEC-UHFFFAOYSA-N 1 2 283.332 -1.164 20 0 CAADLO C[N@H+](CCNC(=O)[C@@H]1CCC[C@@H](C(N)=O)C1)CC(N)=O ZINC001442538579 891499309 /nfs/dbraw/zinc/49/93/09/891499309.db2.gz QMRITXSUVKLTFA-NXEZZACHSA-N 1 2 284.360 -1.189 20 0 CAADLO C[N@@H+](CCNC(=O)[C@@H]1CCC[C@@H](C(N)=O)C1)CC(N)=O ZINC001442538579 891499321 /nfs/dbraw/zinc/49/93/21/891499321.db2.gz QMRITXSUVKLTFA-NXEZZACHSA-N 1 2 284.360 -1.189 20 0 CAADLO CCNC(=O)C[N@H+](C)CCNC(=O)[C@H]1CNC(=O)N1 ZINC001442505893 891499664 /nfs/dbraw/zinc/49/96/64/891499664.db2.gz NVYXOMMIWRGCHL-MRVPVSSYSA-N 1 2 271.321 -2.148 20 0 CAADLO CCNC(=O)C[N@@H+](C)CCNC(=O)[C@H]1CNC(=O)N1 ZINC001442505893 891499670 /nfs/dbraw/zinc/49/96/70/891499670.db2.gz NVYXOMMIWRGCHL-MRVPVSSYSA-N 1 2 271.321 -2.148 20 0 CAADLO CC(C)NC(=O)C[N@H+](C)CCNC(=O)CCn1cnnn1 ZINC001442560137 891500179 /nfs/dbraw/zinc/50/01/79/891500179.db2.gz XMIPCPFYWKSECJ-UHFFFAOYSA-N 1 2 297.363 -1.364 20 0 CAADLO CC(C)NC(=O)C[N@@H+](C)CCNC(=O)CCn1cnnn1 ZINC001442560137 891500184 /nfs/dbraw/zinc/50/01/84/891500184.db2.gz XMIPCPFYWKSECJ-UHFFFAOYSA-N 1 2 297.363 -1.364 20 0 CAADLO CCNC(=O)C[N@H+](C)CCNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001442512429 891500520 /nfs/dbraw/zinc/50/05/20/891500520.db2.gz KUECHBQRLIEZFL-BDAKNGLRSA-N 1 2 270.333 -1.708 20 0 CAADLO CCNC(=O)C[N@@H+](C)CCNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001442512429 891500526 /nfs/dbraw/zinc/50/05/26/891500526.db2.gz KUECHBQRLIEZFL-BDAKNGLRSA-N 1 2 270.333 -1.708 20 0 CAADLO CN(C)C(=O)C[N@H+](C)CCNC(=O)CCc1cnn(C)n1 ZINC001442514083 891500589 /nfs/dbraw/zinc/50/05/89/891500589.db2.gz ORDXNERPIRJUTC-UHFFFAOYSA-N 1 2 296.375 -1.116 20 0 CAADLO CN(C)C(=O)C[N@@H+](C)CCNC(=O)CCc1cnn(C)n1 ZINC001442514083 891500607 /nfs/dbraw/zinc/50/06/07/891500607.db2.gz ORDXNERPIRJUTC-UHFFFAOYSA-N 1 2 296.375 -1.116 20 0 CAADLO Cn1cc(C(=O)NCC[N@H+](C)CC(N)=O)c(=O)n(C)c1=O ZINC001442542482 891501020 /nfs/dbraw/zinc/50/10/20/891501020.db2.gz NNDKNVLECHKQRU-UHFFFAOYSA-N 1 2 297.315 -2.769 20 0 CAADLO Cn1cc(C(=O)NCC[N@@H+](C)CC(N)=O)c(=O)n(C)c1=O ZINC001442542482 891501027 /nfs/dbraw/zinc/50/10/27/891501027.db2.gz NNDKNVLECHKQRU-UHFFFAOYSA-N 1 2 297.315 -2.769 20 0 CAADLO CNC(=O)NC(=O)[C@@H](C)[N@H+](C)CCNC(=O)c1nnc[nH]1 ZINC001442549479 891501081 /nfs/dbraw/zinc/50/10/81/891501081.db2.gz LMVUREJVYIHLJF-SSDOTTSWSA-N 1 2 297.319 -1.690 20 0 CAADLO CNC(=O)NC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)c1nnc[nH]1 ZINC001442549479 891501085 /nfs/dbraw/zinc/50/10/85/891501085.db2.gz LMVUREJVYIHLJF-SSDOTTSWSA-N 1 2 297.319 -1.690 20 0 CAADLO C[N@H+](CCNC(=O)[C@@H]1CCC[C@H](C(N)=O)C1)CC(N)=O ZINC001442538581 891501308 /nfs/dbraw/zinc/50/13/08/891501308.db2.gz QMRITXSUVKLTFA-VHSXEESVSA-N 1 2 284.360 -1.189 20 0 CAADLO C[N@@H+](CCNC(=O)[C@@H]1CCC[C@H](C(N)=O)C1)CC(N)=O ZINC001442538581 891501314 /nfs/dbraw/zinc/50/13/14/891501314.db2.gz QMRITXSUVKLTFA-VHSXEESVSA-N 1 2 284.360 -1.189 20 0 CAADLO CCNC(=O)C[N@H+](C)CCNC(=O)[C@@H]1CNC(=O)N1 ZINC001442505895 891501416 /nfs/dbraw/zinc/50/14/16/891501416.db2.gz NVYXOMMIWRGCHL-QMMMGPOBSA-N 1 2 271.321 -2.148 20 0 CAADLO CCNC(=O)C[N@@H+](C)CCNC(=O)[C@@H]1CNC(=O)N1 ZINC001442505895 891501421 /nfs/dbraw/zinc/50/14/21/891501421.db2.gz NVYXOMMIWRGCHL-QMMMGPOBSA-N 1 2 271.321 -2.148 20 0 CAADLO CC[C@H](C(=O)NCC[N@H+](C)CC(N)=O)N1CCCC1=O ZINC001442615287 891502680 /nfs/dbraw/zinc/50/26/80/891502680.db2.gz MVBGZAKOXWTMFK-SNVBAGLBSA-N 1 2 284.360 -1.079 20 0 CAADLO CC[C@H](C(=O)NCC[N@@H+](C)CC(N)=O)N1CCCC1=O ZINC001442615287 891502686 /nfs/dbraw/zinc/50/26/86/891502686.db2.gz MVBGZAKOXWTMFK-SNVBAGLBSA-N 1 2 284.360 -1.079 20 0 CAADLO CC[N@H+](CCNC(=O)c1cc(=O)c(OC)c[nH]1)CC(N)=O ZINC001442691723 891502730 /nfs/dbraw/zinc/50/27/30/891502730.db2.gz ORYYLORXACWCAZ-UHFFFAOYSA-N 1 2 296.327 -1.080 20 0 CAADLO CC[N@@H+](CCNC(=O)c1cc(=O)c(OC)c[nH]1)CC(N)=O ZINC001442691723 891502735 /nfs/dbraw/zinc/50/27/35/891502735.db2.gz ORYYLORXACWCAZ-UHFFFAOYSA-N 1 2 296.327 -1.080 20 0 CAADLO Cc1nonc1C(=O)NCC[N@@H+](C)Cc1nc(=O)n(C)[nH]1 ZINC001442622135 891503178 /nfs/dbraw/zinc/50/31/78/891503178.db2.gz VAPBWGIWLUSMHL-UHFFFAOYSA-N 1 2 295.303 -1.338 20 0 CAADLO Cc1nonc1C(=O)NCC[N@H+](C)Cc1nc(=O)n(C)[nH]1 ZINC001442622135 891503186 /nfs/dbraw/zinc/50/31/86/891503186.db2.gz VAPBWGIWLUSMHL-UHFFFAOYSA-N 1 2 295.303 -1.338 20 0 CAADLO NC(=O)NC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCO1 ZINC001442768710 891507854 /nfs/dbraw/zinc/50/78/54/891507854.db2.gz WHTDJSZCQKHZTN-ZJUUUORDSA-N 1 2 298.343 -1.059 20 0 CAADLO NC(=O)NC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCO1 ZINC001442768710 891507866 /nfs/dbraw/zinc/50/78/66/891507866.db2.gz WHTDJSZCQKHZTN-ZJUUUORDSA-N 1 2 298.343 -1.059 20 0 CAADLO NC(=O)NC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCO1 ZINC001442768696 891508197 /nfs/dbraw/zinc/50/81/97/891508197.db2.gz WHTDJSZCQKHZTN-NXEZZACHSA-N 1 2 298.343 -1.059 20 0 CAADLO NC(=O)NC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCO1 ZINC001442768696 891508211 /nfs/dbraw/zinc/50/82/11/891508211.db2.gz WHTDJSZCQKHZTN-NXEZZACHSA-N 1 2 298.343 -1.059 20 0 CAADLO NC(=O)NC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCO1 ZINC001442768701 891508913 /nfs/dbraw/zinc/50/89/13/891508913.db2.gz WHTDJSZCQKHZTN-UWVGGRQHSA-N 1 2 298.343 -1.059 20 0 CAADLO NC(=O)NC(=O)C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCO1 ZINC001442768701 891508917 /nfs/dbraw/zinc/50/89/17/891508917.db2.gz WHTDJSZCQKHZTN-UWVGGRQHSA-N 1 2 298.343 -1.059 20 0 CAADLO NC(=O)NC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCO1 ZINC001442768706 891509322 /nfs/dbraw/zinc/50/93/22/891509322.db2.gz WHTDJSZCQKHZTN-VHSXEESVSA-N 1 2 298.343 -1.059 20 0 CAADLO NC(=O)NC(=O)C[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCO1 ZINC001442768706 891509326 /nfs/dbraw/zinc/50/93/26/891509326.db2.gz WHTDJSZCQKHZTN-VHSXEESVSA-N 1 2 298.343 -1.059 20 0 CAADLO CN(CC[NH+]1CCN(CCF)CC1)C(=O)Cn1cnnn1 ZINC001443275651 891518085 /nfs/dbraw/zinc/51/80/85/891518085.db2.gz NCRWLIVZJPYYJZ-UHFFFAOYSA-N 1 2 299.354 -1.281 20 0 CAADLO Cn1c[nH+]cc1CCC(=O)N(CC(N)=O)CC(N)=O ZINC001443294857 891518746 /nfs/dbraw/zinc/51/87/46/891518746.db2.gz PXSONTXYGQJCKR-UHFFFAOYSA-N 1 2 267.289 -1.848 20 0 CAADLO CNC(=O)C[N@@H+]1CCC[C@H](NC(=O)CNC(=O)NC)C1 ZINC001443440041 891522286 /nfs/dbraw/zinc/52/22/86/891522286.db2.gz KZTUBQKBWTVADC-VIFPVBQESA-N 1 2 285.348 -1.758 20 0 CAADLO CNC(=O)C[N@H+]1CCC[C@H](NC(=O)CNC(=O)NC)C1 ZINC001443440041 891522296 /nfs/dbraw/zinc/52/22/96/891522296.db2.gz KZTUBQKBWTVADC-VIFPVBQESA-N 1 2 285.348 -1.758 20 0 CAADLO COCC[NH+]1CC(NC(=O)C(C)(C)NS(C)(=O)=O)C1 ZINC001443522382 891528336 /nfs/dbraw/zinc/52/83/36/891528336.db2.gz KZYRFRFUNMFTRW-UHFFFAOYSA-N 1 2 293.389 -1.239 20 0 CAADLO CC(=O)NCC(=O)NCC(=O)NC1C[NH+](C[C@H](C)O)C1 ZINC001443487510 891529177 /nfs/dbraw/zinc/52/91/77/891529177.db2.gz KIAINPNLUBNDEQ-QMMMGPOBSA-N 1 2 286.332 -2.580 20 0 CAADLO CC(C)NC(=O)C[NH+]1CC(CNC(=O)[C@H]2COC(=O)N2)C1 ZINC001443586500 891530339 /nfs/dbraw/zinc/53/03/39/891530339.db2.gz XNPQMEKVDXAWFX-SNVBAGLBSA-N 1 2 298.343 -1.333 20 0 CAADLO CCC(=O)N[C@H](C)C(=O)NCC1C[NH+](CC(=O)NC)C1 ZINC001443575069 891530541 /nfs/dbraw/zinc/53/05/41/891530541.db2.gz AVMSEMPYKYVLSK-SECBINFHSA-N 1 2 284.360 -1.305 20 0 CAADLO C[C@@H]1OC(=O)N[C@@H]1C(=O)N1CCC[N@H+](CC(N)=O)CC1 ZINC001443566279 891530806 /nfs/dbraw/zinc/53/08/06/891530806.db2.gz FZCVHTWQUMUMJC-WPRPVWTQSA-N 1 2 284.316 -1.497 20 0 CAADLO C[C@@H]1OC(=O)N[C@@H]1C(=O)N1CCC[N@@H+](CC(N)=O)CC1 ZINC001443566279 891530818 /nfs/dbraw/zinc/53/08/18/891530818.db2.gz FZCVHTWQUMUMJC-WPRPVWTQSA-N 1 2 284.316 -1.497 20 0 CAADLO C[C@@H](C(=O)NC(N)=O)[NH+]1CC(CNC(=O)c2ccn[nH]2)C1 ZINC001443561000 891531071 /nfs/dbraw/zinc/53/10/71/891531071.db2.gz CNCZZKBXPSKIKO-ZETCQYMHSA-N 1 2 294.315 -1.345 20 0 CAADLO CNC(=O)NC(=O)C[NH+]1CC(CNC(=O)C(F)F)C1 ZINC001443560172 891531654 /nfs/dbraw/zinc/53/16/54/891531654.db2.gz OCYNAWYUYSVXSY-UHFFFAOYSA-N 1 2 278.259 -1.245 20 0 CAADLO C[C@H]1OC(=O)N[C@H]1C(=O)N1CCC[N@H+](CC(N)=O)CC1 ZINC001443566270 891531750 /nfs/dbraw/zinc/53/17/50/891531750.db2.gz FZCVHTWQUMUMJC-PSASIEDQSA-N 1 2 284.316 -1.497 20 0 CAADLO C[C@H]1OC(=O)N[C@H]1C(=O)N1CCC[N@@H+](CC(N)=O)CC1 ZINC001443566270 891531758 /nfs/dbraw/zinc/53/17/58/891531758.db2.gz FZCVHTWQUMUMJC-PSASIEDQSA-N 1 2 284.316 -1.497 20 0 CAADLO COC(=O)NCC(=O)NCC1C[NH+](CC(=O)N(C)C)C1 ZINC001443566832 891531909 /nfs/dbraw/zinc/53/19/09/891531909.db2.gz BHAQHPDUEWBIIP-UHFFFAOYSA-N 1 2 286.332 -1.521 20 0 CAADLO Cn1nccc1CC[NH+]1CC(NC(=O)CCNC(N)=O)C1 ZINC001443546354 891531970 /nfs/dbraw/zinc/53/19/70/891531970.db2.gz FNQZEICIQKCMQV-UHFFFAOYSA-N 1 2 294.359 -1.179 20 0 CAADLO CCNC(=O)C[NH+]1CC(CNC(=O)[C@@H]2COC(=O)N2)C1 ZINC001443584374 891531994 /nfs/dbraw/zinc/53/19/94/891531994.db2.gz SLAFUSGNLZBJGY-VIFPVBQESA-N 1 2 284.316 -1.721 20 0 CAADLO CS[C@@H](C)C(=O)NCC1C[NH+](CC(=O)NC(N)=O)C1 ZINC001443572359 891532106 /nfs/dbraw/zinc/53/21/06/891532106.db2.gz QMQJUNKISQTZDI-ZETCQYMHSA-N 1 2 288.373 -1.019 20 0 CAADLO CNC(=O)C[NH+]1CC(CNC(=O)Cc2nnc(C)[nH]2)C1 ZINC001443579280 891532226 /nfs/dbraw/zinc/53/22/26/891532226.db2.gz KARNBROZQASKHR-UHFFFAOYSA-N 1 2 280.332 -1.550 20 0 CAADLO CO[C@@H](C(=O)NCC1C[NH+](CC(N)=O)C1)[C@@H]1CCOC1 ZINC001443613170 891533874 /nfs/dbraw/zinc/53/38/74/891533874.db2.gz AAGBWVPSJNZQBO-ZYHUDNBSSA-N 1 2 285.344 -1.429 20 0 CAADLO C[C@@H](C(N)=O)[NH+]1CC(CNC(=O)CCCC(N)=O)C1 ZINC001443663668 891534496 /nfs/dbraw/zinc/53/44/96/891534496.db2.gz GALQXJGBKCYWTP-QMMMGPOBSA-N 1 2 270.333 -1.436 20 0 CAADLO C[C@H]([C@H](C)NC(=O)C1(O)COC1)[NH+]1CCOCC1 ZINC001443683505 891534524 /nfs/dbraw/zinc/53/45/24/891534524.db2.gz ZOLRDNIYKAQRGU-VHSXEESVSA-N 1 2 258.318 -1.027 20 0 CAADLO CNC(=O)[C@H](C)[NH+]1CC(CNC(=O)Cc2nc[nH]n2)C1 ZINC001443627758 891534546 /nfs/dbraw/zinc/53/45/46/891534546.db2.gz IOMDIYNERRPWEB-QMMMGPOBSA-N 1 2 280.332 -1.470 20 0 CAADLO CO[C@H](C(=O)NCC1C[NH+](CC(N)=O)C1)[C@H]1CCOC1 ZINC001443613160 891534676 /nfs/dbraw/zinc/53/46/76/891534676.db2.gz AAGBWVPSJNZQBO-JQWIXIFHSA-N 1 2 285.344 -1.429 20 0 CAADLO CNC(=O)C[NH+]1CC(CNC(=O)C[C@H]2CCC(=O)N2)C1 ZINC001443620502 891534687 /nfs/dbraw/zinc/53/46/87/891534687.db2.gz ZOXUFTSXENSXBT-SNVBAGLBSA-N 1 2 282.344 -1.551 20 0 CAADLO CCNC(=O)C[NH+]1CC(CNC(=O)c2cn(C)c(=O)[nH]2)C1 ZINC001443608097 891534952 /nfs/dbraw/zinc/53/49/52/891534952.db2.gz IHORAPQWZFSVLH-UHFFFAOYSA-N 1 2 295.343 -1.077 20 0 CAADLO CCCNC(=O)C[NH+]1CC(CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001443623659 891535000 /nfs/dbraw/zinc/53/50/00/891535000.db2.gz ONTFXDOCQPITBF-SNVBAGLBSA-N 1 2 297.359 -1.758 20 0 CAADLO Cn1c(=O)ccn(CC(=O)NCC2C[NH+](CCF)C2)c1=O ZINC001443595721 891535417 /nfs/dbraw/zinc/53/54/17/891535417.db2.gz FXGIBUPZSVOKHZ-UHFFFAOYSA-N 1 2 298.318 -1.436 20 0 CAADLO CCNC(=O)C[NH+]1CC(CNC(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC001443604070 891535840 /nfs/dbraw/zinc/53/58/40/891535840.db2.gz VQNYWARNGUZSCY-JTQLQIEISA-N 1 2 297.359 -1.806 20 0 CAADLO COCC1(C(=O)NCC2C[NH+](CC(N)=O)C2)CCOCC1 ZINC001443603362 891536317 /nfs/dbraw/zinc/53/63/17/891536317.db2.gz ZGZWBQSQVWWOPH-UHFFFAOYSA-N 1 2 299.371 -1.037 20 0 CAADLO CNC(=O)[C@@H](C)[NH+]1CC(CNC(=O)Cc2nc[nH]n2)C1 ZINC001443627756 891536523 /nfs/dbraw/zinc/53/65/23/891536523.db2.gz IOMDIYNERRPWEB-MRVPVSSYSA-N 1 2 280.332 -1.470 20 0 CAADLO CO[C@@H](C)C(=O)N[C@H]1CC[N@@H+]([C@H](C)C(=O)NC(N)=O)C1 ZINC001443697373 891537159 /nfs/dbraw/zinc/53/71/59/891537159.db2.gz ZOMOBYSMAQHTTR-VGMNWLOBSA-N 1 2 286.332 -1.205 20 0 CAADLO CO[C@@H](C)C(=O)N[C@H]1CC[N@H+]([C@H](C)C(=O)NC(N)=O)C1 ZINC001443697373 891537169 /nfs/dbraw/zinc/53/71/69/891537169.db2.gz ZOMOBYSMAQHTTR-VGMNWLOBSA-N 1 2 286.332 -1.205 20 0 CAADLO NC(=O)NC(=O)C[N@@H+]1CC[C@H](NC(=O)C2=COCCO2)C1 ZINC001443697889 891537826 /nfs/dbraw/zinc/53/78/26/891537826.db2.gz WKPSFLNYIHVGPE-QMMMGPOBSA-N 1 2 298.299 -1.740 20 0 CAADLO NC(=O)NC(=O)C[N@H+]1CC[C@H](NC(=O)C2=COCCO2)C1 ZINC001443697889 891537835 /nfs/dbraw/zinc/53/78/35/891537835.db2.gz WKPSFLNYIHVGPE-QMMMGPOBSA-N 1 2 298.299 -1.740 20 0 CAADLO C[C@H](NC(N)=O)C(=O)N(C)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001443816552 891537926 /nfs/dbraw/zinc/53/79/26/891537926.db2.gz WUUXODQACIOOTN-YUMQZZPRSA-N 1 2 271.321 -1.939 20 0 CAADLO C[C@H](NC(N)=O)C(=O)N(C)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001443816552 891537937 /nfs/dbraw/zinc/53/79/37/891537937.db2.gz WUUXODQACIOOTN-YUMQZZPRSA-N 1 2 271.321 -1.939 20 0 CAADLO COC[C@H](OC)C(=O)N(C)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001443822912 891538011 /nfs/dbraw/zinc/53/80/11/891538011.db2.gz SALCDQJPKAVRTL-UWVGGRQHSA-N 1 2 273.333 -1.334 20 0 CAADLO COC[C@H](OC)C(=O)N(C)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001443822912 891538031 /nfs/dbraw/zinc/53/80/31/891538031.db2.gz SALCDQJPKAVRTL-UWVGGRQHSA-N 1 2 273.333 -1.334 20 0 CAADLO COC[C@@H](OC)C(=O)N(C)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001443822880 891538135 /nfs/dbraw/zinc/53/81/35/891538135.db2.gz SALCDQJPKAVRTL-NXEZZACHSA-N 1 2 273.333 -1.334 20 0 CAADLO COC[C@@H](OC)C(=O)N(C)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001443822880 891538145 /nfs/dbraw/zinc/53/81/45/891538145.db2.gz SALCDQJPKAVRTL-NXEZZACHSA-N 1 2 273.333 -1.334 20 0 CAADLO CN(C(=O)[C@@H]1CCOC1)[C@H]1CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001443819098 891538337 /nfs/dbraw/zinc/53/83/37/891538337.db2.gz RNRFRTMJONKKQC-ZJUUUORDSA-N 1 2 298.343 -1.250 20 0 CAADLO CN(C(=O)[C@@H]1CCOC1)[C@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001443819098 891538350 /nfs/dbraw/zinc/53/83/50/891538350.db2.gz RNRFRTMJONKKQC-ZJUUUORDSA-N 1 2 298.343 -1.250 20 0 CAADLO CN(C(=O)[C@@H]1CCOC1)[C@@H]1CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001443819053 891538826 /nfs/dbraw/zinc/53/88/26/891538826.db2.gz RNRFRTMJONKKQC-NXEZZACHSA-N 1 2 298.343 -1.250 20 0 CAADLO CN(C(=O)[C@@H]1CCOC1)[C@@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001443819053 891538829 /nfs/dbraw/zinc/53/88/29/891538829.db2.gz RNRFRTMJONKKQC-NXEZZACHSA-N 1 2 298.343 -1.250 20 0 CAADLO CN(C(=O)[C@H]1CCOC1)[C@H]1CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001443819068 891538874 /nfs/dbraw/zinc/53/88/74/891538874.db2.gz RNRFRTMJONKKQC-UWVGGRQHSA-N 1 2 298.343 -1.250 20 0 CAADLO CN(C(=O)[C@H]1CCOC1)[C@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001443819068 891538883 /nfs/dbraw/zinc/53/88/83/891538883.db2.gz RNRFRTMJONKKQC-UWVGGRQHSA-N 1 2 298.343 -1.250 20 0 CAADLO CCN(C(=O)CN(C)C(C)=O)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001443833456 891539239 /nfs/dbraw/zinc/53/92/39/891539239.db2.gz IVHOBZURMJXXAB-LLVKDONJSA-N 1 2 284.360 -1.127 20 0 CAADLO CCN(C(=O)CN(C)C(C)=O)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001443833456 891539231 /nfs/dbraw/zinc/53/92/31/891539231.db2.gz IVHOBZURMJXXAB-LLVKDONJSA-N 1 2 284.360 -1.127 20 0 CAADLO CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCC(=O)N2C)C1 ZINC001443763323 891539903 /nfs/dbraw/zinc/53/99/03/891539903.db2.gz MNTOQUAXDOKEFG-GHMZBOCLSA-N 1 2 296.371 -1.066 20 0 CAADLO CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CCC(=O)N2C)C1 ZINC001443763323 891539916 /nfs/dbraw/zinc/53/99/16/891539916.db2.gz MNTOQUAXDOKEFG-GHMZBOCLSA-N 1 2 296.371 -1.066 20 0 CAADLO CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001443765937 891540010 /nfs/dbraw/zinc/54/00/10/891540010.db2.gz LKIWSSAPQKXCIP-BDAKNGLRSA-N 1 2 283.332 -2.006 20 0 CAADLO CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001443765937 891540018 /nfs/dbraw/zinc/54/00/18/891540018.db2.gz LKIWSSAPQKXCIP-BDAKNGLRSA-N 1 2 283.332 -2.006 20 0 CAADLO CO[C@@H](C)C(=O)N(C)[C@@H]1CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001443800447 891540198 /nfs/dbraw/zinc/54/01/98/891540198.db2.gz DNVFVHUGMQEROC-DTWKUNHWSA-N 1 2 286.332 -1.251 20 0 CAADLO CO[C@@H](C)C(=O)N(C)[C@@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001443800447 891540207 /nfs/dbraw/zinc/54/02/07/891540207.db2.gz DNVFVHUGMQEROC-DTWKUNHWSA-N 1 2 286.332 -1.251 20 0 CAADLO CC[C@H](CNC(=O)CNC(=O)NC)[NH2+]Cc1nnn(C)n1 ZINC001443927064 891543999 /nfs/dbraw/zinc/54/39/99/891543999.db2.gz IYKVRVPAVZSEKS-MRVPVSSYSA-N 1 2 298.351 -1.877 20 0 CAADLO COCC(=O)N[C@@H](CO)CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001444189002 891560813 /nfs/dbraw/zinc/56/08/13/891560813.db2.gz QSUDJKCPJQDGNV-MWLCHTKSSA-N 1 2 298.343 -1.172 20 0 CAADLO COCC(=O)N[C@@H](CO)CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001444189002 891560827 /nfs/dbraw/zinc/56/08/27/891560827.db2.gz QSUDJKCPJQDGNV-MWLCHTKSSA-N 1 2 298.343 -1.172 20 0 CAADLO CCOCC(=O)N[C@@H](CO)CNC(=O)Cc1c[nH+]cn1C ZINC001444245824 891564979 /nfs/dbraw/zinc/56/49/79/891564979.db2.gz FMLPMHUZLTUEFI-SNVBAGLBSA-N 1 2 298.343 -1.408 20 0 CAADLO COCC(=O)N[C@H](CO)CNC(=O)CCc1c[nH+]cn1C ZINC001444283023 891566365 /nfs/dbraw/zinc/56/63/65/891566365.db2.gz FTRSDOCCVGXNGW-JTQLQIEISA-N 1 2 298.343 -1.408 20 0 CAADLO O=C(Cc1c[nH]c[nH+]1)NC[C@H](CO)NC(=O)c1ncc[nH]1 ZINC001444367052 891573143 /nfs/dbraw/zinc/57/31/43/891573143.db2.gz SDZAVPRVAYKKPG-SECBINFHSA-N 1 2 292.299 -1.418 20 0 CAADLO CC(C)[C@@H](O)C(=O)N[C@H](CO)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001444348628 891573446 /nfs/dbraw/zinc/57/34/46/891573446.db2.gz BOEIQONJHZERJH-CMPLNLGQSA-N 1 2 298.343 -1.438 20 0 CAADLO CC(C)OCC(=O)N[C@@H](CO)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001444365284 891573971 /nfs/dbraw/zinc/57/39/71/891573971.db2.gz PRQTVUQCWZJPIA-LLVKDONJSA-N 1 2 298.343 -1.030 20 0 CAADLO CCOCC(=O)N[C@H](CO)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001444361519 891574791 /nfs/dbraw/zinc/57/47/91/891574791.db2.gz KVRRUIKFEGLTJQ-JTQLQIEISA-N 1 2 284.316 -1.418 20 0 CAADLO O=C(Cc1c[nH]c[nH+]1)NC[C@H](CO)NC(=O)c1ccn[nH]1 ZINC001444348221 891575261 /nfs/dbraw/zinc/57/52/61/891575261.db2.gz AQGDBCXFUDEEHS-SECBINFHSA-N 1 2 292.299 -1.418 20 0 CAADLO CC(C)OCC(=O)N[C@H](CO)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001444365286 891575297 /nfs/dbraw/zinc/57/52/97/891575297.db2.gz PRQTVUQCWZJPIA-NSHDSACASA-N 1 2 298.343 -1.030 20 0 CAADLO COCCC(=O)N[C@@H](CO)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001444365067 891575637 /nfs/dbraw/zinc/57/56/37/891575637.db2.gz NWLFSMPPMQZFPF-SNVBAGLBSA-N 1 2 284.316 -1.418 20 0 CAADLO CC(=O)N[C@@H](C)C(=O)N1CCC2(C[NH+](CC(N)=O)C2)CC1 ZINC001444544516 891576868 /nfs/dbraw/zinc/57/68/68/891576868.db2.gz KLGMUCAFYXLPOT-JTQLQIEISA-N 1 2 296.371 -1.079 20 0 CAADLO COCC[N@@H+]1CCO[C@H](CNC(=O)CNC(=O)OC)C1 ZINC001444433496 891576996 /nfs/dbraw/zinc/57/69/96/891576996.db2.gz FICPJEVRTKCNCI-SNVBAGLBSA-N 1 2 289.332 -1.194 20 0 CAADLO COCC[N@H+]1CCO[C@H](CNC(=O)CNC(=O)OC)C1 ZINC001444433496 891577008 /nfs/dbraw/zinc/57/70/08/891577008.db2.gz FICPJEVRTKCNCI-SNVBAGLBSA-N 1 2 289.332 -1.194 20 0 CAADLO O=C(CO[C@@H]1CCOC1)NC[C@@H]1C[N@H+](CCO)CCO1 ZINC001444454008 891577179 /nfs/dbraw/zinc/57/71/79/891577179.db2.gz IUSACFWZFKNNHW-VXGBXAGGSA-N 1 2 288.344 -1.399 20 0 CAADLO O=C(CO[C@@H]1CCOC1)NC[C@@H]1C[N@@H+](CCO)CCO1 ZINC001444454008 891577188 /nfs/dbraw/zinc/57/71/88/891577188.db2.gz IUSACFWZFKNNHW-VXGBXAGGSA-N 1 2 288.344 -1.399 20 0 CAADLO CCNC(=O)CCC(=O)NC[C@@H]1C[N@H+](CCO)CCO1 ZINC001444433519 891577271 /nfs/dbraw/zinc/57/72/71/891577271.db2.gz FQTIIAOWNUSKRF-LLVKDONJSA-N 1 2 287.360 -1.288 20 0 CAADLO CCNC(=O)CCC(=O)NC[C@@H]1C[N@@H+](CCO)CCO1 ZINC001444433519 891577275 /nfs/dbraw/zinc/57/72/75/891577275.db2.gz FQTIIAOWNUSKRF-LLVKDONJSA-N 1 2 287.360 -1.288 20 0 CAADLO Cn1ncc(CCC(=O)NC[C@H]2C[N@H+](CCO)CCO2)n1 ZINC001444446521 891577800 /nfs/dbraw/zinc/57/78/00/891577800.db2.gz KKILTZKPVOLEFK-LBPRGKRZSA-N 1 2 297.359 -1.443 20 0 CAADLO Cn1ncc(CCC(=O)NC[C@H]2C[N@@H+](CCO)CCO2)n1 ZINC001444446521 891577809 /nfs/dbraw/zinc/57/78/09/891577809.db2.gz KKILTZKPVOLEFK-LBPRGKRZSA-N 1 2 297.359 -1.443 20 0 CAADLO CC(=O)NC(C)(C)C(=O)NC[C@H]1C[N@H+](CCO)CCO1 ZINC001444469524 891577982 /nfs/dbraw/zinc/57/79/82/891577982.db2.gz MTYUGTUPVSBRAP-NSHDSACASA-N 1 2 287.360 -1.290 20 0 CAADLO CC(=O)NC(C)(C)C(=O)NC[C@H]1C[N@@H+](CCO)CCO1 ZINC001444469524 891577992 /nfs/dbraw/zinc/57/79/92/891577992.db2.gz MTYUGTUPVSBRAP-NSHDSACASA-N 1 2 287.360 -1.290 20 0 CAADLO NC(=O)CN1CCO[C@H](CNC(=O)CCn2cc[nH+]c2)C1 ZINC001444469361 891578711 /nfs/dbraw/zinc/57/87/11/891578711.db2.gz IWANVHMJRYDYMX-LLVKDONJSA-N 1 2 295.343 -1.425 20 0 CAADLO O=C(Cc1nc[nH]n1)NC[C@H]1C[N@H+](CCCO)CCO1 ZINC001444492902 891578841 /nfs/dbraw/zinc/57/88/41/891578841.db2.gz YOCAENCALUJFLS-JTQLQIEISA-N 1 2 283.332 -1.453 20 0 CAADLO O=C(Cc1nc[nH]n1)NC[C@H]1C[N@@H+](CCCO)CCO1 ZINC001444492902 891578849 /nfs/dbraw/zinc/57/88/49/891578849.db2.gz YOCAENCALUJFLS-JTQLQIEISA-N 1 2 283.332 -1.453 20 0 CAADLO C[C@@H](C[NH2+][C@@H]1CCNC1=O)N(C)C(=O)Cc1ncn[nH]1 ZINC001444714237 891586552 /nfs/dbraw/zinc/58/65/52/891586552.db2.gz VIEUFIQFAPQUNF-DTWKUNHWSA-N 1 2 280.332 -1.328 20 0 CAADLO C[C@@H](C[NH2+][C@H]1CCNC1=O)N(C)C(=O)Cc1ncn[nH]1 ZINC001444714242 891586971 /nfs/dbraw/zinc/58/69/71/891586971.db2.gz VIEUFIQFAPQUNF-IUCAKERBSA-N 1 2 280.332 -1.328 20 0 CAADLO C[C@H](C[NH2+][C@@H]1CCNC1=O)N(C)C(=O)Cc1ncn[nH]1 ZINC001444714247 891587664 /nfs/dbraw/zinc/58/76/64/891587664.db2.gz VIEUFIQFAPQUNF-RKDXNWHRSA-N 1 2 280.332 -1.328 20 0 CAADLO CC(C)[C@H](CNC(=O)c1nnc[nH]1)[NH2+]Cc1nnnn1C ZINC001444920489 891589871 /nfs/dbraw/zinc/58/98/71/891589871.db2.gz KBOLFHSZGNVEKX-QMMMGPOBSA-N 1 2 293.335 -1.128 20 0 CAADLO CC(C)[C@H](CNC(=O)c1ncn[nH]1)[NH2+]Cc1nnnn1C ZINC001444920489 891589878 /nfs/dbraw/zinc/58/98/78/891589878.db2.gz KBOLFHSZGNVEKX-QMMMGPOBSA-N 1 2 293.335 -1.128 20 0 CAADLO CC(C)[C@H](CNC(=O)c1nc[nH]n1)[NH2+]Cc1nnnn1C ZINC001444920489 891589887 /nfs/dbraw/zinc/58/98/87/891589887.db2.gz KBOLFHSZGNVEKX-QMMMGPOBSA-N 1 2 293.335 -1.128 20 0 CAADLO CN(CC[N@H+](C)CC(N)=O)C(=O)CN1CCCCC1=O ZINC001445001197 891592606 /nfs/dbraw/zinc/59/26/06/891592606.db2.gz FCQBLZVEHLBEAO-UHFFFAOYSA-N 1 2 284.360 -1.126 20 0 CAADLO CN(CC[N@@H+](C)CC(N)=O)C(=O)CN1CCCCC1=O ZINC001445001197 891592617 /nfs/dbraw/zinc/59/26/17/891592617.db2.gz FCQBLZVEHLBEAO-UHFFFAOYSA-N 1 2 284.360 -1.126 20 0 CAADLO CN(CC[N@H+](C)CC(N)=O)C(=O)[C@@H]1CCC(=O)N1C ZINC001445040114 891593184 /nfs/dbraw/zinc/59/31/84/891593184.db2.gz YHRFPCBKIMFAFW-VIFPVBQESA-N 1 2 270.333 -1.517 20 0 CAADLO CN(CC[N@@H+](C)CC(N)=O)C(=O)[C@@H]1CCC(=O)N1C ZINC001445040114 891593195 /nfs/dbraw/zinc/59/31/95/891593195.db2.gz YHRFPCBKIMFAFW-VIFPVBQESA-N 1 2 270.333 -1.517 20 0 CAADLO CCN1C[C@H](C(=O)N(C)CC[N@H+](C)CC(=O)NC)CC1=O ZINC001444983018 891593340 /nfs/dbraw/zinc/59/33/40/891593340.db2.gz AXAWGHPSSSRSCB-LLVKDONJSA-N 1 2 298.387 -1.009 20 0 CAADLO CCN1C[C@H](C(=O)N(C)CC[N@@H+](C)CC(=O)NC)CC1=O ZINC001444983018 891593348 /nfs/dbraw/zinc/59/33/48/891593348.db2.gz AXAWGHPSSSRSCB-LLVKDONJSA-N 1 2 298.387 -1.009 20 0 CAADLO CN(CC[N@H+](C)Cc1cnnn1C)C(=O)c1nnn(C)n1 ZINC001445039064 891593408 /nfs/dbraw/zinc/59/34/08/891593408.db2.gz RPDVZVBWGVLBPW-UHFFFAOYSA-N 1 2 293.335 -1.457 20 0 CAADLO CN(CC[N@@H+](C)Cc1cnnn1C)C(=O)c1nnn(C)n1 ZINC001445039064 891593417 /nfs/dbraw/zinc/59/34/17/891593417.db2.gz RPDVZVBWGVLBPW-UHFFFAOYSA-N 1 2 293.335 -1.457 20 0 CAADLO COc1cncc(C(=O)N(C)CC[N@H+](C)CC(N)=O)n1 ZINC001445045848 891593682 /nfs/dbraw/zinc/59/36/82/891593682.db2.gz STQSKPSJCVVMOJ-UHFFFAOYSA-N 1 2 281.316 -1.026 20 0 CAADLO COc1cncc(C(=O)N(C)CC[N@@H+](C)CC(N)=O)n1 ZINC001445045848 891593688 /nfs/dbraw/zinc/59/36/88/891593688.db2.gz STQSKPSJCVVMOJ-UHFFFAOYSA-N 1 2 281.316 -1.026 20 0 CAADLO CNC(=O)C[N@H+](C)CCN(C)C(=O)[C@H]1CCC(=O)N1 ZINC001444958511 891594455 /nfs/dbraw/zinc/59/44/55/891594455.db2.gz SNPZDIKSOHXDPV-SECBINFHSA-N 1 2 270.333 -1.599 20 0 CAADLO CNC(=O)C[N@@H+](C)CCN(C)C(=O)[C@H]1CCC(=O)N1 ZINC001444958511 891594468 /nfs/dbraw/zinc/59/44/68/891594468.db2.gz SNPZDIKSOHXDPV-SECBINFHSA-N 1 2 270.333 -1.599 20 0 CAADLO CNC(=O)C[N@H+](C)CCN(C)C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001445056570 891596032 /nfs/dbraw/zinc/59/60/32/891596032.db2.gz WYGMOUZDEHGZIW-QMMMGPOBSA-N 1 2 299.331 -2.279 20 0 CAADLO CNC(=O)C[N@@H+](C)CCN(C)C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001445056570 891596048 /nfs/dbraw/zinc/59/60/48/891596048.db2.gz WYGMOUZDEHGZIW-QMMMGPOBSA-N 1 2 299.331 -2.279 20 0 CAADLO CN(CC[N@H+](C)Cc1cnnn1C)C(=O)Cn1cncn1 ZINC001445076948 891598826 /nfs/dbraw/zinc/59/88/26/891598826.db2.gz OEPDSJWRTYFJLS-UHFFFAOYSA-N 1 2 292.347 -1.003 20 0 CAADLO CN(CC[N@@H+](C)Cc1cnnn1C)C(=O)Cn1cncn1 ZINC001445076948 891598837 /nfs/dbraw/zinc/59/88/37/891598837.db2.gz OEPDSJWRTYFJLS-UHFFFAOYSA-N 1 2 292.347 -1.003 20 0 CAADLO CN(C)c1noc(C[NH2+]C[C@H](O)CNC(=O)C(F)F)n1 ZINC001445102680 891599368 /nfs/dbraw/zinc/59/93/68/891599368.db2.gz BESIWMFVAQSKEU-LURJTMIESA-N 1 2 293.274 -1.033 20 0 CAADLO CN(CC[N@H+](C)CC(N)=O)C(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001445096078 891599807 /nfs/dbraw/zinc/59/98/07/891599807.db2.gz ZCWPGBLNSRMNEB-QMMMGPOBSA-N 1 2 292.361 -2.446 20 0 CAADLO CN(CC[N@@H+](C)CC(N)=O)C(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001445096078 891599816 /nfs/dbraw/zinc/59/98/16/891599816.db2.gz ZCWPGBLNSRMNEB-QMMMGPOBSA-N 1 2 292.361 -2.446 20 0 CAADLO CN(C)c1noc(C[NH2+]C[C@@H](O)CNC(=O)C(F)F)n1 ZINC001445102747 891600273 /nfs/dbraw/zinc/60/02/73/891600273.db2.gz BESIWMFVAQSKEU-ZCFIWIBFSA-N 1 2 293.274 -1.033 20 0 CAADLO Cc1n[nH]c(C(=O)NC[C@H](O)C[NH2+][C@@H]2CCNC2=O)c1C ZINC001445145372 891603412 /nfs/dbraw/zinc/60/34/12/891603412.db2.gz CICLAWZWSUNSFO-NXEZZACHSA-N 1 2 295.343 -1.405 20 0 CAADLO CCn1ncnc1C[NH2+]C[C@H](O)CNC(=O)c1cn[nH]n1 ZINC001445201506 891617390 /nfs/dbraw/zinc/61/73/90/891617390.db2.gz KMPDQZCBJOAKMC-QMMMGPOBSA-N 1 2 294.319 -1.703 20 0 CAADLO CCn1ncnc1C[NH2+]C[C@H](O)CNC(=O)c1cnn[nH]1 ZINC001445201506 891617399 /nfs/dbraw/zinc/61/73/99/891617399.db2.gz KMPDQZCBJOAKMC-QMMMGPOBSA-N 1 2 294.319 -1.703 20 0 CAADLO NC(=O)C[NH2+]C[C@@H](O)CNC(=O)c1[nH]nc2c1CCCC2 ZINC001445192043 891618367 /nfs/dbraw/zinc/61/83/67/891618367.db2.gz CGDLTNNLXWPLLB-MRVPVSSYSA-N 1 2 295.343 -1.546 20 0 CAADLO Cc1conc1C[NH2+]C[C@H](O)CNC(=O)c1nnc[nH]1 ZINC001445259179 891623067 /nfs/dbraw/zinc/62/30/67/891623067.db2.gz UDPNNNNYPGSNSG-QMMMGPOBSA-N 1 2 280.288 -1.018 20 0 CAADLO CCn1cc(C[NH2+]C[C@H](O)CNC(=O)c2nnc[nH]2)nn1 ZINC001445255966 891623355 /nfs/dbraw/zinc/62/33/55/891623355.db2.gz PJFKYDLNLMMGEF-VIFPVBQESA-N 1 2 294.319 -1.703 20 0 CAADLO CCn1cc(C[NH2+]C[C@H](O)CNC(=O)c2ncn[nH]2)nn1 ZINC001445255966 891623365 /nfs/dbraw/zinc/62/33/65/891623365.db2.gz PJFKYDLNLMMGEF-VIFPVBQESA-N 1 2 294.319 -1.703 20 0 CAADLO CCn1cc(C[NH2+]C[C@H](O)CNC(=O)c2nc[nH]n2)nn1 ZINC001445255966 891623371 /nfs/dbraw/zinc/62/33/71/891623371.db2.gz PJFKYDLNLMMGEF-VIFPVBQESA-N 1 2 294.319 -1.703 20 0 CAADLO CCn1cc(C[NH2+]C[C@@H](O)CNC(=O)c2nnc[nH]2)nn1 ZINC001445255963 891626066 /nfs/dbraw/zinc/62/60/66/891626066.db2.gz PJFKYDLNLMMGEF-SECBINFHSA-N 1 2 294.319 -1.703 20 0 CAADLO CCn1cc(C[NH2+]C[C@@H](O)CNC(=O)c2ncn[nH]2)nn1 ZINC001445255963 891626076 /nfs/dbraw/zinc/62/60/76/891626076.db2.gz PJFKYDLNLMMGEF-SECBINFHSA-N 1 2 294.319 -1.703 20 0 CAADLO CCn1cc(C[NH2+]C[C@@H](O)CNC(=O)c2nc[nH]n2)nn1 ZINC001445255963 891626085 /nfs/dbraw/zinc/62/60/85/891626085.db2.gz PJFKYDLNLMMGEF-SECBINFHSA-N 1 2 294.319 -1.703 20 0 CAADLO Cc1nnc(C[NH2+]C[C@@H](C)NC(=O)Cn2cnnn2)o1 ZINC001445334433 891633544 /nfs/dbraw/zinc/63/35/44/891633544.db2.gz WQFJLLGIQILZMF-SSDOTTSWSA-N 1 2 280.292 -1.341 20 0 CAADLO C[C@H](C[NH2+]Cc1csnn1)NC(=O)c1nnn(C)n1 ZINC001445425718 891637851 /nfs/dbraw/zinc/63/78/51/891637851.db2.gz ZRBBQGVXJJXDSW-ZCFIWIBFSA-N 1 2 282.333 -1.030 20 0 CAADLO Cc1nn[nH]c1C(=O)N[C@@H](C)C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001445589137 891643403 /nfs/dbraw/zinc/64/34/03/891643403.db2.gz HETUGGJIQAFPHN-LURJTMIESA-N 1 2 294.319 -1.557 20 0 CAADLO Cc1nnc(C[NH2+]C[C@H](C)NC(=O)[C@H]2CN(C)C(=O)N2)o1 ZINC001445590063 891644128 /nfs/dbraw/zinc/64/41/28/891644128.db2.gz BYFGDUYBSFCZQX-IONNQARKSA-N 1 2 296.331 -1.004 20 0 CAADLO CCc1noc(C[NH2+]C[C@H](C)NC(=O)Cn2ncnn2)n1 ZINC001445547643 891644155 /nfs/dbraw/zinc/64/41/55/891644155.db2.gz PJBQCNVZAOTMNK-QMMMGPOBSA-N 1 2 294.319 -1.087 20 0 CAADLO COCC(=O)N1C[C@@H](NC(=O)CCc2c[nH]c[nH+]2)[C@@H](O)C1 ZINC001445650857 891646688 /nfs/dbraw/zinc/64/66/88/891646688.db2.gz IIYHYEWEKJLZSM-MNOVXSKESA-N 1 2 296.327 -1.323 20 0 CAADLO COCC(=O)N1C[C@@H](NC(=O)CCc2c[nH+]c[nH]2)[C@@H](O)C1 ZINC001445650857 891646696 /nfs/dbraw/zinc/64/66/96/891646696.db2.gz IIYHYEWEKJLZSM-MNOVXSKESA-N 1 2 296.327 -1.323 20 0 CAADLO C[C@H](C[N@H+](C)Cc1cnnn1C)NC(=O)Cn1ncnn1 ZINC001445756652 891652941 /nfs/dbraw/zinc/65/29/41/891652941.db2.gz SWRMCEQBLZKSNE-SECBINFHSA-N 1 2 293.335 -1.562 20 0 CAADLO C[C@H](C[N@@H+](C)Cc1cnnn1C)NC(=O)Cn1ncnn1 ZINC001445756652 891652952 /nfs/dbraw/zinc/65/29/52/891652952.db2.gz SWRMCEQBLZKSNE-SECBINFHSA-N 1 2 293.335 -1.562 20 0 CAADLO C[C@@H](C[N@H+](C)Cc1cnnn1C)NC(=O)[C@H]1C[C@H]1C(N)=O ZINC001445809075 891654323 /nfs/dbraw/zinc/65/43/23/891654323.db2.gz DHLXRGFKLUSBGJ-GDPRMGEGSA-N 1 2 294.359 -1.127 20 0 CAADLO C[C@@H](C[N@@H+](C)Cc1cnnn1C)NC(=O)[C@H]1C[C@H]1C(N)=O ZINC001445809075 891654333 /nfs/dbraw/zinc/65/43/33/891654333.db2.gz DHLXRGFKLUSBGJ-GDPRMGEGSA-N 1 2 294.359 -1.127 20 0 CAADLO Cc1nnc(CC(=O)NC[C@@H]2CC[N@H+]2CC(=O)N(C)C)[nH]1 ZINC001446038931 891658033 /nfs/dbraw/zinc/65/80/33/891658033.db2.gz KLUBEZQVCABYJH-JTQLQIEISA-N 1 2 294.359 -1.066 20 0 CAADLO Cc1nnc(CC(=O)NC[C@@H]2CC[N@@H+]2CC(=O)N(C)C)[nH]1 ZINC001446038931 891658038 /nfs/dbraw/zinc/65/80/38/891658038.db2.gz KLUBEZQVCABYJH-JTQLQIEISA-N 1 2 294.359 -1.066 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+]1CC[C@@H]1CNC(=O)CN(C)C(C)=O ZINC001446020051 891658953 /nfs/dbraw/zinc/65/89/53/891658953.db2.gz RRNOXBDOPSOWJF-MWLCHTKSSA-N 1 2 284.360 -1.210 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+]1CC[C@@H]1CNC(=O)CN(C)C(C)=O ZINC001446020051 891658965 /nfs/dbraw/zinc/65/89/65/891658965.db2.gz RRNOXBDOPSOWJF-MWLCHTKSSA-N 1 2 284.360 -1.210 20 0 CAADLO Cn1nnnc1C[NH2+]C[C@@H](NC(=O)c1cn[nH]n1)C1CC1 ZINC001445957583 891659310 /nfs/dbraw/zinc/65/93/10/891659310.db2.gz NEALWLIXTKAYFE-MRVPVSSYSA-N 1 2 291.319 -1.374 20 0 CAADLO Cn1nnnc1C[NH2+]C[C@@H](NC(=O)c1cnn[nH]1)C1CC1 ZINC001445957583 891659316 /nfs/dbraw/zinc/65/93/16/891659316.db2.gz NEALWLIXTKAYFE-MRVPVSSYSA-N 1 2 291.319 -1.374 20 0 CAADLO Cn1nnnc1C[NH2+]C[C@H](NC(=O)c1cn[nH]n1)C1CC1 ZINC001445957592 891659725 /nfs/dbraw/zinc/65/97/25/891659725.db2.gz NEALWLIXTKAYFE-QMMMGPOBSA-N 1 2 291.319 -1.374 20 0 CAADLO Cn1nnnc1C[NH2+]C[C@H](NC(=O)c1cnn[nH]1)C1CC1 ZINC001445957592 891659731 /nfs/dbraw/zinc/65/97/31/891659731.db2.gz NEALWLIXTKAYFE-QMMMGPOBSA-N 1 2 291.319 -1.374 20 0 CAADLO CNC(=O)NCCC(=O)NC[C@H]1CC[N@@H+]1[C@H](C)C(N)=O ZINC001446029330 891659854 /nfs/dbraw/zinc/65/98/54/891659854.db2.gz FKXHMHDHFKOVIY-RKDXNWHRSA-N 1 2 285.348 -1.630 20 0 CAADLO CNC(=O)NCCC(=O)NC[C@H]1CC[N@H+]1[C@H](C)C(N)=O ZINC001446029330 891659856 /nfs/dbraw/zinc/65/98/56/891659856.db2.gz FKXHMHDHFKOVIY-RKDXNWHRSA-N 1 2 285.348 -1.630 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+]1CC[C@@H]1CNC(=O)CN(C)C(C)=O ZINC001446020045 891659867 /nfs/dbraw/zinc/65/98/67/891659867.db2.gz RRNOXBDOPSOWJF-GXSJLCMTSA-N 1 2 284.360 -1.210 20 0 CAADLO CNC(=O)[C@H](C)[N@H+]1CC[C@@H]1CNC(=O)CN(C)C(C)=O ZINC001446020045 891659868 /nfs/dbraw/zinc/65/98/68/891659868.db2.gz RRNOXBDOPSOWJF-GXSJLCMTSA-N 1 2 284.360 -1.210 20 0 CAADLO COC[C@@H](O)C[N@@H+]1CC[C@H]1CNC(=O)CCc1nc[nH]n1 ZINC001446043475 891662124 /nfs/dbraw/zinc/66/21/24/891662124.db2.gz RXIHZZBQMMNANB-QWRGUYRKSA-N 1 2 297.359 -1.065 20 0 CAADLO COC[C@@H](O)C[N@H+]1CC[C@H]1CNC(=O)CCc1nc[nH]n1 ZINC001446043475 891662136 /nfs/dbraw/zinc/66/21/36/891662136.db2.gz RXIHZZBQMMNANB-QWRGUYRKSA-N 1 2 297.359 -1.065 20 0 CAADLO Cn1nnnc1CN1CC[C@H]1CNC(=O)Cc1[nH]cc[nH+]1 ZINC001446089538 891662311 /nfs/dbraw/zinc/66/23/11/891662311.db2.gz DQYMVQUWPFXBKC-VIFPVBQESA-N 1 2 290.331 -1.134 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CC[C@H]1CNC(=O)CNC(=O)C1CC1 ZINC001446048248 891663131 /nfs/dbraw/zinc/66/31/31/891663131.db2.gz VXNIXBACRYZHHM-WPRPVWTQSA-N 1 2 282.344 -1.423 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CC[C@H]1CNC(=O)CNC(=O)C1CC1 ZINC001446048248 891663136 /nfs/dbraw/zinc/66/31/36/891663136.db2.gz VXNIXBACRYZHHM-WPRPVWTQSA-N 1 2 282.344 -1.423 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+]1CC[C@H]1CNC(=O)Cc1nnc(C)[nH]1 ZINC001446039943 891663170 /nfs/dbraw/zinc/66/31/70/891663170.db2.gz LYQXAPZLDOFLFT-WPRPVWTQSA-N 1 2 294.359 -1.019 20 0 CAADLO CNC(=O)[C@H](C)[N@H+]1CC[C@H]1CNC(=O)Cc1nnc(C)[nH]1 ZINC001446039943 891663178 /nfs/dbraw/zinc/66/31/78/891663178.db2.gz LYQXAPZLDOFLFT-WPRPVWTQSA-N 1 2 294.359 -1.019 20 0 CAADLO CCN(C)C(=O)C[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CNC(=O)N1 ZINC001446069923 891664097 /nfs/dbraw/zinc/66/40/97/891664097.db2.gz FHZVDDGHJALFTF-NXEZZACHSA-N 1 2 297.359 -1.663 20 0 CAADLO CCN(C)C(=O)C[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CNC(=O)N1 ZINC001446069923 891664100 /nfs/dbraw/zinc/66/41/00/891664100.db2.gz FHZVDDGHJALFTF-NXEZZACHSA-N 1 2 297.359 -1.663 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+]1CC[C@@H]1CNC(=O)CCCC(N)=O ZINC001446114013 891664404 /nfs/dbraw/zinc/66/44/04/891664404.db2.gz BQSUPTDLWLGMMF-NXEZZACHSA-N 1 2 284.360 -1.033 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+]1CC[C@@H]1CNC(=O)CCCC(N)=O ZINC001446114013 891664410 /nfs/dbraw/zinc/66/44/10/891664410.db2.gz BQSUPTDLWLGMMF-NXEZZACHSA-N 1 2 284.360 -1.033 20 0 CAADLO Cn1[nH]c(C[NH2+]C2(CNC(=O)c3ccn[nH]3)CC2)nc1=O ZINC001446150922 891665359 /nfs/dbraw/zinc/66/53/59/891665359.db2.gz IAZXPIJVKRYXDU-UHFFFAOYSA-N 1 2 291.315 -1.116 20 0 CAADLO O=C(Cc1nc[nH]n1)NC[C@H]1CC[N@@H+]1[C@@H]1CCCNC1=O ZINC001446133085 891666296 /nfs/dbraw/zinc/66/62/96/891666296.db2.gz VWPNHBUYMINGBC-NXEZZACHSA-N 1 2 292.343 -1.184 20 0 CAADLO O=C(Cc1nc[nH]n1)NC[C@H]1CC[N@H+]1[C@@H]1CCCNC1=O ZINC001446133085 891666297 /nfs/dbraw/zinc/66/62/97/891666297.db2.gz VWPNHBUYMINGBC-NXEZZACHSA-N 1 2 292.343 -1.184 20 0 CAADLO CCC(=O)NCC(=O)NCC1([NH2+]Cc2nnnn2C)CC1 ZINC001446164885 891666350 /nfs/dbraw/zinc/66/63/50/891666350.db2.gz VQCRDAZWYUHUQY-UHFFFAOYSA-N 1 2 295.347 -1.525 20 0 CAADLO CC(=O)N(C)CC(=O)NCC1([NH2+]Cc2nnnn2C)CC1 ZINC001446138045 891666508 /nfs/dbraw/zinc/66/65/08/891666508.db2.gz CHQACEIRNUXMSS-UHFFFAOYSA-N 1 2 295.347 -1.573 20 0 CAADLO CNC(=O)NCC(=O)NCC1([NH2+]Cc2cnn(C)n2)CC1 ZINC001446186298 891666523 /nfs/dbraw/zinc/66/65/23/891666523.db2.gz WHQIKSHIKXHATP-UHFFFAOYSA-N 1 2 295.347 -1.518 20 0 CAADLO O=C(NCC1([NH2+]Cc2cnon2)CC1)[C@@H]1COC(=O)N1 ZINC001446170101 891667148 /nfs/dbraw/zinc/66/71/48/891667148.db2.gz NSVGENVFYGZIMS-QMMMGPOBSA-N 1 2 281.272 -1.084 20 0 CAADLO Cn1ncnc1C[NH2+]C1(CNC(=O)Cc2nc[nH]n2)CC1 ZINC001446263660 891669545 /nfs/dbraw/zinc/66/95/45/891669545.db2.gz RMAWSXORTLBZND-UHFFFAOYSA-N 1 2 290.331 -1.086 20 0 CAADLO CNC(=O)NCC(=O)N(C)C1CN(Cc2c[nH+]cn2C)C1 ZINC001446372156 891674544 /nfs/dbraw/zinc/67/45/44/891674544.db2.gz DCUOAZLFGUGNHB-UHFFFAOYSA-N 1 2 294.359 -1.008 20 0 CAADLO CN(C(=O)CCc1[nH+]ccn1C)C1CN(CC(N)=O)C1 ZINC001446369201 891674888 /nfs/dbraw/zinc/67/48/88/891674888.db2.gz FDUANNAPASDHSF-UHFFFAOYSA-N 1 2 279.344 -1.019 20 0 CAADLO CC1(NC(=O)Cc2nnc[nH]2)CC[NH+](CC(N)=O)CC1 ZINC001446479667 891679700 /nfs/dbraw/zinc/67/97/00/891679700.db2.gz IWPZGBJSQRVMEW-UHFFFAOYSA-N 1 2 280.332 -1.197 20 0 CAADLO CCNC(=O)C[N@@H+]1CC[C@](C)(NC(=O)c2nnn(C)n2)C1 ZINC001446546169 891680292 /nfs/dbraw/zinc/68/02/92/891680292.db2.gz XGIBMUZATZXXGL-LBPRGKRZSA-N 1 2 295.347 -1.460 20 0 CAADLO CCNC(=O)C[N@H+]1CC[C@](C)(NC(=O)c2nnn(C)n2)C1 ZINC001446546169 891680309 /nfs/dbraw/zinc/68/03/09/891680309.db2.gz XGIBMUZATZXXGL-LBPRGKRZSA-N 1 2 295.347 -1.460 20 0 CAADLO CNC(=O)NCC(=O)NC1CC[NH+]([C@@H]2CCOC2=O)CC1 ZINC001446590145 891683329 /nfs/dbraw/zinc/68/33/29/891683329.db2.gz BKSGHEAWSFGRTG-SNVBAGLBSA-N 1 2 298.343 -1.189 20 0 CAADLO CO[C@@H](C)C(=O)NC[C@]1(O)CC[N@H+](Cc2cn(C)nn2)C1 ZINC001446746117 891686871 /nfs/dbraw/zinc/68/68/71/891686871.db2.gz HZGPGILFFALDPN-GXFFZTMASA-N 1 2 297.359 -1.097 20 0 CAADLO CO[C@@H](C)C(=O)NC[C@]1(O)CC[N@@H+](Cc2cn(C)nn2)C1 ZINC001446746117 891686879 /nfs/dbraw/zinc/68/68/79/891686879.db2.gz HZGPGILFFALDPN-GXFFZTMASA-N 1 2 297.359 -1.097 20 0 CAADLO COC(=O)[C@@H]1C[C@@H]1C(=O)NCC1(O)C[NH+](CCCO)C1 ZINC001446830267 891692253 /nfs/dbraw/zinc/69/22/53/891692253.db2.gz LVWXQEPJOHPWDG-VHSXEESVSA-N 1 2 286.328 -1.659 20 0 CAADLO CO[C@H](C)C[NH+]1CC(O)(CNC(=O)c2nccnc2N)C1 ZINC001446828832 891692895 /nfs/dbraw/zinc/69/28/95/891692895.db2.gz MZTVWWLMYZEDKA-SECBINFHSA-N 1 2 295.343 -1.130 20 0 CAADLO COc1cc(C(=O)NCC2(O)C[NH+](CCCO)C2)ncn1 ZINC001446832612 891693418 /nfs/dbraw/zinc/69/34/18/891693418.db2.gz DPFBUJWOAMVMKK-UHFFFAOYSA-N 1 2 296.327 -1.356 20 0 CAADLO CO[C@@H](C)C[NH+]1CC(O)(CNC(=O)c2nccnc2N)C1 ZINC001446828835 891693599 /nfs/dbraw/zinc/69/35/99/891693599.db2.gz MZTVWWLMYZEDKA-VIFPVBQESA-N 1 2 295.343 -1.130 20 0 CAADLO COC(=O)[C@@H]1C[C@H]1C(=O)NCC1(O)C[NH+](CCCO)C1 ZINC001446830261 891694320 /nfs/dbraw/zinc/69/43/20/891694320.db2.gz LVWXQEPJOHPWDG-NXEZZACHSA-N 1 2 286.328 -1.659 20 0 CAADLO Cc1nnc(CC(=O)NCC2(O)C[NH+](CCCO)C2)o1 ZINC001446835587 891695920 /nfs/dbraw/zinc/69/59/20/891695920.db2.gz SIQVBZXXVNPKPB-UHFFFAOYSA-N 1 2 284.316 -1.534 20 0 CAADLO O=C(Cn1ncnn1)NCC1(O)C[NH+](CCCF)C1 ZINC001446837355 891696424 /nfs/dbraw/zinc/69/64/24/891696424.db2.gz XYQOZVREJCFIAR-UHFFFAOYSA-N 1 2 272.284 -1.804 20 0 CAADLO COC[C@H](O)C[NH+]1CC(O)(CNC(=O)Cc2ccoc2)C1 ZINC001446832865 891696712 /nfs/dbraw/zinc/69/67/12/891696712.db2.gz FPHGSSNTQGGWGU-GFCCVEGCSA-N 1 2 298.339 -1.008 20 0 CAADLO COC[C@@H](C)[NH+]1CC(O)(CNC(=O)c2cn(C)nn2)C1 ZINC001446836740 891696769 /nfs/dbraw/zinc/69/67/69/891696769.db2.gz XZCZZGNMUMYGOV-SECBINFHSA-N 1 2 283.332 -1.374 20 0 CAADLO COC(=O)NCC(=O)NCC1(O)C[NH+](C[C@@H](C)OC)C1 ZINC001446833616 891697023 /nfs/dbraw/zinc/69/70/23/891697023.db2.gz HGVAACNRABBWSN-SECBINFHSA-N 1 2 289.332 -1.460 20 0 CAADLO CO[C@@H](C)C[NH+]1CC(O)(CNC(=O)Cc2nnc(C)[nH]2)C1 ZINC001446841410 891697801 /nfs/dbraw/zinc/69/78/01/891697801.db2.gz GSLLZGMDAGRORX-VIFPVBQESA-N 1 2 297.359 -1.147 20 0 CAADLO C[C@@H](O)C[NH+]1CC(O)(CNC(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC001446859235 891698902 /nfs/dbraw/zinc/69/89/02/891698902.db2.gz ZVGRDGQGWVCWFP-BDAKNGLRSA-N 1 2 286.332 -2.446 20 0 CAADLO C[C@H](O)C[NH+]1CC(O)(CNC(=O)c2cnn3c2CCC3)C1 ZINC001446853563 891699131 /nfs/dbraw/zinc/69/91/31/891699131.db2.gz FUYSZBUKPXNZDI-JTQLQIEISA-N 1 2 294.355 -1.013 20 0 CAADLO C[C@@H](O)C[NH+]1CC(O)(CNC(=O)c2cn(C)c(=O)[nH]2)C1 ZINC001446870104 891699416 /nfs/dbraw/zinc/69/94/16/891699416.db2.gz SVNSYNAWTHRZRT-MRVPVSSYSA-N 1 2 284.316 -1.717 20 0 CAADLO CN1C(=O)CC[C@@H]1C(=O)NCC1(O)C[NH+](CCCO)C1 ZINC001446865609 891699487 /nfs/dbraw/zinc/69/94/87/891699487.db2.gz KFVRMERPQCBCJC-SNVBAGLBSA-N 1 2 285.344 -1.848 20 0 CAADLO Cc1[nH]c(=O)[nH]c1C(=O)NCC1(O)C[NH+](C[C@@H](C)O)C1 ZINC001446855249 891699977 /nfs/dbraw/zinc/69/99/77/891699977.db2.gz FINXDJPCFXXIQR-SSDOTTSWSA-N 1 2 284.316 -1.419 20 0 CAADLO O=C(C[C@@H]1CCC(=O)NC1)NCC1(O)C[NH+](CCCO)C1 ZINC001446851267 891700101 /nfs/dbraw/zinc/70/01/01/891700101.db2.gz DQPKVBDYQHXNEV-NSHDSACASA-N 1 2 299.371 -1.552 20 0 CAADLO Cc1[nH]c(=O)[nH]c1C(=O)NCC1(O)C[NH+](C[C@H](C)O)C1 ZINC001446855251 891700409 /nfs/dbraw/zinc/70/04/09/891700409.db2.gz FINXDJPCFXXIQR-ZETCQYMHSA-N 1 2 284.316 -1.419 20 0 CAADLO CNC(=O)NCC(=O)NCC1(O)C[NH+](CCCF)C1 ZINC001446853674 891700851 /nfs/dbraw/zinc/70/08/51/891700851.db2.gz GFDNFZGRPZJYQB-UHFFFAOYSA-N 1 2 276.312 -1.562 20 0 CAADLO Cc1cnn(C)c1C(=O)NCC1(O)C[NH+](C[C@H](C)O)C1 ZINC001446863856 891700896 /nfs/dbraw/zinc/70/08/96/891700896.db2.gz OCOBLMQDJONOPL-JTQLQIEISA-N 1 2 282.344 -1.114 20 0 CAADLO CN(C)C(=O)CN1CC(O)(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001446920851 891702191 /nfs/dbraw/zinc/70/21/91/891702191.db2.gz HDVATKSEWGVFBZ-UHFFFAOYSA-N 1 2 295.343 -1.866 20 0 CAADLO C[C@@H](O)CCC[NH+]1CC(O)(CNC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001446900004 891702338 /nfs/dbraw/zinc/70/23/38/891702338.db2.gz FQSIHHJIUVKHST-MNOVXSKESA-N 1 2 299.371 -1.411 20 0 CAADLO O=C(NCC1(O)C[NH+](CCCO)C1)[C@H]1C[C@@]12CCOC2 ZINC001446902024 891703324 /nfs/dbraw/zinc/70/33/24/891703324.db2.gz UDLVOKWQYQKZLV-DGCLKSJQSA-N 1 2 284.356 -1.042 20 0 CAADLO C[C@H](O)CCC[NH+]1CC(O)(CNC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001446900009 891703378 /nfs/dbraw/zinc/70/33/78/891703378.db2.gz FQSIHHJIUVKHST-QWRGUYRKSA-N 1 2 299.371 -1.411 20 0 CAADLO COC[C@@H](C)[NH+]1CC(O)(CNC(=O)C[C@H]2CCC(=O)N2)C1 ZINC001446891777 891703541 /nfs/dbraw/zinc/70/35/41/891703541.db2.gz QRRGMLWQOJCFEE-GHMZBOCLSA-N 1 2 299.371 -1.147 20 0 CAADLO CNC(=O)[C@@H](C)N1CC(O)(CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001446886775 891704181 /nfs/dbraw/zinc/70/41/81/891704181.db2.gz DIKDMMJWYYZKRR-SECBINFHSA-N 1 2 295.343 -1.750 20 0 CAADLO CC(C)OCC[NH+]1CC(O)(CNC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001446885010 891704469 /nfs/dbraw/zinc/70/44/69/891704469.db2.gz KARKZOROPNVRMF-MNOVXSKESA-N 1 2 299.371 -1.304 20 0 CAADLO CC(C)OCC[NH+]1CC(O)(CNC(=O)Cn2cncn2)C1 ZINC001446897567 891705112 /nfs/dbraw/zinc/70/51/12/891705112.db2.gz LNWRMKVUFSEAIL-UHFFFAOYSA-N 1 2 297.359 -1.134 20 0 CAADLO COC[C@H](OC)C(=O)NCC1(O)C[NH+](C[C@H](C)O)C1 ZINC001446876537 891705224 /nfs/dbraw/zinc/70/52/24/891705224.db2.gz NLLQTUQPQVDOTO-UWVGGRQHSA-N 1 2 276.333 -1.809 20 0 CAADLO COCC(=O)N[C@]1(CO)CCC[N@H+](CC(=O)N(C)C)C1 ZINC001446994621 891707269 /nfs/dbraw/zinc/70/72/69/891707269.db2.gz ALGUZNIQJDTOFP-CYBMUJFWSA-N 1 2 287.360 -1.336 20 0 CAADLO COCC(=O)N[C@]1(CO)CCC[N@@H+](CC(=O)N(C)C)C1 ZINC001446994621 891707278 /nfs/dbraw/zinc/70/72/78/891707278.db2.gz ALGUZNIQJDTOFP-CYBMUJFWSA-N 1 2 287.360 -1.336 20 0 CAADLO COCC(=O)N[C@@]1(CO)CCC[N@@H+]([C@@H](C)C(N)=O)C1 ZINC001446994692 891710183 /nfs/dbraw/zinc/71/01/83/891710183.db2.gz BFSGLZRLFXKXDR-CABZTGNLSA-N 1 2 273.333 -1.550 20 0 CAADLO COCC(=O)N[C@@]1(CO)CCC[N@H+]([C@@H](C)C(N)=O)C1 ZINC001446994692 891710190 /nfs/dbraw/zinc/71/01/90/891710190.db2.gz BFSGLZRLFXKXDR-CABZTGNLSA-N 1 2 273.333 -1.550 20 0 CAADLO COCC(=O)N[C@@]1(CO)CCC[N@@H+]([C@H](C)C(N)=O)C1 ZINC001446994694 891710745 /nfs/dbraw/zinc/71/07/45/891710745.db2.gz BFSGLZRLFXKXDR-SKDRFNHKSA-N 1 2 273.333 -1.550 20 0 CAADLO COCC(=O)N[C@@]1(CO)CCC[N@H+]([C@H](C)C(N)=O)C1 ZINC001446994694 891710750 /nfs/dbraw/zinc/71/07/50/891710750.db2.gz BFSGLZRLFXKXDR-SKDRFNHKSA-N 1 2 273.333 -1.550 20 0 CAADLO NC(=O)NCC(=O)N1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001447052687 891714955 /nfs/dbraw/zinc/71/49/55/891714955.db2.gz VLFAROWMLLODBA-QMMMGPOBSA-N 1 2 294.315 -1.662 20 0 CAADLO O=C(CCn1cnnn1)NC[C@@H]1COCC[N@H+]1CCCO ZINC001447146079 891716293 /nfs/dbraw/zinc/71/62/93/891716293.db2.gz KLTDHJALKWTHEP-LLVKDONJSA-N 1 2 298.347 -1.737 20 0 CAADLO O=C(CCn1cnnn1)NC[C@@H]1COCC[N@@H+]1CCCO ZINC001447146079 891716304 /nfs/dbraw/zinc/71/63/04/891716304.db2.gz KLTDHJALKWTHEP-LLVKDONJSA-N 1 2 298.347 -1.737 20 0 CAADLO CC[N@@H+]1CCOC[C@H]1CNC(=O)Cn1cnc(C(N)=O)n1 ZINC001447153947 891717481 /nfs/dbraw/zinc/71/74/81/891717481.db2.gz ILEQRSWJDCGIPR-SECBINFHSA-N 1 2 296.331 -1.786 20 0 CAADLO CC[N@H+]1CCOC[C@H]1CNC(=O)Cn1cnc(C(N)=O)n1 ZINC001447153947 891717490 /nfs/dbraw/zinc/71/74/90/891717490.db2.gz ILEQRSWJDCGIPR-SECBINFHSA-N 1 2 296.331 -1.786 20 0 CAADLO CCC[N@@H+]1CCOC[C@H]1CNC(=O)Cn1ncn(C)c1=O ZINC001447142781 891717558 /nfs/dbraw/zinc/71/75/58/891717558.db2.gz QSFLHBYVCVNPHP-LLVKDONJSA-N 1 2 297.359 -1.191 20 0 CAADLO CCC[N@H+]1CCOC[C@H]1CNC(=O)Cn1ncn(C)c1=O ZINC001447142781 891717566 /nfs/dbraw/zinc/71/75/66/891717566.db2.gz QSFLHBYVCVNPHP-LLVKDONJSA-N 1 2 297.359 -1.191 20 0 CAADLO CC[N@@H+]1CCOC[C@@H]1CNC(=O)Cn1cnc(C(N)=O)n1 ZINC001447154009 891717580 /nfs/dbraw/zinc/71/75/80/891717580.db2.gz ILEQRSWJDCGIPR-VIFPVBQESA-N 1 2 296.331 -1.786 20 0 CAADLO CC[N@H+]1CCOC[C@@H]1CNC(=O)Cn1cnc(C(N)=O)n1 ZINC001447154009 891717589 /nfs/dbraw/zinc/71/75/89/891717589.db2.gz ILEQRSWJDCGIPR-VIFPVBQESA-N 1 2 296.331 -1.786 20 0 CAADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H]1C[C@H]1C(N)=O ZINC001447276128 891720451 /nfs/dbraw/zinc/72/04/51/891720451.db2.gz IXXQLRPBBKUFIA-VGMNWLOBSA-N 1 2 280.284 -1.269 20 0 CAADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H]1C[C@H]1C(N)=O ZINC001447276128 891720466 /nfs/dbraw/zinc/72/04/66/891720466.db2.gz IXXQLRPBBKUFIA-VGMNWLOBSA-N 1 2 280.284 -1.269 20 0 CAADLO CC(=O)NCC(=O)N[C@H]1C[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001447500027 891730968 /nfs/dbraw/zinc/73/09/68/891730968.db2.gz FSSPSXNBEBPTTE-AOOOYVTPSA-N 1 2 293.327 -1.148 20 0 CAADLO Cn1c[nH+]cc1CCNC(=O)Cn1nnc(N)n1 ZINC001447633074 891734032 /nfs/dbraw/zinc/73/40/32/891734032.db2.gz RBCUZZQMIVTXOZ-UHFFFAOYSA-N 1 2 250.266 -1.652 20 0 CAADLO NC(=O)C[NH+]1CCC(CO)(NC(=O)c2cnns2)CC1 ZINC001447701791 891738155 /nfs/dbraw/zinc/73/81/55/891738155.db2.gz GLROKJVIVRSBBV-UHFFFAOYSA-N 1 2 299.356 -1.420 20 0 CAADLO Cn1cc(C(=O)NC2(CO)CC[NH+](CC(N)=O)CC2)cn1 ZINC001447696156 891738874 /nfs/dbraw/zinc/73/88/74/891738874.db2.gz MSOLSLAUXNMJHN-UHFFFAOYSA-N 1 2 295.343 -1.538 20 0 CAADLO C[C@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)NC(=O)c1nnc[nH]1 ZINC001447857922 891741783 /nfs/dbraw/zinc/74/17/83/891741783.db2.gz WLUMXEWMILXYTD-BDAKNGLRSA-N 1 2 296.331 -1.630 20 0 CAADLO C[C@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)NC(=O)c1nnc[nH]1 ZINC001447857922 891741792 /nfs/dbraw/zinc/74/17/92/891741792.db2.gz WLUMXEWMILXYTD-BDAKNGLRSA-N 1 2 296.331 -1.630 20 0 CAADLO NC(=O)N[C@H](CO)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC001448022511 891747019 /nfs/dbraw/zinc/74/70/19/891747019.db2.gz JNQNSMMGUXMIJE-HTQZYQBOSA-N 1 2 267.289 -1.657 20 0 CAADLO CNC(=O)C[N@H+](C)[C@@H](C)CNC(=O)CCc1nnc[nH]1 ZINC001448001319 891750296 /nfs/dbraw/zinc/75/02/96/891750296.db2.gz AZUWMHGKNTYUNM-VIFPVBQESA-N 1 2 282.348 -1.080 20 0 CAADLO CNC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)CCc1nnc[nH]1 ZINC001448001319 891750302 /nfs/dbraw/zinc/75/03/02/891750302.db2.gz AZUWMHGKNTYUNM-VIFPVBQESA-N 1 2 282.348 -1.080 20 0 CAADLO C[C@@H](CNC(=O)[C@H]1CNC(=O)N1)[N@H+](C)Cc1cnnn1C ZINC001448078322 891751700 /nfs/dbraw/zinc/75/17/00/891751700.db2.gz LDQSXVVKEUSQCC-WCBMZHEXSA-N 1 2 295.347 -1.567 20 0 CAADLO C[C@@H](CNC(=O)[C@H]1CNC(=O)N1)[N@@H+](C)Cc1cnnn1C ZINC001448078322 891751706 /nfs/dbraw/zinc/75/17/06/891751706.db2.gz LDQSXVVKEUSQCC-WCBMZHEXSA-N 1 2 295.347 -1.567 20 0 CAADLO C[C@H](CNC(=O)[C@@H]1CNC(=O)N1)[N@H+](C)Cc1cnnn1C ZINC001448078319 891751882 /nfs/dbraw/zinc/75/18/82/891751882.db2.gz LDQSXVVKEUSQCC-SCZZXKLOSA-N 1 2 295.347 -1.567 20 0 CAADLO C[C@H](CNC(=O)[C@@H]1CNC(=O)N1)[N@@H+](C)Cc1cnnn1C ZINC001448078319 891751888 /nfs/dbraw/zinc/75/18/88/891751888.db2.gz LDQSXVVKEUSQCC-SCZZXKLOSA-N 1 2 295.347 -1.567 20 0 CAADLO CN1C[C@H](C(=O)NC2(CCO)C[NH+](CCCO)C2)CC1=O ZINC001448174059 891753065 /nfs/dbraw/zinc/75/30/65/891753065.db2.gz GZUCEEIPKMSRRI-LLVKDONJSA-N 1 2 299.371 -1.600 20 0 CAADLO C[C@@H](O)C[NH+]1CC(CCO)(NC(=O)CCn2ccnn2)C1 ZINC001448160423 891753778 /nfs/dbraw/zinc/75/37/78/891753778.db2.gz SKVDTQAHFLUOIS-LLVKDONJSA-N 1 2 297.359 -1.398 20 0 CAADLO C[C@H](O)C[NH+]1CC(CCO)(NC(=O)[C@H]2CC(=O)N(C)C2)C1 ZINC001448175285 891754528 /nfs/dbraw/zinc/75/45/28/891754528.db2.gz JNNZHDGWXUDGKH-QWRGUYRKSA-N 1 2 299.371 -1.602 20 0 CAADLO C[C@@H](O)C[NH+]1CC(CCO)(NC(=O)[C@@H]2CC(=O)N(C)C2)C1 ZINC001448175277 891754659 /nfs/dbraw/zinc/75/46/59/891754659.db2.gz JNNZHDGWXUDGKH-GHMZBOCLSA-N 1 2 299.371 -1.602 20 0 CAADLO C[C@H](O)C[NH+]1CC(CCO)(NC(=O)CCn2ccnn2)C1 ZINC001448160427 891755109 /nfs/dbraw/zinc/75/51/09/891755109.db2.gz SKVDTQAHFLUOIS-NSHDSACASA-N 1 2 297.359 -1.398 20 0 CAADLO CO[C@H](C)C[NH+]1CC(CCO)(NC(=O)Cc2nc[nH]n2)C1 ZINC001448197004 891756393 /nfs/dbraw/zinc/75/63/93/891756393.db2.gz HBFIYUHBJACMJR-SNVBAGLBSA-N 1 2 297.359 -1.065 20 0 CAADLO CCC(=O)NCC(=O)N[C@H](C)C1C[NH+](CC(N)=O)C1 ZINC001448274738 891756705 /nfs/dbraw/zinc/75/67/05/891756705.db2.gz CTUCGXCJTOBGNS-MRVPVSSYSA-N 1 2 270.333 -1.566 20 0 CAADLO O=C(NC1(CCO)C[NH+](CCO)C1)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001448179582 891756737 /nfs/dbraw/zinc/75/67/37/891756737.db2.gz XOLYHURDKVUHOL-FHUSYTEZSA-N 1 2 296.367 -1.045 20 0 CAADLO CNC(=O)NCC(=O)NC1(CCO)C[NH+](CCOC)C1 ZINC001448177926 891757516 /nfs/dbraw/zinc/75/75/16/891757516.db2.gz UUWANRDGPVQEEG-UHFFFAOYSA-N 1 2 288.348 -1.885 20 0 CAADLO Cc1[nH+]c[nH]c1CC(=O)NC1(CCO)CN(CC(N)=O)C1 ZINC001448188763 891757920 /nfs/dbraw/zinc/75/79/20/891757920.db2.gz IIYXTQHOSIDXKF-UHFFFAOYSA-N 1 2 295.343 -1.701 20 0 CAADLO NC(=O)[C@@H]1CC[C@H]1C(=O)NC1(CCO)C[NH+](CCO)C1 ZINC001448179176 891757977 /nfs/dbraw/zinc/75/79/77/891757977.db2.gz FPKRXRLNQLIEGA-NXEZZACHSA-N 1 2 285.344 -1.957 20 0 CAADLO NC(=O)[C@H]1CC[C@H]1C(=O)NC1(CCO)C[NH+](CCO)C1 ZINC001448179178 891758017 /nfs/dbraw/zinc/75/80/17/891758017.db2.gz FPKRXRLNQLIEGA-VHSXEESVSA-N 1 2 285.344 -1.957 20 0 CAADLO NC(=O)[C@H]1CC[C@@H]1C(=O)NC1(CCO)C[NH+](CCO)C1 ZINC001448179177 891758466 /nfs/dbraw/zinc/75/84/66/891758466.db2.gz FPKRXRLNQLIEGA-UWVGGRQHSA-N 1 2 285.344 -1.957 20 0 CAADLO COC[C@H](OC)C(=O)NC1(CCO)C[NH+](C[C@H](C)O)C1 ZINC001448184640 891758702 /nfs/dbraw/zinc/75/87/02/891758702.db2.gz ABTRJSQZBIKZNB-QWRGUYRKSA-N 1 2 290.360 -1.418 20 0 CAADLO C[C@H](O)C[NH+]1CC(CCO)(NC(=O)[C@H]2CCC(=O)N2C)C1 ZINC001448187334 891758780 /nfs/dbraw/zinc/75/87/80/891758780.db2.gz LBRQIZUWSIYHRT-WDEREUQCSA-N 1 2 299.371 -1.459 20 0 CAADLO C[C@@H](NC(=O)[C@]1(C)CCNC(=O)C1)C1C[NH+](CC(N)=O)C1 ZINC001448313993 891761296 /nfs/dbraw/zinc/76/12/96/891761296.db2.gz ILHSRBCXZAJNRV-YMTOWFKASA-N 1 2 296.371 -1.176 20 0 CAADLO Cc1nonc1CC(=O)N[C@H](C)C1C[NH+](CC(N)=O)C1 ZINC001448335807 891761697 /nfs/dbraw/zinc/76/16/97/891761697.db2.gz GPMLECOTRMDGBO-SSDOTTSWSA-N 1 2 281.316 -1.158 20 0 CAADLO C[C@@H](CC(N)=O)C(=O)N[C@@H]1C[N@H+](CC(N)=O)CC1(C)C ZINC001448387926 891761829 /nfs/dbraw/zinc/76/18/29/891761829.db2.gz UUXIIVMHNMAPQV-DTWKUNHWSA-N 1 2 284.360 -1.190 20 0 CAADLO C[C@@H](CC(N)=O)C(=O)N[C@@H]1C[N@@H+](CC(N)=O)CC1(C)C ZINC001448387926 891761846 /nfs/dbraw/zinc/76/18/46/891761846.db2.gz UUXIIVMHNMAPQV-DTWKUNHWSA-N 1 2 284.360 -1.190 20 0 CAADLO NC(=O)C1(O)CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001448469461 891763880 /nfs/dbraw/zinc/76/38/80/891763880.db2.gz WOVSQLMWGCFTAA-UHFFFAOYSA-N 1 2 252.274 -1.209 20 0 CAADLO CC[N@@H+]1CC[C@@H]1C(=O)NCC(=O)NCC(=O)OC ZINC001448783392 891778268 /nfs/dbraw/zinc/77/82/68/891778268.db2.gz UJSQFMANOXNELB-MRVPVSSYSA-N 1 2 257.290 -1.514 20 0 CAADLO CC[N@H+]1CC[C@@H]1C(=O)NCC(=O)NCC(=O)OC ZINC001448783392 891778278 /nfs/dbraw/zinc/77/82/78/891778278.db2.gz UJSQFMANOXNELB-MRVPVSSYSA-N 1 2 257.290 -1.514 20 0 CAADLO C[C@@H](CN(C)C(=O)Cc1ncn[nH]1)[NH2+][C@@H]1CCNC1=O ZINC001448757007 891774209 /nfs/dbraw/zinc/77/42/09/891774209.db2.gz VENDBFGEERLZJO-DTWKUNHWSA-N 1 2 280.332 -1.328 20 0 CAADLO CCOCC(=O)NC[C@H](CO)[NH2+][C@H](C)c1nnnn1C ZINC001448787931 891776008 /nfs/dbraw/zinc/77/60/08/891776008.db2.gz BODLVLCIZGYUNM-RKDXNWHRSA-N 1 2 286.336 -1.626 20 0 CAADLO CCOCC(=O)NC[C@@H](CO)[NH2+][C@H](C)c1nnnn1C ZINC001448787923 891776302 /nfs/dbraw/zinc/77/63/02/891776302.db2.gz BODLVLCIZGYUNM-BDAKNGLRSA-N 1 2 286.336 -1.626 20 0 CAADLO C[C@@H]([NH2+][C@@H](CO)CNC(=O)C(F)F)c1nnnn1C ZINC001448784284 891777263 /nfs/dbraw/zinc/77/72/63/891777263.db2.gz SKDDANIWFHBVDW-PHDIDXHHSA-N 1 2 278.263 -1.397 20 0 CAADLO C[C@H]([NH2+][C@H](CO)CNC(=O)C(C)(F)F)c1nnnn1C ZINC001448805701 891777994 /nfs/dbraw/zinc/77/79/94/891777994.db2.gz YRNRIDWSYZRWPZ-BQBZGAKWSA-N 1 2 292.290 -1.007 20 0 CAADLO C[C@H]([NH2+][C@H](CO)CNC(=O)C(F)F)c1nnnn1C ZINC001448784292 891778246 /nfs/dbraw/zinc/77/82/46/891778246.db2.gz SKDDANIWFHBVDW-WDSKDSINSA-N 1 2 278.263 -1.397 20 0 CAADLO Cn1ncc(C[NH2+][C@H](CO)CNC(=O)Cn2cccn2)n1 ZINC001448806984 891779743 /nfs/dbraw/zinc/77/97/43/891779743.db2.gz OOXMPMVJLFGBPY-NSHDSACASA-N 1 2 293.331 -1.722 20 0 CAADLO CC(=O)N[C@@H](C)C(=O)NC[C@@H](CO)[NH2+]Cc1cnn(C)n1 ZINC001448808073 891780523 /nfs/dbraw/zinc/78/05/23/891780523.db2.gz KRKIKQUELOBTEY-KWQFWETISA-N 1 2 298.347 -2.094 20 0 CAADLO Cn1cc(C[NH2+][C@H](CO)CNC(=O)C[C@@H]2CCCO2)nn1 ZINC001448815425 891780874 /nfs/dbraw/zinc/78/08/74/891780874.db2.gz JYUAIPCINNPNLB-RYUDHWBXSA-N 1 2 297.359 -1.049 20 0 CAADLO Cn1ncc(C[NH2+][C@@H](CO)CNC(=O)[C@H]2CCC(=O)N2)n1 ZINC001448816981 891781597 /nfs/dbraw/zinc/78/15/97/891781597.db2.gz BFLFXOZQLFOAST-NXEZZACHSA-N 1 2 296.331 -2.340 20 0 CAADLO CCn1ncc(C[NH2+][C@@H](CO)CNC(=O)c2ccn[nH]2)n1 ZINC001448812316 891781681 /nfs/dbraw/zinc/78/16/81/891781681.db2.gz GXCPTMFLMOKGED-SNVBAGLBSA-N 1 2 293.331 -1.098 20 0 CAADLO Cc1nnc(C[NH2+][C@H](CO)CNC(=O)c2cn[nH]c2)[nH]1 ZINC001448812544 891782303 /nfs/dbraw/zinc/78/23/03/891782303.db2.gz HDNLUHWOQMCGJB-VIFPVBQESA-N 1 2 279.304 -1.283 20 0 CAADLO C[C@@H]([NH2+][C@@H](CO)CNC(=O)c1cn[nH]c1)c1nncn1C ZINC001448816780 891782418 /nfs/dbraw/zinc/78/24/18/891782418.db2.gz MCFJJPQISKJYPP-PSASIEDQSA-N 1 2 293.331 -1.020 20 0 CAADLO Cn1cc(C[NH2+][C@@H](CO)CNC(=O)c2cncnc2)nn1 ZINC001448821338 891783787 /nfs/dbraw/zinc/78/37/87/891783787.db2.gz UZWLXTWZZUKFPK-LLVKDONJSA-N 1 2 291.315 -1.514 20 0 CAADLO CCn1ncnc1C[NH2+][C@@H](CO)CNC(=O)c1cn[nH]c1 ZINC001448820316 891783845 /nfs/dbraw/zinc/78/38/45/891783845.db2.gz QAUQGNKMANBDAB-SNVBAGLBSA-N 1 2 293.331 -1.098 20 0 CAADLO CCn1ncnc1C[NH2+][C@H](CO)CNC(=O)c1cn[nH]c1 ZINC001448820313 891784304 /nfs/dbraw/zinc/78/43/04/891784304.db2.gz QAUQGNKMANBDAB-JTQLQIEISA-N 1 2 293.331 -1.098 20 0 CAADLO Cc1nnc(C[NH2+][C@@H](CO)CNC(=O)CC(C)(C)O)[nH]1 ZINC001448824546 891785028 /nfs/dbraw/zinc/78/50/28/891785028.db2.gz HAJOGVWJADEOOF-SECBINFHSA-N 1 2 285.348 -1.159 20 0 CAADLO CC(=O)N(C)CC(=O)NC[C@H](CO)[NH2+]Cc1cnn(C)n1 ZINC001448821892 891785668 /nfs/dbraw/zinc/78/56/68/891785668.db2.gz UOYBSTPIOCEHPN-LLVKDONJSA-N 1 2 298.347 -2.140 20 0 CAADLO Cc1cc(C(=O)NC[C@H](CO)[NH2+]Cc2cnn(C)n2)[nH]n1 ZINC001448827687 891787768 /nfs/dbraw/zinc/78/77/68/891787768.db2.gz MNPUIKZQCPNECT-SNVBAGLBSA-N 1 2 293.331 -1.273 20 0 CAADLO Cc1nnc(CC(=O)NC[C@H](CO)[NH2+]Cc2ccon2)[nH]1 ZINC001448832912 891788059 /nfs/dbraw/zinc/78/80/59/891788059.db2.gz NYTTWLZVPLCKBR-SNVBAGLBSA-N 1 2 294.315 -1.089 20 0 CAADLO Cc1cc(C(=O)NC[C@@H](CO)[NH2+]Cc2cnn(C)n2)[nH]n1 ZINC001448827680 891788667 /nfs/dbraw/zinc/78/86/67/891788667.db2.gz MNPUIKZQCPNECT-JTQLQIEISA-N 1 2 293.331 -1.273 20 0 CAADLO Cc1cc(C[NH2+][C@@H](CO)CNC(=O)c2ncn(C)n2)no1 ZINC001448832645 891788721 /nfs/dbraw/zinc/78/87/21/891788721.db2.gz MXTLAPHIOSZLGS-SNVBAGLBSA-N 1 2 294.315 -1.008 20 0 CAADLO Cc1cc(C[NH2+][C@@H](CO)CNC(=O)[C@H]2COC(=O)N2)no1 ZINC001448832372 891788792 /nfs/dbraw/zinc/78/87/92/891788792.db2.gz ROWQAFHXHARQLV-NXEZZACHSA-N 1 2 298.299 -1.342 20 0 CAADLO Cn1ncc(C[NH2+][C@H](CO)CNC(=O)CC2(O)CCC2)n1 ZINC001448834817 891789750 /nfs/dbraw/zinc/78/97/50/891789750.db2.gz OVLRVYKFIUIHBX-NSHDSACASA-N 1 2 297.359 -1.313 20 0 CAADLO Cn1ncnc1C[NH2+][C@H](CO)CNC(=O)[C@H]1CCC(=O)N1 ZINC001448836794 891789875 /nfs/dbraw/zinc/78/98/75/891789875.db2.gz XXGGSGXIOVFGQO-DTWKUNHWSA-N 1 2 296.331 -2.340 20 0 CAADLO Cn1ncnc1C[NH2+][C@@H](CO)CNC(=O)c1ncc[nH]1 ZINC001448842669 891790303 /nfs/dbraw/zinc/79/03/03/891790303.db2.gz XRVMHYSJSIZDPA-MRVPVSSYSA-N 1 2 279.304 -1.581 20 0 CAADLO CO[C@@H](C(=O)NC[C@H](CO)[NH2+]Cc1cnn(C)n1)C1CC1 ZINC001448837815 891790559 /nfs/dbraw/zinc/79/05/59/891790559.db2.gz XMOIQLJHIKYELV-VXGBXAGGSA-N 1 2 297.359 -1.193 20 0 CAADLO Cc1nc(C[NH2+][C@@H](CO)CNC(=O)c2ncn(C)n2)co1 ZINC001448838283 891791035 /nfs/dbraw/zinc/79/10/35/891791035.db2.gz QWZJKGZENYGRBA-SECBINFHSA-N 1 2 294.315 -1.008 20 0 CAADLO Cn1cc(C[NH2+][C@H](CO)CNC(=O)c2ncc[nH]2)nn1 ZINC001448839743 891791052 /nfs/dbraw/zinc/79/10/52/891791052.db2.gz STVMYRQJBKRWEX-VIFPVBQESA-N 1 2 279.304 -1.581 20 0 CAADLO Cc1nc(C[NH2+][C@H](CO)CNC(=O)c2ncn(C)n2)co1 ZINC001448838286 891791145 /nfs/dbraw/zinc/79/11/45/891791145.db2.gz QWZJKGZENYGRBA-VIFPVBQESA-N 1 2 294.315 -1.008 20 0 CAADLO Cn1cnc(C(=O)NC[C@H](CO)[NH2+]Cc2cnn(C)n2)c1 ZINC001448839902 891791650 /nfs/dbraw/zinc/79/16/50/891791650.db2.gz QLKALVLQEBXBSG-SNVBAGLBSA-N 1 2 293.331 -1.571 20 0 CAADLO Cn1ncnc1C[NH2+][C@@H](CO)CNC(=O)[C@H]1CCC(=O)N1 ZINC001448836797 891791754 /nfs/dbraw/zinc/79/17/54/891791754.db2.gz XXGGSGXIOVFGQO-RKDXNWHRSA-N 1 2 296.331 -2.340 20 0 CAADLO COC1CC(C(=O)NC[C@H](CO)[NH2+]Cc2cnn(C)n2)C1 ZINC001448866498 891800106 /nfs/dbraw/zinc/80/01/06/891800106.db2.gz RRWRXGQIEZFNMF-CKBZRRDASA-N 1 2 297.359 -1.193 20 0 CAADLO COCC1(C(=O)NC[C@@H](CO)[NH2+]Cc2nncn2C)CC1 ZINC001448887841 891801942 /nfs/dbraw/zinc/80/19/42/891801942.db2.gz BUAVMZBGWAJDCK-JTQLQIEISA-N 1 2 297.359 -1.192 20 0 CAADLO Cn1nnnc1C[NH2+][C@@H](CO)CNC(=O)C1CC2(CC2)C1 ZINC001448897211 891805249 /nfs/dbraw/zinc/80/52/49/891805249.db2.gz BJKQMCUOBCUNES-SNVBAGLBSA-N 1 2 294.359 -1.033 20 0 CAADLO O=C(NC[C@H](CO)[NH2+]Cc1ccon1)c1c[nH]c(=O)cn1 ZINC001448895867 891805870 /nfs/dbraw/zinc/80/58/70/891805870.db2.gz MPSVVSMVLAZGMS-SECBINFHSA-N 1 2 293.283 -1.362 20 0 CAADLO O=C(NC[C@@H](CO)[NH2+]Cc1ccon1)c1c[nH]c(=O)cn1 ZINC001448895870 891805925 /nfs/dbraw/zinc/80/59/25/891805925.db2.gz MPSVVSMVLAZGMS-VIFPVBQESA-N 1 2 293.283 -1.362 20 0 CAADLO Cn1ncc(C[NH2+][C@H](CO)CNC(=O)[C@]2(C)CCOC2)n1 ZINC001448913353 891807860 /nfs/dbraw/zinc/80/78/60/891807860.db2.gz BOAAMRYFRWIHMF-WCQYABFASA-N 1 2 297.359 -1.192 20 0 CAADLO Cn1ncc(C[NH2+][C@H](CO)CNC(=O)[C@@]2(C)CCOC2)n1 ZINC001448913350 891808189 /nfs/dbraw/zinc/80/81/89/891808189.db2.gz BOAAMRYFRWIHMF-AAEUAGOBSA-N 1 2 297.359 -1.192 20 0 CAADLO O=C(C[C@H]1CCC(=O)N1)NC[C@@H](CO)[NH2+]Cc1ccon1 ZINC001448918792 891810054 /nfs/dbraw/zinc/81/00/54/891810054.db2.gz GRQJCSWLJSUHAJ-KOLCDFICSA-N 1 2 296.327 -1.090 20 0 CAADLO O=C(C[C@@H]1CCC(=O)N1)NC[C@@H](CO)[NH2+]Cc1ccon1 ZINC001448918810 891810839 /nfs/dbraw/zinc/81/08/39/891810839.db2.gz GRQJCSWLJSUHAJ-ONGXEEELSA-N 1 2 296.327 -1.090 20 0 CAADLO O=C(C[C@H]1CCC(=O)N1)NC[C@H](CO)[NH2+]Cc1ccon1 ZINC001448918802 891811876 /nfs/dbraw/zinc/81/18/76/891811876.db2.gz GRQJCSWLJSUHAJ-MWLCHTKSSA-N 1 2 296.327 -1.090 20 0 CAADLO Cn1ncc(C[NH2+][C@@H](CO)CNC(=O)c2cnn(C)n2)n1 ZINC001448920646 891812370 /nfs/dbraw/zinc/81/23/70/891812370.db2.gz IHYFXYXCNGUPCP-SECBINFHSA-N 1 2 294.319 -2.176 20 0 CAADLO Cn1ncnc1C[NH2+][C@@H](CO)CNC(=O)c1ccncn1 ZINC001448933319 891813181 /nfs/dbraw/zinc/81/31/81/891813181.db2.gz YVQDJLRMMLVXSS-SECBINFHSA-N 1 2 291.315 -1.514 20 0 CAADLO Cc1nonc1C(=O)NC[C@H](CO)[NH2+]Cc1nncn1C ZINC001448950804 891814534 /nfs/dbraw/zinc/81/45/34/891814534.db2.gz FTZOGCASTUWVQO-MRVPVSSYSA-N 1 2 295.303 -1.613 20 0 CAADLO Cc1nonc1C(=O)NC[C@@H](CO)[NH2+]Cc1nncn1C ZINC001448950807 891815134 /nfs/dbraw/zinc/81/51/34/891815134.db2.gz FTZOGCASTUWVQO-QMMMGPOBSA-N 1 2 295.303 -1.613 20 0 CAADLO Cc1nc(C[NH2+][C@H](CO)CNC(=O)Cn2cncn2)co1 ZINC001448958879 891817066 /nfs/dbraw/zinc/81/70/66/891817066.db2.gz ZJJHNGQKLRFASE-JTQLQIEISA-N 1 2 294.315 -1.159 20 0 CAADLO Cc1nnc(C[NH2+]C[C@@H](O)CN(C)C(=O)c2cn[nH]n2)o1 ZINC001449136823 891831705 /nfs/dbraw/zinc/83/17/05/891831705.db2.gz RKSDPRRANYIIHU-MRVPVSSYSA-N 1 2 295.303 -1.281 20 0 CAADLO C[C@@H]([NH2+]C[C@H](O)CN(C)C(=O)Cc1ncn[nH]1)C(N)=O ZINC001449165884 891836634 /nfs/dbraw/zinc/83/66/34/891836634.db2.gz OHJKVBDVOPVGCF-SFYZADRCSA-N 1 2 284.320 -2.370 20 0 CAADLO CN(C[C@H](O)C[N@H+](C)Cc1nc(=O)n(C)[nH]1)C(=O)C1CC1 ZINC001449175926 891837099 /nfs/dbraw/zinc/83/70/99/891837099.db2.gz JOIMXVZCIVVOPM-SNVBAGLBSA-N 1 2 297.359 -1.231 20 0 CAADLO CN(C[C@H](O)C[N@@H+](C)Cc1nc(=O)n(C)[nH]1)C(=O)C1CC1 ZINC001449175926 891837108 /nfs/dbraw/zinc/83/71/08/891837108.db2.gz JOIMXVZCIVVOPM-SNVBAGLBSA-N 1 2 297.359 -1.231 20 0 CAADLO C[C@@H]([NH2+]C[C@@H](O)CN(C)C(=O)Cc1ncn[nH]1)C(N)=O ZINC001449165880 891838326 /nfs/dbraw/zinc/83/83/26/891838326.db2.gz OHJKVBDVOPVGCF-HTQZYQBOSA-N 1 2 284.320 -2.370 20 0 CAADLO C[C@H](C(N)=O)[N@H+](C)C[C@H](O)CN(C)C(=O)Cc1ccn[nH]1 ZINC001449192777 891842542 /nfs/dbraw/zinc/84/25/42/891842542.db2.gz VGMJZURZNCEVLY-KOLCDFICSA-N 1 2 297.359 -1.423 20 0 CAADLO C[C@H](C(N)=O)[N@@H+](C)C[C@H](O)CN(C)C(=O)Cc1ccn[nH]1 ZINC001449192777 891842550 /nfs/dbraw/zinc/84/25/50/891842550.db2.gz VGMJZURZNCEVLY-KOLCDFICSA-N 1 2 297.359 -1.423 20 0 CAADLO CN(C[C@@H](O)C[N@H+](C)CC(N)=O)C(=O)CCc1cn[nH]n1 ZINC001449218870 891844268 /nfs/dbraw/zinc/84/42/68/891844268.db2.gz UYIUGVWDKRNJDD-JTQLQIEISA-N 1 2 298.347 -2.026 20 0 CAADLO CN(C[C@@H](O)C[N@@H+](C)CC(N)=O)C(=O)CCc1cn[nH]n1 ZINC001449218870 891844275 /nfs/dbraw/zinc/84/42/75/891844275.db2.gz UYIUGVWDKRNJDD-JTQLQIEISA-N 1 2 298.347 -2.026 20 0 CAADLO CN(C[C@@H](O)C[N@H+](C)CC(N)=O)C(=O)CCc1c[nH]nn1 ZINC001449218870 891844283 /nfs/dbraw/zinc/84/42/83/891844283.db2.gz UYIUGVWDKRNJDD-JTQLQIEISA-N 1 2 298.347 -2.026 20 0 CAADLO CN(C[C@@H](O)C[N@@H+](C)CC(N)=O)C(=O)CCc1c[nH]nn1 ZINC001449218870 891844288 /nfs/dbraw/zinc/84/42/88/891844288.db2.gz UYIUGVWDKRNJDD-JTQLQIEISA-N 1 2 298.347 -2.026 20 0 CAADLO COCC[N@H+](CCNC(=O)c1[nH]nnc1C)[C@H](C)C(N)=O ZINC001449336339 891846948 /nfs/dbraw/zinc/84/69/48/891846948.db2.gz GPRYMANXAUFBFR-SECBINFHSA-N 1 2 298.347 -1.335 20 0 CAADLO COCC[N@@H+](CCNC(=O)c1[nH]nnc1C)[C@H](C)C(N)=O ZINC001449336339 891846959 /nfs/dbraw/zinc/84/69/59/891846959.db2.gz GPRYMANXAUFBFR-SECBINFHSA-N 1 2 298.347 -1.335 20 0 CAADLO COCC[N@H+](CCNC(=O)c1cn(C)nn1)CC(N)=O ZINC001449331991 891849155 /nfs/dbraw/zinc/84/91/55/891849155.db2.gz XKTYGZMPHJJIRB-UHFFFAOYSA-N 1 2 284.320 -2.021 20 0 CAADLO COCC[N@@H+](CCNC(=O)c1cn(C)nn1)CC(N)=O ZINC001449331991 891849168 /nfs/dbraw/zinc/84/91/68/891849168.db2.gz XKTYGZMPHJJIRB-UHFFFAOYSA-N 1 2 284.320 -2.021 20 0 CAADLO COCC(=O)NC1(CCO)CN(C(=O)Cn2cc[nH+]c2)C1 ZINC001450110772 891861398 /nfs/dbraw/zinc/86/13/98/891861398.db2.gz VZZCIZKAQOWEKZ-UHFFFAOYSA-N 1 2 296.327 -1.391 20 0 CAADLO C[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)N(C)C(=O)CNC(N)=O ZINC001450108627 891862278 /nfs/dbraw/zinc/86/22/78/891862278.db2.gz QOLCGQWOWHMETQ-QMMMGPOBSA-N 1 2 296.331 -1.416 20 0 CAADLO C[C@H](CNC(=O)Cc1c[nH]c[nH+]1)N(C)C(=O)CNC(N)=O ZINC001450108624 891863247 /nfs/dbraw/zinc/86/32/47/891863247.db2.gz QOLCGQWOWHMETQ-MRVPVSSYSA-N 1 2 296.331 -1.416 20 0 CAADLO NC(=O)CCCC(=O)N1CC(NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001450478859 891875841 /nfs/dbraw/zinc/87/58/41/891875841.db2.gz FKKCDMYUMHVYJE-UHFFFAOYSA-N 1 2 293.327 -1.065 20 0 CAADLO NC(=O)N[C@H](CO)C(=O)N1CCn2c[nH+]cc2C1 ZINC001450723530 891879482 /nfs/dbraw/zinc/87/94/82/891879482.db2.gz XDUQUCKBHMFYKE-MRVPVSSYSA-N 1 2 253.262 -1.746 20 0 CAADLO O=C(Cc1[nH]cc[nH+]1)NC[C@@H](O)Cn1ccnn1 ZINC001451060202 891883971 /nfs/dbraw/zinc/88/39/71/891883971.db2.gz FICITJDFTWKRBV-MRVPVSSYSA-N 1 2 250.262 -1.279 20 0 CAADLO CCOCC(=O)NC[C@@H](CO)NC(=O)Cc1[nH]cc[nH+]1 ZINC001451317742 891897424 /nfs/dbraw/zinc/89/74/24/891897424.db2.gz NJMHINDIIUYCIM-VIFPVBQESA-N 1 2 284.316 -1.418 20 0 CAADLO CCO[C@@H](C)C(=O)NC[C@@H](CO)NC(=O)Cn1cc[nH+]c1 ZINC001451332482 891898149 /nfs/dbraw/zinc/89/81/49/891898149.db2.gz DGGWLFLGOPDRND-QWRGUYRKSA-N 1 2 298.343 -1.099 20 0 CAADLO CO[C@@H](C)C(=O)N[C@@H](CO)CNC(=O)CCn1cc[nH+]c1 ZINC001451454795 891908574 /nfs/dbraw/zinc/90/85/74/891908574.db2.gz IIQLMHPKWRJSHP-WDEREUQCSA-N 1 2 298.343 -1.099 20 0 CAADLO CO[C@H](C)C(=O)N[C@@H](CO)CNC(=O)CCn1cc[nH+]c1 ZINC001451454785 891909173 /nfs/dbraw/zinc/90/91/73/891909173.db2.gz IIQLMHPKWRJSHP-GHMZBOCLSA-N 1 2 298.343 -1.099 20 0 CAADLO CC[C@H](OC)C(=O)N[C@@H](CO)CNC(=O)Cn1cc[nH+]c1 ZINC001451428337 891909298 /nfs/dbraw/zinc/90/92/98/891909298.db2.gz QMERROIPPYJFKO-MNOVXSKESA-N 1 2 298.343 -1.099 20 0 CAADLO O=C(Cn1cc[nH+]c1)NC[C@@H](CO)NC(=O)c1cnco1 ZINC001451425444 891909807 /nfs/dbraw/zinc/90/98/07/891909807.db2.gz KEEHGXQCYYQXBD-VIFPVBQESA-N 1 2 293.283 -1.222 20 0 CAADLO CC[C@H](OC)C(=O)N[C@H](CO)CNC(=O)Cn1cc[nH+]c1 ZINC001451428342 891910098 /nfs/dbraw/zinc/91/00/98/891910098.db2.gz QMERROIPPYJFKO-QWRGUYRKSA-N 1 2 298.343 -1.099 20 0 CAADLO CO[C@@H](C)C(=O)N[C@@H](CO)CNC(=O)Cn1cc[nH+]c1 ZINC001451427872 891910637 /nfs/dbraw/zinc/91/06/37/891910637.db2.gz OWEDSUMJDZAJFC-VHSXEESVSA-N 1 2 284.316 -1.489 20 0 CAADLO CO[C@@H](C)C(=O)N[C@H](CO)CNC(=O)CCn1cc[nH+]c1 ZINC001451454791 891910825 /nfs/dbraw/zinc/91/08/25/891910825.db2.gz IIQLMHPKWRJSHP-QWRGUYRKSA-N 1 2 298.343 -1.099 20 0 CAADLO COCC(=O)N[C@@H](CO)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001451523578 891916937 /nfs/dbraw/zinc/91/69/37/891916937.db2.gz QZTFREUWIWBZTO-MRVPVSSYSA-N 1 2 270.289 -1.808 20 0 CAADLO COCC(=O)N(C)C[C@@H](O)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001451784394 891925925 /nfs/dbraw/zinc/92/59/25/891925925.db2.gz RCKIGGZWRWNFAE-VIFPVBQESA-N 1 2 284.316 -1.466 20 0 CAADLO COCCC(=O)NC[C@@H](O)CN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001451919262 891929671 /nfs/dbraw/zinc/92/96/71/891929671.db2.gz NYVOXTYQEDEWHS-SNVBAGLBSA-N 1 2 298.343 -1.076 20 0 CAADLO CC(=O)N[C@@H](CC(=O)N[C@H]1CCc2c[nH+]cn2C1)C(N)=O ZINC001452138589 891932407 /nfs/dbraw/zinc/93/24/07/891932407.db2.gz BDSQUVRYDUBCCK-ONGXEEELSA-N 1 2 293.327 -1.306 20 0 CAADLO COCC(=O)NC[C@H](O)CNC(=O)Cc1[nH]c[nH+]c1C ZINC001452228284 891939652 /nfs/dbraw/zinc/93/96/52/891939652.db2.gz IMJWAMPSQKZCRI-SECBINFHSA-N 1 2 284.316 -1.500 20 0 CAADLO COCC(=O)NC[C@@H](O)CNC(=O)Cc1[nH]c[nH+]c1C ZINC001452228287 891940413 /nfs/dbraw/zinc/94/04/13/891940413.db2.gz IMJWAMPSQKZCRI-VIFPVBQESA-N 1 2 284.316 -1.500 20 0 CAADLO CO[C@@H](C)C(=O)NC[C@H](O)CNC(=O)Cc1c[nH+]cn1C ZINC001452288131 891942220 /nfs/dbraw/zinc/94/22/20/891942220.db2.gz RPAQOCMRTWPWRU-GXSJLCMTSA-N 1 2 298.343 -1.409 20 0 CAADLO O=C(Cc1[nH]cc[nH+]1)NC[C@@H](O)CNC(=O)[C@@H]1CCOC1 ZINC001452307876 891945166 /nfs/dbraw/zinc/94/51/66/891945166.db2.gz PJRWULGNSCSZNN-NXEZZACHSA-N 1 2 296.327 -1.418 20 0 CAADLO CCOCC(=O)N[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1O ZINC001452630401 891957730 /nfs/dbraw/zinc/95/77/30/891957730.db2.gz ZFIZPSRYCIUONK-GHMZBOCLSA-N 1 2 296.327 -1.323 20 0 CAADLO C[C@H]1C[N@H+](CCNC(=O)Cn2nnc(N)n2)[C@@H](C)CO1 ZINC001453169004 891971336 /nfs/dbraw/zinc/97/13/36/891971336.db2.gz QXEDGNFIGTXVMI-IUCAKERBSA-N 1 2 283.336 -1.519 20 0 CAADLO C[C@H]1C[N@@H+](CCNC(=O)Cn2nnc(N)n2)[C@@H](C)CO1 ZINC001453169004 891971346 /nfs/dbraw/zinc/97/13/46/891971346.db2.gz QXEDGNFIGTXVMI-IUCAKERBSA-N 1 2 283.336 -1.519 20 0 CAADLO COCC(=O)N[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1O ZINC001453231106 891973186 /nfs/dbraw/zinc/97/31/86/891973186.db2.gz KVOKULQWHKHNHQ-GHMZBOCLSA-N 1 2 296.327 -1.323 20 0 CAADLO COCC(=O)N[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1O ZINC001453231108 891973519 /nfs/dbraw/zinc/97/35/19/891973519.db2.gz KVOKULQWHKHNHQ-MNOVXSKESA-N 1 2 296.327 -1.323 20 0 CAADLO COCC(=O)N[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1O ZINC001453231117 891974319 /nfs/dbraw/zinc/97/43/19/891974319.db2.gz KVOKULQWHKHNHQ-WDEREUQCSA-N 1 2 296.327 -1.323 20 0 CAADLO C[C@H](NC(N)=O)C(=O)NCC[N@@H+]1CCC2(C1)OCCO2 ZINC001453781001 891982070 /nfs/dbraw/zinc/98/20/70/891982070.db2.gz GUPSHIQSUSRISZ-VIFPVBQESA-N 1 2 286.332 -1.392 20 0 CAADLO C[C@H](NC(N)=O)C(=O)NCC[N@H+]1CCC2(C1)OCCO2 ZINC001453781001 891982084 /nfs/dbraw/zinc/98/20/84/891982084.db2.gz GUPSHIQSUSRISZ-VIFPVBQESA-N 1 2 286.332 -1.392 20 0 CAADLO NS(=O)(=O)NC1CN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001454372739 892000889 /nfs/dbraw/zinc/00/08/89/892000889.db2.gz BHNPUFITSOVESW-UHFFFAOYSA-N 1 2 259.291 -2.044 20 0 CAADLO O=C(CC[NH+]1CCOCC1)NCc1nc(CO)n[nH]1 ZINC001453806915 891983633 /nfs/dbraw/zinc/98/36/33/891983633.db2.gz QEMBUBUBJGASSU-UHFFFAOYSA-N 1 2 269.305 -1.365 20 0 CAADLO COCC(=O)NC[C@@]1(O)CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001454069913 891986784 /nfs/dbraw/zinc/98/67/84/891986784.db2.gz WZGULPGOSLVGBB-ZDUSSCGKSA-N 1 2 296.327 -1.322 20 0 CAADLO NC(=O)Cn1cc(C(=O)N[C@H]2CCn3c[nH+]cc32)nn1 ZINC001454150900 891990231 /nfs/dbraw/zinc/99/02/31/891990231.db2.gz JWOZSPVWKPRCTP-ZETCQYMHSA-N 1 2 275.272 -1.165 20 0 CAADLO NC(=O)Cn1cc(C(=O)N[C@@H]2CCn3c[nH+]cc32)nn1 ZINC001454150898 891991436 /nfs/dbraw/zinc/99/14/36/891991436.db2.gz JWOZSPVWKPRCTP-SSDOTTSWSA-N 1 2 275.272 -1.165 20 0 CAADLO Cn1c[nH+]cc1[C@@H](CO)NC(=O)CCCS(N)(=O)=O ZINC001454176827 891993672 /nfs/dbraw/zinc/99/36/72/891993672.db2.gz ZVSLTBKSLXCRIX-MRVPVSSYSA-N 1 2 290.345 -1.362 20 0 CAADLO CCS(=O)(=O)NCC(=O)N[C@H](CO)c1c[nH+]cn1C ZINC001454171109 891994077 /nfs/dbraw/zinc/99/40/77/891994077.db2.gz SOVKQKSZHQFBFY-MRVPVSSYSA-N 1 2 290.345 -1.491 20 0 CAADLO CC(C)(C(=O)N1C[C@@H](C(N)=O)[C@H](C(N)=O)C1)c1c[nH+]c[nH]1 ZINC001454168147 891994147 /nfs/dbraw/zinc/99/41/47/891994147.db2.gz OIHQGNFMWZBZJY-HTQZYQBOSA-N 1 2 293.327 -1.268 20 0 CAADLO Cc1nn(CC(=O)N[C@H](CO)c2c[nH+]cn2C)c(=O)o1 ZINC001454172564 891994960 /nfs/dbraw/zinc/99/49/60/891994960.db2.gz LYHLCCABYITVLJ-MRVPVSSYSA-N 1 2 281.272 -1.272 20 0 CAADLO Cn1c[nH+]cc1[C@@H](CO)NC(=O)[C@@H]1COCCO1 ZINC001454172359 891995328 /nfs/dbraw/zinc/99/53/28/891995328.db2.gz UWSTUDDZXUSQAW-SCZZXKLOSA-N 1 2 255.274 -1.015 20 0 CAADLO NC(=O)C[NH+]1CCC(NC(=O)CCCc2nn[nH]n2)CC1 ZINC001454368055 892002239 /nfs/dbraw/zinc/00/22/39/892002239.db2.gz DPCUXPJOZPIORH-UHFFFAOYSA-N 1 2 295.347 -1.412 20 0 CAADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1CS(=O)(=O)C[C@H]1O ZINC001454428634 892004933 /nfs/dbraw/zinc/00/49/33/892004933.db2.gz DQCWJQTXYMIBPW-FXBDTBDDSA-N 1 2 287.341 -1.138 20 0 CAADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1CS(=O)(=O)C[C@H]1O ZINC001454428634 892004949 /nfs/dbraw/zinc/00/49/49/892004949.db2.gz DQCWJQTXYMIBPW-FXBDTBDDSA-N 1 2 287.341 -1.138 20 0 CAADLO C[C@H](CNC(=O)CCn1cc[nH+]c1)NC(=O)CNC(N)=O ZINC001454693182 892013182 /nfs/dbraw/zinc/01/31/82/892013182.db2.gz KTHBGGKNFUIPTH-SECBINFHSA-N 1 2 296.331 -1.438 20 0 CAADLO C[C@H](CNC(=O)Cn1cc[nH+]c1)NC(=O)CNC(N)=O ZINC001454660023 892014635 /nfs/dbraw/zinc/01/46/35/892014635.db2.gz ODBOAXJVZHOBOG-MRVPVSSYSA-N 1 2 282.304 -1.828 20 0 CAADLO O=C(Cn1cncn1)N[C@H](CO)Cc1c[nH]c[nH+]1 ZINC001455023662 892022324 /nfs/dbraw/zinc/02/23/24/892022324.db2.gz DEDMOANMYOKEBH-VIFPVBQESA-N 1 2 250.262 -1.279 20 0 CAADLO O=C(Cn1cncn1)N[C@H](CO)Cc1c[nH+]c[nH]1 ZINC001455023662 892022337 /nfs/dbraw/zinc/02/23/37/892022337.db2.gz DEDMOANMYOKEBH-VIFPVBQESA-N 1 2 250.262 -1.279 20 0 CAADLO O=C(CN1CCOCC1)N[C@H](CO)Cc1c[nH]c[nH+]1 ZINC001455023544 892021668 /nfs/dbraw/zinc/02/16/68/892021668.db2.gz CPMLIHPONVVEID-NSHDSACASA-N 1 2 268.317 -1.239 20 0 CAADLO O=C(CN1CCOCC1)N[C@H](CO)Cc1c[nH+]c[nH]1 ZINC001455023544 892021684 /nfs/dbraw/zinc/02/16/84/892021684.db2.gz CPMLIHPONVVEID-NSHDSACASA-N 1 2 268.317 -1.239 20 0 CAADLO CS(=O)(=O)NCCC(=O)N[C@H](CO)Cc1c[nH]c[nH+]1 ZINC001455022347 892022232 /nfs/dbraw/zinc/02/22/32/892022232.db2.gz QVRYPFNZHJOPHE-VIFPVBQESA-N 1 2 290.345 -1.631 20 0 CAADLO CS(=O)(=O)NCCC(=O)N[C@H](CO)Cc1c[nH+]c[nH]1 ZINC001455022347 892022250 /nfs/dbraw/zinc/02/22/50/892022250.db2.gz QVRYPFNZHJOPHE-VIFPVBQESA-N 1 2 290.345 -1.631 20 0 CAADLO CN1C[C@@H](C(=O)N[C@H](CO)Cc2c[nH+]c[nH]2)CC1=O ZINC001455028109 892023110 /nfs/dbraw/zinc/02/31/10/892023110.db2.gz UHMWRBKFUDSOPE-WPRPVWTQSA-N 1 2 266.301 -1.092 20 0 CAADLO CN1C[C@@H](C(=O)N[C@H](CO)Cc2c[nH]c[nH+]2)CC1=O ZINC001455028109 892023092 /nfs/dbraw/zinc/02/30/92/892023092.db2.gz UHMWRBKFUDSOPE-WPRPVWTQSA-N 1 2 266.301 -1.092 20 0 CAADLO C[C@H](NS(C)(=O)=O)C(=O)N[C@H](CO)Cc1c[nH]c[nH+]1 ZINC001455025587 892023396 /nfs/dbraw/zinc/02/33/96/892023396.db2.gz KAAVBFBLYFWIRE-CBAPKCEASA-N 1 2 290.345 -1.633 20 0 CAADLO C[C@H](NS(C)(=O)=O)C(=O)N[C@H](CO)Cc1c[nH+]c[nH]1 ZINC001455025587 892023411 /nfs/dbraw/zinc/02/34/11/892023411.db2.gz KAAVBFBLYFWIRE-CBAPKCEASA-N 1 2 290.345 -1.633 20 0 CAADLO CC(=O)NCC(=O)NCCN(C)C(=O)Cc1[nH]c[nH+]c1C ZINC001455133426 892024631 /nfs/dbraw/zinc/02/46/31/892024631.db2.gz VYIYKGTUMBULPS-UHFFFAOYSA-N 1 2 295.343 -1.029 20 0 CAADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H]1CCCNC1=O ZINC001455320749 892037329 /nfs/dbraw/zinc/03/73/29/892037329.db2.gz DRXBVFLRISNDBH-ZJUUUORDSA-N 1 2 293.327 -1.291 20 0 CAADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H]1CCCNC1=O ZINC001455320749 892037351 /nfs/dbraw/zinc/03/73/51/892037351.db2.gz DRXBVFLRISNDBH-ZJUUUORDSA-N 1 2 293.327 -1.291 20 0 CAADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CC(N)=O ZINC001455320668 892037704 /nfs/dbraw/zinc/03/77/04/892037704.db2.gz BBKIFCPQKXZYGT-ZETCQYMHSA-N 1 2 253.262 -1.942 20 0 CAADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CC(N)=O ZINC001455320668 892037721 /nfs/dbraw/zinc/03/77/21/892037721.db2.gz BBKIFCPQKXZYGT-ZETCQYMHSA-N 1 2 253.262 -1.942 20 0 CAADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CN1CCOC1=O ZINC001455323559 892038763 /nfs/dbraw/zinc/03/87/63/892038763.db2.gz PKANUUHECSWOJU-VIFPVBQESA-N 1 2 295.299 -1.365 20 0 CAADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CN1CCOC1=O ZINC001455323559 892038783 /nfs/dbraw/zinc/03/87/83/892038783.db2.gz PKANUUHECSWOJU-VIFPVBQESA-N 1 2 295.299 -1.365 20 0 CAADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1nccnc1N ZINC001455322780 892039259 /nfs/dbraw/zinc/03/92/59/892039259.db2.gz NWEPONWNFMOZEJ-QMMMGPOBSA-N 1 2 289.299 -1.131 20 0 CAADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1nccnc1N ZINC001455322780 892039278 /nfs/dbraw/zinc/03/92/78/892039278.db2.gz NWEPONWNFMOZEJ-QMMMGPOBSA-N 1 2 289.299 -1.131 20 0 CAADLO Cc1[nH+]c[nH]c1CC(=O)NCCN(C)C(=O)CNC(N)=O ZINC001455395158 892040289 /nfs/dbraw/zinc/04/02/89/892040289.db2.gz LEZLYBMUIDLMAJ-UHFFFAOYSA-N 1 2 296.331 -1.496 20 0 CAADLO C[C@H](NC(N)=O)C(=O)N(C)CCNC(=O)Cc1[nH]cc[nH+]1 ZINC001455436493 892043649 /nfs/dbraw/zinc/04/36/49/892043649.db2.gz YWNFQQSOCNVGKW-QMMMGPOBSA-N 1 2 296.331 -1.416 20 0 CAADLO CC(=O)N(C)CC(=O)N1CC(NC(=O)Cn2cc[nH+]c2)C1 ZINC001456315282 892070675 /nfs/dbraw/zinc/07/06/75/892070675.db2.gz CMSBNUMPMCZIFY-UHFFFAOYSA-N 1 2 293.327 -1.312 20 0 CAADLO COC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)CCC(N)=O ZINC001456308936 892072149 /nfs/dbraw/zinc/07/21/49/892072149.db2.gz GVZJCXGLHVEHDV-MRVPVSSYSA-N 1 2 268.273 -1.125 20 0 CAADLO COC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)CCC(N)=O ZINC001456308936 892072167 /nfs/dbraw/zinc/07/21/67/892072167.db2.gz GVZJCXGLHVEHDV-MRVPVSSYSA-N 1 2 268.273 -1.125 20 0 CAADLO NC(=O)NCC(=O)N1CC(CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001456568827 892083457 /nfs/dbraw/zinc/08/34/57/892083457.db2.gz NVLZKYUXYNQSPT-UHFFFAOYSA-N 1 2 294.315 -1.805 20 0 CAADLO CC[C@H](CNC(=O)Cn1cc[nH+]c1)NC(=O)CNC(N)=O ZINC001456840877 892089780 /nfs/dbraw/zinc/08/97/80/892089780.db2.gz GTYVZSYNQLASTG-SECBINFHSA-N 1 2 296.331 -1.438 20 0 CAADLO Cn1ncc(CCC(=O)NC[C@@H]2C[NH+]3CCN2CC3)n1 ZINC001457717338 892099364 /nfs/dbraw/zinc/09/93/64/892099364.db2.gz NJAYWBXVQAFPEW-GFCCVEGCSA-N 1 2 278.360 -1.136 20 0 CAADLO O=C(NCCC[N@@H+]1CCNC(=O)C1)c1ns[nH]c1=O ZINC001457722742 892099820 /nfs/dbraw/zinc/09/98/20/892099820.db2.gz DWIVQNDAPRJPNH-UHFFFAOYSA-N 1 2 285.329 -1.205 20 0 CAADLO O=C(NCCC[N@H+]1CCNC(=O)C1)c1ns[nH]c1=O ZINC001457722742 892099835 /nfs/dbraw/zinc/09/98/35/892099835.db2.gz DWIVQNDAPRJPNH-UHFFFAOYSA-N 1 2 285.329 -1.205 20 0 CAADLO CNC(=O)[C@H](O)CNC(=O)CCc1c[nH+]cn1C ZINC001457747137 892100598 /nfs/dbraw/zinc/10/05/98/892100598.db2.gz DLIHXBUUCALFNV-SECBINFHSA-N 1 2 254.290 -1.424 20 0 CAADLO CO[C@H](C)C(=O)NC[C@@H](O)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001457923696 892107584 /nfs/dbraw/zinc/10/75/84/892107584.db2.gz CRYUADCYPXQPNA-SCZZXKLOSA-N 1 2 284.316 -1.420 20 0 CAADLO CO[C@H](C)C(=O)NC[C@H](O)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001457923689 892108008 /nfs/dbraw/zinc/10/80/08/892108008.db2.gz CRYUADCYPXQPNA-PSASIEDQSA-N 1 2 284.316 -1.420 20 0 CAADLO COC[C@@H](C)C(=O)NC[C@H](O)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001457946767 892112743 /nfs/dbraw/zinc/11/27/43/892112743.db2.gz UBJDIECQIRIFTB-MWLCHTKSSA-N 1 2 298.343 -1.172 20 0 CAADLO Cn1ncc2c1nc[nH+]c2N1CC(S(N)(=O)=O)C1 ZINC001458427912 892121994 /nfs/dbraw/zinc/12/19/94/892121994.db2.gz QVRGSHFEINHEJV-UHFFFAOYSA-N 1 2 268.302 -1.160 20 0 CAADLO C[C@@H](CNC(=O)Cc1nc[nH]n1)NC(=O)Cn1cc[nH+]c1 ZINC001458453627 892123765 /nfs/dbraw/zinc/12/37/65/892123765.db2.gz WTYYFSPLFKWFQQ-VIFPVBQESA-N 1 2 291.315 -1.135 20 0 CAADLO Cn1nnnc1CCN1CC[NH+](CC[S@@](C)=O)CC1 ZINC001459674050 892137081 /nfs/dbraw/zinc/13/70/81/892137081.db2.gz VVMRQFZCKPELQW-LJQANCHMSA-N 1 2 286.405 -1.251 20 0 CAADLO COCCN1CC[N@H+](C[C@H](O)C(C)(C)O)CC1=O ZINC001459777395 892139700 /nfs/dbraw/zinc/13/97/00/892139700.db2.gz FMDVEOORNPBRHD-JTQLQIEISA-N 1 2 260.334 -1.091 20 0 CAADLO COCCN1CC[N@@H+](C[C@H](O)C(C)(C)O)CC1=O ZINC001459777395 892139706 /nfs/dbraw/zinc/13/97/06/892139706.db2.gz FMDVEOORNPBRHD-JTQLQIEISA-N 1 2 260.334 -1.091 20 0 CAADLO O=c1[nH]c(C[NH2+]C(CO)CO)nc2c1COCC2 ZINC001460126395 892139960 /nfs/dbraw/zinc/13/99/60/892139960.db2.gz PVPDVLCIFGWMAQ-UHFFFAOYSA-N 1 2 255.274 -1.302 20 0 CAADLO O=C1NC(=O)N2CC[N@@H+](C[C@H](O)C[C@@]3(O)CCOC3)C[C@@H]12 ZINC001459877046 892140187 /nfs/dbraw/zinc/14/01/87/892140187.db2.gz QFVATIYRXKQZGW-NRUUGDAUSA-N 1 2 299.327 -1.875 20 0 CAADLO O=C1NC(=O)N2CC[N@H+](C[C@H](O)C[C@@]3(O)CCOC3)C[C@@H]12 ZINC001459877046 892140197 /nfs/dbraw/zinc/14/01/97/892140197.db2.gz QFVATIYRXKQZGW-NRUUGDAUSA-N 1 2 299.327 -1.875 20 0 CAADLO Cn1[nH]c(C[NH+]2CCC(O)(C(N)=O)CC2)nc1=O ZINC001460102678 892141496 /nfs/dbraw/zinc/14/14/96/892141496.db2.gz WGWCHSPBUYLMJM-UHFFFAOYSA-N 1 2 255.278 -2.079 20 0 CAADLO C[C@@H](NC(=O)C[N@H+](C)CCn1cnnc1)C(=O)N(C)C ZINC001460753195 892151495 /nfs/dbraw/zinc/15/14/95/892151495.db2.gz MTUOVGOMERRMRB-SNVBAGLBSA-N 1 2 282.348 -1.197 20 0 CAADLO C[C@@H](NC(=O)C[N@@H+](C)CCn1cnnc1)C(=O)N(C)C ZINC001460753195 892151500 /nfs/dbraw/zinc/15/15/00/892151500.db2.gz MTUOVGOMERRMRB-SNVBAGLBSA-N 1 2 282.348 -1.197 20 0 CAADLO C[C@H](NC(=O)C[N@H+](C)CCn1cnnc1)C(=O)N(C)C ZINC001460753194 892152404 /nfs/dbraw/zinc/15/24/04/892152404.db2.gz MTUOVGOMERRMRB-JTQLQIEISA-N 1 2 282.348 -1.197 20 0 CAADLO C[C@H](NC(=O)C[N@@H+](C)CCn1cnnc1)C(=O)N(C)C ZINC001460753194 892152416 /nfs/dbraw/zinc/15/24/16/892152416.db2.gz MTUOVGOMERRMRB-JTQLQIEISA-N 1 2 282.348 -1.197 20 0 CAADLO CC(C)NS(=O)(=O)NCC[NH2+]Cc1ncnn1C ZINC001461432517 892155204 /nfs/dbraw/zinc/15/52/04/892155204.db2.gz IJBYUKVRBBMDQE-UHFFFAOYSA-N 1 2 276.366 -1.263 20 0 CAADLO CCn1ncc(C[NH2+]C[C@@]2(O)CCS(=O)(=O)C2)n1 ZINC001461509142 892155677 /nfs/dbraw/zinc/15/56/77/892155677.db2.gz FEJCOKOSKMOHFZ-JTQLQIEISA-N 1 2 274.346 -1.063 20 0 CAADLO O=c1[nH]ccn2c(C[N@@H+]3C[C@H](CO)[C@@H](CCO)C3)nnc12 ZINC001460968766 892156379 /nfs/dbraw/zinc/15/63/79/892156379.db2.gz YIRFDQPEAJIYIN-VHSXEESVSA-N 1 2 293.327 -1.160 20 0 CAADLO O=c1[nH]ccn2c(C[N@H+]3C[C@H](CO)[C@@H](CCO)C3)nnc12 ZINC001460968766 892156394 /nfs/dbraw/zinc/15/63/94/892156394.db2.gz YIRFDQPEAJIYIN-VHSXEESVSA-N 1 2 293.327 -1.160 20 0 CAADLO C[C@H](CNCc1cn(CC(N)=O)nn1)N1CC[NH+](C)CC1 ZINC001461178333 892157376 /nfs/dbraw/zinc/15/73/76/892157376.db2.gz MFPVNGQSESOTPO-LLVKDONJSA-N 1 2 295.391 -1.511 20 0 CAADLO C[C@@H](CNCc1cn(CC(N)=O)nn1)N1CC[NH+](C)CC1 ZINC001461178355 892157630 /nfs/dbraw/zinc/15/76/30/892157630.db2.gz MFPVNGQSESOTPO-NSHDSACASA-N 1 2 295.391 -1.511 20 0 CAADLO CC[C@H]([NH2+]Cc1cn(CC(N)=O)nn1)C(=O)NC ZINC001461576597 892157801 /nfs/dbraw/zinc/15/78/01/892157801.db2.gz IOOZQETVQLFLMV-QMMMGPOBSA-N 1 2 254.294 -1.622 20 0 CAADLO NS(=O)(=O)c1ccc(C[N@@H+]2C[C@@H]3C(=O)NC(=O)[C@@H]3C2)o1 ZINC001462254766 892159053 /nfs/dbraw/zinc/15/90/53/892159053.db2.gz JLYVJIXXWFEKGC-OCAPTIKFSA-N 1 2 299.308 -1.369 20 0 CAADLO NS(=O)(=O)c1ccc(C[N@H+]2C[C@@H]3C(=O)NC(=O)[C@@H]3C2)o1 ZINC001462254766 892159063 /nfs/dbraw/zinc/15/90/63/892159063.db2.gz JLYVJIXXWFEKGC-OCAPTIKFSA-N 1 2 299.308 -1.369 20 0 CAADLO CN1CC[N@H+](C)C[C@@H]1CNS(=O)(=O)[C@@H]1COC[C@H]1O ZINC001463076801 892163528 /nfs/dbraw/zinc/16/35/28/892163528.db2.gz NOPVSBNCWAPEBB-HBNTYKKESA-N 1 2 293.389 -2.089 20 0 CAADLO CN1CC[N@@H+](C)C[C@@H]1CNS(=O)(=O)[C@@H]1COC[C@H]1O ZINC001463076801 892163539 /nfs/dbraw/zinc/16/35/39/892163539.db2.gz NOPVSBNCWAPEBB-HBNTYKKESA-N 1 2 293.389 -2.089 20 0 CAADLO C[C@H]1CN(S(=O)(=O)N2CC[NH+](C)CC2)C[C@H](CO)O1 ZINC001463525305 892166956 /nfs/dbraw/zinc/16/69/56/892166956.db2.gz DRQZRDNRONGZEL-WDEREUQCSA-N 1 2 293.389 -1.440 20 0 CAADLO C[C@@H]1CN(S(=O)(=O)N2CC[NH+](C)CC2)C[C@@H](CO)O1 ZINC001463525299 892167665 /nfs/dbraw/zinc/16/76/65/892167665.db2.gz DRQZRDNRONGZEL-MNOVXSKESA-N 1 2 293.389 -1.440 20 0 CAADLO CC(C)C[C@H](C(=O)NC(C(N)=O)C(N)=O)n1cc[nH+]c1 ZINC001463899734 892174482 /nfs/dbraw/zinc/17/44/82/892174482.db2.gz YNUDYQQCIGGVIS-MRVPVSSYSA-N 1 2 281.316 -1.074 20 0 CAADLO CC(C)C[C@@H](C(=O)NC(C(N)=O)C(N)=O)n1cc[nH+]c1 ZINC001463899735 892176080 /nfs/dbraw/zinc/17/60/80/892176080.db2.gz YNUDYQQCIGGVIS-QMMMGPOBSA-N 1 2 281.316 -1.074 20 0 CAADLO COC[C@@H]1C[C@@H](O)CN1S(=O)(=O)N1CC[NH+](C)CC1 ZINC001464006038 892177864 /nfs/dbraw/zinc/17/78/64/892177864.db2.gz KXFUHOAVSMMEBK-WDEREUQCSA-N 1 2 293.389 -1.440 20 0 CAADLO C[C@@H]1C[N@H+](CCNC(=O)[C@H]2C[C@H]2C(N)=O)CCO1 ZINC001464693638 892191754 /nfs/dbraw/zinc/19/17/54/892191754.db2.gz XRSJQQJPEPHPMJ-BBBLOLIVSA-N 1 2 255.318 -1.055 20 0 CAADLO C[C@@H]1C[N@@H+](CCNC(=O)[C@H]2C[C@H]2C(N)=O)CCO1 ZINC001464693638 892191768 /nfs/dbraw/zinc/19/17/68/892191768.db2.gz XRSJQQJPEPHPMJ-BBBLOLIVSA-N 1 2 255.318 -1.055 20 0 CAADLO C[C@H]1C[N@H+](CCNC(=O)[C@H]2C[C@H]2C(N)=O)CCO1 ZINC001464693635 892192962 /nfs/dbraw/zinc/19/29/62/892192962.db2.gz XRSJQQJPEPHPMJ-AEJSXWLSSA-N 1 2 255.318 -1.055 20 0 CAADLO C[C@H]1C[N@@H+](CCNC(=O)[C@H]2C[C@H]2C(N)=O)CCO1 ZINC001464693635 892192968 /nfs/dbraw/zinc/19/29/68/892192968.db2.gz XRSJQQJPEPHPMJ-AEJSXWLSSA-N 1 2 255.318 -1.055 20 0 CAADLO Nc1nnn(CC(=O)N2CC(Oc3cc[nH+]cc3)C2)n1 ZINC001464857685 892194798 /nfs/dbraw/zinc/19/47/98/892194798.db2.gz OZAFKLSMIVGIJO-UHFFFAOYSA-N 1 2 275.272 -1.060 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@@H](NC(=O)Cn2nccc2N)C1 ZINC001464920881 892198358 /nfs/dbraw/zinc/19/83/58/892198358.db2.gz BNRJWZNQDOROTD-SECBINFHSA-N 1 2 280.332 -1.469 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@@H](NC(=O)Cn2nccc2N)C1 ZINC001464920881 892198364 /nfs/dbraw/zinc/19/83/64/892198364.db2.gz BNRJWZNQDOROTD-SECBINFHSA-N 1 2 280.332 -1.469 20 0 CAADLO CC(C)[C@H](NC(N)=O)C(=O)N[C@@H]1CCC[N@H+](CC(N)=O)C1 ZINC001464921973 892198494 /nfs/dbraw/zinc/19/84/94/892198494.db2.gz DQJKZEXSNNYDKA-KOLCDFICSA-N 1 2 299.375 -1.255 20 0 CAADLO CC(C)[C@H](NC(N)=O)C(=O)N[C@@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001464921973 892198500 /nfs/dbraw/zinc/19/85/00/892198500.db2.gz DQJKZEXSNNYDKA-KOLCDFICSA-N 1 2 299.375 -1.255 20 0 CAADLO NC(=O)N[C@H](CO)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC001465975946 892212919 /nfs/dbraw/zinc/21/29/19/892212919.db2.gz DREPZDPCVCNWRE-SECBINFHSA-N 1 2 277.284 -1.020 20 0 CAADLO C[C@@H](CNC(=O)/C=C\C[NH+]1CCOCC1)S(N)(=O)=O ZINC001466148302 892220668 /nfs/dbraw/zinc/22/06/68/892220668.db2.gz ISXRLXDUQWMKCB-ZMWSMAPVSA-N 1 2 291.373 -1.332 20 0 CAADLO CN(C)[C@H](C(=O)N[C@@H]1CN(C)NC1=O)c1c[nH+]cn1C ZINC001466409383 892225285 /nfs/dbraw/zinc/22/52/85/892225285.db2.gz DBXCLJNCDNJVKQ-SCZZXKLOSA-N 1 2 280.332 -1.516 20 0 CAADLO O=C(C[C@@H]1NC(=O)NC1=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC001467288015 892244351 /nfs/dbraw/zinc/24/43/51/892244351.db2.gz CFOCFLWMDHDCMQ-SFYZADRCSA-N 1 2 277.284 -1.088 20 0 CAADLO C[NH+](C)C[C@@H](CO)NC(=O)CC1CS(=O)(=O)C1 ZINC001467814620 892254208 /nfs/dbraw/zinc/25/42/08/892254208.db2.gz PEWDCDLUDVVFIR-VIFPVBQESA-N 1 2 264.347 -1.540 20 0 CAADLO O=C(Cc1c[nH]c[nH+]1)NC[C@@H](O)Cn1ccnn1 ZINC001468821338 892278549 /nfs/dbraw/zinc/27/85/49/892278549.db2.gz QDJCMICLIJXSKA-SECBINFHSA-N 1 2 250.262 -1.279 20 0 CAADLO O=C(Cc1c[nH]c[nH+]1)NC[C@H](O)Cn1ccnn1 ZINC001468821339 892278713 /nfs/dbraw/zinc/27/87/13/892278713.db2.gz QDJCMICLIJXSKA-VIFPVBQESA-N 1 2 250.262 -1.279 20 0 CAADLO Cn1c(CNC(=O)[C@@]2(C)C[C@@H](O)C[N@@H+]2C)n[nH]c1=O ZINC001469511194 892297222 /nfs/dbraw/zinc/29/72/22/892297222.db2.gz DZFUFDDHGWUQAB-RDDDGLTNSA-N 1 2 269.305 -1.408 20 0 CAADLO Cn1c(CNC(=O)[C@@]2(C)C[C@@H](O)C[N@H+]2C)n[nH]c1=O ZINC001469511194 892297233 /nfs/dbraw/zinc/29/72/33/892297233.db2.gz DZFUFDDHGWUQAB-RDDDGLTNSA-N 1 2 269.305 -1.408 20 0 CAADLO Cn1c[nH+]cc1[C@H](CO)NC(=O)[C@H]1CCNC1=O ZINC001470568450 892320364 /nfs/dbraw/zinc/32/03/64/892320364.db2.gz UUFPBLYHUXGPQW-YUMQZZPRSA-N 1 2 252.274 -1.294 20 0 CAADLO Cn1c[nH+]cc1[C@@H](CO)NC(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1 ZINC001470573214 892320637 /nfs/dbraw/zinc/32/06/37/892320637.db2.gz XWGANIUSXUTUTR-HJQYOEGKSA-N 1 2 297.311 -2.018 20 0 CAADLO Cn1c[nH+]cc1[C@@H](CO)NC(=O)CN1C(=O)CN(C)C1=O ZINC001470571587 892321165 /nfs/dbraw/zinc/32/11/65/892321165.db2.gz SMJXCCGUDBSXFY-MRVPVSSYSA-N 1 2 295.299 -1.536 20 0 CAADLO Cn1c[nH+]cc1[C@@H](CO)NC(=O)[C@@H]1CCNC1=O ZINC001470568437 892321499 /nfs/dbraw/zinc/32/14/99/892321499.db2.gz UUFPBLYHUXGPQW-HTQZYQBOSA-N 1 2 252.274 -1.294 20 0 CAADLO Cn1c[nH+]cc1[C@@H](CO)NC(=O)C1(C(N)=O)CC1 ZINC001470573326 892321595 /nfs/dbraw/zinc/32/15/95/892321595.db2.gz YSEZDYRMSLUQKM-SSDOTTSWSA-N 1 2 252.274 -1.165 20 0 CAADLO NC(=O)[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1C(N)=O ZINC001470562603 892322011 /nfs/dbraw/zinc/32/20/11/892322011.db2.gz QHPVMOZZFBOTJU-BQBZGAKWSA-N 1 2 265.273 -2.003 20 0 CAADLO Cn1c[nH+]cc1[C@@H](CO)NC(=O)[C@@H]1COC(=O)N1 ZINC001470566715 892322174 /nfs/dbraw/zinc/32/21/74/892322174.db2.gz FRWVYXFUCJKZQB-RQJHMYQMSA-N 1 2 254.246 -1.322 20 0 CAADLO Cn1c[nH+]cc1[C@H](CO)NC(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1 ZINC001470573215 892322311 /nfs/dbraw/zinc/32/23/11/892322311.db2.gz XWGANIUSXUTUTR-JTLRNRKASA-N 1 2 297.311 -2.018 20 0 CAADLO CC(C)(CNC(=O)[C@@H](CO)NC(N)=O)n1cc[nH+]c1 ZINC001470568486 892322542 /nfs/dbraw/zinc/32/25/42/892322542.db2.gz VAOUOFZLTNGISE-MRVPVSSYSA-N 1 2 269.305 -1.236 20 0 CAADLO COC(=O)NCC(=O)N[C@@H](CO)c1c[nH+]cn1C ZINC001470568244 892323268 /nfs/dbraw/zinc/32/32/68/892323268.db2.gz FHCVFTSZYKJRLF-ZETCQYMHSA-N 1 2 256.262 -1.074 20 0 CAADLO Cc1[nH+]c[nH]c1CC(=O)N1C[C@H](C(N)=O)[C@@H](C(N)=O)C1 ZINC001470562156 892323877 /nfs/dbraw/zinc/32/38/77/892323877.db2.gz MMXHCSYIRLRNTG-YUMQZZPRSA-N 1 2 279.300 -1.694 20 0 CAADLO Cn1c[nH+]cc1[C@H](CO)NC(=O)[C@@H]1CCNC1=O ZINC001470568445 892324080 /nfs/dbraw/zinc/32/40/80/892324080.db2.gz UUFPBLYHUXGPQW-SFYZADRCSA-N 1 2 252.274 -1.294 20 0 CAADLO CNS(=O)(=O)NCC(=O)NCC(C)(C)n1cc[nH+]c1 ZINC001470568004 892324351 /nfs/dbraw/zinc/32/43/51/892324351.db2.gz RKMWXZXOXBPQRH-UHFFFAOYSA-N 1 2 289.361 -1.212 20 0 CAADLO Cc1[nH+]c[nH]c1CC(=O)N1C[C@H](C(N)=O)[C@H](C(N)=O)C1 ZINC001470562155 892324407 /nfs/dbraw/zinc/32/44/07/892324407.db2.gz MMXHCSYIRLRNTG-OCAPTIKFSA-N 1 2 279.300 -1.694 20 0 CAADLO Cn1c[nH+]cc1CNC(=O)NCCCS(N)(=O)=O ZINC001470655980 892325336 /nfs/dbraw/zinc/32/53/36/892325336.db2.gz YUEKGFCPNMSGCR-UHFFFAOYSA-N 1 2 275.334 -1.102 20 0 CAADLO Cn1c[nH+]cc1CCC(=O)N1CC(O)(C(N)=O)C1 ZINC001470772848 892333913 /nfs/dbraw/zinc/33/39/13/892333913.db2.gz QRRRAJSJDFOEBX-UHFFFAOYSA-N 1 2 252.274 -1.589 20 0 CAADLO O=C(N[C@@H]1CS(=O)(=O)C[C@H]1O)[C@H]1CCn2cc[nH+]c2C1 ZINC001470808250 892338716 /nfs/dbraw/zinc/33/87/16/892338716.db2.gz YBYMFPJMRSZZDQ-IVZWLZJFSA-N 1 2 299.352 -1.280 20 0 CAADLO O=C(N[C@H](CO)Cc1c[nH]c[nH+]1)[C@H]1CCNC(=O)C1 ZINC001471334195 892351607 /nfs/dbraw/zinc/35/16/07/892351607.db2.gz RGMOFQNGTIWMKP-WPRPVWTQSA-N 1 2 266.301 -1.045 20 0 CAADLO O=C(N[C@H](CO)Cc1c[nH+]c[nH]1)[C@H]1CCNC(=O)C1 ZINC001471334195 892351621 /nfs/dbraw/zinc/35/16/21/892351621.db2.gz RGMOFQNGTIWMKP-WPRPVWTQSA-N 1 2 266.301 -1.045 20 0 CAADLO O=C(N[C@H](CO)Cc1c[nH]c[nH+]1)[C@H]1CCC(=O)NC1 ZINC001471332981 892352174 /nfs/dbraw/zinc/35/21/74/892352174.db2.gz FEVYSJAXBKVTGV-WPRPVWTQSA-N 1 2 266.301 -1.045 20 0 CAADLO O=C(N[C@H](CO)Cc1c[nH]c[nH+]1)[C@@H]1CCCNC1=O ZINC001471342342 892352079 /nfs/dbraw/zinc/35/20/79/892352079.db2.gz QIBYXEQELBMWLA-VHSXEESVSA-N 1 2 266.301 -1.045 20 0 CAADLO O=C(N[C@H](CO)Cc1c[nH+]c[nH]1)[C@@H]1CCCNC1=O ZINC001471342342 892352096 /nfs/dbraw/zinc/35/20/96/892352096.db2.gz QIBYXEQELBMWLA-VHSXEESVSA-N 1 2 266.301 -1.045 20 0 CAADLO O=C(N[C@H](CO)Cc1c[nH+]c[nH]1)[C@H]1CCC(=O)NC1 ZINC001471332981 892352194 /nfs/dbraw/zinc/35/21/94/892352194.db2.gz FEVYSJAXBKVTGV-WPRPVWTQSA-N 1 2 266.301 -1.045 20 0 CAADLO O=C(N[C@H](CO)Cc1c[nH]c[nH+]1)[C@@H]1CCNC(=O)C1 ZINC001471334193 892353070 /nfs/dbraw/zinc/35/30/70/892353070.db2.gz RGMOFQNGTIWMKP-SCZZXKLOSA-N 1 2 266.301 -1.045 20 0 CAADLO O=C(N[C@H](CO)Cc1c[nH+]c[nH]1)[C@@H]1CCNC(=O)C1 ZINC001471334193 892353089 /nfs/dbraw/zinc/35/30/89/892353089.db2.gz RGMOFQNGTIWMKP-SCZZXKLOSA-N 1 2 266.301 -1.045 20 0 CAADLO O=C(N[C@H](CO)Cc1c[nH]c[nH+]1)[C@H]1CCCNC1=O ZINC001471342340 892354725 /nfs/dbraw/zinc/35/47/25/892354725.db2.gz QIBYXEQELBMWLA-UWVGGRQHSA-N 1 2 266.301 -1.045 20 0 CAADLO O=C(N[C@H](CO)Cc1c[nH+]c[nH]1)[C@H]1CCCNC1=O ZINC001471342340 892354742 /nfs/dbraw/zinc/35/47/42/892354742.db2.gz QIBYXEQELBMWLA-UWVGGRQHSA-N 1 2 266.301 -1.045 20 0 CAADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H]1CC(=O)N(C)C1 ZINC001471647093 892362499 /nfs/dbraw/zinc/36/24/99/892362499.db2.gz YTHKUYLGBLPBNQ-SCZZXKLOSA-N 1 2 293.327 -1.339 20 0 CAADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H]1CC(=O)N(C)C1 ZINC001471647093 892362517 /nfs/dbraw/zinc/36/25/17/892362517.db2.gz YTHKUYLGBLPBNQ-SCZZXKLOSA-N 1 2 293.327 -1.339 20 0 CAADLO C=CC(=O)N(C)CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC ZINC001471647412 892363012 /nfs/dbraw/zinc/36/30/12/892363012.db2.gz UCMTYCQJGCRLEO-JTQLQIEISA-N 1 2 293.327 -1.173 20 0 CAADLO C=CC(=O)N(C)CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC ZINC001471647412 892363029 /nfs/dbraw/zinc/36/30/29/892363029.db2.gz UCMTYCQJGCRLEO-JTQLQIEISA-N 1 2 293.327 -1.173 20 0 CAADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H]1CCNC(=O)C1 ZINC001471647223 892363101 /nfs/dbraw/zinc/36/31/01/892363101.db2.gz MGRGVSWJBIEBDV-WPRPVWTQSA-N 1 2 293.327 -1.291 20 0 CAADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H]1CCNC(=O)C1 ZINC001471647223 892363119 /nfs/dbraw/zinc/36/31/19/892363119.db2.gz MGRGVSWJBIEBDV-WPRPVWTQSA-N 1 2 293.327 -1.291 20 0 CAADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H]1CC[C@H]1C(N)=O ZINC001471646957 892363224 /nfs/dbraw/zinc/36/32/24/892363224.db2.gz GKVFCKZVFOQVOD-BBBLOLIVSA-N 1 2 293.327 -1.306 20 0 CAADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H]1CC[C@H]1C(N)=O ZINC001471646957 892363243 /nfs/dbraw/zinc/36/32/43/892363243.db2.gz GKVFCKZVFOQVOD-BBBLOLIVSA-N 1 2 293.327 -1.306 20 0 CAADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H]1CC(=O)N(C)C1 ZINC001471647094 892364072 /nfs/dbraw/zinc/36/40/72/892364072.db2.gz YTHKUYLGBLPBNQ-WPRPVWTQSA-N 1 2 293.327 -1.339 20 0 CAADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H]1CC(=O)N(C)C1 ZINC001471647094 892364090 /nfs/dbraw/zinc/36/40/90/892364090.db2.gz YTHKUYLGBLPBNQ-WPRPVWTQSA-N 1 2 293.327 -1.339 20 0 CAADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H]1CC[C@@H]1C(N)=O ZINC001471646956 892365497 /nfs/dbraw/zinc/36/54/97/892365497.db2.gz GKVFCKZVFOQVOD-AEJSXWLSSA-N 1 2 293.327 -1.306 20 0 CAADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H]1CC[C@@H]1C(N)=O ZINC001471646956 892365513 /nfs/dbraw/zinc/36/55/13/892365513.db2.gz GKVFCKZVFOQVOD-AEJSXWLSSA-N 1 2 293.327 -1.306 20 0 CAADLO C[NH+](C)Cc1nc(CNC(=O)CN2C(=O)CNC2=O)co1 ZINC001472100233 892382637 /nfs/dbraw/zinc/38/26/37/892382637.db2.gz WKWRONKBKVKKGF-UHFFFAOYSA-N 1 2 295.299 -1.096 20 0 CAADLO O=C([C@@H]1CCCS1(=O)=O)N1CC([NH2+]C2COC2)C1 ZINC001472156987 892387830 /nfs/dbraw/zinc/38/78/30/892387830.db2.gz GYQOWLCNCONXTJ-JTQLQIEISA-N 1 2 274.342 -1.237 20 0 CAADLO O=C([C@H]1CCn2c[nH+]cc2C1)N1CC2(C1)NC(=O)NC2=O ZINC001472358340 892396090 /nfs/dbraw/zinc/39/60/90/892396090.db2.gz RNKNLRAFMZMSPO-QMMMGPOBSA-N 1 2 289.295 -1.134 20 0 CAADLO Cn1c[nH+]cc1CCC(=O)NN1CC(=O)NC1=O ZINC001472486303 892400731 /nfs/dbraw/zinc/40/07/31/892400731.db2.gz LUCCEJXPWJPEEN-UHFFFAOYSA-N 1 2 251.246 -1.064 20 0 CAADLO Cn1cc(C(=O)N2CC[NH+](CCCO)CC2)nn1 ZINC001472956957 892407158 /nfs/dbraw/zinc/40/71/58/892407158.db2.gz ZFKRCMMJAIJFEO-UHFFFAOYSA-N 1 2 253.306 -1.045 20 0 CAADLO NC(=O)c1cc(N2CC3(C2)CC(=O)NCC[NH2+]3)ncn1 ZINC001472845534 892408412 /nfs/dbraw/zinc/40/84/12/892408412.db2.gz PYFUZCCFTOEEBN-UHFFFAOYSA-N 1 2 276.300 -1.756 20 0 CAADLO Cc1nc(C)n(CC[NH+]2CCN(C(=O)CC(N)=O)CC2)n1 ZINC001472943975 892409077 /nfs/dbraw/zinc/40/90/77/892409077.db2.gz WDGQVONSCRIHTD-UHFFFAOYSA-N 1 2 294.359 -1.085 20 0 CAADLO C[S@@](=O)CC[NH+]1CCN(C[C@@H](O)CO)CC1 ZINC001473227682 892413918 /nfs/dbraw/zinc/41/39/18/892413918.db2.gz LCFZLCQVSCQEPA-QLJPJBMISA-N 1 2 250.364 -1.664 20 0 CAADLO C[S@](=O)CC[NH+]1CCN(C[C@@H](O)CO)CC1 ZINC001473227681 892415369 /nfs/dbraw/zinc/41/53/69/892415369.db2.gz LCFZLCQVSCQEPA-HWPZZCPQSA-N 1 2 250.364 -1.664 20 0 CAADLO C[C@H](O)[C@H](O)CN1CC[NH+](CC[S@](C)=O)CC1 ZINC001473226407 892415513 /nfs/dbraw/zinc/41/55/13/892415513.db2.gz TXDZWAABYFZAJF-RVPKQNPDSA-N 1 2 264.391 -1.276 20 0 CAADLO CNS(=O)(=O)CC[N@H+](CC(N)=O)C1CCOCC1 ZINC001473757824 892428073 /nfs/dbraw/zinc/42/80/73/892428073.db2.gz CXTBTUZYRIUURS-UHFFFAOYSA-N 1 2 279.362 -1.498 20 0 CAADLO CNS(=O)(=O)CC[N@@H+](CC(N)=O)C1CCOCC1 ZINC001473757824 892428076 /nfs/dbraw/zinc/42/80/76/892428076.db2.gz CXTBTUZYRIUURS-UHFFFAOYSA-N 1 2 279.362 -1.498 20 0 CAADLO C[C@H](c1nnnn1C)[N@@H+]1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC001473491182 892418359 /nfs/dbraw/zinc/41/83/59/892418359.db2.gz SLLFQCWRVZWPTF-QYNIQEEDSA-N 1 2 250.262 -1.525 20 0 CAADLO C[C@H](c1nnnn1C)[N@H+]1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC001473491182 892418370 /nfs/dbraw/zinc/41/83/70/892418370.db2.gz SLLFQCWRVZWPTF-QYNIQEEDSA-N 1 2 250.262 -1.525 20 0 CAADLO CO[C@@H]1C[N@H+](CC(=O)NCC(=O)N2CCCC2)C[C@H]1O ZINC001473474365 892418601 /nfs/dbraw/zinc/41/86/01/892418601.db2.gz HJIIMDNAIGVQTR-GHMZBOCLSA-N 1 2 285.344 -1.584 20 0 CAADLO CO[C@@H]1C[N@@H+](CC(=O)NCC(=O)N2CCCC2)C[C@H]1O ZINC001473474365 892418607 /nfs/dbraw/zinc/41/86/07/892418607.db2.gz HJIIMDNAIGVQTR-GHMZBOCLSA-N 1 2 285.344 -1.584 20 0 CAADLO C[C@H](NC(=O)C[N@@H+]1CC[C@H](O)[C@H](CO)C1)C(=O)N(C)C ZINC001473555726 892418675 /nfs/dbraw/zinc/41/86/75/892418675.db2.gz GVPMCCHOKOTGEI-DCAQKATOSA-N 1 2 287.360 -1.746 20 0 CAADLO C[C@H](NC(=O)C[N@H+]1CC[C@H](O)[C@H](CO)C1)C(=O)N(C)C ZINC001473555726 892418680 /nfs/dbraw/zinc/41/86/80/892418680.db2.gz GVPMCCHOKOTGEI-DCAQKATOSA-N 1 2 287.360 -1.746 20 0 CAADLO C[C@H](NC(=O)C[N@@H+]1CC[C@@H](O)[C@@H](CO)C1)C(=O)N(C)C ZINC001473555729 892418894 /nfs/dbraw/zinc/41/88/94/892418894.db2.gz GVPMCCHOKOTGEI-HBNTYKKESA-N 1 2 287.360 -1.746 20 0 CAADLO C[C@H](NC(=O)C[N@H+]1CC[C@@H](O)[C@@H](CO)C1)C(=O)N(C)C ZINC001473555729 892418901 /nfs/dbraw/zinc/41/89/01/892418901.db2.gz GVPMCCHOKOTGEI-HBNTYKKESA-N 1 2 287.360 -1.746 20 0 CAADLO CNS(=O)(=O)N1CC[NH+](C[C@@](C)(O)C(=O)OC)CC1 ZINC001473516203 892419465 /nfs/dbraw/zinc/41/94/65/892419465.db2.gz IFVMJYJWSBTZSL-SNVBAGLBSA-N 1 2 295.361 -2.008 20 0 CAADLO O=c1cc(C[N@@H+]2C[C@@H](O)[C@H](CO)C2)nc2cc[nH]n21 ZINC001473538285 892419599 /nfs/dbraw/zinc/41/95/99/892419599.db2.gz LGDBCFXVSNRIPX-WCBMZHEXSA-N 1 2 264.285 -1.192 20 0 CAADLO O=c1cc(C[N@H+]2C[C@@H](O)[C@H](CO)C2)nc2cc[nH]n21 ZINC001473538285 892419611 /nfs/dbraw/zinc/41/96/11/892419611.db2.gz LGDBCFXVSNRIPX-WCBMZHEXSA-N 1 2 264.285 -1.192 20 0 CAADLO O=c1cc(C[N@@H+]2C[C@H](O)[C@H](CO)C2)nc2cc[nH]n21 ZINC001473538286 892419690 /nfs/dbraw/zinc/41/96/90/892419690.db2.gz LGDBCFXVSNRIPX-WPRPVWTQSA-N 1 2 264.285 -1.192 20 0 CAADLO O=c1cc(C[N@H+]2C[C@H](O)[C@H](CO)C2)nc2cc[nH]n21 ZINC001473538286 892419694 /nfs/dbraw/zinc/41/96/94/892419694.db2.gz LGDBCFXVSNRIPX-WPRPVWTQSA-N 1 2 264.285 -1.192 20 0 CAADLO C[C@@H](c1nnnn1C)[N@@H+]1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC001473491169 892419705 /nfs/dbraw/zinc/41/97/05/892419705.db2.gz SLLFQCWRVZWPTF-LYFYHCNISA-N 1 2 250.262 -1.525 20 0 CAADLO C[C@@H](c1nnnn1C)[N@H+]1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC001473491169 892419711 /nfs/dbraw/zinc/41/97/11/892419711.db2.gz SLLFQCWRVZWPTF-LYFYHCNISA-N 1 2 250.262 -1.525 20 0 CAADLO C[C@H](NC(=O)C[N@@H+]1C[C@H](O)[C@@H](CO)C1)C(=O)N(C)C ZINC001473538064 892419919 /nfs/dbraw/zinc/41/99/19/892419919.db2.gz DHZAKHVAATVBBQ-AEJSXWLSSA-N 1 2 273.333 -2.136 20 0 CAADLO C[C@H](NC(=O)C[N@H+]1C[C@H](O)[C@@H](CO)C1)C(=O)N(C)C ZINC001473538064 892419925 /nfs/dbraw/zinc/41/99/25/892419925.db2.gz DHZAKHVAATVBBQ-AEJSXWLSSA-N 1 2 273.333 -2.136 20 0 CAADLO NC(=O)[C@H]1C[NH+](CC(=O)Nc2nccs2)C[C@@H]1C(N)=O ZINC001473642072 892422117 /nfs/dbraw/zinc/42/21/17/892422117.db2.gz DBXOCYODWLRDOO-BQBZGAKWSA-N 1 2 297.340 -1.400 20 0 CAADLO NS(=O)(=O)NC1CC[NH+]([C@@H]2CCNC2=O)CC1 ZINC001473705227 892424331 /nfs/dbraw/zinc/42/43/31/892424331.db2.gz WKFHOECIXGIRAK-MRVPVSSYSA-N 1 2 262.335 -1.868 20 0 CAADLO CNC(=O)N[C@@H]1CCC[N@H+](CC(=O)NC(N)=O)C1 ZINC001473794850 892428085 /nfs/dbraw/zinc/42/80/85/892428085.db2.gz UWSYHGGCHLVMAL-SSDOTTSWSA-N 1 2 257.294 -1.425 20 0 CAADLO CNC(=O)Cc1noc(C[N@@H+]2C[C@H](CO)[C@H](CO)C2)n1 ZINC001473736213 892427551 /nfs/dbraw/zinc/42/75/51/892427551.db2.gz AEGIBQYVUBCMPW-DTORHVGOSA-N 1 2 284.316 -1.609 20 0 CAADLO CNC(=O)Cc1noc(C[N@H+]2C[C@H](CO)[C@H](CO)C2)n1 ZINC001473736213 892427557 /nfs/dbraw/zinc/42/75/57/892427557.db2.gz AEGIBQYVUBCMPW-DTORHVGOSA-N 1 2 284.316 -1.609 20 0 CAADLO CC(=O)N1CCC(NC(=O)C[N@@H+](C)[C@@H]2COC[C@H]2O)CC1 ZINC001473805423 892427603 /nfs/dbraw/zinc/42/76/03/892427603.db2.gz IFCSEVAMLLERLO-CHWSQXEVSA-N 1 2 299.371 -1.195 20 0 CAADLO CC(=O)N1CCC(NC(=O)C[N@H+](C)[C@@H]2COC[C@H]2O)CC1 ZINC001473805423 892427608 /nfs/dbraw/zinc/42/76/08/892427608.db2.gz IFCSEVAMLLERLO-CHWSQXEVSA-N 1 2 299.371 -1.195 20 0 CAADLO CNC(=O)N[C@@H]1CCC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001473794850 892428104 /nfs/dbraw/zinc/42/81/04/892428104.db2.gz UWSYHGGCHLVMAL-SSDOTTSWSA-N 1 2 257.294 -1.425 20 0 CAADLO Cn1ncc(C[NH2+]C[C@]2(O)CCS(=O)(=O)C2)n1 ZINC001474149641 892430502 /nfs/dbraw/zinc/43/05/02/892430502.db2.gz QKPNOUWBCCNUDE-SECBINFHSA-N 1 2 260.319 -1.546 20 0 CAADLO C[C@H]([NH2+]CCN1CCCS1(=O)=O)c1nnnn1C ZINC001473861052 892432132 /nfs/dbraw/zinc/43/21/32/892432132.db2.gz NBFNHJHYJMHPSJ-QMMMGPOBSA-N 1 2 274.350 -1.104 20 0 CAADLO C[C@@H]1C[N@H+](Cc2cn(CC(N)=O)nn2)CC[C@@H]1O ZINC001474464796 892434019 /nfs/dbraw/zinc/43/40/19/892434019.db2.gz VEJIJIUUDBNXML-SCZZXKLOSA-N 1 2 253.306 -1.034 20 0 CAADLO C[C@@H]1C[N@@H+](Cc2cn(CC(N)=O)nn2)CC[C@@H]1O ZINC001474464796 892434027 /nfs/dbraw/zinc/43/40/27/892434027.db2.gz VEJIJIUUDBNXML-SCZZXKLOSA-N 1 2 253.306 -1.034 20 0 CAADLO COC(=O)Cn1cc(C[N@H+](CCO)CCCO)nn1 ZINC001474381329 892434780 /nfs/dbraw/zinc/43/47/80/892434780.db2.gz VFGMKTGEFIZCEL-UHFFFAOYSA-N 1 2 272.305 -1.372 20 0 CAADLO COC(=O)Cn1cc(C[N@@H+](CCO)CCCO)nn1 ZINC001474381329 892434783 /nfs/dbraw/zinc/43/47/83/892434783.db2.gz VFGMKTGEFIZCEL-UHFFFAOYSA-N 1 2 272.305 -1.372 20 0 CAADLO COC(=O)Cn1cc(C[N@@H+]2CCC(CO)(CO)C2)nn1 ZINC001474648755 892434822 /nfs/dbraw/zinc/43/48/22/892434822.db2.gz NHNGOWDROQPZPL-UHFFFAOYSA-N 1 2 284.316 -1.372 20 0 CAADLO COC(=O)Cn1cc(C[N@H+]2CCC(CO)(CO)C2)nn1 ZINC001474648755 892434829 /nfs/dbraw/zinc/43/48/29/892434829.db2.gz NHNGOWDROQPZPL-UHFFFAOYSA-N 1 2 284.316 -1.372 20 0 CAADLO C[C@H]1CN(S(=O)(=O)N2CC[NH+](C)CC2)C[C@@H]1O ZINC001475112447 892437995 /nfs/dbraw/zinc/43/79/95/892437995.db2.gz WTFFQXCMGQPUBU-UWVGGRQHSA-N 1 2 263.363 -1.209 20 0 CAADLO C[C@@H]1CCNC(=O)[C@@H]1NS(=O)(=O)N1CC[NH+](C)CC1 ZINC001475234755 892438393 /nfs/dbraw/zinc/43/83/93/892438393.db2.gz KQLNWJMGGKAJRE-NXEZZACHSA-N 1 2 290.389 -1.407 20 0 CAADLO CCN([C@@H]1CCNC1=O)S(=O)(=O)N1CC[NH+](C)CC1 ZINC001475237576 892439595 /nfs/dbraw/zinc/43/95/95/892439595.db2.gz TYVTXQMIWSIPGL-SNVBAGLBSA-N 1 2 290.389 -1.311 20 0 CAADLO COC(=O)[C@@H](C)N(C)S(=O)(=O)N1CC[NH+](C)CC1 ZINC001475258405 892439774 /nfs/dbraw/zinc/43/97/74/892439774.db2.gz SUXQSBCCIWHTPV-SECBINFHSA-N 1 2 279.362 -1.028 20 0 CAADLO C[C@H]1CCNC(=O)[C@@H]1NS(=O)(=O)N1CC[NH+](C)CC1 ZINC001475234757 892439857 /nfs/dbraw/zinc/43/98/57/892439857.db2.gz KQLNWJMGGKAJRE-VHSXEESVSA-N 1 2 290.389 -1.407 20 0 CAADLO C[C@H](O)[C@@H]1CN(S(=O)(=O)N2CC[NH+](C)CC2)CCO1 ZINC001475382509 892441366 /nfs/dbraw/zinc/44/13/66/892441366.db2.gz DIWWHUHWFDSQAU-QWRGUYRKSA-N 1 2 293.389 -1.440 20 0 CAADLO CCn1ncc(CNS(=O)(=O)N2CC[NH+](C)CC2)n1 ZINC001475524657 892445831 /nfs/dbraw/zinc/44/58/31/892445831.db2.gz AOHYCLYJGMSDLC-UHFFFAOYSA-N 1 2 288.377 -1.120 20 0 CAADLO CNS(=O)(=O)CCNC(=O)NCCc1cn(C)c[nH+]1 ZINC001478457385 892460967 /nfs/dbraw/zinc/46/09/67/892460967.db2.gz LAYSZMJBOURABL-UHFFFAOYSA-N 1 2 289.361 -1.189 20 0 CAADLO CNS(=O)(=O)NCC(=O)N(C)C[C@@H]1CC[N@@H+]1CCF ZINC001479235120 892469523 /nfs/dbraw/zinc/46/95/23/892469523.db2.gz PXNRIAFTLAANPM-VIFPVBQESA-N 1 2 296.368 -1.458 20 0 CAADLO CNS(=O)(=O)NCC(=O)N(C)C[C@@H]1CC[N@H+]1CCF ZINC001479235120 892469537 /nfs/dbraw/zinc/46/95/37/892469537.db2.gz PXNRIAFTLAANPM-VIFPVBQESA-N 1 2 296.368 -1.458 20 0 CAADLO CN(C)C(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)Cc1nnc[nH]1 ZINC001479256678 892471662 /nfs/dbraw/zinc/47/16/62/892471662.db2.gz OGRLJYUIWXISFE-SNVBAGLBSA-N 1 2 294.359 -1.032 20 0 CAADLO CN(C)C(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)Cc1nnc[nH]1 ZINC001479256678 892471667 /nfs/dbraw/zinc/47/16/67/892471667.db2.gz OGRLJYUIWXISFE-SNVBAGLBSA-N 1 2 294.359 -1.032 20 0 CAADLO CC[C@@H]1[C@@H](NC(=O)CS(C)(=O)=O)CC[N@@H+]1CCO ZINC001479630875 892477201 /nfs/dbraw/zinc/47/72/01/892477201.db2.gz XCVLZSMTNAQYAB-VHSXEESVSA-N 1 2 278.374 -1.008 20 0 CAADLO CC[C@@H]1[C@@H](NC(=O)CS(C)(=O)=O)CC[N@H+]1CCO ZINC001479630875 892477210 /nfs/dbraw/zinc/47/72/10/892477210.db2.gz XCVLZSMTNAQYAB-VHSXEESVSA-N 1 2 278.374 -1.008 20 0 CAADLO CC(=O)N[C@H](C)C(=O)N[C@H]1CC[N@H+](CC(N)=O)[C@@H]1C ZINC001479697150 892477774 /nfs/dbraw/zinc/47/77/74/892477774.db2.gz MWBZKZXXMWMTBW-MRTMQBJTSA-N 1 2 270.333 -1.425 20 0 CAADLO CC(=O)N[C@H](C)C(=O)N[C@H]1CC[N@@H+](CC(N)=O)[C@@H]1C ZINC001479697150 892477785 /nfs/dbraw/zinc/47/77/85/892477785.db2.gz MWBZKZXXMWMTBW-MRTMQBJTSA-N 1 2 270.333 -1.425 20 0 CAADLO CC(=O)NC(C)(C)C(=O)N[C@H]1CC[N@H+](CC(N)=O)[C@@H]1C ZINC001479722430 892477920 /nfs/dbraw/zinc/47/79/20/892477920.db2.gz TVGGNJQSDFLCEL-SCZZXKLOSA-N 1 2 284.360 -1.035 20 0 CAADLO CC(=O)NC(C)(C)C(=O)N[C@H]1CC[N@@H+](CC(N)=O)[C@@H]1C ZINC001479722430 892477929 /nfs/dbraw/zinc/47/79/29/892477929.db2.gz TVGGNJQSDFLCEL-SCZZXKLOSA-N 1 2 284.360 -1.035 20 0 CAADLO C[C@@H]1[C@@H](NC(=O)c2ccn[nH]2)CC[N@@H+]1CC(=O)NC(N)=O ZINC001479698229 892479572 /nfs/dbraw/zinc/47/95/72/892479572.db2.gz SCNOMVPWAWAMRQ-SFYZADRCSA-N 1 2 294.315 -1.203 20 0 CAADLO C[C@@H]1[C@@H](NC(=O)c2ccn[nH]2)CC[N@H+]1CC(=O)NC(N)=O ZINC001479698229 892479575 /nfs/dbraw/zinc/47/95/75/892479575.db2.gz SCNOMVPWAWAMRQ-SFYZADRCSA-N 1 2 294.315 -1.203 20 0 CAADLO CC(=O)N[C@@H](C)C(=O)N[C@H]1CC[N@H+](CC(N)=O)[C@@H]1C ZINC001479697151 892479749 /nfs/dbraw/zinc/47/97/49/892479749.db2.gz MWBZKZXXMWMTBW-XKSSXDPKSA-N 1 2 270.333 -1.425 20 0 CAADLO CC(=O)N[C@@H](C)C(=O)N[C@H]1CC[N@@H+](CC(N)=O)[C@@H]1C ZINC001479697151 892479754 /nfs/dbraw/zinc/47/97/54/892479754.db2.gz MWBZKZXXMWMTBW-XKSSXDPKSA-N 1 2 270.333 -1.425 20 0 CAADLO C[C@H](NC(N)=O)C(=O)NCCC[N@H+](C)Cc1nncn1C ZINC001479768919 892482043 /nfs/dbraw/zinc/48/20/43/892482043.db2.gz ZQKONASGZHOBQX-VIFPVBQESA-N 1 2 297.363 -1.190 20 0 CAADLO C[C@H](NC(N)=O)C(=O)NCCC[N@@H+](C)Cc1nncn1C ZINC001479768919 892482053 /nfs/dbraw/zinc/48/20/53/892482053.db2.gz ZQKONASGZHOBQX-VIFPVBQESA-N 1 2 297.363 -1.190 20 0 CAADLO Cn1cnnc1C[N@H+](C)CCCNC(=O)C(N)=O ZINC001479793695 892482473 /nfs/dbraw/zinc/48/24/73/892482473.db2.gz NDEUCMJRCOEZOS-UHFFFAOYSA-N 1 2 254.294 -1.762 20 0 CAADLO Cn1cnnc1C[N@@H+](C)CCCNC(=O)C(N)=O ZINC001479793695 892482480 /nfs/dbraw/zinc/48/24/80/892482480.db2.gz NDEUCMJRCOEZOS-UHFFFAOYSA-N 1 2 254.294 -1.762 20 0 CAADLO CNC(=O)C[N@H+](C)CCCNC(=O)CCc1cnn[nH]1 ZINC001479797519 892483026 /nfs/dbraw/zinc/48/30/26/892483026.db2.gz FWQZMUSOPNRARB-UHFFFAOYSA-N 1 2 282.348 -1.079 20 0 CAADLO CNC(=O)C[N@@H+](C)CCCNC(=O)CCc1cnn[nH]1 ZINC001479797519 892483033 /nfs/dbraw/zinc/48/30/33/892483033.db2.gz FWQZMUSOPNRARB-UHFFFAOYSA-N 1 2 282.348 -1.079 20 0 CAADLO Cn1cc(C[N@H+](C)CCCNC(=O)CCNC(N)=O)nn1 ZINC001479813627 892485131 /nfs/dbraw/zinc/48/51/31/892485131.db2.gz QKCRIHGIDKNBEY-UHFFFAOYSA-N 1 2 297.363 -1.188 20 0 CAADLO Cn1cc(C[N@@H+](C)CCCNC(=O)CCNC(N)=O)nn1 ZINC001479813627 892485145 /nfs/dbraw/zinc/48/51/45/892485145.db2.gz QKCRIHGIDKNBEY-UHFFFAOYSA-N 1 2 297.363 -1.188 20 0 CAADLO CNC(=O)[C@H](C)[NH+]1CCN(CCNC(=O)COC)CC1 ZINC001479922379 892485256 /nfs/dbraw/zinc/48/52/56/892485256.db2.gz AHGPGKOZCNMPHL-NSHDSACASA-N 1 2 286.376 -1.499 20 0 CAADLO NC(=O)CC(=O)NCCN1CC[NH+]([C@H]2CCNC2=O)CC1 ZINC001479928259 892486670 /nfs/dbraw/zinc/48/66/70/892486670.db2.gz JVVRSXFPSLWGDT-JTQLQIEISA-N 1 2 297.359 -2.516 20 0 CAADLO NC(=O)CC(=O)NCCN1CC[NH+]([C@@H]2CCNC2=O)CC1 ZINC001479928260 892486895 /nfs/dbraw/zinc/48/68/95/892486895.db2.gz JVVRSXFPSLWGDT-SNVBAGLBSA-N 1 2 297.359 -2.516 20 0 CAADLO CO[C@@H](C)C(=O)NCCN1CC[NH+]([C@H](C)C(N)=O)CC1 ZINC001479926512 892487317 /nfs/dbraw/zinc/48/73/17/892487317.db2.gz DPCDGROXZQSIIJ-MNOVXSKESA-N 1 2 286.376 -1.371 20 0 CAADLO CO[C@H](C)C(=O)NCCN1CC[NH+]([C@@H](C)C(N)=O)CC1 ZINC001479926514 892487915 /nfs/dbraw/zinc/48/79/15/892487915.db2.gz DPCDGROXZQSIIJ-WDEREUQCSA-N 1 2 286.376 -1.371 20 0 CAADLO CO[C@H](C)C(=O)NCCN1CC[NH+]([C@H](C)C(N)=O)CC1 ZINC001479926511 892487943 /nfs/dbraw/zinc/48/79/43/892487943.db2.gz DPCDGROXZQSIIJ-GHMZBOCLSA-N 1 2 286.376 -1.371 20 0 CAADLO NC(=O)CC(=O)NCC[NH+]1CCN(Cc2cnon2)CC1 ZINC001479929330 892490229 /nfs/dbraw/zinc/49/02/29/892490229.db2.gz ZSMATNJEYFXOHV-UHFFFAOYSA-N 1 2 296.331 -1.821 20 0 CAADLO CS(=O)(=O)CCC(=O)N[C@H]1CC[N@H+](CCO)C1 ZINC001479956817 892490314 /nfs/dbraw/zinc/49/03/14/892490314.db2.gz YPJNGAHSVVEMSO-VIFPVBQESA-N 1 2 264.347 -1.396 20 0 CAADLO CS(=O)(=O)CCC(=O)N[C@H]1CC[N@@H+](CCO)C1 ZINC001479956817 892490319 /nfs/dbraw/zinc/49/03/19/892490319.db2.gz YPJNGAHSVVEMSO-VIFPVBQESA-N 1 2 264.347 -1.396 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)CCn2ccccc2=O)C1 ZINC001479955109 892490760 /nfs/dbraw/zinc/49/07/60/892490760.db2.gz GWUPPFWHFXDPBH-NSHDSACASA-N 1 2 292.339 -1.086 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)CCn2ccccc2=O)C1 ZINC001479955109 892490767 /nfs/dbraw/zinc/49/07/67/892490767.db2.gz GWUPPFWHFXDPBH-NSHDSACASA-N 1 2 292.339 -1.086 20 0 CAADLO Cn1ccnc1COCC(=O)N[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001479956071 892491502 /nfs/dbraw/zinc/49/15/02/892491502.db2.gz PEPPBMGQECRAKJ-SNVBAGLBSA-N 1 2 295.343 -1.388 20 0 CAADLO Cn1ccnc1COCC(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001479956071 892491508 /nfs/dbraw/zinc/49/15/08/892491508.db2.gz PEPPBMGQECRAKJ-SNVBAGLBSA-N 1 2 295.343 -1.388 20 0 CAADLO NC(=O)C(=O)NCCN1CC[NH+](CC(=O)N2CCC2)CC1 ZINC001479936967 892491817 /nfs/dbraw/zinc/49/18/17/892491817.db2.gz WVWGHAMBXLWBCV-UHFFFAOYSA-N 1 2 297.359 -2.562 20 0 CAADLO CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cc2nc[nH]n2)C1 ZINC001479969298 892493562 /nfs/dbraw/zinc/49/35/62/892493562.db2.gz XANYJFRSNWIPRI-SECBINFHSA-N 1 2 280.332 -1.326 20 0 CAADLO CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)Cc2nc[nH]n2)C1 ZINC001479969298 892493568 /nfs/dbraw/zinc/49/35/68/892493568.db2.gz XANYJFRSNWIPRI-SECBINFHSA-N 1 2 280.332 -1.326 20 0 CAADLO CNC(=O)CCCCC(=O)N[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001479971955 892493660 /nfs/dbraw/zinc/49/36/60/892493660.db2.gz JFJHXYZGBSQHDT-JTQLQIEISA-N 1 2 284.360 -1.031 20 0 CAADLO CNC(=O)CCCCC(=O)N[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001479971955 892493664 /nfs/dbraw/zinc/49/36/64/892493664.db2.gz JFJHXYZGBSQHDT-JTQLQIEISA-N 1 2 284.360 -1.031 20 0 CAADLO CN(CC[N@@H+]1CC[C@@H](NC(=O)C(N)=O)C1)S(C)(=O)=O ZINC001479962215 892494307 /nfs/dbraw/zinc/49/43/07/892494307.db2.gz QXUXHUJYVBWGCH-MRVPVSSYSA-N 1 2 292.361 -2.446 20 0 CAADLO CN(CC[N@H+]1CC[C@@H](NC(=O)C(N)=O)C1)S(C)(=O)=O ZINC001479962215 892494321 /nfs/dbraw/zinc/49/43/21/892494321.db2.gz QXUXHUJYVBWGCH-MRVPVSSYSA-N 1 2 292.361 -2.446 20 0 CAADLO CCN(C(=O)C[N@@H+]1CC[C@H](NC(=O)C(N)=O)C1)C1CC1 ZINC001479962063 892494469 /nfs/dbraw/zinc/49/44/69/892494469.db2.gz PJAXBFDJPHSPES-VIFPVBQESA-N 1 2 282.344 -1.327 20 0 CAADLO CCN(C(=O)C[N@H+]1CC[C@H](NC(=O)C(N)=O)C1)C1CC1 ZINC001479962063 892494479 /nfs/dbraw/zinc/49/44/79/892494479.db2.gz PJAXBFDJPHSPES-VIFPVBQESA-N 1 2 282.344 -1.327 20 0 CAADLO COCCCOCC(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001479967978 892495493 /nfs/dbraw/zinc/49/54/93/892495493.db2.gz SUQZCEDVMRPJFH-SNVBAGLBSA-N 1 2 273.333 -1.285 20 0 CAADLO COCCCOCC(=O)N[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001479967977 892495296 /nfs/dbraw/zinc/49/52/96/892495296.db2.gz SUQZCEDVMRPJFH-JTQLQIEISA-N 1 2 273.333 -1.285 20 0 CAADLO COCCCOCC(=O)N[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001479967977 892495302 /nfs/dbraw/zinc/49/53/02/892495302.db2.gz SUQZCEDVMRPJFH-JTQLQIEISA-N 1 2 273.333 -1.285 20 0 CAADLO COCCCOCC(=O)N[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001479967978 892495490 /nfs/dbraw/zinc/49/54/90/892495490.db2.gz SUQZCEDVMRPJFH-SNVBAGLBSA-N 1 2 273.333 -1.285 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+]1CC[C@@H](NC(=O)C(=O)NCC2CC2)C1 ZINC001479966102 892495693 /nfs/dbraw/zinc/49/56/93/892495693.db2.gz AAXNDXMBIXFVPQ-GXSJLCMTSA-N 1 2 296.371 -1.162 20 0 CAADLO CNC(=O)[C@H](C)[N@H+]1CC[C@@H](NC(=O)C(=O)NCC2CC2)C1 ZINC001479966102 892495700 /nfs/dbraw/zinc/49/57/00/892495700.db2.gz AAXNDXMBIXFVPQ-GXSJLCMTSA-N 1 2 296.371 -1.162 20 0 CAADLO Cn1nnc(C[NH2+][C@H]2C[C@H](NC(=O)C(C)(C)C(N)=O)C2)n1 ZINC001480143609 892501547 /nfs/dbraw/zinc/50/15/47/892501547.db2.gz FMXFPLFXQOJEBM-ZKCHVHJHSA-N 1 2 295.347 -1.542 20 0 CAADLO Cn1cnnc1C[N@@H+]1CCC[C@@H](CNC(=O)C(N)=O)C1 ZINC001480260741 892507368 /nfs/dbraw/zinc/50/73/68/892507368.db2.gz CGYQAYLDBNZLOM-VIFPVBQESA-N 1 2 280.332 -1.371 20 0 CAADLO Cn1cnnc1C[N@H+]1CCC[C@@H](CNC(=O)C(N)=O)C1 ZINC001480260741 892507376 /nfs/dbraw/zinc/50/73/76/892507376.db2.gz CGYQAYLDBNZLOM-VIFPVBQESA-N 1 2 280.332 -1.371 20 0 CAADLO Cn1cnnc1C[N@@H+]1CCC[C@H](CNC(=O)C(N)=O)C1 ZINC001480260740 892507427 /nfs/dbraw/zinc/50/74/27/892507427.db2.gz CGYQAYLDBNZLOM-SECBINFHSA-N 1 2 280.332 -1.371 20 0 CAADLO Cn1cnnc1C[N@H+]1CCC[C@H](CNC(=O)C(N)=O)C1 ZINC001480260740 892507439 /nfs/dbraw/zinc/50/74/39/892507439.db2.gz CGYQAYLDBNZLOM-SECBINFHSA-N 1 2 280.332 -1.371 20 0 CAADLO NC(=O)C[N@@H+]1CCCC[C@@H]1CNC(=O)Cn1cncn1 ZINC001480332530 892510485 /nfs/dbraw/zinc/51/04/85/892510485.db2.gz ZAHOKQGSNHJRJU-SNVBAGLBSA-N 1 2 280.332 -1.266 20 0 CAADLO NC(=O)C[N@H+]1CCCC[C@@H]1CNC(=O)Cn1cncn1 ZINC001480332530 892510498 /nfs/dbraw/zinc/51/04/98/892510498.db2.gz ZAHOKQGSNHJRJU-SNVBAGLBSA-N 1 2 280.332 -1.266 20 0 CAADLO NC(=O)C[N@@H+]1CCCC[C@@H]1CNC(=O)C1(C(N)=O)CC1 ZINC001480324312 892511172 /nfs/dbraw/zinc/51/11/72/892511172.db2.gz OBKUHXWITXMWLQ-SECBINFHSA-N 1 2 282.344 -1.292 20 0 CAADLO NC(=O)C[N@H+]1CCCC[C@@H]1CNC(=O)C1(C(N)=O)CC1 ZINC001480324312 892511182 /nfs/dbraw/zinc/51/11/82/892511182.db2.gz OBKUHXWITXMWLQ-SECBINFHSA-N 1 2 282.344 -1.292 20 0 CAADLO NC(=O)C[N@@H+]1CCCC[C@H]1CNC(=O)Cn1cncn1 ZINC001480332529 892511760 /nfs/dbraw/zinc/51/17/60/892511760.db2.gz ZAHOKQGSNHJRJU-JTQLQIEISA-N 1 2 280.332 -1.266 20 0 CAADLO NC(=O)C[N@H+]1CCCC[C@H]1CNC(=O)Cn1cncn1 ZINC001480332529 892511769 /nfs/dbraw/zinc/51/17/69/892511769.db2.gz ZAHOKQGSNHJRJU-JTQLQIEISA-N 1 2 280.332 -1.266 20 0 CAADLO CCc1noc(C[NH2+][C@H](C)CNC(=O)Cn2cnnn2)n1 ZINC001480421866 892515352 /nfs/dbraw/zinc/51/53/52/892515352.db2.gz OBNYMFFEYVMNFR-MRVPVSSYSA-N 1 2 294.319 -1.087 20 0 CAADLO C[C@@H](CNC(=O)Cn1cccn1)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001480423233 892515896 /nfs/dbraw/zinc/51/58/96/892515896.db2.gz BSTXSQTWBNZLGH-VIFPVBQESA-N 1 2 293.331 -1.401 20 0 CAADLO COCc1noc(C[NH2+][C@@H](C)CNC(=O)CC(N)=O)n1 ZINC001480439363 892517863 /nfs/dbraw/zinc/51/78/63/892517863.db2.gz NWNAWHOAKWRTBD-ZETCQYMHSA-N 1 2 285.304 -1.314 20 0 CAADLO Cc1noc(C[NH2+][C@H](C)CNC(=O)[C@H]2CNC(=O)N2)n1 ZINC001480525394 892524907 /nfs/dbraw/zinc/52/49/07/892524907.db2.gz AHDLABUUDQHKHP-HTRCEHHLSA-N 1 2 282.304 -1.346 20 0 CAADLO Cc1noc(C[NH2+][C@@H](C)CNC(=O)[C@@H]2CNC(=O)N2)n1 ZINC001480525397 892525989 /nfs/dbraw/zinc/52/59/89/892525989.db2.gz AHDLABUUDQHKHP-XPUUQOCRSA-N 1 2 282.304 -1.346 20 0 CAADLO Cc1noc(C[NH2+][C@H](C)CNC(=O)[C@@H]2CNC(=O)N2)n1 ZINC001480525396 892527038 /nfs/dbraw/zinc/52/70/38/892527038.db2.gz AHDLABUUDQHKHP-SVRRBLITSA-N 1 2 282.304 -1.346 20 0 CAADLO C[C@@H](CNC(=O)Cc1c[nH]cn1)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001480541555 892530339 /nfs/dbraw/zinc/53/03/39/892530339.db2.gz BFCFOJLNHJWSAN-QMMMGPOBSA-N 1 2 293.331 -1.332 20 0 CAADLO C[C@@H](CNC(=O)C(N)=O)[NH2+][C@@H](C)c1nnnn1C ZINC001480529913 892530938 /nfs/dbraw/zinc/53/09/38/892530938.db2.gz VZJZHKPWBYJAQC-WDSKDSINSA-N 1 2 255.282 -2.149 20 0 CAADLO Cc1ccnc(C[NH2+][C@H](C)CNC(=O)C(N)=O)n1 ZINC001480526353 892531596 /nfs/dbraw/zinc/53/15/96/892531596.db2.gz DEZLHENIXHGTPZ-MRVPVSSYSA-N 1 2 251.290 -1.135 20 0 CAADLO C[C@@H](CNC(=O)CCNC(N)=O)[NH2+]Cc1cnon1 ZINC001480586572 892533364 /nfs/dbraw/zinc/53/33/64/892533364.db2.gz KLZHGQUKJQICKB-ZETCQYMHSA-N 1 2 270.293 -1.278 20 0 CAADLO C[C@H](CNC(=O)CCNC(N)=O)[NH2+]Cc1cnon1 ZINC001480586570 892534442 /nfs/dbraw/zinc/53/44/42/892534442.db2.gz KLZHGQUKJQICKB-SSDOTTSWSA-N 1 2 270.293 -1.278 20 0 CAADLO CC(=O)NCC(=O)NCC[N@@H+](C)CC(=O)N1CCCC1 ZINC001480837095 892543643 /nfs/dbraw/zinc/54/36/43/892543643.db2.gz MOTXWOUIRHQFFN-UHFFFAOYSA-N 1 2 284.360 -1.207 20 0 CAADLO CC(=O)NCC(=O)NCC[N@H+](C)CC(=O)N1CCCC1 ZINC001480837095 892543652 /nfs/dbraw/zinc/54/36/52/892543652.db2.gz MOTXWOUIRHQFFN-UHFFFAOYSA-N 1 2 284.360 -1.207 20 0 CAADLO CC(=O)N[C@H](C)C(=O)NCC[N@H+](C)CC(=O)NC1CC1 ZINC001480838270 892544901 /nfs/dbraw/zinc/54/49/01/892544901.db2.gz GWYPCFOTQINCAM-SECBINFHSA-N 1 2 284.360 -1.162 20 0 CAADLO CC(=O)N[C@H](C)C(=O)NCC[N@@H+](C)CC(=O)NC1CC1 ZINC001480838270 892544915 /nfs/dbraw/zinc/54/49/15/892544915.db2.gz GWYPCFOTQINCAM-SECBINFHSA-N 1 2 284.360 -1.162 20 0 CAADLO CC(C)CNC(=O)C[N@H+](C)CCNC(=O)CC(N)=O ZINC001480849972 892547994 /nfs/dbraw/zinc/54/79/94/892547994.db2.gz DHASATPHLRXNTQ-UHFFFAOYSA-N 1 2 272.349 -1.318 20 0 CAADLO CC(C)CNC(=O)C[N@@H+](C)CCNC(=O)CC(N)=O ZINC001480849972 892548008 /nfs/dbraw/zinc/54/80/08/892548008.db2.gz DHASATPHLRXNTQ-UHFFFAOYSA-N 1 2 272.349 -1.318 20 0 CAADLO Cn1[nH]c(C[N@H+](C)CCNC(=O)Cn2cccn2)nc1=O ZINC001480842562 892548192 /nfs/dbraw/zinc/54/81/92/892548192.db2.gz NKPCOWYCUMFBGZ-UHFFFAOYSA-N 1 2 293.331 -1.447 20 0 CAADLO Cn1[nH]c(C[N@@H+](C)CCNC(=O)Cn2cccn2)nc1=O ZINC001480842562 892548198 /nfs/dbraw/zinc/54/81/98/892548198.db2.gz NKPCOWYCUMFBGZ-UHFFFAOYSA-N 1 2 293.331 -1.447 20 0 CAADLO CCCNC(=O)C[N@H+](C)CCNC(=O)CC(N)=O ZINC001480850684 892548941 /nfs/dbraw/zinc/54/89/41/892548941.db2.gz YPMYSLWUOQNRPF-UHFFFAOYSA-N 1 2 258.322 -1.564 20 0 CAADLO CCCNC(=O)C[N@@H+](C)CCNC(=O)CC(N)=O ZINC001480850684 892548947 /nfs/dbraw/zinc/54/89/47/892548947.db2.gz YPMYSLWUOQNRPF-UHFFFAOYSA-N 1 2 258.322 -1.564 20 0 CAADLO C[N@H+](CCNC(=O)[C@H]1COCCO1)CC(=O)NC1CC1 ZINC001480844295 892548983 /nfs/dbraw/zinc/54/89/83/892548983.db2.gz JATCWNDGPNUPIW-LLVKDONJSA-N 1 2 285.344 -1.272 20 0 CAADLO C[N@@H+](CCNC(=O)[C@H]1COCCO1)CC(=O)NC1CC1 ZINC001480844295 892548988 /nfs/dbraw/zinc/54/89/88/892548988.db2.gz JATCWNDGPNUPIW-LLVKDONJSA-N 1 2 285.344 -1.272 20 0 CAADLO Cc1ccnc(C(=O)NCC[N@@H+](C)CC(N)=O)n1 ZINC001480859590 892549760 /nfs/dbraw/zinc/54/97/60/892549760.db2.gz OFSJFQHLRQTDIP-UHFFFAOYSA-N 1 2 251.290 -1.068 20 0 CAADLO Cc1ccnc(C(=O)NCC[N@H+](C)CC(N)=O)n1 ZINC001480859590 892549772 /nfs/dbraw/zinc/54/97/72/892549772.db2.gz OFSJFQHLRQTDIP-UHFFFAOYSA-N 1 2 251.290 -1.068 20 0 CAADLO CN(C)C(=O)C[N@H+](C)CCNC(=O)c1cnn(C)c1N ZINC001480856969 892549957 /nfs/dbraw/zinc/54/99/57/892549957.db2.gz OQAQCLFXUUEEPB-UHFFFAOYSA-N 1 2 282.348 -1.248 20 0 CAADLO CN(C)C(=O)C[N@@H+](C)CCNC(=O)c1cnn(C)c1N ZINC001480856969 892549967 /nfs/dbraw/zinc/54/99/67/892549967.db2.gz OQAQCLFXUUEEPB-UHFFFAOYSA-N 1 2 282.348 -1.248 20 0 CAADLO CCNC(=O)C[N@H+](C)CCNC(=O)C(C)(C)C(N)=O ZINC001480875012 892551876 /nfs/dbraw/zinc/55/18/76/892551876.db2.gz BMFLLSQKMFYSKG-UHFFFAOYSA-N 1 2 272.349 -1.318 20 0 CAADLO CCNC(=O)C[N@@H+](C)CCNC(=O)C(C)(C)C(N)=O ZINC001480875012 892551883 /nfs/dbraw/zinc/55/18/83/892551883.db2.gz BMFLLSQKMFYSKG-UHFFFAOYSA-N 1 2 272.349 -1.318 20 0 CAADLO C[N@H+](CCNC(=O)c1cn[nH]n1)CC(=O)N1CCOCC1 ZINC001480885195 892552061 /nfs/dbraw/zinc/55/20/61/892552061.db2.gz WKAGHTGHKNRZCQ-UHFFFAOYSA-N 1 2 296.331 -1.675 20 0 CAADLO C[N@@H+](CCNC(=O)c1cn[nH]n1)CC(=O)N1CCOCC1 ZINC001480885195 892552080 /nfs/dbraw/zinc/55/20/80/892552080.db2.gz WKAGHTGHKNRZCQ-UHFFFAOYSA-N 1 2 296.331 -1.675 20 0 CAADLO CNC(=O)C[N@H+](C)CCNC(=O)CO[C@H]1CCOC1 ZINC001480864440 892552260 /nfs/dbraw/zinc/55/22/60/892552260.db2.gz PHCGEFPMVBQLQP-JTQLQIEISA-N 1 2 273.333 -1.414 20 0 CAADLO CNC(=O)C[N@@H+](C)CCNC(=O)CO[C@H]1CCOC1 ZINC001480864440 892552275 /nfs/dbraw/zinc/55/22/75/892552275.db2.gz PHCGEFPMVBQLQP-JTQLQIEISA-N 1 2 273.333 -1.414 20 0 CAADLO CN1CCN(CC(=O)NCC[N@H+](C)CC(N)=O)CC1=O ZINC001480885445 892552588 /nfs/dbraw/zinc/55/25/88/892552588.db2.gz WOPYXMJLBHSVQP-UHFFFAOYSA-N 1 2 285.348 -2.706 20 0 CAADLO CN1CCN(CC(=O)NCC[N@@H+](C)CC(N)=O)CC1=O ZINC001480885445 892552603 /nfs/dbraw/zinc/55/26/03/892552603.db2.gz WOPYXMJLBHSVQP-UHFFFAOYSA-N 1 2 285.348 -2.706 20 0 CAADLO Cc1occc1C(=O)NCC(=O)NCC[N@@H+](C)CC(N)=O ZINC001480867649 892553072 /nfs/dbraw/zinc/55/30/72/892553072.db2.gz QGVRUIIOVUOZEG-UHFFFAOYSA-N 1 2 296.327 -1.149 20 0 CAADLO Cc1occc1C(=O)NCC(=O)NCC[N@H+](C)CC(N)=O ZINC001480867649 892553081 /nfs/dbraw/zinc/55/30/81/892553081.db2.gz QGVRUIIOVUOZEG-UHFFFAOYSA-N 1 2 296.327 -1.149 20 0 CAADLO C[N@H+](CCNC(=O)c1ccc2n[nH]nc2n1)CC(N)=O ZINC001480871890 892553326 /nfs/dbraw/zinc/55/33/26/892553326.db2.gz GWWDRKHEPQXUPG-UHFFFAOYSA-N 1 2 277.288 -1.500 20 0 CAADLO C[N@@H+](CCNC(=O)c1ccc2n[nH]nc2n1)CC(N)=O ZINC001480871890 892553332 /nfs/dbraw/zinc/55/33/32/892553332.db2.gz GWWDRKHEPQXUPG-UHFFFAOYSA-N 1 2 277.288 -1.500 20 0 CAADLO C[N@H+](CCNC(=O)c1coc(C(N)=O)c1)CC(N)=O ZINC001480895405 892555826 /nfs/dbraw/zinc/55/58/26/892555826.db2.gz VSTHTSXPYPKABV-UHFFFAOYSA-N 1 2 268.273 -1.475 20 0 CAADLO C[N@@H+](CCNC(=O)c1coc(C(N)=O)c1)CC(N)=O ZINC001480895405 892555833 /nfs/dbraw/zinc/55/58/33/892555833.db2.gz VSTHTSXPYPKABV-UHFFFAOYSA-N 1 2 268.273 -1.475 20 0 CAADLO C[N@H+](CCNC(=O)c1csc(=O)[nH]1)CC(N)=O ZINC001480902438 892558436 /nfs/dbraw/zinc/55/84/36/892558436.db2.gz IZNDQHFZNJGNFK-UHFFFAOYSA-N 1 2 258.303 -1.004 20 0 CAADLO C[N@@H+](CCNC(=O)c1csc(=O)[nH]1)CC(N)=O ZINC001480902438 892558442 /nfs/dbraw/zinc/55/84/42/892558442.db2.gz IZNDQHFZNJGNFK-UHFFFAOYSA-N 1 2 258.303 -1.004 20 0 CAADLO C[N@H+](CCNC(=O)[C@]1(C)CCNC1=O)CC(=O)N1CCC1 ZINC001480911165 892558556 /nfs/dbraw/zinc/55/85/56/892558556.db2.gz ARGLNGDDLZWAFC-CQSZACIVSA-N 1 2 296.371 -1.207 20 0 CAADLO C[N@@H+](CCNC(=O)[C@]1(C)CCNC1=O)CC(=O)N1CCC1 ZINC001480911165 892558561 /nfs/dbraw/zinc/55/85/61/892558561.db2.gz ARGLNGDDLZWAFC-CQSZACIVSA-N 1 2 296.371 -1.207 20 0 CAADLO Cn1cncc1C[N@@H+](C)CCNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001480899303 892559054 /nfs/dbraw/zinc/55/90/54/892559054.db2.gz LJVZCMCFVSDJCR-LLVKDONJSA-N 1 2 294.359 -1.008 20 0 CAADLO Cn1cncc1C[N@H+](C)CCNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001480899303 892559063 /nfs/dbraw/zinc/55/90/63/892559063.db2.gz LJVZCMCFVSDJCR-LLVKDONJSA-N 1 2 294.359 -1.008 20 0 CAADLO CCCNC(=O)C[N@H+](C)CCNC(=O)[C@@H]1CNC(=O)N1 ZINC001480906251 892559901 /nfs/dbraw/zinc/55/99/01/892559901.db2.gz OYQWVWCEYYNQAP-VIFPVBQESA-N 1 2 285.348 -1.758 20 0 CAADLO CCCNC(=O)C[N@@H+](C)CCNC(=O)[C@@H]1CNC(=O)N1 ZINC001480906251 892559912 /nfs/dbraw/zinc/55/99/12/892559912.db2.gz OYQWVWCEYYNQAP-VIFPVBQESA-N 1 2 285.348 -1.758 20 0 CAADLO CCCNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)C(N)=O ZINC001480912756 892559932 /nfs/dbraw/zinc/55/99/32/892559932.db2.gz YETODPSYAQWSFZ-MRVPVSSYSA-N 1 2 258.322 -1.566 20 0 CAADLO CCCNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)C(N)=O ZINC001480912756 892559942 /nfs/dbraw/zinc/55/99/42/892559942.db2.gz YETODPSYAQWSFZ-MRVPVSSYSA-N 1 2 258.322 -1.566 20 0 CAADLO C[N@H+](CCNC(=O)C(N)=O)CC(=O)NC[C@@H]1CCCO1 ZINC001480911119 892560126 /nfs/dbraw/zinc/56/01/26/892560126.db2.gz AAFOJBYCDKVNKB-VIFPVBQESA-N 1 2 286.332 -2.185 20 0 CAADLO C[N@@H+](CCNC(=O)C(N)=O)CC(=O)NC[C@@H]1CCCO1 ZINC001480911119 892560136 /nfs/dbraw/zinc/56/01/36/892560136.db2.gz AAFOJBYCDKVNKB-VIFPVBQESA-N 1 2 286.332 -2.185 20 0 CAADLO CCNC(=O)C[N@H+](C)CCNC(=O)c1cc(C(N)=O)c[nH]1 ZINC001480930853 892564195 /nfs/dbraw/zinc/56/41/95/892564195.db2.gz WAAQOEFPCXYGIU-UHFFFAOYSA-N 1 2 295.343 -1.089 20 0 CAADLO CCNC(=O)C[N@@H+](C)CCNC(=O)c1cc(C(N)=O)c[nH]1 ZINC001480930853 892564204 /nfs/dbraw/zinc/56/42/04/892564204.db2.gz WAAQOEFPCXYGIU-UHFFFAOYSA-N 1 2 295.343 -1.089 20 0 CAADLO CNC(=O)C[N@H+](C)CCNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001480914174 892564582 /nfs/dbraw/zinc/56/45/82/892564582.db2.gz JTWHCXDJGHUREE-SFYZADRCSA-N 1 2 256.306 -2.098 20 0 CAADLO CNC(=O)C[N@@H+](C)CCNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001480914174 892564590 /nfs/dbraw/zinc/56/45/90/892564590.db2.gz JTWHCXDJGHUREE-SFYZADRCSA-N 1 2 256.306 -2.098 20 0 CAADLO C[C@H](C(N)=O)[N@H+](C)CCNC(=O)C(=O)NCC1CC1 ZINC001480929599 892565110 /nfs/dbraw/zinc/56/51/10/892565110.db2.gz HKNGGTCPIZIZTE-MRVPVSSYSA-N 1 2 270.333 -1.566 20 0 CAADLO C[C@H](C(N)=O)[N@@H+](C)CCNC(=O)C(=O)NCC1CC1 ZINC001480929599 892565125 /nfs/dbraw/zinc/56/51/25/892565125.db2.gz HKNGGTCPIZIZTE-MRVPVSSYSA-N 1 2 270.333 -1.566 20 0 CAADLO CNC(=O)c1cccc(C(=O)NCC[N@H+](C)CC(N)=O)n1 ZINC001480941730 892565451 /nfs/dbraw/zinc/56/54/51/892565451.db2.gz HVCINTNMBYJWTQ-UHFFFAOYSA-N 1 2 293.327 -1.412 20 0 CAADLO CNC(=O)c1cccc(C(=O)NCC[N@@H+](C)CC(N)=O)n1 ZINC001480941730 892565466 /nfs/dbraw/zinc/56/54/66/892565466.db2.gz HVCINTNMBYJWTQ-UHFFFAOYSA-N 1 2 293.327 -1.412 20 0 CAADLO CCNC(=O)C[N@H+](C)CCNC(=O)c1ccc(C(N)=O)[nH]1 ZINC001480914748 892565662 /nfs/dbraw/zinc/56/56/62/892565662.db2.gz ZUEFGWQRWGTSKG-UHFFFAOYSA-N 1 2 295.343 -1.089 20 0 CAADLO CCNC(=O)C[N@@H+](C)CCNC(=O)c1ccc(C(N)=O)[nH]1 ZINC001480914748 892565665 /nfs/dbraw/zinc/56/56/65/892565665.db2.gz ZUEFGWQRWGTSKG-UHFFFAOYSA-N 1 2 295.343 -1.089 20 0 CAADLO CC[N@H+](CCCS(C)(=O)=O)CCNC(=O)C(N)=O ZINC001480998303 892567722 /nfs/dbraw/zinc/56/77/22/892567722.db2.gz XPFDDTZDIAUGEO-UHFFFAOYSA-N 1 2 279.362 -1.656 20 0 CAADLO CC[N@@H+](CCCS(C)(=O)=O)CCNC(=O)C(N)=O ZINC001480998303 892567734 /nfs/dbraw/zinc/56/77/34/892567734.db2.gz XPFDDTZDIAUGEO-UHFFFAOYSA-N 1 2 279.362 -1.656 20 0 CAADLO CNC(=O)C[N@H+](C)CCNC(=O)CCc1cn(C)nn1 ZINC001480955980 892568888 /nfs/dbraw/zinc/56/88/88/892568888.db2.gz XBQNIAUNPZLBES-UHFFFAOYSA-N 1 2 282.348 -1.458 20 0 CAADLO CNC(=O)C[N@@H+](C)CCNC(=O)CCc1cn(C)nn1 ZINC001480955980 892568894 /nfs/dbraw/zinc/56/88/94/892568894.db2.gz XBQNIAUNPZLBES-UHFFFAOYSA-N 1 2 282.348 -1.458 20 0 CAADLO O=C(Cn1ncnn1)NC[C@@H]1CC[N@H+](Cc2cnon2)C1 ZINC001481091944 892573160 /nfs/dbraw/zinc/57/31/60/892573160.db2.gz CFDUPLURAGAGSW-VIFPVBQESA-N 1 2 292.303 -1.306 20 0 CAADLO O=C(Cn1ncnn1)NC[C@@H]1CC[N@@H+](Cc2cnon2)C1 ZINC001481091944 892573167 /nfs/dbraw/zinc/57/31/67/892573167.db2.gz CFDUPLURAGAGSW-VIFPVBQESA-N 1 2 292.303 -1.306 20 0 CAADLO CC[C@H](C)NC(=O)C[N@H+]1CCC[C@H]1CNC(=O)C(N)=O ZINC001481055564 892574361 /nfs/dbraw/zinc/57/43/61/892574361.db2.gz IQPZZCNKRIXKOG-UWVGGRQHSA-N 1 2 284.360 -1.033 20 0 CAADLO CC[C@H](C)NC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)C(N)=O ZINC001481055564 892574357 /nfs/dbraw/zinc/57/43/57/892574357.db2.gz IQPZZCNKRIXKOG-UWVGGRQHSA-N 1 2 284.360 -1.033 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](CNC(=O)Cc2nnc[nH]2)C1 ZINC001481120207 892577650 /nfs/dbraw/zinc/57/76/50/892577650.db2.gz ZLYAVUSLHRKFHR-MRVPVSSYSA-N 1 2 266.305 -1.729 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](CNC(=O)Cc2nnc[nH]2)C1 ZINC001481120207 892577658 /nfs/dbraw/zinc/57/76/58/892577658.db2.gz ZLYAVUSLHRKFHR-MRVPVSSYSA-N 1 2 266.305 -1.729 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](CNC(=O)Cc2nnc[nH]2)C1 ZINC001481120208 892578919 /nfs/dbraw/zinc/57/89/19/892578919.db2.gz ZLYAVUSLHRKFHR-QMMMGPOBSA-N 1 2 266.305 -1.729 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](CNC(=O)Cc2nnc[nH]2)C1 ZINC001481120208 892578930 /nfs/dbraw/zinc/57/89/30/892578930.db2.gz ZLYAVUSLHRKFHR-QMMMGPOBSA-N 1 2 266.305 -1.729 20 0 CAADLO CN(CC[NH2+]Cc1nc(=O)n(C)[nH]1)C(=O)[C@@H]1COCCO1 ZINC001481208750 892582403 /nfs/dbraw/zinc/58/24/03/892582403.db2.gz HAIAHQJXXPITRH-VIFPVBQESA-N 1 2 299.331 -1.928 20 0 CAADLO CN(C)C(=O)C[N@H+](CCNC(=O)C(N)=O)C1CC1 ZINC001481184163 892582466 /nfs/dbraw/zinc/58/24/66/892582466.db2.gz ZWTJUJWHLYOVQO-UHFFFAOYSA-N 1 2 256.306 -1.860 20 0 CAADLO CN(C)C(=O)C[N@@H+](CCNC(=O)C(N)=O)C1CC1 ZINC001481184163 892582471 /nfs/dbraw/zinc/58/24/71/892582471.db2.gz ZWTJUJWHLYOVQO-UHFFFAOYSA-N 1 2 256.306 -1.860 20 0 CAADLO CN(CC[NH2+]Cc1cnon1)C(=O)[C@@H]1COC(=O)N1 ZINC001481225183 892585270 /nfs/dbraw/zinc/58/52/70/892585270.db2.gz KAVNTDHBCLMQOH-QMMMGPOBSA-N 1 2 269.261 -1.274 20 0 CAADLO C[C@@H](CC(N)=O)C(=O)N(C)CC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001481266591 892590423 /nfs/dbraw/zinc/59/04/23/892590423.db2.gz IMXATWPKMRZITK-QMMMGPOBSA-N 1 2 298.347 -1.832 20 0 CAADLO C[C@H](CC(N)=O)C(=O)N(C)CC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001481266587 892590570 /nfs/dbraw/zinc/59/05/70/892590570.db2.gz IMXATWPKMRZITK-MRVPVSSYSA-N 1 2 298.347 -1.832 20 0 CAADLO CN(CC[NH2+]Cc1cnon1)C(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001481280637 892593889 /nfs/dbraw/zinc/59/38/89/892593889.db2.gz UVPJDHILGPENAZ-VHSXEESVSA-N 1 2 297.315 -1.350 20 0 CAADLO CCc1nnc(C[NH2+]CCN(C)C(=O)[C@@H]2CNC(=O)N2)o1 ZINC001481274427 892594977 /nfs/dbraw/zinc/59/49/77/892594977.db2.gz QXPVKVFCCNKVAS-QMMMGPOBSA-N 1 2 296.331 -1.139 20 0 CAADLO COCC(=O)NC1C[NH+](CCOCCNC(C)=O)C1 ZINC001481539993 892600977 /nfs/dbraw/zinc/60/09/77/892600977.db2.gz JAOAXAPPSPJCTA-UHFFFAOYSA-N 1 2 273.333 -1.414 20 0 CAADLO CC[C@@H](NC(C)=O)C(=O)N[C@@H]1CCC[N@H+](CC(N)=O)C1 ZINC001481528309 892601424 /nfs/dbraw/zinc/60/14/24/892601424.db2.gz HJRHTRQJOYVRFI-GHMZBOCLSA-N 1 2 284.360 -1.033 20 0 CAADLO CC[C@@H](NC(C)=O)C(=O)N[C@@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001481528309 892601427 /nfs/dbraw/zinc/60/14/27/892601427.db2.gz HJRHTRQJOYVRFI-GHMZBOCLSA-N 1 2 284.360 -1.033 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(NC(=O)[C@H]2CCCNC2=O)C1 ZINC001481565227 892607996 /nfs/dbraw/zinc/60/79/96/892607996.db2.gz FCKTWOVVMZKOEY-QWRGUYRKSA-N 1 2 285.344 -1.680 20 0 CAADLO COC[C@H](O)C[NH+]1CC(NC(=O)[C@@H]2COC(=O)N2)C1 ZINC001481556412 892608130 /nfs/dbraw/zinc/60/81/30/892608130.db2.gz VILMZZMWTHAPRP-BDAKNGLRSA-N 1 2 273.289 -2.098 20 0 CAADLO CNS(=O)(=O)CCC(=O)NC1C[NH+](C[C@H](C)O)C1 ZINC001481558536 892608305 /nfs/dbraw/zinc/60/83/05/892608305.db2.gz GULCREOJCPROEM-QMMMGPOBSA-N 1 2 279.362 -1.893 20 0 CAADLO O=C(NC1C[NH+](CCOCCO)C1)c1cnc[nH]c1=O ZINC001481565024 892608546 /nfs/dbraw/zinc/60/85/46/892608546.db2.gz AFEWJIQILIBCBJ-UHFFFAOYSA-N 1 2 282.300 -1.395 20 0 CAADLO CNC(=O)NCCC(=O)NC1C[NH+](CCOC)C1 ZINC001481557609 892608647 /nfs/dbraw/zinc/60/86/47/892608647.db2.gz VYOWXGOWMUGSTJ-UHFFFAOYSA-N 1 2 258.322 -1.248 20 0 CAADLO Cn1cnn(CCC(=O)NC2C[NH+](CCCO)C2)c1=O ZINC001481572720 892610227 /nfs/dbraw/zinc/61/02/27/892610227.db2.gz BVPWPACOQKQDCH-UHFFFAOYSA-N 1 2 283.332 -1.845 20 0 CAADLO O=C(NC1C[NH+](CCOCCO)C1)[C@@H]1CCC(=O)NC1 ZINC001481568516 892610439 /nfs/dbraw/zinc/61/04/39/892610439.db2.gz COJHMFQKIPPTLG-SNVBAGLBSA-N 1 2 285.344 -1.678 20 0 CAADLO CNC(=O)NCCC(=O)NCC1C[NH+](CC(N)=O)C1 ZINC001481623591 892612604 /nfs/dbraw/zinc/61/26/04/892612604.db2.gz VOSJDWHEYXVKIG-UHFFFAOYSA-N 1 2 271.321 -2.161 20 0 CAADLO COCCC(=O)NCC1C[NH+](CC(=O)N2CCOCC2)C1 ZINC001481611181 892612630 /nfs/dbraw/zinc/61/26/30/892612630.db2.gz QFXKGKSJMAMOHD-UHFFFAOYSA-N 1 2 299.371 -1.070 20 0 CAADLO NC(=O)CC(=O)NCC1C[NH+](CC(=O)NC2CCCC2)C1 ZINC001481619355 892612677 /nfs/dbraw/zinc/61/26/77/892612677.db2.gz SRIITGVRQSWGHW-UHFFFAOYSA-N 1 2 296.371 -1.031 20 0 CAADLO CC(C)C(=O)NCC1C[NH+](CC(=O)N2CCNC(=O)C2)C1 ZINC001481611937 892612700 /nfs/dbraw/zinc/61/27/00/892612700.db2.gz ITQFJRKGEHIPEB-UHFFFAOYSA-N 1 2 296.371 -1.351 20 0 CAADLO CO[C@@H](C)C(=O)NCC1C[NH+](CCNS(C)(=O)=O)C1 ZINC001481615719 892613110 /nfs/dbraw/zinc/61/31/10/892613110.db2.gz FLUKJEJWPBIKDV-VIFPVBQESA-N 1 2 293.389 -1.382 20 0 CAADLO NC(=O)NC(=O)C[NH+]1CC(CNC(=O)C2=CCOCC2)C1 ZINC001481620867 892613472 /nfs/dbraw/zinc/61/34/72/892613472.db2.gz BSKALPAEMBLVML-UHFFFAOYSA-N 1 2 296.327 -1.424 20 0 CAADLO CNC(=O)C[NH+]1CC(CNC(=O)Cc2cnn(C)c2)C1 ZINC001481614700 892613543 /nfs/dbraw/zinc/61/35/43/892613543.db2.gz HPFWNGLGDWGRAQ-UHFFFAOYSA-N 1 2 279.344 -1.243 20 0 CAADLO CN(C)C(=O)C[NH+]1CC(CNC(=O)CO[C@H]2CCOC2)C1 ZINC001481624790 892613951 /nfs/dbraw/zinc/61/39/51/892613951.db2.gz IJSYRCNDTXMEML-LBPRGKRZSA-N 1 2 299.371 -1.072 20 0 CAADLO CCNC(=O)C[NH+]1CC(CNC(=O)[C@@H]2CC(=O)N(C)C2)C1 ZINC001481627736 892614022 /nfs/dbraw/zinc/61/40/22/892614022.db2.gz GKVCMWOPVBLMGF-LLVKDONJSA-N 1 2 296.371 -1.351 20 0 CAADLO Cc1nnc(CC(=O)NCC2C[NH+](CC(N)=O)C2)[nH]1 ZINC001481624835 892614780 /nfs/dbraw/zinc/61/47/80/892614780.db2.gz JUVMBIAWWSPNTL-UHFFFAOYSA-N 1 2 266.305 -1.811 20 0 CAADLO CNC(=O)C[NH+]1CC(CNC(=O)C[C@@H]2CCC(=O)NC2)C1 ZINC001481628669 892615098 /nfs/dbraw/zinc/61/50/98/892615098.db2.gz MIXOHYPNMXEZEY-JTQLQIEISA-N 1 2 296.371 -1.303 20 0 CAADLO CNC(=O)NCC(=O)NCC1C[NH+](Cc2ccnn2C)C1 ZINC001481628643 892615167 /nfs/dbraw/zinc/61/51/67/892615167.db2.gz XFKCCHIWNGTPBO-UHFFFAOYSA-N 1 2 294.359 -1.103 20 0 CAADLO C[C@@H](CC(N)=O)C(=O)NCC1C[NH+](CC(=O)N(C)C)C1 ZINC001481638251 892616104 /nfs/dbraw/zinc/61/61/04/892616104.db2.gz IXOZGQMNLZNNAR-VIFPVBQESA-N 1 2 284.360 -1.366 20 0 CAADLO CNC(=O)C[NH+]1CC(CNC(=O)[C@]2(C)CCC(=O)N2)C1 ZINC001481644037 892616310 /nfs/dbraw/zinc/61/63/10/892616310.db2.gz VYHBLCQMWATVOQ-ZDUSSCGKSA-N 1 2 282.344 -1.551 20 0 CAADLO CCC[C@@H](NC(N)=O)C(=O)NCC1C[NH+](CC(N)=O)C1 ZINC001481655755 892616454 /nfs/dbraw/zinc/61/64/54/892616454.db2.gz IWKZVCCSIUHPEL-SECBINFHSA-N 1 2 285.348 -1.643 20 0 CAADLO CC[C@H](C)NC(=O)C[NH+]1CC(CNC(=O)C(N)=O)C1 ZINC001481642780 892616589 /nfs/dbraw/zinc/61/65/89/892616589.db2.gz MAVCYNKXEGVKCJ-QMMMGPOBSA-N 1 2 270.333 -1.566 20 0 CAADLO CCNC(=O)C[NH+]1CC(CNC(=O)[C@H]2CCCNC2=O)C1 ZINC001481631304 892616822 /nfs/dbraw/zinc/61/68/22/892616822.db2.gz XCPVGQFCTPWQNT-NSHDSACASA-N 1 2 296.371 -1.303 20 0 CAADLO CN(C)C(=O)C[NH+]1CC(CNC(=O)C[C@H]2CCC(=O)N2)C1 ZINC001481649157 892616919 /nfs/dbraw/zinc/61/69/19/892616919.db2.gz CNOBXVWZGCWLPX-LLVKDONJSA-N 1 2 296.371 -1.209 20 0 CAADLO C[C@@H]1CCCN(C(=O)C(=O)NCC2C[NH+](CC(N)=O)C2)C1 ZINC001481647844 892617237 /nfs/dbraw/zinc/61/72/37/892617237.db2.gz HTCYDRHGWRWQTO-SNVBAGLBSA-N 1 2 296.371 -1.222 20 0 CAADLO CNC(=O)C1(C(=O)NCC2C[NH+]([C@H](C)C(N)=O)C2)CC1 ZINC001481650597 892617276 /nfs/dbraw/zinc/61/72/76/892617276.db2.gz JWAAPKZFDJAVPJ-MRVPVSSYSA-N 1 2 282.344 -1.566 20 0 CAADLO CCNC(=O)C[NH+]1CC(CNC(=O)[C@@H]2CCCNC2=O)C1 ZINC001481631303 892617579 /nfs/dbraw/zinc/61/75/79/892617579.db2.gz XCPVGQFCTPWQNT-LLVKDONJSA-N 1 2 296.371 -1.303 20 0 CAADLO O=C(Cc1nc[nH]n1)NCC1C[NH+]([C@H]2CCNC2=O)C1 ZINC001481655081 892617658 /nfs/dbraw/zinc/61/76/58/892617658.db2.gz WYCQEUZABSYVJW-VIFPVBQESA-N 1 2 278.316 -1.716 20 0 CAADLO CN(C)C(=O)C[NH+]1CC(CNC(=O)C[C@@H]2CCC(=O)N2)C1 ZINC001481649158 892617710 /nfs/dbraw/zinc/61/77/10/892617710.db2.gz CNOBXVWZGCWLPX-NSHDSACASA-N 1 2 296.371 -1.209 20 0 CAADLO Cn1nccc1COCC(=O)NCC1C[NH+](CC(N)=O)C1 ZINC001481633699 892618385 /nfs/dbraw/zinc/61/83/85/892618385.db2.gz XSCVKVOLWHCKMM-UHFFFAOYSA-N 1 2 295.343 -1.530 20 0 CAADLO C[C@@H](O)C[NH+]1CC(CNC(=O)CCS(C)(=O)=O)C1 ZINC001481631492 892618406 /nfs/dbraw/zinc/61/84/06/892618406.db2.gz YXRHGCMHECVJSS-SECBINFHSA-N 1 2 278.374 -1.150 20 0 CAADLO CCNC(=O)C[NH+]1CC(CNC(=O)[C@@H](COC)OC)C1 ZINC001481645603 892618487 /nfs/dbraw/zinc/61/84/87/892618487.db2.gz RSWQNRMWFIAHMV-LLVKDONJSA-N 1 2 287.360 -1.168 20 0 CAADLO C[C@H](C(N)=O)[NH+]1CC(CNC(=O)C[C@H]2CCN(C)C2=O)C1 ZINC001481632509 892618570 /nfs/dbraw/zinc/61/85/70/892618570.db2.gz HHKFYDKUEVVUIA-MWLCHTKSSA-N 1 2 296.371 -1.223 20 0 CAADLO C[C@H](O)C[NH+]1CC(CNC(=O)CCS(C)(=O)=O)C1 ZINC001481631493 892618582 /nfs/dbraw/zinc/61/85/82/892618582.db2.gz YXRHGCMHECVJSS-VIFPVBQESA-N 1 2 278.374 -1.150 20 0 CAADLO COCCCC(=O)N[C@@H]1CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001481698859 892619876 /nfs/dbraw/zinc/61/98/76/892619876.db2.gz SXLMDHUYYYWOJZ-SECBINFHSA-N 1 2 286.332 -1.202 20 0 CAADLO COCCCC(=O)N[C@@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001481698859 892619885 /nfs/dbraw/zinc/61/98/85/892619885.db2.gz SXLMDHUYYYWOJZ-SECBINFHSA-N 1 2 286.332 -1.202 20 0 CAADLO CCC(=O)NCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@@H]1CCNC1=O ZINC001481668492 892620122 /nfs/dbraw/zinc/62/01/22/892620122.db2.gz VQBXZVPZSBYZHG-GARJFASQSA-N 1 2 294.355 -1.314 20 0 CAADLO CCC(=O)NCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2[C@@H]1CCNC1=O ZINC001481668492 892620131 /nfs/dbraw/zinc/62/01/31/892620131.db2.gz VQBXZVPZSBYZHG-GARJFASQSA-N 1 2 294.355 -1.314 20 0 CAADLO NC(=O)C[NH+]1CC(CNC(=O)Cn2ccccc2=O)C1 ZINC001481659296 892620257 /nfs/dbraw/zinc/62/02/57/892620257.db2.gz BICXVCZGFVSKOY-UHFFFAOYSA-N 1 2 278.312 -1.618 20 0 CAADLO CN(C)S(=O)(=O)CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCO ZINC001481680486 892620291 /nfs/dbraw/zinc/62/02/91/892620291.db2.gz BLQQYORNIDJZGB-UWVGGRQHSA-N 1 2 291.373 -1.845 20 0 CAADLO CN(C)S(=O)(=O)CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCO ZINC001481680486 892620294 /nfs/dbraw/zinc/62/02/94/892620294.db2.gz BLQQYORNIDJZGB-UWVGGRQHSA-N 1 2 291.373 -1.845 20 0 CAADLO CO[C@@H](C)C(=O)N[C@@H]1CC[N@@H+]([C@H](C)C(=O)NC(N)=O)C1 ZINC001481698991 892620694 /nfs/dbraw/zinc/62/06/94/892620694.db2.gz ZOMOBYSMAQHTTR-HRDYMLBCSA-N 1 2 286.332 -1.205 20 0 CAADLO CO[C@@H](C)C(=O)N[C@@H]1CC[N@H+]([C@H](C)C(=O)NC(N)=O)C1 ZINC001481698991 892620697 /nfs/dbraw/zinc/62/06/97/892620697.db2.gz ZOMOBYSMAQHTTR-HRDYMLBCSA-N 1 2 286.332 -1.205 20 0 CAADLO CO[C@H](C)C(=O)N[C@@H]1CC[N@@H+]([C@@H](C)C(=O)NC(N)=O)C1 ZINC001481698990 892621125 /nfs/dbraw/zinc/62/11/25/892621125.db2.gz ZOMOBYSMAQHTTR-DJLDLDEBSA-N 1 2 286.332 -1.205 20 0 CAADLO CO[C@H](C)C(=O)N[C@@H]1CC[N@H+]([C@@H](C)C(=O)NC(N)=O)C1 ZINC001481698990 892621131 /nfs/dbraw/zinc/62/11/31/892621131.db2.gz ZOMOBYSMAQHTTR-DJLDLDEBSA-N 1 2 286.332 -1.205 20 0 CAADLO CCS(=O)(=O)CC(=O)NCC1C[NH+](C[C@H](C)O)C1 ZINC001481671701 892621476 /nfs/dbraw/zinc/62/14/76/892621476.db2.gz XSUJIZBGJOSKSR-VIFPVBQESA-N 1 2 278.374 -1.150 20 0 CAADLO CCC(=O)NCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@H]1CCNC1=O ZINC001481668490 892621660 /nfs/dbraw/zinc/62/16/60/892621660.db2.gz VQBXZVPZSBYZHG-DCAQKATOSA-N 1 2 294.355 -1.314 20 0 CAADLO CCC(=O)NCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2[C@H]1CCNC1=O ZINC001481668490 892621667 /nfs/dbraw/zinc/62/16/67/892621667.db2.gz VQBXZVPZSBYZHG-DCAQKATOSA-N 1 2 294.355 -1.314 20 0 CAADLO CCC[C@@H](NC(N)=O)C(=O)N[C@@H]1CC[N@H+](CC(=O)NC)C1 ZINC001481709057 892623153 /nfs/dbraw/zinc/62/31/53/892623153.db2.gz XIKISPBNXPVSGW-NXEZZACHSA-N 1 2 299.375 -1.240 20 0 CAADLO CCC[C@@H](NC(N)=O)C(=O)N[C@@H]1CC[N@@H+](CC(=O)NC)C1 ZINC001481709057 892623157 /nfs/dbraw/zinc/62/31/57/892623157.db2.gz XIKISPBNXPVSGW-NXEZZACHSA-N 1 2 299.375 -1.240 20 0 CAADLO CCN(C(=O)[C@H](C)CC(N)=O)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001481771468 892623239 /nfs/dbraw/zinc/62/32/39/892623239.db2.gz NJYSVTHSCJOSBD-NXEZZACHSA-N 1 2 284.360 -1.094 20 0 CAADLO CCN(C(=O)[C@H](C)CC(N)=O)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001481771468 892623243 /nfs/dbraw/zinc/62/32/43/892623243.db2.gz NJYSVTHSCJOSBD-NXEZZACHSA-N 1 2 284.360 -1.094 20 0 CAADLO Cn1nncc1C[N@@H+]1CC[C@@H](NC(=O)C2(C(N)=O)CC2)C1 ZINC001481705893 892623513 /nfs/dbraw/zinc/62/35/13/892623513.db2.gz XNQDHXRJZQFLGF-SECBINFHSA-N 1 2 292.343 -1.229 20 0 CAADLO Cn1nncc1C[N@H+]1CC[C@@H](NC(=O)C2(C(N)=O)CC2)C1 ZINC001481705893 892623516 /nfs/dbraw/zinc/62/35/16/892623516.db2.gz XNQDHXRJZQFLGF-SECBINFHSA-N 1 2 292.343 -1.229 20 0 CAADLO CNC(=O)NC(=O)C[N@@H+]1CC[C@@H](NC(=O)CC(N)=O)C1 ZINC001481700218 892623589 /nfs/dbraw/zinc/62/35/89/892623589.db2.gz QPDOAWQIZWTEMX-SSDOTTSWSA-N 1 2 285.304 -2.492 20 0 CAADLO CNC(=O)NC(=O)C[N@H+]1CC[C@@H](NC(=O)CC(N)=O)C1 ZINC001481700218 892623591 /nfs/dbraw/zinc/62/35/91/892623591.db2.gz QPDOAWQIZWTEMX-SSDOTTSWSA-N 1 2 285.304 -2.492 20 0 CAADLO CN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)C(=O)NCC2CC2)C1 ZINC001481707664 892623770 /nfs/dbraw/zinc/62/37/70/892623770.db2.gz ZSTYTCHMFQTBJF-LLVKDONJSA-N 1 2 296.371 -1.209 20 0 CAADLO CN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)C(=O)NCC2CC2)C1 ZINC001481707664 892623777 /nfs/dbraw/zinc/62/37/77/892623777.db2.gz ZSTYTCHMFQTBJF-LLVKDONJSA-N 1 2 296.371 -1.209 20 0 CAADLO CCNC(=O)NC(=O)C[N@@H+]1CC[C@@H](NC(=O)CC(N)=O)C1 ZINC001481700083 892623857 /nfs/dbraw/zinc/62/38/57/892623857.db2.gz FVXIUXXWXVDUMX-MRVPVSSYSA-N 1 2 299.331 -2.102 20 0 CAADLO CCNC(=O)NC(=O)C[N@H+]1CC[C@@H](NC(=O)CC(N)=O)C1 ZINC001481700083 892623870 /nfs/dbraw/zinc/62/38/70/892623870.db2.gz FVXIUXXWXVDUMX-MRVPVSSYSA-N 1 2 299.331 -2.102 20 0 CAADLO CCN(C(=O)[C@@H](C)CC(N)=O)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001481771470 892623898 /nfs/dbraw/zinc/62/38/98/892623898.db2.gz NJYSVTHSCJOSBD-UWVGGRQHSA-N 1 2 284.360 -1.094 20 0 CAADLO CCN(C(=O)[C@@H](C)CC(N)=O)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001481771470 892623907 /nfs/dbraw/zinc/62/39/07/892623907.db2.gz NJYSVTHSCJOSBD-UWVGGRQHSA-N 1 2 284.360 -1.094 20 0 CAADLO CC(=O)NC(C)(C)C(=O)N(C)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001481743692 892625583 /nfs/dbraw/zinc/62/55/83/892625583.db2.gz PQPLAHDQPCONIB-JTQLQIEISA-N 1 2 284.360 -1.081 20 0 CAADLO CC(=O)NC(C)(C)C(=O)N(C)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001481743692 892625587 /nfs/dbraw/zinc/62/55/87/892625587.db2.gz PQPLAHDQPCONIB-JTQLQIEISA-N 1 2 284.360 -1.081 20 0 CAADLO CN(C(=O)Cc1ncn[nH]1)[C@@H]1CC[N@H+](CCOCCO)C1 ZINC001481747778 892625844 /nfs/dbraw/zinc/62/58/44/892625844.db2.gz SVKCSZJTNUHMDZ-LLVKDONJSA-N 1 2 297.359 -1.111 20 0 CAADLO CN(C(=O)Cc1ncn[nH]1)[C@@H]1CC[N@@H+](CCOCCO)C1 ZINC001481747778 892625848 /nfs/dbraw/zinc/62/58/48/892625848.db2.gz SVKCSZJTNUHMDZ-LLVKDONJSA-N 1 2 297.359 -1.111 20 0 CAADLO CC[C@@H](CNC(=O)c1cnn(C)n1)[NH2+]Cc1nnn(C)n1 ZINC001481859922 892631009 /nfs/dbraw/zinc/63/10/09/892631009.db2.gz MWZYLMKPDWHJTD-QMMMGPOBSA-N 1 2 293.335 -1.363 20 0 CAADLO O=C(CN1CCOCC1)NC[C@@H]1C[N@H+](CCO)CCO1 ZINC001482186204 892638741 /nfs/dbraw/zinc/63/87/41/892638741.db2.gz GHVCSEZZVMKIJM-GFCCVEGCSA-N 1 2 287.360 -1.872 20 0 CAADLO O=C(CN1CCOCC1)NC[C@@H]1C[N@@H+](CCO)CCO1 ZINC001482186204 892638746 /nfs/dbraw/zinc/63/87/46/892638746.db2.gz GHVCSEZZVMKIJM-GFCCVEGCSA-N 1 2 287.360 -1.872 20 0 CAADLO CN(CC(=O)NC[C@H]1C[N@H+](CCO)CCO1)C(=O)C1CC1 ZINC001482189675 892638668 /nfs/dbraw/zinc/63/86/68/892638668.db2.gz SYYJRHIRPUVUDM-LBPRGKRZSA-N 1 2 299.371 -1.336 20 0 CAADLO CN(CC(=O)NC[C@H]1C[N@@H+](CCO)CCO1)C(=O)C1CC1 ZINC001482189675 892638673 /nfs/dbraw/zinc/63/86/73/892638673.db2.gz SYYJRHIRPUVUDM-LBPRGKRZSA-N 1 2 299.371 -1.336 20 0 CAADLO O=C(C[C@H]1CCNC1=O)NC[C@H]1C[N@H+](CCO)CCO1 ZINC001482189377 892638822 /nfs/dbraw/zinc/63/88/22/892638822.db2.gz RKTVNNHUFOCKFS-MNOVXSKESA-N 1 2 285.344 -1.678 20 0 CAADLO O=C(C[C@H]1CCNC1=O)NC[C@H]1C[N@@H+](CCO)CCO1 ZINC001482189377 892638826 /nfs/dbraw/zinc/63/88/26/892638826.db2.gz RKTVNNHUFOCKFS-MNOVXSKESA-N 1 2 285.344 -1.678 20 0 CAADLO O=C(C[C@@H]1COC(=O)C1)NC[C@H]1C[N@H+](CCO)CCO1 ZINC001482187128 892638876 /nfs/dbraw/zinc/63/88/76/892638876.db2.gz SAWLRADHCDTEKU-QWRGUYRKSA-N 1 2 286.328 -1.251 20 0 CAADLO O=C(C[C@@H]1COC(=O)C1)NC[C@H]1C[N@@H+](CCO)CCO1 ZINC001482187128 892638878 /nfs/dbraw/zinc/63/88/78/892638878.db2.gz SAWLRADHCDTEKU-QWRGUYRKSA-N 1 2 286.328 -1.251 20 0 CAADLO O=C(C[C@@H]1CCNC1=O)NC[C@@H]1C[N@H+](CCO)CCO1 ZINC001482189379 892639033 /nfs/dbraw/zinc/63/90/33/892639033.db2.gz RKTVNNHUFOCKFS-WDEREUQCSA-N 1 2 285.344 -1.678 20 0 CAADLO O=C(C[C@@H]1CCNC1=O)NC[C@@H]1C[N@@H+](CCO)CCO1 ZINC001482189379 892639037 /nfs/dbraw/zinc/63/90/37/892639037.db2.gz RKTVNNHUFOCKFS-WDEREUQCSA-N 1 2 285.344 -1.678 20 0 CAADLO O=C(C[C@H]1COC(=O)C1)NC[C@H]1C[N@H+](CCO)CCO1 ZINC001482187127 892640284 /nfs/dbraw/zinc/64/02/84/892640284.db2.gz SAWLRADHCDTEKU-MNOVXSKESA-N 1 2 286.328 -1.251 20 0 CAADLO O=C(C[C@H]1COC(=O)C1)NC[C@H]1C[N@@H+](CCO)CCO1 ZINC001482187127 892640291 /nfs/dbraw/zinc/64/02/91/892640291.db2.gz SAWLRADHCDTEKU-MNOVXSKESA-N 1 2 286.328 -1.251 20 0 CAADLO O=C(CCCn1cncn1)NC[C@H]1C[N@H+](CCO)CCO1 ZINC001482202715 892641599 /nfs/dbraw/zinc/64/15/99/892641599.db2.gz LAYJQZLAYPPEIF-LBPRGKRZSA-N 1 2 297.359 -1.132 20 0 CAADLO O=C(CCCn1cncn1)NC[C@H]1C[N@@H+](CCO)CCO1 ZINC001482202715 892641606 /nfs/dbraw/zinc/64/16/06/892641606.db2.gz LAYJQZLAYPPEIF-LBPRGKRZSA-N 1 2 297.359 -1.132 20 0 CAADLO O=C(Cc1ncc[nH]1)NC[C@H]1C[N@H+](CCO)CCO1 ZINC001482201828 892642859 /nfs/dbraw/zinc/64/28/59/892642859.db2.gz FIXAKWIGUMXDQM-JTQLQIEISA-N 1 2 268.317 -1.239 20 0 CAADLO O=C(Cc1ncc[nH]1)NC[C@H]1C[N@@H+](CCO)CCO1 ZINC001482201828 892642866 /nfs/dbraw/zinc/64/28/66/892642866.db2.gz FIXAKWIGUMXDQM-JTQLQIEISA-N 1 2 268.317 -1.239 20 0 CAADLO O=C(Cn1ncnn1)NC[C@@H]1C[N@H+](CCO)CCO1 ZINC001482193102 892642959 /nfs/dbraw/zinc/64/29/59/892642959.db2.gz SHDYRUDCNDJCRM-SECBINFHSA-N 1 2 270.293 -2.518 20 0 CAADLO O=C(Cn1ncnn1)NC[C@@H]1C[N@@H+](CCO)CCO1 ZINC001482193102 892642965 /nfs/dbraw/zinc/64/29/65/892642965.db2.gz SHDYRUDCNDJCRM-SECBINFHSA-N 1 2 270.293 -2.518 20 0 CAADLO NC(=O)C(=O)NC[C@H]1C[N@H+](CCn2cncn2)CCO1 ZINC001482199922 892643401 /nfs/dbraw/zinc/64/34/01/892643401.db2.gz UIGWIIAAABCSQI-VIFPVBQESA-N 1 2 282.304 -2.420 20 0 CAADLO NC(=O)C(=O)NC[C@H]1C[N@@H+](CCn2cncn2)CCO1 ZINC001482199922 892643406 /nfs/dbraw/zinc/64/34/06/892643406.db2.gz UIGWIIAAABCSQI-VIFPVBQESA-N 1 2 282.304 -2.420 20 0 CAADLO COC[C@@H](OC)C(=O)NC[C@H]1C[N@H+](CCO)CCO1 ZINC001482199728 892643558 /nfs/dbraw/zinc/64/35/58/892643558.db2.gz NHJCWUXFLZBOKN-WDEREUQCSA-N 1 2 276.333 -1.543 20 0 CAADLO COC[C@@H](OC)C(=O)NC[C@H]1C[N@@H+](CCO)CCO1 ZINC001482199728 892643565 /nfs/dbraw/zinc/64/35/65/892643565.db2.gz NHJCWUXFLZBOKN-WDEREUQCSA-N 1 2 276.333 -1.543 20 0 CAADLO Cc1nnc(C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]2CNC(=O)N2)o1 ZINC001482327926 892645369 /nfs/dbraw/zinc/64/53/69/892645369.db2.gz XQFLBGPWDIEYTD-APPZFPTMSA-N 1 2 296.331 -1.004 20 0 CAADLO Cc1nonc1C[NH2+]C[C@H](C)N(C)C(=O)C(N)=O ZINC001482326417 892646217 /nfs/dbraw/zinc/64/62/17/892646217.db2.gz SCXFGBLIRRMNPY-LURJTMIESA-N 1 2 255.278 -1.200 20 0 CAADLO Cc1nnc(C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]2CNC(=O)N2)o1 ZINC001482327927 892646476 /nfs/dbraw/zinc/64/64/76/892646476.db2.gz XQFLBGPWDIEYTD-CBAPKCEASA-N 1 2 296.331 -1.004 20 0 CAADLO CN(CC[N@H+](C)CC(N)=O)C(=O)C[C@@H]1CCCC(=O)N1 ZINC001482612485 892651390 /nfs/dbraw/zinc/65/13/90/892651390.db2.gz FFUFUEPZWKJHLO-JTQLQIEISA-N 1 2 284.360 -1.079 20 0 CAADLO CN(CC[N@@H+](C)CC(N)=O)C(=O)C[C@@H]1CCCC(=O)N1 ZINC001482612485 892651399 /nfs/dbraw/zinc/65/13/99/892651399.db2.gz FFUFUEPZWKJHLO-JTQLQIEISA-N 1 2 284.360 -1.079 20 0 CAADLO CC(=O)N1CC(C(=O)N(C)CC[N@H+](C)CC(N)=O)C1 ZINC001482591168 892651627 /nfs/dbraw/zinc/65/16/27/892651627.db2.gz CBKZRQACHZOONH-UHFFFAOYSA-N 1 2 270.333 -1.660 20 0 CAADLO CC(=O)N1CC(C(=O)N(C)CC[N@@H+](C)CC(N)=O)C1 ZINC001482591168 892651634 /nfs/dbraw/zinc/65/16/34/892651634.db2.gz CBKZRQACHZOONH-UHFFFAOYSA-N 1 2 270.333 -1.660 20 0 CAADLO CN(CC[N@H+](C)CC(N)=O)C(=O)c1cnn(C)c1 ZINC001482579534 892652712 /nfs/dbraw/zinc/65/27/12/892652712.db2.gz ZFLHKMFEUPBRHL-UHFFFAOYSA-N 1 2 253.306 -1.091 20 0 CAADLO CN(CC[N@@H+](C)CC(N)=O)C(=O)c1cnn(C)c1 ZINC001482579534 892652715 /nfs/dbraw/zinc/65/27/15/892652715.db2.gz ZFLHKMFEUPBRHL-UHFFFAOYSA-N 1 2 253.306 -1.091 20 0 CAADLO C[C@H](C(N)=O)[N@H+](C)CCN(C)C(=O)C(=O)NCC(F)F ZINC001482608956 892652768 /nfs/dbraw/zinc/65/27/68/892652768.db2.gz ZJUKLSUXEVGIRX-SSDOTTSWSA-N 1 2 294.302 -1.368 20 0 CAADLO C[C@H](C(N)=O)[N@@H+](C)CCN(C)C(=O)C(=O)NCC(F)F ZINC001482608956 892652771 /nfs/dbraw/zinc/65/27/71/892652771.db2.gz ZJUKLSUXEVGIRX-SSDOTTSWSA-N 1 2 294.302 -1.368 20 0 CAADLO CNC(=O)C[N@H+](C)CCN(C)C(=O)[C@H]1CCNC(=O)C1 ZINC001482590084 892653185 /nfs/dbraw/zinc/65/31/85/892653185.db2.gz KMCUKWLVFAGQJS-JTQLQIEISA-N 1 2 284.360 -1.351 20 0 CAADLO CNC(=O)C[N@@H+](C)CCN(C)C(=O)[C@H]1CCNC(=O)C1 ZINC001482590084 892653190 /nfs/dbraw/zinc/65/31/90/892653190.db2.gz KMCUKWLVFAGQJS-JTQLQIEISA-N 1 2 284.360 -1.351 20 0 CAADLO CN(CC[N@H+](C)CC(N)=O)C(=O)c1cccn2nnnc12 ZINC001482599529 892654093 /nfs/dbraw/zinc/65/40/93/892654093.db2.gz XJLFRURWFGWNKR-UHFFFAOYSA-N 1 2 291.315 -1.387 20 0 CAADLO CN(CC[N@@H+](C)CC(N)=O)C(=O)c1cccn2nnnc12 ZINC001482599529 892654100 /nfs/dbraw/zinc/65/41/00/892654100.db2.gz XJLFRURWFGWNKR-UHFFFAOYSA-N 1 2 291.315 -1.387 20 0 CAADLO CNC(=O)C[N@H+](C)CCN(C)C(=O)c1ncn(C)n1 ZINC001482594519 892654142 /nfs/dbraw/zinc/65/41/42/892654142.db2.gz ZWVFCFYVPXXKKG-UHFFFAOYSA-N 1 2 268.321 -1.435 20 0 CAADLO CNC(=O)C[N@@H+](C)CCN(C)C(=O)c1ncn(C)n1 ZINC001482594519 892654153 /nfs/dbraw/zinc/65/41/53/892654153.db2.gz ZWVFCFYVPXXKKG-UHFFFAOYSA-N 1 2 268.321 -1.435 20 0 CAADLO CN(CC[N@H+](C)Cc1cncn1C)C(=O)[C@@H]1CNC(=O)N1 ZINC001482623067 892655747 /nfs/dbraw/zinc/65/57/47/892655747.db2.gz PBINRYHJWDLTPY-NSHDSACASA-N 1 2 294.359 -1.008 20 0 CAADLO CN(CC[N@@H+](C)Cc1cncn1C)C(=O)[C@@H]1CNC(=O)N1 ZINC001482623067 892655754 /nfs/dbraw/zinc/65/57/54/892655754.db2.gz PBINRYHJWDLTPY-NSHDSACASA-N 1 2 294.359 -1.008 20 0 CAADLO CN(CC[N@H+](C)Cc1ccn(C)n1)C(=O)[C@@H]1CNC(=O)N1 ZINC001482621788 892655778 /nfs/dbraw/zinc/65/57/78/892655778.db2.gz ASURKBCPMUUDPN-NSHDSACASA-N 1 2 294.359 -1.008 20 0 CAADLO CN(CC[N@@H+](C)Cc1ccn(C)n1)C(=O)[C@@H]1CNC(=O)N1 ZINC001482621788 892655783 /nfs/dbraw/zinc/65/57/83/892655783.db2.gz ASURKBCPMUUDPN-NSHDSACASA-N 1 2 294.359 -1.008 20 0 CAADLO COc1ccc(C(=O)N(C)CC[N@H+](C)CC(N)=O)nn1 ZINC001482641076 892655828 /nfs/dbraw/zinc/65/58/28/892655828.db2.gz LZNFCCDOIKDLJO-UHFFFAOYSA-N 1 2 281.316 -1.026 20 0 CAADLO COc1ccc(C(=O)N(C)CC[N@@H+](C)CC(N)=O)nn1 ZINC001482641076 892655840 /nfs/dbraw/zinc/65/58/40/892655840.db2.gz LZNFCCDOIKDLJO-UHFFFAOYSA-N 1 2 281.316 -1.026 20 0 CAADLO CN(CC[N@H+](C)CC(N)=O)C(=O)CN1C(=O)CCC1=O ZINC001482646898 892655857 /nfs/dbraw/zinc/65/58/57/892655857.db2.gz CZVSAYRALSQRBC-UHFFFAOYSA-N 1 2 284.316 -1.989 20 0 CAADLO CN(CC[N@@H+](C)CC(N)=O)C(=O)CN1C(=O)CCC1=O ZINC001482646898 892655865 /nfs/dbraw/zinc/65/58/65/892655865.db2.gz CZVSAYRALSQRBC-UHFFFAOYSA-N 1 2 284.316 -1.989 20 0 CAADLO CN(CC[N@H+](C)Cc1cncn1C)C(=O)[C@H]1CNC(=O)N1 ZINC001482623065 892657005 /nfs/dbraw/zinc/65/70/05/892657005.db2.gz PBINRYHJWDLTPY-LLVKDONJSA-N 1 2 294.359 -1.008 20 0 CAADLO CN(CC[N@@H+](C)Cc1cncn1C)C(=O)[C@H]1CNC(=O)N1 ZINC001482623065 892657011 /nfs/dbraw/zinc/65/70/11/892657011.db2.gz PBINRYHJWDLTPY-LLVKDONJSA-N 1 2 294.359 -1.008 20 0 CAADLO CC(=O)N[C@H](C)C(=O)NC[C@@H](O)C[NH2+]Cc1nc(C)no1 ZINC001482704673 892659450 /nfs/dbraw/zinc/65/94/50/892659450.db2.gz CRRZKMSEOBCLKW-XCBNKYQSSA-N 1 2 299.331 -1.531 20 0 CAADLO CC(=O)N[C@@H](C)C(=O)NC[C@@H](O)C[NH2+]Cc1nc(C)no1 ZINC001482704674 892660068 /nfs/dbraw/zinc/66/00/68/892660068.db2.gz CRRZKMSEOBCLKW-XVKPBYJWSA-N 1 2 299.331 -1.531 20 0 CAADLO CC(=O)N[C@@H](C)C(=O)NC[C@H](O)C[NH2+]Cc1nc(C)no1 ZINC001482704672 892660497 /nfs/dbraw/zinc/66/04/97/892660497.db2.gz CRRZKMSEOBCLKW-OIBJUYFYSA-N 1 2 299.331 -1.531 20 0 CAADLO CC(=O)NCC(=O)NC[C@@H](O)C[NH2+][C@H](C)c1nc(C)no1 ZINC001482701970 892660944 /nfs/dbraw/zinc/66/09/44/892660944.db2.gz JYXRQGSXSIYKKC-XCBNKYQSSA-N 1 2 299.331 -1.358 20 0 CAADLO CC(=O)N[C@H](C)C(=O)NC[C@@H](O)C[NH2+]Cc1nnc(C)o1 ZINC001482706050 892662791 /nfs/dbraw/zinc/66/27/91/892662791.db2.gz RILDYELHJDJMLC-XCBNKYQSSA-N 1 2 299.331 -1.531 20 0 CAADLO CC(=O)N[C@@H](C)C(=O)NC[C@@H](O)C[NH2+]Cc1nnc(C)o1 ZINC001482706051 892664619 /nfs/dbraw/zinc/66/46/19/892664619.db2.gz RILDYELHJDJMLC-XVKPBYJWSA-N 1 2 299.331 -1.531 20 0 CAADLO Cc1noc(C[NH2+]C[C@H](O)CNC(=O)[C@@H]2COC(=O)N2)n1 ZINC001482725269 892674818 /nfs/dbraw/zinc/67/48/18/892674818.db2.gz UFOGJWHOHQDWCM-YUMQZZPRSA-N 1 2 299.287 -1.947 20 0 CAADLO COc1cc(C[NH2+]C[C@H](O)CNC(=O)c2cn[nH]n2)on1 ZINC001482745715 892686390 /nfs/dbraw/zinc/68/63/90/892686390.db2.gz VSVUZAZJEIWWIN-ZETCQYMHSA-N 1 2 296.287 -1.318 20 0 CAADLO COc1cc(C[NH2+]C[C@H](O)CNC(=O)c2cnn[nH]2)on1 ZINC001482745715 892686395 /nfs/dbraw/zinc/68/63/95/892686395.db2.gz VSVUZAZJEIWWIN-ZETCQYMHSA-N 1 2 296.287 -1.318 20 0 CAADLO O=C(NC[C@@H](O)C[NH2+]Cc1ccon1)c1cn[nH]n1 ZINC001482744819 892686762 /nfs/dbraw/zinc/68/67/62/892686762.db2.gz CYDICBDFZXKBOE-QMMMGPOBSA-N 1 2 266.261 -1.327 20 0 CAADLO O=C(NC[C@@H](O)C[NH2+]Cc1ccon1)c1cnn[nH]1 ZINC001482744819 892686767 /nfs/dbraw/zinc/68/67/67/892686767.db2.gz CYDICBDFZXKBOE-QMMMGPOBSA-N 1 2 266.261 -1.327 20 0 CAADLO COc1cc(C[NH2+]C[C@@H](O)CNC(=O)c2cn[nH]n2)on1 ZINC001482745714 892686779 /nfs/dbraw/zinc/68/67/79/892686779.db2.gz VSVUZAZJEIWWIN-SSDOTTSWSA-N 1 2 296.287 -1.318 20 0 CAADLO COc1cc(C[NH2+]C[C@@H](O)CNC(=O)c2cnn[nH]2)on1 ZINC001482745714 892686783 /nfs/dbraw/zinc/68/67/83/892686783.db2.gz VSVUZAZJEIWWIN-SSDOTTSWSA-N 1 2 296.287 -1.318 20 0 CAADLO Cc1nnc(C[NH2+]C[C@H](O)CNC(=O)[C@H]2CCNC2=O)o1 ZINC001482758164 892688468 /nfs/dbraw/zinc/68/84/68/892688468.db2.gz XPLMVKWKVFDCNJ-IUCAKERBSA-N 1 2 297.315 -1.919 20 0 CAADLO CCc1noc(C[NH2+]C[C@@H](O)CNC(=O)c2cnon2)n1 ZINC001482778958 892697933 /nfs/dbraw/zinc/69/79/33/892697933.db2.gz FULNWDBRSJBAJG-SSDOTTSWSA-N 1 2 296.287 -1.105 20 0 CAADLO Cn1ncc(C[NH2+]C[C@@H](O)CNC(=O)c2nnc[nH]2)n1 ZINC001482779125 892698451 /nfs/dbraw/zinc/69/84/51/892698451.db2.gz WCHZYBUDTLVIRC-MRVPVSSYSA-N 1 2 280.292 -2.186 20 0 CAADLO Cc1nnc(CNC[C@H](O)CNC(=O)C[NH+]2CCCC2)[nH]1 ZINC001482791970 892706835 /nfs/dbraw/zinc/70/68/35/892706835.db2.gz FTOJCUWINLKWQB-NSHDSACASA-N 1 2 296.375 -1.224 20 0 CAADLO CCN(CC[NH2+]Cc1nc(=O)n(C)[nH]1)C(=O)COC ZINC001482907010 892715451 /nfs/dbraw/zinc/71/54/51/892715451.db2.gz PLYZOECFBBWTIP-UHFFFAOYSA-N 1 2 271.321 -1.307 20 0 CAADLO CCN(CC[NH2+][C@@H](C)c1nnnn1C)C(=O)C(N)=O ZINC001482949028 892717331 /nfs/dbraw/zinc/71/73/31/892717331.db2.gz JXAZXIVVWDKPGX-ZETCQYMHSA-N 1 2 269.309 -1.806 20 0 CAADLO CCN(CC[NH2+][C@H](C)C(N)=O)C(=O)Cc1ncn[nH]1 ZINC001482961239 892717348 /nfs/dbraw/zinc/71/73/48/892717348.db2.gz CAWZKOKNDFBKNZ-MRVPVSSYSA-N 1 2 268.321 -1.341 20 0 CAADLO CS(=O)(=O)CC(=O)NC/C=C\C[NH2+]Cc1cnon1 ZINC001482986431 892718122 /nfs/dbraw/zinc/71/81/22/892718122.db2.gz HYDDOCRXALSQOE-IHWYPQMZSA-N 1 2 288.329 -1.124 20 0 CAADLO CNC(=O)NCC(=O)NC/C=C\C[NH2+]Cc1ncnn1C ZINC001483015395 892721478 /nfs/dbraw/zinc/72/14/78/892721478.db2.gz KHJQMELEGKDSCF-ARJAWSKDSA-N 1 2 295.347 -1.494 20 0 CAADLO CCn1ncnc1C[NH2+]C/C=C/CNC(=O)CC(N)=O ZINC001482995422 892723312 /nfs/dbraw/zinc/72/33/12/892723312.db2.gz XCTDYKAPKWOCRT-ONEGZZNKSA-N 1 2 280.332 -1.065 20 0 CAADLO Cn1ncnc1C[NH2+]C/C=C\CNC(=O)Cn1cncn1 ZINC001483091011 892729315 /nfs/dbraw/zinc/72/93/15/892729315.db2.gz IGVUINPSXGSIQI-IHWYPQMZSA-N 1 2 290.331 -1.131 20 0 CAADLO Cc1nnc(C[NH2+]C[C@H](C)NC(=O)[C@H]2CNC(=O)N2)o1 ZINC001483261115 892749335 /nfs/dbraw/zinc/74/93/35/892749335.db2.gz TYHOKXFUXVEFJD-POYBYMJQSA-N 1 2 282.304 -1.346 20 0 CAADLO C[C@@H](C[NH2+]Cc1nc(=O)n(C)[nH]1)NC(=O)Cc1nc[nH]n1 ZINC001483283653 892750896 /nfs/dbraw/zinc/75/08/96/892750896.db2.gz MYSOUEVSHDZVBG-ZETCQYMHSA-N 1 2 294.319 -1.937 20 0 CAADLO C[C@@H](C[NH2+]Cc1nc(=O)n(C)[nH]1)NC(=O)Cc1nnc[nH]1 ZINC001483283653 892750903 /nfs/dbraw/zinc/75/09/03/892750903.db2.gz MYSOUEVSHDZVBG-ZETCQYMHSA-N 1 2 294.319 -1.937 20 0 CAADLO C[C@@H](C[NH2+]Cc1nc(N(C)C)no1)NC(=O)C(N)=O ZINC001483261984 892752711 /nfs/dbraw/zinc/75/27/11/892752711.db2.gz FCGCSAMWPPVAPW-LURJTMIESA-N 1 2 270.293 -1.785 20 0 CAADLO C[C@H](C[N@H+](C)CC(N)=O)NC(=O)C(=O)NCC(F)F ZINC001483358333 892759303 /nfs/dbraw/zinc/75/93/03/892759303.db2.gz XADOOFLXMNTFIA-ZCFIWIBFSA-N 1 2 280.275 -1.711 20 0 CAADLO C[C@H](C[N@@H+](C)CC(N)=O)NC(=O)C(=O)NCC(F)F ZINC001483358333 892759314 /nfs/dbraw/zinc/75/93/14/892759314.db2.gz XADOOFLXMNTFIA-ZCFIWIBFSA-N 1 2 280.275 -1.711 20 0 CAADLO CCS(=O)(=O)CCC[N@H+](C)C[C@@H](C)NC(=O)C(N)=O ZINC001483381536 892759875 /nfs/dbraw/zinc/75/98/75/892759875.db2.gz LBMLEQYVWUMHIL-SECBINFHSA-N 1 2 293.389 -1.267 20 0 CAADLO CCS(=O)(=O)CCC[N@@H+](C)C[C@@H](C)NC(=O)C(N)=O ZINC001483381536 892759885 /nfs/dbraw/zinc/75/98/85/892759885.db2.gz LBMLEQYVWUMHIL-SECBINFHSA-N 1 2 293.389 -1.267 20 0 CAADLO C[C@H](C[N@H+](C)Cc1nc(=O)n(C)[nH]1)NC(=O)c1cnon1 ZINC001483397083 892761049 /nfs/dbraw/zinc/76/10/49/892761049.db2.gz GFTPQSWKHKJNQM-SSDOTTSWSA-N 1 2 295.303 -1.258 20 0 CAADLO C[C@H](C[N@@H+](C)Cc1nc(=O)n(C)[nH]1)NC(=O)c1cnon1 ZINC001483397083 892761060 /nfs/dbraw/zinc/76/10/60/892761060.db2.gz GFTPQSWKHKJNQM-SSDOTTSWSA-N 1 2 295.303 -1.258 20 0 CAADLO C[C@H](C[N@H+](C)[C@H](C)C(N)=O)NC(=O)Cc1nnc[nH]1 ZINC001483406047 892761752 /nfs/dbraw/zinc/76/17/52/892761752.db2.gz PTUDMHGIOONUGC-HTQZYQBOSA-N 1 2 268.321 -1.343 20 0 CAADLO C[C@H](C[N@@H+](C)[C@H](C)C(N)=O)NC(=O)Cc1nnc[nH]1 ZINC001483406047 892761759 /nfs/dbraw/zinc/76/17/59/892761759.db2.gz PTUDMHGIOONUGC-HTQZYQBOSA-N 1 2 268.321 -1.343 20 0 CAADLO C[C@H](NC(N)=O)C(=O)N(C)CCC[NH2+]Cc1nnn(C)n1 ZINC001483461701 892765641 /nfs/dbraw/zinc/76/56/41/892765641.db2.gz KXOAHJIJZJQVIW-QMMMGPOBSA-N 1 2 298.351 -1.795 20 0 CAADLO CN(CCC[NH2+]Cc1nnn(C)n1)C(=O)c1ncn(C)n1 ZINC001483464600 892765735 /nfs/dbraw/zinc/76/57/35/892765735.db2.gz IZVLAOCMUDKFJX-UHFFFAOYSA-N 1 2 293.335 -1.410 20 0 CAADLO Cn1nnc(C[NH2+]C[C@H](NC(=O)CC(N)=O)C2CC2)n1 ZINC001483548653 892769687 /nfs/dbraw/zinc/76/96/87/892769687.db2.gz OXVWHVGMVFGZRW-QMMMGPOBSA-N 1 2 281.320 -1.930 20 0 CAADLO COCc1noc(C[NH2+]C[C@@H](NC(=O)C(N)=O)C2CC2)n1 ZINC001483582523 892770322 /nfs/dbraw/zinc/77/03/22/892770322.db2.gz CTRUKOXUKQIXFR-MRVPVSSYSA-N 1 2 297.315 -1.314 20 0 CAADLO Cc1noc(C[NH2+]C[C@H](NC(=O)C(N)=O)C2CC2)n1 ZINC001483584205 892770828 /nfs/dbraw/zinc/77/08/28/892770828.db2.gz UPSDXVQOGOSTHU-QMMMGPOBSA-N 1 2 267.289 -1.152 20 0 CAADLO COCc1noc(C[NH2+]C[C@H](NC(=O)C(N)=O)C2CC2)n1 ZINC001483582524 892771011 /nfs/dbraw/zinc/77/10/11/892771011.db2.gz CTRUKOXUKQIXFR-QMMMGPOBSA-N 1 2 297.315 -1.314 20 0 CAADLO CCC(=O)NCC(=O)NC[C@H]1CC[N@@H+]1[C@H]1CCCNC1=O ZINC001483640469 892773109 /nfs/dbraw/zinc/77/31/09/892773109.db2.gz QPJFAROPYPFFFY-MNOVXSKESA-N 1 2 296.371 -1.018 20 0 CAADLO CCC(=O)NCC(=O)NC[C@H]1CC[N@H+]1[C@H]1CCCNC1=O ZINC001483640469 892773118 /nfs/dbraw/zinc/77/31/18/892773118.db2.gz QPJFAROPYPFFFY-MNOVXSKESA-N 1 2 296.371 -1.018 20 0 CAADLO COC(=O)NCC(=O)NC[C@H]1CC[N@@H+]1[C@H]1CCCNC1=O ZINC001483634327 892773478 /nfs/dbraw/zinc/77/34/78/892773478.db2.gz ROKLSSAOKVGSRO-ZJUUUORDSA-N 1 2 298.343 -1.189 20 0 CAADLO COC(=O)NCC(=O)NC[C@H]1CC[N@H+]1[C@H]1CCCNC1=O ZINC001483634327 892773490 /nfs/dbraw/zinc/77/34/90/892773490.db2.gz ROKLSSAOKVGSRO-ZJUUUORDSA-N 1 2 298.343 -1.189 20 0 CAADLO O=C(CN1CCCC1=O)NC[C@H]1CC[N@@H+]1[C@H]1CCNC1=O ZINC001483630435 892773628 /nfs/dbraw/zinc/77/36/28/892773628.db2.gz XAROSDYNUKXZIA-MNOVXSKESA-N 1 2 294.355 -1.312 20 0 CAADLO O=C(CN1CCCC1=O)NC[C@H]1CC[N@H+]1[C@H]1CCNC1=O ZINC001483630435 892773640 /nfs/dbraw/zinc/77/36/40/892773640.db2.gz XAROSDYNUKXZIA-MNOVXSKESA-N 1 2 294.355 -1.312 20 0 CAADLO O=C(CN1CCCC1=O)NC[C@@H]1CC[N@@H+]1[C@@H]1CCNC1=O ZINC001483630437 892774022 /nfs/dbraw/zinc/77/40/22/892774022.db2.gz XAROSDYNUKXZIA-WDEREUQCSA-N 1 2 294.355 -1.312 20 0 CAADLO O=C(CN1CCCC1=O)NC[C@@H]1CC[N@H+]1[C@@H]1CCNC1=O ZINC001483630437 892774031 /nfs/dbraw/zinc/77/40/31/892774031.db2.gz XAROSDYNUKXZIA-WDEREUQCSA-N 1 2 294.355 -1.312 20 0 CAADLO O=C(Cn1cccn1)NC[C@@H]1CC[N@@H+]1[C@@H]1CCNC1=O ZINC001483630022 892774504 /nfs/dbraw/zinc/77/45/04/892774504.db2.gz SEDYTQLBRKTGNI-WDEREUQCSA-N 1 2 277.328 -1.038 20 0 CAADLO O=C(Cn1cccn1)NC[C@@H]1CC[N@H+]1[C@@H]1CCNC1=O ZINC001483630022 892774513 /nfs/dbraw/zinc/77/45/13/892774513.db2.gz SEDYTQLBRKTGNI-WDEREUQCSA-N 1 2 277.328 -1.038 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+]1CC[C@H]1CNC(=O)CCn1cncn1 ZINC001483628614 892775148 /nfs/dbraw/zinc/77/51/48/892775148.db2.gz FVXMREWZYWGBBN-MNOVXSKESA-N 1 2 294.359 -1.007 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+]1CC[C@H]1CNC(=O)CCn1cncn1 ZINC001483628614 892775154 /nfs/dbraw/zinc/77/51/54/892775154.db2.gz FVXMREWZYWGBBN-MNOVXSKESA-N 1 2 294.359 -1.007 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CC[C@@H]1CNC(=O)Cn1ncn(C)c1=O ZINC001483662187 892777043 /nfs/dbraw/zinc/77/70/43/892777043.db2.gz RIPQKAYRZFOWJU-DTWKUNHWSA-N 1 2 296.331 -2.354 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CC[C@@H]1CNC(=O)Cn1ncn(C)c1=O ZINC001483662187 892777051 /nfs/dbraw/zinc/77/70/51/892777051.db2.gz RIPQKAYRZFOWJU-DTWKUNHWSA-N 1 2 296.331 -2.354 20 0 CAADLO CNC(=O)NCCC(=O)NC[C@@H]1CC[N@@H+]1[C@@H]1CCNC1=O ZINC001483648306 892777538 /nfs/dbraw/zinc/77/75/38/892777538.db2.gz RTCZDXRWYBKRFH-VHSXEESVSA-N 1 2 297.359 -1.616 20 0 CAADLO CNC(=O)NCCC(=O)NC[C@@H]1CC[N@H+]1[C@@H]1CCNC1=O ZINC001483648306 892777547 /nfs/dbraw/zinc/77/75/47/892777547.db2.gz RTCZDXRWYBKRFH-VHSXEESVSA-N 1 2 297.359 -1.616 20 0 CAADLO CNC(=O)NCCC(=O)NC[C@H]1CC[N@@H+]1[C@@H]1CCNC1=O ZINC001483648302 892777898 /nfs/dbraw/zinc/77/78/98/892777898.db2.gz RTCZDXRWYBKRFH-NXEZZACHSA-N 1 2 297.359 -1.616 20 0 CAADLO CNC(=O)NCCC(=O)NC[C@H]1CC[N@H+]1[C@@H]1CCNC1=O ZINC001483648302 892777903 /nfs/dbraw/zinc/77/79/03/892777903.db2.gz RTCZDXRWYBKRFH-NXEZZACHSA-N 1 2 297.359 -1.616 20 0 CAADLO CNC(=O)NCC(=O)NC[C@@H]1CC[N@@H+]1CC(=O)N(C)C ZINC001483655221 892779003 /nfs/dbraw/zinc/77/90/03/892779003.db2.gz DFUVZHGWLXVUGA-VIFPVBQESA-N 1 2 285.348 -1.806 20 0 CAADLO CNC(=O)NCC(=O)NC[C@@H]1CC[N@H+]1CC(=O)N(C)C ZINC001483655221 892779011 /nfs/dbraw/zinc/77/90/11/892779011.db2.gz DFUVZHGWLXVUGA-VIFPVBQESA-N 1 2 285.348 -1.806 20 0 CAADLO CNC(=O)NCCC(=O)NC[C@@H]1CC[N@@H+]1[C@H]1CCNC1=O ZINC001483648304 892779138 /nfs/dbraw/zinc/77/91/38/892779138.db2.gz RTCZDXRWYBKRFH-UWVGGRQHSA-N 1 2 297.359 -1.616 20 0 CAADLO CNC(=O)NCCC(=O)NC[C@@H]1CC[N@H+]1[C@H]1CCNC1=O ZINC001483648304 892779141 /nfs/dbraw/zinc/77/91/41/892779141.db2.gz RTCZDXRWYBKRFH-UWVGGRQHSA-N 1 2 297.359 -1.616 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CC[C@H]1CNC(=O)Cn1ncn(C)c1=O ZINC001483662188 892779550 /nfs/dbraw/zinc/77/95/50/892779550.db2.gz RIPQKAYRZFOWJU-IUCAKERBSA-N 1 2 296.331 -2.354 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CC[C@H]1CNC(=O)Cn1ncn(C)c1=O ZINC001483662188 892779555 /nfs/dbraw/zinc/77/95/55/892779555.db2.gz RIPQKAYRZFOWJU-IUCAKERBSA-N 1 2 296.331 -2.354 20 0 CAADLO CNC(=O)NCC(=O)NC[C@H]1CC[N@@H+]1CC(=O)N(C)C ZINC001483655219 892779599 /nfs/dbraw/zinc/77/95/99/892779599.db2.gz DFUVZHGWLXVUGA-SECBINFHSA-N 1 2 285.348 -1.806 20 0 CAADLO CNC(=O)NCC(=O)NC[C@H]1CC[N@H+]1CC(=O)N(C)C ZINC001483655219 892779605 /nfs/dbraw/zinc/77/96/05/892779605.db2.gz DFUVZHGWLXVUGA-SECBINFHSA-N 1 2 285.348 -1.806 20 0 CAADLO C[C@H](C(=O)N(C)C)[N@@H+]1CC[C@@H]1CNC(=O)Cn1cncn1 ZINC001483701513 892781781 /nfs/dbraw/zinc/78/17/81/892781781.db2.gz IKQIZFMTTCZDHK-GHMZBOCLSA-N 1 2 294.359 -1.055 20 0 CAADLO C[C@H](C(=O)N(C)C)[N@H+]1CC[C@@H]1CNC(=O)Cn1cncn1 ZINC001483701513 892781783 /nfs/dbraw/zinc/78/17/83/892781783.db2.gz IKQIZFMTTCZDHK-GHMZBOCLSA-N 1 2 294.359 -1.055 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+]1CC[C@@H]1CNC(=O)C1(C(=O)NC)CC1 ZINC001483688366 892781907 /nfs/dbraw/zinc/78/19/07/892781907.db2.gz OQNIYKZEAIGYDG-NXEZZACHSA-N 1 2 296.371 -1.162 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+]1CC[C@@H]1CNC(=O)C1(C(=O)NC)CC1 ZINC001483688366 892781910 /nfs/dbraw/zinc/78/19/10/892781910.db2.gz OQNIYKZEAIGYDG-NXEZZACHSA-N 1 2 296.371 -1.162 20 0 CAADLO Cn1cnnc1C[NH2+]C1(CNC(=O)c2cnnn2C)CC1 ZINC001483730993 892785753 /nfs/dbraw/zinc/78/57/53/892785753.db2.gz HLESOSPMECCGJI-UHFFFAOYSA-N 1 2 290.331 -1.004 20 0 CAADLO C[C@H]([NH2+]C1(CNC(=O)CC(N)=O)CC1)c1nnnn1C ZINC001483722677 892786663 /nfs/dbraw/zinc/78/66/63/892786663.db2.gz OUHBTBUYXJAPNL-ZETCQYMHSA-N 1 2 281.320 -1.615 20 0 CAADLO CN(C(=O)CC(N)=O)C1C[NH+](CCOCCO)C1 ZINC001483857881 892791832 /nfs/dbraw/zinc/79/18/32/892791832.db2.gz OYHKIUZHAUSQDS-UHFFFAOYSA-N 1 2 259.306 -1.987 20 0 CAADLO CCOCC[NH+]1CC(N(C)C(=O)Cn2cnnn2)C1 ZINC001483852854 892791928 /nfs/dbraw/zinc/79/19/28/892791928.db2.gz JNXIRDYXGSXOHN-UHFFFAOYSA-N 1 2 268.321 -1.148 20 0 CAADLO CN(C(=O)Cc1[nH]cc[nH+]1)C1CN(CC(=O)NC(N)=O)C1 ZINC001483884898 892792292 /nfs/dbraw/zinc/79/22/92/892792292.db2.gz CKRSDPJEQBFIBX-UHFFFAOYSA-N 1 2 294.315 -1.710 20 0 CAADLO COC[C@H](O)C[NH+]1CC(N(C)C(=O)[C@@]2(C)CCNC2=O)C1 ZINC001483879567 892792487 /nfs/dbraw/zinc/79/24/87/892792487.db2.gz KCIGXBXHLGRKJT-RISCZKNCSA-N 1 2 299.371 -1.338 20 0 CAADLO COC[C@H](O)C[NH+]1CC(N(C)C(=O)[C@]2(C)CCNC2=O)C1 ZINC001483879566 892792886 /nfs/dbraw/zinc/79/28/86/892792886.db2.gz KCIGXBXHLGRKJT-BXUZGUMPSA-N 1 2 299.371 -1.338 20 0 CAADLO COC[C@H](O)C[NH+]1CC(N(C)C(=O)CCc2nnc[nH]2)C1 ZINC001483858846 892793111 /nfs/dbraw/zinc/79/31/11/892793111.db2.gz JJOIKCFDBIGCDN-LLVKDONJSA-N 1 2 297.359 -1.113 20 0 CAADLO CCOCC[NH+]1CC(N(C)C(=O)Cn2ncnn2)C1 ZINC001483864767 892793936 /nfs/dbraw/zinc/79/39/36/892793936.db2.gz OOTUGWJKLTXUMU-UHFFFAOYSA-N 1 2 268.321 -1.148 20 0 CAADLO Cn1[nH]c(C[N@@H+]2CC[C@@](C)(NC(=O)CC(N)=O)C2)nc1=O ZINC001484036360 892795509 /nfs/dbraw/zinc/79/55/09/892795509.db2.gz JHDXVWKMTQHGAZ-GFCCVEGCSA-N 1 2 296.331 -1.936 20 0 CAADLO Cn1[nH]c(C[N@H+]2CC[C@@](C)(NC(=O)CC(N)=O)C2)nc1=O ZINC001484036360 892795517 /nfs/dbraw/zinc/79/55/17/892795517.db2.gz JHDXVWKMTQHGAZ-GFCCVEGCSA-N 1 2 296.331 -1.936 20 0 CAADLO CO[C@H](C)C(=O)N[C@@]1(C)CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001484031422 892797620 /nfs/dbraw/zinc/79/76/20/892797620.db2.gz DCLMCXGGGAHCRD-PELKAZGASA-N 1 2 286.332 -1.203 20 0 CAADLO CO[C@H](C)C(=O)N[C@@]1(C)CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001484031422 892797627 /nfs/dbraw/zinc/79/76/27/892797627.db2.gz DCLMCXGGGAHCRD-PELKAZGASA-N 1 2 286.332 -1.203 20 0 CAADLO C[C@@H](c1nnnn1C)[NH+]1CCC(C)(NC(=O)C(N)=O)CC1 ZINC001483973174 892797662 /nfs/dbraw/zinc/79/76/62/892797662.db2.gz UCUITDTWCWOTSJ-QMMMGPOBSA-N 1 2 295.347 -1.273 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CC[C@@](C)(NC(=O)C(=O)NCC2CC2)C1 ZINC001484063439 892799198 /nfs/dbraw/zinc/79/91/98/892799198.db2.gz ROFOMBKLJMGRLK-LKFCYVNXSA-N 1 2 296.371 -1.033 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CC[C@@](C)(NC(=O)C(=O)NCC2CC2)C1 ZINC001484063439 892799200 /nfs/dbraw/zinc/79/92/00/892799200.db2.gz ROFOMBKLJMGRLK-LKFCYVNXSA-N 1 2 296.371 -1.033 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CC[C@@](C)(NC(=O)Cc2nnc[nH]2)C1 ZINC001484065331 892799494 /nfs/dbraw/zinc/79/94/94/892799494.db2.gz UNROYIKWGRBAHW-QPUJVOFHSA-N 1 2 280.332 -1.198 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CC[C@@](C)(NC(=O)Cc2nnc[nH]2)C1 ZINC001484065331 892799499 /nfs/dbraw/zinc/79/94/99/892799499.db2.gz UNROYIKWGRBAHW-QPUJVOFHSA-N 1 2 280.332 -1.198 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CC[C@](C)(NC(=O)Cc2nnc[nH]2)C1 ZINC001484065333 892799532 /nfs/dbraw/zinc/79/95/32/892799532.db2.gz UNROYIKWGRBAHW-UFBFGSQYSA-N 1 2 280.332 -1.198 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CC[C@](C)(NC(=O)Cc2nnc[nH]2)C1 ZINC001484065333 892799538 /nfs/dbraw/zinc/79/95/38/892799538.db2.gz UNROYIKWGRBAHW-UFBFGSQYSA-N 1 2 280.332 -1.198 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CC[C@](C)(NC(=O)Cc2nnc[nH]2)C1 ZINC001484065328 892799866 /nfs/dbraw/zinc/79/98/66/892799866.db2.gz UNROYIKWGRBAHW-PELKAZGASA-N 1 2 280.332 -1.198 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CC[C@](C)(NC(=O)Cc2nnc[nH]2)C1 ZINC001484065328 892799863 /nfs/dbraw/zinc/79/98/63/892799863.db2.gz UNROYIKWGRBAHW-PELKAZGASA-N 1 2 280.332 -1.198 20 0 CAADLO Cc1nonc1C[NH2+]C1(CNC(=O)C(N)=O)CCOCC1 ZINC001484188160 892803127 /nfs/dbraw/zinc/80/31/27/892803127.db2.gz SWUMNYMOLZHYNZ-UHFFFAOYSA-N 1 2 297.315 -1.382 20 0 CAADLO CCCC(=O)NC[C@@]1(O)CC[N@H+](Cc2nc(=O)n(C)[nH]2)C1 ZINC001484199964 892804474 /nfs/dbraw/zinc/80/44/74/892804474.db2.gz IEGPXKSYVPLDSV-ZDUSSCGKSA-N 1 2 297.359 -1.039 20 0 CAADLO CCCC(=O)NC[C@@]1(O)CC[N@@H+](Cc2nc(=O)n(C)[nH]2)C1 ZINC001484199964 892804494 /nfs/dbraw/zinc/80/44/94/892804494.db2.gz IEGPXKSYVPLDSV-ZDUSSCGKSA-N 1 2 297.359 -1.039 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)c2cnsn2)C1 ZINC001484204643 892805678 /nfs/dbraw/zinc/80/56/78/892805678.db2.gz AUGIPUNHCTXMRX-JTQLQIEISA-N 1 2 285.329 -1.810 20 0 CAADLO NC(=O)C[N@H+]1CC[C@](O)(CNC(=O)c2cnsn2)C1 ZINC001484204643 892805702 /nfs/dbraw/zinc/80/57/02/892805702.db2.gz AUGIPUNHCTXMRX-JTQLQIEISA-N 1 2 285.329 -1.810 20 0 CAADLO C[C@H](F)CC[NH+]1CC(O)(CNC(=O)Cn2cnnn2)C1 ZINC001484257255 892827470 /nfs/dbraw/zinc/82/74/70/892827470.db2.gz JKMCNVVUDFNLPF-VIFPVBQESA-N 1 2 286.311 -1.416 20 0 CAADLO CCO[C@H](C)C(=O)NCC1(O)C[NH+](CCCO)C1 ZINC001484260818 892827527 /nfs/dbraw/zinc/82/75/27/892827527.db2.gz SMFLGRSMQQOYMT-SNVBAGLBSA-N 1 2 260.334 -1.043 20 0 CAADLO COC[C@H](C)[NH+]1CC(O)(CNC(=O)CCn2cncn2)C1 ZINC001484259567 892829798 /nfs/dbraw/zinc/82/97/98/892829798.db2.gz GJZXOBYPKYALBU-NSHDSACASA-N 1 2 297.359 -1.134 20 0 CAADLO C[C@@H](O)C[NH+]1CC(O)(CNC(=O)CNC(=O)C2CC2)C1 ZINC001484261723 892830550 /nfs/dbraw/zinc/83/05/50/892830550.db2.gz XOOMALFMYAXTKU-SECBINFHSA-N 1 2 285.344 -1.944 20 0 CAADLO CCOCC[NH+]1CC(O)(CNC(=O)[C@H]2CCC(=O)N2)C1 ZINC001484263395 892832689 /nfs/dbraw/zinc/83/26/89/892832689.db2.gz XXRGAHHRUFAGTL-SNVBAGLBSA-N 1 2 285.344 -1.536 20 0 CAADLO COC[C@H](C)[NH+]1CC(O)(CNC(=O)CC(N)=O)C1 ZINC001484265152 892832737 /nfs/dbraw/zinc/83/27/37/892832737.db2.gz KFJMIVIMZWEWJN-QMMMGPOBSA-N 1 2 259.306 -1.940 20 0 CAADLO CO[C@@H](C)C[NH+]1CC(O)(CNC(=O)c2nnn(C)c2C)C1 ZINC001484264767 892833011 /nfs/dbraw/zinc/83/30/11/892833011.db2.gz FIEXUTFOICULJW-VIFPVBQESA-N 1 2 297.359 -1.065 20 0 CAADLO CO[C@H](C)C[NH+]1CC(O)(CNC(=O)c2nnn(C)c2C)C1 ZINC001484264766 892833361 /nfs/dbraw/zinc/83/33/61/892833361.db2.gz FIEXUTFOICULJW-SECBINFHSA-N 1 2 297.359 -1.065 20 0 CAADLO CCOCC[NH+]1CC(O)(CNC(=O)Cn2ncnn2)C1 ZINC001484273926 892835179 /nfs/dbraw/zinc/83/51/79/892835179.db2.gz VQVMRVYZJFCJDT-UHFFFAOYSA-N 1 2 284.320 -2.128 20 0 CAADLO C[C@H](O)C[NH+]1CC(O)(CNC(=O)c2cn3c(n2)CCC3)C1 ZINC001484274036 892835697 /nfs/dbraw/zinc/83/56/97/892835697.db2.gz XHFRWFKXJZWKTO-JTQLQIEISA-N 1 2 294.355 -1.013 20 0 CAADLO CO[C@H](C)C[NH+]1CC(O)(CNC(=O)[C@H]2COC(=O)N2)C1 ZINC001484271707 892836473 /nfs/dbraw/zinc/83/64/73/892836473.db2.gz TUFFIQZWNMFPHT-RKDXNWHRSA-N 1 2 287.316 -1.707 20 0 CAADLO CC[NH+]1CC(O)(CNC(=O)CO[C@H]2CCOC2)C1 ZINC001484272638 892836838 /nfs/dbraw/zinc/83/68/38/892836838.db2.gz QOFZTDFCIGOHHL-JTQLQIEISA-N 1 2 258.318 -1.025 20 0 CAADLO CCOCCC[NH+]1CC(O)(CNC(=O)Cn2ncnn2)C1 ZINC001484273396 892837720 /nfs/dbraw/zinc/83/77/20/892837720.db2.gz BKHNKKSAEZSYNZ-UHFFFAOYSA-N 1 2 298.347 -1.737 20 0 CAADLO CO[C@H](C)C[NH+]1CC(O)(CNC(=O)[C@@H]2COC(=O)N2)C1 ZINC001484271704 892837889 /nfs/dbraw/zinc/83/78/89/892837889.db2.gz TUFFIQZWNMFPHT-BDAKNGLRSA-N 1 2 287.316 -1.707 20 0 CAADLO CC[NH+]1CC(O)(CNC(=O)CCNC(=O)COC)C1 ZINC001484276204 892838962 /nfs/dbraw/zinc/83/89/62/892838962.db2.gz OKTPZGDIUAGENJ-UHFFFAOYSA-N 1 2 273.333 -1.678 20 0 CAADLO CCN1C[C@@H](C(=O)NCC2(O)C[NH+](C[C@@H](C)O)C2)CC1=O ZINC001484276393 892839344 /nfs/dbraw/zinc/83/93/44/892839344.db2.gz SAVPHMRAMFGZKI-MNOVXSKESA-N 1 2 299.371 -1.602 20 0 CAADLO C[C@H](C(N)=O)N1CC(O)(CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001484276429 892839430 /nfs/dbraw/zinc/83/94/30/892839430.db2.gz PAKLGOYKJUGXMG-SECBINFHSA-N 1 2 295.343 -1.621 20 0 CAADLO C[C@H](C(N)=O)N1CC(O)(CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001484276429 892839439 /nfs/dbraw/zinc/83/94/39/892839439.db2.gz PAKLGOYKJUGXMG-SECBINFHSA-N 1 2 295.343 -1.621 20 0 CAADLO CN1C[C@@H](C(=O)NCC2(O)C[NH+](CCCF)C2)CC1=O ZINC001484275769 892839508 /nfs/dbraw/zinc/83/95/08/892839508.db2.gz HPXCRTUQYNKFBL-JTQLQIEISA-N 1 2 287.335 -1.013 20 0 CAADLO CC[NH+]1CC(O)(CNC(=O)[C@H]2CCCNC2=O)C1 ZINC001484277365 892839579 /nfs/dbraw/zinc/83/95/79/892839579.db2.gz DYCYSMZAJXOUJG-VIFPVBQESA-N 1 2 255.318 -1.305 20 0 CAADLO C[C@@H](C(N)=O)N1CC(O)(CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001484276430 892839717 /nfs/dbraw/zinc/83/97/17/892839717.db2.gz PAKLGOYKJUGXMG-VIFPVBQESA-N 1 2 295.343 -1.621 20 0 CAADLO C[C@@H](C(N)=O)N1CC(O)(CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001484276430 892839726 /nfs/dbraw/zinc/83/97/26/892839726.db2.gz PAKLGOYKJUGXMG-VIFPVBQESA-N 1 2 295.343 -1.621 20 0 CAADLO C[C@H](O)C[NH+]1CC(O)(CNC(=O)[C@@H]2CCN(C)C(=O)C2)C1 ZINC001484280150 892840415 /nfs/dbraw/zinc/84/04/15/892840415.db2.gz QLFVDIJSQZLEEZ-WDEREUQCSA-N 1 2 299.371 -1.602 20 0 CAADLO C[C@H](O)C[NH+]1CC(O)(CNC(=O)[C@H]2CCN(C)C(=O)C2)C1 ZINC001484280149 892840483 /nfs/dbraw/zinc/84/04/83/892840483.db2.gz QLFVDIJSQZLEEZ-QWRGUYRKSA-N 1 2 299.371 -1.602 20 0 CAADLO CCN1C[C@@H](C(=O)NCC2(O)C[NH+](CCCO)C2)CC1=O ZINC001484276569 892841047 /nfs/dbraw/zinc/84/10/47/892841047.db2.gz UWNYOURCKCYDIA-NSHDSACASA-N 1 2 299.371 -1.600 20 0 CAADLO COc1cnc(C(=O)NCC2(O)C[NH+](C[C@H](C)O)C2)nc1 ZINC001484283078 892841305 /nfs/dbraw/zinc/84/13/05/892841305.db2.gz FBXFBXKHWTZWLI-VIFPVBQESA-N 1 2 296.327 -1.358 20 0 CAADLO C[C@H](O)C[NH+]1CC(O)(CNC(=O)C(C)(C)C(N)=O)C1 ZINC001484278045 892841325 /nfs/dbraw/zinc/84/13/25/892841325.db2.gz HLXDJNFGYZWQIT-QMMMGPOBSA-N 1 2 273.333 -1.958 20 0 CAADLO CCN1CCOC[C@@H]1C(=O)NCC1(O)C[NH+](CC)C1 ZINC001484280956 892841399 /nfs/dbraw/zinc/84/13/99/892841399.db2.gz MMVKFDIQTMQPSM-LLVKDONJSA-N 1 2 271.361 -1.110 20 0 CAADLO C[C@H](O)C[NH+]1CC(O)(CNC(=O)CN(C)C(=O)C2CC2)C1 ZINC001484276373 892841632 /nfs/dbraw/zinc/84/16/32/892841632.db2.gz RGNDGFVCOIKIBL-JTQLQIEISA-N 1 2 299.371 -1.602 20 0 CAADLO O=C(NCC1(O)C[NH+](CCCO)C1)[C@@H]1CNC(=O)N1 ZINC001484291478 892842622 /nfs/dbraw/zinc/84/26/22/892842622.db2.gz ANZASQNLSGFZCJ-QMMMGPOBSA-N 1 2 272.305 -2.787 20 0 CAADLO CO[C@@H](C)C[NH+]1CC(O)(CNC(=O)C2(C(N)=O)CC2)C1 ZINC001484292159 892842821 /nfs/dbraw/zinc/84/28/21/892842821.db2.gz OXQKKINWWVKXOJ-VIFPVBQESA-N 1 2 285.344 -1.550 20 0 CAADLO O=C(NCC1(O)C[NH+](CCCF)C1)c1c[nH]c(=O)cn1 ZINC001484291945 892842955 /nfs/dbraw/zinc/84/29/55/892842955.db2.gz ZCDKLGJCIDVKJQ-UHFFFAOYSA-N 1 2 284.291 -1.094 20 0 CAADLO C[C@H](O)C[NH+]1CC(O)(CNC(=O)[C@@]2(C)CCC(=O)NC2)C1 ZINC001484290198 892843844 /nfs/dbraw/zinc/84/38/44/892843844.db2.gz BYUBXPNKEYUSTF-GWCFXTLKSA-N 1 2 299.371 -1.554 20 0 CAADLO Cc1n[nH]cc1C(=O)NCC1(O)C[NH+](C[C@@H](C)O)C1 ZINC001484287605 892844893 /nfs/dbraw/zinc/84/48/93/892844893.db2.gz SNNLAMIUBZPFIK-MRVPVSSYSA-N 1 2 268.317 -1.125 20 0 CAADLO Cc1nn[nH]c1C(=O)NCC1(O)C[NH+](C[C@H](C)O)C1 ZINC001484287762 892845580 /nfs/dbraw/zinc/84/55/80/892845580.db2.gz YUVJNKJCNGOGEG-ZETCQYMHSA-N 1 2 269.305 -1.730 20 0 CAADLO C[C@@H](O)C[NH+]1CC(O)(CNC(=O)[C@]2(C)CCC(=O)NC2)C1 ZINC001484290201 892845839 /nfs/dbraw/zinc/84/58/39/892845839.db2.gz BYUBXPNKEYUSTF-ZWNOBZJWSA-N 1 2 299.371 -1.554 20 0 CAADLO CCOCC[NH+]1CC(O)(CNC(=O)[C@@H](C)CC(N)=O)C1 ZINC001484288263 892846289 /nfs/dbraw/zinc/84/62/89/892846289.db2.gz QFLVHCAIRDUIKZ-JTQLQIEISA-N 1 2 287.360 -1.303 20 0 CAADLO C[C@H](CC(=O)NCC1(O)CN(CCO)C1)n1cc[nH+]c1 ZINC001484298313 892846841 /nfs/dbraw/zinc/84/68/41/892846841.db2.gz ZDSXUIHYXZWIPN-LLVKDONJSA-N 1 2 282.344 -1.011 20 0 CAADLO CC[NH+]1CC(O)(CNC(=O)CCn2cc[nH]c(=O)c2=O)C1 ZINC001484299613 892847787 /nfs/dbraw/zinc/84/77/87/892847787.db2.gz FLKPIDHHVZEYMQ-UHFFFAOYSA-N 1 2 296.327 -1.891 20 0 CAADLO CC[NH+]1CC(O)(CNC(=O)[C@H](C)NS(C)(=O)=O)C1 ZINC001484297292 892848574 /nfs/dbraw/zinc/84/85/74/892848574.db2.gz HNYIVRPVZWMJSS-QMMMGPOBSA-N 1 2 279.362 -1.893 20 0 CAADLO C[C@H](O)C[NH+]1CC(O)(CNC(=O)[C@@]2(C)CCOC2)C1 ZINC001484304778 892848640 /nfs/dbraw/zinc/84/86/40/892848640.db2.gz ZFMJEWVITPSPHV-JQWIXIFHSA-N 1 2 272.345 -1.043 20 0 CAADLO O=C(CCc1ncccn1)NCC1(O)C[NH+](CCCO)C1 ZINC001484301004 892848736 /nfs/dbraw/zinc/84/87/36/892848736.db2.gz NGWJSAPIUMNTHY-UHFFFAOYSA-N 1 2 294.355 -1.046 20 0 CAADLO C[C@@H](O)C[NH+]1CC(O)(CNC(=O)[C@]2(C)CCOC2)C1 ZINC001484304780 892848868 /nfs/dbraw/zinc/84/88/68/892848868.db2.gz ZFMJEWVITPSPHV-ZYHUDNBSSA-N 1 2 272.345 -1.043 20 0 CAADLO CN1C(=O)CCC[C@H]1C(=O)NCC1(O)C[NH+](CCCO)C1 ZINC001484308152 892849257 /nfs/dbraw/zinc/84/92/57/892849257.db2.gz ZNIQFHPOKGNTMU-NSHDSACASA-N 1 2 299.371 -1.457 20 0 CAADLO C[C@H](O)C[NH+]1CC(O)(CNC(=O)[C@]2(C)CCOC2)C1 ZINC001484304776 892849336 /nfs/dbraw/zinc/84/93/36/892849336.db2.gz ZFMJEWVITPSPHV-CMPLNLGQSA-N 1 2 272.345 -1.043 20 0 CAADLO C[C@H](O)C[NH+]1CC(O)(CNC(=O)Cn2cncn2)C1 ZINC001484309074 892849799 /nfs/dbraw/zinc/84/97/99/892849799.db2.gz MTLJXKGEVOXJRY-VIFPVBQESA-N 1 2 269.305 -2.178 20 0 CAADLO COc1c(C(=O)NCC2(O)C[NH+](C[C@H](C)O)C2)cnn1C ZINC001484307867 892849889 /nfs/dbraw/zinc/84/98/89/892849889.db2.gz UKSOZWCMQNFBAX-VIFPVBQESA-N 1 2 298.343 -1.414 20 0 CAADLO COCCC[NH+]1CC(O)(CNC(=O)Cc2nc[nH]n2)C1 ZINC001484305393 892850118 /nfs/dbraw/zinc/85/01/18/892850118.db2.gz UOTSYCBMLRWSTM-UHFFFAOYSA-N 1 2 283.332 -1.453 20 0 CAADLO CCOCC[NH+]1CC(O)(CNC(=O)Cn2cncn2)C1 ZINC001484308944 892850279 /nfs/dbraw/zinc/85/02/79/892850279.db2.gz HBYPVZDEFWMEBI-UHFFFAOYSA-N 1 2 283.332 -1.523 20 0 CAADLO C[C@@H](O)C[NH+]1CC(O)(CNC(=O)Cn2cncn2)C1 ZINC001484309073 892850513 /nfs/dbraw/zinc/85/05/13/892850513.db2.gz MTLJXKGEVOXJRY-SECBINFHSA-N 1 2 269.305 -2.178 20 0 CAADLO C[C@H](O)C[NH+]1CC(O)(CNC(=O)CCc2cn(C)nn2)C1 ZINC001484313269 892852869 /nfs/dbraw/zinc/85/28/69/892852869.db2.gz PPXDMBQPRJHWOU-JTQLQIEISA-N 1 2 297.359 -1.709 20 0 CAADLO CNC(=O)CN1CC(O)(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001484312489 892853571 /nfs/dbraw/zinc/85/35/71/892853571.db2.gz BHWMRHIVAWYBRM-UHFFFAOYSA-N 1 2 281.316 -2.208 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@@](CO)(NC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001484443037 892855700 /nfs/dbraw/zinc/85/57/00/892855700.db2.gz CQTSCKUWZYBWMM-VYUIOLGVSA-N 1 2 298.343 -2.464 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@@](CO)(NC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001484443037 892855714 /nfs/dbraw/zinc/85/57/14/892855714.db2.gz CQTSCKUWZYBWMM-VYUIOLGVSA-N 1 2 298.343 -2.464 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CCC[C@](CO)(NC(=O)c2ccn[nH]2)C1 ZINC001484426943 892855918 /nfs/dbraw/zinc/85/59/18/892855918.db2.gz ADECUAOEAZJDOZ-RNCFNFMXSA-N 1 2 295.343 -1.160 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CCC[C@](CO)(NC(=O)c2ccn[nH]2)C1 ZINC001484426943 892855924 /nfs/dbraw/zinc/85/59/24/892855924.db2.gz ADECUAOEAZJDOZ-RNCFNFMXSA-N 1 2 295.343 -1.160 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@](CO)(NC(=O)C2=CCOCC2)C1 ZINC001484433969 892858776 /nfs/dbraw/zinc/85/87/76/892858776.db2.gz JYBAFKWPSHPJBM-AWEZNQCLSA-N 1 2 297.355 -1.239 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@](CO)(NC(=O)C2=CCOCC2)C1 ZINC001484433969 892858791 /nfs/dbraw/zinc/85/87/91/892858791.db2.gz JYBAFKWPSHPJBM-AWEZNQCLSA-N 1 2 297.355 -1.239 20 0 CAADLO Cn1cnnc1C[NH2+]CCN(CCO)C(=O)C(N)=O ZINC001484491999 892869545 /nfs/dbraw/zinc/86/95/45/892869545.db2.gz CHEWHUZZYDSQAZ-UHFFFAOYSA-N 1 2 270.293 -2.789 20 0 CAADLO COC(=O)NCC(=O)NC[C@@H]1COCC[N@@H+]1CCCO ZINC001484587520 892875071 /nfs/dbraw/zinc/87/50/71/892875071.db2.gz WWWKCPQNEOTABJ-SNVBAGLBSA-N 1 2 289.332 -1.458 20 0 CAADLO COC(=O)NCC(=O)NC[C@@H]1COCC[N@H+]1CCCO ZINC001484587520 892875081 /nfs/dbraw/zinc/87/50/81/892875081.db2.gz WWWKCPQNEOTABJ-SNVBAGLBSA-N 1 2 289.332 -1.458 20 0 CAADLO CC(=O)NCC(=O)NC[C@H]1COCC[N@H+]1CCCO ZINC001484583624 892876725 /nfs/dbraw/zinc/87/67/25/892876725.db2.gz CMGFPUKUWODRSH-NSHDSACASA-N 1 2 273.333 -1.678 20 0 CAADLO CC(=O)NCC(=O)NC[C@H]1COCC[N@@H+]1CCCO ZINC001484583624 892876705 /nfs/dbraw/zinc/87/67/05/892876705.db2.gz CMGFPUKUWODRSH-NSHDSACASA-N 1 2 273.333 -1.678 20 0 CAADLO CC[N@@H+]1CCOC[C@H]1CNC(=O)Cn1nc(C)n(C)c1=O ZINC001484607264 892878634 /nfs/dbraw/zinc/87/86/34/892878634.db2.gz JSXGSAVETFAJMU-LLVKDONJSA-N 1 2 297.359 -1.273 20 0 CAADLO CC[N@H+]1CCOC[C@H]1CNC(=O)Cn1nc(C)n(C)c1=O ZINC001484607264 892878644 /nfs/dbraw/zinc/87/86/44/892878644.db2.gz JSXGSAVETFAJMU-LLVKDONJSA-N 1 2 297.359 -1.273 20 0 CAADLO CNC(=O)CN1CCOC[C@@H]1CNC(=O)Cc1c[nH]c[nH+]1 ZINC001484603590 892878965 /nfs/dbraw/zinc/87/89/65/892878965.db2.gz NHBYSKOQYUJDDH-NSHDSACASA-N 1 2 295.343 -1.485 20 0 CAADLO Cn1c[nH+]cc1CC(=O)NC[C@H]1COCCN1CCO ZINC001484611294 892879681 /nfs/dbraw/zinc/87/96/81/892879681.db2.gz YRXPCRMYQNWAJR-LBPRGKRZSA-N 1 2 282.344 -1.228 20 0 CAADLO CNC(=O)CN1CCOC[C@H]1CNC(=O)Cc1c[nH]c[nH+]1 ZINC001484603589 892880353 /nfs/dbraw/zinc/88/03/53/892880353.db2.gz NHBYSKOQYUJDDH-LLVKDONJSA-N 1 2 295.343 -1.485 20 0 CAADLO O=C(Cn1cncn1)NC[C@H]1CCC2(C[NH+](CCO)C2)O1 ZINC001484792148 892886796 /nfs/dbraw/zinc/88/67/96/892886796.db2.gz WSHFPLGMLJRCJI-LLVKDONJSA-N 1 2 295.343 -1.380 20 0 CAADLO COCC(=O)N[C@@H]1COC2(C[NH+](C[C@H](C)O)C2)C1 ZINC001484788901 892887074 /nfs/dbraw/zinc/88/70/74/892887074.db2.gz HZUXPGSOHYMIQN-UWVGGRQHSA-N 1 2 258.318 -1.027 20 0 CAADLO CCOCC[NH+]1CC2(C1)C[C@@H](NC(=O)CC(N)=O)CO2 ZINC001484794513 892890449 /nfs/dbraw/zinc/89/04/49/892890449.db2.gz MKKXCKIZCROBKX-SNVBAGLBSA-N 1 2 285.344 -1.142 20 0 CAADLO O=C(CCn1cncn1)N[C@@H]1COC2(C[NH+](CCO)C2)C1 ZINC001484791621 892890889 /nfs/dbraw/zinc/89/08/89/892890889.db2.gz MBYCGVDLABAFMW-NSHDSACASA-N 1 2 295.343 -1.380 20 0 CAADLO O=C(CCn1cncn1)N[C@H]1COC2(C[NH+](CCO)C2)C1 ZINC001484791618 892891111 /nfs/dbraw/zinc/89/11/11/892891111.db2.gz MBYCGVDLABAFMW-LLVKDONJSA-N 1 2 295.343 -1.380 20 0 CAADLO CC(=O)N(C)CC(=O)N[C@H]1COC2(C[NH+](C[C@H](C)O)C2)C1 ZINC001484790282 892891447 /nfs/dbraw/zinc/89/14/47/892891447.db2.gz FQIDUQYDYQUSRP-CMPLNLGQSA-N 1 2 299.371 -1.195 20 0 CAADLO CCC(=O)N[C@H](C)C(=O)N[C@H]1COC2(C[NH+](CCO)C2)C1 ZINC001484798508 892893059 /nfs/dbraw/zinc/89/30/59/892893059.db2.gz YSRUIJVHEBQAMN-GHMZBOCLSA-N 1 2 299.371 -1.147 20 0 CAADLO Cc1nnc(C[NH2+][C@]2(CO)CCCN(C(=O)C(N)=O)C2)[nH]1 ZINC001484846668 892893664 /nfs/dbraw/zinc/89/36/64/892893664.db2.gz FSGQCSOHRJBOLB-GFCCVEGCSA-N 1 2 296.331 -1.958 20 0 CAADLO CC(=O)NC1(C[NH2+]Cc2nnn(C)n2)CCOCC1 ZINC001484857122 892893702 /nfs/dbraw/zinc/89/37/02/892893702.db2.gz VGNGNHGGYGKSHW-UHFFFAOYSA-N 1 2 268.321 -1.015 20 0 CAADLO CCC(=O)N[C@@H](C)C(=O)N[C@H]1COC2(C[NH+](CCO)C2)C1 ZINC001484798511 892895800 /nfs/dbraw/zinc/89/58/00/892895800.db2.gz YSRUIJVHEBQAMN-WDEREUQCSA-N 1 2 299.371 -1.147 20 0 CAADLO CCC(=O)NC1(CO)CC[NH+](Cc2nc(=O)n(C)[nH]2)CC1 ZINC001485011892 892901995 /nfs/dbraw/zinc/90/19/95/892901995.db2.gz NSQCOCJPLYKSGC-UHFFFAOYSA-N 1 2 297.359 -1.039 20 0 CAADLO COCC(=O)NC1(CO)CC[NH+](Cc2cnnn2C)CC1 ZINC001485011569 892903614 /nfs/dbraw/zinc/90/36/14/892903614.db2.gz QIFOFVSCNISQIK-UHFFFAOYSA-N 1 2 297.359 -1.095 20 0 CAADLO NC(=O)C[NH+]1CCC(CO)(NC(=O)[C@H]2CCCCO2)CC1 ZINC001485017198 892903835 /nfs/dbraw/zinc/90/38/35/892903835.db2.gz SDXRCMJGONTLNA-LLVKDONJSA-N 1 2 299.371 -1.016 20 0 CAADLO COC(=O)NCC(=O)N[C@H](C)[C@@H](C)[NH2+]Cc1nnn(C)n1 ZINC001485126906 892905271 /nfs/dbraw/zinc/90/52/71/892905271.db2.gz QOAOWGAXTHGLKL-HTQZYQBOSA-N 1 2 299.335 -1.451 20 0 CAADLO CC(=O)NC[C@@H](C)[N@H+](C)CC(=O)N1CCNC(=O)C1 ZINC001485267742 892914195 /nfs/dbraw/zinc/91/41/95/892914195.db2.gz VZBWRRZDDZANKN-SECBINFHSA-N 1 2 270.333 -1.599 20 0 CAADLO CC(=O)NC[C@@H](C)[N@@H+](C)CC(=O)N1CCNC(=O)C1 ZINC001485267742 892914205 /nfs/dbraw/zinc/91/42/05/892914205.db2.gz VZBWRRZDDZANKN-SECBINFHSA-N 1 2 270.333 -1.599 20 0 CAADLO C[C@H](CNC(=O)[C@H]1COC(=O)N1)[N@H+](C)Cc1cnnn1C ZINC001485299072 892916686 /nfs/dbraw/zinc/91/66/86/892916686.db2.gz CLVBVOKKCSAMHI-PSASIEDQSA-N 1 2 296.331 -1.140 20 0 CAADLO C[C@H](CNC(=O)[C@H]1COC(=O)N1)[N@@H+](C)Cc1cnnn1C ZINC001485299072 892916690 /nfs/dbraw/zinc/91/66/90/892916690.db2.gz CLVBVOKKCSAMHI-PSASIEDQSA-N 1 2 296.331 -1.140 20 0 CAADLO C[C@H](C(N)=O)[N@@H+](C)[C@@H](C)CNC(=O)c1cn[nH]n1 ZINC001485322311 892918597 /nfs/dbraw/zinc/91/85/97/892918597.db2.gz ADKBVGAYHQLVEY-NKWVEPMBSA-N 1 2 254.294 -1.271 20 0 CAADLO C[C@H](C(N)=O)[N@H+](C)[C@@H](C)CNC(=O)c1cn[nH]n1 ZINC001485322311 892918603 /nfs/dbraw/zinc/91/86/03/892918603.db2.gz ADKBVGAYHQLVEY-NKWVEPMBSA-N 1 2 254.294 -1.271 20 0 CAADLO C[C@H](C(N)=O)[N@@H+](C)[C@@H](C)CNC(=O)c1cnn[nH]1 ZINC001485322311 892918610 /nfs/dbraw/zinc/91/86/10/892918610.db2.gz ADKBVGAYHQLVEY-NKWVEPMBSA-N 1 2 254.294 -1.271 20 0 CAADLO C[C@H](C(N)=O)[N@H+](C)[C@@H](C)CNC(=O)c1cnn[nH]1 ZINC001485322311 892918617 /nfs/dbraw/zinc/91/86/17/892918617.db2.gz ADKBVGAYHQLVEY-NKWVEPMBSA-N 1 2 254.294 -1.271 20 0 CAADLO C[C@@H](CNC(=O)[C@H]1COC(=O)N1)[N@H+](C)Cc1cnnn1C ZINC001485299075 892919422 /nfs/dbraw/zinc/91/94/22/892919422.db2.gz CLVBVOKKCSAMHI-WCBMZHEXSA-N 1 2 296.331 -1.140 20 0 CAADLO C[C@@H](CNC(=O)[C@H]1COC(=O)N1)[N@@H+](C)Cc1cnnn1C ZINC001485299075 892919433 /nfs/dbraw/zinc/91/94/33/892919433.db2.gz CLVBVOKKCSAMHI-WCBMZHEXSA-N 1 2 296.331 -1.140 20 0 CAADLO Cc1nc(CC(=O)NC[C@@H](C)[N@H+](C)[C@H](C)C(N)=O)n[nH]1 ZINC001485304297 892919560 /nfs/dbraw/zinc/91/95/60/892919560.db2.gz OYXLDNLOCFVAQA-HTQZYQBOSA-N 1 2 282.348 -1.034 20 0 CAADLO Cc1nc(CC(=O)NC[C@@H](C)[N@@H+](C)[C@H](C)C(N)=O)n[nH]1 ZINC001485304297 892919565 /nfs/dbraw/zinc/91/95/65/892919565.db2.gz OYXLDNLOCFVAQA-HTQZYQBOSA-N 1 2 282.348 -1.034 20 0 CAADLO C[C@H](CNC(=O)c1cn[nH]n1)[N@H+](C)[C@H](C)C(N)=O ZINC001485322312 892920684 /nfs/dbraw/zinc/92/06/84/892920684.db2.gz ADKBVGAYHQLVEY-RNFRBKRXSA-N 1 2 254.294 -1.271 20 0 CAADLO C[C@H](CNC(=O)c1cn[nH]n1)[N@@H+](C)[C@H](C)C(N)=O ZINC001485322312 892920699 /nfs/dbraw/zinc/92/06/99/892920699.db2.gz ADKBVGAYHQLVEY-RNFRBKRXSA-N 1 2 254.294 -1.271 20 0 CAADLO C[C@H](CNC(=O)c1cnn[nH]1)[N@H+](C)[C@H](C)C(N)=O ZINC001485322312 892920707 /nfs/dbraw/zinc/92/07/07/892920707.db2.gz ADKBVGAYHQLVEY-RNFRBKRXSA-N 1 2 254.294 -1.271 20 0 CAADLO C[C@H](CNC(=O)c1cnn[nH]1)[N@@H+](C)[C@H](C)C(N)=O ZINC001485322312 892920716 /nfs/dbraw/zinc/92/07/16/892920716.db2.gz ADKBVGAYHQLVEY-RNFRBKRXSA-N 1 2 254.294 -1.271 20 0 CAADLO C[C@@H](CNC(=O)C(N)=O)[N@H+](C)CC(=O)N[C@@H](C)C1CC1 ZINC001485345705 892923071 /nfs/dbraw/zinc/92/30/71/892923071.db2.gz OLHHITLNNHVCGP-IUCAKERBSA-N 1 2 284.360 -1.177 20 0 CAADLO C[C@@H](CNC(=O)C(N)=O)[N@@H+](C)CC(=O)N[C@@H](C)C1CC1 ZINC001485345705 892923083 /nfs/dbraw/zinc/92/30/83/892923083.db2.gz OLHHITLNNHVCGP-IUCAKERBSA-N 1 2 284.360 -1.177 20 0 CAADLO CC(=O)N1CC(C(=O)NC2(CCO)C[NH+](CCO)C2)C1 ZINC001485404131 892926748 /nfs/dbraw/zinc/92/67/48/892926748.db2.gz PBJHMHQWCUNQTM-UHFFFAOYSA-N 1 2 285.344 -1.990 20 0 CAADLO O=C(CN1CCCCC1=O)NC1(CCO)C[NH+](CCO)C1 ZINC001485408361 892926938 /nfs/dbraw/zinc/92/69/38/892926938.db2.gz FLZGLUKVWFQQKB-UHFFFAOYSA-N 1 2 299.371 -1.456 20 0 CAADLO CCC(=O)NCC(=O)NC1(CCO)C[NH+](CCCO)C1 ZINC001485400038 892927540 /nfs/dbraw/zinc/92/75/40/892927540.db2.gz CHYCSBOUHMEUKQ-UHFFFAOYSA-N 1 2 287.360 -1.552 20 0 CAADLO CO[C@@H](C)C[NH+]1CC(CCO)(NC(=O)Cn2cnnn2)C1 ZINC001485397351 892929034 /nfs/dbraw/zinc/92/90/34/892929034.db2.gz QGAZZDJSDDYBDP-JTQLQIEISA-N 1 2 298.347 -1.739 20 0 CAADLO O=C(Cn1cnnn1)NC1(CCO)C[NH+](CCCO)C1 ZINC001485397056 892929090 /nfs/dbraw/zinc/92/90/90/892929090.db2.gz LFCVPPFKWXLAAV-UHFFFAOYSA-N 1 2 284.320 -2.392 20 0 CAADLO CCNC(=O)C[NH+]1CC([C@@H](C)NC(=O)CNC(C)=O)C1 ZINC001485488165 892930893 /nfs/dbraw/zinc/93/08/93/892930893.db2.gz HYFLVPFXRVUSPJ-SECBINFHSA-N 1 2 284.360 -1.305 20 0 CAADLO CCC(=O)NCC(=O)N[C@H](C)C1C[NH+](CC(=O)NC)C1 ZINC001485496227 892931017 /nfs/dbraw/zinc/93/10/17/892931017.db2.gz IWBPWBAKJCAVCR-SECBINFHSA-N 1 2 284.360 -1.305 20 0 CAADLO COCCC[NH+]1CC(CCO)(NC(=O)Cc2nc[nH]n2)C1 ZINC001485422989 892931273 /nfs/dbraw/zinc/93/12/73/892931273.db2.gz YXFYHOGBYDJNMH-UHFFFAOYSA-N 1 2 297.359 -1.063 20 0 CAADLO CNC(=O)C[NH+]1CC([C@H](C)NC(=O)CNC(=O)C2CC2)C1 ZINC001485491321 892931653 /nfs/dbraw/zinc/93/16/53/892931653.db2.gz GBYVHOMTHHKTLT-VIFPVBQESA-N 1 2 296.371 -1.305 20 0 CAADLO NC(=O)CN1CC(CCO)(NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001485417092 892932392 /nfs/dbraw/zinc/93/23/92/892932392.db2.gz AWHRJDZSIFRHRX-UHFFFAOYSA-N 1 2 281.316 -2.010 20 0 CAADLO CC(C)[C@@H](O)C(=O)N[C@H](C)C1C[NH+](CC(N)=O)C1 ZINC001485503277 892932689 /nfs/dbraw/zinc/93/26/89/892932689.db2.gz OPXOYZGEENOXGZ-LDYMZIIASA-N 1 2 257.334 -1.075 20 0 CAADLO C[C@@H](O)C[NH+]1CC(CCO)(NC(=O)CCCC(N)=O)C1 ZINC001485425089 892932922 /nfs/dbraw/zinc/93/29/22/892932922.db2.gz AYZRCFSOSPWZNV-SNVBAGLBSA-N 1 2 287.360 -1.424 20 0 CAADLO C[C@@H](O)C[NH+]1CC(CCO)(NC(=O)c2c[nH]c(=O)cn2)C1 ZINC001485415911 892933118 /nfs/dbraw/zinc/93/31/18/892933118.db2.gz PBTYTRPETFUCMM-SECBINFHSA-N 1 2 296.327 -1.683 20 0 CAADLO CC1(C)C[N@H+](CC(N)=O)C[C@H]1NC(=O)C1(C(N)=O)CC1 ZINC001485578577 892934888 /nfs/dbraw/zinc/93/48/88/892934888.db2.gz YSNHDEYWYMNWSH-MRVPVSSYSA-N 1 2 282.344 -1.436 20 0 CAADLO CC1(C)C[N@@H+](CC(N)=O)C[C@H]1NC(=O)C1(C(N)=O)CC1 ZINC001485578577 892934896 /nfs/dbraw/zinc/93/48/96/892934896.db2.gz YSNHDEYWYMNWSH-MRVPVSSYSA-N 1 2 282.344 -1.436 20 0 CAADLO CC1(C)C[N@H+](CC(N)=O)C[C@@H]1NC(=O)C1(C(N)=O)CC1 ZINC001485578578 892935081 /nfs/dbraw/zinc/93/50/81/892935081.db2.gz YSNHDEYWYMNWSH-QMMMGPOBSA-N 1 2 282.344 -1.436 20 0 CAADLO CC1(C)C[N@@H+](CC(N)=O)C[C@@H]1NC(=O)C1(C(N)=O)CC1 ZINC001485578578 892935085 /nfs/dbraw/zinc/93/50/85/892935085.db2.gz YSNHDEYWYMNWSH-QMMMGPOBSA-N 1 2 282.344 -1.436 20 0 CAADLO C[C@H](NC(=O)Cc1nc[nH]n1)C1C[NH+]([C@@H](C)C(N)=O)C1 ZINC001485527895 892935352 /nfs/dbraw/zinc/93/53/52/892935352.db2.gz AEVPXFIODCWVQX-YUMQZZPRSA-N 1 2 280.332 -1.343 20 0 CAADLO C[C@@H](NC(=O)C[NH+]1CC([C@@H](C)NC(=O)C(N)=O)C1)C1CC1 ZINC001485516947 892935558 /nfs/dbraw/zinc/93/55/58/892935558.db2.gz NBQMIDNJNWUHQY-RKDXNWHRSA-N 1 2 296.371 -1.177 20 0 CAADLO CC(=O)NCC(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3cnon3)C[C@H]21 ZINC001485587115 892935934 /nfs/dbraw/zinc/93/59/34/892935934.db2.gz ROGSFVYAIIKWDG-CNDDSTCGSA-N 1 2 293.327 -1.000 20 0 CAADLO CC(=O)NCC(=O)NC[C@@H]1[C@H]2C[N@H+](Cc3cnon3)C[C@H]21 ZINC001485587115 892935947 /nfs/dbraw/zinc/93/59/47/892935947.db2.gz ROGSFVYAIIKWDG-CNDDSTCGSA-N 1 2 293.327 -1.000 20 0 CAADLO C[C@@H](NC(=O)Cc1nc[nH]n1)C1C[NH+]([C@H](C)C(N)=O)C1 ZINC001485527892 892936650 /nfs/dbraw/zinc/93/66/50/892936650.db2.gz AEVPXFIODCWVQX-HTQZYQBOSA-N 1 2 280.332 -1.343 20 0 CAADLO Cc1nnc(C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]2CNC(=O)N2)o1 ZINC001485915824 892951184 /nfs/dbraw/zinc/95/11/84/892951184.db2.gz FCNHTDKXUNZLQI-CBAPKCEASA-N 1 2 296.331 -1.004 20 0 CAADLO Cc1nnc(C[NH2+][C@@H](C)CN(C)C(=O)[C@H]2CNC(=O)N2)o1 ZINC001485915825 892952641 /nfs/dbraw/zinc/95/26/41/892952641.db2.gz FCNHTDKXUNZLQI-IONNQARKSA-N 1 2 296.331 -1.004 20 0 CAADLO Cn1ncnc1C[NH2+][C@@H](CO)CNC(=O)C1CC1 ZINC001485966833 892954226 /nfs/dbraw/zinc/95/42/26/892954226.db2.gz CKQURRXBNFDJIF-SECBINFHSA-N 1 2 253.306 -1.208 20 0 CAADLO Cn1nnnc1C[NH2+][C@H](CO)CNC(=O)C(C)(C)F ZINC001485967846 892954318 /nfs/dbraw/zinc/95/43/18/892954318.db2.gz XVFMPKQVLDDTBV-ZETCQYMHSA-N 1 2 274.300 -1.475 20 0 CAADLO CCn1cc(C[NH2+][C@@H](CO)CNC(=O)CNC(C)=O)nn1 ZINC001485968911 892955558 /nfs/dbraw/zinc/95/55/58/892955558.db2.gz JPJPAJMZALYIPP-LLVKDONJSA-N 1 2 298.347 -1.999 20 0 CAADLO Cn1nnnc1C[NH2+][C@@H](CO)CNC(=O)C(C)(C)F ZINC001485967845 892956051 /nfs/dbraw/zinc/95/60/51/892956051.db2.gz XVFMPKQVLDDTBV-SSDOTTSWSA-N 1 2 274.300 -1.475 20 0 CAADLO CC(=O)NCC(=O)NC[C@H](CO)[NH2+][C@@H](C)c1ncccn1 ZINC001485969470 892958655 /nfs/dbraw/zinc/95/86/55/892958655.db2.gz MVXBCEROMQOHNC-GXSJLCMTSA-N 1 2 295.343 -1.260 20 0 CAADLO Cn1nnnc1C[NH2+][C@@H](CO)CNC(=O)Cn1cccn1 ZINC001485973801 892958739 /nfs/dbraw/zinc/95/87/39/892958739.db2.gz ROWXDLURKMYRGF-SECBINFHSA-N 1 2 294.319 -2.327 20 0 CAADLO Cn1cc(C[NH2+][C@@H](CO)CNC(=O)[C@H]2CCCO2)nn1 ZINC001485972175 892960841 /nfs/dbraw/zinc/96/08/41/892960841.db2.gz KDQNPOOLPXZIJJ-GHMZBOCLSA-N 1 2 283.332 -1.439 20 0 CAADLO Cn1ncnc1C[NH2+][C@H](CO)CNC(=O)C[C@@H]1CCCO1 ZINC001485978003 892963276 /nfs/dbraw/zinc/96/32/76/892963276.db2.gz YDHCOBDYNJJUSE-QWRGUYRKSA-N 1 2 297.359 -1.049 20 0 CAADLO Cn1ncnc1C[NH2+][C@@H](CO)CNC(=O)C[C@H]1CCCO1 ZINC001485978001 892963458 /nfs/dbraw/zinc/96/34/58/892963458.db2.gz YDHCOBDYNJJUSE-GHMZBOCLSA-N 1 2 297.359 -1.049 20 0 CAADLO Cc1nc(C[NH2+][C@@H](CO)CNC(=O)[C@H]2COCCO2)co1 ZINC001485975795 892963926 /nfs/dbraw/zinc/96/39/26/892963926.db2.gz HINQBKDNEBSXID-ZYHUDNBSSA-N 1 2 299.327 -1.035 20 0 CAADLO Cn1ncnc1C[NH2+][C@H](CO)CNC(=O)C[C@H]1CCCO1 ZINC001485978004 892964996 /nfs/dbraw/zinc/96/49/96/892964996.db2.gz YDHCOBDYNJJUSE-WDEREUQCSA-N 1 2 297.359 -1.049 20 0 CAADLO Cc1cc(C[NH2+][C@H](CO)CNC(=O)[C@H]2COCCO2)no1 ZINC001485978014 892965137 /nfs/dbraw/zinc/96/51/37/892965137.db2.gz YGBSEGWHKHMKSJ-NWDGAFQWSA-N 1 2 299.327 -1.035 20 0 CAADLO Cc1cc(C[NH2+][C@H](CO)CNC(=O)[C@@H]2COCCO2)no1 ZINC001485978015 892965499 /nfs/dbraw/zinc/96/54/99/892965499.db2.gz YGBSEGWHKHMKSJ-RYUDHWBXSA-N 1 2 299.327 -1.035 20 0 CAADLO Cc1cc(C[NH2+][C@@H](CO)CNC(=O)[C@@H]2COCCO2)no1 ZINC001485978013 892965956 /nfs/dbraw/zinc/96/59/56/892965956.db2.gz YGBSEGWHKHMKSJ-NEPJUHHUSA-N 1 2 299.327 -1.035 20 0 CAADLO CCC(=O)NCC(=O)NC[C@@H](CO)[NH2+]Cc1nonc1C ZINC001485979736 892968863 /nfs/dbraw/zinc/96/88/63/892968863.db2.gz NRCNHMJLYDDDBD-VIFPVBQESA-N 1 2 299.331 -1.529 20 0 CAADLO CO[C@@H](C)CC(=O)NC[C@@H](CO)[NH2+]Cc1nnnn1C ZINC001485979326 892968920 /nfs/dbraw/zinc/96/89/20/892968920.db2.gz HYNODKFVMHDXDG-IUCAKERBSA-N 1 2 286.336 -1.798 20 0 CAADLO Cc1nc(C[NH2+][C@H](CO)CNC(=O)[C@H]2CCC(=O)N2)co1 ZINC001485980304 892969655 /nfs/dbraw/zinc/96/96/55/892969655.db2.gz UFYFHYNUYWATHL-GXSJLCMTSA-N 1 2 296.327 -1.172 20 0 CAADLO Cn1nnnc1C[NH2+][C@@H](CO)CNC(=O)C[C@H]1CCOC1 ZINC001485982411 892969752 /nfs/dbraw/zinc/96/97/52/892969752.db2.gz LPLDDVQJQGQMGD-NXEZZACHSA-N 1 2 298.347 -1.797 20 0 CAADLO CCC(=O)NCC(=O)NC[C@@H](CO)[NH2+]Cc1nnnn1C ZINC001485979893 892970176 /nfs/dbraw/zinc/97/01/76/892970176.db2.gz PLVLAOILUWVTAB-QMMMGPOBSA-N 1 2 299.335 -2.697 20 0 CAADLO Cn1cnc(C(=O)NC[C@H](CO)[NH2+]Cc2cn(C)nn2)c1 ZINC001485988405 892971844 /nfs/dbraw/zinc/97/18/44/892971844.db2.gz WQOMHNXUONZBGM-SNVBAGLBSA-N 1 2 293.331 -1.571 20 0 CAADLO Cn1ncc(C[NH2+][C@@H](CO)CNC(=O)[C@@H]2CCCCO2)n1 ZINC001485987785 892972237 /nfs/dbraw/zinc/97/22/37/892972237.db2.gz TZJYDSMRKJRSNT-NEPJUHHUSA-N 1 2 297.359 -1.049 20 0 CAADLO Cn1nnnc1C[NH2+][C@@H](CO)CNC(=O)[C@H]1CCCCO1 ZINC001485987451 892973284 /nfs/dbraw/zinc/97/32/84/892973284.db2.gz NMQBNKDWIRRQOG-NXEZZACHSA-N 1 2 298.347 -1.654 20 0 CAADLO Cn1nnnc1C[NH2+][C@H](CO)CNC(=O)[C@H]1CCCCO1 ZINC001485987453 892973794 /nfs/dbraw/zinc/97/37/94/892973794.db2.gz NMQBNKDWIRRQOG-VHSXEESVSA-N 1 2 298.347 -1.654 20 0 CAADLO Cn1ncnc1C[NH2+][C@H](CO)CNC(=O)C1=CCOCC1 ZINC001485988667 892974126 /nfs/dbraw/zinc/97/41/26/892974126.db2.gz HBQHRXBXTYXCPJ-NSHDSACASA-N 1 2 295.343 -1.272 20 0 CAADLO Cn1ncc(C[NH2+][C@H](CO)CNC(=O)[C@@H]2CCCCO2)n1 ZINC001485987790 892974179 /nfs/dbraw/zinc/97/41/79/892974179.db2.gz TZJYDSMRKJRSNT-RYUDHWBXSA-N 1 2 297.359 -1.049 20 0 CAADLO Cn1cnnc1C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCCCO1 ZINC001485987264 892974408 /nfs/dbraw/zinc/97/44/08/892974408.db2.gz KSOPIPNJRFQTML-MNOVXSKESA-N 1 2 297.359 -1.049 20 0 CAADLO Cc1nnc(C[NH2+][C@@H](CO)CNC(=O)CC2(O)CCC2)[nH]1 ZINC001485994029 892976480 /nfs/dbraw/zinc/97/64/80/892976480.db2.gz QVZGHSCYKOGTHI-SNVBAGLBSA-N 1 2 297.359 -1.015 20 0 CAADLO Cc1nn[nH]c1C(=O)NC[C@@H](CO)[NH2+]Cc1cnn(C)n1 ZINC001486022810 892986974 /nfs/dbraw/zinc/98/69/74/892986974.db2.gz JRYMYLVZTVOHHU-VIFPVBQESA-N 1 2 294.319 -1.878 20 0 CAADLO Cc1nnc(C[NH2+][C@@H](CO)CNC(=O)C(N)=O)n1C1CC1 ZINC001486029547 892990195 /nfs/dbraw/zinc/99/01/95/892990195.db2.gz BCPKRGWBYQUYGF-MRVPVSSYSA-N 1 2 296.331 -2.027 20 0 CAADLO Cn1ncnc1C[NH2+][C@@H](CO)CNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001486034283 892993970 /nfs/dbraw/zinc/99/39/70/892993970.db2.gz PEOACZUPAPIWTE-HLTSFMKQSA-N 1 2 296.331 -2.497 20 0 CAADLO Cn1ncnc1C[NH2+][C@H](CO)CNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001486034287 892994454 /nfs/dbraw/zinc/99/44/54/892994454.db2.gz PEOACZUPAPIWTE-YIZRAAEISA-N 1 2 296.331 -2.497 20 0 CAADLO Cn1nnnc1C[NH2+][C@H](CO)CNC(=O)c1n[nH]cc1F ZINC001486031685 892995712 /nfs/dbraw/zinc/99/57/12/892995712.db2.gz IHNPMCUIVMUPPB-LURJTMIESA-N 1 2 298.282 -2.047 20 0 CAADLO Cc1cc(C[NH2+][C@@H](CO)CNC(=O)c2nnc[nH]2)ncn1 ZINC001486044755 892997308 /nfs/dbraw/zinc/99/73/08/892997308.db2.gz SLMPYPURNCPQLD-SNVBAGLBSA-N 1 2 291.315 -1.216 20 0 CAADLO Cn1cc(C[NH2+][C@H](CO)CNC(=O)c2cnon2)nn1 ZINC001486043286 892997543 /nfs/dbraw/zinc/99/75/43/892997543.db2.gz JYTVLJFXBCDFJT-QMMMGPOBSA-N 1 2 281.276 -1.921 20 0 CAADLO O=C(NC[C@@H](CO)[NH2+]Cc1ccon1)c1cnon1 ZINC001486044600 892997982 /nfs/dbraw/zinc/99/79/82/892997982.db2.gz RHLNMCFRRFEULZ-QMMMGPOBSA-N 1 2 267.245 -1.062 20 0 CAADLO Cn1nnnc1C[NH2+][C@H](CO)CNC(=O)c1cccnn1 ZINC001486046628 892998226 /nfs/dbraw/zinc/99/82/26/892998226.db2.gz VCUSOEXNOIEYGQ-QMMMGPOBSA-N 1 2 292.303 -2.119 20 0 CAADLO Cn1nnnc1C[NH2+][C@@H](CO)CNC(=O)c1cccnn1 ZINC001486046627 892998806 /nfs/dbraw/zinc/99/88/06/892998806.db2.gz VCUSOEXNOIEYGQ-MRVPVSSYSA-N 1 2 292.303 -2.119 20 0 CAADLO Cn1ncnc1C[NH2+][C@H](CO)CNC(=O)[C@]1(C)CCOC1 ZINC001486049305 892998925 /nfs/dbraw/zinc/99/89/25/892998925.db2.gz ZMXDUVWDTTVAHT-GXFFZTMASA-N 1 2 297.359 -1.192 20 0 CAADLO Cc1nc(C[NH2+][C@@H](CO)CNC(=O)Cc2nc[nH]n2)co1 ZINC001486049599 892998965 /nfs/dbraw/zinc/99/89/65/892998965.db2.gz HBVFCKMOWGOSKW-SECBINFHSA-N 1 2 294.315 -1.089 20 0 CAADLO Cn1cc(C[NH2+][C@@H](CO)CNC(=O)Cc2nc[nH]n2)nn1 ZINC001486050991 893004095 /nfs/dbraw/zinc/00/40/95/893004095.db2.gz VCLDUIBOHZLLSL-SECBINFHSA-N 1 2 294.319 -2.257 20 0 CAADLO Cn1nccc1C[NH2+][C@H](CO)CNC(=O)Cc1nnc[nH]1 ZINC001486050508 893004236 /nfs/dbraw/zinc/00/42/36/893004236.db2.gz PVELGSIWDFORLL-VIFPVBQESA-N 1 2 293.331 -1.652 20 0 CAADLO CN(C[C@@H](O)C[NH2+]CC(N)=O)C(=O)C(F)C(F)(F)F ZINC001486276964 893031972 /nfs/dbraw/zinc/03/19/72/893031972.db2.gz BNYKXFVDGKTEQV-CAHLUQPWSA-N 1 2 289.229 -1.219 20 0 CAADLO CN(C[C@@H](O)C[NH2+]CC(N)=O)C(=O)[C@@H](F)C(F)(F)F ZINC001486276964 893031992 /nfs/dbraw/zinc/03/19/92/893031992.db2.gz BNYKXFVDGKTEQV-CAHLUQPWSA-N 1 2 289.229 -1.219 20 0 CAADLO CN(C[C@@H](O)C[NH2+]Cc1cnsn1)C(=O)C(N)=O ZINC001486298383 893043329 /nfs/dbraw/zinc/04/33/29/893043329.db2.gz ODPREPAKUIOFKL-ZETCQYMHSA-N 1 2 273.318 -2.068 20 0 CAADLO COCC[N@H+](CCNC(=O)c1cn(C)nn1)[C@@H](C)C(N)=O ZINC001486428036 893066006 /nfs/dbraw/zinc/06/60/06/893066006.db2.gz MUTUNQFFXJYYNF-VIFPVBQESA-N 1 2 298.347 -1.633 20 0 CAADLO COCC[N@@H+](CCNC(=O)c1cn(C)nn1)[C@@H](C)C(N)=O ZINC001486428036 893066027 /nfs/dbraw/zinc/06/60/27/893066027.db2.gz MUTUNQFFXJYYNF-VIFPVBQESA-N 1 2 298.347 -1.633 20 0 CAADLO COCC[N@H+](CCNC(=O)c1cnn(C)c1N)CC(N)=O ZINC001486428395 893066134 /nfs/dbraw/zinc/06/61/34/893066134.db2.gz WSVNSIUARHAIBP-UHFFFAOYSA-N 1 2 298.347 -1.834 20 0 CAADLO COCC[N@@H+](CCNC(=O)c1cnn(C)c1N)CC(N)=O ZINC001486428395 893066157 /nfs/dbraw/zinc/06/61/57/893066157.db2.gz WSVNSIUARHAIBP-UHFFFAOYSA-N 1 2 298.347 -1.834 20 0 CAADLO NC(=O)C(=O)NC1CC(CNC(=O)CCn2cc[nH+]c2)C1 ZINC001486616462 893073431 /nfs/dbraw/zinc/07/34/31/893073431.db2.gz FLEAKNZGYBUEFL-UHFFFAOYSA-N 1 2 293.327 -1.231 20 0 CAADLO C[C@H](CNC(=O)CC(N)=O)N(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001486828044 893081021 /nfs/dbraw/zinc/08/10/21/893081021.db2.gz LQAPIYGQAREEGF-MRVPVSSYSA-N 1 2 281.316 -1.209 20 0 CAADLO C[C@@H](CNC(=O)CC(N)=O)N(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001486828045 893082012 /nfs/dbraw/zinc/08/20/12/893082012.db2.gz LQAPIYGQAREEGF-QMMMGPOBSA-N 1 2 281.316 -1.209 20 0 CAADLO C[C@@H](CNC(=O)Cc1c[nH+]cn1C)N(C)C(=O)C(N)=O ZINC001486935329 893083927 /nfs/dbraw/zinc/08/39/27/893083927.db2.gz QGBCMWSGKOHAPP-QMMMGPOBSA-N 1 2 281.316 -1.589 20 0 CAADLO COCC(=O)NC1(CCO)CN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001487015276 893084614 /nfs/dbraw/zinc/08/46/14/893084614.db2.gz AFXGYHXWUJZWKY-UHFFFAOYSA-N 1 2 296.327 -1.322 20 0 CAADLO CC(=O)N1CC(CCO)(NC(=O)Cn2cc[nH+]c2)C1 ZINC001487039310 893085017 /nfs/dbraw/zinc/08/50/17/893085017.db2.gz OXDKRQPIMSAXID-UHFFFAOYSA-N 1 2 266.301 -1.017 20 0 CAADLO C[C@@H](NC(=O)Cc1[nH]cc[nH+]1)C1CN(C(=O)C(N)=O)C1 ZINC001487210508 893090747 /nfs/dbraw/zinc/09/07/47/893090747.db2.gz DZKXDNAWRXVWCY-SSDOTTSWSA-N 1 2 279.300 -1.599 20 0 CAADLO NC(=O)CC(=O)N[C@H]1C[C@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001487411608 893092757 /nfs/dbraw/zinc/09/27/57/893092757.db2.gz CXZPOQYSUVIJSR-MGCOHNPYSA-N 1 2 293.327 -1.231 20 0 CAADLO C[C@H](CCCNC(=O)C(N)=O)NC(=O)Cn1cc[nH+]c1 ZINC001487513539 893096933 /nfs/dbraw/zinc/09/69/33/893096933.db2.gz KMTNXWMVNIHBBV-SECBINFHSA-N 1 2 281.316 -1.231 20 0 CAADLO C[C@@H](CN(C)C(=O)Cc1c[nH+]c[nH]1)NC(=O)CC(N)=O ZINC001487920425 893105210 /nfs/dbraw/zinc/10/52/10/893105210.db2.gz IFRJNCJLJGTNHU-QMMMGPOBSA-N 1 2 281.316 -1.209 20 0 CAADLO C[C@@H](CN(C)C(=O)C(N)=O)NC(=O)CCc1[nH]cc[nH+]1 ZINC001487891500 893105300 /nfs/dbraw/zinc/10/53/00/893105300.db2.gz ZEFAZGFRPMLJPT-QMMMGPOBSA-N 1 2 281.316 -1.209 20 0 CAADLO CCOCC(=O)NC[C@H](CO)NC(=O)Cn1cc[nH+]c1 ZINC001487936351 893114530 /nfs/dbraw/zinc/11/45/30/893114530.db2.gz SXSYZKBOWYUSFP-SNVBAGLBSA-N 1 2 284.316 -1.487 20 0 CAADLO CC[C@@H](OC)C(=O)NC[C@H](CO)NC(=O)Cn1cc[nH+]c1 ZINC001487959385 893120244 /nfs/dbraw/zinc/12/02/44/893120244.db2.gz XSJOXCCQTWATRL-GHMZBOCLSA-N 1 2 298.343 -1.099 20 0 CAADLO CC[C@@H](OC)C(=O)NC[C@@H](CO)NC(=O)Cn1cc[nH+]c1 ZINC001487959390 893121107 /nfs/dbraw/zinc/12/11/07/893121107.db2.gz XSJOXCCQTWATRL-WDEREUQCSA-N 1 2 298.343 -1.099 20 0 CAADLO C[C@H](CC(=O)NC[C@@H](CO)NC(=O)C(N)=O)n1cc[nH+]c1 ZINC001487994581 893131049 /nfs/dbraw/zinc/13/10/49/893131049.db2.gz AIPFKELNFWFJLX-BDAKNGLRSA-N 1 2 297.315 -2.087 20 0 CAADLO O=C(Cn1cc[nH+]c1)NC[C@H](CO)NC(=O)C1CC1 ZINC001488030013 893132084 /nfs/dbraw/zinc/13/20/84/893132084.db2.gz ODULNSLYJHJKQT-SNVBAGLBSA-N 1 2 266.301 -1.114 20 0 CAADLO CO[C@@H](C)CC(=O)N[C@@H](CO)CNC(=O)Cn1cc[nH+]c1 ZINC001488030351 893133027 /nfs/dbraw/zinc/13/30/27/893133027.db2.gz RTBNSFPYQCDZLU-WDEREUQCSA-N 1 2 298.343 -1.099 20 0 CAADLO CC(=O)N[C@@H](CO)CNC(=O)Cc1[nH]c[nH+]c1C ZINC001488054004 893135193 /nfs/dbraw/zinc/13/51/93/893135193.db2.gz AQUOBZQULHHQNB-SECBINFHSA-N 1 2 254.290 -1.126 20 0 CAADLO CC(=O)N[C@H](CO)CNC(=O)Cc1[nH]c[nH+]c1C ZINC001488054005 893135989 /nfs/dbraw/zinc/13/59/89/893135989.db2.gz AQUOBZQULHHQNB-VIFPVBQESA-N 1 2 254.290 -1.126 20 0 CAADLO O=C(Cc1[nH]cc[nH+]1)NC[C@H](CO)NC(=O)c1ccon1 ZINC001488077363 893141137 /nfs/dbraw/zinc/14/11/37/893141137.db2.gz HTSDTAXNJPVVHP-MRVPVSSYSA-N 1 2 293.283 -1.153 20 0 CAADLO CC(C)OCC(=O)N[C@@H](CO)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001488077994 893142921 /nfs/dbraw/zinc/14/29/21/893142921.db2.gz NKMGSKJOIJRZKM-SNVBAGLBSA-N 1 2 298.343 -1.030 20 0 CAADLO O=C(Cc1c[nH]c[nH+]1)NC[C@@H](CO)NC(=O)C(F)F ZINC001488111152 893147608 /nfs/dbraw/zinc/14/76/08/893147608.db2.gz NEOJCEKGSMFCPL-ZETCQYMHSA-N 1 2 276.243 -1.189 20 0 CAADLO COC[C@@H](C)C(=O)N[C@@H](CO)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001488109741 893148861 /nfs/dbraw/zinc/14/88/61/893148861.db2.gz DVBPEZHLZAJOOU-MWLCHTKSSA-N 1 2 298.343 -1.172 20 0 CAADLO COC[C@H](C)C(=O)N[C@H](CO)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001488109742 893149318 /nfs/dbraw/zinc/14/93/18/893149318.db2.gz DVBPEZHLZAJOOU-ONGXEEELSA-N 1 2 298.343 -1.172 20 0 CAADLO COCCC(=O)N(C)C[C@H](O)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001488315489 893151584 /nfs/dbraw/zinc/15/15/84/893151584.db2.gz OWHQTOXEYFEKDD-LLVKDONJSA-N 1 2 298.343 -1.076 20 0 CAADLO COCC(=O)N(C)C[C@@H](O)CNC(=O)Cn1cc[nH+]c1 ZINC001488318322 893152085 /nfs/dbraw/zinc/15/20/85/893152085.db2.gz KZMUMLPCRHRYHL-JTQLQIEISA-N 1 2 284.316 -1.535 20 0 CAADLO COCC(=O)N(C)C[C@H](O)CNC(=O)Cn1cc[nH+]c1 ZINC001488318323 893152433 /nfs/dbraw/zinc/15/24/33/893152433.db2.gz KZMUMLPCRHRYHL-SNVBAGLBSA-N 1 2 284.316 -1.535 20 0 CAADLO CCCOCC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@@H]1O ZINC001488545927 893163254 /nfs/dbraw/zinc/16/32/54/893163254.db2.gz LTFOCEMCYOUABW-MXWKQRLJSA-N 1 2 285.344 -1.537 20 0 CAADLO CCCOCC(=O)N[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@@H]1O ZINC001488545927 893163263 /nfs/dbraw/zinc/16/32/63/893163263.db2.gz LTFOCEMCYOUABW-MXWKQRLJSA-N 1 2 285.344 -1.537 20 0 CAADLO C[C@H](C(=O)N(C)C)[N@@H+]1CC[C@H]1CN(C)C(=O)C(N)=O ZINC001488653094 893163336 /nfs/dbraw/zinc/16/33/36/893163336.db2.gz IEEATBVXKBBRSJ-BDAKNGLRSA-N 1 2 270.333 -1.519 20 0 CAADLO C[C@H](C(=O)N(C)C)[N@H+]1CC[C@H]1CN(C)C(=O)C(N)=O ZINC001488653094 893163340 /nfs/dbraw/zinc/16/33/40/893163340.db2.gz IEEATBVXKBBRSJ-BDAKNGLRSA-N 1 2 270.333 -1.519 20 0 CAADLO CN(C[C@H]1CC[N@@H+]1[C@H]1CCNC1=O)C(=O)CCNC(N)=O ZINC001488687728 893164283 /nfs/dbraw/zinc/16/42/83/893164283.db2.gz FOSOOMCBCCOZEA-ZJUUUORDSA-N 1 2 297.359 -1.534 20 0 CAADLO CN(C[C@H]1CC[N@H+]1[C@H]1CCNC1=O)C(=O)CCNC(N)=O ZINC001488687728 893164295 /nfs/dbraw/zinc/16/42/95/893164295.db2.gz FOSOOMCBCCOZEA-ZJUUUORDSA-N 1 2 297.359 -1.534 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)CCNC(N)=O ZINC001488692254 893164726 /nfs/dbraw/zinc/16/47/26/893164726.db2.gz WRHHBQVFAAAPRN-SECBINFHSA-N 1 2 285.348 -1.677 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)CCNC(N)=O ZINC001488692254 893164732 /nfs/dbraw/zinc/16/47/32/893164732.db2.gz WRHHBQVFAAAPRN-SECBINFHSA-N 1 2 285.348 -1.677 20 0 CAADLO CN(C[C@@H]1CC[N@@H+]1[C@@H]1CCNC1=O)C(=O)CCNC(N)=O ZINC001488687726 893165106 /nfs/dbraw/zinc/16/51/06/893165106.db2.gz FOSOOMCBCCOZEA-VHSXEESVSA-N 1 2 297.359 -1.534 20 0 CAADLO CN(C[C@@H]1CC[N@H+]1[C@@H]1CCNC1=O)C(=O)CCNC(N)=O ZINC001488687726 893165112 /nfs/dbraw/zinc/16/51/12/893165112.db2.gz FOSOOMCBCCOZEA-VHSXEESVSA-N 1 2 297.359 -1.534 20 0 CAADLO CC(=O)N1CCC[C@H]([N@@H+](CCO)Cc2nc(=O)n(C)[nH]2)C1 ZINC001489153745 893171586 /nfs/dbraw/zinc/17/15/86/893171586.db2.gz UMCOOIKVTKRUNY-NSHDSACASA-N 1 2 297.359 -1.086 20 0 CAADLO CC(=O)N1CCC[C@H]([N@H+](CCO)Cc2nc(=O)n(C)[nH]2)C1 ZINC001489153745 893171595 /nfs/dbraw/zinc/17/15/95/893171595.db2.gz UMCOOIKVTKRUNY-NSHDSACASA-N 1 2 297.359 -1.086 20 0 CAADLO CC[C@H](C)NC(=O)C[N@@H+]1CC[C@H](NC(=O)C(N)=O)[C@H]1C ZINC001489287198 893174661 /nfs/dbraw/zinc/17/46/61/893174661.db2.gz QSGOFNREEYCTKI-AEJSXWLSSA-N 1 2 284.360 -1.035 20 0 CAADLO CC[C@H](C)NC(=O)C[N@H+]1CC[C@H](NC(=O)C(N)=O)[C@H]1C ZINC001489287198 893174668 /nfs/dbraw/zinc/17/46/68/893174668.db2.gz QSGOFNREEYCTKI-AEJSXWLSSA-N 1 2 284.360 -1.035 20 0 CAADLO CCOCC(=O)N[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1O ZINC001489285166 893174841 /nfs/dbraw/zinc/17/48/41/893174841.db2.gz NKUCGWIWGHPTOP-NXEZZACHSA-N 1 2 296.327 -1.323 20 0 CAADLO CN(C[C@H]1CCN1C(=O)C(N)=O)C(=O)CCn1cc[nH+]c1 ZINC001489766201 893186886 /nfs/dbraw/zinc/18/68/86/893186886.db2.gz BXNVPWUQTCALLQ-SNVBAGLBSA-N 1 2 293.327 -1.182 20 0 CAADLO Cc1noc(C[N@H+](C)CCCNC(=O)[C@H]2CNC(=O)N2)n1 ZINC001490240014 893194498 /nfs/dbraw/zinc/19/44/98/893194498.db2.gz HZRDWKFTSHPXHL-SECBINFHSA-N 1 2 296.331 -1.002 20 0 CAADLO Cc1noc(C[N@@H+](C)CCCNC(=O)[C@H]2CNC(=O)N2)n1 ZINC001490240014 893194505 /nfs/dbraw/zinc/19/45/05/893194505.db2.gz HZRDWKFTSHPXHL-SECBINFHSA-N 1 2 296.331 -1.002 20 0 CAADLO CCn1ncc(C[N@H+](C)CCCNC(=O)C(N)=O)n1 ZINC001490245354 893195358 /nfs/dbraw/zinc/19/53/58/893195358.db2.gz SGUYZQUUPMISES-UHFFFAOYSA-N 1 2 268.321 -1.279 20 0 CAADLO CCn1ncc(C[N@@H+](C)CCCNC(=O)C(N)=O)n1 ZINC001490245354 893195359 /nfs/dbraw/zinc/19/53/59/893195359.db2.gz SGUYZQUUPMISES-UHFFFAOYSA-N 1 2 268.321 -1.279 20 0 CAADLO CS(=O)(=O)NCC[N@@H+]1CCC[C@@H](NC(=O)C(N)=O)C1 ZINC001490448690 893199019 /nfs/dbraw/zinc/19/90/19/893199019.db2.gz BVLXTYHCQPXNFR-MRVPVSSYSA-N 1 2 292.361 -2.399 20 0 CAADLO CS(=O)(=O)NCC[N@H+]1CCC[C@@H](NC(=O)C(N)=O)C1 ZINC001490448690 893199027 /nfs/dbraw/zinc/19/90/27/893199027.db2.gz BVLXTYHCQPXNFR-MRVPVSSYSA-N 1 2 292.361 -2.399 20 0 CAADLO CC[N@H+](CCCNC(=O)C(N)=O)Cc1nnnn1C ZINC001490343090 893199299 /nfs/dbraw/zinc/19/92/99/893199299.db2.gz NETZRJFAYKGKCN-UHFFFAOYSA-N 1 2 269.309 -1.976 20 0 CAADLO CC[N@@H+](CCCNC(=O)C(N)=O)Cc1nnnn1C ZINC001490343090 893199313 /nfs/dbraw/zinc/19/93/13/893199313.db2.gz NETZRJFAYKGKCN-UHFFFAOYSA-N 1 2 269.309 -1.976 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@H](NC(=O)CO[C@H]2CCOC2)C1 ZINC001490435756 893199846 /nfs/dbraw/zinc/19/98/46/893199846.db2.gz PIKCDUPQNXHSID-QWRGUYRKSA-N 1 2 285.344 -1.142 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@H](NC(=O)CO[C@H]2CCOC2)C1 ZINC001490435756 893199859 /nfs/dbraw/zinc/19/98/59/893199859.db2.gz PIKCDUPQNXHSID-QWRGUYRKSA-N 1 2 285.344 -1.142 20 0 CAADLO CC(C)[N@H+](C)CC(=O)NCCNC(=O)CS(C)(=O)=O ZINC001491159010 893247466 /nfs/dbraw/zinc/24/74/66/893247466.db2.gz XVSCCGSBAIELEU-UHFFFAOYSA-N 1 2 293.389 -1.396 20 0 CAADLO CC(C)[N@@H+](C)CC(=O)NCCNC(=O)CS(C)(=O)=O ZINC001491159010 893247484 /nfs/dbraw/zinc/24/74/84/893247484.db2.gz XVSCCGSBAIELEU-UHFFFAOYSA-N 1 2 293.389 -1.396 20 0 CAADLO C[C@@H](C(N)=O)[NH+]1CCN(CCNC(=O)c2cocn2)CC1 ZINC001490486065 893205304 /nfs/dbraw/zinc/20/53/04/893205304.db2.gz MREHYBBJIIUTDX-JTQLQIEISA-N 1 2 295.343 -1.104 20 0 CAADLO C[C@H](C(N)=O)[NH+]1CCN(CCNC(=O)c2cnon2)CC1 ZINC001490507015 893205432 /nfs/dbraw/zinc/20/54/32/893205432.db2.gz JJATXXJUXQCONA-SECBINFHSA-N 1 2 296.331 -1.709 20 0 CAADLO O=C(NCC[NH+]1CCN(CCF)CC1)[C@H]1CCC(=O)N1 ZINC001490486039 893208062 /nfs/dbraw/zinc/20/80/62/893208062.db2.gz LTMHWOYZDOFYRN-LLVKDONJSA-N 1 2 286.351 -1.032 20 0 CAADLO C[C@H](NC(N)=O)C(=O)N[C@@H]1CC[N@H+](CC(=O)NC2CC2)C1 ZINC001490537724 893208373 /nfs/dbraw/zinc/20/83/73/893208373.db2.gz LOYIILPJSJDSRE-WCBMZHEXSA-N 1 2 297.359 -1.488 20 0 CAADLO C[C@H](NC(N)=O)C(=O)N[C@@H]1CC[N@@H+](CC(=O)NC2CC2)C1 ZINC001490537724 893208393 /nfs/dbraw/zinc/20/83/93/893208393.db2.gz LOYIILPJSJDSRE-WCBMZHEXSA-N 1 2 297.359 -1.488 20 0 CAADLO CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)COCCOC)C1 ZINC001490531411 893209775 /nfs/dbraw/zinc/20/97/75/893209775.db2.gz XGVOTKBUSJJKAD-LLVKDONJSA-N 1 2 287.360 -1.024 20 0 CAADLO CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)COCCOC)C1 ZINC001490531411 893209789 /nfs/dbraw/zinc/20/97/89/893209789.db2.gz XGVOTKBUSJJKAD-LLVKDONJSA-N 1 2 287.360 -1.024 20 0 CAADLO Cc1cc(C[NH+]2CCN(CCNC(=O)C(N)=O)CC2)on1 ZINC001490501270 893210082 /nfs/dbraw/zinc/21/00/82/893210082.db2.gz QPPUZMRBDYIGBJ-UHFFFAOYSA-N 1 2 295.343 -1.298 20 0 CAADLO CCC[C@@H](C)NC(=O)C[N@@H+]1CC[C@@H](NC(=O)C(N)=O)C1 ZINC001490558874 893211980 /nfs/dbraw/zinc/21/19/80/893211980.db2.gz MRCXDPUFCJVVHX-NXEZZACHSA-N 1 2 284.360 -1.033 20 0 CAADLO CCC[C@@H](C)NC(=O)C[N@H+]1CC[C@@H](NC(=O)C(N)=O)C1 ZINC001490558874 893211995 /nfs/dbraw/zinc/21/19/95/893211995.db2.gz MRCXDPUFCJVVHX-NXEZZACHSA-N 1 2 284.360 -1.033 20 0 CAADLO COCCOCCC(=O)N[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001490581095 893213428 /nfs/dbraw/zinc/21/34/28/893213428.db2.gz VVOFTZZVQUVTGH-JTQLQIEISA-N 1 2 273.333 -1.285 20 0 CAADLO COCCOCCC(=O)N[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001490581095 893213442 /nfs/dbraw/zinc/21/34/42/893213442.db2.gz VVOFTZZVQUVTGH-JTQLQIEISA-N 1 2 273.333 -1.285 20 0 CAADLO CCC[C@H](C)NC(=O)C[N@@H+]1CC[C@@H](NC(=O)C(N)=O)C1 ZINC001490558877 893213582 /nfs/dbraw/zinc/21/35/82/893213582.db2.gz MRCXDPUFCJVVHX-VHSXEESVSA-N 1 2 284.360 -1.033 20 0 CAADLO CCC[C@H](C)NC(=O)C[N@H+]1CC[C@@H](NC(=O)C(N)=O)C1 ZINC001490558877 893213594 /nfs/dbraw/zinc/21/35/94/893213594.db2.gz MRCXDPUFCJVVHX-VHSXEESVSA-N 1 2 284.360 -1.033 20 0 CAADLO CCC[C@@H](C)NC(=O)C[N@@H+]1CC[C@H](NC(=O)C(N)=O)C1 ZINC001490558879 893214263 /nfs/dbraw/zinc/21/42/63/893214263.db2.gz MRCXDPUFCJVVHX-ZJUUUORDSA-N 1 2 284.360 -1.033 20 0 CAADLO CCC[C@@H](C)NC(=O)C[N@H+]1CC[C@H](NC(=O)C(N)=O)C1 ZINC001490558879 893214279 /nfs/dbraw/zinc/21/42/79/893214279.db2.gz MRCXDPUFCJVVHX-ZJUUUORDSA-N 1 2 284.360 -1.033 20 0 CAADLO CCC[C@H](C)NC(=O)C[N@@H+]1CC[C@H](NC(=O)C(N)=O)C1 ZINC001490558876 893214586 /nfs/dbraw/zinc/21/45/86/893214586.db2.gz MRCXDPUFCJVVHX-UWVGGRQHSA-N 1 2 284.360 -1.033 20 0 CAADLO CCC[C@H](C)NC(=O)C[N@H+]1CC[C@H](NC(=O)C(N)=O)C1 ZINC001490558876 893214603 /nfs/dbraw/zinc/21/46/03/893214603.db2.gz MRCXDPUFCJVVHX-UWVGGRQHSA-N 1 2 284.360 -1.033 20 0 CAADLO CCCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](NC(=O)C(N)=O)C1 ZINC001490558153 893215914 /nfs/dbraw/zinc/21/59/14/893215914.db2.gz ATVUWFYNMKPVLL-BDAKNGLRSA-N 1 2 270.333 -1.423 20 0 CAADLO CCCNC(=O)[C@@H](C)[N@H+]1CC[C@H](NC(=O)C(N)=O)C1 ZINC001490558153 893215930 /nfs/dbraw/zinc/21/59/30/893215930.db2.gz ATVUWFYNMKPVLL-BDAKNGLRSA-N 1 2 270.333 -1.423 20 0 CAADLO CCN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)C(N)=O)C1 ZINC001490558883 893216430 /nfs/dbraw/zinc/21/64/30/893216430.db2.gz MXPUDGOXMJCVPZ-MRVPVSSYSA-N 1 2 256.306 -1.860 20 0 CAADLO CCN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)C(N)=O)C1 ZINC001490558883 893216438 /nfs/dbraw/zinc/21/64/38/893216438.db2.gz MXPUDGOXMJCVPZ-MRVPVSSYSA-N 1 2 256.306 -1.860 20 0 CAADLO Cn1nnnc1C[NH2+][C@@H](CNC(=O)c1nnc[nH]1)C1CC1 ZINC001490720483 893220399 /nfs/dbraw/zinc/22/03/99/893220399.db2.gz QCVPCCTZBRIXTQ-QMMMGPOBSA-N 1 2 291.319 -1.374 20 0 CAADLO CC(=O)NCC(=O)NCCNC(=O)Cc1[nH]c[nH+]c1C ZINC001491068407 893235772 /nfs/dbraw/zinc/23/57/72/893235772.db2.gz IGOCYDRQSAKADB-UHFFFAOYSA-N 1 2 281.316 -1.371 20 0 CAADLO Cc1[nH+]c[nH]c1CC(=O)NCCNC(=O)[C@H]1CCC(=O)N1 ZINC001491175539 893249322 /nfs/dbraw/zinc/24/93/22/893249322.db2.gz CRQKIGWAYYUKPE-SECBINFHSA-N 1 2 293.327 -1.228 20 0 CAADLO NC(=O)C[N@@H+]1CCCC[C@@H]1CNC(=O)Cn1ncnn1 ZINC001491213734 893253778 /nfs/dbraw/zinc/25/37/78/893253778.db2.gz KOXRXJYOROJKRC-SECBINFHSA-N 1 2 281.320 -1.871 20 0 CAADLO NC(=O)C[N@H+]1CCCC[C@@H]1CNC(=O)Cn1ncnn1 ZINC001491213734 893253795 /nfs/dbraw/zinc/25/37/95/893253795.db2.gz KOXRXJYOROJKRC-SECBINFHSA-N 1 2 281.320 -1.871 20 0 CAADLO Cc1[nH+]c[nH]c1CC(=O)NCCNC(=O)c1ncn(C)n1 ZINC001491269322 893258440 /nfs/dbraw/zinc/25/84/40/893258440.db2.gz XMBOFCDGCFJRJR-UHFFFAOYSA-N 1 2 291.315 -1.065 20 0 CAADLO CNC(=O)NCCC(=O)NCCNC(=O)Cn1cc[nH+]c1 ZINC001491269335 893259552 /nfs/dbraw/zinc/25/95/52/893259552.db2.gz YGXFULDXPRRLQL-UHFFFAOYSA-N 1 2 296.331 -1.565 20 0 CAADLO COCC(=O)NC[C@@H](C)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001491372519 893264314 /nfs/dbraw/zinc/26/43/14/893264314.db2.gz SYOJZHAVEVLUFV-SSDOTTSWSA-N 1 2 257.294 -1.651 20 0 CAADLO CC(=O)NCC(=O)NC[C@H](C)[NH2+]Cc1cnon1 ZINC001491379789 893266800 /nfs/dbraw/zinc/26/68/00/893266800.db2.gz RLGUGFSPSCQRSY-ZETCQYMHSA-N 1 2 255.278 -1.200 20 0 CAADLO C[C@@H](CNC(=O)Cn1cnnn1)[NH2+]Cc1csnn1 ZINC001491388380 893269897 /nfs/dbraw/zinc/26/98/97/893269897.db2.gz GVWFZXMGKCKPBO-ZETCQYMHSA-N 1 2 282.333 -1.181 20 0 CAADLO C[C@]1(C(=O)NCCNC(=O)Cn2cc[nH+]c2)CNC(=O)C1 ZINC001491422407 893270793 /nfs/dbraw/zinc/27/07/93/893270793.db2.gz SXBWKEFKDZFVBP-CYBMUJFWSA-N 1 2 293.327 -1.358 20 0 CAADLO C[C@@H](CNC(=O)CC(N)=O)[NH2+]Cc1nc(N(C)C)no1 ZINC001491418265 893270837 /nfs/dbraw/zinc/27/08/37/893270837.db2.gz KEDRDUDPNMPJBE-ZETCQYMHSA-N 1 2 284.320 -1.395 20 0 CAADLO C[C@H](CNC(=O)CC(N)=O)[NH2+]Cc1nc(N(C)C)no1 ZINC001491418264 893271455 /nfs/dbraw/zinc/27/14/55/893271455.db2.gz KEDRDUDPNMPJBE-SSDOTTSWSA-N 1 2 284.320 -1.395 20 0 CAADLO C[C@@]1(C(=O)NCCNC(=O)Cn2cc[nH+]c2)CNC(=O)C1 ZINC001491422408 893273892 /nfs/dbraw/zinc/27/38/92/893273892.db2.gz SXBWKEFKDZFVBP-ZDUSSCGKSA-N 1 2 293.327 -1.358 20 0 CAADLO C[C@H](CNC(=O)c1ccnn1C)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001491411575 893274522 /nfs/dbraw/zinc/27/45/22/893274522.db2.gz UYIFOLAIPACQPH-MRVPVSSYSA-N 1 2 293.331 -1.250 20 0 CAADLO CNC(=O)NCC(=O)NC[C@@H](C)[NH2+]Cc1cnon1 ZINC001491474032 893276307 /nfs/dbraw/zinc/27/63/07/893276307.db2.gz QXFTYISUCCOZTD-SSDOTTSWSA-N 1 2 270.293 -1.407 20 0 CAADLO C[C@@]1(C(=O)NCCNC(=O)Cc2[nH]cc[nH+]2)CCNC1=O ZINC001491526562 893285319 /nfs/dbraw/zinc/28/53/19/893285319.db2.gz MQWHULCLCOHYTL-CYBMUJFWSA-N 1 2 293.327 -1.289 20 0 CAADLO CN1CC[C@H](C(=O)NCCNC(=O)Cc2[nH]cc[nH+]2)C1=O ZINC001491517022 893285643 /nfs/dbraw/zinc/28/56/43/893285643.db2.gz DSKBCTISVZUMHN-SECBINFHSA-N 1 2 293.327 -1.337 20 0 CAADLO Cc1nnc(C[NH2+][C@@H](C)CNC(=O)c2nnn(C)n2)o1 ZINC001491556516 893290936 /nfs/dbraw/zinc/29/09/36/893290936.db2.gz YBARMCHTVVTHKY-LURJTMIESA-N 1 2 280.292 -1.190 20 0 CAADLO O=C(Cc1c[nH]c[nH+]1)NCCNC(=O)Cn1cncn1 ZINC001491546567 893291134 /nfs/dbraw/zinc/29/11/34/893291134.db2.gz BJKXHDOYHVCRNG-UHFFFAOYSA-N 1 2 277.288 -1.524 20 0 CAADLO CCc1noc(C[NH2+][C@H](C)CNC(=O)[C@@H]2CNC(=O)N2)n1 ZINC001491566456 893294010 /nfs/dbraw/zinc/29/40/10/893294010.db2.gz IZBOFVWGBITONW-SFYZADRCSA-N 1 2 296.331 -1.092 20 0 CAADLO CCc1noc(C[NH2+][C@H](C)CNC(=O)[C@H]2CNC(=O)N2)n1 ZINC001491566453 893294573 /nfs/dbraw/zinc/29/45/73/893294573.db2.gz IZBOFVWGBITONW-HTQZYQBOSA-N 1 2 296.331 -1.092 20 0 CAADLO CC(=O)NCC(=O)NCCCNC(=O)Cc1[nH]cc[nH+]1 ZINC001491562398 893294882 /nfs/dbraw/zinc/29/48/82/893294882.db2.gz HAUJGRJEPMVAQD-UHFFFAOYSA-N 1 2 281.316 -1.289 20 0 CAADLO C[C@H](CNC(=O)CC[NH+](C)C)NCc1nc(=O)n(C)[nH]1 ZINC001491567189 893294973 /nfs/dbraw/zinc/29/49/73/893294973.db2.gz DGVPEEQDBCCCHH-SECBINFHSA-N 1 2 284.364 -1.346 20 0 CAADLO C[C@H](CNC(=O)c1ccncn1)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001491613050 893299502 /nfs/dbraw/zinc/29/95/02/893299502.db2.gz AYVAFEMWRMLZSL-MRVPVSSYSA-N 1 2 291.315 -1.194 20 0 CAADLO C[C@@H](CC(=O)NCCCNC(=O)C(N)=O)n1cc[nH+]c1 ZINC001491709312 893305448 /nfs/dbraw/zinc/30/54/48/893305448.db2.gz JXAYPHPMWSCAPP-VIFPVBQESA-N 1 2 281.316 -1.058 20 0 CAADLO Cn1cc(C(=O)NCCCNC(=O)Cn2cc[nH+]c2)nn1 ZINC001491689409 893305894 /nfs/dbraw/zinc/30/58/94/893305894.db2.gz DCGOZWYYFIUGSJ-UHFFFAOYSA-N 1 2 291.315 -1.052 20 0 CAADLO O=C(Cc1c[nH]c[nH+]1)NCCCNC(=O)Cn1ncnn1 ZINC001491715921 893308329 /nfs/dbraw/zinc/30/83/29/893308329.db2.gz VVGMCZRJTWWBHV-UHFFFAOYSA-N 1 2 292.303 -1.739 20 0 CAADLO Cn1cc[nH+]c1CCC(=O)NCCCNC(=O)C(N)=O ZINC001491764175 893311012 /nfs/dbraw/zinc/31/10/12/893311012.db2.gz PCWONTVUCJJOGY-UHFFFAOYSA-N 1 2 281.316 -1.540 20 0 CAADLO O=C(Cc1[nH]cc[nH+]1)NCCCNC(=O)[C@H]1CNC(=O)N1 ZINC001491769321 893311958 /nfs/dbraw/zinc/31/19/58/893311958.db2.gz QMKJRYNDGRDIEB-MRVPVSSYSA-N 1 2 294.315 -1.744 20 0 CAADLO Cn1[nH]c(C[N@H+](C)CCNC(=O)[C@@H]2COCCO2)nc1=O ZINC001492194674 893325105 /nfs/dbraw/zinc/32/51/05/893325105.db2.gz FQLFGZDNFMKBCL-VIFPVBQESA-N 1 2 299.331 -1.928 20 0 CAADLO Cn1[nH]c(C[N@@H+](C)CCNC(=O)[C@@H]2COCCO2)nc1=O ZINC001492194674 893325123 /nfs/dbraw/zinc/32/51/23/893325123.db2.gz FQLFGZDNFMKBCL-VIFPVBQESA-N 1 2 299.331 -1.928 20 0 CAADLO Cn1[nH]c(C[N@H+](C)CCNC(=O)[C@H]2COCCO2)nc1=O ZINC001492194671 893326477 /nfs/dbraw/zinc/32/64/77/893326477.db2.gz FQLFGZDNFMKBCL-SECBINFHSA-N 1 2 299.331 -1.928 20 0 CAADLO Cn1[nH]c(C[N@@H+](C)CCNC(=O)[C@H]2COCCO2)nc1=O ZINC001492194671 893326491 /nfs/dbraw/zinc/32/64/91/893326491.db2.gz FQLFGZDNFMKBCL-SECBINFHSA-N 1 2 299.331 -1.928 20 0 CAADLO C[C@@H](C(=O)NCC[N@H+](C)CC(N)=O)n1cccn1 ZINC001492197297 893329928 /nfs/dbraw/zinc/32/99/28/893329928.db2.gz SLZZRUMSNLVEDK-VIFPVBQESA-N 1 2 253.306 -1.023 20 0 CAADLO C[C@@H](C(=O)NCC[N@@H+](C)CC(N)=O)n1cccn1 ZINC001492197297 893329948 /nfs/dbraw/zinc/32/99/48/893329948.db2.gz SLZZRUMSNLVEDK-VIFPVBQESA-N 1 2 253.306 -1.023 20 0 CAADLO Cn1nncc1C(=O)NCC[N@H+](C)CC(=O)NC1CC1 ZINC001492238126 893331445 /nfs/dbraw/zinc/33/14/45/893331445.db2.gz UJXKJBWSTPYMIX-UHFFFAOYSA-N 1 2 280.332 -1.245 20 0 CAADLO Cn1nncc1C(=O)NCC[N@@H+](C)CC(=O)NC1CC1 ZINC001492238126 893331465 /nfs/dbraw/zinc/33/14/65/893331465.db2.gz UJXKJBWSTPYMIX-UHFFFAOYSA-N 1 2 280.332 -1.245 20 0 CAADLO C[C@H](NC(N)=O)C(=O)NCC[N@H+](C)CC(=O)NC1CC1 ZINC001492234439 893331854 /nfs/dbraw/zinc/33/18/54/893331854.db2.gz QEZRLRZVNXWZON-QMMMGPOBSA-N 1 2 285.348 -1.630 20 0 CAADLO C[C@H](NC(N)=O)C(=O)NCC[N@@H+](C)CC(=O)NC1CC1 ZINC001492234439 893331873 /nfs/dbraw/zinc/33/18/73/893331873.db2.gz QEZRLRZVNXWZON-QMMMGPOBSA-N 1 2 285.348 -1.630 20 0 CAADLO CCNC(=O)C[N@H+](C)CCNC(=O)c1nnn(C)c1C ZINC001492219005 893333082 /nfs/dbraw/zinc/33/30/82/893333082.db2.gz MSPBMEFDARLHFR-UHFFFAOYSA-N 1 2 282.348 -1.079 20 0 CAADLO CCNC(=O)C[N@@H+](C)CCNC(=O)c1nnn(C)c1C ZINC001492219005 893333102 /nfs/dbraw/zinc/33/31/02/893333102.db2.gz MSPBMEFDARLHFR-UHFFFAOYSA-N 1 2 282.348 -1.079 20 0 CAADLO C[N@H+](CCNC(=O)CCn1ccnn1)CC(N)=O ZINC001492237295 893333408 /nfs/dbraw/zinc/33/34/08/893333408.db2.gz WAGZEGYWXIGCRI-UHFFFAOYSA-N 1 2 254.294 -1.799 20 0 CAADLO C[N@@H+](CCNC(=O)CCn1ccnn1)CC(N)=O ZINC001492237295 893333427 /nfs/dbraw/zinc/33/34/27/893333427.db2.gz WAGZEGYWXIGCRI-UHFFFAOYSA-N 1 2 254.294 -1.799 20 0 CAADLO CNC(=O)C[N@H+](C)CCNC(=O)C[C@H]1COC(=O)C1 ZINC001492227027 893336014 /nfs/dbraw/zinc/33/60/14/893336014.db2.gz QKADEXXWTWMULE-SECBINFHSA-N 1 2 271.317 -1.266 20 0 CAADLO CNC(=O)C[N@@H+](C)CCNC(=O)C[C@H]1COC(=O)C1 ZINC001492227027 893336035 /nfs/dbraw/zinc/33/60/35/893336035.db2.gz QKADEXXWTWMULE-SECBINFHSA-N 1 2 271.317 -1.266 20 0 CAADLO CCNC(=O)C[N@H+](C)CCNC(=O)CCNC(=O)NC ZINC001492242119 893336716 /nfs/dbraw/zinc/33/67/16/893336716.db2.gz FCLGPKCHMOVVCQ-UHFFFAOYSA-N 1 2 287.364 -1.510 20 0 CAADLO CCNC(=O)C[N@@H+](C)CCNC(=O)CCNC(=O)NC ZINC001492242119 893336731 /nfs/dbraw/zinc/33/67/31/893336731.db2.gz FCLGPKCHMOVVCQ-UHFFFAOYSA-N 1 2 287.364 -1.510 20 0 CAADLO C[N@H+](CCNC(=O)CC(N)=O)CC(=O)NCC(F)(F)F ZINC001492219560 893336766 /nfs/dbraw/zinc/33/67/66/893336766.db2.gz VFQTWWAFKGTKTD-UHFFFAOYSA-N 1 2 298.265 -1.412 20 0 CAADLO C[N@@H+](CCNC(=O)CC(N)=O)CC(=O)NCC(F)(F)F ZINC001492219560 893336782 /nfs/dbraw/zinc/33/67/82/893336782.db2.gz VFQTWWAFKGTKTD-UHFFFAOYSA-N 1 2 298.265 -1.412 20 0 CAADLO CC(=O)NCC(=O)NCCCN(C)C(=O)Cn1cc[nH+]c1 ZINC001492256118 893339677 /nfs/dbraw/zinc/33/96/77/893339677.db2.gz RVSAEIHGBQPEHO-UHFFFAOYSA-N 1 2 295.343 -1.016 20 0 CAADLO CC(C)N(C)C(=O)C[N@H+](C)CCNC(=O)Cn1ncnn1 ZINC001492252079 893339806 /nfs/dbraw/zinc/33/98/06/893339806.db2.gz HNYAHOLZHSOMFU-UHFFFAOYSA-N 1 2 297.363 -1.412 20 0 CAADLO CC(C)N(C)C(=O)C[N@@H+](C)CCNC(=O)Cn1ncnn1 ZINC001492252079 893339816 /nfs/dbraw/zinc/33/98/16/893339816.db2.gz HNYAHOLZHSOMFU-UHFFFAOYSA-N 1 2 297.363 -1.412 20 0 CAADLO CN(C(=O)C[N@H+](C)CCNC(=O)Cn1ncnn1)C1CC1 ZINC001492252053 893340975 /nfs/dbraw/zinc/34/09/75/893340975.db2.gz GTGNBNZTRVXXNR-UHFFFAOYSA-N 1 2 295.347 -1.658 20 0 CAADLO CN(C(=O)C[N@@H+](C)CCNC(=O)Cn1ncnn1)C1CC1 ZINC001492252053 893340994 /nfs/dbraw/zinc/34/09/94/893340994.db2.gz GTGNBNZTRVXXNR-UHFFFAOYSA-N 1 2 295.347 -1.658 20 0 CAADLO CNC(=O)C[N@H+](C)CCNC(=O)C[C@H]1CCN(C)C1=O ZINC001492297460 893341036 /nfs/dbraw/zinc/34/10/36/893341036.db2.gz QWQLKTHAVFADQW-SNVBAGLBSA-N 1 2 284.360 -1.351 20 0 CAADLO CNC(=O)C[N@@H+](C)CCNC(=O)C[C@H]1CCN(C)C1=O ZINC001492297460 893341057 /nfs/dbraw/zinc/34/10/57/893341057.db2.gz QWQLKTHAVFADQW-SNVBAGLBSA-N 1 2 284.360 -1.351 20 0 CAADLO CNC(=O)C[N@H+](C)CCNC(=O)C[C@@H]1CCC(=O)NC1 ZINC001492278682 893341098 /nfs/dbraw/zinc/34/10/98/893341098.db2.gz SIIAMAQMNBQNTP-JTQLQIEISA-N 1 2 284.360 -1.303 20 0 CAADLO CNC(=O)C[N@@H+](C)CCNC(=O)C[C@@H]1CCC(=O)NC1 ZINC001492278682 893341119 /nfs/dbraw/zinc/34/11/19/893341119.db2.gz SIIAMAQMNBQNTP-JTQLQIEISA-N 1 2 284.360 -1.303 20 0 CAADLO Cn1nccc1CCC(=O)NCC[N@H+](C)CC(N)=O ZINC001492267455 893342364 /nfs/dbraw/zinc/34/23/64/893342364.db2.gz YLVNMMZEEKKPOA-UHFFFAOYSA-N 1 2 267.333 -1.114 20 0 CAADLO Cn1nccc1CCC(=O)NCC[N@@H+](C)CC(N)=O ZINC001492267455 893342386 /nfs/dbraw/zinc/34/23/86/893342386.db2.gz YLVNMMZEEKKPOA-UHFFFAOYSA-N 1 2 267.333 -1.114 20 0 CAADLO CNC(=O)C[N@H+](C)CCNC(=O)CN1CCN(C)C(=O)C1 ZINC001492312255 893343074 /nfs/dbraw/zinc/34/30/74/893343074.db2.gz PBNYWQYLWFVHKG-UHFFFAOYSA-N 1 2 299.375 -2.446 20 0 CAADLO CNC(=O)C[N@@H+](C)CCNC(=O)CN1CCN(C)C(=O)C1 ZINC001492312255 893343091 /nfs/dbraw/zinc/34/30/91/893343091.db2.gz PBNYWQYLWFVHKG-UHFFFAOYSA-N 1 2 299.375 -2.446 20 0 CAADLO C[N@@H+](CCO)CCNC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001492352732 893345790 /nfs/dbraw/zinc/34/57/90/893345790.db2.gz PYTSQMIQKFKTJY-QMMMGPOBSA-N 1 2 293.345 -3.060 20 0 CAADLO C[N@H+](CCO)CCNC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001492352732 893345773 /nfs/dbraw/zinc/34/57/73/893345773.db2.gz PYTSQMIQKFKTJY-QMMMGPOBSA-N 1 2 293.345 -3.060 20 0 CAADLO CCN(C)C(=O)C[N@H+](C)CCNC(=O)[C@H]1CCNC1=O ZINC001492369871 893347249 /nfs/dbraw/zinc/34/72/49/893347249.db2.gz NESZMDMNSDKZIC-JTQLQIEISA-N 1 2 284.360 -1.351 20 0 CAADLO CCN(C)C(=O)C[N@@H+](C)CCNC(=O)[C@H]1CCNC1=O ZINC001492369871 893347265 /nfs/dbraw/zinc/34/72/65/893347265.db2.gz NESZMDMNSDKZIC-JTQLQIEISA-N 1 2 284.360 -1.351 20 0 CAADLO CC(C)NC(=O)C[N@H+](C)CCNC(=O)[C@@H]1CCNC1=O ZINC001492370176 893347711 /nfs/dbraw/zinc/34/77/11/893347711.db2.gz PSROSEXNVLQQRV-SNVBAGLBSA-N 1 2 284.360 -1.305 20 0 CAADLO CC(C)NC(=O)C[N@@H+](C)CCNC(=O)[C@@H]1CCNC1=O ZINC001492370176 893347733 /nfs/dbraw/zinc/34/77/33/893347733.db2.gz PSROSEXNVLQQRV-SNVBAGLBSA-N 1 2 284.360 -1.305 20 0 CAADLO C[N@H+](CCNC(=O)C(N)=O)CC(=O)N1CCCCC1 ZINC001492398328 893347902 /nfs/dbraw/zinc/34/79/02/893347902.db2.gz KTLYMOUFPBDXMW-UHFFFAOYSA-N 1 2 270.333 -1.468 20 0 CAADLO C[N@@H+](CCNC(=O)C(N)=O)CC(=O)N1CCCCC1 ZINC001492398328 893347914 /nfs/dbraw/zinc/34/79/14/893347914.db2.gz KTLYMOUFPBDXMW-UHFFFAOYSA-N 1 2 270.333 -1.468 20 0 CAADLO COc1cc(C[N@H+](C)CCNC(=O)[C@H]2CNC(=O)N2)on1 ZINC001492392902 893348980 /nfs/dbraw/zinc/34/89/80/893348980.db2.gz MPUMVDXMSJOGGI-SECBINFHSA-N 1 2 297.315 -1.087 20 0 CAADLO COc1cc(C[N@@H+](C)CCNC(=O)[C@H]2CNC(=O)N2)on1 ZINC001492392902 893348986 /nfs/dbraw/zinc/34/89/86/893348986.db2.gz MPUMVDXMSJOGGI-SECBINFHSA-N 1 2 297.315 -1.087 20 0 CAADLO C[N@H+](CCNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)CC(N)=O ZINC001492348268 893349566 /nfs/dbraw/zinc/34/95/66/893349566.db2.gz GXMLPZKTOZLZAB-ULHKAFAUSA-N 1 2 267.329 -1.057 20 0 CAADLO C[N@@H+](CCNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)CC(N)=O ZINC001492348268 893349582 /nfs/dbraw/zinc/34/95/82/893349582.db2.gz GXMLPZKTOZLZAB-ULHKAFAUSA-N 1 2 267.329 -1.057 20 0 CAADLO CN1C[C@H](C(=O)NCC[N@H+](C)CC(=O)NC2CC2)NC1=O ZINC001492373138 893350639 /nfs/dbraw/zinc/35/06/39/893350639.db2.gz DOYSQBDGQIHIOX-SNVBAGLBSA-N 1 2 297.359 -1.663 20 0 CAADLO CN1C[C@H](C(=O)NCC[N@@H+](C)CC(=O)NC2CC2)NC1=O ZINC001492373138 893350657 /nfs/dbraw/zinc/35/06/57/893350657.db2.gz DOYSQBDGQIHIOX-SNVBAGLBSA-N 1 2 297.359 -1.663 20 0 CAADLO C[N@H+](CCNC(=O)[C@H]1CC[C@@H]1C(N)=O)CC(=O)NC1CC1 ZINC001492369173 893350686 /nfs/dbraw/zinc/35/06/86/893350686.db2.gz CLLGINQOXJJKOF-QWRGUYRKSA-N 1 2 296.371 -1.176 20 0 CAADLO C[N@@H+](CCNC(=O)[C@H]1CC[C@@H]1C(N)=O)CC(=O)NC1CC1 ZINC001492369173 893350697 /nfs/dbraw/zinc/35/06/97/893350697.db2.gz CLLGINQOXJJKOF-QWRGUYRKSA-N 1 2 296.371 -1.176 20 0 CAADLO C[N@H+](CCNC(=O)[C@@H]1CC[C@@H]1C(N)=O)CC(=O)NC1CC1 ZINC001492369174 893350953 /nfs/dbraw/zinc/35/09/53/893350953.db2.gz CLLGINQOXJJKOF-WDEREUQCSA-N 1 2 296.371 -1.176 20 0 CAADLO C[N@@H+](CCNC(=O)[C@@H]1CC[C@@H]1C(N)=O)CC(=O)NC1CC1 ZINC001492369174 893350971 /nfs/dbraw/zinc/35/09/71/893350971.db2.gz CLLGINQOXJJKOF-WDEREUQCSA-N 1 2 296.371 -1.176 20 0 CAADLO CNC(=O)C[N@H+](C)CCNC(=O)Cc1nc[nH]n1 ZINC001492494123 893351388 /nfs/dbraw/zinc/35/13/88/893351388.db2.gz PFEGPFCVEWABMO-UHFFFAOYSA-N 1 2 254.294 -1.859 20 0 CAADLO CNC(=O)C[N@@H+](C)CCNC(=O)Cc1nc[nH]n1 ZINC001492494123 893351404 /nfs/dbraw/zinc/35/14/04/893351404.db2.gz PFEGPFCVEWABMO-UHFFFAOYSA-N 1 2 254.294 -1.859 20 0 CAADLO C[C@@H](NS(C)(=O)=O)C(=O)NCC[N@H+](C)CC(N)=O ZINC001492430755 893352629 /nfs/dbraw/zinc/35/26/29/893352629.db2.gz KJSNCCNMEODWEI-SSDOTTSWSA-N 1 2 280.350 -2.543 20 0 CAADLO C[C@@H](NS(C)(=O)=O)C(=O)NCC[N@@H+](C)CC(N)=O ZINC001492430755 893352642 /nfs/dbraw/zinc/35/26/42/893352642.db2.gz KJSNCCNMEODWEI-SSDOTTSWSA-N 1 2 280.350 -2.543 20 0 CAADLO C[N@H+](CCNC(=O)C[C@H]1CCC(=O)N1)CC(N)=O ZINC001492453173 893353051 /nfs/dbraw/zinc/35/30/51/893353051.db2.gz CIAJVZRAEUUZQR-MRVPVSSYSA-N 1 2 256.306 -1.812 20 0 CAADLO C[N@@H+](CCNC(=O)C[C@H]1CCC(=O)N1)CC(N)=O ZINC001492453173 893353071 /nfs/dbraw/zinc/35/30/71/893353071.db2.gz CIAJVZRAEUUZQR-MRVPVSSYSA-N 1 2 256.306 -1.812 20 0 CAADLO CCNC(=O)C[N@H+](C)CCNC(=O)[C@@H]1CCC(=O)N1 ZINC001492816492 893354344 /nfs/dbraw/zinc/35/43/44/893354344.db2.gz BWPHNAFCGJFQNU-VIFPVBQESA-N 1 2 270.333 -1.551 20 0 CAADLO CCNC(=O)C[N@@H+](C)CCNC(=O)[C@@H]1CCC(=O)N1 ZINC001492816492 893354365 /nfs/dbraw/zinc/35/43/65/893354365.db2.gz BWPHNAFCGJFQNU-VIFPVBQESA-N 1 2 270.333 -1.551 20 0 CAADLO CC(=O)NC1(C(=O)NCC[N@@H+](C)CC(N)=O)CCCC1 ZINC001492454476 893355250 /nfs/dbraw/zinc/35/52/50/893355250.db2.gz XRPOMZYZEXCVBM-UHFFFAOYSA-N 1 2 284.360 -1.031 20 0 CAADLO CC(=O)NC1(C(=O)NCC[N@H+](C)CC(N)=O)CCCC1 ZINC001492454476 893355265 /nfs/dbraw/zinc/35/52/65/893355265.db2.gz XRPOMZYZEXCVBM-UHFFFAOYSA-N 1 2 284.360 -1.031 20 0 CAADLO C[N@H+](CCNC(=O)C[C@@H]1CCC(=O)N1)CC(=O)NC1CC1 ZINC001492453190 893355515 /nfs/dbraw/zinc/35/55/15/893355515.db2.gz COILVRGUZCMEGQ-NSHDSACASA-N 1 2 296.371 -1.018 20 0 CAADLO C[N@@H+](CCNC(=O)C[C@@H]1CCC(=O)N1)CC(=O)NC1CC1 ZINC001492453190 893355531 /nfs/dbraw/zinc/35/55/31/893355531.db2.gz COILVRGUZCMEGQ-NSHDSACASA-N 1 2 296.371 -1.018 20 0 CAADLO C[N@H+](CCNC(=O)[C@H]1CCCCN1C(N)=O)CC(N)=O ZINC001492493876 893357611 /nfs/dbraw/zinc/35/76/11/893357611.db2.gz HAMXTXRUEHYFHJ-SECBINFHSA-N 1 2 285.348 -1.547 20 0 CAADLO C[N@@H+](CCNC(=O)[C@H]1CCCCN1C(N)=O)CC(N)=O ZINC001492493876 893357630 /nfs/dbraw/zinc/35/76/30/893357630.db2.gz HAMXTXRUEHYFHJ-SECBINFHSA-N 1 2 285.348 -1.547 20 0 CAADLO CCNC(=O)C[N@H+](C)CCNC(=O)Cn1cncn1 ZINC001492846794 893358576 /nfs/dbraw/zinc/35/85/76/893358576.db2.gz SEUMTBBLEZNKOQ-UHFFFAOYSA-N 1 2 268.321 -1.538 20 0 CAADLO CCNC(=O)C[N@@H+](C)CCNC(=O)Cn1cncn1 ZINC001492846794 893358595 /nfs/dbraw/zinc/35/85/95/893358595.db2.gz SEUMTBBLEZNKOQ-UHFFFAOYSA-N 1 2 268.321 -1.538 20 0 CAADLO C[N@H+](CCNC(=O)c1ccc(C(N)=O)nc1)CC(N)=O ZINC001492894025 893358696 /nfs/dbraw/zinc/35/86/96/893358696.db2.gz GREIWPSPUBTRPG-UHFFFAOYSA-N 1 2 279.300 -1.673 20 0 CAADLO C[N@@H+](CCNC(=O)c1ccc(C(N)=O)nc1)CC(N)=O ZINC001492894025 893358706 /nfs/dbraw/zinc/35/87/06/893358706.db2.gz GREIWPSPUBTRPG-UHFFFAOYSA-N 1 2 279.300 -1.673 20 0 CAADLO CC[N@H+](CCNC(=O)CC(N)=O)Cc1nc(=O)n(C)[nH]1 ZINC001492926174 893358981 /nfs/dbraw/zinc/35/89/81/893358981.db2.gz CUAPAXRUYHOYIE-UHFFFAOYSA-N 1 2 284.320 -2.078 20 0 CAADLO CC[N@@H+](CCNC(=O)CC(N)=O)Cc1nc(=O)n(C)[nH]1 ZINC001492926174 893359002 /nfs/dbraw/zinc/35/90/02/893359002.db2.gz CUAPAXRUYHOYIE-UHFFFAOYSA-N 1 2 284.320 -2.078 20 0 CAADLO CNC(=O)C[N@H+](C)CCNC(=O)C1(C(=O)NC)CCC1 ZINC001492824211 893359198 /nfs/dbraw/zinc/35/91/98/893359198.db2.gz SZXGWWZAFGATFS-UHFFFAOYSA-N 1 2 284.360 -1.303 20 0 CAADLO CNC(=O)C[N@@H+](C)CCNC(=O)C1(C(=O)NC)CCC1 ZINC001492824211 893359216 /nfs/dbraw/zinc/35/92/16/893359216.db2.gz SZXGWWZAFGATFS-UHFFFAOYSA-N 1 2 284.360 -1.303 20 0 CAADLO COc1ncnc(OC)c1C(=O)NCC[N@H+](C)CC(N)=O ZINC001492894759 893359740 /nfs/dbraw/zinc/35/97/40/893359740.db2.gz NSDSSBYZUMHPNY-UHFFFAOYSA-N 1 2 297.315 -1.359 20 0 CAADLO COc1ncnc(OC)c1C(=O)NCC[N@@H+](C)CC(N)=O ZINC001492894759 893359758 /nfs/dbraw/zinc/35/97/58/893359758.db2.gz NSDSSBYZUMHPNY-UHFFFAOYSA-N 1 2 297.315 -1.359 20 0 CAADLO CC[N@H+](CCNC(=O)C1CC1)CC(=O)N1CCNC(=O)C1 ZINC001492901810 893360356 /nfs/dbraw/zinc/36/03/56/893360356.db2.gz UBJOVYAMUPABMD-UHFFFAOYSA-N 1 2 296.371 -1.207 20 0 CAADLO CC[N@@H+](CCNC(=O)C1CC1)CC(=O)N1CCNC(=O)C1 ZINC001492901810 893360376 /nfs/dbraw/zinc/36/03/76/893360376.db2.gz UBJOVYAMUPABMD-UHFFFAOYSA-N 1 2 296.371 -1.207 20 0 CAADLO CN(C(=O)C[N@H+](C)CCNC(=O)CCNC(N)=O)C1CC1 ZINC001492850499 893363409 /nfs/dbraw/zinc/36/34/09/893363409.db2.gz ZCWHUYRXOUQIIE-UHFFFAOYSA-N 1 2 299.375 -1.286 20 0 CAADLO CN(C(=O)C[N@@H+](C)CCNC(=O)CCNC(N)=O)C1CC1 ZINC001492850499 893363429 /nfs/dbraw/zinc/36/34/29/893363429.db2.gz ZCWHUYRXOUQIIE-UHFFFAOYSA-N 1 2 299.375 -1.286 20 0 CAADLO CO[C@H](C)C(=O)NC[C@H]1CCC[N@@H+]1CC(=O)NC(N)=O ZINC001493081658 893373311 /nfs/dbraw/zinc/37/33/11/893373311.db2.gz BICNJLCKGSOEPW-RKDXNWHRSA-N 1 2 286.332 -1.203 20 0 CAADLO CO[C@H](C)C(=O)NC[C@H]1CCC[N@H+]1CC(=O)NC(N)=O ZINC001493081658 893373328 /nfs/dbraw/zinc/37/33/28/893373328.db2.gz BICNJLCKGSOEPW-RKDXNWHRSA-N 1 2 286.332 -1.203 20 0 CAADLO CCNC(=O)CC(=O)N1CC[NH+](CCNC(C)=O)CC1 ZINC001493140128 893374378 /nfs/dbraw/zinc/37/43/78/893374378.db2.gz KYRMAGHEUPXENW-UHFFFAOYSA-N 1 2 284.360 -1.207 20 0 CAADLO NC(=O)C(=O)NC[C@@H]1CCC[N@@H+]1CC(=O)NCC1CCC1 ZINC001493134438 893375020 /nfs/dbraw/zinc/37/50/20/893375020.db2.gz WHXLECVGQHQJPR-NSHDSACASA-N 1 2 296.371 -1.031 20 0 CAADLO NC(=O)C(=O)NC[C@@H]1CCC[N@H+]1CC(=O)NCC1CCC1 ZINC001493134438 893375038 /nfs/dbraw/zinc/37/50/38/893375038.db2.gz WHXLECVGQHQJPR-NSHDSACASA-N 1 2 296.371 -1.031 20 0 CAADLO NC(=O)C(=O)NC[C@H]1CCC[N@@H+]1CC(=O)N1CCOCC1 ZINC001493129410 893375620 /nfs/dbraw/zinc/37/56/20/893375620.db2.gz BANLYFJBZNNQBF-SNVBAGLBSA-N 1 2 298.343 -2.089 20 0 CAADLO NC(=O)C(=O)NC[C@H]1CCC[N@H+]1CC(=O)N1CCOCC1 ZINC001493129410 893375637 /nfs/dbraw/zinc/37/56/37/893375637.db2.gz BANLYFJBZNNQBF-SNVBAGLBSA-N 1 2 298.343 -2.089 20 0 CAADLO NC(=O)NC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)c1ccn[nH]1 ZINC001493081138 893377005 /nfs/dbraw/zinc/37/70/05/893377005.db2.gz PSOKGSCAUBYUOY-QMMMGPOBSA-N 1 2 294.315 -1.201 20 0 CAADLO NC(=O)NC(=O)C[N@H+]1CCC[C@H]1CNC(=O)c1ccn[nH]1 ZINC001493081138 893377025 /nfs/dbraw/zinc/37/70/25/893377025.db2.gz PSOKGSCAUBYUOY-QMMMGPOBSA-N 1 2 294.315 -1.201 20 0 CAADLO CO[C@@H](C)C(=O)NC[C@@H]1CCC[N@@H+]1CC(=O)NC(N)=O ZINC001493081654 893379044 /nfs/dbraw/zinc/37/90/44/893379044.db2.gz BICNJLCKGSOEPW-IUCAKERBSA-N 1 2 286.332 -1.203 20 0 CAADLO CO[C@@H](C)C(=O)NC[C@@H]1CCC[N@H+]1CC(=O)NC(N)=O ZINC001493081654 893379063 /nfs/dbraw/zinc/37/90/63/893379063.db2.gz BICNJLCKGSOEPW-IUCAKERBSA-N 1 2 286.332 -1.203 20 0 CAADLO CO[C@H](C)C(=O)NC[C@@H]1CCC[N@@H+]1CC(=O)NC(N)=O ZINC001493081650 893379260 /nfs/dbraw/zinc/37/92/60/893379260.db2.gz BICNJLCKGSOEPW-BDAKNGLRSA-N 1 2 286.332 -1.203 20 0 CAADLO CO[C@H](C)C(=O)NC[C@@H]1CCC[N@H+]1CC(=O)NC(N)=O ZINC001493081650 893379281 /nfs/dbraw/zinc/37/92/81/893379281.db2.gz BICNJLCKGSOEPW-BDAKNGLRSA-N 1 2 286.332 -1.203 20 0 CAADLO C[C@@H](c1nnnn1C)[N@@H+]1CC[C@H](CNC(=O)C(N)=O)C1 ZINC001493228277 893382185 /nfs/dbraw/zinc/38/21/85/893382185.db2.gz BKEGKNQPVODHDU-JGVFFNPUSA-N 1 2 281.320 -1.806 20 0 CAADLO C[C@@H](c1nnnn1C)[N@H+]1CC[C@H](CNC(=O)C(N)=O)C1 ZINC001493228277 893382194 /nfs/dbraw/zinc/38/21/94/893382194.db2.gz BKEGKNQPVODHDU-JGVFFNPUSA-N 1 2 281.320 -1.806 20 0 CAADLO C[C@@H](c1nnnn1C)[N@@H+]1CC[C@@H](CNC(=O)C(N)=O)C1 ZINC001493228279 893382629 /nfs/dbraw/zinc/38/26/29/893382629.db2.gz BKEGKNQPVODHDU-YUMQZZPRSA-N 1 2 281.320 -1.806 20 0 CAADLO C[C@@H](c1nnnn1C)[N@H+]1CC[C@@H](CNC(=O)C(N)=O)C1 ZINC001493228279 893382651 /nfs/dbraw/zinc/38/26/51/893382651.db2.gz BKEGKNQPVODHDU-YUMQZZPRSA-N 1 2 281.320 -1.806 20 0 CAADLO CNC(=O)C[N@H+](CCNC(=O)Cc1nc[nH]n1)C1CC1 ZINC001493438820 893397104 /nfs/dbraw/zinc/39/71/04/893397104.db2.gz ULLJBLAZAYTMBX-UHFFFAOYSA-N 1 2 280.332 -1.326 20 0 CAADLO CNC(=O)C[N@@H+](CCNC(=O)Cc1nc[nH]n1)C1CC1 ZINC001493438820 893397121 /nfs/dbraw/zinc/39/71/21/893397121.db2.gz ULLJBLAZAYTMBX-UHFFFAOYSA-N 1 2 280.332 -1.326 20 0 CAADLO CC(=O)NCC(=O)N(C)CC[NH2+]Cc1cnon1 ZINC001493461902 893397676 /nfs/dbraw/zinc/39/76/76/893397676.db2.gz VXLLEQKPDYKOMV-UHFFFAOYSA-N 1 2 255.278 -1.246 20 0 CAADLO CS(=O)(=O)NCC[N@H+](CCNC(=O)C(N)=O)C1CC1 ZINC001493408335 893398042 /nfs/dbraw/zinc/39/80/42/893398042.db2.gz XMHZLDQEWVWSBG-UHFFFAOYSA-N 1 2 292.361 -2.399 20 0 CAADLO CS(=O)(=O)NCC[N@@H+](CCNC(=O)C(N)=O)C1CC1 ZINC001493408335 893398060 /nfs/dbraw/zinc/39/80/60/893398060.db2.gz XMHZLDQEWVWSBG-UHFFFAOYSA-N 1 2 292.361 -2.399 20 0 CAADLO Cc1noc(C[NH2+]CCN(C)C(=O)CC(N)=O)n1 ZINC001493502324 893399033 /nfs/dbraw/zinc/39/90/33/893399033.db2.gz CFTJUAUICRVMPF-UHFFFAOYSA-N 1 2 255.278 -1.199 20 0 CAADLO CN(CC[NH2+]Cc1csnn1)C(=O)[C@H]1CNC(=O)N1 ZINC001493674953 893412138 /nfs/dbraw/zinc/41/21/38/893412138.db2.gz QYHHHMBSBUEZTG-MRVPVSSYSA-N 1 2 284.345 -1.233 20 0 CAADLO NC(=O)C(=O)N[C@H](CNC(=O)Cc1[nH]cc[nH+]1)C1CC1 ZINC001493670283 893412222 /nfs/dbraw/zinc/41/22/22/893412222.db2.gz FHRKNMLOPCHFOA-MRVPVSSYSA-N 1 2 279.300 -1.552 20 0 CAADLO COCCOCC[NH+]1CC(NC(=O)CC(N)=O)C1 ZINC001494363712 893429011 /nfs/dbraw/zinc/42/90/11/893429011.db2.gz YAWKFMZYAYELKA-UHFFFAOYSA-N 1 2 259.306 -1.675 20 0 CAADLO CNS(=O)(=O)CCC(=O)NC1C[NH+](CCOC)C1 ZINC001494386399 893433786 /nfs/dbraw/zinc/43/37/86/893433786.db2.gz IFRZVJATFANVLT-UHFFFAOYSA-N 1 2 279.362 -1.628 20 0 CAADLO CN(CC[NH2+][C@@H]1CCCNC1=O)C(=O)Cc1ncn[nH]1 ZINC001493758337 893414942 /nfs/dbraw/zinc/41/49/42/893414942.db2.gz GRAJYEPUQBSLHS-SECBINFHSA-N 1 2 280.332 -1.326 20 0 CAADLO CN(CCNCc1nc(=O)n(C)[nH]1)C(=O)C[NH+]1CCCC1 ZINC001493793977 893417848 /nfs/dbraw/zinc/41/78/48/893417848.db2.gz QEBMXWWNDUQKEV-UHFFFAOYSA-N 1 2 296.375 -1.248 20 0 CAADLO CCCN(C(=O)[C@H]1COC(=O)N1)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001493946209 893418005 /nfs/dbraw/zinc/41/80/05/893418005.db2.gz FZSJEWUQYPVYMK-VHSXEESVSA-N 1 2 298.343 -1.107 20 0 CAADLO CCCN(C(=O)[C@H]1COC(=O)N1)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001493946209 893418009 /nfs/dbraw/zinc/41/80/09/893418009.db2.gz FZSJEWUQYPVYMK-VHSXEESVSA-N 1 2 298.343 -1.107 20 0 CAADLO CN(CC[NH2+]Cc1nc(=O)n(C)[nH]1)C(=O)CCCC(N)=O ZINC001493809817 893418952 /nfs/dbraw/zinc/41/89/52/893418952.db2.gz LVBRIVITYPQBKQ-UHFFFAOYSA-N 1 2 298.347 -1.688 20 0 CAADLO Cn1c[nH+]cc1CC(=O)N[C@H]1C[C@H](NC(=O)CC(N)=O)C1 ZINC001494011976 893422361 /nfs/dbraw/zinc/42/23/61/893422361.db2.gz HRJFCBOWPCNQCM-KYZUINATSA-N 1 2 293.327 -1.399 20 0 CAADLO NC(=O)C(=O)NC[C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001494307730 893424785 /nfs/dbraw/zinc/42/47/85/893424785.db2.gz QWSJLGODYMGFRT-VIFPVBQESA-N 1 2 293.327 -1.208 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CCC[C@H](NC(=O)C(=O)NCC2CC2)C1 ZINC001494327143 893425825 /nfs/dbraw/zinc/42/58/25/893425825.db2.gz UNGQSHNWDDVTOX-KOLCDFICSA-N 1 2 296.371 -1.033 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CCC[C@H](NC(=O)C(=O)NCC2CC2)C1 ZINC001494327143 893425829 /nfs/dbraw/zinc/42/58/29/893425829.db2.gz UNGQSHNWDDVTOX-KOLCDFICSA-N 1 2 296.371 -1.033 20 0 CAADLO CNC(=O)C[N@H+](C)C[C@H]1CCN(C(=O)Cc2ncn[nH]2)C1 ZINC001494169573 893426055 /nfs/dbraw/zinc/42/60/55/893426055.db2.gz LCHZWXOAANHLRW-SNVBAGLBSA-N 1 2 294.359 -1.127 20 0 CAADLO CNC(=O)C[N@@H+](C)C[C@H]1CCN(C(=O)Cc2ncn[nH]2)C1 ZINC001494169573 893426063 /nfs/dbraw/zinc/42/60/63/893426063.db2.gz LCHZWXOAANHLRW-SNVBAGLBSA-N 1 2 294.359 -1.127 20 0 CAADLO NC(=O)CC(=O)NC1C[NH+](CCCN2CCCC2=O)C1 ZINC001494362505 893428701 /nfs/dbraw/zinc/42/87/01/893428701.db2.gz ODFWDCPOTJINOV-UHFFFAOYSA-N 1 2 282.344 -1.325 20 0 CAADLO COC[C@H](O)C[NH+]1CC(NC(=O)c2cn[nH]c2)C1 ZINC001494345609 893429320 /nfs/dbraw/zinc/42/93/20/893429320.db2.gz DIXJGBMFBDNHCF-SNVBAGLBSA-N 1 2 254.290 -1.169 20 0 CAADLO CC[C@]1(C(=O)NC2C[NH+](C[C@H](O)COC)C2)CCNC1=O ZINC001494401354 893431766 /nfs/dbraw/zinc/43/17/66/893431766.db2.gz HZDYRVQPECYKAF-FZMZJTMJSA-N 1 2 299.371 -1.290 20 0 CAADLO CCS(=O)(=O)N[C@H](C)C(=O)NC1C[NH+](CCO)C1 ZINC001494389717 893432122 /nfs/dbraw/zinc/43/21/22/893432122.db2.gz RIOLQDPOPPJFHG-MRVPVSSYSA-N 1 2 279.362 -1.893 20 0 CAADLO CCS(=O)(=O)N[C@@H](C)C(=O)NC1C[NH+](CCO)C1 ZINC001494389718 893433484 /nfs/dbraw/zinc/43/34/84/893433484.db2.gz RIOLQDPOPPJFHG-QMMMGPOBSA-N 1 2 279.362 -1.893 20 0 CAADLO CNC(=O)CN1CC(NC(=O)CCn2cc[nH+]c2)C1 ZINC001494428090 893434908 /nfs/dbraw/zinc/43/49/08/893434908.db2.gz OFUFJQFXCCXPGD-UHFFFAOYSA-N 1 2 265.317 -1.180 20 0 CAADLO Cn1ccc(C(=O)NC2C[NH+](CCOCCO)C2)cc1=O ZINC001494406202 893434993 /nfs/dbraw/zinc/43/49/93/893434993.db2.gz JJVNSRDPGLOHHY-UHFFFAOYSA-N 1 2 295.339 -1.192 20 0 CAADLO CN1CC[C@H](C(=O)NC2C[NH+](CCOCCO)C2)CC1=O ZINC001494407325 893435106 /nfs/dbraw/zinc/43/51/06/893435106.db2.gz QNLWOFPTHOUBMY-NSHDSACASA-N 1 2 299.371 -1.336 20 0 CAADLO CN1CC[C@@H](C(=O)NC2C[NH+](CCOCCO)C2)CC1=O ZINC001494407323 893436223 /nfs/dbraw/zinc/43/62/23/893436223.db2.gz QNLWOFPTHOUBMY-LLVKDONJSA-N 1 2 299.371 -1.336 20 0 CAADLO CNC(=O)C1(C(=O)NC2C[NH+](CCO)C2)CCC1 ZINC001494488431 893437648 /nfs/dbraw/zinc/43/76/48/893437648.db2.gz UHZHEDJEJYOIRL-UHFFFAOYSA-N 1 2 255.318 -1.305 20 0 CAADLO CCOCC[NH+]1CC(NC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001494452719 893437720 /nfs/dbraw/zinc/43/77/20/893437720.db2.gz JRFNWMBIPSGOMQ-ZJUUUORDSA-N 1 2 255.318 -1.055 20 0 CAADLO C[C@@H](C(=O)NC1C[NH+](CCOCCO)C1)[C@@H]1CCC(=O)N1 ZINC001494452223 893437771 /nfs/dbraw/zinc/43/77/71/893437771.db2.gz LQVWMVPWOOJUPO-PWSUYJOCSA-N 1 2 299.371 -1.290 20 0 CAADLO Cn1ncc(CCC(=O)NC2C[NH+](CCO)C2)n1 ZINC001494451843 893438560 /nfs/dbraw/zinc/43/85/60/893438560.db2.gz DLBLZWHKLXALPZ-UHFFFAOYSA-N 1 2 253.306 -1.460 20 0 CAADLO O=C(CCn1cnccc1=O)NC1C[NH+](CCCO)C1 ZINC001494474115 893439799 /nfs/dbraw/zinc/43/97/99/893439799.db2.gz XQKGXFBYVIJTOK-UHFFFAOYSA-N 1 2 280.328 -1.184 20 0 CAADLO CCNC(=O)CC(=O)NCC1C[NH+](CC(=O)NC(N)=O)C1 ZINC001494545957 893442739 /nfs/dbraw/zinc/44/27/39/893442739.db2.gz NMKDJYNGLMPECY-UHFFFAOYSA-N 1 2 299.331 -2.245 20 0 CAADLO Cc1cnn(CC(=O)NCC2C[NH+](CC(N)=O)C2)c1 ZINC001494528583 893442825 /nfs/dbraw/zinc/44/28/25/893442825.db2.gz YYVYCIGLCMGIFN-UHFFFAOYSA-N 1 2 265.317 -1.275 20 0 CAADLO CNC(=O)NC(=O)[C@H](C)[NH+]1CC(CNC(=O)COC)C1 ZINC001494515406 893443010 /nfs/dbraw/zinc/44/30/10/893443010.db2.gz OKXKQHCWCKKHHP-QMMMGPOBSA-N 1 2 286.332 -1.475 20 0 CAADLO CC(=O)NCC(=O)NCC1C[NH+](CC(=O)NC(C)C)C1 ZINC001494516634 893443592 /nfs/dbraw/zinc/44/35/92/893443592.db2.gz BVXMESYNGLMKLO-UHFFFAOYSA-N 1 2 284.360 -1.305 20 0 CAADLO COC[C@H](O)C[NH+]1CC(NC(=O)Cn2cncn2)C1 ZINC001494495653 893443809 /nfs/dbraw/zinc/44/38/09/893443809.db2.gz URZLHHSGENAZEF-SNVBAGLBSA-N 1 2 269.305 -1.914 20 0 CAADLO CCNC(=O)CCC(=O)NCC1C[NH+]([C@@H](C)C(N)=O)C1 ZINC001494534341 893443884 /nfs/dbraw/zinc/44/38/84/893443884.db2.gz VTWNUAHKXPHTJA-VIFPVBQESA-N 1 2 284.360 -1.176 20 0 CAADLO Cc1n[nH]cc1C(=O)NCC1C[NH+](CC(=O)NC(N)=O)C1 ZINC001494575275 893445443 /nfs/dbraw/zinc/44/54/43/893445443.db2.gz BOJNNDNOXJYXPN-UHFFFAOYSA-N 1 2 294.315 -1.425 20 0 CAADLO NC(=O)c1ncn(CC(=O)NCC2C[NH+](CCF)C2)n1 ZINC001494556166 893445859 /nfs/dbraw/zinc/44/58/59/893445859.db2.gz IXGIEPMNHAZYKN-UHFFFAOYSA-N 1 2 284.295 -1.606 20 0 CAADLO COCC(=O)NCCC(=O)NCC1C[NH+](CC(N)=O)C1 ZINC001494558252 893446089 /nfs/dbraw/zinc/44/60/89/893446089.db2.gz YLXGCBPYTAPOQU-UHFFFAOYSA-N 1 2 286.332 -2.328 20 0 CAADLO CNC(=O)C[NH+]1CC(CNC(=O)[C@H](OC)[C@H]2CCOC2)C1 ZINC001494575943 893447254 /nfs/dbraw/zinc/44/72/54/893447254.db2.gz SOAIVSLFJXHALJ-WCQYABFASA-N 1 2 299.371 -1.168 20 0 CAADLO CNC(=O)C[NH+]1CC(CNC(=O)[C@@H](OC)[C@H]2CCOC2)C1 ZINC001494575941 893447719 /nfs/dbraw/zinc/44/77/19/893447719.db2.gz SOAIVSLFJXHALJ-AAEUAGOBSA-N 1 2 299.371 -1.168 20 0 CAADLO CC(C)NC(=O)C[NH+]1CC(CNC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001494594758 893449349 /nfs/dbraw/zinc/44/93/49/893449349.db2.gz UTCLMIIJLNKBHR-MNOVXSKESA-N 1 2 296.371 -1.320 20 0 CAADLO NC(=O)C[NH+]1CC(CNC(=O)C[C@@H]2CCC(=O)N2)C1 ZINC001494602189 893449763 /nfs/dbraw/zinc/44/97/63/893449763.db2.gz CEBJQPNQMOIEMV-VIFPVBQESA-N 1 2 268.317 -1.812 20 0 CAADLO NC(=O)C[NH+]1CC(CNC(=O)C[C@H]2CCC(=O)N2)C1 ZINC001494602188 893450099 /nfs/dbraw/zinc/45/00/99/893450099.db2.gz CEBJQPNQMOIEMV-SECBINFHSA-N 1 2 268.317 -1.812 20 0 CAADLO C[C@@]1(C(=O)NCC2C[NH+](CCO)C2)CCCS1(=O)=O ZINC001494604878 893450612 /nfs/dbraw/zinc/45/06/12/893450612.db2.gz YRVZEPYCJBFPIP-LBPRGKRZSA-N 1 2 290.385 -1.006 20 0 CAADLO CC[C@@H](NC(C)=O)C(=O)NCC1C[NH+](CC(N)=O)C1 ZINC001494597192 893451116 /nfs/dbraw/zinc/45/11/16/893451116.db2.gz MBDJTZYZNAAEEX-SNVBAGLBSA-N 1 2 270.333 -1.566 20 0 CAADLO CNC(=O)C[NH+]1CC(CNC(=O)C(C)(C)CNC(C)=O)C1 ZINC001494602121 893451187 /nfs/dbraw/zinc/45/11/87/893451187.db2.gz ACLOZMAQNONXMJ-UHFFFAOYSA-N 1 2 298.387 -1.057 20 0 CAADLO O=C(CC[C@@H]1NC(=O)NC1=O)NCC1C[NH+](CCF)C1 ZINC001494624869 893451398 /nfs/dbraw/zinc/45/13/98/893451398.db2.gz JXAGEJMSVRBSFL-VIFPVBQESA-N 1 2 286.307 -1.008 20 0 CAADLO C[C@@H](C(N)=O)[NH+]1CC(CNC(=O)[C@@]2(C)CCNC2=O)C1 ZINC001494593383 893451846 /nfs/dbraw/zinc/45/18/46/893451846.db2.gz QXKRESQSLFXXCS-SDBXPKJASA-N 1 2 282.344 -1.566 20 0 CAADLO NC(=O)NCCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@@H]1CCNC1=O ZINC001494683941 893453277 /nfs/dbraw/zinc/45/32/77/893453277.db2.gz QCFSDOBSEIPOAF-LPEHRKFASA-N 1 2 295.343 -1.782 20 0 CAADLO NC(=O)NCCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2[C@@H]1CCNC1=O ZINC001494683941 893453281 /nfs/dbraw/zinc/45/32/81/893453281.db2.gz QCFSDOBSEIPOAF-LPEHRKFASA-N 1 2 295.343 -1.782 20 0 CAADLO CNC(=O)NCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@H](C)C(=O)NC ZINC001494659375 893453551 /nfs/dbraw/zinc/45/35/51/893453551.db2.gz PWSIOSHUYBLCAU-UTLUCORTSA-N 1 2 297.359 -1.665 20 0 CAADLO CNC(=O)NCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2[C@H](C)C(=O)NC ZINC001494659375 893453571 /nfs/dbraw/zinc/45/35/71/893453571.db2.gz PWSIOSHUYBLCAU-UTLUCORTSA-N 1 2 297.359 -1.665 20 0 CAADLO CCNC(=O)CC(=O)N[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001494753111 893457706 /nfs/dbraw/zinc/45/77/06/893457706.db2.gz UAEPMOPHWGUWLS-MRVPVSSYSA-N 1 2 256.306 -1.812 20 0 CAADLO CCNC(=O)CC(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001494753111 893457712 /nfs/dbraw/zinc/45/77/12/893457712.db2.gz UAEPMOPHWGUWLS-MRVPVSSYSA-N 1 2 256.306 -1.812 20 0 CAADLO CCC[C@@H](NC(N)=O)C(=O)N[C@H]1CC[N@@H+]([C@H](C)C(N)=O)C1 ZINC001494735576 893458204 /nfs/dbraw/zinc/45/82/04/893458204.db2.gz UQBJMXWOFQYMRZ-KXUCPTDWSA-N 1 2 299.375 -1.112 20 0 CAADLO CCC[C@@H](NC(N)=O)C(=O)N[C@H]1CC[N@H+]([C@H](C)C(N)=O)C1 ZINC001494735576 893458210 /nfs/dbraw/zinc/45/82/10/893458210.db2.gz UQBJMXWOFQYMRZ-KXUCPTDWSA-N 1 2 299.375 -1.112 20 0 CAADLO COC[C@@H](O)C[N@@H+]1CC[C@H](NC(=O)c2nc[nH]n2)C1 ZINC001494728692 893458440 /nfs/dbraw/zinc/45/84/40/893458440.db2.gz JHWLDFOOOZMFHG-IUCAKERBSA-N 1 2 269.305 -1.384 20 0 CAADLO COC[C@@H](O)C[N@H+]1CC[C@H](NC(=O)c2nc[nH]n2)C1 ZINC001494728692 893458447 /nfs/dbraw/zinc/45/84/47/893458447.db2.gz JHWLDFOOOZMFHG-IUCAKERBSA-N 1 2 269.305 -1.384 20 0 CAADLO CC[C@H](C)NC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)C(N)=O)C1 ZINC001494841068 893462301 /nfs/dbraw/zinc/46/23/01/893462301.db2.gz DWCLOHKHWXKPPX-UWVGGRQHSA-N 1 2 284.360 -1.081 20 0 CAADLO CC[C@H](C)NC(=O)C[N@H+]1CC[C@H](N(C)C(=O)C(N)=O)C1 ZINC001494841068 893462310 /nfs/dbraw/zinc/46/23/10/893462310.db2.gz DWCLOHKHWXKPPX-UWVGGRQHSA-N 1 2 284.360 -1.081 20 0 CAADLO CC[C@@H](C)NC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)C(N)=O)C1 ZINC001494841070 893462381 /nfs/dbraw/zinc/46/23/81/893462381.db2.gz DWCLOHKHWXKPPX-ZJUUUORDSA-N 1 2 284.360 -1.081 20 0 CAADLO CC[C@@H](C)NC(=O)C[N@H+]1CC[C@H](N(C)C(=O)C(N)=O)C1 ZINC001494841070 893462388 /nfs/dbraw/zinc/46/23/88/893462388.db2.gz DWCLOHKHWXKPPX-ZJUUUORDSA-N 1 2 284.360 -1.081 20 0 CAADLO CC[C@H](C)NC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)C(N)=O)C1 ZINC001494841069 893463152 /nfs/dbraw/zinc/46/31/52/893463152.db2.gz DWCLOHKHWXKPPX-VHSXEESVSA-N 1 2 284.360 -1.081 20 0 CAADLO CC[C@H](C)NC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)C(N)=O)C1 ZINC001494841069 893463161 /nfs/dbraw/zinc/46/31/61/893463161.db2.gz DWCLOHKHWXKPPX-VHSXEESVSA-N 1 2 284.360 -1.081 20 0 CAADLO CCCNC(=O)C[N@@H+]1CC[C@@H](N(CC)C(=O)C(N)=O)C1 ZINC001494911950 893464595 /nfs/dbraw/zinc/46/45/95/893464595.db2.gz XYJPDOLFJNQVQG-SNVBAGLBSA-N 1 2 284.360 -1.079 20 0 CAADLO CCCNC(=O)C[N@H+]1CC[C@@H](N(CC)C(=O)C(N)=O)C1 ZINC001494911950 893464608 /nfs/dbraw/zinc/46/46/08/893464608.db2.gz XYJPDOLFJNQVQG-SNVBAGLBSA-N 1 2 284.360 -1.079 20 0 CAADLO CCCNC(=O)C[N@@H+]1CC[C@H](N(CC)C(=O)C(N)=O)C1 ZINC001494911949 893465834 /nfs/dbraw/zinc/46/58/34/893465834.db2.gz XYJPDOLFJNQVQG-JTQLQIEISA-N 1 2 284.360 -1.079 20 0 CAADLO CCCNC(=O)C[N@H+]1CC[C@H](N(CC)C(=O)C(N)=O)C1 ZINC001494911949 893465836 /nfs/dbraw/zinc/46/58/36/893465836.db2.gz XYJPDOLFJNQVQG-JTQLQIEISA-N 1 2 284.360 -1.079 20 0 CAADLO C[C@H](CNC(=O)Cc1[nH]cc[nH+]1)NC(=O)[C@@H]1COCCO1 ZINC001494996906 893468418 /nfs/dbraw/zinc/46/84/18/893468418.db2.gz JFDJOVPCPMCNBY-ZJUUUORDSA-N 1 2 296.327 -1.012 20 0 CAADLO CC[C@@H](CNC(=O)C(N)=O)[NH2+]Cc1nnnn1C(C)(C)C ZINC001495049148 893473246 /nfs/dbraw/zinc/47/32/46/893473246.db2.gz HQSJMGIUHDYZCK-QMMMGPOBSA-N 1 2 297.363 -1.102 20 0 CAADLO NC(=O)CC(=O)N1CC[C@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001495162022 893476759 /nfs/dbraw/zinc/47/67/59/893476759.db2.gz BPHPUFXUVWCTKC-SECBINFHSA-N 1 2 293.327 -1.208 20 0 CAADLO NC(=O)CC(=O)N1CC[C@@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001495162023 893476934 /nfs/dbraw/zinc/47/69/34/893476934.db2.gz BPHPUFXUVWCTKC-VIFPVBQESA-N 1 2 293.327 -1.208 20 0 CAADLO NC(=O)C(=O)N1CC[C@@H](CNC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001495289986 893479219 /nfs/dbraw/zinc/47/92/19/893479219.db2.gz KTDSJEJGWWISHW-VIFPVBQESA-N 1 2 293.327 -1.208 20 0 CAADLO CC(=O)NCC(=O)NCCN(C)C(=O)Cc1c[nH+]cn1C ZINC001495809905 893487798 /nfs/dbraw/zinc/48/77/98/893487798.db2.gz AFGXYNJWJMPBCG-UHFFFAOYSA-N 1 2 295.343 -1.327 20 0 CAADLO CCC(=O)NCC(=O)NC[C@H]1C[N@H+](CCOC)CCO1 ZINC001495836938 893492060 /nfs/dbraw/zinc/49/20/60/893492060.db2.gz IITXIVITKZMCMF-NSHDSACASA-N 1 2 287.360 -1.024 20 0 CAADLO CCC(=O)NCC(=O)NC[C@H]1C[N@@H+](CCOC)CCO1 ZINC001495836938 893492071 /nfs/dbraw/zinc/49/20/71/893492071.db2.gz IITXIVITKZMCMF-NSHDSACASA-N 1 2 287.360 -1.024 20 0 CAADLO CCC(=O)NCC(=O)NC[C@@H]1C[N@H+](CCOC)CCO1 ZINC001495836936 893492391 /nfs/dbraw/zinc/49/23/91/893492391.db2.gz IITXIVITKZMCMF-LLVKDONJSA-N 1 2 287.360 -1.024 20 0 CAADLO CCC(=O)NCC(=O)NC[C@@H]1C[N@@H+](CCOC)CCO1 ZINC001495836936 893492394 /nfs/dbraw/zinc/49/23/94/893492394.db2.gz IITXIVITKZMCMF-LLVKDONJSA-N 1 2 287.360 -1.024 20 0 CAADLO O=C(CNC(=O)C1CC1)NC[C@@H]1C[N@H+](CCO)CCO1 ZINC001495825687 893493041 /nfs/dbraw/zinc/49/30/41/893493041.db2.gz MVEYCWBTXPSIIN-LLVKDONJSA-N 1 2 285.344 -1.678 20 0 CAADLO O=C(CNC(=O)C1CC1)NC[C@@H]1C[N@@H+](CCO)CCO1 ZINC001495825687 893493049 /nfs/dbraw/zinc/49/30/49/893493049.db2.gz MVEYCWBTXPSIIN-LLVKDONJSA-N 1 2 285.344 -1.678 20 0 CAADLO O=C(NCC1CC1)C(=O)NC[C@@H]1C[N@H+](CCO)CCO1 ZINC001495874908 893494318 /nfs/dbraw/zinc/49/43/18/893494318.db2.gz QGFZCFXVUQMSPO-LLVKDONJSA-N 1 2 285.344 -1.678 20 0 CAADLO O=C(NCC1CC1)C(=O)NC[C@@H]1C[N@@H+](CCO)CCO1 ZINC001495874908 893494326 /nfs/dbraw/zinc/49/43/26/893494326.db2.gz QGFZCFXVUQMSPO-LLVKDONJSA-N 1 2 285.344 -1.678 20 0 CAADLO O=C(CN1C(=O)CCC1=O)NC[C@H]1C[N@H+](CCO)CCO1 ZINC001495881906 893495114 /nfs/dbraw/zinc/49/51/14/893495114.db2.gz JCUHBECYUMZJBO-JTQLQIEISA-N 1 2 299.327 -2.055 20 0 CAADLO O=C(CN1C(=O)CCC1=O)NC[C@H]1C[N@@H+](CCO)CCO1 ZINC001495881906 893495116 /nfs/dbraw/zinc/49/51/16/893495116.db2.gz JCUHBECYUMZJBO-JTQLQIEISA-N 1 2 299.327 -2.055 20 0 CAADLO O=C(CN1C(=O)CCC1=O)NC[C@@H]1C[N@H+](CCO)CCO1 ZINC001495881908 893495245 /nfs/dbraw/zinc/49/52/45/893495245.db2.gz JCUHBECYUMZJBO-SNVBAGLBSA-N 1 2 299.327 -2.055 20 0 CAADLO O=C(CN1C(=O)CCC1=O)NC[C@@H]1C[N@@H+](CCO)CCO1 ZINC001495881908 893495249 /nfs/dbraw/zinc/49/52/49/893495249.db2.gz JCUHBECYUMZJBO-SNVBAGLBSA-N 1 2 299.327 -2.055 20 0 CAADLO CCOCC[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001495870231 893495264 /nfs/dbraw/zinc/49/52/64/893495264.db2.gz IITMEIXNQUWTFC-TUAOUCFPSA-N 1 2 299.371 -1.039 20 0 CAADLO CCOCC[N@H+]1CCO[C@@H](CNC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001495870231 893495267 /nfs/dbraw/zinc/49/52/67/893495267.db2.gz IITMEIXNQUWTFC-TUAOUCFPSA-N 1 2 299.371 -1.039 20 0 CAADLO CN(CCNC(=O)c1cn(C)nn1)C(=O)Cn1cc[nH+]c1 ZINC001495994120 893498286 /nfs/dbraw/zinc/49/82/86/893498286.db2.gz UKCOPNGICUJBLY-UHFFFAOYSA-N 1 2 291.315 -1.100 20 0 CAADLO CN(CCNC(=O)c1cn(C)nn1)C(=O)Cc1c[nH+]c[nH]1 ZINC001495992800 893499949 /nfs/dbraw/zinc/49/99/49/893499949.db2.gz FRYFQMYBTKHKDP-UHFFFAOYSA-N 1 2 291.315 -1.031 20 0 CAADLO C[C@@H](C[NH2+]Cc1ncccn1)N(C)C(=O)C(N)=O ZINC001496150481 893509112 /nfs/dbraw/zinc/50/91/12/893509112.db2.gz QZXKHVORVWHLFO-QMMMGPOBSA-N 1 2 251.290 -1.102 20 0 CAADLO CN(CCNC(=O)C(N)=O)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001496491770 893521862 /nfs/dbraw/zinc/52/18/62/893521862.db2.gz PGLOUTVPOFPABZ-VIFPVBQESA-N 1 2 293.327 -1.495 20 0 CAADLO CN(CCNC(=O)Cc1[nH]cc[nH+]1)C(=O)[C@H]1CNC(=O)N1 ZINC001496461795 893522221 /nfs/dbraw/zinc/52/22/21/893522221.db2.gz TYBPYBSFUAKJOO-MRVPVSSYSA-N 1 2 294.315 -1.792 20 0 CAADLO CC(=O)NCC(=O)N(C)CC[N@H+](C)CC(=O)NC1CC1 ZINC001496654048 893523183 /nfs/dbraw/zinc/52/31/83/893523183.db2.gz ZBZSEWUIURHCGP-UHFFFAOYSA-N 1 2 284.360 -1.209 20 0 CAADLO CC(=O)NCC(=O)N(C)CC[N@@H+](C)CC(=O)NC1CC1 ZINC001496654048 893523199 /nfs/dbraw/zinc/52/31/99/893523199.db2.gz ZBZSEWUIURHCGP-UHFFFAOYSA-N 1 2 284.360 -1.209 20 0 CAADLO CN(CC[N@H+](C)CC(N)=O)C(=O)CN1CCCC1=O ZINC001496652254 893523609 /nfs/dbraw/zinc/52/36/09/893523609.db2.gz JEMBZXIWMSTEKC-UHFFFAOYSA-N 1 2 270.333 -1.516 20 0 CAADLO CN(CC[N@@H+](C)CC(N)=O)C(=O)CN1CCCC1=O ZINC001496652254 893523623 /nfs/dbraw/zinc/52/36/23/893523623.db2.gz JEMBZXIWMSTEKC-UHFFFAOYSA-N 1 2 270.333 -1.516 20 0 CAADLO CN(CC[N@H+](C)CC(N)=O)C(=O)[C@@H]1CC[C@H]1C(N)=O ZINC001496757369 893527491 /nfs/dbraw/zinc/52/74/91/893527491.db2.gz DLHXEGZIJMNIFF-RKDXNWHRSA-N 1 2 270.333 -1.627 20 0 CAADLO CN(CC[N@@H+](C)CC(N)=O)C(=O)[C@@H]1CC[C@H]1C(N)=O ZINC001496757369 893527507 /nfs/dbraw/zinc/52/75/07/893527507.db2.gz DLHXEGZIJMNIFF-RKDXNWHRSA-N 1 2 270.333 -1.627 20 0 CAADLO CN(CC[N@H+](C)CC(=O)NC1CC1)C(=O)[C@@H]1CNC(=O)N1 ZINC001496770471 893527560 /nfs/dbraw/zinc/52/75/60/893527560.db2.gz HMBHTSHIZQIPAX-JTQLQIEISA-N 1 2 297.359 -1.663 20 0 CAADLO CN(CC[N@@H+](C)CC(=O)NC1CC1)C(=O)[C@@H]1CNC(=O)N1 ZINC001496770471 893527578 /nfs/dbraw/zinc/52/75/78/893527578.db2.gz HMBHTSHIZQIPAX-JTQLQIEISA-N 1 2 297.359 -1.663 20 0 CAADLO CN(CC[N@H+](C)CC(=O)NCC1CC1)C(=O)CC(N)=O ZINC001496677287 893527705 /nfs/dbraw/zinc/52/77/05/893527705.db2.gz VEFGCEVUCARFLP-UHFFFAOYSA-N 1 2 284.360 -1.222 20 0 CAADLO CN(CC[N@@H+](C)CC(=O)NCC1CC1)C(=O)CC(N)=O ZINC001496677287 893527719 /nfs/dbraw/zinc/52/77/19/893527719.db2.gz VEFGCEVUCARFLP-UHFFFAOYSA-N 1 2 284.360 -1.222 20 0 CAADLO CCNC(=O)C[N@H+](C)CCN(C)C(=O)[C@@H]1CC(=O)N(C)C1 ZINC001496713502 893529653 /nfs/dbraw/zinc/52/96/53/893529653.db2.gz DOCFEQDTTJGCDK-LLVKDONJSA-N 1 2 298.387 -1.009 20 0 CAADLO CCNC(=O)C[N@@H+](C)CCN(C)C(=O)[C@@H]1CC(=O)N(C)C1 ZINC001496713502 893529669 /nfs/dbraw/zinc/52/96/69/893529669.db2.gz DOCFEQDTTJGCDK-LLVKDONJSA-N 1 2 298.387 -1.009 20 0 CAADLO CN(CC[N@H+](C)CC(N)=O)C(=O)[C@@H]1CC[C@@H]1C(N)=O ZINC001496757361 893529755 /nfs/dbraw/zinc/52/97/55/893529755.db2.gz DLHXEGZIJMNIFF-DTWKUNHWSA-N 1 2 270.333 -1.627 20 0 CAADLO CN(CC[N@@H+](C)CC(N)=O)C(=O)[C@@H]1CC[C@@H]1C(N)=O ZINC001496757361 893529776 /nfs/dbraw/zinc/52/97/76/893529776.db2.gz DLHXEGZIJMNIFF-DTWKUNHWSA-N 1 2 270.333 -1.627 20 0 CAADLO CCNC(=O)C[N@H+](C)CCN(C)C(=O)[C@H]1CC(=O)N(C)C1 ZINC001496713503 893529873 /nfs/dbraw/zinc/52/98/73/893529873.db2.gz DOCFEQDTTJGCDK-NSHDSACASA-N 1 2 298.387 -1.009 20 0 CAADLO CCNC(=O)C[N@@H+](C)CCN(C)C(=O)[C@H]1CC(=O)N(C)C1 ZINC001496713503 893529896 /nfs/dbraw/zinc/52/98/96/893529896.db2.gz DOCFEQDTTJGCDK-NSHDSACASA-N 1 2 298.387 -1.009 20 0 CAADLO CN(CC[N@H+](C)CC(N)=O)C(=O)c1ccn(C)c(=O)c1 ZINC001496730574 893531904 /nfs/dbraw/zinc/53/19/04/893531904.db2.gz WOAWNBMAVHIAGE-UHFFFAOYSA-N 1 2 280.328 -1.126 20 0 CAADLO CN(CC[N@@H+](C)CC(N)=O)C(=O)c1ccn(C)c(=O)c1 ZINC001496730574 893531915 /nfs/dbraw/zinc/53/19/15/893531915.db2.gz WOAWNBMAVHIAGE-UHFFFAOYSA-N 1 2 280.328 -1.126 20 0 CAADLO CN(CC[N@H+](C)CC(=O)NC1CC1)C(=O)[C@H]1CCC(=O)N1 ZINC001496675174 893532291 /nfs/dbraw/zinc/53/22/91/893532291.db2.gz CQVZWYOIDYLPLG-LLVKDONJSA-N 1 2 296.371 -1.066 20 0 CAADLO CN(CC[N@@H+](C)CC(=O)NC1CC1)C(=O)[C@H]1CCC(=O)N1 ZINC001496675174 893532313 /nfs/dbraw/zinc/53/23/13/893532313.db2.gz CQVZWYOIDYLPLG-LLVKDONJSA-N 1 2 296.371 -1.066 20 0 CAADLO C[C@H](C(=O)N(C)CC[N@H+](C)CC(N)=O)N1C(=O)CCC1=O ZINC001496715816 893532730 /nfs/dbraw/zinc/53/27/30/893532730.db2.gz QILZWIHWBGFLBN-SECBINFHSA-N 1 2 298.343 -1.601 20 0 CAADLO C[C@H](C(=O)N(C)CC[N@@H+](C)CC(N)=O)N1C(=O)CCC1=O ZINC001496715816 893532752 /nfs/dbraw/zinc/53/27/52/893532752.db2.gz QILZWIHWBGFLBN-SECBINFHSA-N 1 2 298.343 -1.601 20 0 CAADLO CC(=O)NC(C)(C)C(=O)N(C)CC[N@@H+](C)CC(N)=O ZINC001496805342 893537069 /nfs/dbraw/zinc/53/70/69/893537069.db2.gz UMMPPYUDINRRCS-UHFFFAOYSA-N 1 2 272.349 -1.223 20 0 CAADLO CC(=O)NC(C)(C)C(=O)N(C)CC[N@H+](C)CC(N)=O ZINC001496805342 893537058 /nfs/dbraw/zinc/53/70/58/893537058.db2.gz UMMPPYUDINRRCS-UHFFFAOYSA-N 1 2 272.349 -1.223 20 0 CAADLO CNC(=O)C[N@H+](C)CCN(C)C(=O)C[C@@H]1CC(=O)NC1=O ZINC001496847129 893537502 /nfs/dbraw/zinc/53/75/02/893537502.db2.gz NNTIHVYDXARJCI-VIFPVBQESA-N 1 2 298.343 -1.825 20 0 CAADLO CNC(=O)C[N@@H+](C)CCN(C)C(=O)C[C@@H]1CC(=O)NC1=O ZINC001496847129 893537524 /nfs/dbraw/zinc/53/75/24/893537524.db2.gz NNTIHVYDXARJCI-VIFPVBQESA-N 1 2 298.343 -1.825 20 0 CAADLO CN(CC[N@H+](C)Cc1nc(=O)n(C)[nH]1)C(=O)c1nc[nH]n1 ZINC001496803792 893537879 /nfs/dbraw/zinc/53/78/79/893537879.db2.gz ROVWPIWPHVXNON-UHFFFAOYSA-N 1 2 294.319 -1.570 20 0 CAADLO CN(CC[N@@H+](C)Cc1nc(=O)n(C)[nH]1)C(=O)c1nc[nH]n1 ZINC001496803792 893537898 /nfs/dbraw/zinc/53/78/98/893537898.db2.gz ROVWPIWPHVXNON-UHFFFAOYSA-N 1 2 294.319 -1.570 20 0 CAADLO CN(CC[N@H+](C)CC(N)=O)C(=O)C(=O)NCC1CC1 ZINC001496809760 893538713 /nfs/dbraw/zinc/53/87/13/893538713.db2.gz ODAYYYKUBZSNEV-UHFFFAOYSA-N 1 2 270.333 -1.612 20 0 CAADLO CN(CC[N@@H+](C)CC(N)=O)C(=O)C(=O)NCC1CC1 ZINC001496809760 893538722 /nfs/dbraw/zinc/53/87/22/893538722.db2.gz ODAYYYKUBZSNEV-UHFFFAOYSA-N 1 2 270.333 -1.612 20 0 CAADLO CN(CC[N@H+](C)CC(N)=O)C(=O)c1ccc(C(N)=O)cn1 ZINC001496847655 893538954 /nfs/dbraw/zinc/53/89/54/893538954.db2.gz JEJPHXILHCTXEC-UHFFFAOYSA-N 1 2 293.327 -1.330 20 0 CAADLO CN(CC[N@@H+](C)CC(N)=O)C(=O)c1ccc(C(N)=O)cn1 ZINC001496847655 893538972 /nfs/dbraw/zinc/53/89/72/893538972.db2.gz JEJPHXILHCTXEC-UHFFFAOYSA-N 1 2 293.327 -1.330 20 0 CAADLO CCc1noc(C[NH2+]C[C@@H](O)CNC(=O)COC)n1 ZINC001496925307 893539013 /nfs/dbraw/zinc/53/90/13/893539013.db2.gz UFCVIKWVEYIEGD-MRVPVSSYSA-N 1 2 272.305 -1.155 20 0 CAADLO CC[C@@H](C)NC(=O)C[N@H+](C)CCN(C)C(=O)C(N)=O ZINC001496772936 893539649 /nfs/dbraw/zinc/53/96/49/893539649.db2.gz PKUUDPRTHPTTCH-SECBINFHSA-N 1 2 272.349 -1.223 20 0 CAADLO CC[C@@H](C)NC(=O)C[N@@H+](C)CCN(C)C(=O)C(N)=O ZINC001496772936 893539660 /nfs/dbraw/zinc/53/96/60/893539660.db2.gz PKUUDPRTHPTTCH-SECBINFHSA-N 1 2 272.349 -1.223 20 0 CAADLO CCN(CCNC(=O)Cn1cc[nH+]c1)C(=O)CC(N)=O ZINC001496815401 893539893 /nfs/dbraw/zinc/53/98/93/893539893.db2.gz DDCHCLJAALKLIJ-UHFFFAOYSA-N 1 2 281.316 -1.277 20 0 CAADLO Cc1noc(C[NH2+]C[C@H](O)CNC(=O)c2ccn[nH]2)n1 ZINC001496944095 893546450 /nfs/dbraw/zinc/54/64/50/893546450.db2.gz GZXVFWYYZYFTAQ-QMMMGPOBSA-N 1 2 280.288 -1.018 20 0 CAADLO O=C(NC[C@@H](O)C[NH2+]Cc1cnsn1)[C@H]1CCC(=O)N1 ZINC001496948827 893554281 /nfs/dbraw/zinc/55/42/81/893554281.db2.gz FTWGFULRMZBPHP-DTWKUNHWSA-N 1 2 299.356 -1.617 20 0 CAADLO CCC(=O)NCC(=O)NC[C@H](O)C[NH2+]Cc1nnc(C)o1 ZINC001496954891 893556470 /nfs/dbraw/zinc/55/64/70/893556470.db2.gz KTBDWZZDIMCJEV-SECBINFHSA-N 1 2 299.331 -1.529 20 0 CAADLO Cc1nnc(C[NH2+]C[C@@H](O)CNC(=O)Cc2cc[nH]n2)o1 ZINC001496957622 893556819 /nfs/dbraw/zinc/55/68/19/893556819.db2.gz LCHCJRSWUWHHCW-SNVBAGLBSA-N 1 2 294.315 -1.089 20 0 CAADLO Cc1noc(C[NH2+]C[C@H](O)CNC(=O)[C@H]2CCC(=O)N2)n1 ZINC001496950955 893557080 /nfs/dbraw/zinc/55/70/80/893557080.db2.gz RKDNVEUFNPOPGO-DTWKUNHWSA-N 1 2 297.315 -1.777 20 0 CAADLO CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)c1[nH]nc(C)c1C ZINC001496957924 893563020 /nfs/dbraw/zinc/56/30/20/893563020.db2.gz NYLGWCSXVBRATK-JTQLQIEISA-N 1 2 297.359 -1.157 20 0 CAADLO Cn1nncc1C(=O)NC[C@H](O)C[NH2+]Cc1csnn1 ZINC001496976122 893567067 /nfs/dbraw/zinc/56/70/67/893567067.db2.gz LTTFGOXKXLGOMX-MRVPVSSYSA-N 1 2 297.344 -1.453 20 0 CAADLO NC(=O)CC(=O)NC[C@@H]1CCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001497055029 893592937 /nfs/dbraw/zinc/59/29/37/893592937.db2.gz YTCFGAWPVKKUDA-VIFPVBQESA-N 1 2 293.327 -1.065 20 0 CAADLO NC(=O)CC(=O)NC[C@H]1CCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001497055028 893592962 /nfs/dbraw/zinc/59/29/62/893592962.db2.gz YTCFGAWPVKKUDA-SECBINFHSA-N 1 2 293.327 -1.065 20 0 CAADLO Cc1noc(C[NH2+]C[C@H](O)CNC(=O)c2cnn(C)n2)n1 ZINC001497070244 893599450 /nfs/dbraw/zinc/59/94/50/893599450.db2.gz KBTSVWJSYNELFQ-QMMMGPOBSA-N 1 2 295.303 -1.613 20 0 CAADLO NC(=O)C(=O)NC[C@H]1CCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001497159687 893610847 /nfs/dbraw/zinc/61/08/47/893610847.db2.gz OOKGUQMPOHXNDF-SNVBAGLBSA-N 1 2 293.327 -1.065 20 0 CAADLO NC(=O)C(=O)NC[C@H]1CCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001497159687 893610857 /nfs/dbraw/zinc/61/08/57/893610857.db2.gz OOKGUQMPOHXNDF-SNVBAGLBSA-N 1 2 293.327 -1.065 20 0 CAADLO C[C@@H](CC[NH2+]Cc1nnn(C)n1)NC(=O)c1cn[nH]n1 ZINC001497219962 893614313 /nfs/dbraw/zinc/61/43/13/893614313.db2.gz LSELOLDYUGBUEK-ZETCQYMHSA-N 1 2 279.308 -1.374 20 0 CAADLO CC(=O)NCC(=O)NC/C=C/C[NH2+]Cc1cnn(C)n1 ZINC001497518352 893619104 /nfs/dbraw/zinc/61/91/04/893619104.db2.gz HHBVGXMVDFVMRN-ONEGZZNKSA-N 1 2 280.332 -1.287 20 0 CAADLO Cn1ncnc1C[NH2+]C/C=C/CNC(=O)[C@H]1COCCO1 ZINC001497537021 893624683 /nfs/dbraw/zinc/62/46/83/893624683.db2.gz QCZZUQZAIOBDLG-KXMPLOMGSA-N 1 2 295.343 -1.008 20 0 CAADLO Cn1ncc(C[NH2+]C/C=C/CNC(=O)c2nnn(C)n2)n1 ZINC001497648979 893626548 /nfs/dbraw/zinc/62/65/48/893626548.db2.gz ALVCNFYODZMOMJ-ONEGZZNKSA-N 1 2 291.319 -1.586 20 0 CAADLO CCCn1nnnc1C[NH2+]C/C=C\CNC(=O)C(N)=O ZINC001497669779 893627740 /nfs/dbraw/zinc/62/77/40/893627740.db2.gz OYOAQIFYXRCZEU-ARJAWSKDSA-N 1 2 281.320 -1.670 20 0 CAADLO CCC(=O)N(C)CC[NH+]1CCN(C(=O)CC(N)=O)CC1 ZINC001497839603 893637687 /nfs/dbraw/zinc/63/76/87/893637687.db2.gz UNBUNETWLIHFEF-UHFFFAOYSA-N 1 2 284.360 -1.126 20 0 CAADLO Cc1noc(C[NH2+]C[C@@H](C)NC(=O)[C@@H]2CN(C)C(=O)N2)n1 ZINC001497877355 893637817 /nfs/dbraw/zinc/63/78/17/893637817.db2.gz MTCALNBGKITWGF-APPZFPTMSA-N 1 2 296.331 -1.004 20 0 CAADLO COCc1noc(C[NH2+]C[C@H](C)NC(=O)C(N)=O)n1 ZINC001498102195 893655556 /nfs/dbraw/zinc/65/55/56/893655556.db2.gz YJJYPORYZKGIQC-LURJTMIESA-N 1 2 271.277 -1.704 20 0 CAADLO Cc1noc(C[NH2+]C[C@H](C)NC(=O)c2nnn(C)n2)n1 ZINC001498089186 893655628 /nfs/dbraw/zinc/65/56/28/893655628.db2.gz KFIPTMSRYXRUQH-LURJTMIESA-N 1 2 280.292 -1.190 20 0 CAADLO NC(=O)NCCC(=O)NC1CN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001498177322 893663762 /nfs/dbraw/zinc/66/37/62/893663762.db2.gz ICAHWHJXWOASMM-UHFFFAOYSA-N 1 2 294.315 -1.662 20 0 CAADLO COCC(=O)N[C@H](C)C[N@H+](C)Cc1nc(=O)n(C)[nH]1 ZINC001498207361 893664240 /nfs/dbraw/zinc/66/42/40/893664240.db2.gz SLAVVMPJUYRQEC-MRVPVSSYSA-N 1 2 271.321 -1.309 20 0 CAADLO COCC(=O)N[C@H](C)C[N@@H+](C)Cc1nc(=O)n(C)[nH]1 ZINC001498207361 893664244 /nfs/dbraw/zinc/66/42/44/893664244.db2.gz SLAVVMPJUYRQEC-MRVPVSSYSA-N 1 2 271.321 -1.309 20 0 CAADLO Cc1nc(CC(=O)N[C@H](C)C[N@H+](C)[C@@H]2CCNC2=O)n[nH]1 ZINC001498277837 893666429 /nfs/dbraw/zinc/66/64/29/893666429.db2.gz YXWXKBKHOFACSN-PSASIEDQSA-N 1 2 294.359 -1.019 20 0 CAADLO Cc1nc(CC(=O)N[C@H](C)C[N@@H+](C)[C@@H]2CCNC2=O)n[nH]1 ZINC001498277837 893666433 /nfs/dbraw/zinc/66/64/33/893666433.db2.gz YXWXKBKHOFACSN-PSASIEDQSA-N 1 2 294.359 -1.019 20 0 CAADLO Cc1nc(CC(=O)N[C@@H](C)C[N@H+](C)[C@@H]2CCNC2=O)n[nH]1 ZINC001498277839 893667085 /nfs/dbraw/zinc/66/70/85/893667085.db2.gz YXWXKBKHOFACSN-WCBMZHEXSA-N 1 2 294.359 -1.019 20 0 CAADLO Cc1nc(CC(=O)N[C@@H](C)C[N@@H+](C)[C@@H]2CCNC2=O)n[nH]1 ZINC001498277839 893667091 /nfs/dbraw/zinc/66/70/91/893667091.db2.gz YXWXKBKHOFACSN-WCBMZHEXSA-N 1 2 294.359 -1.019 20 0 CAADLO Cc1nc(CC(=O)N[C@H](C)C[N@H+](C)[C@H](C)C(N)=O)n[nH]1 ZINC001498277129 893667346 /nfs/dbraw/zinc/66/73/46/893667346.db2.gz POCFFCYEHJPELR-HTQZYQBOSA-N 1 2 282.348 -1.034 20 0 CAADLO Cc1nc(CC(=O)N[C@H](C)C[N@@H+](C)[C@H](C)C(N)=O)n[nH]1 ZINC001498277129 893667352 /nfs/dbraw/zinc/66/73/52/893667352.db2.gz POCFFCYEHJPELR-HTQZYQBOSA-N 1 2 282.348 -1.034 20 0 CAADLO CNC(=O)CC(=O)N1CC(NC(=O)Cn2cc[nH+]c2)C1 ZINC001498266964 893667544 /nfs/dbraw/zinc/66/75/44/893667544.db2.gz RILBYCZBKQTJQF-UHFFFAOYSA-N 1 2 279.300 -1.654 20 0 CAADLO Cc1nc(CC(=O)N[C@H](C)C[N@H+](C)[C@@H](C)C(N)=O)n[nH]1 ZINC001498277131 893667753 /nfs/dbraw/zinc/66/77/53/893667753.db2.gz POCFFCYEHJPELR-SFYZADRCSA-N 1 2 282.348 -1.034 20 0 CAADLO Cc1nc(CC(=O)N[C@H](C)C[N@@H+](C)[C@@H](C)C(N)=O)n[nH]1 ZINC001498277131 893667760 /nfs/dbraw/zinc/66/77/60/893667760.db2.gz POCFFCYEHJPELR-SFYZADRCSA-N 1 2 282.348 -1.034 20 0 CAADLO CNC(=O)CC(=O)N1CC(NC(=O)CCn2cc[nH+]c2)C1 ZINC001498315232 893671103 /nfs/dbraw/zinc/67/11/03/893671103.db2.gz IWLYBFWMMIUYKT-UHFFFAOYSA-N 1 2 293.327 -1.264 20 0 CAADLO CCNC(=O)C[N@H+](C)C[C@H](C)NC(=O)c1cn[nH]n1 ZINC001498327806 893672299 /nfs/dbraw/zinc/67/22/99/893672299.db2.gz ZXWMSWARWSHHCB-QMMMGPOBSA-N 1 2 268.321 -1.009 20 0 CAADLO CCNC(=O)C[N@@H+](C)C[C@H](C)NC(=O)c1cn[nH]n1 ZINC001498327806 893672304 /nfs/dbraw/zinc/67/23/04/893672304.db2.gz ZXWMSWARWSHHCB-QMMMGPOBSA-N 1 2 268.321 -1.009 20 0 CAADLO CCNC(=O)C[N@H+](C)C[C@H](C)NC(=O)c1cnn[nH]1 ZINC001498327806 893672310 /nfs/dbraw/zinc/67/23/10/893672310.db2.gz ZXWMSWARWSHHCB-QMMMGPOBSA-N 1 2 268.321 -1.009 20 0 CAADLO CCNC(=O)C[N@@H+](C)C[C@H](C)NC(=O)c1cnn[nH]1 ZINC001498327806 893672315 /nfs/dbraw/zinc/67/23/15/893672315.db2.gz ZXWMSWARWSHHCB-QMMMGPOBSA-N 1 2 268.321 -1.009 20 0 CAADLO NC(=O)NCCC(=O)N1CC(NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001498369705 893674306 /nfs/dbraw/zinc/67/43/06/893674306.db2.gz OUJGFGANYIEEHI-UHFFFAOYSA-N 1 2 294.315 -1.662 20 0 CAADLO CC[C@@H](C)NC(=O)C[N@H+](C)C[C@H](C)NC(=O)C(N)=O ZINC001498396117 893675104 /nfs/dbraw/zinc/67/51/04/893675104.db2.gz OWDZNSUZLJODDS-BDAKNGLRSA-N 1 2 272.349 -1.177 20 0 CAADLO CC[C@@H](C)NC(=O)C[N@@H+](C)C[C@H](C)NC(=O)C(N)=O ZINC001498396117 893675112 /nfs/dbraw/zinc/67/51/12/893675112.db2.gz OWDZNSUZLJODDS-BDAKNGLRSA-N 1 2 272.349 -1.177 20 0 CAADLO CCNC(=O)NC(=O)C[N@H+](C)C[C@H](C)NC(=O)C(N)=O ZINC001498402852 893679547 /nfs/dbraw/zinc/67/95/47/893679547.db2.gz XWUCXJZWHKCXIL-ZETCQYMHSA-N 1 2 287.320 -2.246 20 0 CAADLO CCNC(=O)NC(=O)C[N@@H+](C)C[C@H](C)NC(=O)C(N)=O ZINC001498402852 893679552 /nfs/dbraw/zinc/67/95/52/893679552.db2.gz XWUCXJZWHKCXIL-ZETCQYMHSA-N 1 2 287.320 -2.246 20 0 CAADLO CC[C@@H](C)NC(=O)C[N@H+](C)C[C@@H](C)NC(=O)C(N)=O ZINC001498396123 893680193 /nfs/dbraw/zinc/68/01/93/893680193.db2.gz OWDZNSUZLJODDS-RKDXNWHRSA-N 1 2 272.349 -1.177 20 0 CAADLO CC[C@@H](C)NC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)C(N)=O ZINC001498396123 893680199 /nfs/dbraw/zinc/68/01/99/893680199.db2.gz OWDZNSUZLJODDS-RKDXNWHRSA-N 1 2 272.349 -1.177 20 0 CAADLO CNC(=O)[C@@H](C)[NH2+]CCCN(C)C(=O)Cc1ncn[nH]1 ZINC001498638485 893684437 /nfs/dbraw/zinc/68/44/37/893684437.db2.gz GLHZYEBBTGIPGG-SECBINFHSA-N 1 2 282.348 -1.080 20 0 CAADLO CNC(=O)CC(=O)N1CC(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001498605897 893684950 /nfs/dbraw/zinc/68/49/50/893684950.db2.gz RXWLSMMLXCJAON-UHFFFAOYSA-N 1 2 293.327 -1.406 20 0 CAADLO CC(=O)NCC(=O)N1CC(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001498601318 893685402 /nfs/dbraw/zinc/68/54/02/893685402.db2.gz ABINUSXHXRYGJO-UHFFFAOYSA-N 1 2 293.327 -1.406 20 0 CAADLO CN(C)c1noc(C[NH2+]C[C@@H](NC(=O)C(N)=O)C2CC2)n1 ZINC001498813693 893692203 /nfs/dbraw/zinc/69/22/03/893692203.db2.gz FAXQKMYZBNIFMP-MRVPVSSYSA-N 1 2 296.331 -1.395 20 0 CAADLO CC(=O)NCC(=O)NC[C@H]1CC[N@@H+]1[C@H]1CCNC1=O ZINC001498911841 893692269 /nfs/dbraw/zinc/69/22/69/893692269.db2.gz AHCGSJZMSMYQRC-ZJUUUORDSA-N 1 2 268.317 -1.799 20 0 CAADLO CC(=O)NCC(=O)NC[C@H]1CC[N@H+]1[C@H]1CCNC1=O ZINC001498911841 893692279 /nfs/dbraw/zinc/69/22/79/893692279.db2.gz AHCGSJZMSMYQRC-ZJUUUORDSA-N 1 2 268.317 -1.799 20 0 CAADLO CCN(C(=O)C(N)=O)[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001498849087 893693804 /nfs/dbraw/zinc/69/38/04/893693804.db2.gz ZEYDXVBDBHNNJX-JTQLQIEISA-N 1 2 293.327 -1.182 20 0 CAADLO COC(=O)NCC(=O)NC[C@@H]1CC[N@@H+]1[C@@H]1CCN(C)C1=O ZINC001498934709 893695660 /nfs/dbraw/zinc/69/56/60/893695660.db2.gz OPEYWMQNEYPPIV-VHSXEESVSA-N 1 2 298.343 -1.236 20 0 CAADLO COC(=O)NCC(=O)NC[C@@H]1CC[N@H+]1[C@@H]1CCN(C)C1=O ZINC001498934709 893695672 /nfs/dbraw/zinc/69/56/72/893695672.db2.gz OPEYWMQNEYPPIV-VHSXEESVSA-N 1 2 298.343 -1.236 20 0 CAADLO CN(C)C(=O)C[N@@H+]1CC[C@H]1CNC(=O)CN1CCOCC1 ZINC001498959139 893696497 /nfs/dbraw/zinc/69/64/97/893696497.db2.gz FHADHGBUMVCILF-LBPRGKRZSA-N 1 2 298.387 -1.403 20 0 CAADLO CN(C)C(=O)C[N@H+]1CC[C@H]1CNC(=O)CN1CCOCC1 ZINC001498959139 893696510 /nfs/dbraw/zinc/69/65/10/893696510.db2.gz FHADHGBUMVCILF-LBPRGKRZSA-N 1 2 298.387 -1.403 20 0 CAADLO CC(=O)NCC(=O)NC[C@@H]1CC[N@H+]1[C@H](C)C(=O)NC(N)=O ZINC001498913313 893697498 /nfs/dbraw/zinc/69/74/98/893697498.db2.gz TVBPVDDUOIIGJW-APPZFPTMSA-N 1 2 299.331 -2.104 20 0 CAADLO CC(=O)NCC(=O)NC[C@@H]1CC[N@@H+]1[C@H](C)C(=O)NC(N)=O ZINC001498913313 893697505 /nfs/dbraw/zinc/69/75/05/893697505.db2.gz TVBPVDDUOIIGJW-APPZFPTMSA-N 1 2 299.331 -2.104 20 0 CAADLO CCN(C)C(=O)C[N@@H+]1CC[C@@H]1CNC(=O)[C@H](C)NC(N)=O ZINC001498965854 893697591 /nfs/dbraw/zinc/69/75/91/893697591.db2.gz GNZREMZRWPQANL-VHSXEESVSA-N 1 2 299.375 -1.288 20 0 CAADLO CCN(C)C(=O)C[N@H+]1CC[C@@H]1CNC(=O)[C@H](C)NC(N)=O ZINC001498965854 893697596 /nfs/dbraw/zinc/69/75/96/893697596.db2.gz GNZREMZRWPQANL-VHSXEESVSA-N 1 2 299.375 -1.288 20 0 CAADLO NC(=O)CC(=O)NC[C@H]1CC[N@@H+]1[C@H]1CCNC1=O ZINC001498953244 893697706 /nfs/dbraw/zinc/69/77/06/893697706.db2.gz SDIMHBTVQWYISP-SFYZADRCSA-N 1 2 254.290 -2.059 20 0 CAADLO NC(=O)CC(=O)NC[C@H]1CC[N@H+]1[C@H]1CCNC1=O ZINC001498953244 893697712 /nfs/dbraw/zinc/69/77/12/893697712.db2.gz SDIMHBTVQWYISP-SFYZADRCSA-N 1 2 254.290 -2.059 20 0 CAADLO CC(=O)NCC(=O)NC[C@H]1CC[N@H+]1[C@@H](C)C(=O)NC(N)=O ZINC001498913315 893697959 /nfs/dbraw/zinc/69/79/59/893697959.db2.gz TVBPVDDUOIIGJW-IONNQARKSA-N 1 2 299.331 -2.104 20 0 CAADLO CC(=O)NCC(=O)NC[C@H]1CC[N@@H+]1[C@@H](C)C(=O)NC(N)=O ZINC001498913315 893697970 /nfs/dbraw/zinc/69/79/70/893697970.db2.gz TVBPVDDUOIIGJW-IONNQARKSA-N 1 2 299.331 -2.104 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CC[C@H]1CNC(=O)CCn1cncn1 ZINC001498929573 893698114 /nfs/dbraw/zinc/69/81/14/893698114.db2.gz SPDDSVOFZMFCPV-ZJUUUORDSA-N 1 2 280.332 -1.268 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CC[C@H]1CNC(=O)CCn1cncn1 ZINC001498929573 893698124 /nfs/dbraw/zinc/69/81/24/893698124.db2.gz SPDDSVOFZMFCPV-ZJUUUORDSA-N 1 2 280.332 -1.268 20 0 CAADLO CC(=O)NCC(=O)NC[C@@H]1CC[N@H+]1[C@@H](C)C(=O)NC(N)=O ZINC001498913314 893698177 /nfs/dbraw/zinc/69/81/77/893698177.db2.gz TVBPVDDUOIIGJW-CBAPKCEASA-N 1 2 299.331 -2.104 20 0 CAADLO CC(=O)NCC(=O)NC[C@@H]1CC[N@@H+]1[C@@H](C)C(=O)NC(N)=O ZINC001498913314 893698186 /nfs/dbraw/zinc/69/81/86/893698186.db2.gz TVBPVDDUOIIGJW-CBAPKCEASA-N 1 2 299.331 -2.104 20 0 CAADLO NC(=O)CC(=O)NC[C@@H]1CC[N@@H+]1[C@H]1CCNC1=O ZINC001498953246 893698375 /nfs/dbraw/zinc/69/83/75/893698375.db2.gz SDIMHBTVQWYISP-YUMQZZPRSA-N 1 2 254.290 -2.059 20 0 CAADLO NC(=O)CC(=O)NC[C@@H]1CC[N@H+]1[C@H]1CCNC1=O ZINC001498953246 893698383 /nfs/dbraw/zinc/69/83/83/893698383.db2.gz SDIMHBTVQWYISP-YUMQZZPRSA-N 1 2 254.290 -2.059 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+]1CC[C@H]1CNC(=O)C(C)(C)C(N)=O ZINC001499000861 893699745 /nfs/dbraw/zinc/69/97/45/893699745.db2.gz XDSNKQJDZJOZGE-BDAKNGLRSA-N 1 2 284.360 -1.177 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+]1CC[C@H]1CNC(=O)C(C)(C)C(N)=O ZINC001499000861 893699759 /nfs/dbraw/zinc/69/97/59/893699759.db2.gz XDSNKQJDZJOZGE-BDAKNGLRSA-N 1 2 284.360 -1.177 20 0 CAADLO NC(=O)NCCC(=O)NC[C@H]1CC[N@@H+]1[C@H]1CCNC1=O ZINC001499114306 893703637 /nfs/dbraw/zinc/70/36/37/893703637.db2.gz KULNHXJKHVNRLQ-BDAKNGLRSA-N 1 2 283.332 -1.876 20 0 CAADLO NC(=O)NCCC(=O)NC[C@H]1CC[N@H+]1[C@H]1CCNC1=O ZINC001499114306 893703652 /nfs/dbraw/zinc/70/36/52/893703652.db2.gz KULNHXJKHVNRLQ-BDAKNGLRSA-N 1 2 283.332 -1.876 20 0 CAADLO Cn1nnnc1CN1CC[C@H]1CNC(=O)Cc1c[nH]c[nH+]1 ZINC001499072937 893705613 /nfs/dbraw/zinc/70/56/13/893705613.db2.gz ROXGFMIGEUIQJX-JTQLQIEISA-N 1 2 290.331 -1.134 20 0 CAADLO O=C(CCN1CCOCC1)NC[C@@H]1CC[N@H+]1CCO ZINC001499082168 893705660 /nfs/dbraw/zinc/70/56/60/893705660.db2.gz PJGXNWAMMMGMRP-LBPRGKRZSA-N 1 2 271.361 -1.109 20 0 CAADLO O=C(CCN1CCOCC1)NC[C@@H]1CC[N@@H+]1CCO ZINC001499082168 893705666 /nfs/dbraw/zinc/70/56/66/893705666.db2.gz PJGXNWAMMMGMRP-LBPRGKRZSA-N 1 2 271.361 -1.109 20 0 CAADLO NC(=O)NCCC(=O)NC[C@@H]1CC[N@@H+]1[C@@H]1CCNC1=O ZINC001499114307 893705795 /nfs/dbraw/zinc/70/57/95/893705795.db2.gz KULNHXJKHVNRLQ-DTWKUNHWSA-N 1 2 283.332 -1.876 20 0 CAADLO NC(=O)NCCC(=O)NC[C@@H]1CC[N@H+]1[C@@H]1CCNC1=O ZINC001499114307 893705805 /nfs/dbraw/zinc/70/58/05/893705805.db2.gz KULNHXJKHVNRLQ-DTWKUNHWSA-N 1 2 283.332 -1.876 20 0 CAADLO CO[C@@H](C)C(=O)NCC1([NH2+]Cc2nnnn2C)CC1 ZINC001499171700 893709682 /nfs/dbraw/zinc/70/96/82/893709682.db2.gz XKRCOSIMFIBHAA-QMMMGPOBSA-N 1 2 268.321 -1.017 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CC[C@@H]1CNC(=O)CCCC(N)=O ZINC001499135425 893709735 /nfs/dbraw/zinc/70/97/35/893709735.db2.gz AAFKONIOTRYLAB-RKDXNWHRSA-N 1 2 270.333 -1.294 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CC[C@@H]1CNC(=O)CCCC(N)=O ZINC001499135425 893709745 /nfs/dbraw/zinc/70/97/45/893709745.db2.gz AAFKONIOTRYLAB-RKDXNWHRSA-N 1 2 270.333 -1.294 20 0 CAADLO O=C(Cn1cc[nH+]c1)NC[C@H]1CCN1[C@H]1CCNC1=O ZINC001499136139 893710403 /nfs/dbraw/zinc/71/04/03/893710403.db2.gz HZBGQALOCXJORK-MNOVXSKESA-N 1 2 277.328 -1.038 20 0 CAADLO CC[C@@H](CNC(=O)C(N)=O)NC(=O)CCc1c[nH]c[nH+]1 ZINC001499321821 893714205 /nfs/dbraw/zinc/71/42/05/893714205.db2.gz JRCYYUHYUTXPII-QMMMGPOBSA-N 1 2 281.316 -1.161 20 0 CAADLO CC[C@@H](CNC(=O)C(N)=O)NC(=O)CCc1c[nH+]c[nH]1 ZINC001499321821 893714216 /nfs/dbraw/zinc/71/42/16/893714216.db2.gz JRCYYUHYUTXPII-QMMMGPOBSA-N 1 2 281.316 -1.161 20 0 CAADLO CC[C@H](CNC(=O)C(N)=O)NC(=O)CCc1[nH+]ccn1C ZINC001499320850 893714262 /nfs/dbraw/zinc/71/42/62/893714262.db2.gz DXZDSTNQSREQQX-SECBINFHSA-N 1 2 295.343 -1.151 20 0 CAADLO CC[C@@H](CNC(=O)C(N)=O)NC(=O)CCc1[nH+]ccn1C ZINC001499320855 893714565 /nfs/dbraw/zinc/71/45/65/893714565.db2.gz DXZDSTNQSREQQX-VIFPVBQESA-N 1 2 295.343 -1.151 20 0 CAADLO Cc1nnc([C@H](C)[NH2+]C2(CNC(=O)C(N)=O)CC2)[nH]1 ZINC001499336610 893716983 /nfs/dbraw/zinc/71/69/83/893716983.db2.gz ZPSJYMVMXYGXCI-LURJTMIESA-N 1 2 266.305 -1.102 20 0 CAADLO C[C@@H]([NH2+]C1(CNC(=O)C(N)=O)CC1)c1nnnn1C1CC1 ZINC001499336188 893717565 /nfs/dbraw/zinc/71/75/65/893717565.db2.gz LWMLVQDTAIRJKM-SSDOTTSWSA-N 1 2 293.331 -1.207 20 0 CAADLO Cn1nnnc1C[NH2+]C1(CNC(=O)C2(C(N)=O)CC2)CC1 ZINC001499335007 893718771 /nfs/dbraw/zinc/71/87/71/893718771.db2.gz MCCWMXXNDCYREL-UHFFFAOYSA-N 1 2 293.331 -1.786 20 0 CAADLO NC(=O)NC(=O)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(N)=O ZINC001499510646 893720865 /nfs/dbraw/zinc/72/08/65/893720865.db2.gz BADDWCFBNGBHJJ-SFYZADRCSA-N 1 2 297.315 -2.268 20 0 CAADLO NC(=O)NC(=O)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(N)=O ZINC001499510646 893720872 /nfs/dbraw/zinc/72/08/72/893720872.db2.gz BADDWCFBNGBHJJ-SFYZADRCSA-N 1 2 297.315 -2.268 20 0 CAADLO CCC(=O)NCC(=O)N(C)C1C[NH+](CCOCCO)C1 ZINC001499646209 893721987 /nfs/dbraw/zinc/72/19/87/893721987.db2.gz SPSRIGYTANADTJ-UHFFFAOYSA-N 1 2 287.360 -1.336 20 0 CAADLO CN(C(=O)CCn1ccnn1)C1C[NH+](CCOCCO)C1 ZINC001499655692 893722265 /nfs/dbraw/zinc/72/22/65/893722265.db2.gz ILUHEYTVGTXXIB-UHFFFAOYSA-N 1 2 297.359 -1.180 20 0 CAADLO CN(C(=O)C(N)=O)C1C[NH+](CCCO[C@H]2CCOC2)C1 ZINC001499738371 893724896 /nfs/dbraw/zinc/72/48/96/893724896.db2.gz ATXJECNMDZARRE-NSHDSACASA-N 1 2 285.344 -1.190 20 0 CAADLO CNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@](C)(NC(=O)C(N)=O)C1 ZINC001500254719 893731935 /nfs/dbraw/zinc/73/19/35/893731935.db2.gz WDOWJZPJQVDHOV-JVXZTZIISA-N 1 2 299.331 -2.104 20 0 CAADLO CNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@@](C)(NC(=O)C(N)=O)C1 ZINC001500254719 893731944 /nfs/dbraw/zinc/73/19/44/893731944.db2.gz WDOWJZPJQVDHOV-JVXZTZIISA-N 1 2 299.331 -2.104 20 0 CAADLO C[C@]1(NC(=O)c2ncc[nH]2)CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001500214274 893733169 /nfs/dbraw/zinc/73/31/69/893733169.db2.gz GQALJXMDFONMRO-LBPRGKRZSA-N 1 2 294.315 -1.201 20 0 CAADLO C[C@]1(NC(=O)c2ncc[nH]2)CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001500214274 893733180 /nfs/dbraw/zinc/73/31/80/893733180.db2.gz GQALJXMDFONMRO-LBPRGKRZSA-N 1 2 294.315 -1.201 20 0 CAADLO Cc1cnc(C[N@@H+]2CC[C@@](O)(CNC(=O)CC(N)=O)C2)o1 ZINC001500652564 893742670 /nfs/dbraw/zinc/74/26/70/893742670.db2.gz AIDRKEOTLDNICO-CYBMUJFWSA-N 1 2 296.327 -1.089 20 0 CAADLO Cc1cnc(C[N@H+]2CC[C@@](O)(CNC(=O)CC(N)=O)C2)o1 ZINC001500652564 893742681 /nfs/dbraw/zinc/74/26/81/893742681.db2.gz AIDRKEOTLDNICO-CYBMUJFWSA-N 1 2 296.327 -1.089 20 0 CAADLO O=C(NCC1(O)C[NH+](CCCO)C1)[C@H]1COCCO1 ZINC001500792018 893757906 /nfs/dbraw/zinc/75/79/06/893757906.db2.gz FHOPFGIOSMUELQ-SNVBAGLBSA-N 1 2 274.317 -2.053 20 0 CAADLO C[C@@H](O)C[NH+]1CC(O)(CNC(=O)[C@H]2CCCOC2)C1 ZINC001500803213 893760716 /nfs/dbraw/zinc/76/07/16/893760716.db2.gz HHANSXQGWURBHN-MNOVXSKESA-N 1 2 272.345 -1.043 20 0 CAADLO O=C(COCC1CC1)NCC1(O)C[NH+](CCCO)C1 ZINC001500792724 893760862 /nfs/dbraw/zinc/76/08/62/893760862.db2.gz SKJCPQYDRGFYBN-UHFFFAOYSA-N 1 2 272.345 -1.042 20 0 CAADLO C[C@H](O)C[NH+]1CC(O)(CNC(=O)CCn2ccnn2)C1 ZINC001500823538 893762221 /nfs/dbraw/zinc/76/22/21/893762221.db2.gz IBUHAATZTYPDMP-JTQLQIEISA-N 1 2 283.332 -1.788 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(O)(CNC(=O)[C@H](O)C(C)C)C1 ZINC001500826443 893762242 /nfs/dbraw/zinc/76/22/42/893762242.db2.gz IETRFEDIEPQUAP-WDEREUQCSA-N 1 2 290.360 -1.827 20 0 CAADLO Nc1nccnc1C(=O)NCC1(O)C[NH+](CCCO)C1 ZINC001500808896 893762276 /nfs/dbraw/zinc/76/22/76/893762276.db2.gz JTJJWRYRPVTIAJ-UHFFFAOYSA-N 1 2 281.316 -1.782 20 0 CAADLO Cn1cc(C(=O)NCC2(O)C[NH+](CCCF)C2)nn1 ZINC001500830055 893762852 /nfs/dbraw/zinc/76/28/52/893762852.db2.gz LYUWQVHGCVKPFR-UHFFFAOYSA-N 1 2 271.296 -1.049 20 0 CAADLO C[C@H](O)C[NH+]1CC(O)(CNC(=O)CN2CCOCC2)C1 ZINC001500819090 893763276 /nfs/dbraw/zinc/76/32/76/893763276.db2.gz DAQGQNCZTBGSLG-NSHDSACASA-N 1 2 287.360 -2.138 20 0 CAADLO C[C@H](O)C[NH+]1CC(O)(CNC(=O)c2cnn(C)c2N)C1 ZINC001500820994 893764019 /nfs/dbraw/zinc/76/40/19/893764019.db2.gz GFEHQJFVLFBYSH-QMMMGPOBSA-N 1 2 283.332 -1.840 20 0 CAADLO CCOCC[NH+]1CC(O)(CNC(=O)CCn2ccnn2)C1 ZINC001500823636 893764094 /nfs/dbraw/zinc/76/40/94/893764094.db2.gz LHLLPQLBGVOMJQ-UHFFFAOYSA-N 1 2 297.359 -1.132 20 0 CAADLO CCn1nncc1C(=O)NCC1(O)C[NH+](C[C@H](C)O)C1 ZINC001500832013 893764179 /nfs/dbraw/zinc/76/41/79/893764179.db2.gz NOGTXGXKOBOJNT-VIFPVBQESA-N 1 2 283.332 -1.545 20 0 CAADLO C[C@@H](O)C[NH+]1CC(O)(CNC(=O)CCn2ccnn2)C1 ZINC001500823539 893764349 /nfs/dbraw/zinc/76/43/49/893764349.db2.gz IBUHAATZTYPDMP-SNVBAGLBSA-N 1 2 283.332 -1.788 20 0 CAADLO C[C@@H](O)C[NH+]1CC(O)(CNC(=O)CN2CCOCC2)C1 ZINC001500819089 893764703 /nfs/dbraw/zinc/76/47/03/893764703.db2.gz DAQGQNCZTBGSLG-LLVKDONJSA-N 1 2 287.360 -2.138 20 0 CAADLO COc1nccc(C(=O)NCC2(O)C[NH+](CCCO)C2)n1 ZINC001500881292 893767051 /nfs/dbraw/zinc/76/70/51/893767051.db2.gz MTZKAQRKKUBVIO-UHFFFAOYSA-N 1 2 296.327 -1.356 20 0 CAADLO C[C@@H](F)CC[NH+]1CC(O)(CNC(=O)Cn2ncnn2)C1 ZINC001500837216 893767398 /nfs/dbraw/zinc/76/73/98/893767398.db2.gz MFNZSPMNSGTCOM-SECBINFHSA-N 1 2 286.311 -1.416 20 0 CAADLO COCCC[NH+]1CC(O)(CNC(=O)Cc2nnc(C)[nH]2)C1 ZINC001500832254 893767759 /nfs/dbraw/zinc/76/77/59/893767759.db2.gz SSNUTLDHCAMYPC-UHFFFAOYSA-N 1 2 297.359 -1.145 20 0 CAADLO COc1cc(C(=O)NCC2(O)C[NH+](CCCO)C2)nn1C ZINC001500878377 893768031 /nfs/dbraw/zinc/76/80/31/893768031.db2.gz NIUFBOZIPAIGII-UHFFFAOYSA-N 1 2 298.343 -1.412 20 0 CAADLO Cn1c[nH+]cc1CN1CC(O)(CNC(=O)C(N)=O)C1 ZINC001500913086 893769434 /nfs/dbraw/zinc/76/94/34/893769434.db2.gz OPFRKYQLXSAXJL-UHFFFAOYSA-N 1 2 267.289 -2.432 20 0 CAADLO Cn1ccc(C[NH+]2CC(O)(CNC(=O)C(N)=O)C2)cc1=O ZINC001500912360 893769720 /nfs/dbraw/zinc/76/97/20/893769720.db2.gz IKOKKNYXDFXDRO-UHFFFAOYSA-N 1 2 294.311 -2.467 20 0 CAADLO Cc1n[nH]cc1C(=O)NCC1(O)C[NH+](CCCO)C1 ZINC001500897260 893770413 /nfs/dbraw/zinc/77/04/13/893770413.db2.gz PBEQJKFGTRSWCA-UHFFFAOYSA-N 1 2 268.317 -1.123 20 0 CAADLO CO[C@@H](C)C[NH+]1CC(O)(CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001500912090 893770431 /nfs/dbraw/zinc/77/04/31/893770431.db2.gz GWMPKJMCCSJJHC-DTWKUNHWSA-N 1 2 286.332 -2.134 20 0 CAADLO O=C(NCC1(O)C[NH+](CCCF)C1)[C@@H]1CNC(=O)N1 ZINC001500911681 893770597 /nfs/dbraw/zinc/77/05/97/893770597.db2.gz AMJOOUVIQROVSK-QMMMGPOBSA-N 1 2 274.296 -1.810 20 0 CAADLO C[C@@H](O)C[NH+]1CC(O)(CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001500904524 893770640 /nfs/dbraw/zinc/77/06/40/893770640.db2.gz ARNGNNDQHJEYFH-ZNSHCXBVSA-N 1 2 270.329 -1.578 20 0 CAADLO O=C(NCC1(O)C[NH+](CCCF)C1)[C@H]1CNC(=O)N1 ZINC001500911680 893770690 /nfs/dbraw/zinc/77/06/90/893770690.db2.gz AMJOOUVIQROVSK-MRVPVSSYSA-N 1 2 274.296 -1.810 20 0 CAADLO COC[C@H](C)[NH+]1CC(O)(CNC(=O)C2(C(N)=O)CC2)C1 ZINC001500911966 893771155 /nfs/dbraw/zinc/77/11/55/893771155.db2.gz DXUGCJXSZPAHRB-VIFPVBQESA-N 1 2 285.344 -1.550 20 0 CAADLO CO[C@H](C)C[NH+]1CC(O)(CNC(=O)[C@@H](C)CC(N)=O)C1 ZINC001500900143 893771443 /nfs/dbraw/zinc/77/14/43/893771443.db2.gz ZDALAYITEYDGBM-VHSXEESVSA-N 1 2 287.360 -1.304 20 0 CAADLO C[C@H](O)C[NH+]1CC(O)(CNC(=O)[C@H]2CCC(=O)N2C)C1 ZINC001500907623 893771662 /nfs/dbraw/zinc/77/16/62/893771662.db2.gz TVRKHFBJPNPFFR-VHSXEESVSA-N 1 2 285.344 -1.849 20 0 CAADLO C[C@H](O)CCC[NH+]1CC(O)(CNC(=O)c2nnn(C)n2)C1 ZINC001500902844 893772049 /nfs/dbraw/zinc/77/20/49/893772049.db2.gz VIIPYBISTLBOGM-VIFPVBQESA-N 1 2 298.347 -1.852 20 0 CAADLO CO[C@@H](C)C[NH+]1CC(O)(CNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001500912091 893772132 /nfs/dbraw/zinc/77/21/32/893772132.db2.gz GWMPKJMCCSJJHC-IUCAKERBSA-N 1 2 286.332 -2.134 20 0 CAADLO COc1cncc(C(=O)NCC2(O)C[NH+](CCCO)C2)n1 ZINC001500941379 893773278 /nfs/dbraw/zinc/77/32/78/893773278.db2.gz GYLNICQUKGNPKA-UHFFFAOYSA-N 1 2 296.327 -1.356 20 0 CAADLO CC(=O)NC(C)(C)C(=O)NCC1(O)C[NH+](C[C@@H](C)O)C1 ZINC001500947097 893773436 /nfs/dbraw/zinc/77/34/36/893773436.db2.gz VURJRXHBPYBLIQ-SECBINFHSA-N 1 2 287.360 -1.555 20 0 CAADLO CO[C@H](C)C[NH+]1CC(O)(CNC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001500924017 893774066 /nfs/dbraw/zinc/77/40/66/893774066.db2.gz DSOZIKAIMKGMBJ-BBBLOLIVSA-N 1 2 285.344 -1.694 20 0 CAADLO C[C@H](O)C[NH+]1CC(O)(CNC(=O)c2n[nH]cc2F)C1 ZINC001500918347 893774420 /nfs/dbraw/zinc/77/44/20/893774420.db2.gz VRMIKECRVGWAKI-ZETCQYMHSA-N 1 2 272.280 -1.294 20 0 CAADLO CC[C@@H](C(N)=O)N1CC(O)(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001500991753 893776483 /nfs/dbraw/zinc/77/64/83/893776483.db2.gz RYELXKWFVGMQBF-JTQLQIEISA-N 1 2 295.343 -1.690 20 0 CAADLO O=C(CCCn1cc[nH+]c1)NCC1(O)CN(CCO)C1 ZINC001500992143 893777467 /nfs/dbraw/zinc/77/74/67/893777467.db2.gz ZDRZLNDDQRKLNG-UHFFFAOYSA-N 1 2 282.344 -1.182 20 0 CAADLO C[C@H](O)C[NH+]1CC(O)(CNC(=O)c2c[nH]c(C(N)=O)c2)C1 ZINC001500978215 893777489 /nfs/dbraw/zinc/77/74/89/893777489.db2.gz JWRIFYGRPQYKPQ-QMMMGPOBSA-N 1 2 296.327 -1.729 20 0 CAADLO Cn1c[nH+]cc1CC(=O)NCC1(O)CN(CCCO)C1 ZINC001500965234 893777657 /nfs/dbraw/zinc/77/76/57/893777657.db2.gz IXCVCAVWNNDNSP-UHFFFAOYSA-N 1 2 282.344 -1.492 20 0 CAADLO Cn1cncc1CC(=O)NCC1(O)C[NH+](CCCO)C1 ZINC001500965234 893777667 /nfs/dbraw/zinc/77/76/67/893777667.db2.gz IXCVCAVWNNDNSP-UHFFFAOYSA-N 1 2 282.344 -1.492 20 0 CAADLO CCn1nc(C)c(C(=O)NCC2(O)C[NH+](C[C@@H](C)O)C2)n1 ZINC001500991902 893777918 /nfs/dbraw/zinc/77/79/18/893777918.db2.gz UEDAIRFXJNCGGV-SECBINFHSA-N 1 2 297.359 -1.236 20 0 CAADLO CNC(=O)C[N@@H+]1CCC[C@](CO)(NC(=O)[C@H]2CCOC2)C1 ZINC001501307520 893783326 /nfs/dbraw/zinc/78/33/26/893783326.db2.gz JRBQAGNJZXDBGX-FZMZJTMJSA-N 1 2 299.371 -1.288 20 0 CAADLO CNC(=O)C[N@H+]1CCC[C@](CO)(NC(=O)[C@H]2CCOC2)C1 ZINC001501307520 893783338 /nfs/dbraw/zinc/78/33/38/893783338.db2.gz JRBQAGNJZXDBGX-FZMZJTMJSA-N 1 2 299.371 -1.288 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@](CO)(NC(=O)Cc2ncc[nH]2)C1 ZINC001501357550 893785670 /nfs/dbraw/zinc/78/56/70/893785670.db2.gz RROZRNWHLSJSKT-ZDUSSCGKSA-N 1 2 295.343 -1.619 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@](CO)(NC(=O)Cc2ncc[nH]2)C1 ZINC001501357550 893785682 /nfs/dbraw/zinc/78/56/82/893785682.db2.gz RROZRNWHLSJSKT-ZDUSSCGKSA-N 1 2 295.343 -1.619 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@](CO)(NC(=O)C2CCOCC2)C1 ZINC001501293077 893786276 /nfs/dbraw/zinc/78/62/76/893786276.db2.gz QTPRZZGEEPYXDJ-AWEZNQCLSA-N 1 2 299.371 -1.159 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@](CO)(NC(=O)C2CCOCC2)C1 ZINC001501293077 893786288 /nfs/dbraw/zinc/78/62/88/893786288.db2.gz QTPRZZGEEPYXDJ-AWEZNQCLSA-N 1 2 299.371 -1.159 20 0 CAADLO COCC(=O)N(CCO)CC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001501427463 893793638 /nfs/dbraw/zinc/79/36/38/893793638.db2.gz MTDREVUAXXTGOC-UHFFFAOYSA-N 1 2 287.320 -2.335 20 0 CAADLO Cn1nnc(C[NH2+]CC[C@H]2CCN(C(=O)CC(N)=O)C2)n1 ZINC001501548645 893818215 /nfs/dbraw/zinc/81/82/15/893818215.db2.gz ZWGJBAURJVSFOY-VIFPVBQESA-N 1 2 295.347 -1.586 20 0 CAADLO CC(=O)NCC(=O)NC/C=C\CNC(=O)Cn1cc[nH+]c1 ZINC001501646141 893822788 /nfs/dbraw/zinc/82/27/88/893822788.db2.gz JKLYFKGDLGTHIE-IHWYPQMZSA-N 1 2 293.327 -1.192 20 0 CAADLO NC(=O)CC(=O)NC/C=C\CNC(=O)Cn1cc[nH+]c1 ZINC001501751006 893824035 /nfs/dbraw/zinc/82/40/35/893824035.db2.gz VUFYZADFNHCLHS-UPHRSURJSA-N 1 2 279.300 -1.453 20 0 CAADLO NC(=O)CN1CCOC[C@@H]1CNC(=O)Cc1[nH]cc[nH+]1 ZINC001501834054 893824374 /nfs/dbraw/zinc/82/43/74/893824374.db2.gz GGAAKXMBCASPGG-VIFPVBQESA-N 1 2 281.316 -1.746 20 0 CAADLO CNC(=O)NCC(=O)NC[C@@H]1COCC[N@@H+]1C[C@H](C)O ZINC001501784133 893826714 /nfs/dbraw/zinc/82/67/14/893826714.db2.gz QKNTWGJXVMLLMY-VHSXEESVSA-N 1 2 288.348 -1.887 20 0 CAADLO CNC(=O)NCC(=O)NC[C@@H]1COCC[N@H+]1C[C@H](C)O ZINC001501784133 893826732 /nfs/dbraw/zinc/82/67/32/893826732.db2.gz QKNTWGJXVMLLMY-VHSXEESVSA-N 1 2 288.348 -1.887 20 0 CAADLO CNC(=O)NCC(=O)NC[C@H]1COCC[N@@H+]1C[C@@H](C)O ZINC001501784134 893827845 /nfs/dbraw/zinc/82/78/45/893827845.db2.gz QKNTWGJXVMLLMY-ZJUUUORDSA-N 1 2 288.348 -1.887 20 0 CAADLO CNC(=O)NCC(=O)NC[C@H]1COCC[N@H+]1C[C@@H](C)O ZINC001501784134 893827862 /nfs/dbraw/zinc/82/78/62/893827862.db2.gz QKNTWGJXVMLLMY-ZJUUUORDSA-N 1 2 288.348 -1.887 20 0 CAADLO O=C(NCC1([NH2+]Cc2cnon2)CCC1)[C@H]1CNC(=O)N1 ZINC001501994571 893831623 /nfs/dbraw/zinc/83/16/23/893831623.db2.gz HDAMRTLQVUOAGE-SECBINFHSA-N 1 2 294.315 -1.121 20 0 CAADLO CNC(=O)CC(=O)NC[C@@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001502409043 893847760 /nfs/dbraw/zinc/84/77/60/893847760.db2.gz OQJWDNCFLLUDLK-SECBINFHSA-N 1 2 281.316 -1.360 20 0 CAADLO COC[C@H](O)C[NH+]1CC2(C1)C[C@H](NC(=O)C(N)=O)CO2 ZINC001502464553 893848910 /nfs/dbraw/zinc/84/89/10/893848910.db2.gz MIBUHWJQVQIPFL-DTWKUNHWSA-N 1 2 287.316 -2.562 20 0 CAADLO COC[C@H](O)C[NH+]1CC2(C1)C[C@@H](NC(=O)C(N)=O)CO2 ZINC001502464554 893851082 /nfs/dbraw/zinc/85/10/82/893851082.db2.gz MIBUHWJQVQIPFL-RKDXNWHRSA-N 1 2 287.316 -2.562 20 0 CAADLO CO[C@@H](C)C[NH+]1CC2(C1)C[C@H](NC(=O)CC(N)=O)CO2 ZINC001502452569 893852429 /nfs/dbraw/zinc/85/24/29/893852429.db2.gz AQAQIIMCARIRQA-UWVGGRQHSA-N 1 2 285.344 -1.144 20 0 CAADLO CO[C@@H](C)C[NH+]1CC2(C1)C[C@@H](NC(=O)CC(N)=O)CO2 ZINC001502452570 893852460 /nfs/dbraw/zinc/85/24/60/893852460.db2.gz AQAQIIMCARIRQA-VHSXEESVSA-N 1 2 285.344 -1.144 20 0 CAADLO CCC(=O)NCC(=O)N[C@H]1COC2(C[NH+](C[C@@H](C)O)C2)C1 ZINC001502449973 893852559 /nfs/dbraw/zinc/85/25/59/893852559.db2.gz FKXKSQLCYWJROJ-GHMZBOCLSA-N 1 2 299.371 -1.147 20 0 CAADLO NC(=O)C[NH2+][C@@]1(CO)CCCN(C(=O)Cc2ncn[nH]2)C1 ZINC001502594919 893853932 /nfs/dbraw/zinc/85/39/32/893853932.db2.gz FUDIBNJVJKLCEL-LBPRGKRZSA-N 1 2 296.331 -2.224 20 0 CAADLO C[C@H](CNC(=O)[C@H]1CCCc2[nH+]c[nH]c21)NC(=O)C(N)=O ZINC001502603976 893854718 /nfs/dbraw/zinc/85/47/18/893854718.db2.gz HRHZUKVYBWVZIR-SFYZADRCSA-N 1 2 293.327 -1.064 20 0 CAADLO C[C@H](CNC(=O)C1(C(N)=O)CC1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001502590927 893855210 /nfs/dbraw/zinc/85/52/10/893855210.db2.gz RCZSJIIVBGUEMF-MRVPVSSYSA-N 1 2 293.327 -1.161 20 0 CAADLO Cn1cc(C[NH2+][C@@]2(CO)CCCN(C(=O)C(N)=O)C2)nn1 ZINC001502585897 893856456 /nfs/dbraw/zinc/85/64/56/893856456.db2.gz AHBHKRABACBXOG-LBPRGKRZSA-N 1 2 296.331 -2.257 20 0 CAADLO CC(=O)NCC(=O)NC1(CO)CC[NH+](CC(N)=O)CC1 ZINC001503831476 893867536 /nfs/dbraw/zinc/86/75/36/893867536.db2.gz UVOGYJLGOAYGOU-UHFFFAOYSA-N 1 2 286.332 -2.449 20 0 CAADLO NC(=O)C[NH+]1CCC(CO)(NC(=O)c2ccon2)CC1 ZINC001503865353 893868644 /nfs/dbraw/zinc/86/86/44/893868644.db2.gz FGYFAOIQTSZNMJ-UHFFFAOYSA-N 1 2 282.300 -1.283 20 0 CAADLO CNC(=O)CC(=O)NC[C@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001503593262 893869699 /nfs/dbraw/zinc/86/96/99/893869699.db2.gz TULMEYUNGWWIGY-VIFPVBQESA-N 1 2 295.343 -1.280 20 0 CAADLO NC(=O)C[NH+]1CCC(CO)(NC(=O)c2n[nH]cc2F)CC1 ZINC001505387165 893872850 /nfs/dbraw/zinc/87/28/50/893872850.db2.gz GCGNDUIPONAPDE-UHFFFAOYSA-N 1 2 299.306 -1.409 20 0 CAADLO C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)NC(=O)C(N)=O ZINC001505402003 893874964 /nfs/dbraw/zinc/87/49/64/893874964.db2.gz FFGZRARUXIDNPJ-DJLDLDEBSA-N 1 2 293.327 -1.370 20 0 CAADLO C[C@@H](CNC(=O)[C@H]1CCNC1=O)NC(=O)Cc1c[nH]c[nH+]1 ZINC001505449001 893877915 /nfs/dbraw/zinc/87/79/15/893877915.db2.gz ORJRSEBOOUILBS-WPRPVWTQSA-N 1 2 293.327 -1.291 20 0 CAADLO CCCCn1nnnc1C[NH2+][C@H](C)[C@@H](C)NC(=O)C(N)=O ZINC001505682407 893889463 /nfs/dbraw/zinc/88/94/63/893889463.db2.gz SFBIBVLEDDCECD-RKDXNWHRSA-N 1 2 297.363 -1.059 20 0 CAADLO Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]1CNC(=O)C(N)=O ZINC001505857138 893893005 /nfs/dbraw/zinc/89/30/05/893893005.db2.gz NHQFEEHYBDEPLL-QMMMGPOBSA-N 1 2 279.300 -1.537 20 0 CAADLO CC(=O)NCC(=O)N1CC[C@@H]1CNC(=O)Cc1[nH]cc[nH+]1 ZINC001505847027 893893407 /nfs/dbraw/zinc/89/34/07/893893407.db2.gz ZNHDRYYUJYKEHV-SNVBAGLBSA-N 1 2 293.327 -1.195 20 0 CAADLO C[C@@H](NC(=O)CCCC(N)=O)[C@@H](C)[NH2+]Cc1nnn(C)n1 ZINC001505765441 893895121 /nfs/dbraw/zinc/89/51/21/893895121.db2.gz SKPVLQADTGKAAQ-RKDXNWHRSA-N 1 2 297.363 -1.152 20 0 CAADLO NC(=O)CC(=O)N1CC[C@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001505810272 893895325 /nfs/dbraw/zinc/89/53/25/893895325.db2.gz DYYXLSGAZZIGSG-JTQLQIEISA-N 1 2 293.327 -1.134 20 0 CAADLO Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H]1CNC(=O)C(N)=O ZINC001505857137 893896165 /nfs/dbraw/zinc/89/61/65/893896165.db2.gz NHQFEEHYBDEPLL-MRVPVSSYSA-N 1 2 279.300 -1.537 20 0 CAADLO NC(=O)CC(=O)N1CC[C@@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001505810273 893896733 /nfs/dbraw/zinc/89/67/33/893896733.db2.gz DYYXLSGAZZIGSG-SNVBAGLBSA-N 1 2 293.327 -1.134 20 0 CAADLO C[C@@H](CNC(=O)c1nnn(C)n1)[N@H+](C)Cc1cnnn1C ZINC001505981544 893903924 /nfs/dbraw/zinc/90/39/24/893903924.db2.gz QTZAANMUVYYONE-QMMMGPOBSA-N 1 2 293.335 -1.411 20 0 CAADLO C[C@@H](CNC(=O)c1nnn(C)n1)[N@@H+](C)Cc1cnnn1C ZINC001505981544 893903937 /nfs/dbraw/zinc/90/39/37/893903937.db2.gz QTZAANMUVYYONE-QMMMGPOBSA-N 1 2 293.335 -1.411 20 0 CAADLO C[C@@H](CNC(=O)C(N)=O)[N@H+](C)Cc1cncn1C ZINC001505992750 893909223 /nfs/dbraw/zinc/90/92/23/893909223.db2.gz HTGQSWYCYBTRKJ-QMMMGPOBSA-N 1 2 253.306 -1.158 20 0 CAADLO C[C@@H](CNC(=O)C(N)=O)[N@@H+](C)Cc1cncn1C ZINC001505992750 893909237 /nfs/dbraw/zinc/90/92/37/893909237.db2.gz HTGQSWYCYBTRKJ-QMMMGPOBSA-N 1 2 253.306 -1.158 20 0 CAADLO C[C@H](CNC(=O)C(N)=O)[N@H+](C)Cc1cncn1C ZINC001505992749 893909788 /nfs/dbraw/zinc/90/97/88/893909788.db2.gz HTGQSWYCYBTRKJ-MRVPVSSYSA-N 1 2 253.306 -1.158 20 0 CAADLO C[C@H](CNC(=O)C(N)=O)[N@@H+](C)Cc1cncn1C ZINC001505992749 893909802 /nfs/dbraw/zinc/90/98/02/893909802.db2.gz HTGQSWYCYBTRKJ-MRVPVSSYSA-N 1 2 253.306 -1.158 20 0 CAADLO O=C(Cn1cccn1)NC1(CCO)C[NH+](CCO)C1 ZINC001506079818 893917880 /nfs/dbraw/zinc/91/78/80/893917880.db2.gz XSJGKSMBYNWTIK-UHFFFAOYSA-N 1 2 268.317 -1.572 20 0 CAADLO CC(=O)N[C@H](C)C(=O)NC1(CCO)C[NH+](C[C@@H](C)O)C1 ZINC001506078293 893918528 /nfs/dbraw/zinc/91/85/28/893918528.db2.gz RFLPUPZPSXAVQQ-NXEZZACHSA-N 1 2 287.360 -1.555 20 0 CAADLO O=C(C[C@@H]1COC(=O)C1)NC1(CCO)C[NH+](CCO)C1 ZINC001506090813 893919505 /nfs/dbraw/zinc/91/95/05/893919505.db2.gz YUEXRBUIOZDXBZ-JTQLQIEISA-N 1 2 286.328 -1.515 20 0 CAADLO COC1CC(C(=O)NC2(CCO)C[NH+](CCO)C2)C1 ZINC001506102563 893919608 /nfs/dbraw/zinc/91/96/08/893919608.db2.gz SAOCYMLFUAAWGS-UHFFFAOYSA-N 1 2 272.345 -1.043 20 0 CAADLO C[C@@H](O)C[NH+]1CC(CCO)(NC(=O)Cc2ccn(C)n2)C1 ZINC001506096604 893920999 /nfs/dbraw/zinc/92/09/99/893920999.db2.gz SJIXELZCHBGZBM-LLVKDONJSA-N 1 2 296.371 -1.104 20 0 CAADLO CN1C[C@H](C(=O)NC2(CCO)C[NH+](CCO)C2)CC1=O ZINC001506099860 893921290 /nfs/dbraw/zinc/92/12/90/893921290.db2.gz XCTNQKOYSWEZJE-SNVBAGLBSA-N 1 2 285.344 -1.990 20 0 CAADLO O=C(C[C@H]1CCNC1=O)NC1(CCO)C[NH+](CCCO)C1 ZINC001506101185 893921311 /nfs/dbraw/zinc/92/13/11/893921311.db2.gz RFMYSFJUNZQMQL-LLVKDONJSA-N 1 2 299.371 -1.552 20 0 CAADLO CCOCCC[NH+]1CC(CCO)(NC(=O)C(N)=O)C1 ZINC001506117095 893921553 /nfs/dbraw/zinc/92/15/53/893921553.db2.gz VDSKJNSGHFHVQJ-UHFFFAOYSA-N 1 2 273.333 -1.549 20 0 CAADLO C[C@@H](CC(N)=O)C(=O)NC1(CCO)C[NH+](CCO)C1 ZINC001506110462 893921689 /nfs/dbraw/zinc/92/16/89/893921689.db2.gz RACCCIZRXOBZGV-VIFPVBQESA-N 1 2 273.333 -1.957 20 0 CAADLO COCCCCC[NH+]1CC(CCO)(NC(=O)C(N)=O)C1 ZINC001506116958 893922186 /nfs/dbraw/zinc/92/21/86/893922186.db2.gz PKVKGSRPBDZXLC-UHFFFAOYSA-N 1 2 287.360 -1.159 20 0 CAADLO O=C(Cn1cncn1)NC1(CCO)C[NH+](CCO)C1 ZINC001506134365 893923257 /nfs/dbraw/zinc/92/32/57/893923257.db2.gz AEFFKMPZUZKCQI-UHFFFAOYSA-N 1 2 269.305 -2.177 20 0 CAADLO NC(=O)CC(=O)NC1(CNC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001506217847 893925209 /nfs/dbraw/zinc/92/52/09/893925209.db2.gz WAKAOTJMUJLFRP-UHFFFAOYSA-N 1 2 279.300 -1.407 20 0 CAADLO COCC[NH+]1CC(CCO)(NC(=O)CCn2cnnn2)C1 ZINC001506123405 893925343 /nfs/dbraw/zinc/92/53/43/893925343.db2.gz IZBZZOHAASLOOY-UHFFFAOYSA-N 1 2 298.347 -1.737 20 0 CAADLO NC(=O)CC(=O)NC1(CNC(=O)Cn2cc[nH+]c2)CC1 ZINC001506128193 893925777 /nfs/dbraw/zinc/92/57/77/893925777.db2.gz OPEPLGGOMFULHN-UHFFFAOYSA-N 1 2 279.300 -1.477 20 0 CAADLO O=C(CCc1ncccn1)NC1(CCO)C[NH+](CCO)C1 ZINC001506124024 893925983 /nfs/dbraw/zinc/92/59/83/893925983.db2.gz MAIDQPXFCLYFMM-UHFFFAOYSA-N 1 2 294.355 -1.046 20 0 CAADLO CN(C(=O)CC(N)=O)C1CN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001506273282 893927395 /nfs/dbraw/zinc/92/73/95/893927395.db2.gz UODLIPZLDKVRAL-UHFFFAOYSA-N 1 2 279.300 -1.503 20 0 CAADLO C[C@]1(NC(=O)CCc2c[nH]c[nH+]2)CCN(C(=O)C(N)=O)C1 ZINC001506459569 893931413 /nfs/dbraw/zinc/93/14/13/893931413.db2.gz HJKSNZBCIABXNR-ZDUSSCGKSA-N 1 2 293.327 -1.065 20 0 CAADLO C[C@]1(NC(=O)CCc2c[nH+]c[nH]2)CCN(C(=O)C(N)=O)C1 ZINC001506459569 893931426 /nfs/dbraw/zinc/93/14/26/893931426.db2.gz HJKSNZBCIABXNR-ZDUSSCGKSA-N 1 2 293.327 -1.065 20 0 CAADLO C[C@@H](NC(=O)C(F)F)C1C[NH+](CC(=O)NC(N)=O)C1 ZINC001506581537 893931603 /nfs/dbraw/zinc/93/16/03/893931603.db2.gz DRODGZBFMXIJSL-RXMQYKEDSA-N 1 2 278.259 -1.117 20 0 CAADLO CCCC[C@H](C[NH2+]Cc1nc(=O)n(C)[nH]1)NC(=O)C(N)=O ZINC001506544732 893932735 /nfs/dbraw/zinc/93/27/35/893932735.db2.gz JYJNLBFDSLPPFC-MRVPVSSYSA-N 1 2 298.347 -1.642 20 0 CAADLO CNC(=O)C[NH+]1CC([C@H](C)NC(=O)CCCC(N)=O)C1 ZINC001506682203 893934305 /nfs/dbraw/zinc/93/43/05/893934305.db2.gz LPTYOYZCDCRUCI-VIFPVBQESA-N 1 2 284.360 -1.176 20 0 CAADLO C[C@@H](NC(=O)Cn1ncnn1)C1C[NH+](CC(N)=O)C1 ZINC001506624476 893935322 /nfs/dbraw/zinc/93/53/22/893935322.db2.gz UWGNQJHSJRMAED-SSDOTTSWSA-N 1 2 267.293 -2.405 20 0 CAADLO C[C@H](NC(=O)Cn1ncnn1)C1C[NH+](CC(N)=O)C1 ZINC001506624480 893936255 /nfs/dbraw/zinc/93/62/55/893936255.db2.gz UWGNQJHSJRMAED-ZETCQYMHSA-N 1 2 267.293 -2.405 20 0 CAADLO CCNC(=O)C[NH+]1CC([C@@H](C)NC(=O)[C@H](C)NC(N)=O)C1 ZINC001506623701 893936094 /nfs/dbraw/zinc/93/60/94/893936094.db2.gz YXVFPPKYAUOOER-BDAKNGLRSA-N 1 2 299.375 -1.384 20 0 CAADLO C[C@H](NC(=O)Cn1cc[nH+]c1)C1CN(CC(N)=O)C1 ZINC001506683772 893936233 /nfs/dbraw/zinc/93/62/33/893936233.db2.gz UVRBCWGZGPVQMA-VIFPVBQESA-N 1 2 265.317 -1.195 20 0 CAADLO CCNC(=O)CCC(=O)N[C@H](C)C1C[NH+](CC(N)=O)C1 ZINC001506598352 893936418 /nfs/dbraw/zinc/93/64/18/893936418.db2.gz DDYBLGYGQOPBKJ-SECBINFHSA-N 1 2 284.360 -1.176 20 0 CAADLO CCNC(=O)C[NH+]1CC([C@H](C)NC(=O)[C@H]2CCC(=O)N2)C1 ZINC001506602351 893936496 /nfs/dbraw/zinc/93/64/96/893936496.db2.gz WKBLJSGHHMIWRO-GXSJLCMTSA-N 1 2 296.371 -1.162 20 0 CAADLO CNC(=O)C[NH+]1CC([C@@H](C)NC(=O)CCCC(N)=O)C1 ZINC001506682201 893936821 /nfs/dbraw/zinc/93/68/21/893936821.db2.gz LPTYOYZCDCRUCI-SECBINFHSA-N 1 2 284.360 -1.176 20 0 CAADLO CCNC(=O)CCC(=O)N[C@@H](C)C1C[NH+](CC(N)=O)C1 ZINC001506598354 893937011 /nfs/dbraw/zinc/93/70/11/893937011.db2.gz DDYBLGYGQOPBKJ-VIFPVBQESA-N 1 2 284.360 -1.176 20 0 CAADLO CCn1ncc(C[N@H+]2C[C@@H]3[C@@H](CNC(=O)C(N)=O)[C@@H]3C2)n1 ZINC001506804984 893943229 /nfs/dbraw/zinc/94/32/29/893943229.db2.gz NXJOBVZOAVGTTQ-RTCCRHLQSA-N 1 2 292.343 -1.423 20 0 CAADLO CCn1ncc(C[N@@H+]2C[C@@H]3[C@@H](CNC(=O)C(N)=O)[C@@H]3C2)n1 ZINC001506804984 893943248 /nfs/dbraw/zinc/94/32/48/893943248.db2.gz NXJOBVZOAVGTTQ-RTCCRHLQSA-N 1 2 292.343 -1.423 20 0 CAADLO Cn1nnnc1C[N@H+]1C[C@@H]2[C@@H](CNC(=O)C(N)=O)[C@@H]2C1 ZINC001506803671 893943694 /nfs/dbraw/zinc/94/36/94/893943694.db2.gz LMEVFJGLGWBLDR-WHUPJOBBSA-N 1 2 279.304 -2.511 20 0 CAADLO Cn1nnnc1C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C(N)=O)[C@@H]2C1 ZINC001506803671 893943705 /nfs/dbraw/zinc/94/37/05/893943705.db2.gz LMEVFJGLGWBLDR-WHUPJOBBSA-N 1 2 279.304 -2.511 20 0 CAADLO Cn1cnnc1C[N@H+]1C[C@@H]2[C@@H](CNC(=O)C(N)=O)[C@@H]2C1 ZINC001506806530 893944001 /nfs/dbraw/zinc/94/40/01/893944001.db2.gz SMTWQECYSGKQKZ-PSVAKVPMSA-N 1 2 278.316 -1.906 20 0 CAADLO Cn1cnnc1C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C(N)=O)[C@@H]2C1 ZINC001506806530 893944012 /nfs/dbraw/zinc/94/40/12/893944012.db2.gz SMTWQECYSGKQKZ-PSVAKVPMSA-N 1 2 278.316 -1.906 20 0 CAADLO CC(=O)NCC(=O)NC[C@H](CO)[NH2+]Cc1nncn1C ZINC001507166535 893959411 /nfs/dbraw/zinc/95/94/11/893959411.db2.gz GUPGJYLVPZMAQK-SECBINFHSA-N 1 2 284.320 -2.482 20 0 CAADLO C[C@@H](CN(C)C(=O)Cc1ncn[nH]1)[NH2+][C@@H](C)C(N)=O ZINC001507144981 893959797 /nfs/dbraw/zinc/95/97/97/893959797.db2.gz RMYRUBNXGZUNAV-YUMQZZPRSA-N 1 2 268.321 -1.343 20 0 CAADLO C[C@@H]([NH2+][C@@H](C)CN(C)C(=O)Cc1ncn[nH]1)C(N)=O ZINC001507144979 893960380 /nfs/dbraw/zinc/96/03/80/893960380.db2.gz RMYRUBNXGZUNAV-JGVFFNPUSA-N 1 2 268.321 -1.343 20 0 CAADLO C[C@@H](CN(C)C(=O)c1cnon1)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001507138030 893961476 /nfs/dbraw/zinc/96/14/76/893961476.db2.gz FTAGJAFWVYGXQP-ZETCQYMHSA-N 1 2 295.303 -1.258 20 0 CAADLO Cn1cnnc1C[NH2+][C@@H](CO)CNC(=O)C(F)F ZINC001507165706 893962172 /nfs/dbraw/zinc/96/21/72/893962172.db2.gz FABKQTGHGAKBKH-ZCFIWIBFSA-N 1 2 263.248 -1.353 20 0 CAADLO CCn1ncnc1C[NH2+][C@@H](CO)CNC(=O)COC ZINC001507168379 893964975 /nfs/dbraw/zinc/96/49/75/893964975.db2.gz PLTKSEFUULRIQJ-SECBINFHSA-N 1 2 271.321 -1.489 20 0 CAADLO Cn1nnnc1C[NH2+][C@@H](CO)CNC(=O)c1ccccn1 ZINC001507167755 893966194 /nfs/dbraw/zinc/96/61/94/893966194.db2.gz NTZLKBRZXWQMSD-SECBINFHSA-N 1 2 291.315 -1.514 20 0 CAADLO Cn1ncnc1C[NH2+][C@@H](CO)CNC(=O)[C@H]1CCCO1 ZINC001507174177 893969532 /nfs/dbraw/zinc/96/95/32/893969532.db2.gz HVTHOTRSAJPJCI-NXEZZACHSA-N 1 2 283.332 -1.439 20 0 CAADLO C[C@H]([NH2+][C@H](CO)CNC(=O)c1ccc[nH]1)c1nnnn1C ZINC001507173288 893969912 /nfs/dbraw/zinc/96/99/12/893969912.db2.gz RYZVUNYMFKERSD-IUCAKERBSA-N 1 2 293.331 -1.020 20 0 CAADLO CCn1ncnc1C[NH2+][C@@H](CO)CNC(=O)c1ccn[nH]1 ZINC001507178516 893972910 /nfs/dbraw/zinc/97/29/10/893972910.db2.gz RWACNNPZICXONV-SECBINFHSA-N 1 2 293.331 -1.098 20 0 CAADLO Cn1cnnc1C[NH2+][C@@H](CO)CNC(=O)c1cnsn1 ZINC001507177656 893973175 /nfs/dbraw/zinc/97/31/75/893973175.db2.gz BQMSEWVNRVFIEA-SSDOTTSWSA-N 1 2 297.344 -1.453 20 0 CAADLO Cn1ncnc1C[NH2+][C@H](CO)CNC(=O)[C@@H]1CCCOC1 ZINC001507177616 893973740 /nfs/dbraw/zinc/97/37/40/893973740.db2.gz HSAMFVKGWHHVCY-MNOVXSKESA-N 1 2 297.359 -1.192 20 0 CAADLO C[C@H]([NH2+][C@H](CO)CNC(=O)c1ccon1)c1nnnn1C ZINC001507178539 893973939 /nfs/dbraw/zinc/97/39/39/893973939.db2.gz IJTFXHGZDHJHSV-YUMQZZPRSA-N 1 2 295.303 -1.360 20 0 CAADLO Cc1conc1C[NH2+][C@H](CO)CNC(=O)[C@H]1COCCO1 ZINC001507179366 893974504 /nfs/dbraw/zinc/97/45/04/893974504.db2.gz WRUKCLFNWZRUGL-CMPLNLGQSA-N 1 2 299.327 -1.035 20 0 CAADLO Cn1nnnc1C[NH2+][C@H](CO)CNC(=O)[C@H]1CCC(=O)N1 ZINC001507179819 893975167 /nfs/dbraw/zinc/97/51/67/893975167.db2.gz RMWACGNCWDQKPD-JGVFFNPUSA-N 1 2 297.319 -2.945 20 0 CAADLO CCn1cc(C[NH2+][C@@H](CO)CNC(=O)[C@@H](C)OC)nn1 ZINC001507178069 893975384 /nfs/dbraw/zinc/97/53/84/893975384.db2.gz FIUSCTIVNDSBEQ-MWLCHTKSSA-N 1 2 285.348 -1.100 20 0 CAADLO CCC(=O)NCC(=O)NC[C@H](CO)[NH2+]Cc1nncn1C ZINC001507179144 893975705 /nfs/dbraw/zinc/97/57/05/893975705.db2.gz PBEXIOIUHTUBGD-SECBINFHSA-N 1 2 298.347 -2.092 20 0 CAADLO CC(C)OCC(=O)NC[C@H](CO)[NH2+]Cc1nnnn1C ZINC001507181625 893978055 /nfs/dbraw/zinc/97/80/55/893978055.db2.gz XFAVOPCGGLFHKQ-SECBINFHSA-N 1 2 286.336 -1.798 20 0 CAADLO CC(C)OCC(=O)NC[C@@H](CO)[NH2+]Cc1nnnn1C ZINC001507181626 893980545 /nfs/dbraw/zinc/98/05/45/893980545.db2.gz XFAVOPCGGLFHKQ-VIFPVBQESA-N 1 2 286.336 -1.798 20 0 CAADLO Cn1cc(C[NH2+][C@H](CO)CNC(=O)[C@H]2CCCCO2)nn1 ZINC001507187933 893983155 /nfs/dbraw/zinc/98/31/55/893983155.db2.gz IFMZJBUUYWNXMO-NWDGAFQWSA-N 1 2 297.359 -1.049 20 0 CAADLO Cn1cc(C[NH2+][C@H](CO)CNC(=O)[C@@H]2CCCCO2)nn1 ZINC001507187935 893984743 /nfs/dbraw/zinc/98/47/43/893984743.db2.gz IFMZJBUUYWNXMO-RYUDHWBXSA-N 1 2 297.359 -1.049 20 0 CAADLO Cc1nc(C[NH2+][C@H](CO)CNC(=O)c2cnnn2C)co1 ZINC001507192686 893986387 /nfs/dbraw/zinc/98/63/87/893986387.db2.gz FVYKMAYQEZHUKF-VIFPVBQESA-N 1 2 294.315 -1.008 20 0 CAADLO Cn1nncc1C(=O)NC[C@H](CO)[NH2+]Cc1ccon1 ZINC001507195133 893987656 /nfs/dbraw/zinc/98/76/56/893987656.db2.gz MUQMAOXAXICASV-SECBINFHSA-N 1 2 280.288 -1.316 20 0 CAADLO Cc1oncc1C[NH2+][C@@H](CO)CNC(=O)c1cn[nH]n1 ZINC001507212694 893996342 /nfs/dbraw/zinc/99/63/42/893996342.db2.gz XEXFXFDKTWVTOL-SECBINFHSA-N 1 2 280.288 -1.018 20 0 CAADLO Cc1oncc1C[NH2+][C@@H](CO)CNC(=O)c1cnn[nH]1 ZINC001507212694 893996364 /nfs/dbraw/zinc/99/63/64/893996364.db2.gz XEXFXFDKTWVTOL-SECBINFHSA-N 1 2 280.288 -1.018 20 0 CAADLO Cn1ncc(C[NH2+][C@@H](CO)CNC(=O)c2csnn2)n1 ZINC001507222059 894002737 /nfs/dbraw/zinc/00/27/37/894002737.db2.gz JEDREDBFPKZTKF-MRVPVSSYSA-N 1 2 297.344 -1.453 20 0 CAADLO Cc1nonc1C[NH2+][C@@H](CO)CNC(=O)[C@H]1CCNC1=O ZINC001507225893 894004504 /nfs/dbraw/zinc/00/45/04/894004504.db2.gz OUQHOXTVNGFMIM-BDAKNGLRSA-N 1 2 297.315 -1.919 20 0 CAADLO Cc1nonc1C[NH2+][C@H](CO)CNC(=O)[C@@H]1CCNC1=O ZINC001507225894 894006697 /nfs/dbraw/zinc/00/66/97/894006697.db2.gz OUQHOXTVNGFMIM-DTWKUNHWSA-N 1 2 297.315 -1.919 20 0 CAADLO Cc1cc(C[NH2+][C@H](CO)CNC(=O)C(N)=O)on1 ZINC001507233122 894009934 /nfs/dbraw/zinc/00/99/34/894009934.db2.gz SNMKEVYXGSDSOU-ZETCQYMHSA-N 1 2 256.262 -1.965 20 0 CAADLO CN(C)C(=O)C[NH2+][C@@H](CO)CNC(=O)C1=NC(=O)N(C)C1 ZINC001507234653 894010710 /nfs/dbraw/zinc/01/07/10/894010710.db2.gz AAGVJVGMDKDREG-MRVPVSSYSA-N 1 2 299.331 -2.106 20 0 CAADLO NC(=O)C1(C(=O)NC[C@H](CO)[NH2+]Cc2cscn2)CC1 ZINC001507232096 894011203 /nfs/dbraw/zinc/01/12/03/894011203.db2.gz LSGVRLUZHKFSIU-MRVPVSSYSA-N 1 2 298.368 -1.025 20 0 CAADLO Cn1cc(C[NH2+][C@H](CO)CNC(=O)[C@H]2C[C@H]2C(N)=O)nn1 ZINC001507233201 894011397 /nfs/dbraw/zinc/01/13/97/894011397.db2.gz QTJQCBYJLHMBTB-AEJSXWLSSA-N 1 2 296.331 -2.497 20 0 CAADLO CNC(=O)[C@@H](C)[NH2+][C@H](CO)CNC(=O)C1=NC(=O)N(C)C1 ZINC001507235183 894012304 /nfs/dbraw/zinc/01/23/04/894012304.db2.gz MISMJUOXZOFFKW-SFYZADRCSA-N 1 2 299.331 -2.060 20 0 CAADLO NC(=O)C1(C(=O)NC[C@@H](CO)[NH2+]Cc2cscn2)CC1 ZINC001507232098 894012348 /nfs/dbraw/zinc/01/23/48/894012348.db2.gz LSGVRLUZHKFSIU-QMMMGPOBSA-N 1 2 298.368 -1.025 20 0 CAADLO Cc1cnc(C[NH2+][C@H](CO)CNC(=O)C(N)=O)cn1 ZINC001507231021 894012571 /nfs/dbraw/zinc/01/25/71/894012571.db2.gz FLZLATHWYPREDL-VIFPVBQESA-N 1 2 267.289 -2.163 20 0 CAADLO Cc1cc(C[NH2+][C@@H](CO)CNC(=O)C(N)=O)on1 ZINC001507233121 894012672 /nfs/dbraw/zinc/01/26/72/894012672.db2.gz SNMKEVYXGSDSOU-SSDOTTSWSA-N 1 2 256.262 -1.965 20 0 CAADLO Cn1cc(C[NH2+][C@H](CO)CNC(=O)c2n[nH]cc2F)nn1 ZINC001507234890 894013636 /nfs/dbraw/zinc/01/36/36/894013636.db2.gz GTOGGIXFPMCTCU-QMMMGPOBSA-N 1 2 297.294 -1.442 20 0 CAADLO CN(C)C(=O)C[NH2+][C@@H](CO)CNC(=O)CCc1cnn[nH]1 ZINC001507239936 894014906 /nfs/dbraw/zinc/01/49/06/894014906.db2.gz OXBRDYNZYNELFE-SNVBAGLBSA-N 1 2 298.347 -2.108 20 0 CAADLO Cc1cnc(C[NH2+][C@@H](CO)CNC(=O)c2nnc[nH]2)cn1 ZINC001507238451 894015166 /nfs/dbraw/zinc/01/51/66/894015166.db2.gz JMGXPVIBGZYBAH-SNVBAGLBSA-N 1 2 291.315 -1.216 20 0 CAADLO Cc1noc(CN[C@H](CO)CNC(=O)Cc2c[nH]c[nH+]2)n1 ZINC001507238491 894015299 /nfs/dbraw/zinc/01/52/99/894015299.db2.gz IYGAXVDMAAGRAC-JTQLQIEISA-N 1 2 294.315 -1.089 20 0 CAADLO CCn1cc(C[NH2+][C@@H](CO)CNC(=O)c2cnon2)nn1 ZINC001507238414 894017385 /nfs/dbraw/zinc/01/73/85/894017385.db2.gz JEAMVLNLVNYFOZ-SECBINFHSA-N 1 2 295.303 -1.439 20 0 CAADLO Cn1nnnc1C[NH2+][C@H](CO)CNC(=O)c1ncccn1 ZINC001507242069 894018158 /nfs/dbraw/zinc/01/81/58/894018158.db2.gz DQKIKEBZXUJTHR-QMMMGPOBSA-N 1 2 292.303 -2.119 20 0 CAADLO Cn1ncnc1C[NH2+][C@@H](CO)CNC(=O)c1cccnn1 ZINC001507243817 894021253 /nfs/dbraw/zinc/02/12/53/894021253.db2.gz LZBWGIKCJVIZHJ-SECBINFHSA-N 1 2 291.315 -1.514 20 0 CAADLO Cc1conc1C(=O)NC[C@@H](CO)[NH2+]Cc1nncn1C ZINC001507250052 894021600 /nfs/dbraw/zinc/02/16/00/894021600.db2.gz QEBYTHDXUHABOX-VIFPVBQESA-N 1 2 294.315 -1.008 20 0 CAADLO Cc1cnoc1C(=O)NC[C@@H](CO)[NH2+]Cc1nncn1C ZINC001507249626 894024350 /nfs/dbraw/zinc/02/43/50/894024350.db2.gz VNLMPVHDOOBVGY-VIFPVBQESA-N 1 2 294.315 -1.008 20 0 CAADLO Cn1nnnc1C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCC(=O)N1 ZINC001507252907 894030239 /nfs/dbraw/zinc/03/02/39/894030239.db2.gz RMWACGNCWDQKPD-SFYZADRCSA-N 1 2 297.319 -2.945 20 0 CAADLO Cn1ncnc1C[NH2+][C@@H](CO)CNC(=O)Cc1ccc[nH]1 ZINC001507265399 894032891 /nfs/dbraw/zinc/03/28/91/894032891.db2.gz PSTBCONEZSCPIH-LLVKDONJSA-N 1 2 292.343 -1.047 20 0 CAADLO C[C@@H]1[C@H](NC(=O)C2(C(N)=O)CC2)CCC[N@@H+]1CC(N)=O ZINC001507382465 894038074 /nfs/dbraw/zinc/03/80/74/894038074.db2.gz LZKIXETYKYFEAN-RKDXNWHRSA-N 1 2 282.344 -1.294 20 0 CAADLO C[C@@H]1[C@H](NC(=O)C2(C(N)=O)CC2)CCC[N@H+]1CC(N)=O ZINC001507382465 894038089 /nfs/dbraw/zinc/03/80/89/894038089.db2.gz LZKIXETYKYFEAN-RKDXNWHRSA-N 1 2 282.344 -1.294 20 0 CAADLO C[C@@H]1[C@@H](NC(=O)C2(C(N)=O)CC2)CCC[N@@H+]1CC(N)=O ZINC001507382452 894039273 /nfs/dbraw/zinc/03/92/73/894039273.db2.gz LZKIXETYKYFEAN-BDAKNGLRSA-N 1 2 282.344 -1.294 20 0 CAADLO C[C@@H]1[C@@H](NC(=O)C2(C(N)=O)CC2)CCC[N@H+]1CC(N)=O ZINC001507382452 894039292 /nfs/dbraw/zinc/03/92/92/894039292.db2.gz LZKIXETYKYFEAN-BDAKNGLRSA-N 1 2 282.344 -1.294 20 0 CAADLO C[C@H]1[C@H](NC(=O)C2(C(N)=O)CC2)CCC[N@@H+]1CC(N)=O ZINC001507382454 894040901 /nfs/dbraw/zinc/04/09/01/894040901.db2.gz LZKIXETYKYFEAN-DTWKUNHWSA-N 1 2 282.344 -1.294 20 0 CAADLO C[C@H]1[C@H](NC(=O)C2(C(N)=O)CC2)CCC[N@H+]1CC(N)=O ZINC001507382454 894040914 /nfs/dbraw/zinc/04/09/14/894040914.db2.gz LZKIXETYKYFEAN-DTWKUNHWSA-N 1 2 282.344 -1.294 20 0 CAADLO C[C@H]1[C@@H](NC(=O)C2(C(N)=O)CC2)CCC[N@@H+]1CC(N)=O ZINC001507382463 894040941 /nfs/dbraw/zinc/04/09/41/894040941.db2.gz LZKIXETYKYFEAN-IUCAKERBSA-N 1 2 282.344 -1.294 20 0 CAADLO C[C@H]1[C@@H](NC(=O)C2(C(N)=O)CC2)CCC[N@H+]1CC(N)=O ZINC001507382463 894040955 /nfs/dbraw/zinc/04/09/55/894040955.db2.gz LZKIXETYKYFEAN-IUCAKERBSA-N 1 2 282.344 -1.294 20 0 CAADLO CC(C)c1nnc(C[NH2+]C[C@H](O)CN(C)C(=O)C(N)=O)o1 ZINC001507502896 894061020 /nfs/dbraw/zinc/06/10/20/894061020.db2.gz QLJCYQTXJFVZKS-QMMMGPOBSA-N 1 2 299.331 -1.413 20 0 CAADLO CN(C[C@@H](O)C[NH2+]Cc1nnc(C2CC2)o1)C(=O)C(N)=O ZINC001507502734 894063533 /nfs/dbraw/zinc/06/35/33/894063533.db2.gz NNYUHGJPYCWKMG-QMMMGPOBSA-N 1 2 297.315 -1.659 20 0 CAADLO CN(C[C@H](O)C[N@H+](C)CC(N)=O)C(=O)c1ccn[nH]1 ZINC001507588993 894069857 /nfs/dbraw/zinc/06/98/57/894069857.db2.gz WGJYCAKHUHQUBX-MRVPVSSYSA-N 1 2 269.305 -1.740 20 0 CAADLO CN(C[C@H](O)C[N@@H+](C)CC(N)=O)C(=O)c1ccn[nH]1 ZINC001507588993 894069876 /nfs/dbraw/zinc/06/98/76/894069876.db2.gz WGJYCAKHUHQUBX-MRVPVSSYSA-N 1 2 269.305 -1.740 20 0 CAADLO CN(C[C@H](O)C[N@H+](C)CC(N)=O)C(=O)CCc1nnc[nH]1 ZINC001507603966 894072728 /nfs/dbraw/zinc/07/27/28/894072728.db2.gz MXDKRWZEQKSKBR-SECBINFHSA-N 1 2 298.347 -2.026 20 0 CAADLO CN(C[C@H](O)C[N@@H+](C)CC(N)=O)C(=O)CCc1nnc[nH]1 ZINC001507603966 894072746 /nfs/dbraw/zinc/07/27/46/894072746.db2.gz MXDKRWZEQKSKBR-SECBINFHSA-N 1 2 298.347 -2.026 20 0 CAADLO CCc1cnc(C[N@H+](C)C[C@@H](O)CN(C)C(=O)C(N)=O)o1 ZINC001507694491 894076722 /nfs/dbraw/zinc/07/67/22/894076722.db2.gz UTELCIHTKHYNJP-SECBINFHSA-N 1 2 298.343 -1.027 20 0 CAADLO CCc1cnc(C[N@@H+](C)C[C@@H](O)CN(C)C(=O)C(N)=O)o1 ZINC001507694491 894076741 /nfs/dbraw/zinc/07/67/41/894076741.db2.gz UTELCIHTKHYNJP-SECBINFHSA-N 1 2 298.343 -1.027 20 0 CAADLO CN(C[C@@H](O)C[N@H+](C)CC(N)=O)C(=O)CCc1nnc[nH]1 ZINC001507603971 894077355 /nfs/dbraw/zinc/07/73/55/894077355.db2.gz MXDKRWZEQKSKBR-VIFPVBQESA-N 1 2 298.347 -2.026 20 0 CAADLO CN(C[C@@H](O)C[N@@H+](C)CC(N)=O)C(=O)CCc1nnc[nH]1 ZINC001507603971 894077371 /nfs/dbraw/zinc/07/73/71/894077371.db2.gz MXDKRWZEQKSKBR-VIFPVBQESA-N 1 2 298.347 -2.026 20 0 CAADLO COCC[N@H+](CCNC(=O)c1cccc(=O)[nH]1)CC(N)=O ZINC001508042804 894078436 /nfs/dbraw/zinc/07/84/36/894078436.db2.gz CIFHMBQAWSSZGD-UHFFFAOYSA-N 1 2 296.327 -1.049 20 0 CAADLO COCC[N@@H+](CCNC(=O)c1cccc(=O)[nH]1)CC(N)=O ZINC001508042804 894078456 /nfs/dbraw/zinc/07/84/56/894078456.db2.gz CIFHMBQAWSSZGD-UHFFFAOYSA-N 1 2 296.327 -1.049 20 0 CAADLO CNC(=O)C[N@H+](C)CCN(C(=O)[C@H]1CNC(=O)N1)C(C)C ZINC001507831994 894080756 /nfs/dbraw/zinc/08/07/56/894080756.db2.gz YSENNZSTJLYBHH-SNVBAGLBSA-N 1 2 299.375 -1.417 20 0 CAADLO CNC(=O)C[N@@H+](C)CCN(C(=O)[C@H]1CNC(=O)N1)C(C)C ZINC001507831994 894080771 /nfs/dbraw/zinc/08/07/71/894080771.db2.gz YSENNZSTJLYBHH-SNVBAGLBSA-N 1 2 299.375 -1.417 20 0 CAADLO CNC(=O)C[N@H+](C)CCN(C(=O)[C@@H]1CNC(=O)N1)C(C)C ZINC001507831993 894083091 /nfs/dbraw/zinc/08/30/91/894083091.db2.gz YSENNZSTJLYBHH-JTQLQIEISA-N 1 2 299.375 -1.417 20 0 CAADLO CNC(=O)C[N@@H+](C)CCN(C(=O)[C@@H]1CNC(=O)N1)C(C)C ZINC001507831993 894083111 /nfs/dbraw/zinc/08/31/11/894083111.db2.gz YSENNZSTJLYBHH-JTQLQIEISA-N 1 2 299.375 -1.417 20 0 CAADLO C[C@@H](NC(=O)Cn1cc[nH+]c1)[C@H](C)NC(=O)CC(N)=O ZINC001508517800 894088834 /nfs/dbraw/zinc/08/88/34/894088834.db2.gz WRKPYBBRUXOATF-DTWKUNHWSA-N 1 2 281.316 -1.232 20 0 CAADLO C[C@H](NC(=O)Cc1c[nH+]cn1C)[C@H](C)NC(=O)C(N)=O ZINC001508589092 894088988 /nfs/dbraw/zinc/08/89/88/894088988.db2.gz AFWSDTHMFUEDSE-YUMQZZPRSA-N 1 2 281.316 -1.543 20 0 CAADLO C[C@@H](NC(=O)CC(N)=O)[C@@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001508517808 894090778 /nfs/dbraw/zinc/09/07/78/894090778.db2.gz WRKPYBBRUXOATF-RKDXNWHRSA-N 1 2 281.316 -1.232 20 0 CAADLO C[C@@H](CNC(=O)Cn1cc[nH+]c1)N(C)C(=O)C(N)=O ZINC001508935341 894092894 /nfs/dbraw/zinc/09/28/94/894092894.db2.gz XXOLXPHZDUCJAQ-QMMMGPOBSA-N 1 2 267.289 -1.669 20 0 CAADLO C[C@H](CNC(=O)Cn1cc[nH+]c1)N(C)C(=O)C(N)=O ZINC001508935340 894094285 /nfs/dbraw/zinc/09/42/85/894094285.db2.gz XXOLXPHZDUCJAQ-MRVPVSSYSA-N 1 2 267.289 -1.669 20 0 CAADLO C[C@@H](CNC(=O)C(N)=O)N(C)C(=O)Cn1cc[nH+]c1 ZINC001509056904 894097346 /nfs/dbraw/zinc/09/73/46/894097346.db2.gz RWFGOKMSZHCDSB-QMMMGPOBSA-N 1 2 267.289 -1.669 20 0 CAADLO C[C@H](CNC(=O)Cc1c[nH]c[nH+]1)N(C)C(=O)C(N)=O ZINC001509123353 894098617 /nfs/dbraw/zinc/09/86/17/894098617.db2.gz JGSKMUSAQVCLCH-SSDOTTSWSA-N 1 2 267.289 -1.599 20 0 CAADLO NC(=O)C(=O)NC1(CCO)CN(C(=O)Cn2cc[nH+]c2)C1 ZINC001509201045 894099316 /nfs/dbraw/zinc/09/93/16/894099316.db2.gz UMTFNYJGBSJJEZ-UHFFFAOYSA-N 1 2 295.299 -2.552 20 0 CAADLO C[C@@H](NC(=O)C(N)=O)C1CN(C(=O)CCn2cc[nH+]c2)C1 ZINC001509513497 894103242 /nfs/dbraw/zinc/10/32/42/894103242.db2.gz RVCAMPVWEAYOTD-SECBINFHSA-N 1 2 293.327 -1.278 20 0 CAADLO CN(C(=O)Cc1c[nH+]c[nH]1)[C@H](CNC(=O)C(N)=O)C1CC1 ZINC001510412237 894107842 /nfs/dbraw/zinc/10/78/42/894107842.db2.gz CSRPAGMZJWXNRT-SNVBAGLBSA-N 1 2 293.327 -1.209 20 0 CAADLO COCC(=O)NC[C@H](CO)NC(=O)Cn1cc[nH+]c1 ZINC001510817522 894117468 /nfs/dbraw/zinc/11/74/68/894117468.db2.gz BOLHESQGMHOTNY-SECBINFHSA-N 1 2 270.289 -1.877 20 0 CAADLO COCC(=O)NC[C@@H](CO)NC(=O)Cn1cc[nH+]c1 ZINC001510817536 894118510 /nfs/dbraw/zinc/11/85/10/894118510.db2.gz BOLHESQGMHOTNY-VIFPVBQESA-N 1 2 270.289 -1.877 20 0 CAADLO O=C(Cc1[nH]cc[nH+]1)N[C@H](CO)CNC(=O)[C@@H]1CCCO1 ZINC001510845736 894123210 /nfs/dbraw/zinc/12/32/10/894123210.db2.gz TUASTCYHEPFREV-UWVGGRQHSA-N 1 2 296.327 -1.276 20 0 CAADLO CC[C@@H](OC)C(=O)NC[C@H](CO)NC(=O)Cc1c[nH]c[nH+]1 ZINC001510878036 894128854 /nfs/dbraw/zinc/12/88/54/894128854.db2.gz TWWBOJACMIUPKQ-GHMZBOCLSA-N 1 2 298.343 -1.030 20 0 CAADLO CC[C@@H](OC)C(=O)NC[C@@H](CO)NC(=O)Cc1c[nH]c[nH+]1 ZINC001510878045 894129165 /nfs/dbraw/zinc/12/91/65/894129165.db2.gz TWWBOJACMIUPKQ-WDEREUQCSA-N 1 2 298.343 -1.030 20 0 CAADLO CC[C@H](OC)C(=O)NC[C@@H](CO)NC(=O)Cc1c[nH]c[nH+]1 ZINC001510878042 894129220 /nfs/dbraw/zinc/12/92/20/894129220.db2.gz TWWBOJACMIUPKQ-QWRGUYRKSA-N 1 2 298.343 -1.030 20 0 CAADLO O=C(Cc1c[nH]c[nH+]1)N[C@H](CO)CNC(=O)c1cocn1 ZINC001510875010 894129269 /nfs/dbraw/zinc/12/92/69/894129269.db2.gz YJANIQHZGONQSO-VIFPVBQESA-N 1 2 293.283 -1.153 20 0 CAADLO CO[C@H](C)CC(=O)NC[C@H](CO)NC(=O)Cc1c[nH]c[nH+]1 ZINC001510871060 894129913 /nfs/dbraw/zinc/12/99/13/894129913.db2.gz AOBVHNJYNKNRHL-MWLCHTKSSA-N 1 2 298.343 -1.030 20 0 CAADLO O=C(Cc1c[nH]c[nH+]1)N[C@H](CO)CNC(=O)c1ncc[nH]1 ZINC001510925371 894134104 /nfs/dbraw/zinc/13/41/04/894134104.db2.gz TXPFMOKAOMJRPN-VIFPVBQESA-N 1 2 292.299 -1.418 20 0 CAADLO CCO[C@@H](C)C(=O)N[C@H](CO)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001511133266 894152220 /nfs/dbraw/zinc/15/22/20/894152220.db2.gz NRGMASPMDUZZGR-ONGXEEELSA-N 1 2 298.343 -1.030 20 0 CAADLO CNC(=O)CC(=O)N[C@@H](CO)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001511131463 894152636 /nfs/dbraw/zinc/15/26/36/894152636.db2.gz DBTHZNRUVNLRKL-SECBINFHSA-N 1 2 297.315 -2.318 20 0 CAADLO O=C(Cc1c[nH]c[nH+]1)NC[C@H](CO)NC(=O)C1CC1 ZINC001511134726 894152875 /nfs/dbraw/zinc/15/28/75/894152875.db2.gz UREXGHGERIFQQI-SNVBAGLBSA-N 1 2 266.301 -1.045 20 0 CAADLO C[C@@H]1C[C@@H](NC(=O)CCn2cc[nH+]c2)CN1C(=O)C(N)=O ZINC001511284775 894154791 /nfs/dbraw/zinc/15/47/91/894154791.db2.gz GLORTBZHFCMJHO-NXEZZACHSA-N 1 2 293.327 -1.136 20 0 CAADLO CO[C@@H](C)C(=O)NC[C@@H](O)CN(C)C(=O)Cn1cc[nH+]c1 ZINC001511564967 894159724 /nfs/dbraw/zinc/15/97/24/894159724.db2.gz RTJUMTGBVBAASP-WDEREUQCSA-N 1 2 298.343 -1.147 20 0 CAADLO CN(C(=O)CCc1c[nH]c[nH+]1)C1CC(NC(=O)C(N)=O)C1 ZINC001511954404 894169272 /nfs/dbraw/zinc/16/92/72/894169272.db2.gz MHUSVYJKQIORAH-UHFFFAOYSA-N 1 2 293.327 -1.067 20 0 CAADLO CN(C(=O)CCc1c[nH+]c[nH]1)C1CC(NC(=O)C(N)=O)C1 ZINC001511954404 894169284 /nfs/dbraw/zinc/16/92/84/894169284.db2.gz MHUSVYJKQIORAH-UHFFFAOYSA-N 1 2 293.327 -1.067 20 0 CAADLO CCN(C(=O)Cn1cc[nH+]c1)[C@H](C)CNC(=O)C(N)=O ZINC001512475538 894171816 /nfs/dbraw/zinc/17/18/16/894171816.db2.gz SQZMKXUIGBIGHY-SECBINFHSA-N 1 2 281.316 -1.278 20 0 CAADLO COCC(=O)N[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1O ZINC001512864518 894172043 /nfs/dbraw/zinc/17/20/43/894172043.db2.gz UPLNDUIFPXUSFD-GHMZBOCLSA-N 1 2 296.327 -1.703 20 0 CAADLO NC(=O)C(=O)NC[C@H]1C[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001514929309 894185425 /nfs/dbraw/zinc/18/54/25/894185425.db2.gz OUDIAHQGQUJYMA-OCAPTIKFSA-N 1 2 279.300 -1.552 20 0 CAADLO NC(=O)CC(=O)N[C@H]1C[C@@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001514916587 894186508 /nfs/dbraw/zinc/18/65/08/894186508.db2.gz IFMQYVGXMKEZGJ-DTORHVGOSA-N 1 2 293.327 -1.161 20 0 CAADLO Cn1c[nH+]cc1COC(=O)CN1CCNC(=O)C1 ZINC001517019790 894189192 /nfs/dbraw/zinc/18/91/92/894189192.db2.gz GKUAGQJNRFLVGS-UHFFFAOYSA-N 1 2 252.274 -1.105 20 0 CAADLO CC1(C)C[N@H+](CCNC(=O)Cn2ncnn2)CCO1 ZINC001519294329 894191149 /nfs/dbraw/zinc/19/11/49/894191149.db2.gz YYSAAVANYQSRSD-UHFFFAOYSA-N 1 2 268.321 -1.100 20 0 CAADLO CC1(C)C[N@@H+](CCNC(=O)Cn2ncnn2)CCO1 ZINC001519294329 894191159 /nfs/dbraw/zinc/19/11/59/894191159.db2.gz YYSAAVANYQSRSD-UHFFFAOYSA-N 1 2 268.321 -1.100 20 0 CAADLO C[C@H]1COCC[N@@H+]1CCNC(=O)Cn1ncnn1 ZINC001520960812 894197891 /nfs/dbraw/zinc/19/78/91/894197891.db2.gz BIGYLIMIUZCVCL-VIFPVBQESA-N 1 2 254.294 -1.490 20 0 CAADLO C[C@H]1COCC[N@H+]1CCNC(=O)Cn1ncnn1 ZINC001520960812 894197896 /nfs/dbraw/zinc/19/78/96/894197896.db2.gz BIGYLIMIUZCVCL-VIFPVBQESA-N 1 2 254.294 -1.490 20 0 CAADLO C[C@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NCc1nn[nH]n1 ZINC001520982011 894198609 /nfs/dbraw/zinc/19/86/09/894198609.db2.gz ONMCHIBEVVSZLK-JGVFFNPUSA-N 1 2 251.294 -1.796 20 0 CAADLO C[C@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NCc1nn[nH]n1 ZINC001520982011 894198613 /nfs/dbraw/zinc/19/86/13/894198613.db2.gz ONMCHIBEVVSZLK-JGVFFNPUSA-N 1 2 251.294 -1.796 20 0 CAADLO C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)NN1CCCNC1=O ZINC001521308074 894200063 /nfs/dbraw/zinc/20/00/63/894200063.db2.gz HQPHIKGMOQKRRB-ZJUUUORDSA-N 1 2 267.333 -1.179 20 0 CAADLO C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)NN1CCCNC1=O ZINC001521308074 894200075 /nfs/dbraw/zinc/20/00/75/894200075.db2.gz HQPHIKGMOQKRRB-ZJUUUORDSA-N 1 2 267.333 -1.179 20 0 CAADLO C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NN1CCCNC1=O ZINC001521308071 894202280 /nfs/dbraw/zinc/20/22/80/894202280.db2.gz HQPHIKGMOQKRRB-NXEZZACHSA-N 1 2 267.333 -1.179 20 0 CAADLO C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NN1CCCNC1=O ZINC001521308071 894202294 /nfs/dbraw/zinc/20/22/94/894202294.db2.gz HQPHIKGMOQKRRB-NXEZZACHSA-N 1 2 267.333 -1.179 20 0 CAADLO Cn1cc[nH+]c1CCNC(=O)CN1CCNC(=O)C1 ZINC001522033135 894213284 /nfs/dbraw/zinc/21/32/84/894213284.db2.gz DQHDEXDNYIMLRJ-UHFFFAOYSA-N 1 2 265.317 -1.489 20 0 CAADLO O=C(CCn1cc[nH+]c1)NCCNC(=O)[C@@H]1COCCO1 ZINC001522523253 894226005 /nfs/dbraw/zinc/22/60/05/894226005.db2.gz DDVVGTCHTQFGGK-NSHDSACASA-N 1 2 296.327 -1.079 20 0 CAADLO O=C(CCn1cncn1)NCCNC(=O)Cc1[nH]cc[nH+]1 ZINC001522520454 894226500 /nfs/dbraw/zinc/22/65/00/894226500.db2.gz TWBNRACCHFZBRS-UHFFFAOYSA-N 1 2 291.315 -1.134 20 0 CAADLO O=C(Cc1[nH]cc[nH+]1)NCCNC(=O)CN1CCCC1=O ZINC001522505679 894226659 /nfs/dbraw/zinc/22/66/59/894226659.db2.gz KUNRCHYTEBMPAZ-UHFFFAOYSA-N 1 2 293.327 -1.193 20 0 CAADLO CC(=O)N[C@H](C)C(=O)NCCNC(=O)Cc1c[nH+]cn1C ZINC001522502732 894226743 /nfs/dbraw/zinc/22/67/43/894226743.db2.gz LSCJKYNTUPUAES-SECBINFHSA-N 1 2 295.343 -1.280 20 0 CAADLO Nc1nccnc1C(=O)NCCNC(=O)Cc1[nH]cc[nH+]1 ZINC001522561215 894233397 /nfs/dbraw/zinc/23/33/97/894233397.db2.gz MZDVCVGAKVGMNU-UHFFFAOYSA-N 1 2 289.299 -1.129 20 0 CAADLO Cn1c[nH+]cc1CC(=O)NCCNC(=O)[C@H]1CNC(=O)N1 ZINC001522765798 894246708 /nfs/dbraw/zinc/24/67/08/894246708.db2.gz DFCWDUREEBPRSM-SECBINFHSA-N 1 2 294.315 -2.124 20 0 CAADLO O=C(CCc1c[nH]c[nH+]1)NCCNC(=O)[C@H]1CNC(=O)N1 ZINC001522707551 894246764 /nfs/dbraw/zinc/24/67/64/894246764.db2.gz KMMUTARJXRRMSG-SECBINFHSA-N 1 2 294.315 -1.744 20 0 CAADLO O=C(CCc1c[nH+]c[nH]1)NCCNC(=O)[C@H]1CNC(=O)N1 ZINC001522707551 894246781 /nfs/dbraw/zinc/24/67/81/894246781.db2.gz KMMUTARJXRRMSG-SECBINFHSA-N 1 2 294.315 -1.744 20 0 CAADLO O=C(Cn1cc[nH+]c1)NCCNC(=O)[C@@H]1CCCNC1=O ZINC001522701936 894247977 /nfs/dbraw/zinc/24/79/77/894247977.db2.gz IIZBAXIDDSWDBI-SNVBAGLBSA-N 1 2 293.327 -1.358 20 0 CAADLO Cc1c[nH+]cn1CC(=O)NCCNC(=O)Cc1nnc[nH]1 ZINC001522758725 894248263 /nfs/dbraw/zinc/24/82/63/894248263.db2.gz GEPDLDKNQNDIBK-UHFFFAOYSA-N 1 2 291.315 -1.215 20 0 CAADLO Cn1c[nH+]cc1CC(=O)NCCNC(=O)[C@@H]1CNC(=O)N1 ZINC001522765799 894248850 /nfs/dbraw/zinc/24/88/50/894248850.db2.gz DFCWDUREEBPRSM-VIFPVBQESA-N 1 2 294.315 -2.124 20 0 CAADLO NC(=O)C(=O)N1CCC(CNC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001523293351 894263985 /nfs/dbraw/zinc/26/39/85/894263985.db2.gz GOSHCEFUNDPRFX-UHFFFAOYSA-N 1 2 293.327 -1.208 20 0 CAADLO NC(=O)C(=O)N1CCC(NC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001523251942 894265010 /nfs/dbraw/zinc/26/50/10/894265010.db2.gz ZZQDIESIIPJZOL-UHFFFAOYSA-N 1 2 293.327 -1.065 20 0 CAADLO NC(=O)C(=O)N1CCC(NC(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001523251942 894265028 /nfs/dbraw/zinc/26/50/28/894265028.db2.gz ZZQDIESIIPJZOL-UHFFFAOYSA-N 1 2 293.327 -1.065 20 0 CAADLO NC(=O)CC(=O)NC1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001523221943 894265994 /nfs/dbraw/zinc/26/59/94/894265994.db2.gz ZLBOOEIVTOGBDA-UHFFFAOYSA-N 1 2 293.327 -1.134 20 0 CAADLO O=C(CN1CC[NH2+]CC1=O)NCC[C@@H](O)C1CC1 ZINC001523543130 894269535 /nfs/dbraw/zinc/26/95/35/894269535.db2.gz CGKMSWHFKMTTLG-SNVBAGLBSA-N 1 2 255.318 -1.305 20 0 CAADLO CCN(CCCNC(=O)Cc1c[nH]c[nH+]1)C(=O)C(N)=O ZINC001523958359 894271796 /nfs/dbraw/zinc/27/17/96/894271796.db2.gz YNZNFJHDXYIDLM-UHFFFAOYSA-N 1 2 281.316 -1.208 20 0 CAADLO NC(=O)CC(=O)N[C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001524140610 894275257 /nfs/dbraw/zinc/27/52/57/894275257.db2.gz AXUXBPCIPIUCIN-SNVBAGLBSA-N 1 2 293.327 -1.065 20 0 CAADLO NC(=O)CC(=O)N[C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001524140610 894275274 /nfs/dbraw/zinc/27/52/74/894275274.db2.gz AXUXBPCIPIUCIN-SNVBAGLBSA-N 1 2 293.327 -1.065 20 0 CAADLO NC(=O)CC(=O)N[C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001524140608 894275870 /nfs/dbraw/zinc/27/58/70/894275870.db2.gz AXUXBPCIPIUCIN-JTQLQIEISA-N 1 2 293.327 -1.065 20 0 CAADLO NC(=O)CC(=O)N[C@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001524140608 894275891 /nfs/dbraw/zinc/27/58/91/894275891.db2.gz AXUXBPCIPIUCIN-JTQLQIEISA-N 1 2 293.327 -1.065 20 0 CAADLO NC(=O)C(NC(=O)CCCn1cc[nH+]c1)C(N)=O ZINC001525630678 894291846 /nfs/dbraw/zinc/29/18/46/894291846.db2.gz IMXOXOLQKGJUQH-UHFFFAOYSA-N 1 2 253.262 -1.881 20 0 CAADLO C[C@@H](CNC(=O)[C@@H]1COCCO1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001526405688 894296910 /nfs/dbraw/zinc/29/69/10/894296910.db2.gz BULVPCXBENDENI-ONGXEEELSA-N 1 2 296.327 -1.012 20 0 CAADLO C[C@@H](CNC(=O)CC(N)=O)NC(=O)CCc1[nH+]ccn1C ZINC001526459831 894299874 /nfs/dbraw/zinc/29/98/74/894299874.db2.gz APEGXEFLGPGOGW-VIFPVBQESA-N 1 2 295.343 -1.151 20 0 CAADLO C[C@@H](CNC(=O)[C@@H]1CCNC1=O)NC(=O)Cn1cc[nH+]c1 ZINC001526854782 894301676 /nfs/dbraw/zinc/30/16/76/894301676.db2.gz VWEFPJMEDSRBFY-VHSXEESVSA-N 1 2 293.327 -1.360 20 0 CAADLO C[C@H](CNC(=O)[C@H]1CCn2c[nH+]cc2C1)NC(=O)C(N)=O ZINC001526710107 894301789 /nfs/dbraw/zinc/30/17/89/894301789.db2.gz QRQZKXBSRJLXDC-BDAKNGLRSA-N 1 2 293.327 -1.448 20 0 CAADLO CNC(=O)NCC(=O)NC[C@@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001526665556 894301911 /nfs/dbraw/zinc/30/19/11/894301911.db2.gz QCNIKONFEAARBJ-MRVPVSSYSA-N 1 2 296.331 -1.498 20 0 CAADLO C[C@@H](CNC(=O)[C@H]1CCNC1=O)NC(=O)Cn1cc[nH+]c1 ZINC001526854781 894301975 /nfs/dbraw/zinc/30/19/75/894301975.db2.gz VWEFPJMEDSRBFY-UWVGGRQHSA-N 1 2 293.327 -1.360 20 0 CAADLO C[C@H](CNC(=O)[C@H]1CNC(=O)N1)NC(=O)Cn1cc[nH+]c1 ZINC001526933621 894305099 /nfs/dbraw/zinc/30/50/99/894305099.db2.gz NKOFWHPZOGUNKU-RKDXNWHRSA-N 1 2 294.315 -1.815 20 0 CAADLO C[C@H](CCNC(=O)C(N)=O)NC(=O)Cc1c[nH+]cn1C ZINC001527745824 894313013 /nfs/dbraw/zinc/31/30/13/894313013.db2.gz HAYJQACFHNDEJT-MRVPVSSYSA-N 1 2 281.316 -1.541 20 0 CAADLO CN(CCNC(=O)CC(N)=O)C(=O)CCc1c[nH]c[nH+]1 ZINC001528001612 894319227 /nfs/dbraw/zinc/31/92/27/894319227.db2.gz CYJFPCZSLKFTQY-UHFFFAOYSA-N 1 2 281.316 -1.208 20 0 CAADLO CN(CCNC(=O)CC(N)=O)C(=O)CCc1c[nH+]c[nH]1 ZINC001528001612 894319245 /nfs/dbraw/zinc/31/92/45/894319245.db2.gz CYJFPCZSLKFTQY-UHFFFAOYSA-N 1 2 281.316 -1.208 20 0 CAADLO COC(=O)NCC(=O)NCCN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001527950971 894319318 /nfs/dbraw/zinc/31/93/18/894319318.db2.gz RVCRZASVOYCSTP-UHFFFAOYSA-N 1 2 297.315 -1.117 20 0 CAADLO C[C@H](NC(N)=O)C(=O)NCCN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001528067720 894325661 /nfs/dbraw/zinc/32/56/61/894325661.db2.gz QYEJSQPXQOHVHA-QMMMGPOBSA-N 1 2 296.331 -1.416 20 0 CAADLO CN(CCNC(=O)[C@H]1CCc2c[nH+]cn2C1)C(=O)C(N)=O ZINC001528326515 894329244 /nfs/dbraw/zinc/32/92/44/894329244.db2.gz MUJUDZMPFCUZLR-VIFPVBQESA-N 1 2 293.327 -1.495 20 0 CAADLO CN(CCNC(=O)Cn1cc[nH+]c1)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001528350841 894329623 /nfs/dbraw/zinc/32/96/23/894329623.db2.gz UOBCZJFOFSLHKM-ZJUUUORDSA-N 1 2 293.327 -1.421 20 0 CAADLO CN(CCNC(=O)[C@H]1CNC(=O)N1)C(=O)Cc1[nH]cc[nH+]1 ZINC001528585288 894330580 /nfs/dbraw/zinc/33/05/80/894330580.db2.gz RXSKTCRGGWTKMH-MRVPVSSYSA-N 1 2 294.315 -1.792 20 0 CAADLO CN(CCNC(=O)Cc1[nH]cc[nH+]1)C(=O)CCNC(N)=O ZINC001528567166 894333125 /nfs/dbraw/zinc/33/31/25/894333125.db2.gz QHPNVPUQEKYBLC-UHFFFAOYSA-N 1 2 296.331 -1.415 20 0 CAADLO CN(CCNC(=O)[C@@H]1CNC(=O)N1)C(=O)Cc1[nH]cc[nH+]1 ZINC001528585325 894333412 /nfs/dbraw/zinc/33/34/12/894333412.db2.gz RXSKTCRGGWTKMH-QMMMGPOBSA-N 1 2 294.315 -1.792 20 0 CAADLO CN(CCNC(=O)C(N)=O)C(=O)CCn1cc[nH+]c1 ZINC001528593234 894337147 /nfs/dbraw/zinc/33/71/47/894337147.db2.gz BYFHGWPJTNTZKS-UHFFFAOYSA-N 1 2 267.289 -1.667 20 0 CAADLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)Cn1ncnn1 ZINC001529018260 894342506 /nfs/dbraw/zinc/34/25/06/894342506.db2.gz NNFIPXLYIZIUNN-JTQLQIEISA-N 1 2 268.321 -1.100 20 0 CAADLO CCN(CCNC(=O)Cc1c[nH]c[nH+]1)C(=O)C(N)=O ZINC001529142826 894343415 /nfs/dbraw/zinc/34/34/15/894343415.db2.gz YZLYNAFVVZVVSE-UHFFFAOYSA-N 1 2 267.289 -1.598 20 0 CAADLO CC(=O)N(C)CC[NH+]1CCN(C(=O)C2(C(N)=O)CC2)CC1 ZINC001530095959 894349424 /nfs/dbraw/zinc/34/94/24/894349424.db2.gz MTKBOZZTVLURDH-UHFFFAOYSA-N 1 2 296.371 -1.126 20 0 CAADLO CC(=O)NCC(=O)NC1CN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001530337876 894352307 /nfs/dbraw/zinc/35/23/07/894352307.db2.gz YNYVAOAGKHXWQS-UHFFFAOYSA-N 1 2 293.327 -1.195 20 0 CAADLO CC(=O)NCC(=O)NC1CN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001530337876 894352324 /nfs/dbraw/zinc/35/23/24/894352324.db2.gz YNYVAOAGKHXWQS-UHFFFAOYSA-N 1 2 293.327 -1.195 20 0 CAADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC1CN(C(=O)CC(N)=O)C1 ZINC001530466588 894360052 /nfs/dbraw/zinc/36/00/52/894360052.db2.gz PZPQJUABQNEWIC-QMMMGPOBSA-N 1 2 293.327 -1.209 20 0 CAADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC1CN(C(=O)CC(N)=O)C1 ZINC001530466588 894360069 /nfs/dbraw/zinc/36/00/69/894360069.db2.gz PZPQJUABQNEWIC-QMMMGPOBSA-N 1 2 293.327 -1.209 20 0 CAADLO CNC(=O)NCC(=O)NC1CN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001530486559 894360629 /nfs/dbraw/zinc/36/06/29/894360629.db2.gz VDYACIJTBNUDFZ-UHFFFAOYSA-N 1 2 294.315 -1.792 20 0 CAADLO CCNC(=O)CC(=O)N1CC(NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001530601088 894361693 /nfs/dbraw/zinc/36/16/93/894361693.db2.gz BOGGYKFACLAZEH-UHFFFAOYSA-N 1 2 293.327 -1.195 20 0 CAADLO NC(=O)CCCC(=O)N1CC(NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001530671394 894365467 /nfs/dbraw/zinc/36/54/67/894365467.db2.gz RNNFDAJYXFJDDQ-UHFFFAOYSA-N 1 2 293.327 -1.065 20 0 CAADLO C[C@@H](CC(=O)N1CC(CNC(=O)C(N)=O)C1)n1cc[nH+]c1 ZINC001530882452 894374898 /nfs/dbraw/zinc/37/48/98/894374898.db2.gz RZCCOUZWQLTLLL-VIFPVBQESA-N 1 2 293.327 -1.106 20 0 CAADLO C[C@](CNC(=O)C(N)=O)(NC(=O)Cc1c[nH]c[nH+]1)C1CC1 ZINC001531777821 894379940 /nfs/dbraw/zinc/37/99/40/894379940.db2.gz FECSPOYTJCWTKJ-CYBMUJFWSA-N 1 2 293.327 -1.161 20 0 CAADLO Cn1c[nH+]cc1CC(=O)N1CCC[C@@H]1CNC(=O)C(N)=O ZINC001532004359 894383987 /nfs/dbraw/zinc/38/39/87/894383987.db2.gz ZIKLSTYMIGDQNT-SECBINFHSA-N 1 2 293.327 -1.445 20 0 CAADLO C[C@@H](CNC(=O)CC(N)=O)CNC(=O)Cc1c[nH+]cn1C ZINC001532158489 894384621 /nfs/dbraw/zinc/38/46/21/894384621.db2.gz DWFKNDDAYUKYSU-SECBINFHSA-N 1 2 295.343 -1.294 20 0 CAADLO CC(=O)NC[C@@H](O)CNC(=O)CCc1c[nH+]cn1C ZINC001533137789 894391073 /nfs/dbraw/zinc/39/10/73/894391073.db2.gz HFBHLQUHXRQNNF-LLVKDONJSA-N 1 2 268.317 -1.034 20 0 CAADLO CCC(=O)NC[C@@H](O)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001533136952 894393351 /nfs/dbraw/zinc/39/33/51/894393351.db2.gz ABOYEBLPUKZVKA-SECBINFHSA-N 1 2 254.290 -1.045 20 0 CAADLO COCCC(=O)NC[C@@H](O)CNC(=O)Cn1cc[nH+]c1 ZINC001533140157 894395329 /nfs/dbraw/zinc/39/53/29/894395329.db2.gz JCAIVESDBMXCNX-SNVBAGLBSA-N 1 2 284.316 -1.487 20 0 CAADLO NC(=O)C(=O)NC/C=C\CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001533551863 894416605 /nfs/dbraw/zinc/41/66/05/894416605.db2.gz WPHDNLYPZWRMOF-WDESOFOKSA-N 1 2 291.311 -1.213 20 0 CAADLO NC(=O)C(=O)NC/C=C\CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001533551863 894416610 /nfs/dbraw/zinc/41/66/10/894416610.db2.gz WPHDNLYPZWRMOF-WDESOFOKSA-N 1 2 291.311 -1.213 20 0 CAADLO C[C@@H](CNC(=O)C(N)=O)NC(=O)CCc1c[nH+]cn1C ZINC001534343340 894425212 /nfs/dbraw/zinc/42/52/12/894425212.db2.gz PXJMYFKXHRRUSD-QMMMGPOBSA-N 1 2 281.316 -1.541 20 0 CAADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@H](C)NC(=O)C(N)=O ZINC001534385942 894425860 /nfs/dbraw/zinc/42/58/60/894425860.db2.gz KEQZTEUCJUKZGT-SFYZADRCSA-N 1 2 281.316 -1.306 20 0 CAADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@H](C)NC(=O)C(N)=O ZINC001534385942 894425869 /nfs/dbraw/zinc/42/58/69/894425869.db2.gz KEQZTEUCJUKZGT-SFYZADRCSA-N 1 2 281.316 -1.306 20 0 CAADLO Cn1cc[nH+]c1CCC(=O)NC[C@H]1CCN1C(=O)C(N)=O ZINC001534959935 894432538 /nfs/dbraw/zinc/43/25/38/894432538.db2.gz JEKQNQZZOAINID-SECBINFHSA-N 1 2 293.327 -1.445 20 0 CAADLO Cn1c[nH+]cc1CC(=O)NC1(CNC(=O)C(N)=O)CC1 ZINC001535880299 894438897 /nfs/dbraw/zinc/43/88/97/894438897.db2.gz GPQZPZDELGTZNQ-UHFFFAOYSA-N 1 2 279.300 -1.787 20 0 CAADLO CC(=O)NCC(=O)N(C)C1CN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001536262093 894440357 /nfs/dbraw/zinc/44/03/57/894440357.db2.gz VKNOSYUWKFRDHS-UHFFFAOYSA-N 1 2 293.327 -1.243 20 0 CAADLO CN(C(=O)CCc1[nH+]ccn1C)C1CN(C(=O)C(N)=O)C1 ZINC001536470848 894441344 /nfs/dbraw/zinc/44/13/44/894441344.db2.gz KFCUXLARSOVHLO-UHFFFAOYSA-N 1 2 293.327 -1.493 20 0 CAADLO C[C@]1(CNC(=O)C(N)=O)CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001537035266 894443327 /nfs/dbraw/zinc/44/33/27/894443327.db2.gz LPIGWMVXHAIRHB-CYBMUJFWSA-N 1 2 293.327 -1.277 20 0 CAADLO C[C@@]1(NC(=O)Cn2cc[nH+]c2)CCN(C(=O)CC(N)=O)C1 ZINC001536854100 894444013 /nfs/dbraw/zinc/44/40/13/894444013.db2.gz SXZFCQWCXKEZKC-CYBMUJFWSA-N 1 2 293.327 -1.134 20 0 CAADLO C[C@@]1(CNC(=O)C(N)=O)CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001537035267 894445016 /nfs/dbraw/zinc/44/50/16/894445016.db2.gz LPIGWMVXHAIRHB-ZDUSSCGKSA-N 1 2 293.327 -1.277 20 0 CAADLO Cn1cc[nH+]c1CCC(=O)NC(C(N)=O)C(N)=O ZINC001539920887 894453294 /nfs/dbraw/zinc/45/32/94/894453294.db2.gz IZRMLMOKRZSGJW-UHFFFAOYSA-N 1 2 253.262 -2.192 20 0 CAADLO CN1CCO[C@@H](C(=O)N[C@H]2CCC[N@H+](CC(N)=O)C2)C1=O ZINC001542978651 894466510 /nfs/dbraw/zinc/46/65/10/894466510.db2.gz USQPMUHWNBPVFA-ONGXEEELSA-N 1 2 298.343 -2.091 20 0 CAADLO CN1CCO[C@@H](C(=O)N[C@H]2CCC[N@@H+](CC(N)=O)C2)C1=O ZINC001542978651 894466521 /nfs/dbraw/zinc/46/65/21/894466521.db2.gz USQPMUHWNBPVFA-ONGXEEELSA-N 1 2 298.343 -2.091 20 0 CAADLO CN1CCO[C@@H](C(=O)N[C@@H]2CCC[N@H+](CC(N)=O)C2)C1=O ZINC001542978649 894467324 /nfs/dbraw/zinc/46/73/24/894467324.db2.gz USQPMUHWNBPVFA-KOLCDFICSA-N 1 2 298.343 -2.091 20 0 CAADLO CN1CCO[C@@H](C(=O)N[C@@H]2CCC[N@@H+](CC(N)=O)C2)C1=O ZINC001542978649 894467333 /nfs/dbraw/zinc/46/73/33/894467333.db2.gz USQPMUHWNBPVFA-KOLCDFICSA-N 1 2 298.343 -2.091 20 0 CAADLO CN1CC[N@H+](C)C[C@@H]1CNC(=O)CCc1nn[nH]n1 ZINC001543384381 894467613 /nfs/dbraw/zinc/46/76/13/894467613.db2.gz WSQKWXFWPMYCRF-VIFPVBQESA-N 1 2 267.337 -1.506 20 0 CAADLO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)CCc1nn[nH]n1 ZINC001543384381 894467621 /nfs/dbraw/zinc/46/76/21/894467621.db2.gz WSQKWXFWPMYCRF-VIFPVBQESA-N 1 2 267.337 -1.506 20 0 CAADLO O=C(Cn1ncn2nccc2c1=O)NCCc1[nH]cc[nH+]1 ZINC001543787847 894471150 /nfs/dbraw/zinc/47/11/50/894471150.db2.gz BONZSYOZMVSEPQ-UHFFFAOYSA-N 1 2 287.283 -1.027 20 0 CAADLO NC(=O)NC(=O)CCNC(=O)/C=C/C[NH+]1CCOCC1 ZINC001545218678 894475261 /nfs/dbraw/zinc/47/52/61/894475261.db2.gz CNNHWPUWPATISY-OWOJBTEDSA-N 1 2 284.316 -1.424 20 0 CAADLO Cc1[nH+]c[nH]c1CNC(=O)c1cn(CC(N)=O)nn1 ZINC001545170064 894476451 /nfs/dbraw/zinc/47/64/51/894476451.db2.gz LHMBOZNOGWXTCJ-UHFFFAOYSA-N 1 2 263.261 -1.275 20 0 CAADLO C[N@@H+]1C[C@@H](O)C[C@]1(C)C(=O)NCc1n[nH]c(=O)[nH]1 ZINC001545329236 894478783 /nfs/dbraw/zinc/47/87/83/894478783.db2.gz ATBURFHDXGSAQZ-QUBYGPBYSA-N 1 2 255.278 -1.418 20 0 CAADLO C[N@H+]1C[C@@H](O)C[C@]1(C)C(=O)NCc1n[nH]c(=O)[nH]1 ZINC001545329236 894478790 /nfs/dbraw/zinc/47/87/90/894478790.db2.gz ATBURFHDXGSAQZ-QUBYGPBYSA-N 1 2 255.278 -1.418 20 0 CAADLO O=C(NCc1n[nH]c(=O)[nH]1)C1C[NH+]([C@@H]2CCOC2)C1 ZINC001545329341 894478987 /nfs/dbraw/zinc/47/89/87/894478987.db2.gz GBJQGNIRCPSCHM-MRVPVSSYSA-N 1 2 267.289 -1.153 20 0 CAADLO C[N@@H+]1CCO[C@H](C(=O)N2CCOC[C@H]2CC(N)=O)C1 ZINC001548489019 894485668 /nfs/dbraw/zinc/48/56/68/894485668.db2.gz BFDPBKHLSCXBLS-ZJUUUORDSA-N 1 2 271.317 -1.580 20 0 CAADLO C[N@H+]1CCO[C@H](C(=O)N2CCOC[C@H]2CC(N)=O)C1 ZINC001548489019 894485678 /nfs/dbraw/zinc/48/56/78/894485678.db2.gz BFDPBKHLSCXBLS-ZJUUUORDSA-N 1 2 271.317 -1.580 20 0 CAADLO C[N@@H+]1CCO[C@H](C(=O)N2CCOC[C@@H]2CC(N)=O)C1 ZINC001548489016 894486247 /nfs/dbraw/zinc/48/62/47/894486247.db2.gz BFDPBKHLSCXBLS-UWVGGRQHSA-N 1 2 271.317 -1.580 20 0 CAADLO C[N@H+]1CCO[C@H](C(=O)N2CCOC[C@@H]2CC(N)=O)C1 ZINC001548489016 894486255 /nfs/dbraw/zinc/48/62/55/894486255.db2.gz BFDPBKHLSCXBLS-UWVGGRQHSA-N 1 2 271.317 -1.580 20 0 CAADLO C[N@@H+]1CCO[C@@H](C(=O)N2CCOC[C@H]2CC(N)=O)C1 ZINC001548489004 894487021 /nfs/dbraw/zinc/48/70/21/894487021.db2.gz BFDPBKHLSCXBLS-NXEZZACHSA-N 1 2 271.317 -1.580 20 0 CAADLO C[N@H+]1CCO[C@@H](C(=O)N2CCOC[C@H]2CC(N)=O)C1 ZINC001548489004 894487027 /nfs/dbraw/zinc/48/70/27/894487027.db2.gz BFDPBKHLSCXBLS-NXEZZACHSA-N 1 2 271.317 -1.580 20 0 CAADLO C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N1CCS(=O)CC1 ZINC001548642175 894490322 /nfs/dbraw/zinc/49/03/22/894490322.db2.gz VJSPMXQASXJGTA-MNOVXSKESA-N 1 2 271.386 -1.034 20 0 CAADLO C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)N1CCS(=O)CC1 ZINC001548642175 894490329 /nfs/dbraw/zinc/49/03/29/894490329.db2.gz VJSPMXQASXJGTA-MNOVXSKESA-N 1 2 271.386 -1.034 20 0 CAADLO C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N1CC[C@@H](c2nn[nH]n2)C1 ZINC001548762385 894502978 /nfs/dbraw/zinc/50/29/78/894502978.db2.gz OZPCJZDOAULEQC-GMTAPVOTSA-N 1 2 291.359 -1.096 20 0 CAADLO C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N1CC[C@@H](c2nn[nH]n2)C1 ZINC001548762385 894502986 /nfs/dbraw/zinc/50/29/86/894502986.db2.gz OZPCJZDOAULEQC-GMTAPVOTSA-N 1 2 291.359 -1.096 20 0 CAADLO CNC(=O)C[N@@H+]1C[C@H](O)[C@@H](Oc2cnn(C)c2)C1 ZINC001549595896 894517106 /nfs/dbraw/zinc/51/71/06/894517106.db2.gz HEWSIHHERVLUGA-UWVGGRQHSA-N 1 2 254.290 -1.410 20 0 CAADLO CNC(=O)C[N@H+]1C[C@H](O)[C@@H](Oc2cnn(C)c2)C1 ZINC001549595896 894517111 /nfs/dbraw/zinc/51/71/11/894517111.db2.gz HEWSIHHERVLUGA-UWVGGRQHSA-N 1 2 254.290 -1.410 20 0 CAADLO Cn1cc(O[C@@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@@H]2O)cn1 ZINC001549595096 894517204 /nfs/dbraw/zinc/51/72/04/894517204.db2.gz FYWIDLZCHGKQCR-OUAUKWLOSA-N 1 2 266.301 -1.268 20 0 CAADLO Cn1cc(O[C@@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@@H]2O)cn1 ZINC001549595096 894517218 /nfs/dbraw/zinc/51/72/18/894517218.db2.gz FYWIDLZCHGKQCR-OUAUKWLOSA-N 1 2 266.301 -1.268 20 0 CAADLO Cn1cc(O[C@H]2C[N@H+](CC(=O)NC(N)=O)C[C@@H]2O)cn1 ZINC001549596354 894517720 /nfs/dbraw/zinc/51/77/20/894517720.db2.gz ISZCZSMSYSBPAL-IUCAKERBSA-N 1 2 283.288 -1.961 20 0 CAADLO Cn1cc(O[C@H]2C[N@@H+](CC(=O)NC(N)=O)C[C@@H]2O)cn1 ZINC001549596354 894517731 /nfs/dbraw/zinc/51/77/31/894517731.db2.gz ISZCZSMSYSBPAL-IUCAKERBSA-N 1 2 283.288 -1.961 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@@H](Oc2cnn(C)c2)C1 ZINC001549594630 894517756 /nfs/dbraw/zinc/51/77/56/894517756.db2.gz AVSJOURUCAEADI-QNSHHTMESA-N 1 2 254.290 -1.282 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1C[C@@H](O)[C@@H](Oc2cnn(C)c2)C1 ZINC001549594630 894517769 /nfs/dbraw/zinc/51/77/69/894517769.db2.gz AVSJOURUCAEADI-QNSHHTMESA-N 1 2 254.290 -1.282 20 0 CAADLO C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@H](O)[C@@H](Oc2cnn(C)c2)C1 ZINC001549598244 894519293 /nfs/dbraw/zinc/51/92/93/894519293.db2.gz TXJFOCWAXPSUHE-JEZHCXPESA-N 1 2 297.315 -1.573 20 0 CAADLO C[C@H](C(=O)NC(N)=O)[N@H+]1C[C@H](O)[C@@H](Oc2cnn(C)c2)C1 ZINC001549598244 894519307 /nfs/dbraw/zinc/51/93/07/894519307.db2.gz TXJFOCWAXPSUHE-JEZHCXPESA-N 1 2 297.315 -1.573 20 0 CAADLO CN(C)C(=O)C[N@H+]1C[C@@H](Oc2cnn(C)c2)[C@@H](O)C1 ZINC001549596431 894519444 /nfs/dbraw/zinc/51/94/44/894519444.db2.gz JOFNSIHLNKNNCQ-WDEREUQCSA-N 1 2 268.317 -1.068 20 0 CAADLO CN(C)C(=O)C[N@@H+]1C[C@@H](Oc2cnn(C)c2)[C@@H](O)C1 ZINC001549596431 894519451 /nfs/dbraw/zinc/51/94/51/894519451.db2.gz JOFNSIHLNKNNCQ-WDEREUQCSA-N 1 2 268.317 -1.068 20 0 CAADLO CCNC(=O)C[N@@H+]1C[C@H](O)[C@@H](Oc2cnn(C)c2)C1 ZINC001549597442 894519992 /nfs/dbraw/zinc/51/99/92/894519992.db2.gz OAFOYKDSDKZIDO-QWRGUYRKSA-N 1 2 268.317 -1.020 20 0 CAADLO CCNC(=O)C[N@H+]1C[C@H](O)[C@@H](Oc2cnn(C)c2)C1 ZINC001549597442 894520002 /nfs/dbraw/zinc/52/00/02/894520002.db2.gz OAFOYKDSDKZIDO-QWRGUYRKSA-N 1 2 268.317 -1.020 20 0 CAADLO CCn1cc(O[C@@H]2C[N@H+](CC(=O)NC(N)=O)C[C@@H]2O)cn1 ZINC001549598034 894520046 /nfs/dbraw/zinc/52/00/46/894520046.db2.gz RHIPQKIJYOAEIU-VHSXEESVSA-N 1 2 297.315 -1.478 20 0 CAADLO CCn1cc(O[C@@H]2C[N@@H+](CC(=O)NC(N)=O)C[C@@H]2O)cn1 ZINC001549598034 894520057 /nfs/dbraw/zinc/52/00/57/894520057.db2.gz RHIPQKIJYOAEIU-VHSXEESVSA-N 1 2 297.315 -1.478 20 0 CAADLO C[NH+](C)[C@H]1CN(C(=O)Cc2ncn[nH]2)C[C@H]1n1ccnn1 ZINC001549845118 894523385 /nfs/dbraw/zinc/52/33/85/894523385.db2.gz BRLBMXVFPQSUHC-VHSXEESVSA-N 1 2 290.331 -1.048 20 0 CAADLO O=C(Cc1ncn[nH]1)N1CC[C@@H]2OCC[NH2+][C@H]2C1 ZINC001550061303 894524875 /nfs/dbraw/zinc/52/48/75/894524875.db2.gz YTJNSQCKUSCEMH-IUCAKERBSA-N 1 2 251.290 -1.064 20 0 CAADLO O=C([C@H]1CNC(=O)C1)N1CCO[C@H](C[NH+]2CCOCC2)C1 ZINC001549865478 894525647 /nfs/dbraw/zinc/52/56/47/894525647.db2.gz OTTCSBNEDKSREI-VXGBXAGGSA-N 1 2 297.355 -1.318 20 0 CAADLO CN1C(=O)NC[C@H]1C(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC001549930047 894525928 /nfs/dbraw/zinc/52/59/28/894525928.db2.gz BBPJTHCWBGGFRR-AXFHLTTASA-N 1 2 282.344 -1.011 20 0 CAADLO CN1C(=O)NC[C@H]1C(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC001549930047 894525932 /nfs/dbraw/zinc/52/59/32/894525932.db2.gz BBPJTHCWBGGFRR-AXFHLTTASA-N 1 2 282.344 -1.011 20 0 CAADLO NC(=O)[C@H]1C[C@@H]1C(=O)NCC[N@@H+]1CCC2(C1)OCCO2 ZINC001550401112 894532163 /nfs/dbraw/zinc/53/21/63/894532163.db2.gz FILOCWYRQTWTGX-UWVGGRQHSA-N 1 2 283.328 -1.327 20 0 CAADLO NC(=O)[C@H]1C[C@@H]1C(=O)NCC[N@H+]1CCC2(C1)OCCO2 ZINC001550401112 894532177 /nfs/dbraw/zinc/53/21/77/894532177.db2.gz FILOCWYRQTWTGX-UWVGGRQHSA-N 1 2 283.328 -1.327 20 0 CAADLO CNC(=O)[C@@]12C[N@H+](Cn3ncn(C)c3=O)C[C@@H]1COCC2 ZINC001551406282 894536206 /nfs/dbraw/zinc/53/62/06/894536206.db2.gz CBLSDZMHPYKGDJ-MFKMUULPSA-N 1 2 295.343 -1.376 20 0 CAADLO CNC(=O)[C@@]12C[N@@H+](Cn3ncn(C)c3=O)C[C@@H]1COCC2 ZINC001551406282 894536216 /nfs/dbraw/zinc/53/62/16/894536216.db2.gz CBLSDZMHPYKGDJ-MFKMUULPSA-N 1 2 295.343 -1.376 20 0 CAADLO C[C@H](C(=O)NCC[N@@H+]1CCC2(C1)OCCO2)n1cnnn1 ZINC001550859893 894536326 /nfs/dbraw/zinc/53/63/26/894536326.db2.gz LDQXLOJDWRFLEQ-SNVBAGLBSA-N 1 2 296.331 -1.201 20 0 CAADLO C[C@H](C(=O)NCC[N@H+]1CCC2(C1)OCCO2)n1cnnn1 ZINC001550859893 894536333 /nfs/dbraw/zinc/53/63/33/894536333.db2.gz LDQXLOJDWRFLEQ-SNVBAGLBSA-N 1 2 296.331 -1.201 20 0 CAADLO O=C(NCc1n[nH]c(=O)[nH]1)[C@@]12C[NH2+]C[C@@H]1COC2 ZINC001552199267 894548408 /nfs/dbraw/zinc/54/84/08/894548408.db2.gz QWDMKATZGHMGEM-LHLIQPBNSA-N 1 2 253.262 -1.638 20 0 CAADLO O=C(NCc1n[nH]c(=O)[nH]1)[C@]12C[NH2+]C[C@@H]1COC2 ZINC001552199255 894549027 /nfs/dbraw/zinc/54/90/27/894549027.db2.gz QWDMKATZGHMGEM-LDWIPMOCSA-N 1 2 253.262 -1.638 20 0 CAADLO O=C(NCc1n[nH]c(=O)[nH]1)[C@@]12C[NH2+]C[C@H]1COC2 ZINC001552199269 894549172 /nfs/dbraw/zinc/54/91/72/894549172.db2.gz QWDMKATZGHMGEM-QUBYGPBYSA-N 1 2 253.262 -1.638 20 0 CAADLO O=C([C@H]1CC[C@H](C[NH+]2CCOCC2)O1)N1CCNC(=O)C1 ZINC001553054490 894558958 /nfs/dbraw/zinc/55/89/58/894558958.db2.gz FMZWVJRPTGKGHS-VXGBXAGGSA-N 1 2 297.355 -1.175 20 0 CAADLO O=C([C@H]1CC[C@@H](C[NH+]2CCOCC2)O1)N1CCNC(=O)C1 ZINC001553054486 894559099 /nfs/dbraw/zinc/55/90/99/894559099.db2.gz FMZWVJRPTGKGHS-NWDGAFQWSA-N 1 2 297.355 -1.175 20 0 CAADLO CN1CC[C@]2(C(=O)Nc3nn[nH]n3)C[NH2+]C[C@H]2C1 ZINC001553365959 894560170 /nfs/dbraw/zinc/56/01/70/894560170.db2.gz NUGDAYSGSFOPOR-XVKPBYJWSA-N 1 2 251.294 -1.321 20 0 CAADLO CNC(=O)CNC(=O)[C@@H]1CC[C@@H](C[NH+]2CCOCC2)O1 ZINC001553063825 894560466 /nfs/dbraw/zinc/56/04/66/894560466.db2.gz XVRRDPVVDYCEDF-QWRGUYRKSA-N 1 2 285.344 -1.272 20 0 CAADLO O=C(NC1=NCC(=O)N1)[C@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001553191695 894561018 /nfs/dbraw/zinc/56/10/18/894561018.db2.gz ALSFLFOERIGQKH-NXEZZACHSA-N 1 2 296.327 -1.532 20 0 CAADLO O=C(N[C@@H]1CNC(=O)C1)[C@@H]1CC[C@@H](C[NH+]2CCOCC2)O1 ZINC001553131993 894561740 /nfs/dbraw/zinc/56/17/40/894561740.db2.gz GSFDBDYYEXYRBF-SRVKXCTJSA-N 1 2 297.355 -1.129 20 0 CAADLO NC(=O)[C@@H]1CCN1C(=O)[C@@H]1CC[C@@H](C[NH+]2CCOCC2)O1 ZINC001553638053 894568495 /nfs/dbraw/zinc/56/84/95/894568495.db2.gz ISRDDEYREFNDMP-SRVKXCTJSA-N 1 2 297.355 -1.048 20 0 CAADLO O=C(Cn1cnnn1)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC001556640496 894584328 /nfs/dbraw/zinc/58/43/28/894584328.db2.gz PCDXTWMOUXFNKJ-AOOOYVTPSA-N 1 2 266.305 -1.348 20 0 CAADLO O=C(Cn1cnnn1)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC001556640496 894584337 /nfs/dbraw/zinc/58/43/37/894584337.db2.gz PCDXTWMOUXFNKJ-AOOOYVTPSA-N 1 2 266.305 -1.348 20 0 CAADLO C[C@H]1C[N@H+](CCO)CCN1C(=O)c1cnnn1C ZINC001557001330 894592414 /nfs/dbraw/zinc/59/24/14/894592414.db2.gz WQIWIZOCSRLVPO-VIFPVBQESA-N 1 2 253.306 -1.046 20 0 CAADLO C[C@H]1C[N@@H+](CCO)CCN1C(=O)c1cnnn1C ZINC001557001330 894592417 /nfs/dbraw/zinc/59/24/17/894592417.db2.gz WQIWIZOCSRLVPO-VIFPVBQESA-N 1 2 253.306 -1.046 20 0 CAADLO NC(=O)N[C@H](CO)C(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC001557151517 894595212 /nfs/dbraw/zinc/59/52/12/894595212.db2.gz QZDSJEGNNCSJKI-IONNQARKSA-N 1 2 267.289 -1.657 20 0 CAADLO Cn1cnnc1[C@H](CO)NC(=O)Cc1[nH]cc[nH+]1 ZINC001557595241 894602452 /nfs/dbraw/zinc/60/24/52/894602452.db2.gz SRHVUIYSTLBENQ-ZETCQYMHSA-N 1 2 250.262 -1.070 20 0 CAADLO Cn1cnnc1[C@@H](CO)NC(=O)Cc1[nH]cc[nH+]1 ZINC001557595239 894602886 /nfs/dbraw/zinc/60/28/86/894602886.db2.gz SRHVUIYSTLBENQ-SSDOTTSWSA-N 1 2 250.262 -1.070 20 0 CAADLO Cn1c[nH+]cc1[C@@H](CO)NC(=O)[C@]1(O)CCOC1 ZINC001557695419 894604295 /nfs/dbraw/zinc/60/42/95/894604295.db2.gz TVIBOPGYIDFVJV-KCJUWKMLSA-N 1 2 255.274 -1.279 20 0 CAADLO Cn1c[nH+]cc1[C@H](CO)NC(=O)[C@@]1(O)CCOC1 ZINC001557695418 894604605 /nfs/dbraw/zinc/60/46/05/894604605.db2.gz TVIBOPGYIDFVJV-GZMMTYOYSA-N 1 2 255.274 -1.279 20 0 CAADLO O=C(C[C@@H]1NC(=O)NC1=O)N1CC[NH2+][C@H](c2cn[nH]c2)C1 ZINC001557830922 894609162 /nfs/dbraw/zinc/60/91/62/894609162.db2.gz AKHBYZSVICNJLA-IUCAKERBSA-N 1 2 292.299 -1.519 20 0 CAADLO O=C(CN1C(=O)CNC1=O)N1CC[NH2+][C@@H](c2cn[nH]c2)C1 ZINC001557830834 894609373 /nfs/dbraw/zinc/60/93/73/894609373.db2.gz AEEJLPUJTYBUQD-SECBINFHSA-N 1 2 292.299 -1.566 20 0 CAADLO O=C(Cn1ncnn1)N1CC[NH2+][C@@H](c2cn[nH]c2)C1 ZINC001557832545 894610374 /nfs/dbraw/zinc/61/03/74/894610374.db2.gz SSJLCXPSCJMZRA-SECBINFHSA-N 1 2 262.277 -1.431 20 0 CAADLO O=C(Cn1ncnn1)N1CC[NH2+][C@H](c2cn[nH]c2)C1 ZINC001557832546 894610514 /nfs/dbraw/zinc/61/05/14/894610514.db2.gz SSJLCXPSCJMZRA-VIFPVBQESA-N 1 2 262.277 -1.431 20 0 CAADLO O=C(C[C@@H]1NC(=O)NC1=O)N1CC[NH2+][C@@H](c2cn[nH]c2)C1 ZINC001557830874 894610641 /nfs/dbraw/zinc/61/06/41/894610641.db2.gz AKHBYZSVICNJLA-DTWKUNHWSA-N 1 2 292.299 -1.519 20 0 CAADLO COCC[N@H+](C)C[C@@H](O)C[NH2+][C@]1(C(=O)[O-])CCOC1 ZINC001604584406 973676389 /nfs/dbraw/zinc/67/63/89/973676389.db2.gz QAFVANHRKCHMDY-CMPLNLGQSA-N 1 2 276.333 -1.241 20 0 CAADLO COCC[N@@H+](C)C[C@@H](O)C[NH2+][C@]1(C(=O)[O-])CCOC1 ZINC001604584406 973676394 /nfs/dbraw/zinc/67/63/94/973676394.db2.gz QAFVANHRKCHMDY-CMPLNLGQSA-N 1 2 276.333 -1.241 20 0 CAADLO C[NH+](C)CCN(CC(=O)[O-])C(=O)[C@H](O)c1c[nH+]c[nH]1 ZINC001604058531 974596962 /nfs/dbraw/zinc/59/69/62/974596962.db2.gz SIASLIOTVPXWSB-SNVBAGLBSA-N 1 2 270.289 -1.082 20 0 CAADLO CN(CC(=O)[O-])C(=O)CCN1CC[NH2+]CC[NH2+]CC1 ZINC001598409979 991731441 /nfs/dbraw/zinc/73/14/41/991731441.db2.gz XIZCYPPARBYUJT-UHFFFAOYSA-N 1 2 272.349 -1.586 20 0 CAADLO COC[C@H]([NH3+])C(=O)N1CC[NH+]([C@@H](C)CC(=O)[O-])CC1 ZINC001599275807 998607618 /nfs/dbraw/zinc/60/76/18/998607618.db2.gz QCKHNRYKVNOLKL-UWVGGRQHSA-N 1 2 273.333 -1.033 20 0 CAADLO CCn1c(N)c(C(=O)C[N@H+](C)CCOC)c(=O)[nH]c1=O ZINC000049236774 230158392 /nfs/dbraw/zinc/15/83/92/230158392.db2.gz NMYRTAXYIOAYIA-UHFFFAOYSA-N 1 2 284.316 -1.100 20 0 CAADLO CCn1c(N)c(C(=O)C[N@@H+](C)CCOC)c(=O)[nH]c1=O ZINC000049236774 230158397 /nfs/dbraw/zinc/15/83/97/230158397.db2.gz NMYRTAXYIOAYIA-UHFFFAOYSA-N 1 2 284.316 -1.100 20 0 CAADLO NS(=O)(=O)N1CC[NH+](CCN2CCCC2=O)CC1 ZINC000076871811 230162881 /nfs/dbraw/zinc/16/28/81/230162881.db2.gz IVIZGFIPWUZJEQ-UHFFFAOYSA-N 1 2 276.362 -1.570 20 0 CAADLO Cn1cc(C(=O)NC[C@H]2C[NH+]3CCN2CC3)nn1 ZINC000090698824 230163607 /nfs/dbraw/zinc/16/36/07/230163607.db2.gz GTUSPUWVQBDPQP-VIFPVBQESA-N 1 2 250.306 -1.455 20 0 CAADLO COCCCNC(=O)C[NH+]1CCN(CC(=O)OC)CC1 ZINC000105136616 230168885 /nfs/dbraw/zinc/16/88/85/230168885.db2.gz BMGRVDIFMZEJLT-UHFFFAOYSA-N 1 2 287.360 -1.070 20 0 CAADLO Cn1nccc1CN1CC[NH+](CCS(N)(=O)=O)CC1 ZINC000093741135 230167276 /nfs/dbraw/zinc/16/72/76/230167276.db2.gz POUGFCBSUMUOJH-UHFFFAOYSA-N 1 2 287.389 -1.174 20 0 CAADLO O=C(CO)N1CC[NH+](CCN2CCCC2=O)CC1 ZINC000152308121 230180387 /nfs/dbraw/zinc/18/03/87/230180387.db2.gz SITNVYLUKUPYPV-UHFFFAOYSA-N 1 2 255.318 -1.255 20 0 CAADLO Cn1cc(CN2CC[NH+](CCS(N)(=O)=O)CC2)cn1 ZINC000158008124 230182670 /nfs/dbraw/zinc/18/26/70/230182670.db2.gz VRFDWQVIBNUFQL-UHFFFAOYSA-N 1 2 287.389 -1.174 20 0 CAADLO Cn1cc(C[NH+]2CCN(CCS(N)(=O)=O)CC2)cn1 ZINC000158008124 230182677 /nfs/dbraw/zinc/18/26/77/230182677.db2.gz VRFDWQVIBNUFQL-UHFFFAOYSA-N 1 2 287.389 -1.174 20 0 CAADLO C[C@H]1CO[C@H](CO)C[N@H+]1CC(=O)N1CCNC1=O ZINC000168601821 230185629 /nfs/dbraw/zinc/18/56/29/230185629.db2.gz WPUSVQMMSDHNJC-IUCAKERBSA-N 1 2 257.290 -1.380 20 0 CAADLO C[C@@H]1CO[C@@H](CO)C[N@@H+]1CC(=O)N1CCNC1=O ZINC000168601911 230185641 /nfs/dbraw/zinc/18/56/41/230185641.db2.gz WPUSVQMMSDHNJC-RKDXNWHRSA-N 1 2 257.290 -1.380 20 0 CAADLO C[C@@H]1CO[C@@H](CO)C[N@H+]1CC(=O)N1CCNC1=O ZINC000168601911 230185648 /nfs/dbraw/zinc/18/56/48/230185648.db2.gz WPUSVQMMSDHNJC-RKDXNWHRSA-N 1 2 257.290 -1.380 20 0 CAADLO C[C@@H](NC(=O)CN1CCNCC1=O)[C@@H](C)[NH+]1CCOCC1 ZINC000167696263 230186273 /nfs/dbraw/zinc/18/62/73/230186273.db2.gz ZTBUMDZHPJHEEA-VXGBXAGGSA-N 1 2 298.387 -1.356 20 0 CAADLO C[C@@H](NC(=O)CN1CC[NH2+]CC1=O)[C@@H](C)N1CCOCC1 ZINC000167696263 230186278 /nfs/dbraw/zinc/18/62/78/230186278.db2.gz ZTBUMDZHPJHEEA-VXGBXAGGSA-N 1 2 298.387 -1.356 20 0 CAADLO COCCCNC(=O)C[N@@H+]1CCN2C(=O)NC[C@@H]2C1 ZINC000176926521 230191277 /nfs/dbraw/zinc/19/12/77/230191277.db2.gz QWLIUTFPXIQNCO-SNVBAGLBSA-N 1 2 270.333 -1.152 20 0 CAADLO COCCCNC(=O)C[N@H+]1CCN2C(=O)NC[C@@H]2C1 ZINC000176926521 230191280 /nfs/dbraw/zinc/19/12/80/230191280.db2.gz QWLIUTFPXIQNCO-SNVBAGLBSA-N 1 2 270.333 -1.152 20 0 CAADLO COCCS(=O)(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000179053228 230194131 /nfs/dbraw/zinc/19/41/31/230194131.db2.gz UNUXAXCMRGVKBH-SNVBAGLBSA-N 1 2 263.363 -1.448 20 0 CAADLO Nc1nccnc1C(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000178969204 230195361 /nfs/dbraw/zinc/19/53/61/230195361.db2.gz LVBWYXDZBDNLAV-SECBINFHSA-N 1 2 262.317 -1.212 20 0 CAADLO COCC(=O)N(C)CC(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000179454696 230199085 /nfs/dbraw/zinc/19/90/85/230199085.db2.gz MKHJJMBLJONILX-NSHDSACASA-N 1 2 284.360 -1.793 20 0 CAADLO Cn1cnn(CC(=O)NC[C@@H]2C[NH+]3CCN2CC3)c1=O ZINC000182590364 230201968 /nfs/dbraw/zinc/20/19/68/230201968.db2.gz YVPZCSLIYRREKF-SNVBAGLBSA-N 1 2 280.332 -2.302 20 0 CAADLO C[C@H]1CC[N@H+](CC(=O)N2CCNC(=O)C2)[C@H](C(N)=O)C1 ZINC000187402071 230203163 /nfs/dbraw/zinc/20/31/63/230203163.db2.gz HBHFJNDHBODHKE-UWVGGRQHSA-N 1 2 282.344 -1.469 20 0 CAADLO COCCS(=O)(=O)N1CC[N@H+](CCO)[C@H](C)C1 ZINC000188719371 230204657 /nfs/dbraw/zinc/20/46/57/230204657.db2.gz NPGYXFGYGSEPAC-SNVBAGLBSA-N 1 2 266.363 -1.039 20 0 CAADLO COCCS(=O)(=O)N1CC[N@@H+](CCO)[C@H](C)C1 ZINC000188719371 230204663 /nfs/dbraw/zinc/20/46/63/230204663.db2.gz NPGYXFGYGSEPAC-SNVBAGLBSA-N 1 2 266.363 -1.039 20 0 CAADLO C[C@H]1C(=O)NCCC[N@H+]1Cc1cc(=O)n(C)c(=O)n1C ZINC000189265941 230205149 /nfs/dbraw/zinc/20/51/49/230205149.db2.gz IGEFSAQIBJDWIP-VIFPVBQESA-N 1 2 280.328 -1.206 20 0 CAADLO C[C@H](CNC(=O)[C@@H](C)NC(N)=O)[NH+]1CCOCC1 ZINC000194327841 230209413 /nfs/dbraw/zinc/20/94/13/230209413.db2.gz GGCFUQUMZSBBKS-RKDXNWHRSA-N 1 2 258.322 -1.120 20 0 CAADLO C[C@@H]1C(=O)NCCN1CC(O)C[N@@H+]1CCNC(=O)[C@H]1C ZINC000245915709 230216217 /nfs/dbraw/zinc/21/62/17/230216217.db2.gz GITXNJJOUCYYFR-NXEZZACHSA-N 1 2 284.360 -2.012 20 0 CAADLO C[C@@H]1C(=O)NCCN1CC(O)C[N@H+]1CCNC(=O)[C@H]1C ZINC000245915709 230216221 /nfs/dbraw/zinc/21/62/21/230216221.db2.gz GITXNJJOUCYYFR-NXEZZACHSA-N 1 2 284.360 -2.012 20 0 CAADLO O=C1NC[C@@H]2C[N@H+](C[C@@H](O)CC(F)(F)F)CCN2C1=O ZINC000249505097 230217881 /nfs/dbraw/zinc/21/78/81/230217881.db2.gz YFTFTURYXZDNCK-SFYZADRCSA-N 1 2 295.261 -1.058 20 0 CAADLO O=C1NC[C@@H]2C[N@@H+](C[C@@H](O)CC(F)(F)F)CCN2C1=O ZINC000249505097 230217887 /nfs/dbraw/zinc/21/78/87/230217887.db2.gz YFTFTURYXZDNCK-SFYZADRCSA-N 1 2 295.261 -1.058 20 0 CAADLO NC(=O)NC(=O)CCNC(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000262695528 230231690 /nfs/dbraw/zinc/23/16/90/230231690.db2.gz BCTTZBWSFIOZKX-YFKPBYRVSA-N 1 2 264.232 -1.315 20 0 CAADLO C[C@H]1COCCN(C(=O)C(=O)NC[C@H]2C[N@H+](C)CCO2)C1 ZINC000358164740 230243379 /nfs/dbraw/zinc/24/33/79/230243379.db2.gz JABRGGGIAYDSDT-NEPJUHHUSA-N 1 2 299.371 -1.072 20 0 CAADLO C[C@H]1COCCN(C(=O)C(=O)NC[C@H]2C[N@@H+](C)CCO2)C1 ZINC000358164740 230243383 /nfs/dbraw/zinc/24/33/83/230243383.db2.gz JABRGGGIAYDSDT-NEPJUHHUSA-N 1 2 299.371 -1.072 20 0 CAADLO CC[C@H](CO)[NH+]1CCN(S(=O)(=O)NC)CC1 ZINC000429257383 529387536 /nfs/dbraw/zinc/38/75/36/529387536.db2.gz CZEZHYSPBZGKAW-SECBINFHSA-N 1 2 251.352 -1.161 20 0 CAADLO O=C(C[C@@H]1CCCC(=O)N1)N[C@@H](CO)C[NH+]1CCOCC1 ZINC000425291095 230285479 /nfs/dbraw/zinc/28/54/79/230285479.db2.gz HXRQLQAPDKLGBK-NWDGAFQWSA-N 1 2 299.371 -1.146 20 0 CAADLO O=C(CC(=O)NCC1CC1)NC[C@H](O)C[NH+]1CCOCC1 ZINC000427526354 230290155 /nfs/dbraw/zinc/29/01/55/230290155.db2.gz CCKGJJWFWTUFFV-LBPRGKRZSA-N 1 2 299.371 -1.288 20 0 CAADLO COCCN(CCOC)C(=O)CN1CC[NH2+]CC1=O ZINC000429605373 230300017 /nfs/dbraw/zinc/30/00/17/230300017.db2.gz QIHIDCPSCUFEIT-UHFFFAOYSA-N 1 2 273.333 -1.460 20 0 CAADLO CN(C)C(=O)CCNC(=O)CN1CC[NH2+]CC1=O ZINC000429677578 230300123 /nfs/dbraw/zinc/30/01/23/230300123.db2.gz XYLXHUQAUDFXLY-UHFFFAOYSA-N 1 2 256.306 -1.987 20 0 CAADLO C[C@@H]1C(=O)NCCN1C(=O)CN1CC[NH2+]CC1=O ZINC000429892522 230302649 /nfs/dbraw/zinc/30/26/49/230302649.db2.gz PEKHHWGIZZAUEB-MRVPVSSYSA-N 1 2 254.290 -2.235 20 0 CAADLO C[C@@H](NC(=O)CN1CC[NH2+]CC1=O)C(=O)N1CCOCC1 ZINC000429910339 230303155 /nfs/dbraw/zinc/30/31/55/230303155.db2.gz RSBIEFMHOKNNKF-SNVBAGLBSA-N 1 2 298.343 -2.218 20 0 CAADLO COC[C@](C)(NC(=O)CN1CC[NH2+]CC1=O)C(=O)OC ZINC000430453740 230304355 /nfs/dbraw/zinc/30/43/55/230304355.db2.gz XMLIOPMNOMRMBV-LBPRGKRZSA-N 1 2 287.316 -1.888 20 0 CAADLO O=C(CN1CC[NH2+]CC1=O)NCCCO[C@H]1CCOC1 ZINC000430431848 230304852 /nfs/dbraw/zinc/30/48/52/230304852.db2.gz YHKCBPFLTZZLLX-NSHDSACASA-N 1 2 285.344 -1.270 20 0 CAADLO O=C(CN1CC[NH2+]CC1=O)NC[C@H]1CCC[C@@H]1O ZINC000430276689 230305214 /nfs/dbraw/zinc/30/52/14/230305214.db2.gz COAJDPFRZHEITD-ZJUUUORDSA-N 1 2 255.318 -1.305 20 0 CAADLO CCS(=O)(=O)NCCNC(=O)CN1CC[NH2+]CC1=O ZINC000430197222 230305272 /nfs/dbraw/zinc/30/52/72/230305272.db2.gz OBZGXCCOLPHYEA-UHFFFAOYSA-N 1 2 292.361 -2.526 20 0 CAADLO C[C@@H]1COCCN1CCNC(=O)CN1CC[NH2+]CC1=O ZINC000430890423 230310984 /nfs/dbraw/zinc/31/09/84/230310984.db2.gz SVHBAJFIAXFNDT-LLVKDONJSA-N 1 2 284.360 -1.745 20 0 CAADLO OC[C@H]1CCCN1c1cc(N2C[C@@H](O)[C@@H](O)C2)[nH+]cn1 ZINC000433817161 230316980 /nfs/dbraw/zinc/31/69/80/230316980.db2.gz CRYYMYRFTVMXKI-MXWKQRLJSA-N 1 2 280.328 -1.021 20 0 CAADLO OC[C@H]1CCCN1c1cc(N2C[C@@H](O)[C@@H](O)C2)nc[nH+]1 ZINC000433817161 230316985 /nfs/dbraw/zinc/31/69/85/230316985.db2.gz CRYYMYRFTVMXKI-MXWKQRLJSA-N 1 2 280.328 -1.021 20 0 CAADLO CN(C)C(=O)CC(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000438165556 230322753 /nfs/dbraw/zinc/32/27/53/230322753.db2.gz CULIPIGSJPJIMB-SNVBAGLBSA-N 1 2 254.334 -1.419 20 0 CAADLO C[C@@H](O)CN1CC[NH+](Cc2cn(C)c(=O)n(C)c2=O)CC1 ZINC000438285187 230322822 /nfs/dbraw/zinc/32/28/22/230322822.db2.gz RJUDJKWKNXVGNB-LLVKDONJSA-N 1 2 296.371 -1.418 20 0 CAADLO COCCCNC(=O)C[N@@H+]1CCC[C@H]1CS(N)(=O)=O ZINC000440638386 230327166 /nfs/dbraw/zinc/32/71/66/230327166.db2.gz LTSXVSDHUKYIRK-JTQLQIEISA-N 1 2 293.389 -1.108 20 0 CAADLO COCCCNC(=O)C[N@H+]1CCC[C@H]1CS(N)(=O)=O ZINC000440638386 230327170 /nfs/dbraw/zinc/32/71/70/230327170.db2.gz LTSXVSDHUKYIRK-JTQLQIEISA-N 1 2 293.389 -1.108 20 0 CAADLO CN(C)S(=O)(=O)NC[C@@](C)(O)C[NH+]1CCOCC1 ZINC000443241173 230332703 /nfs/dbraw/zinc/33/27/03/230332703.db2.gz AHDMQACMUDMYLX-SNVBAGLBSA-N 1 2 281.378 -1.534 20 0 CAADLO CC[C@@H](C)[C@H](O)CNC(=O)CN1CC[NH2+]CC1=O ZINC000157852784 529422151 /nfs/dbraw/zinc/42/21/51/529422151.db2.gz WVMCBFBONKIMAS-NXEZZACHSA-N 1 2 257.334 -1.059 20 0 CAADLO CCn1c(N)c(C(=O)C[NH+]2C[C@H](O)[C@@H](O)C2)c(=O)[nH]c1=O ZINC000444712963 230338915 /nfs/dbraw/zinc/33/89/15/230338915.db2.gz XNONSLZZPQNQTH-BQBZGAKWSA-N 1 2 298.299 -2.229 20 0 CAADLO O=C1C(=O)N(CCC[NH+]2CCOCC2)C(=O)N1CCO ZINC000446866620 230340017 /nfs/dbraw/zinc/34/00/17/230340017.db2.gz QBFQEAQXXOPTRZ-UHFFFAOYSA-N 1 2 285.300 -1.508 20 0 CAADLO CC[C@@H](CCO)CNC(=O)CN1CC[NH2+]CC1=O ZINC000159126521 529464229 /nfs/dbraw/zinc/46/42/29/529464229.db2.gz ZTYMQUGNYWFHLI-JTQLQIEISA-N 1 2 257.334 -1.057 20 0 CAADLO C[C@H](O)C[NH+]1CCN(C(=O)C(=O)N2CCOC[C@H]2C)CC1 ZINC000460020594 230353890 /nfs/dbraw/zinc/35/38/90/230353890.db2.gz NKWAFZBXIFKIBK-NEPJUHHUSA-N 1 2 299.371 -1.241 20 0 CAADLO CC[C@@](C)(NC(=O)CN1CC[NH2+]CC1=O)C(=O)OC ZINC000430266824 529503131 /nfs/dbraw/zinc/50/31/31/529503131.db2.gz IAWBXMNFKXSOAH-GFCCVEGCSA-N 1 2 271.317 -1.124 20 0 CAADLO O=S(=O)(NC[C@@H]1C[NH+]2CCN1CC2)C1COC1 ZINC000493944965 230363401 /nfs/dbraw/zinc/36/34/01/230363401.db2.gz MMEJKYJHRIIISY-SECBINFHSA-N 1 2 261.347 -1.696 20 0 CAADLO NS(=O)(=O)CCC[N@@H+]1CCN2C(=O)OC[C@@H]2C1 ZINC000493565015 230363431 /nfs/dbraw/zinc/36/34/31/230363431.db2.gz LESPFGLJKXRHKH-QMMMGPOBSA-N 1 2 263.319 -1.199 20 0 CAADLO NS(=O)(=O)CCC[N@H+]1CCN2C(=O)OC[C@@H]2C1 ZINC000493565015 230363432 /nfs/dbraw/zinc/36/34/32/230363432.db2.gz LESPFGLJKXRHKH-QMMMGPOBSA-N 1 2 263.319 -1.199 20 0 CAADLO CC[C@@H](Nc1nc(NCCO)[nH+]c(NC(C)C)n1)[C@H](C)O ZINC000450805216 529570446 /nfs/dbraw/zinc/57/04/46/529570446.db2.gz ZQANYWKFDJGUBL-VHSXEESVSA-N 1 2 298.391 -1.067 20 0 CAADLO CC[C@@H](Nc1nc(NC(C)C)nc(NCCO)[nH+]1)[C@H](C)O ZINC000450805216 529570449 /nfs/dbraw/zinc/57/04/49/529570449.db2.gz ZQANYWKFDJGUBL-VHSXEESVSA-N 1 2 298.391 -1.067 20 0 CAADLO CC[C@@H](Nc1nc(NCCO)nc(NC(C)C)[nH+]1)[C@H](C)O ZINC000450805216 529570453 /nfs/dbraw/zinc/57/04/53/529570453.db2.gz ZQANYWKFDJGUBL-VHSXEESVSA-N 1 2 298.391 -1.067 20 0 CAADLO C[C@H]1OC(=O)N[C@@H]1C(=O)NCC[NH+]1CCOCC1 ZINC000495856679 230364514 /nfs/dbraw/zinc/36/45/14/230364514.db2.gz SYRGWBDZBGWLQY-BDAKNGLRSA-N 1 2 257.290 -1.068 20 0 CAADLO CC[C@H](O)C[NH+]1CCN(S(=O)(=O)NC)CC1 ZINC000429251942 529701377 /nfs/dbraw/zinc/70/13/77/529701377.db2.gz JKLKBXYPHHRHPV-VIFPVBQESA-N 1 2 251.352 -1.161 20 0 CAADLO C[N@@H+]1CCO[C@@H](C(=O)NC(C)(C)c2nn[nH]n2)C1 ZINC000354778263 529782032 /nfs/dbraw/zinc/78/20/32/529782032.db2.gz UFRFCIHITUXTST-SSDOTTSWSA-N 1 2 254.294 -1.118 20 0 CAADLO C[N@H+]1CCO[C@@H](C(=O)NC(C)(C)c2nn[nH]n2)C1 ZINC000354778263 529782034 /nfs/dbraw/zinc/78/20/34/529782034.db2.gz UFRFCIHITUXTST-SSDOTTSWSA-N 1 2 254.294 -1.118 20 0 CAADLO CN1C(=O)CC[C@@H](NC(=O)NC[C@H]2C[N@H+](C)CCO2)C1=O ZINC000333729211 529783628 /nfs/dbraw/zinc/78/36/28/529783628.db2.gz KSONHGZRZGWZDX-VHSXEESVSA-N 1 2 298.343 -1.236 20 0 CAADLO CN1C(=O)CC[C@@H](NC(=O)NC[C@H]2C[N@@H+](C)CCO2)C1=O ZINC000333729211 529783630 /nfs/dbraw/zinc/78/36/30/529783630.db2.gz KSONHGZRZGWZDX-VHSXEESVSA-N 1 2 298.343 -1.236 20 0 CAADLO CN1C(=O)CC[C@H](NC(=O)NC[C@H]2C[N@H+](C)CCO2)C1=O ZINC000333729210 529783771 /nfs/dbraw/zinc/78/37/71/529783771.db2.gz KSONHGZRZGWZDX-UWVGGRQHSA-N 1 2 298.343 -1.236 20 0 CAADLO CN1C(=O)CC[C@H](NC(=O)NC[C@H]2C[N@@H+](C)CCO2)C1=O ZINC000333729210 529783773 /nfs/dbraw/zinc/78/37/73/529783773.db2.gz KSONHGZRZGWZDX-UWVGGRQHSA-N 1 2 298.343 -1.236 20 0 CAADLO C[N@@H+]1CCO[C@H](C(=O)N2CCN(CCO)CC2)C1 ZINC000154942106 529787246 /nfs/dbraw/zinc/78/72/46/529787246.db2.gz RMQVXEKYQZMKDE-NSHDSACASA-N 1 2 257.334 -1.547 20 0 CAADLO C[N@H+]1CCO[C@H](C(=O)N2CCN(CCO)CC2)C1 ZINC000154942106 529787248 /nfs/dbraw/zinc/78/72/48/529787248.db2.gz RMQVXEKYQZMKDE-NSHDSACASA-N 1 2 257.334 -1.547 20 0 CAADLO C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000358155007 529788909 /nfs/dbraw/zinc/78/89/09/529788909.db2.gz NVRPRVKCRAADDU-GRYCIOLGSA-N 1 2 297.355 -1.177 20 0 CAADLO C[N@H+]1CCO[C@H](CNC(=O)C(=O)N2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000358155007 529788910 /nfs/dbraw/zinc/78/89/10/529788910.db2.gz NVRPRVKCRAADDU-GRYCIOLGSA-N 1 2 297.355 -1.177 20 0 CAADLO CN1C(=O)CC[C@H](NC(=O)NC[C@@H]2C[N@H+](C)CCO2)C1=O ZINC000333729213 529789453 /nfs/dbraw/zinc/78/94/53/529789453.db2.gz KSONHGZRZGWZDX-ZJUUUORDSA-N 1 2 298.343 -1.236 20 0 CAADLO CN1C(=O)CC[C@H](NC(=O)NC[C@@H]2C[N@@H+](C)CCO2)C1=O ZINC000333729213 529789454 /nfs/dbraw/zinc/78/94/54/529789454.db2.gz KSONHGZRZGWZDX-ZJUUUORDSA-N 1 2 298.343 -1.236 20 0 CAADLO Cn1nc(C(=O)NC[C@@H]2C[N@H+](C)CCO2)ccc1=O ZINC000194637885 529789690 /nfs/dbraw/zinc/78/96/90/529789690.db2.gz ILKJKEVPUJGOQB-SECBINFHSA-N 1 2 266.301 -1.159 20 0 CAADLO Cn1nc(C(=O)NC[C@@H]2C[N@@H+](C)CCO2)ccc1=O ZINC000194637885 529789691 /nfs/dbraw/zinc/78/96/91/529789691.db2.gz ILKJKEVPUJGOQB-SECBINFHSA-N 1 2 266.301 -1.159 20 0 CAADLO C[N@@H+]1CCO[C@H]2CCN(C(=O)C3(CO)COC3)C[C@@H]21 ZINC000329175822 529790121 /nfs/dbraw/zinc/79/01/21/529790121.db2.gz LPLZUJDXJOAKPV-QWRGUYRKSA-N 1 2 270.329 -1.073 20 0 CAADLO C[N@H+]1CCO[C@H]2CCN(C(=O)C3(CO)COC3)C[C@@H]21 ZINC000329175822 529790122 /nfs/dbraw/zinc/79/01/22/529790122.db2.gz LPLZUJDXJOAKPV-QWRGUYRKSA-N 1 2 270.329 -1.073 20 0 CAADLO CN1C[C@@H](NC(=O)CN2CC[NH2+]CC2=O)CCC1=O ZINC000430527851 529819692 /nfs/dbraw/zinc/81/96/92/529819692.db2.gz VZIXVSLEEMKEHF-VIFPVBQESA-N 1 2 268.317 -1.845 20 0 CAADLO CN1C[C@@H](NC(=O)[C@H]2COCC[N@@H+]2CC2CCC2)C(=O)N1 ZINC000450620732 529821027 /nfs/dbraw/zinc/82/10/27/529821027.db2.gz VXERRLLYGUNZLY-VXGBXAGGSA-N 1 2 296.371 -1.051 20 0 CAADLO CN1C[C@@H](NC(=O)[C@H]2COCC[N@H+]2CC2CCC2)C(=O)N1 ZINC000450620732 529821028 /nfs/dbraw/zinc/82/10/28/529821028.db2.gz VXERRLLYGUNZLY-VXGBXAGGSA-N 1 2 296.371 -1.051 20 0 CAADLO CN1C[C@H](C(=O)NCC[NH+]2CCOCC2)CC1=O ZINC000046121281 529824617 /nfs/dbraw/zinc/82/46/17/529824617.db2.gz XZGWCXZZUBLCCB-SNVBAGLBSA-N 1 2 255.318 -1.087 20 0 CAADLO CN1C[C@H](C[N@@H+]2CCN3C(=O)NC(=O)[C@@H]3C2)OC1=O ZINC000497222158 529825477 /nfs/dbraw/zinc/82/54/77/529825477.db2.gz YGJQCCRJKUADPH-SFYZADRCSA-N 1 2 268.273 -1.327 20 0 CAADLO CN1C[C@H](C[N@H+]2CCN3C(=O)NC(=O)[C@@H]3C2)OC1=O ZINC000497222158 529825478 /nfs/dbraw/zinc/82/54/78/529825478.db2.gz YGJQCCRJKUADPH-SFYZADRCSA-N 1 2 268.273 -1.327 20 0 CAADLO CN1C[C@H](C[N@@H+]2CCN3C(=O)C(=O)NC[C@@H]3C2)OC1=O ZINC000496812738 529825630 /nfs/dbraw/zinc/82/56/30/529825630.db2.gz ULWOHVBXFGQNAQ-RKDXNWHRSA-N 1 2 282.300 -1.920 20 0 CAADLO CN1C[C@H](C[N@H+]2CCN3C(=O)C(=O)NC[C@@H]3C2)OC1=O ZINC000496812738 529825632 /nfs/dbraw/zinc/82/56/32/529825632.db2.gz ULWOHVBXFGQNAQ-RKDXNWHRSA-N 1 2 282.300 -1.920 20 0 CAADLO CN1C[C@H](C[NH+]2CCN(C(=O)CO)CC2)OC1=O ZINC000496087008 529825664 /nfs/dbraw/zinc/82/56/64/529825664.db2.gz NZLKDNXKJORSAT-SECBINFHSA-N 1 2 257.290 -1.427 20 0 CAADLO CN1CC[C@H]([N@H+](C)CC(=O)N2CCC[C@@H](C(N)=O)C2)C1=O ZINC000352669624 529827365 /nfs/dbraw/zinc/82/73/65/529827365.db2.gz BHJBOLUAXODTEZ-MNOVXSKESA-N 1 2 296.371 -1.127 20 0 CAADLO CN1CC[C@H]([N@@H+](C)CC(=O)N2CCC[C@@H](C(N)=O)C2)C1=O ZINC000352669624 529827366 /nfs/dbraw/zinc/82/73/66/529827366.db2.gz BHJBOLUAXODTEZ-MNOVXSKESA-N 1 2 296.371 -1.127 20 0 CAADLO CN1C[C@@H](C(=O)NC[C@@H]2C[N@H+](C)CCO2)CC1=O ZINC000253359802 529816715 /nfs/dbraw/zinc/81/67/15/529816715.db2.gz NGQIBBLYFLRSFF-VHSXEESVSA-N 1 2 255.318 -1.089 20 0 CAADLO CN1C[C@@H](C(=O)NC[C@@H]2C[N@@H+](C)CCO2)CC1=O ZINC000253359802 529816716 /nfs/dbraw/zinc/81/67/16/529816716.db2.gz NGQIBBLYFLRSFF-VHSXEESVSA-N 1 2 255.318 -1.089 20 0 CAADLO CN1C[C@@H](C[N@@H+]2CCN3C(=O)NC(=O)[C@@H]3C2)OC1=O ZINC000497222159 529817506 /nfs/dbraw/zinc/81/75/06/529817506.db2.gz YGJQCCRJKUADPH-YUMQZZPRSA-N 1 2 268.273 -1.327 20 0 CAADLO CN1C[C@@H](C[N@H+]2CCN3C(=O)NC(=O)[C@@H]3C2)OC1=O ZINC000497222159 529817508 /nfs/dbraw/zinc/81/75/08/529817508.db2.gz YGJQCCRJKUADPH-YUMQZZPRSA-N 1 2 268.273 -1.327 20 0 CAADLO CNC(=O)C1(C(=O)N2CC[NH+](CCO)CC2)CC1 ZINC000154825342 529840359 /nfs/dbraw/zinc/84/03/59/529840359.db2.gz WCDZLHKOTCVALE-UHFFFAOYSA-N 1 2 255.318 -1.351 20 0 CAADLO C[N@H+](CC(=O)NC(N)=O)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000428782388 529831511 /nfs/dbraw/zinc/83/15/11/529831511.db2.gz TZAICZRQAZBZKI-ZETCQYMHSA-N 1 2 278.334 -1.853 20 0 CAADLO C[N@@H+](CC(=O)NC(N)=O)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000428782388 529831512 /nfs/dbraw/zinc/83/15/12/529831512.db2.gz TZAICZRQAZBZKI-ZETCQYMHSA-N 1 2 278.334 -1.853 20 0 CAADLO CN(CC(=O)NC1CC1)C(=O)CN1CC[NH2+]CC1=O ZINC000150752679 529832060 /nfs/dbraw/zinc/83/20/60/529832060.db2.gz HAKNCQWRZALMNP-UHFFFAOYSA-N 1 2 268.317 -1.845 20 0 CAADLO Cn1c(C[N@H+](C)CC(=O)NC2CC2)cc(=O)n(C)c1=O ZINC000194564450 529832140 /nfs/dbraw/zinc/83/21/40/529832140.db2.gz GLDGXCOSWQNHPA-UHFFFAOYSA-N 1 2 280.328 -1.206 20 0 CAADLO Cn1c(C[N@@H+](C)CC(=O)NC2CC2)cc(=O)n(C)c1=O ZINC000194564450 529832142 /nfs/dbraw/zinc/83/21/42/529832142.db2.gz GLDGXCOSWQNHPA-UHFFFAOYSA-N 1 2 280.328 -1.206 20 0 CAADLO C[N@H+](CC(=O)NCC(=O)NC(C)(C)C)[C@H]1COC[C@H]1O ZINC000352797479 529832867 /nfs/dbraw/zinc/83/28/67/529832867.db2.gz ILDXXYVMILBSIG-VHSXEESVSA-N 1 2 287.360 -1.291 20 0 CAADLO C[N@@H+](CC(=O)NCC(=O)NC(C)(C)C)[C@H]1COC[C@H]1O ZINC000352797479 529832868 /nfs/dbraw/zinc/83/28/68/529832868.db2.gz ILDXXYVMILBSIG-VHSXEESVSA-N 1 2 287.360 -1.291 20 0 CAADLO C[N@H+](CC(=O)NCC(=O)NC(C)(C)C)[C@@H]1COC[C@H]1O ZINC000352797475 529833026 /nfs/dbraw/zinc/83/30/26/529833026.db2.gz ILDXXYVMILBSIG-NXEZZACHSA-N 1 2 287.360 -1.291 20 0 CAADLO C[N@@H+](CC(=O)NCC(=O)NC(C)(C)C)[C@@H]1COC[C@H]1O ZINC000352797475 529833027 /nfs/dbraw/zinc/83/30/27/529833027.db2.gz ILDXXYVMILBSIG-NXEZZACHSA-N 1 2 287.360 -1.291 20 0 CAADLO CNc1nc(N[C@@H](C)CO)nc(N[C@H](C)CO)[nH+]1 ZINC000358458307 529834053 /nfs/dbraw/zinc/83/40/53/529834053.db2.gz OOHGKNFXCHUMFB-KNVOCYPGSA-N 1 2 256.310 -2.236 20 0 CAADLO CNc1nc(N[C@H](C)CO)nc(N[C@@H](C)CO)[nH+]1 ZINC000358458307 529834054 /nfs/dbraw/zinc/83/40/54/529834054.db2.gz OOHGKNFXCHUMFB-KNVOCYPGSA-N 1 2 256.310 -2.236 20 0 CAADLO CNc1nc(N[C@H](C)CO)[nH+]c(N[C@@H](C)CO)n1 ZINC000358458307 529834056 /nfs/dbraw/zinc/83/40/56/529834056.db2.gz OOHGKNFXCHUMFB-KNVOCYPGSA-N 1 2 256.310 -2.236 20 0 CAADLO CCC(=O)NCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(N)=O)C[C@H]1O ZINC001191863075 781923746 /nfs/dbraw/zinc/92/37/46/781923746.db2.gz BMGKPCNGSQYEIV-DJLDLDEBSA-N 1 2 286.332 -2.452 20 0 CAADLO CNC(=O)CNC(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000356125199 529863889 /nfs/dbraw/zinc/86/38/89/529863889.db2.gz OXRWZDKXMSGQDS-SECBINFHSA-N 1 2 258.322 -1.248 20 0 CAADLO CNC(=O)CNC(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000356125199 529863890 /nfs/dbraw/zinc/86/38/90/529863890.db2.gz OXRWZDKXMSGQDS-SECBINFHSA-N 1 2 258.322 -1.248 20 0 CAADLO CNC(=O)CNC(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000487534235 529863985 /nfs/dbraw/zinc/86/39/85/529863985.db2.gz HOHWPPVCDBZRNK-SNVBAGLBSA-N 1 2 270.333 -1.105 20 0 CAADLO CNC(=O)CNC(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000487534235 529863986 /nfs/dbraw/zinc/86/39/86/529863986.db2.gz HOHWPPVCDBZRNK-SNVBAGLBSA-N 1 2 270.333 -1.105 20 0 CAADLO CCC(=O)NCC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(N)=O)C[C@H]1O ZINC001191863075 781923754 /nfs/dbraw/zinc/92/37/54/781923754.db2.gz BMGKPCNGSQYEIV-DJLDLDEBSA-N 1 2 286.332 -2.452 20 0 CAADLO CN(CC1(CO)CC1)C(=O)C(=O)N1CC[NH+](C)CC1 ZINC000331811328 529853172 /nfs/dbraw/zinc/85/31/72/529853172.db2.gz GOOHCZPWTXNQTP-UHFFFAOYSA-N 1 2 269.345 -1.009 20 0 CAADLO CNC(=O)CC[NH+]1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC000052903184 529857492 /nfs/dbraw/zinc/85/74/92/529857492.db2.gz RWSXETRZBHJKRV-UHFFFAOYSA-N 1 2 282.344 -1.455 20 0 CAADLO CNC(=O)NC(=O)C[N@H+](C)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000428778729 529879637 /nfs/dbraw/zinc/87/96/37/529879637.db2.gz MTCYCQZCHQIUSG-MRVPVSSYSA-N 1 2 292.361 -1.592 20 0 CAADLO CNC(=O)NC(=O)C[N@@H+](C)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000428778729 529879638 /nfs/dbraw/zinc/87/96/38/529879638.db2.gz MTCYCQZCHQIUSG-MRVPVSSYSA-N 1 2 292.361 -1.592 20 0 CAADLO CNC(=O)NC(=O)C[N@@H+]1CCCN(C(C)=O)CC1 ZINC000016444093 529880050 /nfs/dbraw/zinc/88/00/50/529880050.db2.gz LABHCPZFVOKXTE-UHFFFAOYSA-N 1 2 256.306 -1.004 20 0 CAADLO CNC(=O)NC(=O)C[N@H+]1CCCN(C(C)=O)CC1 ZINC000016444093 529880052 /nfs/dbraw/zinc/88/00/52/529880052.db2.gz LABHCPZFVOKXTE-UHFFFAOYSA-N 1 2 256.306 -1.004 20 0 CAADLO CNC(=O)NC(=O)[C@H](C)[N@H+](C)[C@H]1CCN(C)C1=O ZINC000352669380 529880703 /nfs/dbraw/zinc/88/07/03/529880703.db2.gz ZKKXLNLGJCPEQG-YUMQZZPRSA-N 1 2 256.306 -1.007 20 0 CAADLO CNC(=O)NC(=O)[C@H](C)[N@@H+](C)[C@H]1CCN(C)C1=O ZINC000352669380 529880705 /nfs/dbraw/zinc/88/07/05/529880705.db2.gz ZKKXLNLGJCPEQG-YUMQZZPRSA-N 1 2 256.306 -1.007 20 0 CAADLO CNC(=O)N[C@H]1CC[N@H+](CC(=O)N[C@@H](C)C(=O)N(C)C)C1 ZINC000334048578 529890319 /nfs/dbraw/zinc/89/03/19/529890319.db2.gz VDWJQJFCIGMLAK-UWVGGRQHSA-N 1 2 299.375 -1.417 20 0 CAADLO CNC(=O)N[C@H]1CC[N@@H+](CC(=O)N[C@@H](C)C(=O)N(C)C)C1 ZINC000334048578 529890320 /nfs/dbraw/zinc/89/03/20/529890320.db2.gz VDWJQJFCIGMLAK-UWVGGRQHSA-N 1 2 299.375 -1.417 20 0 CAADLO CN(CC[NH+]1CCOCC1)C(=O)CN1CCN(C)C(=O)C1 ZINC000333098776 529910613 /nfs/dbraw/zinc/91/06/13/529910613.db2.gz UVBSSKPURBBESP-UHFFFAOYSA-N 1 2 298.387 -1.449 20 0 CAADLO CN(CC[NH+]1CCOCC1)C(=O)Cn1cnnn1 ZINC000171418293 529911078 /nfs/dbraw/zinc/91/10/78/529911078.db2.gz OMCIATOBXULZMM-UHFFFAOYSA-N 1 2 254.294 -1.536 20 0 CAADLO CN(CC[NH+]1CCOCC1)C(=O)[C@H]1COC(=O)N1 ZINC000495795383 529911283 /nfs/dbraw/zinc/91/12/83/529911283.db2.gz YDRVDWKWCVEBMN-SECBINFHSA-N 1 2 257.290 -1.115 20 0 CAADLO CNC(=O)[C@H](C)Nc1nc(C)[nH+]c(N[C@@H](C)C(=O)NC)n1 ZINC000488740665 529914041 /nfs/dbraw/zinc/91/40/41/529914041.db2.gz AQTRZAJHBBNJPK-BQBZGAKWSA-N 1 2 295.347 -1.883 20 0 CAADLO CN(CCn1cccn1)C(=O)CN1CC[NH2+]CC1=O ZINC000168813682 529940151 /nfs/dbraw/zinc/94/01/51/529940151.db2.gz VWBKGCNSAHLVRT-UHFFFAOYSA-N 1 2 265.317 -1.227 20 0 CAADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)[C@H]1CC(=O)N(C)C1 ZINC000329038522 529942373 /nfs/dbraw/zinc/94/23/73/529942373.db2.gz SAHUICXEOOHIGN-NWDGAFQWSA-N 1 2 299.371 -1.384 20 0 CAADLO CN1CCN(C(=O)C(=O)N2CCn3c[nH+]cc3C2)CC1=O ZINC000573572020 334948463 /nfs/dbraw/zinc/94/84/63/334948463.db2.gz JNWNMNIWZSZMOF-UHFFFAOYSA-N 1 2 291.311 -1.474 20 0 CAADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@H]1COC(=O)N1 ZINC000496771846 529959714 /nfs/dbraw/zinc/95/97/14/529959714.db2.gz DDDSZSPHWKBEGB-VHSXEESVSA-N 1 2 287.316 -1.754 20 0 CAADLO C[NH2+]CCNS(=O)(=O)c1c[nH]c2nc(=O)[nH]c(=O)c-2c1 ZINC000262738419 529978413 /nfs/dbraw/zinc/97/84/13/529978413.db2.gz HZROZWVJWCSFNC-UHFFFAOYSA-N 1 2 299.312 -1.066 20 0 CAADLO CNS(=O)(=O)CC(=O)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000424180185 530014113 /nfs/dbraw/zinc/01/41/13/530014113.db2.gz VBFSTPIINHHVOB-ZETCQYMHSA-N 1 2 285.316 -1.103 20 0 CAADLO Cn1c2[nH]c(C[N@H+](C)C3CC(O)C3)nc2c(=O)n(C)c1=O ZINC000353480031 530022716 /nfs/dbraw/zinc/02/27/16/530022716.db2.gz HQTBUHPCSWKTKO-UHFFFAOYSA-N 1 2 293.327 -1.085 20 0 CAADLO Cn1c2[nH]c(C[N@@H+](C)C3CC(O)C3)nc2c(=O)n(C)c1=O ZINC000353480031 530022717 /nfs/dbraw/zinc/02/27/17/530022717.db2.gz HQTBUHPCSWKTKO-UHFFFAOYSA-N 1 2 293.327 -1.085 20 0 CAADLO CNS(=O)(=O)CCNC(=O)NCC[NH+]1CCOCC1 ZINC000438874156 530016720 /nfs/dbraw/zinc/01/67/20/530016720.db2.gz JTXQCHUHSBJOGV-UHFFFAOYSA-N 1 2 294.377 -1.833 20 0 CAADLO CNS(=O)(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000351935833 530020920 /nfs/dbraw/zinc/02/09/20/530020920.db2.gz NXXALMOLQHETSV-UHFFFAOYSA-N 1 2 259.335 -1.009 20 0 CAADLO CNS(=O)(=O)NCC[NH+]1CCN(C(C)=O)CC1 ZINC000429237164 530023117 /nfs/dbraw/zinc/02/31/17/530023117.db2.gz WFAQKSAGWFABKQ-UHFFFAOYSA-N 1 2 264.351 -1.796 20 0 CAADLO CN(Cc1nnn(C)n1)C[C@H](O)C[NH+]1CCOCC1 ZINC000194440111 530031177 /nfs/dbraw/zinc/03/11/77/530031177.db2.gz YVEFKHHTDXNWAZ-JTQLQIEISA-N 1 2 270.337 -1.665 20 0 CAADLO CN1C(=O)C(=O)N(C[N@@H+]2CC[C@@H]3NC(=O)OC[C@H]3C2)C1=O ZINC000491849657 530040219 /nfs/dbraw/zinc/04/02/19/530040219.db2.gz SOKSVDLOVPNSPN-SFYZADRCSA-N 1 2 296.283 -1.205 20 0 CAADLO CN1C(=O)C(=O)N(C[N@H+]2CC[C@@H]3NC(=O)OC[C@H]3C2)C1=O ZINC000491849657 530040220 /nfs/dbraw/zinc/04/02/20/530040220.db2.gz SOKSVDLOVPNSPN-SFYZADRCSA-N 1 2 296.283 -1.205 20 0 CAADLO C[NH+]1CCN(C(=O)C(=O)N2CCC[C@H](O)C2)CC1 ZINC000459821289 530066132 /nfs/dbraw/zinc/06/61/32/530066132.db2.gz XSQYOXJQUZSXNL-JTQLQIEISA-N 1 2 255.318 -1.256 20 0 CAADLO C[NH+]1CCN(C(=O)C(=O)N2CCC[C@H]2CO)CC1 ZINC000460030728 530066156 /nfs/dbraw/zinc/06/61/56/530066156.db2.gz RDWFEHWXZTYCFF-JTQLQIEISA-N 1 2 255.318 -1.256 20 0 CAADLO C[NH+]1CCN(C(=O)C(=O)N(CCO)C2CC2)CC1 ZINC000332170436 530066285 /nfs/dbraw/zinc/06/62/85/530066285.db2.gz TXIMYZFHTAJNGM-UHFFFAOYSA-N 1 2 255.318 -1.256 20 0 CAADLO C[NH+]1CCN(C(=O)C(=O)N2CCN3CCOC[C@@H]3C2)CC1 ZINC000332579949 530066437 /nfs/dbraw/zinc/06/64/37/530066437.db2.gz FILGCAFQZVWWKK-LBPRGKRZSA-N 1 2 296.371 -1.697 20 0 CAADLO C[NH+]1CCN(C(=O)CN2CCc3n[nH]nc3C2)CC1 ZINC000429303355 530068206 /nfs/dbraw/zinc/06/82/06/530068206.db2.gz VZSWVROOYKWDAD-UHFFFAOYSA-N 1 2 264.333 -1.063 20 0 CAADLO CN1CC[N@H+](C)C[C@@H]1CNS(=O)(=O)C1COC1 ZINC000330221655 530070401 /nfs/dbraw/zinc/07/04/01/530070401.db2.gz RGYNXLJUIMHHDU-VIFPVBQESA-N 1 2 263.363 -1.450 20 0 CAADLO CN1CC[N@@H+](C)C[C@@H]1CNS(=O)(=O)C1COC1 ZINC000330221655 530070402 /nfs/dbraw/zinc/07/04/02/530070402.db2.gz RGYNXLJUIMHHDU-VIFPVBQESA-N 1 2 263.363 -1.450 20 0 CAADLO CN1CC[N@H+](C)[C@@H](CNC(=O)CN2CCN(C)C(=O)C2)C1 ZINC000333314682 530070505 /nfs/dbraw/zinc/07/05/05/530070505.db2.gz JXLASQDKNVVVJT-LBPRGKRZSA-N 1 2 297.403 -1.878 20 0 CAADLO CN1CC[N@@H+](C)[C@@H](CNC(=O)CN2CCN(C)C(=O)C2)C1 ZINC000333314682 530070506 /nfs/dbraw/zinc/07/05/06/530070506.db2.gz JXLASQDKNVVVJT-LBPRGKRZSA-N 1 2 297.403 -1.878 20 0 CAADLO CCN1CC[C@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)CC(N)=O)C2)C1=O ZINC001191989005 781925169 /nfs/dbraw/zinc/92/51/69/781925169.db2.gz ULKPSBIPVUCERZ-KXUCPTDWSA-N 1 2 298.343 -2.356 20 0 CAADLO CCN1CC[C@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)CC(N)=O)C2)C1=O ZINC001191989005 781925174 /nfs/dbraw/zinc/92/51/74/781925174.db2.gz ULKPSBIPVUCERZ-KXUCPTDWSA-N 1 2 298.343 -2.356 20 0 CAADLO CC(C)(C)C(=O)C(=O)N[C@@H]1C[N@H+](CCO)C[C@H]1O ZINC001191926431 781925306 /nfs/dbraw/zinc/92/53/06/781925306.db2.gz GFKFFCKBVXUNPC-RKDXNWHRSA-N 1 2 258.318 -1.245 20 0 CAADLO CC(C)(C)C(=O)C(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1O ZINC001191926431 781925316 /nfs/dbraw/zinc/92/53/16/781925316.db2.gz GFKFFCKBVXUNPC-RKDXNWHRSA-N 1 2 258.318 -1.245 20 0 CAADLO Cc1nccnc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)CC(N)=O)C1 ZINC001191987135 781925606 /nfs/dbraw/zinc/92/56/06/781925606.db2.gz GMSMTTLQCULTMY-GHMZBOCLSA-N 1 2 293.327 -1.678 20 0 CAADLO Cc1nccnc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC(N)=O)C1 ZINC001191987135 781925598 /nfs/dbraw/zinc/92/55/98/781925598.db2.gz GMSMTTLQCULTMY-GHMZBOCLSA-N 1 2 293.327 -1.678 20 0 CAADLO C[N@@H+]1CCO[C@H](C(=O)NC2(c3nn[nH]n3)CC2)C1 ZINC000348293768 290104120 /nfs/dbraw/zinc/10/41/20/290104120.db2.gz OXRLVDCDVGKTOM-ZETCQYMHSA-N 1 2 252.278 -1.364 20 0 CAADLO C[N@H+]1CCO[C@H](C(=O)NC2(c3nn[nH]n3)CC2)C1 ZINC000348293768 290104124 /nfs/dbraw/zinc/10/41/24/290104124.db2.gz OXRLVDCDVGKTOM-ZETCQYMHSA-N 1 2 252.278 -1.364 20 0 CAADLO CN1CC[C@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)CC(N)=O)C2)C1=O ZINC001191987164 781925853 /nfs/dbraw/zinc/92/58/53/781925853.db2.gz HYKWQQXVHVLBIG-HRDYMLBCSA-N 1 2 284.316 -2.746 20 0 CAADLO CN1CC[C@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)CC(N)=O)C2)C1=O ZINC001191987164 781925862 /nfs/dbraw/zinc/92/58/62/781925862.db2.gz HYKWQQXVHVLBIG-HRDYMLBCSA-N 1 2 284.316 -2.746 20 0 CAADLO CCN1CC[C@@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)CC(N)=O)C2)C1=O ZINC001191989006 781925991 /nfs/dbraw/zinc/92/59/91/781925991.db2.gz ULKPSBIPVUCERZ-OPRDCNLKSA-N 1 2 298.343 -2.356 20 0 CAADLO CCN1CC[C@@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)CC(N)=O)C2)C1=O ZINC001191989006 781926000 /nfs/dbraw/zinc/92/60/00/781926000.db2.gz ULKPSBIPVUCERZ-OPRDCNLKSA-N 1 2 298.343 -2.356 20 0 CAADLO CNS(=O)(=O)NCC(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000330469792 290780204 /nfs/dbraw/zinc/78/02/04/290780204.db2.gz ZNSSDUMRDKJEGN-SECBINFHSA-N 1 2 294.377 -2.123 20 0 CAADLO CN(C[C@@H](O)C[NH+]1CCOCC1)c1nccn(C)c1=O ZINC000333464947 282502178 /nfs/dbraw/zinc/50/21/78/282502178.db2.gz QGMWIBLRXQEZTB-LLVKDONJSA-N 1 2 282.344 -1.090 20 0 CAADLO CCN(C)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC(N)=O)C1 ZINC001191967015 781926899 /nfs/dbraw/zinc/92/68/99/781926899.db2.gz DJFIHDCPSIHVGO-RKDXNWHRSA-N 1 2 286.332 -2.499 20 0 CAADLO CCN(C)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CC(N)=O)C1 ZINC001191967015 781926904 /nfs/dbraw/zinc/92/69/04/781926904.db2.gz DJFIHDCPSIHVGO-RKDXNWHRSA-N 1 2 286.332 -2.499 20 0 CAADLO CCNC(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CCOC2)C1 ZINC001191959792 781926980 /nfs/dbraw/zinc/92/69/80/781926980.db2.gz HKNIRNWGGYALGL-QJPTWQEYSA-N 1 2 299.371 -1.290 20 0 CAADLO CCNC(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CCOC2)C1 ZINC001191959792 781926987 /nfs/dbraw/zinc/92/69/87/781926987.db2.gz HKNIRNWGGYALGL-QJPTWQEYSA-N 1 2 299.371 -1.290 20 0 CAADLO C[C@H](C(=O)NC1CC1)[N@H+]1C[C@@H](O)[C@H](NC(=O)CC(N)=O)C1 ZINC001191995975 781927081 /nfs/dbraw/zinc/92/70/81/781927081.db2.gz XODCGCGFBFYPNM-SZEHBUNVSA-N 1 2 298.343 -2.310 20 0 CAADLO C[C@H](C(=O)NC1CC1)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC(N)=O)C1 ZINC001191995975 781927070 /nfs/dbraw/zinc/92/70/70/781927070.db2.gz XODCGCGFBFYPNM-SZEHBUNVSA-N 1 2 298.343 -2.310 20 0 CAADLO NC(=O)CC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1O ZINC001191967353 781927339 /nfs/dbraw/zinc/92/73/39/781927339.db2.gz JVZVGBSWYPTTBD-RKDXNWHRSA-N 1 2 284.316 -2.745 20 0 CAADLO NC(=O)CC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1O ZINC001191967353 781927349 /nfs/dbraw/zinc/92/73/49/781927349.db2.gz JVZVGBSWYPTTBD-RKDXNWHRSA-N 1 2 284.316 -2.745 20 0 CAADLO C[NH+](C)C[C@H](CO)NC(=O)[C@@H]1CCCCS1(=O)=O ZINC000673521311 545595115 /nfs/dbraw/zinc/59/51/15/545595115.db2.gz PWRFNDXDISOLQA-ZJUUUORDSA-N 1 2 278.374 -1.008 20 0 CAADLO O=C(CN1CCOCC1)N[C@@H](CO)C[NH+]1CCOCC1 ZINC000673441959 545595241 /nfs/dbraw/zinc/59/52/41/545595241.db2.gz MMMRWNHQPBBKNA-GFCCVEGCSA-N 1 2 287.360 -1.872 20 0 CAADLO CC(C)NC(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC(N)=O)C1 ZINC001191979094 781929767 /nfs/dbraw/zinc/92/97/67/781929767.db2.gz PCQJIXNTRXZECP-RKDXNWHRSA-N 1 2 286.332 -2.452 20 0 CAADLO CC(C)NC(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CC(N)=O)C1 ZINC001191979094 781929773 /nfs/dbraw/zinc/92/97/73/781929773.db2.gz PCQJIXNTRXZECP-RKDXNWHRSA-N 1 2 286.332 -2.452 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC(N)=O)C1 ZINC001191979783 781930043 /nfs/dbraw/zinc/93/00/43/781930043.db2.gz VVTVPWMXAYKWBS-RRKCRQDMSA-N 1 2 258.278 -3.103 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)CC(N)=O)C1 ZINC001191979783 781930051 /nfs/dbraw/zinc/93/00/51/781930051.db2.gz VVTVPWMXAYKWBS-RRKCRQDMSA-N 1 2 258.278 -3.103 20 0 CAADLO Cc1nc(C)c(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)CC(N)=O)C2)o1 ZINC001191980002 781930071 /nfs/dbraw/zinc/93/00/71/781930071.db2.gz YXUPTWLHLPWYLT-NXEZZACHSA-N 1 2 296.327 -1.172 20 0 CAADLO Cc1nc(C)c(C[N@H+]2C[C@@H](O)[C@H](NC(=O)CC(N)=O)C2)o1 ZINC001191980002 781930074 /nfs/dbraw/zinc/93/00/74/781930074.db2.gz YXUPTWLHLPWYLT-NXEZZACHSA-N 1 2 296.327 -1.172 20 0 CAADLO CN(C)C(=O)C[NH+]1CCN(c2nccn3nnnc23)CC1 ZINC000674050996 545598088 /nfs/dbraw/zinc/59/80/88/545598088.db2.gz ISDNAJQSRKIBKN-UHFFFAOYSA-N 1 2 290.331 -1.271 20 0 CAADLO Cc1ncc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)CC(N)=O)C2)cn1 ZINC001191977409 781930629 /nfs/dbraw/zinc/93/06/29/781930629.db2.gz BQUBQENJOINILK-GHMZBOCLSA-N 1 2 293.327 -1.678 20 0 CAADLO Cc1ncc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)CC(N)=O)C2)cn1 ZINC001191977409 781930638 /nfs/dbraw/zinc/93/06/38/781930638.db2.gz BQUBQENJOINILK-GHMZBOCLSA-N 1 2 293.327 -1.678 20 0 CAADLO C[C@H](O)CCC[NH+]1CC2(C1)CN(C(=O)C(N)=O)CCO2 ZINC001273630726 781931114 /nfs/dbraw/zinc/93/11/14/781931114.db2.gz WAOXEBIKQACACI-JTQLQIEISA-N 1 2 285.344 -1.454 20 0 CAADLO CCN1C(=O)[C@H]2C[N@H+](Cc3nnnn3C)CCN2C1=O ZINC000674467553 545598675 /nfs/dbraw/zinc/59/86/75/545598675.db2.gz GMXYIHXJQZQTFM-MRVPVSSYSA-N 1 2 279.304 -1.322 20 0 CAADLO CCN1C(=O)[C@H]2C[N@@H+](Cc3nnnn3C)CCN2C1=O ZINC000674467553 545598681 /nfs/dbraw/zinc/59/86/81/545598681.db2.gz GMXYIHXJQZQTFM-MRVPVSSYSA-N 1 2 279.304 -1.322 20 0 CAADLO C[N@@H+]1CCO[C@@H]2CN(C(=O)[C@H]3COCCO3)C[C@@H]21 ZINC000329709772 283009279 /nfs/dbraw/zinc/00/92/79/283009279.db2.gz LVBOIEGCPWAGAE-HBNTYKKESA-N 1 2 256.302 -1.057 20 0 CAADLO C[N@H+]1CCO[C@@H]2CN(C(=O)[C@H]3COCCO3)C[C@@H]21 ZINC000329709772 283009280 /nfs/dbraw/zinc/00/92/80/283009280.db2.gz LVBOIEGCPWAGAE-HBNTYKKESA-N 1 2 256.302 -1.057 20 0 CAADLO CCN1C(=O)[C@@H]2C[N@H+](Cc3nnnn3C)CCN2C1=O ZINC000674467556 545599328 /nfs/dbraw/zinc/59/93/28/545599328.db2.gz GMXYIHXJQZQTFM-QMMMGPOBSA-N 1 2 279.304 -1.322 20 0 CAADLO CCN1C(=O)[C@@H]2C[N@@H+](Cc3nnnn3C)CCN2C1=O ZINC000674467556 545599332 /nfs/dbraw/zinc/59/93/32/545599332.db2.gz GMXYIHXJQZQTFM-QMMMGPOBSA-N 1 2 279.304 -1.322 20 0 CAADLO C[C@H](NC(=O)C[N@H+]1C[C@H](O)C[C@H](O)C1)C(=O)N(C)C ZINC000674465833 545599390 /nfs/dbraw/zinc/59/93/90/545599390.db2.gz QZFRFOZIEBPRME-LPEHRKFASA-N 1 2 273.333 -1.993 20 0 CAADLO C[C@H](NC(=O)C[N@@H+]1C[C@H](O)C[C@H](O)C1)C(=O)N(C)C ZINC000674465833 545599394 /nfs/dbraw/zinc/59/93/94/545599394.db2.gz QZFRFOZIEBPRME-LPEHRKFASA-N 1 2 273.333 -1.993 20 0 CAADLO C[C@@H](O)CCC[NH+]1CC2(C1)CN(C(=O)C(N)=O)CCO2 ZINC001273630727 781932311 /nfs/dbraw/zinc/93/23/11/781932311.db2.gz WAOXEBIKQACACI-SNVBAGLBSA-N 1 2 285.344 -1.454 20 0 CAADLO COC(=O)CCNC(=O)C[N@@H+]1CCCNC(=O)[C@@H]1C ZINC000375504833 291037765 /nfs/dbraw/zinc/03/77/65/291037765.db2.gz FQIKAEWCUJKONK-VIFPVBQESA-N 1 2 271.317 -1.124 20 0 CAADLO COC(=O)CCNC(=O)C[N@H+]1CCCNC(=O)[C@@H]1C ZINC000375504833 291037769 /nfs/dbraw/zinc/03/77/69/291037769.db2.gz FQIKAEWCUJKONK-VIFPVBQESA-N 1 2 271.317 -1.124 20 0 CAADLO COC(=O)CCNC(=O)C[N@@H+]1C[C@H]2OCCN(C)[C@H]2C1 ZINC000331184984 291041759 /nfs/dbraw/zinc/04/17/59/291041759.db2.gz ODXCOXSQXIMRHS-WDEREUQCSA-N 1 2 285.344 -1.320 20 0 CAADLO COC(=O)CCNC(=O)C[N@H+]1C[C@H]2OCCN(C)[C@H]2C1 ZINC000331184984 291041763 /nfs/dbraw/zinc/04/17/63/291041763.db2.gz ODXCOXSQXIMRHS-WDEREUQCSA-N 1 2 285.344 -1.320 20 0 CAADLO COC(=O)CCNC(=O)C[N@H+]1C[C@@H]2[C@H](C1)OCCN2C ZINC000331184982 291041140 /nfs/dbraw/zinc/04/11/40/291041140.db2.gz ODXCOXSQXIMRHS-MNOVXSKESA-N 1 2 285.344 -1.320 20 0 CAADLO COC(=O)CCNC(=O)C[N@@H+]1C[C@@H]2[C@H](C1)OCCN2C ZINC000331184982 291041143 /nfs/dbraw/zinc/04/11/43/291041143.db2.gz ODXCOXSQXIMRHS-MNOVXSKESA-N 1 2 285.344 -1.320 20 0 CAADLO C[C@H](NS(=O)(=O)N1CCOCC1)[C@H]1C[N@H+](C)CCO1 ZINC000676237353 545601122 /nfs/dbraw/zinc/60/11/22/545601122.db2.gz JCHSUOCZUGYEGM-WDEREUQCSA-N 1 2 293.389 -1.128 20 0 CAADLO C[C@H](NS(=O)(=O)N1CCOCC1)[C@H]1C[N@@H+](C)CCO1 ZINC000676237353 545601124 /nfs/dbraw/zinc/60/11/24/545601124.db2.gz JCHSUOCZUGYEGM-WDEREUQCSA-N 1 2 293.389 -1.128 20 0 CAADLO C[C@@H](NS(=O)(=O)N1CCOCC1)[C@@H]1C[N@H+](C)CCO1 ZINC000676237351 545601301 /nfs/dbraw/zinc/60/13/01/545601301.db2.gz JCHSUOCZUGYEGM-MNOVXSKESA-N 1 2 293.389 -1.128 20 0 CAADLO C[C@@H](NS(=O)(=O)N1CCOCC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676237351 545601307 /nfs/dbraw/zinc/60/13/07/545601307.db2.gz JCHSUOCZUGYEGM-MNOVXSKESA-N 1 2 293.389 -1.128 20 0 CAADLO CCC[N@H+](CC(=O)N(C)C)CC(=O)N1CCNC(=O)C1 ZINC000330501046 283084692 /nfs/dbraw/zinc/08/46/92/283084692.db2.gz SRCYAASUBJALBR-UHFFFAOYSA-N 1 2 284.360 -1.255 20 0 CAADLO CCC[N@@H+](CC(=O)N(C)C)CC(=O)N1CCNC(=O)C1 ZINC000330501046 283084694 /nfs/dbraw/zinc/08/46/94/283084694.db2.gz SRCYAASUBJALBR-UHFFFAOYSA-N 1 2 284.360 -1.255 20 0 CAADLO O=c1ccccn1CC[N@@H+]1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC000675893291 545601733 /nfs/dbraw/zinc/60/17/33/545601733.db2.gz FGBVRFYUPHRDLT-LLVKDONJSA-N 1 2 290.323 -1.509 20 0 CAADLO O=c1ccccn1CC[N@H+]1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC000675893291 545601737 /nfs/dbraw/zinc/60/17/37/545601737.db2.gz FGBVRFYUPHRDLT-LLVKDONJSA-N 1 2 290.323 -1.509 20 0 CAADLO CCN1C(=O)[C@@H]2C[N@@H+]([C@H]3CCNC3=O)CCN2C1=O ZINC000676241221 545601636 /nfs/dbraw/zinc/60/16/36/545601636.db2.gz JDZWPMGVEJEDGY-IUCAKERBSA-N 1 2 266.301 -1.157 20 0 CAADLO CCN1C(=O)[C@@H]2C[N@H+]([C@H]3CCNC3=O)CCN2C1=O ZINC000676241221 545601637 /nfs/dbraw/zinc/60/16/37/545601637.db2.gz JDZWPMGVEJEDGY-IUCAKERBSA-N 1 2 266.301 -1.157 20 0 CAADLO CCC[N@H+](CC(=O)NC(N)=O)[C@H]1CC(=O)N(C)C1=O ZINC000282621246 283095285 /nfs/dbraw/zinc/09/52/85/283095285.db2.gz ZWBLJRZCTXKNGP-ZETCQYMHSA-N 1 2 270.289 -1.349 20 0 CAADLO CCC[N@@H+](CC(=O)NC(N)=O)[C@H]1CC(=O)N(C)C1=O ZINC000282621246 283095289 /nfs/dbraw/zinc/09/52/89/283095289.db2.gz ZWBLJRZCTXKNGP-ZETCQYMHSA-N 1 2 270.289 -1.349 20 0 CAADLO CCC[N@H+](CC(=O)NC(=O)NC)[C@@H]1CC(=O)N(C)C1=O ZINC000282399576 283093970 /nfs/dbraw/zinc/09/39/70/283093970.db2.gz FFYDGXDSVQPPOK-MRVPVSSYSA-N 1 2 284.316 -1.089 20 0 CAADLO CCC[N@@H+](CC(=O)NC(=O)NC)[C@@H]1CC(=O)N(C)C1=O ZINC000282399576 283093972 /nfs/dbraw/zinc/09/39/72/283093972.db2.gz FFYDGXDSVQPPOK-MRVPVSSYSA-N 1 2 284.316 -1.089 20 0 CAADLO NC(=O)C1(C(=O)NC[C@@H]2C[NH+]3CCN2CC3)CC1 ZINC000676587458 545602361 /nfs/dbraw/zinc/60/23/61/545602361.db2.gz DVQDLFCYGOHTIA-SECBINFHSA-N 1 2 252.318 -1.632 20 0 CAADLO O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)c1ncn[nH]1 ZINC000676527939 545602415 /nfs/dbraw/zinc/60/24/15/545602415.db2.gz JFFUGDXPODYFTD-NSHDSACASA-N 1 2 294.359 -1.059 20 0 CAADLO O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)c1ncn[nH]1 ZINC000676527939 545602417 /nfs/dbraw/zinc/60/24/17/545602417.db2.gz JFFUGDXPODYFTD-NSHDSACASA-N 1 2 294.359 -1.059 20 0 CAADLO O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)c1nc[nH]n1 ZINC000676527939 545602420 /nfs/dbraw/zinc/60/24/20/545602420.db2.gz JFFUGDXPODYFTD-NSHDSACASA-N 1 2 294.359 -1.059 20 0 CAADLO O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)c1nc[nH]n1 ZINC000676527939 545602423 /nfs/dbraw/zinc/60/24/23/545602423.db2.gz JFFUGDXPODYFTD-NSHDSACASA-N 1 2 294.359 -1.059 20 0 CAADLO COC(=O)CNC(=O)C[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000280179240 291088246 /nfs/dbraw/zinc/08/82/46/291088246.db2.gz ACZSIFGMPZVRDE-VIFPVBQESA-N 1 2 271.317 -1.172 20 0 CAADLO COC(=O)CNC(=O)C[N@H+](C)[C@H]1CCCCNC1=O ZINC000363511139 291087950 /nfs/dbraw/zinc/08/79/50/291087950.db2.gz HBTVKUKQHPBHLU-VIFPVBQESA-N 1 2 271.317 -1.124 20 0 CAADLO COC(=O)CNC(=O)C[N@@H+](C)[C@H]1CCCCNC1=O ZINC000363511139 291087951 /nfs/dbraw/zinc/08/79/51/291087951.db2.gz HBTVKUKQHPBHLU-VIFPVBQESA-N 1 2 271.317 -1.124 20 0 CAADLO COC(=O)CNC(=O)C[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000280179240 291088244 /nfs/dbraw/zinc/08/82/44/291088244.db2.gz ACZSIFGMPZVRDE-VIFPVBQESA-N 1 2 271.317 -1.172 20 0 CAADLO COC(=O)CNC(=O)[C@@H](C)[N@H+](C)[C@H]1CCN(C)C1=O ZINC000265618638 291089568 /nfs/dbraw/zinc/08/95/68/291089568.db2.gz ALZHIMDSDHEFPL-BDAKNGLRSA-N 1 2 271.317 -1.173 20 0 CAADLO COC(=O)CNC(=O)[C@@H](C)[N@@H+](C)[C@H]1CCN(C)C1=O ZINC000265618638 291089570 /nfs/dbraw/zinc/08/95/70/291089570.db2.gz ALZHIMDSDHEFPL-BDAKNGLRSA-N 1 2 271.317 -1.173 20 0 CAADLO COC(=O)CNC(=O)[C@H](C)[N@H+](C)[C@@H]1CCN(C)C1=O ZINC000265618642 291091490 /nfs/dbraw/zinc/09/14/90/291091490.db2.gz ALZHIMDSDHEFPL-DTWKUNHWSA-N 1 2 271.317 -1.173 20 0 CAADLO COC(=O)CNC(=O)[C@H](C)[N@@H+](C)[C@@H]1CCN(C)C1=O ZINC000265618642 291091492 /nfs/dbraw/zinc/09/14/92/291091492.db2.gz ALZHIMDSDHEFPL-DTWKUNHWSA-N 1 2 271.317 -1.173 20 0 CAADLO CN(C1CC1)S(=O)(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000676562405 545603137 /nfs/dbraw/zinc/60/31/37/545603137.db2.gz OTNAKGNKFXRNIX-LLVKDONJSA-N 1 2 274.390 -1.085 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)/C=C/C2CC2)C1 ZINC001192064285 781935354 /nfs/dbraw/zinc/93/53/54/781935354.db2.gz ZKVJHHJZUPHDAG-XTDVADCMSA-N 1 2 267.329 -1.012 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)/C=C/C2CC2)C1 ZINC001192064285 781935362 /nfs/dbraw/zinc/93/53/62/781935362.db2.gz ZKVJHHJZUPHDAG-XTDVADCMSA-N 1 2 267.329 -1.012 20 0 CAADLO CCn1nc(C(=O)NC[C@@H]2C[NH+]3CCN2CC3)ccc1=O ZINC000676588230 545603741 /nfs/dbraw/zinc/60/37/41/545603741.db2.gz SEDUKTYVEJWSEG-LLVKDONJSA-N 1 2 291.355 -1.007 20 0 CAADLO O=C(CCN1CCCC1=O)NCCC[N@@H+]1CCNC(=O)C1 ZINC000677133557 545603751 /nfs/dbraw/zinc/60/37/51/545603751.db2.gz FOXZGLVBBGYOAV-UHFFFAOYSA-N 1 2 296.371 -1.063 20 0 CAADLO O=C(CCN1CCCC1=O)NCCC[N@H+]1CCNC(=O)C1 ZINC000677133557 545603755 /nfs/dbraw/zinc/60/37/55/545603755.db2.gz FOXZGLVBBGYOAV-UHFFFAOYSA-N 1 2 296.371 -1.063 20 0 CAADLO COC(=O)C[C@@H]1COCC[N@@H+]1CCN1C(=O)CNC1=O ZINC000347446363 291129500 /nfs/dbraw/zinc/12/95/00/291129500.db2.gz IFCMETRIIZIQRQ-SECBINFHSA-N 1 2 285.300 -1.198 20 0 CAADLO COC(=O)C[C@@H]1COCC[N@H+]1CCN1C(=O)CNC1=O ZINC000347446363 291129503 /nfs/dbraw/zinc/12/95/03/291129503.db2.gz IFCMETRIIZIQRQ-SECBINFHSA-N 1 2 285.300 -1.198 20 0 CAADLO CNC(=O)NC(=O)CN1CC[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000332701449 283355287 /nfs/dbraw/zinc/35/52/87/283355287.db2.gz VMFYTSZRTUNHOH-UWVGGRQHSA-N 1 2 270.333 -1.153 20 0 CAADLO CNC(=O)NC(=O)CN1CC[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000332701449 283355290 /nfs/dbraw/zinc/35/52/90/283355290.db2.gz VMFYTSZRTUNHOH-UWVGGRQHSA-N 1 2 270.333 -1.153 20 0 CAADLO CCCNC(=O)CN(C)C(=O)C[N@H+](CC)CC(N)=O ZINC000191697409 283363572 /nfs/dbraw/zinc/36/35/72/283363572.db2.gz DLQMNRSKRJJVGQ-UHFFFAOYSA-N 1 2 272.349 -1.222 20 0 CAADLO CCCNC(=O)CN(C)C(=O)C[N@@H+](CC)CC(N)=O ZINC000191697409 283363576 /nfs/dbraw/zinc/36/35/76/283363576.db2.gz DLQMNRSKRJJVGQ-UHFFFAOYSA-N 1 2 272.349 -1.222 20 0 CAADLO CNC(=O)N[C@@H]1CC[N@@H+]([C@H]2CC(=O)N(C)C2=O)C1 ZINC000342456008 283374540 /nfs/dbraw/zinc/37/45/40/283374540.db2.gz RGOTUOFPZLNUKS-SFYZADRCSA-N 1 2 254.290 -1.253 20 0 CAADLO CNC(=O)N[C@@H]1CC[N@H+]([C@H]2CC(=O)N(C)C2=O)C1 ZINC000342456008 283374544 /nfs/dbraw/zinc/37/45/44/283374544.db2.gz RGOTUOFPZLNUKS-SFYZADRCSA-N 1 2 254.290 -1.253 20 0 CAADLO CCn1nc(C(=O)NC[C@H]2C[NH+]3CCN2CC3)ccc1=O ZINC000676588232 545604177 /nfs/dbraw/zinc/60/41/77/545604177.db2.gz SEDUKTYVEJWSEG-NSHDSACASA-N 1 2 291.355 -1.007 20 0 CAADLO O=C(CNC(=O)c1cnco1)NCC[NH+]1CCOCC1 ZINC000677546898 545604661 /nfs/dbraw/zinc/60/46/61/545604661.db2.gz IMXIGAZVOIZODL-UHFFFAOYSA-N 1 2 282.300 -1.147 20 0 CAADLO O=C(CNC(=O)C1CC1)N(CCO)CC[NH+]1CCOCC1 ZINC000677443737 545604800 /nfs/dbraw/zinc/60/48/00/545604800.db2.gz HNSAWMUDWPKBQN-UHFFFAOYSA-N 1 2 299.371 -1.334 20 0 CAADLO CN(C[C@@H](O)C[NH+]1CCOCC1)S(=O)(=O)N1CCC1 ZINC000574061209 334989255 /nfs/dbraw/zinc/98/92/55/334989255.db2.gz CLFSXKXUFWYNEN-LLVKDONJSA-N 1 2 293.389 -1.438 20 0 CAADLO CN(C[C@H](O)C[NH+]1CCOCC1)S(=O)(=O)N1CCC1 ZINC000574061210 334989302 /nfs/dbraw/zinc/98/93/02/334989302.db2.gz CLFSXKXUFWYNEN-NSHDSACASA-N 1 2 293.389 -1.438 20 0 CAADLO C/C=C(\C)C(=O)N[C@@H]1C[N@@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1O ZINC001192128562 781937017 /nfs/dbraw/zinc/93/70/17/781937017.db2.gz WRKIUTOXTRICSO-UMZIMTRZSA-N 1 2 295.339 -1.081 20 0 CAADLO C/C=C(\C)C(=O)N[C@@H]1C[N@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1O ZINC001192128562 781937028 /nfs/dbraw/zinc/93/70/28/781937028.db2.gz WRKIUTOXTRICSO-UMZIMTRZSA-N 1 2 295.339 -1.081 20 0 CAADLO C[C@@H](NC(=O)C(=O)N(C)CCO)[C@H](C)[NH+]1CCOCC1 ZINC000343355697 296032601 /nfs/dbraw/zinc/03/26/01/296032601.db2.gz ZJDBRRLYBBXRDL-MNOVXSKESA-N 1 2 287.360 -1.338 20 0 CAADLO CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCc2nc[nH]n2)C1 ZINC001192110425 781937729 /nfs/dbraw/zinc/93/77/29/781937729.db2.gz ZKWXQOCWKOZYMW-GHMZBOCLSA-N 1 2 297.359 -1.065 20 0 CAADLO CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCc2nc[nH]n2)C1 ZINC001192110425 781937737 /nfs/dbraw/zinc/93/77/37/781937737.db2.gz ZKWXQOCWKOZYMW-GHMZBOCLSA-N 1 2 297.359 -1.065 20 0 CAADLO CNC(=O)CC(=O)N[C@@H]1C[N@H+](Cc2cnn(C)c2)C[C@H]1O ZINC001192429885 781941278 /nfs/dbraw/zinc/94/12/78/781941278.db2.gz RPDZPRHIJDYHEV-GHMZBOCLSA-N 1 2 295.343 -1.783 20 0 CAADLO CNC(=O)CC(=O)N[C@@H]1C[N@@H+](Cc2cnn(C)c2)C[C@H]1O ZINC001192429885 781941287 /nfs/dbraw/zinc/94/12/87/781941287.db2.gz RPDZPRHIJDYHEV-GHMZBOCLSA-N 1 2 295.343 -1.783 20 0 CAADLO CCNC(=O)CC(=O)N[C@@H]1C[N@H+](CC(=O)NC)C[C@H]1O ZINC001192364357 781941482 /nfs/dbraw/zinc/94/14/82/781941482.db2.gz RIXIIYGAXDCWIY-RKDXNWHRSA-N 1 2 286.332 -2.580 20 0 CAADLO CCNC(=O)CC(=O)N[C@@H]1C[N@@H+](CC(=O)NC)C[C@H]1O ZINC001192364357 781941492 /nfs/dbraw/zinc/94/14/92/781941492.db2.gz RIXIIYGAXDCWIY-RKDXNWHRSA-N 1 2 286.332 -2.580 20 0 CAADLO CNC(=O)CC(=O)N[C@@H]1C[N@H+](CC(=O)NC2CC2)C[C@H]1O ZINC001192437588 781943510 /nfs/dbraw/zinc/94/35/10/781943510.db2.gz FVXWKSQMXMMKSN-NXEZZACHSA-N 1 2 298.343 -2.438 20 0 CAADLO CNC(=O)CC(=O)N[C@@H]1C[N@@H+](CC(=O)NC2CC2)C[C@H]1O ZINC001192437588 781943518 /nfs/dbraw/zinc/94/35/18/781943518.db2.gz FVXWKSQMXMMKSN-NXEZZACHSA-N 1 2 298.343 -2.438 20 0 CAADLO CC[C@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC(=O)NC)C1 ZINC001192463304 781946334 /nfs/dbraw/zinc/94/63/34/781946334.db2.gz RKXWIDWCNTYWCK-IWSPIJDZSA-N 1 2 286.332 -2.452 20 0 CAADLO CC[C@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)CC(=O)NC)C1 ZINC001192463304 781946342 /nfs/dbraw/zinc/94/63/42/781946342.db2.gz RKXWIDWCNTYWCK-IWSPIJDZSA-N 1 2 286.332 -2.452 20 0 CAADLO CNC(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)/C=C\c2ccc[nH]2)C1 ZINC001192452850 781945959 /nfs/dbraw/zinc/94/59/59/781945959.db2.gz IOMJVAKJDGXQAD-XLMCQVRKSA-N 1 2 292.339 -1.065 20 0 CAADLO CNC(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)/C=C\c2ccc[nH]2)C1 ZINC001192452850 781945964 /nfs/dbraw/zinc/94/59/64/781945964.db2.gz IOMJVAKJDGXQAD-XLMCQVRKSA-N 1 2 292.339 -1.065 20 0 CAADLO CNC(=O)CC(=O)N[C@@H]1C[N@H+](Cc2cncs2)C[C@H]1O ZINC001192463544 781946033 /nfs/dbraw/zinc/94/60/33/781946033.db2.gz VUWHVHUSOQFTRC-NXEZZACHSA-N 1 2 298.368 -1.060 20 0 CAADLO CNC(=O)CC(=O)N[C@@H]1C[N@@H+](Cc2cncs2)C[C@H]1O ZINC001192463544 781946042 /nfs/dbraw/zinc/94/60/42/781946042.db2.gz VUWHVHUSOQFTRC-NXEZZACHSA-N 1 2 298.368 -1.060 20 0 CAADLO CC[C@@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC(=O)NC)C1 ZINC001192463303 781946218 /nfs/dbraw/zinc/94/62/18/781946218.db2.gz RKXWIDWCNTYWCK-HRDYMLBCSA-N 1 2 286.332 -2.452 20 0 CAADLO CC[C@@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)CC(=O)NC)C1 ZINC001192463303 781946229 /nfs/dbraw/zinc/94/62/29/781946229.db2.gz RKXWIDWCNTYWCK-HRDYMLBCSA-N 1 2 286.332 -2.452 20 0 CAADLO CNC(=O)CC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(N)=O)C[C@H]1O ZINC001192453386 781946710 /nfs/dbraw/zinc/94/67/10/781946710.db2.gz LZUBPGZGIGDPGJ-XLPZGREQSA-N 1 2 272.305 -2.842 20 0 CAADLO CNC(=O)CC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(N)=O)C[C@H]1O ZINC001192453386 781946716 /nfs/dbraw/zinc/94/67/16/781946716.db2.gz LZUBPGZGIGDPGJ-XLPZGREQSA-N 1 2 272.305 -2.842 20 0 CAADLO COC1(CC(=O)N[C@@H]2C[N@@H+]([C@H](C)C(N)=O)C[C@H]2O)CCC1 ZINC001192539457 781948339 /nfs/dbraw/zinc/94/83/39/781948339.db2.gz IDLXXTTXLIAEOJ-GMTAPVOTSA-N 1 2 299.371 -1.019 20 0 CAADLO COC1(CC(=O)N[C@@H]2C[N@H+]([C@H](C)C(N)=O)C[C@H]2O)CCC1 ZINC001192539457 781948346 /nfs/dbraw/zinc/94/83/46/781948346.db2.gz IDLXXTTXLIAEOJ-GMTAPVOTSA-N 1 2 299.371 -1.019 20 0 CAADLO [NH3+][C@@H]1NCN(C(=O)c2c(F)ccc(O)c2F)[C@@H]2NCN[C@H]21 ZINC001192555965 781948819 /nfs/dbraw/zinc/94/88/19/781948819.db2.gz HNUVYSBRDOJHDY-AXFHLTTASA-N 1 2 299.281 -1.197 20 0 CAADLO O=C(CCn1ccnn1)N[C@@H]1C[N@@H+](CCF)C[C@H]1O ZINC001192547896 781948848 /nfs/dbraw/zinc/94/88/48/781948848.db2.gz WSPNBXRMEFLACC-NXEZZACHSA-N 1 2 271.296 -1.201 20 0 CAADLO O=C(CCn1ccnn1)N[C@@H]1C[N@H+](CCF)C[C@H]1O ZINC001192547896 781948854 /nfs/dbraw/zinc/94/88/54/781948854.db2.gz WSPNBXRMEFLACC-NXEZZACHSA-N 1 2 271.296 -1.201 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCn2ccnn2)C1 ZINC001192484992 781949801 /nfs/dbraw/zinc/94/98/01/781949801.db2.gz ULKRCJKHVFTHQB-IVZWLZJFSA-N 1 2 296.331 -2.297 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCn2ccnn2)C1 ZINC001192484992 781949808 /nfs/dbraw/zinc/94/98/08/781949808.db2.gz ULKRCJKHVFTHQB-IVZWLZJFSA-N 1 2 296.331 -2.297 20 0 CAADLO [NH3+][C@@H]1NCN(C(=O)c2c(F)ccc(O)c2F)[C@@H]2NCN[C@@H]21 ZINC001192555968 781949846 /nfs/dbraw/zinc/94/98/46/781949846.db2.gz HNUVYSBRDOJHDY-MXWKQRLJSA-N 1 2 299.281 -1.197 20 0 CAADLO COC1(CC(=O)N[C@@H]2C[N@@H+]([C@@H](C)C(N)=O)C[C@H]2O)CCC1 ZINC001192539464 781950094 /nfs/dbraw/zinc/95/00/94/781950094.db2.gz IDLXXTTXLIAEOJ-HBNTYKKESA-N 1 2 299.371 -1.019 20 0 CAADLO COC1(CC(=O)N[C@@H]2C[N@H+]([C@@H](C)C(N)=O)C[C@H]2O)CCC1 ZINC001192539464 781950103 /nfs/dbraw/zinc/95/01/03/781950103.db2.gz IDLXXTTXLIAEOJ-HBNTYKKESA-N 1 2 299.371 -1.019 20 0 CAADLO C[C@@H](NC(=O)C[N@@H+]1CCC[C@@H]1C(N)=O)C(=O)N(C)C ZINC000051562766 296047978 /nfs/dbraw/zinc/04/79/78/296047978.db2.gz WSQKESTYUVQAGN-RKDXNWHRSA-N 1 2 270.333 -1.471 20 0 CAADLO C[C@@H](NC(=O)C[N@H+]1CCC[C@@H]1C(N)=O)C(=O)N(C)C ZINC000051562766 296047979 /nfs/dbraw/zinc/04/79/79/296047979.db2.gz WSQKESTYUVQAGN-RKDXNWHRSA-N 1 2 270.333 -1.471 20 0 CAADLO CC[C@@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC(C)(C)O)C1 ZINC001192614990 781952223 /nfs/dbraw/zinc/95/22/23/781952223.db2.gz IFQPEQMRXKUVOZ-KXUCPTDWSA-N 1 2 287.360 -1.427 20 0 CAADLO CC[C@@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)CC(C)(C)O)C1 ZINC001192614990 781952233 /nfs/dbraw/zinc/95/22/33/781952233.db2.gz IFQPEQMRXKUVOZ-KXUCPTDWSA-N 1 2 287.360 -1.427 20 0 CAADLO [NH3+][C@@H]1NCN(C(=O)c2cc(O)cc(F)c2F)[C@H]2NCN[C@@H]21 ZINC001192684747 781953779 /nfs/dbraw/zinc/95/37/79/781953779.db2.gz VLHDWIULYNUABG-GMTAPVOTSA-N 1 2 299.281 -1.197 20 0 CAADLO COCC(=O)NC[C@@H]1CCC2(C[NH+](CCO)C2)O1 ZINC001273646647 781955838 /nfs/dbraw/zinc/95/58/38/781955838.db2.gz ODTFPVHZRSMWBG-JTQLQIEISA-N 1 2 258.318 -1.025 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC2(O)CCC2)C1 ZINC001192785732 781955908 /nfs/dbraw/zinc/95/59/08/781955908.db2.gz WVHOPYUTPGTNHN-IVZWLZJFSA-N 1 2 285.344 -1.673 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)CC2(O)CCC2)C1 ZINC001192785732 781955913 /nfs/dbraw/zinc/95/59/13/781955913.db2.gz WVHOPYUTPGTNHN-IVZWLZJFSA-N 1 2 285.344 -1.673 20 0 CAADLO [NH3+][C@@H]1NCN(C(=O)c2c(O)ccc(F)c2F)[C@@H]2NCN[C@H]21 ZINC001192785141 781956089 /nfs/dbraw/zinc/95/60/89/781956089.db2.gz UHSJHPSRLAGTTO-AXFHLTTASA-N 1 2 299.281 -1.197 20 0 CAADLO O=C(CC1(O)CCC1)N[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@H]1O ZINC001192796510 781957262 /nfs/dbraw/zinc/95/72/62/781957262.db2.gz DCNKHTQYANHABF-GMTAPVOTSA-N 1 2 297.355 -1.659 20 0 CAADLO O=C(CC1(O)CCC1)N[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@H]1O ZINC001192796510 781957272 /nfs/dbraw/zinc/95/72/72/781957272.db2.gz DCNKHTQYANHABF-GMTAPVOTSA-N 1 2 297.355 -1.659 20 0 CAADLO COCC1(CC(=O)N[C@@H]2C[N@@H+]([C@@H](C)C(N)=O)C[C@H]2O)CC1 ZINC001192836317 781957389 /nfs/dbraw/zinc/95/73/89/781957389.db2.gz WWFQBZJXXFIUIX-HBNTYKKESA-N 1 2 299.371 -1.162 20 0 CAADLO COCC1(CC(=O)N[C@@H]2C[N@H+]([C@@H](C)C(N)=O)C[C@H]2O)CC1 ZINC001192836317 781957400 /nfs/dbraw/zinc/95/74/00/781957400.db2.gz WWFQBZJXXFIUIX-HBNTYKKESA-N 1 2 299.371 -1.162 20 0 CAADLO C[C@](O)(C[N@@H+]1CCN2C(=O)C(=O)NC[C@@H]2C1)C(F)(F)F ZINC000369070961 291342001 /nfs/dbraw/zinc/34/20/01/291342001.db2.gz KYLVTMIDDVDLHI-XCBNKYQSSA-N 1 2 295.261 -1.058 20 0 CAADLO C[C@](O)(C[N@H+]1CCN2C(=O)C(=O)NC[C@@H]2C1)C(F)(F)F ZINC000369070961 291342005 /nfs/dbraw/zinc/34/20/05/291342005.db2.gz KYLVTMIDDVDLHI-XCBNKYQSSA-N 1 2 295.261 -1.058 20 0 CAADLO C[C@@H](NC(=O)C[N@H+]1CCNC(=O)C[C@@H]1C)C(=O)N(C)C ZINC000677715491 545606244 /nfs/dbraw/zinc/60/62/44/545606244.db2.gz MZAIRNGYEINHDG-VHSXEESVSA-N 1 2 284.360 -1.210 20 0 CAADLO C[C@@H](NC(=O)C[N@@H+]1CCNC(=O)C[C@@H]1C)C(=O)N(C)C ZINC000677715491 545606240 /nfs/dbraw/zinc/60/62/40/545606240.db2.gz MZAIRNGYEINHDG-VHSXEESVSA-N 1 2 284.360 -1.210 20 0 CAADLO CCNC(=O)CC[N@@H+]1CCN(CC(N)=O)C(=O)C1 ZINC000574217990 335001991 /nfs/dbraw/zinc/00/19/91/335001991.db2.gz PVBMZXXXLAEHIY-UHFFFAOYSA-N 1 2 256.306 -1.858 20 0 CAADLO CCNC(=O)CC[N@H+]1CCN(CC(N)=O)C(=O)C1 ZINC000574217990 335001992 /nfs/dbraw/zinc/00/19/92/335001992.db2.gz PVBMZXXXLAEHIY-UHFFFAOYSA-N 1 2 256.306 -1.858 20 0 CAADLO C[N@H+](CC(=O)NCC(=O)N1CCCC1)[C@@H]1COC[C@H]1O ZINC000574331605 335011342 /nfs/dbraw/zinc/01/13/42/335011342.db2.gz HDSDWQVXHJCQLF-GHMZBOCLSA-N 1 2 285.344 -1.584 20 0 CAADLO C[N@@H+](CC(=O)NCC(=O)N1CCCC1)[C@@H]1COC[C@H]1O ZINC000574331605 335011344 /nfs/dbraw/zinc/01/13/44/335011344.db2.gz HDSDWQVXHJCQLF-GHMZBOCLSA-N 1 2 285.344 -1.584 20 0 CAADLO CN(C)C(=O)NCCN(C)C(=O)CN1CC[NH2+]CC1=O ZINC000574319977 335010005 /nfs/dbraw/zinc/01/00/05/335010005.db2.gz WWBDBNBQWUUTES-UHFFFAOYSA-N 1 2 285.348 -1.852 20 0 CAADLO COC(=O)[C@@H]1CNC(=O)CN1CC[N@@H+]1CCO[C@@H](C)C1 ZINC000337362108 284129548 /nfs/dbraw/zinc/12/95/48/284129548.db2.gz HERNPYKWOJLQAN-QWRGUYRKSA-N 1 2 285.344 -1.320 20 0 CAADLO COC(=O)[C@@H]1CNC(=O)CN1CC[N@H+]1CCO[C@@H](C)C1 ZINC000337362108 284129551 /nfs/dbraw/zinc/12/95/51/284129551.db2.gz HERNPYKWOJLQAN-QWRGUYRKSA-N 1 2 285.344 -1.320 20 0 CAADLO C[C@@H](CNC(=O)Cn1ccc(=O)[nH]c1=O)[NH+]1CCOCC1 ZINC000047639802 372751214 /nfs/dbraw/zinc/75/12/14/372751214.db2.gz NXDSRVFGQOBAGF-JTQLQIEISA-N 1 2 296.327 -1.627 20 0 CAADLO COC[C@@H](CCO)NS(=O)(=O)C[C@@H]1C[N@H+](C)CCO1 ZINC000632149163 372791695 /nfs/dbraw/zinc/79/16/95/372791695.db2.gz NYRGVZVAYGYMHE-MNOVXSKESA-N 1 2 296.389 -1.366 20 0 CAADLO COC[C@@H](CCO)NS(=O)(=O)C[C@@H]1C[N@@H+](C)CCO1 ZINC000632149163 372791708 /nfs/dbraw/zinc/79/17/08/372791708.db2.gz NYRGVZVAYGYMHE-MNOVXSKESA-N 1 2 296.389 -1.366 20 0 CAADLO O=C1NC[C@H]2C[N@H+](C[C@@H](O)CC3(O)CCC3)CCN2C1=O ZINC000625225546 372795022 /nfs/dbraw/zinc/79/50/22/372795022.db2.gz QLVUFCNPSSPLJX-QWRGUYRKSA-N 1 2 297.355 -1.705 20 0 CAADLO O=C1NC[C@H]2C[N@@H+](C[C@@H](O)CC3(O)CCC3)CCN2C1=O ZINC000625225546 372795032 /nfs/dbraw/zinc/79/50/32/372795032.db2.gz QLVUFCNPSSPLJX-QWRGUYRKSA-N 1 2 297.355 -1.705 20 0 CAADLO CNS(=O)(=O)CC[NH+]1CCN(c2nncn2C)CC1 ZINC000621312902 372776496 /nfs/dbraw/zinc/77/64/96/372776496.db2.gz LLTNKGORBWUFMV-UHFFFAOYSA-N 1 2 288.377 -1.514 20 0 CAADLO O=C1NC[C@H]2C[N@H+](CCOC3CCOCC3)CCN2C1=O ZINC000625222774 372795060 /nfs/dbraw/zinc/79/50/60/372795060.db2.gz KXWLWGNLRXOSBT-NSHDSACASA-N 1 2 297.355 -1.175 20 0 CAADLO O=C1NC[C@H]2C[N@@H+](CCOC3CCOCC3)CCN2C1=O ZINC000625222774 372795071 /nfs/dbraw/zinc/79/50/71/372795071.db2.gz KXWLWGNLRXOSBT-NSHDSACASA-N 1 2 297.355 -1.175 20 0 CAADLO CN1CN(C(=O)NC[C@@H]2COCC[N@@H+]2C)CC1=O ZINC000624733969 372781290 /nfs/dbraw/zinc/78/12/90/372781290.db2.gz VZNAPIRQQYBIMX-SECBINFHSA-N 1 2 256.306 -1.242 20 0 CAADLO CN1CN(C(=O)NC[C@@H]2COCC[N@H+]2C)CC1=O ZINC000624733969 372781298 /nfs/dbraw/zinc/78/12/98/372781298.db2.gz VZNAPIRQQYBIMX-SECBINFHSA-N 1 2 256.306 -1.242 20 0 CAADLO CN1CCN(C(=O)NC[C@H]2COCC[N@@H+]2C)CC1=O ZINC000624728014 372781685 /nfs/dbraw/zinc/78/16/85/372781685.db2.gz VNZZZBCJAVAIRW-JTQLQIEISA-N 1 2 270.333 -1.199 20 0 CAADLO CN1CCN(C(=O)NC[C@H]2COCC[N@H+]2C)CC1=O ZINC000624728014 372781694 /nfs/dbraw/zinc/78/16/94/372781694.db2.gz VNZZZBCJAVAIRW-JTQLQIEISA-N 1 2 270.333 -1.199 20 0 CAADLO COC[C@H](O)CNC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000624729841 372783126 /nfs/dbraw/zinc/78/31/26/372783126.db2.gz FCHDHOKCAUEQGK-VHSXEESVSA-N 1 2 261.322 -1.377 20 0 CAADLO COC[C@H](O)CNC(=O)NC[C@H]1COCC[N@H+]1C ZINC000624729841 372783129 /nfs/dbraw/zinc/78/31/29/372783129.db2.gz FCHDHOKCAUEQGK-VHSXEESVSA-N 1 2 261.322 -1.377 20 0 CAADLO CC(C)(C(=O)NC[C@H](O)Cn1ccnn1)[NH+]1CCOCC1 ZINC000622695135 372784931 /nfs/dbraw/zinc/78/49/31/372784931.db2.gz AWHCNOVNGSQMIR-NSHDSACASA-N 1 2 297.359 -1.134 20 0 CAADLO C[C@@H](CNC(=O)NC[C@@H]1COCC[N@@H+]1C)S(N)(=O)=O ZINC000624738772 372785452 /nfs/dbraw/zinc/78/54/52/372785452.db2.gz OONJKTKCIAMBRB-DTWKUNHWSA-N 1 2 294.377 -1.707 20 0 CAADLO C[C@@H](CNC(=O)NC[C@@H]1COCC[N@H+]1C)S(N)(=O)=O ZINC000624738772 372785456 /nfs/dbraw/zinc/78/54/56/372785456.db2.gz OONJKTKCIAMBRB-DTWKUNHWSA-N 1 2 294.377 -1.707 20 0 CAADLO Cn1cc(CC[NH+]2CCN(S(C)(=O)=O)CC2)nn1 ZINC000625041886 372786751 /nfs/dbraw/zinc/78/67/51/372786751.db2.gz BXXKBEZKPOKWMB-UHFFFAOYSA-N 1 2 273.362 -1.065 20 0 CAADLO CS(=O)(=O)NCCNC(=O)NCC[NH+]1CCOCC1 ZINC000047618149 372824310 /nfs/dbraw/zinc/82/43/10/372824310.db2.gz KHJHZDFUCGPPJI-UHFFFAOYSA-N 1 2 294.377 -1.833 20 0 CAADLO CNS(=O)(=O)[C@@H]1CC[N@@H+]([C@@H]2CC(=O)N(C)C2=O)C1 ZINC000533534529 372798440 /nfs/dbraw/zinc/79/84/40/372798440.db2.gz RMAKEXSEWFWYPX-HTQZYQBOSA-N 1 2 275.330 -1.633 20 0 CAADLO CNS(=O)(=O)[C@@H]1CC[N@H+]([C@@H]2CC(=O)N(C)C2=O)C1 ZINC000533534529 372798449 /nfs/dbraw/zinc/79/84/49/372798449.db2.gz RMAKEXSEWFWYPX-HTQZYQBOSA-N 1 2 275.330 -1.633 20 0 CAADLO COCCNC(=O)C1(NC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000622697882 372799780 /nfs/dbraw/zinc/79/97/80/372799780.db2.gz VOLLHSPJCMIZBM-SNVBAGLBSA-N 1 2 285.344 -1.272 20 0 CAADLO COCCNC(=O)C1(NC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000622697882 372799787 /nfs/dbraw/zinc/79/97/87/372799787.db2.gz VOLLHSPJCMIZBM-SNVBAGLBSA-N 1 2 285.344 -1.272 20 0 CAADLO CS(=O)(=O)NC1C[NH+](C[C@@H](O)Cn2cccn2)C1 ZINC000634650937 372802183 /nfs/dbraw/zinc/80/21/83/372802183.db2.gz ZPOPWQCWKBFUPW-SNVBAGLBSA-N 1 2 274.346 -1.523 20 0 CAADLO CS(=O)(=O)NC1C[NH+](C[C@@H](O)CC2(O)CCC2)C1 ZINC000634650244 372802280 /nfs/dbraw/zinc/80/22/80/372802280.db2.gz GYVMDORTWZIYAD-JTQLQIEISA-N 1 2 278.374 -1.114 20 0 CAADLO COC[C@H](C)OC[C@H](O)C[NH+]1CC(NS(C)(=O)=O)C1 ZINC000634650477 372803110 /nfs/dbraw/zinc/80/31/10/372803110.db2.gz MOFXDAZTUVLGRQ-GXSJLCMTSA-N 1 2 296.389 -1.368 20 0 CAADLO CCOC[C@@H](O)C[NH+]1CC(NS(C)(=O)=O)C1 ZINC000634650274 372803460 /nfs/dbraw/zinc/80/34/60/372803460.db2.gz HRSALWKCFWBKFQ-VIFPVBQESA-N 1 2 252.336 -1.383 20 0 CAADLO CC(=O)N1CCN(C(=O)CN2CC[NH2+]CC2=O)CC1 ZINC000236576183 372805621 /nfs/dbraw/zinc/80/56/21/372805621.db2.gz BMLPDMANLPYSQE-UHFFFAOYSA-N 1 2 268.317 -1.891 20 0 CAADLO O=S(=O)(CCC[NH+]1CCOCC1)N1C[C@H](O)[C@@H](O)C1 ZINC000625356727 372810322 /nfs/dbraw/zinc/81/03/22/372810322.db2.gz NUMSELLDABRNHL-QWRGUYRKSA-N 1 2 294.373 -1.924 20 0 CAADLO C[C@H](O)C(=O)N1CC[NH+](CCc2cn(C)nn2)CC1 ZINC000625276416 372810589 /nfs/dbraw/zinc/81/05/89/372810589.db2.gz BOGJTVJRCXQZRS-JTQLQIEISA-N 1 2 267.333 -1.117 20 0 CAADLO NC(=O)[C@@H]1CCC[C@@H](NC(=O)CN2CC[NH2+]CC2=O)C1 ZINC000237910111 372810614 /nfs/dbraw/zinc/81/06/14/372810614.db2.gz VGLVMPYFFISDKV-NXEZZACHSA-N 1 2 282.344 -1.422 20 0 CAADLO O=C(CN1CC[NH2+]CC1=O)N1CCOC2(CCOCC2)C1 ZINC000564800447 372818535 /nfs/dbraw/zinc/81/85/35/372818535.db2.gz IIAPZGPKZCOINX-UHFFFAOYSA-N 1 2 297.355 -1.174 20 0 CAADLO CNS(=O)(=O)NC[C@@]1(CO)COCC2(CCC2)[N@@H+]1C ZINC000625376912 372818759 /nfs/dbraw/zinc/81/87/59/372818759.db2.gz VFMABOWDRMJSTO-LLVKDONJSA-N 1 2 293.389 -1.344 20 0 CAADLO CNS(=O)(=O)NC[C@@]1(CO)COCC2(CCC2)[N@H+]1C ZINC000625376912 372818765 /nfs/dbraw/zinc/81/87/65/372818765.db2.gz VFMABOWDRMJSTO-LLVKDONJSA-N 1 2 293.389 -1.344 20 0 CAADLO CNS(=O)(=O)NC[C@]1(CO)COCC2(CCC2)[N@@H+]1C ZINC000625376913 372818872 /nfs/dbraw/zinc/81/88/72/372818872.db2.gz VFMABOWDRMJSTO-NSHDSACASA-N 1 2 293.389 -1.344 20 0 CAADLO CNS(=O)(=O)NC[C@]1(CO)COCC2(CCC2)[N@H+]1C ZINC000625376913 372818876 /nfs/dbraw/zinc/81/88/76/372818876.db2.gz VFMABOWDRMJSTO-NSHDSACASA-N 1 2 293.389 -1.344 20 0 CAADLO COCCOCC[NH+]1CCN(C(=O)[C@@H]2CCNC2=O)CC1 ZINC000616580151 372832291 /nfs/dbraw/zinc/83/22/91/372832291.db2.gz ZEQKHLKZAIYHAV-GFCCVEGCSA-N 1 2 299.371 -1.070 20 0 CAADLO NS(=O)(=O)N1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC000310798316 372841589 /nfs/dbraw/zinc/84/15/89/372841589.db2.gz AABYLCMTEVWQLB-UHFFFAOYSA-N 1 2 273.318 -1.769 20 0 CAADLO CC(=O)N1CC[C@H](C(=O)N[C@@H](CO)C[NH+]2CCOCC2)C1 ZINC000556804110 372842350 /nfs/dbraw/zinc/84/23/50/372842350.db2.gz IMELRHUWRVFQPG-QWHCGFSZSA-N 1 2 299.371 -1.336 20 0 CAADLO CCC(CC)(NC(=O)C1C[NH+]([C@@H]2CCNC2=O)C1)C(N)=O ZINC000556849207 372844430 /nfs/dbraw/zinc/84/44/30/372844430.db2.gz HRVAHWOHKJJJFW-SNVBAGLBSA-N 1 2 296.371 -1.033 20 0 CAADLO CNC(=O)C[N@@H+]1CCCN(C(=O)C2(C(=O)NC)CC2)CC1 ZINC000363389399 372849625 /nfs/dbraw/zinc/84/96/25/372849625.db2.gz BSHLKPYIJHQHOS-UHFFFAOYSA-N 1 2 296.371 -1.207 20 0 CAADLO CNC(=O)C[N@H+]1CCCN(C(=O)C2(C(=O)NC)CC2)CC1 ZINC000363389399 372849633 /nfs/dbraw/zinc/84/96/33/372849633.db2.gz BSHLKPYIJHQHOS-UHFFFAOYSA-N 1 2 296.371 -1.207 20 0 CAADLO COC[C@](C)(O)CNC(=O)C[N@H+](C)CC(=O)NC(C)C ZINC000557711345 372852185 /nfs/dbraw/zinc/85/21/85/372852185.db2.gz INUFCVGIHDSQHV-CYBMUJFWSA-N 1 2 289.376 -1.044 20 0 CAADLO COC[C@](C)(O)CNC(=O)C[N@@H+](C)CC(=O)NC(C)C ZINC000557711345 372852191 /nfs/dbraw/zinc/85/21/91/372852191.db2.gz INUFCVGIHDSQHV-CYBMUJFWSA-N 1 2 289.376 -1.044 20 0 CAADLO Cn1cc(O[C@@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@H]2O)cn1 ZINC000625624214 372870046 /nfs/dbraw/zinc/87/00/46/372870046.db2.gz FYWIDLZCHGKQCR-GMTAPVOTSA-N 1 2 266.301 -1.268 20 0 CAADLO Cn1cc(O[C@@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]2O)cn1 ZINC000625624214 372870060 /nfs/dbraw/zinc/87/00/60/372870060.db2.gz FYWIDLZCHGKQCR-GMTAPVOTSA-N 1 2 266.301 -1.268 20 0 CAADLO Cn1ccc(N2CCC[C@@H]([NH+]3C[C@H](O)[C@@H](O)C3)C2=O)n1 ZINC000625723289 372871269 /nfs/dbraw/zinc/87/12/69/372871269.db2.gz WJYPDNZFDFFLKU-VWYCJHECSA-N 1 2 280.328 -1.047 20 0 CAADLO C[NH+]1CCN(C(=O)C(=O)N2CCO[C@H](CC(N)=O)C2)CC1 ZINC000625779149 372872882 /nfs/dbraw/zinc/87/28/82/372872882.db2.gz MFJWKAXAVGOJDP-SNVBAGLBSA-N 1 2 298.343 -2.137 20 0 CAADLO C[C@@H](C(=O)NC(N)=O)[N@@H+]1CCCN(S(C)(=O)=O)CC1 ZINC000408135078 372878478 /nfs/dbraw/zinc/87/84/78/372878478.db2.gz WBRXBIWZTCYBAZ-QMMMGPOBSA-N 1 2 292.361 -1.463 20 0 CAADLO C[C@@H](C(=O)NC(N)=O)[N@H+]1CCCN(S(C)(=O)=O)CC1 ZINC000408135078 372878489 /nfs/dbraw/zinc/87/84/89/372878489.db2.gz WBRXBIWZTCYBAZ-QMMMGPOBSA-N 1 2 292.361 -1.463 20 0 CAADLO NS(=O)(=O)C[C@H]1CCC[N@@H+]1CC(=O)N1CCC1 ZINC000408167422 372887949 /nfs/dbraw/zinc/88/79/49/372887949.db2.gz DYVFKZNWGFELJE-SECBINFHSA-N 1 2 261.347 -1.028 20 0 CAADLO NS(=O)(=O)C[C@H]1CCC[N@H+]1CC(=O)N1CCC1 ZINC000408167422 372887951 /nfs/dbraw/zinc/88/79/51/372887951.db2.gz DYVFKZNWGFELJE-SECBINFHSA-N 1 2 261.347 -1.028 20 0 CAADLO O=C(Cn1cn[nH]c1=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000158055919 372890013 /nfs/dbraw/zinc/89/00/13/372890013.db2.gz BHOXADWEAZITNF-NSHDSACASA-N 1 2 295.343 -1.105 20 0 CAADLO C[C@@H](C(=O)N1C[C@@H]2COC[C@@H]2C1)N1CC[NH2+]CC1=O ZINC000634773739 372890452 /nfs/dbraw/zinc/89/04/52/372890452.db2.gz OYJJZPWTYYQBCL-GARJFASQSA-N 1 2 267.329 -1.089 20 0 CAADLO CC(=O)N1CCN(C(=O)C[NH+]2CCN(C(C)=O)CC2)CC1 ZINC000072862085 372895705 /nfs/dbraw/zinc/89/57/05/372895705.db2.gz IPEVXPJSNPWWLY-UHFFFAOYSA-N 1 2 296.371 -1.159 20 0 CAADLO CCN(C)S(=O)(=O)N1CCC[N@H+](CC(=O)NC)CC1 ZINC000363581997 284357036 /nfs/dbraw/zinc/35/70/36/284357036.db2.gz CRQGTJQCUZNLHU-UHFFFAOYSA-N 1 2 292.405 -1.063 20 0 CAADLO CCN(C)S(=O)(=O)N1CCC[N@@H+](CC(=O)NC)CC1 ZINC000363581997 284357039 /nfs/dbraw/zinc/35/70/39/284357039.db2.gz CRQGTJQCUZNLHU-UHFFFAOYSA-N 1 2 292.405 -1.063 20 0 CAADLO COC(=O)c1cn([C@H]2CC[N@@H+]([C@@H]3CC(=O)NC3=O)C2)nn1 ZINC000518558604 372886770 /nfs/dbraw/zinc/88/67/70/372886770.db2.gz ZWHASBUAFYWPGX-IONNQARKSA-N 1 2 293.283 -1.273 20 0 CAADLO COC(=O)c1cn([C@H]2CC[N@H+]([C@@H]3CC(=O)NC3=O)C2)nn1 ZINC000518558604 372886784 /nfs/dbraw/zinc/88/67/84/372886784.db2.gz ZWHASBUAFYWPGX-IONNQARKSA-N 1 2 293.283 -1.273 20 0 CAADLO C[C@@H](C(=O)NC1CC1)[NH+]1CCN(c2nnnn2C)CC1 ZINC000518595249 372887650 /nfs/dbraw/zinc/88/76/50/372887650.db2.gz QWFNHYCTXWJYPR-VIFPVBQESA-N 1 2 279.348 -1.001 20 0 CAADLO COC[C@H](CO)NS(=O)(=O)C[C@@H]1C[N@H+](C)CCO1 ZINC000632294460 372924367 /nfs/dbraw/zinc/92/43/67/372924367.db2.gz KBEIDQQSPFLYJM-UWVGGRQHSA-N 1 2 282.362 -1.756 20 0 CAADLO COC[C@H](CO)NS(=O)(=O)C[C@@H]1C[N@@H+](C)CCO1 ZINC000632294460 372924379 /nfs/dbraw/zinc/92/43/79/372924379.db2.gz KBEIDQQSPFLYJM-UWVGGRQHSA-N 1 2 282.362 -1.756 20 0 CAADLO COCC[N@H+](CC(=O)N1CCOCC1)[C@H](C)C(N)=O ZINC000358354596 372907162 /nfs/dbraw/zinc/90/71/62/372907162.db2.gz LXZQOOMHMQZQEE-SNVBAGLBSA-N 1 2 273.333 -1.333 20 0 CAADLO COCC[N@@H+](CC(=O)N1CCOCC1)[C@H](C)C(N)=O ZINC000358354596 372907169 /nfs/dbraw/zinc/90/71/69/372907169.db2.gz LXZQOOMHMQZQEE-SNVBAGLBSA-N 1 2 273.333 -1.333 20 0 CAADLO Cn1c(N)c(C(=O)C[N@@H+]2CC[C@H](O)C2)c(=O)n(C)c1=O ZINC000114194112 372915285 /nfs/dbraw/zinc/91/52/85/372915285.db2.gz DYFPXRQLNKZNBA-ZETCQYMHSA-N 1 2 282.300 -2.085 20 0 CAADLO Cn1c(N)c(C(=O)C[N@H+]2CC[C@H](O)C2)c(=O)n(C)c1=O ZINC000114194112 372915294 /nfs/dbraw/zinc/91/52/94/372915294.db2.gz DYFPXRQLNKZNBA-ZETCQYMHSA-N 1 2 282.300 -2.085 20 0 CAADLO CC1(C)NC(=O)N(CC[N@@H+]2CCO[C@@H](CC(N)=O)C2)C1=O ZINC000626081524 372917395 /nfs/dbraw/zinc/91/73/95/372917395.db2.gz GHSGINXQZLKUSZ-VIFPVBQESA-N 1 2 298.343 -1.107 20 0 CAADLO CC1(C)NC(=O)N(CC[N@H+]2CCO[C@@H](CC(N)=O)C2)C1=O ZINC000626081524 372917406 /nfs/dbraw/zinc/91/74/06/372917406.db2.gz GHSGINXQZLKUSZ-VIFPVBQESA-N 1 2 298.343 -1.107 20 0 CAADLO CC1(C)NC(=O)N(CC[N@@H+]2CCO[C@H](CC(N)=O)C2)C1=O ZINC000626081523 372917627 /nfs/dbraw/zinc/91/76/27/372917627.db2.gz GHSGINXQZLKUSZ-SECBINFHSA-N 1 2 298.343 -1.107 20 0 CAADLO CC1(C)NC(=O)N(CC[N@H+]2CCO[C@H](CC(N)=O)C2)C1=O ZINC000626081523 372917636 /nfs/dbraw/zinc/91/76/36/372917636.db2.gz GHSGINXQZLKUSZ-SECBINFHSA-N 1 2 298.343 -1.107 20 0 CAADLO CN(C)S(=O)(=O)CC[N@@H+]1CCO[C@H](CC(N)=O)C1 ZINC000626076805 372918858 /nfs/dbraw/zinc/91/88/58/372918858.db2.gz WIDACAGPMXPANF-SECBINFHSA-N 1 2 279.362 -1.546 20 0 CAADLO CN(C)S(=O)(=O)CC[N@H+]1CCO[C@H](CC(N)=O)C1 ZINC000626076805 372918872 /nfs/dbraw/zinc/91/88/72/372918872.db2.gz WIDACAGPMXPANF-SECBINFHSA-N 1 2 279.362 -1.546 20 0 CAADLO CCS(=O)(=O)NCCC[N@@H+]1CCO[C@@H](CC(N)=O)C1 ZINC000626077716 372919001 /nfs/dbraw/zinc/91/90/01/372919001.db2.gz POYIGLOYFGJLAN-JTQLQIEISA-N 1 2 293.389 -1.108 20 0 CAADLO CCS(=O)(=O)NCCC[N@H+]1CCO[C@@H](CC(N)=O)C1 ZINC000626077716 372919009 /nfs/dbraw/zinc/91/90/09/372919009.db2.gz POYIGLOYFGJLAN-JTQLQIEISA-N 1 2 293.389 -1.108 20 0 CAADLO CNC(=O)CCC[N@@H+]1CCOC[C@H]1CNS(C)(=O)=O ZINC000626096921 372919960 /nfs/dbraw/zinc/91/99/60/372919960.db2.gz GUULOZRTCIZBKE-SNVBAGLBSA-N 1 2 293.389 -1.237 20 0 CAADLO CNC(=O)CCC[N@H+]1CCOC[C@H]1CNS(C)(=O)=O ZINC000626096921 372919969 /nfs/dbraw/zinc/91/99/69/372919969.db2.gz GUULOZRTCIZBKE-SNVBAGLBSA-N 1 2 293.389 -1.237 20 0 CAADLO C[C@@H](CO)C[N@@H+]1CCOC[C@@H]1CNS(C)(=O)=O ZINC000626097285 372920652 /nfs/dbraw/zinc/92/06/52/372920652.db2.gz PATDQUIZPFILCN-ZJUUUORDSA-N 1 2 266.363 -1.135 20 0 CAADLO C[C@@H](CO)C[N@H+]1CCOC[C@@H]1CNS(C)(=O)=O ZINC000626097285 372920659 /nfs/dbraw/zinc/92/06/59/372920659.db2.gz PATDQUIZPFILCN-ZJUUUORDSA-N 1 2 266.363 -1.135 20 0 CAADLO C[C@H](CO)C[N@@H+]1CCOC[C@@H]1CNS(C)(=O)=O ZINC000626097283 372920833 /nfs/dbraw/zinc/92/08/33/372920833.db2.gz PATDQUIZPFILCN-UWVGGRQHSA-N 1 2 266.363 -1.135 20 0 CAADLO C[C@H](CO)C[N@H+]1CCOC[C@@H]1CNS(C)(=O)=O ZINC000626097283 372920841 /nfs/dbraw/zinc/92/08/41/372920841.db2.gz PATDQUIZPFILCN-UWVGGRQHSA-N 1 2 266.363 -1.135 20 0 CAADLO CN(C)C(=O)N1CC[NH+](CCCS(N)(=O)=O)CC1 ZINC000075639191 372922540 /nfs/dbraw/zinc/92/25/40/372922540.db2.gz KYUMPLAYATZTRI-UHFFFAOYSA-N 1 2 278.378 -1.036 20 0 CAADLO COCC[N@@H+]1CC[C@@H](NC(=O)C2CS(=O)(=O)C2)C1 ZINC000631146865 372927520 /nfs/dbraw/zinc/92/75/20/372927520.db2.gz LXNHIXIPGOUFHD-SNVBAGLBSA-N 1 2 276.358 -1.132 20 0 CAADLO COCC[N@H+]1CC[C@@H](NC(=O)C2CS(=O)(=O)C2)C1 ZINC000631146865 372927527 /nfs/dbraw/zinc/92/75/27/372927527.db2.gz LXNHIXIPGOUFHD-SNVBAGLBSA-N 1 2 276.358 -1.132 20 0 CAADLO O=C(CCCc1nn[nH]n1)NCC[NH+]1CCOCC1 ZINC000635071913 372936653 /nfs/dbraw/zinc/93/66/53/372936653.db2.gz CJOVMNRTYVWFIW-UHFFFAOYSA-N 1 2 268.321 -1.029 20 0 CAADLO COC(=O)COCC(=O)NCC[NH+]1CCOCC1 ZINC000562178259 372941207 /nfs/dbraw/zinc/94/12/07/372941207.db2.gz SOILBAWGPXWQHM-UHFFFAOYSA-N 1 2 260.290 -1.376 20 0 CAADLO C[C@H](NS(C)(=O)=O)C(=O)NCC[NH+]1CCOCC1 ZINC000141273446 372954098 /nfs/dbraw/zinc/95/40/98/372954098.db2.gz PVYQZTZVECSMLZ-VIFPVBQESA-N 1 2 279.362 -1.628 20 0 CAADLO NC(=O)C(=O)N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC000635556750 372953757 /nfs/dbraw/zinc/95/37/57/372953757.db2.gz RMRFEZFFISZNOL-UHFFFAOYSA-N 1 2 282.344 -1.372 20 0 CAADLO CC(C)(C)[N@H+](CC(N)=O)CC(=O)N1CCNC(=O)C1 ZINC000133935838 372946360 /nfs/dbraw/zinc/94/63/60/372946360.db2.gz XQZMXRWTDJPUOG-UHFFFAOYSA-N 1 2 270.333 -1.469 20 0 CAADLO CC(C)(C)[N@@H+](CC(N)=O)CC(=O)N1CCNC(=O)C1 ZINC000133935838 372946376 /nfs/dbraw/zinc/94/63/76/372946376.db2.gz XQZMXRWTDJPUOG-UHFFFAOYSA-N 1 2 270.333 -1.469 20 0 CAADLO NC(=O)C(=O)N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC000635556750 372953761 /nfs/dbraw/zinc/95/37/61/372953761.db2.gz RMRFEZFFISZNOL-UHFFFAOYSA-N 1 2 282.344 -1.372 20 0 CAADLO COC[C@@]1(C(N)=O)CCC[N@@H+]1CC(=O)N1CCOCC1 ZINC000643826337 372948970 /nfs/dbraw/zinc/94/89/70/372948970.db2.gz KOUAFBFPCLQMRO-CYBMUJFWSA-N 1 2 285.344 -1.189 20 0 CAADLO COC[C@@]1(C(N)=O)CCC[N@H+]1CC(=O)N1CCOCC1 ZINC000643826337 372948976 /nfs/dbraw/zinc/94/89/76/372948976.db2.gz KOUAFBFPCLQMRO-CYBMUJFWSA-N 1 2 285.344 -1.189 20 0 CAADLO COC[C@]1(C(N)=O)CCC[N@@H+]1CCNS(C)(=O)=O ZINC000643823822 372949048 /nfs/dbraw/zinc/94/90/48/372949048.db2.gz ARXLULMUPUOFLJ-JTQLQIEISA-N 1 2 279.362 -1.498 20 0 CAADLO COC[C@]1(C(N)=O)CCC[N@H+]1CCNS(C)(=O)=O ZINC000643823822 372949057 /nfs/dbraw/zinc/94/90/57/372949057.db2.gz ARXLULMUPUOFLJ-JTQLQIEISA-N 1 2 279.362 -1.498 20 0 CAADLO CNC(=O)[C@@]1(COC)CCC[N@@H+]1CC(=O)N1CCNC1=O ZINC000643825968 372949361 /nfs/dbraw/zinc/94/93/61/372949361.db2.gz CDPDNJZMMZOECC-ZDUSSCGKSA-N 1 2 298.343 -1.235 20 0 CAADLO CNC(=O)[C@@]1(COC)CCC[N@H+]1CC(=O)N1CCNC1=O ZINC000643825968 372949367 /nfs/dbraw/zinc/94/93/67/372949367.db2.gz CDPDNJZMMZOECC-ZDUSSCGKSA-N 1 2 298.343 -1.235 20 0 CAADLO NC(=O)C[NH+]1CCN(c2ccc(C(N)=O)cn2)CC1 ZINC000643836862 372950945 /nfs/dbraw/zinc/95/09/45/372950945.db2.gz NZZLPXQBZHZUGO-UHFFFAOYSA-N 1 2 263.301 -1.212 20 0 CAADLO Cc1nc[nH]c1C(=O)NCC(=O)NCC[NH+]1CCOCC1 ZINC000635549314 372951528 /nfs/dbraw/zinc/95/15/28/372951528.db2.gz HYGGLKVHRDSLMN-UHFFFAOYSA-N 1 2 295.343 -1.104 20 0 CAADLO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)CS(C)(=O)=O ZINC000618304862 372960129 /nfs/dbraw/zinc/96/01/29/372960129.db2.gz AJYLKBHHYMIWHB-UHFFFAOYSA-N 1 2 293.389 -1.491 20 0 CAADLO C[C@H](O)CN(CCO)S(=O)(=O)C[C@H]1C[N@H+](C)CCO1 ZINC000632342551 372961536 /nfs/dbraw/zinc/96/15/36/372961536.db2.gz PFYHLDKMKIIBKT-WDEREUQCSA-N 1 2 296.389 -1.678 20 0 CAADLO C[C@H](O)CN(CCO)S(=O)(=O)C[C@H]1C[N@@H+](C)CCO1 ZINC000632342551 372961542 /nfs/dbraw/zinc/96/15/42/372961542.db2.gz PFYHLDKMKIIBKT-WDEREUQCSA-N 1 2 296.389 -1.678 20 0 CAADLO NC(=O)C(=O)N1CC[C@H](OCC[NH+]2CCOCC2)C1 ZINC000635685760 372964800 /nfs/dbraw/zinc/96/48/00/372964800.db2.gz QAARBMTXZDZSTO-JTQLQIEISA-N 1 2 271.317 -1.579 20 0 CAADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)CN1CC(=O)NC1=O ZINC000600999998 372964868 /nfs/dbraw/zinc/96/48/68/372964868.db2.gz OJIUPDCHYQKZTO-SECBINFHSA-N 1 2 284.316 -1.625 20 0 CAADLO C[C@@H]1COCC[N@H+]1CCNC(=O)CN1CC(=O)NC1=O ZINC000600999998 372964874 /nfs/dbraw/zinc/96/48/74/372964874.db2.gz OJIUPDCHYQKZTO-SECBINFHSA-N 1 2 284.316 -1.625 20 0 CAADLO CN1CC[C@@](C)(C(=O)N[C@H](CO)C[NH+]2CCOCC2)C1=O ZINC000635893243 372973835 /nfs/dbraw/zinc/97/38/35/372973835.db2.gz OAFHTWTUVSNYLG-FZMZJTMJSA-N 1 2 299.371 -1.336 20 0 CAADLO C[C@]1(C(=O)N[C@H](CO)C[NH+]2CCOCC2)CCNC1=O ZINC000635892743 372973998 /nfs/dbraw/zinc/97/39/98/372973998.db2.gz BCLXEPUDRRPWPJ-GWCFXTLKSA-N 1 2 285.344 -1.678 20 0 CAADLO CN1CC[C@@](C)(C(=O)N[C@@H](CO)C[NH+]2CCOCC2)C1=O ZINC000635893244 372975093 /nfs/dbraw/zinc/97/50/93/372975093.db2.gz OAFHTWTUVSNYLG-RISCZKNCSA-N 1 2 299.371 -1.336 20 0 CAADLO Cn1cnc(C(=O)N[C@@H](CO)C[NH+]2CCOCC2)cc1=O ZINC000635893933 372975108 /nfs/dbraw/zinc/97/51/08/372975108.db2.gz WNKXEUFOWSBNBQ-SNVBAGLBSA-N 1 2 296.327 -1.797 20 0 CAADLO C[NH+](C)C[C@@H](CO)NC(=O)C[C@@H]1CCCS1(=O)=O ZINC000635928514 372976300 /nfs/dbraw/zinc/97/63/00/372976300.db2.gz IBMJTXXELQRFCG-UWVGGRQHSA-N 1 2 278.374 -1.008 20 0 CAADLO C[NH+](C)C[C@@H](CO)NC(=O)C[C@H]1CCCS1(=O)=O ZINC000635928515 372977612 /nfs/dbraw/zinc/97/76/12/372977612.db2.gz IBMJTXXELQRFCG-VHSXEESVSA-N 1 2 278.374 -1.008 20 0 CAADLO Cn1cc(C[N@@H+]2CCN(C3CC3)C(=O)C2)c(=O)n(C)c1=O ZINC000093444801 372955123 /nfs/dbraw/zinc/95/51/23/372955123.db2.gz NZCGLJUFDJMQJW-UHFFFAOYSA-N 1 2 292.339 -1.109 20 0 CAADLO Cn1cc(C[N@H+]2CCN(C3CC3)C(=O)C2)c(=O)n(C)c1=O ZINC000093444801 372955126 /nfs/dbraw/zinc/95/51/26/372955126.db2.gz NZCGLJUFDJMQJW-UHFFFAOYSA-N 1 2 292.339 -1.109 20 0 CAADLO COC(=O)C[C@H]1C(=O)NCC[N@H+]1CCCNC(C)=O ZINC000142749185 372955160 /nfs/dbraw/zinc/95/51/60/372955160.db2.gz XYUGMEKFCASZMJ-JTQLQIEISA-N 1 2 271.317 -1.124 20 0 CAADLO COC(=O)C[C@H]1C(=O)NCC[N@@H+]1CCCNC(C)=O ZINC000142749185 372955165 /nfs/dbraw/zinc/95/51/65/372955165.db2.gz XYUGMEKFCASZMJ-JTQLQIEISA-N 1 2 271.317 -1.124 20 0 CAADLO CN(CCO)S(=O)(=O)CCC[NH+]1CCOCC1 ZINC000144917247 372955279 /nfs/dbraw/zinc/95/52/79/372955279.db2.gz ZEAWHDSWOGJCMU-UHFFFAOYSA-N 1 2 266.363 -1.037 20 0 CAADLO C[C@@H]1C[N@H+](CCNC(=O)CN2CC(=O)NC2=O)CCO1 ZINC000600982670 372955305 /nfs/dbraw/zinc/95/53/05/372955305.db2.gz AUQXBISZEPCHEX-SECBINFHSA-N 1 2 284.316 -1.625 20 0 CAADLO C[C@@H]1C[N@@H+](CCNC(=O)CN2CC(=O)NC2=O)CCO1 ZINC000600982670 372955310 /nfs/dbraw/zinc/95/53/10/372955310.db2.gz AUQXBISZEPCHEX-SECBINFHSA-N 1 2 284.316 -1.625 20 0 CAADLO CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)[C@@H](C)[NH+](C)C ZINC000636177668 372997104 /nfs/dbraw/zinc/99/71/04/372997104.db2.gz RCSUJNYCKIBJNN-IWSPIJDZSA-N 1 2 264.347 -1.135 20 0 CAADLO CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)[C@@H](C)[NH+](C)C ZINC000636177667 372997369 /nfs/dbraw/zinc/99/73/69/372997369.db2.gz RCSUJNYCKIBJNN-HRDYMLBCSA-N 1 2 264.347 -1.135 20 0 CAADLO CC(C)C[C@H]1C(=O)NCCN1C(=O)CN1CC[NH2+]CC1=O ZINC000570567497 372998250 /nfs/dbraw/zinc/99/82/50/372998250.db2.gz CEOZMXOSCPDLID-NSHDSACASA-N 1 2 296.371 -1.209 20 0 CAADLO COC(=O)C[C@H](C)NC(=O)CN1CC[NH2+]CC1=O ZINC000570797020 373002105 /nfs/dbraw/zinc/00/21/05/373002105.db2.gz MHPIADQGDZNPFE-QMMMGPOBSA-N 1 2 257.290 -1.514 20 0 CAADLO Cn1ccc(C[NH2+][C@H]2CC(=O)N(CCOCCO)C2=O)n1 ZINC000570859758 373004676 /nfs/dbraw/zinc/00/46/76/373004676.db2.gz GKLXIPRYNJNZLJ-NSHDSACASA-N 1 2 296.327 -1.354 20 0 CAADLO C[N@@H+]1CCO[C@@H](CNC(=O)NC[C@@]2(O)CCOC2)C1 ZINC000332747810 373007257 /nfs/dbraw/zinc/00/72/57/373007257.db2.gz TYEXUXGGLHLYGQ-JQWIXIFHSA-N 1 2 273.333 -1.232 20 0 CAADLO C[N@H+]1CCO[C@@H](CNC(=O)NC[C@@]2(O)CCOC2)C1 ZINC000332747810 373007262 /nfs/dbraw/zinc/00/72/62/373007262.db2.gz TYEXUXGGLHLYGQ-JQWIXIFHSA-N 1 2 273.333 -1.232 20 0 CAADLO C[C@@H](C(=O)NC1CC1)[N@@H+]1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000332757539 373007916 /nfs/dbraw/zinc/00/79/16/373007916.db2.gz PWUODSOTYXBLSI-IONNQARKSA-N 1 2 266.301 -1.111 20 0 CAADLO C[C@@H](C(=O)NC1CC1)[N@H+]1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000332757539 373007927 /nfs/dbraw/zinc/00/79/27/373007927.db2.gz PWUODSOTYXBLSI-IONNQARKSA-N 1 2 266.301 -1.111 20 0 CAADLO C[C@@H](C(=O)NC1CC1)[N@@H+]1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000332757538 373008247 /nfs/dbraw/zinc/00/82/47/373008247.db2.gz PWUODSOTYXBLSI-CBAPKCEASA-N 1 2 266.301 -1.111 20 0 CAADLO C[C@@H](C(=O)NC1CC1)[N@H+]1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000332757538 373008255 /nfs/dbraw/zinc/00/82/55/373008255.db2.gz PWUODSOTYXBLSI-CBAPKCEASA-N 1 2 266.301 -1.111 20 0 CAADLO O=C(NC[C@H]1C[NH+]2CCN1CC2)[C@@H]1CCc2nncn2C1 ZINC000332769785 373008599 /nfs/dbraw/zinc/00/85/99/373008599.db2.gz LUSQWRWHQRAQDG-NEPJUHHUSA-N 1 2 290.371 -1.044 20 0 CAADLO C[NH+](C)[C@H]1CN(S(=O)(=O)c2ncc[nH]2)C[C@@H]1O ZINC000632350027 372983470 /nfs/dbraw/zinc/98/34/70/372983470.db2.gz SKOLOUXFKROVAY-YUMQZZPRSA-N 1 2 260.319 -1.295 20 0 CAADLO O=C(C[NH+]1C[C@H](O)[C@@H](O)C1)NC(=O)NC1CCCC1 ZINC000236579424 372985876 /nfs/dbraw/zinc/98/58/76/372985876.db2.gz JDHDCXATJMJZND-UWVGGRQHSA-N 1 2 271.317 -1.208 20 0 CAADLO C[N@H+](CC(=O)Nc1nc(C2CC2)no1)[C@@H]1COC[C@H]1O ZINC000570066182 372988681 /nfs/dbraw/zinc/98/86/81/372988681.db2.gz YAFBKIDQUSBIID-RKDXNWHRSA-N 1 2 282.300 -1.001 20 0 CAADLO C[N@@H+](CC(=O)Nc1nc(C2CC2)no1)[C@@H]1COC[C@H]1O ZINC000570066182 372988686 /nfs/dbraw/zinc/98/86/86/372988686.db2.gz YAFBKIDQUSBIID-RKDXNWHRSA-N 1 2 282.300 -1.001 20 0 CAADLO COC(=O)[C@H](C)CS(=O)(=O)N1CC[N@H+](C)C[C@H]1CO ZINC000601468358 373039836 /nfs/dbraw/zinc/03/98/36/373039836.db2.gz BRIIBKMINOHTKG-ZJUUUORDSA-N 1 2 294.373 -1.266 20 0 CAADLO COC(=O)[C@H](C)CS(=O)(=O)N1CC[N@@H+](C)C[C@H]1CO ZINC000601468358 373039843 /nfs/dbraw/zinc/03/98/43/373039843.db2.gz BRIIBKMINOHTKG-ZJUUUORDSA-N 1 2 294.373 -1.266 20 0 CAADLO COC(=O)CNS(=O)(=O)C[C@H]1C[N@H+](C)CCO1 ZINC000601300426 373032397 /nfs/dbraw/zinc/03/23/97/373032397.db2.gz YCWKHRCALABDIJ-MRVPVSSYSA-N 1 2 266.319 -1.591 20 0 CAADLO COC(=O)CNS(=O)(=O)C[C@H]1C[N@@H+](C)CCO1 ZINC000601300426 373032403 /nfs/dbraw/zinc/03/24/03/373032403.db2.gz YCWKHRCALABDIJ-MRVPVSSYSA-N 1 2 266.319 -1.591 20 0 CAADLO CCS(=O)(=O)NCC[N@@H+]1CCC[C@H](S(N)(=O)=O)C1 ZINC000364111073 373035355 /nfs/dbraw/zinc/03/53/55/373035355.db2.gz STMCSYPTELEJRI-VIFPVBQESA-N 1 2 299.418 -1.321 20 0 CAADLO CCS(=O)(=O)NCC[N@H+]1CCC[C@H](S(N)(=O)=O)C1 ZINC000364111073 373035362 /nfs/dbraw/zinc/03/53/62/373035362.db2.gz STMCSYPTELEJRI-VIFPVBQESA-N 1 2 299.418 -1.321 20 0 CAADLO COC(=O)CCCS(=O)(=O)N1CC[N@H+](C)C[C@H]1CO ZINC000601468622 373040033 /nfs/dbraw/zinc/04/00/33/373040033.db2.gz DVHPVBJCOWQERR-JTQLQIEISA-N 1 2 294.373 -1.122 20 0 CAADLO COC(=O)CCCS(=O)(=O)N1CC[N@@H+](C)C[C@H]1CO ZINC000601468622 373040041 /nfs/dbraw/zinc/04/00/41/373040041.db2.gz DVHPVBJCOWQERR-JTQLQIEISA-N 1 2 294.373 -1.122 20 0 CAADLO CN1CCOC[C@@H]1CNC(=O)C(=O)NCCn1cc[nH+]c1 ZINC000636467555 373012520 /nfs/dbraw/zinc/01/25/20/373012520.db2.gz NAMZIMIALVOWMH-NSHDSACASA-N 1 2 295.343 -1.554 20 0 CAADLO O=C(NCCn1cncn1)NCC[NH+]1CCOCC1 ZINC000588265045 373015050 /nfs/dbraw/zinc/01/50/50/373015050.db2.gz QRYVCRAASFEAFJ-UHFFFAOYSA-N 1 2 268.321 -1.091 20 0 CAADLO CNC(=O)CCNC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000636610088 373052411 /nfs/dbraw/zinc/05/24/11/373052411.db2.gz KNZCQLXKMDYMIM-SECBINFHSA-N 1 2 258.322 -1.248 20 0 CAADLO CNC(=O)CCNC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000636610088 373052414 /nfs/dbraw/zinc/05/24/14/373052414.db2.gz KNZCQLXKMDYMIM-SECBINFHSA-N 1 2 258.322 -1.248 20 0 CAADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)N1CCNC(=O)C1 ZINC000591599609 373054431 /nfs/dbraw/zinc/05/44/31/373054431.db2.gz FZZHVCDBFRTJSF-SNVBAGLBSA-N 1 2 270.333 -1.152 20 0 CAADLO C[C@@H]1COCC[N@H+]1CCNC(=O)N1CCNC(=O)C1 ZINC000591599609 373054439 /nfs/dbraw/zinc/05/44/39/373054439.db2.gz FZZHVCDBFRTJSF-SNVBAGLBSA-N 1 2 270.333 -1.152 20 0 CAADLO COC(=O)C1CCN(C(=O)CN2CC[NH2+]CC2=O)CC1 ZINC000591914673 373062496 /nfs/dbraw/zinc/06/24/96/373062496.db2.gz BMDQAHAMORAPSJ-UHFFFAOYSA-N 1 2 283.328 -1.170 20 0 CAADLO COC(=O)CNC(=O)C[N@@H+]1C[C@H](O)C[C@H](C(=O)OC)C1 ZINC000592196123 373063842 /nfs/dbraw/zinc/06/38/42/373063842.db2.gz AFDRIXNVMVQGTG-DTWKUNHWSA-N 1 2 288.300 -1.869 20 0 CAADLO COC(=O)CNC(=O)C[N@H+]1C[C@H](O)C[C@H](C(=O)OC)C1 ZINC000592196123 373063843 /nfs/dbraw/zinc/06/38/43/373063843.db2.gz AFDRIXNVMVQGTG-DTWKUNHWSA-N 1 2 288.300 -1.869 20 0 CAADLO COC(=O)CNC(=O)C[N@H+]1C[C@H](C(=O)OC)C[C@H](O)C1 ZINC000592196122 373063923 /nfs/dbraw/zinc/06/39/23/373063923.db2.gz AFDRIXNVMVQGTG-BDAKNGLRSA-N 1 2 288.300 -1.869 20 0 CAADLO COC(=O)CNC(=O)C[N@@H+]1C[C@H](C(=O)OC)C[C@H](O)C1 ZINC000592196122 373063925 /nfs/dbraw/zinc/06/39/25/373063925.db2.gz AFDRIXNVMVQGTG-BDAKNGLRSA-N 1 2 288.300 -1.869 20 0 CAADLO COC(=O)CNC(=O)C[N@@H+]1C[C@H](O)C[C@@H](C(=O)OC)C1 ZINC000592196125 373064838 /nfs/dbraw/zinc/06/48/38/373064838.db2.gz AFDRIXNVMVQGTG-RKDXNWHRSA-N 1 2 288.300 -1.869 20 0 CAADLO COC(=O)CNC(=O)C[N@H+]1C[C@H](O)C[C@@H](C(=O)OC)C1 ZINC000592196125 373064845 /nfs/dbraw/zinc/06/48/45/373064845.db2.gz AFDRIXNVMVQGTG-RKDXNWHRSA-N 1 2 288.300 -1.869 20 0 CAADLO CCOCCNC(=O)C[N@H+]1C[C@H](C(=O)OC)C[C@H](O)C1 ZINC000592200494 373066209 /nfs/dbraw/zinc/06/62/09/373066209.db2.gz SITLTKSPKWXDAD-MNOVXSKESA-N 1 2 288.344 -1.005 20 0 CAADLO CCOCCNC(=O)C[N@@H+]1C[C@H](C(=O)OC)C[C@H](O)C1 ZINC000592200494 373066211 /nfs/dbraw/zinc/06/62/11/373066211.db2.gz SITLTKSPKWXDAD-MNOVXSKESA-N 1 2 288.344 -1.005 20 0 CAADLO COC(=O)[C@@H]1C[C@H](O)C[N@H+](CC(=O)NC(=O)NC2CC2)C1 ZINC000592204962 373066524 /nfs/dbraw/zinc/06/65/24/373066524.db2.gz BRGCEORUTGIJCN-SCZZXKLOSA-N 1 2 299.327 -1.170 20 0 CAADLO COC(=O)[C@@H]1C[C@H](O)C[N@@H+](CC(=O)NC(=O)NC2CC2)C1 ZINC000592204962 373066529 /nfs/dbraw/zinc/06/65/29/373066529.db2.gz BRGCEORUTGIJCN-SCZZXKLOSA-N 1 2 299.327 -1.170 20 0 CAADLO COC(=O)[C@H]1C[C@H](O)C[N@H+](CC(=O)NC(N)=O)C1 ZINC000592210079 373066747 /nfs/dbraw/zinc/06/67/47/373066747.db2.gz UUXYXVUYJXOSGH-BQBZGAKWSA-N 1 2 259.262 -1.963 20 0 CAADLO COC(=O)[C@H]1C[C@H](O)C[N@@H+](CC(=O)NC(N)=O)C1 ZINC000592210079 373066752 /nfs/dbraw/zinc/06/67/52/373066752.db2.gz UUXYXVUYJXOSGH-BQBZGAKWSA-N 1 2 259.262 -1.963 20 0 CAADLO CCOCCNC(=O)C[N@@H+]1C[C@H](O)C[C@H](C(=O)OC)C1 ZINC000592200496 373067112 /nfs/dbraw/zinc/06/71/12/373067112.db2.gz SITLTKSPKWXDAD-WDEREUQCSA-N 1 2 288.344 -1.005 20 0 CAADLO CCOCCNC(=O)C[N@H+]1C[C@H](O)C[C@H](C(=O)OC)C1 ZINC000592200496 373067121 /nfs/dbraw/zinc/06/71/21/373067121.db2.gz SITLTKSPKWXDAD-WDEREUQCSA-N 1 2 288.344 -1.005 20 0 CAADLO COC(=O)[C@H]1C[C@@H](O)C[N@H+](CC(=O)NC(=O)NC2CC2)C1 ZINC000592204963 373067362 /nfs/dbraw/zinc/06/73/62/373067362.db2.gz BRGCEORUTGIJCN-WCBMZHEXSA-N 1 2 299.327 -1.170 20 0 CAADLO COC(=O)[C@H]1C[C@@H](O)C[N@@H+](CC(=O)NC(=O)NC2CC2)C1 ZINC000592204963 373067372 /nfs/dbraw/zinc/06/73/72/373067372.db2.gz BRGCEORUTGIJCN-WCBMZHEXSA-N 1 2 299.327 -1.170 20 0 CAADLO CCOCCNC(=O)C[N@@H+]1C[C@@H](O)C[C@H](C(=O)OC)C1 ZINC000592200495 373067486 /nfs/dbraw/zinc/06/74/86/373067486.db2.gz SITLTKSPKWXDAD-QWRGUYRKSA-N 1 2 288.344 -1.005 20 0 CAADLO CCOCCNC(=O)C[N@H+]1C[C@@H](O)C[C@H](C(=O)OC)C1 ZINC000592200495 373067498 /nfs/dbraw/zinc/06/74/98/373067498.db2.gz SITLTKSPKWXDAD-QWRGUYRKSA-N 1 2 288.344 -1.005 20 0 CAADLO COC(=O)[C@@H]1C[C@@H](O)C[N@H+](CC(=O)NC(N)=O)C1 ZINC000592210081 373068069 /nfs/dbraw/zinc/06/80/69/373068069.db2.gz UUXYXVUYJXOSGH-RNFRBKRXSA-N 1 2 259.262 -1.963 20 0 CAADLO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+](CC(=O)NC(N)=O)C1 ZINC000592210081 373068076 /nfs/dbraw/zinc/06/80/76/373068076.db2.gz UUXYXVUYJXOSGH-RNFRBKRXSA-N 1 2 259.262 -1.963 20 0 CAADLO COC(=O)[C@H]1C[C@H](O)C[N@H+](CC(=O)N2CCNC(=O)C2)C1 ZINC000592209097 373068304 /nfs/dbraw/zinc/06/83/04/373068304.db2.gz QYALETSCNWBPRK-UWVGGRQHSA-N 1 2 299.327 -2.199 20 0 CAADLO COC(=O)[C@H]1C[C@H](O)C[N@@H+](CC(=O)N2CCNC(=O)C2)C1 ZINC000592209097 373068313 /nfs/dbraw/zinc/06/83/13/373068313.db2.gz QYALETSCNWBPRK-UWVGGRQHSA-N 1 2 299.327 -2.199 20 0 CAADLO CCOC(=O)CCS(=O)(=O)N1CC[N@H+](C)C[C@H]1CO ZINC000601469449 373042003 /nfs/dbraw/zinc/04/20/03/373042003.db2.gz QPFDJOHUYDBSBK-JTQLQIEISA-N 1 2 294.373 -1.122 20 0 CAADLO CCOC(=O)CCS(=O)(=O)N1CC[N@@H+](C)C[C@H]1CO ZINC000601469449 373042010 /nfs/dbraw/zinc/04/20/10/373042010.db2.gz QPFDJOHUYDBSBK-JTQLQIEISA-N 1 2 294.373 -1.122 20 0 CAADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)N[C@@H]1COC[C@@H]1O ZINC000636558699 373043505 /nfs/dbraw/zinc/04/35/05/373043505.db2.gz ZUNPLFYPVVOTLV-AXFHLTTASA-N 1 2 273.333 -1.234 20 0 CAADLO CN(Cc1c[nH+]c[nH]1)C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC000616929082 373047828 /nfs/dbraw/zinc/04/78/28/373047828.db2.gz SNBJIKADIWJLSC-ZETCQYMHSA-N 1 2 251.246 -1.034 20 0 CAADLO CN(Cc1c[nH]c[nH+]1)C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC000616929082 373047838 /nfs/dbraw/zinc/04/78/38/373047838.db2.gz SNBJIKADIWJLSC-ZETCQYMHSA-N 1 2 251.246 -1.034 20 0 CAADLO CCS(=O)(=O)NCCC[NH2+][C@](C)(CO)C(=O)OC ZINC000595531964 373116667 /nfs/dbraw/zinc/11/66/67/373116667.db2.gz NEUAFULGESLSCC-SNVBAGLBSA-N 1 2 282.362 -1.171 20 0 CAADLO CCS(=O)(=O)NCCC[NH2+][C@@](C)(CO)C(=O)OC ZINC000595531963 373116709 /nfs/dbraw/zinc/11/67/09/373116709.db2.gz NEUAFULGESLSCC-JTQLQIEISA-N 1 2 282.362 -1.171 20 0 CAADLO COC(=O)[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@H](C)O1 ZINC000593080159 373087733 /nfs/dbraw/zinc/08/77/33/373087733.db2.gz IAGXGFNDYLUYKU-IUCAKERBSA-N 1 2 285.300 -1.200 20 0 CAADLO COC(=O)[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@H](C)O1 ZINC000593080159 373087736 /nfs/dbraw/zinc/08/77/36/373087736.db2.gz IAGXGFNDYLUYKU-IUCAKERBSA-N 1 2 285.300 -1.200 20 0 CAADLO COC(=O)[C@@H]1CN(C(=O)CN2CC[NH2+]CC2=O)C[C@H](C)O1 ZINC000593917781 373096801 /nfs/dbraw/zinc/09/68/01/373096801.db2.gz KTZROGVLBJKZKI-UWVGGRQHSA-N 1 2 299.327 -1.793 20 0 CAADLO COC(=O)CNC(=O)CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000594350230 373100351 /nfs/dbraw/zinc/10/03/51/373100351.db2.gz SKFKMAYXBGJPOU-SECBINFHSA-N 1 2 294.311 -1.149 20 0 CAADLO COC(=O)[C@](C)(CCF)NC(=O)CN1CC[NH2+]CC1=O ZINC000595257421 373108987 /nfs/dbraw/zinc/10/89/87/373108987.db2.gz KWRLLHSKVAMNOQ-LBPRGKRZSA-N 1 2 289.307 -1.174 20 0 CAADLO COC(=O)CCN1CC[C@H]([N@H+](C)[C@H]2CCNC2=O)C1=O ZINC000595395237 373112160 /nfs/dbraw/zinc/11/21/60/373112160.db2.gz LHVKBNPZDIABEO-UWVGGRQHSA-N 1 2 283.328 -1.029 20 0 CAADLO COC(=O)CCN1CC[C@H]([N@@H+](C)[C@H]2CCNC2=O)C1=O ZINC000595395237 373112169 /nfs/dbraw/zinc/11/21/69/373112169.db2.gz LHVKBNPZDIABEO-UWVGGRQHSA-N 1 2 283.328 -1.029 20 0 CAADLO COC(=O)C[N@H+](CCN1CCOCC1)C[C@H]1CNC(=O)C1 ZINC000595319523 373112463 /nfs/dbraw/zinc/11/24/63/373112463.db2.gz RFFLYNGLWQSHFF-GFCCVEGCSA-N 1 2 299.371 -1.070 20 0 CAADLO COC(=O)C[N@@H+](CCN1CCOCC1)C[C@H]1CNC(=O)C1 ZINC000595319523 373112472 /nfs/dbraw/zinc/11/24/72/373112472.db2.gz RFFLYNGLWQSHFF-GFCCVEGCSA-N 1 2 299.371 -1.070 20 0 CAADLO COC(=O)CN(CC[NH+]1CCOCC1)C[C@H]1CNC(=O)C1 ZINC000595319523 373112476 /nfs/dbraw/zinc/11/24/76/373112476.db2.gz RFFLYNGLWQSHFF-GFCCVEGCSA-N 1 2 299.371 -1.070 20 0 CAADLO COC(=O)CC[C@@H](C(=O)OC)[N@H+]1C[C@H](O)C[C@H](O)C1 ZINC000595338020 373112555 /nfs/dbraw/zinc/11/25/55/373112555.db2.gz OLVWLBRRZKZORM-AEJSXWLSSA-N 1 2 275.301 -1.091 20 0 CAADLO COC(=O)CC[C@@H](C(=O)OC)[N@@H+]1C[C@H](O)C[C@H](O)C1 ZINC000595338020 373112558 /nfs/dbraw/zinc/11/25/58/373112558.db2.gz OLVWLBRRZKZORM-AEJSXWLSSA-N 1 2 275.301 -1.091 20 0 CAADLO COC(=O)CCN1CC[C@H]([N@H+](C)[C@@H]2CCNC2=O)C1=O ZINC000595395240 373112658 /nfs/dbraw/zinc/11/26/58/373112658.db2.gz LHVKBNPZDIABEO-ZJUUUORDSA-N 1 2 283.328 -1.029 20 0 CAADLO COC(=O)CCN1CC[C@H]([N@@H+](C)[C@@H]2CCNC2=O)C1=O ZINC000595395240 373112663 /nfs/dbraw/zinc/11/26/63/373112663.db2.gz LHVKBNPZDIABEO-ZJUUUORDSA-N 1 2 283.328 -1.029 20 0 CAADLO COC(=O)CCN1CC[C@@H]([N@@H+]2CCNC(=O)CC2)C1=O ZINC000595310084 373112808 /nfs/dbraw/zinc/11/28/08/373112808.db2.gz TUPZJKAOJYBEFH-SNVBAGLBSA-N 1 2 283.328 -1.028 20 0 CAADLO COC(=O)CCN1CC[C@@H]([N@H+]2CCNC(=O)CC2)C1=O ZINC000595310084 373112813 /nfs/dbraw/zinc/11/28/13/373112813.db2.gz TUPZJKAOJYBEFH-SNVBAGLBSA-N 1 2 283.328 -1.028 20 0 CAADLO COC(=O)CCN1CC[C@@H]([N@@H+]2CCO[C@H](C(N)=O)C2)C1=O ZINC000595297872 373112855 /nfs/dbraw/zinc/11/28/55/373112855.db2.gz JTKFTJSZFHJDDS-ZJUUUORDSA-N 1 2 299.327 -1.664 20 0 CAADLO COC(=O)CCN1CC[C@@H]([N@H+]2CCO[C@H](C(N)=O)C2)C1=O ZINC000595297872 373112861 /nfs/dbraw/zinc/11/28/61/373112861.db2.gz JTKFTJSZFHJDDS-ZJUUUORDSA-N 1 2 299.327 -1.664 20 0 CAADLO COC(=O)C[N@H+](CCN1CCOCC1)C[C@@H]1CNC(=O)C1 ZINC000595319524 373112887 /nfs/dbraw/zinc/11/28/87/373112887.db2.gz RFFLYNGLWQSHFF-LBPRGKRZSA-N 1 2 299.371 -1.070 20 0 CAADLO COC(=O)C[N@@H+](CCN1CCOCC1)C[C@@H]1CNC(=O)C1 ZINC000595319524 373112895 /nfs/dbraw/zinc/11/28/95/373112895.db2.gz RFFLYNGLWQSHFF-LBPRGKRZSA-N 1 2 299.371 -1.070 20 0 CAADLO COC(=O)CN(CC[NH+]1CCOCC1)C[C@@H]1CNC(=O)C1 ZINC000595319524 373112898 /nfs/dbraw/zinc/11/28/98/373112898.db2.gz RFFLYNGLWQSHFF-LBPRGKRZSA-N 1 2 299.371 -1.070 20 0 CAADLO COC(=O)CCN1CC[C@@H]([N@H+](C)[C@@H]2CCNC2=O)C1=O ZINC000595395235 373113019 /nfs/dbraw/zinc/11/30/19/373113019.db2.gz LHVKBNPZDIABEO-NXEZZACHSA-N 1 2 283.328 -1.029 20 0 CAADLO COC(=O)CCN1CC[C@@H]([N@@H+](C)[C@@H]2CCNC2=O)C1=O ZINC000595395235 373113023 /nfs/dbraw/zinc/11/30/23/373113023.db2.gz LHVKBNPZDIABEO-NXEZZACHSA-N 1 2 283.328 -1.029 20 0 CAADLO COC(=O)CNC(=O)[C@H](C)[N@H+](C)Cc1n[nH]c(=O)o1 ZINC000595548265 373114412 /nfs/dbraw/zinc/11/44/12/373114412.db2.gz UYDYYCXFXJYCNW-LURJTMIESA-N 1 2 272.261 -1.115 20 0 CAADLO COC(=O)CNC(=O)[C@H](C)[N@@H+](C)Cc1n[nH]c(=O)o1 ZINC000595548265 373114418 /nfs/dbraw/zinc/11/44/18/373114418.db2.gz UYDYYCXFXJYCNW-LURJTMIESA-N 1 2 272.261 -1.115 20 0 CAADLO COC(=O)CNC(=O)CC[N@H+](C)Cc1n[nH]c(=O)o1 ZINC000595548301 373115439 /nfs/dbraw/zinc/11/54/39/373115439.db2.gz VKMCHHJJRMKLNV-UHFFFAOYSA-N 1 2 272.261 -1.114 20 0 CAADLO COC(=O)CNC(=O)CC[N@@H+](C)Cc1n[nH]c(=O)o1 ZINC000595548301 373115444 /nfs/dbraw/zinc/11/54/44/373115444.db2.gz VKMCHHJJRMKLNV-UHFFFAOYSA-N 1 2 272.261 -1.114 20 0 CAADLO COC(=O)[C@]1(C)CCN(C(=O)CN2CC[NH2+]CC2=O)C1 ZINC000592220522 373069928 /nfs/dbraw/zinc/06/99/28/373069928.db2.gz JCSNAORGLJYTPZ-CYBMUJFWSA-N 1 2 283.328 -1.170 20 0 CAADLO CCOC(=O)C[C@H](O)C[N@@H+]1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000599337553 373171685 /nfs/dbraw/zinc/17/16/85/373171685.db2.gz BQVIKEOICGOVKJ-IUCAKERBSA-N 1 2 285.300 -1.464 20 0 CAADLO CCOC(=O)C[C@H](O)C[N@H+]1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000599337553 373171691 /nfs/dbraw/zinc/17/16/91/373171691.db2.gz BQVIKEOICGOVKJ-IUCAKERBSA-N 1 2 285.300 -1.464 20 0 CAADLO COC(=O)COCCNC(=O)NCC[NH+]1CCOCC1 ZINC000598958249 373164160 /nfs/dbraw/zinc/16/41/60/373164160.db2.gz LGDZFKPFIZFNKB-UHFFFAOYSA-N 1 2 289.332 -1.193 20 0 CAADLO COC(=O)[C@@H]1C[C@H](N2C(=O)CNC2=O)C[N@@H+]1C[C@@H](C)CO ZINC000598639231 373164331 /nfs/dbraw/zinc/16/43/31/373164331.db2.gz NIEGIZKGANMCRV-UTLUCORTSA-N 1 2 299.327 -1.218 20 0 CAADLO COC(=O)[C@@H]1C[C@H](N2C(=O)CNC2=O)C[N@H+]1C[C@@H](C)CO ZINC000598639231 373164338 /nfs/dbraw/zinc/16/43/38/373164338.db2.gz NIEGIZKGANMCRV-UTLUCORTSA-N 1 2 299.327 -1.218 20 0 CAADLO CC(C)(C)OC(=O)[C@@](C)(O)CNc1nc(N)nc(N)[nH+]1 ZINC000599070212 373165822 /nfs/dbraw/zinc/16/58/22/373165822.db2.gz XBPMVJXLILPBDC-NSHDSACASA-N 1 2 284.320 -1.377 20 0 CAADLO CCOC(=O)C[C@H](O)C[N@@H+]1C[C@H](O)C[C@H]1C(=O)OC ZINC000599286969 373172416 /nfs/dbraw/zinc/17/24/16/373172416.db2.gz PDSYJCSITPGSDG-UTLUCORTSA-N 1 2 275.301 -1.091 20 0 CAADLO CCOC(=O)C[C@H](O)C[N@H+]1C[C@H](O)C[C@H]1C(=O)OC ZINC000599286969 373172424 /nfs/dbraw/zinc/17/24/24/373172424.db2.gz PDSYJCSITPGSDG-UTLUCORTSA-N 1 2 275.301 -1.091 20 0 CAADLO CCOC(=O)C1(CNc2nc(N)nc(N)[nH+]2)CC1 ZINC000599068331 373166071 /nfs/dbraw/zinc/16/60/71/373166071.db2.gz NACSTRPEYUMZSD-UHFFFAOYSA-N 1 2 252.278 -1.126 20 0 CAADLO CC(C)(C)OC(=O)[C@](C)(O)CNc1nc(N)nc(N)[nH+]1 ZINC000599070210 373167614 /nfs/dbraw/zinc/16/76/14/373167614.db2.gz XBPMVJXLILPBDC-LLVKDONJSA-N 1 2 284.320 -1.377 20 0 CAADLO COC(=O)CNC(=O)CC[N@H+](C)Cc1cn(C)nn1 ZINC000595757268 373120786 /nfs/dbraw/zinc/12/07/86/373120786.db2.gz BFEXRFPAZQSYKQ-UHFFFAOYSA-N 1 2 269.305 -1.074 20 0 CAADLO COC(=O)CNC(=O)CC[N@@H+](C)Cc1cn(C)nn1 ZINC000595757268 373120789 /nfs/dbraw/zinc/12/07/89/373120789.db2.gz BFEXRFPAZQSYKQ-UHFFFAOYSA-N 1 2 269.305 -1.074 20 0 CAADLO COC(=O)[C@](C)(O)C[N@@H+]1CCN(S(C)(=O)=O)[C@H](C)C1 ZINC000595752768 373120880 /nfs/dbraw/zinc/12/08/80/373120880.db2.gz NKBMNWXMUSRZLT-MWLCHTKSSA-N 1 2 294.373 -1.124 20 0 CAADLO COC(=O)[C@](C)(O)C[N@H+]1CCN(S(C)(=O)=O)[C@H](C)C1 ZINC000595752768 373120886 /nfs/dbraw/zinc/12/08/86/373120886.db2.gz NKBMNWXMUSRZLT-MWLCHTKSSA-N 1 2 294.373 -1.124 20 0 CAADLO CCOC(=O)[C@H](N)C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000595948647 373122375 /nfs/dbraw/zinc/12/23/75/373122375.db2.gz SRCSAGHILMVUKW-VHSXEESVSA-N 1 2 273.333 -1.286 20 0 CAADLO CCOC(=O)[C@H](N)C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000595948647 373122382 /nfs/dbraw/zinc/12/23/82/373122382.db2.gz SRCSAGHILMVUKW-VHSXEESVSA-N 1 2 273.333 -1.286 20 0 CAADLO CCOC(=O)[C@@H](N)C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000595945670 373128311 /nfs/dbraw/zinc/12/83/11/373128311.db2.gz VXYLAZTZBBYYCY-ZJUUUORDSA-N 1 2 273.333 -1.286 20 0 CAADLO CCOC(=O)[C@@H](N)C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000595945670 373128318 /nfs/dbraw/zinc/12/83/18/373128318.db2.gz VXYLAZTZBBYYCY-ZJUUUORDSA-N 1 2 273.333 -1.286 20 0 CAADLO COC(=O)[C@H]1C[C@H](NC(=O)CN2CC[NH2+]CC2=O)C1 ZINC000595992306 373130431 /nfs/dbraw/zinc/13/04/31/373130431.db2.gz WMBXLWYSKGLBLF-KYZUINATSA-N 1 2 269.301 -1.514 20 0 CAADLO COC(=O)c1nccc(NCCC[N@@H+]2CCNC(=O)C2)n1 ZINC000596171474 373132073 /nfs/dbraw/zinc/13/20/73/373132073.db2.gz BLKSDELDMQDLOT-UHFFFAOYSA-N 1 2 293.327 -1.081 20 0 CAADLO COC(=O)c1nccc(NCCC[N@H+]2CCNC(=O)C2)n1 ZINC000596171474 373132078 /nfs/dbraw/zinc/13/20/78/373132078.db2.gz BLKSDELDMQDLOT-UHFFFAOYSA-N 1 2 293.327 -1.081 20 0 CAADLO COC(=O)CN(CC[NH+]1CCOCC1)C(=O)[C@@H]1CC(=O)N1 ZINC000597186131 373140168 /nfs/dbraw/zinc/14/01/68/373140168.db2.gz BVXCPMVCECDYDK-JTQLQIEISA-N 1 2 299.327 -1.791 20 0 CAADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H]1CN(C)C(=O)N1 ZINC000597441841 373144284 /nfs/dbraw/zinc/14/42/84/373144284.db2.gz PJYHHTYRZYMBHI-IUCAKERBSA-N 1 2 295.299 -1.366 20 0 CAADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H]1CN(C)C(=O)N1 ZINC000597441841 373144294 /nfs/dbraw/zinc/14/42/94/373144294.db2.gz PJYHHTYRZYMBHI-IUCAKERBSA-N 1 2 295.299 -1.366 20 0 CAADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H]1CN(C)C(=O)N1 ZINC000597441838 373144937 /nfs/dbraw/zinc/14/49/37/373144937.db2.gz PJYHHTYRZYMBHI-DTWKUNHWSA-N 1 2 295.299 -1.366 20 0 CAADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H]1CN(C)C(=O)N1 ZINC000597441838 373144942 /nfs/dbraw/zinc/14/49/42/373144942.db2.gz PJYHHTYRZYMBHI-DTWKUNHWSA-N 1 2 295.299 -1.366 20 0 CAADLO COCC[N@H+](C)Cc1cn(CC(=O)NCC(=O)OC)nn1 ZINC000603170636 373211538 /nfs/dbraw/zinc/21/15/38/373211538.db2.gz FNEFFEDPXUAYQK-UHFFFAOYSA-N 1 2 299.331 -1.355 20 0 CAADLO COCC[N@@H+](C)Cc1cn(CC(=O)NCC(=O)OC)nn1 ZINC000603170636 373211550 /nfs/dbraw/zinc/21/15/50/373211550.db2.gz FNEFFEDPXUAYQK-UHFFFAOYSA-N 1 2 299.331 -1.355 20 0 CAADLO CNS(=O)(=O)[C@H]1CCC[N@@H+]([C@@H]2CC(=O)N(C)C2=O)C1 ZINC000603510482 373214176 /nfs/dbraw/zinc/21/41/76/373214176.db2.gz LXJHXIHAFYRKIB-DTWKUNHWSA-N 1 2 289.357 -1.243 20 0 CAADLO CNS(=O)(=O)[C@H]1CCC[N@H+]([C@@H]2CC(=O)N(C)C2=O)C1 ZINC000603510482 373214190 /nfs/dbraw/zinc/21/41/90/373214190.db2.gz LXJHXIHAFYRKIB-DTWKUNHWSA-N 1 2 289.357 -1.243 20 0 CAADLO CNS(=O)(=O)[C@@H]1CCC[N@@H+]([C@@H]2CC(=O)N(C)C2=O)C1 ZINC000603510485 373214837 /nfs/dbraw/zinc/21/48/37/373214837.db2.gz LXJHXIHAFYRKIB-RKDXNWHRSA-N 1 2 289.357 -1.243 20 0 CAADLO CNS(=O)(=O)[C@@H]1CCC[N@H+]([C@@H]2CC(=O)N(C)C2=O)C1 ZINC000603510485 373214845 /nfs/dbraw/zinc/21/48/45/373214845.db2.gz LXJHXIHAFYRKIB-RKDXNWHRSA-N 1 2 289.357 -1.243 20 0 CAADLO CCNC(=O)C[N@H+](C)[C@H](C)C(=O)NCC(=O)OC ZINC000603934429 373219406 /nfs/dbraw/zinc/21/94/06/373219406.db2.gz XMERWNMDSWKFLL-MRVPVSSYSA-N 1 2 259.306 -1.268 20 0 CAADLO CCNC(=O)C[N@@H+](C)[C@H](C)C(=O)NCC(=O)OC ZINC000603934429 373219414 /nfs/dbraw/zinc/21/94/14/373219414.db2.gz XMERWNMDSWKFLL-MRVPVSSYSA-N 1 2 259.306 -1.268 20 0 CAADLO CC[N@H+](CC(=O)N[C@H](C)C(=O)N(C)C)CC(=O)N(C)C ZINC000051792445 373222585 /nfs/dbraw/zinc/22/25/85/373222585.db2.gz VOUZYUUHKMUYJH-SNVBAGLBSA-N 1 2 286.376 -1.011 20 0 CAADLO CC[N@@H+](CC(=O)N[C@H](C)C(=O)N(C)C)CC(=O)N(C)C ZINC000051792445 373222589 /nfs/dbraw/zinc/22/25/89/373222589.db2.gz VOUZYUUHKMUYJH-SNVBAGLBSA-N 1 2 286.376 -1.011 20 0 CAADLO O=C(NCCN1CCNC(=O)C1)N[C@H]1Cc2c[nH+]cn2C1 ZINC000637034648 373224070 /nfs/dbraw/zinc/22/40/70/373224070.db2.gz RIQANDIUKCHNSE-JTQLQIEISA-N 1 2 292.343 -1.461 20 0 CAADLO CCNC(=O)NC(=O)C[N@@H+]1CC[C@@]2(C1)NC(=O)N(C)C2=O ZINC000604550535 373224101 /nfs/dbraw/zinc/22/41/01/373224101.db2.gz DRURXOIHTJLAAI-LBPRGKRZSA-N 1 2 297.315 -1.542 20 0 CAADLO CCOC(=O)C[C@@H](O)C[N@@H+]1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000599337554 373173231 /nfs/dbraw/zinc/17/32/31/373173231.db2.gz BQVIKEOICGOVKJ-RKDXNWHRSA-N 1 2 285.300 -1.464 20 0 CAADLO CCOC(=O)C[C@@H](O)C[N@H+]1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000599337554 373173238 /nfs/dbraw/zinc/17/32/38/373173238.db2.gz BQVIKEOICGOVKJ-RKDXNWHRSA-N 1 2 285.300 -1.464 20 0 CAADLO CCOC(=O)C[C@H](O)C[N@@H+]1C[C@H](O)C[C@@H]1C(=O)OC ZINC000599386575 373173512 /nfs/dbraw/zinc/17/35/12/373173512.db2.gz PDSYJCSITPGSDG-KXUCPTDWSA-N 1 2 275.301 -1.091 20 0 CAADLO CCOC(=O)C[C@H](O)C[N@H+]1C[C@H](O)C[C@@H]1C(=O)OC ZINC000599386575 373173522 /nfs/dbraw/zinc/17/35/22/373173522.db2.gz PDSYJCSITPGSDG-KXUCPTDWSA-N 1 2 275.301 -1.091 20 0 CAADLO CCOC(=O)C[C@@H](O)C[N@@H+]1CCO[C@H](C(=O)NC)C1 ZINC000599356411 373173914 /nfs/dbraw/zinc/17/39/14/373173914.db2.gz DBAOKMZCHXZLRP-ZJUUUORDSA-N 1 2 274.317 -1.253 20 0 CAADLO CCOC(=O)C[C@@H](O)C[N@H+]1CCO[C@H](C(=O)NC)C1 ZINC000599356411 373173923 /nfs/dbraw/zinc/17/39/23/373173923.db2.gz DBAOKMZCHXZLRP-ZJUUUORDSA-N 1 2 274.317 -1.253 20 0 CAADLO COC(=O)CCCC[N@@H+]1CCN(CC(N)=O)C(=O)C1 ZINC000599438169 373174034 /nfs/dbraw/zinc/17/40/34/373174034.db2.gz NVOHXWYIUGTNNT-UHFFFAOYSA-N 1 2 271.317 -1.041 20 0 CAADLO COC(=O)CCCC[N@H+]1CCN(CC(N)=O)C(=O)C1 ZINC000599438169 373174047 /nfs/dbraw/zinc/17/40/47/373174047.db2.gz NVOHXWYIUGTNNT-UHFFFAOYSA-N 1 2 271.317 -1.041 20 0 CAADLO CCOC(=O)C[C@@H](O)C[N@@H+]1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC000599319129 373174809 /nfs/dbraw/zinc/17/48/09/373174809.db2.gz KCFFMVBKSOMLPC-VHSXEESVSA-N 1 2 299.327 -2.057 20 0 CAADLO CCOC(=O)C[C@@H](O)C[N@H+]1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC000599319129 373174815 /nfs/dbraw/zinc/17/48/15/373174815.db2.gz KCFFMVBKSOMLPC-VHSXEESVSA-N 1 2 299.327 -2.057 20 0 CAADLO CCOC(=O)C[C@H](O)C[N@@H+]1C[C@@H](O)C[C@@H]1C(=O)OC ZINC000599386576 373175334 /nfs/dbraw/zinc/17/53/34/373175334.db2.gz PDSYJCSITPGSDG-LPEHRKFASA-N 1 2 275.301 -1.091 20 0 CAADLO CCOC(=O)C[C@H](O)C[N@H+]1C[C@@H](O)C[C@@H]1C(=O)OC ZINC000599386576 373175338 /nfs/dbraw/zinc/17/53/38/373175338.db2.gz PDSYJCSITPGSDG-LPEHRKFASA-N 1 2 275.301 -1.091 20 0 CAADLO CCOC(=O)C[C@@H](O)C[N@@H+]1CCO[C@@H](C(=O)NC)C1 ZINC000599356405 373175505 /nfs/dbraw/zinc/17/55/05/373175505.db2.gz DBAOKMZCHXZLRP-NXEZZACHSA-N 1 2 274.317 -1.253 20 0 CAADLO CCOC(=O)C[C@@H](O)C[N@H+]1CCO[C@@H](C(=O)NC)C1 ZINC000599356405 373175512 /nfs/dbraw/zinc/17/55/12/373175512.db2.gz DBAOKMZCHXZLRP-NXEZZACHSA-N 1 2 274.317 -1.253 20 0 CAADLO CCNC(=O)NC(=O)C[N@H+]1CC[C@@]2(C1)NC(=O)N(C)C2=O ZINC000604550535 373224111 /nfs/dbraw/zinc/22/41/11/373224111.db2.gz DRURXOIHTJLAAI-LBPRGKRZSA-N 1 2 297.315 -1.542 20 0 CAADLO C[C@@H](C(=O)NC(N)=O)[NH+]1CCN(c2nccnn2)CC1 ZINC000599510282 373180524 /nfs/dbraw/zinc/18/05/24/373180524.db2.gz VPZMKPYSNWHYHE-QMMMGPOBSA-N 1 2 279.304 -1.423 20 0 CAADLO CC(C)NC(=O)NC(=O)[C@@H](C)[N@@H+]1C[C@H](O)C[C@H]1C(N)=O ZINC000599541780 373181773 /nfs/dbraw/zinc/18/17/73/373181773.db2.gz OUNDPWPNUACXLK-HLTSFMKQSA-N 1 2 286.332 -1.470 20 0 CAADLO CC(C)NC(=O)NC(=O)[C@@H](C)[N@H+]1C[C@H](O)C[C@H]1C(N)=O ZINC000599541780 373181777 /nfs/dbraw/zinc/18/17/77/373181777.db2.gz OUNDPWPNUACXLK-HLTSFMKQSA-N 1 2 286.332 -1.470 20 0 CAADLO CCOC(=O)[C@](C)(O)C[N@@H+]1CCO[C@H](CC(N)=O)C1 ZINC000599666611 373183634 /nfs/dbraw/zinc/18/36/34/373183634.db2.gz YPFWFTIOWBDYKE-BXKDBHETSA-N 1 2 274.317 -1.123 20 0 CAADLO CCOC(=O)[C@](C)(O)C[N@H+]1CCO[C@H](CC(N)=O)C1 ZINC000599666611 373183637 /nfs/dbraw/zinc/18/36/37/373183637.db2.gz YPFWFTIOWBDYKE-BXKDBHETSA-N 1 2 274.317 -1.123 20 0 CAADLO CCOC(=O)C[C@@H](O)C[N@@H+]1CCO[C@@H](CC(N)=O)C1 ZINC000599658349 373183679 /nfs/dbraw/zinc/18/36/79/373183679.db2.gz ARCABGUSUGXRSI-ZJUUUORDSA-N 1 2 274.317 -1.123 20 0 CAADLO CCOC(=O)C[C@@H](O)C[N@H+]1CCO[C@@H](CC(N)=O)C1 ZINC000599658349 373183682 /nfs/dbraw/zinc/18/36/82/373183682.db2.gz ARCABGUSUGXRSI-ZJUUUORDSA-N 1 2 274.317 -1.123 20 0 CAADLO CCOC(=O)[C@@](C)(O)C[N@@H+]1CCO[C@@H](CC(N)=O)C1 ZINC000599666612 373183690 /nfs/dbraw/zinc/18/36/90/373183690.db2.gz YPFWFTIOWBDYKE-CABZTGNLSA-N 1 2 274.317 -1.123 20 0 CAADLO CCOC(=O)[C@@](C)(O)C[N@H+]1CCO[C@@H](CC(N)=O)C1 ZINC000599666612 373183694 /nfs/dbraw/zinc/18/36/94/373183694.db2.gz YPFWFTIOWBDYKE-CABZTGNLSA-N 1 2 274.317 -1.123 20 0 CAADLO CCOC(=O)C[C@H](O)C[N@@H+]1CCO[C@H](CC(N)=O)C1 ZINC000599658348 373183861 /nfs/dbraw/zinc/18/38/61/373183861.db2.gz ARCABGUSUGXRSI-VHSXEESVSA-N 1 2 274.317 -1.123 20 0 CAADLO CCOC(=O)C[C@H](O)C[N@H+]1CCO[C@H](CC(N)=O)C1 ZINC000599658348 373183867 /nfs/dbraw/zinc/18/38/67/373183867.db2.gz ARCABGUSUGXRSI-VHSXEESVSA-N 1 2 274.317 -1.123 20 0 CAADLO COC(=O)[C@@](C)(NC(=O)CN1CC[NH2+]CC1=O)C1CC1 ZINC000563155128 373224758 /nfs/dbraw/zinc/22/47/58/373224758.db2.gz JZWPITSETFMQIE-ZDUSSCGKSA-N 1 2 283.328 -1.124 20 0 CAADLO COC[C@@H](O)C[NH+]1CCN(S(=O)(=O)N(C)C)CC1 ZINC000601832162 373191718 /nfs/dbraw/zinc/19/17/18/373191718.db2.gz RMIIHBQUJHDSKU-JTQLQIEISA-N 1 2 281.378 -1.582 20 0 CAADLO CSC[C@H](O)C[NH+]1CC(NS(C)(=O)=O)C1 ZINC000601962944 373191820 /nfs/dbraw/zinc/19/18/20/373191820.db2.gz HMNVEARFHWPLFI-MRVPVSSYSA-N 1 2 254.377 -1.056 20 0 CAADLO CCOC(=O)CC[C@H](O)C[NH+]1CC(NS(C)(=O)=O)C1 ZINC000601961883 373191919 /nfs/dbraw/zinc/19/19/19/373191919.db2.gz BIBHSCYXSLIWTQ-JTQLQIEISA-N 1 2 294.373 -1.076 20 0 CAADLO COC(=O)C[C@H]1CS(=O)(=O)CCN1C(=O)C[NH+](C)C ZINC000601796938 373192232 /nfs/dbraw/zinc/19/22/32/373192232.db2.gz RGCFVPSDUUEESJ-VIFPVBQESA-N 1 2 292.357 -1.263 20 0 CAADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(N)=O)C[C@H]1C ZINC000602129437 373193681 /nfs/dbraw/zinc/19/36/81/373193681.db2.gz IQMDSZRVRWNHJN-MRVPVSSYSA-N 1 2 257.290 -1.433 20 0 CAADLO COC(=O)CC[N@H+]1CCN(C(=O)C(N)=O)C[C@H]1C ZINC000602129437 373193690 /nfs/dbraw/zinc/19/36/90/373193690.db2.gz IQMDSZRVRWNHJN-MRVPVSSYSA-N 1 2 257.290 -1.433 20 0 CAADLO COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)C(N)=O)CC1 ZINC000602106380 373195351 /nfs/dbraw/zinc/19/53/51/373195351.db2.gz HIMVUORXPUTKTL-MRVPVSSYSA-N 1 2 257.290 -1.433 20 0 CAADLO CCOC(=O)CNC(=O)[C@@H](C)N1CC[NH2+]CC1=O ZINC000602438449 373198028 /nfs/dbraw/zinc/19/80/28/373198028.db2.gz JHONLEIAQLAGFX-MRVPVSSYSA-N 1 2 257.290 -1.514 20 0 CAADLO COC(=O)C(C)(C)NC(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000602443604 373199471 /nfs/dbraw/zinc/19/94/71/373199471.db2.gz GIOOMFZNKWENGU-QMMMGPOBSA-N 1 2 271.317 -1.126 20 0 CAADLO COC(=O)[C@@]1(NC(=O)[C@H](C)N2CC[NH2+]CC2=O)CCOC1 ZINC000602465681 373199709 /nfs/dbraw/zinc/19/97/09/373199709.db2.gz JXSROTPYMTZFDJ-TVQRCGJNSA-N 1 2 299.327 -1.745 20 0 CAADLO COC(=O)[C@H](C)CNC(=O)[C@@H](C)N1CC[NH2+]CC1=O ZINC000602452641 373200055 /nfs/dbraw/zinc/20/00/55/373200055.db2.gz DUMJSVROLJCEDK-RKDXNWHRSA-N 1 2 271.317 -1.268 20 0 CAADLO COC(=O)C(C)(C)NC(=O)[C@@H](C)N1CC[NH2+]CC1=O ZINC000602443603 373200639 /nfs/dbraw/zinc/20/06/39/373200639.db2.gz GIOOMFZNKWENGU-MRVPVSSYSA-N 1 2 271.317 -1.126 20 0 CAADLO COC(=O)[C@@]1(NC(=O)[C@@H](C)N2CC[NH2+]CC2=O)CCOC1 ZINC000602465679 373201019 /nfs/dbraw/zinc/20/10/19/373201019.db2.gz JXSROTPYMTZFDJ-NOZJJQNGSA-N 1 2 299.327 -1.745 20 0 CAADLO COC(=O)CCNC(=O)[C@@H](C)N1CC[NH2+]CC1=O ZINC000602445501 373201094 /nfs/dbraw/zinc/20/10/94/373201094.db2.gz WNOIHQGDUJJGSD-MRVPVSSYSA-N 1 2 257.290 -1.514 20 0 CAADLO COC(=O)CCNC(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000602445503 373201109 /nfs/dbraw/zinc/20/11/09/373201109.db2.gz WNOIHQGDUJJGSD-QMMMGPOBSA-N 1 2 257.290 -1.514 20 0 CAADLO CCOC(=O)[C@H](N)C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000602544973 373203420 /nfs/dbraw/zinc/20/34/20/373203420.db2.gz GFMSRMYQSNKWQV-DTWKUNHWSA-N 1 2 259.306 -1.676 20 0 CAADLO CCOC(=O)[C@H](N)C(=O)NC[C@H]1COCC[N@H+]1C ZINC000602544973 373203425 /nfs/dbraw/zinc/20/34/25/373203425.db2.gz GFMSRMYQSNKWQV-DTWKUNHWSA-N 1 2 259.306 -1.676 20 0 CAADLO COC[C@@H](NC(=O)[C@@H](C)N1CC[NH2+]CC1=O)C(=O)OC ZINC000602504946 373203625 /nfs/dbraw/zinc/20/36/25/373203625.db2.gz OKHCJPIRJAZMNP-RKDXNWHRSA-N 1 2 287.316 -1.889 20 0 CAADLO COC(=O)[C@@](C)(O)C[NH+]1CCN(Cc2nc[nH]n2)CC1 ZINC000602862634 373207355 /nfs/dbraw/zinc/20/73/55/373207355.db2.gz DTARPJJJUXZSNV-LBPRGKRZSA-N 1 2 283.332 -1.154 20 0 CAADLO COC(=O)[C@@](C)(O)C[NH+]1CCN(Cc2nnc[nH]2)CC1 ZINC000602862634 373207360 /nfs/dbraw/zinc/20/73/60/373207360.db2.gz DTARPJJJUXZSNV-LBPRGKRZSA-N 1 2 283.332 -1.154 20 0 CAADLO CCOC(=O)C[C@@H](O)C[N@@H+]1CCN(C)C[C@@H]1CO ZINC000602904093 373208847 /nfs/dbraw/zinc/20/88/47/373208847.db2.gz ISUZLSBVVVQKMO-GHMZBOCLSA-N 1 2 260.334 -1.091 20 0 CAADLO CCOC(=O)C[C@@H](O)C[N@H+]1CCN(C)C[C@@H]1CO ZINC000602904093 373208858 /nfs/dbraw/zinc/20/88/58/373208858.db2.gz ISUZLSBVVVQKMO-GHMZBOCLSA-N 1 2 260.334 -1.091 20 0 CAADLO CCOC(=O)C[C@@H](O)C[N@@H+]1CCN(C)C[C@H]1CO ZINC000602904098 373209084 /nfs/dbraw/zinc/20/90/84/373209084.db2.gz ISUZLSBVVVQKMO-WDEREUQCSA-N 1 2 260.334 -1.091 20 0 CAADLO CCOC(=O)C[C@@H](O)C[N@H+]1CCN(C)C[C@H]1CO ZINC000602904098 373209098 /nfs/dbraw/zinc/20/90/98/373209098.db2.gz ISUZLSBVVVQKMO-WDEREUQCSA-N 1 2 260.334 -1.091 20 0 CAADLO CC[C@H](C)[C@H]1C[N@H+](CC(N)=O)CCN1CC(N)=O ZINC000337974032 373270983 /nfs/dbraw/zinc/27/09/83/373270983.db2.gz DGBZLAAWBLOOBW-VHSXEESVSA-N 1 2 256.350 -1.011 20 0 CAADLO CC[C@H](C)[C@H]1C[N@@H+](CC(N)=O)CCN1CC(N)=O ZINC000337974032 373270989 /nfs/dbraw/zinc/27/09/89/373270989.db2.gz DGBZLAAWBLOOBW-VHSXEESVSA-N 1 2 256.350 -1.011 20 0 CAADLO CCS(=O)(=O)NCCC[N@H+](C)Cc1nnnn1C ZINC000337978367 373272150 /nfs/dbraw/zinc/27/21/50/373272150.db2.gz JVGJMIOVVCBDIL-UHFFFAOYSA-N 1 2 276.366 -1.029 20 0 CAADLO CCS(=O)(=O)NCCC[N@@H+](C)Cc1nnnn1C ZINC000337978367 373272156 /nfs/dbraw/zinc/27/21/56/373272156.db2.gz JVGJMIOVVCBDIL-UHFFFAOYSA-N 1 2 276.366 -1.029 20 0 CAADLO CCS(=O)(=O)N(C)CC(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000365909800 373272526 /nfs/dbraw/zinc/27/25/26/373272526.db2.gz XMDWNUDDVJLFDQ-SNVBAGLBSA-N 1 2 293.389 -1.285 20 0 CAADLO CCS(=O)(=O)N(C)CC(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000365909800 373272532 /nfs/dbraw/zinc/27/25/32/373272532.db2.gz XMDWNUDDVJLFDQ-SNVBAGLBSA-N 1 2 293.389 -1.285 20 0 CAADLO C[C@@H](NC(=O)C[N@@H+]1CCC[C@]12CCNC2=O)C(=O)N(C)C ZINC000570981850 373274733 /nfs/dbraw/zinc/27/47/33/373274733.db2.gz YAQALAHOMJSNMW-QMTHXVAHSA-N 1 2 296.371 -1.066 20 0 CAADLO C[C@@H](NC(=O)C[N@H+]1CCC[C@]12CCNC2=O)C(=O)N(C)C ZINC000570981850 373274738 /nfs/dbraw/zinc/27/47/38/373274738.db2.gz YAQALAHOMJSNMW-QMTHXVAHSA-N 1 2 296.371 -1.066 20 0 CAADLO C[C@H](NC(=O)C[N@@H+]1CCC[C@]12CCNC2=O)C(=O)N(C)C ZINC000570981849 373274900 /nfs/dbraw/zinc/27/49/00/373274900.db2.gz YAQALAHOMJSNMW-IINYFYTJSA-N 1 2 296.371 -1.066 20 0 CAADLO C[C@H](NC(=O)C[N@H+]1CCC[C@]12CCNC2=O)C(=O)N(C)C ZINC000570981849 373274907 /nfs/dbraw/zinc/27/49/07/373274907.db2.gz YAQALAHOMJSNMW-IINYFYTJSA-N 1 2 296.371 -1.066 20 0 CAADLO CC(C)(C(=O)NCCC(=O)NC(N)=O)[NH+]1CCOCC1 ZINC000338227179 373275149 /nfs/dbraw/zinc/27/51/49/373275149.db2.gz HWQUXDIBDJAWDN-UHFFFAOYSA-N 1 2 286.332 -1.202 20 0 CAADLO O=C(NCCC[N@@H+]1CCNC(=O)C1)[C@@H]1COCCO1 ZINC000338134429 373275198 /nfs/dbraw/zinc/27/51/98/373275198.db2.gz BZPCDJNZRJHYMM-JTQLQIEISA-N 1 2 271.317 -1.660 20 0 CAADLO O=C(NCCC[N@H+]1CCNC(=O)C1)[C@@H]1COCCO1 ZINC000338134429 373275205 /nfs/dbraw/zinc/27/52/05/373275205.db2.gz BZPCDJNZRJHYMM-JTQLQIEISA-N 1 2 271.317 -1.660 20 0 CAADLO COCCN1C[C@H](C(=O)NC[C@@H]2C[N@H+](C)CCO2)CC1=O ZINC000338119419 373275492 /nfs/dbraw/zinc/27/54/92/373275492.db2.gz ZZBDFHJMLNHMKV-VXGBXAGGSA-N 1 2 299.371 -1.072 20 0 CAADLO COCCN1C[C@H](C(=O)NC[C@@H]2C[N@@H+](C)CCO2)CC1=O ZINC000338119419 373275500 /nfs/dbraw/zinc/27/55/00/373275500.db2.gz ZZBDFHJMLNHMKV-VXGBXAGGSA-N 1 2 299.371 -1.072 20 0 CAADLO CN(C[C@H](O)CO)C(=O)C(C)(C)[NH+]1CCOCC1 ZINC000338177978 373275740 /nfs/dbraw/zinc/27/57/40/373275740.db2.gz NCLAIQQJYFBFLE-JTQLQIEISA-N 1 2 260.334 -1.091 20 0 CAADLO CNS(=O)(=O)[C@H]1CCC[N@H+](CCNS(C)(=O)=O)C1 ZINC000365284854 373230943 /nfs/dbraw/zinc/23/09/43/373230943.db2.gz XVFHABLHHHLGQM-VIFPVBQESA-N 1 2 299.418 -1.451 20 0 CAADLO CNS(=O)(=O)[C@H]1CCC[N@@H+](CCNS(C)(=O)=O)C1 ZINC000365284854 373230948 /nfs/dbraw/zinc/23/09/48/373230948.db2.gz XVFHABLHHHLGQM-VIFPVBQESA-N 1 2 299.418 -1.451 20 0 CAADLO CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)C[NH+](C)C ZINC000617879864 373233472 /nfs/dbraw/zinc/23/34/72/373233472.db2.gz HNWLQDMLICKELT-YUMQZZPRSA-N 1 2 250.320 -1.524 20 0 CAADLO CN(C)C(=O)[C@@H]1CC[C@H](C(=O)N2CC[NH+](CCO)CC2)O1 ZINC000623076364 373238004 /nfs/dbraw/zinc/23/80/04/373238004.db2.gz IEOICUQVCMEQDU-NWDGAFQWSA-N 1 2 299.371 -1.241 20 0 CAADLO CNS(=O)(=O)[C@H]1CCC[N@@H+]([C@@H](C)C(=O)NC(N)=O)C1 ZINC000369289016 373238579 /nfs/dbraw/zinc/23/85/79/373238579.db2.gz WKTBTNUFKPVESY-YUMQZZPRSA-N 1 2 292.361 -1.417 20 0 CAADLO CNS(=O)(=O)[C@H]1CCC[N@H+]([C@@H](C)C(=O)NC(N)=O)C1 ZINC000369289016 373238580 /nfs/dbraw/zinc/23/85/80/373238580.db2.gz WKTBTNUFKPVESY-YUMQZZPRSA-N 1 2 292.361 -1.417 20 0 CAADLO Cn1nccc1S(=O)(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000329748163 373241742 /nfs/dbraw/zinc/24/17/42/373241742.db2.gz STJNVMKPFPOUJP-SNVBAGLBSA-N 1 2 287.389 -1.056 20 0 CAADLO Cn1nccc1S(=O)(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000329748163 373241747 /nfs/dbraw/zinc/24/17/47/373241747.db2.gz STJNVMKPFPOUJP-SNVBAGLBSA-N 1 2 287.389 -1.056 20 0 CAADLO NS(=O)(=O)N1CC[NH+](CCOCCO)CC1 ZINC000336669026 373243194 /nfs/dbraw/zinc/24/31/94/373243194.db2.gz HSGNICOKHODGDF-UHFFFAOYSA-N 1 2 253.324 -2.184 20 0 CAADLO CS(=O)(=O)NCC[N@@H+]1CCN2C(=O)CC[C@@H]2C1 ZINC000336711326 373245690 /nfs/dbraw/zinc/24/56/90/373245690.db2.gz MBBIINUPPUOZDE-SECBINFHSA-N 1 2 261.347 -1.158 20 0 CAADLO CS(=O)(=O)NCC[N@H+]1CCN2C(=O)CC[C@@H]2C1 ZINC000336711326 373245694 /nfs/dbraw/zinc/24/56/94/373245694.db2.gz MBBIINUPPUOZDE-SECBINFHSA-N 1 2 261.347 -1.158 20 0 CAADLO O=C1NC[C@H]2C[N@H+](CCOCCO)CCN2C1=O ZINC000336703573 373246376 /nfs/dbraw/zinc/24/63/76/373246376.db2.gz GZIVFOOXWNHLQK-VIFPVBQESA-N 1 2 257.290 -2.362 20 0 CAADLO O=C1NC[C@H]2C[N@@H+](CCOCCO)CCN2C1=O ZINC000336703573 373246386 /nfs/dbraw/zinc/24/63/86/373246386.db2.gz GZIVFOOXWNHLQK-VIFPVBQESA-N 1 2 257.290 -2.362 20 0 CAADLO NS(=O)(=O)N1CC[NH+](C[C@@H]2COCCO2)CC1 ZINC000336689264 373246567 /nfs/dbraw/zinc/24/65/67/373246567.db2.gz HKMUUUCNPRBNCL-SECBINFHSA-N 1 2 265.335 -1.777 20 0 CAADLO CS(=O)(=O)N1CC[NH+](C[C@H]2COCCO2)CC1 ZINC000336715808 373246742 /nfs/dbraw/zinc/24/67/42/373246742.db2.gz UYDQAIMJFUNRHB-JTQLQIEISA-N 1 2 264.347 -1.021 20 0 CAADLO CS(=O)(=O)N1CC[C@@H](C[N@@H+]2CCNC(=O)C2)C1 ZINC000338235689 373278222 /nfs/dbraw/zinc/27/82/22/373278222.db2.gz QXUDLKZHUBEQBK-VIFPVBQESA-N 1 2 261.347 -1.300 20 0 CAADLO CS(=O)(=O)N1CC[C@@H](C[N@H+]2CCNC(=O)C2)C1 ZINC000338235689 373278229 /nfs/dbraw/zinc/27/82/29/373278229.db2.gz QXUDLKZHUBEQBK-VIFPVBQESA-N 1 2 261.347 -1.300 20 0 CAADLO CS(=O)(=O)N[C@@H]1CC[N@@H+]([C@@H]2CCCNC2=O)C1 ZINC000336718755 373247967 /nfs/dbraw/zinc/24/79/67/373247967.db2.gz XETGXAMMTWPDDW-RKDXNWHRSA-N 1 2 261.347 -1.112 20 0 CAADLO CS(=O)(=O)N[C@@H]1CC[N@H+]([C@@H]2CCCNC2=O)C1 ZINC000336718755 373247970 /nfs/dbraw/zinc/24/79/70/373247970.db2.gz XETGXAMMTWPDDW-RKDXNWHRSA-N 1 2 261.347 -1.112 20 0 CAADLO O=C1NC(=O)N2CCN(CCC[NH+]3CCOCC3)C[C@H]12 ZINC000336823142 373249229 /nfs/dbraw/zinc/24/92/29/373249229.db2.gz OIMKWQHIXASVCC-LLVKDONJSA-N 1 2 282.344 -1.055 20 0 CAADLO COC(=O)CNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000338368304 373278584 /nfs/dbraw/zinc/27/85/84/373278584.db2.gz PSXQWFRZPCRWAP-BBBLOLIVSA-N 1 2 272.301 -1.236 20 0 CAADLO COC(=O)CNC(=O)[C@@H](C)[N@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000338368304 373278587 /nfs/dbraw/zinc/27/85/87/373278587.db2.gz PSXQWFRZPCRWAP-BBBLOLIVSA-N 1 2 272.301 -1.236 20 0 CAADLO COCC[N@H+](CCNS(C)(=O)=O)[C@@H](C)C(N)=O ZINC000337229199 373255112 /nfs/dbraw/zinc/25/51/12/373255112.db2.gz URYVCBKHABVAIT-QMMMGPOBSA-N 1 2 267.351 -1.642 20 0 CAADLO COCC[N@@H+](CCNS(C)(=O)=O)[C@@H](C)C(N)=O ZINC000337229199 373255126 /nfs/dbraw/zinc/25/51/26/373255126.db2.gz URYVCBKHABVAIT-QMMMGPOBSA-N 1 2 267.351 -1.642 20 0 CAADLO C[N@@H+]1CCOC[C@H]1CNC(=O)N1CC[C@@H](NC(N)=O)C1 ZINC000637442061 373255227 /nfs/dbraw/zinc/25/52/27/373255227.db2.gz FKMIPZSPCMCZGA-NXEZZACHSA-N 1 2 285.348 -1.231 20 0 CAADLO C[N@H+]1CCOC[C@H]1CNC(=O)N1CC[C@@H](NC(N)=O)C1 ZINC000637442061 373255237 /nfs/dbraw/zinc/25/52/37/373255237.db2.gz FKMIPZSPCMCZGA-NXEZZACHSA-N 1 2 285.348 -1.231 20 0 CAADLO C[N@@H+]1CCOC[C@H]1CNC(=O)N1CC[C@H](NC(N)=O)C1 ZINC000637442070 373255511 /nfs/dbraw/zinc/25/55/11/373255511.db2.gz FKMIPZSPCMCZGA-VHSXEESVSA-N 1 2 285.348 -1.231 20 0 CAADLO C[N@H+]1CCOC[C@H]1CNC(=O)N1CC[C@H](NC(N)=O)C1 ZINC000637442070 373255523 /nfs/dbraw/zinc/25/55/23/373255523.db2.gz FKMIPZSPCMCZGA-VHSXEESVSA-N 1 2 285.348 -1.231 20 0 CAADLO C[C@@H](CC(N)=O)NC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000637442866 373255549 /nfs/dbraw/zinc/25/55/49/373255549.db2.gz UQCWAWVWGTYOAA-IUCAKERBSA-N 1 2 258.322 -1.120 20 0 CAADLO C[C@@H](CC(N)=O)NC(=O)NC[C@H]1COCC[N@H+]1C ZINC000637442866 373255567 /nfs/dbraw/zinc/25/55/67/373255567.db2.gz UQCWAWVWGTYOAA-IUCAKERBSA-N 1 2 258.322 -1.120 20 0 CAADLO C[N@@H+]1CCOC[C@H]1CNC(=O)N[C@@H]1COC[C@@H]1O ZINC000637440294 373255713 /nfs/dbraw/zinc/25/57/13/373255713.db2.gz JOCMTFSSLJMXRC-BBBLOLIVSA-N 1 2 259.306 -1.624 20 0 CAADLO C[N@H+]1CCOC[C@H]1CNC(=O)N[C@@H]1COC[C@@H]1O ZINC000637440294 373255722 /nfs/dbraw/zinc/25/57/22/373255722.db2.gz JOCMTFSSLJMXRC-BBBLOLIVSA-N 1 2 259.306 -1.624 20 0 CAADLO C[C@@H]1CN(C(=O)NC[C@@H]2COCC[N@@H+]2C)CC(=O)N1 ZINC000637442216 373255837 /nfs/dbraw/zinc/25/58/37/373255837.db2.gz POIFBGASJXCAAG-NXEZZACHSA-N 1 2 270.333 -1.153 20 0 CAADLO C[C@@H]1CN(C(=O)NC[C@@H]2COCC[N@H+]2C)CC(=O)N1 ZINC000637442216 373255850 /nfs/dbraw/zinc/25/58/50/373255850.db2.gz POIFBGASJXCAAG-NXEZZACHSA-N 1 2 270.333 -1.153 20 0 CAADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)N1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000637441753 373255963 /nfs/dbraw/zinc/25/59/63/373255963.db2.gz OMPRMGXOPHSVJP-LPEHRKFASA-N 1 2 296.327 -1.769 20 0 CAADLO C[N@H+]1CCOC[C@@H]1CNC(=O)N1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000637441753 373255974 /nfs/dbraw/zinc/25/59/74/373255974.db2.gz OMPRMGXOPHSVJP-LPEHRKFASA-N 1 2 296.327 -1.769 20 0 CAADLO C[C@@H]1C(=O)NCCN1C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000637441997 373256446 /nfs/dbraw/zinc/25/64/46/373256446.db2.gz CQTPAJZWOZOZCW-NXEZZACHSA-N 1 2 270.333 -1.153 20 0 CAADLO C[C@@H]1C(=O)NCCN1C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000637441997 373256450 /nfs/dbraw/zinc/25/64/50/373256450.db2.gz CQTPAJZWOZOZCW-NXEZZACHSA-N 1 2 270.333 -1.153 20 0 CAADLO C[N@@H+]1CCOC[C@H]1CNC(=O)N[C@@H]1COC[C@H]1O ZINC000637441200 373256513 /nfs/dbraw/zinc/25/65/13/373256513.db2.gz JOCMTFSSLJMXRC-OPRDCNLKSA-N 1 2 259.306 -1.624 20 0 CAADLO C[N@H+]1CCOC[C@H]1CNC(=O)N[C@@H]1COC[C@H]1O ZINC000637441200 373256516 /nfs/dbraw/zinc/25/65/16/373256516.db2.gz JOCMTFSSLJMXRC-OPRDCNLKSA-N 1 2 259.306 -1.624 20 0 CAADLO O=C(C[N@@H+]1CCC[C@@H]2C(=O)NC[C@@H]21)N1CCNC1=O ZINC000337209723 373256886 /nfs/dbraw/zinc/25/68/86/373256886.db2.gz BHEDDHFWEYIFFO-IUCAKERBSA-N 1 2 266.301 -1.251 20 0 CAADLO O=C(C[N@H+]1CCC[C@@H]2C(=O)NC[C@@H]21)N1CCNC1=O ZINC000337209723 373256894 /nfs/dbraw/zinc/25/68/94/373256894.db2.gz BHEDDHFWEYIFFO-IUCAKERBSA-N 1 2 266.301 -1.251 20 0 CAADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)N[C@@H]1COC[C@@H]1O ZINC000637440293 373257039 /nfs/dbraw/zinc/25/70/39/373257039.db2.gz JOCMTFSSLJMXRC-AEJSXWLSSA-N 1 2 259.306 -1.624 20 0 CAADLO C[N@H+]1CCOC[C@@H]1CNC(=O)N[C@@H]1COC[C@@H]1O ZINC000637440293 373257046 /nfs/dbraw/zinc/25/70/46/373257046.db2.gz JOCMTFSSLJMXRC-AEJSXWLSSA-N 1 2 259.306 -1.624 20 0 CAADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)N[C@@H]1COCC[C@H]1O ZINC000637439684 373257344 /nfs/dbraw/zinc/25/73/44/373257344.db2.gz CDUDZWZKGMWKLE-HBNTYKKESA-N 1 2 273.333 -1.234 20 0 CAADLO C[N@H+]1CCOC[C@@H]1CNC(=O)N[C@@H]1COCC[C@H]1O ZINC000637439684 373257349 /nfs/dbraw/zinc/25/73/49/373257349.db2.gz CDUDZWZKGMWKLE-HBNTYKKESA-N 1 2 273.333 -1.234 20 0 CAADLO CC[C@@H](NC(=O)NC[C@H]1COCC[N@@H+]1C)C(N)=O ZINC000637440344 373257392 /nfs/dbraw/zinc/25/73/92/373257392.db2.gz INTSOLXSRWPXMM-DTWKUNHWSA-N 1 2 258.322 -1.120 20 0 CAADLO CC[C@@H](NC(=O)NC[C@H]1COCC[N@H+]1C)C(N)=O ZINC000637440344 373257400 /nfs/dbraw/zinc/25/74/00/373257400.db2.gz INTSOLXSRWPXMM-DTWKUNHWSA-N 1 2 258.322 -1.120 20 0 CAADLO C[N@@H+]1CCOC[C@H]1CNC(=O)N1CCNC(=O)C1 ZINC000637445333 373258131 /nfs/dbraw/zinc/25/81/31/373258131.db2.gz JNFQVQZMXUVDCY-SECBINFHSA-N 1 2 256.306 -1.542 20 0 CAADLO C[N@H+]1CCOC[C@H]1CNC(=O)N1CCNC(=O)C1 ZINC000637445333 373258139 /nfs/dbraw/zinc/25/81/39/373258139.db2.gz JNFQVQZMXUVDCY-SECBINFHSA-N 1 2 256.306 -1.542 20 0 CAADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)N1C[C@@H](O)C[C@@H]1CO ZINC000637443220 373258599 /nfs/dbraw/zinc/25/85/99/373258599.db2.gz LDGRNYNQNDGBED-VWYCJHECSA-N 1 2 273.333 -1.546 20 0 CAADLO C[N@H+]1CCOC[C@@H]1CNC(=O)N1C[C@@H](O)C[C@@H]1CO ZINC000637443220 373258602 /nfs/dbraw/zinc/25/86/02/373258602.db2.gz LDGRNYNQNDGBED-VWYCJHECSA-N 1 2 273.333 -1.546 20 0 CAADLO C[N@@H+]1CCOC[C@H]1CNC(=O)N1CCO[C@@H](C(N)=O)C1 ZINC000637445879 373258944 /nfs/dbraw/zinc/25/89/44/373258944.db2.gz MRHPUZLDIIYDHB-NXEZZACHSA-N 1 2 286.332 -1.787 20 0 CAADLO C[N@H+]1CCOC[C@H]1CNC(=O)N1CCO[C@@H](C(N)=O)C1 ZINC000637445879 373258947 /nfs/dbraw/zinc/25/89/47/373258947.db2.gz MRHPUZLDIIYDHB-NXEZZACHSA-N 1 2 286.332 -1.787 20 0 CAADLO C[N@@H+]1CCOC[C@H]1CNC(=O)N1CCO[C@H](C(N)=O)C1 ZINC000637445883 373258998 /nfs/dbraw/zinc/25/89/98/373258998.db2.gz MRHPUZLDIIYDHB-ZJUUUORDSA-N 1 2 286.332 -1.787 20 0 CAADLO C[N@H+]1CCOC[C@H]1CNC(=O)N1CCO[C@H](C(N)=O)C1 ZINC000637445883 373259003 /nfs/dbraw/zinc/25/90/03/373259003.db2.gz MRHPUZLDIIYDHB-ZJUUUORDSA-N 1 2 286.332 -1.787 20 0 CAADLO CN(CCC(N)=O)C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000637443846 373259020 /nfs/dbraw/zinc/25/90/20/373259020.db2.gz ZZFXPPDABKPCFE-VIFPVBQESA-N 1 2 258.322 -1.166 20 0 CAADLO CN(CCC(N)=O)C(=O)NC[C@H]1COCC[N@H+]1C ZINC000637443846 373259024 /nfs/dbraw/zinc/25/90/24/373259024.db2.gz ZZFXPPDABKPCFE-VIFPVBQESA-N 1 2 258.322 -1.166 20 0 CAADLO C[N@@H+]1CCOC[C@H]1CNC(=O)N1C[C@H](O)C[C@H]1CO ZINC000637443217 373259038 /nfs/dbraw/zinc/25/90/38/373259038.db2.gz LDGRNYNQNDGBED-HBNTYKKESA-N 1 2 273.333 -1.546 20 0 CAADLO C[N@H+]1CCOC[C@H]1CNC(=O)N1C[C@H](O)C[C@H]1CO ZINC000637443217 373259042 /nfs/dbraw/zinc/25/90/42/373259042.db2.gz LDGRNYNQNDGBED-HBNTYKKESA-N 1 2 273.333 -1.546 20 0 CAADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)N1CCN2C(=O)NC[C@H]2C1 ZINC000637444355 373259130 /nfs/dbraw/zinc/25/91/30/373259130.db2.gz QQTMXYVMWPHRMR-QWRGUYRKSA-N 1 2 297.359 -1.264 20 0 CAADLO C[N@H+]1CCOC[C@@H]1CNC(=O)N1CCN2C(=O)NC[C@H]2C1 ZINC000637444355 373259133 /nfs/dbraw/zinc/25/91/33/373259133.db2.gz QQTMXYVMWPHRMR-QWRGUYRKSA-N 1 2 297.359 -1.264 20 0 CAADLO C[N@@H+]1CCOC[C@H]1CNC(=O)NC[C@]1(O)CCOC1 ZINC000637442753 373259145 /nfs/dbraw/zinc/25/91/45/373259145.db2.gz SEEHQHUJWFFQOO-ZYHUDNBSSA-N 1 2 273.333 -1.232 20 0 CAADLO C[N@H+]1CCOC[C@H]1CNC(=O)NC[C@]1(O)CCOC1 ZINC000637442753 373259150 /nfs/dbraw/zinc/25/91/50/373259150.db2.gz SEEHQHUJWFFQOO-ZYHUDNBSSA-N 1 2 273.333 -1.232 20 0 CAADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)N1C[C@H](O)C[C@H]1CO ZINC000637443215 373259251 /nfs/dbraw/zinc/25/92/51/373259251.db2.gz LDGRNYNQNDGBED-GARJFASQSA-N 1 2 273.333 -1.546 20 0 CAADLO C[N@H+]1CCOC[C@@H]1CNC(=O)N1C[C@H](O)C[C@H]1CO ZINC000637443215 373259255 /nfs/dbraw/zinc/25/92/55/373259255.db2.gz LDGRNYNQNDGBED-GARJFASQSA-N 1 2 273.333 -1.546 20 0 CAADLO CN(CCOCCO)C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000637443298 373259269 /nfs/dbraw/zinc/25/92/69/373259269.db2.gz WYIWMQJTXCWQAD-LLVKDONJSA-N 1 2 275.349 -1.033 20 0 CAADLO CN(CCOCCO)C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000637443298 373259271 /nfs/dbraw/zinc/25/92/71/373259271.db2.gz WYIWMQJTXCWQAD-LLVKDONJSA-N 1 2 275.349 -1.033 20 0 CAADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)N1C[C@H](O)C[C@@H]1CO ZINC000637443218 373259401 /nfs/dbraw/zinc/25/94/01/373259401.db2.gz LDGRNYNQNDGBED-OUAUKWLOSA-N 1 2 273.333 -1.546 20 0 CAADLO C[N@H+]1CCOC[C@@H]1CNC(=O)N1C[C@H](O)C[C@@H]1CO ZINC000637443218 373259403 /nfs/dbraw/zinc/25/94/03/373259403.db2.gz LDGRNYNQNDGBED-OUAUKWLOSA-N 1 2 273.333 -1.546 20 0 CAADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)N1C[C@@H](O)C[C@H]1CO ZINC000637443214 373259527 /nfs/dbraw/zinc/25/95/27/373259527.db2.gz LDGRNYNQNDGBED-DCAQKATOSA-N 1 2 273.333 -1.546 20 0 CAADLO C[N@H+]1CCOC[C@@H]1CNC(=O)N1C[C@@H](O)C[C@H]1CO ZINC000637443214 373259530 /nfs/dbraw/zinc/25/95/30/373259530.db2.gz LDGRNYNQNDGBED-DCAQKATOSA-N 1 2 273.333 -1.546 20 0 CAADLO CC(=O)CCC(=O)NCC(=O)NCC[NH+]1CCOCC1 ZINC000337492429 373261340 /nfs/dbraw/zinc/26/13/40/373261340.db2.gz GFLJWUKCKBUZLV-UHFFFAOYSA-N 1 2 285.344 -1.080 20 0 CAADLO COC(=O)CNC(=O)CC[N@@H+]1CCN(C2CC2)C(=O)C1 ZINC000337477749 373262470 /nfs/dbraw/zinc/26/24/70/373262470.db2.gz TZHGAQMOJXQBGG-UHFFFAOYSA-N 1 2 283.328 -1.028 20 0 CAADLO COC(=O)CNC(=O)CC[N@H+]1CCN(C2CC2)C(=O)C1 ZINC000337477749 373262478 /nfs/dbraw/zinc/26/24/78/373262478.db2.gz TZHGAQMOJXQBGG-UHFFFAOYSA-N 1 2 283.328 -1.028 20 0 CAADLO COCCCNC(=O)[C@H](C)[N@@H+]1CCO[C@H](C(N)=O)C1 ZINC000051105029 373266702 /nfs/dbraw/zinc/26/67/02/373266702.db2.gz VPDUCZLGPPYZAT-UWVGGRQHSA-N 1 2 273.333 -1.286 20 0 CAADLO COCCCNC(=O)[C@H](C)[N@H+]1CCO[C@H](C(N)=O)C1 ZINC000051105029 373266707 /nfs/dbraw/zinc/26/67/07/373266707.db2.gz VPDUCZLGPPYZAT-UWVGGRQHSA-N 1 2 273.333 -1.286 20 0 CAADLO CC[N@@H+]1CCO[C@@H](C(=O)N2CCO[C@H](c3nn[nH]n3)C2)C1 ZINC000365768597 373266797 /nfs/dbraw/zinc/26/67/97/373266797.db2.gz HRPNJHSOHQZASY-VHSXEESVSA-N 1 2 296.331 -1.180 20 0 CAADLO CC[N@H+]1CCO[C@@H](C(=O)N2CCO[C@H](c3nn[nH]n3)C2)C1 ZINC000365768597 373266803 /nfs/dbraw/zinc/26/68/03/373266803.db2.gz HRPNJHSOHQZASY-VHSXEESVSA-N 1 2 296.331 -1.180 20 0 CAADLO CC[N@@H+]1CCO[C@H](C(=O)N2CCO[C@@H](c3nn[nH]n3)C2)C1 ZINC000365768598 373267635 /nfs/dbraw/zinc/26/76/35/373267635.db2.gz HRPNJHSOHQZASY-ZJUUUORDSA-N 1 2 296.331 -1.180 20 0 CAADLO CC[N@H+]1CCO[C@H](C(=O)N2CCO[C@@H](c3nn[nH]n3)C2)C1 ZINC000365768598 373267643 /nfs/dbraw/zinc/26/76/43/373267643.db2.gz HRPNJHSOHQZASY-ZJUUUORDSA-N 1 2 296.331 -1.180 20 0 CAADLO CO[C@@H]1COC[C@H]1NC(=O)C[N@H+](C)CC(=O)NC(C)C ZINC000563197264 373268442 /nfs/dbraw/zinc/26/84/42/373268442.db2.gz FDSOWFSAWNIYIJ-GHMZBOCLSA-N 1 2 287.360 -1.027 20 0 CAADLO CO[C@@H]1COC[C@H]1NC(=O)C[N@@H+](C)CC(=O)NC(C)C ZINC000563197264 373268453 /nfs/dbraw/zinc/26/84/53/373268453.db2.gz FDSOWFSAWNIYIJ-GHMZBOCLSA-N 1 2 287.360 -1.027 20 0 CAADLO CN(C)S(=O)(=O)N1CC[NH+](CCOCCO)CC1 ZINC000606896280 373269940 /nfs/dbraw/zinc/26/99/40/373269940.db2.gz GOUTWPKRTNIINQ-UHFFFAOYSA-N 1 2 281.378 -1.581 20 0 CAADLO CC[C@H](C)[C@H]1CN(CC(N)=O)CC[N@@H+]1CC(N)=O ZINC000337974032 373270969 /nfs/dbraw/zinc/27/09/69/373270969.db2.gz DGBZLAAWBLOOBW-VHSXEESVSA-N 1 2 256.350 -1.011 20 0 CAADLO CC[C@H](C)[C@H]1CN(CC(N)=O)CC[N@H+]1CC(N)=O ZINC000337974032 373270977 /nfs/dbraw/zinc/27/09/77/373270977.db2.gz DGBZLAAWBLOOBW-VHSXEESVSA-N 1 2 256.350 -1.011 20 0 CAADLO O=C(C[N@@H+]1CCN2C(=O)OC[C@H]2C1)N1CCNC1=O ZINC000366246567 373287292 /nfs/dbraw/zinc/28/72/92/373287292.db2.gz MEIVEYSUTQHZTC-MRVPVSSYSA-N 1 2 268.273 -1.325 20 0 CAADLO O=C(C[N@H+]1CCN2C(=O)OC[C@H]2C1)N1CCNC1=O ZINC000366246567 373287298 /nfs/dbraw/zinc/28/72/98/373287298.db2.gz MEIVEYSUTQHZTC-MRVPVSSYSA-N 1 2 268.273 -1.325 20 0 CAADLO C[C@H](O)CNC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000339188287 373287685 /nfs/dbraw/zinc/28/76/85/373287685.db2.gz IDPKRXFCEUWNFC-RYUDHWBXSA-N 1 2 299.371 -1.336 20 0 CAADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)CNC(=O)NC)CC1 ZINC000332020976 373288397 /nfs/dbraw/zinc/28/83/97/373288397.db2.gz QSEVKMVBHWAFKX-UHFFFAOYSA-N 1 2 299.375 -1.414 20 0 CAADLO CCNC(=O)C[N@H+]1CCCN(C(=O)CNC(=O)NC)CC1 ZINC000332020976 373288408 /nfs/dbraw/zinc/28/84/08/373288408.db2.gz QSEVKMVBHWAFKX-UHFFFAOYSA-N 1 2 299.375 -1.414 20 0 CAADLO CNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@H]2CCS(=O)(=O)[C@H]2C1 ZINC000353117296 373288585 /nfs/dbraw/zinc/28/85/85/373288585.db2.gz IJZZECTZZUOFJT-YIZRAAEISA-N 1 2 289.357 -1.051 20 0 CAADLO CNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@H]2CCS(=O)(=O)[C@H]2C1 ZINC000353117296 373288598 /nfs/dbraw/zinc/28/85/98/373288598.db2.gz IJZZECTZZUOFJT-YIZRAAEISA-N 1 2 289.357 -1.051 20 0 CAADLO COCCCNC(=O)C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000339486143 373293649 /nfs/dbraw/zinc/29/36/49/373293649.db2.gz GXNRMNTXIVOPRD-LLVKDONJSA-N 1 2 287.360 -1.024 20 0 CAADLO COCCCNC(=O)C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000339486143 373293656 /nfs/dbraw/zinc/29/36/56/373293656.db2.gz GXNRMNTXIVOPRD-LLVKDONJSA-N 1 2 287.360 -1.024 20 0 CAADLO COCCCNC(=O)C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000339486144 373294534 /nfs/dbraw/zinc/29/45/34/373294534.db2.gz GXNRMNTXIVOPRD-NSHDSACASA-N 1 2 287.360 -1.024 20 0 CAADLO COCCCNC(=O)C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000339486144 373294539 /nfs/dbraw/zinc/29/45/39/373294539.db2.gz GXNRMNTXIVOPRD-NSHDSACASA-N 1 2 287.360 -1.024 20 0 CAADLO COCCOCCNC(=O)C(=O)NCCn1cc[nH+]c1 ZINC000339708291 373295443 /nfs/dbraw/zinc/29/54/43/373295443.db2.gz KGJPROBTHFNKLC-UHFFFAOYSA-N 1 2 284.316 -1.222 20 0 CAADLO O=C(NCCn1cc[nH+]c1)C(=O)N1CCC[C@H]1CO ZINC000339708027 373295534 /nfs/dbraw/zinc/29/55/34/373295534.db2.gz IPUZVRFEYXCDQC-JTQLQIEISA-N 1 2 266.301 -1.017 20 0 CAADLO O=C(NCCn1cc[nH+]c1)C(=O)N(CCO)C1CC1 ZINC000339711844 373295788 /nfs/dbraw/zinc/29/57/88/373295788.db2.gz KKLSBDPHRMRYGK-UHFFFAOYSA-N 1 2 266.301 -1.017 20 0 CAADLO C[C@H](O)CN(C(=O)C(=O)NCCn1cc[nH+]c1)[C@@H](C)CO ZINC000339711956 373296405 /nfs/dbraw/zinc/29/64/05/373296405.db2.gz NVVMVXNPRDYBSG-QWRGUYRKSA-N 1 2 298.343 -1.411 20 0 CAADLO CC(C)NC(=O)C[N@H+](C)CC(=O)N1CC[C@@H](C(N)=O)C1 ZINC000339669908 373296631 /nfs/dbraw/zinc/29/66/31/373296631.db2.gz GPHNDZFTRXUQMP-SNVBAGLBSA-N 1 2 284.360 -1.223 20 0 CAADLO CC(C)NC(=O)C[N@@H+](C)CC(=O)N1CC[C@@H](C(N)=O)C1 ZINC000339669908 373296637 /nfs/dbraw/zinc/29/66/37/373296637.db2.gz GPHNDZFTRXUQMP-SNVBAGLBSA-N 1 2 284.360 -1.223 20 0 CAADLO CN1CCC[C@@H](NC(=O)C(=O)NCCn2cc[nH+]c2)C1=O ZINC000339709264 373296756 /nfs/dbraw/zinc/29/67/56/373296756.db2.gz AKHITIQBHCBYDC-SNVBAGLBSA-N 1 2 293.327 -1.264 20 0 CAADLO CCN(CCO)C(=O)C(=O)NCCn1cc[nH+]c1 ZINC000339710477 373297185 /nfs/dbraw/zinc/29/71/85/373297185.db2.gz GGGDGBFCPUXLRR-UHFFFAOYSA-N 1 2 254.290 -1.160 20 0 CAADLO C[C@H](CO)N(C[C@H](C)O)C(=O)C(=O)NCCn1cc[nH+]c1 ZINC000339711955 373297259 /nfs/dbraw/zinc/29/72/59/373297259.db2.gz NVVMVXNPRDYBSG-MNOVXSKESA-N 1 2 298.343 -1.411 20 0 CAADLO COc1c(N)[nH+]cnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC000563428415 373299685 /nfs/dbraw/zinc/29/96/85/373299685.db2.gz ZEPWKLBEFKNYHP-SSDOTTSWSA-N 1 2 292.299 -1.786 20 0 CAADLO COc1c(N)nc[nH+]c1N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC000563428415 373299695 /nfs/dbraw/zinc/29/96/95/373299695.db2.gz ZEPWKLBEFKNYHP-SSDOTTSWSA-N 1 2 292.299 -1.786 20 0 CAADLO COCCCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](S(N)(=O)=O)C1 ZINC000339847614 373301345 /nfs/dbraw/zinc/30/13/45/373301345.db2.gz YQOAACCJJYKHLR-VHSXEESVSA-N 1 2 293.389 -1.110 20 0 CAADLO COCCCNC(=O)[C@H](C)[N@H+]1CC[C@@H](S(N)(=O)=O)C1 ZINC000339847614 373301349 /nfs/dbraw/zinc/30/13/49/373301349.db2.gz YQOAACCJJYKHLR-VHSXEESVSA-N 1 2 293.389 -1.110 20 0 CAADLO COC[C@H](C)NC(=O)NC(=O)C[N@H+](C)CC(N)=O ZINC000051826249 373301645 /nfs/dbraw/zinc/30/16/45/373301645.db2.gz DVXLDTAKJJWSDA-ZETCQYMHSA-N 1 2 260.294 -1.736 20 0 CAADLO COC[C@H](C)NC(=O)NC(=O)C[N@@H+](C)CC(N)=O ZINC000051826249 373301652 /nfs/dbraw/zinc/30/16/52/373301652.db2.gz DVXLDTAKJJWSDA-ZETCQYMHSA-N 1 2 260.294 -1.736 20 0 CAADLO COC[C@H](CO)NC(=O)NCC[NH+]1CCOCC1 ZINC000353145301 373302036 /nfs/dbraw/zinc/30/20/36/373302036.db2.gz UOCLXAZTSRKKIC-JTQLQIEISA-N 1 2 261.322 -1.375 20 0 CAADLO NS(=O)(=O)[C@H]1CC[N@H+](CC(=O)NC(=O)NC2CC2)C1 ZINC000339839923 373302478 /nfs/dbraw/zinc/30/24/78/373302478.db2.gz HEJJDRCZVAAGDT-QMMMGPOBSA-N 1 2 290.345 -1.663 20 0 CAADLO NS(=O)(=O)[C@H]1CC[N@@H+](CC(=O)NC(=O)NC2CC2)C1 ZINC000339839923 373302489 /nfs/dbraw/zinc/30/24/89/373302489.db2.gz HEJJDRCZVAAGDT-QMMMGPOBSA-N 1 2 290.345 -1.663 20 0 CAADLO COC(=O)CC[NH+]1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC000051915489 373302781 /nfs/dbraw/zinc/30/27/81/373302781.db2.gz NRZIVIULZFRFSX-UHFFFAOYSA-N 1 2 283.328 -1.028 20 0 CAADLO CNC(=O)[C@@H]1CCCC[N@@H+]1CC(=O)NCC(=O)OC ZINC000264306355 373315828 /nfs/dbraw/zinc/31/58/28/373315828.db2.gz XDRXNUGXELOOGW-VIFPVBQESA-N 1 2 271.317 -1.124 20 0 CAADLO CNC(=O)[C@@H]1CCCC[N@H+]1CC(=O)NCC(=O)OC ZINC000264306355 373315832 /nfs/dbraw/zinc/31/58/32/373315832.db2.gz XDRXNUGXELOOGW-VIFPVBQESA-N 1 2 271.317 -1.124 20 0 CAADLO CNC(=O)[C@H]1CCCC[N@@H+]1CC(=O)NCC(=O)OC ZINC000264306353 373317511 /nfs/dbraw/zinc/31/75/11/373317511.db2.gz XDRXNUGXELOOGW-SECBINFHSA-N 1 2 271.317 -1.124 20 0 CAADLO CNC(=O)[C@H]1CCCC[N@H+]1CC(=O)NCC(=O)OC ZINC000264306353 373317517 /nfs/dbraw/zinc/31/75/17/373317517.db2.gz XDRXNUGXELOOGW-SECBINFHSA-N 1 2 271.317 -1.124 20 0 CAADLO CC(C)(C(N)=O)[NH+]1CCN(C(=O)Cn2cnnn2)CC1 ZINC000266726369 373321006 /nfs/dbraw/zinc/32/10/06/373321006.db2.gz NHOQATOHZUOCNU-UHFFFAOYSA-N 1 2 281.320 -1.919 20 0 CAADLO COC(=O)CCC[N@@H+]1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC000267489160 373321815 /nfs/dbraw/zinc/32/18/15/373321815.db2.gz VLEPACNUTHPVMJ-VIFPVBQESA-N 1 2 269.301 -1.418 20 0 CAADLO COC(=O)CCC[N@H+]1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC000267489160 373321829 /nfs/dbraw/zinc/32/18/29/373321829.db2.gz VLEPACNUTHPVMJ-VIFPVBQESA-N 1 2 269.301 -1.418 20 0 CAADLO COC(=O)CNC(=O)[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000268482683 373324896 /nfs/dbraw/zinc/32/48/96/373324896.db2.gz SISMMJSTVMVXJU-HRDYMLBCSA-N 1 2 287.316 -1.761 20 0 CAADLO COC(=O)CNC(=O)[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000268482683 373324905 /nfs/dbraw/zinc/32/49/05/373324905.db2.gz SISMMJSTVMVXJU-HRDYMLBCSA-N 1 2 287.316 -1.761 20 0 CAADLO COC(=O)CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000268482685 373326462 /nfs/dbraw/zinc/32/64/62/373326462.db2.gz SISMMJSTVMVXJU-IWSPIJDZSA-N 1 2 287.316 -1.761 20 0 CAADLO COC(=O)CNC(=O)[C@@H](C)[N@H+]1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000268482685 373326467 /nfs/dbraw/zinc/32/64/67/373326467.db2.gz SISMMJSTVMVXJU-IWSPIJDZSA-N 1 2 287.316 -1.761 20 0 CAADLO CCOC(=O)CC[N@@H+]1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC000269042017 373327850 /nfs/dbraw/zinc/32/78/50/373327850.db2.gz VRBOVVQKKPMURG-VIFPVBQESA-N 1 2 269.301 -1.418 20 0 CAADLO CCOC(=O)CC[N@H+]1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC000269042017 373327861 /nfs/dbraw/zinc/32/78/61/373327861.db2.gz VRBOVVQKKPMURG-VIFPVBQESA-N 1 2 269.301 -1.418 20 0 CAADLO CC(C)NC(=O)C[N@H+](C)CC(=O)NCCn1ncnn1 ZINC000338960340 373284967 /nfs/dbraw/zinc/28/49/67/373284967.db2.gz CKGAGLBTRSEFTA-UHFFFAOYSA-N 1 2 283.336 -1.754 20 0 CAADLO CC(C)NC(=O)C[N@@H+](C)CC(=O)NCCn1ncnn1 ZINC000338960340 373284972 /nfs/dbraw/zinc/28/49/72/373284972.db2.gz CKGAGLBTRSEFTA-UHFFFAOYSA-N 1 2 283.336 -1.754 20 0 CAADLO CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)[C@H](C)[NH+](C)C ZINC000617885345 373285039 /nfs/dbraw/zinc/28/50/39/373285039.db2.gz RCSUJNYCKIBJNN-YIZRAAEISA-N 1 2 264.347 -1.135 20 0 CAADLO COC(=O)[C@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@@H](C)O1 ZINC000282405082 373374343 /nfs/dbraw/zinc/37/43/43/373374343.db2.gz IAGXGFNDYLUYKU-RKDXNWHRSA-N 1 2 285.300 -1.200 20 0 CAADLO COC(=O)[C@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@@H](C)O1 ZINC000282405082 373374352 /nfs/dbraw/zinc/37/43/52/373374352.db2.gz IAGXGFNDYLUYKU-RKDXNWHRSA-N 1 2 285.300 -1.200 20 0 CAADLO C[C@@H](CN1CCOCC1)NC(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000638068502 373375742 /nfs/dbraw/zinc/37/57/42/373375742.db2.gz CDVDUTOJYCOVFV-RYUDHWBXSA-N 1 2 298.387 -1.356 20 0 CAADLO C[C@@H]1C[N@H+](Cc2cn(C)c(=O)n(C)c2=O)CC(=O)N1C ZINC000282433973 373375999 /nfs/dbraw/zinc/37/59/99/373375999.db2.gz FMMKHNMQIOEHQV-SECBINFHSA-N 1 2 280.328 -1.254 20 0 CAADLO C[C@@H]1C[N@@H+](Cc2cn(C)c(=O)n(C)c2=O)CC(=O)N1C ZINC000282433973 373376008 /nfs/dbraw/zinc/37/60/08/373376008.db2.gz FMMKHNMQIOEHQV-SECBINFHSA-N 1 2 280.328 -1.254 20 0 CAADLO CC[N@H+](CC(=O)NCCC(=O)OC)[C@H]1CCNC1=O ZINC000282530284 373376481 /nfs/dbraw/zinc/37/64/81/373376481.db2.gz YYFPQWAEHNXWFI-VIFPVBQESA-N 1 2 271.317 -1.124 20 0 CAADLO CC[N@@H+](CC(=O)NCCC(=O)OC)[C@H]1CCNC1=O ZINC000282530284 373376484 /nfs/dbraw/zinc/37/64/84/373376484.db2.gz YYFPQWAEHNXWFI-VIFPVBQESA-N 1 2 271.317 -1.124 20 0 CAADLO C[C@H]1C[N@H+](Cc2cn(C)c(=O)n(C)c2=O)CC(=O)N1C ZINC000282433981 373376676 /nfs/dbraw/zinc/37/66/76/373376676.db2.gz FMMKHNMQIOEHQV-VIFPVBQESA-N 1 2 280.328 -1.254 20 0 CAADLO C[C@H]1C[N@@H+](Cc2cn(C)c(=O)n(C)c2=O)CC(=O)N1C ZINC000282433981 373376680 /nfs/dbraw/zinc/37/66/80/373376680.db2.gz FMMKHNMQIOEHQV-VIFPVBQESA-N 1 2 280.328 -1.254 20 0 CAADLO COC(=O)N(C)CC(=O)NCCC[N@@H+]1CCNC(=O)C1 ZINC000269934809 373331424 /nfs/dbraw/zinc/33/14/24/373331424.db2.gz QHDZAOJYMXJQSW-UHFFFAOYSA-N 1 2 286.332 -1.377 20 0 CAADLO COC(=O)N(C)CC(=O)NCCC[N@H+]1CCNC(=O)C1 ZINC000269934809 373331430 /nfs/dbraw/zinc/33/14/30/373331430.db2.gz QHDZAOJYMXJQSW-UHFFFAOYSA-N 1 2 286.332 -1.377 20 0 CAADLO Cn1nccc1C(=O)NCCC[N@@H+]1CCNC(=O)C1 ZINC000269880430 373331633 /nfs/dbraw/zinc/33/16/33/373331633.db2.gz ACHPVGKEQXLLPH-UHFFFAOYSA-N 1 2 265.317 -1.028 20 0 CAADLO Cn1nccc1C(=O)NCCC[N@H+]1CCNC(=O)C1 ZINC000269880430 373331640 /nfs/dbraw/zinc/33/16/40/373331640.db2.gz ACHPVGKEQXLLPH-UHFFFAOYSA-N 1 2 265.317 -1.028 20 0 CAADLO NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)c1nc[nH]n1 ZINC000269559269 373332073 /nfs/dbraw/zinc/33/20/73/373332073.db2.gz QKDMNNXPEAFRNL-MRVPVSSYSA-N 1 2 266.305 -1.126 20 0 CAADLO NC(=O)[C@H]1CCC[N@H+]1CCCNC(=O)c1nc[nH]n1 ZINC000269559269 373332083 /nfs/dbraw/zinc/33/20/83/373332083.db2.gz QKDMNNXPEAFRNL-MRVPVSSYSA-N 1 2 266.305 -1.126 20 0 CAADLO CCCNC(=O)NC(=O)C[N@@H+]1CC[C@H](NC(N)=O)C1 ZINC000270607919 373333713 /nfs/dbraw/zinc/33/37/13/373333713.db2.gz HULJCVFUFAQHKH-QMMMGPOBSA-N 1 2 271.321 -1.035 20 0 CAADLO CCCNC(=O)NC(=O)C[N@H+]1CC[C@H](NC(N)=O)C1 ZINC000270607919 373333716 /nfs/dbraw/zinc/33/37/16/373333716.db2.gz HULJCVFUFAQHKH-QMMMGPOBSA-N 1 2 271.321 -1.035 20 0 CAADLO CCOC(=O)CN(C)C(=O)C[N@@H+]1CC[C@H](NC(N)=O)C1 ZINC000270578790 373333820 /nfs/dbraw/zinc/33/38/20/373333820.db2.gz CIQBMGHPBCUFBY-VIFPVBQESA-N 1 2 286.332 -1.250 20 0 CAADLO CCOC(=O)CN(C)C(=O)C[N@H+]1CC[C@H](NC(N)=O)C1 ZINC000270578790 373333827 /nfs/dbraw/zinc/33/38/27/373333827.db2.gz CIQBMGHPBCUFBY-VIFPVBQESA-N 1 2 286.332 -1.250 20 0 CAADLO O=C(NCCC[N@@H+]1CCNC(=O)C1)c1ccn[nH]1 ZINC000270742200 373334507 /nfs/dbraw/zinc/33/45/07/373334507.db2.gz LJYZFBDZGFIXJA-UHFFFAOYSA-N 1 2 251.290 -1.039 20 0 CAADLO O=C(NCCC[N@H+]1CCNC(=O)C1)c1ccn[nH]1 ZINC000270742200 373334513 /nfs/dbraw/zinc/33/45/13/373334513.db2.gz LJYZFBDZGFIXJA-UHFFFAOYSA-N 1 2 251.290 -1.039 20 0 CAADLO COC(=O)CNC(=O)C[N@H+](C)CCNC(=O)C(C)C ZINC000271244311 373336670 /nfs/dbraw/zinc/33/66/70/373336670.db2.gz PYFDJOCAZYLACB-UHFFFAOYSA-N 1 2 273.333 -1.020 20 0 CAADLO COC(=O)CNC(=O)C[N@@H+](C)CCNC(=O)C(C)C ZINC000271244311 373336673 /nfs/dbraw/zinc/33/66/73/373336673.db2.gz PYFDJOCAZYLACB-UHFFFAOYSA-N 1 2 273.333 -1.020 20 0 CAADLO COC(=O)CNC(=O)C[N@@H+]1CCCC[C@H]1C(N)=O ZINC000271822746 373339308 /nfs/dbraw/zinc/33/93/08/373339308.db2.gz NASIABWQXOZZFR-QMMMGPOBSA-N 1 2 257.290 -1.385 20 0 CAADLO COC(=O)CNC(=O)C[N@H+]1CCCC[C@H]1C(N)=O ZINC000271822746 373339313 /nfs/dbraw/zinc/33/93/13/373339313.db2.gz NASIABWQXOZZFR-QMMMGPOBSA-N 1 2 257.290 -1.385 20 0 CAADLO CC(C)(C(N)=O)[NH+]1CCN(Cc2nc(=O)[nH][nH]2)CC1 ZINC000271586915 373339372 /nfs/dbraw/zinc/33/93/72/373339372.db2.gz DQAUHBCUSOFASZ-UHFFFAOYSA-N 1 2 268.321 -1.521 20 0 CAADLO COCC[NH+]1CCN(C(=O)[C@H](C)N2CCNCC2=O)CC1 ZINC000638056894 373377673 /nfs/dbraw/zinc/37/76/73/373377673.db2.gz OGWOHKZYLWSAOX-LBPRGKRZSA-N 1 2 298.387 -1.403 20 0 CAADLO CCN1CC[N@H+](CCC(=O)NC(=O)NC)CC1=O ZINC000273442713 373344590 /nfs/dbraw/zinc/34/45/90/373344590.db2.gz NROMPEXJUVPNBC-UHFFFAOYSA-N 1 2 256.306 -1.004 20 0 CAADLO CCN1CC[N@@H+](CCC(=O)NC(=O)NC)CC1=O ZINC000273442713 373344603 /nfs/dbraw/zinc/34/46/03/373344603.db2.gz NROMPEXJUVPNBC-UHFFFAOYSA-N 1 2 256.306 -1.004 20 0 CAADLO NC(=O)NC(=O)C[N@@H+]1CC[C@@H](NC(=O)NC2CC2)C1 ZINC000274082901 373345514 /nfs/dbraw/zinc/34/55/14/373345514.db2.gz WIGNHPNWEYDTIN-MRVPVSSYSA-N 1 2 269.305 -1.283 20 0 CAADLO NC(=O)NC(=O)C[N@H+]1CC[C@@H](NC(=O)NC2CC2)C1 ZINC000274082901 373345522 /nfs/dbraw/zinc/34/55/22/373345522.db2.gz WIGNHPNWEYDTIN-MRVPVSSYSA-N 1 2 269.305 -1.283 20 0 CAADLO CNC(=O)NC(=O)CC[N@@H+]1CCC[C@@H](O)[C@@H]1C(=O)OC ZINC000275533630 373347212 /nfs/dbraw/zinc/34/72/12/373347212.db2.gz KRYCCDHJYJQXLN-PSASIEDQSA-N 1 2 287.316 -1.170 20 0 CAADLO CNC(=O)NC(=O)CC[N@H+]1CCC[C@@H](O)[C@@H]1C(=O)OC ZINC000275533630 373347223 /nfs/dbraw/zinc/34/72/23/373347223.db2.gz KRYCCDHJYJQXLN-PSASIEDQSA-N 1 2 287.316 -1.170 20 0 CAADLO CNC(=O)NC(=O)CC[N@@H+]1CCC[C@@H](O)[C@H]1C(=O)OC ZINC000275533631 373347349 /nfs/dbraw/zinc/34/73/49/373347349.db2.gz KRYCCDHJYJQXLN-SCZZXKLOSA-N 1 2 287.316 -1.170 20 0 CAADLO CNC(=O)NC(=O)CC[N@H+]1CCC[C@@H](O)[C@H]1C(=O)OC ZINC000275533631 373347353 /nfs/dbraw/zinc/34/73/53/373347353.db2.gz KRYCCDHJYJQXLN-SCZZXKLOSA-N 1 2 287.316 -1.170 20 0 CAADLO CCC[N@H+](CC(=O)NCC(=O)OC)[C@@H]1CC(=O)N(C)C1=O ZINC000282489675 373377729 /nfs/dbraw/zinc/37/77/29/373377729.db2.gz MKCNBLWFOIINGI-SECBINFHSA-N 1 2 299.327 -1.255 20 0 CAADLO CCC[N@@H+](CC(=O)NCC(=O)OC)[C@@H]1CC(=O)N(C)C1=O ZINC000282489675 373377741 /nfs/dbraw/zinc/37/77/41/373377741.db2.gz MKCNBLWFOIINGI-SECBINFHSA-N 1 2 299.327 -1.255 20 0 CAADLO CC(=O)N1CCCN(C(=O)[C@H](C)N2CC[NH2+]CC2=O)CC1 ZINC000637799092 373351182 /nfs/dbraw/zinc/35/11/82/373351182.db2.gz KCEUXLJFGJEWGV-NSHDSACASA-N 1 2 296.371 -1.113 20 0 CAADLO CC(=O)N1CCN(C(=O)[C@H](C)N2CC[NH2+]CC2=O)CC1 ZINC000637799855 373351758 /nfs/dbraw/zinc/35/17/58/373351758.db2.gz RGERQYAJOSOWEJ-JTQLQIEISA-N 1 2 282.344 -1.503 20 0 CAADLO CC(=O)N1CCN(C(=O)[C@@H](C)N2CC[NH2+]CC2=O)CC1 ZINC000637799856 373351864 /nfs/dbraw/zinc/35/18/64/373351864.db2.gz RGERQYAJOSOWEJ-SNVBAGLBSA-N 1 2 282.344 -1.503 20 0 CAADLO C[C@@H](C(=O)N1CCNC(=O)C1)N1CC[NH2+]CC1=O ZINC000637880166 373357565 /nfs/dbraw/zinc/35/75/65/373357565.db2.gz CWSKQSSFAXKXLR-QMMMGPOBSA-N 1 2 254.290 -2.235 20 0 CAADLO CC(C)NC(=O)CN(C)C(=O)[C@@H](C)N1CC[NH2+]CC1=O ZINC000637892457 373359049 /nfs/dbraw/zinc/35/90/49/373359049.db2.gz LGPVRDSWWYKSEQ-SNVBAGLBSA-N 1 2 284.360 -1.210 20 0 CAADLO CCNC(=O)CN(CC)C(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000637926026 373359581 /nfs/dbraw/zinc/35/95/81/373359581.db2.gz HOSYSYJSTACQKL-JTQLQIEISA-N 1 2 284.360 -1.209 20 0 CAADLO C[C@H](C(=O)N(C)CC(=O)NC1CC1)N1CC[NH2+]CC1=O ZINC000637893961 373359825 /nfs/dbraw/zinc/35/98/25/373359825.db2.gz YWBQSMRUORISCR-SECBINFHSA-N 1 2 282.344 -1.456 20 0 CAADLO CC(C)NC(=O)CN(C)C(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000637892456 373360070 /nfs/dbraw/zinc/36/00/70/373360070.db2.gz LGPVRDSWWYKSEQ-JTQLQIEISA-N 1 2 284.360 -1.210 20 0 CAADLO CCNC(=O)CN(CC)C(=O)[C@@H](C)N1CC[NH2+]CC1=O ZINC000637926027 373360343 /nfs/dbraw/zinc/36/03/43/373360343.db2.gz HOSYSYJSTACQKL-SNVBAGLBSA-N 1 2 284.360 -1.209 20 0 CAADLO C[C@@H](C(=O)NCC(=O)N(C)C)N1CC[NH2+]CC1=O ZINC000637890421 373360454 /nfs/dbraw/zinc/36/04/54/373360454.db2.gz UONPXGWGXCHCSM-QMMMGPOBSA-N 1 2 256.306 -1.989 20 0 CAADLO CC(C)NC(=O)CNC(=O)[C@@H](C)N1CC[NH2+]CC1=O ZINC000637892103 373360623 /nfs/dbraw/zinc/36/06/23/373360623.db2.gz OCQVBVQTNUKIPC-SECBINFHSA-N 1 2 270.333 -1.553 20 0 CAADLO CC(=O)NCCCNC(=O)[C@@H](C)N1CC[NH2+]CC1=O ZINC000637923656 373360775 /nfs/dbraw/zinc/36/07/75/373360775.db2.gz AFVLWZBGNASKGY-SECBINFHSA-N 1 2 270.333 -1.551 20 0 CAADLO CNC(=O)[C@H]1CCCCN1C(=O)[C@@H](C)N1CC[NH2+]CC1=O ZINC000637927308 373361767 /nfs/dbraw/zinc/36/17/67/373361767.db2.gz UVWFFHVXYJYZPK-GHMZBOCLSA-N 1 2 296.371 -1.066 20 0 CAADLO C[C@H](C(=O)N1C[C@@H](C(N)=O)CC[C@H]1C)N1CC[NH2+]CC1=O ZINC000637927586 373362132 /nfs/dbraw/zinc/36/21/32/373362132.db2.gz PVDXTLBMRBQTKL-MXWKQRLJSA-N 1 2 296.371 -1.081 20 0 CAADLO C[C@H](C(=O)N1C[C@H](C(N)=O)CC[C@H]1C)N1CC[NH2+]CC1=O ZINC000637927574 373362411 /nfs/dbraw/zinc/36/24/11/373362411.db2.gz PVDXTLBMRBQTKL-GMTAPVOTSA-N 1 2 296.371 -1.081 20 0 CAADLO COCCOCCNC(=O)[C@@H](C)N1CC[NH2+]CC1=O ZINC000637933228 373362582 /nfs/dbraw/zinc/36/25/82/373362582.db2.gz DRYZIKIBKUOIFB-SNVBAGLBSA-N 1 2 273.333 -1.414 20 0 CAADLO C[C@@H](C(=O)N[C@H]1CC(=O)N(C)C1)N1CC[NH2+]CC1=O ZINC000637961959 373362943 /nfs/dbraw/zinc/36/29/43/373362943.db2.gz QLUFZNKAYBQLHI-IUCAKERBSA-N 1 2 268.317 -1.846 20 0 CAADLO CCNC(=O)CN(C)C(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000637935517 373363028 /nfs/dbraw/zinc/36/30/28/373363028.db2.gz LQFNKQQSRQPQKB-VIFPVBQESA-N 1 2 270.333 -1.599 20 0 CAADLO C[C@@H](C(=O)N1CCC(CC(N)=O)CC1)N1CC[NH2+]CC1=O ZINC000637926568 373363160 /nfs/dbraw/zinc/36/31/60/373363160.db2.gz HTWSBSICINPCEC-JTQLQIEISA-N 1 2 296.371 -1.079 20 0 CAADLO CCCCN(CC(N)=O)C(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000637933897 373363334 /nfs/dbraw/zinc/36/33/34/373363334.db2.gz QJLLAAOLDUPGRN-JTQLQIEISA-N 1 2 284.360 -1.079 20 0 CAADLO C[C@H](CN1CCCC1=O)NC(=O)[C@@H](C)N1CC[NH2+]CC1=O ZINC000637939812 373363350 /nfs/dbraw/zinc/36/33/50/373363350.db2.gz RIIGUUGWMMPLNY-GHMZBOCLSA-N 1 2 296.371 -1.066 20 0 CAADLO CNC(=O)CCNC(=O)[C@@H](C)N1CC[NH2+]CC1=O ZINC000637933621 373363489 /nfs/dbraw/zinc/36/34/89/373363489.db2.gz CPHOUIHLCBTVFT-MRVPVSSYSA-N 1 2 256.306 -1.941 20 0 CAADLO CNC(=O)[C@@H]1CCCN1C(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000637938436 373363595 /nfs/dbraw/zinc/36/35/95/373363595.db2.gz XWJSENPFDCNCRV-UWVGGRQHSA-N 1 2 282.344 -1.456 20 0 CAADLO CC(C)CN(CC(N)=O)C(=O)[C@@H](C)N1CC[NH2+]CC1=O ZINC000637930594 373363646 /nfs/dbraw/zinc/36/36/46/373363646.db2.gz ZVVBIFVZLVJGMN-SNVBAGLBSA-N 1 2 284.360 -1.223 20 0 CAADLO CC(C)N1CC[C@@H](NC(=O)[C@@H](C)N2CC[NH2+]CC2=O)C1=O ZINC000637999918 373364865 /nfs/dbraw/zinc/36/48/65/373364865.db2.gz LMQXURWJPPDFSZ-GHMZBOCLSA-N 1 2 296.371 -1.068 20 0 CAADLO C[C@H](CS(C)(=O)=O)NC(=O)[C@@H](C)N1CC[NH2+]CC1=O ZINC000638001604 373365453 /nfs/dbraw/zinc/36/54/53/373365453.db2.gz WPHQCHJLPWFAPQ-RKDXNWHRSA-N 1 2 291.373 -1.644 20 0 CAADLO C[C@H](C(=O)N1CCS(=O)(=O)CC1)N1CC[NH2+]CC1=O ZINC000637978174 373365479 /nfs/dbraw/zinc/36/54/79/373365479.db2.gz MRLNPACDIGURMI-SECBINFHSA-N 1 2 289.357 -1.936 20 0 CAADLO C[C@@H](C(=O)NCCOC[C@H]1CCOC1)N1CC[NH2+]CC1=O ZINC000637983046 373365566 /nfs/dbraw/zinc/36/55/66/373365566.db2.gz KUEKQYUZUSNGQT-RYUDHWBXSA-N 1 2 299.371 -1.024 20 0 CAADLO CC(C)[C@@H]1C(=O)NCCN1C(=O)[C@@H](C)N1CC[NH2+]CC1=O ZINC000637981169 373365905 /nfs/dbraw/zinc/36/59/05/373365905.db2.gz XTBCUNXQTFEPGA-ZYHUDNBSSA-N 1 2 296.371 -1.210 20 0 CAADLO CNC(=O)CCN(C)C(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000637979280 373366045 /nfs/dbraw/zinc/36/60/45/373366045.db2.gz SAMVQBPPSBRQNV-VIFPVBQESA-N 1 2 270.333 -1.599 20 0 CAADLO C[C@H](C(=O)N[C@H]1CCC(=O)N(C)C1)N1CC[NH2+]CC1=O ZINC000637996386 373366139 /nfs/dbraw/zinc/36/61/39/373366139.db2.gz IUZKXPDNSFIQKB-ZJUUUORDSA-N 1 2 282.344 -1.456 20 0 CAADLO CC[C@@H]1C(=O)NCCN1C(=O)[C@@H](C)N1CC[NH2+]CC1=O ZINC000637977846 373366313 /nfs/dbraw/zinc/36/63/13/373366313.db2.gz FMEKNKWTLSJCJN-NXEZZACHSA-N 1 2 282.344 -1.456 20 0 CAADLO CC[C@H]1C(=O)NCCN1C(=O)[C@@H](C)N1CC[NH2+]CC1=O ZINC000637977852 373366342 /nfs/dbraw/zinc/36/63/42/373366342.db2.gz FMEKNKWTLSJCJN-ZJUUUORDSA-N 1 2 282.344 -1.456 20 0 CAADLO C[C@@H](C(=O)NCCN1C(=O)CCC1=O)N1CC[NH2+]CC1=O ZINC000638003006 373367120 /nfs/dbraw/zinc/36/71/20/373367120.db2.gz YSPHBFWEGGHYQZ-VIFPVBQESA-N 1 2 296.327 -1.928 20 0 CAADLO C[C@H](C(=O)N1CCN(C)C(=O)C1)N1CC[NH2+]CC1=O ZINC000638004623 373367624 /nfs/dbraw/zinc/36/76/24/373367624.db2.gz SVDAGBOLPNWUGA-SECBINFHSA-N 1 2 268.317 -1.893 20 0 CAADLO COC[C@H]1CN(C(=O)[C@@H](C)N2CC[NH2+]CC2=O)CCO1 ZINC000638007541 373367937 /nfs/dbraw/zinc/36/79/37/373367937.db2.gz RWZCXNVSIUINHM-GHMZBOCLSA-N 1 2 285.344 -1.320 20 0 CAADLO C[C@@H](C(=O)N1CCN(C)C(=O)C1(C)C)N1CC[NH2+]CC1=O ZINC000638015361 373368217 /nfs/dbraw/zinc/36/82/17/373368217.db2.gz NIHKHKLRJFWDMW-JTQLQIEISA-N 1 2 296.371 -1.114 20 0 CAADLO COC[C@@H]1CN(C(=O)[C@H](C)N2CC[NH2+]CC2=O)CCO1 ZINC000638007543 373368554 /nfs/dbraw/zinc/36/85/54/373368554.db2.gz RWZCXNVSIUINHM-QWRGUYRKSA-N 1 2 285.344 -1.320 20 0 CAADLO C[C@H](C(=O)N[C@H]1CC(=O)N(C2CC2)C1)N1CC[NH2+]CC1=O ZINC000638004406 373368870 /nfs/dbraw/zinc/36/88/70/373368870.db2.gz ZBEBHBOIMJLKDX-ZJUUUORDSA-N 1 2 294.355 -1.314 20 0 CAADLO C[C@H](C(=O)N[C@H]1CCCN(C)C1=O)N1CC[NH2+]CC1=O ZINC000638004775 373368897 /nfs/dbraw/zinc/36/88/97/373368897.db2.gz GXMYIWDOWSSLLO-ZJUUUORDSA-N 1 2 282.344 -1.456 20 0 CAADLO C[C@@H](C(=O)N[C@@H]1CC(=O)N(C2CC2)C1)N1CC[NH2+]CC1=O ZINC000638004405 373368940 /nfs/dbraw/zinc/36/89/40/373368940.db2.gz ZBEBHBOIMJLKDX-VHSXEESVSA-N 1 2 294.355 -1.314 20 0 CAADLO CNC(=O)NC(=O)CC[N@H+]1CC(=O)N(C)[C@H](C)C1 ZINC000282101672 373370474 /nfs/dbraw/zinc/37/04/74/373370474.db2.gz IRBGKOFVGOVDLR-MRVPVSSYSA-N 1 2 256.306 -1.005 20 0 CAADLO CNC(=O)NC(=O)CC[N@@H+]1CC(=O)N(C)[C@H](C)C1 ZINC000282101672 373370490 /nfs/dbraw/zinc/37/04/90/373370490.db2.gz IRBGKOFVGOVDLR-MRVPVSSYSA-N 1 2 256.306 -1.005 20 0 CAADLO CCC(=O)N1CC[C@@H](NC(=O)[C@@H](C)N2CC[NH2+]CC2=O)C1 ZINC000638033058 373371306 /nfs/dbraw/zinc/37/13/06/373371306.db2.gz YGGXGFOZFRTHOG-GHMZBOCLSA-N 1 2 296.371 -1.066 20 0 CAADLO C[C@@H](C(=O)N1CCC[C@@H](CC(N)=O)C1)N1CC[NH2+]CC1=O ZINC000638031687 373371347 /nfs/dbraw/zinc/37/13/47/373371347.db2.gz TYHVAUUKFHALAG-QWRGUYRKSA-N 1 2 296.371 -1.079 20 0 CAADLO CNC(=O)[C@H](C)CN(C)C(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000638039910 373371579 /nfs/dbraw/zinc/37/15/79/373371579.db2.gz FVSPJDMLEIPCSB-ZJUUUORDSA-N 1 2 284.360 -1.353 20 0 CAADLO CNC(=O)NC(=O)CC[N@H+]1CC(=O)N(C)[C@@H](C)C1 ZINC000282101674 373371713 /nfs/dbraw/zinc/37/17/13/373371713.db2.gz IRBGKOFVGOVDLR-QMMMGPOBSA-N 1 2 256.306 -1.005 20 0 CAADLO CNC(=O)NC(=O)CC[N@@H+]1CC(=O)N(C)[C@@H](C)C1 ZINC000282101674 373371719 /nfs/dbraw/zinc/37/17/19/373371719.db2.gz IRBGKOFVGOVDLR-QMMMGPOBSA-N 1 2 256.306 -1.005 20 0 CAADLO C[C@@H](NC(=O)[C@H](C)N1CC[NH2+]CC1=O)C(=O)N(C)C ZINC000638024290 373371777 /nfs/dbraw/zinc/37/17/77/373371777.db2.gz DPDQICXASVDLQQ-BDAKNGLRSA-N 1 2 270.333 -1.600 20 0 CAADLO C[N@H+](CC(=O)NC(=O)NC1CC1)[C@H]1CCNC1=O ZINC000340225793 373402023 /nfs/dbraw/zinc/40/20/23/373402023.db2.gz MJMMDELIPOWQJO-QMMMGPOBSA-N 1 2 254.290 -1.205 20 0 CAADLO C[N@@H+](CC(=O)NC(=O)NC1CC1)[C@H]1CCNC1=O ZINC000340225793 373402030 /nfs/dbraw/zinc/40/20/30/373402030.db2.gz MJMMDELIPOWQJO-QMMMGPOBSA-N 1 2 254.290 -1.205 20 0 CAADLO CCN1CCN(C(=O)C(=O)NCc2[nH+]ccn2C)CC1=O ZINC000286746300 373403552 /nfs/dbraw/zinc/40/35/52/373403552.db2.gz RFEPQLVUEUODOU-UHFFFAOYSA-N 1 2 293.327 -1.273 20 0 CAADLO CCOC(=O)CN(C)C(=O)C[N@H+](C)[C@H]1CCNC1=O ZINC000340226756 373403653 /nfs/dbraw/zinc/40/36/53/373403653.db2.gz UDUPRKABJLEWRZ-VIFPVBQESA-N 1 2 271.317 -1.172 20 0 CAADLO CCOC(=O)CN(C)C(=O)C[N@@H+](C)[C@H]1CCNC1=O ZINC000340226756 373403665 /nfs/dbraw/zinc/40/36/65/373403665.db2.gz UDUPRKABJLEWRZ-VIFPVBQESA-N 1 2 271.317 -1.172 20 0 CAADLO C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@H+](C)[C@@H]1CCNC1=O ZINC000340226791 373404234 /nfs/dbraw/zinc/40/42/34/373404234.db2.gz AMBWFGCFXZSPFQ-OUAUKWLOSA-N 1 2 296.371 -1.081 20 0 CAADLO C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@@H+](C)[C@@H]1CCNC1=O ZINC000340226791 373404239 /nfs/dbraw/zinc/40/42/39/373404239.db2.gz AMBWFGCFXZSPFQ-OUAUKWLOSA-N 1 2 296.371 -1.081 20 0 CAADLO C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)N1CC[NH2+]CC1=O ZINC000638271279 373405850 /nfs/dbraw/zinc/40/58/50/373405850.db2.gz OCFCAIRYPSBYBJ-ZJUUUORDSA-N 1 2 282.344 -1.469 20 0 CAADLO C[C@@H]1CN(C(=O)C(=O)NCc2[nH+]ccn2C)CC(=O)N1C ZINC000286882774 373406216 /nfs/dbraw/zinc/40/62/16/373406216.db2.gz OEQPTXYEPXFJEV-SECBINFHSA-N 1 2 293.327 -1.275 20 0 CAADLO C[C@@H](C(=O)NCC(=O)N1CCOCC1)N1CC[NH2+]CC1=O ZINC000638279567 373406436 /nfs/dbraw/zinc/40/64/36/373406436.db2.gz SPANHCMFCNPHNR-JTQLQIEISA-N 1 2 298.343 -2.218 20 0 CAADLO C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)N1CC[NH2+]CC1=O ZINC000638271276 373406476 /nfs/dbraw/zinc/40/64/76/373406476.db2.gz OCFCAIRYPSBYBJ-NXEZZACHSA-N 1 2 282.344 -1.469 20 0 CAADLO C[C@@H](C(=O)N1CCC[C@@H](C(N)=O)C1)N1CC[NH2+]CC1=O ZINC000638271278 373406678 /nfs/dbraw/zinc/40/66/78/373406678.db2.gz OCFCAIRYPSBYBJ-VHSXEESVSA-N 1 2 282.344 -1.469 20 0 CAADLO C[C@H]1CN(C(=O)C(=O)NCc2[nH+]ccn2C)CC(=O)N1C ZINC000286882776 373406860 /nfs/dbraw/zinc/40/68/60/373406860.db2.gz OEQPTXYEPXFJEV-VIFPVBQESA-N 1 2 293.327 -1.275 20 0 CAADLO C[C@H](C(=O)N(C)CCN1CCOCC1)N1CC[NH2+]CC1=O ZINC000638276995 373406933 /nfs/dbraw/zinc/40/69/33/373406933.db2.gz WBBIIBPBUWLLPS-GFCCVEGCSA-N 1 2 298.387 -1.403 20 0 CAADLO C[C@H](C[NH+]1CCOCC1)NC(=O)C(=O)N1CCC[C@@H]1CO ZINC000340254810 373407946 /nfs/dbraw/zinc/40/79/46/373407946.db2.gz ZUKHTKJDWLSLPL-VXGBXAGGSA-N 1 2 299.371 -1.193 20 0 CAADLO CC(C)Nc1nc(NC(CO)CO)nc(NCCO)[nH+]1 ZINC000287432390 373408156 /nfs/dbraw/zinc/40/81/56/373408156.db2.gz USXAKOBXVKPPOZ-UHFFFAOYSA-N 1 2 286.336 -1.139 20 0 CAADLO CC(C)Nc1nc(NCCO)[nH+]c(NC(CO)CO)n1 ZINC000287432390 373408173 /nfs/dbraw/zinc/40/81/73/373408173.db2.gz USXAKOBXVKPPOZ-UHFFFAOYSA-N 1 2 286.336 -1.139 20 0 CAADLO CC(C)Nc1nc(NCCO)nc(NC(CO)CO)[nH+]1 ZINC000287432390 373408180 /nfs/dbraw/zinc/40/81/80/373408180.db2.gz USXAKOBXVKPPOZ-UHFFFAOYSA-N 1 2 286.336 -1.139 20 0 CAADLO C[C@H](C[NH+]1CCOCC1)NC(=O)C(=O)N(C)CCCO ZINC000340256446 373408300 /nfs/dbraw/zinc/40/83/00/373408300.db2.gz RORZWTUMUDDXKF-LLVKDONJSA-N 1 2 287.360 -1.336 20 0 CAADLO CCC[C@H]1C(=O)NCCN1C(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000638291685 373408734 /nfs/dbraw/zinc/40/87/34/373408734.db2.gz TVAMCZPEZJRSCT-QWRGUYRKSA-N 1 2 296.371 -1.066 20 0 CAADLO CNC(=O)CCCN(C)C(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000638287327 373408819 /nfs/dbraw/zinc/40/88/19/373408819.db2.gz WQDGHVAGVSIKRH-JTQLQIEISA-N 1 2 284.360 -1.209 20 0 CAADLO CCn1ncnc1CNC(=O)[C@@H](C)N1CC[NH2+]CC1=O ZINC000638292327 373408852 /nfs/dbraw/zinc/40/88/52/373408852.db2.gz GZWBBOXNKINPOH-SECBINFHSA-N 1 2 280.332 -1.266 20 0 CAADLO C[C@H](C(=O)NCCCn1ccnn1)N1CC[NH2+]CC1=O ZINC000638283240 373409330 /nfs/dbraw/zinc/40/93/30/373409330.db2.gz SZVSATZKRPGENG-SNVBAGLBSA-N 1 2 280.332 -1.395 20 0 CAADLO CC(C)Nc1nc(N2C[C@@H](O)[C@@H](O)C2)nc(NCCO)[nH+]1 ZINC000287609957 373409367 /nfs/dbraw/zinc/40/93/67/373409367.db2.gz FZSMPJPNNOUHEJ-DTORHVGOSA-N 1 2 298.347 -1.362 20 0 CAADLO CC(C)Nc1nc(NCCO)[nH+]c(N2C[C@@H](O)[C@@H](O)C2)n1 ZINC000287609957 373409374 /nfs/dbraw/zinc/40/93/74/373409374.db2.gz FZSMPJPNNOUHEJ-DTORHVGOSA-N 1 2 298.347 -1.362 20 0 CAADLO CC(C)Nc1nc(NCCO)nc(N2C[C@@H](O)[C@@H](O)C2)[nH+]1 ZINC000287609957 373409382 /nfs/dbraw/zinc/40/93/82/373409382.db2.gz FZSMPJPNNOUHEJ-DTORHVGOSA-N 1 2 298.347 -1.362 20 0 CAADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)C(=O)N(C)CCCO ZINC000340256450 373409542 /nfs/dbraw/zinc/40/95/42/373409542.db2.gz RORZWTUMUDDXKF-NSHDSACASA-N 1 2 287.360 -1.336 20 0 CAADLO CCC[C@@H]1C(=O)NCCN1C(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000638291686 373409554 /nfs/dbraw/zinc/40/95/54/373409554.db2.gz TVAMCZPEZJRSCT-WDEREUQCSA-N 1 2 296.371 -1.066 20 0 CAADLO C[C@H](C(=O)N1CCc2n[nH]nc2C1)N1CC[NH2+]CC1=O ZINC000638284161 373409900 /nfs/dbraw/zinc/40/99/00/373409900.db2.gz FCMHEHLAQLLVCB-MRVPVSSYSA-N 1 2 278.316 -1.490 20 0 CAADLO COCCN(C)C(=O)C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000340257438 373409919 /nfs/dbraw/zinc/40/99/19/373409919.db2.gz JPRZDPOZYROIIW-NSHDSACASA-N 1 2 287.360 -1.072 20 0 CAADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)C(=O)N(C)CCO ZINC000340262895 373411135 /nfs/dbraw/zinc/41/11/35/373411135.db2.gz ZLCFKUZCHFARQU-JTQLQIEISA-N 1 2 273.333 -1.726 20 0 CAADLO C[C@H](C(=O)N(C)CCNC(=O)N(C)C)N1CC[NH2+]CC1=O ZINC000638310133 373412028 /nfs/dbraw/zinc/41/20/28/373412028.db2.gz WPYKZFWUGLOXNH-SNVBAGLBSA-N 1 2 299.375 -1.464 20 0 CAADLO CNC(=O)[C@H]1CN(C(=O)[C@@H](C)N2CC[NH2+]CC2=O)CCO1 ZINC000638303931 373412134 /nfs/dbraw/zinc/41/21/34/373412134.db2.gz KRXOECSRGPLGCE-NXEZZACHSA-N 1 2 298.343 -2.220 20 0 CAADLO Cn1ncc2c1nc(NC[C@@H]1CC(C(N)=O)=NO1)[nH+]c2N ZINC000288029923 373412398 /nfs/dbraw/zinc/41/23/98/373412398.db2.gz AMEZKWLDSCCKCZ-YFKPBYRVSA-N 1 2 290.287 -1.012 20 0 CAADLO CNC(=O)[C@H]1CN(C(=O)[C@H](C)N2CC[NH2+]CC2=O)CCO1 ZINC000638304069 373412480 /nfs/dbraw/zinc/41/24/80/373412480.db2.gz KRXOECSRGPLGCE-VHSXEESVSA-N 1 2 298.343 -2.220 20 0 CAADLO CNC(=O)[C@@H]1CN(C(=O)[C@@H](C)N2CC[NH2+]CC2=O)CCO1 ZINC000638304070 373412626 /nfs/dbraw/zinc/41/26/26/373412626.db2.gz KRXOECSRGPLGCE-ZJUUUORDSA-N 1 2 298.343 -2.220 20 0 CAADLO C[C@H](NC(=O)[C@H](C)N1CC[NH2+]CC1=O)C(=O)N1CCCC1 ZINC000638324927 373413773 /nfs/dbraw/zinc/41/37/73/373413773.db2.gz FIPBUERNLXFPAI-QWRGUYRKSA-N 1 2 296.371 -1.066 20 0 CAADLO C[C@H](C(=O)N1CCC[C@H]2C(=O)NC[C@H]21)N1CC[NH2+]CC1=O ZINC000638325869 373413843 /nfs/dbraw/zinc/41/38/43/373413843.db2.gz LHACMLLAQSFPSR-GMTAPVOTSA-N 1 2 294.355 -1.456 20 0 CAADLO Cc1nnc(NC(=O)[C@@H](C)N2CC[NH2+]CC2=O)n1C ZINC000638318265 373414083 /nfs/dbraw/zinc/41/40/83/373414083.db2.gz TUIASGQXQVYMAO-SSDOTTSWSA-N 1 2 266.305 -1.118 20 0 CAADLO COC(=O)[C@@H]1C[C@H](O)CN1CC[NH+]1CCOCC1 ZINC000163780293 373414185 /nfs/dbraw/zinc/41/41/85/373414185.db2.gz YPNPXWUCZMPIMD-QWRGUYRKSA-N 1 2 258.318 -1.073 20 0 CAADLO COC(=O)[C@@H]1C[C@H](O)C[N@@H+]1CCN1CCOCC1 ZINC000163780293 373414194 /nfs/dbraw/zinc/41/41/94/373414194.db2.gz YPNPXWUCZMPIMD-QWRGUYRKSA-N 1 2 258.318 -1.073 20 0 CAADLO COC(=O)[C@@H]1C[C@H](O)C[N@H+]1CCN1CCOCC1 ZINC000163780293 373414204 /nfs/dbraw/zinc/41/42/04/373414204.db2.gz YPNPXWUCZMPIMD-QWRGUYRKSA-N 1 2 258.318 -1.073 20 0 CAADLO O=C(NC1CC1)C(=O)N1CC[NH+]([C@H]2COC[C@H]2O)CC1 ZINC000340283574 373415602 /nfs/dbraw/zinc/41/56/02/373415602.db2.gz LRUCRFWEEHOORH-WDEREUQCSA-N 1 2 283.328 -1.831 20 0 CAADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)[C@@H]1CCCC(=O)N1 ZINC000340305105 373416726 /nfs/dbraw/zinc/41/67/26/373416726.db2.gz IMLCZFFVFDNKAQ-NEPJUHHUSA-N 1 2 299.371 -1.193 20 0 CAADLO Cc1cnn(C)c1C[N@@H+]1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC000289271817 373418335 /nfs/dbraw/zinc/41/83/35/373418335.db2.gz NPMIHHRTGUFCOF-JTQLQIEISA-N 1 2 277.328 -1.129 20 0 CAADLO Cc1cnn(C)c1C[N@H+]1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC000289271817 373418344 /nfs/dbraw/zinc/41/83/44/373418344.db2.gz NPMIHHRTGUFCOF-JTQLQIEISA-N 1 2 277.328 -1.129 20 0 CAADLO CCN1C[C@@H](CNC(=O)[C@@H](C)N2CC[NH2+]CC2=O)CC1=O ZINC000638391596 373420131 /nfs/dbraw/zinc/42/01/31/373420131.db2.gz UINWTYAKBKUHLH-GHMZBOCLSA-N 1 2 296.371 -1.209 20 0 CAADLO C[C@H](C(=O)N(C)C[C@H]1COCCO1)N1CC[NH2+]CC1=O ZINC000638413569 373420155 /nfs/dbraw/zinc/42/01/55/373420155.db2.gz AJOJYPYGIVCQGB-MNOVXSKESA-N 1 2 285.344 -1.320 20 0 CAADLO CCn1cc(CNC(=O)[C@@H](C)N2CC[NH2+]CC2=O)nn1 ZINC000638409607 373420168 /nfs/dbraw/zinc/42/01/68/373420168.db2.gz MNWOVAIQWIEUHE-SECBINFHSA-N 1 2 280.332 -1.266 20 0 CAADLO CO[C@H](CNC(=O)[C@@H](C)N1CC[NH2+]CC1=O)[C@@H]1CCOC1 ZINC000638411825 373420303 /nfs/dbraw/zinc/42/03/03/373420303.db2.gz RGGJMXDZMQORFE-IJLUTSLNSA-N 1 2 299.371 -1.026 20 0 CAADLO CCN1C[C@@H](NC(=O)[C@@H](C)N2CC[NH2+]CC2=O)CC1=O ZINC000638379042 373420481 /nfs/dbraw/zinc/42/04/81/373420481.db2.gz WDRZBLCOSRGBII-ZJUUUORDSA-N 1 2 282.344 -1.456 20 0 CAADLO CC(=O)NCCN(C)C(=O)[C@@H](C)N1CC[NH2+]CC1=O ZINC000638375084 373420610 /nfs/dbraw/zinc/42/06/10/373420610.db2.gz VZCYFGKBLLUXSD-SECBINFHSA-N 1 2 270.333 -1.599 20 0 CAADLO CC(=O)N[C@H]1CCN(C(=O)[C@H](C)N2CC[NH2+]CC2=O)C1 ZINC000638406143 373420622 /nfs/dbraw/zinc/42/06/22/373420622.db2.gz FXQLMQSMYPUUGQ-ONGXEEELSA-N 1 2 282.344 -1.456 20 0 CAADLO CO[C@H](CNC(=O)[C@H](C)N1CC[NH2+]CC1=O)[C@@H]1CCOC1 ZINC000638411826 373420636 /nfs/dbraw/zinc/42/06/36/373420636.db2.gz RGGJMXDZMQORFE-QJPTWQEYSA-N 1 2 299.371 -1.026 20 0 CAADLO CCN1C[C@H](NC(=O)[C@@H](C)N2CC[NH2+]CC2=O)CC1=O ZINC000638379038 373420700 /nfs/dbraw/zinc/42/07/00/373420700.db2.gz WDRZBLCOSRGBII-NXEZZACHSA-N 1 2 282.344 -1.456 20 0 CAADLO CCN1C[C@@H](NC(=O)[C@H](C)N2CC[NH2+]CC2=O)CC1=O ZINC000638379039 373420760 /nfs/dbraw/zinc/42/07/60/373420760.db2.gz WDRZBLCOSRGBII-UWVGGRQHSA-N 1 2 282.344 -1.456 20 0 CAADLO CCN1C[C@H](NC(=O)[C@H](C)N2CC[NH2+]CC2=O)CC1=O ZINC000638379040 373420822 /nfs/dbraw/zinc/42/08/22/373420822.db2.gz WDRZBLCOSRGBII-VHSXEESVSA-N 1 2 282.344 -1.456 20 0 CAADLO COC[C@@H](CCNC(=O)[C@@H](C)N1CC[NH2+]CC1=O)OC ZINC000638403629 373420953 /nfs/dbraw/zinc/42/09/53/373420953.db2.gz DJLQQOSSMBQGDP-GHMZBOCLSA-N 1 2 287.360 -1.026 20 0 CAADLO COC[C@@H](CCNC(=O)[C@H](C)N1CC[NH2+]CC1=O)OC ZINC000638403632 373421046 /nfs/dbraw/zinc/42/10/46/373421046.db2.gz DJLQQOSSMBQGDP-WDEREUQCSA-N 1 2 287.360 -1.026 20 0 CAADLO CC(=O)N1CC[C@@H](NC(=O)[C@@H](C)N2CC[NH2+]CC2=O)C1 ZINC000638439618 373422028 /nfs/dbraw/zinc/42/20/28/373422028.db2.gz IHFVIGNRXQYASR-MWLCHTKSSA-N 1 2 282.344 -1.456 20 0 CAADLO C[C@H](C(=O)N1CC[C@@](C)(C(N)=O)C1)N1CC[NH2+]CC1=O ZINC000638426223 373422272 /nfs/dbraw/zinc/42/22/72/373422272.db2.gz IZFBTSMGYGTMQI-NOZJJQNGSA-N 1 2 282.344 -1.469 20 0 CAADLO CC(=O)N1CC[C@@H](NC(=O)[C@H](C)N2CC[NH2+]CC2=O)C1 ZINC000638439617 373422819 /nfs/dbraw/zinc/42/28/19/373422819.db2.gz IHFVIGNRXQYASR-GXSJLCMTSA-N 1 2 282.344 -1.456 20 0 CAADLO C[C@H](CNC(=O)[C@@H](C)N1CC[NH2+]CC1=O)S(C)(=O)=O ZINC000638433552 373423273 /nfs/dbraw/zinc/42/32/73/373423273.db2.gz WUWFLKBODGJPER-RKDXNWHRSA-N 1 2 291.373 -1.644 20 0 CAADLO C[C@H](C(=O)NCCOCCF)N1CC[NH2+]CC1=O ZINC000638437051 373423294 /nfs/dbraw/zinc/42/32/94/373423294.db2.gz PRRSFYGZUREWTK-SECBINFHSA-N 1 2 261.297 -1.091 20 0 CAADLO CCn1nncc1CNC(=O)[C@@H](C)N1CC[NH2+]CC1=O ZINC000638451510 373424564 /nfs/dbraw/zinc/42/45/64/373424564.db2.gz ZRQOOEBPUPJNKQ-SECBINFHSA-N 1 2 280.332 -1.266 20 0 CAADLO CCn1nncc1CNC(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000638451511 373425328 /nfs/dbraw/zinc/42/53/28/373425328.db2.gz ZRQOOEBPUPJNKQ-VIFPVBQESA-N 1 2 280.332 -1.266 20 0 CAADLO CCn1nncc1CNC(=O)CN1CC[NH2+]CC1=O ZINC000638449916 373425534 /nfs/dbraw/zinc/42/55/34/373425534.db2.gz IRVPSWWEAUJNAI-UHFFFAOYSA-N 1 2 266.305 -1.654 20 0 CAADLO C[C@H](C(=O)NCCN1CCO[C@H](C)C1)N1CC[NH2+]CC1=O ZINC000638091254 373381947 /nfs/dbraw/zinc/38/19/47/373381947.db2.gz SBVZHQUWMWNYNY-VXGBXAGGSA-N 1 2 298.387 -1.356 20 0 CAADLO C[C@@H](C(=O)NCCN1CCO[C@@H](C)C1)N1CC[NH2+]CC1=O ZINC000638091253 373382657 /nfs/dbraw/zinc/38/26/57/373382657.db2.gz SBVZHQUWMWNYNY-RYUDHWBXSA-N 1 2 298.387 -1.356 20 0 CAADLO C[C@@H]1C(=O)NCCN1C(=O)C(=O)NCCCn1cc[nH+]c1 ZINC000283375686 373382698 /nfs/dbraw/zinc/38/26/98/373382698.db2.gz VWGUHMHWZIRIFZ-SNVBAGLBSA-N 1 2 293.327 -1.264 20 0 CAADLO C[C@@H](C(=O)NCc1ncc[nH]1)N1CC[NH2+]CC1=O ZINC000638114407 373384601 /nfs/dbraw/zinc/38/46/01/373384601.db2.gz IXZFFRBQCMWQEC-QMMMGPOBSA-N 1 2 251.290 -1.154 20 0 CAADLO C[C@@H](C(=O)NCCN1CCOC[C@H]1C)N1CC[NH2+]CC1=O ZINC000638100477 373384685 /nfs/dbraw/zinc/38/46/85/373384685.db2.gz ZJGVXXCBWSEPJQ-NEPJUHHUSA-N 1 2 298.387 -1.356 20 0 CAADLO C[C@H](C(=O)NCc1nccn1C)N1CC[NH2+]CC1=O ZINC000638102519 373384878 /nfs/dbraw/zinc/38/48/78/373384878.db2.gz IHKGYRLWVLENBA-SECBINFHSA-N 1 2 265.317 -1.143 20 0 CAADLO C[C@@H](C(=O)NCCN1CCOC[C@@H]1C)N1CC[NH2+]CC1=O ZINC000638100479 373385273 /nfs/dbraw/zinc/38/52/73/373385273.db2.gz ZJGVXXCBWSEPJQ-RYUDHWBXSA-N 1 2 298.387 -1.356 20 0 CAADLO C[C@@H]1CN(C(=O)C(=O)NCCn2cc[nH+]c2)CC(=O)N1C ZINC000284138669 373385887 /nfs/dbraw/zinc/38/58/87/373385887.db2.gz XGYHTHZZENNCDF-SNVBAGLBSA-N 1 2 293.327 -1.312 20 0 CAADLO C[C@@H](C(=O)NCCc1ncc[nH]1)N1CC[NH2+]CC1=O ZINC000638113934 373386021 /nfs/dbraw/zinc/38/60/21/373386021.db2.gz RBXMHWPRENYUGU-VIFPVBQESA-N 1 2 265.317 -1.111 20 0 CAADLO CC(=O)N1CC[NH+](CCNC(=O)c2cnn(C)n2)CC1 ZINC000284184347 373388397 /nfs/dbraw/zinc/38/83/97/373388397.db2.gz YBSKHWQUSRVOKZ-UHFFFAOYSA-N 1 2 280.332 -1.291 20 0 CAADLO Cn1ncc(C(=O)NC[C@H]2C[NH+]3CCN2CC3)n1 ZINC000284547517 373388883 /nfs/dbraw/zinc/38/88/83/373388883.db2.gz BFHXUMJKMLOWHP-VIFPVBQESA-N 1 2 250.306 -1.455 20 0 CAADLO Cc1nncn1CCNC(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000638122647 373389444 /nfs/dbraw/zinc/38/94/44/373389444.db2.gz NSRQRRLKGXJGIB-VIFPVBQESA-N 1 2 280.332 -1.477 20 0 CAADLO NC(=O)NC(=O)C[N@@H+]1CCC[C@H](c2n[nH]c(=O)o2)C1 ZINC000284278757 373389488 /nfs/dbraw/zinc/38/94/88/373389488.db2.gz NHJMUZFGDZOXJG-LURJTMIESA-N 1 2 269.261 -1.263 20 0 CAADLO NC(=O)NC(=O)C[N@H+]1CCC[C@H](c2n[nH]c(=O)o2)C1 ZINC000284278757 373389491 /nfs/dbraw/zinc/38/94/91/373389491.db2.gz NHJMUZFGDZOXJG-LURJTMIESA-N 1 2 269.261 -1.263 20 0 CAADLO C[C@H](CNC(=O)C(=O)N1CC[C@H](CO)C1)[NH+]1CCOCC1 ZINC000340198119 373392002 /nfs/dbraw/zinc/39/20/02/373392002.db2.gz CSEXNHSCEURAMV-NEPJUHHUSA-N 1 2 299.371 -1.336 20 0 CAADLO C[C@@H](CNC(=O)C(=O)N1CC[C@H](CO)C1)[NH+]1CCOCC1 ZINC000340198121 373392444 /nfs/dbraw/zinc/39/24/44/373392444.db2.gz CSEXNHSCEURAMV-RYUDHWBXSA-N 1 2 299.371 -1.336 20 0 CAADLO O=c1ccc(C[N@@H+]2CCN3C(=O)C(=O)NC[C@@H]3C2)c[nH]1 ZINC000638165207 373392938 /nfs/dbraw/zinc/39/29/38/373392938.db2.gz LJZKUAYJBCQWGT-SNVBAGLBSA-N 1 2 276.296 -1.070 20 0 CAADLO O=c1ccc(C[N@H+]2CCN3C(=O)C(=O)NC[C@@H]3C2)c[nH]1 ZINC000638165207 373392943 /nfs/dbraw/zinc/39/29/43/373392943.db2.gz LJZKUAYJBCQWGT-SNVBAGLBSA-N 1 2 276.296 -1.070 20 0 CAADLO CO[C@H](C)C[N@H+](C)CC(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000285672905 373395238 /nfs/dbraw/zinc/39/52/38/373395238.db2.gz MSXJWMADHIEXTQ-MRVPVSSYSA-N 1 2 298.343 -1.184 20 0 CAADLO CO[C@H](C)C[N@@H+](C)CC(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000285672905 373395245 /nfs/dbraw/zinc/39/52/45/373395245.db2.gz MSXJWMADHIEXTQ-MRVPVSSYSA-N 1 2 298.343 -1.184 20 0 CAADLO CC(C)Nc1nc(NCCO)[nH+]c(NC[C@@H](O)CO)n1 ZINC000286052050 373397968 /nfs/dbraw/zinc/39/79/68/373397968.db2.gz AYCCNVQBUYHJCR-MRVPVSSYSA-N 1 2 286.336 -1.139 20 0 CAADLO CC(C)Nc1nc(NC[C@@H](O)CO)nc(NCCO)[nH+]1 ZINC000286052050 373397985 /nfs/dbraw/zinc/39/79/85/373397985.db2.gz AYCCNVQBUYHJCR-MRVPVSSYSA-N 1 2 286.336 -1.139 20 0 CAADLO CC(C)Nc1nc(NCCO)nc(NC[C@@H](O)CO)[nH+]1 ZINC000286052050 373397992 /nfs/dbraw/zinc/39/79/92/373397992.db2.gz AYCCNVQBUYHJCR-MRVPVSSYSA-N 1 2 286.336 -1.139 20 0 CAADLO CN(CC(=O)OC(C)(C)C)[C@H]1C[N@H+](CC(N)=O)C[C@H]1O ZINC000340213749 373398264 /nfs/dbraw/zinc/39/82/64/373398264.db2.gz FNOWLNSDCDSRTA-VHSXEESVSA-N 1 2 287.360 -1.210 20 0 CAADLO CN(CC(=O)OC(C)(C)C)[C@H]1C[N@@H+](CC(N)=O)C[C@H]1O ZINC000340213749 373398273 /nfs/dbraw/zinc/39/82/73/373398273.db2.gz FNOWLNSDCDSRTA-VHSXEESVSA-N 1 2 287.360 -1.210 20 0 CAADLO CN(CC(=O)OC(C)(C)C)[C@@H]1C[N@H+](CC(N)=O)C[C@@H]1O ZINC000340213751 373399077 /nfs/dbraw/zinc/39/90/77/373399077.db2.gz FNOWLNSDCDSRTA-ZJUUUORDSA-N 1 2 287.360 -1.210 20 0 CAADLO CN(CC(=O)OC(C)(C)C)[C@@H]1C[N@@H+](CC(N)=O)C[C@@H]1O ZINC000340213751 373399086 /nfs/dbraw/zinc/39/90/86/373399086.db2.gz FNOWLNSDCDSRTA-ZJUUUORDSA-N 1 2 287.360 -1.210 20 0 CAADLO COCCCS(=O)(=O)NCC[N@H+](C)[C@H]1CCNC1=O ZINC000340223716 373400118 /nfs/dbraw/zinc/40/01/18/373400118.db2.gz XJUBGEDUQVOTIJ-JTQLQIEISA-N 1 2 293.389 -1.237 20 0 CAADLO COCCCS(=O)(=O)NCC[N@@H+](C)[C@H]1CCNC1=O ZINC000340223716 373400126 /nfs/dbraw/zinc/40/01/26/373400126.db2.gz XJUBGEDUQVOTIJ-JTQLQIEISA-N 1 2 293.389 -1.237 20 0 CAADLO CC(=O)N[C@@H]1CCCN(C(=O)C[N@@H+](C)[C@H]2CCNC2=O)C1 ZINC000340223067 373400370 /nfs/dbraw/zinc/40/03/70/373400370.db2.gz SHNZBXMRLLGBIE-NEPJUHHUSA-N 1 2 296.371 -1.066 20 0 CAADLO CC(=O)N[C@@H]1CCCN(C(=O)C[N@H+](C)[C@H]2CCNC2=O)C1 ZINC000340223067 373400380 /nfs/dbraw/zinc/40/03/80/373400380.db2.gz SHNZBXMRLLGBIE-NEPJUHHUSA-N 1 2 296.371 -1.066 20 0 CAADLO CC(=O)N[C@H]1CCCN(C(=O)C[N@@H+](C)[C@H]2CCNC2=O)C1 ZINC000340223069 373401015 /nfs/dbraw/zinc/40/10/15/373401015.db2.gz SHNZBXMRLLGBIE-RYUDHWBXSA-N 1 2 296.371 -1.066 20 0 CAADLO CC(=O)N[C@H]1CCCN(C(=O)C[N@H+](C)[C@H]2CCNC2=O)C1 ZINC000340223069 373401024 /nfs/dbraw/zinc/40/10/24/373401024.db2.gz SHNZBXMRLLGBIE-RYUDHWBXSA-N 1 2 296.371 -1.066 20 0 CAADLO C[C@@H](C(=O)N1CCC[C@H]1C(=O)N(C)C)N1CC[NH2+]CC1=O ZINC000638586238 373440190 /nfs/dbraw/zinc/44/01/90/373440190.db2.gz LVUAOZROFJNCTD-QWRGUYRKSA-N 1 2 296.371 -1.114 20 0 CAADLO COC(=O)CNC(=O)[C@H](C)[N@H+](C)CC(=O)NC1CC1 ZINC000298112442 373451777 /nfs/dbraw/zinc/45/17/77/373451777.db2.gz ZUQCCWSOKCAAQB-QMMMGPOBSA-N 1 2 271.317 -1.126 20 0 CAADLO COC(=O)CNC(=O)[C@H](C)[N@@H+](C)CC(=O)NC1CC1 ZINC000298112442 373451786 /nfs/dbraw/zinc/45/17/86/373451786.db2.gz ZUQCCWSOKCAAQB-QMMMGPOBSA-N 1 2 271.317 -1.126 20 0 CAADLO COC(=O)NCC(=O)NCC[NH+]1CCN(C(C)=O)CC1 ZINC000299046058 373457104 /nfs/dbraw/zinc/45/71/04/373457104.db2.gz RQXBJWGJRFHILZ-UHFFFAOYSA-N 1 2 286.332 -1.377 20 0 CAADLO CNC(=O)[C@@H]1CCC[N@@H+]1CC(=O)NCCC(=O)OC ZINC000299099190 373458133 /nfs/dbraw/zinc/45/81/33/373458133.db2.gz RDCVUJLOAWXOGK-VIFPVBQESA-N 1 2 271.317 -1.124 20 0 CAADLO CNC(=O)[C@@H]1CCC[N@H+]1CC(=O)NCCC(=O)OC ZINC000299099190 373458141 /nfs/dbraw/zinc/45/81/41/373458141.db2.gz RDCVUJLOAWXOGK-VIFPVBQESA-N 1 2 271.317 -1.124 20 0 CAADLO C[N@@H+]1CCC[C@H](NC(=O)CN2CCS(=O)(=O)CC2)C1 ZINC000617414537 373460521 /nfs/dbraw/zinc/46/05/21/373460521.db2.gz KVWJDHRALIWELD-NSHDSACASA-N 1 2 289.401 -1.073 20 0 CAADLO C[N@H+]1CCC[C@H](NC(=O)CN2CCS(=O)(=O)CC2)C1 ZINC000617414537 373460525 /nfs/dbraw/zinc/46/05/25/373460525.db2.gz KVWJDHRALIWELD-NSHDSACASA-N 1 2 289.401 -1.073 20 0 CAADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)NC(CO)CO ZINC000340970975 373464595 /nfs/dbraw/zinc/46/45/95/373464595.db2.gz VYQCBYZROMRGQL-VIFPVBQESA-N 1 2 261.322 -1.641 20 0 CAADLO C[C@@H](NC(=O)NC(CO)CO)[C@H](C)[NH+]1CCOCC1 ZINC000341100780 373464903 /nfs/dbraw/zinc/46/49/03/373464903.db2.gz HBEUNJLYFOLKOO-ZJUUUORDSA-N 1 2 275.349 -1.252 20 0 CAADLO CC(C)C(=O)N[C@H](CO)C(=O)NCC[NH+]1CCOCC1 ZINC000341055420 373465812 /nfs/dbraw/zinc/46/58/12/373465812.db2.gz OHOYLMOBJMKAOC-LLVKDONJSA-N 1 2 287.360 -1.432 20 0 CAADLO CC1(C)COCC[N@@H+]1CCNC(=O)NC(CO)CO ZINC000341170026 373466893 /nfs/dbraw/zinc/46/68/93/373466893.db2.gz RXJWUAYSHYBULH-UHFFFAOYSA-N 1 2 275.349 -1.250 20 0 CAADLO CC1(C)COCC[N@H+]1CCNC(=O)NC(CO)CO ZINC000341170026 373466900 /nfs/dbraw/zinc/46/69/00/373466900.db2.gz RXJWUAYSHYBULH-UHFFFAOYSA-N 1 2 275.349 -1.250 20 0 CAADLO CCNC(=O)CNc1nc(NCCO)[nH+]c(NC(C)C)n1 ZINC000341377875 373470390 /nfs/dbraw/zinc/47/03/90/373470390.db2.gz OGWVJTTWEVBVNY-UHFFFAOYSA-N 1 2 297.363 -2.090 20 0 CAADLO CCNC(=O)CNc1nc(NC(C)C)nc(NCCO)[nH+]1 ZINC000341377875 373470398 /nfs/dbraw/zinc/47/03/98/373470398.db2.gz OGWVJTTWEVBVNY-UHFFFAOYSA-N 1 2 297.363 -2.090 20 0 CAADLO CCNC(=O)CNc1nc(NCCO)nc(NC(C)C)[nH+]1 ZINC000341377875 373470404 /nfs/dbraw/zinc/47/04/04/373470404.db2.gz OGWVJTTWEVBVNY-UHFFFAOYSA-N 1 2 297.363 -2.090 20 0 CAADLO COC(=O)[C@@H]1C[C@H](OC)C[N@H+]1CCCS(N)(=O)=O ZINC000341496813 373470502 /nfs/dbraw/zinc/47/05/02/373470502.db2.gz ORQBCMZBGBQCOF-IUCAKERBSA-N 1 2 280.346 -1.073 20 0 CAADLO COC(=O)[C@@H]1C[C@H](OC)C[N@@H+]1CCCS(N)(=O)=O ZINC000341496813 373470506 /nfs/dbraw/zinc/47/05/06/373470506.db2.gz ORQBCMZBGBQCOF-IUCAKERBSA-N 1 2 280.346 -1.073 20 0 CAADLO CC(C)Nc1nc(NCCO)[nH+]c(NC2CCOCC2)n1 ZINC000341579686 373472867 /nfs/dbraw/zinc/47/28/67/373472867.db2.gz ZOYDFYGZKIPMJA-UHFFFAOYSA-N 1 2 296.375 -1.047 20 0 CAADLO CC(C)Nc1nc(NCCO)nc(NC2CCOCC2)[nH+]1 ZINC000341579686 373472868 /nfs/dbraw/zinc/47/28/68/373472868.db2.gz ZOYDFYGZKIPMJA-UHFFFAOYSA-N 1 2 296.375 -1.047 20 0 CAADLO CC(C)NC(=O)C[N@H+](C)CC(=O)N(C)[C@H]1COC[C@@H]1O ZINC000342349730 373474552 /nfs/dbraw/zinc/47/45/52/373474552.db2.gz VKEGXHZMAWASJJ-QWRGUYRKSA-N 1 2 287.360 -1.339 20 0 CAADLO CC(C)NC(=O)C[N@@H+](C)CC(=O)N(C)[C@H]1COC[C@@H]1O ZINC000342349730 373474560 /nfs/dbraw/zinc/47/45/60/373474560.db2.gz VKEGXHZMAWASJJ-QWRGUYRKSA-N 1 2 287.360 -1.339 20 0 CAADLO CC(C)Nc1nc(N[C@@H](C)[C@@H](C)CO)nc(NCCO)[nH+]1 ZINC000342350491 373475013 /nfs/dbraw/zinc/47/50/13/373475013.db2.gz OPDOUFSYGVHBDP-UWVGGRQHSA-N 1 2 298.391 -1.209 20 0 CAADLO CC(C)Nc1nc(NCCO)[nH+]c(N[C@@H](C)[C@@H](C)CO)n1 ZINC000342350491 373475015 /nfs/dbraw/zinc/47/50/15/373475015.db2.gz OPDOUFSYGVHBDP-UWVGGRQHSA-N 1 2 298.391 -1.209 20 0 CAADLO CC(C)Nc1nc(NCCO)nc(N[C@@H](C)[C@@H](C)CO)[nH+]1 ZINC000342350491 373475016 /nfs/dbraw/zinc/47/50/16/373475016.db2.gz OPDOUFSYGVHBDP-UWVGGRQHSA-N 1 2 298.391 -1.209 20 0 CAADLO O=C(CN1CC[NH2+]CC1=O)N[C@@H]1CCN(C2CCC2)C1=O ZINC000638797983 373477486 /nfs/dbraw/zinc/47/74/86/373477486.db2.gz YEMLMLQPXNJZST-LLVKDONJSA-N 1 2 294.355 -1.312 20 0 CAADLO COC(=O)[C@@H]1C[C@H](O)C[N@@H+]1C[C@](C)(O)C(=O)OC ZINC000330815409 373491573 /nfs/dbraw/zinc/49/15/73/373491573.db2.gz CXYQTIQVJWBEKK-LAEOZQHASA-N 1 2 261.274 -1.481 20 0 CAADLO COC(=O)[C@@H]1C[C@H](O)C[N@H+]1C[C@](C)(O)C(=O)OC ZINC000330815409 373491581 /nfs/dbraw/zinc/49/15/81/373491581.db2.gz CXYQTIQVJWBEKK-LAEOZQHASA-N 1 2 261.274 -1.481 20 0 CAADLO COC(=O)[C@@](C)(O)C[N@@H+]1CCO[C@@H](CNC(C)=O)C1 ZINC000331201368 373491961 /nfs/dbraw/zinc/49/19/61/373491961.db2.gz VMEWLKJVVMAEBH-JQWIXIFHSA-N 1 2 274.317 -1.253 20 0 CAADLO COC(=O)[C@@](C)(O)C[N@H+]1CCO[C@@H](CNC(C)=O)C1 ZINC000331201368 373491972 /nfs/dbraw/zinc/49/19/72/373491972.db2.gz VMEWLKJVVMAEBH-JQWIXIFHSA-N 1 2 274.317 -1.253 20 0 CAADLO COC(=O)[C@](C)(O)C[N@@H+]1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000330857325 373492000 /nfs/dbraw/zinc/49/20/00/373492000.db2.gz UJWWIDWEPGAFIS-WRWORJQWSA-N 1 2 271.273 -1.854 20 0 CAADLO COC(=O)[C@](C)(O)C[N@H+]1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000330857325 373492007 /nfs/dbraw/zinc/49/20/07/373492007.db2.gz UJWWIDWEPGAFIS-WRWORJQWSA-N 1 2 271.273 -1.854 20 0 CAADLO NC(=O)[C@@]1(O)CCC[N@H+](CC(=O)Nc2ccncc2)C1 ZINC000346567020 373536979 /nfs/dbraw/zinc/53/69/79/373536979.db2.gz GZXXMLIFAHNYTR-CYBMUJFWSA-N 1 2 278.312 -1.246 20 0 CAADLO NC(=O)[C@@]1(O)CCC[N@@H+](CC(=O)Nc2ccncc2)C1 ZINC000346567020 373536990 /nfs/dbraw/zinc/53/69/90/373536990.db2.gz GZXXMLIFAHNYTR-CYBMUJFWSA-N 1 2 278.312 -1.246 20 0 CAADLO COC(=O)[C@@H]1[C@H](O)CCC[N@@H+]1C[C@](C)(O)C(=O)OC ZINC000330854068 373493060 /nfs/dbraw/zinc/49/30/60/373493060.db2.gz RVXXFQRUYKKUFY-PTRXPTGYSA-N 1 2 275.301 -1.091 20 0 CAADLO COC(=O)[C@@H]1[C@H](O)CCC[N@H+]1C[C@](C)(O)C(=O)OC ZINC000330854068 373493071 /nfs/dbraw/zinc/49/30/71/373493071.db2.gz RVXXFQRUYKKUFY-PTRXPTGYSA-N 1 2 275.301 -1.091 20 0 CAADLO CNC(=O)C[N@H+](C)CC(=O)N1CCC[C@@H](NC(C)=O)C1 ZINC000331044377 373493102 /nfs/dbraw/zinc/49/31/02/373493102.db2.gz FBOSVIMBVHJOJE-LLVKDONJSA-N 1 2 284.360 -1.209 20 0 CAADLO CNC(=O)C[N@@H+](C)CC(=O)N1CCC[C@@H](NC(C)=O)C1 ZINC000331044377 373493111 /nfs/dbraw/zinc/49/31/11/373493111.db2.gz FBOSVIMBVHJOJE-LLVKDONJSA-N 1 2 284.360 -1.209 20 0 CAADLO COC(=O)CCNC(=O)C[N@@H+]1CCN2C(=O)CC[C@@H]2C1 ZINC000346446594 373534637 /nfs/dbraw/zinc/53/46/37/373534637.db2.gz BBVFLVORGBNSDA-SNVBAGLBSA-N 1 2 283.328 -1.028 20 0 CAADLO COC(=O)CCNC(=O)C[N@H+]1CCN2C(=O)CC[C@@H]2C1 ZINC000346446594 373534641 /nfs/dbraw/zinc/53/46/41/373534641.db2.gz BBVFLVORGBNSDA-SNVBAGLBSA-N 1 2 283.328 -1.028 20 0 CAADLO CCC[C@@]1(C)C(=O)NCCN1C(=O)CN1CC[NH2+]CC1=O ZINC000639016478 373494857 /nfs/dbraw/zinc/49/48/57/373494857.db2.gz JIBVMSHXWFOUNC-AWEZNQCLSA-N 1 2 296.371 -1.065 20 0 CAADLO CNS(=O)(=O)CCC[N@@H+]1CCC[C@H](O)[C@@H]1C(=O)OC ZINC000331305417 373495431 /nfs/dbraw/zinc/49/54/31/373495431.db2.gz USKGTQOQCLZRHR-VHSXEESVSA-N 1 2 294.373 -1.076 20 0 CAADLO CNS(=O)(=O)CCC[N@H+]1CCC[C@H](O)[C@@H]1C(=O)OC ZINC000331305417 373495440 /nfs/dbraw/zinc/49/54/40/373495440.db2.gz USKGTQOQCLZRHR-VHSXEESVSA-N 1 2 294.373 -1.076 20 0 CAADLO CC[N@H+](CC(N)=O)CC(=O)N1CCN(C(C)=O)CC1 ZINC000191719371 373499360 /nfs/dbraw/zinc/49/93/60/373499360.db2.gz XDYSIEJIWRCWGQ-UHFFFAOYSA-N 1 2 270.333 -1.516 20 0 CAADLO CC[N@@H+](CC(N)=O)CC(=O)N1CCN(C(C)=O)CC1 ZINC000191719371 373499368 /nfs/dbraw/zinc/49/93/68/373499368.db2.gz XDYSIEJIWRCWGQ-UHFFFAOYSA-N 1 2 270.333 -1.516 20 0 CAADLO CNC(=O)[C@H]1CCC[N@@H+]1CC(=O)N[C@@H](C)C(=O)N(C)C ZINC000193979894 373500563 /nfs/dbraw/zinc/50/05/63/373500563.db2.gz RGARVYFPZQTEAG-VHSXEESVSA-N 1 2 284.360 -1.210 20 0 CAADLO CNC(=O)[C@H]1CCC[N@H+]1CC(=O)N[C@@H](C)C(=O)N(C)C ZINC000193979894 373500572 /nfs/dbraw/zinc/50/05/72/373500572.db2.gz RGARVYFPZQTEAG-VHSXEESVSA-N 1 2 284.360 -1.210 20 0 CAADLO CNC(=O)[C@H]1CCC[N@@H+]1CC(=O)N[C@H](C)C(=O)N(C)C ZINC000193979907 373500933 /nfs/dbraw/zinc/50/09/33/373500933.db2.gz RGARVYFPZQTEAG-NXEZZACHSA-N 1 2 284.360 -1.210 20 0 CAADLO CNC(=O)[C@H]1CCC[N@H+]1CC(=O)N[C@H](C)C(=O)N(C)C ZINC000193979907 373500937 /nfs/dbraw/zinc/50/09/37/373500937.db2.gz RGARVYFPZQTEAG-NXEZZACHSA-N 1 2 284.360 -1.210 20 0 CAADLO CC[N@H+](CC(N)=O)CC(=O)N1CCC[C@H](NC(C)=O)C1 ZINC000191716522 373501117 /nfs/dbraw/zinc/50/11/17/373501117.db2.gz SZRVKXKBXMLGTA-NSHDSACASA-N 1 2 284.360 -1.079 20 0 CAADLO CC[N@@H+](CC(N)=O)CC(=O)N1CCC[C@H](NC(C)=O)C1 ZINC000191716522 373501123 /nfs/dbraw/zinc/50/11/23/373501123.db2.gz SZRVKXKBXMLGTA-NSHDSACASA-N 1 2 284.360 -1.079 20 0 CAADLO C[C@@H](CNC(=O)[C@H](C)NC(N)=O)[NH+]1CCOCC1 ZINC000185506180 373503305 /nfs/dbraw/zinc/50/33/05/373503305.db2.gz GGCFUQUMZSBBKS-IUCAKERBSA-N 1 2 258.322 -1.120 20 0 CAADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@H](C)NC(N)=O ZINC000185598775 373504416 /nfs/dbraw/zinc/50/44/16/373504416.db2.gz WVXGKXFJPQJSJW-IUCAKERBSA-N 1 2 258.322 -1.120 20 0 CAADLO CNS(=O)(=O)CC(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000343341002 373504455 /nfs/dbraw/zinc/50/44/55/373504455.db2.gz IDWZXCSPVYFAKE-JTQLQIEISA-N 1 2 291.373 -1.485 20 0 CAADLO CNS(=O)(=O)CC(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000343341002 373504462 /nfs/dbraw/zinc/50/44/62/373504462.db2.gz IDWZXCSPVYFAKE-JTQLQIEISA-N 1 2 291.373 -1.485 20 0 CAADLO C[C@@H](CS(C)(=O)=O)NC(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000343400779 373506391 /nfs/dbraw/zinc/50/63/91/373506391.db2.gz VXOYCDIDCKZNHO-WDEREUQCSA-N 1 2 289.401 -1.074 20 0 CAADLO C[C@@H](CS(C)(=O)=O)NC(=O)[C@H]1C[N@H+]2CCN1CCC2 ZINC000343400779 373506405 /nfs/dbraw/zinc/50/64/05/373506405.db2.gz VXOYCDIDCKZNHO-WDEREUQCSA-N 1 2 289.401 -1.074 20 0 CAADLO CC1(C)C[N@H+](CCNC(=O)C[C@H]2NC(=O)NC2=O)CCO1 ZINC000343382619 373507200 /nfs/dbraw/zinc/50/72/00/373507200.db2.gz ZYKFSXTZGOPSLN-SECBINFHSA-N 1 2 298.343 -1.189 20 0 CAADLO CC1(C)C[N@@H+](CCNC(=O)C[C@H]2NC(=O)NC2=O)CCO1 ZINC000343382619 373507213 /nfs/dbraw/zinc/50/72/13/373507213.db2.gz ZYKFSXTZGOPSLN-SECBINFHSA-N 1 2 298.343 -1.189 20 0 CAADLO C[C@H](NC(=O)C(=O)N(C)CCO)[C@H](C)[NH+]1CCOCC1 ZINC000343355698 373507584 /nfs/dbraw/zinc/50/75/84/373507584.db2.gz ZJDBRRLYBBXRDL-QWRGUYRKSA-N 1 2 287.360 -1.338 20 0 CAADLO CNC(=O)C[N@H+](C)[C@@H](C)C(=O)N(C)CC(=O)NC1CC1 ZINC000343593220 373510333 /nfs/dbraw/zinc/51/03/33/373510333.db2.gz VSEXWFTWQOGZQD-VIFPVBQESA-N 1 2 284.360 -1.210 20 0 CAADLO CNC(=O)C[N@@H+](C)[C@@H](C)C(=O)N(C)CC(=O)NC1CC1 ZINC000343593220 373510342 /nfs/dbraw/zinc/51/03/42/373510342.db2.gz VSEXWFTWQOGZQD-VIFPVBQESA-N 1 2 284.360 -1.210 20 0 CAADLO C[C@@](O)(CNC(=O)c1nccnc1N)C[NH+]1CCOCC1 ZINC000343558950 373510491 /nfs/dbraw/zinc/51/04/91/373510491.db2.gz NMFVHHPUKONCMP-CYBMUJFWSA-N 1 2 295.343 -1.128 20 0 CAADLO CN(CCC[N@H+](C)Cc1nnnn1C)Cc1nnnn1C ZINC000343671737 373510674 /nfs/dbraw/zinc/51/06/74/373510674.db2.gz XKWUOCYLMNNOGT-UHFFFAOYSA-N 1 2 294.367 -1.313 20 0 CAADLO CN(CCC[N@@H+](C)Cc1nnnn1C)Cc1nnnn1C ZINC000343671737 373510681 /nfs/dbraw/zinc/51/06/81/373510681.db2.gz XKWUOCYLMNNOGT-UHFFFAOYSA-N 1 2 294.367 -1.313 20 0 CAADLO NC(=O)[C@@H]1CSCC[N@@H+]1CCN1CCNC1=O ZINC000343746002 373513194 /nfs/dbraw/zinc/51/31/94/373513194.db2.gz WMQXRUFLCZBSDN-QMMMGPOBSA-N 1 2 258.347 -1.086 20 0 CAADLO NC(=O)[C@@H]1CSCC[N@H+]1CCN1CCNC1=O ZINC000343746002 373513200 /nfs/dbraw/zinc/51/32/00/373513200.db2.gz WMQXRUFLCZBSDN-QMMMGPOBSA-N 1 2 258.347 -1.086 20 0 CAADLO CNc1nc(NC[C@@H](C)O)nc(NC[C@H](C)O)[nH+]1 ZINC000343798252 373515295 /nfs/dbraw/zinc/51/52/95/373515295.db2.gz ZLUPUOMCOJJAHF-KNVOCYPGSA-N 1 2 256.310 -2.236 20 0 CAADLO CNc1nc(NC[C@H](C)O)nc(NC[C@@H](C)O)[nH+]1 ZINC000343798252 373515309 /nfs/dbraw/zinc/51/53/09/373515309.db2.gz ZLUPUOMCOJJAHF-KNVOCYPGSA-N 1 2 256.310 -2.236 20 0 CAADLO CNc1nc(NC[C@@H](C)O)[nH+]c(NC[C@H](C)O)n1 ZINC000343798252 373515316 /nfs/dbraw/zinc/51/53/16/373515316.db2.gz ZLUPUOMCOJJAHF-KNVOCYPGSA-N 1 2 256.310 -2.236 20 0 CAADLO CNC(=O)N1CC[NH+](CCN2CCNC2=O)CC1 ZINC000343842568 373515628 /nfs/dbraw/zinc/51/56/28/373515628.db2.gz TUTMYGWZCHZZPL-UHFFFAOYSA-N 1 2 255.322 -1.031 20 0 CAADLO COCC[N@H+](CCN1CCNC1=O)[C@H](C)C(N)=O ZINC000343858337 373517088 /nfs/dbraw/zinc/51/70/88/373517088.db2.gz KLXLMGUMFHNYFF-SECBINFHSA-N 1 2 258.322 -1.166 20 0 CAADLO COCC[N@@H+](CCN1CCNC1=O)[C@H](C)C(N)=O ZINC000343858337 373517097 /nfs/dbraw/zinc/51/70/97/373517097.db2.gz KLXLMGUMFHNYFF-SECBINFHSA-N 1 2 258.322 -1.166 20 0 CAADLO COCC[N@H+](CCN1CCNC1=O)[C@@H](C)C(N)=O ZINC000343858344 373517461 /nfs/dbraw/zinc/51/74/61/373517461.db2.gz KLXLMGUMFHNYFF-VIFPVBQESA-N 1 2 258.322 -1.166 20 0 CAADLO COCC[N@@H+](CCN1CCNC1=O)[C@@H](C)C(N)=O ZINC000343858344 373517471 /nfs/dbraw/zinc/51/74/71/373517471.db2.gz KLXLMGUMFHNYFF-VIFPVBQESA-N 1 2 258.322 -1.166 20 0 CAADLO CCNS(=O)(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000346609930 373536038 /nfs/dbraw/zinc/53/60/38/373536038.db2.gz RMWFISHRBHTXOE-VIFPVBQESA-N 1 2 250.368 -1.324 20 0 CAADLO CCNS(=O)(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000346609930 373536048 /nfs/dbraw/zinc/53/60/48/373536048.db2.gz RMWFISHRBHTXOE-VIFPVBQESA-N 1 2 250.368 -1.324 20 0 CAADLO CCNS(=O)(=O)NC[C@H]1CN(C)CC[N@@H+]1C ZINC000346609930 373536057 /nfs/dbraw/zinc/53/60/57/373536057.db2.gz RMWFISHRBHTXOE-VIFPVBQESA-N 1 2 250.368 -1.324 20 0 CAADLO CCNS(=O)(=O)NC[C@H]1CN(C)CC[N@H+]1C ZINC000346609930 373536062 /nfs/dbraw/zinc/53/60/62/373536062.db2.gz RMWFISHRBHTXOE-VIFPVBQESA-N 1 2 250.368 -1.324 20 0 CAADLO CN(C)S(=O)(=O)CC(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000345198140 373527876 /nfs/dbraw/zinc/52/78/76/373527876.db2.gz LZFQOHDNFRMQNI-SNVBAGLBSA-N 1 2 290.389 -2.006 20 0 CAADLO CCS(=O)(=O)NCC[N@H+](CCOC)CC(=O)N(C)C ZINC000345380006 373529640 /nfs/dbraw/zinc/52/96/40/373529640.db2.gz NEMDRVDHZUXVIP-UHFFFAOYSA-N 1 2 295.405 -1.038 20 0 CAADLO CCS(=O)(=O)NCC[N@@H+](CCOC)CC(=O)N(C)C ZINC000345380006 373529651 /nfs/dbraw/zinc/52/96/51/373529651.db2.gz NEMDRVDHZUXVIP-UHFFFAOYSA-N 1 2 295.405 -1.038 20 0 CAADLO CNC(=O)N1CC[NH+](CCN2CCCS2(=O)=O)CC1 ZINC000346478896 373533335 /nfs/dbraw/zinc/53/33/35/373533335.db2.gz AYRLGUCWESCHQQ-UHFFFAOYSA-N 1 2 290.389 -1.021 20 0 CAADLO C[C@@H](C(=O)NC(N)=O)[N@@H+]1CCN2C(=O)CC[C@H]2C1 ZINC000346492657 373533504 /nfs/dbraw/zinc/53/35/04/373533504.db2.gz QRDKMDIZJBOWIZ-YUMQZZPRSA-N 1 2 254.290 -1.124 20 0 CAADLO C[C@@H](C(=O)NC(N)=O)[N@H+]1CCN2C(=O)CC[C@H]2C1 ZINC000346492657 373533510 /nfs/dbraw/zinc/53/35/10/373533510.db2.gz QRDKMDIZJBOWIZ-YUMQZZPRSA-N 1 2 254.290 -1.124 20 0 CAADLO CNC(=O)N1CC[NH+](CCN2C(=O)CNC2=O)CC1 ZINC000346499042 373533707 /nfs/dbraw/zinc/53/37/07/373533707.db2.gz LPJZPNDGNDGKOY-UHFFFAOYSA-N 1 2 269.305 -1.505 20 0 CAADLO CNC(=O)N1CC[NH+](Cc2cc(=O)n(C)c(=O)n2C)CC1 ZINC000346451707 373533990 /nfs/dbraw/zinc/53/39/90/373533990.db2.gz GNLFAUUPQCTONF-UHFFFAOYSA-N 1 2 295.343 -1.459 20 0 CAADLO C[C@H](C(=O)N(C)CC(=O)NC1CC1)[N@H+](C)[C@H]1CCNC1=O ZINC000535382032 373485964 /nfs/dbraw/zinc/48/59/64/373485964.db2.gz KWNRQFGHYZGBCQ-KOLCDFICSA-N 1 2 296.371 -1.068 20 0 CAADLO C[C@H](C(=O)N(C)CC(=O)NC1CC1)[N@@H+](C)[C@H]1CCNC1=O ZINC000535382032 373485973 /nfs/dbraw/zinc/48/59/73/373485973.db2.gz KWNRQFGHYZGBCQ-KOLCDFICSA-N 1 2 296.371 -1.068 20 0 CAADLO C[C@H](CNC(=O)Cn1ccc(=O)[nH]c1=O)[NH+]1CCOCC1 ZINC000047639804 373486652 /nfs/dbraw/zinc/48/66/52/373486652.db2.gz NXDSRVFGQOBAGF-SNVBAGLBSA-N 1 2 296.327 -1.627 20 0 CAADLO CNC(=O)[C@@H]1CCC[N@@H+]1CC(=O)NCC(=O)OC ZINC000330615454 373488764 /nfs/dbraw/zinc/48/87/64/373488764.db2.gz COKMFJYTQKGOOB-QMMMGPOBSA-N 1 2 257.290 -1.514 20 0 CAADLO CNC(=O)[C@@H]1CCC[N@H+]1CC(=O)NCC(=O)OC ZINC000330615454 373488773 /nfs/dbraw/zinc/48/87/73/373488773.db2.gz COKMFJYTQKGOOB-QMMMGPOBSA-N 1 2 257.290 -1.514 20 0 CAADLO CNS(=O)(=O)NCC(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000330465768 373489302 /nfs/dbraw/zinc/48/93/02/373489302.db2.gz WDNLFNWYEOCAON-SECBINFHSA-N 1 2 294.377 -2.123 20 0 CAADLO CO[C@H]1C[C@@H](CO)[N@H+](CC(=O)N[C@@H](C)C(=O)N(C)C)C1 ZINC000330533793 373489999 /nfs/dbraw/zinc/48/99/99/373489999.db2.gz IEVXJCRTSPXZHH-DCAQKATOSA-N 1 2 287.360 -1.339 20 0 CAADLO CO[C@H]1C[C@@H](CO)[N@@H+](CC(=O)N[C@@H](C)C(=O)N(C)C)C1 ZINC000330533793 373490008 /nfs/dbraw/zinc/49/00/08/373490008.db2.gz IEVXJCRTSPXZHH-DCAQKATOSA-N 1 2 287.360 -1.339 20 0 CAADLO CN(CC(F)(F)F)C(=O)C[N@@H+]1CC[C@](O)(C(N)=O)C1 ZINC000351646928 373579572 /nfs/dbraw/zinc/57/95/72/373579572.db2.gz QHFBXDDVPLPQCF-SECBINFHSA-N 1 2 283.250 -1.071 20 0 CAADLO CN(CC(F)(F)F)C(=O)C[N@H+]1CC[C@](O)(C(N)=O)C1 ZINC000351646928 373579578 /nfs/dbraw/zinc/57/95/78/373579578.db2.gz QHFBXDDVPLPQCF-SECBINFHSA-N 1 2 283.250 -1.071 20 0 CAADLO O=C(N[C@H]1Cc2c[nH+]cn2C1)[C@@H]1CC(=O)NC(=O)N1 ZINC000623258015 373579986 /nfs/dbraw/zinc/57/99/86/373579986.db2.gz DFLBHGQDIYIELU-XPUUQOCRSA-N 1 2 263.257 -1.478 20 0 CAADLO O=C(CN1CCOCC1=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623259677 373580619 /nfs/dbraw/zinc/58/06/19/373580619.db2.gz HUQLUVTZTTXFTE-VIFPVBQESA-N 1 2 264.285 -1.217 20 0 CAADLO CN(C)S(=O)(=O)CC[N@H+](C)CC(=O)N1CCOCC1 ZINC000351852013 373580669 /nfs/dbraw/zinc/58/06/69/373580669.db2.gz BJYNBBGXVZRVHD-UHFFFAOYSA-N 1 2 293.389 -1.332 20 0 CAADLO CN(C)S(=O)(=O)CC[N@@H+](C)CC(=O)N1CCOCC1 ZINC000351852013 373580675 /nfs/dbraw/zinc/58/06/75/373580675.db2.gz BJYNBBGXVZRVHD-UHFFFAOYSA-N 1 2 293.389 -1.332 20 0 CAADLO COC[C@H](O)C[NH+]1CCN(Cc2nc[nH]n2)CC1 ZINC000639722381 373596644 /nfs/dbraw/zinc/59/66/44/373596644.db2.gz ZJDJQVDOVUBNLC-SNVBAGLBSA-N 1 2 255.322 -1.070 20 0 CAADLO COC[C@H](O)C[NH+]1CCN(Cc2nnc[nH]2)CC1 ZINC000639722381 373596652 /nfs/dbraw/zinc/59/66/52/373596652.db2.gz ZJDJQVDOVUBNLC-SNVBAGLBSA-N 1 2 255.322 -1.070 20 0 CAADLO C[C@H]1CN(CC[N@@H+]2CCN3C(=O)C(=O)NC[C@@H]3C2)CCO1 ZINC000329967053 373583143 /nfs/dbraw/zinc/58/31/43/373583143.db2.gz VYRVVIXECWWYON-NWDGAFQWSA-N 1 2 296.371 -1.650 20 0 CAADLO C[C@H]1CN(CC[N@H+]2CCN3C(=O)C(=O)NC[C@@H]3C2)CCO1 ZINC000329967053 373583148 /nfs/dbraw/zinc/58/31/48/373583148.db2.gz VYRVVIXECWWYON-NWDGAFQWSA-N 1 2 296.371 -1.650 20 0 CAADLO COC(=O)[C@H]1C[C@H](O)C[N@@H+]1CCCS(=O)(=O)N(C)C ZINC000352044925 373583177 /nfs/dbraw/zinc/58/31/77/373583177.db2.gz MFVGVSSGXUKQLP-VHSXEESVSA-N 1 2 294.373 -1.124 20 0 CAADLO COC(=O)[C@H]1C[C@H](O)C[N@H+]1CCCS(=O)(=O)N(C)C ZINC000352044925 373583183 /nfs/dbraw/zinc/58/31/83/373583183.db2.gz MFVGVSSGXUKQLP-VHSXEESVSA-N 1 2 294.373 -1.124 20 0 CAADLO C[C@@H]1C[N@H+](CCNC(=O)CN2CC(=O)NC2=O)[C@@H](C)CO1 ZINC000617732185 373584363 /nfs/dbraw/zinc/58/43/63/373584363.db2.gz BRXPGUOCFZRQDO-VHSXEESVSA-N 1 2 298.343 -1.236 20 0 CAADLO C[C@@H]1C[N@@H+](CCNC(=O)CN2CC(=O)NC2=O)[C@@H](C)CO1 ZINC000617732185 373584376 /nfs/dbraw/zinc/58/43/76/373584376.db2.gz BRXPGUOCFZRQDO-VHSXEESVSA-N 1 2 298.343 -1.236 20 0 CAADLO CNS(=O)(=O)CC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000617730390 373584623 /nfs/dbraw/zinc/58/46/23/373584623.db2.gz LXINDONQQOJBIR-VHSXEESVSA-N 1 2 293.389 -1.239 20 0 CAADLO CNS(=O)(=O)CC(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000617730390 373584628 /nfs/dbraw/zinc/58/46/28/373584628.db2.gz LXINDONQQOJBIR-VHSXEESVSA-N 1 2 293.389 -1.239 20 0 CAADLO C[C@@H]1C[N@H+](CCNC(=O)Cn2cnnn2)[C@H](C)CO1 ZINC000617740114 373584735 /nfs/dbraw/zinc/58/47/35/373584735.db2.gz BFKDDGRKWNUYSL-NXEZZACHSA-N 1 2 268.321 -1.102 20 0 CAADLO C[C@@H]1C[N@@H+](CCNC(=O)Cn2cnnn2)[C@H](C)CO1 ZINC000617740114 373584748 /nfs/dbraw/zinc/58/47/48/373584748.db2.gz BFKDDGRKWNUYSL-NXEZZACHSA-N 1 2 268.321 -1.102 20 0 CAADLO CNS(=O)(=O)CC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000617730388 373584954 /nfs/dbraw/zinc/58/49/54/373584954.db2.gz LXINDONQQOJBIR-NXEZZACHSA-N 1 2 293.389 -1.239 20 0 CAADLO CNS(=O)(=O)CC(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000617730388 373584959 /nfs/dbraw/zinc/58/49/59/373584959.db2.gz LXINDONQQOJBIR-NXEZZACHSA-N 1 2 293.389 -1.239 20 0 CAADLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)Cn1ncn(C)c1=O ZINC000617728793 373585213 /nfs/dbraw/zinc/58/52/13/373585213.db2.gz YDFOWVJDMKPLLX-MNOVXSKESA-N 1 2 297.359 -1.193 20 0 CAADLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)Cn1ncn(C)c1=O ZINC000617728793 373585223 /nfs/dbraw/zinc/58/52/23/373585223.db2.gz YDFOWVJDMKPLLX-MNOVXSKESA-N 1 2 297.359 -1.193 20 0 CAADLO O=C1CN(C[C@@H](O)C[NH+]2CCOCC2)CN1C1CC1 ZINC000333372856 373585283 /nfs/dbraw/zinc/58/52/83/373585283.db2.gz ZVFOONREBBJOCG-LBPRGKRZSA-N 1 2 269.345 -1.056 20 0 CAADLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)CN1CC(=O)NC1=O ZINC000617732186 373585351 /nfs/dbraw/zinc/58/53/51/373585351.db2.gz BRXPGUOCFZRQDO-ZJUUUORDSA-N 1 2 298.343 -1.236 20 0 CAADLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)CN1CC(=O)NC1=O ZINC000617732186 373585356 /nfs/dbraw/zinc/58/53/56/373585356.db2.gz BRXPGUOCFZRQDO-ZJUUUORDSA-N 1 2 298.343 -1.236 20 0 CAADLO C[C@H]1C[N@H+](CCNC(=O)C[C@@H]2NC(=O)NC2=O)[C@@H](C)CO1 ZINC000617727417 373585429 /nfs/dbraw/zinc/58/54/29/373585429.db2.gz IPAZYSXPYWIYRR-GUBZILKMSA-N 1 2 298.343 -1.190 20 0 CAADLO C[C@H]1C[N@@H+](CCNC(=O)C[C@@H]2NC(=O)NC2=O)[C@@H](C)CO1 ZINC000617727417 373585437 /nfs/dbraw/zinc/58/54/37/373585437.db2.gz IPAZYSXPYWIYRR-GUBZILKMSA-N 1 2 298.343 -1.190 20 0 CAADLO C[C@@H]1C[N@H+](CCNC(=O)C[C@@H]2NC(=O)NC2=O)[C@@H](C)CO1 ZINC000617727415 373585742 /nfs/dbraw/zinc/58/57/42/373585742.db2.gz IPAZYSXPYWIYRR-AEJSXWLSSA-N 1 2 298.343 -1.190 20 0 CAADLO C[C@@H]1C[N@@H+](CCNC(=O)C[C@@H]2NC(=O)NC2=O)[C@@H](C)CO1 ZINC000617727415 373585745 /nfs/dbraw/zinc/58/57/45/373585745.db2.gz IPAZYSXPYWIYRR-AEJSXWLSSA-N 1 2 298.343 -1.190 20 0 CAADLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)C[C@@H]1NC(=O)NC1=O ZINC000617727418 373585867 /nfs/dbraw/zinc/58/58/67/373585867.db2.gz IPAZYSXPYWIYRR-UTLUCORTSA-N 1 2 298.343 -1.190 20 0 CAADLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)C[C@@H]1NC(=O)NC1=O ZINC000617727418 373585870 /nfs/dbraw/zinc/58/58/70/373585870.db2.gz IPAZYSXPYWIYRR-UTLUCORTSA-N 1 2 298.343 -1.190 20 0 CAADLO Cn1ncc2c1nc(N1CCN(C(=O)CO)CC1)[nH+]c2N ZINC000302688752 373596967 /nfs/dbraw/zinc/59/69/67/373596967.db2.gz REDXIPWRZBVRIS-UHFFFAOYSA-N 1 2 291.315 -1.414 20 0 CAADLO C[C@@H]1NC(=O)N(CC[NH+]2CCN(c3nc[nH]n3)CC2)C1=O ZINC000639732339 373597126 /nfs/dbraw/zinc/59/71/26/373597126.db2.gz QRLSYJISBZPAIK-VIFPVBQESA-N 1 2 293.331 -1.133 20 0 CAADLO CNC(=O)NC(=O)[C@@H](C)[N@H+](C)[C@H]1CCN(C)C1=O ZINC000352669379 373591510 /nfs/dbraw/zinc/59/15/10/373591510.db2.gz ZKKXLNLGJCPEQG-SFYZADRCSA-N 1 2 256.306 -1.007 20 0 CAADLO CNC(=O)NC(=O)[C@@H](C)[N@@H+](C)[C@H]1CCN(C)C1=O ZINC000352669379 373591518 /nfs/dbraw/zinc/59/15/18/373591518.db2.gz ZKKXLNLGJCPEQG-SFYZADRCSA-N 1 2 256.306 -1.007 20 0 CAADLO Cc1nc(CN2CC[NH+](CCC(=O)NC(N)=O)CC2)n[nH]1 ZINC000609849116 373592582 /nfs/dbraw/zinc/59/25/82/373592582.db2.gz BSLGAMYJMVTWML-UHFFFAOYSA-N 1 2 295.347 -1.184 20 0 CAADLO Cc1nnc(CN2CC[NH+]([C@@H](C)C(=O)NC(N)=O)CC2)[nH]1 ZINC000609849506 373593565 /nfs/dbraw/zinc/59/35/65/373593565.db2.gz QNYMMJCVPFCGDL-QMMMGPOBSA-N 1 2 295.347 -1.186 20 0 CAADLO Cc1nnc(CN2CC[NH+](CC(=O)NC(N)=O)CC2)[nH]1 ZINC000609849173 373593960 /nfs/dbraw/zinc/59/39/60/373593960.db2.gz KJGGZFFQYXDQAL-UHFFFAOYSA-N 1 2 281.320 -1.574 20 0 CAADLO COC[C@@H](O)C[NH+]1CCN(C(=O)C(=O)NC(C)C)CC1 ZINC000346564918 373537152 /nfs/dbraw/zinc/53/71/52/373537152.db2.gz MWRGHNJNXKCEID-NSHDSACASA-N 1 2 287.360 -1.338 20 0 CAADLO COC(=O)C[N@@H+]1CCC[C@@H](CNS(N)(=O)=O)C1 ZINC000346680328 373539265 /nfs/dbraw/zinc/53/92/65/373539265.db2.gz WXRMNXDRDKWEJN-QMMMGPOBSA-N 1 2 265.335 -1.336 20 0 CAADLO COC(=O)C[N@H+]1CCC[C@@H](CNS(N)(=O)=O)C1 ZINC000346680328 373539274 /nfs/dbraw/zinc/53/92/74/373539274.db2.gz WXRMNXDRDKWEJN-QMMMGPOBSA-N 1 2 265.335 -1.336 20 0 CAADLO COC[C@H](O)C[N@@H+]1CCNC(=O)[C@@H]1CC(=O)OC ZINC000348036722 373541651 /nfs/dbraw/zinc/54/16/51/373541651.db2.gz JHJXXDPEJOEACX-BDAKNGLRSA-N 1 2 260.290 -1.643 20 0 CAADLO COC[C@H](O)C[N@H+]1CCNC(=O)[C@@H]1CC(=O)OC ZINC000348036722 373541657 /nfs/dbraw/zinc/54/16/57/373541657.db2.gz JHJXXDPEJOEACX-BDAKNGLRSA-N 1 2 260.290 -1.643 20 0 CAADLO COC[C@H](O)C[N@@H+]1CCNC(=O)[C@H]1CC(=O)OC ZINC000348036745 373542728 /nfs/dbraw/zinc/54/27/28/373542728.db2.gz JHJXXDPEJOEACX-RKDXNWHRSA-N 1 2 260.290 -1.643 20 0 CAADLO COC[C@H](O)C[N@H+]1CCNC(=O)[C@H]1CC(=O)OC ZINC000348036745 373542734 /nfs/dbraw/zinc/54/27/34/373542734.db2.gz JHJXXDPEJOEACX-RKDXNWHRSA-N 1 2 260.290 -1.643 20 0 CAADLO CCOC(=O)[C@@H](C)N1CC[NH+](CCS(N)(=O)=O)CC1 ZINC000348322445 373547957 /nfs/dbraw/zinc/54/79/57/373547957.db2.gz GBDDRPWRLNQVTH-SNVBAGLBSA-N 1 2 293.389 -1.156 20 0 CAADLO CCOC(=O)[C@H](C)N1CC[NH+](CCS(N)(=O)=O)CC1 ZINC000348322444 373548227 /nfs/dbraw/zinc/54/82/27/373548227.db2.gz GBDDRPWRLNQVTH-JTQLQIEISA-N 1 2 293.389 -1.156 20 0 CAADLO O=C1[C@H]2CNC(=O)CN2C(=O)N1CCC[NH+]1CCOCC1 ZINC000348428628 373548296 /nfs/dbraw/zinc/54/82/96/373548296.db2.gz BAUZTKLFONYSOM-SNVBAGLBSA-N 1 2 296.327 -1.529 20 0 CAADLO O=C1[C@@H]2CNC(=O)CN2C(=O)N1CCC[NH+]1CCOCC1 ZINC000348428625 373548701 /nfs/dbraw/zinc/54/87/01/373548701.db2.gz BAUZTKLFONYSOM-JTQLQIEISA-N 1 2 296.327 -1.529 20 0 CAADLO CC[NH+](CC)CC(=O)N[C@@H]1CS(=O)(=O)C[C@H]1O ZINC000583509678 373552555 /nfs/dbraw/zinc/55/25/55/373552555.db2.gz SXCFXGIVXXRUFW-RKDXNWHRSA-N 1 2 264.347 -1.398 20 0 CAADLO CNC(=O)NCC(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000535567426 373553829 /nfs/dbraw/zinc/55/38/29/373553829.db2.gz ZJVIZFKFCFYCOB-SECBINFHSA-N 1 2 258.322 -1.248 20 0 CAADLO CNC(=O)NCC(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000535567426 373553840 /nfs/dbraw/zinc/55/38/40/373553840.db2.gz ZJVIZFKFCFYCOB-SECBINFHSA-N 1 2 258.322 -1.248 20 0 CAADLO CC(C)(O)CC(=O)NCC(=O)NCC[NH+]1CCOCC1 ZINC000349715949 373555812 /nfs/dbraw/zinc/55/58/12/373555812.db2.gz QIOWQPMXULPDLW-UHFFFAOYSA-N 1 2 287.360 -1.288 20 0 CAADLO CO[C@@H](C(=O)NCC(=O)NCC[NH+]1CCOCC1)C1CC1 ZINC000349711654 373555868 /nfs/dbraw/zinc/55/58/68/373555868.db2.gz IDHCIFAAQYSEMY-CYBMUJFWSA-N 1 2 299.371 -1.024 20 0 CAADLO CC(=O)N1CC(C(=O)NCC[NH+]2CCN(C(C)=O)CC2)C1 ZINC000349792373 373556987 /nfs/dbraw/zinc/55/69/87/373556987.db2.gz RTUOEXFHPAUPGR-UHFFFAOYSA-N 1 2 296.371 -1.255 20 0 CAADLO CNC(=O)[C@H]1CN(C(=O)CN2CC[NH2+]CC2=O)CCO1 ZINC000583563169 373558846 /nfs/dbraw/zinc/55/88/46/373558846.db2.gz GKDZEHIGMWDFDB-SECBINFHSA-N 1 2 284.316 -2.608 20 0 CAADLO O=C(C[NH+]1CCN(c2nc[nH]n2)CC1)N1CCNC1=O ZINC000639728624 373595439 /nfs/dbraw/zinc/59/54/39/373595439.db2.gz LMCPPYRIPBQUAJ-UHFFFAOYSA-N 1 2 279.304 -1.522 20 0 CAADLO CNC(=O)[C@@H]1CN(C(=O)CN2CC[NH2+]CC2=O)CCO1 ZINC000583563170 373559673 /nfs/dbraw/zinc/55/96/73/373559673.db2.gz GKDZEHIGMWDFDB-VIFPVBQESA-N 1 2 284.316 -2.608 20 0 CAADLO C[N@H+](CCN1CCCS1(=O)=O)[C@H]1CCNC1=O ZINC000536174155 373560981 /nfs/dbraw/zinc/56/09/81/373560981.db2.gz GGRLPXWTCPAOOE-VIFPVBQESA-N 1 2 261.347 -1.158 20 0 CAADLO C[N@@H+](CCN1CCCS1(=O)=O)[C@H]1CCNC1=O ZINC000536174155 373560988 /nfs/dbraw/zinc/56/09/88/373560988.db2.gz GGRLPXWTCPAOOE-VIFPVBQESA-N 1 2 261.347 -1.158 20 0 CAADLO CC1(C)C(=O)NCCN1C[C@H](O)C[NH+]1CCOCC1 ZINC000114898062 373561944 /nfs/dbraw/zinc/56/19/44/373561944.db2.gz WHFDKNRVOKBJBL-LLVKDONJSA-N 1 2 271.361 -1.110 20 0 CAADLO CC1(C)C(=O)NCC[N@H+]1C[C@H](O)CN1CCOCC1 ZINC000114898062 373561950 /nfs/dbraw/zinc/56/19/50/373561950.db2.gz WHFDKNRVOKBJBL-LLVKDONJSA-N 1 2 271.361 -1.110 20 0 CAADLO CC1(C)C(=O)NCC[N@@H+]1C[C@H](O)CN1CCOCC1 ZINC000114898062 373561956 /nfs/dbraw/zinc/56/19/56/373561956.db2.gz WHFDKNRVOKBJBL-LLVKDONJSA-N 1 2 271.361 -1.110 20 0 CAADLO Nc1[nH+]cnc2c1c(F)cn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O ZINC000034441457 373562010 /nfs/dbraw/zinc/56/20/10/373562010.db2.gz KRRZKBNCONNKPI-IOSLPCCCSA-N 1 2 284.247 -1.236 20 0 CAADLO C[N@H+](CCN1CCCS1(=O)=O)[C@@H]1CCNC1=O ZINC000536174110 373562039 /nfs/dbraw/zinc/56/20/39/373562039.db2.gz GGRLPXWTCPAOOE-SECBINFHSA-N 1 2 261.347 -1.158 20 0 CAADLO C[N@@H+](CCN1CCCS1(=O)=O)[C@@H]1CCNC1=O ZINC000536174110 373562043 /nfs/dbraw/zinc/56/20/43/373562043.db2.gz GGRLPXWTCPAOOE-SECBINFHSA-N 1 2 261.347 -1.158 20 0 CAADLO O=C1CNC(=O)N1CC[NH+]1CCN(c2nc[nH]n2)CC1 ZINC000639730408 373595683 /nfs/dbraw/zinc/59/56/83/373595683.db2.gz JXURNTXKXBWYCN-UHFFFAOYSA-N 1 2 279.304 -1.522 20 0 CAADLO CNS(=O)(=O)CC[NH+]1CCN(c2nc[nH]n2)CC1 ZINC000639731208 373595726 /nfs/dbraw/zinc/59/57/26/373595726.db2.gz DVYRDIWOCBGTSG-UHFFFAOYSA-N 1 2 274.350 -1.524 20 0 CAADLO O=C1C[N@H+](CCCNc2nccn3nnnc23)CCN1 ZINC000536765747 373566074 /nfs/dbraw/zinc/56/60/74/373566074.db2.gz BDZMGJKWHDNLBE-UHFFFAOYSA-N 1 2 276.304 -1.247 20 0 CAADLO O=C1C[N@@H+](CCCNc2nccn3nnnc23)CCN1 ZINC000536765747 373566079 /nfs/dbraw/zinc/56/60/79/373566079.db2.gz BDZMGJKWHDNLBE-UHFFFAOYSA-N 1 2 276.304 -1.247 20 0 CAADLO Cn1[nH]cnc1=NC(=O)N1C[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000329184318 373566678 /nfs/dbraw/zinc/56/66/78/373566678.db2.gz PTSXRJNWWXAMSQ-IUCAKERBSA-N 1 2 266.305 -1.216 20 0 CAADLO Cn1[nH]cnc1=NC(=O)N1C[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000329184318 373566683 /nfs/dbraw/zinc/56/66/83/373566683.db2.gz PTSXRJNWWXAMSQ-IUCAKERBSA-N 1 2 266.305 -1.216 20 0 CAADLO Cn1cc(S(=O)(=O)NC[C@H]2C[N@H+](C)CCN2C)cn1 ZINC000329374921 373567472 /nfs/dbraw/zinc/56/74/72/373567472.db2.gz NPBZLYDHYBSYJO-JTQLQIEISA-N 1 2 287.389 -1.056 20 0 CAADLO Cn1cc(S(=O)(=O)NC[C@H]2C[N@@H+](C)CCN2C)cn1 ZINC000329374921 373567482 /nfs/dbraw/zinc/56/74/82/373567482.db2.gz NPBZLYDHYBSYJO-JTQLQIEISA-N 1 2 287.389 -1.056 20 0 CAADLO O=C1NCCN1CC[NH+]1CCN(c2nc[nH]n2)CC1 ZINC000639732387 373595975 /nfs/dbraw/zinc/59/59/75/373595975.db2.gz RPNKYXPBITZNGW-UHFFFAOYSA-N 1 2 265.321 -1.048 20 0 CAADLO CCNC(=O)C[NH+]1CCN(c2ccc(C(N)=O)nn2)CC1 ZINC000608752600 373571092 /nfs/dbraw/zinc/57/10/92/373571092.db2.gz UKWMUKHAWUSASH-UHFFFAOYSA-N 1 2 292.343 -1.166 20 0 CAADLO CN(C)C(=O)C[NH+]1CCN(c2ccc(C(N)=O)nn2)CC1 ZINC000608752556 373572274 /nfs/dbraw/zinc/57/22/74/373572274.db2.gz NGLODUJSIHUWFL-UHFFFAOYSA-N 1 2 292.343 -1.214 20 0 CAADLO CCCC(=O)NCC(=O)N[C@H](CO)C[NH+]1CCOCC1 ZINC000351504624 373572371 /nfs/dbraw/zinc/57/23/71/373572371.db2.gz KFXLMFUDBWTQAE-NSHDSACASA-N 1 2 287.360 -1.288 20 0 CAADLO COCCCOCC(=O)N[C@H](CO)C[NH+]1CCOCC1 ZINC000351505078 373572414 /nfs/dbraw/zinc/57/24/14/373572414.db2.gz LOXJHVXCJNPLKP-LBPRGKRZSA-N 1 2 290.360 -1.151 20 0 CAADLO CN(Cc1nccn1C)C(=O)CN1CC[NH2+]CC1=O ZINC000583631809 373572987 /nfs/dbraw/zinc/57/29/87/373572987.db2.gz CYNJSQHTOPKBNX-UHFFFAOYSA-N 1 2 265.317 -1.190 20 0 CAADLO COC(=O)[C@H](NC(=O)C[N@@H+]1C[C@H](O)C[C@H]1CO)C(C)C ZINC000351577748 373576549 /nfs/dbraw/zinc/57/65/49/373576549.db2.gz FVSCCDYGAAZDKQ-HOSYDEDBSA-N 1 2 288.344 -1.272 20 0 CAADLO COC(=O)[C@H](NC(=O)C[N@H+]1C[C@H](O)C[C@H]1CO)C(C)C ZINC000351577748 373576553 /nfs/dbraw/zinc/57/65/53/373576553.db2.gz FVSCCDYGAAZDKQ-HOSYDEDBSA-N 1 2 288.344 -1.272 20 0 CAADLO COC(=O)[C@H](NC(=O)C[N@@H+]1C[C@@H](O)C[C@@H]1CO)C(C)C ZINC000351577750 373577549 /nfs/dbraw/zinc/57/75/49/373577549.db2.gz FVSCCDYGAAZDKQ-JFGNBEQYSA-N 1 2 288.344 -1.272 20 0 CAADLO COC(=O)[C@H](NC(=O)C[N@H+]1C[C@@H](O)C[C@@H]1CO)C(C)C ZINC000351577750 373577558 /nfs/dbraw/zinc/57/75/58/373577558.db2.gz FVSCCDYGAAZDKQ-JFGNBEQYSA-N 1 2 288.344 -1.272 20 0 CAADLO CN1CC(=O)N(CC[NH+]2CCN(c3nc[nH]n3)CC2)C1=O ZINC000639731823 373596362 /nfs/dbraw/zinc/59/63/62/373596362.db2.gz LQXJFKHHIPMLQA-UHFFFAOYSA-N 1 2 293.331 -1.179 20 0 CAADLO COCCOC[C@@H](O)C[NH+]1CCN(Cc2nc[nH]n2)CC1 ZINC000639720149 373596441 /nfs/dbraw/zinc/59/64/41/373596441.db2.gz CGGBAOZRGAAOLW-LBPRGKRZSA-N 1 2 299.375 -1.054 20 0 CAADLO COCCOC[C@@H](O)C[NH+]1CCN(Cc2nnc[nH]2)CC1 ZINC000639720149 373596447 /nfs/dbraw/zinc/59/64/47/373596447.db2.gz CGGBAOZRGAAOLW-LBPRGKRZSA-N 1 2 299.375 -1.054 20 0 CAADLO Cc1nn(CC(=O)NCC[N@H+]2CCOC[C@H]2C)c(=O)o1 ZINC000639678929 373596506 /nfs/dbraw/zinc/59/65/06/373596506.db2.gz HGGGZBOSBNQANB-SECBINFHSA-N 1 2 284.316 -1.018 20 0 CAADLO Cc1nn(CC(=O)NCC[N@@H+]2CCOC[C@H]2C)c(=O)o1 ZINC000639678929 373596511 /nfs/dbraw/zinc/59/65/11/373596511.db2.gz HGGGZBOSBNQANB-SECBINFHSA-N 1 2 284.316 -1.018 20 0 CAADLO CN(CC(=O)N1C[C@@H]2OCC[N@H+](C)[C@H]2C1)S(C)(=O)=O ZINC000351702329 373579025 /nfs/dbraw/zinc/57/90/25/373579025.db2.gz HXNPAGOYSCYACT-UWVGGRQHSA-N 1 2 291.373 -1.581 20 0 CAADLO CN(CC(=O)N1C[C@@H]2OCC[N@@H+](C)[C@H]2C1)S(C)(=O)=O ZINC000351702329 373579029 /nfs/dbraw/zinc/57/90/29/373579029.db2.gz HXNPAGOYSCYACT-UWVGGRQHSA-N 1 2 291.373 -1.581 20 0 CAADLO COC(=O)[C@H](NC(=O)C[NH+]1C[C@@H](O)[C@H](O)C1)C(C)C ZINC000351635882 373579065 /nfs/dbraw/zinc/57/90/65/373579065.db2.gz QVAGURAWQHOMBH-FXPVBKGRSA-N 1 2 274.317 -1.662 20 0 CAADLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)Cn1cnnn1 ZINC000367728126 373623058 /nfs/dbraw/zinc/62/30/58/373623058.db2.gz RDCZZRLJVZGPNR-GHMZBOCLSA-N 1 2 280.332 -1.005 20 0 CAADLO CS(=O)(=O)NCC[N@@H+]1CCN2C(=O)OC[C@@H]2C1 ZINC000370555902 373625705 /nfs/dbraw/zinc/62/57/05/373625705.db2.gz FGHLIVDHHVYRPJ-QMMMGPOBSA-N 1 2 263.319 -1.328 20 0 CAADLO CS(=O)(=O)NCC[N@H+]1CCN2C(=O)OC[C@@H]2C1 ZINC000370555902 373625707 /nfs/dbraw/zinc/62/57/07/373625707.db2.gz FGHLIVDHHVYRPJ-QMMMGPOBSA-N 1 2 263.319 -1.328 20 0 CAADLO CNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCN2C(=O)OC[C@H]2C1 ZINC000370558387 373625939 /nfs/dbraw/zinc/62/59/39/373625939.db2.gz PEQCYWZONFEEAM-HTQZYQBOSA-N 1 2 270.289 -1.033 20 0 CAADLO CNC(=O)NC(=O)[C@@H](C)[N@H+]1CCN2C(=O)OC[C@H]2C1 ZINC000370558387 373625942 /nfs/dbraw/zinc/62/59/42/373625942.db2.gz PEQCYWZONFEEAM-HTQZYQBOSA-N 1 2 270.289 -1.033 20 0 CAADLO O=C(CN1CC[NH2+]CC1=O)NCC1CCOCC1 ZINC000583690705 373630395 /nfs/dbraw/zinc/63/03/95/373630395.db2.gz BPGRCYWLTLPTKP-UHFFFAOYSA-N 1 2 255.318 -1.039 20 0 CAADLO CCOC(=O)[C@H](N)C(=O)N1CC[NH+](CCO)CC1 ZINC000223908915 373630737 /nfs/dbraw/zinc/63/07/37/373630737.db2.gz UHOHETJRWSHJKC-SECBINFHSA-N 1 2 259.306 -1.987 20 0 CAADLO CCOC(=O)[C@@H](N)C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000223933098 373632511 /nfs/dbraw/zinc/63/25/11/373632511.db2.gz SFDBKYZDDOWKDG-UWVGGRQHSA-N 1 2 273.333 -1.286 20 0 CAADLO CNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCN2CCOC[C@H]2C1 ZINC000368212776 373634958 /nfs/dbraw/zinc/63/49/58/373634958.db2.gz PYKYFWVAQSCJME-NXEZZACHSA-N 1 2 270.333 -1.153 20 0 CAADLO CNC(=O)NC(=O)[C@@H](C)[N@H+]1CCN2CCOC[C@H]2C1 ZINC000368212776 373634968 /nfs/dbraw/zinc/63/49/68/373634968.db2.gz PYKYFWVAQSCJME-NXEZZACHSA-N 1 2 270.333 -1.153 20 0 CAADLO C[C@@H](C(=O)NC(N)=O)[N@@H+]1CCN2CCOC[C@H]2C1 ZINC000368212503 373635481 /nfs/dbraw/zinc/63/54/81/373635481.db2.gz OJRNELNBDXQQSE-DTWKUNHWSA-N 1 2 256.306 -1.414 20 0 CAADLO C[C@@H](C(=O)NC(N)=O)[N@H+]1CCN2CCOC[C@H]2C1 ZINC000368212503 373635488 /nfs/dbraw/zinc/63/54/88/373635488.db2.gz OJRNELNBDXQQSE-DTWKUNHWSA-N 1 2 256.306 -1.414 20 0 CAADLO O=C(NC[C@H]1C[NH+]2CCN1CC2)C1=COCCO1 ZINC000178621695 373637137 /nfs/dbraw/zinc/63/71/37/373637137.db2.gz NGDCWBFELNHFEF-JTQLQIEISA-N 1 2 253.302 -1.009 20 0 CAADLO C[C@@H](C(=O)N(CC(N)=O)CC(N)=O)[NH+]1CC(C)C1 ZINC000583271666 373637668 /nfs/dbraw/zinc/63/76/68/373637668.db2.gz LPLKHGCMCRXSFR-QMMMGPOBSA-N 1 2 256.306 -1.874 20 0 CAADLO CNC(=O)NC(=O)C[N@@H+]1CCC[C@@H](NS(C)(=O)=O)C1 ZINC000041621630 373658095 /nfs/dbraw/zinc/65/80/95/373658095.db2.gz GTVTWZHUNXIEDH-MRVPVSSYSA-N 1 2 292.361 -1.544 20 0 CAADLO CNC(=O)NC(=O)C[N@H+]1CCC[C@@H](NS(C)(=O)=O)C1 ZINC000041621630 373658101 /nfs/dbraw/zinc/65/81/01/373658101.db2.gz GTVTWZHUNXIEDH-MRVPVSSYSA-N 1 2 292.361 -1.544 20 0 CAADLO CN(C)C(=O)N1CC[NH+](CCN2C(=O)CNC2=O)CC1 ZINC000584457847 373643468 /nfs/dbraw/zinc/64/34/68/373643468.db2.gz NFJOZACSBQAKJS-UHFFFAOYSA-N 1 2 283.332 -1.163 20 0 CAADLO CCN1C(=O)[C@H]2C[N@@H+]([C@H](C)C(=O)NC(N)=O)CCN2C1=O ZINC000610616141 373644959 /nfs/dbraw/zinc/64/49/59/373644959.db2.gz QWLKVIHJAHYBBA-HTQZYQBOSA-N 1 2 297.315 -1.462 20 0 CAADLO CCN1C(=O)[C@H]2C[N@H+]([C@H](C)C(=O)NC(N)=O)CCN2C1=O ZINC000610616141 373644961 /nfs/dbraw/zinc/64/49/61/373644961.db2.gz QWLKVIHJAHYBBA-HTQZYQBOSA-N 1 2 297.315 -1.462 20 0 CAADLO C[C@H](C(=O)NC(N)=O)[N@H+](C)CCN1CCCS1(=O)=O ZINC000610614882 373645081 /nfs/dbraw/zinc/64/50/81/373645081.db2.gz JBUWKTLWGNACOE-MRVPVSSYSA-N 1 2 292.361 -1.463 20 0 CAADLO C[C@H](C(=O)NC(N)=O)[N@@H+](C)CCN1CCCS1(=O)=O ZINC000610614882 373645084 /nfs/dbraw/zinc/64/50/84/373645084.db2.gz JBUWKTLWGNACOE-MRVPVSSYSA-N 1 2 292.361 -1.463 20 0 CAADLO CCOC(=O)CN(C)C(=O)C[N@H+]1C[C@H](O)C[C@H](O)C1 ZINC000610604209 373645100 /nfs/dbraw/zinc/64/51/00/373645100.db2.gz HQDJRZSXJLJMTC-AOOOYVTPSA-N 1 2 274.317 -1.565 20 0 CAADLO CCOC(=O)CN(C)C(=O)C[N@@H+]1C[C@H](O)C[C@H](O)C1 ZINC000610604209 373645103 /nfs/dbraw/zinc/64/51/03/373645103.db2.gz HQDJRZSXJLJMTC-AOOOYVTPSA-N 1 2 274.317 -1.565 20 0 CAADLO CCN1C(=O)[C@@H]2C[N@@H+]([C@@H](C)C(=O)NC(N)=O)CCN2C1=O ZINC000610616144 373645108 /nfs/dbraw/zinc/64/51/08/373645108.db2.gz QWLKVIHJAHYBBA-YUMQZZPRSA-N 1 2 297.315 -1.462 20 0 CAADLO CCN1C(=O)[C@@H]2C[N@H+]([C@@H](C)C(=O)NC(N)=O)CCN2C1=O ZINC000610616144 373645110 /nfs/dbraw/zinc/64/51/10/373645110.db2.gz QWLKVIHJAHYBBA-YUMQZZPRSA-N 1 2 297.315 -1.462 20 0 CAADLO O=C(C[N@H+]1C[C@H](O)C[C@H](O)C1)NC(=O)NC1CC1 ZINC000610604450 373645300 /nfs/dbraw/zinc/64/53/00/373645300.db2.gz SSEVNAGEIZXTLN-DTORHVGOSA-N 1 2 257.290 -1.598 20 0 CAADLO O=C(C[N@@H+]1C[C@H](O)C[C@H](O)C1)NC(=O)NC1CC1 ZINC000610604450 373645307 /nfs/dbraw/zinc/64/53/07/373645307.db2.gz SSEVNAGEIZXTLN-DTORHVGOSA-N 1 2 257.290 -1.598 20 0 CAADLO CCN1C(=O)[C@H]2C[N@@H+]([C@@H](C)C(=O)NC(N)=O)CCN2C1=O ZINC000610616142 373645440 /nfs/dbraw/zinc/64/54/40/373645440.db2.gz QWLKVIHJAHYBBA-JGVFFNPUSA-N 1 2 297.315 -1.462 20 0 CAADLO CCN1C(=O)[C@H]2C[N@H+]([C@@H](C)C(=O)NC(N)=O)CCN2C1=O ZINC000610616142 373645450 /nfs/dbraw/zinc/64/54/50/373645450.db2.gz QWLKVIHJAHYBBA-JGVFFNPUSA-N 1 2 297.315 -1.462 20 0 CAADLO CNC(=O)NC(=O)C[N@H+](C)CCN1CCCS1(=O)=O ZINC000610604194 373646088 /nfs/dbraw/zinc/64/60/88/373646088.db2.gz GKKATGLDLFFVFM-UHFFFAOYSA-N 1 2 292.361 -1.591 20 0 CAADLO CNC(=O)NC(=O)C[N@@H+](C)CCN1CCCS1(=O)=O ZINC000610604194 373646094 /nfs/dbraw/zinc/64/60/94/373646094.db2.gz GKKATGLDLFFVFM-UHFFFAOYSA-N 1 2 292.361 -1.591 20 0 CAADLO CS(=O)(=O)N1CC[NH+](CCC(=O)NC(N)=O)CC1 ZINC000053843354 373647831 /nfs/dbraw/zinc/64/78/31/373647831.db2.gz VRHOHVHQTNBFGP-UHFFFAOYSA-N 1 2 278.334 -1.851 20 0 CAADLO CN(CC(=O)N1CC[NH+](C)CC1)Cc1nc(=O)n(C)[nH]1 ZINC000640051088 373650442 /nfs/dbraw/zinc/65/04/42/373650442.db2.gz GDERBVGKUAVSGQ-UHFFFAOYSA-N 1 2 282.348 -1.686 20 0 CAADLO C[C@H](C[NH+]1CCOCC1)NC(=O)NCc1nnn(C)n1 ZINC000584756716 373652609 /nfs/dbraw/zinc/65/26/09/373652609.db2.gz SBIYXNYNCKALFR-SECBINFHSA-N 1 2 283.336 -1.270 20 0 CAADLO C[C@@H]1CCN(C(=O)CN2CC[NH2+]CC2=O)[C@@H](C(N)=O)C1 ZINC000584839702 373652822 /nfs/dbraw/zinc/65/28/22/373652822.db2.gz FYEQMKZGFXEHAF-NXEZZACHSA-N 1 2 282.344 -1.469 20 0 CAADLO C[C@H]1CCN(C(=O)CN2CC[NH2+]CC2=O)[C@H](C(N)=O)C1 ZINC000584839703 373653555 /nfs/dbraw/zinc/65/35/55/373653555.db2.gz FYEQMKZGFXEHAF-UWVGGRQHSA-N 1 2 282.344 -1.469 20 0 CAADLO CNC(=O)NC[C@H]1COCC[N@@H+]1CCOCCO ZINC000640101430 373653776 /nfs/dbraw/zinc/65/37/76/373653776.db2.gz FGPAINMWBUDKEZ-JTQLQIEISA-N 1 2 261.322 -1.375 20 0 CAADLO CNC(=O)NC[C@H]1COCC[N@H+]1CCOCCO ZINC000640101430 373653785 /nfs/dbraw/zinc/65/37/85/373653785.db2.gz FGPAINMWBUDKEZ-JTQLQIEISA-N 1 2 261.322 -1.375 20 0 CAADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)NCc1nnn(C)n1 ZINC000584756717 373653924 /nfs/dbraw/zinc/65/39/24/373653924.db2.gz SBIYXNYNCKALFR-VIFPVBQESA-N 1 2 283.336 -1.270 20 0 CAADLO C[C@H]1CCN(C(=O)CN2CC[NH2+]CC2=O)[C@@H](C(N)=O)C1 ZINC000584839704 373654118 /nfs/dbraw/zinc/65/41/18/373654118.db2.gz FYEQMKZGFXEHAF-VHSXEESVSA-N 1 2 282.344 -1.469 20 0 CAADLO CC(=O)NCCNC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000623341244 373607073 /nfs/dbraw/zinc/60/70/73/373607073.db2.gz SRIBQZATVJNWPD-SNVBAGLBSA-N 1 2 258.322 -1.248 20 0 CAADLO CC(=O)NCCNC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000623341244 373607078 /nfs/dbraw/zinc/60/70/78/373607078.db2.gz SRIBQZATVJNWPD-SNVBAGLBSA-N 1 2 258.322 -1.248 20 0 CAADLO CC(=O)NCCNC(=O)NC[C@H]1COCC[N@H+]1C ZINC000623341243 373607301 /nfs/dbraw/zinc/60/73/01/373607301.db2.gz SRIBQZATVJNWPD-JTQLQIEISA-N 1 2 258.322 -1.248 20 0 CAADLO CC(=O)NCCNC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000623341243 373607308 /nfs/dbraw/zinc/60/73/08/373607308.db2.gz SRIBQZATVJNWPD-JTQLQIEISA-N 1 2 258.322 -1.248 20 0 CAADLO CNC(=O)NC[C@H]1COCC[N@@H+]1C[C@@H](O)Cn1cccn1 ZINC000640118281 373656353 /nfs/dbraw/zinc/65/63/53/373656353.db2.gz BGDMDNPBXMOUAO-NWDGAFQWSA-N 1 2 297.359 -1.126 20 0 CAADLO CCOC(=O)[C@@](C)(O)C[N@H+](C)Cc1nnnn1C ZINC000354849621 373608271 /nfs/dbraw/zinc/60/82/71/373608271.db2.gz LVLVCPLWCZZXEU-JTQLQIEISA-N 1 2 257.294 -1.044 20 0 CAADLO CCOC(=O)[C@@](C)(O)C[N@@H+](C)Cc1nnnn1C ZINC000354849621 373608277 /nfs/dbraw/zinc/60/82/77/373608277.db2.gz LVLVCPLWCZZXEU-JTQLQIEISA-N 1 2 257.294 -1.044 20 0 CAADLO CN(C)C(=O)C1(C(=O)NCCC[N@@H+]2CCNC(=O)C2)CC1 ZINC000355107698 373608726 /nfs/dbraw/zinc/60/87/26/373608726.db2.gz ZVMVGWQXVLYXIC-UHFFFAOYSA-N 1 2 296.371 -1.207 20 0 CAADLO CN(C)C(=O)C1(C(=O)NCCC[N@H+]2CCNC(=O)C2)CC1 ZINC000355107698 373608737 /nfs/dbraw/zinc/60/87/37/373608737.db2.gz ZVMVGWQXVLYXIC-UHFFFAOYSA-N 1 2 296.371 -1.207 20 0 CAADLO COC(=O)[C@@H]1CC[C@H](C(=O)NC[C@H]2C[NH+]3CCN2CC3)O1 ZINC000355145800 373609267 /nfs/dbraw/zinc/60/92/67/373609267.db2.gz RUGUEDXNCMHVBQ-TUAOUCFPSA-N 1 2 297.355 -1.177 20 0 CAADLO CN(C)C(=O)C1(C(=O)NC[C@H]2C[NH+]3CCN2CC3)CC1 ZINC000355158690 373609892 /nfs/dbraw/zinc/60/98/92/373609892.db2.gz AZRFXNQENNIOQI-NSHDSACASA-N 1 2 280.372 -1.029 20 0 CAADLO CNC(=O)NC[C@H]1COCC[N@H+]1C[C@@H](O)Cn1cccn1 ZINC000640118281 373656361 /nfs/dbraw/zinc/65/63/61/373656361.db2.gz BGDMDNPBXMOUAO-NWDGAFQWSA-N 1 2 297.359 -1.126 20 0 CAADLO CCNC(=O)CNC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000623360292 373611247 /nfs/dbraw/zinc/61/12/47/373611247.db2.gz BVGKQTLEEXZZRS-VIFPVBQESA-N 1 2 258.322 -1.248 20 0 CAADLO CCNC(=O)CNC(=O)NC[C@H]1COCC[N@H+]1C ZINC000623360292 373611257 /nfs/dbraw/zinc/61/12/57/373611257.db2.gz BVGKQTLEEXZZRS-VIFPVBQESA-N 1 2 258.322 -1.248 20 0 CAADLO CCNC(=O)CNC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000623360291 373612391 /nfs/dbraw/zinc/61/23/91/373612391.db2.gz BVGKQTLEEXZZRS-SECBINFHSA-N 1 2 258.322 -1.248 20 0 CAADLO CCNC(=O)CNC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000623360291 373612395 /nfs/dbraw/zinc/61/23/95/373612395.db2.gz BVGKQTLEEXZZRS-SECBINFHSA-N 1 2 258.322 -1.248 20 0 CAADLO CO[C@H]1CN(C[C@H](O)C[NH+]2CCOCC2)CCO1 ZINC000639833920 373613448 /nfs/dbraw/zinc/61/34/48/373613448.db2.gz KDJYNLCTGIYVBB-VXGBXAGGSA-N 1 2 260.334 -1.016 20 0 CAADLO CO[C@H]1C[N@H+](C[C@H](O)CN2CCOCC2)CCO1 ZINC000639833920 373613457 /nfs/dbraw/zinc/61/34/57/373613457.db2.gz KDJYNLCTGIYVBB-VXGBXAGGSA-N 1 2 260.334 -1.016 20 0 CAADLO CO[C@H]1C[N@@H+](C[C@H](O)CN2CCOCC2)CCO1 ZINC000639833920 373613464 /nfs/dbraw/zinc/61/34/64/373613464.db2.gz KDJYNLCTGIYVBB-VXGBXAGGSA-N 1 2 260.334 -1.016 20 0 CAADLO CN(C)C(=O)CNC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000623369520 373618247 /nfs/dbraw/zinc/61/82/47/373618247.db2.gz GHQONAQOKLWOQE-SECBINFHSA-N 1 2 258.322 -1.296 20 0 CAADLO CN(C)C(=O)CNC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000623369520 373618253 /nfs/dbraw/zinc/61/82/53/373618253.db2.gz GHQONAQOKLWOQE-SECBINFHSA-N 1 2 258.322 -1.296 20 0 CAADLO C[C@H](CNC(=O)N1C[C@@H](O)C[C@@H]1CO)[NH+]1CCOCC1 ZINC000361349591 373620449 /nfs/dbraw/zinc/62/04/49/373620449.db2.gz WSRCAYMJADHPTB-UTUOFQBUSA-N 1 2 287.360 -1.156 20 0 CAADLO Cn1cc(CCC(=O)NC[C@@H]2C[NH+]3CCN2CC3)nn1 ZINC000612747013 373709427 /nfs/dbraw/zinc/70/94/27/373709427.db2.gz IIVPEZQYGWQHMD-GFCCVEGCSA-N 1 2 278.360 -1.136 20 0 CAADLO COC[C@@H](OC)C(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000612748567 373709463 /nfs/dbraw/zinc/70/94/63/373709463.db2.gz YLGGUWDINUTDEF-WDEREUQCSA-N 1 2 257.334 -1.236 20 0 CAADLO O=C(NC[C@H]1C[NH+]2CCN1CC2)c1ccn2nnnc2c1 ZINC000612748180 373709826 /nfs/dbraw/zinc/70/98/26/373709826.db2.gz RRTDVRFGSKJXDW-NSHDSACASA-N 1 2 287.327 -1.146 20 0 CAADLO O=C(NC[C@@H]1C[NH+]2CCN1CC2)C1(n2cnnn2)CC1 ZINC000612748289 373710079 /nfs/dbraw/zinc/71/00/79/373710079.db2.gz TUHLGJJFLPCYFJ-SNVBAGLBSA-N 1 2 277.332 -1.722 20 0 CAADLO O=C(NC[C@H]1C[NH+]2CCN1CC2)C1(n2cnnn2)CC1 ZINC000612748284 373710110 /nfs/dbraw/zinc/71/01/10/373710110.db2.gz TUHLGJJFLPCYFJ-JTQLQIEISA-N 1 2 277.332 -1.722 20 0 CAADLO CN(CC(=O)NC[C@H]1C[NH+]2CCN1CC2)S(C)(=O)=O ZINC000090698836 373711088 /nfs/dbraw/zinc/71/10/88/373711088.db2.gz GZKLESTVAIDZOT-JTQLQIEISA-N 1 2 290.389 -2.006 20 0 CAADLO C[C@H]1C[N@H+](CCNC(=O)CCNC(N)=O)CCO1 ZINC000537171314 373714261 /nfs/dbraw/zinc/71/42/61/373714261.db2.gz ZSGPFNZIXAZXTE-VIFPVBQESA-N 1 2 258.322 -1.118 20 0 CAADLO C[C@H]1C[N@@H+](CCNC(=O)CCNC(N)=O)CCO1 ZINC000537171314 373714270 /nfs/dbraw/zinc/71/42/70/373714270.db2.gz ZSGPFNZIXAZXTE-VIFPVBQESA-N 1 2 258.322 -1.118 20 0 CAADLO C[N@@H+]1CCOC[C@H]1CNC(=O)[C@H]1CCCNC1=O ZINC000633686120 373715024 /nfs/dbraw/zinc/71/50/24/373715024.db2.gz YZVMULOUEDJGBI-ZJUUUORDSA-N 1 2 255.318 -1.041 20 0 CAADLO C[N@H+]1CCOC[C@H]1CNC(=O)[C@H]1CCCNC1=O ZINC000633686120 373715026 /nfs/dbraw/zinc/71/50/26/373715026.db2.gz YZVMULOUEDJGBI-ZJUUUORDSA-N 1 2 255.318 -1.041 20 0 CAADLO CNC(=O)NC(=O)C[N@@H+]1CCCN(S(C)(=O)=O)CC1 ZINC000043067150 373666134 /nfs/dbraw/zinc/66/61/34/373666134.db2.gz QAOIUOMYJCBSPA-UHFFFAOYSA-N 1 2 292.361 -1.591 20 0 CAADLO CNC(=O)NC(=O)C[N@H+]1CCCN(S(C)(=O)=O)CC1 ZINC000043067150 373666149 /nfs/dbraw/zinc/66/61/49/373666149.db2.gz QAOIUOMYJCBSPA-UHFFFAOYSA-N 1 2 292.361 -1.591 20 0 CAADLO CC(=O)N1CCN(C(=O)C[N@H+]2C[C@@H](C)O[C@H](CO)C2)CC1 ZINC000299955480 373668874 /nfs/dbraw/zinc/66/88/74/373668874.db2.gz CJFUFNCPBSIPBW-YPMHNXCESA-N 1 2 299.371 -1.241 20 0 CAADLO CC(=O)N1CCN(C(=O)C[N@@H+]2C[C@@H](C)O[C@H](CO)C2)CC1 ZINC000299955480 373668878 /nfs/dbraw/zinc/66/88/78/373668878.db2.gz CJFUFNCPBSIPBW-YPMHNXCESA-N 1 2 299.371 -1.241 20 0 CAADLO CC(C)[NH+](CC(=O)NC(N)=O)CC(=O)NC(N)=O ZINC000047549146 373669024 /nfs/dbraw/zinc/66/90/24/373669024.db2.gz DKSVIHIQPFIRPZ-UHFFFAOYSA-N 1 2 259.266 -1.913 20 0 CAADLO CCOC(=O)C[C@@H](O)C[NH+]1CCN(C(=O)[C@@H](C)O)CC1 ZINC000611237848 373675661 /nfs/dbraw/zinc/67/56/61/373675661.db2.gz VNDDAQSCSNICJT-GHMZBOCLSA-N 1 2 288.344 -1.175 20 0 CAADLO O=C(NC[C@H]1CCCC[N@H+]1CCO)C1CS(=O)(=O)C1 ZINC000633255809 373676201 /nfs/dbraw/zinc/67/62/01/373676201.db2.gz DEYNIROAYWRUHS-LLVKDONJSA-N 1 2 290.385 -1.006 20 0 CAADLO O=C(NC[C@H]1CCCC[N@@H+]1CCO)C1CS(=O)(=O)C1 ZINC000633255809 373676204 /nfs/dbraw/zinc/67/62/04/373676204.db2.gz DEYNIROAYWRUHS-LLVKDONJSA-N 1 2 290.385 -1.006 20 0 CAADLO CCOC(=O)C[C@@H](O)C[NH+]1CCN(C(=O)[C@H](C)O)CC1 ZINC000611237858 373676591 /nfs/dbraw/zinc/67/65/91/373676591.db2.gz VNDDAQSCSNICJT-WDEREUQCSA-N 1 2 288.344 -1.175 20 0 CAADLO Cc1[nH]c(=O)[nH]c(=O)c1NC(=O)CN1CC[NH2+]CC1=O ZINC000571803225 373678080 /nfs/dbraw/zinc/67/80/80/373678080.db2.gz WRIXEDNGDSGJRR-UHFFFAOYSA-N 1 2 281.272 -1.433 20 0 CAADLO C[C@@H]1CO[C@H](CO)CN1C[C@@H](O)C[NH+]1CCOCC1 ZINC000336804885 373681663 /nfs/dbraw/zinc/68/16/63/373681663.db2.gz NFJWCODUWNOSMX-AGIUHOORSA-N 1 2 274.361 -1.239 20 0 CAADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C1(CO)COC1 ZINC000537287420 373718473 /nfs/dbraw/zinc/71/84/73/373718473.db2.gz WNZBYOVVQYKRLD-LLVKDONJSA-N 1 2 288.344 -1.853 20 0 CAADLO CC(C)(C(N)=O)[NH+]1CCN(C(=O)[C@H]2CC(=O)N2)CC1 ZINC000611637116 373683059 /nfs/dbraw/zinc/68/30/59/373683059.db2.gz HABOEGKZWZDSHU-MRVPVSSYSA-N 1 2 268.317 -1.717 20 0 CAADLO COC[C@@H](OC)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000612061641 373695328 /nfs/dbraw/zinc/69/53/28/373695328.db2.gz HQANXFJXOVNMBN-NWDGAFQWSA-N 1 2 290.360 -1.201 20 0 CAADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)[C@H](O)C1CC1 ZINC000612063773 373695389 /nfs/dbraw/zinc/69/53/89/373695389.db2.gz YVVOZNKHKPCEEW-VXGBXAGGSA-N 1 2 272.345 -1.091 20 0 CAADLO COC[C@H](OC)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000612061633 373695820 /nfs/dbraw/zinc/69/58/20/373695820.db2.gz HQANXFJXOVNMBN-NEPJUHHUSA-N 1 2 290.360 -1.201 20 0 CAADLO COC[C@@H](OC)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000612061643 373696057 /nfs/dbraw/zinc/69/60/57/373696057.db2.gz HQANXFJXOVNMBN-VXGBXAGGSA-N 1 2 290.360 -1.201 20 0 CAADLO O=C([C@H]1CC(=O)N1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000612307276 373700499 /nfs/dbraw/zinc/70/04/99/373700499.db2.gz GXPHSLPPSZYJLS-NXEZZACHSA-N 1 2 253.302 -1.192 20 0 CAADLO O=C([C@@H]1CC(=O)NC(=O)N1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000612307235 373700645 /nfs/dbraw/zinc/70/06/45/373700645.db2.gz GAUCAJJBUPSPFU-ZJUUUORDSA-N 1 2 296.327 -1.482 20 0 CAADLO CN1C[C@@H](C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)NC1=O ZINC000612308751 373700847 /nfs/dbraw/zinc/70/08/47/373700847.db2.gz OHWLRFKRHKRZJE-MNOVXSKESA-N 1 2 282.344 -1.057 20 0 CAADLO CN1C[C@H](C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)NC1=O ZINC000612308746 373701156 /nfs/dbraw/zinc/70/11/56/373701156.db2.gz OHWLRFKRHKRZJE-GHMZBOCLSA-N 1 2 282.344 -1.057 20 0 CAADLO O=C([C@@H]1CC(=O)N1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000612307372 373701630 /nfs/dbraw/zinc/70/16/30/373701630.db2.gz GXPHSLPPSZYJLS-ZJUUUORDSA-N 1 2 253.302 -1.192 20 0 CAADLO C[C@H](C[NH+]1CCOCC1)NC(=O)NCCS(N)(=O)=O ZINC000612601025 373705480 /nfs/dbraw/zinc/70/54/80/373705480.db2.gz FJYCLQRZJURKBZ-SECBINFHSA-N 1 2 294.377 -1.705 20 0 CAADLO O=C([C@H]1CCNC1=O)N(CCO)CC[NH+]1CCOCC1 ZINC000612673268 373706962 /nfs/dbraw/zinc/70/69/62/373706962.db2.gz MNDNZXBEYPGDJZ-NSHDSACASA-N 1 2 285.344 -1.724 20 0 CAADLO C[C@@H](NC(=O)c1nc2n(n1)CCCN2)[C@@H]1C[N@H+](C)CCO1 ZINC000612670547 373707818 /nfs/dbraw/zinc/70/78/18/373707818.db2.gz MKMPQYXOORICLT-ZJUUUORDSA-N 1 2 294.359 -1.200 20 0 CAADLO C[C@@H](NC(=O)c1nc2n(n1)CCCN2)[C@@H]1C[N@@H+](C)CCO1 ZINC000612670547 373707825 /nfs/dbraw/zinc/70/78/25/373707825.db2.gz MKMPQYXOORICLT-ZJUUUORDSA-N 1 2 294.359 -1.200 20 0 CAADLO O=C([C@@H]1CC(=O)N1)N(CCO)CC[NH+]1CCOCC1 ZINC000612673753 373708106 /nfs/dbraw/zinc/70/81/06/373708106.db2.gz SNMFPTKZJBJMLQ-JTQLQIEISA-N 1 2 271.317 -1.972 20 0 CAADLO COC(=O)[C@@H]1[C@@H](O)CCC[N@@H+]1CCCS(N)(=O)=O ZINC000444728710 373771067 /nfs/dbraw/zinc/77/10/67/373771067.db2.gz FLZRWHYLIXOUIO-IUCAKERBSA-N 1 2 280.346 -1.337 20 0 CAADLO COC(=O)[C@@H]1[C@@H](O)CCC[N@H+]1CCCS(N)(=O)=O ZINC000444728710 373771072 /nfs/dbraw/zinc/77/10/72/373771072.db2.gz FLZRWHYLIXOUIO-IUCAKERBSA-N 1 2 280.346 -1.337 20 0 CAADLO COC(=O)[C@@H]1[C@H](O)CCC[N@@H+]1CCC(=O)NC(N)=O ZINC000444732798 373772314 /nfs/dbraw/zinc/77/23/14/373772314.db2.gz KKXZBWOUIJQKBT-APPZFPTMSA-N 1 2 273.289 -1.430 20 0 CAADLO COC(=O)[C@@H]1[C@H](O)CCC[N@H+]1CCC(=O)NC(N)=O ZINC000444732798 373772321 /nfs/dbraw/zinc/77/23/21/373772321.db2.gz KKXZBWOUIJQKBT-APPZFPTMSA-N 1 2 273.289 -1.430 20 0 CAADLO O=C(C[N@H+]1C[C@H]2C[C@@]2(O)C1)NCC(=O)N1CCCC1 ZINC000640479594 373773477 /nfs/dbraw/zinc/77/34/77/373773477.db2.gz YWUSZKLDYOEPRE-ZWNOBZJWSA-N 1 2 267.329 -1.208 20 0 CAADLO O=C(C[N@@H+]1C[C@H]2C[C@@]2(O)C1)NCC(=O)N1CCCC1 ZINC000640479594 373773483 /nfs/dbraw/zinc/77/34/83/373773483.db2.gz YWUSZKLDYOEPRE-ZWNOBZJWSA-N 1 2 267.329 -1.208 20 0 CAADLO Cn1c2[nH]c(C[N@@H+]3C[C@@H]4C[C@]4(O)C3)nc2c(=O)n(C)c1=O ZINC000640482405 373774088 /nfs/dbraw/zinc/77/40/88/373774088.db2.gz RJCXMHHHGRREHI-CPFSXVBKSA-N 1 2 291.311 -1.473 20 0 CAADLO Cn1c2[nH]c(C[N@H+]3C[C@@H]4C[C@]4(O)C3)nc2c(=O)n(C)c1=O ZINC000640482405 373774096 /nfs/dbraw/zinc/77/40/96/373774096.db2.gz RJCXMHHHGRREHI-CPFSXVBKSA-N 1 2 291.311 -1.473 20 0 CAADLO O=C1NC[C@H]2C[N@H+](Cc3ccc(CO)o3)CCN2C1=O ZINC000537691418 373721039 /nfs/dbraw/zinc/72/10/39/373721039.db2.gz WNLXSGYRJUDMBR-VIFPVBQESA-N 1 2 279.296 -1.086 20 0 CAADLO O=C1NC[C@H]2C[N@@H+](Cc3ccc(CO)o3)CCN2C1=O ZINC000537691418 373721047 /nfs/dbraw/zinc/72/10/47/373721047.db2.gz WNLXSGYRJUDMBR-VIFPVBQESA-N 1 2 279.296 -1.086 20 0 CAADLO CNC(=O)[C@@H]1CCC[N@@H+]1CC(=O)N1CCNC1=O ZINC000097267800 373721414 /nfs/dbraw/zinc/72/14/14/373721414.db2.gz FUWUOEZBZKOOBW-QMMMGPOBSA-N 1 2 254.290 -1.251 20 0 CAADLO CNC(=O)[C@@H]1CCC[N@H+]1CC(=O)N1CCNC1=O ZINC000097267800 373721423 /nfs/dbraw/zinc/72/14/23/373721423.db2.gz FUWUOEZBZKOOBW-QMMMGPOBSA-N 1 2 254.290 -1.251 20 0 CAADLO CN1CCC[C@@H]([N@@H+]2CCN3C(=O)C(=O)NC[C@H]3C2)C1=O ZINC000537606735 373721856 /nfs/dbraw/zinc/72/18/56/373721856.db2.gz PQYZCDYZMPOZJW-VHSXEESVSA-N 1 2 280.328 -1.750 20 0 CAADLO CN1CCC[C@@H]([N@H+]2CCN3C(=O)C(=O)NC[C@H]3C2)C1=O ZINC000537606735 373721864 /nfs/dbraw/zinc/72/18/64/373721864.db2.gz PQYZCDYZMPOZJW-VHSXEESVSA-N 1 2 280.328 -1.750 20 0 CAADLO C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)CC(N)=O ZINC000628576053 373735629 /nfs/dbraw/zinc/73/56/29/373735629.db2.gz FPHGHADNIGCSRW-ZDUSSCGKSA-N 1 2 285.344 -1.406 20 0 CAADLO C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)CC(N)=O ZINC000628576053 373735634 /nfs/dbraw/zinc/73/56/34/373735634.db2.gz FPHGHADNIGCSRW-ZDUSSCGKSA-N 1 2 285.344 -1.406 20 0 CAADLO C[C@H](C(=O)N1C[C@H](O)C[C@H]1C(N)=O)[NH+]1CCSCC1 ZINC000628601685 373736476 /nfs/dbraw/zinc/73/64/76/373736476.db2.gz OKBJJBPLDYPNRX-BBBLOLIVSA-N 1 2 287.385 -1.129 20 0 CAADLO CS(=O)(=O)NC1CN(C(=O)Cn2cc[nH+]c2)C1 ZINC000628796578 373744008 /nfs/dbraw/zinc/74/40/08/373744008.db2.gz KHLJLAQOEQTLJP-UHFFFAOYSA-N 1 2 258.303 -1.357 20 0 CAADLO CC[N@@H+]1CCOC[C@@H]1C(=O)N1CC(NS(C)(=O)=O)C1 ZINC000628798393 373745137 /nfs/dbraw/zinc/74/51/37/373745137.db2.gz MMKXHGIWWAWEAQ-SNVBAGLBSA-N 1 2 291.373 -1.533 20 0 CAADLO CC[N@H+]1CCOC[C@@H]1C(=O)N1CC(NS(C)(=O)=O)C1 ZINC000628798393 373745143 /nfs/dbraw/zinc/74/51/43/373745143.db2.gz MMKXHGIWWAWEAQ-SNVBAGLBSA-N 1 2 291.373 -1.533 20 0 CAADLO CCS(=O)(=O)N[C@H](C)C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000628912058 373749839 /nfs/dbraw/zinc/74/98/39/373749839.db2.gz AOQQBPWBQSXMJB-NXEZZACHSA-N 1 2 293.389 -1.239 20 0 CAADLO CCS(=O)(=O)N[C@H](C)C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000628912058 373749843 /nfs/dbraw/zinc/74/98/43/373749843.db2.gz AOQQBPWBQSXMJB-NXEZZACHSA-N 1 2 293.389 -1.239 20 0 CAADLO CN1C[C@@H](C(=O)NC[C@H]2COCC[N@@H+]2C)NC1=O ZINC000628914107 373750274 /nfs/dbraw/zinc/75/02/74/373750274.db2.gz XUUHRSHRZNRARC-IUCAKERBSA-N 1 2 256.306 -1.543 20 0 CAADLO CN1C[C@@H](C(=O)NC[C@H]2COCC[N@H+]2C)NC1=O ZINC000628914107 373750280 /nfs/dbraw/zinc/75/02/80/373750280.db2.gz XUUHRSHRZNRARC-IUCAKERBSA-N 1 2 256.306 -1.543 20 0 CAADLO CN1C[C@@H](C(=O)NC[C@@H]2COCC[N@@H+]2C)NC1=O ZINC000628914098 373751109 /nfs/dbraw/zinc/75/11/09/373751109.db2.gz XUUHRSHRZNRARC-BDAKNGLRSA-N 1 2 256.306 -1.543 20 0 CAADLO CN1C[C@@H](C(=O)NC[C@@H]2COCC[N@H+]2C)NC1=O ZINC000628914098 373751114 /nfs/dbraw/zinc/75/11/14/373751114.db2.gz XUUHRSHRZNRARC-BDAKNGLRSA-N 1 2 256.306 -1.543 20 0 CAADLO CN1C(=O)C(=O)N(CC(=O)NC[C@@H]2COCC[N@@H+]2C)C1=O ZINC000628916830 373751361 /nfs/dbraw/zinc/75/13/61/373751361.db2.gz KUNUSIPBTMAHNQ-MRVPVSSYSA-N 1 2 298.299 -2.146 20 0 CAADLO CN1C(=O)C(=O)N(CC(=O)NC[C@@H]2COCC[N@H+]2C)C1=O ZINC000628916830 373751365 /nfs/dbraw/zinc/75/13/65/373751365.db2.gz KUNUSIPBTMAHNQ-MRVPVSSYSA-N 1 2 298.299 -2.146 20 0 CAADLO CN1CC[C@@H](C(=O)NC[C@H]2COCC[N@@H+]2C)C1=O ZINC000628914664 373751399 /nfs/dbraw/zinc/75/13/99/373751399.db2.gz LDHUKFIWSDQKJD-UWVGGRQHSA-N 1 2 255.318 -1.089 20 0 CAADLO CN1CC[C@@H](C(=O)NC[C@H]2COCC[N@H+]2C)C1=O ZINC000628914664 373751402 /nfs/dbraw/zinc/75/14/02/373751402.db2.gz LDHUKFIWSDQKJD-UWVGGRQHSA-N 1 2 255.318 -1.089 20 0 CAADLO CNC(=O)NCCC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000628915123 373751427 /nfs/dbraw/zinc/75/14/27/373751427.db2.gz URLYPSQPXYDIQA-VIFPVBQESA-N 1 2 258.322 -1.248 20 0 CAADLO CNC(=O)NCCC(=O)NC[C@H]1COCC[N@H+]1C ZINC000628915123 373751429 /nfs/dbraw/zinc/75/14/29/373751429.db2.gz URLYPSQPXYDIQA-VIFPVBQESA-N 1 2 258.322 -1.248 20 0 CAADLO CCS(=O)(=O)N[C@H](C)C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000628912069 373751498 /nfs/dbraw/zinc/75/14/98/373751498.db2.gz AOQQBPWBQSXMJB-ZJUUUORDSA-N 1 2 293.389 -1.239 20 0 CAADLO CCS(=O)(=O)N[C@H](C)C(=O)NC[C@H]1COCC[N@H+]1C ZINC000628912069 373751500 /nfs/dbraw/zinc/75/15/00/373751500.db2.gz AOQQBPWBQSXMJB-ZJUUUORDSA-N 1 2 293.389 -1.239 20 0 CAADLO CC(=O)N1CC(OCC(=O)NC[C@@H]2COCC[N@H+]2C)C1 ZINC000628912887 373751623 /nfs/dbraw/zinc/75/16/23/373751623.db2.gz KQIWWVBNSIVQGX-LLVKDONJSA-N 1 2 285.344 -1.320 20 0 CAADLO CC(=O)N1CC(OCC(=O)NC[C@@H]2COCC[N@@H+]2C)C1 ZINC000628912887 373751626 /nfs/dbraw/zinc/75/16/26/373751626.db2.gz KQIWWVBNSIVQGX-LLVKDONJSA-N 1 2 285.344 -1.320 20 0 CAADLO CN(C)S(=O)(=O)CCC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000628917070 373751780 /nfs/dbraw/zinc/75/17/80/373751780.db2.gz JCFFZIBXJYKMRM-JTQLQIEISA-N 1 2 293.389 -1.285 20 0 CAADLO CN(C)S(=O)(=O)CCC(=O)NC[C@H]1COCC[N@H+]1C ZINC000628917070 373751784 /nfs/dbraw/zinc/75/17/84/373751784.db2.gz JCFFZIBXJYKMRM-JTQLQIEISA-N 1 2 293.389 -1.285 20 0 CAADLO C[C@@H](C(=O)NC[C@H]1COCC[N@@H+]1C)N1C(=O)CCC1=O ZINC000628920004 373752875 /nfs/dbraw/zinc/75/28/75/373752875.db2.gz ADZRSBGPZUXWTN-UWVGGRQHSA-N 1 2 283.328 -1.029 20 0 CAADLO C[C@@H](C(=O)NC[C@H]1COCC[N@H+]1C)N1C(=O)CCC1=O ZINC000628920004 373752877 /nfs/dbraw/zinc/75/28/77/373752877.db2.gz ADZRSBGPZUXWTN-UWVGGRQHSA-N 1 2 283.328 -1.029 20 0 CAADLO C[C@@H](NS(C)(=O)=O)C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000628919235 373753056 /nfs/dbraw/zinc/75/30/56/373753056.db2.gz SWILQIFQEXVMIG-RKDXNWHRSA-N 1 2 279.362 -1.629 20 0 CAADLO C[C@@H](NS(C)(=O)=O)C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000628919235 373753062 /nfs/dbraw/zinc/75/30/62/373753062.db2.gz SWILQIFQEXVMIG-RKDXNWHRSA-N 1 2 279.362 -1.629 20 0 CAADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)CN1CCCNC1=O ZINC000628924063 373753097 /nfs/dbraw/zinc/75/30/97/373753097.db2.gz YMEGFMPWZZUIKH-JTQLQIEISA-N 1 2 270.333 -1.152 20 0 CAADLO C[N@H+]1CCOC[C@@H]1CNC(=O)CN1CCCNC1=O ZINC000628924063 373753106 /nfs/dbraw/zinc/75/31/06/373753106.db2.gz YMEGFMPWZZUIKH-JTQLQIEISA-N 1 2 270.333 -1.152 20 0 CAADLO Cn1cc(C(=O)NC[C@@H]2COCC[N@@H+]2C)c(=O)[nH]c1=O ZINC000628922745 373753228 /nfs/dbraw/zinc/75/32/28/373753228.db2.gz OFTPUMMTCWPZJW-MRVPVSSYSA-N 1 2 282.300 -1.454 20 0 CAADLO Cn1cc(C(=O)NC[C@@H]2COCC[N@H+]2C)c(=O)[nH]c1=O ZINC000628922745 373753236 /nfs/dbraw/zinc/75/32/36/373753236.db2.gz OFTPUMMTCWPZJW-MRVPVSSYSA-N 1 2 282.300 -1.454 20 0 CAADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)CCNS(C)(=O)=O ZINC000628922862 373753370 /nfs/dbraw/zinc/75/33/70/373753370.db2.gz QAQVLJPEPCMYRE-VIFPVBQESA-N 1 2 279.362 -1.628 20 0 CAADLO C[N@H+]1CCOC[C@@H]1CNC(=O)CCNS(C)(=O)=O ZINC000628922862 373753375 /nfs/dbraw/zinc/75/33/75/373753375.db2.gz QAQVLJPEPCMYRE-VIFPVBQESA-N 1 2 279.362 -1.628 20 0 CAADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)CN1CCOCC1=O ZINC000628921071 373753437 /nfs/dbraw/zinc/75/34/37/373753437.db2.gz JNMLKMFVQNXVQC-JTQLQIEISA-N 1 2 271.317 -1.708 20 0 CAADLO C[N@H+]1CCOC[C@@H]1CNC(=O)CN1CCOCC1=O ZINC000628921071 373753442 /nfs/dbraw/zinc/75/34/42/373753442.db2.gz JNMLKMFVQNXVQC-JTQLQIEISA-N 1 2 271.317 -1.708 20 0 CAADLO C[C@@H](NS(C)(=O)=O)C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000628919226 373753533 /nfs/dbraw/zinc/75/35/33/373753533.db2.gz SWILQIFQEXVMIG-BDAKNGLRSA-N 1 2 279.362 -1.629 20 0 CAADLO C[C@@H](NS(C)(=O)=O)C(=O)NC[C@H]1COCC[N@H+]1C ZINC000628919226 373753540 /nfs/dbraw/zinc/75/35/40/373753540.db2.gz SWILQIFQEXVMIG-BDAKNGLRSA-N 1 2 279.362 -1.629 20 0 CAADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)CCCN1C(=O)CNC1=O ZINC000628927199 373753598 /nfs/dbraw/zinc/75/35/98/373753598.db2.gz XWOBDZDCZWWBOQ-JTQLQIEISA-N 1 2 298.343 -1.235 20 0 CAADLO C[N@H+]1CCOC[C@@H]1CNC(=O)CCCN1C(=O)CNC1=O ZINC000628927199 373753602 /nfs/dbraw/zinc/75/36/02/373753602.db2.gz XWOBDZDCZWWBOQ-JTQLQIEISA-N 1 2 298.343 -1.235 20 0 CAADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)CCN1C(=O)CCC1=O ZINC000628925345 373753633 /nfs/dbraw/zinc/75/36/33/373753633.db2.gz KAEKNPPUZXGLRV-JTQLQIEISA-N 1 2 283.328 -1.028 20 0 CAADLO C[N@H+]1CCOC[C@@H]1CNC(=O)CCN1C(=O)CCC1=O ZINC000628925345 373753638 /nfs/dbraw/zinc/75/36/38/373753638.db2.gz KAEKNPPUZXGLRV-JTQLQIEISA-N 1 2 283.328 -1.028 20 0 CAADLO C[C@@H](C(=O)NC[C@@H]1COCC[N@@H+]1C)N1C(=O)CCC1=O ZINC000628920005 373753771 /nfs/dbraw/zinc/75/37/71/373753771.db2.gz ADZRSBGPZUXWTN-VHSXEESVSA-N 1 2 283.328 -1.029 20 0 CAADLO C[C@@H](C(=O)NC[C@@H]1COCC[N@H+]1C)N1C(=O)CCC1=O ZINC000628920005 373753773 /nfs/dbraw/zinc/75/37/73/373753773.db2.gz ADZRSBGPZUXWTN-VHSXEESVSA-N 1 2 283.328 -1.029 20 0 CAADLO C[C@H](C(=O)NC[C@@H]1COCC[N@@H+]1C)N1C(=O)CCC1=O ZINC000628920003 373753923 /nfs/dbraw/zinc/75/39/23/373753923.db2.gz ADZRSBGPZUXWTN-NXEZZACHSA-N 1 2 283.328 -1.029 20 0 CAADLO C[C@H](C(=O)NC[C@@H]1COCC[N@H+]1C)N1C(=O)CCC1=O ZINC000628920003 373753929 /nfs/dbraw/zinc/75/39/29/373753929.db2.gz ADZRSBGPZUXWTN-NXEZZACHSA-N 1 2 283.328 -1.029 20 0 CAADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)CN1C(=O)NC(C)(C)C1=O ZINC000628926615 373754048 /nfs/dbraw/zinc/75/40/48/373754048.db2.gz VADTUJAUNCPOSF-VIFPVBQESA-N 1 2 298.343 -1.236 20 0 CAADLO C[N@H+]1CCOC[C@@H]1CNC(=O)CN1C(=O)NC(C)(C)C1=O ZINC000628926615 373754056 /nfs/dbraw/zinc/75/40/56/373754056.db2.gz VADTUJAUNCPOSF-VIFPVBQESA-N 1 2 298.343 -1.236 20 0 CAADLO C[N@@H+]1CCOC[C@H]1CNC(=O)CCN1C(=O)CCC1=O ZINC000628925360 373754195 /nfs/dbraw/zinc/75/41/95/373754195.db2.gz KAEKNPPUZXGLRV-SNVBAGLBSA-N 1 2 283.328 -1.028 20 0 CAADLO C[N@H+]1CCOC[C@H]1CNC(=O)CCN1C(=O)CCC1=O ZINC000628925360 373754203 /nfs/dbraw/zinc/75/42/03/373754203.db2.gz KAEKNPPUZXGLRV-SNVBAGLBSA-N 1 2 283.328 -1.028 20 0 CAADLO COCCN1C[C@H](C(=O)NC[C@H]2COCC[N@@H+]2C)CC1=O ZINC000628920697 373754296 /nfs/dbraw/zinc/75/42/96/373754296.db2.gz FECSLAWCMHWQIG-NEPJUHHUSA-N 1 2 299.371 -1.072 20 0 CAADLO COCCN1C[C@H](C(=O)NC[C@H]2COCC[N@H+]2C)CC1=O ZINC000628920697 373754305 /nfs/dbraw/zinc/75/43/05/373754305.db2.gz FECSLAWCMHWQIG-NEPJUHHUSA-N 1 2 299.371 -1.072 20 0 CAADLO CNS(=O)(=O)NCC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000628922648 373754467 /nfs/dbraw/zinc/75/44/67/373754467.db2.gz OEOQSZWBFNSTKG-MRVPVSSYSA-N 1 2 280.350 -2.513 20 0 CAADLO CNS(=O)(=O)NCC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000628922648 373754480 /nfs/dbraw/zinc/75/44/80/373754480.db2.gz OEOQSZWBFNSTKG-MRVPVSSYSA-N 1 2 280.350 -2.513 20 0 CAADLO C[N@@H+]1CCOC[C@H]1CNC(=O)CN1CCCNC1=O ZINC000628924066 373754506 /nfs/dbraw/zinc/75/45/06/373754506.db2.gz YMEGFMPWZZUIKH-SNVBAGLBSA-N 1 2 270.333 -1.152 20 0 CAADLO C[N@H+]1CCOC[C@H]1CNC(=O)CN1CCCNC1=O ZINC000628924066 373754515 /nfs/dbraw/zinc/75/45/15/373754515.db2.gz YMEGFMPWZZUIKH-SNVBAGLBSA-N 1 2 270.333 -1.152 20 0 CAADLO CNC(=O)C1(C(=O)NC[C@@H]2COCC[N@@H+]2C)CC1 ZINC000628921785 373754732 /nfs/dbraw/zinc/75/47/32/373754732.db2.gz LKFNVBQGRQIYML-SECBINFHSA-N 1 2 255.318 -1.041 20 0 CAADLO CNC(=O)C1(C(=O)NC[C@@H]2COCC[N@H+]2C)CC1 ZINC000628921785 373754740 /nfs/dbraw/zinc/75/47/40/373754740.db2.gz LKFNVBQGRQIYML-SECBINFHSA-N 1 2 255.318 -1.041 20 0 CAADLO C[N@@H+]1CCO[C@@H](CS(=O)(=O)NC/C=C/CO)C1 ZINC000632550264 373757063 /nfs/dbraw/zinc/75/70/63/373757063.db2.gz TWXOJJGYCMMGEF-VMZHVLLKSA-N 1 2 264.347 -1.215 20 0 CAADLO C[N@H+]1CCO[C@@H](CS(=O)(=O)NC/C=C/CO)C1 ZINC000632550264 373757070 /nfs/dbraw/zinc/75/70/70/373757070.db2.gz TWXOJJGYCMMGEF-VMZHVLLKSA-N 1 2 264.347 -1.215 20 0 CAADLO CCNC(=O)NC(=O)C[N@@H+]1CCC[C@]2(C1)NC(=O)NC2=O ZINC000434796004 373757084 /nfs/dbraw/zinc/75/70/84/373757084.db2.gz RZCBCAVFRCIHCC-GFCCVEGCSA-N 1 2 297.315 -1.494 20 0 CAADLO CCNC(=O)NC(=O)C[N@H+]1CCC[C@]2(C1)NC(=O)NC2=O ZINC000434796004 373757090 /nfs/dbraw/zinc/75/70/90/373757090.db2.gz RZCBCAVFRCIHCC-GFCCVEGCSA-N 1 2 297.315 -1.494 20 0 CAADLO CCCS(=O)(=O)CC(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000629176568 373759712 /nfs/dbraw/zinc/75/97/12/373759712.db2.gz YUWNAAGJTAQFDR-SNVBAGLBSA-N 1 2 278.374 -1.006 20 0 CAADLO CCCS(=O)(=O)CC(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC000629176568 373759722 /nfs/dbraw/zinc/75/97/22/373759722.db2.gz YUWNAAGJTAQFDR-SNVBAGLBSA-N 1 2 278.374 -1.006 20 0 CAADLO COCCOCCS(=O)(=O)N1CC[N@H+](C)C[C@H]1CO ZINC000632578079 373764232 /nfs/dbraw/zinc/76/42/32/373764232.db2.gz MWZOLBISEYTRAQ-NSHDSACASA-N 1 2 296.389 -1.413 20 0 CAADLO COCCOCCS(=O)(=O)N1CC[N@@H+](C)C[C@H]1CO ZINC000632578079 373764236 /nfs/dbraw/zinc/76/42/36/373764236.db2.gz MWZOLBISEYTRAQ-NSHDSACASA-N 1 2 296.389 -1.413 20 0 CAADLO C[N@@H+]1CCN(S(=O)(=O)N2CCCOCC2)[C@H](CO)C1 ZINC000632576539 373764286 /nfs/dbraw/zinc/76/42/86/373764286.db2.gz TVNIVRSWEWPKFP-NSHDSACASA-N 1 2 293.389 -1.438 20 0 CAADLO C[N@H+]1CCN(S(=O)(=O)N2CCCOCC2)[C@H](CO)C1 ZINC000632576539 373764294 /nfs/dbraw/zinc/76/42/94/373764294.db2.gz TVNIVRSWEWPKFP-NSHDSACASA-N 1 2 293.389 -1.438 20 0 CAADLO CCOCCS(=O)(=O)N1CC[N@H+](C)C[C@H]1CO ZINC000632578371 373765095 /nfs/dbraw/zinc/76/50/95/373765095.db2.gz UFTGQYHMCQMKPY-JTQLQIEISA-N 1 2 266.363 -1.039 20 0 CAADLO CCOCCS(=O)(=O)N1CC[N@@H+](C)C[C@H]1CO ZINC000632578371 373765101 /nfs/dbraw/zinc/76/51/01/373765101.db2.gz UFTGQYHMCQMKPY-JTQLQIEISA-N 1 2 266.363 -1.039 20 0 CAADLO CC[N@@H+]1CCOC[C@H]1C(=O)NCCCS(=O)(=O)NC ZINC000629341582 373765233 /nfs/dbraw/zinc/76/52/33/373765233.db2.gz YDOUVRRGBSAIDH-JTQLQIEISA-N 1 2 293.389 -1.237 20 0 CAADLO CC[N@H+]1CCOC[C@H]1C(=O)NCCCS(=O)(=O)NC ZINC000629341582 373765236 /nfs/dbraw/zinc/76/52/36/373765236.db2.gz YDOUVRRGBSAIDH-JTQLQIEISA-N 1 2 293.389 -1.237 20 0 CAADLO CC[N@@H+]1CCOC[C@@H]1C(=O)NCCCS(=O)(=O)NC ZINC000629341589 373765319 /nfs/dbraw/zinc/76/53/19/373765319.db2.gz YDOUVRRGBSAIDH-SNVBAGLBSA-N 1 2 293.389 -1.237 20 0 CAADLO CC[N@H+]1CCOC[C@@H]1C(=O)NCCCS(=O)(=O)NC ZINC000629341589 373765325 /nfs/dbraw/zinc/76/53/25/373765325.db2.gz YDOUVRRGBSAIDH-SNVBAGLBSA-N 1 2 293.389 -1.237 20 0 CAADLO C[N@@H+]1CCN(S(=O)(=O)C[C@H]2CCOC2)[C@H](CO)C1 ZINC000632577644 373765656 /nfs/dbraw/zinc/76/56/56/373765656.db2.gz FCZRXRONVNBTPM-QWRGUYRKSA-N 1 2 278.374 -1.039 20 0 CAADLO C[N@H+]1CCN(S(=O)(=O)C[C@H]2CCOC2)[C@H](CO)C1 ZINC000632577644 373765661 /nfs/dbraw/zinc/76/56/61/373765661.db2.gz FCZRXRONVNBTPM-QWRGUYRKSA-N 1 2 278.374 -1.039 20 0 CAADLO CC[N@@H+]1CCOC[C@H]1C(=O)N1CCO[C@@H](CC(N)=O)C1 ZINC000629393524 373766690 /nfs/dbraw/zinc/76/66/90/373766690.db2.gz BLYBMAJIJASEOS-QWRGUYRKSA-N 1 2 285.344 -1.190 20 0 CAADLO CC[N@H+]1CCOC[C@H]1C(=O)N1CCO[C@@H](CC(N)=O)C1 ZINC000629393524 373766698 /nfs/dbraw/zinc/76/66/98/373766698.db2.gz BLYBMAJIJASEOS-QWRGUYRKSA-N 1 2 285.344 -1.190 20 0 CAADLO CN(C)S(=O)(=O)N1CC(NC(=O)Cn2cc[nH+]c2)C1 ZINC000629528129 373769481 /nfs/dbraw/zinc/76/94/81/373769481.db2.gz PRWDDLVEXVGNHW-UHFFFAOYSA-N 1 2 287.345 -1.510 20 0 CAADLO O=S(=O)(CCn1cc[nH+]c1)N1CCN(CCO)CC1 ZINC000641261390 373802541 /nfs/dbraw/zinc/80/25/41/373802541.db2.gz XKWGKWLEVVDCER-UHFFFAOYSA-N 1 2 288.373 -1.177 20 0 CAADLO COCC(COC)S(=O)(=O)N1CC[NH+](CCO)CC1 ZINC000641261004 373802814 /nfs/dbraw/zinc/80/28/14/373802814.db2.gz RUZNHNUEVRUTHG-UHFFFAOYSA-N 1 2 296.389 -1.413 20 0 CAADLO O=S(=O)(CCn1cc[nH+]c1)N(CCO)CCO ZINC000641405935 373803862 /nfs/dbraw/zinc/80/38/62/373803862.db2.gz KOXHONNPKDTGNC-UHFFFAOYSA-N 1 2 263.319 -1.501 20 0 CAADLO O=C1NC[C@H]2CN(S(=O)(=O)CCn3cc[nH+]c3)CCN12 ZINC000641371824 373804181 /nfs/dbraw/zinc/80/41/81/373804181.db2.gz NAVLIADXQLYIKW-JTQLQIEISA-N 1 2 299.356 -1.078 20 0 CAADLO O=C1NC[C@@H]2CN(c3cc(CO)cc[nH+]3)CCN2C1=O ZINC000641420706 373804466 /nfs/dbraw/zinc/80/44/66/373804466.db2.gz DOKBCSRBBFGEOT-SNVBAGLBSA-N 1 2 276.296 -1.279 20 0 CAADLO O=S(=O)(CCn1cc[nH+]c1)N1CCOC[C@H](O)C1 ZINC000641518180 373806278 /nfs/dbraw/zinc/80/62/78/373806278.db2.gz VHFFIWKIKOFRAB-SNVBAGLBSA-N 1 2 275.330 -1.094 20 0 CAADLO COC[C@@H](CO)NS(=O)(=O)CCn1cc[nH+]c1 ZINC000641468238 373806328 /nfs/dbraw/zinc/80/63/28/373806328.db2.gz BAFODIMKHBDADS-SECBINFHSA-N 1 2 263.319 -1.190 20 0 CAADLO O=S(=O)(CCn1cc[nH+]c1)N1CCOC[C@@H](O)C1 ZINC000641518179 373806368 /nfs/dbraw/zinc/80/63/68/373806368.db2.gz VHFFIWKIKOFRAB-JTQLQIEISA-N 1 2 275.330 -1.094 20 0 CAADLO COC[C@H](CO)NS(=O)(=O)CCn1cc[nH+]c1 ZINC000641468241 373806418 /nfs/dbraw/zinc/80/64/18/373806418.db2.gz BAFODIMKHBDADS-VIFPVBQESA-N 1 2 263.319 -1.190 20 0 CAADLO O=S(=O)(CCn1cc[nH+]c1)N[C@@H]1COC[C@H]1O ZINC000641525610 373807572 /nfs/dbraw/zinc/80/75/72/373807572.db2.gz NUWKKRIESOAJRG-RKDXNWHRSA-N 1 2 261.303 -1.438 20 0 CAADLO COCC1(O)CN(S(=O)(=O)CCn2cc[nH+]c2)C1 ZINC000641534278 373807649 /nfs/dbraw/zinc/80/76/49/373807649.db2.gz BYAZUUBUPPWYHE-UHFFFAOYSA-N 1 2 275.330 -1.094 20 0 CAADLO O=S(=O)(CCn1cc[nH+]c1)N[C@H]1COC[C@H]1O ZINC000641640336 373809845 /nfs/dbraw/zinc/80/98/45/373809845.db2.gz NUWKKRIESOAJRG-DTWKUNHWSA-N 1 2 261.303 -1.438 20 0 CAADLO COCC(COC)S(=O)(=O)N1CC[N@H+](C)C[C@@H]1CO ZINC000641621371 373810210 /nfs/dbraw/zinc/81/02/10/373810210.db2.gz PHWJYEDDXHQLLG-SNVBAGLBSA-N 1 2 296.389 -1.414 20 0 CAADLO COCC(COC)S(=O)(=O)N1CC[N@@H+](C)C[C@@H]1CO ZINC000641621371 373810221 /nfs/dbraw/zinc/81/02/21/373810221.db2.gz PHWJYEDDXHQLLG-SNVBAGLBSA-N 1 2 296.389 -1.414 20 0 CAADLO COC[C@H](CS(=O)(=O)N1CC[N@H+](C)C[C@H]1CO)OC ZINC000641621007 373810516 /nfs/dbraw/zinc/81/05/16/373810516.db2.gz KLXGRYSGUJXNGR-WDEREUQCSA-N 1 2 296.389 -1.414 20 0 CAADLO COC[C@H](CS(=O)(=O)N1CC[N@@H+](C)C[C@H]1CO)OC ZINC000641621007 373810523 /nfs/dbraw/zinc/81/05/23/373810523.db2.gz KLXGRYSGUJXNGR-WDEREUQCSA-N 1 2 296.389 -1.414 20 0 CAADLO CN1CCN(S(=O)(=O)CCn2cc[nH+]c2)[C@H](CO)C1 ZINC000641621410 373810900 /nfs/dbraw/zinc/81/09/00/373810900.db2.gz PZEHMFVIUIGNHZ-NSHDSACASA-N 1 2 288.373 -1.179 20 0 CAADLO CC[C@H](C(N)=O)[N@@H+]1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC000152662951 373815970 /nfs/dbraw/zinc/81/59/70/373815970.db2.gz JFPHOEDCZMEHAH-HTQZYQBOSA-N 1 2 254.290 -2.107 20 0 CAADLO CC[C@H](C(N)=O)[N@H+]1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC000152662951 373815979 /nfs/dbraw/zinc/81/59/79/373815979.db2.gz JFPHOEDCZMEHAH-HTQZYQBOSA-N 1 2 254.290 -2.107 20 0 CAADLO CC1(C)NC(=O)N(CC(=O)NCC[NH+]2CCOCC2)C1=O ZINC000641974191 373816083 /nfs/dbraw/zinc/81/60/83/373816083.db2.gz GRCCOYWMSUIBJY-UHFFFAOYSA-N 1 2 298.343 -1.235 20 0 CAADLO C[C@@H]1C(=O)NCCN1S(=O)(=O)C[C@@H]1C[N@H+](C)CCO1 ZINC000631900429 373816975 /nfs/dbraw/zinc/81/69/75/373816975.db2.gz SRTOBSFOWGRMMB-ZJUUUORDSA-N 1 2 291.373 -1.533 20 0 CAADLO C[C@@H]1C(=O)NCCN1S(=O)(=O)C[C@@H]1C[N@@H+](C)CCO1 ZINC000631900429 373816981 /nfs/dbraw/zinc/81/69/81/373816981.db2.gz SRTOBSFOWGRMMB-ZJUUUORDSA-N 1 2 291.373 -1.533 20 0 CAADLO CN1C(=O)C[C@@H]([N@@H+]2CCN3C(=O)OC[C@@H]3C2)C1=O ZINC000493538293 373818955 /nfs/dbraw/zinc/81/89/55/373818955.db2.gz IGIWFUABONPRGH-JGVFFNPUSA-N 1 2 253.258 -1.120 20 0 CAADLO CN1C(=O)C[C@@H]([N@H+]2CCN3C(=O)OC[C@@H]3C2)C1=O ZINC000493538293 373818964 /nfs/dbraw/zinc/81/89/64/373818964.db2.gz IGIWFUABONPRGH-JGVFFNPUSA-N 1 2 253.258 -1.120 20 0 CAADLO COC(=O)CC[N@@H+]1CCNC(=O)[C@H]1CC(=O)OC ZINC000053400703 373839497 /nfs/dbraw/zinc/83/94/97/373839497.db2.gz BRVWDZITGHCSJL-MRVPVSSYSA-N 1 2 258.274 -1.087 20 0 CAADLO COC(=O)CC[N@H+]1CCNC(=O)[C@H]1CC(=O)OC ZINC000053400703 373839503 /nfs/dbraw/zinc/83/95/03/373839503.db2.gz BRVWDZITGHCSJL-MRVPVSSYSA-N 1 2 258.274 -1.087 20 0 CAADLO O=C1C[C@@H]([N@@H+]2CCN3C(=O)OCC[C@@H]3C2)C(=O)N1 ZINC000496128994 373819403 /nfs/dbraw/zinc/81/94/03/373819403.db2.gz MEIOVQWHOYPSOG-HTQZYQBOSA-N 1 2 253.258 -1.072 20 0 CAADLO O=C1C[C@@H]([N@H+]2CCN3C(=O)OCC[C@@H]3C2)C(=O)N1 ZINC000496128994 373819406 /nfs/dbraw/zinc/81/94/06/373819406.db2.gz MEIOVQWHOYPSOG-HTQZYQBOSA-N 1 2 253.258 -1.072 20 0 CAADLO O=C1C[C@H]([N@@H+]2CCN3C(=O)OCC[C@@H]3C2)C(=O)N1 ZINC000496128997 373819452 /nfs/dbraw/zinc/81/94/52/373819452.db2.gz MEIOVQWHOYPSOG-SFYZADRCSA-N 1 2 253.258 -1.072 20 0 CAADLO O=C1C[C@H]([N@H+]2CCN3C(=O)OCC[C@@H]3C2)C(=O)N1 ZINC000496128997 373819456 /nfs/dbraw/zinc/81/94/56/373819456.db2.gz MEIOVQWHOYPSOG-SFYZADRCSA-N 1 2 253.258 -1.072 20 0 CAADLO C[C@H]([C@H](C)NC(=O)Cn1cn[nH]c1=O)[NH+]1CCOCC1 ZINC000152994539 373821568 /nfs/dbraw/zinc/82/15/68/373821568.db2.gz LMQRVARRCAFNDT-VHSXEESVSA-N 1 2 283.332 -1.203 20 0 CAADLO C[N@@H+]1CCOC[C@H]1CNC(=O)NCCN1C(=O)CNC1=O ZINC000623609501 373827946 /nfs/dbraw/zinc/82/79/46/373827946.db2.gz DRKOLUGNIBVIJY-SECBINFHSA-N 1 2 299.331 -1.832 20 0 CAADLO C[N@H+]1CCOC[C@H]1CNC(=O)NCCN1C(=O)CNC1=O ZINC000623609501 373827954 /nfs/dbraw/zinc/82/79/54/373827954.db2.gz DRKOLUGNIBVIJY-SECBINFHSA-N 1 2 299.331 -1.832 20 0 CAADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)NCCN1C(=O)CNC1=O ZINC000623609502 373828234 /nfs/dbraw/zinc/82/82/34/373828234.db2.gz DRKOLUGNIBVIJY-VIFPVBQESA-N 1 2 299.331 -1.832 20 0 CAADLO C[N@H+]1CCOC[C@@H]1CNC(=O)NCCN1C(=O)CNC1=O ZINC000623609502 373828239 /nfs/dbraw/zinc/82/82/39/373828239.db2.gz DRKOLUGNIBVIJY-VIFPVBQESA-N 1 2 299.331 -1.832 20 0 CAADLO CN1C[C@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)C(=O)N1 ZINC000613254137 373795812 /nfs/dbraw/zinc/79/58/12/373795812.db2.gz OVNRFOBBQVNRGC-WPRPVWTQSA-N 1 2 263.301 -1.093 20 0 CAADLO CN1C[C@@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)C(=O)N1 ZINC000613254136 373796106 /nfs/dbraw/zinc/79/61/06/373796106.db2.gz OVNRFOBBQVNRGC-WCBMZHEXSA-N 1 2 263.301 -1.093 20 0 CAADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(C)NC1=O ZINC000613252678 373796509 /nfs/dbraw/zinc/79/65/09/373796509.db2.gz FWTSUBJXMLKKIZ-IWSPIJDZSA-N 1 2 263.301 -1.015 20 0 CAADLO C[C@H]1C[N@@H+]([C@H]2COC[C@H]2O)CCN1S(C)(=O)=O ZINC000463153939 373798544 /nfs/dbraw/zinc/79/85/44/373798544.db2.gz UJZJOYSGBZIKSD-LPEHRKFASA-N 1 2 264.347 -1.288 20 0 CAADLO C[C@H]1C[N@H+]([C@H]2COC[C@H]2O)CCN1S(C)(=O)=O ZINC000463153939 373798556 /nfs/dbraw/zinc/79/85/56/373798556.db2.gz UJZJOYSGBZIKSD-LPEHRKFASA-N 1 2 264.347 -1.288 20 0 CAADLO COC[C@H](CS(=O)(=O)N1CC[NH+](CCO)CC1)OC ZINC000641259747 373801930 /nfs/dbraw/zinc/80/19/30/373801930.db2.gz GOROMMJJGHZUPS-LLVKDONJSA-N 1 2 296.389 -1.413 20 0 CAADLO CC[C@H](O)CC(=O)N[C@@H](CO)C[NH+]1CCOCC1 ZINC000614414063 373878132 /nfs/dbraw/zinc/87/81/32/373878132.db2.gz SQUIDDGIKMOAFO-MNOVXSKESA-N 1 2 260.334 -1.043 20 0 CAADLO C[C@H](CC(=O)NC[C@H]1CN2CC[N@@H+]1CCC2)NC(N)=O ZINC000614514222 373881160 /nfs/dbraw/zinc/88/11/60/373881160.db2.gz KHIDGACMKYRKQD-MNOVXSKESA-N 1 2 283.376 -1.061 20 0 CAADLO C[C@H](CC(=O)NC[C@H]1CN2CC[N@H+]1CCC2)NC(N)=O ZINC000614514222 373881164 /nfs/dbraw/zinc/88/11/64/373881164.db2.gz KHIDGACMKYRKQD-MNOVXSKESA-N 1 2 283.376 -1.061 20 0 CAADLO C[C@@H](CC(=O)NC[C@@H]1CN2CC[N@@H+]1CCC2)NC(N)=O ZINC000614514224 373881764 /nfs/dbraw/zinc/88/17/64/373881764.db2.gz KHIDGACMKYRKQD-WDEREUQCSA-N 1 2 283.376 -1.061 20 0 CAADLO C[C@@H](CC(=O)NC[C@@H]1CN2CC[N@H+]1CCC2)NC(N)=O ZINC000614514224 373881768 /nfs/dbraw/zinc/88/17/68/373881768.db2.gz KHIDGACMKYRKQD-WDEREUQCSA-N 1 2 283.376 -1.061 20 0 CAADLO O=C(Cn1cccnc1=O)NC[C@@H]1CN2CC[N@@H+]1CCC2 ZINC000614513232 373881981 /nfs/dbraw/zinc/88/19/81/373881981.db2.gz TWSQSBZVOWSTCB-GFCCVEGCSA-N 1 2 291.355 -1.251 20 0 CAADLO O=C(Cn1cccnc1=O)NC[C@@H]1CN2CC[N@H+]1CCC2 ZINC000614513232 373881983 /nfs/dbraw/zinc/88/19/83/373881983.db2.gz TWSQSBZVOWSTCB-GFCCVEGCSA-N 1 2 291.355 -1.251 20 0 CAADLO CN1C(=O)C[C@H]([N@@H+]2CCC[C@H](NS(C)(=O)=O)C2)C1=O ZINC000614563645 373886329 /nfs/dbraw/zinc/88/63/29/373886329.db2.gz MTGGAVJFXUHCIQ-IUCAKERBSA-N 1 2 289.357 -1.243 20 0 CAADLO CN1C(=O)C[C@H]([N@H+]2CCC[C@H](NS(C)(=O)=O)C2)C1=O ZINC000614563645 373886333 /nfs/dbraw/zinc/88/63/33/373886333.db2.gz MTGGAVJFXUHCIQ-IUCAKERBSA-N 1 2 289.357 -1.243 20 0 CAADLO C[C@@H](CS(C)(=O)=O)C(=O)N[C@H](CO)C[NH+](C)C ZINC000614847651 373896293 /nfs/dbraw/zinc/89/62/93/373896293.db2.gz MWZLYYYKYMYKNU-IUCAKERBSA-N 1 2 266.363 -1.294 20 0 CAADLO C[NH+](C)C[C@H](CO)NC(=O)C1(S(C)(=O)=O)CCC1 ZINC000614849720 373898248 /nfs/dbraw/zinc/89/82/48/373898248.db2.gz ZRKASWMFPYKFOV-SECBINFHSA-N 1 2 278.374 -1.008 20 0 CAADLO C[NH+](C)C[C@@H](CO)NC(=O)CSc1n[nH]c(=O)[nH]1 ZINC000614851604 373898290 /nfs/dbraw/zinc/89/82/90/373898290.db2.gz JEQXNUXIWHRNTO-LURJTMIESA-N 1 2 275.334 -1.359 20 0 CAADLO C[NH+](C)C[C@@H](CO)NC(=O)CS(=O)(=O)C1CC1 ZINC000614856772 373901042 /nfs/dbraw/zinc/90/10/42/373901042.db2.gz BMVHQVOLQDMQLC-QMMMGPOBSA-N 1 2 264.347 -1.398 20 0 CAADLO Cn1c(C[N@@H+]2CCCC[C@H]2C(N)=O)cc(=O)n(C)c1=O ZINC000010609662 373848085 /nfs/dbraw/zinc/84/80/85/373848085.db2.gz IPBDWRYSULOYFC-JTQLQIEISA-N 1 2 280.328 -1.076 20 0 CAADLO Cn1c(C[N@H+]2CCCC[C@H]2C(N)=O)cc(=O)n(C)c1=O ZINC000010609662 373848091 /nfs/dbraw/zinc/84/80/91/373848091.db2.gz IPBDWRYSULOYFC-JTQLQIEISA-N 1 2 280.328 -1.076 20 0 CAADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)[C@]1(C)CCNC1=O ZINC000630092408 373853853 /nfs/dbraw/zinc/85/38/53/373853853.db2.gz XBXARDSANVMVCW-JOYOIKCWSA-N 1 2 255.318 -1.041 20 0 CAADLO C[N@H+]1CCOC[C@@H]1CNC(=O)[C@]1(C)CCNC1=O ZINC000630092408 373853863 /nfs/dbraw/zinc/85/38/63/373853863.db2.gz XBXARDSANVMVCW-JOYOIKCWSA-N 1 2 255.318 -1.041 20 0 CAADLO CC[N@@H+]1CCOC[C@@H]1C(=O)NCCn1ncnn1 ZINC000540470233 373904298 /nfs/dbraw/zinc/90/42/98/373904298.db2.gz MNRRPIHLTVJWMR-SECBINFHSA-N 1 2 254.294 -1.490 20 0 CAADLO CC[N@H+]1CCOC[C@@H]1C(=O)NCCn1ncnn1 ZINC000540470233 373904312 /nfs/dbraw/zinc/90/43/12/373904312.db2.gz MNRRPIHLTVJWMR-SECBINFHSA-N 1 2 254.294 -1.490 20 0 CAADLO C[C@H](O)C[NH+]1CCN(C(=O)c2nc3n(n2)CCCN3)CC1 ZINC000613672256 373859052 /nfs/dbraw/zinc/85/90/52/373859052.db2.gz QNJWDLAAIOCNQG-JTQLQIEISA-N 1 2 294.359 -1.510 20 0 CAADLO C[C@H]1CN(C(=O)c2nc3n(n2)CCCN3)CC[N@@H+]1CCO ZINC000613693567 373860948 /nfs/dbraw/zinc/86/09/48/373860948.db2.gz FYPDHIVFPVPJJL-JTQLQIEISA-N 1 2 294.359 -1.510 20 0 CAADLO C[C@H]1CN(C(=O)c2nc3n(n2)CCCN3)CC[N@H+]1CCO ZINC000613693567 373860956 /nfs/dbraw/zinc/86/09/56/373860956.db2.gz FYPDHIVFPVPJJL-JTQLQIEISA-N 1 2 294.359 -1.510 20 0 CAADLO CN1C[C@H](C(=O)NCC2([NH+]3CCOCC3)CC2)NC1=O ZINC000614026356 373866400 /nfs/dbraw/zinc/86/64/00/373866400.db2.gz COHUAJZKLHUQJH-SNVBAGLBSA-N 1 2 282.344 -1.009 20 0 CAADLO O=C(NCC1([NH+]2CCOCC2)CC1)[C@@H]1CC(=O)N1 ZINC000614029585 373867239 /nfs/dbraw/zinc/86/72/39/373867239.db2.gz WZFYQPYUVHKLDK-VIFPVBQESA-N 1 2 253.302 -1.144 20 0 CAADLO CC[C@@H](C(=O)NC[C@H](O)C(N)=O)[N@@H+]1CCO[C@H](CC)C1 ZINC000614077921 373870299 /nfs/dbraw/zinc/87/02/99/373870299.db2.gz VGRCYIKXNGZFJF-VWYCJHECSA-N 1 2 287.360 -1.162 20 0 CAADLO CC[C@@H](C(=O)NC[C@H](O)C(N)=O)[N@H+]1CCO[C@H](CC)C1 ZINC000614077921 373870305 /nfs/dbraw/zinc/87/03/05/373870305.db2.gz VGRCYIKXNGZFJF-VWYCJHECSA-N 1 2 287.360 -1.162 20 0 CAADLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC000614177892 373872571 /nfs/dbraw/zinc/87/25/71/373872571.db2.gz HOCKSDDXMKLGAC-UWVGGRQHSA-N 1 2 298.343 -1.236 20 0 CAADLO COC[C@@](C)(O)C(=O)N[C@@H](CO)C[NH+]1CCOCC1 ZINC000614409396 373875319 /nfs/dbraw/zinc/87/53/19/373875319.db2.gz FUZOBDFPBNFHIT-ZYHUDNBSSA-N 1 2 276.333 -1.807 20 0 CAADLO C[C@@H](CC(=O)N[C@@H](CO)C[NH+]1CCOCC1)NC(N)=O ZINC000614413835 373875367 /nfs/dbraw/zinc/87/53/67/373875367.db2.gz SQKYPODOFUPGIK-VHSXEESVSA-N 1 2 288.348 -1.757 20 0 CAADLO CN1C(=O)CC[C@H]1CC(=O)N[C@@H](CO)C[NH+]1CCOCC1 ZINC000614411374 373875405 /nfs/dbraw/zinc/87/54/05/373875405.db2.gz CTXWPAVOUVPSLI-NEPJUHHUSA-N 1 2 299.371 -1.193 20 0 CAADLO C[C@](O)(C(=O)N[C@@H](CO)C[NH+]1CCOCC1)C1CC1 ZINC000614412575 373875461 /nfs/dbraw/zinc/87/54/61/373875461.db2.gz LRBZYGADXLMGMW-DGCLKSJQSA-N 1 2 272.345 -1.043 20 0 CAADLO CN1C[C@H](C(=O)N[C@H](CO)C[NH+]2CCOCC2)NC1=O ZINC000614412177 373875673 /nfs/dbraw/zinc/87/56/73/373875673.db2.gz IDCGHWJCZHITNQ-VHSXEESVSA-N 1 2 286.332 -2.181 20 0 CAADLO CC(C)(CO)C(=O)N[C@@H](CO)C[NH+]1CCOCC1 ZINC000614410409 373875817 /nfs/dbraw/zinc/87/58/17/373875817.db2.gz WRHLRQRPSRPIAI-SNVBAGLBSA-N 1 2 260.334 -1.186 20 0 CAADLO C[C@@H](CC(N)=O)C(=O)N[C@H](CO)C[NH+]1CCOCC1 ZINC000614413341 373875833 /nfs/dbraw/zinc/87/58/33/373875833.db2.gz PYZGYJTYNHHBIX-UWVGGRQHSA-N 1 2 273.333 -1.693 20 0 CAADLO O=C(Cn1cccnc1=O)N[C@@H](CO)C[NH+]1CCOCC1 ZINC000614409325 373875962 /nfs/dbraw/zinc/87/59/62/373875962.db2.gz DLLIGHJVBXFJTG-LLVKDONJSA-N 1 2 296.327 -1.947 20 0 CAADLO C[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C[NH+]1CCOCC1 ZINC000614413342 373876007 /nfs/dbraw/zinc/87/60/07/373876007.db2.gz PYZGYJTYNHHBIX-VHSXEESVSA-N 1 2 273.333 -1.693 20 0 CAADLO O=C(N[C@H](CO)C[NH+]1CCOCC1)C1(O)CCC1 ZINC000614410437 373876093 /nfs/dbraw/zinc/87/60/93/373876093.db2.gz XOQMKRKCMYKMLY-JTQLQIEISA-N 1 2 258.318 -1.289 20 0 CAADLO NC(=O)[C@@H]1CC[C@H]1C(=O)N[C@@H](CO)C[NH+]1CCOCC1 ZINC000614413295 373876200 /nfs/dbraw/zinc/87/62/00/373876200.db2.gz PHHIEWQIMYIZIC-GMTAPVOTSA-N 1 2 285.344 -1.693 20 0 CAADLO NC(=O)[C@@H]1CC[C@H]1C(=O)N[C@H](CO)C[NH+]1CCOCC1 ZINC000614413296 373876281 /nfs/dbraw/zinc/87/62/81/373876281.db2.gz PHHIEWQIMYIZIC-HBNTYKKESA-N 1 2 285.344 -1.693 20 0 CAADLO CN1C[C@H](C(=O)N[C@@H](CO)C[NH+]2CCOCC2)NC1=O ZINC000614412175 373876329 /nfs/dbraw/zinc/87/63/29/373876329.db2.gz IDCGHWJCZHITNQ-NXEZZACHSA-N 1 2 286.332 -2.181 20 0 CAADLO C[C@H](CC(=O)N[C@@H](CO)C[NH+]1CCOCC1)NC(N)=O ZINC000614413789 373876477 /nfs/dbraw/zinc/87/64/77/373876477.db2.gz SQKYPODOFUPGIK-NXEZZACHSA-N 1 2 288.348 -1.757 20 0 CAADLO CCNC(=O)CCC(=O)N[C@@H](CO)C[NH+]1CCOCC1 ZINC000614410188 373876489 /nfs/dbraw/zinc/87/64/89/373876489.db2.gz PROJVQZCAYDKEA-LLVKDONJSA-N 1 2 287.360 -1.288 20 0 CAADLO O=C(N[C@@H](CO)C[NH+]1CCOCC1)[C@]1(O)CCOC1 ZINC000614412139 373876633 /nfs/dbraw/zinc/87/66/33/373876633.db2.gz HRCQMAQHCUWTSE-PWSUYJOCSA-N 1 2 274.317 -2.053 20 0 CAADLO O=C(N[C@@H](CO)C[NH+]1CCOCC1)C1(n2cnnn2)CC1 ZINC000614414280 373877892 /nfs/dbraw/zinc/87/78/92/373877892.db2.gz VXHDOIOKQRPUQY-SNVBAGLBSA-N 1 2 296.331 -2.029 20 0 CAADLO O=C(N[C@@H](CO)C[NH+]1CCOCC1)c1ncc[nH]1 ZINC000614414183 373877948 /nfs/dbraw/zinc/87/79/48/373877948.db2.gz UKBBSECYNMSWPJ-SECBINFHSA-N 1 2 254.290 -1.167 20 0 CAADLO C[C@@H](NC(=O)CN1CC[NH2+]CC1=O)c1nc[nH]n1 ZINC000566181308 373943765 /nfs/dbraw/zinc/94/37/65/373943765.db2.gz SKIKFXFQUBVRRY-SSDOTTSWSA-N 1 2 252.278 -1.586 20 0 CAADLO C[C@@H](NC(=O)CN1CC[NH2+]CC1=O)c1nnc[nH]1 ZINC000566181308 373943775 /nfs/dbraw/zinc/94/37/75/373943775.db2.gz SKIKFXFQUBVRRY-SSDOTTSWSA-N 1 2 252.278 -1.586 20 0 CAADLO CC(C)NS(=O)(=O)[C@@H]1CC[N@@H+]([C@@H]2CC(=O)NC2=O)C1 ZINC000566627658 373950778 /nfs/dbraw/zinc/95/07/78/373950778.db2.gz LESNSASBJDBQDY-RKDXNWHRSA-N 1 2 289.357 -1.196 20 0 CAADLO CC(C)NS(=O)(=O)[C@@H]1CC[N@H+]([C@@H]2CC(=O)NC2=O)C1 ZINC000566627658 373950788 /nfs/dbraw/zinc/95/07/88/373950788.db2.gz LESNSASBJDBQDY-RKDXNWHRSA-N 1 2 289.357 -1.196 20 0 CAADLO CC(C)NS(=O)(=O)[C@@H]1CC[N@@H+]([C@H]2CC(=O)NC2=O)C1 ZINC000566627655 373951745 /nfs/dbraw/zinc/95/17/45/373951745.db2.gz LESNSASBJDBQDY-BDAKNGLRSA-N 1 2 289.357 -1.196 20 0 CAADLO CC(C)NS(=O)(=O)[C@@H]1CC[N@H+]([C@H]2CC(=O)NC2=O)C1 ZINC000566627655 373951750 /nfs/dbraw/zinc/95/17/50/373951750.db2.gz LESNSASBJDBQDY-BDAKNGLRSA-N 1 2 289.357 -1.196 20 0 CAADLO NC(=O)[C@@H]1CC[C@@H]1C(=O)N1CC[NH+](CCO)CC1 ZINC000566981734 373953709 /nfs/dbraw/zinc/95/37/09/373953709.db2.gz OHTKKPGZQBIPJL-ZJUUUORDSA-N 1 2 255.318 -1.366 20 0 CAADLO C[C@H]1C[N@H+](CCNC(=O)CCc2nn[nH]n2)CCO1 ZINC000630880264 373958225 /nfs/dbraw/zinc/95/82/25/373958225.db2.gz RQEGWCSZVRQEJW-VIFPVBQESA-N 1 2 268.321 -1.031 20 0 CAADLO C[C@H]1C[N@@H+](CCNC(=O)CCc2nn[nH]n2)CCO1 ZINC000630880264 373958235 /nfs/dbraw/zinc/95/82/35/373958235.db2.gz RQEGWCSZVRQEJW-VIFPVBQESA-N 1 2 268.321 -1.031 20 0 CAADLO CCCCn1nnnc1C[N@@H+]1CC[C@](O)(C(N)=O)C1 ZINC000311573126 373959038 /nfs/dbraw/zinc/95/90/38/373959038.db2.gz VFDSNLQRXVWTAR-LLVKDONJSA-N 1 2 268.321 -1.105 20 0 CAADLO CCCCn1nnnc1C[N@H+]1CC[C@](O)(C(N)=O)C1 ZINC000311573126 373959049 /nfs/dbraw/zinc/95/90/49/373959049.db2.gz VFDSNLQRXVWTAR-LLVKDONJSA-N 1 2 268.321 -1.105 20 0 CAADLO COC[C@@H](C)S(=O)(=O)N1CC[NH+](CCO)CC1 ZINC000156212485 373960135 /nfs/dbraw/zinc/96/01/35/373960135.db2.gz RFACIOLTJMXKKI-SNVBAGLBSA-N 1 2 266.363 -1.039 20 0 CAADLO COC(=O)CNC(=O)[C@@H](C)[N@@H+]1CCN2CCOC[C@@H]2C1 ZINC000541698667 373905875 /nfs/dbraw/zinc/90/58/75/373905875.db2.gz DEMACHJYFVRBNF-MNOVXSKESA-N 1 2 285.344 -1.320 20 0 CAADLO COC(=O)CNC(=O)[C@@H](C)[N@H+]1CCN2CCOC[C@@H]2C1 ZINC000541698667 373905880 /nfs/dbraw/zinc/90/58/80/373905880.db2.gz DEMACHJYFVRBNF-MNOVXSKESA-N 1 2 285.344 -1.320 20 0 CAADLO C[C@@H](O)C(=O)NCC[NH+]1CCN(C(=O)[C@@H](C)O)CC1 ZINC000614909265 373906260 /nfs/dbraw/zinc/90/62/60/373906260.db2.gz RFKIKKOFWBBLCA-NXEZZACHSA-N 1 2 273.333 -1.992 20 0 CAADLO C[C@@H](O)C(=O)NCC[NH+]1CCN(C(=O)[C@H](C)O)CC1 ZINC000614909269 373906633 /nfs/dbraw/zinc/90/66/33/373906633.db2.gz RFKIKKOFWBBLCA-ZJUUUORDSA-N 1 2 273.333 -1.992 20 0 CAADLO C[C@H](O)C(=O)NCC[NH+]1CCN(C(=O)[C@H](C)O)CC1 ZINC000614909266 373906651 /nfs/dbraw/zinc/90/66/51/373906651.db2.gz RFKIKKOFWBBLCA-UWVGGRQHSA-N 1 2 273.333 -1.992 20 0 CAADLO COC(=O)CNC(=O)[C@H](C)[N@@H+]1CCN2CCOC[C@H]2C1 ZINC000541698669 373907068 /nfs/dbraw/zinc/90/70/68/373907068.db2.gz DEMACHJYFVRBNF-WDEREUQCSA-N 1 2 285.344 -1.320 20 0 CAADLO COC(=O)CNC(=O)[C@H](C)[N@H+]1CCN2CCOC[C@H]2C1 ZINC000541698669 373907078 /nfs/dbraw/zinc/90/70/78/373907078.db2.gz DEMACHJYFVRBNF-WDEREUQCSA-N 1 2 285.344 -1.320 20 0 CAADLO C[C@@]1(C(=O)NCC(=O)NCC[NH+]2CCOCC2)CCOC1 ZINC000542655393 373908523 /nfs/dbraw/zinc/90/85/23/373908523.db2.gz MNKPTMPKRRTOIY-CQSZACIVSA-N 1 2 299.371 -1.022 20 0 CAADLO CNS(=O)(=O)C[C@H]1CCC[N@@H+]([C@H]2CC(=O)NC2=O)C1 ZINC000630383462 373910748 /nfs/dbraw/zinc/91/07/48/373910748.db2.gz NCSDUQGUDYGWPX-IUCAKERBSA-N 1 2 289.357 -1.337 20 0 CAADLO CNS(=O)(=O)C[C@H]1CCC[N@H+]([C@H]2CC(=O)NC2=O)C1 ZINC000630383462 373910751 /nfs/dbraw/zinc/91/07/51/373910751.db2.gz NCSDUQGUDYGWPX-IUCAKERBSA-N 1 2 289.357 -1.337 20 0 CAADLO O=C(NCC[NH+]1CCOCC1)N[C@H]1COC[C@H]1O ZINC000630400206 373911004 /nfs/dbraw/zinc/91/10/04/373911004.db2.gz IWIGQJDYLBUYCN-VHSXEESVSA-N 1 2 259.306 -1.623 20 0 CAADLO CS(=O)(=O)NC1CN(C(=O)NCCn2cc[nH+]c2)C1 ZINC000630395382 373911420 /nfs/dbraw/zinc/91/14/20/373911420.db2.gz YZXAPIQQPXPPBQ-UHFFFAOYSA-N 1 2 287.345 -1.174 20 0 CAADLO CCNC(=O)C[N@H+](CC)CC(=O)N1CCNC1=O ZINC000072605257 373912947 /nfs/dbraw/zinc/91/29/47/373912947.db2.gz XWZIWDADDQLNCD-UHFFFAOYSA-N 1 2 256.306 -1.004 20 0 CAADLO CCNC(=O)C[N@@H+](CC)CC(=O)N1CCNC1=O ZINC000072605257 373912952 /nfs/dbraw/zinc/91/29/52/373912952.db2.gz XWZIWDADDQLNCD-UHFFFAOYSA-N 1 2 256.306 -1.004 20 0 CAADLO Cn1c(N)c(C(=O)C[N@H+](C)C2CC(O)C2)c(=O)n(C)c1=O ZINC000544749642 373913335 /nfs/dbraw/zinc/91/33/35/373913335.db2.gz CFYFMKRPLZUWCS-UHFFFAOYSA-N 1 2 296.327 -1.696 20 0 CAADLO Cn1c(N)c(C(=O)C[N@@H+](C)C2CC(O)C2)c(=O)n(C)c1=O ZINC000544749642 373913342 /nfs/dbraw/zinc/91/33/42/373913342.db2.gz CFYFMKRPLZUWCS-UHFFFAOYSA-N 1 2 296.327 -1.696 20 0 CAADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@H]1CCCNC1=O ZINC000631677605 373917444 /nfs/dbraw/zinc/91/74/44/373917444.db2.gz BTSJHKFDTIGYHO-RYUDHWBXSA-N 1 2 299.371 -1.336 20 0 CAADLO O=C([C@@H]1CC(=O)NC(=O)N1)N1CCn2c[nH+]cc2C1 ZINC000615039247 373917819 /nfs/dbraw/zinc/91/78/19/373917819.db2.gz HDNBJQWXVAQSKV-QMMMGPOBSA-N 1 2 263.257 -1.177 20 0 CAADLO CCNC(=O)[C@@H](C)NS(=O)(=O)C[C@@H]1C[N@H+](C)CCO1 ZINC000631673624 373918123 /nfs/dbraw/zinc/91/81/23/373918123.db2.gz ITRLLYSIRHYAIE-ZJUUUORDSA-N 1 2 293.389 -1.239 20 0 CAADLO CCNC(=O)[C@@H](C)NS(=O)(=O)C[C@@H]1C[N@@H+](C)CCO1 ZINC000631673624 373918139 /nfs/dbraw/zinc/91/81/39/373918139.db2.gz ITRLLYSIRHYAIE-ZJUUUORDSA-N 1 2 293.389 -1.239 20 0 CAADLO C[NH+](C)CC(=O)N1CCN(C(=O)CCc2cnn[nH]2)CC1 ZINC000630720021 373919751 /nfs/dbraw/zinc/91/97/51/373919751.db2.gz HRABCRUDDKMLDZ-UHFFFAOYSA-N 1 2 294.359 -1.030 20 0 CAADLO COCC[NH+]1CCN(C(=O)CCc2nn[nH]n2)CC1 ZINC000631271300 373922215 /nfs/dbraw/zinc/92/22/15/373922215.db2.gz ZYEHCQIBBCQLSD-UHFFFAOYSA-N 1 2 268.321 -1.077 20 0 CAADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)CCc1nn[nH]n1 ZINC000630743562 373922247 /nfs/dbraw/zinc/92/22/47/373922247.db2.gz PEHJVVYJPHGJBY-VIFPVBQESA-N 1 2 268.321 -1.031 20 0 CAADLO CN(CC(N)=O)S(=O)(=O)C[C@H]1C[N@H+](C)CCO1 ZINC000631749126 373922577 /nfs/dbraw/zinc/92/25/77/373922577.db2.gz NTWVPFIUSUXYRE-MRVPVSSYSA-N 1 2 265.335 -1.936 20 0 CAADLO CN(CC(N)=O)S(=O)(=O)C[C@H]1C[N@@H+](C)CCO1 ZINC000631749126 373922588 /nfs/dbraw/zinc/92/25/88/373922588.db2.gz NTWVPFIUSUXYRE-MRVPVSSYSA-N 1 2 265.335 -1.936 20 0 CAADLO CN(CC(N)=O)S(=O)(=O)C[C@@H]1C[N@H+](C)CCO1 ZINC000631749133 373922880 /nfs/dbraw/zinc/92/28/80/373922880.db2.gz NTWVPFIUSUXYRE-QMMMGPOBSA-N 1 2 265.335 -1.936 20 0 CAADLO CN(CC(N)=O)S(=O)(=O)C[C@@H]1C[N@@H+](C)CCO1 ZINC000631749133 373922892 /nfs/dbraw/zinc/92/28/92/373922892.db2.gz NTWVPFIUSUXYRE-QMMMGPOBSA-N 1 2 265.335 -1.936 20 0 CAADLO Cn1c[nH+]cc1CNC(=O)CN1CCN(C)C(=O)C1 ZINC000555108858 373927399 /nfs/dbraw/zinc/92/73/99/373927399.db2.gz APKHGQXTDVMXFU-UHFFFAOYSA-N 1 2 265.317 -1.190 20 0 CAADLO CC(=O)NCC[N@@H+](C)CCS(=O)(=O)N(C)C ZINC000564929160 373931534 /nfs/dbraw/zinc/93/15/34/373931534.db2.gz RIVVHESPIRHJAQ-UHFFFAOYSA-N 1 2 251.352 -1.054 20 0 CAADLO CC(=O)NCC[N@H+](C)CCS(=O)(=O)N(C)C ZINC000564929160 373931541 /nfs/dbraw/zinc/93/15/41/373931541.db2.gz RIVVHESPIRHJAQ-UHFFFAOYSA-N 1 2 251.352 -1.054 20 0 CAADLO COC(=O)[C@@H](C)CN(C)C(=O)CN1CC[NH2+]CC1=O ZINC000564910195 373931628 /nfs/dbraw/zinc/93/16/28/373931628.db2.gz ZPZXCVBMOSPHOG-VIFPVBQESA-N 1 2 271.317 -1.314 20 0 CAADLO Cn1c([O-])ncc(C(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])c1=O ZINC000568085370 373963719 /nfs/dbraw/zinc/96/37/19/373963719.db2.gz GQAZKGLZBMAVJJ-QMMMGPOBSA-N 1 2 281.316 -1.799 20 0 CAADLO Cn1c([O-])ncc(C(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])c1=O ZINC000568085370 373963725 /nfs/dbraw/zinc/96/37/25/373963725.db2.gz GQAZKGLZBMAVJJ-QMMMGPOBSA-N 1 2 281.316 -1.799 20 0 CAADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)NCc1nnn(C)n1 ZINC000565635032 373937899 /nfs/dbraw/zinc/93/78/99/373937899.db2.gz KFRGILOIOXVOIT-SECBINFHSA-N 1 2 283.336 -1.270 20 0 CAADLO C[C@@H]1COCC[N@H+]1CCNC(=O)NCc1nnn(C)n1 ZINC000565635032 373937905 /nfs/dbraw/zinc/93/79/05/373937905.db2.gz KFRGILOIOXVOIT-SECBINFHSA-N 1 2 283.336 -1.270 20 0 CAADLO C[C@@H]1CN(CCOCC[N@H+]2CC(=O)N[C@H](C)C2)CC(=O)N1 ZINC000565462935 373938002 /nfs/dbraw/zinc/93/80/02/373938002.db2.gz KFAXNKCVVYLKLZ-VXGBXAGGSA-N 1 2 298.387 -1.356 20 0 CAADLO C[C@@H]1CN(CCOCC[N@@H+]2CC(=O)N[C@H](C)C2)CC(=O)N1 ZINC000565462935 373938008 /nfs/dbraw/zinc/93/80/08/373938008.db2.gz KFAXNKCVVYLKLZ-VXGBXAGGSA-N 1 2 298.387 -1.356 20 0 CAADLO COC(=O)C[C@H]1C(=O)NCC[N@H+]1CC[C@@H]1CCNC1=O ZINC000565988857 373940923 /nfs/dbraw/zinc/94/09/23/373940923.db2.gz GZWQPTVYONXTTH-UWVGGRQHSA-N 1 2 283.328 -1.124 20 0 CAADLO COC(=O)C[C@H]1C(=O)NCC[N@@H+]1CC[C@@H]1CCNC1=O ZINC000565988857 373940927 /nfs/dbraw/zinc/94/09/27/373940927.db2.gz GZWQPTVYONXTTH-UWVGGRQHSA-N 1 2 283.328 -1.124 20 0 CAADLO COC(=O)C[C@@H]1C(=O)NCC[N@H+]1CC[C@H]1CCNC1=O ZINC000565988856 373941568 /nfs/dbraw/zinc/94/15/68/373941568.db2.gz GZWQPTVYONXTTH-NXEZZACHSA-N 1 2 283.328 -1.124 20 0 CAADLO COC(=O)C[C@@H]1C(=O)NCC[N@@H+]1CC[C@H]1CCNC1=O ZINC000565988856 373941573 /nfs/dbraw/zinc/94/15/73/373941573.db2.gz GZWQPTVYONXTTH-NXEZZACHSA-N 1 2 283.328 -1.124 20 0 CAADLO COC(=O)C[C@@H]1C(=O)NCC[N@H+]1CC[C@@H]1CCNC1=O ZINC000565988858 373941671 /nfs/dbraw/zinc/94/16/71/373941671.db2.gz GZWQPTVYONXTTH-VHSXEESVSA-N 1 2 283.328 -1.124 20 0 CAADLO COC(=O)C[C@@H]1C(=O)NCC[N@@H+]1CC[C@@H]1CCNC1=O ZINC000565988858 373941678 /nfs/dbraw/zinc/94/16/78/373941678.db2.gz GZWQPTVYONXTTH-VHSXEESVSA-N 1 2 283.328 -1.124 20 0 CAADLO CC(C)NC(=O)NCC[N@@H+]1CCO[C@H](C(N)=O)C1 ZINC000578744025 373995666 /nfs/dbraw/zinc/99/56/66/373995666.db2.gz ZAOYCESCBLYPCQ-VIFPVBQESA-N 1 2 258.322 -1.120 20 0 CAADLO CC(C)NC(=O)NCC[N@H+]1CCO[C@H](C(N)=O)C1 ZINC000578744025 373995671 /nfs/dbraw/zinc/99/56/71/373995671.db2.gz ZAOYCESCBLYPCQ-VIFPVBQESA-N 1 2 258.322 -1.120 20 0 CAADLO COC(=O)[C@](C)(O)C[N@@H+]1CCSC[C@H]1C(N)=O ZINC000579034328 373998446 /nfs/dbraw/zinc/99/84/46/373998446.db2.gz FWAHMDYDNPGDNQ-OIBJUYFYSA-N 1 2 262.331 -1.187 20 0 CAADLO COC(=O)[C@](C)(O)C[N@H+]1CCSC[C@H]1C(N)=O ZINC000579034328 373998451 /nfs/dbraw/zinc/99/84/51/373998451.db2.gz FWAHMDYDNPGDNQ-OIBJUYFYSA-N 1 2 262.331 -1.187 20 0 CAADLO CNS(=O)(=O)[C@@H]1CCC[N@@H+]([C@H]2CC(=O)NC2=O)C1 ZINC000579137437 373998600 /nfs/dbraw/zinc/99/86/00/373998600.db2.gz BYDWQIDHDUKKKC-SFYZADRCSA-N 1 2 275.330 -1.585 20 0 CAADLO CNS(=O)(=O)[C@@H]1CCC[N@H+]([C@H]2CC(=O)NC2=O)C1 ZINC000579137437 373998606 /nfs/dbraw/zinc/99/86/06/373998606.db2.gz BYDWQIDHDUKKKC-SFYZADRCSA-N 1 2 275.330 -1.585 20 0 CAADLO CNS(=O)(=O)[C@@H]1CCC[N@@H+]([C@@H]2CC(=O)NC2=O)C1 ZINC000579137435 373998849 /nfs/dbraw/zinc/99/88/49/373998849.db2.gz BYDWQIDHDUKKKC-HTQZYQBOSA-N 1 2 275.330 -1.585 20 0 CAADLO CNS(=O)(=O)[C@@H]1CCC[N@H+]([C@@H]2CC(=O)NC2=O)C1 ZINC000579137435 373998855 /nfs/dbraw/zinc/99/88/55/373998855.db2.gz BYDWQIDHDUKKKC-HTQZYQBOSA-N 1 2 275.330 -1.585 20 0 CAADLO Cn1ccc(S(=O)(=O)NC[C@@H]2C[N@H+](C)CCN2C)n1 ZINC000579827321 374006140 /nfs/dbraw/zinc/00/61/40/374006140.db2.gz GBPRXKOOTLNDMW-SNVBAGLBSA-N 1 2 287.389 -1.056 20 0 CAADLO Cn1ccc(S(=O)(=O)NC[C@@H]2C[N@@H+](C)CCN2C)n1 ZINC000579827321 374006145 /nfs/dbraw/zinc/00/61/45/374006145.db2.gz GBPRXKOOTLNDMW-SNVBAGLBSA-N 1 2 287.389 -1.056 20 0 CAADLO CN(C)C(=O)CCC[NH+]1CCN(S(N)(=O)=O)CC1 ZINC000579908977 374006180 /nfs/dbraw/zinc/00/61/80/374006180.db2.gz SBFHBMYQFRNMIT-UHFFFAOYSA-N 1 2 278.378 -1.324 20 0 CAADLO O=C(Cn1cc[nH+]c1)NCCN1CCNC(=O)C1 ZINC000580793813 374007523 /nfs/dbraw/zinc/00/75/23/374007523.db2.gz FKNFABCLROGFRW-UHFFFAOYSA-N 1 2 251.290 -1.569 20 0 CAADLO CNC(=O)CCNS(=O)(=O)C[C@@H]1C[N@H+](C)CCO1 ZINC000631772861 374009394 /nfs/dbraw/zinc/00/93/94/374009394.db2.gz AECBTMHURZXKFT-VIFPVBQESA-N 1 2 279.362 -1.628 20 0 CAADLO CNC(=O)CCNS(=O)(=O)C[C@@H]1C[N@@H+](C)CCO1 ZINC000631772861 374009400 /nfs/dbraw/zinc/00/94/00/374009400.db2.gz AECBTMHURZXKFT-VIFPVBQESA-N 1 2 279.362 -1.628 20 0 CAADLO Cn1ncc2c1ncnc2N1CC[NH+](CC(N)=O)CC1 ZINC000012486760 374014552 /nfs/dbraw/zinc/01/45/52/374014552.db2.gz PAWADALGHDEYFS-UHFFFAOYSA-N 1 2 275.316 -1.029 20 0 CAADLO COC(=O)CNC(=O)C[N@H+](C)CC(=O)NC(C)C ZINC000016354701 374015068 /nfs/dbraw/zinc/01/50/68/374015068.db2.gz VFUGQCATMDJKRP-UHFFFAOYSA-N 1 2 259.306 -1.268 20 0 CAADLO COC(=O)CNC(=O)C[N@@H+](C)CC(=O)NC(C)C ZINC000016354701 374015074 /nfs/dbraw/zinc/01/50/74/374015074.db2.gz VFUGQCATMDJKRP-UHFFFAOYSA-N 1 2 259.306 -1.268 20 0 CAADLO CNC(=O)[C@@H](C)NS(=O)(=O)C[C@H]1C[N@H+](C)CCO1 ZINC000631781209 374015352 /nfs/dbraw/zinc/01/53/52/374015352.db2.gz WTNDUQSQOWFOGS-RKDXNWHRSA-N 1 2 279.362 -1.629 20 0 CAADLO CNC(=O)[C@@H](C)NS(=O)(=O)C[C@H]1C[N@@H+](C)CCO1 ZINC000631781209 374015360 /nfs/dbraw/zinc/01/53/60/374015360.db2.gz WTNDUQSQOWFOGS-RKDXNWHRSA-N 1 2 279.362 -1.629 20 0 CAADLO CNC(=O)[C@H](C)NS(=O)(=O)C[C@@H]1C[N@H+](C)CCO1 ZINC000631781208 374015619 /nfs/dbraw/zinc/01/56/19/374015619.db2.gz WTNDUQSQOWFOGS-IUCAKERBSA-N 1 2 279.362 -1.629 20 0 CAADLO CNC(=O)[C@H](C)NS(=O)(=O)C[C@@H]1C[N@@H+](C)CCO1 ZINC000631781208 374015626 /nfs/dbraw/zinc/01/56/26/374015626.db2.gz WTNDUQSQOWFOGS-IUCAKERBSA-N 1 2 279.362 -1.629 20 0 CAADLO CC(=O)N1CC[NH+](CC(=O)N2CCC[C@@H](C(N)=O)C2)CC1 ZINC000020940202 374016655 /nfs/dbraw/zinc/01/66/55/374016655.db2.gz MHQLHRXEEWXJME-GFCCVEGCSA-N 1 2 296.371 -1.126 20 0 CAADLO CCN(CC)C(=O)C[NH+]1CCN(CC(N)=O)CC1 ZINC000023267816 374018137 /nfs/dbraw/zinc/01/81/37/374018137.db2.gz AVLSYRFQPAWQAW-UHFFFAOYSA-N 1 2 256.350 -1.042 20 0 CAADLO CCC[N@H+](C)CC(=O)N[C@@H]1CS(=O)(=O)C[C@H]1O ZINC000568215127 373966085 /nfs/dbraw/zinc/96/60/85/373966085.db2.gz LXERXKANVTYUNA-RKDXNWHRSA-N 1 2 264.347 -1.398 20 0 CAADLO CCC[N@@H+](C)CC(=O)N[C@@H]1CS(=O)(=O)C[C@H]1O ZINC000568215127 373966091 /nfs/dbraw/zinc/96/60/91/373966091.db2.gz LXERXKANVTYUNA-RKDXNWHRSA-N 1 2 264.347 -1.398 20 0 CAADLO CCNS(=O)(=O)[C@H]1CC[N@@H+]([C@@H]2CC(=O)NC2=O)C1 ZINC000568409079 373968803 /nfs/dbraw/zinc/96/88/03/373968803.db2.gz XWIOEUBPGQPMIY-JGVFFNPUSA-N 1 2 275.330 -1.585 20 0 CAADLO CCNS(=O)(=O)[C@H]1CC[N@H+]([C@@H]2CC(=O)NC2=O)C1 ZINC000568409079 373968810 /nfs/dbraw/zinc/96/88/10/373968810.db2.gz XWIOEUBPGQPMIY-JGVFFNPUSA-N 1 2 275.330 -1.585 20 0 CAADLO CS(=O)(=O)NC[C@@H]1CCC[N@@H+]([C@@H]2CC(=O)NC2=O)C1 ZINC000569257027 373975690 /nfs/dbraw/zinc/97/56/90/373975690.db2.gz VQOPECCGINMGBQ-DTWKUNHWSA-N 1 2 289.357 -1.337 20 0 CAADLO CS(=O)(=O)NC[C@@H]1CCC[N@H+]([C@@H]2CC(=O)NC2=O)C1 ZINC000569257027 373975697 /nfs/dbraw/zinc/97/56/97/373975697.db2.gz VQOPECCGINMGBQ-DTWKUNHWSA-N 1 2 289.357 -1.337 20 0 CAADLO COc1cc[nH+]cc1NC(=O)C(=O)NC(C)(CO)CO ZINC000572888184 373977387 /nfs/dbraw/zinc/97/73/87/373977387.db2.gz MTPVLMLTRRXGQX-UHFFFAOYSA-N 1 2 283.284 -1.112 20 0 CAADLO C[C@H]1C(=O)NCCN1CCOCC[N@@H+]1CCNC(=O)[C@@H]1C ZINC000178629366 373988351 /nfs/dbraw/zinc/98/83/51/373988351.db2.gz SQFDXPOOONPQGZ-RYUDHWBXSA-N 1 2 298.387 -1.356 20 0 CAADLO C[C@H]1C(=O)NCCN1CCOCC[N@H+]1CCNC(=O)[C@@H]1C ZINC000178629366 373988353 /nfs/dbraw/zinc/98/83/53/373988353.db2.gz SQFDXPOOONPQGZ-RYUDHWBXSA-N 1 2 298.387 -1.356 20 0 CAADLO CN1CCOC[C@H]1C(=O)N[C@H](CO)C[NH+]1CCOCC1 ZINC000578186562 373990666 /nfs/dbraw/zinc/99/06/66/373990666.db2.gz YXHNNNJSUFBBBO-RYUDHWBXSA-N 1 2 287.360 -1.874 20 0 CAADLO O=C1NC[C@@H]2C[N@H+](Cc3ncccc3O)CCN2C1=O ZINC000578175000 373990920 /nfs/dbraw/zinc/99/09/20/373990920.db2.gz VWMMCRHDVVDXRR-SECBINFHSA-N 1 2 276.296 -1.070 20 0 CAADLO O=C1NC[C@@H]2C[N@@H+](Cc3ncccc3O)CCN2C1=O ZINC000578175000 373990926 /nfs/dbraw/zinc/99/09/26/373990926.db2.gz VWMMCRHDVVDXRR-SECBINFHSA-N 1 2 276.296 -1.070 20 0 CAADLO CC(C)NC(=O)C[N@H+](C)CC(=O)NCC(C)(CO)CO ZINC000578199178 373991001 /nfs/dbraw/zinc/99/10/01/373991001.db2.gz YNXNBHYOGZGAJF-UHFFFAOYSA-N 1 2 289.376 -1.450 20 0 CAADLO CC(C)NC(=O)C[N@@H+](C)CC(=O)NCC(C)(CO)CO ZINC000578199178 373991005 /nfs/dbraw/zinc/99/10/05/373991005.db2.gz YNXNBHYOGZGAJF-UHFFFAOYSA-N 1 2 289.376 -1.450 20 0 CAADLO CN1CCOC[C@H]1C(=O)N[C@@H](CO)C[NH+]1CCOCC1 ZINC000578186560 373991040 /nfs/dbraw/zinc/99/10/40/373991040.db2.gz YXHNNNJSUFBBBO-NEPJUHHUSA-N 1 2 287.360 -1.874 20 0 CAADLO O=C1[C@@H]2C[C@@H]2C(=O)N1C[C@@H](O)C[NH+]1CCOCC1 ZINC000380252545 373993785 /nfs/dbraw/zinc/99/37/85/373993785.db2.gz MJSBKTLXQTVJIP-LPEHRKFASA-N 1 2 254.286 -1.316 20 0 CAADLO CNC(=O)CC[NH+]1CCN(C(=O)C(=O)NC(C)C)CC1 ZINC000046503619 374031039 /nfs/dbraw/zinc/03/10/39/374031039.db2.gz WRDXJNBAGFZYDT-UHFFFAOYSA-N 1 2 284.360 -1.209 20 0 CAADLO CS(=O)(=O)NC[C@@H]1CCCC[N@@H+]1CC(=O)NC(N)=O ZINC000046515958 374031168 /nfs/dbraw/zinc/03/11/68/374031168.db2.gz ZRAWPLASWPYDJG-QMMMGPOBSA-N 1 2 292.361 -1.415 20 0 CAADLO CS(=O)(=O)NC[C@@H]1CCCC[N@H+]1CC(=O)NC(N)=O ZINC000046515958 374031173 /nfs/dbraw/zinc/03/11/73/374031173.db2.gz ZRAWPLASWPYDJG-QMMMGPOBSA-N 1 2 292.361 -1.415 20 0 CAADLO COC(=O)C[C@@H]1C(=O)NCC[N@H+]1CCC(=O)N(C)C ZINC000046503182 374032074 /nfs/dbraw/zinc/03/20/74/374032074.db2.gz OXKNHHYKMICBKX-SECBINFHSA-N 1 2 271.317 -1.172 20 0 CAADLO COC(=O)C[C@@H]1C(=O)NCC[N@@H+]1CCC(=O)N(C)C ZINC000046503182 374032084 /nfs/dbraw/zinc/03/20/84/374032084.db2.gz OXKNHHYKMICBKX-SECBINFHSA-N 1 2 271.317 -1.172 20 0 CAADLO CS(=O)(=O)NC[C@H]1CCCC[N@@H+]1CC(=O)NC(N)=O ZINC000046515961 374032242 /nfs/dbraw/zinc/03/22/42/374032242.db2.gz ZRAWPLASWPYDJG-MRVPVSSYSA-N 1 2 292.361 -1.415 20 0 CAADLO CS(=O)(=O)NC[C@H]1CCCC[N@H+]1CC(=O)NC(N)=O ZINC000046515961 374032249 /nfs/dbraw/zinc/03/22/49/374032249.db2.gz ZRAWPLASWPYDJG-MRVPVSSYSA-N 1 2 292.361 -1.415 20 0 CAADLO CN1C[C@H](C(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)NC1=O ZINC000615857273 374033671 /nfs/dbraw/zinc/03/36/71/374033671.db2.gz BBWOPUZMQFZPAY-OUAUKWLOSA-N 1 2 282.344 -1.011 20 0 CAADLO CN1C[C@H](C(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)NC1=O ZINC000615857273 374033683 /nfs/dbraw/zinc/03/36/83/374033683.db2.gz BBWOPUZMQFZPAY-OUAUKWLOSA-N 1 2 282.344 -1.011 20 0 CAADLO CN1C[C@@H](C(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)NC1=O ZINC000615857270 374034015 /nfs/dbraw/zinc/03/40/15/374034015.db2.gz BBWOPUZMQFZPAY-AXFHLTTASA-N 1 2 282.344 -1.011 20 0 CAADLO CN1C[C@@H](C(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)NC1=O ZINC000615857270 374034021 /nfs/dbraw/zinc/03/40/21/374034021.db2.gz BBWOPUZMQFZPAY-AXFHLTTASA-N 1 2 282.344 -1.011 20 0 CAADLO COCCNC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000063853811 374035442 /nfs/dbraw/zinc/03/54/42/374035442.db2.gz YXMXWQXUVWIWEA-LBPRGKRZSA-N 1 2 299.371 -1.070 20 0 CAADLO C[N@H+](CC(=O)NC(N)=O)CC(=O)N1CCOCC1 ZINC000060994353 374036332 /nfs/dbraw/zinc/03/63/32/374036332.db2.gz ALSXVKPLPAVRIS-UHFFFAOYSA-N 1 2 258.278 -2.028 20 0 CAADLO C[N@@H+](CC(=O)NC(N)=O)CC(=O)N1CCOCC1 ZINC000060994353 374036337 /nfs/dbraw/zinc/03/63/37/374036337.db2.gz ALSXVKPLPAVRIS-UHFFFAOYSA-N 1 2 258.278 -2.028 20 0 CAADLO C[C@H](NS(C)(=O)=O)C(=O)N(C)CC[NH+]1CCOCC1 ZINC000066117956 374036441 /nfs/dbraw/zinc/03/64/41/374036441.db2.gz VBJJDYCNZDWNMT-JTQLQIEISA-N 1 2 293.389 -1.285 20 0 CAADLO CCS(=O)(=O)NCC[N@H+](CCOC)[C@H](C)C(N)=O ZINC000068829384 374039120 /nfs/dbraw/zinc/03/91/20/374039120.db2.gz YCLPXDZVAIRGRH-SECBINFHSA-N 1 2 281.378 -1.252 20 0 CAADLO CCS(=O)(=O)NCC[N@@H+](CCOC)[C@H](C)C(N)=O ZINC000068829384 374039128 /nfs/dbraw/zinc/03/91/28/374039128.db2.gz YCLPXDZVAIRGRH-SECBINFHSA-N 1 2 281.378 -1.252 20 0 CAADLO COC(=O)C1(C(=O)N[C@@H](CO)C[NH+]2CCOCC2)CC1 ZINC000619871008 374060108 /nfs/dbraw/zinc/06/01/08/374060108.db2.gz BXWULBBNCUJPOP-SNVBAGLBSA-N 1 2 286.328 -1.251 20 0 CAADLO CNS(=O)(=O)CC[N@H+](C)CC(=O)N1CCOCC1 ZINC000621246115 374065278 /nfs/dbraw/zinc/06/52/78/374065278.db2.gz MCLDWTZOQWWASM-UHFFFAOYSA-N 1 2 279.362 -1.674 20 0 CAADLO CNS(=O)(=O)CC[N@@H+](C)CC(=O)N1CCOCC1 ZINC000621246115 374065286 /nfs/dbraw/zinc/06/52/86/374065286.db2.gz MCLDWTZOQWWASM-UHFFFAOYSA-N 1 2 279.362 -1.674 20 0 CAADLO CC[N@H+](CCS(=O)(=O)NC)CC(=O)N(C)C ZINC000621246485 374065496 /nfs/dbraw/zinc/06/54/96/374065496.db2.gz DHOQOPTXUDDUKA-UHFFFAOYSA-N 1 2 251.352 -1.054 20 0 CAADLO CC[N@@H+](CCS(=O)(=O)NC)CC(=O)N(C)C ZINC000621246485 374065504 /nfs/dbraw/zinc/06/55/04/374065504.db2.gz DHOQOPTXUDDUKA-UHFFFAOYSA-N 1 2 251.352 -1.054 20 0 CAADLO CCNC(=O)C[N@H+](CC)CCS(=O)(=O)NC ZINC000621244150 374065851 /nfs/dbraw/zinc/06/58/51/374065851.db2.gz DDQVFYQUXITEQZ-UHFFFAOYSA-N 1 2 251.352 -1.006 20 0 CAADLO CCNC(=O)C[N@@H+](CC)CCS(=O)(=O)NC ZINC000621244150 374065860 /nfs/dbraw/zinc/06/58/60/374065860.db2.gz DDQVFYQUXITEQZ-UHFFFAOYSA-N 1 2 251.352 -1.006 20 0 CAADLO CNS(=O)(=O)CC[N@@H+]1CCC[C@@H](S(=O)(=O)NC)C1 ZINC000621266977 374067939 /nfs/dbraw/zinc/06/79/39/374067939.db2.gz HZHDSNCMWHKONX-SECBINFHSA-N 1 2 299.418 -1.451 20 0 CAADLO CNS(=O)(=O)CC[N@H+]1CCC[C@@H](S(=O)(=O)NC)C1 ZINC000621266977 374067944 /nfs/dbraw/zinc/06/79/44/374067944.db2.gz HZHDSNCMWHKONX-SECBINFHSA-N 1 2 299.418 -1.451 20 0 CAADLO CCNS(=O)(=O)[C@H]1CC[N@H+](CCS(=O)(=O)NC)C1 ZINC000621272158 374068228 /nfs/dbraw/zinc/06/82/28/374068228.db2.gz FRLCYBUMSSHRDI-VIFPVBQESA-N 1 2 299.418 -1.451 20 0 CAADLO CCNS(=O)(=O)[C@H]1CC[N@@H+](CCS(=O)(=O)NC)C1 ZINC000621272158 374068234 /nfs/dbraw/zinc/06/82/34/374068234.db2.gz FRLCYBUMSSHRDI-VIFPVBQESA-N 1 2 299.418 -1.451 20 0 CAADLO CNS(=O)(=O)CC[N@@H+]1CCC[C@H]1CS(=O)(=O)NC ZINC000621267918 374068264 /nfs/dbraw/zinc/06/82/64/374068264.db2.gz UOZXAVZCZFGJQF-VIFPVBQESA-N 1 2 299.418 -1.451 20 0 CAADLO CNS(=O)(=O)CC[N@H+]1CCC[C@H]1CS(=O)(=O)NC ZINC000621267918 374068269 /nfs/dbraw/zinc/06/82/69/374068269.db2.gz UOZXAVZCZFGJQF-VIFPVBQESA-N 1 2 299.418 -1.451 20 0 CAADLO CNS(=O)(=O)CC[N@@H+]1CC[C@H](S(=O)(=O)NC)C1 ZINC000621269311 374068369 /nfs/dbraw/zinc/06/83/69/374068369.db2.gz QEWRLPDVCCEHRD-QMMMGPOBSA-N 1 2 285.391 -1.841 20 0 CAADLO CNS(=O)(=O)CC[N@H+]1CC[C@H](S(=O)(=O)NC)C1 ZINC000621269311 374068375 /nfs/dbraw/zinc/06/83/75/374068375.db2.gz QEWRLPDVCCEHRD-QMMMGPOBSA-N 1 2 285.391 -1.841 20 0 CAADLO CNS(=O)(=O)CC[N@@H+]1CCN2C(=O)NC[C@@H]2C1 ZINC000621262000 374068388 /nfs/dbraw/zinc/06/83/88/374068388.db2.gz LLZMAIDJJNTPHY-MRVPVSSYSA-N 1 2 262.335 -1.755 20 0 CAADLO CNS(=O)(=O)CC[N@H+]1CCN2C(=O)NC[C@@H]2C1 ZINC000621262000 374068392 /nfs/dbraw/zinc/06/83/92/374068392.db2.gz LLZMAIDJJNTPHY-MRVPVSSYSA-N 1 2 262.335 -1.755 20 0 CAADLO CNS(=O)(=O)CC[N@@H+]1CCN2CCOC[C@H]2C1 ZINC000621278545 374068566 /nfs/dbraw/zinc/06/85/66/374068566.db2.gz RHLGSOKANUQJFE-SNVBAGLBSA-N 1 2 263.363 -1.448 20 0 CAADLO CNS(=O)(=O)CC[N@H+]1CCN2CCOC[C@H]2C1 ZINC000621278545 374068570 /nfs/dbraw/zinc/06/85/70/374068570.db2.gz RHLGSOKANUQJFE-SNVBAGLBSA-N 1 2 263.363 -1.448 20 0 CAADLO CNS(=O)(=O)CC[N@@H+]1C[C@@H](C)O[C@@H](CO)C1 ZINC000621285385 374068768 /nfs/dbraw/zinc/06/87/68/374068768.db2.gz XGKKZQCOFGAYOL-RKDXNWHRSA-N 1 2 252.336 -1.383 20 0 CAADLO CNS(=O)(=O)CC[N@H+]1C[C@@H](C)O[C@@H](CO)C1 ZINC000621285385 374068776 /nfs/dbraw/zinc/06/87/76/374068776.db2.gz XGKKZQCOFGAYOL-RKDXNWHRSA-N 1 2 252.336 -1.383 20 0 CAADLO CNS(=O)(=O)CC[N@@H+]1CCC[C@H](S(N)(=O)=O)C1 ZINC000621272277 374068849 /nfs/dbraw/zinc/06/88/49/374068849.db2.gz KIIXZUJUVMSNKW-QMMMGPOBSA-N 1 2 285.391 -1.712 20 0 CAADLO CNS(=O)(=O)CC[N@H+]1CCC[C@H](S(N)(=O)=O)C1 ZINC000621272277 374068857 /nfs/dbraw/zinc/06/88/57/374068857.db2.gz KIIXZUJUVMSNKW-QMMMGPOBSA-N 1 2 285.391 -1.712 20 0 CAADLO CNS(=O)(=O)CC[N@@H+]1C[C@H](C)O[C@H](CO)C1 ZINC000621285384 374069006 /nfs/dbraw/zinc/06/90/06/374069006.db2.gz XGKKZQCOFGAYOL-IUCAKERBSA-N 1 2 252.336 -1.383 20 0 CAADLO CNS(=O)(=O)CC[N@H+]1C[C@H](C)O[C@H](CO)C1 ZINC000621285384 374069013 /nfs/dbraw/zinc/06/90/13/374069013.db2.gz XGKKZQCOFGAYOL-IUCAKERBSA-N 1 2 252.336 -1.383 20 0 CAADLO CNS(=O)(=O)CC[N@H+](C)CCN1CCCS1(=O)=O ZINC000621260779 374069191 /nfs/dbraw/zinc/06/91/91/374069191.db2.gz POOJSXWEAJNGKT-UHFFFAOYSA-N 1 2 299.418 -1.497 20 0 CAADLO CNS(=O)(=O)CC[N@@H+](C)CCN1CCCS1(=O)=O ZINC000621260779 374069199 /nfs/dbraw/zinc/06/91/99/374069199.db2.gz POOJSXWEAJNGKT-UHFFFAOYSA-N 1 2 299.418 -1.497 20 0 CAADLO CNS(=O)(=O)CC[N@@H+]1CCO[C@@H](COC)C1 ZINC000621259162 374069230 /nfs/dbraw/zinc/06/92/30/374069230.db2.gz MUIQBMARJDSNNG-SECBINFHSA-N 1 2 252.336 -1.117 20 0 CAADLO CNS(=O)(=O)CC[N@H+]1CCO[C@@H](COC)C1 ZINC000621259162 374069236 /nfs/dbraw/zinc/06/92/36/374069236.db2.gz MUIQBMARJDSNNG-SECBINFHSA-N 1 2 252.336 -1.117 20 0 CAADLO CNS(=O)(=O)CC[N@@H+]1CCSC[C@H]1CO ZINC000621271331 374069571 /nfs/dbraw/zinc/06/95/71/374069571.db2.gz DGOBDPVKWGBIDM-MRVPVSSYSA-N 1 2 254.377 -1.055 20 0 CAADLO CNS(=O)(=O)CC[N@H+]1CCSC[C@H]1CO ZINC000621271331 374069576 /nfs/dbraw/zinc/06/95/76/374069576.db2.gz DGOBDPVKWGBIDM-MRVPVSSYSA-N 1 2 254.377 -1.055 20 0 CAADLO CNS(=O)(=O)CC[N@@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000621258423 374069851 /nfs/dbraw/zinc/06/98/51/374069851.db2.gz KNBOHIANGVAJGR-QMMMGPOBSA-N 1 2 285.391 -1.841 20 0 CAADLO CNS(=O)(=O)CC[N@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000621258423 374069858 /nfs/dbraw/zinc/06/98/58/374069858.db2.gz KNBOHIANGVAJGR-QMMMGPOBSA-N 1 2 285.391 -1.841 20 0 CAADLO CC[N@H+](CC(=O)N(C)C)CC(=O)N1CCNC(=O)C1 ZINC000076649447 374072230 /nfs/dbraw/zinc/07/22/30/374072230.db2.gz DREBBKXZKOZYAB-UHFFFAOYSA-N 1 2 270.333 -1.645 20 0 CAADLO CC[N@@H+](CC(=O)N(C)C)CC(=O)N1CCNC(=O)C1 ZINC000076649447 374072239 /nfs/dbraw/zinc/07/22/39/374072239.db2.gz DREBBKXZKOZYAB-UHFFFAOYSA-N 1 2 270.333 -1.645 20 0 CAADLO O=C1CN(C/C=C\C[N@@H+]2CCNC(=O)C2)CCN1 ZINC000255061396 374074446 /nfs/dbraw/zinc/07/44/46/374074446.db2.gz YVNRVUYGIPVXGX-UPHRSURJSA-N 1 2 252.318 -1.594 20 0 CAADLO O=C1CN(C/C=C\C[N@H+]2CCNC(=O)C2)CCN1 ZINC000255061396 374074456 /nfs/dbraw/zinc/07/44/56/374074456.db2.gz YVNRVUYGIPVXGX-UPHRSURJSA-N 1 2 252.318 -1.594 20 0 CAADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)N[C@H]1CCNC1=O ZINC000624320607 374111735 /nfs/dbraw/zinc/11/17/35/374111735.db2.gz ZLZCMBBOHSILPN-IUCAKERBSA-N 1 2 256.306 -1.495 20 0 CAADLO C[N@H+]1CCOC[C@@H]1CNC(=O)N[C@H]1CCNC1=O ZINC000624320607 374111744 /nfs/dbraw/zinc/11/17/44/374111744.db2.gz ZLZCMBBOHSILPN-IUCAKERBSA-N 1 2 256.306 -1.495 20 0 CAADLO C[C@@H](O)CNc1cc(N2C[C@H](O)[C@@H](O)C2)nc[nH+]1 ZINC000624479848 374113803 /nfs/dbraw/zinc/11/38/03/374113803.db2.gz BGPVLUGUNZVCFH-VGMNWLOBSA-N 1 2 254.290 -1.189 20 0 CAADLO C[C@@H](O)CNc1cc(N2C[C@H](O)[C@@H](O)C2)[nH+]cn1 ZINC000624479848 374113809 /nfs/dbraw/zinc/11/38/09/374113809.db2.gz BGPVLUGUNZVCFH-VGMNWLOBSA-N 1 2 254.290 -1.189 20 0 CAADLO C[C@H]1CC[C@@H](Nc2nc(N)nc(N)[nH+]2)CS1(=O)=O ZINC000624397363 374114294 /nfs/dbraw/zinc/11/42/94/374114294.db2.gz YIRBUXFSTFQZSV-NTSWFWBYSA-N 1 2 272.334 -1.504 20 0 CAADLO C[C@H]1CC[C@H](Nc2nc(N)nc(N)[nH+]2)CS1(=O)=O ZINC000624397366 374114410 /nfs/dbraw/zinc/11/44/10/374114410.db2.gz YIRBUXFSTFQZSV-WDSKDSINSA-N 1 2 272.334 -1.504 20 0 CAADLO CNC(=O)CCN(C)S(=O)(=O)C[C@H]1C[N@H+](C)CCO1 ZINC000631894601 374120984 /nfs/dbraw/zinc/12/09/84/374120984.db2.gz YIVKFSNSXUKMJK-SNVBAGLBSA-N 1 2 293.389 -1.285 20 0 CAADLO CNC(=O)CCN(C)S(=O)(=O)C[C@H]1C[N@@H+](C)CCO1 ZINC000631894601 374120990 /nfs/dbraw/zinc/12/09/90/374120990.db2.gz YIVKFSNSXUKMJK-SNVBAGLBSA-N 1 2 293.389 -1.285 20 0 CAADLO Cn1cnn(CC(=O)NC(C)(C)C[NH+]2CCOCC2)c1=O ZINC000622124213 374084594 /nfs/dbraw/zinc/08/45/94/374084594.db2.gz DAMWNWCRDWMEFO-UHFFFAOYSA-N 1 2 297.359 -1.191 20 0 CAADLO CC(C)(C(=O)N1CCN(CC(N)=O)C(=O)C1)c1c[nH+]c[nH]1 ZINC000622100268 374085249 /nfs/dbraw/zinc/08/52/49/374085249.db2.gz OFFPWIXKNSZGCR-UHFFFAOYSA-N 1 2 293.327 -1.157 20 0 CAADLO COCC[NH+]1CCN(C(=O)[C@@]2(O)CCOC2)CC1 ZINC000622369550 374086934 /nfs/dbraw/zinc/08/69/34/374086934.db2.gz RBIIVPKLLMPOPY-GFCCVEGCSA-N 1 2 258.318 -1.072 20 0 CAADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)[C@]1(O)CCOC1 ZINC000622418802 374087290 /nfs/dbraw/zinc/08/72/90/374087290.db2.gz UFQUGTQBPUXHEN-YPMHNXCESA-N 1 2 288.344 -1.711 20 0 CAADLO O=C(N1CC[NH+](CCn2cncn2)CC1)[C@]1(O)CCOC1 ZINC000622385854 374087820 /nfs/dbraw/zinc/08/78/20/374087820.db2.gz FPNWRHCJLICBOG-ZDUSSCGKSA-N 1 2 295.343 -1.426 20 0 CAADLO CNS(=O)(=O)CCNC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000623918808 374094314 /nfs/dbraw/zinc/09/43/14/374094314.db2.gz BVOQAHJPNSMMSO-SECBINFHSA-N 1 2 294.377 -1.835 20 0 CAADLO CNS(=O)(=O)CCNC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000623918808 374094319 /nfs/dbraw/zinc/09/43/19/374094319.db2.gz BVOQAHJPNSMMSO-SECBINFHSA-N 1 2 294.377 -1.835 20 0 CAADLO O=C(c1cc(=O)[nH]cn1)N1CC[NH+](CCO)CC1 ZINC000623936212 374096374 /nfs/dbraw/zinc/09/63/74/374096374.db2.gz KNNXLHBDPCSJQK-UHFFFAOYSA-N 1 2 252.274 -1.068 20 0 CAADLO Cn1nnc(CNC(=O)NC[C@H]2COCC[N@@H+]2C)n1 ZINC000623959289 374097993 /nfs/dbraw/zinc/09/79/93/374097993.db2.gz MIFFKOZYYPNWNF-QMMMGPOBSA-N 1 2 269.309 -1.660 20 0 CAADLO Cn1nnc(CNC(=O)NC[C@H]2COCC[N@H+]2C)n1 ZINC000623959289 374097998 /nfs/dbraw/zinc/09/79/98/374097998.db2.gz MIFFKOZYYPNWNF-QMMMGPOBSA-N 1 2 269.309 -1.660 20 0 CAADLO CCS(=O)(=O)C[C@H](C)Nc1nc(N)nc(N)[nH+]1 ZINC000623971484 374098963 /nfs/dbraw/zinc/09/89/63/374098963.db2.gz XXGWKBLQVHCQIE-YFKPBYRVSA-N 1 2 260.323 -1.646 20 0 CAADLO Nc1nc(N)[nH+]c(NC[C@H]2CCCS2(=O)=O)n1 ZINC000624043289 374100468 /nfs/dbraw/zinc/10/04/68/374100468.db2.gz UJLRBYQLGKFESM-RXMQYKEDSA-N 1 2 258.307 -1.892 20 0 CAADLO Nc1nc(N)[nH+]c(NC[C@@H]2CCCCS2(=O)=O)n1 ZINC000624097527 374104577 /nfs/dbraw/zinc/10/45/77/374104577.db2.gz YBMRXRFTMSYTHQ-LURJTMIESA-N 1 2 272.334 -1.502 20 0 CAADLO C[C@H](C(=O)NC1CC1)[NH+]1CCN(Cc2nnnn2C)CC1 ZINC000624186057 374107033 /nfs/dbraw/zinc/10/70/33/374107033.db2.gz FWQCJYJXOJNXDY-SNVBAGLBSA-N 1 2 293.375 -1.005 20 0 CAADLO CN(C)C(=O)C[NH+]1CCN(Cc2nnnn2C)CC1 ZINC000624184361 374108906 /nfs/dbraw/zinc/10/89/06/374108906.db2.gz IEUHVKHNHVOQNY-UHFFFAOYSA-N 1 2 267.337 -1.584 20 0 CAADLO Cc1nc(N2CCN3C(=O)C(=O)NC[C@@H]3C2)cc[nH+]1 ZINC000131170102 374109050 /nfs/dbraw/zinc/10/90/50/374109050.db2.gz YPJIGZDLBZORED-SECBINFHSA-N 1 2 261.285 -1.068 20 0 CAADLO Cn1c(=O)[nH]cc1C(=O)N[C@@H](CO)C[NH+]1CCOCC1 ZINC000632854716 374180191 /nfs/dbraw/zinc/18/01/91/374180191.db2.gz KFBAZBITFZYRGL-SECBINFHSA-N 1 2 284.316 -1.451 20 0 CAADLO O=C(Cc1nnc[nH]1)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000632891058 374180493 /nfs/dbraw/zinc/18/04/93/374180493.db2.gz WZQYXFCIHNKOPS-SNVBAGLBSA-N 1 2 264.333 -1.147 20 0 CAADLO O=C(Cc1nnc[nH]1)NC[C@@H]1C[N@H+]2CCN1CCC2 ZINC000632891058 374180501 /nfs/dbraw/zinc/18/05/01/374180501.db2.gz WZQYXFCIHNKOPS-SNVBAGLBSA-N 1 2 264.333 -1.147 20 0 CAADLO O=C(NC[C@@H]1C[N@@H+]2CCN1CCC2)C1CS(=O)(=O)C1 ZINC000632890167 374180527 /nfs/dbraw/zinc/18/05/27/374180527.db2.gz CZSJNEPFJOAZRP-LLVKDONJSA-N 1 2 287.385 -1.463 20 0 CAADLO O=C(NC[C@@H]1C[N@H+]2CCN1CCC2)C1CS(=O)(=O)C1 ZINC000632890167 374180530 /nfs/dbraw/zinc/18/05/30/374180530.db2.gz CZSJNEPFJOAZRP-LLVKDONJSA-N 1 2 287.385 -1.463 20 0 CAADLO C[NH+](C)C[C@H](CO)NC(=O)C1CS(=O)(=O)C1 ZINC000633073981 374182357 /nfs/dbraw/zinc/18/23/57/374182357.db2.gz ZOWBQYKYXVCMMA-MRVPVSSYSA-N 1 2 250.320 -1.930 20 0 CAADLO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CC(=O)N1CCNC(=O)C1 ZINC000029598942 374138596 /nfs/dbraw/zinc/13/85/96/374138596.db2.gz CPHDHFXBRROORC-JTQLQIEISA-N 1 2 282.344 -1.503 20 0 CAADLO CN(C)C(=O)[C@@H]1CCC[N@H+]1CC(=O)N1CCNC(=O)C1 ZINC000029598942 374138603 /nfs/dbraw/zinc/13/86/03/374138603.db2.gz CPHDHFXBRROORC-JTQLQIEISA-N 1 2 282.344 -1.503 20 0 CAADLO O=C(Nc1ccn2cc[nH+]c2c1)C(=O)N1C[C@H](O)[C@@H](O)C1 ZINC000627737676 374141789 /nfs/dbraw/zinc/14/17/89/374141789.db2.gz ISZVAIUJKKSBCM-UWVGGRQHSA-N 1 2 290.279 -1.163 20 0 CAADLO O=C(CNC(=O)C1CSC1)NCC[NH+]1CCOCC1 ZINC000631231660 374146046 /nfs/dbraw/zinc/14/60/46/374146046.db2.gz RFHLEBXTWAIISJ-UHFFFAOYSA-N 1 2 287.385 -1.086 20 0 CAADLO CNC(=O)C(=O)N1CC[NH+](CCc2cnccn2)CC1 ZINC000631518993 374146250 /nfs/dbraw/zinc/14/62/50/374146250.db2.gz NFBIAVLHNQFBJJ-UHFFFAOYSA-N 1 2 277.328 -1.091 20 0 CAADLO OC[C@@H](C[NH+]1CCOCC1)N=c1ncnc2[nH][nH]cc1-2 ZINC000631307590 374147163 /nfs/dbraw/zinc/14/71/63/374147163.db2.gz SHOFHRKUGWWVMD-SECBINFHSA-N 1 2 278.316 -1.169 20 0 CAADLO CN(C)C(=O)CN(C)S(=O)(=O)C[C@H]1C[N@H+](C)CCO1 ZINC000631663914 374148365 /nfs/dbraw/zinc/14/83/65/374148365.db2.gz ZRYUSSQWIAPQEL-SNVBAGLBSA-N 1 2 293.389 -1.333 20 0 CAADLO CN(C)C(=O)CN(C)S(=O)(=O)C[C@H]1C[N@@H+](C)CCO1 ZINC000631663914 374148368 /nfs/dbraw/zinc/14/83/68/374148368.db2.gz ZRYUSSQWIAPQEL-SNVBAGLBSA-N 1 2 293.389 -1.333 20 0 CAADLO Cn1cc(S(=O)(=O)N2CC[NH+](C)CC2)c(=O)[nH]c1=O ZINC000631635603 374148684 /nfs/dbraw/zinc/14/86/84/374148684.db2.gz OAFMHQMZURNTHZ-UHFFFAOYSA-N 1 2 288.329 -1.578 20 0 CAADLO C[N@@H+]1CCO[C@H](CS(=O)(=O)N[C@H]2CCCNC2=O)C1 ZINC000631847758 374148697 /nfs/dbraw/zinc/14/86/97/374148697.db2.gz BNZUOKXPTQKHDD-UWVGGRQHSA-N 1 2 291.373 -1.485 20 0 CAADLO C[N@H+]1CCO[C@H](CS(=O)(=O)N[C@H]2CCCNC2=O)C1 ZINC000631847758 374148702 /nfs/dbraw/zinc/14/87/02/374148702.db2.gz BNZUOKXPTQKHDD-UWVGGRQHSA-N 1 2 291.373 -1.485 20 0 CAADLO CC(C)NC(=O)CNS(=O)(=O)C[C@H]1C[N@H+](C)CCO1 ZINC000631680491 374148864 /nfs/dbraw/zinc/14/88/64/374148864.db2.gz OYOBMMHCVYVLEC-SNVBAGLBSA-N 1 2 293.389 -1.239 20 0 CAADLO CC(C)NC(=O)CNS(=O)(=O)C[C@H]1C[N@@H+](C)CCO1 ZINC000631680491 374148870 /nfs/dbraw/zinc/14/88/70/374148870.db2.gz OYOBMMHCVYVLEC-SNVBAGLBSA-N 1 2 293.389 -1.239 20 0 CAADLO COCCOCCNS(=O)(=O)C[C@@H]1C[N@H+](C)CCO1 ZINC000631796809 374148926 /nfs/dbraw/zinc/14/89/26/374148926.db2.gz BSEMAZLEGOHNEX-NSHDSACASA-N 1 2 296.389 -1.101 20 0 CAADLO COCCOCCNS(=O)(=O)C[C@@H]1C[N@@H+](C)CCO1 ZINC000631796809 374148933 /nfs/dbraw/zinc/14/89/33/374148933.db2.gz BSEMAZLEGOHNEX-NSHDSACASA-N 1 2 296.389 -1.101 20 0 CAADLO CC(=O)NCCNS(=O)(=O)C[C@H]1C[N@H+](C)CCO1 ZINC000631655677 374149012 /nfs/dbraw/zinc/14/90/12/374149012.db2.gz VNLBEDKQZCPMDD-SNVBAGLBSA-N 1 2 279.362 -1.628 20 0 CAADLO CC(=O)NCCNS(=O)(=O)C[C@H]1C[N@@H+](C)CCO1 ZINC000631655677 374149019 /nfs/dbraw/zinc/14/90/19/374149019.db2.gz VNLBEDKQZCPMDD-SNVBAGLBSA-N 1 2 279.362 -1.628 20 0 CAADLO CCNC(=O)[C@@H](C)NS(=O)(=O)C[C@H]1C[N@H+](C)CCO1 ZINC000631673597 374149335 /nfs/dbraw/zinc/14/93/35/374149335.db2.gz ITRLLYSIRHYAIE-NXEZZACHSA-N 1 2 293.389 -1.239 20 0 CAADLO CCNC(=O)[C@@H](C)NS(=O)(=O)C[C@H]1C[N@@H+](C)CCO1 ZINC000631673597 374149345 /nfs/dbraw/zinc/14/93/45/374149345.db2.gz ITRLLYSIRHYAIE-NXEZZACHSA-N 1 2 293.389 -1.239 20 0 CAADLO C[N@@H+]1CCO[C@H](CS(=O)(=O)N2CCOCC2)C1 ZINC000631638902 374149524 /nfs/dbraw/zinc/14/95/24/374149524.db2.gz HGJBCFLCQRPMKG-JTQLQIEISA-N 1 2 264.347 -1.021 20 0 CAADLO C[N@H+]1CCO[C@H](CS(=O)(=O)N2CCOCC2)C1 ZINC000631638902 374149531 /nfs/dbraw/zinc/14/95/31/374149531.db2.gz HGJBCFLCQRPMKG-JTQLQIEISA-N 1 2 264.347 -1.021 20 0 CAADLO CNC(=O)[C@@H](C)NS(=O)(=O)C[C@@H]1C[N@H+](C)CCO1 ZINC000631781206 374149613 /nfs/dbraw/zinc/14/96/13/374149613.db2.gz WTNDUQSQOWFOGS-BDAKNGLRSA-N 1 2 279.362 -1.629 20 0 CAADLO CNC(=O)[C@@H](C)NS(=O)(=O)C[C@@H]1C[N@@H+](C)CCO1 ZINC000631781206 374149616 /nfs/dbraw/zinc/14/96/16/374149616.db2.gz WTNDUQSQOWFOGS-BDAKNGLRSA-N 1 2 279.362 -1.629 20 0 CAADLO CCNC(=O)[C@H](C)NS(=O)(=O)C[C@@H]1C[N@H+](C)CCO1 ZINC000631673622 374149763 /nfs/dbraw/zinc/14/97/63/374149763.db2.gz ITRLLYSIRHYAIE-UWVGGRQHSA-N 1 2 293.389 -1.239 20 0 CAADLO CCNC(=O)[C@H](C)NS(=O)(=O)C[C@@H]1C[N@@H+](C)CCO1 ZINC000631673622 374149772 /nfs/dbraw/zinc/14/97/72/374149772.db2.gz ITRLLYSIRHYAIE-UWVGGRQHSA-N 1 2 293.389 -1.239 20 0 CAADLO C[C@@H]1C(=O)NCCN1S(=O)(=O)C[C@H]1C[N@H+](C)CCO1 ZINC000631900426 374151061 /nfs/dbraw/zinc/15/10/61/374151061.db2.gz SRTOBSFOWGRMMB-NXEZZACHSA-N 1 2 291.373 -1.533 20 0 CAADLO C[C@@H]1C(=O)NCCN1S(=O)(=O)C[C@H]1C[N@@H+](C)CCO1 ZINC000631900426 374151064 /nfs/dbraw/zinc/15/10/64/374151064.db2.gz SRTOBSFOWGRMMB-NXEZZACHSA-N 1 2 291.373 -1.533 20 0 CAADLO CN1C[C@@H](NS(=O)(=O)C[C@H]2C[N@H+](C)CCO2)CC1=O ZINC000631871011 374151705 /nfs/dbraw/zinc/15/17/05/374151705.db2.gz FZVHEDURZBCVCM-VHSXEESVSA-N 1 2 291.373 -1.533 20 0 CAADLO CN1C[C@@H](NS(=O)(=O)C[C@H]2C[N@@H+](C)CCO2)CC1=O ZINC000631871011 374151709 /nfs/dbraw/zinc/15/17/09/374151709.db2.gz FZVHEDURZBCVCM-VHSXEESVSA-N 1 2 291.373 -1.533 20 0 CAADLO CN1C[C@H](NS(=O)(=O)C[C@H]2C[N@H+](C)CCO2)CC1=O ZINC000631871009 374152158 /nfs/dbraw/zinc/15/21/58/374152158.db2.gz FZVHEDURZBCVCM-NXEZZACHSA-N 1 2 291.373 -1.533 20 0 CAADLO CN1C[C@H](NS(=O)(=O)C[C@H]2C[N@@H+](C)CCO2)CC1=O ZINC000631871009 374152169 /nfs/dbraw/zinc/15/21/69/374152169.db2.gz FZVHEDURZBCVCM-NXEZZACHSA-N 1 2 291.373 -1.533 20 0 CAADLO CN1CC[C@H](NS(=O)(=O)C[C@H]2C[N@H+](C)CCO2)C1=O ZINC000631997537 374158099 /nfs/dbraw/zinc/15/80/99/374158099.db2.gz CNZPRPOUJNGOGA-ZJUUUORDSA-N 1 2 291.373 -1.533 20 0 CAADLO CN1CC[C@H](NS(=O)(=O)C[C@H]2C[N@@H+](C)CCO2)C1=O ZINC000631997537 374158105 /nfs/dbraw/zinc/15/81/05/374158105.db2.gz CNZPRPOUJNGOGA-ZJUUUORDSA-N 1 2 291.373 -1.533 20 0 CAADLO C[C@H](O)CNS(=O)(=O)C[C@@H]1C[N@H+](C)CCO1 ZINC000631999918 374159119 /nfs/dbraw/zinc/15/91/19/374159119.db2.gz WAAIZZSFNYZFKH-IUCAKERBSA-N 1 2 252.336 -1.383 20 0 CAADLO C[C@H](O)CNS(=O)(=O)C[C@@H]1C[N@@H+](C)CCO1 ZINC000631999918 374159126 /nfs/dbraw/zinc/15/91/26/374159126.db2.gz WAAIZZSFNYZFKH-IUCAKERBSA-N 1 2 252.336 -1.383 20 0 CAADLO C[C@H](NS(=O)(=O)c1nncn1C)[C@@H]1C[N@H+](C)CCO1 ZINC000632124010 374160271 /nfs/dbraw/zinc/16/02/71/374160271.db2.gz OWJQDPCDJDBQCB-IUCAKERBSA-N 1 2 289.361 -1.188 20 0 CAADLO C[C@H](NS(=O)(=O)c1nncn1C)[C@@H]1C[N@@H+](C)CCO1 ZINC000632124010 374160278 /nfs/dbraw/zinc/16/02/78/374160278.db2.gz OWJQDPCDJDBQCB-IUCAKERBSA-N 1 2 289.361 -1.188 20 0 CAADLO C[C@@H](CO)N(C)S(=O)(=O)C[C@@H]1C[N@H+](C)CCO1 ZINC000632139564 374160297 /nfs/dbraw/zinc/16/02/97/374160297.db2.gz SVBXRXZDUNDMGI-UWVGGRQHSA-N 1 2 266.363 -1.041 20 0 CAADLO C[C@@H](CO)N(C)S(=O)(=O)C[C@@H]1C[N@@H+](C)CCO1 ZINC000632139564 374160301 /nfs/dbraw/zinc/16/03/01/374160301.db2.gz SVBXRXZDUNDMGI-UWVGGRQHSA-N 1 2 266.363 -1.041 20 0 CAADLO C[N@@H+]1CCO[C@H](CS(=O)(=O)N2CC[C@@H](O)C2)C1 ZINC000632007876 374160313 /nfs/dbraw/zinc/16/03/13/374160313.db2.gz ZDHPTNDRIUXRDJ-ZJUUUORDSA-N 1 2 264.347 -1.287 20 0 CAADLO C[N@H+]1CCO[C@H](CS(=O)(=O)N2CC[C@@H](O)C2)C1 ZINC000632007876 374160319 /nfs/dbraw/zinc/16/03/19/374160319.db2.gz ZDHPTNDRIUXRDJ-ZJUUUORDSA-N 1 2 264.347 -1.287 20 0 CAADLO CC(=O)N1CCC[C@@H]1C(=O)NCCC[N@@H+]1CCNC(=O)C1 ZINC000632075156 374160441 /nfs/dbraw/zinc/16/04/41/374160441.db2.gz KEVZVIBOVXTEAR-GFCCVEGCSA-N 1 2 296.371 -1.065 20 0 CAADLO CC(=O)N1CCC[C@@H]1C(=O)NCCC[N@H+]1CCNC(=O)C1 ZINC000632075156 374160445 /nfs/dbraw/zinc/16/04/45/374160445.db2.gz KEVZVIBOVXTEAR-GFCCVEGCSA-N 1 2 296.371 -1.065 20 0 CAADLO C[C@H](CO)NS(=O)(=O)C[C@H]1C[N@H+](C)CCO1 ZINC000632040240 374160526 /nfs/dbraw/zinc/16/05/26/374160526.db2.gz AKRGKHIYRFYLNC-RKDXNWHRSA-N 1 2 252.336 -1.383 20 0 CAADLO C[C@H](CO)NS(=O)(=O)C[C@H]1C[N@@H+](C)CCO1 ZINC000632040240 374160532 /nfs/dbraw/zinc/16/05/32/374160532.db2.gz AKRGKHIYRFYLNC-RKDXNWHRSA-N 1 2 252.336 -1.383 20 0 CAADLO C[N@@H+]1CCO[C@H](CS(=O)(=O)N2C[C@H](O)C[C@H](O)C2)C1 ZINC000632058788 374160725 /nfs/dbraw/zinc/16/07/25/374160725.db2.gz ROSPBWNXYPPYJT-AXFHLTTASA-N 1 2 294.373 -1.926 20 0 CAADLO C[N@H+]1CCO[C@H](CS(=O)(=O)N2C[C@H](O)C[C@H](O)C2)C1 ZINC000632058788 374160730 /nfs/dbraw/zinc/16/07/30/374160730.db2.gz ROSPBWNXYPPYJT-AXFHLTTASA-N 1 2 294.373 -1.926 20 0 CAADLO CCN(CCO)S(=O)(=O)C[C@H]1C[N@H+](C)CCO1 ZINC000631999822 374161366 /nfs/dbraw/zinc/16/13/66/374161366.db2.gz RYRWHESRHRFPRY-SNVBAGLBSA-N 1 2 266.363 -1.039 20 0 CAADLO CCN(CCO)S(=O)(=O)C[C@H]1C[N@@H+](C)CCO1 ZINC000631999822 374161372 /nfs/dbraw/zinc/16/13/72/374161372.db2.gz RYRWHESRHRFPRY-SNVBAGLBSA-N 1 2 266.363 -1.039 20 0 CAADLO C[C@@H](NS(=O)(=O)C[C@H]1C[N@H+](C)CCO1)C(=O)N(C)C ZINC000632074663 374161607 /nfs/dbraw/zinc/16/16/07/374161607.db2.gz CQYORKDEHGRYQY-NXEZZACHSA-N 1 2 293.389 -1.287 20 0 CAADLO C[C@@H](NS(=O)(=O)C[C@H]1C[N@@H+](C)CCO1)C(=O)N(C)C ZINC000632074663 374161616 /nfs/dbraw/zinc/16/16/16/374161616.db2.gz CQYORKDEHGRYQY-NXEZZACHSA-N 1 2 293.389 -1.287 20 0 CAADLO C[C@H](CO)NS(=O)(=O)C[C@@H]1C[N@H+](C)CCO1 ZINC000632040237 374161695 /nfs/dbraw/zinc/16/16/95/374161695.db2.gz AKRGKHIYRFYLNC-BDAKNGLRSA-N 1 2 252.336 -1.383 20 0 CAADLO C[C@H](CO)NS(=O)(=O)C[C@@H]1C[N@@H+](C)CCO1 ZINC000632040237 374161703 /nfs/dbraw/zinc/16/17/03/374161703.db2.gz AKRGKHIYRFYLNC-BDAKNGLRSA-N 1 2 252.336 -1.383 20 0 CAADLO C[C@@H](CO)N(C)S(=O)(=O)C[C@H]1C[N@H+](C)CCO1 ZINC000632139565 374161793 /nfs/dbraw/zinc/16/17/93/374161793.db2.gz SVBXRXZDUNDMGI-VHSXEESVSA-N 1 2 266.363 -1.041 20 0 CAADLO C[C@@H](CO)N(C)S(=O)(=O)C[C@H]1C[N@@H+](C)CCO1 ZINC000632139565 374161800 /nfs/dbraw/zinc/16/18/00/374161800.db2.gz SVBXRXZDUNDMGI-VHSXEESVSA-N 1 2 266.363 -1.041 20 0 CAADLO CN([C@@H]1CCNC1=O)S(=O)(=O)C[C@H]1C[N@H+](C)CCO1 ZINC000632152127 374163350 /nfs/dbraw/zinc/16/33/50/374163350.db2.gz BQSMQSSZQSTDBX-NXEZZACHSA-N 1 2 291.373 -1.533 20 0 CAADLO CN([C@@H]1CCNC1=O)S(=O)(=O)C[C@H]1C[N@@H+](C)CCO1 ZINC000632152127 374163357 /nfs/dbraw/zinc/16/33/57/374163357.db2.gz BQSMQSSZQSTDBX-NXEZZACHSA-N 1 2 291.373 -1.533 20 0 CAADLO C[N@@H+]1CCO[C@H](CS(=O)(=O)NC[C@@]2(O)CCOC2)C1 ZINC000632142597 374163454 /nfs/dbraw/zinc/16/34/54/374163454.db2.gz IKQSBRDDLQCONL-QWRGUYRKSA-N 1 2 294.373 -1.612 20 0 CAADLO C[N@H+]1CCO[C@H](CS(=O)(=O)NC[C@@]2(O)CCOC2)C1 ZINC000632142597 374163461 /nfs/dbraw/zinc/16/34/61/374163461.db2.gz IKQSBRDDLQCONL-QWRGUYRKSA-N 1 2 294.373 -1.612 20 0 CAADLO CN1CN(S(=O)(=O)C[C@@H]2C[N@H+](C)CCO2)CC1=O ZINC000632183089 374163481 /nfs/dbraw/zinc/16/34/81/374163481.db2.gz GJMXWYAWHAUVTP-VIFPVBQESA-N 1 2 277.346 -1.622 20 0 CAADLO CN1CN(S(=O)(=O)C[C@@H]2C[N@@H+](C)CCO2)CC1=O ZINC000632183089 374163488 /nfs/dbraw/zinc/16/34/88/374163488.db2.gz GJMXWYAWHAUVTP-VIFPVBQESA-N 1 2 277.346 -1.622 20 0 CAADLO C[N@@H+]1CCO[C@@H](CS(=O)(=O)N(CCO)CCO)C1 ZINC000632168460 374163592 /nfs/dbraw/zinc/16/35/92/374163592.db2.gz OHURWWCSDGIVMO-SNVBAGLBSA-N 1 2 282.362 -2.067 20 0 CAADLO C[N@H+]1CCO[C@@H](CS(=O)(=O)N(CCO)CCO)C1 ZINC000632168460 374163597 /nfs/dbraw/zinc/16/35/97/374163597.db2.gz OHURWWCSDGIVMO-SNVBAGLBSA-N 1 2 282.362 -2.067 20 0 CAADLO C[N@@H+]1CCO[C@@H](CS(=O)(=O)N2CC[C@H](CO)C2)C1 ZINC000632181432 374163943 /nfs/dbraw/zinc/16/39/43/374163943.db2.gz ZJWRBHNSYFZPAP-WDEREUQCSA-N 1 2 278.374 -1.039 20 0 CAADLO C[N@H+]1CCO[C@@H](CS(=O)(=O)N2CC[C@H](CO)C2)C1 ZINC000632181432 374163952 /nfs/dbraw/zinc/16/39/52/374163952.db2.gz ZJWRBHNSYFZPAP-WDEREUQCSA-N 1 2 278.374 -1.039 20 0 CAADLO C[C@@H]1CN(S(=O)(=O)C[C@@H]2C[N@H+](C)CCO2)C[C@H]1O ZINC000632168886 374164071 /nfs/dbraw/zinc/16/40/71/374164071.db2.gz COTVVFVKMHBDSF-OUAUKWLOSA-N 1 2 278.374 -1.041 20 0 CAADLO C[C@@H]1CN(S(=O)(=O)C[C@@H]2C[N@@H+](C)CCO2)C[C@H]1O ZINC000632168886 374164078 /nfs/dbraw/zinc/16/40/78/374164078.db2.gz COTVVFVKMHBDSF-OUAUKWLOSA-N 1 2 278.374 -1.041 20 0 CAADLO COC[C@@H](CNS(=O)(=O)C[C@@H]1C[N@H+](C)CCO1)OC ZINC000632196511 374164099 /nfs/dbraw/zinc/16/40/99/374164099.db2.gz BDQHXAHCMSRKPW-MNOVXSKESA-N 1 2 296.389 -1.102 20 0 CAADLO COC[C@@H](CNS(=O)(=O)C[C@@H]1C[N@@H+](C)CCO1)OC ZINC000632196511 374164110 /nfs/dbraw/zinc/16/41/10/374164110.db2.gz BDQHXAHCMSRKPW-MNOVXSKESA-N 1 2 296.389 -1.102 20 0 CAADLO COC[C@@H](CCO)NS(=O)(=O)C[C@H]1C[N@H+](C)CCO1 ZINC000632149162 374164415 /nfs/dbraw/zinc/16/44/15/374164415.db2.gz NYRGVZVAYGYMHE-GHMZBOCLSA-N 1 2 296.389 -1.366 20 0 CAADLO COC[C@@H](CCO)NS(=O)(=O)C[C@H]1C[N@@H+](C)CCO1 ZINC000632149162 374164425 /nfs/dbraw/zinc/16/44/25/374164425.db2.gz NYRGVZVAYGYMHE-GHMZBOCLSA-N 1 2 296.389 -1.366 20 0 CAADLO C[C@H](O)CN(C)S(=O)(=O)C[C@H]1C[N@H+](C)CCO1 ZINC000632180512 374164544 /nfs/dbraw/zinc/16/45/44/374164544.db2.gz AUIWZRCYIJRWGK-VHSXEESVSA-N 1 2 266.363 -1.041 20 0 CAADLO C[C@H](O)CN(C)S(=O)(=O)C[C@H]1C[N@@H+](C)CCO1 ZINC000632180512 374164552 /nfs/dbraw/zinc/16/45/52/374164552.db2.gz AUIWZRCYIJRWGK-VHSXEESVSA-N 1 2 266.363 -1.041 20 0 CAADLO C[N@@H+]1CCO[C@@H](CS(=O)(=O)N2CC(CO)C2)C1 ZINC000632202940 374165546 /nfs/dbraw/zinc/16/55/46/374165546.db2.gz ONHVOIDZXJPGEZ-SNVBAGLBSA-N 1 2 264.347 -1.429 20 0 CAADLO C[N@H+]1CCO[C@@H](CS(=O)(=O)N2CC(CO)C2)C1 ZINC000632202940 374165550 /nfs/dbraw/zinc/16/55/50/374165550.db2.gz ONHVOIDZXJPGEZ-SNVBAGLBSA-N 1 2 264.347 -1.429 20 0 CAADLO CCN(CC(N)=O)S(=O)(=O)C[C@H]1C[N@H+](C)CCO1 ZINC000632268953 374165669 /nfs/dbraw/zinc/16/56/69/374165669.db2.gz UZSKWLJBXZXLGN-SECBINFHSA-N 1 2 279.362 -1.546 20 0 CAADLO CCN(CC(N)=O)S(=O)(=O)C[C@H]1C[N@@H+](C)CCO1 ZINC000632268953 374165671 /nfs/dbraw/zinc/16/56/71/374165671.db2.gz UZSKWLJBXZXLGN-SECBINFHSA-N 1 2 279.362 -1.546 20 0 CAADLO CCN(CC(N)=O)S(=O)(=O)C[C@@H]1C[N@H+](C)CCO1 ZINC000632268954 374165792 /nfs/dbraw/zinc/16/57/92/374165792.db2.gz UZSKWLJBXZXLGN-VIFPVBQESA-N 1 2 279.362 -1.546 20 0 CAADLO CCN(CC(N)=O)S(=O)(=O)C[C@@H]1C[N@@H+](C)CCO1 ZINC000632268954 374165797 /nfs/dbraw/zinc/16/57/97/374165797.db2.gz UZSKWLJBXZXLGN-VIFPVBQESA-N 1 2 279.362 -1.546 20 0 CAADLO C[N@@H+]1CCO[C@@H](CS(=O)(=O)NCC(F)(F)CO)C1 ZINC000632225053 374165851 /nfs/dbraw/zinc/16/58/51/374165851.db2.gz XUASKFAITKXOCJ-MRVPVSSYSA-N 1 2 288.316 -1.136 20 0 CAADLO C[N@H+]1CCO[C@@H](CS(=O)(=O)NCC(F)(F)CO)C1 ZINC000632225053 374165855 /nfs/dbraw/zinc/16/58/55/374165855.db2.gz XUASKFAITKXOCJ-MRVPVSSYSA-N 1 2 288.316 -1.136 20 0 CAADLO CC(=O)NC1CN(S(=O)(=O)C[C@@H]2C[N@H+](C)CCO2)C1 ZINC000632263353 374165920 /nfs/dbraw/zinc/16/59/20/374165920.db2.gz VTXFZTOBNGJECM-NSHDSACASA-N 1 2 291.373 -1.533 20 0 CAADLO CC(=O)NC1CN(S(=O)(=O)C[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000632263353 374165925 /nfs/dbraw/zinc/16/59/25/374165925.db2.gz VTXFZTOBNGJECM-NSHDSACASA-N 1 2 291.373 -1.533 20 0 CAADLO C[N@@H+]1CCO[C@H](CS(=O)(=O)N2CC(CO)C2)C1 ZINC000632202939 374166359 /nfs/dbraw/zinc/16/63/59/374166359.db2.gz ONHVOIDZXJPGEZ-JTQLQIEISA-N 1 2 264.347 -1.429 20 0 CAADLO C[N@H+]1CCO[C@H](CS(=O)(=O)N2CC(CO)C2)C1 ZINC000632202939 374166366 /nfs/dbraw/zinc/16/63/66/374166366.db2.gz ONHVOIDZXJPGEZ-JTQLQIEISA-N 1 2 264.347 -1.429 20 0 CAADLO C[N@@H+]1CCO[C@@H](CS(=O)(=O)N2CC(C)(O)C2)C1 ZINC000632291053 374166578 /nfs/dbraw/zinc/16/65/78/374166578.db2.gz XASYRWHNFOWCGP-SECBINFHSA-N 1 2 264.347 -1.287 20 0 CAADLO C[N@H+]1CCO[C@@H](CS(=O)(=O)N2CC(C)(O)C2)C1 ZINC000632291053 374166585 /nfs/dbraw/zinc/16/65/85/374166585.db2.gz XASYRWHNFOWCGP-SECBINFHSA-N 1 2 264.347 -1.287 20 0 CAADLO CCN(C)C(=O)CNS(=O)(=O)C[C@H]1C[N@H+](C)CCO1 ZINC000632235529 374166772 /nfs/dbraw/zinc/16/67/72/374166772.db2.gz VQYPLWCVTZMWHY-SNVBAGLBSA-N 1 2 293.389 -1.285 20 0 CAADLO CCN(C)C(=O)CNS(=O)(=O)C[C@H]1C[N@@H+](C)CCO1 ZINC000632235529 374166781 /nfs/dbraw/zinc/16/67/81/374166781.db2.gz VQYPLWCVTZMWHY-SNVBAGLBSA-N 1 2 293.389 -1.285 20 0 CAADLO COC[C@H](O)CNS(=O)(=O)C[C@@H]1C[N@H+](C)CCO1 ZINC000632314080 374167975 /nfs/dbraw/zinc/16/79/75/374167975.db2.gz RYRAVWPDBNSHMH-ZJUUUORDSA-N 1 2 282.362 -1.756 20 0 CAADLO COC[C@H](O)CNS(=O)(=O)C[C@@H]1C[N@@H+](C)CCO1 ZINC000632314080 374167981 /nfs/dbraw/zinc/16/79/81/374167981.db2.gz RYRAVWPDBNSHMH-ZJUUUORDSA-N 1 2 282.362 -1.756 20 0 CAADLO CN(C(C)(C)C(N)=O)S(=O)(=O)C[C@@H]1C[N@H+](C)CCO1 ZINC000632380052 374168092 /nfs/dbraw/zinc/16/80/92/374168092.db2.gz QCEUAWRNLQITBC-VIFPVBQESA-N 1 2 293.389 -1.158 20 0 CAADLO CN(C(C)(C)C(N)=O)S(=O)(=O)C[C@@H]1C[N@@H+](C)CCO1 ZINC000632380052 374168095 /nfs/dbraw/zinc/16/80/95/374168095.db2.gz QCEUAWRNLQITBC-VIFPVBQESA-N 1 2 293.389 -1.158 20 0 CAADLO C[C@H](O)CN(CCO)S(=O)(=O)C[C@@H]1C[N@H+](C)CCO1 ZINC000632342550 374168297 /nfs/dbraw/zinc/16/82/97/374168297.db2.gz PFYHLDKMKIIBKT-QWRGUYRKSA-N 1 2 296.389 -1.678 20 0 CAADLO C[C@H](O)CN(CCO)S(=O)(=O)C[C@@H]1C[N@@H+](C)CCO1 ZINC000632342550 374168299 /nfs/dbraw/zinc/16/82/99/374168299.db2.gz PFYHLDKMKIIBKT-QWRGUYRKSA-N 1 2 296.389 -1.678 20 0 CAADLO COC[C@H](O)CNS(=O)(=O)C[C@H]1C[N@H+](C)CCO1 ZINC000632314079 374168504 /nfs/dbraw/zinc/16/85/04/374168504.db2.gz RYRAVWPDBNSHMH-NXEZZACHSA-N 1 2 282.362 -1.756 20 0 CAADLO COC[C@H](O)CNS(=O)(=O)C[C@H]1C[N@@H+](C)CCO1 ZINC000632314079 374168512 /nfs/dbraw/zinc/16/85/12/374168512.db2.gz RYRAVWPDBNSHMH-NXEZZACHSA-N 1 2 282.362 -1.756 20 0 CAADLO C[N@@H+]1CCO[C@@H](CS(=O)(=O)N2CCC[C@@H]2C(N)=O)C1 ZINC000632414761 374169917 /nfs/dbraw/zinc/16/99/17/374169917.db2.gz ILSHAVMVYJFTQQ-NXEZZACHSA-N 1 2 291.373 -1.404 20 0 CAADLO C[N@H+]1CCO[C@@H](CS(=O)(=O)N2CCC[C@@H]2C(N)=O)C1 ZINC000632414761 374169923 /nfs/dbraw/zinc/16/99/23/374169923.db2.gz ILSHAVMVYJFTQQ-NXEZZACHSA-N 1 2 291.373 -1.404 20 0 CAADLO CO[C@@H]1CN(S(=O)(=O)C[C@@H]2C[N@H+](C)CCO2)C[C@H]1O ZINC000632416839 374170123 /nfs/dbraw/zinc/17/01/23/374170123.db2.gz GQUQKNKGLPGGFO-HBNTYKKESA-N 1 2 294.373 -1.662 20 0 CAADLO CO[C@@H]1CN(S(=O)(=O)C[C@@H]2C[N@@H+](C)CCO2)C[C@H]1O ZINC000632416839 374170126 /nfs/dbraw/zinc/17/01/26/374170126.db2.gz GQUQKNKGLPGGFO-HBNTYKKESA-N 1 2 294.373 -1.662 20 0 CAADLO CNC(=O)C[C@H](C)NS(=O)(=O)C[C@H]1C[N@H+](C)CCO1 ZINC000632418290 374170298 /nfs/dbraw/zinc/17/02/98/374170298.db2.gz CIFPQLQSVNIVGU-VHSXEESVSA-N 1 2 293.389 -1.239 20 0 CAADLO CNC(=O)C[C@H](C)NS(=O)(=O)C[C@H]1C[N@@H+](C)CCO1 ZINC000632418290 374170300 /nfs/dbraw/zinc/17/03/00/374170300.db2.gz CIFPQLQSVNIVGU-VHSXEESVSA-N 1 2 293.389 -1.239 20 0 CAADLO CC(=O)NCCN(C)S(=O)(=O)C[C@@H]1C[N@H+](C)CCO1 ZINC000632500150 374171265 /nfs/dbraw/zinc/17/12/65/374171265.db2.gz XCSNWEZOBARHSH-NSHDSACASA-N 1 2 293.389 -1.285 20 0 CAADLO CC(=O)NCCN(C)S(=O)(=O)C[C@@H]1C[N@@H+](C)CCO1 ZINC000632500150 374171271 /nfs/dbraw/zinc/17/12/71/374171271.db2.gz XCSNWEZOBARHSH-NSHDSACASA-N 1 2 293.389 -1.285 20 0 CAADLO CO[C@@](C)(CO)CNS(=O)(=O)C[C@H]1C[N@H+](C)CCO1 ZINC000632536895 374171562 /nfs/dbraw/zinc/17/15/62/374171562.db2.gz VXKMRYRDBMMNPH-GHMZBOCLSA-N 1 2 296.389 -1.366 20 0 CAADLO CO[C@@](C)(CO)CNS(=O)(=O)C[C@H]1C[N@@H+](C)CCO1 ZINC000632536895 374171572 /nfs/dbraw/zinc/17/15/72/374171572.db2.gz VXKMRYRDBMMNPH-GHMZBOCLSA-N 1 2 296.389 -1.366 20 0 CAADLO C[C@@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@@H+]1CCNC(=O)CC1 ZINC000068334268 374171957 /nfs/dbraw/zinc/17/19/57/374171957.db2.gz AJPNJQRPODQRMO-QWRGUYRKSA-N 1 2 296.371 -1.079 20 0 CAADLO C[C@@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@H+]1CCNC(=O)CC1 ZINC000068334268 374171962 /nfs/dbraw/zinc/17/19/62/374171962.db2.gz AJPNJQRPODQRMO-QWRGUYRKSA-N 1 2 296.371 -1.079 20 0 CAADLO C[C@H]1C(=O)N(C)CN1S(=O)(=O)C[C@@H]1C[N@H+](C)CCO1 ZINC000632504030 374172025 /nfs/dbraw/zinc/17/20/25/374172025.db2.gz ABNJKYMYRLXYIZ-UWVGGRQHSA-N 1 2 291.373 -1.233 20 0 CAADLO C[C@H]1C(=O)N(C)CN1S(=O)(=O)C[C@@H]1C[N@@H+](C)CCO1 ZINC000632504030 374172030 /nfs/dbraw/zinc/17/20/30/374172030.db2.gz ABNJKYMYRLXYIZ-UWVGGRQHSA-N 1 2 291.373 -1.233 20 0 CAADLO C[N@@H+]1CCO[C@@H](CS(=O)(=O)N[C@@H](CO)CCF)C1 ZINC000632514044 374172231 /nfs/dbraw/zinc/17/22/31/374172231.db2.gz YUNYOZCDPNMSNI-NXEZZACHSA-N 1 2 284.353 -1.043 20 0 CAADLO C[N@H+]1CCO[C@@H](CS(=O)(=O)N[C@@H](CO)CCF)C1 ZINC000632514044 374172236 /nfs/dbraw/zinc/17/22/36/374172236.db2.gz YUNYOZCDPNMSNI-NXEZZACHSA-N 1 2 284.353 -1.043 20 0 CAADLO C[C@@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[N@@H+]1CCNC(=O)CC1 ZINC000068334270 374172379 /nfs/dbraw/zinc/17/23/79/374172379.db2.gz AJPNJQRPODQRMO-WDEREUQCSA-N 1 2 296.371 -1.079 20 0 CAADLO C[C@@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[N@H+]1CCNC(=O)CC1 ZINC000068334270 374172383 /nfs/dbraw/zinc/17/23/83/374172383.db2.gz AJPNJQRPODQRMO-WDEREUQCSA-N 1 2 296.371 -1.079 20 0 CAADLO C[C@H]1C(=O)N(C)CN1S(=O)(=O)C[C@H]1C[N@H+](C)CCO1 ZINC000632504031 374172450 /nfs/dbraw/zinc/17/24/50/374172450.db2.gz ABNJKYMYRLXYIZ-VHSXEESVSA-N 1 2 291.373 -1.233 20 0 CAADLO C[C@H]1C(=O)N(C)CN1S(=O)(=O)C[C@H]1C[N@@H+](C)CCO1 ZINC000632504031 374172455 /nfs/dbraw/zinc/17/24/55/374172455.db2.gz ABNJKYMYRLXYIZ-VHSXEESVSA-N 1 2 291.373 -1.233 20 0 CAADLO C[C@H]1C(=O)NCCN1C(=O)C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000632476586 374172544 /nfs/dbraw/zinc/17/25/44/374172544.db2.gz GHMTZWHNVQVWHO-QMMMGPOBSA-N 1 2 279.300 -1.285 20 0 CAADLO COCCS(=O)(=O)N1CC[N@H+](C)C[C@H]1CO ZINC000632577448 374173272 /nfs/dbraw/zinc/17/32/72/374173272.db2.gz BONFCBUXFZYLSZ-VIFPVBQESA-N 1 2 252.336 -1.429 20 0 CAADLO COCCS(=O)(=O)N1CC[N@@H+](C)C[C@H]1CO ZINC000632577448 374173282 /nfs/dbraw/zinc/17/32/82/374173282.db2.gz BONFCBUXFZYLSZ-VIFPVBQESA-N 1 2 252.336 -1.429 20 0 CAADLO CO[C@H]1COC[C@H]1S(=O)(=O)N1CC[N@H+](C)C[C@@H]1CO ZINC000632576410 374173343 /nfs/dbraw/zinc/17/33/43/374173343.db2.gz QBASRJCIIFZHCI-OUAUKWLOSA-N 1 2 294.373 -1.662 20 0 CAADLO CO[C@H]1COC[C@H]1S(=O)(=O)N1CC[N@@H+](C)C[C@@H]1CO ZINC000632576410 374173348 /nfs/dbraw/zinc/17/33/48/374173348.db2.gz QBASRJCIIFZHCI-OUAUKWLOSA-N 1 2 294.373 -1.662 20 0 CAADLO Cn1nccc1S(=O)(=O)N1CC[N@H+](C)C[C@@H]1CO ZINC000632578199 374173441 /nfs/dbraw/zinc/17/34/41/374173441.db2.gz PKSJRUQKYNVDFZ-SECBINFHSA-N 1 2 274.346 -1.283 20 0 CAADLO Cn1nccc1S(=O)(=O)N1CC[N@@H+](C)C[C@@H]1CO ZINC000632578199 374173448 /nfs/dbraw/zinc/17/34/48/374173448.db2.gz PKSJRUQKYNVDFZ-SECBINFHSA-N 1 2 274.346 -1.283 20 0 CAADLO Cn1cc(S(=O)(=O)N2CC[N@H+](C)C[C@H]2CO)cn1 ZINC000632577699 374173580 /nfs/dbraw/zinc/17/35/80/374173580.db2.gz VTHLNODRLMLTAL-VIFPVBQESA-N 1 2 274.346 -1.283 20 0 CAADLO Cn1cc(S(=O)(=O)N2CC[N@@H+](C)C[C@H]2CO)cn1 ZINC000632577699 374173585 /nfs/dbraw/zinc/17/35/85/374173585.db2.gz VTHLNODRLMLTAL-VIFPVBQESA-N 1 2 274.346 -1.283 20 0 CAADLO C[N@@H+]1CCN(S(=O)(=O)N2CCCC2)[C@@H](CO)C1 ZINC000632577897 374173634 /nfs/dbraw/zinc/17/36/34/374173634.db2.gz ZQYJTDODKOSMSV-SNVBAGLBSA-N 1 2 263.363 -1.065 20 0 CAADLO C[N@H+]1CCN(S(=O)(=O)N2CCCC2)[C@@H](CO)C1 ZINC000632577897 374173640 /nfs/dbraw/zinc/17/36/40/374173640.db2.gz ZQYJTDODKOSMSV-SNVBAGLBSA-N 1 2 263.363 -1.065 20 0 CAADLO CCN(C)S(=O)(=O)N1CC[N@H+](C)C[C@@H]1CO ZINC000632578112 374173659 /nfs/dbraw/zinc/17/36/59/374173659.db2.gz NOSOIYKFJVPAKX-SECBINFHSA-N 1 2 251.352 -1.209 20 0 CAADLO CCN(C)S(=O)(=O)N1CC[N@@H+](C)C[C@@H]1CO ZINC000632578112 374173665 /nfs/dbraw/zinc/17/36/65/374173665.db2.gz NOSOIYKFJVPAKX-SECBINFHSA-N 1 2 251.352 -1.209 20 0 CAADLO C[N@@H+]1CCN(S(=O)(=O)c2c[nH]cn2)[C@H](CO)C1 ZINC000632578344 374173783 /nfs/dbraw/zinc/17/37/83/374173783.db2.gz SXVZFWTZLXJANP-QMMMGPOBSA-N 1 2 260.319 -1.293 20 0 CAADLO C[N@H+]1CCN(S(=O)(=O)c2c[nH]cn2)[C@H](CO)C1 ZINC000632578344 374173787 /nfs/dbraw/zinc/17/37/87/374173787.db2.gz SXVZFWTZLXJANP-QMMMGPOBSA-N 1 2 260.319 -1.293 20 0 CAADLO C[C@H](O)C[N@@H+]1CCN(C(=O)C2CS(=O)(=O)C2)[C@H](C)C1 ZINC000632565848 374173824 /nfs/dbraw/zinc/17/38/24/374173824.db2.gz RKHOYWIZGUNCJI-ZJUUUORDSA-N 1 2 290.385 -1.056 20 0 CAADLO C[C@H](O)C[N@H+]1CCN(C(=O)C2CS(=O)(=O)C2)[C@H](C)C1 ZINC000632565848 374173828 /nfs/dbraw/zinc/17/38/28/374173828.db2.gz RKHOYWIZGUNCJI-ZJUUUORDSA-N 1 2 290.385 -1.056 20 0 CAADLO C[N@@H+]1CCN(S(=O)(=O)[C@@H]2CCOC2)[C@@H](CO)C1 ZINC000632578118 374173865 /nfs/dbraw/zinc/17/38/65/374173865.db2.gz NQAARCWEDHGJJO-NXEZZACHSA-N 1 2 264.347 -1.287 20 0 CAADLO C[N@H+]1CCN(S(=O)(=O)[C@@H]2CCOC2)[C@@H](CO)C1 ZINC000632578118 374173871 /nfs/dbraw/zinc/17/38/71/374173871.db2.gz NQAARCWEDHGJJO-NXEZZACHSA-N 1 2 264.347 -1.287 20 0 CAADLO COC[C@H](C)S(=O)(=O)N1CC[N@H+](C)C[C@@H]1CO ZINC000632577376 374173938 /nfs/dbraw/zinc/17/39/38/374173938.db2.gz AJIVSFGCQCEAOD-VHSXEESVSA-N 1 2 266.363 -1.041 20 0 CAADLO COC[C@H](C)S(=O)(=O)N1CC[N@@H+](C)C[C@@H]1CO ZINC000632577376 374173943 /nfs/dbraw/zinc/17/39/43/374173943.db2.gz AJIVSFGCQCEAOD-VHSXEESVSA-N 1 2 266.363 -1.041 20 0 CAADLO C[N@@H+]1CCN(S(=O)(=O)c2c[nH]cn2)[C@@H](CO)C1 ZINC000632578343 374173984 /nfs/dbraw/zinc/17/39/84/374173984.db2.gz SXVZFWTZLXJANP-MRVPVSSYSA-N 1 2 260.319 -1.293 20 0 CAADLO C[N@H+]1CCN(S(=O)(=O)c2c[nH]cn2)[C@@H](CO)C1 ZINC000632578343 374173989 /nfs/dbraw/zinc/17/39/89/374173989.db2.gz SXVZFWTZLXJANP-MRVPVSSYSA-N 1 2 260.319 -1.293 20 0 CAADLO Cn1cnc(S(=O)(=O)N2CC[N@H+](C)C[C@H]2CO)c1 ZINC000632577265 374174100 /nfs/dbraw/zinc/17/41/00/374174100.db2.gz PBUSZZUDICEHTP-VIFPVBQESA-N 1 2 274.346 -1.283 20 0 CAADLO Cn1cnc(S(=O)(=O)N2CC[N@@H+](C)C[C@H]2CO)c1 ZINC000632577265 374174108 /nfs/dbraw/zinc/17/41/08/374174108.db2.gz PBUSZZUDICEHTP-VIFPVBQESA-N 1 2 274.346 -1.283 20 0 CAADLO CO[C@H](C)CS(=O)(=O)N1CC[N@H+](C)C[C@@H]1CO ZINC000632578182 374174198 /nfs/dbraw/zinc/17/41/98/374174198.db2.gz PFEHUSRIZRYIRP-NXEZZACHSA-N 1 2 266.363 -1.041 20 0 CAADLO CO[C@H](C)CS(=O)(=O)N1CC[N@@H+](C)C[C@@H]1CO ZINC000632578182 374174201 /nfs/dbraw/zinc/17/42/01/374174201.db2.gz PFEHUSRIZRYIRP-NXEZZACHSA-N 1 2 266.363 -1.041 20 0 CAADLO C[N@@H+]1CCN(S(=O)(=O)C2COC2)[C@@H](CO)C1 ZINC000632578564 374174221 /nfs/dbraw/zinc/17/42/21/374174221.db2.gz YLZHBDLSUZYTOA-MRVPVSSYSA-N 1 2 250.320 -1.677 20 0 CAADLO C[N@H+]1CCN(S(=O)(=O)C2COC2)[C@@H](CO)C1 ZINC000632578564 374174222 /nfs/dbraw/zinc/17/42/22/374174222.db2.gz YLZHBDLSUZYTOA-MRVPVSSYSA-N 1 2 250.320 -1.677 20 0 CAADLO COCCCS(=O)(=O)N1CC[N@H+](C)C[C@H]1CO ZINC000632578426 374174328 /nfs/dbraw/zinc/17/43/28/374174328.db2.gz VJLOZHOCCGXCLW-JTQLQIEISA-N 1 2 266.363 -1.039 20 0 CAADLO COCCCS(=O)(=O)N1CC[N@@H+](C)C[C@H]1CO ZINC000632578426 374174331 /nfs/dbraw/zinc/17/43/31/374174331.db2.gz VJLOZHOCCGXCLW-JTQLQIEISA-N 1 2 266.363 -1.039 20 0 CAADLO COC[C@@H](C)S(=O)(=O)N1CC[N@H+](C)C[C@H]1CO ZINC000632577377 374174369 /nfs/dbraw/zinc/17/43/69/374174369.db2.gz AJIVSFGCQCEAOD-ZJUUUORDSA-N 1 2 266.363 -1.041 20 0 CAADLO COC[C@@H](C)S(=O)(=O)N1CC[N@@H+](C)C[C@H]1CO ZINC000632577377 374174372 /nfs/dbraw/zinc/17/43/72/374174372.db2.gz AJIVSFGCQCEAOD-ZJUUUORDSA-N 1 2 266.363 -1.041 20 0 CAADLO C[N@@H+]1CCO[C@H](CS(=O)(=O)NC[C@@H]2CCC(=O)N2)C1 ZINC000632563515 374174376 /nfs/dbraw/zinc/17/43/76/374174376.db2.gz VJPAVPLFLHIPDJ-UWVGGRQHSA-N 1 2 291.373 -1.485 20 0 CAADLO C[N@H+]1CCO[C@H](CS(=O)(=O)NC[C@@H]2CCC(=O)N2)C1 ZINC000632563515 374174378 /nfs/dbraw/zinc/17/43/78/374174378.db2.gz VJPAVPLFLHIPDJ-UWVGGRQHSA-N 1 2 291.373 -1.485 20 0 CAADLO CC(C)NS(=O)(=O)N1CC[N@H+](C)C[C@H]1CO ZINC000632577837 374174461 /nfs/dbraw/zinc/17/44/61/374174461.db2.gz HMDKYAHVUYQIIU-VIFPVBQESA-N 1 2 251.352 -1.163 20 0 CAADLO CC(C)NS(=O)(=O)N1CC[N@@H+](C)C[C@H]1CO ZINC000632577837 374174466 /nfs/dbraw/zinc/17/44/66/374174466.db2.gz HMDKYAHVUYQIIU-VIFPVBQESA-N 1 2 251.352 -1.163 20 0 CAADLO COCCN(C)S(=O)(=O)N1CC[N@H+](C)C[C@H]1CO ZINC000632577678 374174536 /nfs/dbraw/zinc/17/45/36/374174536.db2.gz FQESHFOWGWYNRW-JTQLQIEISA-N 1 2 281.378 -1.582 20 0 CAADLO COCCN(C)S(=O)(=O)N1CC[N@@H+](C)C[C@H]1CO ZINC000632577678 374174540 /nfs/dbraw/zinc/17/45/40/374174540.db2.gz FQESHFOWGWYNRW-JTQLQIEISA-N 1 2 281.378 -1.582 20 0 CAADLO CCN(C)S(=O)(=O)N1CC[N@H+](C)C[C@H]1CO ZINC000632578113 374174713 /nfs/dbraw/zinc/17/47/13/374174713.db2.gz NOSOIYKFJVPAKX-VIFPVBQESA-N 1 2 251.352 -1.209 20 0 CAADLO CCN(C)S(=O)(=O)N1CC[N@@H+](C)C[C@H]1CO ZINC000632578113 374174719 /nfs/dbraw/zinc/17/47/19/374174719.db2.gz NOSOIYKFJVPAKX-VIFPVBQESA-N 1 2 251.352 -1.209 20 0 CAADLO C[C@H](C(=O)N(C)C)S(=O)(=O)N1CC[N@H+](C)C[C@H]1CO ZINC000632578450 374174760 /nfs/dbraw/zinc/17/47/60/374174760.db2.gz WBIJMZWOMPYEAI-ZJUUUORDSA-N 1 2 293.389 -1.599 20 0 CAADLO C[C@H](C(=O)N(C)C)S(=O)(=O)N1CC[N@@H+](C)C[C@H]1CO ZINC000632578450 374174765 /nfs/dbraw/zinc/17/47/65/374174765.db2.gz WBIJMZWOMPYEAI-ZJUUUORDSA-N 1 2 293.389 -1.599 20 0 CAADLO Cn1cnc(S(=O)(=O)N2CC[N@H+](C)C[C@@H]2CO)c1 ZINC000632577264 374174774 /nfs/dbraw/zinc/17/47/74/374174774.db2.gz PBUSZZUDICEHTP-SECBINFHSA-N 1 2 274.346 -1.283 20 0 CAADLO Cn1cnc(S(=O)(=O)N2CC[N@@H+](C)C[C@@H]2CO)c1 ZINC000632577264 374174779 /nfs/dbraw/zinc/17/47/79/374174779.db2.gz PBUSZZUDICEHTP-SECBINFHSA-N 1 2 274.346 -1.283 20 0 CAADLO C[C@H]1CN(C(=O)C(=O)N(C)Cc2[nH]cc[nH+]2)C[C@H](CO)O1 ZINC000632617514 374175606 /nfs/dbraw/zinc/17/56/06/374175606.db2.gz YERTWJJSQRPRKY-VHSXEESVSA-N 1 2 296.327 -1.024 20 0 CAADLO CC1(C)CN(C(=O)C2CS(=O)(=O)C2)CC[N@@H+]1CCO ZINC000632676040 374178369 /nfs/dbraw/zinc/17/83/69/374178369.db2.gz ZBOPNNNFMHIUEE-UHFFFAOYSA-N 1 2 290.385 -1.054 20 0 CAADLO CC1(C)CN(C(=O)C2CS(=O)(=O)C2)CC[N@H+]1CCO ZINC000632676040 374178376 /nfs/dbraw/zinc/17/83/76/374178376.db2.gz ZBOPNNNFMHIUEE-UHFFFAOYSA-N 1 2 290.385 -1.054 20 0 CAADLO CO[C@H]1CN(C(=O)C(=O)N2CC[NH+](C)CC2)[C@](C)(CO)C1 ZINC000632719865 374178567 /nfs/dbraw/zinc/17/85/67/374178567.db2.gz MUXHDQZOBDEIFR-RISCZKNCSA-N 1 2 299.371 -1.241 20 0 CAADLO CC[C@H](NC(C)=O)C(=O)N[C@@H](CO)C[NH+]1CCOCC1 ZINC000632855234 374179225 /nfs/dbraw/zinc/17/92/25/374179225.db2.gz PLDBVRGJYHGWKX-NEPJUHHUSA-N 1 2 287.360 -1.290 20 0 CAADLO CC(=O)N1CCC[C@@H]1C(=O)N[C@H](CO)C[NH+]1CCOCC1 ZINC000632854830 374179636 /nfs/dbraw/zinc/17/96/36/374179636.db2.gz MCNBMNVGMPPEQH-QWHCGFSZSA-N 1 2 299.371 -1.193 20 0 CAADLO CC[C@H](NC(C)=O)C(=O)N[C@H](CO)C[NH+]1CCOCC1 ZINC000632855236 374179722 /nfs/dbraw/zinc/17/97/22/374179722.db2.gz PLDBVRGJYHGWKX-RYUDHWBXSA-N 1 2 287.360 -1.290 20 0 CAADLO CC(=O)N1CCC[C@H]1C(=O)N[C@H](CO)C[NH+]1CCOCC1 ZINC000632854832 374179862 /nfs/dbraw/zinc/17/98/62/374179862.db2.gz MCNBMNVGMPPEQH-STQMWFEESA-N 1 2 299.371 -1.193 20 0 CAADLO CN(C[C@@H]1C[N@H+](C)CCO1)C(=O)C1(S(N)(=O)=O)CC1 ZINC000633918819 374194153 /nfs/dbraw/zinc/19/41/53/374194153.db2.gz VZGVGRPPDPYECG-VIFPVBQESA-N 1 2 291.373 -1.404 20 0 CAADLO CN(C[C@@H]1C[N@@H+](C)CCO1)C(=O)C1(S(N)(=O)=O)CC1 ZINC000633918819 374194160 /nfs/dbraw/zinc/19/41/60/374194160.db2.gz VZGVGRPPDPYECG-VIFPVBQESA-N 1 2 291.373 -1.404 20 0 CAADLO O=C(NC1COC1)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000634255941 374199322 /nfs/dbraw/zinc/19/93/22/374199322.db2.gz YMEAJJCIPFZFPA-NSHDSACASA-N 1 2 297.355 -1.318 20 0 CAADLO O=C(N[C@@H]1CCC[N@@H+](CCCO)C1)C1CS(=O)(=O)C1 ZINC000633255890 374189020 /nfs/dbraw/zinc/18/90/20/374189020.db2.gz GNRFVIDNILHQKK-LLVKDONJSA-N 1 2 290.385 -1.006 20 0 CAADLO O=C(N[C@@H]1CCC[N@H+](CCCO)C1)C1CS(=O)(=O)C1 ZINC000633255890 374189021 /nfs/dbraw/zinc/18/90/21/374189021.db2.gz GNRFVIDNILHQKK-LLVKDONJSA-N 1 2 290.385 -1.006 20 0 CAADLO C[N@@H+]1CCOC[C@H]1CNC(=O)[C@@H]1CCCNC1=O ZINC000633686111 374190862 /nfs/dbraw/zinc/19/08/62/374190862.db2.gz YZVMULOUEDJGBI-NXEZZACHSA-N 1 2 255.318 -1.041 20 0 CAADLO C[N@H+]1CCOC[C@H]1CNC(=O)[C@@H]1CCCNC1=O ZINC000633686111 374190872 /nfs/dbraw/zinc/19/08/72/374190872.db2.gz YZVMULOUEDJGBI-NXEZZACHSA-N 1 2 255.318 -1.041 20 0 CAADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CCCNC1=O ZINC000633686119 374191040 /nfs/dbraw/zinc/19/10/40/374191040.db2.gz YZVMULOUEDJGBI-VHSXEESVSA-N 1 2 255.318 -1.041 20 0 CAADLO C[N@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CCCNC1=O ZINC000633686119 374191044 /nfs/dbraw/zinc/19/10/44/374191044.db2.gz YZVMULOUEDJGBI-VHSXEESVSA-N 1 2 255.318 -1.041 20 0 CAADLO NS(=O)(=O)CC[NH+]1CCN(Cc2cn[nH]c2)CC1 ZINC000678282867 545607467 /nfs/dbraw/zinc/60/74/67/545607467.db2.gz MSINJYZMSBYOGI-UHFFFAOYSA-N 1 2 273.362 -1.184 20 0 CAADLO NS(=O)(=O)CCN1CC[NH+](Cc2cn[nH]c2)CC1 ZINC000678282867 545607474 /nfs/dbraw/zinc/60/74/74/545607474.db2.gz MSINJYZMSBYOGI-UHFFFAOYSA-N 1 2 273.362 -1.184 20 0 CAADLO COCC(=O)NCCC(=O)N[C@@H]1C[N@H+](CCF)C[C@H]1O ZINC001193500196 781968923 /nfs/dbraw/zinc/96/89/23/781968923.db2.gz PLNOCZVGVPFGMU-NXEZZACHSA-N 1 2 291.323 -1.730 20 0 CAADLO COCC(=O)NCCC(=O)N[C@@H]1C[N@@H+](CCF)C[C@H]1O ZINC001193500196 781968937 /nfs/dbraw/zinc/96/89/37/781968937.db2.gz PLNOCZVGVPFGMU-NXEZZACHSA-N 1 2 291.323 -1.730 20 0 CAADLO COCC(=O)N(C)CC(=O)N[C@@H]1C[N@H+](CCF)C[C@H]1O ZINC001193481751 781969739 /nfs/dbraw/zinc/96/97/39/781969739.db2.gz GUGJAPHUYWQLJV-NXEZZACHSA-N 1 2 291.323 -1.778 20 0 CAADLO COCC(=O)N(C)CC(=O)N[C@@H]1C[N@@H+](CCF)C[C@H]1O ZINC001193481751 781969747 /nfs/dbraw/zinc/96/97/47/781969747.db2.gz GUGJAPHUYWQLJV-NXEZZACHSA-N 1 2 291.323 -1.778 20 0 CAADLO CS(=O)(=O)NCCC(=O)N[C@@H]1C[N@H+](CCF)C[C@H]1O ZINC001193465675 781970585 /nfs/dbraw/zinc/97/05/85/781970585.db2.gz ZIRGRGPSJHYWIR-RKDXNWHRSA-N 1 2 297.352 -1.944 20 0 CAADLO CS(=O)(=O)NCCC(=O)N[C@@H]1C[N@@H+](CCF)C[C@H]1O ZINC001193465675 781970594 /nfs/dbraw/zinc/97/05/94/781970594.db2.gz ZIRGRGPSJHYWIR-RKDXNWHRSA-N 1 2 297.352 -1.944 20 0 CAADLO COCCC(=O)N1CC[NH+]([C@H]2COC[C@@H]2O)CC1 ZINC000361376175 284844632 /nfs/dbraw/zinc/84/46/32/284844632.db2.gz FYOODBCQCXEBKS-QWRGUYRKSA-N 1 2 258.318 -1.073 20 0 CAADLO COCCC(=O)N1CC[NH+]([C@@H]2COC[C@@H]2O)CC1 ZINC000361376174 284844873 /nfs/dbraw/zinc/84/48/73/284844873.db2.gz FYOODBCQCXEBKS-MNOVXSKESA-N 1 2 258.318 -1.073 20 0 CAADLO CNC(=O)NCC(=O)N[C@@H]1C[N@H+](CCF)C[C@H]1O ZINC001193535171 781971322 /nfs/dbraw/zinc/97/13/22/781971322.db2.gz FHVDAXGKNAMIQG-HTQZYQBOSA-N 1 2 262.285 -1.954 20 0 CAADLO CNC(=O)NCC(=O)N[C@@H]1C[N@@H+](CCF)C[C@H]1O ZINC001193535171 781971330 /nfs/dbraw/zinc/97/13/30/781971330.db2.gz FHVDAXGKNAMIQG-HTQZYQBOSA-N 1 2 262.285 -1.954 20 0 CAADLO C[C@H]1C[N@H+](CCS(=O)(=O)N(C)C)C[C@@H](CO)O1 ZINC000310209234 252087689 /nfs/dbraw/zinc/08/76/89/252087689.db2.gz JWINYAPLAGZVDJ-UWVGGRQHSA-N 1 2 266.363 -1.041 20 0 CAADLO C[C@H]1C[N@@H+](CCS(=O)(=O)N(C)C)C[C@@H](CO)O1 ZINC000310209234 252087692 /nfs/dbraw/zinc/08/76/92/252087692.db2.gz JWINYAPLAGZVDJ-UWVGGRQHSA-N 1 2 266.363 -1.041 20 0 CAADLO C[C@H]1CO[C@H](CO)C[N@@H+]1CCS(=O)(=O)N(C)C ZINC000310291426 252087832 /nfs/dbraw/zinc/08/78/32/252087832.db2.gz KPUZGXCSLIDONK-UWVGGRQHSA-N 1 2 266.363 -1.041 20 0 CAADLO C[C@H]1CO[C@H](CO)C[N@H+]1CCS(=O)(=O)N(C)C ZINC000310291426 252087836 /nfs/dbraw/zinc/08/78/36/252087836.db2.gz KPUZGXCSLIDONK-UWVGGRQHSA-N 1 2 266.363 -1.041 20 0 CAADLO CC[C@H](C)[C@H](NC(=O)C[NH+]1C[C@@H](O)[C@H](O)C1)C(=O)OC ZINC000300189970 252088129 /nfs/dbraw/zinc/08/81/29/252088129.db2.gz LNJLIBZADCBDBU-XNDJQWLSSA-N 1 2 288.344 -1.272 20 0 CAADLO CC(=O)[C@@H](NC(=O)C[N@@H+]1CC[C@](O)(C(N)=O)C1)C(C)C ZINC000312690936 252088786 /nfs/dbraw/zinc/08/87/86/252088786.db2.gz QKRRWIHDEHEOGU-WCQYABFASA-N 1 2 285.344 -1.362 20 0 CAADLO CC(=O)[C@@H](NC(=O)C[N@H+]1CC[C@](O)(C(N)=O)C1)C(C)C ZINC000312690936 252088792 /nfs/dbraw/zinc/08/87/92/252088792.db2.gz QKRRWIHDEHEOGU-WCQYABFASA-N 1 2 285.344 -1.362 20 0 CAADLO Cn1cc(N2CC[C@H]([NH+]3C[C@H](O)[C@@H](O)C3)C2=O)cn1 ZINC000328598001 252089996 /nfs/dbraw/zinc/08/99/96/252089996.db2.gz AUVVGIVEUMHIDF-DCAQKATOSA-N 1 2 266.301 -1.437 20 0 CAADLO Nc1nc(N)nc(SC[C@H](O)C[NH+]2CCOCC2)n1 ZINC000312114247 252090401 /nfs/dbraw/zinc/09/04/01/252090401.db2.gz OGYDTGXNINDEQA-SSDOTTSWSA-N 1 2 286.361 -1.179 20 0 CAADLO CN1C(=O)CC[C@H]1C(=O)N(CCO)CC[NH+]1CCOCC1 ZINC000328679294 252091381 /nfs/dbraw/zinc/09/13/81/252091381.db2.gz MXZJYOLUMXUWSC-LBPRGKRZSA-N 1 2 299.371 -1.240 20 0 CAADLO CN1C(=O)CC[C@@H]1C(=O)N(CCO)CC[NH+]1CCOCC1 ZINC000328679293 252091585 /nfs/dbraw/zinc/09/15/85/252091585.db2.gz MXZJYOLUMXUWSC-GFCCVEGCSA-N 1 2 299.371 -1.240 20 0 CAADLO O=C1CN(C[C@H](O)C[NH+]2CCOCC2)CCN1C1CC1 ZINC000328677142 252091824 /nfs/dbraw/zinc/09/18/24/252091824.db2.gz RZQKTPIVVAVMBU-CYBMUJFWSA-N 1 2 283.372 -1.014 20 0 CAADLO O=C(C[N@@H+]1C[C@@H]2COC[C@H](C1)O2)N1CCOCC1 ZINC000328674737 252092474 /nfs/dbraw/zinc/09/24/74/252092474.db2.gz KCFAZFUERHEKSA-PHIMTYICSA-N 1 2 256.302 -1.055 20 0 CAADLO O=C(C[N@H+]1C[C@@H]2COC[C@H](C1)O2)N1CCOCC1 ZINC000328674737 252092476 /nfs/dbraw/zinc/09/24/76/252092476.db2.gz KCFAZFUERHEKSA-PHIMTYICSA-N 1 2 256.302 -1.055 20 0 CAADLO NS(=O)(=O)N1CC[NH+]([C@@H]2CCN(C3CC3)C2=O)CC1 ZINC000328617947 252092574 /nfs/dbraw/zinc/09/25/74/252092574.db2.gz UQMITEOMUZTNOR-SNVBAGLBSA-N 1 2 288.373 -1.429 20 0 CAADLO Cc1cc(N2CC[C@@H]([N@H+]3C[C@@H](O)[C@@H](O)C3)C2=O)n(C)n1 ZINC000328612517 252092594 /nfs/dbraw/zinc/09/25/94/252092594.db2.gz PMVPQTZFRJPHJP-MXWKQRLJSA-N 1 2 280.328 -1.129 20 0 CAADLO Cc1cc(N2CC[C@@H]([N@@H+]3C[C@@H](O)[C@@H](O)C3)C2=O)n(C)n1 ZINC000328612517 252092598 /nfs/dbraw/zinc/09/25/98/252092598.db2.gz PMVPQTZFRJPHJP-MXWKQRLJSA-N 1 2 280.328 -1.129 20 0 CAADLO O=C1NC[C@@H]2C[N@H+](CCn3ccnc3)CCN2C1=O ZINC000328613466 252092683 /nfs/dbraw/zinc/09/26/83/252092683.db2.gz QJPXHVPPMXWZQX-SNVBAGLBSA-N 1 2 263.301 -1.474 20 0 CAADLO O=C1NC[C@@H]2C[N@@H+](CCn3ccnc3)CCN2C1=O ZINC000328613466 252092687 /nfs/dbraw/zinc/09/26/87/252092687.db2.gz QJPXHVPPMXWZQX-SNVBAGLBSA-N 1 2 263.301 -1.474 20 0 CAADLO O=C1NC[C@@H]2CN(CCn3cc[nH+]c3)CCN2C1=O ZINC000328613466 252092689 /nfs/dbraw/zinc/09/26/89/252092689.db2.gz QJPXHVPPMXWZQX-SNVBAGLBSA-N 1 2 263.301 -1.474 20 0 CAADLO Cn1c[nH+]cc1CN1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC000328612634 252092953 /nfs/dbraw/zinc/09/29/53/252092953.db2.gz PPNROQMOZKZDPI-JTQLQIEISA-N 1 2 263.301 -1.437 20 0 CAADLO COC(=O)[C@@H]1COCCN1C[C@H](O)C[NH+]1CCOCC1 ZINC000330366680 252094253 /nfs/dbraw/zinc/09/42/53/252094253.db2.gz YIKWGNIFMAPDCY-NEPJUHHUSA-N 1 2 288.344 -1.447 20 0 CAADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@@H]1COCCO1 ZINC000328949309 252094832 /nfs/dbraw/zinc/09/48/32/252094832.db2.gz WNGAEXIVQVTBHW-RYUDHWBXSA-N 1 2 288.344 -1.447 20 0 CAADLO Cn1cnn(CCC(=O)N2C[C@@H]3OCC[N@H+](C)[C@H]3C2)c1=O ZINC000328946081 252094847 /nfs/dbraw/zinc/09/48/47/252094847.db2.gz VGRNZDBYORGLCR-QWRGUYRKSA-N 1 2 295.343 -1.487 20 0 CAADLO Cn1cnn(CCC(=O)N2C[C@@H]3OCC[N@@H+](C)[C@H]3C2)c1=O ZINC000328946081 252094850 /nfs/dbraw/zinc/09/48/50/252094850.db2.gz VGRNZDBYORGLCR-QWRGUYRKSA-N 1 2 295.343 -1.487 20 0 CAADLO Cn1ccc(CN2CC[NH+](CCS(N)(=O)=O)CC2)n1 ZINC000330365709 252094864 /nfs/dbraw/zinc/09/48/64/252094864.db2.gz PWJSEJJOFRFQQF-UHFFFAOYSA-N 1 2 287.389 -1.174 20 0 CAADLO COC(=O)[C@@H]1C[C@H](O)CN1C[C@H](O)C[NH+]1CCOCC1 ZINC000330366313 252094869 /nfs/dbraw/zinc/09/48/69/252094869.db2.gz NMWDQKVQIMWCIU-TUAOUCFPSA-N 1 2 288.344 -1.712 20 0 CAADLO COC(=O)[C@@H]1C[C@H](O)C[N@@H+]1C[C@H](O)CN1CCOCC1 ZINC000330366313 252094871 /nfs/dbraw/zinc/09/48/71/252094871.db2.gz NMWDQKVQIMWCIU-TUAOUCFPSA-N 1 2 288.344 -1.712 20 0 CAADLO COC(=O)[C@@H]1C[C@H](O)C[N@H+]1C[C@H](O)CN1CCOCC1 ZINC000330366313 252094873 /nfs/dbraw/zinc/09/48/73/252094873.db2.gz NMWDQKVQIMWCIU-TUAOUCFPSA-N 1 2 288.344 -1.712 20 0 CAADLO Cn1cnn(CCC(=O)N2C[C@H]3OCC[N@H+](C)[C@@H]3C2)c1=O ZINC000328946077 252094914 /nfs/dbraw/zinc/09/49/14/252094914.db2.gz VGRNZDBYORGLCR-GHMZBOCLSA-N 1 2 295.343 -1.487 20 0 CAADLO Cn1cnn(CCC(=O)N2C[C@H]3OCC[N@@H+](C)[C@@H]3C2)c1=O ZINC000328946077 252094917 /nfs/dbraw/zinc/09/49/17/252094917.db2.gz VGRNZDBYORGLCR-GHMZBOCLSA-N 1 2 295.343 -1.487 20 0 CAADLO CCS(=O)(=O)NCCNC(=O)[C@H](C)[NH+]1CCOCC1 ZINC000330400792 252095034 /nfs/dbraw/zinc/09/50/34/252095034.db2.gz SMXVMBGYRKSIGW-JTQLQIEISA-N 1 2 293.389 -1.237 20 0 CAADLO O=C(N[C@@H](CO)C[NH+]1CCOCC1)[C@@H]1CCOC1 ZINC000330469889 252095594 /nfs/dbraw/zinc/09/55/94/252095594.db2.gz ZNHCGGBLRHBTCV-GHMZBOCLSA-N 1 2 258.318 -1.168 20 0 CAADLO C[C@@H](C(=O)NCCNS(C)(=O)=O)[NH+]1CCOCC1 ZINC000330467198 252095874 /nfs/dbraw/zinc/09/58/74/252095874.db2.gz RYRLVBFLSJIZJD-VIFPVBQESA-N 1 2 279.362 -1.628 20 0 CAADLO C[C@H](C(=O)N[C@H](CO)C[NH+]1CCOCC1)n1cncn1 ZINC000330467814 252096021 /nfs/dbraw/zinc/09/60/21/252096021.db2.gz YCSIIAPSBHYOAK-MNOVXSKESA-N 1 2 283.332 -1.352 20 0 CAADLO COC(=O)CNC(=O)C[N@@H+]1CCC[C@H](NC(C)=O)C1 ZINC000330432416 252096063 /nfs/dbraw/zinc/09/60/63/252096063.db2.gz OFEITOBNFQGAOK-JTQLQIEISA-N 1 2 271.317 -1.124 20 0 CAADLO COC(=O)CNC(=O)C[N@H+]1CCC[C@H](NC(C)=O)C1 ZINC000330432416 252096068 /nfs/dbraw/zinc/09/60/68/252096068.db2.gz OFEITOBNFQGAOK-JTQLQIEISA-N 1 2 271.317 -1.124 20 0 CAADLO O=C(CO)N1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC000330524091 252097235 /nfs/dbraw/zinc/09/72/35/252097235.db2.gz BNNSTHYNSYOUAI-UHFFFAOYSA-N 1 2 266.301 -1.064 20 0 CAADLO COCCCNC(=O)[C@H](C)[N@@H+]1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000330512592 252097406 /nfs/dbraw/zinc/09/74/06/252097406.db2.gz SPRAJNIWLVOBBN-UWVGGRQHSA-N 1 2 298.343 -1.236 20 0 CAADLO COCCCNC(=O)[C@H](C)[N@H+]1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000330512592 252097412 /nfs/dbraw/zinc/09/74/12/252097412.db2.gz SPRAJNIWLVOBBN-UWVGGRQHSA-N 1 2 298.343 -1.236 20 0 CAADLO COCCCNC(=O)[C@@H](C)[N@@H+]1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000330512594 252097731 /nfs/dbraw/zinc/09/77/31/252097731.db2.gz SPRAJNIWLVOBBN-ZJUUUORDSA-N 1 2 298.343 -1.236 20 0 CAADLO COCCCNC(=O)[C@@H](C)[N@H+]1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000330512594 252097736 /nfs/dbraw/zinc/09/77/36/252097736.db2.gz SPRAJNIWLVOBBN-ZJUUUORDSA-N 1 2 298.343 -1.236 20 0 CAADLO COCCCNC(=O)[C@@H](C)[N@@H+]1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000330512591 252098371 /nfs/dbraw/zinc/09/83/71/252098371.db2.gz SPRAJNIWLVOBBN-NXEZZACHSA-N 1 2 298.343 -1.236 20 0 CAADLO COCCCNC(=O)[C@@H](C)[N@H+]1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000330512591 252098372 /nfs/dbraw/zinc/09/83/72/252098372.db2.gz SPRAJNIWLVOBBN-NXEZZACHSA-N 1 2 298.343 -1.236 20 0 CAADLO CCCN(C)S(=O)(=O)NC[C@@H](O)C[NH+]1CCOCC1 ZINC000330475301 252098630 /nfs/dbraw/zinc/09/86/30/252098630.db2.gz IQKFYBPLMMDTPX-LLVKDONJSA-N 1 2 295.405 -1.144 20 0 CAADLO CNC(=O)C[N@H+](C)[C@@H](C)C(=O)N1CCN(C(C)=O)CC1 ZINC000330511406 252098697 /nfs/dbraw/zinc/09/86/97/252098697.db2.gz BULDVVGQMODEMZ-JTQLQIEISA-N 1 2 284.360 -1.257 20 0 CAADLO CNC(=O)C[N@@H+](C)[C@@H](C)C(=O)N1CCN(C(C)=O)CC1 ZINC000330511406 252098698 /nfs/dbraw/zinc/09/86/98/252098698.db2.gz BULDVVGQMODEMZ-JTQLQIEISA-N 1 2 284.360 -1.257 20 0 CAADLO CC(=O)N[C@H](C)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000330533967 252099278 /nfs/dbraw/zinc/09/92/78/252099278.db2.gz IMKNPESJOBVFBK-PWSUYJOCSA-N 1 2 287.360 -1.338 20 0 CAADLO CC(=O)N[C@@H](C)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000330533963 252099407 /nfs/dbraw/zinc/09/94/07/252099407.db2.gz IMKNPESJOBVFBK-CMPLNLGQSA-N 1 2 287.360 -1.338 20 0 CAADLO COC(=O)CNC(=O)[C@H](C)[N@@H+]1CC[C@H]2[C@@H](C1)NC(=O)N2C ZINC000330555140 252099478 /nfs/dbraw/zinc/09/94/78/252099478.db2.gz PBWJIKWFXINTHB-AEJSXWLSSA-N 1 2 298.343 -1.034 20 0 CAADLO COC(=O)CNC(=O)[C@H](C)[N@H+]1CC[C@H]2[C@@H](C1)NC(=O)N2C ZINC000330555140 252099482 /nfs/dbraw/zinc/09/94/82/252099482.db2.gz PBWJIKWFXINTHB-AEJSXWLSSA-N 1 2 298.343 -1.034 20 0 CAADLO CNS(=O)(=O)CCC[NH+]1CCN(C(=O)[C@@H](C)O)CC1 ZINC000330578977 252099586 /nfs/dbraw/zinc/09/95/86/252099586.db2.gz PPAKWMRLMCFMNT-SNVBAGLBSA-N 1 2 293.389 -1.549 20 0 CAADLO CC(=O)N[C@H](C)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000330533968 252099857 /nfs/dbraw/zinc/09/98/57/252099857.db2.gz IMKNPESJOBVFBK-ZYHUDNBSSA-N 1 2 287.360 -1.338 20 0 CAADLO CO[C@H]1C[C@@H](CO)[N@H+](CC(=O)N[C@H](C)C(=O)N(C)C)C1 ZINC000330533794 252099915 /nfs/dbraw/zinc/09/99/15/252099915.db2.gz IEVXJCRTSPXZHH-VWYCJHECSA-N 1 2 287.360 -1.339 20 0 CAADLO CO[C@H]1C[C@@H](CO)[N@@H+](CC(=O)N[C@H](C)C(=O)N(C)C)C1 ZINC000330533794 252099917 /nfs/dbraw/zinc/09/99/17/252099917.db2.gz IEVXJCRTSPXZHH-VWYCJHECSA-N 1 2 287.360 -1.339 20 0 CAADLO COC[C@H](O)C[NH+]1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC000330567840 252099936 /nfs/dbraw/zinc/09/99/36/252099936.db2.gz BOAILTZDEJKHQH-GFCCVEGCSA-N 1 2 299.371 -1.240 20 0 CAADLO CC(=O)N1CC[NH+](CCNC(=O)CN2CCOCC2)CC1 ZINC000330540806 252100085 /nfs/dbraw/zinc/10/00/85/252100085.db2.gz HQXQYFAKHYEOJI-UHFFFAOYSA-N 1 2 298.387 -1.401 20 0 CAADLO Cn1cccc(C(=O)N[C@H](CO)C[NH+]2CCOCC2)c1=O ZINC000330577217 252100166 /nfs/dbraw/zinc/10/01/66/252100166.db2.gz GWYFFDVKLJWMQL-NSHDSACASA-N 1 2 295.339 -1.192 20 0 CAADLO COC(=O)CNC(=O)[C@@H](C)[N@@H+]1CC[C@H](NC(N)=O)C1 ZINC000330531992 252100255 /nfs/dbraw/zinc/10/02/55/252100255.db2.gz SMYKNXXKHIBBSG-SFYZADRCSA-N 1 2 272.305 -1.179 20 0 CAADLO COC(=O)CNC(=O)[C@@H](C)[N@H+]1CC[C@H](NC(N)=O)C1 ZINC000330531992 252100259 /nfs/dbraw/zinc/10/02/59/252100259.db2.gz SMYKNXXKHIBBSG-SFYZADRCSA-N 1 2 272.305 -1.179 20 0 CAADLO C[C@H](C(=O)NC(N)=O)[N@H+](C)CC(=O)N1CCOCC1 ZINC000330575901 252100317 /nfs/dbraw/zinc/10/03/17/252100317.db2.gz GHRMBWIQANXHGW-MRVPVSSYSA-N 1 2 272.305 -1.226 20 0 CAADLO C[C@H](C(=O)NC(N)=O)[N@@H+](C)CC(=O)N1CCOCC1 ZINC000330575901 252100322 /nfs/dbraw/zinc/10/03/22/252100322.db2.gz GHRMBWIQANXHGW-MRVPVSSYSA-N 1 2 272.305 -1.226 20 0 CAADLO C[C@H]1COCC[N@@H+]1CCNC(=O)CN(C)S(C)(=O)=O ZINC000330613608 252101116 /nfs/dbraw/zinc/10/11/16/252101116.db2.gz ACYHGBUQYGYCSX-JTQLQIEISA-N 1 2 293.389 -1.285 20 0 CAADLO C[C@H]1COCC[N@H+]1CCNC(=O)CN(C)S(C)(=O)=O ZINC000330613608 252101118 /nfs/dbraw/zinc/10/11/18/252101118.db2.gz ACYHGBUQYGYCSX-JTQLQIEISA-N 1 2 293.389 -1.285 20 0 CAADLO O=C(CO)N1CC[NH+](C[C@H](O)CN2CCCC2=O)CC1 ZINC000330588164 252101160 /nfs/dbraw/zinc/10/11/60/252101160.db2.gz OJFBSCNKHWCZSX-NSHDSACASA-N 1 2 285.344 -1.894 20 0 CAADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)CN(C)S(C)(=O)=O ZINC000330613609 252101246 /nfs/dbraw/zinc/10/12/46/252101246.db2.gz ACYHGBUQYGYCSX-SNVBAGLBSA-N 1 2 293.389 -1.285 20 0 CAADLO C[C@@H]1COCC[N@H+]1CCNC(=O)CN(C)S(C)(=O)=O ZINC000330613609 252101249 /nfs/dbraw/zinc/10/12/49/252101249.db2.gz ACYHGBUQYGYCSX-SNVBAGLBSA-N 1 2 293.389 -1.285 20 0 CAADLO C[C@H](O)C(=O)N1CC[NH+](CCn2cncn2)CC1 ZINC000330580527 252101349 /nfs/dbraw/zinc/10/13/49/252101349.db2.gz QEQBXLZDJGALDS-JTQLQIEISA-N 1 2 253.306 -1.197 20 0 CAADLO CCS(=O)(=O)NCC[NH+]1CCC(O)(C(=O)OC)CC1 ZINC000330602923 252101699 /nfs/dbraw/zinc/10/16/99/252101699.db2.gz JHFJQJVVRLFJNY-UHFFFAOYSA-N 1 2 294.373 -1.074 20 0 CAADLO C[C@@H]1C[C@H](C(=O)N[C@@H](CO)C[NH+]2CCOCC2)CC(=O)N1 ZINC000330585730 252102379 /nfs/dbraw/zinc/10/23/79/252102379.db2.gz LOOZQRDPJDAFIM-GRYCIOLGSA-N 1 2 299.371 -1.290 20 0 CAADLO O=C(CO)N1CCN(C[C@@H](O)C[NH+]2CCOCC2)CC1 ZINC000330581396 252102385 /nfs/dbraw/zinc/10/23/85/252102385.db2.gz KYNVGPMVNIPPEE-GFCCVEGCSA-N 1 2 287.360 -2.184 20 0 CAADLO O=C(CO)N1CC[NH+](C[C@@H](O)CN2CCOCC2)CC1 ZINC000330581396 252102390 /nfs/dbraw/zinc/10/23/90/252102390.db2.gz KYNVGPMVNIPPEE-GFCCVEGCSA-N 1 2 287.360 -2.184 20 0 CAADLO O=C(CO)N1CC[NH+](CCCN2C(=O)CNC2=O)CC1 ZINC000330593307 252102531 /nfs/dbraw/zinc/10/25/31/252102531.db2.gz SIOXGDIYTMGASL-UHFFFAOYSA-N 1 2 284.316 -1.731 20 0 CAADLO CC(C)NC(=O)C[N@H+](C)CC(=O)N1C[C@H](O)C[C@@H]1CO ZINC000330695513 252103614 /nfs/dbraw/zinc/10/36/14/252103614.db2.gz CCUNTPDOAJCNED-GHMZBOCLSA-N 1 2 287.360 -1.603 20 0 CAADLO CC(C)NC(=O)C[N@@H+](C)CC(=O)N1C[C@H](O)C[C@@H]1CO ZINC000330695513 252103618 /nfs/dbraw/zinc/10/36/18/252103618.db2.gz CCUNTPDOAJCNED-GHMZBOCLSA-N 1 2 287.360 -1.603 20 0 CAADLO CC(C)NC(=O)C[N@H+](C)CC(=O)N1C[C@@H](O)C[C@H]1CO ZINC000330695515 252103785 /nfs/dbraw/zinc/10/37/85/252103785.db2.gz CCUNTPDOAJCNED-QWRGUYRKSA-N 1 2 287.360 -1.603 20 0 CAADLO CC(C)NC(=O)C[N@@H+](C)CC(=O)N1C[C@@H](O)C[C@H]1CO ZINC000330695515 252103789 /nfs/dbraw/zinc/10/37/89/252103789.db2.gz CCUNTPDOAJCNED-QWRGUYRKSA-N 1 2 287.360 -1.603 20 0 CAADLO COC(=O)CCC[NH+]1CCN(S(N)(=O)=O)CC1 ZINC000330691130 252103812 /nfs/dbraw/zinc/10/38/12/252103812.db2.gz XCIZSTUBYRJUOM-UHFFFAOYSA-N 1 2 265.335 -1.239 20 0 CAADLO CNS(=O)(=O)CCC[N@@H+]1C[C@H](O)C[C@H]1C(=O)OC ZINC000330691979 252104024 /nfs/dbraw/zinc/10/40/24/252104024.db2.gz GYTNQQVXHIBFIG-BDAKNGLRSA-N 1 2 280.346 -1.466 20 0 CAADLO CNS(=O)(=O)CCC[N@H+]1C[C@H](O)C[C@H]1C(=O)OC ZINC000330691979 252104026 /nfs/dbraw/zinc/10/40/26/252104026.db2.gz GYTNQQVXHIBFIG-BDAKNGLRSA-N 1 2 280.346 -1.466 20 0 CAADLO COC(=O)[C@H]1C[N@H+](C[C@](C)(O)C(=O)OC)CCO1 ZINC000330739135 252105101 /nfs/dbraw/zinc/10/51/01/252105101.db2.gz PRFWJLZYKVZFDK-KCJUWKMLSA-N 1 2 261.274 -1.216 20 0 CAADLO COC(=O)[C@H]1C[N@@H+](C[C@](C)(O)C(=O)OC)CCO1 ZINC000330739135 252105105 /nfs/dbraw/zinc/10/51/05/252105105.db2.gz PRFWJLZYKVZFDK-KCJUWKMLSA-N 1 2 261.274 -1.216 20 0 CAADLO COC(=O)CNC(=O)CN1CCn2cc[nH+]c2C1 ZINC000330787889 252105247 /nfs/dbraw/zinc/10/52/47/252105247.db2.gz XWLONAZVSRTVRR-UHFFFAOYSA-N 1 2 252.274 -1.012 20 0 CAADLO CCOC(=O)CC[NH+]1CCN(S(N)(=O)=O)CC1 ZINC000330730002 252105423 /nfs/dbraw/zinc/10/54/23/252105423.db2.gz JTUCMFSITMXDKF-UHFFFAOYSA-N 1 2 265.335 -1.239 20 0 CAADLO COC(=O)[C@@H]1C[N@H+](C[C@](C)(O)C(=O)OC)CCO1 ZINC000330739136 252105436 /nfs/dbraw/zinc/10/54/36/252105436.db2.gz PRFWJLZYKVZFDK-KWQFWETISA-N 1 2 261.274 -1.216 20 0 CAADLO COC(=O)[C@@H]1C[N@@H+](C[C@](C)(O)C(=O)OC)CCO1 ZINC000330739136 252105437 /nfs/dbraw/zinc/10/54/37/252105437.db2.gz PRFWJLZYKVZFDK-KWQFWETISA-N 1 2 261.274 -1.216 20 0 CAADLO CN(C)S(=O)(=O)CC(=O)NCCn1cc[nH+]c1 ZINC000330795488 252105522 /nfs/dbraw/zinc/10/55/22/252105522.db2.gz AODKSNNSDKNTIM-UHFFFAOYSA-N 1 2 260.319 -1.109 20 0 CAADLO CNC(=O)CN(C)S(=O)(=O)CCC[NH+]1CCOCC1 ZINC000330743301 252105561 /nfs/dbraw/zinc/10/55/61/252105561.db2.gz TZSDPUJVEQXWJZ-UHFFFAOYSA-N 1 2 293.389 -1.284 20 0 CAADLO COCC(=O)N1CC[NH+](C[C@@](C)(O)C(=O)OC)CC1 ZINC000330739697 252106142 /nfs/dbraw/zinc/10/61/42/252106142.db2.gz QFEYOUAHWYUSEV-GFCCVEGCSA-N 1 2 274.317 -1.299 20 0 CAADLO CNC(=O)[C@@H]1C[N@H+](CCCS(=O)(=O)N(C)C)CCO1 ZINC000330797992 252106214 /nfs/dbraw/zinc/10/62/14/252106214.db2.gz GFELMZCZRXSAPT-JTQLQIEISA-N 1 2 293.389 -1.285 20 0 CAADLO CNC(=O)[C@@H]1C[N@@H+](CCCS(=O)(=O)N(C)C)CCO1 ZINC000330797992 252106218 /nfs/dbraw/zinc/10/62/18/252106218.db2.gz GFELMZCZRXSAPT-JTQLQIEISA-N 1 2 293.389 -1.285 20 0 CAADLO CCC(=O)N[C@@H]1CCC[N@H+](CC(=O)N2CCNC(=O)C2)C1 ZINC000330774451 252106264 /nfs/dbraw/zinc/10/62/64/252106264.db2.gz XZJXSWWXIHVCGT-LLVKDONJSA-N 1 2 296.371 -1.065 20 0 CAADLO CCC(=O)N[C@@H]1CCC[N@@H+](CC(=O)N2CCNC(=O)C2)C1 ZINC000330774451 252106267 /nfs/dbraw/zinc/10/62/67/252106267.db2.gz XZJXSWWXIHVCGT-LLVKDONJSA-N 1 2 296.371 -1.065 20 0 CAADLO C[C@H](NC(=O)C[N@@H+]1CCSC[C@H]1CO)C(=O)N(C)C ZINC000330835096 252106995 /nfs/dbraw/zinc/10/69/95/252106995.db2.gz KIOQBOWNAPZSQU-VHSXEESVSA-N 1 2 289.401 -1.011 20 0 CAADLO C[C@H](NC(=O)C[N@H+]1CCSC[C@H]1CO)C(=O)N(C)C ZINC000330835096 252106997 /nfs/dbraw/zinc/10/69/97/252106997.db2.gz KIOQBOWNAPZSQU-VHSXEESVSA-N 1 2 289.401 -1.011 20 0 CAADLO C[C@@H](CNC(=O)CS(=O)(=O)N(C)C)[NH+]1CCOCC1 ZINC000330803642 252107173 /nfs/dbraw/zinc/10/71/73/252107173.db2.gz GJSONDIXCKHDRR-JTQLQIEISA-N 1 2 293.389 -1.285 20 0 CAADLO CNC(=O)[C@H]1C[N@H+](CCCS(=O)(=O)NC)CCO1 ZINC000330839714 252107845 /nfs/dbraw/zinc/10/78/45/252107845.db2.gz VVYSPJMIRUGGEV-SECBINFHSA-N 1 2 279.362 -1.628 20 0 CAADLO CNC(=O)[C@H]1C[N@@H+](CCCS(=O)(=O)NC)CCO1 ZINC000330839714 252107848 /nfs/dbraw/zinc/10/78/48/252107848.db2.gz VVYSPJMIRUGGEV-SECBINFHSA-N 1 2 279.362 -1.628 20 0 CAADLO CNC(=O)[C@@H]1C[N@H+](CCCS(=O)(=O)NC)CCO1 ZINC000330839727 252108009 /nfs/dbraw/zinc/10/80/09/252108009.db2.gz VVYSPJMIRUGGEV-VIFPVBQESA-N 1 2 279.362 -1.628 20 0 CAADLO CNC(=O)[C@@H]1C[N@@H+](CCCS(=O)(=O)NC)CCO1 ZINC000330839727 252108011 /nfs/dbraw/zinc/10/80/11/252108011.db2.gz VVYSPJMIRUGGEV-VIFPVBQESA-N 1 2 279.362 -1.628 20 0 CAADLO C[C@@H](NC(=O)C[N@@H+]1CCSC[C@@H]1CO)C(=O)N(C)C ZINC000330835097 252108136 /nfs/dbraw/zinc/10/81/36/252108136.db2.gz KIOQBOWNAPZSQU-ZJUUUORDSA-N 1 2 289.401 -1.011 20 0 CAADLO C[C@@H](NC(=O)C[N@H+]1CCSC[C@@H]1CO)C(=O)N(C)C ZINC000330835097 252108140 /nfs/dbraw/zinc/10/81/40/252108140.db2.gz KIOQBOWNAPZSQU-ZJUUUORDSA-N 1 2 289.401 -1.011 20 0 CAADLO COC(=O)[C@](C)(O)C[N@@H+]1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000330857324 252108220 /nfs/dbraw/zinc/10/82/20/252108220.db2.gz UJWWIDWEPGAFIS-RDDDGLTNSA-N 1 2 271.273 -1.854 20 0 CAADLO COC(=O)[C@](C)(O)C[N@H+]1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000330857324 252108223 /nfs/dbraw/zinc/10/82/23/252108223.db2.gz UJWWIDWEPGAFIS-RDDDGLTNSA-N 1 2 271.273 -1.854 20 0 CAADLO C[C@@H](NC(=O)C[N@H+](C)[C@]1(CO)CCOC1)C(=O)N(C)C ZINC000330886341 252108541 /nfs/dbraw/zinc/10/85/41/252108541.db2.gz DUGKKRXSKGQOOW-MFKMUULPSA-N 1 2 287.360 -1.338 20 0 CAADLO C[C@@H](NC(=O)C[N@@H+](C)[C@]1(CO)CCOC1)C(=O)N(C)C ZINC000330886341 252108544 /nfs/dbraw/zinc/10/85/44/252108544.db2.gz DUGKKRXSKGQOOW-MFKMUULPSA-N 1 2 287.360 -1.338 20 0 CAADLO CCn1cc(NC(=O)C(=O)N2CC[NH+](CCO)CC2)cn1 ZINC000330868752 252109287 /nfs/dbraw/zinc/10/92/87/252109287.db2.gz SQWNNIPKPFISSL-UHFFFAOYSA-N 1 2 295.343 -1.022 20 0 CAADLO C[C@@H](NC(=O)C[N@H+](C)[C@@]1(CO)CCOC1)C(=O)N(C)C ZINC000330886342 252109325 /nfs/dbraw/zinc/10/93/25/252109325.db2.gz DUGKKRXSKGQOOW-ZWNOBZJWSA-N 1 2 287.360 -1.338 20 0 CAADLO C[C@@H](NC(=O)C[N@@H+](C)[C@@]1(CO)CCOC1)C(=O)N(C)C ZINC000330886342 252109327 /nfs/dbraw/zinc/10/93/27/252109327.db2.gz DUGKKRXSKGQOOW-ZWNOBZJWSA-N 1 2 287.360 -1.338 20 0 CAADLO CCOC(=O)[C@@](C)(O)C[NH+]1CCN(C(=O)CO)CC1 ZINC000330914140 252109449 /nfs/dbraw/zinc/10/94/49/252109449.db2.gz IVRRBWBAONKIQJ-LBPRGKRZSA-N 1 2 274.317 -1.563 20 0 CAADLO CCOC(=O)[C@](C)(O)C[NH+]1CCN(S(C)(=O)=O)CC1 ZINC000330919893 252109514 /nfs/dbraw/zinc/10/95/14/252109514.db2.gz OUQXOYAYDSHRIK-LLVKDONJSA-N 1 2 294.373 -1.122 20 0 CAADLO CCOC(=O)[C@](C)(O)C[NH+]1CCN(C(=O)CO)CC1 ZINC000330914139 252109524 /nfs/dbraw/zinc/10/95/24/252109524.db2.gz IVRRBWBAONKIQJ-GFCCVEGCSA-N 1 2 274.317 -1.563 20 0 CAADLO CC(C)(O)CC(=O)NC[C@@H](O)C[NH+]1CCOCC1 ZINC000330969482 252111186 /nfs/dbraw/zinc/11/11/86/252111186.db2.gz JFSCQQBDTWQJKD-SNVBAGLBSA-N 1 2 260.334 -1.043 20 0 CAADLO COC(=O)[C@@H]1CNC(=O)CN1C(=O)Cn1cc[nH+]c1 ZINC000330972816 252112658 /nfs/dbraw/zinc/11/26/58/252112658.db2.gz OKSSXIXIEBMJBU-QMMMGPOBSA-N 1 2 266.257 -1.617 20 0 CAADLO COC(=O)CNC(=O)[C@@H](C)[N@@H+]1CCN2C(=O)NC[C@H]2C1 ZINC000331185683 252113181 /nfs/dbraw/zinc/11/31/81/252113181.db2.gz OMPPRYWZQPNDEJ-BDAKNGLRSA-N 1 2 284.316 -1.422 20 0 CAADLO COC(=O)CNC(=O)[C@@H](C)[N@H+]1CCN2C(=O)NC[C@H]2C1 ZINC000331185683 252113185 /nfs/dbraw/zinc/11/31/85/252113185.db2.gz OMPPRYWZQPNDEJ-BDAKNGLRSA-N 1 2 284.316 -1.422 20 0 CAADLO COC(=O)c1cn(CC(=O)NC[C@H]2C[N@H+](C)CCO2)nn1 ZINC000331030547 252113272 /nfs/dbraw/zinc/11/32/72/252113272.db2.gz FRMPRQQDNXPVCH-VIFPVBQESA-N 1 2 297.315 -1.489 20 0 CAADLO COC(=O)c1cn(CC(=O)NC[C@H]2C[N@@H+](C)CCO2)nn1 ZINC000331030547 252113275 /nfs/dbraw/zinc/11/32/75/252113275.db2.gz FRMPRQQDNXPVCH-VIFPVBQESA-N 1 2 297.315 -1.489 20 0 CAADLO COC(=O)CNC(=O)C[N@@H+]1C[C@H]2OCCN(C)[C@H]2C1 ZINC000331155184 252113384 /nfs/dbraw/zinc/11/33/84/252113384.db2.gz DDKXIXXICCUFML-VHSXEESVSA-N 1 2 271.317 -1.710 20 0 CAADLO COC(=O)CNC(=O)C[N@H+]1C[C@H]2OCCN(C)[C@H]2C1 ZINC000331155184 252113386 /nfs/dbraw/zinc/11/33/86/252113386.db2.gz DDKXIXXICCUFML-VHSXEESVSA-N 1 2 271.317 -1.710 20 0 CAADLO COC(=O)CNC(=O)CN1C[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000331155184 252113389 /nfs/dbraw/zinc/11/33/89/252113389.db2.gz DDKXIXXICCUFML-VHSXEESVSA-N 1 2 271.317 -1.710 20 0 CAADLO COC(=O)CNC(=O)CN1C[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000331155184 252113391 /nfs/dbraw/zinc/11/33/91/252113391.db2.gz DDKXIXXICCUFML-VHSXEESVSA-N 1 2 271.317 -1.710 20 0 CAADLO CCN(CC)S(=O)(=O)NC[C@H](O)C[NH+]1CCOCC1 ZINC000331185183 252113454 /nfs/dbraw/zinc/11/34/54/252113454.db2.gz IRZZEVYDENHBIM-NSHDSACASA-N 1 2 295.405 -1.144 20 0 CAADLO COC(=O)CCNC(=O)C[N@@H+]1CCN2C(=O)NC[C@H]2C1 ZINC000331157069 252113472 /nfs/dbraw/zinc/11/34/72/252113472.db2.gz DTURLZKNIDIQFU-VIFPVBQESA-N 1 2 284.316 -1.421 20 0 CAADLO COC(=O)CCNC(=O)C[N@H+]1CCN2C(=O)NC[C@H]2C1 ZINC000331157069 252113474 /nfs/dbraw/zinc/11/34/74/252113474.db2.gz DTURLZKNIDIQFU-VIFPVBQESA-N 1 2 284.316 -1.421 20 0 CAADLO COC(=O)CNC(=O)[C@H](C)[N@@H+]1CCN2C(=O)NC[C@H]2C1 ZINC000331185685 252113553 /nfs/dbraw/zinc/11/35/53/252113553.db2.gz OMPPRYWZQPNDEJ-IUCAKERBSA-N 1 2 284.316 -1.422 20 0 CAADLO COC(=O)CNC(=O)[C@H](C)[N@H+]1CCN2C(=O)NC[C@H]2C1 ZINC000331185685 252113555 /nfs/dbraw/zinc/11/35/55/252113555.db2.gz OMPPRYWZQPNDEJ-IUCAKERBSA-N 1 2 284.316 -1.422 20 0 CAADLO COC(=O)CNC(=O)C[N@H+]1C[C@@H]2[C@H](C1)OCCN2C ZINC000331155185 252113770 /nfs/dbraw/zinc/11/37/70/252113770.db2.gz DDKXIXXICCUFML-ZJUUUORDSA-N 1 2 271.317 -1.710 20 0 CAADLO COC(=O)CNC(=O)C[N@@H+]1C[C@@H]2[C@H](C1)OCCN2C ZINC000331155185 252113772 /nfs/dbraw/zinc/11/37/72/252113772.db2.gz DDKXIXXICCUFML-ZJUUUORDSA-N 1 2 271.317 -1.710 20 0 CAADLO COC(=O)CNC(=O)CN1C[C@@H]2[C@H](C1)OCC[N@@H+]2C ZINC000331155185 252113776 /nfs/dbraw/zinc/11/37/76/252113776.db2.gz DDKXIXXICCUFML-ZJUUUORDSA-N 1 2 271.317 -1.710 20 0 CAADLO COC(=O)CNC(=O)CN1C[C@@H]2[C@H](C1)OCC[N@H+]2C ZINC000331155185 252113779 /nfs/dbraw/zinc/11/37/79/252113779.db2.gz DDKXIXXICCUFML-ZJUUUORDSA-N 1 2 271.317 -1.710 20 0 CAADLO CCCNS(=O)(=O)NC[C@@H](O)C[NH+]1CCOCC1 ZINC000331168930 252113873 /nfs/dbraw/zinc/11/38/73/252113873.db2.gz TXMGWMRPKIBBDP-SNVBAGLBSA-N 1 2 281.378 -1.487 20 0 CAADLO COC(=O)CNC(=O)[C@H](C)[N@@H+]1CCN2C(=O)NC[C@@H]2C1 ZINC000331185684 252114134 /nfs/dbraw/zinc/11/41/34/252114134.db2.gz OMPPRYWZQPNDEJ-DTWKUNHWSA-N 1 2 284.316 -1.422 20 0 CAADLO COC(=O)CNC(=O)[C@H](C)[N@H+]1CCN2C(=O)NC[C@@H]2C1 ZINC000331185684 252114138 /nfs/dbraw/zinc/11/41/38/252114138.db2.gz OMPPRYWZQPNDEJ-DTWKUNHWSA-N 1 2 284.316 -1.422 20 0 CAADLO CCCNS(=O)(=O)NC[C@H](O)C[NH+]1CCOCC1 ZINC000331168929 252114518 /nfs/dbraw/zinc/11/45/18/252114518.db2.gz TXMGWMRPKIBBDP-JTQLQIEISA-N 1 2 281.378 -1.487 20 0 CAADLO CC[C@@H](O)C[NH+]1CCN(C(=O)CS(=O)(=O)NC)CC1 ZINC000331250330 252115069 /nfs/dbraw/zinc/11/50/69/252115069.db2.gz SIZVDBPKNCKVLH-SNVBAGLBSA-N 1 2 293.389 -1.549 20 0 CAADLO COC(=O)[C@H](C)CS(=O)(=O)N1CC[NH+](CCO)CC1 ZINC000331260178 252115128 /nfs/dbraw/zinc/11/51/28/252115128.db2.gz BBSAUPVUWXJAHL-SNVBAGLBSA-N 1 2 294.373 -1.265 20 0 CAADLO CNS(=O)(=O)CC(=O)N1CC[N@H+](CCOC)[C@H](C)C1 ZINC000331249804 252115754 /nfs/dbraw/zinc/11/57/54/252115754.db2.gz RZEHTHALLCTPBI-SNVBAGLBSA-N 1 2 293.389 -1.285 20 0 CAADLO CNS(=O)(=O)CC(=O)N1CC[N@@H+](CCOC)[C@H](C)C1 ZINC000331249804 252115760 /nfs/dbraw/zinc/11/57/60/252115760.db2.gz RZEHTHALLCTPBI-SNVBAGLBSA-N 1 2 293.389 -1.285 20 0 CAADLO CNS(=O)(=O)CC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000331243454 252115785 /nfs/dbraw/zinc/11/57/85/252115785.db2.gz ODAKJXKEZSJBDW-UHFFFAOYSA-N 1 2 293.389 -1.237 20 0 CAADLO CNS(=O)(=O)CC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000331243454 252115789 /nfs/dbraw/zinc/11/57/89/252115789.db2.gz ODAKJXKEZSJBDW-UHFFFAOYSA-N 1 2 293.389 -1.237 20 0 CAADLO CNS(=O)(=O)CC(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000331234184 252115842 /nfs/dbraw/zinc/11/58/42/252115842.db2.gz JLCNDDSGUZNTHO-UWVGGRQHSA-N 1 2 293.389 -1.239 20 0 CAADLO CNS(=O)(=O)CC(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000331234181 252115962 /nfs/dbraw/zinc/11/59/62/252115962.db2.gz JLCNDDSGUZNTHO-NXEZZACHSA-N 1 2 293.389 -1.239 20 0 CAADLO CNS(=O)(=O)CC(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000331218751 252115993 /nfs/dbraw/zinc/11/59/93/252115993.db2.gz AAODLRVSTSZEEP-SECBINFHSA-N 1 2 279.362 -1.628 20 0 CAADLO CNS(=O)(=O)CC(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000331218751 252115995 /nfs/dbraw/zinc/11/59/95/252115995.db2.gz AAODLRVSTSZEEP-SECBINFHSA-N 1 2 279.362 -1.628 20 0 CAADLO CNS(=O)(=O)CC(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000331249797 252116013 /nfs/dbraw/zinc/11/60/13/252116013.db2.gz RYINARHEJAGRFW-VIFPVBQESA-N 1 2 279.362 -1.628 20 0 CAADLO COC(=O)CNC(=O)[C@H](C)[N@@H+]1C[C@@H]2OCCN(C)[C@H]2C1 ZINC000331203545 252116205 /nfs/dbraw/zinc/11/62/05/252116205.db2.gz RKUTYGQPCOAEDM-DCAQKATOSA-N 1 2 285.344 -1.321 20 0 CAADLO COC(=O)CNC(=O)[C@H](C)[N@H+]1C[C@@H]2OCCN(C)[C@H]2C1 ZINC000331203545 252116207 /nfs/dbraw/zinc/11/62/07/252116207.db2.gz RKUTYGQPCOAEDM-DCAQKATOSA-N 1 2 285.344 -1.321 20 0 CAADLO COC(=O)CNC(=O)[C@H](C)N1C[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000331203545 252116213 /nfs/dbraw/zinc/11/62/13/252116213.db2.gz RKUTYGQPCOAEDM-DCAQKATOSA-N 1 2 285.344 -1.321 20 0 CAADLO COC(=O)CNC(=O)[C@H](C)N1C[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000331203545 252116219 /nfs/dbraw/zinc/11/62/19/252116219.db2.gz RKUTYGQPCOAEDM-DCAQKATOSA-N 1 2 285.344 -1.321 20 0 CAADLO C[N@@H+](CC(N)=O)C[C@@H]1CN(C(=O)[C@H]2CNC(=O)C2)CCO1 ZINC000331253994 252116303 /nfs/dbraw/zinc/11/63/03/252116303.db2.gz WGGZRRJJWSBHTK-NXEZZACHSA-N 1 2 298.343 -1.183 20 0 CAADLO C[N@H+](CC(N)=O)C[C@@H]1CN(C(=O)[C@H]2CNC(=O)C2)CCO1 ZINC000331253994 252116306 /nfs/dbraw/zinc/11/63/06/252116306.db2.gz WGGZRRJJWSBHTK-NXEZZACHSA-N 1 2 298.343 -1.183 20 0 CAADLO CNS(=O)(=O)CC(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000331234198 252116467 /nfs/dbraw/zinc/11/64/67/252116467.db2.gz JLCNDDSGUZNTHO-ZJUUUORDSA-N 1 2 293.389 -1.239 20 0 CAADLO CCOCC[NH+]1CCN(C(=O)CS(=O)(=O)NC)CC1 ZINC000331234958 252116575 /nfs/dbraw/zinc/11/65/75/252116575.db2.gz JYNYOTYGVCCIHH-UHFFFAOYSA-N 1 2 293.389 -1.284 20 0 CAADLO COC(=O)c1cn(CC(=O)N2CC[NH+](CCO)CC2)nn1 ZINC000331302647 252117036 /nfs/dbraw/zinc/11/70/36/252117036.db2.gz SGWLFPVJHVEKQV-UHFFFAOYSA-N 1 2 297.315 -1.799 20 0 CAADLO COC(=O)[C@H](O)C1CC[NH+](Cc2nnnn2C)CC1 ZINC000331271430 252117632 /nfs/dbraw/zinc/11/76/32/252117632.db2.gz NFHLNYJMAIWUEE-SNVBAGLBSA-N 1 2 269.305 -1.044 20 0 CAADLO Cn1cc(S(=O)(=O)NCC[NH+]2C[C@H](O)[C@@H](O)C2)cn1 ZINC000331284249 252117653 /nfs/dbraw/zinc/11/76/53/252117653.db2.gz FLJCWYZHZNKHPC-UWVGGRQHSA-N 1 2 290.345 -2.264 20 0 CAADLO COC(=O)[C@H]1[C@H](O)CCC[N@@H+]1CCN1C(=O)CNC1=O ZINC000331281447 252118051 /nfs/dbraw/zinc/11/80/51/252118051.db2.gz CFCHKXMJFNOHJY-PSASIEDQSA-N 1 2 285.300 -1.259 20 0 CAADLO COC(=O)[C@H]1[C@H](O)CCC[N@H+]1CCN1C(=O)CNC1=O ZINC000331281447 252118052 /nfs/dbraw/zinc/11/80/52/252118052.db2.gz CFCHKXMJFNOHJY-PSASIEDQSA-N 1 2 285.300 -1.259 20 0 CAADLO C[C@@H](NS(C)(=O)=O)C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000340728532 252121018 /nfs/dbraw/zinc/12/10/18/252121018.db2.gz YHMGBJSTIJRQTK-NXEZZACHSA-N 1 2 293.389 -1.239 20 0 CAADLO C[C@@H](NS(C)(=O)=O)C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000340728532 252121023 /nfs/dbraw/zinc/12/10/23/252121023.db2.gz YHMGBJSTIJRQTK-NXEZZACHSA-N 1 2 293.389 -1.239 20 0 CAADLO CC(C)Nc1nc(N2CC[C@H](CO)C2)nc(NCCO)[nH+]1 ZINC000342370491 252122358 /nfs/dbraw/zinc/12/23/58/252122358.db2.gz OQJSZPZPNHDXBF-JTQLQIEISA-N 1 2 296.375 -1.242 20 0 CAADLO CC(C)Nc1nc(NCCO)[nH+]c(N2CC[C@H](CO)C2)n1 ZINC000342370491 252122363 /nfs/dbraw/zinc/12/23/63/252122363.db2.gz OQJSZPZPNHDXBF-JTQLQIEISA-N 1 2 296.375 -1.242 20 0 CAADLO CC(C)Nc1nc(NCCO)nc(N2CC[C@H](CO)C2)[nH+]1 ZINC000342370491 252122364 /nfs/dbraw/zinc/12/23/64/252122364.db2.gz OQJSZPZPNHDXBF-JTQLQIEISA-N 1 2 296.375 -1.242 20 0 CAADLO CC(C)Nc1nc(NCCO)[nH+]c(NC[C@@H](C)CCO)n1 ZINC000342417760 252122403 /nfs/dbraw/zinc/12/24/03/252122403.db2.gz VTXCBOZZIADQEL-JTQLQIEISA-N 1 2 298.391 -1.208 20 0 CAADLO CC(C)Nc1nc(NCCO)nc(NC[C@@H](C)CCO)[nH+]1 ZINC000342417760 252122407 /nfs/dbraw/zinc/12/24/07/252122407.db2.gz VTXCBOZZIADQEL-JTQLQIEISA-N 1 2 298.391 -1.208 20 0 CAADLO CC(C)Nc1nc(NC[C@@H](C)CCO)nc(NCCO)[nH+]1 ZINC000342417760 252122410 /nfs/dbraw/zinc/12/24/10/252122410.db2.gz VTXCBOZZIADQEL-JTQLQIEISA-N 1 2 298.391 -1.208 20 0 CAADLO CNC(=O)N[C@H]1CC[N@H+](CC(=O)NC(=O)NC2CC2)C1 ZINC000342371211 252122647 /nfs/dbraw/zinc/12/26/47/252122647.db2.gz ULFFIRYXPPRLHK-VIFPVBQESA-N 1 2 283.332 -1.022 20 0 CAADLO CNC(=O)N[C@H]1CC[N@@H+](CC(=O)NC(=O)NC2CC2)C1 ZINC000342371211 252122655 /nfs/dbraw/zinc/12/26/55/252122655.db2.gz ULFFIRYXPPRLHK-VIFPVBQESA-N 1 2 283.332 -1.022 20 0 CAADLO CS(=O)(=O)N[C@H]1CC[N@H+](CC(=O)N2CCNC2=O)C1 ZINC000342447144 252122721 /nfs/dbraw/zinc/12/27/21/252122721.db2.gz LXKWZQASESRFLU-QMMMGPOBSA-N 1 2 290.345 -1.838 20 0 CAADLO CS(=O)(=O)N[C@H]1CC[N@@H+](CC(=O)N2CCNC2=O)C1 ZINC000342447144 252122727 /nfs/dbraw/zinc/12/27/27/252122727.db2.gz LXKWZQASESRFLU-QMMMGPOBSA-N 1 2 290.345 -1.838 20 0 CAADLO CC(C)Nc1nc(N[C@H](CO)C(C)C)nc(NCCO)[nH+]1 ZINC000342589039 252124831 /nfs/dbraw/zinc/12/48/31/252124831.db2.gz YDIBJZWESABNQR-SNVBAGLBSA-N 1 2 298.391 -1.209 20 0 CAADLO CC(C)Nc1nc(NCCO)[nH+]c(N[C@H](CO)C(C)C)n1 ZINC000342589039 252124835 /nfs/dbraw/zinc/12/48/35/252124835.db2.gz YDIBJZWESABNQR-SNVBAGLBSA-N 1 2 298.391 -1.209 20 0 CAADLO CC(C)Nc1nc(NCCO)nc(N[C@H](CO)C(C)C)[nH+]1 ZINC000342589039 252124839 /nfs/dbraw/zinc/12/48/39/252124839.db2.gz YDIBJZWESABNQR-SNVBAGLBSA-N 1 2 298.391 -1.209 20 0 CAADLO C[N@@H+]1CCO[C@H](CNC(=O)C2=NNC(=O)CC2)C1 ZINC000074884839 252077165 /nfs/dbraw/zinc/07/71/65/252077165.db2.gz LWMINFGOMXLABU-MRVPVSSYSA-N 1 2 254.290 -1.301 20 0 CAADLO C[N@H+]1CCO[C@H](CNC(=O)C2=NNC(=O)CC2)C1 ZINC000074884839 252077169 /nfs/dbraw/zinc/07/71/69/252077169.db2.gz LWMINFGOMXLABU-MRVPVSSYSA-N 1 2 254.290 -1.301 20 0 CAADLO C[C@@H](C(=O)N(C)CC(=O)NC1CC1)[N@@H+]1CCNC(=O)CC1 ZINC000065955165 252077289 /nfs/dbraw/zinc/07/72/89/252077289.db2.gz NUGAUKQGGYXHFL-JTQLQIEISA-N 1 2 296.371 -1.066 20 0 CAADLO C[C@@H](C(=O)N(C)CC(=O)NC1CC1)[N@H+]1CCNC(=O)CC1 ZINC000065955165 252077295 /nfs/dbraw/zinc/07/72/95/252077295.db2.gz NUGAUKQGGYXHFL-JTQLQIEISA-N 1 2 296.371 -1.066 20 0 CAADLO CN(C)C(=O)CN(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000073020735 252077657 /nfs/dbraw/zinc/07/76/57/252077657.db2.gz FAHDQUIFKQWLAG-LLVKDONJSA-N 1 2 259.350 -1.301 20 0 CAADLO CCOC[C@H](O)C[NH+]1CCN(S(C)(=O)=O)CC1 ZINC000069277313 252077853 /nfs/dbraw/zinc/07/78/53/252077853.db2.gz RUCQGYOBELAWHX-SNVBAGLBSA-N 1 2 266.363 -1.039 20 0 CAADLO CN(C)C(=O)C[N@@H+]1CCCN(C(=O)[C@H]2CCC(=O)N2)CC1 ZINC000073807632 252077893 /nfs/dbraw/zinc/07/78/93/252077893.db2.gz MVEXWASUBNCEOW-LLVKDONJSA-N 1 2 296.371 -1.113 20 0 CAADLO CN(C)C(=O)C[N@H+]1CCCN(C(=O)[C@H]2CCC(=O)N2)CC1 ZINC000073807632 252077897 /nfs/dbraw/zinc/07/78/97/252077897.db2.gz MVEXWASUBNCEOW-LLVKDONJSA-N 1 2 296.371 -1.113 20 0 CAADLO CC(=O)N1CCN(C(=O)[C@H](C)[N@@H+]2CCNC(=O)CC2)CC1 ZINC000068334189 252078386 /nfs/dbraw/zinc/07/83/86/252078386.db2.gz CFBUIMMBOOVRJS-NSHDSACASA-N 1 2 296.371 -1.113 20 0 CAADLO CC(=O)N1CCN(C(=O)[C@H](C)[N@H+]2CCNC(=O)CC2)CC1 ZINC000068334189 252078389 /nfs/dbraw/zinc/07/83/89/252078389.db2.gz CFBUIMMBOOVRJS-NSHDSACASA-N 1 2 296.371 -1.113 20 0 CAADLO CN(C)C(=O)CN(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000073020734 252078407 /nfs/dbraw/zinc/07/84/07/252078407.db2.gz FAHDQUIFKQWLAG-NSHDSACASA-N 1 2 259.350 -1.301 20 0 CAADLO CC(=O)N1CCN(C[C@H](O)C[NH+]2CCOCC2)CC1 ZINC000072751417 252078514 /nfs/dbraw/zinc/07/85/14/252078514.db2.gz XUWMGPCHNQMXKP-ZDUSSCGKSA-N 1 2 271.361 -1.156 20 0 CAADLO COCCCS(=O)(=O)N1CC[NH+](CCO)CC1 ZINC000071236491 252079167 /nfs/dbraw/zinc/07/91/67/252079167.db2.gz NYNYZRQZLOOLTF-UHFFFAOYSA-N 1 2 266.363 -1.037 20 0 CAADLO NC(=O)[C@H]1CN(C(=O)[C@@H]2CC(F)(F)C[NH2+]2)CCO1 ZINC000263065347 252079873 /nfs/dbraw/zinc/07/98/73/252079873.db2.gz VVYMXWLUJFZYEU-NKWVEPMBSA-N 1 2 263.244 -1.304 20 0 CAADLO NC(=O)[C@@H]1CN(C(=O)[C@H]2CC(F)(F)C[NH2+]2)CCO1 ZINC000263065360 252079941 /nfs/dbraw/zinc/07/99/41/252079941.db2.gz VVYMXWLUJFZYEU-RQJHMYQMSA-N 1 2 263.244 -1.304 20 0 CAADLO O=C(CNC(=O)[C@@H]1CC(F)(F)C[NH2+]1)N1CCOCC1 ZINC000262894894 252080382 /nfs/dbraw/zinc/08/03/82/252080382.db2.gz CXBFCZXPSGHOCH-QMMMGPOBSA-N 1 2 277.271 -1.041 20 0 CAADLO COC(=O)[C@@H]1C[C@@H]1C(=O)NC[C@@H](O)C[NH+]1CCOCC1 ZINC000342529268 252125453 /nfs/dbraw/zinc/12/54/53/252125453.db2.gz OMMQBDIVLZYSID-OUAUKWLOSA-N 1 2 286.328 -1.395 20 0 CAADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)CN1C(=O)C(=O)N(C)C1=O ZINC000264966490 252081321 /nfs/dbraw/zinc/08/13/21/252081321.db2.gz GFIBHOKYJLQDGW-QMMMGPOBSA-N 1 2 293.283 -1.192 20 0 CAADLO OCC(CO)Nc1nc(NC(CO)CO)c(Cl)c[nH+]1 ZINC000269014406 252081509 /nfs/dbraw/zinc/08/15/09/252081509.db2.gz BJRZLFJIQAHMRM-UHFFFAOYSA-N 1 2 292.723 -1.340 20 0 CAADLO CC(C)NC(=O)C(=O)N1CC[NH+](CCn2cncn2)CC1 ZINC000264167945 252082028 /nfs/dbraw/zinc/08/20/28/252082028.db2.gz ZKTJNRFLZWAULH-UHFFFAOYSA-N 1 2 294.359 -1.053 20 0 CAADLO C[C@H](Cn1cc[nH+]c1)NC(=O)CN1C(=O)C(=O)N(C)C1=O ZINC000264966489 252082097 /nfs/dbraw/zinc/08/20/97/252082097.db2.gz GFIBHOKYJLQDGW-MRVPVSSYSA-N 1 2 293.283 -1.192 20 0 CAADLO CNC(=O)[C@@H]1CCC[N@@H+]1CC(=O)N1CCNC(=O)C1 ZINC000299089249 252086410 /nfs/dbraw/zinc/08/64/10/252086410.db2.gz LYKCNCYWRLKNRU-VIFPVBQESA-N 1 2 268.317 -1.845 20 0 CAADLO CNC(=O)[C@@H]1CCC[N@H+]1CC(=O)N1CCNC(=O)C1 ZINC000299089249 252086416 /nfs/dbraw/zinc/08/64/16/252086416.db2.gz LYKCNCYWRLKNRU-VIFPVBQESA-N 1 2 268.317 -1.845 20 0 CAADLO C[C@@H]1CO[C@@H](CO)C[N@@H+]1CCS(=O)(=O)N(C)C ZINC000310291422 252086939 /nfs/dbraw/zinc/08/69/39/252086939.db2.gz KPUZGXCSLIDONK-NXEZZACHSA-N 1 2 266.363 -1.041 20 0 CAADLO C[C@@H]1CO[C@@H](CO)C[N@H+]1CCS(=O)(=O)N(C)C ZINC000310291422 252086944 /nfs/dbraw/zinc/08/69/44/252086944.db2.gz KPUZGXCSLIDONK-NXEZZACHSA-N 1 2 266.363 -1.041 20 0 CAADLO COC(=O)CNC(=O)C[N@H+](C)[C@@H]1CCN(C)C1=O ZINC000352659816 252139056 /nfs/dbraw/zinc/13/90/56/252139056.db2.gz OLYCDJLVCGGQET-MRVPVSSYSA-N 1 2 257.290 -1.562 20 0 CAADLO COC(=O)CNC(=O)C[N@@H+](C)[C@@H]1CCN(C)C1=O ZINC000352659816 252139057 /nfs/dbraw/zinc/13/90/57/252139057.db2.gz OLYCDJLVCGGQET-MRVPVSSYSA-N 1 2 257.290 -1.562 20 0 CAADLO NC(=O)NCC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000356652742 252143493 /nfs/dbraw/zinc/14/34/93/252143493.db2.gz VBEYKPRVLVAJTN-SNVBAGLBSA-N 1 2 270.333 -1.022 20 0 CAADLO CCNS(=O)(=O)[C@@H]1CC[N@H+](CC(=O)NC(N)=O)C1 ZINC000356986868 252145275 /nfs/dbraw/zinc/14/52/75/252145275.db2.gz YCGVVATVLSMWLK-SSDOTTSWSA-N 1 2 278.334 -1.805 20 0 CAADLO CCNS(=O)(=O)[C@@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC000356986868 252145279 /nfs/dbraw/zinc/14/52/79/252145279.db2.gz YCGVVATVLSMWLK-SSDOTTSWSA-N 1 2 278.334 -1.805 20 0 CAADLO O=C(CN1CC[NH2+]CC1=O)NCCCC(=O)NC1CC1 ZINC000357386708 252149345 /nfs/dbraw/zinc/14/93/45/252149345.db2.gz YWZQVIQRFVNGJO-UHFFFAOYSA-N 1 2 282.344 -1.407 20 0 CAADLO CCN1CCN(CC(=O)NCc2[nH]cc[nH+]2)C(=O)C1=O ZINC000357564829 252150343 /nfs/dbraw/zinc/15/03/43/252150343.db2.gz JATMQJFOBMDNHA-UHFFFAOYSA-N 1 2 279.300 -1.283 20 0 CAADLO CC(C)(C(N)=O)[NH+]1CCN(C(=O)[C@H]2CCC(=O)NC2)CC1 ZINC000357373720 252150449 /nfs/dbraw/zinc/15/04/49/252150449.db2.gz ZXOCXJCFHMSTTK-JTQLQIEISA-N 1 2 296.371 -1.079 20 0 CAADLO COCC[N@H+](CCCS(N)(=O)=O)CC(=O)N(C)C ZINC000357684870 252151556 /nfs/dbraw/zinc/15/15/56/252151556.db2.gz MCXXWQDLNUUZRC-UHFFFAOYSA-N 1 2 281.378 -1.298 20 0 CAADLO COCC[N@@H+](CCCS(N)(=O)=O)CC(=O)N(C)C ZINC000357684870 252151558 /nfs/dbraw/zinc/15/15/58/252151558.db2.gz MCXXWQDLNUUZRC-UHFFFAOYSA-N 1 2 281.378 -1.298 20 0 CAADLO CC(C)NC(=O)C[N@H+](C)CC(=O)NC(C)(CO)CO ZINC000357726048 252151734 /nfs/dbraw/zinc/15/17/34/252151734.db2.gz FLOBVETXLUIXJG-UHFFFAOYSA-N 1 2 275.349 -1.698 20 0 CAADLO CC(C)NC(=O)C[N@@H+](C)CC(=O)NC(C)(CO)CO ZINC000357726048 252151737 /nfs/dbraw/zinc/15/17/37/252151737.db2.gz FLOBVETXLUIXJG-UHFFFAOYSA-N 1 2 275.349 -1.698 20 0 CAADLO COCc1nc(C(=O)NC[C@H]2C[NH+]3CCN2CC3)no1 ZINC000359225379 252159898 /nfs/dbraw/zinc/15/98/98/252159898.db2.gz SQISBXAVUXIUDC-VIFPVBQESA-N 1 2 281.316 -1.054 20 0 CAADLO CNC(=O)CN(C)c1nc(C)[nH+]c(N(C)CC(=O)NC)n1 ZINC000359327993 252160954 /nfs/dbraw/zinc/16/09/54/252160954.db2.gz HXPSKGVWMGBGLV-UHFFFAOYSA-N 1 2 295.347 -1.456 20 0 CAADLO CNC(=O)CN(C)c1cc(N2CCN(C)C(=O)C2)nc[nH+]1 ZINC000359328548 252161166 /nfs/dbraw/zinc/16/11/66/252161166.db2.gz JDSBYAOMAWTEBO-UHFFFAOYSA-N 1 2 292.343 -1.063 20 0 CAADLO CNC(=O)CN(C)c1cc(N2CCN(C)C(=O)C2)[nH+]cn1 ZINC000359328548 252161169 /nfs/dbraw/zinc/16/11/69/252161169.db2.gz JDSBYAOMAWTEBO-UHFFFAOYSA-N 1 2 292.343 -1.063 20 0 CAADLO C[C@@H](C(=O)N1CCOCC1)[NH+]1CCN(C(N)=O)CC1 ZINC000359360924 252161672 /nfs/dbraw/zinc/16/16/72/252161672.db2.gz MZQLUZLSKYSSOP-JTQLQIEISA-N 1 2 270.333 -1.070 20 0 CAADLO C[N@@H+]1CCO[C@H]2CN(C(=O)CN3CN=NC3=O)C[C@H]21 ZINC000359783047 252162623 /nfs/dbraw/zinc/16/26/23/252162623.db2.gz AUZFPAKMQDYQRH-BDAKNGLRSA-N 1 2 267.289 -1.475 20 0 CAADLO C[N@H+]1CCO[C@H]2CN(C(=O)CN3CN=NC3=O)C[C@H]21 ZINC000359783047 252162625 /nfs/dbraw/zinc/16/26/25/252162625.db2.gz AUZFPAKMQDYQRH-BDAKNGLRSA-N 1 2 267.289 -1.475 20 0 CAADLO COCC[NH+]1CCN(S(=O)(=O)c2cnnn2C)CC1 ZINC000359706990 252162796 /nfs/dbraw/zinc/16/27/96/252162796.db2.gz PEELTUNGIYRPGZ-UHFFFAOYSA-N 1 2 289.361 -1.232 20 0 CAADLO CNC(=O)[C@@H]1C[N@@H+]([C@H](C)C(=O)NCCCOC)CCO1 ZINC000359628538 252163322 /nfs/dbraw/zinc/16/33/22/252163322.db2.gz ACWOBCNPDFQTKB-MNOVXSKESA-N 1 2 287.360 -1.026 20 0 CAADLO CNC(=O)[C@@H]1C[N@H+]([C@H](C)C(=O)NCCCOC)CCO1 ZINC000359628538 252163327 /nfs/dbraw/zinc/16/33/27/252163327.db2.gz ACWOBCNPDFQTKB-MNOVXSKESA-N 1 2 287.360 -1.026 20 0 CAADLO CNC(=O)CCNc1nc(C)[nH+]c(NCCC(=O)NC)n1 ZINC000359562681 252163553 /nfs/dbraw/zinc/16/35/53/252163553.db2.gz GLAIBBLJWIYLTB-UHFFFAOYSA-N 1 2 295.347 -1.880 20 0 CAADLO C[N@@H+]1CCO[C@H](CNC(=O)CN2CN=NC2=O)C1 ZINC000359848256 252164782 /nfs/dbraw/zinc/16/47/82/252164782.db2.gz XSMPMRTYOOQJDC-MRVPVSSYSA-N 1 2 255.278 -1.570 20 0 CAADLO C[N@H+]1CCO[C@H](CNC(=O)CN2CN=NC2=O)C1 ZINC000359848256 252164787 /nfs/dbraw/zinc/16/47/87/252164787.db2.gz XSMPMRTYOOQJDC-MRVPVSSYSA-N 1 2 255.278 -1.570 20 0 CAADLO CNc1nc(N(C)C[C@H](C)O)nc(N(C)C[C@@H](C)O)[nH+]1 ZINC000360111356 252164990 /nfs/dbraw/zinc/16/49/90/252164990.db2.gz SNNYQNGZNRIQCK-DTORHVGOSA-N 1 2 284.364 -1.031 20 0 CAADLO CNc1nc(N(C)C[C@@H](C)O)nc(N(C)C[C@H](C)O)[nH+]1 ZINC000360111356 252164995 /nfs/dbraw/zinc/16/49/95/252164995.db2.gz SNNYQNGZNRIQCK-DTORHVGOSA-N 1 2 284.364 -1.031 20 0 CAADLO O=C(CN1CN=NC1=O)NCC[NH+]1CCOCC1 ZINC000359832775 252165343 /nfs/dbraw/zinc/16/53/43/252165343.db2.gz MHYGWDHLOHAZCK-UHFFFAOYSA-N 1 2 255.278 -1.568 20 0 CAADLO C[N@@H+]1CCO[C@@H](CNC(=O)CN2CN=NC2=O)C1 ZINC000359848262 252165471 /nfs/dbraw/zinc/16/54/71/252165471.db2.gz XSMPMRTYOOQJDC-QMMMGPOBSA-N 1 2 255.278 -1.570 20 0 CAADLO C[N@H+]1CCO[C@@H](CNC(=O)CN2CN=NC2=O)C1 ZINC000359848262 252165472 /nfs/dbraw/zinc/16/54/72/252165472.db2.gz XSMPMRTYOOQJDC-QMMMGPOBSA-N 1 2 255.278 -1.570 20 0 CAADLO O=C(C(=O)N1CC[NH+]([C@@H]2COC[C@H]2O)CC1)N1CCCC1 ZINC000361293868 252171458 /nfs/dbraw/zinc/17/14/58/252171458.db2.gz BALLFEYZCIROTJ-VXGBXAGGSA-N 1 2 297.355 -1.487 20 0 CAADLO COCCS(=O)(=O)NC[C@@](C)(O)C[NH+]1CCOCC1 ZINC000360438037 252166287 /nfs/dbraw/zinc/16/62/87/252166287.db2.gz PEGSNXYPFRRDJP-LLVKDONJSA-N 1 2 296.389 -1.365 20 0 CAADLO NC(=O)COCCNC(=O)C1([NH+]2CCOCC2)CCC1 ZINC000360534049 252168880 /nfs/dbraw/zinc/16/88/80/252168880.db2.gz XCKLJYYWBPMUBH-UHFFFAOYSA-N 1 2 285.344 -1.141 20 0 CAADLO CN(C)S(=O)(=O)CCNC(=O)Cn1cc[nH+]c1 ZINC000360626370 252168968 /nfs/dbraw/zinc/16/89/68/252168968.db2.gz FWTALPQELGRMRC-UHFFFAOYSA-N 1 2 260.319 -1.109 20 0 CAADLO Cc1c[nH+]c(CN2CCN3C(=O)C(=O)NC[C@H]3C2)n1C ZINC000342778089 252127817 /nfs/dbraw/zinc/12/78/17/252127817.db2.gz JVOOOODSSAUFTO-JTQLQIEISA-N 1 2 277.328 -1.129 20 0 CAADLO CCn1cc(C[N@H+](CCO)CC(=O)NC(N)=O)cn1 ZINC000361358598 252172419 /nfs/dbraw/zinc/17/24/19/252172419.db2.gz YPOFNNFRAASTMZ-UHFFFAOYSA-N 1 2 269.305 -1.108 20 0 CAADLO CCn1cc(C[N@@H+](CCO)CC(=O)NC(N)=O)cn1 ZINC000361358598 252172422 /nfs/dbraw/zinc/17/24/22/252172422.db2.gz YPOFNNFRAASTMZ-UHFFFAOYSA-N 1 2 269.305 -1.108 20 0 CAADLO O=C(C(=O)N1CC[NH+]([C@H]2COC[C@H]2O)CC1)N1CCCC1 ZINC000361293866 252172453 /nfs/dbraw/zinc/17/24/53/252172453.db2.gz BALLFEYZCIROTJ-NWDGAFQWSA-N 1 2 297.355 -1.487 20 0 CAADLO CCCNC(=O)CN(C)C(=O)C[N@@H+]1CC[C@@H](NC(N)=O)C1 ZINC000342871216 252129723 /nfs/dbraw/zinc/12/97/23/252129723.db2.gz CVAYBKYMSOWIQN-SNVBAGLBSA-N 1 2 299.375 -1.286 20 0 CAADLO CCCNC(=O)CN(C)C(=O)C[N@H+]1CC[C@@H](NC(N)=O)C1 ZINC000342871216 252129726 /nfs/dbraw/zinc/12/97/26/252129726.db2.gz CVAYBKYMSOWIQN-SNVBAGLBSA-N 1 2 299.375 -1.286 20 0 CAADLO CCOCCNC(=O)C[N@@H+]1CC[C@H](NC(N)=O)C1 ZINC000342872586 252130011 /nfs/dbraw/zinc/13/00/11/252130011.db2.gz DBQCLNAHMANDOI-VIFPVBQESA-N 1 2 258.322 -1.118 20 0 CAADLO CCOCCNC(=O)C[N@H+]1CC[C@H](NC(N)=O)C1 ZINC000342872586 252130013 /nfs/dbraw/zinc/13/00/13/252130013.db2.gz DBQCLNAHMANDOI-VIFPVBQESA-N 1 2 258.322 -1.118 20 0 CAADLO COC[C@@H]1CN(C(=O)C(=O)NCc2[nH+]ccn2C)CCO1 ZINC000342967118 252130124 /nfs/dbraw/zinc/13/01/24/252130124.db2.gz SOKQOOWSZGNANU-JTQLQIEISA-N 1 2 296.327 -1.090 20 0 CAADLO CC(C)Nc1nc(N[C@H](C)C[C@@H](C)O)nc(NCCO)[nH+]1 ZINC000342830729 252130186 /nfs/dbraw/zinc/13/01/86/252130186.db2.gz KKSNDRKGXRGLRZ-NXEZZACHSA-N 1 2 298.391 -1.067 20 0 CAADLO CC(C)Nc1nc(NCCO)[nH+]c(N[C@H](C)C[C@@H](C)O)n1 ZINC000342830729 252130189 /nfs/dbraw/zinc/13/01/89/252130189.db2.gz KKSNDRKGXRGLRZ-NXEZZACHSA-N 1 2 298.391 -1.067 20 0 CAADLO CC(C)Nc1nc(NCCO)nc(N[C@H](C)C[C@@H](C)O)[nH+]1 ZINC000342830729 252130194 /nfs/dbraw/zinc/13/01/94/252130194.db2.gz KKSNDRKGXRGLRZ-NXEZZACHSA-N 1 2 298.391 -1.067 20 0 CAADLO O=C(Cn1ccccc1=O)NCCC[N@@H+]1CCNC(=O)C1 ZINC000343031565 252130955 /nfs/dbraw/zinc/13/09/55/252130955.db2.gz CAOYXAYGFJYYQW-UHFFFAOYSA-N 1 2 292.339 -1.214 20 0 CAADLO O=C(Cn1ccccc1=O)NCCC[N@H+]1CCNC(=O)C1 ZINC000343031565 252130958 /nfs/dbraw/zinc/13/09/58/252130958.db2.gz CAOYXAYGFJYYQW-UHFFFAOYSA-N 1 2 292.339 -1.214 20 0 CAADLO C[C@@H]1CN(C(=O)C(=O)NCc2[nH+]ccn2C)C[C@@H](CO)O1 ZINC000342981143 252131529 /nfs/dbraw/zinc/13/15/29/252131529.db2.gz QZUUSFFXOBOCSC-ZJUUUORDSA-N 1 2 296.327 -1.356 20 0 CAADLO C[C@@H](C(=O)N1CC[C@H](NC(N)=O)C1)[NH+]1CCOCC1 ZINC000343047401 252132022 /nfs/dbraw/zinc/13/20/22/252132022.db2.gz MLTGISXAVFSOOC-UWVGGRQHSA-N 1 2 270.333 -1.024 20 0 CAADLO CC(C)Nc1nc(NCCO)[nH+]c(NCCC(C)(C)O)n1 ZINC000343027707 252132736 /nfs/dbraw/zinc/13/27/36/252132736.db2.gz QTVURWMHWKOCIX-UHFFFAOYSA-N 1 2 298.391 -1.065 20 0 CAADLO CC(C)Nc1nc(NCCO)nc(NCCC(C)(C)O)[nH+]1 ZINC000343027707 252132742 /nfs/dbraw/zinc/13/27/42/252132742.db2.gz QTVURWMHWKOCIX-UHFFFAOYSA-N 1 2 298.391 -1.065 20 0 CAADLO CC(C)Nc1nc(NCCC(C)(C)O)nc(NCCO)[nH+]1 ZINC000343027707 252132746 /nfs/dbraw/zinc/13/27/46/252132746.db2.gz QTVURWMHWKOCIX-UHFFFAOYSA-N 1 2 298.391 -1.065 20 0 CAADLO COCCNC(=O)C[NH+]1CCN(Cc2nnc(C)[nH]2)CC1 ZINC000343278516 252132801 /nfs/dbraw/zinc/13/28/01/252132801.db2.gz LKFIMDWEEBKONK-UHFFFAOYSA-N 1 2 296.375 -1.007 20 0 CAADLO C[C@H](C(=O)N1CC[C@H](NC(N)=O)C1)[NH+]1CCOCC1 ZINC000343047403 252132843 /nfs/dbraw/zinc/13/28/43/252132843.db2.gz MLTGISXAVFSOOC-ZJUUUORDSA-N 1 2 270.333 -1.024 20 0 CAADLO C[C@@H](C(=O)N1CC[C@@H](NC(N)=O)C1)[NH+]1CCOCC1 ZINC000343047402 252132870 /nfs/dbraw/zinc/13/28/70/252132870.db2.gz MLTGISXAVFSOOC-VHSXEESVSA-N 1 2 270.333 -1.024 20 0 CAADLO O=C(COC[C@H]1CCOC1)NCCC[N@@H+]1CCNC(=O)C1 ZINC000344666066 252133597 /nfs/dbraw/zinc/13/35/97/252133597.db2.gz DBTMSOCDXKXPTB-LBPRGKRZSA-N 1 2 299.371 -1.022 20 0 CAADLO O=C(COC[C@H]1CCOC1)NCCC[N@H+]1CCNC(=O)C1 ZINC000344666066 252133603 /nfs/dbraw/zinc/13/36/03/252133603.db2.gz DBTMSOCDXKXPTB-LBPRGKRZSA-N 1 2 299.371 -1.022 20 0 CAADLO COCCCOCC(=O)NCCC[N@@H+]1CCNC(=O)C1 ZINC000344668291 252134025 /nfs/dbraw/zinc/13/40/25/252134025.db2.gz JRQDNGPCSUFWRB-UHFFFAOYSA-N 1 2 287.360 -1.022 20 0 CAADLO COCCCOCC(=O)NCCC[N@H+]1CCNC(=O)C1 ZINC000344668291 252134030 /nfs/dbraw/zinc/13/40/30/252134030.db2.gz JRQDNGPCSUFWRB-UHFFFAOYSA-N 1 2 287.360 -1.022 20 0 CAADLO C[C@H](NC(=O)C(=O)N1CC(CO)C1)[C@H](C)[NH+]1CCOCC1 ZINC000343330070 252134762 /nfs/dbraw/zinc/13/47/62/252134762.db2.gz HGBJKLCIAXXRCS-QWRGUYRKSA-N 1 2 299.371 -1.338 20 0 CAADLO C[C@H]([C@H](C)NC(=O)C(=O)N1CC(CO)C1)[NH+]1CCOCC1 ZINC000343330071 252135069 /nfs/dbraw/zinc/13/50/69/252135069.db2.gz HGBJKLCIAXXRCS-WDEREUQCSA-N 1 2 299.371 -1.338 20 0 CAADLO CC(C)NS(=O)(=O)NC[C@](C)(O)C[NH+]1CCOCC1 ZINC000352009244 252135876 /nfs/dbraw/zinc/13/58/76/252135876.db2.gz VUQCEROYQJFOJB-NSHDSACASA-N 1 2 295.405 -1.098 20 0 CAADLO CC(C)NS(=O)(=O)NC[C@@](C)(O)C[NH+]1CCOCC1 ZINC000352009243 252136426 /nfs/dbraw/zinc/13/64/26/252136426.db2.gz VUQCEROYQJFOJB-LLVKDONJSA-N 1 2 295.405 -1.098 20 0 CAADLO COC(=O)[C@H](NC(=O)C[N@H+](C)[C@H]1COC[C@H]1O)C(C)C ZINC000352115379 252137568 /nfs/dbraw/zinc/13/75/68/252137568.db2.gz KSKMGMVZSSWVJP-HOSYDEDBSA-N 1 2 288.344 -1.008 20 0 CAADLO COC(=O)[C@H](NC(=O)C[N@@H+](C)[C@H]1COC[C@H]1O)C(C)C ZINC000352115379 252137571 /nfs/dbraw/zinc/13/75/71/252137571.db2.gz KSKMGMVZSSWVJP-HOSYDEDBSA-N 1 2 288.344 -1.008 20 0 CAADLO COC(=O)[C@@H]1CC[C@@H](C(=O)N2CC[NH+](CCO)CC2)O1 ZINC000352162428 252138231 /nfs/dbraw/zinc/13/82/31/252138231.db2.gz MWWXYXQJEBUCTD-QWRGUYRKSA-N 1 2 286.328 -1.157 20 0 CAADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)N1C[C@@H](O)C[C@H]1CO ZINC000361399120 252172669 /nfs/dbraw/zinc/17/26/69/252172669.db2.gz CRWHEHFGNVIYOX-WOPDTQHZSA-N 1 2 287.360 -1.156 20 0 CAADLO C[C@@H]1COCC[N@H+]1CCNC(=O)N1C[C@@H](O)C[C@H]1CO ZINC000361399120 252172670 /nfs/dbraw/zinc/17/26/70/252172670.db2.gz CRWHEHFGNVIYOX-WOPDTQHZSA-N 1 2 287.360 -1.156 20 0 CAADLO CCN1CCOC[C@H]1C(=O)N1CC[NH+](CCO)CC1 ZINC000363112172 252180050 /nfs/dbraw/zinc/18/00/50/252180050.db2.gz UPJLLTOSMPEVFG-LBPRGKRZSA-N 1 2 271.361 -1.156 20 0 CAADLO CONC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000363609899 252180343 /nfs/dbraw/zinc/18/03/43/252180343.db2.gz CMDKFPXWYWMKRC-SNVBAGLBSA-N 1 2 271.317 -1.155 20 0 CAADLO CCN1CCOC[C@@H]1C(=O)N1CC[NH+](CCO)CC1 ZINC000363112171 252180428 /nfs/dbraw/zinc/18/04/28/252180428.db2.gz UPJLLTOSMPEVFG-GFCCVEGCSA-N 1 2 271.361 -1.156 20 0 CAADLO COCC(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000363544226 252180483 /nfs/dbraw/zinc/18/04/83/252180483.db2.gz BFFRBVHRJSWDPH-NSHDSACASA-N 1 2 285.344 -1.318 20 0 CAADLO O=C1OC[C@H]2CN(C[C@H](O)C[NH+]3CCOCC3)CCN12 ZINC000363867654 252181090 /nfs/dbraw/zinc/18/10/90/252181090.db2.gz WTBIBGQAFPNTMM-VXGBXAGGSA-N 1 2 285.344 -1.184 20 0 CAADLO C[C@@H]1C[N@H+](CCN2C(=O)NC(C)(C)C2=O)C[C@H](C(N)=O)O1 ZINC000366113469 252181602 /nfs/dbraw/zinc/18/16/02/252181602.db2.gz BKOXUUOVDQMCQV-RKDXNWHRSA-N 1 2 298.343 -1.109 20 0 CAADLO C[C@@H]1C[N@@H+](CCN2C(=O)NC(C)(C)C2=O)C[C@H](C(N)=O)O1 ZINC000366113469 252181604 /nfs/dbraw/zinc/18/16/04/252181604.db2.gz BKOXUUOVDQMCQV-RKDXNWHRSA-N 1 2 298.343 -1.109 20 0 CAADLO O=C(Cn1cnnn1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000363939869 252181711 /nfs/dbraw/zinc/18/17/11/252181711.db2.gz PINCPPYSLPVCDO-SNVBAGLBSA-N 1 2 266.305 -1.394 20 0 CAADLO CC(C)NS(=O)(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000367928361 252184101 /nfs/dbraw/zinc/18/41/01/252184101.db2.gz FNALNUHCUNYTDW-JTQLQIEISA-N 1 2 262.379 -1.181 20 0 CAADLO CNC(=O)C[N@@H+]1CCCN(C(=O)CNC(=O)OC)CC1 ZINC000368829397 252185483 /nfs/dbraw/zinc/18/54/83/252185483.db2.gz KSXOMQHCLAHUON-UHFFFAOYSA-N 1 2 286.332 -1.377 20 0 CAADLO CNC(=O)C[N@H+]1CCCN(C(=O)CNC(=O)OC)CC1 ZINC000368829397 252185486 /nfs/dbraw/zinc/18/54/86/252185486.db2.gz KSXOMQHCLAHUON-UHFFFAOYSA-N 1 2 286.332 -1.377 20 0 CAADLO CNC(=O)NC(=O)[C@H](C)[N@@H+]1CCN2CCOC[C@H]2C1 ZINC000368212778 252184517 /nfs/dbraw/zinc/18/45/17/252184517.db2.gz PYKYFWVAQSCJME-VHSXEESVSA-N 1 2 270.333 -1.153 20 0 CAADLO CNC(=O)NC(=O)[C@H](C)[N@H+]1CCN2CCOC[C@H]2C1 ZINC000368212778 252184522 /nfs/dbraw/zinc/18/45/22/252184522.db2.gz PYKYFWVAQSCJME-VHSXEESVSA-N 1 2 270.333 -1.153 20 0 CAADLO C[C@@H](CC(N)=O)NC(=O)NCC[NH+]1CCOCC1 ZINC000361864214 252173446 /nfs/dbraw/zinc/17/34/46/252173446.db2.gz WLONCGZMZSLHLM-VIFPVBQESA-N 1 2 258.322 -1.118 20 0 CAADLO CC[N@@H+]1CCOC[C@H]1C(=O)NCCCN1C(=O)CNC1=O ZINC000362052489 252175791 /nfs/dbraw/zinc/17/57/91/252175791.db2.gz MMAHOTCUOVZETG-JTQLQIEISA-N 1 2 298.343 -1.235 20 0 CAADLO CC[N@H+]1CCOC[C@H]1C(=O)NCCCN1C(=O)CNC1=O ZINC000362052489 252175795 /nfs/dbraw/zinc/17/57/95/252175795.db2.gz MMAHOTCUOVZETG-JTQLQIEISA-N 1 2 298.343 -1.235 20 0 CAADLO CC[N@@H+]1CCOC[C@H]1C(=O)NCCNS(=O)(=O)CC ZINC000362241122 252176232 /nfs/dbraw/zinc/17/62/32/252176232.db2.gz WWFCYCOXFOKALO-JTQLQIEISA-N 1 2 293.389 -1.237 20 0 CAADLO CC[N@H+]1CCOC[C@H]1C(=O)NCCNS(=O)(=O)CC ZINC000362241122 252176235 /nfs/dbraw/zinc/17/62/35/252176235.db2.gz WWFCYCOXFOKALO-JTQLQIEISA-N 1 2 293.389 -1.237 20 0 CAADLO CC[N@@H+]1CCOC[C@@H]1C(=O)NCCNS(=O)(=O)CC ZINC000362241123 252176543 /nfs/dbraw/zinc/17/65/43/252176543.db2.gz WWFCYCOXFOKALO-SNVBAGLBSA-N 1 2 293.389 -1.237 20 0 CAADLO CC[N@H+]1CCOC[C@@H]1C(=O)NCCNS(=O)(=O)CC ZINC000362241123 252176545 /nfs/dbraw/zinc/17/65/45/252176545.db2.gz WWFCYCOXFOKALO-SNVBAGLBSA-N 1 2 293.389 -1.237 20 0 CAADLO CC[N@@H+]1CCOC[C@@H]1C(=O)NCCCN1C(=O)CNC1=O ZINC000362052520 252176708 /nfs/dbraw/zinc/17/67/08/252176708.db2.gz MMAHOTCUOVZETG-SNVBAGLBSA-N 1 2 298.343 -1.235 20 0 CAADLO CC[N@H+]1CCOC[C@@H]1C(=O)NCCCN1C(=O)CNC1=O ZINC000362052520 252176711 /nfs/dbraw/zinc/17/67/11/252176711.db2.gz MMAHOTCUOVZETG-SNVBAGLBSA-N 1 2 298.343 -1.235 20 0 CAADLO CNC(=O)C[N@@H+]1CCCN(C(=O)COCCOC)CC1 ZINC000368829024 252185377 /nfs/dbraw/zinc/18/53/77/252185377.db2.gz IRMKLTHZTYKNFA-UHFFFAOYSA-N 1 2 287.360 -1.070 20 0 CAADLO CNC(=O)C[N@H+]1CCCN(C(=O)COCCOC)CC1 ZINC000368829024 252185380 /nfs/dbraw/zinc/18/53/80/252185380.db2.gz IRMKLTHZTYKNFA-UHFFFAOYSA-N 1 2 287.360 -1.070 20 0 CAADLO CCOC(=O)CCC[N@@H+]1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC000368450360 252186383 /nfs/dbraw/zinc/18/63/83/252186383.db2.gz IPYSJZYQRBLTSK-SNVBAGLBSA-N 1 2 283.328 -1.028 20 0 CAADLO CCOC(=O)CCC[N@H+]1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC000368450360 252186387 /nfs/dbraw/zinc/18/63/87/252186387.db2.gz IPYSJZYQRBLTSK-SNVBAGLBSA-N 1 2 283.328 -1.028 20 0 CAADLO CCNC(=O)NC(=O)C[N@@H+]1CCC[C@H](S(N)(=O)=O)C1 ZINC000368681522 252186473 /nfs/dbraw/zinc/18/64/73/252186473.db2.gz YJDDZWDNQDESSB-QMMMGPOBSA-N 1 2 292.361 -1.415 20 0 CAADLO CCNC(=O)NC(=O)C[N@H+]1CCC[C@H](S(N)(=O)=O)C1 ZINC000368681522 252186476 /nfs/dbraw/zinc/18/64/76/252186476.db2.gz YJDDZWDNQDESSB-QMMMGPOBSA-N 1 2 292.361 -1.415 20 0 CAADLO Cc1cn2c([nH+]1)CN(CC(=O)N1CCNC(=O)C1)CC2 ZINC000369994959 252189482 /nfs/dbraw/zinc/18/94/82/252189482.db2.gz JRLULMJAMPRGCL-UHFFFAOYSA-N 1 2 277.328 -1.034 20 0 CAADLO CNC(=O)C[N@@H+]1CCCN(C(=O)[C@H]2CCNC(=O)C2)CC1 ZINC000370531273 252189696 /nfs/dbraw/zinc/18/96/96/252189696.db2.gz NHDTZTZWGUKDLF-NSHDSACASA-N 1 2 296.371 -1.207 20 0 CAADLO CNC(=O)C[N@H+]1CCCN(C(=O)[C@H]2CCNC(=O)C2)CC1 ZINC000370531273 252189698 /nfs/dbraw/zinc/18/96/98/252189698.db2.gz NHDTZTZWGUKDLF-NSHDSACASA-N 1 2 296.371 -1.207 20 0 CAADLO Cn1c(=O)[nH]cc(C(=O)NC[C@H]2C[NH+]3CCN2CC3)c1=O ZINC000371296172 252192016 /nfs/dbraw/zinc/19/20/16/252192016.db2.gz XKODWECZJUBPOP-VIFPVBQESA-N 1 2 293.327 -1.785 20 0 CAADLO CCNC(=O)NC(=O)C[N@@H+]1CCN2CCOC[C@H]2C1 ZINC000371833852 252193573 /nfs/dbraw/zinc/19/35/73/252193573.db2.gz DWLRHRCCGYXSGW-SNVBAGLBSA-N 1 2 270.333 -1.152 20 0 CAADLO CCNC(=O)NC(=O)C[N@H+]1CCN2CCOC[C@H]2C1 ZINC000371833852 252193575 /nfs/dbraw/zinc/19/35/75/252193575.db2.gz DWLRHRCCGYXSGW-SNVBAGLBSA-N 1 2 270.333 -1.152 20 0 CAADLO NC(=O)Cn1cc(C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)nn1 ZINC000372334056 252193615 /nfs/dbraw/zinc/19/36/15/252193615.db2.gz PYGRSJIISAHHLH-ZETCQYMHSA-N 1 2 289.299 -1.226 20 0 CAADLO NC(=O)Cn1cc(C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)nn1 ZINC000372334056 252193620 /nfs/dbraw/zinc/19/36/20/252193620.db2.gz PYGRSJIISAHHLH-ZETCQYMHSA-N 1 2 289.299 -1.226 20 0 CAADLO COC(=O)CNC(=O)C[N@@H+]1CCN2CCOC[C@@H]2C1 ZINC000371828436 252194144 /nfs/dbraw/zinc/19/41/44/252194144.db2.gz ILKAVTRWAFLWHD-JTQLQIEISA-N 1 2 271.317 -1.708 20 0 CAADLO COC(=O)CNC(=O)C[N@H+]1CCN2CCOC[C@@H]2C1 ZINC000371828436 252194145 /nfs/dbraw/zinc/19/41/45/252194145.db2.gz ILKAVTRWAFLWHD-JTQLQIEISA-N 1 2 271.317 -1.708 20 0 CAADLO O=C(C[N@@H+]1CCN2CCOC[C@@H]2C1)N1CCNC(=O)C1 ZINC000371835462 252194351 /nfs/dbraw/zinc/19/43/51/252194351.db2.gz STFIPNSBIUVVTI-NSHDSACASA-N 1 2 282.344 -2.039 20 0 CAADLO O=C(C[N@H+]1CCN2CCOC[C@@H]2C1)N1CCNC(=O)C1 ZINC000371835462 252194355 /nfs/dbraw/zinc/19/43/55/252194355.db2.gz STFIPNSBIUVVTI-NSHDSACASA-N 1 2 282.344 -2.039 20 0 CAADLO COC(=O)[C@@H]1C[C@H]1C(=O)N1CCC[N@H+](CC(N)=O)CC1 ZINC000372562547 252195214 /nfs/dbraw/zinc/19/52/14/252195214.db2.gz FRNHBJOOSBDVOV-NXEZZACHSA-N 1 2 283.328 -1.185 20 0 CAADLO COC(=O)[C@@H]1C[C@H]1C(=O)N1CCC[N@@H+](CC(N)=O)CC1 ZINC000372562547 252195219 /nfs/dbraw/zinc/19/52/19/252195219.db2.gz FRNHBJOOSBDVOV-NXEZZACHSA-N 1 2 283.328 -1.185 20 0 CAADLO COCCCS(=O)(=O)NCC[N@@H+]1CCNC(=O)CC1 ZINC000372712581 252195362 /nfs/dbraw/zinc/19/53/62/252195362.db2.gz GTDGBONAFIZLQQ-UHFFFAOYSA-N 1 2 293.389 -1.236 20 0 CAADLO COCCCS(=O)(=O)NCC[N@H+]1CCNC(=O)CC1 ZINC000372712581 252195368 /nfs/dbraw/zinc/19/53/68/252195368.db2.gz GTDGBONAFIZLQQ-UHFFFAOYSA-N 1 2 293.389 -1.236 20 0 CAADLO O=C(C[N@@H+]1CCOC2(CCOCC2)C1)N1CCNC(=O)C1 ZINC000372748490 252195867 /nfs/dbraw/zinc/19/58/67/252195867.db2.gz QPVMRJYTEOOSGB-UHFFFAOYSA-N 1 2 297.355 -1.174 20 0 CAADLO O=C(C[N@H+]1CCOC2(CCOCC2)C1)N1CCNC(=O)C1 ZINC000372748490 252195872 /nfs/dbraw/zinc/19/58/72/252195872.db2.gz QPVMRJYTEOOSGB-UHFFFAOYSA-N 1 2 297.355 -1.174 20 0 CAADLO CC[N@@H+]1CCOC[C@H]1C(=O)NCCN1C(=O)CCC1=O ZINC000372458551 252196516 /nfs/dbraw/zinc/19/65/16/252196516.db2.gz RLTGWWKOOTTZNX-JTQLQIEISA-N 1 2 283.328 -1.028 20 0 CAADLO CC[N@H+]1CCOC[C@H]1C(=O)NCCN1C(=O)CCC1=O ZINC000372458551 252196521 /nfs/dbraw/zinc/19/65/21/252196521.db2.gz RLTGWWKOOTTZNX-JTQLQIEISA-N 1 2 283.328 -1.028 20 0 CAADLO C[C@@H]1C[N@H+](CC(=O)N2CCNC(=O)C2)C[C@@]2(CCOC2)O1 ZINC000373754563 252197792 /nfs/dbraw/zinc/19/77/92/252197792.db2.gz WZDCLSALENOJJS-BXUZGUMPSA-N 1 2 297.355 -1.175 20 0 CAADLO C[C@@H]1C[N@@H+](CC(=O)N2CCNC(=O)C2)C[C@@]2(CCOC2)O1 ZINC000373754563 252197794 /nfs/dbraw/zinc/19/77/94/252197794.db2.gz WZDCLSALENOJJS-BXUZGUMPSA-N 1 2 297.355 -1.175 20 0 CAADLO C[C@@H]1OCC[C@@]12C[N@H+](CC(=O)N1CCNC(=O)C1)CCO2 ZINC000373406838 252197824 /nfs/dbraw/zinc/19/78/24/252197824.db2.gz SIPLZSFMTAZBQI-SMDDNHRTSA-N 1 2 297.355 -1.175 20 0 CAADLO C[C@@H]1OCC[C@@]12C[N@@H+](CC(=O)N1CCNC(=O)C1)CCO2 ZINC000373406838 252197825 /nfs/dbraw/zinc/19/78/25/252197825.db2.gz SIPLZSFMTAZBQI-SMDDNHRTSA-N 1 2 297.355 -1.175 20 0 CAADLO CC[N@@H+]1CCOC[C@H]1C(=O)NCCNC(=O)c1ccn[nH]1 ZINC000373303397 252198364 /nfs/dbraw/zinc/19/83/64/252198364.db2.gz PMNSYSQWPCODHB-NSHDSACASA-N 1 2 295.343 -1.024 20 0 CAADLO CC[N@H+]1CCOC[C@H]1C(=O)NCCNC(=O)c1ccn[nH]1 ZINC000373303397 252198368 /nfs/dbraw/zinc/19/83/68/252198368.db2.gz PMNSYSQWPCODHB-NSHDSACASA-N 1 2 295.343 -1.024 20 0 CAADLO CCS(=O)(=O)NCCC[N@@H+]1CCO[C@@H](C(=O)NC)C1 ZINC000376869598 252203381 /nfs/dbraw/zinc/20/33/81/252203381.db2.gz LUEFHYHEEIHZQV-SNVBAGLBSA-N 1 2 293.389 -1.237 20 0 CAADLO CCS(=O)(=O)NCCC[N@H+]1CCO[C@@H](C(=O)NC)C1 ZINC000376869598 252203385 /nfs/dbraw/zinc/20/33/85/252203385.db2.gz LUEFHYHEEIHZQV-SNVBAGLBSA-N 1 2 293.389 -1.237 20 0 CAADLO CC[N@@H+]1CCOC[C@@H]1C(=O)N1CC(NC(=O)COC)C1 ZINC000376941410 252206205 /nfs/dbraw/zinc/20/62/05/252206205.db2.gz OEWBVSUNCDQRAX-LLVKDONJSA-N 1 2 285.344 -1.320 20 0 CAADLO CC[N@H+]1CCOC[C@@H]1C(=O)N1CC(NC(=O)COC)C1 ZINC000376941410 252206210 /nfs/dbraw/zinc/20/62/10/252206210.db2.gz OEWBVSUNCDQRAX-LLVKDONJSA-N 1 2 285.344 -1.320 20 0 CAADLO CC[N@@H+]1CCOC[C@@H]1C(=O)N1CCN(C(=O)[C@@H](C)O)CC1 ZINC000378437170 252208303 /nfs/dbraw/zinc/20/83/03/252208303.db2.gz FROBZEKTXOJFMI-VXGBXAGGSA-N 1 2 299.371 -1.241 20 0 CAADLO CC[N@H+]1CCOC[C@@H]1C(=O)N1CCN(C(=O)[C@@H](C)O)CC1 ZINC000378437170 252208305 /nfs/dbraw/zinc/20/83/05/252208305.db2.gz FROBZEKTXOJFMI-VXGBXAGGSA-N 1 2 299.371 -1.241 20 0 CAADLO CC(=O)NCC(=O)NCC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000378206024 252208413 /nfs/dbraw/zinc/20/84/13/252208413.db2.gz YQGDXUOYWLQBNK-VIFPVBQESA-N 1 2 293.327 -1.365 20 0 CAADLO CC(=O)NCC(=O)NCC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000378206024 252208419 /nfs/dbraw/zinc/20/84/19/252208419.db2.gz YQGDXUOYWLQBNK-VIFPVBQESA-N 1 2 293.327 -1.365 20 0 CAADLO CNC(=O)C[N@@H+]1CCCN(S(=O)(=O)NC(C)C)CC1 ZINC000378507743 252208643 /nfs/dbraw/zinc/20/86/43/252208643.db2.gz MZXLUBNHCVMAFZ-UHFFFAOYSA-N 1 2 292.405 -1.017 20 0 CAADLO CNC(=O)C[N@H+]1CCCN(S(=O)(=O)NC(C)C)CC1 ZINC000378507743 252208649 /nfs/dbraw/zinc/20/86/49/252208649.db2.gz MZXLUBNHCVMAFZ-UHFFFAOYSA-N 1 2 292.405 -1.017 20 0 CAADLO CS(=O)(=O)N1CC[NH+](CCN2C(=O)CNC2=O)CC1 ZINC000407948211 252209469 /nfs/dbraw/zinc/20/94/69/252209469.db2.gz RRJDWAAJLQOQGQ-UHFFFAOYSA-N 1 2 290.345 -1.885 20 0 CAADLO CC(C)OC[C@@H](O)C[NH+]1CCN(S(N)(=O)=O)CC1 ZINC000407948657 252209656 /nfs/dbraw/zinc/20/96/56/252209656.db2.gz JWSCSHCNJFURBK-JTQLQIEISA-N 1 2 281.378 -1.407 20 0 CAADLO CCS(=O)(=O)NCC[N@@H+]1CC[C@H](S(N)(=O)=O)C1 ZINC000407949731 252209861 /nfs/dbraw/zinc/20/98/61/252209861.db2.gz MZDXUDVTWNIDGG-QMMMGPOBSA-N 1 2 285.391 -1.712 20 0 CAADLO CCS(=O)(=O)NCC[N@H+]1CC[C@H](S(N)(=O)=O)C1 ZINC000407949731 252209865 /nfs/dbraw/zinc/20/98/65/252209865.db2.gz MZDXUDVTWNIDGG-QMMMGPOBSA-N 1 2 285.391 -1.712 20 0 CAADLO CN(C)S(=O)(=O)CC[N@@H+]1CCC[C@@H]1CS(N)(=O)=O ZINC000407949151 252210149 /nfs/dbraw/zinc/21/01/49/252210149.db2.gz VARVDBHOPBQULU-SECBINFHSA-N 1 2 299.418 -1.369 20 0 CAADLO CN(C)S(=O)(=O)CC[N@H+]1CCC[C@@H]1CS(N)(=O)=O ZINC000407949151 252210153 /nfs/dbraw/zinc/21/01/53/252210153.db2.gz VARVDBHOPBQULU-SECBINFHSA-N 1 2 299.418 -1.369 20 0 CAADLO CS(=O)(=O)NCC[N@@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000407950180 252210632 /nfs/dbraw/zinc/21/06/32/252210632.db2.gz YVHAWQOQOHPDMA-MRVPVSSYSA-N 1 2 285.391 -1.841 20 0 CAADLO CS(=O)(=O)NCC[N@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000407950180 252210636 /nfs/dbraw/zinc/21/06/36/252210636.db2.gz YVHAWQOQOHPDMA-MRVPVSSYSA-N 1 2 285.391 -1.841 20 0 CAADLO CCS(=O)(=O)NCC[N@@H+]1CC[C@@H](S(N)(=O)=O)C1 ZINC000407949727 252211010 /nfs/dbraw/zinc/21/10/10/252211010.db2.gz MZDXUDVTWNIDGG-MRVPVSSYSA-N 1 2 285.391 -1.712 20 0 CAADLO CCS(=O)(=O)NCC[N@H+]1CC[C@@H](S(N)(=O)=O)C1 ZINC000407949727 252211012 /nfs/dbraw/zinc/21/10/12/252211012.db2.gz MZDXUDVTWNIDGG-MRVPVSSYSA-N 1 2 285.391 -1.712 20 0 CAADLO CC(=O)N[C@H]1CCC[N@H+](CC(=O)N2CCNC(=O)C2)C1 ZINC000407991328 252211881 /nfs/dbraw/zinc/21/18/81/252211881.db2.gz UYCTUUYZQZLAKZ-NSHDSACASA-N 1 2 282.344 -1.455 20 0 CAADLO CC(=O)N[C@H]1CCC[N@@H+](CC(=O)N2CCNC(=O)C2)C1 ZINC000407991328 252211885 /nfs/dbraw/zinc/21/18/85/252211885.db2.gz UYCTUUYZQZLAKZ-NSHDSACASA-N 1 2 282.344 -1.455 20 0 CAADLO CC(=O)N[C@@H]1CCC[N@H+](CC(=O)N2CCNC(=O)C2)C1 ZINC000407991327 252212012 /nfs/dbraw/zinc/21/20/12/252212012.db2.gz UYCTUUYZQZLAKZ-LLVKDONJSA-N 1 2 282.344 -1.455 20 0 CAADLO CC(=O)N[C@@H]1CCC[N@@H+](CC(=O)N2CCNC(=O)C2)C1 ZINC000407991327 252212016 /nfs/dbraw/zinc/21/20/16/252212016.db2.gz UYCTUUYZQZLAKZ-LLVKDONJSA-N 1 2 282.344 -1.455 20 0 CAADLO NS(=O)(=O)[C@@H]1CCC[N@H+](CC(=O)N2CCOCC2)C1 ZINC000408100498 252222112 /nfs/dbraw/zinc/22/21/12/252222112.db2.gz XYSRGUBJUUSJSV-SNVBAGLBSA-N 1 2 291.373 -1.402 20 0 CAADLO NS(=O)(=O)[C@@H]1CCC[N@@H+](CC(=O)N2CCOCC2)C1 ZINC000408100498 252222116 /nfs/dbraw/zinc/22/21/16/252222116.db2.gz XYSRGUBJUUSJSV-SNVBAGLBSA-N 1 2 291.373 -1.402 20 0 CAADLO CNC(=O)[C@H]1CCC[N@@H+]1CC(=O)N1CCN(C(C)=O)CC1 ZINC000408078833 252222212 /nfs/dbraw/zinc/22/22/12/252222212.db2.gz FJOXRVZMFHPVRM-GFCCVEGCSA-N 1 2 296.371 -1.113 20 0 CAADLO CNC(=O)[C@H]1CCC[N@H+]1CC(=O)N1CCN(C(C)=O)CC1 ZINC000408078833 252222215 /nfs/dbraw/zinc/22/22/15/252222215.db2.gz FJOXRVZMFHPVRM-GFCCVEGCSA-N 1 2 296.371 -1.113 20 0 CAADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1CNC(=O)C1 ZINC000408079333 252222251 /nfs/dbraw/zinc/22/22/51/252222251.db2.gz HHZPRZASKARZKB-ZJUUUORDSA-N 1 2 255.318 -1.041 20 0 CAADLO C[C@@H]1COCC[N@H+]1CCNC(=O)[C@@H]1CNC(=O)C1 ZINC000408079333 252222254 /nfs/dbraw/zinc/22/22/54/252222254.db2.gz HHZPRZASKARZKB-ZJUUUORDSA-N 1 2 255.318 -1.041 20 0 CAADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@H]1CNC(=O)C1 ZINC000408079330 252222286 /nfs/dbraw/zinc/22/22/86/252222286.db2.gz HHZPRZASKARZKB-NXEZZACHSA-N 1 2 255.318 -1.041 20 0 CAADLO C[C@@H]1COCC[N@H+]1CCNC(=O)[C@H]1CNC(=O)C1 ZINC000408079330 252222291 /nfs/dbraw/zinc/22/22/91/252222291.db2.gz HHZPRZASKARZKB-NXEZZACHSA-N 1 2 255.318 -1.041 20 0 CAADLO CN(C(=O)C[N@@H+]1CC[C@@H](S(N)(=O)=O)C1)C1CC1 ZINC000408089081 252222629 /nfs/dbraw/zinc/22/26/29/252222629.db2.gz LPTKRAPQOZDWLI-SECBINFHSA-N 1 2 261.347 -1.030 20 0 CAADLO CN(C(=O)C[N@H+]1CC[C@@H](S(N)(=O)=O)C1)C1CC1 ZINC000408089081 252222631 /nfs/dbraw/zinc/22/26/31/252222631.db2.gz LPTKRAPQOZDWLI-SECBINFHSA-N 1 2 261.347 -1.030 20 0 CAADLO CN(C)C(=O)C1(C(=O)N2CC[NH+](CCO)CC2)CC1 ZINC000408140778 252223513 /nfs/dbraw/zinc/22/35/13/252223513.db2.gz TZWZOKXCBQLEGT-UHFFFAOYSA-N 1 2 269.345 -1.009 20 0 CAADLO C[C@H]1C[N@H+](CCC(=O)NC(N)=O)CCN1S(C)(=O)=O ZINC000408120323 252223577 /nfs/dbraw/zinc/22/35/77/252223577.db2.gz FVRUUJFTSDEKLS-QMMMGPOBSA-N 1 2 292.361 -1.463 20 0 CAADLO C[C@H]1C[N@@H+](CCC(=O)NC(N)=O)CCN1S(C)(=O)=O ZINC000408120323 252223582 /nfs/dbraw/zinc/22/35/82/252223582.db2.gz FVRUUJFTSDEKLS-QMMMGPOBSA-N 1 2 292.361 -1.463 20 0 CAADLO CN1C(=O)CC[C@H]1C(=O)N1CC[NH+](CCO)CC1 ZINC000408139711 252224283 /nfs/dbraw/zinc/22/42/83/252224283.db2.gz PEPAJAGPPRPIJP-JTQLQIEISA-N 1 2 255.318 -1.256 20 0 CAADLO CN1C(=O)CC[C@@H]1C(=O)N1CC[NH+](CCO)CC1 ZINC000408139713 252224290 /nfs/dbraw/zinc/22/42/90/252224290.db2.gz PEPAJAGPPRPIJP-SNVBAGLBSA-N 1 2 255.318 -1.256 20 0 CAADLO CNC(=O)NC(=O)C[N@@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000408182093 252226643 /nfs/dbraw/zinc/22/66/43/252226643.db2.gz HIHKAVYMGQEPIE-SSDOTTSWSA-N 1 2 278.334 -1.935 20 0 CAADLO CNC(=O)NC(=O)C[N@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000408182093 252226647 /nfs/dbraw/zinc/22/66/47/252226647.db2.gz HIHKAVYMGQEPIE-SSDOTTSWSA-N 1 2 278.334 -1.935 20 0 CAADLO Cn1nnnc1CN1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000408157737 252225117 /nfs/dbraw/zinc/22/51/17/252225117.db2.gz KHXVBRZQADJYHC-UHFFFAOYSA-N 1 2 293.375 -1.050 20 0 CAADLO CCOC[C@@H](O)C[NH+]1CCN(S(N)(=O)=O)CC1 ZINC000408154811 252225166 /nfs/dbraw/zinc/22/51/66/252225166.db2.gz NAXFQJQUQWUNFO-VIFPVBQESA-N 1 2 267.351 -1.795 20 0 CAADLO NS(=O)(=O)C[C@@H]1CCC[N@@H+]1CC(=O)N1CCOCC1 ZINC000408167390 252225175 /nfs/dbraw/zinc/22/51/75/252225175.db2.gz DNIRQNJCNJFNJP-JTQLQIEISA-N 1 2 291.373 -1.402 20 0 CAADLO NS(=O)(=O)C[C@@H]1CCC[N@H+]1CC(=O)N1CCOCC1 ZINC000408167390 252225179 /nfs/dbraw/zinc/22/51/79/252225179.db2.gz DNIRQNJCNJFNJP-JTQLQIEISA-N 1 2 291.373 -1.402 20 0 CAADLO C[C@@H](C(=O)N1CCO[C@H](CO)C1)[NH+]1CCOCC1 ZINC000408004796 252213769 /nfs/dbraw/zinc/21/37/69/252213769.db2.gz ZMUFWANMJZYMRG-QWRGUYRKSA-N 1 2 258.318 -1.073 20 0 CAADLO C[C@@H](C(=O)N1CCN(CC(N)=O)CC1)[NH+]1CCOCC1 ZINC000408001941 252213937 /nfs/dbraw/zinc/21/39/37/252213937.db2.gz CYEASSMTUNOTAW-NSHDSACASA-N 1 2 284.360 -1.663 20 0 CAADLO CS(=O)(=O)N[C@@H]1CC[N@H+](CC(=O)N2CCOCC2)C1 ZINC000408184112 252226833 /nfs/dbraw/zinc/22/68/33/252226833.db2.gz WKILHHJNQPDAKI-SNVBAGLBSA-N 1 2 291.373 -1.531 20 0 CAADLO CS(=O)(=O)N[C@@H]1CC[N@@H+](CC(=O)N2CCOCC2)C1 ZINC000408184112 252226837 /nfs/dbraw/zinc/22/68/37/252226837.db2.gz WKILHHJNQPDAKI-SNVBAGLBSA-N 1 2 291.373 -1.531 20 0 CAADLO CNS(=O)(=O)N1CC[NH+](C[C@@H](O)COC(C)C)CC1 ZINC000408196060 252226844 /nfs/dbraw/zinc/22/68/44/252226844.db2.gz AFGBVTMDFVVKHK-LLVKDONJSA-N 1 2 295.405 -1.146 20 0 CAADLO O=C(N1CC[NH+](CCO)CC1)[C@@]1(O)CCSC1 ZINC000408040660 252217026 /nfs/dbraw/zinc/21/70/26/252217026.db2.gz ISMJKXCDNLQFLQ-LLVKDONJSA-N 1 2 260.359 -1.009 20 0 CAADLO C[C@@H](C(=O)N1CCN2C(=O)NC(=O)[C@H]2C1)[NH+]1CCOCC1 ZINC000408034462 252217199 /nfs/dbraw/zinc/21/71/99/252217199.db2.gz UDEOBIWUUXKGDL-VHSXEESVSA-N 1 2 296.327 -1.530 20 0 CAADLO C[C@@H](C(=O)N1CCN(C(=O)CO)CC1)[NH+]1CCN(C)CC1 ZINC000408037700 252217253 /nfs/dbraw/zinc/21/72/53/252217253.db2.gz CUCKSRSRUHDOTP-LBPRGKRZSA-N 1 2 298.387 -1.715 20 0 CAADLO CNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000408184811 252226931 /nfs/dbraw/zinc/22/69/31/252226931.db2.gz ZSWPOPPNFKXPQR-SFYZADRCSA-N 1 2 292.361 -1.546 20 0 CAADLO CNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000408184811 252226935 /nfs/dbraw/zinc/22/69/35/252226935.db2.gz ZSWPOPPNFKXPQR-SFYZADRCSA-N 1 2 292.361 -1.546 20 0 CAADLO C[C@H](O)C(=O)N1CCN(CC[NH+]2CCOCC2)CC1 ZINC000408047516 252219092 /nfs/dbraw/zinc/21/90/92/252219092.db2.gz QVSYKYNSQSIEFM-LBPRGKRZSA-N 1 2 271.361 -1.156 20 0 CAADLO C[C@H](O)C(=O)N1CC[NH+](CCN2CCOCC2)CC1 ZINC000408047516 252219095 /nfs/dbraw/zinc/21/90/95/252219095.db2.gz QVSYKYNSQSIEFM-LBPRGKRZSA-N 1 2 271.361 -1.156 20 0 CAADLO CNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000408184809 252226943 /nfs/dbraw/zinc/22/69/43/252226943.db2.gz ZSWPOPPNFKXPQR-JGVFFNPUSA-N 1 2 292.361 -1.546 20 0 CAADLO CNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000408184809 252226946 /nfs/dbraw/zinc/22/69/46/252226946.db2.gz ZSWPOPPNFKXPQR-JGVFFNPUSA-N 1 2 292.361 -1.546 20 0 CAADLO O=C(CO)N1CC[NH+](CCN2CCCS2(=O)=O)CC1 ZINC000408058561 252219522 /nfs/dbraw/zinc/21/95/22/252219522.db2.gz BZVMMKYBNYCVGD-UHFFFAOYSA-N 1 2 291.373 -1.842 20 0 CAADLO CCOC[C@@H](O)C[NH+]1CCN(S(=O)(=O)NC)CC1 ZINC000408068710 252220540 /nfs/dbraw/zinc/22/05/40/252220540.db2.gz JGTVGPDFYIZENU-JTQLQIEISA-N 1 2 281.378 -1.534 20 0 CAADLO CNS(=O)(=O)N1CC[NH+](C[C@H](O)COC(C)C)CC1 ZINC000408196061 252227009 /nfs/dbraw/zinc/22/70/09/252227009.db2.gz AFGBVTMDFVVKHK-NSHDSACASA-N 1 2 295.405 -1.146 20 0 CAADLO C[C@H](NS(C)(=O)=O)C(=O)N1CC[NH+](CCO)CC1 ZINC000408076885 252221293 /nfs/dbraw/zinc/22/12/93/252221293.db2.gz PEMYIYCUJLDVAP-VIFPVBQESA-N 1 2 279.362 -1.939 20 0 CAADLO O=C(C(=O)N1CC[NH+](CCCO)CC1)N1CCOCC1 ZINC000408099535 252221312 /nfs/dbraw/zinc/22/13/12/252221312.db2.gz MOROYXIGLOJSSF-UHFFFAOYSA-N 1 2 285.344 -1.628 20 0 CAADLO CNS(=O)(=O)N1CC[NH+](CCN2CCCC2=O)CC1 ZINC000408197337 252227040 /nfs/dbraw/zinc/22/70/40/252227040.db2.gz HXGNMEWKMOJNIT-UHFFFAOYSA-N 1 2 290.389 -1.309 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@H](N2CCCS2(=O)=O)C1 ZINC000408402278 252237980 /nfs/dbraw/zinc/23/79/80/252237980.db2.gz LITYDLAIWWPAQV-VIFPVBQESA-N 1 2 261.347 -1.028 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@H](N2CCCS2(=O)=O)C1 ZINC000408402278 252237984 /nfs/dbraw/zinc/23/79/84/252237984.db2.gz LITYDLAIWWPAQV-VIFPVBQESA-N 1 2 261.347 -1.028 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@@H](N2CCCS2(=O)=O)C1 ZINC000408402277 252238026 /nfs/dbraw/zinc/23/80/26/252238026.db2.gz LITYDLAIWWPAQV-SECBINFHSA-N 1 2 261.347 -1.028 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@@H](N2CCCS2(=O)=O)C1 ZINC000408402277 252238031 /nfs/dbraw/zinc/23/80/31/252238031.db2.gz LITYDLAIWWPAQV-SECBINFHSA-N 1 2 261.347 -1.028 20 0 CAADLO CNC(=O)NC(=O)[C@H](C)[N@@H+]1CCN2C(=O)NC[C@H]2C1 ZINC000408384786 252238225 /nfs/dbraw/zinc/23/82/25/252238225.db2.gz IEBIYMOOELIDNP-YUMQZZPRSA-N 1 2 269.305 -1.460 20 0 CAADLO CNC(=O)NC(=O)[C@H](C)[N@H+]1CCN2C(=O)NC[C@H]2C1 ZINC000408384786 252238230 /nfs/dbraw/zinc/23/82/30/252238230.db2.gz IEBIYMOOELIDNP-YUMQZZPRSA-N 1 2 269.305 -1.460 20 0 CAADLO Cn1nnnc1CN1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000408383638 252238401 /nfs/dbraw/zinc/23/84/01/252238401.db2.gz DHMQWQMZBUPJPH-UHFFFAOYSA-N 1 2 267.337 -1.408 20 0 CAADLO CNS(=O)(=O)CC(=O)N1CC[N@H+](CCO)[C@@H](C)C1 ZINC000408377875 252238964 /nfs/dbraw/zinc/23/89/64/252238964.db2.gz SCPWPHAUTJJNPR-VIFPVBQESA-N 1 2 279.362 -1.939 20 0 CAADLO CNS(=O)(=O)CC(=O)N1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000408377875 252238967 /nfs/dbraw/zinc/23/89/67/252238967.db2.gz SCPWPHAUTJJNPR-VIFPVBQESA-N 1 2 279.362 -1.939 20 0 CAADLO COC[C@@H]1C[N@H+](CC(=O)N2CCNC(=O)C2)C[C@@H](C)O1 ZINC000408419276 252239565 /nfs/dbraw/zinc/23/95/65/252239565.db2.gz IONMYWCXWXFUNX-MNOVXSKESA-N 1 2 285.344 -1.320 20 0 CAADLO COC[C@@H]1C[N@@H+](CC(=O)N2CCNC(=O)C2)C[C@@H](C)O1 ZINC000408419276 252239569 /nfs/dbraw/zinc/23/95/69/252239569.db2.gz IONMYWCXWXFUNX-MNOVXSKESA-N 1 2 285.344 -1.320 20 0 CAADLO COC[C@H]1C[N@H+](CC(=O)N2CCNC(=O)C2)C[C@H](C)O1 ZINC000408419278 252239681 /nfs/dbraw/zinc/23/96/81/252239681.db2.gz IONMYWCXWXFUNX-WDEREUQCSA-N 1 2 285.344 -1.320 20 0 CAADLO COC[C@H]1C[N@@H+](CC(=O)N2CCNC(=O)C2)C[C@H](C)O1 ZINC000408419278 252239687 /nfs/dbraw/zinc/23/96/87/252239687.db2.gz IONMYWCXWXFUNX-WDEREUQCSA-N 1 2 285.344 -1.320 20 0 CAADLO COC[C@@H]1C[N@H+](CC(=O)N2CCNC(=O)C2)C[C@H](C)O1 ZINC000408419277 252240018 /nfs/dbraw/zinc/24/00/18/252240018.db2.gz IONMYWCXWXFUNX-QWRGUYRKSA-N 1 2 285.344 -1.320 20 0 CAADLO COC[C@@H]1C[N@@H+](CC(=O)N2CCNC(=O)C2)C[C@H](C)O1 ZINC000408419277 252240024 /nfs/dbraw/zinc/24/00/24/252240024.db2.gz IONMYWCXWXFUNX-QWRGUYRKSA-N 1 2 285.344 -1.320 20 0 CAADLO C[C@@H]1C[N@H+](CCN2CCCS2(=O)=O)C[C@@H](C(N)=O)O1 ZINC000408415935 252240342 /nfs/dbraw/zinc/24/03/42/252240342.db2.gz LPHAGRGOJRLUMV-ZJUUUORDSA-N 1 2 291.373 -1.404 20 0 CAADLO C[C@@H]1C[N@@H+](CCN2CCCS2(=O)=O)C[C@@H](C(N)=O)O1 ZINC000408415935 252240345 /nfs/dbraw/zinc/24/03/45/252240345.db2.gz LPHAGRGOJRLUMV-ZJUUUORDSA-N 1 2 291.373 -1.404 20 0 CAADLO Cc1cc(NC(=O)C[N@H+]2C[C@@H](O)[C@@H](O)C2)n(C)n1 ZINC000408444506 252240684 /nfs/dbraw/zinc/24/06/84/252240684.db2.gz UPZONHKPMVJHSB-DTORHVGOSA-N 1 2 254.290 -1.296 20 0 CAADLO Cc1cc(NC(=O)C[N@@H+]2C[C@@H](O)[C@@H](O)C2)n(C)n1 ZINC000408444506 252240686 /nfs/dbraw/zinc/24/06/86/252240686.db2.gz UPZONHKPMVJHSB-DTORHVGOSA-N 1 2 254.290 -1.296 20 0 CAADLO CNS(=O)(=O)CC(=O)N1CC[NH+](C[C@@H](C)O)CC1 ZINC000408441279 252240947 /nfs/dbraw/zinc/24/09/47/252240947.db2.gz HDDPXVTYJCDIJP-SECBINFHSA-N 1 2 279.362 -1.939 20 0 CAADLO COC(=O)[C@]1(NC(=O)[C@H]2C[N@H+](C)CCO2)CCOC1 ZINC000408446850 252240995 /nfs/dbraw/zinc/24/09/95/252240995.db2.gz RJZMEIOLLSNVLZ-SKDRFNHKSA-N 1 2 272.301 -1.235 20 0 CAADLO COC(=O)[C@]1(NC(=O)[C@H]2C[N@@H+](C)CCO2)CCOC1 ZINC000408446850 252240998 /nfs/dbraw/zinc/24/09/98/252240998.db2.gz RJZMEIOLLSNVLZ-SKDRFNHKSA-N 1 2 272.301 -1.235 20 0 CAADLO C[N@@H+]1CCO[C@@H](C(=O)N[C@@]2(CCO)CCOC2)C1 ZINC000408448184 252241178 /nfs/dbraw/zinc/24/11/78/252241178.db2.gz PYVOUZXTCUJENH-PWSUYJOCSA-N 1 2 258.318 -1.025 20 0 CAADLO C[N@H+]1CCO[C@@H](C(=O)N[C@@]2(CCO)CCOC2)C1 ZINC000408448184 252241180 /nfs/dbraw/zinc/24/11/80/252241180.db2.gz PYVOUZXTCUJENH-PWSUYJOCSA-N 1 2 258.318 -1.025 20 0 CAADLO C[N@@H+]1CCO[C@@H](C(=O)N[C@]2(CCO)CCOC2)C1 ZINC000408448185 252241631 /nfs/dbraw/zinc/24/16/31/252241631.db2.gz PYVOUZXTCUJENH-ZYHUDNBSSA-N 1 2 258.318 -1.025 20 0 CAADLO C[N@H+]1CCO[C@@H](C(=O)N[C@]2(CCO)CCOC2)C1 ZINC000408448185 252241634 /nfs/dbraw/zinc/24/16/34/252241634.db2.gz PYVOUZXTCUJENH-ZYHUDNBSSA-N 1 2 258.318 -1.025 20 0 CAADLO CN1CC[C@H]([N@@H+]2CCC[C@@H](S(N)(=O)=O)C2)C1=O ZINC000408198372 252227492 /nfs/dbraw/zinc/22/74/92/252227492.db2.gz MTPHFBWMZBGOMV-BDAKNGLRSA-N 1 2 261.347 -1.030 20 0 CAADLO CN1CC[C@H]([N@H+]2CCC[C@@H](S(N)(=O)=O)C2)C1=O ZINC000408198372 252227496 /nfs/dbraw/zinc/22/74/96/252227496.db2.gz MTPHFBWMZBGOMV-BDAKNGLRSA-N 1 2 261.347 -1.030 20 0 CAADLO CN1CC[C@@H]([N@@H+]2CCC[C@H](S(N)(=O)=O)C2)C1=O ZINC000408198373 252227559 /nfs/dbraw/zinc/22/75/59/252227559.db2.gz MTPHFBWMZBGOMV-DTWKUNHWSA-N 1 2 261.347 -1.030 20 0 CAADLO CN1CC[C@@H]([N@H+]2CCC[C@H](S(N)(=O)=O)C2)C1=O ZINC000408198373 252227563 /nfs/dbraw/zinc/22/75/63/252227563.db2.gz MTPHFBWMZBGOMV-DTWKUNHWSA-N 1 2 261.347 -1.030 20 0 CAADLO COC(=O)[C@@](C)(O)C[N@@H+]1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC000408182949 252227577 /nfs/dbraw/zinc/22/75/77/252227577.db2.gz NKBMNWXMUSRZLT-ONGXEEELSA-N 1 2 294.373 -1.124 20 0 CAADLO COC(=O)[C@@](C)(O)C[N@H+]1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC000408182949 252227579 /nfs/dbraw/zinc/22/75/79/252227579.db2.gz NKBMNWXMUSRZLT-ONGXEEELSA-N 1 2 294.373 -1.124 20 0 CAADLO CNS(=O)(=O)N1CC[NH+](CCn2cccn2)CC1 ZINC000408199868 252228585 /nfs/dbraw/zinc/22/85/85/252228585.db2.gz XLGMOQOTMDSDTE-UHFFFAOYSA-N 1 2 273.362 -1.035 20 0 CAADLO CN1C[C@@H](NC(=O)NCC[NH+]2CCOCC2)CC1=O ZINC000408218402 252229420 /nfs/dbraw/zinc/22/94/20/252229420.db2.gz RIQCLSHJBOYFIE-JTQLQIEISA-N 1 2 270.333 -1.152 20 0 CAADLO CCN(C)C(=O)C[NH+]1CCC(NS(=O)(=O)NC)CC1 ZINC000408240887 252229814 /nfs/dbraw/zinc/22/98/14/252229814.db2.gz GMZJBEGATMTTMB-UHFFFAOYSA-N 1 2 292.405 -1.017 20 0 CAADLO CC(C)(C(N)=O)[NH+]1CCN(C(=O)[C@H]2COCCO2)CC1 ZINC000408260197 252230833 /nfs/dbraw/zinc/23/08/33/252230833.db2.gz TZNDYATYJDHVFM-SNVBAGLBSA-N 1 2 285.344 -1.190 20 0 CAADLO C[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@@H]2CS(N)(=O)=O)C1 ZINC000408268714 252231648 /nfs/dbraw/zinc/23/16/48/252231648.db2.gz DCBNZBPYHHIKMK-NXEZZACHSA-N 1 2 291.373 -1.404 20 0 CAADLO C[N@H+]1CCO[C@@H](C(=O)N2CCC[C@@H]2CS(N)(=O)=O)C1 ZINC000408268714 252231652 /nfs/dbraw/zinc/23/16/52/252231652.db2.gz DCBNZBPYHHIKMK-NXEZZACHSA-N 1 2 291.373 -1.404 20 0 CAADLO C[N@@H+]1CCO[C@H](C(=O)N2CCC[C@@H]2CS(N)(=O)=O)C1 ZINC000408268717 252231995 /nfs/dbraw/zinc/23/19/95/252231995.db2.gz DCBNZBPYHHIKMK-ZJUUUORDSA-N 1 2 291.373 -1.404 20 0 CAADLO C[N@H+]1CCO[C@H](C(=O)N2CCC[C@@H]2CS(N)(=O)=O)C1 ZINC000408268717 252231997 /nfs/dbraw/zinc/23/19/97/252231997.db2.gz DCBNZBPYHHIKMK-ZJUUUORDSA-N 1 2 291.373 -1.404 20 0 CAADLO C[N@@H+]1CCO[C@H](C(=O)N2CCC[C@H]2CS(N)(=O)=O)C1 ZINC000408268715 252232149 /nfs/dbraw/zinc/23/21/49/252232149.db2.gz DCBNZBPYHHIKMK-UWVGGRQHSA-N 1 2 291.373 -1.404 20 0 CAADLO C[N@H+]1CCO[C@H](C(=O)N2CCC[C@H]2CS(N)(=O)=O)C1 ZINC000408268715 252232153 /nfs/dbraw/zinc/23/21/53/252232153.db2.gz DCBNZBPYHHIKMK-UWVGGRQHSA-N 1 2 291.373 -1.404 20 0 CAADLO CNC(=O)C1CN(C(=O)[C@@H](C)[NH+]2CCN(C)CC2)C1 ZINC000408268782 252232299 /nfs/dbraw/zinc/23/22/99/252232299.db2.gz ORLZWFVUOMSMLU-SNVBAGLBSA-N 1 2 268.361 -1.173 20 0 CAADLO CN1C[C@@H](C(=O)N2CC[NH+](C(C)(C)C(N)=O)CC2)CC1=O ZINC000408322170 252234867 /nfs/dbraw/zinc/23/48/67/252234867.db2.gz XPFNGNJAUDIRSH-JTQLQIEISA-N 1 2 296.371 -1.127 20 0 CAADLO CNC(=O)C[N@@H+]1CCC[C@H](CNS(C)(=O)=O)C1 ZINC000408373583 252236264 /nfs/dbraw/zinc/23/62/64/252236264.db2.gz HLBXKZMCPCEPHC-SECBINFHSA-N 1 2 263.363 -1.006 20 0 CAADLO CNC(=O)C[N@H+]1CCC[C@H](CNS(C)(=O)=O)C1 ZINC000408373583 252236270 /nfs/dbraw/zinc/23/62/70/252236270.db2.gz HLBXKZMCPCEPHC-SECBINFHSA-N 1 2 263.363 -1.006 20 0 CAADLO C[C@@H]1CN(S(=O)(=O)N2CCOCC2)CC[N@@H+]1CCO ZINC000408365001 252237172 /nfs/dbraw/zinc/23/71/72/252237172.db2.gz DQLOQKWKKVNTEQ-LLVKDONJSA-N 1 2 293.389 -1.438 20 0 CAADLO C[C@@H]1CN(S(=O)(=O)N2CCOCC2)CC[N@H+]1CCO ZINC000408365001 252237175 /nfs/dbraw/zinc/23/71/75/252237175.db2.gz DQLOQKWKKVNTEQ-LLVKDONJSA-N 1 2 293.389 -1.438 20 0 CAADLO CN(C)[C@@H](C(=O)N[C@H]1CC(=O)N(C)C1=O)c1c[nH+]cn1C ZINC000516192567 252253813 /nfs/dbraw/zinc/25/38/13/252253813.db2.gz FCUSKDNMTKHSPH-GZMMTYOYSA-N 1 2 293.327 -1.104 20 0 CAADLO COC(=O)[C@@H]1CNC(=O)CN1C(=O)C[NH+]1CC(C)(C)C1 ZINC000516085148 252254881 /nfs/dbraw/zinc/25/48/81/252254881.db2.gz KQWVOHQWKLXMSZ-VIFPVBQESA-N 1 2 283.328 -1.172 20 0 CAADLO COCCN1CCN(C(=O)[C@H]2COCC[NH2+]2)CC1=O ZINC000424169533 532958642 /nfs/dbraw/zinc/95/86/42/532958642.db2.gz IHEKDOJGLWZBNS-SNVBAGLBSA-N 1 2 271.317 -1.708 20 0 CAADLO C[C@@H]1[C@@H](CO)CCN1C(=O)C(=O)N1CC[NH+](C)CC1 ZINC000410742071 252244248 /nfs/dbraw/zinc/24/42/48/252244248.db2.gz HIIZBEHACHJZSV-GHMZBOCLSA-N 1 2 269.345 -1.010 20 0 CAADLO CC(=O)N1CCN(C(=O)C(=O)N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000410651784 252244723 /nfs/dbraw/zinc/24/47/23/252244723.db2.gz JAJPIINNRYKFTP-NSHDSACASA-N 1 2 296.371 -1.160 20 0 CAADLO CC[NH+]1CCN(C(=O)C(=O)N(C)[C@@H](C)CO)CC1 ZINC000410600889 252244776 /nfs/dbraw/zinc/24/47/76/252244776.db2.gz GWIMLAJUBMYSJS-JTQLQIEISA-N 1 2 257.334 -1.010 20 0 CAADLO CCN1CCN(C(=O)C(=O)N2CC[NH+](C)CC2)CC1=O ZINC000410716458 252244869 /nfs/dbraw/zinc/24/48/69/252244869.db2.gz SGBDWRIJJWKZQO-UHFFFAOYSA-N 1 2 282.344 -1.549 20 0 CAADLO C[C@H](O)C[C@@H]1COCCN1C(=O)C(=O)N1CC[NH+](C)CC1 ZINC000410997921 252244893 /nfs/dbraw/zinc/24/48/93/252244893.db2.gz MFAFLHOGXRULEZ-NWDGAFQWSA-N 1 2 299.371 -1.241 20 0 CAADLO COC[C@@H]1CN(C(=O)C(=O)N2CC[NH+](C)CC2)CCO1 ZINC000410691531 252245149 /nfs/dbraw/zinc/24/51/49/252245149.db2.gz VVKKCCOJRPSFKO-NSHDSACASA-N 1 2 285.344 -1.366 20 0 CAADLO C[C@H]1CN(C(=O)C(=O)N2CC[NH+](C)CC2)CC(=O)N1C ZINC000410677540 252245171 /nfs/dbraw/zinc/24/51/71/252245171.db2.gz SEHSXBYALSQGJF-JTQLQIEISA-N 1 2 282.344 -1.551 20 0 CAADLO C[C@H](O)C[C@H]1COCCN1C(=O)C(=O)N1CC[NH+](C)CC1 ZINC000410997922 252245253 /nfs/dbraw/zinc/24/52/53/252245253.db2.gz MFAFLHOGXRULEZ-RYUDHWBXSA-N 1 2 299.371 -1.241 20 0 CAADLO O=C(CN1CC[NH2+]CC1=O)N1CCC[C@@H](n2ccnn2)C1 ZINC000514857436 252250325 /nfs/dbraw/zinc/25/03/25/252250325.db2.gz PQGUFQLBASOGES-LLVKDONJSA-N 1 2 292.343 -1.127 20 0 CAADLO O=C(CN1CC[NH2+]CC1=O)N1CCC[C@H](n2ccnn2)C1 ZINC000514857437 252251348 /nfs/dbraw/zinc/25/13/48/252251348.db2.gz PQGUFQLBASOGES-NSHDSACASA-N 1 2 292.343 -1.127 20 0 CAADLO CNC(=O)NC(=O)C[N@@H+]1CCC[C@]12CCNC2=O ZINC000514870900 252252105 /nfs/dbraw/zinc/25/21/05/252252105.db2.gz NOVKKAHFLRJSQT-LLVKDONJSA-N 1 2 254.290 -1.204 20 0 CAADLO CNC(=O)NC(=O)C[N@H+]1CCC[C@]12CCNC2=O ZINC000514870900 252252108 /nfs/dbraw/zinc/25/21/08/252252108.db2.gz NOVKKAHFLRJSQT-LLVKDONJSA-N 1 2 254.290 -1.204 20 0 CAADLO COCCN1CC[N@H+](CCCS(N)(=O)=O)CC1=O ZINC000351922150 532964402 /nfs/dbraw/zinc/96/44/02/532964402.db2.gz XIVFRBGIJCAYAS-UHFFFAOYSA-N 1 2 279.362 -1.544 20 0 CAADLO COCCN1CC[N@@H+](CCCS(N)(=O)=O)CC1=O ZINC000351922150 532964409 /nfs/dbraw/zinc/96/44/09/532964409.db2.gz XIVFRBGIJCAYAS-UHFFFAOYSA-N 1 2 279.362 -1.544 20 0 CAADLO COCCNC(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000434196051 533005316 /nfs/dbraw/zinc/00/53/16/533005316.db2.gz KSWJCBSKPWKBMN-LLVKDONJSA-N 1 2 275.349 -1.033 20 0 CAADLO COC(=O)[C@@H]1C[N@H+](CCC(=O)NC(N)=O)CCO1 ZINC000112672206 533012281 /nfs/dbraw/zinc/01/22/81/533012281.db2.gz JLHRGEGVUBUYFI-ZETCQYMHSA-N 1 2 259.262 -1.555 20 0 CAADLO COC(=O)[C@@H]1C[N@@H+](CCC(=O)NC(N)=O)CCO1 ZINC000112672206 533012286 /nfs/dbraw/zinc/01/22/86/533012286.db2.gz JLHRGEGVUBUYFI-ZETCQYMHSA-N 1 2 259.262 -1.555 20 0 CAADLO COC(=O)[C@@H]1CNC(=O)CN1C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493271948 533017476 /nfs/dbraw/zinc/01/74/76/533017476.db2.gz ZOSGGBVVEQHPNM-SGJFDWMWSA-N 1 2 278.268 -1.077 20 0 CAADLO COC(=O)[C@@H]1CNC(=O)CN1C(=O)/C=C\c1[nH]cc[nH+]1 ZINC000493271942 533017809 /nfs/dbraw/zinc/01/78/09/533017809.db2.gz ZOSGGBVVEQHPNM-KZUAUGPASA-N 1 2 278.268 -1.077 20 0 CAADLO COC(=O)[C@@H]1CNC(=O)CN1C(=O)CCn1cc[nH+]c1 ZINC000344837312 533018042 /nfs/dbraw/zinc/01/80/42/533018042.db2.gz BJUSMVASPWCOGB-VIFPVBQESA-N 1 2 280.284 -1.227 20 0 CAADLO COC(=O)[C@@H]1C[C@@H]1C(=O)N1CC[NH+](CCO)CC1 ZINC000105887934 533048648 /nfs/dbraw/zinc/04/86/48/533048648.db2.gz NOIQYBVEBSMNBT-VHSXEESVSA-N 1 2 256.302 -1.068 20 0 CAADLO COC(=O)[C@@H]1C[C@H]1C(=O)N1CC[NH+](CCO)CC1 ZINC000105887939 533069756 /nfs/dbraw/zinc/06/97/56/533069756.db2.gz NOIQYBVEBSMNBT-NXEZZACHSA-N 1 2 256.302 -1.068 20 0 CAADLO COC(=O)[C@H](C)CC(=O)N[C@@H](CO)C[NH+]1CCOCC1 ZINC000425290684 533159693 /nfs/dbraw/zinc/15/96/93/533159693.db2.gz PEUSSCHWEHDPPR-GHMZBOCLSA-N 1 2 288.344 -1.005 20 0 CAADLO COC[C@](C)(NC[C@@H](O)C[NH+]1CCOCC1)C(=O)OC ZINC000347550429 533190516 /nfs/dbraw/zinc/19/05/16/533190516.db2.gz PQLQGJAAZHHRFV-YPMHNXCESA-N 1 2 290.360 -1.153 20 0 CAADLO CC(=O)c1nc(C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)cn1C ZINC001193840569 781976908 /nfs/dbraw/zinc/97/69/08/781976908.db2.gz DZOXSLAERWQOBG-QXEWZRGKSA-N 1 2 293.331 -2.245 20 0 CAADLO C[C@H]([C@H](C)NC(=O)C(=O)N(C)CCO)[NH+]1CCOCC1 ZINC000343355699 299601737 /nfs/dbraw/zinc/60/17/37/299601737.db2.gz ZJDBRRLYBBXRDL-WDEREUQCSA-N 1 2 287.360 -1.338 20 0 CAADLO CC[N@@H+]1CCOC[C@H]1C(=O)N1CCO[C@H](C(=O)NC)C1 ZINC000408175042 285351627 /nfs/dbraw/zinc/35/16/27/285351627.db2.gz WTZZTMKOLJRMQI-QWRGUYRKSA-N 1 2 285.344 -1.320 20 0 CAADLO CC[N@H+]1CCOC[C@H]1C(=O)N1CCO[C@H](C(=O)NC)C1 ZINC000408175042 285351634 /nfs/dbraw/zinc/35/16/34/285351634.db2.gz WTZZTMKOLJRMQI-QWRGUYRKSA-N 1 2 285.344 -1.320 20 0 CAADLO CS(=O)(=O)CCC(=O)N[C@@H]1C[N@H+](CCCF)C[C@H]1O ZINC001194176728 781984507 /nfs/dbraw/zinc/98/45/07/781984507.db2.gz GLTLZTLDSIMTIC-NXEZZACHSA-N 1 2 296.364 -1.058 20 0 CAADLO CS(=O)(=O)CCC(=O)N[C@@H]1C[N@@H+](CCCF)C[C@H]1O ZINC001194176728 781984514 /nfs/dbraw/zinc/98/45/14/781984514.db2.gz GLTLZTLDSIMTIC-NXEZZACHSA-N 1 2 296.364 -1.058 20 0 CAADLO C[C@H](C(=O)N[C@@H]1C[N@H+](CC2CC2)C[C@H]1O)S(C)(=O)=O ZINC001194143849 781986015 /nfs/dbraw/zinc/98/60/15/781986015.db2.gz ONZXBZIPVJMXEU-FBIMIBRVSA-N 1 2 290.385 -1.009 20 0 CAADLO C[C@H](C(=O)N[C@@H]1C[N@@H+](CC2CC2)C[C@H]1O)S(C)(=O)=O ZINC001194143849 781986025 /nfs/dbraw/zinc/98/60/25/781986025.db2.gz ONZXBZIPVJMXEU-FBIMIBRVSA-N 1 2 290.385 -1.009 20 0 CAADLO CC(=O)N[C@H](C)C(=O)N1CCC[N@@H+]([C@H]2CCNC2=O)CC1 ZINC001194754715 781993523 /nfs/dbraw/zinc/99/35/23/781993523.db2.gz NCGUAFXYIWQZCZ-PWSUYJOCSA-N 1 2 296.371 -1.066 20 0 CAADLO CC(=O)N[C@H](C)C(=O)N1CCC[N@H+]([C@H]2CCNC2=O)CC1 ZINC001194754715 781993531 /nfs/dbraw/zinc/99/35/31/781993531.db2.gz NCGUAFXYIWQZCZ-PWSUYJOCSA-N 1 2 296.371 -1.066 20 0 CAADLO COCC1(C(=O)N[C@@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@H]2O)CC1 ZINC001194661433 781991908 /nfs/dbraw/zinc/99/19/08/781991908.db2.gz LKQFGNANXKBHRC-GMTAPVOTSA-N 1 2 297.355 -1.537 20 0 CAADLO COCC1(C(=O)N[C@@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]2O)CC1 ZINC001194661433 781991921 /nfs/dbraw/zinc/99/19/21/781991921.db2.gz LKQFGNANXKBHRC-GMTAPVOTSA-N 1 2 297.355 -1.537 20 0 CAADLO CC(=O)NCC(=O)N1CCC[N@H+](CC(N)=O)CC1 ZINC001194689554 781992263 /nfs/dbraw/zinc/99/22/63/781992263.db2.gz ITLCSBRZWSWHDN-UHFFFAOYSA-N 1 2 256.306 -1.858 20 0 CAADLO CC(=O)NCC(=O)N1CCC[N@@H+](CC(N)=O)CC1 ZINC001194689554 781992273 /nfs/dbraw/zinc/99/22/73/781992273.db2.gz ITLCSBRZWSWHDN-UHFFFAOYSA-N 1 2 256.306 -1.858 20 0 CAADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)CNC(C)=O)CC1 ZINC001194689511 781992980 /nfs/dbraw/zinc/99/29/80/781992980.db2.gz FMFSFFLZZSMDAB-UHFFFAOYSA-N 1 2 284.360 -1.207 20 0 CAADLO CCNC(=O)C[N@H+]1CCCN(C(=O)CNC(C)=O)CC1 ZINC001194689511 781992990 /nfs/dbraw/zinc/99/29/90/781992990.db2.gz FMFSFFLZZSMDAB-UHFFFAOYSA-N 1 2 284.360 -1.207 20 0 CAADLO COCC(C)(C)C(=O)N[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@H]1O ZINC001194704695 781993066 /nfs/dbraw/zinc/99/30/66/781993066.db2.gz SJJZMPOQAQADES-OUAUKWLOSA-N 1 2 299.371 -1.291 20 0 CAADLO COCC(C)(C)C(=O)N[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@H]1O ZINC001194704695 781993073 /nfs/dbraw/zinc/99/30/73/781993073.db2.gz SJJZMPOQAQADES-OUAUKWLOSA-N 1 2 299.371 -1.291 20 0 CAADLO C[C@@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)CNC(N)=O)CC1 ZINC000332143928 533242798 /nfs/dbraw/zinc/24/27/98/533242798.db2.gz HFEZFGDBQORYKX-VIFPVBQESA-N 1 2 297.359 -1.534 20 0 CAADLO C[C@@H](C(=O)NC[C@H]1C[NH+]2CCN1CC2)N1CCOCC1 ZINC000437744542 533278210 /nfs/dbraw/zinc/27/82/10/533278210.db2.gz KIBITZZBOXJWLO-STQMWFEESA-N 1 2 282.388 -1.177 20 0 CAADLO COC(=O)CCCNC(=O)CN1CC[NH2+]CC1=O ZINC000429750011 533384388 /nfs/dbraw/zinc/38/43/88/533384388.db2.gz GIESJSMQSISQMK-UHFFFAOYSA-N 1 2 257.290 -1.512 20 0 CAADLO COCC[N@H+](CC(=O)N1CCNC1=O)[C@H](C)C(N)=O ZINC000436128189 533320621 /nfs/dbraw/zinc/32/06/21/533320621.db2.gz MDADVIFYCJFPHE-MRVPVSSYSA-N 1 2 272.305 -1.640 20 0 CAADLO COCC[N@@H+](CC(=O)N1CCNC1=O)[C@H](C)C(N)=O ZINC000436128189 533320629 /nfs/dbraw/zinc/32/06/29/533320629.db2.gz MDADVIFYCJFPHE-MRVPVSSYSA-N 1 2 272.305 -1.640 20 0 CAADLO CS(=O)(=O)NCC[N@@H+]1CCN2C(=O)NC[C@@H]2C1 ZINC000175880146 533397484 /nfs/dbraw/zinc/39/74/84/533397484.db2.gz MZCRXTZSZAVOSJ-MRVPVSSYSA-N 1 2 262.335 -1.755 20 0 CAADLO CS(=O)(=O)NCC[N@H+]1CCN2C(=O)NC[C@@H]2C1 ZINC000175880146 533397489 /nfs/dbraw/zinc/39/74/89/533397489.db2.gz MZCRXTZSZAVOSJ-MRVPVSSYSA-N 1 2 262.335 -1.755 20 0 CAADLO COC(=O)CCNC(=O)C[N@H+](C)[C@@H]1COC[C@H]1O ZINC000352792317 533432533 /nfs/dbraw/zinc/43/25/33/533432533.db2.gz LVBVBGQRGVNWIA-RKDXNWHRSA-N 1 2 260.290 -1.643 20 0 CAADLO COC(=O)CCNC(=O)C[N@@H+](C)[C@@H]1COC[C@H]1O ZINC000352792317 533432539 /nfs/dbraw/zinc/43/25/39/533432539.db2.gz LVBVBGQRGVNWIA-RKDXNWHRSA-N 1 2 260.290 -1.643 20 0 CAADLO COC(=O)CCNC(=O)C[N@H+](C)[C@H]1COC[C@H]1O ZINC000352792314 533432808 /nfs/dbraw/zinc/43/28/08/533432808.db2.gz LVBVBGQRGVNWIA-DTWKUNHWSA-N 1 2 260.290 -1.643 20 0 CAADLO COC(=O)CCNC(=O)C[N@@H+](C)[C@H]1COC[C@H]1O ZINC000352792314 533432813 /nfs/dbraw/zinc/43/28/13/533432813.db2.gz LVBVBGQRGVNWIA-DTWKUNHWSA-N 1 2 260.290 -1.643 20 0 CAADLO COC(=O)CNC(=O)C[N@@H+]1CCC[C@@H]1CS(N)(=O)=O ZINC000440654424 533520263 /nfs/dbraw/zinc/52/02/63/533520263.db2.gz SGTHUHNHUSSKKF-MRVPVSSYSA-N 1 2 293.345 -1.972 20 0 CAADLO COC(=O)CNC(=O)C[N@H+]1CCC[C@@H]1CS(N)(=O)=O ZINC000440654424 533520265 /nfs/dbraw/zinc/52/02/65/533520265.db2.gz SGTHUHNHUSSKKF-MRVPVSSYSA-N 1 2 293.345 -1.972 20 0 CAADLO COC(=O)CNC(=O)C[NH+]1CCN(c2cnn(C)c2)CC1 ZINC000175291897 533520617 /nfs/dbraw/zinc/52/06/17/533520617.db2.gz YAZKTCLSKGYEKL-UHFFFAOYSA-N 1 2 295.343 -1.169 20 0 CAADLO COC(=O)CNC(=O)C[N@H+]1C[C@@H](OC)[C@@H](OC)C1 ZINC000488026994 533522155 /nfs/dbraw/zinc/52/21/55/533522155.db2.gz OWUSGYBXEANFOC-DTORHVGOSA-N 1 2 260.290 -1.379 20 0 CAADLO COC(=O)CNC(=O)C[N@@H+]1C[C@@H](OC)[C@@H](OC)C1 ZINC000488026994 533522157 /nfs/dbraw/zinc/52/21/57/533522157.db2.gz OWUSGYBXEANFOC-DTORHVGOSA-N 1 2 260.290 -1.379 20 0 CAADLO CO[C@@H]1C[N@H+](CC(=O)N[C@@H](C)C(=O)N(C)C)C[C@@H]1OC ZINC000331130867 533472154 /nfs/dbraw/zinc/47/21/54/533472154.db2.gz SYAWOGGZYCXMKD-GARJFASQSA-N 1 2 287.360 -1.075 20 0 CAADLO CO[C@@H]1C[N@@H+](CC(=O)N[C@@H](C)C(=O)N(C)C)C[C@@H]1OC ZINC000331130867 533472158 /nfs/dbraw/zinc/47/21/58/533472158.db2.gz SYAWOGGZYCXMKD-GARJFASQSA-N 1 2 287.360 -1.075 20 0 CAADLO CO[C@@H]1C[N@H+](Cc2nc(N)nc(N)n2)C[C@@H]1OC ZINC000487961091 533479955 /nfs/dbraw/zinc/47/99/55/533479955.db2.gz NEGSMXJDIWWUNL-KNVOCYPGSA-N 1 2 254.294 -1.458 20 0 CAADLO CO[C@@H]1C[N@@H+](Cc2nc(N)nc(N)n2)C[C@@H]1OC ZINC000487961091 533479960 /nfs/dbraw/zinc/47/99/60/533479960.db2.gz NEGSMXJDIWWUNL-KNVOCYPGSA-N 1 2 254.294 -1.458 20 0 CAADLO COC(=O)[C@H]1CNC(=O)CN1C(=O)CCn1cc[nH+]c1 ZINC000344837311 533495037 /nfs/dbraw/zinc/49/50/37/533495037.db2.gz BJUSMVASPWCOGB-SECBINFHSA-N 1 2 280.284 -1.227 20 0 CAADLO COC(=O)[C@H]1CNC(=O)CN1C(=O)/C=C\c1[nH]cc[nH+]1 ZINC000493271951 533495322 /nfs/dbraw/zinc/49/53/22/533495322.db2.gz ZOSGGBVVEQHPNM-YAJNLLPGSA-N 1 2 278.268 -1.077 20 0 CAADLO COC(=O)CNC(=O)CC[N@@H+]1CCO[C@@H](C(=O)OC)C1 ZINC000348005299 533517435 /nfs/dbraw/zinc/51/74/35/533517435.db2.gz SLLCBYVYEFSWLS-SECBINFHSA-N 1 2 288.300 -1.461 20 0 CAADLO COC(=O)CNC(=O)CC[N@H+]1CCO[C@@H](C(=O)OC)C1 ZINC000348005299 533517436 /nfs/dbraw/zinc/51/74/36/533517436.db2.gz SLLCBYVYEFSWLS-SECBINFHSA-N 1 2 288.300 -1.461 20 0 CAADLO COC(=O)CNC(=O)CN1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000444407526 533519891 /nfs/dbraw/zinc/51/98/91/533519891.db2.gz NZYHJQOREKNUJY-UHFFFAOYSA-N 1 2 295.343 -1.184 20 0 CAADLO COC(=O)CNC(=O)C[N@@H+]1CCC[C@H]1CS(N)(=O)=O ZINC000440654426 533520000 /nfs/dbraw/zinc/52/00/00/533520000.db2.gz SGTHUHNHUSSKKF-QMMMGPOBSA-N 1 2 293.345 -1.972 20 0 CAADLO COC(=O)CNC(=O)C[N@H+]1CCC[C@H]1CS(N)(=O)=O ZINC000440654426 533520006 /nfs/dbraw/zinc/52/00/06/533520006.db2.gz SGTHUHNHUSSKKF-QMMMGPOBSA-N 1 2 293.345 -1.972 20 0 CAADLO C[C@@H](O)C(=O)N1CC[NH+]([C@H](C)C(=O)N(C)C)CC1 ZINC000152949316 533573251 /nfs/dbraw/zinc/57/32/51/533573251.db2.gz WATTXMMLRDKCGA-NXEZZACHSA-N 1 2 257.334 -1.012 20 0 CAADLO C[C@@H](O)C(=O)N1CC[NH+]([C@H]2CCN(C)C2=O)CC1 ZINC000153187932 533573684 /nfs/dbraw/zinc/57/36/84/533573684.db2.gz VGQDFBRIZROFEE-ZJUUUORDSA-N 1 2 255.318 -1.258 20 0 CAADLO COC(=O)COCC(=O)N[C@@H](CO)C[NH+]1CCOCC1 ZINC000425298775 533542168 /nfs/dbraw/zinc/54/21/68/533542168.db2.gz XOQOEMHVHJJRJL-SNVBAGLBSA-N 1 2 290.316 -2.015 20 0 CAADLO COC(=O)COCC(=O)N[C@H](CO)C[NH+]1CCOCC1 ZINC000425298772 533543098 /nfs/dbraw/zinc/54/30/98/533543098.db2.gz XOQOEMHVHJJRJL-JTQLQIEISA-N 1 2 290.316 -2.015 20 0 CAADLO COC(=O)[C@H]1C[C@@H]1C(=O)N1CC[NH+](CCO)CC1 ZINC000105887936 533544183 /nfs/dbraw/zinc/54/41/83/533544183.db2.gz NOIQYBVEBSMNBT-UWVGGRQHSA-N 1 2 256.302 -1.068 20 0 CAADLO COC(=O)[C@H]1C[C@H](O)C[N@@H+]1CCCOC(=O)NC(N)=O ZINC000492773829 533548317 /nfs/dbraw/zinc/54/83/17/533548317.db2.gz TXEMRBKOAXTTAP-JGVFFNPUSA-N 1 2 289.288 -1.210 20 0 CAADLO COC(=O)[C@H]1C[C@H](O)C[N@H+]1CCCOC(=O)NC(N)=O ZINC000492773829 533548324 /nfs/dbraw/zinc/54/83/24/533548324.db2.gz TXEMRBKOAXTTAP-JGVFFNPUSA-N 1 2 289.288 -1.210 20 0 CAADLO COC(=O)[C@](C)(O)C[N@@H+]1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC000332672945 533571389 /nfs/dbraw/zinc/57/13/89/533571389.db2.gz IVVZWIVUUNQISU-PRHODGIISA-N 1 2 285.300 -2.447 20 0 CAADLO COC(=O)[C@](C)(O)C[N@H+]1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC000332672945 533571392 /nfs/dbraw/zinc/57/13/92/533571392.db2.gz IVVZWIVUUNQISU-PRHODGIISA-N 1 2 285.300 -2.447 20 0 CAADLO COC(=O)C[C@@H]1C(=O)NCC[N@H+]1C[C@@](C)(O)C(=O)OC ZINC000429711724 533616284 /nfs/dbraw/zinc/61/62/84/533616284.db2.gz AKTBTFXPURFLKZ-PRHODGIISA-N 1 2 288.300 -1.726 20 0 CAADLO COC(=O)C[C@@H]1C(=O)NCC[N@@H+]1C[C@@](C)(O)C(=O)OC ZINC000429711724 533616290 /nfs/dbraw/zinc/61/62/90/533616290.db2.gz AKTBTFXPURFLKZ-PRHODGIISA-N 1 2 288.300 -1.726 20 0 CAADLO COC(=O)[C@]1(NC(=O)CN2CC[NH2+]CC2=O)CCOC1 ZINC000430067652 533629860 /nfs/dbraw/zinc/62/98/60/533629860.db2.gz CXNXDGREDTWQGK-LBPRGKRZSA-N 1 2 285.300 -2.134 20 0 CAADLO CC(=O)NCC(=O)N1CCC[N@@H+](Cc2cnnn2C)CC1 ZINC001194689869 781994803 /nfs/dbraw/zinc/99/48/03/781994803.db2.gz YAYXJPCKFNVNMC-UHFFFAOYSA-N 1 2 294.359 -1.015 20 0 CAADLO CC(=O)NCC(=O)N1CCC[N@H+](Cc2cnnn2C)CC1 ZINC001194689869 781994813 /nfs/dbraw/zinc/99/48/13/781994813.db2.gz YAYXJPCKFNVNMC-UHFFFAOYSA-N 1 2 294.359 -1.015 20 0 CAADLO COC(=O)C[C@@H]1C[N@H+](CCC(=O)NC(N)=O)CCO1 ZINC000148834812 533644526 /nfs/dbraw/zinc/64/45/26/533644526.db2.gz CAPXDHQMRHNNFD-MRVPVSSYSA-N 1 2 273.289 -1.165 20 0 CAADLO COC(=O)C[C@@H]1C[N@@H+](CCC(=O)NC(N)=O)CCO1 ZINC000148834812 533644533 /nfs/dbraw/zinc/64/45/33/533644533.db2.gz CAPXDHQMRHNNFD-MRVPVSSYSA-N 1 2 273.289 -1.165 20 0 CAADLO C[C@@H](O)C[NH+]1CCN(C(=O)C(=O)NCC(F)F)CC1 ZINC000444382083 533667613 /nfs/dbraw/zinc/66/76/13/533667613.db2.gz MQQWDCFTSKHGPX-MRVPVSSYSA-N 1 2 279.287 -1.107 20 0 CAADLO C[C@@H](O)C[NH+]1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC000172217462 533669221 /nfs/dbraw/zinc/66/92/21/533669221.db2.gz BIHMYLXKMZGBLU-SECBINFHSA-N 1 2 255.318 -1.210 20 0 CAADLO CC(C)Nc1nc(NCCO)[nH+]c(NC[C@@H]2CCOC2)n1 ZINC000341837012 130083113 /nfs/dbraw/zinc/08/31/13/130083113.db2.gz ALEJZUQDBKBOON-JTQLQIEISA-N 1 2 296.375 -1.190 20 0 CAADLO CC(C)Nc1nc(NCCO)nc(NC[C@@H]2CCOC2)[nH+]1 ZINC000341837012 130083115 /nfs/dbraw/zinc/08/31/15/130083115.db2.gz ALEJZUQDBKBOON-JTQLQIEISA-N 1 2 296.375 -1.190 20 0 CAADLO CC(C)Nc1nc(NC[C@@H]2CCOC2)nc(NCCO)[nH+]1 ZINC000341837012 130083116 /nfs/dbraw/zinc/08/31/16/130083116.db2.gz ALEJZUQDBKBOON-JTQLQIEISA-N 1 2 296.375 -1.190 20 0 CAADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)NCCc1nnnn1C ZINC000678501298 545608672 /nfs/dbraw/zinc/60/86/72/545608672.db2.gz AOKFFIHVSRGCTH-JTQLQIEISA-N 1 2 297.363 -1.228 20 0 CAADLO C[C@H](C[NH+]1CCOCC1)NC(=O)NCCc1nnnn1C ZINC000678501299 545608729 /nfs/dbraw/zinc/60/87/29/545608729.db2.gz AOKFFIHVSRGCTH-SNVBAGLBSA-N 1 2 297.363 -1.228 20 0 CAADLO Cn1nnnc1CCNC(=O)NCC[NH+]1CCOCC1 ZINC000678477179 545608746 /nfs/dbraw/zinc/60/87/46/545608746.db2.gz FFNBNIQLUMPNGU-UHFFFAOYSA-N 1 2 283.336 -1.616 20 0 CAADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)NCCc1nnnn1C ZINC000678505810 545608975 /nfs/dbraw/zinc/60/89/75/545608975.db2.gz KUCYJFPJMGHSIF-SNVBAGLBSA-N 1 2 297.363 -1.228 20 0 CAADLO C[C@@H]1COCC[N@H+]1CCNC(=O)NCCc1nnnn1C ZINC000678505810 545608980 /nfs/dbraw/zinc/60/89/80/545608980.db2.gz KUCYJFPJMGHSIF-SNVBAGLBSA-N 1 2 297.363 -1.228 20 0 CAADLO NC(=O)NCC(=O)N1CCC[N@H+](CC(=O)N2CCC2)CC1 ZINC001194811487 781995489 /nfs/dbraw/zinc/99/54/89/781995489.db2.gz RKTNHQBDGCBRGT-UHFFFAOYSA-N 1 2 297.359 -1.579 20 0 CAADLO NC(=O)NCC(=O)N1CCC[N@@H+](CC(=O)N2CCC2)CC1 ZINC001194811487 781995494 /nfs/dbraw/zinc/99/54/94/781995494.db2.gz RKTNHQBDGCBRGT-UHFFFAOYSA-N 1 2 297.359 -1.579 20 0 CAADLO CNC(=O)C[N@@H+]1CCCN(C(=O)CNC(N)=O)CC1 ZINC001194802849 781995833 /nfs/dbraw/zinc/99/58/33/781995833.db2.gz TUBCUYLZEWGMFK-UHFFFAOYSA-N 1 2 271.321 -2.065 20 0 CAADLO CNC(=O)C[N@H+]1CCCN(C(=O)CNC(N)=O)CC1 ZINC001194802849 781995838 /nfs/dbraw/zinc/99/58/38/781995838.db2.gz TUBCUYLZEWGMFK-UHFFFAOYSA-N 1 2 271.321 -2.065 20 0 CAADLO NC(=O)NCC(=O)N1CCC[N@H+](CC(=O)NC2CC2)CC1 ZINC001194811167 781996673 /nfs/dbraw/zinc/99/66/73/781996673.db2.gz LJUWXZQOTMAVOE-UHFFFAOYSA-N 1 2 297.359 -1.532 20 0 CAADLO NC(=O)NCC(=O)N1CCC[N@@H+](CC(=O)NC2CC2)CC1 ZINC001194811167 781996678 /nfs/dbraw/zinc/99/66/78/781996678.db2.gz LJUWXZQOTMAVOE-UHFFFAOYSA-N 1 2 297.359 -1.532 20 0 CAADLO CC[N@@H+]1CCOC[C@@H]1C(=O)NCCc1nnnn1C ZINC000678577817 545610023 /nfs/dbraw/zinc/61/00/23/545610023.db2.gz GODFQVCZEIBSLP-SECBINFHSA-N 1 2 268.321 -1.411 20 0 CAADLO CC[N@H+]1CCOC[C@@H]1C(=O)NCCc1nnnn1C ZINC000678577817 545610026 /nfs/dbraw/zinc/61/00/26/545610026.db2.gz GODFQVCZEIBSLP-SECBINFHSA-N 1 2 268.321 -1.411 20 0 CAADLO COC(=O)NCC(=O)N1CCC[N@H+](CC(N)=O)CC1 ZINC001195000118 781997428 /nfs/dbraw/zinc/99/74/28/781997428.db2.gz UZOACILKYGMAFD-UHFFFAOYSA-N 1 2 272.305 -1.638 20 0 CAADLO COC(=O)NCC(=O)N1CCC[N@@H+](CC(N)=O)CC1 ZINC001195000118 781997434 /nfs/dbraw/zinc/99/74/34/781997434.db2.gz UZOACILKYGMAFD-UHFFFAOYSA-N 1 2 272.305 -1.638 20 0 CAADLO C[C@@H](O)C[NH+]1CCN(C(=O)CSCC(N)=O)CC1 ZINC000444382461 533673787 /nfs/dbraw/zinc/67/37/87/533673787.db2.gz GDRCJBKZHODDIL-SECBINFHSA-N 1 2 275.374 -1.270 20 0 CAADLO CC(C)NC(=O)C[N@H+](C)CC(=O)NCCn1ccnn1 ZINC000679877641 545612934 /nfs/dbraw/zinc/61/29/34/545612934.db2.gz UZXFAFZWULEXDV-UHFFFAOYSA-N 1 2 282.348 -1.149 20 0 CAADLO CC(C)NC(=O)C[N@@H+](C)CC(=O)NCCn1ccnn1 ZINC000679877641 545612936 /nfs/dbraw/zinc/61/29/36/545612936.db2.gz UZXFAFZWULEXDV-UHFFFAOYSA-N 1 2 282.348 -1.149 20 0 CAADLO CC(=O)N(C)CC(=O)N1CCC[N@@H+]([C@H](C)C(N)=O)CC1 ZINC001194904544 781999177 /nfs/dbraw/zinc/99/91/77/781999177.db2.gz DXOMWSOZBVAMTK-SNVBAGLBSA-N 1 2 284.360 -1.127 20 0 CAADLO CC(=O)N(C)CC(=O)N1CCC[N@H+]([C@H](C)C(N)=O)CC1 ZINC001194904544 781999181 /nfs/dbraw/zinc/99/91/81/781999181.db2.gz DXOMWSOZBVAMTK-SNVBAGLBSA-N 1 2 284.360 -1.127 20 0 CAADLO COC[C@@](C)(CO)NC(=O)C[N@H+](C)CC(=O)NC(C)C ZINC000681076034 545613867 /nfs/dbraw/zinc/61/38/67/545613867.db2.gz QSAMYMIJKCXHJJ-CYBMUJFWSA-N 1 2 289.376 -1.044 20 0 CAADLO COC[C@@](C)(CO)NC(=O)C[N@@H+](C)CC(=O)NC(C)C ZINC000681076034 545613868 /nfs/dbraw/zinc/61/38/68/545613868.db2.gz QSAMYMIJKCXHJJ-CYBMUJFWSA-N 1 2 289.376 -1.044 20 0 CAADLO O=S(=O)(CCC[NH+]1CCOCC1)N1C[C@@H](O)[C@@H](O)C1 ZINC000680954732 545614240 /nfs/dbraw/zinc/61/42/40/545614240.db2.gz NUMSELLDABRNHL-PHIMTYICSA-N 1 2 294.373 -1.924 20 0 CAADLO CN1CC[C@H](C(=O)N2CC[NH+](C(C)(C)C(N)=O)CC2)C1=O ZINC000681300145 545614660 /nfs/dbraw/zinc/61/46/60/545614660.db2.gz HXXJYGPFIRBIMY-JTQLQIEISA-N 1 2 296.371 -1.127 20 0 CAADLO CN1CC[C@H](C(=O)NCC[NH+]2CCOCC2)C1=O ZINC000681221988 545614682 /nfs/dbraw/zinc/61/46/82/545614682.db2.gz HTBQTOMOPYVNAM-SNVBAGLBSA-N 1 2 255.318 -1.087 20 0 CAADLO CC(=O)N1CC[NH+](CCNC(=O)[C@@H]2CCN(C)C2=O)CC1 ZINC000681241280 545614766 /nfs/dbraw/zinc/61/47/66/545614766.db2.gz YVLXDPXXAZXVAM-LBPRGKRZSA-N 1 2 296.371 -1.255 20 0 CAADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)[C@@H]1CCN(C)C1=O ZINC000681304262 545614986 /nfs/dbraw/zinc/61/49/86/545614986.db2.gz MAOWYVSFUGVVCO-VXGBXAGGSA-N 1 2 299.371 -1.384 20 0 CAADLO CC(=O)N1CC[NH+](CCNC(=O)[C@H]2CCN(C)C2=O)CC1 ZINC000681241278 545615129 /nfs/dbraw/zinc/61/51/29/545615129.db2.gz YVLXDPXXAZXVAM-GFCCVEGCSA-N 1 2 296.371 -1.255 20 0 CAADLO CN1CC[C@H](C(=O)N(CCO)CC[NH+]2CCOCC2)C1=O ZINC000681534578 545615829 /nfs/dbraw/zinc/61/58/29/545615829.db2.gz ADOJIVSKMOFAFS-LBPRGKRZSA-N 1 2 299.371 -1.382 20 0 CAADLO C[C@@H](CO)C[N@@H+]1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 ZINC000682435024 545617229 /nfs/dbraw/zinc/61/72/29/545617229.db2.gz PKLMUHROMPSGBF-SNVBAGLBSA-N 1 2 297.359 -1.423 20 0 CAADLO C[C@@H](CO)C[N@H+]1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 ZINC000682435024 545617230 /nfs/dbraw/zinc/61/72/30/545617230.db2.gz PKLMUHROMPSGBF-SNVBAGLBSA-N 1 2 297.359 -1.423 20 0 CAADLO O=C(NCCN1CCNC(=O)C1)[C@@H]1CCc2[nH+]ccn2C1 ZINC000682529275 545617699 /nfs/dbraw/zinc/61/76/99/545617699.db2.gz VMAZOLFSMGZLJY-LLVKDONJSA-N 1 2 291.355 -1.007 20 0 CAADLO C[C@H](CO)C[N@@H+]1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 ZINC000682435009 545617752 /nfs/dbraw/zinc/61/77/52/545617752.db2.gz PKLMUHROMPSGBF-JTQLQIEISA-N 1 2 297.359 -1.423 20 0 CAADLO C[C@H](CO)C[N@H+]1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 ZINC000682435009 545617755 /nfs/dbraw/zinc/61/77/55/545617755.db2.gz PKLMUHROMPSGBF-JTQLQIEISA-N 1 2 297.359 -1.423 20 0 CAADLO COC(=O)NCC(=O)N1CCC[N@H+]([C@H](C)C(N)=O)CC1 ZINC001195044864 782000405 /nfs/dbraw/zinc/00/04/05/782000405.db2.gz PCCNMSXKYJEZTK-SECBINFHSA-N 1 2 286.332 -1.250 20 0 CAADLO COC(=O)NCC(=O)N1CCC[N@@H+]([C@H](C)C(N)=O)CC1 ZINC001195044864 782000397 /nfs/dbraw/zinc/00/03/97/782000397.db2.gz PCCNMSXKYJEZTK-SECBINFHSA-N 1 2 286.332 -1.250 20 0 CAADLO Cc1[nH+]c(N(C)CC(N)=O)nc(N(C)CC(N)=O)c1F ZINC000683893341 545619803 /nfs/dbraw/zinc/61/98/03/545619803.db2.gz LNJPNQILFQLTLH-UHFFFAOYSA-N 1 2 284.295 -1.233 20 0 CAADLO NC(=O)NC(=O)C[N@@H+]1CCCN(C(=O)[C@H]2CCOC2)CC1 ZINC001195088175 782000957 /nfs/dbraw/zinc/00/09/57/782000957.db2.gz AFCSLKUQZOEWJA-JTQLQIEISA-N 1 2 298.343 -1.248 20 0 CAADLO NC(=O)NC(=O)C[N@H+]1CCCN(C(=O)[C@H]2CCOC2)CC1 ZINC001195088175 782000965 /nfs/dbraw/zinc/00/09/65/782000965.db2.gz AFCSLKUQZOEWJA-JTQLQIEISA-N 1 2 298.343 -1.248 20 0 CAADLO CNC(=O)CN1C[C@@H](O)[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001195110148 782001051 /nfs/dbraw/zinc/00/10/51/782001051.db2.gz RRDSEFXWGPGRHJ-GHMZBOCLSA-N 1 2 295.343 -1.820 20 0 CAADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(C)(C)C(N)=O ZINC000683493397 545620263 /nfs/dbraw/zinc/62/02/63/545620263.db2.gz GKMMJAWSNMOSCY-JTQLQIEISA-N 1 2 287.360 -1.351 20 0 CAADLO C[C@@H](NS(=O)(=O)c1cnnn1C)[C@@H]1C[N@H+](C)CCO1 ZINC000684584980 545621541 /nfs/dbraw/zinc/62/15/41/545621541.db2.gz VMGFTMRKXWVFOC-BDAKNGLRSA-N 1 2 289.361 -1.188 20 0 CAADLO C[C@@H](NS(=O)(=O)c1cnnn1C)[C@@H]1C[N@@H+](C)CCO1 ZINC000684584980 545621543 /nfs/dbraw/zinc/62/15/43/545621543.db2.gz VMGFTMRKXWVFOC-BDAKNGLRSA-N 1 2 289.361 -1.188 20 0 CAADLO CN(C)C(=O)C[NH+]1CCN(Cc2nnn(C)n2)CC1 ZINC000685034330 545623365 /nfs/dbraw/zinc/62/33/65/545623365.db2.gz DQPPESVQKCUFTE-UHFFFAOYSA-N 1 2 267.337 -1.584 20 0 CAADLO O=C(NC(CO)CO)c1ccc(C[NH+]2CCOCC2)cn1 ZINC000685829150 545624323 /nfs/dbraw/zinc/62/43/23/545624323.db2.gz PHNDHLCVUQACJA-UHFFFAOYSA-N 1 2 295.339 -1.003 20 0 CAADLO O=C(NC[C@@H]1C[NH+]2CCN1CC2)[C@H]1COCCO1 ZINC000178728269 545623641 /nfs/dbraw/zinc/62/36/41/545623641.db2.gz NAKQNZCVTGDJRE-GHMZBOCLSA-N 1 2 255.318 -1.482 20 0 CAADLO CS(=O)(=O)N[C@@H]1CCC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC000178196201 545624126 /nfs/dbraw/zinc/62/41/26/545624126.db2.gz HEGHHTOGNKYCMI-RKDXNWHRSA-N 1 2 261.347 -1.112 20 0 CAADLO CS(=O)(=O)N[C@@H]1CCC[N@H+]([C@@H]2CCNC2=O)C1 ZINC000178196201 545624129 /nfs/dbraw/zinc/62/41/29/545624129.db2.gz HEGHHTOGNKYCMI-RKDXNWHRSA-N 1 2 261.347 -1.112 20 0 CAADLO O=C(NC[C@H]1C[NH+]2CCN1CC2)[C@@H]1COCCO1 ZINC000178728244 545624234 /nfs/dbraw/zinc/62/42/34/545624234.db2.gz NAKQNZCVTGDJRE-QWRGUYRKSA-N 1 2 255.318 -1.482 20 0 CAADLO COCC(=O)N1CC[NH+](C[C@](C)(O)C(=O)OC)CC1 ZINC000330739698 292177106 /nfs/dbraw/zinc/17/71/06/292177106.db2.gz QFEYOUAHWYUSEV-LBPRGKRZSA-N 1 2 274.317 -1.299 20 0 CAADLO CCN1CCN(CC(=O)NCc2c[nH+]cn2C)C(=O)C1=O ZINC000291329977 545624540 /nfs/dbraw/zinc/62/45/40/545624540.db2.gz VKQXGNMHICIIJG-UHFFFAOYSA-N 1 2 293.327 -1.273 20 0 CAADLO O=C(Cn1cnnn1)N1CC[NH+](Cc2cn[nH]c2)CC1 ZINC000685454366 545624406 /nfs/dbraw/zinc/62/44/06/545624406.db2.gz FUGHWEFMBSVFLT-UHFFFAOYSA-N 1 2 276.304 -1.259 20 0 CAADLO CC(=O)N1CC[NH+](CCNC(=O)CN2CCCC2=O)CC1 ZINC000046823880 545624991 /nfs/dbraw/zinc/62/49/91/545624991.db2.gz QFFNTISHFPRYDQ-UHFFFAOYSA-N 1 2 296.371 -1.111 20 0 CAADLO CO[C@H](C)C(=O)N1CCC[N@H+](CC(=O)NC(N)=O)CC1 ZINC001195036023 782001544 /nfs/dbraw/zinc/00/15/44/782001544.db2.gz XAVZBXBHPBYVLB-SECBINFHSA-N 1 2 286.332 -1.250 20 0 CAADLO CO[C@H](C)C(=O)N1CCC[N@@H+](CC(=O)NC(N)=O)CC1 ZINC001195036023 782001555 /nfs/dbraw/zinc/00/15/55/782001555.db2.gz XAVZBXBHPBYVLB-SECBINFHSA-N 1 2 286.332 -1.250 20 0 CAADLO C[C@H](C(N)=O)N1C[C@@H](O)[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001195128655 782001931 /nfs/dbraw/zinc/00/19/31/782001931.db2.gz MFRBSVVFWLHAOC-GMTAPVOTSA-N 1 2 295.343 -1.692 20 0 CAADLO CN(CC[NH+]1CCOCC1)C(=O)C(=O)N[C@H]1CCOC1 ZINC000672283994 545592677 /nfs/dbraw/zinc/59/26/77/545592677.db2.gz UKJRTNPGYFZSIH-NSHDSACASA-N 1 2 285.344 -1.318 20 0 CAADLO CCC(=O)NCC(=O)N1CCC[N@H+](CC(=O)NC)CC1 ZINC001195275008 782003620 /nfs/dbraw/zinc/00/36/20/782003620.db2.gz NOWFEUZUIBSRKQ-UHFFFAOYSA-N 1 2 284.360 -1.207 20 0 CAADLO CCC(=O)NCC(=O)N1CCC[N@@H+](CC(=O)NC)CC1 ZINC001195275008 782003630 /nfs/dbraw/zinc/00/36/30/782003630.db2.gz NOWFEUZUIBSRKQ-UHFFFAOYSA-N 1 2 284.360 -1.207 20 0 CAADLO C[C@@H](CC(N)=O)C(=O)N[C@@H]1C[N@H+](CCF)C[C@H]1O ZINC001195294454 782004376 /nfs/dbraw/zinc/00/43/76/782004376.db2.gz NEOKJSQWFRNEGA-DJLDLDEBSA-N 1 2 261.297 -1.371 20 0 CAADLO C[C@@H](CC(N)=O)C(=O)N[C@@H]1C[N@@H+](CCF)C[C@H]1O ZINC001195294454 782004384 /nfs/dbraw/zinc/00/43/84/782004384.db2.gz NEOKJSQWFRNEGA-DJLDLDEBSA-N 1 2 261.297 -1.371 20 0 CAADLO [NH3+][C@@H]1NCN(C(=O)c2cc(O)cnc2Cl)[C@@H]2NCN[C@@H]21 ZINC001195314520 782004652 /nfs/dbraw/zinc/00/46/52/782004652.db2.gz GUOLEUGUTWNFKV-QNSHHTMESA-N 1 2 298.734 -1.427 20 0 CAADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)CC(N)=O)CC1 ZINC001195364615 782005732 /nfs/dbraw/zinc/00/57/32/782005732.db2.gz XOKADKUFLWHQSH-UHFFFAOYSA-N 1 2 270.333 -1.468 20 0 CAADLO CCNC(=O)C[N@H+]1CCCN(C(=O)CC(N)=O)CC1 ZINC001195364615 782005736 /nfs/dbraw/zinc/00/57/36/782005736.db2.gz XOKADKUFLWHQSH-UHFFFAOYSA-N 1 2 270.333 -1.468 20 0 CAADLO Cc1ccc(O)c(C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@@H]32)n1 ZINC001195335085 782006870 /nfs/dbraw/zinc/00/68/70/782006870.db2.gz CRSMQEQEPGGBPL-OUAUKWLOSA-N 1 2 278.316 -1.772 20 0 CAADLO NC(=O)CC(=O)N1CCC[N@H+](CC(=O)NC(N)=O)CC1 ZINC001195364482 782007453 /nfs/dbraw/zinc/00/74/53/782007453.db2.gz SXLVPKHVZKJJLU-UHFFFAOYSA-N 1 2 285.304 -2.409 20 0 CAADLO NC(=O)CC(=O)N1CCC[N@@H+](CC(=O)NC(N)=O)CC1 ZINC001195364482 782007460 /nfs/dbraw/zinc/00/74/60/782007460.db2.gz SXLVPKHVZKJJLU-UHFFFAOYSA-N 1 2 285.304 -2.409 20 0 CAADLO Cn1c[nH+]c(CCNC(=O)c2cn(C)c(=O)n(C)c2=O)c1 ZINC001195541853 782008076 /nfs/dbraw/zinc/00/80/76/782008076.db2.gz XUDDDPRLFNVJMX-UHFFFAOYSA-N 1 2 291.311 -1.210 20 0 CAADLO CN(CC(=O)NC[C@@H]1C[NH+]2CCN1CC2)S(C)(=O)=O ZINC000090698835 289478246 /nfs/dbraw/zinc/47/82/46/289478246.db2.gz GZKLESTVAIDZOT-SNVBAGLBSA-N 1 2 290.389 -2.006 20 0 CAADLO C[C@H](C(=O)NC(N)=O)[N@@H+]1CCCN(S(C)(=O)=O)CC1 ZINC000408135076 298132956 /nfs/dbraw/zinc/13/29/56/298132956.db2.gz WBRXBIWZTCYBAZ-MRVPVSSYSA-N 1 2 292.361 -1.463 20 0 CAADLO C[C@H](C(=O)NC(N)=O)[N@H+]1CCCN(S(C)(=O)=O)CC1 ZINC000408135076 298132958 /nfs/dbraw/zinc/13/29/58/298132958.db2.gz WBRXBIWZTCYBAZ-MRVPVSSYSA-N 1 2 292.361 -1.463 20 0 CAADLO CNC(=O)CC(=O)N1CCC[N@@H+](CC(N)=O)CC1 ZINC001195625365 782011013 /nfs/dbraw/zinc/01/10/13/782011013.db2.gz JNGXCNBSNGEKHI-UHFFFAOYSA-N 1 2 256.306 -1.858 20 0 CAADLO CNC(=O)CC(=O)N1CCC[N@H+](CC(N)=O)CC1 ZINC001195625365 782011004 /nfs/dbraw/zinc/01/10/04/782011004.db2.gz JNGXCNBSNGEKHI-UHFFFAOYSA-N 1 2 256.306 -1.858 20 0 CAADLO C[C@@H]1CO[C@H](CO)CN1C[C@H](O)C[NH+]1CCOCC1 ZINC000153455872 297166218 /nfs/dbraw/zinc/16/62/18/297166218.db2.gz NFJWCODUWNOSMX-UPJWGTAASA-N 1 2 274.361 -1.239 20 0 CAADLO O=C1C[N@H+](C[C@H](O)COC[C@H]2CCCO2)CCN1 ZINC000072112823 409329282 /nfs/dbraw/zinc/32/92/82/409329282.db2.gz YSYTUPWPHBCAKA-WDEREUQCSA-N 1 2 258.318 -1.025 20 0 CAADLO O=C1C[N@@H+](C[C@H](O)COC[C@H]2CCCO2)CCN1 ZINC000072112823 409329287 /nfs/dbraw/zinc/32/92/87/409329287.db2.gz YSYTUPWPHBCAKA-WDEREUQCSA-N 1 2 258.318 -1.025 20 0 CAADLO O=C1C[N@H+](C[C@@H](O)COC[C@@H]2CCCO2)CCN1 ZINC000072112822 409328302 /nfs/dbraw/zinc/32/83/02/409328302.db2.gz YSYTUPWPHBCAKA-MNOVXSKESA-N 1 2 258.318 -1.025 20 0 CAADLO O=C1C[N@@H+](C[C@@H](O)COC[C@@H]2CCCO2)CCN1 ZINC000072112822 409328310 /nfs/dbraw/zinc/32/83/10/409328310.db2.gz YSYTUPWPHBCAKA-MNOVXSKESA-N 1 2 258.318 -1.025 20 0 CAADLO CNC(=O)[C@H]1CCN(C(=O)[C@@H]2COCC[N@@H+]2C)C1 ZINC000644491646 409368314 /nfs/dbraw/zinc/36/83/14/409368314.db2.gz DNLAZXKHLHXTPE-UWVGGRQHSA-N 1 2 255.318 -1.089 20 0 CAADLO CNC(=O)[C@H]1CCN(C(=O)[C@@H]2COCC[N@H+]2C)C1 ZINC000644491646 409368319 /nfs/dbraw/zinc/36/83/19/409368319.db2.gz DNLAZXKHLHXTPE-UWVGGRQHSA-N 1 2 255.318 -1.089 20 0 CAADLO Cn1nnc(CNc2nc3c(cnn3C)c(N)[nH+]2)n1 ZINC000362843614 409368595 /nfs/dbraw/zinc/36/85/95/409368595.db2.gz QKCOXTIVYCQMEB-UHFFFAOYSA-N 1 2 260.265 -0.919 20 0 CAADLO O=C(C(=O)N1CC[NH+]([C@H]2CCOC2)CC1)N1CCOCC1 ZINC000408058342 409371484 /nfs/dbraw/zinc/37/14/84/409371484.db2.gz ASYHIIVNBPIJRB-LBPRGKRZSA-N 1 2 297.355 -1.222 20 0 CAADLO CNC(=O)Cn1[nH]c(=[NH+]c2nc(N)nc(N)n2)cc1C ZINC000624077279 409400569 /nfs/dbraw/zinc/40/05/69/409400569.db2.gz DCFTWYBYLIOTOR-UHFFFAOYSA-N 1 2 277.292 -1.717 20 0 CAADLO C[C@@H](NC(=O)C[N@H+](C)C[C@H]1COCCO1)C(=O)N(C)C ZINC000661605718 409378505 /nfs/dbraw/zinc/37/85/05/409378505.db2.gz QJLJQTMPLYJNNL-MNOVXSKESA-N 1 2 287.360 -1.074 20 0 CAADLO C[C@@H](NC(=O)C[N@@H+](C)C[C@H]1COCCO1)C(=O)N(C)C ZINC000661605718 409378509 /nfs/dbraw/zinc/37/85/09/409378509.db2.gz QJLJQTMPLYJNNL-MNOVXSKESA-N 1 2 287.360 -1.074 20 0 CAADLO CN1C[C@@H](C[N@@H+]2CCN3C(=O)NC(=O)[C@H]3C2)OC1=O ZINC000497222157 409379265 /nfs/dbraw/zinc/37/92/65/409379265.db2.gz YGJQCCRJKUADPH-JGVFFNPUSA-N 1 2 268.273 -1.327 20 0 CAADLO CN1C[C@@H](C[N@H+]2CCN3C(=O)NC(=O)[C@H]3C2)OC1=O ZINC000497222157 409379272 /nfs/dbraw/zinc/37/92/72/409379272.db2.gz YGJQCCRJKUADPH-JGVFFNPUSA-N 1 2 268.273 -1.327 20 0 CAADLO NS(=O)(=O)c1cccnc1N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000651452685 409379322 /nfs/dbraw/zinc/37/93/22/409379322.db2.gz VRMPTRSBMUJWOU-SNVBAGLBSA-N 1 2 298.368 -1.016 20 0 CAADLO NS(=O)(=O)c1cccnc1N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000651452685 409379329 /nfs/dbraw/zinc/37/93/29/409379329.db2.gz VRMPTRSBMUJWOU-SNVBAGLBSA-N 1 2 298.368 -1.016 20 0 CAADLO O=C(NC[C@@H]1C[NH+]2CCN1CC2)[C@H]1CCS(=O)(=O)N1 ZINC000651553257 409383178 /nfs/dbraw/zinc/38/31/78/409383178.db2.gz LRVHOARBZLNCAI-NXEZZACHSA-N 1 2 288.373 -2.206 20 0 CAADLO O=S(=O)([C@H]1CCOC1)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000651882251 409391513 /nfs/dbraw/zinc/39/15/13/409391513.db2.gz IBVCTYDEFRKUPV-MNOVXSKESA-N 1 2 276.358 -1.144 20 0 CAADLO O=S(=O)([C@H]1CCOC1)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000651882251 409391518 /nfs/dbraw/zinc/39/15/18/409391518.db2.gz IBVCTYDEFRKUPV-MNOVXSKESA-N 1 2 276.358 -1.144 20 0 CAADLO Cn1cc(S(=O)(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)cn1 ZINC000651881871 409392478 /nfs/dbraw/zinc/39/24/78/409392478.db2.gz SKBRRDKCSXKEDV-SNVBAGLBSA-N 1 2 286.357 -1.140 20 0 CAADLO Cn1cc(S(=O)(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)cn1 ZINC000651881871 409392483 /nfs/dbraw/zinc/39/24/83/409392483.db2.gz SKBRRDKCSXKEDV-SNVBAGLBSA-N 1 2 286.357 -1.140 20 0 CAADLO C[C@H]1C(=O)N(C)CN1C(=O)C(=O)NCCc1cn(C)c[nH+]1 ZINC000647078692 409331142 /nfs/dbraw/zinc/33/11/42/409331142.db2.gz TXBLYSIITFDTCG-VIFPVBQESA-N 1 2 293.327 -1.275 20 0 CAADLO O=C(CN1CC[NH2+]CC1=O)N1CC[C@H]2COC[C@H]2C1 ZINC000662709379 409334947 /nfs/dbraw/zinc/33/49/47/409334947.db2.gz BCHDYESWNIWNEL-WDEREUQCSA-N 1 2 267.329 -1.087 20 0 CAADLO C[C@]1(C(N)=O)CCN(C(=O)CN2CC[NH2+]CC2=O)C1 ZINC000662902066 409337154 /nfs/dbraw/zinc/33/71/54/409337154.db2.gz KYTCGAZKCIGETM-LBPRGKRZSA-N 1 2 268.317 -1.858 20 0 CAADLO CCNC(=O)C[N@H+](CC)CCNS(C)(=O)=O ZINC000107298354 409342076 /nfs/dbraw/zinc/34/20/76/409342076.db2.gz PFAPANXEKWZRRF-UHFFFAOYSA-N 1 2 251.352 -1.006 20 0 CAADLO CCNC(=O)C[N@@H+](CC)CCNS(C)(=O)=O ZINC000107298354 409342085 /nfs/dbraw/zinc/34/20/85/409342085.db2.gz PFAPANXEKWZRRF-UHFFFAOYSA-N 1 2 251.352 -1.006 20 0 CAADLO Cn1c(N)c(C(=O)C[N@H+](C)[C@H]2CCOC2)c(=O)n(C)c1=O ZINC000106882074 409342161 /nfs/dbraw/zinc/34/21/61/409342161.db2.gz HUVMXZHTKXBZLN-QMMMGPOBSA-N 1 2 296.327 -1.430 20 0 CAADLO Cn1c(N)c(C(=O)C[N@@H+](C)[C@H]2CCOC2)c(=O)n(C)c1=O ZINC000106882074 409342165 /nfs/dbraw/zinc/34/21/65/409342165.db2.gz HUVMXZHTKXBZLN-QMMMGPOBSA-N 1 2 296.327 -1.430 20 0 CAADLO NC(=O)[C@@H]1CCCC[N@@H+]1CC(=O)N1CCNC1=O ZINC000120364746 409344383 /nfs/dbraw/zinc/34/43/83/409344383.db2.gz JKRCIUQGPHXXAJ-QMMMGPOBSA-N 1 2 254.290 -1.122 20 0 CAADLO NC(=O)[C@@H]1CCCC[N@H+]1CC(=O)N1CCNC1=O ZINC000120364746 409344389 /nfs/dbraw/zinc/34/43/89/409344389.db2.gz JKRCIUQGPHXXAJ-QMMMGPOBSA-N 1 2 254.290 -1.122 20 0 CAADLO CN1CC[N@H+](CCCN2C(=O)CNC2=O)CC1=O ZINC000119205829 409345307 /nfs/dbraw/zinc/34/53/07/409345307.db2.gz UFXAOZKJERJPFT-UHFFFAOYSA-N 1 2 254.290 -1.298 20 0 CAADLO CN1CC[N@@H+](CCCN2C(=O)CNC2=O)CC1=O ZINC000119205829 409345313 /nfs/dbraw/zinc/34/53/13/409345313.db2.gz UFXAOZKJERJPFT-UHFFFAOYSA-N 1 2 254.290 -1.298 20 0 CAADLO C[C@H](CO)[N@H+](C)CC(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000118945442 409345458 /nfs/dbraw/zinc/34/54/58/409345458.db2.gz NTLHEOHMOQJVAO-SSDOTTSWSA-N 1 2 284.316 -1.839 20 0 CAADLO C[C@H](CO)[N@@H+](C)CC(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000118945442 409345463 /nfs/dbraw/zinc/34/54/63/409345463.db2.gz NTLHEOHMOQJVAO-SSDOTTSWSA-N 1 2 284.316 -1.839 20 0 CAADLO OCCNc1nc(NC(CO)CO)[nH+]c2ccccc21 ZINC000525707372 409347624 /nfs/dbraw/zinc/34/76/24/409347624.db2.gz CLLZKLGCSIZTDA-UHFFFAOYSA-N 1 2 278.312 -1.357 20 0 CAADLO O=S(=O)(c1ncc[nH]1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000405227087 409347674 /nfs/dbraw/zinc/34/76/74/409347674.db2.gz OZJYCFYJIUWBID-DTWKUNHWSA-N 1 2 272.330 -1.151 20 0 CAADLO O=S(=O)(c1ncc[nH]1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000405227087 409347679 /nfs/dbraw/zinc/34/76/79/409347679.db2.gz OZJYCFYJIUWBID-DTWKUNHWSA-N 1 2 272.330 -1.151 20 0 CAADLO CN1CC[N@H+](C)[C@@H](CNC(=O)N[C@H]2C[C@@H](C(N)=O)C2)C1 ZINC000650865882 409347828 /nfs/dbraw/zinc/34/78/28/409347828.db2.gz XAFDSSMLAQSHPM-AXFHLTTASA-N 1 2 283.376 -1.205 20 0 CAADLO CN1CC[N@@H+](C)[C@@H](CNC(=O)N[C@H]2C[C@@H](C(N)=O)C2)C1 ZINC000650865882 409347830 /nfs/dbraw/zinc/34/78/30/409347830.db2.gz XAFDSSMLAQSHPM-AXFHLTTASA-N 1 2 283.376 -1.205 20 0 CAADLO CN1CC[N@H+](C)[C@H](CNC(=O)NC2COCCOC2)C1 ZINC000644154896 409350372 /nfs/dbraw/zinc/35/03/72/409350372.db2.gz GLMZBZOYGOKRJW-GFCCVEGCSA-N 1 2 286.376 -1.053 20 0 CAADLO CN1CC[N@@H+](C)[C@H](CNC(=O)NC2COCCOC2)C1 ZINC000644154896 409350377 /nfs/dbraw/zinc/35/03/77/409350377.db2.gz GLMZBZOYGOKRJW-GFCCVEGCSA-N 1 2 286.376 -1.053 20 0 CAADLO CS(=O)(=O)N[C@H]1CCC[N@@H+]([C@H]2CC(=O)NC2=O)C1 ZINC000653279444 409351600 /nfs/dbraw/zinc/35/16/00/409351600.db2.gz BUDVWVNSSOHGGE-YUMQZZPRSA-N 1 2 275.330 -1.585 20 0 CAADLO CS(=O)(=O)N[C@H]1CCC[N@H+]([C@H]2CC(=O)NC2=O)C1 ZINC000653279444 409351604 /nfs/dbraw/zinc/35/16/04/409351604.db2.gz BUDVWVNSSOHGGE-YUMQZZPRSA-N 1 2 275.330 -1.585 20 0 CAADLO CS(=O)(=O)N[C@@H]1CCC[N@@H+]([C@@H]2CC(=O)NC2=O)C1 ZINC000653279441 409352021 /nfs/dbraw/zinc/35/20/21/409352021.db2.gz BUDVWVNSSOHGGE-HTQZYQBOSA-N 1 2 275.330 -1.585 20 0 CAADLO CS(=O)(=O)N[C@@H]1CCC[N@H+]([C@@H]2CC(=O)NC2=O)C1 ZINC000653279441 409352023 /nfs/dbraw/zinc/35/20/23/409352023.db2.gz BUDVWVNSSOHGGE-HTQZYQBOSA-N 1 2 275.330 -1.585 20 0 CAADLO CCn1cc(N2C(=O)C[C@@H]([N@H+]3C[C@@H](O)[C@@H](O)C3)C2=O)cn1 ZINC000653281916 409352803 /nfs/dbraw/zinc/35/28/03/409352803.db2.gz FSJJGTUFIUAMIZ-MXWKQRLJSA-N 1 2 294.311 -1.428 20 0 CAADLO CCn1cc(N2C(=O)C[C@@H]([N@@H+]3C[C@@H](O)[C@@H](O)C3)C2=O)cn1 ZINC000653281916 409352809 /nfs/dbraw/zinc/35/28/09/409352809.db2.gz FSJJGTUFIUAMIZ-MXWKQRLJSA-N 1 2 294.311 -1.428 20 0 CAADLO CS(=O)(=O)N[C@H]1CCC[N@@H+]([C@@H]2CC(=O)NC2=O)C1 ZINC000653279442 409353168 /nfs/dbraw/zinc/35/31/68/409353168.db2.gz BUDVWVNSSOHGGE-JGVFFNPUSA-N 1 2 275.330 -1.585 20 0 CAADLO CS(=O)(=O)N[C@H]1CCC[N@H+]([C@@H]2CC(=O)NC2=O)C1 ZINC000653279442 409353171 /nfs/dbraw/zinc/35/31/71/409353171.db2.gz BUDVWVNSSOHGGE-JGVFFNPUSA-N 1 2 275.330 -1.585 20 0 CAADLO C[C@H]1C(=O)N(C)CN1C(=O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000647574780 409353182 /nfs/dbraw/zinc/35/31/82/409353182.db2.gz UXOCSZSEWHJQIA-JTQLQIEISA-N 1 2 294.355 -1.060 20 0 CAADLO CC[NH+]1CCN(C(=O)C(=O)N2CN(C)C(=O)[C@@H]2C)CC1 ZINC000647574093 409355154 /nfs/dbraw/zinc/35/51/54/409355154.db2.gz GAHSJRPMMOMUPH-JTQLQIEISA-N 1 2 282.344 -1.203 20 0 CAADLO C[C@H]1COCCN1CC[N@@H+]1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000407960739 409356444 /nfs/dbraw/zinc/35/64/44/409356444.db2.gz ZKTNTSWASRJDMR-QWRGUYRKSA-N 1 2 282.344 -1.057 20 0 CAADLO C[C@H]1COCCN1CC[N@H+]1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000407960739 409356450 /nfs/dbraw/zinc/35/64/50/409356450.db2.gz ZKTNTSWASRJDMR-QWRGUYRKSA-N 1 2 282.344 -1.057 20 0 CAADLO C[C@H]1COCCN1CC[N@@H+]1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000407960740 409356580 /nfs/dbraw/zinc/35/65/80/409356580.db2.gz ZKTNTSWASRJDMR-WDEREUQCSA-N 1 2 282.344 -1.057 20 0 CAADLO C[C@H]1COCCN1CC[N@H+]1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000407960740 409356584 /nfs/dbraw/zinc/35/65/84/409356584.db2.gz ZKTNTSWASRJDMR-WDEREUQCSA-N 1 2 282.344 -1.057 20 0 CAADLO C[C@H](C(=O)N(C)C)S(=O)(=O)NCC(F)(F)C[NH3+] ZINC000354139774 409459051 /nfs/dbraw/zinc/45/90/51/409459051.db2.gz UZQXJRYHGFVUON-ZCFIWIBFSA-N 1 2 273.305 -1.024 20 0 CAADLO COC[C@H](O)C[NH+]1CC(n2cc(C(=O)OC)nn2)C1 ZINC000353039965 409459225 /nfs/dbraw/zinc/45/92/25/409459225.db2.gz MTPTZLOUNNUOJU-SECBINFHSA-N 1 2 270.289 -1.071 20 0 CAADLO COC(=O)CN1CC[NH+](CC(=O)N2CCOCC2)CC1 ZINC000105037311 409459574 /nfs/dbraw/zinc/45/95/74/409459574.db2.gz BBGHKYIGRNAADB-UHFFFAOYSA-N 1 2 285.344 -1.364 20 0 CAADLO C[N@H+](CCNS(C)(=O)=O)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000336789358 409402822 /nfs/dbraw/zinc/40/28/22/409402822.db2.gz JAQMBMLLHWKAON-SECBINFHSA-N 1 2 299.418 -1.499 20 0 CAADLO C[N@@H+](CCNS(C)(=O)=O)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000336789358 409402824 /nfs/dbraw/zinc/40/28/24/409402824.db2.gz JAQMBMLLHWKAON-SECBINFHSA-N 1 2 299.418 -1.499 20 0 CAADLO COCC[NH+]1CCN(C(=O)C2(NC(N)=O)CC2)CC1 ZINC000331364113 409403339 /nfs/dbraw/zinc/40/33/39/409403339.db2.gz BBGRNZWYAOGYBS-UHFFFAOYSA-N 1 2 270.333 -1.022 20 0 CAADLO C[C@]1(C(=O)N[C@@H](CO)C[NH+]2CCOCC2)CCC(=O)NC1 ZINC000644886953 409405414 /nfs/dbraw/zinc/40/54/14/409405414.db2.gz JXVGEKGUWAJOFP-RISCZKNCSA-N 1 2 299.371 -1.288 20 0 CAADLO O=C(N[C@H](CO)C[NH+]1CCOCC1)c1cn[nH]c1 ZINC000644884983 409405570 /nfs/dbraw/zinc/40/55/70/409405570.db2.gz JYUGZZXURDDGMO-JTQLQIEISA-N 1 2 254.290 -1.167 20 0 CAADLO CN1C[C@@H](C(=O)N[C@H](CO)C[NH+]2CCOCC2)CC1=O ZINC000644885002 409405626 /nfs/dbraw/zinc/40/56/26/409405626.db2.gz KZBCPILUMFJZLY-QWRGUYRKSA-N 1 2 285.344 -1.726 20 0 CAADLO CC1(C(=O)N[C@@H](CO)C[NH+]2CCOCC2)COC1 ZINC000644885607 409405671 /nfs/dbraw/zinc/40/56/71/409405671.db2.gz SBZBYPQYQMMHOG-SNVBAGLBSA-N 1 2 258.318 -1.168 20 0 CAADLO CNC(=O)C1(C(=O)N[C@H](CO)C[NH+]2CCOCC2)CCC1 ZINC000644885387 409405747 /nfs/dbraw/zinc/40/57/47/409405747.db2.gz ACULAXLICDLMHE-NSHDSACASA-N 1 2 299.371 -1.288 20 0 CAADLO CN1C[C@H](C(=O)N[C@@H](CO)C[NH+]2CCOCC2)CC1=O ZINC000644885000 409405963 /nfs/dbraw/zinc/40/59/63/409405963.db2.gz KZBCPILUMFJZLY-GHMZBOCLSA-N 1 2 285.344 -1.726 20 0 CAADLO CCN1C[C@@H](C(=O)N[C@H](CO)C[NH+]2CCOCC2)CC1=O ZINC000644884849 409406282 /nfs/dbraw/zinc/40/62/82/409406282.db2.gz AUBNJBZPPYEINV-RYUDHWBXSA-N 1 2 299.371 -1.336 20 0 CAADLO CCNC(=O)CC(=O)N[C@H](CO)C[NH+]1CCOCC1 ZINC000644885305 409406475 /nfs/dbraw/zinc/40/64/75/409406475.db2.gz ALBQNYBFTHFUMI-JTQLQIEISA-N 1 2 273.333 -1.678 20 0 CAADLO C[C@@]1(C(=O)N[C@@H](CO)C[NH+]2CCOCC2)CCC(=O)NC1 ZINC000644886948 409406633 /nfs/dbraw/zinc/40/66/33/409406633.db2.gz JXVGEKGUWAJOFP-BXUZGUMPSA-N 1 2 299.371 -1.288 20 0 CAADLO C[C@]1(C(=O)N[C@H](CO)C[NH+]2CCOCC2)CCC(=O)NC1 ZINC000644886949 409406755 /nfs/dbraw/zinc/40/67/55/409406755.db2.gz JXVGEKGUWAJOFP-FZMZJTMJSA-N 1 2 299.371 -1.288 20 0 CAADLO CC(=O)N1CCOC[C@@H]1C(=O)N1CC[NH+](CCO)CC1 ZINC000339977681 409410158 /nfs/dbraw/zinc/41/01/58/409410158.db2.gz MHALPJKDSMCUOQ-GFCCVEGCSA-N 1 2 285.344 -1.630 20 0 CAADLO CS(=O)(=O)NCCCNc1[nH+]cnc2c1OCCN2 ZINC000647854178 409411296 /nfs/dbraw/zinc/41/12/96/409411296.db2.gz CTGDPDFTJNUHIV-UHFFFAOYSA-N 1 2 287.345 -1.255 20 0 CAADLO CS(=O)(=O)NCCCNc1nc[nH+]c2c1OCCN2 ZINC000647854178 409411304 /nfs/dbraw/zinc/41/13/04/409411304.db2.gz CTGDPDFTJNUHIV-UHFFFAOYSA-N 1 2 287.345 -1.255 20 0 CAADLO CNC(=O)C[NH+]1CCN(c2cc(=O)n(C)c(=O)n2C)CC1 ZINC000647855989 409412339 /nfs/dbraw/zinc/41/23/39/409412339.db2.gz IRYSFLFEHMOKHQ-UHFFFAOYSA-N 1 2 295.343 -2.048 20 0 CAADLO CN(CC[NH+]1CCOCC1)c1cc(=O)n(C)c(=O)n1C ZINC000647866275 409415464 /nfs/dbraw/zinc/41/54/64/409415464.db2.gz MFZGEGMMAROZDK-UHFFFAOYSA-N 1 2 282.344 -1.148 20 0 CAADLO CN(C[C@H](O)C[NH+]1CCOCC1)c1ncnn1C ZINC000647872095 409415762 /nfs/dbraw/zinc/41/57/62/409415762.db2.gz YCPYTHGOGCVPEM-JTQLQIEISA-N 1 2 255.322 -1.056 20 0 CAADLO Cn1cc[nH+]c1CNC(=O)C(=O)N1CCN(C)C(=O)C1 ZINC000653390654 409418865 /nfs/dbraw/zinc/41/88/65/409418865.db2.gz HKXKLJARMFHECH-UHFFFAOYSA-N 1 2 279.300 -1.663 20 0 CAADLO CS(=O)(=O)N[C@H]1CC[N@H+](CCc2c[nH]nn2)C1 ZINC000647964319 409419702 /nfs/dbraw/zinc/41/97/02/409419702.db2.gz CXSSRRRDAKDNAL-VIFPVBQESA-N 1 2 259.335 -1.029 20 0 CAADLO CS(=O)(=O)N[C@H]1CC[N@@H+](CCc2c[nH]nn2)C1 ZINC000647964319 409419708 /nfs/dbraw/zinc/41/97/08/409419708.db2.gz CXSSRRRDAKDNAL-VIFPVBQESA-N 1 2 259.335 -1.029 20 0 CAADLO CS(=O)(=O)N[C@@H]1CC[N@H+](CCc2c[nH]nn2)C1 ZINC000647964318 409420592 /nfs/dbraw/zinc/42/05/92/409420592.db2.gz CXSSRRRDAKDNAL-SECBINFHSA-N 1 2 259.335 -1.029 20 0 CAADLO CS(=O)(=O)N[C@@H]1CC[N@@H+](CCc2c[nH]nn2)C1 ZINC000647964318 409420596 /nfs/dbraw/zinc/42/05/96/409420596.db2.gz CXSSRRRDAKDNAL-SECBINFHSA-N 1 2 259.335 -1.029 20 0 CAADLO CC(C)NC(=O)C[N@H+](C)CC(=O)NC[C@H]1COCCO1 ZINC000342051913 409421063 /nfs/dbraw/zinc/42/10/63/409421063.db2.gz FPJFLDDXJDHPKW-NSHDSACASA-N 1 2 287.360 -1.026 20 0 CAADLO CC(C)NC(=O)C[N@@H+](C)CC(=O)NC[C@H]1COCCO1 ZINC000342051913 409421072 /nfs/dbraw/zinc/42/10/72/409421072.db2.gz FPJFLDDXJDHPKW-NSHDSACASA-N 1 2 287.360 -1.026 20 0 CAADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)Cn1ccc(=O)n(C)c1=O ZINC000345595047 409430442 /nfs/dbraw/zinc/43/04/42/409430442.db2.gz FVGOHZODRJSWHR-JTQLQIEISA-N 1 2 291.311 -1.052 20 0 CAADLO C[C@H](O)C(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000345871949 409432571 /nfs/dbraw/zinc/43/25/71/409432571.db2.gz DHJGHVKTGRQFAP-QWRGUYRKSA-N 1 2 285.344 -1.584 20 0 CAADLO COC(=O)CN(CC[NH+]1CCOCC1)CC(N)=O ZINC000346013504 409433514 /nfs/dbraw/zinc/43/35/14/409433514.db2.gz JBJKFODNLWSAKE-UHFFFAOYSA-N 1 2 259.306 -1.721 20 0 CAADLO C[C@H](O)C(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000345871950 409433716 /nfs/dbraw/zinc/43/37/16/409433716.db2.gz DHJGHVKTGRQFAP-WDEREUQCSA-N 1 2 285.344 -1.584 20 0 CAADLO C[C@H](O)C(=O)N1CC[NH+](CCCS(N)(=O)=O)CC1 ZINC000346223814 409434027 /nfs/dbraw/zinc/43/40/27/409434027.db2.gz YNUBWQGBMVNRHH-VIFPVBQESA-N 1 2 279.362 -1.810 20 0 CAADLO COC(=O)CNC(=O)[C@H](C)[N@@H+]1CCN2C(=O)CC[C@H]2C1 ZINC000346444040 409435423 /nfs/dbraw/zinc/43/54/23/409435423.db2.gz BBVPZZHTWWFCMY-UWVGGRQHSA-N 1 2 283.328 -1.029 20 0 CAADLO COC(=O)CNC(=O)[C@H](C)[N@H+]1CCN2C(=O)CC[C@H]2C1 ZINC000346444040 409435428 /nfs/dbraw/zinc/43/54/28/409435428.db2.gz BBVPZZHTWWFCMY-UWVGGRQHSA-N 1 2 283.328 -1.029 20 0 CAADLO CC[S@](=O)CC(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000346376411 409436077 /nfs/dbraw/zinc/43/60/77/409436077.db2.gz CYUZSTZXUVYPPX-WYRIXSBYSA-N 1 2 292.401 -1.094 20 0 CAADLO CC[S@](=O)CC(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000346376405 409436685 /nfs/dbraw/zinc/43/66/85/409436685.db2.gz CYUZSTZXUVYPPX-WLRWDXFRSA-N 1 2 292.401 -1.094 20 0 CAADLO COC(=O)CCNC(=O)C[N@@H+]1C[C@H](C)O[C@H](CO)C1 ZINC000346971377 409438535 /nfs/dbraw/zinc/43/85/35/409438535.db2.gz HCEBEGPPYJNZEN-UWVGGRQHSA-N 1 2 274.317 -1.253 20 0 CAADLO COC(=O)CCNC(=O)C[N@H+]1C[C@H](C)O[C@H](CO)C1 ZINC000346971377 409438539 /nfs/dbraw/zinc/43/85/39/409438539.db2.gz HCEBEGPPYJNZEN-UWVGGRQHSA-N 1 2 274.317 -1.253 20 0 CAADLO CC1(C)C[N@H+](CCNC(=O)CN2CC(=O)NC2=O)CCO1 ZINC000348843777 409438876 /nfs/dbraw/zinc/43/88/76/409438876.db2.gz QAOPYZGGEYIRIO-UHFFFAOYSA-N 1 2 298.343 -1.235 20 0 CAADLO CC1(C)C[N@@H+](CCNC(=O)CN2CC(=O)NC2=O)CCO1 ZINC000348843777 409438882 /nfs/dbraw/zinc/43/88/82/409438882.db2.gz QAOPYZGGEYIRIO-UHFFFAOYSA-N 1 2 298.343 -1.235 20 0 CAADLO O=C(NCC[NH+]1CCOCC1)C1=NN(CCO)C(=O)CC1 ZINC000367054490 409440046 /nfs/dbraw/zinc/44/00/46/409440046.db2.gz YLFAKCQKAQOCGP-UHFFFAOYSA-N 1 2 298.343 -1.595 20 0 CAADLO Cn1cc(C(=O)NCCC[N@@H+]2CCNC(=O)C2)nn1 ZINC000349077952 409441663 /nfs/dbraw/zinc/44/16/63/409441663.db2.gz QWODLSVHGKBVAZ-UHFFFAOYSA-N 1 2 266.305 -1.633 20 0 CAADLO Cn1cc(C(=O)NCCC[N@H+]2CCNC(=O)C2)nn1 ZINC000349077952 409441667 /nfs/dbraw/zinc/44/16/67/409441667.db2.gz QWODLSVHGKBVAZ-UHFFFAOYSA-N 1 2 266.305 -1.633 20 0 CAADLO COC(=O)CCNC(=O)C[N@H+](C)CCNC(=O)N(C)C ZINC000348948565 409441686 /nfs/dbraw/zinc/44/16/86/409441686.db2.gz MBYYZNVCYOKUFP-UHFFFAOYSA-N 1 2 288.348 -1.131 20 0 CAADLO COC(=O)CCNC(=O)C[N@@H+](C)CCNC(=O)N(C)C ZINC000348948565 409441688 /nfs/dbraw/zinc/44/16/88/409441688.db2.gz MBYYZNVCYOKUFP-UHFFFAOYSA-N 1 2 288.348 -1.131 20 0 CAADLO CCN(CC(=O)N(C)C)C(=O)CN1CC[NH2+]CC1=O ZINC000645486096 409445809 /nfs/dbraw/zinc/44/58/09/409445809.db2.gz DWRBCOFFZKWYMP-UHFFFAOYSA-N 1 2 270.333 -1.645 20 0 CAADLO CCOC(=O)CN(C)C(=O)C[N@@H+]1CCC[C@@H]1C(N)=O ZINC000354146334 409461568 /nfs/dbraw/zinc/46/15/68/409461568.db2.gz BHKWRJBRCLFFBY-SECBINFHSA-N 1 2 271.317 -1.042 20 0 CAADLO CCOC(=O)CN(C)C(=O)C[N@H+]1CCC[C@@H]1C(N)=O ZINC000354146334 409461573 /nfs/dbraw/zinc/46/15/73/409461573.db2.gz BHKWRJBRCLFFBY-SECBINFHSA-N 1 2 271.317 -1.042 20 0 CAADLO CN(C)S(=O)(=O)[C@H]1CCC[N@@H+]([C@H]2CC(=O)NC2=O)C1 ZINC000519648752 409446383 /nfs/dbraw/zinc/44/63/83/409446383.db2.gz QSNNVDXCYCBOPR-IUCAKERBSA-N 1 2 289.357 -1.243 20 0 CAADLO CN(C)S(=O)(=O)[C@H]1CCC[N@H+]([C@H]2CC(=O)NC2=O)C1 ZINC000519648752 409446385 /nfs/dbraw/zinc/44/63/85/409446385.db2.gz QSNNVDXCYCBOPR-IUCAKERBSA-N 1 2 289.357 -1.243 20 0 CAADLO Cn1cc(C[NH+]2CCN([C@@H]3CC(=O)NC3=O)CC2)cn1 ZINC000519701657 409446560 /nfs/dbraw/zinc/44/65/60/409446560.db2.gz GFNCURUPMCZQHI-LLVKDONJSA-N 1 2 277.328 -1.047 20 0 CAADLO CC[C@@](NC(=O)CN1CC[NH2+]CC1=O)(C(N)=O)C(C)C ZINC000519706097 409447262 /nfs/dbraw/zinc/44/72/62/409447262.db2.gz NBZHIMQQIPRMLC-ZDUSSCGKSA-N 1 2 284.360 -1.176 20 0 CAADLO C[N@H+]1CCN(C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)[C@@H](C[NH3+])C1 ZINC000519600101 409448039 /nfs/dbraw/zinc/44/80/39/409448039.db2.gz NUBAHOQJJUWGBM-QWRGUYRKSA-N 1 2 283.376 -2.044 20 0 CAADLO C[C@@H]1C[N@H+](CCCS(N)(=O)=O)C[C@H](CO)O1 ZINC000191787283 409448349 /nfs/dbraw/zinc/44/83/49/409448349.db2.gz JYOYFAZTPVNNKY-RKDXNWHRSA-N 1 2 252.336 -1.253 20 0 CAADLO C[C@@H]1C[N@@H+](CCCS(N)(=O)=O)C[C@H](CO)O1 ZINC000191787283 409448351 /nfs/dbraw/zinc/44/83/51/409448351.db2.gz JYOYFAZTPVNNKY-RKDXNWHRSA-N 1 2 252.336 -1.253 20 0 CAADLO C[N@H+]1CCN(C(=O)CNC(=O)[C@H]2CCC[NH2+]2)[C@H](C[NH3+])C1 ZINC000519600030 409448377 /nfs/dbraw/zinc/44/83/77/409448377.db2.gz NUBAHOQJJUWGBM-GHMZBOCLSA-N 1 2 283.376 -2.044 20 0 CAADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)CN1CN=NC1=O ZINC000329566335 409449011 /nfs/dbraw/zinc/44/90/11/409449011.db2.gz HMGFZMOMKKXAGX-SNVBAGLBSA-N 1 2 299.331 -1.865 20 0 CAADLO COC(=O)C1(O)CC[NH+](CCS(=O)(=O)N(C)C)CC1 ZINC000351754080 409449227 /nfs/dbraw/zinc/44/92/27/409449227.db2.gz YKNMHZPHFNNJDZ-UHFFFAOYSA-N 1 2 294.373 -1.122 20 0 CAADLO CN1CCN(CC(=O)N2C[C@@H]3OCC[N@H+](C)[C@H]3C2)CC1=O ZINC000329608332 409449706 /nfs/dbraw/zinc/44/97/06/409449706.db2.gz NBVLKKICVYBFOZ-RYUDHWBXSA-N 1 2 296.371 -1.698 20 0 CAADLO CN1CCN(CC(=O)N2C[C@@H]3OCC[N@@H+](C)[C@H]3C2)CC1=O ZINC000329608332 409449712 /nfs/dbraw/zinc/44/97/12/409449712.db2.gz NBVLKKICVYBFOZ-RYUDHWBXSA-N 1 2 296.371 -1.698 20 0 CAADLO Cc1[nH]c(C(=O)NCCOCCS(N)(=O)=O)c[nH+]1 ZINC000353250568 409449729 /nfs/dbraw/zinc/44/97/29/409449729.db2.gz COFQBEDHTLWCKP-UHFFFAOYSA-N 1 2 276.318 -1.247 20 0 CAADLO CCOC(=O)COCC[N@H+]1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000351712501 409449934 /nfs/dbraw/zinc/44/99/34/409449934.db2.gz PWIXVGQPDRPFIL-SECBINFHSA-N 1 2 285.300 -1.198 20 0 CAADLO CNC(=O)C[N@H+](C)CC(=O)N[C@@H](C(=O)OC)C(C)C ZINC000351333288 409450065 /nfs/dbraw/zinc/45/00/65/409450065.db2.gz BQOFYZOTVDGCPM-LLVKDONJSA-N 1 2 273.333 -1.022 20 0 CAADLO CNC(=O)C[N@@H+](C)CC(=O)N[C@@H](C(=O)OC)C(C)C ZINC000351333288 409450069 /nfs/dbraw/zinc/45/00/69/409450069.db2.gz BQOFYZOTVDGCPM-LLVKDONJSA-N 1 2 273.333 -1.022 20 0 CAADLO COC(=O)[C@@H](NC(=O)C[N@H+](C)CC(N)=O)C(C)C ZINC000351382301 409450254 /nfs/dbraw/zinc/45/02/54/409450254.db2.gz IARYKWYOTKWCLD-JTQLQIEISA-N 1 2 259.306 -1.283 20 0 CAADLO COC(=O)[C@@H](NC(=O)C[N@@H+](C)CC(N)=O)C(C)C ZINC000351382301 409450257 /nfs/dbraw/zinc/45/02/57/409450257.db2.gz IARYKWYOTKWCLD-JTQLQIEISA-N 1 2 259.306 -1.283 20 0 CAADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)CN1CN=NC1=O ZINC000329566331 409450618 /nfs/dbraw/zinc/45/06/18/409450618.db2.gz HMGFZMOMKKXAGX-JTQLQIEISA-N 1 2 299.331 -1.865 20 0 CAADLO CNC(=O)C[N@H+](C)CC(=O)N[C@H](C(=O)OC)C(C)C ZINC000351333291 409450714 /nfs/dbraw/zinc/45/07/14/409450714.db2.gz BQOFYZOTVDGCPM-NSHDSACASA-N 1 2 273.333 -1.022 20 0 CAADLO CNC(=O)C[N@@H+](C)CC(=O)N[C@H](C(=O)OC)C(C)C ZINC000351333291 409450715 /nfs/dbraw/zinc/45/07/15/409450715.db2.gz BQOFYZOTVDGCPM-NSHDSACASA-N 1 2 273.333 -1.022 20 0 CAADLO C[N@@H+]1CCO[C@H]2CN(C(=O)CN3CCOCC3=O)C[C@H]21 ZINC000329867952 409451708 /nfs/dbraw/zinc/45/17/08/409451708.db2.gz WUJBZGMFMMZSQA-MNOVXSKESA-N 1 2 283.328 -1.613 20 0 CAADLO C[N@H+]1CCO[C@H]2CN(C(=O)CN3CCOCC3=O)C[C@H]21 ZINC000329867952 409451712 /nfs/dbraw/zinc/45/17/12/409451712.db2.gz WUJBZGMFMMZSQA-MNOVXSKESA-N 1 2 283.328 -1.613 20 0 CAADLO C[N@@H+]1CCO[C@@H]2CN(C(=O)CN3CCOCC3=O)C[C@H]21 ZINC000329867951 409451761 /nfs/dbraw/zinc/45/17/61/409451761.db2.gz WUJBZGMFMMZSQA-GHMZBOCLSA-N 1 2 283.328 -1.613 20 0 CAADLO C[N@H+]1CCO[C@@H]2CN(C(=O)CN3CCOCC3=O)C[C@H]21 ZINC000329867951 409451767 /nfs/dbraw/zinc/45/17/67/409451767.db2.gz WUJBZGMFMMZSQA-GHMZBOCLSA-N 1 2 283.328 -1.613 20 0 CAADLO CN1CC(=O)N(CC(=O)N2C[C@H]3OCC[N@H+](C)[C@@H]3C2)C1=O ZINC000329941642 409451924 /nfs/dbraw/zinc/45/19/24/409451924.db2.gz VCOXRALFJZEJGF-NXEZZACHSA-N 1 2 296.327 -1.578 20 0 CAADLO CN1CC(=O)N(CC(=O)N2C[C@H]3OCC[N@@H+](C)[C@@H]3C2)C1=O ZINC000329941642 409451928 /nfs/dbraw/zinc/45/19/28/409451928.db2.gz VCOXRALFJZEJGF-NXEZZACHSA-N 1 2 296.327 -1.578 20 0 CAADLO C[C@@H]1C[N@H+](CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)C[C@@H]1O ZINC000351831847 409452159 /nfs/dbraw/zinc/45/21/59/409452159.db2.gz TXLIUCVPJGRRGI-SFYZADRCSA-N 1 2 296.327 -1.839 20 0 CAADLO C[C@@H]1C[N@@H+](CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)C[C@@H]1O ZINC000351831847 409452164 /nfs/dbraw/zinc/45/21/64/409452164.db2.gz TXLIUCVPJGRRGI-SFYZADRCSA-N 1 2 296.327 -1.839 20 0 CAADLO C[C@H]1COCCN1CC[N@@H+]1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC000329933332 409452271 /nfs/dbraw/zinc/45/22/71/409452271.db2.gz JDYQHKZKTGHGOM-RYUDHWBXSA-N 1 2 296.371 -1.650 20 0 CAADLO C[C@H]1COCCN1CC[N@H+]1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC000329933332 409452275 /nfs/dbraw/zinc/45/22/75/409452275.db2.gz JDYQHKZKTGHGOM-RYUDHWBXSA-N 1 2 296.371 -1.650 20 0 CAADLO CN1CC(=O)N(CC(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)C1=O ZINC000329941645 409452337 /nfs/dbraw/zinc/45/23/37/409452337.db2.gz VCOXRALFJZEJGF-ZJUUUORDSA-N 1 2 296.327 -1.578 20 0 CAADLO CN1CC(=O)N(CC(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)C1=O ZINC000329941645 409452340 /nfs/dbraw/zinc/45/23/40/409452340.db2.gz VCOXRALFJZEJGF-ZJUUUORDSA-N 1 2 296.327 -1.578 20 0 CAADLO C[N@@H+]1CCO[C@H]2CN(C(=O)CN3CC(=O)NC3=O)C[C@@H]21 ZINC000329914005 409453107 /nfs/dbraw/zinc/45/31/07/409453107.db2.gz CFMQUDPTFATJTJ-IUCAKERBSA-N 1 2 282.300 -1.080 20 0 CAADLO C[N@H+]1CCO[C@H]2CN(C(=O)CN3CC(=O)NC3=O)C[C@@H]21 ZINC000329914005 409453113 /nfs/dbraw/zinc/45/31/13/409453113.db2.gz CFMQUDPTFATJTJ-IUCAKERBSA-N 1 2 282.300 -1.080 20 0 CAADLO CN1CCO[C@H]2C[N@H+](CC(=O)N3CCNC(=O)C3)C[C@H]21 ZINC000329945869 409453151 /nfs/dbraw/zinc/45/31/51/409453151.db2.gz XNAHXYVMWMEEIS-MNOVXSKESA-N 1 2 282.344 -1.200 20 0 CAADLO CN1CCO[C@H]2C[N@@H+](CC(=O)N3CCNC(=O)C3)C[C@H]21 ZINC000329945869 409453154 /nfs/dbraw/zinc/45/31/54/409453154.db2.gz XNAHXYVMWMEEIS-MNOVXSKESA-N 1 2 282.344 -1.200 20 0 CAADLO C[N@@H+]1CCO[C@H]2CN(CC(=O)N3CCNC(=O)C3)C[C@H]21 ZINC000329945869 409453157 /nfs/dbraw/zinc/45/31/57/409453157.db2.gz XNAHXYVMWMEEIS-MNOVXSKESA-N 1 2 282.344 -1.200 20 0 CAADLO C[N@H+]1CCO[C@H]2CN(CC(=O)N3CCNC(=O)C3)C[C@H]21 ZINC000329945869 409453162 /nfs/dbraw/zinc/45/31/62/409453162.db2.gz XNAHXYVMWMEEIS-MNOVXSKESA-N 1 2 282.344 -1.200 20 0 CAADLO C[C@H]1COCCN1CC[N@@H+]1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC000329933331 409453245 /nfs/dbraw/zinc/45/32/45/409453245.db2.gz JDYQHKZKTGHGOM-NWDGAFQWSA-N 1 2 296.371 -1.650 20 0 CAADLO C[C@H]1COCCN1CC[N@H+]1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC000329933331 409453248 /nfs/dbraw/zinc/45/32/48/409453248.db2.gz JDYQHKZKTGHGOM-NWDGAFQWSA-N 1 2 296.371 -1.650 20 0 CAADLO C[C@H]1C[N@H+](CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)C[C@H]1O ZINC000351831846 409453304 /nfs/dbraw/zinc/45/33/04/409453304.db2.gz TXLIUCVPJGRRGI-JGVFFNPUSA-N 1 2 296.327 -1.839 20 0 CAADLO C[C@H]1C[N@@H+](CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)C[C@H]1O ZINC000351831846 409453307 /nfs/dbraw/zinc/45/33/07/409453307.db2.gz TXLIUCVPJGRRGI-JGVFFNPUSA-N 1 2 296.327 -1.839 20 0 CAADLO C[N@@H+]1CCO[C@@H]2CN(C(=O)CN3CC(=O)NC3=O)C[C@@H]21 ZINC000329914004 409453424 /nfs/dbraw/zinc/45/34/24/409453424.db2.gz CFMQUDPTFATJTJ-DTWKUNHWSA-N 1 2 282.300 -1.080 20 0 CAADLO C[N@H+]1CCO[C@@H]2CN(C(=O)CN3CC(=O)NC3=O)C[C@@H]21 ZINC000329914004 409453429 /nfs/dbraw/zinc/45/34/29/409453429.db2.gz CFMQUDPTFATJTJ-DTWKUNHWSA-N 1 2 282.300 -1.080 20 0 CAADLO C[C@H]1C[N@H+](CCS(=O)(=O)N(C)C)C[C@H](C(N)=O)O1 ZINC000351878905 409453614 /nfs/dbraw/zinc/45/36/14/409453614.db2.gz TUMHSQRHLQUCEB-DTWKUNHWSA-N 1 2 279.362 -1.548 20 0 CAADLO C[C@H]1C[N@@H+](CCS(=O)(=O)N(C)C)C[C@H](C(N)=O)O1 ZINC000351878905 409453620 /nfs/dbraw/zinc/45/36/20/409453620.db2.gz TUMHSQRHLQUCEB-DTWKUNHWSA-N 1 2 279.362 -1.548 20 0 CAADLO CN(C)C(=O)C[N@H+](C)CCS(=O)(=O)N(C)C ZINC000351865106 409453954 /nfs/dbraw/zinc/45/39/54/409453954.db2.gz ZNZBRUZEHFMJBK-UHFFFAOYSA-N 1 2 251.352 -1.102 20 0 CAADLO CN(C)C(=O)C[N@@H+](C)CCS(=O)(=O)N(C)C ZINC000351865106 409453959 /nfs/dbraw/zinc/45/39/59/409453959.db2.gz ZNZBRUZEHFMJBK-UHFFFAOYSA-N 1 2 251.352 -1.102 20 0 CAADLO O=C(CN1CC[NH2+]CC1=O)NCc1nnnn1C1CC1 ZINC000648096078 409456595 /nfs/dbraw/zinc/45/65/95/409456595.db2.gz PJNDCHRDCDBSHJ-UHFFFAOYSA-N 1 2 279.304 -1.944 20 0 CAADLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1Cc1nc(N)nc(N)n1 ZINC000352882476 409457859 /nfs/dbraw/zinc/45/78/59/409457859.db2.gz HIZMUMHRXRSKBH-VHSXEESVSA-N 1 2 293.375 -1.008 20 0 CAADLO C[C@H]1C[C@@H](N2CCOCC2)C[N@@H+]1Cc1nc(N)nc(N)n1 ZINC000352882476 409457864 /nfs/dbraw/zinc/45/78/64/409457864.db2.gz HIZMUMHRXRSKBH-VHSXEESVSA-N 1 2 293.375 -1.008 20 0 CAADLO C[C@H]1C[C@@H](N2CCOCC2)C[N@H+]1Cc1nc(N)nc(N)n1 ZINC000352882476 409457868 /nfs/dbraw/zinc/45/78/68/409457868.db2.gz HIZMUMHRXRSKBH-VHSXEESVSA-N 1 2 293.375 -1.008 20 0 CAADLO CNC(=O)C[NH+]1CCN(c2cncc3ncnn32)CC1 ZINC000355762499 409466122 /nfs/dbraw/zinc/46/61/22/409466122.db2.gz UDYXADLOIWRYFO-UHFFFAOYSA-N 1 2 275.316 -1.008 20 0 CAADLO CNC(=O)CC(=O)N1CCC[N@H+](CC(=O)NC(N)=O)CC1 ZINC001195625531 782011901 /nfs/dbraw/zinc/01/19/01/782011901.db2.gz MBGLECXSQGXJBQ-UHFFFAOYSA-N 1 2 299.331 -2.148 20 0 CAADLO CNC(=O)CC(=O)N1CCC[N@@H+](CC(=O)NC(N)=O)CC1 ZINC001195625531 782011916 /nfs/dbraw/zinc/01/19/16/782011916.db2.gz MBGLECXSQGXJBQ-UHFFFAOYSA-N 1 2 299.331 -2.148 20 0 CAADLO C[C@H](O)[C@@H](NC(=O)C1CC1)C(=O)NCC[NH+]1CCOCC1 ZINC000354412323 409462673 /nfs/dbraw/zinc/46/26/73/409462673.db2.gz KLPGOITXFOWMIV-CMPLNLGQSA-N 1 2 299.371 -1.290 20 0 CAADLO CC(C)NC(=O)C[N@H+](C)CC(=O)N(C)C[C@@H](O)CO ZINC000354156859 409462719 /nfs/dbraw/zinc/46/27/19/409462719.db2.gz BWGZVMGJEQPZNP-SNVBAGLBSA-N 1 2 275.349 -1.746 20 0 CAADLO CC(C)NC(=O)C[N@@H+](C)CC(=O)N(C)C[C@@H](O)CO ZINC000354156859 409462722 /nfs/dbraw/zinc/46/27/22/409462722.db2.gz BWGZVMGJEQPZNP-SNVBAGLBSA-N 1 2 275.349 -1.746 20 0 CAADLO CC(=O)N1C[C@H](O)C[C@H]1C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000355664754 409464791 /nfs/dbraw/zinc/46/47/91/409464791.db2.gz VCKMJYMVEOKACT-RTXFEEFZSA-N 1 2 299.371 -1.195 20 0 CAADLO CC(=O)N1C[C@H](O)C[C@H]1C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000355664754 409464797 /nfs/dbraw/zinc/46/47/97/409464797.db2.gz VCKMJYMVEOKACT-RTXFEEFZSA-N 1 2 299.371 -1.195 20 0 CAADLO COC(=O)[C@@H]1C[N@H+](CCCS(N)(=O)=O)CCO1 ZINC000355403103 409465200 /nfs/dbraw/zinc/46/52/00/409465200.db2.gz SRJMAWYAKKCRRF-QMMMGPOBSA-N 1 2 266.319 -1.461 20 0 CAADLO COC(=O)[C@@H]1C[N@@H+](CCCS(N)(=O)=O)CCO1 ZINC000355403103 409465203 /nfs/dbraw/zinc/46/52/03/409465203.db2.gz SRJMAWYAKKCRRF-QMMMGPOBSA-N 1 2 266.319 -1.461 20 0 CAADLO Cc1nn(CC(=O)NCCn2cc[nH+]c2)c(=O)n1C ZINC000653506621 409474063 /nfs/dbraw/zinc/47/40/63/409474063.db2.gz COOBYXCCKGTXRD-UHFFFAOYSA-N 1 2 264.289 -1.097 20 0 CAADLO Cc1nn(CC(=O)NC[C@@H]2C[NH+]3CCN2CC3)c(=O)n1C ZINC000653712021 409476606 /nfs/dbraw/zinc/47/66/06/409476606.db2.gz GFBZYJSZFKASOF-LLVKDONJSA-N 1 2 294.359 -1.994 20 0 CAADLO CN1CCN(c2cc(N3C[C@@H](O)[C@@H](O)C3)[nH+]cn2)CC1=O ZINC000433819520 409481207 /nfs/dbraw/zinc/48/12/07/409481207.db2.gz JONDDJSSHBIVFA-AOOOYVTPSA-N 1 2 293.327 -1.703 20 0 CAADLO CN1CCN(c2cc(N3C[C@@H](O)[C@@H](O)C3)nc[nH+]2)CC1=O ZINC000433819520 409481214 /nfs/dbraw/zinc/48/12/14/409481214.db2.gz JONDDJSSHBIVFA-AOOOYVTPSA-N 1 2 293.327 -1.703 20 0 CAADLO C[C@@H]1C(=O)N(C)CN1C[C@H](O)C[NH+]1CCOCC1 ZINC000646121115 409482947 /nfs/dbraw/zinc/48/29/47/409482947.db2.gz UMSGOAVLJRVKNM-GHMZBOCLSA-N 1 2 257.334 -1.201 20 0 CAADLO CC(C)(C(N)=O)C(=O)N[C@H](CO)C[NH+]1CCOCC1 ZINC000646076227 409483107 /nfs/dbraw/zinc/48/31/07/409483107.db2.gz WPHWMVMALOLNRW-VIFPVBQESA-N 1 2 273.333 -1.693 20 0 CAADLO O=C(CCN1CCCC1=O)N[C@H](CO)C[NH+]1CCOCC1 ZINC000646076841 409483244 /nfs/dbraw/zinc/48/32/44/409483244.db2.gz OELVDXYPDPQCND-LBPRGKRZSA-N 1 2 299.371 -1.192 20 0 CAADLO CC(C)(C(N)=O)C(=O)N[C@@H](CO)C[NH+]1CCOCC1 ZINC000646076226 409483693 /nfs/dbraw/zinc/48/36/93/409483693.db2.gz WPHWMVMALOLNRW-SECBINFHSA-N 1 2 273.333 -1.693 20 0 CAADLO NC(=O)[C@H](O)CNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000646025135 409483943 /nfs/dbraw/zinc/48/39/43/409483943.db2.gz JRPZIQBAOOMOKK-GHMZBOCLSA-N 1 2 285.344 -1.408 20 0 CAADLO NC(=O)[C@H](O)CNC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000646025135 409483947 /nfs/dbraw/zinc/48/39/47/409483947.db2.gz JRPZIQBAOOMOKK-GHMZBOCLSA-N 1 2 285.344 -1.408 20 0 CAADLO CN1C(=O)CC[C@@H]1C(=O)N[C@@H](CO)C[NH+]1CCOCC1 ZINC000646077328 409484069 /nfs/dbraw/zinc/48/40/69/409484069.db2.gz WLVINOLJNYUBIF-GHMZBOCLSA-N 1 2 285.344 -1.584 20 0 CAADLO CC(=O)NCC[N@@H+](C)CC(=O)N[C@H](C)C(=O)N(C)C ZINC000646045334 409484422 /nfs/dbraw/zinc/48/44/22/409484422.db2.gz LEDKGXNAYFQTNQ-SECBINFHSA-N 1 2 272.349 -1.353 20 0 CAADLO CC(=O)NCC[N@H+](C)CC(=O)N[C@H](C)C(=O)N(C)C ZINC000646045334 409484428 /nfs/dbraw/zinc/48/44/28/409484428.db2.gz LEDKGXNAYFQTNQ-SECBINFHSA-N 1 2 272.349 -1.353 20 0 CAADLO CN1C(=O)CC[C@H]1C(=O)N[C@@H](CO)C[NH+]1CCOCC1 ZINC000646077329 409484645 /nfs/dbraw/zinc/48/46/45/409484645.db2.gz WLVINOLJNYUBIF-MNOVXSKESA-N 1 2 285.344 -1.584 20 0 CAADLO C[C@H](CO[C@H]1CCOC1)NC(=O)CN1CC[NH2+]CC1=O ZINC000646191900 409485343 /nfs/dbraw/zinc/48/53/43/409485343.db2.gz CBIRTYPWFMROOD-MNOVXSKESA-N 1 2 285.344 -1.272 20 0 CAADLO O=C(CN1CC[NH2+]CC1=O)N1CCO[C@H]([C@H]2CCCO2)C1 ZINC000646216089 409485462 /nfs/dbraw/zinc/48/54/62/409485462.db2.gz GIUBLTYCEQYBDR-NEPJUHHUSA-N 1 2 297.355 -1.175 20 0 CAADLO O=C(CN1CCNCC1=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000659357533 409485902 /nfs/dbraw/zinc/48/59/02/409485902.db2.gz JQBZMIQLMOBUMB-LBPRGKRZSA-N 1 2 296.371 -1.649 20 0 CAADLO O=C(CN1CC[NH2+]CC1=O)N1CCN([C@H]2CCOC2)CC1 ZINC000659357533 409485906 /nfs/dbraw/zinc/48/59/06/409485906.db2.gz JQBZMIQLMOBUMB-LBPRGKRZSA-N 1 2 296.371 -1.649 20 0 CAADLO O=C(CN1CC[NH2+]CC1=O)N1CCN2C(=O)NC[C@H]2C1 ZINC000646176722 409485988 /nfs/dbraw/zinc/48/59/88/409485988.db2.gz NLTKYDQOADXNMC-VIFPVBQESA-N 1 2 281.316 -2.346 20 0 CAADLO O=C(CN1CCNCC1=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000659357532 409486006 /nfs/dbraw/zinc/48/60/06/409486006.db2.gz JQBZMIQLMOBUMB-GFCCVEGCSA-N 1 2 296.371 -1.649 20 0 CAADLO O=C(CN1CC[NH2+]CC1=O)N1CCN([C@@H]2CCOC2)CC1 ZINC000659357532 409486013 /nfs/dbraw/zinc/48/60/13/409486013.db2.gz JQBZMIQLMOBUMB-GFCCVEGCSA-N 1 2 296.371 -1.649 20 0 CAADLO CC(C)(CNC(=O)CN1CC[NH2+]CC1=O)S(C)(=O)=O ZINC000646156757 409486211 /nfs/dbraw/zinc/48/62/11/409486211.db2.gz UXSDVFQTJALORL-UHFFFAOYSA-N 1 2 291.373 -1.642 20 0 CAADLO C[NH+](C)C[C@@H](CO)NC(=O)CCS(C)(=O)=O ZINC000646209008 409486325 /nfs/dbraw/zinc/48/63/25/409486325.db2.gz RTWQNNDMONIKSA-QMMMGPOBSA-N 1 2 252.336 -1.540 20 0 CAADLO O=C(CN1CC[NH2+]CC1=O)N1CCN2C(=O)NC[C@@H]2C1 ZINC000646176721 409486467 /nfs/dbraw/zinc/48/64/67/409486467.db2.gz NLTKYDQOADXNMC-SECBINFHSA-N 1 2 281.316 -2.346 20 0 CAADLO CCN(CCO)C(=O)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000658412854 409487575 /nfs/dbraw/zinc/48/75/75/409487575.db2.gz DAFQVRVDJKVJIX-LBPRGKRZSA-N 1 2 299.371 -1.240 20 0 CAADLO CN(CCO)C(=O)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000658417845 409488008 /nfs/dbraw/zinc/48/80/08/409488008.db2.gz VDXYCGLGMRSVIA-NSHDSACASA-N 1 2 285.344 -1.630 20 0 CAADLO CCS(=O)(=O)N[C@@H](C)C(=O)NCC[NH+]1CCOCC1 ZINC000646584026 409489665 /nfs/dbraw/zinc/48/96/65/409489665.db2.gz QVXPMYPHLPJWQV-JTQLQIEISA-N 1 2 293.389 -1.237 20 0 CAADLO CCN1CC[C@H]([N@@H+]2CCN3C(=O)C(=O)NC[C@@H]3C2)C1=O ZINC000660009076 409490597 /nfs/dbraw/zinc/49/05/97/409490597.db2.gz LQNRIYBIGFXKFH-ZJUUUORDSA-N 1 2 280.328 -1.750 20 0 CAADLO CCN1CC[C@H]([N@H+]2CCN3C(=O)C(=O)NC[C@@H]3C2)C1=O ZINC000660009076 409490601 /nfs/dbraw/zinc/49/06/01/409490601.db2.gz LQNRIYBIGFXKFH-ZJUUUORDSA-N 1 2 280.328 -1.750 20 0 CAADLO CN(C)S(=O)(=O)NCC(=O)NCCCn1cc[nH+]c1 ZINC000646577530 409490970 /nfs/dbraw/zinc/49/09/70/409490970.db2.gz PJTLUSMPNGQVGO-UHFFFAOYSA-N 1 2 289.361 -1.215 20 0 CAADLO CN(CCCO)C(=O)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000658566443 409492152 /nfs/dbraw/zinc/49/21/52/409492152.db2.gz KIGACSUDMJPGNL-GFCCVEGCSA-N 1 2 299.371 -1.240 20 0 CAADLO CNS(=O)(=O)[C@H]1CC[N@H+](CCc2c[nH]nn2)C1 ZINC000660116873 409501251 /nfs/dbraw/zinc/50/12/51/409501251.db2.gz DSALNBRKQAIKRG-VIFPVBQESA-N 1 2 259.335 -1.029 20 0 CAADLO CNS(=O)(=O)[C@H]1CC[N@@H+](CCc2c[nH]nn2)C1 ZINC000660116873 409501257 /nfs/dbraw/zinc/50/12/57/409501257.db2.gz DSALNBRKQAIKRG-VIFPVBQESA-N 1 2 259.335 -1.029 20 0 CAADLO C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)CS(C)(=O)=O ZINC000649077235 409503271 /nfs/dbraw/zinc/50/32/71/409503271.db2.gz OPOCRGVDXLJIIU-VIFPVBQESA-N 1 2 291.373 -1.391 20 0 CAADLO CCN1CC[C@H]([N@@H+]2CC[C@H](S(N)(=O)=O)C2)C1=O ZINC000660127396 409503847 /nfs/dbraw/zinc/50/38/47/409503847.db2.gz DDGRYQPWSJDZSB-IUCAKERBSA-N 1 2 261.347 -1.030 20 0 CAADLO CCN1CC[C@H]([N@H+]2CC[C@H](S(N)(=O)=O)C2)C1=O ZINC000660127396 409503851 /nfs/dbraw/zinc/50/38/51/409503851.db2.gz DDGRYQPWSJDZSB-IUCAKERBSA-N 1 2 261.347 -1.030 20 0 CAADLO CN1CC[N@H+](C)C[C@H]1CNS(=O)(=O)c1ncc[nH]1 ZINC000386839666 409509265 /nfs/dbraw/zinc/50/92/65/409509265.db2.gz RIDHEXKZTTWOBZ-SECBINFHSA-N 1 2 273.362 -1.066 20 0 CAADLO CN1CC[N@@H+](C)C[C@H]1CNS(=O)(=O)c1ncc[nH]1 ZINC000386839666 409509268 /nfs/dbraw/zinc/50/92/68/409509268.db2.gz RIDHEXKZTTWOBZ-SECBINFHSA-N 1 2 273.362 -1.066 20 0 CAADLO CN1CC[N@H+](C)C[C@@H]1CNS(=O)(=O)c1ncc[nH]1 ZINC000386839670 409509434 /nfs/dbraw/zinc/50/94/34/409509434.db2.gz RIDHEXKZTTWOBZ-VIFPVBQESA-N 1 2 273.362 -1.066 20 0 CAADLO CN1CC[N@@H+](C)C[C@@H]1CNS(=O)(=O)c1ncc[nH]1 ZINC000386839670 409509438 /nfs/dbraw/zinc/50/94/38/409509438.db2.gz RIDHEXKZTTWOBZ-VIFPVBQESA-N 1 2 273.362 -1.066 20 0 CAADLO C[C@@H](CC(=O)N1CC[NH+](CC(=O)N(C)C)CC1)NC(N)=O ZINC000654396832 409511231 /nfs/dbraw/zinc/51/12/31/409511231.db2.gz DWAFUNQWVSYZEI-JTQLQIEISA-N 1 2 299.375 -1.334 20 0 CAADLO CO[C@](C)(CO)CNC(=O)NC[C@H]1CN(C)CC[N@@H+]1C ZINC000654439866 409511254 /nfs/dbraw/zinc/51/12/54/409511254.db2.gz YGHFRMMJMVFYIM-AAEUAGOBSA-N 1 2 288.392 -1.071 20 0 CAADLO CO[C@](C)(CO)CNC(=O)NC[C@H]1CN(C)CC[N@H+]1C ZINC000654439866 409511257 /nfs/dbraw/zinc/51/12/57/409511257.db2.gz YGHFRMMJMVFYIM-AAEUAGOBSA-N 1 2 288.392 -1.071 20 0 CAADLO CO[C@@](C)(CO)CNC(=O)NC[C@H]1CN(C)CC[N@@H+]1C ZINC000654439868 409511536 /nfs/dbraw/zinc/51/15/36/409511536.db2.gz YGHFRMMJMVFYIM-WCQYABFASA-N 1 2 288.392 -1.071 20 0 CAADLO CO[C@@](C)(CO)CNC(=O)NC[C@H]1CN(C)CC[N@H+]1C ZINC000654439868 409511537 /nfs/dbraw/zinc/51/15/37/409511537.db2.gz YGHFRMMJMVFYIM-WCQYABFASA-N 1 2 288.392 -1.071 20 0 CAADLO C[C@H](CC(=O)NCC[NH+]1CCOCC1)NC(N)=O ZINC000654373511 409511628 /nfs/dbraw/zinc/51/16/28/409511628.db2.gz JZMNVWYZYRLROM-SECBINFHSA-N 1 2 258.322 -1.118 20 0 CAADLO C[C@@H](CC(=O)NCC[NH+]1CCOCC1)NC(N)=O ZINC000654373512 409511810 /nfs/dbraw/zinc/51/18/10/409511810.db2.gz JZMNVWYZYRLROM-VIFPVBQESA-N 1 2 258.322 -1.118 20 0 CAADLO Cc1nn(CC(=O)NCC[N@H+]2CCOC[C@H]2C)c(=O)n1C ZINC000654723472 409512540 /nfs/dbraw/zinc/51/25/40/409512540.db2.gz NMGMFYPWAJHHLD-SNVBAGLBSA-N 1 2 297.359 -1.273 20 0 CAADLO Cc1nn(CC(=O)NCC[N@@H+]2CCOC[C@H]2C)c(=O)n1C ZINC000654723472 409512543 /nfs/dbraw/zinc/51/25/43/409512543.db2.gz NMGMFYPWAJHHLD-SNVBAGLBSA-N 1 2 297.359 -1.273 20 0 CAADLO Cc1nn(CC(=O)NCC[N@H+]2CCOC[C@@H]2C)c(=O)n1C ZINC000654723471 409512624 /nfs/dbraw/zinc/51/26/24/409512624.db2.gz NMGMFYPWAJHHLD-JTQLQIEISA-N 1 2 297.359 -1.273 20 0 CAADLO Cc1nn(CC(=O)NCC[N@@H+]2CCOC[C@@H]2C)c(=O)n1C ZINC000654723471 409512628 /nfs/dbraw/zinc/51/26/28/409512628.db2.gz NMGMFYPWAJHHLD-JTQLQIEISA-N 1 2 297.359 -1.273 20 0 CAADLO Cn1c[nH+]cc1CC(=O)N[C@@H]1CC(=O)N(C)C1=O ZINC000655061370 409514023 /nfs/dbraw/zinc/51/40/23/409514023.db2.gz FRBAFVITWPJCIC-MRVPVSSYSA-N 1 2 250.258 -1.164 20 0 CAADLO C[C@H](NC(N)=O)C(=O)N1CCC[N@@H+]([C@@H]2CCNC2=O)CC1 ZINC001195625900 782012106 /nfs/dbraw/zinc/01/21/06/782012106.db2.gz SQJSIFKNICGKEF-VHSXEESVSA-N 1 2 297.359 -1.534 20 0 CAADLO C[C@H](NC(N)=O)C(=O)N1CCC[N@H+]([C@@H]2CCNC2=O)CC1 ZINC001195625900 782012115 /nfs/dbraw/zinc/01/21/15/782012115.db2.gz SQJSIFKNICGKEF-VHSXEESVSA-N 1 2 297.359 -1.534 20 0 CAADLO C[C@H](NC(N)=O)C(=O)N1CCC[N@H+](CC(N)=O)CC1 ZINC001195626252 782012131 /nfs/dbraw/zinc/01/21/31/782012131.db2.gz XYSFLVGTSHOLJN-QMMMGPOBSA-N 1 2 271.321 -1.937 20 0 CAADLO C[C@H](NC(N)=O)C(=O)N1CCC[N@@H+](CC(N)=O)CC1 ZINC001195626252 782012140 /nfs/dbraw/zinc/01/21/40/782012140.db2.gz XYSFLVGTSHOLJN-QMMMGPOBSA-N 1 2 271.321 -1.937 20 0 CAADLO CCN1OC[C@H]([NH+]2CCC(O)(C(N)=O)CC2)C1=O ZINC000660485093 409529074 /nfs/dbraw/zinc/52/90/74/409529074.db2.gz AZMAOFQRTVIBKG-QMMMGPOBSA-N 1 2 257.290 -1.539 20 0 CAADLO COc1c(C)[nH+]cnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC000656140361 409531702 /nfs/dbraw/zinc/53/17/02/409531702.db2.gz WYBAUPHPYXXAQX-SECBINFHSA-N 1 2 291.311 -1.059 20 0 CAADLO Cn1ncc2c1nc(N)[nH+]c2N1C[C@H](O)C[C@H](O)C1 ZINC000656135984 409531881 /nfs/dbraw/zinc/53/18/81/409531881.db2.gz WDBXAXKMXJRWIB-KNVOCYPGSA-N 1 2 264.289 -1.123 20 0 CAADLO CCCC[N@H+](CC(N)=O)CC(=O)N1CCNC(=O)C1 ZINC000061349282 409532087 /nfs/dbraw/zinc/53/20/87/409532087.db2.gz QYASSXCNFWEQHV-UHFFFAOYSA-N 1 2 270.333 -1.468 20 0 CAADLO CCCC[N@@H+](CC(N)=O)CC(=O)N1CCNC(=O)C1 ZINC000061349282 409532093 /nfs/dbraw/zinc/53/20/93/409532093.db2.gz QYASSXCNFWEQHV-UHFFFAOYSA-N 1 2 270.333 -1.468 20 0 CAADLO C[C@@H]1C[N@H+](CCO)CCN1S(=O)(=O)c1cnnn1C ZINC000657008733 409535980 /nfs/dbraw/zinc/53/59/80/409535980.db2.gz BRZDKBFKQYSFIN-SECBINFHSA-N 1 2 289.361 -1.498 20 0 CAADLO C[C@@H]1C[N@@H+](CCO)CCN1S(=O)(=O)c1cnnn1C ZINC000657008733 409535985 /nfs/dbraw/zinc/53/59/85/409535985.db2.gz BRZDKBFKQYSFIN-SECBINFHSA-N 1 2 289.361 -1.498 20 0 CAADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1CC[C@H](C(N)=O)O1 ZINC000624139899 409543133 /nfs/dbraw/zinc/54/31/33/409543133.db2.gz WDDDXDJOUOBFIA-AXFHLTTASA-N 1 2 285.344 -1.144 20 0 CAADLO CS(=O)(=O)C1(CNc2nc(N)nc(N)[nH+]2)CCC1 ZINC000624176992 409546467 /nfs/dbraw/zinc/54/64/67/409546467.db2.gz VTUPDZMAHFZZHY-UHFFFAOYSA-N 1 2 272.334 -1.502 20 0 CAADLO C[C@@H](CO)N(C)C(=O)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000658579486 409549980 /nfs/dbraw/zinc/54/99/80/409549980.db2.gz MFAVEYWBEZIWBL-NWDGAFQWSA-N 1 2 299.371 -1.241 20 0 CAADLO C[C@H](O)CN(C)C(=O)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000658515180 409550095 /nfs/dbraw/zinc/55/00/95/409550095.db2.gz RVQUQVVTAXXUSO-NWDGAFQWSA-N 1 2 299.371 -1.241 20 0 CAADLO NC(=O)c1csc(CNC(=O)CN2CC[NH2+]CC2=O)n1 ZINC000659373985 409553054 /nfs/dbraw/zinc/55/30/54/409553054.db2.gz ZVQRVPDEJCSVQX-UHFFFAOYSA-N 1 2 297.340 -1.710 20 0 CAADLO C[C@]12COC[C@H]1CN(C(=O)CN1CC[NH2+]CC1=O)C2 ZINC000659368032 409553578 /nfs/dbraw/zinc/55/35/78/409553578.db2.gz KHYBNEMZKBQHFK-MFKMUULPSA-N 1 2 267.329 -1.087 20 0 CAADLO O=C(CN1CC[NH2+]CC1=O)NCCO[C@@H]1CC1(F)F ZINC000659345640 409553621 /nfs/dbraw/zinc/55/36/21/409553621.db2.gz MMBSPESUECRVTQ-MRVPVSSYSA-N 1 2 277.271 -1.041 20 0 CAADLO C[C@@]12COC[C@@H]1CN(C(=O)CN1CC[NH2+]CC1=O)C2 ZINC000659368030 409554396 /nfs/dbraw/zinc/55/43/96/409554396.db2.gz KHYBNEMZKBQHFK-GXFFZTMASA-N 1 2 267.329 -1.087 20 0 CAADLO Cn1ncnc1C(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000664263969 409627931 /nfs/dbraw/zinc/62/79/31/409627931.db2.gz LRYXASDFKCWDDU-VIFPVBQESA-N 1 2 250.306 -1.455 20 0 CAADLO CN(C)S(=O)(=O)N1CC[NH+](CCc2cn[nH]n2)CC1 ZINC000659835353 409572828 /nfs/dbraw/zinc/57/28/28/409572828.db2.gz HVTADEVTZFEAKQ-UHFFFAOYSA-N 1 2 288.377 -1.229 20 0 CAADLO C[C@H]1CO[C@H](CO)C[N@@H+]1CCN1C(=O)CN(C)C1=O ZINC000660009418 409573099 /nfs/dbraw/zinc/57/30/99/409573099.db2.gz RWCXEYBZLZNOTD-UWVGGRQHSA-N 1 2 271.317 -1.038 20 0 CAADLO C[C@H]1CO[C@H](CO)C[N@H+]1CCN1C(=O)CN(C)C1=O ZINC000660009418 409573108 /nfs/dbraw/zinc/57/31/08/409573108.db2.gz RWCXEYBZLZNOTD-UWVGGRQHSA-N 1 2 271.317 -1.038 20 0 CAADLO CO[C@@H]1CS(=O)(=O)C[C@@H]1[N@H+](C)CC(C)(CO)CO ZINC000660017315 409575281 /nfs/dbraw/zinc/57/52/81/409575281.db2.gz DTJNVGMVSPUKNG-VHSXEESVSA-N 1 2 281.374 -1.279 20 0 CAADLO CO[C@@H]1CS(=O)(=O)C[C@@H]1[N@@H+](C)CC(C)(CO)CO ZINC000660017315 409575288 /nfs/dbraw/zinc/57/52/88/409575288.db2.gz DTJNVGMVSPUKNG-VHSXEESVSA-N 1 2 281.374 -1.279 20 0 CAADLO COCCN1CC[N@H+](C[C@H]2CNC(=O)C2)CC1=O ZINC000660164350 409575403 /nfs/dbraw/zinc/57/54/03/409575403.db2.gz FPCZXRVALZFJBF-SNVBAGLBSA-N 1 2 255.318 -1.087 20 0 CAADLO COCCN1CC[N@@H+](C[C@H]2CNC(=O)C2)CC1=O ZINC000660164350 409575406 /nfs/dbraw/zinc/57/54/06/409575406.db2.gz FPCZXRVALZFJBF-SNVBAGLBSA-N 1 2 255.318 -1.087 20 0 CAADLO CCN1OC[C@H]([N@@H+]2CCC[C@@]3(C2)NC(=O)NC3=O)C1=O ZINC000660441197 409575965 /nfs/dbraw/zinc/57/59/65/409575965.db2.gz SMKJXDQYEAIHRF-UFBFGSQYSA-N 1 2 282.300 -1.177 20 0 CAADLO CCN1OC[C@H]([N@H+]2CCC[C@@]3(C2)NC(=O)NC3=O)C1=O ZINC000660441197 409575973 /nfs/dbraw/zinc/57/59/73/409575973.db2.gz SMKJXDQYEAIHRF-UFBFGSQYSA-N 1 2 282.300 -1.177 20 0 CAADLO CNS(=O)(=O)N1CC[NH+](CCc2cn[nH]n2)CC1 ZINC000660553431 409576057 /nfs/dbraw/zinc/57/60/57/409576057.db2.gz UYPIUVWUCYBIPD-UHFFFAOYSA-N 1 2 274.350 -1.571 20 0 CAADLO C[C@H]1C[N@H+](CCN2C(=O)CN(C)C2=O)C[C@@H](CO)O1 ZINC000660387633 409576325 /nfs/dbraw/zinc/57/63/25/409576325.db2.gz CPBWYYOCENCWHN-UWVGGRQHSA-N 1 2 271.317 -1.038 20 0 CAADLO C[C@H]1C[N@@H+](CCN2C(=O)CN(C)C2=O)C[C@@H](CO)O1 ZINC000660387633 409576331 /nfs/dbraw/zinc/57/63/31/409576331.db2.gz CPBWYYOCENCWHN-UWVGGRQHSA-N 1 2 271.317 -1.038 20 0 CAADLO O=C(CN1CCn2c[nH+]cc2C1)N1CCNC(=O)C1 ZINC000660579204 409576967 /nfs/dbraw/zinc/57/69/67/409576967.db2.gz UGTGXKAHFOUMHT-UHFFFAOYSA-N 1 2 263.301 -1.343 20 0 CAADLO CCN1OC[C@@H]([NH+]2CCC3(CC2)NC(=O)NC3=O)C1=O ZINC000660133397 409577279 /nfs/dbraw/zinc/57/72/79/409577279.db2.gz BJHANWUUSJSUJG-MRVPVSSYSA-N 1 2 282.300 -1.177 20 0 CAADLO CCN1OC[C@@H]([NH+]2CCC(O)(C(N)=O)CC2)C1=O ZINC000660485081 409577408 /nfs/dbraw/zinc/57/74/08/409577408.db2.gz AZMAOFQRTVIBKG-MRVPVSSYSA-N 1 2 257.290 -1.539 20 0 CAADLO C[C@@H]1C[N@H+](CCN2C(=O)CN(C)C2=O)C[C@H](CO)O1 ZINC000660387631 409577865 /nfs/dbraw/zinc/57/78/65/409577865.db2.gz CPBWYYOCENCWHN-NXEZZACHSA-N 1 2 271.317 -1.038 20 0 CAADLO C[C@@H]1C[N@@H+](CCN2C(=O)CN(C)C2=O)C[C@H](CO)O1 ZINC000660387631 409577878 /nfs/dbraw/zinc/57/78/78/409577878.db2.gz CPBWYYOCENCWHN-NXEZZACHSA-N 1 2 271.317 -1.038 20 0 CAADLO CN1CC(=O)N(CC[N@@H+]2CCSC[C@H]2C(N)=O)C1=O ZINC000660153934 409578323 /nfs/dbraw/zinc/57/83/23/409578323.db2.gz FLDUTGAOLGZHDH-QMMMGPOBSA-N 1 2 286.357 -1.217 20 0 CAADLO CN1CC(=O)N(CC[N@H+]2CCSC[C@H]2C(N)=O)C1=O ZINC000660153934 409578329 /nfs/dbraw/zinc/57/83/29/409578329.db2.gz FLDUTGAOLGZHDH-QMMMGPOBSA-N 1 2 286.357 -1.217 20 0 CAADLO C[C@H](O)C(=O)N1CC[NH+](CCN2C(=O)CN(C)C2=O)CC1 ZINC000660158405 409578404 /nfs/dbraw/zinc/57/84/04/409578404.db2.gz YATNHVAURXUACB-JTQLQIEISA-N 1 2 298.343 -1.595 20 0 CAADLO CNS(=O)(=O)N1CC[NH+](CCOCCO)CC1 ZINC000660549873 409578562 /nfs/dbraw/zinc/57/85/62/409578562.db2.gz CZXVKMXMRDCEDW-UHFFFAOYSA-N 1 2 267.351 -1.923 20 0 CAADLO CN(Cc1n[nH]c(=O)o1)C[C@@H](O)C[NH+]1CCOCC1 ZINC000660850292 409581188 /nfs/dbraw/zinc/58/11/88/409581188.db2.gz RAXMPFSKTMXMNZ-SECBINFHSA-N 1 2 272.305 -1.100 20 0 CAADLO CN(CC(=O)N1CC[NH+](C)CC1)Cc1n[nH]c(=O)o1 ZINC000660849509 409581989 /nfs/dbraw/zinc/58/19/89/409581989.db2.gz DFDOPTKUUJMSBB-UHFFFAOYSA-N 1 2 269.305 -1.019 20 0 CAADLO CO[C@@H]1C[N@@H+]([C@@H]2CS(=O)(=O)C[C@@H]2OC)C[C@H]1O ZINC000660735956 409582337 /nfs/dbraw/zinc/58/23/37/409582337.db2.gz NFWJEZPHHOPKES-KYXWUPHJSA-N 1 2 265.331 -1.510 20 0 CAADLO CO[C@@H]1C[N@H+]([C@@H]2CS(=O)(=O)C[C@@H]2OC)C[C@H]1O ZINC000660735956 409582346 /nfs/dbraw/zinc/58/23/46/409582346.db2.gz NFWJEZPHHOPKES-KYXWUPHJSA-N 1 2 265.331 -1.510 20 0 CAADLO O=C(N[C@H]1CCNC1=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000661382618 409583278 /nfs/dbraw/zinc/58/32/78/409583278.db2.gz BKKZDGHPFINNFR-MNOVXSKESA-N 1 2 282.344 -1.009 20 0 CAADLO C[N@@H+](CC(=O)N1CCNC(=O)C1)C[C@H]1COCCO1 ZINC000661606739 409584620 /nfs/dbraw/zinc/58/46/20/409584620.db2.gz WOKJNMHWWSRMMN-JTQLQIEISA-N 1 2 271.317 -1.708 20 0 CAADLO C[N@H+](CC(=O)N1CCNC(=O)C1)C[C@H]1COCCO1 ZINC000661606739 409584624 /nfs/dbraw/zinc/58/46/24/409584624.db2.gz WOKJNMHWWSRMMN-JTQLQIEISA-N 1 2 271.317 -1.708 20 0 CAADLO C[NH+]1CCN(C(=O)CC[N@@H+]2CCOC[C@H]2C(=O)[O-])CC1 ZINC000662208354 409585463 /nfs/dbraw/zinc/58/54/63/409585463.db2.gz PHQQKFYPMKODLM-NSHDSACASA-N 1 2 285.344 -1.064 20 0 CAADLO C[NH+]1CCN(C(=O)CC[N@H+]2CCOC[C@H]2C(=O)[O-])CC1 ZINC000662208354 409585464 /nfs/dbraw/zinc/58/54/64/409585464.db2.gz PHQQKFYPMKODLM-NSHDSACASA-N 1 2 285.344 -1.064 20 0 CAADLO C[C@@H](NC(=O)C[N@H+]1CCC(=O)N(C)CC1)C(=O)N(C)C ZINC000661810334 409585807 /nfs/dbraw/zinc/58/58/07/409585807.db2.gz QWNNDGNTJDVBBY-SNVBAGLBSA-N 1 2 284.360 -1.257 20 0 CAADLO C[C@@H](NC(=O)C[N@@H+]1CCC(=O)N(C)CC1)C(=O)N(C)C ZINC000661810334 409585811 /nfs/dbraw/zinc/58/58/11/409585811.db2.gz QWNNDGNTJDVBBY-SNVBAGLBSA-N 1 2 284.360 -1.257 20 0 CAADLO CCNC(=O)C[N@@H+]1C[C@@H]2[C@@H](OC)CS(=O)(=O)[C@@H]2C1 ZINC000661879505 409586321 /nfs/dbraw/zinc/58/63/21/409586321.db2.gz CPKJBBCULFPZGY-KXUCPTDWSA-N 1 2 276.358 -1.134 20 0 CAADLO CCNC(=O)C[N@H+]1C[C@@H]2[C@@H](OC)CS(=O)(=O)[C@@H]2C1 ZINC000661879505 409586330 /nfs/dbraw/zinc/58/63/30/409586330.db2.gz CPKJBBCULFPZGY-KXUCPTDWSA-N 1 2 276.358 -1.134 20 0 CAADLO CO[C@@H]1CS(=O)(=O)[C@H]2C[N@@H+]([C@@H](C)C(N)=O)C[C@H]21 ZINC000661881519 409586936 /nfs/dbraw/zinc/58/69/36/409586936.db2.gz RWPFECDHUSOXNE-MAUMQABQSA-N 1 2 262.331 -1.396 20 0 CAADLO CO[C@@H]1CS(=O)(=O)[C@H]2C[N@H+]([C@@H](C)C(N)=O)C[C@H]21 ZINC000661881519 409586944 /nfs/dbraw/zinc/58/69/44/409586944.db2.gz RWPFECDHUSOXNE-MAUMQABQSA-N 1 2 262.331 -1.396 20 0 CAADLO CO[C@@H]1CS(=O)(=O)C[C@@H]1[N@H+]1CCC(=O)N(C)CC1 ZINC000661805276 409587155 /nfs/dbraw/zinc/58/71/55/409587155.db2.gz ZSANYFJZNGJLBJ-VHSXEESVSA-N 1 2 276.358 -1.038 20 0 CAADLO CO[C@@H]1CS(=O)(=O)C[C@@H]1[N@@H+]1CCC(=O)N(C)CC1 ZINC000661805276 409587160 /nfs/dbraw/zinc/58/71/60/409587160.db2.gz ZSANYFJZNGJLBJ-VHSXEESVSA-N 1 2 276.358 -1.038 20 0 CAADLO C[C@H](NC(=O)C[N@H+]1CCC(=O)N(C)CC1)C(=O)N(C)C ZINC000661810324 409587203 /nfs/dbraw/zinc/58/72/03/409587203.db2.gz QWNNDGNTJDVBBY-JTQLQIEISA-N 1 2 284.360 -1.257 20 0 CAADLO C[C@H](NC(=O)C[N@@H+]1CCC(=O)N(C)CC1)C(=O)N(C)C ZINC000661810324 409587208 /nfs/dbraw/zinc/58/72/08/409587208.db2.gz QWNNDGNTJDVBBY-JTQLQIEISA-N 1 2 284.360 -1.257 20 0 CAADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H](C)NC(N)=O)CC1 ZINC001195625672 782012575 /nfs/dbraw/zinc/01/25/75/782012575.db2.gz PUWHSHMYRXGAIG-JTQLQIEISA-N 1 2 299.375 -1.286 20 0 CAADLO CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H](C)NC(N)=O)CC1 ZINC001195625672 782012584 /nfs/dbraw/zinc/01/25/84/782012584.db2.gz PUWHSHMYRXGAIG-JTQLQIEISA-N 1 2 299.375 -1.286 20 0 CAADLO C[C@@H]1C[N@H+](CCNC(=O)CN2CCNCC2=O)[C@H](C)CO1 ZINC000662632053 409601676 /nfs/dbraw/zinc/60/16/76/409601676.db2.gz WZCBQJYOVYHQJM-VXGBXAGGSA-N 1 2 298.387 -1.356 20 0 CAADLO C[C@@H]1C[N@@H+](CCNC(=O)CN2CCNCC2=O)[C@H](C)CO1 ZINC000662632053 409601681 /nfs/dbraw/zinc/60/16/81/409601681.db2.gz WZCBQJYOVYHQJM-VXGBXAGGSA-N 1 2 298.387 -1.356 20 0 CAADLO C[C@@H]1CN(CCNC(=O)CN2CC[NH2+]CC2=O)[C@H](C)CO1 ZINC000662632053 409601686 /nfs/dbraw/zinc/60/16/86/409601686.db2.gz WZCBQJYOVYHQJM-VXGBXAGGSA-N 1 2 298.387 -1.356 20 0 CAADLO O=C(CN1CC[NH2+]CC1=O)N[C@H](CO)C1CCC1 ZINC000662850719 409611431 /nfs/dbraw/zinc/61/14/31/409611431.db2.gz VCDRAAHXWGZDHF-SNVBAGLBSA-N 1 2 255.318 -1.305 20 0 CAADLO CC[C@@H]1C(=O)N(CC)CCN1C(=O)CN1CC[NH2+]CC1=O ZINC000662870823 409611442 /nfs/dbraw/zinc/61/14/42/409611442.db2.gz BSQGERZDMBNQGT-LLVKDONJSA-N 1 2 296.371 -1.113 20 0 CAADLO O=C(CN1CC[NH2+]CC1=O)N[C@@H](CO)C1CCC1 ZINC000662850718 409612390 /nfs/dbraw/zinc/61/23/90/409612390.db2.gz VCDRAAHXWGZDHF-JTQLQIEISA-N 1 2 255.318 -1.305 20 0 CAADLO CC(=O)N[C@H]1CCN(C(=O)CN2CC[NH2+]CC2=O)C1 ZINC000662853101 409612481 /nfs/dbraw/zinc/61/24/81/409612481.db2.gz LFHPKZWXCBBBLI-JTQLQIEISA-N 1 2 268.317 -1.845 20 0 CAADLO COCCn1ccc(NC(=O)[C@@H]2COCC[NH2+]2)n1 ZINC000430235952 409695686 /nfs/dbraw/zinc/69/56/86/409695686.db2.gz GADJQMUGFYKSLF-VIFPVBQESA-N 1 2 254.290 -0.544 20 0 CAADLO COCCn1ccc(NC(=O)[C@H]2COCC[NH2+]2)n1 ZINC000430235950 409696008 /nfs/dbraw/zinc/69/60/08/409696008.db2.gz GADJQMUGFYKSLF-SECBINFHSA-N 1 2 254.290 -0.544 20 0 CAADLO COc1c(N)[nH+]cnc1NC[C@H](O)Cn1ccnn1 ZINC000576052068 409703793 /nfs/dbraw/zinc/70/37/93/409703793.db2.gz ADMYPRBMHYXGOV-ZETCQYMHSA-N 1 2 265.277 -0.868 20 0 CAADLO COc1c(N)nc[nH+]c1NC[C@H](O)Cn1ccnn1 ZINC000576052068 409703801 /nfs/dbraw/zinc/70/38/01/409703801.db2.gz ADMYPRBMHYXGOV-ZETCQYMHSA-N 1 2 265.277 -0.868 20 0 CAADLO COc1c(N)[nH+]cnc1NC[C@H]1CS(=O)(=O)CCO1 ZINC000568251115 409703952 /nfs/dbraw/zinc/70/39/52/409703952.db2.gz HYDSEDDFKPTOQZ-ZETCQYMHSA-N 1 2 288.329 -0.707 20 0 CAADLO COc1c(N)nc[nH+]c1NC[C@H]1CS(=O)(=O)CCO1 ZINC000568251115 409703959 /nfs/dbraw/zinc/70/39/59/409703959.db2.gz HYDSEDDFKPTOQZ-ZETCQYMHSA-N 1 2 288.329 -0.707 20 0 CAADLO COc1c(N)[nH+]cnc1NC[C@H](C)S(N)(=O)=O ZINC000398463107 409703994 /nfs/dbraw/zinc/70/39/94/409703994.db2.gz JQFUNVOFFSZQQK-YFKPBYRVSA-N 1 2 261.307 -0.844 20 0 CAADLO COc1c(N)nc[nH+]c1NC[C@H](C)S(N)(=O)=O ZINC000398463107 409703999 /nfs/dbraw/zinc/70/39/99/409703999.db2.gz JQFUNVOFFSZQQK-YFKPBYRVSA-N 1 2 261.307 -0.844 20 0 CAADLO c1cc(NC[C@@H]2C[NH+]3CCN2CC3)nn2nnnc12 ZINC000394688278 409705458 /nfs/dbraw/zinc/70/54/58/409705458.db2.gz IKLMMXVEUSMCEG-SECBINFHSA-N 1 2 260.305 -1.069 20 0 CAADLO COc1c(N)[nH+]cnc1NC[C@@H](O)Cn1ccnn1 ZINC000576052067 409705691 /nfs/dbraw/zinc/70/56/91/409705691.db2.gz ADMYPRBMHYXGOV-SSDOTTSWSA-N 1 2 265.277 -0.868 20 0 CAADLO COc1c(N)nc[nH+]c1NC[C@@H](O)Cn1ccnn1 ZINC000576052067 409705705 /nfs/dbraw/zinc/70/57/05/409705705.db2.gz ADMYPRBMHYXGOV-SSDOTTSWSA-N 1 2 265.277 -0.868 20 0 CAADLO CCS(=O)(=O)NCCNc1nc[nH+]c(N)c1OC ZINC000390250156 409705899 /nfs/dbraw/zinc/70/58/99/409705899.db2.gz DZAZTARMQVBRSZ-UHFFFAOYSA-N 1 2 275.334 -0.581 20 0 CAADLO CCS(=O)(=O)NCCNc1[nH+]cnc(N)c1OC ZINC000390250156 409705910 /nfs/dbraw/zinc/70/59/10/409705910.db2.gz DZAZTARMQVBRSZ-UHFFFAOYSA-N 1 2 275.334 -0.581 20 0 CAADLO COc1cc(NC(=O)N2CC[NH+](CCO)CC2)nn1C ZINC000548494524 409707544 /nfs/dbraw/zinc/70/75/44/409707544.db2.gz XVEJTFQYYNTPNW-UHFFFAOYSA-N 1 2 283.332 -0.430 20 0 CAADLO COc1c(N)[nH+]cnc1NC[C@]1(O)CCS(=O)(=O)C1 ZINC000577963805 409707782 /nfs/dbraw/zinc/70/77/82/409707782.db2.gz OPOQDYGFOZVITL-SNVBAGLBSA-N 1 2 288.329 -0.971 20 0 CAADLO COc1c(N)nc[nH+]c1NC[C@]1(O)CCS(=O)(=O)C1 ZINC000577963805 409707789 /nfs/dbraw/zinc/70/77/89/409707789.db2.gz OPOQDYGFOZVITL-SNVBAGLBSA-N 1 2 288.329 -0.971 20 0 CAADLO COc1c(N)[nH+]cnc1NC[C@@H]1CS(=O)(=O)CCO1 ZINC000568251114 409707835 /nfs/dbraw/zinc/70/78/35/409707835.db2.gz HYDSEDDFKPTOQZ-SSDOTTSWSA-N 1 2 288.329 -0.707 20 0 CAADLO COc1c(N)nc[nH+]c1NC[C@@H]1CS(=O)(=O)CCO1 ZINC000568251114 409707841 /nfs/dbraw/zinc/70/78/41/409707841.db2.gz HYDSEDDFKPTOQZ-SSDOTTSWSA-N 1 2 288.329 -0.707 20 0 CAADLO Cc1nc(N(C)C)nc(NCCS(=O)(=O)N(C)C)[nH+]1 ZINC000357778117 409709755 /nfs/dbraw/zinc/70/97/55/409709755.db2.gz BOISALRMLQCHQI-UHFFFAOYSA-N 1 2 288.377 -0.451 20 0 CAADLO Cc1nc(NCCS(=O)(=O)N(C)C)nc(N(C)C)[nH+]1 ZINC000357778117 409709764 /nfs/dbraw/zinc/70/97/64/409709764.db2.gz BOISALRMLQCHQI-UHFFFAOYSA-N 1 2 288.377 -0.451 20 0 CAADLO Cc1conc1NC(=O)C(=O)N1CC[NH+](C[C@H](C)O)CC1 ZINC000436797522 409710288 /nfs/dbraw/zinc/71/02/88/409710288.db2.gz OEHMAXJNRHVJHV-JTQLQIEISA-N 1 2 296.327 -0.553 20 0 CAADLO CN(C)C(=O)Cn1ccc(NC(=O)[C@H]2C[N@H+](C)CCO2)n1 ZINC000329868788 409642919 /nfs/dbraw/zinc/64/29/19/409642919.db2.gz XVYZJYITCMRYCV-SNVBAGLBSA-N 1 2 295.343 -0.760 20 0 CAADLO CN(C)C(=O)Cn1ccc(NC(=O)[C@H]2C[N@@H+](C)CCO2)n1 ZINC000329868788 409642925 /nfs/dbraw/zinc/64/29/25/409642925.db2.gz XVYZJYITCMRYCV-SNVBAGLBSA-N 1 2 295.343 -0.760 20 0 CAADLO C[C@H](C(=O)Nc1ccn(C)n1)N1CC[NH2+]CC1=O ZINC000637891553 409644868 /nfs/dbraw/zinc/64/48/68/409644868.db2.gz DHORAXFHIVACFS-MRVPVSSYSA-N 1 2 251.290 -0.821 20 0 CAADLO C[C@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2ccn(C)n2)CC1 ZINC000436799767 409651534 /nfs/dbraw/zinc/65/15/34/409651534.db2.gz ZPFXIPPHWSIPBT-JTQLQIEISA-N 1 2 295.343 -1.116 20 0 CAADLO C[N@@H+]1CCOC[C@@H]1CNc1cc(C(N)=O)ncn1 ZINC000641678190 409652772 /nfs/dbraw/zinc/65/27/72/409652772.db2.gz KQLOODWUWKNXEB-QMMMGPOBSA-N 1 2 251.290 -0.682 20 0 CAADLO C[N@H+]1CCOC[C@@H]1CNc1cc(C(N)=O)ncn1 ZINC000641678190 409652779 /nfs/dbraw/zinc/65/27/79/409652779.db2.gz KQLOODWUWKNXEB-QMMMGPOBSA-N 1 2 251.290 -0.682 20 0 CAADLO C[N@@H+]1CCOC[C@H]1CNc1ccc(C(=O)NCCO)nn1 ZINC000624620320 409653109 /nfs/dbraw/zinc/65/31/09/409653109.db2.gz ANVSDYPRHOCGMV-SNVBAGLBSA-N 1 2 295.343 -1.059 20 0 CAADLO C[N@H+]1CCOC[C@H]1CNc1ccc(C(=O)NCCO)nn1 ZINC000624620320 409653115 /nfs/dbraw/zinc/65/31/15/409653115.db2.gz ANVSDYPRHOCGMV-SNVBAGLBSA-N 1 2 295.343 -1.059 20 0 CAADLO C[C@H]1CN(C(=O)C(=O)Nc2ccon2)CC[N@@H+]1CCO ZINC000427394814 409656425 /nfs/dbraw/zinc/65/64/25/409656425.db2.gz LASVEDUGADBCCW-VIFPVBQESA-N 1 2 282.300 -0.862 20 0 CAADLO C[C@H]1CN(C(=O)C(=O)Nc2ccon2)CC[N@H+]1CCO ZINC000427394814 409656430 /nfs/dbraw/zinc/65/64/30/409656430.db2.gz LASVEDUGADBCCW-VIFPVBQESA-N 1 2 282.300 -0.862 20 0 CAADLO CC(C)(C(N)=O)[NH+]1CCN(C(=O)N[C@@H]2CCNC2=O)CC1 ZINC000665333936 409657717 /nfs/dbraw/zinc/65/77/17/409657717.db2.gz GWDCZLGFTHHNHH-SECBINFHSA-N 1 2 297.359 -1.534 20 0 CAADLO C[C@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1ccn(C)n1 ZINC000440286207 409658477 /nfs/dbraw/zinc/65/84/77/409658477.db2.gz WJSJXVVEYPOCCI-VIFPVBQESA-N 1 2 265.317 -0.479 20 0 CAADLO C[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1ccn(C)n1 ZINC000440286207 409658486 /nfs/dbraw/zinc/65/84/86/409658486.db2.gz WJSJXVVEYPOCCI-VIFPVBQESA-N 1 2 265.317 -0.479 20 0 CAADLO Cc1conc1NC(=O)C(=O)N1CC[NH+](CCO)CC1 ZINC000330814949 409710896 /nfs/dbraw/zinc/71/08/96/409710896.db2.gz CBCQMNQEIKNMEO-UHFFFAOYSA-N 1 2 282.300 -0.942 20 0 CAADLO NC(=O)C[C@]1(O)CCC[N@H+](CC(=O)Nc2ccon2)C1 ZINC000643804098 409660337 /nfs/dbraw/zinc/66/03/37/409660337.db2.gz MLVVMBSYKHOSNE-GFCCVEGCSA-N 1 2 282.300 -0.685 20 0 CAADLO NC(=O)C[C@]1(O)CCC[N@@H+](CC(=O)Nc2ccon2)C1 ZINC000643804098 409660345 /nfs/dbraw/zinc/66/03/45/409660345.db2.gz MLVVMBSYKHOSNE-GFCCVEGCSA-N 1 2 282.300 -0.685 20 0 CAADLO C[C@]1(CO)C[C@@H](O)C[N@@H+]1CC(=O)Nc1ccon1 ZINC000639852542 409660934 /nfs/dbraw/zinc/66/09/34/409660934.db2.gz BDTXGPPCWQFTSL-LDYMZIIASA-N 1 2 255.274 -0.569 20 0 CAADLO C[C@]1(CO)C[C@@H](O)C[N@H+]1CC(=O)Nc1ccon1 ZINC000639852542 409660940 /nfs/dbraw/zinc/66/09/40/409660940.db2.gz BDTXGPPCWQFTSL-LDYMZIIASA-N 1 2 255.274 -0.569 20 0 CAADLO NC(=O)c1cc(NC[C@H]2C[NH+]3CCN2CC3)ncn1 ZINC000641453731 409665329 /nfs/dbraw/zinc/66/53/29/409665329.db2.gz OTQDIHHTWPHPIS-VIFPVBQESA-N 1 2 262.317 -1.013 20 0 CAADLO O=C(C[NH+]1[C@H](CO)CC[C@H]1CO)Nc1ccon1 ZINC000639783992 409671015 /nfs/dbraw/zinc/67/10/15/409671015.db2.gz UKZSFUAKCWWXLY-IUCAKERBSA-N 1 2 255.274 -0.569 20 0 CAADLO CNc1nnc(CC(=O)N2CC[NH+](CCO)CC2)s1 ZINC000352422338 409673355 /nfs/dbraw/zinc/67/33/55/409673355.db2.gz ILVPZJOYSURLHF-UHFFFAOYSA-N 1 2 285.373 -0.741 20 0 CAADLO COC(=O)Cn1ccc(NC(=O)CN2CC[NH2+]CC2=O)n1 ZINC000429953629 409675246 /nfs/dbraw/zinc/67/52/46/409675246.db2.gz UZGBPVCZCJMPKY-UHFFFAOYSA-N 1 2 295.299 -1.574 20 0 CAADLO O=C(NC[C@@H](O)C[NH+]1CCOCC1)Nc1nncs1 ZINC000332549118 409680800 /nfs/dbraw/zinc/68/08/00/409680800.db2.gz FFMNEHXARIUFBD-MRVPVSSYSA-N 1 2 287.345 -0.647 20 0 CAADLO CN(Cc1[nH+]ccn1C)C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC000665474777 409681371 /nfs/dbraw/zinc/68/13/71/409681371.db2.gz FXUSKZIESIPAJU-ZETCQYMHSA-N 1 2 265.273 -1.023 20 0 CAADLO COC(=O)c1nccnc1NC[C@H](O)C[NH+]1CCOCC1 ZINC000591889136 409685534 /nfs/dbraw/zinc/68/55/34/409685534.db2.gz QLTSENMJDMDCEK-JTQLQIEISA-N 1 2 296.327 -0.632 20 0 CAADLO COC(=O)c1nccnc1NC[C@@H](O)C[NH+]1CCOCC1 ZINC000591889137 409685761 /nfs/dbraw/zinc/68/57/61/409685761.db2.gz QLTSENMJDMDCEK-SNVBAGLBSA-N 1 2 296.327 -0.632 20 0 CAADLO Cc1nc(N(C)C)nc(NC[C@@H](C)S(N)(=O)=O)[nH+]1 ZINC000348107232 409711952 /nfs/dbraw/zinc/71/19/52/409711952.db2.gz POEOYPVIRDUECH-ZCFIWIBFSA-N 1 2 274.350 -0.665 20 0 CAADLO Cc1nc(NC[C@@H](C)S(N)(=O)=O)nc(N(C)C)[nH+]1 ZINC000348107232 409711958 /nfs/dbraw/zinc/71/19/58/409711958.db2.gz POEOYPVIRDUECH-ZCFIWIBFSA-N 1 2 274.350 -0.665 20 0 CAADLO CS(=O)(=O)NCC[N@@H+]1CCc2cnc(N)nc2C1 ZINC000623293880 409734393 /nfs/dbraw/zinc/73/43/93/409734393.db2.gz JYOSESZJALLJHD-UHFFFAOYSA-N 1 2 271.346 -1.034 20 0 CAADLO CS(=O)(=O)NCC[N@H+]1CCc2cnc(N)nc2C1 ZINC000623293880 409734403 /nfs/dbraw/zinc/73/44/03/409734403.db2.gz JYOSESZJALLJHD-UHFFFAOYSA-N 1 2 271.346 -1.034 20 0 CAADLO COC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1nc(N)nc(N(C)C)n1 ZINC000649743555 409736544 /nfs/dbraw/zinc/73/65/44/409736544.db2.gz WUCXJOXNAYHSBK-DTWKUNHWSA-N 1 2 282.348 -0.899 20 0 CAADLO COC[C@@H]1C[C@@H](O)C[N@H+]1Cc1nc(N)nc(N(C)C)n1 ZINC000649743555 409736557 /nfs/dbraw/zinc/73/65/57/409736557.db2.gz WUCXJOXNAYHSBK-DTWKUNHWSA-N 1 2 282.348 -0.899 20 0 CAADLO C[N@@H+]1CCO[C@@H](CNC(=O)NCCc2nc(N)no2)C1 ZINC000533333007 409741561 /nfs/dbraw/zinc/74/15/61/409741561.db2.gz UVFKNRFYINYXBE-QMMMGPOBSA-N 1 2 284.320 -1.176 20 0 CAADLO C[N@H+]1CCO[C@@H](CNC(=O)NCCc2nc(N)no2)C1 ZINC000533333007 409741568 /nfs/dbraw/zinc/74/15/68/409741568.db2.gz UVFKNRFYINYXBE-QMMMGPOBSA-N 1 2 284.320 -1.176 20 0 CAADLO CO[C@@H]1COC[C@H]1[NH2+]Cc1nc(N)nc(N(C)C)n1 ZINC000646043310 409741760 /nfs/dbraw/zinc/74/17/60/409741760.db2.gz FSWITQLVYKBDEI-HTQZYQBOSA-N 1 2 268.321 -0.977 20 0 CAADLO C[N@@H+]1CCO[C@H](CN=c2nc3[nH][nH]cc-3c(N)n2)C1 ZINC000341923535 409742230 /nfs/dbraw/zinc/74/22/30/409742230.db2.gz YPHJJSFBAYTTSC-SSDOTTSWSA-N 1 2 263.305 -0.949 20 0 CAADLO C[N@H+]1CCO[C@H](CN=c2nc3[nH][nH]cc-3c(N)n2)C1 ZINC000341923535 409742239 /nfs/dbraw/zinc/74/22/39/409742239.db2.gz YPHJJSFBAYTTSC-SSDOTTSWSA-N 1 2 263.305 -0.949 20 0 CAADLO C[C@H]1COCC[N@@H+]1CCNC(=O)Cn1cnc(N)n1 ZINC000630926825 409744532 /nfs/dbraw/zinc/74/45/32/409744532.db2.gz BMQDIQPQCCNEPE-VIFPVBQESA-N 1 2 268.321 -1.303 20 0 CAADLO C[C@H]1COCC[N@H+]1CCNC(=O)Cn1cnc(N)n1 ZINC000630926825 409744539 /nfs/dbraw/zinc/74/45/39/409744539.db2.gz BMQDIQPQCCNEPE-VIFPVBQESA-N 1 2 268.321 -1.303 20 0 CAADLO Nc1cc(C[N@@H+]2CCN3C(=O)C(=O)NC[C@@H]3C2)ccn1 ZINC000329923641 409748908 /nfs/dbraw/zinc/74/89/08/409748908.db2.gz HBRPBLWXHRIKRP-SNVBAGLBSA-N 1 2 275.312 -1.194 20 0 CAADLO Nc1cc(C[N@H+]2CCN3C(=O)C(=O)NC[C@@H]3C2)ccn1 ZINC000329923641 409748920 /nfs/dbraw/zinc/74/89/20/409748920.db2.gz HBRPBLWXHRIKRP-SNVBAGLBSA-N 1 2 275.312 -1.194 20 0 CAADLO Nc1nsc(N2CC[NH+]([C@H]3COC[C@H]3O)CC2)n1 ZINC000361328049 409751208 /nfs/dbraw/zinc/75/12/08/409751208.db2.gz GMRUSEICVSXXFG-JGVFFNPUSA-N 1 2 271.346 -0.998 20 0 CAADLO C[C@@H](C(=O)NCCNc1cnccn1)N1CC[NH2+]CC1=O ZINC000638068937 409714517 /nfs/dbraw/zinc/71/45/17/409714517.db2.gz ZDPMFJCJIZJXKU-JTQLQIEISA-N 1 2 292.343 -1.175 20 0 CAADLO C[C@@H](C(=O)Nc1ccn(C)n1)N1CC[NH2+]CC1=O ZINC000637891555 409715384 /nfs/dbraw/zinc/71/53/84/409715384.db2.gz DHORAXFHIVACFS-QMMMGPOBSA-N 1 2 251.290 -0.821 20 0 CAADLO Cc1nc(N[C@H]2CNC(=O)C2)nc(N[C@@H]2CNC(=O)C2)[nH+]1 ZINC000432830768 409716541 /nfs/dbraw/zinc/71/65/41/409716541.db2.gz RURASSGGLWUXIL-OCAPTIKFSA-N 1 2 291.315 -1.219 20 0 CAADLO Cc1nc(N[C@@H]2CNC(=O)C2)nc(N[C@H]2CNC(=O)C2)[nH+]1 ZINC000432830768 409716550 /nfs/dbraw/zinc/71/65/50/409716550.db2.gz RURASSGGLWUXIL-OCAPTIKFSA-N 1 2 291.315 -1.219 20 0 CAADLO C[C@@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2ccn(C)n2)CC1 ZINC000445169061 409719339 /nfs/dbraw/zinc/71/93/39/409719339.db2.gz ZPFXIPPHWSIPBT-SNVBAGLBSA-N 1 2 295.343 -1.116 20 0 CAADLO CCCC[C@@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(N)=O)C1 ZINC001195718372 782014064 /nfs/dbraw/zinc/01/40/64/782014064.db2.gz WADICMYQJNYFAK-HRDYMLBCSA-N 1 2 286.332 -2.323 20 0 CAADLO CCCC[C@@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)C(N)=O)C1 ZINC001195718372 782014070 /nfs/dbraw/zinc/01/40/70/782014070.db2.gz WADICMYQJNYFAK-HRDYMLBCSA-N 1 2 286.332 -2.323 20 0 CAADLO C[C@@H]1C(=O)N(C)CC[N@H+]1Cc1cn(C)c(=O)n(C)c1=O ZINC000190082970 287173419 /nfs/dbraw/zinc/17/34/19/287173419.db2.gz ZHZBYBAYAHGHFG-SECBINFHSA-N 1 2 280.328 -1.254 20 0 CAADLO C[C@@H]1C(=O)N(C)CC[N@@H+]1Cc1cn(C)c(=O)n(C)c1=O ZINC000190082970 287173422 /nfs/dbraw/zinc/17/34/22/287173422.db2.gz ZHZBYBAYAHGHFG-SECBINFHSA-N 1 2 280.328 -1.254 20 0 CAADLO NS(=O)(=O)CCCC(=O)N[C@@H]1C[N@H+](CCF)C[C@H]1O ZINC001195747513 782017857 /nfs/dbraw/zinc/01/78/57/782017857.db2.gz WCVLVZYLJUHZQA-RKDXNWHRSA-N 1 2 297.352 -1.814 20 0 CAADLO NS(=O)(=O)CCCC(=O)N[C@@H]1C[N@@H+](CCF)C[C@H]1O ZINC001195747513 782017869 /nfs/dbraw/zinc/01/78/69/782017869.db2.gz WCVLVZYLJUHZQA-RKDXNWHRSA-N 1 2 297.352 -1.814 20 0 CAADLO NC(=O)C1(C(=O)N[C@@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@H]2O)CC1 ZINC001195783237 782017692 /nfs/dbraw/zinc/01/76/92/782017692.db2.gz FHFVFGRMUNQXGD-HRDYMLBCSA-N 1 2 296.327 -2.698 20 0 CAADLO NC(=O)C1(C(=O)N[C@@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]2O)CC1 ZINC001195783237 782017700 /nfs/dbraw/zinc/01/77/00/782017700.db2.gz FHFVFGRMUNQXGD-HRDYMLBCSA-N 1 2 296.327 -2.698 20 0 CAADLO CC[C@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2(C(N)=O)CC2)C1 ZINC001195789506 782017761 /nfs/dbraw/zinc/01/77/61/782017761.db2.gz IACUPXZWIVOWRD-IWSPIJDZSA-N 1 2 298.343 -2.323 20 0 CAADLO CC[C@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)C2(C(N)=O)CC2)C1 ZINC001195789506 782017770 /nfs/dbraw/zinc/01/77/70/782017770.db2.gz IACUPXZWIVOWRD-IWSPIJDZSA-N 1 2 298.343 -2.323 20 0 CAADLO C[C@@H](CC(=O)N1CCC[N@H+](CC(N)=O)CC1)NC(N)=O ZINC001195854073 782018484 /nfs/dbraw/zinc/01/84/84/782018484.db2.gz URBRGTKQSGGOKP-VIFPVBQESA-N 1 2 285.348 -1.547 20 0 CAADLO C[C@@H](CC(=O)N1CCC[N@@H+](CC(N)=O)CC1)NC(N)=O ZINC001195854073 782018493 /nfs/dbraw/zinc/01/84/93/782018493.db2.gz URBRGTKQSGGOKP-VIFPVBQESA-N 1 2 285.348 -1.547 20 0 CAADLO CN(C)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2(C(N)=O)CC2)C1 ZINC001195776204 782017956 /nfs/dbraw/zinc/01/79/56/782017956.db2.gz YYJOFTYTWZWBHM-RKDXNWHRSA-N 1 2 298.343 -2.499 20 0 CAADLO CN(C)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C2(C(N)=O)CC2)C1 ZINC001195776204 782017964 /nfs/dbraw/zinc/01/79/64/782017964.db2.gz YYJOFTYTWZWBHM-RKDXNWHRSA-N 1 2 298.343 -2.499 20 0 CAADLO CN1C[C@H](C(=O)N2CC[NH+](CCO)CC2)CC1=O ZINC000035205926 172049929 /nfs/dbraw/zinc/04/99/29/172049929.db2.gz STMSVMNUOSSNLV-SNVBAGLBSA-N 1 2 255.318 -1.399 20 0 CAADLO CCN1C[C@@H](C(=O)N2CC[NH+](CCO)CC2)CC1=O ZINC000035205933 172050094 /nfs/dbraw/zinc/05/00/94/172050094.db2.gz LIYXLKSLLBNYFD-NSHDSACASA-N 1 2 269.345 -1.009 20 0 CAADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)Cn2nccn2)CC1 ZINC001195966784 782020854 /nfs/dbraw/zinc/02/08/54/782020854.db2.gz WTBSCPXPGIHIEJ-UHFFFAOYSA-N 1 2 294.359 -1.052 20 0 CAADLO CCNC(=O)C[N@H+]1CCCN(C(=O)Cn2nccn2)CC1 ZINC001195966784 782020864 /nfs/dbraw/zinc/02/08/64/782020864.db2.gz WTBSCPXPGIHIEJ-UHFFFAOYSA-N 1 2 294.359 -1.052 20 0 CAADLO NC(=O)CNC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000344264108 225008912 /nfs/dbraw/zinc/00/89/12/225008912.db2.gz PFPTZEDOCYQYSG-SNVBAGLBSA-N 1 2 298.343 -2.231 20 0 CAADLO O=C(NCCC[N@@H+]1CCNC(=O)C1)c1cnc[nH]1 ZINC000344723063 225142216 /nfs/dbraw/zinc/14/22/16/225142216.db2.gz IGBUCLIJFOIHAC-UHFFFAOYSA-N 1 2 251.290 -1.039 20 0 CAADLO O=C(NCCC[N@H+]1CCNC(=O)C1)c1cnc[nH]1 ZINC000344723063 225142220 /nfs/dbraw/zinc/14/22/20/225142220.db2.gz IGBUCLIJFOIHAC-UHFFFAOYSA-N 1 2 251.290 -1.039 20 0 CAADLO C[C@@H](C(=O)NCCC[N@@H+]1CCNC(=O)C1)N1CCOCC1 ZINC000344709127 225154489 /nfs/dbraw/zinc/15/44/89/225154489.db2.gz CFAAOTNPQCPRLM-LBPRGKRZSA-N 1 2 298.387 -1.355 20 0 CAADLO C[C@@H](C(=O)NCCC[N@H+]1CCNC(=O)C1)N1CCOCC1 ZINC000344709127 225154494 /nfs/dbraw/zinc/15/44/94/225154494.db2.gz CFAAOTNPQCPRLM-LBPRGKRZSA-N 1 2 298.387 -1.355 20 0 CAADLO COC[C@@](C)(NC[C@@H](O)C[NH+]1CCOCC1)C(=O)OC ZINC000347550412 226190247 /nfs/dbraw/zinc/19/02/47/226190247.db2.gz PQLQGJAAZHHRFV-DGCLKSJQSA-N 1 2 290.360 -1.153 20 0 CAADLO O=C1NC[C@@H]2C[N@H+](CCc3cn[nH]c3)CCN2C1=O ZINC000347762273 226240651 /nfs/dbraw/zinc/24/06/51/226240651.db2.gz YQHHXUUDGYIIJE-SNVBAGLBSA-N 1 2 263.301 -1.405 20 0 CAADLO O=C1NC[C@@H]2C[N@@H+](CCc3cn[nH]c3)CCN2C1=O ZINC000347762273 226240653 /nfs/dbraw/zinc/24/06/53/226240653.db2.gz YQHHXUUDGYIIJE-SNVBAGLBSA-N 1 2 263.301 -1.405 20 0 CAADLO C[C@H]1COCC[N@@H+]1CCNC(=O)C(=O)NCC1(C)COC1 ZINC000347984160 226397920 /nfs/dbraw/zinc/39/79/20/226397920.db2.gz WOJWDFWXBLTCQU-NSHDSACASA-N 1 2 299.371 -1.024 20 0 CAADLO C[C@H]1COCC[N@H+]1CCNC(=O)C(=O)NCC1(C)COC1 ZINC000347984160 226397922 /nfs/dbraw/zinc/39/79/22/226397922.db2.gz WOJWDFWXBLTCQU-NSHDSACASA-N 1 2 299.371 -1.024 20 0 CAADLO COC[C@H](CO)NS(=O)(=O)CCC[NH+]1CCOCC1 ZINC000352524118 227030401 /nfs/dbraw/zinc/03/04/01/227030401.db2.gz VWSQAPRXNVNWHR-NSHDSACASA-N 1 2 296.389 -1.365 20 0 CAADLO O=C1N=NC2CN(C[C@@H](O)C[NH+]3CCOCC3)CCN12 ZINC000329990415 228008772 /nfs/dbraw/zinc/00/87/72/228008772.db2.gz IYLJLSKWLYFDOM-JTQLQIEISA-N 1 2 283.332 -1.508 20 0 CAADLO NS(=O)(=O)[C@H]1CC[N@H+](CC(=O)NCC2CC2)C1 ZINC000331658281 228117993 /nfs/dbraw/zinc/11/79/93/228117993.db2.gz LWLIHLBYBSJKBU-VIFPVBQESA-N 1 2 261.347 -1.125 20 0 CAADLO NS(=O)(=O)[C@H]1CC[N@@H+](CC(=O)NCC2CC2)C1 ZINC000331658281 228117994 /nfs/dbraw/zinc/11/79/94/228117994.db2.gz LWLIHLBYBSJKBU-VIFPVBQESA-N 1 2 261.347 -1.125 20 0 CAADLO O=C([C@@H]1CNC(=O)C1)N1CC[NH+](CCn2cncn2)CC1 ZINC000331891286 228136371 /nfs/dbraw/zinc/13/63/71/228136371.db2.gz ISODIWKLCAHMSN-NSHDSACASA-N 1 2 292.343 -1.442 20 0 CAADLO CN(C)C(=O)C1(C(=O)N[C@H](CO)C[NH+]2CCOCC2)CC1 ZINC000331914532 228138387 /nfs/dbraw/zinc/13/83/87/228138387.db2.gz UMPAZZVOWRLARX-NSHDSACASA-N 1 2 299.371 -1.336 20 0 CAADLO O=C(NCC1CC1)C(=O)N1CC[NH+](CCO)CC1 ZINC000331953562 228141533 /nfs/dbraw/zinc/14/15/33/228141533.db2.gz ZCFIKJCZZLOTBO-UHFFFAOYSA-N 1 2 255.318 -1.351 20 0 CAADLO C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)CNC(N)=O)CC1 ZINC000332143927 228150346 /nfs/dbraw/zinc/15/03/46/228150346.db2.gz HFEZFGDBQORYKX-SECBINFHSA-N 1 2 297.359 -1.534 20 0 CAADLO CO[C@H]1C[C@@H](CO)[N@H+](CC(=O)NCC(=O)N2CCCC2)C1 ZINC000332249158 228153229 /nfs/dbraw/zinc/15/32/29/228153229.db2.gz BGAFRXZDGCRTBO-RYUDHWBXSA-N 1 2 299.371 -1.193 20 0 CAADLO CO[C@H]1C[C@@H](CO)[N@@H+](CC(=O)NCC(=O)N2CCCC2)C1 ZINC000332249158 228153230 /nfs/dbraw/zinc/15/32/30/228153230.db2.gz BGAFRXZDGCRTBO-RYUDHWBXSA-N 1 2 299.371 -1.193 20 0 CAADLO CO[C@H]1C[C@@H](C(=O)N2CCCC2)[N@H+](CC(=O)NC(N)=O)C1 ZINC000332645362 228164559 /nfs/dbraw/zinc/16/45/59/228164559.db2.gz BRVBXUUTKJWEGR-UWVGGRQHSA-N 1 2 298.343 -1.107 20 0 CAADLO CO[C@H]1C[C@@H](C(=O)N2CCCC2)[N@@H+](CC(=O)NC(N)=O)C1 ZINC000332645362 228164560 /nfs/dbraw/zinc/16/45/60/228164560.db2.gz BRVBXUUTKJWEGR-UWVGGRQHSA-N 1 2 298.343 -1.107 20 0 CAADLO C[C@H]1COCC[N@@H+]1CCNC(=O)CN1CN=NC1=O ZINC000333037185 228188150 /nfs/dbraw/zinc/18/81/50/228188150.db2.gz IVRCQQOLIFUZMO-VIFPVBQESA-N 1 2 269.305 -1.179 20 0 CAADLO C[C@H]1COCC[N@H+]1CCNC(=O)CN1CN=NC1=O ZINC000333037185 228188151 /nfs/dbraw/zinc/18/81/51/228188151.db2.gz IVRCQQOLIFUZMO-VIFPVBQESA-N 1 2 269.305 -1.179 20 0 CAADLO C[C@H]1C[N@H+](CCO)CCN1S(=O)(=O)C1COC1 ZINC000333056808 228188935 /nfs/dbraw/zinc/18/89/35/228188935.db2.gz HQDWOVBPCQAOCG-VIFPVBQESA-N 1 2 264.347 -1.287 20 0 CAADLO C[C@H]1C[N@@H+](CCO)CCN1S(=O)(=O)C1COC1 ZINC000333056808 228188936 /nfs/dbraw/zinc/18/89/36/228188936.db2.gz HQDWOVBPCQAOCG-VIFPVBQESA-N 1 2 264.347 -1.287 20 0 CAADLO C[C@@H]1C[C@@H](C(=O)NCC(=O)NCC[NH+]2CCOCC2)CO1 ZINC000333281764 228195813 /nfs/dbraw/zinc/19/58/13/228195813.db2.gz JBYUMOAXHAGANU-VXGBXAGGSA-N 1 2 299.371 -1.024 20 0 CAADLO CNC(=O)NCC(=O)N1CCC[N@@H+]([C@@H](C)C(N)=O)CC1 ZINC001196065778 782025074 /nfs/dbraw/zinc/02/50/74/782025074.db2.gz AIZKRRPKUNIEGR-VIFPVBQESA-N 1 2 285.348 -1.677 20 0 CAADLO CNC(=O)NCC(=O)N1CCC[N@H+]([C@@H](C)C(N)=O)CC1 ZINC001196065778 782025084 /nfs/dbraw/zinc/02/50/84/782025084.db2.gz AIZKRRPKUNIEGR-VIFPVBQESA-N 1 2 285.348 -1.677 20 0 CAADLO Cn1c(N)c(C(=O)Cn2cc[nH+]c2)c(=O)n(C)c1=O ZINC000010809375 230155549 /nfs/dbraw/zinc/15/55/49/230155549.db2.gz QNOCQYCKXHAPBB-UHFFFAOYSA-N 1 2 263.257 -1.254 20 0 CAADLO O=C(C[N@@H+]1CCNC(=O)CC1)NC(=O)NC1CC1 ZINC000054258210 230160136 /nfs/dbraw/zinc/16/01/36/230160136.db2.gz NHWCBYQQCZTGTD-UHFFFAOYSA-N 1 2 254.290 -1.204 20 0 CAADLO O=C(C[N@H+]1CCNC(=O)CC1)NC(=O)NC1CC1 ZINC000054258210 230160140 /nfs/dbraw/zinc/16/01/40/230160140.db2.gz NHWCBYQQCZTGTD-UHFFFAOYSA-N 1 2 254.290 -1.204 20 0 CAADLO Cc1nn(C)cc1C[N@@H+]1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC000091865844 230166463 /nfs/dbraw/zinc/16/64/63/230166463.db2.gz SLEXHJRNZNETFC-LLVKDONJSA-N 1 2 277.328 -1.129 20 0 CAADLO Cc1nn(C)cc1C[N@H+]1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC000091865844 230166468 /nfs/dbraw/zinc/16/64/68/230166468.db2.gz SLEXHJRNZNETFC-LLVKDONJSA-N 1 2 277.328 -1.129 20 0 CAADLO NC(=O)c1ccccc1NC(=O)C[N@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000093091988 230167906 /nfs/dbraw/zinc/16/79/06/230167906.db2.gz JVELEAKADGRQFP-PHIMTYICSA-N 1 2 279.296 -1.239 20 0 CAADLO NC(=O)c1ccccc1NC(=O)C[N@@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000093091988 230167910 /nfs/dbraw/zinc/16/79/10/230167910.db2.gz JVELEAKADGRQFP-PHIMTYICSA-N 1 2 279.296 -1.239 20 0 CAADLO C[C@H](CNC(=O)CN(C)S(C)(=O)=O)[NH+]1CCOCC1 ZINC000105995069 230169800 /nfs/dbraw/zinc/16/98/00/230169800.db2.gz XLHNJRXJBDYJEU-SNVBAGLBSA-N 1 2 293.389 -1.285 20 0 CAADLO CCn1c(N)c(C(=O)C[N@@H+]2CC[C@H](O)C2)c(=O)[nH]c1=O ZINC000114470158 230169999 /nfs/dbraw/zinc/16/99/99/230169999.db2.gz LLJDALCMVGAMDH-ZETCQYMHSA-N 1 2 282.300 -1.612 20 0 CAADLO CCn1c(N)c(C(=O)C[N@H+]2CC[C@H](O)C2)c(=O)[nH]c1=O ZINC000114470158 230170005 /nfs/dbraw/zinc/17/00/05/230170005.db2.gz LLJDALCMVGAMDH-ZETCQYMHSA-N 1 2 282.300 -1.612 20 0 CAADLO O=C1NC[C@@H]2C[N@@H+]([C@@H]3CCCCNC3=O)CCN2C1=O ZINC000120246626 230171724 /nfs/dbraw/zinc/17/17/24/230171724.db2.gz NWASPAXQXNFLNY-NXEZZACHSA-N 1 2 280.328 -1.702 20 0 CAADLO O=C1NC[C@@H]2C[N@H+]([C@@H]3CCCCNC3=O)CCN2C1=O ZINC000120246626 230171729 /nfs/dbraw/zinc/17/17/29/230171729.db2.gz NWASPAXQXNFLNY-NXEZZACHSA-N 1 2 280.328 -1.702 20 0 CAADLO CCn1c(N)c(C(=O)C[N@H+](CCO)C2CC2)c(=O)[nH]c1=O ZINC000124032877 230172373 /nfs/dbraw/zinc/17/23/73/230172373.db2.gz AURHBWDWVLDFHM-UHFFFAOYSA-N 1 2 296.327 -1.222 20 0 CAADLO CCn1c(N)c(C(=O)C[N@@H+](CCO)C2CC2)c(=O)[nH]c1=O ZINC000124032877 230172378 /nfs/dbraw/zinc/17/23/78/230172378.db2.gz AURHBWDWVLDFHM-UHFFFAOYSA-N 1 2 296.327 -1.222 20 0 CAADLO O=C(CN1CC[NH2+]CC1=O)NCC(=O)N1CCCCC1 ZINC000151455009 230181399 /nfs/dbraw/zinc/18/13/99/230181399.db2.gz FUKHZYXHJHKKNQ-UHFFFAOYSA-N 1 2 282.344 -1.453 20 0 CAADLO Cn1cc(CCCNC(=O)CN2CC[NH2+]CC2=O)cn1 ZINC000155365939 230182031 /nfs/dbraw/zinc/18/20/31/230182031.db2.gz PDBCRKCIISSFKG-UHFFFAOYSA-N 1 2 279.344 -1.099 20 0 CAADLO C[C@H]1CO[C@H](CO)C[N@@H+]1CC(=O)N1CCNC1=O ZINC000168601821 230185622 /nfs/dbraw/zinc/18/56/22/230185622.db2.gz WPUSVQMMSDHNJC-IUCAKERBSA-N 1 2 257.290 -1.380 20 0 CAADLO C[C@@H]1CO[C@H](CO)C[N@@H+]1CC(=O)N1CCC[C@H](C(N)=O)C1 ZINC000167841824 230186590 /nfs/dbraw/zinc/18/65/90/230186590.db2.gz NTNCGLBHAIJGBI-WOPDTQHZSA-N 1 2 299.371 -1.208 20 0 CAADLO C[C@@H]1CO[C@H](CO)C[N@H+]1CC(=O)N1CCC[C@H](C(N)=O)C1 ZINC000167841824 230186596 /nfs/dbraw/zinc/18/65/96/230186596.db2.gz NTNCGLBHAIJGBI-WOPDTQHZSA-N 1 2 299.371 -1.208 20 0 CAADLO C[C@@H]1CO[C@H](CO)C[N@@H+]1Cc1cc(=O)n(C)c(=O)n1C ZINC000167825100 230186650 /nfs/dbraw/zinc/18/66/50/230186650.db2.gz NGWLAGRRRQBAAV-KOLCDFICSA-N 1 2 283.328 -1.334 20 0 CAADLO C[C@@H]1CO[C@H](CO)C[N@H+]1Cc1cc(=O)n(C)c(=O)n1C ZINC000167825100 230186656 /nfs/dbraw/zinc/18/66/56/230186656.db2.gz NGWLAGRRRQBAAV-KOLCDFICSA-N 1 2 283.328 -1.334 20 0 CAADLO O=C(CN1CC[NH2+]CC1=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000165525336 230186845 /nfs/dbraw/zinc/18/68/45/230186845.db2.gz NNNBJWSOLXCLHD-GFCCVEGCSA-N 1 2 296.371 -1.649 20 0 CAADLO O=C(C(=O)N1CC[NH+](CCO)CC1)N1CCOCC1 ZINC000170347781 230186857 /nfs/dbraw/zinc/18/68/57/230186857.db2.gz MVJKALYZACTYRG-UHFFFAOYSA-N 1 2 271.317 -2.018 20 0 CAADLO C[C@H]1CO[C@@H](CO)C[N@@H+]1Cc1cc(=O)n(C)c(=O)n1C ZINC000167825402 230187945 /nfs/dbraw/zinc/18/79/45/230187945.db2.gz NGWLAGRRRQBAAV-GXSJLCMTSA-N 1 2 283.328 -1.334 20 0 CAADLO C[C@H]1CO[C@@H](CO)C[N@H+]1Cc1cc(=O)n(C)c(=O)n1C ZINC000167825402 230187949 /nfs/dbraw/zinc/18/79/49/230187949.db2.gz NGWLAGRRRQBAAV-GXSJLCMTSA-N 1 2 283.328 -1.334 20 0 CAADLO COCCS(=O)(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000171094469 230188841 /nfs/dbraw/zinc/18/88/41/230188841.db2.gz JOWUDGCVTDIAIO-VIFPVBQESA-N 1 2 252.336 -1.117 20 0 CAADLO COCCS(=O)(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000171094469 230188847 /nfs/dbraw/zinc/18/88/47/230188847.db2.gz JOWUDGCVTDIAIO-VIFPVBQESA-N 1 2 252.336 -1.117 20 0 CAADLO Cn1nc2c(cc1=O)C[N@@H+](CC(=O)N1CCOCC1)CC2 ZINC000172795957 230189919 /nfs/dbraw/zinc/18/99/19/230189919.db2.gz XEWMDLREMGJURT-UHFFFAOYSA-N 1 2 292.339 -1.003 20 0 CAADLO Cn1nc2c(cc1=O)C[N@H+](CC(=O)N1CCOCC1)CC2 ZINC000172795957 230189924 /nfs/dbraw/zinc/18/99/24/230189924.db2.gz XEWMDLREMGJURT-UHFFFAOYSA-N 1 2 292.339 -1.003 20 0 CAADLO CCS(=O)(=O)NCC[N@@H+]1CCN2C(=O)NC[C@@H]2C1 ZINC000175925836 230191737 /nfs/dbraw/zinc/19/17/37/230191737.db2.gz MWLOZEFMYCEMDL-SECBINFHSA-N 1 2 276.362 -1.365 20 0 CAADLO CCS(=O)(=O)NCC[N@H+]1CCN2C(=O)NC[C@@H]2C1 ZINC000175925836 230191741 /nfs/dbraw/zinc/19/17/41/230191741.db2.gz MWLOZEFMYCEMDL-SECBINFHSA-N 1 2 276.362 -1.365 20 0 CAADLO O=C(CCN1C(=O)CCC1=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000178613095 230193012 /nfs/dbraw/zinc/19/30/12/230193012.db2.gz SQADRYGFSDVESW-LLVKDONJSA-N 1 2 294.355 -1.359 20 0 CAADLO O=C(NC[C@@H]1C[NH+]2CCN1CC2)[C@H]1CCNC(=O)C1 ZINC000178731949 230194013 /nfs/dbraw/zinc/19/40/13/230194013.db2.gz AXNZMTWOAKYNID-WDEREUQCSA-N 1 2 266.345 -1.371 20 0 CAADLO COC[C@@H](C)S(=O)(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000179056583 230196597 /nfs/dbraw/zinc/19/65/97/230196597.db2.gz LAQJMEJHPGDAAG-GHMZBOCLSA-N 1 2 277.390 -1.060 20 0 CAADLO COC[C@H](O)C[N@@H+]1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC000181596970 230198668 /nfs/dbraw/zinc/19/86/68/230198668.db2.gz BWLKFWRNMRFUKO-VHSXEESVSA-N 1 2 266.363 -1.041 20 0 CAADLO COC[C@H](O)C[N@H+]1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC000181596970 230198670 /nfs/dbraw/zinc/19/86/70/230198670.db2.gz BWLKFWRNMRFUKO-VHSXEESVSA-N 1 2 266.363 -1.041 20 0 CAADLO C[C@H](C[NH+]1CCOCC1)NC(=O)Cn1cn[nH]c1=O ZINC000180531420 230199434 /nfs/dbraw/zinc/19/94/34/230199434.db2.gz CRPOJOLTXMHKKR-SECBINFHSA-N 1 2 269.305 -1.592 20 0 CAADLO C[C@H](C[S@@](C)=O)[N@H+](C)CC(=O)N1CCNC(=O)C1 ZINC000185105128 230201120 /nfs/dbraw/zinc/20/11/20/230201120.db2.gz RLQYUNPAXVAZIA-DYBLOJMWSA-N 1 2 275.374 -1.356 20 0 CAADLO C[C@H](C[S@@](C)=O)[N@@H+](C)CC(=O)N1CCNC(=O)C1 ZINC000185105128 230201122 /nfs/dbraw/zinc/20/11/22/230201122.db2.gz RLQYUNPAXVAZIA-DYBLOJMWSA-N 1 2 275.374 -1.356 20 0 CAADLO C[C@H]1CC[N@@H+](CC(=O)N2CCNC(=O)C2)[C@H](C(N)=O)C1 ZINC000187402071 230203170 /nfs/dbraw/zinc/20/31/70/230203170.db2.gz HBHFJNDHBODHKE-UWVGGRQHSA-N 1 2 282.344 -1.469 20 0 CAADLO C[C@H]1C(=O)NCCC[N@@H+]1Cc1cc(=O)n(C)c(=O)n1C ZINC000189265941 230205153 /nfs/dbraw/zinc/20/51/53/230205153.db2.gz IGEFSAQIBJDWIP-VIFPVBQESA-N 1 2 280.328 -1.206 20 0 CAADLO C[C@H]1C[N@@H+](CCCS(N)(=O)=O)C[C@@H](CO)O1 ZINC000248824229 230216055 /nfs/dbraw/zinc/21/60/55/230216055.db2.gz JYOYFAZTPVNNKY-IUCAKERBSA-N 1 2 252.336 -1.253 20 0 CAADLO C[C@H]1C[N@H+](CCCS(N)(=O)=O)C[C@@H](CO)O1 ZINC000248824229 230216052 /nfs/dbraw/zinc/21/60/52/230216052.db2.gz JYOYFAZTPVNNKY-IUCAKERBSA-N 1 2 252.336 -1.253 20 0 CAADLO C[C@@H](CO)NC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000343173462 230240173 /nfs/dbraw/zinc/24/01/73/230240173.db2.gz MIEKZMNMTMUMMC-RYUDHWBXSA-N 1 2 299.371 -1.336 20 0 CAADLO C[C@H](CO)NC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000343173460 230240691 /nfs/dbraw/zinc/24/06/91/230240691.db2.gz MIEKZMNMTMUMMC-NEPJUHHUSA-N 1 2 299.371 -1.336 20 0 CAADLO C[C@@H]1COCCN(C(=O)C(=O)NC[C@H]2C[N@H+](C)CCO2)C1 ZINC000358164751 230243411 /nfs/dbraw/zinc/24/34/11/230243411.db2.gz JABRGGGIAYDSDT-RYUDHWBXSA-N 1 2 299.371 -1.072 20 0 CAADLO C[C@@H]1COCCN(C(=O)C(=O)NC[C@H]2C[N@@H+](C)CCO2)C1 ZINC000358164751 230243415 /nfs/dbraw/zinc/24/34/15/230243415.db2.gz JABRGGGIAYDSDT-RYUDHWBXSA-N 1 2 299.371 -1.072 20 0 CAADLO COCC[N@H+](CC(=O)NCC(=O)OC)[C@@H](C)C(N)=O ZINC000358356916 230244590 /nfs/dbraw/zinc/24/45/90/230244590.db2.gz PYDMMPYXEFLZML-QMMMGPOBSA-N 1 2 275.305 -1.902 20 0 CAADLO COCC[N@@H+](CC(=O)NCC(=O)OC)[C@@H](C)C(N)=O ZINC000358356916 230244595 /nfs/dbraw/zinc/24/45/95/230244595.db2.gz PYDMMPYXEFLZML-QMMMGPOBSA-N 1 2 275.305 -1.902 20 0 CAADLO COC(=O)[C@@H]1C[N@H+](C)CCN1C(=O)c1cncc(=O)[nH]1 ZINC001196158327 782028550 /nfs/dbraw/zinc/02/85/50/782028550.db2.gz OBJUGWODWFBGQE-VIFPVBQESA-N 1 2 280.284 -1.301 20 0 CAADLO COC(=O)[C@@H]1C[N@@H+](C)CCN1C(=O)c1cncc(=O)[nH]1 ZINC001196158327 782028556 /nfs/dbraw/zinc/02/85/56/782028556.db2.gz OBJUGWODWFBGQE-VIFPVBQESA-N 1 2 280.284 -1.301 20 0 CAADLO Cn1cc(OCC(=O)N[C@@H](CO)C[NH+]2CCOCC2)cn1 ZINC000425298958 230285571 /nfs/dbraw/zinc/28/55/71/230285571.db2.gz XTLNYQIPJKTXCM-LLVKDONJSA-N 1 2 298.343 -1.392 20 0 CAADLO O=C(CC(=O)NCC1CC1)NCCC[N@@H+]1CCNC(=O)C1 ZINC000427702422 230291432 /nfs/dbraw/zinc/29/14/32/230291432.db2.gz ALXPLQURBQKQSY-UHFFFAOYSA-N 1 2 296.371 -1.159 20 0 CAADLO O=C(CC(=O)NCC1CC1)NCCC[N@H+]1CCNC(=O)C1 ZINC000427702422 230291436 /nfs/dbraw/zinc/29/14/36/230291436.db2.gz ALXPLQURBQKQSY-UHFFFAOYSA-N 1 2 296.371 -1.159 20 0 CAADLO Cn1cc(NC(=O)CN2CC[NH2+]CC2=O)cc1C(N)=O ZINC000430187368 230304513 /nfs/dbraw/zinc/30/45/13/230304513.db2.gz PAOQANCQDFFKHD-UHFFFAOYSA-N 1 2 279.300 -1.506 20 0 CAADLO COCCOCCCCNC(=O)CN1CC[NH2+]CC1=O ZINC000430250628 230305164 /nfs/dbraw/zinc/30/51/64/230305164.db2.gz VABNPKHZQLVLCH-UHFFFAOYSA-N 1 2 287.360 -1.022 20 0 CAADLO COC[C@@H]1CCN(C(=O)CN2CC[NH2+]CC2=O)C1 ZINC000430544068 230308487 /nfs/dbraw/zinc/30/84/87/230308487.db2.gz SQRALWGAYWNPNZ-SNVBAGLBSA-N 1 2 255.318 -1.087 20 0 CAADLO NC(=O)c1ccc(CNC(=O)CN2CC[NH2+]CC2=O)cn1 ZINC000430819172 230309330 /nfs/dbraw/zinc/30/93/30/230309330.db2.gz GPLQWSBEPFVSQS-UHFFFAOYSA-N 1 2 291.311 -1.772 20 0 CAADLO COCCS(=O)(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000433728424 230317078 /nfs/dbraw/zinc/31/70/78/230317078.db2.gz BKNOMRNVFIDELX-LLVKDONJSA-N 1 2 296.389 -1.413 20 0 CAADLO CN(CC[NH+](C)C)S(=O)(=O)N1CCS(=O)(=O)CC1 ZINC000433691456 230317191 /nfs/dbraw/zinc/31/71/91/230317191.db2.gz SPSJPMMWFRMKAB-UHFFFAOYSA-N 1 2 299.418 -1.545 20 0 CAADLO CN(C)C(=O)CC(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000438165552 230322195 /nfs/dbraw/zinc/32/21/95/230322195.db2.gz CULIPIGSJPJIMB-JTQLQIEISA-N 1 2 254.334 -1.419 20 0 CAADLO C[NH+](C)CCNS(=O)(=O)N1CCS(=O)(=O)CC1 ZINC000441374095 230328372 /nfs/dbraw/zinc/32/83/72/230328372.db2.gz GKHIXCBISJPQBZ-UHFFFAOYSA-N 1 2 285.391 -1.887 20 0 CAADLO O=S(=O)([C@@H]1CCOC1)N1CC[NH+](CCO)CC1 ZINC000443094040 230330605 /nfs/dbraw/zinc/33/06/05/230330605.db2.gz BICRXDNGVHCQMS-SNVBAGLBSA-N 1 2 264.347 -1.285 20 0 CAADLO O=S(=O)(NC[C@@H]1C[NH+]2CCN1CC2)[C@H]1CCOC1 ZINC000446933492 230339625 /nfs/dbraw/zinc/33/96/25/230339625.db2.gz NFPNVIZFUPMMHM-MNOVXSKESA-N 1 2 275.374 -1.306 20 0 CAADLO CN(C)C(=O)CNC(=O)C(=O)N1CC[NH+](CCO)CC1 ZINC000445929200 230340542 /nfs/dbraw/zinc/34/05/42/230340542.db2.gz XQJMJPXJRNXOMV-UHFFFAOYSA-N 1 2 286.332 -2.673 20 0 CAADLO COCCN(C)C(=O)C(=O)N1CC[NH+](CCOC)CC1 ZINC000459887981 230352604 /nfs/dbraw/zinc/35/26/04/230352604.db2.gz RGRTWSUSMPXGNJ-UHFFFAOYSA-N 1 2 287.360 -1.118 20 0 CAADLO C[C@@H](O)C[NH+]1CCN(C(=O)C(=O)N2CCOC[C@@H]2C)CC1 ZINC000460020597 230354880 /nfs/dbraw/zinc/35/48/80/230354880.db2.gz NKWAFZBXIFKIBK-NWDGAFQWSA-N 1 2 299.371 -1.241 20 0 CAADLO NC(=O)CC(=O)N1CC[C@@H](OCC[NH+]2CCOCC2)C1 ZINC000479019466 230354888 /nfs/dbraw/zinc/35/48/88/230354888.db2.gz QCACLVWGEBQGQZ-LLVKDONJSA-N 1 2 285.344 -1.189 20 0 CAADLO COCC[NH+]1CCN(C(=O)C(=O)N2CCC[C@H]2CO)CC1 ZINC000460032263 230355091 /nfs/dbraw/zinc/35/50/91/230355091.db2.gz VOWYMELMRTXMJI-LBPRGKRZSA-N 1 2 299.371 -1.240 20 0 CAADLO O=C(CO)N1CC[C@H](OCC[NH+]2CCOCC2)C1 ZINC000478994052 230355122 /nfs/dbraw/zinc/35/51/22/230355122.db2.gz WASBPUOFZUUSBR-NSHDSACASA-N 1 2 258.318 -1.072 20 0 CAADLO COCCN(C)S(=O)(=O)N1CC[N@H+](CCO)[C@H](C)C1 ZINC000494287259 230363713 /nfs/dbraw/zinc/36/37/13/230363713.db2.gz HUXRIYOCLNHGSR-LLVKDONJSA-N 1 2 295.405 -1.192 20 0 CAADLO COCCN(C)S(=O)(=O)N1CC[N@@H+](CCO)[C@H](C)C1 ZINC000494287259 230363714 /nfs/dbraw/zinc/36/37/14/230363714.db2.gz HUXRIYOCLNHGSR-LLVKDONJSA-N 1 2 295.405 -1.192 20 0 CAADLO CN(C)C(=O)O[C@@H]1CC[N@H+](CC(=O)N2CCNC(=O)C2)C1 ZINC000496355873 230364760 /nfs/dbraw/zinc/36/47/60/230364760.db2.gz DGMMIQJSHOBAAD-SNVBAGLBSA-N 1 2 298.343 -1.283 20 0 CAADLO CN(C)C(=O)O[C@@H]1CC[N@@H+](CC(=O)N2CCNC(=O)C2)C1 ZINC000496355873 230364761 /nfs/dbraw/zinc/36/47/61/230364761.db2.gz DGMMIQJSHOBAAD-SNVBAGLBSA-N 1 2 298.343 -1.283 20 0 CAADLO C[C@H]1OC(=O)N[C@H]1C(=O)N1CC[NH+](CCO)CC1 ZINC000496461516 230364900 /nfs/dbraw/zinc/36/49/00/230364900.db2.gz OCTXKZNWGXRGCG-RKDXNWHRSA-N 1 2 257.290 -1.380 20 0 CAADLO C[C@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCc2cnn[nH]2)C1 ZINC001196291172 782032530 /nfs/dbraw/zinc/03/25/30/782032530.db2.gz PTDSOFMPDOSVDX-JMJZKYOTSA-N 1 2 283.332 -1.721 20 0 CAADLO C[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCc2cnn[nH]2)C1 ZINC001196291172 782032534 /nfs/dbraw/zinc/03/25/34/782032534.db2.gz PTDSOFMPDOSVDX-JMJZKYOTSA-N 1 2 283.332 -1.721 20 0 CAADLO COC(=O)[C@@H]1CNC(=O)CN1CC[NH+]1CCOCC1 ZINC000447903985 260157763 /nfs/dbraw/zinc/15/77/63/260157763.db2.gz IXXYHMAMQUIPIO-JTQLQIEISA-N 1 2 271.317 -1.708 20 0 CAADLO COC(=O)[C@H]1CNC(=O)CN1CC[NH+]1CCOCC1 ZINC000447903986 260157931 /nfs/dbraw/zinc/15/79/31/260157931.db2.gz IXXYHMAMQUIPIO-SNVBAGLBSA-N 1 2 271.317 -1.708 20 0 CAADLO C[C@@H]1CC(=O)N[C@H](C(=O)N[C@H](CO)C[NH+]2CCOCC2)C1 ZINC000516862207 260193594 /nfs/dbraw/zinc/19/35/94/260193594.db2.gz PBFZZBBTZDAQAG-SRVKXCTJSA-N 1 2 299.371 -1.290 20 0 CAADLO CC(=O)N1CC(C(=O)N2CC[NH+](CCO)CC2)C1 ZINC000188636147 262330430 /nfs/dbraw/zinc/33/04/30/262330430.db2.gz CSLXRMIWOPEYFI-UHFFFAOYSA-N 1 2 255.318 -1.399 20 0 CAADLO C[C@@H]1C[N@H+](CCO)CCN1S(=O)(=O)N(C)C ZINC000518797146 262355052 /nfs/dbraw/zinc/35/50/52/262355052.db2.gz KYKPOJNYYOBJFP-SECBINFHSA-N 1 2 251.352 -1.209 20 0 CAADLO C[C@@H]1C[N@@H+](CCO)CCN1S(=O)(=O)N(C)C ZINC000518797146 262355054 /nfs/dbraw/zinc/35/50/54/262355054.db2.gz KYKPOJNYYOBJFP-SECBINFHSA-N 1 2 251.352 -1.209 20 0 CAADLO C[C@@H](CC(N)=O)C(=O)N1CCC[N@@H+]([C@@H](C)C(N)=O)CC1 ZINC001196752633 782040208 /nfs/dbraw/zinc/04/02/08/782040208.db2.gz GQSUYEHANBVVNU-UWVGGRQHSA-N 1 2 284.360 -1.094 20 0 CAADLO C[C@@H](CC(N)=O)C(=O)N1CCC[N@H+]([C@@H](C)C(N)=O)CC1 ZINC001196752633 782040215 /nfs/dbraw/zinc/04/02/15/782040215.db2.gz GQSUYEHANBVVNU-UWVGGRQHSA-N 1 2 284.360 -1.094 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC(=O)N(C)C)C1 ZINC001196739033 782040564 /nfs/dbraw/zinc/04/05/64/782040564.db2.gz IGEOWFVFWQXEBG-DJLDLDEBSA-N 1 2 286.332 -2.500 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)CC(=O)N(C)C)C1 ZINC001196739033 782040576 /nfs/dbraw/zinc/04/05/76/782040576.db2.gz IGEOWFVFWQXEBG-DJLDLDEBSA-N 1 2 286.332 -2.500 20 0 CAADLO CNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)NC(N)=O)C2 ZINC001110484624 782040758 /nfs/dbraw/zinc/04/07/58/782040758.db2.gz GZDZHTUFDDYXCT-JLIMGVALSA-N 1 2 297.359 -1.489 20 0 CAADLO CNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)NC(N)=O)C2 ZINC001110484624 782040765 /nfs/dbraw/zinc/04/07/65/782040765.db2.gz GZDZHTUFDDYXCT-JLIMGVALSA-N 1 2 297.359 -1.489 20 0 CAADLO CN(C)C(=O)CC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@H]1O ZINC001196739269 782040781 /nfs/dbraw/zinc/04/07/81/782040781.db2.gz KLZXCGKYVZRCHM-OPRDCNLKSA-N 1 2 298.343 -2.486 20 0 CAADLO CN(C)C(=O)CC(=O)N[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@H]1O ZINC001196739269 782040791 /nfs/dbraw/zinc/04/07/91/782040791.db2.gz KLZXCGKYVZRCHM-OPRDCNLKSA-N 1 2 298.343 -2.486 20 0 CAADLO COC(=O)C1(NC[C@@H](O)C[NH+]2CCOCC2)CC1 ZINC001251032424 782040808 /nfs/dbraw/zinc/04/08/08/782040808.db2.gz AAXHQXJMDLPNMY-SNVBAGLBSA-N 1 2 258.318 -1.025 20 0 CAADLO CNS(=O)(=O)[C@@H]1CC[N@H+](CC(=O)N2CCC2)C1 ZINC000533086851 269096245 /nfs/dbraw/zinc/09/62/45/269096245.db2.gz KJNCVMGPANBSQR-SECBINFHSA-N 1 2 261.347 -1.158 20 0 CAADLO CNS(=O)(=O)[C@@H]1CC[N@@H+](CC(=O)N2CCC2)C1 ZINC000533086851 269096246 /nfs/dbraw/zinc/09/62/46/269096246.db2.gz KJNCVMGPANBSQR-SECBINFHSA-N 1 2 261.347 -1.158 20 0 CAADLO CC(=O)N1CCN(C(=O)C[N@H+]2C[C@@H](C)O[C@@H](CO)C2)CC1 ZINC000230016302 269085975 /nfs/dbraw/zinc/08/59/75/269085975.db2.gz CJFUFNCPBSIPBW-DGCLKSJQSA-N 1 2 299.371 -1.241 20 0 CAADLO CC(=O)N1CCN(C(=O)C[N@@H+]2C[C@@H](C)O[C@@H](CO)C2)CC1 ZINC000230016302 269085977 /nfs/dbraw/zinc/08/59/77/269085977.db2.gz CJFUFNCPBSIPBW-DGCLKSJQSA-N 1 2 299.371 -1.241 20 0 CAADLO C[C@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@@H](CO)O1 ZINC000230011503 269086101 /nfs/dbraw/zinc/08/61/01/269086101.db2.gz QQYCQEBJWSHMJH-IUCAKERBSA-N 1 2 257.290 -1.380 20 0 CAADLO C[C@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@@H](CO)O1 ZINC000230011503 269086103 /nfs/dbraw/zinc/08/61/03/269086103.db2.gz QQYCQEBJWSHMJH-IUCAKERBSA-N 1 2 257.290 -1.380 20 0 CAADLO CC(=O)N1CCN(C(=O)C[N@@H+]2C[C@H](CO)O[C@@H](C)C2)CC1 ZINC000230016305 269086153 /nfs/dbraw/zinc/08/61/53/269086153.db2.gz CJFUFNCPBSIPBW-WCQYABFASA-N 1 2 299.371 -1.241 20 0 CAADLO CC(=O)N1CCN(C(=O)C[N@H+]2C[C@H](CO)O[C@@H](C)C2)CC1 ZINC000230016305 269086155 /nfs/dbraw/zinc/08/61/55/269086155.db2.gz CJFUFNCPBSIPBW-WCQYABFASA-N 1 2 299.371 -1.241 20 0 CAADLO C[C@@H]1C[N@H+](Cc2cc(=O)n(C)c(=O)n2C)C[C@@H](CO)O1 ZINC000230013660 269086223 /nfs/dbraw/zinc/08/62/23/269086223.db2.gz YODQUYBKQAISHI-KOLCDFICSA-N 1 2 283.328 -1.334 20 0 CAADLO C[C@@H]1C[N@@H+](Cc2cc(=O)n(C)c(=O)n2C)C[C@@H](CO)O1 ZINC000230013660 269086224 /nfs/dbraw/zinc/08/62/24/269086224.db2.gz YODQUYBKQAISHI-KOLCDFICSA-N 1 2 283.328 -1.334 20 0 CAADLO CCC(=O)N[C@@H]1CCCN(C(=O)CN2CC[NH2+]CC2=O)C1 ZINC000236797589 269086767 /nfs/dbraw/zinc/08/67/67/269086767.db2.gz NUURXZVOWSJKFI-LLVKDONJSA-N 1 2 296.371 -1.065 20 0 CAADLO CC(C)N1CC[C@@H](NC(=O)CN2CC[NH2+]CC2=O)C1=O ZINC000236829204 269086788 /nfs/dbraw/zinc/08/67/88/269086788.db2.gz GKTBJANDJLZWCH-SNVBAGLBSA-N 1 2 282.344 -1.456 20 0 CAADLO CNC(=O)[C@@H](C)CN(C)C(=O)CN1CC[NH2+]CC1=O ZINC000237150226 269086815 /nfs/dbraw/zinc/08/68/15/269086815.db2.gz UYKHFHLWORRPKJ-VIFPVBQESA-N 1 2 270.333 -1.741 20 0 CAADLO C[C@@H](O)C[C@@H](C)CNC(=O)CN1CC[NH2+]CC1=O ZINC000237384885 269086873 /nfs/dbraw/zinc/08/68/73/269086873.db2.gz HOKMQALQCZLSBF-NXEZZACHSA-N 1 2 257.334 -1.059 20 0 CAADLO NC(=O)c1cccc(CNC(=O)CN2CC[NH2+]CC2=O)c1 ZINC000237732884 269086891 /nfs/dbraw/zinc/08/68/91/269086891.db2.gz BEGBZYJKCBFXQN-UHFFFAOYSA-N 1 2 290.323 -1.167 20 0 CAADLO CCNC(=O)CN(CC)C(=O)CN1CC[NH2+]CC1=O ZINC000236881148 269086940 /nfs/dbraw/zinc/08/69/40/269086940.db2.gz SVHDNRNEENDDII-UHFFFAOYSA-N 1 2 270.333 -1.597 20 0 CAADLO COCC[NH+]1CCN(C(=O)CN2CCNCC2=O)CC1 ZINC000237112543 269086954 /nfs/dbraw/zinc/08/69/54/269086954.db2.gz CZXCPWBZOMLGAP-UHFFFAOYSA-N 1 2 284.360 -1.791 20 0 CAADLO CC[C@@H](C)NC(=O)CCNC(=O)CN1CC[NH2+]CC1=O ZINC000236869480 269087060 /nfs/dbraw/zinc/08/70/60/269087060.db2.gz ACWDZJCCMTWAIK-SNVBAGLBSA-N 1 2 284.360 -1.161 20 0 CAADLO C[C@H](O)C[C@H](C)CNC(=O)CN1CC[NH2+]CC1=O ZINC000237551838 269087096 /nfs/dbraw/zinc/08/70/96/269087096.db2.gz HOKMQALQCZLSBF-UWVGGRQHSA-N 1 2 257.334 -1.059 20 0 CAADLO O=C(CN1CC[NH2+]CC1=O)N1CCC[C@H]1C(=O)NC1CC1 ZINC000238080030 269087135 /nfs/dbraw/zinc/08/71/35/269087135.db2.gz LCNUSZCBZAIOPU-NSHDSACASA-N 1 2 294.355 -1.312 20 0 CAADLO O=C(CN1CC[NH2+]CC1=O)NCCNC(=O)c1ccco1 ZINC000238106886 269087222 /nfs/dbraw/zinc/08/72/22/269087222.db2.gz PVVZNGAMKFURHP-UHFFFAOYSA-N 1 2 294.311 -1.443 20 0 CAADLO O=C(CN1CC[NH2+]CC1=O)NCc1ccc(=O)[nH]c1 ZINC000238142672 269087228 /nfs/dbraw/zinc/08/72/28/269087228.db2.gz ZKRNQTIHGVVYPP-UHFFFAOYSA-N 1 2 264.285 -1.165 20 0 CAADLO CC(C)C(=O)NCCNC(=O)CN1CC[NH2+]CC1=O ZINC000236785913 269087353 /nfs/dbraw/zinc/08/73/53/269087353.db2.gz WGPQRDXSDNFZBX-UHFFFAOYSA-N 1 2 270.333 -1.693 20 0 CAADLO O=C(CN1CC[NH2+]CC1=O)NCCOCC1CC1 ZINC000238107010 269087432 /nfs/dbraw/zinc/08/74/32/269087432.db2.gz FTLDFOQEEXKVLY-UHFFFAOYSA-N 1 2 255.318 -1.039 20 0 CAADLO CCCN(CC(=O)NC)C(=O)CN1CC[NH2+]CC1=O ZINC000236884401 269087464 /nfs/dbraw/zinc/08/74/64/269087464.db2.gz RDDZGVRBVZZWNQ-UHFFFAOYSA-N 1 2 270.333 -1.597 20 0 CAADLO CC(C)(CNC(=O)CN1CC[NH2+]CC1=O)C(N)=O ZINC000236653982 269087487 /nfs/dbraw/zinc/08/74/87/269087487.db2.gz ZRBHEEZUNMZCMB-UHFFFAOYSA-N 1 2 256.306 -1.954 20 0 CAADLO C[C@@H]1CN(C(=O)C[NH+]2C[C@H](O)[C@@H](O)C2)C[C@H](C)O1 ZINC000235660007 269087496 /nfs/dbraw/zinc/08/74/96/269087496.db2.gz GIDXKLUXIGCUEY-VLEAKVRGSA-N 1 2 258.318 -1.340 20 0 CAADLO CC[C@H](C)NC(=O)CCNC(=O)CN1CC[NH2+]CC1=O ZINC000236972845 269087523 /nfs/dbraw/zinc/08/75/23/269087523.db2.gz ACWDZJCCMTWAIK-JTQLQIEISA-N 1 2 284.360 -1.161 20 0 CAADLO CCC(CC)(NC(=O)CN1CC[NH2+]CC1=O)C(N)=O ZINC000236913458 269087537 /nfs/dbraw/zinc/08/75/37/269087537.db2.gz MPSOTIOTNRHBSY-UHFFFAOYSA-N 1 2 270.333 -1.422 20 0 CAADLO CC[C@@H](C)NC(=O)[C@H](C)NC(=O)CN1CC[NH2+]CC1=O ZINC000236884781 269087547 /nfs/dbraw/zinc/08/75/47/269087547.db2.gz VUXSRHZXNWYDBF-ZJUUUORDSA-N 1 2 284.360 -1.162 20 0 CAADLO O=S(=O)(NCCC[NH+]1CCOCC1)N1CCOCC1 ZINC000243944371 269087620 /nfs/dbraw/zinc/08/76/20/269087620.db2.gz RXAOAUVADGYVAT-UHFFFAOYSA-N 1 2 293.389 -1.125 20 0 CAADLO CC[C@H](C)NC(=O)[C@@H](C)NC(=O)CN1CC[NH2+]CC1=O ZINC000236979624 269087625 /nfs/dbraw/zinc/08/76/25/269087625.db2.gz VUXSRHZXNWYDBF-VHSXEESVSA-N 1 2 284.360 -1.162 20 0 CAADLO O=C(CNC(=O)[C@H]1COCC[NH2+]1)NCC(F)(F)F ZINC000393714468 269088192 /nfs/dbraw/zinc/08/81/92/269088192.db2.gz JJMROTNVUUJZBX-ZCFIWIBFSA-N 1 2 269.223 -1.231 20 0 CAADLO CCOC(=O)CN(C)C(=O)C[NH+]1CC(C)(C(N)=O)C1 ZINC000517027536 269088498 /nfs/dbraw/zinc/08/84/98/269088498.db2.gz LKOSEJPSHAPIRD-UHFFFAOYSA-N 1 2 271.317 -1.185 20 0 CAADLO O=C(CNC(=O)c1ccon1)NCC[NH+]1CCOCC1 ZINC000517693271 269088704 /nfs/dbraw/zinc/08/87/04/269088704.db2.gz LICKLNXOCNHAQE-UHFFFAOYSA-N 1 2 282.300 -1.147 20 0 CAADLO O=C(CNC(=O)c1ccn[nH]1)NCC[NH+]1CCOCC1 ZINC000517695317 269088806 /nfs/dbraw/zinc/08/88/06/269088806.db2.gz YQBILMSVULOHRG-UHFFFAOYSA-N 1 2 281.316 -1.412 20 0 CAADLO CN(C[C@@H](O)C[NH+]1CCOCC1)c1cc(=O)n(C)cn1 ZINC000517041764 269089014 /nfs/dbraw/zinc/08/90/14/269089014.db2.gz YZRSXKRWXUVFCM-LLVKDONJSA-N 1 2 282.344 -1.090 20 0 CAADLO COCC[NH+]1CCN(C(=O)C2(S(N)(=O)=O)CC2)CC1 ZINC000521255547 269089477 /nfs/dbraw/zinc/08/94/77/269089477.db2.gz FSAWIGNLAGNCQI-UHFFFAOYSA-N 1 2 291.373 -1.402 20 0 CAADLO C[C@@H]1C[N@H+](CCNC(=O)Cn2ccc(=O)[nH]c2=O)CCO1 ZINC000522267843 269090003 /nfs/dbraw/zinc/09/00/03/269090003.db2.gz XXHUMAOLWONMJF-SNVBAGLBSA-N 1 2 296.327 -1.214 20 0 CAADLO C[C@@H]1C[N@@H+](CCNC(=O)Cn2ccc(=O)[nH]c2=O)CCO1 ZINC000522267843 269090004 /nfs/dbraw/zinc/09/00/04/269090004.db2.gz XXHUMAOLWONMJF-SNVBAGLBSA-N 1 2 296.327 -1.214 20 0 CAADLO O=C(NCCN1C(=O)CNC1=O)NCC[NH+]1CCOCC1 ZINC000524317763 269090009 /nfs/dbraw/zinc/09/00/09/269090009.db2.gz IYUNVJRPHPYZQC-UHFFFAOYSA-N 1 2 299.331 -1.830 20 0 CAADLO C[C@H]1C[N@H+](CCNC(=O)CCNS(C)(=O)=O)CCO1 ZINC000523440980 269090161 /nfs/dbraw/zinc/09/01/61/269090161.db2.gz QATOBEMULMWPNC-JTQLQIEISA-N 1 2 293.389 -1.237 20 0 CAADLO C[C@H]1C[N@@H+](CCNC(=O)CCNS(C)(=O)=O)CCO1 ZINC000523440980 269090162 /nfs/dbraw/zinc/09/01/62/269090162.db2.gz QATOBEMULMWPNC-JTQLQIEISA-N 1 2 293.389 -1.237 20 0 CAADLO CN1C(=O)C[C@@H]([N@@H+]2CC[C@H](NS(C)(=O)=O)C2)C1=O ZINC000522628605 269090359 /nfs/dbraw/zinc/09/03/59/269090359.db2.gz ULWXXOHLZBSZET-JGVFFNPUSA-N 1 2 275.330 -1.633 20 0 CAADLO CN1C(=O)C[C@@H]([N@H+]2CC[C@H](NS(C)(=O)=O)C2)C1=O ZINC000522628605 269090361 /nfs/dbraw/zinc/09/03/61/269090361.db2.gz ULWXXOHLZBSZET-JGVFFNPUSA-N 1 2 275.330 -1.633 20 0 CAADLO CN1C(=O)C[C@H]([N@@H+]2CC[C@H](NS(C)(=O)=O)C2)C1=O ZINC000522628607 269090388 /nfs/dbraw/zinc/09/03/88/269090388.db2.gz ULWXXOHLZBSZET-YUMQZZPRSA-N 1 2 275.330 -1.633 20 0 CAADLO CN1C(=O)C[C@H]([N@H+]2CC[C@H](NS(C)(=O)=O)C2)C1=O ZINC000522628607 269090390 /nfs/dbraw/zinc/09/03/90/269090390.db2.gz ULWXXOHLZBSZET-YUMQZZPRSA-N 1 2 275.330 -1.633 20 0 CAADLO C[C@@H](NS(C)(=O)=O)C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000522313838 269090428 /nfs/dbraw/zinc/09/04/28/269090428.db2.gz KKUOYDQYWYAREY-NXEZZACHSA-N 1 2 293.389 -1.239 20 0 CAADLO C[C@@H](NS(C)(=O)=O)C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000522313838 269090429 /nfs/dbraw/zinc/09/04/29/269090429.db2.gz KKUOYDQYWYAREY-NXEZZACHSA-N 1 2 293.389 -1.239 20 0 CAADLO Cn1c(=O)ccn(CC(=O)N2CC(n3cc[nH+]c3)C2)c1=O ZINC000522259050 269090456 /nfs/dbraw/zinc/09/04/56/269090456.db2.gz FLVVXWUMFJMPKG-UHFFFAOYSA-N 1 2 289.295 -1.173 20 0 CAADLO Cn1cc(C[C@@H](O)C(=O)NC[C@@H]2C[NH+]3CCN2CC3)cn1 ZINC000527313253 269090694 /nfs/dbraw/zinc/09/06/94/269090694.db2.gz IUVINROHDAVOEK-CHWSQXEVSA-N 1 2 293.371 -1.561 20 0 CAADLO Cn1cc(C[C@@H](O)C(=O)NC[C@H]2C[NH+]3CCN2CC3)cn1 ZINC000527313255 269090723 /nfs/dbraw/zinc/09/07/23/269090723.db2.gz IUVINROHDAVOEK-QWHCGFSZSA-N 1 2 293.371 -1.561 20 0 CAADLO CNC(=O)NC[C@H]1C[N@H+](C[C@H](O)Cn2cccn2)CCO1 ZINC000528621547 269091494 /nfs/dbraw/zinc/09/14/94/269091494.db2.gz FIGHYSBUAPONOU-RYUDHWBXSA-N 1 2 297.359 -1.126 20 0 CAADLO CNC(=O)NC[C@H]1C[N@@H+](C[C@H](O)Cn2cccn2)CCO1 ZINC000528621547 269091498 /nfs/dbraw/zinc/09/14/98/269091498.db2.gz FIGHYSBUAPONOU-RYUDHWBXSA-N 1 2 297.359 -1.126 20 0 CAADLO C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNS(N)(=O)=O ZINC000528481013 269091907 /nfs/dbraw/zinc/09/19/07/269091907.db2.gz JZDSXGVNOPJEMX-SNVBAGLBSA-N 1 2 279.362 -1.605 20 0 CAADLO C[N@H+]1C2(CCC2)COC[C@]1(CO)CNS(N)(=O)=O ZINC000528481013 269091908 /nfs/dbraw/zinc/09/19/08/269091908.db2.gz JZDSXGVNOPJEMX-SNVBAGLBSA-N 1 2 279.362 -1.605 20 0 CAADLO CNC(=O)NC[C@H]1C[N@H+](C[C@@H](O)Cn2cccn2)CCO1 ZINC000528621543 269091991 /nfs/dbraw/zinc/09/19/91/269091991.db2.gz FIGHYSBUAPONOU-NEPJUHHUSA-N 1 2 297.359 -1.126 20 0 CAADLO CNC(=O)NC[C@H]1C[N@@H+](C[C@@H](O)Cn2cccn2)CCO1 ZINC000528621543 269091992 /nfs/dbraw/zinc/09/19/92/269091992.db2.gz FIGHYSBUAPONOU-NEPJUHHUSA-N 1 2 297.359 -1.126 20 0 CAADLO O=C(C[N@@H+]1CC[C@H]2CC[C@@H](C1)[S@@]2=O)N1CCNC(=O)C1 ZINC000528781608 269092238 /nfs/dbraw/zinc/09/22/38/269092238.db2.gz IBTGCVHMJQIRIK-QZXWKGOOSA-N 1 2 299.396 -1.070 20 0 CAADLO O=C(C[N@H+]1CC[C@H]2CC[C@@H](C1)[S@@]2=O)N1CCNC(=O)C1 ZINC000528781608 269092241 /nfs/dbraw/zinc/09/22/41/269092241.db2.gz IBTGCVHMJQIRIK-QZXWKGOOSA-N 1 2 299.396 -1.070 20 0 CAADLO CNC(=O)NC[C@@H]1C[N@H+](CCc2cn[nH]n2)CCO1 ZINC000528624393 269092375 /nfs/dbraw/zinc/09/23/75/269092375.db2.gz VEGWBSVBZJSFSE-SNVBAGLBSA-N 1 2 268.321 -1.023 20 0 CAADLO CNC(=O)NC[C@@H]1C[N@@H+](CCc2cn[nH]n2)CCO1 ZINC000528624393 269092377 /nfs/dbraw/zinc/09/23/77/269092377.db2.gz VEGWBSVBZJSFSE-SNVBAGLBSA-N 1 2 268.321 -1.023 20 0 CAADLO O=C(C[N@@H+]1CC[C@H]2CC[C@@H](C1)[S@]2=O)N1CCNC(=O)C1 ZINC000528781618 269092601 /nfs/dbraw/zinc/09/26/01/269092601.db2.gz IBTGCVHMJQIRIK-NLQQUQSOSA-N 1 2 299.396 -1.070 20 0 CAADLO O=C(C[N@H+]1CC[C@H]2CC[C@@H](C1)[S@]2=O)N1CCNC(=O)C1 ZINC000528781618 269092602 /nfs/dbraw/zinc/09/26/02/269092602.db2.gz IBTGCVHMJQIRIK-NLQQUQSOSA-N 1 2 299.396 -1.070 20 0 CAADLO CNC(=O)NC[C@@H]1CN(CC[NH+]2CCOCC2)CCO1 ZINC000528622770 269092671 /nfs/dbraw/zinc/09/26/71/269092671.db2.gz HQZIUJYAOXZNMD-GFCCVEGCSA-N 1 2 286.376 -1.052 20 0 CAADLO CNC(=O)NC[C@@H]1C[N@H+](CCN2CCOCC2)CCO1 ZINC000528622770 269092673 /nfs/dbraw/zinc/09/26/73/269092673.db2.gz HQZIUJYAOXZNMD-GFCCVEGCSA-N 1 2 286.376 -1.052 20 0 CAADLO CNC(=O)NC[C@@H]1C[N@@H+](CCN2CCOCC2)CCO1 ZINC000528622770 269092674 /nfs/dbraw/zinc/09/26/74/269092674.db2.gz HQZIUJYAOXZNMD-GFCCVEGCSA-N 1 2 286.376 -1.052 20 0 CAADLO CNC(=O)NC[C@H]1C[N@H+](CCN2C(=O)CCC2=O)CCO1 ZINC000528630748 269092758 /nfs/dbraw/zinc/09/27/58/269092758.db2.gz VMXNSBMHTPDSSI-JTQLQIEISA-N 1 2 298.343 -1.235 20 0 CAADLO CNC(=O)NC[C@H]1C[N@@H+](CCN2C(=O)CCC2=O)CCO1 ZINC000528630748 269092759 /nfs/dbraw/zinc/09/27/59/269092759.db2.gz VMXNSBMHTPDSSI-JTQLQIEISA-N 1 2 298.343 -1.235 20 0 CAADLO CNC(=O)NC[C@H]1C[N@H+](C[C@](C)(O)C(C)=O)CCO1 ZINC000528625427 269092763 /nfs/dbraw/zinc/09/27/63/269092763.db2.gz YMANSGRZTFEZPN-JQWIXIFHSA-N 1 2 273.333 -1.044 20 0 CAADLO CNC(=O)NC[C@H]1C[N@@H+](C[C@](C)(O)C(C)=O)CCO1 ZINC000528625427 269092764 /nfs/dbraw/zinc/09/27/64/269092764.db2.gz YMANSGRZTFEZPN-JQWIXIFHSA-N 1 2 273.333 -1.044 20 0 CAADLO C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)[C@@H]1CC(=O)N1 ZINC000529749308 269094384 /nfs/dbraw/zinc/09/43/84/269094384.db2.gz BSDKHVZVFXZEOT-IINYFYTJSA-N 1 2 297.355 -1.393 20 0 CAADLO C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)[C@@H]1CC(=O)N1 ZINC000529749308 269094385 /nfs/dbraw/zinc/09/43/85/269094385.db2.gz BSDKHVZVFXZEOT-IINYFYTJSA-N 1 2 297.355 -1.393 20 0 CAADLO CN(C[C@H](O)C[NH+]1CCOCC1)c1nccn2nnnc12 ZINC000530717293 269094658 /nfs/dbraw/zinc/09/46/58/269094658.db2.gz AXULNWUGGPQFLH-JTQLQIEISA-N 1 2 293.331 -1.351 20 0 CAADLO COC[C@@](C)(O)C(=O)NCC[NH+]1CCN(C(C)=O)CC1 ZINC000530782978 269094781 /nfs/dbraw/zinc/09/47/81/269094781.db2.gz OCHKBNZVJPTROM-CYBMUJFWSA-N 1 2 287.360 -1.336 20 0 CAADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)CNC(=O)C1CC1 ZINC000530720313 269094802 /nfs/dbraw/zinc/09/48/02/269094802.db2.gz XGPLQGQTTKYBPC-GFCCVEGCSA-N 1 2 299.371 -1.336 20 0 CAADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)CNC(=O)C1CC1 ZINC000530720318 269094811 /nfs/dbraw/zinc/09/48/11/269094811.db2.gz XGPLQGQTTKYBPC-LBPRGKRZSA-N 1 2 299.371 -1.336 20 0 CAADLO NC(=O)C1(C(=O)N2CC[NH+](CCO)CC2)CCC1 ZINC000530784940 269094935 /nfs/dbraw/zinc/09/49/35/269094935.db2.gz WVWPPEGULUXQMJ-UHFFFAOYSA-N 1 2 255.318 -1.222 20 0 CAADLO O=C1C[C@H]([N@@H+]2CCN3C(=O)NC[C@H]3C2)C(=O)N1C1CC1 ZINC000531444012 269095114 /nfs/dbraw/zinc/09/51/14/269095114.db2.gz ZDUXIUROGZCSEY-UWVGGRQHSA-N 1 2 278.312 -1.014 20 0 CAADLO O=C1C[C@H]([N@H+]2CCN3C(=O)NC[C@H]3C2)C(=O)N1C1CC1 ZINC000531444012 269095115 /nfs/dbraw/zinc/09/51/15/269095115.db2.gz ZDUXIUROGZCSEY-UWVGGRQHSA-N 1 2 278.312 -1.014 20 0 CAADLO Cn1nnnc1N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000531189299 269095145 /nfs/dbraw/zinc/09/51/45/269095145.db2.gz XBXCTRZGBTZSIV-UHFFFAOYSA-N 1 2 253.310 -1.404 20 0 CAADLO CN1C(=O)C[C@@H]([N@@H+]2CCN3C(=O)NC[C@@H]3C2)C1=O ZINC000531443091 269095166 /nfs/dbraw/zinc/09/51/66/269095166.db2.gz BIJQEPGRHCBNQI-HTQZYQBOSA-N 1 2 252.274 -1.547 20 0 CAADLO CN1C(=O)C[C@@H]([N@H+]2CCN3C(=O)NC[C@@H]3C2)C1=O ZINC000531443091 269095168 /nfs/dbraw/zinc/09/51/68/269095168.db2.gz BIJQEPGRHCBNQI-HTQZYQBOSA-N 1 2 252.274 -1.547 20 0 CAADLO CNC(=O)C[NH+]1CCN(c2nccn3nnnc23)CC1 ZINC000531350060 269095357 /nfs/dbraw/zinc/09/53/57/269095357.db2.gz ASGOTXOUVJAJJK-UHFFFAOYSA-N 1 2 276.304 -1.613 20 0 CAADLO O=C1C[C@@H]([N@@H+]2CCN3C(=O)NC[C@@H]3C2)C(=O)N1C1CC1 ZINC000531444011 269095378 /nfs/dbraw/zinc/09/53/78/269095378.db2.gz ZDUXIUROGZCSEY-NXEZZACHSA-N 1 2 278.312 -1.014 20 0 CAADLO O=C1C[C@@H]([N@H+]2CCN3C(=O)NC[C@@H]3C2)C(=O)N1C1CC1 ZINC000531444011 269095379 /nfs/dbraw/zinc/09/53/79/269095379.db2.gz ZDUXIUROGZCSEY-NXEZZACHSA-N 1 2 278.312 -1.014 20 0 CAADLO COC[C@@](C)(O)C(=O)N1CC[NH+](CCn2cncn2)CC1 ZINC000531497520 269095764 /nfs/dbraw/zinc/09/57/64/269095764.db2.gz DIAWWENALPOJGI-CYBMUJFWSA-N 1 2 297.359 -1.180 20 0 CAADLO Cn1nnnc1C[N@H+](C)CCC(=O)N1CCOCC1 ZINC000531816286 269095916 /nfs/dbraw/zinc/09/59/16/269095916.db2.gz FMCIIPAOTBBHSC-UHFFFAOYSA-N 1 2 268.321 -1.109 20 0 CAADLO Cn1nnnc1C[N@@H+](C)CCC(=O)N1CCOCC1 ZINC000531816286 269095917 /nfs/dbraw/zinc/09/59/17/269095917.db2.gz FMCIIPAOTBBHSC-UHFFFAOYSA-N 1 2 268.321 -1.109 20 0 CAADLO COC[C@](C)(O)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000531497826 269096022 /nfs/dbraw/zinc/09/60/22/269096022.db2.gz YJHQHXPMEWWSSH-YPMHNXCESA-N 1 2 290.360 -1.465 20 0 CAADLO CNS(=O)(=O)[C@H]1CC[N@H+](CC(=O)N2CCNC2=O)C1 ZINC000532757790 269096058 /nfs/dbraw/zinc/09/60/58/269096058.db2.gz HDQIINYTLDKXBJ-QMMMGPOBSA-N 1 2 290.345 -1.838 20 0 CAADLO CNS(=O)(=O)[C@H]1CC[N@@H+](CC(=O)N2CCNC2=O)C1 ZINC000532757790 269096059 /nfs/dbraw/zinc/09/60/59/269096059.db2.gz HDQIINYTLDKXBJ-QMMMGPOBSA-N 1 2 290.345 -1.838 20 0 CAADLO CNS(=O)(=O)[C@H]1CC[N@@H+]([C@@H]2CCCNC2=O)C1 ZINC000533087128 269096161 /nfs/dbraw/zinc/09/61/61/269096161.db2.gz XXMVNFJGYNLMBC-DTWKUNHWSA-N 1 2 261.347 -1.112 20 0 CAADLO CNS(=O)(=O)[C@H]1CC[N@H+]([C@@H]2CCCNC2=O)C1 ZINC000533087128 269096162 /nfs/dbraw/zinc/09/61/62/269096162.db2.gz XXMVNFJGYNLMBC-DTWKUNHWSA-N 1 2 261.347 -1.112 20 0 CAADLO O=C(CN1CCCNC1=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000533019048 269096201 /nfs/dbraw/zinc/09/62/01/269096201.db2.gz QKEATMPMGIQOFT-LLVKDONJSA-N 1 2 281.360 -1.482 20 0 CAADLO COC(=O)CNC(=O)C[N@@H+]1CCC[C@H](N2CCNC2=O)C1 ZINC000532662046 269096219 /nfs/dbraw/zinc/09/62/19/269096219.db2.gz CKMLVTJIYHKJTG-JTQLQIEISA-N 1 2 298.343 -1.235 20 0 CAADLO COC(=O)CNC(=O)C[N@H+]1CCC[C@H](N2CCNC2=O)C1 ZINC000532662046 269096220 /nfs/dbraw/zinc/09/62/20/269096220.db2.gz CKMLVTJIYHKJTG-JTQLQIEISA-N 1 2 298.343 -1.235 20 0 CAADLO CNS(=O)(=O)[C@@H]1CC[N@H+](CC(=O)N2CCOCC2)C1 ZINC000533086565 269096235 /nfs/dbraw/zinc/09/62/35/269096235.db2.gz BLRBMZSCAGPOET-SNVBAGLBSA-N 1 2 291.373 -1.531 20 0 CAADLO CNS(=O)(=O)[C@@H]1CC[N@@H+](CC(=O)N2CCOCC2)C1 ZINC000533086565 269096237 /nfs/dbraw/zinc/09/62/37/269096237.db2.gz BLRBMZSCAGPOET-SNVBAGLBSA-N 1 2 291.373 -1.531 20 0 CAADLO CNS(=O)(=O)[C@@H]1CCC[N@H+](CC(=O)NC(N)=O)C1 ZINC000533060569 269096309 /nfs/dbraw/zinc/09/63/09/269096309.db2.gz BTYXIYWMYUMDGO-SSDOTTSWSA-N 1 2 278.334 -1.805 20 0 CAADLO CNS(=O)(=O)[C@@H]1CCC[N@@H+](CC(=O)NC(N)=O)C1 ZINC000533060569 269096311 /nfs/dbraw/zinc/09/63/11/269096311.db2.gz BTYXIYWMYUMDGO-SSDOTTSWSA-N 1 2 278.334 -1.805 20 0 CAADLO C[C@](O)(CNC(=O)c1nnc[nH]1)C[NH+]1CCOCC1 ZINC000532948673 269096328 /nfs/dbraw/zinc/09/63/28/269096328.db2.gz DVHGOXHPLCJRLQ-NSHDSACASA-N 1 2 269.305 -1.382 20 0 CAADLO C[C@](O)(CNC(=O)c1ncn[nH]1)C[NH+]1CCOCC1 ZINC000532948673 269096330 /nfs/dbraw/zinc/09/63/30/269096330.db2.gz DVHGOXHPLCJRLQ-NSHDSACASA-N 1 2 269.305 -1.382 20 0 CAADLO O=C(CNC(=O)C1CC1)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000533019307 269096356 /nfs/dbraw/zinc/09/63/56/269096356.db2.gz UOANHRMIKWSUDP-LLVKDONJSA-N 1 2 266.345 -1.371 20 0 CAADLO CNS(=O)(=O)[C@H]1CC[N@H+](CC(=O)N2CCC2)C1 ZINC000533086852 269096361 /nfs/dbraw/zinc/09/63/61/269096361.db2.gz KJNCVMGPANBSQR-VIFPVBQESA-N 1 2 261.347 -1.158 20 0 CAADLO CNS(=O)(=O)[C@H]1CC[N@@H+](CC(=O)N2CCC2)C1 ZINC000533086852 269096363 /nfs/dbraw/zinc/09/63/63/269096363.db2.gz KJNCVMGPANBSQR-VIFPVBQESA-N 1 2 261.347 -1.158 20 0 CAADLO C[C@H](CC(N)=O)C(=O)N1CCC[N@@H+]([C@H]2CCNC2=O)CC1 ZINC001196753113 782041640 /nfs/dbraw/zinc/04/16/40/782041640.db2.gz KRJCUSRCWOXGPB-MNOVXSKESA-N 1 2 296.371 -1.079 20 0 CAADLO C[C@H](CC(N)=O)C(=O)N1CCC[N@H+]([C@H]2CCNC2=O)CC1 ZINC001196753113 782041650 /nfs/dbraw/zinc/04/16/50/782041650.db2.gz KRJCUSRCWOXGPB-MNOVXSKESA-N 1 2 296.371 -1.079 20 0 CAADLO CCCNC(=O)[C@H](C)[N@@H+]1CCCN(C(=O)C(N)=O)CC1 ZINC001196984858 782043511 /nfs/dbraw/zinc/04/35/11/782043511.db2.gz SZDHGYUXVRXVCZ-JTQLQIEISA-N 1 2 284.360 -1.079 20 0 CAADLO CCCNC(=O)[C@H](C)[N@H+]1CCCN(C(=O)C(N)=O)CC1 ZINC001196984858 782043523 /nfs/dbraw/zinc/04/35/23/782043523.db2.gz SZDHGYUXVRXVCZ-JTQLQIEISA-N 1 2 284.360 -1.079 20 0 CAADLO NC(=O)C(=O)N1CCC[N@H+](CCNC(=O)C2CC2)CC1 ZINC001196976980 782043448 /nfs/dbraw/zinc/04/34/48/782043448.db2.gz IPELVDRNXASBJT-UHFFFAOYSA-N 1 2 282.344 -1.468 20 0 CAADLO NC(=O)C(=O)N1CCC[N@@H+](CCNC(=O)C2CC2)CC1 ZINC001196976980 782043458 /nfs/dbraw/zinc/04/34/58/782043458.db2.gz IPELVDRNXASBJT-UHFFFAOYSA-N 1 2 282.344 -1.468 20 0 CAADLO CC(C)NC(=O)NCC[N@@H+]1CCCN(C(=O)C(N)=O)CC1 ZINC001196977605 782044690 /nfs/dbraw/zinc/04/46/90/782044690.db2.gz PYLOQBVDEJECBX-UHFFFAOYSA-N 1 2 299.375 -1.286 20 0 CAADLO CC(C)NC(=O)NCC[N@H+]1CCCN(C(=O)C(N)=O)CC1 ZINC001196977605 782044699 /nfs/dbraw/zinc/04/46/99/782044699.db2.gz PYLOQBVDEJECBX-UHFFFAOYSA-N 1 2 299.375 -1.286 20 0 CAADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H]2CNC(=O)N2)CC1 ZINC001196962799 782044898 /nfs/dbraw/zinc/04/48/98/782044898.db2.gz JKUNLEVSDHKCCX-SNVBAGLBSA-N 1 2 297.359 -1.662 20 0 CAADLO CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H]2CNC(=O)N2)CC1 ZINC001196962799 782044907 /nfs/dbraw/zinc/04/49/07/782044907.db2.gz JKUNLEVSDHKCCX-SNVBAGLBSA-N 1 2 297.359 -1.662 20 0 CAADLO COC[C@@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2nnc[nH]2)C1 ZINC001197041860 782046016 /nfs/dbraw/zinc/04/60/16/782046016.db2.gz QEBVLQAKOGYTNM-DJLDLDEBSA-N 1 2 285.304 -2.413 20 0 CAADLO COC[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2nnc[nH]2)C1 ZINC001197041860 782046027 /nfs/dbraw/zinc/04/60/27/782046027.db2.gz QEBVLQAKOGYTNM-DJLDLDEBSA-N 1 2 285.304 -2.413 20 0 CAADLO COC[C@@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ncn[nH]2)C1 ZINC001197041860 782046037 /nfs/dbraw/zinc/04/60/37/782046037.db2.gz QEBVLQAKOGYTNM-DJLDLDEBSA-N 1 2 285.304 -2.413 20 0 CAADLO COC[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ncn[nH]2)C1 ZINC001197041860 782046049 /nfs/dbraw/zinc/04/60/49/782046049.db2.gz QEBVLQAKOGYTNM-DJLDLDEBSA-N 1 2 285.304 -2.413 20 0 CAADLO C[C@@H](O)CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2nc[nH]n2)C1 ZINC001197042136 782046361 /nfs/dbraw/zinc/04/63/61/782046361.db2.gz TVXYGKQNYLBZTR-OPRDCNLKSA-N 1 2 283.332 -1.259 20 0 CAADLO C[C@@H](O)CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2nc[nH]n2)C1 ZINC001197042136 782046367 /nfs/dbraw/zinc/04/63/67/782046367.db2.gz TVXYGKQNYLBZTR-OPRDCNLKSA-N 1 2 283.332 -1.259 20 0 CAADLO CCN(CC)C(=O)[C@H](C)[N@@H+]1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC000152995307 276319486 /nfs/dbraw/zinc/31/94/86/276319486.db2.gz YCHUOGDJCYBKGC-WDEREUQCSA-N 1 2 296.371 -1.114 20 0 CAADLO CCN(CC)C(=O)[C@H](C)[N@H+]1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC000152995307 276319487 /nfs/dbraw/zinc/31/94/87/276319487.db2.gz YCHUOGDJCYBKGC-WDEREUQCSA-N 1 2 296.371 -1.114 20 0 CAADLO CC[N@@H+]1CCOC[C@H]1C(=O)N1CCO[C@@H](C(=O)NC)C1 ZINC000408175043 276389056 /nfs/dbraw/zinc/38/90/56/276389056.db2.gz WTZZTMKOLJRMQI-WDEREUQCSA-N 1 2 285.344 -1.320 20 0 CAADLO CC[N@H+]1CCOC[C@H]1C(=O)N1CCO[C@@H](C(=O)NC)C1 ZINC000408175043 276389058 /nfs/dbraw/zinc/38/90/58/276389058.db2.gz WTZZTMKOLJRMQI-WDEREUQCSA-N 1 2 285.344 -1.320 20 0 CAADLO CC(=O)[C@@](C)(O)C[NH+]1CCN(S(C)(=O)=O)CC1 ZINC000408198948 277098054 /nfs/dbraw/zinc/09/80/54/277098054.db2.gz PKZFECQIWHCVNC-JTQLQIEISA-N 1 2 264.347 -1.096 20 0 CAADLO COC(=O)[C@@H]1CNC(=O)CN1Cc1c[nH+]cn1C ZINC000447921392 277101897 /nfs/dbraw/zinc/10/18/97/277101897.db2.gz KKNMFQOZQJSNOZ-VIFPVBQESA-N 1 2 252.274 -1.107 20 0 CAADLO CC(C)NC(=O)C(=O)N1CC[NH+]([C@H]2COC[C@@H]2O)CC1 ZINC000361288789 277647360 /nfs/dbraw/zinc/64/73/60/277647360.db2.gz OETIUSDAJSROSR-QWRGUYRKSA-N 1 2 285.344 -1.585 20 0 CAADLO CC(=O)[C@@](C)(O)C[N@@H+]1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC000408199728 278233190 /nfs/dbraw/zinc/23/31/90/278233190.db2.gz WCPPDRVXEQNUOW-CABZTGNLSA-N 1 2 269.301 -2.031 20 0 CAADLO CC(=O)[C@@](C)(O)C[N@H+]1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC000408199728 278233192 /nfs/dbraw/zinc/23/31/92/278233192.db2.gz WCPPDRVXEQNUOW-CABZTGNLSA-N 1 2 269.301 -2.031 20 0 CAADLO CC(=O)[C@@](C)(O)C[NH+]1CCN(S(N)(=O)=O)CC1 ZINC000408196463 278233319 /nfs/dbraw/zinc/23/33/19/278233319.db2.gz CKZRPEFHFQHVPZ-VIFPVBQESA-N 1 2 265.335 -1.853 20 0 CAADLO CC(=O)[C@](C)(O)C[NH+]1CCN(S(C)(=O)=O)CC1 ZINC000408198949 278238715 /nfs/dbraw/zinc/23/87/15/278238715.db2.gz PKZFECQIWHCVNC-SNVBAGLBSA-N 1 2 264.347 -1.096 20 0 CAADLO Cc1nc(N2CCN3C(=O)NC(=O)[C@H]3C2)nc(N(C)C)[nH+]1 ZINC000351883791 279087773 /nfs/dbraw/zinc/08/77/73/279087773.db2.gz CJIJYCWQJTZURE-MRVPVSSYSA-N 1 2 291.315 -1.014 20 0 CAADLO Cc1nc(N(C)C)nc(N2CCN3C(=O)NC(=O)[C@H]3C2)[nH+]1 ZINC000351883791 279087774 /nfs/dbraw/zinc/08/77/74/279087774.db2.gz CJIJYCWQJTZURE-MRVPVSSYSA-N 1 2 291.315 -1.014 20 0 CAADLO C[C@@](O)(C[N@@H+]1CCN2C(=O)C(=O)NC[C@@H]2C1)C(F)(F)F ZINC000369070959 279150581 /nfs/dbraw/zinc/15/05/81/279150581.db2.gz KYLVTMIDDVDLHI-GMSGAONNSA-N 1 2 295.261 -1.058 20 0 CAADLO C[C@@](O)(C[N@H+]1CCN2C(=O)C(=O)NC[C@@H]2C1)C(F)(F)F ZINC000369070959 279150582 /nfs/dbraw/zinc/15/05/82/279150582.db2.gz KYLVTMIDDVDLHI-GMSGAONNSA-N 1 2 295.261 -1.058 20 0 CAADLO Cc1cc(N2CCN3C(=O)C(=O)NC[C@@H]3C2)nc[nH+]1 ZINC000131159451 280560904 /nfs/dbraw/zinc/56/09/04/280560904.db2.gz HRIAXWYRNLNJEF-SECBINFHSA-N 1 2 261.285 -1.068 20 0 CAADLO COC1(OC)CC[N@H+](Cc2nc(=O)n(C)[nH]2)C[C@@H]1O ZINC001197316174 782052536 /nfs/dbraw/zinc/05/25/36/782052536.db2.gz MSMBJXRLPXCMAE-QMMMGPOBSA-N 1 2 272.305 -1.336 20 0 CAADLO COC1(OC)CC[N@@H+](Cc2nc(=O)n(C)[nH]2)C[C@@H]1O ZINC001197316174 782052542 /nfs/dbraw/zinc/05/25/42/782052542.db2.gz MSMBJXRLPXCMAE-QMMMGPOBSA-N 1 2 272.305 -1.336 20 0 CAADLO CC[C@H]1C(=O)NCC[N@H+]1Cc1cn(C)c(=O)n(C)c1=O ZINC000093050572 281034610 /nfs/dbraw/zinc/03/46/10/281034610.db2.gz FUPFCPFPFJYZSX-JTQLQIEISA-N 1 2 280.328 -1.206 20 0 CAADLO CC[C@H]1C(=O)NCC[N@@H+]1Cc1cn(C)c(=O)n(C)c1=O ZINC000093050572 281034612 /nfs/dbraw/zinc/03/46/12/281034612.db2.gz FUPFCPFPFJYZSX-JTQLQIEISA-N 1 2 280.328 -1.206 20 0 CAADLO C[C@@H]1COCCN1CC[N@@H+]1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC000329933330 288344757 /nfs/dbraw/zinc/34/47/57/288344757.db2.gz JDYQHKZKTGHGOM-NEPJUHHUSA-N 1 2 296.371 -1.650 20 0 CAADLO C[C@@H]1COCCN1CC[N@H+]1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC000329933330 288344758 /nfs/dbraw/zinc/34/47/58/288344758.db2.gz JDYQHKZKTGHGOM-NEPJUHHUSA-N 1 2 296.371 -1.650 20 0 CAADLO C[C@@H]1CS(=O)(=O)CCN1C(=O)CN1CC[NH2+]CC1=O ZINC000357942966 288402882 /nfs/dbraw/zinc/40/28/82/288402882.db2.gz VCFULNKJLZTJSH-SECBINFHSA-N 1 2 289.357 -1.936 20 0 CAADLO C[NH+](C)CCN1C[C@@H](C(=O)NCc2n[nH]c(=O)[nH]2)CC1=O ZINC000443515584 289157072 /nfs/dbraw/zinc/15/70/72/289157072.db2.gz BRLVOLZGHPYMQG-QMMMGPOBSA-N 1 2 296.331 -1.463 20 0 CAADLO CN(C)S(=O)(=O)CC[N@@H+]1C[C@H]2CCS(=O)(=O)[C@@H]2C1 ZINC000352993777 289244525 /nfs/dbraw/zinc/24/45/25/289244525.db2.gz ZAICAEJSHYHZCW-NXEZZACHSA-N 1 2 296.414 -1.003 20 0 CAADLO CN(C)S(=O)(=O)CC[N@H+]1C[C@H]2CCS(=O)(=O)[C@@H]2C1 ZINC000352993777 289244527 /nfs/dbraw/zinc/24/45/27/289244527.db2.gz ZAICAEJSHYHZCW-NXEZZACHSA-N 1 2 296.414 -1.003 20 0 CAADLO CNC(=O)C1(C(=O)N2CCC[N@@H+]([C@@H](C)C(N)=O)CC2)CC1 ZINC001197440869 782054148 /nfs/dbraw/zinc/05/41/48/782054148.db2.gz PWQJEMBQXGRIPW-JTQLQIEISA-N 1 2 296.371 -1.079 20 0 CAADLO CN1CCOC[C@@H]1C(=O)N1C[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000345695428 290118174 /nfs/dbraw/zinc/11/81/74/290118174.db2.gz YYEQIDUOVBTKOF-TUAOUCFPSA-N 1 2 269.345 -1.142 20 0 CAADLO CN1CCOC[C@@H]1C(=O)N1C[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000345695428 290118175 /nfs/dbraw/zinc/11/81/75/290118175.db2.gz YYEQIDUOVBTKOF-TUAOUCFPSA-N 1 2 269.345 -1.142 20 0 CAADLO CN1CC[C@@H]([N@@H+]2CCN3C(=O)C(=O)NC[C@@H]3C2)C1=O ZINC000177104016 290129752 /nfs/dbraw/zinc/12/97/52/290129752.db2.gz ISBGCZUIOHLPIL-RKDXNWHRSA-N 1 2 266.301 -2.140 20 0 CAADLO CN1CC[C@@H]([N@H+]2CCN3C(=O)C(=O)NC[C@@H]3C2)C1=O ZINC000177104016 290129756 /nfs/dbraw/zinc/12/97/56/290129756.db2.gz ISBGCZUIOHLPIL-RKDXNWHRSA-N 1 2 266.301 -2.140 20 0 CAADLO CN1CC[C@H]([N@@H+]2CCN3C(=O)C(=O)NC[C@H]3C2)C1=O ZINC000246581109 290197898 /nfs/dbraw/zinc/19/78/98/290197898.db2.gz ISBGCZUIOHLPIL-IUCAKERBSA-N 1 2 266.301 -2.140 20 0 CAADLO CN1CC[C@H]([N@H+]2CCN3C(=O)C(=O)NC[C@H]3C2)C1=O ZINC000246581109 290197899 /nfs/dbraw/zinc/19/78/99/290197899.db2.gz ISBGCZUIOHLPIL-IUCAKERBSA-N 1 2 266.301 -2.140 20 0 CAADLO CN1CC[C@H]([N@@H+]2CCC[C@H](S(N)(=O)=O)C2)C1=O ZINC000408198374 290198123 /nfs/dbraw/zinc/19/81/23/290198123.db2.gz MTPHFBWMZBGOMV-IUCAKERBSA-N 1 2 261.347 -1.030 20 0 CAADLO CN1CC[C@H]([N@H+]2CCC[C@H](S(N)(=O)=O)C2)C1=O ZINC000408198374 290198124 /nfs/dbraw/zinc/19/81/24/290198124.db2.gz MTPHFBWMZBGOMV-IUCAKERBSA-N 1 2 261.347 -1.030 20 0 CAADLO CNC(=O)C1(C(=O)N2CCC[N@H+]([C@@H](C)C(N)=O)CC2)CC1 ZINC001197440869 782054159 /nfs/dbraw/zinc/05/41/59/782054159.db2.gz PWQJEMBQXGRIPW-JTQLQIEISA-N 1 2 296.371 -1.079 20 0 CAADLO CN1C[C@@H](C[N@@H+]2CCN3C(=O)C(=O)NC[C@@H]3C2)OC1=O ZINC000496812726 290267365 /nfs/dbraw/zinc/26/73/65/290267365.db2.gz ULWOHVBXFGQNAQ-BDAKNGLRSA-N 1 2 282.300 -1.920 20 0 CAADLO CN1C[C@@H](C[N@H+]2CCN3C(=O)C(=O)NC[C@@H]3C2)OC1=O ZINC000496812726 290267367 /nfs/dbraw/zinc/26/73/67/290267367.db2.gz ULWOHVBXFGQNAQ-BDAKNGLRSA-N 1 2 282.300 -1.920 20 0 CAADLO CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2nnc[nH]2)C1 ZINC001197643834 782056273 /nfs/dbraw/zinc/05/62/73/782056273.db2.gz FALYPCJCLZLNQB-NXEZZACHSA-N 1 2 283.332 -1.455 20 0 CAADLO O=C(Cc1nnc[nH]1)N[C@@H]1C[N@H+](CCOCCO)C[C@H]1O ZINC001197645035 782056038 /nfs/dbraw/zinc/05/60/38/782056038.db2.gz WEKSFLAWISAXGF-NXEZZACHSA-N 1 2 299.331 -2.483 20 0 CAADLO O=C(Cc1nnc[nH]1)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O ZINC001197645035 782056048 /nfs/dbraw/zinc/05/60/48/782056048.db2.gz WEKSFLAWISAXGF-NXEZZACHSA-N 1 2 299.331 -2.483 20 0 CAADLO CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2nnc[nH]2)C1 ZINC001197643834 782056263 /nfs/dbraw/zinc/05/62/63/782056263.db2.gz FALYPCJCLZLNQB-NXEZZACHSA-N 1 2 283.332 -1.455 20 0 CAADLO CNC(=O)C1([NH2+]Cc2nc(=O)n(C)[nH]2)CCOCC1 ZINC001197826530 782060104 /nfs/dbraw/zinc/06/01/04/782060104.db2.gz NIGUSEHFPCPWRD-UHFFFAOYSA-N 1 2 269.305 -1.507 20 0 CAADLO C[C@@H]1C[N@@H+]([C@@H]2CC(=O)N(C)C2=O)C[C@@H](C(N)=O)O1 ZINC000346816759 297069595 /nfs/dbraw/zinc/06/95/95/297069595.db2.gz FIDRMSFRWCRGPP-PRJMDXOYSA-N 1 2 255.274 -1.682 20 0 CAADLO C[C@@H]1C[N@H+]([C@@H]2CC(=O)N(C)C2=O)C[C@@H](C(N)=O)O1 ZINC000346816759 297069598 /nfs/dbraw/zinc/06/95/98/297069598.db2.gz FIDRMSFRWCRGPP-PRJMDXOYSA-N 1 2 255.274 -1.682 20 0 CAADLO C[C@@H]1C[N@@H+]([C@@H]2CC(=O)N(C)C2=O)C[C@H](C(N)=O)O1 ZINC000346816749 297069620 /nfs/dbraw/zinc/06/96/20/297069620.db2.gz FIDRMSFRWCRGPP-BWZBUEFSSA-N 1 2 255.274 -1.682 20 0 CAADLO C[C@@H]1C[N@H+]([C@@H]2CC(=O)N(C)C2=O)C[C@H](C(N)=O)O1 ZINC000346816749 297069621 /nfs/dbraw/zinc/06/96/21/297069621.db2.gz FIDRMSFRWCRGPP-BWZBUEFSSA-N 1 2 255.274 -1.682 20 0 CAADLO C[C@@H]1C[N@@H+]([C@H]2CC(=O)N(C)C2=O)C[C@@H](C(N)=O)O1 ZINC000346816754 297073887 /nfs/dbraw/zinc/07/38/87/297073887.db2.gz FIDRMSFRWCRGPP-CSMHCCOUSA-N 1 2 255.274 -1.682 20 0 CAADLO C[C@@H]1C[N@H+]([C@H]2CC(=O)N(C)C2=O)C[C@@H](C(N)=O)O1 ZINC000346816754 297073888 /nfs/dbraw/zinc/07/38/88/297073888.db2.gz FIDRMSFRWCRGPP-CSMHCCOUSA-N 1 2 255.274 -1.682 20 0 CAADLO C[C@@H]1C[N@@H+]([C@H]2COC[C@@H]2O)CCN1S(C)(=O)=O ZINC000361356854 297075693 /nfs/dbraw/zinc/07/56/93/297075693.db2.gz UJZJOYSGBZIKSD-UTLUCORTSA-N 1 2 264.347 -1.288 20 0 CAADLO C[C@@H]1C[N@H+]([C@H]2COC[C@@H]2O)CCN1S(C)(=O)=O ZINC000361356854 297075696 /nfs/dbraw/zinc/07/56/96/297075696.db2.gz UJZJOYSGBZIKSD-UTLUCORTSA-N 1 2 264.347 -1.288 20 0 CAADLO C[C@@H]1C[N@@H+]([C@H]2COC[C@H]2O)CCN1S(C)(=O)=O ZINC000361356852 297075779 /nfs/dbraw/zinc/07/57/79/297075779.db2.gz UJZJOYSGBZIKSD-KXUCPTDWSA-N 1 2 264.347 -1.288 20 0 CAADLO C[C@@H]1C[N@H+]([C@H]2COC[C@H]2O)CCN1S(C)(=O)=O ZINC000361356852 297075780 /nfs/dbraw/zinc/07/57/80/297075780.db2.gz UJZJOYSGBZIKSD-KXUCPTDWSA-N 1 2 264.347 -1.288 20 0 CAADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)CCNC(N)=O)CC1 ZINC001198065215 782061765 /nfs/dbraw/zinc/06/17/65/782061765.db2.gz MPPGPCVSDTXBEA-UHFFFAOYSA-N 1 2 299.375 -1.285 20 0 CAADLO CCNC(=O)C[N@H+]1CCCN(C(=O)CCNC(N)=O)CC1 ZINC001198065215 782061776 /nfs/dbraw/zinc/06/17/76/782061776.db2.gz MPPGPCVSDTXBEA-UHFFFAOYSA-N 1 2 299.375 -1.285 20 0 CAADLO C[C@@H]1OC(=O)N[C@@H]1C(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000496206829 297551476 /nfs/dbraw/zinc/55/14/76/297551476.db2.gz OFALJMMMYMBZCF-IUCAKERBSA-N 1 2 298.343 -1.109 20 0 CAADLO C[C@H](C(=O)NC(C)(C)C)[N@@H+]1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC000177112204 298128734 /nfs/dbraw/zinc/12/87/34/298128734.db2.gz UVHXINYVCPBDIP-NXEZZACHSA-N 1 2 296.371 -1.068 20 0 CAADLO C[C@H](C(=O)NC(C)(C)C)[N@H+]1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC000177112204 298128738 /nfs/dbraw/zinc/12/87/38/298128738.db2.gz UVHXINYVCPBDIP-NXEZZACHSA-N 1 2 296.371 -1.068 20 0 CAADLO C[C@H](C(=O)NC(N)=O)[N@@H+]1CCN2CCOC[C@H]2C1 ZINC000368212505 298133683 /nfs/dbraw/zinc/13/36/83/298133683.db2.gz OJRNELNBDXQQSE-RKDXNWHRSA-N 1 2 256.306 -1.414 20 0 CAADLO C[C@H](C(=O)NC(N)=O)[N@H+]1CCN2CCOC[C@H]2C1 ZINC000368212505 298133685 /nfs/dbraw/zinc/13/36/85/298133685.db2.gz OJRNELNBDXQQSE-RKDXNWHRSA-N 1 2 256.306 -1.414 20 0 CAADLO C[C@H](C[NH+]1CCOCC1)NC(=O)N1C[C@@H](O)C[C@@H]1CO ZINC000361348362 298640443 /nfs/dbraw/zinc/64/04/43/298640443.db2.gz JXOLJVIDISMZNP-UTUOFQBUSA-N 1 2 287.360 -1.156 20 0 CAADLO C[C@H](NC(=O)C[N@H+](C)[C@H]1CCN(C)C1=O)C(=O)N(C)C ZINC000352662351 299049452 /nfs/dbraw/zinc/04/94/52/299049452.db2.gz YNJSYUNGPWTRFM-UWVGGRQHSA-N 1 2 284.360 -1.258 20 0 CAADLO C[C@H](NC(=O)C[N@@H+](C)[C@H]1CCN(C)C1=O)C(=O)N(C)C ZINC000352662351 299049455 /nfs/dbraw/zinc/04/94/55/299049455.db2.gz YNJSYUNGPWTRFM-UWVGGRQHSA-N 1 2 284.360 -1.258 20 0 CAADLO CCOC(=O)COCC[N@@H+]1CCO[C@@H](C(N)=O)C1 ZINC000347756746 528823892 /nfs/dbraw/zinc/82/38/92/528823892.db2.gz OGUNKMFYCQNPAJ-SECBINFHSA-N 1 2 260.290 -1.248 20 0 CAADLO CCOC(=O)COCC[N@H+]1CCO[C@@H](C(N)=O)C1 ZINC000347756746 528823901 /nfs/dbraw/zinc/82/39/01/528823901.db2.gz OGUNKMFYCQNPAJ-SECBINFHSA-N 1 2 260.290 -1.248 20 0 CAADLO O=C(C(=O)N1CC[NH+]([C@@H]2COC[C@@H]2O)CC1)N1CCCC1 ZINC000361293865 303533409 /nfs/dbraw/zinc/53/34/09/303533409.db2.gz BALLFEYZCIROTJ-NEPJUHHUSA-N 1 2 297.355 -1.487 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCNC(N)=O)C1 ZINC001198489319 782068361 /nfs/dbraw/zinc/06/83/61/782068361.db2.gz FRFVYZXCTGSYJY-BWZBUEFSSA-N 1 2 287.320 -2.920 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCNC(N)=O)C1 ZINC001198489319 782068371 /nfs/dbraw/zinc/06/83/71/782068371.db2.gz FRFVYZXCTGSYJY-BWZBUEFSSA-N 1 2 287.320 -2.920 20 0 CAADLO CCS(=O)(=O)NCC[NH2+][C@H](C)c1nnnn1C ZINC001198448734 782067489 /nfs/dbraw/zinc/06/74/89/782067489.db2.gz AJMFMMHVSORPHW-SSDOTTSWSA-N 1 2 262.339 -1.200 20 0 CAADLO CCS(=O)(=O)CC(=O)N[C@@H]1C[N@H+](CC2CC2)C[C@H]1O ZINC001199064376 782072086 /nfs/dbraw/zinc/07/20/86/782072086.db2.gz HTUWNCMAQVWVBX-GHMZBOCLSA-N 1 2 290.385 -1.008 20 0 CAADLO CCS(=O)(=O)CC(=O)N[C@@H]1C[N@@H+](CC2CC2)C[C@H]1O ZINC001199064376 782072094 /nfs/dbraw/zinc/07/20/94/782072094.db2.gz HTUWNCMAQVWVBX-GHMZBOCLSA-N 1 2 290.385 -1.008 20 0 CAADLO CN1C(=O)COCC12C[NH+](C[C@H]1COCCO1)C2 ZINC001273777825 782072463 /nfs/dbraw/zinc/07/24/63/782072463.db2.gz DSHAPEOBLMTPIC-JTQLQIEISA-N 1 2 256.302 -1.055 20 0 CAADLO CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)CS(C)(=O)=O)C1 ZINC001199153042 782074126 /nfs/dbraw/zinc/07/41/26/782074126.db2.gz DVEMXFDAFVDPBM-IVZWLZJFSA-N 1 2 278.374 -1.152 20 0 CAADLO CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)CS(C)(=O)=O)C1 ZINC001199153042 782074132 /nfs/dbraw/zinc/07/41/32/782074132.db2.gz DVEMXFDAFVDPBM-IVZWLZJFSA-N 1 2 278.374 -1.152 20 0 CAADLO NC(=O)CCCC(=O)N[C@@H]1C[N@H+](CCF)C[C@H]1O ZINC001199449652 782079530 /nfs/dbraw/zinc/07/95/30/782079530.db2.gz BPEGHUQXPDAUJS-RKDXNWHRSA-N 1 2 261.297 -1.227 20 0 CAADLO NC(=O)CCCC(=O)N[C@@H]1C[N@@H+](CCF)C[C@H]1O ZINC001199449652 782079539 /nfs/dbraw/zinc/07/95/39/782079539.db2.gz BPEGHUQXPDAUJS-RKDXNWHRSA-N 1 2 261.297 -1.227 20 0 CAADLO NC(=O)CCCC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@H]1O ZINC001199451282 782079679 /nfs/dbraw/zinc/07/96/79/782079679.db2.gz UCIAQOCWYZEODO-OPRDCNLKSA-N 1 2 298.343 -2.308 20 0 CAADLO NC(=O)CCCC(=O)N[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@H]1O ZINC001199451282 782079690 /nfs/dbraw/zinc/07/96/90/782079690.db2.gz UCIAQOCWYZEODO-OPRDCNLKSA-N 1 2 298.343 -2.308 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCC(N)=O)C1 ZINC001199429945 782080229 /nfs/dbraw/zinc/08/02/29/782080229.db2.gz QQIPGZLZVPHIJS-DJLDLDEBSA-N 1 2 286.332 -2.323 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCC(N)=O)C1 ZINC001199429945 782080236 /nfs/dbraw/zinc/08/02/36/782080236.db2.gz QQIPGZLZVPHIJS-DJLDLDEBSA-N 1 2 286.332 -2.323 20 0 CAADLO O=C(CNC(=O)[C@H]1CCOC1)NCC[NH+]1CCOCC1 ZINC000332817818 327660366 /nfs/dbraw/zinc/66/03/66/327660366.db2.gz PRUNHWAMQUKJNM-NSHDSACASA-N 1 2 285.344 -1.413 20 0 CAADLO C[C@@H](NC(=O)Cn1ncn(C)c1=O)[C@H](C)[NH+]1CCOCC1 ZINC000181598457 327741021 /nfs/dbraw/zinc/74/10/21/327741021.db2.gz XHNVVPHLRSILBZ-MNOVXSKESA-N 1 2 297.359 -1.193 20 0 CAADLO CN(C)C(=O)CNC(=O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000188950546 327762646 /nfs/dbraw/zinc/76/26/46/327762646.db2.gz GPELJKVNJVWMPT-UHFFFAOYSA-N 1 2 282.344 -1.503 20 0 CAADLO CN1CCN(C(=O)C(=O)N2CC[NH+](C)CC2)CC1=O ZINC000563286257 328008956 /nfs/dbraw/zinc/00/89/56/328008956.db2.gz DRSIOMPRBUBKKE-UHFFFAOYSA-N 1 2 268.317 -1.939 20 0 CAADLO Cn1cc[nH+]c1CNC(=O)NCCN1CCNC(=O)C1 ZINC000540976403 328034821 /nfs/dbraw/zinc/03/48/21/328034821.db2.gz SIPDPBOEIVKVMH-UHFFFAOYSA-N 1 2 280.332 -1.349 20 0 CAADLO O=C([C@H]1C[N@@H+]2CCN1CCC2)N1CCS(=O)(=O)CC1 ZINC000534272588 328043053 /nfs/dbraw/zinc/04/30/53/328043053.db2.gz MACJKJHIBAWBJU-LLVKDONJSA-N 1 2 287.385 -1.367 20 0 CAADLO O=C([C@H]1C[N@H+]2CCN1CCC2)N1CCS(=O)(=O)CC1 ZINC000534272588 328043055 /nfs/dbraw/zinc/04/30/55/328043055.db2.gz MACJKJHIBAWBJU-LLVKDONJSA-N 1 2 287.385 -1.367 20 0 CAADLO CS(=O)(=O)NCC[N@@H+]1CCC[C@@]12CCNC2=O ZINC000563362868 328058974 /nfs/dbraw/zinc/05/89/74/328058974.db2.gz DCTSMKWBZCHGGR-JTQLQIEISA-N 1 2 261.347 -1.110 20 0 CAADLO CS(=O)(=O)NCC[N@H+]1CCC[C@@]12CCNC2=O ZINC000563362868 328058976 /nfs/dbraw/zinc/05/89/76/328058976.db2.gz DCTSMKWBZCHGGR-JTQLQIEISA-N 1 2 261.347 -1.110 20 0 CAADLO CS(=O)(=O)NCC[N@@H+]1CCC[C@]12CCNC2=O ZINC000563362871 328059061 /nfs/dbraw/zinc/05/90/61/328059061.db2.gz DCTSMKWBZCHGGR-SNVBAGLBSA-N 1 2 261.347 -1.110 20 0 CAADLO CS(=O)(=O)NCC[N@H+]1CCC[C@]12CCNC2=O ZINC000563362871 328059062 /nfs/dbraw/zinc/05/90/62/328059062.db2.gz DCTSMKWBZCHGGR-SNVBAGLBSA-N 1 2 261.347 -1.110 20 0 CAADLO C[C@H]1C(=O)NCCN1C(=O)C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000567124775 328062030 /nfs/dbraw/zinc/06/20/30/328062030.db2.gz RUQDNNJHHQHQRX-QMMMGPOBSA-N 1 2 279.300 -1.285 20 0 CAADLO C[C@H]1C(=O)NCCN1C(=O)C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000567124775 328062032 /nfs/dbraw/zinc/06/20/32/328062032.db2.gz RUQDNNJHHQHQRX-QMMMGPOBSA-N 1 2 279.300 -1.285 20 0 CAADLO COCCN1CCC[N@@H+]([C@@H]2COC[C@H]2O)CC1=O ZINC000571373401 328117650 /nfs/dbraw/zinc/11/76/50/328117650.db2.gz YNAJFCUWUBZIKE-GHMZBOCLSA-N 1 2 258.318 -1.073 20 0 CAADLO COCCN1CCC[N@H+]([C@@H]2COC[C@H]2O)CC1=O ZINC000571373401 328117652 /nfs/dbraw/zinc/11/76/52/328117652.db2.gz YNAJFCUWUBZIKE-GHMZBOCLSA-N 1 2 258.318 -1.073 20 0 CAADLO CNS(=O)(=O)CC(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000571393792 328118323 /nfs/dbraw/zinc/11/83/23/328118323.db2.gz ZBRBYHFMOWLWOP-JTQLQIEISA-N 1 2 293.389 -1.285 20 0 CAADLO O=C(C[N@@H+]1CCC[C@]12CCNC2=O)N1CCNC(=O)C1 ZINC000571413878 328119918 /nfs/dbraw/zinc/11/99/18/328119918.db2.gz BJAQNZVMJBQAFO-CYBMUJFWSA-N 1 2 280.328 -1.701 20 0 CAADLO O=C(C[N@H+]1CCC[C@]12CCNC2=O)N1CCNC(=O)C1 ZINC000571413878 328119919 /nfs/dbraw/zinc/11/99/19/328119919.db2.gz BJAQNZVMJBQAFO-CYBMUJFWSA-N 1 2 280.328 -1.701 20 0 CAADLO O=C(C[N@@H+]1CCC[C@@]12CCNC2=O)N1CCNC(=O)C1 ZINC000571413880 328120007 /nfs/dbraw/zinc/12/00/07/328120007.db2.gz BJAQNZVMJBQAFO-ZDUSSCGKSA-N 1 2 280.328 -1.701 20 0 CAADLO O=C(C[N@H+]1CCC[C@@]12CCNC2=O)N1CCNC(=O)C1 ZINC000571413880 328120009 /nfs/dbraw/zinc/12/00/09/328120009.db2.gz BJAQNZVMJBQAFO-ZDUSSCGKSA-N 1 2 280.328 -1.701 20 0 CAADLO CN(C)C(=O)CCC[N@@H+]1CCN(CC(N)=O)C(=O)C1 ZINC000571462948 328123477 /nfs/dbraw/zinc/12/34/77/328123477.db2.gz ZLBXUEKOWMFQTL-UHFFFAOYSA-N 1 2 270.333 -1.516 20 0 CAADLO CN(C)C(=O)CCC[N@H+]1CCN(CC(N)=O)C(=O)C1 ZINC000571462948 328123479 /nfs/dbraw/zinc/12/34/79/328123479.db2.gz ZLBXUEKOWMFQTL-UHFFFAOYSA-N 1 2 270.333 -1.516 20 0 CAADLO CN1C[C@@H](NC(=O)CN2CC[NH2+]CC2=O)CC1=O ZINC000582783209 329190898 /nfs/dbraw/zinc/19/08/98/329190898.db2.gz UDOFKSAQSWBCCY-QMMMGPOBSA-N 1 2 254.290 -2.235 20 0 CAADLO C[C@@H](C(=O)N(C)CC(=O)NC1CC1)[N@H+](C)CC(N)=O ZINC000048871835 328323619 /nfs/dbraw/zinc/32/36/19/328323619.db2.gz VASRANIFOZPAGW-QMMMGPOBSA-N 1 2 270.333 -1.471 20 0 CAADLO C[C@@H](C(=O)N(C)CC(=O)NC1CC1)[N@@H+](C)CC(N)=O ZINC000048871835 328323620 /nfs/dbraw/zinc/32/36/20/328323620.db2.gz VASRANIFOZPAGW-QMMMGPOBSA-N 1 2 270.333 -1.471 20 0 CAADLO C[C@H](C(=O)N(C)CC(=O)NC1CC1)[N@H+](C)CC(N)=O ZINC000048871838 328323684 /nfs/dbraw/zinc/32/36/84/328323684.db2.gz VASRANIFOZPAGW-MRVPVSSYSA-N 1 2 270.333 -1.471 20 0 CAADLO C[C@H](C(=O)N(C)CC(=O)NC1CC1)[N@@H+](C)CC(N)=O ZINC000048871838 328323686 /nfs/dbraw/zinc/32/36/86/328323686.db2.gz VASRANIFOZPAGW-MRVPVSSYSA-N 1 2 270.333 -1.471 20 0 CAADLO CNC(=O)NC(=O)C[N@@H+]1CCC[C@H](N2CCNC2=O)C1 ZINC000049442190 328361433 /nfs/dbraw/zinc/36/14/33/328361433.db2.gz KDHHJVNHUPKNBO-VIFPVBQESA-N 1 2 283.332 -1.068 20 0 CAADLO CNC(=O)NC(=O)C[N@H+]1CCC[C@H](N2CCNC2=O)C1 ZINC000049442190 328361435 /nfs/dbraw/zinc/36/14/35/328361435.db2.gz KDHHJVNHUPKNBO-VIFPVBQESA-N 1 2 283.332 -1.068 20 0 CAADLO CNC(=O)NC(=O)C[N@@H+]1CCC[C@@H](N2CCNC2=O)C1 ZINC000049442191 328361534 /nfs/dbraw/zinc/36/15/34/328361534.db2.gz KDHHJVNHUPKNBO-SECBINFHSA-N 1 2 283.332 -1.068 20 0 CAADLO CNC(=O)NC(=O)C[N@H+]1CCC[C@@H](N2CCNC2=O)C1 ZINC000049442191 328361535 /nfs/dbraw/zinc/36/15/35/328361535.db2.gz KDHHJVNHUPKNBO-SECBINFHSA-N 1 2 283.332 -1.068 20 0 CAADLO C[C@@H](O)C[NH+]1CCN(S(=O)(=O)C2COC2)CC1 ZINC000330272964 533706018 /nfs/dbraw/zinc/70/60/18/533706018.db2.gz YLBJPBZCEYEYQP-SECBINFHSA-N 1 2 264.347 -1.287 20 0 CAADLO C[C@@H](CNC(=O)[C@@H]1C[N@@H+]2CCN1CCC2)S(C)(=O)=O ZINC000535016523 328375955 /nfs/dbraw/zinc/37/59/55/328375955.db2.gz CDNFLEXUEBQCOT-QWRGUYRKSA-N 1 2 289.401 -1.074 20 0 CAADLO C[C@@H](CNC(=O)[C@@H]1C[N@H+]2CCN1CCC2)S(C)(=O)=O ZINC000535016523 328375956 /nfs/dbraw/zinc/37/59/56/328375956.db2.gz CDNFLEXUEBQCOT-QWRGUYRKSA-N 1 2 289.401 -1.074 20 0 CAADLO CCN(C(=O)C[N@H+](C)CCO)[C@H]1CCS(=O)(=O)C1 ZINC000049634107 328376239 /nfs/dbraw/zinc/37/62/39/328376239.db2.gz MFWYHESYIBLXMN-JTQLQIEISA-N 1 2 278.374 -1.054 20 0 CAADLO CCN(C(=O)C[N@@H+](C)CCO)[C@H]1CCS(=O)(=O)C1 ZINC000049634107 328376241 /nfs/dbraw/zinc/37/62/41/328376241.db2.gz MFWYHESYIBLXMN-JTQLQIEISA-N 1 2 278.374 -1.054 20 0 CAADLO C[C@H](CNC(=O)C(=O)N(C)CC[NH+](C)C)S(C)(=O)=O ZINC000563876144 328541466 /nfs/dbraw/zinc/54/14/66/328541466.db2.gz QUPZZKNYBNPGDY-SECBINFHSA-N 1 2 293.389 -1.444 20 0 CAADLO CS(=O)(=O)NCCC(=O)NCC[NH+]1CCOCC1 ZINC000047629887 326960060 /nfs/dbraw/zinc/96/00/60/326960060.db2.gz GKKLRFCUDGAYPG-UHFFFAOYSA-N 1 2 279.362 -1.626 20 0 CAADLO CC(C)(C)NC(=O)CNC(=O)C[NH+]1CC(C)(C(N)=O)C1 ZINC000564449108 327090166 /nfs/dbraw/zinc/09/01/66/327090166.db2.gz WUSITUXWRKLEAV-UHFFFAOYSA-N 1 2 284.360 -1.176 20 0 CAADLO C[C@@H](CC(N)=O)NS(=O)(=O)CCC[NH+]1CCOCC1 ZINC000558659713 327112974 /nfs/dbraw/zinc/11/29/74/327112974.db2.gz MAJJSAMZSOUVBQ-JTQLQIEISA-N 1 2 293.389 -1.108 20 0 CAADLO NC(=O)[C@H]1CCCN(C(=O)CN2CC[NH2+]CC2=O)C1 ZINC000573325649 327135450 /nfs/dbraw/zinc/13/54/50/327135450.db2.gz NIPOWJHRNDXTBN-VIFPVBQESA-N 1 2 268.317 -1.858 20 0 CAADLO CC(C)Nc1nc(N[C@H]2CO[C@H](C)C2)nc(NCCO)[nH+]1 ZINC000566161866 327151960 /nfs/dbraw/zinc/15/19/60/327151960.db2.gz IUHIWYLQPHCJSR-NXEZZACHSA-N 1 2 296.375 -1.049 20 0 CAADLO CC(C)Nc1nc(NCCO)[nH+]c(N[C@H]2CO[C@H](C)C2)n1 ZINC000566161866 327151963 /nfs/dbraw/zinc/15/19/63/327151963.db2.gz IUHIWYLQPHCJSR-NXEZZACHSA-N 1 2 296.375 -1.049 20 0 CAADLO CC(C)Nc1nc(NCCO)nc(N[C@H]2CO[C@H](C)C2)[nH+]1 ZINC000566161866 327151964 /nfs/dbraw/zinc/15/19/64/327151964.db2.gz IUHIWYLQPHCJSR-NXEZZACHSA-N 1 2 296.375 -1.049 20 0 CAADLO CNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@H](CO)O[C@@H](C)C1 ZINC000299973152 327157092 /nfs/dbraw/zinc/15/70/92/327157092.db2.gz XFVSTHBBUASMAM-XHNCKOQMSA-N 1 2 259.306 -1.088 20 0 CAADLO CNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@H](CO)O[C@@H](C)C1 ZINC000299973152 327157093 /nfs/dbraw/zinc/15/70/93/327157093.db2.gz XFVSTHBBUASMAM-XHNCKOQMSA-N 1 2 259.306 -1.088 20 0 CAADLO CNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@@H](C)O[C@H](CO)C1 ZINC000299973150 327157107 /nfs/dbraw/zinc/15/71/07/327157107.db2.gz XFVSTHBBUASMAM-VGMNWLOBSA-N 1 2 259.306 -1.088 20 0 CAADLO CNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@@H](C)O[C@H](CO)C1 ZINC000299973150 327157109 /nfs/dbraw/zinc/15/71/09/327157109.db2.gz XFVSTHBBUASMAM-VGMNWLOBSA-N 1 2 259.306 -1.088 20 0 CAADLO Cn1cc(S(=O)(=O)Nc2c[nH+]c[nH]2)c(=O)n(C)c1=O ZINC000559690793 327257944 /nfs/dbraw/zinc/25/79/44/327257944.db2.gz IWQWNHWASDHZPA-UHFFFAOYSA-N 1 2 285.285 -1.392 20 0 CAADLO C[C@H](O)C[NH+]1CCN(S(=O)(=O)N2CCC2)CC1 ZINC000560471348 327311923 /nfs/dbraw/zinc/31/19/23/327311923.db2.gz VPVNIKZODBONGX-JTQLQIEISA-N 1 2 263.363 -1.065 20 0 CAADLO C[C@H](C[S@@](C)=O)NC(=O)CN1CC[NH2+]CC1=O ZINC000572600378 327297752 /nfs/dbraw/zinc/29/77/52/327297752.db2.gz RRVSCTHOUAZBEG-CQLKUDPESA-N 1 2 261.347 -1.699 20 0 CAADLO O=C(N[C@H](CO)C[NH+]1CCOCC1)[C@@H]1COCCO1 ZINC000560454386 327310143 /nfs/dbraw/zinc/31/01/43/327310143.db2.gz BOSMFSMGMWEJJO-QWRGUYRKSA-N 1 2 274.317 -1.789 20 0 CAADLO C[C@H]1CN(C(=O)C(=O)N2CC[NH+](C3CC3)CC2)CC(=O)N1 ZINC000583367503 327324995 /nfs/dbraw/zinc/32/49/95/327324995.db2.gz RTOPZGBYSGFNEP-JTQLQIEISA-N 1 2 294.355 -1.360 20 0 CAADLO Cn1c[nH+]c(CCNC(=O)C(=O)N2CCN(C)C(=O)C2)c1 ZINC000566412609 327350389 /nfs/dbraw/zinc/35/03/89/327350389.db2.gz XVXSAJOZARFIAH-UHFFFAOYSA-N 1 2 293.327 -1.621 20 0 CAADLO COC(=O)CCNC(=O)C[NH+]1CC(C)(C(N)=O)C1 ZINC000583438335 327364479 /nfs/dbraw/zinc/36/44/79/327364479.db2.gz FHFHKWCCCPWNDZ-UHFFFAOYSA-N 1 2 257.290 -1.527 20 0 CAADLO O=C(CN1CC[NH2+]CC1=O)Nc1nnc2n1CCCC2 ZINC000574689484 327364891 /nfs/dbraw/zinc/36/48/91/327364891.db2.gz NZVUDCNFCSEKRA-UHFFFAOYSA-N 1 2 278.316 -1.015 20 0 CAADLO O=S(=O)(CCC[NH+]1CCOCC1)N[C@@H]1COC[C@H]1O ZINC000566491915 327397162 /nfs/dbraw/zinc/39/71/62/327397162.db2.gz CVPHSNYBXPJMPX-GHMZBOCLSA-N 1 2 294.373 -1.612 20 0 CAADLO C[C@H](NC(=O)C[NH+]1CC(C)(C(N)=O)C1)C(=O)N(C)C ZINC000570628777 327606037 /nfs/dbraw/zinc/60/60/37/327606037.db2.gz CMTNKZBWLAHJCA-QMMMGPOBSA-N 1 2 270.333 -1.614 20 0 CAADLO CN1CC[N@H+](C)C[C@@H]1CNS(=O)(=O)NC1CC1 ZINC000547792188 329074578 /nfs/dbraw/zinc/07/45/78/329074578.db2.gz HHADCBVRHXDVQS-JTQLQIEISA-N 1 2 262.379 -1.181 20 0 CAADLO CN1CC[N@@H+](C)C[C@@H]1CNS(=O)(=O)NC1CC1 ZINC000547792188 329074580 /nfs/dbraw/zinc/07/45/80/329074580.db2.gz HHADCBVRHXDVQS-JTQLQIEISA-N 1 2 262.379 -1.181 20 0 CAADLO O=C(CN1CN=NC1=O)NCC1([NH+]2CCOCC2)CC1 ZINC000582882966 329284944 /nfs/dbraw/zinc/28/49/44/329284944.db2.gz KTIQFCVEDGRNGP-UHFFFAOYSA-N 1 2 281.316 -1.035 20 0 CAADLO C[C@H](CNC(=O)CN1CC[NH2+]CC1=O)N1CCCCC1=O ZINC000583202037 329361295 /nfs/dbraw/zinc/36/12/95/329361295.db2.gz NZRGDGUQHVBYBS-LLVKDONJSA-N 1 2 296.371 -1.065 20 0 CAADLO CNS(=O)(=O)[C@@H]1CC[N@@H+]([C@@H]2CC(=O)NC2=O)C1 ZINC000583212738 329368807 /nfs/dbraw/zinc/36/88/07/329368807.db2.gz UYCFYOWSBUVVKV-RNFRBKRXSA-N 1 2 261.303 -1.975 20 0 CAADLO CNS(=O)(=O)[C@@H]1CC[N@H+]([C@@H]2CC(=O)NC2=O)C1 ZINC000583212738 329368809 /nfs/dbraw/zinc/36/88/09/329368809.db2.gz UYCFYOWSBUVVKV-RNFRBKRXSA-N 1 2 261.303 -1.975 20 0 CAADLO CCS(=O)(=O)NCCNC(=O)Cn1cc[nH+]c1 ZINC000572109125 329945224 /nfs/dbraw/zinc/94/52/24/329945224.db2.gz JBUSFSDVEBMJCD-UHFFFAOYSA-N 1 2 260.319 -1.061 20 0 CAADLO CC(=O)NCCN(C)C(=O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000572404608 330063994 /nfs/dbraw/zinc/06/39/94/330063994.db2.gz PZAAMYDVUWYXLM-UHFFFAOYSA-N 1 2 296.371 -1.113 20 0 CAADLO Cn1c(N)c(C(=O)C[N@H+](C)C2CC2)c(=O)n(C)c1=O ZINC000046060255 330351174 /nfs/dbraw/zinc/35/11/74/330351174.db2.gz MJNUFCDJMYUIRL-UHFFFAOYSA-N 1 2 266.301 -1.057 20 0 CAADLO Cn1c(N)c(C(=O)C[N@@H+](C)C2CC2)c(=O)n(C)c1=O ZINC000046060255 330351175 /nfs/dbraw/zinc/35/11/75/330351175.db2.gz MJNUFCDJMYUIRL-UHFFFAOYSA-N 1 2 266.301 -1.057 20 0 CAADLO C[C@@H]1OCC[C@@H]1C(=O)NCC(=O)NCC[NH+]1CCOCC1 ZINC000537737231 330456467 /nfs/dbraw/zinc/45/64/67/330456467.db2.gz VKXLDIQCYNLXJW-RYUDHWBXSA-N 1 2 299.371 -1.024 20 0 CAADLO COC(=O)[C@H]1CC[C@@H](NC(=O)CN2CC[NH2+]CC2=O)C1 ZINC000566196595 334635242 /nfs/dbraw/zinc/63/52/42/334635242.db2.gz QBLDCPBALURXMC-VHSXEESVSA-N 1 2 283.328 -1.124 20 0 CAADLO O=C(CCOC1C[NH2+]C1)NCCCc1n[nH]c(=O)[nH]1 ZINC000575985470 335138192 /nfs/dbraw/zinc/13/81/92/335138192.db2.gz MQWQNPCEIULYPC-UHFFFAOYSA-N 1 2 269.305 -1.062 20 0 CAADLO CN1CCC[C@@H](NC(=O)CN2CC[NH2+]CC2=O)C1=O ZINC000567500273 333726940 /nfs/dbraw/zinc/72/69/40/333726940.db2.gz UUAUKNBXDLZDEJ-SECBINFHSA-N 1 2 268.317 -1.845 20 0 CAADLO Cn1ncn(CC(=O)NCC(C)(C)[NH+]2CCOCC2)c1=O ZINC000542828450 333843443 /nfs/dbraw/zinc/84/34/43/333843443.db2.gz IOEOTJAZRJFCTP-UHFFFAOYSA-N 1 2 297.359 -1.191 20 0 CAADLO CNC(=O)[C@H](C)NS(=O)(=O)CCC[NH+]1CCOCC1 ZINC000545918363 334006114 /nfs/dbraw/zinc/00/61/14/334006114.db2.gz YYCUACXYNLQGNE-JTQLQIEISA-N 1 2 293.389 -1.237 20 0 CAADLO COC(=O)[C@H]1[C@@H](O)CCCN1C(=O)CN1CC[NH2+]CC1=O ZINC000576228593 335174382 /nfs/dbraw/zinc/17/43/82/335174382.db2.gz ZIVDJITXGSKVIO-JOYOIKCWSA-N 1 2 299.327 -2.057 20 0 CAADLO CN(C)C(=O)C[N@@H+]1CCCN(S(=O)(=O)N(C)C)CC1 ZINC000075706547 334049163 /nfs/dbraw/zinc/04/91/63/334049163.db2.gz AWEXFKVYLBTDSE-UHFFFAOYSA-N 1 2 292.405 -1.111 20 0 CAADLO CN(C)C(=O)C[N@H+]1CCCN(S(=O)(=O)N(C)C)CC1 ZINC000075706547 334049164 /nfs/dbraw/zinc/04/91/64/334049164.db2.gz AWEXFKVYLBTDSE-UHFFFAOYSA-N 1 2 292.405 -1.111 20 0 CAADLO O=C(CNC(=O)c1ccncn1)NCC[NH+]1CCOCC1 ZINC000547651429 334105807 /nfs/dbraw/zinc/10/58/07/334105807.db2.gz WYAMIXQCKRRBAO-UHFFFAOYSA-N 1 2 293.327 -1.345 20 0 CAADLO O=C1C[C@@H](NS(=O)(=O)CCC[NH+]2CCOCC2)CN1 ZINC000548370953 334152632 /nfs/dbraw/zinc/15/26/32/334152632.db2.gz UVSHLSQIJPULLM-SNVBAGLBSA-N 1 2 291.373 -1.483 20 0 CAADLO COC(=O)[C@@H]1CNC(=O)CN1C(=O)Cc1c[nH+]cn1C ZINC000548400346 334153988 /nfs/dbraw/zinc/15/39/88/334153988.db2.gz VSGXNYKBYDNJRQ-VIFPVBQESA-N 1 2 280.284 -1.537 20 0 CAADLO C[C@H](NC(N)=O)C(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000548495874 334160606 /nfs/dbraw/zinc/16/06/06/334160606.db2.gz IOALRZNFCAQFIW-IUCAKERBSA-N 1 2 258.322 -1.120 20 0 CAADLO C[C@H](NC(N)=O)C(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000548495874 334160607 /nfs/dbraw/zinc/16/06/07/334160607.db2.gz IOALRZNFCAQFIW-IUCAKERBSA-N 1 2 258.322 -1.120 20 0 CAADLO CN1CC[C@H]([N@@H+]2CC[C@@H](NS(C)(=O)=O)C2)C1=O ZINC000246939582 334271997 /nfs/dbraw/zinc/27/19/97/334271997.db2.gz CFDKMXGPYQFSKM-BDAKNGLRSA-N 1 2 261.347 -1.159 20 0 CAADLO CN1CC[C@H]([N@H+]2CC[C@@H](NS(C)(=O)=O)C2)C1=O ZINC000246939582 334271998 /nfs/dbraw/zinc/27/19/98/334271998.db2.gz CFDKMXGPYQFSKM-BDAKNGLRSA-N 1 2 261.347 -1.159 20 0 CAADLO CCNS(=O)(=O)[C@@H]1CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC000245526677 334200724 /nfs/dbraw/zinc/20/07/24/334200724.db2.gz CIDCWGRAFCICNG-BDAKNGLRSA-N 1 2 261.347 -1.112 20 0 CAADLO CCNS(=O)(=O)[C@@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC000245526677 334200726 /nfs/dbraw/zinc/20/07/26/334200726.db2.gz CIDCWGRAFCICNG-BDAKNGLRSA-N 1 2 261.347 -1.112 20 0 CAADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)C(=O)NCc1cc[nH]n1 ZINC000549790085 334205131 /nfs/dbraw/zinc/20/51/31/334205131.db2.gz LMFPOIZBAAIINS-JTQLQIEISA-N 1 2 295.343 -1.137 20 0 CAADLO C[C@H](C[NH+]1CCOCC1)NC(=O)C(=O)NCc1cc[nH]n1 ZINC000549790086 334205206 /nfs/dbraw/zinc/20/52/06/334205206.db2.gz LMFPOIZBAAIINS-SNVBAGLBSA-N 1 2 295.343 -1.137 20 0 CAADLO C[C@H]1COCC[N@@H+]1CCNC(=O)C(=O)NCc1cc[nH]n1 ZINC000549790579 334205273 /nfs/dbraw/zinc/20/52/73/334205273.db2.gz VYGUIHLGVZFKCB-JTQLQIEISA-N 1 2 295.343 -1.137 20 0 CAADLO C[C@H]1COCC[N@H+]1CCNC(=O)C(=O)NCc1cc[nH]n1 ZINC000549790579 334205274 /nfs/dbraw/zinc/20/52/74/334205274.db2.gz VYGUIHLGVZFKCB-JTQLQIEISA-N 1 2 295.343 -1.137 20 0 CAADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)CCn1ncn(C)c1=O ZINC000550313197 334219821 /nfs/dbraw/zinc/21/98/21/334219821.db2.gz MFZSRLMMBVMKDL-LLVKDONJSA-N 1 2 297.359 -1.191 20 0 CAADLO C[C@@H]1COCC[N@H+]1CCNC(=O)CCn1ncn(C)c1=O ZINC000550313197 334219823 /nfs/dbraw/zinc/21/98/23/334219823.db2.gz MFZSRLMMBVMKDL-LLVKDONJSA-N 1 2 297.359 -1.191 20 0 CAADLO Cn1ccc(CC(=O)N[C@H](CO)C[NH+]2CCOCC2)n1 ZINC000552039002 334279699 /nfs/dbraw/zinc/27/96/99/334279699.db2.gz AHRCHBVNVKFIRL-LBPRGKRZSA-N 1 2 282.344 -1.228 20 0 CAADLO Cn1ccc(CC(=O)N[C@@H](CO)C[NH+]2CCOCC2)n1 ZINC000552039000 334279709 /nfs/dbraw/zinc/27/97/09/334279709.db2.gz AHRCHBVNVKFIRL-GFCCVEGCSA-N 1 2 282.344 -1.228 20 0 CAADLO Cn1c(=O)cccc1C(=O)N[C@@H](CO)C[NH+]1CCOCC1 ZINC000552039208 334279840 /nfs/dbraw/zinc/27/98/40/334279840.db2.gz SODJVDSEFKFNEU-LLVKDONJSA-N 1 2 295.339 -1.192 20 0 CAADLO C[C@H](CO)N(C[C@H](C)O)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000248959859 334322816 /nfs/dbraw/zinc/32/28/16/334322816.db2.gz QTVCRXWTFYDCPW-OUAUKWLOSA-N 1 2 260.334 -1.093 20 0 CAADLO C[C@H](CO)N(C[C@H](C)O)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000248959859 334322817 /nfs/dbraw/zinc/32/28/17/334322817.db2.gz QTVCRXWTFYDCPW-OUAUKWLOSA-N 1 2 260.334 -1.093 20 0 CAADLO C[C@@H](c1nnnn1C)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000249267470 334330678 /nfs/dbraw/zinc/33/06/78/334330678.db2.gz IRAYRCOUYDXAPM-WDEREUQCSA-N 1 2 284.364 -1.104 20 0 CAADLO C[C@H]1C(=O)N(C)CCN1C[C@@H](O)C[NH+]1CCOCC1 ZINC000249539847 334336048 /nfs/dbraw/zinc/33/60/48/334336048.db2.gz DQHOJGBBLLAUAB-RYUDHWBXSA-N 1 2 271.361 -1.158 20 0 CAADLO C[C@H]1C(=O)N(C)CC[N@H+]1C[C@@H](O)CN1CCOCC1 ZINC000249539847 334336049 /nfs/dbraw/zinc/33/60/49/334336049.db2.gz DQHOJGBBLLAUAB-RYUDHWBXSA-N 1 2 271.361 -1.158 20 0 CAADLO C[C@H]1C(=O)N(C)CC[N@@H+]1C[C@@H](O)CN1CCOCC1 ZINC000249539847 334336051 /nfs/dbraw/zinc/33/60/51/334336051.db2.gz DQHOJGBBLLAUAB-RYUDHWBXSA-N 1 2 271.361 -1.158 20 0 CAADLO C[C@@H]1CC[N@H+](CC(=O)N2CCNC(=O)C2)[C@@H](C(N)=O)C1 ZINC000249548602 334336292 /nfs/dbraw/zinc/33/62/92/334336292.db2.gz HBHFJNDHBODHKE-NXEZZACHSA-N 1 2 282.344 -1.469 20 0 CAADLO C[C@@H]1CC[N@@H+](CC(=O)N2CCNC(=O)C2)[C@@H](C(N)=O)C1 ZINC000249548602 334336293 /nfs/dbraw/zinc/33/62/93/334336293.db2.gz HBHFJNDHBODHKE-NXEZZACHSA-N 1 2 282.344 -1.469 20 0 CAADLO CC[C@@H](C(=O)N[C@@H](CO)C(N)=O)[N@@H+]1CCO[C@@H](CC)C1 ZINC000553309822 334376140 /nfs/dbraw/zinc/37/61/40/334376140.db2.gz IEKGLVHJQPTATN-DCAQKATOSA-N 1 2 287.360 -1.162 20 0 CAADLO CC[C@@H](C(=O)N[C@@H](CO)C(N)=O)[N@H+]1CCO[C@@H](CC)C1 ZINC000553309822 334376142 /nfs/dbraw/zinc/37/61/42/334376142.db2.gz IEKGLVHJQPTATN-DCAQKATOSA-N 1 2 287.360 -1.162 20 0 CAADLO COCCN1CC[N@H+](CC2(CO)COC2)CC1=O ZINC000091839445 334384438 /nfs/dbraw/zinc/38/44/38/334384438.db2.gz PPVKNZCEZOPRPP-UHFFFAOYSA-N 1 2 258.318 -1.214 20 0 CAADLO COCCN1CC[N@@H+](CC2(CO)COC2)CC1=O ZINC000091839445 334384439 /nfs/dbraw/zinc/38/44/39/334384439.db2.gz PPVKNZCEZOPRPP-UHFFFAOYSA-N 1 2 258.318 -1.214 20 0 CAADLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)CN1CC(=O)NC1=O ZINC000555303296 334474215 /nfs/dbraw/zinc/47/42/15/334474215.db2.gz XBXDNLGDANRJGQ-SNVBAGLBSA-N 1 2 298.343 -1.283 20 0 CAADLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)CN1CC(=O)NC1=O ZINC000555303295 334474378 /nfs/dbraw/zinc/47/43/78/334474378.db2.gz XBXDNLGDANRJGQ-JTQLQIEISA-N 1 2 298.343 -1.283 20 0 CAADLO CN(C)c1noc(CNC(=O)CN2CC[NH2+]CC2=O)n1 ZINC000564939323 334529358 /nfs/dbraw/zinc/52/93/58/334529358.db2.gz GIDZVZMBYSZMHA-UHFFFAOYSA-N 1 2 282.304 -1.816 20 0 CAADLO CN(C)[C@H](C(=O)N1CC(=O)N(C)C(=O)C1)c1c[nH+]cn1C ZINC000565202855 334544579 /nfs/dbraw/zinc/54/45/79/334544579.db2.gz DAILCTKIJYNYQM-LBPRGKRZSA-N 1 2 293.327 -1.150 20 0 CAADLO CC[C@@H](C(=O)N[C@@H]1CS(=O)(=O)C[C@H]1O)[NH+](C)C ZINC000565901493 334607846 /nfs/dbraw/zinc/60/78/46/334607846.db2.gz QDIVHTFGLBLWPF-HRDYMLBCSA-N 1 2 264.347 -1.399 20 0 CAADLO CC1(C)C[NH+](CC(=O)NCCOCCS(N)(=O)=O)C1 ZINC000566454671 334649791 /nfs/dbraw/zinc/64/97/91/334649791.db2.gz FBTJGGFKIUKEHP-UHFFFAOYSA-N 1 2 293.389 -1.251 20 0 CAADLO C[C@@H](C(=O)N1CC[C@@H](CO)[C@@H](O)C1)[NH+]1CCOCC1 ZINC000566570277 334655753 /nfs/dbraw/zinc/65/57/53/334655753.db2.gz GTBLENPPMSJLRU-SRVKXCTJSA-N 1 2 272.345 -1.091 20 0 CAADLO C[C@@H](C(=O)N1CC[C@H](CO)[C@@H](O)C1)[NH+]1CCOCC1 ZINC000566570278 334655761 /nfs/dbraw/zinc/65/57/61/334655761.db2.gz GTBLENPPMSJLRU-TUAOUCFPSA-N 1 2 272.345 -1.091 20 0 CAADLO C[C@@H](C(=O)N1CC[C@H](CO)[C@H](O)C1)[NH+]1CCOCC1 ZINC000566570275 334655933 /nfs/dbraw/zinc/65/59/33/334655933.db2.gz GTBLENPPMSJLRU-QJPTWQEYSA-N 1 2 272.345 -1.091 20 0 CAADLO CNC(=O)CN1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC000566871288 334667810 /nfs/dbraw/zinc/66/78/10/334667810.db2.gz FKTOFVVGYKPVJH-UHFFFAOYSA-N 1 2 265.317 -1.227 20 0 CAADLO CNS(=O)(=O)NCC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000566980570 334671722 /nfs/dbraw/zinc/67/17/22/334671722.db2.gz ZFUOZOWCAYAVAY-MRVPVSSYSA-N 1 2 275.334 -1.558 20 0 CAADLO NC(=O)[C@H]1CC[C@@H]1C(=O)N1CC[NH+](CCO)CC1 ZINC000566981732 334671837 /nfs/dbraw/zinc/67/18/37/334671837.db2.gz OHTKKPGZQBIPJL-UWVGGRQHSA-N 1 2 255.318 -1.366 20 0 CAADLO CC1(C(N)=O)C[NH+](CC(=O)NCC(=O)N2CCCC2)C1 ZINC000567381723 334711269 /nfs/dbraw/zinc/71/12/69/334711269.db2.gz GWTSKGORMYHHDM-UHFFFAOYSA-N 1 2 282.344 -1.468 20 0 CAADLO O=C(CN1CC[NH2+]CC1=O)NCCCc1n[nH]c(=O)[nH]1 ZINC000567806451 334762537 /nfs/dbraw/zinc/76/25/37/334762537.db2.gz KSBWACCKLWXIDY-UHFFFAOYSA-N 1 2 282.304 -2.009 20 0 CAADLO CC(=O)N1CC[NH+](CCNC(=O)c2cnc(N)cn2)CC1 ZINC000567822803 334764856 /nfs/dbraw/zinc/76/48/56/334764856.db2.gz UXVKCJLKRONWGX-UHFFFAOYSA-N 1 2 292.343 -1.047 20 0 CAADLO CCS(=O)(=O)NC1CC[NH+]([C@H]2CC(=O)NC2=O)CC1 ZINC000568764340 334840060 /nfs/dbraw/zinc/84/00/60/334840060.db2.gz PUFBWMWKLGSMOK-VIFPVBQESA-N 1 2 289.357 -1.195 20 0 CAADLO Cn1cnn(CC(=O)N[C@H](CO)C[NH+]2CCOCC2)c1=O ZINC000568888600 334845569 /nfs/dbraw/zinc/84/55/69/334845569.db2.gz XGZRLEGEZUJGQF-JTQLQIEISA-N 1 2 299.331 -2.609 20 0 CAADLO CCCNC(=O)CN(C)C(=O)C[NH+]1CC(C)(C(N)=O)C1 ZINC000569099709 334855141 /nfs/dbraw/zinc/85/51/41/334855141.db2.gz MZLRLXLZUBFNCU-UHFFFAOYSA-N 1 2 284.360 -1.222 20 0 CAADLO Cn1cc(CNC(=O)CN2CC[NH2+]CC2=O)cn1 ZINC000573242987 334920594 /nfs/dbraw/zinc/92/05/94/334920594.db2.gz PXUKGHGYRAKEIM-UHFFFAOYSA-N 1 2 251.290 -1.532 20 0 CAADLO COC[C@H]1CN(C(=O)CN2CC[NH2+]CC2=O)C[C@@H](C)O1 ZINC000576986202 335273908 /nfs/dbraw/zinc/27/39/08/335273908.db2.gz MNPBRZBAYADJTD-GHMZBOCLSA-N 1 2 285.344 -1.320 20 0 CAADLO O=C(NC1CC1)N[C@H]1CC[N@@H+]([C@H]2CC(=O)NC2=O)C1 ZINC000580579199 335289921 /nfs/dbraw/zinc/28/99/21/335289921.db2.gz FIXRWQALMBZQNB-IUCAKERBSA-N 1 2 266.301 -1.063 20 0 CAADLO O=C(NC1CC1)N[C@H]1CC[N@H+]([C@H]2CC(=O)NC2=O)C1 ZINC000580579199 335289922 /nfs/dbraw/zinc/28/99/22/335289922.db2.gz FIXRWQALMBZQNB-IUCAKERBSA-N 1 2 266.301 -1.063 20 0 CAADLO O=C(Cn1cnnn1)NCC1([NH+]2CCOCC2)CC1 ZINC000577318938 335338228 /nfs/dbraw/zinc/33/82/28/335338228.db2.gz SKJQOJNCTLTJBP-UHFFFAOYSA-N 1 2 266.305 -1.346 20 0 CAADLO COCC(=O)NC[C@H]1CN(C(=O)COC)CC[N@@H+]1C ZINC000577405049 335349146 /nfs/dbraw/zinc/34/91/46/335349146.db2.gz TYLPWZHKLXHBTA-JTQLQIEISA-N 1 2 273.333 -1.462 20 0 CAADLO COCC(=O)NC[C@H]1CN(C(=O)COC)CC[N@H+]1C ZINC000577405049 335349148 /nfs/dbraw/zinc/34/91/48/335349148.db2.gz TYLPWZHKLXHBTA-JTQLQIEISA-N 1 2 273.333 -1.462 20 0 CAADLO COC(=O)[C@@H](NC(=O)C[N@H+](C)[C@@H]1COC[C@H]1O)C(C)C ZINC000577733381 335394223 /nfs/dbraw/zinc/39/42/23/335394223.db2.gz KSKMGMVZSSWVJP-FOGDFJRCSA-N 1 2 288.344 -1.008 20 0 CAADLO COC(=O)[C@@H](NC(=O)C[N@@H+](C)[C@@H]1COC[C@H]1O)C(C)C ZINC000577733381 335394225 /nfs/dbraw/zinc/39/42/25/335394225.db2.gz KSKMGMVZSSWVJP-FOGDFJRCSA-N 1 2 288.344 -1.008 20 0 CAADLO COCCCS(=O)(=O)NCC[NH+]1CC(C)(C(N)=O)C1 ZINC000577748793 335396809 /nfs/dbraw/zinc/39/68/09/335396809.db2.gz QZCUWIQRRLVGLW-UHFFFAOYSA-N 1 2 293.389 -1.251 20 0 CAADLO CN1CCOC[C@@H]1C(=O)N[C@@H](CO)C[NH+]1CCOCC1 ZINC000578186563 335548166 /nfs/dbraw/zinc/54/81/66/335548166.db2.gz YXHNNNJSUFBBBO-VXGBXAGGSA-N 1 2 287.360 -1.874 20 0 CAADLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)Cn1cnnn1 ZINC000579784828 335882520 /nfs/dbraw/zinc/88/25/20/335882520.db2.gz YIRUHHDFFWYNRB-SNVBAGLBSA-N 1 2 268.321 -1.148 20 0 CAADLO Cn1ccc(=O)n(C[C@H](O)C[NH+]2CCOCC2)c1=O ZINC000382371869 336086528 /nfs/dbraw/zinc/08/65/28/336086528.db2.gz PGFFUYOIBITNPH-SNVBAGLBSA-N 1 2 269.301 -1.760 20 0 CAADLO NC(=O)CC(=O)NC/C=C\C[NH2+]Cc1nnnn1C1CC1 ZINC001273919126 782108369 /nfs/dbraw/zinc/10/83/69/782108369.db2.gz NAYTYGLAPWFXNG-UPHRSURJSA-N 1 2 293.331 -1.355 20 0 CAADLO C[C@@H](O)CNc1cc(N2CCO[C@@H](C(N)=O)C2)nc[nH+]1 ZINC000354356052 533717109 /nfs/dbraw/zinc/71/71/09/533717109.db2.gz ZOYLUJMFJKWHTO-RKDXNWHRSA-N 1 2 281.316 -1.040 20 0 CAADLO C[C@@H](O)CNc1cc(N2CCO[C@@H](C(N)=O)C2)[nH+]cn1 ZINC000354356052 533717115 /nfs/dbraw/zinc/71/71/15/533717115.db2.gz ZOYLUJMFJKWHTO-RKDXNWHRSA-N 1 2 281.316 -1.040 20 0 CAADLO COC(=O)[C@H](O)C[NH+]1CCN(CC(=O)N2CCCC2)CC1 ZINC001252421640 782113498 /nfs/dbraw/zinc/11/34/98/782113498.db2.gz KAKLMANCAOCSJR-GFCCVEGCSA-N 1 2 299.371 -1.240 20 0 CAADLO COC(=O)[C@@H](O)C[N@@H+]1Cc2ccnn2CC[C@@H]1CO ZINC001252424603 782113452 /nfs/dbraw/zinc/11/34/52/782113452.db2.gz VMMVEQRLXOWBEH-MNOVXSKESA-N 1 2 269.301 -1.016 20 0 CAADLO COC(=O)[C@@H](O)C[N@H+]1Cc2ccnn2CC[C@@H]1CO ZINC001252424603 782113454 /nfs/dbraw/zinc/11/34/54/782113454.db2.gz VMMVEQRLXOWBEH-MNOVXSKESA-N 1 2 269.301 -1.016 20 0 CAADLO CNC(=O)NCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(N)=O ZINC001110630461 782113460 /nfs/dbraw/zinc/11/34/60/782113460.db2.gz DBARJUKFOCJZLP-HLTSFMKQSA-N 1 2 283.332 -1.878 20 0 CAADLO CNC(=O)NCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(N)=O ZINC001110630461 782113462 /nfs/dbraw/zinc/11/34/62/782113462.db2.gz DBARJUKFOCJZLP-HLTSFMKQSA-N 1 2 283.332 -1.878 20 0 CAADLO COC(=O)[C@H](O)C[N@@H+]1CC[C@@H](S(C)(=O)=O)C1 ZINC001252422197 782113472 /nfs/dbraw/zinc/11/34/72/782113472.db2.gz SXJWOXBGAHWSLQ-HTQZYQBOSA-N 1 2 251.304 -1.361 20 0 CAADLO COC(=O)[C@H](O)C[N@H+]1CC[C@@H](S(C)(=O)=O)C1 ZINC001252422197 782113473 /nfs/dbraw/zinc/11/34/73/782113473.db2.gz SXJWOXBGAHWSLQ-HTQZYQBOSA-N 1 2 251.304 -1.361 20 0 CAADLO COC(=O)[C@H](O)C[NH+]1CCN(CC(=O)NC(C)C)CC1 ZINC001252419651 782113829 /nfs/dbraw/zinc/11/38/29/782113829.db2.gz CTWKHUBNPZQIRV-LLVKDONJSA-N 1 2 287.360 -1.338 20 0 CAADLO COC(=O)[C@@H](O)C[N@@H+]1CC[C@@H](S(C)(=O)=O)C1 ZINC001252422199 782114377 /nfs/dbraw/zinc/11/43/77/782114377.db2.gz SXJWOXBGAHWSLQ-SFYZADRCSA-N 1 2 251.304 -1.361 20 0 CAADLO COC(=O)[C@@H](O)C[N@H+]1CC[C@@H](S(C)(=O)=O)C1 ZINC001252422199 782114384 /nfs/dbraw/zinc/11/43/84/782114384.db2.gz SXJWOXBGAHWSLQ-SFYZADRCSA-N 1 2 251.304 -1.361 20 0 CAADLO O=C(C[C@H]1CC(=O)NC1=O)NCC[NH2+]Cc1csnn1 ZINC001153882906 782124065 /nfs/dbraw/zinc/12/40/65/782124065.db2.gz QWAJOLDLGQNZQV-ZETCQYMHSA-N 1 2 297.340 -1.203 20 0 CAADLO C/C(=C\C(=O)NCCC(=O)NC(N)=O)C[NH+]1CCOCC1 ZINC001137177359 782126165 /nfs/dbraw/zinc/12/61/65/782126165.db2.gz LYQFOTZPXMXPJB-CSKARUKUSA-N 1 2 298.343 -1.034 20 0 CAADLO C[C@H](NC(N)=O)C(=O)NC/C=C/C[NH2+]Cc1cnon1 ZINC001273980704 782127742 /nfs/dbraw/zinc/12/77/42/782127742.db2.gz ANHYQUCBTJIOID-SGJFDWMWSA-N 1 2 282.304 -1.112 20 0 CAADLO NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1COC(=O)N1)C2 ZINC001095374322 782128903 /nfs/dbraw/zinc/12/89/03/782128903.db2.gz PJZMQSGKQKHDRV-XAVMHZPKSA-N 1 2 282.300 -1.698 20 0 CAADLO NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1COC(=O)N1)C2 ZINC001095374322 782128911 /nfs/dbraw/zinc/12/89/11/782128911.db2.gz PJZMQSGKQKHDRV-XAVMHZPKSA-N 1 2 282.300 -1.698 20 0 CAADLO Cn1oc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(N)=O)cc1=O ZINC001095358803 782129170 /nfs/dbraw/zinc/12/91/70/782129170.db2.gz OKJCIWALZYLKDZ-VGMNWLOBSA-N 1 2 294.311 -1.201 20 0 CAADLO Cn1oc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(N)=O)cc1=O ZINC001095358803 782129175 /nfs/dbraw/zinc/12/91/75/782129175.db2.gz OKJCIWALZYLKDZ-VGMNWLOBSA-N 1 2 294.311 -1.201 20 0 CAADLO CN1CCOC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(N)=O ZINC001095336181 782129322 /nfs/dbraw/zinc/12/93/22/782129322.db2.gz QKIQJYPTHUCECM-RHYQMDGZSA-N 1 2 296.371 -1.476 20 0 CAADLO CN1CCOC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(N)=O ZINC001095336181 782129329 /nfs/dbraw/zinc/12/93/29/782129329.db2.gz QKIQJYPTHUCECM-RHYQMDGZSA-N 1 2 296.371 -1.476 20 0 CAADLO CNC(=O)CNC(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000726257433 582113472 /nfs/dbraw/zinc/11/34/72/582113472.db2.gz GRIZTBQROSPDEF-SECBINFHSA-N 1 2 258.322 -1.248 20 0 CAADLO COC(CN1C(=O)COCC12C[NH+](C[C@@H](C)O)C2)OC ZINC001274045426 782131053 /nfs/dbraw/zinc/13/10/53/782131053.db2.gz KEURZUFGAVPLFX-SNVBAGLBSA-N 1 2 288.344 -1.101 20 0 CAADLO CC[C@@H](C(N)=O)N1C(=O)COCC12C[NH+](C[C@H](C)O)C2 ZINC001274046807 782130981 /nfs/dbraw/zinc/13/09/81/782130981.db2.gz IEZUGYPKMOWVLJ-UWVGGRQHSA-N 1 2 285.344 -1.456 20 0 CAADLO CCOCCN1C[C@@]2(CC[N@H+](CC(N)=O)C2)OCC1=O ZINC001274055028 782131911 /nfs/dbraw/zinc/13/19/11/782131911.db2.gz XBRHQNBOSIXZST-ZDUSSCGKSA-N 1 2 285.344 -1.189 20 0 CAADLO CCOCCN1C[C@@]2(CC[N@@H+](CC(N)=O)C2)OCC1=O ZINC001274055028 782131919 /nfs/dbraw/zinc/13/19/19/782131919.db2.gz XBRHQNBOSIXZST-ZDUSSCGKSA-N 1 2 285.344 -1.189 20 0 CAADLO CCOCCN1C[C@]2(CC[N@H+](CC(N)=O)C2)OCC1=O ZINC001274055027 782132936 /nfs/dbraw/zinc/13/29/36/782132936.db2.gz XBRHQNBOSIXZST-CYBMUJFWSA-N 1 2 285.344 -1.189 20 0 CAADLO CCOCCN1C[C@]2(CC[N@@H+](CC(N)=O)C2)OCC1=O ZINC001274055027 782132939 /nfs/dbraw/zinc/13/29/39/782132939.db2.gz XBRHQNBOSIXZST-CYBMUJFWSA-N 1 2 285.344 -1.189 20 0 CAADLO COCCOCN1C(=O)COCC12C[NH+](C[C@@H](C)O)C2 ZINC001274048325 782132952 /nfs/dbraw/zinc/13/29/52/782132952.db2.gz YQZODCWUUKCRLA-LLVKDONJSA-N 1 2 288.344 -1.099 20 0 CAADLO CCNC(=O)CN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2CC(N)=O ZINC001274062042 782132308 /nfs/dbraw/zinc/13/23/08/782132308.db2.gz KOPHYRLEZHIVPI-NXEZZACHSA-N 1 2 282.344 -1.327 20 0 CAADLO CCNC(=O)CN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2CC(N)=O ZINC001274062042 782132314 /nfs/dbraw/zinc/13/23/14/782132314.db2.gz KOPHYRLEZHIVPI-NXEZZACHSA-N 1 2 282.344 -1.327 20 0 CAADLO C[C@H](O)C[NH+]1CC2(C1)COCC(=O)N2Cc1nncn1C ZINC001274051449 782132810 /nfs/dbraw/zinc/13/28/10/782132810.db2.gz GFGYSDAGBKPYNQ-JTQLQIEISA-N 1 2 295.343 -1.391 20 0 CAADLO Cn1cnnc1CN1CC[C@@]2(CCC[N@@H+]2CC(N)=O)C1=O ZINC001274061319 782133808 /nfs/dbraw/zinc/13/38/08/782133808.db2.gz GXEJTPKVKGMWBO-ZDUSSCGKSA-N 1 2 292.343 -1.133 20 0 CAADLO CC[N@@H+]1CCO[C@@H](C(=O)NCCS(C)(=O)=O)C1 ZINC000742246402 582140594 /nfs/dbraw/zinc/14/05/94/582140594.db2.gz IXEPZCUVDHVGSH-SECBINFHSA-N 1 2 264.347 -1.132 20 0 CAADLO CC[N@H+]1CCO[C@@H](C(=O)NCCS(C)(=O)=O)C1 ZINC000742246402 582140595 /nfs/dbraw/zinc/14/05/95/582140595.db2.gz IXEPZCUVDHVGSH-SECBINFHSA-N 1 2 264.347 -1.132 20 0 CAADLO CNS(=O)(=O)C[C@H]1CCC[N@H+]1CCS(N)(=O)=O ZINC000749853373 582142790 /nfs/dbraw/zinc/14/27/90/582142790.db2.gz YLVBXJUVOBLWAN-MRVPVSSYSA-N 1 2 285.391 -1.712 20 0 CAADLO Cn1cnnc1CN1CC[C@@]2(CCC[N@H+]2CC(N)=O)C1=O ZINC001274061319 782133813 /nfs/dbraw/zinc/13/38/13/782133813.db2.gz GXEJTPKVKGMWBO-ZDUSSCGKSA-N 1 2 292.343 -1.133 20 0 CAADLO NC(=O)C[N@@H+]1CCOC[C@]2(CC(=O)N(C3COC3)C2)C1 ZINC001274061618 782133950 /nfs/dbraw/zinc/13/39/50/782133950.db2.gz JPZIIAZJWUHWBD-CYBMUJFWSA-N 1 2 283.328 -1.579 20 0 CAADLO NC(=O)C[N@H+]1CCOC[C@]2(CC(=O)N(C3COC3)C2)C1 ZINC001274061618 782133954 /nfs/dbraw/zinc/13/39/54/782133954.db2.gz JPZIIAZJWUHWBD-CYBMUJFWSA-N 1 2 283.328 -1.579 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@]12CCN(C[C@@H]1CCC(=O)N1)C2=O ZINC001274061638 782134197 /nfs/dbraw/zinc/13/41/97/782134197.db2.gz KHEACCMLPCUVDC-IINYFYTJSA-N 1 2 294.355 -1.183 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@]12CCN(C[C@@H]1CCC(=O)N1)C2=O ZINC001274061638 782134202 /nfs/dbraw/zinc/13/42/02/782134202.db2.gz KHEACCMLPCUVDC-IINYFYTJSA-N 1 2 294.355 -1.183 20 0 CAADLO CC[C@H](C(N)=O)N1C[C@@]2(CC[N@H+](CC(N)=O)C2)OCC1=O ZINC001274062748 782134443 /nfs/dbraw/zinc/13/44/43/782134443.db2.gz WYIJKQALLGSJKS-RNCFNFMXSA-N 1 2 298.343 -1.961 20 0 CAADLO CC[C@H](C(N)=O)N1C[C@@]2(CC[N@@H+](CC(N)=O)C2)OCC1=O ZINC001274062748 782134451 /nfs/dbraw/zinc/13/44/51/782134451.db2.gz WYIJKQALLGSJKS-RNCFNFMXSA-N 1 2 298.343 -1.961 20 0 CAADLO NC(=O)CN1CC2(C1)CN(CCn1cc[nH+]c1)C(=O)CO2 ZINC001274061513 782134699 /nfs/dbraw/zinc/13/46/99/782134699.db2.gz CQVOILOUXYBVSY-UHFFFAOYSA-N 1 2 293.327 -1.718 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@]12CCN(C1COC1)C2=O ZINC001274061375 782134727 /nfs/dbraw/zinc/13/47/27/782134727.db2.gz HKQOPSLKDOTXPW-GFCCVEGCSA-N 1 2 253.302 -1.063 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@]12CCN(C1COC1)C2=O ZINC001274061375 782134734 /nfs/dbraw/zinc/13/47/34/782134734.db2.gz HKQOPSLKDOTXPW-GFCCVEGCSA-N 1 2 253.302 -1.063 20 0 CAADLO CC[C@@H](C(N)=O)N1C[C@@]2(CC[N@H+](CC(N)=O)C2)OCC1=O ZINC001274062750 782134824 /nfs/dbraw/zinc/13/48/24/782134824.db2.gz WYIJKQALLGSJKS-ZANVPECISA-N 1 2 298.343 -1.961 20 0 CAADLO CC[C@@H](C(N)=O)N1C[C@@]2(CC[N@@H+](CC(N)=O)C2)OCC1=O ZINC001274062750 782134832 /nfs/dbraw/zinc/13/48/32/782134832.db2.gz WYIJKQALLGSJKS-ZANVPECISA-N 1 2 298.343 -1.961 20 0 CAADLO C[C@H](CO)C[NH+]1CC2(C1)CN(C1COC1)C(=O)CO2 ZINC001274070881 782135735 /nfs/dbraw/zinc/13/57/35/782135735.db2.gz ADFAXGSXOHEJBB-JTQLQIEISA-N 1 2 270.329 -1.073 20 0 CAADLO COC(C[NH+]1CCN(S(N)(=O)=O)CC1)OC ZINC000768519477 582151780 /nfs/dbraw/zinc/15/17/80/582151780.db2.gz UPNUJFPSCRIHOE-UHFFFAOYSA-N 1 2 253.324 -1.574 20 0 CAADLO CC(C)NC(=O)C[N@H+](C)CC(=O)NC[C@](C)(O)CO ZINC000338623994 519705607 /nfs/dbraw/zinc/70/56/07/519705607.db2.gz OCHABSWCEVOROF-LBPRGKRZSA-N 1 2 275.349 -1.698 20 0 CAADLO CC(C)NC(=O)C[N@@H+](C)CC(=O)NC[C@](C)(O)CO ZINC000338623994 519705609 /nfs/dbraw/zinc/70/56/09/519705609.db2.gz OCHABSWCEVOROF-LBPRGKRZSA-N 1 2 275.349 -1.698 20 0 CAADLO C[C@H](NC(=S)NCC(N)=O)[C@H]1C[N@H+](C)CCO1 ZINC000769794494 582152159 /nfs/dbraw/zinc/15/21/59/582152159.db2.gz PBFFYHXMCBRWKU-JGVFFNPUSA-N 1 2 260.363 -1.345 20 0 CAADLO C[C@H](NC(=S)NCC(N)=O)[C@H]1C[N@@H+](C)CCO1 ZINC000769794494 582152160 /nfs/dbraw/zinc/15/21/60/582152160.db2.gz PBFFYHXMCBRWKU-JGVFFNPUSA-N 1 2 260.363 -1.345 20 0 CAADLO CON(C)C(=O)C[N@@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000774621938 582154772 /nfs/dbraw/zinc/15/47/72/582154772.db2.gz GGMVFFMBEQPRQD-QMMMGPOBSA-N 1 2 265.335 -1.370 20 0 CAADLO CON(C)C(=O)C[N@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000774621938 582154775 /nfs/dbraw/zinc/15/47/75/582154775.db2.gz GGMVFFMBEQPRQD-QMMMGPOBSA-N 1 2 265.335 -1.370 20 0 CAADLO CON(C)C(=O)C[N@H+]1CC[C@@H](S(N)(=O)=O)C1 ZINC000774713934 582154986 /nfs/dbraw/zinc/15/49/86/582154986.db2.gz ONAIRHBCFGLIBE-SSDOTTSWSA-N 1 2 251.308 -1.631 20 0 CAADLO CNS(=O)(=O)[C@@H]1CC[N@H+](CC2OCCO2)C1 ZINC000777711945 582156170 /nfs/dbraw/zinc/15/61/70/582156170.db2.gz FMWNZPBRKPDZFL-MRVPVSSYSA-N 1 2 250.320 -1.017 20 0 CAADLO CNS(=O)(=O)[C@@H]1CC[N@@H+](CC2OCCO2)C1 ZINC000777711945 582156171 /nfs/dbraw/zinc/15/61/71/582156171.db2.gz FMWNZPBRKPDZFL-MRVPVSSYSA-N 1 2 250.320 -1.017 20 0 CAADLO CC(=O)N[C@H](C)C(=O)NCCC[NH2+]Cc1nnn(C)n1 ZINC001154370779 782139407 /nfs/dbraw/zinc/13/94/07/782139407.db2.gz XABPSUFOTHNRPI-MRVPVSSYSA-N 1 2 283.336 -1.669 20 0 CAADLO CNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cn(C)nn1)C2 ZINC001095379528 782138675 /nfs/dbraw/zinc/13/86/75/782138675.db2.gz PEKPJWJLXVBQJD-YWVKMMECSA-N 1 2 292.343 -1.104 20 0 CAADLO CNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cn(C)nn1)C2 ZINC001095379528 782138680 /nfs/dbraw/zinc/13/86/80/782138680.db2.gz PEKPJWJLXVBQJD-YWVKMMECSA-N 1 2 292.343 -1.104 20 0 CAADLO CC(C)(C)n1nnnc1C[NH2+]C/C=C/CNC(=O)C(N)=O ZINC001274325250 782143348 /nfs/dbraw/zinc/14/33/48/782143348.db2.gz LLKFQENBPQMQIJ-SNAWJCMRSA-N 1 2 295.347 -1.325 20 0 CAADLO C[C@H]([NH2+]C/C=C/CNC(=O)C(N)=O)c1nnnn1C1CC1 ZINC001274326327 782143900 /nfs/dbraw/zinc/14/39/00/782143900.db2.gz VFCOCOLIPSMRQL-SGJFDWMWSA-N 1 2 293.331 -1.184 20 0 CAADLO CCn1ncnc1C[NH2+]C/C=C\CNC(=O)C(N)=O ZINC001274326027 782143995 /nfs/dbraw/zinc/14/39/95/782143995.db2.gz SEDRRUHBDULKRO-ARJAWSKDSA-N 1 2 266.305 -1.455 20 0 CAADLO NC(=O)C(=O)NC/C=C/C[NH2+]Cc1nncs1 ZINC001274326270 782144389 /nfs/dbraw/zinc/14/43/89/782144389.db2.gz UIQZVEDWHGBOGO-OWOJBTEDSA-N 1 2 255.303 -1.215 20 0 CAADLO C[C@@H]([NH2+]C/C=C/CNC(=O)C(N)=O)c1nnnn1C ZINC001274326484 782145642 /nfs/dbraw/zinc/14/56/42/782145642.db2.gz XSBOGHKARPZZNJ-KGGZQZJCSA-N 1 2 267.293 -1.982 20 0 CAADLO C[C@@H]([NH2+]C/C=C\CNC(=O)C(N)=O)c1nnnn1C ZINC001274326483 782145343 /nfs/dbraw/zinc/14/53/43/782145343.db2.gz XSBOGHKARPZZNJ-KFOINNEUSA-N 1 2 267.293 -1.982 20 0 CAADLO CC(=O)NC(C)(C)C(=O)NC/C=C/C[NH2+]CC(N)=O ZINC001274448716 782148648 /nfs/dbraw/zinc/14/86/48/782148648.db2.gz UYLYGTAEPIKFRW-SNAWJCMRSA-N 1 2 270.333 -1.352 20 0 CAADLO O=C(Cn1cnnn1)N1CCC(O)(C[NH2+]CCCO)CC1 ZINC001274493238 782148333 /nfs/dbraw/zinc/14/83/33/782148333.db2.gz BOUFDPWCOBBCBM-UHFFFAOYSA-N 1 2 298.347 -2.001 20 0 CAADLO C[C@@H]1OCC[C@@H]1C(=O)NC/C=C\C[NH2+]CC(=O)NC(N)=O ZINC001274463725 782148409 /nfs/dbraw/zinc/14/84/09/782148409.db2.gz IKACGYLHROFSJZ-ADLDAWLNSA-N 1 2 298.343 -1.132 20 0 CAADLO COc1ccc(C(=O)NC/C=C/C[NH2+]CC(N)=O)nn1 ZINC001274489033 782148521 /nfs/dbraw/zinc/14/85/21/782148521.db2.gz BQGRVPDQTSXWSW-NSCUHMNNSA-N 1 2 279.300 -1.154 20 0 CAADLO Cn1[nH]c(C[NH2+]CC=CCNC(=O)c2nnc[nH]2)nc1=O ZINC001274448416 782148562 /nfs/dbraw/zinc/14/85/62/782148562.db2.gz PBIIFPSCVIAFGA-NSCUHMNNSA-N 1 2 292.303 -1.698 20 0 CAADLO Cn1cncc1CC(=O)NC/C=C\C[NH2+]CC(N)=O ZINC001274499626 782148629 /nfs/dbraw/zinc/14/86/29/782148629.db2.gz WYUYSMZMOYRAFE-IHWYPQMZSA-N 1 2 265.317 -1.290 20 0 CAADLO CC[C@@H](O)C[NH+]1CC2(C1)COCC(=O)N2[C@@H](CC)C(N)=O ZINC001274553503 782149325 /nfs/dbraw/zinc/14/93/25/782149325.db2.gz RWFCKRUTPIWHJL-MNOVXSKESA-N 1 2 299.371 -1.066 20 0 CAADLO C[N@@H+]1C[C@@H]2COC[C@H](C1)N2C(=O)c1cncc(=O)[nH]1 ZINC001274479534 782148717 /nfs/dbraw/zinc/14/87/17/782148717.db2.gz BZPMJZPGZYMEEF-DTORHVGOSA-N 1 2 264.285 -1.075 20 0 CAADLO C[C@@H](O)C[NH2+]C/C=C/CNC(=O)CCn1cnnn1 ZINC001274464885 782148746 /nfs/dbraw/zinc/14/87/46/782148746.db2.gz RGNQNAYPRINDJX-VMZHVLLKSA-N 1 2 268.321 -1.294 20 0 CAADLO CC(C)CN1C(=O)COCC12C[NH+](C[C@H](O)CO)C2 ZINC001274570268 782151131 /nfs/dbraw/zinc/15/11/31/782151131.db2.gz YGSXYIJNRUAECQ-NSHDSACASA-N 1 2 272.345 -1.091 20 0 CAADLO CCOCCN1C(=O)COCC12C[NH+](C[C@H](O)CO)C2 ZINC001274564046 782151661 /nfs/dbraw/zinc/15/16/61/782151661.db2.gz CFTPIAXQULDTRK-NSHDSACASA-N 1 2 288.344 -1.711 20 0 CAADLO Cc1nonc1C(=O)NC/C=C/C[NH2+]Cc1nnnn1C ZINC001274630815 782153108 /nfs/dbraw/zinc/15/31/08/782153108.db2.gz GOIBAMYCZPPMAA-ONEGZZNKSA-N 1 2 292.303 -1.023 20 0 CAADLO Cc1nonc1C(=O)NC/C=C\C[NH2+]Cc1nnnn1C ZINC001274630813 782153510 /nfs/dbraw/zinc/15/35/10/782153510.db2.gz GOIBAMYCZPPMAA-ARJAWSKDSA-N 1 2 292.303 -1.023 20 0 CAADLO CS(=O)(=O)CS(=O)(=O)N1CCC(F)(F)[C@H]([NH3+])C1 ZINC000717893100 782154865 /nfs/dbraw/zinc/15/48/65/782154865.db2.gz VLVYMWFZMGOPJX-ZCFIWIBFSA-N 1 2 292.329 -1.013 20 0 CAADLO C[C@H]1CN(C(=O)C[N@H+](C)CCS(N)(=O)=O)CCO1 ZINC000880081404 582268842 /nfs/dbraw/zinc/26/88/42/582268842.db2.gz OPZUPXVIQFKERE-VIFPVBQESA-N 1 2 279.362 -1.546 20 0 CAADLO C[C@H]1CN(C(=O)C[N@@H+](C)CCS(N)(=O)=O)CCO1 ZINC000880081404 582268844 /nfs/dbraw/zinc/26/88/44/582268844.db2.gz OPZUPXVIQFKERE-VIFPVBQESA-N 1 2 279.362 -1.546 20 0 CAADLO C[N@H+](CCO)CCNS(=O)(=O)N=S(C)(C)=O ZINC000885804271 582277898 /nfs/dbraw/zinc/27/78/98/582277898.db2.gz IYBZRROPCUQNOZ-UHFFFAOYSA-N 1 2 273.380 -1.528 20 0 CAADLO C[N@@H+](CCO)CCNS(=O)(=O)N=S(C)(C)=O ZINC000885804271 582277900 /nfs/dbraw/zinc/27/79/00/582277900.db2.gz IYBZRROPCUQNOZ-UHFFFAOYSA-N 1 2 273.380 -1.528 20 0 CAADLO CCNC(=O)NC(=O)C[N@H+](CCOC)[C@H](C)C(N)=O ZINC000264428630 521740842 /nfs/dbraw/zinc/74/08/42/521740842.db2.gz WKLCFWNOMJMOAX-MRVPVSSYSA-N 1 2 274.321 -1.346 20 0 CAADLO CCNC(=O)NC(=O)C[N@@H+](CCOC)[C@H](C)C(N)=O ZINC000264428630 521740843 /nfs/dbraw/zinc/74/08/43/521740843.db2.gz WKLCFWNOMJMOAX-MRVPVSSYSA-N 1 2 274.321 -1.346 20 0 CAADLO C[C@@H](C[NH+]1CCOCC1)N(C)CC(=O)N1CCNC(=O)C1 ZINC000333153463 533853758 /nfs/dbraw/zinc/85/37/58/533853758.db2.gz MBCOUMSXPDNJBD-LBPRGKRZSA-N 1 2 298.387 -1.403 20 0 CAADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)CCNC(N)=O ZINC000076281404 533859101 /nfs/dbraw/zinc/85/91/01/533859101.db2.gz FIRVCKSCKGDIFB-VIFPVBQESA-N 1 2 258.322 -1.118 20 0 CAADLO C[C@@H](CNC(=O)CN(C)S(C)(=O)=O)[NH+]1CCOCC1 ZINC000105995067 533895944 /nfs/dbraw/zinc/89/59/44/533895944.db2.gz XLHNJRXJBDYJEU-JTQLQIEISA-N 1 2 293.389 -1.285 20 0 CAADLO C[C@H]1C[N@H+](Cc2cc(=O)n(C)c(=O)n2C)C[C@H](CO)O1 ZINC000191778173 533951072 /nfs/dbraw/zinc/95/10/72/533951072.db2.gz YODQUYBKQAISHI-GXSJLCMTSA-N 1 2 283.328 -1.334 20 0 CAADLO C[C@H]1C[N@@H+](Cc2cc(=O)n(C)c(=O)n2C)C[C@H](CO)O1 ZINC000191778173 533951078 /nfs/dbraw/zinc/95/10/78/533951078.db2.gz YODQUYBKQAISHI-GXSJLCMTSA-N 1 2 283.328 -1.334 20 0 CAADLO C[C@H]1CN(S(=O)(=O)N(C)C)CC[N@@H+]1CCO ZINC000188726997 533965956 /nfs/dbraw/zinc/96/59/56/533965956.db2.gz OJPPPIPDBKWGGG-VIFPVBQESA-N 1 2 251.352 -1.209 20 0 CAADLO C[C@H]1CN(S(=O)(=O)N(C)C)CC[N@H+]1CCO ZINC000188726997 533965964 /nfs/dbraw/zinc/96/59/64/533965964.db2.gz OJPPPIPDBKWGGG-VIFPVBQESA-N 1 2 251.352 -1.209 20 0 CAADLO COC(=O)N1CC[NH+](Cc2cc(=O)n(C)c(=O)n2C)CC1 ZINC000490687038 534003267 /nfs/dbraw/zinc/00/32/67/534003267.db2.gz BMMFLIWHXFQBJU-UHFFFAOYSA-N 1 2 296.327 -1.032 20 0 CAADLO COC(=O)NCC(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000493203969 534023001 /nfs/dbraw/zinc/02/30/01/534023001.db2.gz ZOLTZODHHAANKQ-JTQLQIEISA-N 1 2 289.332 -1.506 20 0 CAADLO COC(=O)NCC(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000178734066 534036841 /nfs/dbraw/zinc/03/68/41/534036841.db2.gz JYBDXACCSUWIQA-VIFPVBQESA-N 1 2 256.306 -1.542 20 0 CAADLO C[C@H](O)C(=O)N1CC[NH+](C[C@H]2CN(C)C(=O)O2)CC1 ZINC000495596489 534039735 /nfs/dbraw/zinc/03/97/35/534039735.db2.gz RQMADNDMNXCONG-VHSXEESVSA-N 1 2 271.317 -1.038 20 0 CAADLO C[C@H](O)C(=O)N1CC[NH+]([C@@H](C)C(=O)N(C)C)CC1 ZINC000152949420 534040457 /nfs/dbraw/zinc/04/04/57/534040457.db2.gz WATTXMMLRDKCGA-UWVGGRQHSA-N 1 2 257.334 -1.012 20 0 CAADLO C[C@H](C[NH+]1CCOCC1)NC(=O)[C@@H](C)NC(N)=O ZINC000194605543 534063774 /nfs/dbraw/zinc/06/37/74/534063774.db2.gz WVXGKXFJPQJSJW-RKDXNWHRSA-N 1 2 258.322 -1.120 20 0 CAADLO COC(=O)NCCC(=O)NCCC[N@@H+]1CCNC(=O)C1 ZINC000494033294 534064929 /nfs/dbraw/zinc/06/49/29/534064929.db2.gz MIXOXYPZIOELPF-UHFFFAOYSA-N 1 2 286.332 -1.329 20 0 CAADLO C[C@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1COC(=O)N1 ZINC000495597414 534064831 /nfs/dbraw/zinc/06/48/31/534064831.db2.gz NFPOPJOSHBXLHB-BDAKNGLRSA-N 1 2 257.290 -1.068 20 0 CAADLO COC(=O)NCCC(=O)NCCC[N@H+]1CCNC(=O)C1 ZINC000494033294 534064939 /nfs/dbraw/zinc/06/49/39/534064939.db2.gz MIXOXYPZIOELPF-UHFFFAOYSA-N 1 2 286.332 -1.329 20 0 CAADLO COC(=O)NCCC(=O)N[C@@H](CO)C[NH+]1CCOCC1 ZINC000495612666 534072824 /nfs/dbraw/zinc/07/28/24/534072824.db2.gz NOPVRFRFIXGQIN-SNVBAGLBSA-N 1 2 289.332 -1.458 20 0 CAADLO C[C@H]1[C@@H](N2CCOCC2)CC[N@@H+]1Cc1nc(N)nc(N)n1 ZINC000351980872 534140980 /nfs/dbraw/zinc/14/09/80/534140980.db2.gz FTMJVJSTQOPVMZ-UWVGGRQHSA-N 1 2 293.375 -1.008 20 0 CAADLO C[C@H]1[C@@H](N2CCOCC2)CC[N@H+]1Cc1nc(N)nc(N)n1 ZINC000351980872 534140988 /nfs/dbraw/zinc/14/09/88/534140988.db2.gz FTMJVJSTQOPVMZ-UWVGGRQHSA-N 1 2 293.375 -1.008 20 0 CAADLO C[C@@H]1OC(=O)N[C@H]1C(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000496206826 534142452 /nfs/dbraw/zinc/14/24/52/534142452.db2.gz OFALJMMMYMBZCF-DTWKUNHWSA-N 1 2 298.343 -1.109 20 0 CAADLO C[C@@H]1OC(=O)N[C@H]1C(=O)NCC[NH+]1CCOCC1 ZINC000495856680 534143911 /nfs/dbraw/zinc/14/39/11/534143911.db2.gz SYRGWBDZBGWLQY-DTWKUNHWSA-N 1 2 257.290 -1.068 20 0 CAADLO COC(=O)N[C@@H](C)C(=O)N[C@H](CO)C[NH+]1CCOCC1 ZINC000495745242 534159399 /nfs/dbraw/zinc/15/93/99/534159399.db2.gz JXRUFXUIMQVXAA-UWVGGRQHSA-N 1 2 289.332 -1.460 20 0 CAADLO COC(=O)[C@@H](C)CC(=O)N[C@@H](CO)C[NH+]1CCOCC1 ZINC000425290689 534205448 /nfs/dbraw/zinc/20/54/48/534205448.db2.gz PEUSSCHWEHDPPR-WDEREUQCSA-N 1 2 288.344 -1.005 20 0 CAADLO C[C@@H]1[C@@H](CO)CCN1C(=O)C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000358136031 534238936 /nfs/dbraw/zinc/23/89/36/534238936.db2.gz CVFSOXVENFNCCB-IJLUTSLNSA-N 1 2 299.371 -1.338 20 0 CAADLO C[C@@H]1[C@@H](CO)CCN1C(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000358136031 534238937 /nfs/dbraw/zinc/23/89/37/534238937.db2.gz CVFSOXVENFNCCB-IJLUTSLNSA-N 1 2 299.371 -1.338 20 0 CAADLO COC(=O)[C@@H](CC(C)C)NC(=O)C[N@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000093092536 534243313 /nfs/dbraw/zinc/24/33/13/534243313.db2.gz HRIHQPKLBHTZBU-MXWKQRLJSA-N 1 2 288.344 -1.272 20 0 CAADLO COC(=O)[C@@H](CC(C)C)NC(=O)C[N@@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000093092536 534243315 /nfs/dbraw/zinc/24/33/15/534243315.db2.gz HRIHQPKLBHTZBU-MXWKQRLJSA-N 1 2 288.344 -1.272 20 0 CAADLO COC(=O)c1cccc(NC(=O)C[NH+]2C[C@@H](O)[C@H](O)C2)n1 ZINC000444694015 534271807 /nfs/dbraw/zinc/27/18/07/534271807.db2.gz PLUJATFKNWQRNC-NXEZZACHSA-N 1 2 295.295 -1.156 20 0 CAADLO COC(=O)[C@@H](NC(=O)C[N@@H+]1CCOC[C@@H](O)C1)C(C)C ZINC000451233765 534271192 /nfs/dbraw/zinc/27/11/92/534271192.db2.gz IVFMNEQJFGQGLX-JQWIXIFHSA-N 1 2 288.344 -1.007 20 0 CAADLO COC(=O)[C@@H](NC(=O)C[N@H+]1CCOC[C@@H](O)C1)C(C)C ZINC000451233765 534271194 /nfs/dbraw/zinc/27/11/94/534271194.db2.gz IVFMNEQJFGQGLX-JQWIXIFHSA-N 1 2 288.344 -1.007 20 0 CAADLO C[C@@H](Cn1cncn1)NC(=O)CN1CC[NH2+]CC1=O ZINC000429688564 534272608 /nfs/dbraw/zinc/27/26/08/534272608.db2.gz XGHOYZNLZRYMRI-VIFPVBQESA-N 1 2 266.305 -1.785 20 0 CAADLO CCOCCC(=O)NC1(CO)CC[NH+](CC(N)=O)CC1 ZINC001274897597 782160829 /nfs/dbraw/zinc/16/08/29/782160829.db2.gz RNDCDCRRJXVNCD-UHFFFAOYSA-N 1 2 287.360 -1.159 20 0 CAADLO C[C@@H]1CN(C(=O)C(=O)NCC(F)F)CC[N@@H+]1CCO ZINC000444371355 534291417 /nfs/dbraw/zinc/29/14/17/534291417.db2.gz GSFXVCDZMDISRG-MRVPVSSYSA-N 1 2 279.287 -1.107 20 0 CAADLO C[C@@H]1CN(C(=O)C(=O)NCC(F)F)CC[N@H+]1CCO ZINC000444371355 534291418 /nfs/dbraw/zinc/29/14/18/534291418.db2.gz GSFXVCDZMDISRG-MRVPVSSYSA-N 1 2 279.287 -1.107 20 0 CAADLO C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2C[N@H+](C)CCO2)C[C@@H]1CO ZINC000358156331 534293263 /nfs/dbraw/zinc/29/32/63/534293263.db2.gz PXZZWBYERVRSRR-IJLUTSLNSA-N 1 2 299.371 -1.480 20 0 CAADLO C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2C[N@@H+](C)CCO2)C[C@@H]1CO ZINC000358156331 534293264 /nfs/dbraw/zinc/29/32/64/534293264.db2.gz PXZZWBYERVRSRR-IJLUTSLNSA-N 1 2 299.371 -1.480 20 0 CAADLO C[C@@H]1CN(C(=O)C(=O)NC[C@H]2C[N@H+](C)CCO2)C[C@@H]1CO ZINC000358156359 534293916 /nfs/dbraw/zinc/29/39/16/534293916.db2.gz PXZZWBYERVRSRR-UTUOFQBUSA-N 1 2 299.371 -1.480 20 0 CAADLO C[C@@H]1CN(C(=O)C(=O)NC[C@H]2C[N@@H+](C)CCO2)C[C@@H]1CO ZINC000358156359 534293917 /nfs/dbraw/zinc/29/39/17/534293917.db2.gz PXZZWBYERVRSRR-UTUOFQBUSA-N 1 2 299.371 -1.480 20 0 CAADLO CCc1noc(C[NH2+]C[C@@H](C)NC(=O)C(N)=O)n1 ZINC001274900627 782160884 /nfs/dbraw/zinc/16/08/84/782160884.db2.gz HCDQYZZVPXPMAV-ZCFIWIBFSA-N 1 2 255.278 -1.288 20 0 CAADLO C[C@@H]1CN(C(=O)C(=O)Nc2ccnn2C)CC[N@@H+]1CCO ZINC000427403266 534298053 /nfs/dbraw/zinc/29/80/53/534298053.db2.gz GAVRATXUCWKEMS-SNVBAGLBSA-N 1 2 295.343 -1.116 20 0 CAADLO C[C@@H]1CN(C(=O)C(=O)Nc2ccnn2C)CC[N@H+]1CCO ZINC000427403266 534298055 /nfs/dbraw/zinc/29/80/55/534298055.db2.gz GAVRATXUCWKEMS-SNVBAGLBSA-N 1 2 295.343 -1.116 20 0 CAADLO C[C@@H]1CN(C(=O)NCC[NH+]2CCOCC2)CC(=O)N1 ZINC000333709345 534312308 /nfs/dbraw/zinc/31/23/08/534312308.db2.gz GDOIVNXGBIAZEB-SNVBAGLBSA-N 1 2 270.333 -1.152 20 0 CAADLO NC(=O)CC[C@H]1CCCN(C(=O)CN2CC[NH2+]CC2=O)C1 ZINC000429915423 534319537 /nfs/dbraw/zinc/31/95/37/534319537.db2.gz BLQPKKAZIUIGOY-LLVKDONJSA-N 1 2 296.371 -1.078 20 0 CAADLO NC(=O)NC(=O)CC[N@@H+]1CCN(C2CC2)C(=O)C1 ZINC000331427443 534382732 /nfs/dbraw/zinc/38/27/32/534382732.db2.gz FXAAEMXAVFLVAH-UHFFFAOYSA-N 1 2 254.290 -1.122 20 0 CAADLO NC(=O)NC(=O)CC[N@H+]1CCN(C2CC2)C(=O)C1 ZINC000331427443 534382735 /nfs/dbraw/zinc/38/27/35/534382735.db2.gz FXAAEMXAVFLVAH-UHFFFAOYSA-N 1 2 254.290 -1.122 20 0 CAADLO NC(=O)NC(=O)C[N@@H+]1CCC[C@@H]1C(=O)NC1CC1 ZINC000049332670 534386417 /nfs/dbraw/zinc/38/64/17/534386417.db2.gz ACVZUAZSFQVBIM-MRVPVSSYSA-N 1 2 254.290 -1.076 20 0 CAADLO NC(=O)NC(=O)C[N@H+]1CCC[C@@H]1C(=O)NC1CC1 ZINC000049332670 534386427 /nfs/dbraw/zinc/38/64/27/534386427.db2.gz ACVZUAZSFQVBIM-MRVPVSSYSA-N 1 2 254.290 -1.076 20 0 CAADLO O[C@@H]1CN(c2cc(N3CCOCC3)[nH+]cn2)C[C@H]1O ZINC000433809705 534416693 /nfs/dbraw/zinc/41/66/93/534416693.db2.gz WLGQRBSBMDWIDR-NXEZZACHSA-N 1 2 266.301 -1.145 20 0 CAADLO O[C@@H]1CN(c2cc(N3CCOCC3)nc[nH+]2)C[C@H]1O ZINC000433809705 534416705 /nfs/dbraw/zinc/41/67/05/534416705.db2.gz WLGQRBSBMDWIDR-NXEZZACHSA-N 1 2 266.301 -1.145 20 0 CAADLO Cc1nc(N2CC[C@@](O)(C(N)=O)C2)nc(N(C)C)[nH+]1 ZINC000471814506 534434280 /nfs/dbraw/zinc/43/42/80/534434280.db2.gz CXNGOBLDJLUXMX-NSHDSACASA-N 1 2 266.305 -1.327 20 0 CAADLO Cc1nc(N(C)C)nc(N2CC[C@@](O)(C(N)=O)C2)[nH+]1 ZINC000471814506 534434292 /nfs/dbraw/zinc/43/42/92/534434292.db2.gz CXNGOBLDJLUXMX-NSHDSACASA-N 1 2 266.305 -1.327 20 0 CAADLO NC(=O)[C@@H]1CC[C@@H](CNC(=O)CN2CC[NH2+]CC2=O)O1 ZINC000430855000 534435465 /nfs/dbraw/zinc/43/54/65/534435465.db2.gz PNWQRBJIZZCERJ-IUCAKERBSA-N 1 2 284.316 -2.433 20 0 CAADLO CC(=O)NCCNC(=O)NCC[NH+]1CCOCC1 ZINC000047617946 519665477 /nfs/dbraw/zinc/66/54/77/519665477.db2.gz GKDIJMPVRYEGIR-UHFFFAOYSA-N 1 2 258.322 -1.246 20 0 CAADLO CC(C)N1C(=O)C[C@@H](NC(=O)[C@H]2COCC[NH2+]2)C1=O ZINC000262648396 519665812 /nfs/dbraw/zinc/66/58/12/519665812.db2.gz VSXQSNNUSHTALC-RKDXNWHRSA-N 1 2 269.301 -1.373 20 0 CAADLO CC(C)N1C(=O)C[C@H](NC(=O)[C@@H]2COCC[NH2+]2)C1=O ZINC000262648394 519667025 /nfs/dbraw/zinc/66/70/25/519667025.db2.gz VSXQSNNUSHTALC-IUCAKERBSA-N 1 2 269.301 -1.373 20 0 CAADLO CC(C)N1C(=O)C[C@H](NC(=O)[C@H]2COCC[NH2+]2)C1=O ZINC000262648392 519667230 /nfs/dbraw/zinc/66/72/30/519667230.db2.gz VSXQSNNUSHTALC-DTWKUNHWSA-N 1 2 269.301 -1.373 20 0 CAADLO CC(C)NC(=O)C[N@H+](C)CC(=O)N1CCNC1=O ZINC000072711922 519705485 /nfs/dbraw/zinc/70/54/85/519705485.db2.gz SOWAMFFYCKJDOW-UHFFFAOYSA-N 1 2 256.306 -1.005 20 0 CAADLO CC(C)NC(=O)C[N@@H+](C)CC(=O)N1CCNC1=O ZINC000072711922 519705488 /nfs/dbraw/zinc/70/54/88/519705488.db2.gz SOWAMFFYCKJDOW-UHFFFAOYSA-N 1 2 256.306 -1.005 20 0 CAADLO CC(C)[C@@H]1C(=O)NCC[N@H+]1CCN1C(=O)CNC1=O ZINC000066498813 519801678 /nfs/dbraw/zinc/80/16/78/519801678.db2.gz XNMPBDXYXMTRDK-SNVBAGLBSA-N 1 2 268.317 -1.005 20 0 CAADLO CC(C)[C@@H]1C(=O)NCC[N@@H+]1CCN1C(=O)CNC1=O ZINC000066498813 519801679 /nfs/dbraw/zinc/80/16/79/519801679.db2.gz XNMPBDXYXMTRDK-SNVBAGLBSA-N 1 2 268.317 -1.005 20 0 CAADLO NC(=O)[C@H]1C[N@H+](CCn2nc3ccccn3c2=O)CCO1 ZINC000051104543 534461420 /nfs/dbraw/zinc/46/14/20/534461420.db2.gz KKBJRPZGLFUIQJ-SNVBAGLBSA-N 1 2 291.311 -1.318 20 0 CAADLO NC(=O)[C@H]1C[N@@H+](CCn2nc3ccccn3c2=O)CCO1 ZINC000051104543 534461429 /nfs/dbraw/zinc/46/14/29/534461429.db2.gz KKBJRPZGLFUIQJ-SNVBAGLBSA-N 1 2 291.311 -1.318 20 0 CAADLO Cc1noc([C@H](C)NC(=O)CN2CC[NH2+]CC2=O)n1 ZINC000430274254 534471395 /nfs/dbraw/zinc/47/13/95/534471395.db2.gz QRTXRRCADFXJEH-ZETCQYMHSA-N 1 2 267.289 -1.013 20 0 CAADLO CCN(C)C(=O)CNC(=O)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000340651134 520155362 /nfs/dbraw/zinc/15/53/62/520155362.db2.gz OQCXFFKUQMODCA-JTQLQIEISA-N 1 2 295.343 -1.018 20 0 CAADLO NC(=O)c1ccc(C(=O)N2CC[NH+](CCO)CC2)cn1 ZINC000170225312 534476255 /nfs/dbraw/zinc/47/62/55/534476255.db2.gz GIKQOCJKZGCYAM-UHFFFAOYSA-N 1 2 278.312 -1.069 20 0 CAADLO NC(=O)c1ccc(C(=O)NCCC[N@@H+]2CCNC(=O)C2)o1 ZINC000344655793 534477018 /nfs/dbraw/zinc/47/70/18/534477018.db2.gz LOPBJQQYXLHZTE-UHFFFAOYSA-N 1 2 294.311 -1.070 20 0 CAADLO NC(=O)c1ccc(C(=O)NCCC[N@H+]2CCNC(=O)C2)o1 ZINC000344655793 534477025 /nfs/dbraw/zinc/47/70/25/534477025.db2.gz LOPBJQQYXLHZTE-UHFFFAOYSA-N 1 2 294.311 -1.070 20 0 CAADLO NC(=O)c1ccc(C(=O)NC[C@@H]2C[NH+]3CCN2CC3)nc1 ZINC000178787975 534479630 /nfs/dbraw/zinc/47/96/30/534479630.db2.gz HDECSCCXJUCENA-LLVKDONJSA-N 1 2 289.339 -1.090 20 0 CAADLO NC(=O)c1ccc(C(=O)NC[C@H]2C[NH+]3CCN2CC3)cn1 ZINC000178969683 534478851 /nfs/dbraw/zinc/47/88/51/534478851.db2.gz BVHHIGNLWSIMOJ-NSHDSACASA-N 1 2 289.339 -1.090 20 0 CAADLO CCOC(=O)CN(C)C(=O)C[N@@H+]1CCN2C(=O)NC[C@H]2C1 ZINC000365888732 520737752 /nfs/dbraw/zinc/73/77/52/520737752.db2.gz AYCHDXBWSISQLN-JTQLQIEISA-N 1 2 298.343 -1.283 20 0 CAADLO CCOC(=O)CN(C)C(=O)C[N@H+]1CCN2C(=O)NC[C@H]2C1 ZINC000365888732 520737763 /nfs/dbraw/zinc/73/77/63/520737763.db2.gz AYCHDXBWSISQLN-JTQLQIEISA-N 1 2 298.343 -1.283 20 0 CAADLO CCC[C@@H](O)CNc1nc(NC(C)C)nc(NCCO)[nH+]1 ZINC000340014403 520797014 /nfs/dbraw/zinc/79/70/14/520797014.db2.gz KWHBIQBXOJTSOY-SNVBAGLBSA-N 1 2 298.391 -1.065 20 0 CAADLO CCC[C@@H](O)CNc1nc(NCCO)[nH+]c(NC(C)C)n1 ZINC000340014403 520797019 /nfs/dbraw/zinc/79/70/19/520797019.db2.gz KWHBIQBXOJTSOY-SNVBAGLBSA-N 1 2 298.391 -1.065 20 0 CAADLO CCC[C@@H](O)CNc1nc(NCCO)nc(NC(C)C)[nH+]1 ZINC000340014403 520797023 /nfs/dbraw/zinc/79/70/23/520797023.db2.gz KWHBIQBXOJTSOY-SNVBAGLBSA-N 1 2 298.391 -1.065 20 0 CAADLO CCOC(=O)C[C@@H](O)C(=O)N1CC[NH+](CCO)CC1 ZINC000339248413 520845737 /nfs/dbraw/zinc/84/57/37/520845737.db2.gz KMNIUDYKBCYXCH-SNVBAGLBSA-N 1 2 274.317 -1.563 20 0 CAADLO O=C(CN1CCOCC1=O)NCCC[N@@H+]1CCNC(=O)C1 ZINC000344494208 534542044 /nfs/dbraw/zinc/54/20/44/534542044.db2.gz GPGFSTWHOZTADF-UHFFFAOYSA-N 1 2 298.343 -2.217 20 0 CAADLO O=C(CN1CCOCC1=O)NCCC[N@H+]1CCNC(=O)C1 ZINC000344494208 534542052 /nfs/dbraw/zinc/54/20/52/534542052.db2.gz GPGFSTWHOZTADF-UHFFFAOYSA-N 1 2 298.343 -2.217 20 0 CAADLO CC[NH+]1CCN(C(=O)C(=O)NCCOCCOC)CC1 ZINC000340705235 521660531 /nfs/dbraw/zinc/66/05/31/521660531.db2.gz HQEBESFFVLUFTF-UHFFFAOYSA-N 1 2 287.360 -1.070 20 0 CAADLO CCN1CCN(C(=O)C(=O)NCCn2cc[nH+]c2)CC1=O ZINC000284173612 521660680 /nfs/dbraw/zinc/66/06/80/521660680.db2.gz ZEXLCHNCYLZPBB-UHFFFAOYSA-N 1 2 293.327 -1.310 20 0 CAADLO CCS(=O)(=O)NCC(=O)NCCn1cc[nH+]c1 ZINC000340070613 521670722 /nfs/dbraw/zinc/67/07/22/521670722.db2.gz IXFLENSVKJKXEL-UHFFFAOYSA-N 1 2 260.319 -1.061 20 0 CAADLO CCNC(=O)C[N@H+](CC)CC(=O)NCC(=O)OC ZINC000263833855 521736697 /nfs/dbraw/zinc/73/66/97/521736697.db2.gz DVFZWKSPJANBLJ-UHFFFAOYSA-N 1 2 259.306 -1.266 20 0 CAADLO CCNC(=O)C[N@@H+](CC)CC(=O)NCC(=O)OC ZINC000263833855 521736698 /nfs/dbraw/zinc/73/66/98/521736698.db2.gz DVFZWKSPJANBLJ-UHFFFAOYSA-N 1 2 259.306 -1.266 20 0 CAADLO CCNC(=O)N1CC[NH+](CCN2C(=O)CNC2=O)CC1 ZINC000264716714 521739813 /nfs/dbraw/zinc/73/98/13/521739813.db2.gz NWETXGZAESLSGA-UHFFFAOYSA-N 1 2 283.332 -1.115 20 0 CAADLO CCNC(=O)NC(=O)C[N@H+](C)[C@H]1CCN(C)C1=O ZINC000265674388 521740796 /nfs/dbraw/zinc/74/07/96/521740796.db2.gz YOVLFMYUYOGYIG-QMMMGPOBSA-N 1 2 256.306 -1.005 20 0 CAADLO CCNC(=O)NC(=O)C[N@@H+](C)[C@H]1CCN(C)C1=O ZINC000265674388 521740797 /nfs/dbraw/zinc/74/07/97/521740797.db2.gz YOVLFMYUYOGYIG-QMMMGPOBSA-N 1 2 256.306 -1.005 20 0 CAADLO CCNC(=O)NC(=O)C[N@H+](C)[C@@H]1CCN(C)C1=O ZINC000265674386 521740886 /nfs/dbraw/zinc/74/08/86/521740886.db2.gz YOVLFMYUYOGYIG-MRVPVSSYSA-N 1 2 256.306 -1.005 20 0 CAADLO CCNC(=O)NC(=O)C[N@@H+](C)[C@@H]1CCN(C)C1=O ZINC000265674386 521740887 /nfs/dbraw/zinc/74/08/87/521740887.db2.gz YOVLFMYUYOGYIG-MRVPVSSYSA-N 1 2 256.306 -1.005 20 0 CAADLO CCNC(=O)NC(=O)[C@H](C)[N@H+](C)[C@H](COC)C(N)=O ZINC000339359988 521741734 /nfs/dbraw/zinc/74/17/34/521741734.db2.gz YELQTEJNBMKARJ-JGVFFNPUSA-N 1 2 274.321 -1.347 20 0 CAADLO CCNC(=O)NC(=O)[C@H](C)[N@@H+](C)[C@H](COC)C(N)=O ZINC000339359988 521741735 /nfs/dbraw/zinc/74/17/35/521741735.db2.gz YELQTEJNBMKARJ-JGVFFNPUSA-N 1 2 274.321 -1.347 20 0 CAADLO CCNC(=O)[C@@H]([NH2+]Cc1nc(N)nc(N)n1)C(C)C ZINC000339320649 521744407 /nfs/dbraw/zinc/74/44/07/521744407.db2.gz YMIBGDHPXNJDFQ-QMMMGPOBSA-N 1 2 267.337 -1.053 20 0 CAADLO C[C@H](C[NH2+]Cc1cnn(C)n1)NC(=O)c1nnc[nH]1 ZINC001274963060 782162731 /nfs/dbraw/zinc/16/27/31/782162731.db2.gz KVNLYASODJQHNO-SSDOTTSWSA-N 1 2 264.293 -1.159 20 0 CAADLO O=C(NC[C@@H]1C[N@@H+](C2CC2)CCO1)NC(CO)CO ZINC000494221238 534601239 /nfs/dbraw/zinc/60/12/39/534601239.db2.gz WIKYXNDOBLZNSG-LLVKDONJSA-N 1 2 273.333 -1.498 20 0 CAADLO O=C(NC[C@@H]1C[N@H+](C2CC2)CCO1)NC(CO)CO ZINC000494221238 534601242 /nfs/dbraw/zinc/60/12/42/534601242.db2.gz WIKYXNDOBLZNSG-LLVKDONJSA-N 1 2 273.333 -1.498 20 0 CAADLO O=C(NC[C@@H]1C[NH+]2CCN1CC2)[C@@H]1CCNC(=O)C1 ZINC000178731939 534601812 /nfs/dbraw/zinc/60/18/12/534601812.db2.gz AXNZMTWOAKYNID-GHMZBOCLSA-N 1 2 266.345 -1.371 20 0 CAADLO O=C(NC[C@@H]1C[NH+]2CCN1CC2)C1=COCCO1 ZINC000178621707 534602412 /nfs/dbraw/zinc/60/24/12/534602412.db2.gz NGDCWBFELNHFEF-SNVBAGLBSA-N 1 2 253.302 -1.009 20 0 CAADLO CN(C)c1nc(C(=O)N2CC[NH+](CCO)CC2)cc(=O)[nH]1 ZINC000338719114 522330315 /nfs/dbraw/zinc/33/03/15/522330315.db2.gz DFUHTDZTRCGJMI-UHFFFAOYSA-N 1 2 295.343 -1.002 20 0 CAADLO COC[C@H](C(N)=O)[N@H+](C)CCn1nc2ccccn2c1=O ZINC000339367331 522541084 /nfs/dbraw/zinc/54/10/84/522541084.db2.gz RFNRFQUNOMIJNK-SNVBAGLBSA-N 1 2 293.327 -1.072 20 0 CAADLO COC[C@H](C(N)=O)[N@@H+](C)CCn1nc2ccccn2c1=O ZINC000339367331 522541090 /nfs/dbraw/zinc/54/10/90/522541090.db2.gz RFNRFQUNOMIJNK-SNVBAGLBSA-N 1 2 293.327 -1.072 20 0 CAADLO COCC(=O)N(C)CC(=O)NCC[NH+]1CCOCC1 ZINC000340035164 522720916 /nfs/dbraw/zinc/72/09/16/522720916.db2.gz NMQVVLUJSFGDRP-UHFFFAOYSA-N 1 2 273.333 -1.460 20 0 CAADLO COCC(=O)N(C)CC(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000340069039 522725503 /nfs/dbraw/zinc/72/55/03/522725503.db2.gz IGKGYAMJGLXYDI-LLVKDONJSA-N 1 2 287.360 -1.072 20 0 CAADLO CN(CC[NH+]1CCOCC1)C(=O)CN1CC(=O)NC1=O ZINC000264891722 522836941 /nfs/dbraw/zinc/83/69/41/522836941.db2.gz VLRWIFFCQFZPGP-UHFFFAOYSA-N 1 2 284.316 -1.671 20 0 CAADLO Cn1c(=O)[nH]cc(C(=O)NCC[NH+]2CCOCC2)c1=O ZINC000333084732 534702735 /nfs/dbraw/zinc/70/27/35/534702735.db2.gz XZQXZVMZFBWOHK-UHFFFAOYSA-N 1 2 282.300 -1.452 20 0 CAADLO COC(=O)[C@@H](C)CC(=O)NC[C@H](O)C[NH+]1CCOCC1 ZINC000340062693 523487716 /nfs/dbraw/zinc/48/77/16/523487716.db2.gz MTHMTCHCSHERLF-QWRGUYRKSA-N 1 2 288.344 -1.005 20 0 CAADLO COc1ccc(C(=O)NC(=O)C[NH+]2C[C@H](O)[C@@H](O)C2)cc1 ZINC000278802675 523678812 /nfs/dbraw/zinc/67/88/12/523678812.db2.gz OTAHOIMEFLNRSZ-RYUDHWBXSA-N 1 2 294.307 -1.011 20 0 CAADLO COC(=O)[C@@H]1C[N@H+](CCN2CCNC2=O)CCO1 ZINC000157197414 523745326 /nfs/dbraw/zinc/74/53/26/523745326.db2.gz HGZRIUOQFAUREA-VIFPVBQESA-N 1 2 257.290 -1.115 20 0 CAADLO COC(=O)[C@@H]1C[N@@H+](CCN2CCNC2=O)CCO1 ZINC000157197414 523745331 /nfs/dbraw/zinc/74/53/31/523745331.db2.gz HGZRIUOQFAUREA-VIFPVBQESA-N 1 2 257.290 -1.115 20 0 CAADLO COC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H](CO)C[NH+]1CCOCC1 ZINC000339213039 523779313 /nfs/dbraw/zinc/77/93/13/523779313.db2.gz OCXVWFZGPYEBPP-OUAUKWLOSA-N 1 2 286.328 -1.395 20 0 CAADLO COC(=O)[C@H](CC(C)C)NC(=O)C[NH+]1C[C@H](O)[C@@H](O)C1 ZINC000234564597 523893901 /nfs/dbraw/zinc/89/39/01/523893901.db2.gz HRIHQPKLBHTZBU-DCAQKATOSA-N 1 2 288.344 -1.272 20 0 CAADLO CN1CCO[C@H]2C[N@H+](CC(=O)N3CCNC(=O)C3)C[C@@H]21 ZINC000121151246 523952937 /nfs/dbraw/zinc/95/29/37/523952937.db2.gz XNAHXYVMWMEEIS-QWRGUYRKSA-N 1 2 282.344 -2.040 20 0 CAADLO CN1CCO[C@H]2C[N@@H+](CC(=O)N3CCNC(=O)C3)C[C@@H]21 ZINC000121151246 523952944 /nfs/dbraw/zinc/95/29/44/523952944.db2.gz XNAHXYVMWMEEIS-QWRGUYRKSA-N 1 2 282.344 -2.040 20 0 CAADLO C[N@@H+]1CCO[C@H]2CN(CC(=O)N3CCNC(=O)C3)C[C@@H]21 ZINC000121151246 523952951 /nfs/dbraw/zinc/95/29/51/523952951.db2.gz XNAHXYVMWMEEIS-QWRGUYRKSA-N 1 2 282.344 -2.040 20 0 CAADLO C[N@H+]1CCO[C@H]2CN(CC(=O)N3CCNC(=O)C3)C[C@@H]21 ZINC000121151246 523952956 /nfs/dbraw/zinc/95/29/56/523952956.db2.gz XNAHXYVMWMEEIS-QWRGUYRKSA-N 1 2 282.344 -2.040 20 0 CAADLO COCCOCCC(=O)N[C@@H](CO)C[NH+]1CCOCC1 ZINC000339211083 523985665 /nfs/dbraw/zinc/98/56/65/523985665.db2.gz AGIYPYLHWSXPON-GFCCVEGCSA-N 1 2 290.360 -1.151 20 0 CAADLO CNc1nc(N(C)[C@H](C)CO)[nH+]c(N(C)[C@H](C)CO)n1 ZINC000338488464 524038581 /nfs/dbraw/zinc/03/85/81/524038581.db2.gz XNFRSJBLUJIZNU-RKDXNWHRSA-N 1 2 284.364 -1.031 20 0 CAADLO CNc1nc(N(C)[C@@H](C)CO)[nH+]c(N(C)[C@@H](C)CO)n1 ZINC000338488463 524038824 /nfs/dbraw/zinc/03/88/24/524038824.db2.gz XNFRSJBLUJIZNU-IUCAKERBSA-N 1 2 284.364 -1.031 20 0 CAADLO CNC(=O)C1(C(=O)N[C@H](CO)C[NH+]2CCOCC2)CC1 ZINC000339212956 524046587 /nfs/dbraw/zinc/04/65/87/524046587.db2.gz FLVMMRFDICQPDX-JTQLQIEISA-N 1 2 285.344 -1.678 20 0 CAADLO C[C@H](C[NH+]1CCOCC1)NC(=O)C(=O)N1CCC[C@@H](O)C1 ZINC000339320289 524352607 /nfs/dbraw/zinc/35/26/07/524352607.db2.gz MFVVGUFWDCBWKZ-VXGBXAGGSA-N 1 2 299.371 -1.193 20 0 CAADLO O=C(NC1CC1)C(=O)N1CC[NH+](CCCO)CC1 ZINC000051915551 534789096 /nfs/dbraw/zinc/78/90/96/534789096.db2.gz ZCISUOQWBNGFCX-UHFFFAOYSA-N 1 2 255.318 -1.208 20 0 CAADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)C(=O)N1CCOCC1 ZINC000339321151 524622820 /nfs/dbraw/zinc/62/28/20/524622820.db2.gz RZOMQGMKPRSLCN-NSHDSACASA-N 1 2 285.344 -1.318 20 0 CAADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)C(=O)N1CCC[C@H](O)C1 ZINC000339320288 524623869 /nfs/dbraw/zinc/62/38/69/524623869.db2.gz MFVVGUFWDCBWKZ-RYUDHWBXSA-N 1 2 299.371 -1.193 20 0 CAADLO C[C@@H](CNC(=O)C(=O)NC[C@@H]1CCOC1)[NH+]1CCOCC1 ZINC000339340108 524639160 /nfs/dbraw/zinc/63/91/60/524639160.db2.gz MJXAHOBPGWUJCD-RYUDHWBXSA-N 1 2 299.371 -1.024 20 0 CAADLO C[C@@H](CNC(=O)CN1CC(=O)NC1=O)[NH+]1CCOCC1 ZINC000264669419 524651788 /nfs/dbraw/zinc/65/17/88/524651788.db2.gz IZFADKHGMRIGTC-VIFPVBQESA-N 1 2 284.316 -1.625 20 0 CAADLO C[C@H]1COCC[N@@H+]1CCNC(=O)C(=O)NC[C@H]1CCOC1 ZINC000339340259 524719293 /nfs/dbraw/zinc/71/92/93/524719293.db2.gz GFQWZQSGLHDKCJ-NWDGAFQWSA-N 1 2 299.371 -1.024 20 0 CAADLO C[C@H]1COCC[N@H+]1CCNC(=O)C(=O)NC[C@H]1CCOC1 ZINC000339340259 524719309 /nfs/dbraw/zinc/71/93/09/524719309.db2.gz GFQWZQSGLHDKCJ-NWDGAFQWSA-N 1 2 299.371 -1.024 20 0 CAADLO C[C@H]1C[C@@H](O)C[N@@H+]1CC(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000340924222 524820495 /nfs/dbraw/zinc/82/04/95/524820495.db2.gz IBTAXLFYIMJYDU-JGVFFNPUSA-N 1 2 296.327 -1.696 20 0 CAADLO C[C@H]1C[C@@H](O)C[N@H+]1CC(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000340924222 524820511 /nfs/dbraw/zinc/82/05/11/524820511.db2.gz IBTAXLFYIMJYDU-JGVFFNPUSA-N 1 2 296.327 -1.696 20 0 CAADLO C[C@H]1C[C@H](O)C[N@@H+]1CC(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000340924224 524934702 /nfs/dbraw/zinc/93/47/02/524934702.db2.gz IBTAXLFYIMJYDU-YUMQZZPRSA-N 1 2 296.327 -1.696 20 0 CAADLO C[C@H]1C[C@H](O)C[N@H+]1CC(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000340924224 524934711 /nfs/dbraw/zinc/93/47/11/524934711.db2.gz IBTAXLFYIMJYDU-YUMQZZPRSA-N 1 2 296.327 -1.696 20 0 CAADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)N(C)CCOCCO ZINC000340662289 524956648 /nfs/dbraw/zinc/95/66/48/524956648.db2.gz ZOGKXQQDFVONRM-NSHDSACASA-N 1 2 298.343 -1.145 20 0 CAADLO CS(=O)(=O)N1CC[NH+](C[C@H](O)Cn2cccn2)CC1 ZINC000044974274 525175968 /nfs/dbraw/zinc/17/59/68/525175968.db2.gz YHRMKVOKZOVRAA-NSHDSACASA-N 1 2 288.373 -1.179 20 0 CAADLO C[C@@H]1C[C@@H]1C[NH+](CC(=O)NC(N)=O)CC(=O)NC(N)=O ZINC000047045276 525310293 /nfs/dbraw/zinc/31/02/93/525310293.db2.gz WEQPNDNBEAOAQP-RNFRBKRXSA-N 1 2 285.304 -1.666 20 0 CAADLO O=S(=O)(C[C@@H]1CCOC1)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000179057390 534862108 /nfs/dbraw/zinc/86/21/08/534862108.db2.gz WZRUQNGIJHCPMA-VXGBXAGGSA-N 1 2 289.401 -1.058 20 0 CAADLO O=S(=O)(NC[C@H]1C[NH+]2CCN1CC2)C1COC1 ZINC000493944966 534868646 /nfs/dbraw/zinc/86/86/46/534868646.db2.gz MMEJKYJHRIIISY-VIFPVBQESA-N 1 2 261.347 -1.696 20 0 CAADLO O=S(=O)(NC[C@H]1C[NH+]2CCN1CC2)N1CCCC1 ZINC000446934526 534868942 /nfs/dbraw/zinc/86/89/42/534868942.db2.gz VJTCPBQCOWDLBS-NSHDSACASA-N 1 2 274.390 -1.084 20 0 CAADLO CC(C)(C)N1C[C@@H](NC(=O)CN2CC[NH2+]CC2=O)CC1=O ZINC000162698048 526293050 /nfs/dbraw/zinc/29/30/50/526293050.db2.gz FSXXPKYILRIPBZ-JTQLQIEISA-N 1 2 296.371 -1.066 20 0 CAADLO CC(C)(C)NC(=O)CNC(=O)C[NH+](CCO)CCO ZINC000436208495 526308951 /nfs/dbraw/zinc/30/89/51/526308951.db2.gz ZPMVFNBCRZIPOE-UHFFFAOYSA-N 1 2 275.349 -1.696 20 0 CAADLO CC(C)(C)NC(=O)NC(=O)C[NH+]1C[C@H](O)[C@@H](O)C1 ZINC000232504588 526318263 /nfs/dbraw/zinc/31/82/63/526318263.db2.gz LWUOBCUSEATWJM-YUMQZZPRSA-N 1 2 259.306 -1.352 20 0 CAADLO CC(C)(C)NC(=O)NC(=O)C[N@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000093092014 526318611 /nfs/dbraw/zinc/31/86/11/526318611.db2.gz LWUOBCUSEATWJM-OCAPTIKFSA-N 1 2 259.306 -1.352 20 0 CAADLO CC(C)(C)NC(=O)NC(=O)C[N@@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000093092014 526318615 /nfs/dbraw/zinc/31/86/15/526318615.db2.gz LWUOBCUSEATWJM-OCAPTIKFSA-N 1 2 259.306 -1.352 20 0 CAADLO CC(C)(C)OC(=O)CNC(=O)C[NH+]1C[C@H](O)[C@@H](O)C1 ZINC000444691645 526366753 /nfs/dbraw/zinc/36/67/53/526366753.db2.gz DCWQHMVEOYQPKY-IUCAKERBSA-N 1 2 274.317 -1.518 20 0 CAADLO CC(C)(C)OC(=O)CNC(=O)C[NH+]1C[C@@H](O)[C@H](O)C1 ZINC000444691647 526366793 /nfs/dbraw/zinc/36/67/93/526366793.db2.gz DCWQHMVEOYQPKY-RKDXNWHRSA-N 1 2 274.317 -1.518 20 0 CAADLO CC(=O)N1CC(C(=O)NCCC[N@@H+]2CCNC(=O)C2)C1 ZINC000351941526 526516010 /nfs/dbraw/zinc/51/60/10/526516010.db2.gz SEUPSOYRFXQHCQ-UHFFFAOYSA-N 1 2 282.344 -1.597 20 0 CAADLO CC(=O)N1CC(C(=O)NCCC[N@H+]2CCNC(=O)C2)C1 ZINC000351941526 526516015 /nfs/dbraw/zinc/51/60/15/526516015.db2.gz SEUPSOYRFXQHCQ-UHFFFAOYSA-N 1 2 282.344 -1.597 20 0 CAADLO CC(=O)N1CC(C(=O)NC[C@H]2C[NH+]3CCN2CC3)C1 ZINC000188604854 526516312 /nfs/dbraw/zinc/51/63/12/526516312.db2.gz MIBJVHYKBQIJQE-LBPRGKRZSA-N 1 2 266.345 -1.419 20 0 CAADLO CC(=O)N1CC(C(=O)N[C@@H](CO)C[NH+]2CCOCC2)C1 ZINC000331843998 526517827 /nfs/dbraw/zinc/51/78/27/526517827.db2.gz HANPAYICRGJATE-GFCCVEGCSA-N 1 2 285.344 -1.726 20 0 CAADLO CC(=O)N1CC(NC(=O)C[N@@H+](C)CC(=O)NC(C)C)C1 ZINC000332011089 526522350 /nfs/dbraw/zinc/52/23/50/526522350.db2.gz DCZRLSWELLNHGA-UHFFFAOYSA-N 1 2 284.360 -1.210 20 0 CAADLO CC(=O)N1CC(NC(=O)C[N@H+](C)CC(=O)NC(C)C)C1 ZINC000332011089 526522355 /nfs/dbraw/zinc/52/23/55/526522355.db2.gz DCZRLSWELLNHGA-UHFFFAOYSA-N 1 2 284.360 -1.210 20 0 CAADLO O=C([C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CC(O)C1 ZINC000363783189 526524999 /nfs/dbraw/zinc/52/49/99/526524999.db2.gz JDSPQJZRVKRJNO-NSHDSACASA-N 1 2 297.355 -1.630 20 0 CAADLO CC(=O)N1CCCN(C(=O)CN2CC[NH2+]CC2=O)CC1 ZINC000428750292 526557071 /nfs/dbraw/zinc/55/70/71/526557071.db2.gz RZDRINQCRFGACJ-UHFFFAOYSA-N 1 2 282.344 -1.501 20 0 CAADLO CC(=O)N1CCN(C(=O)C[N@@H+](C)[C@@H]2CCN(C)C2=O)CC1 ZINC000329087802 526607954 /nfs/dbraw/zinc/60/79/54/526607954.db2.gz VKNVWJGMHMKEDZ-GFCCVEGCSA-N 1 2 296.371 -1.160 20 0 CAADLO CC(=O)N1CCN(C(=O)C[N@H+](C)[C@@H]2CCN(C)C2=O)CC1 ZINC000329087802 526607955 /nfs/dbraw/zinc/60/79/55/526607955.db2.gz VKNVWJGMHMKEDZ-GFCCVEGCSA-N 1 2 296.371 -1.160 20 0 CAADLO CC(=O)N1CCN(C(=O)C[N@H+]2C[C@H](CO)OC[C@@H]2C)CC1 ZINC000167844732 526609532 /nfs/dbraw/zinc/60/95/32/526609532.db2.gz GSTOUCSCHDECJA-WCQYABFASA-N 1 2 299.371 -1.241 20 0 CAADLO CC(=O)N1CCN(C(=O)C[N@@H+]2C[C@H](CO)OC[C@@H]2C)CC1 ZINC000167844732 526609535 /nfs/dbraw/zinc/60/95/35/526609535.db2.gz GSTOUCSCHDECJA-WCQYABFASA-N 1 2 299.371 -1.241 20 0 CAADLO CC(=O)N1CCOC[C@H]1C(=O)N1CC[NH+](CCO)CC1 ZINC000339977683 526639090 /nfs/dbraw/zinc/63/90/90/526639090.db2.gz MHALPJKDSMCUOQ-LBPRGKRZSA-N 1 2 285.344 -1.630 20 0 CAADLO CC(=O)N1CC[C@@H](C(=O)NC[C@H]2C[NH+]3CCN2CC3)C1 ZINC000178646012 526643435 /nfs/dbraw/zinc/64/34/35/526643435.db2.gz XZLIXCPOXZLPFP-OLZOCXBDSA-N 1 2 280.372 -1.029 20 0 CAADLO COC(=O)NCC(=O)NCCCNC(=O)Cc1[nH]cc[nH+]1 ZINC001293171077 782164229 /nfs/dbraw/zinc/16/42/29/782164229.db2.gz URDVYVUVIIZFIL-UHFFFAOYSA-N 1 2 297.315 -1.069 20 0 CAADLO CC(=O)NC1CN(C(=O)NCC[NH+]2CCOCC2)C1 ZINC000331819395 526708200 /nfs/dbraw/zinc/70/82/00/526708200.db2.gz BHCJKRINRFXJLG-UHFFFAOYSA-N 1 2 270.333 -1.152 20 0 CAADLO CC(=O)NCCC[NH+]1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC000164934296 526734128 /nfs/dbraw/zinc/73/41/28/526734128.db2.gz NQMHOQIPXSQEFK-UHFFFAOYSA-N 1 2 296.371 -1.065 20 0 CAADLO CC(=O)NCCCNC(=O)CN1CC[NH2+]CC1=O ZINC000430186452 526738091 /nfs/dbraw/zinc/73/80/91/526738091.db2.gz NFNNWFICENMNPW-UHFFFAOYSA-N 1 2 256.306 -1.939 20 0 CAADLO CC(=O)N[C@@H]1CCCN(C(=O)C[N@@H+]2CCNC(=O)CC2)C1 ZINC000126142484 526847783 /nfs/dbraw/zinc/84/77/83/526847783.db2.gz MIGPAMTVGKMCJD-GFCCVEGCSA-N 1 2 296.371 -1.065 20 0 CAADLO CC(=O)N[C@@H]1CCCN(C(=O)C[N@H+]2CCNC(=O)CC2)C1 ZINC000126142484 526847784 /nfs/dbraw/zinc/84/77/84/526847784.db2.gz MIGPAMTVGKMCJD-GFCCVEGCSA-N 1 2 296.371 -1.065 20 0 CAADLO O=C(N[C@@H](CO)C[NH+]1CCOCC1)[C@H]1CCNC(=O)C1 ZINC000339211140 526859543 /nfs/dbraw/zinc/85/95/43/526859543.db2.gz BXKJONALZHYFDU-WDEREUQCSA-N 1 2 285.344 -1.678 20 0 CAADLO NC(=O)C[NH+]1CCN(c2ncnc3nc[nH]c32)CC1 ZINC000047509952 526885196 /nfs/dbraw/zinc/88/51/96/526885196.db2.gz QZYLPABNBJTUPT-UHFFFAOYSA-N 1 2 261.289 -1.040 20 0 CAADLO CC(=O)N[C@H]1CCCN(C(=O)C[N@@H+]2CCNC(=O)CC2)C1 ZINC000126142734 526896094 /nfs/dbraw/zinc/89/60/94/526896094.db2.gz MIGPAMTVGKMCJD-LBPRGKRZSA-N 1 2 296.371 -1.065 20 0 CAADLO CC(=O)N[C@H]1CCCN(C(=O)C[N@H+]2CCNC(=O)CC2)C1 ZINC000126142734 526896098 /nfs/dbraw/zinc/89/60/98/526896098.db2.gz MIGPAMTVGKMCJD-LBPRGKRZSA-N 1 2 296.371 -1.065 20 0 CAADLO C=CC(=O)NCCC(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000490624036 526915876 /nfs/dbraw/zinc/91/58/76/526915876.db2.gz NOHKIJAIHVDVCA-LBPRGKRZSA-N 1 2 299.371 -1.170 20 0 CAADLO O=C1C(=O)N(CCC[NH+]2CCOCC2)C(=O)N1CCCO ZINC000340699215 526951374 /nfs/dbraw/zinc/95/13/74/526951374.db2.gz YLODINGGZLJLGZ-UHFFFAOYSA-N 1 2 299.327 -1.118 20 0 CAADLO NC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@@H+]1CC(=O)N1CCNC(=O)C1 ZINC000364952820 526987403 /nfs/dbraw/zinc/98/74/03/526987403.db2.gz DMGLYJQYEBGILW-NRUUGDAUSA-N 1 2 294.355 -1.469 20 0 CAADLO NC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@H+]1CC(=O)N1CCNC(=O)C1 ZINC000364952820 526987408 /nfs/dbraw/zinc/98/74/08/526987408.db2.gz DMGLYJQYEBGILW-NRUUGDAUSA-N 1 2 294.355 -1.469 20 0 CAADLO NC(=O)[C@H]1CN(C(=O)CCn2cc[nH+]c2)CCO1 ZINC000299657296 527013226 /nfs/dbraw/zinc/01/32/26/527013226.db2.gz MJUBGFWHNLAIRC-SECBINFHSA-N 1 2 252.274 -1.014 20 0 CAADLO Cn1c(N)c(C(=O)C[N@@H+]2CC[C@@H](O)C2)c(=O)n(C)c1=O ZINC000074323722 527071973 /nfs/dbraw/zinc/07/19/73/527071973.db2.gz DYFPXRQLNKZNBA-SSDOTTSWSA-N 1 2 282.300 -2.085 20 0 CAADLO Cn1c(N)c(C(=O)C[N@H+]2CC[C@@H](O)C2)c(=O)n(C)c1=O ZINC000074323722 527071977 /nfs/dbraw/zinc/07/19/77/527071977.db2.gz DYFPXRQLNKZNBA-SSDOTTSWSA-N 1 2 282.300 -2.085 20 0 CAADLO CC(=O)[C@](C)(O)C[NH+]1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC000332194362 527154309 /nfs/dbraw/zinc/15/43/09/527154309.db2.gz RBQZBSDHUZVQJM-CQSZACIVSA-N 1 2 297.355 -1.251 20 0 CAADLO Cn1cc(N2CCC[C@@H]([N@H+]3C[C@@H](O)[C@@H](O)C3)C2=O)cn1 ZINC000278897976 527242004 /nfs/dbraw/zinc/24/20/04/527242004.db2.gz VAENKFDNHKUNKM-UTUOFQBUSA-N 1 2 280.328 -1.047 20 0 CAADLO Cn1cc(N2CCC[C@@H]([N@@H+]3C[C@@H](O)[C@@H](O)C3)C2=O)cn1 ZINC000278897976 527242010 /nfs/dbraw/zinc/24/20/10/527242010.db2.gz VAENKFDNHKUNKM-UTUOFQBUSA-N 1 2 280.328 -1.047 20 0 CAADLO NS(=O)(=O)N1CC[NH+](CCc2cn[nH]c2)CC1 ZINC000290146929 527299385 /nfs/dbraw/zinc/29/93/85/527299385.db2.gz WGNNVPGPXAVYCU-UHFFFAOYSA-N 1 2 259.335 -1.227 20 0 CAADLO NS(=O)(=O)N1CC[NH+](CCn2cccn2)CC1 ZINC000098132264 527298681 /nfs/dbraw/zinc/29/86/81/527298681.db2.gz XVGLZYSAHNVPEP-UHFFFAOYSA-N 1 2 259.335 -1.296 20 0 CAADLO CC(C)(O)C(=O)NCC(=O)NCC[NH+]1CCOCC1 ZINC000427859401 527300260 /nfs/dbraw/zinc/30/02/60/527300260.db2.gz XEZBKGJVMNUSCL-UHFFFAOYSA-N 1 2 273.333 -1.678 20 0 CAADLO Cn1ccc(N2CCC[C@H]([NH+]3C[C@H](O)[C@@H](O)C3)C2=O)n1 ZINC000278917198 527361728 /nfs/dbraw/zinc/36/17/28/527361728.db2.gz WJYPDNZFDFFLKU-DCAQKATOSA-N 1 2 280.328 -1.047 20 0 CAADLO Cn1cc[nH+]c1CNC(=O)C(=O)N1CCOCC1 ZINC000339298667 527433171 /nfs/dbraw/zinc/43/31/71/527433171.db2.gz RGBPAWOZWOKTQL-UHFFFAOYSA-N 1 2 252.274 -1.105 20 0 CAADLO CC(C)C(=O)N1CCN(C(=O)CN2CC[NH2+]CC2=O)CC1 ZINC000429743478 527479291 /nfs/dbraw/zinc/47/92/91/527479291.db2.gz MWOJTJWIPMSCDS-UHFFFAOYSA-N 1 2 296.371 -1.255 20 0 CAADLO CC(C)(C(=O)NCCOCC(N)=O)[NH+]1CCOCC1 ZINC000354842626 527519974 /nfs/dbraw/zinc/51/99/74/527519974.db2.gz AERNKWIGHXHPNH-UHFFFAOYSA-N 1 2 273.333 -1.285 20 0 CAADLO CC(C)(C(N)=O)[NH+]1CCN(c2cncc(C(N)=O)n2)CC1 ZINC000431809589 527542390 /nfs/dbraw/zinc/54/23/90/527542390.db2.gz FALTYRDNOXPZHT-UHFFFAOYSA-N 1 2 292.343 -1.039 20 0 CAADLO OC[C@H](O)CNc1nc(NC[C@@H](O)CO)c(Cl)c[nH+]1 ZINC000275879801 527610724 /nfs/dbraw/zinc/61/07/24/527610724.db2.gz WNNICTTYGOOMPN-RNFRBKRXSA-N 1 2 292.723 -1.340 20 0 CAADLO CC[N@@H+]1CCOC[C@@H]1C(=O)N1CCO[C@H](C(N)=O)C1 ZINC000347693915 527717640 /nfs/dbraw/zinc/71/76/40/527717640.db2.gz XTDGVCYDHYJMBA-ZJUUUORDSA-N 1 2 271.317 -1.580 20 0 CAADLO CC[N@H+]1CCOC[C@@H]1C(=O)N1CCO[C@H](C(N)=O)C1 ZINC000347693915 527717643 /nfs/dbraw/zinc/71/76/43/527717643.db2.gz XTDGVCYDHYJMBA-ZJUUUORDSA-N 1 2 271.317 -1.580 20 0 CAADLO CCN(C)S(=O)(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000443368225 527849251 /nfs/dbraw/zinc/84/92/51/527849251.db2.gz FDWFXDATDVOFPG-LLVKDONJSA-N 1 2 295.405 -1.192 20 0 CAADLO CC[N@H+](CC(=O)N1CCNC(=O)C1)[C@H]1CCNC1=O ZINC000333298821 527897849 /nfs/dbraw/zinc/89/78/49/527897849.db2.gz MAAHABRNKAVATE-VIFPVBQESA-N 1 2 268.317 -1.845 20 0 CAADLO CC[N@@H+](CC(=O)N1CCNC(=O)C1)[C@H]1CCNC1=O ZINC000333298821 527897855 /nfs/dbraw/zinc/89/78/55/527897855.db2.gz MAAHABRNKAVATE-VIFPVBQESA-N 1 2 268.317 -1.845 20 0 CAADLO CCN(CC(=O)NC(C)C)C(=O)C[N@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000093092125 527904564 /nfs/dbraw/zinc/90/45/64/527904564.db2.gz YCLLHIDSTCMMHE-PHIMTYICSA-N 1 2 287.360 -1.603 20 0 CAADLO CCN(CC(=O)NC(C)C)C(=O)C[N@@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000093092125 527904567 /nfs/dbraw/zinc/90/45/67/527904567.db2.gz YCLLHIDSTCMMHE-PHIMTYICSA-N 1 2 287.360 -1.603 20 0 CAADLO CC[N@H+](CC(=O)NCC(=O)N1CCCC1)[C@H]1CCNC1=O ZINC000333282348 527906017 /nfs/dbraw/zinc/90/60/17/527906017.db2.gz JDTMUFPXMIGBTG-NSHDSACASA-N 1 2 296.371 -1.065 20 0 CAADLO CC[N@@H+](CC(=O)NCC(=O)N1CCCC1)[C@H]1CCNC1=O ZINC000333282348 527906025 /nfs/dbraw/zinc/90/60/25/527906025.db2.gz JDTMUFPXMIGBTG-NSHDSACASA-N 1 2 296.371 -1.065 20 0 CAADLO CC[N@H+](CC(=O)NCC(=O)OC)[C@H]1CCNC1=O ZINC000440956956 527906586 /nfs/dbraw/zinc/90/65/86/527906586.db2.gz LLLDBSPDZPBTNC-QMMMGPOBSA-N 1 2 257.290 -1.514 20 0 CAADLO CC[N@@H+](CC(=O)NCC(=O)OC)[C@H]1CCNC1=O ZINC000440956956 527906588 /nfs/dbraw/zinc/90/65/88/527906588.db2.gz LLLDBSPDZPBTNC-QMMMGPOBSA-N 1 2 257.290 -1.514 20 0 CAADLO CCOC(=O)[C@@](C)(O)C[N@@H+]1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000331055236 527921127 /nfs/dbraw/zinc/92/11/27/527921127.db2.gz KMLIOULTZNEGOT-UFBFGSQYSA-N 1 2 285.300 -1.464 20 0 CAADLO CCOC(=O)[C@@](C)(O)C[N@H+]1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000331055236 527921134 /nfs/dbraw/zinc/92/11/34/527921134.db2.gz KMLIOULTZNEGOT-UFBFGSQYSA-N 1 2 285.300 -1.464 20 0 CAADLO CCC[N@H+](CC(N)=O)CC(=O)N[C@H](C)C(=O)N(C)C ZINC000429190394 527941588 /nfs/dbraw/zinc/94/15/88/527941588.db2.gz NBIXYNGSUUVYAI-SECBINFHSA-N 1 2 272.349 -1.223 20 0 CAADLO CCC[N@@H+](CC(N)=O)CC(=O)N[C@H](C)C(=O)N(C)C ZINC000429190394 527941591 /nfs/dbraw/zinc/94/15/91/527941591.db2.gz NBIXYNGSUUVYAI-SECBINFHSA-N 1 2 272.349 -1.223 20 0 CAADLO CCC[N@H+](CC(N)=O)CC(=O)N1CCC[C@H](C(N)=O)C1 ZINC000429141778 527941937 /nfs/dbraw/zinc/94/19/37/527941937.db2.gz LBLQVLJGJNFLIM-JTQLQIEISA-N 1 2 284.360 -1.092 20 0 CAADLO CCC[N@@H+](CC(N)=O)CC(=O)N1CCC[C@H](C(N)=O)C1 ZINC000429141778 527941943 /nfs/dbraw/zinc/94/19/43/527941943.db2.gz LBLQVLJGJNFLIM-JTQLQIEISA-N 1 2 284.360 -1.092 20 0 CAADLO CCC[N@H+](CC(N)=O)CC(=O)N1CCN(C(C)=O)CC1 ZINC000429154742 527942050 /nfs/dbraw/zinc/94/20/50/527942050.db2.gz APKDGVMHXSGOFY-UHFFFAOYSA-N 1 2 284.360 -1.126 20 0 CAADLO CCC[N@@H+](CC(N)=O)CC(=O)N1CCN(C(C)=O)CC1 ZINC000429154742 527942057 /nfs/dbraw/zinc/94/20/57/527942057.db2.gz APKDGVMHXSGOFY-UHFFFAOYSA-N 1 2 284.360 -1.126 20 0 CAADLO CCOC(=O)[C@H](C)CNC(=O)CN1CC[NH2+]CC1=O ZINC000430430178 527944654 /nfs/dbraw/zinc/94/46/54/527944654.db2.gz YPFXOFIXAFYEHW-SECBINFHSA-N 1 2 271.317 -1.266 20 0 CAADLO CCO[C@@H]1C[C@H]1C(=O)NCC(=O)NCC[NH+]1CCOCC1 ZINC000347885710 527963703 /nfs/dbraw/zinc/96/37/03/527963703.db2.gz CHRHTTJFBDLBEX-VXGBXAGGSA-N 1 2 299.371 -1.024 20 0 CAADLO CC[N@H+](CC(N)=O)CC(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000191731833 527978661 /nfs/dbraw/zinc/97/86/61/527978661.db2.gz UCYUJTZNLBEPTL-UHFFFAOYSA-N 1 2 296.371 -1.126 20 0 CAADLO CC[N@@H+](CC(N)=O)CC(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000191731833 527978666 /nfs/dbraw/zinc/97/86/66/527978666.db2.gz UCYUJTZNLBEPTL-UHFFFAOYSA-N 1 2 296.371 -1.126 20 0 CAADLO CC[N@H+](CC(N)=O)CC(=O)N[C@@H](C)C(=O)N(C)C ZINC000191716290 527979319 /nfs/dbraw/zinc/97/93/19/527979319.db2.gz RPXYLVAAHPFNSL-QMMMGPOBSA-N 1 2 258.322 -1.614 20 0 CAADLO CC[N@@H+](CC(N)=O)CC(=O)N[C@@H](C)C(=O)N(C)C ZINC000191716290 527979325 /nfs/dbraw/zinc/97/93/25/527979325.db2.gz RPXYLVAAHPFNSL-QMMMGPOBSA-N 1 2 258.322 -1.614 20 0 CAADLO CC(C)OC[C@@H](CO)[N@H+](C)CC(=O)N1CCNC(=O)C1 ZINC000433243706 528008857 /nfs/dbraw/zinc/00/88/57/528008857.db2.gz SZTHDBIGKYQWRV-LLVKDONJSA-N 1 2 287.360 -1.338 20 0 CAADLO CC(C)OC[C@@H](CO)[N@@H+](C)CC(=O)N1CCNC(=O)C1 ZINC000433243706 528008865 /nfs/dbraw/zinc/00/88/65/528008865.db2.gz SZTHDBIGKYQWRV-LLVKDONJSA-N 1 2 287.360 -1.338 20 0 CAADLO CCNC(=O)CN(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000076773902 528075437 /nfs/dbraw/zinc/07/54/37/528075437.db2.gz IZZMIDOTRGKQGX-NSHDSACASA-N 1 2 259.350 -1.253 20 0 CAADLO CCNC(=O)C[N@@H+]1CCCN(S(=O)(=O)N(C)C)CC1 ZINC000047280926 528088694 /nfs/dbraw/zinc/08/86/94/528088694.db2.gz LNHCXGPLDNISDP-UHFFFAOYSA-N 1 2 292.405 -1.063 20 0 CAADLO CCNC(=O)C[N@H+]1CCCN(S(=O)(=O)N(C)C)CC1 ZINC000047280926 528088701 /nfs/dbraw/zinc/08/87/01/528088701.db2.gz LNHCXGPLDNISDP-UHFFFAOYSA-N 1 2 292.405 -1.063 20 0 CAADLO CCOC(=O)[C@](C)(O)C[N@@H+]1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000331055234 528100440 /nfs/dbraw/zinc/10/04/40/528100440.db2.gz KMLIOULTZNEGOT-PRHODGIISA-N 1 2 285.300 -1.464 20 0 CAADLO CCOC(=O)[C@](C)(O)C[N@H+]1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000331055234 528100443 /nfs/dbraw/zinc/10/04/43/528100443.db2.gz KMLIOULTZNEGOT-PRHODGIISA-N 1 2 285.300 -1.464 20 0 CAADLO CCOC(=O)[C@](C)(O)C[N@@H+]1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC000332673565 528101615 /nfs/dbraw/zinc/10/16/15/528101615.db2.gz FVQRQXLBNWKTER-TVQRCGJNSA-N 1 2 299.327 -2.057 20 0 CAADLO CCOC(=O)[C@](C)(O)C[N@H+]1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC000332673565 528101621 /nfs/dbraw/zinc/10/16/21/528101621.db2.gz FVQRQXLBNWKTER-TVQRCGJNSA-N 1 2 299.327 -2.057 20 0 CAADLO CCNC(=O)N1CC[C@H](NC(=O)CN2CC[NH2+]CC2=O)C1 ZINC000430058171 528145426 /nfs/dbraw/zinc/14/54/26/528145426.db2.gz LTZFIXJYNVRHLC-JTQLQIEISA-N 1 2 297.359 -1.662 20 0 CAADLO CCO[C@H]1C[C@H]1C(=O)NCC(=O)NCC[NH+]1CCOCC1 ZINC000347885695 528149677 /nfs/dbraw/zinc/14/96/77/528149677.db2.gz CHRHTTJFBDLBEX-NEPJUHHUSA-N 1 2 299.371 -1.024 20 0 CAADLO CCCCC[N@H+](CC(N)=O)CC(=O)N1CCNC(=O)C1 ZINC000183032017 528165987 /nfs/dbraw/zinc/16/59/87/528165987.db2.gz BUDXTPYYXKGFKN-UHFFFAOYSA-N 1 2 284.360 -1.078 20 0 CAADLO CCCCC[N@@H+](CC(N)=O)CC(=O)N1CCNC(=O)C1 ZINC000183032017 528165991 /nfs/dbraw/zinc/16/59/91/528165991.db2.gz BUDXTPYYXKGFKN-UHFFFAOYSA-N 1 2 284.360 -1.078 20 0 CAADLO CCNC(=O)[C@H](C)NC(=O)CN1CC[NH2+]CC1=O ZINC000429760585 528217027 /nfs/dbraw/zinc/21/70/27/528217027.db2.gz NFMHELJQFRBFQW-QMMMGPOBSA-N 1 2 256.306 -1.941 20 0 CAADLO CCC[C@H](O)C[NH+]1CCN(S(N)(=O)=O)CC1 ZINC000450390839 528246168 /nfs/dbraw/zinc/24/61/68/528246168.db2.gz MPKSULZUOXNTOJ-VIFPVBQESA-N 1 2 251.352 -1.032 20 0 CAADLO CCC(=O)N1CC[C@H](NC(=O)CN2CC[NH2+]CC2=O)C1 ZINC000430474019 528370699 /nfs/dbraw/zinc/37/06/99/528370699.db2.gz OSNPGSAKCVMKKZ-JTQLQIEISA-N 1 2 282.344 -1.455 20 0 CAADLO CCCNC(=O)CN(C)C(=O)C[N@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000093092275 528376331 /nfs/dbraw/zinc/37/63/31/528376331.db2.gz QTUJOJZQZCAHBF-AOOOYVTPSA-N 1 2 273.333 -1.992 20 0 CAADLO CCCNC(=O)CN(C)C(=O)C[N@@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000093092275 528376339 /nfs/dbraw/zinc/37/63/39/528376339.db2.gz QTUJOJZQZCAHBF-AOOOYVTPSA-N 1 2 273.333 -1.992 20 0 CAADLO CCCNC(=O)CN(C)C(=O)C[N@@H+]1CCNC(=O)CC1 ZINC000054867852 528376942 /nfs/dbraw/zinc/37/69/42/528376942.db2.gz RIJMNFRVPYMCOJ-UHFFFAOYSA-N 1 2 284.360 -1.207 20 0 CAADLO CCCNC(=O)CN(C)C(=O)C[N@H+]1CCNC(=O)CC1 ZINC000054867852 528376947 /nfs/dbraw/zinc/37/69/47/528376947.db2.gz RIJMNFRVPYMCOJ-UHFFFAOYSA-N 1 2 284.360 -1.207 20 0 CAADLO CC[N@H+](CCNS(=O)(=O)c1cnn(C)c1)CC(N)=O ZINC000191724942 528514177 /nfs/dbraw/zinc/51/41/77/528514177.db2.gz QOGZFWRKSARBGS-UHFFFAOYSA-N 1 2 289.361 -1.494 20 0 CAADLO CC[N@@H+](CCNS(=O)(=O)c1cnn(C)c1)CC(N)=O ZINC000191724942 528514182 /nfs/dbraw/zinc/51/41/82/528514182.db2.gz QOGZFWRKSARBGS-UHFFFAOYSA-N 1 2 289.361 -1.494 20 0 CAADLO CCCCNC(=O)NC(=O)C[NH+]1C[C@@H](O)[C@H](O)C1 ZINC000232970307 528517523 /nfs/dbraw/zinc/51/75/23/528517523.db2.gz XGEVFHMWJPKKQA-RKDXNWHRSA-N 1 2 259.306 -1.350 20 0 CAADLO CCCCOCCNC(=O)C[NH+]1C[C@@H](O)[C@H](O)C1 ZINC000444701945 528598638 /nfs/dbraw/zinc/59/86/38/528598638.db2.gz XGGISULSFAGHIG-GHMZBOCLSA-N 1 2 260.334 -1.043 20 0 CAADLO CCC(CC)(NC(=O)C1C[NH+]([C@@H](C)C(N)=O)C1)C(N)=O ZINC000353200963 528710944 /nfs/dbraw/zinc/71/09/44/528710944.db2.gz LEMBTEZVXZEBNH-QMMMGPOBSA-N 1 2 284.360 -1.048 20 0 CAADLO CCOCCNC(=O)C[N@@H+]1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000331650894 528761586 /nfs/dbraw/zinc/76/15/86/528761586.db2.gz NTTULQOZSGPDFU-ZDUSSCGKSA-N 1 2 298.343 -1.187 20 0 CAADLO CCOCCNC(=O)C[N@H+]1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000331650894 528761595 /nfs/dbraw/zinc/76/15/95/528761595.db2.gz NTTULQOZSGPDFU-ZDUSSCGKSA-N 1 2 298.343 -1.187 20 0 CAADLO CCOCCNC(=O)C[N@@H+]1CCN2C(=O)NC[C@H]2C1 ZINC000176024986 528763866 /nfs/dbraw/zinc/76/38/66/528763866.db2.gz WYNCDNWKHPNARD-JTQLQIEISA-N 1 2 270.333 -1.152 20 0 CAADLO CCOCCNC(=O)C[N@H+]1CCN2C(=O)NC[C@H]2C1 ZINC000176024986 528763870 /nfs/dbraw/zinc/76/38/70/528763870.db2.gz WYNCDNWKHPNARD-JTQLQIEISA-N 1 2 270.333 -1.152 20 0 CAADLO CCOCCNC(=O)C[N@@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000440355820 528764275 /nfs/dbraw/zinc/76/42/75/528764275.db2.gz GRHSEVDLAGUBSJ-JTQLQIEISA-N 1 2 293.389 -1.237 20 0 CAADLO CCOCCNC(=O)C[N@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000440355820 528764282 /nfs/dbraw/zinc/76/42/82/528764282.db2.gz GRHSEVDLAGUBSJ-JTQLQIEISA-N 1 2 293.389 -1.237 20 0 CAADLO CCOCCNC(=O)C[N@@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000440355821 528764316 /nfs/dbraw/zinc/76/43/16/528764316.db2.gz GRHSEVDLAGUBSJ-SNVBAGLBSA-N 1 2 293.389 -1.237 20 0 CAADLO CCOCCNC(=O)C[N@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000440355821 528764322 /nfs/dbraw/zinc/76/43/22/528764322.db2.gz GRHSEVDLAGUBSJ-SNVBAGLBSA-N 1 2 293.389 -1.237 20 0 CAADLO CCOC(=O)CN(C)C(=O)C[N@H+](C)[C@@H]1COC[C@H]1O ZINC000352791473 528781542 /nfs/dbraw/zinc/78/15/42/528781542.db2.gz IGLLPAHGDTYVSA-NXEZZACHSA-N 1 2 274.317 -1.301 20 0 CAADLO CCOC(=O)CN(C)C(=O)C[N@@H+](C)[C@@H]1COC[C@H]1O ZINC000352791473 528781549 /nfs/dbraw/zinc/78/15/49/528781549.db2.gz IGLLPAHGDTYVSA-NXEZZACHSA-N 1 2 274.317 -1.301 20 0 CAADLO CCCn1c(N)c(C(=O)C[N@@H+]2CC[C@@H](O)C2)c(=O)[nH]c1=O ZINC000114486518 528820267 /nfs/dbraw/zinc/82/02/67/528820267.db2.gz VHZADQRSUPLJPN-MRVPVSSYSA-N 1 2 296.327 -1.222 20 0 CAADLO CCCn1c(N)c(C(=O)C[N@H+]2CC[C@@H](O)C2)c(=O)[nH]c1=O ZINC000114486518 528820269 /nfs/dbraw/zinc/82/02/69/528820269.db2.gz VHZADQRSUPLJPN-MRVPVSSYSA-N 1 2 296.327 -1.222 20 0 CAADLO CCOC(=O)COCC[N@@H+]1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC000347733454 528822334 /nfs/dbraw/zinc/82/23/34/528822334.db2.gz CXORUNWCUKIEPI-SNVBAGLBSA-N 1 2 299.327 -1.791 20 0 CAADLO CCOC(=O)COCC[N@H+]1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC000347733454 528822340 /nfs/dbraw/zinc/82/23/40/528822340.db2.gz CXORUNWCUKIEPI-SNVBAGLBSA-N 1 2 299.327 -1.791 20 0 CAADLO CCOC[C@@H](O)C[NH+]1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC000354863806 528901176 /nfs/dbraw/zinc/90/11/76/528901176.db2.gz VTVIVEUVWLHEFY-LBPRGKRZSA-N 1 2 299.371 -1.193 20 0 CAADLO CC(C)[N@H+](CCOCCO)Cc1nc(N)nc(N)n1 ZINC000336807968 528910811 /nfs/dbraw/zinc/91/08/11/528910811.db2.gz NUCIQTSDJQFNJD-UHFFFAOYSA-N 1 2 270.337 -1.084 20 0 CAADLO CC(C)[N@@H+](CCOCCO)Cc1nc(N)nc(N)n1 ZINC000336807968 528910817 /nfs/dbraw/zinc/91/08/17/528910817.db2.gz NUCIQTSDJQFNJD-UHFFFAOYSA-N 1 2 270.337 -1.084 20 0 CAADLO CC(C)N1C(=O)C[C@H](NC(=O)CN2CC[NH2+]CC2=O)C1=O ZINC000430074398 528977807 /nfs/dbraw/zinc/97/78/07/528977807.db2.gz HCBKWNDDGRUZKT-VIFPVBQESA-N 1 2 296.327 -1.930 20 0 CAADLO CCOC(=O)N1CCN(C(=O)CN2CC[NH2+]CC2=O)CC1 ZINC000496420134 528985282 /nfs/dbraw/zinc/98/52/82/528985282.db2.gz ZQKKQOJDAYYWHI-UHFFFAOYSA-N 1 2 298.343 -1.281 20 0 CAADLO CCOC[C@H](O)C[N@@H+]1CCNC(=O)[C@@H]1CC(=O)OC ZINC000354860581 528996767 /nfs/dbraw/zinc/99/67/67/528996767.db2.gz QUTWIKKNADPLQJ-ZJUUUORDSA-N 1 2 274.317 -1.253 20 0 CAADLO CCOC[C@H](O)C[N@H+]1CCNC(=O)[C@@H]1CC(=O)OC ZINC000354860581 528996771 /nfs/dbraw/zinc/99/67/71/528996771.db2.gz QUTWIKKNADPLQJ-ZJUUUORDSA-N 1 2 274.317 -1.253 20 0 CAADLO CCOC(=O)NCC(=O)NCCC[N@@H+]1CCNC(=O)C1 ZINC000494321117 529036505 /nfs/dbraw/zinc/03/65/05/529036505.db2.gz ZVZSOXAOUHHVAP-UHFFFAOYSA-N 1 2 286.332 -1.329 20 0 CAADLO CCOC(=O)NCC(=O)NCCC[N@H+]1CCNC(=O)C1 ZINC000494321117 529036509 /nfs/dbraw/zinc/03/65/09/529036509.db2.gz ZVZSOXAOUHHVAP-UHFFFAOYSA-N 1 2 286.332 -1.329 20 0 CAADLO CC(C)[C@H](NC(=O)CN1CC[NH2+]CC1=O)C(N)=O ZINC000157068574 529083873 /nfs/dbraw/zinc/08/38/73/529083873.db2.gz VQLHEADYMQMINM-JTQLQIEISA-N 1 2 256.306 -1.956 20 0 CAADLO CC(C)Nc1nc(NCCO)[nH+]c(NCCC[C@H](C)O)n1 ZINC000343098863 529111356 /nfs/dbraw/zinc/11/13/56/529111356.db2.gz MBLSEAULLVBKSE-JTQLQIEISA-N 1 2 298.391 -1.065 20 0 CAADLO CC(C)Nc1nc(NCCO)nc(NCCC[C@H](C)O)[nH+]1 ZINC000343098863 529111364 /nfs/dbraw/zinc/11/13/64/529111364.db2.gz MBLSEAULLVBKSE-JTQLQIEISA-N 1 2 298.391 -1.065 20 0 CAADLO CC(C)Nc1nc(NCCC[C@H](C)O)nc(NCCO)[nH+]1 ZINC000343098863 529111369 /nfs/dbraw/zinc/11/13/69/529111369.db2.gz MBLSEAULLVBKSE-JTQLQIEISA-N 1 2 298.391 -1.065 20 0 CAADLO CC(C)Nc1nc(N[C@@H]2COC[C@H]2O)nc(NCCO)[nH+]1 ZINC000450838328 529113777 /nfs/dbraw/zinc/11/37/77/529113777.db2.gz XOUHSYVOEJVSFB-RKDXNWHRSA-N 1 2 298.347 -2.467 20 0 CAADLO CC(C)Nc1nc(NCCO)[nH+]c(N[C@@H]2COC[C@H]2O)n1 ZINC000450838328 529113782 /nfs/dbraw/zinc/11/37/82/529113782.db2.gz XOUHSYVOEJVSFB-RKDXNWHRSA-N 1 2 298.347 -2.467 20 0 CAADLO CC(C)Nc1nc(NCCO)nc(N[C@@H]2COC[C@H]2O)[nH+]1 ZINC000450838328 529113785 /nfs/dbraw/zinc/11/37/85/529113785.db2.gz XOUHSYVOEJVSFB-RKDXNWHRSA-N 1 2 298.347 -2.467 20 0 CAADLO CC[NH+]1CCN(C(=O)C(=O)N2CC(=O)N[C@@H](C)C2)CC1 ZINC000459815166 529114279 /nfs/dbraw/zinc/11/42/79/529114279.db2.gz NCAHFJRLZISXNG-JTQLQIEISA-N 1 2 282.344 -1.503 20 0 CAADLO CC(C)Nc1nc(N2C[C@@H](O)C[C@@H]2C)nc(NCCO)[nH+]1 ZINC000343221748 529114686 /nfs/dbraw/zinc/11/46/86/529114686.db2.gz CVPNDHOTTKLNRG-UWVGGRQHSA-N 1 2 296.375 -1.101 20 0 CAADLO CC(C)Nc1nc(NCCO)[nH+]c(N2C[C@@H](O)C[C@@H]2C)n1 ZINC000343221748 529114693 /nfs/dbraw/zinc/11/46/93/529114693.db2.gz CVPNDHOTTKLNRG-UWVGGRQHSA-N 1 2 296.375 -1.101 20 0 CAADLO CC(C)Nc1nc(NCCO)nc(N2C[C@@H](O)C[C@@H]2C)[nH+]1 ZINC000343221748 529114699 /nfs/dbraw/zinc/11/46/99/529114699.db2.gz CVPNDHOTTKLNRG-UWVGGRQHSA-N 1 2 296.375 -1.101 20 0 CAADLO CC(C)Nc1nc(N2C[C@H](O)C[C@H]2C)nc(NCCO)[nH+]1 ZINC000343221744 529114979 /nfs/dbraw/zinc/11/49/79/529114979.db2.gz CVPNDHOTTKLNRG-NXEZZACHSA-N 1 2 296.375 -1.101 20 0 CAADLO CC(C)Nc1nc(NCCO)[nH+]c(N2C[C@H](O)C[C@H]2C)n1 ZINC000343221744 529114984 /nfs/dbraw/zinc/11/49/84/529114984.db2.gz CVPNDHOTTKLNRG-NXEZZACHSA-N 1 2 296.375 -1.101 20 0 CAADLO CC(C)Nc1nc(NCCO)nc(N2C[C@H](O)C[C@H]2C)[nH+]1 ZINC000343221744 529114987 /nfs/dbraw/zinc/11/49/87/529114987.db2.gz CVPNDHOTTKLNRG-NXEZZACHSA-N 1 2 296.375 -1.101 20 0 CAADLO CCN1CCN(C(=O)C(=O)N2CC[NH+](CC)CC2)CC1=O ZINC000459802562 529116402 /nfs/dbraw/zinc/11/64/02/529116402.db2.gz AVWFIDCHEZAKDB-UHFFFAOYSA-N 1 2 296.371 -1.159 20 0 CAADLO CC[NH+]1CCN(C(=O)C(=O)NCCCn2ccnn2)CC1 ZINC000354579553 529119819 /nfs/dbraw/zinc/11/98/19/529119819.db2.gz VHXVOQCZOWPVHT-UHFFFAOYSA-N 1 2 294.359 -1.052 20 0 CAADLO CC[NH+]1CCN(C(=O)C(=O)N2C[C@H](C)O[C@H](CO)C2)CC1 ZINC000459819600 529120066 /nfs/dbraw/zinc/12/00/66/529120066.db2.gz RNYRBKZDUCRBCR-RYUDHWBXSA-N 1 2 299.371 -1.241 20 0 CAADLO CC[NH+]1CCN(C(=O)C(=O)N2C[C@H](CO)O[C@@H](C)C2)CC1 ZINC000459819592 529120153 /nfs/dbraw/zinc/12/01/53/529120153.db2.gz RNYRBKZDUCRBCR-NWDGAFQWSA-N 1 2 299.371 -1.241 20 0 CAADLO CCN(C)C(=O)CNC(=O)C(=O)N1CC[NH+](CC)CC1 ZINC000344843873 529122155 /nfs/dbraw/zinc/12/21/55/529122155.db2.gz ZPYFEBCGRVMOGR-UHFFFAOYSA-N 1 2 284.360 -1.255 20 0 CAADLO CC[NH+]1CCN(C(=O)CN2CCS(=O)(=O)CC2)CC1 ZINC000131645795 529124850 /nfs/dbraw/zinc/12/48/50/529124850.db2.gz QJRULJJXYTZLRY-UHFFFAOYSA-N 1 2 289.401 -1.119 20 0 CAADLO CC(C)NC(=O)C[N@H+](C)CC(=O)NC[C@]1(O)CCOC1 ZINC000339309884 529127523 /nfs/dbraw/zinc/12/75/23/529127523.db2.gz DKOBHCMODXVMAX-CYBMUJFWSA-N 1 2 287.360 -1.290 20 0 CAADLO CC(C)NC(=O)C[N@@H+](C)CC(=O)NC[C@]1(O)CCOC1 ZINC000339309884 529127524 /nfs/dbraw/zinc/12/75/24/529127524.db2.gz DKOBHCMODXVMAX-CYBMUJFWSA-N 1 2 287.360 -1.290 20 0 CAADLO CC[C@H](C)[C@@H](NC(=O)C[N@H+]1C[C@@H](O)[C@@H](O)C1)C(=O)OC ZINC000093092054 529215463 /nfs/dbraw/zinc/21/54/63/529215463.db2.gz LNJLIBZADCBDBU-UXCLJVHYSA-N 1 2 288.344 -1.272 20 0 CAADLO CC[C@H](C)[C@@H](NC(=O)C[N@@H+]1C[C@@H](O)[C@@H](O)C1)C(=O)OC ZINC000093092054 529215465 /nfs/dbraw/zinc/21/54/65/529215465.db2.gz LNJLIBZADCBDBU-UXCLJVHYSA-N 1 2 288.344 -1.272 20 0 CAADLO CC[C@@H](OC)C(=O)NCC(=O)NCC[NH+]1CCOCC1 ZINC000347906415 529240114 /nfs/dbraw/zinc/24/01/14/529240114.db2.gz WHFWIUOVCLOGIU-LLVKDONJSA-N 1 2 287.360 -1.024 20 0 CAADLO CC[C@H]1C[N@H+](CCNC(=O)CS(=O)(=O)NC)CCO1 ZINC000428071280 529291973 /nfs/dbraw/zinc/29/19/73/529291973.db2.gz FQPJJLWPMGUNDW-JTQLQIEISA-N 1 2 293.389 -1.237 20 0 CAADLO CC[C@H]1C[N@@H+](CCNC(=O)CS(=O)(=O)NC)CCO1 ZINC000428071280 529291974 /nfs/dbraw/zinc/29/19/74/529291974.db2.gz FQPJJLWPMGUNDW-JTQLQIEISA-N 1 2 293.389 -1.237 20 0 CAADLO CC[C@H](CCO)CNC(=O)CN1CC[NH2+]CC1=O ZINC000159126652 529323817 /nfs/dbraw/zinc/32/38/17/529323817.db2.gz ZTYMQUGNYWFHLI-SNVBAGLBSA-N 1 2 257.334 -1.057 20 0 CAADLO Cn1cc(N2CC[C@@H]([N@H+]3C[C@@H](O)[C@@H](O)C3)C2=O)cn1 ZINC000328598004 545497352 /nfs/dbraw/zinc/49/73/52/545497352.db2.gz AUVVGIVEUMHIDF-MXWKQRLJSA-N 1 2 266.301 -1.437 20 0 CAADLO Cn1cc(N2CC[C@@H]([N@@H+]3C[C@@H](O)[C@@H](O)C3)C2=O)cn1 ZINC000328598004 545497355 /nfs/dbraw/zinc/49/73/55/545497355.db2.gz AUVVGIVEUMHIDF-MXWKQRLJSA-N 1 2 266.301 -1.437 20 0 CAADLO C[C@H]1COCC[N@@H+]1CCNC(=O)[C@H]1CN(C)C(=O)N1 ZINC000668255322 545497381 /nfs/dbraw/zinc/49/73/81/545497381.db2.gz XTNCQTPZIJKQHE-VHSXEESVSA-N 1 2 270.333 -1.153 20 0 CAADLO C[C@H]1COCC[N@H+]1CCNC(=O)[C@H]1CN(C)C(=O)N1 ZINC000668255322 545497383 /nfs/dbraw/zinc/49/73/83/545497383.db2.gz XTNCQTPZIJKQHE-VHSXEESVSA-N 1 2 270.333 -1.153 20 0 CAADLO C[C@H]1COCC[N@@H+]1CCNC(=O)C1(n2cnnn2)CC1 ZINC000668253547 545497451 /nfs/dbraw/zinc/49/74/51/545497451.db2.gz FVDWVEJXLDPKRM-JTQLQIEISA-N 1 2 280.332 -1.001 20 0 CAADLO C[C@H]1COCC[N@H+]1CCNC(=O)C1(n2cnnn2)CC1 ZINC000668253547 545497453 /nfs/dbraw/zinc/49/74/53/545497453.db2.gz FVDWVEJXLDPKRM-JTQLQIEISA-N 1 2 280.332 -1.001 20 0 CAADLO Cn1cc[nH+]c1CN1CCN(C(=O)[C@H]2CC(=O)N2)CC1 ZINC000668365229 545497622 /nfs/dbraw/zinc/49/76/22/545497622.db2.gz FSBSFPQOJUSUNG-SNVBAGLBSA-N 1 2 277.328 -1.047 20 0 CAADLO Cn1cc[nH+]c1CN1CCN(C(=O)[C@@H]2CC(=O)N2)CC1 ZINC000668365228 545497711 /nfs/dbraw/zinc/49/77/11/545497711.db2.gz FSBSFPQOJUSUNG-JTQLQIEISA-N 1 2 277.328 -1.047 20 0 CAADLO Cn1cc(C[NH+]2CCN(C(=O)[C@H]3CC(=O)N3)CC2)cn1 ZINC000668368271 545497976 /nfs/dbraw/zinc/49/79/76/545497976.db2.gz XGSMDXLKERBBAM-LLVKDONJSA-N 1 2 277.328 -1.047 20 0 CAADLO CNS(=O)(=O)[C@@H]1CC[N@@H+]([C@H]2CCN(C)C2=O)C1 ZINC000676738656 545499296 /nfs/dbraw/zinc/49/92/96/545499296.db2.gz BYVHDJDNNPPJFV-BDAKNGLRSA-N 1 2 261.347 -1.159 20 0 CAADLO CNS(=O)(=O)[C@@H]1CC[N@H+]([C@H]2CCN(C)C2=O)C1 ZINC000676738656 545499297 /nfs/dbraw/zinc/49/92/97/545499297.db2.gz BYVHDJDNNPPJFV-BDAKNGLRSA-N 1 2 261.347 -1.159 20 0 CAADLO Cn1nnnc1CN(CCO)CC[NH+]1CCOCC1 ZINC000444393083 545501438 /nfs/dbraw/zinc/50/14/38/545501438.db2.gz DPFSATHOGXUGTD-UHFFFAOYSA-N 1 2 270.337 -1.663 20 0 CAADLO O=C(CCn1cncn1)N(CCO)CC[NH+]1CCOCC1 ZINC000130347563 545501912 /nfs/dbraw/zinc/50/19/12/545501912.db2.gz AKDHDSZOIYIUBX-UHFFFAOYSA-N 1 2 297.359 -1.179 20 0 CAADLO O=C(CNC(=O)[C@@H](O)C1CC1)NCC[NH+]1CCOCC1 ZINC000668586944 545502115 /nfs/dbraw/zinc/50/21/15/545502115.db2.gz HQXRXWIFFLJILH-LBPRGKRZSA-N 1 2 285.344 -1.678 20 0 CAADLO CC1(C)C(=O)NCC[N@H+]1CCN1C(=O)CNC1=O ZINC000108862009 545502719 /nfs/dbraw/zinc/50/27/19/545502719.db2.gz PCOMVFZAZIOQQE-UHFFFAOYSA-N 1 2 254.290 -1.251 20 0 CAADLO CC1(C)C(=O)NCC[N@@H+]1CCN1C(=O)CNC1=O ZINC000108862009 545502722 /nfs/dbraw/zinc/50/27/22/545502722.db2.gz PCOMVFZAZIOQQE-UHFFFAOYSA-N 1 2 254.290 -1.251 20 0 CAADLO O=C(CNC(=O)[C@H]1[C@@H]2COC[C@@H]21)NCC[NH+]1CCOCC1 ZINC000668587322 545502889 /nfs/dbraw/zinc/50/28/89/545502889.db2.gz RZDSSILDOPJDSF-PJXYFTJBSA-N 1 2 297.355 -1.557 20 0 CAADLO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)[C@@H]1CN(C)C(=O)N1 ZINC000668395109 545498543 /nfs/dbraw/zinc/49/85/43/545498543.db2.gz BRNDOHZGWAGKOQ-QWRGUYRKSA-N 1 2 283.376 -1.238 20 0 CAADLO CCN1C[C@H](CNC(=O)CN2CC[NH2+]CC2=O)CC1=O ZINC000653250925 545505077 /nfs/dbraw/zinc/50/50/77/545505077.db2.gz MJUVSTOYFMQYGA-JTQLQIEISA-N 1 2 282.344 -1.597 20 0 CAADLO NC(=O)CCCC(=O)N(CCO)CC[NH+]1CCOCC1 ZINC000427059078 545505646 /nfs/dbraw/zinc/50/56/46/545505646.db2.gz JDPFIZOBIKXRAJ-UHFFFAOYSA-N 1 2 287.360 -1.205 20 0 CAADLO C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)[C@@H]2CC(=O)N2)CC1 ZINC000665785927 545506190 /nfs/dbraw/zinc/50/61/90/545506190.db2.gz FRYWNFWHEXRQLY-KOLCDFICSA-N 1 2 294.355 -1.314 20 0 CAADLO C[C@H]1CN(C(=O)C[N@H+]2C[C@@H](O)[C@@H](O)C2)C[C@H](C)O1 ZINC000093092081 545507759 /nfs/dbraw/zinc/50/77/59/545507759.db2.gz GIDXKLUXIGCUEY-XWLWVQCSSA-N 1 2 258.318 -1.340 20 0 CAADLO C[C@H]1CN(C(=O)C[N@@H+]2C[C@@H](O)[C@@H](O)C2)C[C@H](C)O1 ZINC000093092081 545507764 /nfs/dbraw/zinc/50/77/64/545507764.db2.gz GIDXKLUXIGCUEY-XWLWVQCSSA-N 1 2 258.318 -1.340 20 0 CAADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)[C@@H]1CCC(=O)N1C ZINC000329555921 545508854 /nfs/dbraw/zinc/50/88/54/545508854.db2.gz QFIFDDDUSMXTDV-NEPJUHHUSA-N 1 2 299.371 -1.241 20 0 CAADLO CNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](S(N)(=O)=O)C1 ZINC000359506896 545509876 /nfs/dbraw/zinc/50/98/76/545509876.db2.gz KENOGVWZTILGSA-JGVFFNPUSA-N 1 2 292.361 -1.417 20 0 CAADLO CNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@@H](S(N)(=O)=O)C1 ZINC000359506896 545509878 /nfs/dbraw/zinc/50/98/78/545509878.db2.gz KENOGVWZTILGSA-JGVFFNPUSA-N 1 2 292.361 -1.417 20 0 CAADLO CC(C)N1CC[C@H]([N@@H+]2CCN3C(=O)C(=O)NC[C@@H]3C2)C1=O ZINC000152792377 545511118 /nfs/dbraw/zinc/51/11/18/545511118.db2.gz GCTAHIREYQSLII-MNOVXSKESA-N 1 2 294.355 -1.362 20 0 CAADLO CC(C)N1CC[C@H]([N@H+]2CCN3C(=O)C(=O)NC[C@@H]3C2)C1=O ZINC000152792377 545511123 /nfs/dbraw/zinc/51/11/23/545511123.db2.gz GCTAHIREYQSLII-MNOVXSKESA-N 1 2 294.355 -1.362 20 0 CAADLO O=C(N[C@@H]1CCOC1)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000668819826 545511909 /nfs/dbraw/zinc/51/19/09/545511909.db2.gz PSXZVRZGJJUCGD-VXGBXAGGSA-N 1 2 297.355 -1.175 20 0 CAADLO O=C(N[C@@H]1CCOC1)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000668819816 545511951 /nfs/dbraw/zinc/51/19/51/545511951.db2.gz PSXZVRZGJJUCGD-NEPJUHHUSA-N 1 2 297.355 -1.175 20 0 CAADLO C[C@H]1C[N@H+](CCNC(=O)[C@@H]2CCS(=O)(=O)N2)CCO1 ZINC000651222889 545515793 /nfs/dbraw/zinc/51/57/93/545515793.db2.gz NISBWDOZFAVEQM-UWVGGRQHSA-N 1 2 291.373 -1.485 20 0 CAADLO C[C@H]1C[N@@H+](CCNC(=O)[C@@H]2CCS(=O)(=O)N2)CCO1 ZINC000651222889 545515796 /nfs/dbraw/zinc/51/57/96/545515796.db2.gz NISBWDOZFAVEQM-UWVGGRQHSA-N 1 2 291.373 -1.485 20 0 CAADLO C[C@H]1C[N@H+](CCNC(=O)[C@H]2CCS(=O)(=O)N2)CCO1 ZINC000651222890 545516313 /nfs/dbraw/zinc/51/63/13/545516313.db2.gz NISBWDOZFAVEQM-VHSXEESVSA-N 1 2 291.373 -1.485 20 0 CAADLO C[C@H]1C[N@@H+](CCNC(=O)[C@H]2CCS(=O)(=O)N2)CCO1 ZINC000651222890 545516315 /nfs/dbraw/zinc/51/63/15/545516315.db2.gz NISBWDOZFAVEQM-VHSXEESVSA-N 1 2 291.373 -1.485 20 0 CAADLO C[C@@H]1C[N@H+](CCNC(=O)[C@@H]2CCS(=O)(=O)N2)CCO1 ZINC000651222891 545516522 /nfs/dbraw/zinc/51/65/22/545516522.db2.gz NISBWDOZFAVEQM-ZJUUUORDSA-N 1 2 291.373 -1.485 20 0 CAADLO C[C@@H]1C[N@@H+](CCNC(=O)[C@@H]2CCS(=O)(=O)N2)CCO1 ZINC000651222891 545516527 /nfs/dbraw/zinc/51/65/27/545516527.db2.gz NISBWDOZFAVEQM-ZJUUUORDSA-N 1 2 291.373 -1.485 20 0 CAADLO O=C([C@@H]1CC(=O)N1)N1CC[NH+](CCn2cncn2)CC1 ZINC000669058378 545519035 /nfs/dbraw/zinc/51/90/35/545519035.db2.gz QNHCYSZUJMTDKX-JTQLQIEISA-N 1 2 278.316 -1.689 20 0 CAADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@H]1CN(C)C(=O)N1 ZINC000666430544 545519717 /nfs/dbraw/zinc/51/97/17/545519717.db2.gz WPBYTHXMLYPGLF-VHSXEESVSA-N 1 2 270.333 -1.153 20 0 CAADLO C[C@H](C[NH+]1CCOCC1)NC(=O)[C@H]1CCNC1=O ZINC000666430434 545519805 /nfs/dbraw/zinc/51/98/05/545519805.db2.gz UOQCMDFYCIPOJQ-ZJUUUORDSA-N 1 2 255.318 -1.041 20 0 CAADLO Cc1noc(CN(C)C(=O)CN2CC[NH2+]CC2=O)n1 ZINC000655527509 545521090 /nfs/dbraw/zinc/52/10/90/545521090.db2.gz VFWMJQMMKKXELG-UHFFFAOYSA-N 1 2 267.289 -1.232 20 0 CAADLO O=C(CN1CCOCC1=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000365675787 545522259 /nfs/dbraw/zinc/52/22/59/545522259.db2.gz JMIRGCFHHVSVMS-LLVKDONJSA-N 1 2 282.344 -2.039 20 0 CAADLO COCCCNC(=O)C[N@H+](C)CCNS(C)(=O)=O ZINC000337351789 545522565 /nfs/dbraw/zinc/52/25/65/545522565.db2.gz WZANVEBWDLFEAA-UHFFFAOYSA-N 1 2 281.378 -1.380 20 0 CAADLO COCCCNC(=O)C[N@@H+](C)CCNS(C)(=O)=O ZINC000337351789 545522566 /nfs/dbraw/zinc/52/25/66/545522566.db2.gz WZANVEBWDLFEAA-UHFFFAOYSA-N 1 2 281.378 -1.380 20 0 CAADLO O=c1ccccn1CC[N@@H+]1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC000675893296 545522772 /nfs/dbraw/zinc/52/27/72/545522772.db2.gz FGBVRFYUPHRDLT-NSHDSACASA-N 1 2 290.323 -1.509 20 0 CAADLO O=c1ccccn1CC[N@H+]1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC000675893296 545522774 /nfs/dbraw/zinc/52/27/74/545522774.db2.gz FGBVRFYUPHRDLT-NSHDSACASA-N 1 2 290.323 -1.509 20 0 CAADLO COC(=O)[C@H]1CNC(=O)CN1CC[N@@H+]1CCO[C@@H](C)C1 ZINC000337362109 545522804 /nfs/dbraw/zinc/52/28/04/545522804.db2.gz HERNPYKWOJLQAN-WDEREUQCSA-N 1 2 285.344 -1.320 20 0 CAADLO COC(=O)[C@H]1CNC(=O)CN1CC[N@H+]1CCO[C@@H](C)C1 ZINC000337362109 545522808 /nfs/dbraw/zinc/52/28/08/545522808.db2.gz HERNPYKWOJLQAN-WDEREUQCSA-N 1 2 285.344 -1.320 20 0 CAADLO C[C@@H](NC(=O)Cn1cnnn1)[C@@H](C)[NH+]1CCOCC1 ZINC000332787023 545523886 /nfs/dbraw/zinc/52/38/86/545523886.db2.gz MSJKGPHCGDJYBW-NXEZZACHSA-N 1 2 268.321 -1.102 20 0 CAADLO O=C(C[N@H+]1[C@@H]2CC[C@H]1CNC(=O)C2)N1CCNC(=O)C1 ZINC000332969309 545524764 /nfs/dbraw/zinc/52/47/64/545524764.db2.gz JVBRAWRYKLHLES-ZJUUUORDSA-N 1 2 280.328 -1.702 20 0 CAADLO O=C(C[N@@H+]1[C@@H]2CC[C@H]1CNC(=O)C2)N1CCNC(=O)C1 ZINC000332969309 545524771 /nfs/dbraw/zinc/52/47/71/545524771.db2.gz JVBRAWRYKLHLES-ZJUUUORDSA-N 1 2 280.328 -1.702 20 0 CAADLO CC(C)(C)NC(=O)CNC(=O)CN1CC[NH2+]CC1=O ZINC000645222596 545526006 /nfs/dbraw/zinc/52/60/06/545526006.db2.gz WAWIXAIPVCWQRK-UHFFFAOYSA-N 1 2 270.333 -1.551 20 0 CAADLO O=C(CN1CC[NH2+]CC1=O)NC[C@@H](CO)Cc1ccco1 ZINC000645410076 545534614 /nfs/dbraw/zinc/53/46/14/545534614.db2.gz RFKNEUYFSGQYEM-NSHDSACASA-N 1 2 295.339 -1.021 20 0 CAADLO Cn1c(N)c(C(=O)C[N@H+](C)CCCO)c(=O)n(C)c1=O ZINC000281935606 545529675 /nfs/dbraw/zinc/52/96/75/545529675.db2.gz SUZDDSPZJVHXPA-UHFFFAOYSA-N 1 2 284.316 -1.837 20 0 CAADLO Cn1c(N)c(C(=O)C[N@@H+](C)CCCO)c(=O)n(C)c1=O ZINC000281935606 545529678 /nfs/dbraw/zinc/52/96/78/545529678.db2.gz SUZDDSPZJVHXPA-UHFFFAOYSA-N 1 2 284.316 -1.837 20 0 CAADLO C[C@@H]1C[N@H+](CCNC(=O)C2(n3cnnn3)CC2)CCO1 ZINC000667815146 545530398 /nfs/dbraw/zinc/53/03/98/545530398.db2.gz LAOHSZDZEFTGBU-SNVBAGLBSA-N 1 2 280.332 -1.001 20 0 CAADLO C[C@@H]1C[N@@H+](CCNC(=O)C2(n3cnnn3)CC2)CCO1 ZINC000667815146 545530404 /nfs/dbraw/zinc/53/04/04/545530404.db2.gz LAOHSZDZEFTGBU-SNVBAGLBSA-N 1 2 280.332 -1.001 20 0 CAADLO C[C@H]1C[N@H+](CCNC(=O)C2(n3cnnn3)CC2)CCO1 ZINC000667815145 545530729 /nfs/dbraw/zinc/53/07/29/545530729.db2.gz LAOHSZDZEFTGBU-JTQLQIEISA-N 1 2 280.332 -1.001 20 0 CAADLO C[C@H]1C[N@@H+](CCNC(=O)C2(n3cnnn3)CC2)CCO1 ZINC000667815145 545530731 /nfs/dbraw/zinc/53/07/31/545530731.db2.gz LAOHSZDZEFTGBU-JTQLQIEISA-N 1 2 280.332 -1.001 20 0 CAADLO C[C@@H]1C[N@H+](CCNC(=O)[C@@H]2CN(C)C(=O)N2)CCO1 ZINC000667816134 545531101 /nfs/dbraw/zinc/53/11/01/545531101.db2.gz LEQZGUSUZZNGTO-ZJUUUORDSA-N 1 2 270.333 -1.153 20 0 CAADLO C[C@@H]1C[N@@H+](CCNC(=O)[C@@H]2CN(C)C(=O)N2)CCO1 ZINC000667816134 545531104 /nfs/dbraw/zinc/53/11/04/545531104.db2.gz LEQZGUSUZZNGTO-ZJUUUORDSA-N 1 2 270.333 -1.153 20 0 CAADLO CC(C)N1CC[C@@H]([N@@H+]2CCN3C(=O)C(=O)NC[C@H]3C2)C1=O ZINC000247959902 545531505 /nfs/dbraw/zinc/53/15/05/545531505.db2.gz GCTAHIREYQSLII-WDEREUQCSA-N 1 2 294.355 -1.362 20 0 CAADLO CC(C)N1CC[C@@H]([N@H+]2CCN3C(=O)C(=O)NC[C@H]3C2)C1=O ZINC000247959902 545531510 /nfs/dbraw/zinc/53/15/10/545531510.db2.gz GCTAHIREYQSLII-WDEREUQCSA-N 1 2 294.355 -1.362 20 0 CAADLO CN1CCN(S(=O)(=O)NCC(F)(F)F)[C@@H](C[NH3+])C1 ZINC000229335330 545531889 /nfs/dbraw/zinc/53/18/89/545531889.db2.gz HEUXVJRQIXHQQE-ZETCQYMHSA-N 1 2 290.311 -1.042 20 0 CAADLO CCS(=O)(=O)CC(=O)N[C@H](CO)C[NH+](C)C ZINC000673519288 545532285 /nfs/dbraw/zinc/53/22/85/545532285.db2.gz BEMZLUHIVXTKSD-QMMMGPOBSA-N 1 2 252.336 -1.540 20 0 CAADLO C[NH+](C)C[C@@H](CO)NC(=O)C(C)(C)S(C)(=O)=O ZINC000673521630 545533527 /nfs/dbraw/zinc/53/35/27/545533527.db2.gz DGYIQIQSBUGIHT-QMMMGPOBSA-N 1 2 266.363 -1.152 20 0 CAADLO CCOC(=O)[C@](C)(O)C[N@@H+]1C[C@H](O)C[C@H]1C(=O)OC ZINC000352046681 545535922 /nfs/dbraw/zinc/53/59/22/545535922.db2.gz VJMGJFZCJHQVLS-VDDIYKPWSA-N 1 2 275.301 -1.091 20 0 CAADLO CCOC(=O)[C@](C)(O)C[N@H+]1C[C@H](O)C[C@H]1C(=O)OC ZINC000352046681 545535931 /nfs/dbraw/zinc/53/59/31/545535931.db2.gz VJMGJFZCJHQVLS-VDDIYKPWSA-N 1 2 275.301 -1.091 20 0 CAADLO C[C@H](C[NH+]1CCOCC1)NC(=O)C(=O)N[C@H]1CCOC1 ZINC000670999235 545539177 /nfs/dbraw/zinc/53/91/77/545539177.db2.gz HUQUFONKBPTCIA-MNOVXSKESA-N 1 2 285.344 -1.272 20 0 CAADLO C[C@H](C[NH+]1CCOCC1)NC(=O)C(=O)N(C)C[C@H](C)O ZINC000670999403 545539214 /nfs/dbraw/zinc/53/92/14/545539214.db2.gz QRLOPCMQNRMYQY-MNOVXSKESA-N 1 2 287.360 -1.338 20 0 CAADLO O=C(Cc1cc[nH]n1)N[C@@H](CO)C[NH+]1CCOCC1 ZINC000339220284 545539680 /nfs/dbraw/zinc/53/96/80/545539680.db2.gz ZQULBRWTNCXNFV-LLVKDONJSA-N 1 2 268.317 -1.239 20 0 CAADLO CC1(C(N)=O)C[NH+](CC(=O)NCCCN2CCCC2=O)C1 ZINC000645957234 545554510 /nfs/dbraw/zinc/55/45/10/545554510.db2.gz BZUJGYHUCOKZGV-UHFFFAOYSA-N 1 2 296.371 -1.078 20 0 CAADLO O=C([C@@H]1CCCC(=O)N1)N(CCO)CC[NH+]1CCOCC1 ZINC000340263941 545542867 /nfs/dbraw/zinc/54/28/67/545542867.db2.gz AXAZGTRZBHRVMO-LBPRGKRZSA-N 1 2 299.371 -1.192 20 0 CAADLO NC(=O)C1(C(=O)N(CCO)CC[NH+]2CCOCC2)CCC1 ZINC000669908299 545555717 /nfs/dbraw/zinc/55/57/17/545555717.db2.gz NIMZDOHEAQMEOX-UHFFFAOYSA-N 1 2 299.371 -1.205 20 0 CAADLO CN(C)c1nc(N)nc(C(=O)N2CC[NH+](C)CC2)n1 ZINC000653015112 545545519 /nfs/dbraw/zinc/54/55/19/545545519.db2.gz FGRYXIZJZRWJOB-UHFFFAOYSA-N 1 2 265.321 -1.262 20 0 CAADLO Cn1cc(CN(CCO)CC[NH+]2CCOCC2)nn1 ZINC000341572704 545547639 /nfs/dbraw/zinc/54/76/39/545547639.db2.gz HGTGMNBOGQDUBS-UHFFFAOYSA-N 1 2 269.349 -1.058 20 0 CAADLO O=C(Cn1cnnn1)N(CCO)CC[NH+]1CCOCC1 ZINC000343106482 545548764 /nfs/dbraw/zinc/54/87/64/545548764.db2.gz NJDWMHUIRRCPMW-UHFFFAOYSA-N 1 2 284.320 -2.174 20 0 CAADLO NC(=O)CN(C(=O)CN1CC[NH2+]CC1=O)C1CCCC1 ZINC000237874238 545549128 /nfs/dbraw/zinc/54/91/28/545549128.db2.gz MNZNZVDGFZKMJM-UHFFFAOYSA-N 1 2 282.344 -1.325 20 0 CAADLO C[C@H](C(=O)N(CCO)CC[NH+]1CCOCC1)n1cncn1 ZINC000152351938 545549146 /nfs/dbraw/zinc/54/91/46/545549146.db2.gz GYPSSJSDBNAGCJ-GFCCVEGCSA-N 1 2 297.359 -1.008 20 0 CAADLO C[C@@H](C(=O)N(CCO)CC[NH+]1CCOCC1)n1cncn1 ZINC000152351856 545549646 /nfs/dbraw/zinc/54/96/46/545549646.db2.gz GYPSSJSDBNAGCJ-LBPRGKRZSA-N 1 2 297.359 -1.008 20 0 CAADLO COC[C@H](O)C[N@@H+]1CCN(S(C)(=O)=O)[C@H](C)C1 ZINC000345799889 545549765 /nfs/dbraw/zinc/54/97/65/545549765.db2.gz BWLKFWRNMRFUKO-NXEZZACHSA-N 1 2 266.363 -1.041 20 0 CAADLO COC[C@H](O)C[N@H+]1CCN(S(C)(=O)=O)[C@H](C)C1 ZINC000345799889 545549768 /nfs/dbraw/zinc/54/97/68/545549768.db2.gz BWLKFWRNMRFUKO-NXEZZACHSA-N 1 2 266.363 -1.041 20 0 CAADLO C[C@@H]1CN(C[C@@H](O)C[NH+]2CCOCC2)CC(=O)N1C ZINC000669700183 545550200 /nfs/dbraw/zinc/55/02/00/545550200.db2.gz ROUWFBGXEPYGHY-NEPJUHHUSA-N 1 2 271.361 -1.158 20 0 CAADLO C[C@@H]1C[N@H+](C[C@@H](O)CN2CCOCC2)CC(=O)N1C ZINC000669700183 545550203 /nfs/dbraw/zinc/55/02/03/545550203.db2.gz ROUWFBGXEPYGHY-NEPJUHHUSA-N 1 2 271.361 -1.158 20 0 CAADLO C[C@@H]1C[N@@H+](C[C@@H](O)CN2CCOCC2)CC(=O)N1C ZINC000669700183 545550208 /nfs/dbraw/zinc/55/02/08/545550208.db2.gz ROUWFBGXEPYGHY-NEPJUHHUSA-N 1 2 271.361 -1.158 20 0 CAADLO CC(=O)NCC(=O)N(CCO)CC[NH+]1CCOCC1 ZINC000344830392 545550230 /nfs/dbraw/zinc/55/02/30/545550230.db2.gz AZZWNLDHDKXUFE-UHFFFAOYSA-N 1 2 273.333 -1.724 20 0 CAADLO CC(=O)N[C@H](C)C(=O)N(CCO)CC[NH+]1CCOCC1 ZINC000344880534 545550370 /nfs/dbraw/zinc/55/03/70/545550370.db2.gz RUAPWURGOCGNEE-LLVKDONJSA-N 1 2 287.360 -1.336 20 0 CAADLO C[C@H]1CN(C[C@@H](O)C[NH+]2CCOCC2)CC(=O)N1C ZINC000669700185 545550576 /nfs/dbraw/zinc/55/05/76/545550576.db2.gz ROUWFBGXEPYGHY-RYUDHWBXSA-N 1 2 271.361 -1.158 20 0 CAADLO C[C@H]1C[N@H+](C[C@@H](O)CN2CCOCC2)CC(=O)N1C ZINC000669700185 545550582 /nfs/dbraw/zinc/55/05/82/545550582.db2.gz ROUWFBGXEPYGHY-RYUDHWBXSA-N 1 2 271.361 -1.158 20 0 CAADLO C[C@H]1C[N@@H+](C[C@@H](O)CN2CCOCC2)CC(=O)N1C ZINC000669700185 545550587 /nfs/dbraw/zinc/55/05/87/545550587.db2.gz ROUWFBGXEPYGHY-RYUDHWBXSA-N 1 2 271.361 -1.158 20 0 CAADLO Cn1ccc(NC(=O)N2CC[NH+](CCO)CC2)n1 ZINC000447365621 545551827 /nfs/dbraw/zinc/55/18/27/545551827.db2.gz HLFKBLUJBSNRSD-UHFFFAOYSA-N 1 2 253.306 -0.438 20 0 CAADLO NC(=O)CN1CC[N@H+](CC[C@@H]2CCNC2=O)CC1=O ZINC000653760109 545553015 /nfs/dbraw/zinc/55/30/15/545553015.db2.gz HMWRGUKPCPPHEG-VIFPVBQESA-N 1 2 268.317 -1.858 20 0 CAADLO NC(=O)CN1CC[N@@H+](CC[C@@H]2CCNC2=O)CC1=O ZINC000653760109 545553018 /nfs/dbraw/zinc/55/30/18/545553018.db2.gz HMWRGUKPCPPHEG-VIFPVBQESA-N 1 2 268.317 -1.858 20 0 CAADLO CCS(=O)(=O)N[C@@H](C)C(=O)N1CC[NH+](CCO)CC1 ZINC000666190388 545553717 /nfs/dbraw/zinc/55/37/17/545553717.db2.gz MQCPMSQNGNCKOI-JTQLQIEISA-N 1 2 293.389 -1.549 20 0 CAADLO COC[C@H]1C[C@@H](O)C[N@@H+]1CC(=O)N[C@H](C)C(=O)N(C)C ZINC000649761962 545566024 /nfs/dbraw/zinc/56/60/24/545566024.db2.gz RQFVMHIJOCAEAL-GMTAPVOTSA-N 1 2 287.360 -1.339 20 0 CAADLO COC[C@H]1C[C@@H](O)C[N@H+]1CC(=O)N[C@H](C)C(=O)N(C)C ZINC000649761962 545566027 /nfs/dbraw/zinc/56/60/27/545566027.db2.gz RQFVMHIJOCAEAL-GMTAPVOTSA-N 1 2 287.360 -1.339 20 0 CAADLO C[C@@H](CC(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1)NC(N)=O ZINC000654847025 545568081 /nfs/dbraw/zinc/56/80/81/545568081.db2.gz XIEZFJGXTHTLQJ-VIFPVBQESA-N 1 2 299.375 -1.159 20 0 CAADLO Cn1nncc1C[N@H+](CCO)CCN1CCOCC1 ZINC000352246622 545568377 /nfs/dbraw/zinc/56/83/77/545568377.db2.gz QOZGABFTXRUOBO-UHFFFAOYSA-N 1 2 269.349 -1.058 20 0 CAADLO Cn1nncc1C[N@@H+](CCO)CCN1CCOCC1 ZINC000352246622 545568382 /nfs/dbraw/zinc/56/83/82/545568382.db2.gz QOZGABFTXRUOBO-UHFFFAOYSA-N 1 2 269.349 -1.058 20 0 CAADLO Cn1nncc1CN(CCO)CC[NH+]1CCOCC1 ZINC000352246622 545568390 /nfs/dbraw/zinc/56/83/90/545568390.db2.gz QOZGABFTXRUOBO-UHFFFAOYSA-N 1 2 269.349 -1.058 20 0 CAADLO NC(=O)[C@@H]1CC[C@@H]1C(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000654933120 545569070 /nfs/dbraw/zinc/56/90/70/545569070.db2.gz RHECNBSDITXZJP-AXFHLTTASA-N 1 2 266.345 -1.386 20 0 CAADLO C[C@@H](C(=O)NCCN1CCNC(=O)C1)[NH+]1CCOCC1 ZINC000654991579 545569384 /nfs/dbraw/zinc/56/93/84/545569384.db2.gz UDECPXPYLKEWPW-NSHDSACASA-N 1 2 284.360 -1.745 20 0 CAADLO NC(=O)[C@@H]1CC[C@H]1C(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000654933122 545569446 /nfs/dbraw/zinc/56/94/46/545569446.db2.gz RHECNBSDITXZJP-HBNTYKKESA-N 1 2 266.345 -1.386 20 0 CAADLO NC(=O)[C@H]1CC[C@H]1C(=O)NCCC[N@@H+]1CCNC(=O)C1 ZINC000654950180 545569520 /nfs/dbraw/zinc/56/95/20/545569520.db2.gz LFAGIJAFWFNZBY-VHSXEESVSA-N 1 2 282.344 -1.564 20 0 CAADLO NC(=O)[C@H]1CC[C@H]1C(=O)NCCC[N@H+]1CCNC(=O)C1 ZINC000654950180 545569524 /nfs/dbraw/zinc/56/95/24/545569524.db2.gz LFAGIJAFWFNZBY-VHSXEESVSA-N 1 2 282.344 -1.564 20 0 CAADLO NC(=O)[C@H]1CC[C@@H]1C(=O)NCCC[N@@H+]1CCNC(=O)C1 ZINC000654950178 545569563 /nfs/dbraw/zinc/56/95/63/545569563.db2.gz LFAGIJAFWFNZBY-UWVGGRQHSA-N 1 2 282.344 -1.564 20 0 CAADLO NC(=O)[C@H]1CC[C@@H]1C(=O)NCCC[N@H+]1CCNC(=O)C1 ZINC000654950178 545569567 /nfs/dbraw/zinc/56/95/67/545569567.db2.gz LFAGIJAFWFNZBY-UWVGGRQHSA-N 1 2 282.344 -1.564 20 0 CAADLO CNS(=O)(=O)[C@H]1CC[N@@H+]([C@@H]2CCN(C)C2=O)C1 ZINC000155916632 545569924 /nfs/dbraw/zinc/56/99/24/545569924.db2.gz BYVHDJDNNPPJFV-DTWKUNHWSA-N 1 2 261.347 -1.159 20 0 CAADLO CNS(=O)(=O)[C@H]1CC[N@H+]([C@@H]2CCN(C)C2=O)C1 ZINC000155916632 545569930 /nfs/dbraw/zinc/56/99/30/545569930.db2.gz BYVHDJDNNPPJFV-DTWKUNHWSA-N 1 2 261.347 -1.159 20 0 CAADLO CCN1C(=O)[C@@H]2C[N@H+](Cc3nnn(C)n3)CCN2C1=O ZINC000685036392 545570110 /nfs/dbraw/zinc/57/01/10/545570110.db2.gz AANUMAGSVRRUAM-QMMMGPOBSA-N 1 2 279.304 -1.322 20 0 CAADLO CCN1C(=O)[C@@H]2C[N@@H+](Cc3nnn(C)n3)CCN2C1=O ZINC000685036392 545570116 /nfs/dbraw/zinc/57/01/16/545570116.db2.gz AANUMAGSVRRUAM-QMMMGPOBSA-N 1 2 279.304 -1.322 20 0 CAADLO CN1C(=O)CC[C@H]1C(=O)NCCC[N@@H+]1CCNC(=O)C1 ZINC000355094507 545570196 /nfs/dbraw/zinc/57/01/96/545570196.db2.gz MCJXZWHSRCVISJ-JTQLQIEISA-N 1 2 282.344 -1.455 20 0 CAADLO CN1C(=O)CC[C@H]1C(=O)NCCC[N@H+]1CCNC(=O)C1 ZINC000355094507 545570201 /nfs/dbraw/zinc/57/02/01/545570201.db2.gz MCJXZWHSRCVISJ-JTQLQIEISA-N 1 2 282.344 -1.455 20 0 CAADLO CN1C(=O)CC[C@@H]1C(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000355178415 545570341 /nfs/dbraw/zinc/57/03/41/545570341.db2.gz NWGIGRBUYKTKAL-WDEREUQCSA-N 1 2 266.345 -1.277 20 0 CAADLO CN1C(=O)CC[C@@H]1C(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000355178405 545570497 /nfs/dbraw/zinc/57/04/97/545570497.db2.gz NWGIGRBUYKTKAL-GHMZBOCLSA-N 1 2 266.345 -1.277 20 0 CAADLO CCN1C(=O)[C@H]2C[N@H+](Cc3nnn(C)n3)CCN2C1=O ZINC000685036382 545570592 /nfs/dbraw/zinc/57/05/92/545570592.db2.gz AANUMAGSVRRUAM-MRVPVSSYSA-N 1 2 279.304 -1.322 20 0 CAADLO CCN1C(=O)[C@H]2C[N@@H+](Cc3nnn(C)n3)CCN2C1=O ZINC000685036382 545570596 /nfs/dbraw/zinc/57/05/96/545570596.db2.gz AANUMAGSVRRUAM-MRVPVSSYSA-N 1 2 279.304 -1.322 20 0 CAADLO CCS(=O)(=O)CC(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000670408584 545570995 /nfs/dbraw/zinc/57/09/95/545570995.db2.gz RRLPYFKDUGUQKI-LLVKDONJSA-N 1 2 289.401 -1.073 20 0 CAADLO CCS(=O)(=O)CC(=O)NC[C@@H]1C[N@H+]2CCN1CCC2 ZINC000670408584 545570996 /nfs/dbraw/zinc/57/09/96/545570996.db2.gz RRLPYFKDUGUQKI-LLVKDONJSA-N 1 2 289.401 -1.073 20 0 CAADLO CC(=O)N(C)CC(=O)NC[C@@H]1CN2CC[N@@H+]1CCC2 ZINC000670407069 545571422 /nfs/dbraw/zinc/57/14/22/545571422.db2.gz JVQFZYQWIPYIIO-GFCCVEGCSA-N 1 2 268.361 -1.029 20 0 CAADLO CC(=O)N(C)CC(=O)NC[C@@H]1CN2CC[N@H+]1CCC2 ZINC000670407069 545571425 /nfs/dbraw/zinc/57/14/25/545571425.db2.gz JVQFZYQWIPYIIO-GFCCVEGCSA-N 1 2 268.361 -1.029 20 0 CAADLO C[C@H](C(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2)S(C)(=O)=O ZINC000670409586 545571625 /nfs/dbraw/zinc/57/16/25/545571625.db2.gz PXNBPQUAXLBDAI-GHMZBOCLSA-N 1 2 289.401 -1.074 20 0 CAADLO C[C@H](C(=O)NC[C@@H]1C[N@H+]2CCN1CCC2)S(C)(=O)=O ZINC000670409586 545571629 /nfs/dbraw/zinc/57/16/29/545571629.db2.gz PXNBPQUAXLBDAI-GHMZBOCLSA-N 1 2 289.401 -1.074 20 0 CAADLO COCCOCC(=O)N[C@H](CO)C[NH+]1CCOCC1 ZINC000670385815 545571651 /nfs/dbraw/zinc/57/16/51/545571651.db2.gz PMBILCIDHGHBMN-NSHDSACASA-N 1 2 276.333 -1.541 20 0 CAADLO CC(=O)NCC(=O)NC[C@@H]1CN2CC[N@@H+]1CCC2 ZINC000670407693 545571767 /nfs/dbraw/zinc/57/17/67/545571767.db2.gz XTTDEKAEMGJVKV-LLVKDONJSA-N 1 2 254.334 -1.371 20 0 CAADLO CC(=O)NCC(=O)NC[C@@H]1CN2CC[N@H+]1CCC2 ZINC000670407693 545571770 /nfs/dbraw/zinc/57/17/70/545571770.db2.gz XTTDEKAEMGJVKV-LLVKDONJSA-N 1 2 254.334 -1.371 20 0 CAADLO Cn1cnn(CC(=O)N[C@@H]2CCc3c[nH+]cn3C2)c1=O ZINC000672151327 545572196 /nfs/dbraw/zinc/57/21/96/545572196.db2.gz QDQGQEFABKLPNY-SECBINFHSA-N 1 2 276.300 -1.091 20 0 CAADLO CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)NCC[NH+]1CCC1 ZINC000666102899 545573395 /nfs/dbraw/zinc/57/33/95/545573395.db2.gz GAYMJLIAJKDTQP-ZJUUUORDSA-N 1 2 291.373 -1.197 20 0 CAADLO CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)NCC[NH+]1CCC1 ZINC000666102898 545573449 /nfs/dbraw/zinc/57/34/49/545573449.db2.gz GAYMJLIAJKDTQP-VHSXEESVSA-N 1 2 291.373 -1.197 20 0 CAADLO O=C(CN1CC[NH2+]CC1=O)Nc1ccnc(OCCO)c1 ZINC000662933880 545582379 /nfs/dbraw/zinc/58/23/79/545582379.db2.gz JGVIGKKUPNXEEG-UHFFFAOYSA-N 1 2 294.311 -1.177 20 0 CAADLO C[C@H]1C[N@H+](CCNC(=O)[C@H]2CN(C)C(=O)N2)CCO1 ZINC000667816133 545591064 /nfs/dbraw/zinc/59/10/64/545591064.db2.gz LEQZGUSUZZNGTO-VHSXEESVSA-N 1 2 270.333 -1.153 20 0 CAADLO C[C@H]1C[N@@H+](CCNC(=O)[C@H]2CN(C)C(=O)N2)CCO1 ZINC000667816133 545591069 /nfs/dbraw/zinc/59/10/69/545591069.db2.gz LEQZGUSUZZNGTO-VHSXEESVSA-N 1 2 270.333 -1.153 20 0 CAADLO C[C@H]1C[N@H+](CCNC(=O)[C@@H]2CN(C)C(=O)N2)CCO1 ZINC000667816132 545591108 /nfs/dbraw/zinc/59/11/08/545591108.db2.gz LEQZGUSUZZNGTO-UWVGGRQHSA-N 1 2 270.333 -1.153 20 0 CAADLO C[C@H]1C[N@@H+](CCNC(=O)[C@@H]2CN(C)C(=O)N2)CCO1 ZINC000667816132 545591113 /nfs/dbraw/zinc/59/11/13/545591113.db2.gz LEQZGUSUZZNGTO-UWVGGRQHSA-N 1 2 270.333 -1.153 20 0 CAADLO C[C@H]1C[N@H+](CCNC(=O)[C@@H]2CCNC2=O)CCO1 ZINC000667816217 545590553 /nfs/dbraw/zinc/59/05/53/545590553.db2.gz NRJUEFQOHGODQY-VHSXEESVSA-N 1 2 255.318 -1.041 20 0 CAADLO C[C@H]1C[N@@H+](CCNC(=O)[C@@H]2CCNC2=O)CCO1 ZINC000667816217 545590556 /nfs/dbraw/zinc/59/05/56/545590556.db2.gz NRJUEFQOHGODQY-VHSXEESVSA-N 1 2 255.318 -1.041 20 0 CAADLO Cn1nnnc1CCNc1[nH+]cnc2c1OCCN2 ZINC000665710301 545585707 /nfs/dbraw/zinc/58/57/07/545585707.db2.gz VBDFZSKQLCWIGJ-UHFFFAOYSA-N 1 2 262.277 -1.429 20 0 CAADLO Cn1nnnc1CCNc1nc[nH+]c2c1OCCN2 ZINC000665710301 545585712 /nfs/dbraw/zinc/58/57/12/545585712.db2.gz VBDFZSKQLCWIGJ-UHFFFAOYSA-N 1 2 262.277 -1.429 20 0 CAADLO C[C@H](C[NH+]1CCOCC1)NC(=O)C1(n2cnnn2)CC1 ZINC000666428832 545586315 /nfs/dbraw/zinc/58/63/15/545586315.db2.gz ALIMVZXJIJSGFZ-SNVBAGLBSA-N 1 2 280.332 -1.001 20 0 CAADLO C[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC000666451587 545586432 /nfs/dbraw/zinc/58/64/32/545586432.db2.gz LWUFZRNHAYELKO-SFYZADRCSA-N 1 2 265.273 -1.014 20 0 CAADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H]2CC(=O)N2)CC1 ZINC000666268559 545586454 /nfs/dbraw/zinc/58/64/54/545586454.db2.gz KSNVWJBCFPUTCS-SNVBAGLBSA-N 1 2 282.344 -1.455 20 0 CAADLO CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H]2CC(=O)N2)CC1 ZINC000666268559 545586460 /nfs/dbraw/zinc/58/64/60/545586460.db2.gz KSNVWJBCFPUTCS-SNVBAGLBSA-N 1 2 282.344 -1.455 20 0 CAADLO CC(=O)N1CC[NH+](CCNC(=O)[C@@H]2CN(C)C(=O)N2)CC1 ZINC000666399114 545586497 /nfs/dbraw/zinc/58/64/97/545586497.db2.gz AZSGPVOLTIPLPM-NSHDSACASA-N 1 2 297.359 -1.710 20 0 CAADLO CC(=O)N1CC[NH+](CCNC(=O)[C@H]2CN(C)C(=O)N2)CC1 ZINC000666399113 545586799 /nfs/dbraw/zinc/58/67/99/545586799.db2.gz AZSGPVOLTIPLPM-LLVKDONJSA-N 1 2 297.359 -1.710 20 0 CAADLO C[C@@H]1C[N@H+](CCNC(=O)[C@@H]2CCNC2=O)CCO1 ZINC000667816215 545591128 /nfs/dbraw/zinc/59/11/28/545591128.db2.gz NRJUEFQOHGODQY-NXEZZACHSA-N 1 2 255.318 -1.041 20 0 CAADLO C[C@@H]1C[N@@H+](CCNC(=O)[C@@H]2CCNC2=O)CCO1 ZINC000667816215 545591132 /nfs/dbraw/zinc/59/11/32/545591132.db2.gz NRJUEFQOHGODQY-NXEZZACHSA-N 1 2 255.318 -1.041 20 0 CAADLO C[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC000667605721 545589462 /nfs/dbraw/zinc/58/94/62/545589462.db2.gz LWXUBDUZJKCMKQ-YUMQZZPRSA-N 1 2 270.289 -1.969 20 0 CAADLO C[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC000667605721 545589467 /nfs/dbraw/zinc/58/94/67/545589467.db2.gz LWXUBDUZJKCMKQ-YUMQZZPRSA-N 1 2 270.289 -1.969 20 0 CAADLO C[C@@H](C[NH2+]Cc1nnnn1C)NC(=O)c1nnc[nH]1 ZINC001275375014 782171168 /nfs/dbraw/zinc/17/11/68/782171168.db2.gz LKCQFMKGMYTENF-LURJTMIESA-N 1 2 265.281 -1.764 20 0 CAADLO C[C@@H]([NH2+]Cc1nnn(C)n1)[C@H](C)NC(=O)CC(N)=O ZINC001275378305 782170913 /nfs/dbraw/zinc/17/09/13/782170913.db2.gz WUVWYUNPSCXOHP-RQJHMYQMSA-N 1 2 269.309 -1.932 20 0 CAADLO C[C@@H](C[N@H+](C)CC(=O)Nc1ccon1)NC(=O)CC(N)=O ZINC001275529446 782174232 /nfs/dbraw/zinc/17/42/32/782174232.db2.gz UNQFBZMIHLEPMW-QMMMGPOBSA-N 1 2 297.315 -1.075 20 0 CAADLO C[C@@H](C[N@@H+](C)CC(=O)Nc1ccon1)NC(=O)CC(N)=O ZINC001275529446 782174235 /nfs/dbraw/zinc/17/42/35/782174235.db2.gz UNQFBZMIHLEPMW-QMMMGPOBSA-N 1 2 297.315 -1.075 20 0 CAADLO C[C@H](C[N@H+](C)CC(=O)Nc1ccon1)NC(=O)CC(N)=O ZINC001275529444 782174291 /nfs/dbraw/zinc/17/42/91/782174291.db2.gz UNQFBZMIHLEPMW-MRVPVSSYSA-N 1 2 297.315 -1.075 20 0 CAADLO C[C@H](C[N@@H+](C)CC(=O)Nc1ccon1)NC(=O)CC(N)=O ZINC001275529444 782174296 /nfs/dbraw/zinc/17/42/96/782174296.db2.gz UNQFBZMIHLEPMW-MRVPVSSYSA-N 1 2 297.315 -1.075 20 0 CAADLO NC(=O)C1=NO[C@H](CNC(=O)/C=C\C[NH+]2CCOCC2)C1 ZINC001296540623 782175234 /nfs/dbraw/zinc/17/52/34/782175234.db2.gz IDLGYWMDSAXKGE-SYBPUXJVSA-N 1 2 296.327 -1.379 20 0 CAADLO CNC(=O)C[N@H+](C)C[C@H](C)NC(=O)c1cn[nH]n1 ZINC001275598822 782175823 /nfs/dbraw/zinc/17/58/23/782175823.db2.gz BCPNVIOGBVKSIX-ZETCQYMHSA-N 1 2 254.294 -1.399 20 0 CAADLO CNC(=O)C[N@@H+](C)C[C@H](C)NC(=O)c1cn[nH]n1 ZINC001275598822 782175828 /nfs/dbraw/zinc/17/58/28/782175828.db2.gz BCPNVIOGBVKSIX-ZETCQYMHSA-N 1 2 254.294 -1.399 20 0 CAADLO CNC(=O)C[N@H+](C)C[C@H](C)NC(=O)c1cnn[nH]1 ZINC001275598822 782175833 /nfs/dbraw/zinc/17/58/33/782175833.db2.gz BCPNVIOGBVKSIX-ZETCQYMHSA-N 1 2 254.294 -1.399 20 0 CAADLO CNC(=O)C[N@@H+](C)C[C@H](C)NC(=O)c1cnn[nH]1 ZINC001275598822 782175840 /nfs/dbraw/zinc/17/58/40/782175840.db2.gz BCPNVIOGBVKSIX-ZETCQYMHSA-N 1 2 254.294 -1.399 20 0 CAADLO COc1cncc(C[N@H+](C)C[C@H](C)NC(=O)C(N)=O)n1 ZINC001275639729 782176493 /nfs/dbraw/zinc/17/64/93/782176493.db2.gz XTRFCZWSNNVUPV-QMMMGPOBSA-N 1 2 281.316 -1.093 20 0 CAADLO COc1cncc(C[N@@H+](C)C[C@H](C)NC(=O)C(N)=O)n1 ZINC001275639729 782176500 /nfs/dbraw/zinc/17/65/00/782176500.db2.gz XTRFCZWSNNVUPV-QMMMGPOBSA-N 1 2 281.316 -1.093 20 0 CAADLO C[C@H](C[N@H+](C)CC(=O)N1CCC1)NC(=O)C(N)=O ZINC001275636803 782176549 /nfs/dbraw/zinc/17/65/49/782176549.db2.gz GQHLHFQKGWCZKV-MRVPVSSYSA-N 1 2 256.306 -1.860 20 0 CAADLO C[C@H](C[N@@H+](C)CC(=O)N1CCC1)NC(=O)C(N)=O ZINC001275636803 782176553 /nfs/dbraw/zinc/17/65/53/782176553.db2.gz GQHLHFQKGWCZKV-MRVPVSSYSA-N 1 2 256.306 -1.860 20 0 CAADLO C[C@@H](CNC(=O)c1ncn[nH]1)[N@H+](C)[C@@H]1CCC(=O)NC1=O ZINC001275962793 782183884 /nfs/dbraw/zinc/18/38/84/782183884.db2.gz JRVVLSYRROPRCA-JGVFFNPUSA-N 1 2 294.315 -1.340 20 0 CAADLO C[C@@H](CNC(=O)c1ncn[nH]1)[N@@H+](C)[C@@H]1CCC(=O)NC1=O ZINC001275962793 782183888 /nfs/dbraw/zinc/18/38/88/782183888.db2.gz JRVVLSYRROPRCA-JGVFFNPUSA-N 1 2 294.315 -1.340 20 0 CAADLO C[C@@H](CNC(=O)c1nc[nH]n1)[N@H+](C)[C@@H]1CCC(=O)NC1=O ZINC001275962793 782183898 /nfs/dbraw/zinc/18/38/98/782183898.db2.gz JRVVLSYRROPRCA-JGVFFNPUSA-N 1 2 294.315 -1.340 20 0 CAADLO CCS(=O)(=O)CCC[N@H+](C)[C@H](C)CNC(=O)C(N)=O ZINC001275912084 782183103 /nfs/dbraw/zinc/18/31/03/782183103.db2.gz IRLAPTXXAGPYCD-SECBINFHSA-N 1 2 293.389 -1.267 20 0 CAADLO CCS(=O)(=O)CCC[N@@H+](C)[C@H](C)CNC(=O)C(N)=O ZINC001275912084 782183111 /nfs/dbraw/zinc/18/31/11/782183111.db2.gz IRLAPTXXAGPYCD-SECBINFHSA-N 1 2 293.389 -1.267 20 0 CAADLO C[C@H](CNC(=O)Cc1nnc[nH]1)[N@H+](C)[C@H](C)C(N)=O ZINC001275969803 782185453 /nfs/dbraw/zinc/18/54/53/782185453.db2.gz HIKNQAKZQCNQEP-HTQZYQBOSA-N 1 2 268.321 -1.343 20 0 CAADLO C[C@H](CNC(=O)Cc1nnc[nH]1)[N@@H+](C)[C@H](C)C(N)=O ZINC001275969803 782185459 /nfs/dbraw/zinc/18/54/59/782185459.db2.gz HIKNQAKZQCNQEP-HTQZYQBOSA-N 1 2 268.321 -1.343 20 0 CAADLO O=C(/C=C/C[NH+]1CCOCC1)N1C[C@H](O)C[C@H]1CO ZINC000867503861 582108856 /nfs/dbraw/zinc/10/88/56/582108856.db2.gz PSQJGXTXMACNAS-FGXISPTISA-N 1 2 270.329 -1.171 20 0 CAADLO NC(=O)C1(NC(=O)CN2CC[NH2+]CC2=O)CCCC1 ZINC000843439641 582109121 /nfs/dbraw/zinc/10/91/21/582109121.db2.gz WBDGOBUEOIFIRQ-UHFFFAOYSA-N 1 2 268.317 -1.668 20 0 CAADLO O=C(NCC[NH+]1CCOCC1)N1CCOCCN1 ZINC000891448786 582110111 /nfs/dbraw/zinc/11/01/11/582110111.db2.gz DVERQRHQZRBKSD-UHFFFAOYSA-N 1 2 258.322 -1.135 20 0 CAADLO O=C(NC[C@@H]1C[NH+]2CCN1CC2)[C@H]1CCC(=O)O1 ZINC000866861740 582110800 /nfs/dbraw/zinc/11/08/00/582110800.db2.gz VLDYGIZPIBEPJT-NXEZZACHSA-N 1 2 253.302 -1.192 20 0 CAADLO O=C(NC[C@@H]1C[NH+]2CCN1CC2)[C@@H]1CCCNC1=O ZINC000866861923 582110803 /nfs/dbraw/zinc/11/08/03/582110803.db2.gz ZFSDUJSTFWKJDY-GHMZBOCLSA-N 1 2 266.345 -1.371 20 0 CAADLO O=C(NC[C@H]1C[NH+]2CCN1CC2)[C@@H]1CCCNC1=O ZINC000866861926 582110834 /nfs/dbraw/zinc/11/08/34/582110834.db2.gz ZFSDUJSTFWKJDY-WDEREUQCSA-N 1 2 266.345 -1.371 20 0 CAADLO CN1CCN(C(=O)C2CS(=O)(=O)C2)CC[N@H+](C)CC1 ZINC000888982297 582111321 /nfs/dbraw/zinc/11/13/21/582111321.db2.gz MXWPIXDOPCVLMP-UHFFFAOYSA-N 1 2 289.401 -1.263 20 0 CAADLO CN1CCN(C(=O)C2CS(=O)(=O)C2)CC[N@@H+](C)CC1 ZINC000888982297 582111322 /nfs/dbraw/zinc/11/13/22/582111322.db2.gz MXWPIXDOPCVLMP-UHFFFAOYSA-N 1 2 289.401 -1.263 20 0 CAADLO C[C@H]1CN(C)C(=O)C[N@@H+]1Cc1cn(C)c(=O)n(C)c1=O ZINC000783730112 582111897 /nfs/dbraw/zinc/11/18/97/582111897.db2.gz PXAYPRHZFRJEDX-VIFPVBQESA-N 1 2 280.328 -1.254 20 0 CAADLO C[C@H]1CN(C)C(=O)C[N@H+]1Cc1cn(C)c(=O)n(C)c1=O ZINC000783730112 582111898 /nfs/dbraw/zinc/11/18/98/582111898.db2.gz PXAYPRHZFRJEDX-VIFPVBQESA-N 1 2 280.328 -1.254 20 0 CAADLO CNc1cc(N2CCN3C(=O)C(=O)NC[C@@H]3C2)nc[nH+]1 ZINC000892846930 582112204 /nfs/dbraw/zinc/11/22/04/582112204.db2.gz KXCYDIXCMPVPCM-MRVPVSSYSA-N 1 2 276.300 -1.335 20 0 CAADLO CNc1cc(N2CCN3C(=O)C(=O)NC[C@@H]3C2)[nH+]cn1 ZINC000892846930 582112205 /nfs/dbraw/zinc/11/22/05/582112205.db2.gz KXCYDIXCMPVPCM-MRVPVSSYSA-N 1 2 276.300 -1.335 20 0 CAADLO CN(C)c1cc(N2CC[C@](O)(C(N)=O)C2)nc[nH+]1 ZINC000893412595 582112721 /nfs/dbraw/zinc/11/27/21/582112721.db2.gz NXOWJVOXMMFCGY-LLVKDONJSA-N 1 2 251.290 -1.031 20 0 CAADLO CN(C)c1cc(N2CC[C@](O)(C(N)=O)C2)[nH+]cn1 ZINC000893412595 582112722 /nfs/dbraw/zinc/11/27/22/582112722.db2.gz NXOWJVOXMMFCGY-LLVKDONJSA-N 1 2 251.290 -1.031 20 0 CAADLO Cn1c[nH+]c(CNC(=O)NCCN2CCNC(=O)C2)c1 ZINC000894106616 582113227 /nfs/dbraw/zinc/11/32/27/582113227.db2.gz NKYDTNWNXSBVCO-UHFFFAOYSA-N 1 2 280.332 -1.349 20 0 CAADLO CN(C)c1cc(N2CCN(CC(N)=O)C(=O)C2)nc[nH+]1 ZINC000894161464 582113354 /nfs/dbraw/zinc/11/33/54/582113354.db2.gz ITIFLBWCFNOLGB-UHFFFAOYSA-N 1 2 278.316 -1.324 20 0 CAADLO CN(C)c1cc(N2CCN(CC(N)=O)C(=O)C2)[nH+]cn1 ZINC000894161464 582113355 /nfs/dbraw/zinc/11/33/55/582113355.db2.gz ITIFLBWCFNOLGB-UHFFFAOYSA-N 1 2 278.316 -1.324 20 0 CAADLO C[C@@H]1C[N@H+](CCNC(=O)NCCC(N)=O)CCO1 ZINC000726252981 582113400 /nfs/dbraw/zinc/11/34/00/582113400.db2.gz MDHSJSJIYUORAP-SECBINFHSA-N 1 2 258.322 -1.118 20 0 CAADLO C[C@@H]1C[N@@H+](CCNC(=O)NCCC(N)=O)CCO1 ZINC000726252981 582113401 /nfs/dbraw/zinc/11/34/01/582113401.db2.gz MDHSJSJIYUORAP-SECBINFHSA-N 1 2 258.322 -1.118 20 0 CAADLO C[C@@H]1C[N@H+](CCNC(=O)N2CCNC(=O)C2)CCO1 ZINC000726252666 582113412 /nfs/dbraw/zinc/11/34/12/582113412.db2.gz IYHOLDSYDWJHQK-SNVBAGLBSA-N 1 2 270.333 -1.152 20 0 CAADLO C[C@@H]1C[N@@H+](CCNC(=O)N2CCNC(=O)C2)CCO1 ZINC000726252666 582113413 /nfs/dbraw/zinc/11/34/13/582113413.db2.gz IYHOLDSYDWJHQK-SNVBAGLBSA-N 1 2 270.333 -1.152 20 0 CAADLO C[C@H]1C[N@H+](CCNC(=O)NCCS(N)(=O)=O)CCO1 ZINC000726255278 582113465 /nfs/dbraw/zinc/11/34/65/582113465.db2.gz SVBIABKFAZDNPV-VIFPVBQESA-N 1 2 294.377 -1.705 20 0 CAADLO C[C@H]1C[N@@H+](CCNC(=O)NCCS(N)(=O)=O)CCO1 ZINC000726255278 582113466 /nfs/dbraw/zinc/11/34/66/582113466.db2.gz SVBIABKFAZDNPV-VIFPVBQESA-N 1 2 294.377 -1.705 20 0 CAADLO CNC(=O)CNC(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000726257433 582113470 /nfs/dbraw/zinc/11/34/70/582113470.db2.gz GRIZTBQROSPDEF-SECBINFHSA-N 1 2 258.322 -1.248 20 0 CAADLO COC(=O)CNC(=O)[C@@H](C)[N@@H+]1CCCNC(=O)C1 ZINC000726792852 582113558 /nfs/dbraw/zinc/11/35/58/582113558.db2.gz ZUQDXRJCTOVBDE-MRVPVSSYSA-N 1 2 257.290 -1.514 20 0 CAADLO COC(=O)CNC(=O)[C@@H](C)[N@H+]1CCCNC(=O)C1 ZINC000726792852 582113559 /nfs/dbraw/zinc/11/35/59/582113559.db2.gz ZUQDXRJCTOVBDE-MRVPVSSYSA-N 1 2 257.290 -1.514 20 0 CAADLO COC(=O)CNC(=O)[C@H](C)[N@@H+]1CCCNC(=O)C1 ZINC000726792853 582113575 /nfs/dbraw/zinc/11/35/75/582113575.db2.gz ZUQDXRJCTOVBDE-QMMMGPOBSA-N 1 2 257.290 -1.514 20 0 CAADLO COC(=O)CNC(=O)[C@H](C)[N@H+]1CCCNC(=O)C1 ZINC000726792853 582113576 /nfs/dbraw/zinc/11/35/76/582113576.db2.gz ZUQDXRJCTOVBDE-QMMMGPOBSA-N 1 2 257.290 -1.514 20 0 CAADLO CC(=O)N1CCN(C(=O)C[N@@H+]2CCCNC(=O)C2)CC1 ZINC000726792027 582113592 /nfs/dbraw/zinc/11/35/92/582113592.db2.gz XWERFZUYXFMNEL-UHFFFAOYSA-N 1 2 282.344 -1.501 20 0 CAADLO CC(=O)N1CCN(C(=O)C[N@H+]2CCCNC(=O)C2)CC1 ZINC000726792027 582113593 /nfs/dbraw/zinc/11/35/93/582113593.db2.gz XWERFZUYXFMNEL-UHFFFAOYSA-N 1 2 282.344 -1.501 20 0 CAADLO O=C(CCn1cc[nH]c(=O)c1=O)NCC[NH+]1CCOCC1 ZINC000726865289 582113751 /nfs/dbraw/zinc/11/37/51/582113751.db2.gz WSBTWFFYOMEQOC-UHFFFAOYSA-N 1 2 296.327 -1.625 20 0 CAADLO CC[N@@H+]1CCOC[C@@H]1C(=O)NCCN1CCNC1=O ZINC000894570555 582114132 /nfs/dbraw/zinc/11/41/32/582114132.db2.gz ZQUPLRHEGXEFFE-SNVBAGLBSA-N 1 2 270.333 -1.152 20 0 CAADLO CC[N@H+]1CCOC[C@@H]1C(=O)NCCN1CCNC1=O ZINC000894570555 582114133 /nfs/dbraw/zinc/11/41/33/582114133.db2.gz ZQUPLRHEGXEFFE-SNVBAGLBSA-N 1 2 270.333 -1.152 20 0 CAADLO COC(=O)[C@@](C)(O)C[N@@H+]1CCC(=O)NCC12COC2 ZINC000880400903 582114490 /nfs/dbraw/zinc/11/44/90/582114490.db2.gz MNJFHBCPVJJNAV-NSHDSACASA-N 1 2 272.301 -1.499 20 0 CAADLO COC(=O)[C@@](C)(O)C[N@H+]1CCC(=O)NCC12COC2 ZINC000880400903 582114491 /nfs/dbraw/zinc/11/44/91/582114491.db2.gz MNJFHBCPVJJNAV-NSHDSACASA-N 1 2 272.301 -1.499 20 0 CAADLO C[NH+]1CCN(NC(=S)NCCNS(C)(=O)=O)CC1 ZINC000727065463 582114939 /nfs/dbraw/zinc/11/49/39/582114939.db2.gz RZNAEHHDKIBJGZ-UHFFFAOYSA-N 1 2 295.434 -1.838 20 0 CAADLO CON(C)C(=O)CC[NH+]1CCN(S(C)(=O)=O)CC1 ZINC000788014109 582115200 /nfs/dbraw/zinc/11/52/00/582115200.db2.gz XUZSMMCGGOFZMW-UHFFFAOYSA-N 1 2 279.362 -1.027 20 0 CAADLO COC(=O)[C@H]1[C@@H]2C[N@@H+](Cc3nc(=O)n(C)[nH]3)C[C@@H]21 ZINC000794991538 582115241 /nfs/dbraw/zinc/11/52/41/582115241.db2.gz LVINTWRNUUTZBW-QMSLJYSESA-N 1 2 252.274 -1.041 20 0 CAADLO COC(=O)[C@H]1[C@@H]2C[N@H+](Cc3nc(=O)n(C)[nH]3)C[C@@H]21 ZINC000794991538 582115242 /nfs/dbraw/zinc/11/52/42/582115242.db2.gz LVINTWRNUUTZBW-QMSLJYSESA-N 1 2 252.274 -1.041 20 0 CAADLO C[N@@H+]1CCOC[C@]1(CO)CN=c1ncnc2[nH][nH]cc1-2 ZINC000895612204 582115552 /nfs/dbraw/zinc/11/55/52/582115552.db2.gz MVDIONQEJJHKOF-GFCCVEGCSA-N 1 2 278.316 -1.169 20 0 CAADLO C[N@H+]1CCOC[C@]1(CO)CN=c1ncnc2[nH][nH]cc1-2 ZINC000895612204 582115553 /nfs/dbraw/zinc/11/55/53/582115553.db2.gz MVDIONQEJJHKOF-GFCCVEGCSA-N 1 2 278.316 -1.169 20 0 CAADLO CO[C@H]1C[N@H+](Cc2cn(C)c(=O)n(C)c2=O)CCO1 ZINC000895968969 582115708 /nfs/dbraw/zinc/11/57/08/582115708.db2.gz HTUSJPUKLGIWRM-SNVBAGLBSA-N 1 2 269.301 -1.111 20 0 CAADLO CO[C@H]1C[N@@H+](Cc2cn(C)c(=O)n(C)c2=O)CCO1 ZINC000895968969 582115710 /nfs/dbraw/zinc/11/57/10/582115710.db2.gz HTUSJPUKLGIWRM-SNVBAGLBSA-N 1 2 269.301 -1.111 20 0 CAADLO CNc1cc(N2CCN3[C@@H](CNS3(=O)=O)C2)nc[nH+]1 ZINC000896594696 582116183 /nfs/dbraw/zinc/11/61/83/582116183.db2.gz KRUAQIIMIBOKFN-QMMMGPOBSA-N 1 2 284.345 -1.143 20 0 CAADLO CNc1cc(N2CCN3[C@@H](CNS3(=O)=O)C2)[nH+]cn1 ZINC000896594696 582116184 /nfs/dbraw/zinc/11/61/84/582116184.db2.gz KRUAQIIMIBOKFN-QMMMGPOBSA-N 1 2 284.345 -1.143 20 0 CAADLO O=S1(=O)NC[C@H]2CN(c3cc(CO)cc[nH+]3)CCN21 ZINC000896597913 582116226 /nfs/dbraw/zinc/11/62/26/582116226.db2.gz XMKIQVDIQWLNKX-JTQLQIEISA-N 1 2 284.341 -1.088 20 0 CAADLO CN(C)c1cc(N2CCN3[C@H](CNS3(=O)=O)C2)nc[nH+]1 ZINC000896594555 582116237 /nfs/dbraw/zinc/11/62/37/582116237.db2.gz IUPJCCIENBKFAS-SECBINFHSA-N 1 2 298.372 -1.119 20 0 CAADLO CN(C)c1cc(N2CCN3[C@H](CNS3(=O)=O)C2)[nH+]cn1 ZINC000896594555 582116238 /nfs/dbraw/zinc/11/62/38/582116238.db2.gz IUPJCCIENBKFAS-SECBINFHSA-N 1 2 298.372 -1.119 20 0 CAADLO COCC[N@H+](C)CCNC(=O)NCCS(C)(=O)=O ZINC000727942262 582116408 /nfs/dbraw/zinc/11/64/08/582116408.db2.gz RRNNHDCHMCRDJD-UHFFFAOYSA-N 1 2 281.378 -1.092 20 0 CAADLO COCC[N@@H+](C)CCNC(=O)NCCS(C)(=O)=O ZINC000727942262 582116409 /nfs/dbraw/zinc/11/64/09/582116409.db2.gz RRNNHDCHMCRDJD-UHFFFAOYSA-N 1 2 281.378 -1.092 20 0 CAADLO CON(C)C(=O)CC[NH+]1CCN(S(N)(=O)=O)CC1 ZINC000788019650 582116653 /nfs/dbraw/zinc/11/66/53/582116653.db2.gz MGHIJQMWYWLOQJ-UHFFFAOYSA-N 1 2 280.350 -1.783 20 0 CAADLO Cn1c(C(=O)NCCC[N@@H+]2CCNC(=O)C2)c[nH]c1=O ZINC000866924890 582116846 /nfs/dbraw/zinc/11/68/46/582116846.db2.gz FDLWRPXOACRAKY-UHFFFAOYSA-N 1 2 281.316 -1.323 20 0 CAADLO Cn1c(C(=O)NCCC[N@H+]2CCNC(=O)C2)c[nH]c1=O ZINC000866924890 582116847 /nfs/dbraw/zinc/11/68/47/582116847.db2.gz FDLWRPXOACRAKY-UHFFFAOYSA-N 1 2 281.316 -1.323 20 0 CAADLO O=C(NCCC[N@@H+]1CCNC(=O)C1)[C@@H]1CCCNC1=O ZINC000866926323 582116899 /nfs/dbraw/zinc/11/68/99/582116899.db2.gz XFQWYEPNKQKRGL-SNVBAGLBSA-N 1 2 282.344 -1.549 20 0 CAADLO O=C(NCCC[N@H+]1CCNC(=O)C1)[C@@H]1CCCNC1=O ZINC000866926323 582116900 /nfs/dbraw/zinc/11/69/00/582116900.db2.gz XFQWYEPNKQKRGL-SNVBAGLBSA-N 1 2 282.344 -1.549 20 0 CAADLO C[N@@H+]1CCOC[C@H]1CNC(=O)NCCNS(C)(=O)=O ZINC000623407044 582117193 /nfs/dbraw/zinc/11/71/93/582117193.db2.gz RGZRPTAWXGPCNY-SECBINFHSA-N 1 2 294.377 -1.835 20 0 CAADLO C[N@H+]1CCOC[C@H]1CNC(=O)NCCNS(C)(=O)=O ZINC000623407044 582117195 /nfs/dbraw/zinc/11/71/95/582117195.db2.gz RGZRPTAWXGPCNY-SECBINFHSA-N 1 2 294.377 -1.835 20 0 CAADLO C[N@@H+]1CCN(C(=O)[C@@]2(C)CCNC2=O)C[C@H]1CO ZINC000864077513 582117955 /nfs/dbraw/zinc/11/79/55/582117955.db2.gz GFUSUUCKFMIZCN-CABZTGNLSA-N 1 2 255.318 -1.353 20 0 CAADLO C[N@H+]1CCN(C(=O)[C@@]2(C)CCNC2=O)C[C@H]1CO ZINC000864077513 582117956 /nfs/dbraw/zinc/11/79/56/582117956.db2.gz GFUSUUCKFMIZCN-CABZTGNLSA-N 1 2 255.318 -1.353 20 0 CAADLO C[N@@H+]1CCN(C(=O)[C@]2(C)CCNC2=O)C[C@H]1CO ZINC000864077514 582117965 /nfs/dbraw/zinc/11/79/65/582117965.db2.gz GFUSUUCKFMIZCN-JOYOIKCWSA-N 1 2 255.318 -1.353 20 0 CAADLO C[N@H+]1CCN(C(=O)[C@]2(C)CCNC2=O)C[C@H]1CO ZINC000864077514 582117966 /nfs/dbraw/zinc/11/79/66/582117966.db2.gz GFUSUUCKFMIZCN-JOYOIKCWSA-N 1 2 255.318 -1.353 20 0 CAADLO C[N@@H+]1CCN(C(=O)[C@]2(C)CCNC2=O)C[C@@H]1CO ZINC000864077512 582118008 /nfs/dbraw/zinc/11/80/08/582118008.db2.gz GFUSUUCKFMIZCN-BXKDBHETSA-N 1 2 255.318 -1.353 20 0 CAADLO C[N@H+]1CCN(C(=O)[C@]2(C)CCNC2=O)C[C@@H]1CO ZINC000864077512 582118009 /nfs/dbraw/zinc/11/80/09/582118009.db2.gz GFUSUUCKFMIZCN-BXKDBHETSA-N 1 2 255.318 -1.353 20 0 CAADLO CCONC(=O)CNC(=O)C1C[NH+]([C@H]2CCOC2)C1 ZINC000898279531 582119414 /nfs/dbraw/zinc/11/94/14/582119414.db2.gz FKPWJWFRONABSO-JTQLQIEISA-N 1 2 271.317 -1.109 20 0 CAADLO CCN(CC(=O)NC)S(=O)(=O)C[C@H]1C[N@H+](C)CCO1 ZINC000866487986 582119564 /nfs/dbraw/zinc/11/95/64/582119564.db2.gz PLVALTYGNXYOOJ-SNVBAGLBSA-N 1 2 293.389 -1.285 20 0 CAADLO CCN(CC(=O)NC)S(=O)(=O)C[C@H]1C[N@@H+](C)CCO1 ZINC000866487986 582119565 /nfs/dbraw/zinc/11/95/65/582119565.db2.gz PLVALTYGNXYOOJ-SNVBAGLBSA-N 1 2 293.389 -1.285 20 0 CAADLO C[C@@]1(C(=O)N[C@H](CO)C[NH+]2CCOCC2)CCNC(=O)C1 ZINC000898906350 582120188 /nfs/dbraw/zinc/12/01/88/582120188.db2.gz DNMAHLPXKZJHAS-SMDDNHRTSA-N 1 2 299.371 -1.288 20 0 CAADLO C[C@@H]1C(=O)N(NC(=O)[C@H]2C[N@H+](C)CCO2)C(=O)N1C ZINC000899031390 582120201 /nfs/dbraw/zinc/12/02/01/582120201.db2.gz MPRPKDSQJHSGLB-HTQZYQBOSA-N 1 2 270.289 -1.369 20 0 CAADLO C[C@@H]1C(=O)N(NC(=O)[C@H]2C[N@@H+](C)CCO2)C(=O)N1C ZINC000899031390 582120203 /nfs/dbraw/zinc/12/02/03/582120203.db2.gz MPRPKDSQJHSGLB-HTQZYQBOSA-N 1 2 270.289 -1.369 20 0 CAADLO C[C@]1(C(=O)N[C@H](CO)C[NH+]2CCOCC2)CCNC(=O)C1 ZINC000898906341 582120223 /nfs/dbraw/zinc/12/02/23/582120223.db2.gz DNMAHLPXKZJHAS-FZMZJTMJSA-N 1 2 299.371 -1.288 20 0 CAADLO C[C@@H]1C(=O)N(NC(=O)[C@@H]2C[N@H+](C)CCO2)C(=O)N1C ZINC000899031392 582120277 /nfs/dbraw/zinc/12/02/77/582120277.db2.gz MPRPKDSQJHSGLB-SFYZADRCSA-N 1 2 270.289 -1.369 20 0 CAADLO C[C@@H]1C(=O)N(NC(=O)[C@@H]2C[N@@H+](C)CCO2)C(=O)N1C ZINC000899031392 582120278 /nfs/dbraw/zinc/12/02/78/582120278.db2.gz MPRPKDSQJHSGLB-SFYZADRCSA-N 1 2 270.289 -1.369 20 0 CAADLO Cn1cnc(C(=O)NCC[N@@H+]2CCC3(C2)OCCO3)n1 ZINC000899061025 582120299 /nfs/dbraw/zinc/12/02/99/582120299.db2.gz CUVPSJJMGMOXHB-UHFFFAOYSA-N 1 2 281.316 -1.006 20 0 CAADLO Cn1cnc(C(=O)NCC[N@H+]2CCC3(C2)OCCO3)n1 ZINC000899061025 582120300 /nfs/dbraw/zinc/12/03/00/582120300.db2.gz CUVPSJJMGMOXHB-UHFFFAOYSA-N 1 2 281.316 -1.006 20 0 CAADLO O=C(NCC[N@@H+]1CCC2(C1)OCCO2)c1nnc[nH]1 ZINC000899059295 582120344 /nfs/dbraw/zinc/12/03/44/582120344.db2.gz GPQCLBHOLHMATI-UHFFFAOYSA-N 1 2 267.289 -1.017 20 0 CAADLO O=C(NCC[N@H+]1CCC2(C1)OCCO2)c1nnc[nH]1 ZINC000899059295 582120345 /nfs/dbraw/zinc/12/03/45/582120345.db2.gz GPQCLBHOLHMATI-UHFFFAOYSA-N 1 2 267.289 -1.017 20 0 CAADLO Cn1ncc(C(=O)NCC[N@@H+]2CCC3(C2)OCCO3)n1 ZINC000899061165 582120437 /nfs/dbraw/zinc/12/04/37/582120437.db2.gz GKQXAELFEBHXLX-UHFFFAOYSA-N 1 2 281.316 -1.006 20 0 CAADLO Cn1ncc(C(=O)NCC[N@H+]2CCC3(C2)OCCO3)n1 ZINC000899061165 582120439 /nfs/dbraw/zinc/12/04/39/582120439.db2.gz GKQXAELFEBHXLX-UHFFFAOYSA-N 1 2 281.316 -1.006 20 0 CAADLO C[N@H+](CCO)CCNC(=O)[C@H]1CCCCS1(=O)=O ZINC000899737762 582122315 /nfs/dbraw/zinc/12/23/15/582122315.db2.gz PPCBLVMBGNRVFZ-SNVBAGLBSA-N 1 2 278.374 -1.006 20 0 CAADLO C[N@@H+](CCO)CCNC(=O)[C@H]1CCCCS1(=O)=O ZINC000899737762 582122317 /nfs/dbraw/zinc/12/23/17/582122317.db2.gz PPCBLVMBGNRVFZ-SNVBAGLBSA-N 1 2 278.374 -1.006 20 0 CAADLO CCCS(=O)(=O)CC(=O)NCC[N@H+](C)CCO ZINC000899732802 582122540 /nfs/dbraw/zinc/12/25/40/582122540.db2.gz NMOGZYUDGNJYSB-UHFFFAOYSA-N 1 2 266.363 -1.149 20 0 CAADLO CCCS(=O)(=O)CC(=O)NCC[N@@H+](C)CCO ZINC000899732802 582122541 /nfs/dbraw/zinc/12/25/41/582122541.db2.gz NMOGZYUDGNJYSB-UHFFFAOYSA-N 1 2 266.363 -1.149 20 0 CAADLO CC(C)NC(=O)NCC[NH+]1CCN(C(=O)CO)CC1 ZINC000645841505 582122752 /nfs/dbraw/zinc/12/27/52/582122752.db2.gz SGDUBFMAEPWSIH-UHFFFAOYSA-N 1 2 272.349 -1.170 20 0 CAADLO CCOC(=O)C[C@H](O)C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000600420805 582122787 /nfs/dbraw/zinc/12/27/87/582122787.db2.gz LADGPNOBXMEQCJ-UWVGGRQHSA-N 1 2 274.317 -1.253 20 0 CAADLO CCOC(=O)C[C@H](O)C(=O)NC[C@H]1COCC[N@H+]1C ZINC000600420805 582122788 /nfs/dbraw/zinc/12/27/88/582122788.db2.gz LADGPNOBXMEQCJ-UWVGGRQHSA-N 1 2 274.317 -1.253 20 0 CAADLO CC(C)COC[C@H](O)C[NH+]1CC2(C1)NC(=O)NC2=O ZINC000899912550 582122895 /nfs/dbraw/zinc/12/28/95/582122895.db2.gz KNGJBBRMJAJUNJ-SECBINFHSA-N 1 2 271.317 -1.086 20 0 CAADLO O=C(CN1CCNC(=O)C1)NCC[NH+]1CCOCC1 ZINC000899928276 582122916 /nfs/dbraw/zinc/12/29/16/582122916.db2.gz GSNNNGMJKIHXMX-UHFFFAOYSA-N 1 2 270.333 -2.133 20 0 CAADLO CN1C[C@@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)C(=O)N1 ZINC000682522116 582123671 /nfs/dbraw/zinc/12/36/71/582123671.db2.gz JFDIAACHAQHVLP-DTWKUNHWSA-N 1 2 263.301 -1.093 20 0 CAADLO C[C@@H](c1nnnn1C)N1CC[NH+](CC(=O)N(C)C)CC1 ZINC000682516381 582123696 /nfs/dbraw/zinc/12/36/96/582123696.db2.gz DBCMWWWYJPPLBX-JTQLQIEISA-N 1 2 281.364 -1.023 20 0 CAADLO C[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H](O)CS(C)(=O)=O ZINC000832724361 582124029 /nfs/dbraw/zinc/12/40/29/582124029.db2.gz YVSVIAANSSHEBI-ZJUUUORDSA-N 1 2 278.374 -1.008 20 0 CAADLO C[N@H+]1CCCC[C@H]1C(=O)NC[C@@H](O)CS(C)(=O)=O ZINC000832724361 582124031 /nfs/dbraw/zinc/12/40/31/582124031.db2.gz YVSVIAANSSHEBI-ZJUUUORDSA-N 1 2 278.374 -1.008 20 0 CAADLO O=C(CNC(=O)c1cnsn1)NCC[NH+]1CCOCC1 ZINC000732156990 582124924 /nfs/dbraw/zinc/12/49/24/582124924.db2.gz REGZUIXXZPRANG-UHFFFAOYSA-N 1 2 299.356 -1.284 20 0 CAADLO COC(=O)CNC(=O)CC[N@H+](C)CCS(C)(=O)=O ZINC000732200103 582125112 /nfs/dbraw/zinc/12/51/12/582125112.db2.gz WLGXGXUDSNEZAQ-UHFFFAOYSA-N 1 2 280.346 -1.358 20 0 CAADLO COC(=O)CNC(=O)CC[N@@H+](C)CCS(C)(=O)=O ZINC000732200103 582125113 /nfs/dbraw/zinc/12/51/13/582125113.db2.gz WLGXGXUDSNEZAQ-UHFFFAOYSA-N 1 2 280.346 -1.358 20 0 CAADLO COC(=O)CN(C)C(=O)CC[N@H+](C)CCS(C)(=O)=O ZINC000732199073 582125141 /nfs/dbraw/zinc/12/51/41/582125141.db2.gz FIKNMQJEADSDPF-UHFFFAOYSA-N 1 2 294.373 -1.016 20 0 CAADLO COC(=O)CN(C)C(=O)CC[N@@H+](C)CCS(C)(=O)=O ZINC000732199073 582125143 /nfs/dbraw/zinc/12/51/43/582125143.db2.gz FIKNMQJEADSDPF-UHFFFAOYSA-N 1 2 294.373 -1.016 20 0 CAADLO O=C(CN1CC[NH2+]CC1=O)NCCn1cnnc1C1CC1 ZINC000649337330 582126146 /nfs/dbraw/zinc/12/61/46/582126146.db2.gz AFGPCBMCICJVKJ-UHFFFAOYSA-N 1 2 292.343 -1.297 20 0 CAADLO O=C(C[N@@H+]1CCC2(C1)OCCO2)N1CCNC1=O ZINC000741778691 582126829 /nfs/dbraw/zinc/12/68/29/582126829.db2.gz BYDJLQMQNAVEHH-UHFFFAOYSA-N 1 2 255.274 -1.013 20 0 CAADLO O=C(C[N@H+]1CCC2(C1)OCCO2)N1CCNC1=O ZINC000741778691 582126831 /nfs/dbraw/zinc/12/68/31/582126831.db2.gz BYDJLQMQNAVEHH-UHFFFAOYSA-N 1 2 255.274 -1.013 20 0 CAADLO O=C(CNC(=O)C1=COCC1)NCC[NH+]1CCOCC1 ZINC000734128128 582126875 /nfs/dbraw/zinc/12/68/75/582126875.db2.gz NTSDQBNPDIGCMA-UHFFFAOYSA-N 1 2 283.328 -1.145 20 0 CAADLO Cn1cc(C(=O)NCc2[nH]cc[nH+]2)c(=O)n(C)c1=O ZINC000735054789 582128212 /nfs/dbraw/zinc/12/82/12/582128212.db2.gz IDIOBLKOIWCPAT-UHFFFAOYSA-N 1 2 263.257 -1.263 20 0 CAADLO O=S(=O)(CCn1cccn1)NC[C@H]1C[NH+]2CCN1CC2 ZINC000866994140 582139709 /nfs/dbraw/zinc/13/97/09/582139709.db2.gz GKJFWANHMRUPOT-LBPRGKRZSA-N 1 2 299.400 -1.198 20 0 CAADLO C[C@H]1CN(C)C(=O)CN1C(=O)C(=O)N1CC[NH+](C)CC1 ZINC000839334073 582140016 /nfs/dbraw/zinc/14/00/16/582140016.db2.gz UIFZGPPYYSBVDG-JTQLQIEISA-N 1 2 282.344 -1.551 20 0 CAADLO CNS(=O)(=O)[C@H]1CCC[N@H+](CCS(N)(=O)=O)C1 ZINC000740878316 582140172 /nfs/dbraw/zinc/14/01/72/582140172.db2.gz YOJFVRNWFLCSBJ-QMMMGPOBSA-N 1 2 285.391 -1.712 20 0 CAADLO CNS(=O)(=O)[C@H]1CCC[N@@H+](CCS(N)(=O)=O)C1 ZINC000740878316 582140173 /nfs/dbraw/zinc/14/01/73/582140173.db2.gz YOJFVRNWFLCSBJ-QMMMGPOBSA-N 1 2 285.391 -1.712 20 0 CAADLO CCOC(=O)[C@@H]1C[N@H+](CCC(=O)NC(N)=O)CCO1 ZINC000741249338 582140283 /nfs/dbraw/zinc/14/02/83/582140283.db2.gz WOMUVMZGBRDQQX-QMMMGPOBSA-N 1 2 273.289 -1.165 20 0 CAADLO CCOC(=O)[C@@H]1C[N@@H+](CCC(=O)NC(N)=O)CCO1 ZINC000741249338 582140285 /nfs/dbraw/zinc/14/02/85/582140285.db2.gz WOMUVMZGBRDQQX-QMMMGPOBSA-N 1 2 273.289 -1.165 20 0 CAADLO C[NH+]1CCN(C(=O)CCNC(=O)c2nnc[nH]2)CC1 ZINC000746178515 582141463 /nfs/dbraw/zinc/14/14/63/582141463.db2.gz INDNCJOHEHWMHS-UHFFFAOYSA-N 1 2 266.305 -1.301 20 0 CAADLO C[NH+]1CCN(C(=O)CCNC(=O)c2ncn[nH]2)CC1 ZINC000746178515 582141464 /nfs/dbraw/zinc/14/14/64/582141464.db2.gz INDNCJOHEHWMHS-UHFFFAOYSA-N 1 2 266.305 -1.301 20 0 CAADLO C[NH+]1CCN(C(=O)CCNC(=O)c2nc[nH]n2)CC1 ZINC000746178515 582141466 /nfs/dbraw/zinc/14/14/66/582141466.db2.gz INDNCJOHEHWMHS-UHFFFAOYSA-N 1 2 266.305 -1.301 20 0 CAADLO C[N@@H+]1CCO[C@H](C(=O)N2CCO[C@@H](c3nn[nH]n3)C2)C1 ZINC000746236644 582141633 /nfs/dbraw/zinc/14/16/33/582141633.db2.gz KYEOBYJGKWHPBK-BDAKNGLRSA-N 1 2 282.304 -1.570 20 0 CAADLO C[N@H+]1CCO[C@H](C(=O)N2CCO[C@@H](c3nn[nH]n3)C2)C1 ZINC000746236644 582141635 /nfs/dbraw/zinc/14/16/35/582141635.db2.gz KYEOBYJGKWHPBK-BDAKNGLRSA-N 1 2 282.304 -1.570 20 0 CAADLO Cn1cc(N2CC[NH+](CCS(N)(=O)=O)CC2)cn1 ZINC000746666893 582141795 /nfs/dbraw/zinc/14/17/95/582141795.db2.gz COOUPZPJGRDNSS-UHFFFAOYSA-N 1 2 273.362 -1.169 20 0 CAADLO CN1C(=O)C(=O)N(CC(=O)OCC[NH+]2CCOCC2)C1=O ZINC000747700157 582142023 /nfs/dbraw/zinc/14/20/23/582142023.db2.gz JBNPVAYJJXESBP-UHFFFAOYSA-N 1 2 299.283 -1.718 20 0 CAADLO CNS(=O)(=O)C[C@H]1CCC[N@@H+]1CCS(N)(=O)=O ZINC000749853373 582142789 /nfs/dbraw/zinc/14/27/89/582142789.db2.gz YLVBXJUVOBLWAN-MRVPVSSYSA-N 1 2 285.391 -1.712 20 0 CAADLO CC[N@@H+]1CCO[C@@H](C(=O)O[C@@H](C)C(=O)NC(N)=O)C1 ZINC000748458719 582142431 /nfs/dbraw/zinc/14/24/31/582142431.db2.gz OAFOLPOBKCCCMD-JGVFFNPUSA-N 1 2 273.289 -1.166 20 0 CAADLO CC[N@H+]1CCO[C@@H](C(=O)O[C@@H](C)C(=O)NC(N)=O)C1 ZINC000748458719 582142434 /nfs/dbraw/zinc/14/24/34/582142434.db2.gz OAFOLPOBKCCCMD-JGVFFNPUSA-N 1 2 273.289 -1.166 20 0 CAADLO CC[N@@H+]1CCO[C@H](C(=O)OCC(=O)NC(=O)NC)C1 ZINC000748455345 582142527 /nfs/dbraw/zinc/14/25/27/582142527.db2.gz GVJZUJDLENJSOA-QMMMGPOBSA-N 1 2 273.289 -1.294 20 0 CAADLO CC[N@H+]1CCO[C@H](C(=O)OCC(=O)NC(=O)NC)C1 ZINC000748455345 582142528 /nfs/dbraw/zinc/14/25/28/582142528.db2.gz GVJZUJDLENJSOA-QMMMGPOBSA-N 1 2 273.289 -1.294 20 0 CAADLO CC[N@@H+]1CCO[C@@H](C(=O)O[C@H](C)C(=O)NC(N)=O)C1 ZINC000748458718 582142551 /nfs/dbraw/zinc/14/25/51/582142551.db2.gz OAFOLPOBKCCCMD-HTQZYQBOSA-N 1 2 273.289 -1.166 20 0 CAADLO CC[N@H+]1CCO[C@@H](C(=O)O[C@H](C)C(=O)NC(N)=O)C1 ZINC000748458718 582142552 /nfs/dbraw/zinc/14/25/52/582142552.db2.gz OAFOLPOBKCCCMD-HTQZYQBOSA-N 1 2 273.289 -1.166 20 0 CAADLO CS(=O)(=O)CC[N@H+](CCO)CCN1CCOCC1 ZINC000749406979 582142682 /nfs/dbraw/zinc/14/26/82/582142682.db2.gz VFUSAVQNZRXHLD-UHFFFAOYSA-N 1 2 280.390 -1.343 20 0 CAADLO CS(=O)(=O)CC[N@@H+](CCO)CCN1CCOCC1 ZINC000749406979 582142683 /nfs/dbraw/zinc/14/26/83/582142683.db2.gz VFUSAVQNZRXHLD-UHFFFAOYSA-N 1 2 280.390 -1.343 20 0 CAADLO CCOC(=O)C1=C(C[N@H+]2C[C@@H](O)[C@@H](O)C2)NC(=O)N[C@H]1C ZINC000750838240 582143124 /nfs/dbraw/zinc/14/31/24/582143124.db2.gz PSAYLAFOCCEYAL-UJNFCWOMSA-N 1 2 299.327 -1.458 20 0 CAADLO CCOC(=O)C1=C(C[N@@H+]2C[C@@H](O)[C@@H](O)C2)NC(=O)N[C@H]1C ZINC000750838240 582143126 /nfs/dbraw/zinc/14/31/26/582143126.db2.gz PSAYLAFOCCEYAL-UJNFCWOMSA-N 1 2 299.327 -1.458 20 0 CAADLO CC[NH+]1CCN(C(=O)C(=O)NCC[S@](C)=O)CC1 ZINC000804992065 582143167 /nfs/dbraw/zinc/14/31/67/582143167.db2.gz VJUSZZAYBVJJCS-SFHVURJKSA-N 1 2 275.374 -1.355 20 0 CAADLO C[S@](=O)CCNC(=O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000804994458 582143218 /nfs/dbraw/zinc/14/32/18/582143218.db2.gz JERYZUNNSSPPCK-IBGZPJMESA-N 1 2 287.385 -1.212 20 0 CAADLO C[S@@](=O)CCNC(=O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000804994459 582143259 /nfs/dbraw/zinc/14/32/59/582143259.db2.gz JERYZUNNSSPPCK-LJQANCHMSA-N 1 2 287.385 -1.212 20 0 CAADLO O[C@@H]1C[C@H](O)CN(C(=S)NCC[NH+]2CCOCC2)C1 ZINC000751905775 582143719 /nfs/dbraw/zinc/14/37/19/582143719.db2.gz XHWSJHZDHRLCLC-PHIMTYICSA-N 1 2 289.401 -1.379 20 0 CAADLO CCOCCNC(=O)CO[NH+]=C(N)CN1CCOCC1 ZINC000753171570 582144203 /nfs/dbraw/zinc/14/42/03/582144203.db2.gz MSIXXJKJDSCDBV-UHFFFAOYSA-N 1 2 288.348 -1.030 20 0 CAADLO CN(C)S(=O)(=O)N1CC[NH+](CC[S@@](C)=O)CC1 ZINC000754424812 582144579 /nfs/dbraw/zinc/14/45/79/582144579.db2.gz KEISBLUVAFSFMW-MRXNPFEDSA-N 1 2 283.419 -1.211 20 0 CAADLO CN(C)S(=O)(=O)N1CC[NH+](CC[S@](C)=O)CC1 ZINC000754424811 582144601 /nfs/dbraw/zinc/14/46/01/582144601.db2.gz KEISBLUVAFSFMW-INIZCTEOSA-N 1 2 283.419 -1.211 20 0 CAADLO COC[C@](C)(O)C(=O)N1CCC[N@H+](CC(N)=O)CC1 ZINC000754998793 582144788 /nfs/dbraw/zinc/14/47/88/582144788.db2.gz UEDQOZMKMLAKRT-LBPRGKRZSA-N 1 2 273.333 -1.597 20 0 CAADLO COC[C@](C)(O)C(=O)N1CCC[N@@H+](CC(N)=O)CC1 ZINC000754998793 582144789 /nfs/dbraw/zinc/14/47/89/582144789.db2.gz UEDQOZMKMLAKRT-LBPRGKRZSA-N 1 2 273.333 -1.597 20 0 CAADLO COC[C@@](C)(O)C(=O)N1CC[NH+](CC[S@](C)=O)CC1 ZINC000755012111 582144833 /nfs/dbraw/zinc/14/48/33/582144833.db2.gz IOGOLNHQKCETBH-BLVKFPJESA-N 1 2 292.401 -1.094 20 0 CAADLO COC[C@](C)(O)C(=O)N1CC[NH+](CC[S@@](C)=O)CC1 ZINC000755012114 582144856 /nfs/dbraw/zinc/14/48/56/582144856.db2.gz IOGOLNHQKCETBH-HXPMCKFVSA-N 1 2 292.401 -1.094 20 0 CAADLO O=C(CCn1cc[nH]c(=O)c1=O)N1CC[NH+](CCO)CC1 ZINC000755147017 582144863 /nfs/dbraw/zinc/14/48/63/582144863.db2.gz QAPRRSISCNMPIP-UHFFFAOYSA-N 1 2 296.327 -1.937 20 0 CAADLO COC[C@@](C)(O)C(=O)N1CC[NH+](CC[S@@](C)=O)CC1 ZINC000755012113 582144928 /nfs/dbraw/zinc/14/49/28/582144928.db2.gz IOGOLNHQKCETBH-CWTRNNRKSA-N 1 2 292.401 -1.094 20 0 CAADLO C[C@@H](C[NH+](C)C)NS(=O)(=O)CCS(C)(=O)=O ZINC000805114926 582145434 /nfs/dbraw/zinc/14/54/34/582145434.db2.gz DCVAIUAONYZGKQ-QMMMGPOBSA-N 1 2 272.392 -1.100 20 0 CAADLO O=C(/C=C/C[NH+]1CCOCC1)N1CCN(C(=O)CO)CC1 ZINC000867018867 582145527 /nfs/dbraw/zinc/14/55/27/582145527.db2.gz AIZGQRSYPREQRN-OWOJBTEDSA-N 1 2 297.355 -1.462 20 0 CAADLO C[C@H](NS(C)(=O)=O)C(=O)OCC[NH+]1CCOCC1 ZINC000758497706 582146549 /nfs/dbraw/zinc/14/65/49/582146549.db2.gz XUEOKCUQLRZQDK-VIFPVBQESA-N 1 2 280.346 -1.201 20 0 CAADLO Cn1c(N)c(C(=O)C[N@@H+]2CC[C@H]3C[C@H]32)c(=O)n(C)c1=O ZINC000761085471 582147668 /nfs/dbraw/zinc/14/76/68/582147668.db2.gz BYLADKUZPHTAKB-JGVFFNPUSA-N 1 2 278.312 -1.057 20 0 CAADLO Cn1c(N)c(C(=O)C[N@H+]2CC[C@H]3C[C@H]32)c(=O)n(C)c1=O ZINC000761085471 582147669 /nfs/dbraw/zinc/14/76/69/582147669.db2.gz BYLADKUZPHTAKB-JGVFFNPUSA-N 1 2 278.312 -1.057 20 0 CAADLO COC(=O)N[C@@H](C)C(=O)N1CCC[N@H+](CC(N)=O)CC1 ZINC000761663129 582147923 /nfs/dbraw/zinc/14/79/23/582147923.db2.gz UHLVTWWMURVFTC-VIFPVBQESA-N 1 2 286.332 -1.250 20 0 CAADLO COC(=O)N[C@@H](C)C(=O)N1CCC[N@@H+](CC(N)=O)CC1 ZINC000761663129 582147924 /nfs/dbraw/zinc/14/79/24/582147924.db2.gz UHLVTWWMURVFTC-VIFPVBQESA-N 1 2 286.332 -1.250 20 0 CAADLO CN(CCS(C)(=O)=O)C(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000764126416 582148914 /nfs/dbraw/zinc/14/89/14/582148914.db2.gz PEAYOHMJZNSQSG-LLVKDONJSA-N 1 2 289.401 -1.121 20 0 CAADLO CN(CCS(C)(=O)=O)C(=O)[C@H]1C[N@H+]2CCN1CCC2 ZINC000764126416 582148916 /nfs/dbraw/zinc/14/89/16/582148916.db2.gz PEAYOHMJZNSQSG-LLVKDONJSA-N 1 2 289.401 -1.121 20 0 CAADLO NS(=O)(=O)CC[N@@H+]1CCN2C(=O)OCC[C@H]2C1 ZINC000764445716 582149248 /nfs/dbraw/zinc/14/92/48/582149248.db2.gz CVBPZMJPRLQDJX-QMMMGPOBSA-N 1 2 263.319 -1.199 20 0 CAADLO NS(=O)(=O)CC[N@H+]1CCN2C(=O)OCC[C@H]2C1 ZINC000764445716 582149250 /nfs/dbraw/zinc/14/92/50/582149250.db2.gz CVBPZMJPRLQDJX-QMMMGPOBSA-N 1 2 263.319 -1.199 20 0 CAADLO NS(=O)(=O)CC[N@@H+]1CCN2C(=O)OCC[C@@H]2C1 ZINC000764445704 582149258 /nfs/dbraw/zinc/14/92/58/582149258.db2.gz CVBPZMJPRLQDJX-MRVPVSSYSA-N 1 2 263.319 -1.199 20 0 CAADLO NS(=O)(=O)CC[N@H+]1CCN2C(=O)OCC[C@@H]2C1 ZINC000764445704 582149259 /nfs/dbraw/zinc/14/92/59/582149259.db2.gz CVBPZMJPRLQDJX-MRVPVSSYSA-N 1 2 263.319 -1.199 20 0 CAADLO CS(=O)(=O)N[C@@H]1CCC[N@@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC000765963604 582150332 /nfs/dbraw/zinc/15/03/32/582150332.db2.gz KOWKRCUODIBGHP-RKDXNWHRSA-N 1 2 289.357 -1.195 20 0 CAADLO CS(=O)(=O)N[C@@H]1CCC[N@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC000765963604 582150333 /nfs/dbraw/zinc/15/03/33/582150333.db2.gz KOWKRCUODIBGHP-RKDXNWHRSA-N 1 2 289.357 -1.195 20 0 CAADLO C[N@H+](CC(=O)N1CCOCC1)[C@@H]1CCC(=O)NC1=O ZINC000765963001 582150376 /nfs/dbraw/zinc/15/03/76/582150376.db2.gz IUPJCWSVVKWHNN-SECBINFHSA-N 1 2 269.301 -1.418 20 0 CAADLO C[N@@H+](CC(=O)N1CCOCC1)[C@@H]1CCC(=O)NC1=O ZINC000765963001 582150377 /nfs/dbraw/zinc/15/03/77/582150377.db2.gz IUPJCWSVVKWHNN-SECBINFHSA-N 1 2 269.301 -1.418 20 0 CAADLO O=C(CO)N1CC[NH+]([C@@H]2CCC(=O)NC2=O)CC1 ZINC000765960539 582150386 /nfs/dbraw/zinc/15/03/86/582150386.db2.gz AOGZFMFNOKRAOW-MRVPVSSYSA-N 1 2 255.274 -2.072 20 0 CAADLO CS(=O)(=O)N[C@H]1CCC[N@@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC000765963603 582150412 /nfs/dbraw/zinc/15/04/12/582150412.db2.gz KOWKRCUODIBGHP-IUCAKERBSA-N 1 2 289.357 -1.195 20 0 CAADLO CS(=O)(=O)N[C@H]1CCC[N@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC000765963603 582150413 /nfs/dbraw/zinc/15/04/13/582150413.db2.gz KOWKRCUODIBGHP-IUCAKERBSA-N 1 2 289.357 -1.195 20 0 CAADLO NC(=O)CNC(=S)NCC1([NH+]2CCOCC2)CC1 ZINC000765974980 582150528 /nfs/dbraw/zinc/15/05/28/582150528.db2.gz DWWXIHHABVNYFD-UHFFFAOYSA-N 1 2 272.374 -1.199 20 0 CAADLO C[N@H+](CCN1CCOC1=O)CCS(N)(=O)=O ZINC000766117531 582150543 /nfs/dbraw/zinc/15/05/43/582150543.db2.gz BFFAYFPQLAORCU-UHFFFAOYSA-N 1 2 251.308 -1.341 20 0 CAADLO C[N@@H+](CCN1CCOC1=O)CCS(N)(=O)=O ZINC000766117531 582150544 /nfs/dbraw/zinc/15/05/44/582150544.db2.gz BFFAYFPQLAORCU-UHFFFAOYSA-N 1 2 251.308 -1.341 20 0 CAADLO COC(=O)/C(C)=C\C[N@@H+]1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC000766095804 582150553 /nfs/dbraw/zinc/15/05/53/582150553.db2.gz SDQHDOKXPBGLGT-BNFOFFDWSA-N 1 2 281.312 -1.252 20 0 CAADLO COC(=O)/C(C)=C\C[N@H+]1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC000766095804 582150554 /nfs/dbraw/zinc/15/05/54/582150554.db2.gz SDQHDOKXPBGLGT-BNFOFFDWSA-N 1 2 281.312 -1.252 20 0 CAADLO CC(C)C(=O)NCC[N@H+](C)CCS(N)(=O)=O ZINC000767773324 582151438 /nfs/dbraw/zinc/15/14/38/582151438.db2.gz CRENACBXWHVIAJ-UHFFFAOYSA-N 1 2 251.352 -1.021 20 0 CAADLO CC(C)C(=O)NCC[N@@H+](C)CCS(N)(=O)=O ZINC000767773324 582151440 /nfs/dbraw/zinc/15/14/40/582151440.db2.gz CRENACBXWHVIAJ-UHFFFAOYSA-N 1 2 251.352 -1.021 20 0 CAADLO O=C(CC[N@@H+]1CCN2C(=O)C(=O)NC[C@H]2C1)C1CC1 ZINC000767417542 582151470 /nfs/dbraw/zinc/15/14/70/582151470.db2.gz PEFJTCNRUPOJCI-JTQLQIEISA-N 1 2 265.313 -1.002 20 0 CAADLO O=C(CC[N@H+]1CCN2C(=O)C(=O)NC[C@H]2C1)C1CC1 ZINC000767417542 582151472 /nfs/dbraw/zinc/15/14/72/582151472.db2.gz PEFJTCNRUPOJCI-JTQLQIEISA-N 1 2 265.313 -1.002 20 0 CAADLO C[N@@H+]1CCO[C@@H](C(=O)N2CCOC[C@@H]2CCO)C1 ZINC000769053465 582151894 /nfs/dbraw/zinc/15/18/94/582151894.db2.gz GFSCDJVPIDDVAQ-WDEREUQCSA-N 1 2 258.318 -1.073 20 0 CAADLO C[N@H+]1CCO[C@@H](C(=O)N2CCOC[C@@H]2CCO)C1 ZINC000769053465 582151895 /nfs/dbraw/zinc/15/18/95/582151895.db2.gz GFSCDJVPIDDVAQ-WDEREUQCSA-N 1 2 258.318 -1.073 20 0 CAADLO C[C@H](NC(=S)NCC(N)=O)[C@@H]1C[N@H+](C)CCO1 ZINC000769794500 582152151 /nfs/dbraw/zinc/15/21/51/582152151.db2.gz PBFFYHXMCBRWKU-YUMQZZPRSA-N 1 2 260.363 -1.345 20 0 CAADLO C[C@H](NC(=S)NCC(N)=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000769794500 582152152 /nfs/dbraw/zinc/15/21/52/582152152.db2.gz PBFFYHXMCBRWKU-YUMQZZPRSA-N 1 2 260.363 -1.345 20 0 CAADLO C[C@@H](NC(=S)NCC(N)=O)[C@@H]1C[N@H+](C)CCO1 ZINC000769794497 582152164 /nfs/dbraw/zinc/15/21/64/582152164.db2.gz PBFFYHXMCBRWKU-SFYZADRCSA-N 1 2 260.363 -1.345 20 0 CAADLO C[C@@H](NC(=S)NCC(N)=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000769794497 582152165 /nfs/dbraw/zinc/15/21/65/582152165.db2.gz PBFFYHXMCBRWKU-SFYZADRCSA-N 1 2 260.363 -1.345 20 0 CAADLO CN1C(=O)CN(NC(=O)[C@@H]2C[N@H+](C)CCO2)C1=O ZINC000770536474 582152538 /nfs/dbraw/zinc/15/25/38/582152538.db2.gz JFGYRFDWNCUDLR-ZETCQYMHSA-N 1 2 256.262 -1.758 20 0 CAADLO CN1C(=O)CN(NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1=O ZINC000770536474 582152539 /nfs/dbraw/zinc/15/25/39/582152539.db2.gz JFGYRFDWNCUDLR-ZETCQYMHSA-N 1 2 256.262 -1.758 20 0 CAADLO CCNS(=O)(=O)[C@@H]1CC[N@H+](CCS(N)(=O)=O)C1 ZINC000771466192 582152699 /nfs/dbraw/zinc/15/26/99/582152699.db2.gz FZNREGXAKVYMIQ-MRVPVSSYSA-N 1 2 285.391 -1.712 20 0 CAADLO CCNS(=O)(=O)[C@@H]1CC[N@@H+](CCS(N)(=O)=O)C1 ZINC000771466192 582152700 /nfs/dbraw/zinc/15/27/00/582152700.db2.gz FZNREGXAKVYMIQ-MRVPVSSYSA-N 1 2 285.391 -1.712 20 0 CAADLO O=C(CN1CC(=O)NC1=O)OCCn1cc[nH+]c1 ZINC000771960799 582152956 /nfs/dbraw/zinc/15/29/56/582152956.db2.gz ZFZSWURMGDSOQN-UHFFFAOYSA-N 1 2 252.230 -1.022 20 0 CAADLO C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](S(N)(=O)=O)C2)CCO1 ZINC000772222676 582153066 /nfs/dbraw/zinc/15/30/66/582153066.db2.gz MDYWECLNXIWPTR-ZJUUUORDSA-N 1 2 291.373 -1.404 20 0 CAADLO C[C@@H]1CN(C(=O)C[N@H+]2CC[C@H](S(N)(=O)=O)C2)CCO1 ZINC000772222676 582153068 /nfs/dbraw/zinc/15/30/68/582153068.db2.gz MDYWECLNXIWPTR-ZJUUUORDSA-N 1 2 291.373 -1.404 20 0 CAADLO C[C@H]1CN(C(=O)C[N@@H+]2CC[C@H](S(N)(=O)=O)C2)CCO1 ZINC000772222674 582153194 /nfs/dbraw/zinc/15/31/94/582153194.db2.gz MDYWECLNXIWPTR-UWVGGRQHSA-N 1 2 291.373 -1.404 20 0 CAADLO C[C@H]1CN(C(=O)C[N@H+]2CC[C@H](S(N)(=O)=O)C2)CCO1 ZINC000772222674 582153195 /nfs/dbraw/zinc/15/31/95/582153195.db2.gz MDYWECLNXIWPTR-UWVGGRQHSA-N 1 2 291.373 -1.404 20 0 CAADLO C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@@H](S(N)(=O)=O)C2)CCO1 ZINC000772222673 582153205 /nfs/dbraw/zinc/15/32/05/582153205.db2.gz MDYWECLNXIWPTR-NXEZZACHSA-N 1 2 291.373 -1.404 20 0 CAADLO C[C@@H]1CN(C(=O)C[N@H+]2CC[C@@H](S(N)(=O)=O)C2)CCO1 ZINC000772222673 582153206 /nfs/dbraw/zinc/15/32/06/582153206.db2.gz MDYWECLNXIWPTR-NXEZZACHSA-N 1 2 291.373 -1.404 20 0 CAADLO CC[N@@H+]1CCO[C@H](C(=O)OCCNS(C)(=O)=O)C1 ZINC000805470669 582153680 /nfs/dbraw/zinc/15/36/80/582153680.db2.gz VMTBQNWKCHWCKP-VIFPVBQESA-N 1 2 280.346 -1.201 20 0 CAADLO CC[N@H+]1CCO[C@H](C(=O)OCCNS(C)(=O)=O)C1 ZINC000805470669 582153681 /nfs/dbraw/zinc/15/36/81/582153681.db2.gz VMTBQNWKCHWCKP-VIFPVBQESA-N 1 2 280.346 -1.201 20 0 CAADLO CC[N@@H+]1CCO[C@@H](C(=O)OCc2nc(=O)n(C)[nH]2)C1 ZINC000805474922 582153801 /nfs/dbraw/zinc/15/38/01/582153801.db2.gz IDWDJVVWLVSJNN-MRVPVSSYSA-N 1 2 270.289 -1.128 20 0 CAADLO CC[N@H+]1CCO[C@@H](C(=O)OCc2nc(=O)n(C)[nH]2)C1 ZINC000805474922 582153803 /nfs/dbraw/zinc/15/38/03/582153803.db2.gz IDWDJVVWLVSJNN-MRVPVSSYSA-N 1 2 270.289 -1.128 20 0 CAADLO CC[N@@H+]1CCO[C@H](C(=O)OCc2nc(=O)n(C)[nH]2)C1 ZINC000805474925 582153836 /nfs/dbraw/zinc/15/38/36/582153836.db2.gz IDWDJVVWLVSJNN-QMMMGPOBSA-N 1 2 270.289 -1.128 20 0 CAADLO CC[N@H+]1CCO[C@H](C(=O)OCc2nc(=O)n(C)[nH]2)C1 ZINC000805474925 582153837 /nfs/dbraw/zinc/15/38/37/582153837.db2.gz IDWDJVVWLVSJNN-QMMMGPOBSA-N 1 2 270.289 -1.128 20 0 CAADLO CC[N@@H+]1CCO[C@@H](C(=O)OCCN2C(=O)CNC2=O)C1 ZINC000805475373 582153945 /nfs/dbraw/zinc/15/39/45/582153945.db2.gz OYRTVTQVOSCOMK-SECBINFHSA-N 1 2 285.300 -1.198 20 0 CAADLO CC[N@H+]1CCO[C@@H](C(=O)OCCN2C(=O)CNC2=O)C1 ZINC000805475373 582153946 /nfs/dbraw/zinc/15/39/46/582153946.db2.gz OYRTVTQVOSCOMK-SECBINFHSA-N 1 2 285.300 -1.198 20 0 CAADLO CN1N=C(C(=O)N[C@@H](CO)C[NH+]2CCOCC2)CCC1=O ZINC000773382155 582154103 /nfs/dbraw/zinc/15/41/03/582154103.db2.gz FMPNQUPDKNZYBQ-SNVBAGLBSA-N 1 2 298.343 -1.596 20 0 CAADLO Cn1cc([C@H](O)C(=O)NCC[NH+]2CCOCC2)cn1 ZINC000773699098 582154299 /nfs/dbraw/zinc/15/42/99/582154299.db2.gz DNXUAOREHAGQMU-NSHDSACASA-N 1 2 268.317 -1.098 20 0 CAADLO CON(C)C(=O)C[N@@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000774621928 582154835 /nfs/dbraw/zinc/15/48/35/582154835.db2.gz GGMVFFMBEQPRQD-MRVPVSSYSA-N 1 2 265.335 -1.370 20 0 CAADLO CON(C)C(=O)C[N@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000774621928 582154837 /nfs/dbraw/zinc/15/48/37/582154837.db2.gz GGMVFFMBEQPRQD-MRVPVSSYSA-N 1 2 265.335 -1.370 20 0 CAADLO CON(C)C(=O)C[NH+]1CCN(c2nccn(C)c2=O)CC1 ZINC000774641502 582154852 /nfs/dbraw/zinc/15/48/52/582154852.db2.gz CSGMACBJNJWUOV-UHFFFAOYSA-N 1 2 295.343 -1.078 20 0 CAADLO CON(C)C(=O)C[N@H+](CCO)CCN1CCOCC1 ZINC000774541507 582154859 /nfs/dbraw/zinc/15/48/59/582154859.db2.gz RDDYPELJFHLRMU-UHFFFAOYSA-N 1 2 275.349 -1.367 20 0 CAADLO CON(C)C(=O)C[N@@H+](CCO)CCN1CCOCC1 ZINC000774541507 582154860 /nfs/dbraw/zinc/15/48/60/582154860.db2.gz RDDYPELJFHLRMU-UHFFFAOYSA-N 1 2 275.349 -1.367 20 0 CAADLO CCN1C(=O)[C@H]2C[N@H+](CC(=O)N(C)OC)CCN2C1=O ZINC000774660532 582154865 /nfs/dbraw/zinc/15/48/65/582154865.db2.gz OFTUDXLQJHJZCH-SECBINFHSA-N 1 2 284.316 -1.026 20 0 CAADLO CCN1C(=O)[C@H]2C[N@@H+](CC(=O)N(C)OC)CCN2C1=O ZINC000774660532 582154867 /nfs/dbraw/zinc/15/48/67/582154867.db2.gz OFTUDXLQJHJZCH-SECBINFHSA-N 1 2 284.316 -1.026 20 0 CAADLO CON(C)C(=O)C[N@@H+]1CC[C@@H](S(N)(=O)=O)C1 ZINC000774713934 582154984 /nfs/dbraw/zinc/15/49/84/582154984.db2.gz ONAIRHBCFGLIBE-SSDOTTSWSA-N 1 2 251.308 -1.631 20 0 CAADLO CON(C)C(=O)C[N@@H+]1CCC[C@H]1CS(N)(=O)=O ZINC000774681024 582155002 /nfs/dbraw/zinc/15/50/02/582155002.db2.gz HLIZURQLRJGEQR-QMMMGPOBSA-N 1 2 265.335 -1.241 20 0 CAADLO CON(C)C(=O)C[N@H+]1CCC[C@H]1CS(N)(=O)=O ZINC000774681024 582155004 /nfs/dbraw/zinc/15/50/04/582155004.db2.gz HLIZURQLRJGEQR-QMMMGPOBSA-N 1 2 265.335 -1.241 20 0 CAADLO O=C(NCC[NH+]1CCOCC1)N1C[C@@H](O)C[C@H]1CO ZINC000776096838 582155507 /nfs/dbraw/zinc/15/55/07/582155507.db2.gz QUZBEJWQYRPWKI-QWRGUYRKSA-N 1 2 273.333 -1.544 20 0 CAADLO CN1C(=O)CN(C[N@@H+]2CC[C@@H](NS(C)(=O)=O)C2)C1=O ZINC000776200365 582155513 /nfs/dbraw/zinc/15/55/13/582155513.db2.gz LFKDDRZPCDPUDN-MRVPVSSYSA-N 1 2 290.345 -1.539 20 0 CAADLO CN1C(=O)CN(C[N@H+]2CC[C@@H](NS(C)(=O)=O)C2)C1=O ZINC000776200365 582155514 /nfs/dbraw/zinc/15/55/14/582155514.db2.gz LFKDDRZPCDPUDN-MRVPVSSYSA-N 1 2 290.345 -1.539 20 0 CAADLO CNS(=O)(=O)[C@@H]1CC[N@H+](CN2CC(=O)N(C)C2=O)C1 ZINC000776201979 582155606 /nfs/dbraw/zinc/15/56/06/582155606.db2.gz MSZZIOFRCYZDMT-MRVPVSSYSA-N 1 2 290.345 -1.539 20 0 CAADLO CNS(=O)(=O)[C@@H]1CC[N@@H+](CN2CC(=O)N(C)C2=O)C1 ZINC000776201979 582155607 /nfs/dbraw/zinc/15/56/07/582155607.db2.gz MSZZIOFRCYZDMT-MRVPVSSYSA-N 1 2 290.345 -1.539 20 0 CAADLO CS(=O)(=O)N[C@H]1CC[N@H+](CC2OCCO2)C1 ZINC000777587207 582156110 /nfs/dbraw/zinc/15/61/10/582156110.db2.gz BJZBOHFGKDDJQD-QMMMGPOBSA-N 1 2 250.320 -1.017 20 0 CAADLO CS(=O)(=O)N[C@H]1CC[N@@H+](CC2OCCO2)C1 ZINC000777587207 582156112 /nfs/dbraw/zinc/15/61/12/582156112.db2.gz BJZBOHFGKDDJQD-QMMMGPOBSA-N 1 2 250.320 -1.017 20 0 CAADLO CNS(=O)(=O)[C@H]1CC[N@H+](CC2OCCO2)C1 ZINC000777711947 582156131 /nfs/dbraw/zinc/15/61/31/582156131.db2.gz FMWNZPBRKPDZFL-QMMMGPOBSA-N 1 2 250.320 -1.017 20 0 CAADLO CNS(=O)(=O)[C@H]1CC[N@@H+](CC2OCCO2)C1 ZINC000777711947 582156133 /nfs/dbraw/zinc/15/61/33/582156133.db2.gz FMWNZPBRKPDZFL-QMMMGPOBSA-N 1 2 250.320 -1.017 20 0 CAADLO COC(=O)[C@@H](Cn1ccnc1)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000779567075 582157550 /nfs/dbraw/zinc/15/75/50/582157550.db2.gz UJNQSOBFYRPHAK-MNOVXSKESA-N 1 2 296.327 -1.129 20 0 CAADLO COC(=O)[C@@H](Cn1ccnc1)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000779567075 582157551 /nfs/dbraw/zinc/15/75/51/582157551.db2.gz UJNQSOBFYRPHAK-MNOVXSKESA-N 1 2 296.327 -1.129 20 0 CAADLO CC(=O)N[C@H]1CCCN(C(=O)CO[NH+]=C(N)CCO)C1 ZINC000780123842 582157689 /nfs/dbraw/zinc/15/76/89/582157689.db2.gz AGDPRGKSPGEFOI-JTQLQIEISA-N 1 2 286.332 -1.006 20 0 CAADLO COC(=O)[C@@H]1CC(=O)N(C[N@H+](C)[C@@H]2CCNC2=O)C1 ZINC000782269619 582158692 /nfs/dbraw/zinc/15/86/92/582158692.db2.gz BCESMAAUWFSNGV-RKDXNWHRSA-N 1 2 269.301 -1.214 20 0 CAADLO COC(=O)[C@@H]1CC(=O)N(C[N@@H+](C)[C@@H]2CCNC2=O)C1 ZINC000782269619 582158693 /nfs/dbraw/zinc/15/86/93/582158693.db2.gz BCESMAAUWFSNGV-RKDXNWHRSA-N 1 2 269.301 -1.214 20 0 CAADLO C[C@H](C[NH+]1CCOCC1)OC(=O)C[C@@H]1NC(=O)NC1=O ZINC000782297956 582158695 /nfs/dbraw/zinc/15/86/95/582158695.db2.gz FJDKBRXCLXHEEI-BDAKNGLRSA-N 1 2 285.300 -1.152 20 0 CAADLO C[C@H]1CN(C)C(=O)C[N@@H+]1CCN1C(=O)CNC1=O ZINC000782595511 582158988 /nfs/dbraw/zinc/15/89/88/582158988.db2.gz KLSPGYWERSNZRR-QMMMGPOBSA-N 1 2 254.290 -1.299 20 0 CAADLO C[C@H]1CN(C)C(=O)C[N@H+]1CCN1C(=O)CNC1=O ZINC000782595511 582158990 /nfs/dbraw/zinc/15/89/90/582158990.db2.gz KLSPGYWERSNZRR-QMMMGPOBSA-N 1 2 254.290 -1.299 20 0 CAADLO C[C@H](NC(=O)C[N@@H+]1C[C@H]2C[C@@]2(CO)C1)C(=O)N(C)C ZINC000782635139 582159128 /nfs/dbraw/zinc/15/91/28/582159128.db2.gz TZNXIYNAEZCHOX-CWSCBRNRSA-N 1 2 269.345 -1.107 20 0 CAADLO C[C@H](NC(=O)C[N@H+]1C[C@H]2C[C@@]2(CO)C1)C(=O)N(C)C ZINC000782635139 582159129 /nfs/dbraw/zinc/15/91/29/582159129.db2.gz TZNXIYNAEZCHOX-CWSCBRNRSA-N 1 2 269.345 -1.107 20 0 CAADLO Cc1ccc(NC(=O)C(=O)NC[C@H](O)CO)c(N(C)C)[nH+]1 ZINC000783097707 582159352 /nfs/dbraw/zinc/15/93/52/582159352.db2.gz BYIYUVDEDICBNU-VIFPVBQESA-N 1 2 296.327 -1.136 20 0 CAADLO C[C@@H]1CN(C)C(=O)C[N@@H+]1Cc1cn(C)c(=O)n(C)c1=O ZINC000783730111 582159610 /nfs/dbraw/zinc/15/96/10/582159610.db2.gz PXAYPRHZFRJEDX-SECBINFHSA-N 1 2 280.328 -1.254 20 0 CAADLO C[C@@H]1CN(C)C(=O)C[N@H+]1Cc1cn(C)c(=O)n(C)c1=O ZINC000783730111 582159611 /nfs/dbraw/zinc/15/96/11/582159611.db2.gz PXAYPRHZFRJEDX-SECBINFHSA-N 1 2 280.328 -1.254 20 0 CAADLO C[C@H](C[NH+]1CCOCC1)OC(=O)c1cn(CC(N)=O)nn1 ZINC000784917929 582160103 /nfs/dbraw/zinc/16/01/03/582160103.db2.gz JETUKXMHEHKDHB-SECBINFHSA-N 1 2 297.315 -1.359 20 0 CAADLO O=C(OCCO)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000785656200 582160171 /nfs/dbraw/zinc/16/01/71/582160171.db2.gz VXCZEEDSAAJCBB-LLVKDONJSA-N 1 2 286.328 -1.297 20 0 CAADLO C[C@H](O)C[NH+]1CCN(C(=O)c2cnn(C)n2)CC1 ZINC000786101939 582160533 /nfs/dbraw/zinc/16/05/33/582160533.db2.gz AVWRJIMLGGGIBM-VIFPVBQESA-N 1 2 253.306 -1.046 20 0 CAADLO CO[C@H]1CC(=O)N(C[N@@H+]2CC[C@@H](NS(C)(=O)=O)C2)C1 ZINC000787219296 582161049 /nfs/dbraw/zinc/16/10/49/582161049.db2.gz JILKICASGJFDBS-ZJUUUORDSA-N 1 2 291.373 -1.185 20 0 CAADLO CO[C@H]1CC(=O)N(C[N@H+]2CC[C@@H](NS(C)(=O)=O)C2)C1 ZINC000787219296 582161050 /nfs/dbraw/zinc/16/10/50/582161050.db2.gz JILKICASGJFDBS-ZJUUUORDSA-N 1 2 291.373 -1.185 20 0 CAADLO CNS(=O)(=O)[C@H]1CC[N@H+](CN2C[C@@H](OC)CC2=O)C1 ZINC000787227773 582161122 /nfs/dbraw/zinc/16/11/22/582161122.db2.gz YJDVPADVDFDRQG-UWVGGRQHSA-N 1 2 291.373 -1.185 20 0 CAADLO CNS(=O)(=O)[C@H]1CC[N@@H+](CN2C[C@@H](OC)CC2=O)C1 ZINC000787227773 582161123 /nfs/dbraw/zinc/16/11/23/582161123.db2.gz YJDVPADVDFDRQG-UWVGGRQHSA-N 1 2 291.373 -1.185 20 0 CAADLO CO[C@H]1CC(=O)N(C[N@@H+]2CC[C@H](NS(C)(=O)=O)C2)C1 ZINC000787219294 582161132 /nfs/dbraw/zinc/16/11/32/582161132.db2.gz JILKICASGJFDBS-UWVGGRQHSA-N 1 2 291.373 -1.185 20 0 CAADLO CO[C@H]1CC(=O)N(C[N@H+]2CC[C@H](NS(C)(=O)=O)C2)C1 ZINC000787219294 582161133 /nfs/dbraw/zinc/16/11/33/582161133.db2.gz JILKICASGJFDBS-UWVGGRQHSA-N 1 2 291.373 -1.185 20 0 CAADLO Cn1nncc1NC(=O)N1CC[NH+](CCO)CC1 ZINC000787791807 582161534 /nfs/dbraw/zinc/16/15/34/582161534.db2.gz FKPDBBMPZVNGJZ-UHFFFAOYSA-N 1 2 254.294 -1.043 20 0 CAADLO COC(=O)CN1CC[NH+](CC(=O)N(C)OC)CC1 ZINC000789407815 582162333 /nfs/dbraw/zinc/16/23/33/582162333.db2.gz IKNAWSQFERMXNL-UHFFFAOYSA-N 1 2 259.306 -1.203 20 0 CAADLO C[C@@H]1CN(C(=O)c2cnn(C)n2)CC[N@@H+]1CCO ZINC000793467728 582163823 /nfs/dbraw/zinc/16/38/23/582163823.db2.gz BXDQKSSMDBOTQX-SECBINFHSA-N 1 2 253.306 -1.046 20 0 CAADLO C[C@@H]1CN(C(=O)c2cnn(C)n2)CC[N@H+]1CCO ZINC000793467728 582163825 /nfs/dbraw/zinc/16/38/25/582163825.db2.gz BXDQKSSMDBOTQX-SECBINFHSA-N 1 2 253.306 -1.046 20 0 CAADLO O=C(CC1OCCO1)N(CCO)CC[NH+]1CCOCC1 ZINC000793692170 582163961 /nfs/dbraw/zinc/16/39/61/582163961.db2.gz GQTIRKFCXHIBJS-UHFFFAOYSA-N 1 2 288.344 -1.098 20 0 CAADLO COC(=O)[C@H]1[C@@H]2C[N@@H+](CN3C(=O)C(=O)N(C)C3=O)C[C@@H]21 ZINC000793645059 582163978 /nfs/dbraw/zinc/16/39/78/582163978.db2.gz UYTYLXMHJMPFJP-JIGDXULJSA-N 1 2 281.268 -1.285 20 0 CAADLO COC(=O)[C@H]1[C@@H]2C[N@H+](CN3C(=O)C(=O)N(C)C3=O)C[C@@H]21 ZINC000793645059 582163979 /nfs/dbraw/zinc/16/39/79/582163979.db2.gz UYTYLXMHJMPFJP-JIGDXULJSA-N 1 2 281.268 -1.285 20 0 CAADLO COC(=O)[C@H]1[C@@H]2C[N@@H+](CC(=O)N3CCNC(=O)C3)C[C@@H]21 ZINC000794963796 582165172 /nfs/dbraw/zinc/16/51/72/582165172.db2.gz JTQSTOMNBCSAHE-GDGBQDQQSA-N 1 2 281.312 -1.704 20 0 CAADLO COC(=O)[C@H]1[C@@H]2C[N@H+](CC(=O)N3CCNC(=O)C3)C[C@@H]21 ZINC000794963796 582165174 /nfs/dbraw/zinc/16/51/74/582165174.db2.gz JTQSTOMNBCSAHE-GDGBQDQQSA-N 1 2 281.312 -1.704 20 0 CAADLO CNC(=O)NC(=O)C[N@H+]1C[C@H]2[C@H](C(=O)OC)[C@H]2C1 ZINC000794991931 582165354 /nfs/dbraw/zinc/16/53/54/582165354.db2.gz PIUSWCINYCPKRN-QMSLJYSESA-N 1 2 255.274 -1.207 20 0 CAADLO CNC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@H](C(=O)OC)[C@H]2C1 ZINC000794991931 582165355 /nfs/dbraw/zinc/16/53/55/582165355.db2.gz PIUSWCINYCPKRN-QMSLJYSESA-N 1 2 255.274 -1.207 20 0 CAADLO CNC(=O)[C@H](O)CNc1nc2c(cnn2C)c(N)[nH+]1 ZINC000808048339 582165509 /nfs/dbraw/zinc/16/55/09/582165509.db2.gz QAQMSSLJWKEMTG-ZCFIWIBFSA-N 1 2 265.277 -1.536 20 0 CAADLO CNC(=O)[C@]1(C)CC[N@H+](Cn2ncn(C)c2=O)C1 ZINC000797413372 582166498 /nfs/dbraw/zinc/16/64/98/582166498.db2.gz CUYIQEQHGOSDPI-LLVKDONJSA-N 1 2 253.306 -1.003 20 0 CAADLO CNC(=O)[C@]1(C)CC[N@@H+](Cn2ncn(C)c2=O)C1 ZINC000797413372 582166499 /nfs/dbraw/zinc/16/64/99/582166499.db2.gz CUYIQEQHGOSDPI-LLVKDONJSA-N 1 2 253.306 -1.003 20 0 CAADLO CNC(=O)N1CC[NH+]([C@@H]2CCC(=O)NC2=O)CC1 ZINC000799140735 582167130 /nfs/dbraw/zinc/16/71/30/582167130.db2.gz IZLSUTDQDJJFFA-MRVPVSSYSA-N 1 2 254.290 -1.251 20 0 CAADLO CNS(=O)(=O)[C@@H]1CCC[N@@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC000799138893 582167225 /nfs/dbraw/zinc/16/72/25/582167225.db2.gz QGSIBDXWFVXURR-RKDXNWHRSA-N 1 2 289.357 -1.195 20 0 CAADLO CNS(=O)(=O)[C@@H]1CCC[N@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC000799138893 582167226 /nfs/dbraw/zinc/16/72/26/582167226.db2.gz QGSIBDXWFVXURR-RKDXNWHRSA-N 1 2 289.357 -1.195 20 0 CAADLO CCNS(=O)(=O)[C@H]1CC[N@@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC000799150752 582167228 /nfs/dbraw/zinc/16/72/28/582167228.db2.gz PRDBPILJIYHBDY-DTWKUNHWSA-N 1 2 289.357 -1.195 20 0 CAADLO CCNS(=O)(=O)[C@H]1CC[N@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC000799150752 582167229 /nfs/dbraw/zinc/16/72/29/582167229.db2.gz PRDBPILJIYHBDY-DTWKUNHWSA-N 1 2 289.357 -1.195 20 0 CAADLO O=C1OC[C@@H]2C[N@@H+]([C@H]3CCC(=O)NC3=O)CCN12 ZINC000799126544 582167234 /nfs/dbraw/zinc/16/72/34/582167234.db2.gz GARPWGNNCYZDPV-YUMQZZPRSA-N 1 2 253.258 -1.072 20 0 CAADLO O=C1OC[C@@H]2C[N@H+]([C@H]3CCC(=O)NC3=O)CCN12 ZINC000799126544 582167235 /nfs/dbraw/zinc/16/72/35/582167235.db2.gz GARPWGNNCYZDPV-YUMQZZPRSA-N 1 2 253.258 -1.072 20 0 CAADLO CNS(=O)(=O)[C@@H]1CCC[N@@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC000799138886 582167254 /nfs/dbraw/zinc/16/72/54/582167254.db2.gz QGSIBDXWFVXURR-BDAKNGLRSA-N 1 2 289.357 -1.195 20 0 CAADLO CNS(=O)(=O)[C@@H]1CCC[N@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC000799138886 582167255 /nfs/dbraw/zinc/16/72/55/582167255.db2.gz QGSIBDXWFVXURR-BDAKNGLRSA-N 1 2 289.357 -1.195 20 0 CAADLO CCNS(=O)(=O)[C@@H]1CC[N@@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC000799150754 582167355 /nfs/dbraw/zinc/16/73/55/582167355.db2.gz PRDBPILJIYHBDY-RKDXNWHRSA-N 1 2 289.357 -1.195 20 0 CAADLO CCNS(=O)(=O)[C@@H]1CC[N@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC000799150754 582167356 /nfs/dbraw/zinc/16/73/56/582167356.db2.gz PRDBPILJIYHBDY-RKDXNWHRSA-N 1 2 289.357 -1.195 20 0 CAADLO CNC(=O)[C@@H](O)CNc1[nH+]cnc(-n2cccn2)c1N ZINC000808047180 582169608 /nfs/dbraw/zinc/16/96/08/582169608.db2.gz HTWSXZSRGJTUHR-ZETCQYMHSA-N 1 2 277.288 -1.237 20 0 CAADLO CNC(=O)[C@@H](O)CNc1cc(N2CCOCC2)nc[nH+]1 ZINC000808048545 582169776 /nfs/dbraw/zinc/16/97/76/582169776.db2.gz XIMXMOQBXYJFAG-VIFPVBQESA-N 1 2 281.316 -1.168 20 0 CAADLO CNC(=O)[C@@H](O)CNc1cc(N2CCOCC2)[nH+]cn1 ZINC000808048545 582169778 /nfs/dbraw/zinc/16/97/78/582169778.db2.gz XIMXMOQBXYJFAG-VIFPVBQESA-N 1 2 281.316 -1.168 20 0 CAADLO C[C@]1(C(N)=O)CC[N@H+](Cn2nnn(C3CC3)c2=O)C1 ZINC000808183682 582169921 /nfs/dbraw/zinc/16/99/21/582169921.db2.gz LEWCKJMVILUTGB-NSHDSACASA-N 1 2 266.305 -1.071 20 0 CAADLO C[C@]1(C(N)=O)CC[N@@H+](Cn2nnn(C3CC3)c2=O)C1 ZINC000808183682 582169922 /nfs/dbraw/zinc/16/99/22/582169922.db2.gz LEWCKJMVILUTGB-NSHDSACASA-N 1 2 266.305 -1.071 20 0 CAADLO COCCOCC[N@H+](C)CN1C(=O)C(=O)N(C)C1=O ZINC000808237522 582170166 /nfs/dbraw/zinc/17/01/66/582170166.db2.gz VGCSKLYLBDKBMT-UHFFFAOYSA-N 1 2 273.289 -1.041 20 0 CAADLO COCCOCC[N@@H+](C)CN1C(=O)C(=O)N(C)C1=O ZINC000808237522 582170167 /nfs/dbraw/zinc/17/01/67/582170167.db2.gz VGCSKLYLBDKBMT-UHFFFAOYSA-N 1 2 273.289 -1.041 20 0 CAADLO CNS(=O)(=O)N1CC[NH+](CC(OC)OC)CC1 ZINC000809567036 582170840 /nfs/dbraw/zinc/17/08/40/582170840.db2.gz ZOMAVCJEYUOXMI-UHFFFAOYSA-N 1 2 267.351 -1.313 20 0 CAADLO Cn1ncc(CN2CC[NH+](CCS(N)(=O)=O)CC2)n1 ZINC000809964565 582171389 /nfs/dbraw/zinc/17/13/89/582171389.db2.gz UXTWOXVVTNHDSU-UHFFFAOYSA-N 1 2 288.377 -1.779 20 0 CAADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)Nc1cn(C)nn1 ZINC000813011251 582172287 /nfs/dbraw/zinc/17/22/87/582172287.db2.gz RRVSGLIDSFKCQQ-SNVBAGLBSA-N 1 2 298.347 -1.028 20 0 CAADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)Nc1cn(C)nn1 ZINC000813011246 582172290 /nfs/dbraw/zinc/17/22/90/582172290.db2.gz RRVSGLIDSFKCQQ-JTQLQIEISA-N 1 2 298.347 -1.028 20 0 CAADLO C[N@@H+]1C[C@H]2CCN(S(=O)(=O)CCS(C)(=O)=O)[C@@H]2C1 ZINC000813739842 582172496 /nfs/dbraw/zinc/17/24/96/582172496.db2.gz UQORFXIDMZUVON-NXEZZACHSA-N 1 2 296.414 -1.003 20 0 CAADLO C[N@H+]1C[C@H]2CCN(S(=O)(=O)CCS(C)(=O)=O)[C@@H]2C1 ZINC000813739842 582172497 /nfs/dbraw/zinc/17/24/97/582172497.db2.gz UQORFXIDMZUVON-NXEZZACHSA-N 1 2 296.414 -1.003 20 0 CAADLO Cn1cnn(CCC(=O)OCC[NH+]2CCOCC2)c1=O ZINC000815271992 582173235 /nfs/dbraw/zinc/17/32/35/582173235.db2.gz ZVLPIJAIIMEIMK-UHFFFAOYSA-N 1 2 284.316 -1.153 20 0 CAADLO O=C(CCCn1cncn1)N[C@@H](CO)C[NH+]1CCOCC1 ZINC000816506494 582174098 /nfs/dbraw/zinc/17/40/98/582174098.db2.gz FEAXVPKHGYUZQU-GFCCVEGCSA-N 1 2 297.359 -1.132 20 0 CAADLO CN1C[C@H](C(=O)N2CC[NH+](CCO)CC2)CCC1=O ZINC000818703710 582176512 /nfs/dbraw/zinc/17/65/12/582176512.db2.gz SWDFABXMQDDUNI-LLVKDONJSA-N 1 2 269.345 -1.009 20 0 CAADLO CC(C)(C(=O)NCCn1cnnn1)[NH+]1CCOCC1 ZINC000819459725 582177429 /nfs/dbraw/zinc/17/74/29/582177429.db2.gz SQEMLOHASBOBLP-UHFFFAOYSA-N 1 2 268.321 -1.100 20 0 CAADLO O=C(N[C@H](CO)C[NH+]1CCOCC1)[C@H](O)c1cccnc1 ZINC000820011752 582178726 /nfs/dbraw/zinc/17/87/26/582178726.db2.gz WMMUYUKYFNOBCV-QWHCGFSZSA-N 1 2 295.339 -1.076 20 0 CAADLO COC(OC)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000820680174 582180705 /nfs/dbraw/zinc/18/07/05/582180705.db2.gz FINOPXBIDOTQIM-JTQLQIEISA-N 1 2 276.333 -1.243 20 0 CAADLO O=C(CCCc1nn[nH]n1)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000821134392 582181334 /nfs/dbraw/zinc/18/13/34/582181334.db2.gz DCDSKUZDBXMXDV-SNVBAGLBSA-N 1 2 279.348 -1.362 20 0 CAADLO O=C(NCCC[N@@H+]1CCNC(=O)C1)[C@H]1C[C@@H](O)C1 ZINC000821248325 582181593 /nfs/dbraw/zinc/18/15/93/582181593.db2.gz XFVYRMBKCIBKRC-AOOOYVTPSA-N 1 2 255.318 -1.305 20 0 CAADLO O=C(NCCC[N@H+]1CCNC(=O)C1)[C@H]1C[C@@H](O)C1 ZINC000821248325 582181594 /nfs/dbraw/zinc/18/15/94/582181594.db2.gz XFVYRMBKCIBKRC-AOOOYVTPSA-N 1 2 255.318 -1.305 20 0 CAADLO C[N@@H+]1CCC[C@H](NC(=O)Cn2cnc(-c3nn[nH]n3)n2)C1 ZINC000821623222 582183111 /nfs/dbraw/zinc/18/31/11/582183111.db2.gz GRUAILXYRCXFNT-QMMMGPOBSA-N 1 2 291.319 -1.331 20 0 CAADLO C[N@H+]1CCC[C@H](NC(=O)Cn2cnc(-c3nn[nH]n3)n2)C1 ZINC000821623222 582183112 /nfs/dbraw/zinc/18/31/12/582183112.db2.gz GRUAILXYRCXFNT-QMMMGPOBSA-N 1 2 291.319 -1.331 20 0 CAADLO C[N@@H+]1CCO[C@@H](C(=O)n2ncc(-c3nn[nH]n3)c2N)C1 ZINC000821628297 582183136 /nfs/dbraw/zinc/18/31/36/582183136.db2.gz FORBRTPNXMKCTK-SSDOTTSWSA-N 1 2 278.276 -1.384 20 0 CAADLO C[N@H+]1CCO[C@@H](C(=O)n2ncc(-c3nn[nH]n3)c2N)C1 ZINC000821628297 582183137 /nfs/dbraw/zinc/18/31/37/582183137.db2.gz FORBRTPNXMKCTK-SSDOTTSWSA-N 1 2 278.276 -1.384 20 0 CAADLO C[N@@H+]1CCC[C@@H](NC(=O)Cn2cnc(-c3nn[nH]n3)n2)C1 ZINC000821623221 582183176 /nfs/dbraw/zinc/18/31/76/582183176.db2.gz GRUAILXYRCXFNT-MRVPVSSYSA-N 1 2 291.319 -1.331 20 0 CAADLO C[N@H+]1CCC[C@@H](NC(=O)Cn2cnc(-c3nn[nH]n3)n2)C1 ZINC000821623221 582183177 /nfs/dbraw/zinc/18/31/77/582183177.db2.gz GRUAILXYRCXFNT-MRVPVSSYSA-N 1 2 291.319 -1.331 20 0 CAADLO CN1CC(C(=O)N2CCN(C(=O)C[NH+](C)C)CC2)=NC1=O ZINC000821727139 582183403 /nfs/dbraw/zinc/18/34/03/582183403.db2.gz AKVSFKDHIFDXEP-UHFFFAOYSA-N 1 2 295.343 -1.028 20 0 CAADLO Cn1c[nH+]c(/C=C/C(=O)N2CC(S(N)(=O)=O)C2)c1 ZINC000822806119 582184859 /nfs/dbraw/zinc/18/48/59/582184859.db2.gz WHNKFTXWJOQOMK-NSCUHMNNSA-N 1 2 270.314 -1.067 20 0 CAADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)CN1CCOC1=O ZINC000824981803 582187672 /nfs/dbraw/zinc/18/76/72/582187672.db2.gz BVMFDIVSFVFMRS-VIFPVBQESA-N 1 2 257.290 -1.115 20 0 CAADLO C[N@H+]1CCOC[C@@H]1CNC(=O)CN1CCOC1=O ZINC000824981803 582187673 /nfs/dbraw/zinc/18/76/73/582187673.db2.gz BVMFDIVSFVFMRS-VIFPVBQESA-N 1 2 257.290 -1.115 20 0 CAADLO C[N@@H+]1CCO[C@H](CS(=O)(=O)NCC2(C)OCCO2)C1 ZINC000867040229 582187693 /nfs/dbraw/zinc/18/76/93/582187693.db2.gz SYJNHHDXCQRTBW-JTQLQIEISA-N 1 2 294.373 -1.001 20 0 CAADLO C[N@H+]1CCO[C@H](CS(=O)(=O)NCC2(C)OCCO2)C1 ZINC000867040229 582187696 /nfs/dbraw/zinc/18/76/96/582187696.db2.gz SYJNHHDXCQRTBW-JTQLQIEISA-N 1 2 294.373 -1.001 20 0 CAADLO C[N@@H+]1CCO[C@@H](CS(=O)(=O)NCC2(C)OCCO2)C1 ZINC000867040230 582187740 /nfs/dbraw/zinc/18/77/40/582187740.db2.gz SYJNHHDXCQRTBW-SNVBAGLBSA-N 1 2 294.373 -1.001 20 0 CAADLO C[N@H+]1CCO[C@@H](CS(=O)(=O)NCC2(C)OCCO2)C1 ZINC000867040230 582187741 /nfs/dbraw/zinc/18/77/41/582187741.db2.gz SYJNHHDXCQRTBW-SNVBAGLBSA-N 1 2 294.373 -1.001 20 0 CAADLO NS(=O)(=O)N1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000825375286 582188695 /nfs/dbraw/zinc/18/86/95/582188695.db2.gz KVHZBTAUGUEXCS-UHFFFAOYSA-N 1 2 273.318 -1.700 20 0 CAADLO CN1C[C@@H](C(=O)N2CCC[N@H+](CC(N)=O)CC2)NC1=O ZINC000826075525 582189805 /nfs/dbraw/zinc/18/98/05/582189805.db2.gz WJTZVHSJOYDRHE-VIFPVBQESA-N 1 2 283.332 -1.970 20 0 CAADLO CN1C[C@@H](C(=O)N2CCC[N@@H+](CC(N)=O)CC2)NC1=O ZINC000826075525 582189806 /nfs/dbraw/zinc/18/98/06/582189806.db2.gz WJTZVHSJOYDRHE-VIFPVBQESA-N 1 2 283.332 -1.970 20 0 CAADLO C[C@@H]1OCCO[C@@H]1C(=O)N1CC[N@H+](C)C[C@H]1CO ZINC000826707251 582191556 /nfs/dbraw/zinc/19/15/56/582191556.db2.gz GXHMDLMTCZVCPN-DCAQKATOSA-N 1 2 258.318 -1.075 20 0 CAADLO C[C@@H]1OCCO[C@@H]1C(=O)N1CC[N@@H+](C)C[C@H]1CO ZINC000826707251 582191557 /nfs/dbraw/zinc/19/15/57/582191557.db2.gz GXHMDLMTCZVCPN-DCAQKATOSA-N 1 2 258.318 -1.075 20 0 CAADLO COC(=O)N(C)CCNC(=O)C(=O)NCCn1cc[nH+]c1 ZINC000826667131 582191620 /nfs/dbraw/zinc/19/16/20/582191620.db2.gz MPBAHYKETGMXJH-UHFFFAOYSA-N 1 2 297.315 -1.186 20 0 CAADLO CC(=O)N1CCO[C@H](C(=O)NC[C@H]2COCC[N@H+]2C)C1 ZINC000827422529 582192409 /nfs/dbraw/zinc/19/24/09/582192409.db2.gz DWTHMDCVSUZHFI-RYUDHWBXSA-N 1 2 285.344 -1.320 20 0 CAADLO CC(=O)N1CCO[C@H](C(=O)NC[C@H]2COCC[N@@H+]2C)C1 ZINC000827422529 582192410 /nfs/dbraw/zinc/19/24/10/582192410.db2.gz DWTHMDCVSUZHFI-RYUDHWBXSA-N 1 2 285.344 -1.320 20 0 CAADLO C[N@@H+]1CCOC[C@H]1CNC(=O)[C@@H]1CSCC(=O)N1 ZINC000827429404 582192420 /nfs/dbraw/zinc/19/24/20/582192420.db2.gz YJBGHPFOLGQRKQ-BDAKNGLRSA-N 1 2 273.358 -1.335 20 0 CAADLO C[N@H+]1CCOC[C@H]1CNC(=O)[C@@H]1CSCC(=O)N1 ZINC000827429404 582192422 /nfs/dbraw/zinc/19/24/22/582192422.db2.gz YJBGHPFOLGQRKQ-BDAKNGLRSA-N 1 2 273.358 -1.335 20 0 CAADLO CC[N@@H+]1CCOC[C@H]1C(=O)N1CC[C@@H](O)[C@@H](O)C1 ZINC000827591355 582193038 /nfs/dbraw/zinc/19/30/38/582193038.db2.gz RGUACUNVYXFCJC-AXFHLTTASA-N 1 2 258.318 -1.339 20 0 CAADLO CC[N@H+]1CCOC[C@H]1C(=O)N1CC[C@@H](O)[C@@H](O)C1 ZINC000827591355 582193039 /nfs/dbraw/zinc/19/30/39/582193039.db2.gz RGUACUNVYXFCJC-AXFHLTTASA-N 1 2 258.318 -1.339 20 0 CAADLO CC[N@@H+]1CCOC[C@@H]1C(=O)N1CC[C@@H](O)[C@@H](O)C1 ZINC000827591356 582193082 /nfs/dbraw/zinc/19/30/82/582193082.db2.gz RGUACUNVYXFCJC-MXWKQRLJSA-N 1 2 258.318 -1.339 20 0 CAADLO CC[N@H+]1CCOC[C@@H]1C(=O)N1CC[C@@H](O)[C@@H](O)C1 ZINC000827591356 582193083 /nfs/dbraw/zinc/19/30/83/582193083.db2.gz RGUACUNVYXFCJC-MXWKQRLJSA-N 1 2 258.318 -1.339 20 0 CAADLO C[N@@H+]1CCN(C(=O)[C@@H]2CSCC(=O)N2)C[C@H]1CO ZINC000827983743 582193870 /nfs/dbraw/zinc/19/38/70/582193870.db2.gz SSGFOCVPQWSRTD-IUCAKERBSA-N 1 2 273.358 -1.647 20 0 CAADLO C[N@H+]1CCN(C(=O)[C@@H]2CSCC(=O)N2)C[C@H]1CO ZINC000827983743 582193871 /nfs/dbraw/zinc/19/38/71/582193871.db2.gz SSGFOCVPQWSRTD-IUCAKERBSA-N 1 2 273.358 -1.647 20 0 CAADLO C[C@@H]1OCCO[C@@H]1C(=O)N1CC[N@H+](C)[C@H](CO)C1 ZINC000827983795 582193892 /nfs/dbraw/zinc/19/38/92/582193892.db2.gz ULFIUVOMFYLRBU-DCAQKATOSA-N 1 2 258.318 -1.075 20 0 CAADLO C[C@@H]1OCCO[C@@H]1C(=O)N1CC[N@@H+](C)[C@H](CO)C1 ZINC000827983795 582193893 /nfs/dbraw/zinc/19/38/93/582193893.db2.gz ULFIUVOMFYLRBU-DCAQKATOSA-N 1 2 258.318 -1.075 20 0 CAADLO CN1C(=O)CC[C@@H]1C(=O)N1CC[N@H+](C)[C@H](CO)C1 ZINC000827983979 582193895 /nfs/dbraw/zinc/19/38/95/582193895.db2.gz ZFHJOACEVUCBER-VHSXEESVSA-N 1 2 255.318 -1.258 20 0 CAADLO CN1C(=O)CC[C@@H]1C(=O)N1CC[N@@H+](C)[C@H](CO)C1 ZINC000827983979 582193896 /nfs/dbraw/zinc/19/38/96/582193896.db2.gz ZFHJOACEVUCBER-VHSXEESVSA-N 1 2 255.318 -1.258 20 0 CAADLO CC(=O)N1CCO[C@H](C(=O)N2CC[N@@H+](C)[C@H](CO)C2)C1 ZINC000827983791 582193931 /nfs/dbraw/zinc/19/39/31/582193931.db2.gz UJBFBOCLAZRAPO-RYUDHWBXSA-N 1 2 285.344 -1.631 20 0 CAADLO CC(=O)N1CCO[C@H](C(=O)N2CC[N@H+](C)[C@H](CO)C2)C1 ZINC000827983791 582193932 /nfs/dbraw/zinc/19/39/32/582193932.db2.gz UJBFBOCLAZRAPO-RYUDHWBXSA-N 1 2 285.344 -1.631 20 0 CAADLO C[NH+](C)CC(=O)N1CC[NH+](CCNC(=O)[O-])CC1 ZINC000828011232 582194137 /nfs/dbraw/zinc/19/41/37/582194137.db2.gz ZQDMTBZPZKTPII-UHFFFAOYSA-N 1 2 258.322 -1.040 20 0 CAADLO C[S@](=O)CC[NH+]1CCN(C(=O)[C@@H]2CC(=O)N2)CC1 ZINC000828530273 582195391 /nfs/dbraw/zinc/19/53/91/582195391.db2.gz ICMSRBGSQHYTTN-YYSFKGJASA-N 1 2 273.358 -1.602 20 0 CAADLO C[S@@](=O)CC[NH+]1CCN(C(=O)[C@@H]2CC(=O)N2)CC1 ZINC000828530272 582195432 /nfs/dbraw/zinc/19/54/32/582195432.db2.gz ICMSRBGSQHYTTN-NIVTXAMTSA-N 1 2 273.358 -1.602 20 0 CAADLO CN1C(=S)N=NC1CNC(=O)CN1CC[NH2+]CC1=O ZINC000828652950 582195794 /nfs/dbraw/zinc/19/57/94/582195794.db2.gz HFUUSPAERSZWGV-UHFFFAOYSA-N 1 2 284.345 -1.848 20 0 CAADLO CN1C(=S)N=NC1CCNC(=O)CN1CC[NH2+]CC1=O ZINC000828724703 582196102 /nfs/dbraw/zinc/19/61/02/582196102.db2.gz MMXVGPZQWFFEMF-UHFFFAOYSA-N 1 2 298.372 -1.806 20 0 CAADLO CCCOC(=O)CCNC(=O)CN1CC[NH2+]CC1=O ZINC000828884208 582196153 /nfs/dbraw/zinc/19/61/53/582196153.db2.gz ZWAIZNCNKQYGNZ-UHFFFAOYSA-N 1 2 271.317 -1.122 20 0 CAADLO Cn1cnn(CC(=O)Nc2cc3n(n2)CC[N@H+](C)C3)c1=O ZINC000829428414 582196693 /nfs/dbraw/zinc/19/66/93/582196693.db2.gz OJNNSGDNCBUSOT-UHFFFAOYSA-N 1 2 291.315 -1.138 20 0 CAADLO Cn1cnn(CC(=O)Nc2cc3n(n2)CC[N@@H+](C)C3)c1=O ZINC000829428414 582196695 /nfs/dbraw/zinc/19/66/95/582196695.db2.gz OJNNSGDNCBUSOT-UHFFFAOYSA-N 1 2 291.315 -1.138 20 0 CAADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@@H]1CCCN1C=O ZINC000829806706 582197371 /nfs/dbraw/zinc/19/73/71/582197371.db2.gz RXQFAVQRECWGJY-STQMWFEESA-N 1 2 299.371 -1.241 20 0 CAADLO COC(=O)C1(O)CN(C(=O)C(C)(C)[NH+]2CCOCC2)C1 ZINC000829964939 582197902 /nfs/dbraw/zinc/19/79/02/582197902.db2.gz RRGIFUPIAWNISM-UHFFFAOYSA-N 1 2 286.328 -1.157 20 0 CAADLO COC(=O)C1(O)CN(C(=O)C2([NH+]3CCOCC3)CCC2)C1 ZINC000829961692 582197909 /nfs/dbraw/zinc/19/79/09/582197909.db2.gz ZBOVDTRSYZGFFE-UHFFFAOYSA-N 1 2 298.339 -1.012 20 0 CAADLO CN1CCN(C(=O)c2n[nH]c3c2C[NH2+]CC3)CC1=O ZINC000830259168 582198664 /nfs/dbraw/zinc/19/86/64/582198664.db2.gz ZSQKIGKIBHSBAY-UHFFFAOYSA-N 1 2 263.301 -1.030 20 0 CAADLO COC(=O)C[C@H](NC(=O)CN1CC[NH2+]CC1=O)C1CC1 ZINC000831147312 582200567 /nfs/dbraw/zinc/20/05/67/582200567.db2.gz ZCTSKZFRJHGQFH-JTQLQIEISA-N 1 2 283.328 -1.124 20 0 CAADLO COC(=O)C[C@@H](NC(=O)CN1CC[NH2+]CC1=O)C1CC1 ZINC000831147313 582200593 /nfs/dbraw/zinc/20/05/93/582200593.db2.gz ZCTSKZFRJHGQFH-SNVBAGLBSA-N 1 2 283.328 -1.124 20 0 CAADLO CONC(=O)CNC(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000832762521 582205245 /nfs/dbraw/zinc/20/52/45/582205245.db2.gz WCRXLQBNXKTXOG-VIFPVBQESA-N 1 2 256.306 -1.830 20 0 CAADLO CONC(=O)CNC(=O)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000832762521 582205246 /nfs/dbraw/zinc/20/52/46/582205246.db2.gz WCRXLQBNXKTXOG-VIFPVBQESA-N 1 2 256.306 -1.830 20 0 CAADLO C[N@@H+]1CC[C@](O)(CNS(=O)(=O)N=S(C)(C)=O)C1 ZINC000867108409 582209982 /nfs/dbraw/zinc/20/99/82/582209982.db2.gz PLTJCQOKFDMYMZ-QMMMGPOBSA-N 1 2 285.391 -1.385 20 0 CAADLO C[N@H+]1CC[C@](O)(CNS(=O)(=O)N=S(C)(C)=O)C1 ZINC000867108409 582209983 /nfs/dbraw/zinc/20/99/83/582209983.db2.gz PLTJCQOKFDMYMZ-QMMMGPOBSA-N 1 2 285.391 -1.385 20 0 CAADLO CCOC(=O)[C@H](CO)NC(=O)/C=C/C[NH+]1CCOCC1 ZINC000867126227 582211645 /nfs/dbraw/zinc/21/16/45/582211645.db2.gz CRHUOLQURLGAAY-UFFNRZRYSA-N 1 2 286.328 -1.085 20 0 CAADLO O=C(/C=C\C[NH+]1CCOCC1)NCC(=O)N1CCOCC1 ZINC000867236319 582211995 /nfs/dbraw/zinc/21/19/95/582211995.db2.gz NKSOFEHUAUKFAF-UPHRSURJSA-N 1 2 297.355 -1.150 20 0 CAADLO CN1C[C@H](NC(=O)/C=C\C[NH+]2CCOCC2)C(=O)N1 ZINC000867213918 582212010 /nfs/dbraw/zinc/21/20/10/582212010.db2.gz CSFFZEZELLJXHS-ZMWSMAPVSA-N 1 2 268.317 -1.664 20 0 CAADLO CN1C[C@@H](NC(=O)/C=C\C[NH+]2CCOCC2)C(=O)N1 ZINC000867213822 582212032 /nfs/dbraw/zinc/21/20/32/582212032.db2.gz CSFFZEZELLJXHS-MXQLGCADSA-N 1 2 268.317 -1.664 20 0 CAADLO O=C(/C=C/C[NH+]1CCOCC1)NCC(=O)N1CCOCC1 ZINC000867236298 582212035 /nfs/dbraw/zinc/21/20/35/582212035.db2.gz NKSOFEHUAUKFAF-OWOJBTEDSA-N 1 2 297.355 -1.150 20 0 CAADLO O=C(/C=C/C[NH+]1CCOCC1)N[C@@H]1CNC(=O)C1 ZINC000867251030 582212202 /nfs/dbraw/zinc/21/22/02/582212202.db2.gz PTHQAHJKIHHBJH-YOLVWIGZSA-N 1 2 253.302 -1.121 20 0 CAADLO O=C(/C=C\C[NH+]1CCOCC1)N[C@H]1CNC(=O)C1 ZINC000867251027 582212205 /nfs/dbraw/zinc/21/22/05/582212205.db2.gz PTHQAHJKIHHBJH-JWXWKVPASA-N 1 2 253.302 -1.121 20 0 CAADLO Cn1ncc(CNS(=O)(=O)C[C@H]2C[N@H+](C)CCO2)n1 ZINC000867267496 582212315 /nfs/dbraw/zinc/21/23/15/582212315.db2.gz RDOJJXGKJKTGPL-SNVBAGLBSA-N 1 2 289.361 -1.435 20 0 CAADLO Cn1ncc(CNS(=O)(=O)C[C@H]2C[N@@H+](C)CCO2)n1 ZINC000867267496 582212316 /nfs/dbraw/zinc/21/23/16/582212316.db2.gz RDOJJXGKJKTGPL-SNVBAGLBSA-N 1 2 289.361 -1.435 20 0 CAADLO C[N@@H+]1CCO[C@H](CS(=O)(=O)N[C@@]2(C)CCOC2=O)C1 ZINC000867283539 582212530 /nfs/dbraw/zinc/21/25/30/582212530.db2.gz JOIKSNQJGHYMJQ-ONGXEEELSA-N 1 2 292.357 -1.058 20 0 CAADLO C[N@H+]1CCO[C@H](CS(=O)(=O)N[C@@]2(C)CCOC2=O)C1 ZINC000867283539 582212532 /nfs/dbraw/zinc/21/25/32/582212532.db2.gz JOIKSNQJGHYMJQ-ONGXEEELSA-N 1 2 292.357 -1.058 20 0 CAADLO O=C1C[C@H](NS(=O)(=O)CCC[NH+]2CCOCC2)CO1 ZINC000867287633 582212558 /nfs/dbraw/zinc/21/25/58/582212558.db2.gz JALUHKYYEONFKH-JTQLQIEISA-N 1 2 292.357 -1.056 20 0 CAADLO C[N@@H+]1CCO[C@@H](CS(=O)(=O)N[C@@H]2COC(=O)C2)C1 ZINC000867287514 582212588 /nfs/dbraw/zinc/21/25/88/582212588.db2.gz UJQLPVMQIPVWSC-DTWKUNHWSA-N 1 2 278.330 -1.448 20 0 CAADLO C[N@H+]1CCO[C@@H](CS(=O)(=O)N[C@@H]2COC(=O)C2)C1 ZINC000867287514 582212589 /nfs/dbraw/zinc/21/25/89/582212589.db2.gz UJQLPVMQIPVWSC-DTWKUNHWSA-N 1 2 278.330 -1.448 20 0 CAADLO C[N@@H+]1CCO[C@@H](CS(=O)(=O)N[C@@]2(C)CCOC2=O)C1 ZINC000867283535 582212616 /nfs/dbraw/zinc/21/26/16/582212616.db2.gz JOIKSNQJGHYMJQ-KOLCDFICSA-N 1 2 292.357 -1.058 20 0 CAADLO C[N@H+]1CCO[C@@H](CS(=O)(=O)N[C@@]2(C)CCOC2=O)C1 ZINC000867283535 582212617 /nfs/dbraw/zinc/21/26/17/582212617.db2.gz JOIKSNQJGHYMJQ-KOLCDFICSA-N 1 2 292.357 -1.058 20 0 CAADLO COC[C@@]1(C)NC(=O)N(C[N@H+](C)CCNC(C)=O)C1=O ZINC000842635523 582212927 /nfs/dbraw/zinc/21/29/27/582212927.db2.gz OCBIBKFLKRNFAO-GFCCVEGCSA-N 1 2 286.332 -1.031 20 0 CAADLO COC[C@@]1(C)NC(=O)N(C[N@@H+](C)CCNC(C)=O)C1=O ZINC000842635523 582212928 /nfs/dbraw/zinc/21/29/28/582212928.db2.gz OCBIBKFLKRNFAO-GFCCVEGCSA-N 1 2 286.332 -1.031 20 0 CAADLO O=C(CN1CC[NH2+]CC1=O)N1CC[C@@H]2COC(=O)N[C@H]2C1 ZINC000842514955 582212941 /nfs/dbraw/zinc/21/29/41/582212941.db2.gz KHJIYTQGBPRLAE-ZJUUUORDSA-N 1 2 296.327 -1.625 20 0 CAADLO CCN(OC)C(=O)C[NH2+]Cc1cn(CC(=O)OC)nn1 ZINC000842769361 582213205 /nfs/dbraw/zinc/21/32/05/582213205.db2.gz NWSVMFJUXRTQLE-UHFFFAOYSA-N 1 2 285.304 -1.049 20 0 CAADLO CNC(=O)[C@H]1CN(C(=O)/C=C\C[NH+]2CCOCC2)CCO1 ZINC000867315609 582213414 /nfs/dbraw/zinc/21/34/14/582213414.db2.gz KSSVQFHZPCYAJM-ZZKXABKFSA-N 1 2 297.355 -1.152 20 0 CAADLO CNC(=O)[C@H]1CN(C(=O)/C=C/C[NH+]2CCOCC2)CCO1 ZINC000867315608 582213457 /nfs/dbraw/zinc/21/34/57/582213457.db2.gz KSSVQFHZPCYAJM-QAVQXKDTSA-N 1 2 297.355 -1.152 20 0 CAADLO CNC(=O)[C@@H]1CN(C(=O)/C=C\C[NH+]2CCOCC2)CCO1 ZINC000867315606 582213463 /nfs/dbraw/zinc/21/34/63/582213463.db2.gz KSSVQFHZPCYAJM-DLGQBQFBSA-N 1 2 297.355 -1.152 20 0 CAADLO COCCS(=O)(=O)CC(=O)NCC(F)(F)C[NH3+] ZINC000843460791 582214464 /nfs/dbraw/zinc/21/44/64/582214464.db2.gz FDQCSZXXCRAVFU-UHFFFAOYSA-N 1 2 274.289 -1.242 20 0 CAADLO COC(=O)NCCNS(=O)(=O)C[C@@H]1C[N@H+](C)CCO1 ZINC000867367456 582217113 /nfs/dbraw/zinc/21/71/13/582217113.db2.gz DMHWONMMZVBQJA-VIFPVBQESA-N 1 2 295.361 -1.408 20 0 CAADLO COC(=O)NCCNS(=O)(=O)C[C@@H]1C[N@@H+](C)CCO1 ZINC000867367456 582217115 /nfs/dbraw/zinc/21/71/15/582217115.db2.gz DMHWONMMZVBQJA-VIFPVBQESA-N 1 2 295.361 -1.408 20 0 CAADLO COC(=O)NCCNS(=O)(=O)C[C@H]1C[N@H+](C)CCO1 ZINC000867367455 582217185 /nfs/dbraw/zinc/21/71/85/582217185.db2.gz DMHWONMMZVBQJA-SECBINFHSA-N 1 2 295.361 -1.408 20 0 CAADLO COC(=O)NCCNS(=O)(=O)C[C@H]1C[N@@H+](C)CCO1 ZINC000867367455 582217186 /nfs/dbraw/zinc/21/71/86/582217186.db2.gz DMHWONMMZVBQJA-SECBINFHSA-N 1 2 295.361 -1.408 20 0 CAADLO O=C([C@@H](O)c1c[nH+]c[nH]1)N1CCN2CCOC[C@@H]2C1 ZINC000867381783 582217726 /nfs/dbraw/zinc/21/77/26/582217726.db2.gz HNQKOQTZFZGSSS-ONGXEEELSA-N 1 2 266.301 -1.014 20 0 CAADLO C[C@H]1C[N@H+](CCOC(=O)[C@@H]2CCS(=O)(=O)N2)CCO1 ZINC000845375411 582218019 /nfs/dbraw/zinc/21/80/19/582218019.db2.gz HXGWGUATDZABDS-UWVGGRQHSA-N 1 2 292.357 -1.058 20 0 CAADLO C[C@H]1C[N@@H+](CCOC(=O)[C@@H]2CCS(=O)(=O)N2)CCO1 ZINC000845375411 582218020 /nfs/dbraw/zinc/21/80/20/582218020.db2.gz HXGWGUATDZABDS-UWVGGRQHSA-N 1 2 292.357 -1.058 20 0 CAADLO C[C@@H](C[NH+]1CCOCC1)OC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC000845375477 582218100 /nfs/dbraw/zinc/21/81/00/582218100.db2.gz LECXFTJZDYXQTO-UWVGGRQHSA-N 1 2 292.357 -1.058 20 0 CAADLO C[C@H]1C[N@H+](CCOC(=O)[C@H]2CCS(=O)(=O)N2)CCO1 ZINC000845375413 582218105 /nfs/dbraw/zinc/21/81/05/582218105.db2.gz HXGWGUATDZABDS-VHSXEESVSA-N 1 2 292.357 -1.058 20 0 CAADLO C[C@H]1C[N@@H+](CCOC(=O)[C@H]2CCS(=O)(=O)N2)CCO1 ZINC000845375413 582218107 /nfs/dbraw/zinc/21/81/07/582218107.db2.gz HXGWGUATDZABDS-VHSXEESVSA-N 1 2 292.357 -1.058 20 0 CAADLO C[C@H](C[NH+]1CCOCC1)OC(=O)[C@H]1CCS(=O)(=O)N1 ZINC000845375476 582218163 /nfs/dbraw/zinc/21/81/63/582218163.db2.gz LECXFTJZDYXQTO-NXEZZACHSA-N 1 2 292.357 -1.058 20 0 CAADLO COC(=O)[C@@H](F)CNS(=O)(=O)C[C@@H]1C[N@H+](C)CCO1 ZINC000867385629 582218437 /nfs/dbraw/zinc/21/84/37/582218437.db2.gz LSFJAZOKNJDGAG-IUCAKERBSA-N 1 2 298.336 -1.253 20 0 CAADLO COC(=O)[C@@H](F)CNS(=O)(=O)C[C@@H]1C[N@@H+](C)CCO1 ZINC000867385629 582218438 /nfs/dbraw/zinc/21/84/38/582218438.db2.gz LSFJAZOKNJDGAG-IUCAKERBSA-N 1 2 298.336 -1.253 20 0 CAADLO CCONC(=O)CNC(=O)N1CC[NH+](C[C@H](C)O)CC1 ZINC000845536429 582218823 /nfs/dbraw/zinc/21/88/23/582218823.db2.gz ZKFSAZOJZSXWGX-JTQLQIEISA-N 1 2 288.348 -1.238 20 0 CAADLO CCONC(=O)CNC(=O)NCCOCC[NH+](C)C ZINC000845539290 582219013 /nfs/dbraw/zinc/21/90/13/582219013.db2.gz VJZSXCXXVCBWGZ-UHFFFAOYSA-N 1 2 276.337 -1.069 20 0 CAADLO CCONC(=O)CNC(=O)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000845540764 582219142 /nfs/dbraw/zinc/21/91/42/582219142.db2.gz OYHBLBYJZUBFJN-NSHDSACASA-N 1 2 274.321 -1.580 20 0 CAADLO CCONC(=O)CNC(=O)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000845540764 582219143 /nfs/dbraw/zinc/21/91/43/582219143.db2.gz OYHBLBYJZUBFJN-NSHDSACASA-N 1 2 274.321 -1.580 20 0 CAADLO NC(=O)c1ncn(CC(=O)O[C@H]2CC[N@H+](CCF)C2)n1 ZINC000845544525 582219304 /nfs/dbraw/zinc/21/93/04/582219304.db2.gz RELDAVCHVQITNO-QMMMGPOBSA-N 1 2 285.279 -1.036 20 0 CAADLO NC(=O)c1ncn(CC(=O)O[C@H]2CC[N@@H+](CCF)C2)n1 ZINC000845544525 582219306 /nfs/dbraw/zinc/21/93/06/582219306.db2.gz RELDAVCHVQITNO-QMMMGPOBSA-N 1 2 285.279 -1.036 20 0 CAADLO C[N@@H+]1CCO[C@@H](CS(=O)(=O)NC[C@@H]2COCO2)C1 ZINC000867395576 582219787 /nfs/dbraw/zinc/21/97/87/582219787.db2.gz MTWAMAKUHYZWMG-NXEZZACHSA-N 1 2 280.346 -1.391 20 0 CAADLO C[N@H+]1CCO[C@@H](CS(=O)(=O)NC[C@@H]2COCO2)C1 ZINC000867395576 582219788 /nfs/dbraw/zinc/21/97/88/582219788.db2.gz MTWAMAKUHYZWMG-NXEZZACHSA-N 1 2 280.346 -1.391 20 0 CAADLO C[N@@H+]1CCO[C@H](CS(=O)(=O)NC[C@@H]2COCO2)C1 ZINC000867395579 582219829 /nfs/dbraw/zinc/21/98/29/582219829.db2.gz MTWAMAKUHYZWMG-ZJUUUORDSA-N 1 2 280.346 -1.391 20 0 CAADLO C[N@H+]1CCO[C@H](CS(=O)(=O)NC[C@@H]2COCO2)C1 ZINC000867395579 582219830 /nfs/dbraw/zinc/21/98/30/582219830.db2.gz MTWAMAKUHYZWMG-ZJUUUORDSA-N 1 2 280.346 -1.391 20 0 CAADLO CON(C)C(=O)CNS(=O)(=O)C[C@@H]1C[N@H+](C)CCO1 ZINC000867421156 582221521 /nfs/dbraw/zinc/22/15/21/582221521.db2.gz PNIDIGSMNCGDCN-VIFPVBQESA-N 1 2 295.361 -1.744 20 0 CAADLO CON(C)C(=O)CNS(=O)(=O)C[C@@H]1C[N@@H+](C)CCO1 ZINC000867421156 582221522 /nfs/dbraw/zinc/22/15/22/582221522.db2.gz PNIDIGSMNCGDCN-VIFPVBQESA-N 1 2 295.361 -1.744 20 0 CAADLO COC(=O)[C@](C)(O)CNC(=O)/C=C/C[NH+]1CCOCC1 ZINC000867416706 582221545 /nfs/dbraw/zinc/22/15/45/582221545.db2.gz GLJYJPXZQYOEMP-ITDFMYJTSA-N 1 2 286.328 -1.085 20 0 CAADLO CCONC(=O)CNC(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000846494054 582221736 /nfs/dbraw/zinc/22/17/36/582221736.db2.gz NGWVFTBGYJHIAC-SNVBAGLBSA-N 1 2 270.333 -1.440 20 0 CAADLO CCONC(=O)CNC(=O)[C@H]1C[N@H+]2CCN1CCC2 ZINC000846494054 582221737 /nfs/dbraw/zinc/22/17/37/582221737.db2.gz NGWVFTBGYJHIAC-SNVBAGLBSA-N 1 2 270.333 -1.440 20 0 CAADLO CCN1C[C@@H](C[N@@H+]2CCN3C(=O)C(=O)NC[C@H]3C2)OC1=O ZINC000846816327 582223402 /nfs/dbraw/zinc/22/34/02/582223402.db2.gz FPBRJBMJTYQJPJ-VHSXEESVSA-N 1 2 296.327 -1.530 20 0 CAADLO CCN1C[C@@H](C[N@H+]2CCN3C(=O)C(=O)NC[C@H]3C2)OC1=O ZINC000846816327 582223404 /nfs/dbraw/zinc/22/34/04/582223404.db2.gz FPBRJBMJTYQJPJ-VHSXEESVSA-N 1 2 296.327 -1.530 20 0 CAADLO CCN1C[C@@H](C[N@@H+]2CCN3C(=O)C(=O)NC[C@@H]3C2)OC1=O ZINC000846816321 582223501 /nfs/dbraw/zinc/22/35/01/582223501.db2.gz FPBRJBMJTYQJPJ-NXEZZACHSA-N 1 2 296.327 -1.530 20 0 CAADLO CCN1C[C@@H](C[N@H+]2CCN3C(=O)C(=O)NC[C@@H]3C2)OC1=O ZINC000846816321 582223503 /nfs/dbraw/zinc/22/35/03/582223503.db2.gz FPBRJBMJTYQJPJ-NXEZZACHSA-N 1 2 296.327 -1.530 20 0 CAADLO Cc1nonc1CC(=O)N[C@H](CO)C[NH+]1CCOCC1 ZINC000847136902 582223711 /nfs/dbraw/zinc/22/37/11/582223711.db2.gz AOHQGFOJUSWROH-JTQLQIEISA-N 1 2 284.316 -1.270 20 0 CAADLO COC(=O)CCNC(=O)C[NH+]1CCN(OC)CC1 ZINC000846981106 582223723 /nfs/dbraw/zinc/22/37/23/582223723.db2.gz GBBJZXOXNXJTTB-UHFFFAOYSA-N 1 2 259.306 -1.155 20 0 CAADLO COC(=O)CNC(=O)[C@H](C)[NH+]1CCN(OC)CC1 ZINC000846980870 582223736 /nfs/dbraw/zinc/22/37/36/582223736.db2.gz YXQZLGHXKIWQMY-VIFPVBQESA-N 1 2 259.306 -1.157 20 0 CAADLO CON1CC[NH+](Cc2cc(=O)n(C)c(=O)n2C)CC1 ZINC000846977955 582223738 /nfs/dbraw/zinc/22/37/38/582223738.db2.gz VYJCBESIUSRQFX-UHFFFAOYSA-N 1 2 268.317 -1.237 20 0 CAADLO O=C(Cc1[nH]cc[nH+]1)N[C@H](CO)CN1CCOCC1 ZINC000847136961 582223748 /nfs/dbraw/zinc/22/37/48/582223748.db2.gz BBWNEZFYKDCDGT-JTQLQIEISA-N 1 2 268.317 -1.239 20 0 CAADLO COC/C=C/C(=O)N[C@H](CO)C[NH+]1CCOCC1 ZINC000847137419 582223757 /nfs/dbraw/zinc/22/37/57/582223757.db2.gz BVSKMZUENURFJL-VUDBWIFFSA-N 1 2 258.318 -1.002 20 0 CAADLO CC[C@H](CO)C(=O)N[C@@H](CO)C[NH+]1CCOCC1 ZINC000847142241 582223847 /nfs/dbraw/zinc/22/38/47/582223847.db2.gz YAALERMJLYMKTH-GHMZBOCLSA-N 1 2 260.334 -1.186 20 0 CAADLO CC1=NO[C@H](C(=O)N[C@H](CO)C[NH+]2CCOCC2)C1 ZINC000847140534 582223851 /nfs/dbraw/zinc/22/38/51/582223851.db2.gz PWTIDLFHKRBNRW-QWRGUYRKSA-N 1 2 271.317 -1.040 20 0 CAADLO Cn1cc([C@H](O)C(=O)N[C@@H](CO)C[NH+]2CCOCC2)cn1 ZINC000847139863 582223945 /nfs/dbraw/zinc/22/39/45/582223945.db2.gz MJCIZHKXDWHEKG-NEPJUHHUSA-N 1 2 298.343 -1.737 20 0 CAADLO Cn1cc([C@@H](O)C(=O)N[C@@H](CO)C[NH+]2CCOCC2)cn1 ZINC000847139868 582223960 /nfs/dbraw/zinc/22/39/60/582223960.db2.gz MJCIZHKXDWHEKG-VXGBXAGGSA-N 1 2 298.343 -1.737 20 0 CAADLO Cn1cc([C@@H](O)C(=O)N[C@H](CO)C[NH+]2CCOCC2)cn1 ZINC000847139865 582223990 /nfs/dbraw/zinc/22/39/90/582223990.db2.gz MJCIZHKXDWHEKG-NWDGAFQWSA-N 1 2 298.343 -1.737 20 0 CAADLO O=C(N[C@@H](CO)C[NH+]1CCOCC1)[C@H](O)c1ccccn1 ZINC000847142212 582223998 /nfs/dbraw/zinc/22/39/98/582223998.db2.gz XOZMRQYXYNZVQW-DGCLKSJQSA-N 1 2 295.339 -1.076 20 0 CAADLO O=CN1CCC[C@@H]1C(=O)N[C@@H](CO)C[NH+]1CCOCC1 ZINC000847142163 582224023 /nfs/dbraw/zinc/22/40/23/582224023.db2.gz VYCPRPYOXQLZOQ-VXGBXAGGSA-N 1 2 285.344 -1.584 20 0 CAADLO CC1=NO[C@@H](C(=O)N[C@@H](CO)C[NH+]2CCOCC2)C1 ZINC000847140529 582224027 /nfs/dbraw/zinc/22/40/27/582224027.db2.gz PWTIDLFHKRBNRW-GHMZBOCLSA-N 1 2 271.317 -1.040 20 0 CAADLO O=C1C[C@@H]([N@@H+]2CC[C@H](N3CCOC3=O)C2)C(=O)N1 ZINC000849181080 582227372 /nfs/dbraw/zinc/22/73/72/582227372.db2.gz HIVDKLAOCCAJQG-JGVFFNPUSA-N 1 2 253.258 -1.072 20 0 CAADLO O=C1C[C@@H]([N@H+]2CC[C@H](N3CCOC3=O)C2)C(=O)N1 ZINC000849181080 582227373 /nfs/dbraw/zinc/22/73/73/582227373.db2.gz HIVDKLAOCCAJQG-JGVFFNPUSA-N 1 2 253.258 -1.072 20 0 CAADLO O=C1NCC[C@@H]1NC(=S)NCC[NH+]1CCOCC1 ZINC000849267553 582227603 /nfs/dbraw/zinc/22/76/03/582227603.db2.gz ZOHIGRQWMMDXMD-VIFPVBQESA-N 1 2 272.374 -1.329 20 0 CAADLO NC(=O)CNC(=S)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000849290066 582227625 /nfs/dbraw/zinc/22/76/25/582227625.db2.gz WBEMFMBNFZCYBZ-SECBINFHSA-N 1 2 272.374 -1.247 20 0 CAADLO CCN1OC[C@H]([NH+]2CCC(C(=O)NCCO)CC2)C1=O ZINC000851734776 582229520 /nfs/dbraw/zinc/22/95/20/582229520.db2.gz NBSYDNFDXJWMSK-NSHDSACASA-N 1 2 285.344 -1.031 20 0 CAADLO C[N@H+](CC(N)=O)C[C@@](O)(C(N)=O)c1ccccc1 ZINC000851726182 582229600 /nfs/dbraw/zinc/22/96/00/582229600.db2.gz MMCOZCHGBAPYQF-LBPRGKRZSA-N 1 2 251.286 -1.223 20 0 CAADLO C[N@@H+](CC(N)=O)C[C@@](O)(C(N)=O)c1ccccc1 ZINC000851726182 582229601 /nfs/dbraw/zinc/22/96/01/582229601.db2.gz MMCOZCHGBAPYQF-LBPRGKRZSA-N 1 2 251.286 -1.223 20 0 CAADLO COC(=O)CCN1CC[C@@H]([N@@H+]2CCCNC(=O)C2)C1=O ZINC000851747645 582229716 /nfs/dbraw/zinc/22/97/16/582229716.db2.gz HXALBJZEFFJBOS-SNVBAGLBSA-N 1 2 283.328 -1.028 20 0 CAADLO COC(=O)CCN1CC[C@@H]([N@H+]2CCCNC(=O)C2)C1=O ZINC000851747645 582229717 /nfs/dbraw/zinc/22/97/17/582229717.db2.gz HXALBJZEFFJBOS-SNVBAGLBSA-N 1 2 283.328 -1.028 20 0 CAADLO COC[C@@H](C[NH+]1CCN(S(N)(=O)=O)CC1)OC ZINC000851766464 582229724 /nfs/dbraw/zinc/22/97/24/582229724.db2.gz DDZNUFDIGFUAJZ-SECBINFHSA-N 1 2 267.351 -1.531 20 0 CAADLO O=C1NC[C@H]2C[N@H+](CCOC(F)F)CCN2C1=O ZINC000851811946 582229767 /nfs/dbraw/zinc/22/97/67/582229767.db2.gz BGWWMSQPVQFLMK-ZETCQYMHSA-N 1 2 263.244 -1.132 20 0 CAADLO O=C1NC[C@H]2C[N@@H+](CCOC(F)F)CCN2C1=O ZINC000851811946 582229768 /nfs/dbraw/zinc/22/97/68/582229768.db2.gz BGWWMSQPVQFLMK-ZETCQYMHSA-N 1 2 263.244 -1.132 20 0 CAADLO NS(=O)(=O)N1CC[NH+](C[C@@H](O)c2ccccn2)CC1 ZINC000851766352 582229778 /nfs/dbraw/zinc/22/97/78/582229778.db2.gz AETMHFKFXQFGAQ-LLVKDONJSA-N 1 2 286.357 -1.064 20 0 CAADLO NS(=O)(=O)CC[NH+]1CCN(Cc2cnon2)CC1 ZINC000851850809 582229963 /nfs/dbraw/zinc/22/99/63/582229963.db2.gz WVFFUUOPEPXKLK-UHFFFAOYSA-N 1 2 275.334 -1.524 20 0 CAADLO COC[C@@H](C(N)=O)[N@H+](C)C[C@](O)(C(N)=O)c1ccccc1 ZINC000852089034 582230020 /nfs/dbraw/zinc/23/00/20/582230020.db2.gz BSDWLFTWMBGWKJ-SMDDNHRTSA-N 1 2 295.339 -1.208 20 0 CAADLO COC[C@@H](C(N)=O)[N@@H+](C)C[C@](O)(C(N)=O)c1ccccc1 ZINC000852089034 582230021 /nfs/dbraw/zinc/23/00/21/582230021.db2.gz BSDWLFTWMBGWKJ-SMDDNHRTSA-N 1 2 295.339 -1.208 20 0 CAADLO CNC(=O)NC(=O)C[N@@H+]1CC[C@H](N2CCOC2=O)C1 ZINC000852431082 582230420 /nfs/dbraw/zinc/23/04/20/582230420.db2.gz PIJRWOZSSKFYQM-QMMMGPOBSA-N 1 2 270.289 -1.032 20 0 CAADLO CNC(=O)NC(=O)C[N@H+]1CC[C@H](N2CCOC2=O)C1 ZINC000852431082 582230422 /nfs/dbraw/zinc/23/04/22/582230422.db2.gz PIJRWOZSSKFYQM-QMMMGPOBSA-N 1 2 270.289 -1.032 20 0 CAADLO O=C(CN1CC[NH2+]CC1=O)N1CCC2=C(CCC(=O)N2)C1 ZINC000852837323 582231015 /nfs/dbraw/zinc/23/10/15/582231015.db2.gz HKQBQQWHYWRMJI-UHFFFAOYSA-N 1 2 292.339 -1.185 20 0 CAADLO [NH3+]C[C@H]1CC(C(=O)N2CCc3[nH]nnc3C2)=NO1 ZINC000852885047 582232031 /nfs/dbraw/zinc/23/20/31/582232031.db2.gz RTWKIYUJQHCITQ-ZCFIWIBFSA-N 1 2 250.262 -1.207 20 0 CAADLO CN1C(=O)C(=O)N(C[N@H+](C)C[C@@H]2COCCO2)C1=O ZINC000853557635 582233288 /nfs/dbraw/zinc/23/32/88/582233288.db2.gz AHCSJDQSRFVATA-MRVPVSSYSA-N 1 2 271.273 -1.288 20 0 CAADLO CN1C(=O)C(=O)N(C[N@@H+](C)C[C@@H]2COCCO2)C1=O ZINC000853557635 582233289 /nfs/dbraw/zinc/23/32/89/582233289.db2.gz AHCSJDQSRFVATA-MRVPVSSYSA-N 1 2 271.273 -1.288 20 0 CAADLO CO[C@@H]1CS(=O)(=O)[C@H]2C[N@H+](Cn3cnnc3)C[C@H]21 ZINC000853570424 582233318 /nfs/dbraw/zinc/23/33/18/582233318.db2.gz OMIKMDHTDPTCKH-AEJSXWLSSA-N 1 2 272.330 -1.021 20 0 CAADLO CO[C@@H]1CS(=O)(=O)[C@H]2C[N@@H+](Cn3cnnc3)C[C@H]21 ZINC000853570424 582233319 /nfs/dbraw/zinc/23/33/19/582233319.db2.gz OMIKMDHTDPTCKH-AEJSXWLSSA-N 1 2 272.330 -1.021 20 0 CAADLO C[C@@H]1C[N@H+](CCNC(=O)N[C@H]2CCNC2=O)CCO1 ZINC000853606392 582233445 /nfs/dbraw/zinc/23/34/45/582233445.db2.gz QGUALUIKSIJCSZ-ZJUUUORDSA-N 1 2 270.333 -1.105 20 0 CAADLO C[C@@H]1C[N@@H+](CCNC(=O)N[C@H]2CCNC2=O)CCO1 ZINC000853606392 582233447 /nfs/dbraw/zinc/23/34/47/582233447.db2.gz QGUALUIKSIJCSZ-ZJUUUORDSA-N 1 2 270.333 -1.105 20 0 CAADLO CN(C)C(=O)C[NH+]1CCN(C(=O)C[C@@H]2CCC(=O)N2)CC1 ZINC000854258832 582233765 /nfs/dbraw/zinc/23/37/65/582233765.db2.gz IXYYOZOXEIPRIA-NSHDSACASA-N 1 2 296.371 -1.113 20 0 CAADLO CC1=C(C(=O)N[C@@H](CO)C[NH+](C)C)S(=O)(=O)CCO1 ZINC000854466898 582234272 /nfs/dbraw/zinc/23/42/72/582234272.db2.gz NOWJTXOPHXMGPH-SECBINFHSA-N 1 2 292.357 -1.298 20 0 CAADLO CC1=C(C(=O)N[C@H](CO)C[NH+](C)C)S(=O)(=O)CCO1 ZINC000854466899 582234306 /nfs/dbraw/zinc/23/43/06/582234306.db2.gz NOWJTXOPHXMGPH-VIFPVBQESA-N 1 2 292.357 -1.298 20 0 CAADLO C[NH+](C)CCO[N-]C(=O)C[N@H+](C)[C@H]1CCS(=O)(=O)C1 ZINC000854945242 582236985 /nfs/dbraw/zinc/23/69/85/582236985.db2.gz LFXRVITVYLJEIP-JTQLQIEISA-N 1 2 293.389 -1.285 20 0 CAADLO C[NH+](C)CCO[N-]C(=O)C[N@@H+](C)[C@H]1CCS(=O)(=O)C1 ZINC000854945242 582236986 /nfs/dbraw/zinc/23/69/86/582236986.db2.gz LFXRVITVYLJEIP-JTQLQIEISA-N 1 2 293.389 -1.285 20 0 CAADLO CN(CC(=O)NOCC[NH+](C)C)[C@H]1CCS(=O)(=O)C1 ZINC000854945242 582236987 /nfs/dbraw/zinc/23/69/87/582236987.db2.gz LFXRVITVYLJEIP-JTQLQIEISA-N 1 2 293.389 -1.285 20 0 CAADLO CNS(=O)(=O)CC[N@H+](CCCO)CC(OC)OC ZINC000856734144 582238440 /nfs/dbraw/zinc/23/84/40/582238440.db2.gz MNJWXWXJQVOAGG-UHFFFAOYSA-N 1 2 284.378 -1.161 20 0 CAADLO CNS(=O)(=O)CC[N@@H+](CCCO)CC(OC)OC ZINC000856734144 582238441 /nfs/dbraw/zinc/23/84/41/582238441.db2.gz MNJWXWXJQVOAGG-UHFFFAOYSA-N 1 2 284.378 -1.161 20 0 CAADLO COC(=O)CN(CC[NH+]1CCOCC1)CN1CCC1=O ZINC000857234730 582238790 /nfs/dbraw/zinc/23/87/90/582238790.db2.gz MPGKWRAEBUWVEX-UHFFFAOYSA-N 1 2 285.344 -1.017 20 0 CAADLO COC(=O)CN(CC[NH+]1CCOCC1)C[C@H](O)CO ZINC000857707363 582239379 /nfs/dbraw/zinc/23/93/79/582239379.db2.gz MBRIATPOUQVXOB-NSHDSACASA-N 1 2 276.333 -1.853 20 0 CAADLO Cn1cc(C(=O)N[C@@H]2Cc3c[nH+]cn3C2)c(=O)n(C)c1=O ZINC000857890697 582239464 /nfs/dbraw/zinc/23/94/64/582239464.db2.gz ZASCACANPLSSHW-MRVPVSSYSA-N 1 2 289.295 -1.365 20 0 CAADLO O=C(N[C@H]1Cc2c[nH+]cn2C1)C1=NN(CCO)C(=O)CC1 ZINC000857890514 582239466 /nfs/dbraw/zinc/23/94/66/582239466.db2.gz XECANOUPVKKCSI-VIFPVBQESA-N 1 2 291.311 -1.105 20 0 CAADLO C[N@@H+]1CCOC[C@H]1CNC(=O)NCCn1cncn1 ZINC000858235883 582239671 /nfs/dbraw/zinc/23/96/71/582239671.db2.gz STXTUGREKGVUJW-SNVBAGLBSA-N 1 2 268.321 -1.092 20 0 CAADLO C[N@H+]1CCOC[C@H]1CNC(=O)NCCn1cncn1 ZINC000858235883 582239672 /nfs/dbraw/zinc/23/96/72/582239672.db2.gz STXTUGREKGVUJW-SNVBAGLBSA-N 1 2 268.321 -1.092 20 0 CAADLO Cn1cc(CC[NH+]2CCN(S(N)(=O)=O)CC2)nn1 ZINC000859136420 582240724 /nfs/dbraw/zinc/24/07/24/582240724.db2.gz NBAIJBGQNXZWCZ-UHFFFAOYSA-N 1 2 274.350 -1.821 20 0 CAADLO C[C@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1COC(=O)N1 ZINC000859203694 582240797 /nfs/dbraw/zinc/24/07/97/582240797.db2.gz FQVMIYBLWMBBOX-IUCAKERBSA-N 1 2 257.290 -1.068 20 0 CAADLO C[C@H]1COCC[N@H+]1CCNC(=O)[C@@H]1COC(=O)N1 ZINC000859203694 582240799 /nfs/dbraw/zinc/24/07/99/582240799.db2.gz FQVMIYBLWMBBOX-IUCAKERBSA-N 1 2 257.290 -1.068 20 0 CAADLO NC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2COC(=O)N2)CC1 ZINC000859191579 582240839 /nfs/dbraw/zinc/24/08/39/582240839.db2.gz PZBAUENJYXTBPX-QMMMGPOBSA-N 1 2 270.289 -1.886 20 0 CAADLO NC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2COC(=O)N2)CC1 ZINC000859191579 582240840 /nfs/dbraw/zinc/24/08/40/582240840.db2.gz PZBAUENJYXTBPX-QMMMGPOBSA-N 1 2 270.289 -1.886 20 0 CAADLO O=C1CC[C@@H]([NH+]2CCN(c3nccnn3)CC2)C(=O)N1 ZINC000859410121 582241133 /nfs/dbraw/zinc/24/11/33/582241133.db2.gz YJPIRUOIBHMNSG-SECBINFHSA-N 1 2 276.300 -1.201 20 0 CAADLO CC(C)(C(N)=O)[NH+]1CCN(C(=O)[C@@H]2CCOC(=O)N2)CC1 ZINC000859723302 582241711 /nfs/dbraw/zinc/24/17/11/582241711.db2.gz ANKYVFBXLSGWBY-VIFPVBQESA-N 1 2 298.343 -1.107 20 0 CAADLO C=CC(=O)N(C)CC(=O)N(CCO)CC[NH+]1CCOCC1 ZINC000860271122 582242385 /nfs/dbraw/zinc/24/23/85/582242385.db2.gz LIDORFHKEIFNGA-UHFFFAOYSA-N 1 2 299.371 -1.216 20 0 CAADLO O=C([C@@H]1COC(=O)N1)N(CCO)CC[NH+]1CCOCC1 ZINC000860272087 582242406 /nfs/dbraw/zinc/24/24/06/582242406.db2.gz YCHDOFHKPVVYLQ-JTQLQIEISA-N 1 2 287.316 -1.752 20 0 CAADLO O=C(NC[C@@H]1C[NH+]2CCN1CC2)[C@@H]1COC(=O)N1 ZINC000860311612 582242599 /nfs/dbraw/zinc/24/25/99/582242599.db2.gz ZCHRGVHXOJNUAJ-BDAKNGLRSA-N 1 2 254.290 -1.789 20 0 CAADLO NC(=O)[C@@H]1CC[C@H](C(=O)OCC[NH+]2CCOCC2)O1 ZINC000860414172 582242767 /nfs/dbraw/zinc/24/27/67/582242767.db2.gz WFXPMYMHGXLSQN-VHSXEESVSA-N 1 2 272.301 -1.105 20 0 CAADLO CC[S@@](C)(=O)=NS(=O)(=O)NCC[N@H+](C)CCO ZINC000885803955 582245428 /nfs/dbraw/zinc/24/54/28/582245428.db2.gz CHKOFRLZJMFXCA-MRXNPFEDSA-N 1 2 287.407 -1.137 20 0 CAADLO CC[S@@](C)(=O)=NS(=O)(=O)NCC[N@@H+](C)CCO ZINC000885803955 582245429 /nfs/dbraw/zinc/24/54/29/582245429.db2.gz CHKOFRLZJMFXCA-MRXNPFEDSA-N 1 2 287.407 -1.137 20 0 CAADLO CC(C)NC(=O)C[N@H+](C)CC(=O)NC[C@H]1COCO1 ZINC000861964272 582245868 /nfs/dbraw/zinc/24/58/68/582245868.db2.gz BHIRJEUPQWVIGP-JTQLQIEISA-N 1 2 273.333 -1.068 20 0 CAADLO CC(C)NC(=O)C[N@@H+](C)CC(=O)NC[C@H]1COCO1 ZINC000861964272 582245869 /nfs/dbraw/zinc/24/58/69/582245869.db2.gz BHIRJEUPQWVIGP-JTQLQIEISA-N 1 2 273.333 -1.068 20 0 CAADLO C[NH+](C)C1(C(=O)NN2CCS(=O)(=O)CC2)CC1 ZINC000862731534 582247349 /nfs/dbraw/zinc/24/73/49/582247349.db2.gz OHSZUQXPTINPCU-UHFFFAOYSA-N 1 2 261.347 -1.158 20 0 CAADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CCOC(=O)N1 ZINC000862970086 582247870 /nfs/dbraw/zinc/24/78/70/582247870.db2.gz SVGBLQXDXOEMCK-IUCAKERBSA-N 1 2 257.290 -1.068 20 0 CAADLO C[N@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CCOC(=O)N1 ZINC000862970086 582247871 /nfs/dbraw/zinc/24/78/71/582247871.db2.gz SVGBLQXDXOEMCK-IUCAKERBSA-N 1 2 257.290 -1.068 20 0 CAADLO C[N@@H+]1CCOC[C@H]1CNC(=O)C[C@@H]1SC(=N)NC1=O ZINC000862973906 582247875 /nfs/dbraw/zinc/24/78/75/582247875.db2.gz WVFLNWGEXJKUFQ-SFYZADRCSA-N 1 2 286.357 -1.010 20 0 CAADLO C[N@H+]1CCOC[C@H]1CNC(=O)C[C@@H]1SC(=N)NC1=O ZINC000862973906 582247876 /nfs/dbraw/zinc/24/78/76/582247876.db2.gz WVFLNWGEXJKUFQ-SFYZADRCSA-N 1 2 286.357 -1.010 20 0 CAADLO C[N@@H+]1CCOC[C@H]1CNC(=O)[C@H]1CCOC(=O)N1 ZINC000862970087 582247900 /nfs/dbraw/zinc/24/79/00/582247900.db2.gz SVGBLQXDXOEMCK-RKDXNWHRSA-N 1 2 257.290 -1.068 20 0 CAADLO C[N@H+]1CCOC[C@H]1CNC(=O)[C@H]1CCOC(=O)N1 ZINC000862970087 582247901 /nfs/dbraw/zinc/24/79/01/582247901.db2.gz SVGBLQXDXOEMCK-RKDXNWHRSA-N 1 2 257.290 -1.068 20 0 CAADLO C[N@@H+]1CCOC[C@H]1CNC(=O)C[C@H]1SC(=N)NC1=O ZINC000862973904 582247905 /nfs/dbraw/zinc/24/79/05/582247905.db2.gz WVFLNWGEXJKUFQ-HTQZYQBOSA-N 1 2 286.357 -1.010 20 0 CAADLO C[N@H+]1CCOC[C@H]1CNC(=O)C[C@H]1SC(=N)NC1=O ZINC000862973904 582247906 /nfs/dbraw/zinc/24/79/06/582247906.db2.gz WVFLNWGEXJKUFQ-HTQZYQBOSA-N 1 2 286.357 -1.010 20 0 CAADLO C[C@@H]1OC(=O)N[C@@H]1C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000862971244 582247915 /nfs/dbraw/zinc/24/79/15/582247915.db2.gz QOBBNXSXSHVIKP-YIZRAAEISA-N 1 2 257.290 -1.070 20 0 CAADLO C[C@@H]1OC(=O)N[C@@H]1C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000862971244 582247917 /nfs/dbraw/zinc/24/79/17/582247917.db2.gz QOBBNXSXSHVIKP-YIZRAAEISA-N 1 2 257.290 -1.070 20 0 CAADLO C[C@@H]1OC(=O)N[C@@H]1C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000862971241 582247921 /nfs/dbraw/zinc/24/79/21/582247921.db2.gz QOBBNXSXSHVIKP-CIUDSAMLSA-N 1 2 257.290 -1.070 20 0 CAADLO C[C@@H]1OC(=O)N[C@@H]1C(=O)NC[C@H]1COCC[N@H+]1C ZINC000862971241 582247923 /nfs/dbraw/zinc/24/79/23/582247923.db2.gz QOBBNXSXSHVIKP-CIUDSAMLSA-N 1 2 257.290 -1.070 20 0 CAADLO C[C@@H]1OC(=O)N[C@H]1C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000862971243 582247952 /nfs/dbraw/zinc/24/79/52/582247952.db2.gz QOBBNXSXSHVIKP-XHNCKOQMSA-N 1 2 257.290 -1.070 20 0 CAADLO C[C@@H]1OC(=O)N[C@H]1C(=O)NC[C@H]1COCC[N@H+]1C ZINC000862971243 582247953 /nfs/dbraw/zinc/24/79/53/582247953.db2.gz QOBBNXSXSHVIKP-XHNCKOQMSA-N 1 2 257.290 -1.070 20 0 CAADLO Cn1cc([C@@H](O)C(=O)NC[C@H]2COCC[N@@H+]2C)cn1 ZINC000862969840 582247956 /nfs/dbraw/zinc/24/79/56/582247956.db2.gz OSHXHALYAACVAO-WDEREUQCSA-N 1 2 268.317 -1.100 20 0 CAADLO Cn1cc([C@@H](O)C(=O)NC[C@H]2COCC[N@H+]2C)cn1 ZINC000862969840 582247957 /nfs/dbraw/zinc/24/79/57/582247957.db2.gz OSHXHALYAACVAO-WDEREUQCSA-N 1 2 268.317 -1.100 20 0 CAADLO CN(C)C(=O)CNC(=S)NC[C@H]1COCC[N@@H+]1C ZINC000863226521 582248218 /nfs/dbraw/zinc/24/82/18/582248218.db2.gz JEABEOGFUNADKT-VIFPVBQESA-N 1 2 274.390 -1.131 20 0 CAADLO CN(C)C(=O)CNC(=S)NC[C@H]1COCC[N@H+]1C ZINC000863226521 582248219 /nfs/dbraw/zinc/24/82/19/582248219.db2.gz JEABEOGFUNADKT-VIFPVBQESA-N 1 2 274.390 -1.131 20 0 CAADLO COC(=O)[C@@]1(OC)CC[N@H+](CN2C(=O)C(=O)N(C)C2=O)C1 ZINC000863296557 582248409 /nfs/dbraw/zinc/24/84/09/582248409.db2.gz JVINNOWHZHTDAN-GFCCVEGCSA-N 1 2 299.283 -1.372 20 0 CAADLO COC(=O)[C@@]1(OC)CC[N@@H+](CN2C(=O)C(=O)N(C)C2=O)C1 ZINC000863296557 582248410 /nfs/dbraw/zinc/24/84/10/582248410.db2.gz JVINNOWHZHTDAN-GFCCVEGCSA-N 1 2 299.283 -1.372 20 0 CAADLO CN1C(=O)C(=O)N(C[N@@H+]2C[C@@H]3COC(=O)[C@@H]3C2)C1=O ZINC000863337651 582248745 /nfs/dbraw/zinc/24/87/45/582248745.db2.gz FTFSKEFNEJBDLT-RNFRBKRXSA-N 1 2 267.241 -1.531 20 0 CAADLO CN1C(=O)C(=O)N(C[N@H+]2C[C@@H]3COC(=O)[C@@H]3C2)C1=O ZINC000863337651 582248747 /nfs/dbraw/zinc/24/87/47/582248747.db2.gz FTFSKEFNEJBDLT-RNFRBKRXSA-N 1 2 267.241 -1.531 20 0 CAADLO CCS(=O)(=O)CC[NH2+]C1CN(S(=O)(=O)N(C)C)C1 ZINC000863585765 582249360 /nfs/dbraw/zinc/24/93/60/582249360.db2.gz KQEMWKQRFQVWLJ-UHFFFAOYSA-N 1 2 299.418 -1.499 20 0 CAADLO CN1CCO[C@@H](C(=O)N2CC[N@H+](C)[C@H](CO)C2)C1=O ZINC000864078019 582251309 /nfs/dbraw/zinc/25/13/09/582251309.db2.gz KNKTXUDBTTXKOR-VHSXEESVSA-N 1 2 271.317 -2.022 20 0 CAADLO CN1CCO[C@@H](C(=O)N2CC[N@@H+](C)[C@H](CO)C2)C1=O ZINC000864078019 582251310 /nfs/dbraw/zinc/25/13/10/582251310.db2.gz KNKTXUDBTTXKOR-VHSXEESVSA-N 1 2 271.317 -2.022 20 0 CAADLO CN1CC[C@H](C(=O)N2CC[N@H+](C)[C@H](CO)C2)S1(=O)=O ZINC000864079536 582251539 /nfs/dbraw/zinc/25/15/39/582251539.db2.gz XXAXAKOBICFUPN-VHSXEESVSA-N 1 2 291.373 -1.845 20 0 CAADLO CN1CC[C@H](C(=O)N2CC[N@@H+](C)[C@H](CO)C2)S1(=O)=O ZINC000864079536 582251540 /nfs/dbraw/zinc/25/15/40/582251540.db2.gz XXAXAKOBICFUPN-VHSXEESVSA-N 1 2 291.373 -1.845 20 0 CAADLO CN1CC[C@](C)(C(=O)N2CC[N@H+](C)[C@@H](CO)C2)C1=O ZINC000864079584 582251576 /nfs/dbraw/zinc/25/15/76/582251576.db2.gz YMWHSIVPMIYAQY-MFKMUULPSA-N 1 2 269.345 -1.010 20 0 CAADLO CN1CC[C@](C)(C(=O)N2CC[N@@H+](C)[C@@H](CO)C2)C1=O ZINC000864079584 582251577 /nfs/dbraw/zinc/25/15/77/582251577.db2.gz YMWHSIVPMIYAQY-MFKMUULPSA-N 1 2 269.345 -1.010 20 0 CAADLO CN(C(=O)C1C[NH+]([C@@H]2CCOC2)C1)C1CS(=O)(=O)C1 ZINC000864081463 582251764 /nfs/dbraw/zinc/25/17/64/582251764.db2.gz IWKWNKJPJFLYGP-SNVBAGLBSA-N 1 2 288.369 -1.038 20 0 CAADLO Cn1cc(C(=O)NC[C@@H]2COCC[N@@H+]2C)n(C)c1=O ZINC000864082567 582251983 /nfs/dbraw/zinc/25/19/83/582251983.db2.gz OUYRVXLPYJOFOB-SECBINFHSA-N 1 2 268.317 -1.216 20 0 CAADLO Cn1cc(C(=O)NC[C@@H]2COCC[N@H+]2C)n(C)c1=O ZINC000864082567 582251984 /nfs/dbraw/zinc/25/19/84/582251984.db2.gz OUYRVXLPYJOFOB-SECBINFHSA-N 1 2 268.317 -1.216 20 0 CAADLO CN1CCO[C@@H](C(=O)NC[C@H]2COCC[N@@H+]2C)C1=O ZINC000864083037 582252145 /nfs/dbraw/zinc/25/21/45/582252145.db2.gz XCKWWHZHJUVPPU-UWVGGRQHSA-N 1 2 271.317 -1.710 20 0 CAADLO CN1CCO[C@@H](C(=O)NC[C@H]2COCC[N@H+]2C)C1=O ZINC000864083037 582252148 /nfs/dbraw/zinc/25/21/48/582252148.db2.gz XCKWWHZHJUVPPU-UWVGGRQHSA-N 1 2 271.317 -1.710 20 0 CAADLO O=C1CN(c2cc[nH+]c(N3CCNC(=O)C3)n2)CCN1 ZINC000015115364 582252444 /nfs/dbraw/zinc/25/24/44/582252444.db2.gz VJHDSBTYFOFWCZ-UHFFFAOYSA-N 1 2 276.300 -1.651 20 0 CAADLO CS(=O)(=O)NCCNC(=O)/C=C\C[NH+]1CCOCC1 ZINC000864716873 582252625 /nfs/dbraw/zinc/25/26/25/582252625.db2.gz QLOQGGTZFPRYDU-IHWYPQMZSA-N 1 2 291.373 -1.460 20 0 CAADLO O=C(/C=C/C[NH+]1CCOCC1)NCCOCCO ZINC000864816299 582252662 /nfs/dbraw/zinc/25/26/62/582252662.db2.gz LQXKGJRNZZZZKH-OWOJBTEDSA-N 1 2 258.318 -1.000 20 0 CAADLO NC(=O)[C@@H]1CN(C(=O)/C=C/C[NH+]2CCOCC2)CCO1 ZINC000865065465 582252866 /nfs/dbraw/zinc/25/28/66/582252866.db2.gz NRWRIWSZACACNE-GXFZAYBSSA-N 1 2 283.328 -1.413 20 0 CAADLO COC(=O)[C@H](C)NC(=O)[C@H](C)[NH2+]Cc1cnn(C)n1 ZINC000865684739 582253107 /nfs/dbraw/zinc/25/31/07/582253107.db2.gz IMKGICQSKPYRRJ-YUMQZZPRSA-N 1 2 269.305 -1.029 20 0 CAADLO COC/C=C\C(=O)NCC(=O)NCC[NH+]1CCOCC1 ZINC000865709690 582253328 /nfs/dbraw/zinc/25/33/28/582253328.db2.gz OLLXFZKNENLOJG-IHWYPQMZSA-N 1 2 285.344 -1.246 20 0 CAADLO O=C(N[C@H](CO)C[NH+]1CCOCC1)N1CCOCC1 ZINC000866056193 582253420 /nfs/dbraw/zinc/25/34/20/582253420.db2.gz GGLHPBYYDLATER-NSHDSACASA-N 1 2 273.333 -1.279 20 0 CAADLO C[N@@H+]1CCO[C@H](CS(=O)(=O)NCC(=O)NC2CC2)C1 ZINC000866426281 582253785 /nfs/dbraw/zinc/25/37/85/582253785.db2.gz XOEIYDNWNHNKTR-JTQLQIEISA-N 1 2 291.373 -1.485 20 0 CAADLO C[N@H+]1CCO[C@H](CS(=O)(=O)NCC(=O)NC2CC2)C1 ZINC000866426281 582253787 /nfs/dbraw/zinc/25/37/87/582253787.db2.gz XOEIYDNWNHNKTR-JTQLQIEISA-N 1 2 291.373 -1.485 20 0 CAADLO C[N@@H+]1CCO[C@H](CS(=O)(=O)NC[C@@H]2COCCO2)C1 ZINC000866559403 582253843 /nfs/dbraw/zinc/25/38/43/582253843.db2.gz HDIJWUDHHZAQSR-MNOVXSKESA-N 1 2 294.373 -1.348 20 0 CAADLO C[N@H+]1CCO[C@H](CS(=O)(=O)NC[C@@H]2COCCO2)C1 ZINC000866559403 582253845 /nfs/dbraw/zinc/25/38/45/582253845.db2.gz HDIJWUDHHZAQSR-MNOVXSKESA-N 1 2 294.373 -1.348 20 0 CAADLO C[N@@H+]1CCO[C@@H](CS(=O)(=O)NC[C@H]2COCCO2)C1 ZINC000866559406 582253855 /nfs/dbraw/zinc/25/38/55/582253855.db2.gz HDIJWUDHHZAQSR-WDEREUQCSA-N 1 2 294.373 -1.348 20 0 CAADLO C[N@H+]1CCO[C@@H](CS(=O)(=O)NC[C@H]2COCCO2)C1 ZINC000866559406 582253856 /nfs/dbraw/zinc/25/38/56/582253856.db2.gz HDIJWUDHHZAQSR-WDEREUQCSA-N 1 2 294.373 -1.348 20 0 CAADLO C[N@@H+]1CCO[C@H](CS(=O)(=O)NC[C@H]2COCCO2)C1 ZINC000866559404 582253943 /nfs/dbraw/zinc/25/39/43/582253943.db2.gz HDIJWUDHHZAQSR-QWRGUYRKSA-N 1 2 294.373 -1.348 20 0 CAADLO C[N@H+]1CCO[C@H](CS(=O)(=O)NC[C@H]2COCCO2)C1 ZINC000866559404 582253944 /nfs/dbraw/zinc/25/39/44/582253944.db2.gz HDIJWUDHHZAQSR-QWRGUYRKSA-N 1 2 294.373 -1.348 20 0 CAADLO C[N@@H+]1CCO[C@H](CS(=O)(=O)N2CCCNC(=O)C2)C1 ZINC000866713817 582253989 /nfs/dbraw/zinc/25/39/89/582253989.db2.gz YEOUWOYKLGEFII-JTQLQIEISA-N 1 2 291.373 -1.531 20 0 CAADLO C[N@H+]1CCO[C@H](CS(=O)(=O)N2CCCNC(=O)C2)C1 ZINC000866713817 582253991 /nfs/dbraw/zinc/25/39/91/582253991.db2.gz YEOUWOYKLGEFII-JTQLQIEISA-N 1 2 291.373 -1.531 20 0 CAADLO O=C(/C=C\C[NH+]1CCOCC1)NCCn1ncnn1 ZINC000866605407 582254025 /nfs/dbraw/zinc/25/40/25/582254025.db2.gz ODQLCUPPKRICBF-UPHRSURJSA-N 1 2 266.305 -1.322 20 0 CAADLO O=C([C@H]1CCC(=O)O1)N(CCO)CC[NH+]1CCOCC1 ZINC000866806460 582254311 /nfs/dbraw/zinc/25/43/11/582254311.db2.gz YPXLDGWJZXFEQR-LLVKDONJSA-N 1 2 286.328 -1.155 20 0 CAADLO CS(C)(=O)=NS(=O)(=O)N1CCC[N@H+](CCO)CC1 ZINC000866829940 582254408 /nfs/dbraw/zinc/25/44/08/582254408.db2.gz NYDKULIHXZVERU-UHFFFAOYSA-N 1 2 299.418 -1.041 20 0 CAADLO CS(C)(=O)=NS(=O)(=O)N1CCC[N@@H+](CCO)CC1 ZINC000866829940 582254410 /nfs/dbraw/zinc/25/44/10/582254410.db2.gz NYDKULIHXZVERU-UHFFFAOYSA-N 1 2 299.418 -1.041 20 0 CAADLO O=C(/C=C\C[NH+]1CCOCC1)N1C[C@@H](O)C[C@H]1CO ZINC000867507565 582254553 /nfs/dbraw/zinc/25/45/53/582254553.db2.gz PSQJGXTXMACNAS-ZMCHVJTCSA-N 1 2 270.329 -1.171 20 0 CAADLO COC[C@@H](CO)NC(=O)/C=C\C[NH+]1CCOCC1 ZINC000867924423 582255346 /nfs/dbraw/zinc/25/53/46/582255346.db2.gz WGIFOHCIALESFT-OTDNITJGSA-N 1 2 258.318 -1.002 20 0 CAADLO COC(=O)CNC(=O)CNC(=O)/C=C\C[NH+]1CCOCC1 ZINC000867919029 582255387 /nfs/dbraw/zinc/25/53/87/582255387.db2.gz FSTYQMHOLHDDIR-IHWYPQMZSA-N 1 2 299.327 -1.720 20 0 CAADLO CN1C(=O)[C@H]2CN(C(=O)CN3CC[NH2+]CC3=O)C[C@H]2C1=O ZINC000867992505 582255525 /nfs/dbraw/zinc/25/55/25/582255525.db2.gz NWIDVJCQFGFLAZ-DTORHVGOSA-N 1 2 294.311 -2.509 20 0 CAADLO O=C(CCCCO)N[C@H](CO)C[NH+]1CCOCC1 ZINC000868029812 582255765 /nfs/dbraw/zinc/25/57/65/582255765.db2.gz QMWRZSNHHQVNBP-NSHDSACASA-N 1 2 260.334 -1.042 20 0 CAADLO CN1CCn2nc(NC(=O)CN3CC[NH2+]CC3=O)cc2C1 ZINC000868037647 582255778 /nfs/dbraw/zinc/25/57/78/582255778.db2.gz VGDAEHQLSNAQKH-UHFFFAOYSA-N 1 2 292.343 -1.301 20 0 CAADLO NC(=O)[C@H](CO)NC(=O)[C@H]1CCC[N@H+](CC(F)F)C1 ZINC000868268046 582255959 /nfs/dbraw/zinc/25/59/59/582255959.db2.gz WSMOFBPVBFFSAJ-YUMQZZPRSA-N 1 2 279.287 -1.074 20 0 CAADLO NC(=O)[C@H](CO)NC(=O)[C@H]1CCC[N@@H+](CC(F)F)C1 ZINC000868268046 582255960 /nfs/dbraw/zinc/25/59/60/582255960.db2.gz WSMOFBPVBFFSAJ-YUMQZZPRSA-N 1 2 279.287 -1.074 20 0 CAADLO COC[C@@H](O)CNC(=O)/C=C\C[NH+]1CCOCC1 ZINC000868130411 582255972 /nfs/dbraw/zinc/25/59/72/582255972.db2.gz ZKGJYGOZTLXVCF-QUCGXOGASA-N 1 2 258.318 -1.002 20 0 CAADLO COC[C@@H](O)CNC(=O)/C=C/C[NH+]1CCOCC1 ZINC000868130412 582256046 /nfs/dbraw/zinc/25/60/46/582256046.db2.gz ZKGJYGOZTLXVCF-VUDBWIFFSA-N 1 2 258.318 -1.002 20 0 CAADLO CC(CO)(CO)CNC(=O)/C=C/C[NH+]1CCOCC1 ZINC000868564962 582256517 /nfs/dbraw/zinc/25/65/17/582256517.db2.gz PQBOPPGOFJDPBW-NSCUHMNNSA-N 1 2 272.345 -1.018 20 0 CAADLO NC(=O)C[C@@H]1COCCN1C(=O)/C=C\C[NH+]1CCOCC1 ZINC000868804601 582256598 /nfs/dbraw/zinc/25/65/98/582256598.db2.gz HCSKGATVBRAQOE-UDSFMNFJSA-N 1 2 297.355 -1.022 20 0 CAADLO O=C(/C=C\C[NH+]1CCOCC1)N[C@@H]1COC[C@H]1O ZINC000868744147 582256632 /nfs/dbraw/zinc/25/66/32/582256632.db2.gz QVFCLCJQUQGXOD-JLVKAVFRSA-N 1 2 256.302 -1.249 20 0 CAADLO O=C(/C=C\C[NH+]1CCOCC1)N1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000868717973 582256679 /nfs/dbraw/zinc/25/66/79/582256679.db2.gz WKRDHVNYRWGQOR-GOHLFLMTSA-N 1 2 293.323 -1.394 20 0 CAADLO COC(=O)C[C@@H](O)CNC(=O)/C=C\C[NH+]1CCOCC1 ZINC000869448481 582257126 /nfs/dbraw/zinc/25/71/26/582257126.db2.gz JKKPYSBMBBDKHV-OTDNITJGSA-N 1 2 286.328 -1.085 20 0 CAADLO NC(=O)C[C@@H]1CN(C(=O)/C=C/C[NH+]2CCOCC2)CCO1 ZINC000869482660 582257206 /nfs/dbraw/zinc/25/72/06/582257206.db2.gz QOJJDDGNERTPKN-YYRQZUAOSA-N 1 2 297.355 -1.022 20 0 CAADLO NC(=O)C[C@@H]1CN(C(=O)/C=C\C[NH+]2CCOCC2)CCO1 ZINC000869482659 582257262 /nfs/dbraw/zinc/25/72/62/582257262.db2.gz QOJJDDGNERTPKN-UDSFMNFJSA-N 1 2 297.355 -1.022 20 0 CAADLO COC(=O)C[C@H](O)CNC(=O)/C=C\C[NH+]1CCOCC1 ZINC000869448482 582257270 /nfs/dbraw/zinc/25/72/70/582257270.db2.gz JKKPYSBMBBDKHV-QUCGXOGASA-N 1 2 286.328 -1.085 20 0 CAADLO C[C@H](O)[C@@H](O)CNC(=O)C(C)(C)[NH+]1CCOCC1 ZINC000871138142 582257971 /nfs/dbraw/zinc/25/79/71/582257971.db2.gz RXWQMXQQASWSCS-UWVGGRQHSA-N 1 2 260.334 -1.045 20 0 CAADLO C[C@H](O)[C@H](O)CNC(=O)C(C)(C)[NH+]1CCOCC1 ZINC000871138143 582257977 /nfs/dbraw/zinc/25/79/77/582257977.db2.gz RXWQMXQQASWSCS-VHSXEESVSA-N 1 2 260.334 -1.045 20 0 CAADLO O=C1CC2(COC2)CN1C[N@@H+]1CC[C@@H]2OCC(=O)N[C@H]2C1 ZINC000872617854 582259080 /nfs/dbraw/zinc/25/90/80/582259080.db2.gz RNEHJGGSNZTYCE-QWRGUYRKSA-N 1 2 295.339 -1.218 20 0 CAADLO O=C1CC2(COC2)CN1C[N@H+]1CC[C@@H]2OCC(=O)N[C@H]2C1 ZINC000872617854 582259081 /nfs/dbraw/zinc/25/90/81/582259081.db2.gz RNEHJGGSNZTYCE-QWRGUYRKSA-N 1 2 295.339 -1.218 20 0 CAADLO CN1CC[C@@](C)(C(=O)N2CCC[N@H+](CC(N)=O)CC2)C1=O ZINC000874351765 582260018 /nfs/dbraw/zinc/26/00/18/582260018.db2.gz MMLCYMJTCZBOIU-CQSZACIVSA-N 1 2 296.371 -1.126 20 0 CAADLO CN1CC[C@@](C)(C(=O)N2CCC[N@@H+](CC(N)=O)CC2)C1=O ZINC000874351765 582260020 /nfs/dbraw/zinc/26/00/20/582260020.db2.gz MMLCYMJTCZBOIU-CQSZACIVSA-N 1 2 296.371 -1.126 20 0 CAADLO NC(=O)C[N@@H+]1CCCN(C(=O)[C@H]2C[C@@H](O)C2)CC1 ZINC000874351754 582260036 /nfs/dbraw/zinc/26/00/36/582260036.db2.gz MAGUUYRYCWSZCI-AOOOYVTPSA-N 1 2 255.318 -1.223 20 0 CAADLO NC(=O)C[N@H+]1CCCN(C(=O)[C@H]2C[C@@H](O)C2)CC1 ZINC000874351754 582260037 /nfs/dbraw/zinc/26/00/37/582260037.db2.gz MAGUUYRYCWSZCI-AOOOYVTPSA-N 1 2 255.318 -1.223 20 0 CAADLO CN1CC[C@](C)(C(=O)N2CCC[N@H+](CC(N)=O)CC2)C1=O ZINC000874351763 582260093 /nfs/dbraw/zinc/26/00/93/582260093.db2.gz MMLCYMJTCZBOIU-AWEZNQCLSA-N 1 2 296.371 -1.126 20 0 CAADLO CN1CC[C@](C)(C(=O)N2CCC[N@@H+](CC(N)=O)CC2)C1=O ZINC000874351763 582260094 /nfs/dbraw/zinc/26/00/94/582260094.db2.gz MMLCYMJTCZBOIU-AWEZNQCLSA-N 1 2 296.371 -1.126 20 0 CAADLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)CS(=O)(=O)NC ZINC000874703903 582260331 /nfs/dbraw/zinc/26/03/31/582260331.db2.gz CMENNWKQKXSUFW-SNVBAGLBSA-N 1 2 293.389 -1.237 20 0 CAADLO CC[C@@H]1COCC[N@H+]1CCNC(=O)CS(=O)(=O)NC ZINC000874703903 582260332 /nfs/dbraw/zinc/26/03/32/582260332.db2.gz CMENNWKQKXSUFW-SNVBAGLBSA-N 1 2 293.389 -1.237 20 0 CAADLO CC[C@H]1COCC[N@@H+]1CCNC(=O)Cn1ncn(C)c1=O ZINC000874707212 582260445 /nfs/dbraw/zinc/26/04/45/582260445.db2.gz HNEIEIMUUBPVDV-NSHDSACASA-N 1 2 297.359 -1.191 20 0 CAADLO CC[C@H]1COCC[N@H+]1CCNC(=O)Cn1ncn(C)c1=O ZINC000874707212 582260447 /nfs/dbraw/zinc/26/04/47/582260447.db2.gz HNEIEIMUUBPVDV-NSHDSACASA-N 1 2 297.359 -1.191 20 0 CAADLO C[C@@H]1C[N@H+](CCNC(=O)N[C@@H]2COC[C@@H]2O)CCO1 ZINC000875195817 582261046 /nfs/dbraw/zinc/26/10/46/582261046.db2.gz VJYLIVJMWGZVBX-MXWKQRLJSA-N 1 2 273.333 -1.234 20 0 CAADLO C[C@@H]1C[N@@H+](CCNC(=O)N[C@@H]2COC[C@@H]2O)CCO1 ZINC000875195817 582261047 /nfs/dbraw/zinc/26/10/47/582261047.db2.gz VJYLIVJMWGZVBX-MXWKQRLJSA-N 1 2 273.333 -1.234 20 0 CAADLO Cn1c[nH+]cc1CNC(=O)N1CC(NS(C)(=O)=O)C1 ZINC000875591395 582261329 /nfs/dbraw/zinc/26/13/29/582261329.db2.gz KZBXGWFMRMCHKS-UHFFFAOYSA-N 1 2 287.345 -1.137 20 0 CAADLO C[C@H](C(=O)N(C)[C@@H]1CCCCNC1=O)N1CC[NH2+]CC1=O ZINC000876632872 582262696 /nfs/dbraw/zinc/26/26/96/582262696.db2.gz ZFNSNUGHXJSKJZ-GHMZBOCLSA-N 1 2 296.371 -1.066 20 0 CAADLO C[C@H](C(=O)NCC1N=NC(=S)N1C)N1CC[NH2+]CC1=O ZINC000876648868 582262718 /nfs/dbraw/zinc/26/27/18/582262718.db2.gz YGUHXDMOWWELJJ-SSDOTTSWSA-N 1 2 298.372 -1.460 20 0 CAADLO C[C@@H](C(=O)N(C)[C@@H]1CCCCNC1=O)N1CC[NH2+]CC1=O ZINC000876632876 582262794 /nfs/dbraw/zinc/26/27/94/582262794.db2.gz ZFNSNUGHXJSKJZ-WDEREUQCSA-N 1 2 296.371 -1.066 20 0 CAADLO C[C@@H](C(=O)NCCCN1CCOC1=O)N1CC[NH2+]CC1=O ZINC000876640560 582262800 /nfs/dbraw/zinc/26/28/00/582262800.db2.gz YAFIDBXGXJRGII-JTQLQIEISA-N 1 2 298.343 -1.235 20 0 CAADLO C[C@H]1[C@H](C)S(=O)(=O)CCN1C(=O)[C@@H](N)C[NH+](C)C ZINC000876673423 582262901 /nfs/dbraw/zinc/26/29/01/582262901.db2.gz NCKVIRFWUXUPFD-GUBZILKMSA-N 1 2 277.390 -1.091 20 0 CAADLO COC(=O)[C@@H]1COCCN1C(=O)[C@@H](C)N1CC[NH2+]CC1=O ZINC000876880464 582263604 /nfs/dbraw/zinc/26/36/04/582263604.db2.gz JPFGASVBMPOVEM-ZJUUUORDSA-N 1 2 299.327 -1.793 20 0 CAADLO COC(=O)[C@@H]1COCCN1C(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000876880462 582263621 /nfs/dbraw/zinc/26/36/21/582263621.db2.gz JPFGASVBMPOVEM-UWVGGRQHSA-N 1 2 299.327 -1.793 20 0 CAADLO COC(=O)C1=CC[C@H](NC(=O)CN2CC[NH2+]CC2=O)C1 ZINC000877001319 582264120 /nfs/dbraw/zinc/26/41/20/582264120.db2.gz BBCWCHHMOPXGED-JTQLQIEISA-N 1 2 281.312 -1.204 20 0 CAADLO CON(C)C(=O)[C@@H](C)NC(=O)[C@@H](C)N1CC[NH2+]CC1=O ZINC000877112811 582264389 /nfs/dbraw/zinc/26/43/89/582264389.db2.gz XNJZJUCXJKIZON-RKDXNWHRSA-N 1 2 286.332 -1.669 20 0 CAADLO O=C(CN1CC[NH2+]CC1=O)N[C@H]1[C@@H]2OC[C@H]3C[C@H]1C[C@H]23 ZINC000877178522 582264590 /nfs/dbraw/zinc/26/45/90/582264590.db2.gz WBPGVXSNUXWAPX-UHEDFLHXSA-N 1 2 279.340 -1.042 20 0 CAADLO CCn1ncc(C[NH2+]CC(=O)NCC(=O)OC)n1 ZINC000877706655 582265333 /nfs/dbraw/zinc/26/53/33/582265333.db2.gz POPDKEOZGCSQKD-UHFFFAOYSA-N 1 2 255.278 -1.323 20 0 CAADLO CN(C)S(=O)(=O)N1CC[NH+](CCn2cnnn2)CC1 ZINC000877950446 582265336 /nfs/dbraw/zinc/26/53/36/582265336.db2.gz HNBXQPHESQKULL-UHFFFAOYSA-N 1 2 289.365 -1.903 20 0 CAADLO CC(C)NC(=O)C(=O)N1CC[NH+](CCn2cnnn2)CC1 ZINC000877895326 582265377 /nfs/dbraw/zinc/26/53/77/582265377.db2.gz QHLCJHPNYZPOFF-UHFFFAOYSA-N 1 2 295.347 -1.658 20 0 CAADLO COC(=O)[C@H]1C[N@H+](CCc2nnnn2C)CCO1 ZINC000878048475 582265524 /nfs/dbraw/zinc/26/55/24/582265524.db2.gz AQGWEMRDDYDLQH-MRVPVSSYSA-N 1 2 255.278 -1.374 20 0 CAADLO COC(=O)[C@H]1C[N@@H+](CCc2nnnn2C)CCO1 ZINC000878048475 582265525 /nfs/dbraw/zinc/26/55/25/582265525.db2.gz AQGWEMRDDYDLQH-MRVPVSSYSA-N 1 2 255.278 -1.374 20 0 CAADLO COCC(=O)N1CC[NH+](CCc2nnnn2C)CC1 ZINC000877967111 582265560 /nfs/dbraw/zinc/26/55/60/582265560.db2.gz GDJCUIJANSAGRQ-UHFFFAOYSA-N 1 2 268.321 -1.457 20 0 CAADLO CCS(=O)(=O)N1CC[NH+](CCn2cnnn2)CC1 ZINC000878017336 582265562 /nfs/dbraw/zinc/26/55/62/582265562.db2.gz INWDHLYLMMJACM-UHFFFAOYSA-N 1 2 274.350 -1.360 20 0 CAADLO COCCCNC(=O)C[N@H+](C)CCc1nnnn1C ZINC000877951151 582265583 /nfs/dbraw/zinc/26/55/83/582265583.db2.gz RVVMCRKBLYWZSR-UHFFFAOYSA-N 1 2 270.337 -1.163 20 0 CAADLO COCCCNC(=O)C[N@@H+](C)CCc1nnnn1C ZINC000877951151 582265584 /nfs/dbraw/zinc/26/55/84/582265584.db2.gz RVVMCRKBLYWZSR-UHFFFAOYSA-N 1 2 270.337 -1.163 20 0 CAADLO CCOC(=O)[C@H]1C[N@H+](CCn2cnnn2)CCO1 ZINC000878127364 582265773 /nfs/dbraw/zinc/26/57/73/582265773.db2.gz GEEJXUQSKUBDDW-SECBINFHSA-N 1 2 255.278 -1.063 20 0 CAADLO CCOC(=O)[C@H]1C[N@@H+](CCn2cnnn2)CCO1 ZINC000878127364 582265774 /nfs/dbraw/zinc/26/57/74/582265774.db2.gz GEEJXUQSKUBDDW-SECBINFHSA-N 1 2 255.278 -1.063 20 0 CAADLO Cn1nnnc1CC[N@@H+]1CCN2C(=O)OC[C@H]2C1 ZINC000878194415 582265781 /nfs/dbraw/zinc/26/57/81/582265781.db2.gz IEUNWVGZYYJGEQ-MRVPVSSYSA-N 1 2 252.278 -1.111 20 0 CAADLO Cn1nnnc1CC[N@H+]1CCN2C(=O)OC[C@H]2C1 ZINC000878194415 582265782 /nfs/dbraw/zinc/26/57/82/582265782.db2.gz IEUNWVGZYYJGEQ-MRVPVSSYSA-N 1 2 252.278 -1.111 20 0 CAADLO Cn1nnnc1CC[N@@H+]1CCN2C(=O)OC[C@@H]2C1 ZINC000878194416 582265806 /nfs/dbraw/zinc/26/58/06/582265806.db2.gz IEUNWVGZYYJGEQ-QMMMGPOBSA-N 1 2 252.278 -1.111 20 0 CAADLO Cn1nnnc1CC[N@H+]1CCN2C(=O)OC[C@@H]2C1 ZINC000878194416 582265807 /nfs/dbraw/zinc/26/58/07/582265807.db2.gz IEUNWVGZYYJGEQ-QMMMGPOBSA-N 1 2 252.278 -1.111 20 0 CAADLO COCC[N@H+](CCn1cnnn1)[C@@H]1CCS(=O)(=O)C1 ZINC000878309825 582266000 /nfs/dbraw/zinc/26/60/00/582266000.db2.gz RVFRJGXSLNUIBS-SNVBAGLBSA-N 1 2 289.361 -1.191 20 0 CAADLO COCC[N@@H+](CCn1cnnn1)[C@@H]1CCS(=O)(=O)C1 ZINC000878309825 582266001 /nfs/dbraw/zinc/26/60/01/582266001.db2.gz RVFRJGXSLNUIBS-SNVBAGLBSA-N 1 2 289.361 -1.191 20 0 CAADLO C[C@@H](O)C(=O)N1CC[NH+](CCn2cnnn2)CC1 ZINC000878330919 582266110 /nfs/dbraw/zinc/26/61/10/582266110.db2.gz MVUUSAUFMSZWOW-SECBINFHSA-N 1 2 254.294 -1.802 20 0 CAADLO O=C(CNC(=O)COC1CC1)NCC[NH+]1CCOCC1 ZINC000878388555 582266142 /nfs/dbraw/zinc/26/61/42/582266142.db2.gz QYBQQQXMPCCTOY-UHFFFAOYSA-N 1 2 285.344 -1.270 20 0 CAADLO COC(=O)[C@H]1[C@@H](O)CCC[N@@H+]1CCc1nnnn1C ZINC000878477920 582266256 /nfs/dbraw/zinc/26/62/56/582266256.db2.gz VYNKRCYARXSIFZ-WCBMZHEXSA-N 1 2 269.305 -1.249 20 0 CAADLO COC(=O)[C@H]1[C@@H](O)CCC[N@H+]1CCc1nnnn1C ZINC000878477920 582266257 /nfs/dbraw/zinc/26/62/57/582266257.db2.gz VYNKRCYARXSIFZ-WCBMZHEXSA-N 1 2 269.305 -1.249 20 0 CAADLO C[C@H]1C[N@H+](CCNC(=O)c2nnn(C)n2)CCO1 ZINC000878592070 582266313 /nfs/dbraw/zinc/26/63/13/582266313.db2.gz HWVLPYTWADSPDD-QMMMGPOBSA-N 1 2 254.294 -1.339 20 0 CAADLO C[C@H]1C[N@@H+](CCNC(=O)c2nnn(C)n2)CCO1 ZINC000878592070 582266314 /nfs/dbraw/zinc/26/63/14/582266314.db2.gz HWVLPYTWADSPDD-QMMMGPOBSA-N 1 2 254.294 -1.339 20 0 CAADLO COC(=O)C[C@H]1COCC[N@@H+]1CCn1cnnn1 ZINC000878619460 582266399 /nfs/dbraw/zinc/26/63/99/582266399.db2.gz MRWVJWSXXUNNAZ-VIFPVBQESA-N 1 2 255.278 -1.063 20 0 CAADLO COC(=O)C[C@H]1COCC[N@H+]1CCn1cnnn1 ZINC000878619460 582266400 /nfs/dbraw/zinc/26/64/00/582266400.db2.gz MRWVJWSXXUNNAZ-VIFPVBQESA-N 1 2 255.278 -1.063 20 0 CAADLO O=C1CC[C@H]([NH+]2CCN(Cc3nc[nH]n3)CC2)C(=O)N1 ZINC000878809961 582266637 /nfs/dbraw/zinc/26/66/37/582266637.db2.gz PEILUMSWHXGZQB-VIFPVBQESA-N 1 2 278.316 -1.273 20 0 CAADLO COC(=O)[C@@H]1C[N@H+](CCn2cnnn2)C[C@H](C)O1 ZINC000878807313 582266661 /nfs/dbraw/zinc/26/66/61/582266661.db2.gz MHNNNKCTYOYRBP-IUCAKERBSA-N 1 2 255.278 -1.065 20 0 CAADLO COC(=O)[C@@H]1C[N@@H+](CCn2cnnn2)C[C@H](C)O1 ZINC000878807313 582266662 /nfs/dbraw/zinc/26/66/62/582266662.db2.gz MHNNNKCTYOYRBP-IUCAKERBSA-N 1 2 255.278 -1.065 20 0 CAADLO CO[C@@H]1CS(=O)(=O)[C@H]2C[N@H+](CCn3cnnn3)C[C@H]21 ZINC000878957027 582266805 /nfs/dbraw/zinc/26/68/05/582266805.db2.gz ZSAOOSSMXBJOQN-AEJSXWLSSA-N 1 2 287.345 -1.583 20 0 CAADLO CO[C@@H]1CS(=O)(=O)[C@H]2C[N@@H+](CCn3cnnn3)C[C@H]21 ZINC000878957027 582266806 /nfs/dbraw/zinc/26/68/06/582266806.db2.gz ZSAOOSSMXBJOQN-AEJSXWLSSA-N 1 2 287.345 -1.583 20 0 CAADLO COC(=O)[C@@](C)(O)C[N@@H+]1CCO[C@@H](Cn2ccnn2)C1 ZINC000878985085 582267088 /nfs/dbraw/zinc/26/70/88/582267088.db2.gz BGJVVVRKYVXUJK-PWSUYJOCSA-N 1 2 284.316 -1.097 20 0 CAADLO COC(=O)[C@@](C)(O)C[N@H+]1CCO[C@@H](Cn2ccnn2)C1 ZINC000878985085 582267090 /nfs/dbraw/zinc/26/70/90/582267090.db2.gz BGJVVVRKYVXUJK-PWSUYJOCSA-N 1 2 284.316 -1.097 20 0 CAADLO COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)c2nnn(C)n2)CC1 ZINC000879056519 582267155 /nfs/dbraw/zinc/26/71/55/582267155.db2.gz VCNPCGUDYSUPKI-SECBINFHSA-N 1 2 296.331 -1.081 20 0 CAADLO COC(=O)C[C@H](C)[NH+]1CCN(C(=O)c2nnn(C)n2)CC1 ZINC000879056526 582267207 /nfs/dbraw/zinc/26/72/07/582267207.db2.gz VCNPCGUDYSUPKI-VIFPVBQESA-N 1 2 296.331 -1.081 20 0 CAADLO O=C(C[C@@H]1CCNC1=O)N(CCO)CC[NH+]1CCOCC1 ZINC000879304376 582267317 /nfs/dbraw/zinc/26/73/17/582267317.db2.gz KNMHRLQTJSQJDO-LBPRGKRZSA-N 1 2 299.371 -1.334 20 0 CAADLO Cn1nnc(C(=O)NC[C@@H]2C[NH+]3CCN2CC3)n1 ZINC000879248280 582267319 /nfs/dbraw/zinc/26/73/19/582267319.db2.gz QBPKMKNDCABVGA-MRVPVSSYSA-N 1 2 251.294 -2.060 20 0 CAADLO O=C(C[C@@H]1CCNC1=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000879247729 582267336 /nfs/dbraw/zinc/26/73/36/582267336.db2.gz HKTWVEJRGSJBMZ-QWRGUYRKSA-N 1 2 266.345 -1.371 20 0 CAADLO O=C(C[C@H]1CCNC1=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000879247728 582267338 /nfs/dbraw/zinc/26/73/38/582267338.db2.gz HKTWVEJRGSJBMZ-MNOVXSKESA-N 1 2 266.345 -1.371 20 0 CAADLO CCCNC(=O)CN(C)C(=O)C[N@@H+]1CC[C@@H](O)[C@@H](O)C1 ZINC000879614278 582267787 /nfs/dbraw/zinc/26/77/87/582267787.db2.gz OJNVPICXFYMVRV-MNOVXSKESA-N 1 2 287.360 -1.602 20 0 CAADLO CCCNC(=O)CN(C)C(=O)C[N@H+]1CC[C@@H](O)[C@@H](O)C1 ZINC000879614278 582267788 /nfs/dbraw/zinc/26/77/88/582267788.db2.gz OJNVPICXFYMVRV-MNOVXSKESA-N 1 2 287.360 -1.602 20 0 CAADLO CCOC(=O)CN(C)C(=O)C[N@@H+]1CC[C@@H](O)[C@@H](O)C1 ZINC000879611887 582267927 /nfs/dbraw/zinc/26/79/27/582267927.db2.gz MJPQCFQUXPXGQH-ZJUUUORDSA-N 1 2 274.317 -1.565 20 0 CAADLO CCOC(=O)CN(C)C(=O)C[N@H+]1CC[C@@H](O)[C@@H](O)C1 ZINC000879611887 582267928 /nfs/dbraw/zinc/26/79/28/582267928.db2.gz MJPQCFQUXPXGQH-ZJUUUORDSA-N 1 2 274.317 -1.565 20 0 CAADLO O=C(C[N@@H+]1CCC[C@H]2OCCNC(=O)[C@H]21)N1CCNC1=O ZINC000879721918 582268165 /nfs/dbraw/zinc/26/81/65/582268165.db2.gz JXWXGISOBVWPEB-KOLCDFICSA-N 1 2 296.327 -1.482 20 0 CAADLO O=C(C[N@H+]1CCC[C@H]2OCCNC(=O)[C@H]21)N1CCNC1=O ZINC000879721918 582268166 /nfs/dbraw/zinc/26/81/66/582268166.db2.gz JXWXGISOBVWPEB-KOLCDFICSA-N 1 2 296.327 -1.482 20 0 CAADLO O=C(C[N@@H+]1CCC[C@@H]2OCCNC(=O)[C@H]21)N1CCNC1=O ZINC000879721920 582268181 /nfs/dbraw/zinc/26/81/81/582268181.db2.gz JXWXGISOBVWPEB-ONGXEEELSA-N 1 2 296.327 -1.482 20 0 CAADLO O=C(C[N@H+]1CCC[C@@H]2OCCNC(=O)[C@H]21)N1CCNC1=O ZINC000879721920 582268182 /nfs/dbraw/zinc/26/81/82/582268182.db2.gz JXWXGISOBVWPEB-ONGXEEELSA-N 1 2 296.327 -1.482 20 0 CAADLO O=C1NCCN1CC[N@@H+]1CCC[C@H]2OCCNC(=O)[C@@H]21 ZINC000879726282 582268205 /nfs/dbraw/zinc/26/82/05/582268205.db2.gz VFCBEGXDBJLRKE-GHMZBOCLSA-N 1 2 282.344 -1.009 20 0 CAADLO O=C1NCCN1CC[N@H+]1CCC[C@H]2OCCNC(=O)[C@@H]21 ZINC000879726282 582268206 /nfs/dbraw/zinc/26/82/06/582268206.db2.gz VFCBEGXDBJLRKE-GHMZBOCLSA-N 1 2 282.344 -1.009 20 0 CAADLO O=C(C[N@@H+]1CCC[C@@H]2OCCNC(=O)[C@@H]21)N1CCNC1=O ZINC000879721917 582268213 /nfs/dbraw/zinc/26/82/13/582268213.db2.gz JXWXGISOBVWPEB-GXSJLCMTSA-N 1 2 296.327 -1.482 20 0 CAADLO O=C(C[N@H+]1CCC[C@@H]2OCCNC(=O)[C@@H]21)N1CCNC1=O ZINC000879721917 582268215 /nfs/dbraw/zinc/26/82/15/582268215.db2.gz JXWXGISOBVWPEB-GXSJLCMTSA-N 1 2 296.327 -1.482 20 0 CAADLO O=C(C[N@@H+]1CCC[C@H]2OCCNC(=O)[C@@H]21)N1CCNC1=O ZINC000879721919 582268249 /nfs/dbraw/zinc/26/82/49/582268249.db2.gz JXWXGISOBVWPEB-MWLCHTKSSA-N 1 2 296.327 -1.482 20 0 CAADLO O=C(C[N@H+]1CCC[C@H]2OCCNC(=O)[C@@H]21)N1CCNC1=O ZINC000879721919 582268250 /nfs/dbraw/zinc/26/82/50/582268250.db2.gz JXWXGISOBVWPEB-MWLCHTKSSA-N 1 2 296.327 -1.482 20 0 CAADLO CNS(=O)(=O)CC[N@@H+]1CCC[C@@H]2OCCNC(=O)[C@H]21 ZINC000879729172 582268308 /nfs/dbraw/zinc/26/83/08/582268308.db2.gz WZUHHIPJKJSQAI-UWVGGRQHSA-N 1 2 291.373 -1.485 20 0 CAADLO CNS(=O)(=O)CC[N@H+]1CCC[C@@H]2OCCNC(=O)[C@H]21 ZINC000879729172 582268310 /nfs/dbraw/zinc/26/83/10/582268310.db2.gz WZUHHIPJKJSQAI-UWVGGRQHSA-N 1 2 291.373 -1.485 20 0 CAADLO O=C(C[C@@H]1CCNC1=O)N[C@H](CO)C[NH+]1CCOCC1 ZINC000879858465 582268333 /nfs/dbraw/zinc/26/83/33/582268333.db2.gz KMOIZYKDZMZXFN-QWRGUYRKSA-N 1 2 285.344 -1.678 20 0 CAADLO O=C(COC1CC1)N[C@@H](CO)C[NH+]1CCOCC1 ZINC000879859072 582268359 /nfs/dbraw/zinc/26/83/59/582268359.db2.gz OFJKSEUGASIMHH-SNVBAGLBSA-N 1 2 258.318 -1.025 20 0 CAADLO COC(=O)[C@H]1C[C@@H](O)C[N@@H+]1CCN1C(=O)N[C@@H](C)C1=O ZINC000879743659 582268394 /nfs/dbraw/zinc/26/83/94/582268394.db2.gz ZUAMRRWCMYVJKY-DJLDLDEBSA-N 1 2 285.300 -1.465 20 0 CAADLO COC(=O)[C@H]1C[C@@H](O)C[N@H+]1CCN1C(=O)N[C@@H](C)C1=O ZINC000879743659 582268395 /nfs/dbraw/zinc/26/83/95/582268395.db2.gz ZUAMRRWCMYVJKY-DJLDLDEBSA-N 1 2 285.300 -1.465 20 0 CAADLO O=C(C[C@@H]1CCNC1=O)N[C@@H](CO)C[NH+]1CCOCC1 ZINC000879858467 582268411 /nfs/dbraw/zinc/26/84/11/582268411.db2.gz KMOIZYKDZMZXFN-WDEREUQCSA-N 1 2 285.344 -1.678 20 0 CAADLO O=C(C[C@H]1CCNC1=O)N[C@H](CO)C[NH+]1CCOCC1 ZINC000879858463 582268425 /nfs/dbraw/zinc/26/84/25/582268425.db2.gz KMOIZYKDZMZXFN-MNOVXSKESA-N 1 2 285.344 -1.678 20 0 CAADLO Cn1nnnc1CC[NH+]1CCN([S@@](C)(=N)=O)CC1 ZINC000879945767 582268509 /nfs/dbraw/zinc/26/85/09/582268509.db2.gz BFGWEJNJGNPRJB-GOSISDBHSA-N 1 2 273.366 -1.038 20 0 CAADLO C[C@@H]1C[N@H+](CCN(C)CCS(N)(=O)=O)CCO1 ZINC000880084312 582268782 /nfs/dbraw/zinc/26/87/82/582268782.db2.gz IXTWGDDYCFTOAV-SNVBAGLBSA-N 1 2 265.379 -1.073 20 0 CAADLO C[S@@](=N)(=O)N1CC[NH+](CCN2C(=O)CNC2=O)CC1 ZINC000879942903 582268569 /nfs/dbraw/zinc/26/85/69/582268569.db2.gz SFGYFHRMLOKCPB-IBGZPJMESA-N 1 2 289.361 -1.253 20 0 CAADLO C[C@@H]1C[N@@H+](CCN(C)CCS(N)(=O)=O)CCO1 ZINC000880084312 582268783 /nfs/dbraw/zinc/26/87/83/582268783.db2.gz IXTWGDDYCFTOAV-SNVBAGLBSA-N 1 2 265.379 -1.073 20 0 CAADLO C[C@H]1CN(C(=O)C[N@H+](C)CCS(N)(=O)=O)C[C@H](C)O1 ZINC000880081537 582268773 /nfs/dbraw/zinc/26/87/73/582268773.db2.gz RXJBEFSKBYEEPI-UWVGGRQHSA-N 1 2 293.389 -1.158 20 0 CAADLO C[C@H]1CN(C(=O)C[N@@H+](C)CCS(N)(=O)=O)C[C@H](C)O1 ZINC000880081537 582268774 /nfs/dbraw/zinc/26/87/74/582268774.db2.gz RXJBEFSKBYEEPI-UWVGGRQHSA-N 1 2 293.389 -1.158 20 0 CAADLO C[C@@H]1CN(C(=O)C[N@H+](C)CCS(N)(=O)=O)C[C@H](C)O1 ZINC000880081535 582268800 /nfs/dbraw/zinc/26/88/00/582268800.db2.gz RXJBEFSKBYEEPI-AOOOYVTPSA-N 1 2 293.389 -1.158 20 0 CAADLO C[C@@H]1CN(C(=O)C[N@@H+](C)CCS(N)(=O)=O)C[C@H](C)O1 ZINC000880081535 582268801 /nfs/dbraw/zinc/26/88/01/582268801.db2.gz RXJBEFSKBYEEPI-AOOOYVTPSA-N 1 2 293.389 -1.158 20 0 CAADLO CNC(=O)C[NH+](CCC(=O)NC(C)C)CC(=O)NC ZINC000880150283 582268923 /nfs/dbraw/zinc/26/89/23/582268923.db2.gz ODBYNBUJDKUNJC-UHFFFAOYSA-N 1 2 272.349 -1.305 20 0 CAADLO CNC(=O)CN(CC[N@H+]1C[C@H]2CC[C@@H](C1)O2)CC(=O)NC ZINC000880152752 582268949 /nfs/dbraw/zinc/26/89/49/582268949.db2.gz SSTVQZHJSPYEPT-TXEJJXNPSA-N 1 2 298.387 -1.356 20 0 CAADLO CNC(=O)CN(CC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)CC(=O)NC ZINC000880152752 582268950 /nfs/dbraw/zinc/26/89/50/582268950.db2.gz SSTVQZHJSPYEPT-TXEJJXNPSA-N 1 2 298.387 -1.356 20 0 CAADLO C[C@H]1NC(=O)N(CC[N@@H+]2CCCNC(=O)C2)C1=O ZINC000880141270 582268978 /nfs/dbraw/zinc/26/89/78/582268978.db2.gz OQNXCIHQYCREPY-MRVPVSSYSA-N 1 2 254.290 -1.251 20 0 CAADLO C[C@H]1NC(=O)N(CC[N@H+]2CCCNC(=O)C2)C1=O ZINC000880141270 582268980 /nfs/dbraw/zinc/26/89/80/582268980.db2.gz OQNXCIHQYCREPY-MRVPVSSYSA-N 1 2 254.290 -1.251 20 0 CAADLO CNC(=O)CN(CC[N@@H+]1CCO[C@H](C)C1)CC(=O)NC ZINC000880152866 582269054 /nfs/dbraw/zinc/26/90/54/582269054.db2.gz XRGBQBOOOBDINI-LLVKDONJSA-N 1 2 286.376 -1.499 20 0 CAADLO CNC(=O)CN(CC[N@H+]1CCO[C@H](C)C1)CC(=O)NC ZINC000880152866 582269055 /nfs/dbraw/zinc/26/90/55/582269055.db2.gz XRGBQBOOOBDINI-LLVKDONJSA-N 1 2 286.376 -1.499 20 0 CAADLO CNC(=O)C[NH+](CC(=O)NC)CC1(C(=O)OC)CC1 ZINC000880153659 582269096 /nfs/dbraw/zinc/26/90/96/582269096.db2.gz RZULVRKGLNCTFG-UHFFFAOYSA-N 1 2 271.317 -1.266 20 0 CAADLO CNC(=O)C[NH+](CC(=O)NC)C[C@H](O)CCOC(C)C ZINC000880152900 582269141 /nfs/dbraw/zinc/26/91/41/582269141.db2.gz YQBBIBFMWILXMW-LLVKDONJSA-N 1 2 289.376 -1.044 20 0 CAADLO CCOC[C@@H](O)C[N@@H+]1CCC(=O)NCC12COC2 ZINC000880399508 582269314 /nfs/dbraw/zinc/26/93/14/582269314.db2.gz QPHNXHCCJPHCFE-JTQLQIEISA-N 1 2 258.318 -1.025 20 0 CAADLO CCOC[C@@H](O)C[N@H+]1CCC(=O)NCC12COC2 ZINC000880399508 582269315 /nfs/dbraw/zinc/26/93/15/582269315.db2.gz QPHNXHCCJPHCFE-JTQLQIEISA-N 1 2 258.318 -1.025 20 0 CAADLO NS(=O)(=O)CC[N@@H+]1CCC[C@H]2CCNC(=O)[C@@H]21 ZINC000880528899 582269466 /nfs/dbraw/zinc/26/94/66/582269466.db2.gz HOKCUPWXKKGWDX-DTWKUNHWSA-N 1 2 261.347 -1.125 20 0 CAADLO NS(=O)(=O)CC[N@H+]1CCC[C@H]2CCNC(=O)[C@@H]21 ZINC000880528899 582269467 /nfs/dbraw/zinc/26/94/67/582269467.db2.gz HOKCUPWXKKGWDX-DTWKUNHWSA-N 1 2 261.347 -1.125 20 0 CAADLO O=C(C[N@H+]1CC=C[C@H]1CO)NCC(=O)N1CCCC1 ZINC000880485411 582269519 /nfs/dbraw/zinc/26/95/19/582269519.db2.gz GKBMOOKICYOGHP-NSHDSACASA-N 1 2 267.329 -1.042 20 0 CAADLO O=C(C[N@@H+]1CC=C[C@H]1CO)NCC(=O)N1CCCC1 ZINC000880485411 582269520 /nfs/dbraw/zinc/26/95/20/582269520.db2.gz GKBMOOKICYOGHP-NSHDSACASA-N 1 2 267.329 -1.042 20 0 CAADLO O=C(C[N@@H+]1CCC[C@H]2CCNC(=O)[C@@H]21)N1CCNC(=O)C1 ZINC000880532136 582269645 /nfs/dbraw/zinc/26/96/45/582269645.db2.gz MZBBGHJTASAULI-GXFFZTMASA-N 1 2 294.355 -1.455 20 0 CAADLO O=C(C[N@H+]1CCC[C@H]2CCNC(=O)[C@@H]21)N1CCNC(=O)C1 ZINC000880532136 582269646 /nfs/dbraw/zinc/26/96/46/582269646.db2.gz MZBBGHJTASAULI-GXFFZTMASA-N 1 2 294.355 -1.455 20 0 CAADLO COC(=O)[C@@]1(O)CC[N@H+](CC(=O)NC[C@@H]2CCCO2)C1 ZINC000880557986 582269657 /nfs/dbraw/zinc/26/96/57/582269657.db2.gz HAYPOKPFOCFCBD-GXFFZTMASA-N 1 2 286.328 -1.109 20 0 CAADLO COC(=O)[C@@]1(O)CC[N@@H+](CC(=O)NC[C@@H]2CCCO2)C1 ZINC000880557986 582269658 /nfs/dbraw/zinc/26/96/58/582269658.db2.gz HAYPOKPFOCFCBD-GXFFZTMASA-N 1 2 286.328 -1.109 20 0 CAADLO NS(=O)(=O)CC[N@@H+]1CCC[C@H]2CCNC(=O)[C@H]21 ZINC000880528900 582269722 /nfs/dbraw/zinc/26/97/22/582269722.db2.gz HOKCUPWXKKGWDX-IUCAKERBSA-N 1 2 261.347 -1.125 20 0 CAADLO NS(=O)(=O)CC[N@H+]1CCC[C@H]2CCNC(=O)[C@H]21 ZINC000880528900 582269723 /nfs/dbraw/zinc/26/97/23/582269723.db2.gz HOKCUPWXKKGWDX-IUCAKERBSA-N 1 2 261.347 -1.125 20 0 CAADLO CCOCCNC(=O)C[N@@H+]1CC[C@@](O)(C(=O)OC)C1 ZINC000880563120 582269852 /nfs/dbraw/zinc/26/98/52/582269852.db2.gz XDQNMTIJSGVOKW-LBPRGKRZSA-N 1 2 274.317 -1.251 20 0 CAADLO CCOCCNC(=O)C[N@H+]1CC[C@@](O)(C(=O)OC)C1 ZINC000880563120 582269853 /nfs/dbraw/zinc/26/98/53/582269853.db2.gz XDQNMTIJSGVOKW-LBPRGKRZSA-N 1 2 274.317 -1.251 20 0 CAADLO COC(=O)[C@@]1(O)CC[N@@H+]([C@H](C)c2nnnn2C)C1 ZINC000880566596 582270016 /nfs/dbraw/zinc/27/00/16/582270016.db2.gz OKMCCAMNXROXNW-GMSGAONNSA-N 1 2 255.278 -1.119 20 0 CAADLO COC(=O)[C@@]1(O)CC[N@H+]([C@H](C)c2nnnn2C)C1 ZINC000880566596 582270017 /nfs/dbraw/zinc/27/00/17/582270017.db2.gz OKMCCAMNXROXNW-GMSGAONNSA-N 1 2 255.278 -1.119 20 0 CAADLO C[N@@H+]1CCOC[C@H]1CNC(=O)C[C@@H]1CCNC1=O ZINC000880851312 582270149 /nfs/dbraw/zinc/27/01/49/582270149.db2.gz OGTROUZTPVASQN-VHSXEESVSA-N 1 2 255.318 -1.041 20 0 CAADLO C[N@H+]1CCOC[C@H]1CNC(=O)C[C@@H]1CCNC1=O ZINC000880851312 582270151 /nfs/dbraw/zinc/27/01/51/582270151.db2.gz OGTROUZTPVASQN-VHSXEESVSA-N 1 2 255.318 -1.041 20 0 CAADLO CC[N@@H+]1CC[C@H]1CNC(=O)CN1CCS(=O)(=O)CC1 ZINC000882484146 582271259 /nfs/dbraw/zinc/27/12/59/582271259.db2.gz UPMCCZBGLGEVKH-NSHDSACASA-N 1 2 289.401 -1.073 20 0 CAADLO CC[N@H+]1CC[C@H]1CNC(=O)CN1CCS(=O)(=O)CC1 ZINC000882484146 582271261 /nfs/dbraw/zinc/27/12/61/582271261.db2.gz UPMCCZBGLGEVKH-NSHDSACASA-N 1 2 289.401 -1.073 20 0 CAADLO CC[N@@H+]1CC[C@@H]1CNC(=O)CN1CCS(=O)(=O)CC1 ZINC000882484145 582271330 /nfs/dbraw/zinc/27/13/30/582271330.db2.gz UPMCCZBGLGEVKH-LLVKDONJSA-N 1 2 289.401 -1.073 20 0 CAADLO CC[N@H+]1CC[C@@H]1CNC(=O)CN1CCS(=O)(=O)CC1 ZINC000882484145 582271331 /nfs/dbraw/zinc/27/13/31/582271331.db2.gz UPMCCZBGLGEVKH-LLVKDONJSA-N 1 2 289.401 -1.073 20 0 CAADLO C[N@@H+]1CCO[C@H](CS(=O)(=O)N2CC=C[C@H]2CO)C1 ZINC000882787078 582271593 /nfs/dbraw/zinc/27/15/93/582271593.db2.gz FPAMXPXGTGJNBD-QWRGUYRKSA-N 1 2 276.358 -1.121 20 0 CAADLO C[N@H+]1CCO[C@H](CS(=O)(=O)N2CC=C[C@H]2CO)C1 ZINC000882787078 582271594 /nfs/dbraw/zinc/27/15/94/582271594.db2.gz FPAMXPXGTGJNBD-QWRGUYRKSA-N 1 2 276.358 -1.121 20 0 CAADLO CC[N@@H+]1CCOC[C@H]1C(=O)N1CC[C@](O)(C(=O)OC)C1 ZINC000882853873 582271848 /nfs/dbraw/zinc/27/18/48/582271848.db2.gz UMJRHAZUOCKNFV-GXFFZTMASA-N 1 2 286.328 -1.157 20 0 CAADLO CC[N@H+]1CCOC[C@H]1C(=O)N1CC[C@](O)(C(=O)OC)C1 ZINC000882853873 582271849 /nfs/dbraw/zinc/27/18/49/582271849.db2.gz UMJRHAZUOCKNFV-GXFFZTMASA-N 1 2 286.328 -1.157 20 0 CAADLO CCn1cc(CN2CC[NH+](CC(N)=O)CC2)nn1 ZINC000883996108 582272653 /nfs/dbraw/zinc/27/26/53/582272653.db2.gz JSHCULAVNXERAB-UHFFFAOYSA-N 1 2 252.322 -1.099 20 0 CAADLO CCN(CC)C(=O)Cn1cc(C[NH+](CCO)CCO)nn1 ZINC000883999697 582272713 /nfs/dbraw/zinc/27/27/13/582272713.db2.gz PWCIYYKOYDTMIB-UHFFFAOYSA-N 1 2 299.375 -1.067 20 0 CAADLO O=C(NCCN1CCNC1=O)NCC[NH+]1CCOCC1 ZINC000884040043 582272998 /nfs/dbraw/zinc/27/29/98/582272998.db2.gz IDRQIDZTAQCUHX-UHFFFAOYSA-N 1 2 285.348 -1.357 20 0 CAADLO C[C@@H]1C[N@H+](CCOC(=O)c2cn(CC(N)=O)nn2)CCO1 ZINC000800174849 582273130 /nfs/dbraw/zinc/27/31/30/582273130.db2.gz GUEDJZQFBGWDOT-SECBINFHSA-N 1 2 297.315 -1.359 20 0 CAADLO C[C@@H]1C[N@@H+](CCOC(=O)c2cn(CC(N)=O)nn2)CCO1 ZINC000800174849 582273132 /nfs/dbraw/zinc/27/31/32/582273132.db2.gz GUEDJZQFBGWDOT-SECBINFHSA-N 1 2 297.315 -1.359 20 0 CAADLO C[C@H]1C[N@H+](CCOC(=O)c2cn(CC(N)=O)nn2)CCO1 ZINC000800174854 582273176 /nfs/dbraw/zinc/27/31/76/582273176.db2.gz GUEDJZQFBGWDOT-VIFPVBQESA-N 1 2 297.315 -1.359 20 0 CAADLO C[C@H]1C[N@@H+](CCOC(=O)c2cn(CC(N)=O)nn2)CCO1 ZINC000800174854 582273177 /nfs/dbraw/zinc/27/31/77/582273177.db2.gz GUEDJZQFBGWDOT-VIFPVBQESA-N 1 2 297.315 -1.359 20 0 CAADLO C[C@H]1C[N@H+](CCOC(=O)C[C@@H]2NC(=O)NC2=O)CCO1 ZINC000800192606 582273328 /nfs/dbraw/zinc/27/33/28/582273328.db2.gz FGQMJKYVOPAJSS-IUCAKERBSA-N 1 2 285.300 -1.152 20 0 CAADLO C[C@H]1C[N@@H+](CCOC(=O)C[C@@H]2NC(=O)NC2=O)CCO1 ZINC000800192606 582273329 /nfs/dbraw/zinc/27/33/29/582273329.db2.gz FGQMJKYVOPAJSS-IUCAKERBSA-N 1 2 285.300 -1.152 20 0 CAADLO CC[N@@H+]1CCOC[C@@H]1C(=O)N1CC2(C1)NC(=O)NC2=O ZINC000889304333 582273522 /nfs/dbraw/zinc/27/35/22/582273522.db2.gz ASXJYOFLFSLPBU-MRVPVSSYSA-N 1 2 282.300 -1.873 20 0 CAADLO CC[N@H+]1CCOC[C@@H]1C(=O)N1CC2(C1)NC(=O)NC2=O ZINC000889304333 582273523 /nfs/dbraw/zinc/27/35/23/582273523.db2.gz ASXJYOFLFSLPBU-MRVPVSSYSA-N 1 2 282.300 -1.873 20 0 CAADLO CC[N@@H+]1CCOC[C@H]1C(=O)N1CC2(C1)NC(=O)NC2=O ZINC000889304334 582273544 /nfs/dbraw/zinc/27/35/44/582273544.db2.gz ASXJYOFLFSLPBU-QMMMGPOBSA-N 1 2 282.300 -1.873 20 0 CAADLO CC[N@H+]1CCOC[C@H]1C(=O)N1CC2(C1)NC(=O)NC2=O ZINC000889304334 582273545 /nfs/dbraw/zinc/27/35/45/582273545.db2.gz ASXJYOFLFSLPBU-QMMMGPOBSA-N 1 2 282.300 -1.873 20 0 CAADLO CN([C@@H]1COC[C@H]1O)S(=O)(=O)C[C@H]1C[N@H+](C)CCO1 ZINC000885586365 582277327 /nfs/dbraw/zinc/27/73/27/582277327.db2.gz ZPZQVJHSQJQWKW-GMTAPVOTSA-N 1 2 294.373 -1.662 20 0 CAADLO CN([C@@H]1COC[C@H]1O)S(=O)(=O)C[C@H]1C[N@@H+](C)CCO1 ZINC000885586365 582277328 /nfs/dbraw/zinc/27/73/28/582277328.db2.gz ZPZQVJHSQJQWKW-GMTAPVOTSA-N 1 2 294.373 -1.662 20 0 CAADLO C[C@](O)(C[NH+]1CCN(S(N)(=O)=O)CC1)C(F)F ZINC000886005599 582278272 /nfs/dbraw/zinc/27/82/72/582278272.db2.gz FMERASGVRZDAAL-QMMMGPOBSA-N 1 2 273.305 -1.176 20 0 CAADLO CNS(=O)(=O)CC[N@@H+]1CC[C@H](NC(=O)OC)C1 ZINC000886848537 582279135 /nfs/dbraw/zinc/27/91/35/582279135.db2.gz GZYWDZXAKODUBA-QMMMGPOBSA-N 1 2 265.335 -1.034 20 0 CAADLO CNS(=O)(=O)CC[N@H+]1CC[C@H](NC(=O)OC)C1 ZINC000886848537 582279136 /nfs/dbraw/zinc/27/91/36/582279136.db2.gz GZYWDZXAKODUBA-QMMMGPOBSA-N 1 2 265.335 -1.034 20 0 CAADLO COC(=O)N[C@H]1CC[N@H+](CC(=O)N2CCNC(=O)C2)C1 ZINC000886868061 582279177 /nfs/dbraw/zinc/27/91/77/582279177.db2.gz UVSNYJFOXIKGJI-VIFPVBQESA-N 1 2 284.316 -1.625 20 0 CAADLO COC(=O)N[C@H]1CC[N@@H+](CC(=O)N2CCNC(=O)C2)C1 ZINC000886868061 582279178 /nfs/dbraw/zinc/27/91/78/582279178.db2.gz UVSNYJFOXIKGJI-VIFPVBQESA-N 1 2 284.316 -1.625 20 0 CAADLO COC(=O)N[C@H]1CC[N@H+](CCNS(C)(=O)=O)C1 ZINC000886861809 582279204 /nfs/dbraw/zinc/27/92/04/582279204.db2.gz NANMVCRCQCTQAA-QMMMGPOBSA-N 1 2 265.335 -1.034 20 0 CAADLO COC(=O)N[C@H]1CC[N@@H+](CCNS(C)(=O)=O)C1 ZINC000886861809 582279205 /nfs/dbraw/zinc/27/92/05/582279205.db2.gz NANMVCRCQCTQAA-QMMMGPOBSA-N 1 2 265.335 -1.034 20 0 CAADLO CNC(=O)NC(=O)C[N@@H+]1CC[C@H](NC(=O)OC)C1 ZINC000886867673 582279217 /nfs/dbraw/zinc/27/92/17/582279217.db2.gz LBYXSEZDERSLMK-ZETCQYMHSA-N 1 2 258.278 -1.128 20 0 CAADLO CNC(=O)NC(=O)C[N@H+]1CC[C@H](NC(=O)OC)C1 ZINC000886867673 582279218 /nfs/dbraw/zinc/27/92/18/582279218.db2.gz LBYXSEZDERSLMK-ZETCQYMHSA-N 1 2 258.278 -1.128 20 0 CAADLO COC(=O)CNC(=O)C[N@@H+]1CC[C@H](NC(=O)OC)C1 ZINC000886865981 582279252 /nfs/dbraw/zinc/27/92/52/582279252.db2.gz ZJUKNKOOFUVTLF-QMMMGPOBSA-N 1 2 273.289 -1.294 20 0 CAADLO COC(=O)CNC(=O)C[N@H+]1CC[C@H](NC(=O)OC)C1 ZINC000886865981 582279254 /nfs/dbraw/zinc/27/92/54/582279254.db2.gz ZJUKNKOOFUVTLF-QMMMGPOBSA-N 1 2 273.289 -1.294 20 0 CAADLO COC(=O)N[C@H]1CC[N@@H+]([C@H]2CC(=O)N(CCCO)C2=O)C1 ZINC000887306339 582280874 /nfs/dbraw/zinc/28/08/74/582280874.db2.gz PYZAMZTXVWKNSC-UWVGGRQHSA-N 1 2 299.327 -1.073 20 0 CAADLO COC(=O)N[C@H]1CC[N@H+]([C@H]2CC(=O)N(CCCO)C2=O)C1 ZINC000887306339 582280875 /nfs/dbraw/zinc/28/08/75/582280875.db2.gz PYZAMZTXVWKNSC-UWVGGRQHSA-N 1 2 299.327 -1.073 20 0 CAADLO CC[N@@H+]1CCOC[C@H]1C(=O)NCCCc1nnnn1C ZINC000890091669 582281671 /nfs/dbraw/zinc/28/16/71/582281671.db2.gz MLCZJKQCMRWXLF-JTQLQIEISA-N 1 2 282.348 -1.020 20 0 CAADLO CC[N@H+]1CCOC[C@H]1C(=O)NCCCc1nnnn1C ZINC000890091669 582281672 /nfs/dbraw/zinc/28/16/72/582281672.db2.gz MLCZJKQCMRWXLF-JTQLQIEISA-N 1 2 282.348 -1.020 20 0 CAADLO CCN1CCN(CC(=O)NCc2cn(C)c[nH+]2)C(=O)C1=O ZINC000890117626 582281693 /nfs/dbraw/zinc/28/16/93/582281693.db2.gz VKTGIYZPRPFKPB-UHFFFAOYSA-N 1 2 293.327 -1.273 20 0 CAADLO CNC(=O)C[N@@H+]1CCCN(C(=O)CC(N)=O)CC1 ZINC000980872107 616603488 /nfs/dbraw/zinc/60/34/88/616603488.db2.gz AZDYBZGXEUKODM-UHFFFAOYSA-N 1 2 256.306 -1.858 20 0 CAADLO CNC(=O)C[N@H+]1CCCN(C(=O)CC(N)=O)CC1 ZINC000980872107 616603491 /nfs/dbraw/zinc/60/34/91/616603491.db2.gz AZDYBZGXEUKODM-UHFFFAOYSA-N 1 2 256.306 -1.858 20 0 CAADLO CNC(=O)C[N@@H+]1C[C@H](NC(=O)C(N)=O)C(C)(C)C1 ZINC000974987094 616635328 /nfs/dbraw/zinc/63/53/28/616635328.db2.gz SAWBUQCVQRNAFB-ZETCQYMHSA-N 1 2 256.306 -1.956 20 0 CAADLO CNC(=O)C[N@H+]1C[C@H](NC(=O)C(N)=O)C(C)(C)C1 ZINC000974987094 616635330 /nfs/dbraw/zinc/63/53/30/616635330.db2.gz SAWBUQCVQRNAFB-ZETCQYMHSA-N 1 2 256.306 -1.956 20 0 CAADLO CSCC(=O)N1C[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H](O)C1 ZINC000968452728 617228756 /nfs/dbraw/zinc/22/87/56/617228756.db2.gz OYQJVLLIIAMZCP-ZJUUUORDSA-N 1 2 298.368 -1.066 20 0 CAADLO CC(=O)N1CC[C@H](C(=O)N2CC[NH+](CCO)CC2)C1 ZINC000957490886 613522632 /nfs/dbraw/zinc/52/26/32/613522632.db2.gz GMEWCHCDCLQISU-LBPRGKRZSA-N 1 2 269.345 -1.009 20 0 CAADLO CC(=O)N1CC[C@H]([NH+]2CCN(C(=O)CC(N)=O)CC2)C1 ZINC000956584806 613534533 /nfs/dbraw/zinc/53/45/33/613534533.db2.gz AYZGXRZRMDIZFI-NSHDSACASA-N 1 2 282.344 -1.373 20 0 CAADLO CC(=O)N1C[C@@H](NC(=O)Cc2c[nH]c[nH+]2)[C@@H](O)C1 ZINC000970950073 613658127 /nfs/dbraw/zinc/65/81/27/613658127.db2.gz COAHNELXMQWLDF-ZJUUUORDSA-N 1 2 252.274 -1.340 20 0 CAADLO CC(=O)N1CC(C(=O)N2CCC[N@@H+]([C@H](C)C(N)=O)CC2)C1 ZINC000981054681 613759173 /nfs/dbraw/zinc/75/91/73/613759173.db2.gz LWUWGPZTORBDQW-SNVBAGLBSA-N 1 2 296.371 -1.127 20 0 CAADLO CC(=O)N1CC(C(=O)N2CCC[N@H+]([C@H](C)C(N)=O)CC2)C1 ZINC000981054681 613759174 /nfs/dbraw/zinc/75/91/74/613759174.db2.gz LWUWGPZTORBDQW-SNVBAGLBSA-N 1 2 296.371 -1.127 20 0 CAADLO CC(=O)NC[C@@H]1C[N@H+](Cc2cn(C)nn2)C[C@H]1O ZINC000957786997 613797809 /nfs/dbraw/zinc/79/78/09/613797809.db2.gz BKEWPFBQIIMTJZ-MWLCHTKSSA-N 1 2 253.306 -1.256 20 0 CAADLO CC(=O)NC[C@@H]1C[N@@H+](Cc2cn(C)nn2)C[C@H]1O ZINC000957786997 613797812 /nfs/dbraw/zinc/79/78/12/613797812.db2.gz BKEWPFBQIIMTJZ-MWLCHTKSSA-N 1 2 253.306 -1.256 20 0 CAADLO CC(=O)N1CCC[C@@H]1C(=O)N[C@@H](C)C1C[NH+](CC(N)=O)C1 ZINC000970946137 613855089 /nfs/dbraw/zinc/85/50/89/613855089.db2.gz SNXXKPUUBOLSGI-JOYOIKCWSA-N 1 2 296.371 -1.081 20 0 CAADLO CC(=O)N1CCC[C@@H]1C(=O)N[C@H](C)C1C[NH+](CC(N)=O)C1 ZINC000970946136 613855405 /nfs/dbraw/zinc/85/54/05/613855405.db2.gz SNXXKPUUBOLSGI-BXKDBHETSA-N 1 2 296.371 -1.081 20 0 CAADLO CC(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](CC(N)=O)C1 ZINC000970769521 613875303 /nfs/dbraw/zinc/87/53/03/613875303.db2.gz SNXXKPUUBOLSGI-CABZTGNLSA-N 1 2 296.371 -1.081 20 0 CAADLO CC(=O)N1CCC[C@H]1C(=O)N[C@H](C)C1C[NH+](CC(N)=O)C1 ZINC000970769522 613875447 /nfs/dbraw/zinc/87/54/47/613875447.db2.gz SNXXKPUUBOLSGI-SKDRFNHKSA-N 1 2 296.371 -1.081 20 0 CAADLO CC(=O)NC[C@H]1C[N@H+](CCS(C)(=O)=O)C[C@H]1O ZINC000957780656 613928325 /nfs/dbraw/zinc/92/83/25/613928325.db2.gz VVAVLYFCRRWBHG-VHSXEESVSA-N 1 2 264.347 -1.540 20 0 CAADLO CC(=O)NC[C@H]1C[N@@H+](CCS(C)(=O)=O)C[C@H]1O ZINC000957780656 613928326 /nfs/dbraw/zinc/92/83/26/613928326.db2.gz VVAVLYFCRRWBHG-VHSXEESVSA-N 1 2 264.347 -1.540 20 0 CAADLO CC(=O)NC[C@@H]1[C@H]2C[N@H+](Cc3nc(=O)n(C)[nH]3)C[C@H]21 ZINC000977675131 613939502 /nfs/dbraw/zinc/93/95/02/613939502.db2.gz JIHYWUPXVURILW-OWUUHHOZSA-N 1 2 265.317 -1.078 20 0 CAADLO CC(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3nc(=O)n(C)[nH]3)C[C@H]21 ZINC000977675131 613939504 /nfs/dbraw/zinc/93/95/04/613939504.db2.gz JIHYWUPXVURILW-OWUUHHOZSA-N 1 2 265.317 -1.078 20 0 CAADLO CC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCNC(=O)C2)CC[C@@H]1C ZINC000964508815 614048214 /nfs/dbraw/zinc/04/82/14/614048214.db2.gz CKYVJXXBTAWSST-CMPLNLGQSA-N 1 2 296.371 -1.209 20 0 CAADLO CC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCNC(=O)C2)CC[C@@H]1C ZINC000964508815 614048216 /nfs/dbraw/zinc/04/82/16/614048216.db2.gz CKYVJXXBTAWSST-CMPLNLGQSA-N 1 2 296.371 -1.209 20 0 CAADLO CC(C)(C)n1nnnc1C[NH2+][C@@H]1CCN(C(=O)C(N)=O)C1 ZINC000969778024 614075181 /nfs/dbraw/zinc/07/51/81/614075181.db2.gz UFEGUXROUPJGCJ-MRVPVSSYSA-N 1 2 295.347 -1.396 20 0 CAADLO CC(=O)N[C@H]1C[N@@H+](CC(=O)N2CCNC(=O)C2)CC[C@H]1C ZINC000964508818 614168909 /nfs/dbraw/zinc/16/89/09/614168909.db2.gz CKYVJXXBTAWSST-PWSUYJOCSA-N 1 2 296.371 -1.209 20 0 CAADLO CC(=O)N[C@H]1C[N@H+](CC(=O)N2CCNC(=O)C2)CC[C@H]1C ZINC000964508818 614168910 /nfs/dbraw/zinc/16/89/10/614168910.db2.gz CKYVJXXBTAWSST-PWSUYJOCSA-N 1 2 296.371 -1.209 20 0 CAADLO CC(C)(C(=O)N1CC[C@@H](NC(=O)C(N)=O)C1)c1c[nH+]c[nH]1 ZINC000942301871 614292745 /nfs/dbraw/zinc/29/27/45/614292745.db2.gz CXZUXWDEUADLBW-MRVPVSSYSA-N 1 2 293.327 -1.110 20 0 CAADLO CC(C)(C(N)=O)C(=O)N1CCC[N@H+](CC(N)=O)CC1 ZINC000981384914 614309653 /nfs/dbraw/zinc/30/96/53/614309653.db2.gz FMKXCYZDVMJNEG-UHFFFAOYSA-N 1 2 270.333 -1.483 20 0 CAADLO CC(C)(C(N)=O)C(=O)N1CCC[N@@H+](CC(N)=O)CC1 ZINC000981384914 614309656 /nfs/dbraw/zinc/30/96/56/614309656.db2.gz FMKXCYZDVMJNEG-UHFFFAOYSA-N 1 2 270.333 -1.483 20 0 CAADLO CCCn1nnnc1C[NH2+][C@@H]1CCN(C(=O)C(N)=O)C1 ZINC000969785713 614557130 /nfs/dbraw/zinc/55/71/30/614557130.db2.gz OUAHMDOALWZFCN-MRVPVSSYSA-N 1 2 281.320 -1.741 20 0 CAADLO CC1(C)C[N@H+](CC(=O)N2CCCC2)C[C@@H]1NC(=O)C(N)=O ZINC000974984873 614610513 /nfs/dbraw/zinc/61/05/13/614610513.db2.gz NWUULEPOTSLBBT-JTQLQIEISA-N 1 2 296.371 -1.079 20 0 CAADLO CC1(C)C[N@@H+](CC(=O)N2CCCC2)C[C@@H]1NC(=O)C(N)=O ZINC000974984873 614610516 /nfs/dbraw/zinc/61/05/16/614610516.db2.gz NWUULEPOTSLBBT-JTQLQIEISA-N 1 2 296.371 -1.079 20 0 CAADLO CC1(C)C[N@H+](CC(=O)NC2CC2)C[C@@H]1NC(=O)C(N)=O ZINC000974987040 614611141 /nfs/dbraw/zinc/61/11/41/614611141.db2.gz RLWCMWMJUVNYOK-VIFPVBQESA-N 1 2 282.344 -1.423 20 0 CAADLO CC1(C)C[N@@H+](CC(=O)NC2CC2)C[C@@H]1NC(=O)C(N)=O ZINC000974987040 614611144 /nfs/dbraw/zinc/61/11/44/614611144.db2.gz RLWCMWMJUVNYOK-VIFPVBQESA-N 1 2 282.344 -1.423 20 0 CAADLO CC1(C)C[N@H+](CC(N)=O)C[C@@H]1NC(=O)[C@H]1CCC(=O)N1 ZINC000972863197 614614535 /nfs/dbraw/zinc/61/45/35/614614535.db2.gz YKFXVOSTDGSZGA-BDAKNGLRSA-N 1 2 282.344 -1.423 20 0 CAADLO CC1(C)C[N@@H+](CC(N)=O)C[C@@H]1NC(=O)[C@H]1CCC(=O)N1 ZINC000972863197 614614537 /nfs/dbraw/zinc/61/45/37/614614537.db2.gz YKFXVOSTDGSZGA-BDAKNGLRSA-N 1 2 282.344 -1.423 20 0 CAADLO CC1(C)C[N@H+](CC(N)=O)C[C@@H]1NC(=O)Cc1nc[nH]n1 ZINC000977489174 614614665 /nfs/dbraw/zinc/61/46/65/614614665.db2.gz UGMUTEJFGIGTIB-QMMMGPOBSA-N 1 2 280.332 -1.341 20 0 CAADLO CC1(C)C[N@@H+](CC(N)=O)C[C@@H]1NC(=O)Cc1nc[nH]n1 ZINC000977489174 614614667 /nfs/dbraw/zinc/61/46/67/614614667.db2.gz UGMUTEJFGIGTIB-QMMMGPOBSA-N 1 2 280.332 -1.341 20 0 CAADLO CC1(C)C[N@H+](CC(N)=O)C[C@@H]1NC(=O)[C@H]1COCCO1 ZINC000972816297 614614673 /nfs/dbraw/zinc/61/46/73/614614673.db2.gz ANGGGWJIVMFAEO-ZJUUUORDSA-N 1 2 285.344 -1.286 20 0 CAADLO CC1(C)C[N@@H+](CC(N)=O)C[C@@H]1NC(=O)[C@H]1COCCO1 ZINC000972816297 614614675 /nfs/dbraw/zinc/61/46/75/614614675.db2.gz ANGGGWJIVMFAEO-ZJUUUORDSA-N 1 2 285.344 -1.286 20 0 CAADLO CC1(C)C[N@H+](CC(N)=O)C[C@@H]1NC(=O)[C@@H]1CCCNC1=O ZINC000974718563 614614717 /nfs/dbraw/zinc/61/47/17/614614717.db2.gz VOVVDKWWDKUHOJ-ZJUUUORDSA-N 1 2 296.371 -1.176 20 0 CAADLO CC1(C)C[N@@H+](CC(N)=O)C[C@@H]1NC(=O)[C@@H]1CCCNC1=O ZINC000974718563 614614720 /nfs/dbraw/zinc/61/47/20/614614720.db2.gz VOVVDKWWDKUHOJ-ZJUUUORDSA-N 1 2 296.371 -1.176 20 0 CAADLO CC1(C)C[N@H+](CC(N)=O)C[C@@H]1NC(=O)CN1CN=NC1=O ZINC000974474344 614614781 /nfs/dbraw/zinc/61/47/81/614614781.db2.gz YXQLBHOIEKIAQG-QMMMGPOBSA-N 1 2 296.331 -1.704 20 0 CAADLO CC1(C)C[N@@H+](CC(N)=O)C[C@@H]1NC(=O)CN1CN=NC1=O ZINC000974474344 614614783 /nfs/dbraw/zinc/61/47/83/614614783.db2.gz YXQLBHOIEKIAQG-QMMMGPOBSA-N 1 2 296.331 -1.704 20 0 CAADLO CC1(C)C[N@H+](CC(N)=O)C[C@@H]1NC(=O)C[C@H]1CCC(=O)N1 ZINC000977354837 614615000 /nfs/dbraw/zinc/61/50/00/614615000.db2.gz ZZPXELBTPHLBOJ-ZJUUUORDSA-N 1 2 296.371 -1.033 20 0 CAADLO CC1(C)C[N@@H+](CC(N)=O)C[C@@H]1NC(=O)C[C@H]1CCC(=O)N1 ZINC000977354837 614615004 /nfs/dbraw/zinc/61/50/04/614615004.db2.gz ZZPXELBTPHLBOJ-ZJUUUORDSA-N 1 2 296.371 -1.033 20 0 CAADLO CC1(C)C[N@H+](CC(N)=O)C[C@@H]1NC(=O)Cn1cncn1 ZINC000977572934 614615159 /nfs/dbraw/zinc/61/51/59/614615159.db2.gz ZNGORNHETNABSK-VIFPVBQESA-N 1 2 280.332 -1.410 20 0 CAADLO CC1(C)C[N@@H+](CC(N)=O)C[C@@H]1NC(=O)Cn1cncn1 ZINC000977572934 614615160 /nfs/dbraw/zinc/61/51/60/614615160.db2.gz ZNGORNHETNABSK-VIFPVBQESA-N 1 2 280.332 -1.410 20 0 CAADLO CC1(C)C[N@H+](CC(N)=O)C[C@@H]1NC(=O)[C@H]1CCCNC1=O ZINC000974718546 614615229 /nfs/dbraw/zinc/61/52/29/614615229.db2.gz VOVVDKWWDKUHOJ-UWVGGRQHSA-N 1 2 296.371 -1.176 20 0 CAADLO CC1(C)C[N@@H+](CC(N)=O)C[C@@H]1NC(=O)[C@H]1CCCNC1=O ZINC000974718546 614615231 /nfs/dbraw/zinc/61/52/31/614615231.db2.gz VOVVDKWWDKUHOJ-UWVGGRQHSA-N 1 2 296.371 -1.176 20 0 CAADLO CC1(C)C[N@H+](CC(N)=O)C[C@@H]1NC(=O)[C@@H]1CCNC(=O)C1 ZINC000973015108 614615247 /nfs/dbraw/zinc/61/52/47/614615247.db2.gz GJNNXPZLLUGROZ-ZJUUUORDSA-N 1 2 296.371 -1.176 20 0 CAADLO CC1(C)C[N@@H+](CC(N)=O)C[C@@H]1NC(=O)[C@@H]1CCNC(=O)C1 ZINC000973015108 614615249 /nfs/dbraw/zinc/61/52/49/614615249.db2.gz GJNNXPZLLUGROZ-ZJUUUORDSA-N 1 2 296.371 -1.176 20 0 CAADLO CC1(C)C[N@H+](CC(N)=O)C[C@@H]1NC(=O)[C@]1(C)CNC(=O)C1 ZINC000974870468 614616063 /nfs/dbraw/zinc/61/60/63/614616063.db2.gz VGATVXLLAVBCRO-XPTSAGLGSA-N 1 2 296.371 -1.176 20 0 CAADLO CC1(C)C[N@@H+](CC(N)=O)C[C@@H]1NC(=O)[C@]1(C)CNC(=O)C1 ZINC000974870468 614616065 /nfs/dbraw/zinc/61/60/65/614616065.db2.gz VGATVXLLAVBCRO-XPTSAGLGSA-N 1 2 296.371 -1.176 20 0 CAADLO CC1(C)C[N@H+](CC(N)=O)C[C@H]1NC(=O)CN1CN=NC1=O ZINC000974474341 614616639 /nfs/dbraw/zinc/61/66/39/614616639.db2.gz YXQLBHOIEKIAQG-MRVPVSSYSA-N 1 2 296.331 -1.704 20 0 CAADLO CC1(C)C[N@@H+](CC(N)=O)C[C@H]1NC(=O)CN1CN=NC1=O ZINC000974474341 614616641 /nfs/dbraw/zinc/61/66/41/614616641.db2.gz YXQLBHOIEKIAQG-MRVPVSSYSA-N 1 2 296.331 -1.704 20 0 CAADLO CC1(C)C[N@H+](CC(N)=O)C[C@H]1NC(=O)[C@@H]1CCCNC1=O ZINC000974718531 614616939 /nfs/dbraw/zinc/61/69/39/614616939.db2.gz VOVVDKWWDKUHOJ-NXEZZACHSA-N 1 2 296.371 -1.176 20 0 CAADLO CC1(C)C[N@@H+](CC(N)=O)C[C@H]1NC(=O)[C@@H]1CCCNC1=O ZINC000974718531 614616942 /nfs/dbraw/zinc/61/69/42/614616942.db2.gz VOVVDKWWDKUHOJ-NXEZZACHSA-N 1 2 296.371 -1.176 20 0 CAADLO CC1(C)C[N@H+](CC(N)=O)C[C@H]1NC(=O)[C@@H]1CNC(=O)N1 ZINC000974993837 614616948 /nfs/dbraw/zinc/61/69/48/614616948.db2.gz JCAVZXBNLFZSNF-JGVFFNPUSA-N 1 2 283.332 -2.020 20 0 CAADLO CC1(C)C[N@@H+](CC(N)=O)C[C@H]1NC(=O)[C@@H]1CNC(=O)N1 ZINC000974993837 614616952 /nfs/dbraw/zinc/61/69/52/614616952.db2.gz JCAVZXBNLFZSNF-JGVFFNPUSA-N 1 2 283.332 -2.020 20 0 CAADLO CC1(C)C[N@H+](CC(N)=O)C[C@H]1NC(=O)[C@@H]1CCC(=O)N1 ZINC000977490180 614616972 /nfs/dbraw/zinc/61/69/72/614616972.db2.gz YKFXVOSTDGSZGA-DTWKUNHWSA-N 1 2 282.344 -1.423 20 0 CAADLO CC1(C)C[N@@H+](CC(N)=O)C[C@H]1NC(=O)[C@@H]1CCC(=O)N1 ZINC000977490180 614616974 /nfs/dbraw/zinc/61/69/74/614616974.db2.gz YKFXVOSTDGSZGA-DTWKUNHWSA-N 1 2 282.344 -1.423 20 0 CAADLO CC1(C)C[N@H+](CC(N)=O)C[C@H]1NC(=O)Cn1ncnn1 ZINC000974603785 614617053 /nfs/dbraw/zinc/61/70/53/614617053.db2.gz ODZMIHHWEWSQGR-MRVPVSSYSA-N 1 2 281.320 -2.015 20 0 CAADLO CC1(C)C[N@@H+](CC(N)=O)C[C@H]1NC(=O)Cn1ncnn1 ZINC000974603785 614617056 /nfs/dbraw/zinc/61/70/56/614617056.db2.gz ODZMIHHWEWSQGR-MRVPVSSYSA-N 1 2 281.320 -2.015 20 0 CAADLO CC1(C)C[N@H+](CC(N)=O)C[C@H]1NC(=O)CN1CCCC1=O ZINC000972793480 614617104 /nfs/dbraw/zinc/61/71/04/614617104.db2.gz IISKUBSVVNYVEA-SNVBAGLBSA-N 1 2 296.371 -1.079 20 0 CAADLO CC1(C)C[N@@H+](CC(N)=O)C[C@H]1NC(=O)CN1CCCC1=O ZINC000972793480 614617107 /nfs/dbraw/zinc/61/71/07/614617107.db2.gz IISKUBSVVNYVEA-SNVBAGLBSA-N 1 2 296.371 -1.079 20 0 CAADLO CC1(C)C[N@H+](CC(N)=O)C[C@H]1NC(=O)C[C@@H]1CCC(=O)N1 ZINC000977354836 614617148 /nfs/dbraw/zinc/61/71/48/614617148.db2.gz ZZPXELBTPHLBOJ-VHSXEESVSA-N 1 2 296.371 -1.033 20 0 CAADLO CC1(C)C[N@@H+](CC(N)=O)C[C@H]1NC(=O)C[C@@H]1CCC(=O)N1 ZINC000977354836 614617151 /nfs/dbraw/zinc/61/71/51/614617151.db2.gz ZZPXELBTPHLBOJ-VHSXEESVSA-N 1 2 296.371 -1.033 20 0 CAADLO CC1(C)C[N@H+](CC(N)=O)C[C@H]1NC(=O)c1nccnc1N ZINC000972970433 614618832 /nfs/dbraw/zinc/61/88/32/614618832.db2.gz LZKJQFCLTFVKAT-MRVPVSSYSA-N 1 2 292.343 -1.016 20 0 CAADLO CC1(C)C[N@@H+](CC(N)=O)C[C@H]1NC(=O)c1nccnc1N ZINC000972970433 614618835 /nfs/dbraw/zinc/61/88/35/614618835.db2.gz LZKJQFCLTFVKAT-MRVPVSSYSA-N 1 2 292.343 -1.016 20 0 CAADLO CCN(C(=O)[C@@H]1CCNC1=O)C1C[NH+](CCO)C1 ZINC000951137092 614627565 /nfs/dbraw/zinc/62/75/65/614627565.db2.gz CMFAGISWNSMERU-SNVBAGLBSA-N 1 2 255.318 -1.353 20 0 CAADLO CCN(C(=O)[C@@H]1C[N@H+](C)CCO1)C1CN([C@@H](C)C(N)=O)C1 ZINC000949830273 614635709 /nfs/dbraw/zinc/63/57/09/614635709.db2.gz HTEDYKWIFPCHCW-JQWIXIFHSA-N 1 2 298.387 -1.277 20 0 CAADLO CCN(C(=O)[C@@H]1C[N@@H+](C)CCO1)C1CN([C@@H](C)C(N)=O)C1 ZINC000949830273 614635710 /nfs/dbraw/zinc/63/57/10/614635710.db2.gz HTEDYKWIFPCHCW-JQWIXIFHSA-N 1 2 298.387 -1.277 20 0 CAADLO CCN(C(=O)[C@@H]1C[N@H+](C)CCO1)C1CN(CC(N)=O)C1 ZINC000949830394 614635724 /nfs/dbraw/zinc/63/57/24/614635724.db2.gz LVQFXAWEFVYQRS-NSHDSACASA-N 1 2 284.360 -1.665 20 0 CAADLO CCN(C(=O)[C@@H]1C[N@@H+](C)CCO1)C1CN(CC(N)=O)C1 ZINC000949830394 614635725 /nfs/dbraw/zinc/63/57/25/614635725.db2.gz LVQFXAWEFVYQRS-NSHDSACASA-N 1 2 284.360 -1.665 20 0 CAADLO CCN(C(=O)[C@@H]1C[N@H+](C)CCO1)C1CN(C(=O)C(N)=O)C1 ZINC000967852054 614635878 /nfs/dbraw/zinc/63/58/78/614635878.db2.gz NIZRDBWAPCTOCG-JTQLQIEISA-N 1 2 298.343 -2.138 20 0 CAADLO CCN(C(=O)[C@@H]1C[N@@H+](C)CCO1)C1CN(C(=O)C(N)=O)C1 ZINC000967852054 614635879 /nfs/dbraw/zinc/63/58/79/614635879.db2.gz NIZRDBWAPCTOCG-JTQLQIEISA-N 1 2 298.343 -2.138 20 0 CAADLO CCN(C(=O)[C@@H]1CNC(=O)N1)C1C[NH+](CCOC)C1 ZINC000951583743 614637571 /nfs/dbraw/zinc/63/75/71/614637571.db2.gz IDLWMZCLPUUCSS-JTQLQIEISA-N 1 2 270.333 -1.153 20 0 CAADLO CC1(C)C[N@H+](CCO)C[C@H]1NC(=O)C1CS(=O)(=O)C1 ZINC000974621201 614664452 /nfs/dbraw/zinc/66/44/52/614664452.db2.gz MUSWFMLQKINKHN-SNVBAGLBSA-N 1 2 290.385 -1.150 20 0 CAADLO CC1(C)C[N@@H+](CCO)C[C@H]1NC(=O)C1CS(=O)(=O)C1 ZINC000974621201 614664454 /nfs/dbraw/zinc/66/44/54/614664454.db2.gz MUSWFMLQKINKHN-SNVBAGLBSA-N 1 2 290.385 -1.150 20 0 CAADLO CCN(C(=O)[C@H]1CC[C@@H](C(N)=O)O1)C1C[NH+](C[C@@H](C)O)C1 ZINC000951745909 614681291 /nfs/dbraw/zinc/68/12/91/614681291.db2.gz NXAPZOYIFPWTHT-ADEWGFFLSA-N 1 2 299.371 -1.067 20 0 CAADLO CCN(C(=O)[C@H]1CC[C@@H](C(N)=O)O1)C1C[NH+](CCO)C1 ZINC000951743034 614681528 /nfs/dbraw/zinc/68/15/28/614681528.db2.gz CJKGJHACOBCXDS-WDEREUQCSA-N 1 2 285.344 -1.456 20 0 CAADLO CC1(C)C[N@@H+]([C@@H]2CCNC2=O)C[C@@H]1NC(=O)C(N)=O ZINC000974999817 614682167 /nfs/dbraw/zinc/68/21/67/614682167.db2.gz VTDGOVBUCBFPQO-SFYZADRCSA-N 1 2 268.317 -1.813 20 0 CAADLO CC1(C)C[N@H+]([C@@H]2CCNC2=O)C[C@@H]1NC(=O)C(N)=O ZINC000974999817 614682169 /nfs/dbraw/zinc/68/21/69/614682169.db2.gz VTDGOVBUCBFPQO-SFYZADRCSA-N 1 2 268.317 -1.813 20 0 CAADLO CCN(C(=O)[C@H]1C[N@H+](C)CCO1)C1CN([C@H](C)C(N)=O)C1 ZINC000949830275 614684256 /nfs/dbraw/zinc/68/42/56/614684256.db2.gz HTEDYKWIFPCHCW-ZYHUDNBSSA-N 1 2 298.387 -1.277 20 0 CAADLO CCN(C(=O)[C@H]1C[N@@H+](C)CCO1)C1CN([C@H](C)C(N)=O)C1 ZINC000949830275 614684257 /nfs/dbraw/zinc/68/42/57/614684257.db2.gz HTEDYKWIFPCHCW-ZYHUDNBSSA-N 1 2 298.387 -1.277 20 0 CAADLO CCN(C(=O)[C@H]1C[N@H+](C)CCO1)C1CN([C@@H](C)C(N)=O)C1 ZINC000949830272 614684347 /nfs/dbraw/zinc/68/43/47/614684347.db2.gz HTEDYKWIFPCHCW-CMPLNLGQSA-N 1 2 298.387 -1.277 20 0 CAADLO CCN(C(=O)[C@H]1C[N@@H+](C)CCO1)C1CN([C@@H](C)C(N)=O)C1 ZINC000949830272 614684349 /nfs/dbraw/zinc/68/43/49/614684349.db2.gz HTEDYKWIFPCHCW-CMPLNLGQSA-N 1 2 298.387 -1.277 20 0 CAADLO CCN(C(=O)[C@H]1CNC(=O)N1)C1C[NH+](CCOC)C1 ZINC000951583744 614685739 /nfs/dbraw/zinc/68/57/39/614685739.db2.gz IDLWMZCLPUUCSS-SNVBAGLBSA-N 1 2 270.333 -1.153 20 0 CAADLO CCN(C(=O)[C@H]1C[C@H]1C(N)=O)C1C[NH+](CCO)C1 ZINC000951754284 614694070 /nfs/dbraw/zinc/69/40/70/614694070.db2.gz VFKBEFXHKGMJNH-ZJUUUORDSA-N 1 2 255.318 -1.367 20 0 CAADLO CCN(C(=O)c1c[nH]c(=O)cn1)C1C[NH+](CCO)C1 ZINC000951560668 614705413 /nfs/dbraw/zinc/70/54/13/614705413.db2.gz JTBOPKFQGXCGIF-UHFFFAOYSA-N 1 2 266.301 -1.092 20 0 CAADLO CCN(C(=O)c1cn(C)c(=O)n1C)C1C[NH+](CCO)C1 ZINC000957434253 614758949 /nfs/dbraw/zinc/75/89/49/614758949.db2.gz PNUFUROJJDWLFR-UHFFFAOYSA-N 1 2 282.344 -1.138 20 0 CAADLO CCN(C(=O)c1cn(C)c(=O)cn1)C1C[NH+](CCO)C1 ZINC000950924025 614759350 /nfs/dbraw/zinc/75/93/50/614759350.db2.gz MMORYLCNALGLNR-UHFFFAOYSA-N 1 2 280.328 -1.081 20 0 CAADLO CCN(C(=O)c1cnnn1C)C1C[NH+](CCO)C1 ZINC000949995078 614778427 /nfs/dbraw/zinc/77/84/27/614778427.db2.gz JRBGODYGVNRUAJ-UHFFFAOYSA-N 1 2 253.306 -1.046 20 0 CAADLO CCN(C(=O)c1nnn(C)n1)C1C[NH+](C[C@@H](C)O)C1 ZINC000951186329 614800095 /nfs/dbraw/zinc/80/00/95/614800095.db2.gz DALSQPVBONJEEW-MRVPVSSYSA-N 1 2 268.321 -1.263 20 0 CAADLO CC[NH+]1CCN(C(=O)c2c[nH]nc2S(N)(=O)=O)CC1 ZINC000950416804 615153473 /nfs/dbraw/zinc/15/34/73/615153473.db2.gz GOMUNWPCSKMRDP-UHFFFAOYSA-N 1 2 287.345 -1.165 20 0 CAADLO CCN1CCOC[C@H]1C(=O)N[C@H](C)C1C[NH+](CC(N)=O)C1 ZINC000970000970 615167857 /nfs/dbraw/zinc/16/78/57/615167857.db2.gz OPWUWOAIVZUCRI-PWSUYJOCSA-N 1 2 298.387 -1.371 20 0 CAADLO CCN1C[C@H](C(=O)N[C@@H](C)C2C[NH+](CC(N)=O)C2)CC1=O ZINC000969799214 615390588 /nfs/dbraw/zinc/39/05/88/615390588.db2.gz VIRMOJKWHWYMKN-VHSXEESVSA-N 1 2 296.371 -1.223 20 0 CAADLO CC[C@@H]([NH2+][C@@H]1CCN(C(=O)Cc2ncn[nH]2)C1)C(N)=O ZINC000970447338 615537715 /nfs/dbraw/zinc/53/77/15/615537715.db2.gz LCKYLJZXYTWSSM-RKDXNWHRSA-N 1 2 280.332 -1.198 20 0 CAADLO CC[C@H](C(N)=O)[N@@H+]1CCCN(C(=O)c2nnn(C)n2)CC1 ZINC000981778010 615619341 /nfs/dbraw/zinc/61/93/41/615619341.db2.gz YUNQACIXXZDHLE-SECBINFHSA-N 1 2 295.347 -1.378 20 0 CAADLO CC[C@H](C(N)=O)[N@H+]1CCCN(C(=O)c2nnn(C)n2)CC1 ZINC000981778010 615619343 /nfs/dbraw/zinc/61/93/43/615619343.db2.gz YUNQACIXXZDHLE-SECBINFHSA-N 1 2 295.347 -1.378 20 0 CAADLO CC[C@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ncn[nH]1 ZINC000962079566 615623022 /nfs/dbraw/zinc/62/30/22/615623022.db2.gz CFQOHZYZAVNVOJ-XAVMHZPKSA-N 1 2 278.316 -1.271 20 0 CAADLO CC[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ncn[nH]1 ZINC000962079566 615623024 /nfs/dbraw/zinc/62/30/24/615623024.db2.gz CFQOHZYZAVNVOJ-XAVMHZPKSA-N 1 2 278.316 -1.271 20 0 CAADLO CC[C@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1nc[nH]n1 ZINC000962079566 615623025 /nfs/dbraw/zinc/62/30/25/615623025.db2.gz CFQOHZYZAVNVOJ-XAVMHZPKSA-N 1 2 278.316 -1.271 20 0 CAADLO CC[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1nc[nH]n1 ZINC000962079566 615623026 /nfs/dbraw/zinc/62/30/26/615623026.db2.gz CFQOHZYZAVNVOJ-XAVMHZPKSA-N 1 2 278.316 -1.271 20 0 CAADLO CCn1nc(C)c(C[NH2+][C@@H]2CCN(C(=O)C(N)=O)C2)n1 ZINC000969786225 615665554 /nfs/dbraw/zinc/66/55/54/615665554.db2.gz WRYWRIPMESSWJR-SECBINFHSA-N 1 2 280.332 -1.218 20 0 CAADLO CCn1nncc1C(=O)N[C@@H](C)C1C[NH+](CC(N)=O)C1 ZINC000969609366 615748636 /nfs/dbraw/zinc/74/86/36/615748636.db2.gz RSGZMRXHJPARJU-QMMMGPOBSA-N 1 2 280.332 -1.167 20 0 CAADLO CN(C(=O)C(N)=O)C1CN(C(=O)CCc2c[nH+]cn2C)C1 ZINC000955158250 615774316 /nfs/dbraw/zinc/77/43/16/615774316.db2.gz LAOFHALCKQKYEP-UHFFFAOYSA-N 1 2 293.327 -1.493 20 0 CAADLO CN(C(=O)C(N)=O)C1CN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000955157853 615774775 /nfs/dbraw/zinc/77/47/75/615774775.db2.gz DKRLPBMGMOKZBI-UHFFFAOYSA-N 1 2 265.273 -1.893 20 0 CAADLO CN(C(=O)C(N)=O)C1CN(C(=O)Cn2cc[nH+]c2)C1 ZINC000955163596 615774915 /nfs/dbraw/zinc/77/49/15/615774915.db2.gz JZUCCVGORKUGGP-UHFFFAOYSA-N 1 2 265.273 -1.962 20 0 CAADLO CN(C(=O)C(N)=O)[C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC000938715831 615777040 /nfs/dbraw/zinc/77/70/40/615777040.db2.gz YUIQBUDFULIYIQ-SNVBAGLBSA-N 1 2 293.327 -1.113 20 0 CAADLO CN(C(=O)C(N)=O)[C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC000938715831 615777042 /nfs/dbraw/zinc/77/70/42/615777042.db2.gz YUIQBUDFULIYIQ-SNVBAGLBSA-N 1 2 293.327 -1.113 20 0 CAADLO CN(C(=O)C(N)=O)[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000984364333 615778252 /nfs/dbraw/zinc/77/82/52/615778252.db2.gz KQBPQNUVUSTQRK-JTQLQIEISA-N 1 2 293.327 -1.182 20 0 CAADLO CN(C(=O)C(N)=O)[C@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC000938941045 615779782 /nfs/dbraw/zinc/77/97/82/615779782.db2.gz RQATUGFTEHWANB-JTQLQIEISA-N 1 2 293.327 -1.182 20 0 CAADLO CN(C(=O)C[N@@H+]1CCCN(C(=O)C(N)=O)CC1)C1CC1 ZINC000981854069 615814833 /nfs/dbraw/zinc/81/48/33/615814833.db2.gz AJIOOVZBUGJVFQ-UHFFFAOYSA-N 1 2 282.344 -1.373 20 0 CAADLO CN(C(=O)C[N@H+]1CCCN(C(=O)C(N)=O)CC1)C1CC1 ZINC000981854069 615814834 /nfs/dbraw/zinc/81/48/34/615814834.db2.gz AJIOOVZBUGJVFQ-UHFFFAOYSA-N 1 2 282.344 -1.373 20 0 CAADLO CC[C@H]([NH2+][C@@H]1CCN(C(=O)Cc2ncn[nH]2)C1)C(N)=O ZINC000970447337 615821975 /nfs/dbraw/zinc/82/19/75/615821975.db2.gz LCKYLJZXYTWSSM-BDAKNGLRSA-N 1 2 280.332 -1.198 20 0 CAADLO CN(C(=O)Cc1c[nH+]c[nH]1)[C@@H]1CCCN(C(=O)C(N)=O)C1 ZINC000984578691 615826817 /nfs/dbraw/zinc/82/68/17/615826817.db2.gz QYVVQNSFPUVOCA-SNVBAGLBSA-N 1 2 293.327 -1.113 20 0 CAADLO CN(C(=O)Cc1c[nH+]cn1C)[C@H]1CCN(C(=O)C(N)=O)C1 ZINC000939368851 615827522 /nfs/dbraw/zinc/82/75/22/615827522.db2.gz CLSKXKQOOXHCPJ-VIFPVBQESA-N 1 2 293.327 -1.493 20 0 CAADLO CN(C(=O)Cc1[nH]cc[nH+]1)C1CCN(C(=O)C(N)=O)CC1 ZINC000954200359 615828920 /nfs/dbraw/zinc/82/89/20/615828920.db2.gz FZTJRKQULGKQNW-UHFFFAOYSA-N 1 2 293.327 -1.113 20 0 CAADLO CN(C(=O)Cc1[nH]cc[nH+]1)[C@@H]1CCCN(C(=O)C(N)=O)C1 ZINC000984572044 615829684 /nfs/dbraw/zinc/82/96/84/615829684.db2.gz LBUYXPSMPRMZQY-SECBINFHSA-N 1 2 293.327 -1.113 20 0 CAADLO CN(C(=O)Cn1cc[nH+]c1)C1CN(C(=O)CC(N)=O)C1 ZINC000954659298 615830495 /nfs/dbraw/zinc/83/04/95/615830495.db2.gz JTYQIBCTBMIYHV-UHFFFAOYSA-N 1 2 279.300 -1.572 20 0 CAADLO CN(C(=O)Cn1cc[nH+]c1)[C@H]1CCN(C(=O)C(N)=O)C1 ZINC000939389074 615830704 /nfs/dbraw/zinc/83/07/04/615830704.db2.gz CEFXMVMSDGJCDS-VIFPVBQESA-N 1 2 279.300 -1.572 20 0 CAADLO CN(C(=O)Cn1cc[nH+]c1)[C@H]1CN(C(=O)C(N)=O)C[C@@H]1O ZINC000958880983 615830710 /nfs/dbraw/zinc/83/07/10/615830710.db2.gz BSAACJLKZUPGPI-IUCAKERBSA-N 1 2 295.299 -2.602 20 0 CAADLO CCc1noc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C(N)=O)n1 ZINC000961663293 615838765 /nfs/dbraw/zinc/83/87/65/615838765.db2.gz XZLBXXRPPJPVCN-MTBHXBHISA-N 1 2 279.300 -1.336 20 0 CAADLO CCc1noc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C(N)=O)n1 ZINC000961663293 615838767 /nfs/dbraw/zinc/83/87/67/615838767.db2.gz XZLBXXRPPJPVCN-MTBHXBHISA-N 1 2 279.300 -1.336 20 0 CAADLO CN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C1CN(C(=O)C(N)=O)C1 ZINC000954640840 615867818 /nfs/dbraw/zinc/86/78/18/615867818.db2.gz MMWONPGEDFJHEF-RKDXNWHRSA-N 1 2 291.311 -1.332 20 0 CAADLO CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C1CN(C(=O)C(N)=O)C1 ZINC000954640840 615867819 /nfs/dbraw/zinc/86/78/19/615867819.db2.gz MMWONPGEDFJHEF-RKDXNWHRSA-N 1 2 291.311 -1.332 20 0 CAADLO CN(C(=O)c1nc[nH]n1)C1CN(C(=O)Cn2cc[nH+]c2)C1 ZINC000955021456 615938524 /nfs/dbraw/zinc/93/85/24/615938524.db2.gz OIMJTSKNMCSGBQ-UHFFFAOYSA-N 1 2 289.299 -1.016 20 0 CAADLO CN(C)C(=O)C[N@@H+]1CCCN(C(=O)C(N)=O)CC1 ZINC000981857106 615961195 /nfs/dbraw/zinc/96/11/95/615961195.db2.gz QLWHUCWLMACYBM-UHFFFAOYSA-N 1 2 256.306 -1.906 20 0 CAADLO CN(C)C(=O)C[N@H+]1CCCN(C(=O)C(N)=O)CC1 ZINC000981857106 615961198 /nfs/dbraw/zinc/96/11/98/615961198.db2.gz QLWHUCWLMACYBM-UHFFFAOYSA-N 1 2 256.306 -1.906 20 0 CAADLO CN(C)C(=O)C[N@@H+]1C[C@H](NC(=O)C(N)=O)C(C)(C)C1 ZINC000974984957 615964010 /nfs/dbraw/zinc/96/40/10/615964010.db2.gz ORSQKGARQLMMKS-QMMMGPOBSA-N 1 2 270.333 -1.614 20 0 CAADLO CN(C)C(=O)C[N@H+]1C[C@H](NC(=O)C(N)=O)C(C)(C)C1 ZINC000974984957 615964011 /nfs/dbraw/zinc/96/40/11/615964011.db2.gz ORSQKGARQLMMKS-QMMMGPOBSA-N 1 2 270.333 -1.614 20 0 CAADLO CN(C)C(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cn[nH]n1 ZINC000960737627 615966148 /nfs/dbraw/zinc/96/61/48/615966148.db2.gz FNVHGDSVRPIWFR-VROVMSAKSA-N 1 2 278.316 -1.447 20 0 CAADLO CN(C)C(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cn[nH]n1 ZINC000960737627 615966149 /nfs/dbraw/zinc/96/61/49/615966149.db2.gz FNVHGDSVRPIWFR-VROVMSAKSA-N 1 2 278.316 -1.447 20 0 CAADLO CN(C)C(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnn[nH]1 ZINC000960737627 615966150 /nfs/dbraw/zinc/96/61/50/615966150.db2.gz FNVHGDSVRPIWFR-VROVMSAKSA-N 1 2 278.316 -1.447 20 0 CAADLO CN(C)C(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnn[nH]1 ZINC000960737627 615966151 /nfs/dbraw/zinc/96/61/51/615966151.db2.gz FNVHGDSVRPIWFR-VROVMSAKSA-N 1 2 278.316 -1.447 20 0 CAADLO Cn1nncc1C[N@H+](C)C[C@H]1CCCN1C(=O)C(N)=O ZINC000960823502 616098234 /nfs/dbraw/zinc/09/82/34/616098234.db2.gz BAGIWTQLUMXVET-SECBINFHSA-N 1 2 280.332 -1.277 20 0 CAADLO Cn1nncc1C[N@@H+](C)C[C@H]1CCCN1C(=O)C(N)=O ZINC000960823502 616098236 /nfs/dbraw/zinc/09/82/36/616098236.db2.gz BAGIWTQLUMXVET-SECBINFHSA-N 1 2 280.332 -1.277 20 0 CAADLO Cn1nncc1C[N@H+](C)[C@H]1CCN(C(=O)CC(N)=O)C1 ZINC000971240176 616098468 /nfs/dbraw/zinc/09/84/68/616098468.db2.gz XMAUBUNHDYMLOS-VIFPVBQESA-N 1 2 280.332 -1.277 20 0 CAADLO Cn1nncc1C[N@@H+](C)[C@H]1CCN(C(=O)CC(N)=O)C1 ZINC000971240176 616098469 /nfs/dbraw/zinc/09/84/69/616098469.db2.gz XMAUBUNHDYMLOS-VIFPVBQESA-N 1 2 280.332 -1.277 20 0 CAADLO Cn1[nH]c(C[N@H+](C)[C@H]2CCN(C(=O)C(N)=O)C2)nc1=O ZINC000972212139 616101801 /nfs/dbraw/zinc/10/18/01/616101801.db2.gz JLTLDGAKDMAWJI-ZETCQYMHSA-N 1 2 282.304 -2.374 20 0 CAADLO Cn1[nH]c(C[N@@H+](C)[C@H]2CCN(C(=O)C(N)=O)C2)nc1=O ZINC000972212139 616101803 /nfs/dbraw/zinc/10/18/03/616101803.db2.gz JLTLDGAKDMAWJI-ZETCQYMHSA-N 1 2 282.304 -2.374 20 0 CAADLO CN1C(=O)CC[C@@H]1C(=O)N[C@@H]1C[N@H+](CC(N)=O)CC1(C)C ZINC000974946281 616128936 /nfs/dbraw/zinc/12/89/36/616128936.db2.gz LNZYTIVQHOGDGJ-NXEZZACHSA-N 1 2 296.371 -1.081 20 0 CAADLO CN1C(=O)CC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CC(N)=O)CC1(C)C ZINC000974946281 616128938 /nfs/dbraw/zinc/12/89/38/616128938.db2.gz LNZYTIVQHOGDGJ-NXEZZACHSA-N 1 2 296.371 -1.081 20 0 CAADLO CN1C(=O)CC[C@@H]1C(=O)N[C@H]1C[N@H+](CC(N)=O)CC1(C)C ZINC000974946282 616129306 /nfs/dbraw/zinc/12/93/06/616129306.db2.gz LNZYTIVQHOGDGJ-ZJUUUORDSA-N 1 2 296.371 -1.081 20 0 CAADLO CN1C(=O)CC[C@@H]1C(=O)N[C@H]1C[N@@H+](CC(N)=O)CC1(C)C ZINC000974946282 616129307 /nfs/dbraw/zinc/12/93/07/616129307.db2.gz LNZYTIVQHOGDGJ-ZJUUUORDSA-N 1 2 296.371 -1.081 20 0 CAADLO CN1C(=O)CC[C@H]1C(=O)N[C@@H]1C[N@H+](CC(N)=O)CC1(C)C ZINC000974928415 616132729 /nfs/dbraw/zinc/13/27/29/616132729.db2.gz LNZYTIVQHOGDGJ-VHSXEESVSA-N 1 2 296.371 -1.081 20 0 CAADLO CN1C(=O)CC[C@H]1C(=O)N[C@@H]1C[N@@H+](CC(N)=O)CC1(C)C ZINC000974928415 616132730 /nfs/dbraw/zinc/13/27/30/616132730.db2.gz LNZYTIVQHOGDGJ-VHSXEESVSA-N 1 2 296.371 -1.081 20 0 CAADLO CN1CCC[C@@H]([N@@H+]2CCCN(C(=O)C(N)=O)CC2)C1=O ZINC000981861825 616189235 /nfs/dbraw/zinc/18/92/35/616189235.db2.gz IWCGKTGOSHQFTD-SNVBAGLBSA-N 1 2 282.344 -1.373 20 0 CAADLO CN1CCC[C@@H]([N@H+]2CCCN(C(=O)C(N)=O)CC2)C1=O ZINC000981861825 616189236 /nfs/dbraw/zinc/18/92/36/616189236.db2.gz IWCGKTGOSHQFTD-SNVBAGLBSA-N 1 2 282.344 -1.373 20 0 CAADLO CN1CCC[C@H]([N@H+]2CCCN(C(=O)C(N)=O)CC2)C1=O ZINC000981861824 616206475 /nfs/dbraw/zinc/20/64/75/616206475.db2.gz IWCGKTGOSHQFTD-JTQLQIEISA-N 1 2 282.344 -1.373 20 0 CAADLO CN1CCC[C@H]([N@@H+]2CCCN(C(=O)C(N)=O)CC2)C1=O ZINC000981861824 616206474 /nfs/dbraw/zinc/20/64/74/616206474.db2.gz IWCGKTGOSHQFTD-JTQLQIEISA-N 1 2 282.344 -1.373 20 0 CAADLO CN1CCOC[C@H]1C(=O)N[C@@H]1C[N@H+](CC(N)=O)CC1(C)C ZINC000974484721 616249720 /nfs/dbraw/zinc/24/97/20/616249720.db2.gz MMKMOZIJVPXOIN-WDEREUQCSA-N 1 2 298.387 -1.371 20 0 CAADLO CN1CCOC[C@H]1C(=O)N[C@@H]1C[N@@H+](CC(N)=O)CC1(C)C ZINC000974484721 616249721 /nfs/dbraw/zinc/24/97/21/616249721.db2.gz MMKMOZIJVPXOIN-WDEREUQCSA-N 1 2 298.387 -1.371 20 0 CAADLO C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CN(CC(N)=O)CC2(C)C)C1 ZINC000972992543 616259742 /nfs/dbraw/zinc/25/97/42/616259742.db2.gz SQNSWMIXYCILPW-WDEREUQCSA-N 1 2 298.387 -1.371 20 0 CAADLO C[N@H+]1CCO[C@H](C(=O)N[C@@H]2CN(CC(N)=O)CC2(C)C)C1 ZINC000972992543 616259743 /nfs/dbraw/zinc/25/97/43/616259743.db2.gz SQNSWMIXYCILPW-WDEREUQCSA-N 1 2 298.387 -1.371 20 0 CAADLO C[N@@H+]1CCO[C@H](C(=O)N[C@@]2(C)CCN(C(=O)C(N)=O)C2)C1 ZINC000956791772 616259938 /nfs/dbraw/zinc/25/99/38/616259938.db2.gz DBIMVVMIUGMNSA-ZANVPECISA-N 1 2 298.343 -2.091 20 0 CAADLO C[N@H+]1CCO[C@H](C(=O)N[C@@]2(C)CCN(C(=O)C(N)=O)C2)C1 ZINC000956791772 616259939 /nfs/dbraw/zinc/25/99/39/616259939.db2.gz DBIMVVMIUGMNSA-ZANVPECISA-N 1 2 298.343 -2.091 20 0 CAADLO CN1CC[C@@H](C(=O)N[C@H]2C[N@H+](CC(N)=O)CC2(C)C)C1=O ZINC000974952465 616267607 /nfs/dbraw/zinc/26/76/07/616267607.db2.gz WSYYFMWVFXWNAX-UWVGGRQHSA-N 1 2 296.371 -1.223 20 0 CAADLO CN1CC[C@@H](C(=O)N[C@H]2C[N@@H+](CC(N)=O)CC2(C)C)C1=O ZINC000974952465 616267608 /nfs/dbraw/zinc/26/76/08/616267608.db2.gz WSYYFMWVFXWNAX-UWVGGRQHSA-N 1 2 296.371 -1.223 20 0 CAADLO CN1CC[C@@H]([N@@H+]2CCCN(C(=O)C(N)=O)CC2)C1=O ZINC000981862051 616274091 /nfs/dbraw/zinc/27/40/91/616274091.db2.gz RTQYGCMDJPMLQP-SECBINFHSA-N 1 2 268.317 -1.763 20 0 CAADLO CN1CC[C@@H]([N@H+]2CCCN(C(=O)C(N)=O)CC2)C1=O ZINC000981862051 616274094 /nfs/dbraw/zinc/27/40/94/616274094.db2.gz RTQYGCMDJPMLQP-SECBINFHSA-N 1 2 268.317 -1.763 20 0 CAADLO CN1C[C@@H](C(=O)N[C@@H]2C[N@H+](CC(N)=O)CC2(C)C)CC1=O ZINC000974638669 616277188 /nfs/dbraw/zinc/27/71/88/616277188.db2.gz GXDJWXKVQWFDMI-VHSXEESVSA-N 1 2 296.371 -1.223 20 0 CAADLO CN1C[C@@H](C(=O)N[C@@H]2C[N@@H+](CC(N)=O)CC2(C)C)CC1=O ZINC000974638669 616277192 /nfs/dbraw/zinc/27/71/92/616277192.db2.gz GXDJWXKVQWFDMI-VHSXEESVSA-N 1 2 296.371 -1.223 20 0 CAADLO CN1CC[C@H](C(=O)N[C@H]2C[N@H+](CC(N)=O)CC2(C)C)C1=O ZINC000974952475 616379027 /nfs/dbraw/zinc/37/90/27/616379027.db2.gz WSYYFMWVFXWNAX-ZJUUUORDSA-N 1 2 296.371 -1.223 20 0 CAADLO CN1CC[C@H](C(=O)N[C@H]2C[N@@H+](CC(N)=O)CC2(C)C)C1=O ZINC000974952475 616379032 /nfs/dbraw/zinc/37/90/32/616379032.db2.gz WSYYFMWVFXWNAX-ZJUUUORDSA-N 1 2 296.371 -1.223 20 0 CAADLO CN1CC[C@H]([N@@H+]2CCCN(C(=O)C(N)=O)CC2)C1=O ZINC000981862052 616406901 /nfs/dbraw/zinc/40/69/01/616406901.db2.gz RTQYGCMDJPMLQP-VIFPVBQESA-N 1 2 268.317 -1.763 20 0 CAADLO CN1CC[C@H]([N@H+]2CCCN(C(=O)C(N)=O)CC2)C1=O ZINC000981862052 616406904 /nfs/dbraw/zinc/40/69/04/616406904.db2.gz RTQYGCMDJPMLQP-VIFPVBQESA-N 1 2 268.317 -1.763 20 0 CAADLO CN1C[C@H](C(=O)N[C@@H]2C[N@H+](CC(N)=O)CC2(C)C)CC1=O ZINC000974638666 616416895 /nfs/dbraw/zinc/41/68/95/616416895.db2.gz GXDJWXKVQWFDMI-NXEZZACHSA-N 1 2 296.371 -1.223 20 0 CAADLO CN1C[C@H](C(=O)N[C@@H]2C[N@@H+](CC(N)=O)CC2(C)C)CC1=O ZINC000974638666 616416898 /nfs/dbraw/zinc/41/68/98/616416898.db2.gz GXDJWXKVQWFDMI-NXEZZACHSA-N 1 2 296.371 -1.223 20 0 CAADLO CN1C[C@H](C(=O)N[C@H]2C[N@H+](CC(N)=O)CC2(C)C)NC1=O ZINC000974904509 616419210 /nfs/dbraw/zinc/41/92/10/616419210.db2.gz RBDAQRAVXBQOLS-BDAKNGLRSA-N 1 2 297.359 -1.678 20 0 CAADLO CN1C[C@H](C(=O)N[C@H]2C[N@@H+](CC(N)=O)CC2(C)C)NC1=O ZINC000974904509 616419212 /nfs/dbraw/zinc/41/92/12/616419212.db2.gz RBDAQRAVXBQOLS-BDAKNGLRSA-N 1 2 297.359 -1.678 20 0 CAADLO CNC(=O)C[NH+]1CC([C@@H](C)NC(=O)C2CN(C(C)=O)C2)C1 ZINC000969571169 616595978 /nfs/dbraw/zinc/59/59/78/616595978.db2.gz XCNJYDRLFWNIMZ-SECBINFHSA-N 1 2 296.371 -1.353 20 0 CAADLO CNC(=O)C[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCCC(=O)N2)C1 ZINC000969917225 616596446 /nfs/dbraw/zinc/59/64/46/616596446.db2.gz WIPZJGDHMDVMQG-MWLCHTKSSA-N 1 2 296.371 -1.162 20 0 CAADLO CNC(=O)C[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCN(C)C2=O)C1 ZINC000970292239 616596466 /nfs/dbraw/zinc/59/64/66/616596466.db2.gz KUONBTVAZZRXGC-MWLCHTKSSA-N 1 2 296.371 -1.353 20 0 CAADLO CNC(=O)C[NH+]1CC([C@@H](C)NC(=O)[C@@H]2COC(=O)N2)C1 ZINC000969586579 616596500 /nfs/dbraw/zinc/59/65/00/616596500.db2.gz ZGOMOXLTGPEQMI-APPZFPTMSA-N 1 2 284.316 -1.723 20 0 CAADLO CNC(=O)C[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCC(=O)N2C)C1 ZINC000970278046 616596585 /nfs/dbraw/zinc/59/65/85/616596585.db2.gz RRLKLVUUXCJXQW-KOLCDFICSA-N 1 2 296.371 -1.210 20 0 CAADLO CNC(=O)C[NH+]1CC([C@@H](C)NC(=O)[C@@H]2COCCN2C)C1 ZINC000969513280 616596684 /nfs/dbraw/zinc/59/66/84/616596684.db2.gz BPHNVZMNMRVGNT-PWSUYJOCSA-N 1 2 298.387 -1.501 20 0 CAADLO CNC(=O)C[NH+]1CC([C@@H](C)NC(=O)c2c[nH]c(=O)cn2)C1 ZINC000970340289 616596763 /nfs/dbraw/zinc/59/67/63/616596763.db2.gz ONRNDPZPAOHLLP-MRVPVSSYSA-N 1 2 293.327 -1.434 20 0 CAADLO CNC(=O)C[NH+]1CC([C@@H](C)NC(=O)[C@H]2CC(=O)N(C)C2)C1 ZINC000969787264 616596778 /nfs/dbraw/zinc/59/67/78/616596778.db2.gz CGDSXDGFGIYVGX-ZJUUUORDSA-N 1 2 296.371 -1.353 20 0 CAADLO CNC(=O)C[NH+]1CC([C@@H](C)NC(=O)[C@H]2COCCO2)C1 ZINC000969322850 616596830 /nfs/dbraw/zinc/59/68/30/616596830.db2.gz JQFKRXVTECQHRE-MWLCHTKSSA-N 1 2 285.344 -1.416 20 0 CAADLO CNC(=O)C[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCC(=O)N2)C1 ZINC000970759325 616596898 /nfs/dbraw/zinc/59/68/98/616596898.db2.gz GFBWHBZOSKDQHJ-SCZZXKLOSA-N 1 2 282.344 -1.553 20 0 CAADLO CNC(=O)C[NH+]1CC([C@@H](C)NC(=O)c2cn(C)nn2)C1 ZINC000969582136 616597298 /nfs/dbraw/zinc/59/72/98/616597298.db2.gz AQQUMAZTMRNKRQ-MRVPVSSYSA-N 1 2 280.332 -1.389 20 0 CAADLO CNC(=O)C[NH+]1CC([C@@H](C)NC(=O)c2cc(=O)n(C)o2)C1 ZINC000969575361 616597687 /nfs/dbraw/zinc/59/76/87/616597687.db2.gz WHYMENUMQFQYEW-MRVPVSSYSA-N 1 2 296.327 -1.226 20 0 CAADLO CNC(=O)C[NH+]1CC([C@@H](C)NC(=O)c2c[nH]c(=O)n2C)C1 ZINC000970272135 616597790 /nfs/dbraw/zinc/59/77/90/616597790.db2.gz ADFPPHKIMNKVHV-MRVPVSSYSA-N 1 2 295.343 -1.078 20 0 CAADLO CNC(=O)C[NH+]1CC([C@H](C)NC(=O)[C@@H]2CC(=O)N(C)C2)C1 ZINC000969787263 616598185 /nfs/dbraw/zinc/59/81/85/616598185.db2.gz CGDSXDGFGIYVGX-VHSXEESVSA-N 1 2 296.371 -1.353 20 0 CAADLO CNC(=O)C[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCC(=O)N2C)C1 ZINC000970278047 616598253 /nfs/dbraw/zinc/59/82/53/616598253.db2.gz RRLKLVUUXCJXQW-ONGXEEELSA-N 1 2 296.371 -1.210 20 0 CAADLO CNC(=O)C[NH+]1CC([C@H](C)NC(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC000970269938 616598662 /nfs/dbraw/zinc/59/86/62/616598662.db2.gz DIRFUUDPVWQTBP-WPRPVWTQSA-N 1 2 297.359 -1.808 20 0 CAADLO CNC(=O)C[NH+]1CC([C@H](C)NC(=O)[C@H]2CCNC2=O)C1 ZINC000970265567 616598854 /nfs/dbraw/zinc/59/88/54/616598854.db2.gz RAWRPRBQPABFMF-WPRPVWTQSA-N 1 2 282.344 -1.695 20 0 CAADLO CNC(=O)C[NH+]1CC([C@H](C)NC(=O)[C@H]2CCCNC2=O)C1 ZINC000969885976 616599005 /nfs/dbraw/zinc/59/90/05/616599005.db2.gz ZWLZQUFKUPLINP-ONGXEEELSA-N 1 2 296.371 -1.305 20 0 CAADLO CNC(=O)C[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCN(C)C2=O)C1 ZINC000970292240 616599057 /nfs/dbraw/zinc/59/90/57/616599057.db2.gz KUONBTVAZZRXGC-ONGXEEELSA-N 1 2 296.371 -1.353 20 0 CAADLO CNC(=O)C[NH+]1CC([C@H](C)NC(=O)c2cnn(C)c2N)C1 ZINC000969531253 616599482 /nfs/dbraw/zinc/59/94/82/616599482.db2.gz DGMQFSKJUINDOT-QMMMGPOBSA-N 1 2 294.359 -1.202 20 0 CAADLO CNC(=O)C[NH+]1CC([C@H](C)NC(=O)c2c[nH]c(=O)n2C)C1 ZINC000970272136 616599632 /nfs/dbraw/zinc/59/96/32/616599632.db2.gz ADFPPHKIMNKVHV-QMMMGPOBSA-N 1 2 295.343 -1.078 20 0 CAADLO CNC(=O)C[NH+]1CC([C@H](C)NC(=O)c2nnn(C)c2C)C1 ZINC000969432934 616600134 /nfs/dbraw/zinc/60/01/34/616600134.db2.gz DRYIDZBZJPPAMZ-QMMMGPOBSA-N 1 2 294.359 -1.080 20 0 CAADLO CNC(=O)C[N@@H+]1CCCN(C(=O)CCn2cnnn2)CC1 ZINC000982660871 616603128 /nfs/dbraw/zinc/60/31/28/616603128.db2.gz YTDYOYXQZBKZKL-UHFFFAOYSA-N 1 2 295.347 -1.657 20 0 CAADLO CNC(=O)C[N@H+]1CCCN(C(=O)CCn2cnnn2)CC1 ZINC000982660871 616603129 /nfs/dbraw/zinc/60/31/29/616603129.db2.gz YTDYOYXQZBKZKL-UHFFFAOYSA-N 1 2 295.347 -1.657 20 0 CAADLO CNC(=O)C[N@@H+]1CCCN(C(=O)C[C@H]2CCC(=O)N2)CC1 ZINC000982190749 616603304 /nfs/dbraw/zinc/60/33/04/616603304.db2.gz SWYVXGXCSJESCH-LLVKDONJSA-N 1 2 296.371 -1.065 20 0 CAADLO CNC(=O)C[N@H+]1CCCN(C(=O)C[C@H]2CCC(=O)N2)CC1 ZINC000982190749 616603307 /nfs/dbraw/zinc/60/33/07/616603307.db2.gz SWYVXGXCSJESCH-LLVKDONJSA-N 1 2 296.371 -1.065 20 0 CAADLO CNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2CCN(C)C2=O)CC1 ZINC000981779077 616604208 /nfs/dbraw/zinc/60/42/08/616604208.db2.gz LLSFJPAJQXKKSX-LLVKDONJSA-N 1 2 296.371 -1.255 20 0 CAADLO CNC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2CCN(C)C2=O)CC1 ZINC000981779077 616604211 /nfs/dbraw/zinc/60/42/11/616604211.db2.gz LLSFJPAJQXKKSX-LLVKDONJSA-N 1 2 296.371 -1.255 20 0 CAADLO CNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2CC[C@H]2C(N)=O)CC1 ZINC000981744696 616604392 /nfs/dbraw/zinc/60/43/92/616604392.db2.gz IURGRWJTTPEMLD-GHMZBOCLSA-N 1 2 296.371 -1.222 20 0 CAADLO CNC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2CC[C@H]2C(N)=O)CC1 ZINC000981744696 616604396 /nfs/dbraw/zinc/60/43/96/616604396.db2.gz IURGRWJTTPEMLD-GHMZBOCLSA-N 1 2 296.371 -1.222 20 0 CAADLO CNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2CC[C@@H]2C(N)=O)CC1 ZINC000981744699 616604470 /nfs/dbraw/zinc/60/44/70/616604470.db2.gz IURGRWJTTPEMLD-WDEREUQCSA-N 1 2 296.371 -1.222 20 0 CAADLO CNC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2CC[C@@H]2C(N)=O)CC1 ZINC000981744699 616604472 /nfs/dbraw/zinc/60/44/72/616604472.db2.gz IURGRWJTTPEMLD-WDEREUQCSA-N 1 2 296.371 -1.222 20 0 CAADLO CNC(=O)C[N@@H+]1CCCN(C(=O)[C@@]2(C)CCNC2=O)CC1 ZINC000981944823 616605002 /nfs/dbraw/zinc/60/50/02/616605002.db2.gz AAAWAABOGWLNKC-AWEZNQCLSA-N 1 2 296.371 -1.207 20 0 CAADLO CNC(=O)C[N@H+]1CCCN(C(=O)[C@@]2(C)CCNC2=O)CC1 ZINC000981944823 616605006 /nfs/dbraw/zinc/60/50/06/616605006.db2.gz AAAWAABOGWLNKC-AWEZNQCLSA-N 1 2 296.371 -1.207 20 0 CAADLO CNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2CN(C)C(=O)N2)CC1 ZINC000981751381 616605231 /nfs/dbraw/zinc/60/52/31/616605231.db2.gz RFKBQQIRGIXQIL-JTQLQIEISA-N 1 2 297.359 -1.710 20 0 CAADLO CNC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2CN(C)C(=O)N2)CC1 ZINC000981751381 616605234 /nfs/dbraw/zinc/60/52/34/616605234.db2.gz RFKBQQIRGIXQIL-JTQLQIEISA-N 1 2 297.359 -1.710 20 0 CAADLO CNC(=O)C[N@@H+]1CCCN(C(=O)Cn2nccn2)CC1 ZINC000981249669 616605261 /nfs/dbraw/zinc/60/52/61/616605261.db2.gz YLDFZXABGJOBIG-UHFFFAOYSA-N 1 2 280.332 -1.442 20 0 CAADLO CNC(=O)C[N@H+]1CCCN(C(=O)Cn2nccn2)CC1 ZINC000981249669 616605266 /nfs/dbraw/zinc/60/52/66/616605266.db2.gz YLDFZXABGJOBIG-UHFFFAOYSA-N 1 2 280.332 -1.442 20 0 CAADLO CNC(=O)C[N@@H+]1CCCN(C(=O)[C@H]2COCCO2)CC1 ZINC000980737209 616605423 /nfs/dbraw/zinc/60/54/23/616605423.db2.gz AOZKIGZDQSUBFL-LLVKDONJSA-N 1 2 285.344 -1.318 20 0 CAADLO CNC(=O)C[N@H+]1CCCN(C(=O)[C@H]2COCCO2)CC1 ZINC000980737209 616605427 /nfs/dbraw/zinc/60/54/27/616605427.db2.gz AOZKIGZDQSUBFL-LLVKDONJSA-N 1 2 285.344 -1.318 20 0 CAADLO CNC(=O)C[N@@H+]1CCCN(C(=O)[C@H]2CCC(=O)N2C)CC1 ZINC000981811745 616605459 /nfs/dbraw/zinc/60/54/59/616605459.db2.gz XKROUQIANOFFFU-LLVKDONJSA-N 1 2 296.371 -1.113 20 0 CAADLO CNC(=O)C[N@H+]1CCCN(C(=O)[C@H]2CCC(=O)N2C)CC1 ZINC000981811745 616605462 /nfs/dbraw/zinc/60/54/62/616605462.db2.gz XKROUQIANOFFFU-LLVKDONJSA-N 1 2 296.371 -1.113 20 0 CAADLO CNC(=O)C[N@@H+]1CCCN(C(=O)c2c[nH]c(=O)cn2)CC1 ZINC000981837529 616605663 /nfs/dbraw/zinc/60/56/63/616605663.db2.gz DXHKHJVZJMRDQT-UHFFFAOYSA-N 1 2 293.327 -1.336 20 0 CAADLO CNC(=O)C[N@H+]1CCCN(C(=O)c2c[nH]c(=O)cn2)CC1 ZINC000981837529 616605665 /nfs/dbraw/zinc/60/56/65/616605665.db2.gz DXHKHJVZJMRDQT-UHFFFAOYSA-N 1 2 293.327 -1.336 20 0 CAADLO CNC(=O)C[N@@H+]1CCCN(C(=O)[C@H]2CCCC(=O)N2)CC1 ZINC000981408654 616605711 /nfs/dbraw/zinc/60/57/11/616605711.db2.gz PYAIRKIZHJSXML-LLVKDONJSA-N 1 2 296.371 -1.065 20 0 CAADLO CNC(=O)C[N@H+]1CCCN(C(=O)[C@H]2CCCC(=O)N2)CC1 ZINC000981408654 616605713 /nfs/dbraw/zinc/60/57/13/616605713.db2.gz PYAIRKIZHJSXML-LLVKDONJSA-N 1 2 296.371 -1.065 20 0 CAADLO CNC(=O)C[N@@H+]1CCCN(C(=O)[C@H]2CN(C)C(=O)N2)CC1 ZINC000981751384 616605718 /nfs/dbraw/zinc/60/57/18/616605718.db2.gz RFKBQQIRGIXQIL-SNVBAGLBSA-N 1 2 297.359 -1.710 20 0 CAADLO CNC(=O)C[N@H+]1CCCN(C(=O)[C@H]2CN(C)C(=O)N2)CC1 ZINC000981751384 616605721 /nfs/dbraw/zinc/60/57/21/616605721.db2.gz RFKBQQIRGIXQIL-SNVBAGLBSA-N 1 2 297.359 -1.710 20 0 CAADLO CNC(=O)C[N@@H+]1CCCN(C(=O)[C@H]2CCC(=O)NC2)CC1 ZINC000981519600 616605999 /nfs/dbraw/zinc/60/59/99/616605999.db2.gz BOXOZTSAEZEOJZ-NSHDSACASA-N 1 2 296.371 -1.207 20 0 CAADLO CNC(=O)C[N@H+]1CCCN(C(=O)[C@H]2CCC(=O)NC2)CC1 ZINC000981519600 616606002 /nfs/dbraw/zinc/60/60/02/616606002.db2.gz BOXOZTSAEZEOJZ-NSHDSACASA-N 1 2 296.371 -1.207 20 0 CAADLO CNC(=O)C[N@@H+]1CCCN(C(=O)[C@H]2CC[C@@H]2C(N)=O)CC1 ZINC000981744698 616606128 /nfs/dbraw/zinc/60/61/28/616606128.db2.gz IURGRWJTTPEMLD-QWRGUYRKSA-N 1 2 296.371 -1.222 20 0 CAADLO CNC(=O)C[N@H+]1CCCN(C(=O)[C@H]2CC[C@@H]2C(N)=O)CC1 ZINC000981744698 616606131 /nfs/dbraw/zinc/60/61/31/616606131.db2.gz IURGRWJTTPEMLD-QWRGUYRKSA-N 1 2 296.371 -1.222 20 0 CAADLO CNC(=O)CN1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000950732212 616608620 /nfs/dbraw/zinc/60/86/20/616608620.db2.gz FRBVJIGMBGRRJV-UHFFFAOYSA-N 1 2 265.317 -1.158 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)Cc2nc[nH]n2)C1 ZINC000968518145 616610137 /nfs/dbraw/zinc/61/01/37/616610137.db2.gz YLNYCOFSLGWOSO-ZJUUUORDSA-N 1 2 294.359 -1.080 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)Cc2nc[nH]n2)C1 ZINC000968518145 616610139 /nfs/dbraw/zinc/61/01/39/616610139.db2.gz YLNYCOFSLGWOSO-ZJUUUORDSA-N 1 2 294.359 -1.080 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cc2nnc[nH]2)[C@@H](C)C1 ZINC000944048271 616613782 /nfs/dbraw/zinc/61/37/82/616613782.db2.gz XOVQDFQKHJMXEZ-VHSXEESVSA-N 1 2 294.359 -1.080 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)Cc2nnc[nH]2)[C@@H](C)C1 ZINC000944048271 616613783 /nfs/dbraw/zinc/61/37/83/616613783.db2.gz XOVQDFQKHJMXEZ-VHSXEESVSA-N 1 2 294.359 -1.080 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cn[nH]n2)[C@@H](C)C1 ZINC000942216115 616624872 /nfs/dbraw/zinc/62/48/72/616624872.db2.gz JPVZMWCJWCPWLL-IUCAKERBSA-N 1 2 280.332 -1.009 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cn[nH]n2)[C@@H](C)C1 ZINC000942216115 616624873 /nfs/dbraw/zinc/62/48/73/616624873.db2.gz JPVZMWCJWCPWLL-IUCAKERBSA-N 1 2 280.332 -1.009 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cnn[nH]2)[C@@H](C)C1 ZINC000942216115 616624876 /nfs/dbraw/zinc/62/48/76/616624876.db2.gz JPVZMWCJWCPWLL-IUCAKERBSA-N 1 2 280.332 -1.009 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cnn[nH]2)[C@@H](C)C1 ZINC000942216115 616624877 /nfs/dbraw/zinc/62/48/77/616624877.db2.gz JPVZMWCJWCPWLL-IUCAKERBSA-N 1 2 280.332 -1.009 20 0 CAADLO CNC(=O)C[N@@H+]1C[C@@H](NC(=O)C(N)=O)C(C)(C)C1 ZINC000974987091 616628356 /nfs/dbraw/zinc/62/83/56/616628356.db2.gz SAWBUQCVQRNAFB-SSDOTTSWSA-N 1 2 256.306 -1.956 20 0 CAADLO CNC(=O)C[N@H+]1C[C@@H](NC(=O)C(N)=O)C(C)(C)C1 ZINC000974987091 616628359 /nfs/dbraw/zinc/62/83/59/616628359.db2.gz SAWBUQCVQRNAFB-SSDOTTSWSA-N 1 2 256.306 -1.956 20 0 CAADLO CNC(=O)C[N@@H+]1C[C@H](NC(=O)[C@H]2COCCO2)C(C)(C)C1 ZINC000972818904 616635748 /nfs/dbraw/zinc/63/57/48/616635748.db2.gz QYMHMZXPVGVOFU-MNOVXSKESA-N 1 2 299.371 -1.026 20 0 CAADLO CNC(=O)C[N@H+]1C[C@H](NC(=O)[C@H]2COCCO2)C(C)(C)C1 ZINC000972818904 616635753 /nfs/dbraw/zinc/63/57/53/616635753.db2.gz QYMHMZXPVGVOFU-MNOVXSKESA-N 1 2 299.371 -1.026 20 0 CAADLO CNC(=O)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3nc[nH]n3)[C@@H]2C1 ZINC000978877972 616641855 /nfs/dbraw/zinc/64/18/55/616641855.db2.gz KAGOMEQFRBQQCB-PSVAKVPMSA-N 1 2 278.316 -1.542 20 0 CAADLO CNC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3nc[nH]n3)[C@@H]2C1 ZINC000978877972 616641857 /nfs/dbraw/zinc/64/18/57/616641857.db2.gz KAGOMEQFRBQQCB-PSVAKVPMSA-N 1 2 278.316 -1.542 20 0 CAADLO CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1nnc[nH]1 ZINC000962070288 616647944 /nfs/dbraw/zinc/64/79/44/616647944.db2.gz AVNAXAZLAAWWLN-QMSLJYSESA-N 1 2 264.289 -1.789 20 0 CAADLO CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1nnc[nH]1 ZINC000962070288 616647947 /nfs/dbraw/zinc/64/79/47/616647947.db2.gz AVNAXAZLAAWWLN-QMSLJYSESA-N 1 2 264.289 -1.789 20 0 CAADLO CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ncn[nH]1 ZINC000962070288 616647949 /nfs/dbraw/zinc/64/79/49/616647949.db2.gz AVNAXAZLAAWWLN-QMSLJYSESA-N 1 2 264.289 -1.789 20 0 CAADLO CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ncn[nH]1 ZINC000962070288 616647950 /nfs/dbraw/zinc/64/79/50/616647950.db2.gz AVNAXAZLAAWWLN-QMSLJYSESA-N 1 2 264.289 -1.789 20 0 CAADLO COCC(=O)N1C[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@@H](O)C1 ZINC000969412339 616685188 /nfs/dbraw/zinc/68/51/88/616685188.db2.gz BQXKMLDLAPRKIU-MNOVXSKESA-N 1 2 296.327 -1.405 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+]1CCCN(C(=O)C(N)=O)CC1 ZINC000981862145 616784406 /nfs/dbraw/zinc/78/44/06/616784406.db2.gz WEACETOIJYJTHZ-MRVPVSSYSA-N 1 2 256.306 -1.860 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+]1CCCN(C(=O)C(N)=O)CC1 ZINC000981862145 616784412 /nfs/dbraw/zinc/78/44/12/616784412.db2.gz WEACETOIJYJTHZ-MRVPVSSYSA-N 1 2 256.306 -1.860 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+]1CCCN(C(=O)C(N)=O)CC1 ZINC000981862146 616845901 /nfs/dbraw/zinc/84/59/01/616845901.db2.gz WEACETOIJYJTHZ-QMMMGPOBSA-N 1 2 256.306 -1.860 20 0 CAADLO CNC(=O)[C@H](C)[N@H+]1CCCN(C(=O)C(N)=O)CC1 ZINC000981862146 616845903 /nfs/dbraw/zinc/84/59/03/616845903.db2.gz WEACETOIJYJTHZ-QMMMGPOBSA-N 1 2 256.306 -1.860 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cn[nH]n1 ZINC000960754483 616853118 /nfs/dbraw/zinc/85/31/18/616853118.db2.gz YJWONWDSMOYLQV-QHOPCYEYSA-N 1 2 278.316 -1.401 20 0 CAADLO CNC(=O)[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cn[nH]n1 ZINC000960754483 616853127 /nfs/dbraw/zinc/85/31/27/616853127.db2.gz YJWONWDSMOYLQV-QHOPCYEYSA-N 1 2 278.316 -1.401 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnn[nH]1 ZINC000960754483 616853132 /nfs/dbraw/zinc/85/31/32/616853132.db2.gz YJWONWDSMOYLQV-QHOPCYEYSA-N 1 2 278.316 -1.401 20 0 CAADLO CNC(=O)[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnn[nH]1 ZINC000960754483 616853135 /nfs/dbraw/zinc/85/31/35/616853135.db2.gz YJWONWDSMOYLQV-QHOPCYEYSA-N 1 2 278.316 -1.401 20 0 CAADLO CO[C@H](C)C(=O)N1C[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H](O)C1 ZINC000968452809 617046480 /nfs/dbraw/zinc/04/64/80/617046480.db2.gz RRNLDGPMTPCVPE-MXWKQRLJSA-N 1 2 296.327 -1.394 20 0 CAADLO COc1c(C(=O)N[C@H](C)C2C[NH+](CC(N)=O)C2)cnn1C ZINC000970809669 617144292 /nfs/dbraw/zinc/14/42/92/617144292.db2.gz FGWNACSQRFUPJK-MRVPVSSYSA-N 1 2 295.343 -1.036 20 0 CAADLO CO[C@@H](C)C(=O)N1C[C@@H](NC(=O)Cc2c[nH]c[nH+]2)[C@@H](O)C1 ZINC000970949863 617145022 /nfs/dbraw/zinc/14/50/22/617145022.db2.gz AKXZLZICEMABQY-GDPRMGEGSA-N 1 2 296.327 -1.325 20 0 CAADLO CO[C@@H](C)C(=O)N1C[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H](O)C1 ZINC000968452808 617145031 /nfs/dbraw/zinc/14/50/31/617145031.db2.gz RRNLDGPMTPCVPE-AXFHLTTASA-N 1 2 296.327 -1.394 20 0 CAADLO COc1cc(C(=O)NC[C@H]2C[N@H+](CC(N)=O)C[C@H]2O)on1 ZINC000957978382 617162269 /nfs/dbraw/zinc/16/22/69/617162269.db2.gz BNGATFMTXLTQHR-JGVFFNPUSA-N 1 2 298.299 -1.809 20 0 CAADLO COc1cc(C(=O)NC[C@H]2C[N@@H+](CC(N)=O)C[C@H]2O)on1 ZINC000957978382 617162270 /nfs/dbraw/zinc/16/22/70/617162270.db2.gz BNGATFMTXLTQHR-JGVFFNPUSA-N 1 2 298.299 -1.809 20 0 CAADLO CCOCC[NH+]1CC(CCO)(NC(=O)[C@@H]2CCNC2=O)C1 ZINC001276075964 782187442 /nfs/dbraw/zinc/18/74/42/782187442.db2.gz QWXUIQYTDWZTRY-LLVKDONJSA-N 1 2 299.371 -1.288 20 0 CAADLO C[C@H](F)CC[NH+]1CC(CCO)(NC(=O)C(N)=O)C1 ZINC001276082539 782187546 /nfs/dbraw/zinc/18/75/46/782187546.db2.gz JWVQAQJGRMCYSV-QMMMGPOBSA-N 1 2 261.297 -1.227 20 0 CAADLO C[C@@H](O)C[NH+]1CC(CCO)(NC(=O)[C@@H]2CCCNC2=O)C1 ZINC001276057147 782187791 /nfs/dbraw/zinc/18/77/91/782187791.db2.gz UTPHRLJSTUPZCO-GHMZBOCLSA-N 1 2 299.371 -1.554 20 0 CAADLO C[C@H](O)C[NH+]1CC(CCO)(NC(=O)[C@@H]2CCCNC2=O)C1 ZINC001276057150 782187893 /nfs/dbraw/zinc/18/78/93/782187893.db2.gz UTPHRLJSTUPZCO-WDEREUQCSA-N 1 2 299.371 -1.554 20 0 CAADLO O=C(NC1(CCO)C[NH+](CCCO)C1)[C@@H]1CCCNC1=O ZINC001276056529 782188089 /nfs/dbraw/zinc/18/80/89/782188089.db2.gz DLBPIXRCAWEKGM-LLVKDONJSA-N 1 2 299.371 -1.552 20 0 CAADLO NC(=O)C1(C(=O)NC2(CCO)C[NH+](CCCO)C2)CC1 ZINC001276082735 782188130 /nfs/dbraw/zinc/18/81/30/782188130.db2.gz LWYLOEUSPLTMJK-UHFFFAOYSA-N 1 2 285.344 -1.813 20 0 CAADLO C[C@H](O)C[NH+]1CC(CCO)(NC(=O)[C@@H]2CCN(C)C2=O)C1 ZINC001276075635 782188525 /nfs/dbraw/zinc/18/85/25/782188525.db2.gz MYUVYNUCUIVQGF-QWRGUYRKSA-N 1 2 299.371 -1.602 20 0 CAADLO CCS(=O)(=O)CC(=O)N(C)CC[N@H+](C)CCO ZINC000912609113 656263216 /nfs/dbraw/zinc/26/32/16/656263216.db2.gz YGPLCRGSIORTRH-UHFFFAOYSA-N 1 2 266.363 -1.196 20 0 CAADLO CCS(=O)(=O)CC(=O)N(C)CC[N@@H+](C)CCO ZINC000912609113 656263226 /nfs/dbraw/zinc/26/32/26/656263226.db2.gz YGPLCRGSIORTRH-UHFFFAOYSA-N 1 2 266.363 -1.196 20 0 CAADLO COC(=O)N[C@@H](C)C(=O)N1CC[N@@H+](C)C[C@@H]1CO ZINC000912741233 656265348 /nfs/dbraw/zinc/26/53/48/656265348.db2.gz PKKVOYDCPAXXEG-DTWKUNHWSA-N 1 2 259.306 -1.134 20 0 CAADLO CNS(=O)(=O)CC(=O)N1CC[N@H+](C)C[C@@H]1CO ZINC000912743073 656266412 /nfs/dbraw/zinc/26/64/12/656266412.db2.gz OOLZLZFICKTYAR-MRVPVSSYSA-N 1 2 265.335 -2.330 20 0 CAADLO CNS(=O)(=O)CC(=O)N1CC[N@@H+](C)C[C@@H]1CO ZINC000912743073 656266419 /nfs/dbraw/zinc/26/64/19/656266419.db2.gz OOLZLZFICKTYAR-MRVPVSSYSA-N 1 2 265.335 -2.330 20 0 CAADLO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCO)C1CS(=O)(=O)C1 ZINC001095463499 782189329 /nfs/dbraw/zinc/18/93/29/782189329.db2.gz CNIQLASPVDFIRW-VWYCJHECSA-N 1 2 288.369 -1.255 20 0 CAADLO CNS(=O)(=O)N[C@@H](C)[C@H]1CN(C)CC[N@@H+]1C ZINC000919980675 656379094 /nfs/dbraw/zinc/37/90/94/656379094.db2.gz FIDBAWNOCYMWSC-DTWKUNHWSA-N 1 2 250.368 -1.326 20 0 CAADLO CNS(=O)(=O)N[C@@H](C)[C@H]1CN(C)CC[N@H+]1C ZINC000919980675 656379098 /nfs/dbraw/zinc/37/90/98/656379098.db2.gz FIDBAWNOCYMWSC-DTWKUNHWSA-N 1 2 250.368 -1.326 20 0 CAADLO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCO)C1CS(=O)(=O)C1 ZINC001095463499 782189333 /nfs/dbraw/zinc/18/93/33/782189333.db2.gz CNIQLASPVDFIRW-VWYCJHECSA-N 1 2 288.369 -1.255 20 0 CAADLO C[C@H](C[NH+]1CCOCC1)N1CC(S(N)(=O)=O)C1 ZINC000930731778 656840517 /nfs/dbraw/zinc/84/05/17/656840517.db2.gz MGMPHILFVKJYQB-SECBINFHSA-N 1 2 263.363 -1.320 20 0 CAADLO CN1C[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(N)=O)CC1=O ZINC001095493224 782189758 /nfs/dbraw/zinc/18/97/58/782189758.db2.gz KUZJLXJEGIICMB-ZNSHCXBVSA-N 1 2 294.355 -1.329 20 0 CAADLO CN1C[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(N)=O)CC1=O ZINC001095493224 782189761 /nfs/dbraw/zinc/18/97/61/782189761.db2.gz KUZJLXJEGIICMB-ZNSHCXBVSA-N 1 2 294.355 -1.329 20 0 CAADLO C[C@@H](NC(=O)[C@@H]1COCCO1)C1C[NH+](CC(N)=O)C1 ZINC000969321470 655996557 /nfs/dbraw/zinc/99/65/57/655996557.db2.gz DWPIWWREGQCFNI-SCZZXKLOSA-N 1 2 271.317 -1.676 20 0 CAADLO C[C@H](NC(=O)[C@@H]1COCCO1)C1C[NH+](CC(N)=O)C1 ZINC000969321472 655996731 /nfs/dbraw/zinc/99/67/31/655996731.db2.gz DWPIWWREGQCFNI-WPRPVWTQSA-N 1 2 271.317 -1.676 20 0 CAADLO C[C@@H](NC(=O)c1ccn[nH]1)C1C[NH+](CC(N)=O)C1 ZINC000969333231 655997097 /nfs/dbraw/zinc/99/70/97/655997097.db2.gz SXSGSCJVRZYUJK-SSDOTTSWSA-N 1 2 251.290 -1.055 20 0 CAADLO Cn1nnc(C[NH2+][C@H]2C[C@H](NC(=O)c3nnn(C)n3)C2)n1 ZINC001020478450 655997815 /nfs/dbraw/zinc/99/78/15/655997815.db2.gz NENIZDVBALMEAV-LJGSYFOKSA-N 1 2 292.307 -2.216 20 0 CAADLO C[C@@H](NC(=O)c1nccnc1N)C1C[NH+]([C@H](C)C(N)=O)C1 ZINC000969424518 655998362 /nfs/dbraw/zinc/99/83/62/655998362.db2.gz QHIOXISIUJEKSY-HTQZYQBOSA-N 1 2 292.343 -1.017 20 0 CAADLO C[C@H](NC(=O)c1nccnc1N)C1C[NH+](CC(N)=O)C1 ZINC000969424084 655998373 /nfs/dbraw/zinc/99/83/73/655998373.db2.gz MJDZYJAZZPLEOA-ZETCQYMHSA-N 1 2 278.316 -1.406 20 0 CAADLO Cn1nnc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CNC(=O)N3)C2)n1 ZINC001020530937 655999018 /nfs/dbraw/zinc/99/90/18/655999018.db2.gz KMLSAUAKIYZPFY-FXQIFTODSA-N 1 2 294.319 -2.372 20 0 CAADLO Cn1nnc(C[NH2+][C@H]2C[C@H](NC(=O)C(N)=O)C2)n1 ZINC001020533117 655999543 /nfs/dbraw/zinc/99/95/43/655999543.db2.gz GVASETNUDBEDEJ-IZLXSQMJSA-N 1 2 253.266 -2.568 20 0 CAADLO CN(C)c1nc(C[NH2+][C@H]2C[C@H](NC(=O)C(N)=O)C2)ns1 ZINC001020533206 656000270 /nfs/dbraw/zinc/00/02/70/656000270.db2.gz LNQWQHNNKZPWQD-LJGSYFOKSA-N 1 2 298.372 -1.174 20 0 CAADLO C[C@H](NC(=O)c1cnn(C)c1N)C1C[NH+](CC(N)=O)C1 ZINC000969532075 656000680 /nfs/dbraw/zinc/00/06/80/656000680.db2.gz MGCUDRTYNPJYPT-ZETCQYMHSA-N 1 2 280.332 -1.462 20 0 CAADLO C[C@H](NC(=O)[C@H]1COCCN1C)C1C[NH+](CC(N)=O)C1 ZINC000969517660 656000862 /nfs/dbraw/zinc/00/08/62/656000862.db2.gz MTWLCOSGLFRNOS-GXSJLCMTSA-N 1 2 284.360 -1.761 20 0 CAADLO C[C@H](NC(=O)[C@@H]1CCNC(=O)C1)C1C[NH+](CC(N)=O)C1 ZINC000969484403 656000872 /nfs/dbraw/zinc/00/08/72/656000872.db2.gz XBYPNOAJPKMNHJ-DTWKUNHWSA-N 1 2 282.344 -1.566 20 0 CAADLO C[C@H](NC(=O)c1cn(C)cn1)C1C[NH+](CC(N)=O)C1 ZINC000969497237 656000906 /nfs/dbraw/zinc/00/09/06/656000906.db2.gz SMYJQOMQASZBOZ-QMMMGPOBSA-N 1 2 265.317 -1.045 20 0 CAADLO C[C@H](NC(=O)[C@@H]1COCCN1C)C1C[NH+](CC(N)=O)C1 ZINC000969517663 656000955 /nfs/dbraw/zinc/00/09/55/656000955.db2.gz MTWLCOSGLFRNOS-ONGXEEELSA-N 1 2 284.360 -1.761 20 0 CAADLO C[C@@H](NC(=O)c1cc(=O)n(C)o1)C1C[NH+](CC(N)=O)C1 ZINC000969572046 656001625 /nfs/dbraw/zinc/00/16/25/656001625.db2.gz DJVLQOIKMXPOMD-SSDOTTSWSA-N 1 2 282.300 -1.486 20 0 CAADLO C[C@H](NC(=O)c1cn(C)nn1)C1C[NH+](CC(N)=O)C1 ZINC000969617511 656002060 /nfs/dbraw/zinc/00/20/60/656002060.db2.gz UPZGIZARLGIKRN-ZETCQYMHSA-N 1 2 266.305 -1.650 20 0 CAADLO C[C@H](NC(=O)c1ncn(C)n1)C1C[NH+](CC(N)=O)C1 ZINC000969599969 656002085 /nfs/dbraw/zinc/00/20/85/656002085.db2.gz WUYAEMFJMZQNDK-ZETCQYMHSA-N 1 2 266.305 -1.650 20 0 CAADLO C[C@H](NC(=O)c1cnnn1C)C1C[NH+](CC(N)=O)C1 ZINC000969602254 656002440 /nfs/dbraw/zinc/00/24/40/656002440.db2.gz LRDBIYDDVVBLRG-ZETCQYMHSA-N 1 2 266.305 -1.650 20 0 CAADLO C[C@H](NC(=O)[C@H]1COC(=O)N1)C1C[NH+](CC(N)=O)C1 ZINC000969593100 656002513 /nfs/dbraw/zinc/00/25/13/656002513.db2.gz FJHYPCSZQCFEBI-POYBYMJQSA-N 1 2 270.289 -1.983 20 0 CAADLO C[C@@H](NC(=O)[C@H]1COC(=O)N1)C1C[NH+](CC(N)=O)C1 ZINC000969593080 656002624 /nfs/dbraw/zinc/00/26/24/656002624.db2.gz FJHYPCSZQCFEBI-HTRCEHHLSA-N 1 2 270.289 -1.983 20 0 CAADLO C[C@H](NC(=O)C1CS(=O)(=O)C1)C1C[NH+](CCO)C1 ZINC000969743737 656003152 /nfs/dbraw/zinc/00/31/52/656003152.db2.gz CYMRAQWOOSRGIE-QMMMGPOBSA-N 1 2 276.358 -1.540 20 0 CAADLO C[C@H](NC(=O)[C@]12C[C@H]1COC2)C1C[NH+](CC(N)=O)C1 ZINC000969712741 656003181 /nfs/dbraw/zinc/00/31/81/656003181.db2.gz FUENTAFQEMSBFC-FWDPORAESA-N 1 2 267.329 -1.055 20 0 CAADLO O=C([C@@H]1CNC(=O)N1)N1CC[C@@H]([NH2+]Cc2cnsn2)C1 ZINC000969767182 656003534 /nfs/dbraw/zinc/00/35/34/656003534.db2.gz TYFBRFWRKOWPQS-APPZFPTMSA-N 1 2 296.356 -1.090 20 0 CAADLO Cc1nnc(C[NH2+][C@@H]2CCN(C(=O)[C@@H]3CNC(=O)N3)C2)o1 ZINC000969767313 656003878 /nfs/dbraw/zinc/00/38/78/656003878.db2.gz VUOSXKVNZPXEEB-BDAKNGLRSA-N 1 2 294.315 -1.250 20 0 CAADLO Cc1cnc(C[NH2+][C@@H]2CCN(C(=O)C(N)=O)C2)nc1 ZINC000969784760 656004316 /nfs/dbraw/zinc/00/43/16/656004316.db2.gz YOCJMOUBFIUSEO-SECBINFHSA-N 1 2 263.301 -1.039 20 0 CAADLO C[C@@H]([NH2+][C@@H]1CCN(C(=O)C(N)=O)C1)c1nnnn1C1CC1 ZINC000969784729 656004495 /nfs/dbraw/zinc/00/44/95/656004495.db2.gz YDSWPOQEOLUULI-HTQZYQBOSA-N 1 2 293.331 -1.255 20 0 CAADLO Cn1nc(C2CC2)nc1C[NH2+][C@@H]1CCN(C(=O)C(N)=O)C1 ZINC000969784887 656004515 /nfs/dbraw/zinc/00/45/15/656004515.db2.gz CHXDNLUASXJNKT-SECBINFHSA-N 1 2 292.343 -1.132 20 0 CAADLO Cn1nnnc1C[NH2+][C@@H]1CCN(C(=O)C(N)=O)C1 ZINC000969778391 656004534 /nfs/dbraw/zinc/00/45/34/656004534.db2.gz WZPZCITWVBSJIY-ZCFIWIBFSA-N 1 2 253.266 -2.614 20 0 CAADLO C[C@H](NC(=O)[C@H]1CC(=O)N(C)C1)C1C[NH+](CC(N)=O)C1 ZINC000969789860 656005001 /nfs/dbraw/zinc/00/50/01/656005001.db2.gz SHCIAUGOJWHFAG-IUCAKERBSA-N 1 2 282.344 -1.614 20 0 CAADLO C[C@H](NC(=O)[C@@H]1CCCNC1=O)C1C[NH+](CC(N)=O)C1 ZINC000969883170 656005527 /nfs/dbraw/zinc/00/55/27/656005527.db2.gz GHLVOTFMLDVGCA-WCBMZHEXSA-N 1 2 282.344 -1.566 20 0 CAADLO C[C@H](NC(=O)c1cc2n(n1)CCO2)C1C[NH+](CC(N)=O)C1 ZINC000969848128 656005554 /nfs/dbraw/zinc/00/55/54/656005554.db2.gz RVROMXKTRGISJY-QMMMGPOBSA-N 1 2 293.327 -1.189 20 0 CAADLO C[C@@H](NC(=O)c1cc2n(n1)CCO2)C1C[NH+](CC(N)=O)C1 ZINC000969848127 656005679 /nfs/dbraw/zinc/00/56/79/656005679.db2.gz RVROMXKTRGISJY-MRVPVSSYSA-N 1 2 293.327 -1.189 20 0 CAADLO Cn1cnc(C(=O)N[C@H]2CC[N@H+](CC(N)=O)C2)c1 ZINC001010569395 656006103 /nfs/dbraw/zinc/00/61/03/656006103.db2.gz XYVBHOKRNFKJID-QMMMGPOBSA-N 1 2 251.290 -1.291 20 0 CAADLO Cn1cnc(C(=O)N[C@H]2CC[N@@H+](CC(N)=O)C2)c1 ZINC001010569395 656006105 /nfs/dbraw/zinc/00/61/05/656006105.db2.gz XYVBHOKRNFKJID-QMMMGPOBSA-N 1 2 251.290 -1.291 20 0 CAADLO Cc1[nH]c(=O)[nH]c1C(=O)N[C@H](C)C1C[NH+](CC(N)=O)C1 ZINC000969906382 656006369 /nfs/dbraw/zinc/00/63/69/656006369.db2.gz DKZFUWFYIYJNRC-ZCFIWIBFSA-N 1 2 281.316 -1.041 20 0 CAADLO C[C@H](NC(=O)[C@@H]1CCN(C)C(=O)C1)C1C[NH+](CC(N)=O)C1 ZINC000969986767 656006400 /nfs/dbraw/zinc/00/64/00/656006400.db2.gz DXQXLWCZHOBBNB-VHSXEESVSA-N 1 2 296.371 -1.223 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2COCCO2)C1 ZINC001006806032 656006666 /nfs/dbraw/zinc/00/66/66/656006666.db2.gz KHXZICPICFSHFQ-UWVGGRQHSA-N 1 2 271.317 -1.532 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2COCCO2)C1 ZINC001006806032 656006668 /nfs/dbraw/zinc/00/66/68/656006668.db2.gz KHXZICPICFSHFQ-UWVGGRQHSA-N 1 2 271.317 -1.532 20 0 CAADLO C[C@@H](NC(=O)c1ccc(=O)n(C)c1)C1C[NH+](CC(N)=O)C1 ZINC000970038936 656006696 /nfs/dbraw/zinc/00/66/96/656006696.db2.gz UHGHJPRUPOAYKY-SECBINFHSA-N 1 2 292.339 -1.079 20 0 CAADLO C[C@H](NC(=O)[C@H]1CCC(=O)NC1)C1C[NH+](CC(N)=O)C1 ZINC000970021354 656006753 /nfs/dbraw/zinc/00/67/53/656006753.db2.gz STZHIXFPPFTNTM-IUCAKERBSA-N 1 2 282.344 -1.566 20 0 CAADLO C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)c2nnc[nH]2)C1)c1nnnn1C ZINC001020772965 656007408 /nfs/dbraw/zinc/00/74/08/656007408.db2.gz AIFBCVQUVDWAQK-BWZBUEFSSA-N 1 2 291.319 -1.060 20 0 CAADLO C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)c2ncn[nH]2)C1)c1nnnn1C ZINC001020772965 656007411 /nfs/dbraw/zinc/00/74/11/656007411.db2.gz AIFBCVQUVDWAQK-BWZBUEFSSA-N 1 2 291.319 -1.060 20 0 CAADLO C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)c2nc[nH]n2)C1)c1nnnn1C ZINC001020772965 656007415 /nfs/dbraw/zinc/00/74/15/656007415.db2.gz AIFBCVQUVDWAQK-BWZBUEFSSA-N 1 2 291.319 -1.060 20 0 CAADLO Cn1ncc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3nnn(C)n3)C2)n1 ZINC001020746224 656007552 /nfs/dbraw/zinc/00/75/52/656007552.db2.gz NUOXIDPHPFZHFO-ZKCHVHJHSA-N 1 2 291.319 -1.611 20 0 CAADLO Cn1nnnc1C[NH2+][C@H]1C[C@H](NC(=O)Cc2ncc[nH]2)C1 ZINC001020818954 656008065 /nfs/dbraw/zinc/00/80/65/656008065.db2.gz KWHMPNDMLDFWFU-KYZUINATSA-N 1 2 290.331 -1.087 20 0 CAADLO Cc1nonc1CC(=O)N[C@H]1C[C@H]([NH2+]CC(N)=O)C1 ZINC001020861326 656008156 /nfs/dbraw/zinc/00/81/56/656008156.db2.gz SBWWKNVCJDVJLE-ZKCHVHJHSA-N 1 2 267.289 -1.357 20 0 CAADLO O=C(N[C@H]1C[C@H]([NH2+][C@H]2CCNC2=O)C1)c1nnc[nH]1 ZINC001020781749 656008300 /nfs/dbraw/zinc/00/83/00/656008300.db2.gz NAYZBRPRIZYYAS-FXQIFTODSA-N 1 2 264.289 -1.456 20 0 CAADLO O=C(N[C@H]1C[C@H]([NH2+][C@H]2CCNC2=O)C1)c1ncn[nH]1 ZINC001020781749 656008301 /nfs/dbraw/zinc/00/83/01/656008301.db2.gz NAYZBRPRIZYYAS-FXQIFTODSA-N 1 2 264.289 -1.456 20 0 CAADLO O=C(N[C@H]1C[C@H]([NH2+][C@H]2CCNC2=O)C1)c1nc[nH]n1 ZINC001020781749 656008302 /nfs/dbraw/zinc/00/83/02/656008302.db2.gz NAYZBRPRIZYYAS-FXQIFTODSA-N 1 2 264.289 -1.456 20 0 CAADLO O=C(C[NH2+][C@@H]1C[C@@H](NC(=O)c2nnc[nH]2)C1)N1CCC1 ZINC001020781121 656008312 /nfs/dbraw/zinc/00/83/12/656008312.db2.gz DWVHGZGPVBEGRW-KYZUINATSA-N 1 2 278.316 -1.113 20 0 CAADLO O=C(C[NH2+][C@@H]1C[C@@H](NC(=O)c2ncn[nH]2)C1)N1CCC1 ZINC001020781121 656008313 /nfs/dbraw/zinc/00/83/13/656008313.db2.gz DWVHGZGPVBEGRW-KYZUINATSA-N 1 2 278.316 -1.113 20 0 CAADLO O=C(C[NH2+][C@@H]1C[C@@H](NC(=O)c2nc[nH]n2)C1)N1CCC1 ZINC001020781121 656008315 /nfs/dbraw/zinc/00/83/15/656008315.db2.gz DWVHGZGPVBEGRW-KYZUINATSA-N 1 2 278.316 -1.113 20 0 CAADLO Cn1nnnc1C[NH2+][C@H]1C[C@H](NC(=O)c2cnon2)C1 ZINC001020786135 656008316 /nfs/dbraw/zinc/00/83/16/656008316.db2.gz PEPYGCYBTABVPP-LJGSYFOKSA-N 1 2 278.276 -1.356 20 0 CAADLO Cn1nnc(C[NH2+][C@H]2C[C@H](NC(=O)c3cnon3)C2)n1 ZINC001020785657 656008330 /nfs/dbraw/zinc/00/83/30/656008330.db2.gz IBFHZCGSEAKMDP-LJGSYFOKSA-N 1 2 278.276 -1.356 20 0 CAADLO C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)c2cc(C(N)=O)c[nH]2)C1)C(N)=O ZINC001020826948 656008359 /nfs/dbraw/zinc/00/83/59/656008359.db2.gz FBOKQVSHBPATQK-FTLITQJKSA-N 1 2 293.327 -1.162 20 0 CAADLO NC(=O)c1c[nH]c(C(=O)N[C@H]2C[C@H]([NH2+]CCO)C2)c1 ZINC001020827444 656008364 /nfs/dbraw/zinc/00/83/64/656008364.db2.gz MDOJKUWFMFGXKX-KYZUINATSA-N 1 2 266.301 -1.044 20 0 CAADLO C[C@H](NC(=O)c1ccc(C(N)=O)o1)C1C[NH+](CC(N)=O)C1 ZINC000970114838 656008371 /nfs/dbraw/zinc/00/83/71/656008371.db2.gz XPFNOUUBAHGJHG-ZETCQYMHSA-N 1 2 294.311 -1.086 20 0 CAADLO NC(=O)C[NH2+][C@@H]1CCN(C(=O)Cc2cnc[nH]2)C1 ZINC000970103434 656008403 /nfs/dbraw/zinc/00/84/03/656008403.db2.gz OTMGZNCUHYKODI-MRVPVSSYSA-N 1 2 251.290 -1.372 20 0 CAADLO Cn1ncnc1C[NH2+][C@H]1C[C@H](NC(=O)Cc2nnc[nH]2)C1 ZINC001020904119 656008790 /nfs/dbraw/zinc/00/87/90/656008790.db2.gz NNVVMBIWDPRVJB-KYZUINATSA-N 1 2 290.331 -1.087 20 0 CAADLO Cn1cnnc1C[NH2+][C@H]1C[C@H](NC(=O)Cc2nnc[nH]2)C1 ZINC001020903865 656009130 /nfs/dbraw/zinc/00/91/30/656009130.db2.gz FRSDZUOKARJJMC-KYZUINATSA-N 1 2 290.331 -1.087 20 0 CAADLO Cn1nnc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CCC(=O)N3)C2)n1 ZINC001020950591 656009400 /nfs/dbraw/zinc/00/94/00/656009400.db2.gz FRWDABNOVDUKMJ-CIUDSAMLSA-N 1 2 293.331 -1.775 20 0 CAADLO Cn1nnc(C[NH2+][C@H]2C[C@H](NC(=O)Cn3cncn3)C2)n1 ZINC001021019427 656010358 /nfs/dbraw/zinc/01/03/58/656010358.db2.gz PMJQZAMAGCGBTO-KYZUINATSA-N 1 2 291.319 -1.761 20 0 CAADLO NC(=O)C(=O)N[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@@H]1O ZINC000970207852 656012270 /nfs/dbraw/zinc/01/22/70/656012270.db2.gz BQGILRMEWVJZMB-BDAKNGLRSA-N 1 2 295.299 -2.485 20 0 CAADLO NC(=O)C(=O)N[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@@H]1O ZINC000970207852 656012274 /nfs/dbraw/zinc/01/22/74/656012274.db2.gz BQGILRMEWVJZMB-BDAKNGLRSA-N 1 2 295.299 -2.485 20 0 CAADLO C[C@H](NC(=O)[C@H]1CCNC(=O)CC1)C1C[NH+](CC(N)=O)C1 ZINC000970215667 656012733 /nfs/dbraw/zinc/01/27/33/656012733.db2.gz BGWBVHBASGNQBO-VHSXEESVSA-N 1 2 296.371 -1.176 20 0 CAADLO C[C@H](NC(=O)[C@@H]1CCNC(=O)CC1)C1C[NH+](CC(N)=O)C1 ZINC000970215666 656012919 /nfs/dbraw/zinc/01/29/19/656012919.db2.gz BGWBVHBASGNQBO-UWVGGRQHSA-N 1 2 296.371 -1.176 20 0 CAADLO COc1nn(C)cc1C(=O)N[C@@H](C)C1C[NH+](CC(N)=O)C1 ZINC000970265759 656013118 /nfs/dbraw/zinc/01/31/18/656013118.db2.gz SCLRGQHUXYEREB-QMMMGPOBSA-N 1 2 295.343 -1.036 20 0 CAADLO C[C@H](NC(=O)[C@H]1[C@@H]2COC[C@@H]21)C1C[NH+](CC(N)=O)C1 ZINC000970281718 656013166 /nfs/dbraw/zinc/01/31/66/656013166.db2.gz JYSGHSLIFBGEOR-QAHWYCSRSA-N 1 2 267.329 -1.199 20 0 CAADLO Cc1nn[nH]c1C(=O)N[C@@H](C)C1C[NH+](CC(N)=O)C1 ZINC000970254555 656013183 /nfs/dbraw/zinc/01/31/83/656013183.db2.gz BZERVGVEPPJXCK-LURJTMIESA-N 1 2 266.305 -1.351 20 0 CAADLO Cc1nonc1C(=O)N[C@H]1C[C@H]([NH2+]Cc2nnn(C)n2)C1 ZINC001021132538 656013438 /nfs/dbraw/zinc/01/34/38/656013438.db2.gz GDRLXNAVWBWMQL-ZKCHVHJHSA-N 1 2 292.303 -1.048 20 0 CAADLO C[C@H](NC(=O)[C@H]1CCNC1=O)C1C[NH+](CC(N)=O)C1 ZINC000970269221 656013465 /nfs/dbraw/zinc/01/34/65/656013465.db2.gz VDZAKAPSBPNBBB-CBAPKCEASA-N 1 2 268.317 -1.956 20 0 CAADLO COc1nn(C)cc1C(=O)N[C@H](C)C1C[NH+](CC(N)=O)C1 ZINC000970265758 656013512 /nfs/dbraw/zinc/01/35/12/656013512.db2.gz SCLRGQHUXYEREB-MRVPVSSYSA-N 1 2 295.343 -1.036 20 0 CAADLO C[C@H](NC(=O)[C@@H]1CN(C)C(=O)N1)C1C[NH+](CC(N)=O)C1 ZINC000970269578 656013581 /nfs/dbraw/zinc/01/35/81/656013581.db2.gz ASPAXORHAMCXRU-CBAPKCEASA-N 1 2 283.332 -2.068 20 0 CAADLO C[C@H](NC(=O)c1nnn(C)n1)C1C[NH+](CC(N)=O)C1 ZINC000970290238 656013866 /nfs/dbraw/zinc/01/38/66/656013866.db2.gz WPGNCROASHISCW-LURJTMIESA-N 1 2 267.293 -2.255 20 0 CAADLO C[C@H](NC(=O)c1nnn(C)n1)C1C[NH+]([C@H]2CCNC2=O)C1 ZINC000970288998 656013992 /nfs/dbraw/zinc/01/39/92/656013992.db2.gz BHOLNFFTHDQDLY-CBAPKCEASA-N 1 2 293.331 -1.851 20 0 CAADLO C[C@@H](NC(=O)c1nnn(C)n1)C1C[NH+](CC(=O)N(C)C)C1 ZINC000970286936 656014044 /nfs/dbraw/zinc/01/40/44/656014044.db2.gz FYZVIYDMORIRTE-MRVPVSSYSA-N 1 2 295.347 -1.652 20 0 CAADLO C[C@H](NC(=O)c1nnn(C)n1)C1C[NH+]([C@@H]2CCNC2=O)C1 ZINC000970288999 656014083 /nfs/dbraw/zinc/01/40/83/656014083.db2.gz BHOLNFFTHDQDLY-IONNQARKSA-N 1 2 293.331 -1.851 20 0 CAADLO C[C@H](NC(=O)[C@@H]1CCN(C)C1=O)C1C[NH+](CC(N)=O)C1 ZINC000970294082 656014231 /nfs/dbraw/zinc/01/42/31/656014231.db2.gz WOAVAJHOLOSFKE-WPRPVWTQSA-N 1 2 282.344 -1.614 20 0 CAADLO C[C@@H](NC(=O)c1nnn(C)n1)C1C[NH+]([C@H]2CCNC2=O)C1 ZINC000970288997 656014242 /nfs/dbraw/zinc/01/42/42/656014242.db2.gz BHOLNFFTHDQDLY-APPZFPTMSA-N 1 2 293.331 -1.851 20 0 CAADLO C[C@H](NC(=O)[C@H]1CCC(=O)N1C)C1C[NH+](CC(N)=O)C1 ZINC000970316015 656014468 /nfs/dbraw/zinc/01/44/68/656014468.db2.gz AWTACIDALXWKHU-WCBMZHEXSA-N 1 2 282.344 -1.471 20 0 CAADLO C[C@@H](NC(=O)c1cccc(=O)n1C)C1C[NH+](CC(N)=O)C1 ZINC000970403856 656014693 /nfs/dbraw/zinc/01/46/93/656014693.db2.gz GLEZPLSVNADWEE-SECBINFHSA-N 1 2 292.339 -1.079 20 0 CAADLO C[C@H](NC(=O)c1cn(C)c(=O)[nH]1)C1C[NH+](CC(N)=O)C1 ZINC000970368996 656014780 /nfs/dbraw/zinc/01/47/80/656014780.db2.gz JYQBOSDYRWLADR-ZETCQYMHSA-N 1 2 281.316 -1.339 20 0 CAADLO C[C@H](NC(=O)c1cccc(=O)n1C)C1C[NH+](CC(N)=O)C1 ZINC000970403857 656014791 /nfs/dbraw/zinc/01/47/91/656014791.db2.gz GLEZPLSVNADWEE-VIFPVBQESA-N 1 2 292.339 -1.079 20 0 CAADLO C[C@@H](NC(=O)c1ccc(C(N)=O)[nH]1)C1C[NH+](CC(N)=O)C1 ZINC000970434773 656015057 /nfs/dbraw/zinc/01/50/57/656015057.db2.gz UXZOSYRRNDSHJX-SSDOTTSWSA-N 1 2 293.327 -1.351 20 0 CAADLO C[C@@H](NC(=O)[C@@H]1CCCCC(=O)N1)C1C[NH+](CC(N)=O)C1 ZINC000970411819 656015092 /nfs/dbraw/zinc/01/50/92/656015092.db2.gz KHBLDDRSILULBL-KOLCDFICSA-N 1 2 296.371 -1.033 20 0 CAADLO O=C(Cc1ncn[nH]1)N1CC[C@@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC000970446033 656015172 /nfs/dbraw/zinc/01/51/72/656015172.db2.gz SMVRWFREAUREFU-RKDXNWHRSA-N 1 2 278.316 -1.574 20 0 CAADLO O=C(Cc1ncn[nH]1)N1CC[C@@H]([NH2+][C@@H]2CCCNC2=O)C1 ZINC000970445953 656015179 /nfs/dbraw/zinc/01/51/79/656015179.db2.gz QFDTZFZJKOSGKG-NXEZZACHSA-N 1 2 292.343 -1.184 20 0 CAADLO C[C@H](NC(=O)[C@H]1CCCCC(=O)N1)C1C[NH+](CC(N)=O)C1 ZINC000970411816 656015225 /nfs/dbraw/zinc/01/52/25/656015225.db2.gz KHBLDDRSILULBL-GXSJLCMTSA-N 1 2 296.371 -1.033 20 0 CAADLO C[C@H](NC(=O)[C@H]1C[C@H]1C(N)=O)C1C[NH+](CC(N)=O)C1 ZINC000970431890 656015286 /nfs/dbraw/zinc/01/52/86/656015286.db2.gz UBVPVPKFWLIQSV-ZQARSLAVSA-N 1 2 268.317 -1.970 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2COCCN2C)C1 ZINC001010696774 656015959 /nfs/dbraw/zinc/01/59/59/656015959.db2.gz TXMPDTRODKUBHT-QWRGUYRKSA-N 1 2 284.360 -1.747 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H]2COCCN2C)C1 ZINC001010696774 656015963 /nfs/dbraw/zinc/01/59/63/656015963.db2.gz TXMPDTRODKUBHT-QWRGUYRKSA-N 1 2 284.360 -1.747 20 0 CAADLO C[C@@H](NC(=O)c1cnn(C)n1)C1C[NH+]([C@@H](C)C(N)=O)C1 ZINC000970582387 656016288 /nfs/dbraw/zinc/01/62/88/656016288.db2.gz FXNYVLYEFHFAOH-SFYZADRCSA-N 1 2 280.332 -1.261 20 0 CAADLO C[C@@H](NC(=O)C1CC(=O)NC(=O)C1)C1C[NH+](CC(N)=O)C1 ZINC000970577986 656016499 /nfs/dbraw/zinc/01/64/99/656016499.db2.gz TTZVEPRVORELFC-SSDOTTSWSA-N 1 2 296.327 -2.039 20 0 CAADLO C[C@H](C(N)=O)[NH+]1CC([C@H](C)NC(=O)c2cnn(C)n2)C1 ZINC000970582386 656016557 /nfs/dbraw/zinc/01/65/57/656016557.db2.gz FXNYVLYEFHFAOH-JGVFFNPUSA-N 1 2 280.332 -1.261 20 0 CAADLO C[C@@H](NC(=O)c1cc(C(N)=O)c[nH]1)C1C[NH+](CC(N)=O)C1 ZINC000970656202 656016934 /nfs/dbraw/zinc/01/69/34/656016934.db2.gz ZWXWVUKBQANNRI-SSDOTTSWSA-N 1 2 293.327 -1.351 20 0 CAADLO C[C@H](NC(=O)c1cnon1)C1C[NH+]([C@@H](C)C(N)=O)C1 ZINC000970620197 656017250 /nfs/dbraw/zinc/01/72/50/656017250.db2.gz SRZCEIXZLUWLKU-BQBZGAKWSA-N 1 2 267.289 -1.007 20 0 CAADLO C[C@H](NC(=O)c1cc(C(N)=O)c[nH]1)C1C[NH+](CC(N)=O)C1 ZINC000970656203 656017330 /nfs/dbraw/zinc/01/73/30/656017330.db2.gz ZWXWVUKBQANNRI-ZETCQYMHSA-N 1 2 293.327 -1.351 20 0 CAADLO C[C@H](NC(=O)[C@H]1CCCC(=O)N1C)C1C[NH+](CC(N)=O)C1 ZINC000970821702 656018787 /nfs/dbraw/zinc/01/87/87/656018787.db2.gz SSNMRRRKFDHFOL-GXSJLCMTSA-N 1 2 296.371 -1.081 20 0 CAADLO C[C@@H](NC(=O)[C@@H]1CCCC(=O)N1C)C1C[NH+](CC(N)=O)C1 ZINC000970821706 656019048 /nfs/dbraw/zinc/01/90/48/656019048.db2.gz SSNMRRRKFDHFOL-KOLCDFICSA-N 1 2 296.371 -1.081 20 0 CAADLO NC(=O)CC(=O)N1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001010803755 656019071 /nfs/dbraw/zinc/01/90/71/656019071.db2.gz PMRWZQZCJHHZJM-UHFFFAOYSA-N 1 2 293.327 -1.112 20 0 CAADLO NC(=O)CC(=O)N1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001010803755 656019073 /nfs/dbraw/zinc/01/90/73/656019073.db2.gz PMRWZQZCJHHZJM-UHFFFAOYSA-N 1 2 293.327 -1.112 20 0 CAADLO C[C@H](NC(=O)[C@@H]1CCCC(=O)N1C)C1C[NH+](CC(N)=O)C1 ZINC000970821717 656019105 /nfs/dbraw/zinc/01/91/05/656019105.db2.gz SSNMRRRKFDHFOL-ONGXEEELSA-N 1 2 296.371 -1.081 20 0 CAADLO C[C@H](NC(=O)[C@H]1CCCS1(=O)=O)C1C[NH+](CCO)C1 ZINC000970910058 656019414 /nfs/dbraw/zinc/01/94/14/656019414.db2.gz KVMANTSFSWUBMZ-GXSJLCMTSA-N 1 2 290.385 -1.008 20 0 CAADLO Cn1nncc1C(=O)N[C@@H]1CC[N@H+](CC(=O)N2CCC2)C1 ZINC001010817864 656019693 /nfs/dbraw/zinc/01/96/93/656019693.db2.gz AMEQQIXQWVGDSP-SNVBAGLBSA-N 1 2 292.343 -1.149 20 0 CAADLO Cn1nncc1C(=O)N[C@@H]1CC[N@@H+](CC(=O)N2CCC2)C1 ZINC001010817864 656019696 /nfs/dbraw/zinc/01/96/96/656019696.db2.gz AMEQQIXQWVGDSP-SNVBAGLBSA-N 1 2 292.343 -1.149 20 0 CAADLO C[C@@H](NC(=O)[C@H]1CCCS1(=O)=O)C1C[NH+](CCO)C1 ZINC000970910165 656020009 /nfs/dbraw/zinc/02/00/09/656020009.db2.gz KVMANTSFSWUBMZ-MWLCHTKSSA-N 1 2 290.385 -1.008 20 0 CAADLO C[C@H](NC(=O)[C@@H]1CCCN1C(N)=O)C1C[NH+](CC(N)=O)C1 ZINC000970977658 656020235 /nfs/dbraw/zinc/02/02/35/656020235.db2.gz HOWCTCLYEDBRBC-WPRPVWTQSA-N 1 2 297.359 -1.549 20 0 CAADLO Cn1nncc1C[N@@H+]1CC[C@H](NC(=O)[C@H]2COC(=O)N2)C1 ZINC001010838071 656020282 /nfs/dbraw/zinc/02/02/82/656020282.db2.gz DWTKHAQXWLBECE-WCBMZHEXSA-N 1 2 294.315 -1.386 20 0 CAADLO Cn1nncc1C[N@H+]1CC[C@H](NC(=O)[C@H]2COC(=O)N2)C1 ZINC001010838071 656020283 /nfs/dbraw/zinc/02/02/83/656020283.db2.gz DWTKHAQXWLBECE-WCBMZHEXSA-N 1 2 294.315 -1.386 20 0 CAADLO Cn1cc(C(=O)N[C@@H]2CC[N@@H+]([C@@H]3CCNC3=O)C2)nn1 ZINC001010847698 656020299 /nfs/dbraw/zinc/02/02/99/656020299.db2.gz BTKVNICTNGBEQX-PSASIEDQSA-N 1 2 278.316 -1.492 20 0 CAADLO Cn1cc(C(=O)N[C@@H]2CC[N@H+]([C@@H]3CCNC3=O)C2)nn1 ZINC001010847698 656020301 /nfs/dbraw/zinc/02/03/01/656020301.db2.gz BTKVNICTNGBEQX-PSASIEDQSA-N 1 2 278.316 -1.492 20 0 CAADLO C[C@@H](NC(=O)c1cn(C)c(=O)n1C)C1C[NH+](CC(N)=O)C1 ZINC000970942435 656020470 /nfs/dbraw/zinc/02/04/70/656020470.db2.gz SETCWEYIQLORSF-MRVPVSSYSA-N 1 2 295.343 -1.741 20 0 CAADLO Cc1nonc1C(=O)N[C@H](C)C1C[NH+](CC(N)=O)C1 ZINC000970976987 656020534 /nfs/dbraw/zinc/02/05/34/656020534.db2.gz YKYSXYUDGPCVRD-ZCFIWIBFSA-N 1 2 267.289 -1.087 20 0 CAADLO C[C@@H](NC(=O)[C@@H]1CCCN1C(N)=O)C1C[NH+](CC(N)=O)C1 ZINC000970977654 656020558 /nfs/dbraw/zinc/02/05/58/656020558.db2.gz HOWCTCLYEDBRBC-SCZZXKLOSA-N 1 2 297.359 -1.549 20 0 CAADLO Cn1cnc(C(=O)N[C@@H]2CC[N@@H+]([C@@H]3CCNC3=O)C2)n1 ZINC001010876997 656020612 /nfs/dbraw/zinc/02/06/12/656020612.db2.gz NSRJVTMQAYAFGP-RKDXNWHRSA-N 1 2 278.316 -1.492 20 0 CAADLO Cn1cnc(C(=O)N[C@@H]2CC[N@H+]([C@@H]3CCNC3=O)C2)n1 ZINC001010876997 656020615 /nfs/dbraw/zinc/02/06/15/656020615.db2.gz NSRJVTMQAYAFGP-RKDXNWHRSA-N 1 2 278.316 -1.492 20 0 CAADLO CC(=O)[C@](C)(O)C[N@@H+]1CCN2[C@@H](CNS2(=O)=O)C1 ZINC000933099723 656021906 /nfs/dbraw/zinc/02/19/06/656021906.db2.gz BEZDMWFXUIJPIW-VHSXEESVSA-N 1 2 277.346 -1.839 20 0 CAADLO CC(=O)[C@](C)(O)C[N@H+]1CCN2[C@@H](CNS2(=O)=O)C1 ZINC000933099723 656021908 /nfs/dbraw/zinc/02/19/08/656021908.db2.gz BEZDMWFXUIJPIW-VHSXEESVSA-N 1 2 277.346 -1.839 20 0 CAADLO CN1CCC[C@@H]([N@@H+]2CCN3[C@H](CNS3(=O)=O)C2)C1=O ZINC000933099279 656022082 /nfs/dbraw/zinc/02/20/82/656022082.db2.gz UNMNKNKOJHIQIN-NXEZZACHSA-N 1 2 288.373 -1.559 20 0 CAADLO CN1CCC[C@@H]([N@H+]2CCN3[C@H](CNS3(=O)=O)C2)C1=O ZINC000933099279 656022085 /nfs/dbraw/zinc/02/20/85/656022085.db2.gz UNMNKNKOJHIQIN-NXEZZACHSA-N 1 2 288.373 -1.559 20 0 CAADLO CC(=O)[C@@](C)(O)C[N@@H+]1CCN2[C@@H](CNS2(=O)=O)C1 ZINC000933099722 656022288 /nfs/dbraw/zinc/02/22/88/656022288.db2.gz BEZDMWFXUIJPIW-UWVGGRQHSA-N 1 2 277.346 -1.839 20 0 CAADLO CC(=O)[C@@](C)(O)C[N@H+]1CCN2[C@@H](CNS2(=O)=O)C1 ZINC000933099722 656022290 /nfs/dbraw/zinc/02/22/90/656022290.db2.gz BEZDMWFXUIJPIW-UWVGGRQHSA-N 1 2 277.346 -1.839 20 0 CAADLO CN1CCC[C@H]([N@@H+]2CCN3[C@H](CNS3(=O)=O)C2)C1=O ZINC000933099288 656022329 /nfs/dbraw/zinc/02/23/29/656022329.db2.gz UNMNKNKOJHIQIN-ZJUUUORDSA-N 1 2 288.373 -1.559 20 0 CAADLO CN1CCC[C@H]([N@H+]2CCN3[C@H](CNS3(=O)=O)C2)C1=O ZINC000933099288 656022332 /nfs/dbraw/zinc/02/23/32/656022332.db2.gz UNMNKNKOJHIQIN-ZJUUUORDSA-N 1 2 288.373 -1.559 20 0 CAADLO Nc1cc(C[N@@H+]2CCN3[C@@H](CNS3(=O)=O)C2)ccn1 ZINC000933099266 656022338 /nfs/dbraw/zinc/02/23/38/656022338.db2.gz UJTGHWIGSUMRPO-JTQLQIEISA-N 1 2 283.357 -1.002 20 0 CAADLO Nc1cc(C[N@H+]2CCN3[C@@H](CNS3(=O)=O)C2)ccn1 ZINC000933099266 656022340 /nfs/dbraw/zinc/02/23/40/656022340.db2.gz UJTGHWIGSUMRPO-JTQLQIEISA-N 1 2 283.357 -1.002 20 0 CAADLO Cn1nnc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3COCCO3)C2)n1 ZINC001021850320 656023292 /nfs/dbraw/zinc/02/32/92/656023292.db2.gz HGJHVJQLSILKTH-AEJSXWLSSA-N 1 2 296.331 -1.638 20 0 CAADLO Cn1nnc(C[NH2+][C@H]2C[C@@H](NC(=O)c3ccn[nH]3)C2)n1 ZINC001021857696 656023710 /nfs/dbraw/zinc/02/37/10/656023710.db2.gz YIQMCDMGPGHTFP-OCAPTIKFSA-N 1 2 276.304 -1.016 20 0 CAADLO Cn1nnc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3CCOC3)C2)n1 ZINC001021881362 656023801 /nfs/dbraw/zinc/02/38/01/656023801.db2.gz FIUPTLHFIHSFBC-LPEHRKFASA-N 1 2 280.332 -1.017 20 0 CAADLO Cn1nnc(C[NH2+][C@H]2C[C@@H](NC(=O)Cc3cc[nH]n3)C2)n1 ZINC001021920768 656024507 /nfs/dbraw/zinc/02/45/07/656024507.db2.gz QEENLOVMOYSURS-AOOOYVTPSA-N 1 2 290.331 -1.087 20 0 CAADLO Cn1cnc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3nnn(C)n3)C2)c1 ZINC001021965401 656024680 /nfs/dbraw/zinc/02/46/80/656024680.db2.gz RWLDJELOPVVSEE-DTORHVGOSA-N 1 2 290.331 -1.006 20 0 CAADLO Cn1nnc(C[NH2+][C@H]2C[C@@H](NC(=O)Cn3ncnn3)C2)n1 ZINC001022083644 656025990 /nfs/dbraw/zinc/02/59/90/656025990.db2.gz XLDAVHSTCRCXBM-OCAPTIKFSA-N 1 2 292.307 -2.366 20 0 CAADLO Cn1ncc(C[NH2+][C@H]2C[C@@H](NC(=O)c3cn[nH]n3)C2)n1 ZINC001022352148 656028480 /nfs/dbraw/zinc/02/84/80/656028480.db2.gz LIFBEZQKFSQDMX-OCAPTIKFSA-N 1 2 276.304 -1.016 20 0 CAADLO Cn1ncc(C[NH2+][C@H]2C[C@@H](NC(=O)c3cnn[nH]3)C2)n1 ZINC001022352148 656028487 /nfs/dbraw/zinc/02/84/87/656028487.db2.gz LIFBEZQKFSQDMX-OCAPTIKFSA-N 1 2 276.304 -1.016 20 0 CAADLO C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)c2cn[nH]n2)C1)c1nnnn1C ZINC001022354135 656028742 /nfs/dbraw/zinc/02/87/42/656028742.db2.gz FFYZBGPDYMFPDZ-PRJMDXOYSA-N 1 2 291.319 -1.060 20 0 CAADLO C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)c2cnn[nH]2)C1)c1nnnn1C ZINC001022354135 656028745 /nfs/dbraw/zinc/02/87/45/656028745.db2.gz FFYZBGPDYMFPDZ-PRJMDXOYSA-N 1 2 291.319 -1.060 20 0 CAADLO NC(=O)C(=O)N1C[C@@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)[C@@H]2C1 ZINC001022522989 656029585 /nfs/dbraw/zinc/02/95/85/656029585.db2.gz ROISWXDRSGFOLE-DTWKUNHWSA-N 1 2 291.311 -1.503 20 0 CAADLO Cn1nnc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3CCNC3=O)C2)n1 ZINC001022536794 656030393 /nfs/dbraw/zinc/03/03/93/656030393.db2.gz BFVJEHIMPIOMPK-YIZRAAEISA-N 1 2 293.331 -1.917 20 0 CAADLO Cn1nnc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3[C@@H]4COC[C@@H]43)C2)n1 ZINC001022564914 656031404 /nfs/dbraw/zinc/03/14/04/656031404.db2.gz BOJMVPNEOGRMGO-QPJWQJBDSA-N 1 2 292.343 -1.161 20 0 CAADLO CN(C)c1nc(C[NH2+][C@H]2C[C@@H](NC(=O)C(N)=O)C2)ns1 ZINC001022633562 656032313 /nfs/dbraw/zinc/03/23/13/656032313.db2.gz LNQWQHNNKZPWQD-KNVOCYPGSA-N 1 2 298.372 -1.174 20 0 CAADLO Cn1nnc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3CNC(=O)N3)C2)n1 ZINC001022630020 656032435 /nfs/dbraw/zinc/03/24/35/656032435.db2.gz KMLSAUAKIYZPFY-GJMOJQLCSA-N 1 2 294.319 -2.372 20 0 CAADLO NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)c2[nH]ncc2F)C1 ZINC001022668247 656033224 /nfs/dbraw/zinc/03/32/24/656033224.db2.gz VIIBPPLYQGLREE-OLQVQODUSA-N 1 2 255.253 -1.116 20 0 CAADLO Cn1nnc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3C[C@H]3C(N)=O)C2)n1 ZINC001022726174 656033828 /nfs/dbraw/zinc/03/38/28/656033828.db2.gz QYOFKRURIRKESR-XAVMHZPKSA-N 1 2 293.331 -1.932 20 0 CAADLO CC(=O)N[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1O ZINC001022853743 656037154 /nfs/dbraw/zinc/03/71/54/656037154.db2.gz AEHWXBBZSHEDOH-NXEZZACHSA-N 1 2 252.274 -1.340 20 0 CAADLO C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)c2nnc[nH]2)C1)c1nnnn1C ZINC001022866571 656038657 /nfs/dbraw/zinc/03/86/57/656038657.db2.gz AIFBCVQUVDWAQK-PRJMDXOYSA-N 1 2 291.319 -1.060 20 0 CAADLO C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)c2ncn[nH]2)C1)c1nnnn1C ZINC001022866571 656038658 /nfs/dbraw/zinc/03/86/58/656038658.db2.gz AIFBCVQUVDWAQK-PRJMDXOYSA-N 1 2 291.319 -1.060 20 0 CAADLO C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)c2nc[nH]n2)C1)c1nnnn1C ZINC001022866571 656038659 /nfs/dbraw/zinc/03/86/59/656038659.db2.gz AIFBCVQUVDWAQK-PRJMDXOYSA-N 1 2 291.319 -1.060 20 0 CAADLO Cn1ccc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3nnn(C)n3)C2)n1 ZINC001023089025 656042102 /nfs/dbraw/zinc/04/21/02/656042102.db2.gz VKXKBFUXVLYRQE-DTORHVGOSA-N 1 2 290.331 -1.006 20 0 CAADLO CCn1cc(CC(=O)NC[C@H]2C[NH+]3CCN2CC3)nn1 ZINC000935018600 656044373 /nfs/dbraw/zinc/04/43/73/656044373.db2.gz YSDLUUWDPGCQJY-LBPRGKRZSA-N 1 2 278.360 -1.044 20 0 CAADLO O=C(NC[C@@H]1C[NH+]2CCN1CC2)[C@@H]1CSCC(=O)N1 ZINC000935015392 656044436 /nfs/dbraw/zinc/04/44/36/656044436.db2.gz JFMQHMUUPVBPJA-ZJUUUORDSA-N 1 2 284.385 -1.666 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)c2cn[nH]n2)C1 ZINC001023457405 656046108 /nfs/dbraw/zinc/04/61/08/656046108.db2.gz OQXXYWHKOQGZLM-QMMMGPOBSA-N 1 2 266.305 -1.268 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@@H](CNC(=O)c2cn[nH]n2)C1 ZINC001023457405 656046110 /nfs/dbraw/zinc/04/61/10/656046110.db2.gz OQXXYWHKOQGZLM-QMMMGPOBSA-N 1 2 266.305 -1.268 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)c2cnn[nH]2)C1 ZINC001023457405 656046111 /nfs/dbraw/zinc/04/61/11/656046111.db2.gz OQXXYWHKOQGZLM-QMMMGPOBSA-N 1 2 266.305 -1.268 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@@H](CNC(=O)c2cnn[nH]2)C1 ZINC001023457405 656046112 /nfs/dbraw/zinc/04/61/12/656046112.db2.gz OQXXYWHKOQGZLM-QMMMGPOBSA-N 1 2 266.305 -1.268 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@H](CNC(=O)c2nnc[nH]2)C1 ZINC001023657487 656048782 /nfs/dbraw/zinc/04/87/82/656048782.db2.gz QOKUBQJNHRARQG-MRVPVSSYSA-N 1 2 266.305 -1.268 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@H](CNC(=O)c2nnc[nH]2)C1 ZINC001023657487 656048785 /nfs/dbraw/zinc/04/87/85/656048785.db2.gz QOKUBQJNHRARQG-MRVPVSSYSA-N 1 2 266.305 -1.268 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@H](CNC(=O)c2ncn[nH]2)C1 ZINC001023657487 656048786 /nfs/dbraw/zinc/04/87/86/656048786.db2.gz QOKUBQJNHRARQG-MRVPVSSYSA-N 1 2 266.305 -1.268 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@H](CNC(=O)c2ncn[nH]2)C1 ZINC001023657487 656048789 /nfs/dbraw/zinc/04/87/89/656048789.db2.gz QOKUBQJNHRARQG-MRVPVSSYSA-N 1 2 266.305 -1.268 20 0 CAADLO CNC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)c2ncn[nH]2)C1 ZINC001023656538 656048810 /nfs/dbraw/zinc/04/88/10/656048810.db2.gz ZQPRNULTPRHCHL-VIFPVBQESA-N 1 2 280.332 -1.008 20 0 CAADLO CNC(=O)C[N@H+]1CCC[C@@H](CNC(=O)c2ncn[nH]2)C1 ZINC001023656538 656048811 /nfs/dbraw/zinc/04/88/11/656048811.db2.gz ZQPRNULTPRHCHL-VIFPVBQESA-N 1 2 280.332 -1.008 20 0 CAADLO CNC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)c2nc[nH]n2)C1 ZINC001023656538 656048813 /nfs/dbraw/zinc/04/88/13/656048813.db2.gz ZQPRNULTPRHCHL-VIFPVBQESA-N 1 2 280.332 -1.008 20 0 CAADLO CNC(=O)C[N@H+]1CCC[C@@H](CNC(=O)c2nc[nH]n2)C1 ZINC001023656538 656048816 /nfs/dbraw/zinc/04/88/16/656048816.db2.gz ZQPRNULTPRHCHL-VIFPVBQESA-N 1 2 280.332 -1.008 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)c2nnc[nH]2)C1 ZINC001023657488 656049087 /nfs/dbraw/zinc/04/90/87/656049087.db2.gz QOKUBQJNHRARQG-QMMMGPOBSA-N 1 2 266.305 -1.268 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@@H](CNC(=O)c2nnc[nH]2)C1 ZINC001023657488 656049090 /nfs/dbraw/zinc/04/90/90/656049090.db2.gz QOKUBQJNHRARQG-QMMMGPOBSA-N 1 2 266.305 -1.268 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)c2ncn[nH]2)C1 ZINC001023657488 656049093 /nfs/dbraw/zinc/04/90/93/656049093.db2.gz QOKUBQJNHRARQG-QMMMGPOBSA-N 1 2 266.305 -1.268 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@@H](CNC(=O)c2ncn[nH]2)C1 ZINC001023657488 656049095 /nfs/dbraw/zinc/04/90/95/656049095.db2.gz QOKUBQJNHRARQG-QMMMGPOBSA-N 1 2 266.305 -1.268 20 0 CAADLO NC(=O)C(=O)N1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001011319327 656049699 /nfs/dbraw/zinc/04/96/99/656049699.db2.gz LEANWUZXCJCPIH-RKDXNWHRSA-N 1 2 291.311 -1.331 20 0 CAADLO NC(=O)C(=O)N1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001011319327 656049700 /nfs/dbraw/zinc/04/97/00/656049700.db2.gz LEANWUZXCJCPIH-RKDXNWHRSA-N 1 2 291.311 -1.331 20 0 CAADLO NC(=O)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCNC(=O)C1 ZINC001024391087 656051549 /nfs/dbraw/zinc/05/15/49/656051549.db2.gz OKHGDHPNLRTKMC-GHMZBOCLSA-N 1 2 296.371 -1.031 20 0 CAADLO NC(=O)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCNC(=O)C1 ZINC001024391087 656051552 /nfs/dbraw/zinc/05/15/52/656051552.db2.gz OKHGDHPNLRTKMC-GHMZBOCLSA-N 1 2 296.371 -1.031 20 0 CAADLO NC(=O)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1COCCO1 ZINC001024339859 656051765 /nfs/dbraw/zinc/05/17/65/656051765.db2.gz QZBJWAZWLYSHCM-GHMZBOCLSA-N 1 2 285.344 -1.142 20 0 CAADLO NC(=O)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1COCCO1 ZINC001024339859 656051767 /nfs/dbraw/zinc/05/17/67/656051767.db2.gz QZBJWAZWLYSHCM-GHMZBOCLSA-N 1 2 285.344 -1.142 20 0 CAADLO CN1CCOC[C@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1CC(N)=O ZINC001024401884 656052119 /nfs/dbraw/zinc/05/21/19/656052119.db2.gz KFUAXOMWZRBLCE-RYUDHWBXSA-N 1 2 298.387 -1.227 20 0 CAADLO CN1CCOC[C@H]1C(=O)NC[C@@H]1CCCC[N@H+]1CC(N)=O ZINC001024401884 656052121 /nfs/dbraw/zinc/05/21/21/656052121.db2.gz KFUAXOMWZRBLCE-RYUDHWBXSA-N 1 2 298.387 -1.227 20 0 CAADLO Cn1cc(C(=O)NC[C@@H]2CCCC[N@@H+]2CC(N)=O)nn1 ZINC001024421057 656052151 /nfs/dbraw/zinc/05/21/51/656052151.db2.gz YNXQVYLYLYJLBS-VIFPVBQESA-N 1 2 280.332 -1.115 20 0 CAADLO Cn1cc(C(=O)NC[C@@H]2CCCC[N@H+]2CC(N)=O)nn1 ZINC001024421057 656052152 /nfs/dbraw/zinc/05/21/52/656052152.db2.gz YNXQVYLYLYJLBS-VIFPVBQESA-N 1 2 280.332 -1.115 20 0 CAADLO O=C(Cn1cc[nH+]c1)N[C@@H]1CN(C(=O)C(F)F)C[C@H]1O ZINC001024413758 656052320 /nfs/dbraw/zinc/05/23/20/656052320.db2.gz SNGADMIPFGLMNJ-HTQZYQBOSA-N 1 2 288.254 -1.164 20 0 CAADLO NC(=O)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCNC1=O ZINC001024493368 656052447 /nfs/dbraw/zinc/05/24/47/656052447.db2.gz WPKRJWXZABBQRI-MNOVXSKESA-N 1 2 296.371 -1.031 20 0 CAADLO NC(=O)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCNC1=O ZINC001024493368 656052450 /nfs/dbraw/zinc/05/24/50/656052450.db2.gz WPKRJWXZABBQRI-MNOVXSKESA-N 1 2 296.371 -1.031 20 0 CAADLO NC(=O)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1COC(=O)N1 ZINC001024423083 656052587 /nfs/dbraw/zinc/05/25/87/656052587.db2.gz YABXUXGZJGSADI-DTWKUNHWSA-N 1 2 284.316 -1.449 20 0 CAADLO NC(=O)C[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1COC(=O)N1 ZINC001024423083 656052590 /nfs/dbraw/zinc/05/25/90/656052590.db2.gz YABXUXGZJGSADI-DTWKUNHWSA-N 1 2 284.316 -1.449 20 0 CAADLO NC(=O)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC(=O)NC1 ZINC001024520527 656052819 /nfs/dbraw/zinc/05/28/19/656052819.db2.gz KSXASTGLLGNWPB-GHMZBOCLSA-N 1 2 296.371 -1.031 20 0 CAADLO NC(=O)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC(=O)NC1 ZINC001024520527 656052823 /nfs/dbraw/zinc/05/28/23/656052823.db2.gz KSXASTGLLGNWPB-GHMZBOCLSA-N 1 2 296.371 -1.031 20 0 CAADLO NC(=O)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCC(=O)NC1 ZINC001024520528 656053292 /nfs/dbraw/zinc/05/32/92/656053292.db2.gz KSXASTGLLGNWPB-MNOVXSKESA-N 1 2 296.371 -1.031 20 0 CAADLO NC(=O)C[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCC(=O)NC1 ZINC001024520528 656053294 /nfs/dbraw/zinc/05/32/94/656053294.db2.gz KSXASTGLLGNWPB-MNOVXSKESA-N 1 2 296.371 -1.031 20 0 CAADLO CN1CC[C@H](C(=O)NC[C@H]2CCCC[N@@H+]2CC(N)=O)C1=O ZINC001024604093 656054082 /nfs/dbraw/zinc/05/40/82/656054082.db2.gz JLJNPHQIXCTGRD-GHMZBOCLSA-N 1 2 296.371 -1.079 20 0 CAADLO CN1CC[C@H](C(=O)NC[C@H]2CCCC[N@H+]2CC(N)=O)C1=O ZINC001024604093 656054085 /nfs/dbraw/zinc/05/40/85/656054085.db2.gz JLJNPHQIXCTGRD-GHMZBOCLSA-N 1 2 296.371 -1.079 20 0 CAADLO CN1CC[C@H](C(=O)NC[C@@H]2CCCC[N@@H+]2CC(N)=O)C1=O ZINC001024604099 656054095 /nfs/dbraw/zinc/05/40/95/656054095.db2.gz JLJNPHQIXCTGRD-WDEREUQCSA-N 1 2 296.371 -1.079 20 0 CAADLO CN1CC[C@H](C(=O)NC[C@@H]2CCCC[N@H+]2CC(N)=O)C1=O ZINC001024604099 656054098 /nfs/dbraw/zinc/05/40/98/656054098.db2.gz JLJNPHQIXCTGRD-WDEREUQCSA-N 1 2 296.371 -1.079 20 0 CAADLO CN1CC[C@@H](C(=O)NC[C@H]2CCCC[N@@H+]2CC(N)=O)C1=O ZINC001024604095 656054370 /nfs/dbraw/zinc/05/43/70/656054370.db2.gz JLJNPHQIXCTGRD-MNOVXSKESA-N 1 2 296.371 -1.079 20 0 CAADLO CN1CC[C@@H](C(=O)NC[C@H]2CCCC[N@H+]2CC(N)=O)C1=O ZINC001024604095 656054373 /nfs/dbraw/zinc/05/43/73/656054373.db2.gz JLJNPHQIXCTGRD-MNOVXSKESA-N 1 2 296.371 -1.079 20 0 CAADLO Cn1ncc(C(=O)NC[C@H]2CCCC[N@@H+]2CC(N)=O)n1 ZINC001024706073 656054673 /nfs/dbraw/zinc/05/46/73/656054673.db2.gz RXCRGIKTVNXYJN-SECBINFHSA-N 1 2 280.332 -1.115 20 0 CAADLO Cn1ncc(C(=O)NC[C@H]2CCCC[N@H+]2CC(N)=O)n1 ZINC001024706073 656054675 /nfs/dbraw/zinc/05/46/75/656054675.db2.gz RXCRGIKTVNXYJN-SECBINFHSA-N 1 2 280.332 -1.115 20 0 CAADLO CCN1C[C@@H](C(=O)N[C@@H]2CCC[N@H+](CC(N)=O)C2)CC1=O ZINC001007458607 656058584 /nfs/dbraw/zinc/05/85/84/656058584.db2.gz CTYRZWXACOWHFF-WDEREUQCSA-N 1 2 296.371 -1.079 20 0 CAADLO CCN1C[C@@H](C(=O)N[C@@H]2CCC[N@@H+](CC(N)=O)C2)CC1=O ZINC001007458607 656058586 /nfs/dbraw/zinc/05/85/86/656058586.db2.gz CTYRZWXACOWHFF-WDEREUQCSA-N 1 2 296.371 -1.079 20 0 CAADLO CCN1C[C@H](C(=O)N[C@H]2CCC[N@H+](CC(N)=O)C2)CC1=O ZINC001007458605 656058700 /nfs/dbraw/zinc/05/87/00/656058700.db2.gz CTYRZWXACOWHFF-MNOVXSKESA-N 1 2 296.371 -1.079 20 0 CAADLO CCN1C[C@H](C(=O)N[C@H]2CCC[N@@H+](CC(N)=O)C2)CC1=O ZINC001007458605 656058703 /nfs/dbraw/zinc/05/87/03/656058703.db2.gz CTYRZWXACOWHFF-MNOVXSKESA-N 1 2 296.371 -1.079 20 0 CAADLO CNC(=O)C[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCCNC2=O)C1 ZINC001007532013 656059303 /nfs/dbraw/zinc/05/93/03/656059303.db2.gz ONKJQFBMQIKUEE-QWRGUYRKSA-N 1 2 296.371 -1.161 20 0 CAADLO CNC(=O)C[N@H+]1CCC[C@H](NC(=O)[C@H]2CCCNC2=O)C1 ZINC001007532013 656059305 /nfs/dbraw/zinc/05/93/05/656059305.db2.gz ONKJQFBMQIKUEE-QWRGUYRKSA-N 1 2 296.371 -1.161 20 0 CAADLO CN1CC[C@H](CC(=O)N[C@H]2CCC[N@H+](CC(N)=O)C2)C1=O ZINC001007560505 656060230 /nfs/dbraw/zinc/06/02/30/656060230.db2.gz GUCRWYDZKJQTOL-MNOVXSKESA-N 1 2 296.371 -1.079 20 0 CAADLO CN1CC[C@H](CC(=O)N[C@H]2CCC[N@@H+](CC(N)=O)C2)C1=O ZINC001007560505 656060232 /nfs/dbraw/zinc/06/02/32/656060232.db2.gz GUCRWYDZKJQTOL-MNOVXSKESA-N 1 2 296.371 -1.079 20 0 CAADLO COCC(=O)N1C[C@@H](O)[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001025301105 656060261 /nfs/dbraw/zinc/06/02/61/656060261.db2.gz SZEBKHPWPXJMOK-RKDXNWHRSA-N 1 2 282.300 -1.714 20 0 CAADLO CO[C@@H](C)C(=O)N1C[C@@H](O)[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001025301276 656060266 /nfs/dbraw/zinc/06/02/66/656060266.db2.gz YVCXJJRDFXWHHZ-IVZWLZJFSA-N 1 2 296.327 -1.325 20 0 CAADLO NC(=O)C(=O)N1C[C@@H](O)[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001025302112 656060311 /nfs/dbraw/zinc/06/03/11/656060311.db2.gz HYRDSIHQFFOEIF-RNFRBKRXSA-N 1 2 281.272 -2.875 20 0 CAADLO CC(=O)N1C[C@@H](O)[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001025302837 656060324 /nfs/dbraw/zinc/06/03/24/656060324.db2.gz YUFQEUYTVOROPO-RKDXNWHRSA-N 1 2 252.274 -1.340 20 0 CAADLO NC(=O)C(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000973412467 656060831 /nfs/dbraw/zinc/06/08/31/656060831.db2.gz MLVYPILLNYISBM-FNCVBFRFSA-N 1 2 291.311 -1.238 20 0 CAADLO NC(=O)C(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC000973412467 656060833 /nfs/dbraw/zinc/06/08/33/656060833.db2.gz MLVYPILLNYISBM-FNCVBFRFSA-N 1 2 291.311 -1.238 20 0 CAADLO Cn1c[nH+]cc1CC(=O)N1C[C@@H](O)[C@H](NC(=O)C(N)=O)C1 ZINC001025381207 656062656 /nfs/dbraw/zinc/06/26/56/656062656.db2.gz FQFXPHVOXDXSLQ-RKDXNWHRSA-N 1 2 295.299 -2.864 20 0 CAADLO NC(=O)C(=O)N[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1O ZINC001025386466 656063911 /nfs/dbraw/zinc/06/39/11/656063911.db2.gz BQGILRMEWVJZMB-RKDXNWHRSA-N 1 2 295.299 -2.485 20 0 CAADLO NC(=O)C(=O)N[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1O ZINC001025386466 656063914 /nfs/dbraw/zinc/06/39/14/656063914.db2.gz BQGILRMEWVJZMB-RKDXNWHRSA-N 1 2 295.299 -2.485 20 0 CAADLO NC(=O)C(=O)N[C@H]1C[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000973526135 656064893 /nfs/dbraw/zinc/06/48/93/656064893.db2.gz CYDCFBBBUMNZMB-LJGSYFOKSA-N 1 2 265.273 -1.799 20 0 CAADLO Cc1nnc(C[NH2+][C@H]2CCN(C(=O)[C@@H]3CNC(=O)N3)C2)o1 ZINC001019309289 656065358 /nfs/dbraw/zinc/06/53/58/656065358.db2.gz VUOSXKVNZPXEEB-IUCAKERBSA-N 1 2 294.315 -1.250 20 0 CAADLO COC1(C(=O)N[C@@H](CO)C[NH+](C)C)CS(=O)(=O)C1 ZINC000935981245 656065385 /nfs/dbraw/zinc/06/53/85/656065385.db2.gz ODFRPMZZLXYTDN-MRVPVSSYSA-N 1 2 280.346 -2.161 20 0 CAADLO CC(C)C[C@@H](O)CNC(=O)CN1CC[NH2+]CC1=O ZINC000236633186 656065739 /nfs/dbraw/zinc/06/57/39/656065739.db2.gz NBUCPHMLONPYIU-SNVBAGLBSA-N 1 2 257.334 -1.059 20 0 CAADLO CC(=O)N1C[C@@H](O)[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001025803541 656067921 /nfs/dbraw/zinc/06/79/21/656067921.db2.gz COAHNELXMQWLDF-NXEZZACHSA-N 1 2 252.274 -1.340 20 0 CAADLO COCC(=O)N1C[C@@H](O)[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001025803768 656068292 /nfs/dbraw/zinc/06/82/92/656068292.db2.gz LCCOTWRICUZHNS-NXEZZACHSA-N 1 2 282.300 -1.714 20 0 CAADLO NC(=O)CC(=O)N1C[C@@H](O)[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001025803516 656068304 /nfs/dbraw/zinc/06/83/04/656068304.db2.gz BNFOCURFVXOIFM-RKDXNWHRSA-N 1 2 295.299 -2.485 20 0 CAADLO Cn1nnc(C[NH2+][C@H]2C[C@H](NC(=O)[C@H]3COCCO3)C2)n1 ZINC001019996516 656069069 /nfs/dbraw/zinc/06/90/69/656069069.db2.gz HGJHVJQLSILKTH-OPRDCNLKSA-N 1 2 296.331 -1.638 20 0 CAADLO CNC(=O)C[N@@H+]1CCC[C@H](NC(=O)[C@]2(C)CNC(=O)C2)C1 ZINC001008022446 656072699 /nfs/dbraw/zinc/07/26/99/656072699.db2.gz DHXRQOUKHHFLPL-HZMBPMFUSA-N 1 2 296.371 -1.161 20 0 CAADLO CNC(=O)C[N@H+]1CCC[C@H](NC(=O)[C@]2(C)CNC(=O)C2)C1 ZINC001008022446 656072701 /nfs/dbraw/zinc/07/27/01/656072701.db2.gz DHXRQOUKHHFLPL-HZMBPMFUSA-N 1 2 296.371 -1.161 20 0 CAADLO CNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)[C@]2(C)CNC(=O)C2)C1 ZINC001008022466 656073062 /nfs/dbraw/zinc/07/30/62/656073062.db2.gz DHXRQOUKHHFLPL-YGRLFVJLSA-N 1 2 296.371 -1.161 20 0 CAADLO CNC(=O)C[N@H+]1CCC[C@@H](NC(=O)[C@]2(C)CNC(=O)C2)C1 ZINC001008022466 656073064 /nfs/dbraw/zinc/07/30/64/656073064.db2.gz DHXRQOUKHHFLPL-YGRLFVJLSA-N 1 2 296.371 -1.161 20 0 CAADLO C[C@H]1C[C@H](NC(=O)C(N)=O)CC[N@@H+]1Cc1nc(=O)n(C)[nH]1 ZINC000947672523 656073511 /nfs/dbraw/zinc/07/35/11/656073511.db2.gz VCDXQIOPTBFPMI-JGVFFNPUSA-N 1 2 296.331 -1.937 20 0 CAADLO C[C@H]1C[C@H](NC(=O)C(N)=O)CC[N@H+]1Cc1nc(=O)n(C)[nH]1 ZINC000947672523 656073512 /nfs/dbraw/zinc/07/35/12/656073512.db2.gz VCDXQIOPTBFPMI-JGVFFNPUSA-N 1 2 296.331 -1.937 20 0 CAADLO CN(C)C(=O)C[N@@H+]1CCC[C@@H](NC(=O)c2nnn(C)n2)C1 ZINC001008214799 656074044 /nfs/dbraw/zinc/07/40/44/656074044.db2.gz PSCBCRVTGNRLKU-SECBINFHSA-N 1 2 295.347 -1.508 20 0 CAADLO CN(C)C(=O)C[N@H+]1CCC[C@@H](NC(=O)c2nnn(C)n2)C1 ZINC001008214799 656074047 /nfs/dbraw/zinc/07/40/47/656074047.db2.gz PSCBCRVTGNRLKU-SECBINFHSA-N 1 2 295.347 -1.508 20 0 CAADLO Cn1nnc(C(=O)N[C@H]2CCC[N@@H+]([C@H]3CCNC3=O)C2)n1 ZINC001008214514 656074091 /nfs/dbraw/zinc/07/40/91/656074091.db2.gz OTPQTMWXYHMBKL-IUCAKERBSA-N 1 2 293.331 -1.707 20 0 CAADLO Cn1nnc(C(=O)N[C@H]2CCC[N@H+]([C@H]3CCNC3=O)C2)n1 ZINC001008214514 656074093 /nfs/dbraw/zinc/07/40/93/656074093.db2.gz OTPQTMWXYHMBKL-IUCAKERBSA-N 1 2 293.331 -1.707 20 0 CAADLO Cn1nnc(C(=O)N[C@H]2CCC[N@@H+]([C@@H]3CCNC3=O)C2)n1 ZINC001008214506 656074244 /nfs/dbraw/zinc/07/42/44/656074244.db2.gz OTPQTMWXYHMBKL-DTWKUNHWSA-N 1 2 293.331 -1.707 20 0 CAADLO Cn1nnc(C(=O)N[C@H]2CCC[N@H+]([C@@H]3CCNC3=O)C2)n1 ZINC001008214506 656074245 /nfs/dbraw/zinc/07/42/45/656074245.db2.gz OTPQTMWXYHMBKL-DTWKUNHWSA-N 1 2 293.331 -1.707 20 0 CAADLO NC(=O)C(=O)N[C@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000974277059 656074485 /nfs/dbraw/zinc/07/44/85/656074485.db2.gz NDNITWWCZXYURN-OCAPTIKFSA-N 1 2 265.273 -1.868 20 0 CAADLO Cn1cc(C[N@@H+]2CCC[C@@H](NC(=O)C(N)=O)C2)cn1 ZINC001008358413 656075518 /nfs/dbraw/zinc/07/55/18/656075518.db2.gz ABNLWWKFNSLDOM-SNVBAGLBSA-N 1 2 265.317 -1.014 20 0 CAADLO Cn1cc(C[N@H+]2CCC[C@@H](NC(=O)C(N)=O)C2)cn1 ZINC001008358413 656075519 /nfs/dbraw/zinc/07/55/19/656075519.db2.gz ABNLWWKFNSLDOM-SNVBAGLBSA-N 1 2 265.317 -1.014 20 0 CAADLO CN(C(=O)C[N@@H+]1CCC[C@@H](NC(=O)C(N)=O)C1)C1CC1 ZINC001008364714 656075533 /nfs/dbraw/zinc/07/55/33/656075533.db2.gz JSGRCWCTLSWOBL-SECBINFHSA-N 1 2 282.344 -1.327 20 0 CAADLO CN(C(=O)C[N@H+]1CCC[C@@H](NC(=O)C(N)=O)C1)C1CC1 ZINC001008364714 656075534 /nfs/dbraw/zinc/07/55/34/656075534.db2.gz JSGRCWCTLSWOBL-SECBINFHSA-N 1 2 282.344 -1.327 20 0 CAADLO C[C@@H](C(=O)N(C)C)[N@@H+]1CCC[C@@H](NC(=O)C(N)=O)C1 ZINC001008373333 656075844 /nfs/dbraw/zinc/07/58/44/656075844.db2.gz QWHVRQYDKUIKCT-DTWKUNHWSA-N 1 2 270.333 -1.471 20 0 CAADLO C[C@@H](C(=O)N(C)C)[N@H+]1CCC[C@@H](NC(=O)C(N)=O)C1 ZINC001008373333 656075847 /nfs/dbraw/zinc/07/58/47/656075847.db2.gz QWHVRQYDKUIKCT-DTWKUNHWSA-N 1 2 270.333 -1.471 20 0 CAADLO Cn1c[nH+]cc1CN1CCN(C(=O)C(N)=O)CC1 ZINC000949967085 656077296 /nfs/dbraw/zinc/07/72/96/656077296.db2.gz LHQGFBBWZOASFP-UHFFFAOYSA-N 1 2 251.290 -1.450 20 0 CAADLO Cn1nccc1CC[NH+]1CCN(C(=O)C(N)=O)CC1 ZINC000949973504 656077451 /nfs/dbraw/zinc/07/74/51/656077451.db2.gz MDLOBIWRXWEMAS-UHFFFAOYSA-N 1 2 265.317 -1.408 20 0 CAADLO CNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001008544445 656077870 /nfs/dbraw/zinc/07/78/70/656077870.db2.gz APQXCGMTHXLPHZ-BBBLOLIVSA-N 1 2 282.344 -1.566 20 0 CAADLO CNC(=O)C[N@H+]1CCC[C@@H](NC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001008544445 656077872 /nfs/dbraw/zinc/07/78/72/656077872.db2.gz APQXCGMTHXLPHZ-BBBLOLIVSA-N 1 2 282.344 -1.566 20 0 CAADLO Cn1ncc(C(=O)N[C@@H]2C[N@H+](CC(N)=O)CC2(C)C)c1N ZINC000974480580 656078289 /nfs/dbraw/zinc/07/82/89/656078289.db2.gz RJGGWIVVRIMFAI-SECBINFHSA-N 1 2 294.359 -1.072 20 0 CAADLO Cn1ncc(C(=O)N[C@@H]2C[N@@H+](CC(N)=O)CC2(C)C)c1N ZINC000974480580 656078291 /nfs/dbraw/zinc/07/82/91/656078291.db2.gz RJGGWIVVRIMFAI-SECBINFHSA-N 1 2 294.359 -1.072 20 0 CAADLO Cn1nncc1C(=O)N[C@H]1C[N@H+](CC(N)=O)CC1(C)C ZINC000974535263 656078314 /nfs/dbraw/zinc/07/83/14/656078314.db2.gz CWCYWSFFSXVSMW-VIFPVBQESA-N 1 2 280.332 -1.259 20 0 CAADLO Cn1nncc1C(=O)N[C@H]1C[N@@H+](CC(N)=O)CC1(C)C ZINC000974535263 656078316 /nfs/dbraw/zinc/07/83/16/656078316.db2.gz CWCYWSFFSXVSMW-VIFPVBQESA-N 1 2 280.332 -1.259 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@@H](NC(=O)C[C@H]2CCC(=O)N2)C1 ZINC001008842890 656080181 /nfs/dbraw/zinc/08/01/81/656080181.db2.gz AKOXNCCNSFOJGI-NXEZZACHSA-N 1 2 282.344 -1.279 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@@H](NC(=O)C[C@H]2CCC(=O)N2)C1 ZINC001008842890 656080185 /nfs/dbraw/zinc/08/01/85/656080185.db2.gz AKOXNCCNSFOJGI-NXEZZACHSA-N 1 2 282.344 -1.279 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)C(N)=O)C(C)(C)C1 ZINC000974990347 656080383 /nfs/dbraw/zinc/08/03/83/656080383.db2.gz AGPRSNVTJVOVDE-NKWVEPMBSA-N 1 2 256.306 -1.828 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)C(N)=O)C(C)(C)C1 ZINC000974990347 656080385 /nfs/dbraw/zinc/08/03/85/656080385.db2.gz AGPRSNVTJVOVDE-NKWVEPMBSA-N 1 2 256.306 -1.828 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@H](NC(=O)c2ccc(=O)[nH]n2)C1 ZINC001006683506 656081205 /nfs/dbraw/zinc/08/12/05/656081205.db2.gz XZGTXPZNPKSXHN-QMMMGPOBSA-N 1 2 279.300 -1.138 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@H](NC(=O)c2ccc(=O)[nH]n2)C1 ZINC001006683506 656081206 /nfs/dbraw/zinc/08/12/06/656081206.db2.gz XZGTXPZNPKSXHN-QMMMGPOBSA-N 1 2 279.300 -1.138 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CCC[C@H](NC(=O)Cn2cnnn2)C1 ZINC001006686255 656081209 /nfs/dbraw/zinc/08/12/09/656081209.db2.gz SMQLMCIHSUHRKD-IUCAKERBSA-N 1 2 281.320 -1.873 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CCC[C@H](NC(=O)Cn2cnnn2)C1 ZINC001006686255 656081211 /nfs/dbraw/zinc/08/12/11/656081211.db2.gz SMQLMCIHSUHRKD-IUCAKERBSA-N 1 2 281.320 -1.873 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CCC[C@@H](NC(=O)Cn2cnnn2)C1 ZINC001006686256 656081345 /nfs/dbraw/zinc/08/13/45/656081345.db2.gz SMQLMCIHSUHRKD-RKDXNWHRSA-N 1 2 281.320 -1.873 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CCC[C@@H](NC(=O)Cn2cnnn2)C1 ZINC001006686256 656081349 /nfs/dbraw/zinc/08/13/49/656081349.db2.gz SMQLMCIHSUHRKD-RKDXNWHRSA-N 1 2 281.320 -1.873 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CCC[C@@H](NC(=O)Cn2cnnn2)C1 ZINC001006686254 656081400 /nfs/dbraw/zinc/08/14/00/656081400.db2.gz SMQLMCIHSUHRKD-DTWKUNHWSA-N 1 2 281.320 -1.873 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CCC[C@@H](NC(=O)Cn2cnnn2)C1 ZINC001006686254 656081403 /nfs/dbraw/zinc/08/14/03/656081403.db2.gz SMQLMCIHSUHRKD-DTWKUNHWSA-N 1 2 281.320 -1.873 20 0 CAADLO O=C(Cc1nc[nH]n1)N[C@@H]1CCC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001009131347 656081424 /nfs/dbraw/zinc/08/14/24/656081424.db2.gz LIHIGJDIBCXDKU-ZJUUUORDSA-N 1 2 292.343 -1.184 20 0 CAADLO O=C(Cc1nc[nH]n1)N[C@@H]1CCC[N@H+]([C@H]2CCNC2=O)C1 ZINC001009131347 656081426 /nfs/dbraw/zinc/08/14/26/656081426.db2.gz LIHIGJDIBCXDKU-ZJUUUORDSA-N 1 2 292.343 -1.184 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@@H](NC(=O)Cn2cnnn2)C1 ZINC001006685223 656081432 /nfs/dbraw/zinc/08/14/32/656081432.db2.gz ONMFPLRZYXGHPR-MRVPVSSYSA-N 1 2 267.293 -2.261 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@@H](NC(=O)Cn2cnnn2)C1 ZINC001006685223 656081434 /nfs/dbraw/zinc/08/14/34/656081434.db2.gz ONMFPLRZYXGHPR-MRVPVSSYSA-N 1 2 267.293 -2.261 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@@H](NC(=O)c2ccc(=O)[nH]n2)C1 ZINC001006683474 656081476 /nfs/dbraw/zinc/08/14/76/656081476.db2.gz XZGTXPZNPKSXHN-MRVPVSSYSA-N 1 2 279.300 -1.138 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@@H](NC(=O)c2ccc(=O)[nH]n2)C1 ZINC001006683474 656081478 /nfs/dbraw/zinc/08/14/78/656081478.db2.gz XZGTXPZNPKSXHN-MRVPVSSYSA-N 1 2 279.300 -1.138 20 0 CAADLO O=C(Cc1nc[nH]n1)N[C@H]1CCC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001009131343 656081540 /nfs/dbraw/zinc/08/15/40/656081540.db2.gz LIHIGJDIBCXDKU-VHSXEESVSA-N 1 2 292.343 -1.184 20 0 CAADLO O=C(Cc1nc[nH]n1)N[C@H]1CCC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001009131343 656081543 /nfs/dbraw/zinc/08/15/43/656081543.db2.gz LIHIGJDIBCXDKU-VHSXEESVSA-N 1 2 292.343 -1.184 20 0 CAADLO CNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)CN2CCCC2=O)C1 ZINC001006707485 656082879 /nfs/dbraw/zinc/08/28/79/656082879.db2.gz SWGLMBUBXBSRAO-LLVKDONJSA-N 1 2 296.371 -1.065 20 0 CAADLO CNC(=O)C[N@H+]1CCC[C@@H](NC(=O)CN2CCCC2=O)C1 ZINC001006707485 656082883 /nfs/dbraw/zinc/08/28/83/656082883.db2.gz SWGLMBUBXBSRAO-LLVKDONJSA-N 1 2 296.371 -1.065 20 0 CAADLO O=C(c1cn([C@H]2CCOC2)nn1)N1CC[NH+](CCO)CC1 ZINC000957112872 656084307 /nfs/dbraw/zinc/08/43/07/656084307.db2.gz RMJSQOGWWNVRFH-NSHDSACASA-N 1 2 295.343 -1.010 20 0 CAADLO Cn1c[nH+]cc1CC(=O)N[C@@H]1[C@H]2CN(C(=O)C(N)=O)C[C@H]21 ZINC000976873234 656084454 /nfs/dbraw/zinc/08/44/54/656084454.db2.gz VNJCEFGFSKWSGH-JZYVYDRUSA-N 1 2 291.311 -1.979 20 0 CAADLO NC(=O)C(=O)N[C@@H]1CCCC[C@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC000977136776 656087915 /nfs/dbraw/zinc/08/79/15/656087915.db2.gz DQNUTXPCMVUVJQ-NXEZZACHSA-N 1 2 293.327 -1.019 20 0 CAADLO NC(=O)C(=O)N[C@@H]1[C@H]2CN(C(=O)CCc3[nH]cc[nH+]3)C[C@H]21 ZINC000977081144 656087945 /nfs/dbraw/zinc/08/79/45/656087945.db2.gz WYYTXESGYGYJPJ-VROVMSAKSA-N 1 2 291.311 -1.599 20 0 CAADLO Cn1c[nH+]cc1CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(N)=O ZINC000977081220 656088065 /nfs/dbraw/zinc/08/80/65/656088065.db2.gz YLSXLDZFRJGXRB-JZYVYDRUSA-N 1 2 291.311 -1.979 20 0 CAADLO Cn1ncc(C(=O)N[C@@H]2C[N@H+](CC(N)=O)CC2(C)C)n1 ZINC000977340810 656088605 /nfs/dbraw/zinc/08/86/05/656088605.db2.gz ZUSWGQWMKVQYAR-SECBINFHSA-N 1 2 280.332 -1.259 20 0 CAADLO Cn1ncc(C(=O)N[C@@H]2C[N@@H+](CC(N)=O)CC2(C)C)n1 ZINC000977340810 656088608 /nfs/dbraw/zinc/08/86/08/656088608.db2.gz ZUSWGQWMKVQYAR-SECBINFHSA-N 1 2 280.332 -1.259 20 0 CAADLO Cn1nncc1C[N@H+](C)[C@H]1CCCN(C(=O)C(N)=O)C1 ZINC001027553170 656089452 /nfs/dbraw/zinc/08/94/52/656089452.db2.gz QBSCODHVOUSVAY-VIFPVBQESA-N 1 2 280.332 -1.277 20 0 CAADLO Cn1nncc1C[N@@H+](C)[C@H]1CCCN(C(=O)C(N)=O)C1 ZINC001027553170 656089454 /nfs/dbraw/zinc/08/94/54/656089454.db2.gz QBSCODHVOUSVAY-VIFPVBQESA-N 1 2 280.332 -1.277 20 0 CAADLO NC(=O)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3cnn[nH]3)[C@@H]2C1 ZINC000978401364 656092225 /nfs/dbraw/zinc/09/22/25/656092225.db2.gz ZECAWVMGSJLAJR-WHUPJOBBSA-N 1 2 264.289 -1.802 20 0 CAADLO NC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3cnn[nH]3)[C@@H]2C1 ZINC000978401364 656092228 /nfs/dbraw/zinc/09/22/28/656092228.db2.gz ZECAWVMGSJLAJR-WHUPJOBBSA-N 1 2 264.289 -1.802 20 0 CAADLO O=C(C[N@@H+]1CC[C@@H](NC(=O)C2CC2)C1)N1CCNC(=O)C1 ZINC001009830221 656092315 /nfs/dbraw/zinc/09/23/15/656092315.db2.gz FOEAJGUKRQMWRL-LLVKDONJSA-N 1 2 294.355 -1.455 20 0 CAADLO O=C(C[N@H+]1CC[C@@H](NC(=O)C2CC2)C1)N1CCNC(=O)C1 ZINC001009830221 656092318 /nfs/dbraw/zinc/09/23/18/656092318.db2.gz FOEAJGUKRQMWRL-LLVKDONJSA-N 1 2 294.355 -1.455 20 0 CAADLO C[C@@H]([NH2+]Cc1csnn1)[C@H]1CN(C(=O)C(N)=O)CCO1 ZINC000979358929 656094575 /nfs/dbraw/zinc/09/45/75/656094575.db2.gz MYNDZQDQFBQNHQ-VXNVDRBHSA-N 1 2 299.356 -1.271 20 0 CAADLO Cc1c(C(=O)NC[C@@H]2CCC[N@@H+]2CC(N)=O)nnn1C ZINC001027803937 656094619 /nfs/dbraw/zinc/09/46/19/656094619.db2.gz RBNAXQCDHXPWKG-VIFPVBQESA-N 1 2 280.332 -1.197 20 0 CAADLO Cc1c(C(=O)NC[C@@H]2CCC[N@H+]2CC(N)=O)nnn1C ZINC001027803937 656094621 /nfs/dbraw/zinc/09/46/21/656094621.db2.gz RBNAXQCDHXPWKG-VIFPVBQESA-N 1 2 280.332 -1.197 20 0 CAADLO Cc1noc(C[NH2+][C@@H](C)[C@H]2CN(C(=O)C(N)=O)CCO2)n1 ZINC000979355606 656094638 /nfs/dbraw/zinc/09/46/38/656094638.db2.gz GOFALRXNISYVKZ-IONNQARKSA-N 1 2 297.315 -1.431 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)c1nccnc1N ZINC001027800148 656094986 /nfs/dbraw/zinc/09/49/86/656094986.db2.gz QEIUXKXNYRQQSY-MRVPVSSYSA-N 1 2 278.316 -1.262 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)c1nccnc1N ZINC001027800148 656094989 /nfs/dbraw/zinc/09/49/89/656094989.db2.gz QEIUXKXNYRQQSY-MRVPVSSYSA-N 1 2 278.316 -1.262 20 0 CAADLO C[C@@H]([NH2+]Cc1cnsn1)[C@H]1CN(C(=O)C(N)=O)CCO1 ZINC000979357777 656095002 /nfs/dbraw/zinc/09/50/02/656095002.db2.gz LHIBCNISIDGMFK-VXNVDRBHSA-N 1 2 299.356 -1.271 20 0 CAADLO Cc1noc(C[NH2+][C@H](C)[C@@H]2CN(C(=O)C(N)=O)CCO2)n1 ZINC000979355600 656095022 /nfs/dbraw/zinc/09/50/22/656095022.db2.gz GOFALRXNISYVKZ-APPZFPTMSA-N 1 2 297.315 -1.431 20 0 CAADLO C[C@H]([NH2+]Cc1cnsn1)[C@H]1CN(C(=O)C(N)=O)CCO1 ZINC000979357774 656095173 /nfs/dbraw/zinc/09/51/73/656095173.db2.gz LHIBCNISIDGMFK-IONNQARKSA-N 1 2 299.356 -1.271 20 0 CAADLO Cc1nnc(C[NH2+][C@@H](C)[C@H]2CN(C(=O)C(N)=O)CCO2)o1 ZINC000979359708 656095205 /nfs/dbraw/zinc/09/52/05/656095205.db2.gz NMQNCPCUAJBKAU-IONNQARKSA-N 1 2 297.315 -1.431 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CCC[C@H]1CNC(=O)c1ncn(C)n1 ZINC001027865150 656097297 /nfs/dbraw/zinc/09/72/97/656097297.db2.gz LYYMDMUNLASCKJ-BDAKNGLRSA-N 1 2 280.332 -1.117 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CCC[C@H]1CNC(=O)c1ncn(C)n1 ZINC001027865150 656097299 /nfs/dbraw/zinc/09/72/99/656097299.db2.gz LYYMDMUNLASCKJ-BDAKNGLRSA-N 1 2 280.332 -1.117 20 0 CAADLO CNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ncn(C)n1 ZINC001027865519 656097574 /nfs/dbraw/zinc/09/75/74/656097574.db2.gz OMUJFPOCASULRP-SECBINFHSA-N 1 2 280.332 -1.245 20 0 CAADLO CNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)c1ncn(C)n1 ZINC001027865519 656097577 /nfs/dbraw/zinc/09/75/77/656097577.db2.gz OMUJFPOCASULRP-SECBINFHSA-N 1 2 280.332 -1.245 20 0 CAADLO CCn1nncc1C(=O)NC[C@@H]1CCC[N@@H+]1CC(N)=O ZINC001027871415 656097844 /nfs/dbraw/zinc/09/78/44/656097844.db2.gz MLLONEZKUQNQRU-VIFPVBQESA-N 1 2 280.332 -1.023 20 0 CAADLO CCn1nncc1C(=O)NC[C@@H]1CCC[N@H+]1CC(N)=O ZINC001027871415 656097846 /nfs/dbraw/zinc/09/78/46/656097846.db2.gz MLLONEZKUQNQRU-VIFPVBQESA-N 1 2 280.332 -1.023 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CCCN(C(=O)Cn2cnnn2)CC1 ZINC000980677424 656099436 /nfs/dbraw/zinc/09/94/36/656099436.db2.gz MLAPBXXATMBSEG-SECBINFHSA-N 1 2 281.320 -1.919 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CCCN(C(=O)Cn2cnnn2)CC1 ZINC000980677424 656099440 /nfs/dbraw/zinc/09/94/40/656099440.db2.gz MLAPBXXATMBSEG-SECBINFHSA-N 1 2 281.320 -1.919 20 0 CAADLO NC(=O)C(=O)NC1CCC(NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000980518465 656099498 /nfs/dbraw/zinc/09/94/98/656099498.db2.gz XIHQQMCTOMRPNF-UHFFFAOYSA-N 1 2 293.327 -1.019 20 0 CAADLO NC(=O)C(=O)NC1CCC(NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC000980529620 656099911 /nfs/dbraw/zinc/09/99/11/656099911.db2.gz FVJVLZRNMSJVFF-UHFFFAOYSA-N 1 2 293.327 -1.019 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CCCN(C(=O)[C@@H]2COCCO2)CC1 ZINC000980739536 656100055 /nfs/dbraw/zinc/10/00/55/656100055.db2.gz BEBWKRAEQVXPKL-QWRGUYRKSA-N 1 2 285.344 -1.190 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CCCN(C(=O)[C@@H]2COCCO2)CC1 ZINC000980739536 656100058 /nfs/dbraw/zinc/10/00/58/656100058.db2.gz BEBWKRAEQVXPKL-QWRGUYRKSA-N 1 2 285.344 -1.190 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CCCN(C(=O)[C@@H]2COCCO2)CC1 ZINC000980739535 656100223 /nfs/dbraw/zinc/10/02/23/656100223.db2.gz BEBWKRAEQVXPKL-MNOVXSKESA-N 1 2 285.344 -1.190 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CCCN(C(=O)[C@@H]2COCCO2)CC1 ZINC000980739535 656100225 /nfs/dbraw/zinc/10/02/25/656100225.db2.gz BEBWKRAEQVXPKL-MNOVXSKESA-N 1 2 285.344 -1.190 20 0 CAADLO NC(=O)C[N@@H+]1CCCN(C(=O)CCn2cncn2)CC1 ZINC000980715019 656100442 /nfs/dbraw/zinc/10/04/42/656100442.db2.gz BLVZBWRHIDLOAA-UHFFFAOYSA-N 1 2 280.332 -1.312 20 0 CAADLO NC(=O)C[N@H+]1CCCN(C(=O)CCn2cncn2)CC1 ZINC000980715019 656100443 /nfs/dbraw/zinc/10/04/43/656100443.db2.gz BLVZBWRHIDLOAA-UHFFFAOYSA-N 1 2 280.332 -1.312 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CCCN(C(=O)[C@H]2COCCO2)CC1 ZINC000980739537 656100529 /nfs/dbraw/zinc/10/05/29/656100529.db2.gz BEBWKRAEQVXPKL-WDEREUQCSA-N 1 2 285.344 -1.190 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CCCN(C(=O)[C@H]2COCCO2)CC1 ZINC000980739537 656100532 /nfs/dbraw/zinc/10/05/32/656100532.db2.gz BEBWKRAEQVXPKL-WDEREUQCSA-N 1 2 285.344 -1.190 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CCCN(C(=O)[C@H]2COCCO2)CC1 ZINC000980739534 656100711 /nfs/dbraw/zinc/10/07/11/656100711.db2.gz BEBWKRAEQVXPKL-GHMZBOCLSA-N 1 2 285.344 -1.190 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CCCN(C(=O)[C@H]2COCCO2)CC1 ZINC000980739534 656100713 /nfs/dbraw/zinc/10/07/13/656100713.db2.gz BEBWKRAEQVXPKL-GHMZBOCLSA-N 1 2 285.344 -1.190 20 0 CAADLO O=C([C@H]1CCC(=O)N1)N1CCC[N@@H+]([C@@H]2CCNC2=O)CC1 ZINC000980839227 656101083 /nfs/dbraw/zinc/10/10/83/656101083.db2.gz COIGHFSZQCSFGN-GHMZBOCLSA-N 1 2 294.355 -1.312 20 0 CAADLO O=C([C@H]1CCC(=O)N1)N1CCC[N@H+]([C@@H]2CCNC2=O)CC1 ZINC000980839227 656101086 /nfs/dbraw/zinc/10/10/86/656101086.db2.gz COIGHFSZQCSFGN-GHMZBOCLSA-N 1 2 294.355 -1.312 20 0 CAADLO O=C([C@H]1CCC(=O)N1)N1CCC[N@@H+]([C@H]2CCNC2=O)CC1 ZINC000980839228 656101223 /nfs/dbraw/zinc/10/12/23/656101223.db2.gz COIGHFSZQCSFGN-MNOVXSKESA-N 1 2 294.355 -1.312 20 0 CAADLO O=C([C@H]1CCC(=O)N1)N1CCC[N@H+]([C@H]2CCNC2=O)CC1 ZINC000980839228 656101224 /nfs/dbraw/zinc/10/12/24/656101224.db2.gz COIGHFSZQCSFGN-MNOVXSKESA-N 1 2 294.355 -1.312 20 0 CAADLO C[C@H](C(N)=O)N1CCCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000980892990 656101256 /nfs/dbraw/zinc/10/12/56/656101256.db2.gz CYWSDCWEQBUSHE-VXGBXAGGSA-N 1 2 298.387 -1.275 20 0 CAADLO C[C@H](C(N)=O)N1CCCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000980892990 656101259 /nfs/dbraw/zinc/10/12/59/656101259.db2.gz CYWSDCWEQBUSHE-VXGBXAGGSA-N 1 2 298.387 -1.275 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CCCN(C(=O)[C@@H]2CCNC(=O)C2)CC1 ZINC000980962783 656101564 /nfs/dbraw/zinc/10/15/64/656101564.db2.gz MTZNLAJDGAJIDP-GHMZBOCLSA-N 1 2 296.371 -1.079 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CCCN(C(=O)[C@@H]2CCNC(=O)C2)CC1 ZINC000980962783 656101567 /nfs/dbraw/zinc/10/15/67/656101567.db2.gz MTZNLAJDGAJIDP-GHMZBOCLSA-N 1 2 296.371 -1.079 20 0 CAADLO O=C(C[N@@H+]1CC[C@H](NC(=O)[C@@H]2COCCO2)C1)N1CCC1 ZINC001010255966 656101657 /nfs/dbraw/zinc/10/16/57/656101657.db2.gz OTEPPWPTMJBVAG-RYUDHWBXSA-N 1 2 297.355 -1.175 20 0 CAADLO O=C(C[N@H+]1CC[C@H](NC(=O)[C@@H]2COCCO2)C1)N1CCC1 ZINC001010255966 656101660 /nfs/dbraw/zinc/10/16/60/656101660.db2.gz OTEPPWPTMJBVAG-RYUDHWBXSA-N 1 2 297.355 -1.175 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2COCCO2)C1 ZINC001010255816 656101670 /nfs/dbraw/zinc/10/16/70/656101670.db2.gz OPHGMVYAEFZJOR-RKDXNWHRSA-N 1 2 257.290 -1.922 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@H]2COCCO2)C1 ZINC001010255816 656101673 /nfs/dbraw/zinc/10/16/73/656101673.db2.gz OPHGMVYAEFZJOR-RKDXNWHRSA-N 1 2 257.290 -1.922 20 0 CAADLO CN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2COCCO2)C1 ZINC001010261258 656101700 /nfs/dbraw/zinc/10/17/00/656101700.db2.gz YPMJZBKDSQEYBF-MNOVXSKESA-N 1 2 285.344 -1.320 20 0 CAADLO CN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2COCCO2)C1 ZINC001010261258 656101703 /nfs/dbraw/zinc/10/17/03/656101703.db2.gz YPMJZBKDSQEYBF-MNOVXSKESA-N 1 2 285.344 -1.320 20 0 CAADLO NC(=O)C[N@@H+]1CCCN(C(=O)[C@H]2CCNC(=O)C2)CC1 ZINC000980964563 656101773 /nfs/dbraw/zinc/10/17/73/656101773.db2.gz UNHAQKBKSKKNKK-JTQLQIEISA-N 1 2 282.344 -1.468 20 0 CAADLO NC(=O)C[N@H+]1CCCN(C(=O)[C@H]2CCNC(=O)C2)CC1 ZINC000980964563 656101775 /nfs/dbraw/zinc/10/17/75/656101775.db2.gz UNHAQKBKSKKNKK-JTQLQIEISA-N 1 2 282.344 -1.468 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CCCN(C(=O)[C@@H]2COC(=O)N2)CC1 ZINC000981060407 656101955 /nfs/dbraw/zinc/10/19/55/656101955.db2.gz ZCMILZAJELEXDZ-BDAKNGLRSA-N 1 2 284.316 -1.497 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CCCN(C(=O)[C@@H]2COC(=O)N2)CC1 ZINC000981060407 656101957 /nfs/dbraw/zinc/10/19/57/656101957.db2.gz ZCMILZAJELEXDZ-BDAKNGLRSA-N 1 2 284.316 -1.497 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CCCN(C(=O)CN2CN=NC2=O)CC1 ZINC000981005850 656101989 /nfs/dbraw/zinc/10/19/89/656101989.db2.gz XGRZREKKSJCSIX-SECBINFHSA-N 1 2 296.331 -1.608 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CCCN(C(=O)CN2CN=NC2=O)CC1 ZINC000981005850 656101994 /nfs/dbraw/zinc/10/19/94/656101994.db2.gz XGRZREKKSJCSIX-SECBINFHSA-N 1 2 296.331 -1.608 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2COCCO2)C1 ZINC001010255804 656102084 /nfs/dbraw/zinc/10/20/84/656102084.db2.gz OPHGMVYAEFZJOR-IUCAKERBSA-N 1 2 257.290 -1.922 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H]2COCCO2)C1 ZINC001010255804 656102086 /nfs/dbraw/zinc/10/20/86/656102086.db2.gz OPHGMVYAEFZJOR-IUCAKERBSA-N 1 2 257.290 -1.922 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CCCN(C(=O)CN2CCOCC2)CC1 ZINC000981001485 656102226 /nfs/dbraw/zinc/10/22/26/656102226.db2.gz LSTZTRFJUZHHMR-LBPRGKRZSA-N 1 2 298.387 -1.273 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CCCN(C(=O)CN2CCOCC2)CC1 ZINC000981001485 656102229 /nfs/dbraw/zinc/10/22/29/656102229.db2.gz LSTZTRFJUZHHMR-LBPRGKRZSA-N 1 2 298.387 -1.273 20 0 CAADLO Cc1nnc(CC(=O)N2CCC[N@H+](CC(N)=O)CC2)[nH]1 ZINC000981120086 656102525 /nfs/dbraw/zinc/10/25/25/656102525.db2.gz VMIQULDTKOBYOT-UHFFFAOYSA-N 1 2 280.332 -1.325 20 0 CAADLO Cc1nnc(CC(=O)N2CCC[N@@H+](CC(N)=O)CC2)[nH]1 ZINC000981120086 656102527 /nfs/dbraw/zinc/10/25/27/656102527.db2.gz VMIQULDTKOBYOT-UHFFFAOYSA-N 1 2 280.332 -1.325 20 0 CAADLO Cn1cc(C(=O)N2CCC[N@@H+]([C@@H]3CCNC3=O)CC2)nn1 ZINC000981101226 656102596 /nfs/dbraw/zinc/10/25/96/656102596.db2.gz XOVRWYYSFWAJPN-LLVKDONJSA-N 1 2 292.343 -1.149 20 0 CAADLO Cn1cc(C(=O)N2CCC[N@H+]([C@@H]3CCNC3=O)CC2)nn1 ZINC000981101226 656102598 /nfs/dbraw/zinc/10/25/98/656102598.db2.gz XOVRWYYSFWAJPN-LLVKDONJSA-N 1 2 292.343 -1.149 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CCCN(C(=O)c2cn(C)nn2)CC1 ZINC000981096942 656102606 /nfs/dbraw/zinc/10/26/06/656102606.db2.gz UNWNQQKGRHPYLS-VIFPVBQESA-N 1 2 280.332 -1.163 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CCCN(C(=O)c2cn(C)nn2)CC1 ZINC000981096942 656102609 /nfs/dbraw/zinc/10/26/09/656102609.db2.gz UNWNQQKGRHPYLS-VIFPVBQESA-N 1 2 280.332 -1.163 20 0 CAADLO C[C@@H](O)C[N@@H+]1CCCN(C(=O)C2CS(=O)(=O)C2)CC1 ZINC000981236061 656103354 /nfs/dbraw/zinc/10/33/54/656103354.db2.gz ZEHUCUPRDVBHHO-SNVBAGLBSA-N 1 2 290.385 -1.054 20 0 CAADLO C[C@@H](O)C[N@H+]1CCCN(C(=O)C2CS(=O)(=O)C2)CC1 ZINC000981236061 656103357 /nfs/dbraw/zinc/10/33/57/656103357.db2.gz ZEHUCUPRDVBHHO-SNVBAGLBSA-N 1 2 290.385 -1.054 20 0 CAADLO NC(=O)C[N@@H+]1CCCN(C(=O)Cn2nccn2)CC1 ZINC000981248741 656103565 /nfs/dbraw/zinc/10/35/65/656103565.db2.gz HAAXVXMFSRAFBB-UHFFFAOYSA-N 1 2 266.305 -1.702 20 0 CAADLO NC(=O)C[N@H+]1CCCN(C(=O)Cn2nccn2)CC1 ZINC000981248741 656103566 /nfs/dbraw/zinc/10/35/66/656103566.db2.gz HAAXVXMFSRAFBB-UHFFFAOYSA-N 1 2 266.305 -1.702 20 0 CAADLO C[C@H](O)C[N@@H+]1CCCN(C(=O)C2CS(=O)(=O)C2)CC1 ZINC000981236060 656103570 /nfs/dbraw/zinc/10/35/70/656103570.db2.gz ZEHUCUPRDVBHHO-JTQLQIEISA-N 1 2 290.385 -1.054 20 0 CAADLO C[C@H](O)C[N@H+]1CCCN(C(=O)C2CS(=O)(=O)C2)CC1 ZINC000981236060 656103571 /nfs/dbraw/zinc/10/35/71/656103571.db2.gz ZEHUCUPRDVBHHO-JTQLQIEISA-N 1 2 290.385 -1.054 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CCCN(C(=O)[C@@H]2CC(=O)N(C)C2)CC1 ZINC000981276498 656104065 /nfs/dbraw/zinc/10/40/65/656104065.db2.gz NPBTUCGPHULJAL-GHMZBOCLSA-N 1 2 296.371 -1.127 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CCCN(C(=O)[C@@H]2CC(=O)N(C)C2)CC1 ZINC000981276498 656104067 /nfs/dbraw/zinc/10/40/67/656104067.db2.gz NPBTUCGPHULJAL-GHMZBOCLSA-N 1 2 296.371 -1.127 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CCCN(C(=O)C(C)(C)C(N)=O)CC1 ZINC000981383545 656104693 /nfs/dbraw/zinc/10/46/93/656104693.db2.gz RDRAXVZPEXOHOQ-VIFPVBQESA-N 1 2 284.360 -1.094 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CCCN(C(=O)C(C)(C)C(N)=O)CC1 ZINC000981383545 656104695 /nfs/dbraw/zinc/10/46/95/656104695.db2.gz RDRAXVZPEXOHOQ-VIFPVBQESA-N 1 2 284.360 -1.094 20 0 CAADLO NC(=O)C[N@@H+]1CCCN(C(=O)C[C@@H]2CCC(=O)NC2)CC1 ZINC000981315048 656105249 /nfs/dbraw/zinc/10/52/49/656105249.db2.gz HVMMOQOBUGXXHU-NSHDSACASA-N 1 2 296.371 -1.078 20 0 CAADLO NC(=O)C[N@H+]1CCCN(C(=O)C[C@@H]2CCC(=O)NC2)CC1 ZINC000981315048 656105250 /nfs/dbraw/zinc/10/52/50/656105250.db2.gz HVMMOQOBUGXXHU-NSHDSACASA-N 1 2 296.371 -1.078 20 0 CAADLO NC(=O)C[N@@H+]1CCCN(C(=O)CN2CCCNC2=O)CC1 ZINC000981538767 656105459 /nfs/dbraw/zinc/10/54/59/656105459.db2.gz AJKKWDMWKKKAMM-UHFFFAOYSA-N 1 2 297.359 -1.579 20 0 CAADLO NC(=O)C[N@H+]1CCCN(C(=O)CN2CCCNC2=O)CC1 ZINC000981538767 656105462 /nfs/dbraw/zinc/10/54/62/656105462.db2.gz AJKKWDMWKKKAMM-UHFFFAOYSA-N 1 2 297.359 -1.579 20 0 CAADLO C[C@H]1C[C@H](C(=O)N2CCC[N@H+](CC(N)=O)CC2)CC(=O)N1 ZINC000981517246 656105920 /nfs/dbraw/zinc/10/59/20/656105920.db2.gz JEEZFMBEBISAFK-QWRGUYRKSA-N 1 2 296.371 -1.079 20 0 CAADLO C[C@H]1C[C@H](C(=O)N2CCC[N@@H+](CC(N)=O)CC2)CC(=O)N1 ZINC000981517246 656105923 /nfs/dbraw/zinc/10/59/23/656105923.db2.gz JEEZFMBEBISAFK-QWRGUYRKSA-N 1 2 296.371 -1.079 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CCCN(C(=O)[C@@H]2CN(C)C(=O)N2)CC1 ZINC000981750765 656106344 /nfs/dbraw/zinc/10/63/44/656106344.db2.gz JDKTTXQBOBZDNO-UWVGGRQHSA-N 1 2 297.359 -1.582 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CCCN(C(=O)[C@@H]2CN(C)C(=O)N2)CC1 ZINC000981750765 656106347 /nfs/dbraw/zinc/10/63/47/656106347.db2.gz JDKTTXQBOBZDNO-UWVGGRQHSA-N 1 2 297.359 -1.582 20 0 CAADLO Cn1cc(C(=O)N2CCC[N@H+](CC(N)=O)CC2)ncc1=O ZINC000981650754 656106569 /nfs/dbraw/zinc/10/65/69/656106569.db2.gz STMRKRKLEGVGHA-UHFFFAOYSA-N 1 2 293.327 -1.587 20 0 CAADLO Cn1cc(C(=O)N2CCC[N@@H+](CC(N)=O)CC2)ncc1=O ZINC000981650754 656106571 /nfs/dbraw/zinc/10/65/71/656106571.db2.gz STMRKRKLEGVGHA-UHFFFAOYSA-N 1 2 293.327 -1.587 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CCCN(C(=O)[C@]2(C)CNC(=O)C2)CC1 ZINC000981674214 656106859 /nfs/dbraw/zinc/10/68/59/656106859.db2.gz RNWXGJQZBGFOFN-YGRLFVJLSA-N 1 2 296.371 -1.079 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CCCN(C(=O)[C@]2(C)CNC(=O)C2)CC1 ZINC000981674214 656106865 /nfs/dbraw/zinc/10/68/65/656106865.db2.gz RNWXGJQZBGFOFN-YGRLFVJLSA-N 1 2 296.371 -1.079 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCOC2)C1 ZINC001010343324 656107086 /nfs/dbraw/zinc/10/70/86/656107086.db2.gz FCFNHJVYVIDPKU-UWVGGRQHSA-N 1 2 255.318 -1.041 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCOC2)C1 ZINC001010343324 656107088 /nfs/dbraw/zinc/10/70/88/656107088.db2.gz FCFNHJVYVIDPKU-UWVGGRQHSA-N 1 2 255.318 -1.041 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CCCN(C(=O)[C@H]2CN(C)C(=O)N2)CC1 ZINC000981750764 656107095 /nfs/dbraw/zinc/10/70/95/656107095.db2.gz JDKTTXQBOBZDNO-NXEZZACHSA-N 1 2 297.359 -1.582 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CCCN(C(=O)[C@H]2CN(C)C(=O)N2)CC1 ZINC000981750764 656107096 /nfs/dbraw/zinc/10/70/96/656107096.db2.gz JDKTTXQBOBZDNO-NXEZZACHSA-N 1 2 297.359 -1.582 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CCCN(C(=O)[C@@H]2CNC(=O)N2)CC1 ZINC000981850403 656107352 /nfs/dbraw/zinc/10/73/52/656107352.db2.gz GUABDUHPMARASB-BDAKNGLRSA-N 1 2 283.332 -1.924 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CCCN(C(=O)[C@@H]2CNC(=O)N2)CC1 ZINC000981850403 656107354 /nfs/dbraw/zinc/10/73/54/656107354.db2.gz GUABDUHPMARASB-BDAKNGLRSA-N 1 2 283.332 -1.924 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CCCN(C(=O)[C@H]2CNC(=O)N2)CC1 ZINC000981850404 656107420 /nfs/dbraw/zinc/10/74/20/656107420.db2.gz GUABDUHPMARASB-DTWKUNHWSA-N 1 2 283.332 -1.924 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CCCN(C(=O)[C@H]2CNC(=O)N2)CC1 ZINC000981850404 656107422 /nfs/dbraw/zinc/10/74/22/656107422.db2.gz GUABDUHPMARASB-DTWKUNHWSA-N 1 2 283.332 -1.924 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CCCN(C(=O)c2c[nH]c(=O)cn2)CC1 ZINC000981837587 656107502 /nfs/dbraw/zinc/10/75/02/656107502.db2.gz FOXHCDFVYDGEEE-VIFPVBQESA-N 1 2 293.327 -1.208 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CCCN(C(=O)c2c[nH]c(=O)cn2)CC1 ZINC000981837587 656107504 /nfs/dbraw/zinc/10/75/04/656107504.db2.gz FOXHCDFVYDGEEE-VIFPVBQESA-N 1 2 293.327 -1.208 20 0 CAADLO NC(=O)C[N@@H+]1CCCN(C(=O)[C@H]2CNC(=O)N2)CC1 ZINC000981850625 656107517 /nfs/dbraw/zinc/10/75/17/656107517.db2.gz ODGBXXMNKQIEDZ-MRVPVSSYSA-N 1 2 269.305 -2.313 20 0 CAADLO NC(=O)C[N@H+]1CCCN(C(=O)[C@H]2CNC(=O)N2)CC1 ZINC000981850625 656107520 /nfs/dbraw/zinc/10/75/20/656107520.db2.gz ODGBXXMNKQIEDZ-MRVPVSSYSA-N 1 2 269.305 -2.313 20 0 CAADLO NC(=O)C[N@@H+]1CCCN(C(=O)[C@H]2CC[C@H]2C(N)=O)CC1 ZINC000981756836 656107597 /nfs/dbraw/zinc/10/75/97/656107597.db2.gz DQXHIOZJWZJIIX-ZJUUUORDSA-N 1 2 282.344 -1.483 20 0 CAADLO NC(=O)C[N@H+]1CCCN(C(=O)[C@H]2CC[C@H]2C(N)=O)CC1 ZINC000981756836 656107601 /nfs/dbraw/zinc/10/76/01/656107601.db2.gz DQXHIOZJWZJIIX-ZJUUUORDSA-N 1 2 282.344 -1.483 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(C(N)=O)[nH]1 ZINC001028137300 656107709 /nfs/dbraw/zinc/10/77/09/656107709.db2.gz IOFPZJFCOGWRFZ-QMMMGPOBSA-N 1 2 293.327 -1.207 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@H]1CNC(=O)c1ccc(C(N)=O)[nH]1 ZINC001028137300 656107711 /nfs/dbraw/zinc/10/77/11/656107711.db2.gz IOFPZJFCOGWRFZ-QMMMGPOBSA-N 1 2 293.327 -1.207 20 0 CAADLO NC(=O)C[N@@H+]1CCCN(C(=O)[C@H]2CC[C@@H]2C(N)=O)CC1 ZINC000981756834 656107742 /nfs/dbraw/zinc/10/77/42/656107742.db2.gz DQXHIOZJWZJIIX-UWVGGRQHSA-N 1 2 282.344 -1.483 20 0 CAADLO NC(=O)C[N@H+]1CCCN(C(=O)[C@H]2CC[C@@H]2C(N)=O)CC1 ZINC000981756834 656107743 /nfs/dbraw/zinc/10/77/43/656107743.db2.gz DQXHIOZJWZJIIX-UWVGGRQHSA-N 1 2 282.344 -1.483 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CCCN(C(=O)[C@H]2CCNC2=O)CC1 ZINC000981749447 656107790 /nfs/dbraw/zinc/10/77/90/656107790.db2.gz AZAOOHAEHSXVQL-ZJUUUORDSA-N 1 2 282.344 -1.469 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CCCN(C(=O)[C@H]2CCNC2=O)CC1 ZINC000981749447 656107794 /nfs/dbraw/zinc/10/77/94/656107794.db2.gz AZAOOHAEHSXVQL-ZJUUUORDSA-N 1 2 282.344 -1.469 20 0 CAADLO NC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2CC[C@H]2C(N)=O)CC1 ZINC000981756833 656107860 /nfs/dbraw/zinc/10/78/60/656107860.db2.gz DQXHIOZJWZJIIX-NXEZZACHSA-N 1 2 282.344 -1.483 20 0 CAADLO NC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2CC[C@H]2C(N)=O)CC1 ZINC000981756833 656107863 /nfs/dbraw/zinc/10/78/63/656107863.db2.gz DQXHIOZJWZJIIX-NXEZZACHSA-N 1 2 282.344 -1.483 20 0 CAADLO O=C([C@H]1CNC(=O)N1)N1CCC[N@@H+]([C@@H]2CCNC2=O)CC1 ZINC000981850729 656108220 /nfs/dbraw/zinc/10/82/20/656108220.db2.gz RJQQEVWSFAFTCI-NXEZZACHSA-N 1 2 295.343 -1.909 20 0 CAADLO O=C([C@H]1CNC(=O)N1)N1CCC[N@H+]([C@@H]2CCNC2=O)CC1 ZINC000981850729 656108223 /nfs/dbraw/zinc/10/82/23/656108223.db2.gz RJQQEVWSFAFTCI-NXEZZACHSA-N 1 2 295.343 -1.909 20 0 CAADLO Cn1cc(C[N@@H+]2CCCN(C(=O)C(N)=O)CC2)cn1 ZINC000981854132 656108267 /nfs/dbraw/zinc/10/82/67/656108267.db2.gz CUJFNVMYCCPKFG-UHFFFAOYSA-N 1 2 265.317 -1.060 20 0 CAADLO Cn1cc(C[N@H+]2CCCN(C(=O)C(N)=O)CC2)cn1 ZINC000981854132 656108269 /nfs/dbraw/zinc/10/82/69/656108269.db2.gz CUJFNVMYCCPKFG-UHFFFAOYSA-N 1 2 265.317 -1.060 20 0 CAADLO NC(=O)C(=O)N1CCC[N@@H+]([C@H]2CCCNC2=O)CC1 ZINC000981858968 656108423 /nfs/dbraw/zinc/10/84/23/656108423.db2.gz WXTLIQYCWPBCIT-VIFPVBQESA-N 1 2 268.317 -1.715 20 0 CAADLO NC(=O)C(=O)N1CCC[N@H+]([C@H]2CCCNC2=O)CC1 ZINC000981858968 656108425 /nfs/dbraw/zinc/10/84/25/656108425.db2.gz WXTLIQYCWPBCIT-VIFPVBQESA-N 1 2 268.317 -1.715 20 0 CAADLO NC(=O)C(=O)N1CCC[N@@H+]([C@H]2CCNC2=O)CC1 ZINC000981856680 656108472 /nfs/dbraw/zinc/10/84/72/656108472.db2.gz FIWCXAMAAYALBH-QMMMGPOBSA-N 1 2 254.290 -2.106 20 0 CAADLO NC(=O)C(=O)N1CCC[N@H+]([C@H]2CCNC2=O)CC1 ZINC000981856680 656108474 /nfs/dbraw/zinc/10/84/74/656108474.db2.gz FIWCXAMAAYALBH-QMMMGPOBSA-N 1 2 254.290 -2.106 20 0 CAADLO NC(=O)C(=O)N1CCC[N@@H+]([C@@H]2CCC(=O)NC2=O)CC1 ZINC000981861993 656108754 /nfs/dbraw/zinc/10/87/54/656108754.db2.gz PQSUNVUORARZKA-MRVPVSSYSA-N 1 2 282.300 -2.189 20 0 CAADLO NC(=O)C(=O)N1CCC[N@H+]([C@@H]2CCC(=O)NC2=O)CC1 ZINC000981861993 656108756 /nfs/dbraw/zinc/10/87/56/656108756.db2.gz PQSUNVUORARZKA-MRVPVSSYSA-N 1 2 282.300 -2.189 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CCCN(C(=O)[C@@]2(C)CCNC2=O)CC1 ZINC000981945818 656109252 /nfs/dbraw/zinc/10/92/52/656109252.db2.gz SIBHFJRXDQUWBM-HZMBPMFUSA-N 1 2 296.371 -1.079 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CCCN(C(=O)[C@@]2(C)CCNC2=O)CC1 ZINC000981945818 656109256 /nfs/dbraw/zinc/10/92/56/656109256.db2.gz SIBHFJRXDQUWBM-HZMBPMFUSA-N 1 2 296.371 -1.079 20 0 CAADLO Cn1ncc(C[N@@H+]2CCCC3(CN(C(=O)C(N)=O)C3)C2)n1 ZINC000981972536 656109398 /nfs/dbraw/zinc/10/93/98/656109398.db2.gz WOAAPSGYBWUIHG-UHFFFAOYSA-N 1 2 292.343 -1.275 20 0 CAADLO Cn1ncc(C[N@H+]2CCCC3(CN(C(=O)C(N)=O)C3)C2)n1 ZINC000981972536 656109399 /nfs/dbraw/zinc/10/93/99/656109399.db2.gz WOAAPSGYBWUIHG-UHFFFAOYSA-N 1 2 292.343 -1.275 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CCCN(C(=O)[C@H]2C[C@H]2C(N)=O)CC1 ZINC000981967519 656109598 /nfs/dbraw/zinc/10/95/98/656109598.db2.gz DXTOUPUDAYYZFW-AEJSXWLSSA-N 1 2 282.344 -1.484 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CCCN(C(=O)[C@H]2C[C@H]2C(N)=O)CC1 ZINC000981967519 656109600 /nfs/dbraw/zinc/10/96/00/656109600.db2.gz DXTOUPUDAYYZFW-AEJSXWLSSA-N 1 2 282.344 -1.484 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC(=O)N2)C1 ZINC001010378681 656109985 /nfs/dbraw/zinc/10/99/85/656109985.db2.gz RDDHNMOGYOOWCB-DTWKUNHWSA-N 1 2 268.317 -1.799 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCC(=O)N2)C1 ZINC001010378681 656109986 /nfs/dbraw/zinc/10/99/86/656109986.db2.gz RDDHNMOGYOOWCB-DTWKUNHWSA-N 1 2 268.317 -1.799 20 0 CAADLO C[C@@H](C(=O)N1CCC[N@H+](CC(N)=O)CC1)[C@H]1CCC(=O)N1 ZINC000982006207 656110018 /nfs/dbraw/zinc/11/00/18/656110018.db2.gz BXPROAPSDQOTHU-GHMZBOCLSA-N 1 2 296.371 -1.079 20 0 CAADLO C[C@@H](C(=O)N1CCC[N@@H+](CC(N)=O)CC1)[C@H]1CCC(=O)N1 ZINC000982006207 656110019 /nfs/dbraw/zinc/11/00/19/656110019.db2.gz BXPROAPSDQOTHU-GHMZBOCLSA-N 1 2 296.371 -1.079 20 0 CAADLO C[C@@H](C(=O)N1CCC[N@H+](CC(N)=O)CC1)[C@@H]1CCC(=O)N1 ZINC000982006208 656110156 /nfs/dbraw/zinc/11/01/56/656110156.db2.gz BXPROAPSDQOTHU-MNOVXSKESA-N 1 2 296.371 -1.079 20 0 CAADLO C[C@@H](C(=O)N1CCC[N@@H+](CC(N)=O)CC1)[C@@H]1CCC(=O)N1 ZINC000982006208 656110158 /nfs/dbraw/zinc/11/01/58/656110158.db2.gz BXPROAPSDQOTHU-MNOVXSKESA-N 1 2 296.371 -1.079 20 0 CAADLO Cn1ncc(C(=O)NC[C@@H]2CCC[N@@H+]2CC(N)=O)n1 ZINC001028198668 656110197 /nfs/dbraw/zinc/11/01/97/656110197.db2.gz NKDXDMHOYWQGTI-QMMMGPOBSA-N 1 2 266.305 -1.505 20 0 CAADLO Cn1ncc(C(=O)NC[C@@H]2CCC[N@H+]2CC(N)=O)n1 ZINC001028198668 656110199 /nfs/dbraw/zinc/11/01/99/656110199.db2.gz NKDXDMHOYWQGTI-QMMMGPOBSA-N 1 2 266.305 -1.505 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CCC[C@@H]1CNC(=O)c1cnn(C)n1 ZINC001028198630 656110246 /nfs/dbraw/zinc/11/02/46/656110246.db2.gz MKXZRGWKCDPSFE-DTWKUNHWSA-N 1 2 280.332 -1.117 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CCC[C@@H]1CNC(=O)c1cnn(C)n1 ZINC001028198630 656110249 /nfs/dbraw/zinc/11/02/49/656110249.db2.gz MKXZRGWKCDPSFE-DTWKUNHWSA-N 1 2 280.332 -1.117 20 0 CAADLO Cn1nncc1C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCC(=O)N2)C1 ZINC001010380730 656110274 /nfs/dbraw/zinc/11/02/74/656110274.db2.gz DSDFMOJJVPXWJQ-MWLCHTKSSA-N 1 2 292.343 -1.216 20 0 CAADLO Cn1nncc1C[N@H+]1CC[C@@H](NC(=O)[C@H]2CCC(=O)N2)C1 ZINC001010380730 656110277 /nfs/dbraw/zinc/11/02/77/656110277.db2.gz DSDFMOJJVPXWJQ-MWLCHTKSSA-N 1 2 292.343 -1.216 20 0 CAADLO CNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cnn(C)n1 ZINC001028198401 656110293 /nfs/dbraw/zinc/11/02/93/656110293.db2.gz GWMKKWGEEDJSHB-SECBINFHSA-N 1 2 280.332 -1.245 20 0 CAADLO CNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)c1cnn(C)n1 ZINC001028198401 656110297 /nfs/dbraw/zinc/11/02/97/656110297.db2.gz GWMKKWGEEDJSHB-SECBINFHSA-N 1 2 280.332 -1.245 20 0 CAADLO NC(=O)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2cnco2)C1 ZINC000958290919 656110771 /nfs/dbraw/zinc/11/07/71/656110771.db2.gz IPDOILFEOCFJJO-YUMQZZPRSA-N 1 2 268.273 -1.818 20 0 CAADLO NC(=O)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2cnco2)C1 ZINC000958290919 656110775 /nfs/dbraw/zinc/11/07/75/656110775.db2.gz IPDOILFEOCFJJO-YUMQZZPRSA-N 1 2 268.273 -1.818 20 0 CAADLO Cn1ncc(C(=O)N2CCC[N@@H+]([C@H]3CCNC3=O)CC2)n1 ZINC000982205246 656110867 /nfs/dbraw/zinc/11/08/67/656110867.db2.gz JJVVCZFYSHQDCY-NSHDSACASA-N 1 2 292.343 -1.149 20 0 CAADLO Cn1ncc(C(=O)N2CCC[N@H+]([C@H]3CCNC3=O)CC2)n1 ZINC000982205246 656110871 /nfs/dbraw/zinc/11/08/71/656110871.db2.gz JJVVCZFYSHQDCY-NSHDSACASA-N 1 2 292.343 -1.149 20 0 CAADLO NC(=O)C[N@@H+]1CCCN(C(=O)C2CC(=O)NC(=O)C2)CC1 ZINC000982201568 656110937 /nfs/dbraw/zinc/11/09/37/656110937.db2.gz USVWZSYJMVIZCF-UHFFFAOYSA-N 1 2 296.327 -1.941 20 0 CAADLO NC(=O)C[N@H+]1CCCN(C(=O)C2CC(=O)NC(=O)C2)CC1 ZINC000982201568 656110945 /nfs/dbraw/zinc/11/09/45/656110945.db2.gz USVWZSYJMVIZCF-UHFFFAOYSA-N 1 2 296.327 -1.941 20 0 CAADLO CCn1cc(C(=O)NC[C@H]2CCC[N@@H+]2CC(N)=O)nn1 ZINC001028229077 656111092 /nfs/dbraw/zinc/11/10/92/656111092.db2.gz CLYPJRDVIICZCY-SECBINFHSA-N 1 2 280.332 -1.023 20 0 CAADLO CCn1cc(C(=O)NC[C@H]2CCC[N@H+]2CC(N)=O)nn1 ZINC001028229077 656111094 /nfs/dbraw/zinc/11/10/94/656111094.db2.gz CLYPJRDVIICZCY-SECBINFHSA-N 1 2 280.332 -1.023 20 0 CAADLO CNC(=O)CN1CC[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001010428849 656111805 /nfs/dbraw/zinc/11/18/05/656111805.db2.gz RDODYZGQSZFAOQ-GHMZBOCLSA-N 1 2 284.360 -1.747 20 0 CAADLO CNC(=O)CN1CC[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001010428849 656111808 /nfs/dbraw/zinc/11/18/08/656111808.db2.gz RDODYZGQSZFAOQ-GHMZBOCLSA-N 1 2 284.360 -1.747 20 0 CAADLO Cc1c(C(=O)N[C@@H]2CC[N@@H+]([C@@H](C)C(N)=O)C2)nnn1C ZINC001010424810 656111905 /nfs/dbraw/zinc/11/19/05/656111905.db2.gz QOUIHODJLNAZDY-DTWKUNHWSA-N 1 2 280.332 -1.199 20 0 CAADLO Cc1c(C(=O)N[C@@H]2CC[N@H+]([C@@H](C)C(N)=O)C2)nnn1C ZINC001010424810 656111908 /nfs/dbraw/zinc/11/19/08/656111908.db2.gz QOUIHODJLNAZDY-DTWKUNHWSA-N 1 2 280.332 -1.199 20 0 CAADLO Cc1c(C(=O)N[C@H]2CC[N@@H+]([C@H]3CCNC3=O)C2)nnn1C ZINC001010416602 656112174 /nfs/dbraw/zinc/11/21/74/656112174.db2.gz VHWFYEUACHEODT-UWVGGRQHSA-N 1 2 292.343 -1.184 20 0 CAADLO Cc1c(C(=O)N[C@H]2CC[N@H+]([C@H]3CCNC3=O)C2)nnn1C ZINC001010416602 656112178 /nfs/dbraw/zinc/11/21/78/656112178.db2.gz VHWFYEUACHEODT-UWVGGRQHSA-N 1 2 292.343 -1.184 20 0 CAADLO Cn1c[nH+]cc1CCC(=O)N1CCN(C(=O)C(N)=O)CC1 ZINC001011999944 656115294 /nfs/dbraw/zinc/11/52/94/656115294.db2.gz ADDMKPPAIFMSOJ-UHFFFAOYSA-N 1 2 293.327 -1.491 20 0 CAADLO C[C@H]1[C@@H](NC(=O)Cc2[nH]cc[nH+]2)CCN1C(=O)C(N)=O ZINC001012019973 656116338 /nfs/dbraw/zinc/11/63/38/656116338.db2.gz ZYEWTISASJETSO-YUMQZZPRSA-N 1 2 279.300 -1.457 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CCCN(C(=O)CCn2cnnn2)CC1 ZINC000982660173 656117143 /nfs/dbraw/zinc/11/71/43/656117143.db2.gz PNMVAJGUPCUZEN-SNVBAGLBSA-N 1 2 295.347 -1.529 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CCCN(C(=O)CCn2cnnn2)CC1 ZINC000982660173 656117145 /nfs/dbraw/zinc/11/71/45/656117145.db2.gz PNMVAJGUPCUZEN-SNVBAGLBSA-N 1 2 295.347 -1.529 20 0 CAADLO Cn1nnc(C(=O)NC[C@@H]2CC[N@H+](Cc3cnon3)C2)n1 ZINC001028749553 656121235 /nfs/dbraw/zinc/12/12/35/656121235.db2.gz UIAUYWVPDYCRFS-QMMMGPOBSA-N 1 2 292.303 -1.155 20 0 CAADLO Cn1nnc(C(=O)NC[C@@H]2CC[N@@H+](Cc3cnon3)C2)n1 ZINC001028749553 656121237 /nfs/dbraw/zinc/12/12/37/656121237.db2.gz UIAUYWVPDYCRFS-QMMMGPOBSA-N 1 2 292.303 -1.155 20 0 CAADLO CN1CC(C(=O)NC[C@@H]2CC[N@H+](CC(N)=O)C2)=NC1=O ZINC001028783126 656121553 /nfs/dbraw/zinc/12/15/53/656121553.db2.gz IVFDLVICTGHOFX-QMMMGPOBSA-N 1 2 281.316 -1.337 20 0 CAADLO CN1CC(C(=O)NC[C@@H]2CC[N@@H+](CC(N)=O)C2)=NC1=O ZINC001028783126 656121557 /nfs/dbraw/zinc/12/15/57/656121557.db2.gz IVFDLVICTGHOFX-QMMMGPOBSA-N 1 2 281.316 -1.337 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)C2=NC(=O)N(C)C2)C1 ZINC001028776883 656121655 /nfs/dbraw/zinc/12/16/55/656121655.db2.gz VWWYQHHLVUMKAS-VIFPVBQESA-N 1 2 295.343 -1.077 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](CNC(=O)C2=NC(=O)N(C)C2)C1 ZINC001028776883 656121658 /nfs/dbraw/zinc/12/16/58/656121658.db2.gz VWWYQHHLVUMKAS-VIFPVBQESA-N 1 2 295.343 -1.077 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](CNC(=O)C2=NC(=O)N(C)C2)C1 ZINC001028776882 656121778 /nfs/dbraw/zinc/12/17/78/656121778.db2.gz VWWYQHHLVUMKAS-SECBINFHSA-N 1 2 295.343 -1.077 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](CNC(=O)C2=NC(=O)N(C)C2)C1 ZINC001028776882 656121779 /nfs/dbraw/zinc/12/17/79/656121779.db2.gz VWWYQHHLVUMKAS-SECBINFHSA-N 1 2 295.343 -1.077 20 0 CAADLO O=C(NC[C@H]1CC[N@H+](Cc2cnon2)C1)[C@H]1CNC(=O)N1 ZINC001028774385 656121800 /nfs/dbraw/zinc/12/18/00/656121800.db2.gz WHWOQMTWANRGOM-PSASIEDQSA-N 1 2 294.315 -1.311 20 0 CAADLO O=C(NC[C@H]1CC[N@@H+](Cc2cnon2)C1)[C@H]1CNC(=O)N1 ZINC001028774385 656121802 /nfs/dbraw/zinc/12/18/02/656121802.db2.gz WHWOQMTWANRGOM-PSASIEDQSA-N 1 2 294.315 -1.311 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+]1CC[C@@H](CNC(=O)c2nc[nH]n2)C1 ZINC001028878038 656122932 /nfs/dbraw/zinc/12/29/32/656122932.db2.gz HEJPLKWERWYOPA-IUCAKERBSA-N 1 2 280.332 -1.009 20 0 CAADLO CNC(=O)[C@H](C)[N@H+]1CC[C@@H](CNC(=O)c2nc[nH]n2)C1 ZINC001028878038 656122935 /nfs/dbraw/zinc/12/29/35/656122935.db2.gz HEJPLKWERWYOPA-IUCAKERBSA-N 1 2 280.332 -1.009 20 0 CAADLO CN(C)C(=O)C[N@@H+]1CC[C@H](CNC(=O)c2nc[nH]n2)C1 ZINC001028876817 656123291 /nfs/dbraw/zinc/12/32/91/656123291.db2.gz JICXSEMYTGMYFO-SECBINFHSA-N 1 2 280.332 -1.055 20 0 CAADLO CN(C)C(=O)C[N@H+]1CC[C@H](CNC(=O)c2nc[nH]n2)C1 ZINC001028876817 656123292 /nfs/dbraw/zinc/12/32/92/656123292.db2.gz JICXSEMYTGMYFO-SECBINFHSA-N 1 2 280.332 -1.055 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+]1CC[C@H](CNC(=O)c2nc[nH]n2)C1 ZINC001028878039 656123347 /nfs/dbraw/zinc/12/33/47/656123347.db2.gz HEJPLKWERWYOPA-RKDXNWHRSA-N 1 2 280.332 -1.009 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+]1CC[C@H](CNC(=O)c2nc[nH]n2)C1 ZINC001028878039 656123348 /nfs/dbraw/zinc/12/33/48/656123348.db2.gz HEJPLKWERWYOPA-RKDXNWHRSA-N 1 2 280.332 -1.009 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CC[C@@H](CNC(=O)c2nc[nH]n2)C1 ZINC001028877035 656123388 /nfs/dbraw/zinc/12/33/88/656123388.db2.gz NAYZCTRQBXDDEV-SFYZADRCSA-N 1 2 266.305 -1.270 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CC[C@@H](CNC(=O)c2nc[nH]n2)C1 ZINC001028877035 656123390 /nfs/dbraw/zinc/12/33/90/656123390.db2.gz NAYZCTRQBXDDEV-SFYZADRCSA-N 1 2 266.305 -1.270 20 0 CAADLO COC(=O)[C@H]1CC[N@H+](CN2C(=O)C(=O)N(C)C2=O)C1 ZINC000048621844 656123569 /nfs/dbraw/zinc/12/35/69/656123569.db2.gz RRAIPLSSLRSFDV-ZETCQYMHSA-N 1 2 269.257 -1.141 20 0 CAADLO COC(=O)[C@H]1CC[N@@H+](CN2C(=O)C(=O)N(C)C2=O)C1 ZINC000048621844 656123573 /nfs/dbraw/zinc/12/35/73/656123573.db2.gz RRAIPLSSLRSFDV-ZETCQYMHSA-N 1 2 269.257 -1.141 20 0 CAADLO NC(=O)C(=O)N[C@@H]1CCC[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000983700125 656124672 /nfs/dbraw/zinc/12/46/72/656124672.db2.gz WCBBIBBVCWVGNV-DTWKUNHWSA-N 1 2 293.327 -1.019 20 0 CAADLO NC(=O)C(=O)N[C@H]1CCC[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000983700126 656124782 /nfs/dbraw/zinc/12/47/82/656124782.db2.gz WCBBIBBVCWVGNV-IUCAKERBSA-N 1 2 293.327 -1.019 20 0 CAADLO NC(=O)C(=O)N[C@H]1CCC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC000983702728 656124948 /nfs/dbraw/zinc/12/49/48/656124948.db2.gz AQFFDXPYDJMOSW-BDAKNGLRSA-N 1 2 293.327 -1.019 20 0 CAADLO NC(=O)C(=O)N[C@H]1CCC[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC000983702735 656125010 /nfs/dbraw/zinc/12/50/10/656125010.db2.gz AQFFDXPYDJMOSW-IUCAKERBSA-N 1 2 293.327 -1.019 20 0 CAADLO NC(=O)C(=O)N[C@@H]1CCC[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC000983702732 656125056 /nfs/dbraw/zinc/12/50/56/656125056.db2.gz AQFFDXPYDJMOSW-DTWKUNHWSA-N 1 2 293.327 -1.019 20 0 CAADLO NC(=O)C(=O)N[C@@H]1CCC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC000983702738 656125080 /nfs/dbraw/zinc/12/50/80/656125080.db2.gz AQFFDXPYDJMOSW-RKDXNWHRSA-N 1 2 293.327 -1.019 20 0 CAADLO NC(=O)C(=O)N1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001012317637 656127388 /nfs/dbraw/zinc/12/73/88/656127388.db2.gz OUDHIMWDNGLBMY-UHFFFAOYSA-N 1 2 265.273 -1.892 20 0 CAADLO CN(C(=O)C(N)=O)[C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000984710316 656129352 /nfs/dbraw/zinc/12/93/52/656129352.db2.gz QRUYMHPCOOZVHD-JTQLQIEISA-N 1 2 293.327 -1.113 20 0 CAADLO C[C@H]1C[C@H](NC(=O)Cn2cc[nH+]c2)CN1C(=O)CC(N)=O ZINC001012412379 656129552 /nfs/dbraw/zinc/12/95/52/656129552.db2.gz NDWGDUDHOBYCOS-UWVGGRQHSA-N 1 2 293.327 -1.136 20 0 CAADLO C[C@@H]1C[C@H](NC(=O)Cn2cc[nH+]c2)CN1C(=O)CC(N)=O ZINC001012412381 656129920 /nfs/dbraw/zinc/12/99/20/656129920.db2.gz NDWGDUDHOBYCOS-ZJUUUORDSA-N 1 2 293.327 -1.136 20 0 CAADLO NC(=O)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)Cc1c[nH+]c[nH]1 ZINC000937566769 656130446 /nfs/dbraw/zinc/13/04/46/656130446.db2.gz CJPCCDMKJREOBZ-IUCAKERBSA-N 1 2 277.284 -1.751 20 0 CAADLO CC[C@@H]1[C@@H](NC(=O)Cn2cc[nH+]c2)CCN1C(=O)C(N)=O ZINC000985068035 656130643 /nfs/dbraw/zinc/13/06/43/656130643.db2.gz RAHVJXNLUOQOMR-VHSXEESVSA-N 1 2 293.327 -1.136 20 0 CAADLO CC[C@@H]1[C@@H](NC(=O)Cc2[nH]cc[nH+]2)CCN1C(=O)C(N)=O ZINC000985344014 656130868 /nfs/dbraw/zinc/13/08/68/656130868.db2.gz BYOAXOAFIDEDRK-DTWKUNHWSA-N 1 2 293.327 -1.067 20 0 CAADLO Cn1nnnc1C[N@H+](C)C1CCN(C(=O)CC(N)=O)CC1 ZINC000985343055 656130984 /nfs/dbraw/zinc/13/09/84/656130984.db2.gz YOHOKHRQKBYAQU-UHFFFAOYSA-N 1 2 295.347 -1.492 20 0 CAADLO Cn1nnnc1C[N@@H+](C)C1CCN(C(=O)CC(N)=O)CC1 ZINC000985343055 656130990 /nfs/dbraw/zinc/13/09/90/656130990.db2.gz YOHOKHRQKBYAQU-UHFFFAOYSA-N 1 2 295.347 -1.492 20 0 CAADLO COC(=O)[C@@](C)(CO)NC(=O)/C=C/C[NH+]1CCOCC1 ZINC000909589492 656131896 /nfs/dbraw/zinc/13/18/96/656131896.db2.gz IBCMPJJBNYKRQR-ITDFMYJTSA-N 1 2 286.328 -1.085 20 0 CAADLO Cn1ncnc1C[N@H+](C)C[C@H]1CCN(C(=O)CC(N)=O)C1 ZINC001029681449 656132634 /nfs/dbraw/zinc/13/26/34/656132634.db2.gz KBQDVSVRHRLGLZ-SNVBAGLBSA-N 1 2 294.359 -1.029 20 0 CAADLO Cn1ncnc1C[N@@H+](C)C[C@H]1CCN(C(=O)CC(N)=O)C1 ZINC001029681449 656132636 /nfs/dbraw/zinc/13/26/36/656132636.db2.gz KBQDVSVRHRLGLZ-SNVBAGLBSA-N 1 2 294.359 -1.029 20 0 CAADLO CC[C@@H]1[C@@H](NC(=O)Cc2c[nH]c[nH+]2)CCN1C(=O)C(N)=O ZINC000985579891 656133817 /nfs/dbraw/zinc/13/38/17/656133817.db2.gz QDSFBTYDWAHAOM-VHSXEESVSA-N 1 2 293.327 -1.067 20 0 CAADLO Cn1ncnc1C[N@H+](C)C1CCN(C(=O)C(N)=O)CC1 ZINC000985612118 656133946 /nfs/dbraw/zinc/13/39/46/656133946.db2.gz DNXZPSCAICUWQT-UHFFFAOYSA-N 1 2 280.332 -1.277 20 0 CAADLO Cn1ncnc1C[N@@H+](C)C1CCN(C(=O)C(N)=O)CC1 ZINC000985612118 656133947 /nfs/dbraw/zinc/13/39/47/656133947.db2.gz DNXZPSCAICUWQT-UHFFFAOYSA-N 1 2 280.332 -1.277 20 0 CAADLO Cn1cnnc1C[N@H+](C)C[C@@H]1CCN(C(=O)C(N)=O)C1 ZINC001029822194 656133950 /nfs/dbraw/zinc/13/39/50/656133950.db2.gz ZLDMYCBJENJUAI-VIFPVBQESA-N 1 2 280.332 -1.419 20 0 CAADLO Cn1cnnc1C[N@@H+](C)C[C@@H]1CCN(C(=O)C(N)=O)C1 ZINC001029822194 656133951 /nfs/dbraw/zinc/13/39/51/656133951.db2.gz ZLDMYCBJENJUAI-VIFPVBQESA-N 1 2 280.332 -1.419 20 0 CAADLO C[N@@H+]1CCO[C@@H](C(=O)NC(C)(C)CNS(C)(=O)=O)C1 ZINC000928859167 656134402 /nfs/dbraw/zinc/13/44/02/656134402.db2.gz ALEBSFIGXSWFIH-SECBINFHSA-N 1 2 293.389 -1.239 20 0 CAADLO C[N@H+]1CCO[C@@H](C(=O)NC(C)(C)CNS(C)(=O)=O)C1 ZINC000928859167 656134404 /nfs/dbraw/zinc/13/44/04/656134404.db2.gz ALEBSFIGXSWFIH-SECBINFHSA-N 1 2 293.389 -1.239 20 0 CAADLO COCC(=O)N1CC[C@@H]([NH2+]Cc2nnn(C)n2)[C@@H]1C ZINC000985834351 656134557 /nfs/dbraw/zinc/13/45/57/656134557.db2.gz UYPSHHPGUDEOJD-DTWKUNHWSA-N 1 2 268.321 -1.065 20 0 CAADLO COCC(=O)N1CC[C@@H]([NH2+]Cc2nnn(C)n2)[C@H]1C ZINC000985834353 656134590 /nfs/dbraw/zinc/13/45/90/656134590.db2.gz UYPSHHPGUDEOJD-RKDXNWHRSA-N 1 2 268.321 -1.065 20 0 CAADLO C[C@@H]1[C@@H]([NH2+]Cc2nnn(C)n2)CCN1C(=O)CC(N)=O ZINC000986114906 656135903 /nfs/dbraw/zinc/13/59/03/656135903.db2.gz RTTLTNNGAKQUPA-SFYZADRCSA-N 1 2 281.320 -1.836 20 0 CAADLO C[C@H]1[C@H]([NH2+]Cc2nnn(C)n2)CCN1C(=O)CC(N)=O ZINC000986114898 656135924 /nfs/dbraw/zinc/13/59/24/656135924.db2.gz RTTLTNNGAKQUPA-JGVFFNPUSA-N 1 2 281.320 -1.836 20 0 CAADLO C[C@@H]1C[C@@H](NC(=O)C(N)=O)CN1C(=O)Cn1cc[nH+]c1 ZINC001013050662 656136559 /nfs/dbraw/zinc/13/65/59/656136559.db2.gz SONROBSUWCRYRI-RKDXNWHRSA-N 1 2 279.300 -1.526 20 0 CAADLO C[C@@H]1[C@H]([NH2+]Cc2nnn(C)n2)CCN1C(=O)c1cn[nH]n1 ZINC000986458596 656137255 /nfs/dbraw/zinc/13/72/55/656137255.db2.gz YEVAHURNFALACN-HTQZYQBOSA-N 1 2 291.319 -1.279 20 0 CAADLO C[C@@H]1[C@@H]([NH2+]Cc2cnon2)CCN1C(=O)C(N)=O ZINC000986791458 656137947 /nfs/dbraw/zinc/13/79/47/656137947.db2.gz DYDLDGMBXIVYLV-SVRRBLITSA-N 1 2 253.262 -1.366 20 0 CAADLO C[C@H]1[C@@H]([NH2+]Cc2nc(=O)n(C)[nH]2)CCN1C(=O)C(N)=O ZINC000986779409 656138072 /nfs/dbraw/zinc/13/80/72/656138072.db2.gz MXALMYADWZWVNR-BQBZGAKWSA-N 1 2 282.304 -2.327 20 0 CAADLO Cc1noc(C[NH2+][C@H]2CCN(C(=O)C(N)=O)[C@H]2C)n1 ZINC000986777478 656138089 /nfs/dbraw/zinc/13/80/89/656138089.db2.gz HXTIVWCKSBRUBJ-XPUUQOCRSA-N 1 2 267.289 -1.058 20 0 CAADLO Cc1nnc(C[NH2+][C@H]2CCN(C(=O)C(N)=O)[C@@H]2C)o1 ZINC000986773909 656138189 /nfs/dbraw/zinc/13/81/89/656138189.db2.gz AGLLULCRTWLJDK-SVRRBLITSA-N 1 2 267.289 -1.058 20 0 CAADLO C[C@H]1[C@@H]([NH2+]Cc2cnon2)CCN1C(=O)C(N)=O ZINC000986791459 656138227 /nfs/dbraw/zinc/13/82/27/656138227.db2.gz DYDLDGMBXIVYLV-XPUUQOCRSA-N 1 2 253.262 -1.366 20 0 CAADLO Cn1nnnc1C[N@H+](C)CC1CCN(C(=O)C(N)=O)CC1 ZINC001029989707 656138754 /nfs/dbraw/zinc/13/87/54/656138754.db2.gz IEPYCVWKQIWYRN-UHFFFAOYSA-N 1 2 295.347 -1.634 20 0 CAADLO Cn1nnnc1C[N@@H+](C)CC1CCN(C(=O)C(N)=O)CC1 ZINC001029989707 656138756 /nfs/dbraw/zinc/13/87/56/656138756.db2.gz IEPYCVWKQIWYRN-UHFFFAOYSA-N 1 2 295.347 -1.634 20 0 CAADLO NC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2CCC(=O)NC2)CC1 ZINC000109476708 656139041 /nfs/dbraw/zinc/13/90/41/656139041.db2.gz KJAVAPVWUMOYPQ-SNVBAGLBSA-N 1 2 282.344 -1.468 20 0 CAADLO NC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2CCC(=O)NC2)CC1 ZINC000109476708 656139049 /nfs/dbraw/zinc/13/90/49/656139049.db2.gz KJAVAPVWUMOYPQ-SNVBAGLBSA-N 1 2 282.344 -1.468 20 0 CAADLO COCC(=O)N1C[C@H]([NH2+]Cc2nc(=O)n(C)[nH]2)C[C@@H]1C ZINC000987655399 656141212 /nfs/dbraw/zinc/14/12/12/656141212.db2.gz LGCUXSWVOVCPRU-DTWKUNHWSA-N 1 2 283.332 -1.166 20 0 CAADLO C[C@@H]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)CN1C(=O)C(N)=O ZINC001013959312 656141708 /nfs/dbraw/zinc/14/17/08/656141708.db2.gz ODBGQECXOUTRRC-RKDXNWHRSA-N 1 2 293.327 -1.447 20 0 CAADLO C[C@@H]1[C@@H](NC(=O)Cn2cc[nH+]c2)CCN1C(=O)C(N)=O ZINC000988776946 656146074 /nfs/dbraw/zinc/14/60/74/656146074.db2.gz XIVTZUVLWGDPAQ-BDAKNGLRSA-N 1 2 279.300 -1.526 20 0 CAADLO CCn1ncc(C(=O)N[C@H]2CC[N@@H+]([C@@H]3CCNC3=O)C2)n1 ZINC001014357385 656148244 /nfs/dbraw/zinc/14/82/44/656148244.db2.gz OVJSHSDEINIADB-GXSJLCMTSA-N 1 2 292.343 -1.009 20 0 CAADLO CCn1ncc(C(=O)N[C@H]2CC[N@H+]([C@@H]3CCNC3=O)C2)n1 ZINC001014357385 656148249 /nfs/dbraw/zinc/14/82/49/656148249.db2.gz OVJSHSDEINIADB-GXSJLCMTSA-N 1 2 292.343 -1.009 20 0 CAADLO C[C@H]1C[C@@H]([NH2+]Cc2nnnn2C)CN1C(=O)C(N)=O ZINC000989384871 656148735 /nfs/dbraw/zinc/14/87/35/656148735.db2.gz QCJNEPIZCUQRSK-NKWVEPMBSA-N 1 2 267.293 -2.226 20 0 CAADLO C[C@@H]1C[C@@H]([NH2+]Cc2ncnn2C)CN1C(=O)C(N)=O ZINC000989378874 656148744 /nfs/dbraw/zinc/14/87/44/656148744.db2.gz CYMKEXUUVRSJTF-HTQZYQBOSA-N 1 2 266.305 -1.621 20 0 CAADLO Cc1nnc(C[NH2+][C@H]2C[C@@H](C)N(C(=O)C(N)=O)C2)o1 ZINC000989379810 656148777 /nfs/dbraw/zinc/14/87/77/656148777.db2.gz JOIVOOJRIMPUAY-SVRRBLITSA-N 1 2 267.289 -1.058 20 0 CAADLO C[C@H]1C[C@H]([NH2+]Cc2cnn(C)n2)CN1C(=O)C(N)=O ZINC000989384604 656148815 /nfs/dbraw/zinc/14/88/15/656148815.db2.gz OTCYLQGYDSRZJY-YUMQZZPRSA-N 1 2 266.305 -1.621 20 0 CAADLO C[C@H]1C[C@H]([NH2+]Cc2nc(=O)n(C)[nH]2)CN1C(=O)C(N)=O ZINC000989383677 656148842 /nfs/dbraw/zinc/14/88/42/656148842.db2.gz KECKJJUAYQSNGW-BQBZGAKWSA-N 1 2 282.304 -2.327 20 0 CAADLO C[C@@H]1C[C@@H]([NH2+]Cc2ncnn2CCF)CN1C(=O)C(N)=O ZINC000989382487 656148967 /nfs/dbraw/zinc/14/89/67/656148967.db2.gz FFAGAHFHYFKSOR-RKDXNWHRSA-N 1 2 298.322 -1.188 20 0 CAADLO CCn1ncc(C[NH2+][C@@H]2C[C@H](C)N(C(=O)C(N)=O)C2)n1 ZINC000989379721 656149053 /nfs/dbraw/zinc/14/90/53/656149053.db2.gz IOBHEESJDHGVBS-DTWKUNHWSA-N 1 2 280.332 -1.138 20 0 CAADLO Cc1nnc(C[NH2+][C@@H]2C[C@@H](C)N(C(=O)C(N)=O)C2)o1 ZINC000989379808 656149089 /nfs/dbraw/zinc/14/90/89/656149089.db2.gz JOIVOOJRIMPUAY-HTRCEHHLSA-N 1 2 267.289 -1.058 20 0 CAADLO Cc1nnc(C[NH2+][C@H]2C[C@H](C)N(C(=O)C(N)=O)C2)o1 ZINC000989379811 656149140 /nfs/dbraw/zinc/14/91/40/656149140.db2.gz JOIVOOJRIMPUAY-XPUUQOCRSA-N 1 2 267.289 -1.058 20 0 CAADLO C[C@@H]1C[C@@H]([NH2+]Cc2nnnn2C2CC2)CN1C(=O)C(N)=O ZINC000989380826 656149190 /nfs/dbraw/zinc/14/91/90/656149190.db2.gz QFELGZSRTFCEIG-HTQZYQBOSA-N 1 2 293.331 -1.428 20 0 CAADLO CCn1ncc(C[NH2+][C@@H]2C[C@@H](C)N(C(=O)C(N)=O)C2)n1 ZINC000989379725 656149194 /nfs/dbraw/zinc/14/91/94/656149194.db2.gz IOBHEESJDHGVBS-RKDXNWHRSA-N 1 2 280.332 -1.138 20 0 CAADLO C[C@H]1C[C@@H]([NH2+]Cc2nnnn2C2CC2)CN1C(=O)C(N)=O ZINC000989380832 656149200 /nfs/dbraw/zinc/14/92/00/656149200.db2.gz QFELGZSRTFCEIG-JGVFFNPUSA-N 1 2 293.331 -1.428 20 0 CAADLO C[C@H]1C[C@@H]([NH2+]Cc2nc(=O)n(C)[nH]2)CN1C(=O)C(N)=O ZINC000989383678 656149213 /nfs/dbraw/zinc/14/92/13/656149213.db2.gz KECKJJUAYQSNGW-NKWVEPMBSA-N 1 2 282.304 -2.327 20 0 CAADLO CC(C)n1nnnc1C[NH2+][C@H]1C[C@@H](C)N(C(=O)C(N)=O)C1 ZINC000989382948 656149419 /nfs/dbraw/zinc/14/94/19/656149419.db2.gz HUFVMQUXSAODRB-BDAKNGLRSA-N 1 2 295.347 -1.182 20 0 CAADLO C[C@H]1C[C@H]([NH2+]Cc2cnon2)CN1C(=O)C(N)=O ZINC000989398837 656149471 /nfs/dbraw/zinc/14/94/71/656149471.db2.gz QCGCUXDAIQXTEL-BQBZGAKWSA-N 1 2 253.262 -1.366 20 0 CAADLO CCn1ncnc1C[NH2+][C@@H]1C[C@@H](C)N(C(=O)C(N)=O)C1 ZINC000989382831 656149480 /nfs/dbraw/zinc/14/94/80/656149480.db2.gz HGAMSISCDFYHRE-RKDXNWHRSA-N 1 2 280.332 -1.138 20 0 CAADLO CC(C)n1nnnc1C[NH2+][C@@H]1C[C@H](C)N(C(=O)C(N)=O)C1 ZINC000989382957 656149574 /nfs/dbraw/zinc/14/95/74/656149574.db2.gz HUFVMQUXSAODRB-DTWKUNHWSA-N 1 2 295.347 -1.182 20 0 CAADLO CN(C)C(=O)C[N@H+]1CCCN(C(=O)Cc2nnc[nH]2)CC1 ZINC000989451049 656149928 /nfs/dbraw/zinc/14/99/28/656149928.db2.gz AEPADFFJMRGEAX-UHFFFAOYSA-N 1 2 294.359 -1.030 20 0 CAADLO Cn1c[nH+]cc1CC(=O)N1CCCN(CC(N)=O)CC1 ZINC000989483360 656150120 /nfs/dbraw/zinc/15/01/20/656150120.db2.gz TUJLKOZFFDCWIJ-UHFFFAOYSA-N 1 2 279.344 -1.018 20 0 CAADLO Cn1cncc1CC(=O)N1CCC[N@H+](CC(N)=O)CC1 ZINC000989483360 656150122 /nfs/dbraw/zinc/15/01/22/656150122.db2.gz TUJLKOZFFDCWIJ-UHFFFAOYSA-N 1 2 279.344 -1.018 20 0 CAADLO Cn1cncc1CC(=O)N1CCC[N@@H+](CC(N)=O)CC1 ZINC000989483360 656150123 /nfs/dbraw/zinc/15/01/23/656150123.db2.gz TUJLKOZFFDCWIJ-UHFFFAOYSA-N 1 2 279.344 -1.018 20 0 CAADLO O=C(Cc1nnc[nH]1)N1CCC[N@H+]([C@@H]2CCNC2=O)CC1 ZINC000989452927 656150165 /nfs/dbraw/zinc/15/01/65/656150165.db2.gz VNPJTFYSYAORTF-SNVBAGLBSA-N 1 2 292.343 -1.230 20 0 CAADLO O=C(Cc1nnc[nH]1)N1CCC[N@H+]([C@H]2CCNC2=O)CC1 ZINC000989452926 656150306 /nfs/dbraw/zinc/15/03/06/656150306.db2.gz VNPJTFYSYAORTF-JTQLQIEISA-N 1 2 292.343 -1.230 20 0 CAADLO O=C([C@@H]1CCC(=O)N1)N1CCC[N@@H+]([C@@H]2CCNC2=O)CC1 ZINC000989516656 656150329 /nfs/dbraw/zinc/15/03/29/656150329.db2.gz COIGHFSZQCSFGN-WDEREUQCSA-N 1 2 294.355 -1.312 20 0 CAADLO O=C([C@@H]1CCC(=O)N1)N1CCC[N@H+]([C@@H]2CCNC2=O)CC1 ZINC000989516656 656150331 /nfs/dbraw/zinc/15/03/31/656150331.db2.gz COIGHFSZQCSFGN-WDEREUQCSA-N 1 2 294.355 -1.312 20 0 CAADLO C[C@@H]1[C@@H](NC(=O)C(N)=O)CCN1C(=O)Cc1[nH]cc[nH+]1 ZINC000989593111 656151164 /nfs/dbraw/zinc/15/11/64/656151164.db2.gz JFBDRNINLLJWNO-SFYZADRCSA-N 1 2 279.300 -1.457 20 0 CAADLO NC(=O)C[N@@H+]1CCCN(C(=O)CN2C(=O)CNC2=O)CC1 ZINC000989624017 656151523 /nfs/dbraw/zinc/15/15/23/656151523.db2.gz SIVOBFSMGNHBED-UHFFFAOYSA-N 1 2 297.315 -2.442 20 0 CAADLO NC(=O)C[N@H+]1CCCN(C(=O)CN2C(=O)CNC2=O)CC1 ZINC000989624017 656151525 /nfs/dbraw/zinc/15/15/25/656151525.db2.gz SIVOBFSMGNHBED-UHFFFAOYSA-N 1 2 297.315 -2.442 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CCCN(C(=O)Cn2cncn2)CC1 ZINC000989619394 656151679 /nfs/dbraw/zinc/15/16/79/656151679.db2.gz IFNDQDAGSAAMIG-SNVBAGLBSA-N 1 2 280.332 -1.314 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CCCN(C(=O)Cn2cncn2)CC1 ZINC000989619394 656151680 /nfs/dbraw/zinc/15/16/80/656151680.db2.gz IFNDQDAGSAAMIG-SNVBAGLBSA-N 1 2 280.332 -1.314 20 0 CAADLO Cn1ccc(C[N@@H+]2CC[C@H](NC(=O)Cn3ncnn3)C2)n1 ZINC001014425034 656151704 /nfs/dbraw/zinc/15/17/04/656151704.db2.gz COWGQFBHAPONQY-JTQLQIEISA-N 1 2 290.331 -1.203 20 0 CAADLO Cn1ccc(C[N@H+]2CC[C@H](NC(=O)Cn3ncnn3)C2)n1 ZINC001014425034 656151705 /nfs/dbraw/zinc/15/17/05/656151705.db2.gz COWGQFBHAPONQY-JTQLQIEISA-N 1 2 290.331 -1.203 20 0 CAADLO C[C@@H]1[C@@H](NC(=O)C(N)=O)CCN1C(=O)Cn1cc[nH+]c1 ZINC000989601246 656151746 /nfs/dbraw/zinc/15/17/46/656151746.db2.gz WFXAEJHNTHDNMO-BDAKNGLRSA-N 1 2 279.300 -1.526 20 0 CAADLO C[C@@H]1C[C@H]([NH2+]CC(N)=O)CN1C(=O)Cc1ncn[nH]1 ZINC000989656597 656151943 /nfs/dbraw/zinc/15/19/43/656151943.db2.gz HKXCAFSCSAELOH-SFYZADRCSA-N 1 2 266.305 -1.589 20 0 CAADLO NC(=O)CN1CCCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC000989789061 656152875 /nfs/dbraw/zinc/15/28/75/656152875.db2.gz TYNMSEZPAKLAOT-UHFFFAOYSA-N 1 2 265.317 -1.097 20 0 CAADLO NC(=O)C[N@@H+]1CCCN(C(=O)C[C@H]2CC(=O)NC2=O)CC1 ZINC000989806663 656152883 /nfs/dbraw/zinc/15/28/83/656152883.db2.gz JZUWTUXYRFZOCL-SECBINFHSA-N 1 2 296.327 -1.941 20 0 CAADLO NC(=O)C[N@H+]1CCCN(C(=O)C[C@H]2CC(=O)NC2=O)CC1 ZINC000989806663 656152886 /nfs/dbraw/zinc/15/28/86/656152886.db2.gz JZUWTUXYRFZOCL-SECBINFHSA-N 1 2 296.327 -1.941 20 0 CAADLO O=C(Cn1cnnn1)NC1CN(C(=O)Cn2cc[nH+]c2)C1 ZINC000990185505 656156372 /nfs/dbraw/zinc/15/63/72/656156372.db2.gz LFSPQUFNCOPSTP-UHFFFAOYSA-N 1 2 290.287 -2.103 20 0 CAADLO C[C@@H]1[C@@H](NC(=O)Cc2c[nH]c[nH+]2)CCN1C(=O)CC(N)=O ZINC000990429546 656160029 /nfs/dbraw/zinc/16/00/29/656160029.db2.gz AAONFRWJPFOEFZ-SCZZXKLOSA-N 1 2 293.327 -1.067 20 0 CAADLO O=C(Cn1cc[nH+]c1)N1CC(NC(=O)[C@H]2CCC(=O)N2)C1 ZINC000990503057 656161891 /nfs/dbraw/zinc/16/18/91/656161891.db2.gz MORQCONFUSIPJM-SNVBAGLBSA-N 1 2 291.311 -1.511 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CC(=O)N(C)C2)C1 ZINC001014616371 656162866 /nfs/dbraw/zinc/16/28/66/656162866.db2.gz KWXKSGYAXPJSTH-UWVGGRQHSA-N 1 2 282.344 -1.599 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@H]2CC(=O)N(C)C2)C1 ZINC001014616371 656162867 /nfs/dbraw/zinc/16/28/67/656162867.db2.gz KWXKSGYAXPJSTH-UWVGGRQHSA-N 1 2 282.344 -1.599 20 0 CAADLO CO[N-]C(=O)CNC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000927218537 656163893 /nfs/dbraw/zinc/16/38/93/656163893.db2.gz TVZKMAJIWYULAX-UHFFFAOYSA-N 1 2 289.380 -1.153 20 0 CAADLO CO[N-]C(=O)CNC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000927218537 656163896 /nfs/dbraw/zinc/16/38/96/656163896.db2.gz TVZKMAJIWYULAX-UHFFFAOYSA-N 1 2 289.380 -1.153 20 0 CAADLO NC(=O)C(=O)N1CC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000938193646 656163973 /nfs/dbraw/zinc/16/39/73/656163973.db2.gz CDZFQJCLGQCTTK-QMMMGPOBSA-N 1 2 265.273 -1.915 20 0 CAADLO NC(=O)CC(=O)N1CC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000938196039 656164415 /nfs/dbraw/zinc/16/44/15/656164415.db2.gz TZLBYHWFFQSCJZ-VIFPVBQESA-N 1 2 279.300 -1.524 20 0 CAADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2C[C@@H]2C(N)=O)CC1 ZINC000900171450 656165625 /nfs/dbraw/zinc/16/56/25/656165625.db2.gz LBOXPHIWNPIWFJ-WDEREUQCSA-N 1 2 296.371 -1.222 20 0 CAADLO CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2C[C@@H]2C(N)=O)CC1 ZINC000900171450 656165628 /nfs/dbraw/zinc/16/56/28/656165628.db2.gz LBOXPHIWNPIWFJ-WDEREUQCSA-N 1 2 296.371 -1.222 20 0 CAADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1C[C@@H]1C(N)=O ZINC000900209685 656166182 /nfs/dbraw/zinc/16/61/82/656166182.db2.gz UNOKTTOOZFDKQY-LPEHRKFASA-N 1 2 255.318 -1.055 20 0 CAADLO C[N@@H+]1CCO[C@H](CNC(=O)C2CN(S(C)(=O)=O)C2)C1 ZINC000900439112 656167225 /nfs/dbraw/zinc/16/72/25/656167225.db2.gz PHSNCACZORZONE-SNVBAGLBSA-N 1 2 291.373 -1.675 20 0 CAADLO C[N@H+]1CCO[C@H](CNC(=O)C2CN(S(C)(=O)=O)C2)C1 ZINC000900439112 656167227 /nfs/dbraw/zinc/16/72/27/656167227.db2.gz PHSNCACZORZONE-SNVBAGLBSA-N 1 2 291.373 -1.675 20 0 CAADLO C[C@@H]1C[N@H+](CCNC(=O)CN2CCNC(=O)C2)CCO1 ZINC000900486270 656167658 /nfs/dbraw/zinc/16/76/58/656167658.db2.gz UQBLRNPQZKBEBG-LLVKDONJSA-N 1 2 284.360 -1.745 20 0 CAADLO C[C@@H]1C[N@@H+](CCNC(=O)CN2CCNC(=O)C2)CCO1 ZINC000900486270 656167661 /nfs/dbraw/zinc/16/76/61/656167661.db2.gz UQBLRNPQZKBEBG-LLVKDONJSA-N 1 2 284.360 -1.745 20 0 CAADLO CC1(C)C[N@H+](CCNC(=O)CN2CCNC(=O)C2)CCO1 ZINC000900484637 656167761 /nfs/dbraw/zinc/16/77/61/656167761.db2.gz QXSMAUUSTXQVTG-UHFFFAOYSA-N 1 2 298.387 -1.355 20 0 CAADLO CC1(C)C[N@@H+](CCNC(=O)CN2CCNC(=O)C2)CCO1 ZINC000900484637 656167763 /nfs/dbraw/zinc/16/77/63/656167763.db2.gz QXSMAUUSTXQVTG-UHFFFAOYSA-N 1 2 298.387 -1.355 20 0 CAADLO C[C@H]1C[N@H+](CCNC(=O)[C@H]2OCCN(C)C2=O)CCO1 ZINC000900487912 656167881 /nfs/dbraw/zinc/16/78/81/656167881.db2.gz ZAGMYZMJVQLJQW-WDEREUQCSA-N 1 2 285.344 -1.320 20 0 CAADLO C[C@H]1C[N@@H+](CCNC(=O)[C@H]2OCCN(C)C2=O)CCO1 ZINC000900487912 656167882 /nfs/dbraw/zinc/16/78/82/656167882.db2.gz ZAGMYZMJVQLJQW-WDEREUQCSA-N 1 2 285.344 -1.320 20 0 CAADLO C[C@@H]1C[N@H+](CCNC(=O)[C@@H]2C[C@@H]2C(N)=O)CCO1 ZINC000900487149 656167937 /nfs/dbraw/zinc/16/79/37/656167937.db2.gz XRSJQQJPEPHPMJ-KXUCPTDWSA-N 1 2 255.318 -1.055 20 0 CAADLO C[C@@H]1C[N@@H+](CCNC(=O)[C@@H]2C[C@@H]2C(N)=O)CCO1 ZINC000900487149 656167939 /nfs/dbraw/zinc/16/79/39/656167939.db2.gz XRSJQQJPEPHPMJ-KXUCPTDWSA-N 1 2 255.318 -1.055 20 0 CAADLO C[C@H](NC(=O)[C@@H]1CN(C)C(=O)N1)[C@H]1CN(C)CC[N@@H+]1C ZINC000900801176 656171866 /nfs/dbraw/zinc/17/18/66/656171866.db2.gz BNMJOOOWHNZDFJ-GARJFASQSA-N 1 2 283.376 -1.240 20 0 CAADLO C[C@H](NC(=O)[C@@H]1CN(C)C(=O)N1)[C@H]1CN(C)CC[N@H+]1C ZINC000900801176 656171868 /nfs/dbraw/zinc/17/18/68/656171868.db2.gz BNMJOOOWHNZDFJ-GARJFASQSA-N 1 2 283.376 -1.240 20 0 CAADLO C[C@H](NC(=O)[C@H]1COC(=O)N1)[C@H]1CN(C)CC[N@@H+]1C ZINC000900804710 656171899 /nfs/dbraw/zinc/17/18/99/656171899.db2.gz LNLIRJBATRMNJS-IVZWLZJFSA-N 1 2 270.333 -1.155 20 0 CAADLO C[C@H](NC(=O)[C@H]1COC(=O)N1)[C@H]1CN(C)CC[N@H+]1C ZINC000900804710 656171906 /nfs/dbraw/zinc/17/19/06/656171906.db2.gz LNLIRJBATRMNJS-IVZWLZJFSA-N 1 2 270.333 -1.155 20 0 CAADLO C[C@H](NC(=O)[C@@H]1C[C@@H]1C(N)=O)[C@@H]1CN(C)CC[N@@H+]1C ZINC000900806205 656172054 /nfs/dbraw/zinc/17/20/54/656172054.db2.gz SKUNLVJUGNAVRI-MMWGEVLESA-N 1 2 268.361 -1.142 20 0 CAADLO C[C@H](NC(=O)[C@@H]1C[C@@H]1C(N)=O)[C@@H]1CN(C)CC[N@H+]1C ZINC000900806205 656172055 /nfs/dbraw/zinc/17/20/55/656172055.db2.gz SKUNLVJUGNAVRI-MMWGEVLESA-N 1 2 268.361 -1.142 20 0 CAADLO C[C@H](NC(=O)[C@H]1CN(C)C(=O)N1)[C@H]1CN(C)CC[N@@H+]1C ZINC000900801177 656172246 /nfs/dbraw/zinc/17/22/46/656172246.db2.gz BNMJOOOWHNZDFJ-HBNTYKKESA-N 1 2 283.376 -1.240 20 0 CAADLO C[C@H](NC(=O)[C@H]1CN(C)C(=O)N1)[C@H]1CN(C)CC[N@H+]1C ZINC000900801177 656172250 /nfs/dbraw/zinc/17/22/50/656172250.db2.gz BNMJOOOWHNZDFJ-HBNTYKKESA-N 1 2 283.376 -1.240 20 0 CAADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@@H](O)C(C)(C)O ZINC000900981469 656173737 /nfs/dbraw/zinc/17/37/37/656173737.db2.gz BFEFUVGVQMQYDY-WDEREUQCSA-N 1 2 290.360 -1.730 20 0 CAADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)[C@@H](O)C(C)(C)O ZINC000900981458 656173799 /nfs/dbraw/zinc/17/37/99/656173799.db2.gz BFEFUVGVQMQYDY-GHMZBOCLSA-N 1 2 290.360 -1.730 20 0 CAADLO CN1CCO[C@@H](C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)C1=O ZINC000901035566 656175200 /nfs/dbraw/zinc/17/52/00/656175200.db2.gz OMMHYOFIHCRBMZ-NWDGAFQWSA-N 1 2 297.355 -1.223 20 0 CAADLO C/C(=C/C(=O)NCCOCC(N)=O)C[NH+]1CCOCC1 ZINC000901057301 656175769 /nfs/dbraw/zinc/17/57/69/656175769.db2.gz GSSHHXILDVTCSC-FLIBITNWSA-N 1 2 285.344 -1.117 20 0 CAADLO COC[C@@H](NC(=O)/C=C(\C)C[NH+]1CCOCC1)C(N)=O ZINC000901234146 656178659 /nfs/dbraw/zinc/17/86/59/656178659.db2.gz MQCVHZFTMPZXSR-PFEDMVJOSA-N 1 2 285.344 -1.119 20 0 CAADLO COC(=O)[C@@H](O)CNC(=O)/C=C(/C)C[NH+]1CCOCC1 ZINC000901254850 656179548 /nfs/dbraw/zinc/17/95/48/656179548.db2.gz HSVVFYULRBINRC-BRNRAETOSA-N 1 2 286.328 -1.085 20 0 CAADLO C/C(=C\C(=O)NOCC(N)=O)C[NH+]1CCOCC1 ZINC000901319092 656180209 /nfs/dbraw/zinc/18/02/09/656180209.db2.gz UWRCSQUFQYPNNB-RMKNXTFCSA-N 1 2 257.290 -1.202 20 0 CAADLO Cn1ncnc1C(=O)NCC[N@@H+]1CCC2(C1)OCCO2 ZINC000902802825 656183601 /nfs/dbraw/zinc/18/36/01/656183601.db2.gz CVVCCTKENHEJDC-UHFFFAOYSA-N 1 2 281.316 -1.006 20 0 CAADLO Cn1ncnc1C(=O)NCC[N@H+]1CCC2(C1)OCCO2 ZINC000902802825 656183604 /nfs/dbraw/zinc/18/36/04/656183604.db2.gz CVVCCTKENHEJDC-UHFFFAOYSA-N 1 2 281.316 -1.006 20 0 CAADLO COC[C@H]1C[NH2+]CCN1C(=O)C(=O)N(C)Cc1cnc[nH]1 ZINC000905022498 656189921 /nfs/dbraw/zinc/18/99/21/656189921.db2.gz RPDAFAXEIQKKFB-LLVKDONJSA-N 1 2 295.343 -1.185 20 0 CAADLO OC[C@@H](C[NH+]1CCCC1)NC[C@H](O)C1(O)CCOCC1 ZINC000905377718 656191438 /nfs/dbraw/zinc/19/14/38/656191438.db2.gz ZLCVYZGTVLRAMW-OLZOCXBDSA-N 1 2 288.388 -1.065 20 0 CAADLO OC[C@H](C[NH+]1CCCC1)NC[C@@H](O)C1(O)CCOCC1 ZINC000905377719 656191744 /nfs/dbraw/zinc/19/17/44/656191744.db2.gz ZLCVYZGTVLRAMW-QWHCGFSZSA-N 1 2 288.388 -1.065 20 0 CAADLO COC(=O)CC(=O)NCC[NH+]1CCN(C(C)=O)CC1 ZINC000906161317 656192889 /nfs/dbraw/zinc/19/28/89/656192889.db2.gz DIZMGBZWPAURNM-UHFFFAOYSA-N 1 2 271.317 -1.170 20 0 CAADLO C[C@H](C[NH+]1CCOCC1)NC(=O)CCNC(=O)CO ZINC000906176917 656192964 /nfs/dbraw/zinc/19/29/64/656192964.db2.gz JIIVFDOHOQXYOO-SNVBAGLBSA-N 1 2 273.333 -1.678 20 0 CAADLO C[C@@H]1C[N@H+](CCNC(=O)CCNC(=O)CO)CCO1 ZINC000906489971 656192998 /nfs/dbraw/zinc/19/29/98/656192998.db2.gz XEWCKOKJOMZMOM-SNVBAGLBSA-N 1 2 273.333 -1.678 20 0 CAADLO C[C@@H]1C[N@@H+](CCNC(=O)CCNC(=O)CO)CCO1 ZINC000906489971 656193000 /nfs/dbraw/zinc/19/30/00/656193000.db2.gz XEWCKOKJOMZMOM-SNVBAGLBSA-N 1 2 273.333 -1.678 20 0 CAADLO CC1(C)COCC[N@@H+]1CCNC(=O)CCNC(=O)CO ZINC000906556641 656193091 /nfs/dbraw/zinc/19/30/91/656193091.db2.gz PZOMXANBWBFRFD-UHFFFAOYSA-N 1 2 287.360 -1.288 20 0 CAADLO CC1(C)COCC[N@H+]1CCNC(=O)CCNC(=O)CO ZINC000906556641 656193094 /nfs/dbraw/zinc/19/30/94/656193094.db2.gz PZOMXANBWBFRFD-UHFFFAOYSA-N 1 2 287.360 -1.288 20 0 CAADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)CCNC(=O)CO ZINC000906176915 656193347 /nfs/dbraw/zinc/19/33/47/656193347.db2.gz JIIVFDOHOQXYOO-JTQLQIEISA-N 1 2 273.333 -1.678 20 0 CAADLO O=C(CO)NCCC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000906827960 656194688 /nfs/dbraw/zinc/19/46/88/656194688.db2.gz ZFVJFUNUCLIMFO-GFCCVEGCSA-N 1 2 299.371 -1.192 20 0 CAADLO Cn1c[nH+]cc1CCNC(=O)[C@@H]1OCCN(C)C1=O ZINC000907308072 656196722 /nfs/dbraw/zinc/19/67/22/656196722.db2.gz OIRWAKJGCDSJNC-JTQLQIEISA-N 1 2 266.301 -1.064 20 0 CAADLO C/C(=C/C(=O)N1CC[C@](O)(C(N)=O)C1)C[NH+]1CCOCC1 ZINC000907649441 656201128 /nfs/dbraw/zinc/20/11/28/656201128.db2.gz WGTVACLMQKUHKG-KOTGUFOOSA-N 1 2 297.355 -1.286 20 0 CAADLO C/C(=C/C(=O)N1CC[C@@](O)(C(N)=O)C1)C[NH+]1CCOCC1 ZINC000907649445 656201453 /nfs/dbraw/zinc/20/14/53/656201453.db2.gz WGTVACLMQKUHKG-MSKHEQNASA-N 1 2 297.355 -1.286 20 0 CAADLO NC(=O)CCC(=O)NC[C@H]1CN2CC[N@@H+]1CCC2 ZINC000908027986 656205399 /nfs/dbraw/zinc/20/53/99/656205399.db2.gz JYZMWQGKQGKTTC-JTQLQIEISA-N 1 2 254.334 -1.242 20 0 CAADLO NC(=O)CCC(=O)NC[C@H]1CN2CC[N@H+]1CCC2 ZINC000908027986 656205405 /nfs/dbraw/zinc/20/54/05/656205405.db2.gz JYZMWQGKQGKTTC-JTQLQIEISA-N 1 2 254.334 -1.242 20 0 CAADLO O=C(CO)NCCC(=O)NC[C@@H]1CN2CC[N@@H+]1CCC2 ZINC000908027634 656205594 /nfs/dbraw/zinc/20/55/94/656205594.db2.gz IALDBCFEOHTDPO-LLVKDONJSA-N 1 2 284.360 -2.009 20 0 CAADLO O=C(CO)NCCC(=O)NC[C@@H]1CN2CC[N@H+]1CCC2 ZINC000908027634 656205598 /nfs/dbraw/zinc/20/55/98/656205598.db2.gz IALDBCFEOHTDPO-LLVKDONJSA-N 1 2 284.360 -2.009 20 0 CAADLO O=C(CN1CCNC(=O)C1)N[C@H]1CCc2c[nH+]cn2C1 ZINC000908135645 656207685 /nfs/dbraw/zinc/20/76/85/656207685.db2.gz TYRDCYRXNYPEIN-JTQLQIEISA-N 1 2 277.328 -1.254 20 0 CAADLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)CCNC(=O)CO ZINC000908145640 656208238 /nfs/dbraw/zinc/20/82/38/656208238.db2.gz OBMRNHPPYRNKOV-RYUDHWBXSA-N 1 2 299.371 -1.193 20 0 CAADLO Cn1nncc1C(=O)NC1CN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000991110099 656208811 /nfs/dbraw/zinc/20/88/11/656208811.db2.gz ZGYXUZOZYKKKIC-UHFFFAOYSA-N 1 2 289.299 -1.279 20 0 CAADLO O=C(Cc1[nH]cc[nH+]1)N1CC(NC(=O)[C@@H]2COC(=O)N2)C1 ZINC000991116554 656209059 /nfs/dbraw/zinc/20/90/59/656209059.db2.gz JRHBGJRJJRLLBR-QMMMGPOBSA-N 1 2 293.283 -1.612 20 0 CAADLO O=C(Cc1[nH]cc[nH+]1)N1CC(NC(=O)[C@H]2COC(=O)N2)C1 ZINC000991116552 656209373 /nfs/dbraw/zinc/20/93/73/656209373.db2.gz JRHBGJRJJRLLBR-MRVPVSSYSA-N 1 2 293.283 -1.612 20 0 CAADLO O=C(Cn1cc[nH+]c1)N1CC(NC(=O)[C@@H]2COC(=O)N2)C1 ZINC000991122307 656209849 /nfs/dbraw/zinc/20/98/49/656209849.db2.gz WMJVJBWSSTUQPU-VIFPVBQESA-N 1 2 293.283 -1.682 20 0 CAADLO Cn1c[nH+]cc1CNC(=O)[C@H]1OCCN(C)C1=O ZINC000908262257 656211791 /nfs/dbraw/zinc/21/17/91/656211791.db2.gz WURHERDXAITQIG-SECBINFHSA-N 1 2 252.274 -1.107 20 0 CAADLO CN1CCO[C@H](C(=O)N[C@H]2Cc3c[nH+]cn3C2)C1=O ZINC000908757832 656216224 /nfs/dbraw/zinc/21/62/24/656216224.db2.gz CWPJMMPQBHJNIL-WCBMZHEXSA-N 1 2 264.285 -1.219 20 0 CAADLO Cn1cc(C(=O)NC2CN(C(=O)Cc3c[nH+]c[nH]3)C2)nn1 ZINC000991178501 656219621 /nfs/dbraw/zinc/21/96/21/656219621.db2.gz ZCMWWEFWKAGPHZ-UHFFFAOYSA-N 1 2 289.299 -1.279 20 0 CAADLO Cn1c[nH+]c(CCNC(=O)[C@H]2OCCN(C)C2=O)c1 ZINC000909855492 656220381 /nfs/dbraw/zinc/22/03/81/656220381.db2.gz FYLGMFIVCZWKEN-SNVBAGLBSA-N 1 2 266.301 -1.064 20 0 CAADLO COCC(COC)[NH+]1CCN(C(=O)[C@@H]2C[C@@H]2C(N)=O)CC1 ZINC000910403113 656222947 /nfs/dbraw/zinc/22/29/47/656222947.db2.gz LZASCRCQGUXFLI-NWDGAFQWSA-N 1 2 299.371 -1.087 20 0 CAADLO NS(=O)(=O)C1CN(C(=O)CCn2cc[nH+]c2)C1 ZINC000910521166 656223828 /nfs/dbraw/zinc/22/38/28/656223828.db2.gz ZSYTXUKLRFNQOR-UHFFFAOYSA-N 1 2 258.303 -1.228 20 0 CAADLO C[C@H](C(=O)N1CC(S(N)(=O)=O)C1)[NH+]1CCSCC1 ZINC000910528739 656224003 /nfs/dbraw/zinc/22/40/03/656224003.db2.gz XMRSXSXJVHRRSP-MRVPVSSYSA-N 1 2 293.414 -1.077 20 0 CAADLO C[N@@H+]1C[C@@H](O)C[C@]1(C)C(=O)N1CC2(C1)CS(=O)(=O)C2 ZINC000910710318 656227228 /nfs/dbraw/zinc/22/72/28/656227228.db2.gz LHCIBLKUKVSAQW-GXSJLCMTSA-N 1 2 288.369 -1.302 20 0 CAADLO C[N@H+]1C[C@@H](O)C[C@]1(C)C(=O)N1CC2(C1)CS(=O)(=O)C2 ZINC000910710318 656227232 /nfs/dbraw/zinc/22/72/32/656227232.db2.gz LHCIBLKUKVSAQW-GXSJLCMTSA-N 1 2 288.369 -1.302 20 0 CAADLO C[NH+]1CCN(C(=O)C(=O)N2C3CCC2(C(N)=O)CC3)CC1 ZINC000910876467 656230133 /nfs/dbraw/zinc/23/01/33/656230133.db2.gz CJNJMOWEPALLNP-UHFFFAOYSA-N 1 2 294.355 -1.231 20 0 CAADLO COC[C@H]1COCCN1C(=O)C(=O)N1CC[NH+](C)CC1 ZINC000910895621 656230549 /nfs/dbraw/zinc/23/05/49/656230549.db2.gz WSCQJGBXOKBTKL-NSHDSACASA-N 1 2 285.344 -1.366 20 0 CAADLO O=C(NCCn1cc[nH+]c1)C(=O)N[C@@H]1CNOC1 ZINC000910985853 656232037 /nfs/dbraw/zinc/23/20/37/656232037.db2.gz CNTZGJNLCOHFSN-MRVPVSSYSA-N 1 2 253.262 -1.981 20 0 CAADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)N[C@H]1CNOC1 ZINC000911229718 656239043 /nfs/dbraw/zinc/23/90/43/656239043.db2.gz MJOJCQPWNGRBGF-IUCAKERBSA-N 1 2 267.289 -1.593 20 0 CAADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)N[C@@H]1CNOC1 ZINC000911229716 656239148 /nfs/dbraw/zinc/23/91/48/656239148.db2.gz MJOJCQPWNGRBGF-DTWKUNHWSA-N 1 2 267.289 -1.593 20 0 CAADLO O=C(N[C@H]1CNOC1)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000911463988 656244578 /nfs/dbraw/zinc/24/45/78/656244578.db2.gz PVYSXUXSWDACFM-VIFPVBQESA-N 1 2 268.317 -1.687 20 0 CAADLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)C(=O)N[C@H]2CNOC2)C1 ZINC000911469667 656245322 /nfs/dbraw/zinc/24/53/22/656245322.db2.gz QZPJHDKGGVSJBV-ZJUUUORDSA-N 1 2 293.327 -1.244 20 0 CAADLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)C(=O)N[C@H]2CNOC2)C1 ZINC000911469666 656245579 /nfs/dbraw/zinc/24/55/79/656245579.db2.gz QZPJHDKGGVSJBV-UWVGGRQHSA-N 1 2 293.327 -1.244 20 0 CAADLO CN(CCCn1cc[nH+]c1)C(=O)C(=O)N[C@@H]1CNOC1 ZINC000911460997 656247167 /nfs/dbraw/zinc/24/71/67/656247167.db2.gz FHSCKVJPCWRRRE-SNVBAGLBSA-N 1 2 281.316 -1.249 20 0 CAADLO CC[NH+]1CCN(C(=O)C(=O)NCCCON)CC1 ZINC000911513809 656249553 /nfs/dbraw/zinc/24/95/53/656249553.db2.gz IYJIKEATFUIVNI-UHFFFAOYSA-N 1 2 258.322 -1.453 20 0 CAADLO C[C@@H]1C[N@H+](CCNC(=O)CN2CCNC(=O)C2)[C@H](C)CO1 ZINC000912387319 656259301 /nfs/dbraw/zinc/25/93/01/656259301.db2.gz BKMRSHKXHAKPFX-VXGBXAGGSA-N 1 2 298.387 -1.356 20 0 CAADLO C[C@@H]1C[N@@H+](CCNC(=O)CN2CCNC(=O)C2)[C@H](C)CO1 ZINC000912387319 656259304 /nfs/dbraw/zinc/25/93/04/656259304.db2.gz BKMRSHKXHAKPFX-VXGBXAGGSA-N 1 2 298.387 -1.356 20 0 CAADLO CN1C(=O)CN=C1NC(=O)/C=C/C[NH+]1CCOCC1 ZINC000912497873 656261431 /nfs/dbraw/zinc/26/14/31/656261431.db2.gz KCPYXTPUEUCFFE-NSCUHMNNSA-N 1 2 266.301 -1.181 20 0 CAADLO CN(C(=O)C1C[NH+]([C@H]2CCOC2)C1)c1nn[nH]n1 ZINC000912617906 656261696 /nfs/dbraw/zinc/26/16/96/656261696.db2.gz VFNAXVODTKPMLZ-QMMMGPOBSA-N 1 2 252.278 -1.117 20 0 CAADLO CN(C(=O)C1C[NH+]([C@@H]2CCOC2)C1)c1nn[nH]n1 ZINC000912617902 656262077 /nfs/dbraw/zinc/26/20/77/656262077.db2.gz VFNAXVODTKPMLZ-MRVPVSSYSA-N 1 2 252.278 -1.117 20 0 CAADLO CN(CC[N@H+](C)CCO)C(=O)C[C@H]1SC(=N)NC1=O ZINC000912608509 656263515 /nfs/dbraw/zinc/26/35/15/656263515.db2.gz JDXCLUQCQUXLPN-MRVPVSSYSA-N 1 2 288.373 -1.075 20 0 CAADLO CN(CC[N@@H+](C)CCO)C(=O)C[C@H]1SC(=N)NC1=O ZINC000912608509 656263521 /nfs/dbraw/zinc/26/35/21/656263521.db2.gz JDXCLUQCQUXLPN-MRVPVSSYSA-N 1 2 288.373 -1.075 20 0 CAADLO C[N@@H+]1CCN(C(=O)[C@H]2CCS(=O)(=O)N2)[C@H](CO)C1 ZINC000912735598 656264295 /nfs/dbraw/zinc/26/42/95/656264295.db2.gz BAAIQISURKFYHX-DTWKUNHWSA-N 1 2 277.346 -2.187 20 0 CAADLO C[N@H+]1CCN(C(=O)[C@H]2CCS(=O)(=O)N2)[C@H](CO)C1 ZINC000912735598 656264300 /nfs/dbraw/zinc/26/43/00/656264300.db2.gz BAAIQISURKFYHX-DTWKUNHWSA-N 1 2 277.346 -2.187 20 0 CAADLO CN1CCO[C@H](C(=O)N2CC[N@H+](C)C[C@H]2CO)C1=O ZINC000912733967 656264308 /nfs/dbraw/zinc/26/43/08/656264308.db2.gz ATJQQZPDMXKETA-UWVGGRQHSA-N 1 2 271.317 -2.022 20 0 CAADLO CN1CCO[C@H](C(=O)N2CC[N@@H+](C)C[C@H]2CO)C1=O ZINC000912733967 656264313 /nfs/dbraw/zinc/26/43/13/656264313.db2.gz ATJQQZPDMXKETA-UWVGGRQHSA-N 1 2 271.317 -2.022 20 0 CAADLO C[N@@H+]1CCN(C(=O)[C@@H]2CCS(=O)(=O)N2)[C@H](CO)C1 ZINC000912735599 656264911 /nfs/dbraw/zinc/26/49/11/656264911.db2.gz BAAIQISURKFYHX-IUCAKERBSA-N 1 2 277.346 -2.187 20 0 CAADLO C[N@H+]1CCN(C(=O)[C@@H]2CCS(=O)(=O)N2)[C@H](CO)C1 ZINC000912735599 656264917 /nfs/dbraw/zinc/26/49/17/656264917.db2.gz BAAIQISURKFYHX-IUCAKERBSA-N 1 2 277.346 -2.187 20 0 CAADLO COC(=O)N[C@@H](C)C(=O)N1CC[N@H+](C)C[C@@H]1CO ZINC000912741233 656265344 /nfs/dbraw/zinc/26/53/44/656265344.db2.gz PKKVOYDCPAXXEG-DTWKUNHWSA-N 1 2 259.306 -1.134 20 0 CAADLO CCS(=O)(=O)N[C@@H](C)C(=O)N1CC[N@H+](C)C[C@@H]1CO ZINC000912737353 656265309 /nfs/dbraw/zinc/26/53/09/656265309.db2.gz KDZZCMPBRJMEBV-VHSXEESVSA-N 1 2 293.389 -1.551 20 0 CAADLO CCS(=O)(=O)N[C@@H](C)C(=O)N1CC[N@@H+](C)C[C@@H]1CO ZINC000912737353 656265312 /nfs/dbraw/zinc/26/53/12/656265312.db2.gz KDZZCMPBRJMEBV-VHSXEESVSA-N 1 2 293.389 -1.551 20 0 CAADLO COC(=O)N[C@@H](C)C(=O)N1CC[N@@H+](C)C[C@H]1CO ZINC000912741234 656265460 /nfs/dbraw/zinc/26/54/60/656265460.db2.gz PKKVOYDCPAXXEG-IUCAKERBSA-N 1 2 259.306 -1.134 20 0 CAADLO COC(=O)N[C@@H](C)C(=O)N1CC[N@H+](C)C[C@H]1CO ZINC000912741234 656265457 /nfs/dbraw/zinc/26/54/57/656265457.db2.gz PKKVOYDCPAXXEG-IUCAKERBSA-N 1 2 259.306 -1.134 20 0 CAADLO C[N@@H+]1CCN(C(=O)C2(NC(N)=O)CC2)[C@H](CO)C1 ZINC000912741514 656265497 /nfs/dbraw/zinc/26/54/97/656265497.db2.gz WOMAAUPRVHWMBP-QMMMGPOBSA-N 1 2 256.306 -1.678 20 0 CAADLO C[N@H+]1CCN(C(=O)C2(NC(N)=O)CC2)[C@H](CO)C1 ZINC000912741514 656265500 /nfs/dbraw/zinc/26/55/00/656265500.db2.gz WOMAAUPRVHWMBP-QMMMGPOBSA-N 1 2 256.306 -1.678 20 0 CAADLO Cn1cc(C[C@@H](O)C(=O)N2CC[N@H+](C)C[C@H]2CO)cn1 ZINC000912740528 656265644 /nfs/dbraw/zinc/26/56/44/656265644.db2.gz YVYLZOHNRRXSSA-NWDGAFQWSA-N 1 2 282.344 -1.542 20 0 CAADLO Cn1cc(C[C@@H](O)C(=O)N2CC[N@@H+](C)C[C@H]2CO)cn1 ZINC000912740528 656265645 /nfs/dbraw/zinc/26/56/45/656265645.db2.gz YVYLZOHNRRXSSA-NWDGAFQWSA-N 1 2 282.344 -1.542 20 0 CAADLO CCS(=O)(=O)N[C@@H](C)C(=O)N1CC[N@H+](C)C[C@H]1CO ZINC000912737352 656265975 /nfs/dbraw/zinc/26/59/75/656265975.db2.gz KDZZCMPBRJMEBV-UWVGGRQHSA-N 1 2 293.389 -1.551 20 0 CAADLO CCS(=O)(=O)N[C@@H](C)C(=O)N1CC[N@@H+](C)C[C@H]1CO ZINC000912737352 656265978 /nfs/dbraw/zinc/26/59/78/656265978.db2.gz KDZZCMPBRJMEBV-UWVGGRQHSA-N 1 2 293.389 -1.551 20 0 CAADLO CCS(=O)(=O)N[C@H](C)C(=O)N1CC[N@H+](C)C[C@@H]1CO ZINC000912737351 656266333 /nfs/dbraw/zinc/26/63/33/656266333.db2.gz KDZZCMPBRJMEBV-NXEZZACHSA-N 1 2 293.389 -1.551 20 0 CAADLO CCS(=O)(=O)N[C@H](C)C(=O)N1CC[N@@H+](C)C[C@@H]1CO ZINC000912737351 656266336 /nfs/dbraw/zinc/26/63/36/656266336.db2.gz KDZZCMPBRJMEBV-NXEZZACHSA-N 1 2 293.389 -1.551 20 0 CAADLO C[N@@H+]1CCN(C(=O)CCn2cc[nH]c(=O)c2=O)[C@@H](CO)C1 ZINC000912743640 656266652 /nfs/dbraw/zinc/26/66/52/656266652.db2.gz BLMKXVXITYABCL-SNVBAGLBSA-N 1 2 296.327 -1.938 20 0 CAADLO C[N@H+]1CCN(C(=O)CCn2cc[nH]c(=O)c2=O)[C@@H](CO)C1 ZINC000912743640 656266656 /nfs/dbraw/zinc/26/66/56/656266656.db2.gz BLMKXVXITYABCL-SNVBAGLBSA-N 1 2 296.327 -1.938 20 0 CAADLO C[N@@H+]1CCN(C(=O)[C@H](O)C2CCOCC2)[C@@H](CO)C1 ZINC000912744292 656267352 /nfs/dbraw/zinc/26/73/52/656267352.db2.gz SSRGFRYOZDQMRU-VXGBXAGGSA-N 1 2 272.345 -1.091 20 0 CAADLO C[N@H+]1CCN(C(=O)[C@H](O)C2CCOCC2)[C@@H](CO)C1 ZINC000912744292 656267354 /nfs/dbraw/zinc/26/73/54/656267354.db2.gz SSRGFRYOZDQMRU-VXGBXAGGSA-N 1 2 272.345 -1.091 20 0 CAADLO C[N@@H+]1CCN(C(=O)[C@@H]2CC[C@H](C(N)=O)O2)[C@@H](CO)C1 ZINC000912751595 656267579 /nfs/dbraw/zinc/26/75/79/656267579.db2.gz LHQMTSJDUXWSAO-BBBLOLIVSA-N 1 2 271.317 -1.846 20 0 CAADLO C[N@H+]1CCN(C(=O)[C@@H]2CC[C@H](C(N)=O)O2)[C@@H](CO)C1 ZINC000912751595 656267583 /nfs/dbraw/zinc/26/75/83/656267583.db2.gz LHQMTSJDUXWSAO-BBBLOLIVSA-N 1 2 271.317 -1.846 20 0 CAADLO C[N@@H+]1CCN(C(=O)c2cc(=O)[nH]cn2)[C@@H](CO)C1 ZINC000912751292 656267938 /nfs/dbraw/zinc/26/79/38/656267938.db2.gz CNXPWZMDAYEWCN-MRVPVSSYSA-N 1 2 252.274 -1.069 20 0 CAADLO C[N@H+]1CCN(C(=O)c2cc(=O)[nH]cn2)[C@@H](CO)C1 ZINC000912751292 656267944 /nfs/dbraw/zinc/26/79/44/656267944.db2.gz CNXPWZMDAYEWCN-MRVPVSSYSA-N 1 2 252.274 -1.069 20 0 CAADLO C[N@@H+]1CCN(C(=O)[C@@H]2CC[C@H](C(N)=O)O2)[C@H](CO)C1 ZINC000912751594 656267958 /nfs/dbraw/zinc/26/79/58/656267958.db2.gz LHQMTSJDUXWSAO-AEJSXWLSSA-N 1 2 271.317 -1.846 20 0 CAADLO C[N@H+]1CCN(C(=O)[C@@H]2CC[C@H](C(N)=O)O2)[C@H](CO)C1 ZINC000912751594 656267963 /nfs/dbraw/zinc/26/79/63/656267963.db2.gz LHQMTSJDUXWSAO-AEJSXWLSSA-N 1 2 271.317 -1.846 20 0 CAADLO C[C@@H]1C(=O)N(NC(=O)[C@]2(C)C[C@H](O)C[N@@H+]2C)C(=O)N1C ZINC000912817632 656268556 /nfs/dbraw/zinc/26/85/56/656268556.db2.gz ZESNAUOZIKQOOR-LWINAJNOSA-N 1 2 284.316 -1.245 20 0 CAADLO C[C@@H]1C(=O)N(NC(=O)[C@]2(C)C[C@H](O)C[N@H+]2C)C(=O)N1C ZINC000912817632 656268557 /nfs/dbraw/zinc/26/85/57/656268557.db2.gz ZESNAUOZIKQOOR-LWINAJNOSA-N 1 2 284.316 -1.245 20 0 CAADLO C[C@@H]1C(=O)N(NC(=O)[C@@]2(C)C[C@H](O)C[N@@H+]2C)C(=O)N1C ZINC000912817633 656268766 /nfs/dbraw/zinc/26/87/66/656268766.db2.gz ZESNAUOZIKQOOR-RGNHYFCHSA-N 1 2 284.316 -1.245 20 0 CAADLO C[C@@H]1C(=O)N(NC(=O)[C@@]2(C)C[C@H](O)C[N@H+]2C)C(=O)N1C ZINC000912817633 656268768 /nfs/dbraw/zinc/26/87/68/656268768.db2.gz ZESNAUOZIKQOOR-RGNHYFCHSA-N 1 2 284.316 -1.245 20 0 CAADLO O=C(NCC[N@@H+]1CCC2(C1)OCCO2)[C@]1(O)CCOC1 ZINC000912897152 656268795 /nfs/dbraw/zinc/26/87/95/656268795.db2.gz LJRGDIILKUJBKL-LBPRGKRZSA-N 1 2 286.328 -1.297 20 0 CAADLO O=C(NCC[N@H+]1CCC2(C1)OCCO2)[C@]1(O)CCOC1 ZINC000912897152 656268798 /nfs/dbraw/zinc/26/87/98/656268798.db2.gz LJRGDIILKUJBKL-LBPRGKRZSA-N 1 2 286.328 -1.297 20 0 CAADLO C[C@@H]1C(=O)N(NC(=O)[C@]2(C)C[C@@H](O)C[N@@H+]2C)C(=O)N1C ZINC000912817634 656268815 /nfs/dbraw/zinc/26/88/15/656268815.db2.gz ZESNAUOZIKQOOR-RWYTXXIDSA-N 1 2 284.316 -1.245 20 0 CAADLO C[C@@H]1C(=O)N(NC(=O)[C@]2(C)C[C@@H](O)C[N@H+]2C)C(=O)N1C ZINC000912817634 656268820 /nfs/dbraw/zinc/26/88/20/656268820.db2.gz ZESNAUOZIKQOOR-RWYTXXIDSA-N 1 2 284.316 -1.245 20 0 CAADLO O=C(NCC[N@@H+]1CCC2(C1)OCCO2)[C@H]1COC(=O)N1 ZINC000912896993 656268850 /nfs/dbraw/zinc/26/88/50/656268850.db2.gz IYYDHEZSNAEVDW-SECBINFHSA-N 1 2 285.300 -1.340 20 0 CAADLO O=C(NCC[N@H+]1CCC2(C1)OCCO2)[C@H]1COC(=O)N1 ZINC000912896993 656268854 /nfs/dbraw/zinc/26/88/54/656268854.db2.gz IYYDHEZSNAEVDW-SECBINFHSA-N 1 2 285.300 -1.340 20 0 CAADLO O=C(NCC[N@@H+]1CCC2(C1)OCCO2)[C@@H]1CC(=O)N1 ZINC000912897009 656268875 /nfs/dbraw/zinc/26/88/75/656268875.db2.gz JTGKLPNVJPEIPR-VIFPVBQESA-N 1 2 269.301 -1.560 20 0 CAADLO O=C(NCC[N@H+]1CCC2(C1)OCCO2)[C@@H]1CC(=O)N1 ZINC000912897009 656268878 /nfs/dbraw/zinc/26/88/78/656268878.db2.gz JTGKLPNVJPEIPR-VIFPVBQESA-N 1 2 269.301 -1.560 20 0 CAADLO O=C(Cn1cnnn1)NCC[N@@H+]1CCC2(C1)OCCO2 ZINC000912898358 656269314 /nfs/dbraw/zinc/26/93/14/656269314.db2.gz JYIPVRLMKDPFOC-UHFFFAOYSA-N 1 2 282.304 -1.762 20 0 CAADLO O=C(Cn1cnnn1)NCC[N@H+]1CCC2(C1)OCCO2 ZINC000912898358 656269318 /nfs/dbraw/zinc/26/93/18/656269318.db2.gz JYIPVRLMKDPFOC-UHFFFAOYSA-N 1 2 282.304 -1.762 20 0 CAADLO COC[C@](C)(O)C(=O)NCC[N@@H+]1CCC2(C1)OCCO2 ZINC000912897248 656269504 /nfs/dbraw/zinc/26/95/04/656269504.db2.gz WJSCBCHACUETLW-LBPRGKRZSA-N 1 2 288.344 -1.051 20 0 CAADLO COC[C@](C)(O)C(=O)NCC[N@H+]1CCC2(C1)OCCO2 ZINC000912897248 656269507 /nfs/dbraw/zinc/26/95/07/656269507.db2.gz WJSCBCHACUETLW-LBPRGKRZSA-N 1 2 288.344 -1.051 20 0 CAADLO CC[C@H](C(=O)N1CC(O)(C(N)=O)C1)[N@@H+]1CCO[C@@H](CC)C1 ZINC000913072508 656270432 /nfs/dbraw/zinc/27/04/32/656270432.db2.gz KCGPNQPTYWIODF-WDEREUQCSA-N 1 2 299.371 -1.066 20 0 CAADLO CC[C@H](C(=O)N1CC(O)(C(N)=O)C1)[N@H+]1CCO[C@@H](CC)C1 ZINC000913072508 656270434 /nfs/dbraw/zinc/27/04/34/656270434.db2.gz KCGPNQPTYWIODF-WDEREUQCSA-N 1 2 299.371 -1.066 20 0 CAADLO NC(=O)C1(O)CN(C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC000913072321 656270787 /nfs/dbraw/zinc/27/07/87/656270787.db2.gz GXZRVZAIXIDSRO-LLVKDONJSA-N 1 2 297.355 -1.312 20 0 CAADLO NC(=O)C1(O)CN(C(=O)[C@H]2COCC[N@H+]2C2CCCC2)C1 ZINC000913072321 656270789 /nfs/dbraw/zinc/27/07/89/656270789.db2.gz GXZRVZAIXIDSRO-LLVKDONJSA-N 1 2 297.355 -1.312 20 0 CAADLO CC[C@@H](C(=O)N1CC(O)(C(N)=O)C1)[N@@H+]1CCO[C@H](CC)C1 ZINC000913072506 656270816 /nfs/dbraw/zinc/27/08/16/656270816.db2.gz KCGPNQPTYWIODF-MNOVXSKESA-N 1 2 299.371 -1.066 20 0 CAADLO CC[C@@H](C(=O)N1CC(O)(C(N)=O)C1)[N@H+]1CCO[C@H](CC)C1 ZINC000913072506 656270820 /nfs/dbraw/zinc/27/08/20/656270820.db2.gz KCGPNQPTYWIODF-MNOVXSKESA-N 1 2 299.371 -1.066 20 0 CAADLO C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)NC[C@]1(CO)COCCN1 ZINC000913177990 656272814 /nfs/dbraw/zinc/27/28/14/656272814.db2.gz BLUSYFMUOFBTKS-WXHSDQCUSA-N 1 2 287.360 -2.091 20 0 CAADLO C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)NC[C@]1(CO)COCCN1 ZINC000913177990 656272818 /nfs/dbraw/zinc/27/28/18/656272818.db2.gz BLUSYFMUOFBTKS-WXHSDQCUSA-N 1 2 287.360 -2.091 20 0 CAADLO C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)NC[C@]1(CO)COCCN1 ZINC000913177988 656273333 /nfs/dbraw/zinc/27/33/33/656273333.db2.gz BLUSYFMUOFBTKS-RTXFEEFZSA-N 1 2 287.360 -2.091 20 0 CAADLO C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)NC[C@]1(CO)COCCN1 ZINC000913177988 656273340 /nfs/dbraw/zinc/27/33/40/656273340.db2.gz BLUSYFMUOFBTKS-RTXFEEFZSA-N 1 2 287.360 -2.091 20 0 CAADLO Cc1cncn1CC(=O)NC[C@@]1(CO)COCC[NH2+]1 ZINC000913179780 656273991 /nfs/dbraw/zinc/27/39/91/656273991.db2.gz RYKBOIRIEPIXCA-GFCCVEGCSA-N 1 2 268.317 -1.341 20 0 CAADLO Cc1c[nH+]cn1CC(=O)NC[C@@]1(CO)COCCN1 ZINC000913179780 656273996 /nfs/dbraw/zinc/27/39/96/656273996.db2.gz RYKBOIRIEPIXCA-GFCCVEGCSA-N 1 2 268.317 -1.341 20 0 CAADLO Cc1cncn1CC(=O)NC[C@]1(CO)COCC[NH2+]1 ZINC000913179781 656274573 /nfs/dbraw/zinc/27/45/73/656274573.db2.gz RYKBOIRIEPIXCA-LBPRGKRZSA-N 1 2 268.317 -1.341 20 0 CAADLO Cc1c[nH+]cn1CC(=O)NC[C@]1(CO)COCCN1 ZINC000913179781 656274577 /nfs/dbraw/zinc/27/45/77/656274577.db2.gz RYKBOIRIEPIXCA-LBPRGKRZSA-N 1 2 268.317 -1.341 20 0 CAADLO C[NH+](C)C1(C(=O)N[C@@H]2CS(=O)(=O)C[C@H]2O)CCC1 ZINC000913367218 656282467 /nfs/dbraw/zinc/28/24/67/656282467.db2.gz DHFLYPNXBXIFIM-RKDXNWHRSA-N 1 2 276.358 -1.255 20 0 CAADLO Cn1cc([C@@H]2CN(C(=O)[C@@H]3CC(=O)N3)CC[NH2+]2)cn1 ZINC000913461197 656282584 /nfs/dbraw/zinc/28/25/84/656282584.db2.gz UUHVETLWMZJJKG-UWVGGRQHSA-N 1 2 263.301 -1.219 20 0 CAADLO COCC(=O)N(C)CC(=O)N1CC[NH2+][C@H](c2cn[nH]c2)C1 ZINC000913450020 656282654 /nfs/dbraw/zinc/28/26/54/656282654.db2.gz VMKHSUYNWOJTQQ-NSHDSACASA-N 1 2 295.343 -1.013 20 0 CAADLO CN1CCO[C@@H](C(=O)N2CC[NH2+][C@@H](c3cn[nH]c3)C2)C1=O ZINC000913456218 656282688 /nfs/dbraw/zinc/28/26/88/656282688.db2.gz NPDHOHSKQJTTDP-GHMZBOCLSA-N 1 2 293.327 -1.260 20 0 CAADLO CN(C[C@@H]1C[N@H+](C)CCO1)C(=O)CN1CCNC(=O)C1 ZINC000913507630 656283681 /nfs/dbraw/zinc/28/36/81/656283681.db2.gz RCOZQQBYKGMJKQ-NSHDSACASA-N 1 2 284.360 -1.793 20 0 CAADLO CN(C[C@@H]1C[N@@H+](C)CCO1)C(=O)CN1CCNC(=O)C1 ZINC000913507630 656283683 /nfs/dbraw/zinc/28/36/83/656283683.db2.gz RCOZQQBYKGMJKQ-NSHDSACASA-N 1 2 284.360 -1.793 20 0 CAADLO CN(C[C@@H]1C[N@H+](C)CCO1)C(=O)[C@@H]1OCCN(C)C1=O ZINC000913507340 656283722 /nfs/dbraw/zinc/28/37/22/656283722.db2.gz MXQUBLOKLYTKFN-WDEREUQCSA-N 1 2 285.344 -1.367 20 0 CAADLO CN(C[C@@H]1C[N@@H+](C)CCO1)C(=O)[C@@H]1OCCN(C)C1=O ZINC000913507340 656283725 /nfs/dbraw/zinc/28/37/25/656283725.db2.gz MXQUBLOKLYTKFN-WDEREUQCSA-N 1 2 285.344 -1.367 20 0 CAADLO CN1C[C@@H](C(=O)N2CC[N@H+](C)[C@H](CO)C2)CCC1=O ZINC000913541893 656283966 /nfs/dbraw/zinc/28/39/66/656283966.db2.gz XMVKVTQYXVFBFY-QWRGUYRKSA-N 1 2 269.345 -1.010 20 0 CAADLO CN1C[C@@H](C(=O)N2CC[N@@H+](C)[C@H](CO)C2)CCC1=O ZINC000913541893 656283971 /nfs/dbraw/zinc/28/39/71/656283971.db2.gz XMVKVTQYXVFBFY-QWRGUYRKSA-N 1 2 269.345 -1.010 20 0 CAADLO C[N@@H+]1CCN(C(=O)c2cccnc2C(N)=O)C[C@H]1CO ZINC000913546346 656284302 /nfs/dbraw/zinc/28/43/02/656284302.db2.gz NHDPHYRDXSPUIL-VIFPVBQESA-N 1 2 278.312 -1.071 20 0 CAADLO C[N@H+]1CCN(C(=O)c2cccnc2C(N)=O)C[C@H]1CO ZINC000913546346 656284307 /nfs/dbraw/zinc/28/43/07/656284307.db2.gz NHDPHYRDXSPUIL-VIFPVBQESA-N 1 2 278.312 -1.071 20 0 CAADLO C[N@@H+]1CCN(C(=O)C2=NN(CCO)C(=O)CC2)C[C@@H]1CO ZINC000913547759 656284392 /nfs/dbraw/zinc/28/43/92/656284392.db2.gz VNDVTRAAGBHLKC-SNVBAGLBSA-N 1 2 298.343 -1.908 20 0 CAADLO C[N@H+]1CCN(C(=O)C2=NN(CCO)C(=O)CC2)C[C@@H]1CO ZINC000913547759 656284396 /nfs/dbraw/zinc/28/43/96/656284396.db2.gz VNDVTRAAGBHLKC-SNVBAGLBSA-N 1 2 298.343 -1.908 20 0 CAADLO C[N@@H+]1CCN(C(=O)c2cccnc2C(N)=O)C[C@@H]1CO ZINC000913546345 656284569 /nfs/dbraw/zinc/28/45/69/656284569.db2.gz NHDPHYRDXSPUIL-SECBINFHSA-N 1 2 278.312 -1.071 20 0 CAADLO C[N@H+]1CCN(C(=O)c2cccnc2C(N)=O)C[C@@H]1CO ZINC000913546345 656284573 /nfs/dbraw/zinc/28/45/73/656284573.db2.gz NHDPHYRDXSPUIL-SECBINFHSA-N 1 2 278.312 -1.071 20 0 CAADLO C[N@@H+]1CCN(C(=O)[C@@H]2CCc3nnnn3CC2)C[C@@H]1CO ZINC000913541126 656284579 /nfs/dbraw/zinc/28/45/79/656284579.db2.gz FSVIFVLPUMNPLV-GHMZBOCLSA-N 1 2 294.359 -1.240 20 0 CAADLO C[N@H+]1CCN(C(=O)[C@@H]2CCc3nnnn3CC2)C[C@@H]1CO ZINC000913541126 656284586 /nfs/dbraw/zinc/28/45/86/656284586.db2.gz FSVIFVLPUMNPLV-GHMZBOCLSA-N 1 2 294.359 -1.240 20 0 CAADLO CN1C[C@H](C(=O)N2CC[N@H+](C)[C@@H](CO)C2)NC1=O ZINC000913541021 656284594 /nfs/dbraw/zinc/28/45/94/656284594.db2.gz DHONPBNZWBBMLA-RKDXNWHRSA-N 1 2 256.306 -1.855 20 0 CAADLO CN1C[C@H](C(=O)N2CC[N@@H+](C)[C@@H](CO)C2)NC1=O ZINC000913541021 656284596 /nfs/dbraw/zinc/28/45/96/656284596.db2.gz DHONPBNZWBBMLA-RKDXNWHRSA-N 1 2 256.306 -1.855 20 0 CAADLO C[N@@H+]1CCN(C(=O)[C@H]2CCc3nnnn3CC2)C[C@@H]1CO ZINC000913541129 656284977 /nfs/dbraw/zinc/28/49/77/656284977.db2.gz FSVIFVLPUMNPLV-WDEREUQCSA-N 1 2 294.359 -1.240 20 0 CAADLO C[N@H+]1CCN(C(=O)[C@H]2CCc3nnnn3CC2)C[C@@H]1CO ZINC000913541129 656284983 /nfs/dbraw/zinc/28/49/83/656284983.db2.gz FSVIFVLPUMNPLV-WDEREUQCSA-N 1 2 294.359 -1.240 20 0 CAADLO C[N@@H+]1CCN(C(=O)[C@H]2CCNC(=O)C2)C[C@@H]1CO ZINC000913547548 656285107 /nfs/dbraw/zinc/28/51/07/656285107.db2.gz RBYRZQFYFBNMFC-VHSXEESVSA-N 1 2 255.318 -1.353 20 0 CAADLO C[N@H+]1CCN(C(=O)[C@H]2CCNC(=O)C2)C[C@@H]1CO ZINC000913547548 656285109 /nfs/dbraw/zinc/28/51/09/656285109.db2.gz RBYRZQFYFBNMFC-VHSXEESVSA-N 1 2 255.318 -1.353 20 0 CAADLO C[N@@H+]1CCN(C(=O)c2cccc(C(N)=O)n2)C[C@@H]1CO ZINC000913546413 656285121 /nfs/dbraw/zinc/28/51/21/656285121.db2.gz PCBSMXZFHFRBAC-SECBINFHSA-N 1 2 278.312 -1.071 20 0 CAADLO C[N@H+]1CCN(C(=O)c2cccc(C(N)=O)n2)C[C@@H]1CO ZINC000913546413 656285123 /nfs/dbraw/zinc/28/51/23/656285123.db2.gz PCBSMXZFHFRBAC-SECBINFHSA-N 1 2 278.312 -1.071 20 0 CAADLO CN(C)C(=O)[C@@H]1CC[C@H](C(=O)N2CC[N@H+](C)[C@H](CO)C2)O1 ZINC000913539821 656285252 /nfs/dbraw/zinc/28/52/52/656285252.db2.gz INIRVMUNAFYPRJ-SDDRHHMPSA-N 1 2 299.371 -1.243 20 0 CAADLO CN(C)C(=O)[C@@H]1CC[C@H](C(=O)N2CC[N@@H+](C)[C@H](CO)C2)O1 ZINC000913539821 656285255 /nfs/dbraw/zinc/28/52/55/656285255.db2.gz INIRVMUNAFYPRJ-SDDRHHMPSA-N 1 2 299.371 -1.243 20 0 CAADLO CN1CC[C@@H](C(=O)N2CC[N@H+](C)[C@@H](CO)C2)CC1=O ZINC000913553244 656285865 /nfs/dbraw/zinc/28/58/65/656285865.db2.gz DUXNANDLNWMJOA-GHMZBOCLSA-N 1 2 269.345 -1.010 20 0 CAADLO CN1CC[C@@H](C(=O)N2CC[N@@H+](C)[C@@H](CO)C2)CC1=O ZINC000913553244 656285873 /nfs/dbraw/zinc/28/58/73/656285873.db2.gz DUXNANDLNWMJOA-GHMZBOCLSA-N 1 2 269.345 -1.010 20 0 CAADLO C[N@@H+]1CCN(C(=O)[C@@H]2CCCN2C=O)C[C@H]1CO ZINC000913543018 656285946 /nfs/dbraw/zinc/28/59/46/656285946.db2.gz XJHDQTCFWHUBDO-QWRGUYRKSA-N 1 2 255.318 -1.258 20 0 CAADLO C[N@H+]1CCN(C(=O)[C@@H]2CCCN2C=O)C[C@H]1CO ZINC000913543018 656285950 /nfs/dbraw/zinc/28/59/50/656285950.db2.gz XJHDQTCFWHUBDO-QWRGUYRKSA-N 1 2 255.318 -1.258 20 0 CAADLO C[N@@H+]1CCN(C(=O)C(=O)NCC2CC2)C[C@@H]1CO ZINC000913544535 656285957 /nfs/dbraw/zinc/28/59/57/656285957.db2.gz HKIWFTVWIQHYJA-SNVBAGLBSA-N 1 2 255.318 -1.353 20 0 CAADLO C[N@H+]1CCN(C(=O)C(=O)NCC2CC2)C[C@@H]1CO ZINC000913544535 656285962 /nfs/dbraw/zinc/28/59/62/656285962.db2.gz HKIWFTVWIQHYJA-SNVBAGLBSA-N 1 2 255.318 -1.353 20 0 CAADLO C[C@@H]1OC(=O)N[C@H]1C(=O)N1CC[N@H+](C)[C@@H](CO)C1 ZINC000913544767 656285983 /nfs/dbraw/zinc/28/59/83/656285983.db2.gz LWVAPEYELUJFEA-DJLDLDEBSA-N 1 2 257.290 -1.382 20 0 CAADLO C[C@@H]1OC(=O)N[C@H]1C(=O)N1CC[N@@H+](C)[C@@H](CO)C1 ZINC000913544767 656285985 /nfs/dbraw/zinc/28/59/85/656285985.db2.gz LWVAPEYELUJFEA-DJLDLDEBSA-N 1 2 257.290 -1.382 20 0 CAADLO CN1CC[C@H](C(=O)N2CC[N@H+](C)[C@@H](CO)C2)CC1=O ZINC000913553365 656285995 /nfs/dbraw/zinc/28/59/95/656285995.db2.gz DUXNANDLNWMJOA-WDEREUQCSA-N 1 2 269.345 -1.010 20 0 CAADLO CN1CC[C@H](C(=O)N2CC[N@@H+](C)[C@@H](CO)C2)CC1=O ZINC000913553365 656285999 /nfs/dbraw/zinc/28/59/99/656285999.db2.gz DUXNANDLNWMJOA-WDEREUQCSA-N 1 2 269.345 -1.010 20 0 CAADLO C[N@@H+]1CCN(C(=O)C2(O)CCOCC2)C[C@H]1CO ZINC000913544246 656286298 /nfs/dbraw/zinc/28/62/98/656286298.db2.gz ABCMKLDLIKNPAV-JTQLQIEISA-N 1 2 258.318 -1.337 20 0 CAADLO C[N@H+]1CCN(C(=O)C2(O)CCOCC2)C[C@H]1CO ZINC000913544246 656286301 /nfs/dbraw/zinc/28/63/01/656286301.db2.gz ABCMKLDLIKNPAV-JTQLQIEISA-N 1 2 258.318 -1.337 20 0 CAADLO C[N@@H+]1CCN(C(=O)[C@H]2CCc3nncn3C2)C[C@@H]1CO ZINC000913542190 656286310 /nfs/dbraw/zinc/28/63/10/656286310.db2.gz FCFAMQPXKPSEDP-WDEREUQCSA-N 1 2 279.344 -1.025 20 0 CAADLO C[N@H+]1CCN(C(=O)[C@H]2CCc3nncn3C2)C[C@@H]1CO ZINC000913542190 656286319 /nfs/dbraw/zinc/28/63/19/656286319.db2.gz FCFAMQPXKPSEDP-WDEREUQCSA-N 1 2 279.344 -1.025 20 0 CAADLO CN(C)C(=O)C1(C(=O)N2CC[N@H+](C)[C@H](CO)C2)CC1 ZINC000913544289 656286335 /nfs/dbraw/zinc/28/63/35/656286335.db2.gz AXYNFAUSSPIUOM-JTQLQIEISA-N 1 2 269.345 -1.010 20 0 CAADLO CN(C)C(=O)C1(C(=O)N2CC[N@@H+](C)[C@H](CO)C2)CC1 ZINC000913544289 656286339 /nfs/dbraw/zinc/28/63/39/656286339.db2.gz AXYNFAUSSPIUOM-JTQLQIEISA-N 1 2 269.345 -1.010 20 0 CAADLO C[N@@H+]1CCN(C(=O)[C@@H]2CC[C@@H]2C(N)=O)C[C@H]1CO ZINC000913542581 656286355 /nfs/dbraw/zinc/28/63/55/656286355.db2.gz NBVXASWNIGHBLS-LPEHRKFASA-N 1 2 255.318 -1.367 20 0 CAADLO C[N@H+]1CCN(C(=O)[C@@H]2CC[C@@H]2C(N)=O)C[C@H]1CO ZINC000913542581 656286361 /nfs/dbraw/zinc/28/63/61/656286361.db2.gz NBVXASWNIGHBLS-LPEHRKFASA-N 1 2 255.318 -1.367 20 0 CAADLO CC(C)C(=O)N[C@@H](CO)C(=O)N1CC[N@H+](C)[C@H](CO)C1 ZINC000913542942 656286370 /nfs/dbraw/zinc/28/63/70/656286370.db2.gz WDQSTWVDEJWARJ-QWRGUYRKSA-N 1 2 287.360 -1.746 20 0 CAADLO CC(C)C(=O)N[C@@H](CO)C(=O)N1CC[N@@H+](C)[C@H](CO)C1 ZINC000913542942 656286374 /nfs/dbraw/zinc/28/63/74/656286374.db2.gz WDQSTWVDEJWARJ-QWRGUYRKSA-N 1 2 287.360 -1.746 20 0 CAADLO CC(=O)N1CCC[C@](O)(C(=O)N2CC[N@@H+](C)[C@@H](CO)C2)C1 ZINC000913543592 656286405 /nfs/dbraw/zinc/28/64/05/656286405.db2.gz LPKMNDFEENVJMP-TZMCWYRMSA-N 1 2 299.371 -1.505 20 0 CAADLO CC(=O)N1CCC[C@](O)(C(=O)N2CC[N@H+](C)[C@@H](CO)C2)C1 ZINC000913543592 656286407 /nfs/dbraw/zinc/28/64/07/656286407.db2.gz LPKMNDFEENVJMP-TZMCWYRMSA-N 1 2 299.371 -1.505 20 0 CAADLO C[N@@H+]1CCN(C(=O)[C@H]2CCCN2C=O)C[C@H]1CO ZINC000913543019 656286507 /nfs/dbraw/zinc/28/65/07/656286507.db2.gz XJHDQTCFWHUBDO-WDEREUQCSA-N 1 2 255.318 -1.258 20 0 CAADLO C[N@H+]1CCN(C(=O)[C@H]2CCCN2C=O)C[C@H]1CO ZINC000913543019 656286512 /nfs/dbraw/zinc/28/65/12/656286512.db2.gz XJHDQTCFWHUBDO-WDEREUQCSA-N 1 2 255.318 -1.258 20 0 CAADLO CC(=O)N1CCC[C@@](O)(C(=O)N2CC[N@@H+](C)[C@@H](CO)C2)C1 ZINC000913543591 656286665 /nfs/dbraw/zinc/28/66/65/656286665.db2.gz LPKMNDFEENVJMP-OCCSQVGLSA-N 1 2 299.371 -1.505 20 0 CAADLO CC(=O)N1CCC[C@@](O)(C(=O)N2CC[N@H+](C)[C@@H](CO)C2)C1 ZINC000913543591 656286668 /nfs/dbraw/zinc/28/66/68/656286668.db2.gz LPKMNDFEENVJMP-OCCSQVGLSA-N 1 2 299.371 -1.505 20 0 CAADLO Cn1cc([C@H](O)C(=O)N2CC[N@H+](C)[C@H](CO)C2)cn1 ZINC000913543496 656286681 /nfs/dbraw/zinc/28/66/81/656286681.db2.gz JLURASPPIPDCCC-QWRGUYRKSA-N 1 2 268.317 -1.412 20 0 CAADLO Cn1cc([C@H](O)C(=O)N2CC[N@@H+](C)[C@H](CO)C2)cn1 ZINC000913543496 656286684 /nfs/dbraw/zinc/28/66/84/656286684.db2.gz JLURASPPIPDCCC-QWRGUYRKSA-N 1 2 268.317 -1.412 20 0 CAADLO C[C@H](NS(C)(=O)=O)C(=O)N1CC[N@H+](C)[C@H](CO)C1 ZINC000913548728 656286808 /nfs/dbraw/zinc/28/68/08/656286808.db2.gz RRSZPGSDRHLXPY-IUCAKERBSA-N 1 2 279.362 -1.941 20 0 CAADLO C[C@H](NS(C)(=O)=O)C(=O)N1CC[N@@H+](C)[C@H](CO)C1 ZINC000913548728 656286812 /nfs/dbraw/zinc/28/68/12/656286812.db2.gz RRSZPGSDRHLXPY-IUCAKERBSA-N 1 2 279.362 -1.941 20 0 CAADLO C[N@@H+]1CCN(C(=O)c2ccc(C(N)=O)cn2)C[C@@H]1CO ZINC000913550791 656286831 /nfs/dbraw/zinc/28/68/31/656286831.db2.gz BRMBSAVBTFNHRJ-SNVBAGLBSA-N 1 2 278.312 -1.071 20 0 CAADLO C[N@H+]1CCN(C(=O)c2ccc(C(N)=O)cn2)C[C@@H]1CO ZINC000913550791 656286837 /nfs/dbraw/zinc/28/68/37/656286837.db2.gz BRMBSAVBTFNHRJ-SNVBAGLBSA-N 1 2 278.312 -1.071 20 0 CAADLO C[N@@H+]1CCN(C(=O)[C@H](O)C2CCOCC2)C[C@H]1CO ZINC000913548071 656287155 /nfs/dbraw/zinc/28/71/55/656287155.db2.gz CCWVEOBPVVLCSF-NWDGAFQWSA-N 1 2 272.345 -1.091 20 0 CAADLO C[N@H+]1CCN(C(=O)[C@H](O)C2CCOCC2)C[C@H]1CO ZINC000913548071 656287159 /nfs/dbraw/zinc/28/71/59/656287159.db2.gz CCWVEOBPVVLCSF-NWDGAFQWSA-N 1 2 272.345 -1.091 20 0 CAADLO Cc1c(C(=O)N2CC[N@H+](C)[C@@H](CO)C2)nnn1C ZINC000913549996 656287207 /nfs/dbraw/zinc/28/72/07/656287207.db2.gz KTUWBDHSDVTSMD-SECBINFHSA-N 1 2 253.306 -1.128 20 0 CAADLO Cc1c(C(=O)N2CC[N@@H+](C)[C@@H](CO)C2)nnn1C ZINC000913549996 656287208 /nfs/dbraw/zinc/28/72/08/656287208.db2.gz KTUWBDHSDVTSMD-SECBINFHSA-N 1 2 253.306 -1.128 20 0 CAADLO COC(=O)[C@@H]1C[C@H]1C(=O)N1CC[N@H+](C)[C@H](CO)C1 ZINC000913550972 656287444 /nfs/dbraw/zinc/28/74/44/656287444.db2.gz GGZRPWJGVUREBC-IVZWLZJFSA-N 1 2 256.302 -1.070 20 0 CAADLO COC(=O)[C@@H]1C[C@H]1C(=O)N1CC[N@@H+](C)[C@H](CO)C1 ZINC000913550972 656287447 /nfs/dbraw/zinc/28/74/47/656287447.db2.gz GGZRPWJGVUREBC-IVZWLZJFSA-N 1 2 256.302 -1.070 20 0 CAADLO Cc1c(C(=O)N2CC[N@H+](C)[C@H](CO)C2)nnn1C ZINC000913549997 656287525 /nfs/dbraw/zinc/28/75/25/656287525.db2.gz KTUWBDHSDVTSMD-VIFPVBQESA-N 1 2 253.306 -1.128 20 0 CAADLO Cc1c(C(=O)N2CC[N@@H+](C)[C@H](CO)C2)nnn1C ZINC000913549997 656287528 /nfs/dbraw/zinc/28/75/28/656287528.db2.gz KTUWBDHSDVTSMD-VIFPVBQESA-N 1 2 253.306 -1.128 20 0 CAADLO CN1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1CO ZINC000913550474 656287555 /nfs/dbraw/zinc/28/75/55/656287555.db2.gz VHRSZSLMOZZXMX-QWRGUYRKSA-N 1 2 257.334 -1.548 20 0 CAADLO CN1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1CO ZINC000913550474 656287559 /nfs/dbraw/zinc/28/75/59/656287559.db2.gz VHRSZSLMOZZXMX-QWRGUYRKSA-N 1 2 257.334 -1.548 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCC(=O)N2)C1 ZINC001030029894 656287614 /nfs/dbraw/zinc/28/76/14/656287614.db2.gz MRQSSZZXCDNQDH-KXUCPTDWSA-N 1 2 282.344 -1.281 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CCC[C@H](NC(=O)[C@H]2CCC(=O)N2)C1 ZINC001030029894 656287617 /nfs/dbraw/zinc/28/76/17/656287617.db2.gz MRQSSZZXCDNQDH-KXUCPTDWSA-N 1 2 282.344 -1.281 20 0 CAADLO C[C@@H]1[C@H](NC(=O)C(N)=O)CCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001011832371 656288768 /nfs/dbraw/zinc/28/87/68/656288768.db2.gz GOQFEIFMHLRKOD-PSASIEDQSA-N 1 2 293.327 -1.067 20 0 CAADLO C[C@@H]1[C@H](NC(=O)C(N)=O)CCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001011832371 656288770 /nfs/dbraw/zinc/28/87/70/656288770.db2.gz GOQFEIFMHLRKOD-PSASIEDQSA-N 1 2 293.327 -1.067 20 0 CAADLO CC(=O)NC1C[NH+](CCCN2C(=O)CNC2=O)C1 ZINC001030037163 656289431 /nfs/dbraw/zinc/28/94/31/656289431.db2.gz NXYSITQGSBJFMF-UHFFFAOYSA-N 1 2 254.290 -1.251 20 0 CAADLO NC(=O)C(=O)N1CC[C@H](NC(=O)Cn2cc[nH+]c2)[C@H](O)C1 ZINC000991560876 656290022 /nfs/dbraw/zinc/29/00/22/656290022.db2.gz BZOFBQRHCXVQFD-DTWKUNHWSA-N 1 2 295.299 -2.554 20 0 CAADLO COCC(=O)N1CC[C@H](NC(=O)Cn2cc[nH+]c2)[C@@H](O)C1 ZINC000991555364 656290038 /nfs/dbraw/zinc/29/00/38/656290038.db2.gz DAZFMEZHMBDCFR-QWRGUYRKSA-N 1 2 296.327 -1.393 20 0 CAADLO COCC(=O)N1CC[C@H](NC(=O)Cn2cc[nH+]c2)[C@H](O)C1 ZINC000991555365 656290205 /nfs/dbraw/zinc/29/02/05/656290205.db2.gz DAZFMEZHMBDCFR-WDEREUQCSA-N 1 2 296.327 -1.393 20 0 CAADLO Cn1nccc1CC[NH+]1CC(NC(=O)Cn2cnnn2)C1 ZINC001030085301 656290530 /nfs/dbraw/zinc/29/05/30/656290530.db2.gz KXSIGRJBAQEDST-UHFFFAOYSA-N 1 2 290.331 -1.550 20 0 CAADLO COC[C@@H](C)[NH+]1CC(NC(=O)Cn2cnnn2)C1 ZINC001030086228 656290904 /nfs/dbraw/zinc/29/09/04/656290904.db2.gz VMQUUMOQVFFAKS-MRVPVSSYSA-N 1 2 254.294 -1.492 20 0 CAADLO Cn1c[nH+]cc1CN1CC(NC(=O)Cn2cnnn2)C1 ZINC001030091127 656291190 /nfs/dbraw/zinc/29/11/90/656291190.db2.gz RTXPTGTWYNASJY-UHFFFAOYSA-N 1 2 276.304 -1.593 20 0 CAADLO CC(=O)N1CC[C@H](NC(=O)Cn2cc[nH+]c2)[C@H](O)C1 ZINC000991573283 656291865 /nfs/dbraw/zinc/29/18/65/656291865.db2.gz OLIGYHMXMQVXKM-WDEREUQCSA-N 1 2 266.301 -1.019 20 0 CAADLO O=C(CN1CCCC1=O)NC1C[NH+](CCCO)C1 ZINC001030090237 656292110 /nfs/dbraw/zinc/29/21/10/656292110.db2.gz RHALTAXNKAKYBM-UHFFFAOYSA-N 1 2 255.318 -1.208 20 0 CAADLO CC(=O)N1CC[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H](O)C1 ZINC000991573278 656292180 /nfs/dbraw/zinc/29/21/80/656292180.db2.gz OLIGYHMXMQVXKM-MNOVXSKESA-N 1 2 266.301 -1.019 20 0 CAADLO COC(=O)[C@@H]1C[C@@H]1C(=O)NC1C[NH+](CCCO)C1 ZINC001030150741 656293609 /nfs/dbraw/zinc/29/36/09/656293609.db2.gz CYANMTYWSOHEIV-VHSXEESVSA-N 1 2 256.302 -1.022 20 0 CAADLO Cn1c[nH+]cc1CN1CC(NC(=O)[C@H]2CCC(=O)N2)C1 ZINC001030153963 656294356 /nfs/dbraw/zinc/29/43/56/656294356.db2.gz AJOSERKHQPEEJA-LLVKDONJSA-N 1 2 277.328 -1.001 20 0 CAADLO O=C(NC1C[NH+](CCn2cccn2)C1)[C@H]1CCC(=O)N1 ZINC001030156313 656294925 /nfs/dbraw/zinc/29/49/25/656294925.db2.gz DVTLGVRALPSEDX-LLVKDONJSA-N 1 2 277.328 -1.038 20 0 CAADLO Nc1nccnc1C(=O)NC1C[NH+](CCCO)C1 ZINC001030169564 656296102 /nfs/dbraw/zinc/29/61/02/656296102.db2.gz UGDLUBMFBFRYPJ-UHFFFAOYSA-N 1 2 251.290 -1.145 20 0 CAADLO C[C@H](O)CN1CC(NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001030183702 656296242 /nfs/dbraw/zinc/29/62/42/656296242.db2.gz UKCBVWHUQDAAHQ-ONGXEEELSA-N 1 2 257.334 -1.502 20 0 CAADLO C[C@H](O)CN1CC(NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001030183702 656296245 /nfs/dbraw/zinc/29/62/45/656296245.db2.gz UKCBVWHUQDAAHQ-ONGXEEELSA-N 1 2 257.334 -1.502 20 0 CAADLO Cc1c(C(=O)NC2C[NH+](CCCO)C2)nnn1C ZINC001030176178 656296759 /nfs/dbraw/zinc/29/67/59/656296759.db2.gz DMBLXTSBRASWKX-UHFFFAOYSA-N 1 2 253.306 -1.080 20 0 CAADLO Cc1c(C(=O)NC2C[NH+](C[C@@H](C)O)C2)nnn1C ZINC001030177815 656296774 /nfs/dbraw/zinc/29/67/74/656296774.db2.gz VZALYPMUVDARRX-SSDOTTSWSA-N 1 2 253.306 -1.082 20 0 CAADLO C[C@@H](O)CN1CC(NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001030183699 656296945 /nfs/dbraw/zinc/29/69/45/656296945.db2.gz UKCBVWHUQDAAHQ-MWLCHTKSSA-N 1 2 257.334 -1.502 20 0 CAADLO C[C@@H](O)CN1CC(NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001030183699 656296949 /nfs/dbraw/zinc/29/69/49/656296949.db2.gz UKCBVWHUQDAAHQ-MWLCHTKSSA-N 1 2 257.334 -1.502 20 0 CAADLO C[C@H](O)CN1CC(NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001030183687 656297081 /nfs/dbraw/zinc/29/70/81/656297081.db2.gz UKCBVWHUQDAAHQ-GXSJLCMTSA-N 1 2 257.334 -1.502 20 0 CAADLO C[C@H](O)CN1CC(NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001030183687 656297085 /nfs/dbraw/zinc/29/70/85/656297085.db2.gz UKCBVWHUQDAAHQ-GXSJLCMTSA-N 1 2 257.334 -1.502 20 0 CAADLO CN1CCOC[C@@H]1C(=O)NC1C[NH+](CCCO)C1 ZINC001030234228 656298394 /nfs/dbraw/zinc/29/83/94/656298394.db2.gz UEQGYPAXWWZFCX-LLVKDONJSA-N 1 2 257.334 -1.500 20 0 CAADLO C[C@@H](O)C[NH+]1CC(NC(=O)[C@@H]2COCCN2C)C1 ZINC001030234898 656298866 /nfs/dbraw/zinc/29/88/66/656298866.db2.gz GCJBXLXUQYCHTG-KOLCDFICSA-N 1 2 257.334 -1.502 20 0 CAADLO COC[C@@H](C)[NH+]1CC(NC(=O)CN2CN=NC2=O)C1 ZINC001030238576 656299733 /nfs/dbraw/zinc/29/97/33/656299733.db2.gz IPRIKZQEUBFRNY-MRVPVSSYSA-N 1 2 269.305 -1.181 20 0 CAADLO Cn1ncc(C(=O)NC2C[NH+](CCCO)C2)c1N ZINC001030240219 656299775 /nfs/dbraw/zinc/29/97/75/656299775.db2.gz OUUGOACNZCWYPP-UHFFFAOYSA-N 1 2 253.306 -1.201 20 0 CAADLO O=C(CN1CN=NC1=O)NC1C[NH+](CCCO)C1 ZINC001030238442 656299899 /nfs/dbraw/zinc/29/98/99/656299899.db2.gz FKFDHKAMACKASH-UHFFFAOYSA-N 1 2 255.278 -1.834 20 0 CAADLO C[C@@H](O)C[NH+]1CC(NC(=O)c2cc(=O)n(C)o2)C1 ZINC001030256566 656300417 /nfs/dbraw/zinc/30/04/17/656300417.db2.gz ONYPQNPRYDCTFF-SSDOTTSWSA-N 1 2 255.274 -1.227 20 0 CAADLO O=C(NC1C[NH+](CCn2cccn2)C1)[C@@H]1COC(=O)N1 ZINC001030262175 656300666 /nfs/dbraw/zinc/30/06/66/656300666.db2.gz IWHHKRFUCFMMMT-JTQLQIEISA-N 1 2 279.300 -1.208 20 0 CAADLO CO[C@H](C)C[NH+]1CC(NC(=O)[C@@H]2COC(=O)N2)C1 ZINC001030266959 656300674 /nfs/dbraw/zinc/30/06/74/656300674.db2.gz DPFVWSMJJMVUAL-APPZFPTMSA-N 1 2 257.290 -1.070 20 0 CAADLO Cn1nccc1CC[NH+]1CC(NC(=O)[C@H]2COC(=O)N2)C1 ZINC001030266857 656300746 /nfs/dbraw/zinc/30/07/46/656300746.db2.gz BZZPMFGYEMTKIE-LLVKDONJSA-N 1 2 293.327 -1.129 20 0 CAADLO Cn1cc(CC[NH+]2CC(NC(=O)[C@H]3COC(=O)N3)C2)cn1 ZINC001030267821 656301357 /nfs/dbraw/zinc/30/13/57/656301357.db2.gz QYWHOMWJERXWEH-LLVKDONJSA-N 1 2 293.327 -1.129 20 0 CAADLO CO[C@H](C)C[NH+]1CC(NC(=O)Cn2ncnn2)C1 ZINC001030319795 656303900 /nfs/dbraw/zinc/30/39/00/656303900.db2.gz VDOWJVPQPDRPJS-MRVPVSSYSA-N 1 2 254.294 -1.492 20 0 CAADLO Cn1nccc1CC[NH+]1CC(NC(=O)Cn2ncnn2)C1 ZINC001030319620 656303939 /nfs/dbraw/zinc/30/39/39/656303939.db2.gz MKWUZSXIHDKTDI-UHFFFAOYSA-N 1 2 290.331 -1.550 20 0 CAADLO COCC[NH+]1CC(NC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001030338999 656304404 /nfs/dbraw/zinc/30/44/04/656304404.db2.gz DVDPCDWBTSXBBN-UHFFFAOYSA-N 1 2 282.304 -2.176 20 0 CAADLO COC[C@H](C)[NH+]1CC(NC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001030339294 656304419 /nfs/dbraw/zinc/30/44/19/656304419.db2.gz NJYMYXUXOYASDU-QMMMGPOBSA-N 1 2 296.331 -1.788 20 0 CAADLO C[C@@H](O)C[NH+]1CC(NC(=O)CN2C(=O)CC(C)(C)C2=O)C1 ZINC001030318718 656304487 /nfs/dbraw/zinc/30/44/87/656304487.db2.gz PLONCPOBNIHOMT-SECBINFHSA-N 1 2 297.355 -1.047 20 0 CAADLO COC[C@@H](C)[NH+]1CC(NC(=O)Cn2ncnn2)C1 ZINC001030319070 656304531 /nfs/dbraw/zinc/30/45/31/656304531.db2.gz ATGQPSJLCBKUIX-MRVPVSSYSA-N 1 2 254.294 -1.492 20 0 CAADLO C[C@H]1CC(=O)N[C@@H](C(=O)NC2C[NH+](CCO)C2)C1 ZINC001030327817 656304622 /nfs/dbraw/zinc/30/46/22/656304622.db2.gz JVWFYBMBUNWFDI-PSASIEDQSA-N 1 2 255.318 -1.306 20 0 CAADLO C[C@H]1[C@H](NC(=O)C(N)=O)CCN1C(=O)Cc1c[nH+]cn1C ZINC001011913812 656304920 /nfs/dbraw/zinc/30/49/20/656304920.db2.gz FNULZUUZBWPKAX-WCBMZHEXSA-N 1 2 293.327 -1.447 20 0 CAADLO C[C@H](O)C[NH+]1CC(NC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001030340510 656305003 /nfs/dbraw/zinc/30/50/03/656305003.db2.gz ZPOGXOZFTYWKFQ-ZETCQYMHSA-N 1 2 282.304 -2.442 20 0 CAADLO C[C@@H]1[C@H](NC(=O)C(N)=O)CCN1C(=O)Cc1c[nH+]cn1C ZINC001011913811 656305027 /nfs/dbraw/zinc/30/50/27/656305027.db2.gz FNULZUUZBWPKAX-PSASIEDQSA-N 1 2 293.327 -1.447 20 0 CAADLO CC(C)(C)n1nnc(CC(=O)NC2C[NH+](CCO)C2)n1 ZINC001030364414 656305618 /nfs/dbraw/zinc/30/56/18/656305618.db2.gz ZZFBCUMLHKQJNO-UHFFFAOYSA-N 1 2 282.348 -1.237 20 0 CAADLO C[C@@H](O)C[NH+]1CC(NC(=O)c2cccn3nnnc23)C1 ZINC001030371048 656305721 /nfs/dbraw/zinc/30/57/21/656305721.db2.gz ILHMNLFSBRQKHN-MRVPVSSYSA-N 1 2 276.300 -1.081 20 0 CAADLO COCCN1C[C@H](C(=O)NC2C[NH+](C[C@H](C)O)C2)CC1=O ZINC001030394226 656306718 /nfs/dbraw/zinc/30/67/18/656306718.db2.gz XFNPBENSKFLEHR-WDEREUQCSA-N 1 2 299.371 -1.338 20 0 CAADLO COCC[NH+]1CC(NC(=O)[C@@H]2CC(=O)N(C)C2)C1 ZINC001030391336 656306725 /nfs/dbraw/zinc/30/67/25/656306725.db2.gz ZJVQOLCHEJWMNO-SECBINFHSA-N 1 2 255.318 -1.089 20 0 CAADLO C[C@@H](O)C[NH+]1CC(NC(=O)[C@H]2CC(=O)N(C)C2)C1 ZINC001030390458 656307016 /nfs/dbraw/zinc/30/70/16/656307016.db2.gz KCAFVZCLPMHDIJ-BDAKNGLRSA-N 1 2 255.318 -1.354 20 0 CAADLO C[C@H](C(=O)NC1C[NH+](CCCO)C1)N1C(=O)CCC1=O ZINC001030397873 656307310 /nfs/dbraw/zinc/30/73/10/656307310.db2.gz QDALBLDYTCRPQW-SECBINFHSA-N 1 2 283.328 -1.293 20 0 CAADLO C[C@H](O)C[NH+]1CC(NC(=O)Cn2ccc(=O)n(C)c2=O)C1 ZINC001030398222 656307498 /nfs/dbraw/zinc/30/74/98/656307498.db2.gz BDRRAZHZVHEKAF-VIFPVBQESA-N 1 2 296.327 -2.272 20 0 CAADLO CN1C[C@@H](C(=O)NC2C[NH+](CCCO)C2)CC1=O ZINC001030393372 656307513 /nfs/dbraw/zinc/30/75/13/656307513.db2.gz NLUCXGIVNNKDTQ-VIFPVBQESA-N 1 2 255.318 -1.353 20 0 CAADLO C[C@@H](O)C[NH+]1CC(NC(=O)Cn2ccc(=O)n(C)c2=O)C1 ZINC001030398221 656307566 /nfs/dbraw/zinc/30/75/66/656307566.db2.gz BDRRAZHZVHEKAF-SECBINFHSA-N 1 2 296.327 -2.272 20 0 CAADLO C[C@H](O)C[NH+]1CC(NC(=O)CN2CCCS2(=O)=O)C1 ZINC001030403454 656308992 /nfs/dbraw/zinc/30/89/92/656308992.db2.gz QGQAWLJDKVAXLS-VIFPVBQESA-N 1 2 291.373 -1.797 20 0 CAADLO C[C@@H](O)C[NH+]1CC(NC(=O)CN2CCCS2(=O)=O)C1 ZINC001030403453 656309011 /nfs/dbraw/zinc/30/90/11/656309011.db2.gz QGQAWLJDKVAXLS-SECBINFHSA-N 1 2 291.373 -1.797 20 0 CAADLO NC(=O)C(=O)N[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1O ZINC000991727524 656309217 /nfs/dbraw/zinc/30/92/17/656309217.db2.gz JYWMOEXCOFDDOU-HTQZYQBOSA-N 1 2 295.299 -2.485 20 0 CAADLO NC(=O)C(=O)N[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1O ZINC000991753135 656311404 /nfs/dbraw/zinc/31/14/04/656311404.db2.gz WUFTVSPPLWHUIY-BDAKNGLRSA-N 1 2 295.299 -2.485 20 0 CAADLO NC(=O)C(=O)N[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1O ZINC000991753139 656311673 /nfs/dbraw/zinc/31/16/73/656311673.db2.gz WUFTVSPPLWHUIY-RKDXNWHRSA-N 1 2 295.299 -2.485 20 0 CAADLO O=C(Cn1cc(C2CC2)nn1)NC1C[NH+](CCO)C1 ZINC001030432460 656311765 /nfs/dbraw/zinc/31/17/65/656311765.db2.gz ICJMGRILFBPWPV-UHFFFAOYSA-N 1 2 265.317 -1.052 20 0 CAADLO C[C@H](O)C[NH+]1CC(NC(=O)C[C@@H]2CCNC2=O)C1 ZINC001030434334 656312030 /nfs/dbraw/zinc/31/20/30/656312030.db2.gz VRXUNTHCNJTWGY-IUCAKERBSA-N 1 2 255.318 -1.306 20 0 CAADLO COCC[NH+]1CC(NC(=O)C[C@H]2CCNC2=O)C1 ZINC001030433118 656312053 /nfs/dbraw/zinc/31/20/53/656312053.db2.gz AMZUFFZSPNELCH-SECBINFHSA-N 1 2 255.318 -1.041 20 0 CAADLO COCC[NH+]1CC(NC(=O)CN2CCOCC2=O)C1 ZINC001030449409 656312639 /nfs/dbraw/zinc/31/26/39/656312639.db2.gz FNZYCLOSZDXLPO-UHFFFAOYSA-N 1 2 271.317 -1.708 20 0 CAADLO C[C@H](O)C[NH+]1CC(NC(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001030461115 656312749 /nfs/dbraw/zinc/31/27/49/656312749.db2.gz DVOOHXGNTHZJBN-XPUUQOCRSA-N 1 2 270.289 -2.234 20 0 CAADLO COC[C@H](C)[NH+]1CC(NC(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001030461283 656312978 /nfs/dbraw/zinc/31/29/78/656312978.db2.gz JAIWNGWOQRIAQJ-CBAPKCEASA-N 1 2 284.316 -1.580 20 0 CAADLO COCC[NH+]1CC(NC(=O)c2cc(=O)n(C)cn2)C1 ZINC001030465642 656313276 /nfs/dbraw/zinc/31/32/76/656313276.db2.gz ZATDRZAVCPJBOC-UHFFFAOYSA-N 1 2 266.301 -1.159 20 0 CAADLO C[C@@H](O)C[NH+]1CC(NC(=O)c2cc(=O)n(C)cn2)C1 ZINC001030464927 656313325 /nfs/dbraw/zinc/31/33/25/656313325.db2.gz BXSUVGZHRKUPOB-MRVPVSSYSA-N 1 2 266.301 -1.425 20 0 CAADLO C[C@@H]1OCCO[C@@H]1C(=O)NC1C[NH+](CCCO)C1 ZINC001030465250 656313353 /nfs/dbraw/zinc/31/33/53/656313353.db2.gz YGEUHVZDEOOSDP-ONGXEEELSA-N 1 2 258.318 -1.027 20 0 CAADLO COCC[NH+]1CC(NC(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001030461405 656313516 /nfs/dbraw/zinc/31/35/16/656313516.db2.gz MAAAZWXJTZRLIH-QMMMGPOBSA-N 1 2 270.289 -1.969 20 0 CAADLO C[C@H](O)C[NH+]1CC(NC(=O)c2cn[nH]c(=O)c2)C1 ZINC001030484076 656314059 /nfs/dbraw/zinc/31/40/59/656314059.db2.gz WWSPRDGFYHUNQZ-ZETCQYMHSA-N 1 2 252.274 -1.023 20 0 CAADLO C[C@@H](O)C[NH+]1CC(NC(=O)c2cn[nH]c(=O)c2)C1 ZINC001030484075 656314151 /nfs/dbraw/zinc/31/41/51/656314151.db2.gz WWSPRDGFYHUNQZ-SSDOTTSWSA-N 1 2 252.274 -1.023 20 0 CAADLO COCC(=O)N1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)[C@@H](O)C1 ZINC000991801178 656314390 /nfs/dbraw/zinc/31/43/90/656314390.db2.gz BJJATHIVXNXWJT-MNOVXSKESA-N 1 2 296.327 -1.323 20 0 CAADLO COCC(=O)N1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)[C@@H](O)C1 ZINC000991801182 656314425 /nfs/dbraw/zinc/31/44/25/656314425.db2.gz BJJATHIVXNXWJT-QWRGUYRKSA-N 1 2 296.327 -1.323 20 0 CAADLO CN1CC[C@@H](CC(=O)NC2C[NH+](CCO)C2)C1=O ZINC001030492904 656314537 /nfs/dbraw/zinc/31/45/37/656314537.db2.gz FQRUAVQXLVBCSS-VIFPVBQESA-N 1 2 255.318 -1.353 20 0 CAADLO COCC(=O)N1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)[C@H](O)C1 ZINC000991801183 656314599 /nfs/dbraw/zinc/31/45/99/656314599.db2.gz BJJATHIVXNXWJT-WDEREUQCSA-N 1 2 296.327 -1.323 20 0 CAADLO C[C@@H](O)C[NH+]1CC(NC(=O)[C@H]2CCCC(=O)N2)C1 ZINC001030492451 656314610 /nfs/dbraw/zinc/31/46/10/656314610.db2.gz UTTBPODSFWUHKL-PSASIEDQSA-N 1 2 255.318 -1.164 20 0 CAADLO O=C(NC1C[NH+](CCCO)C1)c1cn[nH]c(=O)c1 ZINC001030484507 656314620 /nfs/dbraw/zinc/31/46/20/656314620.db2.gz NXAHWNTUABZLAT-UHFFFAOYSA-N 1 2 252.274 -1.021 20 0 CAADLO C[C@H](O)C[NH+]1CC(NC(=O)c2cnc[nH]c2=O)C1 ZINC001030497783 656315043 /nfs/dbraw/zinc/31/50/43/656315043.db2.gz AFYGDTYKVDIWED-ZETCQYMHSA-N 1 2 252.274 -1.023 20 0 CAADLO O=C(NC1C[NH+](CCCO)C1)c1cnc[nH]c1=O ZINC001030497418 656315191 /nfs/dbraw/zinc/31/51/91/656315191.db2.gz IRNKKNWJCQYPMM-UHFFFAOYSA-N 1 2 252.274 -1.021 20 0 CAADLO NC(=O)C(=O)N1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)[C@H](O)C1 ZINC000991816753 656315684 /nfs/dbraw/zinc/31/56/84/656315684.db2.gz NYYADCVQMDDPLW-DTWKUNHWSA-N 1 2 295.299 -2.485 20 0 CAADLO NC(=O)C(=O)N1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)[C@@H](O)C1 ZINC000991816761 656315721 /nfs/dbraw/zinc/31/57/21/656315721.db2.gz NYYADCVQMDDPLW-IUCAKERBSA-N 1 2 295.299 -2.485 20 0 CAADLO C[C@H](O)C[NH+]1CC(NC(=O)Cc2ccc(C(N)=O)nc2)C1 ZINC001030526148 656315878 /nfs/dbraw/zinc/31/58/78/656315878.db2.gz DTBHJAUQFMWPGD-VIFPVBQESA-N 1 2 292.339 -1.096 20 0 CAADLO C[C@@H](O)C[NH+]1CC(NC(=O)[C@@H]2CCC3N=NC(=O)N3C2)C1 ZINC001030545890 656316070 /nfs/dbraw/zinc/31/60/70/656316070.db2.gz ARPFPOFPXZMOIT-RKDXNWHRSA-N 1 2 295.343 -1.273 20 0 CAADLO Cn1ccc(C(=O)NC2C[NH+](CCO)C2)cc1=O ZINC001030543739 656316245 /nfs/dbraw/zinc/31/62/45/656316245.db2.gz LUTROHYMXBOBGF-UHFFFAOYSA-N 1 2 251.286 -1.208 20 0 CAADLO NC(=O)CN1CC(NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001030544827 656316420 /nfs/dbraw/zinc/31/64/20/656316420.db2.gz ZBDXXSWDNBRJOT-VIFPVBQESA-N 1 2 277.328 -1.269 20 0 CAADLO C[C@H](O)C[NH+]1CC(NC(=O)CN2CCN(C)C(=O)C2)C1 ZINC001030555419 656316746 /nfs/dbraw/zinc/31/67/46/656316746.db2.gz MDHSZPQSGXUPQC-JTQLQIEISA-N 1 2 284.360 -2.058 20 0 CAADLO CNC(=O)CN1CC(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001030551680 656316789 /nfs/dbraw/zinc/31/67/89/656316789.db2.gz AHMFFGUJIJNHAN-SNVBAGLBSA-N 1 2 291.355 -1.008 20 0 CAADLO CN1CCN(CC(=O)NC2C[NH+](CCCO)C2)CC1=O ZINC001030557560 656316817 /nfs/dbraw/zinc/31/68/17/656316817.db2.gz LWFZZLKGRAGIDM-UHFFFAOYSA-N 1 2 284.360 -2.057 20 0 CAADLO CNC(=O)CN1CC(NC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001030551507 656316826 /nfs/dbraw/zinc/31/68/26/656316826.db2.gz VEGWTNAZMOYWIZ-JTQLQIEISA-N 1 2 291.355 -1.008 20 0 CAADLO CNC(=O)CN1CC(NC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001030551679 656316847 /nfs/dbraw/zinc/31/68/47/656316847.db2.gz AHMFFGUJIJNHAN-JTQLQIEISA-N 1 2 291.355 -1.008 20 0 CAADLO CCN1CCOC[C@@H]1C(=O)NC1C[NH+](C[C@@H](C)O)C1 ZINC001030578342 656317231 /nfs/dbraw/zinc/31/72/31/656317231.db2.gz VGEMGOLEUBACSJ-ZYHUDNBSSA-N 1 2 271.361 -1.112 20 0 CAADLO CCN1CCOC[C@@H]1C(=O)NC1C[NH+](CCCO)C1 ZINC001030574229 656317348 /nfs/dbraw/zinc/31/73/48/656317348.db2.gz XKFYKQLGKOSHHP-GFCCVEGCSA-N 1 2 271.361 -1.110 20 0 CAADLO C[C@H]1C[C@H](C(=O)NC2C[NH+](CCO)C2)CC(=O)N1 ZINC001030589207 656317357 /nfs/dbraw/zinc/31/73/57/656317357.db2.gz BICNRKPNELIZSS-IUCAKERBSA-N 1 2 255.318 -1.306 20 0 CAADLO C[C@@H]1C[C@@H](C(=O)NC2C[NH+](CCO)C2)CC(=O)N1 ZINC001030589208 656317492 /nfs/dbraw/zinc/31/74/92/656317492.db2.gz BICNRKPNELIZSS-RKDXNWHRSA-N 1 2 255.318 -1.306 20 0 CAADLO C[C@H]1C[C@@H](C(=O)NC2C[NH+](CCO)C2)CC(=O)N1 ZINC001030589206 656317632 /nfs/dbraw/zinc/31/76/32/656317632.db2.gz BICNRKPNELIZSS-DTWKUNHWSA-N 1 2 255.318 -1.306 20 0 CAADLO C[C@H](O)C[NH+]1CC(NC(=O)Cn2ncn(C)c2=O)C1 ZINC001030575341 656317641 /nfs/dbraw/zinc/31/76/41/656317641.db2.gz OLCVBIMOGWXGOU-QMMMGPOBSA-N 1 2 269.305 -2.237 20 0 CAADLO O=C(Cn1ncnn1)NC1CN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000991868280 656317784 /nfs/dbraw/zinc/31/77/84/656317784.db2.gz IVJLZJPBOZGSJR-UHFFFAOYSA-N 1 2 290.287 -2.034 20 0 CAADLO Cn1cc(C(=O)NC2C[NH+](CCO)C2)ccc1=O ZINC001030602076 656319508 /nfs/dbraw/zinc/31/95/08/656319508.db2.gz KFNLKZISRIAFCZ-UHFFFAOYSA-N 1 2 251.286 -1.208 20 0 CAADLO O=C(CN1CCCNC1=O)NC1C[NH+](CCO)C1 ZINC001030605969 656320258 /nfs/dbraw/zinc/32/02/58/656320258.db2.gz QJQWCENQXFXQMP-UHFFFAOYSA-N 1 2 256.306 -1.806 20 0 CAADLO C[C@H](O)C[NH+]1CC(NC(=O)c2cc(C(N)=O)cn2C)C1 ZINC001030619910 656320555 /nfs/dbraw/zinc/32/05/55/656320555.db2.gz NPKSUCSYKBECFW-QMMMGPOBSA-N 1 2 280.328 -1.081 20 0 CAADLO C[N@@H+]1CCN(C(=O)[C@@H]2CC[C@H](C(N)=O)O2)C[C@@H]1CO ZINC000913555425 656321036 /nfs/dbraw/zinc/32/10/36/656321036.db2.gz DAUAWTIYRXWXHM-BBBLOLIVSA-N 1 2 271.317 -1.846 20 0 CAADLO C[N@H+]1CCN(C(=O)[C@@H]2CC[C@H](C(N)=O)O2)C[C@@H]1CO ZINC000913555425 656321040 /nfs/dbraw/zinc/32/10/40/656321040.db2.gz DAUAWTIYRXWXHM-BBBLOLIVSA-N 1 2 271.317 -1.846 20 0 CAADLO O=C(C[C@H]1CCCC(=O)N1)NC1C[NH+](CCO)C1 ZINC001030651065 656321721 /nfs/dbraw/zinc/32/17/21/656321721.db2.gz OSWWNFCCDLWJII-SECBINFHSA-N 1 2 255.318 -1.162 20 0 CAADLO O=C(Cn1nccn1)NC1CN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000991945267 656323722 /nfs/dbraw/zinc/32/37/22/656323722.db2.gz KIVFMXPMLXCXIG-UHFFFAOYSA-N 1 2 289.299 -1.429 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCN(C)C(=O)C2)C1 ZINC001014968215 656324254 /nfs/dbraw/zinc/32/42/54/656324254.db2.gz LNWAPGUHBRBBRC-MNOVXSKESA-N 1 2 296.371 -1.209 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCN(C)C(=O)C2)C1 ZINC001014968215 656324256 /nfs/dbraw/zinc/32/42/56/656324256.db2.gz LNWAPGUHBRBBRC-MNOVXSKESA-N 1 2 296.371 -1.209 20 0 CAADLO COCC[NH+]1CC(NC(=O)c2cn(C)c(=O)cn2)C1 ZINC001030704145 656324387 /nfs/dbraw/zinc/32/43/87/656324387.db2.gz HUDFEIMMOQEDNK-UHFFFAOYSA-N 1 2 266.301 -1.159 20 0 CAADLO Cn1cc(C(=O)NC2C[NH+](CCO)C2)ncc1=O ZINC001030706734 656324431 /nfs/dbraw/zinc/32/44/31/656324431.db2.gz PPLCKJXZGFROSX-UHFFFAOYSA-N 1 2 252.274 -1.813 20 0 CAADLO O=C(Cn1nccn1)NC1CN(C(=O)Cn2cc[nH+]c2)C1 ZINC000991960518 656324451 /nfs/dbraw/zinc/32/44/51/656324451.db2.gz SRJMVJIZMJQPOU-UHFFFAOYSA-N 1 2 289.299 -1.498 20 0 CAADLO O=C(NC1C[NH+](CCCO)C1)[C@@H]1Cc2cncn2C(=O)N1 ZINC001030726079 656324620 /nfs/dbraw/zinc/32/46/20/656324620.db2.gz YSBPRUJUGOWZJS-NSHDSACASA-N 1 2 293.327 -1.452 20 0 CAADLO O=C(NC1C[NH+](CCO)C1)[C@@H]1Cc2cncn2C(=O)N1 ZINC001030724477 656324907 /nfs/dbraw/zinc/32/49/07/656324907.db2.gz CBTRLBLDNDKLGP-JTQLQIEISA-N 1 2 279.300 -1.842 20 0 CAADLO CCCC[N@@H+]1CCOC[C@H]1C(=O)NC1CN(CC(N)=O)C1 ZINC001030738152 656325188 /nfs/dbraw/zinc/32/51/88/656325188.db2.gz WOYPMGHOVGLTKM-LBPRGKRZSA-N 1 2 298.387 -1.227 20 0 CAADLO CCCC[N@H+]1CCOC[C@H]1C(=O)NC1CN(CC(N)=O)C1 ZINC001030738152 656325194 /nfs/dbraw/zinc/32/51/94/656325194.db2.gz WOYPMGHOVGLTKM-LBPRGKRZSA-N 1 2 298.387 -1.227 20 0 CAADLO O=C(NC1C[NH+](CCO)C1)[C@@H]1COCCN1CC(F)F ZINC001030742906 656325387 /nfs/dbraw/zinc/32/53/87/656325387.db2.gz WSQHZKBXWPJGFO-JTQLQIEISA-N 1 2 293.314 -1.255 20 0 CAADLO C[C@H](O)C[NH+]1CC(NC(=O)[C@@]2(C)CNC(=O)C2)C1 ZINC001030729239 656325643 /nfs/dbraw/zinc/32/56/43/656325643.db2.gz QBTIWLAJIJGHIG-QPUJVOFHSA-N 1 2 255.318 -1.306 20 0 CAADLO O=C(NC1C[NH+](CCO)C1)[C@H]1COCCN1CC(F)F ZINC001030742907 656325656 /nfs/dbraw/zinc/32/56/56/656325656.db2.gz WSQHZKBXWPJGFO-SNVBAGLBSA-N 1 2 293.314 -1.255 20 0 CAADLO CO[C@H]1C[C@H](C(=O)NC2C[NH+](CCO)C2)N(C(C)=O)C1 ZINC001030748731 656326065 /nfs/dbraw/zinc/32/60/65/656326065.db2.gz HTIJACYKIYPXTF-NWDGAFQWSA-N 1 2 285.344 -1.585 20 0 CAADLO CO[C@H]1C[C@H](C(=O)NC2C[NH+](C[C@H](C)O)C2)N(C(C)=O)C1 ZINC001030747908 656326147 /nfs/dbraw/zinc/32/61/47/656326147.db2.gz BFTQEIMDIXBYEZ-TVYUQYBPSA-N 1 2 299.371 -1.197 20 0 CAADLO Cn1c(=O)[nH]cc(C(=O)NC2C[NH+](CCCO)C2)c1=O ZINC001030779389 656326802 /nfs/dbraw/zinc/32/68/02/656326802.db2.gz XIWLNVQIQVEVOA-UHFFFAOYSA-N 1 2 282.300 -1.718 20 0 CAADLO CCN1CCOC[C@H]1C(=O)N[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001015025187 656327551 /nfs/dbraw/zinc/32/75/51/656327551.db2.gz QKFBBUJNDXGPQR-QWRGUYRKSA-N 1 2 284.360 -1.617 20 0 CAADLO CCN1CCOC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001015025187 656327553 /nfs/dbraw/zinc/32/75/53/656327553.db2.gz QKFBBUJNDXGPQR-QWRGUYRKSA-N 1 2 284.360 -1.617 20 0 CAADLO O=C(NC1C[NH+](CCCO)C1)c1ccn2nnnc2c1 ZINC001030783407 656327691 /nfs/dbraw/zinc/32/76/91/656327691.db2.gz MEFLQYWWBKGKLD-UHFFFAOYSA-N 1 2 276.300 -1.079 20 0 CAADLO O=C(CN1CCNC(=O)C1)NC1C[NH+](CCO)C1 ZINC001030788107 656328324 /nfs/dbraw/zinc/32/83/24/656328324.db2.gz RNCVUZTZNRRYQN-UHFFFAOYSA-N 1 2 256.306 -2.789 20 0 CAADLO COC[C@@H](C)[NH+]1CC(NC(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC001030790319 656328774 /nfs/dbraw/zinc/32/87/74/656328774.db2.gz CXXWRWAUBJLMQB-PSASIEDQSA-N 1 2 270.333 -1.155 20 0 CAADLO COCC[NH+]1CC(NC(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC001030790495 656328852 /nfs/dbraw/zinc/32/88/52/656328852.db2.gz FQZUISWEKNSEDX-SECBINFHSA-N 1 2 256.306 -1.543 20 0 CAADLO Cn1cc(CC[NH+]2CC(NC(=O)[C@H]3CCNC3=O)C2)cn1 ZINC001030790959 656328882 /nfs/dbraw/zinc/32/88/82/656328882.db2.gz NINGMWSAIJSNNT-LBPRGKRZSA-N 1 2 291.355 -1.101 20 0 CAADLO COC[C@H](C)[NH+]1CC(NC(=O)[C@@H]2CCNC2=O)C1 ZINC001030791297 656329367 /nfs/dbraw/zinc/32/93/67/656329367.db2.gz BPTOQEDWQHLUND-WCBMZHEXSA-N 1 2 255.318 -1.042 20 0 CAADLO COCC[NH+]1CC(NC(=O)[C@H]2CC[C@H]2C(N)=O)C1 ZINC001030792622 656329492 /nfs/dbraw/zinc/32/94/92/656329492.db2.gz QJIALKNAGFLYDD-ZJUUUORDSA-N 1 2 255.318 -1.055 20 0 CAADLO NC(=O)[C@@H]1CC[C@H]1C(=O)NC1C[NH+](CCCO)C1 ZINC001030791275 656329708 /nfs/dbraw/zinc/32/97/08/656329708.db2.gz BFLBIGZRSVASTE-NXEZZACHSA-N 1 2 255.318 -1.319 20 0 CAADLO C[C@H](O)C[NH+]1CC(NC(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC001030793840 656330427 /nfs/dbraw/zinc/33/04/27/656330427.db2.gz XGPDFHAIWFPDCT-IONNQARKSA-N 1 2 256.306 -1.809 20 0 CAADLO Cn1nncc1C[N@@H+]1CC[C@]2(NC(=O)C(N)=O)CCC[C@@H]12 ZINC000992158374 656330933 /nfs/dbraw/zinc/33/09/33/656330933.db2.gz IIZWRTKPXVUZDL-ZWNOBZJWSA-N 1 2 292.343 -1.086 20 0 CAADLO Cn1nncc1C[N@H+]1CC[C@]2(NC(=O)C(N)=O)CCC[C@@H]12 ZINC000992158374 656330934 /nfs/dbraw/zinc/33/09/34/656330934.db2.gz IIZWRTKPXVUZDL-ZWNOBZJWSA-N 1 2 292.343 -1.086 20 0 CAADLO Cn1nncc1C[N@@H+]1CC[C@@]2(NC(=O)C(N)=O)CCC[C@@H]12 ZINC000992158370 656330944 /nfs/dbraw/zinc/33/09/44/656330944.db2.gz IIZWRTKPXVUZDL-MFKMUULPSA-N 1 2 292.343 -1.086 20 0 CAADLO Cn1nncc1C[N@H+]1CC[C@@]2(NC(=O)C(N)=O)CCC[C@@H]12 ZINC000992158370 656330947 /nfs/dbraw/zinc/33/09/47/656330947.db2.gz IIZWRTKPXVUZDL-MFKMUULPSA-N 1 2 292.343 -1.086 20 0 CAADLO Cn1c[nH+]cc1CN1CC(NC(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC001030795152 656330958 /nfs/dbraw/zinc/33/09/58/656330958.db2.gz MBDDJQREHSVMNH-LLVKDONJSA-N 1 2 292.343 -1.256 20 0 CAADLO Cn1nncc1C[N@@H+]1CC[C@@]2(NC(=O)C(N)=O)CCC[C@H]12 ZINC000992158356 656331018 /nfs/dbraw/zinc/33/10/18/656331018.db2.gz IIZWRTKPXVUZDL-GWCFXTLKSA-N 1 2 292.343 -1.086 20 0 CAADLO Cn1nncc1C[N@H+]1CC[C@@]2(NC(=O)C(N)=O)CCC[C@H]12 ZINC000992158356 656331019 /nfs/dbraw/zinc/33/10/19/656331019.db2.gz IIZWRTKPXVUZDL-GWCFXTLKSA-N 1 2 292.343 -1.086 20 0 CAADLO CO[C@@H](C)C[NH+]1CC(NC(=O)c2nnn(C)n2)C1 ZINC001030803965 656331433 /nfs/dbraw/zinc/33/14/33/656331433.db2.gz KKCILONMTUIYLX-ZETCQYMHSA-N 1 2 254.294 -1.341 20 0 CAADLO CN1CC[C@H](C(=O)NC2C[NH+](CCCO)C2)C1=O ZINC001030812039 656331867 /nfs/dbraw/zinc/33/18/67/656331867.db2.gz HHOOEYKRBOLZLR-SNVBAGLBSA-N 1 2 255.318 -1.353 20 0 CAADLO COCC[NH+]1CC(NC(=O)[C@H]2CCN(C)C2=O)C1 ZINC001030812339 656331985 /nfs/dbraw/zinc/33/19/85/656331985.db2.gz MAJDZIHPYAISOS-SNVBAGLBSA-N 1 2 255.318 -1.089 20 0 CAADLO C[C@@H](O)C[NH+]1CC(NC(=O)[C@H]2CCN(C)C2=O)C1 ZINC001030814081 656332007 /nfs/dbraw/zinc/33/20/07/656332007.db2.gz KGXNEUYOIFGQHV-PSASIEDQSA-N 1 2 255.318 -1.354 20 0 CAADLO C[C@H](O)C[NH+]1CC(NC(=O)[C@H]2CCN(C)C2=O)C1 ZINC001030814084 656332185 /nfs/dbraw/zinc/33/21/85/656332185.db2.gz KGXNEUYOIFGQHV-WCBMZHEXSA-N 1 2 255.318 -1.354 20 0 CAADLO CNC(=O)C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCNC(=O)C2)C1 ZINC001007098497 656333384 /nfs/dbraw/zinc/33/33/84/656333384.db2.gz IPLYQXQQHPTTIP-MNOVXSKESA-N 1 2 296.371 -1.161 20 0 CAADLO CNC(=O)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCNC(=O)C2)C1 ZINC001007098497 656333388 /nfs/dbraw/zinc/33/33/88/656333388.db2.gz IPLYQXQQHPTTIP-MNOVXSKESA-N 1 2 296.371 -1.161 20 0 CAADLO Cn1nnc2c1C[C@@H](C(=O)NC1C[NH+](CCO)C1)CC2 ZINC001030849737 656333458 /nfs/dbraw/zinc/33/34/58/656333458.db2.gz ILELKXMEXSNQAK-VIFPVBQESA-N 1 2 279.344 -1.287 20 0 CAADLO CNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCNC(=O)C2)C1 ZINC001007098488 656333695 /nfs/dbraw/zinc/33/36/95/656333695.db2.gz IPLYQXQQHPTTIP-GHMZBOCLSA-N 1 2 296.371 -1.161 20 0 CAADLO CNC(=O)C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCNC(=O)C2)C1 ZINC001007098488 656333698 /nfs/dbraw/zinc/33/36/98/656333698.db2.gz IPLYQXQQHPTTIP-GHMZBOCLSA-N 1 2 296.371 -1.161 20 0 CAADLO COC[C@H](C)[NH+]1CC(NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001030875604 656334197 /nfs/dbraw/zinc/33/41/97/656334197.db2.gz FYYONTGCAJXSAD-IONNQARKSA-N 1 2 256.306 -1.497 20 0 CAADLO COC[C@@H](C)[NH+]1CC(NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001030875600 656334508 /nfs/dbraw/zinc/33/45/08/656334508.db2.gz FYYONTGCAJXSAD-APPZFPTMSA-N 1 2 256.306 -1.497 20 0 CAADLO Cn1c[nH+]cc1CN1CC(NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001030876921 656334842 /nfs/dbraw/zinc/33/48/42/656334842.db2.gz CCNPELZSERPRRZ-SNVBAGLBSA-N 1 2 278.316 -1.598 20 0 CAADLO Cn1c[nH+]cc1CN1CC(NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001030876919 656334858 /nfs/dbraw/zinc/33/48/58/656334858.db2.gz CCNPELZSERPRRZ-JTQLQIEISA-N 1 2 278.316 -1.598 20 0 CAADLO NC(=O)C(=O)NC1C[NH+](C[C@H](O)Cc2ccccc2)C1 ZINC001030882904 656336767 /nfs/dbraw/zinc/33/67/67/656336767.db2.gz QFMKZLVGPMQIRN-GFCCVEGCSA-N 1 2 277.324 -1.124 20 0 CAADLO C[C@@H](O)C[NH+]1CC(NC(=O)c2cn(C)c(=O)[nH]2)C1 ZINC001030900087 656337346 /nfs/dbraw/zinc/33/73/46/656337346.db2.gz UOMQPHQTJOSBDI-SSDOTTSWSA-N 1 2 254.290 -1.080 20 0 CAADLO C[C@@]1(C(=O)NC2C[NH+](CCCO)C2)CCC(=O)N1 ZINC001030910431 656337933 /nfs/dbraw/zinc/33/79/33/656337933.db2.gz JWNGUKIWVCWHBC-LBPRGKRZSA-N 1 2 255.318 -1.162 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@]2(NC(=O)Cc3nnc[nH]3)CCC[C@H]12 ZINC000992401081 656338110 /nfs/dbraw/zinc/33/81/10/656338110.db2.gz DXBXUWIOPBMXJK-ZANVPECISA-N 1 2 292.343 -1.054 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@]2(NC(=O)Cc3nnc[nH]3)CCC[C@H]12 ZINC000992401081 656338112 /nfs/dbraw/zinc/33/81/12/656338112.db2.gz DXBXUWIOPBMXJK-ZANVPECISA-N 1 2 292.343 -1.054 20 0 CAADLO C[C@@H]1[C@H](NC(=O)Cc2[nH]cc[nH+]2)CCCN1C(=O)C(N)=O ZINC001015174985 656338243 /nfs/dbraw/zinc/33/82/43/656338243.db2.gz OGFVCEYIOQBAMW-RKDXNWHRSA-N 1 2 293.327 -1.067 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)c2ccnc3n[nH]nc32)C1 ZINC001015217211 656340241 /nfs/dbraw/zinc/34/02/41/656340241.db2.gz VWZXMLKKYYQYAG-ZETCQYMHSA-N 1 2 289.299 -1.358 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)c2ccnc3n[nH]nc32)C1 ZINC001015217211 656340245 /nfs/dbraw/zinc/34/02/45/656340245.db2.gz VWZXMLKKYYQYAG-ZETCQYMHSA-N 1 2 289.299 -1.358 20 0 CAADLO CC[C@H]1COCC[N@@H+]1CCNC(=O)CN1CCNC(=O)C1 ZINC000913808838 656340264 /nfs/dbraw/zinc/34/02/64/656340264.db2.gz ICABHNAMILBFTJ-LBPRGKRZSA-N 1 2 298.387 -1.355 20 0 CAADLO CC[C@H]1COCC[N@H+]1CCNC(=O)CN1CCNC(=O)C1 ZINC000913808838 656340265 /nfs/dbraw/zinc/34/02/65/656340265.db2.gz ICABHNAMILBFTJ-LBPRGKRZSA-N 1 2 298.387 -1.355 20 0 CAADLO C[C@H](O)C[NH+]1CC(NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001030948605 656340924 /nfs/dbraw/zinc/34/09/24/656340924.db2.gz ABERPUVGYRZACT-UJNFCWOMSA-N 1 2 271.317 -1.800 20 0 CAADLO C[C@@H](O)C[NH+]1CC(NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001030948602 656340936 /nfs/dbraw/zinc/34/09/36/656340936.db2.gz ABERPUVGYRZACT-FKTZTGRPSA-N 1 2 271.317 -1.800 20 0 CAADLO NC(=O)[C@@H]1CC[C@H](C(=O)NC2C[NH+](CCCO)C2)O1 ZINC001030947889 656341035 /nfs/dbraw/zinc/34/10/35/656341035.db2.gz IEZLLHRFIWIUAE-VHSXEESVSA-N 1 2 271.317 -1.798 20 0 CAADLO C[C@H](O)C[NH+]1CC(NC(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)C1 ZINC001030949489 656341063 /nfs/dbraw/zinc/34/10/63/656341063.db2.gz NEZAXDQRHMHTDM-WCQGTBRESA-N 1 2 299.371 -1.197 20 0 CAADLO COC[C@H](C)[NH+]1CC(NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001030947990 656341143 /nfs/dbraw/zinc/34/11/43/656341143.db2.gz NDLGJCXHDPBIIJ-INTQDDNPSA-N 1 2 285.344 -1.145 20 0 CAADLO C[C@H](O)C[NH+]1CC(NC(=O)[C@@]2(C)CCNC2=O)C1 ZINC001030947189 656341148 /nfs/dbraw/zinc/34/11/48/656341148.db2.gz QTNGLNTVFSSTDW-UFBFGSQYSA-N 1 2 255.318 -1.306 20 0 CAADLO Cn1c(=O)n2c(c1C(=O)NC1C[NH+](CCO)C1)CCCC2 ZINC001030956949 656341929 /nfs/dbraw/zinc/34/19/29/656341929.db2.gz PPUDAPLNTAKYOO-UHFFFAOYSA-N 1 2 294.355 -1.071 20 0 CAADLO CNC(=O)C[N@@H+]1CCC[C@H](NC(=O)CN2CCOCC2)C1 ZINC001007117014 656342048 /nfs/dbraw/zinc/34/20/48/656342048.db2.gz MYUSCINJTVPCLD-LBPRGKRZSA-N 1 2 298.387 -1.355 20 0 CAADLO CNC(=O)C[N@H+]1CCC[C@H](NC(=O)CN2CCOCC2)C1 ZINC001007117014 656342051 /nfs/dbraw/zinc/34/20/51/656342051.db2.gz MYUSCINJTVPCLD-LBPRGKRZSA-N 1 2 298.387 -1.355 20 0 CAADLO CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)NC1C[NH+](CCO)C1 ZINC001030966224 656342280 /nfs/dbraw/zinc/34/22/80/656342280.db2.gz OMQGAEAKCUIPAC-VHSXEESVSA-N 1 2 255.318 -1.497 20 0 CAADLO Cn1c[nH+]cc1CN1CC(NC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001030968374 656342300 /nfs/dbraw/zinc/34/23/00/656342300.db2.gz MKPCWJKRGCNTDR-MNOVXSKESA-N 1 2 277.328 -1.158 20 0 CAADLO Cn1cc(CC[NH+]2CC(NC(=O)[C@H]3C[C@H]3C(N)=O)C2)cn1 ZINC001030967040 656342327 /nfs/dbraw/zinc/34/23/27/656342327.db2.gz JYQNMMDMXBSYPY-NEPJUHHUSA-N 1 2 291.355 -1.116 20 0 CAADLO C[C@H](O)C[NH+]1CC(NC(=O)[C@H]2C[C@H]2C(=O)N(C)C)C1 ZINC001030967344 656342485 /nfs/dbraw/zinc/34/24/85/656342485.db2.gz RWKSGHBDPBTZRP-INTQDDNPSA-N 1 2 269.345 -1.108 20 0 CAADLO NC(=O)c1ccc(C(=O)NC2C[NH+](CCCO)C2)[nH]1 ZINC001030964401 656342820 /nfs/dbraw/zinc/34/28/20/656342820.db2.gz KTOCTORHAQWSDD-UHFFFAOYSA-N 1 2 266.301 -1.090 20 0 CAADLO C[C@@H](O)C[NH+]1CC(NC(=O)c2ccc(C(N)=O)[nH]2)C1 ZINC001030970521 656342934 /nfs/dbraw/zinc/34/29/34/656342934.db2.gz RXVWPACUSUZNTA-SSDOTTSWSA-N 1 2 266.301 -1.092 20 0 CAADLO NC(=O)[C@@H]1CC[C@H](C(=O)NC2C[NH+](CCO)C2)C1 ZINC001030969603 656343355 /nfs/dbraw/zinc/34/33/55/656343355.db2.gz GKBYEGRNAFIALH-BDAKNGLRSA-N 1 2 255.318 -1.319 20 0 CAADLO O=C(NC1C[NH+](CCCO)C1)[C@@H]1CCc2nnnn2CC1 ZINC001030986675 656343736 /nfs/dbraw/zinc/34/37/36/656343736.db2.gz VGTXLJAASUBSKQ-SNVBAGLBSA-N 1 2 294.359 -1.192 20 0 CAADLO C[C@H](O)C[NH+]1CC(NC(=O)[C@@H]2CCc3nnnn3CC2)C1 ZINC001030985046 656343745 /nfs/dbraw/zinc/34/37/45/656343745.db2.gz URGJHQMAPMATEK-VHSXEESVSA-N 1 2 294.359 -1.193 20 0 CAADLO C[C@@H](O)C[NH+]1CC(NC(=O)[C@H]2CCc3nnnn3CC2)C1 ZINC001030985047 656344005 /nfs/dbraw/zinc/34/40/05/656344005.db2.gz URGJHQMAPMATEK-ZJUUUORDSA-N 1 2 294.359 -1.193 20 0 CAADLO C[C@@H]1[C@@H](NC(=O)Cc2c[nH]c[nH+]2)CCCN1C(=O)C(N)=O ZINC001015266280 656344663 /nfs/dbraw/zinc/34/46/63/656344663.db2.gz QVMHTKIAORETNV-SCZZXKLOSA-N 1 2 293.327 -1.067 20 0 CAADLO C[C@@H]1[C@H](NC(=O)Cc2c[nH]c[nH+]2)CCCN1C(=O)C(N)=O ZINC001015266278 656344781 /nfs/dbraw/zinc/34/47/81/656344781.db2.gz QVMHTKIAORETNV-PSASIEDQSA-N 1 2 293.327 -1.067 20 0 CAADLO C[C@@H](C(N)=O)N1CC(NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001031015791 656345362 /nfs/dbraw/zinc/34/53/62/656345362.db2.gz OKADSHLGQRQMQE-ZETCQYMHSA-N 1 2 251.290 -1.374 20 0 CAADLO O=C(NC1C[NH+](CCO)C1)[C@@H]1CC(=O)NC(=O)N1 ZINC001031022194 656345398 /nfs/dbraw/zinc/34/53/98/656345398.db2.gz YKBSQJDKFXNAAU-ZETCQYMHSA-N 1 2 256.262 -2.623 20 0 CAADLO CN1CC[C@H](N2CC(NC(=O)Cc3c[nH]c[nH+]3)C2)C1=O ZINC001031016020 656345485 /nfs/dbraw/zinc/34/54/85/656345485.db2.gz XUXRIPHFRJCYCF-NSHDSACASA-N 1 2 277.328 -1.017 20 0 CAADLO CN(C)C(=O)CN1CC(NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001031016487 656345571 /nfs/dbraw/zinc/34/55/71/656345571.db2.gz MFTCRYCIGILWKR-UHFFFAOYSA-N 1 2 265.317 -1.159 20 0 CAADLO C[C@H](O)C[NH+]1CCN(S(=O)(=O)[C@@H]2COC[C@H]2O)CC1 ZINC000914153509 656345578 /nfs/dbraw/zinc/34/55/78/656345578.db2.gz CVYWQDRNKYQXLQ-HBNTYKKESA-N 1 2 294.373 -1.926 20 0 CAADLO C[C@H](O)C[NH+]1CC(NC(=O)CN2C(=O)C(=O)N(C)C2=O)C1 ZINC001031042695 656347091 /nfs/dbraw/zinc/34/70/91/656347091.db2.gz ZBPKEHQENMUOTF-ZETCQYMHSA-N 1 2 298.299 -2.412 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1 ZINC001015370069 656347306 /nfs/dbraw/zinc/34/73/06/656347306.db2.gz FQCIZKKNZNNNNY-MRBYEJRBSA-N 1 2 297.355 -1.286 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1 ZINC001015370069 656347307 /nfs/dbraw/zinc/34/73/07/656347307.db2.gz FQCIZKKNZNNNNY-MRBYEJRBSA-N 1 2 297.355 -1.286 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1 ZINC001015370070 656347330 /nfs/dbraw/zinc/34/73/30/656347330.db2.gz FQCIZKKNZNNNNY-SRRSOLGSSA-N 1 2 297.355 -1.286 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1 ZINC001015370070 656347332 /nfs/dbraw/zinc/34/73/32/656347332.db2.gz FQCIZKKNZNNNNY-SRRSOLGSSA-N 1 2 297.355 -1.286 20 0 CAADLO CC(=O)N[C@@H]1CCC[N@H+](CC(=O)N2CCNC(=O)C2)[C@@H]1C ZINC000992911479 656348372 /nfs/dbraw/zinc/34/83/72/656348372.db2.gz AGCPOIDIZJCJGG-ZYHUDNBSSA-N 1 2 296.371 -1.066 20 0 CAADLO CC(=O)N[C@@H]1CCC[N@@H+](CC(=O)N2CCNC(=O)C2)[C@@H]1C ZINC000992911479 656348375 /nfs/dbraw/zinc/34/83/75/656348375.db2.gz AGCPOIDIZJCJGG-ZYHUDNBSSA-N 1 2 296.371 -1.066 20 0 CAADLO CC(=O)N[C@@H]1CCC[N@H+](CC(=O)N2CCNC(=O)C2)[C@H]1C ZINC000992911464 656348468 /nfs/dbraw/zinc/34/84/68/656348468.db2.gz AGCPOIDIZJCJGG-CMPLNLGQSA-N 1 2 296.371 -1.066 20 0 CAADLO CC(=O)N[C@@H]1CCC[N@@H+](CC(=O)N2CCNC(=O)C2)[C@H]1C ZINC000992911464 656348471 /nfs/dbraw/zinc/34/84/71/656348471.db2.gz AGCPOIDIZJCJGG-CMPLNLGQSA-N 1 2 296.371 -1.066 20 0 CAADLO COCC[NH+]1CC(NC(=O)C2CC3(C2)NC(=O)NC3=O)C1 ZINC001031090724 656348802 /nfs/dbraw/zinc/34/88/02/656348802.db2.gz GTQKIPFSUVQUFO-UHFFFAOYSA-N 1 2 296.327 -1.579 20 0 CAADLO CC(C)c1nnnn1CC(=O)NC1C[NH+](C[C@H](C)O)C1 ZINC001031073406 656348840 /nfs/dbraw/zinc/34/88/40/656348840.db2.gz XHRHHLPOKOELPI-VIFPVBQESA-N 1 2 282.348 -1.022 20 0 CAADLO C[C@@H](O)C[NH+]1CC(NC(=O)C2CC3(C2)NC(=O)NC3=O)C1 ZINC001031090925 656348894 /nfs/dbraw/zinc/34/88/94/656348894.db2.gz KZTCZYSATIGOSU-UYVLXELHSA-N 1 2 296.327 -1.844 20 0 CAADLO CC(C)c1nnnn1CC(=O)NC1C[NH+](CCCO)C1 ZINC001031073343 656349047 /nfs/dbraw/zinc/34/90/47/656349047.db2.gz UGEJHTXIZLHHCZ-UHFFFAOYSA-N 1 2 282.348 -1.021 20 0 CAADLO O=C(NC1C[NH+](CCO)C1)C1CC2(C1)NC(=O)NC2=O ZINC001031091218 656349094 /nfs/dbraw/zinc/34/90/94/656349094.db2.gz SWWNVDKXBUMPMB-UHFFFAOYSA-N 1 2 282.300 -2.233 20 0 CAADLO O=C(NC1C[NH+](CCCO)C1)C1CC(=O)NC(=O)C1 ZINC001031099850 656349274 /nfs/dbraw/zinc/34/92/74/656349274.db2.gz XZNBRUIGNJXWNF-UHFFFAOYSA-N 1 2 269.301 -1.778 20 0 CAADLO C[C@H](O)C[NH+]1CC(NC(=O)C[C@H]2CCC(=O)N2)C1 ZINC001031093692 656349304 /nfs/dbraw/zinc/34/93/04/656349304.db2.gz JIJLQYKTTDGVNU-DTWKUNHWSA-N 1 2 255.318 -1.164 20 0 CAADLO C[C@@H]1[C@H](NC(=O)Cn2cnnn2)CCC[N@@H+]1CC(N)=O ZINC000993011990 656349921 /nfs/dbraw/zinc/34/99/21/656349921.db2.gz JGBUUUTVXWDLQV-RKDXNWHRSA-N 1 2 281.320 -1.873 20 0 CAADLO C[C@@H]1[C@H](NC(=O)Cn2cnnn2)CCC[N@H+]1CC(N)=O ZINC000993011990 656349922 /nfs/dbraw/zinc/34/99/22/656349922.db2.gz JGBUUUTVXWDLQV-RKDXNWHRSA-N 1 2 281.320 -1.873 20 0 CAADLO Cc1nn[nH]c1C(=O)N[C@@H]1CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001015479449 656350156 /nfs/dbraw/zinc/35/01/56/656350156.db2.gz JPLYOWIWVBVHJV-BDAKNGLRSA-N 1 2 278.316 -1.194 20 0 CAADLO Cc1nn[nH]c1C(=O)N[C@@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001015479449 656350158 /nfs/dbraw/zinc/35/01/58/656350158.db2.gz JPLYOWIWVBVHJV-BDAKNGLRSA-N 1 2 278.316 -1.194 20 0 CAADLO O=C(CN1CC(=O)NC1=O)NC1C[NH+](CCCO)C1 ZINC001031113989 656350270 /nfs/dbraw/zinc/35/02/70/656350270.db2.gz WXOOPBPSOCKELI-UHFFFAOYSA-N 1 2 270.289 -2.279 20 0 CAADLO CO[C@H](C)C[NH+]1CC(NC(=O)CN2CC(=O)NC2=O)C1 ZINC001031116984 656350701 /nfs/dbraw/zinc/35/07/01/656350701.db2.gz FNGXICXJKMWXJF-MRVPVSSYSA-N 1 2 284.316 -1.627 20 0 CAADLO Cn1nnnc1CN1CC(NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001031145818 656351571 /nfs/dbraw/zinc/35/15/71/656351571.db2.gz VCNQVUIOTJXACV-UHFFFAOYSA-N 1 2 276.304 -1.524 20 0 CAADLO CN(C)C(=O)CN1CC(NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001031145040 656351580 /nfs/dbraw/zinc/35/15/80/656351580.db2.gz ICWBMWXWCQXGSD-UHFFFAOYSA-N 1 2 265.317 -1.159 20 0 CAADLO CN1N=C(C(=O)NC[C@H](O)C[NH+]2CCOCC2)CCC1=O ZINC000914536897 656351755 /nfs/dbraw/zinc/35/17/55/656351755.db2.gz LYGRTNLDIHLZSC-JTQLQIEISA-N 1 2 298.343 -1.596 20 0 CAADLO CN1CC[C@@H](N2CC(NC(=O)Cc3[nH]cc[nH+]3)C2)C1=O ZINC001031146223 656351857 /nfs/dbraw/zinc/35/18/57/656351857.db2.gz CYILYOHGXFZXFA-SNVBAGLBSA-N 1 2 277.328 -1.017 20 0 CAADLO CN1CC[C@H](N2CC(NC(=O)Cc3[nH]cc[nH+]3)C2)C1=O ZINC001031146222 656351984 /nfs/dbraw/zinc/35/19/84/656351984.db2.gz CYILYOHGXFZXFA-JTQLQIEISA-N 1 2 277.328 -1.017 20 0 CAADLO Cn1nnc(C(=O)N[C@H]2CC[N@@H+]([C@@H]3CCN(C)C3=O)C2)n1 ZINC001015548225 656352407 /nfs/dbraw/zinc/35/24/07/656352407.db2.gz BFOSFDPBOCJFFU-DTWKUNHWSA-N 1 2 293.331 -1.755 20 0 CAADLO Cn1nnc(C(=O)N[C@H]2CC[N@H+]([C@@H]3CCN(C)C3=O)C2)n1 ZINC001015548225 656352411 /nfs/dbraw/zinc/35/24/11/656352411.db2.gz BFOSFDPBOCJFFU-DTWKUNHWSA-N 1 2 293.331 -1.755 20 0 CAADLO CCOCCOCC[N@@H+]1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC000929842164 656352509 /nfs/dbraw/zinc/35/25/09/656352509.db2.gz FWLDJPPZDWYYKQ-LLVKDONJSA-N 1 2 285.344 -1.318 20 0 CAADLO CCOCCOCC[N@H+]1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC000929842164 656352510 /nfs/dbraw/zinc/35/25/10/656352510.db2.gz FWLDJPPZDWYYKQ-LLVKDONJSA-N 1 2 285.344 -1.318 20 0 CAADLO Cn1nnc(C(=O)N[C@H]2CC[N@H+](Cc3ccnn3C)C2)n1 ZINC001015548253 656352611 /nfs/dbraw/zinc/35/26/11/656352611.db2.gz BGUHEKKPANFLLG-VIFPVBQESA-N 1 2 290.331 -1.052 20 0 CAADLO Cn1nnc(C(=O)N[C@H]2CC[N@@H+](Cc3ccnn3C)C2)n1 ZINC001015548253 656352613 /nfs/dbraw/zinc/35/26/13/656352613.db2.gz BGUHEKKPANFLLG-VIFPVBQESA-N 1 2 290.331 -1.052 20 0 CAADLO CC1(C)C(=O)NC(=O)N1CC(=O)NC1C[NH+](CCCO)C1 ZINC001031200536 656354224 /nfs/dbraw/zinc/35/42/24/656354224.db2.gz OOVRQQRHIPWBOQ-UHFFFAOYSA-N 1 2 298.343 -1.500 20 0 CAADLO COCC[NH+]1CC(NC(=O)CN2C(=O)NC(=O)C2(C)C)C1 ZINC001031199914 656354521 /nfs/dbraw/zinc/35/45/21/656354521.db2.gz BYVIONZAKWMLOT-UHFFFAOYSA-N 1 2 298.343 -1.236 20 0 CAADLO COCC[NH+]1CC(NC(=O)CN2CCC(=O)NC2=O)C1 ZINC001031211862 656354900 /nfs/dbraw/zinc/35/49/00/656354900.db2.gz VGMZZJKTGROVPT-UHFFFAOYSA-N 1 2 284.316 -1.625 20 0 CAADLO C[C@@H](O)C[NH+]1CC(NC(=O)CN2CCC(=O)NC2=O)C1 ZINC001031211632 656354984 /nfs/dbraw/zinc/35/49/84/656354984.db2.gz ORFLVAOVTKHQBB-MRVPVSSYSA-N 1 2 284.316 -1.891 20 0 CAADLO COC[C@@H](C)[NH+]1CC(NC(=O)CN2CCC(=O)NC2=O)C1 ZINC001031211845 656355178 /nfs/dbraw/zinc/35/51/78/656355178.db2.gz UNEXQKYQMMFPLJ-SECBINFHSA-N 1 2 298.343 -1.236 20 0 CAADLO O=C(CN1CCC(=O)NC1=O)NC1C[NH+](CCCO)C1 ZINC001031211384 656355279 /nfs/dbraw/zinc/35/52/79/656355279.db2.gz KCWIZDWUIBJLEE-UHFFFAOYSA-N 1 2 284.316 -1.889 20 0 CAADLO CC1CCN(C(=O)C[N@@H+]2CC[C@H](NC(=O)C(N)=O)C2)CC1 ZINC001015636663 656356402 /nfs/dbraw/zinc/35/64/02/656356402.db2.gz CEDYEPDKGOBTTC-NSHDSACASA-N 1 2 296.371 -1.079 20 0 CAADLO CC1CCN(C(=O)C[N@H+]2CC[C@H](NC(=O)C(N)=O)C2)CC1 ZINC001015636663 656356407 /nfs/dbraw/zinc/35/64/07/656356407.db2.gz CEDYEPDKGOBTTC-NSHDSACASA-N 1 2 296.371 -1.079 20 0 CAADLO CC1CCN(C(=O)C[N@@H+]2CC[C@@H](NC(=O)C(N)=O)C2)CC1 ZINC001015636662 656356727 /nfs/dbraw/zinc/35/67/27/656356727.db2.gz CEDYEPDKGOBTTC-LLVKDONJSA-N 1 2 296.371 -1.079 20 0 CAADLO CC1CCN(C(=O)C[N@H+]2CC[C@@H](NC(=O)C(N)=O)C2)CC1 ZINC001015636662 656356729 /nfs/dbraw/zinc/35/67/29/656356729.db2.gz CEDYEPDKGOBTTC-LLVKDONJSA-N 1 2 296.371 -1.079 20 0 CAADLO CC(=O)N1CC(C(=O)N[C@H]2CCC[N@H+](CC(N)=O)[C@H]2C)C1 ZINC000993272127 656356897 /nfs/dbraw/zinc/35/68/97/656356897.db2.gz YSJGFAALSZNTHO-CABZTGNLSA-N 1 2 296.371 -1.081 20 0 CAADLO CC(=O)N1CC(C(=O)N[C@H]2CCC[N@@H+](CC(N)=O)[C@H]2C)C1 ZINC000993272127 656356901 /nfs/dbraw/zinc/35/69/01/656356901.db2.gz YSJGFAALSZNTHO-CABZTGNLSA-N 1 2 296.371 -1.081 20 0 CAADLO Cn1c[nH+]cc1CN1CC[C@H](NC(=O)C(N)=O)C1 ZINC001015637864 656357031 /nfs/dbraw/zinc/35/70/31/656357031.db2.gz SYWRSXCKLNNNEH-QMMMGPOBSA-N 1 2 251.290 -1.404 20 0 CAADLO Cn1cncc1C[N@@H+]1CC[C@H](NC(=O)C(N)=O)C1 ZINC001015637864 656357034 /nfs/dbraw/zinc/35/70/34/656357034.db2.gz SYWRSXCKLNNNEH-QMMMGPOBSA-N 1 2 251.290 -1.404 20 0 CAADLO Cn1cncc1C[N@H+]1CC[C@H](NC(=O)C(N)=O)C1 ZINC001015637864 656357039 /nfs/dbraw/zinc/35/70/39/656357039.db2.gz SYWRSXCKLNNNEH-QMMMGPOBSA-N 1 2 251.290 -1.404 20 0 CAADLO NC(=O)C(=O)N[C@@H]1CC[N@@H+]([C@H]2CCN(C3CCC3)C2=O)C1 ZINC001015639511 656357508 /nfs/dbraw/zinc/35/75/08/656357508.db2.gz FCPPPUXTBXOMBQ-KOLCDFICSA-N 1 2 294.355 -1.184 20 0 CAADLO NC(=O)C(=O)N[C@@H]1CC[N@H+]([C@H]2CCN(C3CCC3)C2=O)C1 ZINC001015639511 656357511 /nfs/dbraw/zinc/35/75/11/656357511.db2.gz FCPPPUXTBXOMBQ-KOLCDFICSA-N 1 2 294.355 -1.184 20 0 CAADLO Cc1nccnc1C[N@@H+]1CC[C@H](NC(=O)C(N)=O)C1 ZINC001015640898 656357520 /nfs/dbraw/zinc/35/75/20/656357520.db2.gz UHKVMLPLWJIDTB-VIFPVBQESA-N 1 2 263.301 -1.039 20 0 CAADLO Cc1nccnc1C[N@H+]1CC[C@H](NC(=O)C(N)=O)C1 ZINC001015640898 656357524 /nfs/dbraw/zinc/35/75/24/656357524.db2.gz UHKVMLPLWJIDTB-VIFPVBQESA-N 1 2 263.301 -1.039 20 0 CAADLO NC(=O)N1CCCC[C@H]1C(=O)NC1C[NH+](CCO)C1 ZINC001031233399 656357533 /nfs/dbraw/zinc/35/75/33/656357533.db2.gz FKJVFSHMEMPEKM-JTQLQIEISA-N 1 2 270.333 -1.288 20 0 CAADLO C[C@H]1[C@@H](NC(=O)c2ncn(C)n2)CCC[N@@H+]1CC(N)=O ZINC000993301037 656357575 /nfs/dbraw/zinc/35/75/75/656357575.db2.gz QAHNPZCZEXBNDJ-IUCAKERBSA-N 1 2 280.332 -1.117 20 0 CAADLO C[C@H]1[C@@H](NC(=O)c2ncn(C)n2)CCC[N@H+]1CC(N)=O ZINC000993301037 656357578 /nfs/dbraw/zinc/35/75/78/656357578.db2.gz QAHNPZCZEXBNDJ-IUCAKERBSA-N 1 2 280.332 -1.117 20 0 CAADLO NC(=O)N1CCCC[C@@H]1C(=O)NC1C[NH+](CCO)C1 ZINC001031233400 656357706 /nfs/dbraw/zinc/35/77/06/656357706.db2.gz FKJVFSHMEMPEKM-SNVBAGLBSA-N 1 2 270.333 -1.288 20 0 CAADLO NC(=O)C(=O)N[C@@H]1CC[N@@H+]([C@H]2CCCNC2=O)C1 ZINC001015640921 656357811 /nfs/dbraw/zinc/35/78/11/656357811.db2.gz UUWZKCVAZKGZFX-SFYZADRCSA-N 1 2 254.290 -2.059 20 0 CAADLO NC(=O)C(=O)N[C@@H]1CC[N@H+]([C@H]2CCCNC2=O)C1 ZINC001015640921 656357815 /nfs/dbraw/zinc/35/78/15/656357815.db2.gz UUWZKCVAZKGZFX-SFYZADRCSA-N 1 2 254.290 -2.059 20 0 CAADLO C[C@H](C(=O)NC1CC1)[N@@H+]1CC[C@@H](NC(=O)C(N)=O)C1 ZINC001015641248 656357847 /nfs/dbraw/zinc/35/78/47/656357847.db2.gz GTYDWIAYCMRRSG-VXNVDRBHSA-N 1 2 268.317 -1.671 20 0 CAADLO C[C@H](C(=O)NC1CC1)[N@H+]1CC[C@@H](NC(=O)C(N)=O)C1 ZINC001015641248 656357852 /nfs/dbraw/zinc/35/78/52/656357852.db2.gz GTYDWIAYCMRRSG-VXNVDRBHSA-N 1 2 268.317 -1.671 20 0 CAADLO COc1c(=O)[nH]c(=O)[nH]c1C(=O)NC1C[NH+](C[C@@H](C)O)C1 ZINC001031250013 656357995 /nfs/dbraw/zinc/35/79/95/656357995.db2.gz PMOQERGUFHIGQV-ZCFIWIBFSA-N 1 2 298.299 -1.309 20 0 CAADLO COc1c(=O)[nH]c(=O)[nH]c1C(=O)NC1C[NH+](CCO)C1 ZINC001031249943 656358203 /nfs/dbraw/zinc/35/82/03/656358203.db2.gz MFDKVINPTCSWIA-UHFFFAOYSA-N 1 2 284.272 -1.697 20 0 CAADLO CN1C(=O)CN(CC(=O)NC2C[NH+](CCCO)C2)C1=O ZINC001031247413 656358447 /nfs/dbraw/zinc/35/84/47/656358447.db2.gz JSOUKBCNPZFZMS-UHFFFAOYSA-N 1 2 284.316 -1.937 20 0 CAADLO C[C@H]1[C@@H](NC(=O)C2CS(=O)(=O)C2)CCC[N@@H+]1CCO ZINC000993371396 656358540 /nfs/dbraw/zinc/35/85/40/656358540.db2.gz XNJLZBOWVFFMGI-ONGXEEELSA-N 1 2 290.385 -1.008 20 0 CAADLO C[C@H]1[C@@H](NC(=O)C2CS(=O)(=O)C2)CCC[N@H+]1CCO ZINC000993371396 656358545 /nfs/dbraw/zinc/35/85/45/656358545.db2.gz XNJLZBOWVFFMGI-ONGXEEELSA-N 1 2 290.385 -1.008 20 0 CAADLO C[C@H](C(N)=O)N1CC(NC(=O)Cc2c[nH+]cn2C)C1 ZINC001031259209 656358692 /nfs/dbraw/zinc/35/86/92/656358692.db2.gz YHYJJBUIMCBWMC-MRVPVSSYSA-N 1 2 265.317 -1.363 20 0 CAADLO C[C@H]1[C@@H](NC(=O)Cn2nccn2)CCC[N@@H+]1CC(N)=O ZINC000993373085 656358786 /nfs/dbraw/zinc/35/87/86/656358786.db2.gz GCMQJIQNVLWPAV-UWVGGRQHSA-N 1 2 280.332 -1.268 20 0 CAADLO C[C@H]1[C@@H](NC(=O)Cn2nccn2)CCC[N@H+]1CC(N)=O ZINC000993373085 656358802 /nfs/dbraw/zinc/35/88/02/656358802.db2.gz GCMQJIQNVLWPAV-UWVGGRQHSA-N 1 2 280.332 -1.268 20 0 CAADLO O=C(NC1C[NH+](CCCO)C1)c1cc(=O)n2[nH]cnc2n1 ZINC001031252577 656358838 /nfs/dbraw/zinc/35/88/38/656358838.db2.gz JAQXQXRRZMMIRX-UHFFFAOYSA-N 1 2 292.299 -1.786 20 0 CAADLO C[C@H]1[C@@H](NC(=O)Cn2ncnn2)CCC[N@@H+]1CC(N)=O ZINC000993356389 656358897 /nfs/dbraw/zinc/35/88/97/656358897.db2.gz WRXDMPQJFLVJOR-IUCAKERBSA-N 1 2 281.320 -1.873 20 0 CAADLO C[C@H]1[C@@H](NC(=O)Cn2ncnn2)CCC[N@H+]1CC(N)=O ZINC000993356389 656358902 /nfs/dbraw/zinc/35/89/02/656358902.db2.gz WRXDMPQJFLVJOR-IUCAKERBSA-N 1 2 281.320 -1.873 20 0 CAADLO C[C@H]1[C@H](NC(=O)C2CS(=O)(=O)C2)CCC[N@@H+]1CCO ZINC000993371390 656358931 /nfs/dbraw/zinc/35/89/31/656358931.db2.gz XNJLZBOWVFFMGI-GXSJLCMTSA-N 1 2 290.385 -1.008 20 0 CAADLO C[C@H]1[C@H](NC(=O)C2CS(=O)(=O)C2)CCC[N@H+]1CCO ZINC000993371390 656358934 /nfs/dbraw/zinc/35/89/34/656358934.db2.gz XNJLZBOWVFFMGI-GXSJLCMTSA-N 1 2 290.385 -1.008 20 0 CAADLO C[C@@H](O)C[NH+]1CC(NC(=O)c2cc(=O)n3[nH]cnc3n2)C1 ZINC001031251121 656359023 /nfs/dbraw/zinc/35/90/23/656359023.db2.gz DIMMOLOKGSIVSI-SSDOTTSWSA-N 1 2 292.299 -1.788 20 0 CAADLO C[C@@H]1[C@@H](NC(=O)C2CS(=O)(=O)C2)CCC[N@@H+]1CCO ZINC000993371393 656359077 /nfs/dbraw/zinc/35/90/77/656359077.db2.gz XNJLZBOWVFFMGI-KOLCDFICSA-N 1 2 290.385 -1.008 20 0 CAADLO C[C@@H]1[C@@H](NC(=O)C2CS(=O)(=O)C2)CCC[N@H+]1CCO ZINC000993371393 656359080 /nfs/dbraw/zinc/35/90/80/656359080.db2.gz XNJLZBOWVFFMGI-KOLCDFICSA-N 1 2 290.385 -1.008 20 0 CAADLO C[C@H](O)C[NH+]1CC(NC(=O)c2cc(=O)n3[nH]cnc3n2)C1 ZINC001031251122 656359201 /nfs/dbraw/zinc/35/92/01/656359201.db2.gz DIMMOLOKGSIVSI-ZETCQYMHSA-N 1 2 292.299 -1.788 20 0 CAADLO CNC(=O)[C@H](C)N1CC(NC(=O)Cc2c[nH+]cn2C)C1 ZINC001031258746 656359779 /nfs/dbraw/zinc/35/97/79/656359779.db2.gz RGWHBGRYOCARAL-VIFPVBQESA-N 1 2 279.344 -1.103 20 0 CAADLO CN1CCOC[C@H]1C(=O)N[C@H]1CCC[N@H+](CC(N)=O)C1 ZINC001007153397 656360344 /nfs/dbraw/zinc/36/03/44/656360344.db2.gz BGBRRCRBQOJTQQ-QWRGUYRKSA-N 1 2 284.360 -1.617 20 0 CAADLO CN1CCOC[C@H]1C(=O)N[C@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001007153397 656360345 /nfs/dbraw/zinc/36/03/45/656360345.db2.gz BGBRRCRBQOJTQQ-QWRGUYRKSA-N 1 2 284.360 -1.617 20 0 CAADLO CNC(=O)C[N@@H+]1CCC[C@H](NC(=O)c2nnn(C)n2)[C@H]1C ZINC000993686221 656360810 /nfs/dbraw/zinc/36/08/10/656360810.db2.gz JIBKNKLQCSLIMY-BDAKNGLRSA-N 1 2 295.347 -1.461 20 0 CAADLO CNC(=O)C[N@H+]1CCC[C@H](NC(=O)c2nnn(C)n2)[C@H]1C ZINC000993686221 656360814 /nfs/dbraw/zinc/36/08/14/656360814.db2.gz JIBKNKLQCSLIMY-BDAKNGLRSA-N 1 2 295.347 -1.461 20 0 CAADLO CNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)c2nnn(C)n2)[C@@H]1C ZINC000993686223 656360836 /nfs/dbraw/zinc/36/08/36/656360836.db2.gz JIBKNKLQCSLIMY-DTWKUNHWSA-N 1 2 295.347 -1.461 20 0 CAADLO CNC(=O)C[N@H+]1CCC[C@@H](NC(=O)c2nnn(C)n2)[C@@H]1C ZINC000993686223 656360837 /nfs/dbraw/zinc/36/08/37/656360837.db2.gz JIBKNKLQCSLIMY-DTWKUNHWSA-N 1 2 295.347 -1.461 20 0 CAADLO C[C@@H]1[C@@H](NC(=O)C(N)=O)CCC[N@@H+]1CC(=O)N(C)C ZINC000993739384 656361262 /nfs/dbraw/zinc/36/12/62/656361262.db2.gz DBODUPWRTZVKRT-BDAKNGLRSA-N 1 2 270.333 -1.471 20 0 CAADLO C[C@@H]1[C@@H](NC(=O)C(N)=O)CCC[N@H+]1CC(=O)N(C)C ZINC000993739384 656361265 /nfs/dbraw/zinc/36/12/65/656361265.db2.gz DBODUPWRTZVKRT-BDAKNGLRSA-N 1 2 270.333 -1.471 20 0 CAADLO C[C@H]1[C@@H](NC(=O)c2c[nH]c(=O)cn2)CCC[N@@H+]1CC(N)=O ZINC000993733745 656361367 /nfs/dbraw/zinc/36/13/67/656361367.db2.gz ZCHXUPKYMXWGMP-IUCAKERBSA-N 1 2 293.327 -1.162 20 0 CAADLO C[C@H]1[C@@H](NC(=O)c2c[nH]c(=O)cn2)CCC[N@H+]1CC(N)=O ZINC000993733745 656361370 /nfs/dbraw/zinc/36/13/70/656361370.db2.gz ZCHXUPKYMXWGMP-IUCAKERBSA-N 1 2 293.327 -1.162 20 0 CAADLO C[C@H]1[C@H](NC(=O)C(N)=O)CCC[N@@H+]1CC(=O)NC1CC1 ZINC000993744818 656361478 /nfs/dbraw/zinc/36/14/78/656361478.db2.gz KXEGVOIXOZOOTG-WCBMZHEXSA-N 1 2 282.344 -1.281 20 0 CAADLO C[C@H]1[C@H](NC(=O)C(N)=O)CCC[N@H+]1CC(=O)NC1CC1 ZINC000993744818 656361482 /nfs/dbraw/zinc/36/14/82/656361482.db2.gz KXEGVOIXOZOOTG-WCBMZHEXSA-N 1 2 282.344 -1.281 20 0 CAADLO CNC(=O)C[N@@H+]1CCC[C@H](NC(=O)C(N)=O)[C@H]1C ZINC000993743539 656361513 /nfs/dbraw/zinc/36/15/13/656361513.db2.gz JKFPXOPCTQCRGG-SFYZADRCSA-N 1 2 256.306 -1.813 20 0 CAADLO CNC(=O)C[N@H+]1CCC[C@H](NC(=O)C(N)=O)[C@H]1C ZINC000993743539 656361515 /nfs/dbraw/zinc/36/15/15/656361515.db2.gz JKFPXOPCTQCRGG-SFYZADRCSA-N 1 2 256.306 -1.813 20 0 CAADLO C[C@@H]1[C@H](NC(=O)C(N)=O)CCC[N@@H+]1CC(=O)N1CCC1 ZINC000993743533 656361522 /nfs/dbraw/zinc/36/15/22/656361522.db2.gz JIOMBIGZLYOVNP-NXEZZACHSA-N 1 2 282.344 -1.327 20 0 CAADLO C[C@@H]1[C@H](NC(=O)C(N)=O)CCC[N@H+]1CC(=O)N1CCC1 ZINC000993743533 656361525 /nfs/dbraw/zinc/36/15/25/656361525.db2.gz JIOMBIGZLYOVNP-NXEZZACHSA-N 1 2 282.344 -1.327 20 0 CAADLO C[C@@H]1[C@@H](NC(=O)C(N)=O)CCC[N@@H+]1CC(=O)NC1CC1 ZINC000993744810 656361559 /nfs/dbraw/zinc/36/15/59/656361559.db2.gz KXEGVOIXOZOOTG-SCZZXKLOSA-N 1 2 282.344 -1.281 20 0 CAADLO C[C@@H]1[C@@H](NC(=O)C(N)=O)CCC[N@H+]1CC(=O)NC1CC1 ZINC000993744810 656361561 /nfs/dbraw/zinc/36/15/61/656361561.db2.gz KXEGVOIXOZOOTG-SCZZXKLOSA-N 1 2 282.344 -1.281 20 0 CAADLO C[C@@H]1[C@H](NC(=O)C(N)=O)CCC[N@@H+]1CC(=O)NC1CC1 ZINC000993744798 656361599 /nfs/dbraw/zinc/36/15/99/656361599.db2.gz KXEGVOIXOZOOTG-PSASIEDQSA-N 1 2 282.344 -1.281 20 0 CAADLO C[C@@H]1[C@H](NC(=O)C(N)=O)CCC[N@H+]1CC(=O)NC1CC1 ZINC000993744798 656361601 /nfs/dbraw/zinc/36/16/01/656361601.db2.gz KXEGVOIXOZOOTG-PSASIEDQSA-N 1 2 282.344 -1.281 20 0 CAADLO C[C@H]1[C@@H](NC(=O)C(N)=O)CCC[N@@H+]1CC(=O)N(C)C ZINC000993739392 656361646 /nfs/dbraw/zinc/36/16/46/656361646.db2.gz DBODUPWRTZVKRT-IUCAKERBSA-N 1 2 270.333 -1.471 20 0 CAADLO C[C@H]1[C@@H](NC(=O)C(N)=O)CCC[N@H+]1CC(=O)N(C)C ZINC000993739392 656361648 /nfs/dbraw/zinc/36/16/48/656361648.db2.gz DBODUPWRTZVKRT-IUCAKERBSA-N 1 2 270.333 -1.471 20 0 CAADLO O=C(C1CC(=O)NC(=O)C1)N1CC[NH+](CCO)CC1 ZINC000267938409 656362069 /nfs/dbraw/zinc/36/20/69/656362069.db2.gz IBTXBRKBEONALL-UHFFFAOYSA-N 1 2 269.301 -1.824 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCCC(=O)N2)C1 ZINC001015686277 656362111 /nfs/dbraw/zinc/36/21/11/656362111.db2.gz YJQPUIRYZWHMOV-MNOVXSKESA-N 1 2 296.371 -1.018 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCCC(=O)N2)C1 ZINC001015686277 656362112 /nfs/dbraw/zinc/36/21/12/656362112.db2.gz YJQPUIRYZWHMOV-MNOVXSKESA-N 1 2 296.371 -1.018 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCCC(=O)N2)C1 ZINC001015686276 656362308 /nfs/dbraw/zinc/36/23/08/656362308.db2.gz YJQPUIRYZWHMOV-GHMZBOCLSA-N 1 2 296.371 -1.018 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CCCCC(=O)N2)C1 ZINC001015686276 656362311 /nfs/dbraw/zinc/36/23/11/656362311.db2.gz YJQPUIRYZWHMOV-GHMZBOCLSA-N 1 2 296.371 -1.018 20 0 CAADLO C[C@H]1[C@H](NC(=O)c2cnn(C)n2)CCC[N@@H+]1CC(N)=O ZINC000994000358 656362680 /nfs/dbraw/zinc/36/26/80/656362680.db2.gz YFAZPCKXIJAEGI-DTWKUNHWSA-N 1 2 280.332 -1.117 20 0 CAADLO C[C@H]1[C@H](NC(=O)c2cnn(C)n2)CCC[N@H+]1CC(N)=O ZINC000994000358 656362683 /nfs/dbraw/zinc/36/26/83/656362683.db2.gz YFAZPCKXIJAEGI-DTWKUNHWSA-N 1 2 280.332 -1.117 20 0 CAADLO C[C@H]1[C@@H](NC(=O)c2cnn(C)n2)CCC[N@@H+]1CC(N)=O ZINC000994000362 656362903 /nfs/dbraw/zinc/36/29/03/656362903.db2.gz YFAZPCKXIJAEGI-IUCAKERBSA-N 1 2 280.332 -1.117 20 0 CAADLO C[C@H]1[C@@H](NC(=O)c2cnn(C)n2)CCC[N@H+]1CC(N)=O ZINC000994000362 656362905 /nfs/dbraw/zinc/36/29/05/656362905.db2.gz YFAZPCKXIJAEGI-IUCAKERBSA-N 1 2 280.332 -1.117 20 0 CAADLO Cc1[nH+]c[nH]c1CC(=O)NC1CN([C@H]2CCNC2=O)C1 ZINC001031313307 656363954 /nfs/dbraw/zinc/36/39/54/656363954.db2.gz ICOQUVPQWOCNNX-NSHDSACASA-N 1 2 277.328 -1.050 20 0 CAADLO Cc1[nH+]c[nH]c1CC(=O)NC1CN(Cc2nnn(C)n2)C1 ZINC001031313619 656363965 /nfs/dbraw/zinc/36/39/65/656363965.db2.gz QXPDDMPGYKKRRX-UHFFFAOYSA-N 1 2 290.331 -1.215 20 0 CAADLO C[C@H]1C[N@H+](CCO)CCN1S(=O)(=O)[C@@H]1COC[C@H]1O ZINC000916182911 656364004 /nfs/dbraw/zinc/36/40/04/656364004.db2.gz YNKCZAVDMLPTFM-HBNTYKKESA-N 1 2 294.373 -1.926 20 0 CAADLO C[C@H]1C[N@@H+](CCO)CCN1S(=O)(=O)[C@@H]1COC[C@H]1O ZINC000916182911 656364007 /nfs/dbraw/zinc/36/40/07/656364007.db2.gz YNKCZAVDMLPTFM-HBNTYKKESA-N 1 2 294.373 -1.926 20 0 CAADLO C[C@@H]1C[N@H+](CCO)CCN1S(=O)(=O)[C@@H]1COC[C@H]1O ZINC000916182908 656364021 /nfs/dbraw/zinc/36/40/21/656364021.db2.gz YNKCZAVDMLPTFM-GMTAPVOTSA-N 1 2 294.373 -1.926 20 0 CAADLO C[C@@H]1C[N@@H+](CCO)CCN1S(=O)(=O)[C@@H]1COC[C@H]1O ZINC000916182908 656364023 /nfs/dbraw/zinc/36/40/23/656364023.db2.gz YNKCZAVDMLPTFM-GMTAPVOTSA-N 1 2 294.373 -1.926 20 0 CAADLO C[NH+]1CCN(NC(=S)NCCN2CCOCC2)CC1 ZINC000916114924 656364141 /nfs/dbraw/zinc/36/41/41/656364141.db2.gz UXTXZGIMGIUMFQ-UHFFFAOYSA-N 1 2 287.433 -1.055 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ccc(C(N)=O)[nH]2)C1 ZINC001015711643 656364368 /nfs/dbraw/zinc/36/43/68/656364368.db2.gz NITAEPFHYIZFNG-MRVPVSSYSA-N 1 2 293.327 -1.336 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2ccc(C(N)=O)[nH]2)C1 ZINC001015711643 656364370 /nfs/dbraw/zinc/36/43/70/656364370.db2.gz NITAEPFHYIZFNG-MRVPVSSYSA-N 1 2 293.327 -1.336 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2ccc(C(N)=O)[nH]2)C1 ZINC001015711644 656364401 /nfs/dbraw/zinc/36/44/01/656364401.db2.gz NITAEPFHYIZFNG-QMMMGPOBSA-N 1 2 293.327 -1.336 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)c2ccc(C(N)=O)[nH]2)C1 ZINC001015711644 656364404 /nfs/dbraw/zinc/36/44/04/656364404.db2.gz NITAEPFHYIZFNG-QMMMGPOBSA-N 1 2 293.327 -1.336 20 0 CAADLO CN(C(=O)CN1CC[NH2+]CC1=O)[C@@H]1CCCCNC1=O ZINC000154128129 656364875 /nfs/dbraw/zinc/36/48/75/656364875.db2.gz PPKLXAXRJUHNOY-SNVBAGLBSA-N 1 2 282.344 -1.455 20 0 CAADLO CN1C(=O)CCC[C@H]1C(=O)NC1C[NH+](CCO)C1 ZINC001031328636 656364905 /nfs/dbraw/zinc/36/49/05/656364905.db2.gz AICHBLSBBCBCBE-JTQLQIEISA-N 1 2 255.318 -1.210 20 0 CAADLO CC(=O)N1CCO[C@H](C(=O)NC2C[NH+](C[C@H](C)O)C2)C1 ZINC001031331644 656365278 /nfs/dbraw/zinc/36/52/78/656365278.db2.gz DTBGBHMXASCATB-CABZTGNLSA-N 1 2 285.344 -1.585 20 0 CAADLO C[N@@H+]1CCO[C@H](CNC(=O)N[C@@H]2COC(=O)C2)C1 ZINC000916884954 656365347 /nfs/dbraw/zinc/36/53/47/656365347.db2.gz ZTLYAPPCSLSZSU-DTWKUNHWSA-N 1 2 257.290 -1.068 20 0 CAADLO C[N@H+]1CCO[C@H](CNC(=O)N[C@@H]2COC(=O)C2)C1 ZINC000916884954 656365351 /nfs/dbraw/zinc/36/53/51/656365351.db2.gz ZTLYAPPCSLSZSU-DTWKUNHWSA-N 1 2 257.290 -1.068 20 0 CAADLO Cc1nn(CC(=O)NC2C[NH+](C[C@@H](C)O)C2)c(=O)n1C ZINC001031333184 656365469 /nfs/dbraw/zinc/36/54/69/656365469.db2.gz DQVFLBPRSLBQEF-MRVPVSSYSA-N 1 2 283.332 -1.929 20 0 CAADLO C[N@@H+]1CCO[C@H](CNC(=O)N2CCOC[C@H]2CO)C1 ZINC000916883669 656365485 /nfs/dbraw/zinc/36/54/85/656365485.db2.gz RPLZCGRCUBJQIE-GHMZBOCLSA-N 1 2 273.333 -1.280 20 0 CAADLO C[N@H+]1CCO[C@H](CNC(=O)N2CCOC[C@H]2CO)C1 ZINC000916883669 656365488 /nfs/dbraw/zinc/36/54/88/656365488.db2.gz RPLZCGRCUBJQIE-GHMZBOCLSA-N 1 2 273.333 -1.280 20 0 CAADLO C[N@@H+]1CCO[C@H](CNC(=O)NC[C@H]2COCO2)C1 ZINC000916882253 656365537 /nfs/dbraw/zinc/36/55/37/656365537.db2.gz HFRKBQKMWZGQHG-ZJUUUORDSA-N 1 2 259.306 -1.011 20 0 CAADLO C[N@H+]1CCO[C@H](CNC(=O)NC[C@H]2COCO2)C1 ZINC000916882253 656365540 /nfs/dbraw/zinc/36/55/40/656365540.db2.gz HFRKBQKMWZGQHG-ZJUUUORDSA-N 1 2 259.306 -1.011 20 0 CAADLO C[N@@H+]1CCO[C@@H](CNC(=O)N[C@@H]2COC(=O)C2)C1 ZINC000916884955 656365608 /nfs/dbraw/zinc/36/56/08/656365608.db2.gz ZTLYAPPCSLSZSU-IUCAKERBSA-N 1 2 257.290 -1.068 20 0 CAADLO C[N@H+]1CCO[C@@H](CNC(=O)N[C@@H]2COC(=O)C2)C1 ZINC000916884955 656365610 /nfs/dbraw/zinc/36/56/10/656365610.db2.gz ZTLYAPPCSLSZSU-IUCAKERBSA-N 1 2 257.290 -1.068 20 0 CAADLO C[N@@H+]1CCO[C@@H](CNC(=O)NC[C@@H]2COCO2)C1 ZINC000916882252 656365726 /nfs/dbraw/zinc/36/57/26/656365726.db2.gz HFRKBQKMWZGQHG-VHSXEESVSA-N 1 2 259.306 -1.011 20 0 CAADLO C[N@H+]1CCO[C@@H](CNC(=O)NC[C@@H]2COCO2)C1 ZINC000916882252 656365729 /nfs/dbraw/zinc/36/57/29/656365729.db2.gz HFRKBQKMWZGQHG-VHSXEESVSA-N 1 2 259.306 -1.011 20 0 CAADLO Cn1nc(C(=O)NC2C[NH+](CCO)C2)ccc1=O ZINC001031355107 656366225 /nfs/dbraw/zinc/36/62/25/656366225.db2.gz OWFWBTLLXTUITF-UHFFFAOYSA-N 1 2 252.274 -1.813 20 0 CAADLO COCC[NH+]1CC(NC(=O)CN2C(=O)CNC2=O)C1 ZINC001031362645 656366683 /nfs/dbraw/zinc/36/66/83/656366683.db2.gz NSRDBLZKTFIJQV-UHFFFAOYSA-N 1 2 270.289 -2.015 20 0 CAADLO C[C@H](O)C[NH+]1CC(NC(=O)CN2C(=O)CNC2=O)C1 ZINC001031363730 656366827 /nfs/dbraw/zinc/36/68/27/656366827.db2.gz PNGPGSBKMNFIKB-ZETCQYMHSA-N 1 2 270.289 -2.281 20 0 CAADLO O=C(CN1C(=O)CNC1=O)NC1C[NH+](CCCO)C1 ZINC001031362733 656366944 /nfs/dbraw/zinc/36/69/44/656366944.db2.gz RWTIXGWKEGWUKV-UHFFFAOYSA-N 1 2 270.289 -2.279 20 0 CAADLO COC[C@H](C)[NH+]1CC(NC(=O)CN2C(=O)CCC2=O)C1 ZINC001031367266 656367081 /nfs/dbraw/zinc/36/70/81/656367081.db2.gz QWEDCVHAKBSZHY-VIFPVBQESA-N 1 2 283.328 -1.029 20 0 CAADLO C[C@H](O)C[NH+]1CC(NC(=O)CN2C(=O)CCC2=O)C1 ZINC001031369296 656367292 /nfs/dbraw/zinc/36/72/92/656367292.db2.gz IUHVVBSLFHJHIO-QMMMGPOBSA-N 1 2 269.301 -1.683 20 0 CAADLO NC(=O)N1CCC(C(=O)NC2C[NH+](CCO)C2)CC1 ZINC001031368057 656367297 /nfs/dbraw/zinc/36/72/97/656367297.db2.gz BWPNHJBVBVJOHU-UHFFFAOYSA-N 1 2 270.333 -1.430 20 0 CAADLO C[C@H](O)C[NH+]1CC(NC(=O)C2CCN(C(N)=O)CC2)C1 ZINC001031367572 656367334 /nfs/dbraw/zinc/36/73/34/656367334.db2.gz GMGWKXTUKRHSGU-VIFPVBQESA-N 1 2 284.360 -1.042 20 0 CAADLO O=C(CN1C(=O)CCC1=O)NC1C[NH+](CCO)C1 ZINC001031366917 656367425 /nfs/dbraw/zinc/36/74/25/656367425.db2.gz FBTOKWYRTUYCLT-UHFFFAOYSA-N 1 2 255.274 -2.072 20 0 CAADLO NC(=O)N1CCC(C(=O)NC2C[NH+](CCCO)C2)CC1 ZINC001031368477 656367498 /nfs/dbraw/zinc/36/74/98/656367498.db2.gz UEEFBEBONJHCCH-UHFFFAOYSA-N 1 2 284.360 -1.040 20 0 CAADLO O=C(Cn1ccccc1=O)NC1C[NH+](CCO)C1 ZINC001031372332 656367514 /nfs/dbraw/zinc/36/75/14/656367514.db2.gz YLHXHKOXPXSPSP-UHFFFAOYSA-N 1 2 251.286 -1.359 20 0 CAADLO O=S(=O)(CCn1cc[nH+]c1)N1CCOC[C@H]1CO ZINC000917275170 656367768 /nfs/dbraw/zinc/36/77/68/656367768.db2.gz IRJZCMSGCQESDQ-SNVBAGLBSA-N 1 2 275.330 -1.094 20 0 CAADLO C[C@@H](O)C[NH+]1CC(NC(=O)c2c[nH]c(C(N)=O)c2)C1 ZINC001031393666 656368226 /nfs/dbraw/zinc/36/82/26/656368226.db2.gz WABWDWSLNCFNBQ-SSDOTTSWSA-N 1 2 266.301 -1.092 20 0 CAADLO COC[C@H](C)[NH+]1CC(NC(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001031402740 656369019 /nfs/dbraw/zinc/36/90/19/656369019.db2.gz PCKSSTDEKSPSDX-WCBMZHEXSA-N 1 2 291.373 -1.487 20 0 CAADLO C[C@H](O)C[NH+]1CC(NC(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001031402224 656369129 /nfs/dbraw/zinc/36/91/29/656369129.db2.gz CWPXFZFZFLZVRP-CBAPKCEASA-N 1 2 277.346 -2.141 20 0 CAADLO C[C@@H](O)C[NH+]1CC(NC(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001031402223 656369187 /nfs/dbraw/zinc/36/91/87/656369187.db2.gz CWPXFZFZFLZVRP-APPZFPTMSA-N 1 2 277.346 -2.141 20 0 CAADLO CO[C@@H](C)C[NH+]1CC(NC(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001031402820 656369244 /nfs/dbraw/zinc/36/92/44/656369244.db2.gz RJLJGRPBPIENKX-WCBMZHEXSA-N 1 2 291.373 -1.487 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001015770914 656369793 /nfs/dbraw/zinc/36/97/93/656369793.db2.gz VJTLHLQYWYJSPB-YUMQZZPRSA-N 1 2 297.315 -2.479 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001015770914 656369794 /nfs/dbraw/zinc/36/97/94/656369794.db2.gz VJTLHLQYWYJSPB-YUMQZZPRSA-N 1 2 297.315 -2.479 20 0 CAADLO CC[NH+]1CC(NC(=O)c2cn(CC(=O)N(C)C)nn2)C1 ZINC001031438641 656370166 /nfs/dbraw/zinc/37/01/66/656370166.db2.gz NNFAVBFPFPZVQQ-UHFFFAOYSA-N 1 2 280.332 -1.200 20 0 CAADLO NC(=O)Cn1cc(C(=O)NC2C[NH+](CCCF)C2)nn1 ZINC001031438713 656370295 /nfs/dbraw/zinc/37/02/95/656370295.db2.gz QOMFGSUZYIBWGZ-UHFFFAOYSA-N 1 2 284.295 -1.463 20 0 CAADLO COC[C@H](C)[NH+]1CC(NC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001031438620 656370547 /nfs/dbraw/zinc/37/05/47/656370547.db2.gz MOJKIZJTBOOHJA-QMMMGPOBSA-N 1 2 296.331 -1.788 20 0 CAADLO C[C@H](F)CC[NH+]1CC(NC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001031438612 656370551 /nfs/dbraw/zinc/37/05/51/656370551.db2.gz MGBGFIPCHIZNAU-QMMMGPOBSA-N 1 2 298.322 -1.075 20 0 CAADLO CO[C@H](C)C[NH+]1CC(NC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001031438901 656370994 /nfs/dbraw/zinc/37/09/94/656370994.db2.gz ZQAICWGFMZNGOM-MRVPVSSYSA-N 1 2 296.331 -1.788 20 0 CAADLO NC(=O)C(=O)N1CC(NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC000994565497 656371294 /nfs/dbraw/zinc/37/12/94/656371294.db2.gz VWWRQCLKJDXFKO-QMMMGPOBSA-N 1 2 291.311 -1.742 20 0 CAADLO CC(=O)N1CCC[C@@H]1C(=O)NC1C[NH+](CCO)C1 ZINC001031453412 656371418 /nfs/dbraw/zinc/37/14/18/656371418.db2.gz WIZGGFXYJHPKCG-LLVKDONJSA-N 1 2 255.318 -1.210 20 0 CAADLO C[C@H](O)C[NH+]1CC(NC(=O)c2cccc(C(N)=O)n2)C1 ZINC001031457027 656371638 /nfs/dbraw/zinc/37/16/38/656371638.db2.gz WGCNRLXBDNEKHH-QMMMGPOBSA-N 1 2 278.312 -1.025 20 0 CAADLO O=C(Cn1cc[nH+]c1)NC1CN([C@H]2CCNC2=O)C1 ZINC001031476307 656371784 /nfs/dbraw/zinc/37/17/84/656371784.db2.gz HJLRWUGEOWNXQN-JTQLQIEISA-N 1 2 263.301 -1.428 20 0 CAADLO CC[C@@H](C(N)=O)N1CC(NC(=O)Cn2cc[nH+]c2)C1 ZINC001031477299 656371794 /nfs/dbraw/zinc/37/17/94/656371794.db2.gz YHKBNJAAJXOMAH-JTQLQIEISA-N 1 2 265.317 -1.053 20 0 CAADLO CC[C@H](C(N)=O)N1CC(NC(=O)Cn2cc[nH+]c2)C1 ZINC001031477300 656371875 /nfs/dbraw/zinc/37/18/75/656371875.db2.gz YHKBNJAAJXOMAH-SNVBAGLBSA-N 1 2 265.317 -1.053 20 0 CAADLO C[C@@H](C(=O)NC1C[NH+](CCCO)C1)N1CCOCC1 ZINC001031492623 656372151 /nfs/dbraw/zinc/37/21/51/656372151.db2.gz KFWYHSKUBFNTGD-NSHDSACASA-N 1 2 271.361 -1.110 20 0 CAADLO C[C@@H](O)C[NH+]1CC(NC(=O)[C@H](C)N2CCOCC2)C1 ZINC001031492636 656372424 /nfs/dbraw/zinc/37/24/24/656372424.db2.gz LAZSPQMWBCYETP-MNOVXSKESA-N 1 2 271.361 -1.112 20 0 CAADLO C[C@@H](O)C[NH+]1CC(NC(=O)c2cc(C(N)=O)ccn2)C1 ZINC001031499942 656372814 /nfs/dbraw/zinc/37/28/14/656372814.db2.gz DKKXKTILAQPCKX-MRVPVSSYSA-N 1 2 278.312 -1.025 20 0 CAADLO C[C@H](O)C[NH+]1CC(NC(=O)C[C@H]2CC(=O)NC2=O)C1 ZINC001031496995 656372820 /nfs/dbraw/zinc/37/28/20/656372820.db2.gz IHKJTDWBQDHHHT-YUMQZZPRSA-N 1 2 269.301 -1.780 20 0 CAADLO C[C@@H](C(=O)NC1C[NH+](CCO)C1)N1CCOCC1 ZINC001031492953 656372852 /nfs/dbraw/zinc/37/28/52/656372852.db2.gz YQFQLMIGXKGJSL-JTQLQIEISA-N 1 2 257.334 -1.500 20 0 CAADLO COCC[NH+]1CC(NC(=O)C[C@@H]2CC(=O)NC2=O)C1 ZINC001031497425 656372873 /nfs/dbraw/zinc/37/28/73/656372873.db2.gz RWHNMJUWJHUKDR-MRVPVSSYSA-N 1 2 269.301 -1.514 20 0 CAADLO NC(=O)c1ccnc(C(=O)NC2C[NH+](CCCO)C2)c1 ZINC001031500412 656373109 /nfs/dbraw/zinc/37/31/09/656373109.db2.gz WGCHQKRMDDTAAI-UHFFFAOYSA-N 1 2 278.312 -1.023 20 0 CAADLO O=C(C[C@@H]1CC(=O)NC1=O)NC1C[NH+](CCO)C1 ZINC001031497472 656373211 /nfs/dbraw/zinc/37/32/11/656373211.db2.gz SLJLVMUZHDAUDC-SSDOTTSWSA-N 1 2 255.274 -2.168 20 0 CAADLO CNC(=O)C[NH+]1CC(CNC(=O)c2cnn(C)c2)C1 ZINC001031533884 656373377 /nfs/dbraw/zinc/37/33/77/656373377.db2.gz QHQCGVMFJJPJLZ-UHFFFAOYSA-N 1 2 265.317 -1.172 20 0 CAADLO CNC(=O)C[NH+]1CC(CNC(=O)[C@H]2CCCO2)C1 ZINC001031526630 656373552 /nfs/dbraw/zinc/37/35/52/656373552.db2.gz ZLPVTQXLKDCUNF-SNVBAGLBSA-N 1 2 255.318 -1.041 20 0 CAADLO C[C@@H](C(N)=O)[NH+]1CC(CNC(=O)c2ccc(=O)[nH]n2)C1 ZINC001031532605 656373627 /nfs/dbraw/zinc/37/36/27/656373627.db2.gz ZZNBUMJPBRYJNY-ZETCQYMHSA-N 1 2 279.300 -1.282 20 0 CAADLO O=C(NCC1C[NH+]([C@H]2CCNC2=O)C1)c1ccn[nH]1 ZINC001031557747 656374965 /nfs/dbraw/zinc/37/49/65/656374965.db2.gz GCWAFECOUMFGMD-JTQLQIEISA-N 1 2 263.301 -1.040 20 0 CAADLO O=C(NCC1C[NH+]([C@@H]2CCNC2=O)C1)[C@H]1COCCO1 ZINC001031556821 656375025 /nfs/dbraw/zinc/37/50/25/656375025.db2.gz FPHOTOFSWULVBP-GHMZBOCLSA-N 1 2 283.328 -1.662 20 0 CAADLO O=C(C[NH+]1CC(CNC(=O)[C@@H]2COCCO2)C1)NC1CC1 ZINC001031553951 656375148 /nfs/dbraw/zinc/37/51/48/656375148.db2.gz HGLDXOJTFVCYIF-LBPRGKRZSA-N 1 2 297.355 -1.272 20 0 CAADLO Cc1c(C(=O)NCC2C[NH+](CC(N)=O)C2)cnn1C ZINC001031549901 656375169 /nfs/dbraw/zinc/37/51/69/656375169.db2.gz ATQCPHZVOHQYAX-UHFFFAOYSA-N 1 2 265.317 -1.125 20 0 CAADLO O=C(NCC1C[NH+]([C@@H]2CCNC2=O)C1)[C@@H]1COCCO1 ZINC001031556822 656375213 /nfs/dbraw/zinc/37/52/13/656375213.db2.gz FPHOTOFSWULVBP-MNOVXSKESA-N 1 2 283.328 -1.662 20 0 CAADLO CN(C)C(=O)C[NH+]1CC(CNC(=O)[C@H]2COCCO2)C1 ZINC001031554374 656375222 /nfs/dbraw/zinc/37/52/22/656375222.db2.gz UIFSTNFZOXABMD-LLVKDONJSA-N 1 2 285.344 -1.462 20 0 CAADLO C[C@H](C(N)=O)[NH+]1CC(CNC(=O)[C@@H]2COCCO2)C1 ZINC001031556690 656375304 /nfs/dbraw/zinc/37/53/04/656375304.db2.gz BSTHCCFYALMQEL-SCZZXKLOSA-N 1 2 271.317 -1.676 20 0 CAADLO CNC(=O)C[NH+]1CC(CNC(=O)[C@H]2COCCO2)C1 ZINC001031554709 656375324 /nfs/dbraw/zinc/37/53/24/656375324.db2.gz HGQHNKOPGMANCR-SNVBAGLBSA-N 1 2 271.317 -1.804 20 0 CAADLO C[C@@H](C(N)=O)[NH+]1CC(CNC(=O)c2cn[nH]c2)C1 ZINC001031559233 656375597 /nfs/dbraw/zinc/37/55/97/656375597.db2.gz BSMAFQZSZKUGRO-ZETCQYMHSA-N 1 2 251.290 -1.055 20 0 CAADLO C[C@@H](C(N)=O)[NH+]1CC(CNC(=O)c2ccnn2C)C1 ZINC001031570239 656375774 /nfs/dbraw/zinc/37/57/74/656375774.db2.gz OVAXTPJOHRMORO-QMMMGPOBSA-N 1 2 265.317 -1.045 20 0 CAADLO C[C@@H](C(N)=O)[NH+]1CC(CNC(=O)[C@@H]2CCOC2)C1 ZINC001031571327 656375806 /nfs/dbraw/zinc/37/58/06/656375806.db2.gz LDQGITUIISQJLE-WCBMZHEXSA-N 1 2 255.318 -1.055 20 0 CAADLO Cc1cc(C(=O)NCC2C[NH+](CC(N)=O)C2)n(C)n1 ZINC001031568200 656375813 /nfs/dbraw/zinc/37/58/13/656375813.db2.gz SETRFDZWSMKXSL-UHFFFAOYSA-N 1 2 265.317 -1.125 20 0 CAADLO CNC(=O)C[NH+]1CC(CNC(=O)c2cnns2)C1 ZINC001031561546 656375819 /nfs/dbraw/zinc/37/58/19/656375819.db2.gz QZZKBPALBMVUDQ-UHFFFAOYSA-N 1 2 269.330 -1.054 20 0 CAADLO C[C@@H](C(N)=O)[NH+]1CC(CNC(=O)[C@H]2CCOC2)C1 ZINC001031571328 656375892 /nfs/dbraw/zinc/37/58/92/656375892.db2.gz LDQGITUIISQJLE-WPRPVWTQSA-N 1 2 255.318 -1.055 20 0 CAADLO C[C@H](C(N)=O)[NH+]1CC(CNC(=O)c2cn[nH]c2)C1 ZINC001031559232 656375991 /nfs/dbraw/zinc/37/59/91/656375991.db2.gz BSMAFQZSZKUGRO-SSDOTTSWSA-N 1 2 251.290 -1.055 20 0 CAADLO O=C(NCC1C[NH+]([C@H]2CCNC2=O)C1)[C@@H]1CCOC1 ZINC001031571342 656376086 /nfs/dbraw/zinc/37/60/86/656376086.db2.gz LLWYWSWFHNRAQU-MNOVXSKESA-N 1 2 267.329 -1.041 20 0 CAADLO C[C@H](C(N)=O)[NH+]1CC(CNC(=O)c2ccnn2C)C1 ZINC001031570238 656376099 /nfs/dbraw/zinc/37/60/99/656376099.db2.gz OVAXTPJOHRMORO-MRVPVSSYSA-N 1 2 265.317 -1.045 20 0 CAADLO C[C@@H](C(N)=O)[NH+]1CC(CNC(=O)c2nccnc2N)C1 ZINC001031588901 656376291 /nfs/dbraw/zinc/37/62/91/656376291.db2.gz AESHBECXNKHMNP-ZETCQYMHSA-N 1 2 278.316 -1.406 20 0 CAADLO CNC(=O)C[NH+]1CC(CNC(=O)[C@@H]2C[C@@H]2C(=O)OC)C1 ZINC001031579929 656376314 /nfs/dbraw/zinc/37/63/14/656376314.db2.gz SYCVEDRAWQXMQZ-ZJUUUORDSA-N 1 2 283.328 -1.411 20 0 CAADLO C[C@@H](C(N)=O)[NH+]1CC(CNC(=O)[C@H]2CCC(=O)N2)C1 ZINC001031582842 656376503 /nfs/dbraw/zinc/37/65/03/656376503.db2.gz WWDRNHVROIZUHW-IONNQARKSA-N 1 2 268.317 -1.813 20 0 CAADLO CNC(=O)C[NH+]1CC(CNC(=O)[C@H]2C[C@@H]2C(=O)OC)C1 ZINC001031579927 656376516 /nfs/dbraw/zinc/37/65/16/656376516.db2.gz SYCVEDRAWQXMQZ-UWVGGRQHSA-N 1 2 283.328 -1.411 20 0 CAADLO Cc1nn(C)cc1C(=O)NCC1C[NH+](CC(N)=O)C1 ZINC001031586016 656376591 /nfs/dbraw/zinc/37/65/91/656376591.db2.gz RQBLKAYIQPQMNK-UHFFFAOYSA-N 1 2 265.317 -1.125 20 0 CAADLO CNC(=O)C[NH+]1CC(CNC(=O)[C@H]2C[C@H]2C(=O)OC)C1 ZINC001031579928 656376619 /nfs/dbraw/zinc/37/66/19/656376619.db2.gz SYCVEDRAWQXMQZ-VHSXEESVSA-N 1 2 283.328 -1.411 20 0 CAADLO COC(=O)[C@H]1C[C@@H]1C(=O)NCC1C[NH+](CC(=O)N(C)C)C1 ZINC001031580710 656376849 /nfs/dbraw/zinc/37/68/49/656376849.db2.gz WPCGMCRNYGXWEQ-QWRGUYRKSA-N 1 2 297.355 -1.068 20 0 CAADLO NC(=O)C[NH+]1CC(CNC(=O)c2nccnc2N)C1 ZINC001031588346 656376858 /nfs/dbraw/zinc/37/68/58/656376858.db2.gz AMACKEYXEMSJEX-UHFFFAOYSA-N 1 2 264.289 -1.794 20 0 CAADLO CN(C)C(=O)C[NH+]1CC(CNC(=O)c2nccnc2N)C1 ZINC001031588668 656376873 /nfs/dbraw/zinc/37/68/73/656376873.db2.gz PBJLKNWHGDUSQE-UHFFFAOYSA-N 1 2 292.343 -1.191 20 0 CAADLO Cc1c(C(=O)NCC2C[NH+](CC(=O)N(C)C)C2)nnn1C ZINC001031592918 656377194 /nfs/dbraw/zinc/37/71/94/656377194.db2.gz JVZMMQAGIHSBMY-UHFFFAOYSA-N 1 2 294.359 -1.127 20 0 CAADLO CN1CCOC[C@@H]1C(=O)NCC1C[NH+]([C@H]2CCNC2=O)C1 ZINC001031621522 656377763 /nfs/dbraw/zinc/37/77/63/656377763.db2.gz KNJAFLUUWVVGHW-NWDGAFQWSA-N 1 2 296.371 -1.747 20 0 CAADLO Cc1cc(C(=O)NCC2C[NH+](CC(N)=O)C2)ncn1 ZINC001031619573 656377880 /nfs/dbraw/zinc/37/78/80/656377880.db2.gz FOQOLNQGWHJTJR-UHFFFAOYSA-N 1 2 263.301 -1.068 20 0 CAADLO NC(=O)C[NH+]1CC(CNC(=O)[C@@H]2CCNC(=O)C2)C1 ZINC001031612904 656378106 /nfs/dbraw/zinc/37/81/06/656378106.db2.gz HAOYQBCXIJCZLO-SECBINFHSA-N 1 2 268.317 -1.954 20 0 CAADLO Cn1cnc(C(=O)NCC2C[NH+](CC(N)=O)C2)c1 ZINC001031613048 656378112 /nfs/dbraw/zinc/37/81/12/656378112.db2.gz DNBRYXNKVTVMKH-UHFFFAOYSA-N 1 2 251.290 -1.433 20 0 CAADLO CN1CCOC[C@@H]1C(=O)NCC1C[NH+]([C@@H]2CCNC2=O)C1 ZINC001031621524 656378127 /nfs/dbraw/zinc/37/81/27/656378127.db2.gz KNJAFLUUWVVGHW-VXGBXAGGSA-N 1 2 296.371 -1.747 20 0 CAADLO CN(C)C(=O)C[NH+]1CC(CNC(=O)[C@@H]2CCNC(=O)C2)C1 ZINC001031612906 656378141 /nfs/dbraw/zinc/37/81/41/656378141.db2.gz HCFHABHOTGTMMA-LLVKDONJSA-N 1 2 296.371 -1.351 20 0 CAADLO C[C@@H](C(N)=O)[NH+]1CC(CNC(=O)[C@H]2COCCN2C)C1 ZINC001031621193 656378198 /nfs/dbraw/zinc/37/81/98/656378198.db2.gz GKGQBCLOYMDQAC-GXSJLCMTSA-N 1 2 284.360 -1.761 20 0 CAADLO CC[S@](=O)CCNC(=O)C(=O)NC[C@@H]1CC[N@@H+]1C ZINC000930096662 656378211 /nfs/dbraw/zinc/37/82/11/656378211.db2.gz INXRNPBNGCHXCH-YYSFKGJASA-N 1 2 275.374 -1.309 20 0 CAADLO CC[S@](=O)CCNC(=O)C(=O)NC[C@@H]1CC[N@H+]1C ZINC000930096662 656378214 /nfs/dbraw/zinc/37/82/14/656378214.db2.gz INXRNPBNGCHXCH-YYSFKGJASA-N 1 2 275.374 -1.309 20 0 CAADLO C[C@H](C(N)=O)[NH+]1CC(CNC(=O)[C@H]2CCNC(=O)C2)C1 ZINC001031611622 656378226 /nfs/dbraw/zinc/37/82/26/656378226.db2.gz SLFIZJQFPWUGCZ-SCZZXKLOSA-N 1 2 282.344 -1.566 20 0 CAADLO CNC(=O)C[NH+]1CC(CNC(=O)[C@H]2COCCN2C)C1 ZINC001031622322 656378232 /nfs/dbraw/zinc/37/82/32/656378232.db2.gz YXAWECCOTXAVJU-LLVKDONJSA-N 1 2 284.360 -1.889 20 0 CAADLO CNC(=O)C[NH+]1CC(CNC(=O)[C@@H]2CCNC(=O)C2)C1 ZINC001031612806 656378239 /nfs/dbraw/zinc/37/82/39/656378239.db2.gz DPYLMEPLIRXDKE-SNVBAGLBSA-N 1 2 282.344 -1.693 20 0 CAADLO CN1CCOC[C@H]1C(=O)NCC1C[NH+]([C@H]2CCNC2=O)C1 ZINC001031621523 656378253 /nfs/dbraw/zinc/37/82/53/656378253.db2.gz KNJAFLUUWVVGHW-RYUDHWBXSA-N 1 2 296.371 -1.747 20 0 CAADLO NC(=O)C[NH+]1CC(CNC(=O)[C@H]2CCNC(=O)C2)C1 ZINC001031612905 656378260 /nfs/dbraw/zinc/37/82/60/656378260.db2.gz HAOYQBCXIJCZLO-VIFPVBQESA-N 1 2 268.317 -1.954 20 0 CAADLO C[C@H](C(N)=O)[NH+]1CC(CNC(=O)[C@H]2COCCN2C)C1 ZINC001031621197 656378278 /nfs/dbraw/zinc/37/82/78/656378278.db2.gz GKGQBCLOYMDQAC-MWLCHTKSSA-N 1 2 284.360 -1.761 20 0 CAADLO C[C@@H](C(N)=O)[NH+]1CC(CNC(=O)c2cn(C)cn2)C1 ZINC001031615564 656378291 /nfs/dbraw/zinc/37/82/91/656378291.db2.gz RMLBGARHOYNHHU-QMMMGPOBSA-N 1 2 265.317 -1.045 20 0 CAADLO Cn1cnc(C(=O)NCC2C[NH+]([C@H]3CCNC3=O)C2)c1 ZINC001031613930 656378327 /nfs/dbraw/zinc/37/83/27/656378327.db2.gz ZKZWOYBVVKXKMU-NSHDSACASA-N 1 2 277.328 -1.030 20 0 CAADLO CN1CCOC[C@H]1C(=O)NCC1C[NH+](CC(N)=O)C1 ZINC001031621647 656378358 /nfs/dbraw/zinc/37/83/58/656378358.db2.gz LLXRSPADILOWHT-JTQLQIEISA-N 1 2 270.333 -2.150 20 0 CAADLO C[C@@H](C(N)=O)[NH+]1CC(CNC(=O)c2cnn(C)c2N)C1 ZINC001031626539 656378645 /nfs/dbraw/zinc/37/86/45/656378645.db2.gz LYDIQGYFHFZWII-ZETCQYMHSA-N 1 2 280.332 -1.462 20 0 CAADLO CNC(=O)C[NH+]1CC(CNC(=O)c2cncnc2)C1 ZINC001031626835 656378692 /nfs/dbraw/zinc/37/86/92/656378692.db2.gz WYGHDTARCSCJRD-UHFFFAOYSA-N 1 2 263.301 -1.116 20 0 CAADLO C[C@H](C(N)=O)[NH+]1CC(CNC(=O)c2cnn(C)c2N)C1 ZINC001031626538 656379023 /nfs/dbraw/zinc/37/90/23/656379023.db2.gz LYDIQGYFHFZWII-SSDOTTSWSA-N 1 2 280.332 -1.462 20 0 CAADLO C[C@@H](C(N)=O)[NH+]1CC(CNC(=O)c2cc(=O)n(C)o2)C1 ZINC001031634212 656379148 /nfs/dbraw/zinc/37/91/48/656379148.db2.gz PBPLJKMZIRERIU-ZETCQYMHSA-N 1 2 282.300 -1.486 20 0 CAADLO CNS(=O)(=O)N[C@@H](C)[C@@H]1CN(C)CC[N@@H+]1C ZINC000919980676 656379231 /nfs/dbraw/zinc/37/92/31/656379231.db2.gz FIDBAWNOCYMWSC-IUCAKERBSA-N 1 2 250.368 -1.326 20 0 CAADLO CNS(=O)(=O)N[C@@H](C)[C@@H]1CN(C)CC[N@H+]1C ZINC000919980676 656379234 /nfs/dbraw/zinc/37/92/34/656379234.db2.gz FIDBAWNOCYMWSC-IUCAKERBSA-N 1 2 250.368 -1.326 20 0 CAADLO CNC(=O)C[NH+]1CC(CNC(=O)c2cc(=O)n(C)o2)C1 ZINC001031634350 656379355 /nfs/dbraw/zinc/37/93/55/656379355.db2.gz UYQDKVMVUKYESK-UHFFFAOYSA-N 1 2 282.300 -1.614 20 0 CAADLO CC(=O)N1CC(C(=O)NCC2C[NH+](CC(=O)N(C)C)C2)C1 ZINC001031636343 656379429 /nfs/dbraw/zinc/37/94/29/656379429.db2.gz TUVOQCXUKLZMCQ-UHFFFAOYSA-N 1 2 296.371 -1.399 20 0 CAADLO CNC(=O)C[NH+]1CC(CNC(=O)[C@H]2COC(=O)N2)C1 ZINC001031646128 656379742 /nfs/dbraw/zinc/37/97/42/656379742.db2.gz YMHIWIQYVQCAET-MRVPVSSYSA-N 1 2 270.289 -2.111 20 0 CAADLO CNC(=O)C[NH+]1CC(CNC(=O)c2cnnn2C)C1 ZINC001031643089 656380026 /nfs/dbraw/zinc/38/00/26/656380026.db2.gz JNSFBOJUXJGPLM-UHFFFAOYSA-N 1 2 266.305 -1.777 20 0 CAADLO CC(=O)N1CC(C(=O)NCC2C[NH+]([C@@H]3CCNC3=O)C2)C1 ZINC001031637148 656380107 /nfs/dbraw/zinc/38/01/07/656380107.db2.gz UDCHEDBEVCVWTA-GFCCVEGCSA-N 1 2 294.355 -1.599 20 0 CAADLO Cn1cnc(C(=O)NCC2C[NH+]([C@H]3CCNC3=O)C2)n1 ZINC001031648231 656380366 /nfs/dbraw/zinc/38/03/66/656380366.db2.gz KFGJEYGTMGXLGU-VIFPVBQESA-N 1 2 278.316 -1.635 20 0 CAADLO O=C(NCC1C[NH+]([C@H]2CCNC2=O)C1)[C@H]1COC(=O)N1 ZINC001031647718 656380735 /nfs/dbraw/zinc/38/07/35/656380735.db2.gz QUQFMEIBPWWKHD-BDAKNGLRSA-N 1 2 282.300 -1.969 20 0 CAADLO C[C@@H](C(N)=O)[NH+]1CC(CNC(=O)c2cn(C)nn2)C1 ZINC001031651371 656381037 /nfs/dbraw/zinc/38/10/37/656381037.db2.gz PNVXIBSHMQYETE-ZETCQYMHSA-N 1 2 266.305 -1.650 20 0 CAADLO Cc1c[nH]nc1C(=O)NCC1C[NH+](CC(N)=O)C1 ZINC001031659954 656381375 /nfs/dbraw/zinc/38/13/75/656381375.db2.gz YHABYJJRCWGQDP-UHFFFAOYSA-N 1 2 251.290 -1.135 20 0 CAADLO CNC(=O)C[NH+]1CC(CNC(=O)[C@H]2C[C@@H](C)CC(=O)N2)C1 ZINC001031678236 656382262 /nfs/dbraw/zinc/38/22/62/656382262.db2.gz NOQRPVARTZOOGL-MWLCHTKSSA-N 1 2 296.371 -1.305 20 0 CAADLO CNC(=O)C[NH+]1CC(CNC(=O)c2cc(OC)ncn2)C1 ZINC001031674379 656382546 /nfs/dbraw/zinc/38/25/46/656382546.db2.gz KTXGVJDWQBKRLR-UHFFFAOYSA-N 1 2 293.327 -1.107 20 0 CAADLO O=C(NCC1C[NH+]([C@H]2CCNC2=O)C1)[C@]12C[C@H]1COC2 ZINC001031687167 656382819 /nfs/dbraw/zinc/38/28/19/656382819.db2.gz ONNDQBFUJCAWMC-MJVIPROJSA-N 1 2 279.340 -1.041 20 0 CAADLO C[C@@H](O)C[NH+]1CC(CNC(=O)C2CS(=O)(=O)C2)C1 ZINC001031695346 656382848 /nfs/dbraw/zinc/38/28/48/656382848.db2.gz APPXVXMALGGRRG-MRVPVSSYSA-N 1 2 276.358 -1.540 20 0 CAADLO NC(=O)C[NH+]1CC(CNC(=O)[C@]23C[C@H]2COC3)C1 ZINC001031686956 656382995 /nfs/dbraw/zinc/38/29/95/656382995.db2.gz ICXDWHYIGOZKRX-CABZTGNLSA-N 1 2 253.302 -1.444 20 0 CAADLO COCC[NH+]1CC(CNC(=O)C2CS(=O)(=O)C2)C1 ZINC001031694574 656383252 /nfs/dbraw/zinc/38/32/52/656383252.db2.gz DVMKBJVLHTUEJL-UHFFFAOYSA-N 1 2 276.358 -1.275 20 0 CAADLO CCN1C[C@H](C(=O)NCC2C[NH+](CC(N)=O)C2)CC1=O ZINC001031708499 656384095 /nfs/dbraw/zinc/38/40/95/656384095.db2.gz CSBDNYWCBANJAW-SNVBAGLBSA-N 1 2 282.344 -1.612 20 0 CAADLO CN(C)C(=O)C[NH+]1CC(CNC(=O)[C@@H]2CC(=O)N(C)C2)C1 ZINC001031711584 656384443 /nfs/dbraw/zinc/38/44/43/656384443.db2.gz IPSYXRJKPLARQP-LLVKDONJSA-N 1 2 296.371 -1.399 20 0 CAADLO CCN1C[C@H](C(=O)NCC2C[NH+]([C@@H](C)C(N)=O)C2)CC1=O ZINC001031709733 656384455 /nfs/dbraw/zinc/38/44/55/656384455.db2.gz ROSOWEPVLGCFBK-GXSJLCMTSA-N 1 2 296.371 -1.223 20 0 CAADLO C[C@@H](C(N)=O)[NH+]1CC(CNC(=O)[C@@H]2CC(=O)N(C)C2)C1 ZINC001031712422 656384547 /nfs/dbraw/zinc/38/45/47/656384547.db2.gz YVIROGPAUISROM-WCBMZHEXSA-N 1 2 282.344 -1.614 20 0 CAADLO CCN1C[C@@H](C(=O)NCC2C[NH+]([C@H](C)C(N)=O)C2)CC1=O ZINC001031709734 656384574 /nfs/dbraw/zinc/38/45/74/656384574.db2.gz ROSOWEPVLGCFBK-KOLCDFICSA-N 1 2 296.371 -1.223 20 0 CAADLO NC(=O)C[NH+]1CC(CNC(=O)c2ccc3n[nH]nc3n2)C1 ZINC001031717057 656384589 /nfs/dbraw/zinc/38/45/89/656384589.db2.gz AMHIDCAOFAYADT-UHFFFAOYSA-N 1 2 289.299 -1.500 20 0 CAADLO C[C@H](C(N)=O)[NH+]1CC(CNC(=O)[C@H]2CC(=O)N(C)C2)C1 ZINC001031712421 656384754 /nfs/dbraw/zinc/38/47/54/656384754.db2.gz YVIROGPAUISROM-SCZZXKLOSA-N 1 2 282.344 -1.614 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)C[C@H]2CCC(=O)N2)C1 ZINC001015834949 656384908 /nfs/dbraw/zinc/38/49/08/656384908.db2.gz NWNGJSHZWLOOPR-RKDXNWHRSA-N 1 2 268.317 -1.669 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)C[C@H]2CCC(=O)N2)C1 ZINC001015834949 656384913 /nfs/dbraw/zinc/38/49/13/656384913.db2.gz NWNGJSHZWLOOPR-RKDXNWHRSA-N 1 2 268.317 -1.669 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)C[C@H]2CCC(=O)N2)C1 ZINC001015834943 656384922 /nfs/dbraw/zinc/38/49/22/656384922.db2.gz NWNGJSHZWLOOPR-BDAKNGLRSA-N 1 2 268.317 -1.669 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)C[C@H]2CCC(=O)N2)C1 ZINC001015834943 656384924 /nfs/dbraw/zinc/38/49/24/656384924.db2.gz NWNGJSHZWLOOPR-BDAKNGLRSA-N 1 2 268.317 -1.669 20 0 CAADLO CCN1C[C@H](C(=O)NCC2C[NH+]([C@H](C)C(N)=O)C2)CC1=O ZINC001031709735 656384950 /nfs/dbraw/zinc/38/49/50/656384950.db2.gz ROSOWEPVLGCFBK-MWLCHTKSSA-N 1 2 296.371 -1.223 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)C[C@@H]2CCC(=O)N2)C1 ZINC001015834944 656384983 /nfs/dbraw/zinc/38/49/83/656384983.db2.gz NWNGJSHZWLOOPR-DTWKUNHWSA-N 1 2 268.317 -1.669 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)C[C@@H]2CCC(=O)N2)C1 ZINC001015834944 656384985 /nfs/dbraw/zinc/38/49/85/656384985.db2.gz NWNGJSHZWLOOPR-DTWKUNHWSA-N 1 2 268.317 -1.669 20 0 CAADLO CN1C[C@@H](C(=O)NCC2C[NH+]([C@H]3CCNC3=O)C2)CC1=O ZINC001031712138 656385010 /nfs/dbraw/zinc/38/50/10/656385010.db2.gz QFHXWDZYAIDRJU-QWRGUYRKSA-N 1 2 294.355 -1.599 20 0 CAADLO NC(=O)C[NH+]1CC(CNC(=O)c2ccnc3ccnn32)C1 ZINC001031726646 656385556 /nfs/dbraw/zinc/38/55/56/656385556.db2.gz HBSGPDAMFBPYPL-UHFFFAOYSA-N 1 2 288.311 -1.124 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)c2cnn(C)n2)C1 ZINC001015841921 656385851 /nfs/dbraw/zinc/38/58/51/656385851.db2.gz JIUCAVXLOGMCLT-RKDXNWHRSA-N 1 2 280.332 -1.246 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+]1CC[C@@H](NC(=O)c2cnn(C)n2)C1 ZINC001015841921 656385854 /nfs/dbraw/zinc/38/58/54/656385854.db2.gz JIUCAVXLOGMCLT-RKDXNWHRSA-N 1 2 280.332 -1.246 20 0 CAADLO NC(=O)C(=O)N1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000938531729 656386901 /nfs/dbraw/zinc/38/69/01/656386901.db2.gz IRPYONRUSIKMIA-ZETCQYMHSA-N 1 2 265.273 -1.845 20 0 CAADLO NC(=O)C[NH+]1CC(CNC(=O)c2cnn3ccncc23)C1 ZINC001031734783 656387164 /nfs/dbraw/zinc/38/71/64/656387164.db2.gz IZCPMVSUUFWDLQ-UHFFFAOYSA-N 1 2 288.311 -1.124 20 0 CAADLO COc1cc[nH+]cc1CC(=O)NC1CN(C(=O)C(N)=O)C1 ZINC000994844345 656387199 /nfs/dbraw/zinc/38/71/99/656387199.db2.gz FKQDHBAIQFQNAC-UHFFFAOYSA-N 1 2 292.295 -1.555 20 0 CAADLO NC(=O)C(=O)N[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000938582435 656388196 /nfs/dbraw/zinc/38/81/96/656388196.db2.gz QGOJXPQBKOFSQN-ZETCQYMHSA-N 1 2 265.273 -1.845 20 0 CAADLO NC(=O)C(=O)N[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000938585127 656388428 /nfs/dbraw/zinc/38/84/28/656388428.db2.gz AHGKEQOJRGKZFB-DJLDLDEBSA-N 1 2 291.311 -1.284 20 0 CAADLO NC(=O)C(=O)N[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC000938585127 656388431 /nfs/dbraw/zinc/38/84/31/656388431.db2.gz AHGKEQOJRGKZFB-DJLDLDEBSA-N 1 2 291.311 -1.284 20 0 CAADLO NC(=O)C(=O)N[C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC000938585325 656388732 /nfs/dbraw/zinc/38/87/32/656388732.db2.gz FJPPDZKUACYNTN-VIFPVBQESA-N 1 2 279.300 -1.455 20 0 CAADLO NC(=O)C(=O)N[C@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC000938585325 656388735 /nfs/dbraw/zinc/38/87/35/656388735.db2.gz FJPPDZKUACYNTN-VIFPVBQESA-N 1 2 279.300 -1.455 20 0 CAADLO Cn1cnc(C(=O)NCC2C[NH+](CC(N)=O)C2)cc1=O ZINC001031740532 656389263 /nfs/dbraw/zinc/38/92/63/656389263.db2.gz DJLAKSJOFLCTSY-UHFFFAOYSA-N 1 2 279.300 -2.073 20 0 CAADLO CNC(=O)C[NH+]1CC(CNC(=O)[C@H]2OCCO[C@H]2C)C1 ZINC001031742348 656389578 /nfs/dbraw/zinc/38/95/78/656389578.db2.gz BQXZUBIHWOUOON-CABZTGNLSA-N 1 2 285.344 -1.416 20 0 CAADLO C[C@@H]1OCCO[C@@H]1C(=O)NCC1C[NH+]([C@H]2CCNC2=O)C1 ZINC001031743515 656389588 /nfs/dbraw/zinc/38/95/88/656389588.db2.gz XYKSXZUQCNCCSF-DLOVCJGASA-N 1 2 297.355 -1.273 20 0 CAADLO NC(=O)C[NH+]1CC(CNC(=O)c2cnc3n2CCC3)C1 ZINC001031742182 656389842 /nfs/dbraw/zinc/38/98/42/656389842.db2.gz XSMBETWCNOZCDF-UHFFFAOYSA-N 1 2 277.328 -1.024 20 0 CAADLO CNC(=O)C[NH+]1CC(CNC(=O)[C@H]2CCCNC2=O)C1 ZINC001031743927 656389854 /nfs/dbraw/zinc/38/98/54/656389854.db2.gz BREXXQJUNYVVRB-JTQLQIEISA-N 1 2 282.344 -1.693 20 0 CAADLO Cc1[nH]c(=O)[nH]c1C(=O)NCC1C[NH+]([C@@H](C)C(N)=O)C1 ZINC001031752696 656390081 /nfs/dbraw/zinc/39/00/81/656390081.db2.gz MGPIADZWCIBVQK-ZETCQYMHSA-N 1 2 281.316 -1.041 20 0 CAADLO COC1CC(C(=O)NCC2C[NH+](CC(N)=O)C2)C1 ZINC001031753765 656390291 /nfs/dbraw/zinc/39/02/91/656390291.db2.gz AZIJQXCYJCOALH-UHFFFAOYSA-N 1 2 255.318 -1.055 20 0 CAADLO C[C@@H](C(N)=O)[NH+]1CC(CNC(=O)[C@H]2CCCNC2=O)C1 ZINC001031748208 656390305 /nfs/dbraw/zinc/39/03/05/656390305.db2.gz XQFRAAVJYHVBOY-WPRPVWTQSA-N 1 2 282.344 -1.566 20 0 CAADLO C[C@H](C(N)=O)[NH+]1CC(CNC(=O)[C@H]2CCCC(=O)N2)C1 ZINC001031752928 656390351 /nfs/dbraw/zinc/39/03/51/656390351.db2.gz VKLYJHMAUFIEQH-PSASIEDQSA-N 1 2 282.344 -1.423 20 0 CAADLO NC(=O)C[NH+]1CC(CNC(=O)c2cn[nH]c(=O)c2)C1 ZINC001031751153 656390513 /nfs/dbraw/zinc/39/05/13/656390513.db2.gz UKZLASHYVYRHED-UHFFFAOYSA-N 1 2 265.273 -1.671 20 0 CAADLO C[C@@H](C(N)=O)[NH+]1CC(CNC(=O)[C@H]2CCCC(=O)N2)C1 ZINC001031752929 656390871 /nfs/dbraw/zinc/39/08/71/656390871.db2.gz VKLYJHMAUFIEQH-WCBMZHEXSA-N 1 2 282.344 -1.423 20 0 CAADLO O=C(NCC1C[NH+]([C@@H]2CCNC2=O)C1)[C@H]1CCCC(=O)N1 ZINC001031754738 656391087 /nfs/dbraw/zinc/39/10/87/656391087.db2.gz NJOCIAARLDSYDE-GHMZBOCLSA-N 1 2 294.355 -1.408 20 0 CAADLO O=C(NCC1C[NH+]([C@@H]2CCNC2=O)C1)c1cnc[nH]c1=O ZINC001031757522 656391130 /nfs/dbraw/zinc/39/11/30/656391130.db2.gz WKABBBAKEQMWEM-SNVBAGLBSA-N 1 2 291.311 -1.268 20 0 CAADLO Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H](N(C)C(=O)C(N)=O)C1 ZINC000938983695 656391230 /nfs/dbraw/zinc/39/12/30/656391230.db2.gz ICCXEBNFUFMLEO-VIFPVBQESA-N 1 2 293.327 -1.195 20 0 CAADLO O=C(NCC1C[NH+]([C@H]2CCNC2=O)C1)c1cnc[nH]c1=O ZINC001031757521 656391376 /nfs/dbraw/zinc/39/13/76/656391376.db2.gz WKABBBAKEQMWEM-JTQLQIEISA-N 1 2 291.311 -1.268 20 0 CAADLO O=C(NCC1C[NH+]([C@H]2CCNC2=O)C1)[C@H]1CCCC(=O)N1 ZINC001031754739 656391419 /nfs/dbraw/zinc/39/14/19/656391419.db2.gz NJOCIAARLDSYDE-MNOVXSKESA-N 1 2 294.355 -1.408 20 0 CAADLO NC(=O)CC(=O)N1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC000938990002 656391679 /nfs/dbraw/zinc/39/16/79/656391679.db2.gz KKORADOIOXKZFY-QMMMGPOBSA-N 1 2 279.300 -1.455 20 0 CAADLO CCN1CCOC[C@@H]1C(=O)NCC1C[NH+](CC(=O)NC)C1 ZINC001031796478 656391892 /nfs/dbraw/zinc/39/18/92/656391892.db2.gz LOQSPAPHUIPQNY-GFCCVEGCSA-N 1 2 298.387 -1.499 20 0 CAADLO NC(=O)C[NH+]1CC(CNC(=O)c2cccc(C(N)=O)c2)C1 ZINC001031775028 656392079 /nfs/dbraw/zinc/39/20/79/656392079.db2.gz WTMJVSWIQHVUEV-UHFFFAOYSA-N 1 2 290.323 -1.068 20 0 CAADLO NC(=O)CN1CC(CNC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001031775938 656392089 /nfs/dbraw/zinc/39/20/89/656392089.db2.gz LGXQGIJIIOQHKD-NSHDSACASA-N 1 2 291.355 -1.021 20 0 CAADLO CNC(=O)C[NH+]1CC(CNC(=O)[C@@H]2CCN(C)C(=O)C2)C1 ZINC001031778400 656392181 /nfs/dbraw/zinc/39/21/81/656392181.db2.gz YCYRTURRJQDIDX-LLVKDONJSA-N 1 2 296.371 -1.351 20 0 CAADLO C[C@@H](C(N)=O)[NH+]1CC(CNC(=O)c2ccn(C)c(=O)c2)C1 ZINC001031776143 656392332 /nfs/dbraw/zinc/39/23/32/656392332.db2.gz PRBQNPLRUSBHJL-VIFPVBQESA-N 1 2 292.339 -1.079 20 0 CAADLO CCN1CCOC[C@@H]1C(=O)NCC1C[NH+]([C@H](C)C(N)=O)C1 ZINC001031794779 656392456 /nfs/dbraw/zinc/39/24/56/656392456.db2.gz MLPAAVCDCOAQPD-ZYHUDNBSSA-N 1 2 298.387 -1.371 20 0 CAADLO C[C@@H]1C[C@H](C(=O)NCC2C[NH+](CC(N)=O)C2)CO1 ZINC001031790118 656392590 /nfs/dbraw/zinc/39/25/90/656392590.db2.gz RIKVFCZUDNCYSU-SCZZXKLOSA-N 1 2 255.318 -1.055 20 0 CAADLO CCN1CCOC[C@@H]1C(=O)NCC1C[NH+](CC(N)=O)C1 ZINC001031797334 656392606 /nfs/dbraw/zinc/39/26/06/656392606.db2.gz OSIGHXATLCDCCA-LLVKDONJSA-N 1 2 284.360 -1.760 20 0 CAADLO NC(=O)C(=O)N1CC(NC(=O)Cn2cc[nH+]c2)C1 ZINC000994921336 656392742 /nfs/dbraw/zinc/39/27/42/656392742.db2.gz TYICESZKBDKZEI-UHFFFAOYSA-N 1 2 251.246 -2.305 20 0 CAADLO O=C(Cn1cc[nH+]c1)NC1CN(C(=O)c2cnon2)C1 ZINC000994919890 656392778 /nfs/dbraw/zinc/39/27/78/656392778.db2.gz FLAMMFYQEYGSRM-UHFFFAOYSA-N 1 2 276.256 -1.093 20 0 CAADLO O=C(NCC1C[NH+]([C@H]2CCNC2=O)C1)[C@@H]1CCC(=O)NC1 ZINC001031804738 656392782 /nfs/dbraw/zinc/39/27/82/656392782.db2.gz KIVJHOQSTSYHDK-MNOVXSKESA-N 1 2 294.355 -1.551 20 0 CAADLO C[C@@H](C(N)=O)[NH+]1CC(CNC(=O)[C@@H]2CCC(=O)NC2)C1 ZINC001031803029 656392811 /nfs/dbraw/zinc/39/28/11/656392811.db2.gz VBXKTBZZVLYJCB-WCBMZHEXSA-N 1 2 282.344 -1.566 20 0 CAADLO O=C(Cn1cc[nH+]c1)NC1CN(C(=O)Cc2nnc[nH]2)C1 ZINC000994918634 656392845 /nfs/dbraw/zinc/39/28/45/656392845.db2.gz VTBIXYPIUGIPHM-UHFFFAOYSA-N 1 2 289.299 -1.429 20 0 CAADLO CNC(=O)C[NH+]1CC(CNC(=O)c2ccc(=O)n(C)c2)C1 ZINC001031805118 656392864 /nfs/dbraw/zinc/39/28/64/656392864.db2.gz GHBMRTJLAPFDJB-UHFFFAOYSA-N 1 2 292.339 -1.207 20 0 CAADLO C[C@@H]1C[C@H](C(=O)NCC2C[NH+](CC(N)=O)C2)CC(=O)N1 ZINC001031803098 656392948 /nfs/dbraw/zinc/39/29/48/656392948.db2.gz WJTCGKBBYVIAAY-SCZZXKLOSA-N 1 2 282.344 -1.566 20 0 CAADLO NC(=O)[C@@H]1C[C@@H]1C(=O)N1CC(NC(=O)Cn2cc[nH+]c2)C1 ZINC000994918691 656392978 /nfs/dbraw/zinc/39/29/78/656392978.db2.gz XJFJYYAGJQFXIG-ZJUUUORDSA-N 1 2 291.311 -1.669 20 0 CAADLO NC(=O)C[NH+]1CC(CNC(=O)C2CCC(C(N)=O)CC2)C1 ZINC001031802777 656392984 /nfs/dbraw/zinc/39/29/84/656392984.db2.gz RMSRFXKVMYLLOC-UHFFFAOYSA-N 1 2 296.371 -1.189 20 0 CAADLO CN(C)C(=O)C[NH+]1CC(CNC(=O)[C@@H]2CCC(=O)NC2)C1 ZINC001031802811 656393106 /nfs/dbraw/zinc/39/31/06/656393106.db2.gz RTWGEIPPRILZOA-LLVKDONJSA-N 1 2 296.371 -1.351 20 0 CAADLO CNC(=O)C[NH+]1CC(CNC(=O)[C@@H]2CCC(=O)NC2)C1 ZINC001031803987 656393210 /nfs/dbraw/zinc/39/32/10/656393210.db2.gz QDQBIHQMLMLLAG-SNVBAGLBSA-N 1 2 282.344 -1.693 20 0 CAADLO CNC(=O)C[NH+]1CC(CNC(=O)[C@@H]2CC(=O)N[C@H](C)C2)C1 ZINC001031802544 656393234 /nfs/dbraw/zinc/39/32/34/656393234.db2.gz PKMZRZPUMLNDON-KOLCDFICSA-N 1 2 296.371 -1.305 20 0 CAADLO CN(C)C(=O)C[NH+]1CC(CNC(=O)[C@H]2CCC(=O)NC2)C1 ZINC001031802813 656393239 /nfs/dbraw/zinc/39/32/39/656393239.db2.gz RTWGEIPPRILZOA-NSHDSACASA-N 1 2 296.371 -1.351 20 0 CAADLO Cc1n[nH]nc1C(=O)N1CC(NC(=O)Cn2cc[nH+]c2)C1 ZINC000994917983 656393252 /nfs/dbraw/zinc/39/32/52/656393252.db2.gz MNILNSAMELLRKW-UHFFFAOYSA-N 1 2 289.299 -1.050 20 0 CAADLO C[C@H](C(N)=O)[NH+]1CC(CNC(=O)[C@H]2CCC(=O)NC2)C1 ZINC001031803028 656393328 /nfs/dbraw/zinc/39/33/28/656393328.db2.gz VBXKTBZZVLYJCB-SCZZXKLOSA-N 1 2 282.344 -1.566 20 0 CAADLO Cn1nncc1C(=O)N1CC(NC(=O)Cn2cc[nH+]c2)C1 ZINC000994911724 656393336 /nfs/dbraw/zinc/39/33/36/656393336.db2.gz MDOYUWUKNSEFAZ-UHFFFAOYSA-N 1 2 289.299 -1.348 20 0 CAADLO O=C(NCC1C[NH+]([C@@H]2CCNC2=O)C1)[C@H]1CCC(=O)NC1 ZINC001031804740 656393424 /nfs/dbraw/zinc/39/34/24/656393424.db2.gz KIVJHOQSTSYHDK-WDEREUQCSA-N 1 2 294.355 -1.551 20 0 CAADLO Cn1ncc(C(=O)N2CC(NC(=O)Cn3cc[nH+]c3)C2)n1 ZINC000994922500 656393694 /nfs/dbraw/zinc/39/36/94/656393694.db2.gz GRXDVVNJKHIHLJ-UHFFFAOYSA-N 1 2 289.299 -1.348 20 0 CAADLO O=C(Cn1cc[nH+]c1)NC1CN(C(=O)[C@@H]2CCC(=O)N2)C1 ZINC000994924071 656393698 /nfs/dbraw/zinc/39/36/98/656393698.db2.gz SWNZGYGHNRCKAW-JTQLQIEISA-N 1 2 291.311 -1.511 20 0 CAADLO Cn1cc(C(=O)NCC2C[NH+](CC(N)=O)C2)ccc1=O ZINC001031810376 656394126 /nfs/dbraw/zinc/39/41/26/656394126.db2.gz GUCQOIKCKCRHNI-UHFFFAOYSA-N 1 2 278.312 -1.468 20 0 CAADLO NC(=O)C[NH+]1CC(CNC(=O)c2cnn3c2OCCC3)C1 ZINC001031814840 656394876 /nfs/dbraw/zinc/39/48/76/656394876.db2.gz AAQIGTUNQWNZDH-UHFFFAOYSA-N 1 2 293.327 -1.188 20 0 CAADLO C[C@@H]1CN(C(=O)c2cnon2)C[C@H]1[NH2+]Cc1nnn(C)n1 ZINC000939351183 656394934 /nfs/dbraw/zinc/39/49/34/656394934.db2.gz XTCPGHCKPSLWQD-VXNVDRBHSA-N 1 2 292.303 -1.157 20 0 CAADLO Cc1[nH+]c[nH]c1CC(=O)N(C)[C@@H]1CCN(C(=O)C(N)=O)C1 ZINC000939369144 656395705 /nfs/dbraw/zinc/39/57/05/656395705.db2.gz HRIMTGKOZIPQIB-SECBINFHSA-N 1 2 293.327 -1.195 20 0 CAADLO Cn1cncc1C(=O)NCC1C[NH+](CC(N)=O)C1 ZINC001031819029 656396044 /nfs/dbraw/zinc/39/60/44/656396044.db2.gz JCFJFBOPVZFOLT-UHFFFAOYSA-N 1 2 251.290 -1.433 20 0 CAADLO O=C(NCC1C[NH+](CCO)C1)[C@H]1CCS(=O)(=O)C1 ZINC001031825073 656396240 /nfs/dbraw/zinc/39/62/40/656396240.db2.gz FBFQABYDBCEGIR-JTQLQIEISA-N 1 2 276.358 -1.539 20 0 CAADLO NC(=O)C[NH+]1CC(CNC(=O)c2cccc3ncnn32)C1 ZINC001031820073 656396288 /nfs/dbraw/zinc/39/62/88/656396288.db2.gz JGPCZBCGQOVBOL-UHFFFAOYSA-N 1 2 288.311 -1.124 20 0 CAADLO C[C@H](C(N)=O)[NH+]1CC(CNC(=O)c2ccc(C(N)=O)o2)C1 ZINC001031831130 656396928 /nfs/dbraw/zinc/39/69/28/656396928.db2.gz ZXMJPIKFOXJDIM-SSDOTTSWSA-N 1 2 294.311 -1.086 20 0 CAADLO COc1cc(C(=O)NCC2C[NH+]([C@H](C)C(N)=O)C2)nn1C ZINC001031834834 656397331 /nfs/dbraw/zinc/39/73/31/656397331.db2.gz SJMBKFPJHQAZSB-MRVPVSSYSA-N 1 2 295.343 -1.036 20 0 CAADLO COCCn1ccc(C(=O)NCC2C[NH+](CC(N)=O)C2)n1 ZINC001031836476 656397559 /nfs/dbraw/zinc/39/75/59/656397559.db2.gz GPTBCQGOUUFGOF-UHFFFAOYSA-N 1 2 295.343 -1.324 20 0 CAADLO CNC(=O)C[NH+]1CC(CNC(=O)c2ncc(OC)cn2)C1 ZINC001031834067 656397607 /nfs/dbraw/zinc/39/76/07/656397607.db2.gz NMJRWKJSUKAYRS-UHFFFAOYSA-N 1 2 293.327 -1.107 20 0 CAADLO C[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1NC(=O)C(N)=O ZINC000939677070 656397854 /nfs/dbraw/zinc/39/78/54/656397854.db2.gz KPQFRNOKVANGRN-RKDXNWHRSA-N 1 2 293.327 -1.209 20 0 CAADLO C[C@H](C(N)=O)[NH+]1CC(CNC(=O)[C@@H]2CCNC(=O)CC2)C1 ZINC001031877314 656400713 /nfs/dbraw/zinc/40/07/13/656400713.db2.gz NMJYDDJEQPVCGZ-KOLCDFICSA-N 1 2 296.371 -1.176 20 0 CAADLO NC(=O)C[NH+]1CC(CNC(=O)c2coc(C(N)=O)c2)C1 ZINC001031872222 656400767 /nfs/dbraw/zinc/40/07/67/656400767.db2.gz GZDGXKHFWYFLQX-UHFFFAOYSA-N 1 2 280.284 -1.475 20 0 CAADLO NC(=O)C[NH+]1CC(CNC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1 ZINC001031871490 656400930 /nfs/dbraw/zinc/40/09/30/656400930.db2.gz DCBAAYIVFIPSND-GMXVVIOVSA-N 1 2 297.355 -1.429 20 0 CAADLO CNC(=O)C[NH+]1CC(CNC(=O)c2coc(C(N)=O)c2)C1 ZINC001031872149 656401013 /nfs/dbraw/zinc/40/10/13/656401013.db2.gz DVOFTWFWFARUMU-UHFFFAOYSA-N 1 2 294.311 -1.214 20 0 CAADLO CC[C@@H]1C[C@H](C(=O)NCC2C[NH+](CC(N)=O)C2)CC(=O)N1 ZINC001031874850 656401035 /nfs/dbraw/zinc/40/10/35/656401035.db2.gz YWQHFGKEANFEIP-WDEREUQCSA-N 1 2 296.371 -1.176 20 0 CAADLO C[C@@H](C(N)=O)[NH+]1CC(CNC(=O)[C@@H]2CCNC(=O)CC2)C1 ZINC001031877316 656401150 /nfs/dbraw/zinc/40/11/50/656401150.db2.gz NMJYDDJEQPVCGZ-ONGXEEELSA-N 1 2 296.371 -1.176 20 0 CAADLO CNC(=O)C[NH+]1CC(CNC(=O)c2csnn2)C1 ZINC001031880122 656401434 /nfs/dbraw/zinc/40/14/34/656401434.db2.gz GDCXUPVNUYZKDS-UHFFFAOYSA-N 1 2 269.330 -1.054 20 0 CAADLO CNC(=O)C[NH+]1CC(CNC(=O)c2[nH]nnc2C)C1 ZINC001031889413 656402170 /nfs/dbraw/zinc/40/21/70/656402170.db2.gz AEDUHJCLINLDPH-UHFFFAOYSA-N 1 2 266.305 -1.479 20 0 CAADLO COc1nn(C)cc1C(=O)NCC1C[NH+]([C@@H](C)C(N)=O)C1 ZINC001031893312 656402474 /nfs/dbraw/zinc/40/24/74/656402474.db2.gz QCYZSFVJBPAXPA-QMMMGPOBSA-N 1 2 295.343 -1.036 20 0 CAADLO O=C(C[NH+]1CC(CNC(=O)[C@H]2CCNC2=O)C1)N1CCC1 ZINC001031897784 656403130 /nfs/dbraw/zinc/40/31/30/656403130.db2.gz ZJQGBYODEQCXAP-NSHDSACASA-N 1 2 294.355 -1.597 20 0 CAADLO C[C@H](C(N)=O)[NH+]1CC(CNC(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC001031897311 656403309 /nfs/dbraw/zinc/40/33/09/656403309.db2.gz PMLABMIDLFROTC-VXNVDRBHSA-N 1 2 283.332 -2.068 20 0 CAADLO C[C@H](C(N)=O)[NH+]1CC(CNC(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC001031897305 656403369 /nfs/dbraw/zinc/40/33/69/656403369.db2.gz PMLABMIDLFROTC-APPZFPTMSA-N 1 2 283.332 -2.068 20 0 CAADLO C[C@@H](C(N)=O)[NH+]1CC(CNC(=O)c2c[nH]c(=O)n2C)C1 ZINC001031898405 656403382 /nfs/dbraw/zinc/40/33/82/656403382.db2.gz IWGCQEYOEROKQH-ZETCQYMHSA-N 1 2 281.316 -1.339 20 0 CAADLO C[C@H](C(N)=O)[NH+]1CC(CNC(=O)[C@H]2CCNC2=O)C1 ZINC001031898900 656403526 /nfs/dbraw/zinc/40/35/26/656403526.db2.gz ORTHXGVEZSYHML-APPZFPTMSA-N 1 2 268.317 -1.956 20 0 CAADLO CN(C)C(=O)C[NH+]1CC(CNC(=O)[C@H]2CC[C@@H]2C(N)=O)C1 ZINC001031899588 656403721 /nfs/dbraw/zinc/40/37/21/656403721.db2.gz QWOKZSINKVXEJV-QWRGUYRKSA-N 1 2 296.371 -1.366 20 0 CAADLO O=C(C[NH+]1CC(CNC(=O)[C@H]2CCNC2=O)C1)NC1CC1 ZINC001031900294 656403858 /nfs/dbraw/zinc/40/38/58/656403858.db2.gz NJLFYDSSSBPULH-NSHDSACASA-N 1 2 294.355 -1.551 20 0 CAADLO CNC(=O)C[NH+]1CC(CNC(=O)c2c[nH]c(=O)n2C)C1 ZINC001031898912 656403907 /nfs/dbraw/zinc/40/39/07/656403907.db2.gz OZFBWMGBMUUJNT-UHFFFAOYSA-N 1 2 281.316 -1.467 20 0 CAADLO CNC(=O)C[NH+]1CC(CNC(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC001031900518 656403946 /nfs/dbraw/zinc/40/39/46/656403946.db2.gz VNNPVAVDFRBWRN-VIFPVBQESA-N 1 2 283.332 -2.196 20 0 CAADLO C[C@@H](C(N)=O)[NH+]1CC(CNC(=O)[C@H]2CCNC2=O)C1 ZINC001031898901 656403983 /nfs/dbraw/zinc/40/39/83/656403983.db2.gz ORTHXGVEZSYHML-CBAPKCEASA-N 1 2 268.317 -1.956 20 0 CAADLO O=C(NCC1C[NH+]([C@H]2CCNC2=O)C1)[C@@H]1CCNC1=O ZINC001031900488 656404023 /nfs/dbraw/zinc/40/40/23/656404023.db2.gz ULMYKNKEWZJVGS-ZJUUUORDSA-N 1 2 280.328 -1.941 20 0 CAADLO CN1C[C@H](C(=O)NCC2C[NH+](CC(N)=O)C2)NC1=O ZINC001031902014 656404054 /nfs/dbraw/zinc/40/40/54/656404054.db2.gz DWIFZSQICMQOAT-MRVPVSSYSA-N 1 2 269.305 -2.457 20 0 CAADLO CN(C)C(=O)C[NH+]1CC(CNC(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC001031900873 656404064 /nfs/dbraw/zinc/40/40/64/656404064.db2.gz FWCXLJSKZPHUDJ-JTQLQIEISA-N 1 2 297.359 -1.854 20 0 CAADLO C[C@@H]1CN(C(=O)CC(N)=O)C[C@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC000940704765 656404714 /nfs/dbraw/zinc/40/47/14/656404714.db2.gz DACARZVYBLVYCW-PSASIEDQSA-N 1 2 293.327 -1.209 20 0 CAADLO Cn1nnc(C(=O)NCC2C[NH+]([C@@H]3CCNC3=O)C2)n1 ZINC001031904914 656404749 /nfs/dbraw/zinc/40/47/49/656404749.db2.gz NVLVRHZRPNLBQE-MRVPVSSYSA-N 1 2 279.304 -2.240 20 0 CAADLO C[C@@H](C(N)=O)[NH+]1CC(CNC(=O)[C@H]2CCN(C)C2=O)C1 ZINC001031908664 656405446 /nfs/dbraw/zinc/40/54/46/656405446.db2.gz ZSYYWYBDIDAEIH-WCBMZHEXSA-N 1 2 282.344 -1.614 20 0 CAADLO CNC(=O)C[NH+]1CC(CNC(=O)c2c(C)nc[nH]c2=O)C1 ZINC001031914300 656405690 /nfs/dbraw/zinc/40/56/90/656405690.db2.gz GOLFEXUDTDEXLE-UHFFFAOYSA-N 1 2 293.327 -1.102 20 0 CAADLO CN1CC[C@@H](C(=O)NCC2C[NH+]([C@@H]3CCNC3=O)C2)C1=O ZINC001031911802 656405834 /nfs/dbraw/zinc/40/58/34/656405834.db2.gz DJJBZTJRKSGHMZ-WDEREUQCSA-N 1 2 294.355 -1.599 20 0 CAADLO CNC(=O)C[NH+]1CC(CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001031907223 656405959 /nfs/dbraw/zinc/40/59/59/656405959.db2.gz BGIWXWWYNGKCDM-IAZYJMLFSA-N 1 2 267.329 -1.327 20 0 CAADLO NC(=O)C[NH+]1CC(CNC(=O)c2csc(=O)[nH]2)C1 ZINC001031914154 656406001 /nfs/dbraw/zinc/40/60/01/656406001.db2.gz COVDGEPSLCTFIW-UHFFFAOYSA-N 1 2 270.314 -1.004 20 0 CAADLO CN1CC[C@H](C(=O)NCC2C[NH+]([C@H]3CCNC3=O)C2)C1=O ZINC001031911799 656406022 /nfs/dbraw/zinc/40/60/22/656406022.db2.gz DJJBZTJRKSGHMZ-MNOVXSKESA-N 1 2 294.355 -1.599 20 0 CAADLO CN1CC[C@H](C(=O)NCC2C[NH+](CC(N)=O)C2)C1=O ZINC001031913425 656406095 /nfs/dbraw/zinc/40/60/95/656406095.db2.gz XPLVWWXCUPYSBT-SECBINFHSA-N 1 2 268.317 -2.002 20 0 CAADLO NC(=O)C[NH+]1CC(CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001031907844 656406166 /nfs/dbraw/zinc/40/61/66/656406166.db2.gz JPZVMRZVWWNLQK-JZYVYDRUSA-N 1 2 253.302 -1.588 20 0 CAADLO NC(=O)C[NH+]1CC(CNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001031940682 656408387 /nfs/dbraw/zinc/40/83/87/656408387.db2.gz YBGWSFFEJLIGMJ-ZETCQYMHSA-N 1 2 255.278 -2.799 20 0 CAADLO NC(=O)C(=O)N1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000941262745 656408862 /nfs/dbraw/zinc/40/88/62/656408862.db2.gz ZCJHNMBWZALMGU-IWSPIJDZSA-N 1 2 291.311 -1.284 20 0 CAADLO NC(=O)C(=O)N1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC000941262745 656408865 /nfs/dbraw/zinc/40/88/65/656408865.db2.gz ZCJHNMBWZALMGU-IWSPIJDZSA-N 1 2 291.311 -1.284 20 0 CAADLO CN(C)C(=O)C[NH+]1CC(CNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001031940257 656408942 /nfs/dbraw/zinc/40/89/42/656408942.db2.gz QERJNTOEPJCBLN-VIFPVBQESA-N 1 2 283.332 -2.196 20 0 CAADLO O=C(C[NH+]1CC(CNC(=O)[C@H]2CNC(=O)N2)C1)NC1CC1 ZINC001031940728 656409052 /nfs/dbraw/zinc/40/90/52/656409052.db2.gz ZIPWIKHHVAIVNO-SNVBAGLBSA-N 1 2 295.343 -2.006 20 0 CAADLO O=C(NCC1C[NH+]([C@H]2CCNC2=O)C1)[C@@H]1CNC(=O)N1 ZINC001031940385 656410554 /nfs/dbraw/zinc/41/05/54/656410554.db2.gz SOQBSOOEDMBJCC-IUCAKERBSA-N 1 2 281.316 -2.396 20 0 CAADLO C[C@@H](C(N)=O)[NH+]1CC(CNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001031942930 656410588 /nfs/dbraw/zinc/41/05/88/656410588.db2.gz VICKAFRWLJSHRT-XPUUQOCRSA-N 1 2 269.305 -2.410 20 0 CAADLO NC(=O)C(=O)N1CC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000941305706 656410939 /nfs/dbraw/zinc/41/09/39/656410939.db2.gz CDZFQJCLGQCTTK-MRVPVSSYSA-N 1 2 265.273 -1.915 20 0 CAADLO Cn1nccc1C[NH+]1CC(CNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001031944740 656412289 /nfs/dbraw/zinc/41/22/89/656412289.db2.gz DDEGPHPGYPMTJX-NSHDSACASA-N 1 2 292.343 -1.351 20 0 CAADLO NC(=O)C(=O)N1CCCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC000941389931 656412416 /nfs/dbraw/zinc/41/24/16/656412416.db2.gz WDAKWHDEGFJOPX-UHFFFAOYSA-N 1 2 293.327 -1.112 20 0 CAADLO NC(=O)C(=O)N1CCCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC000941389931 656412418 /nfs/dbraw/zinc/41/24/18/656412418.db2.gz WDAKWHDEGFJOPX-UHFFFAOYSA-N 1 2 293.327 -1.112 20 0 CAADLO CN(C)C(=O)C[NH+]1CC(CNC(=O)c2cn(C)c(=O)[nH]2)C1 ZINC001031951042 656413975 /nfs/dbraw/zinc/41/39/75/656413975.db2.gz LCIZGDICTLUXOP-UHFFFAOYSA-N 1 2 295.343 -1.125 20 0 CAADLO NC(=O)C(=O)N1CCCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC000941510071 656414572 /nfs/dbraw/zinc/41/45/72/656414572.db2.gz BZCJTSLCAXWMPR-UHFFFAOYSA-N 1 2 279.300 -1.571 20 0 CAADLO Cn1c(C(=O)NCC2C[NH+](CC(N)=O)C2)cccc1=O ZINC001031966945 656442854 /nfs/dbraw/zinc/44/28/54/656442854.db2.gz VKPPEIFEHHBEEO-UHFFFAOYSA-N 1 2 278.312 -1.468 20 0 CAADLO CNC(=O)C[NH+]1CC(CNC(=O)[C@H]2CCCCC(=O)N2)C1 ZINC001031968556 656443071 /nfs/dbraw/zinc/44/30/71/656443071.db2.gz AGEWCBOMZYWSKS-LLVKDONJSA-N 1 2 296.371 -1.161 20 0 CAADLO Cc1c[nH+]cn1CC(=O)N1CC(NC(=O)c2cn[nH]n2)C1 ZINC000995177862 656444967 /nfs/dbraw/zinc/44/49/67/656444967.db2.gz QBXMZIHQCOCPIG-UHFFFAOYSA-N 1 2 289.299 -1.050 20 0 CAADLO Cc1c[nH+]cn1CC(=O)N1CC(NC(=O)c2cnn[nH]2)C1 ZINC000995177862 656444976 /nfs/dbraw/zinc/44/49/76/656444976.db2.gz QBXMZIHQCOCPIG-UHFFFAOYSA-N 1 2 289.299 -1.050 20 0 CAADLO C[C@H](C(N)=O)[NH+]1CC(CNC(=O)[C@H]2C[C@H]2C(=O)N(C)C)C1 ZINC001031978874 656447147 /nfs/dbraw/zinc/44/71/47/656447147.db2.gz NQMFTPNHPLPZBF-DVVUODLYSA-N 1 2 296.371 -1.368 20 0 CAADLO NC(=O)C[NH+]1CC(CNC(=O)[C@H]2CC[C@@H](C(N)=O)C2)C1 ZINC001031981037 656449019 /nfs/dbraw/zinc/44/90/19/656449019.db2.gz OXMVXLCIOKVIED-ZJUUUORDSA-N 1 2 282.344 -1.579 20 0 CAADLO CNC(=O)C[NH+]1CC(CNC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001031981901 656449367 /nfs/dbraw/zinc/44/93/67/656449367.db2.gz XHPFIRFZIKEAPI-BDAKNGLRSA-N 1 2 268.317 -2.098 20 0 CAADLO C[C@@H](C(N)=O)[NH+]1CC(CNC(=O)[C@H]2CC[C@@H](C(N)=O)C2)C1 ZINC001031981280 656450186 /nfs/dbraw/zinc/45/01/86/656450186.db2.gz XGISSOKPWLPHCX-GDPRMGEGSA-N 1 2 296.371 -1.190 20 0 CAADLO CCn1nc(C(=O)N[C@@H]2CC[N@H+](CC(N)=O)C2)ccc1=O ZINC001015869716 656453469 /nfs/dbraw/zinc/45/34/69/656453469.db2.gz PBLHANRGDAXLBW-SECBINFHSA-N 1 2 293.327 -1.447 20 0 CAADLO CCn1nc(C(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C2)ccc1=O ZINC001015869716 656453481 /nfs/dbraw/zinc/45/34/81/656453481.db2.gz PBLHANRGDAXLBW-SECBINFHSA-N 1 2 293.327 -1.447 20 0 CAADLO Cn1cc[nH+]c1CCC(=O)N1CC[C@@H](NC(=O)C(N)=O)C1 ZINC000942303644 656455721 /nfs/dbraw/zinc/45/57/21/656455721.db2.gz TUCXZAUERIVKQK-SECBINFHSA-N 1 2 293.327 -1.445 20 0 CAADLO Cn1c[nH+]cc1CCC(=O)N1CC[C@@H](NC(=O)C(N)=O)C1 ZINC000942303719 656455905 /nfs/dbraw/zinc/45/59/05/656455905.db2.gz WTHVGGYNIABWJX-SECBINFHSA-N 1 2 293.327 -1.445 20 0 CAADLO NC(=O)C(=O)N[C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC000942307471 656457332 /nfs/dbraw/zinc/45/73/32/656457332.db2.gz FJPPDZKUACYNTN-SECBINFHSA-N 1 2 279.300 -1.455 20 0 CAADLO NC(=O)C(=O)N[C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC000942307471 656457334 /nfs/dbraw/zinc/45/73/34/656457334.db2.gz FJPPDZKUACYNTN-SECBINFHSA-N 1 2 279.300 -1.455 20 0 CAADLO NC(=O)C(=O)N[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000942309654 656458898 /nfs/dbraw/zinc/45/88/98/656458898.db2.gz JLHWASKEBBISFM-MRVPVSSYSA-N 1 2 265.273 -1.915 20 0 CAADLO CNC(=O)C[NH+]1CC(CNC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001032013807 656459521 /nfs/dbraw/zinc/45/95/21/656459521.db2.gz MNVBPXDSMVMTQA-QMMMGPOBSA-N 1 2 297.315 -2.622 20 0 CAADLO CCCN1C[C@@H](C(=O)NCC2C[NH+](CC(N)=O)C2)CC1=O ZINC001032016696 656459549 /nfs/dbraw/zinc/45/95/49/656459549.db2.gz UFSZMQNXCBIYPS-NSHDSACASA-N 1 2 296.371 -1.222 20 0 CAADLO NC(=O)C[NH+]1CC(CNC(=O)[C@@H]2CCC[C@@H](C(N)=O)C2)C1 ZINC001032020925 656460533 /nfs/dbraw/zinc/46/05/33/656460533.db2.gz ZFKOWHSQFCCQIH-GHMZBOCLSA-N 1 2 296.371 -1.189 20 0 CAADLO C[C@@H]1C[N@H+](Cc2cnon2)CC[C@H]1NC(=O)C(N)=O ZINC000942592045 656461102 /nfs/dbraw/zinc/46/11/02/656461102.db2.gz RUMNFWAKSZJWPO-VXNVDRBHSA-N 1 2 267.289 -1.119 20 0 CAADLO C[C@@H]1C[N@@H+](Cc2cnon2)CC[C@H]1NC(=O)C(N)=O ZINC000942592045 656461105 /nfs/dbraw/zinc/46/11/05/656461105.db2.gz RUMNFWAKSZJWPO-VXNVDRBHSA-N 1 2 267.289 -1.119 20 0 CAADLO Cc1c[nH]c(C(=O)NCC2C[NH+](CC(N)=O)C2)n1 ZINC001032040404 656461455 /nfs/dbraw/zinc/46/14/55/656461455.db2.gz BAXXNXSAYNVMFR-UHFFFAOYSA-N 1 2 251.290 -1.135 20 0 CAADLO C[C@H]1C[N@H+](Cc2nncn2C)CC[C@H]1NC(=O)C(N)=O ZINC000942592329 656461458 /nfs/dbraw/zinc/46/14/58/656461458.db2.gz WIKKVNUJKZLKGM-DTWKUNHWSA-N 1 2 280.332 -1.373 20 0 CAADLO C[C@H]1C[N@@H+](Cc2nncn2C)CC[C@H]1NC(=O)C(N)=O ZINC000942592329 656461459 /nfs/dbraw/zinc/46/14/59/656461459.db2.gz WIKKVNUJKZLKGM-DTWKUNHWSA-N 1 2 280.332 -1.373 20 0 CAADLO C[C@H]1C[N@H+](Cc2nncn2C)CC[C@@H]1NC(=O)C(N)=O ZINC000942592330 656461482 /nfs/dbraw/zinc/46/14/82/656461482.db2.gz WIKKVNUJKZLKGM-IUCAKERBSA-N 1 2 280.332 -1.373 20 0 CAADLO C[C@H]1C[N@@H+](Cc2nncn2C)CC[C@@H]1NC(=O)C(N)=O ZINC000942592330 656461484 /nfs/dbraw/zinc/46/14/84/656461484.db2.gz WIKKVNUJKZLKGM-IUCAKERBSA-N 1 2 280.332 -1.373 20 0 CAADLO C[C@@H]1C[N@H+](Cc2cn(C)nn2)CC[C@H]1NC(=O)C(N)=O ZINC000942591626 656461577 /nfs/dbraw/zinc/46/15/77/656461577.db2.gz MFPSOJGZJWZXOG-PSASIEDQSA-N 1 2 280.332 -1.373 20 0 CAADLO C[C@@H]1C[N@@H+](Cc2cn(C)nn2)CC[C@H]1NC(=O)C(N)=O ZINC000942591626 656461581 /nfs/dbraw/zinc/46/15/81/656461581.db2.gz MFPSOJGZJWZXOG-PSASIEDQSA-N 1 2 280.332 -1.373 20 0 CAADLO C[C@H]1C[N@H+](Cc2cn(C)nn2)CC[C@H]1NC(=O)C(N)=O ZINC000942591628 656461774 /nfs/dbraw/zinc/46/17/74/656461774.db2.gz MFPSOJGZJWZXOG-WCBMZHEXSA-N 1 2 280.332 -1.373 20 0 CAADLO C[C@H]1C[N@@H+](Cc2cn(C)nn2)CC[C@H]1NC(=O)C(N)=O ZINC000942591628 656461777 /nfs/dbraw/zinc/46/17/77/656461777.db2.gz MFPSOJGZJWZXOG-WCBMZHEXSA-N 1 2 280.332 -1.373 20 0 CAADLO C[C@@H]1C[N@H+](Cc2ncnn2C)CC[C@H]1NC(=O)C(N)=O ZINC000942590783 656461842 /nfs/dbraw/zinc/46/18/42/656461842.db2.gz AGPNMMROUURUBX-RKDXNWHRSA-N 1 2 280.332 -1.373 20 0 CAADLO C[C@@H]1C[N@@H+](Cc2ncnn2C)CC[C@H]1NC(=O)C(N)=O ZINC000942590783 656461846 /nfs/dbraw/zinc/46/18/46/656461846.db2.gz AGPNMMROUURUBX-RKDXNWHRSA-N 1 2 280.332 -1.373 20 0 CAADLO Cc1nnc(C[N@@H+]2CC[C@H](NC(=O)C(N)=O)[C@H](C)C2)[nH]1 ZINC000942591570 656461877 /nfs/dbraw/zinc/46/18/77/656461877.db2.gz LBEITOSOUFPNKG-APPZFPTMSA-N 1 2 280.332 -1.075 20 0 CAADLO Cc1nnc(C[N@H+]2CC[C@H](NC(=O)C(N)=O)[C@H](C)C2)[nH]1 ZINC000942591570 656461883 /nfs/dbraw/zinc/46/18/83/656461883.db2.gz LBEITOSOUFPNKG-APPZFPTMSA-N 1 2 280.332 -1.075 20 0 CAADLO NC(=O)C[NH+]1CC(CNC(=O)c2ccc3nncn3c2)C1 ZINC001032049425 656462132 /nfs/dbraw/zinc/46/21/32/656462132.db2.gz HHEHBDHLPSQSFP-UHFFFAOYSA-N 1 2 288.311 -1.124 20 0 CAADLO C[C@H](C(N)=O)[NH+]1CC(CNC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001032047444 656462389 /nfs/dbraw/zinc/46/23/89/656462389.db2.gz AFXRJONAVBTZDB-SSDOTTSWSA-N 1 2 296.327 -2.039 20 0 CAADLO Cn1ncc(C(=O)NCC2C[NH+]([C@@H]3CCNC3=O)C2)n1 ZINC001032051223 656462605 /nfs/dbraw/zinc/46/26/05/656462605.db2.gz YNEMVYPZJWNNKV-SNVBAGLBSA-N 1 2 278.316 -1.635 20 0 CAADLO CNC(=O)C[NH+]1CC(CNC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001032051281 656462728 /nfs/dbraw/zinc/46/27/28/656462728.db2.gz HOCOVYSOAKUTHD-UHFFFAOYSA-N 1 2 296.327 -2.167 20 0 CAADLO NC(=O)C[NH+]1CC(CNC(=O)c2ccc(C(N)=O)s2)C1 ZINC001032050532 656462735 /nfs/dbraw/zinc/46/27/35/656462735.db2.gz BNFMXHDNRVWFGS-UHFFFAOYSA-N 1 2 296.352 -1.006 20 0 CAADLO O=C(C[NH+]1CC(CNC(=O)c2cnon2)C1)N1CCC1 ZINC001032063997 656463181 /nfs/dbraw/zinc/46/31/81/656463181.db2.gz ZNTHOKMREHSSNP-UHFFFAOYSA-N 1 2 279.300 -1.037 20 0 CAADLO O=C(NCC1C[NH+]([C@@H]2CCNC2=O)C1)c1cnon1 ZINC001032063847 656463451 /nfs/dbraw/zinc/46/34/51/656463451.db2.gz SEAMTRPNYSWNBJ-SECBINFHSA-N 1 2 265.273 -1.380 20 0 CAADLO CNC(=O)C[NH+]1CC(CNC(=O)c2cccnn2)C1 ZINC001032065625 656463668 /nfs/dbraw/zinc/46/36/68/656463668.db2.gz FLVLIYXJTRLTSS-UHFFFAOYSA-N 1 2 263.301 -1.116 20 0 CAADLO C[C@@H]1OCC[C@H]1C(=O)NCC1C[NH+](CC(N)=O)C1 ZINC001032073589 656463740 /nfs/dbraw/zinc/46/37/40/656463740.db2.gz DPHULQCDSWIXFL-WCBMZHEXSA-N 1 2 255.318 -1.055 20 0 CAADLO CN1CC[C@H]([NH+]2CC(CNC(=O)c3cnon3)C2)C1=O ZINC001032063320 656463860 /nfs/dbraw/zinc/46/38/60/656463860.db2.gz UZTYKKZDCIEPRW-JTQLQIEISA-N 1 2 279.300 -1.038 20 0 CAADLO CCn1cc(C(=O)NCC2C[NH+]([C@H]3CCNC3=O)C2)nn1 ZINC001032081354 656464004 /nfs/dbraw/zinc/46/40/04/656464004.db2.gz MSMJPGMLDONHJW-NSHDSACASA-N 1 2 292.343 -1.152 20 0 CAADLO NC(=O)C(=O)N[C@H]1CCCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000943490826 656464055 /nfs/dbraw/zinc/46/40/55/656464055.db2.gz KYLGFYGOEGGXJE-VIFPVBQESA-N 1 2 293.327 -1.065 20 0 CAADLO NC(=O)C[NH+]1CC(CNC(=O)c2cc(C(N)=O)c[nH]2)C1 ZINC001032075812 656464211 /nfs/dbraw/zinc/46/42/11/656464211.db2.gz WCBBZAPMVLBEAK-UHFFFAOYSA-N 1 2 279.300 -1.740 20 0 CAADLO NC(=O)C(=O)N[C@H]1CCCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000943487048 656464313 /nfs/dbraw/zinc/46/43/13/656464313.db2.gz MATICXPANWNRDC-VIFPVBQESA-N 1 2 293.327 -1.065 20 0 CAADLO NC(=O)C(=O)N1CCCC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000943341954 656464480 /nfs/dbraw/zinc/46/44/80/656464480.db2.gz HPDLUXTYPSUGPR-JTQLQIEISA-N 1 2 293.327 -1.134 20 0 CAADLO NC(=O)C(=O)N[C@@H]1CCCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000943492656 656464633 /nfs/dbraw/zinc/46/46/33/656464633.db2.gz MQTCPLVKIMSLDL-SNVBAGLBSA-N 1 2 293.327 -1.134 20 0 CAADLO C#CCN1CCN(C(=O)C[N@H+]2CCC[C@H]2C(=O)NC)CC1 ZINC000081668438 656464806 /nfs/dbraw/zinc/46/48/06/656464806.db2.gz VOKNVVRUXGZCMK-ZDUSSCGKSA-N 1 2 292.383 -1.026 20 0 CAADLO C#CCN1CCN(C(=O)C[N@@H+]2CCC[C@H]2C(=O)NC)CC1 ZINC000081668438 656464810 /nfs/dbraw/zinc/46/48/10/656464810.db2.gz VOKNVVRUXGZCMK-ZDUSSCGKSA-N 1 2 292.383 -1.026 20 0 CAADLO C[C@H]1C[N@H+](CC(N)=O)CC[C@H]1NC(=O)c1nnc[nH]1 ZINC000943702581 656465272 /nfs/dbraw/zinc/46/52/72/656465272.db2.gz OYPLPGJUCZNZII-JGVFFNPUSA-N 1 2 266.305 -1.270 20 0 CAADLO C[C@H]1C[N@@H+](CC(N)=O)CC[C@H]1NC(=O)c1nnc[nH]1 ZINC000943702581 656465276 /nfs/dbraw/zinc/46/52/76/656465276.db2.gz OYPLPGJUCZNZII-JGVFFNPUSA-N 1 2 266.305 -1.270 20 0 CAADLO C[C@H]1C[N@H+](CC(N)=O)CC[C@H]1NC(=O)c1ncn[nH]1 ZINC000943702581 656465282 /nfs/dbraw/zinc/46/52/82/656465282.db2.gz OYPLPGJUCZNZII-JGVFFNPUSA-N 1 2 266.305 -1.270 20 0 CAADLO C[C@H]1C[N@@H+](CC(N)=O)CC[C@H]1NC(=O)c1ncn[nH]1 ZINC000943702581 656465284 /nfs/dbraw/zinc/46/52/84/656465284.db2.gz OYPLPGJUCZNZII-JGVFFNPUSA-N 1 2 266.305 -1.270 20 0 CAADLO CNC(=O)C[NH+]1CC(CNC(=O)c2ccc(OC)nn2)C1 ZINC001032102406 656465534 /nfs/dbraw/zinc/46/55/34/656465534.db2.gz NMABPDFZYVFWAB-UHFFFAOYSA-N 1 2 293.327 -1.107 20 0 CAADLO NC(=O)C[NH+]1CC(CNC(=O)[C@H]2CCCCN2C(N)=O)C1 ZINC001032119666 656465900 /nfs/dbraw/zinc/46/59/00/656465900.db2.gz YBDXJFSZCYZRAM-SNVBAGLBSA-N 1 2 297.359 -1.547 20 0 CAADLO NC(=O)C[NH+]1CC(CNC(=O)[C@@H]2C[C@]23CCOC3)C1 ZINC001032117568 656466160 /nfs/dbraw/zinc/46/61/60/656466160.db2.gz YSMATYBFWWFVFD-GWCFXTLKSA-N 1 2 267.329 -1.054 20 0 CAADLO CC(=O)N1CC[C@H](C(=O)NCC2C[NH+]([C@H](C)C(N)=O)C2)C1 ZINC001032156805 656466686 /nfs/dbraw/zinc/46/66/86/656466686.db2.gz ZIZWECUTDMVUKS-SKDRFNHKSA-N 1 2 296.371 -1.223 20 0 CAADLO CNC(=O)C[NH+]1CC(CNC(=O)[C@@H]2CCCN2C(C)=O)C1 ZINC001032139114 656467022 /nfs/dbraw/zinc/46/70/22/656467022.db2.gz VFBPQXGUKUHGTK-LBPRGKRZSA-N 1 2 296.371 -1.209 20 0 CAADLO CC(=O)N1CC[C@H](C(=O)NCC2C[NH+](CC(N)=O)C2)C1 ZINC001032155398 656467179 /nfs/dbraw/zinc/46/71/79/656467179.db2.gz CWSAIQHHVHOWOX-NSHDSACASA-N 1 2 282.344 -1.612 20 0 CAADLO COc1c(C(=O)NCC2C[NH+](CC(N)=O)C2)cnn1C ZINC001032156501 656467495 /nfs/dbraw/zinc/46/74/95/656467495.db2.gz SYVYBYHAQIELGO-UHFFFAOYSA-N 1 2 281.316 -1.424 20 0 CAADLO COc1cc[nH]c(=O)c1C(=O)NCC1C[NH+](CC(N)=O)C1 ZINC001032133141 656467521 /nfs/dbraw/zinc/46/75/21/656467521.db2.gz YHZUXKANUFWCKN-UHFFFAOYSA-N 1 2 294.311 -1.057 20 0 CAADLO C[C@@H](C(N)=O)[NH+]1CC(CNC(=O)c2cccn(C)c2=O)C1 ZINC001032136252 656467536 /nfs/dbraw/zinc/46/75/36/656467536.db2.gz HWHXEOTXVVSNBA-VIFPVBQESA-N 1 2 292.339 -1.079 20 0 CAADLO Cn1cccc(C(=O)NCC2C[NH+](CC(N)=O)C2)c1=O ZINC001032136187 656467554 /nfs/dbraw/zinc/46/75/54/656467554.db2.gz FEUCWPXMUUJNLN-UHFFFAOYSA-N 1 2 278.312 -1.468 20 0 CAADLO CNC(=O)C[NH+]1CC(CNC(=O)c2ccn(C)n2)C1 ZINC001032184169 656467917 /nfs/dbraw/zinc/46/79/17/656467917.db2.gz CQGPALGAOBRWCR-UHFFFAOYSA-N 1 2 265.317 -1.172 20 0 CAADLO Cn1ccc(C(=O)NCC2C[NH+]([C@H]3CCNC3=O)C2)n1 ZINC001032185063 656468021 /nfs/dbraw/zinc/46/80/21/656468021.db2.gz VDNYVJQQOJYUHV-NSHDSACASA-N 1 2 277.328 -1.030 20 0 CAADLO C[C@@H](C(N)=O)[NH+]1CC(CNC(=O)[C@@H]2CCCC(=O)N2C)C1 ZINC001032160817 656468284 /nfs/dbraw/zinc/46/82/84/656468284.db2.gz IMWDAPWXOIKCSA-ONGXEEELSA-N 1 2 296.371 -1.081 20 0 CAADLO Cn1ccc(C(=O)NCC2C[NH+]([C@@H]3CCNC3=O)C2)n1 ZINC001032185062 656468300 /nfs/dbraw/zinc/46/83/00/656468300.db2.gz VDNYVJQQOJYUHV-LLVKDONJSA-N 1 2 277.328 -1.030 20 0 CAADLO C[C@H](C(N)=O)[NH+]1CC(CNC(=O)[C@@H]2CCCC(=O)N2C)C1 ZINC001032160815 656468315 /nfs/dbraw/zinc/46/83/15/656468315.db2.gz IMWDAPWXOIKCSA-KOLCDFICSA-N 1 2 296.371 -1.081 20 0 CAADLO NC(=O)C[NH+]1CC(CNC(=O)C2CCN(C(N)=O)CC2)C1 ZINC001032177153 656468400 /nfs/dbraw/zinc/46/84/00/656468400.db2.gz GHLMIVHRPSKULK-UHFFFAOYSA-N 1 2 297.359 -1.690 20 0 CAADLO NC(=O)C[NH+]1CC(CNC(=O)c2c[nH]c(C(N)=O)c2)C1 ZINC001032188338 656469085 /nfs/dbraw/zinc/46/90/85/656469085.db2.gz YOAMMVYIGXALEL-UHFFFAOYSA-N 1 2 279.300 -1.740 20 0 CAADLO O=C(NCC1C[NH+](CCCO)C1)[C@H]1CCCS1(=O)=O ZINC001032197499 656470188 /nfs/dbraw/zinc/47/01/88/656470188.db2.gz MCHNKXFSJILOTI-LLVKDONJSA-N 1 2 290.385 -1.006 20 0 CAADLO C[C@@H](O)C[NH+]1CC(CNC(=O)[C@@H]2CCCS2(=O)=O)C1 ZINC001032198489 656470340 /nfs/dbraw/zinc/47/03/40/656470340.db2.gz MOVUJDDKWBKLCQ-KOLCDFICSA-N 1 2 290.385 -1.008 20 0 CAADLO O=C(NCC1C[NH+](CCF)C1)[C@H]1CCS(=O)(=O)N1 ZINC001032194390 656470377 /nfs/dbraw/zinc/47/03/77/656470377.db2.gz QWWWWQNRERCJIT-SECBINFHSA-N 1 2 279.337 -1.304 20 0 CAADLO CC(=O)N1CCOC[C@@H]1C(=O)NCC1C[NH+](CC(N)=O)C1 ZINC001032195967 656470422 /nfs/dbraw/zinc/47/04/22/656470422.db2.gz IVETYJRIKBUEIR-LLVKDONJSA-N 1 2 298.343 -2.233 20 0 CAADLO NC(=O)C[NH+]1CC(CNC(=O)[C@@H]2CCc3nncn3C2)C1 ZINC001032204173 656471601 /nfs/dbraw/zinc/47/16/01/656471601.db2.gz LOJZPVRYBXFCRA-SNVBAGLBSA-N 1 2 292.343 -1.626 20 0 CAADLO C[C@@H](C(N)=O)[NH+]1CC(CNC(=O)c2cn(C)c(=O)n2C)C1 ZINC001032211771 656472521 /nfs/dbraw/zinc/47/25/21/656472521.db2.gz YQCSEIVUKLSEKV-QMMMGPOBSA-N 1 2 295.343 -1.741 20 0 CAADLO C[C@@H](C(N)=O)[NH+]1CC(CNC(=O)[C@H]2CCC(=O)N(C)C2)C1 ZINC001032209558 656472682 /nfs/dbraw/zinc/47/26/82/656472682.db2.gz QGFWXDREUVJKRB-ONGXEEELSA-N 1 2 296.371 -1.223 20 0 CAADLO CNC(=O)C[NH+]1CC(CNC(=O)[C@H]2CCC(=O)N(C)C2)C1 ZINC001032208150 656472795 /nfs/dbraw/zinc/47/27/95/656472795.db2.gz MMGSMFVRBCDMRY-NSHDSACASA-N 1 2 296.371 -1.351 20 0 CAADLO NC(=O)C(=O)N1CC(NC(=O)c2cccc3[nH+]ccn32)C1 ZINC000995540119 656472949 /nfs/dbraw/zinc/47/29/49/656472949.db2.gz HKDGBJSHBMEPSY-UHFFFAOYSA-N 1 2 287.279 -1.240 20 0 CAADLO NC(=O)C[NH+]1CC(CNC(=O)c2cccc(C(N)=O)n2)C1 ZINC001032214622 656474003 /nfs/dbraw/zinc/47/40/03/656474003.db2.gz LBKIOKBUHRUIMB-UHFFFAOYSA-N 1 2 291.311 -1.673 20 0 CAADLO COCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@H]1CCC(=O)NC1=O ZINC001032236218 656475742 /nfs/dbraw/zinc/47/57/42/656475742.db2.gz NDTSYSWWXURBEQ-GUBZILKMSA-N 1 2 281.312 -1.277 20 0 CAADLO COCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2[C@H]1CCC(=O)NC1=O ZINC001032236218 656475744 /nfs/dbraw/zinc/47/57/44/656475744.db2.gz NDTSYSWWXURBEQ-GUBZILKMSA-N 1 2 281.312 -1.277 20 0 CAADLO Cc1nonc1C(=O)NCC1C[NH+]([C@H]2CCNC2=O)C1 ZINC001032224965 656475881 /nfs/dbraw/zinc/47/58/81/656475881.db2.gz TVVMELOCDCCJKE-VIFPVBQESA-N 1 2 279.300 -1.072 20 0 CAADLO C[C@H]1CN(C(=O)Cn2cc[nH+]c2)CC[C@@H]1NC(=O)C(N)=O ZINC000945384460 656477740 /nfs/dbraw/zinc/47/77/40/656477740.db2.gz LFZUNMYYWZHFRU-UWVGGRQHSA-N 1 2 293.327 -1.278 20 0 CAADLO C[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CC[C@@H]1NC(=O)C(N)=O ZINC000945480060 656478573 /nfs/dbraw/zinc/47/85/73/656478573.db2.gz FKZJFQHYFHUGGP-IUCAKERBSA-N 1 2 293.327 -1.209 20 0 CAADLO C[C@@H]1CN(C(=O)C(N)=O)CC[C@@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC000945487150 656479187 /nfs/dbraw/zinc/47/91/87/656479187.db2.gz QNLPJKDBCNHVDP-BDAKNGLRSA-N 1 2 293.327 -1.209 20 0 CAADLO C[C@@H]1CN(C(=O)C(N)=O)CC[C@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC000945489945 656479328 /nfs/dbraw/zinc/47/93/28/656479328.db2.gz CCLLHEAMYRPDDE-PSASIEDQSA-N 1 2 293.327 -1.209 20 0 CAADLO C[C@H]1CN(C(=O)C(N)=O)CC[C@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC000945489947 656479804 /nfs/dbraw/zinc/47/98/04/656479804.db2.gz CCLLHEAMYRPDDE-WCBMZHEXSA-N 1 2 293.327 -1.209 20 0 CAADLO C[C@@H]1CN(C(=O)C(N)=O)CC[C@@H]1NC(=O)Cn1cc[nH+]c1 ZINC000945499118 656479883 /nfs/dbraw/zinc/47/98/83/656479883.db2.gz OSQXIRGSFZSCMH-ZJUUUORDSA-N 1 2 293.327 -1.278 20 0 CAADLO C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC[C@H]1NC(=O)C(N)=O ZINC000945546792 656480672 /nfs/dbraw/zinc/48/06/72/656480672.db2.gz FTIHTWBMDSKUDA-PSASIEDQSA-N 1 2 293.327 -1.209 20 0 CAADLO NC(=O)CC(=O)N1CCC(NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC000945585569 656480733 /nfs/dbraw/zinc/48/07/33/656480733.db2.gz OCLCFRZFMOGPKN-UHFFFAOYSA-N 1 2 293.327 -1.065 20 0 CAADLO CC[C@@H](C(N)=O)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1cnnn1 ZINC001032269160 656481334 /nfs/dbraw/zinc/48/13/34/656481334.db2.gz GJUOOLVPKKHBQP-GUBZILKMSA-N 1 2 293.331 -1.778 20 0 CAADLO CC[C@@H](C(N)=O)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1cnnn1 ZINC001032269160 656481337 /nfs/dbraw/zinc/48/13/37/656481337.db2.gz GJUOOLVPKKHBQP-GUBZILKMSA-N 1 2 293.331 -1.778 20 0 CAADLO CCn1cc(C(=O)N[C@@H]2CC[N@@H+]([C@@H]3CCNC3=O)C2)nn1 ZINC001015916619 656483800 /nfs/dbraw/zinc/48/38/00/656483800.db2.gz OAXJWMPNMHKDDT-MWLCHTKSSA-N 1 2 292.343 -1.009 20 0 CAADLO CCn1cc(C(=O)N[C@@H]2CC[N@H+]([C@@H]3CCNC3=O)C2)nn1 ZINC001015916619 656483815 /nfs/dbraw/zinc/48/38/15/656483815.db2.gz OAXJWMPNMHKDDT-MWLCHTKSSA-N 1 2 292.343 -1.009 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)Cc2ncc[nH]2)C1 ZINC001015905192 656484242 /nfs/dbraw/zinc/48/42/42/656484242.db2.gz MCSWDHHLYDLAFC-QMMMGPOBSA-N 1 2 251.290 -1.372 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)Cc2ncc[nH]2)C1 ZINC001015905192 656484219 /nfs/dbraw/zinc/48/42/19/656484219.db2.gz MCSWDHHLYDLAFC-QMMMGPOBSA-N 1 2 251.290 -1.372 20 0 CAADLO CCn1cc(C(=O)N[C@@H]2CC[N@@H+]([C@H]3CCNC3=O)C2)nn1 ZINC001015916618 656484566 /nfs/dbraw/zinc/48/45/66/656484566.db2.gz OAXJWMPNMHKDDT-KOLCDFICSA-N 1 2 292.343 -1.009 20 0 CAADLO CCn1cc(C(=O)N[C@@H]2CC[N@H+]([C@H]3CCNC3=O)C2)nn1 ZINC001015916618 656484570 /nfs/dbraw/zinc/48/45/70/656484570.db2.gz OAXJWMPNMHKDDT-KOLCDFICSA-N 1 2 292.343 -1.009 20 0 CAADLO Cn1[nH]c(C[NH2+][C@H]2CN(C(=O)C(N)=O)CC2(C)C)nc1=O ZINC000996217501 656487691 /nfs/dbraw/zinc/48/76/91/656487691.db2.gz IMZUYLNPINECCF-ZETCQYMHSA-N 1 2 296.331 -2.080 20 0 CAADLO CC1(C)CN(C(=O)C(N)=O)C[C@@H]1[NH2+]Cc1cnon1 ZINC000996225087 656488235 /nfs/dbraw/zinc/48/82/35/656488235.db2.gz DGDMDZFWTPABFJ-QMMMGPOBSA-N 1 2 267.289 -1.119 20 0 CAADLO Cn1c[nH+]cc1CC(=O)NC1CN(C(=O)c2nc[nH]n2)C1 ZINC000996446337 656490561 /nfs/dbraw/zinc/49/05/61/656490561.db2.gz CXANLIDFKPHMRT-UHFFFAOYSA-N 1 2 289.299 -1.279 20 0 CAADLO Cn1c[nH+]cc1CC(=O)NC1CN(C(=O)c2cnon2)C1 ZINC000996446678 656490894 /nfs/dbraw/zinc/49/08/94/656490894.db2.gz GUKJJYSORZWCEM-UHFFFAOYSA-N 1 2 290.283 -1.014 20 0 CAADLO Cn1c[nH+]cc1CC(=O)NC1CN(C(=O)CC(N)=O)C1 ZINC000996445602 656490937 /nfs/dbraw/zinc/49/09/37/656490937.db2.gz YKKHKTBEULFDNJ-UHFFFAOYSA-N 1 2 279.300 -1.835 20 0 CAADLO CC(=O)N1CC[C@](C)(C(=O)N[C@H]2CC[N@H+](CC(N)=O)C2)C1 ZINC001015963893 656492224 /nfs/dbraw/zinc/49/22/24/656492224.db2.gz PXXMIKZLECOTBB-FZMZJTMJSA-N 1 2 296.371 -1.079 20 0 CAADLO CC(=O)N1CC[C@](C)(C(=O)N[C@H]2CC[N@@H+](CC(N)=O)C2)C1 ZINC001015963893 656492229 /nfs/dbraw/zinc/49/22/29/656492229.db2.gz PXXMIKZLECOTBB-FZMZJTMJSA-N 1 2 296.371 -1.079 20 0 CAADLO CC[C@@H](C(N)=O)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC(=O)N1 ZINC001032316095 656493406 /nfs/dbraw/zinc/49/34/06/656493406.db2.gz HKRGTJXGYFUMEO-MMWGEVLESA-N 1 2 294.355 -1.186 20 0 CAADLO CC[C@@H](C(N)=O)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC(=O)N1 ZINC001032316095 656493413 /nfs/dbraw/zinc/49/34/13/656493413.db2.gz HKRGTJXGYFUMEO-MMWGEVLESA-N 1 2 294.355 -1.186 20 0 CAADLO NC(=O)CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC(=O)N1CCCC1 ZINC001032323447 656494547 /nfs/dbraw/zinc/49/45/47/656494547.db2.gz DEUXOYMLWRNWOY-QWRGUYRKSA-N 1 2 294.355 -1.231 20 0 CAADLO NC(=O)CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC(=O)N1CCCC1 ZINC001032323447 656494551 /nfs/dbraw/zinc/49/45/51/656494551.db2.gz DEUXOYMLWRNWOY-QWRGUYRKSA-N 1 2 294.355 -1.231 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+]1CC[C@H](NC(=O)Cc2nc[nH]n2)C1 ZINC001015967200 656494634 /nfs/dbraw/zinc/49/46/34/656494634.db2.gz AFCXCRBFKMLDHO-IUCAKERBSA-N 1 2 280.332 -1.328 20 0 CAADLO CNC(=O)[C@H](C)[N@H+]1CC[C@H](NC(=O)Cc2nc[nH]n2)C1 ZINC001015967200 656494636 /nfs/dbraw/zinc/49/46/36/656494636.db2.gz AFCXCRBFKMLDHO-IUCAKERBSA-N 1 2 280.332 -1.328 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+]1CC[C@H](NC(=O)Cc2nnc[nH]2)C1 ZINC001015967200 656494638 /nfs/dbraw/zinc/49/46/38/656494638.db2.gz AFCXCRBFKMLDHO-IUCAKERBSA-N 1 2 280.332 -1.328 20 0 CAADLO CNC(=O)[C@H](C)[N@H+]1CC[C@H](NC(=O)Cc2nnc[nH]2)C1 ZINC001015967200 656494639 /nfs/dbraw/zinc/49/46/39/656494639.db2.gz AFCXCRBFKMLDHO-IUCAKERBSA-N 1 2 280.332 -1.328 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+]1CC[C@@H](NC(=O)Cc2nc[nH]n2)C1 ZINC001015967199 656494744 /nfs/dbraw/zinc/49/47/44/656494744.db2.gz AFCXCRBFKMLDHO-DTWKUNHWSA-N 1 2 280.332 -1.328 20 0 CAADLO CNC(=O)[C@H](C)[N@H+]1CC[C@@H](NC(=O)Cc2nc[nH]n2)C1 ZINC001015967199 656494746 /nfs/dbraw/zinc/49/47/46/656494746.db2.gz AFCXCRBFKMLDHO-DTWKUNHWSA-N 1 2 280.332 -1.328 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+]1CC[C@@H](NC(=O)Cc2nnc[nH]2)C1 ZINC001015967199 656494750 /nfs/dbraw/zinc/49/47/50/656494750.db2.gz AFCXCRBFKMLDHO-DTWKUNHWSA-N 1 2 280.332 -1.328 20 0 CAADLO CNC(=O)[C@H](C)[N@H+]1CC[C@@H](NC(=O)Cc2nnc[nH]2)C1 ZINC001015967199 656494754 /nfs/dbraw/zinc/49/47/54/656494754.db2.gz AFCXCRBFKMLDHO-DTWKUNHWSA-N 1 2 280.332 -1.328 20 0 CAADLO NC(=O)CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@@H]1CCC(=O)NC1=O ZINC001032323840 656494856 /nfs/dbraw/zinc/49/48/56/656494856.db2.gz PBQODKWZTHAKAC-XHNCKOQMSA-N 1 2 294.311 -2.048 20 0 CAADLO NC(=O)CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2[C@@H]1CCC(=O)NC1=O ZINC001032323840 656494861 /nfs/dbraw/zinc/49/48/61/656494861.db2.gz PBQODKWZTHAKAC-XHNCKOQMSA-N 1 2 294.311 -2.048 20 0 CAADLO CN(C)C(=O)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC(N)=O ZINC001032324002 656494894 /nfs/dbraw/zinc/49/48/94/656494894.db2.gz USLLSNKEFJDWPI-IUCAKERBSA-N 1 2 268.317 -1.765 20 0 CAADLO CN(C)C(=O)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC(N)=O ZINC001032324002 656494896 /nfs/dbraw/zinc/49/48/96/656494896.db2.gz USLLSNKEFJDWPI-IUCAKERBSA-N 1 2 268.317 -1.765 20 0 CAADLO CNC(=O)CN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001032331441 656495608 /nfs/dbraw/zinc/49/56/08/656495608.db2.gz CYKDPZNGWLZSSC-SRVKXCTJSA-N 1 2 296.371 -1.652 20 0 CAADLO CNC(=O)CN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001032331441 656495612 /nfs/dbraw/zinc/49/56/12/656495612.db2.gz CYKDPZNGWLZSSC-SRVKXCTJSA-N 1 2 296.371 -1.652 20 0 CAADLO O=C(Cc1[nH]cc[nH+]1)N1CC(NC(=O)[C@@H]2CCC(=O)N2)C1 ZINC000997110298 656499842 /nfs/dbraw/zinc/49/98/42/656499842.db2.gz MMVHETRBHTWLAM-VIFPVBQESA-N 1 2 291.311 -1.442 20 0 CAADLO O=C(Cn1cc[nH+]c1)N1CC(NC(=O)[C@@H]2CCC(=O)N2)C1 ZINC000997119298 656501494 /nfs/dbraw/zinc/50/14/94/656501494.db2.gz MORQCONFUSIPJM-JTQLQIEISA-N 1 2 291.311 -1.511 20 0 CAADLO CC[C@@H](C(N)=O)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1ncnn1 ZINC001032406321 656501671 /nfs/dbraw/zinc/50/16/71/656501671.db2.gz MLGHHKWDFCCHTA-GUBZILKMSA-N 1 2 293.331 -1.778 20 0 CAADLO CC[C@@H](C(N)=O)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1ncnn1 ZINC001032406321 656501678 /nfs/dbraw/zinc/50/16/78/656501678.db2.gz MLGHHKWDFCCHTA-GUBZILKMSA-N 1 2 293.331 -1.778 20 0 CAADLO C[C@H]([NH2+]C1CCN(C(=O)Cc2ncn[nH]2)CC1)C(N)=O ZINC000997161036 656502923 /nfs/dbraw/zinc/50/29/23/656502923.db2.gz NLACYBBTRFNQSL-QMMMGPOBSA-N 1 2 280.332 -1.198 20 0 CAADLO Cc1[nH+]c[nH]c1CC(=O)NC1CN(C(=O)CC(N)=O)C1 ZINC000997245297 656503002 /nfs/dbraw/zinc/50/30/02/656503002.db2.gz NRHBPALOWYQIOR-UHFFFAOYSA-N 1 2 279.300 -1.537 20 0 CAADLO Cc1nn[nH]c1C(=O)NC1CN(C(=O)Cn2cc[nH+]c2)C1 ZINC000997346476 656503877 /nfs/dbraw/zinc/50/38/77/656503877.db2.gz UAYHMHQHCQNHGX-UHFFFAOYSA-N 1 2 289.299 -1.050 20 0 CAADLO O=C(Cc1[nH]cc[nH+]1)N1CC(NC(=O)[C@@H]2CCNC2=O)C1 ZINC000997430448 656511893 /nfs/dbraw/zinc/51/18/93/656511893.db2.gz TZBVMZPHMCQQBM-SECBINFHSA-N 1 2 291.311 -1.585 20 0 CAADLO C[N@@H+]1CCO[C@@H](C(=O)N2CC(NC(=O)c3nnc[nH]3)C2)C1 ZINC000997809078 656517422 /nfs/dbraw/zinc/51/74/22/656517422.db2.gz ILLMLRHTYYJJSJ-SECBINFHSA-N 1 2 294.315 -1.924 20 0 CAADLO C[N@H+]1CCO[C@@H](C(=O)N2CC(NC(=O)c3nnc[nH]3)C2)C1 ZINC000997809078 656517427 /nfs/dbraw/zinc/51/74/27/656517427.db2.gz ILLMLRHTYYJJSJ-SECBINFHSA-N 1 2 294.315 -1.924 20 0 CAADLO CC(=O)N1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001016048102 656517788 /nfs/dbraw/zinc/51/77/88/656517788.db2.gz VPHJIIJQHBXCFD-MNOVXSKESA-N 1 2 282.344 -1.327 20 0 CAADLO CC(=O)N1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001016048102 656517793 /nfs/dbraw/zinc/51/77/93/656517793.db2.gz VPHJIIJQHBXCFD-MNOVXSKESA-N 1 2 282.344 -1.327 20 0 CAADLO Cc1[nH+]ccn1CC(=O)N1CC(NC(=O)c2nnc[nH]2)C1 ZINC000997817304 656519010 /nfs/dbraw/zinc/51/90/10/656519010.db2.gz FMQVGNNUACYEBZ-UHFFFAOYSA-N 1 2 289.299 -1.050 20 0 CAADLO Cc1[nH+]ccn1CC(=O)N1CC(NC(=O)c2ncn[nH]2)C1 ZINC000997817304 656519014 /nfs/dbraw/zinc/51/90/14/656519014.db2.gz FMQVGNNUACYEBZ-UHFFFAOYSA-N 1 2 289.299 -1.050 20 0 CAADLO Cc1[nH+]ccn1CC(=O)N1CC(NC(=O)c2nc[nH]n2)C1 ZINC000997817304 656519019 /nfs/dbraw/zinc/51/90/19/656519019.db2.gz FMQVGNNUACYEBZ-UHFFFAOYSA-N 1 2 289.299 -1.050 20 0 CAADLO Cn1c[nH+]cc1CN1C[C@@H]2C[C@H]1CN2C(=O)C(N)=O ZINC001032596688 656524507 /nfs/dbraw/zinc/52/45/07/656524507.db2.gz OWZHDRGOACWXFQ-IUCAKERBSA-N 1 2 263.301 -1.310 20 0 CAADLO Cc1nc(C)n(CC[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)C(N)=O)n1 ZINC001032598221 656525068 /nfs/dbraw/zinc/52/50/68/656525068.db2.gz YDXCVZYNKUTUFC-QWRGUYRKSA-N 1 2 292.343 -1.335 20 0 CAADLO Cc1nc(C)n(CC[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)C(N)=O)n1 ZINC001032598221 656525072 /nfs/dbraw/zinc/52/50/72/656525072.db2.gz YDXCVZYNKUTUFC-QWRGUYRKSA-N 1 2 292.343 -1.335 20 0 CAADLO CC[C@@H](C(N)=O)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1(C(N)=O)CC1 ZINC001032600822 656526702 /nfs/dbraw/zinc/52/67/02/656526702.db2.gz YDXVXGDHCDSASA-GUBZILKMSA-N 1 2 294.355 -1.199 20 0 CAADLO CC[C@@H](C(N)=O)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1(C(N)=O)CC1 ZINC001032600822 656526706 /nfs/dbraw/zinc/52/67/06/656526706.db2.gz YDXVXGDHCDSASA-GUBZILKMSA-N 1 2 294.355 -1.199 20 0 CAADLO NC(=O)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCN1C(=O)CCC1=O ZINC001032599653 656526762 /nfs/dbraw/zinc/52/67/62/656526762.db2.gz HYVZUJYFDPJFAT-IUCAKERBSA-N 1 2 294.311 -2.094 20 0 CAADLO NC(=O)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCN1C(=O)CCC1=O ZINC001032599653 656526766 /nfs/dbraw/zinc/52/67/66/656526766.db2.gz HYVZUJYFDPJFAT-IUCAKERBSA-N 1 2 294.311 -2.094 20 0 CAADLO O=C(Cc1c[nH+]c[nH]1)N1CC(NC(=O)c2cnon2)C1 ZINC000998240366 656529406 /nfs/dbraw/zinc/52/94/06/656529406.db2.gz RLPDKZFGCJACTO-UHFFFAOYSA-N 1 2 276.256 -1.024 20 0 CAADLO Cn1cnc(C(=O)N2CC(NC(=O)Cc3[nH]cc[nH+]3)C2)n1 ZINC000998385728 656531275 /nfs/dbraw/zinc/53/12/75/656531275.db2.gz ZSKXZMUXNGRNGV-UHFFFAOYSA-N 1 2 289.299 -1.279 20 0 CAADLO Cn1ncc(C(=O)N2CC(NC(=O)Cc3[nH]cc[nH+]3)C2)n1 ZINC000998385477 656531436 /nfs/dbraw/zinc/53/14/36/656531436.db2.gz YDWLFYNFZQXVTE-UHFFFAOYSA-N 1 2 289.299 -1.279 20 0 CAADLO O=C(Cc1[nH]cc[nH+]1)NC1CN(C(=O)Cn2nccn2)C1 ZINC000998381966 656531803 /nfs/dbraw/zinc/53/18/03/656531803.db2.gz FLWZZAJIXNUCBM-UHFFFAOYSA-N 1 2 289.299 -1.429 20 0 CAADLO Cn1cc(C(=O)N2CC(NC(=O)Cc3[nH]cc[nH+]3)C2)nn1 ZINC000998385323 656532096 /nfs/dbraw/zinc/53/20/96/656532096.db2.gz WXZUPGRACSGGRZ-UHFFFAOYSA-N 1 2 289.299 -1.279 20 0 CAADLO Cn1nnc(C(=O)N2CC(NC(=O)Cc3[nH]cc[nH+]3)C2)n1 ZINC000998393138 656533128 /nfs/dbraw/zinc/53/31/28/656533128.db2.gz VPZCCOQEYZSBND-UHFFFAOYSA-N 1 2 290.287 -1.884 20 0 CAADLO O=C(Cc1c[nH+]c[nH]1)N1CC(NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC000998680049 656541868 /nfs/dbraw/zinc/54/18/68/656541868.db2.gz UZOLXYUCMHUYAS-VIFPVBQESA-N 1 2 292.299 -2.039 20 0 CAADLO O=C(Cn1cc[nH+]c1)N1CC(NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC000998679236 656541969 /nfs/dbraw/zinc/54/19/69/656541969.db2.gz MWMKCBQTVBTZSV-VIFPVBQESA-N 1 2 292.299 -2.109 20 0 CAADLO Cc1[nH+]c[nH]c1CC(=O)N1CC(NC(=O)C(N)=O)C1 ZINC000998703406 656543309 /nfs/dbraw/zinc/54/33/09/656543309.db2.gz FSBFGMOVMLFEIZ-UHFFFAOYSA-N 1 2 265.273 -1.927 20 0 CAADLO NC(=O)C(=O)NC1CN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000998705400 656545034 /nfs/dbraw/zinc/54/50/34/656545034.db2.gz UWVQMWORSDHTPF-UHFFFAOYSA-N 1 2 265.273 -1.845 20 0 CAADLO NC(=O)C(=O)NC1CN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC000998714193 656548471 /nfs/dbraw/zinc/54/84/71/656548471.db2.gz FXPUQJXTYNYAAR-QMMMGPOBSA-N 1 2 291.311 -1.358 20 0 CAADLO NC(=O)C(=O)NC1CN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000998714461 656548596 /nfs/dbraw/zinc/54/85/96/656548596.db2.gz IUFJKLXCNOYGGN-QMMMGPOBSA-N 1 2 291.311 -1.742 20 0 CAADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC(NC(=O)C(N)=O)C1 ZINC000998714146 656548826 /nfs/dbraw/zinc/54/88/26/656548826.db2.gz GNMFUUZOWGMARH-RKDXNWHRSA-N 1 2 291.311 -1.664 20 0 CAADLO C[C@@H](CC(=O)N1CC(NC(=O)C(N)=O)C1)n1cc[nH+]c1 ZINC000998714675 656549476 /nfs/dbraw/zinc/54/94/76/656549476.db2.gz LDHIYYJSFFGJNR-QMMMGPOBSA-N 1 2 279.300 -1.354 20 0 CAADLO C[C@H](CC(=O)N1CC(NC(=O)C(N)=O)C1)n1cc[nH+]c1 ZINC000998714671 656550019 /nfs/dbraw/zinc/55/00/19/656550019.db2.gz LDHIYYJSFFGJNR-MRVPVSSYSA-N 1 2 279.300 -1.354 20 0 CAADLO NC(=O)C(=O)NC1CN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000998714773 656550480 /nfs/dbraw/zinc/55/04/80/656550480.db2.gz MLXYDFYTHWPEHR-UHFFFAOYSA-N 1 2 251.246 -2.236 20 0 CAADLO NC(=O)C(=O)NC1CN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000998711377 656553914 /nfs/dbraw/zinc/55/39/14/656553914.db2.gz KRFSRXMAVCWUJQ-UHFFFAOYSA-N 1 2 251.246 -2.236 20 0 CAADLO Cn1c[nH+]cc1CCC(=O)N1CC(NC(=O)C(N)=O)C1 ZINC000998710484 656554217 /nfs/dbraw/zinc/55/42/17/656554217.db2.gz DMDXLHMOKMGBTQ-UHFFFAOYSA-N 1 2 279.300 -1.835 20 0 CAADLO NC(=O)C(=O)NC1CN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC000998721416 656555109 /nfs/dbraw/zinc/55/51/09/656555109.db2.gz BJYZAKHGNZLIKM-UHFFFAOYSA-N 1 2 287.279 -1.240 20 0 CAADLO NC(=O)C(=O)NC1CN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC000998724137 656557540 /nfs/dbraw/zinc/55/75/40/656557540.db2.gz CXCZBEUBEBDBDI-UHFFFAOYSA-N 1 2 265.273 -1.845 20 0 CAADLO NC(=O)C(=O)NC1CN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC000998724137 656557545 /nfs/dbraw/zinc/55/75/45/656557545.db2.gz CXCZBEUBEBDBDI-UHFFFAOYSA-N 1 2 265.273 -1.845 20 0 CAADLO O=C(c1nc[nH]n1)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@@H]1CCNC1=O ZINC001032690375 656571633 /nfs/dbraw/zinc/57/16/33/656571633.db2.gz FGJMBPXFWIBJNG-XHNCKOQMSA-N 1 2 276.300 -1.408 20 0 CAADLO O=C(c1nc[nH]n1)N1C[C@@H]2C[C@H]1C[N@H+]2[C@@H]1CCNC1=O ZINC001032690375 656571638 /nfs/dbraw/zinc/57/16/38/656571638.db2.gz FGJMBPXFWIBJNG-XHNCKOQMSA-N 1 2 276.300 -1.408 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCC(=O)N2C)C1 ZINC001016138162 656571669 /nfs/dbraw/zinc/57/16/69/656571669.db2.gz QEVOSAGMANZOEY-WDEREUQCSA-N 1 2 296.371 -1.066 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCCC(=O)N2C)C1 ZINC001016138162 656571679 /nfs/dbraw/zinc/57/16/79/656571679.db2.gz QEVOSAGMANZOEY-WDEREUQCSA-N 1 2 296.371 -1.066 20 0 CAADLO CN(C(=O)Cc1ncn[nH]1)C1CC([NH2+][C@@H]2CCNC2=O)C1 ZINC000999661727 656579868 /nfs/dbraw/zinc/57/98/68/656579868.db2.gz VZJNKDIQEKHARG-UDNWOFFPSA-N 1 2 292.343 -1.185 20 0 CAADLO CN(C(=O)c1nc[nH]n1)C1CC([NH2+]Cc2nnn(C)n2)C1 ZINC000999573298 656580153 /nfs/dbraw/zinc/58/01/53/656580153.db2.gz MAUOBFVVGVVDJK-UHFFFAOYSA-N 1 2 291.319 -1.279 20 0 CAADLO C[C@H]([NH2+]C1CC(N(C)C(=O)Cc2ncn[nH]2)C1)C(N)=O ZINC000999661033 656580579 /nfs/dbraw/zinc/58/05/79/656580579.db2.gz RHIUMNQDUGFXGP-UEJVZZJDSA-N 1 2 280.332 -1.200 20 0 CAADLO NC(=O)[C@@H]1C[C@@H]1C(=O)NC1CN(C(=O)Cn2cc[nH+]c2)C1 ZINC000999919598 656587569 /nfs/dbraw/zinc/58/75/69/656587569.db2.gz KTSXUPMMVYBOJD-ZJUUUORDSA-N 1 2 291.311 -1.669 20 0 CAADLO NC(=O)C(=O)N1CCC[C@H]([NH2+]Cc2cnon2)C1 ZINC001000053305 656591330 /nfs/dbraw/zinc/59/13/30/656591330.db2.gz RMSUKYZGVZNPTO-ZETCQYMHSA-N 1 2 253.262 -1.365 20 0 CAADLO COCc1noc(C[NH2+][C@@H]2CCCN(C(=O)C(N)=O)C2)n1 ZINC001000059373 656593694 /nfs/dbraw/zinc/59/36/94/656593694.db2.gz VUYWOKPRKWTZST-MRVPVSSYSA-N 1 2 297.315 -1.218 20 0 CAADLO CN(C)c1noc(C[NH2+][C@H]2CCCN(C(=O)C(N)=O)C2)n1 ZINC001000059252 656594050 /nfs/dbraw/zinc/59/40/50/656594050.db2.gz ULJJQAUCYSBEOG-QMMMGPOBSA-N 1 2 296.331 -1.299 20 0 CAADLO Cc1nnc(C[NH2+][C@H]2CCCN(C(=O)C(N)=O)C2)o1 ZINC001000059299 656594653 /nfs/dbraw/zinc/59/46/53/656594653.db2.gz VERLGEDZKVRRRY-QMMMGPOBSA-N 1 2 267.289 -1.056 20 0 CAADLO COCc1noc(C[NH2+][C@H]2CCCN(C(=O)C(N)=O)C2)n1 ZINC001000059376 656596061 /nfs/dbraw/zinc/59/60/61/656596061.db2.gz VUYWOKPRKWTZST-QMMMGPOBSA-N 1 2 297.315 -1.218 20 0 CAADLO CCCn1nnnc1C[NH2+][C@@H]1CCCN(C(=O)C(N)=O)C1 ZINC001000061756 656597425 /nfs/dbraw/zinc/59/74/25/656597425.db2.gz JVQDYQKTEKXVFD-SECBINFHSA-N 1 2 295.347 -1.351 20 0 CAADLO O=C(Cn1cncn1)NC1CN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001000114975 656597500 /nfs/dbraw/zinc/59/75/00/656597500.db2.gz HMOZUGBMZZLZIS-UHFFFAOYSA-N 1 2 289.299 -1.429 20 0 CAADLO Cn1c[nH+]cc1CC(=O)N1C[C@@H]2C[C@H]1CN2CC(N)=O ZINC001032733379 656600688 /nfs/dbraw/zinc/60/06/88/656600688.db2.gz SODIKJMMWVAFSX-QWRGUYRKSA-N 1 2 277.328 -1.267 20 0 CAADLO O=C(Cc1nc[nH]n1)NC1CN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001000200722 656602474 /nfs/dbraw/zinc/60/24/74/656602474.db2.gz MODPSRFSEGQKJH-UHFFFAOYSA-N 1 2 289.299 -1.360 20 0 CAADLO CC[C@H](C(N)=O)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1cncn1 ZINC001032769362 656603379 /nfs/dbraw/zinc/60/33/79/656603379.db2.gz GOKHYFGPHXBNQJ-GARJFASQSA-N 1 2 292.343 -1.173 20 0 CAADLO CC[C@H](C(N)=O)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1cncn1 ZINC001032769362 656603384 /nfs/dbraw/zinc/60/33/84/656603384.db2.gz GOKHYFGPHXBNQJ-GARJFASQSA-N 1 2 292.343 -1.173 20 0 CAADLO O=C([C@H]1CCCO1)N1CC[NH+](C[C@@H](O)CO)CC1 ZINC000929238867 656603743 /nfs/dbraw/zinc/60/37/43/656603743.db2.gz STTWYSJZUSYNSJ-GHMZBOCLSA-N 1 2 258.318 -1.337 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)Cn2cncn2)C1 ZINC001016184121 656605515 /nfs/dbraw/zinc/60/55/15/656605515.db2.gz ILDRXQCWTRSIFO-VIFPVBQESA-N 1 2 266.305 -1.785 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)Cn2cncn2)C1 ZINC001016184121 656605521 /nfs/dbraw/zinc/60/55/21/656605521.db2.gz ILDRXQCWTRSIFO-VIFPVBQESA-N 1 2 266.305 -1.785 20 0 CAADLO CC(=O)NCC1=CC[N@H+](CC(=O)N2CCNC(=O)C2)CC1 ZINC001000349520 656605908 /nfs/dbraw/zinc/60/59/08/656605908.db2.gz TZBIRUDSSPFWGY-UHFFFAOYSA-N 1 2 294.355 -1.287 20 0 CAADLO CC(=O)NCC1=CC[N@@H+](CC(=O)N2CCNC(=O)C2)CC1 ZINC001000349520 656605913 /nfs/dbraw/zinc/60/59/13/656605913.db2.gz TZBIRUDSSPFWGY-UHFFFAOYSA-N 1 2 294.355 -1.287 20 0 CAADLO O=C(Cc1c[nH]c[nH+]1)NC1CN(C(=O)c2nc[nH]n2)C1 ZINC001000564682 656608590 /nfs/dbraw/zinc/60/85/90/656608590.db2.gz PRCYXEXHLUVUOX-UHFFFAOYSA-N 1 2 275.272 -1.289 20 0 CAADLO O=C(Cc1c[nH]c[nH+]1)NC1CN(C(=O)[C@@H]2COC(=O)N2)C1 ZINC001000561310 656608709 /nfs/dbraw/zinc/60/87/09/656608709.db2.gz FMOGVLUETPGRJL-VIFPVBQESA-N 1 2 293.283 -1.612 20 0 CAADLO O=C(Cc1c[nH]c[nH+]1)NC1CN(C(=O)c2cn[nH]n2)C1 ZINC001000562661 656608883 /nfs/dbraw/zinc/60/88/83/656608883.db2.gz FAAZOJCWPLWQNP-UHFFFAOYSA-N 1 2 275.272 -1.289 20 0 CAADLO Cn1nnc(C(=O)N2CC(NC(=O)Cc3c[nH]c[nH+]3)C2)n1 ZINC001000561977 656609060 /nfs/dbraw/zinc/60/90/60/656609060.db2.gz BZQBYLLDLAIGJH-UHFFFAOYSA-N 1 2 290.287 -1.884 20 0 CAADLO COCC(=O)N1CC(NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001000557032 656609166 /nfs/dbraw/zinc/60/91/66/656609166.db2.gz CRNFDXQVNDHMAG-UHFFFAOYSA-N 1 2 252.274 -1.074 20 0 CAADLO Cn1nncc1C(=O)N1CC(NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001000564129 656609379 /nfs/dbraw/zinc/60/93/79/656609379.db2.gz XIOJGGHWDYSNSH-UHFFFAOYSA-N 1 2 289.299 -1.279 20 0 CAADLO O=C(Cc1c[nH]c[nH+]1)NC1CN(C(=O)[C@H]2CCNC2=O)C1 ZINC001000566029 656609439 /nfs/dbraw/zinc/60/94/39/656609439.db2.gz ZKKKGRURSFXNOA-JTQLQIEISA-N 1 2 291.311 -1.585 20 0 CAADLO O=C(Cc1c[nH]c[nH+]1)NC1CN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC001000568561 656609643 /nfs/dbraw/zinc/60/96/43/656609643.db2.gz JORHUEOKKURNIT-SECBINFHSA-N 1 2 292.299 -2.039 20 0 CAADLO O=C(Cc1c[nH]c[nH+]1)NC1CN(C(=O)Cn2nccn2)C1 ZINC001000569910 656609677 /nfs/dbraw/zinc/60/96/77/656609677.db2.gz UAKCZJMNNVAXBG-UHFFFAOYSA-N 1 2 289.299 -1.429 20 0 CAADLO NC(=O)C(=O)N1CC(NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001000569846 656609814 /nfs/dbraw/zinc/60/98/14/656609814.db2.gz RYEKCCLWTDQZRX-UHFFFAOYSA-N 1 2 251.246 -2.236 20 0 CAADLO C[C@H]([NH2+][C@H]1CCCN(C(=O)Cc2ncn[nH]2)C1)C(N)=O ZINC001000644029 656610730 /nfs/dbraw/zinc/61/07/30/656610730.db2.gz LPBFZBKRYHFPOL-IUCAKERBSA-N 1 2 280.332 -1.198 20 0 CAADLO NC(=O)C[NH2+][C@@H]1CCCN(C(=O)Cc2ncn[nH]2)C1 ZINC001000645156 656611327 /nfs/dbraw/zinc/61/13/27/656611327.db2.gz PLXABHDDCXLBFZ-MRVPVSSYSA-N 1 2 266.305 -1.587 20 0 CAADLO C[N@@H+]1CCO[C@H](C(=O)N2CCC(=O)NCC23COC3)C1 ZINC000921802060 656612597 /nfs/dbraw/zinc/61/25/97/656612597.db2.gz REBYKNHYUXBYHZ-JTQLQIEISA-N 1 2 283.328 -1.566 20 0 CAADLO C[N@H+]1CCO[C@H](C(=O)N2CCC(=O)NCC23COC3)C1 ZINC000921802060 656612600 /nfs/dbraw/zinc/61/26/00/656612600.db2.gz REBYKNHYUXBYHZ-JTQLQIEISA-N 1 2 283.328 -1.566 20 0 CAADLO CNC(=O)CN1C[C@@H]2C[C@H]1CN2C(=O)Cn1cc[nH+]c1 ZINC001032815033 656622345 /nfs/dbraw/zinc/62/23/45/656622345.db2.gz WDINYTMQRLUUGP-QWRGUYRKSA-N 1 2 277.328 -1.086 20 0 CAADLO NC(=O)C[NH+]1CCC(CNC(=O)c2cnn[nH]2)CC1 ZINC001001575885 656623716 /nfs/dbraw/zinc/62/37/16/656623716.db2.gz CMGZCLIUOSPIGB-UHFFFAOYSA-N 1 2 266.305 -1.268 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC(=O)N2)C1 ZINC001032824710 656628210 /nfs/dbraw/zinc/62/82/10/656628210.db2.gz ZVNPZRZDTPGASG-XHNCKOQMSA-N 1 2 268.317 -1.671 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)[C@H]2CCC(=O)N2)C1 ZINC001032824710 656628213 /nfs/dbraw/zinc/62/82/13/656628213.db2.gz ZVNPZRZDTPGASG-XHNCKOQMSA-N 1 2 268.317 -1.671 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC(=O)N2)C1 ZINC001032824709 656628291 /nfs/dbraw/zinc/62/82/91/656628291.db2.gz ZVNPZRZDTPGASG-HRDYMLBCSA-N 1 2 268.317 -1.671 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)[C@H]2CCC(=O)N2)C1 ZINC001032824709 656628296 /nfs/dbraw/zinc/62/82/96/656628296.db2.gz ZVNPZRZDTPGASG-HRDYMLBCSA-N 1 2 268.317 -1.671 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)[C@]2(C)CCC(=O)N2)C1 ZINC001032830754 656633961 /nfs/dbraw/zinc/63/39/61/656633961.db2.gz UYESRGBWVVLVMM-ZDMBXUJBSA-N 1 2 282.344 -1.281 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)[C@]2(C)CCC(=O)N2)C1 ZINC001032830754 656633972 /nfs/dbraw/zinc/63/39/72/656633972.db2.gz UYESRGBWVVLVMM-ZDMBXUJBSA-N 1 2 282.344 -1.281 20 0 CAADLO C[N@H+](CCNC(=O)C1CS(=O)(=O)C1)CCOCCO ZINC000922116102 656640096 /nfs/dbraw/zinc/64/00/96/656640096.db2.gz YATWZMIRHTVJLL-UHFFFAOYSA-N 1 2 294.373 -1.912 20 0 CAADLO C[N@@H+](CCNC(=O)C1CS(=O)(=O)C1)CCOCCO ZINC000922116102 656640097 /nfs/dbraw/zinc/64/00/97/656640097.db2.gz YATWZMIRHTVJLL-UHFFFAOYSA-N 1 2 294.373 -1.912 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cn(C)c(=O)n2C)C1 ZINC001016352996 656640903 /nfs/dbraw/zinc/64/09/03/656640903.db2.gz FDECLMVWXSRDRI-VIFPVBQESA-N 1 2 295.343 -1.726 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cn(C)c(=O)n2C)C1 ZINC001016352996 656640912 /nfs/dbraw/zinc/64/09/12/656640912.db2.gz FDECLMVWXSRDRI-VIFPVBQESA-N 1 2 295.343 -1.726 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)[C@H](C)N2CCOCC2)C1 ZINC001032834024 656643765 /nfs/dbraw/zinc/64/37/65/656643765.db2.gz KYSGFYJLYOTHPN-WOPDTQHZSA-N 1 2 298.387 -1.229 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)[C@H](C)N2CCOCC2)C1 ZINC001032834024 656643778 /nfs/dbraw/zinc/64/37/78/656643778.db2.gz KYSGFYJLYOTHPN-WOPDTQHZSA-N 1 2 298.387 -1.229 20 0 CAADLO O=C(NC1CC[NH+]([C@@H]2CCNC2=O)CC1)c1cn[nH]n1 ZINC001003231453 656645782 /nfs/dbraw/zinc/64/57/82/656645782.db2.gz OFAGHGUQPGSPJW-SNVBAGLBSA-N 1 2 278.316 -1.113 20 0 CAADLO O=C(NC1CC[NH+]([C@@H]2CCNC2=O)CC1)c1cnn[nH]1 ZINC001003231453 656645792 /nfs/dbraw/zinc/64/57/92/656645792.db2.gz OFAGHGUQPGSPJW-SNVBAGLBSA-N 1 2 278.316 -1.113 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCC(=O)N2)C1 ZINC001032834361 656648098 /nfs/dbraw/zinc/64/80/98/656648098.db2.gz ZVNPZRZDTPGASG-IWSPIJDZSA-N 1 2 268.317 -1.671 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)[C@H]2CCC(=O)N2)C1 ZINC001032834361 656648103 /nfs/dbraw/zinc/64/81/03/656648103.db2.gz ZVNPZRZDTPGASG-IWSPIJDZSA-N 1 2 268.317 -1.671 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)[C@]2(C)CCC(=O)N2)C1 ZINC001032840453 656650011 /nfs/dbraw/zinc/65/00/11/656650011.db2.gz UYESRGBWVVLVMM-KKFJDGPESA-N 1 2 282.344 -1.281 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)[C@]2(C)CCC(=O)N2)C1 ZINC001032840453 656650014 /nfs/dbraw/zinc/65/00/14/656650014.db2.gz UYESRGBWVVLVMM-KKFJDGPESA-N 1 2 282.344 -1.281 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001032841893 656650934 /nfs/dbraw/zinc/65/09/34/656650934.db2.gz SSKPMPCAUGCZOG-PRJMDXOYSA-N 1 2 297.315 -2.351 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001032841893 656650948 /nfs/dbraw/zinc/65/09/48/656650948.db2.gz SSKPMPCAUGCZOG-PRJMDXOYSA-N 1 2 297.315 -2.351 20 0 CAADLO Cn1ccc(C[NH+]2CCC(NC(=O)C(N)=O)CC2)n1 ZINC001003534458 656653077 /nfs/dbraw/zinc/65/30/77/656653077.db2.gz HPWIEJYVXZEVQW-UHFFFAOYSA-N 1 2 265.317 -1.014 20 0 CAADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)C(N)=O)CC1 ZINC001003534539 656654666 /nfs/dbraw/zinc/65/46/66/656654666.db2.gz JQYCWODRJXCRBZ-UHFFFAOYSA-N 1 2 277.346 -1.903 20 0 CAADLO C[C@@H](C(N)=O)[NH+]1CCC(NC(=O)c2nnc[nH]2)CC1 ZINC001003813763 656664125 /nfs/dbraw/zinc/66/41/25/656664125.db2.gz KTZJTAAUHOQVFP-ZETCQYMHSA-N 1 2 266.305 -1.127 20 0 CAADLO C[C@@H](C(N)=O)[NH+]1CCC(NC(=O)c2ncn[nH]2)CC1 ZINC001003813763 656664128 /nfs/dbraw/zinc/66/41/28/656664128.db2.gz KTZJTAAUHOQVFP-ZETCQYMHSA-N 1 2 266.305 -1.127 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCN2C(N)=O)C1 ZINC001032844285 656664174 /nfs/dbraw/zinc/66/41/74/656664174.db2.gz BSNWMNKXCRZMFB-AEJSXWLSSA-N 1 2 297.359 -1.406 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCN2C(N)=O)C1 ZINC001032844285 656664182 /nfs/dbraw/zinc/66/41/82/656664182.db2.gz BSNWMNKXCRZMFB-AEJSXWLSSA-N 1 2 297.359 -1.406 20 0 CAADLO O=C(NC1CC[NH+]([C@@H]2CCNC2=O)CC1)c1nnc[nH]1 ZINC001003813583 656664246 /nfs/dbraw/zinc/66/42/46/656664246.db2.gz JDBXNZITMGUNSM-SECBINFHSA-N 1 2 278.316 -1.113 20 0 CAADLO O=C(NC1CC[NH+]([C@@H]2CCNC2=O)CC1)c1ncn[nH]1 ZINC001003813583 656664258 /nfs/dbraw/zinc/66/42/58/656664258.db2.gz JDBXNZITMGUNSM-SECBINFHSA-N 1 2 278.316 -1.113 20 0 CAADLO CC(=O)N(C)[C@@H]1CC[N@H+](CC(=O)N2CCNC(=O)C2)C1 ZINC001032853745 656664328 /nfs/dbraw/zinc/66/43/28/656664328.db2.gz VCNZMQRMQWHEOB-LLVKDONJSA-N 1 2 282.344 -1.503 20 0 CAADLO CC(=O)N(C)[C@@H]1CC[N@@H+](CC(=O)N2CCNC(=O)C2)C1 ZINC001032853745 656664338 /nfs/dbraw/zinc/66/43/38/656664338.db2.gz VCNZMQRMQWHEOB-LLVKDONJSA-N 1 2 282.344 -1.503 20 0 CAADLO CN(C(=O)c1cc[n+]([O-])cc1)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001032892434 656665502 /nfs/dbraw/zinc/66/55/02/656665502.db2.gz VYEKKEQXAQFENR-LLVKDONJSA-N 1 2 278.312 -1.048 20 0 CAADLO CN(C(=O)c1cc[n+]([O-])cc1)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001032892434 656665509 /nfs/dbraw/zinc/66/55/09/656665509.db2.gz VYEKKEQXAQFENR-LLVKDONJSA-N 1 2 278.312 -1.048 20 0 CAADLO CN(C(=O)c1ccc(=O)[nH]n1)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001032892832 656665573 /nfs/dbraw/zinc/66/55/73/656665573.db2.gz WMKRKMKBHHGSBR-MRVPVSSYSA-N 1 2 279.300 -1.186 20 0 CAADLO CN(C(=O)c1ccc(=O)[nH]n1)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001032892832 656665582 /nfs/dbraw/zinc/66/55/82/656665582.db2.gz WMKRKMKBHHGSBR-MRVPVSSYSA-N 1 2 279.300 -1.186 20 0 CAADLO CN(C(=O)Cn1cccn1)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001032905737 656665776 /nfs/dbraw/zinc/66/57/76/656665776.db2.gz OBZSYGHSUDYICQ-JTQLQIEISA-N 1 2 265.317 -1.099 20 0 CAADLO CN(C(=O)Cn1cccn1)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001032905737 656665786 /nfs/dbraw/zinc/66/57/86/656665786.db2.gz OBZSYGHSUDYICQ-JTQLQIEISA-N 1 2 265.317 -1.099 20 0 CAADLO CNC(=O)C[NH+]1CCC(NC(=O)Cc2nnc[nH]2)CC1 ZINC001003932678 656667825 /nfs/dbraw/zinc/66/78/25/656667825.db2.gz LSOUZSPIKNQOHO-UHFFFAOYSA-N 1 2 280.332 -1.326 20 0 CAADLO C[C@H](C(N)=O)[NH+]1CCC(NC(=O)Cc2nnc[nH]2)CC1 ZINC001003930761 656667977 /nfs/dbraw/zinc/66/79/77/656667977.db2.gz RVSDGCQGEQNKNC-MRVPVSSYSA-N 1 2 280.332 -1.198 20 0 CAADLO CN(C(=O)c1nccnc1N)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001032966104 656668095 /nfs/dbraw/zinc/66/80/95/656668095.db2.gz QFZDTUZCRWEWKT-MRVPVSSYSA-N 1 2 278.316 -1.310 20 0 CAADLO CN(C(=O)c1nccnc1N)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001032966104 656668102 /nfs/dbraw/zinc/66/81/02/656668102.db2.gz QFZDTUZCRWEWKT-MRVPVSSYSA-N 1 2 278.316 -1.310 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2COCCO2)C1 ZINC001032925650 656668914 /nfs/dbraw/zinc/66/89/14/656668914.db2.gz OROJYLCDMNIOPY-GHMZBOCLSA-N 1 2 285.344 -1.320 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2COCCO2)C1 ZINC001032925650 656668920 /nfs/dbraw/zinc/66/89/20/656668920.db2.gz OROJYLCDMNIOPY-GHMZBOCLSA-N 1 2 285.344 -1.320 20 0 CAADLO CN(C(=O)c1nccnc1N)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001032966191 656669033 /nfs/dbraw/zinc/66/90/33/656669033.db2.gz QFZDTUZCRWEWKT-QMMMGPOBSA-N 1 2 278.316 -1.310 20 0 CAADLO CN(C(=O)c1nccnc1N)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001032966191 656669041 /nfs/dbraw/zinc/66/90/41/656669041.db2.gz QFZDTUZCRWEWKT-QMMMGPOBSA-N 1 2 278.316 -1.310 20 0 CAADLO CN(C(=O)[C@H]1C[N@H+](C)CCO1)[C@@H]1CCN(CC(N)=O)C1 ZINC001032978019 656670458 /nfs/dbraw/zinc/67/04/58/656670458.db2.gz XBXFXSPGHYKPGI-GHMZBOCLSA-N 1 2 284.360 -1.665 20 0 CAADLO CN(C(=O)[C@H]1C[N@@H+](C)CCO1)[C@@H]1CCN(CC(N)=O)C1 ZINC001032978019 656670474 /nfs/dbraw/zinc/67/04/74/656670474.db2.gz XBXFXSPGHYKPGI-GHMZBOCLSA-N 1 2 284.360 -1.665 20 0 CAADLO CN(C(=O)[C@@H]1CCNC(=O)C1)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001032994894 656670658 /nfs/dbraw/zinc/67/06/58/656670658.db2.gz XFECBHMSAKDTDO-ZJUUUORDSA-N 1 2 282.344 -1.469 20 0 CAADLO CN(C(=O)[C@@H]1CCNC(=O)C1)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001032994894 656670662 /nfs/dbraw/zinc/67/06/62/656670662.db2.gz XFECBHMSAKDTDO-ZJUUUORDSA-N 1 2 282.344 -1.469 20 0 CAADLO CN(C(=O)CN1CCOCC1)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001033014751 656672411 /nfs/dbraw/zinc/67/24/11/656672411.db2.gz CBKGADXAKPVZAP-NSHDSACASA-N 1 2 284.360 -1.663 20 0 CAADLO CN(C(=O)CN1CCOCC1)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033014751 656672421 /nfs/dbraw/zinc/67/24/21/656672421.db2.gz CBKGADXAKPVZAP-NSHDSACASA-N 1 2 284.360 -1.663 20 0 CAADLO CN(C(=O)CN1CN=NC1=O)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001033024572 656672665 /nfs/dbraw/zinc/67/26/65/656672665.db2.gz YYXHXNWJXLBCJT-QMMMGPOBSA-N 1 2 282.304 -1.998 20 0 CAADLO CN(C(=O)CN1CN=NC1=O)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033024572 656672669 /nfs/dbraw/zinc/67/26/69/656672669.db2.gz YYXHXNWJXLBCJT-QMMMGPOBSA-N 1 2 282.304 -1.998 20 0 CAADLO C[C@H](C(=O)N(C)[C@@H]1CC[N@H+](CC(N)=O)C1)n1cncn1 ZINC001033021869 656673019 /nfs/dbraw/zinc/67/30/19/656673019.db2.gz QLYYNEOHVSAKEV-NXEZZACHSA-N 1 2 280.332 -1.143 20 0 CAADLO C[C@H](C(=O)N(C)[C@@H]1CC[N@@H+](CC(N)=O)C1)n1cncn1 ZINC001033021869 656673034 /nfs/dbraw/zinc/67/30/34/656673034.db2.gz QLYYNEOHVSAKEV-NXEZZACHSA-N 1 2 280.332 -1.143 20 0 CAADLO CN(C(=O)[C@@H]1COCCN1C)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001033020954 656673465 /nfs/dbraw/zinc/67/34/65/656673465.db2.gz NBPIENSJESKZCF-QWRGUYRKSA-N 1 2 284.360 -1.665 20 0 CAADLO CN(C(=O)[C@@H]1COCCN1C)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033020954 656673478 /nfs/dbraw/zinc/67/34/78/656673478.db2.gz NBPIENSJESKZCF-QWRGUYRKSA-N 1 2 284.360 -1.665 20 0 CAADLO CC(=O)N1CC(C(=O)N(C)[C@H]2CC[N@H+](CC(N)=O)C2)C1 ZINC001033036837 656675537 /nfs/dbraw/zinc/67/55/37/656675537.db2.gz APSLVDKOAZAQPE-NSHDSACASA-N 1 2 282.344 -1.517 20 0 CAADLO CC(=O)N1CC(C(=O)N(C)[C@H]2CC[N@@H+](CC(N)=O)C2)C1 ZINC001033036837 656675546 /nfs/dbraw/zinc/67/55/46/656675546.db2.gz APSLVDKOAZAQPE-NSHDSACASA-N 1 2 282.344 -1.517 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CC[C@@H](N(C)C(=O)c2cnnn2C)C1 ZINC001033048915 656676120 /nfs/dbraw/zinc/67/61/20/656676120.db2.gz VLWCTYUTYNSVAL-DTWKUNHWSA-N 1 2 280.332 -1.165 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CC[C@@H](N(C)C(=O)c2cnnn2C)C1 ZINC001033048915 656676129 /nfs/dbraw/zinc/67/61/29/656676129.db2.gz VLWCTYUTYNSVAL-DTWKUNHWSA-N 1 2 280.332 -1.165 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CC[C@H](N(C)C(=O)c2cnnn2C)C1 ZINC001033048916 656676787 /nfs/dbraw/zinc/67/67/87/656676787.db2.gz VLWCTYUTYNSVAL-IUCAKERBSA-N 1 2 280.332 -1.165 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CC[C@H](N(C)C(=O)c2cnnn2C)C1 ZINC001033048916 656676797 /nfs/dbraw/zinc/67/67/97/656676797.db2.gz VLWCTYUTYNSVAL-IUCAKERBSA-N 1 2 280.332 -1.165 20 0 CAADLO CN(C(=O)[C@H]1COC(=O)N1)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001033047989 656677310 /nfs/dbraw/zinc/67/73/10/656677310.db2.gz RZJPFKYJWLCODI-HTQZYQBOSA-N 1 2 270.289 -1.887 20 0 CAADLO CN(C(=O)[C@H]1COC(=O)N1)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033047989 656677317 /nfs/dbraw/zinc/67/73/17/656677317.db2.gz RZJPFKYJWLCODI-HTQZYQBOSA-N 1 2 270.289 -1.887 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CC[C@H](N(C)C(=O)c2cn(C)nn2)C1 ZINC001033055291 656677845 /nfs/dbraw/zinc/67/78/45/656677845.db2.gz UPNXGVJJHXHESB-IUCAKERBSA-N 1 2 280.332 -1.165 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CC[C@H](N(C)C(=O)c2cn(C)nn2)C1 ZINC001033055291 656677855 /nfs/dbraw/zinc/67/78/55/656677855.db2.gz UPNXGVJJHXHESB-IUCAKERBSA-N 1 2 280.332 -1.165 20 0 CAADLO CN(C(=O)c1cn(C)nn1)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001033053901 656678459 /nfs/dbraw/zinc/67/84/59/656678459.db2.gz DLRHLVBDQHCIQR-MRVPVSSYSA-N 1 2 266.305 -1.553 20 0 CAADLO CN(C(=O)c1cn(C)nn1)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033053901 656678470 /nfs/dbraw/zinc/67/84/70/656678470.db2.gz DLRHLVBDQHCIQR-MRVPVSSYSA-N 1 2 266.305 -1.553 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)c2cnnn2C)C1 ZINC001033058313 656678571 /nfs/dbraw/zinc/67/85/71/656678571.db2.gz PJWDHZPMWVBJJB-VIFPVBQESA-N 1 2 280.332 -1.293 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](N(C)C(=O)c2cnnn2C)C1 ZINC001033058313 656678579 /nfs/dbraw/zinc/67/85/79/656678579.db2.gz PJWDHZPMWVBJJB-VIFPVBQESA-N 1 2 280.332 -1.293 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)c2cn(C)nn2)C1 ZINC001033054998 656678813 /nfs/dbraw/zinc/67/88/13/656678813.db2.gz SUTMBVFRJJHUPA-SECBINFHSA-N 1 2 280.332 -1.293 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)c2cn(C)nn2)C1 ZINC001033054998 656678816 /nfs/dbraw/zinc/67/88/16/656678816.db2.gz SUTMBVFRJJHUPA-SECBINFHSA-N 1 2 280.332 -1.293 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CC[C@@H](N(C)C(=O)c2ncn(C)n2)C1 ZINC001033063226 656679057 /nfs/dbraw/zinc/67/90/57/656679057.db2.gz VWSODUVOJOENKS-RKDXNWHRSA-N 1 2 280.332 -1.165 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CC[C@@H](N(C)C(=O)c2ncn(C)n2)C1 ZINC001033063226 656679063 /nfs/dbraw/zinc/67/90/63/656679063.db2.gz VWSODUVOJOENKS-RKDXNWHRSA-N 1 2 280.332 -1.165 20 0 CAADLO Cc1nnc(CC(=O)N(C)[C@H]2CC[N@H+](CC(N)=O)C2)o1 ZINC001033059230 656679476 /nfs/dbraw/zinc/67/94/76/656679476.db2.gz UYVHEUKNBYFKCL-VIFPVBQESA-N 1 2 281.316 -1.061 20 0 CAADLO Cc1nnc(CC(=O)N(C)[C@H]2CC[N@@H+](CC(N)=O)C2)o1 ZINC001033059230 656679481 /nfs/dbraw/zinc/67/94/81/656679481.db2.gz UYVHEUKNBYFKCL-VIFPVBQESA-N 1 2 281.316 -1.061 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CC[C@H](N(C)C(=O)c2ncn(C)n2)C1 ZINC001033063223 656679557 /nfs/dbraw/zinc/67/95/57/656679557.db2.gz VWSODUVOJOENKS-BDAKNGLRSA-N 1 2 280.332 -1.165 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CC[C@H](N(C)C(=O)c2ncn(C)n2)C1 ZINC001033063223 656679565 /nfs/dbraw/zinc/67/95/65/656679565.db2.gz VWSODUVOJOENKS-BDAKNGLRSA-N 1 2 280.332 -1.165 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)c2cnnn2C)C1 ZINC001033058311 656679847 /nfs/dbraw/zinc/67/98/47/656679847.db2.gz PJWDHZPMWVBJJB-SECBINFHSA-N 1 2 280.332 -1.293 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)c2cnnn2C)C1 ZINC001033058311 656679863 /nfs/dbraw/zinc/67/98/63/656679863.db2.gz PJWDHZPMWVBJJB-SECBINFHSA-N 1 2 280.332 -1.293 20 0 CAADLO CN(C(=O)c1ncn(C)n1)[C@H]1CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001033061350 656680258 /nfs/dbraw/zinc/68/02/58/656680258.db2.gz KKWRSXVSFVHFGV-UWVGGRQHSA-N 1 2 292.343 -1.150 20 0 CAADLO CN(C(=O)c1ncn(C)n1)[C@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001033061350 656680263 /nfs/dbraw/zinc/68/02/63/656680263.db2.gz KKWRSXVSFVHFGV-UWVGGRQHSA-N 1 2 292.343 -1.150 20 0 CAADLO Cc1nnc(CC(=O)N(C)[C@@H]2CC[N@H+](CC(N)=O)C2)o1 ZINC001033059227 656680414 /nfs/dbraw/zinc/68/04/14/656680414.db2.gz UYVHEUKNBYFKCL-SECBINFHSA-N 1 2 281.316 -1.061 20 0 CAADLO Cc1nnc(CC(=O)N(C)[C@@H]2CC[N@@H+](CC(N)=O)C2)o1 ZINC001033059227 656680424 /nfs/dbraw/zinc/68/04/24/656680424.db2.gz UYVHEUKNBYFKCL-SECBINFHSA-N 1 2 281.316 -1.061 20 0 CAADLO Cn1c[nH+]cc1CNC(=O)NC[C@]1(CO)COCCN1C ZINC000922514459 656680478 /nfs/dbraw/zinc/68/04/78/656680478.db2.gz IEZGXESMZJMNRS-ZDUSSCGKSA-N 1 2 297.359 -1.088 20 0 CAADLO Cc1nnc(CC(=O)N(C)[C@@H]2CC[N@H+](CC(N)=O)C2)[nH]1 ZINC001033073264 656683341 /nfs/dbraw/zinc/68/33/41/656683341.db2.gz WVIKKJFCUADPGM-SECBINFHSA-N 1 2 280.332 -1.326 20 0 CAADLO Cc1nnc(CC(=O)N(C)[C@@H]2CC[N@@H+](CC(N)=O)C2)[nH]1 ZINC001033073264 656683347 /nfs/dbraw/zinc/68/33/47/656683347.db2.gz WVIKKJFCUADPGM-SECBINFHSA-N 1 2 280.332 -1.326 20 0 CAADLO CN(C(=O)C1CS(=O)(=O)C1)[C@H]1CC[N@H+](CCO)C1 ZINC001033111237 656684248 /nfs/dbraw/zinc/68/42/48/656684248.db2.gz MIXZZEDKOAPESM-JTQLQIEISA-N 1 2 276.358 -1.444 20 0 CAADLO CN(C(=O)C1CS(=O)(=O)C1)[C@H]1CC[N@@H+](CCO)C1 ZINC001033111237 656684252 /nfs/dbraw/zinc/68/42/52/656684252.db2.gz MIXZZEDKOAPESM-JTQLQIEISA-N 1 2 276.358 -1.444 20 0 CAADLO CN(C(=O)[C@@H]1CC(=O)N(C)C1)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001033124650 656687987 /nfs/dbraw/zinc/68/79/87/656687987.db2.gz PELMOMKNXLPNIZ-ZJUUUORDSA-N 1 2 282.344 -1.517 20 0 CAADLO CN(C(=O)[C@@H]1CC(=O)N(C)C1)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033124650 656687994 /nfs/dbraw/zinc/68/79/94/656687994.db2.gz PELMOMKNXLPNIZ-ZJUUUORDSA-N 1 2 282.344 -1.517 20 0 CAADLO CN(C(=O)[C@@H]1CC(=O)N(C)C1)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001033124646 656688960 /nfs/dbraw/zinc/68/89/60/656688960.db2.gz PELMOMKNXLPNIZ-NXEZZACHSA-N 1 2 282.344 -1.517 20 0 CAADLO CN(C(=O)[C@@H]1CC(=O)N(C)C1)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033124646 656688971 /nfs/dbraw/zinc/68/89/71/656688971.db2.gz PELMOMKNXLPNIZ-NXEZZACHSA-N 1 2 282.344 -1.517 20 0 CAADLO CCN1C[C@@H](C(=O)N(C)[C@H]2CC[N@H+](CC(N)=O)C2)CC1=O ZINC001033122840 656689051 /nfs/dbraw/zinc/68/90/51/656689051.db2.gz HNWCKCZYAWAMKR-QWRGUYRKSA-N 1 2 296.371 -1.127 20 0 CAADLO CCN1C[C@@H](C(=O)N(C)[C@H]2CC[N@@H+](CC(N)=O)C2)CC1=O ZINC001033122840 656689064 /nfs/dbraw/zinc/68/90/64/656689064.db2.gz HNWCKCZYAWAMKR-QWRGUYRKSA-N 1 2 296.371 -1.127 20 0 CAADLO CN(C(=O)[C@H]1CCCNC1=O)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001033170186 656690196 /nfs/dbraw/zinc/69/01/96/656690196.db2.gz QUBLFKZRGDIYBS-UWVGGRQHSA-N 1 2 282.344 -1.469 20 0 CAADLO CN(C(=O)[C@H]1CCCNC1=O)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033170186 656690199 /nfs/dbraw/zinc/69/01/99/656690199.db2.gz QUBLFKZRGDIYBS-UWVGGRQHSA-N 1 2 282.344 -1.469 20 0 CAADLO CN(C(=O)[C@@H]1CCCNC1=O)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001033170185 656690376 /nfs/dbraw/zinc/69/03/76/656690376.db2.gz QUBLFKZRGDIYBS-NXEZZACHSA-N 1 2 282.344 -1.469 20 0 CAADLO CN(C(=O)[C@@H]1CCCNC1=O)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033170185 656690378 /nfs/dbraw/zinc/69/03/78/656690378.db2.gz QUBLFKZRGDIYBS-NXEZZACHSA-N 1 2 282.344 -1.469 20 0 CAADLO CN(C(=O)CN1CCOCC1=O)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001033152049 656690664 /nfs/dbraw/zinc/69/06/64/656690664.db2.gz JRJWNUFPHLOABR-SNVBAGLBSA-N 1 2 298.343 -2.137 20 0 CAADLO CN(C(=O)CN1CCOCC1=O)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033152049 656690673 /nfs/dbraw/zinc/69/06/73/656690673.db2.gz JRJWNUFPHLOABR-SNVBAGLBSA-N 1 2 298.343 -2.137 20 0 CAADLO CN(C(=O)c1cc(=O)n(C)cn1)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001033161592 656690775 /nfs/dbraw/zinc/69/07/75/656690775.db2.gz NORIILQQDLHERB-SECBINFHSA-N 1 2 293.327 -1.588 20 0 CAADLO CN(C(=O)c1cc(=O)n(C)cn1)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033161592 656690780 /nfs/dbraw/zinc/69/07/80/656690780.db2.gz NORIILQQDLHERB-SECBINFHSA-N 1 2 293.327 -1.588 20 0 CAADLO CN(C(=O)C[C@@H]1NC(=O)NC1=O)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001033158443 656690970 /nfs/dbraw/zinc/69/09/70/656690970.db2.gz ZFFPXQUXQDQAAV-YUMQZZPRSA-N 1 2 297.315 -2.398 20 0 CAADLO CN(C(=O)C[C@@H]1NC(=O)NC1=O)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033158443 656690973 /nfs/dbraw/zinc/69/09/73/656690973.db2.gz ZFFPXQUXQDQAAV-YUMQZZPRSA-N 1 2 297.315 -2.398 20 0 CAADLO CN(C(=O)[C@H]1CCCC(=O)N1)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001033177973 656691199 /nfs/dbraw/zinc/69/11/99/656691199.db2.gz RDKAVYZRZVZNRX-VHSXEESVSA-N 1 2 282.344 -1.327 20 0 CAADLO CN(C(=O)[C@H]1CCCC(=O)N1)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033177973 656691203 /nfs/dbraw/zinc/69/12/03/656691203.db2.gz RDKAVYZRZVZNRX-VHSXEESVSA-N 1 2 282.344 -1.327 20 0 CAADLO CN(C(=O)[C@@]1(C)CCNC(=O)C1)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001033192756 656692358 /nfs/dbraw/zinc/69/23/58/656692358.db2.gz PYELBWBPFORPMK-YGRLFVJLSA-N 1 2 296.371 -1.079 20 0 CAADLO CN(C(=O)[C@@]1(C)CCNC(=O)C1)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033192756 656692363 /nfs/dbraw/zinc/69/23/63/656692363.db2.gz PYELBWBPFORPMK-YGRLFVJLSA-N 1 2 296.371 -1.079 20 0 CAADLO CN(C(=O)CN1CCCNC1=O)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001033228853 656693896 /nfs/dbraw/zinc/69/38/96/656693896.db2.gz OIVNQICVSNSPAM-SNVBAGLBSA-N 1 2 297.359 -1.580 20 0 CAADLO CN(C(=O)CN1CCCNC1=O)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033228853 656693909 /nfs/dbraw/zinc/69/39/09/656693909.db2.gz OIVNQICVSNSPAM-SNVBAGLBSA-N 1 2 297.359 -1.580 20 0 CAADLO CN(C(=O)[C@H]1CCN(C)C(=O)C1)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001033202356 656696252 /nfs/dbraw/zinc/69/62/52/656696252.db2.gz FXNQMNVMBWBGCT-WDEREUQCSA-N 1 2 296.371 -1.127 20 0 CAADLO CN(C(=O)[C@H]1CCN(C)C(=O)C1)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033202356 656696264 /nfs/dbraw/zinc/69/62/64/656696264.db2.gz FXNQMNVMBWBGCT-WDEREUQCSA-N 1 2 296.371 -1.127 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CC[C@H](N(C)C(=O)c2cn[nH]n2)C1 ZINC001033216051 656697416 /nfs/dbraw/zinc/69/74/16/656697416.db2.gz HMEZCUIZLIFJLZ-YUMQZZPRSA-N 1 2 266.305 -1.175 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CC[C@H](N(C)C(=O)c2cn[nH]n2)C1 ZINC001033216051 656697434 /nfs/dbraw/zinc/69/74/34/656697434.db2.gz HMEZCUIZLIFJLZ-YUMQZZPRSA-N 1 2 266.305 -1.175 20 0 CAADLO CN(C(=O)[C@H]1CCNC(=O)CC1)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001033300230 656701204 /nfs/dbraw/zinc/70/12/04/656701204.db2.gz YSJUUZBLBAQYKN-GHMZBOCLSA-N 1 2 296.371 -1.079 20 0 CAADLO CN(C(=O)[C@H]1CCNC(=O)CC1)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033300230 656701216 /nfs/dbraw/zinc/70/12/16/656701216.db2.gz YSJUUZBLBAQYKN-GHMZBOCLSA-N 1 2 296.371 -1.079 20 0 CAADLO Cc1n[nH]nc1C(=O)N(C)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001033317452 656701428 /nfs/dbraw/zinc/70/14/28/656701428.db2.gz DVGHVLORFZRSCS-MRVPVSSYSA-N 1 2 266.305 -1.255 20 0 CAADLO Cc1n[nH]nc1C(=O)N(C)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033317452 656701436 /nfs/dbraw/zinc/70/14/36/656701436.db2.gz DVGHVLORFZRSCS-MRVPVSSYSA-N 1 2 266.305 -1.255 20 0 CAADLO CN(C(=O)[C@@H]1CCNC(=O)CC1)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001033300233 656702000 /nfs/dbraw/zinc/70/20/00/656702000.db2.gz YSJUUZBLBAQYKN-WDEREUQCSA-N 1 2 296.371 -1.079 20 0 CAADLO CN(C(=O)[C@@H]1CCNC(=O)CC1)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033300233 656702010 /nfs/dbraw/zinc/70/20/10/656702010.db2.gz YSJUUZBLBAQYKN-WDEREUQCSA-N 1 2 296.371 -1.079 20 0 CAADLO CN(C(=O)[C@]1(C)CNC(=O)C1)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001033290073 656702332 /nfs/dbraw/zinc/70/23/32/656702332.db2.gz NGOJQITUUSWLTN-ZANVPECISA-N 1 2 282.344 -1.469 20 0 CAADLO CN(C(=O)[C@]1(C)CNC(=O)C1)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033290073 656702339 /nfs/dbraw/zinc/70/23/39/656702339.db2.gz NGOJQITUUSWLTN-ZANVPECISA-N 1 2 282.344 -1.469 20 0 CAADLO Cc1n[nH]nc1C(=O)N(C)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001033317453 656702524 /nfs/dbraw/zinc/70/25/24/656702524.db2.gz DVGHVLORFZRSCS-QMMMGPOBSA-N 1 2 266.305 -1.255 20 0 CAADLO Cc1n[nH]nc1C(=O)N(C)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033317453 656702530 /nfs/dbraw/zinc/70/25/30/656702530.db2.gz DVGHVLORFZRSCS-QMMMGPOBSA-N 1 2 266.305 -1.255 20 0 CAADLO CN(C(=O)[C@H]1CCNC(=O)CC1)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001033300231 656702609 /nfs/dbraw/zinc/70/26/09/656702609.db2.gz YSJUUZBLBAQYKN-MNOVXSKESA-N 1 2 296.371 -1.079 20 0 CAADLO CN(C(=O)[C@H]1CCNC(=O)CC1)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033300231 656702616 /nfs/dbraw/zinc/70/26/16/656702616.db2.gz YSJUUZBLBAQYKN-MNOVXSKESA-N 1 2 296.371 -1.079 20 0 CAADLO CN(C(=O)c1cn(C)c(=O)cn1)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001033275501 656702935 /nfs/dbraw/zinc/70/29/35/656702935.db2.gz IJTMQCXEQAHVLU-VIFPVBQESA-N 1 2 293.327 -1.588 20 0 CAADLO CN(C(=O)c1cn(C)c(=O)cn1)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033275501 656702940 /nfs/dbraw/zinc/70/29/40/656702940.db2.gz IJTMQCXEQAHVLU-VIFPVBQESA-N 1 2 293.327 -1.588 20 0 CAADLO CN(C(=O)CN1CCNC(=O)C1)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001033326492 656703475 /nfs/dbraw/zinc/70/34/75/656703475.db2.gz CJZMHSABVQQQIW-SNVBAGLBSA-N 1 2 297.359 -2.564 20 0 CAADLO CN(C(=O)CN1CCNC(=O)C1)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033326492 656703484 /nfs/dbraw/zinc/70/34/84/656703484.db2.gz CJZMHSABVQQQIW-SNVBAGLBSA-N 1 2 297.359 -2.564 20 0 CAADLO CN(C)C(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)c2nnn(C)n2)C1 ZINC001033338068 656703712 /nfs/dbraw/zinc/70/37/12/656703712.db2.gz UMUYUGXEQQIHOH-SECBINFHSA-N 1 2 295.347 -1.555 20 0 CAADLO CN(C)C(=O)C[N@H+]1CC[C@@H](N(C)C(=O)c2nnn(C)n2)C1 ZINC001033338068 656703732 /nfs/dbraw/zinc/70/37/32/656703732.db2.gz UMUYUGXEQQIHOH-SECBINFHSA-N 1 2 295.347 -1.555 20 0 CAADLO CN(C(=O)[C@@H]1CCC(=O)N1C)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001033336623 656704845 /nfs/dbraw/zinc/70/48/45/656704845.db2.gz VOUMVDAIZCJGQU-UWVGGRQHSA-N 1 2 282.344 -1.375 20 0 CAADLO CN(C(=O)[C@@H]1CCC(=O)N1C)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033336623 656704848 /nfs/dbraw/zinc/70/48/48/656704848.db2.gz VOUMVDAIZCJGQU-UWVGGRQHSA-N 1 2 282.344 -1.375 20 0 CAADLO CN(C(=O)[C@H]1CCNC1=O)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001033323020 656705051 /nfs/dbraw/zinc/70/50/51/656705051.db2.gz ZCESLJSWHYZPPC-BDAKNGLRSA-N 1 2 268.317 -1.860 20 0 CAADLO CN(C(=O)[C@H]1CCNC1=O)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033323020 656705064 /nfs/dbraw/zinc/70/50/64/656705064.db2.gz ZCESLJSWHYZPPC-BDAKNGLRSA-N 1 2 268.317 -1.860 20 0 CAADLO CN(C(=O)c1c[nH]c(=O)n1C)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001033335006 656705748 /nfs/dbraw/zinc/70/57/48/656705748.db2.gz YTSPINPHDWAZEF-MRVPVSSYSA-N 1 2 281.316 -1.243 20 0 CAADLO CN(C(=O)c1c[nH]c(=O)n1C)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033335006 656705757 /nfs/dbraw/zinc/70/57/57/656705757.db2.gz YTSPINPHDWAZEF-MRVPVSSYSA-N 1 2 281.316 -1.243 20 0 CAADLO CN(C(=O)[C@@H]1CCNC1=O)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001033323023 656705835 /nfs/dbraw/zinc/70/58/35/656705835.db2.gz ZCESLJSWHYZPPC-RKDXNWHRSA-N 1 2 268.317 -1.860 20 0 CAADLO CN(C(=O)[C@@H]1CCNC1=O)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033323023 656705854 /nfs/dbraw/zinc/70/58/54/656705854.db2.gz ZCESLJSWHYZPPC-RKDXNWHRSA-N 1 2 268.317 -1.860 20 0 CAADLO CN(C(=O)[C@H]1CCC(=O)N1C)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001033356457 656707672 /nfs/dbraw/zinc/70/76/72/656707672.db2.gz VOUMVDAIZCJGQU-NXEZZACHSA-N 1 2 282.344 -1.375 20 0 CAADLO CN(C(=O)[C@H]1CCC(=O)N1C)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033356457 656707676 /nfs/dbraw/zinc/70/76/76/656707676.db2.gz VOUMVDAIZCJGQU-NXEZZACHSA-N 1 2 282.344 -1.375 20 0 CAADLO CN(C(=O)[C@]1(C)CCC(=O)NC1)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001033341685 656707680 /nfs/dbraw/zinc/70/76/80/656707680.db2.gz BOSGRZZPROFLSI-QMTHXVAHSA-N 1 2 296.371 -1.079 20 0 CAADLO CN(C(=O)[C@]1(C)CCC(=O)NC1)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033341685 656707682 /nfs/dbraw/zinc/70/76/82/656707682.db2.gz BOSGRZZPROFLSI-QMTHXVAHSA-N 1 2 296.371 -1.079 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+]1CC[C@@H](N(C)C(=O)c2nnn(C)n2)C1 ZINC001033343405 656708039 /nfs/dbraw/zinc/70/80/39/656708039.db2.gz DUCRZUCNFHCZFT-DTWKUNHWSA-N 1 2 295.347 -1.509 20 0 CAADLO CNC(=O)[C@H](C)[N@H+]1CC[C@@H](N(C)C(=O)c2nnn(C)n2)C1 ZINC001033343405 656708053 /nfs/dbraw/zinc/70/80/53/656708053.db2.gz DUCRZUCNFHCZFT-DTWKUNHWSA-N 1 2 295.347 -1.509 20 0 CAADLO CN(C(=O)[C@H]1CCC(=O)N1C)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001033356461 656708500 /nfs/dbraw/zinc/70/85/00/656708500.db2.gz VOUMVDAIZCJGQU-VHSXEESVSA-N 1 2 282.344 -1.375 20 0 CAADLO CN(C(=O)[C@H]1CCC(=O)N1C)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033356461 656708512 /nfs/dbraw/zinc/70/85/12/656708512.db2.gz VOUMVDAIZCJGQU-VHSXEESVSA-N 1 2 282.344 -1.375 20 0 CAADLO CN(C(=O)c1nnn(C)n1)[C@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001033340477 656708853 /nfs/dbraw/zinc/70/88/53/656708853.db2.gz GSWTYVBCYAWAOA-DTWKUNHWSA-N 1 2 293.331 -1.755 20 0 CAADLO CN(C(=O)c1nnn(C)n1)[C@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001033340477 656708866 /nfs/dbraw/zinc/70/88/66/656708866.db2.gz GSWTYVBCYAWAOA-DTWKUNHWSA-N 1 2 293.331 -1.755 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](N(C)C(=O)c2nnn(C)n2)C1 ZINC001033343407 656709211 /nfs/dbraw/zinc/70/92/11/656709211.db2.gz DUCRZUCNFHCZFT-RKDXNWHRSA-N 1 2 295.347 -1.509 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+]1CC[C@@H](N(C)C(=O)c2nnn(C)n2)C1 ZINC001033343407 656709217 /nfs/dbraw/zinc/70/92/17/656709217.db2.gz DUCRZUCNFHCZFT-RKDXNWHRSA-N 1 2 295.347 -1.509 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+]1CC[C@H](N(C)C(=O)c2nnn(C)n2)C1 ZINC001033343404 656709749 /nfs/dbraw/zinc/70/97/49/656709749.db2.gz DUCRZUCNFHCZFT-BDAKNGLRSA-N 1 2 295.347 -1.509 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+]1CC[C@H](N(C)C(=O)c2nnn(C)n2)C1 ZINC001033343404 656709754 /nfs/dbraw/zinc/70/97/54/656709754.db2.gz DUCRZUCNFHCZFT-BDAKNGLRSA-N 1 2 295.347 -1.509 20 0 CAADLO CN(C(=O)C(N)=O)[C@H]1CC[N@H+](CC(=O)N2CCC2)C1 ZINC001033374308 656710635 /nfs/dbraw/zinc/71/06/35/656710635.db2.gz VULQAFYHFIGBKS-VIFPVBQESA-N 1 2 268.317 -1.763 20 0 CAADLO CN(C(=O)C(N)=O)[C@H]1CC[N@@H+](CC(=O)N2CCC2)C1 ZINC001033374308 656710639 /nfs/dbraw/zinc/71/06/39/656710639.db2.gz VULQAFYHFIGBKS-VIFPVBQESA-N 1 2 268.317 -1.763 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](N(C)C(=O)C(N)=O)C1 ZINC001033375124 656710860 /nfs/dbraw/zinc/71/08/60/656710860.db2.gz CBYHEOPKKAEAFU-HTQZYQBOSA-N 1 2 256.306 -1.861 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+]1CC[C@@H](N(C)C(=O)C(N)=O)C1 ZINC001033375124 656710865 /nfs/dbraw/zinc/71/08/65/656710865.db2.gz CBYHEOPKKAEAFU-HTQZYQBOSA-N 1 2 256.306 -1.861 20 0 CAADLO CN(C(=O)C(N)=O)[C@H]1CC[N@H+](CC(=O)NC2CC2)C1 ZINC001033378868 656712699 /nfs/dbraw/zinc/71/26/99/656712699.db2.gz OPKURRHXIQYDSO-VIFPVBQESA-N 1 2 268.317 -1.717 20 0 CAADLO CN(C(=O)C(N)=O)[C@H]1CC[N@@H+](CC(=O)NC2CC2)C1 ZINC001033378868 656712705 /nfs/dbraw/zinc/71/27/05/656712705.db2.gz OPKURRHXIQYDSO-VIFPVBQESA-N 1 2 268.317 -1.717 20 0 CAADLO CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N(C)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001033419900 656713031 /nfs/dbraw/zinc/71/30/31/656713031.db2.gz DLURYBKWLJFLKI-MXWKQRLJSA-N 1 2 296.371 -1.271 20 0 CAADLO CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N(C)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033419900 656713037 /nfs/dbraw/zinc/71/30/37/656713037.db2.gz DLURYBKWLJFLKI-MXWKQRLJSA-N 1 2 296.371 -1.271 20 0 CAADLO CN(C(=O)[C@@]1(C)CCNC1=O)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001033421388 656713400 /nfs/dbraw/zinc/71/34/00/656713400.db2.gz NVDLPCRUHNDQTE-ZANVPECISA-N 1 2 282.344 -1.469 20 0 CAADLO CN(C(=O)[C@@]1(C)CCNC1=O)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033421388 656713408 /nfs/dbraw/zinc/71/34/08/656713408.db2.gz NVDLPCRUHNDQTE-ZANVPECISA-N 1 2 282.344 -1.469 20 0 CAADLO CN(C(=O)[C@H]1CC[C@@H](C(N)=O)O1)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001033408413 656713435 /nfs/dbraw/zinc/71/34/35/656713435.db2.gz AKCMMVKIHQEODW-KXUCPTDWSA-N 1 2 298.343 -1.963 20 0 CAADLO CN(C(=O)[C@H]1CC[C@@H](C(N)=O)O1)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033408413 656713439 /nfs/dbraw/zinc/71/34/39/656713439.db2.gz AKCMMVKIHQEODW-KXUCPTDWSA-N 1 2 298.343 -1.963 20 0 CAADLO CN(C(=O)C(N)=O)[C@@H]1CC[N@H+](Cc2ccnn2C)C1 ZINC001033379070 656713915 /nfs/dbraw/zinc/71/39/15/656713915.db2.gz RDDOAPHVIAQRIV-SECBINFHSA-N 1 2 265.317 -1.062 20 0 CAADLO CN(C(=O)C(N)=O)[C@@H]1CC[N@@H+](Cc2ccnn2C)C1 ZINC001033379070 656713921 /nfs/dbraw/zinc/71/39/21/656713921.db2.gz RDDOAPHVIAQRIV-SECBINFHSA-N 1 2 265.317 -1.062 20 0 CAADLO CN(C(=O)[C@H]1CC[C@@H](C(N)=O)O1)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001033408417 656713935 /nfs/dbraw/zinc/71/39/35/656713935.db2.gz AKCMMVKIHQEODW-LPEHRKFASA-N 1 2 298.343 -1.963 20 0 CAADLO CN(C(=O)[C@H]1CC[C@@H](C(N)=O)O1)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033408417 656713940 /nfs/dbraw/zinc/71/39/40/656713940.db2.gz AKCMMVKIHQEODW-LPEHRKFASA-N 1 2 298.343 -1.963 20 0 CAADLO CN(C(=O)[C@H]1CC[C@@H](C(N)=O)C1)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001033427626 656716034 /nfs/dbraw/zinc/71/60/34/656716034.db2.gz GFYCEAZADOEVDB-OUAUKWLOSA-N 1 2 296.371 -1.094 20 0 CAADLO CN(C(=O)[C@H]1CC[C@@H](C(N)=O)C1)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033427626 656716045 /nfs/dbraw/zinc/71/60/45/656716045.db2.gz GFYCEAZADOEVDB-OUAUKWLOSA-N 1 2 296.371 -1.094 20 0 CAADLO CN(C(=O)c1cnn(C)n1)[C@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001033502890 656716121 /nfs/dbraw/zinc/71/61/21/656716121.db2.gz SNIVFXZBXRUDQZ-GXSJLCMTSA-N 1 2 292.343 -1.150 20 0 CAADLO CN(C(=O)c1cnn(C)n1)[C@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001033502890 656716125 /nfs/dbraw/zinc/71/61/25/656716125.db2.gz SNIVFXZBXRUDQZ-GXSJLCMTSA-N 1 2 292.343 -1.150 20 0 CAADLO CN(C(=O)c1ccc(C(N)=O)[nH]1)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001033426337 656716131 /nfs/dbraw/zinc/71/61/31/656716131.db2.gz RBUYTEUWRPYZEZ-MRVPVSSYSA-N 1 2 293.327 -1.255 20 0 CAADLO CN(C(=O)c1ccc(C(N)=O)[nH]1)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033426337 656716134 /nfs/dbraw/zinc/71/61/34/656716134.db2.gz RBUYTEUWRPYZEZ-MRVPVSSYSA-N 1 2 293.327 -1.255 20 0 CAADLO CN(C(=O)c1ccc(C(N)=O)[nH]1)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001033426340 656716142 /nfs/dbraw/zinc/71/61/42/656716142.db2.gz RBUYTEUWRPYZEZ-QMMMGPOBSA-N 1 2 293.327 -1.255 20 0 CAADLO CN(C(=O)c1ccc(C(N)=O)[nH]1)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033426340 656716144 /nfs/dbraw/zinc/71/61/44/656716144.db2.gz RBUYTEUWRPYZEZ-QMMMGPOBSA-N 1 2 293.327 -1.255 20 0 CAADLO CN(C(=O)[C@H]1CC[C@@H](C(N)=O)C1)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001033427628 656716829 /nfs/dbraw/zinc/71/68/29/656716829.db2.gz GFYCEAZADOEVDB-VWYCJHECSA-N 1 2 296.371 -1.094 20 0 CAADLO CN(C(=O)[C@H]1CC[C@@H](C(N)=O)C1)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033427628 656716852 /nfs/dbraw/zinc/71/68/52/656716852.db2.gz GFYCEAZADOEVDB-VWYCJHECSA-N 1 2 296.371 -1.094 20 0 CAADLO CN(C(=O)c1cc(C(N)=O)c[nH]1)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001033541426 656717994 /nfs/dbraw/zinc/71/79/94/656717994.db2.gz WJNHHUXOAUXCNH-VIFPVBQESA-N 1 2 293.327 -1.255 20 0 CAADLO CN(C(=O)c1cc(C(N)=O)c[nH]1)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033541426 656718001 /nfs/dbraw/zinc/71/80/01/656718001.db2.gz WJNHHUXOAUXCNH-VIFPVBQESA-N 1 2 293.327 -1.255 20 0 CAADLO C[C@@H]1CCN(C(=O)C(N)=O)C[C@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC001005200731 656718356 /nfs/dbraw/zinc/71/83/56/656718356.db2.gz UEVLZVKPXBBPHP-RKDXNWHRSA-N 1 2 293.327 -1.209 20 0 CAADLO CN(C(=O)c1nc[nH]n1)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001033519821 656718970 /nfs/dbraw/zinc/71/89/70/656718970.db2.gz WVHAVWKQAXGSMO-SSDOTTSWSA-N 1 2 252.278 -1.564 20 0 CAADLO CN(C(=O)c1nc[nH]n1)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033519821 656718977 /nfs/dbraw/zinc/71/89/77/656718977.db2.gz WVHAVWKQAXGSMO-SSDOTTSWSA-N 1 2 252.278 -1.564 20 0 CAADLO C[C@H]1CCN(C(=O)C(N)=O)C[C@@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC001005200729 656718993 /nfs/dbraw/zinc/71/89/93/656718993.db2.gz UEVLZVKPXBBPHP-IUCAKERBSA-N 1 2 293.327 -1.209 20 0 CAADLO CN(C(=O)c1nc[nH]n1)[C@@H]1CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001033516981 656719493 /nfs/dbraw/zinc/71/94/93/656719493.db2.gz BDNZEPCNVJKDAR-BDAKNGLRSA-N 1 2 278.316 -1.161 20 0 CAADLO CN(C(=O)c1nc[nH]n1)[C@@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001033516981 656719504 /nfs/dbraw/zinc/71/95/04/656719504.db2.gz BDNZEPCNVJKDAR-BDAKNGLRSA-N 1 2 278.316 -1.161 20 0 CAADLO CN(C(=O)Cc1ncn[nH]1)[C@H]1CC[N@H+](CCO)C1 ZINC001033570523 656719876 /nfs/dbraw/zinc/71/98/76/656719876.db2.gz BIAMWSMAGSMDQQ-VIFPVBQESA-N 1 2 253.306 -1.128 20 0 CAADLO CN(C(=O)Cc1ncn[nH]1)[C@H]1CC[N@@H+](CCO)C1 ZINC001033570523 656719884 /nfs/dbraw/zinc/71/98/84/656719884.db2.gz BIAMWSMAGSMDQQ-VIFPVBQESA-N 1 2 253.306 -1.128 20 0 CAADLO CN(C(=O)Cc1nnc[nH]1)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001033572145 656720222 /nfs/dbraw/zinc/72/02/22/656720222.db2.gz YFNQQNHGFLAHFF-MRVPVSSYSA-N 1 2 266.305 -1.635 20 0 CAADLO CN(C(=O)Cc1nnc[nH]1)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033572145 656720243 /nfs/dbraw/zinc/72/02/43/656720243.db2.gz YFNQQNHGFLAHFF-MRVPVSSYSA-N 1 2 266.305 -1.635 20 0 CAADLO CN(C(=O)Cc1nnc[nH]1)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001033572146 656720758 /nfs/dbraw/zinc/72/07/58/656720758.db2.gz YFNQQNHGFLAHFF-QMMMGPOBSA-N 1 2 266.305 -1.635 20 0 CAADLO CN(C(=O)Cc1nnc[nH]1)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033572146 656720762 /nfs/dbraw/zinc/72/07/62/656720762.db2.gz YFNQQNHGFLAHFF-QMMMGPOBSA-N 1 2 266.305 -1.635 20 0 CAADLO C[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1NC(=O)C(N)=O ZINC001005217532 656720896 /nfs/dbraw/zinc/72/08/96/656720896.db2.gz NXCHOOUAQMWUJI-WPRPVWTQSA-N 1 2 293.327 -1.209 20 0 CAADLO CN(C(=O)Cc1cncn1C)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001033588054 656720949 /nfs/dbraw/zinc/72/09/49/656720949.db2.gz JFCCMZMLTUZPMQ-JTQLQIEISA-N 1 2 279.344 -1.019 20 0 CAADLO CN(C(=O)Cc1cncn1C)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033588054 656720958 /nfs/dbraw/zinc/72/09/58/656720958.db2.gz JFCCMZMLTUZPMQ-JTQLQIEISA-N 1 2 279.344 -1.019 20 0 CAADLO C[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C[C@H]1NC(=O)C(N)=O ZINC001005230688 656722713 /nfs/dbraw/zinc/72/27/13/656722713.db2.gz FOMXXIRCPAVWIZ-VHSXEESVSA-N 1 2 293.327 -1.278 20 0 CAADLO CN(C(=O)[C@@H]1CCC(=O)N1)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001033599452 656722922 /nfs/dbraw/zinc/72/29/22/656722922.db2.gz ROYQJQYSGDDMJI-IUCAKERBSA-N 1 2 268.317 -1.717 20 0 CAADLO CN(C(=O)[C@@H]1CCC(=O)N1)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033599452 656722927 /nfs/dbraw/zinc/72/29/27/656722927.db2.gz ROYQJQYSGDDMJI-IUCAKERBSA-N 1 2 268.317 -1.717 20 0 CAADLO CC(=O)N1CC[C@@H](C(=O)N(C)[C@H]2CC[N@H+](CC(N)=O)C2)C1 ZINC001033618347 656723493 /nfs/dbraw/zinc/72/34/93/656723493.db2.gz CMVAFFQCKHOPCE-NEPJUHHUSA-N 1 2 296.371 -1.127 20 0 CAADLO CC(=O)N1CC[C@@H](C(=O)N(C)[C@H]2CC[N@@H+](CC(N)=O)C2)C1 ZINC001033618347 656723505 /nfs/dbraw/zinc/72/35/05/656723505.db2.gz CMVAFFQCKHOPCE-NEPJUHHUSA-N 1 2 296.371 -1.127 20 0 CAADLO C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C[C@@H]1NC(=O)C(N)=O ZINC001005230690 656723557 /nfs/dbraw/zinc/72/35/57/656723557.db2.gz FOMXXIRCPAVWIZ-ZJUUUORDSA-N 1 2 293.327 -1.278 20 0 CAADLO CN(C(=O)[C@@H]1CCC(=O)N1)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001033599450 656723982 /nfs/dbraw/zinc/72/39/82/656723982.db2.gz ROYQJQYSGDDMJI-BDAKNGLRSA-N 1 2 268.317 -1.717 20 0 CAADLO CN(C(=O)[C@@H]1CCC(=O)N1)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033599450 656723991 /nfs/dbraw/zinc/72/39/91/656723991.db2.gz ROYQJQYSGDDMJI-BDAKNGLRSA-N 1 2 268.317 -1.717 20 0 CAADLO CN(C(=O)CN1C(=O)CNC1=O)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001033644471 656725097 /nfs/dbraw/zinc/72/50/97/656725097.db2.gz MHUDODRDJSBBGC-MRVPVSSYSA-N 1 2 297.315 -2.444 20 0 CAADLO CN(C(=O)CN1C(=O)CNC1=O)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033644471 656725110 /nfs/dbraw/zinc/72/51/10/656725110.db2.gz MHUDODRDJSBBGC-MRVPVSSYSA-N 1 2 297.315 -2.444 20 0 CAADLO CN(C(=O)c1c[nH]c(C(N)=O)c1)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001033661700 656725234 /nfs/dbraw/zinc/72/52/34/656725234.db2.gz QMQKVPIJSPAFHB-VIFPVBQESA-N 1 2 293.327 -1.255 20 0 CAADLO CN(C(=O)c1c[nH]c(C(N)=O)c1)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033661700 656725247 /nfs/dbraw/zinc/72/52/47/656725247.db2.gz QMQKVPIJSPAFHB-VIFPVBQESA-N 1 2 293.327 -1.255 20 0 CAADLO CN(C(=O)CN1C(=O)CCC1=O)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001033645332 656725303 /nfs/dbraw/zinc/72/53/03/656725303.db2.gz BPBDCMYHLGVBFS-VIFPVBQESA-N 1 2 296.327 -1.847 20 0 CAADLO CN(C(=O)CN1C(=O)CCC1=O)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033645332 656725312 /nfs/dbraw/zinc/72/53/12/656725312.db2.gz BPBDCMYHLGVBFS-VIFPVBQESA-N 1 2 296.327 -1.847 20 0 CAADLO CN(C(=O)CN1C(=O)CNC1=O)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001033644472 656725679 /nfs/dbraw/zinc/72/56/79/656725679.db2.gz MHUDODRDJSBBGC-QMMMGPOBSA-N 1 2 297.315 -2.444 20 0 CAADLO CN(C(=O)CN1C(=O)CNC1=O)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033644472 656725685 /nfs/dbraw/zinc/72/56/85/656725685.db2.gz MHUDODRDJSBBGC-QMMMGPOBSA-N 1 2 297.315 -2.444 20 0 CAADLO CN(C(=O)c1ccc(=O)n(C)n1)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001033639840 656725803 /nfs/dbraw/zinc/72/58/03/656725803.db2.gz ILSOPVZXJJIAOB-SECBINFHSA-N 1 2 293.327 -1.588 20 0 CAADLO CN(C(=O)c1ccc(=O)n(C)n1)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033639840 656725818 /nfs/dbraw/zinc/72/58/18/656725818.db2.gz ILSOPVZXJJIAOB-SECBINFHSA-N 1 2 293.327 -1.588 20 0 CAADLO CN(C(=O)CN1C(=O)CCC1=O)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001033645331 656726024 /nfs/dbraw/zinc/72/60/24/656726024.db2.gz BPBDCMYHLGVBFS-SECBINFHSA-N 1 2 296.327 -1.847 20 0 CAADLO CN(C(=O)CN1C(=O)CCC1=O)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033645331 656726032 /nfs/dbraw/zinc/72/60/32/656726032.db2.gz BPBDCMYHLGVBFS-SECBINFHSA-N 1 2 296.327 -1.847 20 0 CAADLO CN(C(=O)c1c[nH]c(C(N)=O)c1)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001033661698 656726722 /nfs/dbraw/zinc/72/67/22/656726722.db2.gz QMQKVPIJSPAFHB-SECBINFHSA-N 1 2 293.327 -1.255 20 0 CAADLO CN(C(=O)c1c[nH]c(C(N)=O)c1)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033661698 656726736 /nfs/dbraw/zinc/72/67/36/656726736.db2.gz QMQKVPIJSPAFHB-SECBINFHSA-N 1 2 293.327 -1.255 20 0 CAADLO C[C@@H]1CCN(C(=O)C(N)=O)C[C@@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC001005308400 656728932 /nfs/dbraw/zinc/72/89/32/656728932.db2.gz SQNBQDUKJKXZQT-SCZZXKLOSA-N 1 2 293.327 -1.209 20 0 CAADLO CN(C(=O)c1cn(CC(N)=O)nn1)[C@@H]1CC[N@H+](CCF)C1 ZINC001033684475 656729238 /nfs/dbraw/zinc/72/92/38/656729238.db2.gz GBJVVSQWCNZHJM-SECBINFHSA-N 1 2 298.322 -1.121 20 0 CAADLO CN(C(=O)c1cn(CC(N)=O)nn1)[C@@H]1CC[N@@H+](CCF)C1 ZINC001033684475 656729246 /nfs/dbraw/zinc/72/92/46/656729246.db2.gz GBJVVSQWCNZHJM-SECBINFHSA-N 1 2 298.322 -1.121 20 0 CAADLO CN(C(=O)c1cn(C)c(=O)n1C)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001033692931 656729323 /nfs/dbraw/zinc/72/93/23/656729323.db2.gz NIBRZAKFIZDOPS-VIFPVBQESA-N 1 2 295.343 -1.645 20 0 CAADLO CN(C(=O)c1cn(C)c(=O)n1C)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033692931 656729336 /nfs/dbraw/zinc/72/93/36/656729336.db2.gz NIBRZAKFIZDOPS-VIFPVBQESA-N 1 2 295.343 -1.645 20 0 CAADLO CN(C(=O)[C@@H]1CCCN1C(N)=O)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001033704795 656729610 /nfs/dbraw/zinc/72/96/10/656729610.db2.gz CJYQQBONCYUQRJ-UWVGGRQHSA-N 1 2 297.359 -1.453 20 0 CAADLO CN(C(=O)[C@@H]1CCCN1C(N)=O)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033704795 656729620 /nfs/dbraw/zinc/72/96/20/656729620.db2.gz CJYQQBONCYUQRJ-UWVGGRQHSA-N 1 2 297.359 -1.453 20 0 CAADLO CCN(C(=O)[C@H]1COCCO1)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001033761529 656729945 /nfs/dbraw/zinc/72/99/45/656729945.db2.gz NQKBBUIIZVPJBR-GHMZBOCLSA-N 1 2 285.344 -1.190 20 0 CAADLO CCN(C(=O)[C@H]1COCCO1)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033761529 656729954 /nfs/dbraw/zinc/72/99/54/656729954.db2.gz NQKBBUIIZVPJBR-GHMZBOCLSA-N 1 2 285.344 -1.190 20 0 CAADLO CN(C(=O)[C@@H]1CCC(=O)N(C)C1)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001033688273 656730406 /nfs/dbraw/zinc/73/04/06/656730406.db2.gz KFBJZKYJRXJUND-GHMZBOCLSA-N 1 2 296.371 -1.127 20 0 CAADLO CN(C(=O)[C@@H]1CCC(=O)N(C)C1)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033688273 656730410 /nfs/dbraw/zinc/73/04/10/656730410.db2.gz KFBJZKYJRXJUND-GHMZBOCLSA-N 1 2 296.371 -1.127 20 0 CAADLO CCN(C(=O)[C@@H]1CC(=O)N(C)C1)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001033852918 656731183 /nfs/dbraw/zinc/73/11/83/656731183.db2.gz ORZVGKHJDOOYEW-MNOVXSKESA-N 1 2 296.371 -1.127 20 0 CAADLO CCN(C(=O)[C@@H]1CC(=O)N(C)C1)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033852918 656731189 /nfs/dbraw/zinc/73/11/89/656731189.db2.gz ORZVGKHJDOOYEW-MNOVXSKESA-N 1 2 296.371 -1.127 20 0 CAADLO CCN(C(=O)[C@H]1CCNC(=O)C1)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001033789512 656731672 /nfs/dbraw/zinc/73/16/72/656731672.db2.gz QMAJQCRQWHLGTI-QWRGUYRKSA-N 1 2 296.371 -1.079 20 0 CAADLO CCN(C(=O)[C@H]1CCNC(=O)C1)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033789512 656731679 /nfs/dbraw/zinc/73/16/79/656731679.db2.gz QMAJQCRQWHLGTI-QWRGUYRKSA-N 1 2 296.371 -1.079 20 0 CAADLO CCN(C(=O)c1nnn(C)n1)[C@@H]1CC[N@@H+]([C@H](C)C(N)=O)C1 ZINC001033926182 656731716 /nfs/dbraw/zinc/73/17/16/656731716.db2.gz ADZZXRMIVRGYID-RKDXNWHRSA-N 1 2 295.347 -1.380 20 0 CAADLO CCN(C(=O)c1nnn(C)n1)[C@@H]1CC[N@H+]([C@H](C)C(N)=O)C1 ZINC001033926182 656731725 /nfs/dbraw/zinc/73/17/25/656731725.db2.gz ADZZXRMIVRGYID-RKDXNWHRSA-N 1 2 295.347 -1.380 20 0 CAADLO CCN(C(=O)[C@H]1CCC(=O)N1)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001033774703 656731979 /nfs/dbraw/zinc/73/19/79/656731979.db2.gz DRBCLTBNWGWCAP-VHSXEESVSA-N 1 2 282.344 -1.327 20 0 CAADLO CCN(C(=O)[C@H]1CCC(=O)N1)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033774703 656731988 /nfs/dbraw/zinc/73/19/88/656731988.db2.gz DRBCLTBNWGWCAP-VHSXEESVSA-N 1 2 282.344 -1.327 20 0 CAADLO CCN(C(=O)[C@@H]1CCNC(=O)C1)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001033789511 656732014 /nfs/dbraw/zinc/73/20/14/656732014.db2.gz QMAJQCRQWHLGTI-MNOVXSKESA-N 1 2 296.371 -1.079 20 0 CAADLO CCN(C(=O)[C@@H]1CCNC(=O)C1)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033789511 656732021 /nfs/dbraw/zinc/73/20/21/656732021.db2.gz QMAJQCRQWHLGTI-MNOVXSKESA-N 1 2 296.371 -1.079 20 0 CAADLO CCN(C(=O)c1nnn(C)n1)[C@H]1CC[N@@H+]([C@@H](C)C(N)=O)C1 ZINC001033926181 656732124 /nfs/dbraw/zinc/73/21/24/656732124.db2.gz ADZZXRMIVRGYID-IUCAKERBSA-N 1 2 295.347 -1.380 20 0 CAADLO CCN(C(=O)c1nnn(C)n1)[C@H]1CC[N@H+]([C@@H](C)C(N)=O)C1 ZINC001033926181 656732131 /nfs/dbraw/zinc/73/21/31/656732131.db2.gz ADZZXRMIVRGYID-IUCAKERBSA-N 1 2 295.347 -1.380 20 0 CAADLO CCN(C(=O)[C@H]1COCCN1C)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001033794873 656732158 /nfs/dbraw/zinc/73/21/58/656732158.db2.gz JQBVYZPLNBAUEE-NWDGAFQWSA-N 1 2 298.387 -1.275 20 0 CAADLO CCN(C(=O)[C@H]1COCCN1C)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033794873 656732162 /nfs/dbraw/zinc/73/21/62/656732162.db2.gz JQBVYZPLNBAUEE-NWDGAFQWSA-N 1 2 298.387 -1.275 20 0 CAADLO CCN(C(=O)C1CN(C(C)=O)C1)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001033810240 656732207 /nfs/dbraw/zinc/73/22/07/656732207.db2.gz RATHIFLFBJFNSN-GFCCVEGCSA-N 1 2 296.371 -1.127 20 0 CAADLO CCN(C(=O)C1CN(C(C)=O)C1)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033810240 656732210 /nfs/dbraw/zinc/73/22/10/656732210.db2.gz RATHIFLFBJFNSN-GFCCVEGCSA-N 1 2 296.371 -1.127 20 0 CAADLO CCN(C(=O)[C@H]1CCNC(=O)C1)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001033789513 656732261 /nfs/dbraw/zinc/73/22/61/656732261.db2.gz QMAJQCRQWHLGTI-WDEREUQCSA-N 1 2 296.371 -1.079 20 0 CAADLO CCN(C(=O)[C@H]1CCNC(=O)C1)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033789513 656732264 /nfs/dbraw/zinc/73/22/64/656732264.db2.gz QMAJQCRQWHLGTI-WDEREUQCSA-N 1 2 296.371 -1.079 20 0 CAADLO CCN(C(=O)c1nnn(C)n1)[C@H]1CC[N@@H+]([C@H](C)C(N)=O)C1 ZINC001033926179 656732335 /nfs/dbraw/zinc/73/23/35/656732335.db2.gz ADZZXRMIVRGYID-BDAKNGLRSA-N 1 2 295.347 -1.380 20 0 CAADLO CCN(C(=O)c1nnn(C)n1)[C@H]1CC[N@H+]([C@H](C)C(N)=O)C1 ZINC001033926179 656732343 /nfs/dbraw/zinc/73/23/43/656732343.db2.gz ADZZXRMIVRGYID-BDAKNGLRSA-N 1 2 295.347 -1.380 20 0 CAADLO CCN(C(=O)[C@@H]1CCCNC1=O)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001033862403 656732460 /nfs/dbraw/zinc/73/24/60/656732460.db2.gz BSLFHXBBJNCXJG-WDEREUQCSA-N 1 2 296.371 -1.079 20 0 CAADLO CCN(C(=O)[C@@H]1CCCNC1=O)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033862403 656732468 /nfs/dbraw/zinc/73/24/68/656732468.db2.gz BSLFHXBBJNCXJG-WDEREUQCSA-N 1 2 296.371 -1.079 20 0 CAADLO CCN(C(=O)[C@H]1CC(=O)N(C)C1)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001033852919 656732489 /nfs/dbraw/zinc/73/24/89/656732489.db2.gz ORZVGKHJDOOYEW-QWRGUYRKSA-N 1 2 296.371 -1.127 20 0 CAADLO CCN(C(=O)[C@H]1CC(=O)N(C)C1)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033852919 656732498 /nfs/dbraw/zinc/73/24/98/656732498.db2.gz ORZVGKHJDOOYEW-QWRGUYRKSA-N 1 2 296.371 -1.127 20 0 CAADLO CCN(C(=O)c1ncn(C)n1)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001033821107 656732732 /nfs/dbraw/zinc/73/27/32/656732732.db2.gz QGYRSPUIENUEHK-SECBINFHSA-N 1 2 280.332 -1.163 20 0 CAADLO CCN(C(=O)c1ncn(C)n1)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033821107 656732736 /nfs/dbraw/zinc/73/27/36/656732736.db2.gz QGYRSPUIENUEHK-SECBINFHSA-N 1 2 280.332 -1.163 20 0 CAADLO CCN(C(=O)c1cn[nH]n1)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001033888946 656732747 /nfs/dbraw/zinc/73/27/47/656732747.db2.gz STBFRTFHAPEBLN-MRVPVSSYSA-N 1 2 266.305 -1.174 20 0 CAADLO CCN(C(=O)c1cn[nH]n1)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033888946 656732751 /nfs/dbraw/zinc/73/27/51/656732751.db2.gz STBFRTFHAPEBLN-MRVPVSSYSA-N 1 2 266.305 -1.174 20 0 CAADLO CCN(C(=O)[C@@H]1C[N@H+](C)CCO1)[C@@H]1CCN(CC(N)=O)C1 ZINC001033789930 656732837 /nfs/dbraw/zinc/73/28/37/656732837.db2.gz REUDOTYTOKIENC-NEPJUHHUSA-N 1 2 298.387 -1.275 20 0 CAADLO CCN(C(=O)[C@@H]1C[N@@H+](C)CCO1)[C@@H]1CCN(CC(N)=O)C1 ZINC001033789930 656732843 /nfs/dbraw/zinc/73/28/43/656732843.db2.gz REUDOTYTOKIENC-NEPJUHHUSA-N 1 2 298.387 -1.275 20 0 CAADLO CCN(C(=O)[C@H]1CCC(=O)NC1)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001033883658 656732897 /nfs/dbraw/zinc/73/28/97/656732897.db2.gz ZYEWPZKATKSGGG-WDEREUQCSA-N 1 2 296.371 -1.079 20 0 CAADLO CCN(C(=O)[C@H]1CCC(=O)NC1)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033883658 656732901 /nfs/dbraw/zinc/73/29/01/656732901.db2.gz ZYEWPZKATKSGGG-WDEREUQCSA-N 1 2 296.371 -1.079 20 0 CAADLO CCN(C(=O)c1cn(C)nn1)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001033824708 656732978 /nfs/dbraw/zinc/73/29/78/656732978.db2.gz RYROIDSTTWNKCG-SECBINFHSA-N 1 2 280.332 -1.163 20 0 CAADLO CCN(C(=O)c1cn(C)nn1)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033824708 656732983 /nfs/dbraw/zinc/73/29/83/656732983.db2.gz RYROIDSTTWNKCG-SECBINFHSA-N 1 2 280.332 -1.163 20 0 CAADLO CCN(C(=O)[C@@H]1COC(=O)N1)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001033815033 656733100 /nfs/dbraw/zinc/73/31/00/656733100.db2.gz GXKMNEOJBANDTF-IUCAKERBSA-N 1 2 284.316 -1.497 20 0 CAADLO CCN(C(=O)[C@@H]1COC(=O)N1)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033815033 656733121 /nfs/dbraw/zinc/73/31/21/656733121.db2.gz GXKMNEOJBANDTF-IUCAKERBSA-N 1 2 284.316 -1.497 20 0 CAADLO NC(=O)C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1[nH]cc[nH+]1)C2 ZINC001005516607 656733707 /nfs/dbraw/zinc/73/37/07/656733707.db2.gz BOJIXVNHHBUIQJ-HLTSFMKQSA-N 1 2 291.311 -1.314 20 0 CAADLO CCN(C(=O)c1nnn(C)n1)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001033920566 656733815 /nfs/dbraw/zinc/73/38/15/656733815.db2.gz UUHQUJNMSSCBAW-QMMMGPOBSA-N 1 2 281.320 -1.768 20 0 CAADLO CCN(C(=O)c1nnn(C)n1)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033920566 656733819 /nfs/dbraw/zinc/73/38/19/656733819.db2.gz UUHQUJNMSSCBAW-QMMMGPOBSA-N 1 2 281.320 -1.768 20 0 CAADLO CCN(C(=O)c1c[nH]c(=O)cn1)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001033935772 656734122 /nfs/dbraw/zinc/73/41/22/656734122.db2.gz KAIKYUJBHHQGHZ-SECBINFHSA-N 1 2 293.327 -1.208 20 0 CAADLO CCN(C(=O)c1c[nH]c(=O)cn1)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033935772 656734127 /nfs/dbraw/zinc/73/41/27/656734127.db2.gz KAIKYUJBHHQGHZ-SECBINFHSA-N 1 2 293.327 -1.208 20 0 CAADLO CCN(C(=O)[C@H]1CCNC1=O)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001033921101 656734968 /nfs/dbraw/zinc/73/49/68/656734968.db2.gz ANOYGKHORSTJTI-ZJUUUORDSA-N 1 2 282.344 -1.469 20 0 CAADLO CCN(C(=O)[C@H]1CCNC1=O)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033921101 656734974 /nfs/dbraw/zinc/73/49/74/656734974.db2.gz ANOYGKHORSTJTI-ZJUUUORDSA-N 1 2 282.344 -1.469 20 0 CAADLO CCN(C(=O)[C@H]1CNC(=O)N1)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001033939692 656735051 /nfs/dbraw/zinc/73/50/51/656735051.db2.gz ZPVCFFHKHOVDSQ-DTWKUNHWSA-N 1 2 283.332 -1.924 20 0 CAADLO CCN(C(=O)[C@H]1CNC(=O)N1)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033939692 656735059 /nfs/dbraw/zinc/73/50/59/656735059.db2.gz ZPVCFFHKHOVDSQ-DTWKUNHWSA-N 1 2 283.332 -1.924 20 0 CAADLO CCN(C(=O)[C@H]1CCN(C)C1=O)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001033930112 656735225 /nfs/dbraw/zinc/73/52/25/656735225.db2.gz SKSODTCEGGLQGD-QWRGUYRKSA-N 1 2 296.371 -1.127 20 0 CAADLO CCN(C(=O)[C@H]1CCN(C)C1=O)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033930112 656735230 /nfs/dbraw/zinc/73/52/30/656735230.db2.gz SKSODTCEGGLQGD-QWRGUYRKSA-N 1 2 296.371 -1.127 20 0 CAADLO Cn1nncc1C(=O)N[C@@H]1CCCC[N@H+](CC(N)=O)C1 ZINC001034194951 656737028 /nfs/dbraw/zinc/73/70/28/656737028.db2.gz QJFQMSIBUJOBQX-SECBINFHSA-N 1 2 280.332 -1.115 20 0 CAADLO Cn1nncc1C(=O)N[C@@H]1CCCC[N@@H+](CC(N)=O)C1 ZINC001034194951 656737038 /nfs/dbraw/zinc/73/70/38/656737038.db2.gz QJFQMSIBUJOBQX-SECBINFHSA-N 1 2 280.332 -1.115 20 0 CAADLO Cn1nncc1C(=O)N[C@H]1CCCC[N@H+](CC(N)=O)C1 ZINC001034194953 656738109 /nfs/dbraw/zinc/73/81/09/656738109.db2.gz QJFQMSIBUJOBQX-VIFPVBQESA-N 1 2 280.332 -1.115 20 0 CAADLO Cn1nncc1C(=O)N[C@H]1CCCC[N@@H+](CC(N)=O)C1 ZINC001034194953 656738116 /nfs/dbraw/zinc/73/81/16/656738116.db2.gz QJFQMSIBUJOBQX-VIFPVBQESA-N 1 2 280.332 -1.115 20 0 CAADLO Cn1cc(C(=O)N[C@H]2CCCC[N@H+](CC(N)=O)C2)nn1 ZINC001034196347 656738141 /nfs/dbraw/zinc/73/81/41/656738141.db2.gz ZFDUQZRGSFXTKD-VIFPVBQESA-N 1 2 280.332 -1.115 20 0 CAADLO Cn1cc(C(=O)N[C@H]2CCCC[N@@H+](CC(N)=O)C2)nn1 ZINC001034196347 656738146 /nfs/dbraw/zinc/73/81/46/656738146.db2.gz ZFDUQZRGSFXTKD-VIFPVBQESA-N 1 2 280.332 -1.115 20 0 CAADLO Cn1nnc(C(=O)N[C@@H]2CCCC[N@H+](CC(N)=O)C2)n1 ZINC001034348199 656741132 /nfs/dbraw/zinc/74/11/32/656741132.db2.gz CHFUMUAMKWTCNO-MRVPVSSYSA-N 1 2 281.320 -1.720 20 0 CAADLO Cn1nnc(C(=O)N[C@@H]2CCCC[N@@H+](CC(N)=O)C2)n1 ZINC001034348199 656741140 /nfs/dbraw/zinc/74/11/40/656741140.db2.gz CHFUMUAMKWTCNO-MRVPVSSYSA-N 1 2 281.320 -1.720 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CCCC[C@@H](NC(=O)C(N)=O)C1 ZINC001034371833 656741596 /nfs/dbraw/zinc/74/15/96/656741596.db2.gz GDBNMCMSZCEBBU-JGVFFNPUSA-N 1 2 256.306 -1.684 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CCCC[C@@H](NC(=O)C(N)=O)C1 ZINC001034371833 656741601 /nfs/dbraw/zinc/74/16/01/656741601.db2.gz GDBNMCMSZCEBBU-JGVFFNPUSA-N 1 2 256.306 -1.684 20 0 CAADLO NC(=O)C(=O)N[C@H]1CCCC[N@H+](CC(=O)NC2CC2)C1 ZINC001034373197 656743788 /nfs/dbraw/zinc/74/37/88/656743788.db2.gz SNKUKVLDPDIUBY-JTQLQIEISA-N 1 2 282.344 -1.279 20 0 CAADLO NC(=O)C(=O)N[C@H]1CCCC[N@@H+](CC(=O)NC2CC2)C1 ZINC001034373197 656743790 /nfs/dbraw/zinc/74/37/90/656743790.db2.gz SNKUKVLDPDIUBY-JTQLQIEISA-N 1 2 282.344 -1.279 20 0 CAADLO CNC(=O)C[N@@H+]1CCCC[C@H](NC(=O)C(N)=O)C1 ZINC001034372849 656744649 /nfs/dbraw/zinc/74/46/49/656744649.db2.gz PMOUIOHEJZTDFE-QMMMGPOBSA-N 1 2 256.306 -1.812 20 0 CAADLO CNC(=O)C[N@H+]1CCCC[C@H](NC(=O)C(N)=O)C1 ZINC001034372849 656744654 /nfs/dbraw/zinc/74/46/54/656744654.db2.gz PMOUIOHEJZTDFE-QMMMGPOBSA-N 1 2 256.306 -1.812 20 0 CAADLO NC(=O)C[N@@H+]1CCCC[C@@H](NC(=O)Cc2nc[nH]n2)C1 ZINC001034487486 656746161 /nfs/dbraw/zinc/74/61/61/656746161.db2.gz NYWGEYUBWPUVJP-SECBINFHSA-N 1 2 280.332 -1.197 20 0 CAADLO NC(=O)C[N@H+]1CCCC[C@@H](NC(=O)Cc2nc[nH]n2)C1 ZINC001034487486 656746171 /nfs/dbraw/zinc/74/61/71/656746171.db2.gz NYWGEYUBWPUVJP-SECBINFHSA-N 1 2 280.332 -1.197 20 0 CAADLO NC(=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)Cc1c[nH+]c[nH]1 ZINC001005667813 656749103 /nfs/dbraw/zinc/74/91/03/656749103.db2.gz HKOBOMMZSJXORI-BBBLOLIVSA-N 1 2 291.311 -1.314 20 0 CAADLO Cn1nnc(C[NH2+]C[C@H]2CCCN2C(=O)c2cn[nH]n2)n1 ZINC001034980835 656750735 /nfs/dbraw/zinc/75/07/35/656750735.db2.gz HIZTVPHJXMOERV-MRVPVSSYSA-N 1 2 291.319 -1.277 20 0 CAADLO C[C@@H](C(=O)N1CC[N@H+](C)C[C@@H]1CO)n1cncn1 ZINC000703856793 656751156 /nfs/dbraw/zinc/75/11/56/656751156.db2.gz WMVLFXWLTQUVOR-VHSXEESVSA-N 1 2 253.306 -1.026 20 0 CAADLO C[C@@H](C(=O)N1CC[N@@H+](C)C[C@@H]1CO)n1cncn1 ZINC000703856793 656751164 /nfs/dbraw/zinc/75/11/64/656751164.db2.gz WMVLFXWLTQUVOR-VHSXEESVSA-N 1 2 253.306 -1.026 20 0 CAADLO Cc1noc(C[NH2+]C[C@H]2CCCN2C(=O)C(N)=O)n1 ZINC001035032026 656752305 /nfs/dbraw/zinc/75/23/05/656752305.db2.gz KSYOCAXFRHOKMZ-MRVPVSSYSA-N 1 2 267.289 -1.056 20 0 CAADLO COCc1noc(C[NH2+]C[C@H]2CCCN2C(=O)C(N)=O)n1 ZINC001035032118 656753266 /nfs/dbraw/zinc/75/32/66/656753266.db2.gz LZLHOLZIYZWWHP-MRVPVSSYSA-N 1 2 297.315 -1.218 20 0 CAADLO COCC[N@@H+]1CCO[C@H](CNC(=O)[C@H]2COCCO2)C1 ZINC001035294150 656754901 /nfs/dbraw/zinc/75/49/01/656754901.db2.gz ITXLABGORUSXKC-VXGBXAGGSA-N 1 2 288.344 -1.135 20 0 CAADLO COCC[N@H+]1CCO[C@H](CNC(=O)[C@H]2COCCO2)C1 ZINC001035294150 656754908 /nfs/dbraw/zinc/75/49/08/656754908.db2.gz ITXLABGORUSXKC-VXGBXAGGSA-N 1 2 288.344 -1.135 20 0 CAADLO O=C(NC[C@H]1C[N@@H+](CCO)CCO1)[C@@H]1CCCO1 ZINC001035277188 656755644 /nfs/dbraw/zinc/75/56/44/656755644.db2.gz IMMBKLJIWGGCBR-QWRGUYRKSA-N 1 2 258.318 -1.025 20 0 CAADLO O=C(NC[C@H]1C[N@H+](CCO)CCO1)[C@@H]1CCCO1 ZINC001035277188 656755640 /nfs/dbraw/zinc/75/56/40/656755640.db2.gz IMMBKLJIWGGCBR-QWRGUYRKSA-N 1 2 258.318 -1.025 20 0 CAADLO O=C(NC[C@@H]1C[N@H+](CCO)CCO1)c1ccc(=O)[nH]n1 ZINC001035278326 656755650 /nfs/dbraw/zinc/75/56/50/656755650.db2.gz AKWLJJAFIDQXRB-SECBINFHSA-N 1 2 282.300 -1.395 20 0 CAADLO O=C(NC[C@@H]1C[N@@H+](CCO)CCO1)c1ccc(=O)[nH]n1 ZINC001035278326 656755655 /nfs/dbraw/zinc/75/56/55/656755655.db2.gz AKWLJJAFIDQXRB-SECBINFHSA-N 1 2 282.300 -1.395 20 0 CAADLO O=C(NC[C@@H]1C[N@H+](CCO)CCO1)[C@H]1CCCO1 ZINC001035277186 656755861 /nfs/dbraw/zinc/75/58/61/656755861.db2.gz IMMBKLJIWGGCBR-GHMZBOCLSA-N 1 2 258.318 -1.025 20 0 CAADLO O=C(NC[C@@H]1C[N@@H+](CCO)CCO1)[C@H]1CCCO1 ZINC001035277186 656755866 /nfs/dbraw/zinc/75/58/66/656755866.db2.gz IMMBKLJIWGGCBR-GHMZBOCLSA-N 1 2 258.318 -1.025 20 0 CAADLO O=C(NC[C@H]1C[N@H+](CCO)CCO1)[C@H]1CCCO1 ZINC001035277189 656756062 /nfs/dbraw/zinc/75/60/62/656756062.db2.gz IMMBKLJIWGGCBR-WDEREUQCSA-N 1 2 258.318 -1.025 20 0 CAADLO O=C(NC[C@H]1C[N@@H+](CCO)CCO1)[C@H]1CCCO1 ZINC001035277189 656756067 /nfs/dbraw/zinc/75/60/67/656756067.db2.gz IMMBKLJIWGGCBR-WDEREUQCSA-N 1 2 258.318 -1.025 20 0 CAADLO Nc1nccnc1C(=O)NC[C@@H]1C[N@H+](CCCO)CCO1 ZINC001035308850 656757477 /nfs/dbraw/zinc/75/74/77/656757477.db2.gz AVADSODIHNPCSK-SNVBAGLBSA-N 1 2 295.343 -1.128 20 0 CAADLO Nc1nccnc1C(=O)NC[C@@H]1C[N@@H+](CCCO)CCO1 ZINC001035308850 656757483 /nfs/dbraw/zinc/75/74/83/656757483.db2.gz AVADSODIHNPCSK-SNVBAGLBSA-N 1 2 295.343 -1.128 20 0 CAADLO O=C(NC[C@@H]1C[N@H+](CCO)CCO1)c1cnns1 ZINC001035308609 656757492 /nfs/dbraw/zinc/75/74/92/656757492.db2.gz DMFULOMNWRGHCC-MRVPVSSYSA-N 1 2 272.330 -1.039 20 0 CAADLO O=C(NC[C@@H]1C[N@@H+](CCO)CCO1)c1cnns1 ZINC001035308609 656757497 /nfs/dbraw/zinc/75/74/97/656757497.db2.gz DMFULOMNWRGHCC-MRVPVSSYSA-N 1 2 272.330 -1.039 20 0 CAADLO O=C(NC[C@@H]1C[N@H+](CCO)CCO1)c1cnsn1 ZINC001035306217 656757624 /nfs/dbraw/zinc/75/76/24/656757624.db2.gz PDZHQWNFLHXULI-MRVPVSSYSA-N 1 2 272.330 -1.039 20 0 CAADLO O=C(NC[C@@H]1C[N@@H+](CCO)CCO1)c1cnsn1 ZINC001035306217 656757626 /nfs/dbraw/zinc/75/76/26/656757626.db2.gz PDZHQWNFLHXULI-MRVPVSSYSA-N 1 2 272.330 -1.039 20 0 CAADLO O=C(NC[C@H]1C[N@H+](CCO)CCO1)c1cnsn1 ZINC001035306228 656757651 /nfs/dbraw/zinc/75/76/51/656757651.db2.gz PDZHQWNFLHXULI-QMMMGPOBSA-N 1 2 272.330 -1.039 20 0 CAADLO O=C(NC[C@H]1C[N@@H+](CCO)CCO1)c1cnsn1 ZINC001035306228 656757655 /nfs/dbraw/zinc/75/76/55/656757655.db2.gz PDZHQWNFLHXULI-QMMMGPOBSA-N 1 2 272.330 -1.039 20 0 CAADLO Cc1c(C(=O)NC[C@H]2C[N@H+](C[C@H](C)O)CCO2)nnn1C ZINC001035319203 656758075 /nfs/dbraw/zinc/75/80/75/656758075.db2.gz HFCAHBNPYAVNHL-ONGXEEELSA-N 1 2 297.359 -1.065 20 0 CAADLO Cc1c(C(=O)NC[C@H]2C[N@@H+](C[C@H](C)O)CCO2)nnn1C ZINC001035319203 656758079 /nfs/dbraw/zinc/75/80/79/656758079.db2.gz HFCAHBNPYAVNHL-ONGXEEELSA-N 1 2 297.359 -1.065 20 0 CAADLO Cc1c(C(=O)NC[C@@H]2C[N@H+](C[C@H](C)O)CCO2)nnn1C ZINC001035319200 656758457 /nfs/dbraw/zinc/75/84/57/656758457.db2.gz HFCAHBNPYAVNHL-GXSJLCMTSA-N 1 2 297.359 -1.065 20 0 CAADLO Cc1c(C(=O)NC[C@@H]2C[N@@H+](C[C@H](C)O)CCO2)nnn1C ZINC001035319200 656758463 /nfs/dbraw/zinc/75/84/63/656758463.db2.gz HFCAHBNPYAVNHL-GXSJLCMTSA-N 1 2 297.359 -1.065 20 0 CAADLO COCC[N@@H+]1CCO[C@H](CNC(=O)[C@H]2CCNC(=O)C2)C1 ZINC001035336816 656758708 /nfs/dbraw/zinc/75/87/08/656758708.db2.gz YCDUBSUZIUVOAK-NWDGAFQWSA-N 1 2 299.371 -1.024 20 0 CAADLO COCC[N@H+]1CCO[C@H](CNC(=O)[C@H]2CCNC(=O)C2)C1 ZINC001035336816 656758712 /nfs/dbraw/zinc/75/87/12/656758712.db2.gz YCDUBSUZIUVOAK-NWDGAFQWSA-N 1 2 299.371 -1.024 20 0 CAADLO C[C@H](O)C[N@@H+]1CCO[C@@H](CNC(=O)c2nccnc2N)C1 ZINC001035319805 656758739 /nfs/dbraw/zinc/75/87/39/656758739.db2.gz NAZOYURBVLSRBJ-UWVGGRQHSA-N 1 2 295.343 -1.130 20 0 CAADLO C[C@H](O)C[N@H+]1CCO[C@@H](CNC(=O)c2nccnc2N)C1 ZINC001035319805 656758743 /nfs/dbraw/zinc/75/87/43/656758743.db2.gz NAZOYURBVLSRBJ-UWVGGRQHSA-N 1 2 295.343 -1.130 20 0 CAADLO O=C(NC[C@H]1C[N@H+](CCO)CCO1)[C@H]1CCNC(=O)C1 ZINC001035336441 656758858 /nfs/dbraw/zinc/75/88/58/656758858.db2.gz WTRPCAPSLQMHHV-QWRGUYRKSA-N 1 2 285.344 -1.678 20 0 CAADLO O=C(NC[C@H]1C[N@@H+](CCO)CCO1)[C@H]1CCNC(=O)C1 ZINC001035336441 656758862 /nfs/dbraw/zinc/75/88/62/656758862.db2.gz WTRPCAPSLQMHHV-QWRGUYRKSA-N 1 2 285.344 -1.678 20 0 CAADLO Nc1nccnc1C(=O)NC[C@H]1C[N@H+](CCO)CCO1 ZINC001035321862 656758931 /nfs/dbraw/zinc/75/89/31/656758931.db2.gz ZMISKFIRWBCYNU-VIFPVBQESA-N 1 2 281.316 -1.518 20 0 CAADLO Nc1nccnc1C(=O)NC[C@H]1C[N@@H+](CCO)CCO1 ZINC001035321862 656758934 /nfs/dbraw/zinc/75/89/34/656758934.db2.gz ZMISKFIRWBCYNU-VIFPVBQESA-N 1 2 281.316 -1.518 20 0 CAADLO Cn1ncc(C(=O)NC[C@@H]2C[N@H+](CCO)CCO2)c1N ZINC001035342222 656759658 /nfs/dbraw/zinc/75/96/58/656759658.db2.gz BIVZHOXPBRPGMJ-SECBINFHSA-N 1 2 283.332 -1.575 20 0 CAADLO Cn1ncc(C(=O)NC[C@@H]2C[N@@H+](CCO)CCO2)c1N ZINC001035342222 656759667 /nfs/dbraw/zinc/75/96/67/656759667.db2.gz BIVZHOXPBRPGMJ-SECBINFHSA-N 1 2 283.332 -1.575 20 0 CAADLO COCC[N@@H+]1CCO[C@H](CNC(=O)c2cnnn2C)C1 ZINC001035351389 656759960 /nfs/dbraw/zinc/75/99/60/656759960.db2.gz CCGZVCQRVUZVNJ-SNVBAGLBSA-N 1 2 283.332 -1.108 20 0 CAADLO COCC[N@H+]1CCO[C@H](CNC(=O)c2cnnn2C)C1 ZINC001035351389 656759965 /nfs/dbraw/zinc/75/99/65/656759965.db2.gz CCGZVCQRVUZVNJ-SNVBAGLBSA-N 1 2 283.332 -1.108 20 0 CAADLO C[C@H]1CC(=O)N[C@@H](C(=O)NC[C@H]2C[N@H+](CCO)CCO2)C1 ZINC001035372914 656760002 /nfs/dbraw/zinc/76/00/02/656760002.db2.gz NULDBBGPLJLSRC-GRYCIOLGSA-N 1 2 299.371 -1.290 20 0 CAADLO C[C@H]1CC(=O)N[C@@H](C(=O)NC[C@H]2C[N@@H+](CCO)CCO2)C1 ZINC001035372914 656760005 /nfs/dbraw/zinc/76/00/05/656760005.db2.gz NULDBBGPLJLSRC-GRYCIOLGSA-N 1 2 299.371 -1.290 20 0 CAADLO CN1CCOC[C@H]1C(=O)NC[C@@H]1C[N@H+](CCO)CCO1 ZINC001035343120 656760067 /nfs/dbraw/zinc/76/00/67/656760067.db2.gz SLVAWXYUBLCROQ-NEPJUHHUSA-N 1 2 287.360 -1.874 20 0 CAADLO CN1CCOC[C@H]1C(=O)NC[C@@H]1C[N@@H+](CCO)CCO1 ZINC001035343120 656760072 /nfs/dbraw/zinc/76/00/72/656760072.db2.gz SLVAWXYUBLCROQ-NEPJUHHUSA-N 1 2 287.360 -1.874 20 0 CAADLO COCC[N@@H+]1CCO[C@@H](CNC(=O)c2cnnn2C)C1 ZINC001035351386 656760165 /nfs/dbraw/zinc/76/01/65/656760165.db2.gz CCGZVCQRVUZVNJ-JTQLQIEISA-N 1 2 283.332 -1.108 20 0 CAADLO COCC[N@H+]1CCO[C@@H](CNC(=O)c2cnnn2C)C1 ZINC001035351386 656760166 /nfs/dbraw/zinc/76/01/66/656760166.db2.gz CCGZVCQRVUZVNJ-JTQLQIEISA-N 1 2 283.332 -1.108 20 0 CAADLO CN1CCOC[C@@H]1C(=O)NC[C@@H]1C[N@H+](CCO)CCO1 ZINC001035343124 656760359 /nfs/dbraw/zinc/76/03/59/656760359.db2.gz SLVAWXYUBLCROQ-VXGBXAGGSA-N 1 2 287.360 -1.874 20 0 CAADLO CN1CCOC[C@@H]1C(=O)NC[C@@H]1C[N@@H+](CCO)CCO1 ZINC001035343124 656760364 /nfs/dbraw/zinc/76/03/64/656760364.db2.gz SLVAWXYUBLCROQ-VXGBXAGGSA-N 1 2 287.360 -1.874 20 0 CAADLO O=C(NC[C@@H]1C[N@H+](CCO)CCO1)c1cncnc1 ZINC001035346068 656760397 /nfs/dbraw/zinc/76/03/97/656760397.db2.gz DARAGODDWVYPKQ-LLVKDONJSA-N 1 2 266.301 -1.101 20 0 CAADLO O=C(NC[C@@H]1C[N@@H+](CCO)CCO1)c1cncnc1 ZINC001035346068 656760400 /nfs/dbraw/zinc/76/04/00/656760400.db2.gz DARAGODDWVYPKQ-LLVKDONJSA-N 1 2 266.301 -1.101 20 0 CAADLO COCC[N@@H+]1CCO[C@H](CNC(=O)[C@H]2COC(=O)N2)C1 ZINC001035356327 656761070 /nfs/dbraw/zinc/76/10/70/656761070.db2.gz QHBGJEMHEXUESQ-NXEZZACHSA-N 1 2 287.316 -1.442 20 0 CAADLO COCC[N@H+]1CCO[C@H](CNC(=O)[C@H]2COC(=O)N2)C1 ZINC001035356327 656761076 /nfs/dbraw/zinc/76/10/76/656761076.db2.gz QHBGJEMHEXUESQ-NXEZZACHSA-N 1 2 287.316 -1.442 20 0 CAADLO CCn1ncc(C(=O)NC[C@@H]2C[N@H+](CCO)CCO2)n1 ZINC001035358777 656761323 /nfs/dbraw/zinc/76/13/23/656761323.db2.gz SIXDEWRANDLDLK-SNVBAGLBSA-N 1 2 283.332 -1.279 20 0 CAADLO CCn1ncc(C(=O)NC[C@@H]2C[N@@H+](CCO)CCO2)n1 ZINC001035358777 656761325 /nfs/dbraw/zinc/76/13/25/656761325.db2.gz SIXDEWRANDLDLK-SNVBAGLBSA-N 1 2 283.332 -1.279 20 0 CAADLO CC(=O)N1CC(C(=O)NC[C@@H]2C[N@H+](CCO)CCO2)C1 ZINC001035351759 656761412 /nfs/dbraw/zinc/76/14/12/656761412.db2.gz BVNUDGRHEUSITE-GFCCVEGCSA-N 1 2 285.344 -1.726 20 0 CAADLO CC(=O)N1CC(C(=O)NC[C@@H]2C[N@@H+](CCO)CCO2)C1 ZINC001035351759 656761417 /nfs/dbraw/zinc/76/14/17/656761417.db2.gz BVNUDGRHEUSITE-GFCCVEGCSA-N 1 2 285.344 -1.726 20 0 CAADLO COCC[N@@H+]1CCO[C@@H](CNC(=O)c2cn(C)nn2)C1 ZINC001035363168 656762087 /nfs/dbraw/zinc/76/20/87/656762087.db2.gz SETGHVRLKQIETQ-JTQLQIEISA-N 1 2 283.332 -1.108 20 0 CAADLO COCC[N@H+]1CCO[C@@H](CNC(=O)c2cn(C)nn2)C1 ZINC001035363168 656762091 /nfs/dbraw/zinc/76/20/91/656762091.db2.gz SETGHVRLKQIETQ-JTQLQIEISA-N 1 2 283.332 -1.108 20 0 CAADLO C[C@@H](O)C[N@@H+]1CCO[C@@H](CNC(=O)c2ncn(C)n2)C1 ZINC001035363541 656762135 /nfs/dbraw/zinc/76/21/35/656762135.db2.gz TWLDKYAMMIDLPS-ZJUUUORDSA-N 1 2 283.332 -1.374 20 0 CAADLO C[C@@H](O)C[N@H+]1CCO[C@@H](CNC(=O)c2ncn(C)n2)C1 ZINC001035363541 656762139 /nfs/dbraw/zinc/76/21/39/656762139.db2.gz TWLDKYAMMIDLPS-ZJUUUORDSA-N 1 2 283.332 -1.374 20 0 CAADLO O=C(NC[C@H]1C[N@H+](CCO)CCO1)[C@]12C[C@H]1COC2 ZINC001035380120 656762167 /nfs/dbraw/zinc/76/21/67/656762167.db2.gz USJSNFWFXKXWED-GVXVVHGQSA-N 1 2 270.329 -1.168 20 0 CAADLO O=C(NC[C@H]1C[N@@H+](CCO)CCO1)[C@]12C[C@H]1COC2 ZINC001035380120 656762171 /nfs/dbraw/zinc/76/21/71/656762171.db2.gz USJSNFWFXKXWED-GVXVVHGQSA-N 1 2 270.329 -1.168 20 0 CAADLO O=C(NC[C@H]1C[N@H+](CCO)CCO1)c1cc2n(n1)CCO2 ZINC001035398708 656762204 /nfs/dbraw/zinc/76/22/04/656762204.db2.gz NPPLAFYRCPVJHF-JTQLQIEISA-N 1 2 296.327 -1.302 20 0 CAADLO O=C(NC[C@H]1C[N@@H+](CCO)CCO1)c1cc2n(n1)CCO2 ZINC001035398708 656762208 /nfs/dbraw/zinc/76/22/08/656762208.db2.gz NPPLAFYRCPVJHF-JTQLQIEISA-N 1 2 296.327 -1.302 20 0 CAADLO Cn1cnc(C(=O)NC[C@@H]2C[N@H+](CCO)CCO2)cc1=O ZINC001035400210 656762305 /nfs/dbraw/zinc/76/23/05/656762305.db2.gz MIOVEGPMXAJGAK-SNVBAGLBSA-N 1 2 296.327 -1.797 20 0 CAADLO Cn1cnc(C(=O)NC[C@@H]2C[N@@H+](CCO)CCO2)cc1=O ZINC001035400210 656762313 /nfs/dbraw/zinc/76/23/13/656762313.db2.gz MIOVEGPMXAJGAK-SNVBAGLBSA-N 1 2 296.327 -1.797 20 0 CAADLO CCN1C[C@H](C(=O)NC[C@H]2C[N@H+](CCO)CCO2)CC1=O ZINC001035391415 656762548 /nfs/dbraw/zinc/76/25/48/656762548.db2.gz OSFDHANIMJTFFT-NEPJUHHUSA-N 1 2 299.371 -1.336 20 0 CAADLO CCN1C[C@H](C(=O)NC[C@H]2C[N@@H+](CCO)CCO2)CC1=O ZINC001035391415 656762556 /nfs/dbraw/zinc/76/25/56/656762556.db2.gz OSFDHANIMJTFFT-NEPJUHHUSA-N 1 2 299.371 -1.336 20 0 CAADLO Cn1cc(C(=O)NC[C@@H]2C[N@H+](CCCO)CCO2)nn1 ZINC001035364737 656762688 /nfs/dbraw/zinc/76/26/88/656762688.db2.gz ZVTYKULSMGVTLW-SNVBAGLBSA-N 1 2 283.332 -1.372 20 0 CAADLO Cn1cc(C(=O)NC[C@@H]2C[N@@H+](CCCO)CCO2)nn1 ZINC001035364737 656762691 /nfs/dbraw/zinc/76/26/91/656762691.db2.gz ZVTYKULSMGVTLW-SNVBAGLBSA-N 1 2 283.332 -1.372 20 0 CAADLO CCN1C[C@H](C(=O)NC[C@@H]2C[N@H+](CCO)CCO2)CC1=O ZINC001035391418 656762741 /nfs/dbraw/zinc/76/27/41/656762741.db2.gz OSFDHANIMJTFFT-VXGBXAGGSA-N 1 2 299.371 -1.336 20 0 CAADLO CCN1C[C@H](C(=O)NC[C@@H]2C[N@@H+](CCO)CCO2)CC1=O ZINC001035391418 656762745 /nfs/dbraw/zinc/76/27/45/656762745.db2.gz OSFDHANIMJTFFT-VXGBXAGGSA-N 1 2 299.371 -1.336 20 0 CAADLO Cn1cnc(C(=O)NC[C@H]2C[N@H+](CCO)CCO2)cc1=O ZINC001035400208 656762793 /nfs/dbraw/zinc/76/27/93/656762793.db2.gz MIOVEGPMXAJGAK-JTQLQIEISA-N 1 2 296.327 -1.797 20 0 CAADLO Cn1cnc(C(=O)NC[C@H]2C[N@@H+](CCO)CCO2)cc1=O ZINC001035400208 656762796 /nfs/dbraw/zinc/76/27/96/656762796.db2.gz MIOVEGPMXAJGAK-JTQLQIEISA-N 1 2 296.327 -1.797 20 0 CAADLO O=C(NC[C@@H]1C[N@H+](CCO)CCO1)[C@H]1CCCC(=O)N1 ZINC001035403778 656763397 /nfs/dbraw/zinc/76/33/97/656763397.db2.gz ADLDSAPUWAATSA-GHMZBOCLSA-N 1 2 285.344 -1.536 20 0 CAADLO O=C(NC[C@@H]1C[N@@H+](CCO)CCO1)[C@H]1CCCC(=O)N1 ZINC001035403778 656763401 /nfs/dbraw/zinc/76/34/01/656763401.db2.gz ADLDSAPUWAATSA-GHMZBOCLSA-N 1 2 285.344 -1.536 20 0 CAADLO COCC[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCC(=O)NC2)C1 ZINC001035422667 656763443 /nfs/dbraw/zinc/76/34/43/656763443.db2.gz DRFYYUUPVWSJED-NEPJUHHUSA-N 1 2 299.371 -1.024 20 0 CAADLO COCC[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCC(=O)NC2)C1 ZINC001035422667 656763449 /nfs/dbraw/zinc/76/34/49/656763449.db2.gz DRFYYUUPVWSJED-NEPJUHHUSA-N 1 2 299.371 -1.024 20 0 CAADLO O=C(NC[C@H]1C[N@H+](CCO)CCO1)[C@H]1CCC(=O)NC1 ZINC001035422710 656763633 /nfs/dbraw/zinc/76/36/33/656763633.db2.gz FHQCWQORPQYPMB-QWRGUYRKSA-N 1 2 285.344 -1.678 20 0 CAADLO O=C(NC[C@H]1C[N@@H+](CCO)CCO1)[C@H]1CCC(=O)NC1 ZINC001035422710 656763647 /nfs/dbraw/zinc/76/36/47/656763647.db2.gz FHQCWQORPQYPMB-QWRGUYRKSA-N 1 2 285.344 -1.678 20 0 CAADLO Cn1cc(C(=O)NC[C@@H]2C[N@H+](CCO)CCO2)ccc1=O ZINC001035427477 656763893 /nfs/dbraw/zinc/76/38/93/656763893.db2.gz JPHPBCIMAZNGHN-GFCCVEGCSA-N 1 2 295.339 -1.192 20 0 CAADLO Cn1cc(C(=O)NC[C@@H]2C[N@@H+](CCO)CCO2)ccc1=O ZINC001035427477 656763897 /nfs/dbraw/zinc/76/38/97/656763897.db2.gz JPHPBCIMAZNGHN-GFCCVEGCSA-N 1 2 295.339 -1.192 20 0 CAADLO Cn1ccc(C(=O)NC[C@H]2C[N@H+](CCO)CCO2)cc1=O ZINC001035420861 656763987 /nfs/dbraw/zinc/76/39/87/656763987.db2.gz SFAJPANCWKSVNV-LBPRGKRZSA-N 1 2 295.339 -1.192 20 0 CAADLO Cn1ccc(C(=O)NC[C@H]2C[N@@H+](CCO)CCO2)cc1=O ZINC001035420861 656763993 /nfs/dbraw/zinc/76/39/93/656763993.db2.gz SFAJPANCWKSVNV-LBPRGKRZSA-N 1 2 295.339 -1.192 20 0 CAADLO O=C(NC[C@@H]1C[N@H+](CCO)CCO1)[C@@H]1CCC(=O)NC1 ZINC001035422707 656764006 /nfs/dbraw/zinc/76/40/06/656764006.db2.gz FHQCWQORPQYPMB-GHMZBOCLSA-N 1 2 285.344 -1.678 20 0 CAADLO O=C(NC[C@@H]1C[N@@H+](CCO)CCO1)[C@@H]1CCC(=O)NC1 ZINC001035422707 656764014 /nfs/dbraw/zinc/76/40/14/656764014.db2.gz FHQCWQORPQYPMB-GHMZBOCLSA-N 1 2 285.344 -1.678 20 0 CAADLO C[C@@H]1OCCO[C@@H]1C(=O)NC[C@@H]1C[N@H+](CCO)CCO1 ZINC001035404866 656764312 /nfs/dbraw/zinc/76/43/12/656764312.db2.gz QYONWTBCEZDLMH-TUAOUCFPSA-N 1 2 288.344 -1.400 20 0 CAADLO C[C@@H]1OCCO[C@@H]1C(=O)NC[C@@H]1C[N@@H+](CCO)CCO1 ZINC001035404866 656764316 /nfs/dbraw/zinc/76/43/16/656764316.db2.gz QYONWTBCEZDLMH-TUAOUCFPSA-N 1 2 288.344 -1.400 20 0 CAADLO COCC[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CCC(=O)NC2)C1 ZINC001035422671 656764576 /nfs/dbraw/zinc/76/45/76/656764576.db2.gz DRFYYUUPVWSJED-VXGBXAGGSA-N 1 2 299.371 -1.024 20 0 CAADLO COCC[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CCC(=O)NC2)C1 ZINC001035422671 656764581 /nfs/dbraw/zinc/76/45/81/656764581.db2.gz DRFYYUUPVWSJED-VXGBXAGGSA-N 1 2 299.371 -1.024 20 0 CAADLO Cn1ccc(C(=O)NC[C@@H]2C[N@H+](CCO)CCO2)cc1=O ZINC001035420860 656764705 /nfs/dbraw/zinc/76/47/05/656764705.db2.gz SFAJPANCWKSVNV-GFCCVEGCSA-N 1 2 295.339 -1.192 20 0 CAADLO Cn1ccc(C(=O)NC[C@@H]2C[N@@H+](CCO)CCO2)cc1=O ZINC001035420860 656764709 /nfs/dbraw/zinc/76/47/09/656764709.db2.gz SFAJPANCWKSVNV-GFCCVEGCSA-N 1 2 295.339 -1.192 20 0 CAADLO O=C(NC[C@@H]1C[N@H+](CCO)CCO1)c1cnc[nH]c1=O ZINC001035410806 656764725 /nfs/dbraw/zinc/76/47/25/656764725.db2.gz FKVZRPXNQGMNBK-SECBINFHSA-N 1 2 282.300 -1.395 20 0 CAADLO O=C(NC[C@@H]1C[N@@H+](CCO)CCO1)c1cnc[nH]c1=O ZINC001035410806 656764730 /nfs/dbraw/zinc/76/47/30/656764730.db2.gz FKVZRPXNQGMNBK-SECBINFHSA-N 1 2 282.300 -1.395 20 0 CAADLO COc1cc(C(=O)NC[C@@H]2C[N@H+](CCO)CCO2)nn1C ZINC001035438130 656765693 /nfs/dbraw/zinc/76/56/93/656765693.db2.gz KAFQEGUIWKNELS-SNVBAGLBSA-N 1 2 298.343 -1.148 20 0 CAADLO COc1cc(C(=O)NC[C@@H]2C[N@@H+](CCO)CCO2)nn1C ZINC001035438130 656765699 /nfs/dbraw/zinc/76/56/99/656765699.db2.gz KAFQEGUIWKNELS-SNVBAGLBSA-N 1 2 298.343 -1.148 20 0 CAADLO COCC[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCNC2=O)C1 ZINC001035470760 656765750 /nfs/dbraw/zinc/76/57/50/656765750.db2.gz OXWKAASOVLPVFL-WDEREUQCSA-N 1 2 285.344 -1.414 20 0 CAADLO COCC[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCNC2=O)C1 ZINC001035470760 656765761 /nfs/dbraw/zinc/76/57/61/656765761.db2.gz OXWKAASOVLPVFL-WDEREUQCSA-N 1 2 285.344 -1.414 20 0 CAADLO O=C(NC[C@@H]1C[N@H+](CCCO)CCO1)c1cn[nH]n1 ZINC001035430379 656765810 /nfs/dbraw/zinc/76/58/10/656765810.db2.gz OOUMITFEDXDMHH-SECBINFHSA-N 1 2 269.305 -1.382 20 0 CAADLO O=C(NC[C@@H]1C[N@@H+](CCCO)CCO1)c1cn[nH]n1 ZINC001035430379 656765816 /nfs/dbraw/zinc/76/58/16/656765816.db2.gz OOUMITFEDXDMHH-SECBINFHSA-N 1 2 269.305 -1.382 20 0 CAADLO COCC[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CCNC2=O)C1 ZINC001035470756 656765840 /nfs/dbraw/zinc/76/58/40/656765840.db2.gz OXWKAASOVLPVFL-GHMZBOCLSA-N 1 2 285.344 -1.414 20 0 CAADLO COCC[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CCNC2=O)C1 ZINC001035470756 656765844 /nfs/dbraw/zinc/76/58/44/656765844.db2.gz OXWKAASOVLPVFL-GHMZBOCLSA-N 1 2 285.344 -1.414 20 0 CAADLO C[C@H](O)C[N@@H+]1CCO[C@@H](CNC(=O)c2cn[nH]n2)C1 ZINC001035431877 656766182 /nfs/dbraw/zinc/76/61/82/656766182.db2.gz WFGXJCQXCQJJHE-IUCAKERBSA-N 1 2 269.305 -1.384 20 0 CAADLO C[C@H](O)C[N@H+]1CCO[C@@H](CNC(=O)c2cn[nH]n2)C1 ZINC001035431877 656766196 /nfs/dbraw/zinc/76/61/96/656766196.db2.gz WFGXJCQXCQJJHE-IUCAKERBSA-N 1 2 269.305 -1.384 20 0 CAADLO Cn1cncc1C(=O)NC[C@@H]1C[N@H+](CCO)CCO1 ZINC001035431613 656766426 /nfs/dbraw/zinc/76/64/26/656766426.db2.gz ONMGSMMKAJXIMD-SNVBAGLBSA-N 1 2 268.317 -1.157 20 0 CAADLO Cn1cncc1C(=O)NC[C@@H]1C[N@@H+](CCO)CCO1 ZINC001035431613 656766436 /nfs/dbraw/zinc/76/64/36/656766436.db2.gz ONMGSMMKAJXIMD-SNVBAGLBSA-N 1 2 268.317 -1.157 20 0 CAADLO COCC[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2CCNC2=O)C1 ZINC001035470759 656766453 /nfs/dbraw/zinc/76/64/53/656766453.db2.gz OXWKAASOVLPVFL-QWRGUYRKSA-N 1 2 285.344 -1.414 20 0 CAADLO COCC[N@H+]1CCO[C@@H](CNC(=O)[C@H]2CCNC2=O)C1 ZINC001035470759 656766458 /nfs/dbraw/zinc/76/64/58/656766458.db2.gz OXWKAASOVLPVFL-QWRGUYRKSA-N 1 2 285.344 -1.414 20 0 CAADLO Cn1c(=O)[nH]cc1C(=O)NC[C@@H]1C[N@H+](CCO)CCO1 ZINC001035472060 656766727 /nfs/dbraw/zinc/76/67/27/656766727.db2.gz YVUUEYFBGOWDQF-SECBINFHSA-N 1 2 284.316 -1.451 20 0 CAADLO Cn1c(=O)[nH]cc1C(=O)NC[C@@H]1C[N@@H+](CCO)CCO1 ZINC001035472060 656766730 /nfs/dbraw/zinc/76/67/30/656766730.db2.gz YVUUEYFBGOWDQF-SECBINFHSA-N 1 2 284.316 -1.451 20 0 CAADLO COc1cnc(C(=O)NC[C@@H]2C[N@H+](CCO)CCO2)nc1 ZINC001035438430 656767102 /nfs/dbraw/zinc/76/71/02/656767102.db2.gz MEFSRMLLRMWHBA-LLVKDONJSA-N 1 2 296.327 -1.092 20 0 CAADLO COc1cnc(C(=O)NC[C@@H]2C[N@@H+](CCO)CCO2)nc1 ZINC001035438430 656767108 /nfs/dbraw/zinc/76/71/08/656767108.db2.gz MEFSRMLLRMWHBA-LLVKDONJSA-N 1 2 296.327 -1.092 20 0 CAADLO COCC[N@@H+]1CCO[C@H](CNC(=O)[C@H]2CCNC2=O)C1 ZINC001035470757 656767190 /nfs/dbraw/zinc/76/71/90/656767190.db2.gz OXWKAASOVLPVFL-MNOVXSKESA-N 1 2 285.344 -1.414 20 0 CAADLO COCC[N@H+]1CCO[C@H](CNC(=O)[C@H]2CCNC2=O)C1 ZINC001035470757 656767196 /nfs/dbraw/zinc/76/71/96/656767196.db2.gz OXWKAASOVLPVFL-MNOVXSKESA-N 1 2 285.344 -1.414 20 0 CAADLO COCC[N@@H+]1CCO[C@H](CNC(=O)[C@H]2CCN(C)C2=O)C1 ZINC001035475016 656767877 /nfs/dbraw/zinc/76/78/77/656767877.db2.gz AFJROHFTVNXYIK-VXGBXAGGSA-N 1 2 299.371 -1.072 20 0 CAADLO COCC[N@H+]1CCO[C@H](CNC(=O)[C@H]2CCN(C)C2=O)C1 ZINC001035475016 656767879 /nfs/dbraw/zinc/76/78/79/656767879.db2.gz AFJROHFTVNXYIK-VXGBXAGGSA-N 1 2 299.371 -1.072 20 0 CAADLO C[C@@H](O)C[N@@H+]1CCO[C@H](CNC(=O)c2nnn(C)n2)C1 ZINC001035475570 656768028 /nfs/dbraw/zinc/76/80/28/656768028.db2.gz QQFVMNKMPPNYFP-RKDXNWHRSA-N 1 2 284.320 -1.979 20 0 CAADLO C[C@@H](O)C[N@H+]1CCO[C@H](CNC(=O)c2nnn(C)n2)C1 ZINC001035475570 656768034 /nfs/dbraw/zinc/76/80/34/656768034.db2.gz QQFVMNKMPPNYFP-RKDXNWHRSA-N 1 2 284.320 -1.979 20 0 CAADLO COCC[N@@H+]1CCO[C@H](CNC(=O)c2nnn(C)n2)C1 ZINC001035475148 656768267 /nfs/dbraw/zinc/76/82/67/656768267.db2.gz MZJQPMHRFFLBBH-SECBINFHSA-N 1 2 284.320 -1.713 20 0 CAADLO COCC[N@H+]1CCO[C@H](CNC(=O)c2nnn(C)n2)C1 ZINC001035475148 656768273 /nfs/dbraw/zinc/76/82/73/656768273.db2.gz MZJQPMHRFFLBBH-SECBINFHSA-N 1 2 284.320 -1.713 20 0 CAADLO O=C(NC[C@H]1C[N@H+](CCO)CCO1)c1c[nH]c(=O)cn1 ZINC001035490299 656769485 /nfs/dbraw/zinc/76/94/85/656769485.db2.gz PJCDRQFQDZQUPP-VIFPVBQESA-N 1 2 282.300 -1.807 20 0 CAADLO O=C(NC[C@H]1C[N@@H+](CCO)CCO1)c1c[nH]c(=O)cn1 ZINC001035490299 656769493 /nfs/dbraw/zinc/76/94/93/656769493.db2.gz PJCDRQFQDZQUPP-VIFPVBQESA-N 1 2 282.300 -1.807 20 0 CAADLO CN1C(=O)CC[C@H]1C(=O)NC[C@H]1C[N@H+](CCO)CCO1 ZINC001035479546 656769612 /nfs/dbraw/zinc/76/96/12/656769612.db2.gz RWYSJPKNQBGLJR-QWRGUYRKSA-N 1 2 285.344 -1.584 20 0 CAADLO CN1C(=O)CC[C@H]1C(=O)NC[C@H]1C[N@@H+](CCO)CCO1 ZINC001035479546 656769621 /nfs/dbraw/zinc/76/96/21/656769621.db2.gz RWYSJPKNQBGLJR-QWRGUYRKSA-N 1 2 285.344 -1.584 20 0 CAADLO CN1C(=O)CC[C@@H]1C(=O)NC[C@H]1C[N@H+](CCO)CCO1 ZINC001035478764 656769994 /nfs/dbraw/zinc/76/99/94/656769994.db2.gz RWYSJPKNQBGLJR-WDEREUQCSA-N 1 2 285.344 -1.584 20 0 CAADLO CN1C(=O)CC[C@@H]1C(=O)NC[C@H]1C[N@@H+](CCO)CCO1 ZINC001035478764 656769996 /nfs/dbraw/zinc/76/99/96/656769996.db2.gz RWYSJPKNQBGLJR-WDEREUQCSA-N 1 2 285.344 -1.584 20 0 CAADLO CN1C(=O)CC[C@H]1C(=O)NC[C@@H]1C[N@H+](CCO)CCO1 ZINC001035479543 656770040 /nfs/dbraw/zinc/77/00/40/656770040.db2.gz RWYSJPKNQBGLJR-MNOVXSKESA-N 1 2 285.344 -1.584 20 0 CAADLO CN1C(=O)CC[C@H]1C(=O)NC[C@@H]1C[N@@H+](CCO)CCO1 ZINC001035479543 656770042 /nfs/dbraw/zinc/77/00/42/656770042.db2.gz RWYSJPKNQBGLJR-MNOVXSKESA-N 1 2 285.344 -1.584 20 0 CAADLO COCC[N@@H+]1CCO[C@H](CNC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001035507044 656771201 /nfs/dbraw/zinc/77/12/01/656771201.db2.gz AMVNIDHOQZTQOV-MXWKQRLJSA-N 1 2 285.344 -1.429 20 0 CAADLO COCC[N@H+]1CCO[C@H](CNC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001035507044 656771206 /nfs/dbraw/zinc/77/12/06/656771206.db2.gz AMVNIDHOQZTQOV-MXWKQRLJSA-N 1 2 285.344 -1.429 20 0 CAADLO NC(=O)[C@@H]1C[C@@H]1C(=O)NC[C@@H]1C[N@H+](CCO)CCO1 ZINC001035510286 656771406 /nfs/dbraw/zinc/77/14/06/656771406.db2.gz KWIOAJKQJAOVCJ-BBBLOLIVSA-N 1 2 271.317 -2.083 20 0 CAADLO NC(=O)[C@@H]1C[C@@H]1C(=O)NC[C@@H]1C[N@@H+](CCO)CCO1 ZINC001035510286 656771410 /nfs/dbraw/zinc/77/14/10/656771410.db2.gz KWIOAJKQJAOVCJ-BBBLOLIVSA-N 1 2 271.317 -2.083 20 0 CAADLO NC(=O)c1ccc(C(=O)NC[C@H]2C[N@H+](CCO)CCO2)[nH]1 ZINC001035509901 656772463 /nfs/dbraw/zinc/77/24/63/656772463.db2.gz HTODYFOVDLBRCZ-VIFPVBQESA-N 1 2 296.327 -1.464 20 0 CAADLO NC(=O)c1ccc(C(=O)NC[C@H]2C[N@@H+](CCO)CCO2)[nH]1 ZINC001035509901 656772468 /nfs/dbraw/zinc/77/24/68/656772468.db2.gz HTODYFOVDLBRCZ-VIFPVBQESA-N 1 2 296.327 -1.464 20 0 CAADLO O=C(NC[C@@H]1C[N@H+](CCO)CCO1)[C@H]1CCCCC(=O)N1 ZINC001035511263 656772485 /nfs/dbraw/zinc/77/24/85/656772485.db2.gz JWQLSTNZAZYZPX-VXGBXAGGSA-N 1 2 299.371 -1.146 20 0 CAADLO O=C(NC[C@@H]1C[N@@H+](CCO)CCO1)[C@H]1CCCCC(=O)N1 ZINC001035511263 656772493 /nfs/dbraw/zinc/77/24/93/656772493.db2.gz JWQLSTNZAZYZPX-VXGBXAGGSA-N 1 2 299.371 -1.146 20 0 CAADLO COCC[N@@H+]1CCO[C@@H](CNC(=O)c2c[nH]c(=O)cn2)C1 ZINC001035491764 656773063 /nfs/dbraw/zinc/77/30/63/656773063.db2.gz YZCXWCBSSLQPEZ-JTQLQIEISA-N 1 2 296.327 -1.153 20 0 CAADLO COCC[N@H+]1CCO[C@@H](CNC(=O)c2c[nH]c(=O)cn2)C1 ZINC001035491764 656773068 /nfs/dbraw/zinc/77/30/68/656773068.db2.gz YZCXWCBSSLQPEZ-JTQLQIEISA-N 1 2 296.327 -1.153 20 0 CAADLO C[C@@H](C(=O)N1CCNC(=O)C1(C)C)N1CC[NH2+]CC1=O ZINC000705710194 656773306 /nfs/dbraw/zinc/77/33/06/656773306.db2.gz HNUJGDIUDUEUQT-VIFPVBQESA-N 1 2 282.344 -1.456 20 0 CAADLO CCN(CC(=O)NC)C(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000705723789 656773476 /nfs/dbraw/zinc/77/34/76/656773476.db2.gz YOIYZZCPPFKULJ-VIFPVBQESA-N 1 2 270.333 -1.599 20 0 CAADLO Cn1cc(C(=O)NC[C@H]2C[N@H+](CCO)CCO2)[nH]c1=O ZINC001035492089 656773963 /nfs/dbraw/zinc/77/39/63/656773963.db2.gz IVPISKDQGUSGNZ-VIFPVBQESA-N 1 2 284.316 -1.451 20 0 CAADLO Cn1cc(C(=O)NC[C@H]2C[N@@H+](CCO)CCO2)[nH]c1=O ZINC001035492089 656773965 /nfs/dbraw/zinc/77/39/65/656773965.db2.gz IVPISKDQGUSGNZ-VIFPVBQESA-N 1 2 284.316 -1.451 20 0 CAADLO CCN(CC)C(=O)CNC(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000705723766 656773974 /nfs/dbraw/zinc/77/39/74/656773974.db2.gz COQREOHPTVQRIZ-JTQLQIEISA-N 1 2 284.360 -1.209 20 0 CAADLO NC(=O)[C@@H]1CC[C@H](C(=O)NC[C@H]2C[N@H+](CCO)CCO2)C1 ZINC001035513003 656774186 /nfs/dbraw/zinc/77/41/86/656774186.db2.gz COVLIYWHZDGOBP-WOPDTQHZSA-N 1 2 299.371 -1.303 20 0 CAADLO NC(=O)[C@@H]1CC[C@H](C(=O)NC[C@H]2C[N@@H+](CCO)CCO2)C1 ZINC001035513003 656774191 /nfs/dbraw/zinc/77/41/91/656774191.db2.gz COVLIYWHZDGOBP-WOPDTQHZSA-N 1 2 299.371 -1.303 20 0 CAADLO O=C(NC[C@@H]1C[N@H+](CCO)CCO1)c1ccnnc1 ZINC001035533380 656774822 /nfs/dbraw/zinc/77/48/22/656774822.db2.gz OELTVBYSOWKMGO-LLVKDONJSA-N 1 2 266.301 -1.101 20 0 CAADLO O=C(NC[C@@H]1C[N@@H+](CCO)CCO1)c1ccnnc1 ZINC001035533380 656774827 /nfs/dbraw/zinc/77/48/27/656774827.db2.gz OELTVBYSOWKMGO-LLVKDONJSA-N 1 2 266.301 -1.101 20 0 CAADLO C[C@@H](O)C[N@@H+]1CCO[C@H](CNC(=O)c2cnn(C)n2)C1 ZINC001035548607 656775053 /nfs/dbraw/zinc/77/50/53/656775053.db2.gz DYTWYXPTVCBOJV-NXEZZACHSA-N 1 2 283.332 -1.374 20 0 CAADLO C[C@@H](O)C[N@H+]1CCO[C@H](CNC(=O)c2cnn(C)n2)C1 ZINC001035548607 656775058 /nfs/dbraw/zinc/77/50/58/656775058.db2.gz DYTWYXPTVCBOJV-NXEZZACHSA-N 1 2 283.332 -1.374 20 0 CAADLO C[C@@H](C(=O)N(C)CCS(C)(=O)=O)N1CC[NH2+]CC1=O ZINC000705770963 656775109 /nfs/dbraw/zinc/77/51/09/656775109.db2.gz ZTCONTVBYKVJOD-VIFPVBQESA-N 1 2 291.373 -1.690 20 0 CAADLO C[C@H](C(=O)N(C)CCS(C)(=O)=O)N1CC[NH2+]CC1=O ZINC000705770961 656775983 /nfs/dbraw/zinc/77/59/83/656775983.db2.gz ZTCONTVBYKVJOD-SECBINFHSA-N 1 2 291.373 -1.690 20 0 CAADLO C[C@H](C(=O)NCCS(C)(=O)=O)N1CC[NH2+]CC1=O ZINC000705776722 656776109 /nfs/dbraw/zinc/77/61/09/656776109.db2.gz ANASVNJRVOFXJX-MRVPVSSYSA-N 1 2 277.346 -2.033 20 0 CAADLO O=C(NC[C@@H]1C[N@H+](CCCO)CCO1)c1nnc[nH]1 ZINC001035555577 656776821 /nfs/dbraw/zinc/77/68/21/656776821.db2.gz MQMCPCWTHDVZEU-SECBINFHSA-N 1 2 269.305 -1.382 20 0 CAADLO O=C(NC[C@@H]1C[N@@H+](CCCO)CCO1)c1nnc[nH]1 ZINC001035555577 656776826 /nfs/dbraw/zinc/77/68/26/656776826.db2.gz MQMCPCWTHDVZEU-SECBINFHSA-N 1 2 269.305 -1.382 20 0 CAADLO NC(=O)c1c[nH]c(C(=O)NC[C@H]2C[N@H+](CCO)CCO2)c1 ZINC001035556939 656776864 /nfs/dbraw/zinc/77/68/64/656776864.db2.gz BSLUDDWRVSCLGG-JTQLQIEISA-N 1 2 296.327 -1.464 20 0 CAADLO NC(=O)c1c[nH]c(C(=O)NC[C@H]2C[N@@H+](CCO)CCO2)c1 ZINC001035556939 656776870 /nfs/dbraw/zinc/77/68/70/656776870.db2.gz BSLUDDWRVSCLGG-JTQLQIEISA-N 1 2 296.327 -1.464 20 0 CAADLO C[C@H](O)C[N@@H+]1CCO[C@H](CNC(=O)c2cnon2)C1 ZINC001035552165 656776889 /nfs/dbraw/zinc/77/68/89/656776889.db2.gz NSAUXMJOWALXBN-DTWKUNHWSA-N 1 2 270.289 -1.119 20 0 CAADLO C[C@H](O)C[N@H+]1CCO[C@H](CNC(=O)c2cnon2)C1 ZINC001035552165 656776896 /nfs/dbraw/zinc/77/68/96/656776896.db2.gz NSAUXMJOWALXBN-DTWKUNHWSA-N 1 2 270.289 -1.119 20 0 CAADLO O=C(NC[C@H]1C[N@H+](CCO)CCO1)c1ccncn1 ZINC001035553535 656776960 /nfs/dbraw/zinc/77/69/60/656776960.db2.gz CJLVJBCADWEIKV-JTQLQIEISA-N 1 2 266.301 -1.101 20 0 CAADLO O=C(NC[C@H]1C[N@@H+](CCO)CCO1)c1ccncn1 ZINC001035553535 656776965 /nfs/dbraw/zinc/77/69/65/656776965.db2.gz CJLVJBCADWEIKV-JTQLQIEISA-N 1 2 266.301 -1.101 20 0 CAADLO O=C(NC[C@H]1C[N@H+](CCO)CCO1)c1ncccn1 ZINC001035554375 656777089 /nfs/dbraw/zinc/77/70/89/656777089.db2.gz SLSDYOFHESOYBY-JTQLQIEISA-N 1 2 266.301 -1.101 20 0 CAADLO O=C(NC[C@H]1C[N@@H+](CCO)CCO1)c1ncccn1 ZINC001035554375 656777097 /nfs/dbraw/zinc/77/70/97/656777097.db2.gz SLSDYOFHESOYBY-JTQLQIEISA-N 1 2 266.301 -1.101 20 0 CAADLO O=C(NC[C@@H]1C[N@H+](CCO)CCO1)c1ccncn1 ZINC001035553538 656777391 /nfs/dbraw/zinc/77/73/91/656777391.db2.gz CJLVJBCADWEIKV-SNVBAGLBSA-N 1 2 266.301 -1.101 20 0 CAADLO O=C(NC[C@@H]1C[N@@H+](CCO)CCO1)c1ccncn1 ZINC001035553538 656777403 /nfs/dbraw/zinc/77/74/03/656777403.db2.gz CJLVJBCADWEIKV-SNVBAGLBSA-N 1 2 266.301 -1.101 20 0 CAADLO Cn1ccc(C(=O)NC[C@H]2C[N@H+](CCO)CCO2)n1 ZINC001035605907 656777733 /nfs/dbraw/zinc/77/77/33/656777733.db2.gz DVLPZMLEDQNLSD-JTQLQIEISA-N 1 2 268.317 -1.157 20 0 CAADLO Cn1ccc(C(=O)NC[C@H]2C[N@@H+](CCO)CCO2)n1 ZINC001035605907 656777746 /nfs/dbraw/zinc/77/77/46/656777746.db2.gz DVLPZMLEDQNLSD-JTQLQIEISA-N 1 2 268.317 -1.157 20 0 CAADLO C[C@@H](O)C[N@@H+]1CCO[C@@H](CNC(=O)c2cnon2)C1 ZINC001035552164 656777798 /nfs/dbraw/zinc/77/77/98/656777798.db2.gz NSAUXMJOWALXBN-BDAKNGLRSA-N 1 2 270.289 -1.119 20 0 CAADLO C[C@@H](O)C[N@H+]1CCO[C@@H](CNC(=O)c2cnon2)C1 ZINC001035552164 656777802 /nfs/dbraw/zinc/77/78/02/656777802.db2.gz NSAUXMJOWALXBN-BDAKNGLRSA-N 1 2 270.289 -1.119 20 0 CAADLO COc1c(C(=O)NC[C@@H]2C[N@H+](CCO)CCO2)cnn1C ZINC001035593635 656778285 /nfs/dbraw/zinc/77/82/85/656778285.db2.gz PEUPSBYPRYISIM-SNVBAGLBSA-N 1 2 298.343 -1.148 20 0 CAADLO COc1c(C(=O)NC[C@@H]2C[N@@H+](CCO)CCO2)cnn1C ZINC001035593635 656778291 /nfs/dbraw/zinc/77/82/91/656778291.db2.gz PEUPSBYPRYISIM-SNVBAGLBSA-N 1 2 298.343 -1.148 20 0 CAADLO C[C@@H](O)C[N@@H+]1CCO[C@H](CNC(=O)c2nnc[nH]2)C1 ZINC001035554727 656778373 /nfs/dbraw/zinc/77/83/73/656778373.db2.gz HCLIVYFTTPYZDD-RKDXNWHRSA-N 1 2 269.305 -1.384 20 0 CAADLO C[C@@H](O)C[N@H+]1CCO[C@H](CNC(=O)c2nnc[nH]2)C1 ZINC001035554727 656778382 /nfs/dbraw/zinc/77/83/82/656778382.db2.gz HCLIVYFTTPYZDD-RKDXNWHRSA-N 1 2 269.305 -1.384 20 0 CAADLO C[C@@H](O)C[N@@H+]1CCO[C@H](CNC(=O)c2cnon2)C1 ZINC001035552167 656778390 /nfs/dbraw/zinc/77/83/90/656778390.db2.gz NSAUXMJOWALXBN-RKDXNWHRSA-N 1 2 270.289 -1.119 20 0 CAADLO C[C@@H](O)C[N@H+]1CCO[C@H](CNC(=O)c2cnon2)C1 ZINC001035552167 656778403 /nfs/dbraw/zinc/77/84/03/656778403.db2.gz NSAUXMJOWALXBN-RKDXNWHRSA-N 1 2 270.289 -1.119 20 0 CAADLO Cn1ccc(C(=O)NC[C@@H]2C[N@H+](CCO)CCO2)n1 ZINC001035605909 656779156 /nfs/dbraw/zinc/77/91/56/656779156.db2.gz DVLPZMLEDQNLSD-SNVBAGLBSA-N 1 2 268.317 -1.157 20 0 CAADLO Cn1ccc(C(=O)NC[C@@H]2C[N@@H+](CCO)CCO2)n1 ZINC001035605909 656779166 /nfs/dbraw/zinc/77/91/66/656779166.db2.gz DVLPZMLEDQNLSD-SNVBAGLBSA-N 1 2 268.317 -1.157 20 0 CAADLO CN1C(=O)CCC[C@H]1C(=O)NC[C@H]1C[N@H+](CCO)CCO1 ZINC001035595484 656778472 /nfs/dbraw/zinc/77/84/72/656778472.db2.gz HQCBWIDOCAPUPY-RYUDHWBXSA-N 1 2 299.371 -1.193 20 0 CAADLO CN1C(=O)CCC[C@H]1C(=O)NC[C@H]1C[N@@H+](CCO)CCO1 ZINC001035595484 656778487 /nfs/dbraw/zinc/77/84/87/656778487.db2.gz HQCBWIDOCAPUPY-RYUDHWBXSA-N 1 2 299.371 -1.193 20 0 CAADLO NC(=O)c1c[nH]c(C(=O)NC[C@@H]2C[N@H+](CCO)CCO2)c1 ZINC001035556941 656778963 /nfs/dbraw/zinc/77/89/63/656778963.db2.gz BSLUDDWRVSCLGG-SNVBAGLBSA-N 1 2 296.327 -1.464 20 0 CAADLO NC(=O)c1c[nH]c(C(=O)NC[C@@H]2C[N@@H+](CCO)CCO2)c1 ZINC001035556941 656778980 /nfs/dbraw/zinc/77/89/80/656778980.db2.gz BSLUDDWRVSCLGG-SNVBAGLBSA-N 1 2 296.327 -1.464 20 0 CAADLO C[C@H](O)C[N@@H+]1CCO[C@H](CNC(=O)c2nnc[nH]2)C1 ZINC001035554720 656779104 /nfs/dbraw/zinc/77/91/04/656779104.db2.gz HCLIVYFTTPYZDD-DTWKUNHWSA-N 1 2 269.305 -1.384 20 0 CAADLO C[C@H](O)C[N@H+]1CCO[C@H](CNC(=O)c2nnc[nH]2)C1 ZINC001035554720 656779117 /nfs/dbraw/zinc/77/91/17/656779117.db2.gz HCLIVYFTTPYZDD-DTWKUNHWSA-N 1 2 269.305 -1.384 20 0 CAADLO Cc1nonc1C(=O)NC[C@@H]1C[N@H+](CCO)CCO1 ZINC001035624957 656779600 /nfs/dbraw/zinc/77/96/00/656779600.db2.gz QSLDEKMPEAQEJV-SECBINFHSA-N 1 2 270.289 -1.199 20 0 CAADLO Cc1nonc1C(=O)NC[C@@H]1C[N@@H+](CCO)CCO1 ZINC001035624957 656779624 /nfs/dbraw/zinc/77/96/24/656779624.db2.gz QSLDEKMPEAQEJV-SECBINFHSA-N 1 2 270.289 -1.199 20 0 CAADLO CC(=O)N1CC[C@@H](C(=O)NC[C@H]2C[N@H+](CCO)CCO2)C1 ZINC001035592811 656779894 /nfs/dbraw/zinc/77/98/94/656779894.db2.gz JKNRBJQENRVUEL-OLZOCXBDSA-N 1 2 299.371 -1.336 20 0 CAADLO CC(=O)N1CC[C@@H](C(=O)NC[C@H]2C[N@@H+](CCO)CCO2)C1 ZINC001035592811 656779900 /nfs/dbraw/zinc/77/99/00/656779900.db2.gz JKNRBJQENRVUEL-OLZOCXBDSA-N 1 2 299.371 -1.336 20 0 CAADLO CCN(CC)C(=O)CNC(=O)CN1CC[NH2+]CC1=O ZINC000705963888 656780384 /nfs/dbraw/zinc/78/03/84/656780384.db2.gz XUBGIZVTSNLROV-UHFFFAOYSA-N 1 2 270.333 -1.597 20 0 CAADLO NC(=O)c1cc(C(=O)NC[C@H]2C[N@H+](CCO)CCO2)c[nH]1 ZINC001035615576 656780763 /nfs/dbraw/zinc/78/07/63/656780763.db2.gz YUZYCDZBMTWYDI-JTQLQIEISA-N 1 2 296.327 -1.464 20 0 CAADLO NC(=O)c1cc(C(=O)NC[C@H]2C[N@@H+](CCO)CCO2)c[nH]1 ZINC001035615576 656780777 /nfs/dbraw/zinc/78/07/77/656780777.db2.gz YUZYCDZBMTWYDI-JTQLQIEISA-N 1 2 296.327 -1.464 20 0 CAADLO COCC[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001035587383 656780983 /nfs/dbraw/zinc/78/09/83/656780983.db2.gz YJCNVXDLAOEWHC-QWRGUYRKSA-N 1 2 285.344 -1.272 20 0 CAADLO COCC[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001035587383 656780991 /nfs/dbraw/zinc/78/09/91/656780991.db2.gz YJCNVXDLAOEWHC-QWRGUYRKSA-N 1 2 285.344 -1.272 20 0 CAADLO CC(=O)N1CC[C@@H](C(=O)NC[C@@H]2C[N@H+](CCO)CCO2)C1 ZINC001035592810 656781162 /nfs/dbraw/zinc/78/11/62/656781162.db2.gz JKNRBJQENRVUEL-CHWSQXEVSA-N 1 2 299.371 -1.336 20 0 CAADLO CC(=O)N1CC[C@@H](C(=O)NC[C@@H]2C[N@@H+](CCO)CCO2)C1 ZINC001035592810 656781170 /nfs/dbraw/zinc/78/11/70/656781170.db2.gz JKNRBJQENRVUEL-CHWSQXEVSA-N 1 2 299.371 -1.336 20 0 CAADLO CC(=O)N1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](CCO)CCO1 ZINC001035587530 656781530 /nfs/dbraw/zinc/78/15/30/656781530.db2.gz CBAJEWTZYKIKKW-OLZOCXBDSA-N 1 2 299.371 -1.193 20 0 CAADLO CC(=O)N1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](CCO)CCO1 ZINC001035587530 656781547 /nfs/dbraw/zinc/78/15/47/656781547.db2.gz CBAJEWTZYKIKKW-OLZOCXBDSA-N 1 2 299.371 -1.193 20 0 CAADLO Cn1cc(C(=O)NC[C@H]2C[N@H+](CCO)CCO2)n(C)c1=O ZINC001035617497 656781675 /nfs/dbraw/zinc/78/16/75/656781675.db2.gz YLZJSNPDBWZVTG-JTQLQIEISA-N 1 2 298.343 -1.853 20 0 CAADLO Cn1cc(C(=O)NC[C@H]2C[N@@H+](CCO)CCO2)n(C)c1=O ZINC001035617497 656781683 /nfs/dbraw/zinc/78/16/83/656781683.db2.gz YLZJSNPDBWZVTG-JTQLQIEISA-N 1 2 298.343 -1.853 20 0 CAADLO O=C(NC[C@@H]1C[N@H+](CCO)CCO1)[C@@H]1CCC(=O)N1 ZINC001035588154 656782106 /nfs/dbraw/zinc/78/21/06/656782106.db2.gz GCCIPGSRDAQYCD-ZJUUUORDSA-N 1 2 271.317 -1.926 20 0 CAADLO O=C(NC[C@@H]1C[N@@H+](CCO)CCO1)[C@@H]1CCC(=O)N1 ZINC001035588154 656782112 /nfs/dbraw/zinc/78/21/12/656782112.db2.gz GCCIPGSRDAQYCD-ZJUUUORDSA-N 1 2 271.317 -1.926 20 0 CAADLO NC(=O)C[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCC(=O)N1)CC2 ZINC001035840278 656783162 /nfs/dbraw/zinc/78/31/62/656783162.db2.gz UXTYTIQZJVFMOT-JTQLQIEISA-N 1 2 294.355 -1.325 20 0 CAADLO NC(=O)C[NH+]1CC2(C1)CCN(C(=O)Cc1nnc[nH]1)CC2 ZINC001035836398 656783207 /nfs/dbraw/zinc/78/32/07/656783207.db2.gz XWNKTERALVJSOQ-UHFFFAOYSA-N 1 2 292.343 -1.243 20 0 CAADLO Cn1cc(C(=O)N2CCC3(C[NH+](CC(N)=O)C3)CC2)nn1 ZINC001035698183 656783496 /nfs/dbraw/zinc/78/34/96/656783496.db2.gz RZKKROOGRSXEBM-UHFFFAOYSA-N 1 2 292.343 -1.162 20 0 CAADLO NC(=O)C[NH+]1CC2(C1)CCN(C(=O)c1cn[nH]n1)CC2 ZINC001035742085 656783862 /nfs/dbraw/zinc/78/38/62/656783862.db2.gz XEFOHJQXHTZTNS-UHFFFAOYSA-N 1 2 278.316 -1.172 20 0 CAADLO NC(=O)C[NH+]1CC2(C1)CCN(C(=O)Cn1nccn1)CC2 ZINC001035714280 656784567 /nfs/dbraw/zinc/78/45/67/656784567.db2.gz OJROQJXTOLBRHQ-UHFFFAOYSA-N 1 2 292.343 -1.312 20 0 CAADLO CCOC(=O)[C@@H](C)NC(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000706661532 656787052 /nfs/dbraw/zinc/78/70/52/656787052.db2.gz KBUNUTUHBWQZSK-BDAKNGLRSA-N 1 2 271.317 -1.126 20 0 CAADLO Cc1[nH]c(=O)[nH]c1C(=O)N[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001014839394 656800955 /nfs/dbraw/zinc/80/09/55/656800955.db2.gz OZFUADCKVFFYTP-ZETCQYMHSA-N 1 2 267.289 -1.287 20 0 CAADLO Cc1[nH]c(=O)[nH]c1C(=O)N[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001014839394 656800957 /nfs/dbraw/zinc/80/09/57/656800957.db2.gz OZFUADCKVFFYTP-ZETCQYMHSA-N 1 2 267.289 -1.287 20 0 CAADLO COC(=O)[C@@H](NC(=O)/C=C\C[NH+]1CCOCC1)[C@@H](C)O ZINC000923538281 656805921 /nfs/dbraw/zinc/80/59/21/656805921.db2.gz HTFHIOYMJAQGRQ-FQVWWYAISA-N 1 2 286.328 -1.087 20 0 CAADLO CN(C(=O)c1nc[nH]n1)C1CC[NH+](CC(N)=O)CC1 ZINC001006160034 656807131 /nfs/dbraw/zinc/80/71/31/656807131.db2.gz IVTAJDHVIUAPOG-UHFFFAOYSA-N 1 2 266.305 -1.174 20 0 CAADLO Cc1[nH+]c[nH]c1CC(=O)NC1CC(N(C)C(=O)C(N)=O)C1 ZINC001016949495 656808350 /nfs/dbraw/zinc/80/83/50/656808350.db2.gz RFRBZLWSFQAABB-UHFFFAOYSA-N 1 2 293.327 -1.148 20 0 CAADLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)NC(CO)CO ZINC000925589479 656820051 /nfs/dbraw/zinc/82/00/51/656820051.db2.gz IGAWPNJOLGIWMQ-JTQLQIEISA-N 1 2 275.349 -1.250 20 0 CAADLO C[C@@H]([NH2+]C1CN(S(=O)(=O)N(C)C)C1)c1cnnn1C ZINC000926775085 656823922 /nfs/dbraw/zinc/82/39/22/656823922.db2.gz WFOSPLAMQGMHAY-MRVPVSSYSA-N 1 2 288.377 -1.044 20 0 CAADLO CC[C@H](C[NH+]1CCOCC1)NC(=O)CNC(N)=O ZINC000928637422 656826151 /nfs/dbraw/zinc/82/61/51/656826151.db2.gz ZCVIBBWNJLREGZ-SECBINFHSA-N 1 2 258.322 -1.118 20 0 CAADLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)CN1CCNC(=O)C1 ZINC000928634466 656826713 /nfs/dbraw/zinc/82/67/13/656826713.db2.gz CSMUGSRYDUZCPN-LBPRGKRZSA-N 1 2 298.387 -1.355 20 0 CAADLO CN1CC[C@@H]1CNC(=O)[C@@H](F)C(=O)NC[C@@H]1CC[N@@H+]1C ZINC000928551896 656826858 /nfs/dbraw/zinc/82/68/58/656826858.db2.gz GIWRBXPMERWSMN-JGPRNRPPSA-N 1 2 286.351 -1.035 20 0 CAADLO CN1CC[C@@H]1CNC(=O)[C@@H](F)C(=O)NC[C@@H]1CC[N@H+]1C ZINC000928551896 656826861 /nfs/dbraw/zinc/82/68/61/656826861.db2.gz GIWRBXPMERWSMN-JGPRNRPPSA-N 1 2 286.351 -1.035 20 0 CAADLO CN1CC[C@H]1CNC(=O)[C@H](F)C(=O)NC[C@H]1CC[N@@H+]1C ZINC000928551896 656826862 /nfs/dbraw/zinc/82/68/62/656826862.db2.gz GIWRBXPMERWSMN-JGPRNRPPSA-N 1 2 286.351 -1.035 20 0 CAADLO CN1CC[C@H]1CNC(=O)[C@H](F)C(=O)NC[C@H]1CC[N@H+]1C ZINC000928551896 656826866 /nfs/dbraw/zinc/82/68/66/656826866.db2.gz GIWRBXPMERWSMN-JGPRNRPPSA-N 1 2 286.351 -1.035 20 0 CAADLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)CN1CC(=O)NC1=O ZINC000928641358 656826891 /nfs/dbraw/zinc/82/68/91/656826891.db2.gz PUJVAOXCWZTIHI-JTQLQIEISA-N 1 2 298.343 -1.235 20 0 CAADLO C[C@@H](C(=O)N1CCS(=O)(=O)C[C@H]1CCO)[NH+](C)C ZINC000928507341 656827030 /nfs/dbraw/zinc/82/70/30/656827030.db2.gz XVLFOAIJHANFNS-VHSXEESVSA-N 1 2 278.374 -1.056 20 0 CAADLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC000928650535 656827482 /nfs/dbraw/zinc/82/74/82/656827482.db2.gz YRIOLUSCUHTPKO-UWVGGRQHSA-N 1 2 298.343 -1.189 20 0 CAADLO CCN(CC)S(=O)(=O)N1CC[NH+](C[C@@H](O)CO)CC1 ZINC000929198987 656828588 /nfs/dbraw/zinc/82/85/88/656828588.db2.gz MIZJPWLAOLJONB-LLVKDONJSA-N 1 2 295.405 -1.456 20 0 CAADLO CC(C)NC(=O)C(=O)N1CC[NH+](C[C@H](O)[C@@H](C)O)CC1 ZINC000929101029 656828910 /nfs/dbraw/zinc/82/89/10/656828910.db2.gz WVUQCNKEHGLKQS-MNOVXSKESA-N 1 2 287.360 -1.603 20 0 CAADLO O=C(NCCO)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000929143130 656829038 /nfs/dbraw/zinc/82/90/38/656829038.db2.gz YIXAWPJCEDRJLU-MNOVXSKESA-N 1 2 258.318 -1.025 20 0 CAADLO COCCOCCOCC[N@@H+]1CCO[C@H](C(N)=O)C1 ZINC000929424947 656829655 /nfs/dbraw/zinc/82/96/55/656829655.db2.gz PEFBLBLFTUFAJD-NSHDSACASA-N 1 2 276.333 -1.148 20 0 CAADLO COCCOCCOCC[N@H+]1CCO[C@H](C(N)=O)C1 ZINC000929424947 656829658 /nfs/dbraw/zinc/82/96/58/656829658.db2.gz PEFBLBLFTUFAJD-NSHDSACASA-N 1 2 276.333 -1.148 20 0 CAADLO Cn1cc(C2=NC[C@H](C[N@H+](C)CC(N)=O)O2)cn1 ZINC000929262016 656829685 /nfs/dbraw/zinc/82/96/85/656829685.db2.gz KGOKQEOVQPWPAC-SECBINFHSA-N 1 2 251.290 -1.017 20 0 CAADLO Cn1cc(C2=NC[C@H](C[N@@H+](C)CC(N)=O)O2)cn1 ZINC000929262016 656829690 /nfs/dbraw/zinc/82/96/90/656829690.db2.gz KGOKQEOVQPWPAC-SECBINFHSA-N 1 2 251.290 -1.017 20 0 CAADLO C[C@H](O)[C@@H](O)C[NH+]1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC000929280008 656829772 /nfs/dbraw/zinc/82/97/72/656829772.db2.gz YHWOLTHZBCYODM-ONGXEEELSA-N 1 2 285.344 -1.849 20 0 CAADLO C[C@H]1C(=O)NCC[N@H+]1C[C@H](O)C1(O)CCOCC1 ZINC000929486462 656829847 /nfs/dbraw/zinc/82/98/47/656829847.db2.gz FLDNAMMMIPNEIM-UWVGGRQHSA-N 1 2 258.318 -1.291 20 0 CAADLO C[C@H]1C(=O)NCC[N@@H+]1C[C@H](O)C1(O)CCOCC1 ZINC000929486462 656829848 /nfs/dbraw/zinc/82/98/48/656829848.db2.gz FLDNAMMMIPNEIM-UWVGGRQHSA-N 1 2 258.318 -1.291 20 0 CAADLO C[C@@H](O)[C@H](O)C[NH+]1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC000929282579 656830071 /nfs/dbraw/zinc/83/00/71/656830071.db2.gz LEZVNZPMAMSSBJ-VXGBXAGGSA-N 1 2 299.371 -1.505 20 0 CAADLO COCCOCCOCC[N@@H+]1CCO[C@@H](C(N)=O)C1 ZINC000929424945 656830499 /nfs/dbraw/zinc/83/04/99/656830499.db2.gz PEFBLBLFTUFAJD-LLVKDONJSA-N 1 2 276.333 -1.148 20 0 CAADLO COCCOCCOCC[N@H+]1CCO[C@@H](C(N)=O)C1 ZINC000929424945 656830502 /nfs/dbraw/zinc/83/05/02/656830502.db2.gz PEFBLBLFTUFAJD-LLVKDONJSA-N 1 2 276.333 -1.148 20 0 CAADLO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+]1C[C@H](O)C1(O)CCC1 ZINC000929603709 656831201 /nfs/dbraw/zinc/83/12/01/656831201.db2.gz KDMUFZJQZFZUGI-UTLUCORTSA-N 1 2 259.302 -1.130 20 0 CAADLO COC(=O)[C@@H]1C[C@@H](O)C[N@H+]1C[C@H](O)C1(O)CCC1 ZINC000929603709 656831203 /nfs/dbraw/zinc/83/12/03/656831203.db2.gz KDMUFZJQZFZUGI-UTLUCORTSA-N 1 2 259.302 -1.130 20 0 CAADLO CON1CC[C@@H]([N@@H+]2CC[C@H](NS(C)(=O)=O)C2)C1=O ZINC000929664415 656831695 /nfs/dbraw/zinc/83/16/95/656831695.db2.gz DAABPEANCVASDE-DTWKUNHWSA-N 1 2 277.346 -1.228 20 0 CAADLO CON1CC[C@@H]([N@H+]2CC[C@H](NS(C)(=O)=O)C2)C1=O ZINC000929664415 656831697 /nfs/dbraw/zinc/83/16/97/656831697.db2.gz DAABPEANCVASDE-DTWKUNHWSA-N 1 2 277.346 -1.228 20 0 CAADLO CON1CC[C@H]([N@@H+]2CC[C@@H](NS(C)(=O)=O)C2)C1=O ZINC000929664412 656831706 /nfs/dbraw/zinc/83/17/06/656831706.db2.gz DAABPEANCVASDE-BDAKNGLRSA-N 1 2 277.346 -1.228 20 0 CAADLO CON1CC[C@H]([N@H+]2CC[C@@H](NS(C)(=O)=O)C2)C1=O ZINC000929664412 656831710 /nfs/dbraw/zinc/83/17/10/656831710.db2.gz DAABPEANCVASDE-BDAKNGLRSA-N 1 2 277.346 -1.228 20 0 CAADLO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+]1C[C@@H](O)C1(O)CCC1 ZINC000929603708 656831834 /nfs/dbraw/zinc/83/18/34/656831834.db2.gz KDMUFZJQZFZUGI-KXUCPTDWSA-N 1 2 259.302 -1.130 20 0 CAADLO COC(=O)[C@@H]1C[C@@H](O)C[N@H+]1C[C@@H](O)C1(O)CCC1 ZINC000929603708 656831838 /nfs/dbraw/zinc/83/18/38/656831838.db2.gz KDMUFZJQZFZUGI-KXUCPTDWSA-N 1 2 259.302 -1.130 20 0 CAADLO C[C@H](O)[C@H](O)C[N@@H+]1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC000929841534 656833590 /nfs/dbraw/zinc/83/35/90/656833590.db2.gz BNLBBKNKWFBFBU-DJLDLDEBSA-N 1 2 257.290 -2.629 20 0 CAADLO C[C@H](O)[C@H](O)C[N@H+]1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC000929841534 656833593 /nfs/dbraw/zinc/83/35/93/656833593.db2.gz BNLBBKNKWFBFBU-DJLDLDEBSA-N 1 2 257.290 -2.629 20 0 CAADLO O=C1NC[C@@H]2C[N@H+](C[C@@H]3CCC4(COC4)O3)CCN2C1=O ZINC000929845677 656833910 /nfs/dbraw/zinc/83/39/10/656833910.db2.gz YDRXPRKIZIDDFD-MNOVXSKESA-N 1 2 295.339 -1.423 20 0 CAADLO O=C1NC[C@@H]2C[N@@H+](C[C@@H]3CCC4(COC4)O3)CCN2C1=O ZINC000929845677 656833915 /nfs/dbraw/zinc/83/39/15/656833915.db2.gz YDRXPRKIZIDDFD-MNOVXSKESA-N 1 2 295.339 -1.423 20 0 CAADLO CCOC(=O)[C@@H]1C[C@H]1C[N@@H+]1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC000929845451 656834300 /nfs/dbraw/zinc/83/43/00/656834300.db2.gz XDKRVQCZCYUORU-GARJFASQSA-N 1 2 295.339 -1.172 20 0 CAADLO CCOC(=O)[C@@H]1C[C@H]1C[N@H+]1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC000929845451 656834306 /nfs/dbraw/zinc/83/43/06/656834306.db2.gz XDKRVQCZCYUORU-GARJFASQSA-N 1 2 295.339 -1.172 20 0 CAADLO CNC(=O)N1CC[NH+](C[C@H](O)C[C@@]2(O)CCOC2)CC1 ZINC000930012748 656834640 /nfs/dbraw/zinc/83/46/40/656834640.db2.gz OTUBIZRDUHBVOD-YPMHNXCESA-N 1 2 287.360 -1.154 20 0 CAADLO CNC(=O)N1CC[NH+](C[C@@H](O)C[C@]2(O)CCOC2)CC1 ZINC000930012747 656835474 /nfs/dbraw/zinc/83/54/74/656835474.db2.gz OTUBIZRDUHBVOD-WCQYABFASA-N 1 2 287.360 -1.154 20 0 CAADLO O=C([C@@H]1CSCC(=O)N1)N1CC[NH+](CCO)CC1 ZINC000930036347 656835642 /nfs/dbraw/zinc/83/56/42/656835642.db2.gz VXDUSFCDXUCOAG-VIFPVBQESA-N 1 2 273.358 -1.646 20 0 CAADLO COCCOCCOCC[NH+]1CCN(C(=O)CO)CC1 ZINC000930103548 656836480 /nfs/dbraw/zinc/83/64/80/656836480.db2.gz VMEJYRJIHMCQFH-UHFFFAOYSA-N 1 2 290.360 -1.198 20 0 CAADLO CS(=O)(=O)N1CC(C[NH+]2CCN(C(=O)CO)CC2)C1 ZINC000930102794 656836851 /nfs/dbraw/zinc/83/68/51/656836851.db2.gz IJMVFTOULMZQEH-UHFFFAOYSA-N 1 2 291.373 -1.986 20 0 CAADLO CNS(=O)(=O)N1CC[NH+](C[C@@H](O)[C@H](C)O)CC1 ZINC000930486376 656838807 /nfs/dbraw/zinc/83/88/07/656838807.db2.gz KYVBFONJKIPWNJ-DTWKUNHWSA-N 1 2 267.351 -2.190 20 0 CAADLO CNS(=O)(=O)N1CC[NH+](C[C@H](O)[C@@H](C)O)CC1 ZINC000930486372 656839021 /nfs/dbraw/zinc/83/90/21/656839021.db2.gz KYVBFONJKIPWNJ-BDAKNGLRSA-N 1 2 267.351 -2.190 20 0 CAADLO COC[C@@H](C(N)=O)[N@H+](C)C[C@@H]1CN=C(c2cnn(C)c2)O1 ZINC000930575284 656839936 /nfs/dbraw/zinc/83/99/36/656839936.db2.gz FNEPLOZKBCCEFT-QWRGUYRKSA-N 1 2 295.343 -1.002 20 0 CAADLO COC[C@@H](C(N)=O)[N@@H+](C)C[C@@H]1CN=C(c2cnn(C)c2)O1 ZINC000930575284 656839937 /nfs/dbraw/zinc/83/99/37/656839937.db2.gz FNEPLOZKBCCEFT-QWRGUYRKSA-N 1 2 295.343 -1.002 20 0 CAADLO COC[C@@H](C(N)=O)[N@H+](C)C[C@H]1CN=C(c2cnn(C)c2)O1 ZINC000930575283 656840030 /nfs/dbraw/zinc/84/00/30/656840030.db2.gz FNEPLOZKBCCEFT-MNOVXSKESA-N 1 2 295.343 -1.002 20 0 CAADLO COC[C@@H](C(N)=O)[N@@H+](C)C[C@H]1CN=C(c2cnn(C)c2)O1 ZINC000930575283 656840031 /nfs/dbraw/zinc/84/00/31/656840031.db2.gz FNEPLOZKBCCEFT-MNOVXSKESA-N 1 2 295.343 -1.002 20 0 CAADLO C[C@H]1C[N@H+](CCN2CC(S(N)(=O)=O)C2)CCO1 ZINC000930734260 656840570 /nfs/dbraw/zinc/84/05/70/656840570.db2.gz NHJTWALFRDESFT-VIFPVBQESA-N 1 2 263.363 -1.320 20 0 CAADLO C[C@H]1C[N@@H+](CCN2CC(S(N)(=O)=O)C2)CCO1 ZINC000930734260 656840573 /nfs/dbraw/zinc/84/05/73/656840573.db2.gz NHJTWALFRDESFT-VIFPVBQESA-N 1 2 263.363 -1.320 20 0 CAADLO OC[C@H](O)C[NH+]1CCN(CC(F)(F)CO)CC1 ZINC000930883411 656842169 /nfs/dbraw/zinc/84/21/69/656842169.db2.gz YKHNUXMIPDEKRV-SECBINFHSA-N 1 2 254.277 -1.415 20 0 CAADLO COC(OC)C(=O)N1CC[NH+](C[C@H](O)[C@@H](C)O)CC1 ZINC000930956105 656842187 /nfs/dbraw/zinc/84/21/87/656842187.db2.gz AZGRRDWSVXNYJJ-ZJUUUORDSA-N 1 2 276.333 -1.509 20 0 CAADLO C[C@H](O)[C@@H](O)C[NH+]1CCN(Cc2nnc[nH]2)CC1 ZINC000930859377 656842496 /nfs/dbraw/zinc/84/24/96/656842496.db2.gz OOLXAANXKBLKFY-UWVGGRQHSA-N 1 2 255.322 -1.336 20 0 CAADLO COC(OC)C(=O)N1CC[NH+](C[C@H](O)CO)CC1 ZINC000930954489 656842548 /nfs/dbraw/zinc/84/25/48/656842548.db2.gz LNGCYYKHSOPRAE-VIFPVBQESA-N 1 2 262.306 -1.897 20 0 CAADLO OC[C@@H](O)C[NH+]1CCN(CC(F)(F)CO)CC1 ZINC000930883415 656842598 /nfs/dbraw/zinc/84/25/98/656842598.db2.gz YKHNUXMIPDEKRV-VIFPVBQESA-N 1 2 254.277 -1.415 20 0 CAADLO C[C@@H]1C[N@H+](C[C@H](O)CO)CCN1S(C)(=O)=O ZINC000931014981 656843195 /nfs/dbraw/zinc/84/31/95/656843195.db2.gz SRRLICQXBQXBNM-BDAKNGLRSA-N 1 2 252.336 -1.695 20 0 CAADLO C[C@@H]1C[N@@H+](C[C@H](O)CO)CCN1S(C)(=O)=O ZINC000931014981 656843198 /nfs/dbraw/zinc/84/31/98/656843198.db2.gz SRRLICQXBQXBNM-BDAKNGLRSA-N 1 2 252.336 -1.695 20 0 CAADLO CNC(=O)NC[C@@H]1C[N@H+](C[C@H](O)[C@H](C)O)CCO1 ZINC000931168281 656843700 /nfs/dbraw/zinc/84/37/00/656843700.db2.gz WWTZLFFXALPBFU-AEJSXWLSSA-N 1 2 261.322 -1.642 20 0 CAADLO CNC(=O)NC[C@@H]1C[N@@H+](C[C@H](O)[C@H](C)O)CCO1 ZINC000931168281 656843701 /nfs/dbraw/zinc/84/37/01/656843701.db2.gz WWTZLFFXALPBFU-AEJSXWLSSA-N 1 2 261.322 -1.642 20 0 CAADLO C[C@@H](O)[C@H](O)C[N@@H+]1CCN(S(C)(=O)=O)[C@H](C)C1 ZINC000931014177 656843719 /nfs/dbraw/zinc/84/37/19/656843719.db2.gz FSHASBDGSFTFAD-OPRDCNLKSA-N 1 2 266.363 -1.306 20 0 CAADLO C[C@@H](O)[C@H](O)C[N@H+]1CCN(S(C)(=O)=O)[C@H](C)C1 ZINC000931014177 656843721 /nfs/dbraw/zinc/84/37/21/656843721.db2.gz FSHASBDGSFTFAD-OPRDCNLKSA-N 1 2 266.363 -1.306 20 0 CAADLO CN(C)[S@@](C)(=O)=NC(=O)CN1CC[N@H+](C)[C@@H](CO)C1 ZINC000931400307 656845817 /nfs/dbraw/zinc/84/58/17/656845817.db2.gz NRHZUURAAWSUSM-DGIBIBHMSA-N 1 2 292.405 -1.304 20 0 CAADLO CN(C)[S@@](C)(=O)=NC(=O)CN1CC[N@@H+](C)[C@@H](CO)C1 ZINC000931400307 656845818 /nfs/dbraw/zinc/84/58/18/656845818.db2.gz NRHZUURAAWSUSM-DGIBIBHMSA-N 1 2 292.405 -1.304 20 0 CAADLO CN(C)[S@@](C)(=O)=NC(=O)CN1CC[N@H+](C)[C@H](CO)C1 ZINC000931400309 656846116 /nfs/dbraw/zinc/84/61/16/656846116.db2.gz NRHZUURAAWSUSM-OVWNDWIMSA-N 1 2 292.405 -1.304 20 0 CAADLO CN(C)[S@@](C)(=O)=NC(=O)CN1CC[N@@H+](C)[C@H](CO)C1 ZINC000931400309 656846120 /nfs/dbraw/zinc/84/61/20/656846120.db2.gz NRHZUURAAWSUSM-OVWNDWIMSA-N 1 2 292.405 -1.304 20 0 CAADLO C[C@H]1C[N@H+](CCNC(=O)C[C@H]2CC(=O)NC2=O)CCO1 ZINC000931398672 656846206 /nfs/dbraw/zinc/84/62/06/656846206.db2.gz CDXFKGUFYWWVOP-UWVGGRQHSA-N 1 2 283.328 -1.124 20 0 CAADLO C[C@H]1C[N@@H+](CCNC(=O)C[C@H]2CC(=O)NC2=O)CCO1 ZINC000931398672 656846213 /nfs/dbraw/zinc/84/62/13/656846213.db2.gz CDXFKGUFYWWVOP-UWVGGRQHSA-N 1 2 283.328 -1.124 20 0 CAADLO COC(=O)[C@H]1C[C@@H](O)C[N@@H+]1C[C@@H](O)C1(O)CCC1 ZINC000931565713 656846577 /nfs/dbraw/zinc/84/65/77/656846577.db2.gz KDMUFZJQZFZUGI-OPRDCNLKSA-N 1 2 259.302 -1.130 20 0 CAADLO COC(=O)[C@H]1C[C@@H](O)C[N@H+]1C[C@@H](O)C1(O)CCC1 ZINC000931565713 656846578 /nfs/dbraw/zinc/84/65/78/656846578.db2.gz KDMUFZJQZFZUGI-OPRDCNLKSA-N 1 2 259.302 -1.130 20 0 CAADLO CN(CC[NH+]1CCOCC1)C(=O)C[C@H]1CC(=O)NC1=O ZINC000931642404 656847069 /nfs/dbraw/zinc/84/70/69/656847069.db2.gz RWYOJOJVCAPILH-SNVBAGLBSA-N 1 2 283.328 -1.170 20 0 CAADLO C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)C1 ZINC000932071937 656853244 /nfs/dbraw/zinc/85/32/44/656853244.db2.gz ZCXQZWMJPDBQMF-BDAKNGLRSA-N 1 2 289.357 -1.890 20 0 CAADLO C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)C1 ZINC000932071937 656853246 /nfs/dbraw/zinc/85/32/46/656853246.db2.gz ZCXQZWMJPDBQMF-BDAKNGLRSA-N 1 2 289.357 -1.890 20 0 CAADLO COCC[NH+]1CCN(C(=O)C(=O)N[C@H]2COC[C@@H]2C)CC1 ZINC000932075101 656853396 /nfs/dbraw/zinc/85/33/96/656853396.db2.gz LQYRKHJNFMXVAU-RYUDHWBXSA-N 1 2 299.371 -1.072 20 0 CAADLO O=C(NC1=NCC(=O)N1)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000932636973 656855209 /nfs/dbraw/zinc/85/52/09/656855209.db2.gz ALSFLFOERIGQKH-ZJUUUORDSA-N 1 2 296.327 -1.532 20 0 CAADLO O=C1OCCN1CC[N@@H+]1CCN2[C@@H](CNS2(=O)=O)C1 ZINC000933094134 656856372 /nfs/dbraw/zinc/85/63/72/656856372.db2.gz SEILWTCPVBNANA-VIFPVBQESA-N 1 2 290.345 -1.727 20 0 CAADLO O=C1OCCN1CC[N@H+]1CCN2[C@@H](CNS2(=O)=O)C1 ZINC000933094134 656856377 /nfs/dbraw/zinc/85/63/77/656856377.db2.gz SEILWTCPVBNANA-VIFPVBQESA-N 1 2 290.345 -1.727 20 0 CAADLO NC(=O)CCNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000933418944 656857567 /nfs/dbraw/zinc/85/75/67/656857567.db2.gz PDHVKAKVWLXQRQ-MNOVXSKESA-N 1 2 285.344 -1.142 20 0 CAADLO COC[C@@H](C)NC(=O)NC(=O)C[N@@H+]1CC[C@@H]1CO ZINC000934024725 656860069 /nfs/dbraw/zinc/86/00/69/656860069.db2.gz ARXSDQDXWRWGEV-RKDXNWHRSA-N 1 2 259.306 -1.086 20 0 CAADLO COC[C@@H](C)NC(=O)NC(=O)C[N@H+]1CC[C@@H]1CO ZINC000934024725 656860071 /nfs/dbraw/zinc/86/00/71/656860071.db2.gz ARXSDQDXWRWGEV-RKDXNWHRSA-N 1 2 259.306 -1.086 20 0 CAADLO C[C@@H]1OCCO[C@@H]1C(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000935015447 656860673 /nfs/dbraw/zinc/86/06/73/656860673.db2.gz JZXIAQLBLKMVJV-SRVKXCTJSA-N 1 2 269.345 -1.094 20 0 CAADLO O=C(NC(CO)CO)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000935180943 656861428 /nfs/dbraw/zinc/86/14/28/656861428.db2.gz YVVHEXVRDSLEJF-NEPJUHHUSA-N 1 2 288.344 -1.664 20 0 CAADLO COC1(C(=O)N2CCC3(C[NH+](C)C3)C2)CS(=O)(=O)C1 ZINC000935665317 656864275 /nfs/dbraw/zinc/86/42/75/656864275.db2.gz BCKGKCAVEBKDJK-UHFFFAOYSA-N 1 2 288.369 -1.036 20 0 CAADLO C[C@@H]1C[C@@H](NC(=O)C(N)=O)CC[N@@H+]1Cc1cnn(C)n1 ZINC000947671552 656868734 /nfs/dbraw/zinc/86/87/34/656868734.db2.gz MLEMSXBCRNYUTE-BDAKNGLRSA-N 1 2 280.332 -1.231 20 0 CAADLO C[C@@H]1C[C@@H](NC(=O)C(N)=O)CC[N@H+]1Cc1cnn(C)n1 ZINC000947671552 656868740 /nfs/dbraw/zinc/86/87/40/656868740.db2.gz MLEMSXBCRNYUTE-BDAKNGLRSA-N 1 2 280.332 -1.231 20 0 CAADLO Cn1c[nH+]cc1CC(=O)N1CCC(NC(=O)C(N)=O)CC1 ZINC000947503938 656869092 /nfs/dbraw/zinc/86/90/92/656869092.db2.gz RFVIPPDUZYXRAX-UHFFFAOYSA-N 1 2 293.327 -1.445 20 0 CAADLO C[C@@H]1C[C@H](NC(=O)C(N)=O)CC[N@@H+]1Cc1ncnn1C ZINC000947670416 656869130 /nfs/dbraw/zinc/86/91/30/656869130.db2.gz DVMWAPVOKZAXHR-RKDXNWHRSA-N 1 2 280.332 -1.231 20 0 CAADLO C[C@@H]1C[C@H](NC(=O)C(N)=O)CC[N@H+]1Cc1ncnn1C ZINC000947670416 656869132 /nfs/dbraw/zinc/86/91/32/656869132.db2.gz DVMWAPVOKZAXHR-RKDXNWHRSA-N 1 2 280.332 -1.231 20 0 CAADLO C[C@H]1C[C@H](NC(=O)C(N)=O)CC[N@@H+]1Cc1nncn1C ZINC000947667910 656869175 /nfs/dbraw/zinc/86/91/75/656869175.db2.gz UCQAABUIEXFXRX-DTWKUNHWSA-N 1 2 280.332 -1.231 20 0 CAADLO C[C@H]1C[C@H](NC(=O)C(N)=O)CC[N@H+]1Cc1nncn1C ZINC000947667910 656869182 /nfs/dbraw/zinc/86/91/82/656869182.db2.gz UCQAABUIEXFXRX-DTWKUNHWSA-N 1 2 280.332 -1.231 20 0 CAADLO C[C@@H]1C[C@H](NC(=O)C(N)=O)CC[N@@H+]1Cc1cn(C)nn1 ZINC000947675505 656869265 /nfs/dbraw/zinc/86/92/65/656869265.db2.gz IAVXRAULXMMENX-RKDXNWHRSA-N 1 2 280.332 -1.231 20 0 CAADLO C[C@@H]1C[C@H](NC(=O)C(N)=O)CC[N@H+]1Cc1cn(C)nn1 ZINC000947675505 656869268 /nfs/dbraw/zinc/86/92/68/656869268.db2.gz IAVXRAULXMMENX-RKDXNWHRSA-N 1 2 280.332 -1.231 20 0 CAADLO C[C@H]1C[C@@H](NC(=O)C(N)=O)CC[N@@H+]1Cc1ncnn1C ZINC000947670415 656869280 /nfs/dbraw/zinc/86/92/80/656869280.db2.gz DVMWAPVOKZAXHR-IUCAKERBSA-N 1 2 280.332 -1.231 20 0 CAADLO C[C@H]1C[C@@H](NC(=O)C(N)=O)CC[N@H+]1Cc1ncnn1C ZINC000947670415 656869281 /nfs/dbraw/zinc/86/92/81/656869281.db2.gz DVMWAPVOKZAXHR-IUCAKERBSA-N 1 2 280.332 -1.231 20 0 CAADLO C[C@@H]1C[C@@H](NC(=O)c2nnc[nH]2)CC[N@@H+]1CC(N)=O ZINC000947828868 656869774 /nfs/dbraw/zinc/86/97/74/656869774.db2.gz JNGYLWUKTMZVRY-SFYZADRCSA-N 1 2 266.305 -1.127 20 0 CAADLO C[C@@H]1C[C@@H](NC(=O)c2nnc[nH]2)CC[N@H+]1CC(N)=O ZINC000947828868 656869775 /nfs/dbraw/zinc/86/97/75/656869775.db2.gz JNGYLWUKTMZVRY-SFYZADRCSA-N 1 2 266.305 -1.127 20 0 CAADLO C[C@@H]1C[C@@H](NC(=O)c2ncn[nH]2)CC[N@@H+]1CC(N)=O ZINC000947828868 656869778 /nfs/dbraw/zinc/86/97/78/656869778.db2.gz JNGYLWUKTMZVRY-SFYZADRCSA-N 1 2 266.305 -1.127 20 0 CAADLO C[C@@H]1C[C@@H](NC(=O)c2ncn[nH]2)CC[N@H+]1CC(N)=O ZINC000947828868 656869782 /nfs/dbraw/zinc/86/97/82/656869782.db2.gz JNGYLWUKTMZVRY-SFYZADRCSA-N 1 2 266.305 -1.127 20 0 CAADLO C[C@H]1C[C@@H](NC(=O)Cc2nnc[nH]2)CC[N@@H+]1CC(N)=O ZINC000947907779 656870381 /nfs/dbraw/zinc/87/03/81/656870381.db2.gz KJFCPVJROKAOIA-IUCAKERBSA-N 1 2 280.332 -1.198 20 0 CAADLO C[C@H]1C[C@@H](NC(=O)Cc2nnc[nH]2)CC[N@H+]1CC(N)=O ZINC000947907779 656870386 /nfs/dbraw/zinc/87/03/86/656870386.db2.gz KJFCPVJROKAOIA-IUCAKERBSA-N 1 2 280.332 -1.198 20 0 CAADLO Cc1[nH+]c[nH]c1CC(=O)NC1CCN(C(=O)C(N)=O)CC1 ZINC000948072466 656872001 /nfs/dbraw/zinc/87/20/01/656872001.db2.gz SYGTZVDQWUYLTQ-UHFFFAOYSA-N 1 2 293.327 -1.147 20 0 CAADLO O=C(Cn1nccn1)N1CC[NH+](CCn2cncn2)CC1 ZINC000948544783 656873104 /nfs/dbraw/zinc/87/31/04/656873104.db2.gz BKJFBNHBDSCJEF-UHFFFAOYSA-N 1 2 290.331 -1.286 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CCOC2(CCN(C(=O)C(N)=O)CC2)C1 ZINC000949454229 656878540 /nfs/dbraw/zinc/87/85/40/656878540.db2.gz HUDNUQKNARJXST-SECBINFHSA-N 1 2 298.343 -1.961 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CCOC2(CCN(C(=O)C(N)=O)CC2)C1 ZINC000949454229 656878543 /nfs/dbraw/zinc/87/85/43/656878543.db2.gz HUDNUQKNARJXST-SECBINFHSA-N 1 2 298.343 -1.961 20 0 CAADLO Cn1c[nH+]cc1CN1CCN(C(=O)c2nnn(C)n2)CC1 ZINC000949721282 656879262 /nfs/dbraw/zinc/87/92/62/656879262.db2.gz FGZQZIYMRBHSCJ-UHFFFAOYSA-N 1 2 290.331 -1.098 20 0 CAADLO O=C([C@H]1CNC(=O)N1)N1CC[NH+](CCn2cccn2)CC1 ZINC000949946672 656880298 /nfs/dbraw/zinc/88/02/98/656880298.db2.gz ARDVSXOODRVVJT-LLVKDONJSA-N 1 2 292.343 -1.291 20 0 CAADLO NC(=O)C(=O)N1CC[NH+](C[C@H]2CCc3ncnn32)CC1 ZINC000949976832 656881022 /nfs/dbraw/zinc/88/10/22/656881022.db2.gz DPJKLFPOKPEERF-SECBINFHSA-N 1 2 278.316 -1.605 20 0 CAADLO NC(=O)C(=O)N1CC[NH+](CCCN2C(=O)CNC2=O)CC1 ZINC000949977471 656881051 /nfs/dbraw/zinc/88/10/51/656881051.db2.gz RDFRGFOVDCHGBA-UHFFFAOYSA-N 1 2 297.315 -2.442 20 0 CAADLO NC(=O)C1(C(=O)N2CC[NH+](CCn3cncn3)CC2)CC1 ZINC000949983389 656882155 /nfs/dbraw/zinc/88/21/55/656882155.db2.gz YNZACYRKJXUHRD-UHFFFAOYSA-N 1 2 292.343 -1.312 20 0 CAADLO NC(=O)CC(=O)N1CCC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000950263222 656882894 /nfs/dbraw/zinc/88/28/94/656882894.db2.gz VAQLTTHOQBPPJK-SECBINFHSA-N 1 2 293.327 -1.065 20 0 CAADLO O=C(Cc1c[nH+]c[nH]1)N1CCN([C@H]2CCNC2=O)CC1 ZINC000950808429 656884419 /nfs/dbraw/zinc/88/44/19/656884419.db2.gz UKNSFXSYIQZLEH-NSHDSACASA-N 1 2 277.328 -1.015 20 0 CAADLO NC(=O)CN1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000950808034 656884768 /nfs/dbraw/zinc/88/47/68/656884768.db2.gz LOBOFDXSHUVLSP-UHFFFAOYSA-N 1 2 251.290 -1.418 20 0 CAADLO NC(=O)C(=O)N1CC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000950780603 656884910 /nfs/dbraw/zinc/88/49/10/656884910.db2.gz XVNFDSNFWYKOFB-DJLDLDEBSA-N 1 2 291.311 -1.284 20 0 CAADLO NC(=O)C(=O)N1CC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000950780603 656884912 /nfs/dbraw/zinc/88/49/12/656884912.db2.gz XVNFDSNFWYKOFB-DJLDLDEBSA-N 1 2 291.311 -1.284 20 0 CAADLO NC(=O)C(=O)N[C@H]1CCCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000950617265 656885019 /nfs/dbraw/zinc/88/50/19/656885019.db2.gz SDVRHTLYRGUPCZ-VIFPVBQESA-N 1 2 293.327 -1.065 20 0 CAADLO NC(=O)C(=O)N1CC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000950780604 656885077 /nfs/dbraw/zinc/88/50/77/656885077.db2.gz XVNFDSNFWYKOFB-IWSPIJDZSA-N 1 2 291.311 -1.284 20 0 CAADLO NC(=O)C(=O)N1CC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000950780604 656885078 /nfs/dbraw/zinc/88/50/78/656885078.db2.gz XVNFDSNFWYKOFB-IWSPIJDZSA-N 1 2 291.311 -1.284 20 0 CAADLO NC(=O)C(=O)N[C@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC000951458344 656888448 /nfs/dbraw/zinc/88/84/48/656888448.db2.gz GCOUMGNRCJWPPV-JTQLQIEISA-N 1 2 293.327 -1.134 20 0 CAADLO Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@@H](NC(=O)C(N)=O)C1 ZINC000951511037 656888692 /nfs/dbraw/zinc/88/86/92/656888692.db2.gz YXGYVWPEMLWZPS-SECBINFHSA-N 1 2 293.327 -1.147 20 0 CAADLO Cn1c[nH+]cc1CC(=O)N[C@@H]1CCCN(C(=O)C(N)=O)C1 ZINC000951850992 656890716 /nfs/dbraw/zinc/89/07/16/656890716.db2.gz DGYMCJHOOOOBPS-SECBINFHSA-N 1 2 293.327 -1.445 20 0 CAADLO NC(=O)C(=O)N[C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000951814442 656891175 /nfs/dbraw/zinc/89/11/75/656891175.db2.gz MLBIVQOBFGWRCX-MRVPVSSYSA-N 1 2 279.300 -1.455 20 0 CAADLO Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CCCN(C(=O)C(N)=O)C1 ZINC000951853947 656891654 /nfs/dbraw/zinc/89/16/54/656891654.db2.gz MFKZATYFWGHALJ-VIFPVBQESA-N 1 2 293.327 -1.147 20 0 CAADLO NC(=O)C(=O)N1CCC[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000951854431 656891781 /nfs/dbraw/zinc/89/17/81/656891781.db2.gz XLEAABUZSVXXFT-QMMMGPOBSA-N 1 2 279.300 -1.455 20 0 CAADLO NC(=O)C(=O)N1CCC[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC000951859326 656892378 /nfs/dbraw/zinc/89/23/78/656892378.db2.gz XITJKGQWBVUFEH-QMMMGPOBSA-N 1 2 279.300 -1.455 20 0 CAADLO C[C@@H](C(N)=O)N1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000952403437 656895646 /nfs/dbraw/zinc/89/56/46/656895646.db2.gz NWYVOEHSMFRQMT-VIFPVBQESA-N 1 2 265.317 -1.030 20 0 CAADLO CNC(=O)C[N@@H+]1CCC[C@H](NC(=O)c2cnnn2C)C1 ZINC001007244805 656898682 /nfs/dbraw/zinc/89/86/82/656898682.db2.gz WOIXYWNBNQLNQA-VIFPVBQESA-N 1 2 280.332 -1.245 20 0 CAADLO CNC(=O)C[N@H+]1CCC[C@H](NC(=O)c2cnnn2C)C1 ZINC001007244805 656898683 /nfs/dbraw/zinc/89/86/83/656898683.db2.gz WOIXYWNBNQLNQA-VIFPVBQESA-N 1 2 280.332 -1.245 20 0 CAADLO Cc1[nH+]c[nH]c1CC(=O)N(C)C1CN(C(=O)C(N)=O)C1 ZINC000954932232 656898845 /nfs/dbraw/zinc/89/88/45/656898845.db2.gz PGCNODXLPILJPX-UHFFFAOYSA-N 1 2 279.300 -1.585 20 0 CAADLO CN(C[C@@H](O)C[NH+]1CCOCC1)[C@H]1CCOC1=O ZINC000246616953 656899879 /nfs/dbraw/zinc/89/98/79/656899879.db2.gz YPVVMWDYJDWCEM-MNOVXSKESA-N 1 2 258.318 -1.073 20 0 CAADLO C[C@H]1C[C@@H](NC(=O)C(N)=O)CCN1C(=O)Cn1cc[nH+]c1 ZINC000955731319 656902786 /nfs/dbraw/zinc/90/27/86/656902786.db2.gz UOPRPRXMJHJOOI-UWVGGRQHSA-N 1 2 293.327 -1.136 20 0 CAADLO C[C@@H]1C[C@@H](NC(=O)C(N)=O)CCN1C(=O)Cc1[nH]cc[nH+]1 ZINC000955797538 656902914 /nfs/dbraw/zinc/90/29/14/656902914.db2.gz OCOWEQWLGJGROA-BDAKNGLRSA-N 1 2 293.327 -1.067 20 0 CAADLO C[C@H]1C[C@H](NC(=O)C(N)=O)CCN1C(=O)Cc1[nH]cc[nH+]1 ZINC000955797541 656903188 /nfs/dbraw/zinc/90/31/88/656903188.db2.gz OCOWEQWLGJGROA-DTWKUNHWSA-N 1 2 293.327 -1.067 20 0 CAADLO C[C@H]1C[C@@H](NC(=O)C(N)=O)CCN1C(=O)Cc1[nH]cc[nH+]1 ZINC000955797543 656904047 /nfs/dbraw/zinc/90/40/47/656904047.db2.gz OCOWEQWLGJGROA-IUCAKERBSA-N 1 2 293.327 -1.067 20 0 CAADLO C[C@@H]1C[C@H](NC(=O)Cn2cc[nH+]c2)CCN1C(=O)C(N)=O ZINC000955807757 656905872 /nfs/dbraw/zinc/90/58/72/656905872.db2.gz ZUKFNDUKILDKQG-NXEZZACHSA-N 1 2 293.327 -1.136 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CCC[C@H](NC(=O)c2cnnn2C)C1 ZINC001007251060 656906723 /nfs/dbraw/zinc/90/67/23/656906723.db2.gz PSBYNOOKJSENFX-IUCAKERBSA-N 1 2 280.332 -1.117 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CCC[C@H](NC(=O)c2cnnn2C)C1 ZINC001007251060 656906732 /nfs/dbraw/zinc/90/67/32/656906732.db2.gz PSBYNOOKJSENFX-IUCAKERBSA-N 1 2 280.332 -1.117 20 0 CAADLO C[C@@H]1C[C@@H](NC(=O)Cc2c[nH]c[nH+]2)CCN1C(=O)C(N)=O ZINC000955802066 656907111 /nfs/dbraw/zinc/90/71/11/656907111.db2.gz HPMLZOJNYUKFMD-BDAKNGLRSA-N 1 2 293.327 -1.067 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CCC[C@@H](NC(=O)c2ncn(C)n2)C1 ZINC001007262063 656913832 /nfs/dbraw/zinc/91/38/32/656913832.db2.gz PFWNWZKAISRCST-DTWKUNHWSA-N 1 2 280.332 -1.117 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CCC[C@@H](NC(=O)c2ncn(C)n2)C1 ZINC001007262063 656913840 /nfs/dbraw/zinc/91/38/40/656913840.db2.gz PFWNWZKAISRCST-DTWKUNHWSA-N 1 2 280.332 -1.117 20 0 CAADLO C[C@H](C(=O)N(C)CC(=O)NC1CC1)[NH+]1C[C@@H](O)[C@H](O)C1 ZINC000957057185 656914365 /nfs/dbraw/zinc/91/43/65/656914365.db2.gz XMXOGDJZCSYEGA-FBIMIBRVSA-N 1 2 285.344 -1.851 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2COC(=O)N2)C1 ZINC001007262763 656915301 /nfs/dbraw/zinc/91/53/01/656915301.db2.gz RRBPXNITPJMDRD-YUMQZZPRSA-N 1 2 270.289 -1.839 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2COC(=O)N2)C1 ZINC001007262763 656915315 /nfs/dbraw/zinc/91/53/15/656915315.db2.gz RRBPXNITPJMDRD-YUMQZZPRSA-N 1 2 270.289 -1.839 20 0 CAADLO C[C@H](C(N)=O)N1CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC000957331134 656918205 /nfs/dbraw/zinc/91/82/05/656918205.db2.gz YPMCQQWGLUQHEX-SNVBAGLBSA-N 1 2 279.344 -1.019 20 0 CAADLO CN(CCCNC(=O)C(N)=O)c1[nH+]cnc2c1cnn2C ZINC001095718472 782190377 /nfs/dbraw/zinc/19/03/77/782190377.db2.gz XEKOXSGHOQDZNQ-UHFFFAOYSA-N 1 2 291.315 -1.209 20 0 CAADLO COC(=O)[C@H]1C[C@@H](O)C[N@@H+]1C[C@@H](O)Cn1cccn1 ZINC000249401227 656920824 /nfs/dbraw/zinc/92/08/24/656920824.db2.gz CAIXBOLMXQPNJR-GMTAPVOTSA-N 1 2 269.301 -1.148 20 0 CAADLO COC(=O)[C@H]1C[C@@H](O)C[N@H+]1C[C@@H](O)Cn1cccn1 ZINC000249401227 656920832 /nfs/dbraw/zinc/92/08/32/656920832.db2.gz CAIXBOLMXQPNJR-GMTAPVOTSA-N 1 2 269.301 -1.148 20 0 CAADLO O=C([C@@H]1CCS(=O)(=O)N1)N1CC[NH+](CCO)CC1 ZINC000957688390 656922114 /nfs/dbraw/zinc/92/21/14/656922114.db2.gz QYOZAAGQZIHYAP-VIFPVBQESA-N 1 2 277.346 -2.185 20 0 CAADLO O=C([C@H]1CCS(=O)(=O)N1)N1CC[NH+](CCO)CC1 ZINC000957688389 656922135 /nfs/dbraw/zinc/92/21/35/656922135.db2.gz QYOZAAGQZIHYAP-SECBINFHSA-N 1 2 277.346 -2.185 20 0 CAADLO NC(=O)Cn1cc(C(=O)N2CC[NH+](CCO)CC2)nn1 ZINC000957778253 656923340 /nfs/dbraw/zinc/92/33/40/656923340.db2.gz CCUVRMWRELPSCK-UHFFFAOYSA-N 1 2 282.304 -2.487 20 0 CAADLO CS(=O)(=O)CC[N@H+]1C[C@@H](CNC(=O)C2CC2)[C@H](O)C1 ZINC000957784473 656926825 /nfs/dbraw/zinc/92/68/25/656926825.db2.gz QBPHMQLOBBGJGT-GHMZBOCLSA-N 1 2 290.385 -1.150 20 0 CAADLO CS(=O)(=O)CC[N@@H+]1C[C@@H](CNC(=O)C2CC2)[C@H](O)C1 ZINC000957784473 656926829 /nfs/dbraw/zinc/92/68/29/656926829.db2.gz QBPHMQLOBBGJGT-GHMZBOCLSA-N 1 2 290.385 -1.150 20 0 CAADLO Cc1cc(C(=O)NC[C@H]2C[N@@H+](CC(N)=O)C[C@H]2O)on1 ZINC000957859762 656928545 /nfs/dbraw/zinc/92/85/45/656928545.db2.gz VCBRKXLVKMXWOH-DTWKUNHWSA-N 1 2 282.300 -1.509 20 0 CAADLO Cc1cc(C(=O)NC[C@H]2C[N@H+](CC(N)=O)C[C@H]2O)on1 ZINC000957859762 656928539 /nfs/dbraw/zinc/92/85/39/656928539.db2.gz VCBRKXLVKMXWOH-DTWKUNHWSA-N 1 2 282.300 -1.509 20 0 CAADLO C[C@@H](C(N)=O)N1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC000957895687 656931064 /nfs/dbraw/zinc/93/10/64/656931064.db2.gz AZRBWZNCIBCQKQ-JTQLQIEISA-N 1 2 265.317 -1.099 20 0 CAADLO NC(=O)C[N@H+]1C[C@@H](CNC(=O)c2cnsn2)[C@H](O)C1 ZINC000957890746 656931353 /nfs/dbraw/zinc/93/13/53/656931353.db2.gz RIRHNIHREORKTJ-HTRCEHHLSA-N 1 2 285.329 -1.954 20 0 CAADLO NC(=O)C[N@@H+]1C[C@@H](CNC(=O)c2cnsn2)[C@H](O)C1 ZINC000957890746 656931365 /nfs/dbraw/zinc/93/13/65/656931365.db2.gz RIRHNIHREORKTJ-HTRCEHHLSA-N 1 2 285.329 -1.954 20 0 CAADLO C[C@H](C(N)=O)N1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC000957895693 656931420 /nfs/dbraw/zinc/93/14/20/656931420.db2.gz AZRBWZNCIBCQKQ-SNVBAGLBSA-N 1 2 265.317 -1.099 20 0 CAADLO Cn1nnnc1CN1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC000957899625 656931602 /nfs/dbraw/zinc/93/16/02/656931602.db2.gz GQNYAXSEDSXYLZ-UHFFFAOYSA-N 1 2 290.331 -1.249 20 0 CAADLO NC(=O)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cnsn2)C1 ZINC000957890747 656932334 /nfs/dbraw/zinc/93/23/34/656932334.db2.gz RIRHNIHREORKTJ-POYBYMJQSA-N 1 2 285.329 -1.954 20 0 CAADLO NC(=O)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cnsn2)C1 ZINC000957890747 656932340 /nfs/dbraw/zinc/93/23/40/656932340.db2.gz RIRHNIHREORKTJ-POYBYMJQSA-N 1 2 285.329 -1.954 20 0 CAADLO NC(=O)c1ccnc(C(=O)N2CC[NH+](CCO)CC2)c1 ZINC000957973926 656939593 /nfs/dbraw/zinc/93/95/93/656939593.db2.gz IPJFQPMFXIBGBX-UHFFFAOYSA-N 1 2 278.312 -1.069 20 0 CAADLO Cn1[nH]c(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C(F)F)nc1=O ZINC000958009322 656941242 /nfs/dbraw/zinc/94/12/42/656941242.db2.gz UPEONVDFLPBLCS-BDINMYNLSA-N 1 2 287.270 -1.080 20 0 CAADLO Cn1[nH]c(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C(F)F)nc1=O ZINC000958009322 656941247 /nfs/dbraw/zinc/94/12/47/656941247.db2.gz UPEONVDFLPBLCS-BDINMYNLSA-N 1 2 287.270 -1.080 20 0 CAADLO NC(=O)C[N@H+]1C[C@@H](CNC(=O)c2ncccc2O)[C@H](O)C1 ZINC000957995555 656941478 /nfs/dbraw/zinc/94/14/78/656941478.db2.gz NPKXZLUDWVXKLM-PSASIEDQSA-N 1 2 294.311 -1.705 20 0 CAADLO NC(=O)C[N@@H+]1C[C@@H](CNC(=O)c2ncccc2O)[C@H](O)C1 ZINC000957995555 656941482 /nfs/dbraw/zinc/94/14/82/656941482.db2.gz NPKXZLUDWVXKLM-PSASIEDQSA-N 1 2 294.311 -1.705 20 0 CAADLO O=C(NC[C@@H]1C[N@@H+](CCF)C[C@H]1O)c1cn[nH]n1 ZINC000958207071 656950488 /nfs/dbraw/zinc/95/04/88/656950488.db2.gz QTVZDPROEXYVKE-VXNVDRBHSA-N 1 2 257.269 -1.203 20 0 CAADLO O=C(NC[C@@H]1C[N@H+](CCF)C[C@H]1O)c1cn[nH]n1 ZINC000958207071 656950493 /nfs/dbraw/zinc/95/04/93/656950493.db2.gz QTVZDPROEXYVKE-VXNVDRBHSA-N 1 2 257.269 -1.203 20 0 CAADLO O=C(NC[C@@H]1C[N@@H+](CCF)C[C@H]1O)c1cnn[nH]1 ZINC000958207071 656950504 /nfs/dbraw/zinc/95/05/04/656950504.db2.gz QTVZDPROEXYVKE-VXNVDRBHSA-N 1 2 257.269 -1.203 20 0 CAADLO O=C(NC[C@@H]1C[N@H+](CCF)C[C@H]1O)c1cnn[nH]1 ZINC000958207071 656950510 /nfs/dbraw/zinc/95/05/10/656950510.db2.gz QTVZDPROEXYVKE-VXNVDRBHSA-N 1 2 257.269 -1.203 20 0 CAADLO NC(=O)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2csnn2)C1 ZINC000958288651 656952311 /nfs/dbraw/zinc/95/23/11/656952311.db2.gz OVFCSXBUOJCHKR-SVRRBLITSA-N 1 2 285.329 -1.954 20 0 CAADLO NC(=O)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2csnn2)C1 ZINC000958288651 656952315 /nfs/dbraw/zinc/95/23/15/656952315.db2.gz OVFCSXBUOJCHKR-SVRRBLITSA-N 1 2 285.329 -1.954 20 0 CAADLO NC(=O)C[N@H+]1C[C@@H](CNC(=O)c2csnn2)[C@H](O)C1 ZINC000958288645 656952494 /nfs/dbraw/zinc/95/24/94/656952494.db2.gz OVFCSXBUOJCHKR-HTRCEHHLSA-N 1 2 285.329 -1.954 20 0 CAADLO NC(=O)C[N@@H+]1C[C@@H](CNC(=O)c2csnn2)[C@H](O)C1 ZINC000958288645 656952503 /nfs/dbraw/zinc/95/25/03/656952503.db2.gz OVFCSXBUOJCHKR-HTRCEHHLSA-N 1 2 285.329 -1.954 20 0 CAADLO NC(=O)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cnco2)C1 ZINC000958290917 656952601 /nfs/dbraw/zinc/95/26/01/656952601.db2.gz IPDOILFEOCFJJO-JGVFFNPUSA-N 1 2 268.273 -1.818 20 0 CAADLO NC(=O)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cnco2)C1 ZINC000958290917 656952617 /nfs/dbraw/zinc/95/26/17/656952617.db2.gz IPDOILFEOCFJJO-JGVFFNPUSA-N 1 2 268.273 -1.818 20 0 CAADLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CN(C(=O)C(N)=O)C[C@H]1C ZINC000958342622 656961130 /nfs/dbraw/zinc/96/11/30/656961130.db2.gz IWGALBPEBKBNPK-GMSGAONNSA-N 1 2 293.327 -1.291 20 0 CAADLO O=C(N[C@@H]1[C@H]2C[N@H+](Cc3cnon3)C[C@H]21)[C@H]1CCC(=O)N1 ZINC000958410052 656965788 /nfs/dbraw/zinc/96/57/88/656965788.db2.gz FKCPOVXXGDXQRE-KLBPJQLPSA-N 1 2 291.311 -1.105 20 0 CAADLO O=C(N[C@@H]1[C@H]2C[N@@H+](Cc3cnon3)C[C@H]21)[C@H]1CCC(=O)N1 ZINC000958410052 656965795 /nfs/dbraw/zinc/96/57/95/656965795.db2.gz FKCPOVXXGDXQRE-KLBPJQLPSA-N 1 2 291.311 -1.105 20 0 CAADLO NC(=O)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2cnon2)C1 ZINC000958503831 656971268 /nfs/dbraw/zinc/97/12/68/656971268.db2.gz TUWMDLKDOZUUNF-SVRRBLITSA-N 1 2 269.261 -2.423 20 0 CAADLO NC(=O)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2cnon2)C1 ZINC000958503831 656971282 /nfs/dbraw/zinc/97/12/82/656971282.db2.gz TUWMDLKDOZUUNF-SVRRBLITSA-N 1 2 269.261 -2.423 20 0 CAADLO NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ncccc1O ZINC000958642906 656977717 /nfs/dbraw/zinc/97/77/17/656977717.db2.gz SAMCMTUTLOLACD-VROVMSAKSA-N 1 2 276.296 -1.068 20 0 CAADLO NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ncccc1O ZINC000958642906 656977719 /nfs/dbraw/zinc/97/77/19/656977719.db2.gz SAMCMTUTLOLACD-VROVMSAKSA-N 1 2 276.296 -1.068 20 0 CAADLO Cc1nonc1C(=O)NC[C@H]1C[N@H+](CC(N)=O)C[C@@H]1O ZINC000958749451 656979714 /nfs/dbraw/zinc/97/97/14/656979714.db2.gz WTZQKQNVXHHIGR-YUMQZZPRSA-N 1 2 283.288 -2.114 20 0 CAADLO Cc1nonc1C(=O)NC[C@H]1C[N@@H+](CC(N)=O)C[C@@H]1O ZINC000958749451 656979725 /nfs/dbraw/zinc/97/97/25/656979725.db2.gz WTZQKQNVXHHIGR-YUMQZZPRSA-N 1 2 283.288 -2.114 20 0 CAADLO Cc1nonc1C(=O)NC[C@H]1C[N@H+](CC(N)=O)C[C@H]1O ZINC000958749448 656979779 /nfs/dbraw/zinc/97/97/79/656979779.db2.gz WTZQKQNVXHHIGR-JGVFFNPUSA-N 1 2 283.288 -2.114 20 0 CAADLO Cc1nonc1C(=O)NC[C@H]1C[N@@H+](CC(N)=O)C[C@H]1O ZINC000958749448 656979786 /nfs/dbraw/zinc/97/97/86/656979786.db2.gz WTZQKQNVXHHIGR-JGVFFNPUSA-N 1 2 283.288 -2.114 20 0 CAADLO Cc1nonc1C(=O)NC[C@@H]1C[N@H+](CC(N)=O)C[C@H]1O ZINC000958749444 656980521 /nfs/dbraw/zinc/98/05/21/656980521.db2.gz WTZQKQNVXHHIGR-HTQZYQBOSA-N 1 2 283.288 -2.114 20 0 CAADLO Cc1nonc1C(=O)NC[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1O ZINC000958749444 656980526 /nfs/dbraw/zinc/98/05/26/656980526.db2.gz WTZQKQNVXHHIGR-HTQZYQBOSA-N 1 2 283.288 -2.114 20 0 CAADLO O=C(Cn1ncnn1)N[C@@H]1[C@H]2C[N@H+](Cc3cnon3)C[C@H]21 ZINC000959898780 656989722 /nfs/dbraw/zinc/98/97/22/656989722.db2.gz GFSGSXCWIACCCQ-JZYVYDRUSA-N 1 2 290.287 -1.697 20 0 CAADLO O=C(Cn1ncnn1)N[C@@H]1[C@H]2C[N@@H+](Cc3cnon3)C[C@H]21 ZINC000959898780 656989727 /nfs/dbraw/zinc/98/97/27/656989727.db2.gz GFSGSXCWIACCCQ-JZYVYDRUSA-N 1 2 290.287 -1.697 20 0 CAADLO CC[C@H](C(N)=O)[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC(N)=O ZINC001017430772 656991701 /nfs/dbraw/zinc/99/17/01/656991701.db2.gz SJQCSDKYCJWOQW-KXUCPTDWSA-N 1 2 282.344 -1.199 20 0 CAADLO CC[C@H](C(N)=O)[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC(N)=O ZINC001017430772 656991709 /nfs/dbraw/zinc/99/17/09/656991709.db2.gz SJQCSDKYCJWOQW-KXUCPTDWSA-N 1 2 282.344 -1.199 20 0 CAADLO NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cn[nH]n1 ZINC000960738790 656997576 /nfs/dbraw/zinc/99/75/76/656997576.db2.gz HDYOGFNEUWMTEM-KPCSLPGQSA-N 1 2 250.262 -2.050 20 0 CAADLO NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cn[nH]n1 ZINC000960738790 656997583 /nfs/dbraw/zinc/99/75/83/656997583.db2.gz HDYOGFNEUWMTEM-KPCSLPGQSA-N 1 2 250.262 -2.050 20 0 CAADLO NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnn[nH]1 ZINC000960738790 656997605 /nfs/dbraw/zinc/99/76/05/656997605.db2.gz HDYOGFNEUWMTEM-KPCSLPGQSA-N 1 2 250.262 -2.050 20 0 CAADLO NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnn[nH]1 ZINC000960738790 656997615 /nfs/dbraw/zinc/99/76/15/656997615.db2.gz HDYOGFNEUWMTEM-KPCSLPGQSA-N 1 2 250.262 -2.050 20 0 CAADLO O=C(C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cn[nH]n1)NC1CC1 ZINC000960742915 656998894 /nfs/dbraw/zinc/99/88/94/656998894.db2.gz NHHDHKQOUZKLPB-GDGBQDQQSA-N 1 2 290.327 -1.257 20 0 CAADLO O=C(C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cn[nH]n1)NC1CC1 ZINC000960742915 656998899 /nfs/dbraw/zinc/99/88/99/656998899.db2.gz NHHDHKQOUZKLPB-GDGBQDQQSA-N 1 2 290.327 -1.257 20 0 CAADLO O=C(C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnn[nH]1)NC1CC1 ZINC000960742915 656998903 /nfs/dbraw/zinc/99/89/03/656998903.db2.gz NHHDHKQOUZKLPB-GDGBQDQQSA-N 1 2 290.327 -1.257 20 0 CAADLO O=C(C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnn[nH]1)NC1CC1 ZINC000960742915 656998908 /nfs/dbraw/zinc/99/89/08/656998908.db2.gz NHHDHKQOUZKLPB-GDGBQDQQSA-N 1 2 290.327 -1.257 20 0 CAADLO Cn1ccc(=O)c(C(=O)N[C@@H]2[C@H]3C[N@H+](CC(N)=O)C[C@H]32)c1 ZINC000960983582 657000888 /nfs/dbraw/zinc/00/08/88/657000888.db2.gz UAZATOAMVHYYCX-WOFXILAISA-N 1 2 290.323 -1.469 20 0 CAADLO Cn1ccc(=O)c(C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(N)=O)C[C@H]32)c1 ZINC000960983582 657000892 /nfs/dbraw/zinc/00/08/92/657000892.db2.gz UAZATOAMVHYYCX-WOFXILAISA-N 1 2 290.323 -1.469 20 0 CAADLO O=C(N[C@@H]1[C@H]2C[N@H+](Cc3cnon3)C[C@H]21)[C@@H]1CCNC1=O ZINC000961478923 657006371 /nfs/dbraw/zinc/00/63/71/657006371.db2.gz HUKWQBBXTBQWJH-ZNSHCXBVSA-N 1 2 291.311 -1.248 20 0 CAADLO O=C(N[C@@H]1[C@H]2C[N@@H+](Cc3cnon3)C[C@H]21)[C@@H]1CCNC1=O ZINC000961478923 657006381 /nfs/dbraw/zinc/00/63/81/657006381.db2.gz HUKWQBBXTBQWJH-ZNSHCXBVSA-N 1 2 291.311 -1.248 20 0 CAADLO O=C(N[C@@H]1[C@H]2C[N@H+](Cc3cnon3)C[C@H]21)[C@H]1CCNC1=O ZINC000961478917 657006519 /nfs/dbraw/zinc/00/65/19/657006519.db2.gz HUKWQBBXTBQWJH-UKKRHICBSA-N 1 2 291.311 -1.248 20 0 CAADLO O=C(N[C@@H]1[C@H]2C[N@@H+](Cc3cnon3)C[C@H]21)[C@H]1CCNC1=O ZINC000961478917 657006527 /nfs/dbraw/zinc/00/65/27/657006527.db2.gz HUKWQBBXTBQWJH-UKKRHICBSA-N 1 2 291.311 -1.248 20 0 CAADLO O=C(N[C@@H]1[C@H]2C[N@H+](Cc3cnon3)C[C@H]21)[C@@H]1CNC(=O)N1 ZINC000961627285 657008130 /nfs/dbraw/zinc/00/81/30/657008130.db2.gz JCCNAEYCUJNCBK-QCLAVDOMSA-N 1 2 292.299 -1.703 20 0 CAADLO O=C(N[C@@H]1[C@H]2C[N@@H+](Cc3cnon3)C[C@H]21)[C@@H]1CNC(=O)N1 ZINC000961627285 657008135 /nfs/dbraw/zinc/00/81/35/657008135.db2.gz JCCNAEYCUJNCBK-QCLAVDOMSA-N 1 2 292.299 -1.703 20 0 CAADLO O=C(N[C@@H]1[C@H]2C[N@H+](Cc3ccon3)C[C@H]21)[C@H]1CNC(=O)N1 ZINC000961632707 657008153 /nfs/dbraw/zinc/00/81/53/657008153.db2.gz WHRPLMICEKBDSD-YTWAJWBKSA-N 1 2 291.311 -1.098 20 0 CAADLO O=C(N[C@@H]1[C@H]2C[N@@H+](Cc3ccon3)C[C@H]21)[C@H]1CNC(=O)N1 ZINC000961632707 657008156 /nfs/dbraw/zinc/00/81/56/657008156.db2.gz WHRPLMICEKBDSD-YTWAJWBKSA-N 1 2 291.311 -1.098 20 0 CAADLO Cn1ncc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C(N)=O)n1 ZINC000961634613 657008228 /nfs/dbraw/zinc/00/82/28/657008228.db2.gz CNZZSTSWYVKJNR-BRPSZJMVSA-N 1 2 264.289 -2.153 20 0 CAADLO Cn1ncc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C(N)=O)n1 ZINC000961634613 657008235 /nfs/dbraw/zinc/00/82/35/657008235.db2.gz CNZZSTSWYVKJNR-BRPSZJMVSA-N 1 2 264.289 -2.153 20 0 CAADLO NC(=O)C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3nnc(C4CC4)o3)C[C@H]21 ZINC000961639391 657008927 /nfs/dbraw/zinc/00/89/27/657008927.db2.gz NHOSFNUIOLQADU-MBTKJCJQSA-N 1 2 291.311 -1.021 20 0 CAADLO NC(=O)C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3nnc(C4CC4)o3)C[C@H]21 ZINC000961639391 657008932 /nfs/dbraw/zinc/00/89/32/657008932.db2.gz NHOSFNUIOLQADU-MBTKJCJQSA-N 1 2 291.311 -1.021 20 0 CAADLO CS(=O)(=O)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(N)=O ZINC000961635804 657008946 /nfs/dbraw/zinc/00/89/46/657008946.db2.gz GMJRPXSXSFCRLP-JIGDXULJSA-N 1 2 275.330 -2.437 20 0 CAADLO CS(=O)(=O)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(N)=O ZINC000961635804 657008950 /nfs/dbraw/zinc/00/89/50/657008950.db2.gz GMJRPXSXSFCRLP-JIGDXULJSA-N 1 2 275.330 -2.437 20 0 CAADLO Cc1nnc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C(N)=O)o1 ZINC000961643547 657009344 /nfs/dbraw/zinc/00/93/44/657009344.db2.gz WVQGKBMORVRNHM-QMSLJYSESA-N 1 2 265.273 -1.590 20 0 CAADLO Cc1nnc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C(N)=O)o1 ZINC000961643547 657009353 /nfs/dbraw/zinc/00/93/53/657009353.db2.gz WVQGKBMORVRNHM-QMSLJYSESA-N 1 2 265.273 -1.590 20 0 CAADLO NC(=O)C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cnon3)C[C@H]21 ZINC000961646439 657009438 /nfs/dbraw/zinc/00/94/38/657009438.db2.gz IARCMRSLOGLLEJ-JIGDXULJSA-N 1 2 251.246 -1.899 20 0 CAADLO NC(=O)C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cnon3)C[C@H]21 ZINC000961646439 657009445 /nfs/dbraw/zinc/00/94/45/657009445.db2.gz IARCMRSLOGLLEJ-JIGDXULJSA-N 1 2 251.246 -1.899 20 0 CAADLO C[C@@H](c1nnnn1C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(N)=O ZINC000961646646 657009887 /nfs/dbraw/zinc/00/98/87/657009887.db2.gz JPRREWGEOOKFEK-RULNZFCNSA-N 1 2 279.304 -2.197 20 0 CAADLO C[C@@H](c1nnnn1C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(N)=O ZINC000961646646 657009893 /nfs/dbraw/zinc/00/98/93/657009893.db2.gz JPRREWGEOOKFEK-RULNZFCNSA-N 1 2 279.304 -2.197 20 0 CAADLO Cc1nnc([C@@H](C)[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C(N)=O)o1 ZINC000961654455 657010161 /nfs/dbraw/zinc/01/01/61/657010161.db2.gz DSFZYMVJFVFOOT-ZLNHGNLKSA-N 1 2 279.300 -1.029 20 0 CAADLO Cc1nnc([C@@H](C)[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C(N)=O)o1 ZINC000961654455 657010166 /nfs/dbraw/zinc/01/01/66/657010166.db2.gz DSFZYMVJFVFOOT-ZLNHGNLKSA-N 1 2 279.300 -1.029 20 0 CAADLO Cc1nnc([C@@H](C)[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C(N)=O)[nH]1 ZINC000961651448 657010183 /nfs/dbraw/zinc/01/01/83/657010183.db2.gz VMPUSPXHMUVHQW-ZLNHGNLKSA-N 1 2 278.316 -1.294 20 0 CAADLO Cc1nnc([C@@H](C)[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C(N)=O)[nH]1 ZINC000961651448 657010193 /nfs/dbraw/zinc/01/01/93/657010193.db2.gz VMPUSPXHMUVHQW-ZLNHGNLKSA-N 1 2 278.316 -1.294 20 0 CAADLO Cc1cnc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C(N)=O)nc1 ZINC000961648919 657010280 /nfs/dbraw/zinc/01/02/80/657010280.db2.gz NWAZDRWQFAYYAX-JZYVYDRUSA-N 1 2 275.312 -1.183 20 0 CAADLO Cc1cnc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C(N)=O)nc1 ZINC000961648919 657010286 /nfs/dbraw/zinc/01/02/86/657010286.db2.gz NWAZDRWQFAYYAX-JZYVYDRUSA-N 1 2 275.312 -1.183 20 0 CAADLO NC(=O)C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cnns3)C[C@H]21 ZINC000961648925 657010314 /nfs/dbraw/zinc/01/03/14/657010314.db2.gz NYGUHNLJVVLBHX-JIGDXULJSA-N 1 2 267.314 -1.430 20 0 CAADLO NC(=O)C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cnns3)C[C@H]21 ZINC000961648925 657010320 /nfs/dbraw/zinc/01/03/20/657010320.db2.gz NYGUHNLJVVLBHX-JIGDXULJSA-N 1 2 267.314 -1.430 20 0 CAADLO Cn1nnc(C[NH2+]CC2CC(NC(=O)c3cn[nH]n3)C2)n1 ZINC000962027765 657014114 /nfs/dbraw/zinc/01/41/14/657014114.db2.gz CDGMARLHJQKWLX-UHFFFAOYSA-N 1 2 291.319 -1.374 20 0 CAADLO Cn1nnnc1C[NH2+]CC1CC(NC(=O)c2cnn[nH]2)C1 ZINC000962029587 657014231 /nfs/dbraw/zinc/01/42/31/657014231.db2.gz PBRNYSUCMUHUMZ-UHFFFAOYSA-N 1 2 291.319 -1.374 20 0 CAADLO O=C(C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1nnc[nH]1)N1CCC1 ZINC000962070357 657015187 /nfs/dbraw/zinc/01/51/87/657015187.db2.gz BBPCQFJMRQWAHV-JZYVYDRUSA-N 1 2 290.327 -1.303 20 0 CAADLO O=C(C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1nnc[nH]1)N1CCC1 ZINC000962070357 657015194 /nfs/dbraw/zinc/01/51/94/657015194.db2.gz BBPCQFJMRQWAHV-JZYVYDRUSA-N 1 2 290.327 -1.303 20 0 CAADLO O=C(C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ncn[nH]1)N1CCC1 ZINC000962070357 657015199 /nfs/dbraw/zinc/01/51/99/657015199.db2.gz BBPCQFJMRQWAHV-JZYVYDRUSA-N 1 2 290.327 -1.303 20 0 CAADLO O=C(C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ncn[nH]1)N1CCC1 ZINC000962070357 657015204 /nfs/dbraw/zinc/01/52/04/657015204.db2.gz BBPCQFJMRQWAHV-JZYVYDRUSA-N 1 2 290.327 -1.303 20 0 CAADLO O=C(C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1nnc[nH]1)NC1CC1 ZINC000962084127 657016141 /nfs/dbraw/zinc/01/61/41/657016141.db2.gz MHRDZCRZUGIAJC-JZYVYDRUSA-N 1 2 290.327 -1.257 20 0 CAADLO O=C(C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1nnc[nH]1)NC1CC1 ZINC000962084127 657016150 /nfs/dbraw/zinc/01/61/50/657016150.db2.gz MHRDZCRZUGIAJC-JZYVYDRUSA-N 1 2 290.327 -1.257 20 0 CAADLO O=C(C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ncn[nH]1)NC1CC1 ZINC000962084127 657016154 /nfs/dbraw/zinc/01/61/54/657016154.db2.gz MHRDZCRZUGIAJC-JZYVYDRUSA-N 1 2 290.327 -1.257 20 0 CAADLO O=C(C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ncn[nH]1)NC1CC1 ZINC000962084127 657016158 /nfs/dbraw/zinc/01/61/58/657016158.db2.gz MHRDZCRZUGIAJC-JZYVYDRUSA-N 1 2 290.327 -1.257 20 0 CAADLO NC(=O)C(=O)N1C[C@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]2C1 ZINC000962213031 657017678 /nfs/dbraw/zinc/01/76/78/657017678.db2.gz YJUGJUBRYWHJOX-DTORHVGOSA-N 1 2 291.311 -1.646 20 0 CAADLO Cn1nnnc1C[NH2+]CC1CC(NC(=O)c2ncn[nH]2)C1 ZINC000962433881 657020892 /nfs/dbraw/zinc/02/08/92/657020892.db2.gz BKYWTLBBNLAFIZ-UHFFFAOYSA-N 1 2 291.319 -1.374 20 0 CAADLO Cn1nnnc1C[NH2+]CC1CC(NC(=O)c2nc[nH]n2)C1 ZINC000962433881 657020893 /nfs/dbraw/zinc/02/08/93/657020893.db2.gz BKYWTLBBNLAFIZ-UHFFFAOYSA-N 1 2 291.319 -1.374 20 0 CAADLO NC(=O)C(=O)N1CCC[C@H](NC(=O)Cn2cc[nH+]c2)CC1 ZINC000964985871 657030699 /nfs/dbraw/zinc/03/06/99/657030699.db2.gz FGQYMDOAJXKQJY-JTQLQIEISA-N 1 2 293.327 -1.134 20 0 CAADLO C[C@@H]1CC[N@H+](CC(N)=O)C[C@H]1NC(=O)Cn1cnnn1 ZINC000964969564 657031088 /nfs/dbraw/zinc/03/10/88/657031088.db2.gz UOXCXXZVNYQAHM-RKDXNWHRSA-N 1 2 281.320 -2.015 20 0 CAADLO C[C@@H]1CC[N@@H+](CC(N)=O)C[C@H]1NC(=O)Cn1cnnn1 ZINC000964969564 657031090 /nfs/dbraw/zinc/03/10/90/657031090.db2.gz UOXCXXZVNYQAHM-RKDXNWHRSA-N 1 2 281.320 -2.015 20 0 CAADLO C[C@H]1CC[N@H+](CC(N)=O)C[C@@H]1NC(=O)Cn1cnnn1 ZINC000964969563 657031331 /nfs/dbraw/zinc/03/13/31/657031331.db2.gz UOXCXXZVNYQAHM-IUCAKERBSA-N 1 2 281.320 -2.015 20 0 CAADLO C[C@H]1CC[N@@H+](CC(N)=O)C[C@@H]1NC(=O)Cn1cnnn1 ZINC000964969563 657031338 /nfs/dbraw/zinc/03/13/38/657031338.db2.gz UOXCXXZVNYQAHM-IUCAKERBSA-N 1 2 281.320 -2.015 20 0 CAADLO NC(=O)C(=O)N[C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000965151200 657032319 /nfs/dbraw/zinc/03/23/19/657032319.db2.gz PTQQWHCNCALESO-VIFPVBQESA-N 1 2 293.327 -1.065 20 0 CAADLO CC(=O)N1CC(C(=O)N[C@@H]2CCC[N@H+](CC(N)=O)C2)C1 ZINC001007206611 657032568 /nfs/dbraw/zinc/03/25/68/657032568.db2.gz WFGJSNDYGDFQBH-LLVKDONJSA-N 1 2 282.344 -1.469 20 0 CAADLO CC(=O)N1CC(C(=O)N[C@@H]2CCC[N@@H+](CC(N)=O)C2)C1 ZINC001007206611 657032572 /nfs/dbraw/zinc/03/25/72/657032572.db2.gz WFGJSNDYGDFQBH-LLVKDONJSA-N 1 2 282.344 -1.469 20 0 CAADLO CC(=O)N1CC(C(=O)N[C@H]2CCC[N@H+](CC(N)=O)C2)C1 ZINC001007206614 657033613 /nfs/dbraw/zinc/03/36/13/657033613.db2.gz WFGJSNDYGDFQBH-NSHDSACASA-N 1 2 282.344 -1.469 20 0 CAADLO CC(=O)N1CC(C(=O)N[C@H]2CCC[N@@H+](CC(N)=O)C2)C1 ZINC001007206614 657033616 /nfs/dbraw/zinc/03/36/16/657033616.db2.gz WFGJSNDYGDFQBH-NSHDSACASA-N 1 2 282.344 -1.469 20 0 CAADLO Cc1nnc(CC(=O)N[C@@H]2C[N@@H+](CC(N)=O)CC[C@H]2C)[nH]1 ZINC000965999528 657035720 /nfs/dbraw/zinc/03/57/20/657035720.db2.gz DLNDJYYVHSAFLU-PSASIEDQSA-N 1 2 294.359 -1.032 20 0 CAADLO Cc1nnc(CC(=O)N[C@@H]2C[N@H+](CC(N)=O)CC[C@H]2C)[nH]1 ZINC000965999528 657035726 /nfs/dbraw/zinc/03/57/26/657035726.db2.gz DLNDJYYVHSAFLU-PSASIEDQSA-N 1 2 294.359 -1.032 20 0 CAADLO C[C@H]1CC[N@H+](CC(N)=O)C[C@@H]1NC(=O)c1cn(C)nn1 ZINC000965985372 657036113 /nfs/dbraw/zinc/03/61/13/657036113.db2.gz OXCZDXBDLYFXTQ-IUCAKERBSA-N 1 2 280.332 -1.259 20 0 CAADLO C[C@H]1CC[N@@H+](CC(N)=O)C[C@@H]1NC(=O)c1cn(C)nn1 ZINC000965985372 657036123 /nfs/dbraw/zinc/03/61/23/657036123.db2.gz OXCZDXBDLYFXTQ-IUCAKERBSA-N 1 2 280.332 -1.259 20 0 CAADLO C[C@H]1CC[N@H+](CC(N)=O)C[C@@H]1NC(=O)c1ncn(C)n1 ZINC000965996799 657036480 /nfs/dbraw/zinc/03/64/80/657036480.db2.gz SVDQMAHXTNAJJR-IUCAKERBSA-N 1 2 280.332 -1.259 20 0 CAADLO C[C@H]1CC[N@@H+](CC(N)=O)C[C@@H]1NC(=O)c1ncn(C)n1 ZINC000965996799 657036486 /nfs/dbraw/zinc/03/64/86/657036486.db2.gz SVDQMAHXTNAJJR-IUCAKERBSA-N 1 2 280.332 -1.259 20 0 CAADLO C[C@H]1CN(C(=O)CC(N)=O)C[C@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC000966281338 657039634 /nfs/dbraw/zinc/03/96/34/657039634.db2.gz VOGSSJOHVOPIPP-DTWKUNHWSA-N 1 2 293.327 -1.209 20 0 CAADLO C[C@@H]1CC[N@H+](CC(N)=O)C[C@H]1NC(=O)Cn1nccn1 ZINC000966419800 657040625 /nfs/dbraw/zinc/04/06/25/657040625.db2.gz IGKKQISMEKWZMW-NXEZZACHSA-N 1 2 280.332 -1.410 20 0 CAADLO C[C@@H]1CC[N@@H+](CC(N)=O)C[C@H]1NC(=O)Cn1nccn1 ZINC000966419800 657040632 /nfs/dbraw/zinc/04/06/32/657040632.db2.gz IGKKQISMEKWZMW-NXEZZACHSA-N 1 2 280.332 -1.410 20 0 CAADLO C[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@@H]1NC(=O)C(N)=O ZINC000966521166 657041285 /nfs/dbraw/zinc/04/12/85/657041285.db2.gz XYMZVHLZUBJCJS-SCZZXKLOSA-N 1 2 293.327 -1.209 20 0 CAADLO C[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@@H]1NC(=O)C(N)=O ZINC000966521166 657041289 /nfs/dbraw/zinc/04/12/89/657041289.db2.gz XYMZVHLZUBJCJS-SCZZXKLOSA-N 1 2 293.327 -1.209 20 0 CAADLO Cc1[nH+]c[nH]c1CC(=O)N1C[C@H](C)[C@H](NC(=O)C(N)=O)C1 ZINC000966655150 657041762 /nfs/dbraw/zinc/04/17/62/657041762.db2.gz XSLPADJBCHONHB-OIBJUYFYSA-N 1 2 293.327 -1.291 20 0 CAADLO C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1NC(=O)C(N)=O ZINC000966550561 657042113 /nfs/dbraw/zinc/04/21/13/657042113.db2.gz IFKYWYYBORFFFI-BDAKNGLRSA-N 1 2 279.300 -1.669 20 0 CAADLO C[C@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@@H]1NC(=O)C(N)=O ZINC000966633892 657042170 /nfs/dbraw/zinc/04/21/70/657042170.db2.gz FZFPDGAIRQUXTC-UWVGGRQHSA-N 1 2 293.327 -1.278 20 0 CAADLO C[C@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@@H]1NC(=O)C(N)=O ZINC000966610808 657042321 /nfs/dbraw/zinc/04/23/21/657042321.db2.gz QJOGZAKTXPQXDW-WPRPVWTQSA-N 1 2 293.327 -1.589 20 0 CAADLO C[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1NC(=O)C(N)=O ZINC000966749583 657045009 /nfs/dbraw/zinc/04/50/09/657045009.db2.gz PBYCVOINLMHEQU-YUMQZZPRSA-N 1 2 279.300 -1.599 20 0 CAADLO C[C@@H]1CN(C(=O)C(N)=O)C[C@@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC000966758053 657045037 /nfs/dbraw/zinc/04/50/37/657045037.db2.gz XEJRWWXPUHNRGA-SFYZADRCSA-N 1 2 279.300 -1.599 20 0 CAADLO C[C@H]1CN(C(=O)C(N)=O)C[C@@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC000966758055 657045582 /nfs/dbraw/zinc/04/55/82/657045582.db2.gz XEJRWWXPUHNRGA-YUMQZZPRSA-N 1 2 279.300 -1.599 20 0 CAADLO C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1NC(=O)C(N)=O ZINC000966869429 657047581 /nfs/dbraw/zinc/04/75/81/657047581.db2.gz SPIKBQQDBVDBMN-CBAPKCEASA-N 1 2 279.300 -1.599 20 0 CAADLO Cc1noc(C[NH2+][C@@H]2CCN(C(=O)Cn3cnnn3)C2)n1 ZINC000966888946 657047663 /nfs/dbraw/zinc/04/76/63/657047663.db2.gz IBBCROUVBMIBPD-SECBINFHSA-N 1 2 292.303 -1.245 20 0 CAADLO C[C@H]1CC[N@H+](CC(N)=O)C[C@@H]1NC(=O)c1c[nH]c(=O)cn1 ZINC000968079493 657050272 /nfs/dbraw/zinc/05/02/72/657050272.db2.gz NOFFIQMMAZUDLD-WPRPVWTQSA-N 1 2 293.327 -1.305 20 0 CAADLO C[C@H]1CC[N@@H+](CC(N)=O)C[C@@H]1NC(=O)c1c[nH]c(=O)cn1 ZINC000968079493 657050278 /nfs/dbraw/zinc/05/02/78/657050278.db2.gz NOFFIQMMAZUDLD-WPRPVWTQSA-N 1 2 293.327 -1.305 20 0 CAADLO C[C@@H]1CC[N@H+](CC(=O)N(C)C)C[C@@H]1NC(=O)C(N)=O ZINC000968132206 657052178 /nfs/dbraw/zinc/05/21/78/657052178.db2.gz PERSZBPUZKKRSQ-BDAKNGLRSA-N 1 2 270.333 -1.614 20 0 CAADLO C[C@@H]1CC[N@@H+](CC(=O)N(C)C)C[C@@H]1NC(=O)C(N)=O ZINC000968132206 657052186 /nfs/dbraw/zinc/05/21/86/657052186.db2.gz PERSZBPUZKKRSQ-BDAKNGLRSA-N 1 2 270.333 -1.614 20 0 CAADLO C[C@H]1CC[N@H+](CC(=O)N2CCC2)C[C@@H]1NC(=O)C(N)=O ZINC000968133148 657052308 /nfs/dbraw/zinc/05/23/08/657052308.db2.gz SOCGLEPUIKNSBG-UWVGGRQHSA-N 1 2 282.344 -1.469 20 0 CAADLO C[C@H]1CC[N@@H+](CC(=O)N2CCC2)C[C@@H]1NC(=O)C(N)=O ZINC000968133148 657052312 /nfs/dbraw/zinc/05/23/12/657052312.db2.gz SOCGLEPUIKNSBG-UWVGGRQHSA-N 1 2 282.344 -1.469 20 0 CAADLO C[C@@H]1CC[N@H+](CC(=O)NC2CC2)C[C@@H]1NC(=O)C(N)=O ZINC000968133588 657052355 /nfs/dbraw/zinc/05/23/55/657052355.db2.gz UNINKSWDNQVSBY-SCZZXKLOSA-N 1 2 282.344 -1.423 20 0 CAADLO C[C@@H]1CC[N@@H+](CC(=O)NC2CC2)C[C@@H]1NC(=O)C(N)=O ZINC000968133588 657052358 /nfs/dbraw/zinc/05/23/58/657052358.db2.gz UNINKSWDNQVSBY-SCZZXKLOSA-N 1 2 282.344 -1.423 20 0 CAADLO C[C@H]1CC[N@H+](CC(=O)N2CCCC2)C[C@H]1NC(=O)C(N)=O ZINC000968129660 657052497 /nfs/dbraw/zinc/05/24/97/657052497.db2.gz JJAFLICAHDULKK-WDEREUQCSA-N 1 2 296.371 -1.079 20 0 CAADLO C[C@H]1CC[N@@H+](CC(=O)N2CCCC2)C[C@H]1NC(=O)C(N)=O ZINC000968129660 657052499 /nfs/dbraw/zinc/05/24/99/657052499.db2.gz JJAFLICAHDULKK-WDEREUQCSA-N 1 2 296.371 -1.079 20 0 CAADLO Cn1[nH]c(C[NH2+][C@@H]2CCN(C(=O)CC(C)(C)O)C2)nc1=O ZINC000968535278 657054780 /nfs/dbraw/zinc/05/47/80/657054780.db2.gz YVSLISMJIQBPBR-SECBINFHSA-N 1 2 297.359 -1.040 20 0 CAADLO C[C@H]1CC[N@H+](CC(N)=O)C[C@H]1NC(=O)Cn1cncn1 ZINC000968614875 657055635 /nfs/dbraw/zinc/05/56/35/657055635.db2.gz OQBRCMSGQDHVMR-VHSXEESVSA-N 1 2 280.332 -1.410 20 0 CAADLO C[C@H]1CC[N@@H+](CC(N)=O)C[C@H]1NC(=O)Cn1cncn1 ZINC000968614875 657055641 /nfs/dbraw/zinc/05/56/41/657055641.db2.gz OQBRCMSGQDHVMR-VHSXEESVSA-N 1 2 280.332 -1.410 20 0 CAADLO C[C@H]1CC[N@H+](CC(N)=O)C[C@@H]1NC(=O)Cn1cncn1 ZINC000968614874 657056102 /nfs/dbraw/zinc/05/61/02/657056102.db2.gz OQBRCMSGQDHVMR-UWVGGRQHSA-N 1 2 280.332 -1.410 20 0 CAADLO C[C@H]1CC[N@@H+](CC(N)=O)C[C@@H]1NC(=O)Cn1cncn1 ZINC000968614874 657056106 /nfs/dbraw/zinc/05/61/06/657056106.db2.gz OQBRCMSGQDHVMR-UWVGGRQHSA-N 1 2 280.332 -1.410 20 0 CAADLO Cn1[nH]c(C[NH2+][C@@H]2CCN(C(=O)c3ncc[nH]3)C2)nc1=O ZINC000968614559 657056161 /nfs/dbraw/zinc/05/61/61/657056161.db2.gz WCFVPHLTDHTKRU-MRVPVSSYSA-N 1 2 291.315 -1.164 20 0 CAADLO C[C@@H]1CC[N@H+](CC(N)=O)C[C@H]1NC(=O)Cn1cncn1 ZINC000968614873 657056191 /nfs/dbraw/zinc/05/61/91/657056191.db2.gz OQBRCMSGQDHVMR-NXEZZACHSA-N 1 2 280.332 -1.410 20 0 CAADLO C[C@@H]1CC[N@@H+](CC(N)=O)C[C@H]1NC(=O)Cn1cncn1 ZINC000968614873 657056194 /nfs/dbraw/zinc/05/61/94/657056194.db2.gz OQBRCMSGQDHVMR-NXEZZACHSA-N 1 2 280.332 -1.410 20 0 CAADLO O=C(Cn1ncnn1)N1CC[C@@H]([NH2+]Cc2cnsn2)C1 ZINC000968683564 657057364 /nfs/dbraw/zinc/05/73/64/657057364.db2.gz QTIKGBCJCQUGRY-MRVPVSSYSA-N 1 2 294.344 -1.085 20 0 CAADLO CC(=O)N1CC(C(=O)N[C@H]2CCC[N@@H+]([C@H](C)C(N)=O)C2)C1 ZINC001007223265 657057629 /nfs/dbraw/zinc/05/76/29/657057629.db2.gz USWFSSLTPVEKPY-SKDRFNHKSA-N 1 2 296.371 -1.081 20 0 CAADLO CC(=O)N1CC(C(=O)N[C@H]2CCC[N@H+]([C@H](C)C(N)=O)C2)C1 ZINC001007223265 657057635 /nfs/dbraw/zinc/05/76/35/657057635.db2.gz USWFSSLTPVEKPY-SKDRFNHKSA-N 1 2 296.371 -1.081 20 0 CAADLO Cn1nnc(C(=O)NC[C@H]2CCCCC[N@@H+]2CC(N)=O)n1 ZINC000968990527 657058936 /nfs/dbraw/zinc/05/89/36/657058936.db2.gz GGKYUJWZBLZBJI-SECBINFHSA-N 1 2 295.347 -1.330 20 0 CAADLO Cn1nnc(C(=O)NC[C@H]2CCCCC[N@H+]2CC(N)=O)n1 ZINC000968990527 657058945 /nfs/dbraw/zinc/05/89/45/657058945.db2.gz GGKYUJWZBLZBJI-SECBINFHSA-N 1 2 295.347 -1.330 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@H](NC(=O)C2=COCCO2)C1 ZINC001006649461 657060079 /nfs/dbraw/zinc/06/00/79/657060079.db2.gz GNOMWYOEXAJJMS-VIFPVBQESA-N 1 2 269.301 -1.060 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@H](NC(=O)C2=COCCO2)C1 ZINC001006649461 657060084 /nfs/dbraw/zinc/06/00/84/657060084.db2.gz GNOMWYOEXAJJMS-VIFPVBQESA-N 1 2 269.301 -1.060 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@@H](NC(=O)C2=COCCO2)C1 ZINC001006649458 657060998 /nfs/dbraw/zinc/06/09/98/657060998.db2.gz GNOMWYOEXAJJMS-SECBINFHSA-N 1 2 269.301 -1.060 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@@H](NC(=O)C2=COCCO2)C1 ZINC001006649458 657061000 /nfs/dbraw/zinc/06/10/00/657061000.db2.gz GNOMWYOEXAJJMS-SECBINFHSA-N 1 2 269.301 -1.060 20 0 CAADLO CNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)CN2CN=NC2=O)C1 ZINC001007153525 657061459 /nfs/dbraw/zinc/06/14/59/657061459.db2.gz WDPVSTNTFQKVDM-SECBINFHSA-N 1 2 296.331 -1.690 20 0 CAADLO CNC(=O)C[N@H+]1CCC[C@@H](NC(=O)CN2CN=NC2=O)C1 ZINC001007153525 657061463 /nfs/dbraw/zinc/06/14/63/657061463.db2.gz WDPVSTNTFQKVDM-SECBINFHSA-N 1 2 296.331 -1.690 20 0 CAADLO CNC(=O)C[N@@H+]1CCC[C@H](NC(=O)c2nccnc2N)C1 ZINC001006942347 657061700 /nfs/dbraw/zinc/06/17/00/657061700.db2.gz AWLKZMZOQOZSMN-VIFPVBQESA-N 1 2 292.343 -1.001 20 0 CAADLO CNC(=O)C[N@H+]1CCC[C@H](NC(=O)c2nccnc2N)C1 ZINC001006942347 657061708 /nfs/dbraw/zinc/06/17/08/657061708.db2.gz AWLKZMZOQOZSMN-VIFPVBQESA-N 1 2 292.343 -1.001 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@@H](NC(=O)Cn2cccn2)C1 ZINC001006743090 657061749 /nfs/dbraw/zinc/06/17/49/657061749.db2.gz ASKPVWXCGQJXKH-SNVBAGLBSA-N 1 2 265.317 -1.051 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@@H](NC(=O)Cn2cccn2)C1 ZINC001006743090 657061753 /nfs/dbraw/zinc/06/17/53/657061753.db2.gz ASKPVWXCGQJXKH-SNVBAGLBSA-N 1 2 265.317 -1.051 20 0 CAADLO CNC(=O)CN1CCC[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001007005395 657062122 /nfs/dbraw/zinc/06/21/22/657062122.db2.gz XHARHUVQKHRQAB-NEPJUHHUSA-N 1 2 298.387 -1.356 20 0 CAADLO CNC(=O)CN1CCC[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001007005395 657062127 /nfs/dbraw/zinc/06/21/27/657062127.db2.gz XHARHUVQKHRQAB-NEPJUHHUSA-N 1 2 298.387 -1.356 20 0 CAADLO CNC(=O)C[N@@H+]1CCC[C@H](NC(=O)CN2CN=NC2=O)C1 ZINC001007153527 657062149 /nfs/dbraw/zinc/06/21/49/657062149.db2.gz WDPVSTNTFQKVDM-VIFPVBQESA-N 1 2 296.331 -1.690 20 0 CAADLO CNC(=O)C[N@H+]1CCC[C@H](NC(=O)CN2CN=NC2=O)C1 ZINC001007153527 657062152 /nfs/dbraw/zinc/06/21/52/657062152.db2.gz WDPVSTNTFQKVDM-VIFPVBQESA-N 1 2 296.331 -1.690 20 0 CAADLO CNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCC(=O)N2)C1 ZINC001006922321 657062175 /nfs/dbraw/zinc/06/21/75/657062175.db2.gz ZJBDGLNIVARLHP-NXEZZACHSA-N 1 2 282.344 -1.408 20 0 CAADLO CNC(=O)C[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCC(=O)N2)C1 ZINC001006922321 657062177 /nfs/dbraw/zinc/06/21/77/657062177.db2.gz ZJBDGLNIVARLHP-NXEZZACHSA-N 1 2 282.344 -1.408 20 0 CAADLO Cc1nnc(CC(=O)N[C@@H]2CCC[N@H+](CC(N)=O)C2)[nH]1 ZINC001007309288 657062631 /nfs/dbraw/zinc/06/26/31/657062631.db2.gz VQAVWXVUCAMENY-SECBINFHSA-N 1 2 280.332 -1.278 20 0 CAADLO Cc1nnc(CC(=O)N[C@@H]2CCC[N@@H+](CC(N)=O)C2)[nH]1 ZINC001007309288 657062637 /nfs/dbraw/zinc/06/26/37/657062637.db2.gz VQAVWXVUCAMENY-SECBINFHSA-N 1 2 280.332 -1.278 20 0 CAADLO C[C@H](C(=O)N[C@@H]1CCC[N@H+](CC(N)=O)C1)n1cncn1 ZINC001007165372 657062685 /nfs/dbraw/zinc/06/26/85/657062685.db2.gz RAEYHLGNNSIGBO-NXEZZACHSA-N 1 2 280.332 -1.095 20 0 CAADLO C[C@H](C(=O)N[C@@H]1CCC[N@@H+](CC(N)=O)C1)n1cncn1 ZINC001007165372 657062691 /nfs/dbraw/zinc/06/26/91/657062691.db2.gz RAEYHLGNNSIGBO-NXEZZACHSA-N 1 2 280.332 -1.095 20 0 CAADLO CNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)Cn2ncnn2)C1 ZINC001007341337 657062712 /nfs/dbraw/zinc/06/27/12/657062712.db2.gz ZNOAQQPJFQESDS-SECBINFHSA-N 1 2 281.320 -2.000 20 0 CAADLO CNC(=O)C[N@H+]1CCC[C@@H](NC(=O)Cn2ncnn2)C1 ZINC001007341337 657062714 /nfs/dbraw/zinc/06/27/14/657062714.db2.gz ZNOAQQPJFQESDS-SECBINFHSA-N 1 2 281.320 -2.000 20 0 CAADLO Cn1nncc1C(=O)N[C@@H]1CCC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001007240824 657063023 /nfs/dbraw/zinc/06/30/23/657063023.db2.gz CZIGZDMCDACGRF-NXEZZACHSA-N 1 2 292.343 -1.102 20 0 CAADLO Cn1nncc1C(=O)N[C@@H]1CCC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001007240824 657063027 /nfs/dbraw/zinc/06/30/27/657063027.db2.gz CZIGZDMCDACGRF-NXEZZACHSA-N 1 2 292.343 -1.102 20 0 CAADLO CNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)c2cnn(C)c2N)C1 ZINC001007173564 657063052 /nfs/dbraw/zinc/06/30/52/657063052.db2.gz LQROEDZZSVQAIB-SECBINFHSA-N 1 2 294.359 -1.058 20 0 CAADLO CNC(=O)C[N@H+]1CCC[C@@H](NC(=O)c2cnn(C)c2N)C1 ZINC001007173564 657063056 /nfs/dbraw/zinc/06/30/56/657063056.db2.gz LQROEDZZSVQAIB-SECBINFHSA-N 1 2 294.359 -1.058 20 0 CAADLO Cn1cnc(C(=O)N[C@@H]2CCC[N@@H+]([C@H]3CCNC3=O)C2)n1 ZINC001007272721 657063228 /nfs/dbraw/zinc/06/32/28/657063228.db2.gz LHXYQUJHHACMLQ-ZJUUUORDSA-N 1 2 292.343 -1.102 20 0 CAADLO Cn1cnc(C(=O)N[C@@H]2CCC[N@H+]([C@H]3CCNC3=O)C2)n1 ZINC001007272721 657063233 /nfs/dbraw/zinc/06/32/33/657063233.db2.gz LHXYQUJHHACMLQ-ZJUUUORDSA-N 1 2 292.343 -1.102 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@@H](NC(=O)Cn2ncnn2)C1 ZINC001007346070 657063372 /nfs/dbraw/zinc/06/33/72/657063372.db2.gz SPOAFDJDLHCFRU-MRVPVSSYSA-N 1 2 267.293 -2.261 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@@H](NC(=O)Cn2ncnn2)C1 ZINC001007346070 657063379 /nfs/dbraw/zinc/06/33/79/657063379.db2.gz SPOAFDJDLHCFRU-MRVPVSSYSA-N 1 2 267.293 -2.261 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CCC[C@@H](NC(=O)c2cn(C)nn2)C1 ZINC001007265295 657063475 /nfs/dbraw/zinc/06/34/75/657063475.db2.gz AQSSHTIJJRWPEP-DTWKUNHWSA-N 1 2 280.332 -1.117 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CCC[C@@H](NC(=O)c2cn(C)nn2)C1 ZINC001007265295 657063482 /nfs/dbraw/zinc/06/34/82/657063482.db2.gz AQSSHTIJJRWPEP-DTWKUNHWSA-N 1 2 280.332 -1.117 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@@H](NC(=O)C[C@@H]2CCNC2=O)C1 ZINC001007489568 657063812 /nfs/dbraw/zinc/06/38/12/657063812.db2.gz TUKGOZXXWSCDRM-VHSXEESVSA-N 1 2 282.344 -1.422 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@@H](NC(=O)C[C@@H]2CCNC2=O)C1 ZINC001007489568 657063819 /nfs/dbraw/zinc/06/38/19/657063819.db2.gz TUKGOZXXWSCDRM-VHSXEESVSA-N 1 2 282.344 -1.422 20 0 CAADLO C[C@@H](O)C[N@@H+]1CCC[C@H](NC(=O)C2CS(=O)(=O)C2)C1 ZINC001007412799 657063983 /nfs/dbraw/zinc/06/39/83/657063983.db2.gz OKKKNRXUFLNULB-KOLCDFICSA-N 1 2 290.385 -1.008 20 0 CAADLO C[C@@H](O)C[N@H+]1CCC[C@H](NC(=O)C2CS(=O)(=O)C2)C1 ZINC001007412799 657063992 /nfs/dbraw/zinc/06/39/92/657063992.db2.gz OKKKNRXUFLNULB-KOLCDFICSA-N 1 2 290.385 -1.008 20 0 CAADLO O=C(N[C@@H]1CCC[N@@H+](CCO)C1)C1CS(=O)(=O)C1 ZINC001007411011 657064092 /nfs/dbraw/zinc/06/40/92/657064092.db2.gz ICBDDSXHLTVDMU-SNVBAGLBSA-N 1 2 276.358 -1.396 20 0 CAADLO O=C(N[C@@H]1CCC[N@H+](CCO)C1)C1CS(=O)(=O)C1 ZINC001007411011 657064097 /nfs/dbraw/zinc/06/40/97/657064097.db2.gz ICBDDSXHLTVDMU-SNVBAGLBSA-N 1 2 276.358 -1.396 20 0 CAADLO CNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)C[C@H]2CCNC2=O)C1 ZINC001007490171 657064215 /nfs/dbraw/zinc/06/42/15/657064215.db2.gz ZQRQANFZSPOUAT-GHMZBOCLSA-N 1 2 296.371 -1.161 20 0 CAADLO CNC(=O)C[N@H+]1CCC[C@@H](NC(=O)C[C@H]2CCNC2=O)C1 ZINC001007490171 657064219 /nfs/dbraw/zinc/06/42/19/657064219.db2.gz ZQRQANFZSPOUAT-GHMZBOCLSA-N 1 2 296.371 -1.161 20 0 CAADLO C[C@H](O)C[N@@H+]1CCC[C@H](NC(=O)C2CS(=O)(=O)C2)C1 ZINC001007412801 657064228 /nfs/dbraw/zinc/06/42/28/657064228.db2.gz OKKKNRXUFLNULB-ONGXEEELSA-N 1 2 290.385 -1.008 20 0 CAADLO C[C@H](O)C[N@H+]1CCC[C@H](NC(=O)C2CS(=O)(=O)C2)C1 ZINC001007412801 657064240 /nfs/dbraw/zinc/06/42/40/657064240.db2.gz OKKKNRXUFLNULB-ONGXEEELSA-N 1 2 290.385 -1.008 20 0 CAADLO CNC(=O)C[N@@H+]1CCC[C@H](NC(=O)C[C@@H]2CCNC2=O)C1 ZINC001007490176 657064251 /nfs/dbraw/zinc/06/42/51/657064251.db2.gz ZQRQANFZSPOUAT-QWRGUYRKSA-N 1 2 296.371 -1.161 20 0 CAADLO CNC(=O)C[N@H+]1CCC[C@H](NC(=O)C[C@@H]2CCNC2=O)C1 ZINC001007490176 657064254 /nfs/dbraw/zinc/06/42/54/657064254.db2.gz ZQRQANFZSPOUAT-QWRGUYRKSA-N 1 2 296.371 -1.161 20 0 CAADLO CN1C[C@@H](C(=O)N[C@H]2CCC[N@H+](CC(N)=O)C2)CC1=O ZINC001007453135 657064298 /nfs/dbraw/zinc/06/42/98/657064298.db2.gz QNPNQCQWLXJIGF-UWVGGRQHSA-N 1 2 282.344 -1.469 20 0 CAADLO CN1C[C@@H](C(=O)N[C@H]2CCC[N@@H+](CC(N)=O)C2)CC1=O ZINC001007453135 657064302 /nfs/dbraw/zinc/06/43/02/657064302.db2.gz QNPNQCQWLXJIGF-UWVGGRQHSA-N 1 2 282.344 -1.469 20 0 CAADLO C[C@H](O)C[N@@H+]1CCC[C@@H](NC(=O)C2CS(=O)(=O)C2)C1 ZINC001007412798 657064394 /nfs/dbraw/zinc/06/43/94/657064394.db2.gz OKKKNRXUFLNULB-GXSJLCMTSA-N 1 2 290.385 -1.008 20 0 CAADLO C[C@H](O)C[N@H+]1CCC[C@@H](NC(=O)C2CS(=O)(=O)C2)C1 ZINC001007412798 657064397 /nfs/dbraw/zinc/06/43/97/657064397.db2.gz OKKKNRXUFLNULB-GXSJLCMTSA-N 1 2 290.385 -1.008 20 0 CAADLO CN1C[C@H](C(=O)N[C@@H]2CCC[N@H+](CC(N)=O)C2)CC1=O ZINC001007453134 657064606 /nfs/dbraw/zinc/06/46/06/657064606.db2.gz QNPNQCQWLXJIGF-NXEZZACHSA-N 1 2 282.344 -1.469 20 0 CAADLO CN1C[C@H](C(=O)N[C@@H]2CCC[N@@H+](CC(N)=O)C2)CC1=O ZINC001007453134 657064609 /nfs/dbraw/zinc/06/46/09/657064609.db2.gz QNPNQCQWLXJIGF-NXEZZACHSA-N 1 2 282.344 -1.469 20 0 CAADLO NC(=O)c1ncn(CC(=O)N[C@@H]2CCC[N@H+](CCF)C2)n1 ZINC001007373670 657064675 /nfs/dbraw/zinc/06/46/75/657064675.db2.gz QTBIHNICYTTZTD-SECBINFHSA-N 1 2 298.322 -1.073 20 0 CAADLO NC(=O)c1ncn(CC(=O)N[C@@H]2CCC[N@@H+](CCF)C2)n1 ZINC001007373670 657064678 /nfs/dbraw/zinc/06/46/78/657064678.db2.gz QTBIHNICYTTZTD-SECBINFHSA-N 1 2 298.322 -1.073 20 0 CAADLO C[C@@H](O)C[N@@H+]1CCC[C@@H](NC(=O)C2CS(=O)(=O)C2)C1 ZINC001007412800 657064837 /nfs/dbraw/zinc/06/48/37/657064837.db2.gz OKKKNRXUFLNULB-MWLCHTKSSA-N 1 2 290.385 -1.008 20 0 CAADLO C[C@@H](O)C[N@H+]1CCC[C@@H](NC(=O)C2CS(=O)(=O)C2)C1 ZINC001007412800 657064841 /nfs/dbraw/zinc/06/48/41/657064841.db2.gz OKKKNRXUFLNULB-MWLCHTKSSA-N 1 2 290.385 -1.008 20 0 CAADLO CN1CC[C@H](C(=O)N[C@H]2CCC[N@H+](CC(N)=O)C2)CC1=O ZINC001007669905 657065518 /nfs/dbraw/zinc/06/55/18/657065518.db2.gz PCMJGHLOSLFQRZ-QWRGUYRKSA-N 1 2 296.371 -1.079 20 0 CAADLO CN1CC[C@H](C(=O)N[C@H]2CCC[N@@H+](CC(N)=O)C2)CC1=O ZINC001007669905 657065521 /nfs/dbraw/zinc/06/55/21/657065521.db2.gz PCMJGHLOSLFQRZ-QWRGUYRKSA-N 1 2 296.371 -1.079 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@@H](NC(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001007521973 657065571 /nfs/dbraw/zinc/06/55/71/657065571.db2.gz KLKWEDIMCZJQDB-SFYZADRCSA-N 1 2 297.315 -2.350 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@@H](NC(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001007521973 657065572 /nfs/dbraw/zinc/06/55/72/657065572.db2.gz KLKWEDIMCZJQDB-SFYZADRCSA-N 1 2 297.315 -2.350 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCCC(=O)N2)C1 ZINC001007564782 657065634 /nfs/dbraw/zinc/06/56/34/657065634.db2.gz XANKYEGVTCDZDE-NXEZZACHSA-N 1 2 282.344 -1.279 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCCC(=O)N2)C1 ZINC001007564782 657065636 /nfs/dbraw/zinc/06/56/36/657065636.db2.gz XANKYEGVTCDZDE-NXEZZACHSA-N 1 2 282.344 -1.279 20 0 CAADLO CN1CC[C@H](C(=O)N[C@@H]2CCC[N@H+](CC(N)=O)C2)CC1=O ZINC001007669907 657065760 /nfs/dbraw/zinc/06/57/60/657065760.db2.gz PCMJGHLOSLFQRZ-WDEREUQCSA-N 1 2 296.371 -1.079 20 0 CAADLO CN1CC[C@H](C(=O)N[C@@H]2CCC[N@@H+](CC(N)=O)C2)CC1=O ZINC001007669907 657065765 /nfs/dbraw/zinc/06/57/65/657065765.db2.gz PCMJGHLOSLFQRZ-WDEREUQCSA-N 1 2 296.371 -1.079 20 0 CAADLO Cn1cnc(C(=O)N[C@@H]2CCC[N@H+](CC(N)=O)C2)cc1=O ZINC001007522176 657066159 /nfs/dbraw/zinc/06/61/59/657066159.db2.gz RIIDEQTWQVQVBV-SECBINFHSA-N 1 2 293.327 -1.540 20 0 CAADLO Cn1cnc(C(=O)N[C@@H]2CCC[N@@H+](CC(N)=O)C2)cc1=O ZINC001007522176 657066166 /nfs/dbraw/zinc/06/61/66/657066166.db2.gz RIIDEQTWQVQVBV-SECBINFHSA-N 1 2 293.327 -1.540 20 0 CAADLO CNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCC(=O)NC2)C1 ZINC001007734962 657066996 /nfs/dbraw/zinc/06/69/96/657066996.db2.gz AHDLGPRQZQWBIG-WDEREUQCSA-N 1 2 296.371 -1.161 20 0 CAADLO CNC(=O)C[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCC(=O)NC2)C1 ZINC001007734962 657067001 /nfs/dbraw/zinc/06/70/01/657067001.db2.gz AHDLGPRQZQWBIG-WDEREUQCSA-N 1 2 296.371 -1.161 20 0 CAADLO CNC(=O)C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCC(=O)NC2)C1 ZINC001007734955 657067485 /nfs/dbraw/zinc/06/74/85/657067485.db2.gz AHDLGPRQZQWBIG-MNOVXSKESA-N 1 2 296.371 -1.161 20 0 CAADLO CNC(=O)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCC(=O)NC2)C1 ZINC001007734955 657067489 /nfs/dbraw/zinc/06/74/89/657067489.db2.gz AHDLGPRQZQWBIG-MNOVXSKESA-N 1 2 296.371 -1.161 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@@H](NC(=O)CN2CCCNC2=O)C1 ZINC001007779530 657067658 /nfs/dbraw/zinc/06/76/58/657067658.db2.gz ZDQDQPTWWDVIBM-SNVBAGLBSA-N 1 2 297.359 -1.532 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@@H](NC(=O)CN2CCCNC2=O)C1 ZINC001007779530 657067663 /nfs/dbraw/zinc/06/76/63/657067663.db2.gz ZDQDQPTWWDVIBM-SNVBAGLBSA-N 1 2 297.359 -1.532 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCNC(=O)CC2)C1 ZINC001008079044 657068673 /nfs/dbraw/zinc/06/86/73/657068673.db2.gz UVIHEBNLDROISC-GHMZBOCLSA-N 1 2 296.371 -1.031 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCNC(=O)CC2)C1 ZINC001008079044 657068677 /nfs/dbraw/zinc/06/86/77/657068677.db2.gz UVIHEBNLDROISC-GHMZBOCLSA-N 1 2 296.371 -1.031 20 0 CAADLO CCn1cc(CC(=O)N[C@H]2CCC[N@H+](CC(N)=O)C2)nn1 ZINC001008022535 657068864 /nfs/dbraw/zinc/06/88/64/657068864.db2.gz DRPGAEKFCVVOCR-JTQLQIEISA-N 1 2 294.359 -1.094 20 0 CAADLO CCn1cc(CC(=O)N[C@H]2CCC[N@@H+](CC(N)=O)C2)nn1 ZINC001008022535 657068870 /nfs/dbraw/zinc/06/88/70/657068870.db2.gz DRPGAEKFCVVOCR-JTQLQIEISA-N 1 2 294.359 -1.094 20 0 CAADLO CNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCN(C)C2=O)C1 ZINC001008252669 657069844 /nfs/dbraw/zinc/06/98/44/657069844.db2.gz ZEPPQBQERYYZPK-MNOVXSKESA-N 1 2 296.371 -1.209 20 0 CAADLO CNC(=O)C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCN(C)C2=O)C1 ZINC001008252669 657069852 /nfs/dbraw/zinc/06/98/52/657069852.db2.gz ZEPPQBQERYYZPK-MNOVXSKESA-N 1 2 296.371 -1.209 20 0 CAADLO CNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC(=O)N2C)C1 ZINC001008201596 657070081 /nfs/dbraw/zinc/07/00/81/657070081.db2.gz DNEFRKUTXVUAAP-MNOVXSKESA-N 1 2 296.371 -1.066 20 0 CAADLO CNC(=O)C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC(=O)N2C)C1 ZINC001008201596 657070086 /nfs/dbraw/zinc/07/00/86/657070086.db2.gz DNEFRKUTXVUAAP-MNOVXSKESA-N 1 2 296.371 -1.066 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCNC2=O)C1 ZINC001008175582 657070384 /nfs/dbraw/zinc/07/03/84/657070384.db2.gz GRWMANCTBVWEOT-IUCAKERBSA-N 1 2 268.317 -1.812 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@H](NC(=O)[C@H]2CCNC2=O)C1 ZINC001008175582 657070390 /nfs/dbraw/zinc/07/03/90/657070390.db2.gz GRWMANCTBVWEOT-IUCAKERBSA-N 1 2 268.317 -1.812 20 0 CAADLO CNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001008364786 657071226 /nfs/dbraw/zinc/07/12/26/657071226.db2.gz KMCACCHJZNZNSG-RKDXNWHRSA-N 1 2 283.332 -2.006 20 0 CAADLO CNC(=O)C[N@H+]1CCC[C@@H](NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001008364786 657071229 /nfs/dbraw/zinc/07/12/29/657071229.db2.gz KMCACCHJZNZNSG-RKDXNWHRSA-N 1 2 283.332 -2.006 20 0 CAADLO CNC(=O)C[N@@H+]1CCC[C@H](NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001008364781 657071249 /nfs/dbraw/zinc/07/12/49/657071249.db2.gz KMCACCHJZNZNSG-DTWKUNHWSA-N 1 2 283.332 -2.006 20 0 CAADLO CNC(=O)C[N@H+]1CCC[C@H](NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001008364781 657071252 /nfs/dbraw/zinc/07/12/52/657071252.db2.gz KMCACCHJZNZNSG-DTWKUNHWSA-N 1 2 283.332 -2.006 20 0 CAADLO NC(=O)C(=O)N[C@H]1CCC[N@H+](CC(=O)N2CCCC2)C1 ZINC001008366132 657071362 /nfs/dbraw/zinc/07/13/62/657071362.db2.gz PVPYFYRQDNTYNV-JTQLQIEISA-N 1 2 282.344 -1.325 20 0 CAADLO NC(=O)C(=O)N[C@H]1CCC[N@@H+](CC(=O)N2CCCC2)C1 ZINC001008366132 657071366 /nfs/dbraw/zinc/07/13/66/657071366.db2.gz PVPYFYRQDNTYNV-JTQLQIEISA-N 1 2 282.344 -1.325 20 0 CAADLO NC(=O)C(=O)N[C@@H]1CCC[N@H+](CC(=O)N2CCC2)C1 ZINC001008363113 657071432 /nfs/dbraw/zinc/07/14/32/657071432.db2.gz DCXTYZUOEFMAKU-SECBINFHSA-N 1 2 268.317 -1.715 20 0 CAADLO NC(=O)C(=O)N[C@@H]1CCC[N@@H+](CC(=O)N2CCC2)C1 ZINC001008363113 657071433 /nfs/dbraw/zinc/07/14/33/657071433.db2.gz DCXTYZUOEFMAKU-SECBINFHSA-N 1 2 268.317 -1.715 20 0 CAADLO Cn1nccc1C[N@@H+]1CCC[C@@H](NC(=O)C(N)=O)C1 ZINC001008367821 657071645 /nfs/dbraw/zinc/07/16/45/657071645.db2.gz XJIAEHYSJQMMCH-SECBINFHSA-N 1 2 265.317 -1.014 20 0 CAADLO Cn1nccc1C[N@H+]1CCC[C@@H](NC(=O)C(N)=O)C1 ZINC001008367821 657071653 /nfs/dbraw/zinc/07/16/53/657071653.db2.gz XJIAEHYSJQMMCH-SECBINFHSA-N 1 2 265.317 -1.014 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001008362463 657071963 /nfs/dbraw/zinc/07/19/63/657071963.db2.gz ABGYDQRREKDBPV-YUMQZZPRSA-N 1 2 269.305 -2.266 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001008362463 657071966 /nfs/dbraw/zinc/07/19/66/657071966.db2.gz ABGYDQRREKDBPV-YUMQZZPRSA-N 1 2 269.305 -2.266 20 0 CAADLO CC[C@H](C(N)=O)[N@@H+]1CCC[C@H](NC(=O)C(N)=O)C1 ZINC001008374037 657071975 /nfs/dbraw/zinc/07/19/75/657071975.db2.gz BAPXUKVGMSPZDY-JGVFFNPUSA-N 1 2 256.306 -1.684 20 0 CAADLO CC[C@H](C(N)=O)[N@H+]1CCC[C@H](NC(=O)C(N)=O)C1 ZINC001008374037 657071978 /nfs/dbraw/zinc/07/19/78/657071978.db2.gz BAPXUKVGMSPZDY-JGVFFNPUSA-N 1 2 256.306 -1.684 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CCC[C@@H](NC(=O)c2c[nH]c(=O)cn2)C1 ZINC001008332537 657072081 /nfs/dbraw/zinc/07/20/81/657072081.db2.gz KNCOMIVMQDIFFP-RKDXNWHRSA-N 1 2 293.327 -1.162 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CCC[C@@H](NC(=O)c2c[nH]c(=O)cn2)C1 ZINC001008332537 657072083 /nfs/dbraw/zinc/07/20/83/657072083.db2.gz KNCOMIVMQDIFFP-RKDXNWHRSA-N 1 2 293.327 -1.162 20 0 CAADLO CNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)[C@]2(C)CCC(=O)N2)C1 ZINC001008437915 657072761 /nfs/dbraw/zinc/07/27/61/657072761.db2.gz RUHWAPREONVCCN-YGRLFVJLSA-N 1 2 296.371 -1.018 20 0 CAADLO CNC(=O)C[N@H+]1CCC[C@@H](NC(=O)[C@]2(C)CCC(=O)N2)C1 ZINC001008437915 657072765 /nfs/dbraw/zinc/07/27/65/657072765.db2.gz RUHWAPREONVCCN-YGRLFVJLSA-N 1 2 296.371 -1.018 20 0 CAADLO C[C@H](C(=O)NC1CC1)[N@@H+]1CCC[C@@H](NC(=O)C(N)=O)C1 ZINC001008377230 657072782 /nfs/dbraw/zinc/07/27/82/657072782.db2.gz HGJUXEWSBNESGR-PSASIEDQSA-N 1 2 282.344 -1.281 20 0 CAADLO C[C@H](C(=O)NC1CC1)[N@H+]1CCC[C@@H](NC(=O)C(N)=O)C1 ZINC001008377230 657072786 /nfs/dbraw/zinc/07/27/86/657072786.db2.gz HGJUXEWSBNESGR-PSASIEDQSA-N 1 2 282.344 -1.281 20 0 CAADLO CN1CC[C@H]([N@@H+]2CCC[C@H](NC(=O)C(N)=O)C2)C1=O ZINC001008379363 657073019 /nfs/dbraw/zinc/07/30/19/657073019.db2.gz OSLURKORQHIFSX-IUCAKERBSA-N 1 2 268.317 -1.717 20 0 CAADLO CN1CC[C@H]([N@H+]2CCC[C@H](NC(=O)C(N)=O)C2)C1=O ZINC001008379363 657073027 /nfs/dbraw/zinc/07/30/27/657073027.db2.gz OSLURKORQHIFSX-IUCAKERBSA-N 1 2 268.317 -1.717 20 0 CAADLO C[C@H](C(=O)NC1CC1)[N@@H+]1CCC[C@H](NC(=O)C(N)=O)C1 ZINC001008377233 657073117 /nfs/dbraw/zinc/07/31/17/657073117.db2.gz HGJUXEWSBNESGR-SCZZXKLOSA-N 1 2 282.344 -1.281 20 0 CAADLO C[C@H](C(=O)NC1CC1)[N@H+]1CCC[C@H](NC(=O)C(N)=O)C1 ZINC001008377233 657073128 /nfs/dbraw/zinc/07/31/28/657073128.db2.gz HGJUXEWSBNESGR-SCZZXKLOSA-N 1 2 282.344 -1.281 20 0 CAADLO C[C@@H](C(=O)NC1CC1)[N@@H+]1CCC[C@@H](NC(=O)C(N)=O)C1 ZINC001008377236 657073482 /nfs/dbraw/zinc/07/34/82/657073482.db2.gz HGJUXEWSBNESGR-WCBMZHEXSA-N 1 2 282.344 -1.281 20 0 CAADLO C[C@@H](C(=O)NC1CC1)[N@H+]1CCC[C@@H](NC(=O)C(N)=O)C1 ZINC001008377236 657073489 /nfs/dbraw/zinc/07/34/89/657073489.db2.gz HGJUXEWSBNESGR-WCBMZHEXSA-N 1 2 282.344 -1.281 20 0 CAADLO CN1CC[C@@H]([N@@H+]2CCC[C@@H](NC(=O)C(N)=O)C2)C1=O ZINC001008379366 657073554 /nfs/dbraw/zinc/07/35/54/657073554.db2.gz OSLURKORQHIFSX-RKDXNWHRSA-N 1 2 268.317 -1.717 20 0 CAADLO CN1CC[C@@H]([N@H+]2CCC[C@@H](NC(=O)C(N)=O)C2)C1=O ZINC001008379366 657073560 /nfs/dbraw/zinc/07/35/60/657073560.db2.gz OSLURKORQHIFSX-RKDXNWHRSA-N 1 2 268.317 -1.717 20 0 CAADLO C[C@@H](C(=O)NC1CC1)[N@@H+]1CCC[C@H](NC(=O)C(N)=O)C1 ZINC001008377238 657073620 /nfs/dbraw/zinc/07/36/20/657073620.db2.gz HGJUXEWSBNESGR-WPRPVWTQSA-N 1 2 282.344 -1.281 20 0 CAADLO C[C@@H](C(=O)NC1CC1)[N@H+]1CCC[C@H](NC(=O)C(N)=O)C1 ZINC001008377238 657073627 /nfs/dbraw/zinc/07/36/27/657073627.db2.gz HGJUXEWSBNESGR-WPRPVWTQSA-N 1 2 282.344 -1.281 20 0 CAADLO CNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)[C@@]2(C)CCNC2=O)C1 ZINC001008511826 657074099 /nfs/dbraw/zinc/07/40/99/657074099.db2.gz CYYIDUZBQJQYIR-YGRLFVJLSA-N 1 2 296.371 -1.161 20 0 CAADLO CNC(=O)C[N@H+]1CCC[C@@H](NC(=O)[C@@]2(C)CCNC2=O)C1 ZINC001008511826 657074105 /nfs/dbraw/zinc/07/41/05/657074105.db2.gz CYYIDUZBQJQYIR-YGRLFVJLSA-N 1 2 296.371 -1.161 20 0 CAADLO C[C@@]1(C(=O)N[C@H]2CCC[N@H+](CC(N)=O)C2)CCNC1=O ZINC001008509435 657074210 /nfs/dbraw/zinc/07/42/10/657074210.db2.gz AKPVDIAALNKBGF-TVQRCGJNSA-N 1 2 282.344 -1.422 20 0 CAADLO C[C@@]1(C(=O)N[C@H]2CCC[N@@H+](CC(N)=O)C2)CCNC1=O ZINC001008509435 657074217 /nfs/dbraw/zinc/07/42/17/657074217.db2.gz AKPVDIAALNKBGF-TVQRCGJNSA-N 1 2 282.344 -1.422 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001008509545 657074257 /nfs/dbraw/zinc/07/42/57/657074257.db2.gz MANJPCVLLRUZSX-KXUCPTDWSA-N 1 2 298.343 -1.915 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001008509545 657074265 /nfs/dbraw/zinc/07/42/65/657074265.db2.gz MANJPCVLLRUZSX-KXUCPTDWSA-N 1 2 298.343 -1.915 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)C2)C1 ZINC001008548485 657075335 /nfs/dbraw/zinc/07/53/35/657075335.db2.gz BCQFLPKDNDRMFH-OUAUKWLOSA-N 1 2 296.371 -1.046 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)C2)C1 ZINC001008548485 657075340 /nfs/dbraw/zinc/07/53/40/657075340.db2.gz BCQFLPKDNDRMFH-OUAUKWLOSA-N 1 2 296.371 -1.046 20 0 CAADLO CC1(C)CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1NC(=O)C(N)=O ZINC001008528720 657075588 /nfs/dbraw/zinc/07/55/88/657075588.db2.gz SHFRIIJNQBWZEW-SECBINFHSA-N 1 2 293.327 -1.209 20 0 CAADLO CC1(C)CN(C(=O)Cn2cc[nH+]c2)C[C@H]1NC(=O)C(N)=O ZINC001008537123 657075621 /nfs/dbraw/zinc/07/56/21/657075621.db2.gz IIAWGUFQYBEGKG-SECBINFHSA-N 1 2 293.327 -1.278 20 0 CAADLO CNC(=O)C[N@@H+]1CCC[C@H](NC(=O)C[C@@H]2CCC(=O)N2)C1 ZINC001008837816 657076309 /nfs/dbraw/zinc/07/63/09/657076309.db2.gz CQKHUDTZHYEGHS-QWRGUYRKSA-N 1 2 296.371 -1.018 20 0 CAADLO CNC(=O)C[N@H+]1CCC[C@H](NC(=O)C[C@@H]2CCC(=O)N2)C1 ZINC001008837816 657076316 /nfs/dbraw/zinc/07/63/16/657076316.db2.gz CQKHUDTZHYEGHS-QWRGUYRKSA-N 1 2 296.371 -1.018 20 0 CAADLO CNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)C[C@@H]2CCC(=O)N2)C1 ZINC001008837817 657076555 /nfs/dbraw/zinc/07/65/55/657076555.db2.gz CQKHUDTZHYEGHS-WDEREUQCSA-N 1 2 296.371 -1.018 20 0 CAADLO CNC(=O)C[N@H+]1CCC[C@@H](NC(=O)C[C@@H]2CCC(=O)N2)C1 ZINC001008837817 657076559 /nfs/dbraw/zinc/07/65/59/657076559.db2.gz CQKHUDTZHYEGHS-WDEREUQCSA-N 1 2 296.371 -1.018 20 0 CAADLO CNC(=O)C[N@@H+]1CCC[C@H](NC(=O)C[C@H]2CCC(=O)N2)C1 ZINC001008837814 657076613 /nfs/dbraw/zinc/07/66/13/657076613.db2.gz CQKHUDTZHYEGHS-MNOVXSKESA-N 1 2 296.371 -1.018 20 0 CAADLO CNC(=O)C[N@H+]1CCC[C@H](NC(=O)C[C@H]2CCC(=O)N2)C1 ZINC001008837814 657076618 /nfs/dbraw/zinc/07/66/18/657076618.db2.gz CQKHUDTZHYEGHS-MNOVXSKESA-N 1 2 296.371 -1.018 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@H](NC(=O)CN2CC(=O)NC2=O)C1 ZINC001008893943 657076979 /nfs/dbraw/zinc/07/69/79/657076979.db2.gz UVHZXFXAAAEEJU-QMMMGPOBSA-N 1 2 297.315 -2.396 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@H](NC(=O)CN2CC(=O)NC2=O)C1 ZINC001008893943 657076988 /nfs/dbraw/zinc/07/69/88/657076988.db2.gz UVHZXFXAAAEEJU-QMMMGPOBSA-N 1 2 297.315 -2.396 20 0 CAADLO Cn1ncc(C(=O)N[C@@H]2CCC[N@@H+]([C@@H]3CCNC3=O)C2)n1 ZINC001008861391 657077026 /nfs/dbraw/zinc/07/70/26/657077026.db2.gz FMWCMCOQTZOOPJ-MWLCHTKSSA-N 1 2 292.343 -1.102 20 0 CAADLO Cn1ncc(C(=O)N[C@@H]2CCC[N@H+]([C@@H]3CCNC3=O)C2)n1 ZINC001008861391 657077035 /nfs/dbraw/zinc/07/70/35/657077035.db2.gz FMWCMCOQTZOOPJ-MWLCHTKSSA-N 1 2 292.343 -1.102 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@H](NC(=O)c2cc(C(N)=O)c[nH]2)C1 ZINC001008998127 657077691 /nfs/dbraw/zinc/07/76/91/657077691.db2.gz ZNJCHJIGWGNZRY-VIFPVBQESA-N 1 2 293.327 -1.207 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@H](NC(=O)c2cc(C(N)=O)c[nH]2)C1 ZINC001008998127 657077698 /nfs/dbraw/zinc/07/76/98/657077698.db2.gz ZNJCHJIGWGNZRY-VIFPVBQESA-N 1 2 293.327 -1.207 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@@H](NC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001008863251 657077732 /nfs/dbraw/zinc/07/77/32/657077732.db2.gz RIBQWLOMDNEZNX-SECBINFHSA-N 1 2 296.327 -1.895 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@@H](NC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001008863251 657077737 /nfs/dbraw/zinc/07/77/37/657077737.db2.gz RIBQWLOMDNEZNX-SECBINFHSA-N 1 2 296.327 -1.895 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CCC[C@@H](NC(=O)Cc2nc[nH]n2)C1 ZINC001009135444 657078312 /nfs/dbraw/zinc/07/83/12/657078312.db2.gz ZHAUFEWGHHXKPT-RKDXNWHRSA-N 1 2 280.332 -1.198 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CCC[C@@H](NC(=O)Cc2nc[nH]n2)C1 ZINC001009135444 657078317 /nfs/dbraw/zinc/07/83/17/657078317.db2.gz ZHAUFEWGHHXKPT-RKDXNWHRSA-N 1 2 280.332 -1.198 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CCC[C@H](NC(=O)Cc2nc[nH]n2)C1 ZINC001009135439 657078337 /nfs/dbraw/zinc/07/83/37/657078337.db2.gz ZHAUFEWGHHXKPT-BDAKNGLRSA-N 1 2 280.332 -1.198 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CCC[C@H](NC(=O)Cc2nc[nH]n2)C1 ZINC001009135439 657078341 /nfs/dbraw/zinc/07/83/41/657078341.db2.gz ZHAUFEWGHHXKPT-BDAKNGLRSA-N 1 2 280.332 -1.198 20 0 CAADLO Cc1nonc1CC(=O)N[C@H]1CCC[N@H+](CC(N)=O)C1 ZINC001009038005 657078452 /nfs/dbraw/zinc/07/84/52/657078452.db2.gz MRXHUCTXRDAXLJ-VIFPVBQESA-N 1 2 281.316 -1.014 20 0 CAADLO Cc1nonc1CC(=O)N[C@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001009038005 657078459 /nfs/dbraw/zinc/07/84/59/657078459.db2.gz MRXHUCTXRDAXLJ-VIFPVBQESA-N 1 2 281.316 -1.014 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@H](NC(=O)Cc2nc[nH]n2)C1 ZINC001009128971 657078553 /nfs/dbraw/zinc/07/85/53/657078553.db2.gz DUXCYKJWCKQYFT-QMMMGPOBSA-N 1 2 266.305 -1.587 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@H](NC(=O)Cc2nc[nH]n2)C1 ZINC001009128971 657078558 /nfs/dbraw/zinc/07/85/58/657078558.db2.gz DUXCYKJWCKQYFT-QMMMGPOBSA-N 1 2 266.305 -1.587 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@@H](NC(=O)CN2C(=O)CNC2=O)C1 ZINC001009464305 657080088 /nfs/dbraw/zinc/08/00/88/657080088.db2.gz ZRZDUQQAUILSDB-MRVPVSSYSA-N 1 2 297.315 -2.396 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@@H](NC(=O)CN2C(=O)CNC2=O)C1 ZINC001009464305 657080093 /nfs/dbraw/zinc/08/00/93/657080093.db2.gz ZRZDUQQAUILSDB-MRVPVSSYSA-N 1 2 297.315 -2.396 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CCC[C@H](NC(=O)Cn2cncn2)C1 ZINC001009425502 657080348 /nfs/dbraw/zinc/08/03/48/657080348.db2.gz OCPLLVQZYXQKBN-ZJUUUORDSA-N 1 2 280.332 -1.268 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CCC[C@H](NC(=O)Cn2cncn2)C1 ZINC001009425502 657080351 /nfs/dbraw/zinc/08/03/51/657080351.db2.gz OCPLLVQZYXQKBN-ZJUUUORDSA-N 1 2 280.332 -1.268 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CCC[C@@H](NC(=O)Cn2cncn2)C1 ZINC001009425500 657080559 /nfs/dbraw/zinc/08/05/59/657080559.db2.gz OCPLLVQZYXQKBN-VHSXEESVSA-N 1 2 280.332 -1.268 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CCC[C@@H](NC(=O)Cn2cncn2)C1 ZINC001009425500 657080566 /nfs/dbraw/zinc/08/05/66/657080566.db2.gz OCPLLVQZYXQKBN-VHSXEESVSA-N 1 2 280.332 -1.268 20 0 CAADLO Cn1cc(C(=O)N[C@@H]2CCC[N@H+](CC(N)=O)C2)n(C)c1=O ZINC001009649084 657081443 /nfs/dbraw/zinc/08/14/43/657081443.db2.gz PGBOPQKCCKPFNF-SECBINFHSA-N 1 2 295.343 -1.597 20 0 CAADLO Cn1cc(C(=O)N[C@@H]2CCC[N@@H+](CC(N)=O)C2)n(C)c1=O ZINC001009649084 657081447 /nfs/dbraw/zinc/08/14/47/657081447.db2.gz PGBOPQKCCKPFNF-SECBINFHSA-N 1 2 295.343 -1.597 20 0 CAADLO NC(=O)Cn1cc(C(=O)N[C@H]2CCC[N@H+](CCF)C2)nn1 ZINC001009639834 657082006 /nfs/dbraw/zinc/08/20/06/657082006.db2.gz ZVKSKPFFEDFITO-VIFPVBQESA-N 1 2 298.322 -1.073 20 0 CAADLO NC(=O)Cn1cc(C(=O)N[C@H]2CCC[N@@H+](CCF)C2)nn1 ZINC001009639834 657082015 /nfs/dbraw/zinc/08/20/15/657082015.db2.gz ZVKSKPFFEDFITO-VIFPVBQESA-N 1 2 298.322 -1.073 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)C2=COCCO2)C1 ZINC001010000275 657083043 /nfs/dbraw/zinc/08/30/43/657083043.db2.gz WBXSYVKDQNQBCG-MRVPVSSYSA-N 1 2 255.274 -1.450 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)C2=COCCO2)C1 ZINC001010000275 657083049 /nfs/dbraw/zinc/08/30/49/657083049.db2.gz WBXSYVKDQNQBCG-MRVPVSSYSA-N 1 2 255.274 -1.450 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)C2=COCCO2)C1 ZINC001010023958 657083259 /nfs/dbraw/zinc/08/32/59/657083259.db2.gz SVCPWDDFHKRLNF-RKDXNWHRSA-N 1 2 269.301 -1.061 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)C2=COCCO2)C1 ZINC001010023958 657083266 /nfs/dbraw/zinc/08/32/66/657083266.db2.gz SVCPWDDFHKRLNF-RKDXNWHRSA-N 1 2 269.301 -1.061 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)c2ccc(=O)[nH]n2)C1 ZINC001010040344 657083622 /nfs/dbraw/zinc/08/36/22/657083622.db2.gz XKIPDOJFVTZSDS-ZETCQYMHSA-N 1 2 265.273 -1.528 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)c2ccc(=O)[nH]n2)C1 ZINC001010040344 657083631 /nfs/dbraw/zinc/08/36/31/657083631.db2.gz XKIPDOJFVTZSDS-ZETCQYMHSA-N 1 2 265.273 -1.528 20 0 CAADLO CCC(=O)N[C@H]1CC[N@H+](CC(=O)N2CCNC(=O)C2)C1 ZINC001009813019 657083861 /nfs/dbraw/zinc/08/38/61/657083861.db2.gz GWHAXMBWLRBZIG-JTQLQIEISA-N 1 2 282.344 -1.455 20 0 CAADLO CCC(=O)N[C@H]1CC[N@@H+](CC(=O)N2CCNC(=O)C2)C1 ZINC001009813019 657083864 /nfs/dbraw/zinc/08/38/64/657083864.db2.gz GWHAXMBWLRBZIG-JTQLQIEISA-N 1 2 282.344 -1.455 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2ccc(=O)[nH]n2)C1 ZINC001009974326 657084035 /nfs/dbraw/zinc/08/40/35/657084035.db2.gz ULTYQCRKXTUECX-QMMMGPOBSA-N 1 2 279.300 -1.268 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)c2ccc(=O)[nH]n2)C1 ZINC001009974326 657084042 /nfs/dbraw/zinc/08/40/42/657084042.db2.gz ULTYQCRKXTUECX-QMMMGPOBSA-N 1 2 279.300 -1.268 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)Cn2cnnn2)C1 ZINC001010098610 657084998 /nfs/dbraw/zinc/08/49/98/657084998.db2.gz SIPCLTVQXFLHEW-QMMMGPOBSA-N 1 2 267.293 -2.390 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)Cn2cnnn2)C1 ZINC001010098610 657085001 /nfs/dbraw/zinc/08/50/01/657085001.db2.gz SIPCLTVQXFLHEW-QMMMGPOBSA-N 1 2 267.293 -2.390 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)CN2CCCC2=O)C1 ZINC001010102785 657085010 /nfs/dbraw/zinc/08/50/10/657085010.db2.gz AMSRWSIFRLDFPW-VIFPVBQESA-N 1 2 268.317 -1.715 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)CN2CCCC2=O)C1 ZINC001010102785 657085013 /nfs/dbraw/zinc/08/50/13/657085013.db2.gz AMSRWSIFRLDFPW-VIFPVBQESA-N 1 2 268.317 -1.715 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cn2cnnn2)C1 ZINC001010098593 657085053 /nfs/dbraw/zinc/08/50/53/657085053.db2.gz SIPCLTVQXFLHEW-MRVPVSSYSA-N 1 2 267.293 -2.390 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)Cn2cnnn2)C1 ZINC001010098593 657085060 /nfs/dbraw/zinc/08/50/60/657085060.db2.gz SIPCLTVQXFLHEW-MRVPVSSYSA-N 1 2 267.293 -2.390 20 0 CAADLO Cn1ccc(C[N@@H+]2CC[C@H](NC(=O)Cn3cnnn3)C2)n1 ZINC001010108055 657085201 /nfs/dbraw/zinc/08/52/01/657085201.db2.gz PSTVAUUGDDXLDM-JTQLQIEISA-N 1 2 290.331 -1.203 20 0 CAADLO Cn1ccc(C[N@H+]2CC[C@H](NC(=O)Cn3cnnn3)C2)n1 ZINC001010108055 657085208 /nfs/dbraw/zinc/08/52/08/657085208.db2.gz PSTVAUUGDDXLDM-JTQLQIEISA-N 1 2 290.331 -1.203 20 0 CAADLO O=C(Cn1cnnn1)N[C@H]1CC[N@@H+](CC(=O)NC2CC2)C1 ZINC001010104570 657085531 /nfs/dbraw/zinc/08/55/31/657085531.db2.gz HFYHFYHQSYROOR-JTQLQIEISA-N 1 2 293.331 -1.858 20 0 CAADLO O=C(Cn1cnnn1)N[C@H]1CC[N@H+](CC(=O)NC2CC2)C1 ZINC001010104570 657085538 /nfs/dbraw/zinc/08/55/38/657085538.db2.gz HFYHFYHQSYROOR-JTQLQIEISA-N 1 2 293.331 -1.858 20 0 CAADLO O=C(Cn1cnnn1)N[C@@H]1CC[N@@H+](CC(=O)NC2CC2)C1 ZINC001010104574 657085550 /nfs/dbraw/zinc/08/55/50/657085550.db2.gz HFYHFYHQSYROOR-SNVBAGLBSA-N 1 2 293.331 -1.858 20 0 CAADLO O=C(Cn1cnnn1)N[C@@H]1CC[N@H+](CC(=O)NC2CC2)C1 ZINC001010104574 657085557 /nfs/dbraw/zinc/08/55/57/657085557.db2.gz HFYHFYHQSYROOR-SNVBAGLBSA-N 1 2 293.331 -1.858 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cnn(C)c2)C1 ZINC001010103334 657085709 /nfs/dbraw/zinc/08/57/09/657085709.db2.gz DUATZMMCSNSEKA-JTQLQIEISA-N 1 2 265.317 -1.030 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cnn(C)c2)C1 ZINC001010103334 657085715 /nfs/dbraw/zinc/08/57/15/657085715.db2.gz DUATZMMCSNSEKA-JTQLQIEISA-N 1 2 265.317 -1.030 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)CN2CCCC2=O)C1 ZINC001010102784 657085748 /nfs/dbraw/zinc/08/57/48/657085748.db2.gz AMSRWSIFRLDFPW-SECBINFHSA-N 1 2 268.317 -1.715 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)CN2CCCC2=O)C1 ZINC001010102784 657085753 /nfs/dbraw/zinc/08/57/53/657085753.db2.gz AMSRWSIFRLDFPW-SECBINFHSA-N 1 2 268.317 -1.715 20 0 CAADLO O=C(C[N@@H+]1CC[C@H](NC(=O)[C@H]2COCCO2)C1)N1CCC1 ZINC001010255964 657086332 /nfs/dbraw/zinc/08/63/32/657086332.db2.gz OTEPPWPTMJBVAG-NWDGAFQWSA-N 1 2 297.355 -1.175 20 0 CAADLO O=C(C[N@H+]1CC[C@H](NC(=O)[C@H]2COCCO2)C1)N1CCC1 ZINC001010255964 657086340 /nfs/dbraw/zinc/08/63/40/657086340.db2.gz OTEPPWPTMJBVAG-NWDGAFQWSA-N 1 2 297.355 -1.175 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H]2COCCO2)C1 ZINC001010249156 657086889 /nfs/dbraw/zinc/08/68/89/657086889.db2.gz BTSIFYGUQHTVQE-VHSXEESVSA-N 1 2 271.317 -1.662 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@H]2COCCO2)C1 ZINC001010249156 657086898 /nfs/dbraw/zinc/08/68/98/657086898.db2.gz BTSIFYGUQHTVQE-VHSXEESVSA-N 1 2 271.317 -1.662 20 0 CAADLO Cn1cc(C(=O)N[C@@H]2CC[N@H+](CC(N)=O)C2)cn1 ZINC001010114497 657087099 /nfs/dbraw/zinc/08/70/99/657087099.db2.gz FZXXXZKYHUGZSL-SECBINFHSA-N 1 2 251.290 -1.291 20 0 CAADLO Cn1cc(C(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C2)cn1 ZINC001010114497 657087104 /nfs/dbraw/zinc/08/71/04/657087104.db2.gz FZXXXZKYHUGZSL-SECBINFHSA-N 1 2 251.290 -1.291 20 0 CAADLO Cn1nncc1C[N@@H+]1CC[C@@H](NC(=O)Cn2cnnn2)C1 ZINC001010111116 657087152 /nfs/dbraw/zinc/08/71/52/657087152.db2.gz XUPFUILPPCEQDZ-SECBINFHSA-N 1 2 291.319 -1.808 20 0 CAADLO Cn1nncc1C[N@H+]1CC[C@@H](NC(=O)Cn2cnnn2)C1 ZINC001010111116 657087157 /nfs/dbraw/zinc/08/71/57/657087157.db2.gz XUPFUILPPCEQDZ-SECBINFHSA-N 1 2 291.319 -1.808 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cn[nH]c2)C1 ZINC001010297006 657088181 /nfs/dbraw/zinc/08/81/81/657088181.db2.gz FGJLNIMIMAHXSM-SECBINFHSA-N 1 2 251.290 -1.040 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cn[nH]c2)C1 ZINC001010297006 657088185 /nfs/dbraw/zinc/08/81/85/657088185.db2.gz FGJLNIMIMAHXSM-SECBINFHSA-N 1 2 251.290 -1.040 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cc2ccon2)C1 ZINC001010388712 657089032 /nfs/dbraw/zinc/08/90/32/657089032.db2.gz YAFAJBRHTVSGLN-SECBINFHSA-N 1 2 252.274 -1.107 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)Cc2ccon2)C1 ZINC001010388712 657089035 /nfs/dbraw/zinc/08/90/35/657089035.db2.gz YAFAJBRHTVSGLN-SECBINFHSA-N 1 2 252.274 -1.107 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)c2nccnc2N)C1 ZINC001010384181 657089135 /nfs/dbraw/zinc/08/91/35/657089135.db2.gz KRQBABUPYBPKIM-HTQZYQBOSA-N 1 2 278.316 -1.263 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)c2nccnc2N)C1 ZINC001010384181 657089141 /nfs/dbraw/zinc/08/91/41/657089141.db2.gz KRQBABUPYBPKIM-HTQZYQBOSA-N 1 2 278.316 -1.263 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2nccnc2N)C1 ZINC001010389156 657089173 /nfs/dbraw/zinc/08/91/73/657089173.db2.gz JQRWANUIUMRVNZ-QMMMGPOBSA-N 1 2 278.316 -1.391 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)c2nccnc2N)C1 ZINC001010389156 657089179 /nfs/dbraw/zinc/08/91/79/657089179.db2.gz JQRWANUIUMRVNZ-QMMMGPOBSA-N 1 2 278.316 -1.391 20 0 CAADLO O=C(C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC(=O)N2)C1)NC1CC1 ZINC001010381937 657089638 /nfs/dbraw/zinc/08/96/38/657089638.db2.gz YJBGQEYJGYLQPA-WDEREUQCSA-N 1 2 294.355 -1.266 20 0 CAADLO O=C(C[N@H+]1CC[C@H](NC(=O)[C@H]2CCC(=O)N2)C1)NC1CC1 ZINC001010381937 657089644 /nfs/dbraw/zinc/08/96/44/657089644.db2.gz YJBGQEYJGYLQPA-WDEREUQCSA-N 1 2 294.355 -1.266 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cc2cnn(C)c2)C1 ZINC001010365380 657089905 /nfs/dbraw/zinc/08/99/05/657089905.db2.gz TYWRFYKSTYZTLN-LLVKDONJSA-N 1 2 279.344 -1.101 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)Cc2cnn(C)c2)C1 ZINC001010365380 657089908 /nfs/dbraw/zinc/08/99/08/657089908.db2.gz TYWRFYKSTYZTLN-LLVKDONJSA-N 1 2 279.344 -1.101 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)c2nccnc2N)C1 ZINC001010384184 657090010 /nfs/dbraw/zinc/09/00/10/657090010.db2.gz KRQBABUPYBPKIM-SFYZADRCSA-N 1 2 278.316 -1.263 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)c2nccnc2N)C1 ZINC001010384184 657090014 /nfs/dbraw/zinc/09/00/14/657090014.db2.gz KRQBABUPYBPKIM-SFYZADRCSA-N 1 2 278.316 -1.263 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+]1CC[C@H](NC(=O)c2nccnc2N)C1 ZINC001010392796 657090434 /nfs/dbraw/zinc/09/04/34/657090434.db2.gz LHVXVCAMXULTGS-IUCAKERBSA-N 1 2 292.343 -1.003 20 0 CAADLO CNC(=O)[C@H](C)[N@H+]1CC[C@H](NC(=O)c2nccnc2N)C1 ZINC001010392796 657090440 /nfs/dbraw/zinc/09/04/40/657090440.db2.gz LHVXVCAMXULTGS-IUCAKERBSA-N 1 2 292.343 -1.003 20 0 CAADLO CN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)c2nccnc2N)C1 ZINC001010395063 657090537 /nfs/dbraw/zinc/09/05/37/657090537.db2.gz WEMJUZSEWBVDOD-VIFPVBQESA-N 1 2 292.343 -1.049 20 0 CAADLO CN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)c2nccnc2N)C1 ZINC001010395063 657090546 /nfs/dbraw/zinc/09/05/46/657090546.db2.gz WEMJUZSEWBVDOD-VIFPVBQESA-N 1 2 292.343 -1.049 20 0 CAADLO Nc1nccnc1C(=O)N[C@@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001010391890 657090993 /nfs/dbraw/zinc/09/09/93/657090993.db2.gz GJYADICKKKLCOP-RKDXNWHRSA-N 1 2 290.327 -1.249 20 0 CAADLO Nc1nccnc1C(=O)N[C@@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001010391890 657090996 /nfs/dbraw/zinc/09/09/96/657090996.db2.gz GJYADICKKKLCOP-RKDXNWHRSA-N 1 2 290.327 -1.249 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+]1CC[C@@H](NC(=O)c2nccnc2N)C1 ZINC001010392795 657091029 /nfs/dbraw/zinc/09/10/29/657091029.db2.gz LHVXVCAMXULTGS-DTWKUNHWSA-N 1 2 292.343 -1.003 20 0 CAADLO CNC(=O)[C@H](C)[N@H+]1CC[C@@H](NC(=O)c2nccnc2N)C1 ZINC001010392795 657091036 /nfs/dbraw/zinc/09/10/36/657091036.db2.gz LHVXVCAMXULTGS-DTWKUNHWSA-N 1 2 292.343 -1.003 20 0 CAADLO Nc1nccnc1C(=O)N[C@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001010391885 657091322 /nfs/dbraw/zinc/09/13/22/657091322.db2.gz GJYADICKKKLCOP-DTWKUNHWSA-N 1 2 290.327 -1.249 20 0 CAADLO Nc1nccnc1C(=O)N[C@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001010391885 657091324 /nfs/dbraw/zinc/09/13/24/657091324.db2.gz GJYADICKKKLCOP-DTWKUNHWSA-N 1 2 290.327 -1.249 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCNC(=O)C2)C1 ZINC001010498298 657091665 /nfs/dbraw/zinc/09/16/65/657091665.db2.gz MFXKFNMGDHXLMP-UWVGGRQHSA-N 1 2 282.344 -1.551 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCNC(=O)C2)C1 ZINC001010498298 657091671 /nfs/dbraw/zinc/09/16/71/657091671.db2.gz MFXKFNMGDHXLMP-UWVGGRQHSA-N 1 2 282.344 -1.551 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)C[C@@H]2COC(=O)C2)C1 ZINC001010566362 657092181 /nfs/dbraw/zinc/09/21/81/657092181.db2.gz LDSRZHFVDZNHKN-DTWKUNHWSA-N 1 2 269.301 -1.385 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)C[C@@H]2COC(=O)C2)C1 ZINC001010566362 657092185 /nfs/dbraw/zinc/09/21/85/657092185.db2.gz LDSRZHFVDZNHKN-DTWKUNHWSA-N 1 2 269.301 -1.385 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cn(C)cn2)C1 ZINC001010555297 657092269 /nfs/dbraw/zinc/09/22/69/657092269.db2.gz YTWMVYJBHKUIOW-VIFPVBQESA-N 1 2 265.317 -1.030 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cn(C)cn2)C1 ZINC001010555297 657092274 /nfs/dbraw/zinc/09/22/74/657092274.db2.gz YTWMVYJBHKUIOW-VIFPVBQESA-N 1 2 265.317 -1.030 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCNC(=O)C2)C1 ZINC001010546164 657092496 /nfs/dbraw/zinc/09/24/96/657092496.db2.gz OTYKYIHSKOYAAY-BDAKNGLRSA-N 1 2 268.317 -1.812 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCNC(=O)C2)C1 ZINC001010546164 657092500 /nfs/dbraw/zinc/09/25/00/657092500.db2.gz OTYKYIHSKOYAAY-BDAKNGLRSA-N 1 2 268.317 -1.812 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)C[C@H]2COC(=O)C2)C1 ZINC001010566359 657092562 /nfs/dbraw/zinc/09/25/62/657092562.db2.gz LDSRZHFVDZNHKN-BDAKNGLRSA-N 1 2 269.301 -1.385 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)C[C@H]2COC(=O)C2)C1 ZINC001010566359 657092570 /nfs/dbraw/zinc/09/25/70/657092570.db2.gz LDSRZHFVDZNHKN-BDAKNGLRSA-N 1 2 269.301 -1.385 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)CN2CCOCC2)C1 ZINC001010661343 657092904 /nfs/dbraw/zinc/09/29/04/657092904.db2.gz DOXVDCTYCKJHFU-NSHDSACASA-N 1 2 284.360 -1.745 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)CN2CCOCC2)C1 ZINC001010661343 657092908 /nfs/dbraw/zinc/09/29/08/657092908.db2.gz DOXVDCTYCKJHFU-NSHDSACASA-N 1 2 284.360 -1.745 20 0 CAADLO CN1CCOC[C@H]1C(=O)N[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001010696987 657093377 /nfs/dbraw/zinc/09/33/77/657093377.db2.gz VBKJAEGRBYMKMU-UWVGGRQHSA-N 1 2 270.333 -2.007 20 0 CAADLO CN1CCOC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001010696987 657093382 /nfs/dbraw/zinc/09/33/82/657093382.db2.gz VBKJAEGRBYMKMU-UWVGGRQHSA-N 1 2 270.333 -2.007 20 0 CAADLO C[C@@H](C(=O)N[C@@H]1CC[N@H+](CC(N)=O)C1)n1cncn1 ZINC001010693290 657093496 /nfs/dbraw/zinc/09/34/96/657093496.db2.gz XXYJCWBNSXDPIC-DTWKUNHWSA-N 1 2 266.305 -1.485 20 0 CAADLO C[C@@H](C(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C1)n1cncn1 ZINC001010693290 657093499 /nfs/dbraw/zinc/09/34/99/657093499.db2.gz XXYJCWBNSXDPIC-DTWKUNHWSA-N 1 2 266.305 -1.485 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@@H](C)n2cncn2)C1 ZINC001010676151 657093821 /nfs/dbraw/zinc/09/38/21/657093821.db2.gz KLOVSMCKTKYBEY-NXEZZACHSA-N 1 2 280.332 -1.224 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@@H](C)n2cncn2)C1 ZINC001010676151 657093829 /nfs/dbraw/zinc/09/38/29/657093829.db2.gz KLOVSMCKTKYBEY-NXEZZACHSA-N 1 2 280.332 -1.224 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2COCCN2C)C1 ZINC001010696757 657093844 /nfs/dbraw/zinc/09/38/44/657093844.db2.gz TXMPDTRODKUBHT-GHMZBOCLSA-N 1 2 284.360 -1.747 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@H]2COCCN2C)C1 ZINC001010696757 657093850 /nfs/dbraw/zinc/09/38/50/657093850.db2.gz TXMPDTRODKUBHT-GHMZBOCLSA-N 1 2 284.360 -1.747 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)CN2CCOCC2)C1 ZINC001010670763 657094278 /nfs/dbraw/zinc/09/42/78/657094278.db2.gz QKVRDQLPUXSBFW-JTQLQIEISA-N 1 2 270.333 -2.006 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)CN2CCOCC2)C1 ZINC001010670763 657094289 /nfs/dbraw/zinc/09/42/89/657094289.db2.gz QKVRDQLPUXSBFW-JTQLQIEISA-N 1 2 270.333 -2.006 20 0 CAADLO CN1CCOC[C@@H]1C(=O)N[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001010696988 657094442 /nfs/dbraw/zinc/09/44/42/657094442.db2.gz VBKJAEGRBYMKMU-VHSXEESVSA-N 1 2 270.333 -2.007 20 0 CAADLO CN1CCOC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001010696988 657094445 /nfs/dbraw/zinc/09/44/45/657094445.db2.gz VBKJAEGRBYMKMU-VHSXEESVSA-N 1 2 270.333 -2.007 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H](C)n2cncn2)C1 ZINC001010676157 657094624 /nfs/dbraw/zinc/09/46/24/657094624.db2.gz KLOVSMCKTKYBEY-ZJUUUORDSA-N 1 2 280.332 -1.224 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H](C)n2cncn2)C1 ZINC001010676157 657094633 /nfs/dbraw/zinc/09/46/33/657094633.db2.gz KLOVSMCKTKYBEY-ZJUUUORDSA-N 1 2 280.332 -1.224 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)c2cc(=O)n(C)o2)C1 ZINC001010754249 657095393 /nfs/dbraw/zinc/09/53/93/657095393.db2.gz PRADJZYROKCWTI-HTQZYQBOSA-N 1 2 282.300 -1.344 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)c2cc(=O)n(C)o2)C1 ZINC001010754249 657095396 /nfs/dbraw/zinc/09/53/96/657095396.db2.gz PRADJZYROKCWTI-HTQZYQBOSA-N 1 2 282.300 -1.344 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)c2cc(=O)n(C)o2)C1 ZINC001010754254 657095606 /nfs/dbraw/zinc/09/56/06/657095606.db2.gz PRADJZYROKCWTI-SFYZADRCSA-N 1 2 282.300 -1.344 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)c2cc(=O)n(C)o2)C1 ZINC001010754254 657095609 /nfs/dbraw/zinc/09/56/09/657095609.db2.gz PRADJZYROKCWTI-SFYZADRCSA-N 1 2 282.300 -1.344 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cc(=O)n(C)o2)C1 ZINC001010783618 657095729 /nfs/dbraw/zinc/09/57/29/657095729.db2.gz XYSWMCJXOWNMTO-MRVPVSSYSA-N 1 2 282.300 -1.472 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cc(=O)n(C)o2)C1 ZINC001010783618 657095738 /nfs/dbraw/zinc/09/57/38/657095738.db2.gz XYSWMCJXOWNMTO-MRVPVSSYSA-N 1 2 282.300 -1.472 20 0 CAADLO Cn1ncc(C(=O)N[C@@H]2CC[N@H+](CC(N)=O)C2)c1N ZINC001010719867 657095994 /nfs/dbraw/zinc/09/59/94/657095994.db2.gz TTWOTQGYTRFATE-SSDOTTSWSA-N 1 2 266.305 -1.708 20 0 CAADLO Cn1ncc(C(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C2)c1N ZINC001010719867 657096004 /nfs/dbraw/zinc/09/60/04/657096004.db2.gz TTWOTQGYTRFATE-SSDOTTSWSA-N 1 2 266.305 -1.708 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)c2cc(=O)n(C)o2)C1 ZINC001010754251 657096021 /nfs/dbraw/zinc/09/60/21/657096021.db2.gz PRADJZYROKCWTI-JGVFFNPUSA-N 1 2 282.300 -1.344 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)c2cc(=O)n(C)o2)C1 ZINC001010754251 657096030 /nfs/dbraw/zinc/09/60/30/657096030.db2.gz PRADJZYROKCWTI-JGVFFNPUSA-N 1 2 282.300 -1.344 20 0 CAADLO Cn1nccc1CC(=O)N[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001010793551 657096856 /nfs/dbraw/zinc/09/68/56/657096856.db2.gz KIDMNYIOUKWOAP-SECBINFHSA-N 1 2 265.317 -1.362 20 0 CAADLO Cn1nccc1CC(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001010793551 657096864 /nfs/dbraw/zinc/09/68/64/657096864.db2.gz KIDMNYIOUKWOAP-SECBINFHSA-N 1 2 265.317 -1.362 20 0 CAADLO Cn1c[nH+]cc1CC(=O)N1CCN(C(=O)CC(N)=O)CC1 ZINC001010798989 657097098 /nfs/dbraw/zinc/09/70/98/657097098.db2.gz AGLGMADICQVULN-UHFFFAOYSA-N 1 2 293.327 -1.491 20 0 CAADLO NC(=O)CC(=O)N1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001010802750 657097191 /nfs/dbraw/zinc/09/71/91/657097191.db2.gz GITZEIIOKSNONT-UHFFFAOYSA-N 1 2 279.300 -1.571 20 0 CAADLO Cn1nncc1C(=O)N[C@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001010830035 657098149 /nfs/dbraw/zinc/09/81/49/657098149.db2.gz NQRBIGHVKGPPHL-DTWKUNHWSA-N 1 2 278.316 -1.492 20 0 CAADLO Cn1nncc1C(=O)N[C@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001010830035 657098159 /nfs/dbraw/zinc/09/81/59/657098159.db2.gz NQRBIGHVKGPPHL-DTWKUNHWSA-N 1 2 278.316 -1.492 20 0 CAADLO O=C(C[N@@H+]1CC[C@H](NC(=O)[C@@H]2COC(=O)N2)C1)NC1CC1 ZINC001010834661 657098187 /nfs/dbraw/zinc/09/81/87/657098187.db2.gz PLUJQYBMADOXCR-UWVGGRQHSA-N 1 2 296.327 -1.436 20 0 CAADLO O=C(C[N@H+]1CC[C@H](NC(=O)[C@@H]2COC(=O)N2)C1)NC1CC1 ZINC001010834661 657098193 /nfs/dbraw/zinc/09/81/93/657098193.db2.gz PLUJQYBMADOXCR-UWVGGRQHSA-N 1 2 296.327 -1.436 20 0 CAADLO Cn1nncc1C(=O)N[C@@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001010830041 657098459 /nfs/dbraw/zinc/09/84/59/657098459.db2.gz NQRBIGHVKGPPHL-RKDXNWHRSA-N 1 2 278.316 -1.492 20 0 CAADLO Cn1nncc1C(=O)N[C@@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001010830041 657098462 /nfs/dbraw/zinc/09/84/62/657098462.db2.gz NQRBIGHVKGPPHL-RKDXNWHRSA-N 1 2 278.316 -1.492 20 0 CAADLO NC(=O)CC(=O)N1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC001010804209 657098934 /nfs/dbraw/zinc/09/89/34/657098934.db2.gz SCYFSJHPIWUWCV-UHFFFAOYSA-N 1 2 293.327 -1.181 20 0 CAADLO O=C(C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2COC(=O)N2)C1)NC1CC1 ZINC001010834664 657099423 /nfs/dbraw/zinc/09/94/23/657099423.db2.gz PLUJQYBMADOXCR-ZJUUUORDSA-N 1 2 296.327 -1.436 20 0 CAADLO O=C(C[N@H+]1CC[C@@H](NC(=O)[C@@H]2COC(=O)N2)C1)NC1CC1 ZINC001010834664 657099434 /nfs/dbraw/zinc/09/94/34/657099434.db2.gz PLUJQYBMADOXCR-ZJUUUORDSA-N 1 2 296.327 -1.436 20 0 CAADLO CN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cn(C)nn2)C1 ZINC001010852576 657100178 /nfs/dbraw/zinc/10/01/78/657100178.db2.gz OPPPOHKRUUSUIY-SECBINFHSA-N 1 2 280.332 -1.293 20 0 CAADLO CN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)c2cn(C)nn2)C1 ZINC001010852576 657100181 /nfs/dbraw/zinc/10/01/81/657100181.db2.gz OPPPOHKRUUSUIY-SECBINFHSA-N 1 2 280.332 -1.293 20 0 CAADLO CCn1ncc(C(=O)N[C@H]2CC[N@@H+]([C@@H](C)C(N)=O)C2)n1 ZINC001010871159 657100189 /nfs/dbraw/zinc/10/01/89/657100189.db2.gz SSAGDHOZIAKTCN-IUCAKERBSA-N 1 2 280.332 -1.024 20 0 CAADLO CCn1ncc(C(=O)N[C@H]2CC[N@H+]([C@@H](C)C(N)=O)C2)n1 ZINC001010871159 657100190 /nfs/dbraw/zinc/10/01/90/657100190.db2.gz SSAGDHOZIAKTCN-IUCAKERBSA-N 1 2 280.332 -1.024 20 0 CAADLO Cn1cc(C(=O)N[C@H]2CC[N@H+](CC(=O)NC3CC3)C2)nn1 ZINC001010855459 657100205 /nfs/dbraw/zinc/10/02/05/657100205.db2.gz WTXFBYXRKRMLHJ-JTQLQIEISA-N 1 2 292.343 -1.102 20 0 CAADLO Cn1cc(C(=O)N[C@H]2CC[N@@H+](CC(=O)NC3CC3)C2)nn1 ZINC001010855459 657100211 /nfs/dbraw/zinc/10/02/11/657100211.db2.gz WTXFBYXRKRMLHJ-JTQLQIEISA-N 1 2 292.343 -1.102 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2COC(=O)N2)C1 ZINC001010835958 657100820 /nfs/dbraw/zinc/10/08/20/657100820.db2.gz YLXNNSMBFWWSJQ-BQBZGAKWSA-N 1 2 256.262 -2.229 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H]2COC(=O)N2)C1 ZINC001010835958 657100826 /nfs/dbraw/zinc/10/08/26/657100826.db2.gz YLXNNSMBFWWSJQ-BQBZGAKWSA-N 1 2 256.262 -2.229 20 0 CAADLO Cn1nncc1C[N@@H+]1CC[C@@H](NC(=O)[C@H]2COC(=O)N2)C1 ZINC001010838068 657101074 /nfs/dbraw/zinc/10/10/74/657101074.db2.gz DWTKHAQXWLBECE-PSASIEDQSA-N 1 2 294.315 -1.386 20 0 CAADLO Cn1nncc1C[N@H+]1CC[C@@H](NC(=O)[C@H]2COC(=O)N2)C1 ZINC001010838068 657101080 /nfs/dbraw/zinc/10/10/80/657101080.db2.gz DWTKHAQXWLBECE-PSASIEDQSA-N 1 2 294.315 -1.386 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cc2nnc(C)o2)C1 ZINC001010874526 657101107 /nfs/dbraw/zinc/10/11/07/657101107.db2.gz GTDOWZQCKIUVFY-SECBINFHSA-N 1 2 281.316 -1.143 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)Cc2nnc(C)o2)C1 ZINC001010874526 657101120 /nfs/dbraw/zinc/10/11/20/657101120.db2.gz GTDOWZQCKIUVFY-SECBINFHSA-N 1 2 281.316 -1.143 20 0 CAADLO Cn1cnc(C(=O)N[C@@H]2CC[N@H+](CC(=O)N3CCC3)C2)n1 ZINC001010868934 657101272 /nfs/dbraw/zinc/10/12/72/657101272.db2.gz JPRXRBOMIZHTCE-SNVBAGLBSA-N 1 2 292.343 -1.149 20 0 CAADLO Cn1cnc(C(=O)N[C@@H]2CC[N@@H+](CC(=O)N3CCC3)C2)n1 ZINC001010868934 657101278 /nfs/dbraw/zinc/10/12/78/657101278.db2.gz JPRXRBOMIZHTCE-SNVBAGLBSA-N 1 2 292.343 -1.149 20 0 CAADLO CCn1nncc1C(=O)N[C@H]1CC[N@H+](CC(=O)NC)C1 ZINC001010852704 657101312 /nfs/dbraw/zinc/10/13/12/657101312.db2.gz FIFZGHSHTYIGCK-VIFPVBQESA-N 1 2 280.332 -1.152 20 0 CAADLO CCn1nncc1C(=O)N[C@H]1CC[N@@H+](CC(=O)NC)C1 ZINC001010852704 657101313 /nfs/dbraw/zinc/10/13/13/657101313.db2.gz FIFZGHSHTYIGCK-VIFPVBQESA-N 1 2 280.332 -1.152 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cn(C)nn2)C1 ZINC001010853556 657101324 /nfs/dbraw/zinc/10/13/24/657101324.db2.gz RJXWAUTVSVJBGG-MRVPVSSYSA-N 1 2 266.305 -1.635 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cn(C)nn2)C1 ZINC001010853556 657101326 /nfs/dbraw/zinc/10/13/26/657101326.db2.gz RJXWAUTVSVJBGG-MRVPVSSYSA-N 1 2 266.305 -1.635 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)c2cn(C)nn2)C1 ZINC001010850161 657101518 /nfs/dbraw/zinc/10/15/18/657101518.db2.gz QFERVEDPXSNNFT-SFYZADRCSA-N 1 2 266.305 -1.507 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)c2cn(C)nn2)C1 ZINC001010850161 657101523 /nfs/dbraw/zinc/10/15/23/657101523.db2.gz QFERVEDPXSNNFT-SFYZADRCSA-N 1 2 266.305 -1.507 20 0 CAADLO Cc1nnc(CC(=O)N[C@@H]2CC[N@@H+]([C@H](C)C(N)=O)C2)o1 ZINC001010867341 657101764 /nfs/dbraw/zinc/10/17/64/657101764.db2.gz AGNRNDHRZAWNHF-VXNVDRBHSA-N 1 2 281.316 -1.015 20 0 CAADLO Cc1nnc(CC(=O)N[C@@H]2CC[N@H+]([C@H](C)C(N)=O)C2)o1 ZINC001010867341 657101780 /nfs/dbraw/zinc/10/17/80/657101780.db2.gz AGNRNDHRZAWNHF-VXNVDRBHSA-N 1 2 281.316 -1.015 20 0 CAADLO CCn1ncc(C(=O)N[C@H]2CC[N@@H+]([C@H](C)C(N)=O)C2)n1 ZINC001010871156 657101850 /nfs/dbraw/zinc/10/18/50/657101850.db2.gz SSAGDHOZIAKTCN-BDAKNGLRSA-N 1 2 280.332 -1.024 20 0 CAADLO CCn1ncc(C(=O)N[C@H]2CC[N@H+]([C@H](C)C(N)=O)C2)n1 ZINC001010871156 657101857 /nfs/dbraw/zinc/10/18/57/657101857.db2.gz SSAGDHOZIAKTCN-BDAKNGLRSA-N 1 2 280.332 -1.024 20 0 CAADLO CN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)c2cn(C)nn2)C1 ZINC001010852579 657101872 /nfs/dbraw/zinc/10/18/72/657101872.db2.gz OPPPOHKRUUSUIY-VIFPVBQESA-N 1 2 280.332 -1.293 20 0 CAADLO CN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)c2cn(C)nn2)C1 ZINC001010852579 657101883 /nfs/dbraw/zinc/10/18/83/657101883.db2.gz OPPPOHKRUUSUIY-VIFPVBQESA-N 1 2 280.332 -1.293 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)c2cn(C)nn2)C1 ZINC001010850162 657102088 /nfs/dbraw/zinc/10/20/88/657102088.db2.gz QFERVEDPXSNNFT-YUMQZZPRSA-N 1 2 266.305 -1.507 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)c2cn(C)nn2)C1 ZINC001010850162 657102094 /nfs/dbraw/zinc/10/20/94/657102094.db2.gz QFERVEDPXSNNFT-YUMQZZPRSA-N 1 2 266.305 -1.507 20 0 CAADLO Cn1cnc(C(=O)N[C@@H]2CC[N@@H+]([C@H]3CCNC3=O)C2)n1 ZINC001010876990 657102502 /nfs/dbraw/zinc/10/25/02/657102502.db2.gz NSRJVTMQAYAFGP-BDAKNGLRSA-N 1 2 278.316 -1.492 20 0 CAADLO Cn1cnc(C(=O)N[C@@H]2CC[N@H+]([C@H]3CCNC3=O)C2)n1 ZINC001010876990 657102507 /nfs/dbraw/zinc/10/25/07/657102507.db2.gz NSRJVTMQAYAFGP-BDAKNGLRSA-N 1 2 278.316 -1.492 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)c2ncn(C)n2)C1 ZINC001010880284 657102549 /nfs/dbraw/zinc/10/25/49/657102549.db2.gz HZXJJJVPFJVGAZ-RKDXNWHRSA-N 1 2 280.332 -1.246 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+]1CC[C@@H](NC(=O)c2ncn(C)n2)C1 ZINC001010880284 657102557 /nfs/dbraw/zinc/10/25/57/657102557.db2.gz HZXJJJVPFJVGAZ-RKDXNWHRSA-N 1 2 280.332 -1.246 20 0 CAADLO CN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)c2ncn(C)n2)C1 ZINC001010877019 657102598 /nfs/dbraw/zinc/10/25/98/657102598.db2.gz OGKPTJCNBPSYFQ-VIFPVBQESA-N 1 2 280.332 -1.293 20 0 CAADLO CN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)c2ncn(C)n2)C1 ZINC001010877019 657102604 /nfs/dbraw/zinc/10/26/04/657102604.db2.gz OGKPTJCNBPSYFQ-VIFPVBQESA-N 1 2 280.332 -1.293 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)c2ncn(C)n2)C1 ZINC001010880531 657103572 /nfs/dbraw/zinc/10/35/72/657103572.db2.gz LXTOROYIJJMRED-YUMQZZPRSA-N 1 2 266.305 -1.507 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)c2ncn(C)n2)C1 ZINC001010880531 657103580 /nfs/dbraw/zinc/10/35/80/657103580.db2.gz LXTOROYIJJMRED-YUMQZZPRSA-N 1 2 266.305 -1.507 20 0 CAADLO Cn1cnc(C(=O)N[C@H]2CC[N@@H+]([C@@H]3CCNC3=O)C2)n1 ZINC001010876991 657103948 /nfs/dbraw/zinc/10/39/48/657103948.db2.gz NSRJVTMQAYAFGP-DTWKUNHWSA-N 1 2 278.316 -1.492 20 0 CAADLO Cn1cnc(C(=O)N[C@H]2CC[N@H+]([C@@H]3CCNC3=O)C2)n1 ZINC001010876991 657103957 /nfs/dbraw/zinc/10/39/57/657103957.db2.gz NSRJVTMQAYAFGP-DTWKUNHWSA-N 1 2 278.316 -1.492 20 0 CAADLO C[C@@H](CC(=O)N1CCN(C(=O)C(N)=O)CC1)n1cc[nH+]c1 ZINC001011145769 657105525 /nfs/dbraw/zinc/10/55/25/657105525.db2.gz YVHMRKQRQKCPHD-JTQLQIEISA-N 1 2 293.327 -1.010 20 0 CAADLO NC(=O)C(=O)N1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001011280513 657108750 /nfs/dbraw/zinc/10/87/50/657108750.db2.gz QTFDGQQBTICQFQ-UHFFFAOYSA-N 1 2 279.300 -1.502 20 0 CAADLO NC(=O)C(=O)N1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001011280513 657108755 /nfs/dbraw/zinc/10/87/55/657108755.db2.gz QTFDGQQBTICQFQ-UHFFFAOYSA-N 1 2 279.300 -1.502 20 0 CAADLO C[C@H]1[C@@H](NC(=O)Cn2cc[nH+]c2)CCN1C(=O)CC(N)=O ZINC001011586026 657111473 /nfs/dbraw/zinc/11/14/73/657111473.db2.gz OISJJCJXXZSVRJ-UWVGGRQHSA-N 1 2 293.327 -1.136 20 0 CAADLO CC(C)(C(=O)N1CCN(C(=O)C(N)=O)CC1)c1c[nH+]c[nH]1 ZINC001011650509 657113163 /nfs/dbraw/zinc/11/31/63/657113163.db2.gz FYLDFYFFKXYBNX-UHFFFAOYSA-N 1 2 293.327 -1.157 20 0 CAADLO C[C@H]1[C@H](NC(=O)C(N)=O)CCN1C(=O)CCn1cc[nH+]c1 ZINC001011932394 657116629 /nfs/dbraw/zinc/11/66/29/657116629.db2.gz VGQSWWJNJYBKAB-VHSXEESVSA-N 1 2 293.327 -1.136 20 0 CAADLO Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H](NC(=O)C(N)=O)[C@@H]1C ZINC001011942379 657117163 /nfs/dbraw/zinc/11/71/63/657117163.db2.gz JNKOZNZIOQFPFC-DTWKUNHWSA-N 1 2 293.327 -1.148 20 0 CAADLO C[C@H]1[C@@H](NC(=O)C(N)=O)CCN1C(=O)Cn1cc[nH+]c1 ZINC001011857850 657117873 /nfs/dbraw/zinc/11/78/73/657117873.db2.gz WFXAEJHNTHDNMO-IUCAKERBSA-N 1 2 279.300 -1.526 20 0 CAADLO C[C@H]1[C@H](NC(=O)C(N)=O)CCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001012011759 657118702 /nfs/dbraw/zinc/11/87/02/657118702.db2.gz JFBDRNINLLJWNO-JGVFFNPUSA-N 1 2 279.300 -1.457 20 0 CAADLO C[C@H]1[C@H](NC(=O)Cc2c[nH+]cn2C)CCN1C(=O)C(N)=O ZINC001012014462 657119384 /nfs/dbraw/zinc/11/93/84/657119384.db2.gz DGSDHUPGCQLXPE-WCBMZHEXSA-N 1 2 293.327 -1.447 20 0 CAADLO NC(=O)C(=O)N1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001012226492 657123584 /nfs/dbraw/zinc/12/35/84/657123584.db2.gz LHPKCYHYKQFCQG-UHFFFAOYSA-N 1 2 265.273 -1.892 20 0 CAADLO C[C@@H]1[C@H](NC(=O)C(N)=O)CCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001012102553 657123830 /nfs/dbraw/zinc/12/38/30/657123830.db2.gz QQPVVAANBPXBDD-VXNVDRBHSA-N 1 2 279.300 -1.457 20 0 CAADLO C[C@H]1C[C@H](NC(=O)Cc2[nH]cc[nH+]2)CN1C(=O)CC(N)=O ZINC001012407129 657127039 /nfs/dbraw/zinc/12/70/39/657127039.db2.gz GJLHPDIFQJDRJN-IUCAKERBSA-N 1 2 293.327 -1.067 20 0 CAADLO C[C@H]1C[C@H](NC(=O)C(N)=O)CN1C(=O)CCc1[nH]cc[nH+]1 ZINC001012539712 657130139 /nfs/dbraw/zinc/13/01/39/657130139.db2.gz VCIIGGUEROVRGE-IUCAKERBSA-N 1 2 293.327 -1.067 20 0 CAADLO C[C@@H]1C[C@H](NC(=O)C(N)=O)CN1C(=O)Cn1cc[nH+]c1 ZINC001013050659 657132594 /nfs/dbraw/zinc/13/25/94/657132594.db2.gz SONROBSUWCRYRI-BDAKNGLRSA-N 1 2 279.300 -1.526 20 0 CAADLO Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](NC(=O)C(N)=O)C[C@@H]1C ZINC001013507201 657134830 /nfs/dbraw/zinc/13/48/30/657134830.db2.gz WXNLWAZBMKUCML-CBAPKCEASA-N 1 2 293.327 -1.148 20 0 CAADLO Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](NC(=O)C(N)=O)C[C@H]1C ZINC001013507163 657134914 /nfs/dbraw/zinc/13/49/14/657134914.db2.gz WXNLWAZBMKUCML-APPZFPTMSA-N 1 2 293.327 -1.148 20 0 CAADLO Cc1[nH+]c[nH]c1CC(=O)N[C@H]1C[C@H](C)N(C(=O)C(N)=O)C1 ZINC001013965318 657140217 /nfs/dbraw/zinc/14/02/17/657140217.db2.gz FYOYRDMSGCDUEH-CBAPKCEASA-N 1 2 293.327 -1.148 20 0 CAADLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[C@H](C)N(C(=O)C(N)=O)C1 ZINC001013965319 657140804 /nfs/dbraw/zinc/14/08/04/657140804.db2.gz FYOYRDMSGCDUEH-IONNQARKSA-N 1 2 293.327 -1.148 20 0 CAADLO C[C@@H]1C[C@H](NC(=O)Cc2c[nH]c[nH+]2)CN1C(=O)C(N)=O ZINC001013975342 657140910 /nfs/dbraw/zinc/14/09/10/657140910.db2.gz LLUBOIUTQGHITK-APPZFPTMSA-N 1 2 279.300 -1.457 20 0 CAADLO C[C@@H]1C[C@H](NC(=O)Cn2cc[nH+]c2)CN1C(=O)C(N)=O ZINC001013988242 657142133 /nfs/dbraw/zinc/14/21/33/657142133.db2.gz CAXINIIOIXVSGY-BDAKNGLRSA-N 1 2 279.300 -1.526 20 0 CAADLO C[C@H]1C[C@@H](NC(=O)Cc2c[nH]c[nH+]2)CN1C(=O)C(N)=O ZINC001013975344 657142227 /nfs/dbraw/zinc/14/22/27/657142227.db2.gz LLUBOIUTQGHITK-IONNQARKSA-N 1 2 279.300 -1.457 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)Cc2nnc(C)[nH]2)C1 ZINC001014379332 657143339 /nfs/dbraw/zinc/14/33/39/657143339.db2.gz WXUJCUUKLFGWOL-VIFPVBQESA-N 1 2 280.332 -1.408 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)Cc2nnc(C)[nH]2)C1 ZINC001014379332 657143347 /nfs/dbraw/zinc/14/33/47/657143347.db2.gz WXUJCUUKLFGWOL-VIFPVBQESA-N 1 2 280.332 -1.408 20 0 CAADLO CCn1ncc(C(=O)N[C@@H]2CC[N@H+](CC(=O)NC)C2)n1 ZINC001014354516 657143482 /nfs/dbraw/zinc/14/34/82/657143482.db2.gz HLWNETIQWJWMFV-SECBINFHSA-N 1 2 280.332 -1.152 20 0 CAADLO CCn1ncc(C(=O)N[C@@H]2CC[N@@H+](CC(=O)NC)C2)n1 ZINC001014354516 657143486 /nfs/dbraw/zinc/14/34/86/657143486.db2.gz HLWNETIQWJWMFV-SECBINFHSA-N 1 2 280.332 -1.152 20 0 CAADLO CCn1ncc(C(=O)N[C@H]2CC[N@H+](CC(=O)NC)C2)n1 ZINC001014354523 657143941 /nfs/dbraw/zinc/14/39/41/657143941.db2.gz HLWNETIQWJWMFV-VIFPVBQESA-N 1 2 280.332 -1.152 20 0 CAADLO CCn1ncc(C(=O)N[C@H]2CC[N@@H+](CC(=O)NC)C2)n1 ZINC001014354523 657143946 /nfs/dbraw/zinc/14/39/46/657143946.db2.gz HLWNETIQWJWMFV-VIFPVBQESA-N 1 2 280.332 -1.152 20 0 CAADLO CCn1nncc1C(=O)N[C@H]1CC[N@@H+]([C@H](C)C(N)=O)C1 ZINC001014372717 657144077 /nfs/dbraw/zinc/14/40/77/657144077.db2.gz YMKYCJDPUSEDMZ-BDAKNGLRSA-N 1 2 280.332 -1.024 20 0 CAADLO CCn1nncc1C(=O)N[C@H]1CC[N@H+]([C@H](C)C(N)=O)C1 ZINC001014372717 657144080 /nfs/dbraw/zinc/14/40/80/657144080.db2.gz YMKYCJDPUSEDMZ-BDAKNGLRSA-N 1 2 280.332 -1.024 20 0 CAADLO CCn1nncc1C(=O)N[C@@H]1CC[N@@H+]([C@H](C)C(N)=O)C1 ZINC001014372724 657144451 /nfs/dbraw/zinc/14/44/51/657144451.db2.gz YMKYCJDPUSEDMZ-RKDXNWHRSA-N 1 2 280.332 -1.024 20 0 CAADLO CCn1nncc1C(=O)N[C@@H]1CC[N@H+]([C@H](C)C(N)=O)C1 ZINC001014372724 657144455 /nfs/dbraw/zinc/14/44/55/657144455.db2.gz YMKYCJDPUSEDMZ-RKDXNWHRSA-N 1 2 280.332 -1.024 20 0 CAADLO O=C(Cn1ncnn1)N[C@@H]1CC[N@@H+](CC(=O)NC2CC2)C1 ZINC001014426305 657145786 /nfs/dbraw/zinc/14/57/86/657145786.db2.gz GSBUWKWZTRKJOX-SNVBAGLBSA-N 1 2 293.331 -1.858 20 0 CAADLO O=C(Cn1ncnn1)N[C@@H]1CC[N@H+](CC(=O)NC2CC2)C1 ZINC001014426305 657145794 /nfs/dbraw/zinc/14/57/94/657145794.db2.gz GSBUWKWZTRKJOX-SNVBAGLBSA-N 1 2 293.331 -1.858 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)Cn2ncnn2)C1 ZINC001014429820 657146360 /nfs/dbraw/zinc/14/63/60/657146360.db2.gz QEESHXWPNDSKDM-ZETCQYMHSA-N 1 2 253.266 -2.651 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)Cn2ncnn2)C1 ZINC001014429820 657146367 /nfs/dbraw/zinc/14/63/67/657146367.db2.gz QEESHXWPNDSKDM-ZETCQYMHSA-N 1 2 253.266 -2.651 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@]23C[C@H]2COC3)C1 ZINC001014484496 657147467 /nfs/dbraw/zinc/14/74/67/657147467.db2.gz JUVDGIJJMNSSAS-KWBADKCTSA-N 1 2 267.329 -1.041 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@]23C[C@H]2COC3)C1 ZINC001014484496 657147469 /nfs/dbraw/zinc/14/74/69/657147469.db2.gz JUVDGIJJMNSSAS-KWBADKCTSA-N 1 2 267.329 -1.041 20 0 CAADLO O=C(Cn1nccn1)N[C@@H]1CC[N@@H+](CC(=O)NC2CC2)C1 ZINC001014562156 657147818 /nfs/dbraw/zinc/14/78/18/657147818.db2.gz AGUVFYURJUEJTL-LLVKDONJSA-N 1 2 292.343 -1.253 20 0 CAADLO O=C(Cn1nccn1)N[C@@H]1CC[N@H+](CC(=O)NC2CC2)C1 ZINC001014562156 657147836 /nfs/dbraw/zinc/14/78/36/657147836.db2.gz AGUVFYURJUEJTL-LLVKDONJSA-N 1 2 292.343 -1.253 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001014504510 657148716 /nfs/dbraw/zinc/14/87/16/657148716.db2.gz WZYCLSRKPVDZOH-ZETCQYMHSA-N 1 2 295.303 -2.947 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001014504510 657148722 /nfs/dbraw/zinc/14/87/22/657148722.db2.gz WZYCLSRKPVDZOH-ZETCQYMHSA-N 1 2 295.303 -2.947 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cn2nccn2)C1 ZINC001014563872 657148759 /nfs/dbraw/zinc/14/87/59/657148759.db2.gz GTFRMYGDDQKWGK-MRVPVSSYSA-N 1 2 252.278 -2.046 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)Cn2nccn2)C1 ZINC001014563872 657148764 /nfs/dbraw/zinc/14/87/64/657148764.db2.gz GTFRMYGDDQKWGK-MRVPVSSYSA-N 1 2 252.278 -2.046 20 0 CAADLO C[C@H]1CC(=O)N[C@@H](C(=O)N[C@H]2CC[N@H+](CC(N)=O)C2)C1 ZINC001014457433 657148814 /nfs/dbraw/zinc/14/88/14/657148814.db2.gz ADBIBXJMQKGRAS-KXUCPTDWSA-N 1 2 282.344 -1.423 20 0 CAADLO C[C@H]1CC(=O)N[C@@H](C(=O)N[C@H]2CC[N@@H+](CC(N)=O)C2)C1 ZINC001014457433 657148816 /nfs/dbraw/zinc/14/88/16/657148816.db2.gz ADBIBXJMQKGRAS-KXUCPTDWSA-N 1 2 282.344 -1.423 20 0 CAADLO C[C@H](C(=O)N[C@H]1CC[N@H+](CC(N)=O)C1)N1C(=O)CCC1=O ZINC001014628877 657149666 /nfs/dbraw/zinc/14/96/66/657149666.db2.gz QLSRIFBKENSSLV-BDAKNGLRSA-N 1 2 296.327 -1.800 20 0 CAADLO C[C@H](C(=O)N[C@H]1CC[N@@H+](CC(N)=O)C1)N1C(=O)CCC1=O ZINC001014628877 657149671 /nfs/dbraw/zinc/14/96/71/657149671.db2.gz QLSRIFBKENSSLV-BDAKNGLRSA-N 1 2 296.327 -1.800 20 0 CAADLO CC(C)N1C[C@H](C(=O)N[C@H]2CC[N@H+](CC(N)=O)C2)CC1=O ZINC001014611221 657149723 /nfs/dbraw/zinc/14/97/23/657149723.db2.gz NRCOCUYVVYDOAS-MNOVXSKESA-N 1 2 296.371 -1.081 20 0 CAADLO CC(C)N1C[C@H](C(=O)N[C@H]2CC[N@@H+](CC(N)=O)C2)CC1=O ZINC001014611221 657149730 /nfs/dbraw/zinc/14/97/30/657149730.db2.gz NRCOCUYVVYDOAS-MNOVXSKESA-N 1 2 296.371 -1.081 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)C[C@@H]2CCC(=O)NC2)C1 ZINC001014701097 657149967 /nfs/dbraw/zinc/14/99/67/657149967.db2.gz QTVXLORBALCMPI-VHSXEESVSA-N 1 2 282.344 -1.422 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)C[C@@H]2CCC(=O)NC2)C1 ZINC001014701097 657149974 /nfs/dbraw/zinc/14/99/74/657149974.db2.gz QTVXLORBALCMPI-VHSXEESVSA-N 1 2 282.344 -1.422 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)C[C@@H]2CCC(=O)NC2)C1 ZINC001014701096 657150725 /nfs/dbraw/zinc/15/07/25/657150725.db2.gz QTVXLORBALCMPI-UWVGGRQHSA-N 1 2 282.344 -1.422 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)C[C@@H]2CCC(=O)NC2)C1 ZINC001014701096 657150729 /nfs/dbraw/zinc/15/07/29/657150729.db2.gz QTVXLORBALCMPI-UWVGGRQHSA-N 1 2 282.344 -1.422 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cn2nccn2)C1 ZINC001014577851 657150748 /nfs/dbraw/zinc/15/07/48/657150748.db2.gz ZBGGMBHAFOTLMC-SECBINFHSA-N 1 2 266.305 -1.785 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)Cn2nccn2)C1 ZINC001014577851 657150752 /nfs/dbraw/zinc/15/07/52/657150752.db2.gz ZBGGMBHAFOTLMC-SECBINFHSA-N 1 2 266.305 -1.785 20 0 CAADLO CCN1C[C@H](C(=O)N[C@@H]2CC[N@H+](CC(=O)NC)C2)CC1=O ZINC001014629445 657150798 /nfs/dbraw/zinc/15/07/98/657150798.db2.gz JRUGETVDARFMHZ-GHMZBOCLSA-N 1 2 296.371 -1.209 20 0 CAADLO CCN1C[C@H](C(=O)N[C@@H]2CC[N@@H+](CC(=O)NC)C2)CC1=O ZINC001014629445 657150804 /nfs/dbraw/zinc/15/08/04/657150804.db2.gz JRUGETVDARFMHZ-GHMZBOCLSA-N 1 2 296.371 -1.209 20 0 CAADLO CN1C[C@H](C(=O)N[C@@H]2CC[N@H+](CC(N)=O)C2)CC1=O ZINC001014613603 657150820 /nfs/dbraw/zinc/15/08/20/657150820.db2.gz CLQSVDVOWJCLTN-RKDXNWHRSA-N 1 2 268.317 -1.860 20 0 CAADLO CN1C[C@H](C(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C2)CC1=O ZINC001014613603 657150826 /nfs/dbraw/zinc/15/08/26/657150826.db2.gz CLQSVDVOWJCLTN-RKDXNWHRSA-N 1 2 268.317 -1.860 20 0 CAADLO CCN1C[C@@H](C(=O)N[C@H]2CC[N@H+](CC(N)=O)C2)CC1=O ZINC001014640128 657151009 /nfs/dbraw/zinc/15/10/09/657151009.db2.gz ZGMQDLQETIPJLZ-UWVGGRQHSA-N 1 2 282.344 -1.469 20 0 CAADLO CCN1C[C@@H](C(=O)N[C@H]2CC[N@@H+](CC(N)=O)C2)CC1=O ZINC001014640128 657151015 /nfs/dbraw/zinc/15/10/15/657151015.db2.gz ZGMQDLQETIPJLZ-UWVGGRQHSA-N 1 2 282.344 -1.469 20 0 CAADLO Cc1c(CC(=O)N[C@@H]2CC[N@H+](CC(N)=O)C2)cnn1C ZINC001014678402 657151222 /nfs/dbraw/zinc/15/12/22/657151222.db2.gz KVVSZFZQCKYCIZ-LLVKDONJSA-N 1 2 279.344 -1.053 20 0 CAADLO Cc1c(CC(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C2)cnn1C ZINC001014678402 657151228 /nfs/dbraw/zinc/15/12/28/657151228.db2.gz KVVSZFZQCKYCIZ-LLVKDONJSA-N 1 2 279.344 -1.053 20 0 CAADLO CCN1C[C@@H](C(=O)N[C@H]2CC[N@H+](CC(=O)NC)C2)CC1=O ZINC001014629455 657151279 /nfs/dbraw/zinc/15/12/79/657151279.db2.gz JRUGETVDARFMHZ-QWRGUYRKSA-N 1 2 296.371 -1.209 20 0 CAADLO CCN1C[C@@H](C(=O)N[C@H]2CC[N@@H+](CC(=O)NC)C2)CC1=O ZINC001014629455 657151281 /nfs/dbraw/zinc/15/12/81/657151281.db2.gz JRUGETVDARFMHZ-QWRGUYRKSA-N 1 2 296.371 -1.209 20 0 CAADLO CCN1C[C@@H](C(=O)N[C@@H]2CC[N@H+](CC(=O)NC)C2)CC1=O ZINC001014629458 657151364 /nfs/dbraw/zinc/15/13/64/657151364.db2.gz JRUGETVDARFMHZ-WDEREUQCSA-N 1 2 296.371 -1.209 20 0 CAADLO CCN1C[C@@H](C(=O)N[C@@H]2CC[N@@H+](CC(=O)NC)C2)CC1=O ZINC001014629458 657151371 /nfs/dbraw/zinc/15/13/71/657151371.db2.gz JRUGETVDARFMHZ-WDEREUQCSA-N 1 2 296.371 -1.209 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)c2cc3n(n2)CCO3)C1 ZINC001014735355 657152593 /nfs/dbraw/zinc/15/25/93/657152593.db2.gz DXKLECKJONLLDF-DTWKUNHWSA-N 1 2 293.327 -1.047 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)c2cc3n(n2)CCO3)C1 ZINC001014735355 657152596 /nfs/dbraw/zinc/15/25/96/657152596.db2.gz DXKLECKJONLLDF-DTWKUNHWSA-N 1 2 293.327 -1.047 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)CN2CCOCC2=O)C1 ZINC001014741439 657152799 /nfs/dbraw/zinc/15/27/99/657152799.db2.gz PUNNWBQWLWKFSC-SECBINFHSA-N 1 2 284.316 -2.479 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)CN2CCOCC2=O)C1 ZINC001014741439 657152808 /nfs/dbraw/zinc/15/28/08/657152808.db2.gz PUNNWBQWLWKFSC-SECBINFHSA-N 1 2 284.316 -2.479 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001014768921 657153637 /nfs/dbraw/zinc/15/36/37/657153637.db2.gz FWOQPUFNRKDZHT-RQJHMYQMSA-N 1 2 283.288 -2.740 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001014768921 657153642 /nfs/dbraw/zinc/15/36/42/657153642.db2.gz FWOQPUFNRKDZHT-RQJHMYQMSA-N 1 2 283.288 -2.740 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cnc3n2CCOC3)C1 ZINC001014809183 657153664 /nfs/dbraw/zinc/15/36/64/657153664.db2.gz CMKVUTOUXCKMGU-SECBINFHSA-N 1 2 293.327 -1.297 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cnc3n2CCOC3)C1 ZINC001014809183 657153675 /nfs/dbraw/zinc/15/36/75/657153675.db2.gz CMKVUTOUXCKMGU-SECBINFHSA-N 1 2 293.327 -1.297 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001014771156 657153947 /nfs/dbraw/zinc/15/39/47/657153947.db2.gz WLJYKKQDDFQNIV-YUMQZZPRSA-N 1 2 297.315 -2.479 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001014771156 657153951 /nfs/dbraw/zinc/15/39/51/657153951.db2.gz WLJYKKQDDFQNIV-YUMQZZPRSA-N 1 2 297.315 -2.479 20 0 CAADLO Cn1cnc(C(=O)N[C@H]2CC[N@H+](CC(N)=O)C2)cc1=O ZINC001014785922 657154053 /nfs/dbraw/zinc/15/40/53/657154053.db2.gz OWQLEJLJUCPBOW-QMMMGPOBSA-N 1 2 279.300 -1.930 20 0 CAADLO Cn1cnc(C(=O)N[C@H]2CC[N@@H+](CC(N)=O)C2)cc1=O ZINC001014785922 657154066 /nfs/dbraw/zinc/15/40/66/657154066.db2.gz OWQLEJLJUCPBOW-QMMMGPOBSA-N 1 2 279.300 -1.930 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001014768920 657154182 /nfs/dbraw/zinc/15/41/82/657154182.db2.gz FWOQPUFNRKDZHT-BQBZGAKWSA-N 1 2 283.288 -2.740 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001014768920 657154192 /nfs/dbraw/zinc/15/41/92/657154192.db2.gz FWOQPUFNRKDZHT-BQBZGAKWSA-N 1 2 283.288 -2.740 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)Cn2cc(C3CC3)nn2)C1 ZINC001014715814 657154817 /nfs/dbraw/zinc/15/48/17/657154817.db2.gz FYPIFGNKUXAGQZ-JTQLQIEISA-N 1 2 292.343 -1.169 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)Cn2cc(C3CC3)nn2)C1 ZINC001014715814 657154818 /nfs/dbraw/zinc/15/48/18/657154818.db2.gz FYPIFGNKUXAGQZ-JTQLQIEISA-N 1 2 292.343 -1.169 20 0 CAADLO Cc1nc(C(=O)N[C@H]2CC[N@H+](CC(N)=O)C2)c(=O)[nH]c1C ZINC001014896265 657155040 /nfs/dbraw/zinc/15/50/40/657155040.db2.gz YVDXVVZNGRJOHY-VIFPVBQESA-N 1 2 293.327 -1.324 20 0 CAADLO Cc1nc(C(=O)N[C@H]2CC[N@@H+](CC(N)=O)C2)c(=O)[nH]c1C ZINC001014896265 657155054 /nfs/dbraw/zinc/15/50/54/657155054.db2.gz YVDXVVZNGRJOHY-VIFPVBQESA-N 1 2 293.327 -1.324 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@]2(C)CCNC(=O)C2)C1 ZINC001014920980 657155280 /nfs/dbraw/zinc/15/52/80/657155280.db2.gz QWSRASJYJBLYKO-HZMBPMFUSA-N 1 2 296.371 -1.161 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@]2(C)CCNC(=O)C2)C1 ZINC001014920980 657155290 /nfs/dbraw/zinc/15/52/90/657155290.db2.gz QWSRASJYJBLYKO-HZMBPMFUSA-N 1 2 296.371 -1.161 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCN(C)C(=O)C2)C1 ZINC001014968214 657155735 /nfs/dbraw/zinc/15/57/35/657155735.db2.gz LNWAPGUHBRBBRC-GHMZBOCLSA-N 1 2 296.371 -1.209 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCN(C)C(=O)C2)C1 ZINC001014968214 657155742 /nfs/dbraw/zinc/15/57/42/657155742.db2.gz LNWAPGUHBRBBRC-GHMZBOCLSA-N 1 2 296.371 -1.209 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCNC2=O)C1 ZINC001014810295 657155894 /nfs/dbraw/zinc/15/58/94/657155894.db2.gz GXFGUENNJNTOAT-DTWKUNHWSA-N 1 2 268.317 -1.812 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCNC2=O)C1 ZINC001014810295 657155902 /nfs/dbraw/zinc/15/59/02/657155902.db2.gz GXFGUENNJNTOAT-DTWKUNHWSA-N 1 2 268.317 -1.812 20 0 CAADLO CN1CC[C@H](C(=O)N[C@@H]2CC[N@H+](CC(N)=O)C2)CC1=O ZINC001014967978 657156216 /nfs/dbraw/zinc/15/62/16/657156216.db2.gz JSLLOAAJAQQSSL-VHSXEESVSA-N 1 2 282.344 -1.469 20 0 CAADLO CN1CC[C@H](C(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C2)CC1=O ZINC001014967978 657156219 /nfs/dbraw/zinc/15/62/19/657156219.db2.gz JSLLOAAJAQQSSL-VHSXEESVSA-N 1 2 282.344 -1.469 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCNC2=O)C1 ZINC001014810296 657156249 /nfs/dbraw/zinc/15/62/49/657156249.db2.gz GXFGUENNJNTOAT-IUCAKERBSA-N 1 2 268.317 -1.812 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCCNC2=O)C1 ZINC001014810296 657156258 /nfs/dbraw/zinc/15/62/58/657156258.db2.gz GXFGUENNJNTOAT-IUCAKERBSA-N 1 2 268.317 -1.812 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cn3c(n2)COCC3)C1 ZINC001014939120 657156285 /nfs/dbraw/zinc/15/62/85/657156285.db2.gz AQQZGBKHZUDUJW-VIFPVBQESA-N 1 2 293.327 -1.297 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)c2cn3c(n2)COCC3)C1 ZINC001014939120 657156297 /nfs/dbraw/zinc/15/62/97/657156297.db2.gz AQQZGBKHZUDUJW-VIFPVBQESA-N 1 2 293.327 -1.297 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCC(=O)N2)C1 ZINC001014861081 657156381 /nfs/dbraw/zinc/15/63/81/657156381.db2.gz SAAMZODFVXXGJG-RKDXNWHRSA-N 1 2 268.317 -1.669 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CCCC(=O)N2)C1 ZINC001014861081 657156385 /nfs/dbraw/zinc/15/63/85/657156385.db2.gz SAAMZODFVXXGJG-RKDXNWHRSA-N 1 2 268.317 -1.669 20 0 CAADLO CN1CC[C@@H](CC(=O)N[C@@H]2CC[N@H+](CC(N)=O)C2)C1=O ZINC001014856998 657156585 /nfs/dbraw/zinc/15/65/85/657156585.db2.gz RMXJEGLHWZCNHE-VHSXEESVSA-N 1 2 282.344 -1.469 20 0 CAADLO CN1CC[C@@H](CC(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C2)C1=O ZINC001014856998 657156590 /nfs/dbraw/zinc/15/65/90/657156590.db2.gz RMXJEGLHWZCNHE-VHSXEESVSA-N 1 2 282.344 -1.469 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cnc[nH]c2=O)C1 ZINC001014871317 657156689 /nfs/dbraw/zinc/15/66/89/657156689.db2.gz YHMIJIUJABPZHQ-MRVPVSSYSA-N 1 2 279.300 -1.268 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cnc[nH]c2=O)C1 ZINC001014871317 657156695 /nfs/dbraw/zinc/15/66/95/657156695.db2.gz YHMIJIUJABPZHQ-MRVPVSSYSA-N 1 2 279.300 -1.268 20 0 CAADLO Cc1nc(C(=O)N[C@@H]2CC[N@H+](CC(N)=O)C2)c(=O)[nH]c1C ZINC001014896264 657156731 /nfs/dbraw/zinc/15/67/31/657156731.db2.gz YVDXVVZNGRJOHY-SECBINFHSA-N 1 2 293.327 -1.324 20 0 CAADLO Cc1nc(C(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C2)c(=O)[nH]c1C ZINC001014896264 657156735 /nfs/dbraw/zinc/15/67/35/657156735.db2.gz YVDXVVZNGRJOHY-SECBINFHSA-N 1 2 293.327 -1.324 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@]2(C)CCNC(=O)C2)C1 ZINC001014920981 657156743 /nfs/dbraw/zinc/15/67/43/657156743.db2.gz QWSRASJYJBLYKO-IINYFYTJSA-N 1 2 296.371 -1.161 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@]2(C)CCNC(=O)C2)C1 ZINC001014920981 657156746 /nfs/dbraw/zinc/15/67/46/657156746.db2.gz QWSRASJYJBLYKO-IINYFYTJSA-N 1 2 296.371 -1.161 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCNC2=O)C1 ZINC001014810299 657156785 /nfs/dbraw/zinc/15/67/85/657156785.db2.gz GXFGUENNJNTOAT-RKDXNWHRSA-N 1 2 268.317 -1.812 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCNC2=O)C1 ZINC001014810299 657156792 /nfs/dbraw/zinc/15/67/92/657156792.db2.gz GXFGUENNJNTOAT-RKDXNWHRSA-N 1 2 268.317 -1.812 20 0 CAADLO CN1CC[C@@H](C(=O)N[C@H]2CC[N@H+](CC(N)=O)C2)CC1=O ZINC001014967979 657156947 /nfs/dbraw/zinc/15/69/47/657156947.db2.gz JSLLOAAJAQQSSL-ZJUUUORDSA-N 1 2 282.344 -1.469 20 0 CAADLO CN1CC[C@@H](C(=O)N[C@H]2CC[N@@H+](CC(N)=O)C2)CC1=O ZINC001014967979 657156956 /nfs/dbraw/zinc/15/69/56/657156956.db2.gz JSLLOAAJAQQSSL-ZJUUUORDSA-N 1 2 282.344 -1.469 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC(=O)NC2)C1 ZINC001015040870 657157560 /nfs/dbraw/zinc/15/75/60/657157560.db2.gz BZKFXBBCSQLATG-BDAKNGLRSA-N 1 2 268.317 -1.812 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC(=O)NC2)C1 ZINC001015040870 657157567 /nfs/dbraw/zinc/15/75/67/657157567.db2.gz BZKFXBBCSQLATG-BDAKNGLRSA-N 1 2 268.317 -1.812 20 0 CAADLO CCN1CCOC[C@H]1C(=O)N[C@H]1CC[N@H+](CC(=O)NC)C1 ZINC001015021397 657158055 /nfs/dbraw/zinc/15/80/55/657158055.db2.gz AGTSKKWBXVHWFL-RYUDHWBXSA-N 1 2 298.387 -1.356 20 0 CAADLO CCN1CCOC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC(=O)NC)C1 ZINC001015021397 657158058 /nfs/dbraw/zinc/15/80/58/657158058.db2.gz AGTSKKWBXVHWFL-RYUDHWBXSA-N 1 2 298.387 -1.356 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCC(=O)NC2)C1 ZINC001015045084 657158101 /nfs/dbraw/zinc/15/81/01/657158101.db2.gz TYAKMISRNNNBHC-NXEZZACHSA-N 1 2 282.344 -1.551 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCC(=O)NC2)C1 ZINC001015045084 657158105 /nfs/dbraw/zinc/15/81/05/657158105.db2.gz TYAKMISRNNNBHC-NXEZZACHSA-N 1 2 282.344 -1.551 20 0 CAADLO O=C(CC1CS(=O)(=O)C1)N[C@H]1CC[N@@H+](CCO)C1 ZINC001015008303 657158133 /nfs/dbraw/zinc/15/81/33/657158133.db2.gz JSXDNYCREOWDBK-JTQLQIEISA-N 1 2 276.358 -1.396 20 0 CAADLO O=C(CC1CS(=O)(=O)C1)N[C@H]1CC[N@H+](CCO)C1 ZINC001015008303 657158135 /nfs/dbraw/zinc/15/81/35/657158135.db2.gz JSXDNYCREOWDBK-JTQLQIEISA-N 1 2 276.358 -1.396 20 0 CAADLO CN1CCN(CC(=O)N[C@@H]2CC[N@H+](CC(N)=O)C2)CC1=O ZINC001015009884 657158386 /nfs/dbraw/zinc/15/83/86/657158386.db2.gz PQZLZSBKIPVWTP-SNVBAGLBSA-N 1 2 297.359 -2.564 20 0 CAADLO CN1CCN(CC(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C2)CC1=O ZINC001015009884 657158392 /nfs/dbraw/zinc/15/83/92/657158392.db2.gz PQZLZSBKIPVWTP-SNVBAGLBSA-N 1 2 297.359 -2.564 20 0 CAADLO O=C(CC1CS(=O)(=O)C1)N[C@@H]1CC[N@@H+](CCO)C1 ZINC001015008304 657158656 /nfs/dbraw/zinc/15/86/56/657158656.db2.gz JSXDNYCREOWDBK-SNVBAGLBSA-N 1 2 276.358 -1.396 20 0 CAADLO O=C(CC1CS(=O)(=O)C1)N[C@@H]1CC[N@H+](CCO)C1 ZINC001015008304 657158659 /nfs/dbraw/zinc/15/86/59/657158659.db2.gz JSXDNYCREOWDBK-SNVBAGLBSA-N 1 2 276.358 -1.396 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCC(=O)NC2)C1 ZINC001015045089 657158682 /nfs/dbraw/zinc/15/86/82/657158682.db2.gz TYAKMISRNNNBHC-VHSXEESVSA-N 1 2 282.344 -1.551 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CCC(=O)NC2)C1 ZINC001015045089 657158687 /nfs/dbraw/zinc/15/86/87/657158687.db2.gz TYAKMISRNNNBHC-VHSXEESVSA-N 1 2 282.344 -1.551 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cn2ncn(C)c2=O)C1 ZINC001015005708 657158701 /nfs/dbraw/zinc/15/87/01/657158701.db2.gz WLILRMFBJWIXPU-SECBINFHSA-N 1 2 296.331 -2.482 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)Cn2ncn(C)c2=O)C1 ZINC001015005708 657158707 /nfs/dbraw/zinc/15/87/07/657158707.db2.gz WLILRMFBJWIXPU-SECBINFHSA-N 1 2 296.331 -2.482 20 0 CAADLO CCN1CCOC[C@@H]1C(=O)N[C@H]1CC[N@H+](CC(=O)NC)C1 ZINC001015021396 657158774 /nfs/dbraw/zinc/15/87/74/657158774.db2.gz AGTSKKWBXVHWFL-NWDGAFQWSA-N 1 2 298.387 -1.356 20 0 CAADLO CCN1CCOC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CC(=O)NC)C1 ZINC001015021396 657158783 /nfs/dbraw/zinc/15/87/83/657158783.db2.gz AGTSKKWBXVHWFL-NWDGAFQWSA-N 1 2 298.387 -1.356 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCC(=O)NC2)C1 ZINC001015040871 657159096 /nfs/dbraw/zinc/15/90/96/657159096.db2.gz BZKFXBBCSQLATG-DTWKUNHWSA-N 1 2 268.317 -1.812 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CCC(=O)NC2)C1 ZINC001015040871 657159101 /nfs/dbraw/zinc/15/91/01/657159101.db2.gz BZKFXBBCSQLATG-DTWKUNHWSA-N 1 2 268.317 -1.812 20 0 CAADLO O=C(N[C@@H]1CC[N@H+](CCn2cncn2)C1)c1cn[nH]n1 ZINC001015061538 657160259 /nfs/dbraw/zinc/16/02/59/657160259.db2.gz OKZMLQHNFQAPGQ-SECBINFHSA-N 1 2 276.304 -1.100 20 0 CAADLO O=C(N[C@@H]1CC[N@@H+](CCn2cncn2)C1)c1cn[nH]n1 ZINC001015061538 657160261 /nfs/dbraw/zinc/16/02/61/657160261.db2.gz OKZMLQHNFQAPGQ-SECBINFHSA-N 1 2 276.304 -1.100 20 0 CAADLO O=C(N[C@@H]1CC[N@H+](CCn2cncn2)C1)c1cnn[nH]1 ZINC001015061538 657160266 /nfs/dbraw/zinc/16/02/66/657160266.db2.gz OKZMLQHNFQAPGQ-SECBINFHSA-N 1 2 276.304 -1.100 20 0 CAADLO O=C(N[C@@H]1CC[N@@H+](CCn2cncn2)C1)c1cnn[nH]1 ZINC001015061538 657160268 /nfs/dbraw/zinc/16/02/68/657160268.db2.gz OKZMLQHNFQAPGQ-SECBINFHSA-N 1 2 276.304 -1.100 20 0 CAADLO O=C(N[C@H]1CC[N@H+](CCN2CCNC2=O)C1)c1cn[nH]n1 ZINC001015065682 657162362 /nfs/dbraw/zinc/16/23/62/657162362.db2.gz HDMJXBIPVVLKQG-VIFPVBQESA-N 1 2 293.331 -1.366 20 0 CAADLO O=C(N[C@H]1CC[N@@H+](CCN2CCNC2=O)C1)c1cn[nH]n1 ZINC001015065682 657162364 /nfs/dbraw/zinc/16/23/64/657162364.db2.gz HDMJXBIPVVLKQG-VIFPVBQESA-N 1 2 293.331 -1.366 20 0 CAADLO O=C(N[C@H]1CC[N@H+](CCN2CCNC2=O)C1)c1cnn[nH]1 ZINC001015065682 657162367 /nfs/dbraw/zinc/16/23/67/657162367.db2.gz HDMJXBIPVVLKQG-VIFPVBQESA-N 1 2 293.331 -1.366 20 0 CAADLO O=C(N[C@H]1CC[N@@H+](CCN2CCNC2=O)C1)c1cnn[nH]1 ZINC001015065682 657162370 /nfs/dbraw/zinc/16/23/70/657162370.db2.gz HDMJXBIPVVLKQG-VIFPVBQESA-N 1 2 293.331 -1.366 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)CN2CCCCC2=O)C1 ZINC001015074744 657162606 /nfs/dbraw/zinc/16/26/06/657162606.db2.gz UASLNTICCGUYGG-JTQLQIEISA-N 1 2 282.344 -1.325 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)CN2CCCCC2=O)C1 ZINC001015074744 657162611 /nfs/dbraw/zinc/16/26/11/657162611.db2.gz UASLNTICCGUYGG-JTQLQIEISA-N 1 2 282.344 -1.325 20 0 CAADLO CC(=O)N1CCC[C@@H](C(=O)N[C@H]2CC[N@H+](CC(N)=O)C2)C1 ZINC001015166949 657163262 /nfs/dbraw/zinc/16/32/62/657163262.db2.gz NEADHCRTBSUBTI-NEPJUHHUSA-N 1 2 296.371 -1.079 20 0 CAADLO CC(=O)N1CCC[C@@H](C(=O)N[C@H]2CC[N@@H+](CC(N)=O)C2)C1 ZINC001015166949 657163263 /nfs/dbraw/zinc/16/32/63/657163263.db2.gz NEADHCRTBSUBTI-NEPJUHHUSA-N 1 2 296.371 -1.079 20 0 CAADLO Cn1cncc1C(=O)N[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001015135814 657163369 /nfs/dbraw/zinc/16/33/69/657163369.db2.gz JDJQAKQVEJGHQI-QMMMGPOBSA-N 1 2 251.290 -1.291 20 0 CAADLO Cn1cncc1C(=O)N[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001015135814 657163374 /nfs/dbraw/zinc/16/33/74/657163374.db2.gz JDJQAKQVEJGHQI-QMMMGPOBSA-N 1 2 251.290 -1.291 20 0 CAADLO C[C@H]1[C@H](NC(=O)C(N)=O)CCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001015183458 657163577 /nfs/dbraw/zinc/16/35/77/657163577.db2.gz HKCWNDGUFNYOMY-DTWKUNHWSA-N 1 2 293.327 -1.067 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cncn2C)C1 ZINC001015137788 657163537 /nfs/dbraw/zinc/16/35/37/657163537.db2.gz VUCMXVJJKSSUHD-VIFPVBQESA-N 1 2 265.317 -1.030 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cncn2C)C1 ZINC001015137788 657163542 /nfs/dbraw/zinc/16/35/42/657163542.db2.gz VUCMXVJJKSSUHD-VIFPVBQESA-N 1 2 265.317 -1.030 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCN(C(N)=O)C2)C1 ZINC001015167455 657163966 /nfs/dbraw/zinc/16/39/66/657163966.db2.gz XKOOOJIDGVLUKI-NXEZZACHSA-N 1 2 297.359 -1.547 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCN(C(N)=O)C2)C1 ZINC001015167455 657163969 /nfs/dbraw/zinc/16/39/69/657163969.db2.gz XKOOOJIDGVLUKI-NXEZZACHSA-N 1 2 297.359 -1.547 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001015138586 657163982 /nfs/dbraw/zinc/16/39/82/657163982.db2.gz ZPTNTZXFMCBJLD-MRVPVSSYSA-N 1 2 295.299 -2.375 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001015138586 657163985 /nfs/dbraw/zinc/16/39/85/657163985.db2.gz ZPTNTZXFMCBJLD-MRVPVSSYSA-N 1 2 295.299 -2.375 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cncn2C)C1 ZINC001015137787 657164591 /nfs/dbraw/zinc/16/45/91/657164591.db2.gz VUCMXVJJKSSUHD-SECBINFHSA-N 1 2 265.317 -1.030 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cncn2C)C1 ZINC001015137787 657164597 /nfs/dbraw/zinc/16/45/97/657164597.db2.gz VUCMXVJJKSSUHD-SECBINFHSA-N 1 2 265.317 -1.030 20 0 CAADLO O=C(N[C@H]1CC[N@@H+](CCO)C1)[C@H]1CCS(=O)(=O)C1 ZINC001015170566 657164611 /nfs/dbraw/zinc/16/46/11/657164611.db2.gz KSJXECFAOGZYJS-UWVGGRQHSA-N 1 2 276.358 -1.396 20 0 CAADLO O=C(N[C@H]1CC[N@H+](CCO)C1)[C@H]1CCS(=O)(=O)C1 ZINC001015170566 657164617 /nfs/dbraw/zinc/16/46/17/657164617.db2.gz KSJXECFAOGZYJS-UWVGGRQHSA-N 1 2 276.358 -1.396 20 0 CAADLO C[C@H]1[C@H](NC(=O)C(N)=O)CCCN1C(=O)Cn1cc[nH+]c1 ZINC001015186901 657165569 /nfs/dbraw/zinc/16/55/69/657165569.db2.gz BHGQMEIJZRXLNV-VHSXEESVSA-N 1 2 293.327 -1.136 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ccnc3n[nH]nc32)C1 ZINC001015217207 657165781 /nfs/dbraw/zinc/16/57/81/657165781.db2.gz VWZXMLKKYYQYAG-SSDOTTSWSA-N 1 2 289.299 -1.358 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)c2ccnc3n[nH]nc32)C1 ZINC001015217207 657165792 /nfs/dbraw/zinc/16/57/92/657165792.db2.gz VWZXMLKKYYQYAG-SSDOTTSWSA-N 1 2 289.299 -1.358 20 0 CAADLO CCn1cc(CC(=O)N[C@@H]2CC[N@H+](CC(N)=O)C2)nn1 ZINC001015355756 657166092 /nfs/dbraw/zinc/16/60/92/657166092.db2.gz GZUAARDGSUHUKM-SECBINFHSA-N 1 2 280.332 -1.484 20 0 CAADLO CCn1cc(CC(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C2)nn1 ZINC001015355756 657166096 /nfs/dbraw/zinc/16/60/96/657166096.db2.gz GZUAARDGSUHUKM-SECBINFHSA-N 1 2 280.332 -1.484 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCNC2=O)C1 ZINC001015502303 657167885 /nfs/dbraw/zinc/16/78/85/657167885.db2.gz FIDCUBAOBFBFPK-RKDXNWHRSA-N 1 2 268.317 -1.941 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCNC2=O)C1 ZINC001015502303 657167890 /nfs/dbraw/zinc/16/78/90/657167890.db2.gz FIDCUBAOBFBFPK-RKDXNWHRSA-N 1 2 268.317 -1.941 20 0 CAADLO CN1C(=O)CC[C@H]1CC(=O)N[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001015492208 657168117 /nfs/dbraw/zinc/16/81/17/657168117.db2.gz GOBMOWJOUYJIDM-ZJUUUORDSA-N 1 2 282.344 -1.327 20 0 CAADLO CN1C(=O)CC[C@H]1CC(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001015492208 657168121 /nfs/dbraw/zinc/16/81/21/657168121.db2.gz GOBMOWJOUYJIDM-ZJUUUORDSA-N 1 2 282.344 -1.327 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCNC2=O)C1 ZINC001015502298 657168347 /nfs/dbraw/zinc/16/83/47/657168347.db2.gz FIDCUBAOBFBFPK-DTWKUNHWSA-N 1 2 268.317 -1.941 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCNC2=O)C1 ZINC001015502298 657168354 /nfs/dbraw/zinc/16/83/54/657168354.db2.gz FIDCUBAOBFBFPK-DTWKUNHWSA-N 1 2 268.317 -1.941 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2[nH]nnc2C)C1 ZINC001015479434 657168442 /nfs/dbraw/zinc/16/84/42/657168442.db2.gz IZYBMTHFCHJYGC-QMMMGPOBSA-N 1 2 266.305 -1.337 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)c2[nH]nnc2C)C1 ZINC001015479434 657168445 /nfs/dbraw/zinc/16/84/45/657168445.db2.gz IZYBMTHFCHJYGC-QMMMGPOBSA-N 1 2 266.305 -1.337 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCNC(=O)CC2)C1 ZINC001015403480 657168768 /nfs/dbraw/zinc/16/87/68/657168768.db2.gz MDGRWAMUKBSFDA-QWRGUYRKSA-N 1 2 296.371 -1.161 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCNC(=O)CC2)C1 ZINC001015403480 657168771 /nfs/dbraw/zinc/16/87/71/657168771.db2.gz MDGRWAMUKBSFDA-QWRGUYRKSA-N 1 2 296.371 -1.161 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCNC2=O)C1 ZINC001015512894 657169847 /nfs/dbraw/zinc/16/98/47/657169847.db2.gz XQRXAJXKDGPERD-HTQZYQBOSA-N 1 2 254.290 -2.202 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCNC2=O)C1 ZINC001015512894 657169849 /nfs/dbraw/zinc/16/98/49/657169849.db2.gz XQRXAJXKDGPERD-HTQZYQBOSA-N 1 2 254.290 -2.202 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCNC2=O)C1 ZINC001015512896 657169918 /nfs/dbraw/zinc/16/99/18/657169918.db2.gz XQRXAJXKDGPERD-SFYZADRCSA-N 1 2 254.290 -2.202 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CCNC2=O)C1 ZINC001015512896 657169924 /nfs/dbraw/zinc/16/99/24/657169924.db2.gz XQRXAJXKDGPERD-SFYZADRCSA-N 1 2 254.290 -2.202 20 0 CAADLO Cn1nncc1C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCNC2=O)C1 ZINC001015506881 657170652 /nfs/dbraw/zinc/17/06/52/657170652.db2.gz ZSWVLZSWQBRIFP-ONGXEEELSA-N 1 2 292.343 -1.358 20 0 CAADLO Cn1nncc1C[N@H+]1CC[C@H](NC(=O)[C@H]2CCNC2=O)C1 ZINC001015506881 657170658 /nfs/dbraw/zinc/17/06/58/657170658.db2.gz ZSWVLZSWQBRIFP-ONGXEEELSA-N 1 2 292.343 -1.358 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2nnn(C)n2)C1 ZINC001015551216 657171749 /nfs/dbraw/zinc/17/17/49/657171749.db2.gz UDSYKZFWQASSAA-ZETCQYMHSA-N 1 2 267.293 -2.240 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)c2nnn(C)n2)C1 ZINC001015551216 657171762 /nfs/dbraw/zinc/17/17/62/657171762.db2.gz UDSYKZFWQASSAA-ZETCQYMHSA-N 1 2 267.293 -2.240 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCN(C)C2=O)C1 ZINC001015550489 657171911 /nfs/dbraw/zinc/17/19/11/657171911.db2.gz SULOZBWUHKEOGI-ZJUUUORDSA-N 1 2 282.344 -1.599 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCN(C)C2=O)C1 ZINC001015550489 657171922 /nfs/dbraw/zinc/17/19/22/657171922.db2.gz SULOZBWUHKEOGI-ZJUUUORDSA-N 1 2 282.344 -1.599 20 0 CAADLO CN1C(=O)CC[C@H]1C(=O)N[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001015533133 657172278 /nfs/dbraw/zinc/17/22/78/657172278.db2.gz WMVWSAORYRCBEC-BDAKNGLRSA-N 1 2 268.317 -1.717 20 0 CAADLO CN1C(=O)CC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001015533133 657172285 /nfs/dbraw/zinc/17/22/85/657172285.db2.gz WMVWSAORYRCBEC-BDAKNGLRSA-N 1 2 268.317 -1.717 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)c2nnn(C)n2)C1 ZINC001015550939 657172355 /nfs/dbraw/zinc/17/23/55/657172355.db2.gz GZKSTAQAQVGCQK-NKWVEPMBSA-N 1 2 267.293 -2.112 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)c2nnn(C)n2)C1 ZINC001015550939 657172365 /nfs/dbraw/zinc/17/23/65/657172365.db2.gz GZKSTAQAQVGCQK-NKWVEPMBSA-N 1 2 267.293 -2.112 20 0 CAADLO Cn1nnc(C(=O)N[C@@H]2CC[N@@H+]([C@H]3CCCNC3=O)C2)n1 ZINC001015554311 657172620 /nfs/dbraw/zinc/17/26/20/657172620.db2.gz MFXZRVOHQCENQP-BDAKNGLRSA-N 1 2 293.331 -1.707 20 0 CAADLO Cn1nnc(C(=O)N[C@@H]2CC[N@H+]([C@H]3CCCNC3=O)C2)n1 ZINC001015554311 657172634 /nfs/dbraw/zinc/17/26/34/657172634.db2.gz MFXZRVOHQCENQP-BDAKNGLRSA-N 1 2 293.331 -1.707 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCN(C)C2=O)C1 ZINC001015550487 657172653 /nfs/dbraw/zinc/17/26/53/657172653.db2.gz SULOZBWUHKEOGI-UWVGGRQHSA-N 1 2 282.344 -1.599 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCN(C)C2=O)C1 ZINC001015550487 657172660 /nfs/dbraw/zinc/17/26/60/657172660.db2.gz SULOZBWUHKEOGI-UWVGGRQHSA-N 1 2 282.344 -1.599 20 0 CAADLO Cn1c(C(=O)N[C@@H]2CC[N@H+](CC(N)=O)C2)c[nH]c1=O ZINC001015526340 657172706 /nfs/dbraw/zinc/17/27/06/657172706.db2.gz ZVKJKUMRSOFJFZ-SSDOTTSWSA-N 1 2 267.289 -1.585 20 0 CAADLO Cn1c(C(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C2)c[nH]c1=O ZINC001015526340 657172710 /nfs/dbraw/zinc/17/27/10/657172710.db2.gz ZVKJKUMRSOFJFZ-SSDOTTSWSA-N 1 2 267.289 -1.585 20 0 CAADLO Cn1cncc1C[N@H+]1CC[C@H](NC(=O)c2nnn(C)n2)C1 ZINC001015545172 657172758 /nfs/dbraw/zinc/17/27/58/657172758.db2.gz JHYVZDWWOFDJGC-VIFPVBQESA-N 1 2 290.331 -1.052 20 0 CAADLO Cn1cncc1C[N@@H+]1CC[C@H](NC(=O)c2nnn(C)n2)C1 ZINC001015545172 657172765 /nfs/dbraw/zinc/17/27/65/657172765.db2.gz JHYVZDWWOFDJGC-VIFPVBQESA-N 1 2 290.331 -1.052 20 0 CAADLO Cn1c[nH+]cc1CN1CC[C@H](NC(=O)c2nnn(C)n2)C1 ZINC001015545172 657172773 /nfs/dbraw/zinc/17/27/73/657172773.db2.gz JHYVZDWWOFDJGC-VIFPVBQESA-N 1 2 290.331 -1.052 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)c2nnn(C)n2)C1 ZINC001015550941 657173009 /nfs/dbraw/zinc/17/30/09/657173009.db2.gz GZKSTAQAQVGCQK-RQJHMYQMSA-N 1 2 267.293 -2.112 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)c2nnn(C)n2)C1 ZINC001015550941 657173024 /nfs/dbraw/zinc/17/30/24/657173024.db2.gz GZKSTAQAQVGCQK-RQJHMYQMSA-N 1 2 267.293 -2.112 20 0 CAADLO CC[C@@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)c2nnn(C)n2)C1 ZINC001015553676 657173269 /nfs/dbraw/zinc/17/32/69/657173269.db2.gz IBRSVSRINBQUEZ-YUMQZZPRSA-N 1 2 281.320 -1.722 20 0 CAADLO CC[C@@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)c2nnn(C)n2)C1 ZINC001015553676 657173274 /nfs/dbraw/zinc/17/32/74/657173274.db2.gz IBRSVSRINBQUEZ-YUMQZZPRSA-N 1 2 281.320 -1.722 20 0 CAADLO Cn1nnc(C(=O)N[C@H]2CC[N@@H+]([C@@H]3CCNC3=O)C2)n1 ZINC001015554839 657174622 /nfs/dbraw/zinc/17/46/22/657174622.db2.gz QHEQJXSZGNWMNR-JGVFFNPUSA-N 1 2 279.304 -2.097 20 0 CAADLO Cn1nnc(C(=O)N[C@H]2CC[N@H+]([C@@H]3CCNC3=O)C2)n1 ZINC001015554839 657174628 /nfs/dbraw/zinc/17/46/28/657174628.db2.gz QHEQJXSZGNWMNR-JGVFFNPUSA-N 1 2 279.304 -2.097 20 0 CAADLO CN1C(=O)CC[C@@H]1C(=O)N[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001015602632 657174687 /nfs/dbraw/zinc/17/46/87/657174687.db2.gz WMVWSAORYRCBEC-RKDXNWHRSA-N 1 2 268.317 -1.717 20 0 CAADLO CN1C(=O)CC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001015602632 657174690 /nfs/dbraw/zinc/17/46/90/657174690.db2.gz WMVWSAORYRCBEC-RKDXNWHRSA-N 1 2 268.317 -1.717 20 0 CAADLO C[C@@]1(C(=O)N[C@@H]2CC[N@H+](CC(N)=O)C2)CCC(=O)NC1 ZINC001015593164 657174986 /nfs/dbraw/zinc/17/49/86/657174986.db2.gz UXKHEAZLMYVEIA-NOZJJQNGSA-N 1 2 282.344 -1.422 20 0 CAADLO C[C@@]1(C(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C2)CCC(=O)NC1 ZINC001015593164 657174996 /nfs/dbraw/zinc/17/49/96/657174996.db2.gz UXKHEAZLMYVEIA-NOZJJQNGSA-N 1 2 282.344 -1.422 20 0 CAADLO Cc1nc[nH]c(=O)c1C(=O)N[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001015585616 657175161 /nfs/dbraw/zinc/17/51/61/657175161.db2.gz ADYAWRIESWFWGB-QMMMGPOBSA-N 1 2 279.300 -1.220 20 0 CAADLO Cc1nc[nH]c(=O)c1C(=O)N[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001015585616 657175169 /nfs/dbraw/zinc/17/51/69/657175169.db2.gz ADYAWRIESWFWGB-QMMMGPOBSA-N 1 2 279.300 -1.220 20 0 CAADLO CN1CC[C@H](C(=O)N[C@H]2CC[N@H+](CC(N)=O)C2)C1=O ZINC001015562267 657175333 /nfs/dbraw/zinc/17/53/33/657175333.db2.gz BKVHVVCHPFYSHZ-DTWKUNHWSA-N 1 2 268.317 -1.860 20 0 CAADLO CN1CC[C@H](C(=O)N[C@H]2CC[N@@H+](CC(N)=O)C2)C1=O ZINC001015562267 657175337 /nfs/dbraw/zinc/17/53/37/657175337.db2.gz BKVHVVCHPFYSHZ-DTWKUNHWSA-N 1 2 268.317 -1.860 20 0 CAADLO C[C@]1(C(=O)N[C@H]2CC[N@H+](CC(N)=O)C2)CCC(=O)NC1 ZINC001015593167 657175346 /nfs/dbraw/zinc/17/53/46/657175346.db2.gz UXKHEAZLMYVEIA-ZANVPECISA-N 1 2 282.344 -1.422 20 0 CAADLO C[C@]1(C(=O)N[C@H]2CC[N@@H+](CC(N)=O)C2)CCC(=O)NC1 ZINC001015593167 657175351 /nfs/dbraw/zinc/17/53/51/657175351.db2.gz UXKHEAZLMYVEIA-ZANVPECISA-N 1 2 282.344 -1.422 20 0 CAADLO C[C@]1(C(=O)N[C@@H]2CC[N@H+](CC(N)=O)C2)CCC(=O)NC1 ZINC001015593165 657175449 /nfs/dbraw/zinc/17/54/49/657175449.db2.gz UXKHEAZLMYVEIA-RNCFNFMXSA-N 1 2 282.344 -1.422 20 0 CAADLO C[C@]1(C(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C2)CCC(=O)NC1 ZINC001015593165 657175453 /nfs/dbraw/zinc/17/54/53/657175453.db2.gz UXKHEAZLMYVEIA-RNCFNFMXSA-N 1 2 282.344 -1.422 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCC(=O)N2C)C1 ZINC001015600032 657175469 /nfs/dbraw/zinc/17/54/69/657175469.db2.gz YMJIQHBOMLFRLN-NXEZZACHSA-N 1 2 282.344 -1.456 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CCC(=O)N2C)C1 ZINC001015600032 657175473 /nfs/dbraw/zinc/17/54/73/657175473.db2.gz YMJIQHBOMLFRLN-NXEZZACHSA-N 1 2 282.344 -1.456 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@]2(C)CCC(=O)NC2)C1 ZINC001015592687 657175524 /nfs/dbraw/zinc/17/55/24/657175524.db2.gz NZWZRHPZRWVBGN-IINYFYTJSA-N 1 2 296.371 -1.161 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@]2(C)CCC(=O)NC2)C1 ZINC001015592687 657175534 /nfs/dbraw/zinc/17/55/34/657175534.db2.gz NZWZRHPZRWVBGN-IINYFYTJSA-N 1 2 296.371 -1.161 20 0 CAADLO CN1CC[C@@H](C(=O)N[C@@H]2CC[N@H+](CC(N)=O)C2)C1=O ZINC001015562266 657175745 /nfs/dbraw/zinc/17/57/45/657175745.db2.gz BKVHVVCHPFYSHZ-BDAKNGLRSA-N 1 2 268.317 -1.860 20 0 CAADLO CN1CC[C@@H](C(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C2)C1=O ZINC001015562266 657175749 /nfs/dbraw/zinc/17/57/49/657175749.db2.gz BKVHVVCHPFYSHZ-BDAKNGLRSA-N 1 2 268.317 -1.860 20 0 CAADLO C[C@@H](C(=O)N(C)C)[N@@H+]1CC[C@@H](NC(=O)c2nnn(C)n2)C1 ZINC001015554606 657175934 /nfs/dbraw/zinc/17/59/34/657175934.db2.gz ORBJTEXQNHSOHN-DTWKUNHWSA-N 1 2 295.347 -1.509 20 0 CAADLO C[C@@H](C(=O)N(C)C)[N@H+]1CC[C@@H](NC(=O)c2nnn(C)n2)C1 ZINC001015554606 657175939 /nfs/dbraw/zinc/17/59/39/657175939.db2.gz ORBJTEXQNHSOHN-DTWKUNHWSA-N 1 2 295.347 -1.509 20 0 CAADLO Cn1nccc1C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001015633780 657177611 /nfs/dbraw/zinc/17/76/11/657177611.db2.gz IRNBFDDLPLHGOE-ONGXEEELSA-N 1 2 292.343 -1.208 20 0 CAADLO Cn1nccc1C[N@H+]1CC[C@H](NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001015633780 657177620 /nfs/dbraw/zinc/17/76/20/657177620.db2.gz IRNBFDDLPLHGOE-ONGXEEELSA-N 1 2 292.343 -1.208 20 0 CAADLO NC(=O)C(=O)N[C@H]1CC[N@H+](CC(=O)NC2CC2)C1 ZINC001015637298 657177806 /nfs/dbraw/zinc/17/78/06/657177806.db2.gz LMPILKGOCFPMPF-QMMMGPOBSA-N 1 2 254.290 -2.059 20 0 CAADLO NC(=O)C(=O)N[C@H]1CC[N@@H+](CC(=O)NC2CC2)C1 ZINC001015637298 657177808 /nfs/dbraw/zinc/17/78/08/657177808.db2.gz LMPILKGOCFPMPF-QMMMGPOBSA-N 1 2 254.290 -2.059 20 0 CAADLO Cn1nccc1C[N@@H+]1CC[C@H](NC(=O)C(N)=O)C1 ZINC001015637097 657178715 /nfs/dbraw/zinc/17/87/15/657178715.db2.gz IXOMQVUSSCLIAA-QMMMGPOBSA-N 1 2 251.290 -1.404 20 0 CAADLO Cn1nccc1C[N@H+]1CC[C@H](NC(=O)C(N)=O)C1 ZINC001015637097 657178721 /nfs/dbraw/zinc/17/87/21/657178721.db2.gz IXOMQVUSSCLIAA-QMMMGPOBSA-N 1 2 251.290 -1.404 20 0 CAADLO Cn1nncc1C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001015635798 657179071 /nfs/dbraw/zinc/17/90/71/657179071.db2.gz WYFOQKBCZRFLGP-WPRPVWTQSA-N 1 2 293.331 -1.813 20 0 CAADLO Cn1nncc1C[N@H+]1CC[C@H](NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001015635798 657179079 /nfs/dbraw/zinc/17/90/79/657179079.db2.gz WYFOQKBCZRFLGP-WPRPVWTQSA-N 1 2 293.331 -1.813 20 0 CAADLO Cc1cc(C[N@@H+]2CC[C@@H](NC(=O)C(N)=O)C2)ncn1 ZINC001015639440 657181373 /nfs/dbraw/zinc/18/13/73/657181373.db2.gz DAPCNCXKAJMVFT-SECBINFHSA-N 1 2 263.301 -1.039 20 0 CAADLO Cc1cc(C[N@H+]2CC[C@@H](NC(=O)C(N)=O)C2)ncn1 ZINC001015639440 657181377 /nfs/dbraw/zinc/18/13/77/657181377.db2.gz DAPCNCXKAJMVFT-SECBINFHSA-N 1 2 263.301 -1.039 20 0 CAADLO NC(=O)C(=O)N[C@H]1CC[N@H+](CC(=O)N2CCOCC2)C1 ZINC001015638111 657181514 /nfs/dbraw/zinc/18/15/14/657181514.db2.gz YGLGYLROWYGEAJ-VIFPVBQESA-N 1 2 284.316 -2.479 20 0 CAADLO NC(=O)C(=O)N[C@H]1CC[N@@H+](CC(=O)N2CCOCC2)C1 ZINC001015638111 657181520 /nfs/dbraw/zinc/18/15/20/657181520.db2.gz YGLGYLROWYGEAJ-VIFPVBQESA-N 1 2 284.316 -2.479 20 0 CAADLO NC(=O)C(=O)N[C@H]1CC[N@H+](C[C@H]2CCS(=O)(=O)C2)C1 ZINC001015640813 657181758 /nfs/dbraw/zinc/18/17/58/657181758.db2.gz RHXXHGCZOOSSJL-BDAKNGLRSA-N 1 2 289.357 -1.903 20 0 CAADLO NC(=O)C(=O)N[C@H]1CC[N@@H+](C[C@H]2CCS(=O)(=O)C2)C1 ZINC001015640813 657181762 /nfs/dbraw/zinc/18/17/62/657181762.db2.gz RHXXHGCZOOSSJL-BDAKNGLRSA-N 1 2 289.357 -1.903 20 0 CAADLO Cc1cc(C[N@@H+]2CC[C@H](NC(=O)C(N)=O)C2)ncn1 ZINC001015639441 657181779 /nfs/dbraw/zinc/18/17/79/657181779.db2.gz DAPCNCXKAJMVFT-VIFPVBQESA-N 1 2 263.301 -1.039 20 0 CAADLO Cc1cc(C[N@H+]2CC[C@H](NC(=O)C(N)=O)C2)ncn1 ZINC001015639441 657181785 /nfs/dbraw/zinc/18/17/85/657181785.db2.gz DAPCNCXKAJMVFT-VIFPVBQESA-N 1 2 263.301 -1.039 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@]2(C)CCNC2=O)C1 ZINC001015695677 657182486 /nfs/dbraw/zinc/18/24/86/657182486.db2.gz NKQRKDXHZQMGAT-TVQRCGJNSA-N 1 2 282.344 -1.551 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@]2(C)CCNC2=O)C1 ZINC001015695677 657182476 /nfs/dbraw/zinc/18/24/76/657182476.db2.gz NKQRKDXHZQMGAT-TVQRCGJNSA-N 1 2 282.344 -1.551 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@]2(C)CCC(=O)N2)C1 ZINC001015663882 657182633 /nfs/dbraw/zinc/18/26/33/657182633.db2.gz YJGCNCWNSIQZTJ-ZANVPECISA-N 1 2 282.344 -1.408 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@]2(C)CCC(=O)N2)C1 ZINC001015663882 657182639 /nfs/dbraw/zinc/18/26/39/657182639.db2.gz YJGCNCWNSIQZTJ-ZANVPECISA-N 1 2 282.344 -1.408 20 0 CAADLO C[C@@H](C(=O)N(C)C)[N@@H+]1CC[C@H](NC(=O)C(N)=O)C1 ZINC001015642026 657182696 /nfs/dbraw/zinc/18/26/96/657182696.db2.gz QMPVGKGSJXSOJX-YUMQZZPRSA-N 1 2 256.306 -1.861 20 0 CAADLO C[C@@H](C(=O)N(C)C)[N@H+]1CC[C@H](NC(=O)C(N)=O)C1 ZINC001015642026 657182703 /nfs/dbraw/zinc/18/27/03/657182703.db2.gz QMPVGKGSJXSOJX-YUMQZZPRSA-N 1 2 256.306 -1.861 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cn(C)c(=O)[nH]2)C1 ZINC001015657424 657183022 /nfs/dbraw/zinc/18/30/22/657183022.db2.gz OVRMPHSDRDRFPV-QMMMGPOBSA-N 1 2 281.316 -1.324 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cn(C)c(=O)[nH]2)C1 ZINC001015657424 657183026 /nfs/dbraw/zinc/18/30/26/657183026.db2.gz OVRMPHSDRDRFPV-QMMMGPOBSA-N 1 2 281.316 -1.324 20 0 CAADLO CN1CC(C(=O)N[C@@H]2CC[N@H+](CCO)C2)=NC1=O ZINC001015657958 657183136 /nfs/dbraw/zinc/18/31/36/657183136.db2.gz DDOBEVRQPGVVEC-MRVPVSSYSA-N 1 2 254.290 -1.078 20 0 CAADLO CN1CC(C(=O)N[C@@H]2CC[N@@H+](CCO)C2)=NC1=O ZINC001015657958 657183140 /nfs/dbraw/zinc/18/31/40/657183140.db2.gz DDOBEVRQPGVVEC-MRVPVSSYSA-N 1 2 254.290 -1.078 20 0 CAADLO C[C@H]1CN(C(=O)C[N@@H+]2CC[C@@H](NC(=O)C(N)=O)C2)CCO1 ZINC001015641638 657183760 /nfs/dbraw/zinc/18/37/60/657183760.db2.gz LRRDGTJLMHFNAC-VHSXEESVSA-N 1 2 298.343 -2.091 20 0 CAADLO C[C@H]1CN(C(=O)C[N@H+]2CC[C@@H](NC(=O)C(N)=O)C2)CCO1 ZINC001015641638 657183769 /nfs/dbraw/zinc/18/37/69/657183769.db2.gz LRRDGTJLMHFNAC-VHSXEESVSA-N 1 2 298.343 -2.091 20 0 CAADLO CC(C)N1CC[C@@H]([N@@H+]2CC[C@@H](NC(=O)C(N)=O)C2)C1=O ZINC001015641275 657183798 /nfs/dbraw/zinc/18/37/98/657183798.db2.gz HSGHPOVXFZEANF-NXEZZACHSA-N 1 2 282.344 -1.329 20 0 CAADLO CC(C)N1CC[C@@H]([N@H+]2CC[C@@H](NC(=O)C(N)=O)C2)C1=O ZINC001015641275 657183806 /nfs/dbraw/zinc/18/38/06/657183806.db2.gz HSGHPOVXFZEANF-NXEZZACHSA-N 1 2 282.344 -1.329 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCCC(=O)N2)C1 ZINC001015688072 657183864 /nfs/dbraw/zinc/18/38/64/657183864.db2.gz VPJWECRMQAQINV-ZJUUUORDSA-N 1 2 282.344 -1.279 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCCC(=O)N2)C1 ZINC001015688072 657183870 /nfs/dbraw/zinc/18/38/70/657183870.db2.gz VPJWECRMQAQINV-ZJUUUORDSA-N 1 2 282.344 -1.279 20 0 CAADLO NC(=O)C(=O)N[C@H]1CC[N@@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001015641129 657184246 /nfs/dbraw/zinc/18/42/46/657184246.db2.gz ZBFBVIPKTBLZTN-BQBZGAKWSA-N 1 2 268.273 -2.533 20 0 CAADLO NC(=O)C(=O)N[C@H]1CC[N@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001015641129 657184260 /nfs/dbraw/zinc/18/42/60/657184260.db2.gz ZBFBVIPKTBLZTN-BQBZGAKWSA-N 1 2 268.273 -2.533 20 0 CAADLO CC(C)N1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)C(N)=O)C2)C1=O ZINC001015641350 657184306 /nfs/dbraw/zinc/18/43/06/657184306.db2.gz HSGHPOVXFZEANF-VHSXEESVSA-N 1 2 282.344 -1.329 20 0 CAADLO CC(C)N1CC[C@@H]([N@H+]2CC[C@H](NC(=O)C(N)=O)C2)C1=O ZINC001015641350 657184313 /nfs/dbraw/zinc/18/43/13/657184313.db2.gz HSGHPOVXFZEANF-VHSXEESVSA-N 1 2 282.344 -1.329 20 0 CAADLO C[C@H](C(=O)N(C)C)[N@@H+]1CC[C@@H](NC(=O)C(N)=O)C1 ZINC001015642023 657184382 /nfs/dbraw/zinc/18/43/82/657184382.db2.gz QMPVGKGSJXSOJX-HTQZYQBOSA-N 1 2 256.306 -1.861 20 0 CAADLO C[C@H](C(=O)N(C)C)[N@H+]1CC[C@@H](NC(=O)C(N)=O)C1 ZINC001015642023 657184388 /nfs/dbraw/zinc/18/43/88/657184388.db2.gz QMPVGKGSJXSOJX-HTQZYQBOSA-N 1 2 256.306 -1.861 20 0 CAADLO CC(C)N1CC[C@H]([N@@H+]2CC[C@H](NC(=O)C(N)=O)C2)C1=O ZINC001015641276 657184467 /nfs/dbraw/zinc/18/44/67/657184467.db2.gz HSGHPOVXFZEANF-UWVGGRQHSA-N 1 2 282.344 -1.329 20 0 CAADLO CC(C)N1CC[C@H]([N@H+]2CC[C@H](NC(=O)C(N)=O)C2)C1=O ZINC001015641276 657184472 /nfs/dbraw/zinc/18/44/72/657184472.db2.gz HSGHPOVXFZEANF-UWVGGRQHSA-N 1 2 282.344 -1.329 20 0 CAADLO NC(=O)C(=O)N[C@H]1CC[N@@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001015641130 657184517 /nfs/dbraw/zinc/18/45/17/657184517.db2.gz ZBFBVIPKTBLZTN-NKWVEPMBSA-N 1 2 268.273 -2.533 20 0 CAADLO NC(=O)C(=O)N[C@H]1CC[N@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001015641130 657184521 /nfs/dbraw/zinc/18/45/21/657184521.db2.gz ZBFBVIPKTBLZTN-NKWVEPMBSA-N 1 2 268.273 -2.533 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001015696197 657184621 /nfs/dbraw/zinc/18/46/21/657184621.db2.gz WQCPIRSPNNSRPD-LPEHRKFASA-N 1 2 298.343 -2.044 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001015696197 657184634 /nfs/dbraw/zinc/18/46/34/657184634.db2.gz WQCPIRSPNNSRPD-LPEHRKFASA-N 1 2 298.343 -2.044 20 0 CAADLO C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](NC(=O)C(N)=O)C2)CCO1 ZINC001015641641 657184733 /nfs/dbraw/zinc/18/47/33/657184733.db2.gz LRRDGTJLMHFNAC-ZJUUUORDSA-N 1 2 298.343 -2.091 20 0 CAADLO C[C@@H]1CN(C(=O)C[N@H+]2CC[C@H](NC(=O)C(N)=O)C2)CCO1 ZINC001015641641 657184744 /nfs/dbraw/zinc/18/47/44/657184744.db2.gz LRRDGTJLMHFNAC-ZJUUUORDSA-N 1 2 298.343 -2.091 20 0 CAADLO C[C@H]1CN(C(=O)C[N@@H+]2CC[C@H](NC(=O)C(N)=O)C2)CCO1 ZINC001015641636 657184772 /nfs/dbraw/zinc/18/47/72/657184772.db2.gz LRRDGTJLMHFNAC-UWVGGRQHSA-N 1 2 298.343 -2.091 20 0 CAADLO C[C@H]1CN(C(=O)C[N@H+]2CC[C@H](NC(=O)C(N)=O)C2)CCO1 ZINC001015641636 657184781 /nfs/dbraw/zinc/18/47/81/657184781.db2.gz LRRDGTJLMHFNAC-UWVGGRQHSA-N 1 2 298.343 -2.091 20 0 CAADLO C[C@@H](C(=O)N(C)C)[N@@H+]1CC[C@@H](NC(=O)C(N)=O)C1 ZINC001015642024 657184807 /nfs/dbraw/zinc/18/48/07/657184807.db2.gz QMPVGKGSJXSOJX-JGVFFNPUSA-N 1 2 256.306 -1.861 20 0 CAADLO C[C@@H](C(=O)N(C)C)[N@H+]1CC[C@@H](NC(=O)C(N)=O)C1 ZINC001015642024 657184813 /nfs/dbraw/zinc/18/48/13/657184813.db2.gz QMPVGKGSJXSOJX-JGVFFNPUSA-N 1 2 256.306 -1.861 20 0 CAADLO NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1CC[N@H+](CC(=O)NC2CC2)C1 ZINC001015711838 657185608 /nfs/dbraw/zinc/18/56/08/657185608.db2.gz RODMECQVFIVYOL-MXWKQRLJSA-N 1 2 294.355 -1.423 20 0 CAADLO NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1CC[N@@H+](CC(=O)NC2CC2)C1 ZINC001015711838 657185613 /nfs/dbraw/zinc/18/56/13/657185613.db2.gz RODMECQVFIVYOL-MXWKQRLJSA-N 1 2 294.355 -1.423 20 0 CAADLO Cn1nnnc1CN1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001015765187 657185664 /nfs/dbraw/zinc/18/56/64/657185664.db2.gz LUONCHWFMBSBJA-SECBINFHSA-N 1 2 290.331 -1.134 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001015770913 657186397 /nfs/dbraw/zinc/18/63/97/657186397.db2.gz VJTLHLQYWYJSPB-SFYZADRCSA-N 1 2 297.315 -2.479 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001015770913 657186409 /nfs/dbraw/zinc/18/64/09/657186409.db2.gz VJTLHLQYWYJSPB-SFYZADRCSA-N 1 2 297.315 -2.479 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)C2)C1 ZINC001015716431 657186636 /nfs/dbraw/zinc/18/66/36/657186636.db2.gz UVGGPULUJJWEJQ-VWYCJHECSA-N 1 2 296.371 -1.176 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)C2)C1 ZINC001015716431 657186638 /nfs/dbraw/zinc/18/66/38/657186638.db2.gz UVGGPULUJJWEJQ-VWYCJHECSA-N 1 2 296.371 -1.176 20 0 CAADLO O=C(N[C@H]1CC[N@@H+](CCO)C1)[C@H]1CCCS(=O)(=O)C1 ZINC001015786988 657186671 /nfs/dbraw/zinc/18/66/71/657186671.db2.gz RCVAMDXMNPNHNV-QWRGUYRKSA-N 1 2 290.385 -1.006 20 0 CAADLO O=C(N[C@H]1CC[N@H+](CCO)C1)[C@H]1CCCS(=O)(=O)C1 ZINC001015786988 657186675 /nfs/dbraw/zinc/18/66/75/657186675.db2.gz RCVAMDXMNPNHNV-QWRGUYRKSA-N 1 2 290.385 -1.006 20 0 CAADLO CCCN1C[C@@H](C(=O)N[C@H]2CC[N@H+](CC(N)=O)C2)CC1=O ZINC001015775349 657186694 /nfs/dbraw/zinc/18/66/94/657186694.db2.gz LFJZGTRJNFWQOJ-QWRGUYRKSA-N 1 2 296.371 -1.079 20 0 CAADLO CCCN1C[C@@H](C(=O)N[C@H]2CC[N@@H+](CC(N)=O)C2)CC1=O ZINC001015775349 657186699 /nfs/dbraw/zinc/18/66/99/657186699.db2.gz LFJZGTRJNFWQOJ-QWRGUYRKSA-N 1 2 296.371 -1.079 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H]2C[C@H]2C(=O)N(C)C)C1 ZINC001015707871 657186713 /nfs/dbraw/zinc/18/67/13/657186713.db2.gz UTQLGNAIWFZIQT-GARJFASQSA-N 1 2 296.371 -1.353 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@H]2C[C@H]2C(=O)N(C)C)C1 ZINC001015707871 657186715 /nfs/dbraw/zinc/18/67/15/657186715.db2.gz UTQLGNAIWFZIQT-GARJFASQSA-N 1 2 296.371 -1.353 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)c2ccc(C(N)=O)[nH]2)C1 ZINC001015711243 657186805 /nfs/dbraw/zinc/18/68/05/657186805.db2.gz AMXMNTDVOVSXOZ-YUMQZZPRSA-N 1 2 293.327 -1.209 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)c2ccc(C(N)=O)[nH]2)C1 ZINC001015711243 657186810 /nfs/dbraw/zinc/18/68/10/657186810.db2.gz AMXMNTDVOVSXOZ-YUMQZZPRSA-N 1 2 293.327 -1.209 20 0 CAADLO Cc1ccn(CC(=O)N[C@H]2CC[N@H+](CC(N)=O)C2)n1 ZINC001015718142 657186820 /nfs/dbraw/zinc/18/68/20/657186820.db2.gz ICRBCGLQHWRPLX-JTQLQIEISA-N 1 2 265.317 -1.133 20 0 CAADLO Cc1ccn(CC(=O)N[C@H]2CC[N@@H+](CC(N)=O)C2)n1 ZINC001015718142 657186825 /nfs/dbraw/zinc/18/68/25/657186825.db2.gz ICRBCGLQHWRPLX-JTQLQIEISA-N 1 2 265.317 -1.133 20 0 CAADLO Cc1ccnn1CC(=O)N[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001015777334 657186855 /nfs/dbraw/zinc/18/68/55/657186855.db2.gz LBXLYJFTDNBDDA-JTQLQIEISA-N 1 2 265.317 -1.133 20 0 CAADLO Cc1ccnn1CC(=O)N[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001015777334 657186859 /nfs/dbraw/zinc/18/68/59/657186859.db2.gz LBXLYJFTDNBDDA-JTQLQIEISA-N 1 2 265.317 -1.133 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ccc(C(N)=O)[nH]2)C1 ZINC001015713811 657186993 /nfs/dbraw/zinc/18/69/93/657186993.db2.gz RGKBFMSLWDKINP-SSDOTTSWSA-N 1 2 279.300 -1.597 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)c2ccc(C(N)=O)[nH]2)C1 ZINC001015713811 657186997 /nfs/dbraw/zinc/18/69/97/657186997.db2.gz RGKBFMSLWDKINP-SSDOTTSWSA-N 1 2 279.300 -1.597 20 0 CAADLO Cc1ccn(CC(=O)N[C@H]2CC[N@H+](CC(N)=O)C2)c(=O)c1 ZINC001015778931 657187017 /nfs/dbraw/zinc/18/70/17/657187017.db2.gz WTWHCROXGQUYSV-NSHDSACASA-N 1 2 292.339 -1.167 20 0 CAADLO Cc1ccn(CC(=O)N[C@H]2CC[N@@H+](CC(N)=O)C2)c(=O)c1 ZINC001015778931 657187023 /nfs/dbraw/zinc/18/70/23/657187023.db2.gz WTWHCROXGQUYSV-NSHDSACASA-N 1 2 292.339 -1.167 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)c2cnn(C)n2)C1 ZINC001015840722 657187717 /nfs/dbraw/zinc/18/77/17/657187717.db2.gz BOAIKQVKDJAQAB-YUMQZZPRSA-N 1 2 266.305 -1.507 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)c2cnn(C)n2)C1 ZINC001015840722 657187722 /nfs/dbraw/zinc/18/77/22/657187722.db2.gz BOAIKQVKDJAQAB-YUMQZZPRSA-N 1 2 266.305 -1.507 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cnn(C)n2)C1 ZINC001015843257 657187854 /nfs/dbraw/zinc/18/78/54/657187854.db2.gz YDUCPLMVHOTEBA-QMMMGPOBSA-N 1 2 266.305 -1.635 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cnn(C)n2)C1 ZINC001015843257 657187859 /nfs/dbraw/zinc/18/78/59/657187859.db2.gz YDUCPLMVHOTEBA-QMMMGPOBSA-N 1 2 266.305 -1.635 20 0 CAADLO Cn1ncc(C(=O)N[C@H]2CC[N@H+](CC(=O)NC3CC3)C2)n1 ZINC001015843499 657188057 /nfs/dbraw/zinc/18/80/57/657188057.db2.gz ACFUCSHUMCSGTG-JTQLQIEISA-N 1 2 292.343 -1.102 20 0 CAADLO Cn1ncc(C(=O)N[C@H]2CC[N@@H+](CC(=O)NC3CC3)C2)n1 ZINC001015843499 657188065 /nfs/dbraw/zinc/18/80/65/657188065.db2.gz ACFUCSHUMCSGTG-JTQLQIEISA-N 1 2 292.343 -1.102 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)c2cnn(C)n2)C1 ZINC001015840721 657188363 /nfs/dbraw/zinc/18/83/63/657188363.db2.gz BOAIKQVKDJAQAB-SFYZADRCSA-N 1 2 266.305 -1.507 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)c2cnn(C)n2)C1 ZINC001015840721 657188369 /nfs/dbraw/zinc/18/83/69/657188369.db2.gz BOAIKQVKDJAQAB-SFYZADRCSA-N 1 2 266.305 -1.507 20 0 CAADLO Cn1ncc(C(=O)N[C@H]2CC[N@@H+]([C@@H]3CCN(C)C3=O)C2)n1 ZINC001015841404 657188700 /nfs/dbraw/zinc/18/87/00/657188700.db2.gz FWXGQXDLSIOGGQ-GXSJLCMTSA-N 1 2 292.343 -1.150 20 0 CAADLO Cn1ncc(C(=O)N[C@H]2CC[N@H+]([C@@H]3CCN(C)C3=O)C2)n1 ZINC001015841404 657188705 /nfs/dbraw/zinc/18/87/05/657188705.db2.gz FWXGQXDLSIOGGQ-GXSJLCMTSA-N 1 2 292.343 -1.150 20 0 CAADLO Cn1ncc(C(=O)N[C@@H]2CC[N@@H+]([C@H]3CCN(C)C3=O)C2)n1 ZINC001015841406 657188713 /nfs/dbraw/zinc/18/87/13/657188713.db2.gz FWXGQXDLSIOGGQ-KOLCDFICSA-N 1 2 292.343 -1.150 20 0 CAADLO Cn1ncc(C(=O)N[C@@H]2CC[N@H+]([C@H]3CCN(C)C3=O)C2)n1 ZINC001015841406 657188717 /nfs/dbraw/zinc/18/87/17/657188717.db2.gz FWXGQXDLSIOGGQ-KOLCDFICSA-N 1 2 292.343 -1.150 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)CN2CC(=O)NC2=O)C1 ZINC001015865848 657189786 /nfs/dbraw/zinc/18/97/86/657189786.db2.gz HQZUBGMKQKJFLG-ZETCQYMHSA-N 1 2 283.288 -2.786 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)CN2CC(=O)NC2=O)C1 ZINC001015865848 657189788 /nfs/dbraw/zinc/18/97/88/657189788.db2.gz HQZUBGMKQKJFLG-ZETCQYMHSA-N 1 2 283.288 -2.786 20 0 CAADLO Cn1ncc(C(=O)N[C@@H]2CC[N@H+](CC(=O)N3CCC3)C2)n1 ZINC001015845114 657191469 /nfs/dbraw/zinc/19/14/69/657191469.db2.gz MPKGZPMELLRYAD-SNVBAGLBSA-N 1 2 292.343 -1.149 20 0 CAADLO Cn1ncc(C(=O)N[C@@H]2CC[N@@H+](CC(=O)N3CCC3)C2)n1 ZINC001015845114 657191472 /nfs/dbraw/zinc/19/14/72/657191472.db2.gz MPKGZPMELLRYAD-SNVBAGLBSA-N 1 2 292.343 -1.149 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cc(C(N)=O)c[nH]2)C1 ZINC001015907074 657192290 /nfs/dbraw/zinc/19/22/90/657192290.db2.gz FLMSZDUSSZBSOF-QMMMGPOBSA-N 1 2 279.300 -1.597 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)c2cc(C(N)=O)c[nH]2)C1 ZINC001015907074 657192296 /nfs/dbraw/zinc/19/22/96/657192296.db2.gz FLMSZDUSSZBSOF-QMMMGPOBSA-N 1 2 279.300 -1.597 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cc(C(N)=O)c[nH]2)C1 ZINC001015907073 657192678 /nfs/dbraw/zinc/19/26/78/657192678.db2.gz FLMSZDUSSZBSOF-MRVPVSSYSA-N 1 2 279.300 -1.597 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cc(C(N)=O)c[nH]2)C1 ZINC001015907073 657192681 /nfs/dbraw/zinc/19/26/81/657192681.db2.gz FLMSZDUSSZBSOF-MRVPVSSYSA-N 1 2 279.300 -1.597 20 0 CAADLO CCC(=O)N1CC[C@@H](C(=O)N[C@@H]2CC[N@H+](CC(N)=O)C2)C1 ZINC001015956906 657192690 /nfs/dbraw/zinc/19/26/90/657192690.db2.gz KOUXNJAFOHWGFX-GHMZBOCLSA-N 1 2 296.371 -1.079 20 0 CAADLO CCC(=O)N1CC[C@@H](C(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C2)C1 ZINC001015956906 657192692 /nfs/dbraw/zinc/19/26/92/657192692.db2.gz KOUXNJAFOHWGFX-GHMZBOCLSA-N 1 2 296.371 -1.079 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)Cc2nonc2C)C1 ZINC001015924139 657192776 /nfs/dbraw/zinc/19/27/76/657192776.db2.gz GDNDGWYUXXFWHZ-VIFPVBQESA-N 1 2 281.316 -1.143 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)Cc2nonc2C)C1 ZINC001015924139 657192779 /nfs/dbraw/zinc/19/27/79/657192779.db2.gz GDNDGWYUXXFWHZ-VIFPVBQESA-N 1 2 281.316 -1.143 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)c2cc(C(N)=O)c[nH]2)C1 ZINC001015903932 657192816 /nfs/dbraw/zinc/19/28/16/657192816.db2.gz AGWBNOTXOOCGMB-IONNQARKSA-N 1 2 293.327 -1.209 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)c2cc(C(N)=O)c[nH]2)C1 ZINC001015903932 657192818 /nfs/dbraw/zinc/19/28/18/657192818.db2.gz AGWBNOTXOOCGMB-IONNQARKSA-N 1 2 293.327 -1.209 20 0 CAADLO CN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cnon2)C1 ZINC001015877046 657192833 /nfs/dbraw/zinc/19/28/33/657192833.db2.gz SKBYFPMHYMSUPN-MRVPVSSYSA-N 1 2 267.289 -1.038 20 0 CAADLO CN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)c2cnon2)C1 ZINC001015877046 657192835 /nfs/dbraw/zinc/19/28/35/657192835.db2.gz SKBYFPMHYMSUPN-MRVPVSSYSA-N 1 2 267.289 -1.038 20 0 CAADLO Cc1nonc1CC(=O)N[C@H]1CC[N@@H+]([C@H](C)C(N)=O)C1 ZINC001015926097 657193343 /nfs/dbraw/zinc/19/33/43/657193343.db2.gz LYFNEZHSMMNKKC-BDAKNGLRSA-N 1 2 281.316 -1.015 20 0 CAADLO Cc1nonc1CC(=O)N[C@H]1CC[N@H+]([C@H](C)C(N)=O)C1 ZINC001015926097 657193348 /nfs/dbraw/zinc/19/33/48/657193348.db2.gz LYFNEZHSMMNKKC-BDAKNGLRSA-N 1 2 281.316 -1.015 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)c2cnon2)C1 ZINC001015876673 657193628 /nfs/dbraw/zinc/19/36/28/657193628.db2.gz NDUMOFHLRXJKQR-NKWVEPMBSA-N 1 2 253.262 -1.253 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)c2cnon2)C1 ZINC001015876673 657193630 /nfs/dbraw/zinc/19/36/30/657193630.db2.gz NDUMOFHLRXJKQR-NKWVEPMBSA-N 1 2 253.262 -1.253 20 0 CAADLO Cn1nnc(CN2CC[C@H](NC(=O)Cc3[nH]cc[nH+]3)C2)n1 ZINC001015901995 657193762 /nfs/dbraw/zinc/19/37/62/657193762.db2.gz CNWYTMIFHWKQET-VIFPVBQESA-N 1 2 290.331 -1.134 20 0 CAADLO CCn1cc(C(=O)N[C@H]2CC[N@@H+]([C@@H]3CCNC3=O)C2)nn1 ZINC001015916617 657193831 /nfs/dbraw/zinc/19/38/31/657193831.db2.gz OAXJWMPNMHKDDT-GXSJLCMTSA-N 1 2 292.343 -1.009 20 0 CAADLO CCn1cc(C(=O)N[C@H]2CC[N@H+]([C@@H]3CCNC3=O)C2)nn1 ZINC001015916617 657193839 /nfs/dbraw/zinc/19/38/39/657193839.db2.gz OAXJWMPNMHKDDT-GXSJLCMTSA-N 1 2 292.343 -1.009 20 0 CAADLO CCC(=O)N1CC[C@H](C(=O)N[C@@H]2CC[N@H+](CC(N)=O)C2)C1 ZINC001015956909 657193999 /nfs/dbraw/zinc/19/39/99/657193999.db2.gz KOUXNJAFOHWGFX-WDEREUQCSA-N 1 2 296.371 -1.079 20 0 CAADLO CCC(=O)N1CC[C@H](C(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C2)C1 ZINC001015956909 657194004 /nfs/dbraw/zinc/19/40/04/657194004.db2.gz KOUXNJAFOHWGFX-WDEREUQCSA-N 1 2 296.371 -1.079 20 0 CAADLO CC[C@@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)Cc2nnc[nH]2)C1 ZINC001015970025 657194571 /nfs/dbraw/zinc/19/45/71/657194571.db2.gz GTZHDXALQNVHEX-BDAKNGLRSA-N 1 2 280.332 -1.198 20 0 CAADLO CC[C@@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)Cc2nnc[nH]2)C1 ZINC001015970025 657194576 /nfs/dbraw/zinc/19/45/76/657194576.db2.gz GTZHDXALQNVHEX-BDAKNGLRSA-N 1 2 280.332 -1.198 20 0 CAADLO Cn1cccc(C(=O)N[C@H]2CC[N@H+](CC(N)=O)C2)c1=O ZINC001016013121 657194716 /nfs/dbraw/zinc/19/47/16/657194716.db2.gz KKWXGNJONMZBIH-VIFPVBQESA-N 1 2 278.312 -1.325 20 0 CAADLO Cn1cccc(C(=O)N[C@H]2CC[N@@H+](CC(N)=O)C2)c1=O ZINC001016013121 657194726 /nfs/dbraw/zinc/19/47/26/657194726.db2.gz KKWXGNJONMZBIH-VIFPVBQESA-N 1 2 278.312 -1.325 20 0 CAADLO CC[C@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)Cc2nnc[nH]2)C1 ZINC001015970028 657195084 /nfs/dbraw/zinc/19/50/84/657195084.db2.gz GTZHDXALQNVHEX-RKDXNWHRSA-N 1 2 280.332 -1.198 20 0 CAADLO CC[C@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)Cc2nnc[nH]2)C1 ZINC001015970028 657195089 /nfs/dbraw/zinc/19/50/89/657195089.db2.gz GTZHDXALQNVHEX-RKDXNWHRSA-N 1 2 280.332 -1.198 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)Cc2nc[nH]n2)C1 ZINC001015967831 657195296 /nfs/dbraw/zinc/19/52/96/657195296.db2.gz NQWQEJVACASREY-JGVFFNPUSA-N 1 2 266.305 -1.589 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)Cc2nc[nH]n2)C1 ZINC001015967831 657195300 /nfs/dbraw/zinc/19/53/00/657195300.db2.gz NQWQEJVACASREY-JGVFFNPUSA-N 1 2 266.305 -1.589 20 0 CAADLO CN1CCCC[C@@H](C(=O)N[C@H]2CC[N@H+](CC(N)=O)C2)C1=O ZINC001015983562 657195323 /nfs/dbraw/zinc/19/53/23/657195323.db2.gz FBFCZAPXJFJEGO-QWRGUYRKSA-N 1 2 296.371 -1.079 20 0 CAADLO CN1CCCC[C@@H](C(=O)N[C@H]2CC[N@@H+](CC(N)=O)C2)C1=O ZINC001015983562 657195329 /nfs/dbraw/zinc/19/53/29/657195329.db2.gz FBFCZAPXJFJEGO-QWRGUYRKSA-N 1 2 296.371 -1.079 20 0 CAADLO CC[C@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)Cc2nnc[nH]2)C1 ZINC001015970026 657195350 /nfs/dbraw/zinc/19/53/50/657195350.db2.gz GTZHDXALQNVHEX-DTWKUNHWSA-N 1 2 280.332 -1.198 20 0 CAADLO CC[C@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)Cc2nnc[nH]2)C1 ZINC001015970026 657195356 /nfs/dbraw/zinc/19/53/56/657195356.db2.gz GTZHDXALQNVHEX-DTWKUNHWSA-N 1 2 280.332 -1.198 20 0 CAADLO O=C(Cc1nnc[nH]1)N[C@H]1CC[N@@H+]([C@@H]2CCCNC2=O)C1 ZINC001015967812 657196422 /nfs/dbraw/zinc/19/64/22/657196422.db2.gz NHXGZKXYAOBMFS-VHSXEESVSA-N 1 2 292.343 -1.184 20 0 CAADLO O=C(Cc1nnc[nH]1)N[C@H]1CC[N@H+]([C@@H]2CCCNC2=O)C1 ZINC001015967812 657196430 /nfs/dbraw/zinc/19/64/30/657196430.db2.gz NHXGZKXYAOBMFS-VHSXEESVSA-N 1 2 292.343 -1.184 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)Cc2nc[nH]n2)C1 ZINC001015967833 657196540 /nfs/dbraw/zinc/19/65/40/657196540.db2.gz NQWQEJVACASREY-SFYZADRCSA-N 1 2 266.305 -1.589 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)Cc2nc[nH]n2)C1 ZINC001015967833 657196543 /nfs/dbraw/zinc/19/65/43/657196543.db2.gz NQWQEJVACASREY-SFYZADRCSA-N 1 2 266.305 -1.589 20 0 CAADLO O=C(Cc1nc[nH]n1)N[C@H]1CC[N@@H+](CC(=O)NC2CC2)C1 ZINC001015968518 657196740 /nfs/dbraw/zinc/19/67/40/657196740.db2.gz ZRIAWGFVELGKDM-JTQLQIEISA-N 1 2 292.343 -1.184 20 0 CAADLO O=C(Cc1nc[nH]n1)N[C@H]1CC[N@H+](CC(=O)NC2CC2)C1 ZINC001015968518 657196749 /nfs/dbraw/zinc/19/67/49/657196749.db2.gz ZRIAWGFVELGKDM-JTQLQIEISA-N 1 2 292.343 -1.184 20 0 CAADLO O=C(Cc1nc[nH]n1)N[C@H]1CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001015968486 657196780 /nfs/dbraw/zinc/19/67/80/657196780.db2.gz YZOYHGPDYQUASJ-IUCAKERBSA-N 1 2 278.316 -1.574 20 0 CAADLO O=C(Cc1nc[nH]n1)N[C@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001015968486 657196784 /nfs/dbraw/zinc/19/67/84/657196784.db2.gz YZOYHGPDYQUASJ-IUCAKERBSA-N 1 2 278.316 -1.574 20 0 CAADLO CN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)Cc2nc[nH]n2)C1 ZINC001015967149 657196897 /nfs/dbraw/zinc/19/68/97/657196897.db2.gz FVQGMLWHRSDWPD-SECBINFHSA-N 1 2 280.332 -1.374 20 0 CAADLO CN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)Cc2nc[nH]n2)C1 ZINC001015967149 657196903 /nfs/dbraw/zinc/19/69/03/657196903.db2.gz FVQGMLWHRSDWPD-SECBINFHSA-N 1 2 280.332 -1.374 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCCN2C(N)=O)C1 ZINC001015975091 657197074 /nfs/dbraw/zinc/19/70/74/657197074.db2.gz IUEPZSHBKLNFQA-NXEZZACHSA-N 1 2 297.359 -1.405 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CCCCN2C(N)=O)C1 ZINC001015975091 657197080 /nfs/dbraw/zinc/19/70/80/657197080.db2.gz IUEPZSHBKLNFQA-NXEZZACHSA-N 1 2 297.359 -1.405 20 0 CAADLO O=C(Cc1nc[nH]n1)N[C@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001015968485 657197139 /nfs/dbraw/zinc/19/71/39/657197139.db2.gz YZOYHGPDYQUASJ-DTWKUNHWSA-N 1 2 278.316 -1.574 20 0 CAADLO O=C(Cc1nc[nH]n1)N[C@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001015968485 657197141 /nfs/dbraw/zinc/19/71/41/657197141.db2.gz YZOYHGPDYQUASJ-DTWKUNHWSA-N 1 2 278.316 -1.574 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001016032078 657197728 /nfs/dbraw/zinc/19/77/28/657197728.db2.gz VDCNSNHNXGLPPJ-SFYZADRCSA-N 1 2 254.290 -2.059 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001016032078 657197736 /nfs/dbraw/zinc/19/77/36/657197736.db2.gz VDCNSNHNXGLPPJ-SFYZADRCSA-N 1 2 254.290 -2.059 20 0 CAADLO COCCn1cc(C(=O)N[C@@H]2CC[N@H+](CC(N)=O)C2)cn1 ZINC001016128757 657198174 /nfs/dbraw/zinc/19/81/74/657198174.db2.gz PMWMOEIYMFFWAJ-LLVKDONJSA-N 1 2 295.343 -1.181 20 0 CAADLO COCCn1cc(C(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C2)cn1 ZINC001016128757 657198177 /nfs/dbraw/zinc/19/81/77/657198177.db2.gz PMWMOEIYMFFWAJ-LLVKDONJSA-N 1 2 295.343 -1.181 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCN(C(C)=O)C2)C1 ZINC001016119769 657198197 /nfs/dbraw/zinc/19/81/97/657198197.db2.gz MGPOLPBSPWIWOV-NEPJUHHUSA-N 1 2 296.371 -1.209 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCN(C(C)=O)C2)C1 ZINC001016119769 657198200 /nfs/dbraw/zinc/19/82/00/657198200.db2.gz MGPOLPBSPWIWOV-NEPJUHHUSA-N 1 2 296.371 -1.209 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cnn3cc[nH]c23)C1 ZINC001016103941 657198571 /nfs/dbraw/zinc/19/85/71/657198571.db2.gz MTWUJDJYUUADIT-QMMMGPOBSA-N 1 2 276.300 -1.048 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)c2cnn3cc[nH]c23)C1 ZINC001016103941 657198580 /nfs/dbraw/zinc/19/85/80/657198580.db2.gz MTWUJDJYUUADIT-QMMMGPOBSA-N 1 2 276.300 -1.048 20 0 CAADLO Cc1nn(CC(=O)N[C@@H]2CC[N@H+](CC(N)=O)C2)c(=O)n1C ZINC001016139818 657198856 /nfs/dbraw/zinc/19/88/56/657198856.db2.gz DWRSRFNIOOAXOP-SECBINFHSA-N 1 2 296.331 -2.434 20 0 CAADLO Cc1nn(CC(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C2)c(=O)n1C ZINC001016139818 657198860 /nfs/dbraw/zinc/19/88/60/657198860.db2.gz DWRSRFNIOOAXOP-SECBINFHSA-N 1 2 296.331 -2.434 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCN(C(C)=O)C2)C1 ZINC001016119771 657199140 /nfs/dbraw/zinc/19/91/40/657199140.db2.gz MGPOLPBSPWIWOV-NWDGAFQWSA-N 1 2 296.371 -1.209 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CCN(C(C)=O)C2)C1 ZINC001016119771 657199144 /nfs/dbraw/zinc/19/91/44/657199144.db2.gz MGPOLPBSPWIWOV-NWDGAFQWSA-N 1 2 296.371 -1.209 20 0 CAADLO CN1C(=O)CCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001016143055 657199168 /nfs/dbraw/zinc/19/91/68/657199168.db2.gz ZSZHZODVXKHOFM-VHSXEESVSA-N 1 2 282.344 -1.327 20 0 CAADLO CN1C(=O)CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001016143055 657199172 /nfs/dbraw/zinc/19/91/72/657199172.db2.gz ZSZHZODVXKHOFM-VHSXEESVSA-N 1 2 282.344 -1.327 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCN2C(C)=O)C1 ZINC001016046418 657199184 /nfs/dbraw/zinc/19/91/84/657199184.db2.gz NIDKXCRAAFAGMF-RYUDHWBXSA-N 1 2 296.371 -1.066 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCN2C(C)=O)C1 ZINC001016046418 657199185 /nfs/dbraw/zinc/19/91/85/657199185.db2.gz NIDKXCRAAFAGMF-RYUDHWBXSA-N 1 2 296.371 -1.066 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ccc(=O)n(C)n2)C1 ZINC001016180675 657200697 /nfs/dbraw/zinc/20/06/97/657200697.db2.gz IUQYOECRTWQWPU-SECBINFHSA-N 1 2 293.327 -1.670 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2ccc(=O)n(C)n2)C1 ZINC001016180675 657200704 /nfs/dbraw/zinc/20/07/04/657200704.db2.gz IUQYOECRTWQWPU-SECBINFHSA-N 1 2 293.327 -1.670 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cn2cncn2)C1 ZINC001016194168 657201039 /nfs/dbraw/zinc/20/10/39/657201039.db2.gz FXFKUMOILGQQOB-MRVPVSSYSA-N 1 2 252.278 -2.046 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)Cn2cncn2)C1 ZINC001016194168 657201055 /nfs/dbraw/zinc/20/10/55/657201055.db2.gz FXFKUMOILGQQOB-MRVPVSSYSA-N 1 2 252.278 -2.046 20 0 CAADLO Cn1nncc1C[N@@H+]1CC[C@@H](NC(=O)Cn2cncn2)C1 ZINC001016186442 657201107 /nfs/dbraw/zinc/20/11/07/657201107.db2.gz GHMKKHCZSAPUFF-SNVBAGLBSA-N 1 2 290.331 -1.203 20 0 CAADLO Cn1nncc1C[N@H+]1CC[C@@H](NC(=O)Cn2cncn2)C1 ZINC001016186442 657201114 /nfs/dbraw/zinc/20/11/14/657201114.db2.gz GHMKKHCZSAPUFF-SNVBAGLBSA-N 1 2 290.331 -1.203 20 0 CAADLO O=C(Cn1cncn1)N[C@H]1CC[N@@H+](CC(=O)NC2CC2)C1 ZINC001016185050 657201867 /nfs/dbraw/zinc/20/18/67/657201867.db2.gz ADFQHZKARKNSHK-NSHDSACASA-N 1 2 292.343 -1.253 20 0 CAADLO O=C(Cn1cncn1)N[C@H]1CC[N@H+](CC(=O)NC2CC2)C1 ZINC001016185050 657201870 /nfs/dbraw/zinc/20/18/70/657201870.db2.gz ADFQHZKARKNSHK-NSHDSACASA-N 1 2 292.343 -1.253 20 0 CAADLO Cn1nc(C(=O)N[C@@H]2CC[N@H+](CC(N)=O)C2)ccc1=O ZINC001016180438 657201881 /nfs/dbraw/zinc/20/18/81/657201881.db2.gz HIKKQBZRAXKOQC-MRVPVSSYSA-N 1 2 279.300 -1.930 20 0 CAADLO Cn1nc(C(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C2)ccc1=O ZINC001016180438 657201885 /nfs/dbraw/zinc/20/18/85/657201885.db2.gz HIKKQBZRAXKOQC-MRVPVSSYSA-N 1 2 279.300 -1.930 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cn2ccccc2=O)C1 ZINC001016218238 657202499 /nfs/dbraw/zinc/20/24/99/657202499.db2.gz XEIDVKBNJHUVRI-LLVKDONJSA-N 1 2 292.339 -1.215 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)Cn2ccccc2=O)C1 ZINC001016218238 657202506 /nfs/dbraw/zinc/20/25/06/657202506.db2.gz XEIDVKBNJHUVRI-LLVKDONJSA-N 1 2 292.339 -1.215 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)CN2C(=O)CCC2=O)C1 ZINC001016210094 657204433 /nfs/dbraw/zinc/20/44/33/657204433.db2.gz WMJGDLLGCZHZQP-MRVPVSSYSA-N 1 2 282.300 -2.189 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)CN2C(=O)CCC2=O)C1 ZINC001016210094 657204439 /nfs/dbraw/zinc/20/44/39/657204439.db2.gz WMJGDLLGCZHZQP-MRVPVSSYSA-N 1 2 282.300 -2.189 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)Cn2ccccc2=O)C1 ZINC001016218240 657204559 /nfs/dbraw/zinc/20/45/59/657204559.db2.gz XEIDVKBNJHUVRI-NSHDSACASA-N 1 2 292.339 -1.215 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)Cn2ccccc2=O)C1 ZINC001016218240 657204564 /nfs/dbraw/zinc/20/45/64/657204564.db2.gz XEIDVKBNJHUVRI-NSHDSACASA-N 1 2 292.339 -1.215 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)CN2C(=O)CNC2=O)C1 ZINC001016202665 657204621 /nfs/dbraw/zinc/20/46/21/657204621.db2.gz OWVKIKYAGYVQCP-ZETCQYMHSA-N 1 2 283.288 -2.786 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)CN2C(=O)CNC2=O)C1 ZINC001016202665 657204625 /nfs/dbraw/zinc/20/46/25/657204625.db2.gz OWVKIKYAGYVQCP-ZETCQYMHSA-N 1 2 283.288 -2.786 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001016285439 657205714 /nfs/dbraw/zinc/20/57/14/657205714.db2.gz YLYNBGWKAQEPNA-YUMQZZPRSA-N 1 2 290.345 -2.646 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001016285439 657205720 /nfs/dbraw/zinc/20/57/20/657205720.db2.gz YLYNBGWKAQEPNA-YUMQZZPRSA-N 1 2 290.345 -2.646 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001016285438 657206399 /nfs/dbraw/zinc/20/63/99/657206399.db2.gz YLYNBGWKAQEPNA-SFYZADRCSA-N 1 2 290.345 -2.646 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001016285438 657206405 /nfs/dbraw/zinc/20/64/05/657206405.db2.gz YLYNBGWKAQEPNA-SFYZADRCSA-N 1 2 290.345 -2.646 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2c[nH]c(C(N)=O)c2)C1 ZINC001016267376 657206800 /nfs/dbraw/zinc/20/68/00/657206800.db2.gz TZUXYQBQGKGXMX-SECBINFHSA-N 1 2 293.327 -1.336 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2c[nH]c(C(N)=O)c2)C1 ZINC001016267376 657206810 /nfs/dbraw/zinc/20/68/10/657206810.db2.gz TZUXYQBQGKGXMX-SECBINFHSA-N 1 2 293.327 -1.336 20 0 CAADLO O=C(N[C@@H]1CC[N@@H+](CCF)C1)[C@@H]1CCS(=O)(=O)N1 ZINC001016283820 657207286 /nfs/dbraw/zinc/20/72/86/657207286.db2.gz OLWUGEYNLBDKHB-BDAKNGLRSA-N 1 2 279.337 -1.162 20 0 CAADLO O=C(N[C@@H]1CC[N@H+](CCF)C1)[C@@H]1CCS(=O)(=O)N1 ZINC001016283820 657207293 /nfs/dbraw/zinc/20/72/93/657207293.db2.gz OLWUGEYNLBDKHB-BDAKNGLRSA-N 1 2 279.337 -1.162 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCc3nncn3C2)C1 ZINC001016332295 657208260 /nfs/dbraw/zinc/20/82/60/657208260.db2.gz QRGOEXLDSIIVOU-ZJUUUORDSA-N 1 2 292.343 -1.484 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCc3nncn3C2)C1 ZINC001016332295 657208275 /nfs/dbraw/zinc/20/82/75/657208275.db2.gz QRGOEXLDSIIVOU-ZJUUUORDSA-N 1 2 292.343 -1.484 20 0 CAADLO NC(=O)CN1CC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001016398690 657208308 /nfs/dbraw/zinc/20/83/08/657208308.db2.gz VYQIDIQYWSLDLN-SECBINFHSA-N 1 2 251.290 -1.441 20 0 CAADLO Cn1nnc(CN2CC[C@H](NC(=O)Cn3cc[nH+]c3)C2)n1 ZINC001016395088 657208966 /nfs/dbraw/zinc/20/89/66/657208966.db2.gz SMOCRVQTBMBTEA-JTQLQIEISA-N 1 2 290.331 -1.203 20 0 CAADLO CN1C[C@@H](C(=O)N[C@H]2CC[N@H+](CC(N)=O)C2)CCC1=O ZINC001016352557 657209666 /nfs/dbraw/zinc/20/96/66/657209666.db2.gz GKABLOQAAYIBKS-UWVGGRQHSA-N 1 2 282.344 -1.469 20 0 CAADLO CN1C[C@@H](C(=O)N[C@H]2CC[N@@H+](CC(N)=O)C2)CCC1=O ZINC001016352557 657209669 /nfs/dbraw/zinc/20/96/69/657209669.db2.gz GKABLOQAAYIBKS-UWVGGRQHSA-N 1 2 282.344 -1.469 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCC(=O)N(C)C2)C1 ZINC001016348939 657209712 /nfs/dbraw/zinc/20/97/12/657209712.db2.gz QKRRFLUCZCQGRX-WDEREUQCSA-N 1 2 296.371 -1.209 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CCC(=O)N(C)C2)C1 ZINC001016348939 657209715 /nfs/dbraw/zinc/20/97/15/657209715.db2.gz QKRRFLUCZCQGRX-WDEREUQCSA-N 1 2 296.371 -1.209 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)C[C@@H]2CC(=O)NC2=O)C1 ZINC001016432282 657211324 /nfs/dbraw/zinc/21/13/24/657211324.db2.gz VNGCCUULKCGPCK-SFYZADRCSA-N 1 2 282.300 -2.285 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)C[C@@H]2CC(=O)NC2=O)C1 ZINC001016432282 657211329 /nfs/dbraw/zinc/21/13/29/657211329.db2.gz VNGCCUULKCGPCK-SFYZADRCSA-N 1 2 282.300 -2.285 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)C[C@H]2CC(=O)NC2=O)C1 ZINC001016432281 657211743 /nfs/dbraw/zinc/21/17/43/657211743.db2.gz VNGCCUULKCGPCK-JGVFFNPUSA-N 1 2 282.300 -2.285 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)C[C@H]2CC(=O)NC2=O)C1 ZINC001016432281 657211749 /nfs/dbraw/zinc/21/17/49/657211749.db2.gz VNGCCUULKCGPCK-JGVFFNPUSA-N 1 2 282.300 -2.285 20 0 CAADLO Cn1ncc(C[NH+]2CCC3(C[C@@H]3NC(=O)C(N)=O)CC2)n1 ZINC001016798844 657212234 /nfs/dbraw/zinc/21/22/34/657212234.db2.gz FNKSGEKOMDUBKC-JTQLQIEISA-N 1 2 292.343 -1.229 20 0 CAADLO Cn1ncnc1C[NH+]1CCC2(C[C@H]2NC(=O)C(N)=O)CC1 ZINC001016798808 657212595 /nfs/dbraw/zinc/21/25/95/657212595.db2.gz DSSFLNBUNGOJME-SECBINFHSA-N 1 2 292.343 -1.229 20 0 CAADLO Cn1ncc(C[NH+]2CCC3(C[C@H]3NC(=O)C(N)=O)CC2)n1 ZINC001016798845 657213124 /nfs/dbraw/zinc/21/31/24/657213124.db2.gz FNKSGEKOMDUBKC-SNVBAGLBSA-N 1 2 292.343 -1.229 20 0 CAADLO Cn1cnnc1C[NH+]1CCC2(C[C@H]2NC(=O)C(N)=O)CC1 ZINC001016801544 657213321 /nfs/dbraw/zinc/21/33/21/657213321.db2.gz YFTKJPQHMVRGHT-SECBINFHSA-N 1 2 292.343 -1.229 20 0 CAADLO Cn1nnnc1C[N@H+](C)C[C@@H]1CCCN(C(=O)C(N)=O)C1 ZINC001017195431 657217486 /nfs/dbraw/zinc/21/74/86/657217486.db2.gz UHOQJPKJEGJAEB-VIFPVBQESA-N 1 2 295.347 -1.634 20 0 CAADLO Cn1nnnc1C[N@@H+](C)C[C@@H]1CCCN(C(=O)C(N)=O)C1 ZINC001017195431 657217493 /nfs/dbraw/zinc/21/74/93/657217493.db2.gz UHOQJPKJEGJAEB-VIFPVBQESA-N 1 2 295.347 -1.634 20 0 CAADLO Cn1nnnc1C[N@H+](C)C[C@H]1CCCN(C(=O)C(N)=O)C1 ZINC001017195430 657218710 /nfs/dbraw/zinc/21/87/10/657218710.db2.gz UHOQJPKJEGJAEB-SECBINFHSA-N 1 2 295.347 -1.634 20 0 CAADLO Cn1nnnc1C[N@@H+](C)C[C@H]1CCCN(C(=O)C(N)=O)C1 ZINC001017195430 657218717 /nfs/dbraw/zinc/21/87/17/657218717.db2.gz UHOQJPKJEGJAEB-SECBINFHSA-N 1 2 295.347 -1.634 20 0 CAADLO CC[C@@H](C(N)=O)[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC(N)=O ZINC001017430767 657220648 /nfs/dbraw/zinc/22/06/48/657220648.db2.gz SJQCSDKYCJWOQW-AEJSXWLSSA-N 1 2 282.344 -1.199 20 0 CAADLO CC[C@@H](C(N)=O)[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC(N)=O ZINC001017430767 657220652 /nfs/dbraw/zinc/22/06/52/657220652.db2.gz SJQCSDKYCJWOQW-AEJSXWLSSA-N 1 2 282.344 -1.199 20 0 CAADLO C[C@@H]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)CN1C(=O)C(N)=O ZINC001018229969 657225003 /nfs/dbraw/zinc/22/50/03/657225003.db2.gz ICOSFUNZXRXIDX-NXEZZACHSA-N 1 2 293.327 -1.136 20 0 CAADLO C[C@@H]1CC[C@H](NC(=O)C(N)=O)CN1C(=O)Cc1[nH]cc[nH+]1 ZINC001018377338 657227865 /nfs/dbraw/zinc/22/78/65/657227865.db2.gz YBRDJLZRTPTKCY-BDAKNGLRSA-N 1 2 293.327 -1.067 20 0 CAADLO C[C@@H]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)CN1C(=O)C(N)=O ZINC001018443510 657229533 /nfs/dbraw/zinc/22/95/33/657229533.db2.gz WRFOUJSFPMBAEI-RKDXNWHRSA-N 1 2 293.327 -1.067 20 0 CAADLO C[C@H]1CC[C@@H](NC(=O)C(N)=O)CN1C(=O)Cc1c[nH+]c[nH]1 ZINC001018378395 657230125 /nfs/dbraw/zinc/23/01/25/657230125.db2.gz JJJIPXASJWIOPX-DTWKUNHWSA-N 1 2 293.327 -1.067 20 0 CAADLO Cc1noc(C[NH2+][C@H]2CCN(C(=O)Cn3cnnn3)C2)n1 ZINC001018479544 657230166 /nfs/dbraw/zinc/23/01/66/657230166.db2.gz IBBCROUVBMIBPD-VIFPVBQESA-N 1 2 292.303 -1.245 20 0 CAADLO C[C@@H]1CC[C@@H](NC(=O)C(N)=O)CN1C(=O)Cc1[nH]cc[nH+]1 ZINC001018377341 657230404 /nfs/dbraw/zinc/23/04/04/657230404.db2.gz YBRDJLZRTPTKCY-RKDXNWHRSA-N 1 2 293.327 -1.067 20 0 CAADLO C[C@H]1CC[C@H](NC(=O)C(N)=O)CN1C(=O)Cn1cc[nH+]c1 ZINC001018380209 657230551 /nfs/dbraw/zinc/23/05/51/657230551.db2.gz QIYSWDDMIMSCAP-UWVGGRQHSA-N 1 2 293.327 -1.136 20 0 CAADLO Cn1[nH]c(C[NH2+][C@H]2CCN(C(=O)[C@@H]3CCCO3)C2)nc1=O ZINC001018467159 657230904 /nfs/dbraw/zinc/23/09/04/657230904.db2.gz DNWIAUMWCWJMDU-UWVGGRQHSA-N 1 2 295.343 -1.022 20 0 CAADLO CO[C@H](C)C(=O)N1CC[C@H]([NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001018579551 657232903 /nfs/dbraw/zinc/23/29/03/657232903.db2.gz ONYKUPDGESPNIZ-BDAKNGLRSA-N 1 2 283.332 -1.166 20 0 CAADLO Cn1[nH]c(C[NH2+][C@H]2CCN(C(=O)c3cn[nH]c3)C2)nc1=O ZINC001018559372 657233634 /nfs/dbraw/zinc/23/36/34/657233634.db2.gz JLKCHHDJOMPKAL-VIFPVBQESA-N 1 2 291.315 -1.164 20 0 CAADLO Cn1[nH]c(C[NH2+][C@H]2CCN(C(=O)[C@@H]3CCOC3)C2)nc1=O ZINC001018593535 657233680 /nfs/dbraw/zinc/23/36/80/657233680.db2.gz NHECFPWPRIQMHP-ZJUUUORDSA-N 1 2 295.343 -1.165 20 0 CAADLO Cn1[nH]c(C[NH2+][C@H]2CCN(C(=O)CC(N)=O)C2)nc1=O ZINC001018648789 657238233 /nfs/dbraw/zinc/23/82/33/657238233.db2.gz MHWNXVINDTXYPC-ZETCQYMHSA-N 1 2 282.304 -2.326 20 0 CAADLO COCc1noc(C[NH2+][C@H]2CCN(C(=O)CC(N)=O)C2)n1 ZINC001018648997 657239589 /nfs/dbraw/zinc/23/95/89/657239589.db2.gz PNNBVWKAHSKDAX-QMMMGPOBSA-N 1 2 297.315 -1.218 20 0 CAADLO Cc1noc(C[NH2+][C@H]2CCN(C(=O)CC(N)=O)C2)n1 ZINC001018648998 657240403 /nfs/dbraw/zinc/24/04/03/657240403.db2.gz PPWOYLCHGNCBNS-QMMMGPOBSA-N 1 2 267.289 -1.056 20 0 CAADLO O=C(Cn1ncnn1)N1CC[C@H]([NH2+]Cc2cnsn2)C1 ZINC001018850280 657248131 /nfs/dbraw/zinc/24/81/31/657248131.db2.gz QTIKGBCJCQUGRY-QMMMGPOBSA-N 1 2 294.344 -1.085 20 0 CAADLO Cc1noc(C[NH2+][C@H]2CCN(C(=O)c3nnn(C)n3)C2)n1 ZINC001019257691 657256399 /nfs/dbraw/zinc/25/63/99/657256399.db2.gz AWMVTPCGRJVISN-QMMMGPOBSA-N 1 2 292.303 -1.094 20 0 CAADLO Cc1nonc1C[NH2+][C@H]1CCN(C(=O)C(N)=O)C1 ZINC001019313370 657259851 /nfs/dbraw/zinc/25/98/51/657259851.db2.gz QZTQGECWGGPPTR-ZETCQYMHSA-N 1 2 253.262 -1.446 20 0 CAADLO Cn1nnnc1C[NH2+][C@H]1CCN(C(=O)C(N)=O)C1 ZINC001019313484 657261848 /nfs/dbraw/zinc/26/18/48/657261848.db2.gz WZPZCITWVBSJIY-LURJTMIESA-N 1 2 253.266 -2.614 20 0 CAADLO NC(=O)C(=O)N1CC[C@H]([NH2+]Cc2ncnn2CCF)C1 ZINC001019313377 657262074 /nfs/dbraw/zinc/26/20/74/657262074.db2.gz RGXOCFMWHFVOBH-QMMMGPOBSA-N 1 2 284.295 -1.577 20 0 CAADLO Cn1ncc(C[NH2+][C@H]2CCN(C(=O)C(N)=O)C2)n1 ZINC001019313179 657262144 /nfs/dbraw/zinc/26/21/44/657262144.db2.gz HDNUQADOPDUUHC-ZETCQYMHSA-N 1 2 252.278 -2.009 20 0 CAADLO C[C@H]([NH2+][C@H]1CCN(C(=O)C(N)=O)C1)c1nnnn1C ZINC001019313360 657262254 /nfs/dbraw/zinc/26/22/54/657262254.db2.gz QQNWXKPOQQDFGS-BQBZGAKWSA-N 1 2 267.293 -2.053 20 0 CAADLO Cc1nnc(C[NH2+][C@H]2CCN(C(=O)[C@H]3CNC(=O)N3)C2)o1 ZINC001019309288 657262669 /nfs/dbraw/zinc/26/26/69/657262669.db2.gz VUOSXKVNZPXEEB-DTWKUNHWSA-N 1 2 294.315 -1.250 20 0 CAADLO NC(=O)C(=O)N1CCC2(CN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC001019335050 657263103 /nfs/dbraw/zinc/26/31/03/657263103.db2.gz ROIMTJPFWHYJGG-UHFFFAOYSA-N 1 2 291.311 -1.502 20 0 CAADLO NC(=O)C(=O)N1CC[C@H]([NH2+]Cc2noc3c2COCC3)C1 ZINC001019315433 657263742 /nfs/dbraw/zinc/26/37/42/657263742.db2.gz BZJSVEBKQQSLOE-QMMMGPOBSA-N 1 2 294.311 -1.077 20 0 CAADLO CCCCn1nnnc1C[NH2+][C@H]1CCN(C(=O)C(N)=O)C1 ZINC001019315663 657264097 /nfs/dbraw/zinc/26/40/97/657264097.db2.gz NBDLPEUSUHJJCE-VIFPVBQESA-N 1 2 295.347 -1.351 20 0 CAADLO Cn1nc(C2CC2)nc1C[NH2+][C@H]1CCN(C(=O)C(N)=O)C1 ZINC001019314211 657264217 /nfs/dbraw/zinc/26/42/17/657264217.db2.gz CHXDNLUASXJNKT-VIFPVBQESA-N 1 2 292.343 -1.132 20 0 CAADLO NC(=O)C(=O)N1CC2(C1)CCN(C(=O)Cc1[nH]cc[nH+]1)C2 ZINC001019355274 657265970 /nfs/dbraw/zinc/26/59/70/657265970.db2.gz PFQCOOKVHKGLIC-UHFFFAOYSA-N 1 2 291.311 -1.502 20 0 CAADLO CN1CC[C@@H]([NH2+][C@H]2CCN(C(=O)Cc3ncn[nH]3)C2)C1=O ZINC001019628988 657275164 /nfs/dbraw/zinc/27/51/64/657275164.db2.gz ATYCSENKBNMWDU-VHSXEESVSA-N 1 2 292.343 -1.232 20 0 CAADLO O=C(Cc1ncn[nH]1)N1CC[C@H]([NH2+][C@@H]2CCCNC2=O)C1 ZINC001019629740 657275812 /nfs/dbraw/zinc/27/58/12/657275812.db2.gz QFDTZFZJKOSGKG-VHSXEESVSA-N 1 2 292.343 -1.184 20 0 CAADLO Cn1nnc(CN[C@H]2CCN(C(=O)Cn3cc[nH+]c3)C2)n1 ZINC001019868445 657281366 /nfs/dbraw/zinc/28/13/66/657281366.db2.gz FHWYIFRQUBOTTL-JTQLQIEISA-N 1 2 290.331 -1.203 20 0 CAADLO Cn1nnc(C[NH2+][C@H]2C[C@H](NC(=O)[C@H]3CCOC3)C2)n1 ZINC001020015637 657284423 /nfs/dbraw/zinc/28/44/23/657284423.db2.gz FIUPTLHFIHSFBC-GUBZILKMSA-N 1 2 280.332 -1.017 20 0 CAADLO Cn1nnc(C[NH2+][C@H]2C[C@H](NC(=O)[C@H]3COC(=O)N3)C2)n1 ZINC001020121181 657287860 /nfs/dbraw/zinc/28/78/60/657287860.db2.gz CSLFZZSQRJLMMZ-BWZBUEFSSA-N 1 2 295.303 -1.945 20 0 CAADLO Cn1nnc(C[NH2+][C@H]2C[C@H](NC(=O)Cn3ncnn3)C2)n1 ZINC001020156709 657290184 /nfs/dbraw/zinc/29/01/84/657290184.db2.gz XLDAVHSTCRCXBM-ZKCHVHJHSA-N 1 2 292.307 -2.366 20 0 CAADLO Cn1nnc(C[NH2+][C@H]2C[C@H](NC(=O)[C@]34C[C@H]3COC4)C2)n1 ZINC001020178219 657290879 /nfs/dbraw/zinc/29/08/79/657290879.db2.gz SFZDKAFMDBZXTB-YVNDNENWSA-N 1 2 292.343 -1.017 20 0 CAADLO Cn1[nH]c(C[NH2+][C@H]2C[C@H](NC(=O)c3cn[nH]n3)C2)nc1=O ZINC001020340899 657294046 /nfs/dbraw/zinc/29/40/46/657294046.db2.gz DZNWGFSKPHAZQN-LJGSYFOKSA-N 1 2 292.303 -1.723 20 0 CAADLO Cn1[nH]c(C[NH2+][C@H]2C[C@H](NC(=O)c3cnn[nH]3)C2)nc1=O ZINC001020340899 657294048 /nfs/dbraw/zinc/29/40/48/657294048.db2.gz DZNWGFSKPHAZQN-LJGSYFOKSA-N 1 2 292.303 -1.723 20 0 CAADLO C[C@H]([NH2+][C@H]1C[C@H](NC(=O)c2cn[nH]n2)C1)c1nnnn1C ZINC001020343005 657294337 /nfs/dbraw/zinc/29/43/37/657294337.db2.gz FFYZBGPDYMFPDZ-FXQIFTODSA-N 1 2 291.319 -1.060 20 0 CAADLO C[C@H]([NH2+][C@H]1C[C@H](NC(=O)c2cnn[nH]2)C1)c1nnnn1C ZINC001020343005 657294341 /nfs/dbraw/zinc/29/43/41/657294341.db2.gz FFYZBGPDYMFPDZ-FXQIFTODSA-N 1 2 291.319 -1.060 20 0 CAADLO CC(C)[C@H](CNC(=O)Cc1c[nH]c[nH+]1)NC(=O)C(N)=O ZINC001298022429 782190782 /nfs/dbraw/zinc/19/07/82/782190782.db2.gz VZBAVLQPUKIKGJ-VIFPVBQESA-N 1 2 281.316 -1.306 20 0 CAADLO NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H]1CCNC1=O)C2 ZINC001095526461 782191291 /nfs/dbraw/zinc/19/12/91/782191291.db2.gz JWIXNJPHKKMKLR-VLEAKVRGSA-N 1 2 294.355 -1.281 20 0 CAADLO NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H]1CCNC1=O)C2 ZINC001095526461 782191293 /nfs/dbraw/zinc/19/12/93/782191293.db2.gz JWIXNJPHKKMKLR-VLEAKVRGSA-N 1 2 294.355 -1.281 20 0 CAADLO CNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)CC(N)=O)C2 ZINC001110893480 782192039 /nfs/dbraw/zinc/19/20/39/782192039.db2.gz KDWSYODGCLCVFY-ZDCRXTMVSA-N 1 2 296.371 -1.035 20 0 CAADLO CNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)CC(N)=O)C2 ZINC001110893480 782192048 /nfs/dbraw/zinc/19/20/48/782192048.db2.gz KDWSYODGCLCVFY-ZDCRXTMVSA-N 1 2 296.371 -1.035 20 0 CAADLO CNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)CC(N)=O)C2 ZINC001110893479 782192069 /nfs/dbraw/zinc/19/20/69/782192069.db2.gz KDWSYODGCLCVFY-DBIOUOCHSA-N 1 2 296.371 -1.035 20 0 CAADLO CNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)CC(N)=O)C2 ZINC001110893479 782192063 /nfs/dbraw/zinc/19/20/63/782192063.db2.gz KDWSYODGCLCVFY-DBIOUOCHSA-N 1 2 296.371 -1.035 20 0 CAADLO NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(C(N)=O)CC1)C2 ZINC001110966062 782192806 /nfs/dbraw/zinc/19/28/06/782192806.db2.gz UUMDSULQEFWGIQ-HLTSFMKQSA-N 1 2 280.328 -1.541 20 0 CAADLO NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(C(N)=O)CC1)C2 ZINC001110966062 782192812 /nfs/dbraw/zinc/19/28/12/782192812.db2.gz UUMDSULQEFWGIQ-HLTSFMKQSA-N 1 2 280.328 -1.541 20 0 CAADLO COC[C@@H](OC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(N)=O ZINC001111000512 782193252 /nfs/dbraw/zinc/19/32/52/782193252.db2.gz LOSZSOVUJZQCAO-CHWFTXMASA-N 1 2 285.344 -1.145 20 0 CAADLO COC[C@@H](OC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(N)=O ZINC001111000512 782193258 /nfs/dbraw/zinc/19/32/58/782193258.db2.gz LOSZSOVUJZQCAO-CHWFTXMASA-N 1 2 285.344 -1.145 20 0 CAADLO CCN(C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(N)=O)C2 ZINC001110963316 782193366 /nfs/dbraw/zinc/19/33/66/782193366.db2.gz YAZOIOORSOYHHW-BBBLOLIVSA-N 1 2 282.344 -1.329 20 0 CAADLO CCN(C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(N)=O)C2 ZINC001110963316 782193371 /nfs/dbraw/zinc/19/33/71/782193371.db2.gz YAZOIOORSOYHHW-BBBLOLIVSA-N 1 2 282.344 -1.329 20 0 CAADLO C[N@@H+]1CCN(C(=O)[C@@H]2CCC(=O)NC2)C[C@@H]1CO ZINC000687590220 782196214 /nfs/dbraw/zinc/19/62/14/782196214.db2.gz LQPSNXISNZPKLY-NXEZZACHSA-N 1 2 255.318 -1.353 20 0 CAADLO C[N@H+]1CCN(C(=O)[C@@H]2CCC(=O)NC2)C[C@@H]1CO ZINC000687590220 782196219 /nfs/dbraw/zinc/19/62/19/782196219.db2.gz LQPSNXISNZPKLY-NXEZZACHSA-N 1 2 255.318 -1.353 20 0 CAADLO C[N@@H+]1CCN(C(=O)[C@H]2CCC(=O)NC2)C[C@H]1CO ZINC000687590223 782196781 /nfs/dbraw/zinc/19/67/81/782196781.db2.gz LQPSNXISNZPKLY-UWVGGRQHSA-N 1 2 255.318 -1.353 20 0 CAADLO C[N@H+]1CCN(C(=O)[C@H]2CCC(=O)NC2)C[C@H]1CO ZINC000687590223 782196790 /nfs/dbraw/zinc/19/67/90/782196790.db2.gz LQPSNXISNZPKLY-UWVGGRQHSA-N 1 2 255.318 -1.353 20 0 CAADLO C[N@@H+]1CCN(C(=O)[C@H]2CCC(=O)NC2)C[C@@H]1CO ZINC000687590224 782196902 /nfs/dbraw/zinc/19/69/02/782196902.db2.gz LQPSNXISNZPKLY-VHSXEESVSA-N 1 2 255.318 -1.353 20 0 CAADLO C[N@H+]1CCN(C(=O)[C@H]2CCC(=O)NC2)C[C@@H]1CO ZINC000687590224 782196906 /nfs/dbraw/zinc/19/69/06/782196906.db2.gz LQPSNXISNZPKLY-VHSXEESVSA-N 1 2 255.318 -1.353 20 0 CAADLO CN1C[C@@H](C(=O)N2CC[N@H+](C)[C@@H](CO)C2)CC1=O ZINC000687600408 782198190 /nfs/dbraw/zinc/19/81/90/782198190.db2.gz VKXQEVMZVXLLED-VHSXEESVSA-N 1 2 255.318 -1.400 20 0 CAADLO CN1C[C@@H](C(=O)N2CC[N@@H+](C)[C@@H](CO)C2)CC1=O ZINC000687600408 782198194 /nfs/dbraw/zinc/19/81/94/782198194.db2.gz VKXQEVMZVXLLED-VHSXEESVSA-N 1 2 255.318 -1.400 20 0 CAADLO C[N@@H+]1CCN(C(=O)[C@H]2CCCN(C(N)=O)C2)C[C@H]1CO ZINC000687595623 782198215 /nfs/dbraw/zinc/19/82/15/782198215.db2.gz FIRNORPMLBOLGR-QWRGUYRKSA-N 1 2 284.360 -1.088 20 0 CAADLO C[N@H+]1CCN(C(=O)[C@H]2CCCN(C(N)=O)C2)C[C@H]1CO ZINC000687595623 782198220 /nfs/dbraw/zinc/19/82/20/782198220.db2.gz FIRNORPMLBOLGR-QWRGUYRKSA-N 1 2 284.360 -1.088 20 0 CAADLO CCN1C[C@@H](C(=O)N2CC[N@H+](C)[C@H](CO)C2)CC1=O ZINC000687595698 782198310 /nfs/dbraw/zinc/19/83/10/782198310.db2.gz HGEZLQQWOQUQPK-QWRGUYRKSA-N 1 2 269.345 -1.010 20 0 CAADLO CCN1C[C@@H](C(=O)N2CC[N@@H+](C)[C@H](CO)C2)CC1=O ZINC000687595698 782198315 /nfs/dbraw/zinc/19/83/15/782198315.db2.gz HGEZLQQWOQUQPK-QWRGUYRKSA-N 1 2 269.345 -1.010 20 0 CAADLO CN1C[C@H](C(=O)N2CC[N@H+](C)[C@@H](CO)C2)CC1=O ZINC000687600406 782198508 /nfs/dbraw/zinc/19/85/08/782198508.db2.gz VKXQEVMZVXLLED-NXEZZACHSA-N 1 2 255.318 -1.400 20 0 CAADLO CN1C[C@H](C(=O)N2CC[N@@H+](C)[C@@H](CO)C2)CC1=O ZINC000687600406 782198512 /nfs/dbraw/zinc/19/85/12/782198512.db2.gz VKXQEVMZVXLLED-NXEZZACHSA-N 1 2 255.318 -1.400 20 0 CAADLO C[N@@H+]1CCN(C(=O)[C@H]2CCCC(=O)N2)C[C@@H]1CO ZINC000687591809 782198052 /nfs/dbraw/zinc/19/80/52/782198052.db2.gz NPTCNPPKTDMFCO-NXEZZACHSA-N 1 2 255.318 -1.210 20 0 CAADLO C[N@H+]1CCN(C(=O)[C@H]2CCCC(=O)N2)C[C@@H]1CO ZINC000687591809 782198055 /nfs/dbraw/zinc/19/80/55/782198055.db2.gz NPTCNPPKTDMFCO-NXEZZACHSA-N 1 2 255.318 -1.210 20 0 CAADLO C[C@@H]1C[C@@H](NC(=O)c2cn[nH]n2)CC[N@@H+]1CC(N)=O ZINC000947485208 782199330 /nfs/dbraw/zinc/19/93/30/782199330.db2.gz WGWNLMKIXCTZNV-SFYZADRCSA-N 1 2 266.305 -1.127 20 0 CAADLO C[C@@H]1C[C@@H](NC(=O)c2cnn[nH]2)CC[N@@H+]1CC(N)=O ZINC000947485208 782199339 /nfs/dbraw/zinc/19/93/39/782199339.db2.gz WGWNLMKIXCTZNV-SFYZADRCSA-N 1 2 266.305 -1.127 20 0 CAADLO C[C@@H]1C[C@@H](NC(=O)c2cn[nH]n2)CC[N@H+]1CC(N)=O ZINC000947485208 782199335 /nfs/dbraw/zinc/19/93/35/782199335.db2.gz WGWNLMKIXCTZNV-SFYZADRCSA-N 1 2 266.305 -1.127 20 0 CAADLO C[C@@H]1C[C@@H](NC(=O)c2cnn[nH]2)CC[N@H+]1CC(N)=O ZINC000947485208 782199342 /nfs/dbraw/zinc/19/93/42/782199342.db2.gz WGWNLMKIXCTZNV-SFYZADRCSA-N 1 2 266.305 -1.127 20 0 CAADLO C[C@@H]1C[C@H](NC(=O)c2cn[nH]n2)CC[N@@H+]1CC(N)=O ZINC000947485206 782199407 /nfs/dbraw/zinc/19/94/07/782199407.db2.gz WGWNLMKIXCTZNV-HTQZYQBOSA-N 1 2 266.305 -1.127 20 0 CAADLO C[C@@H]1C[C@H](NC(=O)c2cn[nH]n2)CC[N@H+]1CC(N)=O ZINC000947485206 782199410 /nfs/dbraw/zinc/19/94/10/782199410.db2.gz WGWNLMKIXCTZNV-HTQZYQBOSA-N 1 2 266.305 -1.127 20 0 CAADLO C[C@@H]1C[C@H](NC(=O)c2cnn[nH]2)CC[N@@H+]1CC(N)=O ZINC000947485206 782199415 /nfs/dbraw/zinc/19/94/15/782199415.db2.gz WGWNLMKIXCTZNV-HTQZYQBOSA-N 1 2 266.305 -1.127 20 0 CAADLO C[C@@H]1C[C@H](NC(=O)c2cnn[nH]2)CC[N@H+]1CC(N)=O ZINC000947485206 782199418 /nfs/dbraw/zinc/19/94/18/782199418.db2.gz WGWNLMKIXCTZNV-HTQZYQBOSA-N 1 2 266.305 -1.127 20 0 CAADLO C[C@]1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(N)=O)CNC(=O)C1 ZINC001095806351 782200109 /nfs/dbraw/zinc/20/01/09/782200109.db2.gz BHUGJDYBMZPPSA-MAGOMRGPSA-N 1 2 294.355 -1.281 20 0 CAADLO C[C@]1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(N)=O)CNC(=O)C1 ZINC001095806351 782200116 /nfs/dbraw/zinc/20/01/16/782200116.db2.gz BHUGJDYBMZPPSA-MAGOMRGPSA-N 1 2 294.355 -1.281 20 0 CAADLO Cc1nc(NCCN(CCO)C(=O)CNC(N)=O)cc[nH+]1 ZINC001111413826 782201804 /nfs/dbraw/zinc/20/18/04/782201804.db2.gz JLODXZDAUFCZEV-UHFFFAOYSA-N 1 2 296.331 -1.314 20 0 CAADLO NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCNC1=O)C2 ZINC001095868580 782202409 /nfs/dbraw/zinc/20/24/09/782202409.db2.gz UKZJFDVJPFGVJK-IMSYWVGJSA-N 1 2 280.328 -1.671 20 0 CAADLO NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCNC1=O)C2 ZINC001095868580 782202414 /nfs/dbraw/zinc/20/24/14/782202414.db2.gz UKZJFDVJPFGVJK-IMSYWVGJSA-N 1 2 280.328 -1.671 20 0 CAADLO Cc1nn[nH]c1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(N)=O ZINC001095856771 782203047 /nfs/dbraw/zinc/20/30/47/782203047.db2.gz MCAPQRMWRNBAEX-VGMNWLOBSA-N 1 2 278.316 -1.066 20 0 CAADLO Cc1nn[nH]c1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(N)=O ZINC001095856771 782203051 /nfs/dbraw/zinc/20/30/51/782203051.db2.gz MCAPQRMWRNBAEX-VGMNWLOBSA-N 1 2 278.316 -1.066 20 0 CAADLO CCN(C)C(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cn[nH]n1 ZINC001114507061 782203895 /nfs/dbraw/zinc/20/38/95/782203895.db2.gz HZOPRUOFRITSHX-GDGBQDQQSA-N 1 2 292.343 -1.057 20 0 CAADLO CCN(C)C(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cn[nH]n1 ZINC001114507061 782203900 /nfs/dbraw/zinc/20/39/00/782203900.db2.gz HZOPRUOFRITSHX-GDGBQDQQSA-N 1 2 292.343 -1.057 20 0 CAADLO CCN(C)C(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnn[nH]1 ZINC001114507061 782203915 /nfs/dbraw/zinc/20/39/15/782203915.db2.gz HZOPRUOFRITSHX-GDGBQDQQSA-N 1 2 292.343 -1.057 20 0 CAADLO CCN(C)C(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnn[nH]1 ZINC001114507061 782203926 /nfs/dbraw/zinc/20/39/26/782203926.db2.gz HZOPRUOFRITSHX-GDGBQDQQSA-N 1 2 292.343 -1.057 20 0 CAADLO CC(C)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnn[nH]1 ZINC001114508739 782204276 /nfs/dbraw/zinc/20/42/76/782204276.db2.gz WPJNHPINYSFJIV-GDGBQDQQSA-N 1 2 292.343 -1.011 20 0 CAADLO CC(C)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnn[nH]1 ZINC001114508739 782204284 /nfs/dbraw/zinc/20/42/84/782204284.db2.gz WPJNHPINYSFJIV-GDGBQDQQSA-N 1 2 292.343 -1.011 20 0 CAADLO CC(C)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cn[nH]n1 ZINC001114508739 782204261 /nfs/dbraw/zinc/20/42/61/782204261.db2.gz WPJNHPINYSFJIV-GDGBQDQQSA-N 1 2 292.343 -1.011 20 0 CAADLO CC(C)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cn[nH]n1 ZINC001114508739 782204268 /nfs/dbraw/zinc/20/42/68/782204268.db2.gz WPJNHPINYSFJIV-GDGBQDQQSA-N 1 2 292.343 -1.011 20 0 CAADLO CNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1nnn(C)n1)C2 ZINC001095882219 782205400 /nfs/dbraw/zinc/20/54/00/782205400.db2.gz XGFHDWSXOZTLRP-VGMNWLOBSA-N 1 2 293.331 -1.709 20 0 CAADLO CNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1nnn(C)n1)C2 ZINC001095882219 782205404 /nfs/dbraw/zinc/20/54/04/782205404.db2.gz XGFHDWSXOZTLRP-VGMNWLOBSA-N 1 2 293.331 -1.709 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1nnn(C)n1)C2 ZINC001095881736 782204973 /nfs/dbraw/zinc/20/49/73/782204973.db2.gz IPUKTSGRADKHRY-HXFLIBJXSA-N 1 2 293.331 -1.581 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1nnn(C)n1)C2 ZINC001095881736 782204980 /nfs/dbraw/zinc/20/49/80/782204980.db2.gz IPUKTSGRADKHRY-HXFLIBJXSA-N 1 2 293.331 -1.581 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+]1CC[C@@H]1CNC(=O)c1c[nH]c(=O)cn1 ZINC001038651751 782207458 /nfs/dbraw/zinc/20/74/58/782207458.db2.gz OUWCNUMXPHLJKX-RKDXNWHRSA-N 1 2 293.327 -1.292 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+]1CC[C@@H]1CNC(=O)c1c[nH]c(=O)cn1 ZINC001038651751 782207465 /nfs/dbraw/zinc/20/74/65/782207465.db2.gz OUWCNUMXPHLJKX-RKDXNWHRSA-N 1 2 293.327 -1.292 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+]1CC[C@H]1CNC(=O)c1c[nH]c(=O)cn1 ZINC001038651750 782207614 /nfs/dbraw/zinc/20/76/14/782207614.db2.gz OUWCNUMXPHLJKX-IUCAKERBSA-N 1 2 293.327 -1.292 20 0 CAADLO CNC(=O)[C@H](C)[N@H+]1CC[C@H]1CNC(=O)c1c[nH]c(=O)cn1 ZINC001038651750 782207617 /nfs/dbraw/zinc/20/76/17/782207617.db2.gz OUWCNUMXPHLJKX-IUCAKERBSA-N 1 2 293.327 -1.292 20 0 CAADLO CN1CC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(N)=O)C1=O ZINC001095888414 782210277 /nfs/dbraw/zinc/21/02/77/782210277.db2.gz COTKTZZNDNOIGJ-ZNSHCXBVSA-N 1 2 294.355 -1.329 20 0 CAADLO CN1CC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(N)=O)C1=O ZINC001095888414 782210283 /nfs/dbraw/zinc/21/02/83/782210283.db2.gz COTKTZZNDNOIGJ-ZNSHCXBVSA-N 1 2 294.355 -1.329 20 0 CAADLO C[C@H]([NH2+]CCCN(C)C(=O)Cc1ncn[nH]1)C(N)=O ZINC001276324349 782214964 /nfs/dbraw/zinc/21/49/64/782214964.db2.gz QSTODTTWLZIRJF-QMMMGPOBSA-N 1 2 268.321 -1.341 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1cn[nH]n1 ZINC001114863020 782216752 /nfs/dbraw/zinc/21/67/52/782216752.db2.gz UJBPSEIKLOLBDQ-BXSSEVMYSA-N 1 2 292.343 -1.343 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1cn[nH]n1 ZINC001114863020 782216766 /nfs/dbraw/zinc/21/67/66/782216766.db2.gz UJBPSEIKLOLBDQ-BXSSEVMYSA-N 1 2 292.343 -1.343 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1c[nH]nn1 ZINC001114863020 782216772 /nfs/dbraw/zinc/21/67/72/782216772.db2.gz UJBPSEIKLOLBDQ-BXSSEVMYSA-N 1 2 292.343 -1.343 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1c[nH]nn1 ZINC001114863020 782216780 /nfs/dbraw/zinc/21/67/80/782216780.db2.gz UJBPSEIKLOLBDQ-BXSSEVMYSA-N 1 2 292.343 -1.343 20 0 CAADLO CN1C(=O)CC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(N)=O ZINC001095906597 782217208 /nfs/dbraw/zinc/21/72/08/782217208.db2.gz CXHYRQBBNGZAPY-VPOLOUISSA-N 1 2 294.355 -1.186 20 0 CAADLO CN1C(=O)CC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(N)=O ZINC001095906597 782217213 /nfs/dbraw/zinc/21/72/13/782217213.db2.gz CXHYRQBBNGZAPY-VPOLOUISSA-N 1 2 294.355 -1.186 20 0 CAADLO CC(=O)NC[C@@H]1CC[N@@H+]1CC(=O)N1CCC(C(N)=O)CC1 ZINC001037982576 782225070 /nfs/dbraw/zinc/22/50/70/782225070.db2.gz ZRQKZBINRZRCKU-LBPRGKRZSA-N 1 2 296.371 -1.079 20 0 CAADLO CC(=O)NC[C@@H]1CC[N@H+]1CC(=O)N1CCC(C(N)=O)CC1 ZINC001037982576 782225076 /nfs/dbraw/zinc/22/50/76/782225076.db2.gz ZRQKZBINRZRCKU-LBPRGKRZSA-N 1 2 296.371 -1.079 20 0 CAADLO CC(=O)NC[C@H]1CC[N@H+]1Cc1cc(=O)n(C)c(=O)n1C ZINC001037990096 782225569 /nfs/dbraw/zinc/22/55/69/782225569.db2.gz GIOKIAGBOMZLFN-SNVBAGLBSA-N 1 2 280.328 -1.206 20 0 CAADLO CC(=O)NC[C@H]1CC[N@@H+]1Cc1cc(=O)n(C)c(=O)n1C ZINC001037990096 782225577 /nfs/dbraw/zinc/22/55/77/782225577.db2.gz GIOKIAGBOMZLFN-SNVBAGLBSA-N 1 2 280.328 -1.206 20 0 CAADLO CC(=O)NC[C@@H]1CC[N@H+]1Cc1cc(=O)n(C)c(=O)n1C ZINC001037990091 782226043 /nfs/dbraw/zinc/22/60/43/782226043.db2.gz GIOKIAGBOMZLFN-JTQLQIEISA-N 1 2 280.328 -1.206 20 0 CAADLO CC(=O)NC[C@@H]1CC[N@@H+]1Cc1cc(=O)n(C)c(=O)n1C ZINC001037990091 782226046 /nfs/dbraw/zinc/22/60/46/782226046.db2.gz GIOKIAGBOMZLFN-JTQLQIEISA-N 1 2 280.328 -1.206 20 0 CAADLO CC(=O)NC[C@H]1CC[N@@H+]1CC(=O)N1CCC[C@H](C(N)=O)C1 ZINC001037994153 782226129 /nfs/dbraw/zinc/22/61/29/782226129.db2.gz VCHHHVRUVREFTJ-NWDGAFQWSA-N 1 2 296.371 -1.079 20 0 CAADLO CC(=O)NC[C@H]1CC[N@H+]1CC(=O)N1CCC[C@H](C(N)=O)C1 ZINC001037994153 782226134 /nfs/dbraw/zinc/22/61/34/782226134.db2.gz VCHHHVRUVREFTJ-NWDGAFQWSA-N 1 2 296.371 -1.079 20 0 CAADLO Cn1c[nH+]cc1CN1CC[C@@H]1CNC(=O)c1nnn(C)n1 ZINC001038610484 782227909 /nfs/dbraw/zinc/22/79/09/782227909.db2.gz KXFACGUTMYCRQD-SECBINFHSA-N 1 2 290.331 -1.052 20 0 CAADLO Cn1c[nH+]cc1CN1CC[C@H]1CNC(=O)c1nnn(C)n1 ZINC001038610485 782227937 /nfs/dbraw/zinc/22/79/37/782227937.db2.gz KXFACGUTMYCRQD-VIFPVBQESA-N 1 2 290.331 -1.052 20 0 CAADLO CC(=O)NCC1(O)CN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001041055099 782229003 /nfs/dbraw/zinc/22/90/03/782229003.db2.gz SMJKJMBTJWDSOQ-UHFFFAOYSA-N 1 2 252.274 -1.338 20 0 CAADLO O=C(Cc1[nH]cc[nH+]1)N1CC(O)(CNC(=O)C(F)F)C1 ZINC001041080105 782236912 /nfs/dbraw/zinc/23/69/12/782236912.db2.gz FDEYZUSNNNHPJB-UHFFFAOYSA-N 1 2 288.254 -1.093 20 0 CAADLO CN(C)C(=O)C[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CCN(C)C1=O ZINC001038624285 782232932 /nfs/dbraw/zinc/23/29/32/782232932.db2.gz WRKZSQVHZWWOCS-QWRGUYRKSA-N 1 2 296.371 -1.257 20 0 CAADLO CN(C)C(=O)C[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CCN(C)C1=O ZINC001038624285 782232937 /nfs/dbraw/zinc/23/29/37/782232937.db2.gz WRKZSQVHZWWOCS-QWRGUYRKSA-N 1 2 296.371 -1.257 20 0 CAADLO CN(C)C(=O)C[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCN(C)C1=O ZINC001038624280 782233265 /nfs/dbraw/zinc/23/32/65/782233265.db2.gz WRKZSQVHZWWOCS-MNOVXSKESA-N 1 2 296.371 -1.257 20 0 CAADLO CN(C)C(=O)C[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCN(C)C1=O ZINC001038624280 782233274 /nfs/dbraw/zinc/23/32/74/782233274.db2.gz WRKZSQVHZWWOCS-MNOVXSKESA-N 1 2 296.371 -1.257 20 0 CAADLO COCCC(=O)NCC1(O)CN(C(=O)Cn2cc[nH+]c2)C1 ZINC001041074186 782234440 /nfs/dbraw/zinc/23/44/40/782234440.db2.gz RGRKZLPIQYNSSI-UHFFFAOYSA-N 1 2 296.327 -1.391 20 0 CAADLO CC(=O)NCC1(O)CN(C(=O)CCn2cc[nH+]c2)C1 ZINC001041067984 782234712 /nfs/dbraw/zinc/23/47/12/782234712.db2.gz QUVMCRZMSHLMPI-UHFFFAOYSA-N 1 2 266.301 -1.017 20 0 CAADLO O=C(NC[C@@H]1CC[N@@H+]1[C@@H]1CCNC1=O)c1c[nH]c(=O)cn1 ZINC001038638790 782241147 /nfs/dbraw/zinc/24/11/47/782241147.db2.gz KNPBHMBZRLDITM-WCBMZHEXSA-N 1 2 291.311 -1.538 20 0 CAADLO O=C(NC[C@@H]1CC[N@H+]1[C@@H]1CCNC1=O)c1c[nH]c(=O)cn1 ZINC001038638790 782241153 /nfs/dbraw/zinc/24/11/53/782241153.db2.gz KNPBHMBZRLDITM-WCBMZHEXSA-N 1 2 291.311 -1.538 20 0 CAADLO O=C(NC[C@@H]1CC[N@@H+]1[C@H]1CCNC1=O)c1c[nH]c(=O)cn1 ZINC001038638791 782241461 /nfs/dbraw/zinc/24/14/61/782241461.db2.gz KNPBHMBZRLDITM-WPRPVWTQSA-N 1 2 291.311 -1.538 20 0 CAADLO O=C(NC[C@@H]1CC[N@H+]1[C@H]1CCNC1=O)c1c[nH]c(=O)cn1 ZINC001038638791 782241468 /nfs/dbraw/zinc/24/14/68/782241468.db2.gz KNPBHMBZRLDITM-WPRPVWTQSA-N 1 2 291.311 -1.538 20 0 CAADLO CN(C)C(=O)C[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CCNC(=O)C1 ZINC001038157506 782241585 /nfs/dbraw/zinc/24/15/85/782241585.db2.gz KNYYXXFHVZIGLH-QWRGUYRKSA-N 1 2 296.371 -1.209 20 0 CAADLO CN(C)C(=O)C[N@H+]1CC[C@H]1CNC(=O)[C@H]1CCNC(=O)C1 ZINC001038157506 782241600 /nfs/dbraw/zinc/24/16/00/782241600.db2.gz KNYYXXFHVZIGLH-QWRGUYRKSA-N 1 2 296.371 -1.209 20 0 CAADLO O=C(NC[C@H]1CC[N@@H+]1[C@@H]1CCNC1=O)c1c[nH]c(=O)cn1 ZINC001038638787 782241774 /nfs/dbraw/zinc/24/17/74/782241774.db2.gz KNPBHMBZRLDITM-PSASIEDQSA-N 1 2 291.311 -1.538 20 0 CAADLO O=C(NC[C@H]1CC[N@H+]1[C@@H]1CCNC1=O)c1c[nH]c(=O)cn1 ZINC001038638787 782241780 /nfs/dbraw/zinc/24/17/80/782241780.db2.gz KNPBHMBZRLDITM-PSASIEDQSA-N 1 2 291.311 -1.538 20 0 CAADLO CN(C)C(=O)C[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1COC(=O)N1 ZINC001038211828 782242147 /nfs/dbraw/zinc/24/21/47/782242147.db2.gz HFEXKOOPHLZAFI-BDAKNGLRSA-N 1 2 284.316 -1.627 20 0 CAADLO CN(C)C(=O)C[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1COC(=O)N1 ZINC001038211828 782242158 /nfs/dbraw/zinc/24/21/58/782242158.db2.gz HFEXKOOPHLZAFI-BDAKNGLRSA-N 1 2 284.316 -1.627 20 0 CAADLO Cn1nncc1C(=O)NC[C@H]1CC[N@@H+]1[C@@H]1CCCNC1=O ZINC001038214720 782242187 /nfs/dbraw/zinc/24/21/87/782242187.db2.gz NULAANSFXPNCMR-NXEZZACHSA-N 1 2 292.343 -1.102 20 0 CAADLO Cn1nncc1C(=O)NC[C@H]1CC[N@H+]1[C@@H]1CCCNC1=O ZINC001038214720 782242195 /nfs/dbraw/zinc/24/21/95/782242195.db2.gz NULAANSFXPNCMR-NXEZZACHSA-N 1 2 292.343 -1.102 20 0 CAADLO CC(=O)N1CC(C(=O)NC[C@@H]2CC[N@@H+]2[C@@H]2CCNC2=O)C1 ZINC001038202323 782243478 /nfs/dbraw/zinc/24/34/78/782243478.db2.gz WQTFDWHQCNCKJE-NWDGAFQWSA-N 1 2 294.355 -1.456 20 0 CAADLO CC(=O)N1CC(C(=O)NC[C@@H]2CC[N@H+]2[C@@H]2CCNC2=O)C1 ZINC001038202323 782243489 /nfs/dbraw/zinc/24/34/89/782243489.db2.gz WQTFDWHQCNCKJE-NWDGAFQWSA-N 1 2 294.355 -1.456 20 0 CAADLO Cn1nncc1C(=O)NC[C@H]1CC[N@@H+]1[C@H]1CCCNC1=O ZINC001038214728 782243511 /nfs/dbraw/zinc/24/35/11/782243511.db2.gz NULAANSFXPNCMR-ZJUUUORDSA-N 1 2 292.343 -1.102 20 0 CAADLO Cn1nncc1C(=O)NC[C@H]1CC[N@H+]1[C@H]1CCCNC1=O ZINC001038214728 782243520 /nfs/dbraw/zinc/24/35/20/782243520.db2.gz NULAANSFXPNCMR-ZJUUUORDSA-N 1 2 292.343 -1.102 20 0 CAADLO CN(C)C(=O)C[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CCCC(=O)N1 ZINC001038390199 782245935 /nfs/dbraw/zinc/24/59/35/782245935.db2.gz ZMPHQIPDCWXLAM-WDEREUQCSA-N 1 2 296.371 -1.066 20 0 CAADLO CN(C)C(=O)C[N@H+]1CC[C@H]1CNC(=O)[C@H]1CCCC(=O)N1 ZINC001038390199 782245942 /nfs/dbraw/zinc/24/59/42/782245942.db2.gz ZMPHQIPDCWXLAM-WDEREUQCSA-N 1 2 296.371 -1.066 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CC[C@H]1CNC(=O)c1cn[nH]c(=O)c1 ZINC001038373680 782247123 /nfs/dbraw/zinc/24/71/23/782247123.db2.gz MJOZJJCCVRLALP-CBAPKCEASA-N 1 2 279.300 -1.140 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CC[C@H]1CNC(=O)c1cn[nH]c(=O)c1 ZINC001038373680 782247125 /nfs/dbraw/zinc/24/71/25/782247125.db2.gz MJOZJJCCVRLALP-CBAPKCEASA-N 1 2 279.300 -1.140 20 0 CAADLO CN(C)C(=O)C[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCC(=O)NC1 ZINC001038454827 782247586 /nfs/dbraw/zinc/24/75/86/782247586.db2.gz ZQUIBBSGQWEWJM-GHMZBOCLSA-N 1 2 296.371 -1.209 20 0 CAADLO CN(C)C(=O)C[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCC(=O)NC1 ZINC001038454827 782247596 /nfs/dbraw/zinc/24/75/96/782247596.db2.gz ZQUIBBSGQWEWJM-GHMZBOCLSA-N 1 2 296.371 -1.209 20 0 CAADLO Cn1c(C(=O)NC[C@H]2CC[N@@H+]2[C@H]2CCNC2=O)c[nH]c1=O ZINC001038599524 782249827 /nfs/dbraw/zinc/24/98/27/782249827.db2.gz JHYGVYCJXPVWMK-BDAKNGLRSA-N 1 2 293.327 -1.182 20 0 CAADLO Cn1c(C(=O)NC[C@H]2CC[N@H+]2[C@H]2CCNC2=O)c[nH]c1=O ZINC001038599524 782249833 /nfs/dbraw/zinc/24/98/33/782249833.db2.gz JHYGVYCJXPVWMK-BDAKNGLRSA-N 1 2 293.327 -1.182 20 0 CAADLO O=C(C[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CCNC1=O)N1CCC1 ZINC001038582734 782251130 /nfs/dbraw/zinc/25/11/30/782251130.db2.gz DOPPOQNAXWNCDZ-MNOVXSKESA-N 1 2 294.355 -1.455 20 0 CAADLO O=C(C[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CCNC1=O)N1CCC1 ZINC001038582734 782251131 /nfs/dbraw/zinc/25/11/31/782251131.db2.gz DOPPOQNAXWNCDZ-MNOVXSKESA-N 1 2 294.355 -1.455 20 0 CAADLO Cn1cc(C(=O)NC[C@H]2CC[N@@H+]2[C@H]2CCNC2=O)[nH]c1=O ZINC001038656765 782254016 /nfs/dbraw/zinc/25/40/16/782254016.db2.gz GAVWQTJHGIRYBV-SCZZXKLOSA-N 1 2 293.327 -1.182 20 0 CAADLO Cn1cc(C(=O)NC[C@H]2CC[N@H+]2[C@H]2CCNC2=O)[nH]c1=O ZINC001038656765 782254024 /nfs/dbraw/zinc/25/40/24/782254024.db2.gz GAVWQTJHGIRYBV-SCZZXKLOSA-N 1 2 293.327 -1.182 20 0 CAADLO Cn1c[nH+]cc1CN1CC[C@@H]1CNC(=O)[C@H]1CNC(=O)N1 ZINC001038652100 782254225 /nfs/dbraw/zinc/25/42/25/782254225.db2.gz SCDQUYXAFJSFRL-MWLCHTKSSA-N 1 2 292.343 -1.208 20 0 CAADLO CC[C@H](C(N)=O)[N@@H+]1CC[C@@H]1CNC(=O)c1c[nH]c(=O)cn1 ZINC001038652123 782254544 /nfs/dbraw/zinc/25/45/44/782254544.db2.gz RKEOXLWILDQZSJ-PSASIEDQSA-N 1 2 293.327 -1.162 20 0 CAADLO CC[C@H](C(N)=O)[N@H+]1CC[C@@H]1CNC(=O)c1c[nH]c(=O)cn1 ZINC001038652123 782254550 /nfs/dbraw/zinc/25/45/50/782254550.db2.gz RKEOXLWILDQZSJ-PSASIEDQSA-N 1 2 293.327 -1.162 20 0 CAADLO Cn1cc(C[N@@H+]2CC[C@H]2CNC(=O)[C@@H]2CNC(=O)N2)cn1 ZINC001038655055 782254599 /nfs/dbraw/zinc/25/45/99/782254599.db2.gz SRSRCELOPAICNO-QWRGUYRKSA-N 1 2 292.343 -1.208 20 0 CAADLO Cn1cc(C[N@H+]2CC[C@H]2CNC(=O)[C@@H]2CNC(=O)N2)cn1 ZINC001038655055 782254605 /nfs/dbraw/zinc/25/46/05/782254605.db2.gz SRSRCELOPAICNO-QWRGUYRKSA-N 1 2 292.343 -1.208 20 0 CAADLO Cn1cc(C[N@@H+]2CC[C@@H]2CNC(=O)[C@H]2CNC(=O)N2)cn1 ZINC001038655053 782254810 /nfs/dbraw/zinc/25/48/10/782254810.db2.gz SRSRCELOPAICNO-GHMZBOCLSA-N 1 2 292.343 -1.208 20 0 CAADLO Cn1cc(C[N@H+]2CC[C@@H]2CNC(=O)[C@H]2CNC(=O)N2)cn1 ZINC001038655053 782254818 /nfs/dbraw/zinc/25/48/18/782254818.db2.gz SRSRCELOPAICNO-GHMZBOCLSA-N 1 2 292.343 -1.208 20 0 CAADLO CC[C@H](C(N)=O)[N@@H+]1CC[C@H]1CNC(=O)c1c[nH]c(=O)cn1 ZINC001038652125 782254838 /nfs/dbraw/zinc/25/48/38/782254838.db2.gz RKEOXLWILDQZSJ-WCBMZHEXSA-N 1 2 293.327 -1.162 20 0 CAADLO CC[C@H](C(N)=O)[N@H+]1CC[C@H]1CNC(=O)c1c[nH]c(=O)cn1 ZINC001038652125 782254846 /nfs/dbraw/zinc/25/48/46/782254846.db2.gz RKEOXLWILDQZSJ-WCBMZHEXSA-N 1 2 293.327 -1.162 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+]1CC[C@H]1CNC(=O)c1c[nH]c(=O)cn1 ZINC001038651748 782252289 /nfs/dbraw/zinc/25/22/89/782252289.db2.gz OUWCNUMXPHLJKX-BDAKNGLRSA-N 1 2 293.327 -1.292 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+]1CC[C@H]1CNC(=O)c1c[nH]c(=O)cn1 ZINC001038651748 782252300 /nfs/dbraw/zinc/25/23/00/782252300.db2.gz OUWCNUMXPHLJKX-BDAKNGLRSA-N 1 2 293.327 -1.292 20 0 CAADLO CN1CC[C@H](C(=O)NC[C@@H]2CC[N@@H+]2CCO)S1(=O)=O ZINC001038802605 782258061 /nfs/dbraw/zinc/25/80/61/782258061.db2.gz UOPOBHSJVSCPOV-VHSXEESVSA-N 1 2 291.373 -1.797 20 0 CAADLO CN1CC[C@H](C(=O)NC[C@@H]2CC[N@H+]2CCO)S1(=O)=O ZINC001038802605 782258072 /nfs/dbraw/zinc/25/80/72/782258072.db2.gz UOPOBHSJVSCPOV-VHSXEESVSA-N 1 2 291.373 -1.797 20 0 CAADLO Cn1ncc(C(=O)NC[C@H]2CC[N@@H+]2CCn2cncn2)n1 ZINC001038803751 782259091 /nfs/dbraw/zinc/25/90/91/782259091.db2.gz DNBFWCCLVMSQHZ-SNVBAGLBSA-N 1 2 290.331 -1.089 20 0 CAADLO Cn1ncc(C(=O)NC[C@H]2CC[N@H+]2CCn2cncn2)n1 ZINC001038803751 782259101 /nfs/dbraw/zinc/25/91/01/782259101.db2.gz DNBFWCCLVMSQHZ-SNVBAGLBSA-N 1 2 290.331 -1.089 20 0 CAADLO CN1CC[C@@H](C(=O)NC[C@H]2CC[N@@H+]2CCO)S1(=O)=O ZINC001038802606 782259215 /nfs/dbraw/zinc/25/92/15/782259215.db2.gz UOPOBHSJVSCPOV-ZJUUUORDSA-N 1 2 291.373 -1.797 20 0 CAADLO CN1CC[C@@H](C(=O)NC[C@H]2CC[N@H+]2CCO)S1(=O)=O ZINC001038802606 782259226 /nfs/dbraw/zinc/25/92/26/782259226.db2.gz UOPOBHSJVSCPOV-ZJUUUORDSA-N 1 2 291.373 -1.797 20 0 CAADLO CN(C)C(=O)C[N@@H+]1CC[C@H]1CNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001038705583 782255927 /nfs/dbraw/zinc/25/59/27/782255927.db2.gz VGAUYCDPPPPQJQ-AEJSXWLSSA-N 1 2 282.344 -1.614 20 0 CAADLO CN(C)C(=O)C[N@H+]1CC[C@H]1CNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001038705583 782255938 /nfs/dbraw/zinc/25/59/38/782255938.db2.gz VGAUYCDPPPPQJQ-AEJSXWLSSA-N 1 2 282.344 -1.614 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(N)=O ZINC001039426950 782268431 /nfs/dbraw/zinc/26/84/31/782268431.db2.gz YVPSXSXDNZQVDU-SFYZADRCSA-N 1 2 254.290 -1.978 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(N)=O ZINC001039426950 782268435 /nfs/dbraw/zinc/26/84/35/782268435.db2.gz YVPSXSXDNZQVDU-SFYZADRCSA-N 1 2 254.290 -1.978 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(N)=O ZINC001039426369 782268504 /nfs/dbraw/zinc/26/85/04/782268504.db2.gz CLGLWSKCLKFLFY-YIZRAAEISA-N 1 2 268.317 -1.589 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(N)=O ZINC001039426369 782268514 /nfs/dbraw/zinc/26/85/14/782268514.db2.gz CLGLWSKCLKFLFY-YIZRAAEISA-N 1 2 268.317 -1.589 20 0 CAADLO CN(C)C(=O)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(N)=O ZINC001039426595 782268592 /nfs/dbraw/zinc/26/85/92/782268592.db2.gz KSHFCZHPBMOKGV-ZJUUUORDSA-N 1 2 282.344 -1.375 20 0 CAADLO CN(C)C(=O)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(N)=O ZINC001039426595 782268598 /nfs/dbraw/zinc/26/85/98/782268598.db2.gz KSHFCZHPBMOKGV-ZJUUUORDSA-N 1 2 282.344 -1.375 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1COCCO1 ZINC001039352642 782269030 /nfs/dbraw/zinc/26/90/30/782269030.db2.gz WAUINCIELQCUHY-WOPDTQHZSA-N 1 2 297.355 -1.048 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1COCCO1 ZINC001039352642 782269045 /nfs/dbraw/zinc/26/90/45/782269045.db2.gz WAUINCIELQCUHY-WOPDTQHZSA-N 1 2 297.355 -1.048 20 0 CAADLO NC(=O)CC(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2[C@H]1CCNC1=O ZINC001039533355 782269127 /nfs/dbraw/zinc/26/91/27/782269127.db2.gz FAOIJJLPYGLHNE-AXFHLTTASA-N 1 2 294.355 -1.184 20 0 CAADLO NC(=O)CC(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2[C@H]1CCNC1=O ZINC001039533355 782269131 /nfs/dbraw/zinc/26/91/31/782269131.db2.gz FAOIJJLPYGLHNE-AXFHLTTASA-N 1 2 294.355 -1.184 20 0 CAADLO NC(=O)C(=O)NC[C@]1(O)CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001040743253 782281116 /nfs/dbraw/zinc/28/11/16/782281116.db2.gz KWGFIMYVPKAKOD-GFCCVEGCSA-N 1 2 295.299 -2.483 20 0 CAADLO NC(=O)C(=O)NC[C@@]1(O)CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001040743254 782281136 /nfs/dbraw/zinc/28/11/36/782281136.db2.gz KWGFIMYVPKAKOD-LBPRGKRZSA-N 1 2 295.299 -2.483 20 0 CAADLO NC(=O)C(=O)NC[C@]1(O)CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001040753757 782284741 /nfs/dbraw/zinc/28/47/41/782284741.db2.gz VAACVLXPQSPNEA-GFCCVEGCSA-N 1 2 295.299 -2.552 20 0 CAADLO NC(=O)C(=O)NC[C@@]1(O)CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001040753760 782285217 /nfs/dbraw/zinc/28/52/17/782285217.db2.gz VAACVLXPQSPNEA-LBPRGKRZSA-N 1 2 295.299 -2.552 20 0 CAADLO O=C(Cc1c[nH+]c[nH]1)N1CC(O)(CNC(=O)C(F)F)C1 ZINC001041087926 782293494 /nfs/dbraw/zinc/29/34/94/782293494.db2.gz RIDCCGVRWZMHFL-UHFFFAOYSA-N 1 2 288.254 -1.093 20 0 CAADLO COCC(=O)NCC1(O)CN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001041154568 782297157 /nfs/dbraw/zinc/29/71/57/782297157.db2.gz NYBGNKIHWOJQMX-UHFFFAOYSA-N 1 2 296.327 -1.403 20 0 CAADLO COCC(=O)N1CC[C@@](O)(CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001041035712 782289653 /nfs/dbraw/zinc/28/96/53/782289653.db2.gz LCQKGMXCZIQCDB-CYBMUJFWSA-N 1 2 296.327 -1.322 20 0 CAADLO COCC(=O)NCC1(O)CN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001041166542 782300460 /nfs/dbraw/zinc/30/04/60/782300460.db2.gz UIYRKWATMOVFOP-UHFFFAOYSA-N 1 2 282.300 -1.712 20 0 CAADLO COCC(=O)NCC1(O)CN(C(=O)CCn2cc[nH+]c2)C1 ZINC001041160382 782298476 /nfs/dbraw/zinc/29/84/76/782298476.db2.gz JRRLTHSYUOQGRA-UHFFFAOYSA-N 1 2 296.327 -1.391 20 0 CAADLO Cn1cnnc1C[N@@H+]1CC[C@@]2(CCN(C(=O)C(N)=O)C2)C1 ZINC001041616226 782312549 /nfs/dbraw/zinc/31/25/49/782312549.db2.gz LLFUBADUUTVISR-CYBMUJFWSA-N 1 2 292.343 -1.275 20 0 CAADLO Cn1cnnc1C[N@H+]1CC[C@@]2(CCN(C(=O)C(N)=O)C2)C1 ZINC001041616226 782312561 /nfs/dbraw/zinc/31/25/61/782312561.db2.gz LLFUBADUUTVISR-CYBMUJFWSA-N 1 2 292.343 -1.275 20 0 CAADLO CO[C@@H](C)C(=O)NCC1(O)CN(C(=O)Cn2cc[nH+]c2)C1 ZINC001041773696 782318365 /nfs/dbraw/zinc/31/83/65/782318365.db2.gz VZJIJKFBJHXVIS-JTQLQIEISA-N 1 2 296.327 -1.393 20 0 CAADLO CS(=O)(=O)CC(=O)N1CC[C@@H]2CC[N@H+](CCO)[C@H]2C1 ZINC001041968529 782320792 /nfs/dbraw/zinc/32/07/92/782320792.db2.gz GSCYEXBOXDGBSM-QWRGUYRKSA-N 1 2 290.385 -1.054 20 0 CAADLO CS(=O)(=O)CC(=O)N1CC[C@@H]2CC[N@@H+](CCO)[C@H]2C1 ZINC001041968529 782320802 /nfs/dbraw/zinc/32/08/02/782320802.db2.gz GSCYEXBOXDGBSM-QWRGUYRKSA-N 1 2 290.385 -1.054 20 0 CAADLO NC(=O)CC(=O)NCC1(O)CN(C(=O)Cn2cc[nH+]c2)C1 ZINC001042223984 782328669 /nfs/dbraw/zinc/32/86/69/782328669.db2.gz YBRHLBZPTISCDZ-UHFFFAOYSA-N 1 2 295.299 -2.552 20 0 CAADLO COC(=O)CS(=O)(=O)N1CC([N@H+](C)[C@H]2CCOC2)C1 ZINC001259023169 782330458 /nfs/dbraw/zinc/33/04/58/782330458.db2.gz SZAGBJGYKOCOBP-VIFPVBQESA-N 1 2 292.357 -1.106 20 0 CAADLO COC(=O)CS(=O)(=O)N1CC([N@@H+](C)[C@H]2CCOC2)C1 ZINC001259023169 782330465 /nfs/dbraw/zinc/33/04/65/782330465.db2.gz SZAGBJGYKOCOBP-VIFPVBQESA-N 1 2 292.357 -1.106 20 0 CAADLO CN(C(=O)[C@H]1COCCO1)C1C[NH+](CCCO)C1 ZINC001042490782 782333407 /nfs/dbraw/zinc/33/34/07/782333407.db2.gz MEMKJVDCTBSAAF-LLVKDONJSA-N 1 2 258.318 -1.073 20 0 CAADLO CN(C(=O)Cn1cnnn1)C1C[NH+](CCn2cncn2)C1 ZINC001042456040 782333771 /nfs/dbraw/zinc/33/37/71/782333771.db2.gz XFHUEFNHCOVHBW-UHFFFAOYSA-N 1 2 291.319 -1.893 20 0 CAADLO COCC[NH+]1CC(N(C)C(=O)Cn2cnnn2)C1 ZINC001042455815 782334106 /nfs/dbraw/zinc/33/41/06/782334106.db2.gz RMCATDCLFCQLEN-UHFFFAOYSA-N 1 2 254.294 -1.538 20 0 CAADLO CN(C(=O)[C@H]1COCCN1C)C1C[NH+](CCO)C1 ZINC001042636597 782339536 /nfs/dbraw/zinc/33/95/36/782339536.db2.gz QBQQKPPSFIDTDK-LLVKDONJSA-N 1 2 257.334 -1.548 20 0 CAADLO CN(C(=O)c1cnn(C)c1N)C1C[NH+](CCO)C1 ZINC001042644266 782340655 /nfs/dbraw/zinc/34/06/55/782340655.db2.gz WIDGKWWLJVNKFZ-UHFFFAOYSA-N 1 2 253.306 -1.249 20 0 CAADLO COCC[NH+]1CC(N(C)C(=O)[C@H]2COC(=O)N2)C1 ZINC001042668998 782341935 /nfs/dbraw/zinc/34/19/35/782341935.db2.gz BZBRBNUJNSXBRJ-SECBINFHSA-N 1 2 257.290 -1.116 20 0 CAADLO C[C@@H](O)C[NH+]1CC(N(C)C(=O)c2cn(C)nn2)C1 ZINC001042683233 782343033 /nfs/dbraw/zinc/34/30/33/782343033.db2.gz NGERGTBIYOPZGO-MRVPVSSYSA-N 1 2 253.306 -1.048 20 0 CAADLO NC(=O)C(=O)N1CC(O)(CNC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001042826271 782347269 /nfs/dbraw/zinc/34/72/69/782347269.db2.gz HUSWZKIUYRSIHV-UHFFFAOYSA-N 1 2 295.299 -2.483 20 0 CAADLO CN(C(=O)Cn1nccn1)C1C[NH+](CCn2cncn2)C1 ZINC001042798727 782348099 /nfs/dbraw/zinc/34/80/99/782348099.db2.gz FVJKCAJLXGTHGL-UHFFFAOYSA-N 1 2 290.331 -1.288 20 0 CAADLO COCCN1C[C@@H](C(=O)N(C)C2C[NH+](CCO)C2)CC1=O ZINC001042835570 782348704 /nfs/dbraw/zinc/34/87/04/782348704.db2.gz SKGPSKQRIFGQIQ-NSHDSACASA-N 1 2 299.371 -1.384 20 0 CAADLO CCN1C[C@@H](C(=O)N(C)C2C[NH+](CCO)C2)CC1=O ZINC001042837689 782348802 /nfs/dbraw/zinc/34/88/02/782348802.db2.gz KVQOACCCBMXDAO-JTQLQIEISA-N 1 2 269.345 -1.010 20 0 CAADLO C[C@@H](C(=O)N(C)C1C[NH+](CCO)C1)N1C(=O)CCC1=O ZINC001042836264 782349098 /nfs/dbraw/zinc/34/90/98/782349098.db2.gz ZVAJQCVKLQIZMY-VIFPVBQESA-N 1 2 283.328 -1.341 20 0 CAADLO COCC[NH+]1CC(N(C)C(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001042956378 782354150 /nfs/dbraw/zinc/35/41/50/782354150.db2.gz JUUDAXIPHDAOLO-VIFPVBQESA-N 1 2 284.316 -1.627 20 0 CAADLO CN(C(=O)[C@H]1CCCNC1=O)C1C[NH+](CCO)C1 ZINC001042993040 782354699 /nfs/dbraw/zinc/35/46/99/782354699.db2.gz WPMAWBWBJLPGAV-JTQLQIEISA-N 1 2 255.318 -1.353 20 0 CAADLO CN(C(=O)[C@@H]1CCN(C)C(=O)C1)C1C[NH+](CCO)C1 ZINC001043116335 782358185 /nfs/dbraw/zinc/35/81/85/782358185.db2.gz RZSHWYFRJMKYTN-SNVBAGLBSA-N 1 2 269.345 -1.010 20 0 CAADLO COCC[NH+]1CC(N(C)C(=O)CN2CCN(C)C(=O)C2)C1 ZINC001043142880 782358218 /nfs/dbraw/zinc/35/82/18/782358218.db2.gz HXEVFYJKODQATC-UHFFFAOYSA-N 1 2 298.387 -1.451 20 0 CAADLO CN(C(=O)[C@H]1CCN(C)C(=O)C1)C1C[NH+](CCO)C1 ZINC001043116333 782359031 /nfs/dbraw/zinc/35/90/31/782359031.db2.gz RZSHWYFRJMKYTN-JTQLQIEISA-N 1 2 269.345 -1.010 20 0 CAADLO CN(C(=O)c1ccc2nnnn2c1)C1C[NH+](CCO)C1 ZINC001043330207 782362572 /nfs/dbraw/zinc/36/25/72/782362572.db2.gz NPVJTEGUTKWUIZ-UHFFFAOYSA-N 1 2 276.300 -1.127 20 0 CAADLO CN(C(=O)[C@H]1CCC(=O)NC1)C1C[NH+](CCO)C1 ZINC001043192665 782360150 /nfs/dbraw/zinc/36/01/50/782360150.db2.gz DIVQAQLKMGBHHO-VIFPVBQESA-N 1 2 255.318 -1.353 20 0 CAADLO CCn1cc(CC(=O)N(C)C2C[NH+](CCO)C2)nn1 ZINC001043423219 782363760 /nfs/dbraw/zinc/36/37/60/782363760.db2.gz DLCFWIBJKAFZJF-UHFFFAOYSA-N 1 2 267.333 -1.025 20 0 CAADLO CN(C(=O)c1cn(C)c(=O)cn1)C1C[NH+](CCO)C1 ZINC001043398378 782364526 /nfs/dbraw/zinc/36/45/26/782364526.db2.gz JKKBURSXVDTLNH-UHFFFAOYSA-N 1 2 266.301 -1.471 20 0 CAADLO NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CNC(=O)N1)C2 ZINC001095945756 782367852 /nfs/dbraw/zinc/36/78/52/782367852.db2.gz FGPABMRPFMYGQU-XAVMHZPKSA-N 1 2 281.316 -2.125 20 0 CAADLO NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CNC(=O)N1)C2 ZINC001095945756 782367857 /nfs/dbraw/zinc/36/78/57/782367857.db2.gz FGPABMRPFMYGQU-XAVMHZPKSA-N 1 2 281.316 -2.125 20 0 CAADLO CN(C(=O)[C@@H]1Cc2cncn2C(=O)N1)C1C[NH+](CCO)C1 ZINC001043436422 782365480 /nfs/dbraw/zinc/36/54/80/782365480.db2.gz WPPCANNJCOPPFN-NSHDSACASA-N 1 2 293.327 -1.500 20 0 CAADLO CN(C(=O)[C@@H]1CN(C)C(=O)N1)C1C[NH+](CCO)C1 ZINC001043523568 782367883 /nfs/dbraw/zinc/36/78/83/782367883.db2.gz GJFQPSDMNDNTAQ-VIFPVBQESA-N 1 2 256.306 -1.855 20 0 CAADLO CN(C(=O)[C@]1(C)CNC(=O)C1)C1C[NH+](CCO)C1 ZINC001043441466 782365602 /nfs/dbraw/zinc/36/56/02/782365602.db2.gz SIPGZXKJJAWYQB-LBPRGKRZSA-N 1 2 255.318 -1.353 20 0 CAADLO CO[C@H]1C[C@H](C(=O)N(C)C2C[NH+](CCO)C2)N(C(C)=O)C1 ZINC001043481412 782366119 /nfs/dbraw/zinc/36/61/19/782366119.db2.gz BYSXBANFLVXGEW-QWHCGFSZSA-N 1 2 299.371 -1.243 20 0 CAADLO COCC[NH+]1CC(N(C)C(=O)CN2CCNC(=O)C2)C1 ZINC001043517066 782366645 /nfs/dbraw/zinc/36/66/45/782366645.db2.gz LUCQMAJWUJTJKS-UHFFFAOYSA-N 1 2 284.360 -1.793 20 0 CAADLO CNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CNC(=O)N1)C2 ZINC001095946089 782366727 /nfs/dbraw/zinc/36/67/27/782366727.db2.gz NXBOFCIDNCFOED-RGOKHQFPSA-N 1 2 295.343 -1.865 20 0 CAADLO CNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CNC(=O)N1)C2 ZINC001095946089 782366734 /nfs/dbraw/zinc/36/67/34/782366734.db2.gz NXBOFCIDNCFOED-RGOKHQFPSA-N 1 2 295.343 -1.865 20 0 CAADLO CN(C(=O)[C@H]1CC[C@@H]1C(N)=O)C1C[NH+](CCO)C1 ZINC001043533184 782369259 /nfs/dbraw/zinc/36/92/59/782369259.db2.gz RFVWGWQDCBQDJU-UWVGGRQHSA-N 1 2 255.318 -1.367 20 0 CAADLO C[C@H](O)C[NH+]1CC(N(C)C(=O)c2nnn(C)n2)C1 ZINC001043551615 782370079 /nfs/dbraw/zinc/37/00/79/782370079.db2.gz WUGWUNXHDNHRQY-ZETCQYMHSA-N 1 2 254.294 -1.653 20 0 CAADLO CN(C(=O)[C@H]1CCC(=O)N1C)C1C[NH+](CCO)C1 ZINC001043616932 782371492 /nfs/dbraw/zinc/37/14/92/782371492.db2.gz PIVHPAISNAEUJI-SNVBAGLBSA-N 1 2 255.318 -1.258 20 0 CAADLO COCC[NH+]1CC(N(C)C(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC001043526550 782368608 /nfs/dbraw/zinc/36/86/08/782368608.db2.gz ZSIYXZRLOJDOIZ-JTQLQIEISA-N 1 2 270.333 -1.201 20 0 CAADLO CN(C(=O)[C@H]1CCNC1=O)C1C[NH+](CCn2cncn2)C1 ZINC001043533958 782368764 /nfs/dbraw/zinc/36/87/64/782368764.db2.gz KWRSRZZCKRUMHY-NSHDSACASA-N 1 2 292.343 -1.443 20 0 CAADLO COCCC(=O)N1CC(O)(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001043710742 782374949 /nfs/dbraw/zinc/37/49/49/782374949.db2.gz JWPCMARWTNYFHX-UHFFFAOYSA-N 1 2 296.327 -1.391 20 0 CAADLO CC(=O)N1CC(O)(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001043709742 782375419 /nfs/dbraw/zinc/37/54/19/782375419.db2.gz HDZPJWNVPGCBPN-UHFFFAOYSA-N 1 2 252.274 -1.408 20 0 CAADLO CN(C(=O)[C@H]1CNC(=O)N1)C1C[NH+](CCn2cncn2)C1 ZINC001043704592 782375658 /nfs/dbraw/zinc/37/56/58/782375658.db2.gz NKKDFRGJOZVFOC-SNVBAGLBSA-N 1 2 293.331 -1.898 20 0 CAADLO NC(=O)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H]1CCC(=O)NC1=O ZINC001095954321 782377904 /nfs/dbraw/zinc/37/79/04/782377904.db2.gz ONJMTFUVVLQQEI-XGEHTFHBSA-N 1 2 294.311 -2.002 20 0 CAADLO NC(=O)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H]1CCC(=O)NC1=O ZINC001095954321 782377914 /nfs/dbraw/zinc/37/79/14/782377914.db2.gz ONJMTFUVVLQQEI-XGEHTFHBSA-N 1 2 294.311 -2.002 20 0 CAADLO C[C@H](C(=O)N(C)C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(N)=O)C2 ZINC001095954565 782378103 /nfs/dbraw/zinc/37/81/03/782378103.db2.gz ZVPWTNBRAUTLFK-IMSYWVGJSA-N 1 2 282.344 -1.330 20 0 CAADLO C[C@H](C(=O)N(C)C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(N)=O)C2 ZINC001095954565 782378112 /nfs/dbraw/zinc/37/81/12/782378112.db2.gz ZVPWTNBRAUTLFK-IMSYWVGJSA-N 1 2 282.344 -1.330 20 0 CAADLO CN(C(=O)[C@@H]1CCN(C)C1=O)C1C[NH+](CCO)C1 ZINC001043576442 782372508 /nfs/dbraw/zinc/37/25/08/782372508.db2.gz SZYVZWXBWNIWDK-SNVBAGLBSA-N 1 2 255.318 -1.400 20 0 CAADLO COCC[NH+]1CC(N(C)C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001043703206 782373326 /nfs/dbraw/zinc/37/33/26/782373326.db2.gz BHJGQUSGOWFVDJ-VIFPVBQESA-N 1 2 256.306 -1.543 20 0 CAADLO CCN1CC[C@H]([N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C(N)=O)C3)C1=O ZINC001095954254 782378518 /nfs/dbraw/zinc/37/85/18/782378518.db2.gz LCNYEEJUEOWLOG-RCWTZXSCSA-N 1 2 294.355 -1.186 20 0 CAADLO CCN1CC[C@H]([N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C(N)=O)C3)C1=O ZINC001095954254 782378528 /nfs/dbraw/zinc/37/85/28/782378528.db2.gz LCNYEEJUEOWLOG-RCWTZXSCSA-N 1 2 294.355 -1.186 20 0 CAADLO CN1CC[C@@H]([N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C(N)=O)C3)C1=O ZINC001095955615 782378583 /nfs/dbraw/zinc/37/85/83/782378583.db2.gz OKDLZSZWDJYCBM-XFWSIPNHSA-N 1 2 280.328 -1.576 20 0 CAADLO CN1CC[C@@H]([N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C(N)=O)C3)C1=O ZINC001095955615 782378594 /nfs/dbraw/zinc/37/85/94/782378594.db2.gz OKDLZSZWDJYCBM-XFWSIPNHSA-N 1 2 280.328 -1.576 20 0 CAADLO CN(C(=O)C(N)=O)C1C[NH+](C[C@H](O)Cn2cccn2)C1 ZINC001043724587 782378793 /nfs/dbraw/zinc/37/87/93/782378793.db2.gz VSXDPZTXWSIRNC-JTQLQIEISA-N 1 2 281.316 -2.128 20 0 CAADLO Cn1c[nH+]cc1CC(=O)NCC1(O)CN(C(=O)C(N)=O)C1 ZINC001044011145 782386915 /nfs/dbraw/zinc/38/69/15/782386915.db2.gz KHCCUWXHZCQIBK-UHFFFAOYSA-N 1 2 295.299 -2.863 20 0 CAADLO C[C@@H](O)C[NH+]1CC(N(C)C(=O)c2cnn(C)n2)C1 ZINC001044050556 782387468 /nfs/dbraw/zinc/38/74/68/782387468.db2.gz QKWUYYXWAVWDCT-MRVPVSSYSA-N 1 2 253.306 -1.048 20 0 CAADLO NC(=O)C(=O)N1CC(O)(CNC(=O)CCn2cc[nH+]c2)C1 ZINC001044137565 782391311 /nfs/dbraw/zinc/39/13/11/782391311.db2.gz MKBGMVMBPUXCTN-UHFFFAOYSA-N 1 2 295.299 -2.552 20 0 CAADLO C[C@H](O)C[NH+]1CC(N(C)C(=O)c2cnn(C)n2)C1 ZINC001044050557 782387761 /nfs/dbraw/zinc/38/77/61/782387761.db2.gz QKWUYYXWAVWDCT-QMMMGPOBSA-N 1 2 253.306 -1.048 20 0 CAADLO CN(C(=O)CN1CC(=O)NC1=O)C1C[NH+](CCO)C1 ZINC001044063350 782388087 /nfs/dbraw/zinc/38/80/87/782388087.db2.gz AGMHLPHLQDPVGP-UHFFFAOYSA-N 1 2 270.289 -2.327 20 0 CAADLO COCC[NH+]1CC(N(C)C(=O)CN2CC(=O)N(C)C2=O)C1 ZINC001044180381 782391385 /nfs/dbraw/zinc/39/13/85/782391385.db2.gz HXAFGTIQBAZKPQ-UHFFFAOYSA-N 1 2 298.343 -1.331 20 0 CAADLO C[C@H](C(N)=O)N1CC(N(C)C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001044090348 782388876 /nfs/dbraw/zinc/38/88/76/782388876.db2.gz JJNKGNMJIRHZNK-MRVPVSSYSA-N 1 2 265.317 -1.031 20 0 CAADLO CN(C(=O)c1cc(C(N)=O)c[nH]1)C1C[NH+](CCO)C1 ZINC001044093410 782389563 /nfs/dbraw/zinc/38/95/63/782389563.db2.gz WCHHYKGODTWIKD-UHFFFAOYSA-N 1 2 266.301 -1.138 20 0 CAADLO CN(C(=O)Cc1[nH]cc[nH+]1)C1CN(CC(N)=O)C1 ZINC001044090603 782389834 /nfs/dbraw/zinc/38/98/34/782389834.db2.gz PBWKSOZOLBXRDN-UHFFFAOYSA-N 1 2 251.290 -1.420 20 0 CAADLO COCC[NH+]1CC(N(C)C(=O)CN2CCC(=O)NC2=O)C1 ZINC001044148193 782391441 /nfs/dbraw/zinc/39/14/41/782391441.db2.gz KTHKUOQUDAZQDY-UHFFFAOYSA-N 1 2 298.343 -1.283 20 0 CAADLO CN(C(=O)CN1C(=O)NC(=O)C1(C)C)C1C[NH+](CCO)C1 ZINC001044141585 782390461 /nfs/dbraw/zinc/39/04/61/782390461.db2.gz RGUBXTJUNIGSIA-UHFFFAOYSA-N 1 2 298.343 -1.548 20 0 CAADLO C[C@@H](O)C[NH+]1CC(N(C)C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001043857956 782383440 /nfs/dbraw/zinc/38/34/40/782383440.db2.gz BVFBSEKYCTVRIY-DVVUODLYSA-N 1 2 285.344 -1.457 20 0 CAADLO CN(C(=O)[C@@]1(C)CCNC1=O)C1C[NH+](CCO)C1 ZINC001043851885 782383664 /nfs/dbraw/zinc/38/36/64/782383664.db2.gz LVRQSSQUYARMOV-LBPRGKRZSA-N 1 2 255.318 -1.353 20 0 CAADLO CNC(=O)CN1CC(N(C)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001043975859 782384048 /nfs/dbraw/zinc/38/40/48/782384048.db2.gz ILWOYARMOBDWPR-UHFFFAOYSA-N 1 2 265.317 -1.159 20 0 CAADLO COCC(=O)N1CC(O)(CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001044007292 782385825 /nfs/dbraw/zinc/38/58/25/782385825.db2.gz KQQSSAJPMABBPL-UHFFFAOYSA-N 1 2 296.327 -1.702 20 0 CAADLO CN(C(=O)C1CC2(C1)NC(=O)NC2=O)C1C[NH+](CCO)C1 ZINC001044039918 782386015 /nfs/dbraw/zinc/38/60/15/782386015.db2.gz UQAPLBOQEHLGDM-UHFFFAOYSA-N 1 2 296.327 -1.891 20 0 CAADLO CN(C(=O)Cc1c[nH+]c[nH]1)C1CN(Cc2nnnn2C)C1 ZINC001043978233 782386474 /nfs/dbraw/zinc/38/64/74/782386474.db2.gz SGTUNZRBFZHJSG-UHFFFAOYSA-N 1 2 290.331 -1.182 20 0 CAADLO CC(=O)N1CCO[C@H](C(=O)N(C)C2C[NH+](CCO)C2)C1 ZINC001044248949 782394602 /nfs/dbraw/zinc/39/46/02/782394602.db2.gz SMKZNXVMHQTWBL-LBPRGKRZSA-N 1 2 285.344 -1.631 20 0 CAADLO CN(C(=O)c1cn(C)c(=O)[nH]c1=O)C1C[NH+](CCO)C1 ZINC001044289146 782396101 /nfs/dbraw/zinc/39/61/01/782396101.db2.gz PDMPPSYLBMJRCP-UHFFFAOYSA-N 1 2 282.300 -1.766 20 0 CAADLO COCC[NH+]1CC(N(C)C(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001044307107 782396324 /nfs/dbraw/zinc/39/63/24/782396324.db2.gz KNRKYMDFTZTCLL-JTQLQIEISA-N 1 2 291.373 -1.533 20 0 CAADLO COCC[NH+]1CC(N(C)C(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001044307108 782396676 /nfs/dbraw/zinc/39/66/76/782396676.db2.gz KNRKYMDFTZTCLL-SNVBAGLBSA-N 1 2 291.373 -1.533 20 0 CAADLO CN(C(=O)CN1C(=O)CNC1=O)C1C[NH+](CCO)C1 ZINC001044271944 782396836 /nfs/dbraw/zinc/39/68/36/782396836.db2.gz ZWJZQIQXQFVPKB-UHFFFAOYSA-N 1 2 270.289 -2.327 20 0 CAADLO CN(C(=O)[C@@H]1CCc2nncn2C1)C1C[NH+](CCO)C1 ZINC001044328572 782398044 /nfs/dbraw/zinc/39/80/44/782398044.db2.gz ITEQLFVDZOLENR-SNVBAGLBSA-N 1 2 279.344 -1.025 20 0 CAADLO CC(=O)N1CC(O)(CNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001044323822 782398135 /nfs/dbraw/zinc/39/81/35/782398135.db2.gz VNRQVFIHAPBDIV-UHFFFAOYSA-N 1 2 266.301 -1.030 20 0 CAADLO CN(C(=O)[C@@H]1CCC(=O)N(C)C1)C1C[NH+](CCO)C1 ZINC001044338364 782398409 /nfs/dbraw/zinc/39/84/09/782398409.db2.gz FZJKCOFSEWFQBZ-SNVBAGLBSA-N 1 2 269.345 -1.010 20 0 CAADLO CN(C(=O)Cn1cc[nH+]c1)C1CN([C@H]2CCNC2=O)C1 ZINC001044365086 782398561 /nfs/dbraw/zinc/39/85/61/782398561.db2.gz JBOZOGLMGXJEPA-NSHDSACASA-N 1 2 277.328 -1.086 20 0 CAADLO CN(C(=O)c1cccc(C(N)=O)n1)C1C[NH+](CCO)C1 ZINC001044349213 782398836 /nfs/dbraw/zinc/39/88/36/782398836.db2.gz MLWWUTMNWPGYMQ-UHFFFAOYSA-N 1 2 278.312 -1.071 20 0 CAADLO CN(C(=O)c1cn(CC(N)=O)nn1)C1C[NH+](CCCF)C1 ZINC001044334749 782398892 /nfs/dbraw/zinc/39/88/92/782398892.db2.gz UDIKIHQAXAPDNT-UHFFFAOYSA-N 1 2 298.322 -1.121 20 0 CAADLO Cc1[nH+]c[nH]c1CC(=O)NCC1(O)CN(C(=O)C(N)=O)C1 ZINC001044323273 782399012 /nfs/dbraw/zinc/39/90/12/782399012.db2.gz IUMFNIJZYRIRGB-UHFFFAOYSA-N 1 2 295.299 -2.565 20 0 CAADLO CC(=O)N1CCO[C@H](C(=O)N(C)C2C[NH+](C[C@H](C)O)C2)C1 ZINC001044248086 782392318 /nfs/dbraw/zinc/39/23/18/782392318.db2.gz CSPBCUAGQGNCJE-GWCFXTLKSA-N 1 2 299.371 -1.243 20 0 CAADLO CN(C(=O)Cc1c[nH+]cn1C)C1CN([C@@H]2CCNC2=O)C1 ZINC001044187379 782393069 /nfs/dbraw/zinc/39/30/69/782393069.db2.gz BHDLIUVZKQGTSB-GFCCVEGCSA-N 1 2 291.355 -1.006 20 0 CAADLO CN(C(=O)Cc1c[nH+]cn1C)C1CN([C@H]2CCNC2=O)C1 ZINC001044187380 782393263 /nfs/dbraw/zinc/39/32/63/782393263.db2.gz BHDLIUVZKQGTSB-LBPRGKRZSA-N 1 2 291.355 -1.006 20 0 CAADLO CC(=O)N1CCO[C@@H](C(=O)N(C)C2C[NH+](CCO)C2)C1 ZINC001044248939 782393412 /nfs/dbraw/zinc/39/34/12/782393412.db2.gz SMKZNXVMHQTWBL-GFCCVEGCSA-N 1 2 285.344 -1.631 20 0 CAADLO C[C@H]1C[C@H]([NH2+]CC(N)=O)CCN1C(=O)Cc1ncn[nH]1 ZINC001044814509 782407453 /nfs/dbraw/zinc/40/74/53/782407453.db2.gz FJQOYYXVKZHAPR-DTWKUNHWSA-N 1 2 280.332 -1.198 20 0 CAADLO Cc1nc(N2C[C@@H](NC(=O)C(N)=O)[C@@H](O)C2)c(C)c(C)[nH+]1 ZINC001044425632 782399588 /nfs/dbraw/zinc/39/95/88/782399588.db2.gz GNYUXLXCEWNIFV-ZJUUUORDSA-N 1 2 293.327 -1.447 20 0 CAADLO C[C@@]1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(N)=O)CCNC1=O ZINC001096003549 782410365 /nfs/dbraw/zinc/41/03/65/782410365.db2.gz LHKAINABLIJSDF-MAGOMRGPSA-N 1 2 294.355 -1.281 20 0 CAADLO C[C@@]1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(N)=O)CCNC1=O ZINC001096003549 782410371 /nfs/dbraw/zinc/41/03/71/782410371.db2.gz LHKAINABLIJSDF-MAGOMRGPSA-N 1 2 294.355 -1.281 20 0 CAADLO Cn1nnc(C[NH2+]C[C@@H]2CCCN2C(=O)c2cn[nH]n2)n1 ZINC001045100671 782410933 /nfs/dbraw/zinc/41/09/33/782410933.db2.gz HIZTVPHJXMOERV-QMMMGPOBSA-N 1 2 291.319 -1.277 20 0 CAADLO CCOCC(=O)N1CC(O)(CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001045277613 782415165 /nfs/dbraw/zinc/41/51/65/782415165.db2.gz VINVRPPMTUXCGG-UHFFFAOYSA-N 1 2 296.327 -1.322 20 0 CAADLO NC(=O)C(=O)NCC1(O)CN(C(=O)CCn2cc[nH+]c2)C1 ZINC001045504197 782420266 /nfs/dbraw/zinc/42/02/66/782420266.db2.gz KEMFPLWDZRXNGY-UHFFFAOYSA-N 1 2 295.299 -2.552 20 0 CAADLO Cc1c(C(=O)N[C@@]2(C)CC[N@H+](CC(N)=O)C2)nnn1C ZINC001046204919 782433976 /nfs/dbraw/zinc/43/39/76/782433976.db2.gz HSHJQGVJPPGSKI-LBPRGKRZSA-N 1 2 280.332 -1.197 20 0 CAADLO Cc1c(C(=O)N[C@@]2(C)CC[N@@H+](CC(N)=O)C2)nnn1C ZINC001046204919 782433978 /nfs/dbraw/zinc/43/39/78/782433978.db2.gz HSHJQGVJPPGSKI-LBPRGKRZSA-N 1 2 280.332 -1.197 20 0 CAADLO C[C@]1(NC(=O)c2cc[n+]([O-])cc2)CC[N@H+](CC(N)=O)C1 ZINC001046124646 782434174 /nfs/dbraw/zinc/43/41/74/782434174.db2.gz JPWSTGMDWXHBDP-ZDUSSCGKSA-N 1 2 278.312 -1.001 20 0 CAADLO C[C@]1(NC(=O)c2cc[n+]([O-])cc2)CC[N@@H+](CC(N)=O)C1 ZINC001046124646 782434180 /nfs/dbraw/zinc/43/41/80/782434180.db2.gz JPWSTGMDWXHBDP-ZDUSSCGKSA-N 1 2 278.312 -1.001 20 0 CAADLO C[C@@]1(NC(=O)c2nccnc2N)CC[N@H+](CC(N)=O)C1 ZINC001046204844 782434428 /nfs/dbraw/zinc/43/44/28/782434428.db2.gz SSVXRZUHOROIFS-GFCCVEGCSA-N 1 2 278.316 -1.262 20 0 CAADLO C[C@@]1(NC(=O)c2nccnc2N)CC[N@@H+](CC(N)=O)C1 ZINC001046204844 782434435 /nfs/dbraw/zinc/43/44/35/782434435.db2.gz SSVXRZUHOROIFS-GFCCVEGCSA-N 1 2 278.316 -1.262 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@](C)(NC(=O)c2cnnn2C)C1 ZINC001046284727 782435759 /nfs/dbraw/zinc/43/57/59/782435759.db2.gz XELHOPMWQMDQIH-LBPRGKRZSA-N 1 2 280.332 -1.245 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@](C)(NC(=O)c2cnnn2C)C1 ZINC001046284727 782435768 /nfs/dbraw/zinc/43/57/68/782435768.db2.gz XELHOPMWQMDQIH-LBPRGKRZSA-N 1 2 280.332 -1.245 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@](C)(NC(=O)c2cn(C)nn2)C1 ZINC001046277634 782435963 /nfs/dbraw/zinc/43/59/63/782435963.db2.gz HNNRXIAQEGPUDN-GFCCVEGCSA-N 1 2 280.332 -1.245 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@](C)(NC(=O)c2cn(C)nn2)C1 ZINC001046277634 782435970 /nfs/dbraw/zinc/43/59/70/782435970.db2.gz HNNRXIAQEGPUDN-GFCCVEGCSA-N 1 2 280.332 -1.245 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@](C)(NC(=O)c2cn(C)nn2)C1 ZINC001046277635 782436011 /nfs/dbraw/zinc/43/60/11/782436011.db2.gz HNNRXIAQEGPUDN-LBPRGKRZSA-N 1 2 280.332 -1.245 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@](C)(NC(=O)c2cn(C)nn2)C1 ZINC001046277635 782436017 /nfs/dbraw/zinc/43/60/17/782436017.db2.gz HNNRXIAQEGPUDN-LBPRGKRZSA-N 1 2 280.332 -1.245 20 0 CAADLO Cn1nncc1C(=O)N[C@]1(C)CC[N@H+](CC(N)=O)C1 ZINC001046285971 782436212 /nfs/dbraw/zinc/43/62/12/782436212.db2.gz NMRAMTFDNULPJY-LLVKDONJSA-N 1 2 266.305 -1.505 20 0 CAADLO Cn1nncc1C(=O)N[C@]1(C)CC[N@@H+](CC(N)=O)C1 ZINC001046285971 782436216 /nfs/dbraw/zinc/43/62/16/782436216.db2.gz NMRAMTFDNULPJY-LLVKDONJSA-N 1 2 266.305 -1.505 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CC[C@](C)(NC(=O)c2ncn(C)n2)C1 ZINC001046297015 782436809 /nfs/dbraw/zinc/43/68/09/782436809.db2.gz WYYXTAIXRAVKQE-UFBFGSQYSA-N 1 2 280.332 -1.117 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CC[C@](C)(NC(=O)c2ncn(C)n2)C1 ZINC001046297015 782436816 /nfs/dbraw/zinc/43/68/16/782436816.db2.gz WYYXTAIXRAVKQE-UFBFGSQYSA-N 1 2 280.332 -1.117 20 0 CAADLO CCn1ncc(C(=O)N[C@]2(C)CC[N@H+](CC(N)=O)C2)n1 ZINC001046297667 782436869 /nfs/dbraw/zinc/43/68/69/782436869.db2.gz GKSKWYQFMGEINU-GFCCVEGCSA-N 1 2 280.332 -1.023 20 0 CAADLO CCn1ncc(C(=O)N[C@]2(C)CC[N@@H+](CC(N)=O)C2)n1 ZINC001046297667 782436874 /nfs/dbraw/zinc/43/68/74/782436874.db2.gz GKSKWYQFMGEINU-GFCCVEGCSA-N 1 2 280.332 -1.023 20 0 CAADLO Cn1cnc(C(=O)N[C@@]2(C)CC[N@H+](CC(N)=O)C2)n1 ZINC001046287189 782437004 /nfs/dbraw/zinc/43/70/04/782437004.db2.gz IVQFAGYMTUDKLO-NSHDSACASA-N 1 2 266.305 -1.505 20 0 CAADLO Cn1cnc(C(=O)N[C@@]2(C)CC[N@@H+](CC(N)=O)C2)n1 ZINC001046287189 782437013 /nfs/dbraw/zinc/43/70/13/782437013.db2.gz IVQFAGYMTUDKLO-NSHDSACASA-N 1 2 266.305 -1.505 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@](C)(NC(=O)c2ncn(C)n2)C1 ZINC001046285349 782437428 /nfs/dbraw/zinc/43/74/28/782437428.db2.gz GGNFUXQVHQVITM-GFCCVEGCSA-N 1 2 280.332 -1.245 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@](C)(NC(=O)c2ncn(C)n2)C1 ZINC001046285349 782437430 /nfs/dbraw/zinc/43/74/30/782437430.db2.gz GGNFUXQVHQVITM-GFCCVEGCSA-N 1 2 280.332 -1.245 20 0 CAADLO C[C@]1(NC(=O)c2ccc(C(N)=O)[nH]2)CC[N@H+](CC(N)=O)C1 ZINC001046626709 782444816 /nfs/dbraw/zinc/44/48/16/782444816.db2.gz TWUAXTHCWHUSMA-ZDUSSCGKSA-N 1 2 293.327 -1.207 20 0 CAADLO C[C@]1(NC(=O)c2ccc(C(N)=O)[nH]2)CC[N@@H+](CC(N)=O)C1 ZINC001046626709 782444820 /nfs/dbraw/zinc/44/48/20/782444820.db2.gz TWUAXTHCWHUSMA-ZDUSSCGKSA-N 1 2 293.327 -1.207 20 0 CAADLO Cn1ncc(C(=O)N[C@@]2(C)CC[N@H+](CC(N)=O)C2)n1 ZINC001046694457 782445421 /nfs/dbraw/zinc/44/54/21/782445421.db2.gz AXSBARKOWKMCSU-NSHDSACASA-N 1 2 266.305 -1.505 20 0 CAADLO Cn1ncc(C(=O)N[C@@]2(C)CC[N@@H+](CC(N)=O)C2)n1 ZINC001046694457 782445425 /nfs/dbraw/zinc/44/54/25/782445425.db2.gz AXSBARKOWKMCSU-NSHDSACASA-N 1 2 266.305 -1.505 20 0 CAADLO Cn1nnc(C(=O)N[C@@]2(C)CC[N@H+](CC(N)=O)C2)n1 ZINC001046543465 782440345 /nfs/dbraw/zinc/44/03/45/782440345.db2.gz GQEVNOFAXJWHBU-JTQLQIEISA-N 1 2 267.293 -2.110 20 0 CAADLO Cn1nnc(C(=O)N[C@@]2(C)CC[N@@H+](CC(N)=O)C2)n1 ZINC001046543465 782440352 /nfs/dbraw/zinc/44/03/52/782440352.db2.gz GQEVNOFAXJWHBU-JTQLQIEISA-N 1 2 267.293 -2.110 20 0 CAADLO C[C@@]1(NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)CC[N@H+](CC(N)=O)C1 ZINC001046616766 782444081 /nfs/dbraw/zinc/44/40/81/782444081.db2.gz JUMPHBATUMKEIM-IGJMFERPSA-N 1 2 298.343 -1.915 20 0 CAADLO C[C@@]1(NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)CC[N@@H+](CC(N)=O)C1 ZINC001046616766 782444085 /nfs/dbraw/zinc/44/40/85/782444085.db2.gz JUMPHBATUMKEIM-IGJMFERPSA-N 1 2 298.343 -1.915 20 0 CAADLO CC(=O)N(C)[C@H]1C[N@H+](C[C@H]2CCS(=O)(=O)C2)C[C@@H]1O ZINC001047271032 782454026 /nfs/dbraw/zinc/45/40/26/782454026.db2.gz AOZFJZDESOGAJB-WOPDTQHZSA-N 1 2 290.385 -1.056 20 0 CAADLO CC(=O)N(C)[C@H]1C[N@@H+](C[C@H]2CCS(=O)(=O)C2)C[C@@H]1O ZINC001047271032 782454033 /nfs/dbraw/zinc/45/40/33/782454033.db2.gz AOZFJZDESOGAJB-WOPDTQHZSA-N 1 2 290.385 -1.056 20 0 CAADLO C[C@]1(NC(=O)c2cnon2)CC[N@H+](CC(N)=O)C1 ZINC001046716689 782446421 /nfs/dbraw/zinc/44/64/21/782446421.db2.gz MJZWQWAEUWGCSK-JTQLQIEISA-N 1 2 253.262 -1.251 20 0 CAADLO C[C@]1(NC(=O)c2cnon2)CC[N@@H+](CC(N)=O)C1 ZINC001046716689 782446426 /nfs/dbraw/zinc/44/64/26/782446426.db2.gz MJZWQWAEUWGCSK-JTQLQIEISA-N 1 2 253.262 -1.251 20 0 CAADLO C[C@@]1(NC(=O)c2c[nH]c(C(N)=O)c2)CC[N@H+](CC(N)=O)C1 ZINC001046842382 782448018 /nfs/dbraw/zinc/44/80/18/782448018.db2.gz VVOUOEWPRDQQKM-CYBMUJFWSA-N 1 2 293.327 -1.207 20 0 CAADLO C[C@@]1(NC(=O)c2c[nH]c(C(N)=O)c2)CC[N@@H+](CC(N)=O)C1 ZINC001046842382 782448021 /nfs/dbraw/zinc/44/80/21/782448021.db2.gz VVOUOEWPRDQQKM-CYBMUJFWSA-N 1 2 293.327 -1.207 20 0 CAADLO C[C@]1(NC(=O)c2c[nH]c(C(N)=O)c2)CC[N@H+](CC(N)=O)C1 ZINC001046842385 782449141 /nfs/dbraw/zinc/44/91/41/782449141.db2.gz VVOUOEWPRDQQKM-ZDUSSCGKSA-N 1 2 293.327 -1.207 20 0 CAADLO C[C@]1(NC(=O)c2c[nH]c(C(N)=O)c2)CC[N@@H+](CC(N)=O)C1 ZINC001046842385 782449142 /nfs/dbraw/zinc/44/91/42/782449142.db2.gz VVOUOEWPRDQQKM-ZDUSSCGKSA-N 1 2 293.327 -1.207 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C2CCOCC2)C1 ZINC001047277542 782454298 /nfs/dbraw/zinc/45/42/98/782454298.db2.gz XXVCCTYAKYAPDK-DLOVCJGASA-N 1 2 299.371 -1.210 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C2CCOCC2)C1 ZINC001047277542 782454304 /nfs/dbraw/zinc/45/43/04/782454304.db2.gz XXVCCTYAKYAPDK-DLOVCJGASA-N 1 2 299.371 -1.210 20 0 CAADLO CC(=O)N(C)[C@H]1C[N@H+](CC(=O)N2CCC2)C[C@@H]1O ZINC001047267049 782453220 /nfs/dbraw/zinc/45/32/20/782453220.db2.gz QRMWGIVARDQXDS-QWRGUYRKSA-N 1 2 255.318 -1.258 20 0 CAADLO CC(=O)N(C)[C@H]1C[N@@H+](CC(=O)N2CCC2)C[C@@H]1O ZINC001047267049 782453229 /nfs/dbraw/zinc/45/32/29/782453229.db2.gz QRMWGIVARDQXDS-QWRGUYRKSA-N 1 2 255.318 -1.258 20 0 CAADLO CNC(=O)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C2=COCCO2)C1 ZINC001047288345 782455863 /nfs/dbraw/zinc/45/58/63/782455863.db2.gz PVOREWCWDMJJJI-UWVGGRQHSA-N 1 2 299.327 -1.876 20 0 CAADLO CNC(=O)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C2=COCCO2)C1 ZINC001047288345 782455866 /nfs/dbraw/zinc/45/58/66/782455866.db2.gz PVOREWCWDMJJJI-UWVGGRQHSA-N 1 2 299.327 -1.876 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2cnnn2)C1 ZINC001047295468 782456035 /nfs/dbraw/zinc/45/60/35/782456035.db2.gz MBCHMXKKCODKTJ-VGMNWLOBSA-N 1 2 297.319 -2.950 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2cnnn2)C1 ZINC001047295468 782456039 /nfs/dbraw/zinc/45/60/39/782456039.db2.gz MBCHMXKKCODKTJ-VGMNWLOBSA-N 1 2 297.319 -2.950 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC(=O)N2)C1 ZINC001047325503 782461577 /nfs/dbraw/zinc/46/15/77/782461577.db2.gz GFCGAUDWBXXNQQ-IMSYWVGJSA-N 1 2 298.343 -2.358 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2cnnn2)C1 ZINC001047295467 782456139 /nfs/dbraw/zinc/45/61/39/782456139.db2.gz MBCHMXKKCODKTJ-CIUDSAMLSA-N 1 2 297.319 -2.950 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2cnnn2)C1 ZINC001047295467 782456147 /nfs/dbraw/zinc/45/61/47/782456147.db2.gz MBCHMXKKCODKTJ-CIUDSAMLSA-N 1 2 297.319 -2.950 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC(=O)N2)C1 ZINC001047325503 782461581 /nfs/dbraw/zinc/46/15/81/782461581.db2.gz GFCGAUDWBXXNQQ-IMSYWVGJSA-N 1 2 298.343 -2.358 20 0 CAADLO CN(C)C(=O)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCO2)C1 ZINC001047291756 782456769 /nfs/dbraw/zinc/45/67/69/782456769.db2.gz UCQXMJBEORGPLT-SDDRHHMPSA-N 1 2 299.371 -1.243 20 0 CAADLO CN(C)C(=O)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCO2)C1 ZINC001047291756 782456773 /nfs/dbraw/zinc/45/67/73/782456773.db2.gz UCQXMJBEORGPLT-SDDRHHMPSA-N 1 2 299.371 -1.243 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc[nH]n2)C1 ZINC001047311569 782458496 /nfs/dbraw/zinc/45/84/96/782458496.db2.gz FVZLYANYBLEBCI-LSJOCFKGSA-N 1 2 295.343 -1.339 20 0 CAADLO CNC(=O)[C@H](C)[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc[nH]n2)C1 ZINC001047311569 782458501 /nfs/dbraw/zinc/45/85/01/782458501.db2.gz FVZLYANYBLEBCI-LSJOCFKGSA-N 1 2 295.343 -1.339 20 0 CAADLO CNC(=O)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[C@@H]2CCCO2)C1 ZINC001047309621 782458935 /nfs/dbraw/zinc/45/89/35/782458935.db2.gz JIQOOBOXPAVVSC-SRVKXCTJSA-N 1 2 299.371 -1.195 20 0 CAADLO CNC(=O)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[C@@H]2CCCO2)C1 ZINC001047309621 782458938 /nfs/dbraw/zinc/45/89/38/782458938.db2.gz JIQOOBOXPAVVSC-SRVKXCTJSA-N 1 2 299.371 -1.195 20 0 CAADLO CC[C@H](C(N)=O)[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cn[nH]c2)C1 ZINC001047311689 782459048 /nfs/dbraw/zinc/45/90/48/782459048.db2.gz ASFVOVLCCPISDS-VWYCJHECSA-N 1 2 295.343 -1.209 20 0 CAADLO CC[C@H](C(N)=O)[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cn[nH]c2)C1 ZINC001047311689 782459053 /nfs/dbraw/zinc/45/90/53/782459053.db2.gz ASFVOVLCCPISDS-VWYCJHECSA-N 1 2 295.343 -1.209 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc[nH]n2)C1 ZINC001047311570 782459120 /nfs/dbraw/zinc/45/91/20/782459120.db2.gz FVZLYANYBLEBCI-MIMYLULJSA-N 1 2 295.343 -1.339 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc[nH]n2)C1 ZINC001047311570 782459123 /nfs/dbraw/zinc/45/91/23/782459123.db2.gz FVZLYANYBLEBCI-MIMYLULJSA-N 1 2 295.343 -1.339 20 0 CAADLO CN(C(=O)[C@@H]1COCCO1)[C@H]1C[N@H+](CCF)C[C@@H]1O ZINC001047312484 782459270 /nfs/dbraw/zinc/45/92/70/782459270.db2.gz WIKRMZWNODKPTI-DCAQKATOSA-N 1 2 276.308 -1.125 20 0 CAADLO CN(C(=O)[C@@H]1COCCO1)[C@H]1C[N@@H+](CCF)C[C@@H]1O ZINC001047312484 782459272 /nfs/dbraw/zinc/45/92/72/782459272.db2.gz WIKRMZWNODKPTI-DCAQKATOSA-N 1 2 276.308 -1.125 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC(=O)N2)C1 ZINC001047325504 782460812 /nfs/dbraw/zinc/46/08/12/782460812.db2.gz GFCGAUDWBXXNQQ-JXUBOQSCSA-N 1 2 298.343 -2.358 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC(=O)N2)C1 ZINC001047325504 782460819 /nfs/dbraw/zinc/46/08/19/782460819.db2.gz GFCGAUDWBXXNQQ-JXUBOQSCSA-N 1 2 298.343 -2.358 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2ccon2)C1 ZINC001047327644 782460917 /nfs/dbraw/zinc/46/09/17/782460917.db2.gz DPTOLNJFXCRRGB-LSJOCFKGSA-N 1 2 296.327 -1.406 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2ccon2)C1 ZINC001047327644 782460922 /nfs/dbraw/zinc/46/09/22/782460922.db2.gz DPTOLNJFXCRRGB-LSJOCFKGSA-N 1 2 296.327 -1.406 20 0 CAADLO CN(C(=O)c1ncccc1O)[C@H]1C[N@H+](CCO)C[C@@H]1O ZINC001047359136 782465975 /nfs/dbraw/zinc/46/59/75/782465975.db2.gz PZPAIMOYYCYFEL-ONGXEEELSA-N 1 2 281.312 -1.103 20 0 CAADLO CN(C(=O)c1ncccc1O)[C@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001047359136 782465978 /nfs/dbraw/zinc/46/59/78/782465978.db2.gz PZPAIMOYYCYFEL-ONGXEEELSA-N 1 2 281.312 -1.103 20 0 CAADLO CNC(=O)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[C@@H]2CCOC2)C1 ZINC001047329768 782462679 /nfs/dbraw/zinc/46/26/79/782462679.db2.gz BNWAIUSGINCLOZ-SRVKXCTJSA-N 1 2 299.371 -1.338 20 0 CAADLO CNC(=O)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[C@@H]2CCOC2)C1 ZINC001047329768 782462684 /nfs/dbraw/zinc/46/26/84/782462684.db2.gz BNWAIUSGINCLOZ-SRVKXCTJSA-N 1 2 299.371 -1.338 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCOC2)C1 ZINC001047396990 782473580 /nfs/dbraw/zinc/47/35/80/782473580.db2.gz ILWKIZAUVXXQGG-RCWTZXSCSA-N 1 2 285.344 -1.600 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCOC2)C1 ZINC001047396990 782473584 /nfs/dbraw/zinc/47/35/84/782473584.db2.gz ILWKIZAUVXXQGG-RCWTZXSCSA-N 1 2 285.344 -1.600 20 0 CAADLO CC(=O)N1CC(C(=O)N(C)[C@H]2C[N@H+](CCF)C[C@@H]2O)C1 ZINC001047363056 782468261 /nfs/dbraw/zinc/46/82/61/782468261.db2.gz XNXMQVPOBNEGBX-RYUDHWBXSA-N 1 2 287.335 -1.062 20 0 CAADLO CC(=O)N1CC(C(=O)N(C)[C@H]2C[N@@H+](CCF)C[C@@H]2O)C1 ZINC001047363056 782468262 /nfs/dbraw/zinc/46/82/62/782468262.db2.gz XNXMQVPOBNEGBX-RYUDHWBXSA-N 1 2 287.335 -1.062 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ncc[nH]2)C1 ZINC001047376159 782469387 /nfs/dbraw/zinc/46/93/87/782469387.db2.gz VROKNAOKAJXNPQ-GUBZILKMSA-N 1 2 295.343 -1.339 20 0 CAADLO CNC(=O)[C@H](C)[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ncc[nH]2)C1 ZINC001047376159 782469391 /nfs/dbraw/zinc/46/93/91/782469391.db2.gz VROKNAOKAJXNPQ-GUBZILKMSA-N 1 2 295.343 -1.339 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2ncnn2)C1 ZINC001047381463 782470449 /nfs/dbraw/zinc/47/04/49/782470449.db2.gz NODHWRKZTPHHCC-CIUDSAMLSA-N 1 2 297.319 -2.950 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2ncnn2)C1 ZINC001047381463 782470451 /nfs/dbraw/zinc/47/04/51/782470451.db2.gz NODHWRKZTPHHCC-CIUDSAMLSA-N 1 2 297.319 -2.950 20 0 CAADLO CN(C(=O)C[C@@H]1CCNC1=O)[C@H]1C[N@H+](CCF)C[C@@H]1O ZINC001047406514 782472833 /nfs/dbraw/zinc/47/28/33/782472833.db2.gz FDKVBEWCCREFBD-DCAQKATOSA-N 1 2 287.335 -1.014 20 0 CAADLO CN(C(=O)C[C@@H]1CCNC1=O)[C@H]1C[N@@H+](CCF)C[C@@H]1O ZINC001047406514 782472839 /nfs/dbraw/zinc/47/28/39/782472839.db2.gz FDKVBEWCCREFBD-DCAQKATOSA-N 1 2 287.335 -1.014 20 0 CAADLO CN(C(=O)[C@@H]1CC(=O)N(C)C1)[C@H]1C[N@H+](CCF)C[C@@H]1O ZINC001047402268 782473226 /nfs/dbraw/zinc/47/32/26/782473226.db2.gz NMWMTTHCAWMWIS-VWYCJHECSA-N 1 2 287.335 -1.062 20 0 CAADLO CN(C(=O)[C@@H]1CC(=O)N(C)C1)[C@H]1C[N@@H+](CCF)C[C@@H]1O ZINC001047402268 782473236 /nfs/dbraw/zinc/47/32/36/782473236.db2.gz NMWMTTHCAWMWIS-VWYCJHECSA-N 1 2 287.335 -1.062 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2nccn2)C1 ZINC001047397779 782473287 /nfs/dbraw/zinc/47/32/87/782473287.db2.gz IQQKEXNRSONVDQ-UTLUCORTSA-N 1 2 296.331 -2.345 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2nccn2)C1 ZINC001047397779 782473294 /nfs/dbraw/zinc/47/32/94/782473294.db2.gz IQQKEXNRSONVDQ-UTLUCORTSA-N 1 2 296.331 -2.345 20 0 CAADLO CNC(=O)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2C[C@H]2C)C1 ZINC001047485598 782480676 /nfs/dbraw/zinc/48/06/76/782480676.db2.gz SZAWFQVYUBKKFU-ZNSHCXBVSA-N 1 2 269.345 -1.108 20 0 CAADLO CNC(=O)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2C[C@H]2C)C1 ZINC001047485598 782480681 /nfs/dbraw/zinc/48/06/81/782480681.db2.gz SZAWFQVYUBKKFU-ZNSHCXBVSA-N 1 2 269.345 -1.108 20 0 CAADLO CNC(=O)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCNC2=O)C1 ZINC001047482568 782481205 /nfs/dbraw/zinc/48/12/05/782481205.db2.gz CUDFOBRBONZTDD-GUBZILKMSA-N 1 2 298.343 -2.628 20 0 CAADLO CNC(=O)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCNC2=O)C1 ZINC001047482568 782481213 /nfs/dbraw/zinc/48/12/13/782481213.db2.gz CUDFOBRBONZTDD-GUBZILKMSA-N 1 2 298.343 -2.628 20 0 CAADLO Cc1n[nH]cc1C(=O)N(C)[C@H]1C[N@H+]([C@@H](C)C(N)=O)C[C@@H]1O ZINC001047478184 782481393 /nfs/dbraw/zinc/48/13/93/782481393.db2.gz OWYMUSPNABVVEC-LSJOCFKGSA-N 1 2 295.343 -1.291 20 0 CAADLO Cc1n[nH]cc1C(=O)N(C)[C@H]1C[N@@H+]([C@@H](C)C(N)=O)C[C@@H]1O ZINC001047478184 782481397 /nfs/dbraw/zinc/48/13/97/782481397.db2.gz OWYMUSPNABVVEC-LSJOCFKGSA-N 1 2 295.343 -1.291 20 0 CAADLO CN(C(=O)[C@]1(C)CNC(=O)C1)[C@H]1C[N@H+](CCF)C[C@@H]1O ZINC001047469222 782481462 /nfs/dbraw/zinc/48/14/62/782481462.db2.gz NEFMCWOTOHWIBA-KWBADKCTSA-N 1 2 287.335 -1.014 20 0 CAADLO CN(C(=O)[C@]1(C)CNC(=O)C1)[C@H]1C[N@@H+](CCF)C[C@@H]1O ZINC001047469222 782481469 /nfs/dbraw/zinc/48/14/69/782481469.db2.gz NEFMCWOTOHWIBA-KWBADKCTSA-N 1 2 287.335 -1.014 20 0 CAADLO CC[C@H](C(N)=O)[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cn[nH]n2)C1 ZINC001047441902 782477633 /nfs/dbraw/zinc/47/76/33/782477633.db2.gz VDFXLMPYCDNVBL-UTLUCORTSA-N 1 2 296.331 -1.814 20 0 CAADLO CC[C@H](C(N)=O)[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cn[nH]n2)C1 ZINC001047441902 782477640 /nfs/dbraw/zinc/47/76/40/782477640.db2.gz VDFXLMPYCDNVBL-UTLUCORTSA-N 1 2 296.331 -1.814 20 0 CAADLO CC[C@@H](C(N)=O)[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cn[nH]n2)C1 ZINC001047441818 782478918 /nfs/dbraw/zinc/47/89/18/782478918.db2.gz VDFXLMPYCDNVBL-GUBZILKMSA-N 1 2 296.331 -1.814 20 0 CAADLO CC[C@@H](C(N)=O)[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cn[nH]n2)C1 ZINC001047441818 782478923 /nfs/dbraw/zinc/47/89/23/782478923.db2.gz VDFXLMPYCDNVBL-GUBZILKMSA-N 1 2 296.331 -1.814 20 0 CAADLO CC[C@@H](F)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C(N)=O)C1 ZINC001047510079 782487015 /nfs/dbraw/zinc/48/70/15/782487015.db2.gz BACIZOVWHDYAFZ-VGMNWLOBSA-N 1 2 261.297 -1.277 20 0 CAADLO CC[C@@H](F)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C(N)=O)C1 ZINC001047510079 782487027 /nfs/dbraw/zinc/48/70/27/782487027.db2.gz BACIZOVWHDYAFZ-VGMNWLOBSA-N 1 2 261.297 -1.277 20 0 CAADLO CN(C(=O)C(N)=O)[C@H]1C[N@@H+]([C@@H]2CCCNC2=O)C[C@@H]1O ZINC001047507541 782487122 /nfs/dbraw/zinc/48/71/22/782487122.db2.gz ZYTRIZAGANEOGA-VGMNWLOBSA-N 1 2 284.316 -2.746 20 0 CAADLO CN(C(=O)C(N)=O)[C@H]1C[N@H+]([C@@H]2CCCNC2=O)C[C@@H]1O ZINC001047507541 782487125 /nfs/dbraw/zinc/48/71/25/782487125.db2.gz ZYTRIZAGANEOGA-VGMNWLOBSA-N 1 2 284.316 -2.746 20 0 CAADLO Cc1ncsc1C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C(N)=O)C1 ZINC001047506839 782485487 /nfs/dbraw/zinc/48/54/87/782485487.db2.gz GOJBKINSBSOXFD-IUCAKERBSA-N 1 2 298.368 -1.060 20 0 CAADLO Cc1ncsc1C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C(N)=O)C1 ZINC001047506839 782485490 /nfs/dbraw/zinc/48/54/90/782485490.db2.gz GOJBKINSBSOXFD-IUCAKERBSA-N 1 2 298.368 -1.060 20 0 CAADLO CN(C(=O)C(N)=O)[C@H]1C[N@H+](CCC(F)(F)F)C[C@@H]1O ZINC001047510101 782486925 /nfs/dbraw/zinc/48/69/25/782486925.db2.gz BYEMOILIAKOXJJ-BQBZGAKWSA-N 1 2 283.250 -1.072 20 0 CAADLO CN(C(=O)C(N)=O)[C@H]1C[N@@H+](CCC(F)(F)F)C[C@@H]1O ZINC001047510101 782486929 /nfs/dbraw/zinc/48/69/29/782486929.db2.gz BYEMOILIAKOXJJ-BQBZGAKWSA-N 1 2 283.250 -1.072 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2cnoc2)C1 ZINC001047499065 782482101 /nfs/dbraw/zinc/48/21/01/782482101.db2.gz WBVGSZIEXSEAJP-LSJOCFKGSA-N 1 2 296.327 -1.406 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2cnoc2)C1 ZINC001047499065 782482105 /nfs/dbraw/zinc/48/21/05/782482105.db2.gz WBVGSZIEXSEAJP-LSJOCFKGSA-N 1 2 296.327 -1.406 20 0 CAADLO CN(C(=O)C(N)=O)[C@H]1C[N@H+](Cc2cccnc2)C[C@@H]1O ZINC001047507507 782487238 /nfs/dbraw/zinc/48/72/38/782487238.db2.gz ZDZLJLVXBRZKSG-QWRGUYRKSA-N 1 2 278.312 -1.430 20 0 CAADLO CN(C(=O)C(N)=O)[C@H]1C[N@@H+](Cc2cccnc2)C[C@@H]1O ZINC001047507507 782487245 /nfs/dbraw/zinc/48/72/45/782487245.db2.gz ZDZLJLVXBRZKSG-QWRGUYRKSA-N 1 2 278.312 -1.430 20 0 CAADLO CNC(=O)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001047492741 782482825 /nfs/dbraw/zinc/48/28/25/782482825.db2.gz XMDKVWBMMGCWFY-VGDATSSVSA-N 1 2 297.355 -1.872 20 0 CAADLO CNC(=O)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001047492741 782482830 /nfs/dbraw/zinc/48/28/30/782482830.db2.gz XMDKVWBMMGCWFY-VGDATSSVSA-N 1 2 297.355 -1.872 20 0 CAADLO CN(C(=O)[C@]1(C)CCNC1=O)[C@H]1C[N@H+](CCF)C[C@@H]1O ZINC001047526768 782489401 /nfs/dbraw/zinc/48/94/01/782489401.db2.gz RZAMJMVCHRLHEY-OUJBWJOFSA-N 1 2 287.335 -1.014 20 0 CAADLO CN(C(=O)[C@]1(C)CCNC1=O)[C@H]1C[N@@H+](CCF)C[C@@H]1O ZINC001047526768 782489406 /nfs/dbraw/zinc/48/94/06/782489406.db2.gz RZAMJMVCHRLHEY-OUJBWJOFSA-N 1 2 287.335 -1.014 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[C@H]2CCOC2)C1 ZINC001047514495 782489516 /nfs/dbraw/zinc/48/95/16/782489516.db2.gz IITVPFUPQPRLRT-WYUUTHIRSA-N 1 2 299.371 -1.210 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[C@H]2CCOC2)C1 ZINC001047514495 782489521 /nfs/dbraw/zinc/48/95/21/782489521.db2.gz IITVPFUPQPRLRT-WYUUTHIRSA-N 1 2 299.371 -1.210 20 0 CAADLO CNC(=O)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001047529803 782489621 /nfs/dbraw/zinc/48/96/21/782489621.db2.gz PDLIIZZAOXENGY-KATARQTJSA-N 1 2 298.343 -2.643 20 0 CAADLO CNC(=O)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001047529803 782489626 /nfs/dbraw/zinc/48/96/26/782489626.db2.gz PDLIIZZAOXENGY-KATARQTJSA-N 1 2 298.343 -2.643 20 0 CAADLO CN(C(=O)C(N)=O)[C@H]1C[N@@H+]([C@@H]2CCN(C)C2=O)C[C@@H]1O ZINC001047511193 782490098 /nfs/dbraw/zinc/49/00/98/782490098.db2.gz QACDLASNJTXDCY-VGMNWLOBSA-N 1 2 284.316 -2.794 20 0 CAADLO CN(C(=O)C(N)=O)[C@H]1C[N@H+]([C@@H]2CCN(C)C2=O)C[C@@H]1O ZINC001047511193 782490103 /nfs/dbraw/zinc/49/01/03/782490103.db2.gz QACDLASNJTXDCY-VGMNWLOBSA-N 1 2 284.316 -2.794 20 0 CAADLO CN(C(=O)[C@@]1(C)CCNC1=O)[C@H]1C[N@H+](CCF)C[C@@H]1O ZINC001047526767 782490124 /nfs/dbraw/zinc/49/01/24/782490124.db2.gz RZAMJMVCHRLHEY-KWBADKCTSA-N 1 2 287.335 -1.014 20 0 CAADLO CN(C(=O)[C@@]1(C)CCNC1=O)[C@H]1C[N@@H+](CCF)C[C@@H]1O ZINC001047526767 782490130 /nfs/dbraw/zinc/49/01/30/782490130.db2.gz RZAMJMVCHRLHEY-KWBADKCTSA-N 1 2 287.335 -1.014 20 0 CAADLO CC[C@H](C(N)=O)[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnon2)C1 ZINC001047573412 782494973 /nfs/dbraw/zinc/49/49/73/782494973.db2.gz JJWJYRNBDXQWPS-UTLUCORTSA-N 1 2 297.315 -1.549 20 0 CAADLO COC[C@H](C)[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2ncn[nH]2)C1 ZINC001047592946 782497503 /nfs/dbraw/zinc/49/75/03/782497503.db2.gz MSNKENNGTOIEQT-DCAQKATOSA-N 1 2 297.359 -1.114 20 0 CAADLO COC[C@H](C)[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2ncn[nH]2)C1 ZINC001047592946 782497509 /nfs/dbraw/zinc/49/75/09/782497509.db2.gz MSNKENNGTOIEQT-DCAQKATOSA-N 1 2 297.359 -1.114 20 0 CAADLO CN(C(=O)[C@@H]1CCOC1)[C@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@@H]1O ZINC001047585147 782496677 /nfs/dbraw/zinc/49/66/77/782496677.db2.gz MNVOVQGZUMJNNK-RHYQMDGZSA-N 1 2 297.355 -1.585 20 0 CAADLO CN(C(=O)[C@@H]1CCOC1)[C@H]1C[N@H+]([C@H]2CCNC2=O)C[C@@H]1O ZINC001047585147 782496686 /nfs/dbraw/zinc/49/66/86/782496686.db2.gz MNVOVQGZUMJNNK-RHYQMDGZSA-N 1 2 297.355 -1.585 20 0 CAADLO CN(C(=O)Cc1ncn[nH]1)[C@H]1C[N@H+](CCCO)C[C@@H]1O ZINC001047593092 782497598 /nfs/dbraw/zinc/49/75/98/782497598.db2.gz RDQHOXMZAIQPHP-UWVGGRQHSA-N 1 2 283.332 -1.767 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCC(=O)N2)C1 ZINC001047603282 782497351 /nfs/dbraw/zinc/49/73/51/782497351.db2.gz GFCGAUDWBXXNQQ-XKNYDFJKSA-N 1 2 298.343 -2.358 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCC(=O)N2)C1 ZINC001047603282 782497358 /nfs/dbraw/zinc/49/73/58/782497358.db2.gz GFCGAUDWBXXNQQ-XKNYDFJKSA-N 1 2 298.343 -2.358 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCOC2)C1 ZINC001047585831 782497372 /nfs/dbraw/zinc/49/73/72/782497372.db2.gz SNZHIHQCAVFBCM-WYUUTHIRSA-N 1 2 299.371 -1.339 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCOC2)C1 ZINC001047585831 782497377 /nfs/dbraw/zinc/49/73/77/782497377.db2.gz SNZHIHQCAVFBCM-WYUUTHIRSA-N 1 2 299.371 -1.339 20 0 CAADLO CN(C(=O)Cc1ncn[nH]1)[C@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001047593092 782497600 /nfs/dbraw/zinc/49/76/00/782497600.db2.gz RDQHOXMZAIQPHP-UWVGGRQHSA-N 1 2 283.332 -1.767 20 0 CAADLO CN(C(=O)Cc1c[nH+]c[nH]1)[C@H]1CN(CC(N)=O)C[C@@H]1O ZINC001047545300 782492790 /nfs/dbraw/zinc/49/27/90/782492790.db2.gz PLSZHDAWWCZHFL-UWVGGRQHSA-N 1 2 281.316 -2.059 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2ncc[nH]2)C1 ZINC001047579498 782493477 /nfs/dbraw/zinc/49/34/77/782493477.db2.gz RGCWOINXAVAELR-GUBZILKMSA-N 1 2 295.343 -1.671 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2ncc[nH]2)C1 ZINC001047579498 782493481 /nfs/dbraw/zinc/49/34/81/782493481.db2.gz RGCWOINXAVAELR-GUBZILKMSA-N 1 2 295.343 -1.671 20 0 CAADLO CC[C@H](C(N)=O)[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnon2)C1 ZINC001047573412 782494967 /nfs/dbraw/zinc/49/49/67/782494967.db2.gz JJWJYRNBDXQWPS-UTLUCORTSA-N 1 2 297.315 -1.549 20 0 CAADLO CO[C@H](C)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2ncn[nH]2)C1 ZINC001047589163 782497962 /nfs/dbraw/zinc/49/79/62/782497962.db2.gz CHHQKQMAENBFKC-VWYCJHECSA-N 1 2 297.359 -1.114 20 0 CAADLO CO[C@H](C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2ncn[nH]2)C1 ZINC001047589163 782497966 /nfs/dbraw/zinc/49/79/66/782497966.db2.gz CHHQKQMAENBFKC-VWYCJHECSA-N 1 2 297.359 -1.114 20 0 CAADLO COC[C@@H](C)[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2ncn[nH]2)C1 ZINC001047592947 782498007 /nfs/dbraw/zinc/49/80/07/782498007.db2.gz MSNKENNGTOIEQT-VWYCJHECSA-N 1 2 297.359 -1.114 20 0 CAADLO COC[C@@H](C)[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2ncn[nH]2)C1 ZINC001047592947 782498014 /nfs/dbraw/zinc/49/80/14/782498014.db2.gz MSNKENNGTOIEQT-VWYCJHECSA-N 1 2 297.359 -1.114 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCOC2)C1 ZINC001047585830 782498048 /nfs/dbraw/zinc/49/80/48/782498048.db2.gz SNZHIHQCAVFBCM-USZNOCQGSA-N 1 2 299.371 -1.339 20 0 CAADLO CNC(=O)[C@H](C)[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCOC2)C1 ZINC001047585830 782498049 /nfs/dbraw/zinc/49/80/49/782498049.db2.gz SNZHIHQCAVFBCM-USZNOCQGSA-N 1 2 299.371 -1.339 20 0 CAADLO CN(C(=O)Cc1ccc[nH]1)[C@H]1C[N@H+](CC(N)=O)C[C@@H]1O ZINC001047636566 782498993 /nfs/dbraw/zinc/49/89/93/782498993.db2.gz JTMGOBYMSVWSFT-QWRGUYRKSA-N 1 2 280.328 -1.454 20 0 CAADLO CN(C(=O)Cc1ccc[nH]1)[C@H]1C[N@@H+](CC(N)=O)C[C@@H]1O ZINC001047636566 782498996 /nfs/dbraw/zinc/49/89/96/782498996.db2.gz JTMGOBYMSVWSFT-QWRGUYRKSA-N 1 2 280.328 -1.454 20 0 CAADLO CO[C@@H](C)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2ncn[nH]2)C1 ZINC001047589162 782497914 /nfs/dbraw/zinc/49/79/14/782497914.db2.gz CHHQKQMAENBFKC-DCAQKATOSA-N 1 2 297.359 -1.114 20 0 CAADLO CO[C@@H](C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2ncn[nH]2)C1 ZINC001047589162 782497919 /nfs/dbraw/zinc/49/79/19/782497919.db2.gz CHHQKQMAENBFKC-DCAQKATOSA-N 1 2 297.359 -1.114 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2cncn2)C1 ZINC001047620931 782501280 /nfs/dbraw/zinc/50/12/80/782501280.db2.gz XYJXQCNOXLDHFS-GUBZILKMSA-N 1 2 296.331 -2.345 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2cncn2)C1 ZINC001047620931 782501284 /nfs/dbraw/zinc/50/12/84/782501284.db2.gz XYJXQCNOXLDHFS-GUBZILKMSA-N 1 2 296.331 -2.345 20 0 CAADLO CN(C(=O)C[NH+]1CCCC1)[C@H]1C[N@H+](CCO)C[C@@H]1O ZINC001047627508 782499351 /nfs/dbraw/zinc/49/93/51/782499351.db2.gz RDPQFBVEROCZMI-RYUDHWBXSA-N 1 2 271.361 -1.422 20 0 CAADLO CN(C(=O)C[NH+]1CCCC1)[C@H]1CN(CCO)C[C@@H]1O ZINC001047627508 782499372 /nfs/dbraw/zinc/49/93/72/782499372.db2.gz RDPQFBVEROCZMI-RYUDHWBXSA-N 1 2 271.361 -1.422 20 0 CAADLO COCC(=O)N(C)[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1O ZINC001048046005 782505668 /nfs/dbraw/zinc/50/56/68/782505668.db2.gz UCUHPHMLXVRHBA-QWRGUYRKSA-N 1 2 296.327 -1.371 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1nc[nH]n1)C2 ZINC001096308430 782507265 /nfs/dbraw/zinc/50/72/65/782507265.db2.gz JTULABYKBUXOLC-JXUBOQSCSA-N 1 2 292.343 -1.058 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1nc[nH]n1)C2 ZINC001096308430 782507271 /nfs/dbraw/zinc/50/72/71/782507271.db2.gz JTULABYKBUXOLC-JXUBOQSCSA-N 1 2 292.343 -1.058 20 0 CAADLO Cn1ncnc1C[N@H+]1C[C@H]2CN(C(=O)CC(N)=O)C[C@H]2C1 ZINC001048734736 782515672 /nfs/dbraw/zinc/51/56/72/782515672.db2.gz WMWHPBZWJGSIPN-AOOOYVTPSA-N 1 2 292.343 -1.419 20 0 CAADLO Cn1ncnc1C[N@@H+]1C[C@H]2CN(C(=O)CC(N)=O)C[C@H]2C1 ZINC001048734736 782515719 /nfs/dbraw/zinc/51/57/19/782515719.db2.gz WMWHPBZWJGSIPN-AOOOYVTPSA-N 1 2 292.343 -1.419 20 0 CAADLO CN1CC(C(=O)N2C[C@@H]3C[N@@H+](CC(N)=O)C[C@@H]3C2)=NC1=O ZINC001049028611 782527089 /nfs/dbraw/zinc/52/70/89/782527089.db2.gz GEDCUNZBMGSIJU-DTORHVGOSA-N 1 2 293.327 -1.385 20 0 CAADLO CN1CC(C(=O)N2C[C@@H]3C[N@H+](CC(N)=O)C[C@@H]3C2)=NC1=O ZINC001049028611 782527098 /nfs/dbraw/zinc/52/70/98/782527098.db2.gz GEDCUNZBMGSIJU-DTORHVGOSA-N 1 2 293.327 -1.385 20 0 CAADLO O=C(N[C@H]1CCC[N@@H+](CCO)C1)[C@H]1CCS(=O)(=O)C1 ZINC000384374110 782528773 /nfs/dbraw/zinc/52/87/73/782528773.db2.gz JGIPLFISQNZPCL-QWRGUYRKSA-N 1 2 290.385 -1.006 20 0 CAADLO O=C(N[C@H]1CCC[N@H+](CCO)C1)[C@H]1CCS(=O)(=O)C1 ZINC000384374110 782528779 /nfs/dbraw/zinc/52/87/79/782528779.db2.gz JGIPLFISQNZPCL-QWRGUYRKSA-N 1 2 290.385 -1.006 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1C[C@H]2CN(C(=O)Cc3ncn[nH]3)C[C@H]2C1 ZINC001049160625 782529823 /nfs/dbraw/zinc/52/98/23/782529823.db2.gz DKEBGSNGJKBLRR-LPEHRKFASA-N 1 2 292.343 -1.389 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1C[C@H]2CN(C(=O)Cc3ncn[nH]3)C[C@H]2C1 ZINC001049160625 782529831 /nfs/dbraw/zinc/52/98/31/782529831.db2.gz DKEBGSNGJKBLRR-LPEHRKFASA-N 1 2 292.343 -1.389 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1C[C@H]2CN(C(=O)Cc3ncn[nH]3)C[C@H]2C1 ZINC001049160624 782530534 /nfs/dbraw/zinc/53/05/34/782530534.db2.gz DKEBGSNGJKBLRR-BBBLOLIVSA-N 1 2 292.343 -1.389 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1C[C@H]2CN(C(=O)Cc3ncn[nH]3)C[C@H]2C1 ZINC001049160624 782530540 /nfs/dbraw/zinc/53/05/40/782530540.db2.gz DKEBGSNGJKBLRR-BBBLOLIVSA-N 1 2 292.343 -1.389 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1cn[nH]n1 ZINC001049570801 782535681 /nfs/dbraw/zinc/53/56/81/782535681.db2.gz PRQRVJTYWGRZRU-ZJUUUORDSA-N 1 2 278.316 -1.031 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1cn[nH]n1 ZINC001049570801 782535683 /nfs/dbraw/zinc/53/56/83/782535683.db2.gz PRQRVJTYWGRZRU-ZJUUUORDSA-N 1 2 278.316 -1.031 20 0 CAADLO Cn1nnc(C(=O)N2CCC[C@@H]3[C@@H]2CC[N@@H+]3CC(N)=O)n1 ZINC001049652160 782537176 /nfs/dbraw/zinc/53/71/76/782537176.db2.gz RGHOIBAAOINMKZ-BDAKNGLRSA-N 1 2 293.331 -1.626 20 0 CAADLO Cn1nnc(C(=O)N2CCC[C@@H]3[C@@H]2CC[N@H+]3CC(N)=O)n1 ZINC001049652160 782537182 /nfs/dbraw/zinc/53/71/82/782537182.db2.gz RGHOIBAAOINMKZ-BDAKNGLRSA-N 1 2 293.331 -1.626 20 0 CAADLO Cn1nncc1C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C(N)=O ZINC001049692998 782539713 /nfs/dbraw/zinc/53/97/13/782539713.db2.gz WBKHRJOOFZSQHA-QWRGUYRKSA-N 1 2 292.343 -1.134 20 0 CAADLO Cn1nncc1C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C(N)=O ZINC001049692998 782539717 /nfs/dbraw/zinc/53/97/17/782539717.db2.gz WBKHRJOOFZSQHA-QWRGUYRKSA-N 1 2 292.343 -1.134 20 0 CAADLO CNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1cnnn1)C2 ZINC001096778781 782543142 /nfs/dbraw/zinc/54/31/42/782543142.db2.gz NZYZICRPOLZTBY-BBBLOLIVSA-N 1 2 293.331 -1.859 20 0 CAADLO CNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1cnnn1)C2 ZINC001096778781 782543148 /nfs/dbraw/zinc/54/31/48/782543148.db2.gz NZYZICRPOLZTBY-BBBLOLIVSA-N 1 2 293.331 -1.859 20 0 CAADLO NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CN1CCOCC1)C2 ZINC001096968653 782543399 /nfs/dbraw/zinc/54/33/99/782543399.db2.gz QYJPWWLETUYPMI-UTUOFQBUSA-N 1 2 296.371 -1.475 20 0 CAADLO NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CN1CCOCC1)C2 ZINC001096968653 782543412 /nfs/dbraw/zinc/54/34/12/782543412.db2.gz QYJPWWLETUYPMI-UTUOFQBUSA-N 1 2 296.371 -1.475 20 0 CAADLO NC(=O)C(=O)N1CC2(C1)CC[NH+](Cc1cnon1)CC2 ZINC001050643522 782544418 /nfs/dbraw/zinc/54/44/18/782544418.db2.gz ZSLAHTLNOCPYBN-UHFFFAOYSA-N 1 2 279.300 -1.021 20 0 CAADLO CNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cn(C)nn1)C2 ZINC001097030569 782544780 /nfs/dbraw/zinc/54/47/80/782544780.db2.gz PEKPJWJLXVBQJD-KKZNHRDASA-N 1 2 292.343 -1.104 20 0 CAADLO CNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cn(C)nn1)C2 ZINC001097030569 782544788 /nfs/dbraw/zinc/54/47/88/782544788.db2.gz PEKPJWJLXVBQJD-KKZNHRDASA-N 1 2 292.343 -1.104 20 0 CAADLO CN1C[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(N)=O)CC1=O ZINC001097172812 782545116 /nfs/dbraw/zinc/54/51/16/782545116.db2.gz KUZJLXJEGIICMB-DBIOUOCHSA-N 1 2 294.355 -1.329 20 0 CAADLO CN1C[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(N)=O)CC1=O ZINC001097172812 782545121 /nfs/dbraw/zinc/54/51/21/782545121.db2.gz KUZJLXJEGIICMB-DBIOUOCHSA-N 1 2 294.355 -1.329 20 0 CAADLO NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1nccn1)C2 ZINC001097147085 782545001 /nfs/dbraw/zinc/54/50/01/782545001.db2.gz LAYSJGQPKJPTJV-BBBLOLIVSA-N 1 2 278.316 -1.515 20 0 CAADLO NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1nccn1)C2 ZINC001097147085 782545003 /nfs/dbraw/zinc/54/50/03/782545003.db2.gz LAYSJGQPKJPTJV-BBBLOLIVSA-N 1 2 278.316 -1.515 20 0 CAADLO CNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnnn1C)C2 ZINC001097025050 782545354 /nfs/dbraw/zinc/54/53/54/782545354.db2.gz YOWZVDLHMBPMJJ-BBBLOLIVSA-N 1 2 292.343 -1.104 20 0 CAADLO Cc1nnc(CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(N)=O)[nH]1 ZINC001097044834 782545275 /nfs/dbraw/zinc/54/52/75/782545275.db2.gz HFRXCTINWIKUAH-BBBLOLIVSA-N 1 2 292.343 -1.138 20 0 CAADLO Cc1nnc(CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(N)=O)[nH]1 ZINC001097044834 782545284 /nfs/dbraw/zinc/54/52/84/782545284.db2.gz HFRXCTINWIKUAH-BBBLOLIVSA-N 1 2 292.343 -1.138 20 0 CAADLO CNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnnn1C)C2 ZINC001097025050 782545361 /nfs/dbraw/zinc/54/53/61/782545361.db2.gz YOWZVDLHMBPMJJ-BBBLOLIVSA-N 1 2 292.343 -1.104 20 0 CAADLO CC(=O)N1CC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(N)=O)C1 ZINC001097010500 782545594 /nfs/dbraw/zinc/54/55/94/782545594.db2.gz YBBRVPFTQMLEQQ-UTUOFQBUSA-N 1 2 294.355 -1.329 20 0 CAADLO CC(=O)N1CC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(N)=O)C1 ZINC001097010500 782545603 /nfs/dbraw/zinc/54/56/03/782545603.db2.gz YBBRVPFTQMLEQQ-UTUOFQBUSA-N 1 2 294.355 -1.329 20 0 CAADLO CNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1ncnn1)C2 ZINC001097077943 782545819 /nfs/dbraw/zinc/54/58/19/782545819.db2.gz LGYKLPCWVUHDCO-BBBLOLIVSA-N 1 2 293.331 -1.859 20 0 CAADLO CN1C[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(N)=O)CC1=O ZINC001097172814 782545783 /nfs/dbraw/zinc/54/57/83/782545783.db2.gz KUZJLXJEGIICMB-ZDCRXTMVSA-N 1 2 294.355 -1.329 20 0 CAADLO CN1C[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(N)=O)CC1=O ZINC001097172814 782545790 /nfs/dbraw/zinc/54/57/90/782545790.db2.gz KUZJLXJEGIICMB-ZDCRXTMVSA-N 1 2 294.355 -1.329 20 0 CAADLO CNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1ncnn1)C2 ZINC001097077943 782545812 /nfs/dbraw/zinc/54/58/12/782545812.db2.gz LGYKLPCWVUHDCO-BBBLOLIVSA-N 1 2 293.331 -1.859 20 0 CAADLO C[C@]1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(N)=O)CNC(=O)C1 ZINC001097574368 782546987 /nfs/dbraw/zinc/54/69/87/782546987.db2.gz BHUGJDYBMZPPSA-DLVJRCHESA-N 1 2 294.355 -1.281 20 0 CAADLO C[C@]1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(N)=O)CNC(=O)C1 ZINC001097574368 782546993 /nfs/dbraw/zinc/54/69/93/782546993.db2.gz BHUGJDYBMZPPSA-DLVJRCHESA-N 1 2 294.355 -1.281 20 0 CAADLO CN1C[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(N)=O)NC1=O ZINC001097649499 782547180 /nfs/dbraw/zinc/54/71/80/782547180.db2.gz PANPUNXBUXIBQY-IMSYWVGJSA-N 1 2 295.343 -1.783 20 0 CAADLO CN1C[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(N)=O)NC1=O ZINC001097649499 782547189 /nfs/dbraw/zinc/54/71/89/782547189.db2.gz PANPUNXBUXIBQY-IMSYWVGJSA-N 1 2 295.343 -1.783 20 0 CAADLO CN1C(=O)CC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(N)=O ZINC001097662336 782548192 /nfs/dbraw/zinc/54/81/92/782548192.db2.gz CXHYRQBBNGZAPY-ZNSHCXBVSA-N 1 2 294.355 -1.186 20 0 CAADLO CN1C(=O)CC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(N)=O ZINC001097662336 782548202 /nfs/dbraw/zinc/54/82/02/782548202.db2.gz CXHYRQBBNGZAPY-ZNSHCXBVSA-N 1 2 294.355 -1.186 20 0 CAADLO NC(=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H]1CCNC1=O ZINC001097764259 782549569 /nfs/dbraw/zinc/54/95/69/782549569.db2.gz FVWANTZOHNJIDA-HXFLIBJXSA-N 1 2 266.301 -1.918 20 0 CAADLO NC(=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H]1CCNC1=O ZINC001097764259 782549556 /nfs/dbraw/zinc/54/95/56/782549556.db2.gz FVWANTZOHNJIDA-HXFLIBJXSA-N 1 2 266.301 -1.918 20 0 CAADLO CNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CNC(=O)N1)C2 ZINC001097753926 782549767 /nfs/dbraw/zinc/54/97/67/782549767.db2.gz NXBOFCIDNCFOED-KYXWUPHJSA-N 1 2 295.343 -1.865 20 0 CAADLO CNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CNC(=O)N1)C2 ZINC001097753926 782549777 /nfs/dbraw/zinc/54/97/77/782549777.db2.gz NXBOFCIDNCFOED-KYXWUPHJSA-N 1 2 295.343 -1.865 20 0 CAADLO CC[C@H](C(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(N)=O)C2 ZINC001097767326 782550763 /nfs/dbraw/zinc/55/07/63/782550763.db2.gz AMTGYLQPDYPJMI-BGZDPUMWSA-N 1 2 268.317 -1.543 20 0 CAADLO CC[C@H](C(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(N)=O)C2 ZINC001097767326 782550770 /nfs/dbraw/zinc/55/07/70/782550770.db2.gz AMTGYLQPDYPJMI-BGZDPUMWSA-N 1 2 268.317 -1.543 20 0 CAADLO C[C@@]1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(N)=O)CCC(=O)N1 ZINC001097795814 782551275 /nfs/dbraw/zinc/55/12/75/782551275.db2.gz UYASPDPRJOBSRW-RBQUTUCGSA-N 1 2 294.355 -1.138 20 0 CAADLO C[C@@]1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(N)=O)CCC(=O)N1 ZINC001097795814 782551281 /nfs/dbraw/zinc/55/12/81/782551281.db2.gz UYASPDPRJOBSRW-RBQUTUCGSA-N 1 2 294.355 -1.138 20 0 CAADLO C[C@]1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(N)=O)CCNC1=O ZINC001097837452 782551550 /nfs/dbraw/zinc/55/15/50/782551550.db2.gz LHKAINABLIJSDF-RBQUTUCGSA-N 1 2 294.355 -1.281 20 0 CAADLO C[C@]1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(N)=O)CCNC1=O ZINC001097837452 782551558 /nfs/dbraw/zinc/55/15/58/782551558.db2.gz LHKAINABLIJSDF-RBQUTUCGSA-N 1 2 294.355 -1.281 20 0 CAADLO C[C@H](C(=O)N(C)C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(N)=O)C2 ZINC001097767252 782551506 /nfs/dbraw/zinc/55/15/06/782551506.db2.gz ZVPWTNBRAUTLFK-KYXWUPHJSA-N 1 2 282.344 -1.330 20 0 CAADLO C[C@H](C(=O)N(C)C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(N)=O)C2 ZINC001097767252 782551515 /nfs/dbraw/zinc/55/15/15/782551515.db2.gz ZVPWTNBRAUTLFK-KYXWUPHJSA-N 1 2 282.344 -1.330 20 0 CAADLO Cn1[nH]c(C[N@@H+]2CCC[C@@H](NC(=O)C(N)=O)CC2)nc1=O ZINC001052672282 782551622 /nfs/dbraw/zinc/55/16/22/782551622.db2.gz OIAQSXJKMZIULA-MRVPVSSYSA-N 1 2 296.331 -1.936 20 0 CAADLO Cn1[nH]c(C[N@H+]2CCC[C@@H](NC(=O)C(N)=O)CC2)nc1=O ZINC001052672282 782551629 /nfs/dbraw/zinc/55/16/29/782551629.db2.gz OIAQSXJKMZIULA-MRVPVSSYSA-N 1 2 296.331 -1.936 20 0 CAADLO C[C@H](C(=O)NC1CC1)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(N)=O)C2 ZINC001097767859 782552621 /nfs/dbraw/zinc/55/26/21/782552621.db2.gz OQPPKNPBXQXWQH-WKJUBOCMSA-N 1 2 294.355 -1.140 20 0 CAADLO C[C@H](C(=O)NC1CC1)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(N)=O)C2 ZINC001097767859 782552630 /nfs/dbraw/zinc/55/26/30/782552630.db2.gz OQPPKNPBXQXWQH-WKJUBOCMSA-N 1 2 294.355 -1.140 20 0 CAADLO Cn1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(N)=O)[nH]c1=O ZINC001097787186 782552560 /nfs/dbraw/zinc/55/25/60/782552560.db2.gz UMHFYQLRHVWVAL-MRTMQBJTSA-N 1 2 293.327 -1.054 20 0 CAADLO Cn1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(N)=O)[nH]c1=O ZINC001097787186 782552571 /nfs/dbraw/zinc/55/25/71/782552571.db2.gz UMHFYQLRHVWVAL-MRTMQBJTSA-N 1 2 293.327 -1.054 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(N)=O)C2 ZINC001097765506 782552922 /nfs/dbraw/zinc/55/29/22/782552922.db2.gz ZTELYZNROWCZCT-XUTVFYLZSA-N 1 2 254.290 -1.933 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(N)=O)C2 ZINC001097765506 782552927 /nfs/dbraw/zinc/55/29/27/782552927.db2.gz ZTELYZNROWCZCT-XUTVFYLZSA-N 1 2 254.290 -1.933 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@@H](NC(=O)c2ncn[nH]2)CC1 ZINC001052801390 782553880 /nfs/dbraw/zinc/55/38/80/782553880.db2.gz STRIXZOYAUNBLP-MRVPVSSYSA-N 1 2 266.305 -1.126 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@@H](NC(=O)c2ncn[nH]2)CC1 ZINC001052801390 782553892 /nfs/dbraw/zinc/55/38/92/782553892.db2.gz STRIXZOYAUNBLP-MRVPVSSYSA-N 1 2 266.305 -1.126 20 0 CAADLO C[C@H](c1nnnn1C)[N@@H+]1CCC[C@H](NC(=O)C(N)=O)CC1 ZINC001052673766 782555303 /nfs/dbraw/zinc/55/53/03/782555303.db2.gz CNRLGMBHMSRBTG-BDAKNGLRSA-N 1 2 295.347 -1.273 20 0 CAADLO C[C@H](c1nnnn1C)[N@H+]1CCC[C@H](NC(=O)C(N)=O)CC1 ZINC001052673766 782555310 /nfs/dbraw/zinc/55/53/10/782555310.db2.gz CNRLGMBHMSRBTG-BDAKNGLRSA-N 1 2 295.347 -1.273 20 0 CAADLO C[C@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1CNC(=O)C(N)=O ZINC001052867443 782555386 /nfs/dbraw/zinc/55/53/86/782555386.db2.gz NKNPYECPOMWYBZ-VHSXEESVSA-N 1 2 293.327 -1.421 20 0 CAADLO CC[NH+]1CC2(C1)CN(C(=O)CN1CCOCC1=O)CCO2 ZINC001053288457 782563564 /nfs/dbraw/zinc/56/35/64/782563564.db2.gz KTUFLEGVAJITPB-UHFFFAOYSA-N 1 2 297.355 -1.222 20 0 CAADLO C[C@H]1CN(C(=O)C(N)=O)C[C@@H]1CNC(=O)Cc1[nH]cc[nH+]1 ZINC001053300754 782563739 /nfs/dbraw/zinc/56/37/39/782563739.db2.gz RUWVQIJKSLKSBH-IUCAKERBSA-N 1 2 293.327 -1.352 20 0 CAADLO C[C@H]1CN(C(=O)C(N)=O)C[C@H]1CNC(=O)Cc1[nH]cc[nH+]1 ZINC001053300753 782563916 /nfs/dbraw/zinc/56/39/16/782563916.db2.gz RUWVQIJKSLKSBH-DTWKUNHWSA-N 1 2 293.327 -1.352 20 0 CAADLO C[C@@H]1CN(C(=O)C(N)=O)C[C@H]1CNC(=O)Cc1[nH]cc[nH+]1 ZINC001053300755 782564220 /nfs/dbraw/zinc/56/42/20/782564220.db2.gz RUWVQIJKSLKSBH-RKDXNWHRSA-N 1 2 293.327 -1.352 20 0 CAADLO C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1CNC(=O)C(N)=O ZINC001053267637 782564292 /nfs/dbraw/zinc/56/42/92/782564292.db2.gz LKUXGZZQYKRNJS-BDAKNGLRSA-N 1 2 293.327 -1.352 20 0 CAADLO C[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1CNC(=O)C(N)=O ZINC001053267638 782564380 /nfs/dbraw/zinc/56/43/80/782564380.db2.gz LKUXGZZQYKRNJS-DTWKUNHWSA-N 1 2 293.327 -1.352 20 0 CAADLO C[C@H]1CN(C(=O)C(N)=O)C[C@H]1CNC(=O)Cc1c[nH]c[nH+]1 ZINC001053311309 782565215 /nfs/dbraw/zinc/56/52/15/782565215.db2.gz CSIMTSUAUJTYKN-DTWKUNHWSA-N 1 2 293.327 -1.352 20 0 CAADLO C[C@H]1CN(C(=O)C(N)=O)C[C@@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001053317839 782565344 /nfs/dbraw/zinc/56/53/44/782565344.db2.gz RAMZSNUINGBJAW-UWVGGRQHSA-N 1 2 293.327 -1.421 20 0 CAADLO C[C@@H]1CN(C(=O)C(N)=O)C[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001053317838 782565618 /nfs/dbraw/zinc/56/56/18/782565618.db2.gz RAMZSNUINGBJAW-NXEZZACHSA-N 1 2 293.327 -1.421 20 0 CAADLO CC[NH+]1CC2(C1)CN(C(=O)CN1CCNC(=O)C1)CCO2 ZINC001053370281 782566225 /nfs/dbraw/zinc/56/62/25/782566225.db2.gz AOBAMJVPMBGZJE-UHFFFAOYSA-N 1 2 296.371 -1.649 20 0 CAADLO CC[NH+]1CC2(C1)CN(C(=O)[C@H]1CN(C)C(=O)N1)CCO2 ZINC001053374891 782566769 /nfs/dbraw/zinc/56/67/69/782566769.db2.gz QWRUKNBENAYOCZ-SNVBAGLBSA-N 1 2 282.344 -1.057 20 0 CAADLO CC[NH+]1CC2(C1)CN(C(=O)Cn1ncn(C)c1=O)CCO2 ZINC001053321157 782566968 /nfs/dbraw/zinc/56/69/68/782566968.db2.gz XTVKOWVSRCERDE-UHFFFAOYSA-N 1 2 295.343 -1.485 20 0 CAADLO CCC[NH+]1CC2(C1)CN(C(=O)[C@@H]1CNC(=O)N1)CCO2 ZINC001053402272 782567997 /nfs/dbraw/zinc/56/79/97/782567997.db2.gz JJCIYELUDQRGDD-JTQLQIEISA-N 1 2 282.344 -1.009 20 0 CAADLO COC[C@H](C)[NH+]1CC2(C1)CN(C(=O)C(N)=O)CCO2 ZINC001053403876 782568629 /nfs/dbraw/zinc/56/86/29/782568629.db2.gz VQUAHUIBKCYDOX-VIFPVBQESA-N 1 2 271.317 -1.580 20 0 CAADLO CC[NH+]1CC2(C1)CN(C(=O)[C@@H]1CNC(=O)N1)CCO2 ZINC001053402239 782568559 /nfs/dbraw/zinc/56/85/59/782568559.db2.gz IJQBAVRACCNERT-VIFPVBQESA-N 1 2 268.317 -1.399 20 0 CAADLO CC[NH+]1CC2(C1)CN(C(=O)CCn1cnnn1)CCO2 ZINC001053483521 782570429 /nfs/dbraw/zinc/57/04/29/782570429.db2.gz RSKDKLLJSSSDLF-UHFFFAOYSA-N 1 2 280.332 -1.004 20 0 CAADLO CO[C@H](C)C[NH+]1CC2(C1)CN(C(=O)C(N)=O)CCO2 ZINC001053404631 782570598 /nfs/dbraw/zinc/57/05/98/782570598.db2.gz OWTZIIBTLKVXNS-SECBINFHSA-N 1 2 271.317 -1.580 20 0 CAADLO CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2CS(=O)(=O)C2)C1 ZINC001077054945 775789256 /nfs/dbraw/zinc/78/92/56/775789256.db2.gz AURNYUQUYHHWMG-RKDXNWHRSA-N 1 2 262.331 -1.788 20 0 CAADLO CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C2CS(=O)(=O)C2)C1 ZINC001077054945 775789264 /nfs/dbraw/zinc/78/92/64/775789264.db2.gz AURNYUQUYHHWMG-RKDXNWHRSA-N 1 2 262.331 -1.788 20 0 CAADLO CC(C)(C)n1cc(C[NH2+]CCNC(=O)C(N)=O)nn1 ZINC001133195673 776769618 /nfs/dbraw/zinc/76/96/18/776769618.db2.gz HZRKUNRNFDFYQF-UHFFFAOYSA-N 1 2 268.321 -1.276 20 0 CAADLO NC(=O)C(=O)NCC[NH2+]Cc1nnc2n1CCCCC2 ZINC001133196336 776770153 /nfs/dbraw/zinc/77/01/53/776770153.db2.gz MYXBAOCXDHHBQN-UHFFFAOYSA-N 1 2 280.332 -1.304 20 0 CAADLO O=C(Cc1[nH]cc[nH+]1)N1CCOC2(CN(CCO)C2)C1 ZINC001053487850 782571982 /nfs/dbraw/zinc/57/19/82/782571982.db2.gz JWKSDZPCKDKOQN-UHFFFAOYSA-N 1 2 280.328 -1.142 20 0 CAADLO NC(=O)C(=O)NCC[NH2+][C@H](C(N)=O)c1ccc(F)cc1 ZINC001133193513 776770276 /nfs/dbraw/zinc/77/02/76/776770276.db2.gz SUEARIMQWLPTQL-VIFPVBQESA-N 1 2 282.275 -1.457 20 0 CAADLO NC(=O)C(=O)NCC[NH2+]Cc1nnnn1-c1ccccc1 ZINC001133195644 776770288 /nfs/dbraw/zinc/77/02/88/776770288.db2.gz GUDNLOUAPJDRSZ-UHFFFAOYSA-N 1 2 289.299 -1.647 20 0 CAADLO NC(=O)C(=O)NCC[NH2+]Cc1nnnn1C1CCOCC1 ZINC001133195603 776770308 /nfs/dbraw/zinc/77/03/08/776770308.db2.gz FCXGMTASBSXDAI-UHFFFAOYSA-N 1 2 297.319 -2.284 20 0 CAADLO Cc1nnc(C[NH2+]CCNC(=O)C(N)=O)n1C1CC1 ZINC001133206528 776774156 /nfs/dbraw/zinc/77/41/56/776774156.db2.gz UYSKTWORWWPEJT-UHFFFAOYSA-N 1 2 266.305 -1.387 20 0 CAADLO C[C@H]1CCN(C(=O)Cc2ncn[nH]2)C[C@H]1C[NH2+]CC(N)=O ZINC001133238171 776774589 /nfs/dbraw/zinc/77/45/89/776774589.db2.gz PZBDKUITKVBZQD-VHSXEESVSA-N 1 2 294.359 -1.093 20 0 CAADLO C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1CNC(=O)C(N)=O ZINC001053503132 782572367 /nfs/dbraw/zinc/57/23/67/782572367.db2.gz IHDIEKLHCRSBDD-BDAKNGLRSA-N 1 2 293.327 -1.352 20 0 CAADLO CCn1cc(C[NH2+][C@H](CO)CNC(=O)C(N)=O)nn1 ZINC001283797973 777918993 /nfs/dbraw/zinc/91/89/93/777918993.db2.gz TUKMKOWZNFHIQR-QMMMGPOBSA-N 1 2 270.293 -2.650 20 0 CAADLO Cn1ncnc1C[NH2+][C@H](CO)CNC(=O)C1(C(N)=O)CC1 ZINC001283797557 777919370 /nfs/dbraw/zinc/91/93/70/777919370.db2.gz QHHZQUWNTCNTMU-QMMMGPOBSA-N 1 2 296.331 -2.353 20 0 CAADLO CCn1ccc(C[NH2+][C@H](CO)CNC(=O)C(N)=O)n1 ZINC001283798185 777919497 /nfs/dbraw/zinc/91/94/97/777919497.db2.gz VSBFLFNDINVNTP-VIFPVBQESA-N 1 2 269.305 -2.045 20 0 CAADLO C[C@H](CNC(=O)CCc1c[nH]c[nH+]1)NC(=O)CC(N)=O ZINC001284265837 777931755 /nfs/dbraw/zinc/93/17/55/777931755.db2.gz VACWFENAIJQXOF-MRVPVSSYSA-N 1 2 281.316 -1.161 20 0 CAADLO C[C@H](CNC(=O)CCc1c[nH+]c[nH]1)NC(=O)CC(N)=O ZINC001284265837 777931756 /nfs/dbraw/zinc/93/17/56/777931756.db2.gz VACWFENAIJQXOF-MRVPVSSYSA-N 1 2 281.316 -1.161 20 0 CAADLO C[C@H](CNC(=O)CCc1c[nH]c[nH+]1)NC(=O)C(N)=O ZINC001284265299 777932764 /nfs/dbraw/zinc/93/27/64/777932764.db2.gz PCYXCXAOZNZGTI-SSDOTTSWSA-N 1 2 267.289 -1.552 20 0 CAADLO C[C@H](CNC(=O)CCc1c[nH+]c[nH]1)NC(=O)C(N)=O ZINC001284265299 777932769 /nfs/dbraw/zinc/93/27/69/777932769.db2.gz PCYXCXAOZNZGTI-SSDOTTSWSA-N 1 2 267.289 -1.552 20 0 CAADLO NC(=O)CN1CC2(C1)CN(C(=O)Cn1cc[nH+]c1)CCO2 ZINC001053548938 782572639 /nfs/dbraw/zinc/57/26/39/782572639.db2.gz MEKQNRGNVYPXJX-UHFFFAOYSA-N 1 2 293.327 -1.718 20 0 CAADLO Cn1c[nH+]c(CCNC(=O)C(=O)N2CC=C[C@H]2CO)c1 ZINC001119558726 779616624 /nfs/dbraw/zinc/61/66/24/779616624.db2.gz ATMGBMIJLWJTNJ-NSHDSACASA-N 1 2 278.312 -1.162 20 0 CAADLO NS(=O)(=O)NCC[N@@H+]1CCC2(C1)OCCO2 ZINC001119541673 779616813 /nfs/dbraw/zinc/61/68/13/779616813.db2.gz QTVUFPJTEWHFIQ-UHFFFAOYSA-N 1 2 251.308 -1.772 20 0 CAADLO NS(=O)(=O)NCC[N@H+]1CCC2(C1)OCCO2 ZINC001119541673 779616816 /nfs/dbraw/zinc/61/68/16/779616816.db2.gz QTVUFPJTEWHFIQ-UHFFFAOYSA-N 1 2 251.308 -1.772 20 0 CAADLO Cn1c[nH+]c(CCNC(=O)C(=O)N[C@H]2CNOC2)c1 ZINC001120420351 779635702 /nfs/dbraw/zinc/63/57/02/779635702.db2.gz KDELQTBDVJDGNC-VIFPVBQESA-N 1 2 267.289 -1.902 20 0 CAADLO Cn1nnc(C(=O)NC[C@@H]2CCC3(C[NH+](CCO)C3)O2)n1 ZINC001053647277 782573476 /nfs/dbraw/zinc/57/34/76/782573476.db2.gz QTUBAVQMQXAJEG-VIFPVBQESA-N 1 2 296.331 -1.834 20 0 CAADLO C[C@@H](C(=O)N1C[C@H](O)C2(CC2)C1)N1CC[NH2+]CC1=O ZINC001122222495 779662137 /nfs/dbraw/zinc/66/21/37/779662137.db2.gz SRHDNURSKKJXTN-UWVGGRQHSA-N 1 2 267.329 -1.210 20 0 CAADLO C[C@H](C(=O)N1C[C@H](O)C2(CC2)C1)N1CC[NH2+]CC1=O ZINC001122222497 779662282 /nfs/dbraw/zinc/66/22/82/779662282.db2.gz SRHDNURSKKJXTN-ZJUUUORDSA-N 1 2 267.329 -1.210 20 0 CAADLO C[C@@]1(NC(=O)CN2CC[NH2+]CC2=O)CCNC1=O ZINC001122378551 779666460 /nfs/dbraw/zinc/66/64/60/779666460.db2.gz XOBYBUUHJOBCEX-LLVKDONJSA-N 1 2 254.290 -2.187 20 0 CAADLO Cc1nc(N[C@H](CO)CNC(=O)[C@@H]2CCNC2=O)cc[nH+]1 ZINC001122358313 779666620 /nfs/dbraw/zinc/66/66/20/779666620.db2.gz ZKLQDKVLXYUFEM-VHSXEESVSA-N 1 2 293.327 -1.190 20 0 CAADLO CNC(=O)Cc1noc(C[NH2+]CCNC(C)=O)n1 ZINC001122367524 779666759 /nfs/dbraw/zinc/66/67/59/779666759.db2.gz YMWKLUXEBLIORX-UHFFFAOYSA-N 1 2 255.278 -1.416 20 0 CAADLO Cc1nc(N[C@@H](CO)CNC(=O)[C@H]2CCNC2=O)cc[nH+]1 ZINC001122358314 779666969 /nfs/dbraw/zinc/66/69/69/779666969.db2.gz ZKLQDKVLXYUFEM-ZJUUUORDSA-N 1 2 293.327 -1.190 20 0 CAADLO Cn1[nH]c(C[NH2+]CCNC(=O)C(C)(F)F)nc1=O ZINC001122569264 779671820 /nfs/dbraw/zinc/67/18/20/779671820.db2.gz OUBGHBHLLGDPGH-UHFFFAOYSA-N 1 2 263.248 -1.031 20 0 CAADLO CC(=O)N[C@H](C)C(=O)NCC[NH2+]Cc1cnon1 ZINC001123082635 779679889 /nfs/dbraw/zinc/67/98/89/779679889.db2.gz KISFGKGPZHLGKW-SSDOTTSWSA-N 1 2 255.278 -1.200 20 0 CAADLO COC(=O)NCC(=O)NCC[NH2+]Cc1cnon1 ZINC001124177548 779705663 /nfs/dbraw/zinc/70/56/63/779705663.db2.gz WKLXBVIAWFOFSU-UHFFFAOYSA-N 1 2 257.250 -1.369 20 0 CAADLO COC(=O)NCC(=O)NCC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001124186456 779706340 /nfs/dbraw/zinc/70/63/40/779706340.db2.gz IVQJYOLHHRUPLE-UHFFFAOYSA-N 1 2 286.292 -2.330 20 0 CAADLO Cc1nc(NC[C@@H](O)CN(C)C(=O)CC(N)=O)cc[nH+]1 ZINC001124201142 779707483 /nfs/dbraw/zinc/70/74/83/779707483.db2.gz SKDWFZAFHLLGGX-SECBINFHSA-N 1 2 281.316 -1.108 20 0 CAADLO Cc1cc(C(=O)NCC[NH2+]Cc2nc(=O)n(C)[nH]2)[nH]n1 ZINC001124233477 779707785 /nfs/dbraw/zinc/70/77/85/779707785.db2.gz IOWQKMARFMXHCK-UHFFFAOYSA-N 1 2 279.304 -1.340 20 0 CAADLO Cn1nnc(C(=O)NC[C@H]2CCC3(C[NH+](CCO)C3)O2)n1 ZINC001053647276 782573558 /nfs/dbraw/zinc/57/35/58/782573558.db2.gz QTUBAVQMQXAJEG-SECBINFHSA-N 1 2 296.331 -1.834 20 0 CAADLO COC(=O)CNC(=O)CNC(=O)[C@@H]1COCC[NH2+]1 ZINC001220576283 780367048 /nfs/dbraw/zinc/36/70/48/780367048.db2.gz XCMKFXNEWRDFTP-ZETCQYMHSA-N 1 2 259.262 -2.620 20 0 CAADLO COC(=O)[C@H](Cc1c[nH+]cn1C)NC(=O)[C@@H]1CNC(=O)C1 ZINC001143303302 779773199 /nfs/dbraw/zinc/77/31/99/779773199.db2.gz KWTUCSWIIBZDEK-WPRPVWTQSA-N 1 2 294.311 -1.244 20 0 CAADLO COC(=O)[C@H](Cc1c[nH+]cn1C)NC(=O)[C@H]1CNC(=O)C1 ZINC001143303297 779773391 /nfs/dbraw/zinc/77/33/91/779773391.db2.gz KWTUCSWIIBZDEK-SCZZXKLOSA-N 1 2 294.311 -1.244 20 0 CAADLO CN1CCN(C(=O)C(=O)NCCn2cc[nH+]c2)CCC1=O ZINC001118580878 779578211 /nfs/dbraw/zinc/57/82/11/779578211.db2.gz HRGNDWUFZWCRCY-UHFFFAOYSA-N 1 2 293.327 -1.310 20 0 CAADLO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)[C@@H]1CCNC1=O ZINC001118801128 779588582 /nfs/dbraw/zinc/58/85/82/779588582.db2.gz ATGIMBKMOKDRLH-WDEREUQCSA-N 1 2 268.361 -1.125 20 0 CAADLO CN1C(=O)CN(CC(=O)NCCc2[nH]cc[nH+]2)C1=O ZINC001118823059 779588847 /nfs/dbraw/zinc/58/88/47/779588847.db2.gz ZQAAEXVQQPQQJF-UHFFFAOYSA-N 1 2 265.273 -1.038 20 0 CAADLO CS(=O)(=O)CCNC(=S)NCC[N@@H+]1CC[C@@H](O)C1 ZINC001118952627 779600052 /nfs/dbraw/zinc/60/00/52/779600052.db2.gz GKUZKHJEXSXXDA-SECBINFHSA-N 1 2 295.430 -1.438 20 0 CAADLO CS(=O)(=O)CCNC(=S)NCC[N@H+]1CC[C@@H](O)C1 ZINC001118952627 779600055 /nfs/dbraw/zinc/60/00/55/779600055.db2.gz GKUZKHJEXSXXDA-SECBINFHSA-N 1 2 295.430 -1.438 20 0 CAADLO CCOC(=O)[C@H]([NH3+])CNC(=O)N[C@@H](C)C(=O)OC ZINC001239245483 780535009 /nfs/dbraw/zinc/53/50/09/780535009.db2.gz XVVCUGORAXESIU-NKWVEPMBSA-N 1 2 261.278 -1.263 20 0 CAADLO COCCNC(=S)N1CC[NH2+]C[C@H]1C(=O)OC ZINC001239442879 780535986 /nfs/dbraw/zinc/53/59/86/780535986.db2.gz ATJRFEAMICDYAB-QMMMGPOBSA-N 1 2 261.347 -1.046 20 0 CAADLO CCOC(=O)[C@H]([NH3+])CNC(=S)NCC(=O)OC ZINC001239390096 780536273 /nfs/dbraw/zinc/53/62/73/780536273.db2.gz SYXMASLJNAQLND-ZCFIWIBFSA-N 1 2 263.319 -1.486 20 0 CAADLO CS(=O)(=O)N1CC([NH2+][C@@H]2CCS(=O)(=O)C2)C1 ZINC001254317435 780602469 /nfs/dbraw/zinc/60/24/69/780602469.db2.gz MFLARBRGAZAWQW-SSDOTTSWSA-N 1 2 268.360 -1.593 20 0 CAADLO CC(C)c1noc(C[NH2+]C[C@@H](O)CN(C)C(=O)C(N)=O)n1 ZINC001278797013 780605451 /nfs/dbraw/zinc/60/54/51/780605451.db2.gz ICHJGQZEYNNTHB-MRVPVSSYSA-N 1 2 299.331 -1.413 20 0 CAADLO CC(C)OCCC[NH+]1CC(O)(CNC(=O)CC(N)=O)C1 ZINC001278848575 780612400 /nfs/dbraw/zinc/61/24/00/780612400.db2.gz LRJCHSPENYEBNU-UHFFFAOYSA-N 1 2 287.360 -1.160 20 0 CAADLO O=C(NCC1(O)C[NH+](CCCO)C1)[C@H]1CCOC1 ZINC001278843485 780612584 /nfs/dbraw/zinc/61/25/84/780612584.db2.gz DFCJPITWUFHLDA-JTQLQIEISA-N 1 2 258.318 -1.432 20 0 CAADLO COC[C@@H](C)[NH+]1CC(O)(CNC(=O)[C@H]2CCCNC2=O)C1 ZINC001278877483 780617407 /nfs/dbraw/zinc/61/74/07/780617407.db2.gz LBHYIRQGQKZXBN-MNOVXSKESA-N 1 2 299.371 -1.290 20 0 CAADLO CO[C@@H](C)C[NH+]1CC(O)(CNC(=O)[C@@H]2CCCNC2=O)C1 ZINC001278878503 780617442 /nfs/dbraw/zinc/61/74/42/780617442.db2.gz ZTMBFOFUGIDBET-WDEREUQCSA-N 1 2 299.371 -1.290 20 0 CAADLO COC[C@@H](C)[NH+]1CC(O)(CNC(=O)[C@@H]2CCCNC2=O)C1 ZINC001278877482 780617563 /nfs/dbraw/zinc/61/75/63/780617563.db2.gz LBHYIRQGQKZXBN-GHMZBOCLSA-N 1 2 299.371 -1.290 20 0 CAADLO COC[C@H](C)[NH+]1CC(O)(CNC(=O)[C@@H]2CCCNC2=O)C1 ZINC001278877485 780617847 /nfs/dbraw/zinc/61/78/47/780617847.db2.gz LBHYIRQGQKZXBN-WDEREUQCSA-N 1 2 299.371 -1.290 20 0 CAADLO CC[NH+]1CC(O)(CNC(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC001278895881 780618675 /nfs/dbraw/zinc/61/86/75/780618675.db2.gz HSBVTQPNRGZVAT-MRVPVSSYSA-N 1 2 256.306 -1.807 20 0 CAADLO O=C(Nc1cnns1)C(=O)N1CC[NH+](CCO)CC1 ZINC001255814907 780619229 /nfs/dbraw/zinc/61/92/29/780619229.db2.gz GXCJNBXVORFFGF-UHFFFAOYSA-N 1 2 285.329 -1.387 20 0 CAADLO CC[NH+]1CC(O)(CNC(=O)C[C@@H]2CC(=O)NC2=O)C1 ZINC001278936660 780625201 /nfs/dbraw/zinc/62/52/01/780625201.db2.gz LQKRCFQJZJSFIT-MRVPVSSYSA-N 1 2 269.301 -1.778 20 0 CAADLO CS(=O)(=O)N1CCC([N@@H+]2CCO[C@H](C(N)=O)C2)CC1 ZINC001257240014 780628013 /nfs/dbraw/zinc/62/80/13/780628013.db2.gz LWKXMJKGJSZZAD-JTQLQIEISA-N 1 2 291.373 -1.404 20 0 CAADLO CS(=O)(=O)N1CCC([N@H+]2CCO[C@H](C(N)=O)C2)CC1 ZINC001257240014 780628016 /nfs/dbraw/zinc/62/80/16/780628016.db2.gz LWKXMJKGJSZZAD-JTQLQIEISA-N 1 2 291.373 -1.404 20 0 CAADLO COCC[N@H+](CCNC(=O)C(N)=O)[C@@H](C)C(N)=O ZINC001279048424 780630759 /nfs/dbraw/zinc/63/07/59/780630759.db2.gz BTRXWTGSEJQDLT-ZETCQYMHSA-N 1 2 260.294 -2.590 20 0 CAADLO COCC[N@@H+](CCNC(=O)C(N)=O)[C@@H](C)C(N)=O ZINC001279048424 780630761 /nfs/dbraw/zinc/63/07/61/780630761.db2.gz BTRXWTGSEJQDLT-ZETCQYMHSA-N 1 2 260.294 -2.590 20 0 CAADLO COCC1(CNC(=O)[C@@H]([NH3+])Cc2nn[nH]n2)CCOCC1 ZINC001221176989 780405367 /nfs/dbraw/zinc/40/53/67/780405367.db2.gz WRKTUFMFKWNNSG-VIFPVBQESA-N 1 2 298.347 -1.371 20 0 CAADLO CCn1cc(NC(=O)[C@@H]([NH3+])Cc2nn[nH]n2)ccc1=O ZINC001221176827 780405554 /nfs/dbraw/zinc/40/55/54/780405554.db2.gz OROCOQGKUNMZGZ-QMMMGPOBSA-N 1 2 277.288 -1.110 20 0 CAADLO [NH3+][C@@H](Cc1nn[nH]n1)C(=O)NCCc1ccc(CO)cc1 ZINC001221190336 780406118 /nfs/dbraw/zinc/40/61/18/780406118.db2.gz JOYAPBZWGYRIAM-NSHDSACASA-N 1 2 290.327 -1.079 20 0 CAADLO CCOC(=O)C=C(NC(=O)[C@@H]([NH3+])Cc1nn[nH]n1)OCC ZINC001221262547 780409737 /nfs/dbraw/zinc/40/97/37/780409737.db2.gz HUHXXCUMCFAQBH-AXDULGOBSA-N 1 2 298.303 -1.373 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)CNC(N)=O)[C@@H]2C1 ZINC001221259622 780409833 /nfs/dbraw/zinc/40/98/33/780409833.db2.gz MZKWYOCQYASYJJ-RKDXNWHRSA-N 1 2 283.332 -2.067 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)CNC(N)=O)[C@@H]2C1 ZINC001221259622 780409836 /nfs/dbraw/zinc/40/98/36/780409836.db2.gz MZKWYOCQYASYJJ-RKDXNWHRSA-N 1 2 283.332 -2.067 20 0 CAADLO COC(=O)[C@@H]([NH3+])CC(=O)N[C@@H]1CCCNC(=O)C1 ZINC001221269240 780412823 /nfs/dbraw/zinc/41/28/23/780412823.db2.gz KCYMKSFYNCAXJS-SFYZADRCSA-N 1 2 257.290 -1.338 20 0 CAADLO [NH3+][C@@H](Cc1nn[nH]n1)C(=O)N[C@H]1CCCNC(=O)C1 ZINC001221269647 780413126 /nfs/dbraw/zinc/41/31/26/780413126.db2.gz SNKPAQQBLDCMQS-BQBZGAKWSA-N 1 2 267.293 -2.146 20 0 CAADLO CC(=O)N(C)CC(=O)N1C[C@H]2CC[N@H+](CC(N)=O)C[C@H]21 ZINC001221296176 780413173 /nfs/dbraw/zinc/41/31/73/780413173.db2.gz ANUWJRDINCUWKL-GHMZBOCLSA-N 1 2 282.344 -1.517 20 0 CAADLO CC(=O)N(C)CC(=O)N1C[C@H]2CC[N@@H+](CC(N)=O)C[C@H]21 ZINC001221296176 780413177 /nfs/dbraw/zinc/41/31/77/780413177.db2.gz ANUWJRDINCUWKL-GHMZBOCLSA-N 1 2 282.344 -1.517 20 0 CAADLO CC[C@H](C)[C@H](NC(=O)[C@@H]([NH3+])Cc1nn[nH]n1)C(=O)N(C)C ZINC001221277983 780413373 /nfs/dbraw/zinc/41/33/73/780413373.db2.gz DGXQITLMZGOTSZ-NRPADANISA-N 1 2 297.363 -1.311 20 0 CAADLO CCNC(=O)CC(=O)NC[C@@H]1CC[N@@H+]1[C@H](C)C(N)=O ZINC001276833850 780427110 /nfs/dbraw/zinc/42/71/10/780427110.db2.gz GWYJUAZLONXSKN-BDAKNGLRSA-N 1 2 270.333 -1.423 20 0 CAADLO CCNC(=O)CC(=O)NC[C@@H]1CC[N@H+]1[C@H](C)C(N)=O ZINC001276833850 780427111 /nfs/dbraw/zinc/42/71/11/780427111.db2.gz GWYJUAZLONXSKN-BDAKNGLRSA-N 1 2 270.333 -1.423 20 0 CAADLO CCNC(=O)CC(=O)NC[C@H]1CC[N@@H+]1[C@@H](C)C(N)=O ZINC001276833851 780427139 /nfs/dbraw/zinc/42/71/39/780427139.db2.gz GWYJUAZLONXSKN-DTWKUNHWSA-N 1 2 270.333 -1.423 20 0 CAADLO CCNC(=O)CC(=O)NC[C@H]1CC[N@H+]1[C@@H](C)C(N)=O ZINC001276833851 780427142 /nfs/dbraw/zinc/42/71/42/780427142.db2.gz GWYJUAZLONXSKN-DTWKUNHWSA-N 1 2 270.333 -1.423 20 0 CAADLO CCNC(=O)CC(=O)NC[C@H]1CC[N@@H+]1[C@@H]1CCCNC1=O ZINC001276834431 780427484 /nfs/dbraw/zinc/42/74/84/780427484.db2.gz LFVBYDYDFKSCLQ-GHMZBOCLSA-N 1 2 296.371 -1.018 20 0 CAADLO CCNC(=O)CC(=O)NC[C@H]1CC[N@H+]1[C@@H]1CCCNC1=O ZINC001276834431 780427493 /nfs/dbraw/zinc/42/74/93/780427493.db2.gz LFVBYDYDFKSCLQ-GHMZBOCLSA-N 1 2 296.371 -1.018 20 0 CAADLO CCNC(=O)CC(=O)NC[C@@H]1CC[N@@H+]1[C@@H]1CCCNC1=O ZINC001276834442 780427508 /nfs/dbraw/zinc/42/75/08/780427508.db2.gz LFVBYDYDFKSCLQ-WDEREUQCSA-N 1 2 296.371 -1.018 20 0 CAADLO CCNC(=O)CC(=O)NC[C@@H]1CC[N@H+]1[C@@H]1CCCNC1=O ZINC001276834442 780427517 /nfs/dbraw/zinc/42/75/17/780427517.db2.gz LFVBYDYDFKSCLQ-WDEREUQCSA-N 1 2 296.371 -1.018 20 0 CAADLO CCNC(=O)CC(=O)NC[C@H]1CC[N@@H+]1[C@H]1CCCNC1=O ZINC001276834433 780427681 /nfs/dbraw/zinc/42/76/81/780427681.db2.gz LFVBYDYDFKSCLQ-MNOVXSKESA-N 1 2 296.371 -1.018 20 0 CAADLO CCNC(=O)CC(=O)NC[C@H]1CC[N@H+]1[C@H]1CCCNC1=O ZINC001276834433 780427689 /nfs/dbraw/zinc/42/76/89/780427689.db2.gz LFVBYDYDFKSCLQ-MNOVXSKESA-N 1 2 296.371 -1.018 20 0 CAADLO Cn1nnnc1C[NH+]1CCC(CNC(=O)CC(N)=O)CC1 ZINC001222687850 780428013 /nfs/dbraw/zinc/42/80/13/780428013.db2.gz HCENQGNOLYVUPF-UHFFFAOYSA-N 1 2 295.347 -1.586 20 0 CAADLO CCNC(=O)CC(=O)NC[C@H]1CC[N@@H+]1[C@@H](C)C(=O)NC ZINC001276834470 780428048 /nfs/dbraw/zinc/42/80/48/780428048.db2.gz LLUKPCLVRDSWEJ-VHSXEESVSA-N 1 2 284.360 -1.162 20 0 CAADLO CCNC(=O)CC(=O)NC[C@H]1CC[N@H+]1[C@@H](C)C(=O)NC ZINC001276834470 780428051 /nfs/dbraw/zinc/42/80/51/780428051.db2.gz LLUKPCLVRDSWEJ-VHSXEESVSA-N 1 2 284.360 -1.162 20 0 CAADLO CCOC(=O)[C@H]([NH3+])CNS(=O)(=O)c1cn[nH]c1 ZINC001238839794 780524254 /nfs/dbraw/zinc/52/42/54/780524254.db2.gz KGDLNRXAMKICLK-SSDOTTSWSA-N 1 2 262.291 -1.422 20 0 CAADLO CCOC(=O)[C@H]([NH3+])CNS(=O)(=O)c1cn(C)cn1 ZINC001238840360 780524452 /nfs/dbraw/zinc/52/44/52/780524452.db2.gz PQRFHVPWTYVTEF-SSDOTTSWSA-N 1 2 276.318 -1.411 20 0 CAADLO CCOC(=O)[C@H]([NH3+])CNS(=O)(=O)CCOC ZINC001238840325 780524496 /nfs/dbraw/zinc/52/44/96/780524496.db2.gz OVZQOZWJKXEDIN-SSDOTTSWSA-N 1 2 254.308 -1.557 20 0 CAADLO CCOC(=O)[C@H]([NH3+])CNS(=O)(=O)c1cn(C)c(C)n1 ZINC001238840723 780524743 /nfs/dbraw/zinc/52/47/43/780524743.db2.gz UAJBMWZRNSWDCT-MRVPVSSYSA-N 1 2 290.345 -1.103 20 0 CAADLO CCOC(=O)[C@H]([NH3+])CNS(=O)(=O)CCC(=O)OC ZINC001238839845 780524934 /nfs/dbraw/zinc/52/49/34/780524934.db2.gz LMCDVSVJOBYWOR-SSDOTTSWSA-N 1 2 282.318 -1.641 20 0 CAADLO O=C(CCc1[nH]cc[nH+]1)NCCN1CCNC(=O)C1 ZINC001261087488 780656390 /nfs/dbraw/zinc/65/63/90/780656390.db2.gz PYYYEGIAQHIUIL-UHFFFAOYSA-N 1 2 265.317 -1.110 20 0 CAADLO CNC(=O)[C@H]1CN(C(=O)Cn2cc[nH+]c2)CCO1 ZINC001261217864 780659368 /nfs/dbraw/zinc/65/93/68/780659368.db2.gz ANFHLHCUAHOKHX-SECBINFHSA-N 1 2 252.274 -1.144 20 0 CAADLO O=C(Cn1cc[nH+]c1)NC[C@@H](O)CN1CCCC1=O ZINC001261217299 780659374 /nfs/dbraw/zinc/65/93/74/780659374.db2.gz GPFKRUBDEXXIJR-SNVBAGLBSA-N 1 2 266.301 -1.017 20 0 CAADLO Cn1cnc(NC(=O)C(=O)N2CC[NH+](C)CC2)n1 ZINC001261238699 780660811 /nfs/dbraw/zinc/66/08/11/780660811.db2.gz NMNHDZDUQCAIJY-UHFFFAOYSA-N 1 2 252.278 -1.472 20 0 CAADLO Cn1nnnc1CNC(=O)/C=C/C[NH+]1CCOCC1 ZINC001261860170 780691593 /nfs/dbraw/zinc/69/15/93/780691593.db2.gz PQCYGHTXTHOWNR-NSCUHMNNSA-N 1 2 266.305 -1.285 20 0 CAADLO Cn1c[nH+]cc1CNC(=O)NCCNS(C)(=O)=O ZINC001261861234 780691609 /nfs/dbraw/zinc/69/16/09/780691609.db2.gz RSOVZELLCAOSRW-UHFFFAOYSA-N 1 2 275.334 -1.232 20 0 CAADLO O=C(NCC[N@H+]1CC[C@H](O)C1)C1CS(=O)(=O)C1 ZINC001261879397 780692842 /nfs/dbraw/zinc/69/28/42/780692842.db2.gz QTSRCFPRBUSAMU-VIFPVBQESA-N 1 2 262.331 -1.786 20 0 CAADLO O=C(NCC[N@@H+]1CC[C@H](O)C1)C1CS(=O)(=O)C1 ZINC001261879397 780692844 /nfs/dbraw/zinc/69/28/44/780692844.db2.gz QTSRCFPRBUSAMU-VIFPVBQESA-N 1 2 262.331 -1.786 20 0 CAADLO OC[C@H]1CN(C[C@H](O)C[NH+]2CCOCC2)CCO1 ZINC000380205992 780727435 /nfs/dbraw/zinc/72/74/35/780727435.db2.gz KALYJUCGLVOGPU-VXGBXAGGSA-N 1 2 260.334 -1.627 20 0 CAADLO OC[C@H]1C[N@H+](C[C@H](O)CN2CCOCC2)CCO1 ZINC000380205992 780727445 /nfs/dbraw/zinc/72/74/45/780727445.db2.gz KALYJUCGLVOGPU-VXGBXAGGSA-N 1 2 260.334 -1.627 20 0 CAADLO OC[C@H]1C[N@@H+](C[C@H](O)CN2CCOCC2)CCO1 ZINC000380205992 780727450 /nfs/dbraw/zinc/72/74/50/780727450.db2.gz KALYJUCGLVOGPU-VXGBXAGGSA-N 1 2 260.334 -1.627 20 0 CAADLO CCOC(=O)C[C@H](O)C[NH2+]C1CS(=O)(=O)C1 ZINC000380239599 780728356 /nfs/dbraw/zinc/72/83/56/780728356.db2.gz UYIAFSPABXJAIJ-QMMMGPOBSA-N 1 2 251.304 -1.313 20 0 CAADLO CCCNC(=O)C[N@@H+]1CC[C@H](NC(=O)C(N)=O)[C@H]1C ZINC001264716659 780738063 /nfs/dbraw/zinc/73/80/63/780738063.db2.gz RVQDAXRYIHOZSN-BDAKNGLRSA-N 1 2 270.333 -1.423 20 0 CAADLO CCCNC(=O)C[N@H+]1CC[C@H](NC(=O)C(N)=O)[C@H]1C ZINC001264716659 780738068 /nfs/dbraw/zinc/73/80/68/780738068.db2.gz RVQDAXRYIHOZSN-BDAKNGLRSA-N 1 2 270.333 -1.423 20 0 CAADLO NC(=O)C(=O)N(CCO)CC[NH2+]Cc1ccon1 ZINC001279809132 780776702 /nfs/dbraw/zinc/77/67/02/780776702.db2.gz DEKDUEVVDFSGTI-UHFFFAOYSA-N 1 2 256.262 -1.930 20 0 CAADLO Cc1cnc([C@H](C)[NH2+]CCN(CCO)C(=O)C(N)=O)o1 ZINC001279811546 780778144 /nfs/dbraw/zinc/77/81/44/780778144.db2.gz YOEXDDJEPIFRGD-VIFPVBQESA-N 1 2 284.316 -1.060 20 0 CAADLO CN(C[C@@H]1CCCN1C(=O)C(N)=O)C(=O)Cc1[nH]cc[nH+]1 ZINC001279883587 780778184 /nfs/dbraw/zinc/77/81/84/780778184.db2.gz KBMICQDRSUGFEY-VIFPVBQESA-N 1 2 293.327 -1.113 20 0 CAADLO CNC(=O)[C@H](C)[N@H+](C)[C@H](C)CNC(=O)c1nnc[nH]1 ZINC001282467232 780817592 /nfs/dbraw/zinc/81/75/92/780817592.db2.gz GSDPKUAKZUWHIN-SFYZADRCSA-N 1 2 268.321 -1.011 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+](C)[C@H](C)CNC(=O)c1nnc[nH]1 ZINC001282467232 780817605 /nfs/dbraw/zinc/81/76/05/780817605.db2.gz GSDPKUAKZUWHIN-SFYZADRCSA-N 1 2 268.321 -1.011 20 0 CAADLO CNC(=O)[C@H](C)[N@H+](C)[C@H](C)CNC(=O)c1ncn[nH]1 ZINC001282467232 780817616 /nfs/dbraw/zinc/81/76/16/780817616.db2.gz GSDPKUAKZUWHIN-SFYZADRCSA-N 1 2 268.321 -1.011 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+](C)[C@H](C)CNC(=O)c1ncn[nH]1 ZINC001282467232 780817626 /nfs/dbraw/zinc/81/76/26/780817626.db2.gz GSDPKUAKZUWHIN-SFYZADRCSA-N 1 2 268.321 -1.011 20 0 CAADLO CNC(=O)[C@H](C)[N@H+](C)[C@H](C)CNC(=O)c1nc[nH]n1 ZINC001282467232 780817634 /nfs/dbraw/zinc/81/76/34/780817634.db2.gz GSDPKUAKZUWHIN-SFYZADRCSA-N 1 2 268.321 -1.011 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+](C)[C@H](C)CNC(=O)c1nc[nH]n1 ZINC001282467232 780817644 /nfs/dbraw/zinc/81/76/44/780817644.db2.gz GSDPKUAKZUWHIN-SFYZADRCSA-N 1 2 268.321 -1.011 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+](C)[C@@H](C)CNC(=O)c1nnc[nH]1 ZINC001282467231 780818300 /nfs/dbraw/zinc/81/83/00/780818300.db2.gz GSDPKUAKZUWHIN-JGVFFNPUSA-N 1 2 268.321 -1.011 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+](C)[C@@H](C)CNC(=O)c1nnc[nH]1 ZINC001282467231 780818304 /nfs/dbraw/zinc/81/83/04/780818304.db2.gz GSDPKUAKZUWHIN-JGVFFNPUSA-N 1 2 268.321 -1.011 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+](C)[C@@H](C)CNC(=O)c1ncn[nH]1 ZINC001282467231 780818308 /nfs/dbraw/zinc/81/83/08/780818308.db2.gz GSDPKUAKZUWHIN-JGVFFNPUSA-N 1 2 268.321 -1.011 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+](C)[C@@H](C)CNC(=O)c1ncn[nH]1 ZINC001282467231 780818312 /nfs/dbraw/zinc/81/83/12/780818312.db2.gz GSDPKUAKZUWHIN-JGVFFNPUSA-N 1 2 268.321 -1.011 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+](C)[C@@H](C)CNC(=O)c1nc[nH]n1 ZINC001282467231 780818318 /nfs/dbraw/zinc/81/83/18/780818318.db2.gz GSDPKUAKZUWHIN-JGVFFNPUSA-N 1 2 268.321 -1.011 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+](C)[C@@H](C)CNC(=O)c1nc[nH]n1 ZINC001282467231 780818323 /nfs/dbraw/zinc/81/83/23/780818323.db2.gz GSDPKUAKZUWHIN-JGVFFNPUSA-N 1 2 268.321 -1.011 20 0 CAADLO CC(=O)NCCOCC[NH+]1CC(CCO)(NC(C)=O)C1 ZINC001282505671 780819586 /nfs/dbraw/zinc/81/95/86/780819586.db2.gz ZVEIQUWABYGWMY-UHFFFAOYSA-N 1 2 287.360 -1.288 20 0 CAADLO CNC(=O)C[N@H+](C)[C@@H](C)CNC(=O)C(=O)NCC1CC1 ZINC001282478562 780819608 /nfs/dbraw/zinc/81/96/08/780819608.db2.gz QGCBATMWRDFKCA-VIFPVBQESA-N 1 2 284.360 -1.305 20 0 CAADLO CNC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)C(=O)NCC1CC1 ZINC001282478562 780819618 /nfs/dbraw/zinc/81/96/18/780819618.db2.gz QGCBATMWRDFKCA-VIFPVBQESA-N 1 2 284.360 -1.305 20 0 CAADLO C[C@H](CNC(=O)c1nnc[nH]1)[N@H+](C)[C@H]1CCNC1=O ZINC001282470428 780820248 /nfs/dbraw/zinc/82/02/48/780820248.db2.gz YHPPNMYCCZPGFW-SFYZADRCSA-N 1 2 266.305 -1.257 20 0 CAADLO C[C@H](CNC(=O)c1nnc[nH]1)[N@@H+](C)[C@H]1CCNC1=O ZINC001282470428 780820258 /nfs/dbraw/zinc/82/02/58/780820258.db2.gz YHPPNMYCCZPGFW-SFYZADRCSA-N 1 2 266.305 -1.257 20 0 CAADLO C[C@H](CNC(=O)c1ncn[nH]1)[N@H+](C)[C@H]1CCNC1=O ZINC001282470428 780820265 /nfs/dbraw/zinc/82/02/65/780820265.db2.gz YHPPNMYCCZPGFW-SFYZADRCSA-N 1 2 266.305 -1.257 20 0 CAADLO C[C@H](CNC(=O)c1ncn[nH]1)[N@@H+](C)[C@H]1CCNC1=O ZINC001282470428 780820272 /nfs/dbraw/zinc/82/02/72/780820272.db2.gz YHPPNMYCCZPGFW-SFYZADRCSA-N 1 2 266.305 -1.257 20 0 CAADLO C[C@H](CNC(=O)c1nc[nH]n1)[N@H+](C)[C@H]1CCNC1=O ZINC001282470428 780820282 /nfs/dbraw/zinc/82/02/82/780820282.db2.gz YHPPNMYCCZPGFW-SFYZADRCSA-N 1 2 266.305 -1.257 20 0 CAADLO C[C@H](CNC(=O)c1nc[nH]n1)[N@@H+](C)[C@H]1CCNC1=O ZINC001282470428 780820292 /nfs/dbraw/zinc/82/02/92/780820292.db2.gz YHPPNMYCCZPGFW-SFYZADRCSA-N 1 2 266.305 -1.257 20 0 CAADLO O=C(NC[C@H]1CCC2(C[NH+](CCO)C2)O1)[C@@H]1CNC(=O)N1 ZINC001053656271 782574209 /nfs/dbraw/zinc/57/42/09/782574209.db2.gz VAXJXBISMMCQAG-ZJUUUORDSA-N 1 2 298.343 -1.990 20 0 CAADLO O=C(NC[C@H]1CCC2(C[NH+](CCO)C2)O1)[C@H]1CCNC1=O ZINC001053643107 782574480 /nfs/dbraw/zinc/57/44/80/782574480.db2.gz VCAXHHMFKPGNOB-MNOVXSKESA-N 1 2 297.355 -1.536 20 0 CAADLO O=C(NC[C@@H]1CCC2(C[NH+](CCO)C2)O1)[C@H]1CCC(=O)N1 ZINC001053583390 782574507 /nfs/dbraw/zinc/57/45/07/782574507.db2.gz ZHUKUKBYAWXBCE-WDEREUQCSA-N 1 2 297.355 -1.393 20 0 CAADLO O=C(N[C@H]1COC2(C[NH+](CCO)C2)C1)[C@@H]1COCCO1 ZINC001053746979 782575650 /nfs/dbraw/zinc/57/56/50/782575650.db2.gz PYNWHPDOGZZIIV-MNOVXSKESA-N 1 2 286.328 -1.646 20 0 CAADLO O=C(CN1CCCC1=O)N[C@@H]1COC2(C[NH+](CCO)C2)C1 ZINC001053734461 782576077 /nfs/dbraw/zinc/57/60/77/782576077.db2.gz NMRHDSIKFNNHLV-NSHDSACASA-N 1 2 297.355 -1.439 20 0 CAADLO O=C(CN1CCCC1=O)N[C@H]1COC2(C[NH+](CCO)C2)C1 ZINC001053734460 782576127 /nfs/dbraw/zinc/57/61/27/782576127.db2.gz NMRHDSIKFNNHLV-LLVKDONJSA-N 1 2 297.355 -1.439 20 0 CAADLO C[C@H](O)C[NH+]1CC2(C1)C[C@H](NC(=O)Cn1cnnn1)CO2 ZINC001053733280 782576240 /nfs/dbraw/zinc/57/62/40/782576240.db2.gz QZOAXCCPYFWFCH-UWVGGRQHSA-N 1 2 296.331 -1.987 20 0 CAADLO O=C(Cn1cccn1)N[C@@H]1COC2(C[NH+](CCO)C2)C1 ZINC001053736890 782576417 /nfs/dbraw/zinc/57/64/17/782576417.db2.gz BVZOAFLXAFLUGA-NSHDSACASA-N 1 2 280.328 -1.165 20 0 CAADLO Cc1c(C(=O)N[C@H]2COC3(C[NH+](CCO)C3)C2)nnn1C ZINC001053768985 782577383 /nfs/dbraw/zinc/57/73/83/782577383.db2.gz OJQBIKHZEVDMMN-SNVBAGLBSA-N 1 2 295.343 -1.311 20 0 CAADLO O=C(Cc1cc[nH]n1)N[C@@H]1COC2(C[NH+](CCO)C2)C1 ZINC001053764740 782577571 /nfs/dbraw/zinc/57/75/71/782577571.db2.gz XITVORSPMPQIMX-NSHDSACASA-N 1 2 280.328 -1.096 20 0 CAADLO O=C(C[C@@H]1COC(=O)C1)N[C@@H]1COC2(C[NH+](CCO)C2)C1 ZINC001053777594 782577627 /nfs/dbraw/zinc/57/76/27/782577627.db2.gz NGCWVZVPDRLAKW-QWRGUYRKSA-N 1 2 298.339 -1.109 20 0 CAADLO Cc1c(C(=O)N[C@@H]2COC3(C[NH+](CCO)C3)C2)nnn1C ZINC001053768984 782577765 /nfs/dbraw/zinc/57/77/65/782577765.db2.gz OJQBIKHZEVDMMN-JTQLQIEISA-N 1 2 295.343 -1.311 20 0 CAADLO CC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)NC(=O)NC2CC2)C[C@H]1O ZINC001190580313 781876747 /nfs/dbraw/zinc/87/67/47/781876747.db2.gz GWFYEHWNTHIAGS-WHGOUJPWSA-N 1 2 298.343 -1.456 20 0 CAADLO CC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC(=O)NC2CC2)C[C@H]1O ZINC001190580313 781876756 /nfs/dbraw/zinc/87/67/56/781876756.db2.gz GWFYEHWNTHIAGS-WHGOUJPWSA-N 1 2 298.343 -1.456 20 0 CAADLO CCN(C)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)COC)C1 ZINC001190588037 781877070 /nfs/dbraw/zinc/87/70/70/781877070.db2.gz BPMZYGUTISRCDY-NXEZZACHSA-N 1 2 273.333 -1.728 20 0 CAADLO CCN(C)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)COC)C1 ZINC001190588037 781877081 /nfs/dbraw/zinc/87/70/81/781877081.db2.gz BPMZYGUTISRCDY-NXEZZACHSA-N 1 2 273.333 -1.728 20 0 CAADLO CC(=O)N[C@@H]1C[N@H+](C[C@@H](C)CS(C)(=O)=O)C[C@H]1O ZINC001190579938 781877599 /nfs/dbraw/zinc/87/75/99/781877599.db2.gz BSHCUFUFVVJQDF-FBIMIBRVSA-N 1 2 278.374 -1.152 20 0 CAADLO CC(=O)N[C@@H]1C[N@@H+](C[C@@H](C)CS(C)(=O)=O)C[C@H]1O ZINC001190579938 781877607 /nfs/dbraw/zinc/87/76/07/781877607.db2.gz BSHCUFUFVVJQDF-FBIMIBRVSA-N 1 2 278.374 -1.152 20 0 CAADLO CNC(=O)NC(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(C)=O)C1 ZINC001190581520 781877804 /nfs/dbraw/zinc/87/78/04/781877804.db2.gz YAPDTFPBVQNNJJ-FTLITQJKSA-N 1 2 272.305 -1.988 20 0 CAADLO CNC(=O)NC(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(C)=O)C1 ZINC001190581520 781877812 /nfs/dbraw/zinc/87/78/12/781877812.db2.gz YAPDTFPBVQNNJJ-FTLITQJKSA-N 1 2 272.305 -1.988 20 0 CAADLO CC(=O)NCC(=O)N[C@@H]1C[N@H+](Cc2cnn(C)c2)C[C@H]1O ZINC001190677509 781884251 /nfs/dbraw/zinc/88/42/51/781884251.db2.gz ZPTVIFWPCZNQPM-VXGBXAGGSA-N 1 2 295.343 -1.783 20 0 CAADLO CC(=O)NCC(=O)N[C@@H]1C[N@@H+](Cc2cnn(C)c2)C[C@H]1O ZINC001190677509 781884254 /nfs/dbraw/zinc/88/42/54/781884254.db2.gz ZPTVIFWPCZNQPM-VXGBXAGGSA-N 1 2 295.343 -1.783 20 0 CAADLO CC(=O)NCC(=O)N[C@@H]1C[N@H+](Cc2cccnc2)C[C@H]1O ZINC001190676049 781884428 /nfs/dbraw/zinc/88/44/28/781884428.db2.gz GOQHYKRBQJOOBL-CHWSQXEVSA-N 1 2 292.339 -1.121 20 0 CAADLO CC(=O)NCC(=O)N[C@@H]1C[N@@H+](Cc2cccnc2)C[C@H]1O ZINC001190676049 781884437 /nfs/dbraw/zinc/88/44/37/781884437.db2.gz GOQHYKRBQJOOBL-CHWSQXEVSA-N 1 2 292.339 -1.121 20 0 CAADLO CC(=O)NCC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1O ZINC001190676096 781885048 /nfs/dbraw/zinc/88/50/48/781885048.db2.gz IBVPVIRRUXLJOD-GHMZBOCLSA-N 1 2 298.343 -2.484 20 0 CAADLO CC(=O)NCC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1O ZINC001190676096 781885060 /nfs/dbraw/zinc/88/50/60/781885060.db2.gz IBVPVIRRUXLJOD-GHMZBOCLSA-N 1 2 298.343 -2.484 20 0 CAADLO CCCC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1O ZINC001190693323 781885370 /nfs/dbraw/zinc/88/53/70/781885370.db2.gz VESNOONQOMJGNZ-OPRDCNLKSA-N 1 2 283.328 -1.247 20 0 CAADLO CCCC(=O)N[C@@H]1C[N@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1O ZINC001190693323 781885377 /nfs/dbraw/zinc/88/53/77/781885377.db2.gz VESNOONQOMJGNZ-OPRDCNLKSA-N 1 2 283.328 -1.247 20 0 CAADLO CCCC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCOCC2)C[C@H]1O ZINC001190685497 781885519 /nfs/dbraw/zinc/88/55/19/781885519.db2.gz YYUAYDNMUDDJAE-VXGBXAGGSA-N 1 2 299.371 -1.193 20 0 CAADLO CCCC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCOCC2)C[C@H]1O ZINC001190685497 781885526 /nfs/dbraw/zinc/88/55/26/781885526.db2.gz YYUAYDNMUDDJAE-VXGBXAGGSA-N 1 2 299.371 -1.193 20 0 CAADLO O=C(Cc1cc[nH]n1)N[C@H]1COC2(C[NH+](CCO)C2)C1 ZINC001053764739 782577860 /nfs/dbraw/zinc/57/78/60/782577860.db2.gz XITVORSPMPQIMX-LLVKDONJSA-N 1 2 280.328 -1.096 20 0 CAADLO CC(C)OCCC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(N)=O)C[C@H]1O ZINC001191185905 781902466 /nfs/dbraw/zinc/90/24/66/781902466.db2.gz QVAFCYKESSOSRM-GMTAPVOTSA-N 1 2 287.360 -1.163 20 0 CAADLO CC(C)OCCC(=O)N[C@@H]1C[N@H+]([C@H](C)C(N)=O)C[C@H]1O ZINC001191185905 781902472 /nfs/dbraw/zinc/90/24/72/781902472.db2.gz QVAFCYKESSOSRM-GMTAPVOTSA-N 1 2 287.360 -1.163 20 0 CAADLO CC(=O)N(C)CC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@H]1O ZINC001191185411 781903184 /nfs/dbraw/zinc/90/31/84/781903184.db2.gz GJBFBIRANWKZAB-GMTAPVOTSA-N 1 2 298.343 -2.486 20 0 CAADLO CC(=O)N(C)CC(=O)N[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@H]1O ZINC001191185411 781903192 /nfs/dbraw/zinc/90/31/92/781903192.db2.gz GJBFBIRANWKZAB-GMTAPVOTSA-N 1 2 298.343 -2.486 20 0 CAADLO CC(=O)N(C)CC(=O)N[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@H]1O ZINC001191185412 781903482 /nfs/dbraw/zinc/90/34/82/781903482.db2.gz GJBFBIRANWKZAB-OUAUKWLOSA-N 1 2 298.343 -2.486 20 0 CAADLO CC(=O)N(C)CC(=O)N[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@H]1O ZINC001191185412 781903487 /nfs/dbraw/zinc/90/34/87/781903487.db2.gz GJBFBIRANWKZAB-OUAUKWLOSA-N 1 2 298.343 -2.486 20 0 CAADLO CCCOCC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCN(C)C2=O)C[C@H]1O ZINC001191580136 781911939 /nfs/dbraw/zinc/91/19/39/781911939.db2.gz FFVUKIVRPVOCSE-IJLUTSLNSA-N 1 2 299.371 -1.195 20 0 CAADLO CCCOCC(=O)N[C@@H]1C[N@H+]([C@@H]2CCN(C)C2=O)C[C@H]1O ZINC001191580136 781911947 /nfs/dbraw/zinc/91/19/47/781911947.db2.gz FFVUKIVRPVOCSE-IJLUTSLNSA-N 1 2 299.371 -1.195 20 0 CAADLO CCOCCC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCN(C)C2=O)C[C@H]1O ZINC001191734689 781918395 /nfs/dbraw/zinc/91/83/95/781918395.db2.gz SUQSQVCXQRJGHJ-IJLUTSLNSA-N 1 2 299.371 -1.195 20 0 CAADLO CCOCCC(=O)N[C@@H]1C[N@H+]([C@@H]2CCN(C)C2=O)C[C@H]1O ZINC001191734689 781918398 /nfs/dbraw/zinc/91/83/98/781918398.db2.gz SUQSQVCXQRJGHJ-IJLUTSLNSA-N 1 2 299.371 -1.195 20 0 CAADLO Cn1cnc(C(=O)N[C@H]2COC3(C[NH+](CCO)C3)C2)c1 ZINC001053776745 782578306 /nfs/dbraw/zinc/57/83/06/782578306.db2.gz CCQHDGUBHOOULE-SNVBAGLBSA-N 1 2 280.328 -1.015 20 0 CAADLO Cn1cnc(C(=O)N[C@@H]2COC3(C[NH+](CCO)C3)C2)c1 ZINC001053776744 782578320 /nfs/dbraw/zinc/57/83/20/782578320.db2.gz CCQHDGUBHOOULE-JTQLQIEISA-N 1 2 280.328 -1.015 20 0 CAADLO CC[NH+]1CC2(C1)C[C@H](NC(=O)Cn1ncn(C)c1=O)CO2 ZINC001053851778 782582908 /nfs/dbraw/zinc/58/29/08/782582908.db2.gz APQGWTVVTIVROR-JTQLQIEISA-N 1 2 295.343 -1.439 20 0 CAADLO COCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1CCNC1=O)CO2 ZINC001053890932 782583034 /nfs/dbraw/zinc/58/30/34/782583034.db2.gz FTZDUBNYKAICPR-MNOVXSKESA-N 1 2 297.355 -1.272 20 0 CAADLO O=C(N[C@H]1COC2(C[NH+](CCO)C2)C1)[C@H]1[C@@H]2COC[C@@H]21 ZINC001053899368 782585185 /nfs/dbraw/zinc/58/51/85/782585185.db2.gz JZRAPICHCXQKFC-WYUUTHIRSA-N 1 2 282.340 -1.169 20 0 CAADLO O=C(N[C@H]1COC2(C[NH+](CCCO)C2)C1)[C@H]1CCNC1=O ZINC001053892082 782583219 /nfs/dbraw/zinc/58/32/19/782583219.db2.gz RCIRVLRNBQFSLR-MNOVXSKESA-N 1 2 297.355 -1.536 20 0 CAADLO C[C@@]1(C(=O)N[C@@H]2COC3(C[NH+](CCO)C3)C2)CNC(=O)C1 ZINC001053878848 782583245 /nfs/dbraw/zinc/58/32/45/782583245.db2.gz LCLRGMBGYMXSNM-GWCFXTLKSA-N 1 2 297.355 -1.536 20 0 CAADLO O=C(N[C@@H]1COC2(C[NH+](CCCO)C2)C1)[C@H]1CCNC1=O ZINC001053892083 782583271 /nfs/dbraw/zinc/58/32/71/782583271.db2.gz RCIRVLRNBQFSLR-QWRGUYRKSA-N 1 2 297.355 -1.536 20 0 CAADLO Cc1nn[nH]c1C(=O)N[C@H]1COC2(C[NH+](CCO)C2)C1 ZINC001053889785 782583355 /nfs/dbraw/zinc/58/33/55/782583355.db2.gz RJKVXMANVOHARX-SECBINFHSA-N 1 2 281.316 -1.321 20 0 CAADLO O=C(N[C@@H]1COC2(C[NH+](CCCO)C2)C1)c1cn[nH]n1 ZINC001053856834 782583487 /nfs/dbraw/zinc/58/34/87/782583487.db2.gz QIMYGMINOFOKPR-VIFPVBQESA-N 1 2 281.316 -1.240 20 0 CAADLO C[C@@H](O)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1cn[nH]n1)CO2 ZINC001053861555 782583541 /nfs/dbraw/zinc/58/35/41/782583541.db2.gz NPJBZCDFNGMGPB-RKDXNWHRSA-N 1 2 281.316 -1.241 20 0 CAADLO O=C(N[C@H]1COC2(C[NH+](CCO)C2)C1)[C@@H]1CCC(=O)NC1 ZINC001053855574 782583885 /nfs/dbraw/zinc/58/38/85/782583885.db2.gz QRUGKWPKLUTIAW-GHMZBOCLSA-N 1 2 297.355 -1.536 20 0 CAADLO COCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1CCNC1=O)CO2 ZINC001053890936 782584238 /nfs/dbraw/zinc/58/42/38/782584238.db2.gz FTZDUBNYKAICPR-WDEREUQCSA-N 1 2 297.355 -1.272 20 0 CAADLO O=C(N[C@H]1COC2(C[NH+](CCO)C2)C1)[C@H]1CNC(=O)N1 ZINC001053910996 782585276 /nfs/dbraw/zinc/58/52/76/782585276.db2.gz UTQXVVSBFFRDHY-RKDXNWHRSA-N 1 2 284.316 -2.380 20 0 CAADLO CC[NH+]1CC2(C1)C[C@H](NC(=O)c1nnn(C)n1)CO2 ZINC001053897099 782585038 /nfs/dbraw/zinc/58/50/38/782585038.db2.gz LAZGAZZHPZTKDP-QMMMGPOBSA-N 1 2 266.305 -1.197 20 0 CAADLO Cn1nncc1C(=O)N[C@@H]1COC2(C[NH+](CCO)C2)C1 ZINC001053791034 782579022 /nfs/dbraw/zinc/57/90/22/782579022.db2.gz FEWGFFLZWILECV-VIFPVBQESA-N 1 2 281.316 -1.620 20 0 CAADLO CC[NH+]1CC2(C1)C[C@@H](NC(=O)CN1CN=NC1=O)CO2 ZINC001053782494 782579070 /nfs/dbraw/zinc/57/90/70/782579070.db2.gz SKGPXTILTRASJA-SECBINFHSA-N 1 2 281.316 -1.037 20 0 CAADLO C[C@H](O)C[NH+]1CC2(C1)C[C@H](NC(=O)c1cn(C)nn1)CO2 ZINC001053791108 782579218 /nfs/dbraw/zinc/57/92/18/782579218.db2.gz HKQUCKVKBUXMIW-UWVGGRQHSA-N 1 2 295.343 -1.231 20 0 CAADLO C[C@H](C(=O)N[C@H]1COC2(C[NH+](CCO)C2)C1)n1cncn1 ZINC001053782336 782579362 /nfs/dbraw/zinc/57/93/62/782579362.db2.gz NDEFSMOBYIKSPR-GHMZBOCLSA-N 1 2 295.343 -1.209 20 0 CAADLO C[C@H](O)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1ncn(C)n1)CO2 ZINC001053794204 782579473 /nfs/dbraw/zinc/57/94/73/782579473.db2.gz IOOPALISAAPLLI-VHSXEESVSA-N 1 2 295.343 -1.231 20 0 CAADLO C[C@@H](C(=O)N[C@@H]1COC2(C[NH+](CCO)C2)C1)n1cncn1 ZINC001053782338 782579718 /nfs/dbraw/zinc/57/97/18/782579718.db2.gz NDEFSMOBYIKSPR-QWRGUYRKSA-N 1 2 295.343 -1.209 20 0 CAADLO O=C(CN1CN=NC1=O)N[C@H]1COC2(C[NH+](CCO)C2)C1 ZINC001053782951 782579894 /nfs/dbraw/zinc/57/98/94/782579894.db2.gz GMJMBRQXUJDHBG-SECBINFHSA-N 1 2 297.315 -2.065 20 0 CAADLO Cn1cc(C(=O)N[C@H]2COC3(C[NH+](CCO)C3)C2)nn1 ZINC001053794590 782579966 /nfs/dbraw/zinc/57/99/66/782579966.db2.gz SEVPZDXYCOCFOD-SECBINFHSA-N 1 2 281.316 -1.620 20 0 CAADLO Cn1cnc(C(=O)N[C@H]2COC3(C[NH+](CCO)C3)C2)n1 ZINC001053794248 782580081 /nfs/dbraw/zinc/58/00/81/782580081.db2.gz JNMWWVWMIFIVOJ-SECBINFHSA-N 1 2 281.316 -1.620 20 0 CAADLO O=C(Cc1cncnc1)N[C@@H]1COC2(C[NH+](CCO)C2)C1 ZINC001053788059 782580191 /nfs/dbraw/zinc/58/01/91/782580191.db2.gz HERJJZRSZSBDBQ-LBPRGKRZSA-N 1 2 292.339 -1.029 20 0 CAADLO Cn1oc(C(=O)N[C@@H]2COC3(C[NH+](CCO)C3)C2)cc1=O ZINC001053787282 782580267 /nfs/dbraw/zinc/58/02/67/782580267.db2.gz XUGGCUGHXZOVBN-VIFPVBQESA-N 1 2 297.311 -1.456 20 0 CAADLO Cn1cnc(C(=O)N[C@H]2COC3(C[NH+](CCCO)C3)C2)n1 ZINC001053794207 782580431 /nfs/dbraw/zinc/58/04/31/782580431.db2.gz IPHSBZRJLGKBJM-SNVBAGLBSA-N 1 2 295.343 -1.229 20 0 CAADLO O=C(N[C@@H]1COC2(C[NH+](CCO)C2)C1)[C@@H]1COC(=O)N1 ZINC001053792351 782580529 /nfs/dbraw/zinc/58/05/29/782580529.db2.gz RTSRUMUKEMQNHT-IUCAKERBSA-N 1 2 285.300 -1.953 20 0 CAADLO O=C(N[C@H]1COC2(C[NH+](CCCO)C2)C1)[C@H]1COC(=O)N1 ZINC001053790353 782580660 /nfs/dbraw/zinc/58/06/60/782580660.db2.gz UDZNVPWSIVDLKE-NXEZZACHSA-N 1 2 299.327 -1.563 20 0 CAADLO C[C@@H](O)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1cn(C)nn1)CO2 ZINC001053791105 782580678 /nfs/dbraw/zinc/58/06/78/782580678.db2.gz HKQUCKVKBUXMIW-NXEZZACHSA-N 1 2 295.343 -1.231 20 0 CAADLO O=C(Cn1ncnn1)N[C@H]1COC2(C[NH+](CCCF)C2)C1 ZINC001053803121 782580962 /nfs/dbraw/zinc/58/09/62/782580962.db2.gz KXNKLJBDLFKMIP-SNVBAGLBSA-N 1 2 298.322 -1.008 20 0 CAADLO O=C(Cn1ncnn1)N[C@@H]1COC2(C[NH+](CCO)C2)C1 ZINC001053803690 782581090 /nfs/dbraw/zinc/58/10/90/782581090.db2.gz YVIBKAHFTCAHEG-VIFPVBQESA-N 1 2 282.304 -2.375 20 0 CAADLO CC[NH+]1CC2(C1)C[C@@H](NC(=O)C[C@@H]1NC(=O)NC1=O)CO2 ZINC001053832773 782581141 /nfs/dbraw/zinc/58/11/41/782581141.db2.gz NVTZOVYEZZSTTG-BDAKNGLRSA-N 1 2 296.327 -1.436 20 0 CAADLO O=C(Cn1ncnn1)N[C@@H]1COC2(C[NH+](CCCO)C2)C1 ZINC001053803300 782581361 /nfs/dbraw/zinc/58/13/61/782581361.db2.gz PHQCWTXRHFHFBF-JTQLQIEISA-N 1 2 296.331 -1.985 20 0 CAADLO O=C(C[C@@H]1CCNC1=O)N[C@H]1COC2(C[NH+](CCO)C2)C1 ZINC001053828089 782581431 /nfs/dbraw/zinc/58/14/31/782581431.db2.gz MJMNLKANCMASGV-WDEREUQCSA-N 1 2 297.355 -1.536 20 0 CAADLO O=C(N[C@H]1COC2(C[NH+](CCO)C2)C1)[C@@H]1CCCNC1=O ZINC001053835405 782581452 /nfs/dbraw/zinc/58/14/52/782581452.db2.gz IVSKWSAQHPXDRU-GHMZBOCLSA-N 1 2 297.355 -1.536 20 0 CAADLO CC[NH+]1CC2(C1)C[C@H](NC(=O)C[C@@H]1NC(=O)NC1=O)CO2 ZINC001053832774 782581495 /nfs/dbraw/zinc/58/14/95/782581495.db2.gz NVTZOVYEZZSTTG-IUCAKERBSA-N 1 2 296.327 -1.436 20 0 CAADLO CCn1ncc(C(=O)N[C@H]2COC3(C[NH+](CCO)C3)C2)n1 ZINC001053795391 782581681 /nfs/dbraw/zinc/58/16/81/782581681.db2.gz NPIYGVXXJWRHNK-SNVBAGLBSA-N 1 2 295.343 -1.137 20 0 CAADLO CC[NH+]1CC2(C1)C[C@@H](NC(=O)CN1CCOCC1=O)CO2 ZINC001053830816 782581710 /nfs/dbraw/zinc/58/17/10/782581710.db2.gz MWHUMHUJPZIKAE-LLVKDONJSA-N 1 2 297.355 -1.175 20 0 CAADLO CC[NH+]1CC2(C1)C[C@@H](NC(=O)Cn1ncnn1)CO2 ZINC001053803126 782581960 /nfs/dbraw/zinc/58/19/60/782581960.db2.gz KYSIIJKZOYLNRE-SECBINFHSA-N 1 2 266.305 -1.348 20 0 CAADLO CC[NH+]1CC2(C1)C[C@H](NC(=O)CN1CCOCC1=O)CO2 ZINC001053830817 782581970 /nfs/dbraw/zinc/58/19/70/782581970.db2.gz MWHUMHUJPZIKAE-NSHDSACASA-N 1 2 297.355 -1.175 20 0 CAADLO O=C(Cn1nccn1)N[C@H]1COC2(C[NH+](CCCO)C2)C1 ZINC001053814953 782582012 /nfs/dbraw/zinc/58/20/12/782582012.db2.gz AODLHDOQEIMDFU-LLVKDONJSA-N 1 2 295.343 -1.380 20 0 CAADLO O=C(Cn1ncnn1)N[C@@H]1COC2(C[NH+](CCCF)C2)C1 ZINC001053803120 782582041 /nfs/dbraw/zinc/58/20/41/782582041.db2.gz KXNKLJBDLFKMIP-JTQLQIEISA-N 1 2 298.322 -1.008 20 0 CAADLO O=C(Cn1nccn1)N[C@H]1COC2(C[NH+](CCO)C2)C1 ZINC001053815246 782582267 /nfs/dbraw/zinc/58/22/67/782582267.db2.gz JAYUHWYBSSYZPD-SNVBAGLBSA-N 1 2 281.316 -1.770 20 0 CAADLO CCn1nncc1C(=O)N[C@@H]1COC2(C[NH+](CCO)C2)C1 ZINC001053795785 782582341 /nfs/dbraw/zinc/58/23/41/782582341.db2.gz WROVAKKLDTVNEF-JTQLQIEISA-N 1 2 295.343 -1.137 20 0 CAADLO O=C(N[C@@H]1COC2(C[NH+](CCCO)C2)C1)[C@H]1CNC(=O)N1 ZINC001053909400 782585313 /nfs/dbraw/zinc/58/53/13/782585313.db2.gz DZGAZHHQOKKULL-VHSXEESVSA-N 1 2 298.343 -1.990 20 0 CAADLO O=C(N[C@@H]1COC2(C[NH+](CCCO)C2)C1)[C@@H]1CNC(=O)N1 ZINC001053909399 782585549 /nfs/dbraw/zinc/58/55/49/782585549.db2.gz DZGAZHHQOKKULL-UWVGGRQHSA-N 1 2 298.343 -1.990 20 0 CAADLO O=C(N[C@H]1COC2(C[NH+](CCO)C2)C1)[C@@H]1CCNC1=O ZINC001053892349 782585563 /nfs/dbraw/zinc/58/55/63/782585563.db2.gz VQNSRDOYVNVGKT-NXEZZACHSA-N 1 2 283.328 -1.926 20 0 CAADLO Cn1nnc(C(=O)N[C@H]2COC3(C[NH+](CCO)C3)C2)n1 ZINC001053896704 782585685 /nfs/dbraw/zinc/58/56/85/782585685.db2.gz CRQFQMNVPIFKSY-MRVPVSSYSA-N 1 2 282.304 -2.225 20 0 CAADLO CC[NH+]1CC2(C1)C[C@@H](NC(=O)c1nnn(C)n1)CO2 ZINC001053897098 782585830 /nfs/dbraw/zinc/58/58/30/782585830.db2.gz LAZGAZZHPZTKDP-MRVPVSSYSA-N 1 2 266.305 -1.197 20 0 CAADLO CC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1CNC(=O)N1)CO2 ZINC001053909017 782586071 /nfs/dbraw/zinc/58/60/71/782586071.db2.gz AKAGJTRGPKQDDE-BDAKNGLRSA-N 1 2 268.317 -1.353 20 0 CAADLO Cn1nnc(C(=O)N[C@H]2COC3(C[NH+](CCCO)C3)C2)n1 ZINC001053896777 782586216 /nfs/dbraw/zinc/58/62/16/782586216.db2.gz DQTOACAEDPPTEF-SECBINFHSA-N 1 2 296.331 -1.834 20 0 CAADLO COCC[NH+]1CC2(C1)C[C@H](NC(=O)C(N)=O)CO2 ZINC001053912168 782586795 /nfs/dbraw/zinc/58/67/95/782586795.db2.gz VTHVOFCRXLUDSX-QMMMGPOBSA-N 1 2 257.290 -1.922 20 0 CAADLO Cn1c[nH+]cc1CC(=O)N[C@H]1COC2(CN(CCO)C2)C1 ZINC001053982404 782591151 /nfs/dbraw/zinc/59/11/51/782591151.db2.gz IVLSYGPFLNWVPE-LLVKDONJSA-N 1 2 294.355 -1.086 20 0 CAADLO C[C@@H](O)C[NH+]1CC2(C1)C[C@H](NC(=O)C(N)=O)CO2 ZINC001053912181 782587233 /nfs/dbraw/zinc/58/72/33/782587233.db2.gz VYSHWSAYBITHBK-SFYZADRCSA-N 1 2 257.290 -2.188 20 0 CAADLO NC(=O)C(=O)N[C@H]1COC2(C[NH+](CCCF)C2)C1 ZINC001053911443 782587583 /nfs/dbraw/zinc/58/75/83/782587583.db2.gz CZPNDMBDVJCAPP-MRVPVSSYSA-N 1 2 259.281 -1.209 20 0 CAADLO CO[C@H](C)C[NH+]1CC2(C1)C[C@H](NC(=O)C(N)=O)CO2 ZINC001053912085 782587670 /nfs/dbraw/zinc/58/76/70/782587670.db2.gz UMJCAATVCQSUEM-BDAKNGLRSA-N 1 2 271.317 -1.534 20 0 CAADLO Cn1c[nH+]cc1CN1CC2(C1)C[C@H](NC(=O)C(N)=O)CO2 ZINC001053911422 782587766 /nfs/dbraw/zinc/58/77/66/782587766.db2.gz CIQAFRYEBXITNB-VIFPVBQESA-N 1 2 293.327 -1.635 20 0 CAADLO O=C(N[C@@H]1COC2(C[NH+](CCO)C2)C1)c1cnon1 ZINC001053962310 782591191 /nfs/dbraw/zinc/59/11/91/782591191.db2.gz PQLQWFMFZSZNQH-QMMMGPOBSA-N 1 2 268.273 -1.365 20 0 CAADLO CC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1CC(=O)NC(=O)N1)CO2 ZINC001053940685 782588469 /nfs/dbraw/zinc/58/84/69/782588469.db2.gz JLSCBTHEWQGRHH-IUCAKERBSA-N 1 2 296.327 -1.436 20 0 CAADLO NC(=O)CN1CC2(C1)C[C@H](NC(=O)Cc1c[nH]c[nH+]1)CO2 ZINC001053939143 782588681 /nfs/dbraw/zinc/58/86/81/782588681.db2.gz FBMQROVMPVNIGG-JTQLQIEISA-N 1 2 293.327 -1.603 20 0 CAADLO CC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1CC[C@@H](C(N)=O)O1)CO2 ZINC001053924357 782588707 /nfs/dbraw/zinc/58/87/07/782588707.db2.gz REGZNIZIAXQARD-GARJFASQSA-N 1 2 297.355 -1.001 20 0 CAADLO COCC[NH+]1CC2(C1)C[C@@H](NC(=O)Cc1nc[nH]n1)CO2 ZINC001053976835 782591262 /nfs/dbraw/zinc/59/12/62/782591262.db2.gz ISZVJIGBFBHDQI-SNVBAGLBSA-N 1 2 295.343 -1.047 20 0 CAADLO COC[C@@H](C)[NH+]1CC2(C1)C[C@H](NC(=O)C(N)=O)CO2 ZINC001053913261 782588812 /nfs/dbraw/zinc/58/88/12/782588812.db2.gz OKKBZGQNXFDFHA-BDAKNGLRSA-N 1 2 271.317 -1.534 20 0 CAADLO COCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1C[C@H]1C(N)=O)CO2 ZINC001053927096 782589182 /nfs/dbraw/zinc/58/91/82/782589182.db2.gz RZWOWFNBVZCKPJ-AXFHLTTASA-N 1 2 297.355 -1.286 20 0 CAADLO NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1COC2(C[NH+](CCO)C2)C1 ZINC001053927066 782589235 /nfs/dbraw/zinc/58/92/35/782589235.db2.gz RIOBETNMYVGXLL-AEJSXWLSSA-N 1 2 283.328 -1.940 20 0 CAADLO COC[C@H](C)[NH+]1CC2(C1)C[C@@H](NC(=O)C(N)=O)CO2 ZINC001053913262 782589279 /nfs/dbraw/zinc/58/92/79/782589279.db2.gz OKKBZGQNXFDFHA-DTWKUNHWSA-N 1 2 271.317 -1.534 20 0 CAADLO NC(=O)C(=O)N[C@@H]1COC2(C[NH+](CCCO)C2)C1 ZINC001053912823 782589343 /nfs/dbraw/zinc/58/93/43/782589343.db2.gz HOLJMZYTIVASFN-QMMMGPOBSA-N 1 2 257.290 -2.186 20 0 CAADLO CC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1CC(=O)NC(=O)N1)CO2 ZINC001053940684 782589369 /nfs/dbraw/zinc/58/93/69/782589369.db2.gz JLSCBTHEWQGRHH-BDAKNGLRSA-N 1 2 296.327 -1.436 20 0 CAADLO NC(=O)C(=O)N[C@H]1COC2(C[NH+](CCCO)C2)C1 ZINC001053912822 782589393 /nfs/dbraw/zinc/58/93/93/782589393.db2.gz HOLJMZYTIVASFN-MRVPVSSYSA-N 1 2 257.290 -2.186 20 0 CAADLO Cn1cc(C(=O)N[C@@H]2COC3(C[NH+](CCO)C3)C2)[nH]c1=O ZINC001053912862 782589473 /nfs/dbraw/zinc/58/94/73/782589473.db2.gz IDYSGDBCPQZESA-VIFPVBQESA-N 1 2 296.327 -1.309 20 0 CAADLO COCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1CCC(=O)N1)CO2 ZINC001053986345 782589982 /nfs/dbraw/zinc/58/99/82/782589982.db2.gz MKRGZYZYBFARNQ-QWRGUYRKSA-N 1 2 297.355 -1.129 20 0 CAADLO C[C@H](O)C[NH+]1CC2(C1)C[C@@H](NC(=O)Cn1cncn1)CO2 ZINC001054000870 782590057 /nfs/dbraw/zinc/59/00/57/782590057.db2.gz LUHPIVBCJCFDPC-WDEREUQCSA-N 1 2 295.343 -1.382 20 0 CAADLO C[C@H](O)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1cnn(C)n1)CO2 ZINC001053956299 782590355 /nfs/dbraw/zinc/59/03/55/782590355.db2.gz COLIZXKKVUUZMI-VHSXEESVSA-N 1 2 295.343 -1.231 20 0 CAADLO C[C@H](O)C[NH+]1CC2(C1)C[C@H](NC(=O)c1cnn(C)n1)CO2 ZINC001053956298 782590461 /nfs/dbraw/zinc/59/04/61/782590461.db2.gz COLIZXKKVUUZMI-UWVGGRQHSA-N 1 2 295.343 -1.231 20 0 CAADLO O=C(N[C@H]1COC2(C[NH+](CCO)C2)C1)c1cnon1 ZINC001053962309 782590589 /nfs/dbraw/zinc/59/05/89/782590589.db2.gz PQLQWFMFZSZNQH-MRVPVSSYSA-N 1 2 268.273 -1.365 20 0 CAADLO O=C(N[C@@H]1COC2(C[NH+](CCO)C2)C1)[C@@H]1CCC(=O)N1 ZINC001053986586 782590637 /nfs/dbraw/zinc/59/06/37/782590637.db2.gz OOFGOMISASWHCU-UWVGGRQHSA-N 1 2 283.328 -1.783 20 0 CAADLO C[C@H](O)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1nnn(C)n1)CO2 ZINC001053897001 782585474 /nfs/dbraw/zinc/58/54/74/782585474.db2.gz IPMIOSLCXCDILV-DTWKUNHWSA-N 1 2 296.331 -1.836 20 0 CAADLO C[C@@H](O)C[NH+]1CC2(C1)C[C@H](NC(=O)Cc1nc[nH]n1)CO2 ZINC001053977993 782591487 /nfs/dbraw/zinc/59/14/87/782591487.db2.gz HDULBZRTXJGEOA-ZJUUUORDSA-N 1 2 295.343 -1.313 20 0 CAADLO COCC[NH+]1CC2(C1)C[C@H](NC(=O)Cc1nc[nH]n1)CO2 ZINC001053976834 782591561 /nfs/dbraw/zinc/59/15/61/782591561.db2.gz ISZVJIGBFBHDQI-JTQLQIEISA-N 1 2 295.343 -1.047 20 0 CAADLO Cn1ccc(C(=O)N[C@H]2COC3(C[NH+](CCO)C3)C2)n1 ZINC001054008486 782592547 /nfs/dbraw/zinc/59/25/47/782592547.db2.gz BNDAUNALPJGALR-SNVBAGLBSA-N 1 2 280.328 -1.015 20 0 CAADLO C[C@H]1CN(C(=O)c2cn[nH]n2)C[C@@H]1[NH2+]Cc1nnn(C)n1 ZINC001054845203 782603091 /nfs/dbraw/zinc/60/30/91/782603091.db2.gz PVSLHXPSLJCICD-CBAPKCEASA-N 1 2 291.319 -1.422 20 0 CAADLO C[C@H]1CN(C(=O)c2cn[nH]n2)C[C@H]1[NH2+]Cc1nnn(C)n1 ZINC001054845204 782603712 /nfs/dbraw/zinc/60/37/12/782603712.db2.gz PVSLHXPSLJCICD-IONNQARKSA-N 1 2 291.319 -1.422 20 0 CAADLO Cc1nnc(C[NH2+][C@H]2CN(C(=O)C(N)=O)C[C@@H]2C)o1 ZINC001055024362 782608986 /nfs/dbraw/zinc/60/89/86/782608986.db2.gz YABHGTBYIIIABI-XPUUQOCRSA-N 1 2 267.289 -1.200 20 0 CAADLO Cc1nnc(C[NH2+][C@@H]2CN(C(=O)C(N)=O)C[C@H]2C)o1 ZINC001055024359 782608072 /nfs/dbraw/zinc/60/80/72/782608072.db2.gz YABHGTBYIIIABI-HTRCEHHLSA-N 1 2 267.289 -1.200 20 0 CAADLO C[C@H]1CN(C(=O)C(N)=O)C[C@@H]1[NH2+]Cc1csnn1 ZINC001055024020 782608100 /nfs/dbraw/zinc/60/81/00/782608100.db2.gz VWKNBEFANAUUNO-XPUUQOCRSA-N 1 2 269.330 -1.040 20 0 CAADLO C[C@@H]1CN(C(=O)C(N)=O)C[C@H]1[NH2+]Cc1nncs1 ZINC001055027710 782608368 /nfs/dbraw/zinc/60/83/68/782608368.db2.gz ZFSKILPEFCASCT-RNFRBKRXSA-N 1 2 269.330 -1.040 20 0 CAADLO C[C@H]1CN(C(=O)C(N)=O)C[C@H]1[NH2+]Cc1ncccn1 ZINC001055023672 782608691 /nfs/dbraw/zinc/60/86/91/782608691.db2.gz SARJNSVLFYIFCX-DTWKUNHWSA-N 1 2 263.301 -1.102 20 0 CAADLO COCc1noc(C[NH2+][C@H]2CN(C(=O)C(N)=O)C[C@H]2C)n1 ZINC001055019604 782605439 /nfs/dbraw/zinc/60/54/39/782605439.db2.gz BMGSMWNVFXOAMD-SFYZADRCSA-N 1 2 297.315 -1.362 20 0 CAADLO C[C@@H]1CN(C(=O)C(N)=O)C[C@@H]1[NH2+]Cc1cnon1 ZINC001055022628 782606051 /nfs/dbraw/zinc/60/60/51/782606051.db2.gz DWBXPTPGGBXLHO-SVRRBLITSA-N 1 2 253.262 -1.509 20 0 CAADLO C[C@@H]1CN(C(=O)C(N)=O)C[C@H]1[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001055020500 782607096 /nfs/dbraw/zinc/60/70/96/782607096.db2.gz PLNLSMMSFRGCOY-RNFRBKRXSA-N 1 2 282.304 -2.470 20 0 CAADLO Cc1noc(C[NH2+][C@@H]2CN(C(=O)C(N)=O)C[C@H]2C)n1 ZINC001055020150 782607206 /nfs/dbraw/zinc/60/72/06/782607206.db2.gz KQJNIXNFXFLWEH-HTRCEHHLSA-N 1 2 267.289 -1.200 20 0 CAADLO CC(=O)N1CCC[C@](CO)(NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001055853274 782618713 /nfs/dbraw/zinc/61/87/13/782618713.db2.gz GAXCTQCXJTXXTN-JSGCOSHPSA-N 1 2 299.371 -1.193 20 0 CAADLO CC(=O)N1CCC[C@](CO)(NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001055853274 782618721 /nfs/dbraw/zinc/61/87/21/782618721.db2.gz GAXCTQCXJTXXTN-JSGCOSHPSA-N 1 2 299.371 -1.193 20 0 CAADLO CC(=O)N1CCC[C@@](CO)(NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001055853273 782619349 /nfs/dbraw/zinc/61/93/49/782619349.db2.gz GAXCTQCXJTXXTN-GXTWGEPZSA-N 1 2 299.371 -1.193 20 0 CAADLO CC(=O)N1CCC[C@@](CO)(NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001055853273 782619356 /nfs/dbraw/zinc/61/93/56/782619356.db2.gz GAXCTQCXJTXXTN-GXTWGEPZSA-N 1 2 299.371 -1.193 20 0 CAADLO COCC(=O)N(CCO)CCNC(=O)Cc1c[nH+]cn1C ZINC001056785744 782637215 /nfs/dbraw/zinc/63/72/15/782637215.db2.gz WWVNDWPVZBDSIV-UHFFFAOYSA-N 1 2 298.343 -1.454 20 0 CAADLO Cc1nc(N(C)C)nc(N[C@@H]2CCN(C(=O)C(N)=O)C2)[nH+]1 ZINC001056759710 782635486 /nfs/dbraw/zinc/63/54/86/782635486.db2.gz PMACRCGJAZJSDR-MRVPVSSYSA-N 1 2 293.331 -1.256 20 0 CAADLO COCC(=O)N(CCO)CCNC(=O)Cc1[nH]c[nH+]c1C ZINC001056787520 782637073 /nfs/dbraw/zinc/63/70/73/782637073.db2.gz IJVBEVZLDRRQBH-UHFFFAOYSA-N 1 2 298.343 -1.156 20 0 CAADLO CCOCC(=O)N(CCO)CCNC(=O)Cn1cc[nH+]c1 ZINC001056872644 782641002 /nfs/dbraw/zinc/64/10/02/782641002.db2.gz NXQZYUDRLFTQOO-UHFFFAOYSA-N 1 2 298.343 -1.143 20 0 CAADLO CO[C@@H](C)C(=O)N(CCO)CCNC(=O)Cn1cc[nH+]c1 ZINC001057113562 782650163 /nfs/dbraw/zinc/65/01/63/782650163.db2.gz AXOFBBOVIFIURN-NSHDSACASA-N 1 2 298.343 -1.145 20 0 CAADLO CO[C@H](C)C(=O)N(CCO)CCNC(=O)Cn1cc[nH+]c1 ZINC001057113561 782650457 /nfs/dbraw/zinc/65/04/57/782650457.db2.gz AXOFBBOVIFIURN-LLVKDONJSA-N 1 2 298.343 -1.145 20 0 CAADLO NC(=O)C[N@H+](CCO)[C@H]1CCCN(C(=O)C(N)=O)C1 ZINC001264633482 782651313 /nfs/dbraw/zinc/65/13/13/782651313.db2.gz ACMWAVSBRPWDAW-QMMMGPOBSA-N 1 2 272.305 -2.758 20 0 CAADLO NC(=O)C[N@@H+](CCO)[C@H]1CCCN(C(=O)C(N)=O)C1 ZINC001264633482 782651317 /nfs/dbraw/zinc/65/13/17/782651317.db2.gz ACMWAVSBRPWDAW-QMMMGPOBSA-N 1 2 272.305 -2.758 20 0 CAADLO CO[C@H](C)C(=O)N(CCO)CCNC(=O)Cc1c[nH]c[nH+]1 ZINC001057110364 782648455 /nfs/dbraw/zinc/64/84/55/782648455.db2.gz AXVODZHSRZSVDQ-SNVBAGLBSA-N 1 2 298.343 -1.076 20 0 CAADLO NC(=O)C[N@@H+]1C[C@@H]2CCCN(C(=O)C(N)=O)[C@@H]2C1 ZINC001050130978 782658135 /nfs/dbraw/zinc/65/81/35/782658135.db2.gz JYCZOAJMLHZPNV-JGVFFNPUSA-N 1 2 254.290 -2.120 20 0 CAADLO NC(=O)C[N@H+]1C[C@@H]2CCCN(C(=O)C(N)=O)[C@@H]2C1 ZINC001050130978 782658140 /nfs/dbraw/zinc/65/81/40/782658140.db2.gz JYCZOAJMLHZPNV-JGVFFNPUSA-N 1 2 254.290 -2.120 20 0 CAADLO NC(=O)C[N@@H+]1C[C@@H]2CCCN(C(=O)c3nc[nH]n3)[C@@H]2C1 ZINC001050167810 782658959 /nfs/dbraw/zinc/65/89/59/782658959.db2.gz QQGATQRIYLJWAP-DTWKUNHWSA-N 1 2 278.316 -1.174 20 0 CAADLO NC(=O)C[N@H+]1C[C@@H]2CCCN(C(=O)c3nc[nH]n3)[C@@H]2C1 ZINC001050167810 782658964 /nfs/dbraw/zinc/65/89/64/782658964.db2.gz QQGATQRIYLJWAP-DTWKUNHWSA-N 1 2 278.316 -1.174 20 0 CAADLO NC(=O)CC(=O)N(CCO)CCNC(=O)Cc1[nH]cc[nH+]1 ZINC001057244218 782655828 /nfs/dbraw/zinc/65/58/28/782655828.db2.gz VEVCNYZWKFYJGE-UHFFFAOYSA-N 1 2 297.315 -2.235 20 0 CAADLO Cn1nnnc1C[NH+]1CCC2(CN(C(=O)C(N)=O)C2)CC1 ZINC001050640049 782667248 /nfs/dbraw/zinc/66/72/48/782667248.db2.gz AVAGRRJTDMCCOV-UHFFFAOYSA-N 1 2 293.331 -1.880 20 0 CAADLO Cn1ncc(C[NH+]2CCC3(CN(C(=O)C(N)=O)C3)CC2)n1 ZINC001050642210 782669419 /nfs/dbraw/zinc/66/94/19/782669419.db2.gz CKPLUFBWHHRYLQ-UHFFFAOYSA-N 1 2 292.343 -1.275 20 0 CAADLO CC[N@@H+]1CCOC[C@H]1CNC(=O)[C@@H]1COC(=O)N1 ZINC001050894453 782678440 /nfs/dbraw/zinc/67/84/40/782678440.db2.gz QHGPWORQPFKWNJ-BDAKNGLRSA-N 1 2 257.290 -1.068 20 0 CAADLO CC[N@H+]1CCOC[C@H]1CNC(=O)[C@@H]1COC(=O)N1 ZINC001050894453 782678445 /nfs/dbraw/zinc/67/84/45/782678445.db2.gz QHGPWORQPFKWNJ-BDAKNGLRSA-N 1 2 257.290 -1.068 20 0 CAADLO O=C(NC[C@H]1COCC[N@H+]1CCCO)c1cn[nH]c(=O)c1 ZINC001050968223 782683268 /nfs/dbraw/zinc/68/32/68/782683268.db2.gz CIALQYULOHGQDZ-NSHDSACASA-N 1 2 296.327 -1.005 20 0 CAADLO O=C(NC[C@H]1COCC[N@@H+]1CCCO)c1cn[nH]c(=O)c1 ZINC001050968223 782683273 /nfs/dbraw/zinc/68/32/73/782683273.db2.gz CIALQYULOHGQDZ-NSHDSACASA-N 1 2 296.327 -1.005 20 0 CAADLO CC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001051059713 782684519 /nfs/dbraw/zinc/68/45/19/782684519.db2.gz CFQDNLWZULJVFO-VHSXEESVSA-N 1 2 270.333 -1.153 20 0 CAADLO CC[N@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001051059713 782684523 /nfs/dbraw/zinc/68/45/23/782684523.db2.gz CFQDNLWZULJVFO-VHSXEESVSA-N 1 2 270.333 -1.153 20 0 CAADLO C[C@@H](NC(=O)C(N)=O)[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001051059077 782684971 /nfs/dbraw/zinc/68/49/71/782684971.db2.gz IBXBANSNUOTKOA-ZJUUUORDSA-N 1 2 293.327 -1.278 20 0 CAADLO C[C@H](NC(=O)C(N)=O)[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001051059074 782685526 /nfs/dbraw/zinc/68/55/26/782685526.db2.gz IBXBANSNUOTKOA-VHSXEESVSA-N 1 2 293.327 -1.278 20 0 CAADLO O=C(NC[C@@H]1COCC[N@H+]1CCCO)[C@@H]1CCNC1=O ZINC001051067229 782686547 /nfs/dbraw/zinc/68/65/47/782686547.db2.gz RKIFALRWNBAAHK-GHMZBOCLSA-N 1 2 285.344 -1.678 20 0 CAADLO O=C(NC[C@@H]1COCC[N@@H+]1CCCO)[C@@H]1CCNC1=O ZINC001051067229 782686551 /nfs/dbraw/zinc/68/65/51/782686551.db2.gz RKIFALRWNBAAHK-GHMZBOCLSA-N 1 2 285.344 -1.678 20 0 CAADLO C[C@@H](O)C[N@@H+]1CCOC[C@H]1CNC(=O)c1c[nH]c(=O)n1C ZINC001051064171 782686659 /nfs/dbraw/zinc/68/66/59/782686659.db2.gz MDMGPHPKFPPGSF-NXEZZACHSA-N 1 2 298.343 -1.063 20 0 CAADLO C[C@@H](O)C[N@H+]1CCOC[C@H]1CNC(=O)c1c[nH]c(=O)n1C ZINC001051064171 782686668 /nfs/dbraw/zinc/68/66/68/782686668.db2.gz MDMGPHPKFPPGSF-NXEZZACHSA-N 1 2 298.343 -1.063 20 0 CAADLO Cn1c(=O)[nH]cc1C(=O)NC[C@@H]1COCC[N@@H+]1CCCO ZINC001051064128 782686700 /nfs/dbraw/zinc/68/67/00/782686700.db2.gz LGFSIOMCESFMFL-SNVBAGLBSA-N 1 2 298.343 -1.061 20 0 CAADLO Cn1c(=O)[nH]cc1C(=O)NC[C@@H]1COCC[N@H+]1CCCO ZINC001051064128 782686706 /nfs/dbraw/zinc/68/67/06/782686706.db2.gz LGFSIOMCESFMFL-SNVBAGLBSA-N 1 2 298.343 -1.061 20 0 CAADLO O=C(NC[C@H]1COCC[N@H+]1CCCO)[C@H]1CCNC1=O ZINC001051067232 782686759 /nfs/dbraw/zinc/68/67/59/782686759.db2.gz RKIFALRWNBAAHK-QWRGUYRKSA-N 1 2 285.344 -1.678 20 0 CAADLO O=C(NC[C@H]1COCC[N@@H+]1CCCO)[C@H]1CCNC1=O ZINC001051067232 782686765 /nfs/dbraw/zinc/68/67/65/782686765.db2.gz RKIFALRWNBAAHK-QWRGUYRKSA-N 1 2 285.344 -1.678 20 0 CAADLO Cn1cc(C(=O)NC[C@@H]2COCC[N@@H+]2CCCO)[nH]c1=O ZINC001051091301 782687513 /nfs/dbraw/zinc/68/75/13/782687513.db2.gz FVGVEFXJRZMQRX-SNVBAGLBSA-N 1 2 298.343 -1.061 20 0 CAADLO Cn1cc(C(=O)NC[C@@H]2COCC[N@H+]2CCCO)[nH]c1=O ZINC001051091301 782687515 /nfs/dbraw/zinc/68/75/15/782687515.db2.gz FVGVEFXJRZMQRX-SNVBAGLBSA-N 1 2 298.343 -1.061 20 0 CAADLO CN1CC[C@H](C(=O)NC[C@H]2COCC[N@@H+]2CCCO)C1=O ZINC001051077111 782687917 /nfs/dbraw/zinc/68/79/17/782687917.db2.gz KVWWTYKNUYGVJX-NWDGAFQWSA-N 1 2 299.371 -1.336 20 0 CAADLO CN1CC[C@H](C(=O)NC[C@H]2COCC[N@H+]2CCCO)C1=O ZINC001051077111 782687924 /nfs/dbraw/zinc/68/79/24/782687924.db2.gz KVWWTYKNUYGVJX-NWDGAFQWSA-N 1 2 299.371 -1.336 20 0 CAADLO CN1CC[C@@H](C(=O)NC[C@H]2COCC[N@@H+]2CCCO)C1=O ZINC001051077112 782688393 /nfs/dbraw/zinc/68/83/93/782688393.db2.gz KVWWTYKNUYGVJX-RYUDHWBXSA-N 1 2 299.371 -1.336 20 0 CAADLO CN1CC[C@@H](C(=O)NC[C@H]2COCC[N@H+]2CCCO)C1=O ZINC001051077112 782688400 /nfs/dbraw/zinc/68/84/00/782688400.db2.gz KVWWTYKNUYGVJX-RYUDHWBXSA-N 1 2 299.371 -1.336 20 0 CAADLO CC[N@@H+]1CCOC[C@H]1CNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001051115662 782689803 /nfs/dbraw/zinc/68/98/03/782689803.db2.gz CEBYMUBKFKIISA-BBBLOLIVSA-N 1 2 255.318 -1.055 20 0 CAADLO CC[N@H+]1CCOC[C@H]1CNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001051115662 782689805 /nfs/dbraw/zinc/68/98/05/782689805.db2.gz CEBYMUBKFKIISA-BBBLOLIVSA-N 1 2 255.318 -1.055 20 0 CAADLO O=C(NC[C@H]1COCC[N@H+]1CCCF)[C@H]1CNC(=O)N1 ZINC001051097195 782689840 /nfs/dbraw/zinc/68/98/40/782689840.db2.gz WUFUQLIAYMNHSK-VHSXEESVSA-N 1 2 288.323 -1.156 20 0 CAADLO O=C(NC[C@H]1COCC[N@@H+]1CCCF)[C@H]1CNC(=O)N1 ZINC001051097195 782689841 /nfs/dbraw/zinc/68/98/41/782689841.db2.gz WUFUQLIAYMNHSK-VHSXEESVSA-N 1 2 288.323 -1.156 20 0 CAADLO CC[N@@H+]1CCOC[C@H]1CNC(=O)C1CC(=O)NC(=O)C1 ZINC001051163984 782691031 /nfs/dbraw/zinc/69/10/31/782691031.db2.gz MTIYNTXTOYBCJR-SNVBAGLBSA-N 1 2 283.328 -1.124 20 0 CAADLO CC[N@H+]1CCOC[C@H]1CNC(=O)C1CC(=O)NC(=O)C1 ZINC001051163984 782691032 /nfs/dbraw/zinc/69/10/32/782691032.db2.gz MTIYNTXTOYBCJR-SNVBAGLBSA-N 1 2 283.328 -1.124 20 0 CAADLO CCC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001051139220 782691324 /nfs/dbraw/zinc/69/13/24/782691324.db2.gz FOZJXAPBEPFIAA-UWVGGRQHSA-N 1 2 298.343 -1.189 20 0 CAADLO CCC[N@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001051139220 782691328 /nfs/dbraw/zinc/69/13/28/782691328.db2.gz FOZJXAPBEPFIAA-UWVGGRQHSA-N 1 2 298.343 -1.189 20 0 CAADLO C[C@@H](NC(=O)C(N)=O)[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001051420053 782695901 /nfs/dbraw/zinc/69/59/01/782695901.db2.gz ZLGNIDIXDXTPCB-RKDXNWHRSA-N 1 2 293.327 -1.209 20 0 CAADLO C[C@H](NC(=O)Cc1[nH]cc[nH+]1)[C@H]1CCN(C(=O)C(N)=O)C1 ZINC001051458830 782696204 /nfs/dbraw/zinc/69/62/04/782696204.db2.gz BRMHKGAAVJAGHB-IUCAKERBSA-N 1 2 293.327 -1.209 20 0 CAADLO C[C@H](NC(=O)Cn1cc[nH+]c1)[C@H]1CCN(C(=O)C(N)=O)C1 ZINC001051468721 782697487 /nfs/dbraw/zinc/69/74/87/782697487.db2.gz IMQDJDYYQHHTOW-UWVGGRQHSA-N 1 2 293.327 -1.278 20 0 CAADLO CC[N@@H+]1CCOC[C@H]1CNC(=O)c1cn(C)c(=O)[nH]c1=O ZINC001051243384 782692529 /nfs/dbraw/zinc/69/25/29/782692529.db2.gz IREPBKVGKCXDCH-SECBINFHSA-N 1 2 296.327 -1.064 20 0 CAADLO CC[N@H+]1CCOC[C@H]1CNC(=O)c1cn(C)c(=O)[nH]c1=O ZINC001051243384 782692534 /nfs/dbraw/zinc/69/25/34/782692534.db2.gz IREPBKVGKCXDCH-SECBINFHSA-N 1 2 296.327 -1.064 20 0 CAADLO NC(=O)CC(=O)N1CCO[C@H](C[NH2+]Cc2cnsn2)C1 ZINC001051505758 782698535 /nfs/dbraw/zinc/69/85/35/782698535.db2.gz SGQWLLDOFPWRAB-SECBINFHSA-N 1 2 299.356 -1.270 20 0 CAADLO Cc1noc(C[NH2+]C[C@H]2CN(C(=O)CC(N)=O)CCO2)n1 ZINC001051501890 782699375 /nfs/dbraw/zinc/69/93/75/782699375.db2.gz LEPKBNAAGDKMQT-VIFPVBQESA-N 1 2 297.315 -1.430 20 0 CAADLO C[C@@H](NC(=O)C(N)=O)[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001051673229 782699885 /nfs/dbraw/zinc/69/98/85/782699885.db2.gz YPGBLCVYAXPZGE-BDAKNGLRSA-N 1 2 293.327 -1.209 20 0 CAADLO C[C@H](NC(=O)C(N)=O)[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001051673231 782700496 /nfs/dbraw/zinc/70/04/96/782700496.db2.gz YPGBLCVYAXPZGE-IUCAKERBSA-N 1 2 293.327 -1.209 20 0 CAADLO NC(=O)C(=O)N1CCO[C@H](C[NH2+]Cc2csnn2)C1 ZINC001051794203 782704227 /nfs/dbraw/zinc/70/42/27/782704227.db2.gz ICBLGLORHSQICB-MRVPVSSYSA-N 1 2 285.329 -1.660 20 0 CAADLO Cc1nc(N2CC[C@H](NC(=O)C(N)=O)[C@H](O)C2)cc[nH+]1 ZINC001051766332 782702232 /nfs/dbraw/zinc/70/22/32/782702232.db2.gz IDRXZVIHMBUBLQ-DTWKUNHWSA-N 1 2 279.300 -1.674 20 0 CAADLO Cc1nc(N2CC[C@@H](NC(=O)C(N)=O)[C@H](O)C2)cc[nH+]1 ZINC001051766334 782702514 /nfs/dbraw/zinc/70/25/14/782702514.db2.gz IDRXZVIHMBUBLQ-RKDXNWHRSA-N 1 2 279.300 -1.674 20 0 CAADLO Cc1noc(C[NH2+]C[C@H]2CN(C(=O)C(N)=O)CCO2)n1 ZINC001051794368 782703303 /nfs/dbraw/zinc/70/33/03/782703303.db2.gz LETIGKQKLLPLPD-QMMMGPOBSA-N 1 2 283.288 -1.820 20 0 CAADLO Cc1nnc(C[NH2+]C[C@@H]2CN(C(=O)C(N)=O)CCO2)o1 ZINC001051794213 782705310 /nfs/dbraw/zinc/70/53/10/782705310.db2.gz IFQOZQFEOHRZLC-MRVPVSSYSA-N 1 2 283.288 -1.820 20 0 CAADLO CCc1nnc(C[NH2+]C[C@@H]2CN(C(=O)C(N)=O)CCO2)o1 ZINC001051794927 782706042 /nfs/dbraw/zinc/70/60/42/782706042.db2.gz WWNUWPSAVYOSPE-MRVPVSSYSA-N 1 2 297.315 -1.566 20 0 CAADLO Cc1nnc([C@@H](C)[NH2+]C[C@H]2CN(C(=O)C(N)=O)CCO2)o1 ZINC001051794666 782706262 /nfs/dbraw/zinc/70/62/62/782706262.db2.gz RDLPNXGNMXQTEP-APPZFPTMSA-N 1 2 297.315 -1.259 20 0 CAADLO CC(=O)N1CC[C@@H]([NH+]2CCN(CC(N)=O)CC2)C1 ZINC001051961546 782709849 /nfs/dbraw/zinc/70/98/49/782709849.db2.gz WMIKMZCPYAZEMN-LLVKDONJSA-N 1 2 254.334 -1.290 20 0 CAADLO Cc1nnc([C@@H](C)[NH2+]C[C@@H]2CN(C(=O)C(N)=O)CCO2)o1 ZINC001051794669 782706601 /nfs/dbraw/zinc/70/66/01/782706601.db2.gz RDLPNXGNMXQTEP-VXNVDRBHSA-N 1 2 297.315 -1.259 20 0 CAADLO CCc1noc(C[NH2+]C[C@@H]2CN(C(=O)C(N)=O)CCO2)n1 ZINC001051794895 782706948 /nfs/dbraw/zinc/70/69/48/782706948.db2.gz VYXMRUWSMCGWNY-MRVPVSSYSA-N 1 2 297.315 -1.566 20 0 CAADLO Cc1nnc([C@H](C)[NH2+]C[C@H]2CN(C(=O)C(N)=O)CCO2)o1 ZINC001051794667 782707083 /nfs/dbraw/zinc/70/70/83/782707083.db2.gz RDLPNXGNMXQTEP-CBAPKCEASA-N 1 2 297.315 -1.259 20 0 CAADLO CCc1noc(C[NH2+]C[C@H]2CN(C(=O)C(N)=O)CCO2)n1 ZINC001051794896 782707151 /nfs/dbraw/zinc/70/71/51/782707151.db2.gz VYXMRUWSMCGWNY-QMMMGPOBSA-N 1 2 297.315 -1.566 20 0 CAADLO NC(=O)CC(=O)N1CC[C@H]([NH+]2CCN(CCO)CC2)C1 ZINC001052003679 782709238 /nfs/dbraw/zinc/70/92/38/782709238.db2.gz YYGKHLLIOZVWHL-NSHDSACASA-N 1 2 284.360 -1.927 20 0 CAADLO NC(=O)CC(=O)N1CC[C@@H]([NH+]2CCN(CCCO)CC2)C1 ZINC001052002005 782710098 /nfs/dbraw/zinc/71/00/98/782710098.db2.gz BVBAQRSLEOSKJS-GFCCVEGCSA-N 1 2 298.387 -1.537 20 0 CAADLO NC(=O)CC(=O)N1CC[C@H]([NH+]2CCN(CC(N)=O)CC2)C1 ZINC001052001639 782709328 /nfs/dbraw/zinc/70/93/28/782709328.db2.gz XRSOMTAXQWJKGH-JTQLQIEISA-N 1 2 297.359 -2.434 20 0 CAADLO COCC(=O)N1CC[C@H]([NH+]2CCN([C@H](C)C(N)=O)CC2)C1 ZINC001051956174 782709481 /nfs/dbraw/zinc/70/94/81/782709481.db2.gz KJHHQCMREASYRE-NEPJUHHUSA-N 1 2 298.387 -1.275 20 0 CAADLO CO[C@H](C)C(=O)N1CC[C@@H]([NH+]2CCN(CC(N)=O)CC2)C1 ZINC001051992002 782710318 /nfs/dbraw/zinc/71/03/18/782710318.db2.gz PZDLCXCRHMPKFG-VXGBXAGGSA-N 1 2 298.387 -1.275 20 0 CAADLO COCC(=O)N1CC[C@@H]([NH+]2CCN([C@H](C)C(N)=O)CC2)C1 ZINC001051956177 782710427 /nfs/dbraw/zinc/71/04/27/782710427.db2.gz KJHHQCMREASYRE-VXGBXAGGSA-N 1 2 298.387 -1.275 20 0 CAADLO CNC(=O)CN1CC[NH+]([C@@H]2CCN(C(=O)COC)C2)CC1 ZINC001051956300 782710490 /nfs/dbraw/zinc/71/04/90/782710490.db2.gz NAXHUUNRAHPDTA-GFCCVEGCSA-N 1 2 298.387 -1.403 20 0 CAADLO COCC(=O)N1CC[C@H]([NH+]2CCN([C@@H](C)C(N)=O)CC2)C1 ZINC001051956176 782710516 /nfs/dbraw/zinc/71/05/16/782710516.db2.gz KJHHQCMREASYRE-RYUDHWBXSA-N 1 2 298.387 -1.275 20 0 CAADLO COCC(=O)N1CC[C@H]([NH+]2CCN(CCO)CC2)C1 ZINC001051958471 782710625 /nfs/dbraw/zinc/71/06/25/782710625.db2.gz WJNYRRRMEWNQRF-LBPRGKRZSA-N 1 2 271.361 -1.156 20 0 CAADLO CO[C@H](C)C(=O)N1CC[C@H]([NH+]2CCN(CC(N)=O)CC2)C1 ZINC001051991999 782710693 /nfs/dbraw/zinc/71/06/93/782710693.db2.gz PZDLCXCRHMPKFG-NEPJUHHUSA-N 1 2 298.387 -1.275 20 0 CAADLO COCCN1CC[NH+]([C@@H]2CCN(C(=O)CC(N)=O)C2)CC1 ZINC001052001641 782710725 /nfs/dbraw/zinc/71/07/25/782710725.db2.gz XSXVQHFUISZNSJ-GFCCVEGCSA-N 1 2 298.387 -1.273 20 0 CAADLO COCC(=O)NCCN(CCO)C(=O)CCc1c[nH]c[nH+]1 ZINC001057900445 782720110 /nfs/dbraw/zinc/72/01/10/782720110.db2.gz ZWTURLOUJLWHLY-UHFFFAOYSA-N 1 2 298.343 -1.074 20 0 CAADLO COCC(=O)NCCN(CCO)C(=O)CCc1c[nH+]c[nH]1 ZINC001057900445 782720114 /nfs/dbraw/zinc/72/01/14/782720114.db2.gz ZWTURLOUJLWHLY-UHFFFAOYSA-N 1 2 298.343 -1.074 20 0 CAADLO NC(=O)CC(=O)NCCN(CCO)C(=O)Cn1cc[nH+]c1 ZINC001057994111 782720596 /nfs/dbraw/zinc/72/05/96/782720596.db2.gz JKNJRNSCUOXMAG-UHFFFAOYSA-N 1 2 297.315 -2.304 20 0 CAADLO CC(=O)NCCN(CCO)C(=O)Cn1cc[nH+]c1 ZINC001057996365 782720660 /nfs/dbraw/zinc/72/06/60/782720660.db2.gz HHSZKQDJMNWLSK-UHFFFAOYSA-N 1 2 254.290 -1.160 20 0 CAADLO COCCC(=O)NCCN(CCO)C(=O)Cn1cc[nH+]c1 ZINC001057996269 782720761 /nfs/dbraw/zinc/72/07/61/782720761.db2.gz DBXWTYGKDCYRIH-UHFFFAOYSA-N 1 2 298.343 -1.143 20 0 CAADLO CO[C@H](C)C(=O)NCCN(CCO)C(=O)Cn1cc[nH+]c1 ZINC001057994096 782721034 /nfs/dbraw/zinc/72/10/34/782721034.db2.gz IYSUWHLYFVOJNF-LLVKDONJSA-N 1 2 298.343 -1.145 20 0 CAADLO CCOCC(=O)NCCN(CCO)C(=O)Cn1cc[nH+]c1 ZINC001057994360 782721357 /nfs/dbraw/zinc/72/13/57/782721357.db2.gz VFIBWRRPYWDPBX-UHFFFAOYSA-N 1 2 298.343 -1.143 20 0 CAADLO COCC(=O)NCCN(CCO)C(=O)Cc1[nH]c[nH+]c1C ZINC001058262162 782726036 /nfs/dbraw/zinc/72/60/36/782726036.db2.gz VYOYTULVOFQSHY-UHFFFAOYSA-N 1 2 298.343 -1.156 20 0 CAADLO CN(CCCN(C)C(=O)C(N)=O)C(=O)Cn1cc[nH+]c1 ZINC001067716237 782730888 /nfs/dbraw/zinc/73/08/88/782730888.db2.gz GXJUBAMEAINRHB-UHFFFAOYSA-N 1 2 281.316 -1.325 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(C)=O)[C@@H](n2ccnn2)C1 ZINC001069885405 782742417 /nfs/dbraw/zinc/74/24/17/782742417.db2.gz GOSLSZAGSBTEFG-IEBDPFPHSA-N 1 2 280.332 -1.226 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(C)=O)[C@@H](n2ccnn2)C1 ZINC001069885405 782742425 /nfs/dbraw/zinc/74/24/25/782742425.db2.gz GOSLSZAGSBTEFG-IEBDPFPHSA-N 1 2 280.332 -1.226 20 0 CAADLO O=C(N[C@@H]1C[N@@H+](CCO)C[C@@H]1n1ccnn1)C(F)F ZINC001069886379 782740823 /nfs/dbraw/zinc/74/08/23/782740823.db2.gz YRVUKMKFYFZZNE-SFYZADRCSA-N 1 2 275.259 -1.123 20 0 CAADLO O=C(N[C@@H]1C[N@H+](CCO)C[C@@H]1n1ccnn1)C(F)F ZINC001069886379 782740830 /nfs/dbraw/zinc/74/08/30/782740830.db2.gz YRVUKMKFYFZZNE-SFYZADRCSA-N 1 2 275.259 -1.123 20 0 CAADLO CC(=O)N[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@@H]1n1ccnn1 ZINC001069884357 782741165 /nfs/dbraw/zinc/74/11/65/782741165.db2.gz GGSVBYXKNYFCEP-VWYCJHECSA-N 1 2 278.316 -1.472 20 0 CAADLO CC(=O)N[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@@H]1n1ccnn1 ZINC001069884357 782741174 /nfs/dbraw/zinc/74/11/74/782741174.db2.gz GGSVBYXKNYFCEP-VWYCJHECSA-N 1 2 278.316 -1.472 20 0 CAADLO CC[C@@H](C(N)=O)[N@@H+]1C[C@@H](NC(C)=O)[C@@H](n2ccnn2)C1 ZINC001069886048 782741216 /nfs/dbraw/zinc/74/12/16/782741216.db2.gz KKISHELOHJBJIF-VWYCJHECSA-N 1 2 280.332 -1.097 20 0 CAADLO CC[C@@H](C(N)=O)[N@H+]1C[C@@H](NC(C)=O)[C@@H](n2ccnn2)C1 ZINC001069886048 782741224 /nfs/dbraw/zinc/74/12/24/782741224.db2.gz KKISHELOHJBJIF-VWYCJHECSA-N 1 2 280.332 -1.097 20 0 CAADLO O=C([C@H]1CCS(=O)(=O)C1)N1CCC[N@@H+](CCO)CC1 ZINC000071349104 782741645 /nfs/dbraw/zinc/74/16/45/782741645.db2.gz CVUGBAGGGFQDEG-NSHDSACASA-N 1 2 290.385 -1.052 20 0 CAADLO O=C([C@H]1CCS(=O)(=O)C1)N1CCC[N@H+](CCO)CC1 ZINC000071349104 782741651 /nfs/dbraw/zinc/74/16/51/782741651.db2.gz CVUGBAGGGFQDEG-NSHDSACASA-N 1 2 290.385 -1.052 20 0 CAADLO CC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@@H]1n1ccnn1 ZINC001069884356 782741908 /nfs/dbraw/zinc/74/19/08/782741908.db2.gz GGSVBYXKNYFCEP-MXWKQRLJSA-N 1 2 278.316 -1.472 20 0 CAADLO CC(=O)N[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@@H]1n1ccnn1 ZINC001069884356 782741912 /nfs/dbraw/zinc/74/19/12/782741912.db2.gz GGSVBYXKNYFCEP-MXWKQRLJSA-N 1 2 278.316 -1.472 20 0 CAADLO O=C(N[C@@H]1C[N@@H+](CCO)C[C@@H]1n1ccnn1)c1cnco1 ZINC001069992792 782743132 /nfs/dbraw/zinc/74/31/32/782743132.db2.gz VODFLOIGQCCKQQ-ZJUUUORDSA-N 1 2 292.299 -1.086 20 0 CAADLO O=C(N[C@@H]1C[N@H+](CCO)C[C@@H]1n1ccnn1)c1cnco1 ZINC001069992792 782743138 /nfs/dbraw/zinc/74/31/38/782743138.db2.gz VODFLOIGQCCKQQ-ZJUUUORDSA-N 1 2 292.299 -1.086 20 0 CAADLO Cn1ncc(C[NH2+]CCS(=O)(=O)N2CCOCC2)n1 ZINC000389818308 782743283 /nfs/dbraw/zinc/74/32/83/782743283.db2.gz VUUMFRYHXAQQFJ-UHFFFAOYSA-N 1 2 289.361 -1.433 20 0 CAADLO CC(=O)N1C[C@@H]([NH2+]Cc2cn(C)nn2)[C@@H](n2ccnn2)C1 ZINC001070114872 782747438 /nfs/dbraw/zinc/74/74/38/782747438.db2.gz JVRGLUDLGUMUSA-NEPJUHHUSA-N 1 2 290.331 -1.032 20 0 CAADLO O=C([C@@H]1CCCO1)N1CCC(=O)NCC[N@@H+](CCO)CC1 ZINC001070936193 782755015 /nfs/dbraw/zinc/75/50/15/782755015.db2.gz GRNKEFRXBRLBPD-LBPRGKRZSA-N 1 2 299.371 -1.192 20 0 CAADLO O=C([C@@H]1CCCO1)N1CCC(=O)NCC[N@H+](CCO)CC1 ZINC001070936193 782755023 /nfs/dbraw/zinc/75/50/23/782755023.db2.gz GRNKEFRXBRLBPD-LBPRGKRZSA-N 1 2 299.371 -1.192 20 0 CAADLO NC(=O)CC(=O)N[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001070933735 782755803 /nfs/dbraw/zinc/75/58/03/782755803.db2.gz BMVHPEZSYFFPIM-SNVBAGLBSA-N 1 2 293.327 -1.134 20 0 CAADLO O=C(c1ccon1)N1CCC(=O)NCC[N@@H+](CCO)CC1 ZINC001070943335 782756011 /nfs/dbraw/zinc/75/60/11/782756011.db2.gz LLUNNDZUELCKIT-UHFFFAOYSA-N 1 2 296.327 -1.069 20 0 CAADLO O=C(c1ccon1)N1CCC(=O)NCC[N@H+](CCO)CC1 ZINC001070943335 782756017 /nfs/dbraw/zinc/75/60/17/782756017.db2.gz LLUNNDZUELCKIT-UHFFFAOYSA-N 1 2 296.327 -1.069 20 0 CAADLO O=C(c1ncc[nH]1)N1CCC(=O)NCC[N@@H+](CCO)CC1 ZINC001070961225 782756787 /nfs/dbraw/zinc/75/67/87/782756787.db2.gz NQUPHWPWIBQAMI-UHFFFAOYSA-N 1 2 295.343 -1.334 20 0 CAADLO O=C(c1ncc[nH]1)N1CCC(=O)NCC[N@H+](CCO)CC1 ZINC001070961225 782756795 /nfs/dbraw/zinc/75/67/95/782756795.db2.gz NQUPHWPWIBQAMI-UHFFFAOYSA-N 1 2 295.343 -1.334 20 0 CAADLO COCC(=O)N1C[C@@H](C)O[C@]2(CC[N@H+](CC(N)=O)C2)C1 ZINC001071112919 782757007 /nfs/dbraw/zinc/75/70/07/782757007.db2.gz HEEBFQHCDUOUFT-MFKMUULPSA-N 1 2 285.344 -1.190 20 0 CAADLO COCC(=O)N1C[C@@H](C)O[C@]2(CC[N@@H+](CC(N)=O)C2)C1 ZINC001071112919 782757016 /nfs/dbraw/zinc/75/70/16/782757016.db2.gz HEEBFQHCDUOUFT-MFKMUULPSA-N 1 2 285.344 -1.190 20 0 CAADLO COCC[N@@H+]1CCNC(=O)CCN(C(=O)C(N)=O)CC1 ZINC001070993993 782757173 /nfs/dbraw/zinc/75/71/73/782757173.db2.gz XSWJZHZUVFPBPH-UHFFFAOYSA-N 1 2 286.332 -2.231 20 0 CAADLO COCC[N@H+]1CCNC(=O)CCN(C(=O)C(N)=O)CC1 ZINC001070993993 782757178 /nfs/dbraw/zinc/75/71/78/782757178.db2.gz XSWJZHZUVFPBPH-UHFFFAOYSA-N 1 2 286.332 -2.231 20 0 CAADLO C[C@H]1CN(C(=O)C(N)=O)C[C@@]2(CC[N@H+](CC(N)=O)C2)O1 ZINC001071207611 782758714 /nfs/dbraw/zinc/75/87/14/782758714.db2.gz ZFUYQIJASNSSKZ-UFBFGSQYSA-N 1 2 284.316 -2.351 20 0 CAADLO C[C@H]1CN(C(=O)C(N)=O)C[C@@]2(CC[N@@H+](CC(N)=O)C2)O1 ZINC001071207611 782758718 /nfs/dbraw/zinc/75/87/18/782758718.db2.gz ZFUYQIJASNSSKZ-UFBFGSQYSA-N 1 2 284.316 -2.351 20 0 CAADLO C[C@H]1CN(C(=O)CC(N)=O)C[C@]2(CC[N@H+](CC(N)=O)C2)O1 ZINC001071149584 782758785 /nfs/dbraw/zinc/75/87/85/782758785.db2.gz OLOPPBZOJMGPRR-TVQRCGJNSA-N 1 2 298.343 -1.961 20 0 CAADLO C[C@H]1CN(C(=O)CC(N)=O)C[C@]2(CC[N@@H+](CC(N)=O)C2)O1 ZINC001071149584 782758788 /nfs/dbraw/zinc/75/87/88/782758788.db2.gz OLOPPBZOJMGPRR-TVQRCGJNSA-N 1 2 298.343 -1.961 20 0 CAADLO C[C@@H]1CN(C(=O)C(N)=O)C[C@@]2(CC[N@H+](CC(N)=O)C2)O1 ZINC001071207608 782759162 /nfs/dbraw/zinc/75/91/62/782759162.db2.gz ZFUYQIJASNSSKZ-PELKAZGASA-N 1 2 284.316 -2.351 20 0 CAADLO C[C@@H]1CN(C(=O)C(N)=O)C[C@@]2(CC[N@@H+](CC(N)=O)C2)O1 ZINC001071207608 782759172 /nfs/dbraw/zinc/75/91/72/782759172.db2.gz ZFUYQIJASNSSKZ-PELKAZGASA-N 1 2 284.316 -2.351 20 0 CAADLO C[C@@H]1CN(C(=O)CC(N)=O)C[C@@]2(CC[N@H+](CC(N)=O)C2)O1 ZINC001071149583 782759686 /nfs/dbraw/zinc/75/96/86/782759686.db2.gz OLOPPBZOJMGPRR-RNCFNFMXSA-N 1 2 298.343 -1.961 20 0 CAADLO C[C@@H]1CN(C(=O)CC(N)=O)C[C@@]2(CC[N@@H+](CC(N)=O)C2)O1 ZINC001071149583 782759690 /nfs/dbraw/zinc/75/96/90/782759690.db2.gz OLOPPBZOJMGPRR-RNCFNFMXSA-N 1 2 298.343 -1.961 20 0 CAADLO C[C@H]1CC[C@H](NC(=O)Cn2cnnn2)C[N@@H+]1CC(N)=O ZINC001071340775 782760519 /nfs/dbraw/zinc/76/05/19/782760519.db2.gz UBAFATAHCUEOLV-IUCAKERBSA-N 1 2 281.320 -1.873 20 0 CAADLO C[C@H]1CC[C@H](NC(=O)Cn2cnnn2)C[N@H+]1CC(N)=O ZINC001071340775 782760526 /nfs/dbraw/zinc/76/05/26/782760526.db2.gz UBAFATAHCUEOLV-IUCAKERBSA-N 1 2 281.320 -1.873 20 0 CAADLO CC(=O)N[C@@H]1CC[C@H](C)[N@@H+](CC(=O)N2CCNC(=O)C2)C1 ZINC001071286105 782761369 /nfs/dbraw/zinc/76/13/69/782761369.db2.gz PORKFFJBAXQQDM-CMPLNLGQSA-N 1 2 296.371 -1.066 20 0 CAADLO CC(=O)N[C@@H]1CC[C@H](C)[N@H+](CC(=O)N2CCNC(=O)C2)C1 ZINC001071286105 782761376 /nfs/dbraw/zinc/76/13/76/782761376.db2.gz PORKFFJBAXQQDM-CMPLNLGQSA-N 1 2 296.371 -1.066 20 0 CAADLO C[C@H]1CC[C@@H](NC(=O)Cn2ncnn2)C[N@@H+]1CC(N)=O ZINC001071514466 782763012 /nfs/dbraw/zinc/76/30/12/782763012.db2.gz MQBQZZSLFCVFAJ-DTWKUNHWSA-N 1 2 281.320 -1.873 20 0 CAADLO C[C@H]1CC[C@@H](NC(=O)Cn2ncnn2)C[N@H+]1CC(N)=O ZINC001071514466 782763022 /nfs/dbraw/zinc/76/30/22/782763022.db2.gz MQBQZZSLFCVFAJ-DTWKUNHWSA-N 1 2 281.320 -1.873 20 0 CAADLO C[C@H]1CC[C@H](NC(=O)c2ncn(C)n2)C[N@@H+]1CC(N)=O ZINC001071488749 782763249 /nfs/dbraw/zinc/76/32/49/782763249.db2.gz WEPRGLKNUXPTQB-IUCAKERBSA-N 1 2 280.332 -1.117 20 0 CAADLO C[C@H]1CC[C@H](NC(=O)c2ncn(C)n2)C[N@H+]1CC(N)=O ZINC001071488749 782763255 /nfs/dbraw/zinc/76/32/55/782763255.db2.gz WEPRGLKNUXPTQB-IUCAKERBSA-N 1 2 280.332 -1.117 20 0 CAADLO C[C@H]1CC[C@@H](NC(=O)c2cnnn2C)C[N@@H+]1CC(N)=O ZINC001071482276 782763692 /nfs/dbraw/zinc/76/36/92/782763692.db2.gz WRSYNYQRBBCHCG-DTWKUNHWSA-N 1 2 280.332 -1.117 20 0 CAADLO C[C@H]1CC[C@@H](NC(=O)c2cnnn2C)C[N@H+]1CC(N)=O ZINC001071482276 782763701 /nfs/dbraw/zinc/76/37/01/782763701.db2.gz WRSYNYQRBBCHCG-DTWKUNHWSA-N 1 2 280.332 -1.117 20 0 CAADLO C[C@@H]1CC[C@H](NC(=O)C2CS(=O)(=O)C2)C[N@@H+]1CCO ZINC001071531500 782764788 /nfs/dbraw/zinc/76/47/88/782764788.db2.gz MJHZAHNIZBQTAH-KOLCDFICSA-N 1 2 290.385 -1.008 20 0 CAADLO C[C@@H]1CC[C@H](NC(=O)C2CS(=O)(=O)C2)C[N@H+]1CCO ZINC001071531500 782764798 /nfs/dbraw/zinc/76/47/98/782764798.db2.gz MJHZAHNIZBQTAH-KOLCDFICSA-N 1 2 290.385 -1.008 20 0 CAADLO C[C@@H]1CC[C@H](NC(=O)Cn2nccn2)C[N@@H+]1CC(N)=O ZINC001071538674 782765074 /nfs/dbraw/zinc/76/50/74/782765074.db2.gz HMNGRHZUTQDDDF-ZJUUUORDSA-N 1 2 280.332 -1.268 20 0 CAADLO C[C@@H]1CC[C@H](NC(=O)Cn2nccn2)C[N@H+]1CC(N)=O ZINC001071538674 782765080 /nfs/dbraw/zinc/76/50/80/782765080.db2.gz HMNGRHZUTQDDDF-ZJUUUORDSA-N 1 2 280.332 -1.268 20 0 CAADLO O=C(NC[C@@H]1C[N@@H+]2CCN1CCC2)c1ncn[nH]1 ZINC000394811650 782765891 /nfs/dbraw/zinc/76/58/91/782765891.db2.gz SREUXTFKGKYORW-SECBINFHSA-N 1 2 250.306 -1.076 20 0 CAADLO O=C(NC[C@@H]1C[N@H+]2CCN1CCC2)c1ncn[nH]1 ZINC000394811650 782765899 /nfs/dbraw/zinc/76/58/99/782765899.db2.gz SREUXTFKGKYORW-SECBINFHSA-N 1 2 250.306 -1.076 20 0 CAADLO CNC(=O)C[N@@H+]1C[C@H](NC(=O)c2nnn(C)n2)CC[C@H]1C ZINC001071743542 782767761 /nfs/dbraw/zinc/76/77/61/782767761.db2.gz AENAJUFCCWBBJN-RKDXNWHRSA-N 1 2 295.347 -1.461 20 0 CAADLO CNC(=O)C[N@H+]1C[C@H](NC(=O)c2nnn(C)n2)CC[C@H]1C ZINC001071743542 782767768 /nfs/dbraw/zinc/76/77/68/782767768.db2.gz AENAJUFCCWBBJN-RKDXNWHRSA-N 1 2 295.347 -1.461 20 0 CAADLO C[C@H]1CC[C@@H](NC(=O)c2c[nH]c(=O)cn2)C[N@@H+]1CC(N)=O ZINC001071775764 782767846 /nfs/dbraw/zinc/76/78/46/782767846.db2.gz HUVOCSMBWOAWOT-DTWKUNHWSA-N 1 2 293.327 -1.162 20 0 CAADLO C[C@H]1CC[C@@H](NC(=O)c2c[nH]c(=O)cn2)C[N@H+]1CC(N)=O ZINC001071775764 782767850 /nfs/dbraw/zinc/76/78/50/782767850.db2.gz HUVOCSMBWOAWOT-DTWKUNHWSA-N 1 2 293.327 -1.162 20 0 CAADLO C[C@H]1CC[C@H](NC(=O)c2c[nH]c(=O)cn2)C[N@@H+]1CC(N)=O ZINC001071775765 782767867 /nfs/dbraw/zinc/76/78/67/782767867.db2.gz HUVOCSMBWOAWOT-IUCAKERBSA-N 1 2 293.327 -1.162 20 0 CAADLO C[C@H]1CC[C@H](NC(=O)c2c[nH]c(=O)cn2)C[N@H+]1CC(N)=O ZINC001071775765 782767869 /nfs/dbraw/zinc/76/78/69/782767869.db2.gz HUVOCSMBWOAWOT-IUCAKERBSA-N 1 2 293.327 -1.162 20 0 CAADLO C[C@@H]1CC[C@@H](NC(=O)c2nnn(C)n2)C[N@@H+]1CC(N)=O ZINC001071743895 782767890 /nfs/dbraw/zinc/76/78/90/782767890.db2.gz HETBRNKBSRAASN-HTQZYQBOSA-N 1 2 281.320 -1.722 20 0 CAADLO C[C@@H]1CC[C@@H](NC(=O)c2nnn(C)n2)C[N@H+]1CC(N)=O ZINC001071743895 782767895 /nfs/dbraw/zinc/76/78/95/782767895.db2.gz HETBRNKBSRAASN-HTQZYQBOSA-N 1 2 281.320 -1.722 20 0 CAADLO C[C@H]1CC[C@@H](NC(=O)c2nnn(C)n2)C[N@@H+]1CC(N)=O ZINC001071743896 782767907 /nfs/dbraw/zinc/76/79/07/782767907.db2.gz HETBRNKBSRAASN-JGVFFNPUSA-N 1 2 281.320 -1.722 20 0 CAADLO C[C@H]1CC[C@@H](NC(=O)c2nnn(C)n2)C[N@H+]1CC(N)=O ZINC001071743896 782767911 /nfs/dbraw/zinc/76/79/11/782767911.db2.gz HETBRNKBSRAASN-JGVFFNPUSA-N 1 2 281.320 -1.722 20 0 CAADLO C[C@@H]1CC[C@H](NC(=O)C(N)=O)C[N@@H+]1CC(=O)N1CCC1 ZINC001071779950 782767990 /nfs/dbraw/zinc/76/79/90/782767990.db2.gz RIMKYKWCQOIPCU-ZJUUUORDSA-N 1 2 282.344 -1.327 20 0 CAADLO C[C@@H]1CC[C@H](NC(=O)C(N)=O)C[N@H+]1CC(=O)N1CCC1 ZINC001071779950 782767998 /nfs/dbraw/zinc/76/79/98/782767998.db2.gz RIMKYKWCQOIPCU-ZJUUUORDSA-N 1 2 282.344 -1.327 20 0 CAADLO CNC(=O)C[N@@H+]1C[C@H](NC(=O)C(N)=O)CC[C@H]1C ZINC001071778931 782768662 /nfs/dbraw/zinc/76/86/62/782768662.db2.gz BMZWYELJHYEPDU-HTQZYQBOSA-N 1 2 256.306 -1.813 20 0 CAADLO CNC(=O)C[N@H+]1C[C@H](NC(=O)C(N)=O)CC[C@H]1C ZINC001071778931 782768665 /nfs/dbraw/zinc/76/86/65/782768665.db2.gz BMZWYELJHYEPDU-HTQZYQBOSA-N 1 2 256.306 -1.813 20 0 CAADLO C[C@H]1CC[C@H](NC(=O)C(N)=O)C[N@@H+]1CC(=O)NC1CC1 ZINC001071789126 782769896 /nfs/dbraw/zinc/76/98/96/782769896.db2.gz OTFSDTNJGPMCIH-WPRPVWTQSA-N 1 2 282.344 -1.281 20 0 CAADLO C[C@H]1CC[C@H](NC(=O)C(N)=O)C[N@H+]1CC(=O)NC1CC1 ZINC001071789126 782769898 /nfs/dbraw/zinc/76/98/98/782769898.db2.gz OTFSDTNJGPMCIH-WPRPVWTQSA-N 1 2 282.344 -1.281 20 0 CAADLO C[C@@H]1CC[C@H](NC(=O)C(N)=O)C[N@@H+]1CC(=O)N(C)C ZINC001071787807 782769919 /nfs/dbraw/zinc/76/99/19/782769919.db2.gz DZCZJDSTPUTUHU-BDAKNGLRSA-N 1 2 270.333 -1.471 20 0 CAADLO C[C@@H]1CC[C@H](NC(=O)C(N)=O)C[N@H+]1CC(=O)N(C)C ZINC001071787807 782769922 /nfs/dbraw/zinc/76/99/22/782769922.db2.gz DZCZJDSTPUTUHU-BDAKNGLRSA-N 1 2 270.333 -1.471 20 0 CAADLO C[C@H]1CC[C@H](NC(=O)C(N)=O)C[N@@H+]1CC(=O)N(C)C ZINC001071787814 782769939 /nfs/dbraw/zinc/76/99/39/782769939.db2.gz DZCZJDSTPUTUHU-IUCAKERBSA-N 1 2 270.333 -1.471 20 0 CAADLO C[C@H]1CC[C@H](NC(=O)C(N)=O)C[N@H+]1CC(=O)N(C)C ZINC001071787814 782769941 /nfs/dbraw/zinc/76/99/41/782769941.db2.gz DZCZJDSTPUTUHU-IUCAKERBSA-N 1 2 270.333 -1.471 20 0 CAADLO C[C@@H]1CC[C@H](NC(=O)Cn2cncn2)C[N@@H+]1CC(N)=O ZINC001072051339 782771533 /nfs/dbraw/zinc/77/15/33/782771533.db2.gz HAPWSJQUEDMFLI-ZJUUUORDSA-N 1 2 280.332 -1.268 20 0 CAADLO C[C@@H]1CC[C@H](NC(=O)Cn2cncn2)C[N@H+]1CC(N)=O ZINC001072051339 782771542 /nfs/dbraw/zinc/77/15/42/782771542.db2.gz HAPWSJQUEDMFLI-ZJUUUORDSA-N 1 2 280.332 -1.268 20 0 CAADLO C[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1NC(=O)CC(N)=O ZINC001072602567 782779248 /nfs/dbraw/zinc/77/92/48/782779248.db2.gz JVRHLMPZADBNGK-DTWKUNHWSA-N 1 2 293.327 -1.209 20 0 CAADLO Cn1ncc(C[N@@H+]2CCC3(CN(C(=O)CC(N)=O)C3)C2)n1 ZINC001072565019 782776690 /nfs/dbraw/zinc/77/66/90/782776690.db2.gz FIOVIJZNPXUVDJ-UHFFFAOYSA-N 1 2 292.343 -1.275 20 0 CAADLO Cn1ncc(C[N@H+]2CCC3(CN(C(=O)CC(N)=O)C3)C2)n1 ZINC001072565019 782776693 /nfs/dbraw/zinc/77/66/93/782776693.db2.gz FIOVIJZNPXUVDJ-UHFFFAOYSA-N 1 2 292.343 -1.275 20 0 CAADLO C[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1NC(=O)CC(N)=O ZINC001072602568 782778059 /nfs/dbraw/zinc/77/80/59/782778059.db2.gz JVRHLMPZADBNGK-IUCAKERBSA-N 1 2 293.327 -1.209 20 0 CAADLO NC(=O)C[N@@H+]1CCC2(CN(C(=O)Cc3ccn[nH]3)C2)C1 ZINC001072572088 782778946 /nfs/dbraw/zinc/77/89/46/782778946.db2.gz GXWNECVSZUNHCA-UHFFFAOYSA-N 1 2 277.328 -1.028 20 0 CAADLO NC(=O)C[N@H+]1CCC2(CN(C(=O)Cc3ccn[nH]3)C2)C1 ZINC001072572088 782778951 /nfs/dbraw/zinc/77/89/51/782778951.db2.gz GXWNECVSZUNHCA-UHFFFAOYSA-N 1 2 277.328 -1.028 20 0 CAADLO Cn1cc(C[N@@H+]2CCC3(CN(C(=O)CC(N)=O)C3)C2)nn1 ZINC001072565770 782779121 /nfs/dbraw/zinc/77/91/21/782779121.db2.gz KVPORRFUSXAFKA-UHFFFAOYSA-N 1 2 292.343 -1.275 20 0 CAADLO Cn1cc(C[N@H+]2CCC3(CN(C(=O)CC(N)=O)C3)C2)nn1 ZINC001072565770 782779130 /nfs/dbraw/zinc/77/91/30/782779130.db2.gz KVPORRFUSXAFKA-UHFFFAOYSA-N 1 2 292.343 -1.275 20 0 CAADLO C[C@@H]1CN(C(=O)C(N)=O)C[C@@H]1NC(=O)CCc1[nH]cc[nH+]1 ZINC001072645842 782781080 /nfs/dbraw/zinc/78/10/80/782781080.db2.gz DHNRZMHKBSZRLJ-BDAKNGLRSA-N 1 2 293.327 -1.209 20 0 CAADLO C[C@@H]1CN(C(=O)C(N)=O)C[C@H]1NC(=O)CCc1[nH]cc[nH+]1 ZINC001072645846 782781205 /nfs/dbraw/zinc/78/12/05/782781205.db2.gz DHNRZMHKBSZRLJ-RKDXNWHRSA-N 1 2 293.327 -1.209 20 0 CAADLO C[C@H]1CN(C(=O)C(N)=O)C[C@@H]1NC(=O)CCc1[nH]cc[nH+]1 ZINC001072645844 782781433 /nfs/dbraw/zinc/78/14/33/782781433.db2.gz DHNRZMHKBSZRLJ-IUCAKERBSA-N 1 2 293.327 -1.209 20 0 CAADLO Cn1cnnc1C[N@@H+]1CCC2(CN(C(=O)C(N)=O)C2)C1 ZINC001072934602 782786243 /nfs/dbraw/zinc/78/62/43/782786243.db2.gz MCTCMLAGLHYYTR-UHFFFAOYSA-N 1 2 278.316 -1.665 20 0 CAADLO Cn1cnnc1C[N@H+]1CCC2(CN(C(=O)C(N)=O)C2)C1 ZINC001072934602 782786247 /nfs/dbraw/zinc/78/62/47/782786247.db2.gz MCTCMLAGLHYYTR-UHFFFAOYSA-N 1 2 278.316 -1.665 20 0 CAADLO Cn1cc(C[N@@H+]2CCC3(CN(C(=O)C(N)=O)C3)C2)nn1 ZINC001072936216 782786937 /nfs/dbraw/zinc/78/69/37/782786937.db2.gz VINNIMCXKHRSLT-UHFFFAOYSA-N 1 2 278.316 -1.665 20 0 CAADLO Cn1cc(C[N@H+]2CCC3(CN(C(=O)C(N)=O)C3)C2)nn1 ZINC001072936216 782786947 /nfs/dbraw/zinc/78/69/47/782786947.db2.gz VINNIMCXKHRSLT-UHFFFAOYSA-N 1 2 278.316 -1.665 20 0 CAADLO NC(=O)C(=O)N1CC2(C1)CC[N@H+](Cc1ncccn1)C2 ZINC001072934657 782787168 /nfs/dbraw/zinc/78/71/68/782787168.db2.gz OPHRXEBVZVLZLH-UHFFFAOYSA-N 1 2 275.312 -1.004 20 0 CAADLO NC(=O)C(=O)N1CC2(C1)CC[N@@H+](Cc1ncccn1)C2 ZINC001072934657 782787178 /nfs/dbraw/zinc/78/71/78/782787178.db2.gz OPHRXEBVZVLZLH-UHFFFAOYSA-N 1 2 275.312 -1.004 20 0 CAADLO Cn1cc(C(=O)NC[C@@H]2C[N@H+](CC(N)=O)CCCO2)cn1 ZINC001073530003 782792151 /nfs/dbraw/zinc/79/21/51/782792151.db2.gz FXMHBINAHPUKSC-LLVKDONJSA-N 1 2 295.343 -1.274 20 0 CAADLO Cn1cc(C(=O)NC[C@@H]2C[N@@H+](CC(N)=O)CCCO2)cn1 ZINC001073530003 782792160 /nfs/dbraw/zinc/79/21/60/782792160.db2.gz FXMHBINAHPUKSC-LLVKDONJSA-N 1 2 295.343 -1.274 20 0 CAADLO NC(=O)C[N@@H+]1CCCO[C@@H](CNC(=O)c2ccon2)C1 ZINC001073541727 782791675 /nfs/dbraw/zinc/79/16/75/782791675.db2.gz WSSRATDQYNTIQY-VIFPVBQESA-N 1 2 282.300 -1.019 20 0 CAADLO NC(=O)C[N@H+]1CCCO[C@@H](CNC(=O)c2ccon2)C1 ZINC001073541727 782791679 /nfs/dbraw/zinc/79/16/79/782791679.db2.gz WSSRATDQYNTIQY-VIFPVBQESA-N 1 2 282.300 -1.019 20 0 CAADLO CNC(=O)C[N@@H+]1CCCO[C@H](CNC(=O)c2ccn[nH]2)C1 ZINC001073543775 782791691 /nfs/dbraw/zinc/79/16/91/782791691.db2.gz OVNJBBOIXAXLSG-SNVBAGLBSA-N 1 2 295.343 -1.024 20 0 CAADLO CNC(=O)C[N@H+]1CCCO[C@H](CNC(=O)c2ccn[nH]2)C1 ZINC001073543775 782791695 /nfs/dbraw/zinc/79/16/95/782791695.db2.gz OVNJBBOIXAXLSG-SNVBAGLBSA-N 1 2 295.343 -1.024 20 0 CAADLO CNC(=O)C[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCOC2)C1 ZINC001073546028 782791762 /nfs/dbraw/zinc/79/17/62/782791762.db2.gz XRKWSNGEQLJBCD-NEPJUHHUSA-N 1 2 299.371 -1.024 20 0 CAADLO CNC(=O)C[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCOC2)C1 ZINC001073546028 782791767 /nfs/dbraw/zinc/79/17/67/782791767.db2.gz XRKWSNGEQLJBCD-NEPJUHHUSA-N 1 2 299.371 -1.024 20 0 CAADLO NC(=O)C[N@@H+]1CCCO[C@@H](CNC(=O)c2cnns2)C1 ZINC001073547211 782791901 /nfs/dbraw/zinc/79/19/01/782791901.db2.gz CULXMYLUBLOEOB-QMMMGPOBSA-N 1 2 299.356 -1.156 20 0 CAADLO NC(=O)C[N@H+]1CCCO[C@@H](CNC(=O)c2cnns2)C1 ZINC001073547211 782791905 /nfs/dbraw/zinc/79/19/05/782791905.db2.gz CULXMYLUBLOEOB-QMMMGPOBSA-N 1 2 299.356 -1.156 20 0 CAADLO Cn1nccc1C(=O)NC[C@@H]1C[N@H+](CC(N)=O)CCCO1 ZINC001073554475 782792069 /nfs/dbraw/zinc/79/20/69/782792069.db2.gz ILHLQUCILXHYFC-SNVBAGLBSA-N 1 2 295.343 -1.274 20 0 CAADLO Cn1nccc1C(=O)NC[C@@H]1C[N@@H+](CC(N)=O)CCCO1 ZINC001073554475 782792073 /nfs/dbraw/zinc/79/20/73/782792073.db2.gz ILHLQUCILXHYFC-SNVBAGLBSA-N 1 2 295.343 -1.274 20 0 CAADLO NC(=O)C[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001073751924 782798380 /nfs/dbraw/zinc/79/83/80/782798380.db2.gz LGALTSRGQNXFAO-BDAKNGLRSA-N 1 2 299.331 -2.640 20 0 CAADLO NC(=O)C[N@@H+]1CCCO[C@H](CNC(=O)c2cn[nH]c2)C1 ZINC001073545909 782792688 /nfs/dbraw/zinc/79/26/88/782792688.db2.gz UOMFXVJOHNRMKT-SNVBAGLBSA-N 1 2 281.316 -1.284 20 0 CAADLO NC(=O)C[N@H+]1CCCO[C@H](CNC(=O)c2cn[nH]c2)C1 ZINC001073545909 782792691 /nfs/dbraw/zinc/79/26/91/782792691.db2.gz UOMFXVJOHNRMKT-SNVBAGLBSA-N 1 2 281.316 -1.284 20 0 CAADLO CNC(=O)C[N@@H+]1CCCO[C@H](CNC(=O)c2cn[nH]c2)C1 ZINC001073545164 782792720 /nfs/dbraw/zinc/79/27/20/782792720.db2.gz MAJFTPUFHWLSJF-LLVKDONJSA-N 1 2 295.343 -1.024 20 0 CAADLO CNC(=O)C[N@H+]1CCCO[C@H](CNC(=O)c2cn[nH]c2)C1 ZINC001073545164 782792722 /nfs/dbraw/zinc/79/27/22/782792722.db2.gz MAJFTPUFHWLSJF-LLVKDONJSA-N 1 2 295.343 -1.024 20 0 CAADLO NC(=O)C[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCOC2)C1 ZINC001073550266 782792751 /nfs/dbraw/zinc/79/27/51/782792751.db2.gz HPLSIRFJOXLAII-QWRGUYRKSA-N 1 2 285.344 -1.285 20 0 CAADLO NC(=O)C[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCOC2)C1 ZINC001073550266 782792756 /nfs/dbraw/zinc/79/27/56/782792756.db2.gz HPLSIRFJOXLAII-QWRGUYRKSA-N 1 2 285.344 -1.285 20 0 CAADLO NC(=O)C[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCOC2)C1 ZINC001073550265 782793012 /nfs/dbraw/zinc/79/30/12/782793012.db2.gz HPLSIRFJOXLAII-MNOVXSKESA-N 1 2 285.344 -1.285 20 0 CAADLO NC(=O)C[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCOC2)C1 ZINC001073550265 782793017 /nfs/dbraw/zinc/79/30/17/782793017.db2.gz HPLSIRFJOXLAII-MNOVXSKESA-N 1 2 285.344 -1.285 20 0 CAADLO Cn1nccc1C(=O)NC[C@H]1C[N@H+](CC(N)=O)CCCO1 ZINC001073554474 782793348 /nfs/dbraw/zinc/79/33/48/782793348.db2.gz ILHLQUCILXHYFC-JTQLQIEISA-N 1 2 295.343 -1.274 20 0 CAADLO Cn1nccc1C(=O)NC[C@H]1C[N@@H+](CC(N)=O)CCCO1 ZINC001073554474 782793351 /nfs/dbraw/zinc/79/33/51/782793351.db2.gz ILHLQUCILXHYFC-JTQLQIEISA-N 1 2 295.343 -1.274 20 0 CAADLO NC(=O)C[N@@H+]1CCCO[C@H](CNC(=O)c2cnsn2)C1 ZINC001073541732 782793360 /nfs/dbraw/zinc/79/33/60/782793360.db2.gz WVGWOMWGMSVCIP-MRVPVSSYSA-N 1 2 299.356 -1.156 20 0 CAADLO NC(=O)C[N@H+]1CCCO[C@H](CNC(=O)c2cnsn2)C1 ZINC001073541732 782793368 /nfs/dbraw/zinc/79/33/68/782793368.db2.gz WVGWOMWGMSVCIP-MRVPVSSYSA-N 1 2 299.356 -1.156 20 0 CAADLO NC(=O)C[N@@H+]1CCCO[C@H](CNC(=O)c2cncnc2)C1 ZINC001073582549 782793984 /nfs/dbraw/zinc/79/39/84/782793984.db2.gz OKXUMYWVDYIJPB-LLVKDONJSA-N 1 2 293.327 -1.217 20 0 CAADLO NC(=O)C[N@H+]1CCCO[C@H](CNC(=O)c2cncnc2)C1 ZINC001073582549 782793990 /nfs/dbraw/zinc/79/39/90/782793990.db2.gz OKXUMYWVDYIJPB-LLVKDONJSA-N 1 2 293.327 -1.217 20 0 CAADLO Cn1cnc(C(=O)NC[C@H]2C[N@H+](CC(N)=O)CCCO2)n1 ZINC001073593587 782794169 /nfs/dbraw/zinc/79/41/69/782794169.db2.gz SEKFCTXYIZTAHB-VIFPVBQESA-N 1 2 296.331 -1.879 20 0 CAADLO Cn1cnc(C(=O)NC[C@H]2C[N@@H+](CC(N)=O)CCCO2)n1 ZINC001073593587 782794177 /nfs/dbraw/zinc/79/41/77/782794177.db2.gz SEKFCTXYIZTAHB-VIFPVBQESA-N 1 2 296.331 -1.879 20 0 CAADLO Cn1nncc1C(=O)NC[C@H]1C[N@H+](CC(N)=O)CCCO1 ZINC001073590193 782794734 /nfs/dbraw/zinc/79/47/34/782794734.db2.gz ZHENOKYWQNFVET-VIFPVBQESA-N 1 2 296.331 -1.879 20 0 CAADLO Cn1nncc1C(=O)NC[C@H]1C[N@@H+](CC(N)=O)CCCO1 ZINC001073590193 782794742 /nfs/dbraw/zinc/79/47/42/782794742.db2.gz ZHENOKYWQNFVET-VIFPVBQESA-N 1 2 296.331 -1.879 20 0 CAADLO Cn1cnc(C(=O)NC[C@@H]2C[N@H+](CC(N)=O)CCCO2)n1 ZINC001073593586 782795124 /nfs/dbraw/zinc/79/51/24/782795124.db2.gz SEKFCTXYIZTAHB-SECBINFHSA-N 1 2 296.331 -1.879 20 0 CAADLO Cn1cnc(C(=O)NC[C@@H]2C[N@@H+](CC(N)=O)CCCO2)n1 ZINC001073593586 782795127 /nfs/dbraw/zinc/79/51/27/782795127.db2.gz SEKFCTXYIZTAHB-SECBINFHSA-N 1 2 296.331 -1.879 20 0 CAADLO CNC(=O)C[N@@H+]1CCCO[C@@H](CNC(=O)c2ncc[nH]2)C1 ZINC001073601272 782795135 /nfs/dbraw/zinc/79/51/35/782795135.db2.gz LASWGQYCWJOEKE-JTQLQIEISA-N 1 2 295.343 -1.024 20 0 CAADLO CNC(=O)C[N@H+]1CCCO[C@@H](CNC(=O)c2ncc[nH]2)C1 ZINC001073601272 782795138 /nfs/dbraw/zinc/79/51/38/782795138.db2.gz LASWGQYCWJOEKE-JTQLQIEISA-N 1 2 295.343 -1.024 20 0 CAADLO NC(=O)C[N@@H+]1CCCO[C@@H](CNC(=O)[C@]23C[C@H]2COC3)C1 ZINC001073613549 782795146 /nfs/dbraw/zinc/79/51/46/782795146.db2.gz KMBVWGUHURZCBK-MJVIPROJSA-N 1 2 297.355 -1.285 20 0 CAADLO NC(=O)C[N@H+]1CCCO[C@@H](CNC(=O)[C@]23C[C@H]2COC3)C1 ZINC001073613549 782795150 /nfs/dbraw/zinc/79/51/50/782795150.db2.gz KMBVWGUHURZCBK-MJVIPROJSA-N 1 2 297.355 -1.285 20 0 CAADLO Cn1cncc1C(=O)NC[C@@H]1C[N@H+](CC(N)=O)CCCO1 ZINC001073684772 782795791 /nfs/dbraw/zinc/79/57/91/782795791.db2.gz ZYUFNXCIYVPAAF-SNVBAGLBSA-N 1 2 295.343 -1.274 20 0 CAADLO Cn1cncc1C(=O)NC[C@@H]1C[N@@H+](CC(N)=O)CCCO1 ZINC001073684772 782795800 /nfs/dbraw/zinc/79/58/00/782795800.db2.gz ZYUFNXCIYVPAAF-SNVBAGLBSA-N 1 2 295.343 -1.274 20 0 CAADLO Cn1cncc1C(=O)NC[C@H]1C[N@H+](CC(N)=O)CCCO1 ZINC001073684771 782796035 /nfs/dbraw/zinc/79/60/35/782796035.db2.gz ZYUFNXCIYVPAAF-JTQLQIEISA-N 1 2 295.343 -1.274 20 0 CAADLO Cn1cncc1C(=O)NC[C@H]1C[N@@H+](CC(N)=O)CCCO1 ZINC001073684771 782796042 /nfs/dbraw/zinc/79/60/42/782796042.db2.gz ZYUFNXCIYVPAAF-JTQLQIEISA-N 1 2 295.343 -1.274 20 0 CAADLO NC(=O)C[N@@H+]1CCCO[C@H](CNC(=O)c2csnn2)C1 ZINC001073713426 782796090 /nfs/dbraw/zinc/79/60/90/782796090.db2.gz AZESKJKNPYQTJF-MRVPVSSYSA-N 1 2 299.356 -1.156 20 0 CAADLO NC(=O)C[N@H+]1CCCO[C@H](CNC(=O)c2csnn2)C1 ZINC001073713426 782796099 /nfs/dbraw/zinc/79/60/99/782796099.db2.gz AZESKJKNPYQTJF-MRVPVSSYSA-N 1 2 299.356 -1.156 20 0 CAADLO NC(=O)C[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCNC2=O)C1 ZINC001073726180 782796444 /nfs/dbraw/zinc/79/64/44/782796444.db2.gz FYGUUUZOURZRKH-NXEZZACHSA-N 1 2 298.343 -2.185 20 0 CAADLO NC(=O)C[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCNC2=O)C1 ZINC001073726180 782796446 /nfs/dbraw/zinc/79/64/46/782796446.db2.gz FYGUUUZOURZRKH-NXEZZACHSA-N 1 2 298.343 -2.185 20 0 CAADLO NC(=O)C[N@@H+]1CCCO[C@H](CNC(=O)c2cnco2)C1 ZINC001073717018 782796628 /nfs/dbraw/zinc/79/66/28/782796628.db2.gz SYEYQFQZJAJQRZ-SECBINFHSA-N 1 2 282.300 -1.019 20 0 CAADLO NC(=O)C[N@H+]1CCCO[C@H](CNC(=O)c2cnco2)C1 ZINC001073717018 782796634 /nfs/dbraw/zinc/79/66/34/782796634.db2.gz SYEYQFQZJAJQRZ-SECBINFHSA-N 1 2 282.300 -1.019 20 0 CAADLO NC(=O)C[N@@H+]1CCCO[C@@H](CNC(=O)c2ccnnc2)C1 ZINC001073791292 782798681 /nfs/dbraw/zinc/79/86/81/782798681.db2.gz FDQXJOHYQSECLN-NSHDSACASA-N 1 2 293.327 -1.217 20 0 CAADLO NC(=O)C[N@H+]1CCCO[C@@H](CNC(=O)c2ccnnc2)C1 ZINC001073791292 782798688 /nfs/dbraw/zinc/79/86/88/782798688.db2.gz FDQXJOHYQSECLN-NSHDSACASA-N 1 2 293.327 -1.217 20 0 CAADLO NC(=O)C[N@@H+]1CCCO[C@H](CNC(=O)c2ccncn2)C1 ZINC001073825398 782797584 /nfs/dbraw/zinc/79/75/84/782797584.db2.gz LVZOMYCZJOTCTQ-SNVBAGLBSA-N 1 2 293.327 -1.217 20 0 CAADLO NC(=O)C[N@H+]1CCCO[C@H](CNC(=O)c2ccncn2)C1 ZINC001073825398 782797590 /nfs/dbraw/zinc/79/75/90/782797590.db2.gz LVZOMYCZJOTCTQ-SNVBAGLBSA-N 1 2 293.327 -1.217 20 0 CAADLO NC(=O)C[N@@H+]1CCCO[C@H](CNC(=O)c2n[nH]cc2F)C1 ZINC001073758458 782797785 /nfs/dbraw/zinc/79/77/85/782797785.db2.gz NJTXQUXEYGCDTA-MRVPVSSYSA-N 1 2 299.306 -1.145 20 0 CAADLO NC(=O)C[N@H+]1CCCO[C@H](CNC(=O)c2n[nH]cc2F)C1 ZINC001073758458 782797786 /nfs/dbraw/zinc/79/77/86/782797786.db2.gz NJTXQUXEYGCDTA-MRVPVSSYSA-N 1 2 299.306 -1.145 20 0 CAADLO NC(=O)C[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001073751924 782798370 /nfs/dbraw/zinc/79/83/70/782798370.db2.gz LGALTSRGQNXFAO-BDAKNGLRSA-N 1 2 299.331 -2.640 20 0 CAADLO NC(=O)C[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001073751925 782798828 /nfs/dbraw/zinc/79/88/28/782798828.db2.gz LGALTSRGQNXFAO-DTWKUNHWSA-N 1 2 299.331 -2.640 20 0 CAADLO NC(=O)C[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001073751925 782798835 /nfs/dbraw/zinc/79/88/35/782798835.db2.gz LGALTSRGQNXFAO-DTWKUNHWSA-N 1 2 299.331 -2.640 20 0 CAADLO NC(=O)C[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001073751927 782799028 /nfs/dbraw/zinc/79/90/28/782799028.db2.gz LGALTSRGQNXFAO-RKDXNWHRSA-N 1 2 299.331 -2.640 20 0 CAADLO NC(=O)C[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001073751927 782799032 /nfs/dbraw/zinc/79/90/32/782799032.db2.gz LGALTSRGQNXFAO-RKDXNWHRSA-N 1 2 299.331 -2.640 20 0 CAADLO NC(=O)C[N@@H+]1CCCO[C@@H](CNC(=O)c2ccncn2)C1 ZINC001073825397 782799053 /nfs/dbraw/zinc/79/90/53/782799053.db2.gz LVZOMYCZJOTCTQ-JTQLQIEISA-N 1 2 293.327 -1.217 20 0 CAADLO NC(=O)C[N@H+]1CCCO[C@@H](CNC(=O)c2ccncn2)C1 ZINC001073825397 782799057 /nfs/dbraw/zinc/79/90/57/782799057.db2.gz LVZOMYCZJOTCTQ-JTQLQIEISA-N 1 2 293.327 -1.217 20 0 CAADLO NC(=O)C[N@@H+]1CCCO[C@@H](CNC(=O)c2ncccn2)C1 ZINC001073830723 782799718 /nfs/dbraw/zinc/79/97/18/782799718.db2.gz NOXWGDOLULCJBU-JTQLQIEISA-N 1 2 293.327 -1.217 20 0 CAADLO NC(=O)C[N@H+]1CCCO[C@@H](CNC(=O)c2ncccn2)C1 ZINC001073830723 782799723 /nfs/dbraw/zinc/79/97/23/782799723.db2.gz NOXWGDOLULCJBU-JTQLQIEISA-N 1 2 293.327 -1.217 20 0 CAADLO CNC(=O)C[N@@H+]1CCCO[C@@H](CNC(=O)c2cnon2)C1 ZINC001073828456 782799856 /nfs/dbraw/zinc/79/98/56/782799856.db2.gz VFYCJOJECXQVTR-VIFPVBQESA-N 1 2 297.315 -1.364 20 0 CAADLO CNC(=O)C[N@H+]1CCCO[C@@H](CNC(=O)c2cnon2)C1 ZINC001073828456 782799860 /nfs/dbraw/zinc/79/98/60/782799860.db2.gz VFYCJOJECXQVTR-VIFPVBQESA-N 1 2 297.315 -1.364 20 0 CAADLO NC(=O)C[N@@H+]1CCCO[C@H](CNC(=O)c2cccnn2)C1 ZINC001073832418 782800649 /nfs/dbraw/zinc/80/06/49/782800649.db2.gz NEEZTBLDJRDUCO-SNVBAGLBSA-N 1 2 293.327 -1.217 20 0 CAADLO NC(=O)C[N@H+]1CCCO[C@H](CNC(=O)c2cccnn2)C1 ZINC001073832418 782800654 /nfs/dbraw/zinc/80/06/54/782800654.db2.gz NEEZTBLDJRDUCO-SNVBAGLBSA-N 1 2 293.327 -1.217 20 0 CAADLO NC(=O)C[N@@H+]1CCCO[C@@H](CNC(=O)c2cnon2)C1 ZINC001073828462 782800856 /nfs/dbraw/zinc/80/08/56/782800856.db2.gz VMACWAZYQGLEBK-QMMMGPOBSA-N 1 2 283.288 -1.624 20 0 CAADLO NC(=O)C[N@H+]1CCCO[C@@H](CNC(=O)c2cnon2)C1 ZINC001073828462 782800862 /nfs/dbraw/zinc/80/08/62/782800862.db2.gz VMACWAZYQGLEBK-QMMMGPOBSA-N 1 2 283.288 -1.624 20 0 CAADLO NC(=O)C[N@@H+]1CCCO[C@@H](CNC(=O)c2cccnn2)C1 ZINC001073832417 782800908 /nfs/dbraw/zinc/80/09/08/782800908.db2.gz NEEZTBLDJRDUCO-JTQLQIEISA-N 1 2 293.327 -1.217 20 0 CAADLO NC(=O)C[N@H+]1CCCO[C@@H](CNC(=O)c2cccnn2)C1 ZINC001073832417 782800913 /nfs/dbraw/zinc/80/09/13/782800913.db2.gz NEEZTBLDJRDUCO-JTQLQIEISA-N 1 2 293.327 -1.217 20 0 CAADLO CNC(=O)C[N@@H+]1CCCO[C@H](CNC(=O)c2cnon2)C1 ZINC001073828455 782801075 /nfs/dbraw/zinc/80/10/75/782801075.db2.gz VFYCJOJECXQVTR-SECBINFHSA-N 1 2 297.315 -1.364 20 0 CAADLO CNC(=O)C[N@H+]1CCCO[C@H](CNC(=O)c2cnon2)C1 ZINC001073828455 782801079 /nfs/dbraw/zinc/80/10/79/782801079.db2.gz VFYCJOJECXQVTR-SECBINFHSA-N 1 2 297.315 -1.364 20 0 CAADLO CC[N@@H+]1CCO[C@@H]2CCN(C(=O)Cn3cnnn3)C[C@H]21 ZINC001074159177 782801947 /nfs/dbraw/zinc/80/19/47/782801947.db2.gz AGESCQVLIXSDJY-GHMZBOCLSA-N 1 2 280.332 -1.005 20 0 CAADLO CC[N@H+]1CCO[C@@H]2CCN(C(=O)Cn3cnnn3)C[C@H]21 ZINC001074159177 782801955 /nfs/dbraw/zinc/80/19/55/782801955.db2.gz AGESCQVLIXSDJY-GHMZBOCLSA-N 1 2 280.332 -1.005 20 0 CAADLO NC(=O)CC(=O)N1CC[C@H]2OCC[N@H+](CCO)[C@@H]2C1 ZINC001074197271 782803490 /nfs/dbraw/zinc/80/34/90/782803490.db2.gz UTVZCEOXDKWVKY-NXEZZACHSA-N 1 2 271.317 -1.844 20 0 CAADLO NC(=O)CC(=O)N1CC[C@H]2OCC[N@@H+](CCO)[C@@H]2C1 ZINC001074197271 782803495 /nfs/dbraw/zinc/80/34/95/782803495.db2.gz UTVZCEOXDKWVKY-NXEZZACHSA-N 1 2 271.317 -1.844 20 0 CAADLO CC[N@@H+]1CCO[C@@H]2CCN(C(=O)Cn3ncnn3)C[C@H]21 ZINC001074242167 782803610 /nfs/dbraw/zinc/80/36/10/782803610.db2.gz TVJRHAIATPTKBE-GHMZBOCLSA-N 1 2 280.332 -1.005 20 0 CAADLO CC[N@H+]1CCO[C@@H]2CCN(C(=O)Cn3ncnn3)C[C@H]21 ZINC001074242167 782803617 /nfs/dbraw/zinc/80/36/17/782803617.db2.gz TVJRHAIATPTKBE-GHMZBOCLSA-N 1 2 280.332 -1.005 20 0 CAADLO O=C(Cn1nccn1)N1CC[C@@H]2OCC[N@@H+](CCO)[C@@H]2C1 ZINC001074256827 782804486 /nfs/dbraw/zinc/80/44/86/782804486.db2.gz WJKKWLMHIISTSN-NEPJUHHUSA-N 1 2 295.343 -1.428 20 0 CAADLO O=C(Cn1nccn1)N1CC[C@@H]2OCC[N@H+](CCO)[C@@H]2C1 ZINC001074256827 782804492 /nfs/dbraw/zinc/80/44/92/782804492.db2.gz WJKKWLMHIISTSN-NEPJUHHUSA-N 1 2 295.343 -1.428 20 0 CAADLO O=C(Cn1nccn1)N1CC[C@@H]2OCC[N@@H+](CCO)[C@H]2C1 ZINC001074256829 782804810 /nfs/dbraw/zinc/80/48/10/782804810.db2.gz WJKKWLMHIISTSN-RYUDHWBXSA-N 1 2 295.343 -1.428 20 0 CAADLO O=C(Cn1nccn1)N1CC[C@@H]2OCC[N@H+](CCO)[C@H]2C1 ZINC001074256829 782804815 /nfs/dbraw/zinc/80/48/15/782804815.db2.gz WJKKWLMHIISTSN-RYUDHWBXSA-N 1 2 295.343 -1.428 20 0 CAADLO O=C(Cc1nnc[nH]1)N1CC[C@H]2OCC[N@@H+](CCO)[C@@H]2C1 ZINC001074380847 782805048 /nfs/dbraw/zinc/80/50/48/782805048.db2.gz VNNGBBKZVNYMOX-GHMZBOCLSA-N 1 2 295.343 -1.359 20 0 CAADLO O=C(Cc1nnc[nH]1)N1CC[C@H]2OCC[N@H+](CCO)[C@@H]2C1 ZINC001074380847 782805055 /nfs/dbraw/zinc/80/50/55/782805055.db2.gz VNNGBBKZVNYMOX-GHMZBOCLSA-N 1 2 295.343 -1.359 20 0 CAADLO O=C(Cc1nnc[nH]1)N1CC[C@@H]2OCC[N@@H+](CCO)[C@@H]2C1 ZINC001074380848 782805505 /nfs/dbraw/zinc/80/55/05/782805505.db2.gz VNNGBBKZVNYMOX-MNOVXSKESA-N 1 2 295.343 -1.359 20 0 CAADLO O=C(Cc1nnc[nH]1)N1CC[C@@H]2OCC[N@H+](CCO)[C@@H]2C1 ZINC001074380848 782805513 /nfs/dbraw/zinc/80/55/13/782805513.db2.gz VNNGBBKZVNYMOX-MNOVXSKESA-N 1 2 295.343 -1.359 20 0 CAADLO O=C(Cn1cncn1)N1CC[C@@H]2OCC[N@@H+](CCO)[C@H]2C1 ZINC001074399835 782805542 /nfs/dbraw/zinc/80/55/42/782805542.db2.gz KSMDHQJLRPMLPK-RYUDHWBXSA-N 1 2 295.343 -1.428 20 0 CAADLO O=C(Cn1cncn1)N1CC[C@@H]2OCC[N@H+](CCO)[C@H]2C1 ZINC001074399835 782805548 /nfs/dbraw/zinc/80/55/48/782805548.db2.gz KSMDHQJLRPMLPK-RYUDHWBXSA-N 1 2 295.343 -1.428 20 0 CAADLO C[C@H]1[C@@H]([NH2+][C@H]2CCNC2=O)CCN1C(=O)Cc1ncn[nH]1 ZINC001075028478 782814784 /nfs/dbraw/zinc/81/47/84/782814784.db2.gz SXRRNOWCGWZKCK-GUBZILKMSA-N 1 2 292.343 -1.185 20 0 CAADLO C[C@H]1[C@@H]([NH2+][C@@H]2CCNC2=O)CCN1C(=O)Cc1ncn[nH]1 ZINC001075028479 782814851 /nfs/dbraw/zinc/81/48/51/782814851.db2.gz SXRRNOWCGWZKCK-LPEHRKFASA-N 1 2 292.343 -1.185 20 0 CAADLO CCC(=O)N[C@H]1CC[N@H+](CC(=O)NC(=O)NC)C[C@H]1O ZINC001099604884 782820223 /nfs/dbraw/zinc/82/02/23/782820223.db2.gz DHNVIPXJQIJXCX-DTWKUNHWSA-N 1 2 286.332 -1.597 20 0 CAADLO CCC(=O)N[C@H]1CC[N@@H+](CC(=O)NC(=O)NC)C[C@H]1O ZINC001099604884 782820234 /nfs/dbraw/zinc/82/02/34/782820234.db2.gz DHNVIPXJQIJXCX-DTWKUNHWSA-N 1 2 286.332 -1.597 20 0 CAADLO NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1cncn1)C2 ZINC001098338415 782817397 /nfs/dbraw/zinc/81/73/97/782817397.db2.gz VTTYNJGGIJNYRE-BBBLOLIVSA-N 1 2 278.316 -1.515 20 0 CAADLO NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1cncn1)C2 ZINC001098338415 782817407 /nfs/dbraw/zinc/81/74/07/782817407.db2.gz VTTYNJGGIJNYRE-BBBLOLIVSA-N 1 2 278.316 -1.515 20 0 CAADLO CNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC(=O)N1)C2 ZINC001098243266 782818064 /nfs/dbraw/zinc/81/80/64/782818064.db2.gz JWDSVYDEEKWDFO-YTWAJWBKSA-N 1 2 294.355 -1.268 20 0 CAADLO CNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC(=O)N1)C2 ZINC001098243266 782818068 /nfs/dbraw/zinc/81/80/68/782818068.db2.gz JWDSVYDEEKWDFO-YTWAJWBKSA-N 1 2 294.355 -1.268 20 0 CAADLO CC(=O)N[C@@H]1CC[N@H+](CC(=O)NC(N)=O)C[C@H]1O ZINC001099607242 782819095 /nfs/dbraw/zinc/81/90/95/782819095.db2.gz KFZARBRDTRPTQP-HTQZYQBOSA-N 1 2 258.278 -2.247 20 0 CAADLO CC(=O)N[C@@H]1CC[N@@H+](CC(=O)NC(N)=O)C[C@H]1O ZINC001099607242 782819101 /nfs/dbraw/zinc/81/91/01/782819101.db2.gz KFZARBRDTRPTQP-HTQZYQBOSA-N 1 2 258.278 -2.247 20 0 CAADLO NC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cc2nnc[nH]2)C1 ZINC001099113419 782819323 /nfs/dbraw/zinc/81/93/23/782819323.db2.gz OHJDRVTXYMJFKO-ZANVPECISA-N 1 2 292.343 -1.197 20 0 CAADLO NC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cc2nnc[nH]2)C1 ZINC001099113419 782819329 /nfs/dbraw/zinc/81/93/29/782819329.db2.gz OHJDRVTXYMJFKO-ZANVPECISA-N 1 2 292.343 -1.197 20 0 CAADLO CNC(=O)NC(=O)C[N@@H+]1CC[C@@H](NC(=O)C2CC2)[C@H](O)C1 ZINC001099606645 782819489 /nfs/dbraw/zinc/81/94/89/782819489.db2.gz AJKOWWGNKCKUSE-NXEZZACHSA-N 1 2 298.343 -1.597 20 0 CAADLO CNC(=O)NC(=O)C[N@H+]1CC[C@@H](NC(=O)C2CC2)[C@H](O)C1 ZINC001099606645 782819495 /nfs/dbraw/zinc/81/94/95/782819495.db2.gz AJKOWWGNKCKUSE-NXEZZACHSA-N 1 2 298.343 -1.597 20 0 CAADLO CNC(=O)NC(=O)C[N@@H+]1CC[C@H](NC(=O)C2CC2)[C@@H](O)C1 ZINC001099606646 782819687 /nfs/dbraw/zinc/81/96/87/782819687.db2.gz AJKOWWGNKCKUSE-UWVGGRQHSA-N 1 2 298.343 -1.597 20 0 CAADLO CNC(=O)NC(=O)C[N@H+]1CC[C@H](NC(=O)C2CC2)[C@@H](O)C1 ZINC001099606646 782819693 /nfs/dbraw/zinc/81/96/93/782819693.db2.gz AJKOWWGNKCKUSE-UWVGGRQHSA-N 1 2 298.343 -1.597 20 0 CAADLO CCC(=O)N[C@@H]1CC[N@H+](CC(=O)NC(N)=O)C[C@H]1O ZINC001099605429 782819820 /nfs/dbraw/zinc/81/98/20/782819820.db2.gz XMYXRNQGMHWFRO-HTQZYQBOSA-N 1 2 272.305 -1.857 20 0 CAADLO CCC(=O)N[C@@H]1CC[N@@H+](CC(=O)NC(N)=O)C[C@H]1O ZINC001099605429 782819825 /nfs/dbraw/zinc/81/98/25/782819825.db2.gz XMYXRNQGMHWFRO-HTQZYQBOSA-N 1 2 272.305 -1.857 20 0 CAADLO CC(=O)N[C@H]1CC[N@H+](CC(=O)NC(N)=O)C[C@@H]1O ZINC001099607245 782820631 /nfs/dbraw/zinc/82/06/31/782820631.db2.gz KFZARBRDTRPTQP-YUMQZZPRSA-N 1 2 258.278 -2.247 20 0 CAADLO CC(=O)N[C@H]1CC[N@@H+](CC(=O)NC(N)=O)C[C@@H]1O ZINC001099607245 782820633 /nfs/dbraw/zinc/82/06/33/782820633.db2.gz KFZARBRDTRPTQP-YUMQZZPRSA-N 1 2 258.278 -2.247 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)COC)[C@H](O)C1 ZINC001099612924 782821109 /nfs/dbraw/zinc/82/11/09/782821109.db2.gz ASXBQNRKLIHQSH-DTWKUNHWSA-N 1 2 259.306 -2.070 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)COC)[C@H](O)C1 ZINC001099612924 782821113 /nfs/dbraw/zinc/82/11/13/782821113.db2.gz ASXBQNRKLIHQSH-DTWKUNHWSA-N 1 2 259.306 -2.070 20 0 CAADLO CCS(=O)(=O)NCC[N@@H+]1CC[C@H](NC(C)=O)[C@@H](O)C1 ZINC001099607853 782821247 /nfs/dbraw/zinc/82/12/47/782821247.db2.gz RPZOGLYBBAVSDD-QWRGUYRKSA-N 1 2 293.389 -1.503 20 0 CAADLO CCS(=O)(=O)NCC[N@H+]1CC[C@H](NC(C)=O)[C@@H](O)C1 ZINC001099607853 782821250 /nfs/dbraw/zinc/82/12/50/782821250.db2.gz RPZOGLYBBAVSDD-QWRGUYRKSA-N 1 2 293.389 -1.503 20 0 CAADLO CCOCCNC(=O)C[N@@H+]1CC[C@@H](NC(C)=O)[C@@H](O)C1 ZINC001099610927 782821366 /nfs/dbraw/zinc/82/13/66/782821366.db2.gz LPBXYTNSLGHISS-NEPJUHHUSA-N 1 2 287.360 -1.290 20 0 CAADLO CCOCCNC(=O)C[N@H+]1CC[C@@H](NC(C)=O)[C@@H](O)C1 ZINC001099610927 782821373 /nfs/dbraw/zinc/82/13/73/782821373.db2.gz LPBXYTNSLGHISS-NEPJUHHUSA-N 1 2 287.360 -1.290 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)COC)[C@@H](O)C1 ZINC001099612925 782821481 /nfs/dbraw/zinc/82/14/81/782821481.db2.gz ASXBQNRKLIHQSH-IUCAKERBSA-N 1 2 259.306 -2.070 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)COC)[C@@H](O)C1 ZINC001099612925 782821486 /nfs/dbraw/zinc/82/14/86/782821486.db2.gz ASXBQNRKLIHQSH-IUCAKERBSA-N 1 2 259.306 -2.070 20 0 CAADLO CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)COC)[C@H](O)C1 ZINC001099617195 782821572 /nfs/dbraw/zinc/82/15/72/782821572.db2.gz HRFOOMFZXXLFJF-VHSXEESVSA-N 1 2 273.333 -1.680 20 0 CAADLO CCNC(=O)C[N@H+]1CC[C@H](NC(=O)COC)[C@H](O)C1 ZINC001099617195 782821578 /nfs/dbraw/zinc/82/15/78/782821578.db2.gz HRFOOMFZXXLFJF-VHSXEESVSA-N 1 2 273.333 -1.680 20 0 CAADLO CNC(=O)NC(=O)C[N@@H+]1CC[C@@H](NC(C)=O)[C@H](O)C1 ZINC001099611970 782821646 /nfs/dbraw/zinc/82/16/46/782821646.db2.gz ZKIXYUHNYJARDV-RKDXNWHRSA-N 1 2 272.305 -1.987 20 0 CAADLO CNC(=O)NC(=O)C[N@H+]1CC[C@@H](NC(C)=O)[C@H](O)C1 ZINC001099611970 782821653 /nfs/dbraw/zinc/82/16/53/782821653.db2.gz ZKIXYUHNYJARDV-RKDXNWHRSA-N 1 2 272.305 -1.987 20 0 CAADLO CCn1nncc1C[N@@H+]1CC[C@@H](NC(=O)COC)[C@@H](O)C1 ZINC001099616362 782821692 /nfs/dbraw/zinc/82/16/92/782821692.db2.gz CYMBBUGUQROOJB-NEPJUHHUSA-N 1 2 297.359 -1.004 20 0 CAADLO CCn1nncc1C[N@H+]1CC[C@@H](NC(=O)COC)[C@@H](O)C1 ZINC001099616362 782821703 /nfs/dbraw/zinc/82/17/03/782821703.db2.gz CYMBBUGUQROOJB-NEPJUHHUSA-N 1 2 297.359 -1.004 20 0 CAADLO CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)COC)[C@@H](O)C1 ZINC001099617193 782821826 /nfs/dbraw/zinc/82/18/26/782821826.db2.gz HRFOOMFZXXLFJF-UWVGGRQHSA-N 1 2 273.333 -1.680 20 0 CAADLO CCNC(=O)C[N@H+]1CC[C@H](NC(=O)COC)[C@@H](O)C1 ZINC001099617193 782821834 /nfs/dbraw/zinc/82/18/34/782821834.db2.gz HRFOOMFZXXLFJF-UWVGGRQHSA-N 1 2 273.333 -1.680 20 0 CAADLO CNC(=O)NC(=O)C[N@@H+]1CC[C@@H](NC(C)=O)[C@@H](O)C1 ZINC001099611967 782822251 /nfs/dbraw/zinc/82/22/51/782822251.db2.gz ZKIXYUHNYJARDV-BDAKNGLRSA-N 1 2 272.305 -1.987 20 0 CAADLO CNC(=O)NC(=O)C[N@H+]1CC[C@@H](NC(C)=O)[C@@H](O)C1 ZINC001099611967 782822258 /nfs/dbraw/zinc/82/22/58/782822258.db2.gz ZKIXYUHNYJARDV-BDAKNGLRSA-N 1 2 272.305 -1.987 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CNC(C)=O)[C@@H](O)C1 ZINC001099630876 782822876 /nfs/dbraw/zinc/82/28/76/782822876.db2.gz RESUQEOBRRAVQK-ZJUUUORDSA-N 1 2 286.332 -2.580 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)CNC(C)=O)[C@@H](O)C1 ZINC001099630876 782822884 /nfs/dbraw/zinc/82/28/84/782822884.db2.gz RESUQEOBRRAVQK-ZJUUUORDSA-N 1 2 286.332 -2.580 20 0 CAADLO CCOCC(=O)N[C@H]1CC[N@H+](CC(=O)NC)C[C@@H]1O ZINC001099632514 782822917 /nfs/dbraw/zinc/82/29/17/782822917.db2.gz FEHGNFVQOCKSIN-UWVGGRQHSA-N 1 2 273.333 -1.680 20 0 CAADLO CCOCC(=O)N[C@H]1CC[N@@H+](CC(=O)NC)C[C@@H]1O ZINC001099632514 782822925 /nfs/dbraw/zinc/82/29/25/782822925.db2.gz FEHGNFVQOCKSIN-UWVGGRQHSA-N 1 2 273.333 -1.680 20 0 CAADLO COCC(=O)N[C@@H]1CC[N@H+](Cc2cnnn2C)C[C@H]1O ZINC001099618441 782823008 /nfs/dbraw/zinc/82/30/08/782823008.db2.gz UPHUBRKHPCLVMW-GHMZBOCLSA-N 1 2 283.332 -1.487 20 0 CAADLO COCC(=O)N[C@@H]1CC[N@@H+](Cc2cnnn2C)C[C@H]1O ZINC001099618441 782823013 /nfs/dbraw/zinc/82/30/13/782823013.db2.gz UPHUBRKHPCLVMW-GHMZBOCLSA-N 1 2 283.332 -1.487 20 0 CAADLO CC(=O)NCC(=O)N[C@H]1CC[N@H+](CC(N)=O)C[C@@H]1O ZINC001099629427 782823462 /nfs/dbraw/zinc/82/34/62/782823462.db2.gz BYZKLBFTLSSZED-IUCAKERBSA-N 1 2 272.305 -2.841 20 0 CAADLO CC(=O)NCC(=O)N[C@H]1CC[N@@H+](CC(N)=O)C[C@@H]1O ZINC001099629427 782823465 /nfs/dbraw/zinc/82/34/65/782823465.db2.gz BYZKLBFTLSSZED-IUCAKERBSA-N 1 2 272.305 -2.841 20 0 CAADLO COCC(=O)N[C@@H]1CC[N@H+](Cc2cnnn2C)C[C@@H]1O ZINC001099618442 782823554 /nfs/dbraw/zinc/82/35/54/782823554.db2.gz UPHUBRKHPCLVMW-MNOVXSKESA-N 1 2 283.332 -1.487 20 0 CAADLO COCC(=O)N[C@@H]1CC[N@@H+](Cc2cnnn2C)C[C@@H]1O ZINC001099618442 782823559 /nfs/dbraw/zinc/82/35/59/782823559.db2.gz UPHUBRKHPCLVMW-MNOVXSKESA-N 1 2 283.332 -1.487 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)CNC(C)=O)[C@@H](O)C1 ZINC001099630874 782824086 /nfs/dbraw/zinc/82/40/86/782824086.db2.gz RESUQEOBRRAVQK-UWVGGRQHSA-N 1 2 286.332 -2.580 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)CNC(C)=O)[C@@H](O)C1 ZINC001099630874 782824094 /nfs/dbraw/zinc/82/40/94/782824094.db2.gz RESUQEOBRRAVQK-UWVGGRQHSA-N 1 2 286.332 -2.580 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CNC(C)=O)[C@H](O)C1 ZINC001099630873 782824350 /nfs/dbraw/zinc/82/43/50/782824350.db2.gz RESUQEOBRRAVQK-NXEZZACHSA-N 1 2 286.332 -2.580 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)CNC(C)=O)[C@H](O)C1 ZINC001099630873 782824354 /nfs/dbraw/zinc/82/43/54/782824354.db2.gz RESUQEOBRRAVQK-NXEZZACHSA-N 1 2 286.332 -2.580 20 0 CAADLO CC(C)=CC(=O)N[C@@H]1CC[N@H+](CC(=O)NC(N)=O)C[C@H]1O ZINC001099659783 782824917 /nfs/dbraw/zinc/82/49/17/782824917.db2.gz JMXHLJCBDRZFSV-NXEZZACHSA-N 1 2 298.343 -1.301 20 0 CAADLO CC(C)=CC(=O)N[C@@H]1CC[N@@H+](CC(=O)NC(N)=O)C[C@H]1O ZINC001099659783 782824921 /nfs/dbraw/zinc/82/49/21/782824921.db2.gz JMXHLJCBDRZFSV-NXEZZACHSA-N 1 2 298.343 -1.301 20 0 CAADLO CCOCCCC(=O)N[C@@H]1CC[N@H+](CC(N)=O)C[C@H]1O ZINC001099698727 782827621 /nfs/dbraw/zinc/82/76/21/782827621.db2.gz SWGDNFHRXXSYPJ-GHMZBOCLSA-N 1 2 287.360 -1.160 20 0 CAADLO CCOCCCC(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C[C@H]1O ZINC001099698727 782827626 /nfs/dbraw/zinc/82/76/26/782827626.db2.gz SWGDNFHRXXSYPJ-GHMZBOCLSA-N 1 2 287.360 -1.160 20 0 CAADLO CCOCCCC(=O)N[C@@H]1CC[N@H+](CC(N)=O)C[C@@H]1O ZINC001099698728 782826818 /nfs/dbraw/zinc/82/68/18/782826818.db2.gz SWGDNFHRXXSYPJ-MNOVXSKESA-N 1 2 287.360 -1.160 20 0 CAADLO CCOCCCC(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C[C@@H]1O ZINC001099698728 782826826 /nfs/dbraw/zinc/82/68/26/782826826.db2.gz SWGDNFHRXXSYPJ-MNOVXSKESA-N 1 2 287.360 -1.160 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)CNC(=O)C2CC2)[C@H](O)C1 ZINC001099703778 782826843 /nfs/dbraw/zinc/82/68/43/782826843.db2.gz BITHXXANAHQACQ-NXEZZACHSA-N 1 2 298.343 -2.451 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)CNC(=O)C2CC2)[C@H](O)C1 ZINC001099703778 782826849 /nfs/dbraw/zinc/82/68/49/782826849.db2.gz BITHXXANAHQACQ-NXEZZACHSA-N 1 2 298.343 -2.451 20 0 CAADLO CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2ccn[nH]2)[C@H](O)C1 ZINC001099674611 782827014 /nfs/dbraw/zinc/82/70/14/782827014.db2.gz CEESOBHHILDEQK-GXSJLCMTSA-N 1 2 295.343 -1.289 20 0 CAADLO CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2ccn[nH]2)[C@H](O)C1 ZINC001099674611 782827020 /nfs/dbraw/zinc/82/70/20/782827020.db2.gz CEESOBHHILDEQK-GXSJLCMTSA-N 1 2 295.343 -1.289 20 0 CAADLO CC(C)=CC(=O)N[C@H]1CC[N@H+](CC(N)=O)C[C@@H]1O ZINC001099661286 782827278 /nfs/dbraw/zinc/82/72/78/782827278.db2.gz XMJFRCKQJGOONM-UWVGGRQHSA-N 1 2 255.318 -1.011 20 0 CAADLO CC(C)=CC(=O)N[C@H]1CC[N@@H+](CC(N)=O)C[C@@H]1O ZINC001099661286 782827284 /nfs/dbraw/zinc/82/72/84/782827284.db2.gz XMJFRCKQJGOONM-UWVGGRQHSA-N 1 2 255.318 -1.011 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)CNC(N)=O)[C@@H](O)C1 ZINC001099665363 782827729 /nfs/dbraw/zinc/82/77/29/782827729.db2.gz FYRLUHYZHJULKX-BQBZGAKWSA-N 1 2 273.293 -3.309 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)CNC(N)=O)[C@@H](O)C1 ZINC001099665363 782827734 /nfs/dbraw/zinc/82/77/34/782827734.db2.gz FYRLUHYZHJULKX-BQBZGAKWSA-N 1 2 273.293 -3.309 20 0 CAADLO CC(C)=CC(=O)N[C@H]1CC[N@H+](CC(N)=O)C[C@H]1O ZINC001099661287 782828001 /nfs/dbraw/zinc/82/80/01/782828001.db2.gz XMJFRCKQJGOONM-VHSXEESVSA-N 1 2 255.318 -1.011 20 0 CAADLO CC(C)=CC(=O)N[C@H]1CC[N@@H+](CC(N)=O)C[C@H]1O ZINC001099661287 782828009 /nfs/dbraw/zinc/82/80/09/782828009.db2.gz XMJFRCKQJGOONM-VHSXEESVSA-N 1 2 255.318 -1.011 20 0 CAADLO CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cn[nH]c2)[C@H](O)C1 ZINC001099678012 782828039 /nfs/dbraw/zinc/82/80/39/782828039.db2.gz DWRUPVBPQWPFBD-GHMZBOCLSA-N 1 2 295.343 -1.289 20 0 CAADLO CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cn[nH]c2)[C@H](O)C1 ZINC001099678012 782828043 /nfs/dbraw/zinc/82/80/43/782828043.db2.gz DWRUPVBPQWPFBD-GHMZBOCLSA-N 1 2 295.343 -1.289 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)CNC(=O)C2CC2)[C@@H](O)C1 ZINC001099703779 782828334 /nfs/dbraw/zinc/82/83/34/782828334.db2.gz BITHXXANAHQACQ-UWVGGRQHSA-N 1 2 298.343 -2.451 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)CNC(=O)C2CC2)[C@@H](O)C1 ZINC001099703779 782828340 /nfs/dbraw/zinc/82/83/40/782828340.db2.gz BITHXXANAHQACQ-UWVGGRQHSA-N 1 2 298.343 -2.451 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)COCC2CC2)[C@H](O)C1 ZINC001099702692 782828353 /nfs/dbraw/zinc/82/83/53/782828353.db2.gz YHQJFUZYPJTZIL-GHMZBOCLSA-N 1 2 285.344 -1.550 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)COCC2CC2)[C@H](O)C1 ZINC001099702692 782828359 /nfs/dbraw/zinc/82/83/59/782828359.db2.gz YHQJFUZYPJTZIL-GHMZBOCLSA-N 1 2 285.344 -1.550 20 0 CAADLO CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2ccn[nH]2)[C@@H](O)C1 ZINC001099674614 782828374 /nfs/dbraw/zinc/82/83/74/782828374.db2.gz CEESOBHHILDEQK-ONGXEEELSA-N 1 2 295.343 -1.289 20 0 CAADLO CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2ccn[nH]2)[C@@H](O)C1 ZINC001099674614 782828379 /nfs/dbraw/zinc/82/83/79/782828379.db2.gz CEESOBHHILDEQK-ONGXEEELSA-N 1 2 295.343 -1.289 20 0 CAADLO COCC[N@@H+]1CC[C@H](NC(=O)CS(C)(=O)=O)[C@@H](O)C1 ZINC001099709758 782828780 /nfs/dbraw/zinc/82/87/80/782828780.db2.gz MZHOZJYDGOFJAS-UWVGGRQHSA-N 1 2 294.373 -1.771 20 0 CAADLO COCC[N@H+]1CC[C@H](NC(=O)CS(C)(=O)=O)[C@@H](O)C1 ZINC001099709758 782828787 /nfs/dbraw/zinc/82/87/87/782828787.db2.gz MZHOZJYDGOFJAS-UWVGGRQHSA-N 1 2 294.373 -1.771 20 0 CAADLO CCOCCC(=O)N[C@@H]1CC[N@H+](CC(N)=O)C[C@@H]1O ZINC001099729489 782829054 /nfs/dbraw/zinc/82/90/54/782829054.db2.gz INFHWQFTUMGNKV-ZJUUUORDSA-N 1 2 273.333 -1.550 20 0 CAADLO CCOCCC(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C[C@@H]1O ZINC001099729489 782829060 /nfs/dbraw/zinc/82/90/60/782829060.db2.gz INFHWQFTUMGNKV-ZJUUUORDSA-N 1 2 273.333 -1.550 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)COC(C)C)[C@H](O)C1 ZINC001099724451 782829180 /nfs/dbraw/zinc/82/91/80/782829180.db2.gz OFZLHIKIINBGKQ-GHMZBOCLSA-N 1 2 287.360 -1.291 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)COC(C)C)[C@H](O)C1 ZINC001099724451 782829183 /nfs/dbraw/zinc/82/91/83/782829183.db2.gz OFZLHIKIINBGKQ-GHMZBOCLSA-N 1 2 287.360 -1.291 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)CC(F)(F)F)[C@H](O)C1 ZINC001099711581 782829210 /nfs/dbraw/zinc/82/92/10/782829210.db2.gz BQINYAFLLTYNHM-RNFRBKRXSA-N 1 2 283.250 -1.025 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)CC(F)(F)F)[C@H](O)C1 ZINC001099711581 782829215 /nfs/dbraw/zinc/82/92/15/782829215.db2.gz BQINYAFLLTYNHM-RNFRBKRXSA-N 1 2 283.250 -1.025 20 0 CAADLO CC(C)OCC(=O)N[C@@H]1CC[N@H+](CC(N)=O)C[C@@H]1O ZINC001099723152 782829250 /nfs/dbraw/zinc/82/92/50/782829250.db2.gz FMMMZDJBZNIHJS-ZJUUUORDSA-N 1 2 273.333 -1.552 20 0 CAADLO CC(C)OCC(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C[C@@H]1O ZINC001099723152 782829256 /nfs/dbraw/zinc/82/92/56/782829256.db2.gz FMMMZDJBZNIHJS-ZJUUUORDSA-N 1 2 273.333 -1.552 20 0 CAADLO CCOCCC(=O)N[C@@H]1CC[N@H+](CC(N)=O)C[C@H]1O ZINC001099729486 782829770 /nfs/dbraw/zinc/82/97/70/782829770.db2.gz INFHWQFTUMGNKV-NXEZZACHSA-N 1 2 273.333 -1.550 20 0 CAADLO CCOCCC(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C[C@H]1O ZINC001099729486 782829779 /nfs/dbraw/zinc/82/97/79/782829779.db2.gz INFHWQFTUMGNKV-NXEZZACHSA-N 1 2 273.333 -1.550 20 0 CAADLO CCOCCC(=O)N[C@@H]1CC[N@H+](CC(=O)NC)C[C@H]1O ZINC001099729770 782830333 /nfs/dbraw/zinc/83/03/33/782830333.db2.gz LRPPDIHTTJVWFM-GHMZBOCLSA-N 1 2 287.360 -1.290 20 0 CAADLO CCOCCC(=O)N[C@@H]1CC[N@@H+](CC(=O)NC)C[C@H]1O ZINC001099729770 782830338 /nfs/dbraw/zinc/83/03/38/782830338.db2.gz LRPPDIHTTJVWFM-GHMZBOCLSA-N 1 2 287.360 -1.290 20 0 CAADLO COCCOCC(=O)N[C@@H]1CC[N@H+](CC(N)=O)C[C@@H]1O ZINC001099747105 782830882 /nfs/dbraw/zinc/83/08/82/782830882.db2.gz TWCLVCCYNMRWOG-ZJUUUORDSA-N 1 2 289.332 -2.314 20 0 CAADLO COCCOCC(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C[C@@H]1O ZINC001099747105 782830888 /nfs/dbraw/zinc/83/08/88/782830888.db2.gz TWCLVCCYNMRWOG-ZJUUUORDSA-N 1 2 289.332 -2.314 20 0 CAADLO CCCCOCC(=O)N[C@H]1CC[N@H+](CC(N)=O)C[C@@H]1O ZINC001099755758 782831107 /nfs/dbraw/zinc/83/11/07/782831107.db2.gz RMUHEUIKCQXLRZ-QWRGUYRKSA-N 1 2 287.360 -1.160 20 0 CAADLO CCCCOCC(=O)N[C@H]1CC[N@@H+](CC(N)=O)C[C@@H]1O ZINC001099755758 782831113 /nfs/dbraw/zinc/83/11/13/782831113.db2.gz RMUHEUIKCQXLRZ-QWRGUYRKSA-N 1 2 287.360 -1.160 20 0 CAADLO COCCOCC(=O)N[C@H]1CC[N@H+](CC(N)=O)C[C@@H]1O ZINC001099747103 782831156 /nfs/dbraw/zinc/83/11/56/782831156.db2.gz TWCLVCCYNMRWOG-UWVGGRQHSA-N 1 2 289.332 -2.314 20 0 CAADLO COCCOCC(=O)N[C@H]1CC[N@@H+](CC(N)=O)C[C@@H]1O ZINC001099747103 782831161 /nfs/dbraw/zinc/83/11/61/782831161.db2.gz TWCLVCCYNMRWOG-UWVGGRQHSA-N 1 2 289.332 -2.314 20 0 CAADLO CCC(=O)NCC(=O)N[C@H]1CC[N@H+](CC(N)=O)C[C@H]1O ZINC001099738767 782831367 /nfs/dbraw/zinc/83/13/67/782831367.db2.gz SGJZOYCYORIZEJ-DTWKUNHWSA-N 1 2 286.332 -2.451 20 0 CAADLO CCC(=O)NCC(=O)N[C@H]1CC[N@@H+](CC(N)=O)C[C@H]1O ZINC001099738767 782831373 /nfs/dbraw/zinc/83/13/73/782831373.db2.gz SGJZOYCYORIZEJ-DTWKUNHWSA-N 1 2 286.332 -2.451 20 0 CAADLO Cn1nncc1C[N@@H+]1CC[C@@H](NC(=O)CC(N)=O)[C@@H](O)C1 ZINC001099757394 782833577 /nfs/dbraw/zinc/83/35/77/782833577.db2.gz DUBFXMVEDOINDN-ZJUUUORDSA-N 1 2 296.331 -2.258 20 0 CAADLO Cn1nncc1C[N@H+]1CC[C@@H](NC(=O)CC(N)=O)[C@@H](O)C1 ZINC001099757394 782833587 /nfs/dbraw/zinc/83/35/87/782833587.db2.gz DUBFXMVEDOINDN-ZJUUUORDSA-N 1 2 296.331 -2.258 20 0 CAADLO CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cn[nH]c2)[C@H](O)C1 ZINC001099678015 782827641 /nfs/dbraw/zinc/82/76/41/782827641.db2.gz DWRUPVBPQWPFBD-WDEREUQCSA-N 1 2 295.343 -1.289 20 0 CAADLO CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cn[nH]c2)[C@H](O)C1 ZINC001099678015 782827645 /nfs/dbraw/zinc/82/76/45/782827645.db2.gz DWRUPVBPQWPFBD-WDEREUQCSA-N 1 2 295.343 -1.289 20 0 CAADLO CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cn[nH]c2)[C@@H](O)C1 ZINC001099678014 782827671 /nfs/dbraw/zinc/82/76/71/782827671.db2.gz DWRUPVBPQWPFBD-QWRGUYRKSA-N 1 2 295.343 -1.289 20 0 CAADLO CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cn[nH]c2)[C@@H](O)C1 ZINC001099678014 782827677 /nfs/dbraw/zinc/82/76/77/782827677.db2.gz DWRUPVBPQWPFBD-QWRGUYRKSA-N 1 2 295.343 -1.289 20 0 CAADLO C/C=C(/C)C(=O)N[C@@H]1CC[N@H+](CC(N)=O)C[C@H]1O ZINC001099771066 782835359 /nfs/dbraw/zinc/83/53/59/782835359.db2.gz BGVAOYMPURXNEG-HJBJALMNSA-N 1 2 255.318 -1.011 20 0 CAADLO C/C=C(/C)C(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C[C@H]1O ZINC001099771066 782835363 /nfs/dbraw/zinc/83/53/63/782835363.db2.gz BGVAOYMPURXNEG-HJBJALMNSA-N 1 2 255.318 -1.011 20 0 CAADLO C/C=C(\C)C(=O)N[C@@H]1CC[N@H+](CC(N)=O)C[C@@H]1O ZINC001099771068 782836499 /nfs/dbraw/zinc/83/64/99/782836499.db2.gz BGVAOYMPURXNEG-UNLJNPQMSA-N 1 2 255.318 -1.011 20 0 CAADLO C/C=C(\C)C(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C[C@@H]1O ZINC001099771068 782836506 /nfs/dbraw/zinc/83/65/06/782836506.db2.gz BGVAOYMPURXNEG-UNLJNPQMSA-N 1 2 255.318 -1.011 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)CCc2ncc[nH]2)[C@@H](O)C1 ZINC001099804313 782836899 /nfs/dbraw/zinc/83/68/99/782836899.db2.gz LMOOMQGKNUEIBU-UWVGGRQHSA-N 1 2 295.343 -1.621 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)CCc2ncc[nH]2)[C@@H](O)C1 ZINC001099804313 782836907 /nfs/dbraw/zinc/83/69/07/782836907.db2.gz LMOOMQGKNUEIBU-UWVGGRQHSA-N 1 2 295.343 -1.621 20 0 CAADLO CCNC(=O)CC(=O)N[C@@H]1CC[N@H+](CC(N)=O)C[C@@H]1O ZINC001099796940 782836938 /nfs/dbraw/zinc/83/69/38/782836938.db2.gz LMXLUCYKJDFATN-BDAKNGLRSA-N 1 2 286.332 -2.451 20 0 CAADLO CCNC(=O)CC(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C[C@@H]1O ZINC001099796940 782836943 /nfs/dbraw/zinc/83/69/43/782836943.db2.gz LMXLUCYKJDFATN-BDAKNGLRSA-N 1 2 286.332 -2.451 20 0 CAADLO CCNC(=O)CC(=O)N[C@H]1CC[N@H+](CC(N)=O)C[C@@H]1O ZINC001099796942 782837129 /nfs/dbraw/zinc/83/71/29/782837129.db2.gz LMXLUCYKJDFATN-IUCAKERBSA-N 1 2 286.332 -2.451 20 0 CAADLO CCNC(=O)CC(=O)N[C@H]1CC[N@@H+](CC(N)=O)C[C@@H]1O ZINC001099796942 782837136 /nfs/dbraw/zinc/83/71/36/782837136.db2.gz LMXLUCYKJDFATN-IUCAKERBSA-N 1 2 286.332 -2.451 20 0 CAADLO CNC(=O)CC(=O)N[C@H]1CC[N@H+](CC(N)=O)C[C@H]1O ZINC001099792767 782837180 /nfs/dbraw/zinc/83/71/80/782837180.db2.gz ZEBVQELIOKXNGM-JGVFFNPUSA-N 1 2 272.305 -2.841 20 0 CAADLO CNC(=O)CC(=O)N[C@H]1CC[N@@H+](CC(N)=O)C[C@H]1O ZINC001099792767 782837183 /nfs/dbraw/zinc/83/71/83/782837183.db2.gz ZEBVQELIOKXNGM-JGVFFNPUSA-N 1 2 272.305 -2.841 20 0 CAADLO CC(C)(O)CC(=O)N[C@@H]1CC[N@H+](CC(N)=O)C[C@@H]1O ZINC001099810160 782837374 /nfs/dbraw/zinc/83/73/74/782837374.db2.gz OXKUXMIFECUGFY-BDAKNGLRSA-N 1 2 273.333 -1.816 20 0 CAADLO CC(C)(O)CC(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C[C@@H]1O ZINC001099810160 782837381 /nfs/dbraw/zinc/83/73/81/782837381.db2.gz OXKUXMIFECUGFY-BDAKNGLRSA-N 1 2 273.333 -1.816 20 0 CAADLO CNC(=O)CC(=O)N[C@@H]1CC[N@H+](CC(N)=O)C[C@H]1O ZINC001099792766 782837535 /nfs/dbraw/zinc/83/75/35/782837535.db2.gz ZEBVQELIOKXNGM-HTQZYQBOSA-N 1 2 272.305 -2.841 20 0 CAADLO CNC(=O)CC(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C[C@H]1O ZINC001099792766 782837542 /nfs/dbraw/zinc/83/75/42/782837542.db2.gz ZEBVQELIOKXNGM-HTQZYQBOSA-N 1 2 272.305 -2.841 20 0 CAADLO CC1(C(=O)N[C@@H]2CC[N@H+](CC(=O)NC(N)=O)C[C@H]2O)CC1 ZINC001099840887 782840423 /nfs/dbraw/zinc/84/04/23/782840423.db2.gz GKIUGBGALXKZCQ-RKDXNWHRSA-N 1 2 298.343 -1.467 20 0 CAADLO CC(C)(C)OCC(=O)N[C@H]1CC[N@H+](CC(N)=O)C[C@H]1O ZINC001099796862 782837751 /nfs/dbraw/zinc/83/77/51/782837751.db2.gz KDPPKROBPSYPEA-VHSXEESVSA-N 1 2 287.360 -1.162 20 0 CAADLO CC(C)(C)OCC(=O)N[C@H]1CC[N@@H+](CC(N)=O)C[C@H]1O ZINC001099796862 782837760 /nfs/dbraw/zinc/83/77/60/782837760.db2.gz KDPPKROBPSYPEA-VHSXEESVSA-N 1 2 287.360 -1.162 20 0 CAADLO CC(C)(C)OCC(=O)N[C@H]1CC[N@H+](CC(N)=O)C[C@@H]1O ZINC001099796861 782837792 /nfs/dbraw/zinc/83/77/92/782837792.db2.gz KDPPKROBPSYPEA-UWVGGRQHSA-N 1 2 287.360 -1.162 20 0 CAADLO CC(C)(C)OCC(=O)N[C@H]1CC[N@@H+](CC(N)=O)C[C@@H]1O ZINC001099796861 782837799 /nfs/dbraw/zinc/83/77/99/782837799.db2.gz KDPPKROBPSYPEA-UWVGGRQHSA-N 1 2 287.360 -1.162 20 0 CAADLO CC1(C(=O)N[C@@H]2CC[N@@H+](CC(=O)NC(N)=O)C[C@H]2O)CC1 ZINC001099840887 782840431 /nfs/dbraw/zinc/84/04/31/782840431.db2.gz GKIUGBGALXKZCQ-RKDXNWHRSA-N 1 2 298.343 -1.467 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)CCOCC2CC2)[C@H](O)C1 ZINC001099836091 782839225 /nfs/dbraw/zinc/83/92/25/782839225.db2.gz VAIDKDNGPYIUTO-NWDGAFQWSA-N 1 2 299.371 -1.160 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)CCOCC2CC2)[C@H](O)C1 ZINC001099836091 782839228 /nfs/dbraw/zinc/83/92/28/782839228.db2.gz VAIDKDNGPYIUTO-NWDGAFQWSA-N 1 2 299.371 -1.160 20 0 CAADLO CC1(C(=O)N[C@@H]2CC[N@H+](CC(=O)NC(N)=O)C[C@@H]2O)CC1 ZINC001099840884 782839512 /nfs/dbraw/zinc/83/95/12/782839512.db2.gz GKIUGBGALXKZCQ-BDAKNGLRSA-N 1 2 298.343 -1.467 20 0 CAADLO CC1(C(=O)N[C@@H]2CC[N@@H+](CC(=O)NC(N)=O)C[C@@H]2O)CC1 ZINC001099840884 782839516 /nfs/dbraw/zinc/83/95/16/782839516.db2.gz GKIUGBGALXKZCQ-BDAKNGLRSA-N 1 2 298.343 -1.467 20 0 CAADLO COCC1(CC(=O)N[C@@H]2CC[N@H+](CC(N)=O)C[C@H]2O)CC1 ZINC001099829844 782839768 /nfs/dbraw/zinc/83/97/68/782839768.db2.gz JDOBQQGAKAWZKE-GHMZBOCLSA-N 1 2 299.371 -1.160 20 0 CAADLO COCC1(CC(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C[C@H]2O)CC1 ZINC001099829844 782839770 /nfs/dbraw/zinc/83/97/70/782839770.db2.gz JDOBQQGAKAWZKE-GHMZBOCLSA-N 1 2 299.371 -1.160 20 0 CAADLO COCC1(CC(=O)N[C@H]2CC[N@H+](CC(N)=O)C[C@H]2O)CC1 ZINC001099829847 782839863 /nfs/dbraw/zinc/83/98/63/782839863.db2.gz JDOBQQGAKAWZKE-WDEREUQCSA-N 1 2 299.371 -1.160 20 0 CAADLO COCC1(CC(=O)N[C@H]2CC[N@@H+](CC(N)=O)C[C@H]2O)CC1 ZINC001099829847 782839870 /nfs/dbraw/zinc/83/98/70/782839870.db2.gz JDOBQQGAKAWZKE-WDEREUQCSA-N 1 2 299.371 -1.160 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)C2(CF)CC2)[C@@H](O)C1 ZINC001100006143 782847167 /nfs/dbraw/zinc/84/71/67/782847167.db2.gz NESBCFXYNSQJAQ-BDAKNGLRSA-N 1 2 273.308 -1.227 20 0 CAADLO CS(=O)(=O)CCC(=O)N[C@@H]1CC[N@H+](CCO)C[C@@H]1O ZINC001099894747 782842618 /nfs/dbraw/zinc/84/26/18/782842618.db2.gz PIPLPBUOHILHLF-ZJUUUORDSA-N 1 2 294.373 -2.035 20 0 CAADLO CS(=O)(=O)CCC(=O)N[C@@H]1CC[N@@H+](CCO)C[C@@H]1O ZINC001099894747 782842624 /nfs/dbraw/zinc/84/26/24/782842624.db2.gz PIPLPBUOHILHLF-ZJUUUORDSA-N 1 2 294.373 -2.035 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)CCc2ccon2)[C@H](O)C1 ZINC001099924740 782842872 /nfs/dbraw/zinc/84/28/72/782842872.db2.gz ZMLPYSOLYJRYRW-GHMZBOCLSA-N 1 2 296.327 -1.356 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)CCc2ccon2)[C@H](O)C1 ZINC001099924740 782842878 /nfs/dbraw/zinc/84/28/78/782842878.db2.gz ZMLPYSOLYJRYRW-GHMZBOCLSA-N 1 2 296.327 -1.356 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)COCC(F)F)[C@@H](O)C1 ZINC001099935366 782844739 /nfs/dbraw/zinc/84/47/39/782844739.db2.gz MXIZNAOWLWQPQV-YUMQZZPRSA-N 1 2 295.286 -1.695 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)COCC(F)F)[C@@H](O)C1 ZINC001099935366 782844746 /nfs/dbraw/zinc/84/47/46/782844746.db2.gz MXIZNAOWLWQPQV-YUMQZZPRSA-N 1 2 295.286 -1.695 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)COCC(F)F)[C@@H](O)C1 ZINC001099935365 782844816 /nfs/dbraw/zinc/84/48/16/782844816.db2.gz MXIZNAOWLWQPQV-SFYZADRCSA-N 1 2 295.286 -1.695 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)COCC(F)F)[C@@H](O)C1 ZINC001099935365 782844820 /nfs/dbraw/zinc/84/48/20/782844820.db2.gz MXIZNAOWLWQPQV-SFYZADRCSA-N 1 2 295.286 -1.695 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)CCCF)[C@H](O)C1 ZINC001099955708 782845218 /nfs/dbraw/zinc/84/52/18/782845218.db2.gz YEMAMDJRYYGPKH-DTWKUNHWSA-N 1 2 261.297 -1.227 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)CCCF)[C@H](O)C1 ZINC001099955708 782845224 /nfs/dbraw/zinc/84/52/24/782845224.db2.gz YEMAMDJRYYGPKH-DTWKUNHWSA-N 1 2 261.297 -1.227 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)CCCF)[C@@H](O)C1 ZINC001099955707 782845401 /nfs/dbraw/zinc/84/54/01/782845401.db2.gz YEMAMDJRYYGPKH-BDAKNGLRSA-N 1 2 261.297 -1.227 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)CCCF)[C@@H](O)C1 ZINC001099955707 782845405 /nfs/dbraw/zinc/84/54/05/782845405.db2.gz YEMAMDJRYYGPKH-BDAKNGLRSA-N 1 2 261.297 -1.227 20 0 CAADLO COCC1(C(=O)N[C@H]2CC[N@H+](CC(N)=O)C[C@H]2O)CCC1 ZINC001099927173 782845433 /nfs/dbraw/zinc/84/54/33/782845433.db2.gz XWMDAWYOQGPFEI-WDEREUQCSA-N 1 2 299.371 -1.160 20 0 CAADLO COCC1(C(=O)N[C@H]2CC[N@@H+](CC(N)=O)C[C@H]2O)CCC1 ZINC001099927173 782845439 /nfs/dbraw/zinc/84/54/39/782845439.db2.gz XWMDAWYOQGPFEI-WDEREUQCSA-N 1 2 299.371 -1.160 20 0 CAADLO CCCNC(=O)C[N@@H+]1CC[C@H](NC(=O)C(N)=O)[C@H](O)C1 ZINC001099971544 782845638 /nfs/dbraw/zinc/84/56/38/782845638.db2.gz JJZMTRGTLOSLMA-DTWKUNHWSA-N 1 2 286.332 -2.451 20 0 CAADLO CCCNC(=O)C[N@H+]1CC[C@H](NC(=O)C(N)=O)[C@H](O)C1 ZINC001099971544 782845641 /nfs/dbraw/zinc/84/56/41/782845641.db2.gz JJZMTRGTLOSLMA-DTWKUNHWSA-N 1 2 286.332 -2.451 20 0 CAADLO CCCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C(N)=O)[C@H](O)C1 ZINC001099971546 782845885 /nfs/dbraw/zinc/84/58/85/782845885.db2.gz JJZMTRGTLOSLMA-RKDXNWHRSA-N 1 2 286.332 -2.451 20 0 CAADLO CCCNC(=O)C[N@H+]1CC[C@@H](NC(=O)C(N)=O)[C@H](O)C1 ZINC001099971546 782845890 /nfs/dbraw/zinc/84/58/90/782845890.db2.gz JJZMTRGTLOSLMA-RKDXNWHRSA-N 1 2 286.332 -2.451 20 0 CAADLO CCCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C(N)=O)[C@@H](O)C1 ZINC001099971543 782845930 /nfs/dbraw/zinc/84/59/30/782845930.db2.gz JJZMTRGTLOSLMA-BDAKNGLRSA-N 1 2 286.332 -2.451 20 0 CAADLO CCCNC(=O)C[N@H+]1CC[C@@H](NC(=O)C(N)=O)[C@@H](O)C1 ZINC001099971543 782845935 /nfs/dbraw/zinc/84/59/35/782845935.db2.gz JJZMTRGTLOSLMA-BDAKNGLRSA-N 1 2 286.332 -2.451 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C2(C(N)=O)CC2)[C@@H](O)C1 ZINC001099978882 782846639 /nfs/dbraw/zinc/84/66/39/782846639.db2.gz MYDCMDLEPRSZLT-BDAKNGLRSA-N 1 2 298.343 -2.451 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)C2(C(N)=O)CC2)[C@@H](O)C1 ZINC001099978882 782846641 /nfs/dbraw/zinc/84/66/41/782846641.db2.gz MYDCMDLEPRSZLT-BDAKNGLRSA-N 1 2 298.343 -2.451 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)C2(CF)CC2)[C@@H](O)C1 ZINC001100006143 782847159 /nfs/dbraw/zinc/84/71/59/782847159.db2.gz NESBCFXYNSQJAQ-BDAKNGLRSA-N 1 2 273.308 -1.227 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)CCn2cnnn2)[C@@H](O)C1 ZINC001100046777 782848154 /nfs/dbraw/zinc/84/81/54/782848154.db2.gz RURUXQQYHFDIKO-BDAKNGLRSA-N 1 2 297.319 -2.900 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)CCn2cnnn2)[C@@H](O)C1 ZINC001100046777 782848161 /nfs/dbraw/zinc/84/81/61/782848161.db2.gz RURUXQQYHFDIKO-BDAKNGLRSA-N 1 2 297.319 -2.900 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)CCn2cnnn2)[C@@H](O)C1 ZINC001100046779 782849010 /nfs/dbraw/zinc/84/90/10/782849010.db2.gz RURUXQQYHFDIKO-IUCAKERBSA-N 1 2 297.319 -2.900 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)CCn2cnnn2)[C@@H](O)C1 ZINC001100046779 782849015 /nfs/dbraw/zinc/84/90/15/782849015.db2.gz RURUXQQYHFDIKO-IUCAKERBSA-N 1 2 297.319 -2.900 20 0 CAADLO Cn1nnc(C[NH2+]C2CC(CNC(=O)C(N)=O)C2)n1 ZINC001100626793 782859787 /nfs/dbraw/zinc/85/97/87/782859787.db2.gz LQWXDLZLIRORJY-UHFFFAOYSA-N 1 2 267.293 -2.320 20 0 CAADLO Cc1nc(N(C)C)nc(NCCN(C)C(=O)CC(N)=O)[nH+]1 ZINC001101536859 782865265 /nfs/dbraw/zinc/86/52/65/782865265.db2.gz DFTXZEGCCZPJOQ-UHFFFAOYSA-N 1 2 295.347 -1.008 20 0 CAADLO C[C@@H]1C[N@H+](Cc2nnnn2C)C[C@H]1CNC(=O)CC(N)=O ZINC001101842773 782867469 /nfs/dbraw/zinc/86/74/69/782867469.db2.gz VBHBBLWUMHDYPU-RKDXNWHRSA-N 1 2 295.347 -1.730 20 0 CAADLO C[C@@H]1C[N@@H+](Cc2nnnn2C)C[C@H]1CNC(=O)CC(N)=O ZINC001101842773 782867480 /nfs/dbraw/zinc/86/74/80/782867480.db2.gz VBHBBLWUMHDYPU-RKDXNWHRSA-N 1 2 295.347 -1.730 20 0 CAADLO NC(=O)CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(N)=O ZINC001111506534 782875913 /nfs/dbraw/zinc/87/59/13/782875913.db2.gz QZRIOLLIZFKNOB-BBBLOLIVSA-N 1 2 282.344 -1.151 20 0 CAADLO NC(=O)CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(N)=O ZINC001111506534 782875919 /nfs/dbraw/zinc/87/59/19/782875919.db2.gz QZRIOLLIZFKNOB-BBBLOLIVSA-N 1 2 282.344 -1.151 20 0 CAADLO Cc1nc(N(C)CCOCCNC(=O)C(N)=O)cc[nH+]1 ZINC001115250684 782880462 /nfs/dbraw/zinc/88/04/62/782880462.db2.gz VYLXWEMTVRKKLO-UHFFFAOYSA-N 1 2 281.316 -1.161 20 0 CAADLO NC(=O)NCCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cnon3)C[C@H]21 ZINC001115220537 782880728 /nfs/dbraw/zinc/88/07/28/782880728.db2.gz LGRMLWZSMKRJIT-JZYVYDRUSA-N 1 2 294.315 -1.326 20 0 CAADLO NC(=O)NCCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cnon3)C[C@H]21 ZINC001115220537 782880737 /nfs/dbraw/zinc/88/07/37/782880737.db2.gz LGRMLWZSMKRJIT-JZYVYDRUSA-N 1 2 294.315 -1.326 20 0 CAADLO C[C@H](NC(=O)CN1C(=O)CNC1=O)[C@H](C)[NH+]1CCOCC1 ZINC001115997153 782885017 /nfs/dbraw/zinc/88/50/17/782885017.db2.gz NKDLZVASSWIUJD-UWVGGRQHSA-N 1 2 298.343 -1.236 20 0 CAADLO CCOCC(=O)NC[C@@H]1C[N@H+](CC(=O)NC)CCCO1 ZINC001149073944 782888237 /nfs/dbraw/zinc/88/82/37/782888237.db2.gz AOSZSLZCUCTCPH-LLVKDONJSA-N 1 2 287.360 -1.024 20 0 CAADLO CCOCC(=O)NC[C@@H]1C[N@@H+](CC(=O)NC)CCCO1 ZINC001149073944 782888239 /nfs/dbraw/zinc/88/82/39/782888239.db2.gz AOSZSLZCUCTCPH-LLVKDONJSA-N 1 2 287.360 -1.024 20 0 CAADLO CCOCC(=O)NC[C@H]1C[N@H+](CC(=O)NC)CCCO1 ZINC001149073945 782888543 /nfs/dbraw/zinc/88/85/43/782888543.db2.gz AOSZSLZCUCTCPH-NSHDSACASA-N 1 2 287.360 -1.024 20 0 CAADLO CCOCC(=O)NC[C@H]1C[N@@H+](CC(=O)NC)CCCO1 ZINC001149073945 782888546 /nfs/dbraw/zinc/88/85/46/782888546.db2.gz AOSZSLZCUCTCPH-NSHDSACASA-N 1 2 287.360 -1.024 20 0 CAADLO C[N@@H+]1CCO[C@H](C(=O)Nc2cc(C(N)=O)[nH]n2)C1 ZINC001116392450 782894883 /nfs/dbraw/zinc/89/48/83/782894883.db2.gz WWLYACPEMJDEQN-ZETCQYMHSA-N 1 2 253.262 -1.222 20 0 CAADLO C[N@H+]1CCO[C@H](C(=O)Nc2cc(C(N)=O)[nH]n2)C1 ZINC001116392450 782894888 /nfs/dbraw/zinc/89/48/88/782894888.db2.gz WWLYACPEMJDEQN-ZETCQYMHSA-N 1 2 253.262 -1.222 20 0 CAADLO NS(=O)(=O)CC1CC[NH+]([C@@H]2CCNC2=O)CC1 ZINC001116396955 782895230 /nfs/dbraw/zinc/89/52/30/782895230.db2.gz VXWHPIHXOGDOTB-SECBINFHSA-N 1 2 261.347 -1.125 20 0 CAADLO COC(=O)CNC(=O)C[N@@H+]1CC[C@H](NC(N)=O)C1 ZINC001116406435 782896261 /nfs/dbraw/zinc/89/62/61/782896261.db2.gz IVGIBQVZOVDWIB-ZETCQYMHSA-N 1 2 258.278 -1.982 20 0 CAADLO COC(=O)CNC(=O)C[N@H+]1CC[C@H](NC(N)=O)C1 ZINC001116406435 782896266 /nfs/dbraw/zinc/89/62/66/782896266.db2.gz IVGIBQVZOVDWIB-ZETCQYMHSA-N 1 2 258.278 -1.982 20 0 CAADLO C[C@@H](NC(=O)C[C@@H]1NC(=O)NC1=O)[C@H](C)[NH+]1CCOCC1 ZINC001116415335 782896302 /nfs/dbraw/zinc/89/63/02/782896302.db2.gz PZAUWIGHFRKWRV-UTLUCORTSA-N 1 2 298.343 -1.190 20 0 CAADLO COC(=O)CNC(=O)C[N@@H+]1CC[C@@H](NC(N)=O)C1 ZINC001116406434 782896316 /nfs/dbraw/zinc/89/63/16/782896316.db2.gz IVGIBQVZOVDWIB-SSDOTTSWSA-N 1 2 258.278 -1.982 20 0 CAADLO COC(=O)CNC(=O)C[N@H+]1CC[C@@H](NC(N)=O)C1 ZINC001116406434 782896319 /nfs/dbraw/zinc/89/63/19/782896319.db2.gz IVGIBQVZOVDWIB-SSDOTTSWSA-N 1 2 258.278 -1.982 20 0 CAADLO CC(C)N(C)C(=O)C[N@H+](C)CCNC(=O)CC(N)=O ZINC001266264097 775101851 /nfs/dbraw/zinc/10/18/51/775101851.db2.gz IIQCLOQWQQXOFA-UHFFFAOYSA-N 1 2 272.349 -1.223 20 0 CAADLO CC(C)N(C)C(=O)C[N@@H+](C)CCNC(=O)CC(N)=O ZINC001266264097 775101855 /nfs/dbraw/zinc/10/18/55/775101855.db2.gz IIQCLOQWQQXOFA-UHFFFAOYSA-N 1 2 272.349 -1.223 20 0 CAADLO C[N@H+](CCNC(=O)[C@H]1CCNC(=O)C1)CC(N)=O ZINC001266267485 775101015 /nfs/dbraw/zinc/10/10/15/775101015.db2.gz FQTZKJISMXILEK-QMMMGPOBSA-N 1 2 256.306 -1.954 20 0 CAADLO C[N@@H+](CCNC(=O)[C@H]1CCNC(=O)C1)CC(N)=O ZINC001266267485 775101021 /nfs/dbraw/zinc/10/10/21/775101021.db2.gz FQTZKJISMXILEK-QMMMGPOBSA-N 1 2 256.306 -1.954 20 0 CAADLO CNC(=O)C[N@H+](C)CCNC(=O)c1nnn(C)c1C ZINC001266265773 775101456 /nfs/dbraw/zinc/10/14/56/775101456.db2.gz MCOPPYIIWYEVER-UHFFFAOYSA-N 1 2 268.321 -1.469 20 0 CAADLO CNC(=O)C[N@@H+](C)CCNC(=O)c1nnn(C)c1C ZINC001266265773 775101458 /nfs/dbraw/zinc/10/14/58/775101458.db2.gz MCOPPYIIWYEVER-UHFFFAOYSA-N 1 2 268.321 -1.469 20 0 CAADLO CCn1ncc(C(=O)NCC[N@H+](C)CC(=O)NC)n1 ZINC001266272421 775103130 /nfs/dbraw/zinc/10/31/30/775103130.db2.gz WBAAUEBSXWDWTH-UHFFFAOYSA-N 1 2 268.321 -1.294 20 0 CAADLO CCn1ncc(C(=O)NCC[N@@H+](C)CC(=O)NC)n1 ZINC001266272421 775103134 /nfs/dbraw/zinc/10/31/34/775103134.db2.gz WBAAUEBSXWDWTH-UHFFFAOYSA-N 1 2 268.321 -1.294 20 0 CAADLO Cc1nnc(CC(=O)NCC[N@@H+](C)CC(N)=O)[nH]1 ZINC001266273466 775103471 /nfs/dbraw/zinc/10/34/71/775103471.db2.gz SCNKSKQYIKPKPK-UHFFFAOYSA-N 1 2 254.294 -1.811 20 0 CAADLO Cc1nnc(CC(=O)NCC[N@H+](C)CC(N)=O)[nH]1 ZINC001266273466 775103475 /nfs/dbraw/zinc/10/34/75/775103475.db2.gz SCNKSKQYIKPKPK-UHFFFAOYSA-N 1 2 254.294 -1.811 20 0 CAADLO CCNC(=O)C[N@H+](C)CCNC(=O)Cn1ncnn1 ZINC001266275074 775103577 /nfs/dbraw/zinc/10/35/77/775103577.db2.gz LZPZBLGZLXCLDN-UHFFFAOYSA-N 1 2 269.309 -2.143 20 0 CAADLO CCNC(=O)C[N@@H+](C)CCNC(=O)Cn1ncnn1 ZINC001266275074 775103582 /nfs/dbraw/zinc/10/35/82/775103582.db2.gz LZPZBLGZLXCLDN-UHFFFAOYSA-N 1 2 269.309 -2.143 20 0 CAADLO Cc1nc[nH]c1CC(=O)NCC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001149130795 775104832 /nfs/dbraw/zinc/10/48/32/775104832.db2.gz RCQGUZDMXQFSQT-UHFFFAOYSA-N 1 2 293.331 -1.412 20 0 CAADLO CCNC(=O)C[N@H+](C)CCNC(=O)[C@H]1CCCNC1=O ZINC001266285383 775105092 /nfs/dbraw/zinc/10/50/92/775105092.db2.gz WVJZYQVDZJRJKC-JTQLQIEISA-N 1 2 284.360 -1.303 20 0 CAADLO CCNC(=O)C[N@@H+](C)CCNC(=O)[C@H]1CCCNC1=O ZINC001266285383 775105101 /nfs/dbraw/zinc/10/51/01/775105101.db2.gz WVJZYQVDZJRJKC-JTQLQIEISA-N 1 2 284.360 -1.303 20 0 CAADLO NC(=O)C(=O)NCCN1CC[NH+](C/C=C\Cl)CC1 ZINC001266292334 775108825 /nfs/dbraw/zinc/10/88/25/775108825.db2.gz FEGHUKPAFLHMSG-UPHRSURJSA-N 1 2 274.752 -1.042 20 0 CAADLO CCN(C)C(=O)C[N@H+](C)CCNC(=O)c1cn[nH]n1 ZINC001266293062 775108852 /nfs/dbraw/zinc/10/88/52/775108852.db2.gz HASXVKPQJGADBV-UHFFFAOYSA-N 1 2 268.321 -1.055 20 0 CAADLO CCN(C)C(=O)C[N@@H+](C)CCNC(=O)c1cn[nH]n1 ZINC001266293062 775108856 /nfs/dbraw/zinc/10/88/56/775108856.db2.gz HASXVKPQJGADBV-UHFFFAOYSA-N 1 2 268.321 -1.055 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)c1cn[nH]n1 ZINC001266293226 775109053 /nfs/dbraw/zinc/10/90/53/775109053.db2.gz OCIWPPRSBLWSLG-SSDOTTSWSA-N 1 2 254.294 -1.399 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)c1cn[nH]n1 ZINC001266293226 775109057 /nfs/dbraw/zinc/10/90/57/775109057.db2.gz OCIWPPRSBLWSLG-SSDOTTSWSA-N 1 2 254.294 -1.399 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)c1cnn[nH]1 ZINC001266293226 775109063 /nfs/dbraw/zinc/10/90/63/775109063.db2.gz OCIWPPRSBLWSLG-SSDOTTSWSA-N 1 2 254.294 -1.399 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)c1cnn[nH]1 ZINC001266293226 775109068 /nfs/dbraw/zinc/10/90/68/775109068.db2.gz OCIWPPRSBLWSLG-SSDOTTSWSA-N 1 2 254.294 -1.399 20 0 CAADLO CN(CC1CC1)C(=O)C[N@@H+]1CC[C@H](NC(=O)C(N)=O)C1 ZINC001266339476 775116923 /nfs/dbraw/zinc/11/69/23/775116923.db2.gz QZINRJHWRHSECW-JTQLQIEISA-N 1 2 282.344 -1.469 20 0 CAADLO CN(CC1CC1)C(=O)C[N@H+]1CC[C@H](NC(=O)C(N)=O)C1 ZINC001266339476 775116929 /nfs/dbraw/zinc/11/69/29/775116929.db2.gz QZINRJHWRHSECW-JTQLQIEISA-N 1 2 282.344 -1.469 20 0 CAADLO C[C@H]1CCCN(C(=O)C(=O)NCC[N@H+](C)CC(N)=O)C1 ZINC001266332059 775117360 /nfs/dbraw/zinc/11/73/60/775117360.db2.gz ASQYLLCCXHZRNV-JTQLQIEISA-N 1 2 284.360 -1.222 20 0 CAADLO C[C@H]1CCCN(C(=O)C(=O)NCC[N@@H+](C)CC(N)=O)C1 ZINC001266332059 775117364 /nfs/dbraw/zinc/11/73/64/775117364.db2.gz ASQYLLCCXHZRNV-JTQLQIEISA-N 1 2 284.360 -1.222 20 0 CAADLO NC(=O)CN1CC[C@@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001266333879 775117424 /nfs/dbraw/zinc/11/74/24/775117424.db2.gz VOTXNZTYDZZGDH-SNVBAGLBSA-N 1 2 265.317 -1.051 20 0 CAADLO CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C2(C(N)=O)CC2)C1 ZINC001266339158 775118010 /nfs/dbraw/zinc/11/80/10/775118010.db2.gz KPYCBIIMLGRPCX-SECBINFHSA-N 1 2 282.344 -1.422 20 0 CAADLO CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)C2(C(N)=O)CC2)C1 ZINC001266339158 775118014 /nfs/dbraw/zinc/11/80/14/775118014.db2.gz KPYCBIIMLGRPCX-SECBINFHSA-N 1 2 282.344 -1.422 20 0 CAADLO CCCn1cc(C(=O)NCC[N@H+](C)CC(N)=O)nn1 ZINC001266342851 775119386 /nfs/dbraw/zinc/11/93/86/775119386.db2.gz XQIJXFZYSKJCCE-UHFFFAOYSA-N 1 2 268.321 -1.165 20 0 CAADLO CCCn1cc(C(=O)NCC[N@@H+](C)CC(N)=O)nn1 ZINC001266342851 775119395 /nfs/dbraw/zinc/11/93/95/775119395.db2.gz XQIJXFZYSKJCCE-UHFFFAOYSA-N 1 2 268.321 -1.165 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)C2(C(N)=O)CC2)C1 ZINC001266339842 775120107 /nfs/dbraw/zinc/12/01/07/775120107.db2.gz YZQHMKDSEAMNTO-HTQZYQBOSA-N 1 2 268.317 -1.684 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)C2(C(N)=O)CC2)C1 ZINC001266339842 775120117 /nfs/dbraw/zinc/12/01/17/775120117.db2.gz YZQHMKDSEAMNTO-HTQZYQBOSA-N 1 2 268.317 -1.684 20 0 CAADLO CC[C@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)C(=O)NCC2CC2)C1 ZINC001266350807 775120944 /nfs/dbraw/zinc/12/09/44/775120944.db2.gz YDQBCJPIMOJNLQ-GHMZBOCLSA-N 1 2 296.371 -1.033 20 0 CAADLO CC[C@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)C(=O)NCC2CC2)C1 ZINC001266350807 775120948 /nfs/dbraw/zinc/12/09/48/775120948.db2.gz YDQBCJPIMOJNLQ-GHMZBOCLSA-N 1 2 296.371 -1.033 20 0 CAADLO Cn1ncc2c1nc[nH+]c2N1CC[C@H](NC(=O)C(N)=O)C1 ZINC001058528973 775121369 /nfs/dbraw/zinc/12/13/69/775121369.db2.gz SYTBDDCYTZXITM-ZETCQYMHSA-N 1 2 289.299 -1.457 20 0 CAADLO Cn1ncc2c1nc[nH+]c2N1CC[C@@H](NC(=O)C(N)=O)C1 ZINC001058528972 775121621 /nfs/dbraw/zinc/12/16/21/775121621.db2.gz SYTBDDCYTZXITM-SSDOTTSWSA-N 1 2 289.299 -1.457 20 0 CAADLO C[N@H+](CCNC(=O)[C@H]1C[C@]12CCOC2)CC(N)=O ZINC001266347211 775121769 /nfs/dbraw/zinc/12/17/69/775121769.db2.gz IDZBAAOHMRXHPV-SKDRFNHKSA-N 1 2 255.318 -1.054 20 0 CAADLO C[N@@H+](CCNC(=O)[C@H]1C[C@]12CCOC2)CC(N)=O ZINC001266347211 775121777 /nfs/dbraw/zinc/12/17/77/775121777.db2.gz IDZBAAOHMRXHPV-SKDRFNHKSA-N 1 2 255.318 -1.054 20 0 CAADLO C[N@H+](CCNC(=O)c1ccc(=O)[nH]c1)CC(N)=O ZINC001266354814 775123233 /nfs/dbraw/zinc/12/32/33/775123233.db2.gz OEUQJTJKNVDNRP-UHFFFAOYSA-N 1 2 252.274 -1.066 20 0 CAADLO C[N@@H+](CCNC(=O)c1ccc(=O)[nH]c1)CC(N)=O ZINC001266354814 775123240 /nfs/dbraw/zinc/12/32/40/775123240.db2.gz OEUQJTJKNVDNRP-UHFFFAOYSA-N 1 2 252.274 -1.066 20 0 CAADLO CN(C)C(=O)C[N@H+](C)CCNC(=O)Cn1cncn1 ZINC001266356474 775123813 /nfs/dbraw/zinc/12/38/13/775123813.db2.gz FIZZLVNMULRZEZ-UHFFFAOYSA-N 1 2 268.321 -1.586 20 0 CAADLO CN(C)C(=O)C[N@@H+](C)CCNC(=O)Cn1cncn1 ZINC001266356474 775123819 /nfs/dbraw/zinc/12/38/19/775123819.db2.gz FIZZLVNMULRZEZ-UHFFFAOYSA-N 1 2 268.321 -1.586 20 0 CAADLO CC(C)C[C@@H](C(N)=O)C(=O)N[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001266363626 775125365 /nfs/dbraw/zinc/12/53/65/775125365.db2.gz KNWCNRBFVXBHKK-ZJUUUORDSA-N 1 2 284.360 -1.190 20 0 CAADLO CC(C)C[C@@H](C(N)=O)C(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001266363626 775125371 /nfs/dbraw/zinc/12/53/71/775125371.db2.gz KNWCNRBFVXBHKK-ZJUUUORDSA-N 1 2 284.360 -1.190 20 0 CAADLO CNC(=O)C[N@H+](C)CCNC(=O)C[C@@H]1CC(=O)NC1=O ZINC001266367632 775125392 /nfs/dbraw/zinc/12/53/92/775125392.db2.gz GLZKYBNDTVPSFL-MRVPVSSYSA-N 1 2 284.316 -2.167 20 0 CAADLO CNC(=O)C[N@@H+](C)CCNC(=O)C[C@@H]1CC(=O)NC1=O ZINC001266367632 775125397 /nfs/dbraw/zinc/12/53/97/775125397.db2.gz GLZKYBNDTVPSFL-MRVPVSSYSA-N 1 2 284.316 -2.167 20 0 CAADLO CC(C)C[C@H](C(N)=O)C(=O)N[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001266363625 775126185 /nfs/dbraw/zinc/12/61/85/775126185.db2.gz KNWCNRBFVXBHKK-VHSXEESVSA-N 1 2 284.360 -1.190 20 0 CAADLO CC(C)C[C@H](C(N)=O)C(=O)N[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001266363625 775126193 /nfs/dbraw/zinc/12/61/93/775126193.db2.gz KNWCNRBFVXBHKK-VHSXEESVSA-N 1 2 284.360 -1.190 20 0 CAADLO Cn1nnc(C[NH2+][C@@H](CNC(=O)CC(N)=O)C2CC2)n1 ZINC001266400949 775127087 /nfs/dbraw/zinc/12/70/87/775127087.db2.gz FNMKRFPIGXFPLV-QMMMGPOBSA-N 1 2 281.320 -1.930 20 0 CAADLO Cc1ncoc1C(=O)NCC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001125317101 775127623 /nfs/dbraw/zinc/12/76/23/775127623.db2.gz BWXLKIKNMWBOFW-UHFFFAOYSA-N 1 2 280.288 -1.076 20 0 CAADLO C[C@H](C(=O)N1CCC[C@@H]1CO)N1CC[NH2+]CC1=O ZINC000705735080 775128276 /nfs/dbraw/zinc/12/82/76/775128276.db2.gz BJBYICOJBNNPET-NXEZZACHSA-N 1 2 255.318 -1.210 20 0 CAADLO CC[C@@H](NC(C)=O)C(=O)NCCC[NH2+]Cc1nnn(C)n1 ZINC001167177623 775129546 /nfs/dbraw/zinc/12/95/46/775129546.db2.gz XPUMIXCGMIJCFD-SNVBAGLBSA-N 1 2 297.363 -1.279 20 0 CAADLO CC[N@H+](CCNC(=O)C(N)=O)CC(=O)NCC1CCC1 ZINC001266413414 775130109 /nfs/dbraw/zinc/13/01/09/775130109.db2.gz MJNMNAOFLDXOSP-UHFFFAOYSA-N 1 2 284.360 -1.174 20 0 CAADLO CC[N@@H+](CCNC(=O)C(N)=O)CC(=O)NCC1CCC1 ZINC001266413414 775130112 /nfs/dbraw/zinc/13/01/12/775130112.db2.gz MJNMNAOFLDXOSP-UHFFFAOYSA-N 1 2 284.360 -1.174 20 0 CAADLO O=C(CCc1cn[nH]n1)N1CCO[C@@H]2C[N@@H+](CCO)C[C@@H]21 ZINC001083198058 775131834 /nfs/dbraw/zinc/13/18/34/775131834.db2.gz YOIKPMXAMFSEKA-NWDGAFQWSA-N 1 2 295.343 -1.359 20 0 CAADLO O=C(CCc1cn[nH]n1)N1CCO[C@@H]2C[N@H+](CCO)C[C@@H]21 ZINC001083198058 775131846 /nfs/dbraw/zinc/13/18/46/775131846.db2.gz YOIKPMXAMFSEKA-NWDGAFQWSA-N 1 2 295.343 -1.359 20 0 CAADLO O=C(CCc1c[nH]nn1)N1CCO[C@@H]2C[N@@H+](CCO)C[C@@H]21 ZINC001083198058 775131858 /nfs/dbraw/zinc/13/18/58/775131858.db2.gz YOIKPMXAMFSEKA-NWDGAFQWSA-N 1 2 295.343 -1.359 20 0 CAADLO O=C(CN1CC[NH2+]CC1=O)NCCn1cncn1 ZINC000705887899 775132049 /nfs/dbraw/zinc/13/20/49/775132049.db2.gz ODKRJBLWJWGHDW-UHFFFAOYSA-N 1 2 252.278 -2.174 20 0 CAADLO Cn1cnnc1CCNC(=O)CN1CC[NH2+]CC1=O ZINC000705916026 775132365 /nfs/dbraw/zinc/13/23/65/775132365.db2.gz VZAIXRFGCRNRLD-UHFFFAOYSA-N 1 2 266.305 -2.094 20 0 CAADLO CCCNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)C(N)=O ZINC001266479963 775134740 /nfs/dbraw/zinc/13/47/40/775134740.db2.gz HFWZGSWYAZPRKR-VIFPVBQESA-N 1 2 270.333 -1.422 20 0 CAADLO CCCNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)C(N)=O ZINC001266479963 775134744 /nfs/dbraw/zinc/13/47/44/775134744.db2.gz HFWZGSWYAZPRKR-VIFPVBQESA-N 1 2 270.333 -1.422 20 0 CAADLO Cn1nnc(C[NH2+]CCCNC(=O)c2ccnnc2)n1 ZINC001167277242 775135017 /nfs/dbraw/zinc/13/50/17/775135017.db2.gz NUENZKMAVNHBNJ-UHFFFAOYSA-N 1 2 276.304 -1.090 20 0 CAADLO C[C@H]1COCCN(C(=O)CN2CC[NH2+]CC2=O)C1 ZINC000705953053 775135570 /nfs/dbraw/zinc/13/55/70/775135570.db2.gz FCRMVOSLFVPNBX-SNVBAGLBSA-N 1 2 255.318 -1.087 20 0 CAADLO C[C@H](c1nnnn1C)[N@@H+]1CC[C@H](CNC(=O)CC(N)=O)C1 ZINC001266506536 775136702 /nfs/dbraw/zinc/13/67/02/775136702.db2.gz XYAVQOSXRFASBI-RKDXNWHRSA-N 1 2 295.347 -1.415 20 0 CAADLO C[C@H](c1nnnn1C)[N@H+]1CC[C@H](CNC(=O)CC(N)=O)C1 ZINC001266506536 775136711 /nfs/dbraw/zinc/13/67/11/775136711.db2.gz XYAVQOSXRFASBI-RKDXNWHRSA-N 1 2 295.347 -1.415 20 0 CAADLO C[C@H](c1nnnn1C)[N@@H+]1CC[C@@H](CNC(=O)CC(N)=O)C1 ZINC001266506533 775137049 /nfs/dbraw/zinc/13/70/49/775137049.db2.gz XYAVQOSXRFASBI-BDAKNGLRSA-N 1 2 295.347 -1.415 20 0 CAADLO C[C@H](c1nnnn1C)[N@H+]1CC[C@@H](CNC(=O)CC(N)=O)C1 ZINC001266506533 775137056 /nfs/dbraw/zinc/13/70/56/775137056.db2.gz XYAVQOSXRFASBI-BDAKNGLRSA-N 1 2 295.347 -1.415 20 0 CAADLO C[C@@H](c1nnnn1C)[N@@H+]1CC[C@@H](CNC(=O)CC(N)=O)C1 ZINC001266506535 775137260 /nfs/dbraw/zinc/13/72/60/775137260.db2.gz XYAVQOSXRFASBI-IUCAKERBSA-N 1 2 295.347 -1.415 20 0 CAADLO C[C@@H](c1nnnn1C)[N@H+]1CC[C@@H](CNC(=O)CC(N)=O)C1 ZINC001266506535 775137265 /nfs/dbraw/zinc/13/72/65/775137265.db2.gz XYAVQOSXRFASBI-IUCAKERBSA-N 1 2 295.347 -1.415 20 0 CAADLO NC(=O)C(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3nncs3)C[C@H]21 ZINC001282875027 775137672 /nfs/dbraw/zinc/13/76/72/775137672.db2.gz QBAGGUSQEBBGSX-WHUPJOBBSA-N 1 2 281.341 -1.183 20 0 CAADLO NC(=O)C(=O)NC[C@@H]1[C@H]2C[N@H+](Cc3nncs3)C[C@H]21 ZINC001282875027 775137680 /nfs/dbraw/zinc/13/76/80/775137680.db2.gz QBAGGUSQEBBGSX-WHUPJOBBSA-N 1 2 281.341 -1.183 20 0 CAADLO C[C@H]([NH2+]CCNC(=O)CCc1nnc[nH]1)c1nnnn1C ZINC001125408593 775144133 /nfs/dbraw/zinc/14/41/33/775144133.db2.gz BZSXEEIDIAOOMA-QMMMGPOBSA-N 1 2 293.335 -1.272 20 0 CAADLO NC(=O)CN1C[C@H]2OCCN(C(=O)Cc3c[nH+]c[nH]3)[C@H]2C1 ZINC001083207740 775148434 /nfs/dbraw/zinc/14/84/34/775148434.db2.gz MDAGBZVGHJUYII-WDEREUQCSA-N 1 2 293.327 -1.651 20 0 CAADLO Cn1nnc(C[NH2+][C@H]2C[C@H](NC(=O)CC(N)=O)C2)n1 ZINC001266584321 775148498 /nfs/dbraw/zinc/14/84/98/775148498.db2.gz ACLDYFFTVRVJTC-LJGSYFOKSA-N 1 2 267.293 -2.178 20 0 CAADLO CC(=O)N1CC(C(=O)NC[C@@H]2CC[N@H+]2CC(=O)N(C)C)C1 ZINC001038202624 775153777 /nfs/dbraw/zinc/15/37/77/775153777.db2.gz ZATYAWOYOHJNCY-LBPRGKRZSA-N 1 2 296.371 -1.257 20 0 CAADLO CC(=O)N1CC(C(=O)NC[C@@H]2CC[N@@H+]2CC(=O)N(C)C)C1 ZINC001038202624 775153785 /nfs/dbraw/zinc/15/37/85/775153785.db2.gz ZATYAWOYOHJNCY-LBPRGKRZSA-N 1 2 296.371 -1.257 20 0 CAADLO CCn1cnnc1CNC(=O)CN1CC[NH2+]CC1=O ZINC000706620326 775155411 /nfs/dbraw/zinc/15/54/11/775155411.db2.gz GJULRHRJLOTWFW-UHFFFAOYSA-N 1 2 266.305 -1.654 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+]1CC[C@H]1CNC(=O)C1CN(C(C)=O)C1 ZINC001038205244 775156428 /nfs/dbraw/zinc/15/64/28/775156428.db2.gz RKQYTIIAAGODMC-CABZTGNLSA-N 1 2 296.371 -1.210 20 0 CAADLO CNC(=O)[C@H](C)[N@H+]1CC[C@H]1CNC(=O)C1CN(C(C)=O)C1 ZINC001038205244 775156435 /nfs/dbraw/zinc/15/64/35/775156435.db2.gz RKQYTIIAAGODMC-CABZTGNLSA-N 1 2 296.371 -1.210 20 0 CAADLO CC[C@@H](C(N)=O)[N@@H+]1CC[C@@H]1CNC(=O)C1CN(C(C)=O)C1 ZINC001038205424 775157426 /nfs/dbraw/zinc/15/74/26/775157426.db2.gz SJGCGPDBGIYVNL-NEPJUHHUSA-N 1 2 296.371 -1.081 20 0 CAADLO CC[C@@H](C(N)=O)[N@H+]1CC[C@@H]1CNC(=O)C1CN(C(C)=O)C1 ZINC001038205424 775157434 /nfs/dbraw/zinc/15/74/34/775157434.db2.gz SJGCGPDBGIYVNL-NEPJUHHUSA-N 1 2 296.371 -1.081 20 0 CAADLO O=C(NC[C@H]1CC[N@@H+]1[C@H]1CCNC1=O)c1ccc(=O)[nH]n1 ZINC001038038086 775160939 /nfs/dbraw/zinc/16/09/39/775160939.db2.gz VDTCTDFGAUYLPT-SCZZXKLOSA-N 1 2 291.311 -1.125 20 0 CAADLO O=C(NC[C@H]1CC[N@H+]1[C@H]1CCNC1=O)c1ccc(=O)[nH]n1 ZINC001038038086 775160947 /nfs/dbraw/zinc/16/09/47/775160947.db2.gz VDTCTDFGAUYLPT-SCZZXKLOSA-N 1 2 291.311 -1.125 20 0 CAADLO CN(CC[NH2+]Cc1nc(=O)n(C)[nH]1)C(=O)c1ncn(C)n1 ZINC001266690192 775161803 /nfs/dbraw/zinc/16/18/03/775161803.db2.gz OPCCHRLLYYPZFH-UHFFFAOYSA-N 1 2 294.319 -1.901 20 0 CAADLO Cn1nncc1C(=O)NC[C@H]1CC[N@@H+]1CCn1cncn1 ZINC001038210467 775166972 /nfs/dbraw/zinc/16/69/72/775166972.db2.gz DRDYZOAPGRRGDT-SNVBAGLBSA-N 1 2 290.331 -1.089 20 0 CAADLO Cn1nncc1C(=O)NC[C@H]1CC[N@H+]1CCn1cncn1 ZINC001038210467 775166978 /nfs/dbraw/zinc/16/69/78/775166978.db2.gz DRDYZOAPGRRGDT-SNVBAGLBSA-N 1 2 290.331 -1.089 20 0 CAADLO Cn1ncnc1C[N@@H+]1CCC[C@@H](CNC(=O)C(N)=O)C1 ZINC001266761100 775169024 /nfs/dbraw/zinc/16/90/24/775169024.db2.gz TVTUTWXZRMRAMW-VIFPVBQESA-N 1 2 280.332 -1.371 20 0 CAADLO Cn1ncnc1C[N@H+]1CCC[C@@H](CNC(=O)C(N)=O)C1 ZINC001266761100 775169025 /nfs/dbraw/zinc/16/90/25/775169025.db2.gz TVTUTWXZRMRAMW-VIFPVBQESA-N 1 2 280.332 -1.371 20 0 CAADLO Cn1nnc(C[NH2+][C@H]2C[C@@H](NC(=O)c3ncc[nH]3)C2)n1 ZINC001022055990 775172067 /nfs/dbraw/zinc/17/20/67/775172067.db2.gz ZKGOVMVMOZAWED-OCAPTIKFSA-N 1 2 276.304 -1.016 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C1(C(N)=O)CC1 ZINC001039429615 775176734 /nfs/dbraw/zinc/17/67/34/775176734.db2.gz XFTICEQXKYDBEZ-ZJUUUORDSA-N 1 2 294.355 -1.198 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C1(C(N)=O)CC1 ZINC001039429615 775176741 /nfs/dbraw/zinc/17/67/41/775176741.db2.gz XFTICEQXKYDBEZ-ZJUUUORDSA-N 1 2 294.355 -1.198 20 0 CAADLO COC(=O)Cn1cc(NC(=O)[C@@H]2COCC[NH2+]2)cn1 ZINC000707316323 775177536 /nfs/dbraw/zinc/17/75/36/775177536.db2.gz VRCUSQFMYYEHPQ-VIFPVBQESA-N 1 2 268.273 -1.017 20 0 CAADLO Cc1cc(CC(=O)NCC[NH2+]Cc2nnnn2C)n[nH]1 ZINC001125541961 775178699 /nfs/dbraw/zinc/17/86/99/775178699.db2.gz IZZPNGMTPARBFL-UHFFFAOYSA-N 1 2 278.320 -1.310 20 0 CAADLO Cc1cc(CC(=O)NCC[NH2+]Cc2nnnn2C)[nH]n1 ZINC001125541961 775178703 /nfs/dbraw/zinc/17/87/03/775178703.db2.gz IZZPNGMTPARBFL-UHFFFAOYSA-N 1 2 278.320 -1.310 20 0 CAADLO Cn1cc(C(=O)NC[C@H]2CC[N@@H+]2[C@@H]2CCCNC2=O)nn1 ZINC001038228224 775185002 /nfs/dbraw/zinc/18/50/02/775185002.db2.gz WQDGSOLTNVEQLU-MWLCHTKSSA-N 1 2 292.343 -1.102 20 0 CAADLO Cn1cc(C(=O)NC[C@H]2CC[N@H+]2[C@@H]2CCCNC2=O)nn1 ZINC001038228224 775185008 /nfs/dbraw/zinc/18/50/08/775185008.db2.gz WQDGSOLTNVEQLU-MWLCHTKSSA-N 1 2 292.343 -1.102 20 0 CAADLO CCCCn1nnnc1C[NH2+][C@@H](C)CNC(=O)C(N)=O ZINC001266967142 775189939 /nfs/dbraw/zinc/18/99/39/775189939.db2.gz IRSGYETVLMJTNQ-QMMMGPOBSA-N 1 2 283.336 -1.447 20 0 CAADLO C[C@@H](CNC(=O)Cn1cncn1)[NH2+]Cc1cnon1 ZINC001266991856 775190900 /nfs/dbraw/zinc/19/09/00/775190900.db2.gz SVHUJVCXHCFKDW-QMMMGPOBSA-N 1 2 265.277 -1.044 20 0 CAADLO NC(=O)[C@H](CO)NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001140505521 775192095 /nfs/dbraw/zinc/19/20/95/775192095.db2.gz PTHRHUQLMRONPZ-CBAPKCEASA-N 1 2 252.274 -1.592 20 0 CAADLO CS(=O)(=O)CC(=O)N1CC[C@@H]2CC[N@H+](CCO)[C@@H]2C1 ZINC001041968530 775202050 /nfs/dbraw/zinc/20/20/50/775202050.db2.gz GSCYEXBOXDGBSM-WDEREUQCSA-N 1 2 290.385 -1.054 20 0 CAADLO CS(=O)(=O)CC(=O)N1CC[C@@H]2CC[N@@H+](CCO)[C@@H]2C1 ZINC001041968530 775202059 /nfs/dbraw/zinc/20/20/59/775202059.db2.gz GSCYEXBOXDGBSM-WDEREUQCSA-N 1 2 290.385 -1.054 20 0 CAADLO CO[C@@H]1C[N@@H+]([C@@H](C)C(N)=O)C[C@H]1NC(=O)C1(C(N)=O)CC1 ZINC001213367537 775203506 /nfs/dbraw/zinc/20/35/06/775203506.db2.gz VNLXWQMIZSUTCW-DJLDLDEBSA-N 1 2 298.343 -2.059 20 0 CAADLO CO[C@@H]1C[N@H+]([C@@H](C)C(N)=O)C[C@H]1NC(=O)C1(C(N)=O)CC1 ZINC001213367537 775203511 /nfs/dbraw/zinc/20/35/11/775203511.db2.gz VNLXWQMIZSUTCW-DJLDLDEBSA-N 1 2 298.343 -2.059 20 0 CAADLO CO[C@@H]1C[N@@H+]([C@H](C)C(N)=O)C[C@H]1NC(=O)C1(C(N)=O)CC1 ZINC001213367539 775204562 /nfs/dbraw/zinc/20/45/62/775204562.db2.gz VNLXWQMIZSUTCW-IWSPIJDZSA-N 1 2 298.343 -2.059 20 0 CAADLO CO[C@@H]1C[N@H+]([C@H](C)C(N)=O)C[C@H]1NC(=O)C1(C(N)=O)CC1 ZINC001213367539 775204566 /nfs/dbraw/zinc/20/45/66/775204566.db2.gz VNLXWQMIZSUTCW-IWSPIJDZSA-N 1 2 298.343 -2.059 20 0 CAADLO Cn1[nH]c(C[NH2+]CCNC(=O)[C@@H]2CCNC(=O)C2)nc1=O ZINC001125615557 775205948 /nfs/dbraw/zinc/20/59/48/775205948.db2.gz MQTBAKDQTVTYRI-MRVPVSSYSA-N 1 2 296.331 -2.160 20 0 CAADLO Cc1cnc(C(=O)NCC[N@@H+](C)CC(N)=O)cn1 ZINC001267183400 775208337 /nfs/dbraw/zinc/20/83/37/775208337.db2.gz OYERVQYJWWNSTI-UHFFFAOYSA-N 1 2 251.290 -1.068 20 0 CAADLO Cc1cnc(C(=O)NCC[N@H+](C)CC(N)=O)cn1 ZINC001267183400 775208342 /nfs/dbraw/zinc/20/83/42/775208342.db2.gz OYERVQYJWWNSTI-UHFFFAOYSA-N 1 2 251.290 -1.068 20 0 CAADLO C[C@@H](C(=O)NCC[N@H+](C)CC(N)=O)n1cncn1 ZINC001267193072 775210293 /nfs/dbraw/zinc/21/02/93/775210293.db2.gz XDKSNAORRACSTI-QMMMGPOBSA-N 1 2 254.294 -1.628 20 0 CAADLO C[C@@H](C(=O)NCC[N@@H+](C)CC(N)=O)n1cncn1 ZINC001267193072 775210296 /nfs/dbraw/zinc/21/02/96/775210296.db2.gz XDKSNAORRACSTI-QMMMGPOBSA-N 1 2 254.294 -1.628 20 0 CAADLO C[N@H+](CCNC(=O)CC(N)=O)CC(=O)NCc1ccco1 ZINC001267189703 775210343 /nfs/dbraw/zinc/21/03/43/775210343.db2.gz QVDCKXRTYWNSJN-UHFFFAOYSA-N 1 2 296.327 -1.181 20 0 CAADLO C[N@@H+](CCNC(=O)CC(N)=O)CC(=O)NCc1ccco1 ZINC001267189703 775210352 /nfs/dbraw/zinc/21/03/52/775210352.db2.gz QVDCKXRTYWNSJN-UHFFFAOYSA-N 1 2 296.327 -1.181 20 0 CAADLO C[N@H+](CCNC(=O)[C@H]1CCCNC1=O)CC(=O)NC1CC1 ZINC001267201245 775212012 /nfs/dbraw/zinc/21/20/12/775212012.db2.gz ZNTHNPYPTAUVEN-NSHDSACASA-N 1 2 296.371 -1.161 20 0 CAADLO C[N@@H+](CCNC(=O)[C@H]1CCCNC1=O)CC(=O)NC1CC1 ZINC001267201245 775212019 /nfs/dbraw/zinc/21/20/19/775212019.db2.gz ZNTHNPYPTAUVEN-NSHDSACASA-N 1 2 296.371 -1.161 20 0 CAADLO C[N@H+](CCNC(=O)[C@@H]1CCCNC1=O)CC(=O)NC1CC1 ZINC001267201244 775213482 /nfs/dbraw/zinc/21/34/82/775213482.db2.gz ZNTHNPYPTAUVEN-LLVKDONJSA-N 1 2 296.371 -1.161 20 0 CAADLO C[N@@H+](CCNC(=O)[C@@H]1CCCNC1=O)CC(=O)NC1CC1 ZINC001267201244 775213488 /nfs/dbraw/zinc/21/34/88/775213488.db2.gz ZNTHNPYPTAUVEN-LLVKDONJSA-N 1 2 296.371 -1.161 20 0 CAADLO COc1ncc(C[N@H+](C)CCNC(=O)C(N)=O)c(C)n1 ZINC001267214071 775214908 /nfs/dbraw/zinc/21/49/08/775214908.db2.gz JGNPHESHRSXXLD-UHFFFAOYSA-N 1 2 281.316 -1.173 20 0 CAADLO COc1ncc(C[N@@H+](C)CCNC(=O)C(N)=O)c(C)n1 ZINC001267214071 775214912 /nfs/dbraw/zinc/21/49/12/775214912.db2.gz JGNPHESHRSXXLD-UHFFFAOYSA-N 1 2 281.316 -1.173 20 0 CAADLO CN(C)C(=O)C[N@H+](C)CCNC(=O)[C@@]1(C)CCNC1=O ZINC001267216768 775215479 /nfs/dbraw/zinc/21/54/79/775215479.db2.gz ZZTFMHBAHRKJMU-ZDUSSCGKSA-N 1 2 284.360 -1.351 20 0 CAADLO CN(C)C(=O)C[N@@H+](C)CCNC(=O)[C@@]1(C)CCNC1=O ZINC001267216768 775215486 /nfs/dbraw/zinc/21/54/86/775215486.db2.gz ZZTFMHBAHRKJMU-ZDUSSCGKSA-N 1 2 284.360 -1.351 20 0 CAADLO CCNC(=O)C[N@H+](C)CCNC(=O)C1(C(N)=O)CC1 ZINC001267214218 775215693 /nfs/dbraw/zinc/21/56/93/775215693.db2.gz OXUHHXKVXOMNLO-UHFFFAOYSA-N 1 2 270.333 -1.564 20 0 CAADLO CCNC(=O)C[N@@H+](C)CCNC(=O)C1(C(N)=O)CC1 ZINC001267214218 775215697 /nfs/dbraw/zinc/21/56/97/775215697.db2.gz OXUHHXKVXOMNLO-UHFFFAOYSA-N 1 2 270.333 -1.564 20 0 CAADLO C[N@H+](CCNC(=O)c1ccc(C(N)=O)[nH]1)CC(N)=O ZINC001267217235 775216199 /nfs/dbraw/zinc/21/61/99/775216199.db2.gz BOCHVHZWKHMVEW-UHFFFAOYSA-N 1 2 267.289 -1.740 20 0 CAADLO C[N@@H+](CCNC(=O)c1ccc(C(N)=O)[nH]1)CC(N)=O ZINC001267217235 775216202 /nfs/dbraw/zinc/21/62/02/775216202.db2.gz BOCHVHZWKHMVEW-UHFFFAOYSA-N 1 2 267.289 -1.740 20 0 CAADLO CCNC(=O)C[N@H+](C)CCNC(=O)c1cnon1 ZINC001267223957 775217082 /nfs/dbraw/zinc/21/70/82/775217082.db2.gz VNDCAOZQQKRMDK-UHFFFAOYSA-N 1 2 255.278 -1.133 20 0 CAADLO CCNC(=O)C[N@@H+](C)CCNC(=O)c1cnon1 ZINC001267223957 775217090 /nfs/dbraw/zinc/21/70/90/775217090.db2.gz VNDCAOZQQKRMDK-UHFFFAOYSA-N 1 2 255.278 -1.133 20 0 CAADLO CNC(=O)C[N@H+](C)CCNC(=O)Cc1cncn1C ZINC001267226168 775218304 /nfs/dbraw/zinc/21/83/04/775218304.db2.gz OLWMPDUTWPJVHZ-UHFFFAOYSA-N 1 2 267.333 -1.243 20 0 CAADLO CNC(=O)C[N@@H+](C)CCNC(=O)Cc1cncn1C ZINC001267226168 775218312 /nfs/dbraw/zinc/21/83/12/775218312.db2.gz OLWMPDUTWPJVHZ-UHFFFAOYSA-N 1 2 267.333 -1.243 20 0 CAADLO C[N@H+](CCNC(=O)c1c[nH]c(C(N)=O)c1)CC(N)=O ZINC001267230129 775218601 /nfs/dbraw/zinc/21/86/01/775218601.db2.gz IXFRIHMORZMRQG-UHFFFAOYSA-N 1 2 267.289 -1.740 20 0 CAADLO C[N@@H+](CCNC(=O)c1c[nH]c(C(N)=O)c1)CC(N)=O ZINC001267230129 775218604 /nfs/dbraw/zinc/21/86/04/775218604.db2.gz IXFRIHMORZMRQG-UHFFFAOYSA-N 1 2 267.289 -1.740 20 0 CAADLO C[N@H+](CCNC(=O)Cc1nnc[nH]1)[C@@H]1CCNC1=O ZINC001267224445 775218951 /nfs/dbraw/zinc/21/89/51/775218951.db2.gz DGOFESFIVJXBKS-MRVPVSSYSA-N 1 2 266.305 -1.716 20 0 CAADLO C[N@@H+](CCNC(=O)Cc1nnc[nH]1)[C@@H]1CCNC1=O ZINC001267224445 775218955 /nfs/dbraw/zinc/21/89/55/775218955.db2.gz DGOFESFIVJXBKS-MRVPVSSYSA-N 1 2 266.305 -1.716 20 0 CAADLO C[N@H+](CCNC(=O)Cc1nnc[nH]1)[C@H]1CCNC1=O ZINC001267224448 775219082 /nfs/dbraw/zinc/21/90/82/775219082.db2.gz DGOFESFIVJXBKS-QMMMGPOBSA-N 1 2 266.305 -1.716 20 0 CAADLO C[N@@H+](CCNC(=O)Cc1nnc[nH]1)[C@H]1CCNC1=O ZINC001267224448 775219091 /nfs/dbraw/zinc/21/90/91/775219091.db2.gz DGOFESFIVJXBKS-QMMMGPOBSA-N 1 2 266.305 -1.716 20 0 CAADLO CC[N@H+](CCNC(=O)C(N)=O)Cc1cncn1C ZINC001267249559 775219694 /nfs/dbraw/zinc/21/96/94/775219694.db2.gz ZJUBGZMMTSCMNR-UHFFFAOYSA-N 1 2 253.306 -1.157 20 0 CAADLO CC[N@@H+](CCNC(=O)C(N)=O)Cc1cncn1C ZINC001267249559 775219707 /nfs/dbraw/zinc/21/97/07/775219707.db2.gz ZJUBGZMMTSCMNR-UHFFFAOYSA-N 1 2 253.306 -1.157 20 0 CAADLO CC[N@H+](CCNC(=O)c1nnc[nH]1)[C@H](C)C(N)=O ZINC001267252814 775221297 /nfs/dbraw/zinc/22/12/97/775221297.db2.gz ALBHRCHUGZMLAZ-SSDOTTSWSA-N 1 2 254.294 -1.270 20 0 CAADLO CC[N@@H+](CCNC(=O)c1nnc[nH]1)[C@H](C)C(N)=O ZINC001267252814 775221305 /nfs/dbraw/zinc/22/13/05/775221305.db2.gz ALBHRCHUGZMLAZ-SSDOTTSWSA-N 1 2 254.294 -1.270 20 0 CAADLO CC[N@H+](CCNC(=O)c1ncn[nH]1)[C@H](C)C(N)=O ZINC001267252814 775221314 /nfs/dbraw/zinc/22/13/14/775221314.db2.gz ALBHRCHUGZMLAZ-SSDOTTSWSA-N 1 2 254.294 -1.270 20 0 CAADLO CC[N@@H+](CCNC(=O)c1ncn[nH]1)[C@H](C)C(N)=O ZINC001267252814 775221319 /nfs/dbraw/zinc/22/13/19/775221319.db2.gz ALBHRCHUGZMLAZ-SSDOTTSWSA-N 1 2 254.294 -1.270 20 0 CAADLO Cn1nccc1C[N@@H+]1CCC[C@H]1CNC(=O)C(N)=O ZINC001267274277 775224153 /nfs/dbraw/zinc/22/41/53/775224153.db2.gz NHTQOBFZMDXLBR-VIFPVBQESA-N 1 2 265.317 -1.014 20 0 CAADLO Cn1nccc1C[N@H+]1CCC[C@H]1CNC(=O)C(N)=O ZINC001267274277 775224160 /nfs/dbraw/zinc/22/41/60/775224160.db2.gz NHTQOBFZMDXLBR-VIFPVBQESA-N 1 2 265.317 -1.014 20 0 CAADLO Cn1ncnc1C[N@@H+]1CC[C@@H](CNC(=O)CC(N)=O)C1 ZINC001267290688 775225414 /nfs/dbraw/zinc/22/54/14/775225414.db2.gz RXYQCRKPMZQJGC-VIFPVBQESA-N 1 2 280.332 -1.371 20 0 CAADLO Cn1ncnc1C[N@H+]1CC[C@@H](CNC(=O)CC(N)=O)C1 ZINC001267290688 775225416 /nfs/dbraw/zinc/22/54/16/775225416.db2.gz RXYQCRKPMZQJGC-VIFPVBQESA-N 1 2 280.332 -1.371 20 0 CAADLO Cn1ncnc1C[N@@H+]1CC[C@H](CNC(=O)CC(N)=O)C1 ZINC001267290687 775225741 /nfs/dbraw/zinc/22/57/41/775225741.db2.gz RXYQCRKPMZQJGC-SECBINFHSA-N 1 2 280.332 -1.371 20 0 CAADLO Cn1ncnc1C[N@H+]1CC[C@H](CNC(=O)CC(N)=O)C1 ZINC001267290687 775225746 /nfs/dbraw/zinc/22/57/46/775225746.db2.gz RXYQCRKPMZQJGC-SECBINFHSA-N 1 2 280.332 -1.371 20 0 CAADLO CN(CC[NH2+]Cc1nc(=O)n(C)[nH]1)C(=O)C(F)F ZINC001267339420 775232274 /nfs/dbraw/zinc/23/22/74/775232274.db2.gz YGNBBIMFOYVLQS-UHFFFAOYSA-N 1 2 263.248 -1.079 20 0 CAADLO CN(CC[NH2+]Cc1nc(=O)n(C)[nH]1)C(=O)c1cnns1 ZINC001267350285 775232982 /nfs/dbraw/zinc/23/29/82/775232982.db2.gz SGJNIVROTSPMKD-UHFFFAOYSA-N 1 2 297.344 -1.178 20 0 CAADLO COCc1noc(C[NH2+]CCN(C)C(=O)CC(N)=O)n1 ZINC001267358784 775234291 /nfs/dbraw/zinc/23/42/91/775234291.db2.gz NRWYDXRVQPBCSK-UHFFFAOYSA-N 1 2 285.304 -1.361 20 0 CAADLO CN(CC[NH2+]Cc1cnon1)C(=O)c1nnn(C)n1 ZINC001267415945 775242796 /nfs/dbraw/zinc/24/27/96/775242796.db2.gz YKDQUKJWWHVTJV-UHFFFAOYSA-N 1 2 266.265 -1.545 20 0 CAADLO CCOCC(=O)NCCN(CCO)C(=O)Cc1[nH]cc[nH+]1 ZINC001058550081 775242861 /nfs/dbraw/zinc/24/28/61/775242861.db2.gz LBKGPXQPFLOBDA-UHFFFAOYSA-N 1 2 298.343 -1.074 20 0 CAADLO CN(CC[NH2+]Cc1nnc2n1CCCC2)C(=O)C(N)=O ZINC001267421508 775242879 /nfs/dbraw/zinc/24/28/79/775242879.db2.gz DLQISTPUGFWUQR-UHFFFAOYSA-N 1 2 280.332 -1.352 20 0 CAADLO Cc1nnc(C[NH2+]CCN(C)C(=O)C(N)=O)n1C1CC1 ZINC001267421851 775243620 /nfs/dbraw/zinc/24/36/20/775243620.db2.gz SFDNWPNWJHGMJI-UHFFFAOYSA-N 1 2 280.332 -1.045 20 0 CAADLO CO[C@H](C)C(=O)NCCN(CCO)C(=O)Cc1[nH]cc[nH+]1 ZINC001058550261 775243980 /nfs/dbraw/zinc/24/39/80/775243980.db2.gz QIDVKGZBVCMCBV-SNVBAGLBSA-N 1 2 298.343 -1.076 20 0 CAADLO CCN(C)C(=O)C[NH2+]CCN(C)C(=O)Cc1ncn[nH]1 ZINC001267455078 775244961 /nfs/dbraw/zinc/24/49/61/775244961.db2.gz LGOHHTJAJKUDMW-UHFFFAOYSA-N 1 2 282.348 -1.127 20 0 CAADLO CN(CC[NH2+]CCO)C(=O)Cn1[nH]cc2c(=O)ncnc1-2 ZINC001267442582 775245588 /nfs/dbraw/zinc/24/55/88/775245588.db2.gz VENMJDKVJPLMKT-UHFFFAOYSA-N 1 2 294.315 -1.889 20 0 CAADLO COC[C@@H](O)CN1CC[NH+](CC[S@@](C)=O)CC1 ZINC001167686624 775247240 /nfs/dbraw/zinc/24/72/40/775247240.db2.gz SYFLQMDWYSQIKC-APPDUMDISA-N 1 2 264.391 -1.010 20 0 CAADLO COC[C@@H](O)C[NH+]1CCN(CC[S@@](C)=O)CC1 ZINC001167686624 775247250 /nfs/dbraw/zinc/24/72/50/775247250.db2.gz SYFLQMDWYSQIKC-APPDUMDISA-N 1 2 264.391 -1.010 20 0 CAADLO COCC(=O)N1CC[C@@H](n2cc(C[NH2+]CC(N)=O)nn2)C1 ZINC001098586528 775249326 /nfs/dbraw/zinc/24/93/26/775249326.db2.gz HPDNGTURXYFRAJ-SNVBAGLBSA-N 1 2 296.331 -1.727 20 0 CAADLO CCCN(C(=O)C(N)=O)[C@H]1CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001267546129 775254968 /nfs/dbraw/zinc/25/49/68/775254968.db2.gz ILQLSTLRGXUAQW-QMMMGPOBSA-N 1 2 299.331 -2.021 20 0 CAADLO CCCN(C(=O)C(N)=O)[C@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001267546129 775254975 /nfs/dbraw/zinc/25/49/75/775254975.db2.gz ILQLSTLRGXUAQW-QMMMGPOBSA-N 1 2 299.331 -2.021 20 0 CAADLO CCCN(C(=O)C(N)=O)[C@H]1CC[N@H+](CC(=O)N(C)C)C1 ZINC001267546824 775255846 /nfs/dbraw/zinc/25/58/46/775255846.db2.gz SDWCLLGTQUEIAV-JTQLQIEISA-N 1 2 284.360 -1.127 20 0 CAADLO CCCN(C(=O)C(N)=O)[C@H]1CC[N@@H+](CC(=O)N(C)C)C1 ZINC001267546824 775255857 /nfs/dbraw/zinc/25/58/57/775255857.db2.gz SDWCLLGTQUEIAV-JTQLQIEISA-N 1 2 284.360 -1.127 20 0 CAADLO CCCN(C(=O)C(N)=O)[C@@H]1CC[N@H+](CC(=O)N(C)C)C1 ZINC001267546825 775255936 /nfs/dbraw/zinc/25/59/36/775255936.db2.gz SDWCLLGTQUEIAV-SNVBAGLBSA-N 1 2 284.360 -1.127 20 0 CAADLO CCCN(C(=O)C(N)=O)[C@@H]1CC[N@@H+](CC(=O)N(C)C)C1 ZINC001267546825 775255948 /nfs/dbraw/zinc/25/59/48/775255948.db2.gz SDWCLLGTQUEIAV-SNVBAGLBSA-N 1 2 284.360 -1.127 20 0 CAADLO C[C@@H](CN(C)C(=O)C(N)=O)[NH2+]Cc1ncccn1 ZINC001283664956 775257408 /nfs/dbraw/zinc/25/74/08/775257408.db2.gz QNVQGHGKARXGFX-QMMMGPOBSA-N 1 2 251.290 -1.102 20 0 CAADLO CC[C@H](C(N)=O)[NH+]1CCN(CCN(C)C(=O)C(N)=O)CC1 ZINC001267574801 775258377 /nfs/dbraw/zinc/25/83/77/775258377.db2.gz SEQVGUWAVURHOI-SNVBAGLBSA-N 1 2 299.375 -2.188 20 0 CAADLO NC(=O)Cn1cc(NC(=O)[C@H]2CSC[NH2+]2)cn1 ZINC000037024728 775260374 /nfs/dbraw/zinc/26/03/74/775260374.db2.gz LQKSMCZRFNXNRN-SSDOTTSWSA-N 1 2 255.303 -1.031 20 0 CAADLO NC(=O)Cn1cc(NC(=O)[C@@H]2CSC[NH2+]2)cn1 ZINC000037024726 775261124 /nfs/dbraw/zinc/26/11/24/775261124.db2.gz LQKSMCZRFNXNRN-ZETCQYMHSA-N 1 2 255.303 -1.031 20 0 CAADLO Cn1c[nH+]cc1CC(=O)NCCN(CCO)C(=O)C(N)=O ZINC001058638857 775264032 /nfs/dbraw/zinc/26/40/32/775264032.db2.gz KRSPRUYARWKNRZ-UHFFFAOYSA-N 1 2 297.315 -2.615 20 0 CAADLO [NH3+][C@@H]1NCN(C(=O)[C@@H]2CCCS2(=O)=O)[C@@H]2NCN[C@@H]21 ZINC001143484679 775266708 /nfs/dbraw/zinc/26/67/08/775266708.db2.gz VXBVABAFBVFYDS-KDXUFGMBSA-N 1 2 289.361 -2.917 20 0 CAADLO NC(=O)C(=O)N(CCO)CCNC(=O)Cc1[nH]cc[nH+]1 ZINC001058640544 775267101 /nfs/dbraw/zinc/26/71/01/775267101.db2.gz UMLFKFHIWKSIDZ-UHFFFAOYSA-N 1 2 283.288 -2.625 20 0 CAADLO NC(=O)C(=O)N(CCO)CCNC(=O)CCc1[nH]cc[nH+]1 ZINC001058641930 775269499 /nfs/dbraw/zinc/26/94/99/775269499.db2.gz VSRZYVLIPIMONN-UHFFFAOYSA-N 1 2 297.315 -2.235 20 0 CAADLO NC(=O)C(=O)N(CCO)CCNC(=O)Cc1c[nH]c[nH+]1 ZINC001058646252 775271348 /nfs/dbraw/zinc/27/13/48/775271348.db2.gz AXPLMOLIIYMSFF-UHFFFAOYSA-N 1 2 283.288 -2.625 20 0 CAADLO CNC(=O)C[N@@H+]1CCC[C@H](NC(=O)CC(N)=O)C1 ZINC001267623608 775272648 /nfs/dbraw/zinc/27/26/48/775272648.db2.gz UNBABUATUDEHLK-QMMMGPOBSA-N 1 2 256.306 -1.812 20 0 CAADLO CNC(=O)C[N@H+]1CCC[C@H](NC(=O)CC(N)=O)C1 ZINC001267623608 775272651 /nfs/dbraw/zinc/27/26/51/775272651.db2.gz UNBABUATUDEHLK-QMMMGPOBSA-N 1 2 256.306 -1.812 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(NC(=O)c2cnn(C)c2)C1 ZINC001267635167 775275069 /nfs/dbraw/zinc/27/50/69/775275069.db2.gz FGDWFQPWYUMQDI-NSHDSACASA-N 1 2 268.317 -1.159 20 0 CAADLO COC(=O)NCC(=O)NC1C[NH+](CCOCCO)C1 ZINC001267638289 775276546 /nfs/dbraw/zinc/27/65/46/775276546.db2.gz WKODXRUDFWLQHS-UHFFFAOYSA-N 1 2 275.305 -1.848 20 0 CAADLO CCNC(=O)CC(=O)NC1C[NH+](C[C@H](O)COC)C1 ZINC001267643091 775278609 /nfs/dbraw/zinc/27/86/09/775278609.db2.gz JZJXCIQTQBEUMX-JTQLQIEISA-N 1 2 273.333 -1.680 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(NC(=O)c2ncc[nH]2)C1 ZINC001267643931 775278780 /nfs/dbraw/zinc/27/87/80/775278780.db2.gz AIHPKUNPJOAGNS-VIFPVBQESA-N 1 2 254.290 -1.169 20 0 CAADLO CN1CC[C@@H](C(=O)NC2C[NH+](CCOCCO)C2)C1=O ZINC001267655078 775279505 /nfs/dbraw/zinc/27/95/05/775279505.db2.gz MHHSWRVBUMMPSI-NSHDSACASA-N 1 2 285.344 -1.726 20 0 CAADLO C[C@H](O)C[NH+]1CC(NC(=O)CCn2cnnn2)C1 ZINC001267663807 775281375 /nfs/dbraw/zinc/28/13/75/775281375.db2.gz WRGICHGSPBGMPQ-QMMMGPOBSA-N 1 2 254.294 -1.756 20 0 CAADLO COC[C@H](O)CN1CC(NC(=O)Cn2cc[nH+]c2)C1 ZINC001267673164 775281533 /nfs/dbraw/zinc/28/15/33/775281533.db2.gz YKMFMYBBSWULCJ-LLVKDONJSA-N 1 2 268.317 -1.309 20 0 CAADLO CNC(=O)C1(C(=O)NC2C[NH+](C[C@@H](O)COC)C2)CC1 ZINC001267661745 775281974 /nfs/dbraw/zinc/28/19/74/775281974.db2.gz INADNPPVADQCNS-SNVBAGLBSA-N 1 2 285.344 -1.680 20 0 CAADLO COC[C@@H](C)[NH+]1CC(NC(=O)CC[C@@H]2NC(=O)NC2=O)C1 ZINC001267668559 775282006 /nfs/dbraw/zinc/28/20/06/775282006.db2.gz OPHUMELQGKGSJE-SCZZXKLOSA-N 1 2 298.343 -1.190 20 0 CAADLO CC(C)C[C@H](C(N)=O)C(=O)NC1C[NH+](CCO)C1 ZINC001267673068 775282126 /nfs/dbraw/zinc/28/21/26/775282126.db2.gz VUUQIIXOXZQTPW-SNVBAGLBSA-N 1 2 257.334 -1.073 20 0 CAADLO CNS(=O)(=O)CC(=O)NC1C[NH+](CCCCOC)C1 ZINC001267668989 775282272 /nfs/dbraw/zinc/28/22/72/775282272.db2.gz DVVPZTRVRQUHKA-UHFFFAOYSA-N 1 2 293.389 -1.237 20 0 CAADLO COC[C@@H](C)[NH+]1CC(NC(=O)CC[C@H]2NC(=O)NC2=O)C1 ZINC001267668558 775282292 /nfs/dbraw/zinc/28/22/92/775282292.db2.gz OPHUMELQGKGSJE-PSASIEDQSA-N 1 2 298.343 -1.190 20 0 CAADLO C[C@@H](C(=O)NCC1C[NH+](CC(N)=O)C1)N1C(=O)CCC1=O ZINC001267682650 775283350 /nfs/dbraw/zinc/28/33/50/775283350.db2.gz LOSDPYNAPSBSEO-QMMMGPOBSA-N 1 2 296.327 -1.943 20 0 CAADLO CC(C)C(=O)NCC1C[NH+](CC(=O)NC(N)=O)C1 ZINC001267675233 775283501 /nfs/dbraw/zinc/28/35/01/775283501.db2.gz RMLXEGHYEDHLHV-UHFFFAOYSA-N 1 2 256.306 -1.115 20 0 CAADLO CC[C@@H](C)NC(=O)C[NH+]1CC(CNC(=O)CC(N)=O)C1 ZINC001267678693 775283884 /nfs/dbraw/zinc/28/38/84/775283884.db2.gz SQTJNHVVGFBZCW-SECBINFHSA-N 1 2 284.360 -1.176 20 0 CAADLO NC(=O)C[NH+]1CC(CNC(=O)Cn2cnnn2)C1 ZINC001267675132 775284033 /nfs/dbraw/zinc/28/40/33/775284033.db2.gz OBYLUJALBDWNIB-UHFFFAOYSA-N 1 2 253.266 -2.794 20 0 CAADLO CCNC(=O)CC(=O)NCC1C[NH+](CC(=O)NC2CC2)C1 ZINC001267679279 775284233 /nfs/dbraw/zinc/28/42/33/775284233.db2.gz MTXQBVUNJSZRHO-UHFFFAOYSA-N 1 2 296.371 -1.161 20 0 CAADLO CC(C)(C(N)=O)C(=O)NCC1C[NH+]([C@@H]2CCNC2=O)C1 ZINC001267687253 775284941 /nfs/dbraw/zinc/28/49/41/775284941.db2.gz ZEUBWSVVXHYATC-SECBINFHSA-N 1 2 282.344 -1.566 20 0 CAADLO CCC[C@@H](C)NC(=O)C[NH+]1CC(CNC(=O)C(N)=O)C1 ZINC001267690424 775285469 /nfs/dbraw/zinc/28/54/69/775285469.db2.gz AHOFRMRZHBXERQ-SECBINFHSA-N 1 2 284.360 -1.176 20 0 CAADLO CNC(=O)NC(=O)[C@@H](C)[NH+]1CC(CNC(=O)C(N)=O)C1 ZINC001267691621 775285634 /nfs/dbraw/zinc/28/56/34/775285634.db2.gz RWTRCUIPRDKSCJ-ZCFIWIBFSA-N 1 2 285.304 -2.636 20 0 CAADLO C[C@@H](C(N)=O)[NH+]1CC(CNC(=O)C2(C(N)=O)CC2)C1 ZINC001267691832 775285836 /nfs/dbraw/zinc/28/58/36/775285836.db2.gz WGQPBITUYHILDR-ZETCQYMHSA-N 1 2 268.317 -1.826 20 0 CAADLO C[C@H]1CCCN(C(=O)C[NH+]2CC(CNC(=O)C(N)=O)C2)C1 ZINC001267691605 775286035 /nfs/dbraw/zinc/28/60/35/775286035.db2.gz RRXYRZGKDDRRRP-JTQLQIEISA-N 1 2 296.371 -1.222 20 0 CAADLO CCNC(=O)NC(=O)[C@@H](C)[NH+]1CC(CNC(=O)C(N)=O)C1 ZINC001267690552 775286162 /nfs/dbraw/zinc/28/61/62/775286162.db2.gz FCRSVKCXNJAGBR-SSDOTTSWSA-N 1 2 299.331 -2.246 20 0 CAADLO CNC(=O)C[NH+]1CC(CNC(=O)C(C)(C)C(N)=O)C1 ZINC001267686939 775286237 /nfs/dbraw/zinc/28/62/37/775286237.db2.gz WYNZEMWRORMGAB-UHFFFAOYSA-N 1 2 270.333 -1.708 20 0 CAADLO CCNC(=O)NC(=O)[C@H](C)[NH+]1CC(CNC(=O)C(N)=O)C1 ZINC001267690681 775286247 /nfs/dbraw/zinc/28/62/47/775286247.db2.gz FCRSVKCXNJAGBR-ZETCQYMHSA-N 1 2 299.331 -2.246 20 0 CAADLO NC(=O)CC(=O)NC[C@H](CO)[NH2+]Cc1cscn1 ZINC001283744668 775286345 /nfs/dbraw/zinc/28/63/45/775286345.db2.gz GZKNYOOMRATQCM-SSDOTTSWSA-N 1 2 272.330 -1.415 20 0 CAADLO CNS(=O)(=O)CC(=O)NCC1C[NH+](CCF)C1 ZINC001267699072 775288474 /nfs/dbraw/zinc/28/84/74/775288474.db2.gz LNCVPJUSMOKPKK-UHFFFAOYSA-N 1 2 267.326 -1.447 20 0 CAADLO C[C@@H](O)C[N@@H+]1CC[C@H](NC(=O)CS(C)(=O)=O)C1 ZINC001267719622 775289859 /nfs/dbraw/zinc/28/98/59/775289859.db2.gz HLLNAJUNOVVKBT-BDAKNGLRSA-N 1 2 264.347 -1.398 20 0 CAADLO C[C@@H](O)C[N@H+]1CC[C@H](NC(=O)CS(C)(=O)=O)C1 ZINC001267719622 775289864 /nfs/dbraw/zinc/28/98/64/775289864.db2.gz HLLNAJUNOVVKBT-BDAKNGLRSA-N 1 2 264.347 -1.398 20 0 CAADLO Cn1ccnc1CNC(=O)[C@@H]([NH3+])Cc1nn[nH]n1 ZINC001219563955 775289994 /nfs/dbraw/zinc/28/99/94/775289994.db2.gz OEMAQIKQFBLLHI-LURJTMIESA-N 1 2 250.266 -1.881 20 0 CAADLO CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCN(C)C2=O)C1 ZINC001267728740 775292705 /nfs/dbraw/zinc/29/27/05/775292705.db2.gz HWYQLZUAWQSEST-WDEREUQCSA-N 1 2 296.371 -1.209 20 0 CAADLO CCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCN(C)C2=O)C1 ZINC001267728740 775292712 /nfs/dbraw/zinc/29/27/12/775292712.db2.gz HWYQLZUAWQSEST-WDEREUQCSA-N 1 2 296.371 -1.209 20 0 CAADLO Cc1nc(N(C)C)nc(NC[C@@H](C)N(C)C(=O)C(N)=O)[nH+]1 ZINC001104791491 775294880 /nfs/dbraw/zinc/29/48/80/775294880.db2.gz KTLMEYYHXMKKLI-SSDOTTSWSA-N 1 2 295.347 -1.010 20 0 CAADLO CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCN(C)C2=O)C1 ZINC001267747050 775295915 /nfs/dbraw/zinc/29/59/15/775295915.db2.gz HWYQLZUAWQSEST-GHMZBOCLSA-N 1 2 296.371 -1.209 20 0 CAADLO CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CCN(C)C2=O)C1 ZINC001267747050 775295922 /nfs/dbraw/zinc/29/59/22/775295922.db2.gz HWYQLZUAWQSEST-GHMZBOCLSA-N 1 2 296.371 -1.209 20 0 CAADLO CC[C@@]1(C(=O)N[C@@H]2CC[N@H+](CC(N)=O)C2)CCNC1=O ZINC001267744390 775296325 /nfs/dbraw/zinc/29/63/25/775296325.db2.gz RHSQMSRKKSKJPK-NOZJJQNGSA-N 1 2 282.344 -1.422 20 0 CAADLO CC[C@@]1(C(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C2)CCNC1=O ZINC001267744390 775296328 /nfs/dbraw/zinc/29/63/28/775296328.db2.gz RHSQMSRKKSKJPK-NOZJJQNGSA-N 1 2 282.344 -1.422 20 0 CAADLO C[C@@H](CCNC(=O)CNC(N)=O)NC(=O)Cc1[nH]cc[nH+]1 ZINC001075545981 775299024 /nfs/dbraw/zinc/29/90/24/775299024.db2.gz MIZKKCZLURMPBY-QMMMGPOBSA-N 1 2 296.331 -1.369 20 0 CAADLO C[C@H](C(=O)NC(C)(C)C)[N@@H+]1CC[C@@H](NC(=O)C(N)=O)C1 ZINC001267748289 775299322 /nfs/dbraw/zinc/29/93/22/775299322.db2.gz UBWIDSPFNFUSPF-RKDXNWHRSA-N 1 2 284.360 -1.035 20 0 CAADLO C[C@H](C(=O)NC(C)(C)C)[N@H+]1CC[C@@H](NC(=O)C(N)=O)C1 ZINC001267748289 775299327 /nfs/dbraw/zinc/29/93/27/775299327.db2.gz UBWIDSPFNFUSPF-RKDXNWHRSA-N 1 2 284.360 -1.035 20 0 CAADLO Cc1conc1C[NH2+][C@@H](CO)CNC(=O)C1(C(N)=O)CC1 ZINC001283797077 775299375 /nfs/dbraw/zinc/29/93/75/775299375.db2.gz LKYUKEBMEPJYHF-SECBINFHSA-N 1 2 296.327 -1.185 20 0 CAADLO C[C@@H]1CN(C(=O)Cc2ncn[nH]2)C[C@H]1CC[NH2+]CC(N)=O ZINC001104891860 775301155 /nfs/dbraw/zinc/30/11/55/775301155.db2.gz XNVGIMKSURAPIV-NXEZZACHSA-N 1 2 294.359 -1.093 20 0 CAADLO CCCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](N(C)C(=O)C(N)=O)C1 ZINC001267769023 775302504 /nfs/dbraw/zinc/30/25/04/775302504.db2.gz AAKXEAXVFHEOPR-NXEZZACHSA-N 1 2 284.360 -1.081 20 0 CAADLO CCCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](N(C)C(=O)C(N)=O)C1 ZINC001267769023 775302515 /nfs/dbraw/zinc/30/25/15/775302515.db2.gz AAKXEAXVFHEOPR-NXEZZACHSA-N 1 2 284.360 -1.081 20 0 CAADLO CC(=O)N[C@@H]1C[N@H+](CC[C@@H]2CCS(=O)(=O)C2)C[C@@H]1O ZINC001083295583 775302915 /nfs/dbraw/zinc/30/29/15/775302915.db2.gz CXNHLTCNIHISFR-UTUOFQBUSA-N 1 2 290.385 -1.008 20 0 CAADLO CC(=O)N[C@@H]1C[N@@H+](CC[C@@H]2CCS(=O)(=O)C2)C[C@@H]1O ZINC001083295583 775302930 /nfs/dbraw/zinc/30/29/30/775302930.db2.gz CXNHLTCNIHISFR-UTUOFQBUSA-N 1 2 290.385 -1.008 20 0 CAADLO CC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCCC2)C[C@@H]1O ZINC001083295543 775303979 /nfs/dbraw/zinc/30/39/79/775303979.db2.gz BCUJGMWBDMLVKG-MNOVXSKESA-N 1 2 255.318 -1.210 20 0 CAADLO CC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCCC2)C[C@@H]1O ZINC001083295543 775303988 /nfs/dbraw/zinc/30/39/88/775303988.db2.gz BCUJGMWBDMLVKG-MNOVXSKESA-N 1 2 255.318 -1.210 20 0 CAADLO CCN1CC[C@@H]([N@H+]2C[C@@H](NC(C)=O)[C@@H](O)C2)C1=O ZINC001083296349 775305163 /nfs/dbraw/zinc/30/51/63/775305163.db2.gz LNEXOYQYXGKSPB-MXWKQRLJSA-N 1 2 255.318 -1.212 20 0 CAADLO CCN1CC[C@@H]([N@@H+]2C[C@@H](NC(C)=O)[C@@H](O)C2)C1=O ZINC001083296349 775305176 /nfs/dbraw/zinc/30/51/76/775305176.db2.gz LNEXOYQYXGKSPB-MXWKQRLJSA-N 1 2 255.318 -1.212 20 0 CAADLO CC(=O)N[C@@H]1C[N@H+](CC(=O)N(C)C2CC2)C[C@@H]1O ZINC001083296061 775305440 /nfs/dbraw/zinc/30/54/40/775305440.db2.gz ZYIWZSOVAZNICN-MNOVXSKESA-N 1 2 255.318 -1.212 20 0 CAADLO CC(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)C2CC2)C[C@@H]1O ZINC001083296061 775305448 /nfs/dbraw/zinc/30/54/48/775305448.db2.gz ZYIWZSOVAZNICN-MNOVXSKESA-N 1 2 255.318 -1.212 20 0 CAADLO C[C@@H](CCNC(=O)CNC(N)=O)NC(=O)Cn1cc[nH+]c1 ZINC001075548074 775305767 /nfs/dbraw/zinc/30/57/67/775305767.db2.gz MRFMZXAKSSMUOL-VIFPVBQESA-N 1 2 296.331 -1.438 20 0 CAADLO CC(=O)N[C@@H]1C[N@H+](CC2CCS(=O)(=O)CC2)C[C@@H]1O ZINC001083295987 775305865 /nfs/dbraw/zinc/30/58/65/775305865.db2.gz XFSDFRLCSIRHHS-NEPJUHHUSA-N 1 2 290.385 -1.008 20 0 CAADLO CC(=O)N[C@@H]1C[N@@H+](CC2CCS(=O)(=O)CC2)C[C@@H]1O ZINC001083295987 775305873 /nfs/dbraw/zinc/30/58/73/775305873.db2.gz XFSDFRLCSIRHHS-NEPJUHHUSA-N 1 2 290.385 -1.008 20 0 CAADLO CC[C@H](CNC(=O)[C@H]1CCNC1=O)[NH2+]Cc1nnn(C)n1 ZINC001267815415 775306215 /nfs/dbraw/zinc/30/62/15/775306215.db2.gz JPHGLVXWHUDFOC-BDAKNGLRSA-N 1 2 295.347 -1.669 20 0 CAADLO CC(=O)N[C@@H]1C[N@H+](C[C@@H]2CCS(=O)(=O)C2)C[C@@H]1O ZINC001083296478 775306386 /nfs/dbraw/zinc/30/63/86/775306386.db2.gz ROKQAMVNTWNPMP-AXFHLTTASA-N 1 2 276.358 -1.398 20 0 CAADLO CC(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCS(=O)(=O)C2)C[C@@H]1O ZINC001083296478 775306401 /nfs/dbraw/zinc/30/64/01/775306401.db2.gz ROKQAMVNTWNPMP-AXFHLTTASA-N 1 2 276.358 -1.398 20 0 CAADLO CC[C@@H](CNC(=O)[C@H]1CCNC1=O)[NH2+]Cc1nnn(C)n1 ZINC001267815417 775307289 /nfs/dbraw/zinc/30/72/89/775307289.db2.gz JPHGLVXWHUDFOC-IUCAKERBSA-N 1 2 295.347 -1.669 20 0 CAADLO CCC(=O)N[C@@H]1C[N@@H+]([C@H]2CCCNC2=O)C[C@@H]1O ZINC001083297097 775308337 /nfs/dbraw/zinc/30/83/37/775308337.db2.gz UOSSIRRECLBJIL-UTLUCORTSA-N 1 2 255.318 -1.164 20 0 CAADLO CCC(=O)N[C@@H]1C[N@H+]([C@H]2CCCNC2=O)C[C@@H]1O ZINC001083297097 775308343 /nfs/dbraw/zinc/30/83/43/775308343.db2.gz UOSSIRRECLBJIL-UTLUCORTSA-N 1 2 255.318 -1.164 20 0 CAADLO O=C(CN1CCOCC1)NCC[NH2+]Cc1cnon1 ZINC001125903185 775311081 /nfs/dbraw/zinc/31/10/81/775311081.db2.gz PLVCRTXJNSEULG-UHFFFAOYSA-N 1 2 269.305 -1.392 20 0 CAADLO CCC(=O)N[C@@H]1C[N@H+](C[C@H]2CCS(=O)(=O)C2)C[C@@H]1O ZINC001083297594 775311375 /nfs/dbraw/zinc/31/13/75/775311375.db2.gz QXAMTFYXVUWGOZ-MXWKQRLJSA-N 1 2 290.385 -1.008 20 0 CAADLO CCC(=O)N[C@@H]1C[N@@H+](C[C@H]2CCS(=O)(=O)C2)C[C@@H]1O ZINC001083297594 775311387 /nfs/dbraw/zinc/31/13/87/775311387.db2.gz QXAMTFYXVUWGOZ-MXWKQRLJSA-N 1 2 290.385 -1.008 20 0 CAADLO CCC(=O)N1CC(n2cc(C[NH2+]CC(=O)NC)nn2)C1 ZINC001105124242 775312622 /nfs/dbraw/zinc/31/26/22/775312622.db2.gz TZYRYEYGSICDMU-UHFFFAOYSA-N 1 2 280.332 -1.093 20 0 CAADLO CCNC(=O)C[NH2+]Cc1cn(C2CN(C(C)=O)C2)nn1 ZINC001105132875 775312746 /nfs/dbraw/zinc/31/27/46/775312746.db2.gz DERVJMCKADOSCM-UHFFFAOYSA-N 1 2 280.332 -1.093 20 0 CAADLO NC(=O)C[NH2+]Cc1cn(C2CN(C(=O)C3CC3)C2)nn1 ZINC001105129709 775313062 /nfs/dbraw/zinc/31/30/62/775313062.db2.gz YUJDPYMNBVIFIK-UHFFFAOYSA-N 1 2 278.316 -1.354 20 0 CAADLO CC(C)(F)C(=O)N1CC(n2cc(C[NH2+]CC(N)=O)nn2)C1 ZINC001105130239 775313317 /nfs/dbraw/zinc/31/33/17/775313317.db2.gz HSPJWVCZQCXSBD-UHFFFAOYSA-N 1 2 298.322 -1.016 20 0 CAADLO CC(=O)N1CC(n2cc(C[NH2+][C@@H](C)C(N)=O)nn2)C1 ZINC001105128105 775313745 /nfs/dbraw/zinc/31/37/45/775313745.db2.gz RXOBJQBFAPSUFF-ZETCQYMHSA-N 1 2 266.305 -1.355 20 0 CAADLO NC(=O)C[NH2+]Cc1cn(C2CN(C(=O)C(F)F)C2)nn1 ZINC001105127929 775313820 /nfs/dbraw/zinc/31/38/20/775313820.db2.gz KRNMITCSSNZQTA-UHFFFAOYSA-N 1 2 288.258 -1.499 20 0 CAADLO C[C@@H](C(=O)NCC[NH2+]Cc1nc(=O)n(C)[nH]1)n1cncn1 ZINC001125925803 775315167 /nfs/dbraw/zinc/31/51/67/775315167.db2.gz OQBSTMLRQSXADF-QMMMGPOBSA-N 1 2 294.319 -1.833 20 0 CAADLO CN1CC[C@@H]([N@H+]2C[C@@H](NC(=O)C3CC3)[C@@H](O)C2)C1=O ZINC001083299521 775315974 /nfs/dbraw/zinc/31/59/74/775315974.db2.gz CBTIWYHLTUMTFB-MXWKQRLJSA-N 1 2 267.329 -1.212 20 0 CAADLO CN1CC[C@@H]([N@@H+]2C[C@@H](NC(=O)C3CC3)[C@@H](O)C2)C1=O ZINC001083299521 775315984 /nfs/dbraw/zinc/31/59/84/775315984.db2.gz CBTIWYHLTUMTFB-MXWKQRLJSA-N 1 2 267.329 -1.212 20 0 CAADLO Cn1nnnc1C[NH2+]CCN(CCO)C(=O)C(N)=O ZINC001279809016 775317261 /nfs/dbraw/zinc/31/72/61/775317261.db2.gz CQANDJPTMQUTFG-UHFFFAOYSA-N 1 2 271.281 -3.394 20 0 CAADLO CC[C@]1(C(=O)N[C@@H]2CCC[N@H+](CC(N)=O)C2)CCNC1=O ZINC001267942552 775317298 /nfs/dbraw/zinc/31/72/98/775317298.db2.gz INNBIMNACDIEEC-YGRLFVJLSA-N 1 2 296.371 -1.031 20 0 CAADLO CC[C@]1(C(=O)N[C@@H]2CCC[N@@H+](CC(N)=O)C2)CCNC1=O ZINC001267942552 775317310 /nfs/dbraw/zinc/31/73/10/775317310.db2.gz INNBIMNACDIEEC-YGRLFVJLSA-N 1 2 296.371 -1.031 20 0 CAADLO COC[C@@H](C)OC[C@H](O)C[NH2+]Cc1nnn(C)n1 ZINC000398055950 775317474 /nfs/dbraw/zinc/31/74/74/775317474.db2.gz YPNLYNQWMISTFZ-RKDXNWHRSA-N 1 2 259.310 -1.288 20 0 CAADLO O=C(N[C@@H]1C[N@H+]([C@H]2CCC(=O)NC2=O)C[C@@H]1O)C1CC1 ZINC001083300927 775317653 /nfs/dbraw/zinc/31/76/53/775317653.db2.gz MKLLPIKAEMXFPH-UTLUCORTSA-N 1 2 281.312 -1.637 20 0 CAADLO O=C(N[C@@H]1C[N@@H+]([C@H]2CCC(=O)NC2=O)C[C@@H]1O)C1CC1 ZINC001083300927 775317664 /nfs/dbraw/zinc/31/76/64/775317664.db2.gz MKLLPIKAEMXFPH-UTLUCORTSA-N 1 2 281.312 -1.637 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)C2CC2)[C@@H](O)C1 ZINC001083301014 775317880 /nfs/dbraw/zinc/31/78/80/775317880.db2.gz QVEBIZXZWOMZON-QNSHHTMESA-N 1 2 255.318 -1.308 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)C2CC2)[C@@H](O)C1 ZINC001083301014 775317891 /nfs/dbraw/zinc/31/78/91/775317891.db2.gz QVEBIZXZWOMZON-QNSHHTMESA-N 1 2 255.318 -1.308 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CC[C@@H]1CNC(=O)c1cn[nH]c(=O)c1 ZINC001038373683 775318691 /nfs/dbraw/zinc/31/86/91/775318691.db2.gz MJOZJJCCVRLALP-VXNVDRBHSA-N 1 2 279.300 -1.140 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CC[C@@H]1CNC(=O)c1cn[nH]c(=O)c1 ZINC001038373683 775318705 /nfs/dbraw/zinc/31/87/05/775318705.db2.gz MJOZJJCCVRLALP-VXNVDRBHSA-N 1 2 279.300 -1.140 20 0 CAADLO CC[C@@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)C2CC2)[C@@H](O)C1 ZINC001083301677 775319897 /nfs/dbraw/zinc/31/98/97/775319897.db2.gz VPVZLGGMDXLRTR-UTLUCORTSA-N 1 2 255.318 -1.178 20 0 CAADLO CC[C@@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)C2CC2)[C@@H](O)C1 ZINC001083301677 775319908 /nfs/dbraw/zinc/31/99/08/775319908.db2.gz VPVZLGGMDXLRTR-UTLUCORTSA-N 1 2 255.318 -1.178 20 0 CAADLO O=C(N[C@@H]1C[N@H+]([C@H]2CCC(=O)NC2=O)C[C@@H]1O)C1CCC1 ZINC001083302823 775320307 /nfs/dbraw/zinc/32/03/07/775320307.db2.gz XHIDWJNREBZTFZ-VWYCJHECSA-N 1 2 295.339 -1.247 20 0 CAADLO O=C(N[C@@H]1C[N@@H+]([C@H]2CCC(=O)NC2=O)C[C@@H]1O)C1CCC1 ZINC001083302823 775320316 /nfs/dbraw/zinc/32/03/16/775320316.db2.gz XHIDWJNREBZTFZ-VWYCJHECSA-N 1 2 295.339 -1.247 20 0 CAADLO CN1CCOC[C@H]1C(=O)NCC[NH2+]Cc1cnon1 ZINC001125944460 775320628 /nfs/dbraw/zinc/32/06/28/775320628.db2.gz CENIVJWYSKCFCU-JTQLQIEISA-N 1 2 269.305 -1.394 20 0 CAADLO Cn1cnc(C(=O)N[C@H]2C[N@H+](CC(N)=O)CC2(C)C)n1 ZINC000974561528 775324689 /nfs/dbraw/zinc/32/46/89/775324689.db2.gz PCBIPRLVYMYCSY-QMMMGPOBSA-N 1 2 280.332 -1.259 20 0 CAADLO Cn1cnc(C(=O)N[C@H]2C[N@@H+](CC(N)=O)CC2(C)C)n1 ZINC000974561528 775324700 /nfs/dbraw/zinc/32/47/00/775324700.db2.gz PCBIPRLVYMYCSY-QMMMGPOBSA-N 1 2 280.332 -1.259 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)C2CCOCC2)[C@@H](O)C1 ZINC001083303476 775324960 /nfs/dbraw/zinc/32/49/60/775324960.db2.gz BUESJLVGCKIEQX-IEBDPFPHSA-N 1 2 285.344 -1.552 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)C2CCOCC2)[C@@H](O)C1 ZINC001083303476 775324973 /nfs/dbraw/zinc/32/49/73/775324973.db2.gz BUESJLVGCKIEQX-IEBDPFPHSA-N 1 2 285.344 -1.552 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)C2CCOCC2)[C@@H](O)C1 ZINC001083303470 775325645 /nfs/dbraw/zinc/32/56/45/775325645.db2.gz BSQNIWHUFYWZDQ-JLLWLGSASA-N 1 2 299.371 -1.291 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)C2CCOCC2)[C@@H](O)C1 ZINC001083303470 775325656 /nfs/dbraw/zinc/32/56/56/775325656.db2.gz BSQNIWHUFYWZDQ-JLLWLGSASA-N 1 2 299.371 -1.291 20 0 CAADLO CC1(C)CN(C(=O)C(N)=O)C[C@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC001008655754 775326026 /nfs/dbraw/zinc/32/60/26/775326026.db2.gz DXVKCMIKSHYGOO-SECBINFHSA-N 1 2 293.327 -1.209 20 0 CAADLO CC1(C)CN(C(=O)C(N)=O)C[C@@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC001008655759 775326891 /nfs/dbraw/zinc/32/68/91/775326891.db2.gz DXVKCMIKSHYGOO-VIFPVBQESA-N 1 2 293.327 -1.209 20 0 CAADLO Cc1noc(C[NH2+]CCNC(=O)[C@@H]2COCCN2C)n1 ZINC001125956680 775328735 /nfs/dbraw/zinc/32/87/35/775328735.db2.gz MNDKCKMISSZRLG-JTQLQIEISA-N 1 2 283.332 -1.086 20 0 CAADLO Cc1noc(C[NH2+]CCNC(=O)[C@H]2COCCN2C)n1 ZINC001125956681 775328836 /nfs/dbraw/zinc/32/88/36/775328836.db2.gz MNDKCKMISSZRLG-SNVBAGLBSA-N 1 2 283.332 -1.086 20 0 CAADLO NC(=O)CC(=O)NC[C@@H]1C[N@H+](CCOCCO)CCO1 ZINC001268017749 775331684 /nfs/dbraw/zinc/33/16/84/775331684.db2.gz FWEWLOKDKMWUFB-SNVBAGLBSA-N 1 2 289.332 -2.312 20 0 CAADLO NC(=O)CC(=O)NC[C@@H]1C[N@@H+](CCOCCO)CCO1 ZINC001268017749 775331688 /nfs/dbraw/zinc/33/16/88/775331688.db2.gz FWEWLOKDKMWUFB-SNVBAGLBSA-N 1 2 289.332 -2.312 20 0 CAADLO COCC(=O)NC[C@H]1C[N@H+](CCOCCO)CCO1 ZINC001268019513 775334687 /nfs/dbraw/zinc/33/46/87/775334687.db2.gz UKKKKSMFHBGTHO-NSHDSACASA-N 1 2 276.333 -1.541 20 0 CAADLO COCC(=O)NC[C@H]1C[N@@H+](CCOCCO)CCO1 ZINC001268019513 775334696 /nfs/dbraw/zinc/33/46/96/775334696.db2.gz UKKKKSMFHBGTHO-NSHDSACASA-N 1 2 276.333 -1.541 20 0 CAADLO CCNC(=O)CC(=O)NCC[NH2+]Cc1cnon1 ZINC001126007379 775337782 /nfs/dbraw/zinc/33/77/82/775337782.db2.gz JXERBPYJWCSHJH-UHFFFAOYSA-N 1 2 255.278 -1.198 20 0 CAADLO CCNC(=O)CC(=O)NCC[NH2+]Cc1nc(COC)no1 ZINC001126002945 775338866 /nfs/dbraw/zinc/33/88/66/775338866.db2.gz QIFMHWTYMDMORP-UHFFFAOYSA-N 1 2 299.331 -1.052 20 0 CAADLO O=C(CN1CN=NC1=O)NCC[NH2+]Cc1cnsn1 ZINC001126021876 775341680 /nfs/dbraw/zinc/34/16/80/775341680.db2.gz STVRTJDIJPJDLZ-UHFFFAOYSA-N 1 2 283.317 -1.259 20 0 CAADLO Cn1c[nH+]cc1CN1CCO[C@H](CNC(=O)C(N)=O)C1 ZINC001268026741 775345943 /nfs/dbraw/zinc/34/59/43/775345943.db2.gz LCQJZVNTAIRHNV-SNVBAGLBSA-N 1 2 281.316 -1.778 20 0 CAADLO Cn1c[nH+]cc1CN1CCO[C@@H](CNC(=O)C(N)=O)C1 ZINC001268026740 775346065 /nfs/dbraw/zinc/34/60/65/775346065.db2.gz LCQJZVNTAIRHNV-JTQLQIEISA-N 1 2 281.316 -1.778 20 0 CAADLO Cn1[nH]c(C[NH2+]CCNC(=O)c2ncccc2O)nc1=O ZINC001126119444 775350665 /nfs/dbraw/zinc/35/06/65/775350665.db2.gz ROGSUZHBRKDNBJ-UHFFFAOYSA-N 1 2 292.299 -1.271 20 0 CAADLO NC(=O)C[N@@H+]1CCCO[C@H](CNC(=O)CNC(N)=O)C1 ZINC001149129458 775351799 /nfs/dbraw/zinc/35/17/99/775351799.db2.gz IEZIGQJYAWOAMT-MRVPVSSYSA-N 1 2 287.320 -2.653 20 0 CAADLO NC(=O)C[N@H+]1CCCO[C@H](CNC(=O)CNC(N)=O)C1 ZINC001149129458 775351809 /nfs/dbraw/zinc/35/18/09/775351809.db2.gz IEZIGQJYAWOAMT-MRVPVSSYSA-N 1 2 287.320 -2.653 20 0 CAADLO CNC(=O)CC(=O)NCC[NH2+]Cc1csnn1 ZINC001126161320 775354683 /nfs/dbraw/zinc/35/46/83/775354683.db2.gz HQHPPELSBIPKFV-UHFFFAOYSA-N 1 2 257.319 -1.120 20 0 CAADLO C[C@H](NC(N)=O)C(=O)NCC[NH2+]Cc1nncs1 ZINC001126195662 775359094 /nfs/dbraw/zinc/35/90/94/775359094.db2.gz SSUJCEJLRZIRPB-LURJTMIESA-N 1 2 272.334 -1.199 20 0 CAADLO C[C@H](NC(N)=O)C(=O)NCC[NH2+]Cc1cnsn1 ZINC001126195111 775359229 /nfs/dbraw/zinc/35/92/29/775359229.db2.gz OBHVBZAATXPNRB-LURJTMIESA-N 1 2 272.334 -1.199 20 0 CAADLO C[C@H](NC(N)=O)C(=O)NCC[NH2+]Cc1ncccn1 ZINC001126199561 775359983 /nfs/dbraw/zinc/35/99/83/775359983.db2.gz VVDOFVYQZLYCQD-QMMMGPOBSA-N 1 2 266.305 -1.261 20 0 CAADLO C[C@H](NC(N)=O)C(=O)NCC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001126198509 775360989 /nfs/dbraw/zinc/36/09/89/775360989.db2.gz BCTKDBKOWZNYBD-LURJTMIESA-N 1 2 285.308 -2.629 20 0 CAADLO CCc1nnc(C[NH2+]CCNC(=O)[C@H](C)NC(N)=O)o1 ZINC001126204618 775362566 /nfs/dbraw/zinc/36/25/66/775362566.db2.gz RQTJNAYRPRNKQD-ZETCQYMHSA-N 1 2 284.320 -1.105 20 0 CAADLO NC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1COCCO1 ZINC001027766738 775365026 /nfs/dbraw/zinc/36/50/26/775365026.db2.gz VCWNEGJVUDDBAO-NXEZZACHSA-N 1 2 271.317 -1.532 20 0 CAADLO NC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1COCCO1 ZINC001027766738 775365036 /nfs/dbraw/zinc/36/50/36/775365036.db2.gz VCWNEGJVUDDBAO-NXEZZACHSA-N 1 2 271.317 -1.532 20 0 CAADLO CCCCn1nnnc1C[NH2+]C[C@@H](C)N(C)C(=O)C(N)=O ZINC001268081352 775374898 /nfs/dbraw/zinc/37/48/98/775374898.db2.gz SCOHCJUDDDGYOT-SECBINFHSA-N 1 2 297.363 -1.105 20 0 CAADLO Cn1oc(C(=O)NCC[NH2+]Cc2cnon2)cc1=O ZINC001126297635 775377936 /nfs/dbraw/zinc/37/79/36/775377936.db2.gz XHWJKGKXCIUVOP-UHFFFAOYSA-N 1 2 267.245 -1.119 20 0 CAADLO C[C@@H](O)C[N@@H+]1C[C@@H]2CCN(C(=O)CS(C)(=O)=O)[C@@H]2C1 ZINC001075596375 775378914 /nfs/dbraw/zinc/37/89/14/775378914.db2.gz YWVMHKJGYHENEE-OUAUKWLOSA-N 1 2 290.385 -1.056 20 0 CAADLO C[C@@H](O)C[N@H+]1C[C@@H]2CCN(C(=O)CS(C)(=O)=O)[C@@H]2C1 ZINC001075596375 775378916 /nfs/dbraw/zinc/37/89/16/775378916.db2.gz YWVMHKJGYHENEE-OUAUKWLOSA-N 1 2 290.385 -1.056 20 0 CAADLO CS(=O)(=O)CC(=O)N1CC[C@H]2C[N@H+](CCCO)C[C@H]21 ZINC001075595878 775378978 /nfs/dbraw/zinc/37/89/78/775378978.db2.gz AGVZYBHCCBISCT-WDEREUQCSA-N 1 2 290.385 -1.054 20 0 CAADLO CS(=O)(=O)CC(=O)N1CC[C@H]2C[N@@H+](CCCO)C[C@H]21 ZINC001075595878 775378985 /nfs/dbraw/zinc/37/89/85/775378985.db2.gz AGVZYBHCCBISCT-WDEREUQCSA-N 1 2 290.385 -1.054 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CCC[C@@H](NC(=O)C(=O)NCC2CC2)C1 ZINC001268112832 775381312 /nfs/dbraw/zinc/38/13/12/775381312.db2.gz UNGQSHNWDDVTOX-GXSJLCMTSA-N 1 2 296.371 -1.033 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CCC[C@@H](NC(=O)C(=O)NCC2CC2)C1 ZINC001268112832 775381323 /nfs/dbraw/zinc/38/13/23/775381323.db2.gz UNGQSHNWDDVTOX-GXSJLCMTSA-N 1 2 296.371 -1.033 20 0 CAADLO CNC(=O)C[N@@H+]1CCC[C@H](NC(=O)COCCOC)C1 ZINC001268169932 775381935 /nfs/dbraw/zinc/38/19/35/775381935.db2.gz PGJUUJHMICUILH-NSHDSACASA-N 1 2 287.360 -1.024 20 0 CAADLO CNC(=O)C[N@H+]1CCC[C@H](NC(=O)COCCOC)C1 ZINC001268169932 775381940 /nfs/dbraw/zinc/38/19/40/775381940.db2.gz PGJUUJHMICUILH-NSHDSACASA-N 1 2 287.360 -1.024 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CCC[C@H](NC(=O)C(C)(C)C(N)=O)C1 ZINC001268193498 775383529 /nfs/dbraw/zinc/38/35/29/775383529.db2.gz MNTBLCZNSWUVFC-IUCAKERBSA-N 1 2 284.360 -1.048 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CCC[C@H](NC(=O)C(C)(C)C(N)=O)C1 ZINC001268193498 775383535 /nfs/dbraw/zinc/38/35/35/775383535.db2.gz MNTBLCZNSWUVFC-IUCAKERBSA-N 1 2 284.360 -1.048 20 0 CAADLO COCc1noc(C[NH2+][C@H](CNC(=O)C(N)=O)C(C)C)n1 ZINC001268215892 775383588 /nfs/dbraw/zinc/38/35/88/775383588.db2.gz CLNVMOGGNXXGBA-MRVPVSSYSA-N 1 2 299.331 -1.068 20 0 CAADLO CC(C)[C@H](CNC(=O)C(N)=O)[NH2+]Cc1nc(N(C)C)no1 ZINC001268216526 775384010 /nfs/dbraw/zinc/38/40/10/775384010.db2.gz LJAZJNHVCPOMME-QMMMGPOBSA-N 1 2 298.347 -1.149 20 0 CAADLO COCc1noc(C[NH2+][C@@H](CNC(=O)C(N)=O)C(C)C)n1 ZINC001268215893 775384590 /nfs/dbraw/zinc/38/45/90/775384590.db2.gz CLNVMOGGNXXGBA-QMMMGPOBSA-N 1 2 299.331 -1.068 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)C2=COCCO2)[C@@H](O)C1 ZINC001083322292 775384899 /nfs/dbraw/zinc/38/48/99/775384899.db2.gz BEKYEBVJXAXVOX-BBBLOLIVSA-N 1 2 299.327 -1.830 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)C2=COCCO2)[C@@H](O)C1 ZINC001083322292 775384908 /nfs/dbraw/zinc/38/49/08/775384908.db2.gz BEKYEBVJXAXVOX-BBBLOLIVSA-N 1 2 299.327 -1.830 20 0 CAADLO CNC(=O)C[N@H+](C)CCN(C)C(=O)C(C)(C)C(N)=O ZINC001268241844 775385685 /nfs/dbraw/zinc/38/56/85/775385685.db2.gz ZDXPJPRIHJWMSF-UHFFFAOYSA-N 1 2 272.349 -1.366 20 0 CAADLO CNC(=O)C[N@@H+](C)CCN(C)C(=O)C(C)(C)C(N)=O ZINC001268241844 775385696 /nfs/dbraw/zinc/38/56/96/775385696.db2.gz ZDXPJPRIHJWMSF-UHFFFAOYSA-N 1 2 272.349 -1.366 20 0 CAADLO CNC(=O)C[N@H+](C)CCN(C)C(=O)C(=O)NCC(F)F ZINC001268242322 775386344 /nfs/dbraw/zinc/38/63/44/775386344.db2.gz KNUHSYSCRUZHOP-UHFFFAOYSA-N 1 2 294.302 -1.496 20 0 CAADLO CNC(=O)C[N@@H+](C)CCN(C)C(=O)C(=O)NCC(F)F ZINC001268242322 775386356 /nfs/dbraw/zinc/38/63/56/775386356.db2.gz KNUHSYSCRUZHOP-UHFFFAOYSA-N 1 2 294.302 -1.496 20 0 CAADLO C[C@@H](NC(=O)C(N)=O)[C@@H](C)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001282186260 775387512 /nfs/dbraw/zinc/38/75/12/775387512.db2.gz SVCNDMLNXQXPMA-PHDIDXHHSA-N 1 2 270.293 -2.424 20 0 CAADLO C[C@H](C(=O)NC1CC1)[N@H+](C)CCN(C)C(=O)C(N)=O ZINC001268247666 775388342 /nfs/dbraw/zinc/38/83/42/775388342.db2.gz UOPJUQDINADZBS-MRVPVSSYSA-N 1 2 270.333 -1.471 20 0 CAADLO C[C@H](C(=O)NC1CC1)[N@@H+](C)CCN(C)C(=O)C(N)=O ZINC001268247666 775388352 /nfs/dbraw/zinc/38/83/52/775388352.db2.gz UOPJUQDINADZBS-MRVPVSSYSA-N 1 2 270.333 -1.471 20 0 CAADLO CNC(=O)C[N@H+](C)CCN(C)C(=O)[C@H]1CCNC1=O ZINC001268245539 775389060 /nfs/dbraw/zinc/38/90/60/775389060.db2.gz PTTAEDBRGATYGD-VIFPVBQESA-N 1 2 270.333 -1.741 20 0 CAADLO CNC(=O)C[N@@H+](C)CCN(C)C(=O)[C@H]1CCNC1=O ZINC001268245539 775389069 /nfs/dbraw/zinc/38/90/69/775389069.db2.gz PTTAEDBRGATYGD-VIFPVBQESA-N 1 2 270.333 -1.741 20 0 CAADLO CN(CC[N@H+](C)CC(N)=O)C(=O)[C@@]1(F)CCOC1 ZINC001268247237 775389234 /nfs/dbraw/zinc/38/92/34/775389234.db2.gz JTKZFUFYPBZQGG-LLVKDONJSA-N 1 2 261.297 -1.010 20 0 CAADLO CN(CC[N@@H+](C)CC(N)=O)C(=O)[C@@]1(F)CCOC1 ZINC001268247237 775389245 /nfs/dbraw/zinc/38/92/45/775389245.db2.gz JTKZFUFYPBZQGG-LLVKDONJSA-N 1 2 261.297 -1.010 20 0 CAADLO COC[C@H](O)C[NH+]1CC(NC(=O)[C@@H]2CCOC2)C1 ZINC001268257246 775389507 /nfs/dbraw/zinc/38/95/07/775389507.db2.gz KUOVIBXJWSRXFM-MWLCHTKSSA-N 1 2 258.318 -1.169 20 0 CAADLO CCNC(=O)CC(=O)NC1C[NH+](C[C@@H](O)COC)C1 ZINC001268279918 775390311 /nfs/dbraw/zinc/39/03/11/775390311.db2.gz JZJXCIQTQBEUMX-SNVBAGLBSA-N 1 2 273.333 -1.680 20 0 CAADLO COCCOCC[NH+]1CC(NC(=O)[C@@H]2CC(=O)N(C)C2)C1 ZINC001268310344 775398213 /nfs/dbraw/zinc/39/82/13/775398213.db2.gz HMWCPGLFQMAMJO-LLVKDONJSA-N 1 2 299.371 -1.072 20 0 CAADLO COCC(=O)N(C)CC(=O)NC1C[NH+](CCO)C1 ZINC001268317862 775401447 /nfs/dbraw/zinc/40/14/47/775401447.db2.gz MBYVOISFYGGHMQ-UHFFFAOYSA-N 1 2 259.306 -2.116 20 0 CAADLO CNC(=O)NCC(=O)NC1C[NH+](CCOCCO)C1 ZINC001268319085 775401424 /nfs/dbraw/zinc/40/14/24/775401424.db2.gz ZXGBGKYGKOGXCS-UHFFFAOYSA-N 1 2 274.321 -2.275 20 0 CAADLO NC(=O)C1(C(=O)NC[C@@H](O)C[NH2+]Cc2cnsn2)CC1 ZINC001268324713 775403177 /nfs/dbraw/zinc/40/31/77/775403177.db2.gz WJBKNXQYIFMRCH-QMMMGPOBSA-N 1 2 299.356 -1.630 20 0 CAADLO CO[C@@H]1C[N@H+](CCF)C[C@H]1NC(=O)CNC(N)=O ZINC001211833531 775438453 /nfs/dbraw/zinc/43/84/53/775438453.db2.gz CURDWAGJGZAYND-HTQZYQBOSA-N 1 2 262.285 -1.560 20 0 CAADLO CO[C@@H]1C[N@@H+](CCF)C[C@H]1NC(=O)CNC(N)=O ZINC001211833531 775438462 /nfs/dbraw/zinc/43/84/62/775438462.db2.gz CURDWAGJGZAYND-HTQZYQBOSA-N 1 2 262.285 -1.560 20 0 CAADLO NC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)c3nccnc3N)[C@@H]2C1 ZINC001075627331 775413118 /nfs/dbraw/zinc/41/31/18/775413118.db2.gz UJBQRFQJQRAADP-DTWKUNHWSA-N 1 2 290.327 -1.310 20 0 CAADLO NC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)c3nccnc3N)[C@@H]2C1 ZINC001075627331 775413121 /nfs/dbraw/zinc/41/31/21/775413121.db2.gz UJBQRFQJQRAADP-DTWKUNHWSA-N 1 2 290.327 -1.310 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(NC(=O)[C@]2(C)CCNC2=O)C1 ZINC001268447311 775414017 /nfs/dbraw/zinc/41/40/17/775414017.db2.gz SBIHUYQNKFLDNU-GXFFZTMASA-N 1 2 285.344 -1.680 20 0 CAADLO COC[C@H](O)C[NH+]1CC(NC(=O)c2[nH]nnc2C)C1 ZINC001268432328 775414662 /nfs/dbraw/zinc/41/46/62/775414662.db2.gz AVRCBRNRFPZXRY-SECBINFHSA-N 1 2 269.305 -1.466 20 0 CAADLO COC[C@H](O)C[NH+]1CC(NC(=O)[C@@]2(C)CCNC2=O)C1 ZINC001268447312 775414207 /nfs/dbraw/zinc/41/42/07/775414207.db2.gz SBIHUYQNKFLDNU-MFKMUULPSA-N 1 2 285.344 -1.680 20 0 CAADLO Cn1cc(C[N@@H+]2C[C@@H]3CCN(C(=O)CC(N)=O)[C@@H]3C2)nn1 ZINC001075632627 775415827 /nfs/dbraw/zinc/41/58/27/775415827.db2.gz DUVBJXQSUULLOB-GXSJLCMTSA-N 1 2 292.343 -1.277 20 0 CAADLO Cn1cc(C[N@H+]2C[C@@H]3CCN(C(=O)CC(N)=O)[C@@H]3C2)nn1 ZINC001075632627 775415830 /nfs/dbraw/zinc/41/58/30/775415830.db2.gz DUVBJXQSUULLOB-GXSJLCMTSA-N 1 2 292.343 -1.277 20 0 CAADLO CCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC(N)=O)C[C@H]1OC ZINC001211743220 775417630 /nfs/dbraw/zinc/41/76/30/775417630.db2.gz ADHZQPXQLRMCLW-DJLDLDEBSA-N 1 2 286.332 -1.205 20 0 CAADLO CCC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)NC(N)=O)C[C@H]1OC ZINC001211743220 775417633 /nfs/dbraw/zinc/41/76/33/775417633.db2.gz ADHZQPXQLRMCLW-DJLDLDEBSA-N 1 2 286.332 -1.205 20 0 CAADLO CNC(=O)NC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(C)=O)[C@H](OC)C1 ZINC001211738616 775417730 /nfs/dbraw/zinc/41/77/30/775417730.db2.gz LHWXWPGSLAAHPP-SZEHBUNVSA-N 1 2 286.332 -1.334 20 0 CAADLO CNC(=O)NC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(C)=O)[C@H](OC)C1 ZINC001211738616 775417734 /nfs/dbraw/zinc/41/77/34/775417734.db2.gz LHWXWPGSLAAHPP-SZEHBUNVSA-N 1 2 286.332 -1.334 20 0 CAADLO CNC(=O)CC(=O)N[C@@H]1C[N@H+](CCF)C[C@H]1OC ZINC001212177998 775418199 /nfs/dbraw/zinc/41/81/99/775418199.db2.gz FBUACKNBBZUTME-RKDXNWHRSA-N 1 2 261.297 -1.093 20 0 CAADLO CNC(=O)CC(=O)N[C@@H]1C[N@@H+](CCF)C[C@H]1OC ZINC001212177998 775418205 /nfs/dbraw/zinc/41/82/05/775418205.db2.gz FBUACKNBBZUTME-RKDXNWHRSA-N 1 2 261.297 -1.093 20 0 CAADLO C[N@@H+]1CCN(C(=O)[C@H]2CCCN(C(N)=O)C2)C[C@@H]1CO ZINC000687595625 775419248 /nfs/dbraw/zinc/41/92/48/775419248.db2.gz FIRNORPMLBOLGR-WDEREUQCSA-N 1 2 284.360 -1.088 20 0 CAADLO C[N@H+]1CCN(C(=O)[C@H]2CCCN(C(N)=O)C2)C[C@@H]1CO ZINC000687595625 775419255 /nfs/dbraw/zinc/41/92/55/775419255.db2.gz FIRNORPMLBOLGR-WDEREUQCSA-N 1 2 284.360 -1.088 20 0 CAADLO C[C@@H](C(=O)N1CC[N@H+](C)[C@H](CO)C1)n1cncn1 ZINC000687598406 775420040 /nfs/dbraw/zinc/42/00/40/775420040.db2.gz OFQGEDITPQEWEZ-UWVGGRQHSA-N 1 2 253.306 -1.026 20 0 CAADLO C[C@@H](C(=O)N1CC[N@@H+](C)[C@H](CO)C1)n1cncn1 ZINC000687598406 775420043 /nfs/dbraw/zinc/42/00/43/775420043.db2.gz OFQGEDITPQEWEZ-UWVGGRQHSA-N 1 2 253.306 -1.026 20 0 CAADLO CCN(CC[NH2+]Cc1nnnn1C)C(=O)C(N)=O ZINC001268477154 775420159 /nfs/dbraw/zinc/42/01/59/775420159.db2.gz ZSDBPVPLVHXSNK-UHFFFAOYSA-N 1 2 255.282 -2.367 20 0 CAADLO COCC(=O)N[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@H]1OC ZINC001211748195 775420279 /nfs/dbraw/zinc/42/02/79/775420279.db2.gz RLTGIRVUMYFVSJ-KXUCPTDWSA-N 1 2 271.317 -1.663 20 0 CAADLO COCC(=O)N[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@H]1OC ZINC001211748195 775420285 /nfs/dbraw/zinc/42/02/85/775420285.db2.gz RLTGIRVUMYFVSJ-KXUCPTDWSA-N 1 2 271.317 -1.663 20 0 CAADLO CO[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC(N)=O)C[C@H]1NC(=O)C1CC1 ZINC001211747871 775420499 /nfs/dbraw/zinc/42/04/99/775420499.db2.gz CAOYLUXVMRDXBN-FXBDTBDDSA-N 1 2 298.343 -1.205 20 0 CAADLO CO[C@@H]1C[N@H+]([C@@H](C)C(=O)NC(N)=O)C[C@H]1NC(=O)C1CC1 ZINC001211747871 775420501 /nfs/dbraw/zinc/42/05/01/775420501.db2.gz CAOYLUXVMRDXBN-FXBDTBDDSA-N 1 2 298.343 -1.205 20 0 CAADLO CO[C@@H]1C[N@@H+]([C@H](C)C(=O)NC(N)=O)C[C@H]1NC(=O)C1CC1 ZINC001211747872 775420673 /nfs/dbraw/zinc/42/06/73/775420673.db2.gz CAOYLUXVMRDXBN-SZEHBUNVSA-N 1 2 298.343 -1.205 20 0 CAADLO CO[C@@H]1C[N@H+]([C@H](C)C(=O)NC(N)=O)C[C@H]1NC(=O)C1CC1 ZINC001211747872 775420676 /nfs/dbraw/zinc/42/06/76/775420676.db2.gz CAOYLUXVMRDXBN-SZEHBUNVSA-N 1 2 298.343 -1.205 20 0 CAADLO COCC(=O)N[C@@H]1C[N@@H+]([C@H]2CCCNC2=O)C[C@H]1OC ZINC001211750111 775420775 /nfs/dbraw/zinc/42/07/75/775420775.db2.gz IMQAPLOASXZMBF-OUAUKWLOSA-N 1 2 285.344 -1.273 20 0 CAADLO COCC(=O)N[C@@H]1C[N@H+]([C@H]2CCCNC2=O)C[C@H]1OC ZINC001211750111 775420779 /nfs/dbraw/zinc/42/07/79/775420779.db2.gz IMQAPLOASXZMBF-OUAUKWLOSA-N 1 2 285.344 -1.273 20 0 CAADLO COCCC(=O)N[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@H]1OC ZINC001211755159 775422300 /nfs/dbraw/zinc/42/23/00/775422300.db2.gz YRNREOKYZWABCP-OUAUKWLOSA-N 1 2 285.344 -1.273 20 0 CAADLO COCCC(=O)N[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@H]1OC ZINC001211755159 775422306 /nfs/dbraw/zinc/42/23/06/775422306.db2.gz YRNREOKYZWABCP-OUAUKWLOSA-N 1 2 285.344 -1.273 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)COC)[C@H](OC)C1 ZINC001211750580 775422456 /nfs/dbraw/zinc/42/24/56/775422456.db2.gz YERCCVYZQBGDMJ-IVZWLZJFSA-N 1 2 273.333 -1.417 20 0 CAADLO CNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)COC)[C@H](OC)C1 ZINC001211750580 775422465 /nfs/dbraw/zinc/42/24/65/775422465.db2.gz YERCCVYZQBGDMJ-IVZWLZJFSA-N 1 2 273.333 -1.417 20 0 CAADLO CC[C@@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)COC)[C@H](OC)C1 ZINC001211751924 775422487 /nfs/dbraw/zinc/42/24/87/775422487.db2.gz HPCJADBTSFTFDH-KXUCPTDWSA-N 1 2 273.333 -1.288 20 0 CAADLO CC[C@@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)COC)[C@H](OC)C1 ZINC001211751924 775422495 /nfs/dbraw/zinc/42/24/95/775422495.db2.gz HPCJADBTSFTFDH-KXUCPTDWSA-N 1 2 273.333 -1.288 20 0 CAADLO O=C(CCCN1C(=O)CNC1=O)NC1C[NH+](CCO)C1 ZINC001268482051 775422547 /nfs/dbraw/zinc/42/25/47/775422547.db2.gz MJAQSMKTAUCKAQ-UHFFFAOYSA-N 1 2 284.316 -1.889 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)CCOC)[C@H](OC)C1 ZINC001211757389 775422653 /nfs/dbraw/zinc/42/26/53/775422653.db2.gz XBGNBAFJMRXDLR-HBNTYKKESA-N 1 2 287.360 -1.027 20 0 CAADLO CNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)CCOC)[C@H](OC)C1 ZINC001211757389 775422658 /nfs/dbraw/zinc/42/26/58/775422658.db2.gz XBGNBAFJMRXDLR-HBNTYKKESA-N 1 2 287.360 -1.027 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)COC)[C@H](OC)C1 ZINC001211750581 775422685 /nfs/dbraw/zinc/42/26/85/775422685.db2.gz YERCCVYZQBGDMJ-OPRDCNLKSA-N 1 2 273.333 -1.417 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)COC)[C@H](OC)C1 ZINC001211750581 775422690 /nfs/dbraw/zinc/42/26/90/775422690.db2.gz YERCCVYZQBGDMJ-OPRDCNLKSA-N 1 2 273.333 -1.417 20 0 CAADLO CNC(=O)C[N@@H+]1C[C@@H](NC(=O)CNC(C)=O)[C@H](OC)C1 ZINC001211773754 775423863 /nfs/dbraw/zinc/42/38/63/775423863.db2.gz AJZMWNHVUIDRAX-NXEZZACHSA-N 1 2 286.332 -2.316 20 0 CAADLO CNC(=O)C[N@H+]1C[C@@H](NC(=O)CNC(C)=O)[C@H](OC)C1 ZINC001211773754 775423871 /nfs/dbraw/zinc/42/38/71/775423871.db2.gz AJZMWNHVUIDRAX-NXEZZACHSA-N 1 2 286.332 -2.316 20 0 CAADLO NC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)Cc3ccn[nH]3)[C@@H]2C1 ZINC001075640177 775424757 /nfs/dbraw/zinc/42/47/57/775424757.db2.gz YGOGHJGOCHOJEW-GXSJLCMTSA-N 1 2 277.328 -1.030 20 0 CAADLO NC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)Cc3ccn[nH]3)[C@@H]2C1 ZINC001075640177 775424759 /nfs/dbraw/zinc/42/47/59/775424759.db2.gz YGOGHJGOCHOJEW-GXSJLCMTSA-N 1 2 277.328 -1.030 20 0 CAADLO CNC(=O)CC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(N)=O)C[C@H]1OC ZINC001212178527 775425165 /nfs/dbraw/zinc/42/51/65/775425165.db2.gz ZLSSRJYWUHYPBT-IWSPIJDZSA-N 1 2 286.332 -2.188 20 0 CAADLO CNC(=O)CC(=O)N[C@@H]1C[N@H+]([C@H](C)C(N)=O)C[C@H]1OC ZINC001212178527 775425174 /nfs/dbraw/zinc/42/51/74/775425174.db2.gz ZLSSRJYWUHYPBT-IWSPIJDZSA-N 1 2 286.332 -2.188 20 0 CAADLO CCOCC(=O)N[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]1OC ZINC001211802371 775425227 /nfs/dbraw/zinc/42/52/27/775425227.db2.gz PAUXEBLCHJXJAV-GHMZBOCLSA-N 1 2 287.360 -1.074 20 0 CAADLO CCOCC(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1OC ZINC001211802371 775425236 /nfs/dbraw/zinc/42/52/36/775425236.db2.gz PAUXEBLCHJXJAV-GHMZBOCLSA-N 1 2 287.360 -1.074 20 0 CAADLO CCOCC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)NC)C[C@H]1OC ZINC001211804541 775426259 /nfs/dbraw/zinc/42/62/59/775426259.db2.gz QOEOIRMWFDHZHO-GMTAPVOTSA-N 1 2 287.360 -1.027 20 0 CAADLO CCOCC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)NC)C[C@H]1OC ZINC001211804541 775426261 /nfs/dbraw/zinc/42/62/61/775426261.db2.gz QOEOIRMWFDHZHO-GMTAPVOTSA-N 1 2 287.360 -1.027 20 0 CAADLO CCOCC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(N)=O)C[C@H]1OC ZINC001211802042 775426273 /nfs/dbraw/zinc/42/62/73/775426273.db2.gz HDOOBJLKNTYVGP-OPRDCNLKSA-N 1 2 273.333 -1.288 20 0 CAADLO CCOCC(=O)N[C@@H]1C[N@H+]([C@H](C)C(N)=O)C[C@H]1OC ZINC001211802042 775426276 /nfs/dbraw/zinc/42/62/76/775426276.db2.gz HDOOBJLKNTYVGP-OPRDCNLKSA-N 1 2 273.333 -1.288 20 0 CAADLO CCn1ncc(C[NH2+]C/C=C/CNC(=O)CC(N)=O)n1 ZINC001268525597 775427424 /nfs/dbraw/zinc/42/74/24/775427424.db2.gz WSQPLJCYQMCIAS-ONEGZZNKSA-N 1 2 280.332 -1.065 20 0 CAADLO CCn1ncc(C[NH2+]C/C=C\CNC(=O)CC(N)=O)n1 ZINC001268525594 775427607 /nfs/dbraw/zinc/42/76/07/775427607.db2.gz WSQPLJCYQMCIAS-ARJAWSKDSA-N 1 2 280.332 -1.065 20 0 CAADLO O=C(NCC=CC[NH2+]Cc1cnon1)[C@H]1COC(=O)N1 ZINC001268533982 775428152 /nfs/dbraw/zinc/42/81/52/775428152.db2.gz BAAKUUSLDGQLNS-GPYPMJJRSA-N 1 2 281.272 -1.060 20 0 CAADLO Cn1nnnc1C[NH2+]C/C=C/CNC(=O)c1cnnn1C ZINC001268534966 775428263 /nfs/dbraw/zinc/42/82/63/775428263.db2.gz FSHLBEQLJVOGFD-ONEGZZNKSA-N 1 2 291.319 -1.586 20 0 CAADLO O=C(NCC=CC[NH2+]Cc1cnon1)[C@H]1COC(=O)N1 ZINC001268533986 775428284 /nfs/dbraw/zinc/42/82/84/775428284.db2.gz BAAKUUSLDGQLNS-JKERVTFKSA-N 1 2 281.272 -1.060 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)Cn2cnnn2)[C@@H](O)C1 ZINC001083329403 775428343 /nfs/dbraw/zinc/42/83/43/775428343.db2.gz HKSHPKKGZVMWNE-HLTSFMKQSA-N 1 2 297.319 -3.031 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)Cn2cnnn2)[C@@H](O)C1 ZINC001083329403 775428352 /nfs/dbraw/zinc/42/83/52/775428352.db2.gz HKSHPKKGZVMWNE-HLTSFMKQSA-N 1 2 297.319 -3.031 20 0 CAADLO CC[C@@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)Cn2cnnn2)[C@@H](O)C1 ZINC001083329646 775429250 /nfs/dbraw/zinc/42/92/50/775429250.db2.gz POKHBZLLABGOFK-VGMNWLOBSA-N 1 2 297.319 -2.902 20 0 CAADLO CC[C@@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)Cn2cnnn2)[C@@H](O)C1 ZINC001083329646 775429252 /nfs/dbraw/zinc/42/92/52/775429252.db2.gz POKHBZLLABGOFK-VGMNWLOBSA-N 1 2 297.319 -2.902 20 0 CAADLO Cn1ncnc1C[NH2+]C/C=C\CNC(=O)Cn1ncnn1 ZINC001268538514 775429477 /nfs/dbraw/zinc/42/94/77/775429477.db2.gz KTDRLDBTAAZOCJ-IHWYPQMZSA-N 1 2 291.319 -1.736 20 0 CAADLO O=C(Cn1cnnn1)N[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@@H]1O ZINC001083329956 775433308 /nfs/dbraw/zinc/43/33/08/775433308.db2.gz BQRNABQVKNGIOA-HLTSFMKQSA-N 1 2 295.303 -3.277 20 0 CAADLO O=C(Cn1cnnn1)N[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@@H]1O ZINC001083329956 775433312 /nfs/dbraw/zinc/43/33/12/775433312.db2.gz BQRNABQVKNGIOA-HLTSFMKQSA-N 1 2 295.303 -3.277 20 0 CAADLO C[C@H](CC(N)=O)C(=O)NC/C=C/C[NH2+]Cc1nnnn1C ZINC001268572316 775435056 /nfs/dbraw/zinc/43/50/56/775435056.db2.gz KVBZORGZQOVKSC-CDAZIORVSA-N 1 2 295.347 -1.516 20 0 CAADLO Cc1nnc(C[NH2+]CC=CCNC(=O)[C@@H]2CNC(=O)N2)o1 ZINC001268584096 775436427 /nfs/dbraw/zinc/43/64/27/775436427.db2.gz IMZZSXGMPZIHPC-XADBCAIWSA-N 1 2 294.315 -1.179 20 0 CAADLO Cc1nnc(C[NH2+]CC=CCNC(=O)[C@H]2CNC(=O)N2)o1 ZINC001268584089 775436776 /nfs/dbraw/zinc/43/67/76/775436776.db2.gz IMZZSXGMPZIHPC-GKQMSVHHSA-N 1 2 294.315 -1.179 20 0 CAADLO CO[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@H]1NC(=O)CNC(N)=O ZINC001211833567 775437920 /nfs/dbraw/zinc/43/79/20/775437920.db2.gz DUKLNDLBMFDZBO-HRDYMLBCSA-N 1 2 299.331 -2.641 20 0 CAADLO CO[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@H]1NC(=O)CNC(N)=O ZINC001211833567 775437923 /nfs/dbraw/zinc/43/79/23/775437923.db2.gz DUKLNDLBMFDZBO-HRDYMLBCSA-N 1 2 299.331 -2.641 20 0 CAADLO O=C(NCC=CC[NH2+]Cc1ncccn1)[C@@H]1CNC(=O)N1 ZINC001268587179 775438168 /nfs/dbraw/zinc/43/81/68/775438168.db2.gz TVOVLISOYGATQI-SYBPUXJVSA-N 1 2 290.327 -1.080 20 0 CAADLO CO[C@@H]1C[N@@H+]([C@H](C)C(N)=O)C[C@H]1NC(=O)CNC(N)=O ZINC001211825823 775438903 /nfs/dbraw/zinc/43/89/03/775438903.db2.gz WXNDBIKMKRRUBF-BWZBUEFSSA-N 1 2 287.320 -2.656 20 0 CAADLO CO[C@@H]1C[N@H+]([C@H](C)C(N)=O)C[C@H]1NC(=O)CNC(N)=O ZINC001211825823 775438909 /nfs/dbraw/zinc/43/89/09/775438909.db2.gz WXNDBIKMKRRUBF-BWZBUEFSSA-N 1 2 287.320 -2.656 20 0 CAADLO O=C(NCC=CC[NH2+]Cc1ncccn1)[C@H]1CNC(=O)N1 ZINC001268587180 775439177 /nfs/dbraw/zinc/43/91/77/775439177.db2.gz TVOVLISOYGATQI-TXXBHVLJSA-N 1 2 290.327 -1.080 20 0 CAADLO NC(=O)[C@@H]1C[C@@H]1C(=O)NC/C=C\C[NH2+]Cc1cnon1 ZINC001268590669 775440614 /nfs/dbraw/zinc/44/06/14/775440614.db2.gz INVZOTADMAPBBO-SZXTZRQCSA-N 1 2 279.300 -1.047 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)Cn2cccn2)[C@@H](O)C1 ZINC001083340667 775441706 /nfs/dbraw/zinc/44/17/06/775441706.db2.gz OYWIVPPELVVEHI-MXWKQRLJSA-N 1 2 295.343 -1.821 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)Cn2cccn2)[C@@H](O)C1 ZINC001083340667 775441714 /nfs/dbraw/zinc/44/17/14/775441714.db2.gz OYWIVPPELVVEHI-MXWKQRLJSA-N 1 2 295.343 -1.821 20 0 CAADLO CC(C)C(=O)N[C@@H]1C[N@@H+]([C@H]2CCC(=O)NC2=O)C[C@@H]1O ZINC001083344744 775441871 /nfs/dbraw/zinc/44/18/71/775441871.db2.gz DSZRTGWTBSDKLS-UTLUCORTSA-N 1 2 283.328 -1.391 20 0 CAADLO CC(C)C(=O)N[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@@H]1O ZINC001083344732 775442106 /nfs/dbraw/zinc/44/21/06/775442106.db2.gz DFUSLPJRUVBFEQ-ZJUUUORDSA-N 1 2 257.334 -1.108 20 0 CAADLO CC(C)C(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@@H]1O ZINC001083344732 775442110 /nfs/dbraw/zinc/44/21/10/775442110.db2.gz DFUSLPJRUVBFEQ-ZJUUUORDSA-N 1 2 257.334 -1.108 20 0 CAADLO CC(C)C(=O)N[C@@H]1C[N@H+]([C@H]2CCC(=O)NC2=O)C[C@@H]1O ZINC001083344744 775441876 /nfs/dbraw/zinc/44/18/76/775441876.db2.gz DSZRTGWTBSDKLS-UTLUCORTSA-N 1 2 283.328 -1.391 20 0 CAADLO Cn1cccc1C(=O)N[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@@H]1O ZINC001083344454 775442278 /nfs/dbraw/zinc/44/22/78/775442278.db2.gz PZQIFDPLJKNJHH-USWWRNFRSA-N 1 2 292.339 -1.312 20 0 CAADLO Cn1cccc1C(=O)N[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@@H]1O ZINC001083344454 775442282 /nfs/dbraw/zinc/44/22/82/775442282.db2.gz PZQIFDPLJKNJHH-USWWRNFRSA-N 1 2 292.339 -1.312 20 0 CAADLO O=C(Cn1cccn1)N[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@@H]1O ZINC001083339839 775442644 /nfs/dbraw/zinc/44/26/44/775442644.db2.gz DGHATHKOZNOPOF-VWYCJHECSA-N 1 2 293.327 -2.067 20 0 CAADLO O=C(Cn1cccn1)N[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@@H]1O ZINC001083339839 775442649 /nfs/dbraw/zinc/44/26/49/775442649.db2.gz DGHATHKOZNOPOF-VWYCJHECSA-N 1 2 293.327 -2.067 20 0 CAADLO O=C(N[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@@H]1O)c1ccc[nH]1 ZINC001083337014 775442722 /nfs/dbraw/zinc/44/27/22/775442722.db2.gz XYALYXSTJWDNPQ-MXWKQRLJSA-N 1 2 278.312 -1.322 20 0 CAADLO O=C(N[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@@H]1O)c1ccc[nH]1 ZINC001083337014 775442728 /nfs/dbraw/zinc/44/27/28/775442728.db2.gz XYALYXSTJWDNPQ-MXWKQRLJSA-N 1 2 278.312 -1.322 20 0 CAADLO CN(C)C(=O)C[N@H+]1C[C@@H](NC(=O)Cn2cccn2)[C@@H](O)C1 ZINC001083339883 775443197 /nfs/dbraw/zinc/44/31/97/775443197.db2.gz GJHZBFPPKRNILY-MNOVXSKESA-N 1 2 295.343 -1.867 20 0 CAADLO CN(C)C(=O)C[N@@H+]1C[C@@H](NC(=O)Cn2cccn2)[C@@H](O)C1 ZINC001083339883 775443209 /nfs/dbraw/zinc/44/32/09/775443209.db2.gz GJHZBFPPKRNILY-MNOVXSKESA-N 1 2 295.343 -1.867 20 0 CAADLO C[C@@H](C(=O)N(C)C)[N@H+]1C[C@@H](NC(=O)c2ccn[nH]2)[C@@H](O)C1 ZINC001083349069 775444011 /nfs/dbraw/zinc/44/40/11/775444011.db2.gz LAUYILAEEDQASJ-GDPRMGEGSA-N 1 2 295.343 -1.339 20 0 CAADLO C[C@@H](C(=O)N(C)C)[N@@H+]1C[C@@H](NC(=O)c2ccn[nH]2)[C@@H](O)C1 ZINC001083349069 775444015 /nfs/dbraw/zinc/44/40/15/775444015.db2.gz LAUYILAEEDQASJ-GDPRMGEGSA-N 1 2 295.343 -1.339 20 0 CAADLO COCC[N@H+]1C[C@@H](NC(=O)c2cnns2)[C@@H](O)C1 ZINC001083351491 775444600 /nfs/dbraw/zinc/44/46/00/775444600.db2.gz FCWGZDNWYPBXGZ-SFYZADRCSA-N 1 2 272.330 -1.041 20 0 CAADLO COCC[N@@H+]1C[C@@H](NC(=O)c2cnns2)[C@@H](O)C1 ZINC001083351491 775444609 /nfs/dbraw/zinc/44/46/09/775444609.db2.gz FCWGZDNWYPBXGZ-SFYZADRCSA-N 1 2 272.330 -1.041 20 0 CAADLO CN(C)C(=O)C[N@H+]1C[C@@H](NC(=O)C[C@@H]2CCCO2)[C@@H](O)C1 ZINC001083351977 775445244 /nfs/dbraw/zinc/44/52/44/775445244.db2.gz UTTDKINDQLOKSO-TUAOUCFPSA-N 1 2 299.371 -1.195 20 0 CAADLO CN(C)C(=O)C[N@@H+]1C[C@@H](NC(=O)C[C@@H]2CCCO2)[C@@H](O)C1 ZINC001083351977 775445248 /nfs/dbraw/zinc/44/52/48/775445248.db2.gz UTTDKINDQLOKSO-TUAOUCFPSA-N 1 2 299.371 -1.195 20 0 CAADLO CNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)c2cn[nH]c2)[C@@H](O)C1 ZINC001083353532 775446474 /nfs/dbraw/zinc/44/64/74/775446474.db2.gz JHLTUHMNTGYMFT-SFGNSQDASA-N 1 2 281.316 -1.681 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2cn[nH]c2)[C@@H](O)C1 ZINC001083353532 775446480 /nfs/dbraw/zinc/44/64/80/775446480.db2.gz JHLTUHMNTGYMFT-SFGNSQDASA-N 1 2 281.316 -1.681 20 0 CAADLO C[C@@H](O)C[N@H+]1C[C@@H](NC(=O)c2cnns2)[C@@H](O)C1 ZINC001083355795 775447357 /nfs/dbraw/zinc/44/73/57/775447357.db2.gz OEVIBTFUTVCFNG-PRJMDXOYSA-N 1 2 272.330 -1.306 20 0 CAADLO C[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)c2cnns2)[C@@H](O)C1 ZINC001083355795 775447360 /nfs/dbraw/zinc/44/73/60/775447360.db2.gz OEVIBTFUTVCFNG-PRJMDXOYSA-N 1 2 272.330 -1.306 20 0 CAADLO Cc1cnn(CC(=O)N[C@@H]2C[N@H+]([C@@H](C)C(N)=O)C[C@@H]2O)c1 ZINC001083358751 775448296 /nfs/dbraw/zinc/44/82/96/775448296.db2.gz YAAVOIKMEMTQTF-AXFHLTTASA-N 1 2 295.343 -1.773 20 0 CAADLO Cc1cnn(CC(=O)N[C@@H]2C[N@@H+]([C@@H](C)C(N)=O)C[C@@H]2O)c1 ZINC001083358751 775448310 /nfs/dbraw/zinc/44/83/10/775448310.db2.gz YAAVOIKMEMTQTF-AXFHLTTASA-N 1 2 295.343 -1.773 20 0 CAADLO CNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)c2ccnn2C)[C@@H](O)C1 ZINC001083365266 775450895 /nfs/dbraw/zinc/45/08/95/775450895.db2.gz DYOZWDBLJRGVMP-NGZCFLSTSA-N 1 2 295.343 -1.671 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2ccnn2C)[C@@H](O)C1 ZINC001083365266 775450898 /nfs/dbraw/zinc/45/08/98/775450898.db2.gz DYOZWDBLJRGVMP-NGZCFLSTSA-N 1 2 295.343 -1.671 20 0 CAADLO CC[C@@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)c2ccnn2C)[C@@H](O)C1 ZINC001083365252 775451022 /nfs/dbraw/zinc/45/10/22/775451022.db2.gz DMHGZYZNXZFXMQ-YWVKMMECSA-N 1 2 295.343 -1.541 20 0 CAADLO CC[C@@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)c2ccnn2C)[C@@H](O)C1 ZINC001083365252 775451026 /nfs/dbraw/zinc/45/10/26/775451026.db2.gz DMHGZYZNXZFXMQ-YWVKMMECSA-N 1 2 295.343 -1.541 20 0 CAADLO CC[C@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)c2cnc(C)[nH]2)[C@@H](O)C1 ZINC001083372352 775452628 /nfs/dbraw/zinc/45/26/28/775452628.db2.gz LZQUSAASAZCYAC-MXWKQRLJSA-N 1 2 295.343 -1.243 20 0 CAADLO CC[C@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)c2cnc(C)[nH]2)[C@@H](O)C1 ZINC001083372352 775452635 /nfs/dbraw/zinc/45/26/35/775452635.db2.gz LZQUSAASAZCYAC-MXWKQRLJSA-N 1 2 295.343 -1.243 20 0 CAADLO CN(C)C(=O)C[N@H+]1C[C@@H](NC(=O)[C@H]2CCC(=O)N2)[C@@H](O)C1 ZINC001083371897 775452999 /nfs/dbraw/zinc/45/29/99/775452999.db2.gz PVSBZZBZNRXNKX-BBBLOLIVSA-N 1 2 298.343 -2.486 20 0 CAADLO CN(C)C(=O)C[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC(=O)N2)[C@@H](O)C1 ZINC001083371897 775453002 /nfs/dbraw/zinc/45/30/02/775453002.db2.gz PVSBZZBZNRXNKX-BBBLOLIVSA-N 1 2 298.343 -2.486 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)Cc2cc[nH]n2)[C@@H](O)C1 ZINC001083381923 775454404 /nfs/dbraw/zinc/45/44/04/775454404.db2.gz JIKUQQHPQLMLIC-IEBDPFPHSA-N 1 2 295.343 -1.752 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)Cc2cc[nH]n2)[C@@H](O)C1 ZINC001083381923 775454414 /nfs/dbraw/zinc/45/44/14/775454414.db2.gz JIKUQQHPQLMLIC-IEBDPFPHSA-N 1 2 295.343 -1.752 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)Cc2cc[nH]n2)[C@@H](O)C1 ZINC001083381049 775455179 /nfs/dbraw/zinc/45/51/79/775455179.db2.gz SIILVPXIRBSYHC-QNSHHTMESA-N 1 2 281.316 -2.013 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)Cc2cc[nH]n2)[C@@H](O)C1 ZINC001083381049 775455185 /nfs/dbraw/zinc/45/51/85/775455185.db2.gz SIILVPXIRBSYHC-QNSHHTMESA-N 1 2 281.316 -2.013 20 0 CAADLO CC[C@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)Cc2cc[nH]n2)[C@@H](O)C1 ZINC001083380656 775455720 /nfs/dbraw/zinc/45/57/20/775455720.db2.gz DMSSLEUGGJLYHU-MXWKQRLJSA-N 1 2 295.343 -1.623 20 0 CAADLO CC[C@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)Cc2cc[nH]n2)[C@@H](O)C1 ZINC001083380656 775455724 /nfs/dbraw/zinc/45/57/24/775455724.db2.gz DMSSLEUGGJLYHU-MXWKQRLJSA-N 1 2 295.343 -1.623 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)CC2CCOCC2)[C@@H](O)C1 ZINC001083377694 775456033 /nfs/dbraw/zinc/45/60/33/775456033.db2.gz FMCCCBUARGEXOL-JLLWLGSASA-N 1 2 299.371 -1.162 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)CC2CCOCC2)[C@@H](O)C1 ZINC001083377694 775456040 /nfs/dbraw/zinc/45/60/40/775456040.db2.gz FMCCCBUARGEXOL-JLLWLGSASA-N 1 2 299.371 -1.162 20 0 CAADLO CNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)Cc2cc[nH]n2)[C@@H](O)C1 ZINC001083381922 775456371 /nfs/dbraw/zinc/45/63/71/775456371.db2.gz JIKUQQHPQLMLIC-GDPRMGEGSA-N 1 2 295.343 -1.752 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)Cc2cc[nH]n2)[C@@H](O)C1 ZINC001083381922 775456377 /nfs/dbraw/zinc/45/63/77/775456377.db2.gz JIKUQQHPQLMLIC-GDPRMGEGSA-N 1 2 295.343 -1.752 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)CC2CCOCC2)[C@@H](O)C1 ZINC001083377695 775456443 /nfs/dbraw/zinc/45/64/43/775456443.db2.gz FMCCCBUARGEXOL-WCQGTBRESA-N 1 2 299.371 -1.162 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)CC2CCOCC2)[C@@H](O)C1 ZINC001083377695 775456449 /nfs/dbraw/zinc/45/64/49/775456449.db2.gz FMCCCBUARGEXOL-WCQGTBRESA-N 1 2 299.371 -1.162 20 0 CAADLO CN(C)C(=O)C[N@H+]1C[C@@H](NC(=O)Cc2ccon2)[C@@H](O)C1 ZINC001083378110 775456468 /nfs/dbraw/zinc/45/64/68/775456468.db2.gz AQBPRBJESPIMSR-MNOVXSKESA-N 1 2 296.327 -1.533 20 0 CAADLO CN(C)C(=O)C[N@@H+]1C[C@@H](NC(=O)Cc2ccon2)[C@@H](O)C1 ZINC001083378110 775456473 /nfs/dbraw/zinc/45/64/73/775456473.db2.gz AQBPRBJESPIMSR-MNOVXSKESA-N 1 2 296.327 -1.533 20 0 CAADLO Cc1[nH]ccc1C(=O)N[C@@H]1C[N@H+]([C@H](C)C(N)=O)C[C@@H]1O ZINC001083394975 775457220 /nfs/dbraw/zinc/45/72/20/775457220.db2.gz SRYBQMRWZDKLHM-IEBDPFPHSA-N 1 2 280.328 -1.028 20 0 CAADLO Cc1[nH]ccc1C(=O)N[C@@H]1C[N@@H+]([C@H](C)C(N)=O)C[C@@H]1O ZINC001083394975 775457224 /nfs/dbraw/zinc/45/72/24/775457224.db2.gz SRYBQMRWZDKLHM-IEBDPFPHSA-N 1 2 280.328 -1.028 20 0 CAADLO Cc1[nH]ccc1C(=O)N[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@@H]1O ZINC001083396332 775457890 /nfs/dbraw/zinc/45/78/90/775457890.db2.gz ISDPSKICRXFJNJ-UTUOFQBUSA-N 1 2 292.339 -1.013 20 0 CAADLO Cc1[nH]ccc1C(=O)N[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@@H]1O ZINC001083396332 775457898 /nfs/dbraw/zinc/45/78/98/775457898.db2.gz ISDPSKICRXFJNJ-UTUOFQBUSA-N 1 2 292.339 -1.013 20 0 CAADLO NC(=O)NCCC(=O)NC/C=C/C[NH2+]Cc1cnon1 ZINC001268623334 775459296 /nfs/dbraw/zinc/45/92/96/775459296.db2.gz MFHKDAJUYYXAFE-OWOJBTEDSA-N 1 2 282.304 -1.110 20 0 CAADLO C[C@H](CNC(=O)CC(N)=O)NC(=O)Cn1cc[nH+]c1 ZINC001284216518 775461287 /nfs/dbraw/zinc/46/12/87/775461287.db2.gz RUWQXLIVCNQBNH-MRVPVSSYSA-N 1 2 267.289 -1.621 20 0 CAADLO Cn1nccc1CC(=O)NCC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001126392860 775462154 /nfs/dbraw/zinc/46/21/54/775462154.db2.gz BHYCLCCQTTVLMK-UHFFFAOYSA-N 1 2 293.331 -1.710 20 0 CAADLO COc1cccc([C@H](O)C[NH2+]C(C(N)=O)C(N)=O)c1 ZINC000710086386 775468576 /nfs/dbraw/zinc/46/85/76/775468576.db2.gz VQSBKVAVMDVMQT-SECBINFHSA-N 1 2 267.285 -1.343 20 0 CAADLO Cc1ccc(OC[C@H](O)C[NH2+]C(C(N)=O)C(N)=O)cc1 ZINC000710086512 775468961 /nfs/dbraw/zinc/46/89/61/775468961.db2.gz NOICWCGYEPBYMM-SECBINFHSA-N 1 2 281.312 -1.336 20 0 CAADLO CCCn1nnnc1C[NH2+]C[C@H](C)NC(=O)C(N)=O ZINC001268702057 775469908 /nfs/dbraw/zinc/46/99/08/775469908.db2.gz RODUKHZTCMTOBQ-ZETCQYMHSA-N 1 2 269.309 -1.837 20 0 CAADLO CC(C)(C(N)=O)C(=O)NCC1C[NH+](CC(N)=O)C1 ZINC001268837992 775476467 /nfs/dbraw/zinc/47/64/67/775476467.db2.gz NHJFIIAKXJSHEW-UHFFFAOYSA-N 1 2 256.306 -1.969 20 0 CAADLO Cc1cc(C[NH+]2CC(CNC(=O)C(N)=O)C2)ncn1 ZINC001268874596 775478169 /nfs/dbraw/zinc/47/81/69/775478169.db2.gz UXRSMNPKWOJBFQ-UHFFFAOYSA-N 1 2 263.301 -1.182 20 0 CAADLO CNC(=O)C1(C(=O)NCC2C[NH+]([C@H](C)C(N)=O)C2)CCC1 ZINC001268900503 775479938 /nfs/dbraw/zinc/47/99/38/775479938.db2.gz IBTBKYISNZPNOY-SECBINFHSA-N 1 2 296.371 -1.176 20 0 CAADLO CN1CC(=O)N(CC(=O)NCC2C[NH+](CCF)C2)C1=O ZINC001268906804 775480098 /nfs/dbraw/zinc/48/00/98/775480098.db2.gz YQRVMYNKRJJBTN-UHFFFAOYSA-N 1 2 286.307 -1.102 20 0 CAADLO C[C@@H](C(N)=O)[NH+]1CC(CNC(=O)CN2C(=O)CNC2=O)C1 ZINC001268906734 775480420 /nfs/dbraw/zinc/48/04/20/775480420.db2.gz VKSKBYSVDJYAAT-ZETCQYMHSA-N 1 2 297.315 -2.540 20 0 CAADLO CNC(=O)/C=C/C(=O)N1C[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC001268986758 775481180 /nfs/dbraw/zinc/48/11/80/775481180.db2.gz BYESYXJUQZJPGH-OHINUGQQSA-N 1 2 253.302 -1.170 20 0 CAADLO CNC(=O)/C=C/C(=O)N1C[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC001268986758 775481184 /nfs/dbraw/zinc/48/11/84/775481184.db2.gz BYESYXJUQZJPGH-OHINUGQQSA-N 1 2 253.302 -1.170 20 0 CAADLO CC(C)CNC(=O)[C@@H](C)[N@@H+]1CC[C@H](NC(=O)C(N)=O)C1 ZINC001269061765 775487109 /nfs/dbraw/zinc/48/71/09/775487109.db2.gz PIDYTDLLZKLGRN-ZJUUUORDSA-N 1 2 284.360 -1.177 20 0 CAADLO CC(C)CNC(=O)[C@@H](C)[N@H+]1CC[C@H](NC(=O)C(N)=O)C1 ZINC001269061765 775487112 /nfs/dbraw/zinc/48/71/12/775487112.db2.gz PIDYTDLLZKLGRN-ZJUUUORDSA-N 1 2 284.360 -1.177 20 0 CAADLO CC(C)CNC(=O)[C@H](C)[N@@H+]1CC[C@H](NC(=O)C(N)=O)C1 ZINC001269061764 775487690 /nfs/dbraw/zinc/48/76/90/775487690.db2.gz PIDYTDLLZKLGRN-UWVGGRQHSA-N 1 2 284.360 -1.177 20 0 CAADLO CC(C)CNC(=O)[C@H](C)[N@H+]1CC[C@H](NC(=O)C(N)=O)C1 ZINC001269061764 775487697 /nfs/dbraw/zinc/48/76/97/775487697.db2.gz PIDYTDLLZKLGRN-UWVGGRQHSA-N 1 2 284.360 -1.177 20 0 CAADLO CCCCNC(=O)[C@H](C)[N@@H+]1CC[C@H](NC(=O)C(N)=O)C1 ZINC001269060941 775487981 /nfs/dbraw/zinc/48/79/81/775487981.db2.gz CKTRKMNABISQEN-UWVGGRQHSA-N 1 2 284.360 -1.033 20 0 CAADLO CCCCNC(=O)[C@H](C)[N@H+]1CC[C@H](NC(=O)C(N)=O)C1 ZINC001269060941 775487986 /nfs/dbraw/zinc/48/79/86/775487986.db2.gz CKTRKMNABISQEN-UWVGGRQHSA-N 1 2 284.360 -1.033 20 0 CAADLO CCCCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](NC(=O)C(N)=O)C1 ZINC001269060942 775488193 /nfs/dbraw/zinc/48/81/93/775488193.db2.gz CKTRKMNABISQEN-ZJUUUORDSA-N 1 2 284.360 -1.033 20 0 CAADLO CCCCNC(=O)[C@@H](C)[N@H+]1CC[C@H](NC(=O)C(N)=O)C1 ZINC001269060942 775488199 /nfs/dbraw/zinc/48/81/99/775488199.db2.gz CKTRKMNABISQEN-ZJUUUORDSA-N 1 2 284.360 -1.033 20 0 CAADLO CC(=O)N(C)CC(=O)N[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001269108412 775491037 /nfs/dbraw/zinc/49/10/37/775491037.db2.gz VLEVUOWZNRVVRJ-SECBINFHSA-N 1 2 256.306 -1.860 20 0 CAADLO CC(=O)N(C)CC(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001269108412 775491040 /nfs/dbraw/zinc/49/10/40/775491040.db2.gz VLEVUOWZNRVVRJ-SECBINFHSA-N 1 2 256.306 -1.860 20 0 CAADLO CN1CC2(CN(C(=O)[C@@H](CO)n3cc[nH+]c3)C2)OCC1=O ZINC001269160383 775493138 /nfs/dbraw/zinc/49/31/38/775493138.db2.gz CTAVDVZYYUPKBP-SNVBAGLBSA-N 1 2 294.311 -1.514 20 0 CAADLO CC[C@H](C(N)=O)[N@@H+]1CC[C@H]1CNC(=O)CC(N)=O ZINC001269216971 775496789 /nfs/dbraw/zinc/49/67/89/775496789.db2.gz YFQXXPKKFLRGIC-JGVFFNPUSA-N 1 2 256.306 -1.684 20 0 CAADLO CC[C@H](C(N)=O)[N@H+]1CC[C@H]1CNC(=O)CC(N)=O ZINC001269216971 775496795 /nfs/dbraw/zinc/49/67/95/775496795.db2.gz YFQXXPKKFLRGIC-JGVFFNPUSA-N 1 2 256.306 -1.684 20 0 CAADLO Cc1noc(CCC[N@@H+]2CC[C@H]2CNC(=O)C(N)=O)n1 ZINC001269286518 775501064 /nfs/dbraw/zinc/50/10/64/775501064.db2.gz OWVAVMCADFJATP-VIFPVBQESA-N 1 2 281.316 -1.014 20 0 CAADLO Cc1noc(CCC[N@H+]2CC[C@H]2CNC(=O)C(N)=O)n1 ZINC001269286518 775501069 /nfs/dbraw/zinc/50/10/69/775501069.db2.gz OWVAVMCADFJATP-VIFPVBQESA-N 1 2 281.316 -1.014 20 0 CAADLO Cn1nnc2c(C(=O)N3[C@@H]4C[C@H]3C[N@@H+](C)C4)ncn2c1=O ZINC001269292713 775501426 /nfs/dbraw/zinc/50/14/26/775501426.db2.gz XUHCGIKFWOKUAJ-OCAPTIKFSA-N 1 2 289.299 -1.649 20 0 CAADLO Cn1nnc2c(C(=O)N3[C@@H]4C[C@H]3C[N@H+](C)C4)ncn2c1=O ZINC001269292713 775501435 /nfs/dbraw/zinc/50/14/35/775501435.db2.gz XUHCGIKFWOKUAJ-OCAPTIKFSA-N 1 2 289.299 -1.649 20 0 CAADLO C[N@H+]1C[C@H]2C[C@@H](C1)N2C(=O)[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O ZINC001269302310 775501833 /nfs/dbraw/zinc/50/18/33/775501833.db2.gz QHVMALNDSKPSDK-CXLIINTQSA-N 1 2 288.300 -3.299 20 0 CAADLO C[N@@H+]1C[C@H]2C[C@@H](C1)N2C(=O)[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O ZINC001269302310 775501841 /nfs/dbraw/zinc/50/18/41/775501841.db2.gz QHVMALNDSKPSDK-CXLIINTQSA-N 1 2 288.300 -3.299 20 0 CAADLO Cn1c[nH+]cc1CC(=O)NC[C@H]1CCN1CC(N)=O ZINC001269333313 775503586 /nfs/dbraw/zinc/50/35/86/775503586.db2.gz VELAUIWITAHXMU-SECBINFHSA-N 1 2 265.317 -1.362 20 0 CAADLO Cn1ncc(C[NH2+]C2(CNC(=O)[C@@H]3CCNC3=O)CC2)n1 ZINC001269464938 775508816 /nfs/dbraw/zinc/50/88/16/775508816.db2.gz QUIXMTUFAOACBY-SNVBAGLBSA-N 1 2 292.343 -1.310 20 0 CAADLO COCCOCC[NH+]1CC(N(C)C(=O)[C@H]2CCNC2=O)C1 ZINC001269832057 775517318 /nfs/dbraw/zinc/51/73/18/775517318.db2.gz NIKJWHVPPXGNDN-LBPRGKRZSA-N 1 2 299.371 -1.072 20 0 CAADLO CN(C(=O)c1cn[nH]c(=O)c1)C1C[NH+](CCOCCO)C1 ZINC001269805706 775518194 /nfs/dbraw/zinc/51/81/94/775518194.db2.gz LUBLMJNSGAUXET-UHFFFAOYSA-N 1 2 296.327 -1.053 20 0 CAADLO Cn1nnc(CNCCNC(=O)CCc2[nH]cc[nH+]2)n1 ZINC001126437181 775519806 /nfs/dbraw/zinc/51/98/06/775519806.db2.gz VCIVPJFLWXTBII-UHFFFAOYSA-N 1 2 278.320 -1.228 20 0 CAADLO NC(=O)C1=NO[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]12 ZINC001270043346 775521157 /nfs/dbraw/zinc/52/11/57/775521157.db2.gz CICNXIXJYHNKLS-JGVFFNPUSA-N 1 2 263.257 -1.418 20 0 CAADLO C[NH+](C)CCN1C[C@@H]2CCN(C(=O)Cc3nn[nH]n3)[C@@H]2C1 ZINC001270182966 775524611 /nfs/dbraw/zinc/52/46/11/775524611.db2.gz OSFFKCYAJMMHIQ-WDEREUQCSA-N 1 2 293.375 -1.164 20 0 CAADLO CN(C[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1)C(=O)C(N)=O ZINC001284845384 775524998 /nfs/dbraw/zinc/52/49/98/775524998.db2.gz DIIIYABOCSQMKF-SECBINFHSA-N 1 2 293.327 -1.256 20 0 CAADLO C[NH+](C)CCN1CCC2(CN(C(=O)Cc3nn[nH]n3)C2)C1 ZINC001270183511 775525303 /nfs/dbraw/zinc/52/53/03/775525303.db2.gz XXZYJKLXPJCZHF-UHFFFAOYSA-N 1 2 293.375 -1.162 20 0 CAADLO C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2C(=O)Cc1nn[nH]n1 ZINC001270182855 775526025 /nfs/dbraw/zinc/52/60/25/775526025.db2.gz MNENIIOUWSHQII-QWRGUYRKSA-N 1 2 293.375 -1.021 20 0 CAADLO Cn1ncnc1C(=O)N1C[C@@H]2C[N@@H+](C)C[C@H](C1)O2 ZINC001270212130 775526696 /nfs/dbraw/zinc/52/66/96/775526696.db2.gz RSAXVQLXLCDJGG-DTORHVGOSA-N 1 2 251.290 -1.030 20 0 CAADLO Cn1ncnc1C(=O)N1C[C@@H]2C[N@H+](C)C[C@H](C1)O2 ZINC001270212130 775526699 /nfs/dbraw/zinc/52/66/99/775526699.db2.gz RSAXVQLXLCDJGG-DTORHVGOSA-N 1 2 251.290 -1.030 20 0 CAADLO Cn1c[nH+]cc1CN1C(=O)COCC12CN(C(=O)CO)C2 ZINC001270428828 775532151 /nfs/dbraw/zinc/53/21/51/775532151.db2.gz ZWVAMDRGAISICQ-UHFFFAOYSA-N 1 2 294.311 -1.648 20 0 CAADLO C[C@H](CNC(=O)c1[nH]ncc1F)C[NH2+]CC(N)=O ZINC001270508387 775535260 /nfs/dbraw/zinc/53/52/60/775535260.db2.gz TWHKFQSWWHDNEL-LURJTMIESA-N 1 2 257.269 -1.010 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)c2cc[nH]c(=O)c2)[C@@H](O)C1 ZINC001083401903 775535958 /nfs/dbraw/zinc/53/59/58/775535958.db2.gz DIIQZUXZQNOSLZ-QNSHHTMESA-N 1 2 294.311 -1.564 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)c2cc[nH]c(=O)c2)[C@@H](O)C1 ZINC001083401903 775535973 /nfs/dbraw/zinc/53/59/73/775535973.db2.gz DIIQZUXZQNOSLZ-QNSHHTMESA-N 1 2 294.311 -1.564 20 0 CAADLO O=C(N[C@@H]1C[N@H+](CCF)C[C@@H]1O)[C@H]1CCNC(=O)C1 ZINC001083403962 775538492 /nfs/dbraw/zinc/53/84/92/775538492.db2.gz SUCISIJFVMDSSN-AEJSXWLSSA-N 1 2 273.308 -1.357 20 0 CAADLO O=C(N[C@@H]1C[N@@H+](CCF)C[C@@H]1O)[C@H]1CCNC(=O)C1 ZINC001083403962 775538482 /nfs/dbraw/zinc/53/84/82/775538482.db2.gz SUCISIJFVMDSSN-AEJSXWLSSA-N 1 2 273.308 -1.357 20 0 CAADLO O=C(NC[C@H]1C[N@H+](CCOCCO)CCO1)c1ccn[nH]1 ZINC001270619451 775538611 /nfs/dbraw/zinc/53/86/11/775538611.db2.gz DMDRAQWQYKVQLC-NSHDSACASA-N 1 2 298.343 -1.151 20 0 CAADLO O=C(NC[C@H]1C[N@@H+](CCOCCO)CCO1)c1ccn[nH]1 ZINC001270619451 775538619 /nfs/dbraw/zinc/53/86/19/775538619.db2.gz DMDRAQWQYKVQLC-NSHDSACASA-N 1 2 298.343 -1.151 20 0 CAADLO Cn1cnc(C(=O)N2CC[C@H]3C[N@H+](CC(N)=O)C[C@H]32)n1 ZINC001075761102 775539980 /nfs/dbraw/zinc/53/99/80/775539980.db2.gz UQBRROWIQHDIKN-DTWKUNHWSA-N 1 2 278.316 -1.553 20 0 CAADLO Cn1cnc(C(=O)N2CC[C@H]3C[N@@H+](CC(N)=O)C[C@H]32)n1 ZINC001075761102 775539991 /nfs/dbraw/zinc/53/99/91/775539991.db2.gz UQBRROWIQHDIKN-DTWKUNHWSA-N 1 2 278.316 -1.553 20 0 CAADLO COC[C@H](O)C[N@@H+]1CCO[C@H](CNC(=O)CC(N)=O)C1 ZINC001270628141 775540054 /nfs/dbraw/zinc/54/00/54/775540054.db2.gz AZNQNDFZENUGEF-NXEZZACHSA-N 1 2 289.332 -2.314 20 0 CAADLO COC[C@H](O)C[N@H+]1CCO[C@H](CNC(=O)CC(N)=O)C1 ZINC001270628141 775540065 /nfs/dbraw/zinc/54/00/65/775540065.db2.gz AZNQNDFZENUGEF-NXEZZACHSA-N 1 2 289.332 -2.314 20 0 CAADLO CNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)c3ncn(C)n3)[C@@H]2C1 ZINC001075761186 775540353 /nfs/dbraw/zinc/54/03/53/775540353.db2.gz ZATBUNJOUDDCHH-VHSXEESVSA-N 1 2 292.343 -1.293 20 0 CAADLO CNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)c3ncn(C)n3)[C@@H]2C1 ZINC001075761186 775540361 /nfs/dbraw/zinc/54/03/61/775540361.db2.gz ZATBUNJOUDDCHH-VHSXEESVSA-N 1 2 292.343 -1.293 20 0 CAADLO Cn1ccc(C(=O)N[C@@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@@H]2O)c1 ZINC001083406341 775541522 /nfs/dbraw/zinc/54/15/22/775541522.db2.gz CAQOYLYRCCVEJR-UTUOFQBUSA-N 1 2 292.339 -1.312 20 0 CAADLO Cn1ccc(C(=O)N[C@@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@@H]2O)c1 ZINC001083406341 775541530 /nfs/dbraw/zinc/54/15/30/775541530.db2.gz CAQOYLYRCCVEJR-UTUOFQBUSA-N 1 2 292.339 -1.312 20 0 CAADLO CNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)c2ccn(C)c2)[C@@H](O)C1 ZINC001083406036 775542422 /nfs/dbraw/zinc/54/24/22/775542422.db2.gz NSXXQJWBSMLVJB-WCQGTBRESA-N 1 2 294.355 -1.066 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2ccn(C)c2)[C@@H](O)C1 ZINC001083406036 775542427 /nfs/dbraw/zinc/54/24/27/775542427.db2.gz NSXXQJWBSMLVJB-WCQGTBRESA-N 1 2 294.355 -1.066 20 0 CAADLO CC[C@@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)c2cn(C)cn2)[C@@H](O)C1 ZINC001083406309 775542469 /nfs/dbraw/zinc/54/24/69/775542469.db2.gz ABWCNBDOKGZNBG-MIMYLULJSA-N 1 2 295.343 -1.541 20 0 CAADLO CC[C@@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)c2cn(C)cn2)[C@@H](O)C1 ZINC001083406309 775542475 /nfs/dbraw/zinc/54/24/75/775542475.db2.gz ABWCNBDOKGZNBG-MIMYLULJSA-N 1 2 295.343 -1.541 20 0 CAADLO CN(C)C(=O)C[N@H+]1C[C@@H](NC(=O)c2ccn(C)c2)[C@@H](O)C1 ZINC001083405733 775542593 /nfs/dbraw/zinc/54/25/93/775542593.db2.gz XQBUSMFEEPCIER-NEPJUHHUSA-N 1 2 294.355 -1.112 20 0 CAADLO CN(C)C(=O)C[N@@H+]1C[C@@H](NC(=O)c2ccn(C)c2)[C@@H](O)C1 ZINC001083405733 775542602 /nfs/dbraw/zinc/54/26/02/775542602.db2.gz XQBUSMFEEPCIER-NEPJUHHUSA-N 1 2 294.355 -1.112 20 0 CAADLO CO[C@H](C(=O)NCC[NH2+]Cc1nc(=O)n(C)[nH]1)C1CC1 ZINC001126486618 775548621 /nfs/dbraw/zinc/54/86/21/775548621.db2.gz DWZVPBLFHWJDAD-JTQLQIEISA-N 1 2 283.332 -1.261 20 0 CAADLO C[C@H](O)C[NH+]1CC(N(C)C(=O)[C@H]2COCCO2)C1 ZINC001042494699 775553585 /nfs/dbraw/zinc/55/35/85/775553585.db2.gz LCOHTRAUADYRGS-GXSJLCMTSA-N 1 2 258.318 -1.075 20 0 CAADLO Cn1nnnc1C[NH+]1CCC(C)(CNC(=O)C(N)=O)CC1 ZINC001270906074 775558061 /nfs/dbraw/zinc/55/80/61/775558061.db2.gz GOCPWUCIWKHNFD-UHFFFAOYSA-N 1 2 295.347 -1.586 20 0 CAADLO CC(=O)NC[C@]1(O)CC[N@@H+](Cc2nc(=O)n(C)[nH]2)C1 ZINC001271109420 775566657 /nfs/dbraw/zinc/56/66/57/775566657.db2.gz KONUUIMHIITJRD-LLVKDONJSA-N 1 2 269.305 -1.819 20 0 CAADLO CC(=O)NC[C@]1(O)CC[N@H+](Cc2nc(=O)n(C)[nH]2)C1 ZINC001271109420 775566666 /nfs/dbraw/zinc/56/66/66/775566666.db2.gz KONUUIMHIITJRD-LLVKDONJSA-N 1 2 269.305 -1.819 20 0 CAADLO Cn1nncc1C(=O)NCC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001126541212 775570709 /nfs/dbraw/zinc/57/07/09/775570709.db2.gz RCBPBTKWGHIDHT-UHFFFAOYSA-N 1 2 280.292 -2.244 20 0 CAADLO CC[C@@H]1[C@@H](NC(=O)c2nnn(C)n2)CC[N@@H+]1CC(N)=O ZINC001087689413 775572883 /nfs/dbraw/zinc/57/28/83/775572883.db2.gz AZOBFPXJXFHMOF-JGVFFNPUSA-N 1 2 281.320 -1.722 20 0 CAADLO CC[C@@H]1[C@@H](NC(=O)c2nnn(C)n2)CC[N@H+]1CC(N)=O ZINC001087689413 775572890 /nfs/dbraw/zinc/57/28/90/775572890.db2.gz AZOBFPXJXFHMOF-JGVFFNPUSA-N 1 2 281.320 -1.722 20 0 CAADLO Cc1nnc(C[NH2+]CCNC(=O)[C@@H]2COC(=O)N2)o1 ZINC001126548263 775575471 /nfs/dbraw/zinc/57/54/71/775575471.db2.gz HPYFRNSWQJNSMT-ZETCQYMHSA-N 1 2 269.261 -1.308 20 0 CAADLO CCc1nnc(C[NH2+]CCNC(=O)[C@H]2COC(=O)N2)o1 ZINC001126548243 775576100 /nfs/dbraw/zinc/57/61/00/775576100.db2.gz HHIJFNPHTWVBCF-SSDOTTSWSA-N 1 2 283.288 -1.054 20 0 CAADLO Cc1nnc(C[NH2+]CCNC(=O)[C@H]2COC(=O)N2)o1 ZINC001126548262 775576265 /nfs/dbraw/zinc/57/62/65/775576265.db2.gz HPYFRNSWQJNSMT-SSDOTTSWSA-N 1 2 269.261 -1.308 20 0 CAADLO O=C(NCC[NH2+]Cc1ncccn1)[C@H]1COC(=O)N1 ZINC001126548193 775577261 /nfs/dbraw/zinc/57/72/61/775577261.db2.gz GAPZTWINAUFGCG-MRVPVSSYSA-N 1 2 265.273 -1.209 20 0 CAADLO O=C(NCC[NH2+]Cc1nncs1)[C@H]1COC(=O)N1 ZINC001126553513 775579315 /nfs/dbraw/zinc/57/93/15/775579315.db2.gz JSHLCCXYDRTDMG-ZCFIWIBFSA-N 1 2 271.302 -1.148 20 0 CAADLO CCc1noc(C[NH2+]CCNC(=O)[C@@H]2COC(=O)N2)n1 ZINC001126555580 775581710 /nfs/dbraw/zinc/58/17/10/775581710.db2.gz YYJJEMNHYKLEAC-ZETCQYMHSA-N 1 2 283.288 -1.054 20 0 CAADLO CCc1noc(C[NH2+]CCNC(=O)[C@H]2COC(=O)N2)n1 ZINC001126555578 775581858 /nfs/dbraw/zinc/58/18/58/775581858.db2.gz YYJJEMNHYKLEAC-SSDOTTSWSA-N 1 2 283.288 -1.054 20 0 CAADLO O=C(CN1CN=NC1=O)N[C@@H]1C[N@@H+](CCF)C[C@@H]1O ZINC001083418831 775583374 /nfs/dbraw/zinc/58/33/74/775583374.db2.gz BXPVDYGYAHSPQU-SFYZADRCSA-N 1 2 273.268 -1.886 20 0 CAADLO O=C(CN1CN=NC1=O)N[C@@H]1C[N@H+](CCF)C[C@@H]1O ZINC001083418831 775583377 /nfs/dbraw/zinc/58/33/77/775583377.db2.gz BXPVDYGYAHSPQU-SFYZADRCSA-N 1 2 273.268 -1.886 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)CN2CN=NC2=O)[C@@H](O)C1 ZINC001083419306 775585189 /nfs/dbraw/zinc/58/51/89/775585189.db2.gz ZRMGUDGGSZHJLC-RNJXMRFFSA-N 1 2 298.303 -2.981 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)CN2CN=NC2=O)[C@@H](O)C1 ZINC001083419306 775585191 /nfs/dbraw/zinc/58/51/91/775585191.db2.gz ZRMGUDGGSZHJLC-RNJXMRFFSA-N 1 2 298.303 -2.981 20 0 CAADLO CC[C@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)c2cncnc2)[C@@H](O)C1 ZINC001083421079 775589205 /nfs/dbraw/zinc/58/92/05/775589205.db2.gz IQKMVJNQRVUOGG-MXWKQRLJSA-N 1 2 293.327 -1.485 20 0 CAADLO CC[C@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)c2cncnc2)[C@@H](O)C1 ZINC001083421079 775589211 /nfs/dbraw/zinc/58/92/11/775589211.db2.gz IQKMVJNQRVUOGG-MXWKQRLJSA-N 1 2 293.327 -1.485 20 0 CAADLO Cc1nn[nH]c1C(=O)N1C[C@@H]2C[N@@H+](CC(N)=O)CC[C@@H]2C1 ZINC001088062415 775590025 /nfs/dbraw/zinc/59/00/25/775590025.db2.gz CWXGUGKBCSXCEG-ZJUUUORDSA-N 1 2 292.343 -1.008 20 0 CAADLO Cc1nn[nH]c1C(=O)N1C[C@@H]2C[N@H+](CC(N)=O)CC[C@@H]2C1 ZINC001088062415 775590031 /nfs/dbraw/zinc/59/00/31/775590031.db2.gz CWXGUGKBCSXCEG-ZJUUUORDSA-N 1 2 292.343 -1.008 20 0 CAADLO NC(=O)[C@@H]1CCC2(CN(C(=O)[C@H](CO)n3cc[nH+]c3)C2)O1 ZINC001271177083 775590218 /nfs/dbraw/zinc/59/02/18/775590218.db2.gz KTXMRWUKFYSBLW-UWVGGRQHSA-N 1 2 294.311 -1.338 20 0 CAADLO NC(=O)[C@@]12C[C@@H]1CN(C(=O)[C@H](CO)n1cc[nH+]c1)C2 ZINC001271175809 775590464 /nfs/dbraw/zinc/59/04/64/775590464.db2.gz AFAYHJLWCKESQI-VDDIYKPWSA-N 1 2 264.285 -1.250 20 0 CAADLO NC(=O)[C@H]1CCC2(CN(C(=O)[C@@H](CO)n3cc[nH+]c3)C2)O1 ZINC001271177082 775590670 /nfs/dbraw/zinc/59/06/70/775590670.db2.gz KTXMRWUKFYSBLW-NXEZZACHSA-N 1 2 294.311 -1.338 20 0 CAADLO NC(=O)[C@@H]1CC12CN(C(=O)[C@@H](CO)n1cc[nH+]c1)C2 ZINC001271176268 775590820 /nfs/dbraw/zinc/59/08/20/775590820.db2.gz FDGXGULWCMPLCA-DTWKUNHWSA-N 1 2 264.285 -1.250 20 0 CAADLO NC(=O)C12CC(NC(=O)[C@H](CO)n3cc[nH+]c3)(C1)C2 ZINC001271178630 775590933 /nfs/dbraw/zinc/59/09/33/775590933.db2.gz XQMOHGCKFNCEEW-RKWZHAFESA-N 1 2 264.285 -1.059 20 0 CAADLO NC(=O)C12CC(NC(=O)[C@@H](CO)n3cc[nH+]c3)(C1)C2 ZINC001271178629 775591174 /nfs/dbraw/zinc/59/11/74/775591174.db2.gz XQMOHGCKFNCEEW-HUUUCTMMSA-N 1 2 264.285 -1.059 20 0 CAADLO COCCOC[C@@H](O)C[NH+]1CC(O)(CNC(C)=O)C1 ZINC001271229255 775594485 /nfs/dbraw/zinc/59/44/85/775594485.db2.gz SGSYSILMBGTHEZ-NSHDSACASA-N 1 2 276.333 -1.807 20 0 CAADLO NC(=O)[C@@H]1CC12CN(C(=O)[C@H](Cc1c[nH]c[nH+]1)NC=O)C2 ZINC001271193991 775594613 /nfs/dbraw/zinc/59/46/13/775594613.db2.gz CGWYOHYUSSIOMM-UWVGGRQHSA-N 1 2 291.311 -1.599 20 0 CAADLO NC(=O)[C@@H]1CC12CN(C(=O)[C@H](Cc1c[nH+]c[nH]1)NC=O)C2 ZINC001271193991 775594617 /nfs/dbraw/zinc/59/46/17/775594617.db2.gz CGWYOHYUSSIOMM-UWVGGRQHSA-N 1 2 291.311 -1.599 20 0 CAADLO CCCC(=O)NCC1(O)C[NH+](C[C@@H](O)COC)C1 ZINC001271235204 775594686 /nfs/dbraw/zinc/59/46/86/775594686.db2.gz CFGCSMKFMPKYAI-SNVBAGLBSA-N 1 2 260.334 -1.043 20 0 CAADLO NC(=O)[C@@]12C[C@@H]1CN(C(=O)[C@H](Cc1c[nH]c[nH+]1)NC=O)C2 ZINC001271195033 775594745 /nfs/dbraw/zinc/59/47/45/775594745.db2.gz WVHFAULGNGLRMM-DFAYQTQMSA-N 1 2 291.311 -1.599 20 0 CAADLO NC(=O)[C@@]12C[C@@H]1CN(C(=O)[C@H](Cc1c[nH+]c[nH]1)NC=O)C2 ZINC001271195033 775594748 /nfs/dbraw/zinc/59/47/48/775594748.db2.gz WVHFAULGNGLRMM-DFAYQTQMSA-N 1 2 291.311 -1.599 20 0 CAADLO NC(=O)[C@H]1CC12CN(C(=O)[C@H](Cc1c[nH]c[nH+]1)NC=O)C2 ZINC001271193992 775594770 /nfs/dbraw/zinc/59/47/70/775594770.db2.gz CGWYOHYUSSIOMM-ZJUUUORDSA-N 1 2 291.311 -1.599 20 0 CAADLO NC(=O)[C@H]1CC12CN(C(=O)[C@H](Cc1c[nH+]c[nH]1)NC=O)C2 ZINC001271193992 775594772 /nfs/dbraw/zinc/59/47/72/775594772.db2.gz CGWYOHYUSSIOMM-ZJUUUORDSA-N 1 2 291.311 -1.599 20 0 CAADLO CCOCC[NH+]1CC(O)(CNC(=O)[C@@H]2COCCO2)C1 ZINC001271244093 775595762 /nfs/dbraw/zinc/59/57/62/775595762.db2.gz GOSMFZOCSZUYKW-NSHDSACASA-N 1 2 288.344 -1.399 20 0 CAADLO CCOCC[NH+]1CC(O)(CNC(=O)[C@H]2COCCO2)C1 ZINC001271244092 775596326 /nfs/dbraw/zinc/59/63/26/775596326.db2.gz GOSMFZOCSZUYKW-LLVKDONJSA-N 1 2 288.344 -1.399 20 0 CAADLO COC[C@H](C)C(=O)NCC1(O)C[NH+](C[C@H](C)O)C1 ZINC001271262725 775597243 /nfs/dbraw/zinc/59/72/43/775597243.db2.gz OJINEIAEJKZMPW-UWVGGRQHSA-N 1 2 260.334 -1.187 20 0 CAADLO COC[C@@H](C)C(=O)NCC1(O)C[NH+](C[C@@H](C)O)C1 ZINC001271262724 775597327 /nfs/dbraw/zinc/59/73/27/775597327.db2.gz OJINEIAEJKZMPW-NXEZZACHSA-N 1 2 260.334 -1.187 20 0 CAADLO COC[C@@H](C)C(=O)NCC1(O)C[NH+](C[C@H](C)O)C1 ZINC001271262727 775597633 /nfs/dbraw/zinc/59/76/33/775597633.db2.gz OJINEIAEJKZMPW-ZJUUUORDSA-N 1 2 260.334 -1.187 20 0 CAADLO Cn1cnc(C(=O)NCC2(O)C[NH+](CCCO)C2)c1 ZINC001271269410 775598671 /nfs/dbraw/zinc/59/86/71/775598671.db2.gz FAEFESRZYSRCMK-UHFFFAOYSA-N 1 2 268.317 -1.421 20 0 CAADLO CC(C)[C@@H](O)C(=O)NCC1(O)C[NH+](CCCO)C1 ZINC001271275948 775599066 /nfs/dbraw/zinc/59/90/66/775599066.db2.gz HBORPIICBLATIE-SNVBAGLBSA-N 1 2 260.334 -1.451 20 0 CAADLO O=C(CO)N1C[C@@H]2C[N@@H+](CCn3ccnc3)C[C@H](C1)O2 ZINC001271274740 775599123 /nfs/dbraw/zinc/59/91/23/775599123.db2.gz IMKQCGJVIQLTIV-TXEJJXNPSA-N 1 2 280.328 -1.213 20 0 CAADLO O=C(CO)N1C[C@@H]2C[N@H+](CCn3ccnc3)C[C@H](C1)O2 ZINC001271274740 775599127 /nfs/dbraw/zinc/59/91/27/775599127.db2.gz IMKQCGJVIQLTIV-TXEJJXNPSA-N 1 2 280.328 -1.213 20 0 CAADLO C[N@@H+]1CCO[C@H]2CN(C(=O)CCS(N)(=O)=O)C[C@@H]21 ZINC001271285673 775599698 /nfs/dbraw/zinc/59/96/98/775599698.db2.gz YWTLQNCCXHVJOF-IUCAKERBSA-N 1 2 277.346 -1.794 20 0 CAADLO C[N@H+]1CCO[C@H]2CN(C(=O)CCS(N)(=O)=O)C[C@@H]21 ZINC001271285673 775599705 /nfs/dbraw/zinc/59/97/05/775599705.db2.gz YWTLQNCCXHVJOF-IUCAKERBSA-N 1 2 277.346 -1.794 20 0 CAADLO CC(C)C[C@H](C[NH2+]Cc1nnnn1C)NC(=O)C(N)=O ZINC001271294587 775601040 /nfs/dbraw/zinc/60/10/40/775601040.db2.gz QAHWXNZRKRZWRZ-MRVPVSSYSA-N 1 2 283.336 -1.684 20 0 CAADLO CC(C)C[C@@H](C[NH2+]Cc1nnnn1C)NC(=O)C(N)=O ZINC001271294588 775601362 /nfs/dbraw/zinc/60/13/62/775601362.db2.gz QAHWXNZRKRZWRZ-QMMMGPOBSA-N 1 2 283.336 -1.684 20 0 CAADLO Cc1nn[nH]c1C(=O)NCC1(O)C[NH+](CCCO)C1 ZINC001271335494 775603394 /nfs/dbraw/zinc/60/33/94/775603394.db2.gz JMBZXJWOJZOYFH-UHFFFAOYSA-N 1 2 269.305 -1.728 20 0 CAADLO CCOCC[NH+]1CC(O)(CNC(=O)[C@@]2(C)CCNC2=O)C1 ZINC001271356099 775604712 /nfs/dbraw/zinc/60/47/12/775604712.db2.gz AWCXWQIWBVYBSM-ZDUSSCGKSA-N 1 2 299.371 -1.288 20 0 CAADLO O=C(Cn1cncn1)NCC1(O)C[NH+](CCCO)C1 ZINC001271388509 775605883 /nfs/dbraw/zinc/60/58/83/775605883.db2.gz YPLZXUUMWKSSHL-UHFFFAOYSA-N 1 2 269.305 -2.177 20 0 CAADLO CC[NH+]1CC(O)(CNC(=O)C[C@H]2CCC(=O)N2)C1 ZINC001271367886 775606274 /nfs/dbraw/zinc/60/62/74/775606274.db2.gz FZAXYZPODLLWGN-SECBINFHSA-N 1 2 255.318 -1.162 20 0 CAADLO O=C(Cn1cc[nH+]c1)NCC1(O)CN(CCOCCO)C1 ZINC001271401060 775607803 /nfs/dbraw/zinc/60/78/03/775607803.db2.gz XCWJSASYECAKBX-UHFFFAOYSA-N 1 2 298.343 -1.945 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)C2=CCOCC2)[C@@H](O)C1 ZINC001083423929 775611391 /nfs/dbraw/zinc/61/13/91/775611391.db2.gz TZTCNHGOHAGUQN-JLLWLGSASA-N 1 2 297.355 -1.371 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)C2=CCOCC2)[C@@H](O)C1 ZINC001083423929 775611398 /nfs/dbraw/zinc/61/13/98/775611398.db2.gz TZTCNHGOHAGUQN-JLLWLGSASA-N 1 2 297.355 -1.371 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)C2=CCOCC2)[C@@H](O)C1 ZINC001083423694 775611489 /nfs/dbraw/zinc/61/14/89/775611489.db2.gz HWULEMNOWYMFQU-IEBDPFPHSA-N 1 2 283.328 -1.632 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)C2=CCOCC2)[C@@H](O)C1 ZINC001083423694 775611493 /nfs/dbraw/zinc/61/14/93/775611493.db2.gz HWULEMNOWYMFQU-IEBDPFPHSA-N 1 2 283.328 -1.632 20 0 CAADLO CC[C@@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)C2=CCOCC2)[C@@H](O)C1 ZINC001083423617 775612264 /nfs/dbraw/zinc/61/22/64/775612264.db2.gz FNBGBEATCNCKSO-WOPDTQHZSA-N 1 2 297.355 -1.242 20 0 CAADLO CC[C@@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)C2=CCOCC2)[C@@H](O)C1 ZINC001083423617 775612269 /nfs/dbraw/zinc/61/22/69/775612269.db2.gz FNBGBEATCNCKSO-WOPDTQHZSA-N 1 2 297.355 -1.242 20 0 CAADLO CNC(=O)C(=O)N1CC2(C1)C[NH+](Cc1cn[nH]c1)C2 ZINC001271529916 775613236 /nfs/dbraw/zinc/61/32/36/775613236.db2.gz ILYZORDHFMVRAK-UHFFFAOYSA-N 1 2 263.301 -1.200 20 0 CAADLO COC(=O)[C@@H]1C[N@H+](C)CCN1C(=O)Cn1cncn1 ZINC001142129377 775629469 /nfs/dbraw/zinc/62/94/69/775629469.db2.gz CWEZQKRSXMTGNM-VIFPVBQESA-N 1 2 267.289 -1.406 20 0 CAADLO COC(=O)[C@@H]1C[N@@H+](C)CCN1C(=O)Cn1cncn1 ZINC001142129377 775629474 /nfs/dbraw/zinc/62/94/74/775629474.db2.gz CWEZQKRSXMTGNM-VIFPVBQESA-N 1 2 267.289 -1.406 20 0 CAADLO COC(=O)[C@H]1C[N@H+](C)CCN1C(=O)Cn1cncn1 ZINC001142129376 775629497 /nfs/dbraw/zinc/62/94/97/775629497.db2.gz CWEZQKRSXMTGNM-SECBINFHSA-N 1 2 267.289 -1.406 20 0 CAADLO COC(=O)[C@H]1C[N@@H+](C)CCN1C(=O)Cn1cncn1 ZINC001142129376 775629505 /nfs/dbraw/zinc/62/95/05/775629505.db2.gz CWEZQKRSXMTGNM-SECBINFHSA-N 1 2 267.289 -1.406 20 0 CAADLO O=C(Cn1cnnn1)N[C@@H](CO)Cc1c[nH]c[nH+]1 ZINC001142140558 775632526 /nfs/dbraw/zinc/63/25/26/775632526.db2.gz LYSAYRNMWTVDIT-MRVPVSSYSA-N 1 2 251.250 -1.884 20 0 CAADLO O=C(Cn1cnnn1)N[C@@H](CO)Cc1c[nH+]c[nH]1 ZINC001142140558 775632530 /nfs/dbraw/zinc/63/25/30/775632530.db2.gz LYSAYRNMWTVDIT-MRVPVSSYSA-N 1 2 251.250 -1.884 20 0 CAADLO CN(CC[N@H+](C)CC(N)=O)C(=O)C1=COCCO1 ZINC001271958116 775632601 /nfs/dbraw/zinc/63/26/01/775632601.db2.gz PFQFXEXDHLXWHI-UHFFFAOYSA-N 1 2 257.290 -1.250 20 0 CAADLO CN(CC[N@@H+](C)CC(N)=O)C(=O)C1=COCCO1 ZINC001271958116 775632607 /nfs/dbraw/zinc/63/26/07/775632607.db2.gz PFQFXEXDHLXWHI-UHFFFAOYSA-N 1 2 257.290 -1.250 20 0 CAADLO CN(CC[N@H+](C)CC(N)=O)C(=O)CCc1nnc[nH]1 ZINC001271989111 775635510 /nfs/dbraw/zinc/63/55/10/775635510.db2.gz FQPPTQFHXBCASN-UHFFFAOYSA-N 1 2 268.321 -1.387 20 0 CAADLO CN(CC[N@@H+](C)CC(N)=O)C(=O)CCc1nnc[nH]1 ZINC001271989111 775635519 /nfs/dbraw/zinc/63/55/19/775635519.db2.gz FQPPTQFHXBCASN-UHFFFAOYSA-N 1 2 268.321 -1.387 20 0 CAADLO CCC(=O)N[C@H]1CC[N@H+](CC(=O)N2CCNC(=O)C2)[C@@H]1C ZINC001088435832 775636584 /nfs/dbraw/zinc/63/65/84/775636584.db2.gz QTRVLKWQYUADLR-MNOVXSKESA-N 1 2 296.371 -1.066 20 0 CAADLO CCC(=O)N[C@H]1CC[N@@H+](CC(=O)N2CCNC(=O)C2)[C@@H]1C ZINC001088435832 775636591 /nfs/dbraw/zinc/63/65/91/775636591.db2.gz QTRVLKWQYUADLR-MNOVXSKESA-N 1 2 296.371 -1.066 20 0 CAADLO CCNC(=O)CC(=O)N(C)CC[N@H+](C)CC(N)=O ZINC001271997859 775636615 /nfs/dbraw/zinc/63/66/15/775636615.db2.gz HBHDQUUIVNSOEM-UHFFFAOYSA-N 1 2 258.322 -1.612 20 0 CAADLO CCNC(=O)CC(=O)N(C)CC[N@@H+](C)CC(N)=O ZINC001271997859 775636622 /nfs/dbraw/zinc/63/66/22/775636622.db2.gz HBHDQUUIVNSOEM-UHFFFAOYSA-N 1 2 258.322 -1.612 20 0 CAADLO C[C@@H]1[C@@H](NC(=O)[C@@H]2COCCO2)CC[N@@H+]1CC(N)=O ZINC001088475205 775638385 /nfs/dbraw/zinc/63/83/85/775638385.db2.gz OGJRQOMAJWWJKH-UTLUCORTSA-N 1 2 271.317 -1.534 20 0 CAADLO C[C@@H]1[C@@H](NC(=O)[C@@H]2COCCO2)CC[N@H+]1CC(N)=O ZINC001088475205 775638394 /nfs/dbraw/zinc/63/83/94/775638394.db2.gz OGJRQOMAJWWJKH-UTLUCORTSA-N 1 2 271.317 -1.534 20 0 CAADLO Cn1cc(C(=O)NCC[NH2+]Cc2cnon2)nn1 ZINC001126654060 775642333 /nfs/dbraw/zinc/64/23/33/775642333.db2.gz JVUUPPBKLYHWJB-UHFFFAOYSA-N 1 2 251.250 -1.282 20 0 CAADLO C[C@@H](C(=O)N[C@H]1CC[N@H+](CC(N)=O)[C@@H]1C)n1cncn1 ZINC001088530665 775643770 /nfs/dbraw/zinc/64/37/70/775643770.db2.gz FYXYHMBSWJPEFX-UTLUCORTSA-N 1 2 280.332 -1.097 20 0 CAADLO C[C@@H](C(=O)N[C@H]1CC[N@@H+](CC(N)=O)[C@@H]1C)n1cncn1 ZINC001088530665 775643773 /nfs/dbraw/zinc/64/37/73/775643773.db2.gz FYXYHMBSWJPEFX-UTLUCORTSA-N 1 2 280.332 -1.097 20 0 CAADLO C[C@H](C(=O)N[C@H]1CC[N@H+](CC(N)=O)[C@@H]1C)n1cncn1 ZINC001088530664 775643937 /nfs/dbraw/zinc/64/39/37/775643937.db2.gz FYXYHMBSWJPEFX-BBBLOLIVSA-N 1 2 280.332 -1.097 20 0 CAADLO C[C@H](C(=O)N[C@H]1CC[N@@H+](CC(N)=O)[C@@H]1C)n1cncn1 ZINC001088530664 775643947 /nfs/dbraw/zinc/64/39/47/775643947.db2.gz FYXYHMBSWJPEFX-BBBLOLIVSA-N 1 2 280.332 -1.097 20 0 CAADLO CN(C)c1noc(C[NH2+]CCNC(=O)c2cn(C)nn2)n1 ZINC001126666686 775645630 /nfs/dbraw/zinc/64/56/30/775645630.db2.gz BSYVRKDHCJAYFO-UHFFFAOYSA-N 1 2 294.319 -1.216 20 0 CAADLO C[C@@H]1[C@@H](NC(=O)[C@H]2COC(=O)N2)CC[N@@H+]1CC(N)=O ZINC001088550323 775646719 /nfs/dbraw/zinc/64/67/19/775646719.db2.gz WOTUZOUEZBBSEU-GJMOJQLCSA-N 1 2 270.289 -1.841 20 0 CAADLO C[C@@H]1[C@@H](NC(=O)[C@H]2COC(=O)N2)CC[N@H+]1CC(N)=O ZINC001088550323 775646727 /nfs/dbraw/zinc/64/67/27/775646727.db2.gz WOTUZOUEZBBSEU-GJMOJQLCSA-N 1 2 270.289 -1.841 20 0 CAADLO C[C@@H]1[C@@H](NC(=O)[C@@H]2COC(=O)N2)CC[N@@H+]1CC(N)=O ZINC001088550322 775646864 /nfs/dbraw/zinc/64/68/64/775646864.db2.gz WOTUZOUEZBBSEU-CSMHCCOUSA-N 1 2 270.289 -1.841 20 0 CAADLO C[C@@H]1[C@@H](NC(=O)[C@@H]2COC(=O)N2)CC[N@H+]1CC(N)=O ZINC001088550322 775646869 /nfs/dbraw/zinc/64/68/69/775646869.db2.gz WOTUZOUEZBBSEU-CSMHCCOUSA-N 1 2 270.289 -1.841 20 0 CAADLO CN(C)c1noc(C[NH2+]CCNC(=O)c2ncn(C)n2)n1 ZINC001126678404 775648751 /nfs/dbraw/zinc/64/87/51/775648751.db2.gz ZECXAABZJGAMGA-UHFFFAOYSA-N 1 2 294.319 -1.216 20 0 CAADLO C[C@@H]1[C@@H](NC(=O)c2cn(C)nn2)CC[N@@H+]1CC(N)=O ZINC001088552200 775649199 /nfs/dbraw/zinc/64/91/99/775649199.db2.gz RQFDCLRUCYMYDR-SFYZADRCSA-N 1 2 266.305 -1.507 20 0 CAADLO C[C@@H]1[C@@H](NC(=O)c2cn(C)nn2)CC[N@H+]1CC(N)=O ZINC001088552200 775649204 /nfs/dbraw/zinc/64/92/04/775649204.db2.gz RQFDCLRUCYMYDR-SFYZADRCSA-N 1 2 266.305 -1.507 20 0 CAADLO CCn1ncc(C(=O)NCC[NH2+]Cc2nc(=O)n(C)[nH]2)n1 ZINC001126702401 775651510 /nfs/dbraw/zinc/65/15/10/775651510.db2.gz JFYGBEQVSGSVCZ-UHFFFAOYSA-N 1 2 294.319 -1.761 20 0 CAADLO C[N@@H+]1CCO[C@H](C(=O)N2CCc3onc(C(N)=O)c3C2)C1 ZINC001272059062 775652728 /nfs/dbraw/zinc/65/27/28/775652728.db2.gz FSYNODJLMHBRFC-JTQLQIEISA-N 1 2 294.311 -1.011 20 0 CAADLO C[N@H+]1CCO[C@H](C(=O)N2CCc3onc(C(N)=O)c3C2)C1 ZINC001272059062 775652730 /nfs/dbraw/zinc/65/27/30/775652730.db2.gz FSYNODJLMHBRFC-JTQLQIEISA-N 1 2 294.311 -1.011 20 0 CAADLO C[N@@H+]1CCO[C@H](C(=O)N2CC[C@H]3C[C@]32C(N)=O)C1 ZINC001272060846 775652742 /nfs/dbraw/zinc/65/27/42/775652742.db2.gz WCRJQYNIGSMYIT-HOTUBEGUSA-N 1 2 253.302 -1.207 20 0 CAADLO C[N@H+]1CCO[C@H](C(=O)N2CC[C@H]3C[C@]32C(N)=O)C1 ZINC001272060846 775652746 /nfs/dbraw/zinc/65/27/46/775652746.db2.gz WCRJQYNIGSMYIT-HOTUBEGUSA-N 1 2 253.302 -1.207 20 0 CAADLO C[N@@H+]1CCO[C@@H](C(=O)N2CCc3onc(C(N)=O)c3C2)C1 ZINC001272059063 775652842 /nfs/dbraw/zinc/65/28/42/775652842.db2.gz FSYNODJLMHBRFC-SNVBAGLBSA-N 1 2 294.311 -1.011 20 0 CAADLO C[N@H+]1CCO[C@@H](C(=O)N2CCc3onc(C(N)=O)c3C2)C1 ZINC001272059063 775652845 /nfs/dbraw/zinc/65/28/45/775652845.db2.gz FSYNODJLMHBRFC-SNVBAGLBSA-N 1 2 294.311 -1.011 20 0 CAADLO CCn1nncc1C(=O)N[C@H]1CC[N@H+](CC(N)=O)[C@@H]1C ZINC001088556161 775652875 /nfs/dbraw/zinc/65/28/75/775652875.db2.gz MLIYULKWSZFVIR-BDAKNGLRSA-N 1 2 280.332 -1.024 20 0 CAADLO CCn1nncc1C(=O)N[C@H]1CC[N@@H+](CC(N)=O)[C@@H]1C ZINC001088556161 775652880 /nfs/dbraw/zinc/65/28/80/775652880.db2.gz MLIYULKWSZFVIR-BDAKNGLRSA-N 1 2 280.332 -1.024 20 0 CAADLO C[N@@H+]1CCO[C@H](C(=O)NC23CC(C(N)=O)(C2)C3)C1 ZINC001272060349 775652904 /nfs/dbraw/zinc/65/29/04/775652904.db2.gz SMRRBQWIEISNSQ-RKWZHAFESA-N 1 2 253.302 -1.159 20 0 CAADLO C[N@H+]1CCO[C@H](C(=O)NC23CC(C(N)=O)(C2)C3)C1 ZINC001272060349 775652907 /nfs/dbraw/zinc/65/29/07/775652907.db2.gz SMRRBQWIEISNSQ-RKWZHAFESA-N 1 2 253.302 -1.159 20 0 CAADLO C[N@@H+]1CCO[C@@H](C(=O)N2CCc3c(n[nH]c3C(N)=O)C2)C1 ZINC001272061423 775654042 /nfs/dbraw/zinc/65/40/42/775654042.db2.gz ZZUVXLUQJGNBSO-SNVBAGLBSA-N 1 2 293.327 -1.276 20 0 CAADLO C[N@H+]1CCO[C@@H](C(=O)N2CCc3c(n[nH]c3C(N)=O)C2)C1 ZINC001272061423 775654046 /nfs/dbraw/zinc/65/40/46/775654046.db2.gz ZZUVXLUQJGNBSO-SNVBAGLBSA-N 1 2 293.327 -1.276 20 0 CAADLO Cc1nnc(CC(=O)N[C@H]2CC[N@H+](CC(N)=O)[C@@H]2C)[nH]1 ZINC001088558542 775655296 /nfs/dbraw/zinc/65/52/96/775655296.db2.gz ROQNCKXVBMIOEM-APPZFPTMSA-N 1 2 280.332 -1.280 20 0 CAADLO Cc1nnc(CC(=O)N[C@H]2CC[N@@H+](CC(N)=O)[C@@H]2C)[nH]1 ZINC001088558542 775655303 /nfs/dbraw/zinc/65/53/03/775655303.db2.gz ROQNCKXVBMIOEM-APPZFPTMSA-N 1 2 280.332 -1.280 20 0 CAADLO NC(=O)CC(=O)N1CC[C@H](n2cc(C[NH2+]CCF)nn2)C1 ZINC001098641654 775655438 /nfs/dbraw/zinc/65/54/38/775655438.db2.gz WBHQBQLTZKLNSV-JTQLQIEISA-N 1 2 298.322 -1.014 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)Cc2ccnn2C)[C@@H](O)C1 ZINC001083431943 775660588 /nfs/dbraw/zinc/66/05/88/775660588.db2.gz UKEBEPQKRCVPGO-IEBDPFPHSA-N 1 2 295.343 -2.002 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)Cc2ccnn2C)[C@@H](O)C1 ZINC001083431943 775660592 /nfs/dbraw/zinc/66/05/92/775660592.db2.gz UKEBEPQKRCVPGO-IEBDPFPHSA-N 1 2 295.343 -2.002 20 0 CAADLO CN(CC[N@H+](C)CC(N)=O)C(=O)c1c[nH]c(=O)n1C ZINC001272080372 775660599 /nfs/dbraw/zinc/66/05/99/775660599.db2.gz MAQCDBFLFSQVMO-UHFFFAOYSA-N 1 2 269.305 -1.385 20 0 CAADLO CN(CC[N@@H+](C)CC(N)=O)C(=O)c1c[nH]c(=O)n1C ZINC001272080372 775660600 /nfs/dbraw/zinc/66/06/00/775660600.db2.gz MAQCDBFLFSQVMO-UHFFFAOYSA-N 1 2 269.305 -1.385 20 0 CAADLO Cc1nc(N(C)C)nc(N[C@@H](C)CNC(=O)C(N)=O)[nH+]1 ZINC001098242507 775660618 /nfs/dbraw/zinc/66/06/18/775660618.db2.gz NMESXBAFXLVWBG-LURJTMIESA-N 1 2 281.320 -1.352 20 0 CAADLO CNC(=O)C[N@H+]1C[C@@H](NC(=O)Cc2ccnn2C)[C@@H](O)C1 ZINC001083432026 775660626 /nfs/dbraw/zinc/66/06/26/775660626.db2.gz YAXLTGFCCFGQBL-MNOVXSKESA-N 1 2 295.343 -2.130 20 0 CAADLO CNC(=O)C[N@@H+]1C[C@@H](NC(=O)Cc2ccnn2C)[C@@H](O)C1 ZINC001083432026 775660628 /nfs/dbraw/zinc/66/06/28/775660628.db2.gz YAXLTGFCCFGQBL-MNOVXSKESA-N 1 2 295.343 -2.130 20 0 CAADLO C[C@@H]1C[C@@H]([NH2+]Cc2nc(=O)n(C)[nH]2)CN1C(=O)CC(N)=O ZINC000988431243 775661458 /nfs/dbraw/zinc/66/14/58/775661458.db2.gz KFKSLDBCPGLEHD-HTQZYQBOSA-N 1 2 296.331 -1.937 20 0 CAADLO Cc1cc[nH]c1C(=O)N[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@@H]1O ZINC001083437055 775663863 /nfs/dbraw/zinc/66/38/63/775663863.db2.gz YHCIPGZXCFYWQD-VWYCJHECSA-N 1 2 292.339 -1.013 20 0 CAADLO Cc1cc[nH]c1C(=O)N[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@@H]1O ZINC001083437055 775663865 /nfs/dbraw/zinc/66/38/65/775663865.db2.gz YHCIPGZXCFYWQD-VWYCJHECSA-N 1 2 292.339 -1.013 20 0 CAADLO CC[C@@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)c2cn(C)nn2)[C@@H](O)C1 ZINC001083443373 775666088 /nfs/dbraw/zinc/66/60/88/775666088.db2.gz HJWRDPVJCULABE-JEZHCXPESA-N 1 2 296.331 -2.146 20 0 CAADLO CC[C@@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)c2cn(C)nn2)[C@@H](O)C1 ZINC001083443373 775666096 /nfs/dbraw/zinc/66/60/96/775666096.db2.gz HJWRDPVJCULABE-JEZHCXPESA-N 1 2 296.331 -2.146 20 0 CAADLO COCC(=O)N1CC[C@@](O)(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001040214019 775666897 /nfs/dbraw/zinc/66/68/97/775666897.db2.gz FNHZWPXJNLCBRK-CYBMUJFWSA-N 1 2 296.327 -1.391 20 0 CAADLO CNC(=O)C[N@@H+]1C[C@@H](NC(=O)CC(N)=O)[C@H](OC)C1 ZINC001212068893 775669820 /nfs/dbraw/zinc/66/98/20/775669820.db2.gz FYBONMYRJGKSSU-HTQZYQBOSA-N 1 2 272.305 -2.577 20 0 CAADLO CNC(=O)C[N@H+]1C[C@@H](NC(=O)CC(N)=O)[C@H](OC)C1 ZINC001212068893 775669821 /nfs/dbraw/zinc/66/98/21/775669821.db2.gz FYBONMYRJGKSSU-HTQZYQBOSA-N 1 2 272.305 -2.577 20 0 CAADLO CO[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1NC(=O)CC(N)=O ZINC001212068963 775670720 /nfs/dbraw/zinc/67/07/20/775670720.db2.gz IJDAGUYLIYXWKF-NXEZZACHSA-N 1 2 298.343 -2.091 20 0 CAADLO CO[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1NC(=O)CC(N)=O ZINC001212068963 775670728 /nfs/dbraw/zinc/67/07/28/775670728.db2.gz IJDAGUYLIYXWKF-NXEZZACHSA-N 1 2 298.343 -2.091 20 0 CAADLO CO[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]1NC(=O)CC(N)=O ZINC001212069434 775671223 /nfs/dbraw/zinc/67/12/23/775671223.db2.gz XYJMFPXUKLCINX-RKDXNWHRSA-N 1 2 286.332 -2.235 20 0 CAADLO CO[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1NC(=O)CC(N)=O ZINC001212069434 775671225 /nfs/dbraw/zinc/67/12/25/775671225.db2.gz XYJMFPXUKLCINX-RKDXNWHRSA-N 1 2 286.332 -2.235 20 0 CAADLO CN(CC[N@H+](C)CC(=O)NC(N)=O)C(=O)C(N)=O ZINC001272097746 775671547 /nfs/dbraw/zinc/67/15/47/775671547.db2.gz GKKMEBSILOUZQV-UHFFFAOYSA-N 1 2 259.266 -2.943 20 0 CAADLO CN(CC[N@@H+](C)CC(=O)NC(N)=O)C(=O)C(N)=O ZINC001272097746 775671552 /nfs/dbraw/zinc/67/15/52/775671552.db2.gz GKKMEBSILOUZQV-UHFFFAOYSA-N 1 2 259.266 -2.943 20 0 CAADLO O=C(N[C@@H]1C[N@H+]([C@H]2CCCNC2=O)C[C@@H]1O)c1ncc[nH]1 ZINC001083450122 775671578 /nfs/dbraw/zinc/67/15/78/775671578.db2.gz DMJOMRWCNQZZMA-UTLUCORTSA-N 1 2 293.327 -1.537 20 0 CAADLO O=C(N[C@@H]1C[N@@H+]([C@H]2CCCNC2=O)C[C@@H]1O)c1ncc[nH]1 ZINC001083450122 775671582 /nfs/dbraw/zinc/67/15/82/775671582.db2.gz DMJOMRWCNQZZMA-UTLUCORTSA-N 1 2 293.327 -1.537 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CC(N)=O)[C@H](OC)C1 ZINC001212073612 775671884 /nfs/dbraw/zinc/67/18/84/775671884.db2.gz IVBXLJDFLQBDIS-IWSPIJDZSA-N 1 2 286.332 -2.188 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)CC(N)=O)[C@H](OC)C1 ZINC001212073612 775671891 /nfs/dbraw/zinc/67/18/91/775671891.db2.gz IVBXLJDFLQBDIS-IWSPIJDZSA-N 1 2 286.332 -2.188 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)CC(N)=O)[C@H](OC)C1 ZINC001212073611 775671924 /nfs/dbraw/zinc/67/19/24/775671924.db2.gz IVBXLJDFLQBDIS-DJLDLDEBSA-N 1 2 286.332 -2.188 20 0 CAADLO CNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)CC(N)=O)[C@H](OC)C1 ZINC001212073611 775671930 /nfs/dbraw/zinc/67/19/30/775671930.db2.gz IVBXLJDFLQBDIS-DJLDLDEBSA-N 1 2 286.332 -2.188 20 0 CAADLO CN(C)C(=O)C[N@H+]1C[C@@H](NC(=O)[C@@H]2CC2(F)F)[C@@H](O)C1 ZINC001083448899 775672550 /nfs/dbraw/zinc/67/25/50/775672550.db2.gz XLCXGNDNOKXTHE-YIZRAAEISA-N 1 2 291.298 -1.109 20 0 CAADLO CN(C)C(=O)C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC2(F)F)[C@@H](O)C1 ZINC001083448899 775672552 /nfs/dbraw/zinc/67/25/52/775672552.db2.gz XLCXGNDNOKXTHE-YIZRAAEISA-N 1 2 291.298 -1.109 20 0 CAADLO Cc1nc(CC(=O)N[C@@H]2C[N@H+](C[C@@H](C)O)C[C@@H]2O)n[nH]1 ZINC001083452565 775674383 /nfs/dbraw/zinc/67/43/83/775674383.db2.gz PYULUQJOFXUFBV-QNSHHTMESA-N 1 2 283.332 -1.802 20 0 CAADLO Cc1nc(CC(=O)N[C@@H]2C[N@@H+](C[C@@H](C)O)C[C@@H]2O)n[nH]1 ZINC001083452565 775674389 /nfs/dbraw/zinc/67/43/89/775674389.db2.gz PYULUQJOFXUFBV-QNSHHTMESA-N 1 2 283.332 -1.802 20 0 CAADLO Cc1nc(CC(=O)N[C@@H]2C[N@H+](CCCO)C[C@@H]2O)n[nH]1 ZINC001083452570 775675213 /nfs/dbraw/zinc/67/52/13/775675213.db2.gz QEDWGQBVTPVQFW-ZJUUUORDSA-N 1 2 283.332 -1.801 20 0 CAADLO Cc1nc(CC(=O)N[C@@H]2C[N@@H+](CCCO)C[C@@H]2O)n[nH]1 ZINC001083452570 775675219 /nfs/dbraw/zinc/67/52/19/775675219.db2.gz QEDWGQBVTPVQFW-ZJUUUORDSA-N 1 2 283.332 -1.801 20 0 CAADLO CN1CC[C@@H]([N@H+]2C[C@@H](NC(=O)c3ncc[nH]3)[C@@H](O)C2)C1=O ZINC001083450651 775675251 /nfs/dbraw/zinc/67/52/51/775675251.db2.gz CYPRVWKGOWICOF-BBBLOLIVSA-N 1 2 293.327 -1.585 20 0 CAADLO CN1CC[C@@H]([N@@H+]2C[C@@H](NC(=O)c3ncc[nH]3)[C@@H](O)C2)C1=O ZINC001083450651 775675254 /nfs/dbraw/zinc/67/52/54/775675254.db2.gz CYPRVWKGOWICOF-BBBLOLIVSA-N 1 2 293.327 -1.585 20 0 CAADLO CN(CC[N@H+](C)CC(N)=O)C(=O)CC[C@@H]1NC(=O)NC1=O ZINC001272165277 775679789 /nfs/dbraw/zinc/67/97/89/775679789.db2.gz STIUMWPJLAMADN-QMMMGPOBSA-N 1 2 299.331 -2.150 20 0 CAADLO CN(CC[N@@H+](C)CC(N)=O)C(=O)CC[C@@H]1NC(=O)NC1=O ZINC001272165277 775679792 /nfs/dbraw/zinc/67/97/92/775679792.db2.gz STIUMWPJLAMADN-QMMMGPOBSA-N 1 2 299.331 -2.150 20 0 CAADLO CN(CC[N@H+](C)CC(N)=O)C(=O)CC[C@H]1NC(=O)NC1=O ZINC001272165276 775679857 /nfs/dbraw/zinc/67/98/57/775679857.db2.gz STIUMWPJLAMADN-MRVPVSSYSA-N 1 2 299.331 -2.150 20 0 CAADLO CN(CC[N@@H+](C)CC(N)=O)C(=O)CC[C@H]1NC(=O)NC1=O ZINC001272165276 775679864 /nfs/dbraw/zinc/67/98/64/775679864.db2.gz STIUMWPJLAMADN-MRVPVSSYSA-N 1 2 299.331 -2.150 20 0 CAADLO CN(CC[N@H+](C)CC(N)=O)C(=O)C[C@H]1CC(=O)NC1=O ZINC001272184689 775681228 /nfs/dbraw/zinc/68/12/28/775681228.db2.gz CSXSNVJGNNFKCH-MRVPVSSYSA-N 1 2 284.316 -2.085 20 0 CAADLO CN(CC[N@@H+](C)CC(N)=O)C(=O)C[C@H]1CC(=O)NC1=O ZINC001272184689 775681232 /nfs/dbraw/zinc/68/12/32/775681232.db2.gz CSXSNVJGNNFKCH-MRVPVSSYSA-N 1 2 284.316 -2.085 20 0 CAADLO C[C@@H]1[C@@H](NC(=O)[C@H]2CCCC(=O)N2)CC[N@@H+]1CC(N)=O ZINC001088647135 775681504 /nfs/dbraw/zinc/68/15/04/775681504.db2.gz ZGJSOPLDWCWTPS-KXUCPTDWSA-N 1 2 282.344 -1.281 20 0 CAADLO C[C@@H]1[C@@H](NC(=O)[C@H]2CCCC(=O)N2)CC[N@H+]1CC(N)=O ZINC001088647135 775681513 /nfs/dbraw/zinc/68/15/13/775681513.db2.gz ZGJSOPLDWCWTPS-KXUCPTDWSA-N 1 2 282.344 -1.281 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)Cn2ncnn2)[C@@H](O)C1 ZINC001083464179 775683453 /nfs/dbraw/zinc/68/34/53/775683453.db2.gz SJMABUIXRYAFAH-HLTSFMKQSA-N 1 2 297.319 -3.031 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)Cn2ncnn2)[C@@H](O)C1 ZINC001083464179 775683459 /nfs/dbraw/zinc/68/34/59/775683459.db2.gz SJMABUIXRYAFAH-HLTSFMKQSA-N 1 2 297.319 -3.031 20 0 CAADLO CCN1CCOC[C@H]1C(=O)N[C@H]1CC[N@H+](CC(N)=O)[C@@H]1C ZINC001088683512 775684293 /nfs/dbraw/zinc/68/42/93/775684293.db2.gz YFNUPDUXVBLHHK-WOPDTQHZSA-N 1 2 298.387 -1.229 20 0 CAADLO CCN1CCOC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC(N)=O)[C@@H]1C ZINC001088683512 775684298 /nfs/dbraw/zinc/68/42/98/775684298.db2.gz YFNUPDUXVBLHHK-WOPDTQHZSA-N 1 2 298.387 -1.229 20 0 CAADLO O=C(Cn1ncnn1)N[C@@H]1C[N@H+](C/C=C\Cl)C[C@@H]1O ZINC001083464669 775685704 /nfs/dbraw/zinc/68/57/04/775685704.db2.gz ROMZEQJBJUNFRC-ABKJGRNXSA-N 1 2 286.723 -1.413 20 0 CAADLO CS(=O)(=O)CCC(=O)N1CN[C@H]([NH3+])[C@@H]2NCN[C@@H]21 ZINC001142535777 775685369 /nfs/dbraw/zinc/68/53/69/775685369.db2.gz BFADAGMCFSTYCA-XHNCKOQMSA-N 1 2 277.350 -3.060 20 0 CAADLO O=C(Cn1ncnn1)N[C@@H]1C[N@@H+](C/C=C\Cl)C[C@@H]1O ZINC001083464669 775685700 /nfs/dbraw/zinc/68/57/00/775685700.db2.gz ROMZEQJBJUNFRC-ABKJGRNXSA-N 1 2 286.723 -1.413 20 0 CAADLO CS(=O)(=O)CCC(=O)N1CN[C@H]([NH3+])[C@@H]2NCN[C@H]21 ZINC001142535766 775685835 /nfs/dbraw/zinc/68/58/35/775685835.db2.gz BFADAGMCFSTYCA-CIUDSAMLSA-N 1 2 277.350 -3.060 20 0 CAADLO NC(=O)[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1C(N)=O ZINC001168318374 775687278 /nfs/dbraw/zinc/68/72/78/775687278.db2.gz HLSTUDSSKNDORL-YUMQZZPRSA-N 1 2 265.273 -2.003 20 0 CAADLO CO[C@@H]1C[N@H+](CCO)C[C@H]1NC(=O)CCc1nc[nH]n1 ZINC001212111813 775687345 /nfs/dbraw/zinc/68/73/45/775687345.db2.gz VOFBWTPGYVZKIR-NXEZZACHSA-N 1 2 283.332 -1.455 20 0 CAADLO CO[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)CCc1nc[nH]n1 ZINC001212111813 775687351 /nfs/dbraw/zinc/68/73/51/775687351.db2.gz VOFBWTPGYVZKIR-NXEZZACHSA-N 1 2 283.332 -1.455 20 0 CAADLO O=C(c1cn[nH]n1)N(CCO)CC[NH2+]Cc1cnon1 ZINC001272202567 775688807 /nfs/dbraw/zinc/68/88/07/775688807.db2.gz SKCFWVJLKFQCIC-UHFFFAOYSA-N 1 2 281.276 -1.588 20 0 CAADLO Cn1c[nH+]cc1[C@@H](CO)NC(=O)Cn1cncn1 ZINC001168349767 775690467 /nfs/dbraw/zinc/69/04/67/775690467.db2.gz OMLHKYAVCXMPIN-MRVPVSSYSA-N 1 2 250.262 -1.139 20 0 CAADLO Cn1c[nH+]cc1[C@H](CO)NC(=O)CN1CC(=O)N(C)C1=O ZINC001168351019 775691117 /nfs/dbraw/zinc/69/11/17/775691117.db2.gz ZGQBMRPJBUQLSI-QMMMGPOBSA-N 1 2 295.299 -1.536 20 0 CAADLO Cn1c[nH+]cc1[C@@H](CO)NC(=O)CCNC(N)=O ZINC001168351032 775691147 /nfs/dbraw/zinc/69/11/47/775691147.db2.gz ZPKBPVRENVXXJB-SSDOTTSWSA-N 1 2 255.278 -1.372 20 0 CAADLO Cn1c[nH+]cc1[C@H](CO)NC(=O)[C@H]1C[C@H]1C(N)=O ZINC001168349937 775691174 /nfs/dbraw/zinc/69/11/74/775691174.db2.gz QLDISYVGOZXRNW-CSMHCCOUSA-N 1 2 252.274 -1.309 20 0 CAADLO Cn1cnnc1C[NH+]1CCC(CNC(=O)C(N)=O)CC1 ZINC001224292439 775692205 /nfs/dbraw/zinc/69/22/05/775692205.db2.gz DMAVQVSHOLGUAG-UHFFFAOYSA-N 1 2 280.332 -1.371 20 0 CAADLO CNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)c3cn[nH]n3)[C@@H]2C1 ZINC001075981864 775695311 /nfs/dbraw/zinc/69/53/11/775695311.db2.gz TZMIAYVKAWKIPY-WCBMZHEXSA-N 1 2 278.316 -1.303 20 0 CAADLO CNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)c3cn[nH]n3)[C@@H]2C1 ZINC001075981864 775695324 /nfs/dbraw/zinc/69/53/24/775695324.db2.gz TZMIAYVKAWKIPY-WCBMZHEXSA-N 1 2 278.316 -1.303 20 0 CAADLO C[C@@H]1[C@@H](NC(=O)[C@]2(C)CNC(=O)C2)CC[N@@H+]1CC(N)=O ZINC001088765648 775696081 /nfs/dbraw/zinc/69/60/81/775696081.db2.gz LILJKPLSWGPEHZ-ZDMBXUJBSA-N 1 2 282.344 -1.423 20 0 CAADLO C[C@@H]1[C@@H](NC(=O)[C@]2(C)CNC(=O)C2)CC[N@H+]1CC(N)=O ZINC001088765648 775696085 /nfs/dbraw/zinc/69/60/85/775696085.db2.gz LILJKPLSWGPEHZ-ZDMBXUJBSA-N 1 2 282.344 -1.423 20 0 CAADLO CC1(C(=O)N[C@@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@@H]2O)CC1 ZINC001083480003 775698801 /nfs/dbraw/zinc/69/88/01/775698801.db2.gz OZABMFDPFDUEAM-BBBLOLIVSA-N 1 2 267.329 -1.164 20 0 CAADLO CC1(C(=O)N[C@@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@@H]2O)CC1 ZINC001083480003 775698807 /nfs/dbraw/zinc/69/88/07/775698807.db2.gz OZABMFDPFDUEAM-BBBLOLIVSA-N 1 2 267.329 -1.164 20 0 CAADLO CC1(C(=O)N[C@@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@@H]2O)CC1 ZINC001083480004 775699343 /nfs/dbraw/zinc/69/93/43/775699343.db2.gz OZABMFDPFDUEAM-UTLUCORTSA-N 1 2 267.329 -1.164 20 0 CAADLO CC1(C(=O)N[C@@H]2C[N@H+]([C@H]3CCNC3=O)C[C@@H]2O)CC1 ZINC001083480004 775699347 /nfs/dbraw/zinc/69/93/47/775699347.db2.gz OZABMFDPFDUEAM-UTLUCORTSA-N 1 2 267.329 -1.164 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)Cn2nccn2)[C@@H](O)C1 ZINC001083492267 775699915 /nfs/dbraw/zinc/69/99/15/775699915.db2.gz SCVOFKVGPRYWCN-HLTSFMKQSA-N 1 2 282.304 -2.687 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)Cn2nccn2)[C@@H](O)C1 ZINC001083492267 775699922 /nfs/dbraw/zinc/69/99/22/775699922.db2.gz SCVOFKVGPRYWCN-HLTSFMKQSA-N 1 2 282.304 -2.687 20 0 CAADLO C[C@H](O)C[N@H+]1C[C@@H](NC(=O)C2CS(=O)(=O)C2)[C@@H](O)C1 ZINC001083487386 775701214 /nfs/dbraw/zinc/70/12/14/775701214.db2.gz SNDMJYWSBUALEF-SFGNSQDASA-N 1 2 292.357 -2.427 20 0 CAADLO C[C@H](O)C[N@@H+]1C[C@@H](NC(=O)C2CS(=O)(=O)C2)[C@@H](O)C1 ZINC001083487386 775701218 /nfs/dbraw/zinc/70/12/18/775701218.db2.gz SNDMJYWSBUALEF-SFGNSQDASA-N 1 2 292.357 -2.427 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)Cn2nccn2)[C@@H](O)C1 ZINC001083492268 775701678 /nfs/dbraw/zinc/70/16/78/775701678.db2.gz SCVOFKVGPRYWCN-YIZRAAEISA-N 1 2 282.304 -2.687 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)Cn2nccn2)[C@@H](O)C1 ZINC001083492268 775701684 /nfs/dbraw/zinc/70/16/84/775701684.db2.gz SCVOFKVGPRYWCN-YIZRAAEISA-N 1 2 282.304 -2.687 20 0 CAADLO C[C@@H]1[C@@H](NC(=O)c2nnn(C)n2)CC[N@@H+]1CC(N)=O ZINC001088800521 775702615 /nfs/dbraw/zinc/70/26/15/775702615.db2.gz GWMHMKQWPXZMNK-RQJHMYQMSA-N 1 2 267.293 -2.112 20 0 CAADLO C[C@@H]1[C@@H](NC(=O)c2nnn(C)n2)CC[N@H+]1CC(N)=O ZINC001088800521 775702621 /nfs/dbraw/zinc/70/26/21/775702621.db2.gz GWMHMKQWPXZMNK-RQJHMYQMSA-N 1 2 267.293 -2.112 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2nnn(C)n2)[C@H]1C ZINC001088800608 775702736 /nfs/dbraw/zinc/70/27/36/775702736.db2.gz KHHORNMCQPCIQM-SFYZADRCSA-N 1 2 281.320 -1.851 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)c2nnn(C)n2)[C@H]1C ZINC001088800608 775702737 /nfs/dbraw/zinc/70/27/37/775702737.db2.gz KHHORNMCQPCIQM-SFYZADRCSA-N 1 2 281.320 -1.851 20 0 CAADLO CN1C[C@@H](C(=O)N[C@@H]2C[N@@H+](CCF)C[C@@H]2O)CC1=O ZINC001083502338 775705801 /nfs/dbraw/zinc/70/58/01/775705801.db2.gz CNWBLHWWIHFNKT-AEJSXWLSSA-N 1 2 273.308 -1.405 20 0 CAADLO CCN1C[C@H](C(=O)N[C@@H]2C[N@H+](CCF)C[C@@H]2O)CC1=O ZINC001083503434 775705639 /nfs/dbraw/zinc/70/56/39/775705639.db2.gz RJLJAXNMRARMHK-MXWKQRLJSA-N 1 2 287.335 -1.014 20 0 CAADLO CCN1C[C@H](C(=O)N[C@@H]2C[N@@H+](CCF)C[C@@H]2O)CC1=O ZINC001083503434 775705650 /nfs/dbraw/zinc/70/56/50/775705650.db2.gz RJLJAXNMRARMHK-MXWKQRLJSA-N 1 2 287.335 -1.014 20 0 CAADLO CN1C[C@@H](C(=O)N[C@@H]2C[N@H+](CCF)C[C@@H]2O)CC1=O ZINC001083502338 775705796 /nfs/dbraw/zinc/70/57/96/775705796.db2.gz CNWBLHWWIHFNKT-AEJSXWLSSA-N 1 2 273.308 -1.405 20 0 CAADLO CCCn1nnnc1C[NH2+]CCN(CCO)C(=O)C(N)=O ZINC001272243034 775711563 /nfs/dbraw/zinc/71/15/63/775711563.db2.gz PMQQQKGFZAPGPD-UHFFFAOYSA-N 1 2 299.335 -2.521 20 0 CAADLO C[C@@H]1[C@@H](NC(=O)[C@H]2CNC(=O)N2)CC[N@@H+]1CC(N)=O ZINC001088828538 775713471 /nfs/dbraw/zinc/71/34/71/775713471.db2.gz MMBNGRRMNYVRLW-GJMOJQLCSA-N 1 2 269.305 -2.268 20 0 CAADLO C[C@@H]1[C@@H](NC(=O)[C@H]2CNC(=O)N2)CC[N@H+]1CC(N)=O ZINC001088828538 775713476 /nfs/dbraw/zinc/71/34/76/775713476.db2.gz MMBNGRRMNYVRLW-GJMOJQLCSA-N 1 2 269.305 -2.268 20 0 CAADLO Cc1nnc(CC(=O)NCC[NH2+]Cc2nc(=O)n(C)[nH]2)[nH]1 ZINC001126912084 775714485 /nfs/dbraw/zinc/71/44/85/775714485.db2.gz BYXOEXWNRPCMRQ-UHFFFAOYSA-N 1 2 294.319 -2.017 20 0 CAADLO C[C@@H]1[C@@H](NC(=O)C(N)=O)CC[N@@H+]1Cc1cncn1C ZINC001088830963 775716958 /nfs/dbraw/zinc/71/69/58/775716958.db2.gz NSNLMJZPAKBOGY-SCZZXKLOSA-N 1 2 265.317 -1.016 20 0 CAADLO C[C@@H]1[C@@H](NC(=O)C(N)=O)CC[N@H+]1Cc1cncn1C ZINC001088830963 775716962 /nfs/dbraw/zinc/71/69/62/775716962.db2.gz NSNLMJZPAKBOGY-SCZZXKLOSA-N 1 2 265.317 -1.016 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1C[C@@H]2CCN(C(=O)c3nnn(C)n3)[C@@H]2C1 ZINC001076138460 775720511 /nfs/dbraw/zinc/72/05/11/775720511.db2.gz ZVNXSEPLRIRDCE-XHNCKOQMSA-N 1 2 293.331 -1.770 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1C[C@@H]2CCN(C(=O)c3nnn(C)n3)[C@@H]2C1 ZINC001076138460 775720514 /nfs/dbraw/zinc/72/05/14/775720514.db2.gz ZVNXSEPLRIRDCE-XHNCKOQMSA-N 1 2 293.331 -1.770 20 0 CAADLO Cn1nccc1C[N@@H+]1C[C@@H]2CCN(C(=O)C(N)=O)[C@@H]2C1 ZINC001076198673 775721767 /nfs/dbraw/zinc/72/17/67/775721767.db2.gz IDTLBAJGIAEEHX-GXSJLCMTSA-N 1 2 277.328 -1.062 20 0 CAADLO Cn1nccc1C[N@H+]1C[C@@H]2CCN(C(=O)C(N)=O)[C@@H]2C1 ZINC001076198673 775721779 /nfs/dbraw/zinc/72/17/79/775721779.db2.gz IDTLBAJGIAEEHX-GXSJLCMTSA-N 1 2 277.328 -1.062 20 0 CAADLO CCn1nncc1C[N@@H+]1C[C@@H]2CCN(C(=O)C(N)=O)[C@@H]2C1 ZINC001076198809 775722737 /nfs/dbraw/zinc/72/27/37/775722737.db2.gz NIXIJOHYPDHVQH-GXSJLCMTSA-N 1 2 292.343 -1.184 20 0 CAADLO CCn1nncc1C[N@H+]1C[C@@H]2CCN(C(=O)C(N)=O)[C@@H]2C1 ZINC001076198809 775722745 /nfs/dbraw/zinc/72/27/45/775722745.db2.gz NIXIJOHYPDHVQH-GXSJLCMTSA-N 1 2 292.343 -1.184 20 0 CAADLO NC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)CCc3cn[nH]n3)[C@@H]2C1 ZINC001076261488 775723978 /nfs/dbraw/zinc/72/39/78/775723978.db2.gz LRYAVCYVELYTFG-GXSJLCMTSA-N 1 2 292.343 -1.245 20 0 CAADLO NC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)CCc3cn[nH]n3)[C@@H]2C1 ZINC001076261488 775723985 /nfs/dbraw/zinc/72/39/85/775723985.db2.gz LRYAVCYVELYTFG-GXSJLCMTSA-N 1 2 292.343 -1.245 20 0 CAADLO NC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)CCc3c[nH]nn3)[C@@H]2C1 ZINC001076261488 775723989 /nfs/dbraw/zinc/72/39/89/775723989.db2.gz LRYAVCYVELYTFG-GXSJLCMTSA-N 1 2 292.343 -1.245 20 0 CAADLO NC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)CCc3c[nH]nn3)[C@@H]2C1 ZINC001076261488 775723997 /nfs/dbraw/zinc/72/39/97/775723997.db2.gz LRYAVCYVELYTFG-GXSJLCMTSA-N 1 2 292.343 -1.245 20 0 CAADLO Cc1nnc(CC(=O)NCC[NH2+]Cc2cnon2)[nH]1 ZINC001126921419 775724490 /nfs/dbraw/zinc/72/44/90/775724490.db2.gz NZVIDNZZFMMLET-UHFFFAOYSA-N 1 2 265.277 -1.055 20 0 CAADLO O=C(N[C@@H]1C[N@@H+](CCF)C[C@@H]1O)[C@H]1CCCNC1=O ZINC001083544805 775724642 /nfs/dbraw/zinc/72/46/42/775724642.db2.gz OXKQWAZYQFGTJN-AEJSXWLSSA-N 1 2 273.308 -1.357 20 0 CAADLO O=C(N[C@@H]1C[N@H+](CCF)C[C@@H]1O)[C@H]1CCCNC1=O ZINC001083544805 775724647 /nfs/dbraw/zinc/72/46/47/775724647.db2.gz OXKQWAZYQFGTJN-AEJSXWLSSA-N 1 2 273.308 -1.357 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)Cc2cncs2)[C@@H](O)C1 ZINC001083545995 775726641 /nfs/dbraw/zinc/72/66/41/775726641.db2.gz QRJABSHQABZOQF-SFGNSQDASA-N 1 2 298.368 -1.279 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)Cc2cncs2)[C@@H](O)C1 ZINC001083545995 775726649 /nfs/dbraw/zinc/72/66/49/775726649.db2.gz QRJABSHQABZOQF-SFGNSQDASA-N 1 2 298.368 -1.279 20 0 CAADLO Cc1ccc(C(=O)NCC[NH2+]Cc2nc(=O)n(C)[nH]2)nn1 ZINC001126926490 775726807 /nfs/dbraw/zinc/72/68/07/775726807.db2.gz NJQPSYMRJSSNIP-UHFFFAOYSA-N 1 2 291.315 -1.274 20 0 CAADLO CNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)c3cnon3)[C@@H]2C1 ZINC001076376417 775728274 /nfs/dbraw/zinc/72/82/74/775728274.db2.gz CAPAFJDHMSZQGF-WCBMZHEXSA-N 1 2 279.300 -1.038 20 0 CAADLO CNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)c3cnon3)[C@@H]2C1 ZINC001076376417 775728279 /nfs/dbraw/zinc/72/82/79/775728279.db2.gz CAPAFJDHMSZQGF-WCBMZHEXSA-N 1 2 279.300 -1.038 20 0 CAADLO O=C(N[C@@H]1C[N@@H+](CCF)C[C@@H]1O)c1cn[nH]c(=O)c1 ZINC001083546934 775729026 /nfs/dbraw/zinc/72/90/26/775729026.db2.gz MMQNUAYRBLNVGD-BDAKNGLRSA-N 1 2 270.264 -1.073 20 0 CAADLO O=C(N[C@@H]1C[N@H+](CCF)C[C@@H]1O)c1cn[nH]c(=O)c1 ZINC001083546934 775729035 /nfs/dbraw/zinc/72/90/35/775729035.db2.gz MMQNUAYRBLNVGD-BDAKNGLRSA-N 1 2 270.264 -1.073 20 0 CAADLO Cc1[nH]c(=O)[nH]c1C(=O)N[C@@H]1C[N@H+]([C@@H](C)C(N)=O)C[C@@H]1O ZINC001083548059 775729192 /nfs/dbraw/zinc/72/91/92/775729192.db2.gz RBVSFXOLOLJJPR-RNJXMRFFSA-N 1 2 297.315 -1.928 20 0 CAADLO Cc1[nH]c(=O)[nH]c1C(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(N)=O)C[C@@H]1O ZINC001083548059 775729199 /nfs/dbraw/zinc/72/91/99/775729199.db2.gz RBVSFXOLOLJJPR-RNJXMRFFSA-N 1 2 297.315 -1.928 20 0 CAADLO CC(=O)N[C@@H]1C[N@H+](CCN2CCCS2(=O)=O)C[C@H]1O ZINC001076655697 775733753 /nfs/dbraw/zinc/73/37/53/775733753.db2.gz ONOALHGKLAXMIN-GHMZBOCLSA-N 1 2 291.373 -1.797 20 0 CAADLO CC(=O)N[C@@H]1C[N@@H+](CCN2CCCS2(=O)=O)C[C@H]1O ZINC001076655697 775733756 /nfs/dbraw/zinc/73/37/56/775733756.db2.gz ONOALHGKLAXMIN-GHMZBOCLSA-N 1 2 291.373 -1.797 20 0 CAADLO CC(=O)N[C@@H]1C[N@H+](CC[C@@H]2CCS(=O)(=O)C2)C[C@H]1O ZINC001076655063 775734016 /nfs/dbraw/zinc/73/40/16/775734016.db2.gz CXNHLTCNIHISFR-IJLUTSLNSA-N 1 2 290.385 -1.008 20 0 CAADLO CC(=O)N[C@@H]1C[N@@H+](CC[C@@H]2CCS(=O)(=O)C2)C[C@H]1O ZINC001076655063 775734023 /nfs/dbraw/zinc/73/40/23/775734023.db2.gz CXNHLTCNIHISFR-IJLUTSLNSA-N 1 2 290.385 -1.008 20 0 CAADLO CC(=O)N[C@@H]1C[N@H+](CC2CCS(=O)(=O)CC2)C[C@H]1O ZINC001076656046 775734172 /nfs/dbraw/zinc/73/41/72/775734172.db2.gz XFSDFRLCSIRHHS-VXGBXAGGSA-N 1 2 290.385 -1.008 20 0 CAADLO CC(=O)N[C@@H]1C[N@@H+](CC2CCS(=O)(=O)CC2)C[C@H]1O ZINC001076656046 775734177 /nfs/dbraw/zinc/73/41/77/775734177.db2.gz XFSDFRLCSIRHHS-VXGBXAGGSA-N 1 2 290.385 -1.008 20 0 CAADLO CC(=O)N[C@@H]1C[N@H+](CC(=O)N(C)C2CC2)C[C@H]1O ZINC001076650327 775735491 /nfs/dbraw/zinc/73/54/91/775735491.db2.gz ZYIWZSOVAZNICN-GHMZBOCLSA-N 1 2 255.318 -1.212 20 0 CAADLO CC(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)C2CC2)C[C@H]1O ZINC001076650327 775735497 /nfs/dbraw/zinc/73/54/97/775735497.db2.gz ZYIWZSOVAZNICN-GHMZBOCLSA-N 1 2 255.318 -1.212 20 0 CAADLO CC(=O)N[C@@H]1C[N@H+](C[C@H]2CCCS(=O)(=O)C2)C[C@H]1O ZINC001076656780 775735585 /nfs/dbraw/zinc/73/55/85/775735585.db2.gz HNRKWUOPBXHCOP-IJLUTSLNSA-N 1 2 290.385 -1.008 20 0 CAADLO CC(=O)N[C@@H]1C[N@@H+](C[C@H]2CCCS(=O)(=O)C2)C[C@H]1O ZINC001076656780 775735592 /nfs/dbraw/zinc/73/55/92/775735592.db2.gz HNRKWUOPBXHCOP-IJLUTSLNSA-N 1 2 290.385 -1.008 20 0 CAADLO CCC(=O)N[C@@H]1C[N@H+](CC(=O)NC2CC2)C[C@H]1O ZINC001076653432 775735801 /nfs/dbraw/zinc/73/58/01/775735801.db2.gz MXAQHQOVHOQHTO-NXEZZACHSA-N 1 2 255.318 -1.164 20 0 CAADLO CCC(=O)N[C@@H]1C[N@@H+](CC(=O)NC2CC2)C[C@H]1O ZINC001076653432 775735808 /nfs/dbraw/zinc/73/58/08/775735808.db2.gz MXAQHQOVHOQHTO-NXEZZACHSA-N 1 2 255.318 -1.164 20 0 CAADLO O=C(N[C@@H]1C[N@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1O)C1CC1 ZINC001076663523 775735843 /nfs/dbraw/zinc/73/58/43/775735843.db2.gz MKLLPIKAEMXFPH-KXUCPTDWSA-N 1 2 281.312 -1.637 20 0 CAADLO O=C(N[C@@H]1C[N@@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1O)C1CC1 ZINC001076663523 775735851 /nfs/dbraw/zinc/73/58/51/775735851.db2.gz MKLLPIKAEMXFPH-KXUCPTDWSA-N 1 2 281.312 -1.637 20 0 CAADLO CC(=O)N[C@@H]1C[N@H+](C[C@@H]2CCCS(=O)(=O)C2)C[C@H]1O ZINC001076656781 775736044 /nfs/dbraw/zinc/73/60/44/775736044.db2.gz HNRKWUOPBXHCOP-QJPTWQEYSA-N 1 2 290.385 -1.008 20 0 CAADLO CC(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCCS(=O)(=O)C2)C[C@H]1O ZINC001076656781 775736046 /nfs/dbraw/zinc/73/60/46/775736046.db2.gz HNRKWUOPBXHCOP-QJPTWQEYSA-N 1 2 290.385 -1.008 20 0 CAADLO CCC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1O ZINC001076652398 775736152 /nfs/dbraw/zinc/73/61/52/775736152.db2.gz SFESFQUQNGTDHM-NXEZZACHSA-N 1 2 255.318 -1.210 20 0 CAADLO CCC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1O ZINC001076652398 775736161 /nfs/dbraw/zinc/73/61/61/775736161.db2.gz SFESFQUQNGTDHM-NXEZZACHSA-N 1 2 255.318 -1.210 20 0 CAADLO O=C(C[N@H+]1C[C@@H](O)[C@H](NC(=O)C2CC2)C1)N1CCC1 ZINC001076663796 775736181 /nfs/dbraw/zinc/73/61/81/775736181.db2.gz VKSOVTDFCSSZNA-GHMZBOCLSA-N 1 2 267.329 -1.210 20 0 CAADLO O=C(C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2CC2)C1)N1CCC1 ZINC001076663796 775736192 /nfs/dbraw/zinc/73/61/92/775736192.db2.gz VKSOVTDFCSSZNA-GHMZBOCLSA-N 1 2 267.329 -1.210 20 0 CAADLO CCC(=O)N[C@@H]1C[N@H+](C[C@@H]2CCS(=O)(=O)C2)C[C@H]1O ZINC001076653530 775736370 /nfs/dbraw/zinc/73/63/70/775736370.db2.gz QXAMTFYXVUWGOZ-HBNTYKKESA-N 1 2 290.385 -1.008 20 0 CAADLO CCC(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCS(=O)(=O)C2)C[C@H]1O ZINC001076653530 775736373 /nfs/dbraw/zinc/73/63/73/775736373.db2.gz QXAMTFYXVUWGOZ-HBNTYKKESA-N 1 2 290.385 -1.008 20 0 CAADLO CC(=O)N[C@@H]1C[N@H+](C[C@@H]2CCS(=O)(=O)C2)C[C@H]1O ZINC001076657003 775736574 /nfs/dbraw/zinc/73/65/74/775736574.db2.gz ROKQAMVNTWNPMP-HBNTYKKESA-N 1 2 276.358 -1.398 20 0 CAADLO CC(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCS(=O)(=O)C2)C[C@H]1O ZINC001076657003 775736581 /nfs/dbraw/zinc/73/65/81/775736581.db2.gz ROKQAMVNTWNPMP-HBNTYKKESA-N 1 2 276.358 -1.398 20 0 CAADLO CC(=O)N[C@@H]1C[N@H+](C[C@H]2CCS(=O)(=O)C2)C[C@H]1O ZINC001076657002 775736627 /nfs/dbraw/zinc/73/66/27/775736627.db2.gz ROKQAMVNTWNPMP-GMTAPVOTSA-N 1 2 276.358 -1.398 20 0 CAADLO CC(=O)N[C@@H]1C[N@@H+](C[C@H]2CCS(=O)(=O)C2)C[C@H]1O ZINC001076657002 775736633 /nfs/dbraw/zinc/73/66/33/775736633.db2.gz ROKQAMVNTWNPMP-GMTAPVOTSA-N 1 2 276.358 -1.398 20 0 CAADLO O=C(N[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@H]1O)C1CC1 ZINC001076663266 775737030 /nfs/dbraw/zinc/73/70/30/775737030.db2.gz DXUGWSAIXHIJDF-KXUCPTDWSA-N 1 2 253.302 -1.554 20 0 CAADLO O=C(N[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@H]1O)C1CC1 ZINC001076663266 775737032 /nfs/dbraw/zinc/73/70/32/775737032.db2.gz DXUGWSAIXHIJDF-KXUCPTDWSA-N 1 2 253.302 -1.554 20 0 CAADLO O=C(C[N@H+]1C[C@@H](O)[C@H](NC(=O)C2CC2)C1)N1CCOCC1 ZINC001076663265 775737085 /nfs/dbraw/zinc/73/70/85/775737085.db2.gz DXJOBDBPHPJFEJ-VXGBXAGGSA-N 1 2 297.355 -1.584 20 0 CAADLO O=C(C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2CC2)C1)N1CCOCC1 ZINC001076663265 775737090 /nfs/dbraw/zinc/73/70/90/775737090.db2.gz DXJOBDBPHPJFEJ-VXGBXAGGSA-N 1 2 297.355 -1.584 20 0 CAADLO CN1CC[C@H](CC(=O)N[C@@H]2C[N@H+](CCF)C[C@@H]2O)C1=O ZINC001083551938 775738221 /nfs/dbraw/zinc/73/82/21/775738221.db2.gz KAYSBEPVDNBGME-MXWKQRLJSA-N 1 2 287.335 -1.014 20 0 CAADLO CN1CC[C@H](CC(=O)N[C@@H]2C[N@@H+](CCF)C[C@@H]2O)C1=O ZINC001083551938 775738231 /nfs/dbraw/zinc/73/82/31/775738231.db2.gz KAYSBEPVDNBGME-MXWKQRLJSA-N 1 2 287.335 -1.014 20 0 CAADLO CN1CC[C@@H](CC(=O)N[C@@H]2C[N@H+](CCF)C[C@@H]2O)C1=O ZINC001083551937 775738533 /nfs/dbraw/zinc/73/85/33/775738533.db2.gz KAYSBEPVDNBGME-AXFHLTTASA-N 1 2 287.335 -1.014 20 0 CAADLO CN1CC[C@@H](CC(=O)N[C@@H]2C[N@@H+](CCF)C[C@@H]2O)C1=O ZINC001083551937 775738542 /nfs/dbraw/zinc/73/85/42/775738542.db2.gz KAYSBEPVDNBGME-AXFHLTTASA-N 1 2 287.335 -1.014 20 0 CAADLO O=C(N[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@H]1O)C1CCOCC1 ZINC001076675157 775738948 /nfs/dbraw/zinc/73/89/48/775738948.db2.gz NXASFDBLVSWCDE-IJLUTSLNSA-N 1 2 297.355 -1.537 20 0 CAADLO O=C(N[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@H]1O)C1CCOCC1 ZINC001076675157 775738951 /nfs/dbraw/zinc/73/89/51/775738951.db2.gz NXASFDBLVSWCDE-IJLUTSLNSA-N 1 2 297.355 -1.537 20 0 CAADLO O=C(N[C@@H]1C[N@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1O)C1CCC1 ZINC001076665626 775739258 /nfs/dbraw/zinc/73/92/58/775739258.db2.gz XHIDWJNREBZTFZ-GMTAPVOTSA-N 1 2 295.339 -1.247 20 0 CAADLO O=C(N[C@@H]1C[N@@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1O)C1CCC1 ZINC001076665626 775739266 /nfs/dbraw/zinc/73/92/66/775739266.db2.gz XHIDWJNREBZTFZ-GMTAPVOTSA-N 1 2 295.339 -1.247 20 0 CAADLO O=C(N[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1O)C(F)F ZINC001076659939 775739383 /nfs/dbraw/zinc/73/93/83/775739383.db2.gz QGZOUMMQYVPBQB-HTQZYQBOSA-N 1 2 275.259 -1.296 20 0 CAADLO O=C(N[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1O)C(F)F ZINC001076659939 775739391 /nfs/dbraw/zinc/73/93/91/775739391.db2.gz QGZOUMMQYVPBQB-HTQZYQBOSA-N 1 2 275.259 -1.296 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cccnc2)C1 ZINC001076685449 775740054 /nfs/dbraw/zinc/74/00/54/775740054.db2.gz GKKASEGYEPFAEL-MVWJERBFSA-N 1 2 292.339 -1.009 20 0 CAADLO CNC(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cccnc2)C1 ZINC001076685449 775740059 /nfs/dbraw/zinc/74/00/59/775740059.db2.gz GKKASEGYEPFAEL-MVWJERBFSA-N 1 2 292.339 -1.009 20 0 CAADLO O=C(CC1CC1)N[C@@H]1C[N@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1O ZINC001076671946 775740611 /nfs/dbraw/zinc/74/06/11/775740611.db2.gz CJTDNVWBFBPFEZ-GMTAPVOTSA-N 1 2 295.339 -1.247 20 0 CAADLO O=C(CC1CC1)N[C@@H]1C[N@@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1O ZINC001076671946 775740617 /nfs/dbraw/zinc/74/06/17/775740617.db2.gz CJTDNVWBFBPFEZ-GMTAPVOTSA-N 1 2 295.339 -1.247 20 0 CAADLO CC[C@@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn(C)c2)C1 ZINC001076727719 775744541 /nfs/dbraw/zinc/74/45/41/775744541.db2.gz WYXONJRMXCXPFX-OUAUKWLOSA-N 1 2 295.343 -1.541 20 0 CAADLO CC[C@@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn(C)c2)C1 ZINC001076727719 775744549 /nfs/dbraw/zinc/74/45/49/775744549.db2.gz WYXONJRMXCXPFX-OUAUKWLOSA-N 1 2 295.343 -1.541 20 0 CAADLO O=C(Cn1cnnn1)N[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@H]1O ZINC001076723852 775744891 /nfs/dbraw/zinc/74/48/91/775744891.db2.gz BQRNABQVKNGIOA-HRDYMLBCSA-N 1 2 295.303 -3.277 20 0 CAADLO O=C(Cn1cnnn1)N[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@H]1O ZINC001076723852 775744899 /nfs/dbraw/zinc/74/48/99/775744899.db2.gz BQRNABQVKNGIOA-HRDYMLBCSA-N 1 2 295.303 -3.277 20 0 CAADLO O=C(Cn1cnnn1)N[C@@H]1C[N@@H+](C/C=C\Cl)C[C@H]1O ZINC001076723390 775745218 /nfs/dbraw/zinc/74/52/18/775745218.db2.gz YXSAKAKRKJDTAC-WDESOFOKSA-N 1 2 286.723 -1.413 20 0 CAADLO O=C(Cn1cnnn1)N[C@@H]1C[N@H+](C/C=C\Cl)C[C@H]1O ZINC001076723390 775745220 /nfs/dbraw/zinc/74/52/20/775745220.db2.gz YXSAKAKRKJDTAC-WDESOFOKSA-N 1 2 286.723 -1.413 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cnnn2)C1 ZINC001076723322 775745280 /nfs/dbraw/zinc/74/52/80/775745280.db2.gz WEHRBXIIJKRPQA-BWZBUEFSSA-N 1 2 283.292 -3.292 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cnnn2)C1 ZINC001076723322 775745283 /nfs/dbraw/zinc/74/52/83/775745283.db2.gz WEHRBXIIJKRPQA-BWZBUEFSSA-N 1 2 283.292 -3.292 20 0 CAADLO O=C(Cn1cnnn1)N[C@@H]1C[N@@H+](C/C=C/Cl)C[C@H]1O ZINC001076723389 775745358 /nfs/dbraw/zinc/74/53/58/775745358.db2.gz YXSAKAKRKJDTAC-NPIHWTNLSA-N 1 2 286.723 -1.413 20 0 CAADLO O=C(Cn1cnnn1)N[C@@H]1C[N@H+](C/C=C/Cl)C[C@H]1O ZINC001076723389 775745361 /nfs/dbraw/zinc/74/53/61/775745361.db2.gz YXSAKAKRKJDTAC-NPIHWTNLSA-N 1 2 286.723 -1.413 20 0 CAADLO CN(C)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cccn2)C1 ZINC001076741432 775746578 /nfs/dbraw/zinc/74/65/78/775746578.db2.gz GJHZBFPPKRNILY-GHMZBOCLSA-N 1 2 295.343 -1.867 20 0 CAADLO CN(C)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cccn2)C1 ZINC001076741432 775746585 /nfs/dbraw/zinc/74/65/85/775746585.db2.gz GJHZBFPPKRNILY-GHMZBOCLSA-N 1 2 295.343 -1.867 20 0 CAADLO C[C@@H](C(=O)N(C)C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccn[nH]2)C1 ZINC001076762024 775748827 /nfs/dbraw/zinc/74/88/27/775748827.db2.gz LAUYILAEEDQASJ-JMJZKYOTSA-N 1 2 295.343 -1.339 20 0 CAADLO C[C@@H](C(=O)N(C)C)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccn[nH]2)C1 ZINC001076762024 775748838 /nfs/dbraw/zinc/74/88/38/775748838.db2.gz LAUYILAEEDQASJ-JMJZKYOTSA-N 1 2 295.343 -1.339 20 0 CAADLO CC[C@@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccn[nH]2)C1 ZINC001076761870 775749050 /nfs/dbraw/zinc/74/90/50/775749050.db2.gz FYVMEARJWPVYII-KXUCPTDWSA-N 1 2 281.316 -1.552 20 0 CAADLO CC[C@@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccn[nH]2)C1 ZINC001076761870 775749058 /nfs/dbraw/zinc/74/90/58/775749058.db2.gz FYVMEARJWPVYII-KXUCPTDWSA-N 1 2 281.316 -1.552 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccn[nH]2)C1 ZINC001076765557 775749070 /nfs/dbraw/zinc/74/90/70/775749070.db2.gz IAHOTZACNRGUEC-SZEHBUNVSA-N 1 2 281.316 -1.681 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccn[nH]2)C1 ZINC001076765557 775749080 /nfs/dbraw/zinc/74/90/80/775749080.db2.gz IAHOTZACNRGUEC-SZEHBUNVSA-N 1 2 281.316 -1.681 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(C)C)C1 ZINC001076753300 775749524 /nfs/dbraw/zinc/74/95/24/775749524.db2.gz HZRBYDIKPIQOGE-OPRDCNLKSA-N 1 2 257.334 -1.062 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)C(C)C)C1 ZINC001076753300 775749531 /nfs/dbraw/zinc/74/95/31/775749531.db2.gz HZRBYDIKPIQOGE-OPRDCNLKSA-N 1 2 257.334 -1.062 20 0 CAADLO Cn1cccc1C(=O)N[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@H]1O ZINC001076750982 775750166 /nfs/dbraw/zinc/75/01/66/775750166.db2.gz PZQIFDPLJKNJHH-ADEWGFFLSA-N 1 2 292.339 -1.312 20 0 CAADLO Cn1cccc1C(=O)N[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@H]1O ZINC001076750982 775750170 /nfs/dbraw/zinc/75/01/70/775750170.db2.gz PZQIFDPLJKNJHH-ADEWGFFLSA-N 1 2 292.339 -1.312 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(C)C)C1 ZINC001076753299 775750491 /nfs/dbraw/zinc/75/04/91/775750491.db2.gz HZRBYDIKPIQOGE-IVZWLZJFSA-N 1 2 257.334 -1.062 20 0 CAADLO CNC(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)C(C)C)C1 ZINC001076753299 775750493 /nfs/dbraw/zinc/75/04/93/775750493.db2.gz HZRBYDIKPIQOGE-IVZWLZJFSA-N 1 2 257.334 -1.062 20 0 CAADLO O=C(N[C@@H]1C[N@H+]([C@H]2CCCNC2=O)C[C@H]1O)c1cn[nH]c1 ZINC001076769638 775750935 /nfs/dbraw/zinc/75/09/35/775750935.db2.gz LGAFBKKWOLEMBS-OUAUKWLOSA-N 1 2 293.327 -1.537 20 0 CAADLO O=C(N[C@@H]1C[N@@H+]([C@H]2CCCNC2=O)C[C@H]1O)c1cn[nH]c1 ZINC001076769638 775750944 /nfs/dbraw/zinc/75/09/44/775750944.db2.gz LGAFBKKWOLEMBS-OUAUKWLOSA-N 1 2 293.327 -1.537 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cn[nH]c2)C1 ZINC001076771974 775750976 /nfs/dbraw/zinc/75/09/76/775750976.db2.gz JHLTUHMNTGYMFT-SZEHBUNVSA-N 1 2 281.316 -1.681 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cn[nH]c2)C1 ZINC001076771974 775750982 /nfs/dbraw/zinc/75/09/82/775750982.db2.gz JHLTUHMNTGYMFT-SZEHBUNVSA-N 1 2 281.316 -1.681 20 0 CAADLO CN1CC[C@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)c3cn[nH]c3)C2)C1=O ZINC001076772116 775751548 /nfs/dbraw/zinc/75/15/48/775751548.db2.gz QKJBOIQURABERV-OUAUKWLOSA-N 1 2 293.327 -1.585 20 0 CAADLO CN1CC[C@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)c3cn[nH]c3)C2)C1=O ZINC001076772116 775751554 /nfs/dbraw/zinc/75/15/54/775751554.db2.gz QKJBOIQURABERV-OUAUKWLOSA-N 1 2 293.327 -1.585 20 0 CAADLO O=C(N[C@@H]1C[N@H+]([C@@H]2CCCNC2=O)C[C@H]1O)c1ccon1 ZINC001076778051 775751654 /nfs/dbraw/zinc/75/16/54/775751654.db2.gz OJABTFVMCSOZAU-GMTAPVOTSA-N 1 2 294.311 -1.272 20 0 CAADLO O=C(N[C@@H]1C[N@@H+]([C@@H]2CCCNC2=O)C[C@H]1O)c1ccon1 ZINC001076778051 775751664 /nfs/dbraw/zinc/75/16/64/775751664.db2.gz OJABTFVMCSOZAU-GMTAPVOTSA-N 1 2 294.311 -1.272 20 0 CAADLO C[C@@H](C(=O)N(C)C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccon2)C1 ZINC001076779087 775752230 /nfs/dbraw/zinc/75/22/30/775752230.db2.gz BXMROHPPBQDQKD-JMJZKYOTSA-N 1 2 296.327 -1.074 20 0 CAADLO C[C@@H](C(=O)N(C)C)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccon2)C1 ZINC001076779087 775752236 /nfs/dbraw/zinc/75/22/36/775752236.db2.gz BXMROHPPBQDQKD-JMJZKYOTSA-N 1 2 296.327 -1.074 20 0 CAADLO CC[C@@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C)n[nH]2)C1 ZINC001076782592 775754081 /nfs/dbraw/zinc/75/40/81/775754081.db2.gz RCQCMVYCGFAANF-OUAUKWLOSA-N 1 2 295.343 -1.243 20 0 CAADLO CC[C@@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C)n[nH]2)C1 ZINC001076782592 775754087 /nfs/dbraw/zinc/75/40/87/775754087.db2.gz RCQCMVYCGFAANF-OUAUKWLOSA-N 1 2 295.343 -1.243 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2=COCCC2)C1 ZINC001076791884 775754536 /nfs/dbraw/zinc/75/45/36/775754536.db2.gz LELBXZWNVPWCOV-JMJZKYOTSA-N 1 2 283.328 -1.284 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)C2=COCCC2)C1 ZINC001076791884 775754548 /nfs/dbraw/zinc/75/45/48/775754548.db2.gz LELBXZWNVPWCOV-JMJZKYOTSA-N 1 2 283.328 -1.284 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cnn(C)c2)C1 ZINC001076800628 775755738 /nfs/dbraw/zinc/75/57/38/775755738.db2.gz ZFOICADDWBTEMI-JMJZKYOTSA-N 1 2 295.343 -2.002 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cnn(C)c2)C1 ZINC001076800628 775755749 /nfs/dbraw/zinc/75/57/49/775755749.db2.gz ZFOICADDWBTEMI-JMJZKYOTSA-N 1 2 295.343 -2.002 20 0 CAADLO CN(C)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCOC2)C1 ZINC001076792238 775755851 /nfs/dbraw/zinc/75/58/51/775755851.db2.gz SRCJOBSTQXMHEP-GMTAPVOTSA-N 1 2 285.344 -1.728 20 0 CAADLO CN(C)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCOC2)C1 ZINC001076792238 775755863 /nfs/dbraw/zinc/75/58/63/775755863.db2.gz SRCJOBSTQXMHEP-GMTAPVOTSA-N 1 2 285.344 -1.728 20 0 CAADLO CC[C@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccnn2C)C1 ZINC001076797926 775756704 /nfs/dbraw/zinc/75/67/04/775756704.db2.gz DMHGZYZNXZFXMQ-FXPVBKGRSA-N 1 2 295.343 -1.541 20 0 CAADLO CC[C@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccnn2C)C1 ZINC001076797926 775756707 /nfs/dbraw/zinc/75/67/07/775756707.db2.gz DMHGZYZNXZFXMQ-FXPVBKGRSA-N 1 2 295.343 -1.541 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccnn2C)C1 ZINC001076796231 775756919 /nfs/dbraw/zinc/75/69/19/775756919.db2.gz DYOZWDBLJRGVMP-FXPVBKGRSA-N 1 2 295.343 -1.671 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccnn2C)C1 ZINC001076796231 775756923 /nfs/dbraw/zinc/75/69/23/775756923.db2.gz DYOZWDBLJRGVMP-FXPVBKGRSA-N 1 2 295.343 -1.671 20 0 CAADLO CN(C)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCOC2)C1 ZINC001076792239 775756940 /nfs/dbraw/zinc/75/69/40/775756940.db2.gz SRCJOBSTQXMHEP-HBNTYKKESA-N 1 2 285.344 -1.728 20 0 CAADLO CN(C)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCOC2)C1 ZINC001076792239 775756947 /nfs/dbraw/zinc/75/69/47/775756947.db2.gz SRCJOBSTQXMHEP-HBNTYKKESA-N 1 2 285.344 -1.728 20 0 CAADLO Cc1cnn(CC(=O)N[C@@H]2C[N@H+]([C@H](C)C(N)=O)C[C@H]2O)c1 ZINC001076787536 775757004 /nfs/dbraw/zinc/75/70/04/775757004.db2.gz YAAVOIKMEMTQTF-GMTAPVOTSA-N 1 2 295.343 -1.773 20 0 CAADLO Cc1cnn(CC(=O)N[C@@H]2C[N@@H+]([C@H](C)C(N)=O)C[C@H]2O)c1 ZINC001076787536 775757013 /nfs/dbraw/zinc/75/70/13/775757013.db2.gz YAAVOIKMEMTQTF-GMTAPVOTSA-N 1 2 295.343 -1.773 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2CC=CC2)C1 ZINC001076825970 775760372 /nfs/dbraw/zinc/76/03/72/775760372.db2.gz YWVFQOUPONNLSC-JMJZKYOTSA-N 1 2 267.329 -1.012 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)C2CC=CC2)C1 ZINC001076825970 775760387 /nfs/dbraw/zinc/76/03/87/775760387.db2.gz YWVFQOUPONNLSC-JMJZKYOTSA-N 1 2 267.329 -1.012 20 0 CAADLO CN(C)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2ccon2)C1 ZINC001076819810 775761209 /nfs/dbraw/zinc/76/12/09/775761209.db2.gz AQBPRBJESPIMSR-GHMZBOCLSA-N 1 2 296.327 -1.533 20 0 CAADLO CN(C)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2ccon2)C1 ZINC001076819810 775761215 /nfs/dbraw/zinc/76/12/15/775761215.db2.gz AQBPRBJESPIMSR-GHMZBOCLSA-N 1 2 296.327 -1.533 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2ccon2)C1 ZINC001076821530 775761326 /nfs/dbraw/zinc/76/13/26/775761326.db2.gz PFVIXMJLPOKKPD-FBIMIBRVSA-N 1 2 296.327 -1.487 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2ccon2)C1 ZINC001076821530 775761330 /nfs/dbraw/zinc/76/13/30/775761330.db2.gz PFVIXMJLPOKKPD-FBIMIBRVSA-N 1 2 296.327 -1.487 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC2CCOCC2)C1 ZINC001076819921 775761417 /nfs/dbraw/zinc/76/14/17/775761417.db2.gz FMCCCBUARGEXOL-MVWJERBFSA-N 1 2 299.371 -1.162 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)CC2CCOCC2)C1 ZINC001076819921 775761422 /nfs/dbraw/zinc/76/14/22/775761422.db2.gz FMCCCBUARGEXOL-MVWJERBFSA-N 1 2 299.371 -1.162 20 0 CAADLO CC[C@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2ccon2)C1 ZINC001076821652 775761799 /nfs/dbraw/zinc/76/17/99/775761799.db2.gz VMGOLQUXULFEMC-GMTAPVOTSA-N 1 2 296.327 -1.358 20 0 CAADLO CC[C@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2ccon2)C1 ZINC001076821652 775761809 /nfs/dbraw/zinc/76/18/09/775761809.db2.gz VMGOLQUXULFEMC-GMTAPVOTSA-N 1 2 296.327 -1.358 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC2CCOCC2)C1 ZINC001076819922 775763228 /nfs/dbraw/zinc/76/32/28/775763228.db2.gz FMCCCBUARGEXOL-YUSALJHKSA-N 1 2 299.371 -1.162 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)CC2CCOCC2)C1 ZINC001076819922 775763232 /nfs/dbraw/zinc/76/32/32/775763232.db2.gz FMCCCBUARGEXOL-YUSALJHKSA-N 1 2 299.371 -1.162 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)c2cnc[nH]c2=O)[C@@H](O)C1 ZINC001083554935 775765951 /nfs/dbraw/zinc/76/59/51/775765951.db2.gz DKRGQZOUVGUMTL-ZQARSLAVSA-N 1 2 295.299 -2.169 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)c2cnc[nH]c2=O)[C@@H](O)C1 ZINC001083554935 775765952 /nfs/dbraw/zinc/76/59/52/775765952.db2.gz DKRGQZOUVGUMTL-ZQARSLAVSA-N 1 2 295.299 -2.169 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)c2cnc[nH]c2=O)[C@@H](O)C1 ZINC001083554934 775766347 /nfs/dbraw/zinc/76/63/47/775766347.db2.gz DKRGQZOUVGUMTL-VDAHYXPESA-N 1 2 295.299 -2.169 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)c2cnc[nH]c2=O)[C@@H](O)C1 ZINC001083554934 775766356 /nfs/dbraw/zinc/76/63/56/775766356.db2.gz DKRGQZOUVGUMTL-VDAHYXPESA-N 1 2 295.299 -2.169 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cccnc2)C1 ZINC001076885951 775768778 /nfs/dbraw/zinc/76/87/78/775768778.db2.gz SRTDSFKLRIPFGN-MVWJERBFSA-N 1 2 292.339 -1.341 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cccnc2)C1 ZINC001076885951 775768782 /nfs/dbraw/zinc/76/87/82/775768782.db2.gz SRTDSFKLRIPFGN-MVWJERBFSA-N 1 2 292.339 -1.341 20 0 CAADLO CC[C@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cn(C)cn2)C1 ZINC001076882234 775768928 /nfs/dbraw/zinc/76/89/28/775768928.db2.gz ABWCNBDOKGZNBG-FBIMIBRVSA-N 1 2 295.343 -1.541 20 0 CAADLO CC[C@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cn(C)cn2)C1 ZINC001076882234 775768932 /nfs/dbraw/zinc/76/89/32/775768932.db2.gz ABWCNBDOKGZNBG-FBIMIBRVSA-N 1 2 295.343 -1.541 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccn(C)c2)C1 ZINC001076881436 775769916 /nfs/dbraw/zinc/76/99/16/775769916.db2.gz NSXXQJWBSMLVJB-YUSALJHKSA-N 1 2 294.355 -1.066 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccn(C)c2)C1 ZINC001076881436 775769925 /nfs/dbraw/zinc/76/99/25/775769925.db2.gz NSXXQJWBSMLVJB-YUSALJHKSA-N 1 2 294.355 -1.066 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2ccoc2)C1 ZINC001076911647 775771352 /nfs/dbraw/zinc/77/13/52/775771352.db2.gz VOQZXZYKHPVCSI-JMJZKYOTSA-N 1 2 281.312 -1.143 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2ccoc2)C1 ZINC001076911647 775771356 /nfs/dbraw/zinc/77/13/56/775771356.db2.gz VOQZXZYKHPVCSI-JMJZKYOTSA-N 1 2 281.312 -1.143 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CN2CN=NC2=O)C1 ZINC001076910122 775771987 /nfs/dbraw/zinc/77/19/87/775771987.db2.gz ZRMGUDGGSZHJLC-BWZBUEFSSA-N 1 2 298.303 -2.981 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)CN2CN=NC2=O)C1 ZINC001076910122 775771995 /nfs/dbraw/zinc/77/19/95/775771995.db2.gz ZRMGUDGGSZHJLC-BWZBUEFSSA-N 1 2 298.303 -2.981 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CN2CN=NC2=O)C1 ZINC001076910123 775772066 /nfs/dbraw/zinc/77/20/66/775772066.db2.gz ZRMGUDGGSZHJLC-XLPZGREQSA-N 1 2 298.303 -2.981 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)CN2CN=NC2=O)C1 ZINC001076910123 775772075 /nfs/dbraw/zinc/77/20/75/775772075.db2.gz ZRMGUDGGSZHJLC-XLPZGREQSA-N 1 2 298.303 -2.981 20 0 CAADLO CC[C@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cncnc2)C1 ZINC001076916389 775774005 /nfs/dbraw/zinc/77/40/05/775774005.db2.gz IQKMVJNQRVUOGG-GMTAPVOTSA-N 1 2 293.327 -1.485 20 0 CAADLO CC[C@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cncnc2)C1 ZINC001076916389 775774011 /nfs/dbraw/zinc/77/40/11/775774011.db2.gz IQKMVJNQRVUOGG-GMTAPVOTSA-N 1 2 293.327 -1.485 20 0 CAADLO CC[C@@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cncnc2)C1 ZINC001076916390 775774457 /nfs/dbraw/zinc/77/44/57/775774457.db2.gz IQKMVJNQRVUOGG-OUAUKWLOSA-N 1 2 293.327 -1.485 20 0 CAADLO CC[C@@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cncnc2)C1 ZINC001076916390 775774461 /nfs/dbraw/zinc/77/44/61/775774461.db2.gz IQKMVJNQRVUOGG-OUAUKWLOSA-N 1 2 293.327 -1.485 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2ccnn2C)C1 ZINC001076933298 775775395 /nfs/dbraw/zinc/77/53/95/775775395.db2.gz UKEBEPQKRCVPGO-FBIMIBRVSA-N 1 2 295.343 -2.002 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2ccnn2C)C1 ZINC001076933298 775775403 /nfs/dbraw/zinc/77/54/03/775775403.db2.gz UKEBEPQKRCVPGO-FBIMIBRVSA-N 1 2 295.343 -2.002 20 0 CAADLO CN(C)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2=CCOCC2)C1 ZINC001076920324 775776141 /nfs/dbraw/zinc/77/61/41/775776141.db2.gz BXWIENICMIUOOQ-VXGBXAGGSA-N 1 2 297.355 -1.417 20 0 CAADLO CN(C)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C2=CCOCC2)C1 ZINC001076920324 775776144 /nfs/dbraw/zinc/77/61/44/775776144.db2.gz BXWIENICMIUOOQ-VXGBXAGGSA-N 1 2 297.355 -1.417 20 0 CAADLO CC[C@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2=CCOCC2)C1 ZINC001076917941 775776284 /nfs/dbraw/zinc/77/62/84/775776284.db2.gz FNBGBEATCNCKSO-IJLUTSLNSA-N 1 2 297.355 -1.242 20 0 CAADLO CC[C@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)C2=CCOCC2)C1 ZINC001076917941 775776291 /nfs/dbraw/zinc/77/62/91/775776291.db2.gz FNBGBEATCNCKSO-IJLUTSLNSA-N 1 2 297.355 -1.242 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cncnc2)C1 ZINC001076938350 775778034 /nfs/dbraw/zinc/77/80/34/775778034.db2.gz YSMNJXXWOQWMPX-FBIMIBRVSA-N 1 2 293.327 -1.946 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cncnc2)C1 ZINC001076938350 775778042 /nfs/dbraw/zinc/77/80/42/775778042.db2.gz YSMNJXXWOQWMPX-FBIMIBRVSA-N 1 2 293.327 -1.946 20 0 CAADLO CC(=O)N1CC(C(=O)N[C@@H]2C[N@H+](CCF)C[C@H]2O)C1 ZINC001076932259 775778687 /nfs/dbraw/zinc/77/86/87/775778687.db2.gz OZFDTRSKDWHIBE-GHMZBOCLSA-N 1 2 273.308 -1.405 20 0 CAADLO CC(=O)N1CC(C(=O)N[C@@H]2C[N@@H+](CCF)C[C@H]2O)C1 ZINC001076932259 775778698 /nfs/dbraw/zinc/77/86/98/775778698.db2.gz OZFDTRSKDWHIBE-GHMZBOCLSA-N 1 2 273.308 -1.405 20 0 CAADLO CNC(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2ccnn2C)C1 ZINC001076935967 775778839 /nfs/dbraw/zinc/77/88/39/775778839.db2.gz YAXLTGFCCFGQBL-GHMZBOCLSA-N 1 2 295.343 -2.130 20 0 CAADLO CNC(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2ccnn2C)C1 ZINC001076935967 775778844 /nfs/dbraw/zinc/77/88/44/775778844.db2.gz YAXLTGFCCFGQBL-GHMZBOCLSA-N 1 2 295.343 -2.130 20 0 CAADLO Cc1cc[nH]c1C(=O)N[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@H]1O ZINC001076951708 775779786 /nfs/dbraw/zinc/77/97/86/775779786.db2.gz YHCIPGZXCFYWQD-OUAUKWLOSA-N 1 2 292.339 -1.013 20 0 CAADLO Cc1cc[nH]c1C(=O)N[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@H]1O ZINC001076951708 775779793 /nfs/dbraw/zinc/77/97/93/775779793.db2.gz YHCIPGZXCFYWQD-OUAUKWLOSA-N 1 2 292.339 -1.013 20 0 CAADLO CC[C@@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cn(C)nn2)C1 ZINC001076960506 775780686 /nfs/dbraw/zinc/78/06/86/775780686.db2.gz HJWRDPVJCULABE-FKTZTGRPSA-N 1 2 296.331 -2.146 20 0 CAADLO CC[C@@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cn(C)nn2)C1 ZINC001076960506 775780694 /nfs/dbraw/zinc/78/06/94/775780694.db2.gz HJWRDPVJCULABE-FKTZTGRPSA-N 1 2 296.331 -2.146 20 0 CAADLO CC[C@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cn(C)nn2)C1 ZINC001076960507 775781263 /nfs/dbraw/zinc/78/12/63/775781263.db2.gz HJWRDPVJCULABE-SZEHBUNVSA-N 1 2 296.331 -2.146 20 0 CAADLO CC[C@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cn(C)nn2)C1 ZINC001076960507 775781274 /nfs/dbraw/zinc/78/12/74/775781274.db2.gz HJWRDPVJCULABE-SZEHBUNVSA-N 1 2 296.331 -2.146 20 0 CAADLO CN1CC[C@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)c3ncc[nH]3)C2)C1=O ZINC001076971423 775782147 /nfs/dbraw/zinc/78/21/47/775782147.db2.gz CYPRVWKGOWICOF-KXUCPTDWSA-N 1 2 293.327 -1.585 20 0 CAADLO CN1CC[C@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)c3ncc[nH]3)C2)C1=O ZINC001076971423 775782155 /nfs/dbraw/zinc/78/21/55/775782155.db2.gz CYPRVWKGOWICOF-KXUCPTDWSA-N 1 2 293.327 -1.585 20 0 CAADLO CN(C)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC2(F)F)C1 ZINC001076967705 775783163 /nfs/dbraw/zinc/78/31/63/775783163.db2.gz XLCXGNDNOKXTHE-IWSPIJDZSA-N 1 2 291.298 -1.109 20 0 CAADLO CN(C)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC2(F)F)C1 ZINC001076967705 775783169 /nfs/dbraw/zinc/78/31/69/775783169.db2.gz XLCXGNDNOKXTHE-IWSPIJDZSA-N 1 2 291.298 -1.109 20 0 CAADLO CC[C@@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ncc[nH]2)C1 ZINC001076971730 775783398 /nfs/dbraw/zinc/78/33/98/775783398.db2.gz QKVGHTUMOMHYAY-HRDYMLBCSA-N 1 2 281.316 -1.552 20 0 CAADLO CC[C@@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ncc[nH]2)C1 ZINC001076971730 775783403 /nfs/dbraw/zinc/78/34/03/775783403.db2.gz QKVGHTUMOMHYAY-HRDYMLBCSA-N 1 2 281.316 -1.552 20 0 CAADLO CC[C@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ncc[nH]2)C1 ZINC001076971731 775783815 /nfs/dbraw/zinc/78/38/15/775783815.db2.gz QKVGHTUMOMHYAY-IWSPIJDZSA-N 1 2 281.316 -1.552 20 0 CAADLO CC[C@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ncc[nH]2)C1 ZINC001076971731 775783823 /nfs/dbraw/zinc/78/38/23/775783823.db2.gz QKVGHTUMOMHYAY-IWSPIJDZSA-N 1 2 281.316 -1.552 20 0 CAADLO COCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2n[nH]c(C)n2)C1 ZINC001076978819 775784688 /nfs/dbraw/zinc/78/46/88/775784688.db2.gz ZKEJSYIIDZHMSO-NXEZZACHSA-N 1 2 283.332 -1.537 20 0 CAADLO COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2n[nH]c(C)n2)C1 ZINC001076978819 775784695 /nfs/dbraw/zinc/78/46/95/775784695.db2.gz ZKEJSYIIDZHMSO-NXEZZACHSA-N 1 2 283.332 -1.537 20 0 CAADLO O=C(N[C@@H]1C[N@H+]([C@H]2CCCNC2=O)C[C@H]1O)c1ncc[nH]1 ZINC001076972442 775785410 /nfs/dbraw/zinc/78/54/10/775785410.db2.gz DMJOMRWCNQZZMA-KXUCPTDWSA-N 1 2 293.327 -1.537 20 0 CAADLO O=C(N[C@@H]1C[N@@H+]([C@H]2CCCNC2=O)C[C@H]1O)c1ncc[nH]1 ZINC001076972442 775785418 /nfs/dbraw/zinc/78/54/18/775785418.db2.gz DMJOMRWCNQZZMA-KXUCPTDWSA-N 1 2 293.327 -1.537 20 0 CAADLO CC[C@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2n[nH]cc2C)C1 ZINC001076974789 775786232 /nfs/dbraw/zinc/78/62/32/775786232.db2.gz HHNJYUNTAZVZGZ-OPRDCNLKSA-N 1 2 295.343 -1.243 20 0 CAADLO CC[C@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2n[nH]cc2C)C1 ZINC001076974789 775786238 /nfs/dbraw/zinc/78/62/38/775786238.db2.gz HHNJYUNTAZVZGZ-OPRDCNLKSA-N 1 2 295.343 -1.243 20 0 CAADLO O=C(Cn1ncnn1)N[C@@H]1C[N@@H+](C/C=C\Cl)C[C@H]1O ZINC001077004196 775787972 /nfs/dbraw/zinc/78/79/72/775787972.db2.gz ROMZEQJBJUNFRC-WDESOFOKSA-N 1 2 286.723 -1.413 20 0 CAADLO O=C(Cn1ncnn1)N[C@@H]1C[N@H+](C/C=C\Cl)C[C@H]1O ZINC001077004196 775787975 /nfs/dbraw/zinc/78/79/75/775787975.db2.gz ROMZEQJBJUNFRC-WDESOFOKSA-N 1 2 286.723 -1.413 20 0 CAADLO O=C(N[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@H]1O)c1cc[nH]c1 ZINC001077041229 775789492 /nfs/dbraw/zinc/78/94/92/775789492.db2.gz FVMOYYRNKLDFRX-GMTAPVOTSA-N 1 2 278.312 -1.322 20 0 CAADLO O=C(N[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@H]1O)c1cc[nH]c1 ZINC001077041229 775789500 /nfs/dbraw/zinc/78/95/00/775789500.db2.gz FVMOYYRNKLDFRX-GMTAPVOTSA-N 1 2 278.312 -1.322 20 0 CAADLO CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2CS(=O)(=O)C2)C1 ZINC001077054101 775791236 /nfs/dbraw/zinc/79/12/36/775791236.db2.gz KVRZQBUEMFMSFH-NXEZZACHSA-N 1 2 276.358 -1.398 20 0 CAADLO CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C2CS(=O)(=O)C2)C1 ZINC001077054101 775791240 /nfs/dbraw/zinc/79/12/40/775791240.db2.gz KVRZQBUEMFMSFH-NXEZZACHSA-N 1 2 276.358 -1.398 20 0 CAADLO O=C(N[C@@H]1C[N@H+](CCCO)C[C@H]1O)C1CS(=O)(=O)C1 ZINC001077054711 775791259 /nfs/dbraw/zinc/79/12/59/775791259.db2.gz XWXVVJNEELDNGK-NXEZZACHSA-N 1 2 292.357 -2.425 20 0 CAADLO O=C(N[C@@H]1C[N@@H+](CCCO)C[C@H]1O)C1CS(=O)(=O)C1 ZINC001077054711 775791263 /nfs/dbraw/zinc/79/12/63/775791263.db2.gz XWXVVJNEELDNGK-NXEZZACHSA-N 1 2 292.357 -2.425 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2nccn2)C1 ZINC001077063391 775791782 /nfs/dbraw/zinc/79/17/82/775791782.db2.gz KLLTYRPBXPPIIU-OPRDCNLKSA-N 1 2 296.331 -2.426 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2nccn2)C1 ZINC001077063391 775791788 /nfs/dbraw/zinc/79/17/88/775791788.db2.gz KLLTYRPBXPPIIU-OPRDCNLKSA-N 1 2 296.331 -2.426 20 0 CAADLO CN(C)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2nccn2)C1 ZINC001077063615 775792030 /nfs/dbraw/zinc/79/20/30/775792030.db2.gz VOTMDUBIKUZRCK-NXEZZACHSA-N 1 2 296.331 -2.472 20 0 CAADLO CN(C)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2nccn2)C1 ZINC001077063615 775792039 /nfs/dbraw/zinc/79/20/39/775792039.db2.gz VOTMDUBIKUZRCK-NXEZZACHSA-N 1 2 296.331 -2.472 20 0 CAADLO CN1C[C@@H](C(=O)N[C@@H]2C[N@H+](CCF)C[C@H]2O)CC1=O ZINC001077087290 775793578 /nfs/dbraw/zinc/79/35/78/775793578.db2.gz CNWBLHWWIHFNKT-IVZWLZJFSA-N 1 2 273.308 -1.405 20 0 CAADLO CN1C[C@@H](C(=O)N[C@@H]2C[N@@H+](CCF)C[C@H]2O)CC1=O ZINC001077087290 775793588 /nfs/dbraw/zinc/79/35/88/775793588.db2.gz CNWBLHWWIHFNKT-IVZWLZJFSA-N 1 2 273.308 -1.405 20 0 CAADLO CN1C[C@H](C(=O)N[C@@H]2C[N@H+](CCF)C[C@H]2O)CC1=O ZINC001077087291 775794107 /nfs/dbraw/zinc/79/41/07/775794107.db2.gz CNWBLHWWIHFNKT-OPRDCNLKSA-N 1 2 273.308 -1.405 20 0 CAADLO CN1C[C@H](C(=O)N[C@@H]2C[N@@H+](CCF)C[C@H]2O)CC1=O ZINC001077087291 775794114 /nfs/dbraw/zinc/79/41/14/775794114.db2.gz CNWBLHWWIHFNKT-OPRDCNLKSA-N 1 2 273.308 -1.405 20 0 CAADLO O=C(C[C@H]1CCNC1=O)N[C@@H]1C[N@@H+](CCF)C[C@H]1O ZINC001077125281 775796378 /nfs/dbraw/zinc/79/63/78/775796378.db2.gz MMTJQSROMXCGMS-OPRDCNLKSA-N 1 2 273.308 -1.357 20 0 CAADLO O=C(C[C@H]1CCNC1=O)N[C@@H]1C[N@H+](CCF)C[C@H]1O ZINC001077125281 775796390 /nfs/dbraw/zinc/79/63/90/775796390.db2.gz MMTJQSROMXCGMS-OPRDCNLKSA-N 1 2 273.308 -1.357 20 0 CAADLO O=C(C[C@@H]1NC(=O)NC1=O)N[C@@H]1C[N@@H+](CCF)C[C@H]1O ZINC001077157141 775798127 /nfs/dbraw/zinc/79/81/27/775798127.db2.gz UUYOLGOVSUJDPY-XLPZGREQSA-N 1 2 288.279 -2.285 20 0 CAADLO O=C(C[C@@H]1NC(=O)NC1=O)N[C@@H]1C[N@H+](CCF)C[C@H]1O ZINC001077157141 775798138 /nfs/dbraw/zinc/79/81/38/775798138.db2.gz UUYOLGOVSUJDPY-XLPZGREQSA-N 1 2 288.279 -2.285 20 0 CAADLO O=C(N[C@@H]1C[N@@H+](CCF)C[C@H]1O)c1cn[nH]c(=O)c1 ZINC001077182940 775801837 /nfs/dbraw/zinc/80/18/37/775801837.db2.gz MMQNUAYRBLNVGD-RKDXNWHRSA-N 1 2 270.264 -1.073 20 0 CAADLO O=C(N[C@@H]1C[N@H+](CCF)C[C@H]1O)c1cn[nH]c(=O)c1 ZINC001077182940 775801844 /nfs/dbraw/zinc/80/18/44/775801844.db2.gz MMQNUAYRBLNVGD-RKDXNWHRSA-N 1 2 270.264 -1.073 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnc[nH]c2=O)C1 ZINC001077199228 775802259 /nfs/dbraw/zinc/80/22/59/775802259.db2.gz DKRGQZOUVGUMTL-FTLITQJKSA-N 1 2 295.299 -2.169 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnc[nH]c2=O)C1 ZINC001077199228 775802266 /nfs/dbraw/zinc/80/22/66/775802266.db2.gz DKRGQZOUVGUMTL-FTLITQJKSA-N 1 2 295.299 -2.169 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cn[nH]c(=O)c2)C1 ZINC001077182745 775803688 /nfs/dbraw/zinc/80/36/88/775803688.db2.gz CSJDORGRQQYKCS-NBEYISGCSA-N 1 2 295.299 -2.169 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cn[nH]c(=O)c2)C1 ZINC001077182745 775803696 /nfs/dbraw/zinc/80/36/96/775803696.db2.gz CSJDORGRQQYKCS-NBEYISGCSA-N 1 2 295.299 -2.169 20 0 CAADLO C[C@@H](CCNC(=O)Cn1cc[nH+]c1)NC(=O)C(N)=O ZINC001077184833 775803877 /nfs/dbraw/zinc/80/38/77/775803877.db2.gz XCFSPYHHAGAWLP-QMMMGPOBSA-N 1 2 267.289 -1.621 20 0 CAADLO O=C(N[C@@H]1C[N@@H+](CCF)C[C@H]1O)c1cnc[nH]c1=O ZINC001077199629 775805202 /nfs/dbraw/zinc/80/52/02/775805202.db2.gz XLFRIPMFXKHXQQ-RKDXNWHRSA-N 1 2 270.264 -1.073 20 0 CAADLO O=C(N[C@@H]1C[N@H+](CCF)C[C@H]1O)c1cnc[nH]c1=O ZINC001077199629 775805210 /nfs/dbraw/zinc/80/52/10/775805210.db2.gz XLFRIPMFXKHXQQ-RKDXNWHRSA-N 1 2 270.264 -1.073 20 0 CAADLO C[C@@H]1CN(C)C[C@H](C(=O)N[C@@H]2C[N@H+](CCO)C[C@H]2O)O1 ZINC001077221176 775806487 /nfs/dbraw/zinc/80/64/87/775806487.db2.gz FNNRQLVXHAFNIH-DDHJBXDOSA-N 1 2 287.360 -2.141 20 0 CAADLO C[C@@H]1CN(C)C[C@H](C(=O)N[C@@H]2C[N@@H+](CCO)C[C@H]2O)O1 ZINC001077221176 775806498 /nfs/dbraw/zinc/80/64/98/775806498.db2.gz FNNRQLVXHAFNIH-DDHJBXDOSA-N 1 2 287.360 -2.141 20 0 CAADLO O=C(N[C@@H]1C[N@@H+](CCF)C[C@H]1O)[C@H]1CCC(=O)NC1 ZINC001077279322 775809333 /nfs/dbraw/zinc/80/93/33/775809333.db2.gz HIYKLAVRZIEXDX-IVZWLZJFSA-N 1 2 273.308 -1.357 20 0 CAADLO O=C(N[C@@H]1C[N@H+](CCF)C[C@H]1O)[C@H]1CCC(=O)NC1 ZINC001077279322 775809339 /nfs/dbraw/zinc/80/93/39/775809339.db2.gz HIYKLAVRZIEXDX-IVZWLZJFSA-N 1 2 273.308 -1.357 20 0 CAADLO O=C(N[C@@H]1C[N@@H+](CCn2cccn2)C[C@H]1O)c1cn[nH]n1 ZINC001077283585 775811425 /nfs/dbraw/zinc/81/14/25/775811425.db2.gz LYEJWQMUIATGCW-GHMZBOCLSA-N 1 2 291.315 -1.524 20 0 CAADLO O=C(N[C@@H]1C[N@H+](CCn2cccn2)C[C@H]1O)c1cn[nH]n1 ZINC001077283585 775811433 /nfs/dbraw/zinc/81/14/33/775811433.db2.gz LYEJWQMUIATGCW-GHMZBOCLSA-N 1 2 291.315 -1.524 20 0 CAADLO O=C(N[C@@H]1C[N@@H+](CCn2cccn2)C[C@H]1O)c1cnn[nH]1 ZINC001077283585 775811439 /nfs/dbraw/zinc/81/14/39/775811439.db2.gz LYEJWQMUIATGCW-GHMZBOCLSA-N 1 2 291.315 -1.524 20 0 CAADLO O=C(N[C@@H]1C[N@H+](CCn2cccn2)C[C@H]1O)c1cnn[nH]1 ZINC001077283585 775811449 /nfs/dbraw/zinc/81/14/49/775811449.db2.gz LYEJWQMUIATGCW-GHMZBOCLSA-N 1 2 291.315 -1.524 20 0 CAADLO CO[C@H](C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cn[nH]n2)C1 ZINC001077287251 775812962 /nfs/dbraw/zinc/81/29/62/775812962.db2.gz QQWFFUYMWNGTLL-SZEHBUNVSA-N 1 2 269.305 -1.386 20 0 CAADLO CO[C@H](C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cn[nH]n2)C1 ZINC001077287251 775812967 /nfs/dbraw/zinc/81/29/67/775812967.db2.gz QQWFFUYMWNGTLL-SZEHBUNVSA-N 1 2 269.305 -1.386 20 0 CAADLO CO[C@H](C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn[nH]2)C1 ZINC001077287251 775812976 /nfs/dbraw/zinc/81/29/76/775812976.db2.gz QQWFFUYMWNGTLL-SZEHBUNVSA-N 1 2 269.305 -1.386 20 0 CAADLO CO[C@H](C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn[nH]2)C1 ZINC001077287251 775812988 /nfs/dbraw/zinc/81/29/88/775812988.db2.gz QQWFFUYMWNGTLL-SZEHBUNVSA-N 1 2 269.305 -1.386 20 0 CAADLO CC(C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCS(=O)(=O)C2)C1 ZINC001077335334 775817265 /nfs/dbraw/zinc/81/72/65/775817265.db2.gz MECMDAKWXVZJKS-HBNTYKKESA-N 1 2 290.385 -1.009 20 0 CAADLO CC(C)[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCS(=O)(=O)C2)C1 ZINC001077335334 775817275 /nfs/dbraw/zinc/81/72/75/775817275.db2.gz MECMDAKWXVZJKS-HBNTYKKESA-N 1 2 290.385 -1.009 20 0 CAADLO CC[C@@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cncn2C)C1 ZINC001077318604 775817648 /nfs/dbraw/zinc/81/76/48/775817648.db2.gz DJBKSTZYPSTPNQ-WCABBAIRSA-N 1 2 295.343 -1.541 20 0 CAADLO CC[C@@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cncn2C)C1 ZINC001077318604 775817654 /nfs/dbraw/zinc/81/76/54/775817654.db2.gz DJBKSTZYPSTPNQ-WCABBAIRSA-N 1 2 295.343 -1.541 20 0 CAADLO Cn1ccc(CC(=O)NCC[NH2+]Cc2nc(=O)n(C)[nH]2)n1 ZINC001126971637 775818038 /nfs/dbraw/zinc/81/80/38/775818038.db2.gz LDYGCMGMLQHHKJ-UHFFFAOYSA-N 1 2 293.331 -1.710 20 0 CAADLO COc1c[nH]c(C(=O)N[C@@H]2C[N@H+](CCO)C[C@H]2O)cc1=O ZINC001077390242 775823394 /nfs/dbraw/zinc/82/33/94/775823394.db2.gz IQQMEENBKMXFDD-MWLCHTKSSA-N 1 2 297.311 -1.849 20 0 CAADLO COc1c[nH]c(C(=O)N[C@@H]2C[N@@H+](CCO)C[C@H]2O)cc1=O ZINC001077390242 775823403 /nfs/dbraw/zinc/82/34/03/775823403.db2.gz IQQMEENBKMXFDD-MWLCHTKSSA-N 1 2 297.311 -1.849 20 0 CAADLO O=C(N[C@@H]1C[N@@H+](CCF)C[C@@H]1O)[C@@H]1CCC(=O)NC1 ZINC001083593220 775828151 /nfs/dbraw/zinc/82/81/51/775828151.db2.gz HIYKLAVRZIEXDX-BBBLOLIVSA-N 1 2 273.308 -1.357 20 0 CAADLO O=C(N[C@@H]1C[N@H+](CCF)C[C@@H]1O)[C@@H]1CCC(=O)NC1 ZINC001083593220 775828160 /nfs/dbraw/zinc/82/81/60/775828160.db2.gz HIYKLAVRZIEXDX-BBBLOLIVSA-N 1 2 273.308 -1.357 20 0 CAADLO CO[C@H](C)C[N@@H+]1C[C@@H](NC(=O)c2cn[nH]n2)[C@@H](O)C1 ZINC001083598350 775830070 /nfs/dbraw/zinc/83/00/70/775830070.db2.gz QQWFFUYMWNGTLL-QNSHHTMESA-N 1 2 269.305 -1.386 20 0 CAADLO CO[C@H](C)C[N@H+]1C[C@@H](NC(=O)c2cnn[nH]2)[C@@H](O)C1 ZINC001083598350 775830076 /nfs/dbraw/zinc/83/00/76/775830076.db2.gz QQWFFUYMWNGTLL-QNSHHTMESA-N 1 2 269.305 -1.386 20 0 CAADLO CO[C@H](C)C[N@@H+]1C[C@@H](NC(=O)c2cnn[nH]2)[C@@H](O)C1 ZINC001083598350 775830087 /nfs/dbraw/zinc/83/00/87/775830087.db2.gz QQWFFUYMWNGTLL-QNSHHTMESA-N 1 2 269.305 -1.386 20 0 CAADLO COC[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2cn[nH]n2)[C@@H](O)C1 ZINC001083596668 775830364 /nfs/dbraw/zinc/83/03/64/775830364.db2.gz JZXACFUTPKRLGM-SFGNSQDASA-N 1 2 269.305 -1.386 20 0 CAADLO COC[C@H](C)[N@H+]1C[C@@H](NC(=O)c2cnn[nH]2)[C@@H](O)C1 ZINC001083596668 775830370 /nfs/dbraw/zinc/83/03/70/775830370.db2.gz JZXACFUTPKRLGM-SFGNSQDASA-N 1 2 269.305 -1.386 20 0 CAADLO COC[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2cnn[nH]2)[C@@H](O)C1 ZINC001083596668 775830380 /nfs/dbraw/zinc/83/03/80/775830380.db2.gz JZXACFUTPKRLGM-SFGNSQDASA-N 1 2 269.305 -1.386 20 0 CAADLO O=C(N[C@@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O)c1cn[nH]n1 ZINC001083598358 775831177 /nfs/dbraw/zinc/83/11/77/775831177.db2.gz QXHGICFMOGXSMS-ZJUUUORDSA-N 1 2 292.303 -2.129 20 0 CAADLO O=C(N[C@@H]1C[N@H+](CCn2cncn2)C[C@@H]1O)c1cn[nH]n1 ZINC001083598358 775831178 /nfs/dbraw/zinc/83/11/78/775831178.db2.gz QXHGICFMOGXSMS-ZJUUUORDSA-N 1 2 292.303 -2.129 20 0 CAADLO C[C@H](O)C[N@@H+]1C[C@@H](NC(=O)c2cn[nH]n2)[C@@H](O)C1 ZINC001083598105 775831720 /nfs/dbraw/zinc/83/17/20/775831720.db2.gz FILIQPHZPVBTEQ-ZQARSLAVSA-N 1 2 255.278 -2.040 20 0 CAADLO C[C@H](O)C[N@H+]1C[C@@H](NC(=O)c2cnn[nH]2)[C@@H](O)C1 ZINC001083598105 775831730 /nfs/dbraw/zinc/83/17/30/775831730.db2.gz FILIQPHZPVBTEQ-ZQARSLAVSA-N 1 2 255.278 -2.040 20 0 CAADLO C[C@H](O)C[N@@H+]1C[C@@H](NC(=O)c2cnn[nH]2)[C@@H](O)C1 ZINC001083598105 775831739 /nfs/dbraw/zinc/83/17/39/775831739.db2.gz FILIQPHZPVBTEQ-ZQARSLAVSA-N 1 2 255.278 -2.040 20 0 CAADLO CC[C@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)c2cncn2C)[C@@H](O)C1 ZINC001083610089 775832612 /nfs/dbraw/zinc/83/26/12/775832612.db2.gz DJBKSTZYPSTPNQ-KKZNHRDASA-N 1 2 295.343 -1.541 20 0 CAADLO CC[C@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)c2cncn2C)[C@@H](O)C1 ZINC001083610089 775832615 /nfs/dbraw/zinc/83/26/15/775832615.db2.gz DJBKSTZYPSTPNQ-KKZNHRDASA-N 1 2 295.343 -1.541 20 0 CAADLO CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCS(=O)(=O)C2)[C@@H](O)C1 ZINC001083618026 775834567 /nfs/dbraw/zinc/83/45/67/775834567.db2.gz MVYQZPXUUACORP-AEJSXWLSSA-N 1 2 276.358 -1.398 20 0 CAADLO CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCS(=O)(=O)C2)[C@@H](O)C1 ZINC001083618026 775834575 /nfs/dbraw/zinc/83/45/75/775834575.db2.gz MVYQZPXUUACORP-AEJSXWLSSA-N 1 2 276.358 -1.398 20 0 CAADLO CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCS(=O)(=O)C2)[C@@H](O)C1 ZINC001083618027 775834595 /nfs/dbraw/zinc/83/45/95/775834595.db2.gz MVYQZPXUUACORP-BBBLOLIVSA-N 1 2 276.358 -1.398 20 0 CAADLO CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCS(=O)(=O)C2)[C@@H](O)C1 ZINC001083618027 775834598 /nfs/dbraw/zinc/83/45/98/775834598.db2.gz MVYQZPXUUACORP-BBBLOLIVSA-N 1 2 276.358 -1.398 20 0 CAADLO O=C(NC[C@@H]1CC[N@@H+]1[C@@H]1CCNC1=O)c1cn[nH]c(=O)c1 ZINC001038377471 775835129 /nfs/dbraw/zinc/83/51/29/775835129.db2.gz KWTQCGPZBOKCOZ-VHSXEESVSA-N 1 2 291.311 -1.125 20 0 CAADLO O=C(NC[C@@H]1CC[N@H+]1[C@@H]1CCNC1=O)c1cn[nH]c(=O)c1 ZINC001038377471 775835135 /nfs/dbraw/zinc/83/51/35/775835135.db2.gz KWTQCGPZBOKCOZ-VHSXEESVSA-N 1 2 291.311 -1.125 20 0 CAADLO COCC(=O)NC[C@@H](O)CNc1[nH+]cnc2c1cnn2C ZINC001105701240 775835385 /nfs/dbraw/zinc/83/53/85/775835385.db2.gz UMJAZLCSQPYXLW-MRVPVSSYSA-N 1 2 294.315 -1.101 20 0 CAADLO O=C(NC[C@H]1CC[N@@H+]1[C@H]1CCNC1=O)c1cn[nH]c(=O)c1 ZINC001038377473 775835401 /nfs/dbraw/zinc/83/54/01/775835401.db2.gz KWTQCGPZBOKCOZ-ZJUUUORDSA-N 1 2 291.311 -1.125 20 0 CAADLO O=C(NC[C@H]1CC[N@H+]1[C@H]1CCNC1=O)c1cn[nH]c(=O)c1 ZINC001038377473 775835408 /nfs/dbraw/zinc/83/54/08/775835408.db2.gz KWTQCGPZBOKCOZ-ZJUUUORDSA-N 1 2 291.311 -1.125 20 0 CAADLO CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCS(=O)(=O)C2)[C@@H](O)C1 ZINC001083617759 775835727 /nfs/dbraw/zinc/83/57/27/775835727.db2.gz BBMOJHKWNMSTHG-MXWKQRLJSA-N 1 2 290.385 -1.008 20 0 CAADLO CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCS(=O)(=O)C2)[C@@H](O)C1 ZINC001083617759 775835732 /nfs/dbraw/zinc/83/57/32/775835732.db2.gz BBMOJHKWNMSTHG-MXWKQRLJSA-N 1 2 290.385 -1.008 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CC[C@H]1CNC(=O)c1cnc[nH]c1=O ZINC001038382432 775842099 /nfs/dbraw/zinc/84/20/99/775842099.db2.gz SPUSRNKDIILSIZ-YUMQZZPRSA-N 1 2 279.300 -1.140 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CC[C@H]1CNC(=O)c1cnc[nH]c1=O ZINC001038382432 775842116 /nfs/dbraw/zinc/84/21/16/775842116.db2.gz SPUSRNKDIILSIZ-YUMQZZPRSA-N 1 2 279.300 -1.140 20 0 CAADLO COCCn1cc(C(=O)NCC[NH2+]Cc2cnon2)nn1 ZINC001127056537 775844444 /nfs/dbraw/zinc/84/44/44/775844444.db2.gz BDOKDMYPNLXKJQ-UHFFFAOYSA-N 1 2 295.303 -1.173 20 0 CAADLO CC(=O)NCC(=O)NC[C@H](O)CNc1cc[nH+]c(C)n1 ZINC001105711618 775853346 /nfs/dbraw/zinc/85/33/46/775853346.db2.gz HFHNTUTYKLKHTQ-SNVBAGLBSA-N 1 2 281.316 -1.190 20 0 CAADLO Cc1nc(NC[C@H](O)CNC(=O)Cn2cnnn2)cc[nH+]1 ZINC001105715105 775854878 /nfs/dbraw/zinc/85/48/78/775854878.db2.gz LVIAJIBPWCLEIU-VIFPVBQESA-N 1 2 292.303 -1.639 20 0 CAADLO Cc1nc(NC[C@@H](O)CNC(=O)Cn2cnnn2)cc[nH+]1 ZINC001105715104 775854899 /nfs/dbraw/zinc/85/48/99/775854899.db2.gz LVIAJIBPWCLEIU-SECBINFHSA-N 1 2 292.303 -1.639 20 0 CAADLO C[C@H](CC(=O)NC(C(N)=O)C(N)=O)n1cc[nH+]c1 ZINC001127114669 775856370 /nfs/dbraw/zinc/85/63/70/775856370.db2.gz VQIRQNQLSIPUMI-ZCFIWIBFSA-N 1 2 253.262 -1.710 20 0 CAADLO Cc1nc(NC[C@H](O)CNC(=O)[C@H]2CCC(=O)N2)cc[nH+]1 ZINC001105751141 775857263 /nfs/dbraw/zinc/85/72/63/775857263.db2.gz WBFKJSLPOGBTCD-VHSXEESVSA-N 1 2 293.327 -1.047 20 0 CAADLO CNC(=O)CC(=O)NC[C@H](O)CNc1cc[nH+]c(C)n1 ZINC001105799081 775864707 /nfs/dbraw/zinc/86/47/07/775864707.db2.gz UAOXNZNOFCUXSW-SECBINFHSA-N 1 2 281.316 -1.190 20 0 CAADLO Cc1nc(NC[C@@H](O)CNC(=O)[C@@H]2COC(=O)N2)cc[nH+]1 ZINC001105832643 775865245 /nfs/dbraw/zinc/86/52/45/775865245.db2.gz FLHNWDJWVOABDI-BDAKNGLRSA-N 1 2 295.299 -1.218 20 0 CAADLO Cc1nc(NC[C@@H](O)CNC(=O)[C@H]2COC(=O)N2)cc[nH+]1 ZINC001105832646 775865591 /nfs/dbraw/zinc/86/55/91/775865591.db2.gz FLHNWDJWVOABDI-RKDXNWHRSA-N 1 2 295.299 -1.218 20 0 CAADLO Cc1nc(NC[C@H](O)CNC(=O)[C@@H]2COC(=O)N2)cc[nH+]1 ZINC001105832645 775865802 /nfs/dbraw/zinc/86/58/02/775865802.db2.gz FLHNWDJWVOABDI-IUCAKERBSA-N 1 2 295.299 -1.218 20 0 CAADLO Cc1nc(NC[C@H](O)CNC(=O)[C@H]2COC(=O)N2)cc[nH+]1 ZINC001105832644 775866166 /nfs/dbraw/zinc/86/61/66/775866166.db2.gz FLHNWDJWVOABDI-DTWKUNHWSA-N 1 2 295.299 -1.218 20 0 CAADLO Cc1nc(NC[C@@H](O)CNC(=O)[C@@H]2CCC(=O)N2)cc[nH+]1 ZINC001105922680 775871749 /nfs/dbraw/zinc/87/17/49/775871749.db2.gz WBFKJSLPOGBTCD-ZJUUUORDSA-N 1 2 293.327 -1.047 20 0 CAADLO Cc1nc(NC[C@H](O)CNC(=O)Cn2ncnn2)cc[nH+]1 ZINC001105975516 775873875 /nfs/dbraw/zinc/87/38/75/775873875.db2.gz XTOZENGZEYQXHS-VIFPVBQESA-N 1 2 292.303 -1.639 20 0 CAADLO C[C@@H]1[C@@H](NC(=O)[C@@]2(C)CCNC2=O)CC[N@@H+]1CC(N)=O ZINC001088854572 775877232 /nfs/dbraw/zinc/87/72/32/775877232.db2.gz UTMGASKMENOMMJ-ZDMBXUJBSA-N 1 2 282.344 -1.423 20 0 CAADLO C[C@@H]1[C@@H](NC(=O)[C@@]2(C)CCNC2=O)CC[N@H+]1CC(N)=O ZINC001088854572 775877239 /nfs/dbraw/zinc/87/72/39/775877239.db2.gz UTMGASKMENOMMJ-ZDMBXUJBSA-N 1 2 282.344 -1.423 20 0 CAADLO C[C@@H]1[C@@H](NC(=O)[C@]2(C)CCNC2=O)CC[N@@H+]1CC(N)=O ZINC001088854571 775877425 /nfs/dbraw/zinc/87/74/25/775877425.db2.gz UTMGASKMENOMMJ-VYUIOLGVSA-N 1 2 282.344 -1.423 20 0 CAADLO C[C@@H]1[C@@H](NC(=O)[C@]2(C)CCNC2=O)CC[N@H+]1CC(N)=O ZINC001088854571 775877431 /nfs/dbraw/zinc/87/74/31/775877431.db2.gz UTMGASKMENOMMJ-VYUIOLGVSA-N 1 2 282.344 -1.423 20 0 CAADLO Cc1nc(NC[C@@H](O)CNC(=O)[C@H]2CCNC2=O)cc[nH+]1 ZINC001106060119 775879591 /nfs/dbraw/zinc/87/95/91/775879591.db2.gz NWAUFBXIGYYXGZ-ZJUUUORDSA-N 1 2 293.327 -1.190 20 0 CAADLO Cc1nc(NC[C@H](O)CNC(=O)[C@@H]2CCNC2=O)cc[nH+]1 ZINC001106060118 775879746 /nfs/dbraw/zinc/87/97/46/775879746.db2.gz NWAUFBXIGYYXGZ-VHSXEESVSA-N 1 2 293.327 -1.190 20 0 CAADLO Cc1nc(NC[C@H](O)CNC(=O)[C@H]2CCNC2=O)cc[nH+]1 ZINC001106060117 775880288 /nfs/dbraw/zinc/88/02/88/775880288.db2.gz NWAUFBXIGYYXGZ-UWVGGRQHSA-N 1 2 293.327 -1.190 20 0 CAADLO Cc1nc(NC[C@H](O)CNC(=O)c2nnn(C)n2)cc[nH+]1 ZINC001106054087 775880337 /nfs/dbraw/zinc/88/03/37/775880337.db2.gz FRYQYGKUGKIKKL-QMMMGPOBSA-N 1 2 292.303 -1.489 20 0 CAADLO C[C@@H]1[C@@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)CC[N@@H+]1CC(N)=O ZINC001088888267 775880908 /nfs/dbraw/zinc/88/09/08/775880908.db2.gz HBFGJMJKGURPNS-CSMHCCOUSA-N 1 2 297.315 -2.351 20 0 CAADLO C[C@@H]1[C@@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)CC[N@H+]1CC(N)=O ZINC001088888267 775880913 /nfs/dbraw/zinc/88/09/13/775880913.db2.gz HBFGJMJKGURPNS-CSMHCCOUSA-N 1 2 297.315 -2.351 20 0 CAADLO C[N@@H+]1CCN(C(=O)C2CN(S(C)(=O)=O)C2)C[C@H]1CO ZINC000913555318 775881674 /nfs/dbraw/zinc/88/16/74/775881674.db2.gz AABPXXJUKNOLLU-JTQLQIEISA-N 1 2 291.373 -1.987 20 0 CAADLO C[N@H+]1CCN(C(=O)C2CN(S(C)(=O)=O)C2)C[C@H]1CO ZINC000913555318 775881679 /nfs/dbraw/zinc/88/16/79/775881679.db2.gz AABPXXJUKNOLLU-JTQLQIEISA-N 1 2 291.373 -1.987 20 0 CAADLO C[C@@H](O)C[NH+]1CC(NC(=O)[C@H]2CCCN(C(N)=O)C2)C1 ZINC001030634569 775883856 /nfs/dbraw/zinc/88/38/56/775883856.db2.gz NOZSVYDFOQCJLN-ZJUUUORDSA-N 1 2 284.360 -1.042 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2c[nH]nc2C)C1 ZINC001077484215 775886116 /nfs/dbraw/zinc/88/61/16/775886116.db2.gz RGAJYKMORXESHC-JMJZKYOTSA-N 1 2 295.343 -1.372 20 0 CAADLO CNC(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2c[nH]nc2C)C1 ZINC001077484215 775886119 /nfs/dbraw/zinc/88/61/19/775886119.db2.gz RGAJYKMORXESHC-JMJZKYOTSA-N 1 2 295.343 -1.372 20 0 CAADLO CC[C@@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2c[nH]nc2C)C1 ZINC001077484196 775886248 /nfs/dbraw/zinc/88/62/48/775886248.db2.gz QJNHPKJRTNYAFV-OUAUKWLOSA-N 1 2 295.343 -1.243 20 0 CAADLO CC[C@@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2c[nH]nc2C)C1 ZINC001077484196 775886254 /nfs/dbraw/zinc/88/62/54/775886254.db2.gz QJNHPKJRTNYAFV-OUAUKWLOSA-N 1 2 295.343 -1.243 20 0 CAADLO Cc1nc(NC[C@H](O)CNC(=O)C(N)=O)cc[nH+]1 ZINC001106097434 775889865 /nfs/dbraw/zinc/88/98/65/775889865.db2.gz HBDXDGRSYNFSKG-ZETCQYMHSA-N 1 2 253.262 -1.841 20 0 CAADLO CN(C)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCNC2=O)C1 ZINC001077506930 775896271 /nfs/dbraw/zinc/89/62/71/775896271.db2.gz PNRCERUNSRSUFD-IVZWLZJFSA-N 1 2 298.343 -2.628 20 0 CAADLO CN(C)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCNC2=O)C1 ZINC001077506930 775896281 /nfs/dbraw/zinc/89/62/81/775896281.db2.gz PNRCERUNSRSUFD-IVZWLZJFSA-N 1 2 298.343 -2.628 20 0 CAADLO Cc1nc(NC[C@@H](O)CNC(=O)[C@H]2C[C@H]2C(N)=O)cc[nH+]1 ZINC001106119607 775898919 /nfs/dbraw/zinc/89/89/19/775898919.db2.gz OUFSDQAYMHWFHW-BBBLOLIVSA-N 1 2 293.327 -1.205 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)c2c[nH]nc2C)[C@@H](O)C1 ZINC001083686926 775908553 /nfs/dbraw/zinc/90/85/53/775908553.db2.gz RGAJYKMORXESHC-IEBDPFPHSA-N 1 2 295.343 -1.372 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2c[nH]nc2C)[C@@H](O)C1 ZINC001083686926 775908560 /nfs/dbraw/zinc/90/85/60/775908560.db2.gz RGAJYKMORXESHC-IEBDPFPHSA-N 1 2 295.343 -1.372 20 0 CAADLO Cn1c(=O)[nH]cc1C(=O)N[C@@H]1C[N@H+](CCF)C[C@H]1O ZINC001077514520 775909082 /nfs/dbraw/zinc/90/90/82/775909082.db2.gz YWFDPZQSOWMYIY-VXNVDRBHSA-N 1 2 272.280 -1.130 20 0 CAADLO Cn1c(=O)[nH]cc1C(=O)N[C@@H]1C[N@@H+](CCF)C[C@H]1O ZINC001077514520 775909090 /nfs/dbraw/zinc/90/90/90/775909090.db2.gz YWFDPZQSOWMYIY-VXNVDRBHSA-N 1 2 272.280 -1.130 20 0 CAADLO C[C@@H]1C[C@H]1C(=O)N[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]1O ZINC001077515863 775909599 /nfs/dbraw/zinc/90/95/99/775909599.db2.gz QPMZBHNIGQAIOS-GWOFURMSSA-N 1 2 269.345 -1.108 20 0 CAADLO C[C@@H]1C[C@H]1C(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1O ZINC001077515863 775909608 /nfs/dbraw/zinc/90/96/08/775909608.db2.gz QPMZBHNIGQAIOS-GWOFURMSSA-N 1 2 269.345 -1.108 20 0 CAADLO O=C(NC[C@@H](O)C[NH2+]CCO)C(F)C(F)(F)F ZINC001272426551 775909936 /nfs/dbraw/zinc/90/99/36/775909936.db2.gz USOUHYYWWHUKDX-NTSWFWBYSA-N 1 2 262.203 -1.054 20 0 CAADLO O=C(NC[C@@H](O)C[NH2+]CCO)[C@@H](F)C(F)(F)F ZINC001272426551 775909948 /nfs/dbraw/zinc/90/99/48/775909948.db2.gz USOUHYYWWHUKDX-NTSWFWBYSA-N 1 2 262.203 -1.054 20 0 CAADLO CC[C@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)c2[nH]nnc2C)[C@@H](O)C1 ZINC001083692434 775911572 /nfs/dbraw/zinc/91/15/72/775911572.db2.gz NKVFVCRQLQYQSL-HLTSFMKQSA-N 1 2 296.331 -1.848 20 0 CAADLO CC[C@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)c2[nH]nnc2C)[C@@H](O)C1 ZINC001083692434 775911581 /nfs/dbraw/zinc/91/15/81/775911581.db2.gz NKVFVCRQLQYQSL-HLTSFMKQSA-N 1 2 296.331 -1.848 20 0 CAADLO Cn1c(=O)[nH]cc1C(=O)N[C@@H]1C[N@H+](CCF)C[C@@H]1O ZINC001083700032 775918017 /nfs/dbraw/zinc/91/80/17/775918017.db2.gz YWFDPZQSOWMYIY-APPZFPTMSA-N 1 2 272.280 -1.130 20 0 CAADLO Cn1c(=O)[nH]cc1C(=O)N[C@@H]1C[N@@H+](CCF)C[C@@H]1O ZINC001083700032 775918028 /nfs/dbraw/zinc/91/80/28/775918028.db2.gz YWFDPZQSOWMYIY-APPZFPTMSA-N 1 2 272.280 -1.130 20 0 CAADLO CC[C@H](F)C[N@H+]1C[C@@H](NC(=O)c2nnn(C)n2)[C@@H](O)C1 ZINC001083706283 775922234 /nfs/dbraw/zinc/92/22/34/775922234.db2.gz SYVGMIPMRVLLJG-YIZRAAEISA-N 1 2 286.311 -1.267 20 0 CAADLO CC[C@H](F)C[N@@H+]1C[C@@H](NC(=O)c2nnn(C)n2)[C@@H](O)C1 ZINC001083706283 775922244 /nfs/dbraw/zinc/92/22/44/775922244.db2.gz SYVGMIPMRVLLJG-YIZRAAEISA-N 1 2 286.311 -1.267 20 0 CAADLO CC(C)[C@H](CNC(=O)[C@H](C)N1CC[NH2+]CC1=O)ON ZINC001121993853 775926043 /nfs/dbraw/zinc/92/60/43/775926043.db2.gz FREAMAFTPPWICZ-UWVGGRQHSA-N 1 2 272.349 -1.162 20 0 CAADLO NC(=O)C(=O)NCC[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001060463518 775936032 /nfs/dbraw/zinc/93/60/32/775936032.db2.gz XEYLLOGBLDVHQP-VIFPVBQESA-N 1 2 293.327 -1.208 20 0 CAADLO CC[C@H](F)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2nnn(C)n2)C1 ZINC001077526636 775937289 /nfs/dbraw/zinc/93/72/89/775937289.db2.gz SYVGMIPMRVLLJG-DJLDLDEBSA-N 1 2 286.311 -1.267 20 0 CAADLO CC[C@H](F)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2nnn(C)n2)C1 ZINC001077526636 775937297 /nfs/dbraw/zinc/93/72/97/775937297.db2.gz SYVGMIPMRVLLJG-DJLDLDEBSA-N 1 2 286.311 -1.267 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)[C@@H](O)C1 ZINC001083711283 775937841 /nfs/dbraw/zinc/93/78/41/775937841.db2.gz BYFLRYSIJUQHCA-ZSOJELSESA-N 1 2 297.355 -1.825 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)[C@@H](O)C1 ZINC001083711283 775937847 /nfs/dbraw/zinc/93/78/47/775937847.db2.gz BYFLRYSIJUQHCA-ZSOJELSESA-N 1 2 297.355 -1.825 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)[C@@H](O)C1 ZINC001083711505 775938282 /nfs/dbraw/zinc/93/82/82/775938282.db2.gz LZAMTMRYTLORJQ-JYRVZRIJSA-N 1 2 283.328 -2.086 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)[C@@H](O)C1 ZINC001083711505 775938289 /nfs/dbraw/zinc/93/82/89/775938289.db2.gz LZAMTMRYTLORJQ-JYRVZRIJSA-N 1 2 283.328 -2.086 20 0 CAADLO CNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)[C@@H](O)C1 ZINC001083711282 775938611 /nfs/dbraw/zinc/93/86/11/775938611.db2.gz BYFLRYSIJUQHCA-IXAFYFBPSA-N 1 2 297.355 -1.825 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)[C@@H](O)C1 ZINC001083711282 775938622 /nfs/dbraw/zinc/93/86/22/775938622.db2.gz BYFLRYSIJUQHCA-IXAFYFBPSA-N 1 2 297.355 -1.825 20 0 CAADLO CN(C)C(=O)C[N@H+]1C[C@@H](NC(=O)Cc2cnoc2)[C@@H](O)C1 ZINC001083720331 775942878 /nfs/dbraw/zinc/94/28/78/775942878.db2.gz WKZPTDILLBLILP-MNOVXSKESA-N 1 2 296.327 -1.533 20 0 CAADLO CN(C)C(=O)C[N@@H+]1C[C@@H](NC(=O)Cc2cnoc2)[C@@H](O)C1 ZINC001083720331 775942889 /nfs/dbraw/zinc/94/28/89/775942889.db2.gz WKZPTDILLBLILP-MNOVXSKESA-N 1 2 296.327 -1.533 20 0 CAADLO O=C(Cc1cnoc1)N[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@@H]1O ZINC001083719937 775943075 /nfs/dbraw/zinc/94/30/75/775943075.db2.gz COGRRIRRWFJWJU-VWYCJHECSA-N 1 2 294.311 -1.733 20 0 CAADLO O=C(Cc1cnoc1)N[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@@H]1O ZINC001083719937 775943086 /nfs/dbraw/zinc/94/30/86/775943086.db2.gz COGRRIRRWFJWJU-VWYCJHECSA-N 1 2 294.311 -1.733 20 0 CAADLO CO[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@H]1NC(=O)CC(C)(C)O ZINC001212199076 775943741 /nfs/dbraw/zinc/94/37/41/775943741.db2.gz PHXPYGHFLZCPBB-GMTAPVOTSA-N 1 2 299.371 -1.149 20 0 CAADLO CO[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@H]1NC(=O)CC(C)(C)O ZINC001212199076 775943755 /nfs/dbraw/zinc/94/37/55/775943755.db2.gz PHXPYGHFLZCPBB-GMTAPVOTSA-N 1 2 299.371 -1.149 20 0 CAADLO CC[C@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)Cc2cnoc2)[C@@H](O)C1 ZINC001083720893 775944696 /nfs/dbraw/zinc/94/46/96/775944696.db2.gz ZBBATRXMQNXUIZ-MXWKQRLJSA-N 1 2 296.327 -1.358 20 0 CAADLO CC[C@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)Cc2cnoc2)[C@@H](O)C1 ZINC001083720893 775944710 /nfs/dbraw/zinc/94/47/10/775944710.db2.gz ZBBATRXMQNXUIZ-MXWKQRLJSA-N 1 2 296.327 -1.358 20 0 CAADLO CNC(=O)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C(N)=O ZINC001099202330 775948119 /nfs/dbraw/zinc/94/81/19/775948119.db2.gz ABULGYYTJXPFMB-VIFPVBQESA-N 1 2 284.360 -1.176 20 0 CAADLO CNC(=O)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C(N)=O ZINC001099202330 775948124 /nfs/dbraw/zinc/94/81/24/775948124.db2.gz ABULGYYTJXPFMB-VIFPVBQESA-N 1 2 284.360 -1.176 20 0 CAADLO CN1CC[C@@H](C(=O)N[C@@H]2C[N@H+](CCF)C[C@H]2O)C1=O ZINC001077534500 775949213 /nfs/dbraw/zinc/94/92/13/775949213.db2.gz ZTOSGDPVLOUKRF-IVZWLZJFSA-N 1 2 273.308 -1.405 20 0 CAADLO CN1CC[C@@H](C(=O)N[C@@H]2C[N@@H+](CCF)C[C@H]2O)C1=O ZINC001077534500 775949221 /nfs/dbraw/zinc/94/92/21/775949221.db2.gz ZTOSGDPVLOUKRF-IVZWLZJFSA-N 1 2 273.308 -1.405 20 0 CAADLO CC[C@@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001077535123 775951196 /nfs/dbraw/zinc/95/11/96/775951196.db2.gz SSZBWIDCSZCFCO-OWSRUXPGSA-N 1 2 297.355 -1.696 20 0 CAADLO CC[C@@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001077535123 775951210 /nfs/dbraw/zinc/95/12/10/775951210.db2.gz SSZBWIDCSZCFCO-OWSRUXPGSA-N 1 2 297.355 -1.696 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001077534851 775951354 /nfs/dbraw/zinc/95/13/54/775951354.db2.gz LZAMTMRYTLORJQ-HGQQYVGVSA-N 1 2 283.328 -2.086 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001077534851 775951365 /nfs/dbraw/zinc/95/13/65/775951365.db2.gz LZAMTMRYTLORJQ-HGQQYVGVSA-N 1 2 283.328 -2.086 20 0 CAADLO CO[C@@H]1CN(CC(N)=O)C[C@H]1NC(=O)CCc1[nH]cc[nH+]1 ZINC001212201029 775952152 /nfs/dbraw/zinc/95/21/52/775952152.db2.gz MFBISDXJKJEGEM-NXEZZACHSA-N 1 2 295.343 -1.357 20 0 CAADLO CC(=O)NC(C)(C)C(=O)NCCC[NH2+]Cc1nnn(C)n1 ZINC001168481341 775952605 /nfs/dbraw/zinc/95/26/05/775952605.db2.gz TVOZBNIXEKXCLW-UHFFFAOYSA-N 1 2 297.363 -1.279 20 0 CAADLO CS(=O)(=O)CC(=O)N[C@]12CCC[C@H]1C[N@H+](CCO)C2 ZINC001111630950 775953952 /nfs/dbraw/zinc/95/39/52/775953952.db2.gz YDUDETFQQMVCOP-JQWIXIFHSA-N 1 2 290.385 -1.006 20 0 CAADLO CS(=O)(=O)CC(=O)N[C@]12CCC[C@H]1C[N@@H+](CCO)C2 ZINC001111630950 775953963 /nfs/dbraw/zinc/95/39/63/775953963.db2.gz YDUDETFQQMVCOP-JQWIXIFHSA-N 1 2 290.385 -1.006 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001077537646 775954680 /nfs/dbraw/zinc/95/46/80/775954680.db2.gz BYFLRYSIJUQHCA-WGWHJZDNSA-N 1 2 297.355 -1.825 20 0 CAADLO CNC(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001077537646 775954688 /nfs/dbraw/zinc/95/46/88/775954688.db2.gz BYFLRYSIJUQHCA-WGWHJZDNSA-N 1 2 297.355 -1.825 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CC[C@@](C)(NC(=O)c2cnn(C)n2)C1 ZINC001046701580 775956676 /nfs/dbraw/zinc/95/66/76/775956676.db2.gz DUHZVQRFLRNVHD-PRHODGIISA-N 1 2 280.332 -1.117 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CC[C@@](C)(NC(=O)c2cnn(C)n2)C1 ZINC001046701580 775956684 /nfs/dbraw/zinc/95/66/84/775956684.db2.gz DUHZVQRFLRNVHD-PRHODGIISA-N 1 2 280.332 -1.117 20 0 CAADLO C[C@@H]1C[C@H]1C(=O)NCC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001122966222 775957133 /nfs/dbraw/zinc/95/71/33/775957133.db2.gz POCVNXZNYQOYCX-HTQZYQBOSA-N 1 2 253.306 -1.030 20 0 CAADLO C[C@H]1C[C@@H]1C(=O)NCC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001122966225 775957163 /nfs/dbraw/zinc/95/71/63/775957163.db2.gz POCVNXZNYQOYCX-YUMQZZPRSA-N 1 2 253.306 -1.030 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CC[C@](C)(NC(=O)c2cnn(C)n2)C1 ZINC001046701577 775957267 /nfs/dbraw/zinc/95/72/67/775957267.db2.gz DUHZVQRFLRNVHD-PELKAZGASA-N 1 2 280.332 -1.117 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CC[C@](C)(NC(=O)c2cnn(C)n2)C1 ZINC001046701577 775957277 /nfs/dbraw/zinc/95/72/77/775957277.db2.gz DUHZVQRFLRNVHD-PELKAZGASA-N 1 2 280.332 -1.117 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CC[C@](C)(NC(=O)c2cnn(C)n2)C1 ZINC001046701585 775957385 /nfs/dbraw/zinc/95/73/85/775957385.db2.gz DUHZVQRFLRNVHD-UFBFGSQYSA-N 1 2 280.332 -1.117 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CC[C@](C)(NC(=O)c2cnn(C)n2)C1 ZINC001046701585 775957392 /nfs/dbraw/zinc/95/73/92/775957392.db2.gz DUHZVQRFLRNVHD-UFBFGSQYSA-N 1 2 280.332 -1.117 20 0 CAADLO C[C@H]1C[C@H]1C(=O)NCC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001122966223 775957436 /nfs/dbraw/zinc/95/74/36/775957436.db2.gz POCVNXZNYQOYCX-JGVFFNPUSA-N 1 2 253.306 -1.030 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CC[C@@](C)(NC(=O)c2cnn(C)n2)C1 ZINC001046701582 775957486 /nfs/dbraw/zinc/95/74/86/775957486.db2.gz DUHZVQRFLRNVHD-QPUJVOFHSA-N 1 2 280.332 -1.117 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CC[C@@](C)(NC(=O)c2cnn(C)n2)C1 ZINC001046701582 775957495 /nfs/dbraw/zinc/95/74/95/775957495.db2.gz DUHZVQRFLRNVHD-QPUJVOFHSA-N 1 2 280.332 -1.117 20 0 CAADLO Cn1[nH]c(C[NH2+]CCNC(=O)c2cnccn2)nc1=O ZINC001122828004 775957932 /nfs/dbraw/zinc/95/79/32/775957932.db2.gz WPYGVUOKNFINAE-UHFFFAOYSA-N 1 2 277.288 -1.582 20 0 CAADLO COCc1noc(C[NH2+]CCNC(=O)[C@H](C)NC(C)=O)n1 ZINC001123071325 775960865 /nfs/dbraw/zinc/96/08/65/775960865.db2.gz CITORVVPRIFIEE-QMMMGPOBSA-N 1 2 299.331 -1.054 20 0 CAADLO CO[C@@H]1C[N@@H+]([C@@H](C)C(N)=O)C[C@H]1NC(=O)CC(C)(C)O ZINC001212205933 775961275 /nfs/dbraw/zinc/96/12/75/775961275.db2.gz BFDWNQFWKKIRSB-IVZWLZJFSA-N 1 2 287.360 -1.163 20 0 CAADLO CO[C@@H]1C[N@H+]([C@@H](C)C(N)=O)C[C@H]1NC(=O)CC(C)(C)O ZINC001212205933 775961283 /nfs/dbraw/zinc/96/12/83/775961283.db2.gz BFDWNQFWKKIRSB-IVZWLZJFSA-N 1 2 287.360 -1.163 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CC[C@@H]1CN(C)C(=O)C(C)(C)C(N)=O ZINC001235590101 775962466 /nfs/dbraw/zinc/96/24/66/775962466.db2.gz XBYXOJVWWSHRLP-RKDXNWHRSA-N 1 2 284.360 -1.096 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CC[C@@H]1CN(C)C(=O)C(C)(C)C(N)=O ZINC001235590101 775962475 /nfs/dbraw/zinc/96/24/75/775962475.db2.gz XBYXOJVWWSHRLP-RKDXNWHRSA-N 1 2 284.360 -1.096 20 0 CAADLO O=C(Cn1cnnn1)NCC[NH2+]Cc1nc(C2CC2)no1 ZINC001123312593 775965830 /nfs/dbraw/zinc/96/58/30/775965830.db2.gz IBBZXFYQBYUJFW-UHFFFAOYSA-N 1 2 292.303 -1.161 20 0 CAADLO O=C(N[C@@H]1C[N@@H+](C/C=C\Cl)C[C@@H]1O)[C@H]1CNC(=O)N1 ZINC001083740577 775966936 /nfs/dbraw/zinc/96/69/36/775966936.db2.gz ICHXMBZRISFUIH-BAHHFAJJSA-N 1 2 288.735 -1.418 20 0 CAADLO O=C(N[C@@H]1C[N@H+](C/C=C\Cl)C[C@@H]1O)[C@H]1CNC(=O)N1 ZINC001083740577 775966942 /nfs/dbraw/zinc/96/69/42/775966942.db2.gz ICHXMBZRISFUIH-BAHHFAJJSA-N 1 2 288.735 -1.418 20 0 CAADLO O=C(N[C@@H]1C[N@@H+](C/C=C\Cl)C[C@@H]1O)[C@@H]1CNC(=O)N1 ZINC001083740580 775967101 /nfs/dbraw/zinc/96/71/01/775967101.db2.gz ICHXMBZRISFUIH-SEJLYQOQSA-N 1 2 288.735 -1.418 20 0 CAADLO O=C(N[C@@H]1C[N@H+](C/C=C\Cl)C[C@@H]1O)[C@@H]1CNC(=O)N1 ZINC001083740580 775967107 /nfs/dbraw/zinc/96/71/07/775967107.db2.gz ICHXMBZRISFUIH-SEJLYQOQSA-N 1 2 288.735 -1.418 20 0 CAADLO O=C(N[C@@H]1C[N@@H+](C/C=C/Cl)C[C@@H]1O)[C@H]1CNC(=O)N1 ZINC001083740578 775968041 /nfs/dbraw/zinc/96/80/41/775968041.db2.gz ICHXMBZRISFUIH-FINDFIAGSA-N 1 2 288.735 -1.418 20 0 CAADLO O=C(N[C@@H]1C[N@H+](C/C=C/Cl)C[C@@H]1O)[C@H]1CNC(=O)N1 ZINC001083740578 775968048 /nfs/dbraw/zinc/96/80/48/775968048.db2.gz ICHXMBZRISFUIH-FINDFIAGSA-N 1 2 288.735 -1.418 20 0 CAADLO Cn1c[nH+]cc1CN1C[C@@H](NC(=O)C(N)=O)[C@@H](O)C1 ZINC001083743743 775968988 /nfs/dbraw/zinc/96/89/88/775968988.db2.gz FOSUHKFPXNBOPO-BDAKNGLRSA-N 1 2 267.289 -2.433 20 0 CAADLO Cc1ccc(C[N@H+]2C[C@@H](NC(=O)C(N)=O)[C@@H](O)C2)c(C)n1 ZINC001083743715 775969395 /nfs/dbraw/zinc/96/93/95/775969395.db2.gz DHRLSQKMGFHRMB-NEPJUHHUSA-N 1 2 292.339 -1.155 20 0 CAADLO Cc1ccc(C[N@@H+]2C[C@@H](NC(=O)C(N)=O)[C@@H](O)C2)c(C)n1 ZINC001083743715 775969402 /nfs/dbraw/zinc/96/94/02/775969402.db2.gz DHRLSQKMGFHRMB-NEPJUHHUSA-N 1 2 292.339 -1.155 20 0 CAADLO NC(=O)C(=O)N[C@@H]1C[N@H+](Cc2ccc(F)cc2)C[C@@H]1O ZINC001083743812 775970071 /nfs/dbraw/zinc/97/00/71/775970071.db2.gz IXHPAXZIZKLOON-MNOVXSKESA-N 1 2 281.287 -1.028 20 0 CAADLO NC(=O)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(F)cc2)C[C@@H]1O ZINC001083743812 775970078 /nfs/dbraw/zinc/97/00/78/775970078.db2.gz IXHPAXZIZKLOON-MNOVXSKESA-N 1 2 281.287 -1.028 20 0 CAADLO Cc1cncc(C[N@H+]2C[C@@H](NC(=O)C(N)=O)[C@@H](O)C2)c1 ZINC001083744123 775970468 /nfs/dbraw/zinc/97/04/68/775970468.db2.gz XXKGHPLNEVVLCB-MNOVXSKESA-N 1 2 278.312 -1.463 20 0 CAADLO Cc1cncc(C[N@@H+]2C[C@@H](NC(=O)C(N)=O)[C@@H](O)C2)c1 ZINC001083744123 775970475 /nfs/dbraw/zinc/97/04/75/775970475.db2.gz XXKGHPLNEVVLCB-MNOVXSKESA-N 1 2 278.312 -1.463 20 0 CAADLO CN1CCC[C@H]([N@H+]2C[C@@H](NC(=O)C(N)=O)[C@@H](O)C2)C1=O ZINC001083744037 775970496 /nfs/dbraw/zinc/97/04/96/775970496.db2.gz TVIZPANHSCNXBF-VGMNWLOBSA-N 1 2 284.316 -2.746 20 0 CAADLO CN1CCC[C@H]([N@@H+]2C[C@@H](NC(=O)C(N)=O)[C@@H](O)C2)C1=O ZINC001083744037 775970503 /nfs/dbraw/zinc/97/05/03/775970503.db2.gz TVIZPANHSCNXBF-VGMNWLOBSA-N 1 2 284.316 -2.746 20 0 CAADLO NC(=O)C(=O)N[C@@H]1C[N@H+](Cc2cccnc2)C[C@@H]1O ZINC001083744013 775970519 /nfs/dbraw/zinc/97/05/19/775970519.db2.gz RUDKAXRVHFLPKD-ZJUUUORDSA-N 1 2 264.285 -1.772 20 0 CAADLO NC(=O)C(=O)N[C@@H]1C[N@@H+](Cc2cccnc2)C[C@@H]1O ZINC001083744013 775970527 /nfs/dbraw/zinc/97/05/27/775970527.db2.gz RUDKAXRVHFLPKD-ZJUUUORDSA-N 1 2 264.285 -1.772 20 0 CAADLO NC(=O)C(=O)N[C@@H]1C[N@H+](CCO[C@H]2CC2(F)F)C[C@@H]1O ZINC001083744496 775972681 /nfs/dbraw/zinc/97/26/81/775972681.db2.gz PNBJBCYUSRZBBG-CSMHCCOUSA-N 1 2 293.270 -1.943 20 0 CAADLO NC(=O)C(=O)N[C@@H]1C[N@@H+](CCO[C@H]2CC2(F)F)C[C@@H]1O ZINC001083744496 775972693 /nfs/dbraw/zinc/97/26/93/775972693.db2.gz PNBJBCYUSRZBBG-CSMHCCOUSA-N 1 2 293.270 -1.943 20 0 CAADLO CN1CC(C(=O)N[C@@H]2C[N@H+](CCCO)C[C@@H]2O)=NC1=O ZINC001083752827 775975035 /nfs/dbraw/zinc/97/50/35/775975035.db2.gz NGIRZLYRAHLYCU-SCZZXKLOSA-N 1 2 284.316 -1.717 20 0 CAADLO CN1CC(C(=O)N[C@@H]2C[N@@H+](CCCO)C[C@@H]2O)=NC1=O ZINC001083752827 775975046 /nfs/dbraw/zinc/97/50/46/775975046.db2.gz NGIRZLYRAHLYCU-SCZZXKLOSA-N 1 2 284.316 -1.717 20 0 CAADLO Cc1ccnc(C[NH2+]CCNC(=O)Cn2ncnn2)n1 ZINC001127433050 775979098 /nfs/dbraw/zinc/97/90/98/775979098.db2.gz CCAPKXIEXWTELD-UHFFFAOYSA-N 1 2 276.304 -1.322 20 0 CAADLO COCc1noc(C[NH2+]CCNC(=O)Cn2ncnn2)n1 ZINC001127433241 775979308 /nfs/dbraw/zinc/97/93/08/775979308.db2.gz JHJGULSJNDCCNY-UHFFFAOYSA-N 1 2 296.291 -1.892 20 0 CAADLO CCCc1noc(C[NH2+]CCNC(=O)Cn2ncnn2)n1 ZINC001127432974 775979328 /nfs/dbraw/zinc/97/93/28/775979328.db2.gz AUVCHKAZWLWYPM-UHFFFAOYSA-N 1 2 294.319 -1.085 20 0 CAADLO CCc1nnc(C[NH2+]CCNC(=O)Cn2ncnn2)o1 ZINC001127433169 775979817 /nfs/dbraw/zinc/97/98/17/775979817.db2.gz HKTXKBRVSKKBFW-UHFFFAOYSA-N 1 2 280.292 -1.476 20 0 CAADLO Cc1nonc1C[NH2+]CCNC(=O)Cn1ncnn1 ZINC001127433327 775979846 /nfs/dbraw/zinc/97/98/46/775979846.db2.gz LXTFRUFPVJANSC-UHFFFAOYSA-N 1 2 266.265 -1.729 20 0 CAADLO C[C@H](O)C[NH+]1CC(NC(=O)c2cn(C)c(=O)n2C)C1 ZINC001031449265 775980363 /nfs/dbraw/zinc/98/03/63/775980363.db2.gz VVOFVPRJDUWXIX-QMMMGPOBSA-N 1 2 268.317 -1.481 20 0 CAADLO O=C(Cn1ncnn1)NCC[NH2+]Cc1ncccn1 ZINC001127433994 775981484 /nfs/dbraw/zinc/98/14/84/775981484.db2.gz ZUNSVPWYZYNKBP-UHFFFAOYSA-N 1 2 262.277 -1.631 20 0 CAADLO Cn1[nH]c(C[NH2+]CCNC(=O)Cn2ncnn2)nc1=O ZINC001127433893 775981506 /nfs/dbraw/zinc/98/15/06/775981506.db2.gz YXRARNFQDKBZHO-UHFFFAOYSA-N 1 2 281.280 -2.999 20 0 CAADLO O=C(Cn1ncnn1)NCC[NH2+]Cc1cnon1 ZINC001127438376 775981941 /nfs/dbraw/zinc/98/19/41/775981941.db2.gz PPLGMKWQVFVDRO-UHFFFAOYSA-N 1 2 252.238 -2.038 20 0 CAADLO C[C@H]([NH2+]CCNC(=O)Cn1ncnn1)c1csnn1 ZINC001127438433 775982766 /nfs/dbraw/zinc/98/27/66/775982766.db2.gz QZJFKIGXDBWIEU-ZETCQYMHSA-N 1 2 282.333 -1.008 20 0 CAADLO Cc1noc([C@H](C)[NH2+]CCNC(=O)Cn2ncnn2)n1 ZINC001127449726 775984878 /nfs/dbraw/zinc/98/48/78/775984878.db2.gz QKUCXDLFAAKSRF-ZETCQYMHSA-N 1 2 280.292 -1.168 20 0 CAADLO Cc1nc(N2CCCO[C@H](CNC(=O)C(N)=O)C2)cc[nH+]1 ZINC001089556189 775988718 /nfs/dbraw/zinc/98/87/18/775988718.db2.gz ZQGQMSPKPJZJSL-SNVBAGLBSA-N 1 2 293.327 -1.018 20 0 CAADLO CC(=O)N(C)[C@H]1C[N@H+](CC(=O)N2CCOCC2)C[C@@H]1O ZINC001047270213 775991851 /nfs/dbraw/zinc/99/18/51/775991851.db2.gz XVUXJDOSVGUWRB-RYUDHWBXSA-N 1 2 285.344 -1.631 20 0 CAADLO CC(=O)N(C)[C@H]1C[N@@H+](CC(=O)N2CCOCC2)C[C@@H]1O ZINC001047270213 775991861 /nfs/dbraw/zinc/99/18/61/775991861.db2.gz XVUXJDOSVGUWRB-RYUDHWBXSA-N 1 2 285.344 -1.631 20 0 CAADLO Cn1[nH]c(C[NH2+]CCNC(=O)CNC(=O)C2CC2)nc1=O ZINC001124084349 775992021 /nfs/dbraw/zinc/99/20/21/775992021.db2.gz KTIHLXWDQKMKEA-UHFFFAOYSA-N 1 2 296.331 -2.160 20 0 CAADLO Cc1nnc(C[NH2+]CCNC(=O)CS(C)(=O)=O)[nH]1 ZINC001124362078 775999263 /nfs/dbraw/zinc/99/92/63/775999263.db2.gz HSJISGBGYFZNAL-UHFFFAOYSA-N 1 2 275.334 -1.636 20 0 CAADLO Cn1ncnc1C[NH2+]CCNC(=O)CS(C)(=O)=O ZINC001124362475 775999741 /nfs/dbraw/zinc/99/97/41/775999741.db2.gz MTCIFPCJUYVELL-UHFFFAOYSA-N 1 2 275.334 -1.935 20 0 CAADLO Cn1[nH]c(C[NH2+]CCNC(=O)CS(C)(=O)=O)nc1=O ZINC001124362402 776000347 /nfs/dbraw/zinc/00/03/47/776000347.db2.gz LGKSZXABTXZBOE-UHFFFAOYSA-N 1 2 291.333 -2.641 20 0 CAADLO CS(=O)(=O)CC(=O)NCC[NH2+]Cc1ncccn1 ZINC001124362479 776000465 /nfs/dbraw/zinc/00/04/65/776000465.db2.gz MZBALTUQVZTHRN-UHFFFAOYSA-N 1 2 272.330 -1.273 20 0 CAADLO Cc1nonc1C[NH2+]CCNC(=O)CS(C)(=O)=O ZINC001124361767 776000582 /nfs/dbraw/zinc/00/05/82/776000582.db2.gz BHRIPXOAALQQDB-UHFFFAOYSA-N 1 2 276.318 -1.372 20 0 CAADLO CCN(CCNc1nc(N(C)C)nc(C)[nH+]1)C(=O)C(N)=O ZINC001106943563 776001524 /nfs/dbraw/zinc/00/15/24/776001524.db2.gz QBQDBWMBBMXQDY-UHFFFAOYSA-N 1 2 295.347 -1.008 20 0 CAADLO CN(C(=O)[C@H]1CCOC1)[C@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@@H]1O ZINC001047400868 776001909 /nfs/dbraw/zinc/00/19/09/776001909.db2.gz MNVOVQGZUMJNNK-USZNOCQGSA-N 1 2 297.355 -1.585 20 0 CAADLO CN(C(=O)[C@H]1CCOC1)[C@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@@H]1O ZINC001047400868 776001913 /nfs/dbraw/zinc/00/19/13/776001913.db2.gz MNVOVQGZUMJNNK-USZNOCQGSA-N 1 2 297.355 -1.585 20 0 CAADLO CC[C@H](C(N)=O)[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCOC2)C1 ZINC001047400671 776003028 /nfs/dbraw/zinc/00/30/28/776003028.db2.gz HVLYNUIIRDCXJL-USZNOCQGSA-N 1 2 299.371 -1.210 20 0 CAADLO CC[C@H](C(N)=O)[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCOC2)C1 ZINC001047400671 776003033 /nfs/dbraw/zinc/00/30/33/776003033.db2.gz HVLYNUIIRDCXJL-USZNOCQGSA-N 1 2 299.371 -1.210 20 0 CAADLO C[C@@H](CCNC(=O)CCn1cc[nH+]c1)NC(=O)C(N)=O ZINC001077573566 776003065 /nfs/dbraw/zinc/00/30/65/776003065.db2.gz LICAZUDQXBGLLM-VIFPVBQESA-N 1 2 281.316 -1.231 20 0 CAADLO Cn1[nH]c(C[NH2+]CCNC(=O)[C@H]2CCOC2)nc1=O ZINC001124496243 776004375 /nfs/dbraw/zinc/00/43/75/776004375.db2.gz ZDOJSFXLARBYQN-QMMMGPOBSA-N 1 2 269.305 -1.649 20 0 CAADLO CO[C@@H](C)CC(=O)NCC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001124595272 776006918 /nfs/dbraw/zinc/00/69/18/776006918.db2.gz XQTUCGHCEUQLBI-QMMMGPOBSA-N 1 2 271.321 -1.261 20 0 CAADLO Cn1c(C(=O)NC[C@@H]2CC[N@@H+]2[C@@H]2CCNC2=O)c[nH]c1=O ZINC001038599526 776008817 /nfs/dbraw/zinc/00/88/17/776008817.db2.gz JHYGVYCJXPVWMK-DTWKUNHWSA-N 1 2 293.327 -1.182 20 0 CAADLO Cn1c(C(=O)NC[C@@H]2CC[N@H+]2[C@@H]2CCNC2=O)c[nH]c1=O ZINC001038599526 776008827 /nfs/dbraw/zinc/00/88/27/776008827.db2.gz JHYGVYCJXPVWMK-DTWKUNHWSA-N 1 2 293.327 -1.182 20 0 CAADLO CCOCCC(=O)NCC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001124691045 776009911 /nfs/dbraw/zinc/00/99/11/776009911.db2.gz MVUBICGCWXXZOW-UHFFFAOYSA-N 1 2 271.321 -1.259 20 0 CAADLO COCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2[nH]nnc2C)C1 ZINC001047479865 776010080 /nfs/dbraw/zinc/01/00/80/776010080.db2.gz BOPVTJBBBRYEQJ-UWVGGRQHSA-N 1 2 283.332 -1.123 20 0 CAADLO COCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2[nH]nnc2C)C1 ZINC001047479865 776010088 /nfs/dbraw/zinc/01/00/88/776010088.db2.gz BOPVTJBBBRYEQJ-UWVGGRQHSA-N 1 2 283.332 -1.123 20 0 CAADLO Cc1nc(NC[C@@H](O)CN(C)C(=O)C(N)=O)cc[nH+]1 ZINC001124704308 776011023 /nfs/dbraw/zinc/01/10/23/776011023.db2.gz NVSWZUAOEJACMX-MRVPVSSYSA-N 1 2 267.289 -1.498 20 0 CAADLO Cc1nc(NC[C@H](O)CN(C)C(=O)C(N)=O)cc[nH+]1 ZINC001124704310 776011920 /nfs/dbraw/zinc/01/19/20/776011920.db2.gz NVSWZUAOEJACMX-QMMMGPOBSA-N 1 2 267.289 -1.498 20 0 CAADLO CC(=O)N1CC[NH+](C[C@H](O)CN2C(=O)CCC2=O)CC1 ZINC001099547450 776012063 /nfs/dbraw/zinc/01/20/63/776012063.db2.gz VFKHHRZOUYKBMC-NSHDSACASA-N 1 2 283.328 -1.340 20 0 CAADLO Cn1[nH]c(C[NH2+]CCNC(=O)[C@H]2CCC(=O)N2)nc1=O ZINC001124805297 776013940 /nfs/dbraw/zinc/01/39/40/776013940.db2.gz XKOMZLSKHCHLFD-SSDOTTSWSA-N 1 2 282.304 -2.407 20 0 CAADLO C[C@@H]1CCC[N@@H+]1CC(=O)N[C@@H]1C[NH+](CCO)C[C@@H]1O ZINC001083779508 776014552 /nfs/dbraw/zinc/01/45/52/776014552.db2.gz GAVBPTKEMMQPLL-UTUOFQBUSA-N 1 2 271.361 -1.376 20 0 CAADLO C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1C[NH+](CCO)C[C@@H]1O ZINC001083779508 776014564 /nfs/dbraw/zinc/01/45/64/776014564.db2.gz GAVBPTKEMMQPLL-UTUOFQBUSA-N 1 2 271.361 -1.376 20 0 CAADLO CCC(=O)NCC(=O)NCC[NH2+]Cc1cnon1 ZINC001124861007 776016707 /nfs/dbraw/zinc/01/67/07/776016707.db2.gz AYUBVTJBONYYSQ-UHFFFAOYSA-N 1 2 255.278 -1.198 20 0 CAADLO Cn1[nH]c(C[NH2+]CCNC(=O)C(=O)C(C)(C)C)nc1=O ZINC001124976927 776019579 /nfs/dbraw/zinc/01/95/79/776019579.db2.gz NOBJHYXWFVKESC-UHFFFAOYSA-N 1 2 283.332 -1.071 20 0 CAADLO CCc1nnc(C[NH2+]CCNC(=O)CC(N)=O)o1 ZINC001125080629 776020955 /nfs/dbraw/zinc/02/09/55/776020955.db2.gz SFZWJVVNUPVCID-UHFFFAOYSA-N 1 2 255.278 -1.287 20 0 CAADLO Cc1n[nH]c(C(=O)NCC[NH2+]CC(=O)NC(N)=O)c1C ZINC001125039678 776021724 /nfs/dbraw/zinc/02/17/24/776021724.db2.gz ONZYQTATVXQDAG-UHFFFAOYSA-N 1 2 282.304 -1.459 20 0 CAADLO NC(=O)CC(=O)NCC[NH2+]Cc1cc(=O)n2[nH]ccc2n1 ZINC001125079641 776023586 /nfs/dbraw/zinc/02/35/86/776023586.db2.gz DEQIBKYQNUHURD-UHFFFAOYSA-N 1 2 292.299 -1.896 20 0 CAADLO Cn1[nH]c(C[NH2+]CCNC(=O)C[C@@H]2CCOC2)nc1=O ZINC001125118118 776027912 /nfs/dbraw/zinc/02/79/12/776027912.db2.gz CYNFUUHPIGGLMJ-VIFPVBQESA-N 1 2 283.332 -1.259 20 0 CAADLO NC(=O)C(=O)NCC1(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001299228366 776032128 /nfs/dbraw/zinc/03/21/28/776032128.db2.gz GQJBLPCWGLCDBZ-HTQZYQBOSA-N 1 2 291.311 -1.237 20 0 CAADLO NC(=O)C(=O)NCC1(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001299228366 776032131 /nfs/dbraw/zinc/03/21/31/776032131.db2.gz GQJBLPCWGLCDBZ-HTQZYQBOSA-N 1 2 291.311 -1.237 20 0 CAADLO CCOCC(=O)NCc1cn(C2C[NH+](CCO)C2)nn1 ZINC001107123231 776033608 /nfs/dbraw/zinc/03/36/08/776033608.db2.gz BYUBEUNUVJMCFJ-UHFFFAOYSA-N 1 2 283.332 -1.220 20 0 CAADLO NC(=O)NCC(=O)NCc1cn(C2C[NH+](CCO)C2)nn1 ZINC001107123053 776033659 /nfs/dbraw/zinc/03/36/59/776033659.db2.gz SUWHAASGRLJGGT-UHFFFAOYSA-N 1 2 297.319 -2.588 20 0 CAADLO CO[C@H](C)C(=O)NCc1cn(C2C[NH+](CCO)C2)nn1 ZINC001107138255 776033683 /nfs/dbraw/zinc/03/36/83/776033683.db2.gz AZKFSCGECHNTLT-SECBINFHSA-N 1 2 283.332 -1.222 20 0 CAADLO CO[C@@H](C)C(=O)NCc1cn(C2C[NH+](CCO)C2)nn1 ZINC001107138256 776034394 /nfs/dbraw/zinc/03/43/94/776034394.db2.gz AZKFSCGECHNTLT-VIFPVBQESA-N 1 2 283.332 -1.222 20 0 CAADLO CC(C)(O)CC(=O)NCc1cn(C2C[NH+](CCO)C2)nn1 ZINC001107165370 776036920 /nfs/dbraw/zinc/03/69/20/776036920.db2.gz UOKTYQFJWGFRJD-UHFFFAOYSA-N 1 2 297.359 -1.096 20 0 CAADLO CCOCC[NH+]1CC(n2cc(CNC(=O)C(N)=O)nn2)C1 ZINC001107202062 776036943 /nfs/dbraw/zinc/03/69/43/776036943.db2.gz OOVHWDVJPGCRFB-UHFFFAOYSA-N 1 2 296.331 -1.727 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2cncn2)C1 ZINC001047620934 776037108 /nfs/dbraw/zinc/03/71/08/776037108.db2.gz XYJXQCNOXLDHFS-UTLUCORTSA-N 1 2 296.331 -2.345 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2cncn2)C1 ZINC001047620934 776037113 /nfs/dbraw/zinc/03/71/13/776037113.db2.gz XYJXQCNOXLDHFS-UTLUCORTSA-N 1 2 296.331 -2.345 20 0 CAADLO NC(=O)NC(=O)C[NH2+]CCNC(=O)C(F)C(F)(F)F ZINC001127737623 776038819 /nfs/dbraw/zinc/03/88/19/776038819.db2.gz RMZKRJTZEXFJSJ-YFKPBYRVSA-N 1 2 288.201 -1.213 20 0 CAADLO NC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H](F)C(F)(F)F ZINC001127737623 776038839 /nfs/dbraw/zinc/03/88/39/776038839.db2.gz RMZKRJTZEXFJSJ-YFKPBYRVSA-N 1 2 288.201 -1.213 20 0 CAADLO Cn1[nH]c(C[NH2+]CCNC(=O)[C@]23C[C@H]2COC3)nc1=O ZINC001127742763 776038874 /nfs/dbraw/zinc/03/88/74/776038874.db2.gz DVAQVQNFTKRCGU-UFBFGSQYSA-N 1 2 281.316 -1.649 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCO2)C1 ZINC001047639014 776039039 /nfs/dbraw/zinc/03/90/39/776039039.db2.gz CTAIWBMPIVMCMQ-FIQHERPVSA-N 1 2 299.371 -1.197 20 0 CAADLO CNC(=O)[C@H](C)[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCO2)C1 ZINC001047639014 776039047 /nfs/dbraw/zinc/03/90/47/776039047.db2.gz CTAIWBMPIVMCMQ-FIQHERPVSA-N 1 2 299.371 -1.197 20 0 CAADLO CN(C)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001077598766 776041581 /nfs/dbraw/zinc/04/15/81/776041581.db2.gz CNQHYZMUTKTRIC-DJLDLDEBSA-N 1 2 299.331 -3.083 20 0 CAADLO CN(C)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001077598766 776041585 /nfs/dbraw/zinc/04/15/85/776041585.db2.gz CNQHYZMUTKTRIC-DJLDLDEBSA-N 1 2 299.331 -3.083 20 0 CAADLO O=C(N[C@@H]1C[N@@H+](C/C=C/Cl)C[C@H]1O)[C@H]1CNC(=O)N1 ZINC001077600347 776042654 /nfs/dbraw/zinc/04/26/54/776042654.db2.gz ICHXMBZRISFUIH-LROXBPPPSA-N 1 2 288.735 -1.418 20 0 CAADLO O=C(N[C@@H]1C[N@H+](C/C=C/Cl)C[C@H]1O)[C@H]1CNC(=O)N1 ZINC001077600347 776042662 /nfs/dbraw/zinc/04/26/62/776042662.db2.gz ICHXMBZRISFUIH-LROXBPPPSA-N 1 2 288.735 -1.418 20 0 CAADLO Cn1ncc2c1nc[nH+]c2NC/C=C\CNC(=O)C(N)=O ZINC001107480659 776042781 /nfs/dbraw/zinc/04/27/81/776042781.db2.gz PVICLAMWTSDPEB-IHWYPQMZSA-N 1 2 289.299 -1.067 20 0 CAADLO O=C(N[C@@H]1C[N@@H+](C/C=C\Cl)C[C@H]1O)[C@@H]1CNC(=O)N1 ZINC001077600346 776043014 /nfs/dbraw/zinc/04/30/14/776043014.db2.gz ICHXMBZRISFUIH-IWMFZOCNSA-N 1 2 288.735 -1.418 20 0 CAADLO O=C(N[C@@H]1C[N@H+](C/C=C\Cl)C[C@H]1O)[C@@H]1CNC(=O)N1 ZINC001077600346 776043020 /nfs/dbraw/zinc/04/30/20/776043020.db2.gz ICHXMBZRISFUIH-IWMFZOCNSA-N 1 2 288.735 -1.418 20 0 CAADLO Cc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C(N)=O)C2)c(C)n1 ZINC001077603667 776043406 /nfs/dbraw/zinc/04/34/06/776043406.db2.gz DHRLSQKMGFHRMB-VXGBXAGGSA-N 1 2 292.339 -1.155 20 0 CAADLO Cc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)C(N)=O)C2)c(C)n1 ZINC001077603667 776043413 /nfs/dbraw/zinc/04/34/13/776043413.db2.gz DHRLSQKMGFHRMB-VXGBXAGGSA-N 1 2 292.339 -1.155 20 0 CAADLO O=C(N[C@@H]1C[N@@H+](C/C=C\Cl)C[C@H]1O)[C@H]1CNC(=O)N1 ZINC001077600345 776043633 /nfs/dbraw/zinc/04/36/33/776043633.db2.gz ICHXMBZRISFUIH-AHPPMSSZSA-N 1 2 288.735 -1.418 20 0 CAADLO O=C(N[C@@H]1C[N@H+](C/C=C\Cl)C[C@H]1O)[C@H]1CNC(=O)N1 ZINC001077600345 776043639 /nfs/dbraw/zinc/04/36/39/776043639.db2.gz ICHXMBZRISFUIH-AHPPMSSZSA-N 1 2 288.735 -1.418 20 0 CAADLO Cc1nc(CC[N@@H+]2C[C@@H](O)[C@H](NC(=O)C(N)=O)C2)cs1 ZINC001077605815 776044538 /nfs/dbraw/zinc/04/45/38/776044538.db2.gz HNYFTXSHJHVQTQ-NXEZZACHSA-N 1 2 298.368 -1.359 20 0 CAADLO Cc1nc(CC[N@H+]2C[C@@H](O)[C@H](NC(=O)C(N)=O)C2)cs1 ZINC001077605815 776044547 /nfs/dbraw/zinc/04/45/47/776044547.db2.gz HNYFTXSHJHVQTQ-NXEZZACHSA-N 1 2 298.368 -1.359 20 0 CAADLO Cc1nn(C)cc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(N)=O)C1 ZINC001077603782 776044976 /nfs/dbraw/zinc/04/49/76/776044976.db2.gz JCJFLDSQULHNNF-NXEZZACHSA-N 1 2 281.316 -2.125 20 0 CAADLO Cc1nn(C)cc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)C(N)=O)C1 ZINC001077603782 776044980 /nfs/dbraw/zinc/04/49/80/776044980.db2.gz JCJFLDSQULHNNF-NXEZZACHSA-N 1 2 281.316 -2.125 20 0 CAADLO NC(=O)C(=O)N[C@@H]1C[N@H+](Cc2cccnc2)C[C@H]1O ZINC001077603949 776045229 /nfs/dbraw/zinc/04/52/29/776045229.db2.gz RUDKAXRVHFLPKD-NXEZZACHSA-N 1 2 264.285 -1.772 20 0 CAADLO NC(=O)C(=O)N[C@@H]1C[N@@H+](Cc2cccnc2)C[C@H]1O ZINC001077603949 776045236 /nfs/dbraw/zinc/04/52/36/776045236.db2.gz RUDKAXRVHFLPKD-NXEZZACHSA-N 1 2 264.285 -1.772 20 0 CAADLO Cc1ncccc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(N)=O)C1 ZINC001077603752 776045450 /nfs/dbraw/zinc/04/54/50/776045450.db2.gz HTUVNZZFDZIMBB-GHMZBOCLSA-N 1 2 278.312 -1.463 20 0 CAADLO Cc1ncccc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)C(N)=O)C1 ZINC001077603752 776045454 /nfs/dbraw/zinc/04/54/54/776045454.db2.gz HTUVNZZFDZIMBB-GHMZBOCLSA-N 1 2 278.312 -1.463 20 0 CAADLO Cc1cncc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C(N)=O)C2)c1 ZINC001077604052 776045541 /nfs/dbraw/zinc/04/55/41/776045541.db2.gz XXKGHPLNEVVLCB-GHMZBOCLSA-N 1 2 278.312 -1.463 20 0 CAADLO Cc1cncc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)C(N)=O)C2)c1 ZINC001077604052 776045544 /nfs/dbraw/zinc/04/55/44/776045544.db2.gz XXKGHPLNEVVLCB-GHMZBOCLSA-N 1 2 278.312 -1.463 20 0 CAADLO NC(=O)C(=O)N[C@@H]1C[N@H+](CCC(F)(F)F)C[C@H]1O ZINC001077606151 776046145 /nfs/dbraw/zinc/04/61/45/776046145.db2.gz WIQPNOJSPPCYCW-PHDIDXHHSA-N 1 2 269.223 -1.415 20 0 CAADLO NC(=O)C(=O)N[C@@H]1C[N@@H+](CCC(F)(F)F)C[C@H]1O ZINC001077606151 776046151 /nfs/dbraw/zinc/04/61/51/776046151.db2.gz WIQPNOJSPPCYCW-PHDIDXHHSA-N 1 2 269.223 -1.415 20 0 CAADLO CN1CCC[C@@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)C(N)=O)C2)C1=O ZINC001077606094 776046988 /nfs/dbraw/zinc/04/69/88/776046988.db2.gz TVIZPANHSCNXBF-IWSPIJDZSA-N 1 2 284.316 -2.746 20 0 CAADLO CN1CCC[C@@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)C(N)=O)C2)C1=O ZINC001077606094 776046996 /nfs/dbraw/zinc/04/69/96/776046996.db2.gz TVIZPANHSCNXBF-IWSPIJDZSA-N 1 2 284.316 -2.746 20 0 CAADLO Cc1nc(C)c(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C(N)=O)C2)o1 ZINC001077605994 776047191 /nfs/dbraw/zinc/04/71/91/776047191.db2.gz OWDABUZXDQIBPN-RKDXNWHRSA-N 1 2 282.300 -1.562 20 0 CAADLO Cc1nc(C)c(C[N@H+]2C[C@@H](O)[C@H](NC(=O)C(N)=O)C2)o1 ZINC001077605994 776047195 /nfs/dbraw/zinc/04/71/95/776047195.db2.gz OWDABUZXDQIBPN-RKDXNWHRSA-N 1 2 282.300 -1.562 20 0 CAADLO CN1CC(C(=O)N[C@@H]2C[N@H+](CCCO)C[C@H]2O)=NC1=O ZINC001077619385 776048666 /nfs/dbraw/zinc/04/86/66/776048666.db2.gz NGIRZLYRAHLYCU-PSASIEDQSA-N 1 2 284.316 -1.717 20 0 CAADLO CN1CC(C(=O)N[C@@H]2C[N@@H+](CCCO)C[C@H]2O)=NC1=O ZINC001077619385 776048671 /nfs/dbraw/zinc/04/86/71/776048671.db2.gz NGIRZLYRAHLYCU-PSASIEDQSA-N 1 2 284.316 -1.717 20 0 CAADLO NC(=O)C(=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1O ZINC001077607085 776048930 /nfs/dbraw/zinc/04/89/30/776048930.db2.gz REBWWQAEHGKUCH-HTQZYQBOSA-N 1 2 268.277 -3.075 20 0 CAADLO NC(=O)C(=O)N[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@H]1O ZINC001077607037 776048715 /nfs/dbraw/zinc/04/87/15/776048715.db2.gz PCKMRCBPAPZKCE-RKDXNWHRSA-N 1 2 284.316 -2.745 20 0 CAADLO NC(=O)C(=O)N[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@H]1O ZINC001077607037 776048717 /nfs/dbraw/zinc/04/87/17/776048717.db2.gz PCKMRCBPAPZKCE-RKDXNWHRSA-N 1 2 284.316 -2.745 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cn(C)c(=O)[nH]2)C1 ZINC001077619597 776048786 /nfs/dbraw/zinc/04/87/86/776048786.db2.gz XOGRQAVXQMDXJE-ZXFLCMHBSA-N 1 2 297.315 -2.226 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cn(C)c(=O)[nH]2)C1 ZINC001077619597 776048789 /nfs/dbraw/zinc/04/87/89/776048789.db2.gz XOGRQAVXQMDXJE-ZXFLCMHBSA-N 1 2 297.315 -2.226 20 0 CAADLO NC(=O)C(=O)N[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@H]1O ZINC001077609205 776048865 /nfs/dbraw/zinc/04/88/65/776048865.db2.gz TXRDSJKWXYBSCN-HTQZYQBOSA-N 1 2 298.299 -3.218 20 0 CAADLO NC(=O)C(=O)N[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)C[C@H]1O ZINC001077609205 776048868 /nfs/dbraw/zinc/04/88/68/776048868.db2.gz TXRDSJKWXYBSCN-HTQZYQBOSA-N 1 2 298.299 -3.218 20 0 CAADLO NC(=O)C(=O)N[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1O ZINC001077607085 776048926 /nfs/dbraw/zinc/04/89/26/776048926.db2.gz REBWWQAEHGKUCH-HTQZYQBOSA-N 1 2 268.277 -3.075 20 0 CAADLO CO[C@H](C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2=NC(=O)N(C)C2)C1 ZINC001077625016 776049738 /nfs/dbraw/zinc/04/97/38/776049738.db2.gz NBONZLOMZFMUHC-FXPVBKGRSA-N 1 2 298.343 -1.065 20 0 CAADLO CO[C@H](C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C2=NC(=O)N(C)C2)C1 ZINC001077625016 776049747 /nfs/dbraw/zinc/04/97/47/776049747.db2.gz NBONZLOMZFMUHC-FXPVBKGRSA-N 1 2 298.343 -1.065 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC2=CCOCC2)C1 ZINC001077627330 776050342 /nfs/dbraw/zinc/05/03/42/776050342.db2.gz LRRYSRWOGRCTPY-MVWJERBFSA-N 1 2 297.355 -1.242 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)CC2=CCOCC2)C1 ZINC001077627330 776050345 /nfs/dbraw/zinc/05/03/45/776050345.db2.gz LRRYSRWOGRCTPY-MVWJERBFSA-N 1 2 297.355 -1.242 20 0 CAADLO CN(C)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001077686386 776059263 /nfs/dbraw/zinc/05/92/63/776059263.db2.gz LURGPMDGLFFPHC-UTINFBMNSA-N 1 2 298.343 -2.643 20 0 CAADLO CN(C)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001077686386 776059268 /nfs/dbraw/zinc/05/92/68/776059268.db2.gz LURGPMDGLFFPHC-UTINFBMNSA-N 1 2 298.343 -2.643 20 0 CAADLO Cn1cnc(C(=O)NC[C@]2(C)C[N@H+](CCO)CCO2)n1 ZINC001107919554 776070327 /nfs/dbraw/zinc/07/03/27/776070327.db2.gz AGVAQJHDSOSAIF-GFCCVEGCSA-N 1 2 283.332 -1.372 20 0 CAADLO Cn1cnc(C(=O)NC[C@]2(C)C[N@@H+](CCO)CCO2)n1 ZINC001107919554 776070332 /nfs/dbraw/zinc/07/03/32/776070332.db2.gz AGVAQJHDSOSAIF-GFCCVEGCSA-N 1 2 283.332 -1.372 20 0 CAADLO COC(=O)[C@H](CCc1cn(C)c[nH+]1)NC(=O)C(N)=O ZINC001142941102 776072217 /nfs/dbraw/zinc/07/22/17/776072217.db2.gz SETBMADPZHTEHT-QMMMGPOBSA-N 1 2 268.273 -1.504 20 0 CAADLO Cc1nnc(CC(=O)NC[C@]2(C)C[N@H+](CCO)CCO2)[nH]1 ZINC001107934898 776072352 /nfs/dbraw/zinc/07/23/52/776072352.db2.gz OLUQJUUOTQBQRC-CYBMUJFWSA-N 1 2 297.359 -1.145 20 0 CAADLO Cc1nnc(CC(=O)NC[C@]2(C)C[N@@H+](CCO)CCO2)[nH]1 ZINC001107934898 776072358 /nfs/dbraw/zinc/07/23/58/776072358.db2.gz OLUQJUUOTQBQRC-CYBMUJFWSA-N 1 2 297.359 -1.145 20 0 CAADLO COCC(=O)N[C@@H](C)C(=O)NCC[NH2+]Cc1nonc1C ZINC001127966641 776073325 /nfs/dbraw/zinc/07/33/25/776073325.db2.gz CVONIOYAFYWIKF-VIFPVBQESA-N 1 2 299.331 -1.265 20 0 CAADLO COCC(=O)N[C@H](C)C(=O)NCC[NH2+]Cc1ncccn1 ZINC001127967837 776075677 /nfs/dbraw/zinc/07/56/77/776075677.db2.gz QVZTZCISTVBLEN-SNVBAGLBSA-N 1 2 295.343 -1.167 20 0 CAADLO O=C(c1cn[nH]n1)N1C[C@@H]2C[C@H]1C[N@@H+]2CCn1cncn1 ZINC001032495246 776076358 /nfs/dbraw/zinc/07/63/58/776076358.db2.gz SZHGDEQVYOVJKH-UWVGGRQHSA-N 1 2 288.315 -1.005 20 0 CAADLO O=C(c1cn[nH]n1)N1C[C@@H]2C[C@H]1C[N@H+]2CCn1cncn1 ZINC001032495246 776076371 /nfs/dbraw/zinc/07/63/71/776076371.db2.gz SZHGDEQVYOVJKH-UWVGGRQHSA-N 1 2 288.315 -1.005 20 0 CAADLO CC[C@@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2nc(C)c[nH]2)C1 ZINC001077810871 776076745 /nfs/dbraw/zinc/07/67/45/776076745.db2.gz SNKJQZVQJNNMET-KXUCPTDWSA-N 1 2 295.343 -1.243 20 0 CAADLO CC[C@@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2nc(C)c[nH]2)C1 ZINC001077810871 776076749 /nfs/dbraw/zinc/07/67/49/776076749.db2.gz SNKJQZVQJNNMET-KXUCPTDWSA-N 1 2 295.343 -1.243 20 0 CAADLO COCCC(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C[C@H]1O ZINC001099621320 776103856 /nfs/dbraw/zinc/10/38/56/776103856.db2.gz UTZNRNLMBJSOKW-RKDXNWHRSA-N 1 2 259.306 -1.940 20 0 CAADLO COCC(=O)N[C@@H](C)C(=O)NCC[NH2+]Cc1cnon1 ZINC001127999599 776080297 /nfs/dbraw/zinc/08/02/97/776080297.db2.gz RLLJSRZSQYYVIK-QMMMGPOBSA-N 1 2 285.304 -1.574 20 0 CAADLO NC(=O)NC(=O)C[N@@H+]1CC[C@@H](NC(=O)CC2CC2)[C@@H](O)C1 ZINC001099611572 776084511 /nfs/dbraw/zinc/08/45/11/776084511.db2.gz UBMRRXNEJHDMGG-ZJUUUORDSA-N 1 2 298.343 -1.467 20 0 CAADLO NC(=O)NC(=O)C[N@H+]1CC[C@@H](NC(=O)CC2CC2)[C@@H](O)C1 ZINC001099611572 776084516 /nfs/dbraw/zinc/08/45/16/776084516.db2.gz UBMRRXNEJHDMGG-ZJUUUORDSA-N 1 2 298.343 -1.467 20 0 CAADLO NC(=O)NC(=O)C[N@@H+]1CC[C@H](NC(=O)C(F)F)[C@@H](O)C1 ZINC001099608313 776084713 /nfs/dbraw/zinc/08/47/13/776084713.db2.gz ZOQNNQWNPWYACB-WDSKDSINSA-N 1 2 294.258 -2.002 20 0 CAADLO NC(=O)NC(=O)C[N@H+]1CC[C@H](NC(=O)C(F)F)[C@@H](O)C1 ZINC001099608313 776084716 /nfs/dbraw/zinc/08/47/16/776084716.db2.gz ZOQNNQWNPWYACB-WDSKDSINSA-N 1 2 294.258 -2.002 20 0 CAADLO NC(=O)NC(=O)C[N@@H+]1CC[C@@H](NC(=O)C(F)F)[C@@H](O)C1 ZINC001099608312 776085072 /nfs/dbraw/zinc/08/50/72/776085072.db2.gz ZOQNNQWNPWYACB-RITPCOANSA-N 1 2 294.258 -2.002 20 0 CAADLO NC(=O)NC(=O)C[N@H+]1CC[C@@H](NC(=O)C(F)F)[C@@H](O)C1 ZINC001099608312 776085078 /nfs/dbraw/zinc/08/50/78/776085078.db2.gz ZOQNNQWNPWYACB-RITPCOANSA-N 1 2 294.258 -2.002 20 0 CAADLO NC(=O)NC(=O)C[N@@H+]1CC[C@@H](NC(=O)C(F)F)[C@H](O)C1 ZINC001099608311 776085608 /nfs/dbraw/zinc/08/56/08/776085608.db2.gz ZOQNNQWNPWYACB-PHDIDXHHSA-N 1 2 294.258 -2.002 20 0 CAADLO NC(=O)NC(=O)C[N@H+]1CC[C@@H](NC(=O)C(F)F)[C@H](O)C1 ZINC001099608311 776085613 /nfs/dbraw/zinc/08/56/13/776085613.db2.gz ZOQNNQWNPWYACB-PHDIDXHHSA-N 1 2 294.258 -2.002 20 0 CAADLO CC(=O)N[C@@H]1CC[N@H+](CC(=O)NC(=O)NC2CC2)C[C@@H]1O ZINC001099610042 776085628 /nfs/dbraw/zinc/08/56/28/776085628.db2.gz HNADJJSWCFCHBD-MNOVXSKESA-N 1 2 298.343 -1.454 20 0 CAADLO CC(=O)N[C@@H]1CC[N@@H+](CC(=O)NC(=O)NC2CC2)C[C@@H]1O ZINC001099610042 776085633 /nfs/dbraw/zinc/08/56/33/776085633.db2.gz HNADJJSWCFCHBD-MNOVXSKESA-N 1 2 298.343 -1.454 20 0 CAADLO COCCCNC(=O)C[N@@H+]1CC[C@@H](NC(C)=O)[C@H](O)C1 ZINC001099611520 776085715 /nfs/dbraw/zinc/08/57/15/776085715.db2.gz SAESGOOJBSKNFQ-VXGBXAGGSA-N 1 2 287.360 -1.290 20 0 CAADLO COCCCNC(=O)C[N@H+]1CC[C@@H](NC(C)=O)[C@H](O)C1 ZINC001099611520 776085721 /nfs/dbraw/zinc/08/57/21/776085721.db2.gz SAESGOOJBSKNFQ-VXGBXAGGSA-N 1 2 287.360 -1.290 20 0 CAADLO CC(=O)N[C@H]1CC[N@H+](CC(=O)NC(=O)NC2CC2)C[C@@H]1O ZINC001099610043 776085744 /nfs/dbraw/zinc/08/57/44/776085744.db2.gz HNADJJSWCFCHBD-QWRGUYRKSA-N 1 2 298.343 -1.454 20 0 CAADLO CC(=O)N[C@H]1CC[N@@H+](CC(=O)NC(=O)NC2CC2)C[C@@H]1O ZINC001099610043 776085747 /nfs/dbraw/zinc/08/57/47/776085747.db2.gz HNADJJSWCFCHBD-QWRGUYRKSA-N 1 2 298.343 -1.454 20 0 CAADLO CCNC(=O)NC(=O)C[N@@H+]1CC[C@H](NC(C)=O)[C@H](O)C1 ZINC001099610717 776085839 /nfs/dbraw/zinc/08/58/39/776085839.db2.gz KXJYWMOEDKUCSI-VHSXEESVSA-N 1 2 286.332 -1.597 20 0 CAADLO CCNC(=O)NC(=O)C[N@H+]1CC[C@H](NC(C)=O)[C@H](O)C1 ZINC001099610717 776085846 /nfs/dbraw/zinc/08/58/46/776085846.db2.gz KXJYWMOEDKUCSI-VHSXEESVSA-N 1 2 286.332 -1.597 20 0 CAADLO COCC(=O)N[C@@H]1CC[N@H+](CC(=O)NC(N)=O)C[C@H]1O ZINC001099613803 776086384 /nfs/dbraw/zinc/08/63/84/776086384.db2.gz NGEFCYRUEPRBGY-HTQZYQBOSA-N 1 2 288.304 -2.621 20 0 CAADLO COCC(=O)N[C@@H]1CC[N@@H+](CC(=O)NC(N)=O)C[C@H]1O ZINC001099613803 776086393 /nfs/dbraw/zinc/08/63/93/776086393.db2.gz NGEFCYRUEPRBGY-HTQZYQBOSA-N 1 2 288.304 -2.621 20 0 CAADLO COCC(=O)N[C@H]1CC[N@H+](CC(=O)NC(N)=O)C[C@@H]1O ZINC001099613806 776087230 /nfs/dbraw/zinc/08/72/30/776087230.db2.gz NGEFCYRUEPRBGY-YUMQZZPRSA-N 1 2 288.304 -2.621 20 0 CAADLO COCC(=O)N[C@H]1CC[N@@H+](CC(=O)NC(N)=O)C[C@@H]1O ZINC001099613806 776087235 /nfs/dbraw/zinc/08/72/35/776087235.db2.gz NGEFCYRUEPRBGY-YUMQZZPRSA-N 1 2 288.304 -2.621 20 0 CAADLO CCCNC(=O)C[N@@H+]1CC[C@H](NC(=O)COC)[C@@H](O)C1 ZINC001099613701 776087270 /nfs/dbraw/zinc/08/72/70/776087270.db2.gz MBMVUUJKOZNBOC-QWRGUYRKSA-N 1 2 287.360 -1.290 20 0 CAADLO CCCNC(=O)C[N@H+]1CC[C@H](NC(=O)COC)[C@@H](O)C1 ZINC001099613701 776087274 /nfs/dbraw/zinc/08/72/74/776087274.db2.gz MBMVUUJKOZNBOC-QWRGUYRKSA-N 1 2 287.360 -1.290 20 0 CAADLO COCC(=O)N[C@@H]1CC[N@H+](CC(=O)NC(N)=O)C[C@@H]1O ZINC001099613805 776087563 /nfs/dbraw/zinc/08/75/63/776087563.db2.gz NGEFCYRUEPRBGY-SFYZADRCSA-N 1 2 288.304 -2.621 20 0 CAADLO COCC(=O)N[C@@H]1CC[N@@H+](CC(=O)NC(N)=O)C[C@@H]1O ZINC001099613805 776087567 /nfs/dbraw/zinc/08/75/67/776087567.db2.gz NGEFCYRUEPRBGY-SFYZADRCSA-N 1 2 288.304 -2.621 20 0 CAADLO COCC(=O)N[C@@H]1CC[N@H+](CC(=O)NC2CC2)C[C@H]1O ZINC001099617940 776090660 /nfs/dbraw/zinc/09/06/60/776090660.db2.gz MOROEOYGDRRJHH-GHMZBOCLSA-N 1 2 285.344 -1.537 20 0 CAADLO COCC(=O)N[C@@H]1CC[N@@H+](CC(=O)NC2CC2)C[C@H]1O ZINC001099617940 776090664 /nfs/dbraw/zinc/09/06/64/776090664.db2.gz MOROEOYGDRRJHH-GHMZBOCLSA-N 1 2 285.344 -1.537 20 0 CAADLO COCC(=O)N[C@H]1CC[N@H+](CC(=O)NC2CC2)C[C@@H]1O ZINC001099617942 776091725 /nfs/dbraw/zinc/09/17/25/776091725.db2.gz MOROEOYGDRRJHH-QWRGUYRKSA-N 1 2 285.344 -1.537 20 0 CAADLO COCC(=O)N[C@H]1CC[N@@H+](CC(=O)NC2CC2)C[C@@H]1O ZINC001099617942 776091730 /nfs/dbraw/zinc/09/17/30/776091730.db2.gz MOROEOYGDRRJHH-QWRGUYRKSA-N 1 2 285.344 -1.537 20 0 CAADLO COC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ncn[nH]2)C1 ZINC001077861509 776092568 /nfs/dbraw/zinc/09/25/68/776092568.db2.gz JYRPLUAHKVBWDZ-DJLDLDEBSA-N 1 2 269.305 -1.386 20 0 CAADLO COC[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2nc[nH]n2)C1 ZINC001077861509 776092582 /nfs/dbraw/zinc/09/25/82/776092582.db2.gz JYRPLUAHKVBWDZ-DJLDLDEBSA-N 1 2 269.305 -1.386 20 0 CAADLO COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ncn[nH]2)C1 ZINC001077861527 776094168 /nfs/dbraw/zinc/09/41/68/776094168.db2.gz KRHHDMZDCACPQZ-HTQZYQBOSA-N 1 2 255.278 -1.774 20 0 CAADLO COCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2nnc[nH]2)C1 ZINC001077861527 776094159 /nfs/dbraw/zinc/09/41/59/776094159.db2.gz KRHHDMZDCACPQZ-HTQZYQBOSA-N 1 2 255.278 -1.774 20 0 CAADLO CC[C@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccncn2)C1 ZINC001077866048 776095602 /nfs/dbraw/zinc/09/56/02/776095602.db2.gz SXEVMCFVNOSFLY-GMTAPVOTSA-N 1 2 293.327 -1.485 20 0 CAADLO CC[C@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccncn2)C1 ZINC001077866048 776095611 /nfs/dbraw/zinc/09/56/11/776095611.db2.gz SXEVMCFVNOSFLY-GMTAPVOTSA-N 1 2 293.327 -1.485 20 0 CAADLO O=C(N[C@@H]1C[N@H+](CCO)C[C@H]1O)c1nccs1 ZINC001077885605 776095815 /nfs/dbraw/zinc/09/58/15/776095815.db2.gz VNFFZSNJIQXDAV-HTQZYQBOSA-N 1 2 257.315 -1.090 20 0 CAADLO O=C(N[C@@H]1C[N@@H+](CCO)C[C@H]1O)c1nccs1 ZINC001077885605 776095819 /nfs/dbraw/zinc/09/58/19/776095819.db2.gz VNFFZSNJIQXDAV-HTQZYQBOSA-N 1 2 257.315 -1.090 20 0 CAADLO O=C(Cc1ccco1)N[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@H]1O ZINC001077874058 776097216 /nfs/dbraw/zinc/09/72/16/776097216.db2.gz NVJOCMIIGMJRLR-GRYCIOLGSA-N 1 2 293.323 -1.128 20 0 CAADLO O=C(Cc1ccco1)N[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@H]1O ZINC001077874058 776097221 /nfs/dbraw/zinc/09/72/21/776097221.db2.gz NVJOCMIIGMJRLR-GRYCIOLGSA-N 1 2 293.323 -1.128 20 0 CAADLO O=C(Cc1ccco1)N[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@H]1O ZINC001077874059 776097319 /nfs/dbraw/zinc/09/73/19/776097319.db2.gz NVJOCMIIGMJRLR-IJLUTSLNSA-N 1 2 293.323 -1.128 20 0 CAADLO O=C(Cc1ccco1)N[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@H]1O ZINC001077874059 776097320 /nfs/dbraw/zinc/09/73/20/776097320.db2.gz NVJOCMIIGMJRLR-IJLUTSLNSA-N 1 2 293.323 -1.128 20 0 CAADLO COCCC(=O)N[C@H]1CC[N@H+](CC(=O)NC2CC2)C[C@@H]1O ZINC001099619859 776099031 /nfs/dbraw/zinc/09/90/31/776099031.db2.gz FTIKCZYVGFULLA-RYUDHWBXSA-N 1 2 299.371 -1.147 20 0 CAADLO COCCC(=O)N[C@H]1CC[N@@H+](CC(=O)NC2CC2)C[C@@H]1O ZINC001099619859 776099036 /nfs/dbraw/zinc/09/90/36/776099036.db2.gz FTIKCZYVGFULLA-RYUDHWBXSA-N 1 2 299.371 -1.147 20 0 CAADLO COCCC(=O)N[C@@H]1CC[N@H+](CC(=O)NC2CC2)C[C@@H]1O ZINC001099619857 776099949 /nfs/dbraw/zinc/09/99/49/776099949.db2.gz FTIKCZYVGFULLA-NEPJUHHUSA-N 1 2 299.371 -1.147 20 0 CAADLO COCCC(=O)N[C@@H]1CC[N@@H+](CC(=O)NC2CC2)C[C@@H]1O ZINC001099619857 776099956 /nfs/dbraw/zinc/09/99/56/776099956.db2.gz FTIKCZYVGFULLA-NEPJUHHUSA-N 1 2 299.371 -1.147 20 0 CAADLO COCCC(=O)N[C@@H]1CC[N@H+](CC(N)=O)C[C@H]1O ZINC001099621320 776103852 /nfs/dbraw/zinc/10/38/52/776103852.db2.gz UTZNRNLMBJSOKW-RKDXNWHRSA-N 1 2 259.306 -1.940 20 0 CAADLO COC(C[NH+]1CC2(C1)COCC(=O)N2C1COC1)OC ZINC001272863238 776105797 /nfs/dbraw/zinc/10/57/97/776105797.db2.gz UDIVHCAMPXCZJC-UHFFFAOYSA-N 1 2 286.328 -1.083 20 0 CAADLO CC[N@@H+]1CCOC[C@H]1CNC(=O)C[C@@H]1NC(=O)NC1=O ZINC001272868508 776105833 /nfs/dbraw/zinc/10/58/33/776105833.db2.gz FRKFDRPDBFOIPE-BDAKNGLRSA-N 1 2 284.316 -1.579 20 0 CAADLO CC[N@H+]1CCOC[C@H]1CNC(=O)C[C@@H]1NC(=O)NC1=O ZINC001272868508 776105836 /nfs/dbraw/zinc/10/58/36/776105836.db2.gz FRKFDRPDBFOIPE-BDAKNGLRSA-N 1 2 284.316 -1.579 20 0 CAADLO NC(=O)C[N@@H+]1C[C@@H](NC(=O)C(N)=O)CC2(CCOCC2)C1 ZINC001089957825 776106992 /nfs/dbraw/zinc/10/69/92/776106992.db2.gz XBIYDDKURUZZFP-VIFPVBQESA-N 1 2 298.343 -2.056 20 0 CAADLO NC(=O)C[N@H+]1C[C@@H](NC(=O)C(N)=O)CC2(CCOCC2)C1 ZINC001089957825 776106998 /nfs/dbraw/zinc/10/69/98/776106998.db2.gz XBIYDDKURUZZFP-VIFPVBQESA-N 1 2 298.343 -2.056 20 0 CAADLO CC[C@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2nc[nH]n2)C1 ZINC001077976885 776109392 /nfs/dbraw/zinc/10/93/92/776109392.db2.gz ZPQDYCJOOODESL-IWSPIJDZSA-N 1 2 296.331 -2.228 20 0 CAADLO CC[C@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2nc[nH]n2)C1 ZINC001077976885 776109398 /nfs/dbraw/zinc/10/93/98/776109398.db2.gz ZPQDYCJOOODESL-IWSPIJDZSA-N 1 2 296.331 -2.228 20 0 CAADLO CC[C@@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2nc[nH]n2)C1 ZINC001077976884 776110165 /nfs/dbraw/zinc/11/01/65/776110165.db2.gz ZPQDYCJOOODESL-HRDYMLBCSA-N 1 2 296.331 -2.228 20 0 CAADLO CC[C@@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2nc[nH]n2)C1 ZINC001077976884 776110171 /nfs/dbraw/zinc/11/01/71/776110171.db2.gz ZPQDYCJOOODESL-HRDYMLBCSA-N 1 2 296.331 -2.228 20 0 CAADLO CC[N@@H+]1CCOC[C@@H]1CNC(=O)CN1C(=O)CCC1=O ZINC001272901580 776110279 /nfs/dbraw/zinc/11/02/79/776110279.db2.gz KNYQEQJIHCYAGD-JTQLQIEISA-N 1 2 283.328 -1.028 20 0 CAADLO CC[N@H+]1CCOC[C@@H]1CNC(=O)CN1C(=O)CCC1=O ZINC001272901580 776110284 /nfs/dbraw/zinc/11/02/84/776110284.db2.gz KNYQEQJIHCYAGD-JTQLQIEISA-N 1 2 283.328 -1.028 20 0 CAADLO C[C@@H](C(N)=O)N1C[C@@H](O)[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001078007396 776111803 /nfs/dbraw/zinc/11/18/03/776111803.db2.gz QPGXJJLCGVDPAM-JMJZKYOTSA-N 1 2 295.343 -2.002 20 0 CAADLO C[C@H](C(N)=O)N1C[C@@H](O)[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001078007393 776112526 /nfs/dbraw/zinc/11/25/26/776112526.db2.gz QPGXJJLCGVDPAM-FBIMIBRVSA-N 1 2 295.343 -2.002 20 0 CAADLO C[C@@H](CCNC(=O)Cc1[nH]cc[nH+]1)NC(=O)CNC(N)=O ZINC001078033777 776113759 /nfs/dbraw/zinc/11/37/59/776113759.db2.gz AAEONGSGYIEANF-QMMMGPOBSA-N 1 2 296.331 -1.369 20 0 CAADLO CN(C)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001078029196 776115035 /nfs/dbraw/zinc/11/50/35/776115035.db2.gz PVSBZZBZNRXNKX-IVZWLZJFSA-N 1 2 298.343 -2.486 20 0 CAADLO CN(C)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001078029196 776115039 /nfs/dbraw/zinc/11/50/39/776115039.db2.gz PVSBZZBZNRXNKX-IVZWLZJFSA-N 1 2 298.343 -2.486 20 0 CAADLO CC(=O)N1CC[C@@H](C(=O)N[C@@H]2C[N@H+](CCF)C[C@H]2O)C1 ZINC001078090332 776117141 /nfs/dbraw/zinc/11/71/41/776117141.db2.gz NKJRFWJJEVAFBA-IJLUTSLNSA-N 1 2 287.335 -1.014 20 0 CAADLO CC(=O)N1CC[C@@H](C(=O)N[C@@H]2C[N@@H+](CCF)C[C@H]2O)C1 ZINC001078090332 776117146 /nfs/dbraw/zinc/11/71/46/776117146.db2.gz NKJRFWJJEVAFBA-IJLUTSLNSA-N 1 2 287.335 -1.014 20 0 CAADLO C[C@@H](CCNC(=O)C(N)=O)NC(=O)Cc1[nH]cc[nH+]1 ZINC001078117189 776120856 /nfs/dbraw/zinc/12/08/56/776120856.db2.gz LKEMTEKBEWBTBX-ZETCQYMHSA-N 1 2 267.289 -1.552 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(=O)[nH]c2)C1 ZINC001078119993 776123563 /nfs/dbraw/zinc/12/35/63/776123563.db2.gz PPHQZBFZEVECBE-SZEHBUNVSA-N 1 2 294.311 -1.564 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(=O)[nH]c2)C1 ZINC001078119993 776123567 /nfs/dbraw/zinc/12/35/67/776123567.db2.gz PPHQZBFZEVECBE-SZEHBUNVSA-N 1 2 294.311 -1.564 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(=O)[nH]c2)C1 ZINC001078119992 776124642 /nfs/dbraw/zinc/12/46/42/776124642.db2.gz PPHQZBFZEVECBE-FXBDTBDDSA-N 1 2 294.311 -1.564 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(=O)[nH]c2)C1 ZINC001078119992 776124645 /nfs/dbraw/zinc/12/46/45/776124645.db2.gz PPHQZBFZEVECBE-FXBDTBDDSA-N 1 2 294.311 -1.564 20 0 CAADLO CC[C@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cncn2)C1 ZINC001078139892 776126290 /nfs/dbraw/zinc/12/62/90/776126290.db2.gz MSRQHHVWGXXSBQ-OPRDCNLKSA-N 1 2 296.331 -2.297 20 0 CAADLO CC[C@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cncn2)C1 ZINC001078139892 776126302 /nfs/dbraw/zinc/12/63/02/776126302.db2.gz MSRQHHVWGXXSBQ-OPRDCNLKSA-N 1 2 296.331 -2.297 20 0 CAADLO Cc1c[nH]cc1C(=O)N[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@H]1O ZINC001078177042 776128122 /nfs/dbraw/zinc/12/81/22/776128122.db2.gz RQZZQLUASQPCGB-IJLUTSLNSA-N 1 2 292.339 -1.013 20 0 CAADLO Cc1c[nH]cc1C(=O)N[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@H]1O ZINC001078177042 776128126 /nfs/dbraw/zinc/12/81/26/776128126.db2.gz RQZZQLUASQPCGB-IJLUTSLNSA-N 1 2 292.339 -1.013 20 0 CAADLO O=C(Cn1cncn1)N[C@@H]1C[N@@H+](CCF)C[C@H]1O ZINC001078142345 776128402 /nfs/dbraw/zinc/12/84/02/776128402.db2.gz SPGXKFHTBVVMOU-RKDXNWHRSA-N 1 2 257.269 -1.591 20 0 CAADLO O=C(Cn1cncn1)N[C@@H]1C[N@H+](CCF)C[C@H]1O ZINC001078142345 776128407 /nfs/dbraw/zinc/12/84/07/776128407.db2.gz SPGXKFHTBVVMOU-RKDXNWHRSA-N 1 2 257.269 -1.591 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2ccc[nH]2)C1 ZINC001078208191 776131822 /nfs/dbraw/zinc/13/18/22/776131822.db2.gz JOQBPXRUJKVTJI-JMJZKYOTSA-N 1 2 280.328 -1.408 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2ccc[nH]2)C1 ZINC001078208191 776131829 /nfs/dbraw/zinc/13/18/29/776131829.db2.gz JOQBPXRUJKVTJI-JMJZKYOTSA-N 1 2 280.328 -1.408 20 0 CAADLO CNC(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2ccc[nH]2)C1 ZINC001078207026 776131892 /nfs/dbraw/zinc/13/18/92/776131892.db2.gz OENKQDCDPGQKEN-GHMZBOCLSA-N 1 2 280.328 -1.536 20 0 CAADLO CNC(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2ccc[nH]2)C1 ZINC001078207026 776131897 /nfs/dbraw/zinc/13/18/97/776131897.db2.gz OENKQDCDPGQKEN-GHMZBOCLSA-N 1 2 280.328 -1.536 20 0 CAADLO Cc1nccn1CC(=O)N[C@@H]1C[N@H+](CCO)C[C@H]1O ZINC001078182348 776132416 /nfs/dbraw/zinc/13/24/16/776132416.db2.gz QJIBGEPMEMKPGC-GHMZBOCLSA-N 1 2 268.317 -1.655 20 0 CAADLO Cc1nccn1CC(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1O ZINC001078182348 776132423 /nfs/dbraw/zinc/13/24/23/776132423.db2.gz QJIBGEPMEMKPGC-GHMZBOCLSA-N 1 2 268.317 -1.655 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2ccc[nH]2)C1 ZINC001078211015 776133125 /nfs/dbraw/zinc/13/31/25/776133125.db2.gz JAIYTBGVUAWACM-YUSALJHKSA-N 1 2 294.355 -1.147 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2ccc[nH]2)C1 ZINC001078211015 776133133 /nfs/dbraw/zinc/13/31/33/776133133.db2.gz JAIYTBGVUAWACM-YUSALJHKSA-N 1 2 294.355 -1.147 20 0 CAADLO CN1C[C@@H](C(=O)N[C@@H]2C[N@H+](CCF)C[C@H]2O)CCC1=O ZINC001078233893 776135174 /nfs/dbraw/zinc/13/51/74/776135174.db2.gz CPQVRCJLOYAORE-HBNTYKKESA-N 1 2 287.335 -1.014 20 0 CAADLO CN1C[C@@H](C(=O)N[C@@H]2C[N@@H+](CCF)C[C@H]2O)CCC1=O ZINC001078233893 776135179 /nfs/dbraw/zinc/13/51/79/776135179.db2.gz CPQVRCJLOYAORE-HBNTYKKESA-N 1 2 287.335 -1.014 20 0 CAADLO NC(=O)CN1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001078270781 776135384 /nfs/dbraw/zinc/13/53/84/776135384.db2.gz NXRCREAYPHEWJU-RKDXNWHRSA-N 1 2 267.289 -2.470 20 0 CAADLO CNC(=O)[C@H](C)N1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001078272086 776135501 /nfs/dbraw/zinc/13/55/01/776135501.db2.gz GVNYKZVMUVGVRB-HBNTYKKESA-N 1 2 295.343 -1.821 20 0 CAADLO CC[C@@H](C(N)=O)N1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001078272392 776135512 /nfs/dbraw/zinc/13/55/12/776135512.db2.gz UPPFUHDQNCBBBY-OUAUKWLOSA-N 1 2 295.343 -1.692 20 0 CAADLO Cc1nnc(C[NH2+]C[C@@H]2CN(C(=O)C(N)=O)CCCO2)o1 ZINC001078456940 776141217 /nfs/dbraw/zinc/14/12/17/776141217.db2.gz KVRLLCULLNIUBI-SECBINFHSA-N 1 2 297.315 -1.430 20 0 CAADLO NC(=O)C(=O)N1CCCO[C@@H](C[NH2+]Cc2csnn2)C1 ZINC001078457365 776141245 /nfs/dbraw/zinc/14/12/45/776141245.db2.gz VMAJEYCRLAQQKK-VIFPVBQESA-N 1 2 299.356 -1.270 20 0 CAADLO C[C@@H](CCNC(=O)Cc1c[nH]c[nH+]1)NC(=O)C(N)=O ZINC001078753629 776145473 /nfs/dbraw/zinc/14/54/73/776145473.db2.gz DSYUOEIVOLSFQT-ZETCQYMHSA-N 1 2 267.289 -1.552 20 0 CAADLO CN(C(=O)C(=O)NCCCn1cc[nH+]c1)[C@@H]1CCNC1=O ZINC001116977670 776146679 /nfs/dbraw/zinc/14/66/79/776146679.db2.gz UGUDSSCGZWBTBF-SNVBAGLBSA-N 1 2 293.327 -1.264 20 0 CAADLO CC[C@@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)c2ccnnc2)[C@@H](O)C1 ZINC001083804643 776146765 /nfs/dbraw/zinc/14/67/65/776146765.db2.gz OZZVUIMLEMQJAN-VWYCJHECSA-N 1 2 293.327 -1.485 20 0 CAADLO CC[C@@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)c2ccnnc2)[C@@H](O)C1 ZINC001083804643 776146774 /nfs/dbraw/zinc/14/67/74/776146774.db2.gz OZZVUIMLEMQJAN-VWYCJHECSA-N 1 2 293.327 -1.485 20 0 CAADLO CC(=O)N[C@@H]1CC[N@H+](CC(=O)NC2CC2)C[C@H]1O ZINC001089975045 776149913 /nfs/dbraw/zinc/14/99/13/776149913.db2.gz DCRJKYYDIWPOMG-GHMZBOCLSA-N 1 2 255.318 -1.164 20 0 CAADLO CC(=O)N[C@@H]1CC[N@@H+](CC(=O)NC2CC2)C[C@H]1O ZINC001089975045 776149921 /nfs/dbraw/zinc/14/99/21/776149921.db2.gz DCRJKYYDIWPOMG-GHMZBOCLSA-N 1 2 255.318 -1.164 20 0 CAADLO CC(=O)N[C@@H]1CC[N@H+](CC(=O)NC2CC2)C[C@@H]1O ZINC001089975046 776149996 /nfs/dbraw/zinc/14/99/96/776149996.db2.gz DCRJKYYDIWPOMG-MNOVXSKESA-N 1 2 255.318 -1.164 20 0 CAADLO CC(=O)N[C@@H]1CC[N@@H+](CC(=O)NC2CC2)C[C@@H]1O ZINC001089975046 776150002 /nfs/dbraw/zinc/15/00/02/776150002.db2.gz DCRJKYYDIWPOMG-MNOVXSKESA-N 1 2 255.318 -1.164 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cccnc2)[C@@H](O)C1 ZINC001089973690 776150016 /nfs/dbraw/zinc/15/00/16/776150016.db2.gz QNFGCUNVGQSRDU-RYUDHWBXSA-N 1 2 292.339 -1.007 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cccnc2)[C@@H](O)C1 ZINC001089973690 776150021 /nfs/dbraw/zinc/15/00/21/776150021.db2.gz QNFGCUNVGQSRDU-RYUDHWBXSA-N 1 2 292.339 -1.007 20 0 CAADLO Cc1nonc1C[NH2+][C@H]1CN(C(=O)C(N)=O)C[C@H]1C ZINC001055020000 776150187 /nfs/dbraw/zinc/15/01/87/776150187.db2.gz IBRVEQXFEAGMJD-MUWHJKNJSA-N 1 2 267.289 -1.200 20 0 CAADLO CC(=O)N[C@H]1CC[N@@H+](Cc2cnnn2C)C[C@@H]1O ZINC001089977795 776150635 /nfs/dbraw/zinc/15/06/35/776150635.db2.gz YLCGYJOSMCIBBO-QWRGUYRKSA-N 1 2 253.306 -1.114 20 0 CAADLO CC(=O)N[C@H]1CC[N@H+](Cc2cnnn2C)C[C@@H]1O ZINC001089977795 776150639 /nfs/dbraw/zinc/15/06/39/776150639.db2.gz YLCGYJOSMCIBBO-QWRGUYRKSA-N 1 2 253.306 -1.114 20 0 CAADLO C[C@]1(CNC(=O)c2cn[nH]n2)C[N@H+](CCO)CCO1 ZINC001108045985 776151360 /nfs/dbraw/zinc/15/13/60/776151360.db2.gz GVVYCNRCKNNVQC-NSHDSACASA-N 1 2 269.305 -1.382 20 0 CAADLO C[C@]1(CNC(=O)c2cn[nH]n2)C[N@@H+](CCO)CCO1 ZINC001108045985 776151368 /nfs/dbraw/zinc/15/13/68/776151368.db2.gz GVVYCNRCKNNVQC-NSHDSACASA-N 1 2 269.305 -1.382 20 0 CAADLO CC(=O)N[C@@H]1CC[N@@H+](Cc2cnnn2C)C[C@@H]1O ZINC001089977793 776151630 /nfs/dbraw/zinc/15/16/30/776151630.db2.gz YLCGYJOSMCIBBO-MNOVXSKESA-N 1 2 253.306 -1.114 20 0 CAADLO CC(=O)N[C@@H]1CC[N@H+](Cc2cnnn2C)C[C@@H]1O ZINC001089977793 776151632 /nfs/dbraw/zinc/15/16/32/776151632.db2.gz YLCGYJOSMCIBBO-MNOVXSKESA-N 1 2 253.306 -1.114 20 0 CAADLO CC(=O)N[C@@H]1CC[N@@H+](Cc2cnnn2C)C[C@H]1O ZINC001089977792 776151757 /nfs/dbraw/zinc/15/17/57/776151757.db2.gz YLCGYJOSMCIBBO-GHMZBOCLSA-N 1 2 253.306 -1.114 20 0 CAADLO CC(=O)N[C@@H]1CC[N@H+](Cc2cnnn2C)C[C@H]1O ZINC001089977792 776151760 /nfs/dbraw/zinc/15/17/60/776151760.db2.gz YLCGYJOSMCIBBO-GHMZBOCLSA-N 1 2 253.306 -1.114 20 0 CAADLO CCOCC(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C[C@@H]1O ZINC001099647907 776165357 /nfs/dbraw/zinc/16/53/57/776165357.db2.gz LKTOKEXWSNYJEU-BDAKNGLRSA-N 1 2 259.306 -1.940 20 0 CAADLO Cn1[nH]c(C[NH2+]CCNC(=O)Cn2nccn2)nc1=O ZINC001128269494 776155272 /nfs/dbraw/zinc/15/52/72/776155272.db2.gz MWMLZZSTAZPGSB-UHFFFAOYSA-N 1 2 280.292 -2.394 20 0 CAADLO Cc1nonc1C[NH2+]CCNC(=O)Cn1nccn1 ZINC001128270054 776156261 /nfs/dbraw/zinc/15/62/61/776156261.db2.gz YJYNSDIUKDIPOR-UHFFFAOYSA-N 1 2 265.277 -1.124 20 0 CAADLO CC(F)(F)C(=O)N[C@@H]1CC[N@H+](CC(N)=O)C[C@H]1O ZINC001089995853 776168920 /nfs/dbraw/zinc/16/89/20/776168920.db2.gz DPJOVYKFMRYILY-RNFRBKRXSA-N 1 2 265.260 -1.322 20 0 CAADLO CC(F)(F)C(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C[C@H]1O ZINC001089995853 776168927 /nfs/dbraw/zinc/16/89/27/776168927.db2.gz DPJOVYKFMRYILY-RNFRBKRXSA-N 1 2 265.260 -1.322 20 0 CAADLO Cc1nnc(C[NH2+]CCNC(=O)Cn2nccn2)o1 ZINC001128268988 776157509 /nfs/dbraw/zinc/15/75/09/776157509.db2.gz FXYWKRQWMSXBFR-UHFFFAOYSA-N 1 2 265.277 -1.124 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C(F)F)[C@@H](O)C1 ZINC001089983121 776160805 /nfs/dbraw/zinc/16/08/05/776160805.db2.gz HHTLHBDUTATHHW-RQJHMYQMSA-N 1 2 265.260 -1.451 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)C(F)F)[C@@H](O)C1 ZINC001089983121 776160812 /nfs/dbraw/zinc/16/08/12/776160812.db2.gz HHTLHBDUTATHHW-RQJHMYQMSA-N 1 2 265.260 -1.451 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)C(F)F)[C@@H](O)C1 ZINC001089983597 776161049 /nfs/dbraw/zinc/16/10/49/776161049.db2.gz NKTDNNGQIRQVJK-RITPCOANSA-N 1 2 251.233 -1.712 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)C(F)F)[C@@H](O)C1 ZINC001089983597 776161055 /nfs/dbraw/zinc/16/10/55/776161055.db2.gz NKTDNNGQIRQVJK-RITPCOANSA-N 1 2 251.233 -1.712 20 0 CAADLO C[C@H](O)C[N@H+]1C[C@@H](NC(=O)Cc2cnc[nH]2)[C@@H](O)C1 ZINC001083815382 776161856 /nfs/dbraw/zinc/16/18/56/776161856.db2.gz VEISSGOSRBUCQX-GDPRMGEGSA-N 1 2 268.317 -1.506 20 0 CAADLO C[C@H](O)C[N@@H+]1C[C@@H](NC(=O)Cc2cnc[nH]2)[C@@H](O)C1 ZINC001083815382 776161859 /nfs/dbraw/zinc/16/18/59/776161859.db2.gz VEISSGOSRBUCQX-GDPRMGEGSA-N 1 2 268.317 -1.506 20 0 CAADLO CC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CCNC1=O ZINC001051065752 776162156 /nfs/dbraw/zinc/16/21/56/776162156.db2.gz JIMKCBZCRHJUSR-UWVGGRQHSA-N 1 2 255.318 -1.041 20 0 CAADLO CC[N@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CCNC1=O ZINC001051065752 776162165 /nfs/dbraw/zinc/16/21/65/776162165.db2.gz JIMKCBZCRHJUSR-UWVGGRQHSA-N 1 2 255.318 -1.041 20 0 CAADLO CC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@H]1COC(=O)N1 ZINC001050894456 776162382 /nfs/dbraw/zinc/16/23/82/776162382.db2.gz QHGPWORQPFKWNJ-DTWKUNHWSA-N 1 2 257.290 -1.068 20 0 CAADLO CC[N@H+]1CCOC[C@@H]1CNC(=O)[C@H]1COC(=O)N1 ZINC001050894456 776162384 /nfs/dbraw/zinc/16/23/84/776162384.db2.gz QHGPWORQPFKWNJ-DTWKUNHWSA-N 1 2 257.290 -1.068 20 0 CAADLO CC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CCNC1=O ZINC001051065753 776162408 /nfs/dbraw/zinc/16/24/08/776162408.db2.gz JIMKCBZCRHJUSR-VHSXEESVSA-N 1 2 255.318 -1.041 20 0 CAADLO CC[N@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CCNC1=O ZINC001051065753 776162410 /nfs/dbraw/zinc/16/24/10/776162410.db2.gz JIMKCBZCRHJUSR-VHSXEESVSA-N 1 2 255.318 -1.041 20 0 CAADLO COCC(=O)NC[C@H]1COCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001061203257 776163625 /nfs/dbraw/zinc/16/36/25/776163625.db2.gz FAMDHSKSGMXTES-NSHDSACASA-N 1 2 296.327 -1.058 20 0 CAADLO COCC(=O)NC[C@H]1COCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001061199940 776164062 /nfs/dbraw/zinc/16/40/62/776164062.db2.gz QGJALWOVQQFCAC-JTQLQIEISA-N 1 2 296.327 -1.058 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)C2CC2)[C@H](O)C1 ZINC001089988152 776165007 /nfs/dbraw/zinc/16/50/07/776165007.db2.gz FPMCHHIWNTWDGW-VHSXEESVSA-N 1 2 255.318 -1.306 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)C2CC2)[C@H](O)C1 ZINC001089988152 776165012 /nfs/dbraw/zinc/16/50/12/776165012.db2.gz FPMCHHIWNTWDGW-VHSXEESVSA-N 1 2 255.318 -1.306 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C2CC2)[C@@H](O)C1 ZINC001089988154 776165305 /nfs/dbraw/zinc/16/53/05/776165305.db2.gz FPMCHHIWNTWDGW-ZJUUUORDSA-N 1 2 255.318 -1.306 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)C2CC2)[C@@H](O)C1 ZINC001089988154 776165306 /nfs/dbraw/zinc/16/53/06/776165306.db2.gz FPMCHHIWNTWDGW-ZJUUUORDSA-N 1 2 255.318 -1.306 20 0 CAADLO CCOCC(=O)N[C@@H]1CC[N@H+](CC(N)=O)C[C@@H]1O ZINC001099647907 776165354 /nfs/dbraw/zinc/16/53/54/776165354.db2.gz LKTOKEXWSNYJEU-BDAKNGLRSA-N 1 2 259.306 -1.940 20 0 CAADLO CCOCC(=O)N[C@H]1CC[N@H+](CC(N)=O)C[C@@H]1O ZINC001099647909 776165381 /nfs/dbraw/zinc/16/53/81/776165381.db2.gz LKTOKEXWSNYJEU-IUCAKERBSA-N 1 2 259.306 -1.940 20 0 CAADLO CCOCC(=O)N[C@H]1CC[N@@H+](CC(N)=O)C[C@@H]1O ZINC001099647909 776165383 /nfs/dbraw/zinc/16/53/83/776165383.db2.gz LKTOKEXWSNYJEU-IUCAKERBSA-N 1 2 259.306 -1.940 20 0 CAADLO COC(=O)[C@H](Cc1c[nH+]cn1C)NC(=O)[C@H]1CCC(=O)N1 ZINC001143128300 776167283 /nfs/dbraw/zinc/16/72/83/776167283.db2.gz OWGLEPYODDAWJC-ZJUUUORDSA-N 1 2 294.311 -1.101 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)C2CCC2)[C@@H](O)C1 ZINC001090000924 776168203 /nfs/dbraw/zinc/16/82/03/776168203.db2.gz JNLWPLPGUZAKMU-ZJUUUORDSA-N 1 2 255.318 -1.177 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)C2CCC2)[C@@H](O)C1 ZINC001090000924 776168210 /nfs/dbraw/zinc/16/82/10/776168210.db2.gz JNLWPLPGUZAKMU-ZJUUUORDSA-N 1 2 255.318 -1.177 20 0 CAADLO CC(F)(F)C(=O)N[C@@H]1CC[N@H+](CC(N)=O)C[C@@H]1O ZINC001089995854 776168258 /nfs/dbraw/zinc/16/82/58/776168258.db2.gz DPJOVYKFMRYILY-RQJHMYQMSA-N 1 2 265.260 -1.322 20 0 CAADLO CC(F)(F)C(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C[C@@H]1O ZINC001089995854 776168262 /nfs/dbraw/zinc/16/82/62/776168262.db2.gz DPJOVYKFMRYILY-RQJHMYQMSA-N 1 2 265.260 -1.322 20 0 CAADLO CC(F)(F)C(=O)N[C@H]1CC[N@H+](CC(N)=O)C[C@@H]1O ZINC001089995845 776168448 /nfs/dbraw/zinc/16/84/48/776168448.db2.gz DPJOVYKFMRYILY-BQBZGAKWSA-N 1 2 265.260 -1.322 20 0 CAADLO CC(F)(F)C(=O)N[C@H]1CC[N@@H+](CC(N)=O)C[C@@H]1O ZINC001089995845 776168449 /nfs/dbraw/zinc/16/84/49/776168449.db2.gz DPJOVYKFMRYILY-BQBZGAKWSA-N 1 2 265.260 -1.322 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C(C)(F)F)[C@H](O)C1 ZINC001089999498 776169105 /nfs/dbraw/zinc/16/91/05/776169105.db2.gz ZNNIKMALCCVFSM-HTQZYQBOSA-N 1 2 279.287 -1.061 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)C(C)(F)F)[C@H](O)C1 ZINC001089999498 776169107 /nfs/dbraw/zinc/16/91/07/776169107.db2.gz ZNNIKMALCCVFSM-HTQZYQBOSA-N 1 2 279.287 -1.061 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)C(C)(F)F)[C@@H](O)C1 ZINC001089999503 776169505 /nfs/dbraw/zinc/16/95/05/776169505.db2.gz ZNNIKMALCCVFSM-YUMQZZPRSA-N 1 2 279.287 -1.061 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)C(C)(F)F)[C@@H](O)C1 ZINC001089999503 776169512 /nfs/dbraw/zinc/16/95/12/776169512.db2.gz ZNNIKMALCCVFSM-YUMQZZPRSA-N 1 2 279.287 -1.061 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)CC2CC2)[C@H](O)C1 ZINC001090011819 776170267 /nfs/dbraw/zinc/17/02/67/776170267.db2.gz ZFUYXOSDXWCMGD-VHSXEESVSA-N 1 2 255.318 -1.177 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)CC2CC2)[C@H](O)C1 ZINC001090011819 776170269 /nfs/dbraw/zinc/17/02/69/776170269.db2.gz ZFUYXOSDXWCMGD-VHSXEESVSA-N 1 2 255.318 -1.177 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2ccccn2)[C@H](O)C1 ZINC001090006111 776170492 /nfs/dbraw/zinc/17/04/92/776170492.db2.gz JQGHWWIUCTZLNJ-CMPLNLGQSA-N 1 2 292.339 -1.007 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)c2ccccn2)[C@H](O)C1 ZINC001090006111 776170498 /nfs/dbraw/zinc/17/04/98/776170498.db2.gz JQGHWWIUCTZLNJ-CMPLNLGQSA-N 1 2 292.339 -1.007 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ccccn2)[C@@H](O)C1 ZINC001090014861 776171692 /nfs/dbraw/zinc/17/16/92/776171692.db2.gz ULWMFNRPTHQGPP-KOLCDFICSA-N 1 2 278.312 -1.268 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)c2ccccn2)[C@@H](O)C1 ZINC001090014861 776171698 /nfs/dbraw/zinc/17/16/98/776171698.db2.gz ULWMFNRPTHQGPP-KOLCDFICSA-N 1 2 278.312 -1.268 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cccnc2)[C@H](O)C1 ZINC001090015811 776171826 /nfs/dbraw/zinc/17/18/26/776171826.db2.gz BZDVJDFKQSBTOC-GHMZBOCLSA-N 1 2 278.312 -1.268 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cccnc2)[C@H](O)C1 ZINC001090015811 776171834 /nfs/dbraw/zinc/17/18/34/776171834.db2.gz BZDVJDFKQSBTOC-GHMZBOCLSA-N 1 2 278.312 -1.268 20 0 CAADLO CN(C(=O)c1cc(=O)n2[nH]cnc2n1)C1C[NH+](CCO)C1 ZINC001044180970 776172043 /nfs/dbraw/zinc/17/20/43/776172043.db2.gz SLFCISUXCURCOP-UHFFFAOYSA-N 1 2 292.299 -1.834 20 0 CAADLO CC[N@@H+]1CCn2ncc(CNC(=O)C(N)=O)c2C1 ZINC001128471047 776172230 /nfs/dbraw/zinc/17/22/30/776172230.db2.gz KJKRYDDIPZFDJC-UHFFFAOYSA-N 1 2 251.290 -1.180 20 0 CAADLO CC[N@H+]1CCn2ncc(CNC(=O)C(N)=O)c2C1 ZINC001128471047 776172234 /nfs/dbraw/zinc/17/22/34/776172234.db2.gz KJKRYDDIPZFDJC-UHFFFAOYSA-N 1 2 251.290 -1.180 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ccncc2)[C@H](O)C1 ZINC001090015671 776172357 /nfs/dbraw/zinc/17/23/57/776172357.db2.gz YOAGBVZNWMRUCW-VXGBXAGGSA-N 1 2 292.339 -1.007 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2ccncc2)[C@H](O)C1 ZINC001090015671 776172362 /nfs/dbraw/zinc/17/23/62/776172362.db2.gz YOAGBVZNWMRUCW-VXGBXAGGSA-N 1 2 292.339 -1.007 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)C2CCOCC2)[C@@H](O)C1 ZINC001090014847 776172668 /nfs/dbraw/zinc/17/26/68/776172668.db2.gz UJCZBMDIWTWMSU-QWRGUYRKSA-N 1 2 285.344 -1.550 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)C2CCOCC2)[C@@H](O)C1 ZINC001090014847 776172673 /nfs/dbraw/zinc/17/26/73/776172673.db2.gz UJCZBMDIWTWMSU-QWRGUYRKSA-N 1 2 285.344 -1.550 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cnccn2)[C@@H](O)C1 ZINC001090030326 776173113 /nfs/dbraw/zinc/17/31/13/776173113.db2.gz KMWUHURHPISYHO-ONGXEEELSA-N 1 2 293.327 -1.612 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cnccn2)[C@@H](O)C1 ZINC001090030326 776173117 /nfs/dbraw/zinc/17/31/17/776173117.db2.gz KMWUHURHPISYHO-ONGXEEELSA-N 1 2 293.327 -1.612 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C2=COCCO2)[C@@H](O)C1 ZINC001090026450 776173144 /nfs/dbraw/zinc/17/31/44/776173144.db2.gz MNJITJXRMBGWPE-ZJUUUORDSA-N 1 2 299.327 -1.828 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)C2=COCCO2)[C@@H](O)C1 ZINC001090026450 776173149 /nfs/dbraw/zinc/17/31/49/776173149.db2.gz MNJITJXRMBGWPE-ZJUUUORDSA-N 1 2 299.327 -1.828 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)C2=COCCO2)[C@@H](O)C1 ZINC001090030653 776173178 /nfs/dbraw/zinc/17/31/78/776173178.db2.gz LEROKFWPDKEJMV-IUCAKERBSA-N 1 2 285.300 -2.089 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)C2=COCCO2)[C@@H](O)C1 ZINC001090030653 776173181 /nfs/dbraw/zinc/17/31/81/776173181.db2.gz LEROKFWPDKEJMV-IUCAKERBSA-N 1 2 285.300 -2.089 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)C2=COCCO2)[C@H](O)C1 ZINC001090030654 776173290 /nfs/dbraw/zinc/17/32/90/776173290.db2.gz LEROKFWPDKEJMV-RKDXNWHRSA-N 1 2 285.300 -2.089 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)C2=COCCO2)[C@H](O)C1 ZINC001090030654 776173296 /nfs/dbraw/zinc/17/32/96/776173296.db2.gz LEROKFWPDKEJMV-RKDXNWHRSA-N 1 2 285.300 -2.089 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cc(C)on2)[C@H](O)C1 ZINC001090029307 776173566 /nfs/dbraw/zinc/17/35/66/776173566.db2.gz FWHBEIDEMDJJEZ-MWLCHTKSSA-N 1 2 296.327 -1.106 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cc(C)on2)[C@H](O)C1 ZINC001090029307 776173574 /nfs/dbraw/zinc/17/35/74/776173574.db2.gz FWHBEIDEMDJJEZ-MWLCHTKSSA-N 1 2 296.327 -1.106 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cnccn2)[C@@H](O)C1 ZINC001090030322 776173706 /nfs/dbraw/zinc/17/37/06/776173706.db2.gz KMWUHURHPISYHO-KOLCDFICSA-N 1 2 293.327 -1.612 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cnccn2)[C@@H](O)C1 ZINC001090030322 776173708 /nfs/dbraw/zinc/17/37/08/776173708.db2.gz KMWUHURHPISYHO-KOLCDFICSA-N 1 2 293.327 -1.612 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cc(C)on2)[C@@H](O)C1 ZINC001090029305 776173750 /nfs/dbraw/zinc/17/37/50/776173750.db2.gz FWHBEIDEMDJJEZ-KOLCDFICSA-N 1 2 296.327 -1.106 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cc(C)on2)[C@@H](O)C1 ZINC001090029305 776173754 /nfs/dbraw/zinc/17/37/54/776173754.db2.gz FWHBEIDEMDJJEZ-KOLCDFICSA-N 1 2 296.327 -1.106 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ccco2)[C@@H](O)C1 ZINC001090021645 776173764 /nfs/dbraw/zinc/17/37/64/776173764.db2.gz WOOFLOYMPSTQBN-BDAKNGLRSA-N 1 2 267.285 -1.070 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)c2ccco2)[C@@H](O)C1 ZINC001090021645 776173770 /nfs/dbraw/zinc/17/37/70/776173770.db2.gz WOOFLOYMPSTQBN-BDAKNGLRSA-N 1 2 267.285 -1.070 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cc(C)on2)[C@H](O)C1 ZINC001090029303 776173911 /nfs/dbraw/zinc/17/39/11/776173911.db2.gz FWHBEIDEMDJJEZ-GXSJLCMTSA-N 1 2 296.327 -1.106 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cc(C)on2)[C@H](O)C1 ZINC001090029303 776173913 /nfs/dbraw/zinc/17/39/13/776173913.db2.gz FWHBEIDEMDJJEZ-GXSJLCMTSA-N 1 2 296.327 -1.106 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CSC)[C@@H](O)C1 ZINC001099650222 776173961 /nfs/dbraw/zinc/17/39/61/776173961.db2.gz BNQSTGLUDICCGK-BDAKNGLRSA-N 1 2 275.374 -1.353 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)CSC)[C@@H](O)C1 ZINC001099650222 776173965 /nfs/dbraw/zinc/17/39/65/776173965.db2.gz BNQSTGLUDICCGK-BDAKNGLRSA-N 1 2 275.374 -1.353 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)C2=COCCO2)[C@H](O)C1 ZINC001090030652 776174066 /nfs/dbraw/zinc/17/40/66/776174066.db2.gz LEROKFWPDKEJMV-DTWKUNHWSA-N 1 2 285.300 -2.089 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)C2=COCCO2)[C@H](O)C1 ZINC001090030652 776174071 /nfs/dbraw/zinc/17/40/71/776174071.db2.gz LEROKFWPDKEJMV-DTWKUNHWSA-N 1 2 285.300 -2.089 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cc[n+]([O-])cc2)[C@H](O)C1 ZINC001090046332 776175405 /nfs/dbraw/zinc/17/54/05/776175405.db2.gz OPLXNARHYYXZEY-GHMZBOCLSA-N 1 2 294.311 -2.030 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cc[n+]([O-])cc2)[C@H](O)C1 ZINC001090046332 776175407 /nfs/dbraw/zinc/17/54/07/776175407.db2.gz OPLXNARHYYXZEY-GHMZBOCLSA-N 1 2 294.311 -2.030 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cnccn2)[C@@H](O)C1 ZINC001090037805 776175475 /nfs/dbraw/zinc/17/54/75/776175475.db2.gz LHDLPOLAHBPMBH-WPRPVWTQSA-N 1 2 279.300 -1.873 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)c2cnccn2)[C@@H](O)C1 ZINC001090037805 776175478 /nfs/dbraw/zinc/17/54/78/776175478.db2.gz LHDLPOLAHBPMBH-WPRPVWTQSA-N 1 2 279.300 -1.873 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cn2cnnn2)[C@@H](O)C1 ZINC001090053744 776176736 /nfs/dbraw/zinc/17/67/36/776176736.db2.gz DMLVYPKNOGDWPJ-BDAKNGLRSA-N 1 2 297.319 -3.030 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)Cn2cnnn2)[C@@H](O)C1 ZINC001090053744 776176743 /nfs/dbraw/zinc/17/67/43/776176743.db2.gz DMLVYPKNOGDWPJ-BDAKNGLRSA-N 1 2 297.319 -3.030 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)c2ccc(=O)[nH]n2)[C@H](O)C1 ZINC001090050584 776177492 /nfs/dbraw/zinc/17/74/92/776177492.db2.gz PPUXKRMLUCYPCM-IONNQARKSA-N 1 2 295.299 -2.168 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)c2ccc(=O)[nH]n2)[C@H](O)C1 ZINC001090050584 776177497 /nfs/dbraw/zinc/17/74/97/776177497.db2.gz PPUXKRMLUCYPCM-IONNQARKSA-N 1 2 295.299 -2.168 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)c2ccc(=O)[nH]n2)[C@@H](O)C1 ZINC001090050583 776177626 /nfs/dbraw/zinc/17/76/26/776177626.db2.gz PPUXKRMLUCYPCM-CBAPKCEASA-N 1 2 295.299 -2.168 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)c2ccc(=O)[nH]n2)[C@@H](O)C1 ZINC001090050583 776177633 /nfs/dbraw/zinc/17/76/33/776177633.db2.gz PPUXKRMLUCYPCM-CBAPKCEASA-N 1 2 295.299 -2.168 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cc(C)no2)[C@H](O)C1 ZINC001090055911 776177644 /nfs/dbraw/zinc/17/76/44/776177644.db2.gz ANQLVUWRHOYPRH-NXEZZACHSA-N 1 2 296.327 -1.106 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cc(C)no2)[C@H](O)C1 ZINC001090055911 776177649 /nfs/dbraw/zinc/17/76/49/776177649.db2.gz ANQLVUWRHOYPRH-NXEZZACHSA-N 1 2 296.327 -1.106 20 0 CAADLO Cn1cc(C(=O)N[C@@H]2CC[N@H+](CC(N)=O)C[C@@H]2O)cn1 ZINC001090061294 776178973 /nfs/dbraw/zinc/17/89/73/776178973.db2.gz PHEXGJHSTXXPKV-ZJUUUORDSA-N 1 2 281.316 -1.930 20 0 CAADLO Cn1cc(C(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C[C@@H]2O)cn1 ZINC001090061294 776178977 /nfs/dbraw/zinc/17/89/77/776178977.db2.gz PHEXGJHSTXXPKV-ZJUUUORDSA-N 1 2 281.316 -1.930 20 0 CAADLO Cn1cc(C(=O)N[C@H]2CC[N@H+](CC(N)=O)C[C@@H]2O)cn1 ZINC001090061291 776179027 /nfs/dbraw/zinc/17/90/27/776179027.db2.gz PHEXGJHSTXXPKV-UWVGGRQHSA-N 1 2 281.316 -1.930 20 0 CAADLO Cn1cc(C(=O)N[C@H]2CC[N@@H+](CC(N)=O)C[C@@H]2O)cn1 ZINC001090061291 776179032 /nfs/dbraw/zinc/17/90/32/776179032.db2.gz PHEXGJHSTXXPKV-UWVGGRQHSA-N 1 2 281.316 -1.930 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cn2cnnn2)[C@@H](O)C1 ZINC001090058353 776179279 /nfs/dbraw/zinc/17/92/79/776179279.db2.gz QCHLNGDPLREQAM-SFYZADRCSA-N 1 2 283.292 -3.290 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)Cn2cnnn2)[C@@H](O)C1 ZINC001090058353 776179283 /nfs/dbraw/zinc/17/92/83/776179283.db2.gz QCHLNGDPLREQAM-SFYZADRCSA-N 1 2 283.292 -3.290 20 0 CAADLO Cc1nnsc1C(=O)N[C@@H]1CC[N@H+](CC(N)=O)C[C@H]1O ZINC001090066034 776180147 /nfs/dbraw/zinc/18/01/47/776180147.db2.gz UUSKEYRPPPBXRZ-HTQZYQBOSA-N 1 2 299.356 -1.503 20 0 CAADLO Cc1nnsc1C(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C[C@H]1O ZINC001090066034 776180149 /nfs/dbraw/zinc/18/01/49/776180149.db2.gz UUSKEYRPPPBXRZ-HTQZYQBOSA-N 1 2 299.356 -1.503 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cn2cccn2)[C@@H](O)C1 ZINC001090071958 776180507 /nfs/dbraw/zinc/18/05/07/776180507.db2.gz IUTGWXGXOHSVCW-MNOVXSKESA-N 1 2 295.343 -1.820 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)Cn2cccn2)[C@@H](O)C1 ZINC001090071958 776180513 /nfs/dbraw/zinc/18/05/13/776180513.db2.gz IUTGWXGXOHSVCW-MNOVXSKESA-N 1 2 295.343 -1.820 20 0 CAADLO Cc1nnsc1C(=O)N[C@H]1CC[N@H+](CC(N)=O)C[C@H]1O ZINC001090066036 776180584 /nfs/dbraw/zinc/18/05/84/776180584.db2.gz UUSKEYRPPPBXRZ-JGVFFNPUSA-N 1 2 299.356 -1.503 20 0 CAADLO Cc1nnsc1C(=O)N[C@H]1CC[N@@H+](CC(N)=O)C[C@H]1O ZINC001090066036 776180589 /nfs/dbraw/zinc/18/05/89/776180589.db2.gz UUSKEYRPPPBXRZ-JGVFFNPUSA-N 1 2 299.356 -1.503 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ccc[nH]2)[C@H](O)C1 ZINC001090067977 776180615 /nfs/dbraw/zinc/18/06/15/776180615.db2.gz IFGQXMZDXKEHRE-PSASIEDQSA-N 1 2 266.301 -1.335 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)c2ccc[nH]2)[C@H](O)C1 ZINC001090067977 776180621 /nfs/dbraw/zinc/18/06/21/776180621.db2.gz IFGQXMZDXKEHRE-PSASIEDQSA-N 1 2 266.301 -1.335 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)CN2CCCC2=O)[C@H](O)C1 ZINC001090061423 776180939 /nfs/dbraw/zinc/18/09/39/776180939.db2.gz QIDPIQQBXHGOLI-VHSXEESVSA-N 1 2 298.343 -2.355 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)CN2CCCC2=O)[C@H](O)C1 ZINC001090061423 776180942 /nfs/dbraw/zinc/18/09/42/776180942.db2.gz QIDPIQQBXHGOLI-VHSXEESVSA-N 1 2 298.343 -2.355 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2ccc[nH]2)[C@@H](O)C1 ZINC001090069601 776181001 /nfs/dbraw/zinc/18/10/01/776181001.db2.gz QZXXDWVMZPQXCJ-ONGXEEELSA-N 1 2 280.328 -1.074 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)c2ccc[nH]2)[C@@H](O)C1 ZINC001090069601 776181003 /nfs/dbraw/zinc/18/10/03/776181003.db2.gz QZXXDWVMZPQXCJ-ONGXEEELSA-N 1 2 280.328 -1.074 20 0 CAADLO Cc1nnsc1C(=O)N[C@@H]1CC[N@H+](CC(N)=O)C[C@@H]1O ZINC001090066038 776181052 /nfs/dbraw/zinc/18/10/52/776181052.db2.gz UUSKEYRPPPBXRZ-SFYZADRCSA-N 1 2 299.356 -1.503 20 0 CAADLO Cc1nnsc1C(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C[C@@H]1O ZINC001090066038 776181053 /nfs/dbraw/zinc/18/10/53/776181053.db2.gz UUSKEYRPPPBXRZ-SFYZADRCSA-N 1 2 299.356 -1.503 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)Cn2cccn2)[C@@H](O)C1 ZINC001090071959 776181061 /nfs/dbraw/zinc/18/10/61/776181061.db2.gz IUTGWXGXOHSVCW-QWRGUYRKSA-N 1 2 295.343 -1.820 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)Cn2cccn2)[C@@H](O)C1 ZINC001090071959 776181062 /nfs/dbraw/zinc/18/10/62/776181062.db2.gz IUTGWXGXOHSVCW-QWRGUYRKSA-N 1 2 295.343 -1.820 20 0 CAADLO Cc1noc(C)c1C(=O)N[C@H]1CC[N@H+](CC(N)=O)C[C@H]1O ZINC001090064601 776181143 /nfs/dbraw/zinc/18/11/43/776181143.db2.gz LBMJOSBEJTWEQW-VHSXEESVSA-N 1 2 296.327 -1.058 20 0 CAADLO Cc1noc(C)c1C(=O)N[C@H]1CC[N@@H+](CC(N)=O)C[C@H]1O ZINC001090064601 776181146 /nfs/dbraw/zinc/18/11/46/776181146.db2.gz LBMJOSBEJTWEQW-VHSXEESVSA-N 1 2 296.327 -1.058 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ccc[nH]2)[C@@H](O)C1 ZINC001090067983 776181195 /nfs/dbraw/zinc/18/11/95/776181195.db2.gz IFGQXMZDXKEHRE-SCZZXKLOSA-N 1 2 266.301 -1.335 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)c2ccc[nH]2)[C@@H](O)C1 ZINC001090067983 776181199 /nfs/dbraw/zinc/18/11/99/776181199.db2.gz IFGQXMZDXKEHRE-SCZZXKLOSA-N 1 2 266.301 -1.335 20 0 CAADLO Cc1c(C(=O)N[C@H]2CC[N@H+](CC(N)=O)C[C@@H]2O)cnn1C ZINC001090078237 776181783 /nfs/dbraw/zinc/18/17/83/776181783.db2.gz DRHFZOFKRNMHAB-QWRGUYRKSA-N 1 2 295.343 -1.621 20 0 CAADLO Cc1c(C(=O)N[C@H]2CC[N@@H+](CC(N)=O)C[C@@H]2O)cnn1C ZINC001090078237 776181791 /nfs/dbraw/zinc/18/17/91/776181791.db2.gz DRHFZOFKRNMHAB-QWRGUYRKSA-N 1 2 295.343 -1.621 20 0 CAADLO Cc1c(C(=O)N[C@H]2CC[N@H+](CC(N)=O)C[C@H]2O)cnn1C ZINC001090078238 776182332 /nfs/dbraw/zinc/18/23/32/776182332.db2.gz DRHFZOFKRNMHAB-WDEREUQCSA-N 1 2 295.343 -1.621 20 0 CAADLO Cc1c(C(=O)N[C@H]2CC[N@@H+](CC(N)=O)C[C@H]2O)cnn1C ZINC001090078238 776182338 /nfs/dbraw/zinc/18/23/38/776182338.db2.gz DRHFZOFKRNMHAB-WDEREUQCSA-N 1 2 295.343 -1.621 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2ccon2)[C@H](O)C1 ZINC001090091009 776183163 /nfs/dbraw/zinc/18/31/63/776183163.db2.gz AHVUOAJQGDJNME-WCBMZHEXSA-N 1 2 282.300 -1.414 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)c2ccon2)[C@H](O)C1 ZINC001090091009 776183218 /nfs/dbraw/zinc/18/32/18/776183218.db2.gz AHVUOAJQGDJNME-WCBMZHEXSA-N 1 2 282.300 -1.414 20 0 CAADLO CN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ccon2)[C@@H](O)C1 ZINC001090095920 776183469 /nfs/dbraw/zinc/18/34/69/776183469.db2.gz JEGZRLAYIGPDPD-KOLCDFICSA-N 1 2 296.327 -1.072 20 0 CAADLO CN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)c2ccon2)[C@@H](O)C1 ZINC001090095920 776183477 /nfs/dbraw/zinc/18/34/77/776183477.db2.gz JEGZRLAYIGPDPD-KOLCDFICSA-N 1 2 296.327 -1.072 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cccn2C)[C@H](O)C1 ZINC001090089795 776183669 /nfs/dbraw/zinc/18/36/69/776183669.db2.gz YPWMGQIIXTZKQI-ZYHUDNBSSA-N 1 2 294.355 -1.064 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cccn2C)[C@H](O)C1 ZINC001090089795 776183675 /nfs/dbraw/zinc/18/36/75/776183675.db2.gz YPWMGQIIXTZKQI-ZYHUDNBSSA-N 1 2 294.355 -1.064 20 0 CAADLO C[C@H]([NH2+]CCCNC(=O)c1ncn[nH]1)c1nnnn1C ZINC001168730962 776183915 /nfs/dbraw/zinc/18/39/15/776183915.db2.gz BLXAKNWGMKCBDO-ZETCQYMHSA-N 1 2 279.308 -1.201 20 0 CAADLO C[C@H]([NH2+]CCCNC(=O)c1nc[nH]n1)c1nnnn1C ZINC001168730962 776183918 /nfs/dbraw/zinc/18/39/18/776183918.db2.gz BLXAKNWGMKCBDO-ZETCQYMHSA-N 1 2 279.308 -1.201 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2ccon2)[C@@H](O)C1 ZINC001090091011 776183999 /nfs/dbraw/zinc/18/39/99/776183999.db2.gz AHVUOAJQGDJNME-WPRPVWTQSA-N 1 2 282.300 -1.414 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)c2ccon2)[C@@H](O)C1 ZINC001090091011 776184002 /nfs/dbraw/zinc/18/40/02/776184002.db2.gz AHVUOAJQGDJNME-WPRPVWTQSA-N 1 2 282.300 -1.414 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)c2ccon2)[C@@H](O)C1 ZINC001090091374 776184094 /nfs/dbraw/zinc/18/40/94/776184094.db2.gz AXAOLLBVQORLGB-CBAPKCEASA-N 1 2 268.273 -1.675 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)c2ccon2)[C@@H](O)C1 ZINC001090091374 776184097 /nfs/dbraw/zinc/18/40/97/776184097.db2.gz AXAOLLBVQORLGB-CBAPKCEASA-N 1 2 268.273 -1.675 20 0 CAADLO Cn1cccc1C(=O)N[C@@H]1CC[N@H+](CC(N)=O)C[C@@H]1O ZINC001090092497 776184122 /nfs/dbraw/zinc/18/41/22/776184122.db2.gz PHPQQKFYFTZYIZ-KOLCDFICSA-N 1 2 280.328 -1.325 20 0 CAADLO Cn1cccc1C(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C[C@@H]1O ZINC001090092497 776184125 /nfs/dbraw/zinc/18/41/25/776184125.db2.gz PHPQQKFYFTZYIZ-KOLCDFICSA-N 1 2 280.328 -1.325 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cn[nH]c2)[C@H](O)C1 ZINC001090100687 776184918 /nfs/dbraw/zinc/18/49/18/776184918.db2.gz UFJDHIJCFKTOTP-VHSXEESVSA-N 1 2 281.316 -1.679 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cn[nH]c2)[C@H](O)C1 ZINC001090100687 776184923 /nfs/dbraw/zinc/18/49/23/776184923.db2.gz UFJDHIJCFKTOTP-VHSXEESVSA-N 1 2 281.316 -1.679 20 0 CAADLO Cc1ncncc1C(=O)N[C@H]1CC[N@H+](CC(N)=O)C[C@H]1O ZINC001090097265 776185196 /nfs/dbraw/zinc/18/51/96/776185196.db2.gz WTKJEWYQUPJUHO-WDEREUQCSA-N 1 2 293.327 -1.565 20 0 CAADLO Cc1ncncc1C(=O)N[C@H]1CC[N@@H+](CC(N)=O)C[C@H]1O ZINC001090097265 776185202 /nfs/dbraw/zinc/18/52/02/776185202.db2.gz WTKJEWYQUPJUHO-WDEREUQCSA-N 1 2 293.327 -1.565 20 0 CAADLO CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCCS(=O)(=O)C2)[C@@H](O)C1 ZINC001083829356 776185512 /nfs/dbraw/zinc/18/55/12/776185512.db2.gz LAERVFMTNRQGTE-AXFHLTTASA-N 1 2 290.385 -1.008 20 0 CAADLO CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCS(=O)(=O)C2)[C@@H](O)C1 ZINC001083829356 776185515 /nfs/dbraw/zinc/18/55/15/776185515.db2.gz LAERVFMTNRQGTE-AXFHLTTASA-N 1 2 290.385 -1.008 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cnns2)[C@H](O)C1 ZINC001090101862 776185579 /nfs/dbraw/zinc/18/55/79/776185579.db2.gz CQLFMXSKFQYWOC-HTQZYQBOSA-N 1 2 299.356 -1.551 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cnns2)[C@H](O)C1 ZINC001090101862 776185584 /nfs/dbraw/zinc/18/55/84/776185584.db2.gz CQLFMXSKFQYWOC-HTQZYQBOSA-N 1 2 299.356 -1.551 20 0 CAADLO Cc1ncncc1C(=O)N[C@H]1CC[N@H+](CC(N)=O)C[C@@H]1O ZINC001090097264 776185684 /nfs/dbraw/zinc/18/56/84/776185684.db2.gz WTKJEWYQUPJUHO-QWRGUYRKSA-N 1 2 293.327 -1.565 20 0 CAADLO Cc1ncncc1C(=O)N[C@H]1CC[N@@H+](CC(N)=O)C[C@@H]1O ZINC001090097264 776185690 /nfs/dbraw/zinc/18/56/90/776185690.db2.gz WTKJEWYQUPJUHO-QWRGUYRKSA-N 1 2 293.327 -1.565 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cn[nH]c2)[C@@H](O)C1 ZINC001090100689 776185702 /nfs/dbraw/zinc/18/57/02/776185702.db2.gz UFJDHIJCFKTOTP-ZJUUUORDSA-N 1 2 281.316 -1.679 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cn[nH]c2)[C@@H](O)C1 ZINC001090100689 776185707 /nfs/dbraw/zinc/18/57/07/776185707.db2.gz UFJDHIJCFKTOTP-ZJUUUORDSA-N 1 2 281.316 -1.679 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ccn[nH]2)[C@@H](O)C1 ZINC001090101546 776187103 /nfs/dbraw/zinc/18/71/03/776187103.db2.gz ZETWOIUIJIDHEO-APPZFPTMSA-N 1 2 267.289 -1.940 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)c2ccn[nH]2)[C@@H](O)C1 ZINC001090101546 776187109 /nfs/dbraw/zinc/18/71/09/776187109.db2.gz ZETWOIUIJIDHEO-APPZFPTMSA-N 1 2 267.289 -1.940 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ccn[nH]2)[C@@H](O)C1 ZINC001090101599 776187329 /nfs/dbraw/zinc/18/73/29/776187329.db2.gz ZVGHFSOWNGLSTF-SCZZXKLOSA-N 1 2 281.316 -1.679 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2ccn[nH]2)[C@@H](O)C1 ZINC001090101599 776187331 /nfs/dbraw/zinc/18/73/31/776187331.db2.gz ZVGHFSOWNGLSTF-SCZZXKLOSA-N 1 2 281.316 -1.679 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)Cc2cscn2)[C@@H](O)C1 ZINC001083836594 776187464 /nfs/dbraw/zinc/18/74/64/776187464.db2.gz MCLJYOOZZDWTRS-SFGNSQDASA-N 1 2 298.368 -1.279 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)Cc2cscn2)[C@@H](O)C1 ZINC001083836594 776187466 /nfs/dbraw/zinc/18/74/66/776187466.db2.gz MCLJYOOZZDWTRS-SFGNSQDASA-N 1 2 298.368 -1.279 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cc(C)n[nH]2)[C@H](O)C1 ZINC001090105437 776188725 /nfs/dbraw/zinc/18/87/25/776188725.db2.gz VYCUSHAJDJNAIS-GXSJLCMTSA-N 1 2 295.343 -1.371 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cc(C)n[nH]2)[C@H](O)C1 ZINC001090105437 776188728 /nfs/dbraw/zinc/18/87/28/776188728.db2.gz VYCUSHAJDJNAIS-GXSJLCMTSA-N 1 2 295.343 -1.371 20 0 CAADLO Cc1cc(C(=O)N[C@H]2CC[N@H+](CC(N)=O)C[C@H]2O)[nH]n1 ZINC001090105828 776190183 /nfs/dbraw/zinc/19/01/83/776190183.db2.gz XUSUWOOTSMFQGF-WCBMZHEXSA-N 1 2 281.316 -1.632 20 0 CAADLO Cc1cc(C(=O)N[C@H]2CC[N@@H+](CC(N)=O)C[C@H]2O)[nH]n1 ZINC001090105828 776190187 /nfs/dbraw/zinc/19/01/87/776190187.db2.gz XUSUWOOTSMFQGF-WCBMZHEXSA-N 1 2 281.316 -1.632 20 0 CAADLO Cc1cc(C(=O)N[C@@H]2CC[N@H+](CC(N)=O)C[C@@H]2O)[nH]n1 ZINC001090105827 776190324 /nfs/dbraw/zinc/19/03/24/776190324.db2.gz XUSUWOOTSMFQGF-SCZZXKLOSA-N 1 2 281.316 -1.632 20 0 CAADLO Cc1cc(C(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C[C@@H]2O)[nH]n1 ZINC001090105827 776190328 /nfs/dbraw/zinc/19/03/28/776190328.db2.gz XUSUWOOTSMFQGF-SCZZXKLOSA-N 1 2 281.316 -1.632 20 0 CAADLO Cn1ncc(C[NH2+]CCCNC(=O)c2ncn[nH]2)n1 ZINC001168738572 776190351 /nfs/dbraw/zinc/19/03/51/776190351.db2.gz GOIVWERDTIWTCI-UHFFFAOYSA-N 1 2 264.293 -1.157 20 0 CAADLO Cn1ncc(C[NH2+]CCCNC(=O)c2nc[nH]n2)n1 ZINC001168738572 776190354 /nfs/dbraw/zinc/19/03/54/776190354.db2.gz GOIVWERDTIWTCI-UHFFFAOYSA-N 1 2 264.293 -1.157 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cnsn2)[C@H](O)C1 ZINC001090110120 776191423 /nfs/dbraw/zinc/19/14/23/776191423.db2.gz UJWQTMAPUDCYHJ-IONNQARKSA-N 1 2 299.356 -1.551 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cnsn2)[C@H](O)C1 ZINC001090110120 776191425 /nfs/dbraw/zinc/19/14/25/776191425.db2.gz UJWQTMAPUDCYHJ-IONNQARKSA-N 1 2 299.356 -1.551 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cn[nH]c2)[C@@H](O)C1 ZINC001090106825 776191782 /nfs/dbraw/zinc/19/17/82/776191782.db2.gz FIFPVLZCDDKKEO-IUCAKERBSA-N 1 2 267.289 -1.940 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)c2cn[nH]c2)[C@@H](O)C1 ZINC001090106825 776191785 /nfs/dbraw/zinc/19/17/85/776191785.db2.gz FIFPVLZCDDKKEO-IUCAKERBSA-N 1 2 267.289 -1.940 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cnsn2)[C@H](O)C1 ZINC001090110121 776191810 /nfs/dbraw/zinc/19/18/10/776191810.db2.gz UJWQTMAPUDCYHJ-VXNVDRBHSA-N 1 2 299.356 -1.551 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cnsn2)[C@H](O)C1 ZINC001090110121 776191814 /nfs/dbraw/zinc/19/18/14/776191814.db2.gz UJWQTMAPUDCYHJ-VXNVDRBHSA-N 1 2 299.356 -1.551 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cnsn2)[C@@H](O)C1 ZINC001090108657 776191984 /nfs/dbraw/zinc/19/19/84/776191984.db2.gz POXXBPVAEJUCSE-SVRRBLITSA-N 1 2 285.329 -1.812 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cnsn2)[C@@H](O)C1 ZINC001090108657 776191991 /nfs/dbraw/zinc/19/19/91/776191991.db2.gz POXXBPVAEJUCSE-SVRRBLITSA-N 1 2 285.329 -1.812 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cncs2)[C@@H](O)C1 ZINC001090112328 776192783 /nfs/dbraw/zinc/19/27/83/776192783.db2.gz IFXJMTQZKNOODT-YUMQZZPRSA-N 1 2 284.341 -1.207 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)c2cncs2)[C@@H](O)C1 ZINC001090112328 776192786 /nfs/dbraw/zinc/19/27/86/776192786.db2.gz IFXJMTQZKNOODT-YUMQZZPRSA-N 1 2 284.341 -1.207 20 0 CAADLO C[C@H](CC[NH2+]Cc1nnnn1C)NC(=O)Cc1nnc[nH]1 ZINC001273113428 776193004 /nfs/dbraw/zinc/19/30/04/776193004.db2.gz UIMODBGWQLLNMG-MRVPVSSYSA-N 1 2 293.335 -1.445 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cncs2)[C@H](O)C1 ZINC001090112326 776193766 /nfs/dbraw/zinc/19/37/66/776193766.db2.gz IFXJMTQZKNOODT-JGVFFNPUSA-N 1 2 284.341 -1.207 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)c2cncs2)[C@H](O)C1 ZINC001090112326 776193770 /nfs/dbraw/zinc/19/37/70/776193770.db2.gz IFXJMTQZKNOODT-JGVFFNPUSA-N 1 2 284.341 -1.207 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cncs2)[C@@H](O)C1 ZINC001090112327 776193851 /nfs/dbraw/zinc/19/38/51/776193851.db2.gz IFXJMTQZKNOODT-SFYZADRCSA-N 1 2 284.341 -1.207 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cncs2)[C@@H](O)C1 ZINC001090112327 776193855 /nfs/dbraw/zinc/19/38/55/776193855.db2.gz IFXJMTQZKNOODT-SFYZADRCSA-N 1 2 284.341 -1.207 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)C2=COCCC2)[C@H](O)C1 ZINC001090122153 776194703 /nfs/dbraw/zinc/19/47/03/776194703.db2.gz DTIQJULXQOGUPJ-NWDGAFQWSA-N 1 2 297.355 -1.022 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)C2=COCCC2)[C@H](O)C1 ZINC001090122153 776194709 /nfs/dbraw/zinc/19/47/09/776194709.db2.gz DTIQJULXQOGUPJ-NWDGAFQWSA-N 1 2 297.355 -1.022 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C2=COCCC2)[C@@H](O)C1 ZINC001090122152 776194728 /nfs/dbraw/zinc/19/47/28/776194728.db2.gz DTIQJULXQOGUPJ-NEPJUHHUSA-N 1 2 297.355 -1.022 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)C2=COCCC2)[C@@H](O)C1 ZINC001090122152 776194737 /nfs/dbraw/zinc/19/47/37/776194737.db2.gz DTIQJULXQOGUPJ-NEPJUHHUSA-N 1 2 297.355 -1.022 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cocn2)[C@@H](O)C1 ZINC001090122003 776195374 /nfs/dbraw/zinc/19/53/74/776195374.db2.gz BXUDZUKNHINICS-WPRPVWTQSA-N 1 2 282.300 -1.414 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cocn2)[C@@H](O)C1 ZINC001090122003 776195376 /nfs/dbraw/zinc/19/53/76/776195376.db2.gz BXUDZUKNHINICS-WPRPVWTQSA-N 1 2 282.300 -1.414 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ncoc2C)[C@@H](O)C1 ZINC001090120860 776195398 /nfs/dbraw/zinc/19/53/98/776195398.db2.gz VNRLORCXHCSGDT-ZJUUUORDSA-N 1 2 296.327 -1.106 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2ncoc2C)[C@@H](O)C1 ZINC001090120860 776195399 /nfs/dbraw/zinc/19/53/99/776195399.db2.gz VNRLORCXHCSGDT-ZJUUUORDSA-N 1 2 296.327 -1.106 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)C2=COCCC2)[C@H](O)C1 ZINC001090124608 776196003 /nfs/dbraw/zinc/19/60/03/776196003.db2.gz SODUUMVZINUFAK-WDEREUQCSA-N 1 2 283.328 -1.283 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)C2=COCCC2)[C@H](O)C1 ZINC001090124608 776196012 /nfs/dbraw/zinc/19/60/12/776196012.db2.gz SODUUMVZINUFAK-WDEREUQCSA-N 1 2 283.328 -1.283 20 0 CAADLO Cc1cc(C(=O)N[C@H]2CC[N@H+](CC(N)=O)C[C@H]2O)nn1C ZINC001090130756 776196349 /nfs/dbraw/zinc/19/63/49/776196349.db2.gz WHCPEEWDPRVANL-GXSJLCMTSA-N 1 2 295.343 -1.621 20 0 CAADLO Cc1cc(C(=O)N[C@H]2CC[N@@H+](CC(N)=O)C[C@H]2O)nn1C ZINC001090130756 776196352 /nfs/dbraw/zinc/19/63/52/776196352.db2.gz WHCPEEWDPRVANL-GXSJLCMTSA-N 1 2 295.343 -1.621 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cnc(C)[nH]2)[C@H](O)C1 ZINC001090123933 776196672 /nfs/dbraw/zinc/19/66/72/776196672.db2.gz PJKYPOBNSQESMA-MWLCHTKSSA-N 1 2 295.343 -1.371 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cnc(C)[nH]2)[C@H](O)C1 ZINC001090123933 776196675 /nfs/dbraw/zinc/19/66/75/776196675.db2.gz PJKYPOBNSQESMA-MWLCHTKSSA-N 1 2 295.343 -1.371 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cocn2)[C@H](O)C1 ZINC001090128478 776196684 /nfs/dbraw/zinc/19/66/84/776196684.db2.gz LXYYPTITHRMQAQ-VXNVDRBHSA-N 1 2 268.273 -1.675 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cocn2)[C@H](O)C1 ZINC001090128478 776196685 /nfs/dbraw/zinc/19/66/85/776196685.db2.gz LXYYPTITHRMQAQ-VXNVDRBHSA-N 1 2 268.273 -1.675 20 0 CAADLO Cn1nccc1C(=O)N[C@@H]1CC[N@H+](CC(N)=O)C[C@H]1O ZINC001090128843 776196713 /nfs/dbraw/zinc/19/67/13/776196713.db2.gz IIOIRTIJGKHKAK-PSASIEDQSA-N 1 2 281.316 -1.930 20 0 CAADLO Cn1nccc1C(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C[C@H]1O ZINC001090128843 776196714 /nfs/dbraw/zinc/19/67/14/776196714.db2.gz IIOIRTIJGKHKAK-PSASIEDQSA-N 1 2 281.316 -1.930 20 0 CAADLO Cc1cc(C(=O)N[C@@H]2CC[N@H+](CC(N)=O)C[C@@H]2O)nn1C ZINC001090130757 776196856 /nfs/dbraw/zinc/19/68/56/776196856.db2.gz WHCPEEWDPRVANL-KOLCDFICSA-N 1 2 295.343 -1.621 20 0 CAADLO Cc1cc(C(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C[C@@H]2O)nn1C ZINC001090130757 776196858 /nfs/dbraw/zinc/19/68/58/776196858.db2.gz WHCPEEWDPRVANL-KOLCDFICSA-N 1 2 295.343 -1.621 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cnc(C)[nH]2)[C@H](O)C1 ZINC001090123930 776196889 /nfs/dbraw/zinc/19/68/89/776196889.db2.gz PJKYPOBNSQESMA-GXSJLCMTSA-N 1 2 295.343 -1.371 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cnc(C)[nH]2)[C@H](O)C1 ZINC001090123930 776196893 /nfs/dbraw/zinc/19/68/93/776196893.db2.gz PJKYPOBNSQESMA-GXSJLCMTSA-N 1 2 295.343 -1.371 20 0 CAADLO CN(CC(=O)NCC[NH2+]Cc1cnon1)S(C)(=O)=O ZINC001128603364 776199830 /nfs/dbraw/zinc/19/98/30/776199830.db2.gz GLQJQCLEPUIXAB-UHFFFAOYSA-N 1 2 291.333 -1.833 20 0 CAADLO COCC(=O)N(C)CC(=O)NCC[NH2+]Cc1ncccn1 ZINC001128618946 776201166 /nfs/dbraw/zinc/20/11/66/776201166.db2.gz HABWFDQPUWHHOK-UHFFFAOYSA-N 1 2 295.343 -1.213 20 0 CAADLO COCC(=O)N(C)CC(=O)NCC[NH2+]Cc1cnon1 ZINC001128619519 776202699 /nfs/dbraw/zinc/20/26/99/776202699.db2.gz YAPJSGLOZIZOMY-UHFFFAOYSA-N 1 2 285.304 -1.620 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)c2ccc(F)nc2)[C@H](O)C1 ZINC001090138083 776206743 /nfs/dbraw/zinc/20/67/43/776206743.db2.gz RTRCMBNMTNKCHM-VHSXEESVSA-N 1 2 296.302 -1.129 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)c2ccc(F)nc2)[C@H](O)C1 ZINC001090138083 776206749 /nfs/dbraw/zinc/20/67/49/776206749.db2.gz RTRCMBNMTNKCHM-VHSXEESVSA-N 1 2 296.302 -1.129 20 0 CAADLO COCC(=O)NCCC(=O)NCC[NH2+]Cc1ncccn1 ZINC001128686230 776207308 /nfs/dbraw/zinc/20/73/08/776207308.db2.gz NRXXBQZGLFXHPG-UHFFFAOYSA-N 1 2 295.343 -1.165 20 0 CAADLO CC(C)C(=O)N[C@@H]1CC[N@H+](CC(=O)NC(N)=O)C[C@H]1O ZINC001099671028 776210099 /nfs/dbraw/zinc/21/00/99/776210099.db2.gz AUHUSZOMPABCCZ-RKDXNWHRSA-N 1 2 286.332 -1.611 20 0 CAADLO CC(C)C(=O)N[C@@H]1CC[N@@H+](CC(=O)NC(N)=O)C[C@H]1O ZINC001099671028 776210103 /nfs/dbraw/zinc/21/01/03/776210103.db2.gz AUHUSZOMPABCCZ-RKDXNWHRSA-N 1 2 286.332 -1.611 20 0 CAADLO C[C@@H](C(=O)NCC[NH2+]Cc1cnon1)N1C(=O)CCC1=O ZINC001128719072 776210221 /nfs/dbraw/zinc/21/02/21/776210221.db2.gz BBGJIFBRZJTUHO-QMMMGPOBSA-N 1 2 295.299 -1.187 20 0 CAADLO Cc1nc(C)c(C(=O)N[C@H]2CC[N@H+](CC(N)=O)C[C@@H]2O)o1 ZINC001090144666 776210294 /nfs/dbraw/zinc/21/02/94/776210294.db2.gz JTSUVPBZNHINQZ-UWVGGRQHSA-N 1 2 296.327 -1.058 20 0 CAADLO Cc1nc(C)c(C(=O)N[C@H]2CC[N@@H+](CC(N)=O)C[C@@H]2O)o1 ZINC001090144666 776210301 /nfs/dbraw/zinc/21/03/01/776210301.db2.gz JTSUVPBZNHINQZ-UWVGGRQHSA-N 1 2 296.327 -1.058 20 0 CAADLO CC(C)C(=O)N[C@H]1CC[N@H+](CC(=O)NC(N)=O)C[C@@H]1O ZINC001099671027 776210320 /nfs/dbraw/zinc/21/03/20/776210320.db2.gz AUHUSZOMPABCCZ-IUCAKERBSA-N 1 2 286.332 -1.611 20 0 CAADLO CC(C)C(=O)N[C@H]1CC[N@@H+](CC(=O)NC(N)=O)C[C@@H]1O ZINC001099671027 776210324 /nfs/dbraw/zinc/21/03/24/776210324.db2.gz AUHUSZOMPABCCZ-IUCAKERBSA-N 1 2 286.332 -1.611 20 0 CAADLO COCC(=O)N1CCOC[C@@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001061682824 776211098 /nfs/dbraw/zinc/21/10/98/776211098.db2.gz SUTGXEDUCXOOFY-NSHDSACASA-N 1 2 296.327 -1.127 20 0 CAADLO Cc1ncc(C(=O)N[C@@H]2CC[N@H+](CC(N)=O)C[C@@H]2O)[nH]1 ZINC001090150353 776212163 /nfs/dbraw/zinc/21/21/63/776212163.db2.gz OLDCBSPTTGBGGN-SCZZXKLOSA-N 1 2 281.316 -1.632 20 0 CAADLO Cc1ncc(C(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C[C@@H]2O)[nH]1 ZINC001090150353 776212167 /nfs/dbraw/zinc/21/21/67/776212167.db2.gz OLDCBSPTTGBGGN-SCZZXKLOSA-N 1 2 281.316 -1.632 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)CC2CCOCC2)[C@@H](O)C1 ZINC001090148629 776212198 /nfs/dbraw/zinc/21/21/98/776212198.db2.gz BQIYKILCSPEFOQ-NEPJUHHUSA-N 1 2 299.371 -1.160 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)CC2CCOCC2)[C@@H](O)C1 ZINC001090148629 776212205 /nfs/dbraw/zinc/21/22/05/776212205.db2.gz BQIYKILCSPEFOQ-NEPJUHHUSA-N 1 2 299.371 -1.160 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)C2CC=CC2)[C@H](O)C1 ZINC001090154589 776212485 /nfs/dbraw/zinc/21/24/85/776212485.db2.gz GUMKZEZHYXOBLB-WDEREUQCSA-N 1 2 267.329 -1.011 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)C2CC=CC2)[C@H](O)C1 ZINC001090154589 776212489 /nfs/dbraw/zinc/21/24/89/776212489.db2.gz GUMKZEZHYXOBLB-WDEREUQCSA-N 1 2 267.329 -1.011 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cc2ccon2)[C@H](O)C1 ZINC001090148391 776212891 /nfs/dbraw/zinc/21/28/91/776212891.db2.gz IAHKVUNGQKVRNV-NXEZZACHSA-N 1 2 282.300 -1.746 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)Cc2ccon2)[C@H](O)C1 ZINC001090148391 776212895 /nfs/dbraw/zinc/21/28/95/776212895.db2.gz IAHKVUNGQKVRNV-NXEZZACHSA-N 1 2 282.300 -1.746 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cc2ccon2)[C@@H](O)C1 ZINC001090148396 776212906 /nfs/dbraw/zinc/21/29/06/776212906.db2.gz IAHKVUNGQKVRNV-ZJUUUORDSA-N 1 2 282.300 -1.746 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)Cc2ccon2)[C@@H](O)C1 ZINC001090148396 776212908 /nfs/dbraw/zinc/21/29/08/776212908.db2.gz IAHKVUNGQKVRNV-ZJUUUORDSA-N 1 2 282.300 -1.746 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cc2cc[nH]n2)[C@H](O)C1 ZINC001090160329 776214000 /nfs/dbraw/zinc/21/40/00/776214000.db2.gz ZCPQJSAZRLUEDU-NXEZZACHSA-N 1 2 281.316 -2.011 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)Cc2cc[nH]n2)[C@H](O)C1 ZINC001090160329 776214003 /nfs/dbraw/zinc/21/40/03/776214003.db2.gz ZCPQJSAZRLUEDU-NXEZZACHSA-N 1 2 281.316 -2.011 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2ocnc2C)[C@@H](O)C1 ZINC001090171226 776214260 /nfs/dbraw/zinc/21/42/60/776214260.db2.gz OHHWQWYSNFJKLN-UWVGGRQHSA-N 1 2 296.327 -1.106 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)c2ocnc2C)[C@@H](O)C1 ZINC001090171226 776214264 /nfs/dbraw/zinc/21/42/64/776214264.db2.gz OHHWQWYSNFJKLN-UWVGGRQHSA-N 1 2 296.327 -1.106 20 0 CAADLO CNC(=O)NCC(=O)NCC[NH2+]Cc1nc(N(C)C)no1 ZINC001128789532 776214521 /nfs/dbraw/zinc/21/45/21/776214521.db2.gz JGDXPFPZAIWZCH-UHFFFAOYSA-N 1 2 299.335 -1.730 20 0 CAADLO Cc1c(C(=O)N[C@H]2CC[N@H+](CC(N)=O)C[C@H]2O)nnn1C ZINC001090159714 776214817 /nfs/dbraw/zinc/21/48/17/776214817.db2.gz VJBRCROQVZMDMF-DTWKUNHWSA-N 1 2 296.331 -2.226 20 0 CAADLO Cc1c(C(=O)N[C@H]2CC[N@@H+](CC(N)=O)C[C@H]2O)nnn1C ZINC001090159714 776214823 /nfs/dbraw/zinc/21/48/23/776214823.db2.gz VJBRCROQVZMDMF-DTWKUNHWSA-N 1 2 296.331 -2.226 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cccc(=O)[nH]2)[C@H](O)C1 ZINC001090169449 776214897 /nfs/dbraw/zinc/21/48/97/776214897.db2.gz HEVQKELQFHYUAC-PSASIEDQSA-N 1 2 294.311 -1.563 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cccc(=O)[nH]2)[C@H](O)C1 ZINC001090169449 776214898 /nfs/dbraw/zinc/21/48/98/776214898.db2.gz HEVQKELQFHYUAC-PSASIEDQSA-N 1 2 294.311 -1.563 20 0 CAADLO Cc1[nH]ccc1C(=O)N[C@@H]1CC[N@H+](CC(N)=O)C[C@@H]1O ZINC001090175923 776216233 /nfs/dbraw/zinc/21/62/33/776216233.db2.gz VVQKUGHZLDSTIX-MNOVXSKESA-N 1 2 280.328 -1.027 20 0 CAADLO Cc1[nH]ccc1C(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C[C@@H]1O ZINC001090175923 776216239 /nfs/dbraw/zinc/21/62/39/776216239.db2.gz VVQKUGHZLDSTIX-MNOVXSKESA-N 1 2 280.328 -1.027 20 0 CAADLO Cc1ncoc1C(=O)N[C@@H]1CC[N@H+](CC(N)=O)C[C@@H]1O ZINC001090175427 776216491 /nfs/dbraw/zinc/21/64/91/776216491.db2.gz SWUBGDDFEYHIKR-BDAKNGLRSA-N 1 2 282.300 -1.367 20 0 CAADLO Cc1ncoc1C(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C[C@@H]1O ZINC001090175427 776216499 /nfs/dbraw/zinc/21/64/99/776216499.db2.gz SWUBGDDFEYHIKR-BDAKNGLRSA-N 1 2 282.300 -1.367 20 0 CAADLO Cc1cc(CC(=O)N[C@H]2CC[N@H+](CC(N)=O)C[C@H]2O)n[nH]1 ZINC001090187084 776218481 /nfs/dbraw/zinc/21/84/81/776218481.db2.gz VLMIYTSYPKXRDW-WDEREUQCSA-N 1 2 295.343 -1.703 20 0 CAADLO Cc1cc(CC(=O)N[C@H]2CC[N@@H+](CC(N)=O)C[C@H]2O)n[nH]1 ZINC001090187084 776218488 /nfs/dbraw/zinc/21/84/88/776218488.db2.gz VLMIYTSYPKXRDW-WDEREUQCSA-N 1 2 295.343 -1.703 20 0 CAADLO Cc1cc(CC(=O)N[C@H]2CC[N@H+](CC(N)=O)C[C@H]2O)[nH]n1 ZINC001090187084 776218490 /nfs/dbraw/zinc/21/84/90/776218490.db2.gz VLMIYTSYPKXRDW-WDEREUQCSA-N 1 2 295.343 -1.703 20 0 CAADLO Cc1cc(CC(=O)N[C@H]2CC[N@@H+](CC(N)=O)C[C@H]2O)[nH]n1 ZINC001090187084 776218498 /nfs/dbraw/zinc/21/84/98/776218498.db2.gz VLMIYTSYPKXRDW-WDEREUQCSA-N 1 2 295.343 -1.703 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cn(C)cn2)[C@@H](O)C1 ZINC001090189204 776218638 /nfs/dbraw/zinc/21/86/38/776218638.db2.gz IUWIODSIWSRGMO-ONGXEEELSA-N 1 2 295.343 -1.669 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cn(C)cn2)[C@@H](O)C1 ZINC001090189204 776218645 /nfs/dbraw/zinc/21/86/45/776218645.db2.gz IUWIODSIWSRGMO-ONGXEEELSA-N 1 2 295.343 -1.669 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cc[nH]c(=O)c2)[C@@H](O)C1 ZINC001090182559 776218904 /nfs/dbraw/zinc/21/89/04/776218904.db2.gz MEENOHUNCBBSPH-UWVGGRQHSA-N 1 2 294.311 -1.563 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)c2cc[nH]c(=O)c2)[C@@H](O)C1 ZINC001090182559 776218912 /nfs/dbraw/zinc/21/89/12/776218912.db2.gz MEENOHUNCBBSPH-UWVGGRQHSA-N 1 2 294.311 -1.563 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cncc(F)c2)[C@@H](O)C1 ZINC001090191284 776219455 /nfs/dbraw/zinc/21/94/55/776219455.db2.gz HXJVZBWZDUYSRP-MNOVXSKESA-N 1 2 296.302 -1.129 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cncc(F)c2)[C@@H](O)C1 ZINC001090191284 776219461 /nfs/dbraw/zinc/21/94/61/776219461.db2.gz HXJVZBWZDUYSRP-MNOVXSKESA-N 1 2 296.302 -1.129 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2ccn(C)c2)[C@@H](O)C1 ZINC001090190667 776219532 /nfs/dbraw/zinc/21/95/32/776219532.db2.gz ZERGHEMBQMPQKP-RYUDHWBXSA-N 1 2 294.355 -1.064 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)c2ccn(C)c2)[C@@H](O)C1 ZINC001090190667 776219534 /nfs/dbraw/zinc/21/95/34/776219534.db2.gz ZERGHEMBQMPQKP-RYUDHWBXSA-N 1 2 294.355 -1.064 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ccn(C)c2)[C@@H](O)C1 ZINC001090190665 776220055 /nfs/dbraw/zinc/22/00/55/776220055.db2.gz ZERGHEMBQMPQKP-NEPJUHHUSA-N 1 2 294.355 -1.064 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2ccn(C)c2)[C@@H](O)C1 ZINC001090190665 776220063 /nfs/dbraw/zinc/22/00/63/776220063.db2.gz ZERGHEMBQMPQKP-NEPJUHHUSA-N 1 2 294.355 -1.064 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)CN2CN=NC2=O)[C@H](O)C1 ZINC001090198112 776220511 /nfs/dbraw/zinc/22/05/11/776220511.db2.gz UTCQPWBLMULLFR-JGVFFNPUSA-N 1 2 298.303 -2.980 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)CN2CN=NC2=O)[C@H](O)C1 ZINC001090198112 776220513 /nfs/dbraw/zinc/22/05/13/776220513.db2.gz UTCQPWBLMULLFR-JGVFFNPUSA-N 1 2 298.303 -2.980 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cc2cccnc2)[C@H](O)C1 ZINC001090196960 776220853 /nfs/dbraw/zinc/22/08/53/776220853.db2.gz ICSUNWLLKGIYFZ-VXGBXAGGSA-N 1 2 292.339 -1.339 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)Cc2cccnc2)[C@H](O)C1 ZINC001090196960 776220862 /nfs/dbraw/zinc/22/08/62/776220862.db2.gz ICSUNWLLKGIYFZ-VXGBXAGGSA-N 1 2 292.339 -1.339 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)Cc2cccnc2)[C@H](O)C1 ZINC001090196958 776220941 /nfs/dbraw/zinc/22/09/41/776220941.db2.gz ICSUNWLLKGIYFZ-NWDGAFQWSA-N 1 2 292.339 -1.339 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)Cc2cccnc2)[C@H](O)C1 ZINC001090196958 776220949 /nfs/dbraw/zinc/22/09/49/776220949.db2.gz ICSUNWLLKGIYFZ-NWDGAFQWSA-N 1 2 292.339 -1.339 20 0 CAADLO Cc1cc(C(=O)N[C@@H]2CC[N@H+](CC(N)=O)C[C@H]2O)ncn1 ZINC001090201158 776223939 /nfs/dbraw/zinc/22/39/39/776223939.db2.gz QKIKDFASLSPHHG-MWLCHTKSSA-N 1 2 293.327 -1.565 20 0 CAADLO Cc1cc(C(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C[C@H]2O)ncn1 ZINC001090201158 776223945 /nfs/dbraw/zinc/22/39/45/776223945.db2.gz QKIKDFASLSPHHG-MWLCHTKSSA-N 1 2 293.327 -1.565 20 0 CAADLO COc1cc(C(=O)N[C@H]2CC[N@H+](CC(N)=O)C[C@@H]2O)on1 ZINC001090206846 776224731 /nfs/dbraw/zinc/22/47/31/776224731.db2.gz RAPBOZCDTVCDDY-YUMQZZPRSA-N 1 2 298.299 -1.667 20 0 CAADLO COc1cc(C(=O)N[C@H]2CC[N@@H+](CC(N)=O)C[C@@H]2O)on1 ZINC001090206846 776224737 /nfs/dbraw/zinc/22/47/37/776224737.db2.gz RAPBOZCDTVCDDY-YUMQZZPRSA-N 1 2 298.299 -1.667 20 0 CAADLO COc1cc(C(=O)N[C@H]2CC[N@H+](CC(N)=O)C[C@H]2O)on1 ZINC001090206844 776225218 /nfs/dbraw/zinc/22/52/18/776225218.db2.gz RAPBOZCDTVCDDY-JGVFFNPUSA-N 1 2 298.299 -1.667 20 0 CAADLO COc1cc(C(=O)N[C@H]2CC[N@@H+](CC(N)=O)C[C@H]2O)on1 ZINC001090206844 776225223 /nfs/dbraw/zinc/22/52/23/776225223.db2.gz RAPBOZCDTVCDDY-JGVFFNPUSA-N 1 2 298.299 -1.667 20 0 CAADLO Cc1nc(C(=O)N[C@H]2CC[N@H+](CC(N)=O)C[C@@H]2O)co1 ZINC001090207713 776225278 /nfs/dbraw/zinc/22/52/78/776225278.db2.gz XSRSSCFKKJYTTD-WPRPVWTQSA-N 1 2 282.300 -1.367 20 0 CAADLO Cc1nc(C(=O)N[C@H]2CC[N@@H+](CC(N)=O)C[C@@H]2O)co1 ZINC001090207713 776225281 /nfs/dbraw/zinc/22/52/81/776225281.db2.gz XSRSSCFKKJYTTD-WPRPVWTQSA-N 1 2 282.300 -1.367 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cncnc2)[C@@H](O)C1 ZINC001090208837 776225466 /nfs/dbraw/zinc/22/54/66/776225466.db2.gz FQJZOJUELVAEDN-ZJUUUORDSA-N 1 2 279.300 -1.873 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cncnc2)[C@@H](O)C1 ZINC001090208837 776225468 /nfs/dbraw/zinc/22/54/68/776225468.db2.gz FQJZOJUELVAEDN-ZJUUUORDSA-N 1 2 279.300 -1.873 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cncnc2)[C@@H](O)C1 ZINC001090208834 776225523 /nfs/dbraw/zinc/22/55/23/776225523.db2.gz FQJZOJUELVAEDN-UWVGGRQHSA-N 1 2 279.300 -1.873 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)c2cncnc2)[C@@H](O)C1 ZINC001090208834 776225526 /nfs/dbraw/zinc/22/55/26/776225526.db2.gz FQJZOJUELVAEDN-UWVGGRQHSA-N 1 2 279.300 -1.873 20 0 CAADLO CCc1nc(C(=O)N[C@@H]2CC[N@H+](CC(N)=O)C[C@@H]2O)co1 ZINC001090208366 776225731 /nfs/dbraw/zinc/22/57/31/776225731.db2.gz CBMQHOZSDNCPMA-SCZZXKLOSA-N 1 2 296.327 -1.113 20 0 CAADLO CCc1nc(C(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C[C@@H]2O)co1 ZINC001090208366 776225736 /nfs/dbraw/zinc/22/57/36/776225736.db2.gz CBMQHOZSDNCPMA-SCZZXKLOSA-N 1 2 296.327 -1.113 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2coc(C)n2)[C@@H](O)C1 ZINC001090207991 776225806 /nfs/dbraw/zinc/22/58/06/776225806.db2.gz ZMBVZEYMVBVTCT-KOLCDFICSA-N 1 2 296.327 -1.106 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2coc(C)n2)[C@@H](O)C1 ZINC001090207991 776225812 /nfs/dbraw/zinc/22/58/12/776225812.db2.gz ZMBVZEYMVBVTCT-KOLCDFICSA-N 1 2 296.327 -1.106 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)Cc2ccoc2)[C@@H](O)C1 ZINC001090213604 776226502 /nfs/dbraw/zinc/22/65/02/776226502.db2.gz NBQYHOVZNCYFGB-QWRGUYRKSA-N 1 2 281.312 -1.141 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)Cc2ccoc2)[C@@H](O)C1 ZINC001090213604 776226507 /nfs/dbraw/zinc/22/65/07/776226507.db2.gz NBQYHOVZNCYFGB-QWRGUYRKSA-N 1 2 281.312 -1.141 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)C2=CCOCC2)[C@@H](O)C1 ZINC001090212435 776226539 /nfs/dbraw/zinc/22/65/39/776226539.db2.gz CUOZACCJJLQLKX-QWRGUYRKSA-N 1 2 283.328 -1.630 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)C2=CCOCC2)[C@@H](O)C1 ZINC001090212435 776226543 /nfs/dbraw/zinc/22/65/43/776226543.db2.gz CUOZACCJJLQLKX-QWRGUYRKSA-N 1 2 283.328 -1.630 20 0 CAADLO Cc1ccn(C)c1C(=O)N[C@@H]1CC[N@H+](CC(N)=O)C[C@@H]1O ZINC001090218336 776226719 /nfs/dbraw/zinc/22/67/19/776226719.db2.gz HENVYPVMWZIPJL-MNOVXSKESA-N 1 2 294.355 -1.016 20 0 CAADLO Cc1ccn(C)c1C(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C[C@@H]1O ZINC001090218336 776226722 /nfs/dbraw/zinc/22/67/22/776226722.db2.gz HENVYPVMWZIPJL-MNOVXSKESA-N 1 2 294.355 -1.016 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cncnc2)[C@@H](O)C1 ZINC001090216529 776226964 /nfs/dbraw/zinc/22/69/64/776226964.db2.gz NIWUHTHESPBBKD-MNOVXSKESA-N 1 2 293.327 -1.612 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cncnc2)[C@@H](O)C1 ZINC001090216529 776226967 /nfs/dbraw/zinc/22/69/67/776226967.db2.gz NIWUHTHESPBBKD-MNOVXSKESA-N 1 2 293.327 -1.612 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)C2=CCOCC2)[C@@H](O)C1 ZINC001090212434 776227050 /nfs/dbraw/zinc/22/70/50/776227050.db2.gz CUOZACCJJLQLKX-MNOVXSKESA-N 1 2 283.328 -1.630 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)C2=CCOCC2)[C@@H](O)C1 ZINC001090212434 776227056 /nfs/dbraw/zinc/22/70/56/776227056.db2.gz CUOZACCJJLQLKX-MNOVXSKESA-N 1 2 283.328 -1.630 20 0 CAADLO Cc1ccn(C)c1C(=O)N[C@@H]1CC[N@H+](CC(N)=O)C[C@H]1O ZINC001090218334 776227124 /nfs/dbraw/zinc/22/71/24/776227124.db2.gz HENVYPVMWZIPJL-GHMZBOCLSA-N 1 2 294.355 -1.016 20 0 CAADLO Cc1ccn(C)c1C(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C[C@H]1O ZINC001090218334 776227131 /nfs/dbraw/zinc/22/71/31/776227131.db2.gz HENVYPVMWZIPJL-GHMZBOCLSA-N 1 2 294.355 -1.016 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cncnc2)[C@H](O)C1 ZINC001090216527 776227343 /nfs/dbraw/zinc/22/73/43/776227343.db2.gz NIWUHTHESPBBKD-GHMZBOCLSA-N 1 2 293.327 -1.612 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cncnc2)[C@H](O)C1 ZINC001090216527 776227349 /nfs/dbraw/zinc/22/73/49/776227349.db2.gz NIWUHTHESPBBKD-GHMZBOCLSA-N 1 2 293.327 -1.612 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)C2=CCOCC2)[C@@H](O)C1 ZINC001090213664 776227412 /nfs/dbraw/zinc/22/74/12/776227412.db2.gz NYTILVMOUHETQM-RYUDHWBXSA-N 1 2 297.355 -1.370 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)C2=CCOCC2)[C@@H](O)C1 ZINC001090213664 776227422 /nfs/dbraw/zinc/22/74/22/776227422.db2.gz NYTILVMOUHETQM-RYUDHWBXSA-N 1 2 297.355 -1.370 20 0 CAADLO CCn1nccc1C(=O)N[C@H]1CC[N@H+](CC(N)=O)C[C@@H]1O ZINC001090219738 776227708 /nfs/dbraw/zinc/22/77/08/776227708.db2.gz WBCAFMMGOBUVHY-ONGXEEELSA-N 1 2 295.343 -1.447 20 0 CAADLO CCn1nccc1C(=O)N[C@H]1CC[N@@H+](CC(N)=O)C[C@@H]1O ZINC001090219738 776227714 /nfs/dbraw/zinc/22/77/14/776227714.db2.gz WBCAFMMGOBUVHY-ONGXEEELSA-N 1 2 295.343 -1.447 20 0 CAADLO CCn1nccc1C(=O)N[C@@H]1CC[N@H+](CC(N)=O)C[C@H]1O ZINC001090219737 776227834 /nfs/dbraw/zinc/22/78/34/776227834.db2.gz WBCAFMMGOBUVHY-MWLCHTKSSA-N 1 2 295.343 -1.447 20 0 CAADLO CCn1nccc1C(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C[C@H]1O ZINC001090219737 776227837 /nfs/dbraw/zinc/22/78/37/776227837.db2.gz WBCAFMMGOBUVHY-MWLCHTKSSA-N 1 2 295.343 -1.447 20 0 CAADLO Cc1ccn(C)c1C(=O)N[C@H]1CC[N@H+](CC(N)=O)C[C@H]1O ZINC001090218338 776227846 /nfs/dbraw/zinc/22/78/46/776227846.db2.gz HENVYPVMWZIPJL-WDEREUQCSA-N 1 2 294.355 -1.016 20 0 CAADLO Cc1ccn(C)c1C(=O)N[C@H]1CC[N@@H+](CC(N)=O)C[C@H]1O ZINC001090218338 776227851 /nfs/dbraw/zinc/22/78/51/776227851.db2.gz HENVYPVMWZIPJL-WDEREUQCSA-N 1 2 294.355 -1.016 20 0 CAADLO Cc1cc(C(=O)N[C@H]2CC[N@H+](CC(N)=O)C[C@@H]2O)cnn1 ZINC001090221553 776228385 /nfs/dbraw/zinc/22/83/85/776228385.db2.gz MRVLADGLPSBXNH-QWRGUYRKSA-N 1 2 293.327 -1.565 20 0 CAADLO Cc1cc(C(=O)N[C@H]2CC[N@@H+](CC(N)=O)C[C@@H]2O)cnn1 ZINC001090221553 776228390 /nfs/dbraw/zinc/22/83/90/776228390.db2.gz MRVLADGLPSBXNH-QWRGUYRKSA-N 1 2 293.327 -1.565 20 0 CAADLO Cc1cc(C(=O)N[C@H]2CC[N@H+](CC(N)=O)C[C@H]2O)cnn1 ZINC001090221555 776229138 /nfs/dbraw/zinc/22/91/38/776229138.db2.gz MRVLADGLPSBXNH-WDEREUQCSA-N 1 2 293.327 -1.565 20 0 CAADLO Cc1cc(C(=O)N[C@H]2CC[N@@H+](CC(N)=O)C[C@H]2O)cnn1 ZINC001090221555 776229142 /nfs/dbraw/zinc/22/91/42/776229142.db2.gz MRVLADGLPSBXNH-WDEREUQCSA-N 1 2 293.327 -1.565 20 0 CAADLO Cn1nccc1CC(=O)N[C@@H]1CC[N@H+](CC(N)=O)C[C@@H]1O ZINC001090227164 776230301 /nfs/dbraw/zinc/23/03/01/776230301.db2.gz IRYKDTZMSLEGCF-MNOVXSKESA-N 1 2 295.343 -2.001 20 0 CAADLO Cn1nccc1CC(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C[C@@H]1O ZINC001090227164 776230309 /nfs/dbraw/zinc/23/03/09/776230309.db2.gz IRYKDTZMSLEGCF-MNOVXSKESA-N 1 2 295.343 -2.001 20 0 CAADLO Cn1oc(C(=O)N[C@@H]2CC[N@H+](CC(N)=O)C[C@@H]2O)cc1=O ZINC001090226382 776230697 /nfs/dbraw/zinc/23/06/97/776230697.db2.gz UZMFLGDWSIYTJB-SFYZADRCSA-N 1 2 298.299 -2.371 20 0 CAADLO Cn1oc(C(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C[C@@H]2O)cc1=O ZINC001090226382 776230704 /nfs/dbraw/zinc/23/07/04/776230704.db2.gz UZMFLGDWSIYTJB-SFYZADRCSA-N 1 2 298.299 -2.371 20 0 CAADLO Cn1oc(C(=O)N[C@H]2CC[N@H+](CC(N)=O)C[C@H]2O)cc1=O ZINC001090226381 776231349 /nfs/dbraw/zinc/23/13/49/776231349.db2.gz UZMFLGDWSIYTJB-JGVFFNPUSA-N 1 2 298.299 -2.371 20 0 CAADLO Cn1oc(C(=O)N[C@H]2CC[N@@H+](CC(N)=O)C[C@H]2O)cc1=O ZINC001090226381 776231357 /nfs/dbraw/zinc/23/13/57/776231357.db2.gz UZMFLGDWSIYTJB-JGVFFNPUSA-N 1 2 298.299 -2.371 20 0 CAADLO Cn1nccc1CC(=O)N[C@H]1CC[N@H+](CC(N)=O)C[C@H]1O ZINC001090227166 776231435 /nfs/dbraw/zinc/23/14/35/776231435.db2.gz IRYKDTZMSLEGCF-WDEREUQCSA-N 1 2 295.343 -2.001 20 0 CAADLO Cn1nccc1CC(=O)N[C@H]1CC[N@@H+](CC(N)=O)C[C@H]1O ZINC001090227166 776231445 /nfs/dbraw/zinc/23/14/45/776231445.db2.gz IRYKDTZMSLEGCF-WDEREUQCSA-N 1 2 295.343 -2.001 20 0 CAADLO COCC[N@@H+]1CCO[C@@](C)(CNC(=O)c2nnn(C)n2)C1 ZINC001108136650 776231829 /nfs/dbraw/zinc/23/18/29/776231829.db2.gz VAAUIDBQBJFOLZ-LBPRGKRZSA-N 1 2 298.347 -1.323 20 0 CAADLO COCC[N@H+]1CCO[C@@](C)(CNC(=O)c2nnn(C)n2)C1 ZINC001108136650 776231835 /nfs/dbraw/zinc/23/18/35/776231835.db2.gz VAAUIDBQBJFOLZ-LBPRGKRZSA-N 1 2 298.347 -1.323 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)CCn2cncn2)[C@H](O)C1 ZINC001099677952 776232701 /nfs/dbraw/zinc/23/27/01/776232701.db2.gz DCERUQRYXNJTAZ-NXEZZACHSA-N 1 2 296.331 -2.295 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)CCn2cncn2)[C@H](O)C1 ZINC001099677952 776232704 /nfs/dbraw/zinc/23/27/04/776232704.db2.gz DCERUQRYXNJTAZ-NXEZZACHSA-N 1 2 296.331 -2.295 20 0 CAADLO Cn1nncc1C(=O)N[C@H]1CC[N@H+](CC(N)=O)C[C@H]1O ZINC001090241392 776233805 /nfs/dbraw/zinc/23/38/05/776233805.db2.gz SBGXWTOASGVQEF-IONNQARKSA-N 1 2 282.304 -2.535 20 0 CAADLO Cn1nncc1C(=O)N[C@H]1CC[N@@H+](CC(N)=O)C[C@H]1O ZINC001090241392 776233813 /nfs/dbraw/zinc/23/38/13/776233813.db2.gz SBGXWTOASGVQEF-IONNQARKSA-N 1 2 282.304 -2.535 20 0 CAADLO Cn1nncc1C(=O)N[C@H]1CC[N@H+](CC(N)=O)C[C@@H]1O ZINC001090241390 776233855 /nfs/dbraw/zinc/23/38/55/776233855.db2.gz SBGXWTOASGVQEF-CBAPKCEASA-N 1 2 282.304 -2.535 20 0 CAADLO Cn1nncc1C(=O)N[C@H]1CC[N@@H+](CC(N)=O)C[C@@H]1O ZINC001090241390 776233864 /nfs/dbraw/zinc/23/38/64/776233864.db2.gz SBGXWTOASGVQEF-CBAPKCEASA-N 1 2 282.304 -2.535 20 0 CAADLO Cc1nnc(CC(=O)N[C@H]2CC[N@H+](CC(N)=O)C[C@H]2O)o1 ZINC001090240320 776233912 /nfs/dbraw/zinc/23/39/12/776233912.db2.gz INDRPAUVJXPOLP-DTWKUNHWSA-N 1 2 297.315 -2.043 20 0 CAADLO Cc1nnc(CC(=O)N[C@H]2CC[N@@H+](CC(N)=O)C[C@H]2O)o1 ZINC001090240320 776233917 /nfs/dbraw/zinc/23/39/17/776233917.db2.gz INDRPAUVJXPOLP-DTWKUNHWSA-N 1 2 297.315 -2.043 20 0 CAADLO Cn1nncc1C(=O)N[C@@H]1CC[N@H+](CCF)C[C@H]1O ZINC001090237361 776234566 /nfs/dbraw/zinc/23/45/66/776234566.db2.gz NZLBIGXQOUJMEL-PSASIEDQSA-N 1 2 271.296 -1.050 20 0 CAADLO Cn1nncc1C(=O)N[C@@H]1CC[N@@H+](CCF)C[C@H]1O ZINC001090237361 776234571 /nfs/dbraw/zinc/23/45/71/776234571.db2.gz NZLBIGXQOUJMEL-PSASIEDQSA-N 1 2 271.296 -1.050 20 0 CAADLO CCn1ccnc1C(=O)N[C@H]1CC[N@H+](CC(N)=O)C[C@@H]1O ZINC001090233801 776234495 /nfs/dbraw/zinc/23/44/95/776234495.db2.gz KIFBEJJPLVTZJE-UWVGGRQHSA-N 1 2 295.343 -1.447 20 0 CAADLO CCn1ccnc1C(=O)N[C@H]1CC[N@@H+](CC(N)=O)C[C@@H]1O ZINC001090233801 776234498 /nfs/dbraw/zinc/23/44/98/776234498.db2.gz KIFBEJJPLVTZJE-UWVGGRQHSA-N 1 2 295.343 -1.447 20 0 CAADLO CCn1ccnc1C(=O)N[C@H]1CC[N@H+](CC(N)=O)C[C@H]1O ZINC001090233802 776235005 /nfs/dbraw/zinc/23/50/05/776235005.db2.gz KIFBEJJPLVTZJE-VHSXEESVSA-N 1 2 295.343 -1.447 20 0 CAADLO CCn1ccnc1C(=O)N[C@H]1CC[N@@H+](CC(N)=O)C[C@H]1O ZINC001090233802 776235017 /nfs/dbraw/zinc/23/50/17/776235017.db2.gz KIFBEJJPLVTZJE-VHSXEESVSA-N 1 2 295.343 -1.447 20 0 CAADLO Cn1cnc(C(=O)N[C@H]2CC[N@H+](CC(N)=O)C[C@@H]2O)n1 ZINC001090246842 776235792 /nfs/dbraw/zinc/23/57/92/776235792.db2.gz OMWBHIZLZUZGOA-YUMQZZPRSA-N 1 2 282.304 -2.535 20 0 CAADLO Cn1cnc(C(=O)N[C@H]2CC[N@@H+](CC(N)=O)C[C@@H]2O)n1 ZINC001090246842 776235795 /nfs/dbraw/zinc/23/57/95/776235795.db2.gz OMWBHIZLZUZGOA-YUMQZZPRSA-N 1 2 282.304 -2.535 20 0 CAADLO Cn1cnc(C(=O)N[C@@H]2CC[N@H+](CC(N)=O)C[C@H]2O)n1 ZINC001090246839 776235869 /nfs/dbraw/zinc/23/58/69/776235869.db2.gz OMWBHIZLZUZGOA-HTQZYQBOSA-N 1 2 282.304 -2.535 20 0 CAADLO Cn1cnc(C(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C[C@H]2O)n1 ZINC001090246839 776235872 /nfs/dbraw/zinc/23/58/72/776235872.db2.gz OMWBHIZLZUZGOA-HTQZYQBOSA-N 1 2 282.304 -2.535 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ncn(C)n2)[C@H](O)C1 ZINC001090246169 776235955 /nfs/dbraw/zinc/23/59/55/776235955.db2.gz JCXJGUARIAFYEW-RKDXNWHRSA-N 1 2 296.331 -2.274 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2ncn(C)n2)[C@H](O)C1 ZINC001090246169 776235960 /nfs/dbraw/zinc/23/59/60/776235960.db2.gz JCXJGUARIAFYEW-RKDXNWHRSA-N 1 2 296.331 -2.274 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2ncn(C)n2)[C@@H](O)C1 ZINC001090246168 776236253 /nfs/dbraw/zinc/23/62/53/776236253.db2.gz JCXJGUARIAFYEW-IUCAKERBSA-N 1 2 296.331 -2.274 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)c2ncn(C)n2)[C@@H](O)C1 ZINC001090246168 776236255 /nfs/dbraw/zinc/23/62/55/776236255.db2.gz JCXJGUARIAFYEW-IUCAKERBSA-N 1 2 296.331 -2.274 20 0 CAADLO CCn1nncc1C(=O)N[C@H]1CC[N@H+](CC(N)=O)C[C@H]1O ZINC001090248182 776236572 /nfs/dbraw/zinc/23/65/72/776236572.db2.gz FBNAJLKHWZCOEE-WCBMZHEXSA-N 1 2 296.331 -2.052 20 0 CAADLO CCn1nncc1C(=O)N[C@H]1CC[N@@H+](CC(N)=O)C[C@H]1O ZINC001090248182 776236576 /nfs/dbraw/zinc/23/65/76/776236576.db2.gz FBNAJLKHWZCOEE-WCBMZHEXSA-N 1 2 296.331 -2.052 20 0 CAADLO CCn1nncc1C(=O)N[C@@H]1CC[N@H+](CC(N)=O)C[C@H]1O ZINC001090248180 776236617 /nfs/dbraw/zinc/23/66/17/776236617.db2.gz FBNAJLKHWZCOEE-PSASIEDQSA-N 1 2 296.331 -2.052 20 0 CAADLO CCn1nncc1C(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C[C@H]1O ZINC001090248180 776236620 /nfs/dbraw/zinc/23/66/20/776236620.db2.gz FBNAJLKHWZCOEE-PSASIEDQSA-N 1 2 296.331 -2.052 20 0 CAADLO CCn1nncc1C(=O)N[C@H]1CC[N@H+](CC(N)=O)C[C@@H]1O ZINC001090248183 776236674 /nfs/dbraw/zinc/23/66/74/776236674.db2.gz FBNAJLKHWZCOEE-WPRPVWTQSA-N 1 2 296.331 -2.052 20 0 CAADLO CCn1nncc1C(=O)N[C@H]1CC[N@@H+](CC(N)=O)C[C@@H]1O ZINC001090248183 776236677 /nfs/dbraw/zinc/23/66/77/776236677.db2.gz FBNAJLKHWZCOEE-WPRPVWTQSA-N 1 2 296.331 -2.052 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2ncn(C)n2)[C@H](O)C1 ZINC001090246167 776236891 /nfs/dbraw/zinc/23/68/91/776236891.db2.gz JCXJGUARIAFYEW-DTWKUNHWSA-N 1 2 296.331 -2.274 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)c2ncn(C)n2)[C@H](O)C1 ZINC001090246167 776236897 /nfs/dbraw/zinc/23/68/97/776236897.db2.gz JCXJGUARIAFYEW-DTWKUNHWSA-N 1 2 296.331 -2.274 20 0 CAADLO CCn1nncc1C(=O)N[C@@H]1CC[N@H+](CC(N)=O)C[C@@H]1O ZINC001090248181 776236926 /nfs/dbraw/zinc/23/69/26/776236926.db2.gz FBNAJLKHWZCOEE-SCZZXKLOSA-N 1 2 296.331 -2.052 20 0 CAADLO CCn1nncc1C(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C[C@@H]1O ZINC001090248181 776236934 /nfs/dbraw/zinc/23/69/34/776236934.db2.gz FBNAJLKHWZCOEE-SCZZXKLOSA-N 1 2 296.331 -2.052 20 0 CAADLO Cn1cc(C(=O)N[C@H]2CC[N@H+](CCF)C[C@@H]2O)nn1 ZINC001090242266 776236959 /nfs/dbraw/zinc/23/69/59/776236959.db2.gz WXXGOIBSDDVYGI-WPRPVWTQSA-N 1 2 271.296 -1.050 20 0 CAADLO Cn1cc(C(=O)N[C@H]2CC[N@@H+](CCF)C[C@@H]2O)nn1 ZINC001090242266 776236967 /nfs/dbraw/zinc/23/69/67/776236967.db2.gz WXXGOIBSDDVYGI-WPRPVWTQSA-N 1 2 271.296 -1.050 20 0 CAADLO Cc1nnc(CC(=O)N[C@@H]2CC[N@H+](CC(N)=O)C[C@H]2O)[nH]1 ZINC001090255627 776237451 /nfs/dbraw/zinc/23/74/51/776237451.db2.gz GNVOKCCBZAVJEM-RKDXNWHRSA-N 1 2 296.331 -2.308 20 0 CAADLO Cc1nnc(CC(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C[C@H]2O)[nH]1 ZINC001090255627 776237453 /nfs/dbraw/zinc/23/74/53/776237453.db2.gz GNVOKCCBZAVJEM-RKDXNWHRSA-N 1 2 296.331 -2.308 20 0 CAADLO Cc1c[nH]nc1C(=O)N[C@@H]1CC[N@H+](CC(N)=O)C[C@@H]1O ZINC001090251273 776237829 /nfs/dbraw/zinc/23/78/29/776237829.db2.gz HXUMGCVUZLVVRD-BDAKNGLRSA-N 1 2 281.316 -1.632 20 0 CAADLO Cc1c[nH]nc1C(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C[C@@H]1O ZINC001090251273 776237840 /nfs/dbraw/zinc/23/78/40/776237840.db2.gz HXUMGCVUZLVVRD-BDAKNGLRSA-N 1 2 281.316 -1.632 20 0 CAADLO Cc1c[nH]nc1C(=O)N[C@H]1CC[N@H+](CC(N)=O)C[C@@H]1O ZINC001090251275 776237868 /nfs/dbraw/zinc/23/78/68/776237868.db2.gz HXUMGCVUZLVVRD-IUCAKERBSA-N 1 2 281.316 -1.632 20 0 CAADLO Cc1c[nH]nc1C(=O)N[C@H]1CC[N@@H+](CC(N)=O)C[C@@H]1O ZINC001090251275 776237881 /nfs/dbraw/zinc/23/78/81/776237881.db2.gz HXUMGCVUZLVVRD-IUCAKERBSA-N 1 2 281.316 -1.632 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)c2ncc[nH]2)[C@@H](O)C1 ZINC001090250811 776237903 /nfs/dbraw/zinc/23/79/03/776237903.db2.gz FWNQQMXYVAHSNQ-YUMQZZPRSA-N 1 2 267.289 -1.940 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)c2ncc[nH]2)[C@@H](O)C1 ZINC001090250811 776237912 /nfs/dbraw/zinc/23/79/12/776237912.db2.gz FWNQQMXYVAHSNQ-YUMQZZPRSA-N 1 2 267.289 -1.940 20 0 CAADLO Cc1c[nH]nc1C(=O)N[C@H]1CC[N@H+](CC(N)=O)C[C@H]1O ZINC001090251274 776238221 /nfs/dbraw/zinc/23/82/21/776238221.db2.gz HXUMGCVUZLVVRD-DTWKUNHWSA-N 1 2 281.316 -1.632 20 0 CAADLO Cc1c[nH]nc1C(=O)N[C@H]1CC[N@@H+](CC(N)=O)C[C@H]1O ZINC001090251274 776238228 /nfs/dbraw/zinc/23/82/28/776238228.db2.gz HXUMGCVUZLVVRD-DTWKUNHWSA-N 1 2 281.316 -1.632 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ncc[nH]2)[C@H](O)C1 ZINC001090250806 776238617 /nfs/dbraw/zinc/23/86/17/776238617.db2.gz FWNQQMXYVAHSNQ-HTQZYQBOSA-N 1 2 267.289 -1.940 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)c2ncc[nH]2)[C@H](O)C1 ZINC001090250806 776238623 /nfs/dbraw/zinc/23/86/23/776238623.db2.gz FWNQQMXYVAHSNQ-HTQZYQBOSA-N 1 2 267.289 -1.940 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2n[nH]cc2C)[C@@H](O)C1 ZINC001090253139 776238668 /nfs/dbraw/zinc/23/86/68/776238668.db2.gz ZPUCPLGOLMZFIJ-ZJUUUORDSA-N 1 2 295.343 -1.371 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2n[nH]cc2C)[C@@H](O)C1 ZINC001090253139 776238670 /nfs/dbraw/zinc/23/86/70/776238670.db2.gz ZPUCPLGOLMZFIJ-ZJUUUORDSA-N 1 2 295.343 -1.371 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2ncc[nH]2)[C@@H](O)C1 ZINC001090250067 776238823 /nfs/dbraw/zinc/23/88/23/776238823.db2.gz VUYULVVGAOOTKJ-IUCAKERBSA-N 1 2 281.316 -1.679 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)c2ncc[nH]2)[C@@H](O)C1 ZINC001090250067 776238828 /nfs/dbraw/zinc/23/88/28/776238828.db2.gz VUYULVVGAOOTKJ-IUCAKERBSA-N 1 2 281.316 -1.679 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2n[nH]cc2C)[C@@H](O)C1 ZINC001090253137 776238931 /nfs/dbraw/zinc/23/89/31/776238931.db2.gz ZPUCPLGOLMZFIJ-UWVGGRQHSA-N 1 2 295.343 -1.371 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)c2n[nH]cc2C)[C@@H](O)C1 ZINC001090253137 776238933 /nfs/dbraw/zinc/23/89/33/776238933.db2.gz ZPUCPLGOLMZFIJ-UWVGGRQHSA-N 1 2 295.343 -1.371 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ncc[nH]2)[C@H](O)C1 ZINC001090250069 776238997 /nfs/dbraw/zinc/23/89/97/776238997.db2.gz VUYULVVGAOOTKJ-RKDXNWHRSA-N 1 2 281.316 -1.679 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2ncc[nH]2)[C@H](O)C1 ZINC001090250069 776239000 /nfs/dbraw/zinc/23/90/00/776239000.db2.gz VUYULVVGAOOTKJ-RKDXNWHRSA-N 1 2 281.316 -1.679 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2n[nH]cc2C)[C@H](O)C1 ZINC001090253138 776239015 /nfs/dbraw/zinc/23/90/15/776239015.db2.gz ZPUCPLGOLMZFIJ-VHSXEESVSA-N 1 2 295.343 -1.371 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)c2n[nH]cc2C)[C@H](O)C1 ZINC001090253138 776239021 /nfs/dbraw/zinc/23/90/21/776239021.db2.gz ZPUCPLGOLMZFIJ-VHSXEESVSA-N 1 2 295.343 -1.371 20 0 CAADLO NS(=O)(=O)Cc1ccc(-n2[nH]c(=O)nc2C[NH3+])nc1 ZINC001168760187 776245590 /nfs/dbraw/zinc/24/55/90/776245590.db2.gz BSMNSXOPOWLIDC-UHFFFAOYSA-N 1 2 284.301 -1.385 20 0 CAADLO NC(=O)C(=O)N1CCOC[C@@H]1CNC(=O)Cc1c[nH]c[nH+]1 ZINC001061931507 776246604 /nfs/dbraw/zinc/24/66/04/776246604.db2.gz JKBPJOAZGMASHB-VIFPVBQESA-N 1 2 295.299 -2.219 20 0 CAADLO O=C(CN1CC(=O)NC1=O)N[C@@H]1C[N@@H+](CCF)C[C@@H]1O ZINC001083869561 776249045 /nfs/dbraw/zinc/24/90/45/776249045.db2.gz MZKQVWLRZMLCEF-SFYZADRCSA-N 1 2 288.279 -2.331 20 0 CAADLO O=C(CN1CC(=O)NC1=O)N[C@@H]1C[N@H+](CCF)C[C@@H]1O ZINC001083869561 776249049 /nfs/dbraw/zinc/24/90/49/776249049.db2.gz MZKQVWLRZMLCEF-SFYZADRCSA-N 1 2 288.279 -2.331 20 0 CAADLO NC(=O)C(=O)NC[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001062264536 776249078 /nfs/dbraw/zinc/24/90/78/776249078.db2.gz XZPSZTSIJPMUKJ-SNVBAGLBSA-N 1 2 293.327 -1.134 20 0 CAADLO Cn1ccc(CC(=O)N[C@H]2CC[N@H+](CC(N)=O)C[C@@H]2O)n1 ZINC001090260650 776254069 /nfs/dbraw/zinc/25/40/69/776254069.db2.gz IWGXJDOMKLSRNM-QWRGUYRKSA-N 1 2 295.343 -2.001 20 0 CAADLO Cn1ccc(CC(=O)N[C@H]2CC[N@@H+](CC(N)=O)C[C@@H]2O)n1 ZINC001090260650 776254072 /nfs/dbraw/zinc/25/40/72/776254072.db2.gz IWGXJDOMKLSRNM-QWRGUYRKSA-N 1 2 295.343 -2.001 20 0 CAADLO Cn1ccc(CC(=O)N[C@@H]2CC[N@H+](CC(N)=O)C[C@@H]2O)n1 ZINC001090260649 776254085 /nfs/dbraw/zinc/25/40/85/776254085.db2.gz IWGXJDOMKLSRNM-MNOVXSKESA-N 1 2 295.343 -2.001 20 0 CAADLO Cn1ccc(CC(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C[C@@H]2O)n1 ZINC001090260649 776254088 /nfs/dbraw/zinc/25/40/88/776254088.db2.gz IWGXJDOMKLSRNM-MNOVXSKESA-N 1 2 295.343 -2.001 20 0 CAADLO Cc1cn(C)nc1C(=O)N[C@H]1CC[N@H+](CC(N)=O)C[C@H]1O ZINC001090260602 776254208 /nfs/dbraw/zinc/25/42/08/776254208.db2.gz IHEBATYAFUIWSB-VHSXEESVSA-N 1 2 295.343 -1.621 20 0 CAADLO Cc1cn(C)nc1C(=O)N[C@H]1CC[N@@H+](CC(N)=O)C[C@H]1O ZINC001090260602 776254213 /nfs/dbraw/zinc/25/42/13/776254213.db2.gz IHEBATYAFUIWSB-VHSXEESVSA-N 1 2 295.343 -1.621 20 0 CAADLO Cc1ccc(C(=O)N[C@H]2CC[N@H+](CC(N)=O)C[C@H]2O)nn1 ZINC001090259312 776254256 /nfs/dbraw/zinc/25/42/56/776254256.db2.gz TXDDAMIWNTYOIY-GXSJLCMTSA-N 1 2 293.327 -1.565 20 0 CAADLO Cc1ccc(C(=O)N[C@H]2CC[N@@H+](CC(N)=O)C[C@H]2O)nn1 ZINC001090259312 776254262 /nfs/dbraw/zinc/25/42/62/776254262.db2.gz TXDDAMIWNTYOIY-GXSJLCMTSA-N 1 2 293.327 -1.565 20 0 CAADLO Cc1cn(C)nc1C(=O)N[C@@H]1CC[N@H+](CC(N)=O)C[C@@H]1O ZINC001090260605 776254420 /nfs/dbraw/zinc/25/44/20/776254420.db2.gz IHEBATYAFUIWSB-ZJUUUORDSA-N 1 2 295.343 -1.621 20 0 CAADLO Cc1cn(C)nc1C(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C[C@@H]1O ZINC001090260605 776254426 /nfs/dbraw/zinc/25/44/26/776254426.db2.gz IHEBATYAFUIWSB-ZJUUUORDSA-N 1 2 295.343 -1.621 20 0 CAADLO O=C(N[C@@H]1C[N@@H+](CCn2cccn2)C[C@@H]1O)c1ncn[nH]1 ZINC001083873825 776256639 /nfs/dbraw/zinc/25/66/39/776256639.db2.gz RUECNDLQMOSJCF-ZJUUUORDSA-N 1 2 291.315 -1.524 20 0 CAADLO O=C(N[C@@H]1C[N@H+](CCn2cccn2)C[C@@H]1O)c1ncn[nH]1 ZINC001083873825 776256647 /nfs/dbraw/zinc/25/66/47/776256647.db2.gz RUECNDLQMOSJCF-ZJUUUORDSA-N 1 2 291.315 -1.524 20 0 CAADLO COC[C@@H](C)[N@H+]1C[C@@H](NC(=O)c2ncn[nH]2)[C@@H](O)C1 ZINC001083874190 776257362 /nfs/dbraw/zinc/25/73/62/776257362.db2.gz JYRPLUAHKVBWDZ-HLTSFMKQSA-N 1 2 269.305 -1.386 20 0 CAADLO COC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2ncn[nH]2)[C@@H](O)C1 ZINC001083874190 776257367 /nfs/dbraw/zinc/25/73/67/776257367.db2.gz JYRPLUAHKVBWDZ-HLTSFMKQSA-N 1 2 269.305 -1.386 20 0 CAADLO COC[C@@H](C)[N@H+]1C[C@@H](NC(=O)c2nc[nH]n2)[C@@H](O)C1 ZINC001083874190 776257372 /nfs/dbraw/zinc/25/73/72/776257372.db2.gz JYRPLUAHKVBWDZ-HLTSFMKQSA-N 1 2 269.305 -1.386 20 0 CAADLO COC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2nc[nH]n2)[C@@H](O)C1 ZINC001083874190 776257378 /nfs/dbraw/zinc/25/73/78/776257378.db2.gz JYRPLUAHKVBWDZ-HLTSFMKQSA-N 1 2 269.305 -1.386 20 0 CAADLO CC[C@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)c2ccncn2)[C@@H](O)C1 ZINC001083874923 776258359 /nfs/dbraw/zinc/25/83/59/776258359.db2.gz SXEVMCFVNOSFLY-MXWKQRLJSA-N 1 2 293.327 -1.485 20 0 CAADLO CC[C@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)c2ccncn2)[C@@H](O)C1 ZINC001083874923 776258362 /nfs/dbraw/zinc/25/83/62/776258362.db2.gz SXEVMCFVNOSFLY-MXWKQRLJSA-N 1 2 293.327 -1.485 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cn2ncnn2)[C@H](O)C1 ZINC001090268102 776259910 /nfs/dbraw/zinc/25/99/10/776259910.db2.gz GRSCLOCFHRBHLE-RKDXNWHRSA-N 1 2 297.319 -3.030 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)Cn2ncnn2)[C@H](O)C1 ZINC001090268102 776259914 /nfs/dbraw/zinc/25/99/14/776259914.db2.gz GRSCLOCFHRBHLE-RKDXNWHRSA-N 1 2 297.319 -3.030 20 0 CAADLO O=C(N[C@@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O)c1cnon1 ZINC001083876707 776260197 /nfs/dbraw/zinc/26/01/97/776260197.db2.gz NJXSRNSZGQBQGF-ZJUUUORDSA-N 1 2 293.287 -1.864 20 0 CAADLO O=C(N[C@@H]1C[N@H+](CCn2cncn2)C[C@@H]1O)c1cnon1 ZINC001083876707 776260199 /nfs/dbraw/zinc/26/01/99/776260199.db2.gz NJXSRNSZGQBQGF-ZJUUUORDSA-N 1 2 293.287 -1.864 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)Cn2ncnn2)[C@H](O)C1 ZINC001090269916 776261762 /nfs/dbraw/zinc/26/17/62/776261762.db2.gz VBLYSGWDDGOMBJ-JGVFFNPUSA-N 1 2 283.292 -3.290 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)Cn2ncnn2)[C@H](O)C1 ZINC001090269916 776261764 /nfs/dbraw/zinc/26/17/64/776261764.db2.gz VBLYSGWDDGOMBJ-JGVFFNPUSA-N 1 2 283.292 -3.290 20 0 CAADLO C[C@@]1(CNC(=O)C(N)=O)C[N@H+](CCn2cncn2)CCO1 ZINC001108174796 776263353 /nfs/dbraw/zinc/26/33/53/776263353.db2.gz IWFUCPBLFQGLRW-GFCCVEGCSA-N 1 2 296.331 -2.030 20 0 CAADLO C[C@@]1(CNC(=O)C(N)=O)C[N@@H+](CCn2cncn2)CCO1 ZINC001108174796 776263356 /nfs/dbraw/zinc/26/33/56/776263356.db2.gz IWFUCPBLFQGLRW-GFCCVEGCSA-N 1 2 296.331 -2.030 20 0 CAADLO C[C@]1(CNC(=O)C(N)=O)C[N@H+](CCn2cncn2)CCO1 ZINC001108174797 776263512 /nfs/dbraw/zinc/26/35/12/776263512.db2.gz IWFUCPBLFQGLRW-LBPRGKRZSA-N 1 2 296.331 -2.030 20 0 CAADLO C[C@]1(CNC(=O)C(N)=O)C[N@@H+](CCn2cncn2)CCO1 ZINC001108174797 776263517 /nfs/dbraw/zinc/26/35/17/776263517.db2.gz IWFUCPBLFQGLRW-LBPRGKRZSA-N 1 2 296.331 -2.030 20 0 CAADLO CC[C@@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)c2cccnn2)[C@@H](O)C1 ZINC001083881225 776264301 /nfs/dbraw/zinc/26/43/01/776264301.db2.gz SVWWCLJTHPWATH-VWYCJHECSA-N 1 2 293.327 -1.485 20 0 CAADLO CC[C@@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)c2cccnn2)[C@@H](O)C1 ZINC001083881225 776264310 /nfs/dbraw/zinc/26/43/10/776264310.db2.gz SVWWCLJTHPWATH-VWYCJHECSA-N 1 2 293.327 -1.485 20 0 CAADLO CC[C@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)c2cccnn2)[C@@H](O)C1 ZINC001083881224 776264842 /nfs/dbraw/zinc/26/48/42/776264842.db2.gz SVWWCLJTHPWATH-MXWKQRLJSA-N 1 2 293.327 -1.485 20 0 CAADLO CC[C@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)c2cccnn2)[C@@H](O)C1 ZINC001083881224 776264846 /nfs/dbraw/zinc/26/48/46/776264846.db2.gz SVWWCLJTHPWATH-MXWKQRLJSA-N 1 2 293.327 -1.485 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cc[nH]c2)[C@H](O)C1 ZINC001090278591 776265823 /nfs/dbraw/zinc/26/58/23/776265823.db2.gz DYHIXIRHZWEVJJ-GHMZBOCLSA-N 1 2 280.328 -1.074 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cc[nH]c2)[C@H](O)C1 ZINC001090278591 776265827 /nfs/dbraw/zinc/26/58/27/776265827.db2.gz DYHIXIRHZWEVJJ-GHMZBOCLSA-N 1 2 280.328 -1.074 20 0 CAADLO NC(=O)CC(=O)NCC1(NC(=O)Cc2[nH]cc[nH+]2)CCC1 ZINC001062733497 776267946 /nfs/dbraw/zinc/26/79/46/776267946.db2.gz HQMOSDARCYQKLP-UHFFFAOYSA-N 1 2 293.327 -1.017 20 0 CAADLO CN(C)C(=O)C[N@H+]1C[C@@H](NC(=O)[C@@]2(C)CCOC2)[C@@H](O)C1 ZINC001083893561 776274859 /nfs/dbraw/zinc/27/48/59/776274859.db2.gz XTVMRQOYMOGMRC-SUNKGSAMSA-N 1 2 299.371 -1.338 20 0 CAADLO CN(C)C(=O)C[N@@H+]1C[C@@H](NC(=O)[C@@]2(C)CCOC2)[C@@H](O)C1 ZINC001083893561 776274863 /nfs/dbraw/zinc/27/48/63/776274863.db2.gz XTVMRQOYMOGMRC-SUNKGSAMSA-N 1 2 299.371 -1.338 20 0 CAADLO NC(=O)CC(=O)NC1(CNC(=O)Cn2cc[nH+]c2)CCC1 ZINC001063517863 776275560 /nfs/dbraw/zinc/27/55/60/776275560.db2.gz PCOGWVPEDKFRMM-UHFFFAOYSA-N 1 2 293.327 -1.086 20 0 CAADLO NC(=O)C(=O)NCC1(NC(=O)CCc2[nH]cc[nH+]2)CCC1 ZINC001064289691 776280652 /nfs/dbraw/zinc/28/06/52/776280652.db2.gz FXFUFCDZSOQXCP-UHFFFAOYSA-N 1 2 293.327 -1.017 20 0 CAADLO C[N@@H+]1CCO[C@H](C(=O)NC2(CNC(=O)C(N)=O)CCC2)C1 ZINC001064289632 776280675 /nfs/dbraw/zinc/28/06/75/776280675.db2.gz DATQSJTXGLPJOQ-VIFPVBQESA-N 1 2 298.343 -2.043 20 0 CAADLO C[N@H+]1CCO[C@H](C(=O)NC2(CNC(=O)C(N)=O)CCC2)C1 ZINC001064289632 776280678 /nfs/dbraw/zinc/28/06/78/776280678.db2.gz DATQSJTXGLPJOQ-VIFPVBQESA-N 1 2 298.343 -2.043 20 0 CAADLO NC(=O)C(=O)NCC1(NC(=O)Cn2cc[nH+]c2)CCC1 ZINC001064296740 776281377 /nfs/dbraw/zinc/28/13/77/776281377.db2.gz OMNGHJDHEGCBPR-UHFFFAOYSA-N 1 2 279.300 -1.477 20 0 CAADLO NC(=O)C(=O)NCC1(NC(=O)CCn2cc[nH+]c2)CCC1 ZINC001064296525 776281961 /nfs/dbraw/zinc/28/19/61/776281961.db2.gz IFFROBGRFLFKLD-UHFFFAOYSA-N 1 2 293.327 -1.086 20 0 CAADLO O=C(N[C@@H]1CC[N@@H+](CCO)C[C@@H]1O)C1CS(=O)(=O)C1 ZINC001090294560 776285353 /nfs/dbraw/zinc/28/53/53/776285353.db2.gz ZGGQMWOKSVSOFZ-ZJUUUORDSA-N 1 2 292.357 -2.425 20 0 CAADLO O=C(N[C@@H]1CC[N@H+](CCO)C[C@@H]1O)C1CS(=O)(=O)C1 ZINC001090294560 776285357 /nfs/dbraw/zinc/28/53/57/776285357.db2.gz ZGGQMWOKSVSOFZ-ZJUUUORDSA-N 1 2 292.357 -2.425 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)c2ccns2)[C@H](O)C1 ZINC001090304040 776286983 /nfs/dbraw/zinc/28/69/83/776286983.db2.gz PTCRCPUJCXCXOH-JGVFFNPUSA-N 1 2 284.341 -1.207 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)c2ccns2)[C@H](O)C1 ZINC001090304040 776286989 /nfs/dbraw/zinc/28/69/89/776286989.db2.gz PTCRCPUJCXCXOH-JGVFFNPUSA-N 1 2 284.341 -1.207 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ccns2)[C@H](O)C1 ZINC001090304039 776287539 /nfs/dbraw/zinc/28/75/39/776287539.db2.gz PTCRCPUJCXCXOH-HTQZYQBOSA-N 1 2 284.341 -1.207 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)c2ccns2)[C@H](O)C1 ZINC001090304039 776287543 /nfs/dbraw/zinc/28/75/43/776287543.db2.gz PTCRCPUJCXCXOH-HTQZYQBOSA-N 1 2 284.341 -1.207 20 0 CAADLO COCC(=O)N1CCO[C@@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001064756116 776290242 /nfs/dbraw/zinc/29/02/42/776290242.db2.gz GRZRAYKZEXIZTG-NSHDSACASA-N 1 2 296.327 -1.127 20 0 CAADLO Cc1ncc(CC(=O)N[C@@H]2CC[N@H+](CC(N)=O)C[C@@H]2O)o1 ZINC001090321726 776291462 /nfs/dbraw/zinc/29/14/62/776291462.db2.gz HXWXJPOZKHHRBW-MNOVXSKESA-N 1 2 296.327 -1.438 20 0 CAADLO Cc1ncc(CC(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C[C@@H]2O)o1 ZINC001090321726 776291467 /nfs/dbraw/zinc/29/14/67/776291467.db2.gz HXWXJPOZKHHRBW-MNOVXSKESA-N 1 2 296.327 -1.438 20 0 CAADLO Cc1ncc(CC(=O)N[C@H]2CC[N@H+](CC(N)=O)C[C@H]2O)o1 ZINC001090321728 776291754 /nfs/dbraw/zinc/29/17/54/776291754.db2.gz HXWXJPOZKHHRBW-WDEREUQCSA-N 1 2 296.327 -1.438 20 0 CAADLO Cc1ncc(CC(=O)N[C@H]2CC[N@@H+](CC(N)=O)C[C@H]2O)o1 ZINC001090321728 776291757 /nfs/dbraw/zinc/29/17/57/776291757.db2.gz HXWXJPOZKHHRBW-WDEREUQCSA-N 1 2 296.327 -1.438 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cc2cncs2)[C@H](O)C1 ZINC001090341884 776295458 /nfs/dbraw/zinc/29/54/58/776295458.db2.gz LVIMQODEJVMFQD-NXEZZACHSA-N 1 2 298.368 -1.278 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)Cc2cncs2)[C@H](O)C1 ZINC001090341884 776295462 /nfs/dbraw/zinc/29/54/62/776295462.db2.gz LVIMQODEJVMFQD-NXEZZACHSA-N 1 2 298.368 -1.278 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)Cc2cncs2)[C@@H](O)C1 ZINC001090341885 776296019 /nfs/dbraw/zinc/29/60/19/776296019.db2.gz LVIMQODEJVMFQD-UWVGGRQHSA-N 1 2 298.368 -1.278 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)Cc2cncs2)[C@@H](O)C1 ZINC001090341885 776296026 /nfs/dbraw/zinc/29/60/26/776296026.db2.gz LVIMQODEJVMFQD-UWVGGRQHSA-N 1 2 298.368 -1.278 20 0 CAADLO Cc1noc(C(=O)N[C@H]2CC[N@H+](CC(N)=O)C[C@H]2O)c1C ZINC001090349804 776297188 /nfs/dbraw/zinc/29/71/88/776297188.db2.gz QENXBSPGZQZJPY-VHSXEESVSA-N 1 2 296.327 -1.058 20 0 CAADLO Cc1noc(C(=O)N[C@H]2CC[N@@H+](CC(N)=O)C[C@H]2O)c1C ZINC001090349804 776297192 /nfs/dbraw/zinc/29/71/92/776297192.db2.gz QENXBSPGZQZJPY-VHSXEESVSA-N 1 2 296.327 -1.058 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)c2ccsn2)[C@H](O)C1 ZINC001090353069 776297628 /nfs/dbraw/zinc/29/76/28/776297628.db2.gz WIHVEYHVCHNXJM-IONNQARKSA-N 1 2 284.341 -1.207 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)c2ccsn2)[C@H](O)C1 ZINC001090353069 776297633 /nfs/dbraw/zinc/29/76/33/776297633.db2.gz WIHVEYHVCHNXJM-IONNQARKSA-N 1 2 284.341 -1.207 20 0 CAADLO Cc1noc(C(=O)N[C@@H]2CC[N@H+](CC(N)=O)C[C@@H]2O)c1C ZINC001090349806 776297712 /nfs/dbraw/zinc/29/77/12/776297712.db2.gz QENXBSPGZQZJPY-ZJUUUORDSA-N 1 2 296.327 -1.058 20 0 CAADLO Cc1noc(C(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C[C@@H]2O)c1C ZINC001090349806 776297717 /nfs/dbraw/zinc/29/77/17/776297717.db2.gz QENXBSPGZQZJPY-ZJUUUORDSA-N 1 2 296.327 -1.058 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)COC2CCCC2)[C@H](O)C1 ZINC001099697544 776298584 /nfs/dbraw/zinc/29/85/84/776298584.db2.gz BAPIUXOKIFWNIV-NWDGAFQWSA-N 1 2 299.371 -1.018 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)COC2CCCC2)[C@H](O)C1 ZINC001099697544 776298585 /nfs/dbraw/zinc/29/85/85/776298585.db2.gz BAPIUXOKIFWNIV-NWDGAFQWSA-N 1 2 299.371 -1.018 20 0 CAADLO C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1NC(=O)[C@@H]1COCCO1 ZINC001079440870 776304813 /nfs/dbraw/zinc/30/48/13/776304813.db2.gz WUEYPYRYPDORQN-BBBLOLIVSA-N 1 2 271.317 -1.676 20 0 CAADLO C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1NC(=O)[C@@H]1COCCO1 ZINC001079440870 776304817 /nfs/dbraw/zinc/30/48/17/776304817.db2.gz WUEYPYRYPDORQN-BBBLOLIVSA-N 1 2 271.317 -1.676 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2nccnc2N)C1 ZINC001079504988 776305229 /nfs/dbraw/zinc/30/52/29/776305229.db2.gz BQNYZCLIIPFJIE-IWSPIJDZSA-N 1 2 292.343 -1.017 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1C[C@@H](C)[C@H](NC(=O)c2nccnc2N)C1 ZINC001079504988 776305238 /nfs/dbraw/zinc/30/52/38/776305238.db2.gz BQNYZCLIIPFJIE-IWSPIJDZSA-N 1 2 292.343 -1.017 20 0 CAADLO CNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2nccnc2N)C1 ZINC001079503390 776305421 /nfs/dbraw/zinc/30/54/21/776305421.db2.gz HRLGFFFKEWIKKS-RKDXNWHRSA-N 1 2 292.343 -1.145 20 0 CAADLO CNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2nccnc2N)C1 ZINC001079503390 776305424 /nfs/dbraw/zinc/30/54/24/776305424.db2.gz HRLGFFFKEWIKKS-RKDXNWHRSA-N 1 2 292.343 -1.145 20 0 CAADLO C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1NC(=O)c1cn[nH]c1 ZINC001079449455 776305672 /nfs/dbraw/zinc/30/56/72/776305672.db2.gz PMAUJGOFISLXFT-VXNVDRBHSA-N 1 2 251.290 -1.055 20 0 CAADLO C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1NC(=O)c1cn[nH]c1 ZINC001079449455 776305681 /nfs/dbraw/zinc/30/56/81/776305681.db2.gz PMAUJGOFISLXFT-VXNVDRBHSA-N 1 2 251.290 -1.055 20 0 CAADLO C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1NC(=O)c1nccnc1N ZINC001079505392 776305718 /nfs/dbraw/zinc/30/57/18/776305718.db2.gz WDVJSIDXPIMEQS-HTQZYQBOSA-N 1 2 278.316 -1.406 20 0 CAADLO C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1NC(=O)c1nccnc1N ZINC001079505392 776305726 /nfs/dbraw/zinc/30/57/26/776305726.db2.gz WDVJSIDXPIMEQS-HTQZYQBOSA-N 1 2 278.316 -1.406 20 0 CAADLO CS(=O)(=O)CC(=O)N[C@@H]1CC[N@H+](CCO)C[C@H]1O ZINC001099717790 776335752 /nfs/dbraw/zinc/33/57/52/776335752.db2.gz BSIZSZVPFQMAEQ-RKDXNWHRSA-N 1 2 280.346 -2.425 20 0 CAADLO CS(=O)(=O)CC(=O)N[C@@H]1CC[N@@H+](CCO)C[C@H]1O ZINC001099717790 776335762 /nfs/dbraw/zinc/33/57/62/776335762.db2.gz BSIZSZVPFQMAEQ-RKDXNWHRSA-N 1 2 280.346 -2.425 20 0 CAADLO CCN(C(=O)CC(N)=O)C1CN(C(=O)Cn2cc[nH+]c2)C1 ZINC001079538976 776307721 /nfs/dbraw/zinc/30/77/21/776307721.db2.gz SSSSNZSCKXHBMW-UHFFFAOYSA-N 1 2 293.327 -1.182 20 0 CAADLO C[C@@H](C(=O)N[C@@H]1C[N@H+](CC(N)=O)C[C@H]1C)n1cncn1 ZINC001079596240 776309152 /nfs/dbraw/zinc/30/91/52/776309152.db2.gz VWCUOBRYLVGBCY-KXUCPTDWSA-N 1 2 280.332 -1.239 20 0 CAADLO C[C@@H](C(=O)N[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1C)n1cncn1 ZINC001079596240 776309160 /nfs/dbraw/zinc/30/91/60/776309160.db2.gz VWCUOBRYLVGBCY-KXUCPTDWSA-N 1 2 280.332 -1.239 20 0 CAADLO CCN(C(=O)Cn1cc[nH+]c1)C1CN(C(=O)CC(N)=O)C1 ZINC001080031922 776315827 /nfs/dbraw/zinc/31/58/27/776315827.db2.gz LBOSXUAMAWAKGW-UHFFFAOYSA-N 1 2 293.327 -1.182 20 0 CAADLO C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1NC(=O)[C@H]1OCCO[C@H]1C ZINC001079883631 776315850 /nfs/dbraw/zinc/31/58/50/776315850.db2.gz NFBYGLUGEYLQMH-KLBPJQLPSA-N 1 2 285.344 -1.288 20 0 CAADLO C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1NC(=O)[C@H]1OCCO[C@H]1C ZINC001079883631 776315860 /nfs/dbraw/zinc/31/58/60/776315860.db2.gz NFBYGLUGEYLQMH-KLBPJQLPSA-N 1 2 285.344 -1.288 20 0 CAADLO CCN(C(=O)Cn1cc[nH+]c1)C1CN(C(=O)C(N)=O)C1 ZINC001080033722 776317550 /nfs/dbraw/zinc/31/75/50/776317550.db2.gz OKQADVZPWZLFLB-UHFFFAOYSA-N 1 2 279.300 -1.572 20 0 CAADLO COCCCC(=O)N[C@H]1CC[N@H+](CC(N)=O)C[C@@H]1O ZINC001099706459 776317636 /nfs/dbraw/zinc/31/76/36/776317636.db2.gz BRORMBVAALCHKR-UWVGGRQHSA-N 1 2 273.333 -1.550 20 0 CAADLO COCCCC(=O)N[C@H]1CC[N@@H+](CC(N)=O)C[C@@H]1O ZINC001099706459 776317644 /nfs/dbraw/zinc/31/76/44/776317644.db2.gz BRORMBVAALCHKR-UWVGGRQHSA-N 1 2 273.333 -1.550 20 0 CAADLO CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2ccon2)[C@@H](O)C1 ZINC001099708112 776319414 /nfs/dbraw/zinc/31/94/14/776319414.db2.gz YHQLKBSMCKIQFW-ONGXEEELSA-N 1 2 296.327 -1.024 20 0 CAADLO CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2ccon2)[C@@H](O)C1 ZINC001099708112 776319420 /nfs/dbraw/zinc/31/94/20/776319420.db2.gz YHQLKBSMCKIQFW-ONGXEEELSA-N 1 2 296.327 -1.024 20 0 CAADLO CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ccon2)[C@@H](O)C1 ZINC001099708110 776319785 /nfs/dbraw/zinc/31/97/85/776319785.db2.gz YHQLKBSMCKIQFW-KOLCDFICSA-N 1 2 296.327 -1.024 20 0 CAADLO CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2ccon2)[C@@H](O)C1 ZINC001099708110 776319791 /nfs/dbraw/zinc/31/97/91/776319791.db2.gz YHQLKBSMCKIQFW-KOLCDFICSA-N 1 2 296.327 -1.024 20 0 CAADLO CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2ccon2)[C@H](O)C1 ZINC001099708109 776319895 /nfs/dbraw/zinc/31/98/95/776319895.db2.gz YHQLKBSMCKIQFW-GXSJLCMTSA-N 1 2 296.327 -1.024 20 0 CAADLO CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2ccon2)[C@H](O)C1 ZINC001099708109 776319901 /nfs/dbraw/zinc/31/99/01/776319901.db2.gz YHQLKBSMCKIQFW-GXSJLCMTSA-N 1 2 296.327 -1.024 20 0 CAADLO CNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2nnn(C)n2)C1 ZINC001080279226 776320709 /nfs/dbraw/zinc/32/07/09/776320709.db2.gz NCTWUFUMLKKOSU-HTQZYQBOSA-N 1 2 281.320 -1.994 20 0 CAADLO CNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2nnn(C)n2)C1 ZINC001080279226 776320712 /nfs/dbraw/zinc/32/07/12/776320712.db2.gz NCTWUFUMLKKOSU-HTQZYQBOSA-N 1 2 281.320 -1.994 20 0 CAADLO C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1NC(=O)[C@]1(C)CCC(=O)NC1 ZINC001080304309 776321168 /nfs/dbraw/zinc/32/11/68/776321168.db2.gz FCFUDACWJQETFM-GPCCPHFNSA-N 1 2 296.371 -1.176 20 0 CAADLO C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1NC(=O)[C@]1(C)CCC(=O)NC1 ZINC001080304309 776321179 /nfs/dbraw/zinc/32/11/79/776321179.db2.gz FCFUDACWJQETFM-GPCCPHFNSA-N 1 2 296.371 -1.176 20 0 CAADLO C[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1NC(=O)C(N)=O ZINC001080367849 776323318 /nfs/dbraw/zinc/32/33/18/776323318.db2.gz XUKJIXXPDWMQLT-RKDXNWHRSA-N 1 2 268.317 -1.860 20 0 CAADLO C[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1NC(=O)C(N)=O ZINC001080367849 776323327 /nfs/dbraw/zinc/32/33/27/776323327.db2.gz XUKJIXXPDWMQLT-RKDXNWHRSA-N 1 2 268.317 -1.860 20 0 CAADLO CCN(C(=O)Cc1[nH]cc[nH+]1)C1CN(C(=O)C(N)=O)C1 ZINC001080351043 776323635 /nfs/dbraw/zinc/32/36/35/776323635.db2.gz LABBOFWQLVCJIL-UHFFFAOYSA-N 1 2 279.300 -1.503 20 0 CAADLO C[C@@H]1C[N@H+](Cc2ccnn2C)C[C@H]1NC(=O)C(N)=O ZINC001080367641 776324031 /nfs/dbraw/zinc/32/40/31/776324031.db2.gz NQRHUPFPFZPXAI-PSASIEDQSA-N 1 2 265.317 -1.158 20 0 CAADLO C[C@@H]1C[N@@H+](Cc2ccnn2C)C[C@H]1NC(=O)C(N)=O ZINC001080367641 776324037 /nfs/dbraw/zinc/32/40/37/776324037.db2.gz NQRHUPFPFZPXAI-PSASIEDQSA-N 1 2 265.317 -1.158 20 0 CAADLO CCN(C(=O)Cc1[nH]cc[nH+]1)C1CN(C(=O)CC(N)=O)C1 ZINC001080347594 776324074 /nfs/dbraw/zinc/32/40/74/776324074.db2.gz YVBWYWUKKKHLES-UHFFFAOYSA-N 1 2 293.327 -1.113 20 0 CAADLO C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1NC(=O)c1cc(C(N)=O)co1 ZINC001080426365 776325188 /nfs/dbraw/zinc/32/51/88/776325188.db2.gz NHPRUDWTDLGDBS-VXNVDRBHSA-N 1 2 294.311 -1.086 20 0 CAADLO C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1NC(=O)c1cc(C(N)=O)co1 ZINC001080426365 776325197 /nfs/dbraw/zinc/32/51/97/776325197.db2.gz NHPRUDWTDLGDBS-VXNVDRBHSA-N 1 2 294.311 -1.086 20 0 CAADLO COc1cncc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)C(N)=O)C2)n1 ZINC001080369489 776325803 /nfs/dbraw/zinc/32/58/03/776325803.db2.gz ZYRLSEAOBSHVLL-PSASIEDQSA-N 1 2 293.327 -1.093 20 0 CAADLO COc1cncc(C[N@H+]2C[C@@H](C)[C@H](NC(=O)C(N)=O)C2)n1 ZINC001080369489 776325812 /nfs/dbraw/zinc/32/58/12/776325812.db2.gz ZYRLSEAOBSHVLL-PSASIEDQSA-N 1 2 293.327 -1.093 20 0 CAADLO CCN(C(=O)C(N)=O)C1CN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001080401951 776326750 /nfs/dbraw/zinc/32/67/50/776326750.db2.gz YBODAVBCHNBFIX-UHFFFAOYSA-N 1 2 293.327 -1.195 20 0 CAADLO CCN(C(=O)C(N)=O)C1CN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001080404967 776328890 /nfs/dbraw/zinc/32/88/90/776328890.db2.gz HUUAVIDCTWXOHK-UHFFFAOYSA-N 1 2 279.300 -1.503 20 0 CAADLO CNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cnn(C)n2)C1 ZINC001080614498 776331311 /nfs/dbraw/zinc/33/13/11/776331311.db2.gz SSTZVACENMOWBZ-PSASIEDQSA-N 1 2 280.332 -1.389 20 0 CAADLO CNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cnn(C)n2)C1 ZINC001080614498 776331315 /nfs/dbraw/zinc/33/13/15/776331315.db2.gz SSTZVACENMOWBZ-PSASIEDQSA-N 1 2 280.332 -1.389 20 0 CAADLO CCCOCC(=O)N[C@H]1CC[N@H+](CC(=O)NC)C[C@H]1O ZINC001099716206 776331331 /nfs/dbraw/zinc/33/13/31/776331331.db2.gz RMLAILLFSZNUKG-WDEREUQCSA-N 1 2 287.360 -1.290 20 0 CAADLO CCCOCC(=O)N[C@H]1CC[N@@H+](CC(=O)NC)C[C@H]1O ZINC001099716206 776331339 /nfs/dbraw/zinc/33/13/39/776331339.db2.gz RMLAILLFSZNUKG-WDEREUQCSA-N 1 2 287.360 -1.290 20 0 CAADLO CCCOCC(=O)N[C@@H]1CC[N@H+](CC(=O)NC)C[C@@H]1O ZINC001099716204 776331724 /nfs/dbraw/zinc/33/17/24/776331724.db2.gz RMLAILLFSZNUKG-MNOVXSKESA-N 1 2 287.360 -1.290 20 0 CAADLO CCCOCC(=O)N[C@@H]1CC[N@@H+](CC(=O)NC)C[C@@H]1O ZINC001099716204 776331727 /nfs/dbraw/zinc/33/17/27/776331727.db2.gz RMLAILLFSZNUKG-MNOVXSKESA-N 1 2 287.360 -1.290 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cnn(C)n2)C1 ZINC001080614216 776332350 /nfs/dbraw/zinc/33/23/50/776332350.db2.gz GMVSJJVPOUOAMI-KHQFGBGNSA-N 1 2 280.332 -1.261 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cnn(C)n2)C1 ZINC001080614216 776332362 /nfs/dbraw/zinc/33/23/62/776332362.db2.gz GMVSJJVPOUOAMI-KHQFGBGNSA-N 1 2 280.332 -1.261 20 0 CAADLO C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1NC(=O)c1cnon1 ZINC001080648480 776334355 /nfs/dbraw/zinc/33/43/55/776334355.db2.gz NGRQTLAFRJQHSK-HTRCEHHLSA-N 1 2 253.262 -1.395 20 0 CAADLO C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1NC(=O)c1cnon1 ZINC001080648480 776334364 /nfs/dbraw/zinc/33/43/64/776334364.db2.gz NGRQTLAFRJQHSK-HTRCEHHLSA-N 1 2 253.262 -1.395 20 0 CAADLO Cc1nonc1CC(=O)N[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1C ZINC001080697574 776334798 /nfs/dbraw/zinc/33/47/98/776334798.db2.gz JDMKXVVRRSYVCC-GMSGAONNSA-N 1 2 281.316 -1.158 20 0 CAADLO Cc1nonc1CC(=O)N[C@@H]1C[N@H+](CC(N)=O)C[C@H]1C ZINC001080697574 776334807 /nfs/dbraw/zinc/33/48/07/776334807.db2.gz JDMKXVVRRSYVCC-GMSGAONNSA-N 1 2 281.316 -1.158 20 0 CAADLO O=C(NCCn1cc[nH+]c1)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1 ZINC001118551439 776335229 /nfs/dbraw/zinc/33/52/29/776335229.db2.gz UZDXAJHBDXDEEK-GMTAPVOTSA-N 1 2 267.285 -1.588 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cc2nnc[nH]2)C1 ZINC001080750754 776335601 /nfs/dbraw/zinc/33/56/01/776335601.db2.gz OFRDQVCHDASEAF-IWSPIJDZSA-N 1 2 280.332 -1.343 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1C[C@@H](C)[C@H](NC(=O)Cc2nnc[nH]2)C1 ZINC001080750754 776335611 /nfs/dbraw/zinc/33/56/11/776335611.db2.gz OFRDQVCHDASEAF-IWSPIJDZSA-N 1 2 280.332 -1.343 20 0 CAADLO CCn1cc(C(=O)N[C@@H]2C[N@H+](CC(N)=O)C[C@H]2C)nn1 ZINC001080687800 776335785 /nfs/dbraw/zinc/33/57/85/776335785.db2.gz HUDBHNHXEKNPRZ-RKDXNWHRSA-N 1 2 280.332 -1.167 20 0 CAADLO CCn1cc(C(=O)N[C@@H]2C[N@@H+](CC(N)=O)C[C@H]2C)nn1 ZINC001080687800 776335795 /nfs/dbraw/zinc/33/57/95/776335795.db2.gz HUDBHNHXEKNPRZ-RKDXNWHRSA-N 1 2 280.332 -1.167 20 0 CAADLO CS(=O)(=O)CC(=O)N[C@@H]1CC[N@H+](CCO)C[C@@H]1O ZINC001099717787 776335902 /nfs/dbraw/zinc/33/59/02/776335902.db2.gz BSIZSZVPFQMAEQ-BDAKNGLRSA-N 1 2 280.346 -2.425 20 0 CAADLO CS(=O)(=O)CC(=O)N[C@@H]1CC[N@@H+](CCO)C[C@@H]1O ZINC001099717787 776335915 /nfs/dbraw/zinc/33/59/15/776335915.db2.gz BSIZSZVPFQMAEQ-BDAKNGLRSA-N 1 2 280.346 -2.425 20 0 CAADLO CC(=O)N1CCC(CO)(NC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001080791275 776337970 /nfs/dbraw/zinc/33/79/70/776337970.db2.gz DSYXEUULMDBRCB-GFCCVEGCSA-N 1 2 299.371 -1.193 20 0 CAADLO CC(=O)N1CCC(CO)(NC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001080791275 776337979 /nfs/dbraw/zinc/33/79/79/776337979.db2.gz DSYXEUULMDBRCB-GFCCVEGCSA-N 1 2 299.371 -1.193 20 0 CAADLO COCC(=O)NC[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1O ZINC001081181881 776353287 /nfs/dbraw/zinc/35/32/87/776353287.db2.gz XUXODKIAXWUBQL-ZJUUUORDSA-N 1 2 296.327 -1.466 20 0 CAADLO COCC(=O)NC[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1O ZINC001081181880 776353699 /nfs/dbraw/zinc/35/36/99/776353699.db2.gz XUXODKIAXWUBQL-VHSXEESVSA-N 1 2 296.327 -1.466 20 0 CAADLO CO[C@@H]1C[N@@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1NC(C)=O ZINC001081238967 776357078 /nfs/dbraw/zinc/35/70/78/776357078.db2.gz YSTOTRWTFYHZEB-OPRDCNLKSA-N 1 2 269.301 -1.373 20 0 CAADLO CO[C@@H]1C[N@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1NC(C)=O ZINC001081238967 776357089 /nfs/dbraw/zinc/35/70/89/776357089.db2.gz YSTOTRWTFYHZEB-OPRDCNLKSA-N 1 2 269.301 -1.373 20 0 CAADLO CO[C@@H]1C[N@H+](CCF)C[C@H]1NC(=O)Cn1cnnn1 ZINC001081334219 776359716 /nfs/dbraw/zinc/35/97/16/776359716.db2.gz JPWMKYMCZOCHIZ-RKDXNWHRSA-N 1 2 272.284 -1.542 20 0 CAADLO CO[C@@H]1C[N@@H+](CCF)C[C@H]1NC(=O)Cn1cnnn1 ZINC001081334219 776359724 /nfs/dbraw/zinc/35/97/24/776359724.db2.gz JPWMKYMCZOCHIZ-RKDXNWHRSA-N 1 2 272.284 -1.542 20 0 CAADLO CO[C@@H]1C[N@@H+]([C@@H](C)C(N)=O)C[C@H]1NC(=O)Cn1cnnn1 ZINC001081334283 776360634 /nfs/dbraw/zinc/36/06/34/776360634.db2.gz LNRJHXYNXMHCMC-DJLDLDEBSA-N 1 2 297.319 -2.638 20 0 CAADLO CO[C@@H]1C[N@H+]([C@@H](C)C(N)=O)C[C@H]1NC(=O)Cn1cnnn1 ZINC001081334283 776360643 /nfs/dbraw/zinc/36/06/43/776360643.db2.gz LNRJHXYNXMHCMC-DJLDLDEBSA-N 1 2 297.319 -2.638 20 0 CAADLO CO[C@@H]1C[N@@H+]([C@H](C)C(N)=O)C[C@H]1NC(=O)Cn1cccn1 ZINC001081363817 776361894 /nfs/dbraw/zinc/36/18/94/776361894.db2.gz DFDAOVIWHONQOY-GMTAPVOTSA-N 1 2 295.343 -1.428 20 0 CAADLO CO[C@@H]1C[N@H+]([C@H](C)C(N)=O)C[C@H]1NC(=O)Cn1cccn1 ZINC001081363817 776361901 /nfs/dbraw/zinc/36/19/01/776361901.db2.gz DFDAOVIWHONQOY-GMTAPVOTSA-N 1 2 295.343 -1.428 20 0 CAADLO CO[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]1NC(=O)c1cn[nH]c1 ZINC001081396016 776365289 /nfs/dbraw/zinc/36/52/89/776365289.db2.gz SYSWPQAWVPBTNP-GHMZBOCLSA-N 1 2 295.343 -1.073 20 0 CAADLO CO[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1NC(=O)c1cn[nH]c1 ZINC001081396016 776365301 /nfs/dbraw/zinc/36/53/01/776365301.db2.gz SYSWPQAWVPBTNP-GHMZBOCLSA-N 1 2 295.343 -1.073 20 0 CAADLO CO[C@@H]1C[N@@H+]([C@@H](C)C(N)=O)C[C@H]1NC(=O)Cc1ccon1 ZINC001081453931 776369231 /nfs/dbraw/zinc/36/92/31/776369231.db2.gz BRHFJMFJVDUIJF-JMJZKYOTSA-N 1 2 296.327 -1.094 20 0 CAADLO CO[C@@H]1C[N@H+]([C@@H](C)C(N)=O)C[C@H]1NC(=O)Cc1ccon1 ZINC001081453931 776369240 /nfs/dbraw/zinc/36/92/40/776369240.db2.gz BRHFJMFJVDUIJF-JMJZKYOTSA-N 1 2 296.327 -1.094 20 0 CAADLO CO[C@@H]1C[N@@H+]([C@H](C)C(N)=O)C[C@H]1NC(=O)Cc1cc[nH]n1 ZINC001081470021 776369321 /nfs/dbraw/zinc/36/93/21/776369321.db2.gz LNDSLPCRZBNDSR-FBIMIBRVSA-N 1 2 295.343 -1.359 20 0 CAADLO CO[C@@H]1C[N@H+]([C@H](C)C(N)=O)C[C@H]1NC(=O)Cc1cc[nH]n1 ZINC001081470021 776369327 /nfs/dbraw/zinc/36/93/27/776369327.db2.gz LNDSLPCRZBNDSR-FBIMIBRVSA-N 1 2 295.343 -1.359 20 0 CAADLO CNC(=O)C[N@@H+]1C[C@@H](NC(=O)Cc2cc[nH]n2)[C@H](OC)C1 ZINC001081469777 776369663 /nfs/dbraw/zinc/36/96/63/776369663.db2.gz CMUOORKDERITNY-GHMZBOCLSA-N 1 2 295.343 -1.486 20 0 CAADLO CNC(=O)C[N@H+]1C[C@@H](NC(=O)Cc2cc[nH]n2)[C@H](OC)C1 ZINC001081469777 776369675 /nfs/dbraw/zinc/36/96/75/776369675.db2.gz CMUOORKDERITNY-GHMZBOCLSA-N 1 2 295.343 -1.486 20 0 CAADLO NC(=O)C(=O)N1C[C@H](O)[C@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001081580957 776375017 /nfs/dbraw/zinc/37/50/17/776375017.db2.gz VFVWVGSLWXKXNM-BDAKNGLRSA-N 1 2 295.299 -2.696 20 0 CAADLO CC(=O)N1C[C@@H](CNC(=O)Cn2cc[nH+]c2)[C@H](O)C1 ZINC001081579977 776375381 /nfs/dbraw/zinc/37/53/81/776375381.db2.gz IIROVAIWRHVZLO-GHMZBOCLSA-N 1 2 266.301 -1.162 20 0 CAADLO COCC(=O)N1C[C@H](O)[C@@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001081578150 776375763 /nfs/dbraw/zinc/37/57/63/776375763.db2.gz XOZCIBQCOIKTAA-QWRGUYRKSA-N 1 2 296.327 -1.535 20 0 CAADLO CO[C@@H]1C[N@H+](CCF)C[C@H]1NC(=O)[C@H]1COC(=O)N1 ZINC001081612602 776378305 /nfs/dbraw/zinc/37/83/05/776378305.db2.gz MPEYFQGMWBPECI-IWSPIJDZSA-N 1 2 275.280 -1.120 20 0 CAADLO CO[C@@H]1C[N@@H+](CCF)C[C@H]1NC(=O)[C@H]1COC(=O)N1 ZINC001081612602 776378316 /nfs/dbraw/zinc/37/83/16/776378316.db2.gz MPEYFQGMWBPECI-IWSPIJDZSA-N 1 2 275.280 -1.120 20 0 CAADLO CO[C@@H]1C[N@@H+]([C@H](C)C(N)=O)C[C@H]1NC(=O)Cn1ncnn1 ZINC001081673348 776380601 /nfs/dbraw/zinc/38/06/01/776380601.db2.gz IZSFVPQWUMTEPN-IWSPIJDZSA-N 1 2 297.319 -2.638 20 0 CAADLO CO[C@@H]1C[N@H+]([C@H](C)C(N)=O)C[C@H]1NC(=O)Cn1ncnn1 ZINC001081673348 776380609 /nfs/dbraw/zinc/38/06/09/776380609.db2.gz IZSFVPQWUMTEPN-IWSPIJDZSA-N 1 2 297.319 -2.638 20 0 CAADLO CC(=O)N1C[C@H](O)[C@@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001081691986 776381113 /nfs/dbraw/zinc/38/11/13/776381113.db2.gz AKFCZHAENQCYJB-UWVGGRQHSA-N 1 2 266.301 -1.092 20 0 CAADLO NC(=O)C(=O)NC[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1O ZINC001081715460 776388662 /nfs/dbraw/zinc/38/86/62/776388662.db2.gz FRLHKWOGCKXKCE-RKDXNWHRSA-N 1 2 295.299 -2.696 20 0 CAADLO NC(=O)C(=O)NC[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1O ZINC001081723025 776391676 /nfs/dbraw/zinc/39/16/76/776391676.db2.gz XWVQIYOYAAYBTC-APPZFPTMSA-N 1 2 295.299 -2.627 20 0 CAADLO NC(=O)C(=O)NC[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1O ZINC001081723030 776391740 /nfs/dbraw/zinc/39/17/40/776391740.db2.gz XWVQIYOYAAYBTC-VXNVDRBHSA-N 1 2 295.299 -2.627 20 0 CAADLO NC(=O)C(=O)N1C[C@H](O)[C@@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001081694750 776392176 /nfs/dbraw/zinc/39/21/76/776392176.db2.gz ANVCLQDHUPMSAL-YUMQZZPRSA-N 1 2 295.299 -2.627 20 0 CAADLO NC(=O)C(=O)N1C[C@@H](O)[C@@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001081694748 776392411 /nfs/dbraw/zinc/39/24/11/776392411.db2.gz ANVCLQDHUPMSAL-JGVFFNPUSA-N 1 2 295.299 -2.627 20 0 CAADLO COCC[N@@H+]1C[C@@H](NC(=O)c2cn[nH]n2)[C@H](OC)C1 ZINC001081881404 776397108 /nfs/dbraw/zinc/39/71/08/776397108.db2.gz UHSYBEANONLSKL-NXEZZACHSA-N 1 2 269.305 -1.120 20 0 CAADLO COCC[N@H+]1C[C@@H](NC(=O)c2cn[nH]n2)[C@H](OC)C1 ZINC001081881404 776397117 /nfs/dbraw/zinc/39/71/17/776397117.db2.gz UHSYBEANONLSKL-NXEZZACHSA-N 1 2 269.305 -1.120 20 0 CAADLO COCC[N@@H+]1C[C@@H](NC(=O)c2cnn[nH]2)[C@H](OC)C1 ZINC001081881404 776397131 /nfs/dbraw/zinc/39/71/31/776397131.db2.gz UHSYBEANONLSKL-NXEZZACHSA-N 1 2 269.305 -1.120 20 0 CAADLO COCC[N@H+]1C[C@@H](NC(=O)c2cnn[nH]2)[C@H](OC)C1 ZINC001081881404 776397142 /nfs/dbraw/zinc/39/71/42/776397142.db2.gz UHSYBEANONLSKL-NXEZZACHSA-N 1 2 269.305 -1.120 20 0 CAADLO CC(=O)N1C[C@H](O)[C@@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001081800980 776397808 /nfs/dbraw/zinc/39/78/08/776397808.db2.gz XJVVZZCOJOADJF-ONGXEEELSA-N 1 2 266.301 -1.092 20 0 CAADLO CO[C@@H]1C[N@@H+]([C@H](C)C(N)=O)C[C@H]1NC(=O)Cc1cnoc1 ZINC001082054025 776402557 /nfs/dbraw/zinc/40/25/57/776402557.db2.gz NECUQGDAYAUBQW-FBIMIBRVSA-N 1 2 296.327 -1.094 20 0 CAADLO CO[C@@H]1C[N@H+]([C@H](C)C(N)=O)C[C@H]1NC(=O)Cc1cnoc1 ZINC001082054025 776402559 /nfs/dbraw/zinc/40/25/59/776402559.db2.gz NECUQGDAYAUBQW-FBIMIBRVSA-N 1 2 296.327 -1.094 20 0 CAADLO CCCOCC(=O)N[C@H]1CC[N@H+](CC(N)=O)C[C@@H]1O ZINC001099731872 776403043 /nfs/dbraw/zinc/40/30/43/776403043.db2.gz FIPZOLOBAPWDCD-UWVGGRQHSA-N 1 2 273.333 -1.550 20 0 CAADLO CCCOCC(=O)N[C@H]1CC[N@@H+](CC(N)=O)C[C@@H]1O ZINC001099731872 776403046 /nfs/dbraw/zinc/40/30/46/776403046.db2.gz FIPZOLOBAPWDCD-UWVGGRQHSA-N 1 2 273.333 -1.550 20 0 CAADLO CNC(=O)C[N@@H+]1C[C@@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)[C@H](OC)C1 ZINC001082039813 776403135 /nfs/dbraw/zinc/40/31/35/776403135.db2.gz JPRXQKSNJJIAGT-TUTUZKQUSA-N 1 2 297.355 -1.560 20 0 CAADLO CNC(=O)C[N@H+]1C[C@@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)[C@H](OC)C1 ZINC001082039813 776403139 /nfs/dbraw/zinc/40/31/39/776403139.db2.gz JPRXQKSNJJIAGT-TUTUZKQUSA-N 1 2 297.355 -1.560 20 0 CAADLO CO[C@@H]1C[N@H+](CCF)C[C@H]1NC(=O)[C@H]1CNC(=O)N1 ZINC001082083475 776403883 /nfs/dbraw/zinc/40/38/83/776403883.db2.gz LXOCNLKOUIAUCM-IWSPIJDZSA-N 1 2 274.296 -1.547 20 0 CAADLO CO[C@@H]1C[N@@H+](CCF)C[C@H]1NC(=O)[C@H]1CNC(=O)N1 ZINC001082083475 776403886 /nfs/dbraw/zinc/40/38/86/776403886.db2.gz LXOCNLKOUIAUCM-IWSPIJDZSA-N 1 2 274.296 -1.547 20 0 CAADLO COCCCCC(=O)N[C@@H]1CC[N@H+](CC(N)=O)C[C@H]1O ZINC001099732767 776403986 /nfs/dbraw/zinc/40/39/86/776403986.db2.gz QFHOSEGCOBFTNO-GHMZBOCLSA-N 1 2 287.360 -1.160 20 0 CAADLO COCCCCC(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C[C@H]1O ZINC001099732767 776403989 /nfs/dbraw/zinc/40/39/89/776403989.db2.gz QFHOSEGCOBFTNO-GHMZBOCLSA-N 1 2 287.360 -1.160 20 0 CAADLO COCCCCC(=O)N[C@@H]1CC[N@H+](CC(N)=O)C[C@@H]1O ZINC001099732768 776404087 /nfs/dbraw/zinc/40/40/87/776404087.db2.gz QFHOSEGCOBFTNO-MNOVXSKESA-N 1 2 287.360 -1.160 20 0 CAADLO COCCCCC(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C[C@@H]1O ZINC001099732768 776404092 /nfs/dbraw/zinc/40/40/92/776404092.db2.gz QFHOSEGCOBFTNO-MNOVXSKESA-N 1 2 287.360 -1.160 20 0 CAADLO CO[C@@H]1CN(Cc2c[nH+]cn2C)C[C@H]1NC(=O)C(N)=O ZINC001082086616 776404116 /nfs/dbraw/zinc/40/41/16/776404116.db2.gz HMEOLAKHMKCEEO-NXEZZACHSA-N 1 2 281.316 -1.779 20 0 CAADLO CO[C@@H]1C[N@@H+]([C@H]2CCCNC2=O)C[C@H]1NC(=O)C(N)=O ZINC001082087710 776404845 /nfs/dbraw/zinc/40/48/45/776404845.db2.gz GPBLJLIGTGMJRD-HRDYMLBCSA-N 1 2 284.316 -2.434 20 0 CAADLO CO[C@@H]1C[N@H+]([C@H]2CCCNC2=O)C[C@H]1NC(=O)C(N)=O ZINC001082087710 776404846 /nfs/dbraw/zinc/40/48/46/776404846.db2.gz GPBLJLIGTGMJRD-HRDYMLBCSA-N 1 2 284.316 -2.434 20 0 CAADLO COCCCCC(=O)N[C@H]1CC[N@H+](CC(N)=O)C[C@@H]1O ZINC001099732769 776404863 /nfs/dbraw/zinc/40/48/63/776404863.db2.gz QFHOSEGCOBFTNO-QWRGUYRKSA-N 1 2 287.360 -1.160 20 0 CAADLO COCCCCC(=O)N[C@H]1CC[N@@H+](CC(N)=O)C[C@@H]1O ZINC001099732769 776404864 /nfs/dbraw/zinc/40/48/64/776404864.db2.gz QFHOSEGCOBFTNO-QWRGUYRKSA-N 1 2 287.360 -1.160 20 0 CAADLO CO[C@@H]1C[N@@H+]([C@@H](C)C(=O)N(C)C)C[C@H]1NC(=O)C(N)=O ZINC001082088872 776405659 /nfs/dbraw/zinc/40/56/59/776405659.db2.gz CCQJNLVPYOOCSF-DJLDLDEBSA-N 1 2 286.332 -2.236 20 0 CAADLO CO[C@@H]1C[N@H+]([C@@H](C)C(=O)N(C)C)C[C@H]1NC(=O)C(N)=O ZINC001082088872 776405665 /nfs/dbraw/zinc/40/56/65/776405665.db2.gz CCQJNLVPYOOCSF-DJLDLDEBSA-N 1 2 286.332 -2.236 20 0 CAADLO CO[C@@H]1C[N@H+](CCF)C[C@H]1NC(=O)[C@H]1C[C@H]1C(N)=O ZINC001082140301 776406937 /nfs/dbraw/zinc/40/69/37/776406937.db2.gz UZUGZPTXQMTGGU-UTINFBMNSA-N 1 2 273.308 -1.107 20 0 CAADLO CO[C@@H]1C[N@@H+](CCF)C[C@H]1NC(=O)[C@H]1C[C@H]1C(N)=O ZINC001082140301 776406945 /nfs/dbraw/zinc/40/69/45/776406945.db2.gz UZUGZPTXQMTGGU-UTINFBMNSA-N 1 2 273.308 -1.107 20 0 CAADLO NC(=O)C(=O)NC[C@@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001082148472 776407241 /nfs/dbraw/zinc/40/72/41/776407241.db2.gz XZPSZTSIJPMUKJ-JTQLQIEISA-N 1 2 293.327 -1.134 20 0 CAADLO NC(=O)C(=O)N1CCCC[C@H]1CNC(=O)Cc1c[nH]c[nH+]1 ZINC001082263361 776410993 /nfs/dbraw/zinc/41/09/93/776410993.db2.gz CFQMPJCVLUDWBB-JTQLQIEISA-N 1 2 293.327 -1.065 20 0 CAADLO NC(=O)C(=O)NC[C@@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001082320493 776411338 /nfs/dbraw/zinc/41/13/38/776411338.db2.gz WNCOULVJJUHNGD-JTQLQIEISA-N 1 2 293.327 -1.065 20 0 CAADLO COCC[N@H+]1C[C@@H](NC(=O)Cc2nnc[nH]2)[C@@H](O)C1 ZINC001083935824 776417183 /nfs/dbraw/zinc/41/71/83/776417183.db2.gz OJRNCYXWONYMPV-BDAKNGLRSA-N 1 2 269.305 -1.845 20 0 CAADLO COCC[N@@H+]1C[C@@H](NC(=O)Cc2nnc[nH]2)[C@@H](O)C1 ZINC001083935824 776417187 /nfs/dbraw/zinc/41/71/87/776417187.db2.gz OJRNCYXWONYMPV-BDAKNGLRSA-N 1 2 269.305 -1.845 20 0 CAADLO CNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)Cc2nc[nH]n2)[C@@H](O)C1 ZINC001083935904 776417651 /nfs/dbraw/zinc/41/76/51/776417651.db2.gz SSUKYWFDCUYRIV-YIZRAAEISA-N 1 2 296.331 -2.357 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)Cc2nc[nH]n2)[C@@H](O)C1 ZINC001083935904 776417654 /nfs/dbraw/zinc/41/76/54/776417654.db2.gz SSUKYWFDCUYRIV-YIZRAAEISA-N 1 2 296.331 -2.357 20 0 CAADLO CCCCOCC(=O)N[C@H]1CC[N@H+](CC(N)=O)C[C@H]1O ZINC001099755759 776418622 /nfs/dbraw/zinc/41/86/22/776418622.db2.gz RMUHEUIKCQXLRZ-WDEREUQCSA-N 1 2 287.360 -1.160 20 0 CAADLO CCCCOCC(=O)N[C@H]1CC[N@@H+](CC(N)=O)C[C@H]1O ZINC001099755759 776418626 /nfs/dbraw/zinc/41/86/26/776418626.db2.gz RMUHEUIKCQXLRZ-WDEREUQCSA-N 1 2 287.360 -1.160 20 0 CAADLO Cc1conc1C[N@@H+]1CC[C@@H](NC(=O)CC(N)=O)[C@@H](O)C1 ZINC001099760094 776419725 /nfs/dbraw/zinc/41/97/25/776419725.db2.gz DJESLJFOXOZQMC-KOLCDFICSA-N 1 2 296.327 -1.090 20 0 CAADLO Cc1conc1C[N@H+]1CC[C@@H](NC(=O)CC(N)=O)[C@@H](O)C1 ZINC001099760094 776419731 /nfs/dbraw/zinc/41/97/31/776419731.db2.gz DJESLJFOXOZQMC-KOLCDFICSA-N 1 2 296.327 -1.090 20 0 CAADLO Cc1conc1C[N@@H+]1CC[C@H](NC(=O)CC(N)=O)[C@@H](O)C1 ZINC001099760096 776420123 /nfs/dbraw/zinc/42/01/23/776420123.db2.gz DJESLJFOXOZQMC-ONGXEEELSA-N 1 2 296.327 -1.090 20 0 CAADLO Cc1conc1C[N@H+]1CC[C@H](NC(=O)CC(N)=O)[C@@H](O)C1 ZINC001099760096 776420130 /nfs/dbraw/zinc/42/01/30/776420130.db2.gz DJESLJFOXOZQMC-ONGXEEELSA-N 1 2 296.327 -1.090 20 0 CAADLO C[C@@H]([NH2+][C@@H]1CN(C(=O)Cc2ncn[nH]2)C[C@H]1C)C(N)=O ZINC001082851080 776423885 /nfs/dbraw/zinc/42/38/85/776423885.db2.gz NFOVYRHSHAGGNO-IWSPIJDZSA-N 1 2 280.332 -1.343 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)CCc2nnc[nH]2)[C@@H](O)C1 ZINC001099764300 776424184 /nfs/dbraw/zinc/42/41/84/776424184.db2.gz SYENPLNIAFAFQS-IUCAKERBSA-N 1 2 296.331 -2.226 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)CCc2nnc[nH]2)[C@@H](O)C1 ZINC001099764300 776424190 /nfs/dbraw/zinc/42/41/90/776424190.db2.gz SYENPLNIAFAFQS-IUCAKERBSA-N 1 2 296.331 -2.226 20 0 CAADLO CCOCCNC(=O)Cn1cc(C[N@H+](C)CCO)nn1 ZINC001119280335 776426637 /nfs/dbraw/zinc/42/66/37/776426637.db2.gz RRBUHHJKEAOVKF-UHFFFAOYSA-N 1 2 285.348 -1.145 20 0 CAADLO CCOCCNC(=O)Cn1cc(C[N@@H+](C)CCO)nn1 ZINC001119280335 776426643 /nfs/dbraw/zinc/42/66/43/776426643.db2.gz RRBUHHJKEAOVKF-UHFFFAOYSA-N 1 2 285.348 -1.145 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+]1C[C@H]2OCCN(C(=O)COC)[C@H]2C1 ZINC001082969300 776426694 /nfs/dbraw/zinc/42/66/94/776426694.db2.gz NGCQSABGJIHVQQ-OUAUKWLOSA-N 1 2 285.344 -1.321 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+]1C[C@H]2OCCN(C(=O)COC)[C@H]2C1 ZINC001082969300 776426699 /nfs/dbraw/zinc/42/66/99/776426699.db2.gz NGCQSABGJIHVQQ-OUAUKWLOSA-N 1 2 285.344 -1.321 20 0 CAADLO O=C(N[C@H]1CC[N@@H+](CCF)C[C@H]1O)c1cn[nH]n1 ZINC001090389283 776426968 /nfs/dbraw/zinc/42/69/68/776426968.db2.gz WDLVIPNUQMKNFC-IONNQARKSA-N 1 2 257.269 -1.061 20 0 CAADLO O=C(N[C@H]1CC[N@H+](CCF)C[C@H]1O)c1cn[nH]n1 ZINC001090389283 776426974 /nfs/dbraw/zinc/42/69/74/776426974.db2.gz WDLVIPNUQMKNFC-IONNQARKSA-N 1 2 257.269 -1.061 20 0 CAADLO O=C(C[N@H+]1C[C@H](CO)[C@H](CO)C1)Nc1cnccn1 ZINC001119263884 776427129 /nfs/dbraw/zinc/42/71/29/776427129.db2.gz QRYTXYCTYPAVSW-AOOOYVTPSA-N 1 2 266.301 -1.052 20 0 CAADLO O=C(C[N@@H+]1C[C@H](CO)[C@H](CO)C1)Nc1cnccn1 ZINC001119263884 776427133 /nfs/dbraw/zinc/42/71/33/776427133.db2.gz QRYTXYCTYPAVSW-AOOOYVTPSA-N 1 2 266.301 -1.052 20 0 CAADLO Cn1nnnc1CC[N@@H+]1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC001119306280 776428505 /nfs/dbraw/zinc/42/85/05/776428505.db2.gz NNHCEFTVNWFMMQ-QMMMGPOBSA-N 1 2 279.304 -2.605 20 0 CAADLO Cn1nnnc1CC[N@H+]1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC001119306280 776428508 /nfs/dbraw/zinc/42/85/08/776428508.db2.gz NNHCEFTVNWFMMQ-QMMMGPOBSA-N 1 2 279.304 -2.605 20 0 CAADLO NC(=O)CC(=O)N1CCO[C@@H]2C[N@H+](CCF)C[C@@H]21 ZINC001083030356 776429021 /nfs/dbraw/zinc/42/90/21/776429021.db2.gz ICUFPEJJRADMJJ-DTWKUNHWSA-N 1 2 259.281 -1.257 20 0 CAADLO NC(=O)CC(=O)N1CCO[C@@H]2C[N@@H+](CCF)C[C@@H]21 ZINC001083030356 776429029 /nfs/dbraw/zinc/42/90/29/776429029.db2.gz ICUFPEJJRADMJJ-DTWKUNHWSA-N 1 2 259.281 -1.257 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+]1C[C@H]2OCCN(C(=O)CC(N)=O)[C@H]2C1 ZINC001083030826 776429899 /nfs/dbraw/zinc/42/98/99/776429899.db2.gz FKXWRERZUOJFEY-KXUCPTDWSA-N 1 2 298.343 -2.092 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+]1C[C@H]2OCCN(C(=O)CC(N)=O)[C@H]2C1 ZINC001083030826 776429901 /nfs/dbraw/zinc/42/99/01/776429901.db2.gz FKXWRERZUOJFEY-KXUCPTDWSA-N 1 2 298.343 -2.092 20 0 CAADLO CN(C)C(=O)C[N@@H+]1C[C@H]2OCCN(C(=O)CC(N)=O)[C@H]2C1 ZINC001083030300 776430036 /nfs/dbraw/zinc/43/00/36/776430036.db2.gz FPHCCJNULHCCKP-VHSXEESVSA-N 1 2 298.343 -2.138 20 0 CAADLO CN(C)C(=O)C[N@H+]1C[C@H]2OCCN(C(=O)CC(N)=O)[C@H]2C1 ZINC001083030300 776430038 /nfs/dbraw/zinc/43/00/38/776430038.db2.gz FPHCCJNULHCCKP-VHSXEESVSA-N 1 2 298.343 -2.138 20 0 CAADLO Cn1c[nH+]cc1CN1C[C@H]2OCCN(C(=O)C(N)=O)[C@H]2C1 ZINC001083179106 776434379 /nfs/dbraw/zinc/43/43/79/776434379.db2.gz GKMWPQWQLDRPMB-WDEREUQCSA-N 1 2 293.327 -1.683 20 0 CAADLO NC(=O)C(=O)N1CCO[C@@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@@H]21 ZINC001083179305 776436285 /nfs/dbraw/zinc/43/62/85/776436285.db2.gz PEPNVXBIYUGCKW-XHNCKOQMSA-N 1 2 282.300 -2.728 20 0 CAADLO NC(=O)C(=O)N1CCO[C@@H]2C[N@H+]([C@H]3CCNC3=O)C[C@@H]21 ZINC001083179305 776436290 /nfs/dbraw/zinc/43/62/90/776436290.db2.gz PEPNVXBIYUGCKW-XHNCKOQMSA-N 1 2 282.300 -2.728 20 0 CAADLO CC(C)(C)C(=O)N[C@@H]1C[N@@H+]([C@@H]2CCC(=O)NC2=O)C[C@@H]1O ZINC001083979450 776437350 /nfs/dbraw/zinc/43/73/50/776437350.db2.gz AFAUNAGCKNYIFJ-BBBLOLIVSA-N 1 2 297.355 -1.001 20 0 CAADLO CC(C)(C)C(=O)N[C@@H]1C[N@H+]([C@@H]2CCC(=O)NC2=O)C[C@@H]1O ZINC001083979450 776437351 /nfs/dbraw/zinc/43/73/51/776437351.db2.gz AFAUNAGCKNYIFJ-BBBLOLIVSA-N 1 2 297.355 -1.001 20 0 CAADLO O=C(Cc1nnc[nH]1)N[C@@H]1C[N@H+](CCO)C[C@@H]1O ZINC001083936384 776437828 /nfs/dbraw/zinc/43/78/28/776437828.db2.gz LGRLDHWVNVODEO-SFYZADRCSA-N 1 2 255.278 -2.499 20 0 CAADLO O=C(Cc1nnc[nH]1)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001083936384 776437836 /nfs/dbraw/zinc/43/78/36/776437836.db2.gz LGRLDHWVNVODEO-SFYZADRCSA-N 1 2 255.278 -2.499 20 0 CAADLO C[C@H](C(N)=O)N1C[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@@H](O)C1 ZINC001083954235 776438580 /nfs/dbraw/zinc/43/85/80/776438580.db2.gz QPGXJJLCGVDPAM-IEBDPFPHSA-N 1 2 295.343 -2.002 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)Cn2cncn2)[C@@H](O)C1 ZINC001084033381 776441220 /nfs/dbraw/zinc/44/12/20/776441220.db2.gz RRJRQXCWNOEMKY-HLTSFMKQSA-N 1 2 282.304 -2.687 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)Cn2cncn2)[C@@H](O)C1 ZINC001084033381 776441228 /nfs/dbraw/zinc/44/12/28/776441228.db2.gz RRJRQXCWNOEMKY-HLTSFMKQSA-N 1 2 282.304 -2.687 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)Cc2ccc[nH]2)[C@@H](O)C1 ZINC001084078812 776443648 /nfs/dbraw/zinc/44/36/48/776443648.db2.gz JOQBPXRUJKVTJI-GDPRMGEGSA-N 1 2 280.328 -1.408 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)Cc2ccc[nH]2)[C@@H](O)C1 ZINC001084078812 776443651 /nfs/dbraw/zinc/44/36/51/776443651.db2.gz JOQBPXRUJKVTJI-GDPRMGEGSA-N 1 2 280.328 -1.408 20 0 CAADLO O=C(Cn1ccccc1=O)N[C@@H]1C[N@@H+](CCF)C[C@@H]1O ZINC001084043695 776443920 /nfs/dbraw/zinc/44/39/20/776443920.db2.gz BMWXLWPMUYZFBM-MNOVXSKESA-N 1 2 283.303 -1.021 20 0 CAADLO O=C(Cn1ccccc1=O)N[C@@H]1C[N@H+](CCF)C[C@@H]1O ZINC001084043695 776443925 /nfs/dbraw/zinc/44/39/25/776443925.db2.gz BMWXLWPMUYZFBM-MNOVXSKESA-N 1 2 283.303 -1.021 20 0 CAADLO CNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)Cc2ccc[nH]2)[C@@H](O)C1 ZINC001084078802 776444314 /nfs/dbraw/zinc/44/43/14/776444314.db2.gz JAIYTBGVUAWACM-WCQGTBRESA-N 1 2 294.355 -1.147 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)Cc2ccc[nH]2)[C@@H](O)C1 ZINC001084078802 776444321 /nfs/dbraw/zinc/44/43/21/776444321.db2.gz JAIYTBGVUAWACM-WCQGTBRESA-N 1 2 294.355 -1.147 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)Cc2ccc[nH]2)[C@@H](O)C1 ZINC001084078801 776444379 /nfs/dbraw/zinc/44/43/79/776444379.db2.gz JAIYTBGVUAWACM-JLLWLGSASA-N 1 2 294.355 -1.147 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)Cc2ccc[nH]2)[C@@H](O)C1 ZINC001084078801 776444388 /nfs/dbraw/zinc/44/43/88/776444388.db2.gz JAIYTBGVUAWACM-JLLWLGSASA-N 1 2 294.355 -1.147 20 0 CAADLO CC[C@@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)c2ccn(C)n2)[C@@H](O)C1 ZINC001084056209 776445608 /nfs/dbraw/zinc/44/56/08/776445608.db2.gz WVVYESXMGGKKBJ-VWYCJHECSA-N 1 2 295.343 -1.541 20 0 CAADLO CC[C@@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)c2ccn(C)n2)[C@@H](O)C1 ZINC001084056209 776445613 /nfs/dbraw/zinc/44/56/13/776445613.db2.gz WVVYESXMGGKKBJ-VWYCJHECSA-N 1 2 295.343 -1.541 20 0 CAADLO CNC(=O)[C@H](C)N1C[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H](O)C1 ZINC001084115305 776446675 /nfs/dbraw/zinc/44/66/75/776446675.db2.gz GVNYKZVMUVGVRB-AXFHLTTASA-N 1 2 295.343 -1.821 20 0 CAADLO O=C(Cn1cc[nH+]c1)N[C@@H]1CN([C@@H]2CCNC2=O)C[C@@H]1O ZINC001084115749 776447405 /nfs/dbraw/zinc/44/74/05/776447405.db2.gz DKJNQNJLILMRFK-MXWKQRLJSA-N 1 2 293.327 -2.067 20 0 CAADLO CNC(=O)[C@@H](C)N1C[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H](O)C1 ZINC001084115306 776447628 /nfs/dbraw/zinc/44/76/28/776447628.db2.gz GVNYKZVMUVGVRB-MXWKQRLJSA-N 1 2 295.343 -1.821 20 0 CAADLO CN1C[C@@H](C(=O)N[C@@H]2C[N@H+](CCF)C[C@@H]2O)CCC1=O ZINC001084093761 776448831 /nfs/dbraw/zinc/44/88/31/776448831.db2.gz CPQVRCJLOYAORE-AXFHLTTASA-N 1 2 287.335 -1.014 20 0 CAADLO CN1C[C@@H](C(=O)N[C@@H]2C[N@@H+](CCF)C[C@@H]2O)CCC1=O ZINC001084093761 776448835 /nfs/dbraw/zinc/44/88/35/776448835.db2.gz CPQVRCJLOYAORE-AXFHLTTASA-N 1 2 287.335 -1.014 20 0 CAADLO CC[C@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)c2[nH]cnc2C)[C@@H](O)C1 ZINC001084125313 776448916 /nfs/dbraw/zinc/44/89/16/776448916.db2.gz AUEGELVDTSDGEL-BBBLOLIVSA-N 1 2 295.343 -1.243 20 0 CAADLO CC[C@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)c2[nH]cnc2C)[C@@H](O)C1 ZINC001084125313 776448919 /nfs/dbraw/zinc/44/89/19/776448919.db2.gz AUEGELVDTSDGEL-BBBLOLIVSA-N 1 2 295.343 -1.243 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)CN3CCCC3=O)[C@@H]2C1 ZINC001084180334 776449960 /nfs/dbraw/zinc/44/99/60/776449960.db2.gz YMSLBMAILGYFFS-GHMZBOCLSA-N 1 2 294.355 -1.373 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)CN3CCCC3=O)[C@@H]2C1 ZINC001084180334 776449965 /nfs/dbraw/zinc/44/99/65/776449965.db2.gz YMSLBMAILGYFFS-GHMZBOCLSA-N 1 2 294.355 -1.373 20 0 CAADLO O=C(C[C@H]1CC(=O)NC1=O)N[C@@H]1C[N@@H+](CCF)C[C@@H]1O ZINC001084129777 776449984 /nfs/dbraw/zinc/44/99/84/776449984.db2.gz ZJSRGODWXUIVBJ-YIZRAAEISA-N 1 2 287.291 -1.830 20 0 CAADLO O=C(C[C@H]1CC(=O)NC1=O)N[C@@H]1C[N@H+](CCF)C[C@@H]1O ZINC001084129777 776449993 /nfs/dbraw/zinc/44/99/93/776449993.db2.gz ZJSRGODWXUIVBJ-YIZRAAEISA-N 1 2 287.291 -1.830 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)Cn3cnnn3)[C@@H]2C1 ZINC001084178436 776450036 /nfs/dbraw/zinc/45/00/36/776450036.db2.gz LEEQKCCCZYEXCB-RKDXNWHRSA-N 1 2 279.304 -2.309 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)Cn3cnnn3)[C@@H]2C1 ZINC001084178436 776450039 /nfs/dbraw/zinc/45/00/39/776450039.db2.gz LEEQKCCCZYEXCB-RKDXNWHRSA-N 1 2 279.304 -2.309 20 0 CAADLO O=C(C[C@@H]1CC(=O)NC1=O)N[C@@H]1C[N@@H+](CCF)C[C@@H]1O ZINC001084129776 776450183 /nfs/dbraw/zinc/45/01/83/776450183.db2.gz ZJSRGODWXUIVBJ-HLTSFMKQSA-N 1 2 287.291 -1.830 20 0 CAADLO O=C(C[C@@H]1CC(=O)NC1=O)N[C@@H]1C[N@H+](CCF)C[C@@H]1O ZINC001084129776 776450187 /nfs/dbraw/zinc/45/01/87/776450187.db2.gz ZJSRGODWXUIVBJ-HLTSFMKQSA-N 1 2 287.291 -1.830 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3COCCO3)[C@@H]2C1 ZINC001084202765 776450252 /nfs/dbraw/zinc/45/02/52/776450252.db2.gz XPHLLECVFMLPIC-IJLUTSLNSA-N 1 2 297.355 -1.320 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3COCCO3)[C@@H]2C1 ZINC001084202765 776450257 /nfs/dbraw/zinc/45/02/57/776450257.db2.gz XPHLLECVFMLPIC-IJLUTSLNSA-N 1 2 297.355 -1.320 20 0 CAADLO CC(=O)N1C[C@H]2CC[N@H+](CC(=O)N3CCNC(=O)C3)C[C@H]21 ZINC001084136631 776450501 /nfs/dbraw/zinc/45/05/01/776450501.db2.gz GFKBZYYULPQLRV-VXGBXAGGSA-N 1 2 294.355 -1.503 20 0 CAADLO CC(=O)N1C[C@H]2CC[N@@H+](CC(=O)N3CCNC(=O)C3)C[C@H]21 ZINC001084136631 776450502 /nfs/dbraw/zinc/45/05/02/776450502.db2.gz GFKBZYYULPQLRV-VXGBXAGGSA-N 1 2 294.355 -1.503 20 0 CAADLO Cn1ncc(C(=O)N2C[C@H]3CC[N@H+](CC(N)=O)C[C@H]32)c1N ZINC001084297053 776451691 /nfs/dbraw/zinc/45/16/91/776451691.db2.gz LEAPYWPQJBVHSW-PSASIEDQSA-N 1 2 292.343 -1.366 20 0 CAADLO Cn1ncc(C(=O)N2C[C@H]3CC[N@@H+](CC(N)=O)C[C@H]32)c1N ZINC001084297053 776451695 /nfs/dbraw/zinc/45/16/95/776451695.db2.gz LEAPYWPQJBVHSW-PSASIEDQSA-N 1 2 292.343 -1.366 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCNC(=O)C3)[C@@H]2C1 ZINC001084276491 776451864 /nfs/dbraw/zinc/45/18/64/776451864.db2.gz DGTZWRJTPLICDL-HBNTYKKESA-N 1 2 294.355 -1.469 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCNC(=O)C3)[C@@H]2C1 ZINC001084276491 776451867 /nfs/dbraw/zinc/45/18/67/776451867.db2.gz DGTZWRJTPLICDL-HBNTYKKESA-N 1 2 294.355 -1.469 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC(=O)N3)[C@@H]2C1 ZINC001084234284 776451940 /nfs/dbraw/zinc/45/19/40/776451940.db2.gz HCMKUFWTGBHRAC-GMTAPVOTSA-N 1 2 294.355 -1.456 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC(=O)N3)[C@@H]2C1 ZINC001084234284 776451943 /nfs/dbraw/zinc/45/19/43/776451943.db2.gz HCMKUFWTGBHRAC-GMTAPVOTSA-N 1 2 294.355 -1.456 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)c3ncn(C)n3)[C@@H]2C1 ZINC001084323925 776451958 /nfs/dbraw/zinc/45/19/58/776451958.db2.gz ITJORTJZFQHWHN-NXEZZACHSA-N 1 2 292.343 -1.293 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)c3ncn(C)n3)[C@@H]2C1 ZINC001084323925 776451962 /nfs/dbraw/zinc/45/19/62/776451962.db2.gz ITJORTJZFQHWHN-NXEZZACHSA-N 1 2 292.343 -1.293 20 0 CAADLO Cn1oc(C(=O)N2C[C@H]3CC[N@H+](CC(N)=O)C[C@H]32)cc1=O ZINC001084308236 776451974 /nfs/dbraw/zinc/45/19/74/776451974.db2.gz LRVBMOHVGTXUAL-RKDXNWHRSA-N 1 2 294.311 -1.390 20 0 CAADLO Cn1oc(C(=O)N2C[C@H]3CC[N@@H+](CC(N)=O)C[C@H]32)cc1=O ZINC001084308236 776451978 /nfs/dbraw/zinc/45/19/78/776451978.db2.gz LRVBMOHVGTXUAL-RKDXNWHRSA-N 1 2 294.311 -1.390 20 0 CAADLO CN1CCOC[C@@H]1C(=O)N1C[C@H]2CC[N@H+](CC(N)=O)C[C@H]21 ZINC001084293144 776452273 /nfs/dbraw/zinc/45/22/73/776452273.db2.gz YTWOROADPFQSQM-IJLUTSLNSA-N 1 2 296.371 -1.665 20 0 CAADLO CN1CCOC[C@@H]1C(=O)N1C[C@H]2CC[N@@H+](CC(N)=O)C[C@H]21 ZINC001084293144 776452275 /nfs/dbraw/zinc/45/22/75/776452275.db2.gz YTWOROADPFQSQM-IJLUTSLNSA-N 1 2 296.371 -1.665 20 0 CAADLO Cn1cc(CC(=O)N2C[C@H]3CC[N@H+](CC(N)=O)C[C@H]32)cn1 ZINC001084227851 776452595 /nfs/dbraw/zinc/45/25/95/776452595.db2.gz PZEXEJNUMWUCTF-VXGBXAGGSA-N 1 2 291.355 -1.019 20 0 CAADLO Cn1cc(CC(=O)N2C[C@H]3CC[N@@H+](CC(N)=O)C[C@H]32)cn1 ZINC001084227851 776452597 /nfs/dbraw/zinc/45/25/97/776452597.db2.gz PZEXEJNUMWUCTF-VXGBXAGGSA-N 1 2 291.355 -1.019 20 0 CAADLO Cc1nnc(CC(=O)N2C[C@H]3CC[N@H+](CC(N)=O)C[C@H]32)o1 ZINC001084324359 776452615 /nfs/dbraw/zinc/45/26/15/776452615.db2.gz AWTVXIQLUSMZDF-NXEZZACHSA-N 1 2 293.327 -1.061 20 0 CAADLO Cc1nnc(CC(=O)N2C[C@H]3CC[N@@H+](CC(N)=O)C[C@H]32)o1 ZINC001084324359 776452620 /nfs/dbraw/zinc/45/26/20/776452620.db2.gz AWTVXIQLUSMZDF-NXEZZACHSA-N 1 2 293.327 -1.061 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)c3cn[nH]c(=O)c3)[C@@H]2C1 ZINC001084431852 776453249 /nfs/dbraw/zinc/45/32/49/776453249.db2.gz SQNFLFMREBNXIJ-PSASIEDQSA-N 1 2 291.311 -1.186 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)c3cn[nH]c(=O)c3)[C@@H]2C1 ZINC001084431852 776453256 /nfs/dbraw/zinc/45/32/56/776453256.db2.gz SQNFLFMREBNXIJ-PSASIEDQSA-N 1 2 291.311 -1.186 20 0 CAADLO CN1C[C@H](C(=O)N2C[C@H]3CC[N@H+](CC(N)=O)C[C@H]32)CC1=O ZINC001084385477 776453421 /nfs/dbraw/zinc/45/34/21/776453421.db2.gz HYDFYRWPMUWSBI-GMTAPVOTSA-N 1 2 294.355 -1.517 20 0 CAADLO CN1C[C@H](C(=O)N2C[C@H]3CC[N@@H+](CC(N)=O)C[C@H]32)CC1=O ZINC001084385477 776453429 /nfs/dbraw/zinc/45/34/29/776453429.db2.gz HYDFYRWPMUWSBI-GMTAPVOTSA-N 1 2 294.355 -1.517 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CC[C@@H]2CN(C(=O)c3cn[nH]n3)[C@@H]2C1 ZINC001084479454 776453529 /nfs/dbraw/zinc/45/35/29/776453529.db2.gz IEQPMQQXRBCYPW-NQMVMOMDSA-N 1 2 278.316 -1.175 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CC[C@@H]2CN(C(=O)c3cn[nH]n3)[C@@H]2C1 ZINC001084479454 776453533 /nfs/dbraw/zinc/45/35/33/776453533.db2.gz IEQPMQQXRBCYPW-NQMVMOMDSA-N 1 2 278.316 -1.175 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)C(N)=O)[C@@H]2C1 ZINC001084426741 776453677 /nfs/dbraw/zinc/45/36/77/776453677.db2.gz NOSAHOMVROGIIM-IVZWLZJFSA-N 1 2 296.371 -1.096 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)C(N)=O)[C@@H]2C1 ZINC001084426741 776453683 /nfs/dbraw/zinc/45/36/83/776453683.db2.gz NOSAHOMVROGIIM-IVZWLZJFSA-N 1 2 296.371 -1.096 20 0 CAADLO CN1C[C@@H](C(=O)N2C[C@H]3CC[N@H+](CC(N)=O)C[C@H]32)CC1=O ZINC001084385478 776453806 /nfs/dbraw/zinc/45/38/06/776453806.db2.gz HYDFYRWPMUWSBI-OUAUKWLOSA-N 1 2 294.355 -1.517 20 0 CAADLO CN1C[C@@H](C(=O)N2C[C@H]3CC[N@@H+](CC(N)=O)C[C@H]32)CC1=O ZINC001084385478 776453807 /nfs/dbraw/zinc/45/38/07/776453807.db2.gz HYDFYRWPMUWSBI-OUAUKWLOSA-N 1 2 294.355 -1.517 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)C(N)=O)[C@@H]2C1 ZINC001084426742 776453961 /nfs/dbraw/zinc/45/39/61/776453961.db2.gz NOSAHOMVROGIIM-OPRDCNLKSA-N 1 2 296.371 -1.096 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)C(N)=O)[C@@H]2C1 ZINC001084426742 776453965 /nfs/dbraw/zinc/45/39/65/776453965.db2.gz NOSAHOMVROGIIM-OPRDCNLKSA-N 1 2 296.371 -1.096 20 0 CAADLO CN1CC[C@@H](C(=O)N2C[C@H]3CC[N@H+](CC(N)=O)C[C@H]32)C1=O ZINC001084589911 776455019 /nfs/dbraw/zinc/45/50/19/776455019.db2.gz UGFCIOWTLUVFBT-GMTAPVOTSA-N 1 2 294.355 -1.517 20 0 CAADLO CN1CC[C@@H](C(=O)N2C[C@H]3CC[N@@H+](CC(N)=O)C[C@H]32)C1=O ZINC001084589911 776455020 /nfs/dbraw/zinc/45/50/20/776455020.db2.gz UGFCIOWTLUVFBT-GMTAPVOTSA-N 1 2 294.355 -1.517 20 0 CAADLO CN1CC[C@H](C(=O)N2C[C@H]3CC[N@H+](CC(N)=O)C[C@H]32)C1=O ZINC001084589912 776455039 /nfs/dbraw/zinc/45/50/39/776455039.db2.gz UGFCIOWTLUVFBT-OUAUKWLOSA-N 1 2 294.355 -1.517 20 0 CAADLO CN1CC[C@H](C(=O)N2C[C@H]3CC[N@@H+](CC(N)=O)C[C@H]32)C1=O ZINC001084589912 776455041 /nfs/dbraw/zinc/45/50/41/776455041.db2.gz UGFCIOWTLUVFBT-OUAUKWLOSA-N 1 2 294.355 -1.517 20 0 CAADLO C[C@@]1(C(=O)N2C[C@H]3CC[N@H+](CC(N)=O)C[C@H]32)CNC(=O)C1 ZINC001084541598 776455071 /nfs/dbraw/zinc/45/50/71/776455071.db2.gz VFSGAYZCUNZZNV-RULNRJAQSA-N 1 2 294.355 -1.469 20 0 CAADLO C[C@@]1(C(=O)N2C[C@H]3CC[N@@H+](CC(N)=O)C[C@H]32)CNC(=O)C1 ZINC001084541598 776455074 /nfs/dbraw/zinc/45/50/74/776455074.db2.gz VFSGAYZCUNZZNV-RULNRJAQSA-N 1 2 294.355 -1.469 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)c3c[nH]c(=O)cn3)[C@@H]2C1 ZINC001084615756 776455329 /nfs/dbraw/zinc/45/53/29/776455329.db2.gz KKOCDDUBVMSZEE-PSASIEDQSA-N 1 2 291.311 -1.599 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)c3c[nH]c(=O)cn3)[C@@H]2C1 ZINC001084615756 776455338 /nfs/dbraw/zinc/45/53/38/776455338.db2.gz KKOCDDUBVMSZEE-PSASIEDQSA-N 1 2 291.311 -1.599 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)c3nnn(C)n3)[C@@H]2C1 ZINC001084587239 776455355 /nfs/dbraw/zinc/45/53/55/776455355.db2.gz SZCDJAZELGZGQR-RKDXNWHRSA-N 1 2 293.331 -1.898 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)c3nnn(C)n3)[C@@H]2C1 ZINC001084587239 776455367 /nfs/dbraw/zinc/45/53/67/776455367.db2.gz SZCDJAZELGZGQR-RKDXNWHRSA-N 1 2 293.331 -1.898 20 0 CAADLO CN(C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C(N)=O)[C@@H]2C1)C1CC1 ZINC001084622221 776455551 /nfs/dbraw/zinc/45/55/51/776455551.db2.gz NRYGEYLVWNIYJW-MWLCHTKSSA-N 1 2 294.355 -1.375 20 0 CAADLO CN(C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C(N)=O)[C@@H]2C1)C1CC1 ZINC001084622221 776455559 /nfs/dbraw/zinc/45/55/59/776455559.db2.gz NRYGEYLVWNIYJW-MWLCHTKSSA-N 1 2 294.355 -1.375 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CNC(=O)N3)[C@@H]2C1 ZINC001084621255 776455827 /nfs/dbraw/zinc/45/58/27/776455827.db2.gz GEVQQPGUCBHHAU-HRDYMLBCSA-N 1 2 281.316 -2.314 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CNC(=O)N3)[C@@H]2C1 ZINC001084621255 776455830 /nfs/dbraw/zinc/45/58/30/776455830.db2.gz GEVQQPGUCBHHAU-HRDYMLBCSA-N 1 2 281.316 -2.314 20 0 CAADLO NC(=O)C(=O)N1C[C@H]2CC[N@H+](CC(=O)NC3CC3)C[C@H]21 ZINC001084622196 776455971 /nfs/dbraw/zinc/45/59/71/776455971.db2.gz MSZDDXRMLOIZLR-PSASIEDQSA-N 1 2 280.328 -1.717 20 0 CAADLO NC(=O)C(=O)N1C[C@H]2CC[N@@H+](CC(=O)NC3CC3)C[C@H]21 ZINC001084622196 776455977 /nfs/dbraw/zinc/45/59/77/776455977.db2.gz MSZDDXRMLOIZLR-PSASIEDQSA-N 1 2 280.328 -1.717 20 0 CAADLO CN(C)C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C(N)=O)[C@@H]2C1 ZINC001084621901 776456042 /nfs/dbraw/zinc/45/60/42/776456042.db2.gz CSGXUXUSIBWMJK-RKDXNWHRSA-N 1 2 268.317 -1.907 20 0 CAADLO CN(C)C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C(N)=O)[C@@H]2C1 ZINC001084621901 776456050 /nfs/dbraw/zinc/45/60/50/776456050.db2.gz CSGXUXUSIBWMJK-RKDXNWHRSA-N 1 2 268.317 -1.907 20 0 CAADLO Cn1c[nH+]cc1CN1CC[C@@H]2CN(C(=O)C(N)=O)[C@@H]2C1 ZINC001084622329 776456977 /nfs/dbraw/zinc/45/69/77/776456977.db2.gz SNGVDWGLVKQZQJ-MWLCHTKSSA-N 1 2 277.328 -1.062 20 0 CAADLO Cn1cncc1C[N@@H+]1CC[C@@H]2CN(C(=O)C(N)=O)[C@@H]2C1 ZINC001084622329 776456982 /nfs/dbraw/zinc/45/69/82/776456982.db2.gz SNGVDWGLVKQZQJ-MWLCHTKSSA-N 1 2 277.328 -1.062 20 0 CAADLO Cn1cncc1C[N@H+]1CC[C@@H]2CN(C(=O)C(N)=O)[C@@H]2C1 ZINC001084622329 776456988 /nfs/dbraw/zinc/45/69/88/776456988.db2.gz SNGVDWGLVKQZQJ-MWLCHTKSSA-N 1 2 277.328 -1.062 20 0 CAADLO CN1CC[C@@H]([N@@H+]2CC[C@@H]3CN(C(=O)C(N)=O)[C@@H]3C2)C1=O ZINC001084624240 776457070 /nfs/dbraw/zinc/45/70/70/776457070.db2.gz JIFXAWOAUYZWSE-OPRDCNLKSA-N 1 2 280.328 -1.765 20 0 CAADLO CN1CC[C@@H]([N@H+]2CC[C@@H]3CN(C(=O)C(N)=O)[C@@H]3C2)C1=O ZINC001084624240 776457078 /nfs/dbraw/zinc/45/70/78/776457078.db2.gz JIFXAWOAUYZWSE-OPRDCNLKSA-N 1 2 280.328 -1.765 20 0 CAADLO Cc1nnccc1C(=O)N[C@@H]1CC[N@H+](CC(N)=O)C[C@@H]1O ZINC001090399640 776457183 /nfs/dbraw/zinc/45/71/83/776457183.db2.gz OOCZTURYYSZODQ-MNOVXSKESA-N 1 2 293.327 -1.565 20 0 CAADLO Cc1nnccc1C(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C[C@@H]1O ZINC001090399640 776457187 /nfs/dbraw/zinc/45/71/87/776457187.db2.gz OOCZTURYYSZODQ-MNOVXSKESA-N 1 2 293.327 -1.565 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CC(C)(C)O)[C@H](O)C1 ZINC001099809654 776457347 /nfs/dbraw/zinc/45/73/47/776457347.db2.gz KWSQQJQKOJEXNI-NXEZZACHSA-N 1 2 287.360 -1.555 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)CC(C)(C)O)[C@H](O)C1 ZINC001099809654 776457349 /nfs/dbraw/zinc/45/73/49/776457349.db2.gz KWSQQJQKOJEXNI-NXEZZACHSA-N 1 2 287.360 -1.555 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C3(C(N)=O)CC3)[C@@H]2C1 ZINC001084624836 776457426 /nfs/dbraw/zinc/45/74/26/776457426.db2.gz BMMCEVVIWLAEOW-NXEZZACHSA-N 1 2 294.355 -1.469 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C3(C(N)=O)CC3)[C@@H]2C1 ZINC001084624836 776457430 /nfs/dbraw/zinc/45/74/30/776457430.db2.gz BMMCEVVIWLAEOW-NXEZZACHSA-N 1 2 294.355 -1.469 20 0 CAADLO C[C@@H](C(=O)NC1CC1)[N@@H+]1CC[C@@H]2CN(C(=O)C(N)=O)[C@@H]2C1 ZINC001084626425 776457450 /nfs/dbraw/zinc/45/74/50/776457450.db2.gz OXIWQNFBWVTFHV-IQJOONFLSA-N 1 2 294.355 -1.329 20 0 CAADLO C[C@@H](C(=O)NC1CC1)[N@H+]1CC[C@@H]2CN(C(=O)C(N)=O)[C@@H]2C1 ZINC001084626425 776457452 /nfs/dbraw/zinc/45/74/52/776457452.db2.gz OXIWQNFBWVTFHV-IQJOONFLSA-N 1 2 294.355 -1.329 20 0 CAADLO CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ncc[nH]2)[C@@H](O)C1 ZINC001099810465 776457473 /nfs/dbraw/zinc/45/74/73/776457473.db2.gz RGAFQAJCZYYTHV-ZJUUUORDSA-N 1 2 295.343 -1.289 20 0 CAADLO CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2ncc[nH]2)[C@@H](O)C1 ZINC001099810465 776457476 /nfs/dbraw/zinc/45/74/76/776457476.db2.gz RGAFQAJCZYYTHV-ZJUUUORDSA-N 1 2 295.343 -1.289 20 0 CAADLO CC[C@@H](C(N)=O)[N@@H+]1CC[C@@H]2CN(C(=O)C(N)=O)[C@@H]2C1 ZINC001084624670 776457842 /nfs/dbraw/zinc/45/78/42/776457842.db2.gz ZUOHNUAQEDYEFI-HRDYMLBCSA-N 1 2 268.317 -1.732 20 0 CAADLO CC[C@@H](C(N)=O)[N@H+]1CC[C@@H]2CN(C(=O)C(N)=O)[C@@H]2C1 ZINC001084624670 776457845 /nfs/dbraw/zinc/45/78/45/776457845.db2.gz ZUOHNUAQEDYEFI-HRDYMLBCSA-N 1 2 268.317 -1.732 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CC[C@@H]2CN(C(=O)c3nc[nH]n3)[C@@H]2C1 ZINC001084729277 776458786 /nfs/dbraw/zinc/45/87/86/776458786.db2.gz WJRLASSLNFQRMP-DJLDLDEBSA-N 1 2 278.316 -1.175 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CC[C@@H]2CN(C(=O)c3nc[nH]n3)[C@@H]2C1 ZINC001084729277 776458791 /nfs/dbraw/zinc/45/87/91/776458791.db2.gz WJRLASSLNFQRMP-DJLDLDEBSA-N 1 2 278.316 -1.175 20 0 CAADLO Cc1nnccc1C(=O)N[C@H]1CC[N@H+](CC(N)=O)C[C@H]1O ZINC001090399645 776459028 /nfs/dbraw/zinc/45/90/28/776459028.db2.gz OOCZTURYYSZODQ-WDEREUQCSA-N 1 2 293.327 -1.565 20 0 CAADLO Cc1nnccc1C(=O)N[C@H]1CC[N@@H+](CC(N)=O)C[C@H]1O ZINC001090399645 776459032 /nfs/dbraw/zinc/45/90/32/776459032.db2.gz OOCZTURYYSZODQ-WDEREUQCSA-N 1 2 293.327 -1.565 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CC2(O)CCC2)[C@@H](O)C1 ZINC001099824493 776459259 /nfs/dbraw/zinc/45/92/59/776459259.db2.gz UJVRCSFSIXSEPP-MNOVXSKESA-N 1 2 299.371 -1.411 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)CC2(O)CCC2)[C@@H](O)C1 ZINC001099824493 776459266 /nfs/dbraw/zinc/45/92/66/776459266.db2.gz UJVRCSFSIXSEPP-MNOVXSKESA-N 1 2 299.371 -1.411 20 0 CAADLO CN(CC[NH+]1CCOCC1)C(=O)CCn1cnnn1 ZINC001119563155 776459375 /nfs/dbraw/zinc/45/93/75/776459375.db2.gz CRXMEINOTUSWKW-UHFFFAOYSA-N 1 2 268.321 -1.146 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C[C@H]3CCC(=O)N3)[C@@H]2C1 ZINC001084717746 776459456 /nfs/dbraw/zinc/45/94/56/776459456.db2.gz IJEWBIPHODDJEJ-GMTAPVOTSA-N 1 2 294.355 -1.327 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C[C@H]3CCC(=O)N3)[C@@H]2C1 ZINC001084717746 776459458 /nfs/dbraw/zinc/45/94/58/776459458.db2.gz IJEWBIPHODDJEJ-GMTAPVOTSA-N 1 2 294.355 -1.327 20 0 CAADLO O=C(Cc1c[nH]c[nH+]1)NCC(=O)N1CCOCC1 ZINC001119533191 776459478 /nfs/dbraw/zinc/45/94/78/776459478.db2.gz RJLMBSPBQHQRKH-UHFFFAOYSA-N 1 2 252.274 -1.073 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)CC2(O)CCC2)[C@H](O)C1 ZINC001099824495 776459614 /nfs/dbraw/zinc/45/96/14/776459614.db2.gz UJVRCSFSIXSEPP-WDEREUQCSA-N 1 2 299.371 -1.411 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)CC2(O)CCC2)[C@H](O)C1 ZINC001099824495 776459619 /nfs/dbraw/zinc/45/96/19/776459619.db2.gz UJVRCSFSIXSEPP-WDEREUQCSA-N 1 2 299.371 -1.411 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)Cc3nnc[nH]3)[C@@H]2C1 ZINC001084763453 776460213 /nfs/dbraw/zinc/46/02/13/776460213.db2.gz NNQISBZFUMCAPK-NXEZZACHSA-N 1 2 292.343 -1.374 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)Cc3nnc[nH]3)[C@@H]2C1 ZINC001084763453 776460222 /nfs/dbraw/zinc/46/02/22/776460222.db2.gz NNQISBZFUMCAPK-NXEZZACHSA-N 1 2 292.343 -1.374 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)Cn3cncn3)[C@@H]2C1 ZINC001084813420 776460858 /nfs/dbraw/zinc/46/08/58/776460858.db2.gz COTQKWPJODQWBH-GHMZBOCLSA-N 1 2 292.343 -1.443 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)Cn3cncn3)[C@@H]2C1 ZINC001084813420 776460863 /nfs/dbraw/zinc/46/08/63/776460863.db2.gz COTQKWPJODQWBH-GHMZBOCLSA-N 1 2 292.343 -1.443 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC(=O)N3)[C@@H]2C1 ZINC001084785410 776461335 /nfs/dbraw/zinc/46/13/35/776461335.db2.gz HCMKUFWTGBHRAC-OUAUKWLOSA-N 1 2 294.355 -1.456 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC(=O)N3)[C@@H]2C1 ZINC001084785410 776461338 /nfs/dbraw/zinc/46/13/38/776461338.db2.gz HCMKUFWTGBHRAC-OUAUKWLOSA-N 1 2 294.355 -1.456 20 0 CAADLO Cn1cncc1C(=O)N[C@H]1CC[N@H+](CC(N)=O)C[C@H]1O ZINC001090401540 776461434 /nfs/dbraw/zinc/46/14/34/776461434.db2.gz CHDZENXHLXYZER-WCBMZHEXSA-N 1 2 281.316 -1.930 20 0 CAADLO Cn1cncc1C(=O)N[C@H]1CC[N@@H+](CC(N)=O)C[C@H]1O ZINC001090401540 776461436 /nfs/dbraw/zinc/46/14/36/776461436.db2.gz CHDZENXHLXYZER-WCBMZHEXSA-N 1 2 281.316 -1.930 20 0 CAADLO C[C@@H](O)C(=O)N1CC[NH+](C[C@@H]2COCCO2)CC1 ZINC000820621461 776463854 /nfs/dbraw/zinc/46/38/54/776463854.db2.gz JRCPCWRCTOZSGE-GHMZBOCLSA-N 1 2 258.318 -1.073 20 0 CAADLO C/C(=C/C(=O)N1CCO[C@H](C(N)=O)C1)C[NH+]1CCOCC1 ZINC000820540334 776464306 /nfs/dbraw/zinc/46/43/06/776464306.db2.gz JMFDMDUUJKZYOU-KGTBHZDVSA-N 1 2 297.355 -1.022 20 0 CAADLO COC(=O)NCC(=O)N(C)C[C@H]1CC[N@@H+]1[C@@H](C)C(N)=O ZINC001230915882 776465673 /nfs/dbraw/zinc/46/56/73/776465673.db2.gz JPXGCXOQZGTGPG-DTWKUNHWSA-N 1 2 286.332 -1.251 20 0 CAADLO COC(=O)NCC(=O)N(C)C[C@H]1CC[N@H+]1[C@@H](C)C(N)=O ZINC001230915882 776465676 /nfs/dbraw/zinc/46/56/76/776465676.db2.gz JPXGCXOQZGTGPG-DTWKUNHWSA-N 1 2 286.332 -1.251 20 0 CAADLO COC(=O)NCC(=O)N(C)C[C@H]1CC[N@@H+]1[C@H](C)C(N)=O ZINC001230915884 776465731 /nfs/dbraw/zinc/46/57/31/776465731.db2.gz JPXGCXOQZGTGPG-RKDXNWHRSA-N 1 2 286.332 -1.251 20 0 CAADLO COC(=O)NCC(=O)N(C)C[C@H]1CC[N@H+]1[C@H](C)C(N)=O ZINC001230915884 776465733 /nfs/dbraw/zinc/46/57/33/776465733.db2.gz JPXGCXOQZGTGPG-RKDXNWHRSA-N 1 2 286.332 -1.251 20 0 CAADLO COC(=O)NCC(=O)N(C)C[C@@H]1CC[N@@H+]1[C@H](C)C(N)=O ZINC001230915881 776465918 /nfs/dbraw/zinc/46/59/18/776465918.db2.gz JPXGCXOQZGTGPG-BDAKNGLRSA-N 1 2 286.332 -1.251 20 0 CAADLO COC(=O)NCC(=O)N(C)C[C@@H]1CC[N@H+]1[C@H](C)C(N)=O ZINC001230915881 776465920 /nfs/dbraw/zinc/46/59/20/776465920.db2.gz JPXGCXOQZGTGPG-BDAKNGLRSA-N 1 2 286.332 -1.251 20 0 CAADLO C[C@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1OCCN(C)C1=O ZINC000821777754 776466058 /nfs/dbraw/zinc/46/60/58/776466058.db2.gz BYEIJFFTWZAZED-MNOVXSKESA-N 1 2 285.344 -1.320 20 0 CAADLO COCC(=O)NC[C@H]1CN(C(=O)Cn2cc[nH+]c2)CCO1 ZINC001065304599 776471362 /nfs/dbraw/zinc/47/13/62/776471362.db2.gz AQUVABLUVATVJQ-NSHDSACASA-N 1 2 296.327 -1.127 20 0 CAADLO NC(=O)C(=O)NC[C@H]1CN(C(=O)Cn2cc[nH+]c2)CCO1 ZINC001065305456 776471665 /nfs/dbraw/zinc/47/16/65/776471665.db2.gz NLHIRKFZKBNNKN-VIFPVBQESA-N 1 2 295.299 -2.288 20 0 CAADLO COCC(=O)NC[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CCO1 ZINC001065520877 776472791 /nfs/dbraw/zinc/47/27/91/776472791.db2.gz DXYYLRMXGXVAQX-SNVBAGLBSA-N 1 2 296.327 -1.058 20 0 CAADLO NC(=O)C(=O)NC[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CCO1 ZINC001065522185 776473276 /nfs/dbraw/zinc/47/32/76/776473276.db2.gz SVGCTRPVBMRDFZ-MRVPVSSYSA-N 1 2 295.299 -2.219 20 0 CAADLO NC(=O)C(=O)NC[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CCO1 ZINC001065671463 776477746 /nfs/dbraw/zinc/47/77/46/776477746.db2.gz FDIHZOVCLSWIKN-SECBINFHSA-N 1 2 295.299 -2.219 20 0 CAADLO CC(=O)N1CC[NH+]([C@H]2CCN(C(=O)CNC(N)=O)C2)CC1 ZINC001065686048 776477954 /nfs/dbraw/zinc/47/79/54/776477954.db2.gz LEIWZRRQVYMSJX-NSHDSACASA-N 1 2 297.359 -1.580 20 0 CAADLO NC(=O)C(=O)NC[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CCO1 ZINC001065671464 776477969 /nfs/dbraw/zinc/47/79/69/776477969.db2.gz FDIHZOVCLSWIKN-VIFPVBQESA-N 1 2 295.299 -2.219 20 0 CAADLO CC(=O)NCC(=O)N1CC[C@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001065683054 776478032 /nfs/dbraw/zinc/47/80/32/776478032.db2.gz SDHMRFUKXYXQPZ-ZDUSSCGKSA-N 1 2 296.371 -1.113 20 0 CAADLO CNC(=O)CC(=O)N1CC[C@@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001065701583 776478084 /nfs/dbraw/zinc/47/80/84/776478084.db2.gz XYCDDQRWNHDESW-GFCCVEGCSA-N 1 2 296.371 -1.113 20 0 CAADLO CNC(=O)CC(=O)N1CC[NH+]([C@H]2CCN(C(C)=O)C2)CC1 ZINC001065681189 776478102 /nfs/dbraw/zinc/47/81/02/776478102.db2.gz QZQXGMMXVQIYMX-LBPRGKRZSA-N 1 2 296.371 -1.113 20 0 CAADLO Cn1[nH]c(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)C(N)=O)nc1=O ZINC001085316371 776480713 /nfs/dbraw/zinc/48/07/13/776480713.db2.gz FKKABSCVVGOXAN-HTQZYQBOSA-N 1 2 296.331 -1.889 20 0 CAADLO CN(CCNC(=O)CC(N)=O)c1[nH+]cnc2c1cnn2C ZINC001099970758 776482031 /nfs/dbraw/zinc/48/20/31/776482031.db2.gz IKGPDCGYNFJAAT-UHFFFAOYSA-N 1 2 291.315 -1.209 20 0 CAADLO NC(=O)NC(=O)C[N@@H+]1CC[C@@H](NC(=O)C(N)=O)[C@@H](O)C1 ZINC001099972657 776482675 /nfs/dbraw/zinc/48/26/75/776482675.db2.gz ZXRLWWJKQNDRHJ-RITPCOANSA-N 1 2 287.276 -3.782 20 0 CAADLO NC(=O)NC(=O)C[N@H+]1CC[C@@H](NC(=O)C(N)=O)[C@@H](O)C1 ZINC001099972657 776482682 /nfs/dbraw/zinc/48/26/82/776482682.db2.gz ZXRLWWJKQNDRHJ-RITPCOANSA-N 1 2 287.276 -3.782 20 0 CAADLO Cn1nnc(C[NH2+]CCCNC(=O)[C@@H]2COCCO2)n1 ZINC001154859012 776483700 /nfs/dbraw/zinc/48/37/00/776483700.db2.gz UITOVXYKBDPIFJ-VIFPVBQESA-N 1 2 284.320 -1.779 20 0 CAADLO Cn1nnc(C[NH2+]CCCNC(=O)[C@H]2COCCO2)n1 ZINC001154859011 776483985 /nfs/dbraw/zinc/48/39/85/776483985.db2.gz UITOVXYKBDPIFJ-SECBINFHSA-N 1 2 284.320 -1.779 20 0 CAADLO O=C(CN1CCNC(=O)C1)NCCCn1cc[nH+]c1 ZINC000827836063 776485356 /nfs/dbraw/zinc/48/53/56/776485356.db2.gz YFSFFDZBQVFIIO-UHFFFAOYSA-N 1 2 265.317 -1.179 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)C2(C(N)=O)CC2)[C@@H](O)C1 ZINC001099982198 776486172 /nfs/dbraw/zinc/48/61/72/776486172.db2.gz YZUILXQYFXJKPG-SFYZADRCSA-N 1 2 284.316 -2.711 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)C2(C(N)=O)CC2)[C@@H](O)C1 ZINC001099982198 776486176 /nfs/dbraw/zinc/48/61/76/776486176.db2.gz YZUILXQYFXJKPG-SFYZADRCSA-N 1 2 284.316 -2.711 20 0 CAADLO O=C([C@H]1COC(=O)N1)N1CC[NH2+][C@@H](c2cn[nH]c2)C1 ZINC000828323284 776486314 /nfs/dbraw/zinc/48/63/14/776486314.db2.gz DYLHTILHMQFUIZ-RKDXNWHRSA-N 1 2 265.273 -1.009 20 0 CAADLO CN(C)C(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCC(=O)N1 ZINC001085519176 776487259 /nfs/dbraw/zinc/48/72/59/776487259.db2.gz KEWZSQRAJRTLBO-GHMZBOCLSA-N 1 2 296.371 -1.114 20 0 CAADLO CN(C)C(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCC(=O)N1 ZINC001085519176 776487260 /nfs/dbraw/zinc/48/72/60/776487260.db2.gz KEWZSQRAJRTLBO-GHMZBOCLSA-N 1 2 296.371 -1.114 20 0 CAADLO O=C([C@@H]1COC(=O)N1)N1CC[NH2+][C@H](c2cn[nH]c2)C1 ZINC000828323283 776487269 /nfs/dbraw/zinc/48/72/69/776487269.db2.gz DYLHTILHMQFUIZ-IUCAKERBSA-N 1 2 265.273 -1.009 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)C2(C(N)=O)CC2)[C@H](O)C1 ZINC001099982196 776487271 /nfs/dbraw/zinc/48/72/71/776487271.db2.gz YZUILXQYFXJKPG-HTQZYQBOSA-N 1 2 284.316 -2.711 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)C2(C(N)=O)CC2)[C@H](O)C1 ZINC001099982196 776487274 /nfs/dbraw/zinc/48/72/74/776487274.db2.gz YZUILXQYFXJKPG-HTQZYQBOSA-N 1 2 284.316 -2.711 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)C1CN(C(C)=O)C1 ZINC001085563872 776488720 /nfs/dbraw/zinc/48/87/20/776488720.db2.gz YHLIQZBKKZKHDW-GFCCVEGCSA-N 1 2 296.371 -1.257 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)C1CN(C(C)=O)C1 ZINC001085563872 776488722 /nfs/dbraw/zinc/48/87/22/776488722.db2.gz YHLIQZBKKZKHDW-GFCCVEGCSA-N 1 2 296.371 -1.257 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCCNC1=O ZINC001085652865 776489857 /nfs/dbraw/zinc/48/98/57/776489857.db2.gz HLLACUIRXPURTI-QWRGUYRKSA-N 1 2 296.371 -1.209 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCCNC1=O ZINC001085652865 776489860 /nfs/dbraw/zinc/48/98/60/776489860.db2.gz HLLACUIRXPURTI-QWRGUYRKSA-N 1 2 296.371 -1.209 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCCNC1=O ZINC001085652864 776490004 /nfs/dbraw/zinc/49/00/04/776490004.db2.gz HLLACUIRXPURTI-MNOVXSKESA-N 1 2 296.371 -1.209 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCCNC1=O ZINC001085652864 776490007 /nfs/dbraw/zinc/49/00/07/776490007.db2.gz HLLACUIRXPURTI-MNOVXSKESA-N 1 2 296.371 -1.209 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CC(=O)N(C)C1 ZINC001085626836 776490248 /nfs/dbraw/zinc/49/02/48/776490248.db2.gz UJGCAWGGPUIGOC-WDEREUQCSA-N 1 2 296.371 -1.257 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CC(=O)N(C)C1 ZINC001085626836 776490256 /nfs/dbraw/zinc/49/02/56/776490256.db2.gz UJGCAWGGPUIGOC-WDEREUQCSA-N 1 2 296.371 -1.257 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CC(=O)N(C)C1 ZINC001085626835 776490448 /nfs/dbraw/zinc/49/04/48/776490448.db2.gz UJGCAWGGPUIGOC-QWRGUYRKSA-N 1 2 296.371 -1.257 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CC(=O)N(C)C1 ZINC001085626835 776490451 /nfs/dbraw/zinc/49/04/51/776490451.db2.gz UJGCAWGGPUIGOC-QWRGUYRKSA-N 1 2 296.371 -1.257 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCC(=O)NC1 ZINC001085686991 776491622 /nfs/dbraw/zinc/49/16/22/776491622.db2.gz FQGFHBSQXHQRAB-GHMZBOCLSA-N 1 2 296.371 -1.209 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCC(=O)NC1 ZINC001085686991 776491625 /nfs/dbraw/zinc/49/16/25/776491625.db2.gz FQGFHBSQXHQRAB-GHMZBOCLSA-N 1 2 296.371 -1.209 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCC(=O)NC1 ZINC001085686992 776491676 /nfs/dbraw/zinc/49/16/76/776491676.db2.gz FQGFHBSQXHQRAB-MNOVXSKESA-N 1 2 296.371 -1.209 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCC(=O)NC1 ZINC001085686992 776491678 /nfs/dbraw/zinc/49/16/78/776491678.db2.gz FQGFHBSQXHQRAB-MNOVXSKESA-N 1 2 296.371 -1.209 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCN(C)C1=O ZINC001085770098 776492633 /nfs/dbraw/zinc/49/26/33/776492633.db2.gz YMMOIRSRTFIXTJ-GHMZBOCLSA-N 1 2 296.371 -1.257 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCN(C)C1=O ZINC001085770098 776492635 /nfs/dbraw/zinc/49/26/35/776492635.db2.gz YMMOIRSRTFIXTJ-GHMZBOCLSA-N 1 2 296.371 -1.257 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCN(C)C1=O ZINC001085770099 776492672 /nfs/dbraw/zinc/49/26/72/776492672.db2.gz YMMOIRSRTFIXTJ-MNOVXSKESA-N 1 2 296.371 -1.257 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCN(C)C1=O ZINC001085770099 776492676 /nfs/dbraw/zinc/49/26/76/776492676.db2.gz YMMOIRSRTFIXTJ-MNOVXSKESA-N 1 2 296.371 -1.257 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCNC1=O ZINC001085763160 776492798 /nfs/dbraw/zinc/49/27/98/776492798.db2.gz WZLJTUWRSZOLCD-NXEZZACHSA-N 1 2 282.344 -1.599 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCNC1=O ZINC001085763160 776492802 /nfs/dbraw/zinc/49/28/02/776492802.db2.gz WZLJTUWRSZOLCD-NXEZZACHSA-N 1 2 282.344 -1.599 20 0 CAADLO CC[C@H](C(N)=O)[N@@H+]1CC[C@H]1CN(C)C(=O)c1nnn(C)n1 ZINC001085771903 776492814 /nfs/dbraw/zinc/49/28/14/776492814.db2.gz MKUPEWGVIKCFOU-DTWKUNHWSA-N 1 2 295.347 -1.380 20 0 CAADLO CC[C@H](C(N)=O)[N@H+]1CC[C@H]1CN(C)C(=O)c1nnn(C)n1 ZINC001085771903 776492818 /nfs/dbraw/zinc/49/28/18/776492818.db2.gz MKUPEWGVIKCFOU-DTWKUNHWSA-N 1 2 295.347 -1.380 20 0 CAADLO CC[C@@H](C(N)=O)[N@@H+]1CC[C@@H]1CN(C)C(=O)c1nnn(C)n1 ZINC001085771902 776492828 /nfs/dbraw/zinc/49/28/28/776492828.db2.gz MKUPEWGVIKCFOU-BDAKNGLRSA-N 1 2 295.347 -1.380 20 0 CAADLO CC[C@@H](C(N)=O)[N@H+]1CC[C@@H]1CN(C)C(=O)c1nnn(C)n1 ZINC001085771902 776492832 /nfs/dbraw/zinc/49/28/32/776492832.db2.gz MKUPEWGVIKCFOU-BDAKNGLRSA-N 1 2 295.347 -1.380 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCNC1=O ZINC001085763162 776492945 /nfs/dbraw/zinc/49/29/45/776492945.db2.gz WZLJTUWRSZOLCD-VHSXEESVSA-N 1 2 282.344 -1.599 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCNC1=O ZINC001085763162 776492942 /nfs/dbraw/zinc/49/29/42/776492942.db2.gz WZLJTUWRSZOLCD-VHSXEESVSA-N 1 2 282.344 -1.599 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)c1c[nH]c(=O)cn1 ZINC001085788774 776493189 /nfs/dbraw/zinc/49/31/89/776493189.db2.gz RRDTUDVIAFRULD-SECBINFHSA-N 1 2 293.327 -1.338 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)c1c[nH]c(=O)cn1 ZINC001085788774 776493192 /nfs/dbraw/zinc/49/31/92/776493192.db2.gz RRDTUDVIAFRULD-SECBINFHSA-N 1 2 293.327 -1.338 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CC[C@@H]1CN(C)C(=O)c1c[nH]c(=O)cn1 ZINC001085788289 776493267 /nfs/dbraw/zinc/49/32/67/776493267.db2.gz HQPRASXNJJWJNO-DTWKUNHWSA-N 1 2 293.327 -1.210 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CC[C@@H]1CN(C)C(=O)c1c[nH]c(=O)cn1 ZINC001085788289 776493270 /nfs/dbraw/zinc/49/32/70/776493270.db2.gz HQPRASXNJJWJNO-DTWKUNHWSA-N 1 2 293.327 -1.210 20 0 CAADLO CN(C)C(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CNC(=O)N1 ZINC001085794236 776494542 /nfs/dbraw/zinc/49/45/42/776494542.db2.gz WESNEMUFNXRQCG-NXEZZACHSA-N 1 2 297.359 -1.711 20 0 CAADLO CN(C)C(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CNC(=O)N1 ZINC001085794236 776494545 /nfs/dbraw/zinc/49/45/45/776494545.db2.gz WESNEMUFNXRQCG-NXEZZACHSA-N 1 2 297.359 -1.711 20 0 CAADLO O=C(CCc1cnn[nH]1)N[C@H]1CC[N@@H+](CCO)C[C@@H]1O ZINC001100011573 776495748 /nfs/dbraw/zinc/49/57/48/776495748.db2.gz REJWWKYOFQGKPC-QWRGUYRKSA-N 1 2 283.332 -1.719 20 0 CAADLO O=C(CCc1cnn[nH]1)N[C@H]1CC[N@H+](CCO)C[C@@H]1O ZINC001100011573 776495751 /nfs/dbraw/zinc/49/57/51/776495751.db2.gz REJWWKYOFQGKPC-QWRGUYRKSA-N 1 2 283.332 -1.719 20 0 CAADLO Cn1nnc(C[NH2+]CCCNC(=O)c2cnsn2)n1 ZINC001155089113 776495785 /nfs/dbraw/zinc/49/57/85/776495785.db2.gz BTBXGGCAXYWVHF-UHFFFAOYSA-N 1 2 282.333 -1.029 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cncn2C)[C@@H](O)C1 ZINC001090403927 776499781 /nfs/dbraw/zinc/49/97/81/776499781.db2.gz QHRMRNIAVYONFD-KOLCDFICSA-N 1 2 295.343 -1.669 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cncn2C)[C@@H](O)C1 ZINC001090403927 776499783 /nfs/dbraw/zinc/49/97/83/776499783.db2.gz QHRMRNIAVYONFD-KOLCDFICSA-N 1 2 295.343 -1.669 20 0 CAADLO CNC(=O)C1(C(=O)N[C@@H]2CC[N@H+](CC(N)=O)C[C@@H]2O)CC1 ZINC001100033858 776501298 /nfs/dbraw/zinc/50/12/98/776501298.db2.gz MDAWCFXBUIUFPJ-BDAKNGLRSA-N 1 2 298.343 -2.451 20 0 CAADLO CNC(=O)C1(C(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C[C@@H]2O)CC1 ZINC001100033858 776501303 /nfs/dbraw/zinc/50/13/03/776501303.db2.gz MDAWCFXBUIUFPJ-BDAKNGLRSA-N 1 2 298.343 -2.451 20 0 CAADLO C[C@@]1(CNC(=O)Cc2c[nH]c[nH+]2)CN(CC(N)=O)CCO1 ZINC001108244931 776501367 /nfs/dbraw/zinc/50/13/67/776501367.db2.gz PPICVJFYAKGERY-CYBMUJFWSA-N 1 2 295.343 -1.355 20 0 CAADLO C[C@]1(CNC(=O)Cc2c[nH]c[nH+]2)CN(CC(N)=O)CCO1 ZINC001108244933 776501467 /nfs/dbraw/zinc/50/14/67/776501467.db2.gz PPICVJFYAKGERY-ZDUSSCGKSA-N 1 2 295.343 -1.355 20 0 CAADLO O=C(N[C@H]1CC[N@@H+](CCOCCO)C[C@H]1O)c1nc[nH]n1 ZINC001100039038 776502538 /nfs/dbraw/zinc/50/25/38/776502538.db2.gz OGMWRENROPGRAE-VHSXEESVSA-N 1 2 299.331 -2.021 20 0 CAADLO O=C(N[C@H]1CC[N@H+](CCOCCO)C[C@H]1O)c1nc[nH]n1 ZINC001100039038 776502544 /nfs/dbraw/zinc/50/25/44/776502544.db2.gz OGMWRENROPGRAE-VHSXEESVSA-N 1 2 299.331 -2.021 20 0 CAADLO CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cnon2)[C@@H](O)C1 ZINC001100041284 776503296 /nfs/dbraw/zinc/50/32/96/776503296.db2.gz GWOABWZSYVLBAM-WPRPVWTQSA-N 1 2 297.315 -1.629 20 0 CAADLO CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cnon2)[C@@H](O)C1 ZINC001100041284 776503301 /nfs/dbraw/zinc/50/33/01/776503301.db2.gz GWOABWZSYVLBAM-WPRPVWTQSA-N 1 2 297.315 -1.629 20 0 CAADLO CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cnon2)[C@H](O)C1 ZINC001100041281 776503884 /nfs/dbraw/zinc/50/38/84/776503884.db2.gz GWOABWZSYVLBAM-PSASIEDQSA-N 1 2 297.315 -1.629 20 0 CAADLO CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cnon2)[C@H](O)C1 ZINC001100041281 776503888 /nfs/dbraw/zinc/50/38/88/776503888.db2.gz GWOABWZSYVLBAM-PSASIEDQSA-N 1 2 297.315 -1.629 20 0 CAADLO Cn1nnnc1C[NH2+][C@H]1C[C@@H](CNC(=O)c2nnc[nH]2)C1 ZINC001086228268 776505054 /nfs/dbraw/zinc/50/50/54/776505054.db2.gz DVXXBLGGPUGNKB-OCAPTIKFSA-N 1 2 291.319 -1.374 20 0 CAADLO Cn1nnnc1C[NH2+][C@H]1C[C@@H](CNC(=O)c2ncn[nH]2)C1 ZINC001086228268 776505062 /nfs/dbraw/zinc/50/50/62/776505062.db2.gz DVXXBLGGPUGNKB-OCAPTIKFSA-N 1 2 291.319 -1.374 20 0 CAADLO Cn1nnnc1C[NH2+][C@H]1C[C@@H](CNC(=O)c2nc[nH]n2)C1 ZINC001086228268 776505069 /nfs/dbraw/zinc/50/50/69/776505069.db2.gz DVXXBLGGPUGNKB-OCAPTIKFSA-N 1 2 291.319 -1.374 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)C(=O)NCC2CC2)[C@H](O)C1 ZINC001100056598 776505331 /nfs/dbraw/zinc/50/53/31/776505331.db2.gz WTXHGOPIVGAHEY-VHSXEESVSA-N 1 2 298.343 -2.451 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)C(=O)NCC2CC2)[C@H](O)C1 ZINC001100056598 776505338 /nfs/dbraw/zinc/50/53/38/776505338.db2.gz WTXHGOPIVGAHEY-VHSXEESVSA-N 1 2 298.343 -2.451 20 0 CAADLO Cn1nnc(C[NH2+][C@H]2C[C@@H](CNC(=O)c3cnon3)C2)n1 ZINC001086229819 776505487 /nfs/dbraw/zinc/50/54/87/776505487.db2.gz FNNPOGKEYHUTEI-OCAPTIKFSA-N 1 2 292.303 -1.109 20 0 CAADLO Cn1ncc(C(=O)NC[C@@]2(C)C[N@H+](CCO)CCO2)n1 ZINC001108278197 776510500 /nfs/dbraw/zinc/51/05/00/776510500.db2.gz IUWVRVZLVOTNNU-LBPRGKRZSA-N 1 2 283.332 -1.372 20 0 CAADLO Cn1ncc(C(=O)NC[C@@]2(C)C[N@@H+](CCO)CCO2)n1 ZINC001108278197 776510505 /nfs/dbraw/zinc/51/05/05/776510505.db2.gz IUWVRVZLVOTNNU-LBPRGKRZSA-N 1 2 283.332 -1.372 20 0 CAADLO CC[N@H+](CC(=O)NC(N)=O)[C@H](C)CNC(=O)c1nnc[nH]1 ZINC001155904832 776512189 /nfs/dbraw/zinc/51/21/89/776512189.db2.gz BFBPVMWENVRGCQ-SSDOTTSWSA-N 1 2 297.319 -1.560 20 0 CAADLO CC[N@@H+](CC(=O)NC(N)=O)[C@H](C)CNC(=O)c1nnc[nH]1 ZINC001155904832 776512190 /nfs/dbraw/zinc/51/21/90/776512190.db2.gz BFBPVMWENVRGCQ-SSDOTTSWSA-N 1 2 297.319 -1.560 20 0 CAADLO CC[N@H+](CC(=O)NC(N)=O)[C@H](C)CNC(=O)c1ncn[nH]1 ZINC001155904832 776512191 /nfs/dbraw/zinc/51/21/91/776512191.db2.gz BFBPVMWENVRGCQ-SSDOTTSWSA-N 1 2 297.319 -1.560 20 0 CAADLO CC[N@@H+](CC(=O)NC(N)=O)[C@H](C)CNC(=O)c1ncn[nH]1 ZINC001155904832 776512192 /nfs/dbraw/zinc/51/21/92/776512192.db2.gz BFBPVMWENVRGCQ-SSDOTTSWSA-N 1 2 297.319 -1.560 20 0 CAADLO CC[N@H+](CC(=O)NC(N)=O)[C@H](C)CNC(=O)c1nc[nH]n1 ZINC001155904832 776512194 /nfs/dbraw/zinc/51/21/94/776512194.db2.gz BFBPVMWENVRGCQ-SSDOTTSWSA-N 1 2 297.319 -1.560 20 0 CAADLO CC[N@@H+](CC(=O)NC(N)=O)[C@H](C)CNC(=O)c1nc[nH]n1 ZINC001155904832 776512195 /nfs/dbraw/zinc/51/21/95/776512195.db2.gz BFBPVMWENVRGCQ-SSDOTTSWSA-N 1 2 297.319 -1.560 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)CCNC(N)=O)[C@@H](O)C1 ZINC001100106112 776513977 /nfs/dbraw/zinc/51/39/77/776513977.db2.gz PCDUMPKZSMLPEL-SFYZADRCSA-N 1 2 287.320 -2.919 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)CCNC(N)=O)[C@@H](O)C1 ZINC001100106112 776513981 /nfs/dbraw/zinc/51/39/81/776513981.db2.gz PCDUMPKZSMLPEL-SFYZADRCSA-N 1 2 287.320 -2.919 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)CCNC(N)=O)[C@H](O)C1 ZINC001100106110 776514202 /nfs/dbraw/zinc/51/42/02/776514202.db2.gz PCDUMPKZSMLPEL-HTQZYQBOSA-N 1 2 287.320 -2.919 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)CCNC(N)=O)[C@H](O)C1 ZINC001100106110 776514207 /nfs/dbraw/zinc/51/42/07/776514207.db2.gz PCDUMPKZSMLPEL-HTQZYQBOSA-N 1 2 287.320 -2.919 20 0 CAADLO C[C@]1(CNC(=O)Cc2nc[nH]n2)C[N@H+](CCO)CCO1 ZINC001108335248 776514965 /nfs/dbraw/zinc/51/49/65/776514965.db2.gz ZGJXJNXRRXPOII-LBPRGKRZSA-N 1 2 283.332 -1.453 20 0 CAADLO C[C@]1(CNC(=O)Cc2nc[nH]n2)C[N@@H+](CCO)CCO1 ZINC001108335248 776514973 /nfs/dbraw/zinc/51/49/73/776514973.db2.gz ZGJXJNXRRXPOII-LBPRGKRZSA-N 1 2 283.332 -1.453 20 0 CAADLO C[C@]1(CNC(=O)Cc2nnc[nH]2)C[N@H+](CCCO)CCO1 ZINC001108334456 776515180 /nfs/dbraw/zinc/51/51/80/776515180.db2.gz LLDNRZRMAOEPDC-ZDUSSCGKSA-N 1 2 297.359 -1.063 20 0 CAADLO C[C@]1(CNC(=O)Cc2nnc[nH]2)C[N@@H+](CCCO)CCO1 ZINC001108334456 776515186 /nfs/dbraw/zinc/51/51/86/776515186.db2.gz LLDNRZRMAOEPDC-ZDUSSCGKSA-N 1 2 297.359 -1.063 20 0 CAADLO Cn1[nH]c(C[NH2+]CCCNC(=O)c2nnc[nH]2)nc1=O ZINC001168789485 776515275 /nfs/dbraw/zinc/51/52/75/776515275.db2.gz SLAMCXKDAQDHIO-UHFFFAOYSA-N 1 2 280.292 -1.864 20 0 CAADLO Cn1[nH]c(C[NH2+]CCCNC(=O)c2ncn[nH]2)nc1=O ZINC001168789485 776515282 /nfs/dbraw/zinc/51/52/82/776515282.db2.gz SLAMCXKDAQDHIO-UHFFFAOYSA-N 1 2 280.292 -1.864 20 0 CAADLO Cn1[nH]c(C[NH2+]CCCNC(=O)c2nc[nH]n2)nc1=O ZINC001168789485 776515288 /nfs/dbraw/zinc/51/52/88/776515288.db2.gz SLAMCXKDAQDHIO-UHFFFAOYSA-N 1 2 280.292 -1.864 20 0 CAADLO C[C@@]1(CNC(=O)Cc2[nH]cc[nH+]2)CN(CC(N)=O)CCO1 ZINC001108304029 776515349 /nfs/dbraw/zinc/51/53/49/776515349.db2.gz AYFSEWMVJDJABR-CYBMUJFWSA-N 1 2 295.343 -1.355 20 0 CAADLO Cn1nnc(C[NH2+]CCCNC(=O)c2ccncn2)n1 ZINC001168805680 776516710 /nfs/dbraw/zinc/51/67/10/776516710.db2.gz WPPCHJHYPHZEEC-UHFFFAOYSA-N 1 2 276.304 -1.090 20 0 CAADLO C[C@]1(CNC(=O)Cn2cc[nH+]c2)CN(CC(N)=O)CCO1 ZINC001108436425 776519451 /nfs/dbraw/zinc/51/94/51/776519451.db2.gz QHIRBYNZBPJGKT-ZDUSSCGKSA-N 1 2 295.343 -1.425 20 0 CAADLO COC(=O)[C@@H]1C[C@H](Nc2nccc(C(N)=O)n2)C[NH2+]1 ZINC001156243217 776519468 /nfs/dbraw/zinc/51/94/68/776519468.db2.gz QQKBGOVKUKSPNG-XPUUQOCRSA-N 1 2 265.273 -1.109 20 0 CAADLO COC(=O)[C@@H]1C[C@@H](Nc2ccc(CC(N)=O)nn2)C[NH2+]1 ZINC001169129452 776521054 /nfs/dbraw/zinc/52/10/54/776521054.db2.gz OYPUDMUMCGHMCI-BDAKNGLRSA-N 1 2 279.300 -1.180 20 0 CAADLO COC(=O)[C@@H]1C[C@@H](Nc2nn(C)c(=O)n(C)c2=O)C[NH2+]1 ZINC001169132590 776522283 /nfs/dbraw/zinc/52/22/83/776522283.db2.gz SFIWEFXATULAQF-RQJHMYQMSA-N 1 2 283.288 -2.206 20 0 CAADLO COC(=O)[C@@H]1C[C@@H](Nc2ccnc(C(N)=O)c2)C[NH2+]1 ZINC001169132378 776522311 /nfs/dbraw/zinc/52/23/11/776522311.db2.gz LLVNUGURONURMP-SCZZXKLOSA-N 1 2 264.285 -1.082 20 0 CAADLO CN1CCN(c2cc(N[C@H](CO)C(N)=O)[nH+]cn2)CC1=O ZINC001169324392 776524742 /nfs/dbraw/zinc/52/47/42/776524742.db2.gz OSDYSQRURLZOOT-MRVPVSSYSA-N 1 2 294.315 -1.987 20 0 CAADLO CN1CCN(c2cc(N[C@H](CO)C(N)=O)nc[nH+]2)CC1=O ZINC001169324392 776524748 /nfs/dbraw/zinc/52/47/48/776524748.db2.gz OSDYSQRURLZOOT-MRVPVSSYSA-N 1 2 294.315 -1.987 20 0 CAADLO NC(=O)c1c[nH]c2nc[nH+]c(N[C@H](CO)C(N)=O)c12 ZINC001169325925 776525762 /nfs/dbraw/zinc/52/57/62/776525762.db2.gz WTZGUBJCWCUFMU-RXMQYKEDSA-N 1 2 264.245 -1.685 20 0 CAADLO C[S@](=O)c1c[nH]c2nc[nH+]c(N[C@H](CO)C(N)=O)c21 ZINC001169329491 776527217 /nfs/dbraw/zinc/52/72/17/776527217.db2.gz XUPHWRYUDCIMCH-BQLJRSNSSA-N 1 2 283.313 -1.047 20 0 CAADLO CCC(=O)N[C@H]1CC(=O)N(C2C[NH+](CCOCCO)C2)C1 ZINC001108491396 776529813 /nfs/dbraw/zinc/52/98/13/776529813.db2.gz SKLGUSRMDFFAMH-NSHDSACASA-N 1 2 299.371 -1.193 20 0 CAADLO COCC(=O)N[C@H]1CC(=O)N(C2C[NH+](CCO)C2)C1 ZINC001108494296 776530541 /nfs/dbraw/zinc/53/05/41/776530541.db2.gz JTQBDQVPFBTKQB-VIFPVBQESA-N 1 2 271.317 -1.974 20 0 CAADLO COCC[NH+]1CC(N2C[C@H](NC(=O)COC)CC2=O)C1 ZINC001108493283 776530734 /nfs/dbraw/zinc/53/07/34/776530734.db2.gz KZVGABKBEHOZAS-SNVBAGLBSA-N 1 2 285.344 -1.320 20 0 CAADLO Cc1cn(C(C)(C)C(=O)N2CC(O)(C(N)=O)C2)c[nH+]1 ZINC001169487684 776531770 /nfs/dbraw/zinc/53/17/70/776531770.db2.gz YYELTDUKPNICRK-UHFFFAOYSA-N 1 2 266.301 -1.015 20 0 CAADLO NC(=O)NCC(=O)N[C@@H]1CC(=O)N(C2C[NH+](CCO)C2)C1 ZINC001108502206 776532619 /nfs/dbraw/zinc/53/26/19/776532619.db2.gz ITIQIXGSXLBFTN-MRVPVSSYSA-N 1 2 299.331 -2.952 20 0 CAADLO CCO[C@@H](C)C(=O)N[C@H]1CC(=O)N(C2C[NH+](CCO)C2)C1 ZINC001108513651 776532997 /nfs/dbraw/zinc/53/29/97/776532997.db2.gz OVOWCOFTVXEQBS-QWRGUYRKSA-N 1 2 299.371 -1.195 20 0 CAADLO CSCC(=O)N[C@@H]1CC(=O)N(C2C[NH+](CCO)C2)C1 ZINC001108503190 776533407 /nfs/dbraw/zinc/53/34/07/776533407.db2.gz XOZFKCGRWBMFEM-SECBINFHSA-N 1 2 287.385 -1.257 20 0 CAADLO CC(=O)N1CC[C@H]([NH+]2CC(N3CCNC(=O)C3)C2)C1 ZINC001169556096 776533530 /nfs/dbraw/zinc/53/35/30/776533530.db2.gz ONDRBOIGPYTJGE-NSHDSACASA-N 1 2 266.345 -1.277 20 0 CAADLO CCCOCC(=O)N[C@H]1CC(=O)N(C2C[NH+](CCO)C2)C1 ZINC001108518144 776533834 /nfs/dbraw/zinc/53/38/34/776533834.db2.gz TWZLTILSCCISSG-NSHDSACASA-N 1 2 299.371 -1.193 20 0 CAADLO CCOCCC(=O)N[C@H]1CC(=O)N(C2C[NH+](CCO)C2)C1 ZINC001108521954 776534511 /nfs/dbraw/zinc/53/45/11/776534511.db2.gz LGBHUSUNBCPQRF-NSHDSACASA-N 1 2 299.371 -1.193 20 0 CAADLO CC[C@H](OC)C(=O)N[C@@H]1CC(=O)N(C2C[NH+](CCO)C2)C1 ZINC001108517444 776534591 /nfs/dbraw/zinc/53/45/91/776534591.db2.gz IBDKZRUABFHPSX-PWSUYJOCSA-N 1 2 299.371 -1.195 20 0 CAADLO CC[C@@H](OC)C(=O)N[C@@H]1CC(=O)N(C2C[NH+](CCO)C2)C1 ZINC001108517445 776534772 /nfs/dbraw/zinc/53/47/72/776534772.db2.gz IBDKZRUABFHPSX-ZYHUDNBSSA-N 1 2 299.371 -1.195 20 0 CAADLO COC[C@H](C)C(=O)N[C@H]1CC(=O)N(C2C[NH+](CCO)C2)C1 ZINC001108523599 776534903 /nfs/dbraw/zinc/53/49/03/776534903.db2.gz MUDLZRROAWLQBF-QWRGUYRKSA-N 1 2 299.371 -1.338 20 0 CAADLO CNC(=O)CC(=O)N[C@H]1CC(=O)N(C2C[NH+](CCO)C2)C1 ZINC001108534166 776536116 /nfs/dbraw/zinc/53/61/16/776536116.db2.gz IOPYEDKSMOBSMS-VIFPVBQESA-N 1 2 298.343 -2.484 20 0 CAADLO CCOCC[NH+]1CC(N2C[C@@H](NC(=O)C(N)=O)CC2=O)C1 ZINC001108568381 776538436 /nfs/dbraw/zinc/53/84/36/776538436.db2.gz RKVMCIFSCVYWPL-VIFPVBQESA-N 1 2 298.343 -2.091 20 0 CAADLO Cc1nc(N(C)C)nc(NC[C@H](C)NC(=O)C(N)=O)[nH+]1 ZINC001108685430 776540558 /nfs/dbraw/zinc/54/05/58/776540558.db2.gz JJSVDDNQTYKNCE-LURJTMIESA-N 1 2 281.320 -1.352 20 0 CAADLO C[C@@H](CNc1ncnc2c1C[N@H+](C)CC2)NC(=O)C(N)=O ZINC001108684343 776540832 /nfs/dbraw/zinc/54/08/32/776540832.db2.gz QXDBHBYYEFMTSO-QMMMGPOBSA-N 1 2 292.343 -1.134 20 0 CAADLO C[C@@H](CNc1ncnc2c1C[N@@H+](C)CC2)NC(=O)C(N)=O ZINC001108684343 776540834 /nfs/dbraw/zinc/54/08/34/776540834.db2.gz QXDBHBYYEFMTSO-QMMMGPOBSA-N 1 2 292.343 -1.134 20 0 CAADLO COCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC(N)=O ZINC001108857247 776541726 /nfs/dbraw/zinc/54/17/26/776541726.db2.gz IPRHKPXEZLFUNP-UTLUCORTSA-N 1 2 298.343 -1.061 20 0 CAADLO COCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC(N)=O ZINC001108857247 776541729 /nfs/dbraw/zinc/54/17/29/776541729.db2.gz IPRHKPXEZLFUNP-UTLUCORTSA-N 1 2 298.343 -1.061 20 0 CAADLO CNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)NC(C)=O)C2 ZINC001108887005 776541822 /nfs/dbraw/zinc/54/18/22/776541822.db2.gz BDUQUZVSAKZXJX-IELRGYKMSA-N 1 2 296.371 -1.022 20 0 CAADLO CNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)NC(C)=O)C2 ZINC001108887005 776541826 /nfs/dbraw/zinc/54/18/26/776541826.db2.gz BDUQUZVSAKZXJX-IELRGYKMSA-N 1 2 296.371 -1.022 20 0 CAADLO OC[C@H]1O[C@H](O)[C@H](Nc2cccc[nH+]2)[C@@H](O)[C@@H]1O ZINC001169970381 776542508 /nfs/dbraw/zinc/54/25/08/776542508.db2.gz TVDJKJZQXKESCC-QVDPWDGTSA-N 1 2 256.258 -1.707 20 0 CAADLO CC(=O)N(C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(N)=O ZINC001108956563 776543479 /nfs/dbraw/zinc/54/34/79/776543479.db2.gz ZDBDLJTWNRKUGE-VWYCJHECSA-N 1 2 282.344 -1.329 20 0 CAADLO CC(=O)N(C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(N)=O ZINC001108956563 776543483 /nfs/dbraw/zinc/54/34/83/776543483.db2.gz ZDBDLJTWNRKUGE-VWYCJHECSA-N 1 2 282.344 -1.329 20 0 CAADLO OC[C@H]1O[C@@H](O)[C@H](Nc2ccn3cc[nH+]c3c2)[C@@H](O)[C@@H]1O ZINC001169971218 776544562 /nfs/dbraw/zinc/54/45/62/776544562.db2.gz KITMTPKUGPEQTI-JOLIMNQDSA-N 1 2 295.295 -1.454 20 0 CAADLO CO[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC(N)=O ZINC001109005682 776545300 /nfs/dbraw/zinc/54/53/00/776545300.db2.gz BTHQGSHCCZICRJ-JXUBOQSCSA-N 1 2 298.343 -1.062 20 0 CAADLO CO[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC(N)=O ZINC001109005682 776545308 /nfs/dbraw/zinc/54/53/08/776545308.db2.gz BTHQGSHCCZICRJ-JXUBOQSCSA-N 1 2 298.343 -1.062 20 0 CAADLO Cc1cc[nH+]c(C)c1N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O ZINC001169975643 776545328 /nfs/dbraw/zinc/54/53/28/776545328.db2.gz JSKCSXVHBBNSLO-WECGXBHGSA-N 1 2 284.312 -1.090 20 0 CAADLO OC[C@H]1O[C@H](O)[C@H](Nc2cc[nH+]cc2F)[C@@H](O)[C@@H]1O ZINC001169977245 776546668 /nfs/dbraw/zinc/54/66/68/776546668.db2.gz SOAKMXSTJIWOHM-ILAIQSSSSA-N 1 2 274.248 -2.146 20 0 CAADLO CCC(=O)NCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(N)=O ZINC001109075762 776546680 /nfs/dbraw/zinc/54/66/80/776546680.db2.gz BIRCZQMLWYVGAD-UTLUCORTSA-N 1 2 282.344 -1.281 20 0 CAADLO CCC(=O)NCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(N)=O ZINC001109075762 776546685 /nfs/dbraw/zinc/54/66/85/776546685.db2.gz BIRCZQMLWYVGAD-UTLUCORTSA-N 1 2 282.344 -1.281 20 0 CAADLO OC[C@H]1O[C@@H](O)[C@H](Nc2cc[nH+]cc2F)[C@@H](O)[C@@H]1O ZINC001169977246 776547614 /nfs/dbraw/zinc/54/76/14/776547614.db2.gz SOAKMXSTJIWOHM-ISUQUUIWSA-N 1 2 274.248 -2.146 20 0 CAADLO CNC(=O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(N)=O ZINC001109192396 776548541 /nfs/dbraw/zinc/54/85/41/776548541.db2.gz RQYBRARSGYOQFI-VGMNWLOBSA-N 1 2 268.317 -1.671 20 0 CAADLO CNC(=O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(N)=O ZINC001109192396 776548545 /nfs/dbraw/zinc/54/85/45/776548545.db2.gz RQYBRARSGYOQFI-VGMNWLOBSA-N 1 2 268.317 -1.671 20 0 CAADLO CNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)NC(N)=O)C2 ZINC001109188251 776548628 /nfs/dbraw/zinc/54/86/28/776548628.db2.gz GZDZHTUFDDYXCT-JXUBOQSCSA-N 1 2 297.359 -1.489 20 0 CAADLO CNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)NC(N)=O)C2 ZINC001109188251 776548632 /nfs/dbraw/zinc/54/86/32/776548632.db2.gz GZDZHTUFDDYXCT-JXUBOQSCSA-N 1 2 297.359 -1.489 20 0 CAADLO CCNC(=O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(N)=O ZINC001109176895 776549327 /nfs/dbraw/zinc/54/93/27/776549327.db2.gz OHPKFYFRXRGDGE-UTLUCORTSA-N 1 2 282.344 -1.281 20 0 CAADLO CCNC(=O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(N)=O ZINC001109176895 776549334 /nfs/dbraw/zinc/54/93/34/776549334.db2.gz OHPKFYFRXRGDGE-UTLUCORTSA-N 1 2 282.344 -1.281 20 0 CAADLO CCS(=O)(=O)CC(=O)N[C@H]1CC[N@H+](CCO)C[C@H]1O ZINC001100128970 776549411 /nfs/dbraw/zinc/54/94/11/776549411.db2.gz GQVBFHPLEQLRGQ-VHSXEESVSA-N 1 2 294.373 -2.035 20 0 CAADLO CCS(=O)(=O)CC(=O)N[C@H]1CC[N@@H+](CCO)C[C@H]1O ZINC001100128970 776549419 /nfs/dbraw/zinc/54/94/19/776549419.db2.gz GQVBFHPLEQLRGQ-VHSXEESVSA-N 1 2 294.373 -2.035 20 0 CAADLO CNC(=O)NCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(N)=O ZINC001109234999 776550115 /nfs/dbraw/zinc/55/01/15/776550115.db2.gz IOZLEWJBBSSILV-UTLUCORTSA-N 1 2 297.359 -1.488 20 0 CAADLO CNC(=O)NCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(N)=O ZINC001109234999 776550118 /nfs/dbraw/zinc/55/01/18/776550118.db2.gz IOZLEWJBBSSILV-UTLUCORTSA-N 1 2 297.359 -1.488 20 0 CAADLO CC(C)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(N)=O)C2 ZINC001109656289 776550418 /nfs/dbraw/zinc/55/04/18/776550418.db2.gz MHVJJKBOJCWRMY-UTLUCORTSA-N 1 2 282.344 -1.282 20 0 CAADLO CC(C)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(N)=O)C2 ZINC001109656289 776550428 /nfs/dbraw/zinc/55/04/28/776550428.db2.gz MHVJJKBOJCWRMY-UTLUCORTSA-N 1 2 282.344 -1.282 20 0 CAADLO C[C@H](C(=O)NC(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(N)=O)C2 ZINC001109657888 776550531 /nfs/dbraw/zinc/55/05/31/776550531.db2.gz JCLLQZMGHJALNU-NGJRWZKOSA-N 1 2 297.315 -2.223 20 0 CAADLO C[C@H](C(=O)NC(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(N)=O)C2 ZINC001109657888 776550541 /nfs/dbraw/zinc/55/05/41/776550541.db2.gz JCLLQZMGHJALNU-NGJRWZKOSA-N 1 2 297.315 -2.223 20 0 CAADLO C[C@H](CN(C)c1[nH+]cnc2c1cnn2C)NC(=O)C(N)=O ZINC001109215307 776551223 /nfs/dbraw/zinc/55/12/23/776551223.db2.gz YGNKDVOXAGTHHE-SSDOTTSWSA-N 1 2 291.315 -1.211 20 0 CAADLO CNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(C(N)=O)CC1)C2 ZINC001109659153 776552537 /nfs/dbraw/zinc/55/25/37/776552537.db2.gz VSNTUXUJRUFVHL-UTLUCORTSA-N 1 2 294.355 -1.281 20 0 CAADLO CNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(C(N)=O)CC1)C2 ZINC001109659153 776552545 /nfs/dbraw/zinc/55/25/45/776552545.db2.gz VSNTUXUJRUFVHL-UTLUCORTSA-N 1 2 294.355 -1.281 20 0 CAADLO COC[C@H](OC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(N)=O ZINC001109695927 776552685 /nfs/dbraw/zinc/55/26/85/776552685.db2.gz LOSZSOVUJZQCAO-RCWTZXSCSA-N 1 2 285.344 -1.145 20 0 CAADLO COC[C@H](OC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(N)=O ZINC001109695927 776552691 /nfs/dbraw/zinc/55/26/91/776552691.db2.gz LOSZSOVUJZQCAO-RCWTZXSCSA-N 1 2 285.344 -1.145 20 0 CAADLO CCN(C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(N)=O)C2 ZINC001109666433 776552931 /nfs/dbraw/zinc/55/29/31/776552931.db2.gz YAZOIOORSOYHHW-UTLUCORTSA-N 1 2 282.344 -1.329 20 0 CAADLO CCN(C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(N)=O)C2 ZINC001109666433 776552933 /nfs/dbraw/zinc/55/29/33/776552933.db2.gz YAZOIOORSOYHHW-UTLUCORTSA-N 1 2 282.344 -1.329 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cc(F)c[nH]2)[C@H](O)C1 ZINC001090440119 776555758 /nfs/dbraw/zinc/55/57/58/776555758.db2.gz ZJUIKXASVFQWEN-WCBMZHEXSA-N 1 2 284.291 -1.196 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)c2cc(F)c[nH]2)[C@H](O)C1 ZINC001090440119 776555768 /nfs/dbraw/zinc/55/57/68/776555768.db2.gz ZJUIKXASVFQWEN-WCBMZHEXSA-N 1 2 284.291 -1.196 20 0 CAADLO CC(=O)NCC(=O)N1CC[NH+](CCOCCO)CC1 ZINC001112598950 776555875 /nfs/dbraw/zinc/55/58/75/776555875.db2.gz MIDKHLPZRFTILA-UHFFFAOYSA-N 1 2 273.333 -1.724 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cc(F)c[nH]2)[C@@H](O)C1 ZINC001090440118 776556167 /nfs/dbraw/zinc/55/61/67/776556167.db2.gz ZJUIKXASVFQWEN-SCZZXKLOSA-N 1 2 284.291 -1.196 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cc(F)c[nH]2)[C@@H](O)C1 ZINC001090440118 776556172 /nfs/dbraw/zinc/55/61/72/776556172.db2.gz ZJUIKXASVFQWEN-SCZZXKLOSA-N 1 2 284.291 -1.196 20 0 CAADLO NC(=O)NCC(=O)N1CC[NH+](CCn2cccn2)CC1 ZINC001112604773 776557490 /nfs/dbraw/zinc/55/74/90/776557490.db2.gz QAIVENUZICIOLM-UHFFFAOYSA-N 1 2 280.332 -1.304 20 0 CAADLO NC(=O)NCC(=O)N1CC[NH+](CCN2CCNC2=O)CC1 ZINC001112606582 776557559 /nfs/dbraw/zinc/55/75/59/776557559.db2.gz DLRGHIHMBWVORP-UHFFFAOYSA-N 1 2 298.347 -2.176 20 0 CAADLO CC(=O)N[C@H](C)C(=O)N1CC[NH+](CCOCCO)CC1 ZINC001112602977 776558010 /nfs/dbraw/zinc/55/80/10/776558010.db2.gz CLYZGNQXWAANJO-LLVKDONJSA-N 1 2 287.360 -1.336 20 0 CAADLO O=C([C@@H]1COCCO1)N1CC[NH+](CCOCCO)CC1 ZINC001112619749 776559960 /nfs/dbraw/zinc/55/99/60/776559960.db2.gz PUSOBYFVIUWICV-LBPRGKRZSA-N 1 2 288.344 -1.445 20 0 CAADLO CC(=O)N(C)CC(=O)N1CC[NH+](CCn2cncn2)CC1 ZINC001112627249 776560299 /nfs/dbraw/zinc/56/02/99/776560299.db2.gz AGNRNJLVBYWKKZ-UHFFFAOYSA-N 1 2 294.359 -1.099 20 0 CAADLO O=C(CNC(=O)C1CC1)N1CC[NH+](CCOCCO)CC1 ZINC001112648685 776561461 /nfs/dbraw/zinc/56/14/61/776561461.db2.gz RAVYYVZRYJPIIJ-UHFFFAOYSA-N 1 2 299.371 -1.334 20 0 CAADLO NC(=O)CCCC(=O)N[C@H]1CC[N@H+](CC(N)=O)C[C@@H]1O ZINC001100142574 776562923 /nfs/dbraw/zinc/56/29/23/776562923.db2.gz FHFWWROXULQRHK-IUCAKERBSA-N 1 2 286.332 -2.321 20 0 CAADLO NC(=O)CCCC(=O)N[C@H]1CC[N@@H+](CC(N)=O)C[C@@H]1O ZINC001100142574 776562927 /nfs/dbraw/zinc/56/29/27/776562927.db2.gz FHFWWROXULQRHK-IUCAKERBSA-N 1 2 286.332 -2.321 20 0 CAADLO NC(=O)CCCC(=O)N[C@@H]1CC[N@H+](CC(N)=O)C[C@H]1O ZINC001100142575 776563075 /nfs/dbraw/zinc/56/30/75/776563075.db2.gz FHFWWROXULQRHK-RKDXNWHRSA-N 1 2 286.332 -2.321 20 0 CAADLO NC(=O)CCCC(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C[C@H]1O ZINC001100142575 776563084 /nfs/dbraw/zinc/56/30/84/776563084.db2.gz FHFWWROXULQRHK-RKDXNWHRSA-N 1 2 286.332 -2.321 20 0 CAADLO COCCOCC(=O)N1CC[NH+](CCOCCO)CC1 ZINC001112718078 776563395 /nfs/dbraw/zinc/56/33/95/776563395.db2.gz FDJYAVCONVHTMU-UHFFFAOYSA-N 1 2 290.360 -1.198 20 0 CAADLO CCC(=O)NCC(=O)N1CC[NH+](CCOCCO)CC1 ZINC001112719294 776564539 /nfs/dbraw/zinc/56/45/39/776564539.db2.gz HHTKOWXKIHJGCY-UHFFFAOYSA-N 1 2 287.360 -1.334 20 0 CAADLO CCC(=O)NCC(=O)N1CC[NH+](CCn2cncn2)CC1 ZINC001112721628 776565087 /nfs/dbraw/zinc/56/50/87/776565087.db2.gz IUHVHASPWWHRHN-UHFFFAOYSA-N 1 2 294.359 -1.052 20 0 CAADLO COC[C@H](O)C[NH+]1CCN(C(=O)c2nnn(C)c2C)CC1 ZINC001112738912 776566417 /nfs/dbraw/zinc/56/64/17/776566417.db2.gz QJOZLABOQJHNFF-LLVKDONJSA-N 1 2 297.359 -1.111 20 0 CAADLO O=C(CCc1nnc[nH]1)N1CC[NH+](CCOCCO)CC1 ZINC001112757690 776567070 /nfs/dbraw/zinc/56/70/70/776567070.db2.gz SIQGCJHEAGXFRP-UHFFFAOYSA-N 1 2 297.359 -1.110 20 0 CAADLO CNC(=O)CC(=O)N1CC[NH+]([C@H]2CCCN(C)C2=O)CC1 ZINC001112793801 776568597 /nfs/dbraw/zinc/56/85/97/776568597.db2.gz JGNHKTBFVHJGPR-NSHDSACASA-N 1 2 296.371 -1.113 20 0 CAADLO O=C(CCn1ccnn1)N1CC[NH+](CCOCCO)CC1 ZINC001112792545 776568934 /nfs/dbraw/zinc/56/89/34/776568934.db2.gz VWWIABGJGOKLOK-UHFFFAOYSA-N 1 2 297.359 -1.179 20 0 CAADLO CNC(=O)CC(=O)N1CC[NH+]([C@@H]2CCCN(C)C2=O)CC1 ZINC001112793800 776568946 /nfs/dbraw/zinc/56/89/46/776568946.db2.gz JGNHKTBFVHJGPR-LLVKDONJSA-N 1 2 296.371 -1.113 20 0 CAADLO Cn1ncc(C(=O)N2CC[NH+](CCOCCO)CC2)c1N ZINC001112783903 776569061 /nfs/dbraw/zinc/56/90/61/776569061.db2.gz HWCSMQJSSUQHME-UHFFFAOYSA-N 1 2 297.359 -1.231 20 0 CAADLO CNC(=O)CC(=O)N1CC[NH+](CCOCCO)CC1 ZINC001112791659 776569325 /nfs/dbraw/zinc/56/93/25/776569325.db2.gz VIEPBGUYOJRVAR-UHFFFAOYSA-N 1 2 273.333 -1.724 20 0 CAADLO O=C([C@H]1COC(=O)N1)N1CC[NH+](CCOCCO)CC1 ZINC001112815381 776570110 /nfs/dbraw/zinc/57/01/10/776570110.db2.gz OGFJIJWKQQSOCF-SNVBAGLBSA-N 1 2 287.316 -1.752 20 0 CAADLO COC[C@@H](O)C[NH+]1CCN(C(=O)c2cnnn2C)CC1 ZINC001112815186 776570248 /nfs/dbraw/zinc/57/02/48/776570248.db2.gz HSWXEQQSJXSZLO-JTQLQIEISA-N 1 2 283.332 -1.420 20 0 CAADLO Cn1cnc(C(=O)N2CC[NH+](CCOCCO)CC2)n1 ZINC001112818775 776570569 /nfs/dbraw/zinc/57/05/69/776570569.db2.gz UIDPDMDXFLJUEH-UHFFFAOYSA-N 1 2 283.332 -1.418 20 0 CAADLO CC(=O)N1CC(C(=O)N2CC[NH+](CCOCCO)CC2)C1 ZINC001112796164 776570789 /nfs/dbraw/zinc/57/07/89/776570789.db2.gz WCIBWRGNIBXKGZ-UHFFFAOYSA-N 1 2 299.371 -1.382 20 0 CAADLO Cn1cc(C(=O)N2CC[NH+](CCOCCO)CC2)nn1 ZINC001112817613 776572295 /nfs/dbraw/zinc/57/22/95/776572295.db2.gz VSLLMFXFHILLFT-UHFFFAOYSA-N 1 2 283.332 -1.418 20 0 CAADLO COCC(=O)N[C@@H](C)C(=O)N1CC[NH+](CCO)CC1 ZINC001112873501 776573681 /nfs/dbraw/zinc/57/36/81/776573681.db2.gz PICCNVVGRMMYHZ-JTQLQIEISA-N 1 2 273.333 -1.726 20 0 CAADLO COCC(=O)N[C@H](C)C(=O)N1CC[NH+](CCO)CC1 ZINC001112873502 776573752 /nfs/dbraw/zinc/57/37/52/776573752.db2.gz PICCNVVGRMMYHZ-SNVBAGLBSA-N 1 2 273.333 -1.726 20 0 CAADLO O=C(C[C@H]1CCNC1=O)N1CC[NH+](CCOCCO)CC1 ZINC001112960443 776574986 /nfs/dbraw/zinc/57/49/86/776574986.db2.gz KUDFLQWZGVLUOU-GFCCVEGCSA-N 1 2 299.371 -1.334 20 0 CAADLO CN1C[C@@H](C(=O)N2CC[NH+](CCOCCO)CC2)CC1=O ZINC001112909129 776575096 /nfs/dbraw/zinc/57/50/96/776575096.db2.gz LMZUVTCSTFLGAX-LBPRGKRZSA-N 1 2 299.371 -1.382 20 0 CAADLO CNC(=O)NCC(=O)N1CC[NH+](CCOCCO)CC1 ZINC001112926697 776575875 /nfs/dbraw/zinc/57/58/75/776575875.db2.gz MQZZOQAPCQPMCI-UHFFFAOYSA-N 1 2 288.348 -1.932 20 0 CAADLO O=C([C@@H]1CCC(=O)NC1)N1CC[NH+](CCOCCO)CC1 ZINC001113055274 776576621 /nfs/dbraw/zinc/57/66/21/776576621.db2.gz RQIABMWWDDLOSK-GFCCVEGCSA-N 1 2 299.371 -1.334 20 0 CAADLO C[C@H](NC(=O)[C@@H]([NH3+])Cc1nn[nH]n1)[C@@H]1CCCO1 ZINC001157424353 776577432 /nfs/dbraw/zinc/57/74/32/776577432.db2.gz SCUMVKRLWCVJAW-FXQIFTODSA-N 1 2 254.294 -1.247 20 0 CAADLO COC[C@@H](O)C[NH+]1CCN(C(=O)c2cn[nH]n2)CC1 ZINC001113062059 776577904 /nfs/dbraw/zinc/57/79/04/776577904.db2.gz GIMZYGCWEOLVAB-VIFPVBQESA-N 1 2 269.305 -1.430 20 0 CAADLO C[C@H](CC(N)=O)C(=O)N1CC[NH+](CCOCCO)CC1 ZINC001113193527 776578432 /nfs/dbraw/zinc/57/84/32/776578432.db2.gz LZHSWSAVLMBHLL-LLVKDONJSA-N 1 2 287.360 -1.349 20 0 CAADLO O=C([C@H]1CCNC1=O)N1CC[NH+](CCOCCO)CC1 ZINC001113188420 776579001 /nfs/dbraw/zinc/57/90/01/776579001.db2.gz GNXQAYQFZGOLQP-NSHDSACASA-N 1 2 285.344 -1.724 20 0 CAADLO NC(=O)[C@@H]1CC[C@@H]1C(=O)N1CC[NH+](CCOCCO)CC1 ZINC001113187320 776579482 /nfs/dbraw/zinc/57/94/82/776579482.db2.gz VYBSTXLQMUPONR-NEPJUHHUSA-N 1 2 299.371 -1.349 20 0 CAADLO NC(=O)[C@@H]1CC[C@H]1C(=O)N1CC[NH+](CCOCCO)CC1 ZINC001113187323 776579848 /nfs/dbraw/zinc/57/98/48/776579848.db2.gz VYBSTXLQMUPONR-VXGBXAGGSA-N 1 2 299.371 -1.349 20 0 CAADLO CN1C(=O)CC[C@@H]1C(=O)N1CC[NH+](CCOCCO)CC1 ZINC001113250105 776579996 /nfs/dbraw/zinc/57/99/96/776579996.db2.gz MZHDWNCBNXWHHY-GFCCVEGCSA-N 1 2 299.371 -1.240 20 0 CAADLO CN1CC[C@@H](C(=O)N2CC[NH+](CCOCCO)CC2)C1=O ZINC001113221304 776580311 /nfs/dbraw/zinc/58/03/11/776580311.db2.gz LQEYSYMUJCLOKL-GFCCVEGCSA-N 1 2 299.371 -1.382 20 0 CAADLO CC(=O)NCCOCC[NH+]1CCN(C(=O)C(N)=O)CC1 ZINC001113278738 776581722 /nfs/dbraw/zinc/58/17/22/776581722.db2.gz QNFUUZXAWRIUAH-UHFFFAOYSA-N 1 2 286.332 -2.231 20 0 CAADLO O=C([C@@H]1CNC(=O)N1)N1CC[NH+](CCOCCO)CC1 ZINC001113275588 776583536 /nfs/dbraw/zinc/58/35/36/776583536.db2.gz RYKJIQXMAOBURP-JTQLQIEISA-N 1 2 286.332 -2.179 20 0 CAADLO C[C@H](NC(N)=O)C(=O)N1CC[NH2+][C@@H](c2cn[nH]c2)C1 ZINC001170138158 776584204 /nfs/dbraw/zinc/58/42/04/776584204.db2.gz ARJGVNAIDPUUNE-IONNQARKSA-N 1 2 266.305 -1.061 20 0 CAADLO NC(=O)NC(=O)CN1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001113384948 776585064 /nfs/dbraw/zinc/58/50/64/776585064.db2.gz SNXGSNGHHSINCF-UHFFFAOYSA-N 1 2 294.315 -1.709 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2csnn2)[C@@H](O)C1 ZINC001090451061 776585170 /nfs/dbraw/zinc/58/51/70/776585170.db2.gz DYFVMEANMZXIOI-CBAPKCEASA-N 1 2 299.356 -1.551 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)c2csnn2)[C@@H](O)C1 ZINC001090451061 776585179 /nfs/dbraw/zinc/58/51/79/776585179.db2.gz DYFVMEANMZXIOI-CBAPKCEASA-N 1 2 299.356 -1.551 20 0 CAADLO C[C@]1(C(=O)N2CC[NH+](CCOCCO)CC2)CCNC1=O ZINC001113341058 776585356 /nfs/dbraw/zinc/58/53/56/776585356.db2.gz JEKIZAFGIKKGSE-AWEZNQCLSA-N 1 2 299.371 -1.334 20 0 CAADLO CN(C)C(=O)CC(=O)N1CC[NH+](CCOCCO)CC1 ZINC001113414436 776586522 /nfs/dbraw/zinc/58/65/22/776586522.db2.gz XGEHQVGZPJWJCI-UHFFFAOYSA-N 1 2 287.360 -1.382 20 0 CAADLO O=C(C[C@H]1CCC(=O)N1)N1CC[NH+](CCOCCO)CC1 ZINC001113422561 776586814 /nfs/dbraw/zinc/58/68/14/776586814.db2.gz QZHKHENUMPKRRP-GFCCVEGCSA-N 1 2 299.371 -1.192 20 0 CAADLO O=C(C[C@@H]1CCC(=O)N1)N1CC[NH+](CCOCCO)CC1 ZINC001113422562 776587003 /nfs/dbraw/zinc/58/70/03/776587003.db2.gz QZHKHENUMPKRRP-LBPRGKRZSA-N 1 2 299.371 -1.192 20 0 CAADLO COC[C@@H](O)C[NH+]1CCN(C(=O)c2cnon2)CC1 ZINC001113444083 776587319 /nfs/dbraw/zinc/58/73/19/776587319.db2.gz OITMBXYLKRVFAC-VIFPVBQESA-N 1 2 270.289 -1.165 20 0 CAADLO COC[C@H](O)C[NH+]1CCN(C(=O)c2nc[nH]n2)CC1 ZINC001113443097 776587500 /nfs/dbraw/zinc/58/75/00/776587500.db2.gz YIEFJMJBQOXULY-SECBINFHSA-N 1 2 269.305 -1.430 20 0 CAADLO COC[C@H](O)C[NH+]1CCN(C(=O)c2cnn(C)n2)CC1 ZINC001113428345 776587536 /nfs/dbraw/zinc/58/75/36/776587536.db2.gz RTGQONGNNAYNHK-SNVBAGLBSA-N 1 2 283.332 -1.420 20 0 CAADLO NC(=O)NC(=O)CN1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001113455567 776588312 /nfs/dbraw/zinc/58/83/12/776588312.db2.gz OIJJAEPIYICZLU-UHFFFAOYSA-N 1 2 294.315 -1.709 20 0 CAADLO CN(C)S(=O)(=O)CC(=O)N1CC[NH+](CCCO)CC1 ZINC001113593538 776590810 /nfs/dbraw/zinc/59/08/10/776590810.db2.gz GRSLVCPEFFGPHF-UHFFFAOYSA-N 1 2 293.389 -1.596 20 0 CAADLO COc1nc(C(=O)N[C@H]2CC[N@H+](CC(N)=O)C[C@@H]2O)co1 ZINC001090460158 776591641 /nfs/dbraw/zinc/59/16/41/776591641.db2.gz PDLWUYCEUPCYIQ-CBAPKCEASA-N 1 2 298.299 -1.667 20 0 CAADLO COc1nc(C(=O)N[C@H]2CC[N@@H+](CC(N)=O)C[C@@H]2O)co1 ZINC001090460158 776591646 /nfs/dbraw/zinc/59/16/46/776591646.db2.gz PDLWUYCEUPCYIQ-CBAPKCEASA-N 1 2 298.299 -1.667 20 0 CAADLO NC(=O)CCCC(=O)N1CC[NH+](CCOCCO)CC1 ZINC001113730315 776592211 /nfs/dbraw/zinc/59/22/11/776592211.db2.gz YQXDYUOMQSSXSL-UHFFFAOYSA-N 1 2 287.360 -1.205 20 0 CAADLO COCC(=O)N[C@@H]1[C@H]2C[N@H+](CCS(C)(=O)=O)C[C@H]21 ZINC001113765463 776594380 /nfs/dbraw/zinc/59/43/80/776594380.db2.gz UMSFJKKLCPVMFN-JZYVYDRUSA-N 1 2 276.358 -1.276 20 0 CAADLO COCC(=O)N[C@@H]1[C@H]2C[N@@H+](CCS(C)(=O)=O)C[C@H]21 ZINC001113765463 776594389 /nfs/dbraw/zinc/59/43/89/776594389.db2.gz UMSFJKKLCPVMFN-JZYVYDRUSA-N 1 2 276.358 -1.276 20 0 CAADLO C[C@H]1CN(C(=O)[C@@H]([NH3+])Cc2nn[nH]n2)CCCO1 ZINC001157703257 776596761 /nfs/dbraw/zinc/59/67/61/776596761.db2.gz LSGLOWOZQATRKR-YUMQZZPRSA-N 1 2 254.294 -1.293 20 0 CAADLO CN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)c2cnco2)[C@H](O)C1 ZINC001090465729 776598267 /nfs/dbraw/zinc/59/82/67/776598267.db2.gz HRXIXYOKMONTPQ-VHSXEESVSA-N 1 2 296.327 -1.072 20 0 CAADLO CN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)c2cnco2)[C@H](O)C1 ZINC001090465729 776598276 /nfs/dbraw/zinc/59/82/76/776598276.db2.gz HRXIXYOKMONTPQ-VHSXEESVSA-N 1 2 296.327 -1.072 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cnco2)[C@@H](O)C1 ZINC001090463737 776598366 /nfs/dbraw/zinc/59/83/66/776598366.db2.gz PGCPITXMBVSNAB-IUCAKERBSA-N 1 2 282.300 -1.414 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cnco2)[C@@H](O)C1 ZINC001090463737 776598371 /nfs/dbraw/zinc/59/83/71/776598371.db2.gz PGCPITXMBVSNAB-IUCAKERBSA-N 1 2 282.300 -1.414 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cnco2)[C@H](O)C1 ZINC001090467157 776598564 /nfs/dbraw/zinc/59/85/64/776598564.db2.gz OVCMFWLQBIPWMW-HTQZYQBOSA-N 1 2 268.273 -1.675 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cnco2)[C@H](O)C1 ZINC001090467157 776598568 /nfs/dbraw/zinc/59/85/68/776598568.db2.gz OVCMFWLQBIPWMW-HTQZYQBOSA-N 1 2 268.273 -1.675 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cnco2)[C@@H](O)C1 ZINC001090467160 776598691 /nfs/dbraw/zinc/59/86/91/776598691.db2.gz OVCMFWLQBIPWMW-YUMQZZPRSA-N 1 2 268.273 -1.675 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)c2cnco2)[C@@H](O)C1 ZINC001090467160 776598695 /nfs/dbraw/zinc/59/86/95/776598695.db2.gz OVCMFWLQBIPWMW-YUMQZZPRSA-N 1 2 268.273 -1.675 20 0 CAADLO CN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cnco2)[C@@H](O)C1 ZINC001090465730 776598751 /nfs/dbraw/zinc/59/87/51/776598751.db2.gz HRXIXYOKMONTPQ-ZJUUUORDSA-N 1 2 296.327 -1.072 20 0 CAADLO CN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)c2cnco2)[C@@H](O)C1 ZINC001090465730 776598757 /nfs/dbraw/zinc/59/87/57/776598757.db2.gz HRXIXYOKMONTPQ-ZJUUUORDSA-N 1 2 296.327 -1.072 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cnco2)[C@H](O)C1 ZINC001090463736 776598982 /nfs/dbraw/zinc/59/89/82/776598982.db2.gz PGCPITXMBVSNAB-DTWKUNHWSA-N 1 2 282.300 -1.414 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cnco2)[C@H](O)C1 ZINC001090463736 776598990 /nfs/dbraw/zinc/59/89/90/776598990.db2.gz PGCPITXMBVSNAB-DTWKUNHWSA-N 1 2 282.300 -1.414 20 0 CAADLO C[C@@H](CNC(=O)C(N)=O)N(C)c1[nH+]cnc2c1cnn2C ZINC001113847376 776601548 /nfs/dbraw/zinc/60/15/48/776601548.db2.gz IWXLGYYTDGKLSQ-ZETCQYMHSA-N 1 2 291.315 -1.211 20 0 CAADLO NC(=O)NCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cnon3)C[C@H]21 ZINC001113849345 776602536 /nfs/dbraw/zinc/60/25/36/776602536.db2.gz KCDUUTXNZCMSPZ-MBTKJCJQSA-N 1 2 280.288 -1.716 20 0 CAADLO NC(=O)NCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cnon3)C[C@H]21 ZINC001113849345 776602541 /nfs/dbraw/zinc/60/25/41/776602541.db2.gz KCDUUTXNZCMSPZ-MBTKJCJQSA-N 1 2 280.288 -1.716 20 0 CAADLO Cc1noc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CNC(N)=O)n1 ZINC001113849182 776602563 /nfs/dbraw/zinc/60/25/63/776602563.db2.gz IFZRGCBMELRXAY-VROVMSAKSA-N 1 2 294.315 -1.407 20 0 CAADLO Cc1noc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CNC(N)=O)n1 ZINC001113849182 776602571 /nfs/dbraw/zinc/60/25/71/776602571.db2.gz IFZRGCBMELRXAY-VROVMSAKSA-N 1 2 294.315 -1.407 20 0 CAADLO Cc1nnc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CNC(N)=O)o1 ZINC001113848996 776603151 /nfs/dbraw/zinc/60/31/51/776603151.db2.gz GZESWSNXRDXUBD-VROVMSAKSA-N 1 2 294.315 -1.407 20 0 CAADLO Cc1nnc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CNC(N)=O)o1 ZINC001113848996 776603155 /nfs/dbraw/zinc/60/31/55/776603155.db2.gz GZESWSNXRDXUBD-VROVMSAKSA-N 1 2 294.315 -1.407 20 0 CAADLO CO[C@H](C)C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3nc(=O)n(C)[nH]3)C[C@H]21 ZINC001113953565 776605976 /nfs/dbraw/zinc/60/59/76/776605976.db2.gz RERINFYBJKOCTC-REIXXSIJSA-N 1 2 295.343 -1.310 20 0 CAADLO CO[C@H](C)C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3nc(=O)n(C)[nH]3)C[C@H]21 ZINC001113953565 776605986 /nfs/dbraw/zinc/60/59/86/776605986.db2.gz RERINFYBJKOCTC-REIXXSIJSA-N 1 2 295.343 -1.310 20 0 CAADLO Cc1nnc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CC(N)=O)o1 ZINC001114092661 776610248 /nfs/dbraw/zinc/61/02/48/776610248.db2.gz ARRRSLMHQYYRAI-JDICNCQASA-N 1 2 279.300 -1.200 20 0 CAADLO Cc1nnc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CC(N)=O)o1 ZINC001114092661 776610253 /nfs/dbraw/zinc/61/02/53/776610253.db2.gz ARRRSLMHQYYRAI-JDICNCQASA-N 1 2 279.300 -1.200 20 0 CAADLO NC(=O)CC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cnns3)C[C@H]21 ZINC001114099121 776611378 /nfs/dbraw/zinc/61/13/78/776611378.db2.gz RALWZOAXEPMYTL-VROVMSAKSA-N 1 2 281.341 -1.040 20 0 CAADLO NC(=O)CC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cnns3)C[C@H]21 ZINC001114099121 776611383 /nfs/dbraw/zinc/61/13/83/776611383.db2.gz RALWZOAXEPMYTL-VROVMSAKSA-N 1 2 281.341 -1.040 20 0 CAADLO NC(=O)CC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cnon3)C[C@H]21 ZINC001114098753 776611673 /nfs/dbraw/zinc/61/16/73/776611673.db2.gz KWNFHNJHJRGHBM-VROVMSAKSA-N 1 2 265.273 -1.509 20 0 CAADLO NC(=O)CC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cnon3)C[C@H]21 ZINC001114098753 776611679 /nfs/dbraw/zinc/61/16/79/776611679.db2.gz KWNFHNJHJRGHBM-VROVMSAKSA-N 1 2 265.273 -1.509 20 0 CAADLO Cn1[nH]c(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CC(N)=O)nc1=O ZINC001114093111 776612531 /nfs/dbraw/zinc/61/25/31/776612531.db2.gz JAOWYPBSGKZZNM-IIDWOEFGSA-N 1 2 294.315 -2.470 20 0 CAADLO Cn1[nH]c(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CC(N)=O)nc1=O ZINC001114093111 776612538 /nfs/dbraw/zinc/61/25/38/776612538.db2.gz JAOWYPBSGKZZNM-IIDWOEFGSA-N 1 2 294.315 -2.470 20 0 CAADLO NC(=O)CC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ncccn3)C[C@H]21 ZINC001114093714 776612755 /nfs/dbraw/zinc/61/27/55/776612755.db2.gz UIQSVFZPCQBDLO-WOFXILAISA-N 1 2 275.312 -1.102 20 0 CAADLO NC(=O)CC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ncccn3)C[C@H]21 ZINC001114093714 776612761 /nfs/dbraw/zinc/61/27/61/776612761.db2.gz UIQSVFZPCQBDLO-WOFXILAISA-N 1 2 275.312 -1.102 20 0 CAADLO NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1nnc[nH]1 ZINC001114120882 776613640 /nfs/dbraw/zinc/61/36/40/776613640.db2.gz ZFENDIVVSMIXKI-JDICNCQASA-N 1 2 278.316 -1.731 20 0 CAADLO NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1nnc[nH]1 ZINC001114120882 776613641 /nfs/dbraw/zinc/61/36/41/776613641.db2.gz ZFENDIVVSMIXKI-JDICNCQASA-N 1 2 278.316 -1.731 20 0 CAADLO Cn1ccc(CC(=O)NCCC[NH2+]Cc2nnn(C)n2)n1 ZINC001157809717 776613769 /nfs/dbraw/zinc/61/37/69/776613769.db2.gz SQRWGWKNCLIWNP-UHFFFAOYSA-N 1 2 292.347 -1.218 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2c[nH]nc2C)[C@@H](O)C1 ZINC001090476080 776616305 /nfs/dbraw/zinc/61/63/05/776616305.db2.gz MBDRXKAUEISZEV-MNOVXSKESA-N 1 2 295.343 -1.371 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2c[nH]nc2C)[C@@H](O)C1 ZINC001090476080 776616308 /nfs/dbraw/zinc/61/63/08/776616308.db2.gz MBDRXKAUEISZEV-MNOVXSKESA-N 1 2 295.343 -1.371 20 0 CAADLO O=C(CN1CCOCC1=O)NCC[NH2+]Cc1ncccn1 ZINC001129551555 776622850 /nfs/dbraw/zinc/62/28/50/776622850.db2.gz QBNCTPNCSLXRLB-UHFFFAOYSA-N 1 2 293.327 -1.459 20 0 CAADLO O=C(CN1CCOCC1=O)NCC[NH2+]Cc1nncs1 ZINC001129573316 776625046 /nfs/dbraw/zinc/62/50/46/776625046.db2.gz AUHTYKPIHGLVOM-UHFFFAOYSA-N 1 2 299.356 -1.397 20 0 CAADLO Cc1nonc1C[NH2+]CCNC(=O)C[C@@H]1NC(=O)NC1=O ZINC001129743084 776626102 /nfs/dbraw/zinc/62/61/02/776626102.db2.gz FUSUAATYLYUUKS-ZETCQYMHSA-N 1 2 296.287 -1.818 20 0 CAADLO Cc1cnc(C[NH2+]CCNC(=O)C[C@@H]2NC(=O)NC2=O)o1 ZINC001129743700 776627688 /nfs/dbraw/zinc/62/76/88/776627688.db2.gz UBRKYCNGUHPTIB-QMMMGPOBSA-N 1 2 295.299 -1.213 20 0 CAADLO O=C(C[C@@H]1NC(=O)NC1=O)NCC[NH2+]Cc1csnn1 ZINC001129743354 776627980 /nfs/dbraw/zinc/62/79/80/776627980.db2.gz MRZIARVRNUQJCE-ZETCQYMHSA-N 1 2 298.328 -1.658 20 0 CAADLO Cc1noc(C[NH2+]CCNC(=O)C[C@@H]2NC(=O)NC2=O)n1 ZINC001129743924 776628125 /nfs/dbraw/zinc/62/81/25/776628125.db2.gz YYDBEDHUADRIBB-ZETCQYMHSA-N 1 2 296.287 -1.818 20 0 CAADLO C[C@@H]1OCCO[C@@H]1C(=O)NCC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001129802957 776628361 /nfs/dbraw/zinc/62/83/61/776628361.db2.gz SZLLRCAKYJLJGP-WPRPVWTQSA-N 1 2 299.331 -1.882 20 0 CAADLO Cc1nnc(C[NH2+]CCNC(=O)c2cc(=O)n(C)cn2)o1 ZINC001129814337 776629649 /nfs/dbraw/zinc/62/96/49/776629649.db2.gz PHIIYDAEOXVBDK-UHFFFAOYSA-N 1 2 292.299 -1.009 20 0 CAADLO O=C(NCC[NH2+]Cc1cnon1)[C@H]1CCCNC1=O ZINC001129956883 776636210 /nfs/dbraw/zinc/63/62/10/776636210.db2.gz GJTZTUTUYBDRNI-VIFPVBQESA-N 1 2 267.289 -1.198 20 0 CAADLO O=C(NCC[NH2+]Cc1cnon1)[C@@H]1CCCNC1=O ZINC001129956882 776636278 /nfs/dbraw/zinc/63/62/78/776636278.db2.gz GJTZTUTUYBDRNI-SECBINFHSA-N 1 2 267.289 -1.198 20 0 CAADLO COC1CC(C(=O)NCC[NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001130024230 776637015 /nfs/dbraw/zinc/63/70/15/776637015.db2.gz IOMBJCFQANWUTO-UHFFFAOYSA-N 1 2 283.332 -1.261 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2[nH]nnc2C)[C@H](O)C1 ZINC001090481525 776641759 /nfs/dbraw/zinc/64/17/59/776641759.db2.gz BRNQFOCAAMRPMA-DTWKUNHWSA-N 1 2 296.331 -1.976 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)c2[nH]nnc2C)[C@H](O)C1 ZINC001090481525 776641764 /nfs/dbraw/zinc/64/17/64/776641764.db2.gz BRNQFOCAAMRPMA-DTWKUNHWSA-N 1 2 296.331 -1.976 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2[nH]nnc2C)[C@@H](O)C1 ZINC001090481524 776642697 /nfs/dbraw/zinc/64/26/97/776642697.db2.gz BRNQFOCAAMRPMA-BDAKNGLRSA-N 1 2 296.331 -1.976 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2[nH]nnc2C)[C@@H](O)C1 ZINC001090481524 776642703 /nfs/dbraw/zinc/64/27/03/776642703.db2.gz BRNQFOCAAMRPMA-BDAKNGLRSA-N 1 2 296.331 -1.976 20 0 CAADLO CN(C)C(=O)O[C@@H]1CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001170478776 776644071 /nfs/dbraw/zinc/64/40/71/776644071.db2.gz FRKXPOMTOKSNDZ-SSDOTTSWSA-N 1 2 258.278 -1.046 20 0 CAADLO CN(C)C(=O)O[C@@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001170478776 776644074 /nfs/dbraw/zinc/64/40/74/776644074.db2.gz FRKXPOMTOKSNDZ-SSDOTTSWSA-N 1 2 258.278 -1.046 20 0 CAADLO Cn1[nH]c(CNCCNC(=O)[C@@H]2CCCC[N@@H+]2C)nc1=O ZINC001130298211 776649301 /nfs/dbraw/zinc/64/93/01/776649301.db2.gz YIYYTSZSKCDYQK-JTQLQIEISA-N 1 2 296.375 -1.202 20 0 CAADLO Cn1[nH]c(CNCCNC(=O)[C@@H]2CCCC[N@H+]2C)nc1=O ZINC001130298211 776649303 /nfs/dbraw/zinc/64/93/03/776649303.db2.gz YIYYTSZSKCDYQK-JTQLQIEISA-N 1 2 296.375 -1.202 20 0 CAADLO C[C@@H](C(=O)NCC[NH2+]Cc1cnn(C)n1)S(C)(=O)=O ZINC001130324138 776650380 /nfs/dbraw/zinc/65/03/80/776650380.db2.gz SARWAMJIQJXQPT-QMMMGPOBSA-N 1 2 289.361 -1.546 20 0 CAADLO C[C@]1(CO)CN(C(=O)[C@@H]([NH3+])Cc2nn[nH]n2)CC[C@@H]1O ZINC001157944167 776650634 /nfs/dbraw/zinc/65/06/34/776650634.db2.gz IIPQXEBNHKFGQU-DKCNOQQISA-N 1 2 284.320 -2.339 20 0 CAADLO CS(=O)(=O)CCC(=O)NCC[NH2+]Cc1cnon1 ZINC001130329869 776651921 /nfs/dbraw/zinc/65/19/21/776651921.db2.gz DAFVHGFUJPREGU-UHFFFAOYSA-N 1 2 276.318 -1.290 20 0 CAADLO C[C@H](C(=O)NCC[NH2+]Cc1cnon1)S(C)(=O)=O ZINC001130329692 776652146 /nfs/dbraw/zinc/65/21/46/776652146.db2.gz AAUHYWDFABUREU-SSDOTTSWSA-N 1 2 276.318 -1.292 20 0 CAADLO C[C@]1(CO)CCN(C(=O)[C@@H]([NH3+])Cc2nn[nH]n2)C[C@@H]1O ZINC001157948035 776654757 /nfs/dbraw/zinc/65/47/57/776654757.db2.gz YSRBXTVXNIKXIV-DKCNOQQISA-N 1 2 284.320 -2.339 20 0 CAADLO Cc1nn[nH]c1C(=O)N[C@H]1CC[N@H+](CC(N)=O)C[C@H]1O ZINC001090484311 776656041 /nfs/dbraw/zinc/65/60/41/776656041.db2.gz XMIBMYLJSGBOGZ-JGVFFNPUSA-N 1 2 282.304 -2.237 20 0 CAADLO Cc1nn[nH]c1C(=O)N[C@H]1CC[N@@H+](CC(N)=O)C[C@H]1O ZINC001090484311 776656043 /nfs/dbraw/zinc/65/60/43/776656043.db2.gz XMIBMYLJSGBOGZ-JGVFFNPUSA-N 1 2 282.304 -2.237 20 0 CAADLO Cc1nn[nH]c1C(=O)N[C@@H]1CC[N@H+](CC(N)=O)C[C@H]1O ZINC001090484309 776656545 /nfs/dbraw/zinc/65/65/45/776656545.db2.gz XMIBMYLJSGBOGZ-HTQZYQBOSA-N 1 2 282.304 -2.237 20 0 CAADLO Cc1nn[nH]c1C(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C[C@H]1O ZINC001090484309 776656549 /nfs/dbraw/zinc/65/65/49/776656549.db2.gz XMIBMYLJSGBOGZ-HTQZYQBOSA-N 1 2 282.304 -2.237 20 0 CAADLO C[C@@H]1C[C@@H](C(=O)NCC[NH2+]Cc2nc(=O)n(C)[nH]2)CO1 ZINC001130503457 776658245 /nfs/dbraw/zinc/65/82/45/776658245.db2.gz IGDUFXMPWUNNJB-RKDXNWHRSA-N 1 2 283.332 -1.261 20 0 CAADLO Cc1noc(C[NH2+]CCNC(=O)Cn2ncn(C)c2=O)n1 ZINC001130591038 776662217 /nfs/dbraw/zinc/66/22/17/776662217.db2.gz QGJNUFWYJFQLAQ-UHFFFAOYSA-N 1 2 295.303 -1.821 20 0 CAADLO Cn1cnn(CC(=O)NCC[NH2+]Cc2csnn2)c1=O ZINC001130591035 776662561 /nfs/dbraw/zinc/66/25/61/776662561.db2.gz QBLIMBORDWGKNW-UHFFFAOYSA-N 1 2 297.344 -1.661 20 0 CAADLO Cn1cc(C[NH2+]CCNC(=O)C(=O)NCC(F)F)nn1 ZINC001130643039 776663807 /nfs/dbraw/zinc/66/38/07/776663807.db2.gz NFWLYTOAUMTFTQ-UHFFFAOYSA-N 1 2 290.274 -1.598 20 0 CAADLO O=C(NCC[NH2+]Cc1cnon1)C(=O)NCC(F)F ZINC001130642811 776664348 /nfs/dbraw/zinc/66/43/48/776664348.db2.gz DSJJQXGIVRIBFB-UHFFFAOYSA-N 1 2 277.231 -1.343 20 0 CAADLO Cn1nnnc1C[NH2+]CCNC(=O)C(=O)NCC(F)F ZINC001130650543 776664507 /nfs/dbraw/zinc/66/45/07/776664507.db2.gz IYCQNJRBFDEHQA-UHFFFAOYSA-N 1 2 291.262 -2.203 20 0 CAADLO Cn1c(C(=O)N[C@@H]2CC[N@H+](CC(N)=O)C[C@@H]2O)c[nH]c1=O ZINC001090491182 776667287 /nfs/dbraw/zinc/66/72/87/776667287.db2.gz YEYNYMINTDCTNY-APPZFPTMSA-N 1 2 297.315 -2.224 20 0 CAADLO Cn1c(C(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C[C@@H]2O)c[nH]c1=O ZINC001090491182 776667291 /nfs/dbraw/zinc/66/72/91/776667291.db2.gz YEYNYMINTDCTNY-APPZFPTMSA-N 1 2 297.315 -2.224 20 0 CAADLO Cn1[nH]c(C[NH2+]CCNC(=O)[C@@H]2CCC(=O)NC2)nc1=O ZINC001130702569 776669107 /nfs/dbraw/zinc/66/91/07/776669107.db2.gz QTOWXNCTBRQPKW-MRVPVSSYSA-N 1 2 296.331 -2.160 20 0 CAADLO CC(C)n1nnnc1C[NH2+]CCNC(=O)c1cn[nH]n1 ZINC001130742909 776670257 /nfs/dbraw/zinc/67/02/57/776670257.db2.gz KTTJBVFBKOQCKK-UHFFFAOYSA-N 1 2 279.308 -1.108 20 0 CAADLO O=C(C[NH2+]CCNC(=O)c1cnn[nH]1)Nc1nncs1 ZINC001130745656 776670298 /nfs/dbraw/zinc/67/02/98/776670298.db2.gz HEZWGYPHEYAPNI-UHFFFAOYSA-N 1 2 296.316 -1.386 20 0 CAADLO C[C@@H]([NH2+]CCNC(=O)c1cn[nH]n1)c1nnnn1C ZINC001130745561 776670474 /nfs/dbraw/zinc/67/04/74/776670474.db2.gz CAMSSOAFRWGFCW-ZCFIWIBFSA-N 1 2 265.281 -1.591 20 0 CAADLO Cn1[nH]c(C[NH2+]CCNC(=O)c2cn[nH]n2)nc1=O ZINC001130745677 776670677 /nfs/dbraw/zinc/67/06/77/776670677.db2.gz IJTGYIPOFOPAAX-UHFFFAOYSA-N 1 2 266.265 -2.254 20 0 CAADLO Cn1[nH]c(C[NH2+]CCNC(=O)c2cnn[nH]2)nc1=O ZINC001130745677 776670684 /nfs/dbraw/zinc/67/06/84/776670684.db2.gz IJTGYIPOFOPAAX-UHFFFAOYSA-N 1 2 266.265 -2.254 20 0 CAADLO CNC(=O)C[NH2+]CCNC(=O)c1[nH]nc2c1CCC2 ZINC001130733860 776671200 /nfs/dbraw/zinc/67/12/00/776671200.db2.gz CAQVJMVPTBAENI-UHFFFAOYSA-N 1 2 265.317 -1.036 20 0 CAADLO NC(=O)NC(=O)C[NH2+]CCNC(=O)c1[nH]nc2c1CCC2 ZINC001130734327 776671343 /nfs/dbraw/zinc/67/13/43/776671343.db2.gz NDENKROUYQRDDW-UHFFFAOYSA-N 1 2 294.315 -1.587 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2nnn(C)n2)[C@@H](O)C1 ZINC001090497088 776680334 /nfs/dbraw/zinc/68/03/34/776680334.db2.gz UWUMFDDLDBBSIM-SFYZADRCSA-N 1 2 297.319 -2.879 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2nnn(C)n2)[C@@H](O)C1 ZINC001090497088 776680344 /nfs/dbraw/zinc/68/03/44/776680344.db2.gz UWUMFDDLDBBSIM-SFYZADRCSA-N 1 2 297.319 -2.879 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2nnn(C)n2)[C@@H](O)C1 ZINC001090497089 776680741 /nfs/dbraw/zinc/68/07/41/776680741.db2.gz UWUMFDDLDBBSIM-YUMQZZPRSA-N 1 2 297.319 -2.879 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)c2nnn(C)n2)[C@@H](O)C1 ZINC001090497089 776680743 /nfs/dbraw/zinc/68/07/43/776680743.db2.gz UWUMFDDLDBBSIM-YUMQZZPRSA-N 1 2 297.319 -2.879 20 0 CAADLO O=C(NCC[NH2+]Cc1cnon1)[C@H]1CCS(=O)(=O)C1 ZINC001130998015 776681951 /nfs/dbraw/zinc/68/19/51/776681951.db2.gz HPDWHEDEHLKTFM-QMMMGPOBSA-N 1 2 288.329 -1.290 20 0 CAADLO Cn1nnc(C(=O)N[C@@H]2CC[N@H+](CC(N)=O)C[C@H]2O)n1 ZINC001090497612 776683828 /nfs/dbraw/zinc/68/38/28/776683828.db2.gz WKHOQJLFGHDSIL-RNFRBKRXSA-N 1 2 283.292 -3.140 20 0 CAADLO Cn1nnc(C(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C[C@H]2O)n1 ZINC001090497612 776683834 /nfs/dbraw/zinc/68/38/34/776683834.db2.gz WKHOQJLFGHDSIL-RNFRBKRXSA-N 1 2 283.292 -3.140 20 0 CAADLO Cn1nnc(C(=O)N[C@@H]2CC[N@H+](CCF)C[C@H]2O)n1 ZINC001090498336 776687096 /nfs/dbraw/zinc/68/70/96/776687096.db2.gz ZXPVXQNVYHSCBZ-HTQZYQBOSA-N 1 2 272.284 -1.655 20 0 CAADLO Cn1nnc(C(=O)N[C@@H]2CC[N@@H+](CCF)C[C@H]2O)n1 ZINC001090498336 776687103 /nfs/dbraw/zinc/68/71/03/776687103.db2.gz ZXPVXQNVYHSCBZ-HTQZYQBOSA-N 1 2 272.284 -1.655 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)[C@@H](O)C1 ZINC001090498684 776688023 /nfs/dbraw/zinc/68/80/23/776688023.db2.gz DQQWWPAKBKBXFE-VGDATSSVSA-N 1 2 297.355 -1.824 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)[C@@H](O)C1 ZINC001090498684 776688025 /nfs/dbraw/zinc/68/80/25/776688025.db2.gz DQQWWPAKBKBXFE-VGDATSSVSA-N 1 2 297.355 -1.824 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)[C@H](O)C1 ZINC001090498867 776688163 /nfs/dbraw/zinc/68/81/63/776688163.db2.gz DWDVSNARGRQPNB-KNDBQHFLSA-N 1 2 283.328 -2.085 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)[C@H](O)C1 ZINC001090498867 776688167 /nfs/dbraw/zinc/68/81/67/776688167.db2.gz DWDVSNARGRQPNB-KNDBQHFLSA-N 1 2 283.328 -2.085 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)[C@@H](O)C1 ZINC001090498682 776688177 /nfs/dbraw/zinc/68/81/77/776688177.db2.gz DQQWWPAKBKBXFE-OQEOFVATSA-N 1 2 297.355 -1.824 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)[C@@H](O)C1 ZINC001090498682 776688183 /nfs/dbraw/zinc/68/81/83/776688183.db2.gz DQQWWPAKBKBXFE-OQEOFVATSA-N 1 2 297.355 -1.824 20 0 CAADLO Cn1[nH]c(C[NH2+]CCNC(=O)CCc2ccon2)nc1=O ZINC001131344419 776689860 /nfs/dbraw/zinc/68/98/60/776689860.db2.gz BMZSEGPBQBNUFZ-UHFFFAOYSA-N 1 2 294.315 -1.065 20 0 CAADLO CCOCC(=O)N1CCC(=O)NCC[N@@H+](CCO)CC1 ZINC001131331223 776689990 /nfs/dbraw/zinc/68/99/90/776689990.db2.gz CBVAAHANINPFCE-UHFFFAOYSA-N 1 2 287.360 -1.334 20 0 CAADLO CCOCC(=O)N1CCC(=O)NCC[N@H+](CCO)CC1 ZINC001131331223 776689993 /nfs/dbraw/zinc/68/99/93/776689993.db2.gz CBVAAHANINPFCE-UHFFFAOYSA-N 1 2 287.360 -1.334 20 0 CAADLO Cc1cnn(C)c1C(=O)N[C@@H]1CC[N@H+](CC(N)=O)C[C@@H]1O ZINC001090500400 776691786 /nfs/dbraw/zinc/69/17/86/776691786.db2.gz OBRHKTULHNLFKE-ZJUUUORDSA-N 1 2 295.343 -1.621 20 0 CAADLO Cc1cnn(C)c1C(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C[C@@H]1O ZINC001090500400 776691791 /nfs/dbraw/zinc/69/17/91/776691791.db2.gz OBRHKTULHNLFKE-ZJUUUORDSA-N 1 2 295.343 -1.621 20 0 CAADLO Cc1c[nH+]cn1CC(=O)NCC[NH2+]Cc1n[nH]c(=O)[n-]1 ZINC001131380388 776692310 /nfs/dbraw/zinc/69/23/10/776692310.db2.gz KPWNHTYFJIAGIN-UHFFFAOYSA-N 1 2 279.304 -1.079 20 0 CAADLO C[C@@H]1CO[C@@H](C(=O)NCC[NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001131527490 776693974 /nfs/dbraw/zinc/69/39/74/776693974.db2.gz VFDAKZINWXSHAW-DTWKUNHWSA-N 1 2 283.332 -1.261 20 0 CAADLO Cn1cc(C(=O)NCC[NH2+]Cc2cnon2)ncc1=O ZINC001131539056 776694679 /nfs/dbraw/zinc/69/46/79/776694679.db2.gz HPZIPQMMIROWOI-UHFFFAOYSA-N 1 2 278.272 -1.317 20 0 CAADLO Cn1ccnc1CCC(=O)NCC[NH2+]Cc1nnnn1C ZINC001131639178 776697140 /nfs/dbraw/zinc/69/71/40/776697140.db2.gz ARQIMPLMRSIQCZ-UHFFFAOYSA-N 1 2 292.347 -1.218 20 0 CAADLO Cn1[nH]c(C[NH2+]CCNC(=O)[C@]2(C)CNC(=O)C2)nc1=O ZINC001131677182 776701099 /nfs/dbraw/zinc/70/10/99/776701099.db2.gz PVMLWDGDNBDSIF-LBPRGKRZSA-N 1 2 296.331 -2.160 20 0 CAADLO COCC(=O)N[C@@H]1CC[C@H](C)[N@H+](CC(=O)NC(N)=O)C1 ZINC001131726734 776701124 /nfs/dbraw/zinc/70/11/24/776701124.db2.gz UWTSBTNIOJRKJJ-DTWKUNHWSA-N 1 2 286.332 -1.203 20 0 CAADLO COCC(=O)N[C@@H]1CC[C@H](C)[N@@H+](CC(=O)NC(N)=O)C1 ZINC001131726734 776701131 /nfs/dbraw/zinc/70/11/31/776701131.db2.gz UWTSBTNIOJRKJJ-DTWKUNHWSA-N 1 2 286.332 -1.203 20 0 CAADLO Cn1[nH]c(C[NH2+]CCNC(=O)COCC(F)F)nc1=O ZINC001131765924 776701760 /nfs/dbraw/zinc/70/17/60/776701760.db2.gz QTYCMZVYDJUDTO-UHFFFAOYSA-N 1 2 293.274 -1.404 20 0 CAADLO C[C@H]1CC[C@@H](NC(=O)C(C)(C)C(N)=O)C[N@@H+]1CC(N)=O ZINC001132119456 776712938 /nfs/dbraw/zinc/71/29/38/776712938.db2.gz CBUMIQZRDHCSQM-DTWKUNHWSA-N 1 2 284.360 -1.048 20 0 CAADLO C[C@H]1CC[C@@H](NC(=O)C(C)(C)C(N)=O)C[N@H+]1CC(N)=O ZINC001132119456 776712946 /nfs/dbraw/zinc/71/29/46/776712946.db2.gz CBUMIQZRDHCSQM-DTWKUNHWSA-N 1 2 284.360 -1.048 20 0 CAADLO C[C@H]1CC[C@H](NC(=O)C(C)(C)C(N)=O)C[N@@H+]1CC(N)=O ZINC001132119457 776714055 /nfs/dbraw/zinc/71/40/55/776714055.db2.gz CBUMIQZRDHCSQM-IUCAKERBSA-N 1 2 284.360 -1.048 20 0 CAADLO C[C@H]1CC[C@H](NC(=O)C(C)(C)C(N)=O)C[N@H+]1CC(N)=O ZINC001132119457 776714062 /nfs/dbraw/zinc/71/40/62/776714062.db2.gz CBUMIQZRDHCSQM-IUCAKERBSA-N 1 2 284.360 -1.048 20 0 CAADLO Cn1[nH]c(C[NH2+]CCNC(=O)CCn2ccnc2)nc1=O ZINC001132079857 776714209 /nfs/dbraw/zinc/71/42/09/776714209.db2.gz PSWQENPHTWBZEN-UHFFFAOYSA-N 1 2 293.331 -1.399 20 0 CAADLO C[C@H]1CC[C@H](NC(=O)C(N)=O)C[N@@H+]1CC(=O)NC(N)=O ZINC001132253228 776716753 /nfs/dbraw/zinc/71/67/53/776716753.db2.gz QHNLTPPBLUCMOZ-BQBZGAKWSA-N 1 2 285.304 -2.364 20 0 CAADLO C[C@H]1CC[C@H](NC(=O)C(N)=O)C[N@H+]1CC(=O)NC(N)=O ZINC001132253228 776716755 /nfs/dbraw/zinc/71/67/55/776716755.db2.gz QHNLTPPBLUCMOZ-BQBZGAKWSA-N 1 2 285.304 -2.364 20 0 CAADLO CCN(C)C(=O)C[N@@H+]1C[C@H](NC(=O)C(N)=O)CC[C@@H]1C ZINC001132252426 776716885 /nfs/dbraw/zinc/71/68/85/776716885.db2.gz FDJGOZFGZQBEBR-VHSXEESVSA-N 1 2 284.360 -1.081 20 0 CAADLO CCN(C)C(=O)C[N@H+]1C[C@H](NC(=O)C(N)=O)CC[C@@H]1C ZINC001132252426 776716890 /nfs/dbraw/zinc/71/68/90/776716890.db2.gz FDJGOZFGZQBEBR-VHSXEESVSA-N 1 2 284.360 -1.081 20 0 CAADLO C[C@H]1CC[C@@H](NC(=O)C(N)=O)C[N@@H+]1CC(=O)NCC1CC1 ZINC001132252736 776718134 /nfs/dbraw/zinc/71/81/34/776718134.db2.gz JKJMGIXNLZMEJA-GXSJLCMTSA-N 1 2 296.371 -1.033 20 0 CAADLO C[C@H]1CC[C@@H](NC(=O)C(N)=O)C[N@H+]1CC(=O)NCC1CC1 ZINC001132252736 776718137 /nfs/dbraw/zinc/71/81/37/776718137.db2.gz JKJMGIXNLZMEJA-GXSJLCMTSA-N 1 2 296.371 -1.033 20 0 CAADLO C[C@@H]1CC[C@@H](NC(=O)C2(C(N)=O)CC2)C[N@@H+]1CC(N)=O ZINC001132261912 776718922 /nfs/dbraw/zinc/71/89/22/776718922.db2.gz PTBCACBXEMXTEP-RKDXNWHRSA-N 1 2 282.344 -1.294 20 0 CAADLO C[C@@H]1CC[C@@H](NC(=O)C2(C(N)=O)CC2)C[N@H+]1CC(N)=O ZINC001132261912 776718928 /nfs/dbraw/zinc/71/89/28/776718928.db2.gz PTBCACBXEMXTEP-RKDXNWHRSA-N 1 2 282.344 -1.294 20 0 CAADLO CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)C(N)=O)CC[C@@H]1C ZINC001132253782 776719888 /nfs/dbraw/zinc/71/98/88/776719888.db2.gz ZJUCJAOBCUHIOX-IUCAKERBSA-N 1 2 270.333 -1.423 20 0 CAADLO CCNC(=O)C[N@H+]1C[C@@H](NC(=O)C(N)=O)CC[C@@H]1C ZINC001132253782 776719896 /nfs/dbraw/zinc/71/98/96/776719896.db2.gz ZJUCJAOBCUHIOX-IUCAKERBSA-N 1 2 270.333 -1.423 20 0 CAADLO C[C@H]1CC[C@H](NC(=O)C2(C(N)=O)CC2)C[N@@H+]1CC(N)=O ZINC001132261910 776720035 /nfs/dbraw/zinc/72/00/35/776720035.db2.gz PTBCACBXEMXTEP-IUCAKERBSA-N 1 2 282.344 -1.294 20 0 CAADLO C[C@H]1CC[C@H](NC(=O)C2(C(N)=O)CC2)C[N@H+]1CC(N)=O ZINC001132261910 776720041 /nfs/dbraw/zinc/72/00/41/776720041.db2.gz PTBCACBXEMXTEP-IUCAKERBSA-N 1 2 282.344 -1.294 20 0 CAADLO O=C(CN1CCNC(=O)C1)NCC[NH2+]Cc1nncs1 ZINC001132320365 776722466 /nfs/dbraw/zinc/72/24/66/776722466.db2.gz ARZJQDNLBFGTMY-UHFFFAOYSA-N 1 2 298.372 -1.824 20 0 CAADLO CNC(=O)C1(C(=O)N[C@@H]2CC[C@@H](C)[N@H+](CC(N)=O)C2)CC1 ZINC001132348710 776726054 /nfs/dbraw/zinc/72/60/54/776726054.db2.gz QYZGTCIZUUNMQU-NXEZZACHSA-N 1 2 296.371 -1.033 20 0 CAADLO CNC(=O)C1(C(=O)N[C@@H]2CC[C@@H](C)[N@@H+](CC(N)=O)C2)CC1 ZINC001132348710 776726058 /nfs/dbraw/zinc/72/60/58/776726058.db2.gz QYZGTCIZUUNMQU-NXEZZACHSA-N 1 2 296.371 -1.033 20 0 CAADLO Cc1nonc1C[NH2+]CCNC(=O)[C@@H]1CCNC1=O ZINC001132355726 776726956 /nfs/dbraw/zinc/72/69/56/776726956.db2.gz IWODFEATQVMDIT-MRVPVSSYSA-N 1 2 267.289 -1.280 20 0 CAADLO Cc1nonc1C[NH2+]CCNC(=O)[C@H]1CCNC1=O ZINC001132355727 776727045 /nfs/dbraw/zinc/72/70/45/776727045.db2.gz IWODFEATQVMDIT-QMMMGPOBSA-N 1 2 267.289 -1.280 20 0 CAADLO NC(=O)[C@H]1CC[C@H]1C(=O)NCC[NH2+]Cc1cnon1 ZINC001132363822 776727584 /nfs/dbraw/zinc/72/75/84/776727584.db2.gz ZGFODTMSVVVUND-DTWKUNHWSA-N 1 2 267.289 -1.213 20 0 CAADLO COCc1noc(C[NH2+]CCNC(=O)[C@H](C)CC(N)=O)n1 ZINC001132350779 776727701 /nfs/dbraw/zinc/72/77/01/776727701.db2.gz WTPIMIDQVKNRMS-MRVPVSSYSA-N 1 2 299.331 -1.067 20 0 CAADLO CN(C)c1noc(C[NH2+]CCNC(=O)[C@@H]2CCNC2=O)n1 ZINC001132356050 776729200 /nfs/dbraw/zinc/72/92/00/776729200.db2.gz PWWATAHTVLVTAX-MRVPVSSYSA-N 1 2 296.331 -1.523 20 0 CAADLO O=C(NCC[NH2+]Cc1cnsn1)[C@@H]1CCNC1=O ZINC001132358645 776729337 /nfs/dbraw/zinc/72/93/37/776729337.db2.gz GULVUOXCKLDJNV-MRVPVSSYSA-N 1 2 269.330 -1.120 20 0 CAADLO Cc1nnc(C[NH2+]CCNC(=O)[C@H]2CCNC2=O)o1 ZINC001132359135 776731480 /nfs/dbraw/zinc/73/14/80/776731480.db2.gz MQFAZGKBYNNZSN-QMMMGPOBSA-N 1 2 267.289 -1.280 20 0 CAADLO CN1C[C@@H](C(=O)NCC[NH2+]Cc2nc(=O)n(C)[nH]2)NC1=O ZINC001132382551 776736896 /nfs/dbraw/zinc/73/68/96/776736896.db2.gz MXRPNHPCJLLPLU-ZETCQYMHSA-N 1 2 297.319 -2.662 20 0 CAADLO Cc1noc(C[NH2+]CCNC(=O)[C@@H]2CN(C)C(=O)N2)n1 ZINC001132381994 776737383 /nfs/dbraw/zinc/73/73/83/776737383.db2.gz AHAFYIBKKARGFJ-QMMMGPOBSA-N 1 2 282.304 -1.393 20 0 CAADLO CN1C[C@@H](C(=O)NCC[NH2+]Cc2ncccn2)NC1=O ZINC001132383090 776738950 /nfs/dbraw/zinc/73/89/50/776738950.db2.gz XJLHIJWLKDUBOG-VIFPVBQESA-N 1 2 278.316 -1.294 20 0 CAADLO COCc1noc(C[NH2+]CCNC(=O)c2nnn(C)n2)n1 ZINC001132523559 776739755 /nfs/dbraw/zinc/73/97/55/776739755.db2.gz OCZHXUVAKHRZFP-UHFFFAOYSA-N 1 2 296.291 -1.741 20 0 CAADLO Cn1nnc(C(=O)NCC[NH2+]Cc2csnn2)n1 ZINC001132523582 776739993 /nfs/dbraw/zinc/73/99/93/776739993.db2.gz PDNYZBRPXBWNER-UHFFFAOYSA-N 1 2 268.306 -1.419 20 0 CAADLO Cn1nnc(C(=O)NCC[NH2+]Cc2nc(=O)n(C)[nH]2)n1 ZINC001132523505 776740493 /nfs/dbraw/zinc/74/04/93/776740493.db2.gz MDTMUMGNHYVJIA-UHFFFAOYSA-N 1 2 281.280 -2.849 20 0 CAADLO CN(C)c1noc(C[NH2+]CCNC(=O)c2nnn(C)n2)n1 ZINC001132523785 776741609 /nfs/dbraw/zinc/74/16/09/776741609.db2.gz YTNLFYUMIPZPHZ-UHFFFAOYSA-N 1 2 295.307 -1.821 20 0 CAADLO CCc1nnc(C[NH2+]CCNC(=O)c2nnn(C)n2)o1 ZINC001132523771 776741699 /nfs/dbraw/zinc/74/16/99/776741699.db2.gz YHTQDPBGIFCKLD-UHFFFAOYSA-N 1 2 280.292 -1.325 20 0 CAADLO CCc1noc(C[NH2+]CCNC(=O)c2nnn(C)n2)n1 ZINC001132527018 776742089 /nfs/dbraw/zinc/74/20/89/776742089.db2.gz JYLCLSSNMWIHPM-UHFFFAOYSA-N 1 2 280.292 -1.325 20 0 CAADLO CN1C(=O)CC[C@H]1C(=O)NCC[NH2+]Cc1cnon1 ZINC001132528616 776743241 /nfs/dbraw/zinc/74/32/41/776743241.db2.gz QDZYGZBNTDTREH-VIFPVBQESA-N 1 2 267.289 -1.104 20 0 CAADLO Cn1[nH]c(C[NH2+]CCNC(=O)[C@H]2[C@@H]3COC[C@@H]32)nc1=O ZINC001132605461 776744513 /nfs/dbraw/zinc/74/45/13/776744513.db2.gz QNAJGZWCYIDOMT-MBTKJCJQSA-N 1 2 281.316 -1.793 20 0 CAADLO Cc1cnn(C)c1C(=O)NCC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001132548776 776744924 /nfs/dbraw/zinc/74/49/24/776744924.db2.gz UAPKQMHBCPIBAV-UHFFFAOYSA-N 1 2 293.331 -1.330 20 0 CAADLO Cn1[nH]c(C[NH2+]CCNC(=O)c2csc(=O)[nH]2)nc1=O ZINC001132644020 776748251 /nfs/dbraw/zinc/74/82/51/776748251.db2.gz SJQXDGPZIMGEHP-UHFFFAOYSA-N 1 2 298.328 -1.210 20 0 CAADLO Cn1[nH]c(C[NH2+]CCNC(=O)[C@H]2CCC(=O)N2C)nc1=O ZINC001132762779 776751125 /nfs/dbraw/zinc/75/11/25/776751125.db2.gz QMWAUIMWDVTEKX-MRVPVSSYSA-N 1 2 296.331 -2.065 20 0 CAADLO Cc1ncc(C(=O)NCC[NH2+]Cc2nc(=O)n(C)[nH]2)n1C ZINC001132893034 776754334 /nfs/dbraw/zinc/75/43/34/776754334.db2.gz HOIBFFVLRNLTJU-UHFFFAOYSA-N 1 2 293.331 -1.330 20 0 CAADLO O=C(NCC[NH2+]Cc1csnn1)[C@H]1CNC(=O)N1 ZINC001133111681 776759071 /nfs/dbraw/zinc/75/90/71/776759071.db2.gz LAFFZGBAKJZXCG-SSDOTTSWSA-N 1 2 270.318 -1.575 20 0 CAADLO O=C(NCC[NH2+]Cc1nc(C2CC2)no1)[C@H]1CNC(=O)N1 ZINC001133111642 776759136 /nfs/dbraw/zinc/75/91/36/776759136.db2.gz JOBFAPHCJPOKFU-MRVPVSSYSA-N 1 2 294.315 -1.166 20 0 CAADLO O=C(NCC[NH2+]Cc1csnn1)[C@@H]1CNC(=O)N1 ZINC001133111682 776759196 /nfs/dbraw/zinc/75/91/96/776759196.db2.gz LAFFZGBAKJZXCG-ZETCQYMHSA-N 1 2 270.318 -1.575 20 0 CAADLO Cc1nonc1C[NH2+]CCNC(=O)[C@H]1CNC(=O)N1 ZINC001133111787 776759229 /nfs/dbraw/zinc/75/92/29/776759229.db2.gz OCMVKCKFSNXICA-MRVPVSSYSA-N 1 2 268.277 -1.735 20 0 CAADLO Cc1nnc([C@@H](C)[NH2+]CCNC(=O)[C@H]2CNC(=O)N2)o1 ZINC001133115534 776761673 /nfs/dbraw/zinc/76/16/73/776761673.db2.gz PDLMLDUEBNPMDC-HTRCEHHLSA-N 1 2 282.304 -1.174 20 0 CAADLO CCc1noc(C[NH2+]CCNC(=O)[C@@H]2CNC(=O)N2)n1 ZINC001133115863 776762084 /nfs/dbraw/zinc/76/20/84/776762084.db2.gz SJQLFXGRFNVYBK-ZETCQYMHSA-N 1 2 282.304 -1.481 20 0 CAADLO Cn1[nH]c(C[NH2+]CCNC(=O)[C@H]2CNC(=O)N2)nc1=O ZINC001133128659 776764831 /nfs/dbraw/zinc/76/48/31/776764831.db2.gz JZKZDNDCGUIJJJ-ZCFIWIBFSA-N 1 2 283.292 -3.004 20 0 CAADLO CN(C)c1noc(C[NH2+]CCNC(=O)[C@H]2CNC(=O)N2)n1 ZINC001133129433 776765929 /nfs/dbraw/zinc/76/59/29/776765929.db2.gz YKJKMJKIPGYCTG-SSDOTTSWSA-N 1 2 297.319 -1.977 20 0 CAADLO Cc1noc(C[NH2+]CCNC(=O)C2(C(N)=O)CC2)n1 ZINC001133185156 776767064 /nfs/dbraw/zinc/76/70/64/776767064.db2.gz WWCVMPBQSCMBFP-UHFFFAOYSA-N 1 2 267.289 -1.151 20 0 CAADLO COCc1noc(C[NH2+]CCNC(=O)C2(C(N)=O)CC2)n1 ZINC001133184971 776767719 /nfs/dbraw/zinc/76/77/19/776767719.db2.gz OBGGRQHGMYNTRA-UHFFFAOYSA-N 1 2 297.315 -1.313 20 0 CAADLO NC(=O)C1(C(=O)NCC[NH2+]Cc2cnon2)CC1 ZINC001133188264 776768668 /nfs/dbraw/zinc/76/86/68/776768668.db2.gz SJNQMTDSCIBYBF-UHFFFAOYSA-N 1 2 253.262 -1.459 20 0 CAADLO C[C@@H]([NH2+]CCNC(=O)C(N)=O)c1nnnn1C1CC1 ZINC001133196890 776770754 /nfs/dbraw/zinc/77/07/54/776770754.db2.gz VOUIYWBABJJZBL-ZCFIWIBFSA-N 1 2 267.293 -1.740 20 0 CAADLO C[C@H]([NH2+]CCNC(=O)C(N)=O)c1nnnn1C1CC1 ZINC001133196888 776771660 /nfs/dbraw/zinc/77/16/60/776771660.db2.gz VOUIYWBABJJZBL-LURJTMIESA-N 1 2 267.293 -1.740 20 0 CAADLO CC(C)(C)n1nnnc1C[NH2+]CCNC(=O)C(N)=O ZINC001133206086 776772026 /nfs/dbraw/zinc/77/20/26/776772026.db2.gz GFIRMQPONRHTME-UHFFFAOYSA-N 1 2 269.309 -1.881 20 0 CAADLO NC(=O)C(=O)NCC[NH2+]Cc1ncnn1CC(F)F ZINC001133205938 776772722 /nfs/dbraw/zinc/77/27/22/776772722.db2.gz DGEWGZJKUBMKGR-UHFFFAOYSA-N 1 2 276.247 -1.766 20 0 CAADLO NC(=O)C(=O)NCC[NH2+]Cc1nnnn1C1CC1 ZINC001133206331 776772754 /nfs/dbraw/zinc/77/27/54/776772754.db2.gz LZUQVSUKMNYSFF-UHFFFAOYSA-N 1 2 253.266 -2.301 20 0 CAADLO Cn1c(C[NH2+]CCNC(=O)C(N)=O)nnc1C1CC1 ZINC001133206222 776772762 /nfs/dbraw/zinc/77/27/62/776772762.db2.gz KUHBVIVRRWFUBD-UHFFFAOYSA-N 1 2 266.305 -1.616 20 0 CAADLO CO[C@H](C(=O)NCC[NH2+]Cc1nc(=O)n(C)[nH]1)C(C)C ZINC001133341691 776775290 /nfs/dbraw/zinc/77/52/90/776775290.db2.gz CHJWFDBJFKNLHE-JTQLQIEISA-N 1 2 285.348 -1.015 20 0 CAADLO Cn1cc(C(=O)NCC[NH2+]Cc2nc(=O)n(C)[nH]2)[nH]c1=O ZINC001133335492 776775627 /nfs/dbraw/zinc/77/56/27/776775627.db2.gz WYGFCJXGLACDFM-UHFFFAOYSA-N 1 2 295.303 -1.933 20 0 CAADLO O=C(NCC[NH2+]CCN1CCNC1=O)c1[nH]ncc1F ZINC001133471442 776777827 /nfs/dbraw/zinc/77/78/27/776777827.db2.gz XYOIRVXPUFOBRO-UHFFFAOYSA-N 1 2 284.295 -1.107 20 0 CAADLO O=C(NCC[NH2+]CCN1C(=O)CNC1=O)c1[nH]ncc1F ZINC001133470821 776778190 /nfs/dbraw/zinc/77/81/90/776778190.db2.gz OATQSPZTHJTNHS-UHFFFAOYSA-N 1 2 298.278 -1.580 20 0 CAADLO C[C@@H]1COCC[C@H]1C(=O)NCC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001133496375 776779784 /nfs/dbraw/zinc/77/97/84/776779784.db2.gz JGFXYQFLNGRGMT-NXEZZACHSA-N 1 2 297.359 -1.013 20 0 CAADLO Cc1noc(C[NH2+]CCNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)n1 ZINC001133770655 776786295 /nfs/dbraw/zinc/78/62/95/776786295.db2.gz CKPBDJRSMHUFDD-DTWKUNHWSA-N 1 2 297.315 -1.383 20 0 CAADLO Cn1[nH]c(C[NH2+]CCNC(=O)[C@]2(C)CCNC2=O)nc1=O ZINC001133754649 776787149 /nfs/dbraw/zinc/78/71/49/776787149.db2.gz VXSJJPWVTVCMPO-GFCCVEGCSA-N 1 2 296.331 -2.160 20 0 CAADLO NC(=O)[C@@H]1CC[C@H](C(=O)NCC[NH2+]Cc2nncs2)O1 ZINC001133776946 776787735 /nfs/dbraw/zinc/78/77/35/776787735.db2.gz PTGMNTYGKWPSRJ-JGVFFNPUSA-N 1 2 299.356 -1.223 20 0 CAADLO NC(=O)[C@@H]1CC[C@H](C(=O)NCC[NH2+]Cc2cnon2)O1 ZINC001133774141 776787934 /nfs/dbraw/zinc/78/79/34/776787934.db2.gz RCECJCDDXWPDRG-DTWKUNHWSA-N 1 2 283.288 -1.692 20 0 CAADLO C[C@]1(C(=O)NCC[NH2+]Cc2cnon2)CCNC1=O ZINC001133766628 776788373 /nfs/dbraw/zinc/78/83/73/776788373.db2.gz JGQIWBNIDHXYGE-NSHDSACASA-N 1 2 267.289 -1.198 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cc2cnoc2)[C@H](O)C1 ZINC001090514786 776796622 /nfs/dbraw/zinc/79/66/22/776796622.db2.gz PLXWIQPRGQCMPB-GHMZBOCLSA-N 1 2 296.327 -1.486 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)Cc2cnoc2)[C@H](O)C1 ZINC001090514786 776796632 /nfs/dbraw/zinc/79/66/32/776796632.db2.gz PLXWIQPRGQCMPB-GHMZBOCLSA-N 1 2 296.327 -1.486 20 0 CAADLO Cc1nnc(C[NH2+]CCNC(=O)[C@H]2C[C@H]2C(N)=O)o1 ZINC001133943297 776797240 /nfs/dbraw/zinc/79/72/40/776797240.db2.gz NGLOGZPJXBGDMO-SFYZADRCSA-N 1 2 267.289 -1.295 20 0 CAADLO CCc1nnc(C[NH2+]CCNC(=O)[C@H]2C[C@H]2C(N)=O)o1 ZINC001133943647 776798122 /nfs/dbraw/zinc/79/81/22/776798122.db2.gz PXIOVGRGDKUYFR-SFYZADRCSA-N 1 2 281.316 -1.041 20 0 CAADLO C[C@H]([NH2+]CCNC(=O)CCc1cn[nH]n1)c1nnnn1C ZINC001134016918 776800396 /nfs/dbraw/zinc/80/03/96/776800396.db2.gz XQVAIGQXJVFZLA-QMMMGPOBSA-N 1 2 293.335 -1.272 20 0 CAADLO C[C@@H]([NH2+]CCCNC(=O)Cc1nnc[nH]1)c1nnnn1C ZINC001170717086 776800541 /nfs/dbraw/zinc/80/05/41/776800541.db2.gz DVNNXQIXHBKGFO-MRVPVSSYSA-N 1 2 293.335 -1.272 20 0 CAADLO Cn1ncnc1C[NH2+]CCNC(=O)CCc1cn[nH]n1 ZINC001134014333 776802843 /nfs/dbraw/zinc/80/28/43/776802843.db2.gz RTOVURRNDDNUBH-UHFFFAOYSA-N 1 2 278.320 -1.228 20 0 CAADLO Cn1ncnc1C[NH2+]CCNC(=O)CCc1c[nH]nn1 ZINC001134014333 776802852 /nfs/dbraw/zinc/80/28/52/776802852.db2.gz RTOVURRNDDNUBH-UHFFFAOYSA-N 1 2 278.320 -1.228 20 0 CAADLO Cn1ncnc1C[NH2+]CCCNC(=O)Cc1nnc[nH]1 ZINC001170717349 776803186 /nfs/dbraw/zinc/80/31/86/776803186.db2.gz NWCPAHAURQLQCJ-UHFFFAOYSA-N 1 2 278.320 -1.228 20 0 CAADLO CC[C@@H](NC(C)=O)C(=O)NCC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001134168897 776808422 /nfs/dbraw/zinc/80/84/22/776808422.db2.gz XMOLYUBZLHUWMO-SECBINFHSA-N 1 2 298.347 -1.771 20 0 CAADLO C[C@@H](NS(C)(=O)=O)C(=O)NCC[NH2+]Cc1cnon1 ZINC001134352826 776811945 /nfs/dbraw/zinc/81/19/45/776811945.db2.gz OFGCCMANRUUKDD-SSDOTTSWSA-N 1 2 291.333 -1.787 20 0 CAADLO Cc1cnc(C[NH2+]CCNC(=O)[C@@H]2CC(=O)NC(=O)N2)o1 ZINC001134461691 776816203 /nfs/dbraw/zinc/81/62/03/776816203.db2.gz YGEMNENRLOSCCI-QMMMGPOBSA-N 1 2 295.299 -1.213 20 0 CAADLO O=C(NCC[NH2+]Cc1csnn1)[C@@H]1CC(=O)NC(=O)N1 ZINC001134460860 776817615 /nfs/dbraw/zinc/81/76/15/776817615.db2.gz LSAFFUACCFKJIY-ZETCQYMHSA-N 1 2 298.328 -1.658 20 0 CAADLO O=C(NCC[NH2+]Cc1ncccn1)[C@@H]1CC(=O)NC(=O)N1 ZINC001134460606 776818024 /nfs/dbraw/zinc/81/80/24/776818024.db2.gz FUBCKJSJNNWQEA-QMMMGPOBSA-N 1 2 292.299 -1.720 20 0 CAADLO O=C(NCC[NH2+]Cc1cnsn1)[C@@H]1CC(=O)NC(=O)N1 ZINC001134456466 776818627 /nfs/dbraw/zinc/81/86/27/776818627.db2.gz VXNZRZGNRXBSLI-ZETCQYMHSA-N 1 2 298.328 -1.658 20 0 CAADLO Cc1ncc(C(=O)N[C@H]2CC[N@H+](CC(N)=O)C[C@@H]2O)n1C ZINC001090519963 776824547 /nfs/dbraw/zinc/82/45/47/776824547.db2.gz MPTHMLUYVUGKQJ-ONGXEEELSA-N 1 2 295.343 -1.621 20 0 CAADLO Cc1ncc(C(=O)N[C@H]2CC[N@@H+](CC(N)=O)C[C@@H]2O)n1C ZINC001090519963 776824554 /nfs/dbraw/zinc/82/45/54/776824554.db2.gz MPTHMLUYVUGKQJ-ONGXEEELSA-N 1 2 295.343 -1.621 20 0 CAADLO CCn1ccc(C(=O)NCC[NH2+]Cc2nc(=O)n(C)[nH]2)n1 ZINC001134769223 776826993 /nfs/dbraw/zinc/82/69/93/776826993.db2.gz IDINLLBYFVWLNX-UHFFFAOYSA-N 1 2 293.331 -1.156 20 0 CAADLO CC(=O)N[C@@H](CC(=O)NCC[NH2+]Cc1cnon1)C(N)=O ZINC001134829968 776829507 /nfs/dbraw/zinc/82/95/07/776829507.db2.gz UPBAZXMHRCNTFI-VIFPVBQESA-N 1 2 298.303 -2.345 20 0 CAADLO CN(C)C(=O)CC(=O)NCC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001134939467 776832178 /nfs/dbraw/zinc/83/21/78/776832178.db2.gz XZPQIKNRGRKLOU-UHFFFAOYSA-N 1 2 284.320 -2.208 20 0 CAADLO COCc1noc(C[NH2+]CCNC(=O)CC(=O)N(C)C)n1 ZINC001134938889 776833075 /nfs/dbraw/zinc/83/30/75/776833075.db2.gz KZTROASVHUQDGN-UHFFFAOYSA-N 1 2 299.331 -1.100 20 0 CAADLO Cn1[nH]c(C[NH2+]CCNC(=O)CCc2cn[nH]c2)nc1=O ZINC001135049988 776833981 /nfs/dbraw/zinc/83/39/81/776833981.db2.gz RKKAXJRCQRNGEK-UHFFFAOYSA-N 1 2 293.331 -1.330 20 0 CAADLO Cc1c[nH]c(C(=O)NCC[NH2+]Cc2nc(=O)n(C)[nH]2)n1 ZINC001135052266 776836311 /nfs/dbraw/zinc/83/63/11/776836311.db2.gz IVBZAKXVJOXYSF-UHFFFAOYSA-N 1 2 279.304 -1.340 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)c2c[nH]c(=O)cn2)[C@@H](O)C1 ZINC001090521597 776837416 /nfs/dbraw/zinc/83/74/16/776837416.db2.gz AFWSURFXLSTTCR-CBAPKCEASA-N 1 2 295.299 -2.580 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)c2c[nH]c(=O)cn2)[C@@H](O)C1 ZINC001090521597 776837421 /nfs/dbraw/zinc/83/74/21/776837421.db2.gz AFWSURFXLSTTCR-CBAPKCEASA-N 1 2 295.299 -2.580 20 0 CAADLO Cn1cc(C[NH2+][C@@H](CO)CNC(=O)[C@@H]2CCNC2=O)nn1 ZINC001283792665 777918319 /nfs/dbraw/zinc/91/83/19/777918319.db2.gz NGIYAYLRUAEZMS-NXEZZACHSA-N 1 2 296.331 -2.482 20 0 CAADLO Cc1nc(C[NH2+][C@H](CO)CNC(=O)C(N)=O)sc1C ZINC001283795364 777918368 /nfs/dbraw/zinc/91/83/68/777918368.db2.gz DYPVMZJFSUKKDH-QMMMGPOBSA-N 1 2 286.357 -1.188 20 0 CAADLO Cc1cnc(C[NH2+][C@@H](CO)CNC(=O)C(N)=O)s1 ZINC001283797048 777918531 /nfs/dbraw/zinc/91/85/31/777918531.db2.gz KXJXIJAWTATONN-SSDOTTSWSA-N 1 2 272.330 -1.496 20 0 CAADLO C[C@@H]1C[C@H]1C(=O)NCCC[NH+]1CCN(C(=O)C(N)=O)CC1 ZINC001283819979 777921340 /nfs/dbraw/zinc/92/13/40/777921340.db2.gz DMOAESSUWSOHRQ-GHMZBOCLSA-N 1 2 296.371 -1.222 20 0 CAADLO NC(=O)CC(=O)N[C@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001284085781 777927597 /nfs/dbraw/zinc/92/75/97/777927597.db2.gz KJIYUQDXRQODCW-DTORHVGOSA-N 1 2 279.300 -1.478 20 0 CAADLO C[C@@H](CNC(=O)[C@H]1CCc2c[nH+]cn2C1)NC(=O)C(N)=O ZINC001284268842 777933690 /nfs/dbraw/zinc/93/36/90/777933690.db2.gz PZSFMAZCDMWVQZ-IUCAKERBSA-N 1 2 293.327 -1.448 20 0 CAADLO COc1cc[nH+]cc1CC(=O)NC[C@@H](C)NC(=O)C(N)=O ZINC001284270489 777934290 /nfs/dbraw/zinc/93/42/90/777934290.db2.gz MIAKWPXJAIOOCE-MRVPVSSYSA-N 1 2 294.311 -1.261 20 0 CAADLO Cc1[nH+]c[nH]c1CC(=O)NC[C@@H](C)NC(=O)CC(N)=O ZINC001284296009 777934319 /nfs/dbraw/zinc/93/43/19/777934319.db2.gz WQSUEFDJBNQGQM-SSDOTTSWSA-N 1 2 281.316 -1.243 20 0 CAADLO NC(=O)C(=O)NC[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001284390233 777937759 /nfs/dbraw/zinc/93/77/59/777937759.db2.gz SUDFPURVDCXBSE-MRVPVSSYSA-N 1 2 279.300 -1.598 20 0 CAADLO NC(=O)C(=O)NC[C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001284377155 777938429 /nfs/dbraw/zinc/93/84/29/777938429.db2.gz BEJFJTWBVDFTLM-JTQLQIEISA-N 1 2 293.327 -1.277 20 0 CAADLO CCCc1noc(C[NH2+]C[C@@H](O)CN(C)C(=O)C(N)=O)n1 ZINC001284443774 777942491 /nfs/dbraw/zinc/94/24/91/777942491.db2.gz GCOKCKFVBVSPNU-MRVPVSSYSA-N 1 2 299.331 -1.584 20 0 CAADLO C[C@H]([NH2+]C[C@H](O)CN(C)C(=O)C(N)=O)c1csnn1 ZINC001284445287 777942745 /nfs/dbraw/zinc/94/27/45/777942745.db2.gz RIVOHKORAMBYGX-BQBZGAKWSA-N 1 2 287.345 -1.507 20 0 CAADLO Cc1noc([C@H](C)[N@H+](C)C[C@@H](O)CN(C)C(=O)C(N)=O)n1 ZINC001284510673 777948623 /nfs/dbraw/zinc/94/86/23/777948623.db2.gz YZLQPQRLJGXHQA-IONNQARKSA-N 1 2 299.331 -1.325 20 0 CAADLO Cc1noc([C@H](C)[N@@H+](C)C[C@@H](O)CN(C)C(=O)C(N)=O)n1 ZINC001284510673 777948630 /nfs/dbraw/zinc/94/86/30/777948630.db2.gz YZLQPQRLJGXHQA-IONNQARKSA-N 1 2 299.331 -1.325 20 0 CAADLO C[C@@H](c1ncccn1)[N@H+](C)C[C@@H](O)CN(C)C(=O)C(N)=O ZINC001284510224 777949013 /nfs/dbraw/zinc/94/90/13/777949013.db2.gz VQHZPULXHRDEIM-VHSXEESVSA-N 1 2 295.343 -1.226 20 0 CAADLO Cc1noc([C@H](C)[N@H+](C)C[C@H](O)CN(C)C(=O)C(N)=O)n1 ZINC001284510671 777948978 /nfs/dbraw/zinc/94/89/78/777948978.db2.gz YZLQPQRLJGXHQA-CBAPKCEASA-N 1 2 299.331 -1.325 20 0 CAADLO Cc1noc([C@H](C)[N@@H+](C)C[C@H](O)CN(C)C(=O)C(N)=O)n1 ZINC001284510671 777948981 /nfs/dbraw/zinc/94/89/81/777948981.db2.gz YZLQPQRLJGXHQA-CBAPKCEASA-N 1 2 299.331 -1.325 20 0 CAADLO C[C@@H](c1ncccn1)[N@@H+](C)C[C@@H](O)CN(C)C(=O)C(N)=O ZINC001284510224 777949017 /nfs/dbraw/zinc/94/90/17/777949017.db2.gz VQHZPULXHRDEIM-VHSXEESVSA-N 1 2 295.343 -1.226 20 0 CAADLO CN(C)C(=O)CC(=O)N(C)CCNC(=O)Cn1cc[nH+]c1 ZINC001284549053 777949769 /nfs/dbraw/zinc/94/97/69/777949769.db2.gz AEPIMZDRLATZHR-UHFFFAOYSA-N 1 2 295.343 -1.064 20 0 CAADLO CN(CCNC(=O)C(N)=O)C(=O)Cc1c[nH+]c[nH]1 ZINC001284581140 777951590 /nfs/dbraw/zinc/95/15/90/777951590.db2.gz ROPTWVCIWMHWBL-UHFFFAOYSA-N 1 2 253.262 -1.988 20 0 CAADLO CCN(CCNC(=O)CC(N)=O)C(=O)Cc1[nH]cc[nH+]1 ZINC001284605239 777953013 /nfs/dbraw/zinc/95/30/13/777953013.db2.gz CBOKTPIJQFWABF-UHFFFAOYSA-N 1 2 281.316 -1.208 20 0 CAADLO NC(=O)C(=O)NC[C@H]1CCCN1C(=O)Cn1cc[nH+]c1 ZINC001284687708 777954358 /nfs/dbraw/zinc/95/43/58/777954358.db2.gz CYJYNJUEIBJGJP-SECBINFHSA-N 1 2 279.300 -1.524 20 0 CAADLO CN(C[C@@H]1CCN(C(=O)C(N)=O)C1)C(=O)Cc1c[nH+]c[nH]1 ZINC001284839577 777957355 /nfs/dbraw/zinc/95/73/55/777957355.db2.gz DPYYTKNNYQSMEQ-VIFPVBQESA-N 1 2 293.327 -1.256 20 0 CAADLO Cn1cc[nH+]c1CCC(=O)N1CC(NC(=O)CC(N)=O)C1 ZINC001284894275 777960517 /nfs/dbraw/zinc/96/05/17/777960517.db2.gz IGQIFBDGCOZRRT-UHFFFAOYSA-N 1 2 293.327 -1.445 20 0 CAADLO NC(=O)C(=O)NCC1CN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001284989529 777964529 /nfs/dbraw/zinc/96/45/29/777964529.db2.gz NMMDWZYBJRILIU-UHFFFAOYSA-N 1 2 279.300 -1.598 20 0 CAADLO Cn1c[nH+]cc1CC(=O)NCC1CN(C(=O)CC(N)=O)C1 ZINC001284981739 777964788 /nfs/dbraw/zinc/96/47/88/777964788.db2.gz RHFNDTPGDIUJLV-UHFFFAOYSA-N 1 2 293.327 -1.587 20 0 CAADLO NC(=O)C(=O)NCC1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001284990473 777964805 /nfs/dbraw/zinc/96/48/05/777964805.db2.gz XZQHTJXIUANTQY-RKDXNWHRSA-N 1 2 291.311 -1.427 20 0 CAADLO NC(=O)C(=O)NCC1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001284990473 777964810 /nfs/dbraw/zinc/96/48/10/777964810.db2.gz XZQHTJXIUANTQY-RKDXNWHRSA-N 1 2 291.311 -1.427 20 0 CAADLO Cn1c[nH+]cc1CCC(=O)N1CC(CNC(=O)C(N)=O)C1 ZINC001284989954 777964828 /nfs/dbraw/zinc/96/48/28/777964828.db2.gz SJGIICSMIWESPB-UHFFFAOYSA-N 1 2 293.327 -1.587 20 0 CAADLO CCN(C(=O)Cn1cc[nH+]c1)[C@H]1CCN(C(=O)C(N)=O)C1 ZINC001285020451 777964897 /nfs/dbraw/zinc/96/48/97/777964897.db2.gz SPZMFPFMHYUIJG-JTQLQIEISA-N 1 2 293.327 -1.182 20 0 CAADLO CC[C@@H](CNC(=O)C(N)=O)NC(=O)CCc1c[nH+]cn1C ZINC001285092724 777966106 /nfs/dbraw/zinc/96/61/06/777966106.db2.gz JEVXRKFBRRDKMW-VIFPVBQESA-N 1 2 295.343 -1.151 20 0 CAADLO CC[C@@H](CNC(=O)C(N)=O)NC(=O)CCn1cc[nH+]c1 ZINC001285094768 777967355 /nfs/dbraw/zinc/96/73/55/777967355.db2.gz WIVSYCLJXWZSTA-VIFPVBQESA-N 1 2 281.316 -1.231 20 0 CAADLO C[C@@H](CNC(=O)CC(N)=O)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001285214306 777968167 /nfs/dbraw/zinc/96/81/67/777968167.db2.gz MPBCWJBDWNDRAL-MRVPVSSYSA-N 1 2 281.316 -1.304 20 0 CAADLO NC(=O)CC(=O)NCC1CC(NC(=O)Cn2cc[nH+]c2)C1 ZINC001285226789 777968755 /nfs/dbraw/zinc/96/87/55/777968755.db2.gz KUBHPWIOXFHORK-UHFFFAOYSA-N 1 2 293.327 -1.231 20 0 CAADLO NC(=O)C(=O)N1CCC[C@@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001285198056 777969191 /nfs/dbraw/zinc/96/91/91/777969191.db2.gz DFCPMVAYFAXDDZ-SECBINFHSA-N 1 2 279.300 -1.524 20 0 CAADLO C[C@H](CNC(=O)CCc1c[nH]c[nH+]1)CNC(=O)C(N)=O ZINC001285232023 777969791 /nfs/dbraw/zinc/96/97/91/777969791.db2.gz IELRHHFGWKSZCW-MRVPVSSYSA-N 1 2 281.316 -1.304 20 0 CAADLO C[C@H](CNC(=O)CCc1c[nH+]c[nH]1)CNC(=O)C(N)=O ZINC001285232023 777969795 /nfs/dbraw/zinc/96/97/95/777969795.db2.gz IELRHHFGWKSZCW-MRVPVSSYSA-N 1 2 281.316 -1.304 20 0 CAADLO NC(=O)CC(=O)NCC1CC(NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001285269782 777970034 /nfs/dbraw/zinc/97/00/34/777970034.db2.gz KVBPSTJUJWOLNW-UHFFFAOYSA-N 1 2 293.327 -1.161 20 0 CAADLO C[C@H](CNC(=O)Cc1c[nH]c[nH+]1)NC(=O)CC(N)=O ZINC001285632260 777981895 /nfs/dbraw/zinc/98/18/95/777981895.db2.gz WTDMMHBCXGKWHU-SSDOTTSWSA-N 1 2 267.289 -1.552 20 0 CAADLO C[C@H](CNC(=O)C(N)=O)NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001285662743 777983368 /nfs/dbraw/zinc/98/33/68/777983368.db2.gz CGXWUJQPXNOFBR-BDAKNGLRSA-N 1 2 293.327 -1.448 20 0 CAADLO C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)N(C)C(=O)C(N)=O ZINC001285720562 777985581 /nfs/dbraw/zinc/98/55/81/777985581.db2.gz CTBCURURFWXVBF-DJLDLDEBSA-N 1 2 293.327 -1.038 20 0 CAADLO C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)N(C)C(=O)C(N)=O ZINC001285720562 777985587 /nfs/dbraw/zinc/98/55/87/777985587.db2.gz CTBCURURFWXVBF-DJLDLDEBSA-N 1 2 293.327 -1.038 20 0 CAADLO C[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)N(C)C(=O)C(N)=O ZINC001285720563 777985911 /nfs/dbraw/zinc/98/59/11/777985911.db2.gz CTBCURURFWXVBF-IWSPIJDZSA-N 1 2 293.327 -1.038 20 0 CAADLO C[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)N(C)C(=O)C(N)=O ZINC001285720563 777985917 /nfs/dbraw/zinc/98/59/17/777985917.db2.gz CTBCURURFWXVBF-IWSPIJDZSA-N 1 2 293.327 -1.038 20 0 CAADLO C[C@@H](CNC(=O)C(N)=O)NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001285745071 777986079 /nfs/dbraw/zinc/98/60/79/777986079.db2.gz CGXWUJQPXNOFBR-DTWKUNHWSA-N 1 2 293.327 -1.448 20 0 CAADLO C[C@H](CNC(=O)CCn1cc[nH+]c1)N(C)C(=O)C(N)=O ZINC001285758253 777986918 /nfs/dbraw/zinc/98/69/18/777986918.db2.gz GIMAVAUDYFXWRG-SECBINFHSA-N 1 2 281.316 -1.278 20 0 CAADLO C[C@@H](CNC(=O)Cn1cc[nH+]c1)NC(=O)[C@H]1CCNC1=O ZINC001285762363 777986970 /nfs/dbraw/zinc/98/69/70/777986970.db2.gz XQOHGADZIKCZGV-UWVGGRQHSA-N 1 2 293.327 -1.360 20 0 CAADLO C[C@H](CNC(=O)CCc1c[nH+]cn1C)N(C)C(=O)C(N)=O ZINC001285776468 777987982 /nfs/dbraw/zinc/98/79/82/777987982.db2.gz COVZQLFYEMQOBT-SECBINFHSA-N 1 2 295.343 -1.199 20 0 CAADLO C[C@H](CNC(=O)C(N)=O)N(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001285830754 777989177 /nfs/dbraw/zinc/98/91/77/777989177.db2.gz RNIXSJFNWRQEKW-IWSPIJDZSA-N 1 2 293.327 -1.038 20 0 CAADLO C[C@H](CNC(=O)C(N)=O)N(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001285830754 777989181 /nfs/dbraw/zinc/98/91/81/777989181.db2.gz RNIXSJFNWRQEKW-IWSPIJDZSA-N 1 2 293.327 -1.038 20 0 CAADLO CNC(=O)CC(=O)N1CC[C@@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001285880168 777990635 /nfs/dbraw/zinc/99/06/35/777990635.db2.gz XIPMFWPMTXUSPI-SNVBAGLBSA-N 1 2 293.327 -1.264 20 0 CAADLO CN(C(=O)CCn1cc[nH+]c1)C1CN(C(=O)C(N)=O)C1 ZINC001286024697 777995886 /nfs/dbraw/zinc/99/58/86/777995886.db2.gz GJMUJWQVESANSV-UHFFFAOYSA-N 1 2 279.300 -1.572 20 0 CAADLO C[C@H](NC(=O)CC(N)=O)C1CN(C(=O)Cn2cc[nH+]c2)C1 ZINC001286189319 777998020 /nfs/dbraw/zinc/99/80/20/777998020.db2.gz RUTIJKGDMAAARP-VIFPVBQESA-N 1 2 293.327 -1.278 20 0 CAADLO C[C@H](NC(=O)Cc1c[nH]c[nH+]1)C1CN(C(=O)CC(N)=O)C1 ZINC001286216150 777999532 /nfs/dbraw/zinc/99/95/32/777999532.db2.gz QAROTAHERCBEKX-QMMMGPOBSA-N 1 2 293.327 -1.209 20 0 CAADLO C[C@H](CN(C)C(=O)C(N)=O)NC(=O)Cc1c[nH]c[nH+]1 ZINC001287704980 778003172 /nfs/dbraw/zinc/00/31/72/778003172.db2.gz COQHXMKBMBDRPA-SSDOTTSWSA-N 1 2 267.289 -1.599 20 0 CAADLO CCC(=O)NC[C@H](CO)NC(=O)Cc1c[nH+]cn1C ZINC001287731682 778006206 /nfs/dbraw/zinc/00/62/06/778006206.db2.gz LBRQHIJWUUEAOL-SECBINFHSA-N 1 2 268.317 -1.034 20 0 CAADLO CC(=O)NC[C@@H](CO)NC(=O)CCn1cc[nH+]c1 ZINC001287730779 778006247 /nfs/dbraw/zinc/00/62/47/778006247.db2.gz UVQWBFKHTKZPRJ-JTQLQIEISA-N 1 2 254.290 -1.114 20 0 CAADLO CNC(=O)CC(=O)N[C@H](CO)CNC(=O)Cn1cc[nH+]c1 ZINC001287802822 778010267 /nfs/dbraw/zinc/01/02/67/778010267.db2.gz KVHOJJMXNBIYMH-VIFPVBQESA-N 1 2 297.315 -2.388 20 0 CAADLO NC(=O)C(=O)N[C@H]1CC[C@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001288052781 778016114 /nfs/dbraw/zinc/01/61/14/778016114.db2.gz UJBMJKLXWFXRTA-UWVGGRQHSA-N 1 2 293.327 -1.231 20 0 CAADLO CC(=O)NC[C@@H](O)CN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001288129911 778018297 /nfs/dbraw/zinc/01/82/97/778018297.db2.gz NUBQDGXPNDRHGK-SNVBAGLBSA-N 1 2 254.290 -1.092 20 0 CAADLO CC(=O)NC[C@H](O)CN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001288129910 778018478 /nfs/dbraw/zinc/01/84/78/778018478.db2.gz NUBQDGXPNDRHGK-JTQLQIEISA-N 1 2 254.290 -1.092 20 0 CAADLO CN(C[C@H]1CCN1C(=O)CCc1c[nH]c[nH+]1)C(=O)C(N)=O ZINC001289998401 778026602 /nfs/dbraw/zinc/02/66/02/778026602.db2.gz DFIQMIVJKZRGJP-SNVBAGLBSA-N 1 2 293.327 -1.113 20 0 CAADLO CN(C[C@H]1CCN1C(=O)CCc1c[nH+]c[nH]1)C(=O)C(N)=O ZINC001289998401 778026614 /nfs/dbraw/zinc/02/66/14/778026614.db2.gz DFIQMIVJKZRGJP-SNVBAGLBSA-N 1 2 293.327 -1.113 20 0 CAADLO NC(=O)C(=O)NC[C@H]1C[C@@H](NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001290068376 778027264 /nfs/dbraw/zinc/02/72/64/778027264.db2.gz GZADCBGSUPGFCI-DTORHVGOSA-N 1 2 293.327 -1.161 20 0 CAADLO NC(=O)CC(=O)N[C@H]1C[C@@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001290079631 778028400 /nfs/dbraw/zinc/02/84/00/778028400.db2.gz FRRUYSNZUUIDAO-DTORHVGOSA-N 1 2 293.327 -1.161 20 0 CAADLO Cn1c[nH+]cc1CCC(=O)NCCS(N)(=O)=O ZINC001291585966 778030534 /nfs/dbraw/zinc/03/05/34/778030534.db2.gz WOEKJUSTORUIFQ-UHFFFAOYSA-N 1 2 260.319 -1.243 20 0 CAADLO NC(=O)Cn1cc(C(=O)NCCn2cc[nH+]c2)nn1 ZINC001290855244 778031048 /nfs/dbraw/zinc/03/10/48/778031048.db2.gz VAMOZRNUYXUQCC-UHFFFAOYSA-N 1 2 263.261 -1.610 20 0 CAADLO C[C@H]1C[N@H+](CCNC(=O)Cn2nnc(N)n2)CCO1 ZINC001292572757 778040024 /nfs/dbraw/zinc/04/00/24/778040024.db2.gz GFNCNNCEMHFRRE-QMMMGPOBSA-N 1 2 269.309 -1.908 20 0 CAADLO C[C@H]1C[N@@H+](CCNC(=O)Cn2nnc(N)n2)CCO1 ZINC001292572757 778040040 /nfs/dbraw/zinc/04/00/40/778040040.db2.gz GFNCNNCEMHFRRE-QMMMGPOBSA-N 1 2 269.309 -1.908 20 0 CAADLO O=C(Cc1c[nH]c[nH+]1)NCCNC(=O)[C@H]1CCC(=O)N1 ZINC001292578512 778041039 /nfs/dbraw/zinc/04/10/39/778041039.db2.gz YBWVBUFHIBTWRI-SECBINFHSA-N 1 2 279.300 -1.537 20 0 CAADLO Cc1c(C(=O)NCCNC(=O)Cc2c[nH]c[nH+]2)nnn1C ZINC001292607917 778042449 /nfs/dbraw/zinc/04/24/49/778042449.db2.gz NYDRCUFRIVSIFA-UHFFFAOYSA-N 1 2 291.315 -1.065 20 0 CAADLO CNC(=O)NCCC(=O)NCCNC(=O)Cc1[nH]cc[nH+]1 ZINC001292700694 778044692 /nfs/dbraw/zinc/04/46/92/778044692.db2.gz SJCUFHSJULNYIU-UHFFFAOYSA-N 1 2 296.331 -1.496 20 0 CAADLO Cc1nnc(CC(=O)NCCNC(=O)Cn2cc[nH+]c2)[nH]1 ZINC001292717122 778045439 /nfs/dbraw/zinc/04/54/39/778045439.db2.gz FFTWSDUOHHLASY-UHFFFAOYSA-N 1 2 291.315 -1.215 20 0 CAADLO Cn1c[nH+]cc1CC(=O)NCCNC(=O)Cc1nc[nH]n1 ZINC001292998609 778050920 /nfs/dbraw/zinc/05/09/20/778050920.db2.gz KQHSOFSLERFDRM-UHFFFAOYSA-N 1 2 291.315 -1.444 20 0 CAADLO O=C(Cc1c[nH]c[nH+]1)NCCNC(=O)[C@@H]1CCNC1=O ZINC001293038359 778052669 /nfs/dbraw/zinc/05/26/69/778052669.db2.gz BDMJYOIANVCDSF-SECBINFHSA-N 1 2 279.300 -1.679 20 0 CAADLO O=C(CCn1cnnn1)NCCNC(=O)Cc1c[nH]c[nH+]1 ZINC001293065313 778053990 /nfs/dbraw/zinc/05/39/90/778053990.db2.gz UAXMVIYXIYUGIC-UHFFFAOYSA-N 1 2 292.303 -1.739 20 0 CAADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCCCNC(=O)C(N)=O ZINC001293492656 778059137 /nfs/dbraw/zinc/05/91/37/778059137.db2.gz YSMBYSLEJQPZCA-RKDXNWHRSA-N 1 2 293.327 -1.369 20 0 CAADLO CC(=O)NCC(=O)NCC(=O)NCCc1[nH]cc[nH+]1 ZINC001293566275 778059478 /nfs/dbraw/zinc/05/94/78/778059478.db2.gz ULMVCPCAMYLONT-UHFFFAOYSA-N 1 2 267.289 -1.679 20 0 CAADLO NC(=O)CC(=O)N[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001293614671 778060933 /nfs/dbraw/zinc/06/09/33/778060933.db2.gz NJOGWNACMPLGTJ-MRVPVSSYSA-N 1 2 279.300 -1.455 20 0 CAADLO Cn1c[nH+]cc1CCC(=O)N[C@@H]1CCN(C(=O)C(N)=O)C1 ZINC001293614468 778061212 /nfs/dbraw/zinc/06/12/12/778061212.db2.gz MEOHEPPPBAQIOA-SECBINFHSA-N 1 2 293.327 -1.445 20 0 CAADLO COCC(=O)NCCC[NH+]1CCN(C(=O)C(N)=O)CC1 ZINC001294651854 778066132 /nfs/dbraw/zinc/06/61/32/778066132.db2.gz AJGVIQLPQHQJIS-UHFFFAOYSA-N 1 2 286.332 -2.231 20 0 CAADLO NC(=O)CC(=O)N[C@H]1C[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001295106710 778073292 /nfs/dbraw/zinc/07/32/92/778073292.db2.gz RZJQIQRFEOWUFE-ZKCHVHJHSA-N 1 2 279.300 -1.409 20 0 CAADLO Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)CNC(=O)CC(N)=O ZINC001295442872 778077681 /nfs/dbraw/zinc/07/76/81/778077681.db2.gz NAZIXRPXFMBPCW-SSDOTTSWSA-N 1 2 281.316 -1.243 20 0 CAADLO C[C@H](CNC(=O)Cc1[nH]cc[nH+]1)NC(=O)[C@@H]1CCNC1=O ZINC001295623311 778082307 /nfs/dbraw/zinc/08/23/07/778082307.db2.gz OIWZMSOUDYPXAV-RKDXNWHRSA-N 1 2 293.327 -1.291 20 0 CAADLO C[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)NC(=O)[C@@H]1CCNC1=O ZINC001295623309 778082737 /nfs/dbraw/zinc/08/27/37/778082737.db2.gz OIWZMSOUDYPXAV-DTWKUNHWSA-N 1 2 293.327 -1.291 20 0 CAADLO C[C@H](CNC(=O)C(N)=O)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001295634723 778083715 /nfs/dbraw/zinc/08/37/15/778083715.db2.gz SZUJLUXVZPQVSC-RKDXNWHRSA-N 1 2 293.327 -1.448 20 0 CAADLO C[C@H](CCNC(=O)Cn1cc[nH+]c1)NC(=O)CC(N)=O ZINC001295872961 778087439 /nfs/dbraw/zinc/08/74/39/778087439.db2.gz DDJLBKYJKLAVFW-SECBINFHSA-N 1 2 281.316 -1.231 20 0 CAADLO CN(CCNC(=O)C(C)(C)C(N)=O)C(=O)Cn1cc[nH+]c1 ZINC001296114055 778090764 /nfs/dbraw/zinc/09/07/64/778090764.db2.gz NZXJXUTVMBKIJU-UHFFFAOYSA-N 1 2 295.343 -1.031 20 0 CAADLO CN(CCNC(=O)C(N)=O)C(=O)CCc1[nH+]ccn1C ZINC001296214541 778092443 /nfs/dbraw/zinc/09/24/43/778092443.db2.gz MTKPZHLWZFJNKC-UHFFFAOYSA-N 1 2 281.316 -1.587 20 0 CAADLO CC(C)NS(=O)(=O)NCCNC(=O)Cc1c[nH]c[nH+]1 ZINC001296346902 778094971 /nfs/dbraw/zinc/09/49/71/778094971.db2.gz OZXNLLJJRAQPIQ-UHFFFAOYSA-N 1 2 289.361 -1.099 20 0 CAADLO CCN(CCNC(=O)Cc1c[nH+]cn1C)C(=O)CC(N)=O ZINC001296345245 778095814 /nfs/dbraw/zinc/09/58/14/778095814.db2.gz SCMOXNYXWBWBKC-UHFFFAOYSA-N 1 2 295.343 -1.197 20 0 CAADLO Cn1c[nH+]cc1CC(=O)NCCN(C(=O)C(N)=O)C1CC1 ZINC001296604733 778099465 /nfs/dbraw/zinc/09/94/65/778099465.db2.gz PHUDLUZDKZWFMY-UHFFFAOYSA-N 1 2 293.327 -1.445 20 0 CAADLO CCC(=O)N1CC[NH+](CCN(C)C(=O)CC(N)=O)CC1 ZINC001296825142 778101097 /nfs/dbraw/zinc/10/10/97/778101097.db2.gz RNCGJQFJIQPFNS-UHFFFAOYSA-N 1 2 284.360 -1.126 20 0 CAADLO NC(=O)C(=O)N1CC(CNC(=O)CCCn2cc[nH+]c2)C1 ZINC001297225060 778106564 /nfs/dbraw/zinc/10/65/64/778106564.db2.gz KIUNMPJRQAUAFA-UHFFFAOYSA-N 1 2 293.327 -1.277 20 0 CAADLO CC[C@H](CNC(=O)CCc1[nH+]ccn1C)NC(=O)C(N)=O ZINC001297467855 778109793 /nfs/dbraw/zinc/10/97/93/778109793.db2.gz WVTSFUXQRAVAPP-SECBINFHSA-N 1 2 295.343 -1.151 20 0 CAADLO Cc1[nH+]c[nH]c1CC(=O)NCCOCCS(N)(=O)=O ZINC001297587067 778112000 /nfs/dbraw/zinc/11/20/00/778112000.db2.gz QJMPWJMUOJNEEF-UHFFFAOYSA-N 1 2 290.345 -1.318 20 0 CAADLO O=C(C[C@@H]1NC(=O)NC1=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC001298007536 778114298 /nfs/dbraw/zinc/11/42/98/778114298.db2.gz JOWCOOSGKZBFGW-AEJSXWLSSA-N 1 2 296.327 -1.436 20 0 CAADLO O=C(C[C@@H]1NC(=O)NC1=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC001298007536 778114301 /nfs/dbraw/zinc/11/43/01/778114301.db2.gz JOWCOOSGKZBFGW-AEJSXWLSSA-N 1 2 296.327 -1.436 20 0 CAADLO NC(=O)C(=O)N[C@H]1CCC[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001298138892 778115098 /nfs/dbraw/zinc/11/50/98/778115098.db2.gz OAWWVOFYBBRVMA-UWVGGRQHSA-N 1 2 293.327 -1.231 20 0 CAADLO NC(=O)C(=O)NC[C@H]1CCC[C@@H]1NC(=O)Cn1cc[nH+]c1 ZINC001298129385 778115411 /nfs/dbraw/zinc/11/54/11/778115411.db2.gz RVCUIAQJLJQUAA-ZJUUUORDSA-N 1 2 293.327 -1.231 20 0 CAADLO NC(=O)C(=O)N[C@H]1CCC[C@@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001298138894 778115528 /nfs/dbraw/zinc/11/55/28/778115528.db2.gz OAWWVOFYBBRVMA-ZJUUUORDSA-N 1 2 293.327 -1.231 20 0 CAADLO NC(=O)C(=O)N[C@@H]1CCC[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001298138893 778115590 /nfs/dbraw/zinc/11/55/90/778115590.db2.gz OAWWVOFYBBRVMA-VHSXEESVSA-N 1 2 293.327 -1.231 20 0 CAADLO NC(=O)C(=O)NC[C@@H]1CCC[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001298129384 778115649 /nfs/dbraw/zinc/11/56/49/778115649.db2.gz RVCUIAQJLJQUAA-VHSXEESVSA-N 1 2 293.327 -1.231 20 0 CAADLO NC(=O)C(=O)NC[C@@H](O)CNC(=O)CCCn1cc[nH+]c1 ZINC001298195366 778117908 /nfs/dbraw/zinc/11/79/08/778117908.db2.gz YAYAPILYERLTJX-VIFPVBQESA-N 1 2 297.315 -2.258 20 0 CAADLO NC(=O)CC(=O)NC/C=C\CNC(=O)Cc1[nH]cc[nH+]1 ZINC001298320002 778120036 /nfs/dbraw/zinc/12/00/36/778120036.db2.gz IMSQOBQQFCGOAJ-UPHRSURJSA-N 1 2 279.300 -1.384 20 0 CAADLO NC(=O)C(=O)NC/C=C\CNC(=O)Cn1cc[nH+]c1 ZINC001298466393 778121332 /nfs/dbraw/zinc/12/13/32/778121332.db2.gz ZUJCVKCBZBITRK-UPHRSURJSA-N 1 2 265.273 -1.843 20 0 CAADLO C[C@H](CNC(=O)C(N)=O)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001298629505 778123152 /nfs/dbraw/zinc/12/31/52/778123152.db2.gz CIQSRQNXCCRSEG-RKDXNWHRSA-N 1 2 293.327 -1.448 20 0 CAADLO C[C@H](CNC(=O)CC(N)=O)NC(=O)Cc1[nH]cc[nH+]1 ZINC001298686839 778123850 /nfs/dbraw/zinc/12/38/50/778123850.db2.gz MNTWIVPLXUBLAF-SSDOTTSWSA-N 1 2 267.289 -1.552 20 0 CAADLO C[C@H](CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1)NC(=O)C(N)=O ZINC001298693971 778124131 /nfs/dbraw/zinc/12/41/31/778124131.db2.gz KEQZTEUCJUKZGT-HTQZYQBOSA-N 1 2 281.316 -1.306 20 0 CAADLO C[C@H](CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1)NC(=O)C(N)=O ZINC001298693971 778124132 /nfs/dbraw/zinc/12/41/32/778124132.db2.gz KEQZTEUCJUKZGT-HTQZYQBOSA-N 1 2 281.316 -1.306 20 0 CAADLO C[C@H](CNC(=O)CCn1cc[nH+]c1)NC(=O)C(N)=O ZINC001298694332 778124804 /nfs/dbraw/zinc/12/48/04/778124804.db2.gz YRSOOVNWPFQJPK-MRVPVSSYSA-N 1 2 267.289 -1.621 20 0 CAADLO C[C@@H](CNC(=O)CC(N)=O)NC(=O)Cc1[nH]cc[nH+]1 ZINC001298856568 778126670 /nfs/dbraw/zinc/12/66/70/778126670.db2.gz MNTWIVPLXUBLAF-ZETCQYMHSA-N 1 2 267.289 -1.552 20 0 CAADLO C[C@@H](CNC(=O)Cn1cc[nH+]c1)NC(=O)C1(C(N)=O)CC1 ZINC001298862581 778127120 /nfs/dbraw/zinc/12/71/20/778127120.db2.gz SHFOMBZXRAQBDK-VIFPVBQESA-N 1 2 293.327 -1.231 20 0 CAADLO C[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)NC(=O)C1(C(N)=O)CC1 ZINC001298862513 778127192 /nfs/dbraw/zinc/12/71/92/778127192.db2.gz QUCFODXCQZQIRY-QMMMGPOBSA-N 1 2 293.327 -1.161 20 0 CAADLO Cn1c[nH+]cc1CCC(=O)NC[C@H]1CCN1C(=O)C(N)=O ZINC001299077650 778129498 /nfs/dbraw/zinc/12/94/98/778129498.db2.gz GVMHVXCXWRMEEN-SNVBAGLBSA-N 1 2 293.327 -1.445 20 0 CAADLO Cc1[nH+]c[nH]c1CC(=O)NC[C@H]1CCN1C(=O)CC(N)=O ZINC001299071003 778129511 /nfs/dbraw/zinc/12/95/11/778129511.db2.gz KOVCKXMVTDICFP-SECBINFHSA-N 1 2 293.327 -1.147 20 0 CAADLO Nc1nnn(CC(=O)N[C@@H]2CCn3c[nH+]cc3C2)n1 ZINC001299812852 778130793 /nfs/dbraw/zinc/13/07/93/778130793.db2.gz ITSFTMJAENWYMS-SSDOTTSWSA-N 1 2 262.277 -1.417 20 0 CAADLO C[N@@H+]1CCO[C@H](C(=O)N2[C@H](CO)CC[C@H]2CO)C1 ZINC001299977522 778130808 /nfs/dbraw/zinc/13/08/08/778130808.db2.gz WNBJMMLEADBLMN-DCAQKATOSA-N 1 2 258.318 -1.339 20 0 CAADLO C[N@H+]1CCO[C@H](C(=O)N2[C@H](CO)CC[C@H]2CO)C1 ZINC001299977522 778130813 /nfs/dbraw/zinc/13/08/13/778130813.db2.gz WNBJMMLEADBLMN-DCAQKATOSA-N 1 2 258.318 -1.339 20 0 CAADLO C[N@@H+]1CCO[C@@H](C(=O)NCc2nc(CO)n[nH]2)C1 ZINC001301192652 778133919 /nfs/dbraw/zinc/13/39/19/778133919.db2.gz XXYKXAYGNWULEX-SSDOTTSWSA-N 1 2 255.278 -1.756 20 0 CAADLO C[N@H+]1CCO[C@@H](C(=O)NCc2nc(CO)n[nH]2)C1 ZINC001301192652 778133920 /nfs/dbraw/zinc/13/39/20/778133920.db2.gz XXYKXAYGNWULEX-SSDOTTSWSA-N 1 2 255.278 -1.756 20 0 CAADLO O=C(C[C@@H]1CC(=O)NC1=O)N[C@H](CO)Cc1c[nH]c[nH+]1 ZINC001302759027 778138374 /nfs/dbraw/zinc/13/83/74/778138374.db2.gz FXBWDNQAWOPCOK-APPZFPTMSA-N 1 2 280.284 -1.518 20 0 CAADLO O=C(C[C@@H]1CC(=O)NC1=O)N[C@H](CO)Cc1c[nH+]c[nH]1 ZINC001302759027 778138376 /nfs/dbraw/zinc/13/83/76/778138376.db2.gz FXBWDNQAWOPCOK-APPZFPTMSA-N 1 2 280.284 -1.518 20 0 CAADLO O=C(C[C@H]1CC(=O)NC1=O)N[C@H](CO)Cc1c[nH]c[nH+]1 ZINC001302759028 778138604 /nfs/dbraw/zinc/13/86/04/778138604.db2.gz FXBWDNQAWOPCOK-CBAPKCEASA-N 1 2 280.284 -1.518 20 0 CAADLO O=C(C[C@H]1CC(=O)NC1=O)N[C@H](CO)Cc1c[nH+]c[nH]1 ZINC001302759028 778138610 /nfs/dbraw/zinc/13/86/10/778138610.db2.gz FXBWDNQAWOPCOK-CBAPKCEASA-N 1 2 280.284 -1.518 20 0 CAADLO O=C(C[C@H]1CC(=O)N1)N[C@H](CO)Cc1c[nH]c[nH+]1 ZINC001302760287 778138724 /nfs/dbraw/zinc/13/87/24/778138724.db2.gz HVMZTNYCGQWXHT-APPZFPTMSA-N 1 2 252.274 -1.292 20 0 CAADLO O=C(C[C@H]1CC(=O)N1)N[C@H](CO)Cc1c[nH+]c[nH]1 ZINC001302760287 778138726 /nfs/dbraw/zinc/13/87/26/778138726.db2.gz HVMZTNYCGQWXHT-APPZFPTMSA-N 1 2 252.274 -1.292 20 0 CAADLO O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CC2(C1)NC(=O)NC2=O ZINC001305461327 778145017 /nfs/dbraw/zinc/14/50/17/778145017.db2.gz MCIOOTTWIWPIOG-RNFRBKRXSA-N 1 2 275.268 -1.066 20 0 CAADLO O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CC2(C1)NC(=O)NC2=O ZINC001305461327 778145019 /nfs/dbraw/zinc/14/50/19/778145019.db2.gz MCIOOTTWIWPIOG-RNFRBKRXSA-N 1 2 275.268 -1.066 20 0 CAADLO COCCNC(=O)CNC(=O)[C@H](c1c[nH+]cn1C)N(C)C ZINC001116910142 779517098 /nfs/dbraw/zinc/51/70/98/779517098.db2.gz XMTVTQVSGZPMJZ-LBPRGKRZSA-N 1 2 297.359 -1.098 20 0 CAADLO Cn1nncc1S(=O)(=O)NCC[NH+]1CC=CC1 ZINC001116890726 779517605 /nfs/dbraw/zinc/51/76/05/779517605.db2.gz JNTUGUZGNZPAPI-UHFFFAOYSA-N 1 2 257.319 -1.035 20 0 CAADLO CN1C[C@@H](NC(=O)C(=O)NCCCn2cc[nH+]c2)CC1=O ZINC001116976833 779520800 /nfs/dbraw/zinc/52/08/00/779520800.db2.gz IVGOKKVTSPNKMB-JTQLQIEISA-N 1 2 293.327 -1.264 20 0 CAADLO CNC(=O)CCCN(C)C(=O)C(=O)NCCn1cc[nH+]c1 ZINC001116973575 779520817 /nfs/dbraw/zinc/52/08/17/779520817.db2.gz GGHLPERPLYNGCN-UHFFFAOYSA-N 1 2 295.343 -1.016 20 0 CAADLO CN(C)C(=O)CCNC(=O)C(=O)NCCn1cc[nH+]c1 ZINC001116972382 779521368 /nfs/dbraw/zinc/52/13/68/779521368.db2.gz GKJBVATWXZQHBK-UHFFFAOYSA-N 1 2 281.316 -1.406 20 0 CAADLO C[C@@]1(O)CCN(C(=O)C(=O)NCCn2cc[nH+]c2)C1 ZINC001116990617 779521505 /nfs/dbraw/zinc/52/15/05/779521505.db2.gz HLRXKZAZKMJGKA-GFCCVEGCSA-N 1 2 266.301 -1.017 20 0 CAADLO C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)N1CC(CO)C1 ZINC001117053526 779522172 /nfs/dbraw/zinc/52/21/72/779522172.db2.gz BIPZIPGWFPBCRH-SECBINFHSA-N 1 2 266.301 -1.162 20 0 CAADLO CNS(=O)(=O)CCNC(=O)Cc1c[nH+]cn1C ZINC001117407760 779534144 /nfs/dbraw/zinc/53/41/44/779534144.db2.gz SAELUYOEJSWNEA-UHFFFAOYSA-N 1 2 260.319 -1.372 20 0 CAADLO O=C1NC(=O)N2CC[N@H+](CCN3CCNC3=O)C[C@@H]12 ZINC001117548115 779537801 /nfs/dbraw/zinc/53/78/01/779537801.db2.gz OPLCGNFAUXNDPC-QMMMGPOBSA-N 1 2 267.289 -1.752 20 0 CAADLO O=C1NC(=O)N2CC[N@@H+](CCN3CCNC3=O)C[C@@H]12 ZINC001117548115 779537808 /nfs/dbraw/zinc/53/78/08/779537808.db2.gz OPLCGNFAUXNDPC-QMMMGPOBSA-N 1 2 267.289 -1.752 20 0 CAADLO O=CN1CCC[N@H+](CC(=O)N2CCNC2=O)CC1 ZINC001117809589 779545809 /nfs/dbraw/zinc/54/58/09/779545809.db2.gz STOARQARIAKFNP-UHFFFAOYSA-N 1 2 254.290 -1.298 20 0 CAADLO O=CN1CCC[N@@H+](CC(=O)N2CCNC2=O)CC1 ZINC001117809589 779545814 /nfs/dbraw/zinc/54/58/14/779545814.db2.gz STOARQARIAKFNP-UHFFFAOYSA-N 1 2 254.290 -1.298 20 0 CAADLO O=C(CN1CC[NH2+]CC1=O)NCC(=O)OCC1CC1 ZINC001118198204 779553326 /nfs/dbraw/zinc/55/33/26/779553326.db2.gz RDNXEUZIDWEENG-UHFFFAOYSA-N 1 2 269.301 -1.512 20 0 CAADLO C[C@H]([NH3+])CNC(=O)Cn1[nH]cc2c(=O)ncnc1-2 ZINC001118264722 779557618 /nfs/dbraw/zinc/55/76/18/779557618.db2.gz MCCQBGKUHAYCGF-LURJTMIESA-N 1 2 250.262 -1.465 20 0 CAADLO CCNC(=O)CC(=O)N1CC[NH2+]C[C@@H]1C(=O)OCC ZINC001118260712 779558182 /nfs/dbraw/zinc/55/81/82/779558182.db2.gz GSQRDPPFOAGQDX-SECBINFHSA-N 1 2 271.317 -1.124 20 0 CAADLO CC(=O)NCC(=O)NC[C@H]1C[N@H+](CC(N)=O)CCCO1 ZINC001149081949 779580092 /nfs/dbraw/zinc/58/00/92/779580092.db2.gz HEUIOYURKCFRCY-JTQLQIEISA-N 1 2 286.332 -2.185 20 0 CAADLO CC(=O)NCC(=O)NC[C@H]1C[N@@H+](CC(N)=O)CCCO1 ZINC001149081949 779580095 /nfs/dbraw/zinc/58/00/95/779580095.db2.gz HEUIOYURKCFRCY-JTQLQIEISA-N 1 2 286.332 -2.185 20 0 CAADLO CN1C(=O)CN(CC(=O)N[C@H]2Cc3c[nH+]cn3C2)C1=O ZINC001118849040 779589639 /nfs/dbraw/zinc/58/96/39/779589639.db2.gz MVCSZCVBFMMBPZ-QMMMGPOBSA-N 1 2 277.284 -1.182 20 0 CAADLO C=CC(=O)N(C)CC(=O)N[C@@H]1CCC[N@H+](CC(N)=O)C1 ZINC001118827882 779589889 /nfs/dbraw/zinc/58/98/89/779589889.db2.gz OIECGXOKSJKEIE-SNVBAGLBSA-N 1 2 282.344 -1.303 20 0 CAADLO C=CC(=O)N(C)CC(=O)N[C@@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001118827882 779589894 /nfs/dbraw/zinc/58/98/94/779589894.db2.gz OIECGXOKSJKEIE-SNVBAGLBSA-N 1 2 282.344 -1.303 20 0 CAADLO O=C(C(=O)N1CCCNC(=O)C1)N1CC[NH+](C2CC2)CC1 ZINC001119028274 779603490 /nfs/dbraw/zinc/60/34/90/779603490.db2.gz MLFKPESFEZKFCE-UHFFFAOYSA-N 1 2 294.355 -1.359 20 0 CAADLO NC(=O)[C@@]1(NC(=O)/C=C/C[NH+]2CCOCC2)CCOC1 ZINC001119040246 779603509 /nfs/dbraw/zinc/60/35/09/779603509.db2.gz DOBXFULYTHFLHW-ZIYVKSGCSA-N 1 2 283.328 -1.365 20 0 CAADLO CN1CC[C@](C)(C(=O)N[C@H]2CCC[N@H+](CC(N)=O)C2)C1=O ZINC001119040891 779604335 /nfs/dbraw/zinc/60/43/35/779604335.db2.gz PKEFACWFMKJKES-IINYFYTJSA-N 1 2 296.371 -1.079 20 0 CAADLO CN1CC[C@](C)(C(=O)N[C@H]2CCC[N@@H+](CC(N)=O)C2)C1=O ZINC001119040891 779604338 /nfs/dbraw/zinc/60/43/38/779604338.db2.gz PKEFACWFMKJKES-IINYFYTJSA-N 1 2 296.371 -1.079 20 0 CAADLO CN1CC[C@@](C)(C(=O)N[C@H]2CCC[N@H+](CC(N)=O)C2)C1=O ZINC001119040889 779604458 /nfs/dbraw/zinc/60/44/58/779604458.db2.gz PKEFACWFMKJKES-HZMBPMFUSA-N 1 2 296.371 -1.079 20 0 CAADLO CN1CC[C@@](C)(C(=O)N[C@H]2CCC[N@@H+](CC(N)=O)C2)C1=O ZINC001119040889 779604463 /nfs/dbraw/zinc/60/44/63/779604463.db2.gz PKEFACWFMKJKES-HZMBPMFUSA-N 1 2 296.371 -1.079 20 0 CAADLO CNS(=O)(=O)NCC(=O)NCc1c[nH+]cn1C ZINC001119106955 779604919 /nfs/dbraw/zinc/60/49/19/779604919.db2.gz CGLQJYWTJFFXPQ-UHFFFAOYSA-N 1 2 261.307 -1.910 20 0 CAADLO C[C@@H](C(=O)N(C)c1nn[nH]n1)N1CC[NH+](C)CC1 ZINC001119595367 779618592 /nfs/dbraw/zinc/61/85/92/779618592.db2.gz NLNZFNIGDYTBRQ-QMMMGPOBSA-N 1 2 253.310 -1.202 20 0 CAADLO C/C(=C\C(=O)N1C[C@H](O)C[C@H]1C(N)=O)C[NH+]1CCOCC1 ZINC001119594649 779618929 /nfs/dbraw/zinc/61/89/29/779618929.db2.gz BLERQZFYACHIHG-IUEHSCGASA-N 1 2 297.355 -1.288 20 0 CAADLO C[NH+](C)C[C@@H]1NC(=O)N(CCCS(C)(=O)=O)C1=O ZINC001119622390 779619873 /nfs/dbraw/zinc/61/98/73/779619873.db2.gz KGVROJRFGKMVGO-QMMMGPOBSA-N 1 2 277.346 -1.097 20 0 CAADLO C[NH+](C)C[C@H]1NC(=O)N(CCCS(C)(=O)=O)C1=O ZINC001119622389 779620044 /nfs/dbraw/zinc/62/00/44/779620044.db2.gz KGVROJRFGKMVGO-MRVPVSSYSA-N 1 2 277.346 -1.097 20 0 CAADLO C[C@@H]1COCC[N@@H+]1CCN1C(=O)N[C@H](CO)C1=O ZINC001119630994 779620855 /nfs/dbraw/zinc/62/08/55/779620855.db2.gz LSBZFMGRIHJYFI-RKDXNWHRSA-N 1 2 257.290 -1.380 20 0 CAADLO C[C@@H]1COCC[N@H+]1CCN1C(=O)N[C@H](CO)C1=O ZINC001119630994 779620858 /nfs/dbraw/zinc/62/08/58/779620858.db2.gz LSBZFMGRIHJYFI-RKDXNWHRSA-N 1 2 257.290 -1.380 20 0 CAADLO Cn1c[nH+]cc1[C@H](CO)NC(=O)C(=O)NC1CC1 ZINC001119658820 779621862 /nfs/dbraw/zinc/62/18/62/779621862.db2.gz GLLMWKYABKLORF-QMMMGPOBSA-N 1 2 252.274 -1.152 20 0 CAADLO Cn1c[nH+]cc1[C@@H](CO)NC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001119659547 779622112 /nfs/dbraw/zinc/62/21/12/779622112.db2.gz SUAYAXINRWEENG-JGVFFNPUSA-N 1 2 267.289 -1.407 20 0 CAADLO Cn1c[nH+]cc1[C@@H](CO)NC(=O)[C@H]1CN(C)C(=O)N1 ZINC001119659546 779622234 /nfs/dbraw/zinc/62/22/34/779622234.db2.gz SUAYAXINRWEENG-HTQZYQBOSA-N 1 2 267.289 -1.407 20 0 CAADLO C[N@@H+]1CCN(C(=O)CO[C@H]2CCOC2)C[C@H]1CO ZINC001119662510 779623059 /nfs/dbraw/zinc/62/30/59/779623059.db2.gz GPOLZNVOIAHTRV-QWRGUYRKSA-N 1 2 258.318 -1.073 20 0 CAADLO C[N@H+]1CCN(C(=O)CO[C@H]2CCOC2)C[C@H]1CO ZINC001119662510 779623061 /nfs/dbraw/zinc/62/30/61/779623061.db2.gz GPOLZNVOIAHTRV-QWRGUYRKSA-N 1 2 258.318 -1.073 20 0 CAADLO C[N@@H+]1CCN(C(=O)CO[C@@H]2CCOC2)C[C@H]1CO ZINC001119662511 779623366 /nfs/dbraw/zinc/62/33/66/779623366.db2.gz GPOLZNVOIAHTRV-WDEREUQCSA-N 1 2 258.318 -1.073 20 0 CAADLO C[N@H+]1CCN(C(=O)CO[C@@H]2CCOC2)C[C@H]1CO ZINC001119662511 779623370 /nfs/dbraw/zinc/62/33/70/779623370.db2.gz GPOLZNVOIAHTRV-WDEREUQCSA-N 1 2 258.318 -1.073 20 0 CAADLO C[C@@H](CNC(=O)C[C@H]1CC(=O)NC1=O)[NH+]1CCN(C)CC1 ZINC001119928372 779630125 /nfs/dbraw/zinc/63/01/25/779630125.db2.gz KRRZVQGMYATURJ-QWRGUYRKSA-N 1 2 296.371 -1.209 20 0 CAADLO CC[C@H](C(=O)NC[C@H](O)CS(C)(=O)=O)[NH+](C)C ZINC001119975836 779630299 /nfs/dbraw/zinc/63/02/99/779630299.db2.gz NSFZWASPJKCGSK-DTWKUNHWSA-N 1 2 266.363 -1.152 20 0 CAADLO CC[N@@H+]1CC[C@@H]1CNC(=O)C(=O)N1C[C@@H]2C[C@H]1C[S@]2=O ZINC001120473699 779638452 /nfs/dbraw/zinc/63/84/52/779638452.db2.gz SCVGXMKDXJRFQG-CFZCINTLSA-N 1 2 299.396 -1.071 20 0 CAADLO CC[N@H+]1CC[C@@H]1CNC(=O)C(=O)N1C[C@@H]2C[C@H]1C[S@]2=O ZINC001120473699 779638459 /nfs/dbraw/zinc/63/84/59/779638459.db2.gz SCVGXMKDXJRFQG-CFZCINTLSA-N 1 2 299.396 -1.071 20 0 CAADLO Cc1nc(N[C@H](CO)CNC(=O)CNC(N)=O)cc[nH+]1 ZINC001121017625 779645838 /nfs/dbraw/zinc/64/58/38/779645838.db2.gz HHOLSFLFJCBNOA-QMMMGPOBSA-N 1 2 282.304 -1.658 20 0 CAADLO Cc1nc(N[C@H](CO)CNC(=O)Cn2cnnn2)cc[nH+]1 ZINC001121025577 779646475 /nfs/dbraw/zinc/64/64/75/779646475.db2.gz SOASEBKQGIGRIM-VIFPVBQESA-N 1 2 292.303 -1.639 20 0 CAADLO Cc1nc(N[C@@H](CO)CNC(=O)[C@H]2CCC(=O)N2)cc[nH+]1 ZINC001121332864 779648360 /nfs/dbraw/zinc/64/83/60/779648360.db2.gz ZBKHYKHGEJZBCX-NXEZZACHSA-N 1 2 293.327 -1.047 20 0 CAADLO Cc1nc(N[C@@H](CO)CNC(=O)CC(N)=O)cc[nH+]1 ZINC001121258258 779648685 /nfs/dbraw/zinc/64/86/85/779648685.db2.gz QDACZTNXXUHKQM-MRVPVSSYSA-N 1 2 267.289 -1.451 20 0 CAADLO Cc1nc(N[C@H](CO)CNC(=O)[C@H](C)NC(N)=O)cc[nH+]1 ZINC001121375425 779649325 /nfs/dbraw/zinc/64/93/25/779649325.db2.gz CFAFWBPNASCIHY-CBAPKCEASA-N 1 2 296.331 -1.269 20 0 CAADLO CNC(=O)CC(=O)NC[C@@H](CO)Nc1cc[nH+]c(C)n1 ZINC001121372064 779649734 /nfs/dbraw/zinc/64/97/34/779649734.db2.gz UCYAJVJQXNPDMU-VIFPVBQESA-N 1 2 281.316 -1.190 20 0 CAADLO Cc1nc(N[C@@H](CO)CNC(=O)CCNC(N)=O)cc[nH+]1 ZINC001121591635 779650714 /nfs/dbraw/zinc/65/07/14/779650714.db2.gz TZFBNJGBOMAURY-SECBINFHSA-N 1 2 296.331 -1.268 20 0 CAADLO Cc1nc(N[C@@H](CO)CNC(=O)[C@@H]2CCC(=O)N2)cc[nH+]1 ZINC001121820213 779651619 /nfs/dbraw/zinc/65/16/19/779651619.db2.gz ZBKHYKHGEJZBCX-ZJUUUORDSA-N 1 2 293.327 -1.047 20 0 CAADLO CC(C)[C@@H](CNC(=O)[C@@H](C)N1CC[NH2+]CC1=O)ON ZINC001121993852 779653793 /nfs/dbraw/zinc/65/37/93/779653793.db2.gz FREAMAFTPPWICZ-NXEZZACHSA-N 1 2 272.349 -1.162 20 0 CAADLO CCC(=O)NCC[NH2+]Cc1nc(CC(=O)NC)no1 ZINC001122353187 779665336 /nfs/dbraw/zinc/66/53/36/779665336.db2.gz NWXJJHSUPPVZHV-UHFFFAOYSA-N 1 2 269.305 -1.026 20 0 CAADLO COCCC(=O)NCC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001122394132 779667623 /nfs/dbraw/zinc/66/76/23/779667623.db2.gz RXTDBSZQILINIE-UHFFFAOYSA-N 1 2 257.294 -1.649 20 0 CAADLO CNC(=O)Cc1noc(C[NH2+]CCNC(=O)CCOC)n1 ZINC001122418160 779667841 /nfs/dbraw/zinc/66/78/41/779667841.db2.gz YILTVDNNXYHAEI-UHFFFAOYSA-N 1 2 299.331 -1.400 20 0 CAADLO Cc1nc(N[C@@H](CO)CNC(=O)[C@H]2CNC(=O)N2)cc[nH+]1 ZINC001122438966 779669151 /nfs/dbraw/zinc/66/91/51/779669151.db2.gz ZLJREFVPXBNYKR-RKDXNWHRSA-N 1 2 294.315 -1.645 20 0 CAADLO C[C@@H](C(=O)N[C@]1(C)CCOC1=O)N1CC[NH2+]CC1=O ZINC001122511356 779670609 /nfs/dbraw/zinc/67/06/09/779670609.db2.gz MYCHILFOTZQDPA-QPUJVOFHSA-N 1 2 269.301 -1.372 20 0 CAADLO C[C@@H](C(=O)N1CCNNCC1)N1CC[NH2+]CC1=O ZINC001122478318 779671151 /nfs/dbraw/zinc/67/11/51/779671151.db2.gz YKUBPSKSQHFHSY-VIFPVBQESA-N 1 2 255.322 -2.257 20 0 CAADLO CCc1nnc(C[NH2+]CCNC(=O)CNC(C)=O)o1 ZINC001122667416 779673082 /nfs/dbraw/zinc/67/30/82/779673082.db2.gz DXRFJJNATMVPGS-UHFFFAOYSA-N 1 2 269.305 -1.026 20 0 CAADLO CC(=O)NCC(=O)NCC[NH2+]Cc1csnn1 ZINC001122667427 779673120 /nfs/dbraw/zinc/67/31/20/779673120.db2.gz FGDLOWYTLYJXFC-UHFFFAOYSA-N 1 2 257.319 -1.120 20 0 CAADLO CC(=O)NCC(=O)NCC[NH2+]Cc1nonc1C ZINC001122667601 779673276 /nfs/dbraw/zinc/67/32/76/779673276.db2.gz IKABTALQJMESES-UHFFFAOYSA-N 1 2 255.278 -1.280 20 0 CAADLO CC(=O)NCC(=O)NCC[NH2+]Cc1nnc(C)o1 ZINC001122667804 779673318 /nfs/dbraw/zinc/67/33/18/779673318.db2.gz NDJMYCVIGVTQNB-UHFFFAOYSA-N 1 2 255.278 -1.280 20 0 CAADLO CC(=O)NCC(=O)NCC[NH2+]Cc1nncs1 ZINC001122675384 779674485 /nfs/dbraw/zinc/67/44/85/779674485.db2.gz OYQYZUBLYCSXNB-UHFFFAOYSA-N 1 2 257.319 -1.120 20 0 CAADLO CNC(=O)NCC(=O)NC[C@H](CO)Nc1cc[nH+]c(C)n1 ZINC001122785106 779675712 /nfs/dbraw/zinc/67/57/12/779675712.db2.gz WLPCZPKEIJNETR-SECBINFHSA-N 1 2 296.331 -1.397 20 0 CAADLO Cc1cnc(C(=O)NCC[NH2+]Cc2nc(=O)n(C)[nH]2)cn1 ZINC001122917497 779675857 /nfs/dbraw/zinc/67/58/57/779675857.db2.gz OVFWNBZPMGEFID-UHFFFAOYSA-N 1 2 291.315 -1.274 20 0 CAADLO Cc1cc(C(=O)NCC[NH2+]Cc2nc(=O)n(C)[nH]2)no1 ZINC001123186675 779681951 /nfs/dbraw/zinc/68/19/51/779681951.db2.gz HXTOTNRMGSQORB-UHFFFAOYSA-N 1 2 280.288 -1.076 20 0 CAADLO Cc1nnc(C[NH2+]CCNC(=O)CNC(N)=O)o1 ZINC001123235485 779682614 /nfs/dbraw/zinc/68/26/14/779682614.db2.gz NCSMEZNPTWNUIN-UHFFFAOYSA-N 1 2 256.266 -1.748 20 0 CAADLO Cc1nnc([C@@H](C)[NH2+]CCNC(=O)CNC(N)=O)o1 ZINC001123241741 779683343 /nfs/dbraw/zinc/68/33/43/779683343.db2.gz JATVCBIVHPTCHI-ZCFIWIBFSA-N 1 2 270.293 -1.187 20 0 CAADLO O=C(Cn1cnnn1)NCC[NH2+]Cc1ncccn1 ZINC001123305432 779684350 /nfs/dbraw/zinc/68/43/50/779684350.db2.gz OYQHZPGWQXAJNW-UHFFFAOYSA-N 1 2 262.277 -1.631 20 0 CAADLO CN(C)c1noc(C[NH2+]CCNC(=O)Cn2cnnn2)n1 ZINC001123304131 779685053 /nfs/dbraw/zinc/68/50/53/779685053.db2.gz FGFHMHZQOURARF-UHFFFAOYSA-N 1 2 295.307 -1.972 20 0 CAADLO Cn1cc(Cl)c(C[NH2+]CCNC(=O)Cn2cnnn2)n1 ZINC001123312849 779685669 /nfs/dbraw/zinc/68/56/69/779685669.db2.gz JUYPZUNCKUXVHA-UHFFFAOYSA-N 1 2 298.738 -1.034 20 0 CAADLO COCc1noc(C[NH2+]CCNC(=O)Cn2cnnn2)n1 ZINC001123306397 779685779 /nfs/dbraw/zinc/68/57/79/779685779.db2.gz WGFASNBUPFKPJA-UHFFFAOYSA-N 1 2 296.291 -1.892 20 0 CAADLO Cn1[nH]c(C[NH2+]CCNC(=O)CN2CCCC2=O)nc1=O ZINC001123335366 779688052 /nfs/dbraw/zinc/68/80/52/779688052.db2.gz OKTFHKRQXRAUCZ-UHFFFAOYSA-N 1 2 296.331 -2.063 20 0 CAADLO Cn1cccc1C(=O)NCC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001123641575 779692273 /nfs/dbraw/zinc/69/22/73/779692273.db2.gz MYXADRHLZDRXNE-UHFFFAOYSA-N 1 2 278.316 -1.034 20 0 CAADLO Cn1[nH]c(C[NH2+]CCNC(=O)CCn2cncn2)nc1=O ZINC001123659591 779692365 /nfs/dbraw/zinc/69/23/65/779692365.db2.gz NBRUJSPMSBHJRY-UHFFFAOYSA-N 1 2 294.319 -2.004 20 0 CAADLO CN(C)c1noc(C[NH2+]CCNC(=O)[C@H]2COCCO2)n1 ZINC001123869444 779695551 /nfs/dbraw/zinc/69/55/51/779695551.db2.gz IFWCJNBVBWLXMG-SECBINFHSA-N 1 2 299.331 -1.243 20 0 CAADLO Cc1nonc1C[NH2+]CCNC(=O)[C@H]1COCCO1 ZINC001123869745 779695642 /nfs/dbraw/zinc/69/56/42/779695642.db2.gz KUPCNPPKKWFKCV-SNVBAGLBSA-N 1 2 270.289 -1.001 20 0 CAADLO C[C@H](C(=O)N1CC(C(N)=O)C1)[NH+]1CCN(C)CC1 ZINC001123946010 779699631 /nfs/dbraw/zinc/69/96/31/779699631.db2.gz DSISOFVQLZDCCV-SECBINFHSA-N 1 2 254.334 -1.434 20 0 CAADLO C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)NN1CCOC1=O ZINC001123940497 779699711 /nfs/dbraw/zinc/69/97/11/779699711.db2.gz RKQBGBRPHLAAHV-BDAKNGLRSA-N 1 2 254.290 -1.142 20 0 CAADLO C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)NN1CCOC1=O ZINC001123940497 779699713 /nfs/dbraw/zinc/69/97/13/779699713.db2.gz RKQBGBRPHLAAHV-BDAKNGLRSA-N 1 2 254.290 -1.142 20 0 CAADLO CCO[C@H](C)C(=O)NCC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001123962175 779699740 /nfs/dbraw/zinc/69/97/40/779699740.db2.gz DAOGVBMEBBLCIR-MRVPVSSYSA-N 1 2 271.321 -1.261 20 0 CAADLO CNC(=O)Cc1noc(C[NH2+]CCNC(=O)[C@@H](C)OC)n1 ZINC001124297087 779708821 /nfs/dbraw/zinc/70/88/21/779708821.db2.gz DLCBPVQKSBLNME-MRVPVSSYSA-N 1 2 299.331 -1.401 20 0 CAADLO CNC(=O)Cc1noc(C[NH2+]CCNC(=O)[C@H](C)OC)n1 ZINC001124297088 779708972 /nfs/dbraw/zinc/70/89/72/779708972.db2.gz DLCBPVQKSBLNME-QMMMGPOBSA-N 1 2 299.331 -1.401 20 0 CAADLO CO[C@@H](C)C(=O)NCC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001124273993 779709108 /nfs/dbraw/zinc/70/91/08/779709108.db2.gz UZSIMTHEWAUAOE-ZETCQYMHSA-N 1 2 257.294 -1.651 20 0 CAADLO CS(=O)(=O)CC(=O)NCC[NH2+]Cc1nncs1 ZINC001124366891 779710005 /nfs/dbraw/zinc/71/00/05/779710005.db2.gz NSWTUJPTTFRGRU-UHFFFAOYSA-N 1 2 278.359 -1.212 20 0 CAADLO Cn1cnnc1C[NH2+]CCNC(=O)CS(C)(=O)=O ZINC001124362037 779710218 /nfs/dbraw/zinc/71/02/18/779710218.db2.gz GSQGTTYLUQTRBS-UHFFFAOYSA-N 1 2 275.334 -1.935 20 0 CAADLO Cn1ncc(C[NH2+]CCNC(=O)CS(C)(=O)=O)n1 ZINC001124362553 779710396 /nfs/dbraw/zinc/71/03/96/779710396.db2.gz OKXZWAKBYRPBLZ-UHFFFAOYSA-N 1 2 275.334 -1.935 20 0 CAADLO CCCC(=O)NCC(=O)NCC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001124350145 779710800 /nfs/dbraw/zinc/71/08/00/779710800.db2.gz DNOGWENHULSPOT-UHFFFAOYSA-N 1 2 298.347 -1.770 20 0 CAADLO Cn1cc(CC(=O)NCC[NH2+]Cc2nc(=O)n(C)[nH]2)cn1 ZINC001124608130 779713187 /nfs/dbraw/zinc/71/31/87/779713187.db2.gz SQZGPDPXWMZJKZ-UHFFFAOYSA-N 1 2 293.331 -1.710 20 0 CAADLO COCc1noc(C[NH2+]CCNC(=O)[C@H]2CCC(=O)N2)n1 ZINC001124804565 779717937 /nfs/dbraw/zinc/71/79/37/779717937.db2.gz CFUVSBLAGUDXBR-MRVPVSSYSA-N 1 2 297.315 -1.300 20 0 CAADLO O=C(NCC[NH2+]Cc1ncccn1)[C@H]1CCC(=O)N1 ZINC001124804690 779718095 /nfs/dbraw/zinc/71/80/95/779718095.db2.gz FRKWULNKYIGXFS-SECBINFHSA-N 1 2 263.301 -1.039 20 0 CAADLO Cc1nnc(C[NH2+]CCNC(=O)[C@H]2CCC(=O)N2)o1 ZINC001124804693 779718567 /nfs/dbraw/zinc/71/85/67/779718567.db2.gz FTZLUFQLVRZZTL-MRVPVSSYSA-N 1 2 267.289 -1.138 20 0 CAADLO CCC(=O)NCC(=O)NCC[NH2+]Cc1nc(COC)no1 ZINC001124872239 779720031 /nfs/dbraw/zinc/72/00/31/779720031.db2.gz BRJGDIHXWFPRCU-UHFFFAOYSA-N 1 2 299.331 -1.052 20 0 CAADLO Cc1nn(C)cc1C(=O)NCC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001124960514 779720440 /nfs/dbraw/zinc/72/04/40/779720440.db2.gz DYFRGONCXUCLQQ-UHFFFAOYSA-N 1 2 293.331 -1.330 20 0 CAADLO Cc1n[nH]c(C(=O)NCC[NH2+][C@H](C)C(=O)NC(N)=O)c1C ZINC001125044435 779721015 /nfs/dbraw/zinc/72/10/15/779721015.db2.gz CDKOZKKHIVHLKB-MRVPVSSYSA-N 1 2 296.331 -1.071 20 0 CAADLO Cc1nc(N(C)C[C@H](O)CN(C)C(=O)CC(N)=O)cc[nH+]1 ZINC001125040984 779721029 /nfs/dbraw/zinc/72/10/29/779721029.db2.gz AKDCSGCJZFBMCY-JTQLQIEISA-N 1 2 295.343 -1.084 20 0 CAADLO Cc1[nH]nc(C(=O)NCC[NH2+]Cc2nc(=O)n(C)[nH]2)c1C ZINC001125061844 779721080 /nfs/dbraw/zinc/72/10/80/779721080.db2.gz QPWRXKIPBATNSH-UHFFFAOYSA-N 1 2 293.331 -1.032 20 0 CAADLO Cc1c(C(=O)NCC[NH2+]Cc2nc(=O)n(C)[nH]2)nnn1C ZINC001125169872 779722950 /nfs/dbraw/zinc/72/29/50/779722950.db2.gz LXAZWDJEYWIAHK-UHFFFAOYSA-N 1 2 294.319 -1.935 20 0 CAADLO Cn1c[nH+]cc1CCNC(=O)CN1C(=O)CNC1=O ZINC001138185418 779729899 /nfs/dbraw/zinc/72/98/99/779729899.db2.gz IMMROZUSHPJVAS-UHFFFAOYSA-N 1 2 265.273 -1.369 20 0 CAADLO NC(=O)C[N@@H+]1CCCO[C@@H](CNC(=O)Cn2cccn2)C1 ZINC001149159382 779731742 /nfs/dbraw/zinc/73/17/42/779731742.db2.gz GYQSDRYLOMKUOO-NSHDSACASA-N 1 2 295.343 -1.425 20 0 CAADLO NC(=O)C[N@H+]1CCCO[C@@H](CNC(=O)Cn2cccn2)C1 ZINC001149159382 779731746 /nfs/dbraw/zinc/73/17/46/779731746.db2.gz GYQSDRYLOMKUOO-NSHDSACASA-N 1 2 295.343 -1.425 20 0 CAADLO CN1CCN(C2C[NH+](C[C@@H]3CCC(=O)N3)C2)CC1=O ZINC001202879069 779732905 /nfs/dbraw/zinc/73/29/05/779732905.db2.gz SXETYLCYEUKMCT-JTQLQIEISA-N 1 2 266.345 -1.277 20 0 CAADLO Cn1cnnc1CN(CCO)CC[NH+]1CCOCC1 ZINC000119048704 779733161 /nfs/dbraw/zinc/73/31/61/779733161.db2.gz HLUYGLNSOJREKG-UHFFFAOYSA-N 1 2 269.349 -1.058 20 0 CAADLO CN1CCN(C2C[NH+](C[C@H]3CCC(=O)N3)C2)CC1=O ZINC001202879070 779733473 /nfs/dbraw/zinc/73/34/73/779733473.db2.gz SXETYLCYEUKMCT-SNVBAGLBSA-N 1 2 266.345 -1.277 20 0 CAADLO C[C@@H](NC(=O)C(=O)NCC(F)F)C1C[NH+](CC(N)=O)C1 ZINC001276398298 779734335 /nfs/dbraw/zinc/73/43/35/779734335.db2.gz XHMQATSGVLJDNR-ZCFIWIBFSA-N 1 2 292.286 -1.711 20 0 CAADLO COC(=O)[C@H]1C[N@H+](C[C@@H]2CCC(=O)N2)CCN1C(C)=O ZINC001202903450 779734574 /nfs/dbraw/zinc/73/45/74/779734574.db2.gz PRQBRQYCIXZHRK-WDEREUQCSA-N 1 2 283.328 -1.029 20 0 CAADLO COC(=O)[C@H]1C[N@@H+](C[C@@H]2CCC(=O)N2)CCN1C(C)=O ZINC001202903450 779734580 /nfs/dbraw/zinc/73/45/80/779734580.db2.gz PRQBRQYCIXZHRK-WDEREUQCSA-N 1 2 283.328 -1.029 20 0 CAADLO CN(C)C(=O)CO[C@@H]1C[N@H+](CC(=O)N(C)C)[C@@H]2COC[C@H]12 ZINC001203008500 779736334 /nfs/dbraw/zinc/73/63/34/779736334.db2.gz HOGZGGSHVXILJW-QJPTWQEYSA-N 1 2 299.371 -1.121 20 0 CAADLO CN(C)C(=O)CO[C@@H]1C[N@@H+](CC(=O)N(C)C)[C@@H]2COC[C@H]12 ZINC001203008500 779736339 /nfs/dbraw/zinc/73/63/39/779736339.db2.gz HOGZGGSHVXILJW-QJPTWQEYSA-N 1 2 299.371 -1.121 20 0 CAADLO O=C1COC[C@@H]2C[N@H+](CC3C(=O)N=CNC3=O)CCN12 ZINC001140472783 779737645 /nfs/dbraw/zinc/73/76/45/779737645.db2.gz FJOUCARMQAHKMH-QMMMGPOBSA-N 1 2 280.284 -1.069 20 0 CAADLO O=C1COC[C@@H]2C[N@@H+](CC3C(=O)N=CNC3=O)CCN12 ZINC001140472783 779737647 /nfs/dbraw/zinc/73/76/47/779737647.db2.gz FJOUCARMQAHKMH-QMMMGPOBSA-N 1 2 280.284 -1.069 20 0 CAADLO NC(=O)CN1CC[NH+](CC2C(=O)N=CNC2=O)CC1 ZINC001140472218 779737950 /nfs/dbraw/zinc/73/79/50/779737950.db2.gz NHBKOLZANSJIKJ-UHFFFAOYSA-N 1 2 267.289 -1.509 20 0 CAADLO CN(C)C(=O)C[N@@H+]1CCN(CC(N)=O)C(C)(C)C1 ZINC001203014285 779738387 /nfs/dbraw/zinc/73/83/87/779738387.db2.gz FXZRJHBBVDBNIT-UHFFFAOYSA-N 1 2 256.350 -1.044 20 0 CAADLO CN(C)C(=O)C[N@H+]1CCN(CC(N)=O)C(C)(C)C1 ZINC001203014285 779738396 /nfs/dbraw/zinc/73/83/96/779738396.db2.gz FXZRJHBBVDBNIT-UHFFFAOYSA-N 1 2 256.350 -1.044 20 0 CAADLO Cn1c[nH+]cc1CC(=O)NC[C@@H](O)Cn1ccnn1 ZINC001141931220 779746036 /nfs/dbraw/zinc/74/60/36/779746036.db2.gz VGGJFWLFQJYJEU-SNVBAGLBSA-N 1 2 264.289 -1.269 20 0 CAADLO COC(=O)[C@@H]1C[N@H+](C)CCN1C(=O)Cn1cccnc1=O ZINC001141943154 779746198 /nfs/dbraw/zinc/74/61/98/779746198.db2.gz GNDWFVDWPIIZQT-JTQLQIEISA-N 1 2 294.311 -1.441 20 0 CAADLO COC(=O)[C@@H]1C[N@@H+](C)CCN1C(=O)Cn1cccnc1=O ZINC001141943154 779746200 /nfs/dbraw/zinc/74/62/00/779746200.db2.gz GNDWFVDWPIIZQT-JTQLQIEISA-N 1 2 294.311 -1.441 20 0 CAADLO O=C(CN1CC(=O)NC1=O)N1CCc2[nH+]ccn2CC1 ZINC001142087243 779749137 /nfs/dbraw/zinc/74/91/37/779749137.db2.gz JMHCSYCHYBXYMR-UHFFFAOYSA-N 1 2 277.284 -1.180 20 0 CAADLO O=C(CN1CC(=O)NC1=O)N[C@@H](CO)Cc1c[nH]c[nH+]1 ZINC001142092595 779749844 /nfs/dbraw/zinc/74/98/44/779749844.db2.gz HXYBSBJYQMNGLP-MRVPVSSYSA-N 1 2 281.272 -2.019 20 0 CAADLO O=C(CN1CC(=O)NC1=O)N[C@@H](CO)Cc1c[nH+]c[nH]1 ZINC001142092595 779749849 /nfs/dbraw/zinc/74/98/49/779749849.db2.gz HXYBSBJYQMNGLP-MRVPVSSYSA-N 1 2 281.272 -2.019 20 0 CAADLO COC(=O)[C@@H]1C[N@H+](C)CCN1C(=O)CN1CC(=O)NC1=O ZINC001142087679 779750046 /nfs/dbraw/zinc/75/00/46/779750046.db2.gz PQSZBFPGRYPRDP-QMMMGPOBSA-N 1 2 298.299 -2.146 20 0 CAADLO COC(=O)[C@@H]1C[N@@H+](C)CCN1C(=O)CN1CC(=O)NC1=O ZINC001142087679 779750050 /nfs/dbraw/zinc/75/00/50/779750050.db2.gz PQSZBFPGRYPRDP-QMMMGPOBSA-N 1 2 298.299 -2.146 20 0 CAADLO COC(=O)[C@H]1C[N@H+](C)CCN1C(=O)CN1CC(=O)NC1=O ZINC001142087677 779750122 /nfs/dbraw/zinc/75/01/22/779750122.db2.gz PQSZBFPGRYPRDP-MRVPVSSYSA-N 1 2 298.299 -2.146 20 0 CAADLO COC(=O)[C@H]1C[N@@H+](C)CCN1C(=O)CN1CC(=O)NC1=O ZINC001142087677 779750129 /nfs/dbraw/zinc/75/01/29/779750129.db2.gz PQSZBFPGRYPRDP-MRVPVSSYSA-N 1 2 298.299 -2.146 20 0 CAADLO CCN(C(=O)CN1CC(=O)NC1=O)C1C[NH+](C)C1 ZINC001142087662 779750152 /nfs/dbraw/zinc/75/01/52/779750152.db2.gz PLMCVXYEMDGMTL-UHFFFAOYSA-N 1 2 254.290 -1.299 20 0 CAADLO COC(=O)[C@@H](Cc1c[nH+]cn1C)NC(=O)Cn1cncn1 ZINC001142133223 779752061 /nfs/dbraw/zinc/75/20/61/779752061.db2.gz MZQQVYZFKLGPKK-SNVBAGLBSA-N 1 2 292.299 -1.088 20 0 CAADLO [NH3+][C@@H]1NCN(C(=O)C(=O)c2ccco2)[C@@H]2NCN[C@@H]21 ZINC001142291190 779756854 /nfs/dbraw/zinc/75/68/54/779756854.db2.gz PVPGQNLQKCRJTN-QNSHHTMESA-N 1 2 265.273 -2.019 20 0 CAADLO [NH3+][C@@H]1NCN(C(=O)C(=O)c2ccco2)[C@@H]2NCN[C@H]21 ZINC001142291191 779757034 /nfs/dbraw/zinc/75/70/34/779757034.db2.gz PVPGQNLQKCRJTN-SFGNSQDASA-N 1 2 265.273 -2.019 20 0 CAADLO [NH3+][C@@H]1NCN(C(=O)C(=O)c2ccccc2)[C@H]2NCN[C@H]21 ZINC001142694490 779760444 /nfs/dbraw/zinc/76/04/44/779760444.db2.gz WGUMQQMPQQPLOR-MVWJERBFSA-N 1 2 275.312 -1.612 20 0 CAADLO CC(=O)N1C[C@H](O)C[C@H]1C(=O)NCCn1cc[nH+]c1 ZINC001143024890 779764439 /nfs/dbraw/zinc/76/44/39/779764439.db2.gz SMPQYZDOSMACTH-MNOVXSKESA-N 1 2 266.301 -1.019 20 0 CAADLO COC(=O)[C@H](Cc1c[nH+]cn1C)NC(=O)CCC(N)=O ZINC001142961106 779764742 /nfs/dbraw/zinc/76/47/42/779764742.db2.gz FQAAPXBWSDEXCR-VIFPVBQESA-N 1 2 282.300 -1.114 20 0 CAADLO COC(=O)[C@@H]1C[N@H+](C)CCN1C(=O)CCC(N)=O ZINC001142950598 779765044 /nfs/dbraw/zinc/76/50/44/779765044.db2.gz XBLNULYNXVBIDZ-QMMMGPOBSA-N 1 2 257.290 -1.433 20 0 CAADLO COC(=O)[C@@H]1C[N@@H+](C)CCN1C(=O)CCC(N)=O ZINC001142950598 779765050 /nfs/dbraw/zinc/76/50/50/779765050.db2.gz XBLNULYNXVBIDZ-QMMMGPOBSA-N 1 2 257.290 -1.433 20 0 CAADLO CC(=O)N1C[C@H](O)C[C@H]1C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC001143036472 779766043 /nfs/dbraw/zinc/76/60/43/779766043.db2.gz LXICFEBVQUZPPY-WOPDTQHZSA-N 1 2 285.344 -1.585 20 0 CAADLO CC(=O)N1C[C@H](O)C[C@H]1C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC001143036472 779766046 /nfs/dbraw/zinc/76/60/46/779766046.db2.gz LXICFEBVQUZPPY-WOPDTQHZSA-N 1 2 285.344 -1.585 20 0 CAADLO COC(=O)[C@H]1C[N@H+](C)CCN1C(=O)[C@@H]1CCC(=O)N1 ZINC001143125818 779768649 /nfs/dbraw/zinc/76/86/49/779768649.db2.gz QNESOLSODRTTPD-DTWKUNHWSA-N 1 2 269.301 -1.419 20 0 CAADLO COC(=O)[C@H]1C[N@@H+](C)CCN1C(=O)[C@@H]1CCC(=O)N1 ZINC001143125818 779768655 /nfs/dbraw/zinc/76/86/55/779768655.db2.gz QNESOLSODRTTPD-DTWKUNHWSA-N 1 2 269.301 -1.419 20 0 CAADLO COC(=O)[C@H]1C[N@H+](C)CCN1C(=O)[C@@H]1CNC(=O)C1 ZINC001143292599 779772489 /nfs/dbraw/zinc/77/24/89/779772489.db2.gz LEDWYFZGZPAXQB-DTWKUNHWSA-N 1 2 269.301 -1.562 20 0 CAADLO COC(=O)[C@H]1C[N@@H+](C)CCN1C(=O)[C@@H]1CNC(=O)C1 ZINC001143292599 779772495 /nfs/dbraw/zinc/77/24/95/779772495.db2.gz LEDWYFZGZPAXQB-DTWKUNHWSA-N 1 2 269.301 -1.562 20 0 CAADLO CNC(=O)C[N@@H+]1CCCO[C@H](CNC(=O)[C@H](C)OC)C1 ZINC001149292685 779774574 /nfs/dbraw/zinc/77/45/74/779774574.db2.gz LCCPBEFXPRXDCB-WDEREUQCSA-N 1 2 287.360 -1.026 20 0 CAADLO CNC(=O)C[N@H+]1CCCO[C@H](CNC(=O)[C@H](C)OC)C1 ZINC001149292685 779774580 /nfs/dbraw/zinc/77/45/80/779774580.db2.gz LCCPBEFXPRXDCB-WDEREUQCSA-N 1 2 287.360 -1.026 20 0 CAADLO CO[C@@H](C)C(=O)NC[C@H]1C[N@H+](CC(N)=O)CCCO1 ZINC001149295022 779774948 /nfs/dbraw/zinc/77/49/48/779774948.db2.gz YFLJAUAVMQQTPS-UWVGGRQHSA-N 1 2 273.333 -1.286 20 0 CAADLO CO[C@@H](C)C(=O)NC[C@H]1C[N@@H+](CC(N)=O)CCCO1 ZINC001149295022 779774952 /nfs/dbraw/zinc/77/49/52/779774952.db2.gz YFLJAUAVMQQTPS-UWVGGRQHSA-N 1 2 273.333 -1.286 20 0 CAADLO CN(C)C(=O)/C=C/C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC001149202495 779775018 /nfs/dbraw/zinc/77/50/18/779775018.db2.gz JHIQWMUUMCTAED-ZYOFXKKJSA-N 1 2 299.371 -1.218 20 0 CAADLO NC(=O)C[N@@H+]1CCCO[C@@H](CNC(=O)Cc2cc[nH]n2)C1 ZINC001149466288 779779044 /nfs/dbraw/zinc/77/90/44/779779044.db2.gz RXCHOFWPJIMOBO-NSHDSACASA-N 1 2 295.343 -1.355 20 0 CAADLO NC(=O)C[N@H+]1CCCO[C@@H](CNC(=O)Cc2cc[nH]n2)C1 ZINC001149466288 779779049 /nfs/dbraw/zinc/77/90/49/779779049.db2.gz RXCHOFWPJIMOBO-NSHDSACASA-N 1 2 295.343 -1.355 20 0 CAADLO NC(=O)CC(=O)NC[C@@H]1C[N@H+](CC(N)=O)CCCO1 ZINC001149466527 779779283 /nfs/dbraw/zinc/77/92/83/779779283.db2.gz WCSCYJJCKWLBBR-MRVPVSSYSA-N 1 2 272.305 -2.446 20 0 CAADLO NC(=O)CC(=O)NC[C@@H]1C[N@@H+](CC(N)=O)CCCO1 ZINC001149466527 779779286 /nfs/dbraw/zinc/77/92/86/779779286.db2.gz WCSCYJJCKWLBBR-MRVPVSSYSA-N 1 2 272.305 -2.446 20 0 CAADLO Cn1cncc1CCC(=O)NCC[NH2+]Cc1nnnn1C ZINC001149554523 779780048 /nfs/dbraw/zinc/78/00/48/779780048.db2.gz UZZKYKYYFLNSHV-UHFFFAOYSA-N 1 2 292.347 -1.218 20 0 CAADLO Cc1nn(CC(=O)NCC[NH2+]Cc2cnon2)c(=O)n1C ZINC001149576953 779780911 /nfs/dbraw/zinc/78/09/11/779780911.db2.gz RYOKSKQWKJAMNE-UHFFFAOYSA-N 1 2 295.303 -1.821 20 0 CAADLO NC(=O)C[N@@H+]1CCCO[C@H](CNC(=O)CC2(O)CCC2)C1 ZINC001149708774 779782835 /nfs/dbraw/zinc/78/28/35/779782835.db2.gz SNWCJNHMNUYYHM-LLVKDONJSA-N 1 2 299.371 -1.016 20 0 CAADLO NC(=O)C[N@H+]1CCCO[C@H](CNC(=O)CC2(O)CCC2)C1 ZINC001149708774 779782840 /nfs/dbraw/zinc/78/28/40/779782840.db2.gz SNWCJNHMNUYYHM-LLVKDONJSA-N 1 2 299.371 -1.016 20 0 CAADLO NC(=O)C[N@@H+]1CCCO[C@@H](CNC(=O)Cn2nccn2)C1 ZINC001149795879 779783045 /nfs/dbraw/zinc/78/30/45/779783045.db2.gz HQVIDZNKUWBJNL-JTQLQIEISA-N 1 2 296.331 -2.030 20 0 CAADLO NC(=O)C[N@H+]1CCCO[C@@H](CNC(=O)Cn2nccn2)C1 ZINC001149795879 779783051 /nfs/dbraw/zinc/78/30/51/779783051.db2.gz HQVIDZNKUWBJNL-JTQLQIEISA-N 1 2 296.331 -2.030 20 0 CAADLO NC(=O)C[N@@H+]1CCCO[C@H](CNC(=O)Cn2ncnn2)C1 ZINC001149740443 779783066 /nfs/dbraw/zinc/78/30/66/779783066.db2.gz YPJFPIOSYFAPEC-SECBINFHSA-N 1 2 297.319 -2.635 20 0 CAADLO NC(=O)C[N@H+]1CCCO[C@H](CNC(=O)Cn2ncnn2)C1 ZINC001149740443 779783074 /nfs/dbraw/zinc/78/30/74/779783074.db2.gz YPJFPIOSYFAPEC-SECBINFHSA-N 1 2 297.319 -2.635 20 0 CAADLO NC(=O)C[N@@H+]1CCCO[C@@H](CNC(=O)Cn2ncnn2)C1 ZINC001149740445 779783338 /nfs/dbraw/zinc/78/33/38/779783338.db2.gz YPJFPIOSYFAPEC-VIFPVBQESA-N 1 2 297.319 -2.635 20 0 CAADLO NC(=O)C[N@H+]1CCCO[C@@H](CNC(=O)Cn2ncnn2)C1 ZINC001149740445 779783342 /nfs/dbraw/zinc/78/33/42/779783342.db2.gz YPJFPIOSYFAPEC-VIFPVBQESA-N 1 2 297.319 -2.635 20 0 CAADLO Cn1nc(C(=O)NCC[NH2+]Cc2cnon2)ccc1=O ZINC001150129804 779786068 /nfs/dbraw/zinc/78/60/68/779786068.db2.gz CJTLSKMDTYBUAP-UHFFFAOYSA-N 1 2 278.272 -1.317 20 0 CAADLO NC(=O)C[N@@H+]1CCCO[C@H](CNC(=O)Cc2cnoc2)C1 ZINC001150186678 779786695 /nfs/dbraw/zinc/78/66/95/779786695.db2.gz SNZHNIDLBLLIKC-LLVKDONJSA-N 1 2 296.327 -1.091 20 0 CAADLO NC(=O)C[N@H+]1CCCO[C@H](CNC(=O)Cc2cnoc2)C1 ZINC001150186678 779786700 /nfs/dbraw/zinc/78/67/00/779786700.db2.gz SNZHNIDLBLLIKC-LLVKDONJSA-N 1 2 296.327 -1.091 20 0 CAADLO Cn1ccc(C[N@@H+]2CCCO[C@@H](CNC(=O)C(N)=O)C2)n1 ZINC001150211737 779787254 /nfs/dbraw/zinc/78/72/54/779787254.db2.gz KWSYSAZNIAAXPC-NSHDSACASA-N 1 2 295.343 -1.388 20 0 CAADLO Cn1ccc(C[N@H+]2CCCO[C@@H](CNC(=O)C(N)=O)C2)n1 ZINC001150211737 779787258 /nfs/dbraw/zinc/78/72/58/779787258.db2.gz KWSYSAZNIAAXPC-NSHDSACASA-N 1 2 295.343 -1.388 20 0 CAADLO NC(=O)C[N@@H+]1CCCO[C@H](CNC(=O)C(N)=O)C1 ZINC001150219918 779789269 /nfs/dbraw/zinc/78/92/69/779789269.db2.gz SQCSQOJWRCMWNZ-SSDOTTSWSA-N 1 2 258.278 -2.836 20 0 CAADLO NC(=O)C[N@H+]1CCCO[C@H](CNC(=O)C(N)=O)C1 ZINC001150219918 779789274 /nfs/dbraw/zinc/78/92/74/779789274.db2.gz SQCSQOJWRCMWNZ-SSDOTTSWSA-N 1 2 258.278 -2.836 20 0 CAADLO Cn1[nH]c(C[NH2+]CCNC(=O)Cn2cncn2)nc1=O ZINC001150261587 779790048 /nfs/dbraw/zinc/79/00/48/779790048.db2.gz OGDCDYFBWMSRQF-UHFFFAOYSA-N 1 2 280.292 -2.394 20 0 CAADLO Cc1nonc1C[NH2+]CCNC(=O)Cn1cncn1 ZINC001150261541 779790337 /nfs/dbraw/zinc/79/03/37/779790337.db2.gz MHKLQFUGESPRFW-UHFFFAOYSA-N 1 2 265.277 -1.124 20 0 CAADLO O=C(CN1C(=O)CNC1=O)NCC[NH2+]Cc1cnsn1 ZINC001150339213 779791275 /nfs/dbraw/zinc/79/12/75/779791275.db2.gz KRRZIDVFUGDXRZ-UHFFFAOYSA-N 1 2 298.328 -1.704 20 0 CAADLO O=C(CN1C(=O)CNC1=O)NCC[NH2+]Cc1ncccn1 ZINC001150350166 779793349 /nfs/dbraw/zinc/79/33/49/779793349.db2.gz ZLIXPJHATDXKGJ-UHFFFAOYSA-N 1 2 292.299 -1.766 20 0 CAADLO O=C(CC[C@H]1NC(=O)NC1=O)NCC[NH2+]Cc1cnon1 ZINC001150401115 779793484 /nfs/dbraw/zinc/79/34/84/779793484.db2.gz UIIKXPOKNAAMQZ-MRVPVSSYSA-N 1 2 296.287 -1.736 20 0 CAADLO O=C(CN1C(=O)CCC1=O)NCC[NH2+]Cc1cnsn1 ZINC001150467284 779796149 /nfs/dbraw/zinc/79/61/49/779796149.db2.gz PHUCUVBPDSYNBX-UHFFFAOYSA-N 1 2 297.340 -1.107 20 0 CAADLO Cc1nnc(C[NH2+]CCNC(=O)CN2C(=O)CCC2=O)o1 ZINC001150473985 779796449 /nfs/dbraw/zinc/79/64/49/779796449.db2.gz XJVQBICMSHCCDW-UHFFFAOYSA-N 1 2 295.299 -1.267 20 0 CAADLO C[C@H](C[NH+]1CCOCC1)NC(=O)CC[C@H]1NC(=O)NC1=O ZINC000046889049 779797391 /nfs/dbraw/zinc/79/73/91/779797391.db2.gz CBVAGYMLZLXZPE-NXEZZACHSA-N 1 2 298.343 -1.189 20 0 CAADLO NC(=O)C[N@@H+]1CCCO[C@@H](CNC(=O)Cc2nc[nH]n2)C1 ZINC001150579008 779797408 /nfs/dbraw/zinc/79/74/08/779797408.db2.gz IBEKEGOLBFXGGF-VIFPVBQESA-N 1 2 296.331 -1.960 20 0 CAADLO NC(=O)C[N@H+]1CCCO[C@@H](CNC(=O)Cc2nc[nH]n2)C1 ZINC001150579008 779797416 /nfs/dbraw/zinc/79/74/16/779797416.db2.gz IBEKEGOLBFXGGF-VIFPVBQESA-N 1 2 296.331 -1.960 20 0 CAADLO O=C(C[C@H]1CC(=O)NC1=O)N1CC[NH2+][C@@H](c2cn[nH]c2)C1 ZINC001150607102 779797519 /nfs/dbraw/zinc/79/75/19/779797519.db2.gz JONWZSZRXBAEDU-PSASIEDQSA-N 1 2 291.311 -1.065 20 0 CAADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)CC[C@@H]1NC(=O)NC1=O ZINC000046889050 779797780 /nfs/dbraw/zinc/79/77/80/779797780.db2.gz CBVAGYMLZLXZPE-UWVGGRQHSA-N 1 2 298.343 -1.189 20 0 CAADLO O=C(C[C@H]1CC(=O)NC1=O)N1CC[NH2+][C@H](c2cn[nH]c2)C1 ZINC001150607103 779797877 /nfs/dbraw/zinc/79/78/77/779797877.db2.gz JONWZSZRXBAEDU-SCZZXKLOSA-N 1 2 291.311 -1.065 20 0 CAADLO NC(=O)C[N@@H+]1CCCO[C@H](CNC(=O)Cn2cncn2)C1 ZINC001150699907 779798732 /nfs/dbraw/zinc/79/87/32/779798732.db2.gz PBTXVHQDXNFHCZ-SNVBAGLBSA-N 1 2 296.331 -2.030 20 0 CAADLO NC(=O)C[N@H+]1CCCO[C@H](CNC(=O)Cn2cncn2)C1 ZINC001150699907 779798741 /nfs/dbraw/zinc/79/87/41/779798741.db2.gz PBTXVHQDXNFHCZ-SNVBAGLBSA-N 1 2 296.331 -2.030 20 0 CAADLO NC(=O)C[N@@H+]1CCCO[C@@H](CNC(=O)Cn2cncn2)C1 ZINC001150699905 779799278 /nfs/dbraw/zinc/79/92/78/779799278.db2.gz PBTXVHQDXNFHCZ-JTQLQIEISA-N 1 2 296.331 -2.030 20 0 CAADLO NC(=O)C[N@H+]1CCCO[C@@H](CNC(=O)Cn2cncn2)C1 ZINC001150699905 779799287 /nfs/dbraw/zinc/79/92/87/779799287.db2.gz PBTXVHQDXNFHCZ-JTQLQIEISA-N 1 2 296.331 -2.030 20 0 CAADLO NC(=O)CN1CCCO[C@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001150824241 779801103 /nfs/dbraw/zinc/80/11/03/779801103.db2.gz JBRASMGURVGERO-LLVKDONJSA-N 1 2 295.343 -1.425 20 0 CAADLO Cn1[nH]c(CNCCNC(=O)C[NH+]2CCCC2)nc1=O ZINC001151097228 779804820 /nfs/dbraw/zinc/80/48/20/779804820.db2.gz LUXAMLPIFVFCGH-UHFFFAOYSA-N 1 2 282.348 -1.590 20 0 CAADLO CN(C)[C@@H](C(=O)N[C@H]1CCC(=O)NC1=O)c1c[nH+]cn1C ZINC001151525778 779811847 /nfs/dbraw/zinc/81/18/47/779811847.db2.gz FFQMEKXANAHNLN-GZMMTYOYSA-N 1 2 293.327 -1.056 20 0 CAADLO O=C(NCC[NH2+]Cc1cnon1)[C@H]1CCCS1(=O)=O ZINC001151683701 779812852 /nfs/dbraw/zinc/81/28/52/779812852.db2.gz GBJMKNQFNOEXCV-SECBINFHSA-N 1 2 288.329 -1.147 20 0 CAADLO O=C(NC[C@@]1(CO)COCC[NH2+]1)c1ncccc1O ZINC001151816705 779816679 /nfs/dbraw/zinc/81/66/79/779816679.db2.gz FXPJBDPPUVQKQU-GFCCVEGCSA-N 1 2 267.285 -1.132 20 0 CAADLO CCS(=O)(=O)CC(=O)NCC[NH2+]Cc1nnnn1C ZINC001152383183 779822273 /nfs/dbraw/zinc/82/22/73/779822273.db2.gz DGZSUGXDBINYKW-UHFFFAOYSA-N 1 2 290.349 -2.149 20 0 CAADLO CCS(=O)(=O)CC(=O)NCC[NH2+]Cc1cnn(C)n1 ZINC001152377719 779822567 /nfs/dbraw/zinc/82/25/67/779822567.db2.gz VTDFDWTVLUVUKZ-UHFFFAOYSA-N 1 2 289.361 -1.544 20 0 CAADLO C[C@@]1(C(=O)N[C@H](CO)Cc2c[nH]c[nH+]2)CCNC1=O ZINC001152489808 779825342 /nfs/dbraw/zinc/82/53/42/779825342.db2.gz CJAUTIAKCJZPMZ-JOYOIKCWSA-N 1 2 266.301 -1.045 20 0 CAADLO C[C@@]1(C(=O)N[C@H](CO)Cc2c[nH+]c[nH]2)CCNC1=O ZINC001152489808 779825349 /nfs/dbraw/zinc/82/53/49/779825349.db2.gz CJAUTIAKCJZPMZ-JOYOIKCWSA-N 1 2 266.301 -1.045 20 0 CAADLO CC(C)(C(N)=O)C(=O)N[C@H](CO)Cc1c[nH]c[nH+]1 ZINC001152489803 779825499 /nfs/dbraw/zinc/82/54/99/779825499.db2.gz CDUGASXDLBQGHR-QMMMGPOBSA-N 1 2 254.290 -1.059 20 0 CAADLO CC(C)(C(N)=O)C(=O)N[C@H](CO)Cc1c[nH+]c[nH]1 ZINC001152489803 779825507 /nfs/dbraw/zinc/82/55/07/779825507.db2.gz CDUGASXDLBQGHR-QMMMGPOBSA-N 1 2 254.290 -1.059 20 0 CAADLO CC[N@H+](CCS(C)(=O)=O)[C@H](C)CNC(=O)CC(N)=O ZINC001152500248 779825691 /nfs/dbraw/zinc/82/56/91/779825691.db2.gz MWCKEDAZOMOEIU-SECBINFHSA-N 1 2 293.389 -1.267 20 0 CAADLO CC[N@@H+](CCS(C)(=O)=O)[C@H](C)CNC(=O)CC(N)=O ZINC001152500248 779825695 /nfs/dbraw/zinc/82/56/95/779825695.db2.gz MWCKEDAZOMOEIU-SECBINFHSA-N 1 2 293.389 -1.267 20 0 CAADLO CC[N@H+](Cc1nc(=O)n(C)[nH]1)[C@H](C)CNC(=O)CC(N)=O ZINC001152500243 779825944 /nfs/dbraw/zinc/82/59/44/779825944.db2.gz MNWJRJAAPXQJTL-MRVPVSSYSA-N 1 2 298.347 -1.690 20 0 CAADLO CC[N@@H+](Cc1nc(=O)n(C)[nH]1)[C@H](C)CNC(=O)CC(N)=O ZINC001152500243 779825950 /nfs/dbraw/zinc/82/59/50/779825950.db2.gz MNWJRJAAPXQJTL-MRVPVSSYSA-N 1 2 298.347 -1.690 20 0 CAADLO CNC(=O)C1(C(=O)N[C@H](CO)Cc2c[nH]c[nH+]2)CC1 ZINC001152489756 779826000 /nfs/dbraw/zinc/82/60/00/779826000.db2.gz AEOJUAOYRPBGOT-VIFPVBQESA-N 1 2 266.301 -1.045 20 0 CAADLO CNC(=O)C1(C(=O)N[C@H](CO)Cc2c[nH+]c[nH]2)CC1 ZINC001152489756 779826008 /nfs/dbraw/zinc/82/60/08/779826008.db2.gz AEOJUAOYRPBGOT-VIFPVBQESA-N 1 2 266.301 -1.045 20 0 CAADLO CN1CC[C@@H](C(=O)N[C@H](CO)Cc2c[nH]c[nH+]2)C1=O ZINC001152489774 779826192 /nfs/dbraw/zinc/82/61/92/779826192.db2.gz ASJDIQYNXOPWIA-UWVGGRQHSA-N 1 2 266.301 -1.092 20 0 CAADLO CN1CC[C@@H](C(=O)N[C@H](CO)Cc2c[nH+]c[nH]2)C1=O ZINC001152489774 779826194 /nfs/dbraw/zinc/82/61/94/779826194.db2.gz ASJDIQYNXOPWIA-UWVGGRQHSA-N 1 2 266.301 -1.092 20 0 CAADLO Cn1[nH]c(C[NH2+]CCNC(=O)Cn2ccnc2)nc1=O ZINC001153487527 779839924 /nfs/dbraw/zinc/83/99/24/779839924.db2.gz BYJCAXCNHYHLKX-UHFFFAOYSA-N 1 2 279.304 -1.789 20 0 CAADLO Cc1nc[nH]c1C(=O)NCC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001153820996 779846823 /nfs/dbraw/zinc/84/68/23/779846823.db2.gz YOIOBYYYPBVXKB-UHFFFAOYSA-N 1 2 279.304 -1.340 20 0 CAADLO O=C(C[C@@H]1CC(=O)NC1=O)NCC[NH2+]Cc1cnon1 ZINC001153882480 779848129 /nfs/dbraw/zinc/84/81/29/779848129.db2.gz HHBBATQQFSVRDB-SSDOTTSWSA-N 1 2 281.272 -1.672 20 0 CAADLO O=C(C[C@H]1CC(=O)NC1=O)NCC[NH2+]Cc1cnsn1 ZINC001153882246 779848207 /nfs/dbraw/zinc/84/82/07/779848207.db2.gz BKMUQEVGOXVNGE-ZETCQYMHSA-N 1 2 297.340 -1.203 20 0 CAADLO O=C(C[C@H]1CC(=O)NC1=O)NCC[NH2+]Cc1cnon1 ZINC001153882481 779848749 /nfs/dbraw/zinc/84/87/49/779848749.db2.gz HHBBATQQFSVRDB-ZETCQYMHSA-N 1 2 281.272 -1.672 20 0 CAADLO Cc1nnc(C[NH2+]CCNC(=O)C[C@@H]2CC(=O)NC2=O)o1 ZINC001153882549 779848759 /nfs/dbraw/zinc/84/87/59/779848759.db2.gz IVOGHPUZXFOFAI-MRVPVSSYSA-N 1 2 295.299 -1.363 20 0 CAADLO Cc1nonc1C[NH2+]CCNC(=O)C[C@@H]1CC(=O)NC1=O ZINC001153882700 779849672 /nfs/dbraw/zinc/84/96/72/779849672.db2.gz MNSACAIGQUGAIX-MRVPVSSYSA-N 1 2 295.299 -1.363 20 0 CAADLO O=C(C[C@@H]1CC(=O)NC1=O)NCC[NH2+]Cc1nncs1 ZINC001153887317 779850052 /nfs/dbraw/zinc/85/00/52/779850052.db2.gz RVCGGFXQBRHSJF-SSDOTTSWSA-N 1 2 297.340 -1.203 20 0 CAADLO CC[N@H+](CC(=O)NC)[C@H](C)CNC(=O)c1cn[nH]n1 ZINC001154134543 779853315 /nfs/dbraw/zinc/85/33/15/779853315.db2.gz KZZNHLRUSSQOAW-MRVPVSSYSA-N 1 2 268.321 -1.009 20 0 CAADLO CC[N@@H+](CC(=O)NC)[C@H](C)CNC(=O)c1cn[nH]n1 ZINC001154134543 779853321 /nfs/dbraw/zinc/85/33/21/779853321.db2.gz KZZNHLRUSSQOAW-MRVPVSSYSA-N 1 2 268.321 -1.009 20 0 CAADLO CC[N@@H+](CC(=O)NC)[C@H](C)CNC(=O)c1cnn[nH]1 ZINC001154134543 779853339 /nfs/dbraw/zinc/85/33/39/779853339.db2.gz KZZNHLRUSSQOAW-MRVPVSSYSA-N 1 2 268.321 -1.009 20 0 CAADLO Cn1nnc(C[NH2+]CCCNC(=O)C2=COCCO2)n1 ZINC001154362247 779856633 /nfs/dbraw/zinc/85/66/33/779856633.db2.gz QFISBEFWJFQUJG-UHFFFAOYSA-N 1 2 282.304 -1.306 20 0 CAADLO CCOCC(=O)NCCC[NH2+]Cc1nnn(C)n1 ZINC001154341603 779856768 /nfs/dbraw/zinc/85/67/68/779856768.db2.gz XDNREGXFNPPBKI-UHFFFAOYSA-N 1 2 256.310 -1.158 20 0 CAADLO Cn1nnc(C[NH2+]CCCNC(=O)c2cc[n+]([O-])cc2)n1 ZINC001154372755 779857561 /nfs/dbraw/zinc/85/75/61/779857561.db2.gz FFODGUWSCKGREO-UHFFFAOYSA-N 1 2 291.315 -1.247 20 0 CAADLO O=C(NC(CO)(CO)CO)c1cccc2[nH+]ccn21 ZINC001154526584 779862322 /nfs/dbraw/zinc/86/23/22/779862322.db2.gz WCYYLMMUZDJIAM-UHFFFAOYSA-N 1 2 265.269 -1.220 20 0 CAADLO Cn1nnc(C[NH2+]CCCNC(=O)CCn2cncn2)n1 ZINC001154695695 779863120 /nfs/dbraw/zinc/86/31/20/779863120.db2.gz AZLQWJGLFBDDMB-UHFFFAOYSA-N 1 2 293.335 -1.512 20 0 CAADLO O=C(Cc1c[nH+]c[nH]1)N1CC2(C1)C[C@@H](O)CNC2=O ZINC001154867456 779865645 /nfs/dbraw/zinc/86/56/45/779865645.db2.gz UBMOUQFQRVHCPB-SECBINFHSA-N 1 2 264.285 -1.338 20 0 CAADLO C[C@H]1CN(C(=O)c2cnnn2C)CC[N@@H+]1CCO ZINC001155027330 779868194 /nfs/dbraw/zinc/86/81/94/779868194.db2.gz YKLOCHINTBQXJI-VIFPVBQESA-N 1 2 253.306 -1.046 20 0 CAADLO C[C@H]1CN(C(=O)c2cnnn2C)CC[N@H+]1CCO ZINC001155027330 779868200 /nfs/dbraw/zinc/86/82/00/779868200.db2.gz YKLOCHINTBQXJI-VIFPVBQESA-N 1 2 253.306 -1.046 20 0 CAADLO O=C(Cn1ccc(=O)[nH]c1=O)NCCc1[nH]cc[nH+]1 ZINC000135070766 779870502 /nfs/dbraw/zinc/87/05/02/779870502.db2.gz KCGPTYVVPLZFKN-UHFFFAOYSA-N 1 2 263.257 -1.381 20 0 CAADLO CO[C@@H](C)C(=O)NCCC[NH2+]Cc1nnn(C)n1 ZINC001155235724 779871297 /nfs/dbraw/zinc/87/12/97/779871297.db2.gz CPJFEHHBCLQTDJ-QMMMGPOBSA-N 1 2 256.310 -1.159 20 0 CAADLO CO[C@H](C)C(=O)NCCC[NH2+]Cc1nnn(C)n1 ZINC001155235723 779871820 /nfs/dbraw/zinc/87/18/20/779871820.db2.gz CPJFEHHBCLQTDJ-MRVPVSSYSA-N 1 2 256.310 -1.159 20 0 CAADLO CCCC(=O)NCC(=O)NCCC[NH2+]Cc1nnn(C)n1 ZINC001155278493 779872088 /nfs/dbraw/zinc/87/20/88/779872088.db2.gz GTARNCZJTLUBBF-UHFFFAOYSA-N 1 2 297.363 -1.278 20 0 CAADLO Cn1nnc(C[NH2+]CCCNC(=O)[C@@H]2CCOC2)n1 ZINC001155440704 779872359 /nfs/dbraw/zinc/87/23/59/779872359.db2.gz VKBATZVCRWBPSG-SECBINFHSA-N 1 2 268.321 -1.158 20 0 CAADLO Cn1nnc(C[NH2+]CCCNC(=O)[C@H]2CCOC2)n1 ZINC001155440705 779873226 /nfs/dbraw/zinc/87/32/26/779873226.db2.gz VKBATZVCRWBPSG-VIFPVBQESA-N 1 2 268.321 -1.158 20 0 CAADLO COC(=O)[C@H]1C[C@H]1C(=O)NCCC[NH2+]Cc1nnn(C)n1 ZINC001155615361 779874958 /nfs/dbraw/zinc/87/49/58/779874958.db2.gz UCTGZGSYDOTKBO-BDAKNGLRSA-N 1 2 296.331 -1.385 20 0 CAADLO COC(=O)[C@H]1C[C@@H]1C(=O)NCCC[NH2+]Cc1nnn(C)n1 ZINC001155615370 779875317 /nfs/dbraw/zinc/87/53/17/779875317.db2.gz UCTGZGSYDOTKBO-IUCAKERBSA-N 1 2 296.331 -1.385 20 0 CAADLO COC(=O)[C@@H]1C[C@H]1C(=O)NCCC[NH2+]Cc1nnn(C)n1 ZINC001155615372 779875460 /nfs/dbraw/zinc/87/54/60/779875460.db2.gz UCTGZGSYDOTKBO-RKDXNWHRSA-N 1 2 296.331 -1.385 20 0 CAADLO CCC(=O)NCC(=O)NCCC[NH2+]Cc1nnn(C)n1 ZINC001155802507 779877269 /nfs/dbraw/zinc/87/72/69/779877269.db2.gz JXCLEWRNSCJQMV-UHFFFAOYSA-N 1 2 283.336 -1.668 20 0 CAADLO CC(C)(C)n1nnc(C[NH2+]CCCNC(=O)CC(N)=O)n1 ZINC001156024952 779881399 /nfs/dbraw/zinc/88/13/99/779881399.db2.gz DNZRVYZYLVUNPK-UHFFFAOYSA-N 1 2 297.363 -1.101 20 0 CAADLO CNC(=O)CCCC(=O)NCCC[NH2+]Cc1nnn(C)n1 ZINC001156869106 779891498 /nfs/dbraw/zinc/89/14/98/779891498.db2.gz VUWLWWBTBJYYPN-UHFFFAOYSA-N 1 2 297.363 -1.278 20 0 CAADLO [NH3+][C@@H](Cc1nn[nH]n1)C(=O)NCc1cc2n(n1)CCCO2 ZINC001157082288 779895159 /nfs/dbraw/zinc/89/51/59/779895159.db2.gz KHNVNBHWROUWEJ-QMMMGPOBSA-N 1 2 292.303 -1.635 20 0 CAADLO OCC(CO)(CO)Nc1cc(N2CCOCC2)nc[nH+]1 ZINC001157149680 779897376 /nfs/dbraw/zinc/89/73/76/779897376.db2.gz RVRXCKPWMGJEFJ-UHFFFAOYSA-N 1 2 284.316 -1.559 20 0 CAADLO OCC(CO)(CO)Nc1cc(N2CCOCC2)[nH+]cn1 ZINC001157149680 779897380 /nfs/dbraw/zinc/89/73/80/779897380.db2.gz RVRXCKPWMGJEFJ-UHFFFAOYSA-N 1 2 284.316 -1.559 20 0 CAADLO Cn1nnc(C[NH2+]CCCNC(=O)[C@H]2COC(=O)N2)n1 ZINC001157360151 779900567 /nfs/dbraw/zinc/90/05/67/779900567.db2.gz FQJQCJDBBGKSQE-SSDOTTSWSA-N 1 2 283.292 -2.086 20 0 CAADLO Cn1cc(C(=O)NCCC[NH2+]Cc2nnn(C)n2)nn1 ZINC001157454644 779904842 /nfs/dbraw/zinc/90/48/42/779904842.db2.gz PRMUXXYVUIRSQX-UHFFFAOYSA-N 1 2 279.308 -1.752 20 0 CAADLO CNC(=O)NCCC(=O)NCCC[NH2+]Cc1nnn(C)n1 ZINC001157501840 779905240 /nfs/dbraw/zinc/90/52/40/779905240.db2.gz FZHVTWAXAZXOHG-UHFFFAOYSA-N 1 2 298.351 -1.875 20 0 CAADLO CNC(=O)C1CCN(C(=O)[C@@H]([NH3+])Cc2nn[nH]n2)CC1 ZINC001157495279 779905479 /nfs/dbraw/zinc/90/54/79/779905479.db2.gz HCZUGFRXCHTHPK-QMMMGPOBSA-N 1 2 281.320 -1.946 20 0 CAADLO CCn1ncc(C(=O)NCCC[NH2+]Cc2nnn(C)n2)n1 ZINC001157521077 779906408 /nfs/dbraw/zinc/90/64/08/779906408.db2.gz QMXYLAODAQAXTG-UHFFFAOYSA-N 1 2 293.335 -1.269 20 0 CAADLO COC(=O)N1CCN(C(=O)[C@@H]([NH3+])Cc2nn[nH]n2)CC1 ZINC001157507258 779906575 /nfs/dbraw/zinc/90/65/75/779906575.db2.gz HFENTHKMUVOKRK-ZETCQYMHSA-N 1 2 283.292 -2.020 20 0 CAADLO CCn1nncc1C(=O)NCCC[NH2+]Cc1nnn(C)n1 ZINC001157532271 779907782 /nfs/dbraw/zinc/90/77/82/779907782.db2.gz KDRNMEUODODCAF-UHFFFAOYSA-N 1 2 293.335 -1.269 20 0 CAADLO CCNC(=O)CN(C)C(=O)[C@@H]([NH3+])Cc1nn[nH]n1 ZINC001157673277 779909293 /nfs/dbraw/zinc/90/92/93/779909293.db2.gz LPHDCIJTNSAAEQ-LURJTMIESA-N 1 2 255.282 -2.336 20 0 CAADLO [NH3+][C@@H](Cc1nn[nH]n1)C(=O)N1Cc2cncnc2C1 ZINC001157708268 779911073 /nfs/dbraw/zinc/91/10/73/779911073.db2.gz MXIRFTHRQFIWGT-ZETCQYMHSA-N 1 2 260.261 -1.598 20 0 CAADLO COC(=O)[C@H]1C[N@H+](C)CCN1c1cncc(C(N)=O)n1 ZINC001157770776 779913639 /nfs/dbraw/zinc/91/36/39/779913639.db2.gz QVYOSFFHTCCTSJ-SECBINFHSA-N 1 2 279.300 -1.131 20 0 CAADLO COC(=O)[C@H]1C[N@@H+](C)CCN1c1cncc(C(N)=O)n1 ZINC001157770776 779913644 /nfs/dbraw/zinc/91/36/44/779913644.db2.gz QVYOSFFHTCCTSJ-SECBINFHSA-N 1 2 279.300 -1.131 20 0 CAADLO O=C([C@@H]1COCC[NH2+]1)N1CC(=O)N(C2CC2)C(=O)C1 ZINC001157862475 779915307 /nfs/dbraw/zinc/91/53/07/779915307.db2.gz FRECUOJOCWIAPR-VIFPVBQESA-N 1 2 267.285 -1.665 20 0 CAADLO [NH3+][C@@H](Cc1nn[nH]n1)C(=O)N1CCCNC(=O)C1 ZINC001157889580 779916223 /nfs/dbraw/zinc/91/62/23/779916223.db2.gz MLHSRCJUTYRCBQ-LURJTMIESA-N 1 2 253.266 -2.582 20 0 CAADLO [NH3+][C@@H](Cc1nn[nH]n1)C(=O)N1C[C@@H](CO)CC(F)(F)C1 ZINC001157900003 779916380 /nfs/dbraw/zinc/91/63/80/779916380.db2.gz DHWXIJWYKDASKM-BQBZGAKWSA-N 1 2 290.274 -1.454 20 0 CAADLO Cn1nnc(C[NH2+]CCCNC(=O)CO[C@@H]2CCOC2)n1 ZINC001157932439 779917344 /nfs/dbraw/zinc/91/73/44/779917344.db2.gz NZCUMGCXHDJFGN-SNVBAGLBSA-N 1 2 298.347 -1.389 20 0 CAADLO [NH3+][C@@H](Cc1nn[nH]n1)C(=O)N1CC[C@@H](CO)[C@H](O)C1 ZINC001157905346 779917437 /nfs/dbraw/zinc/91/74/37/779917437.db2.gz SRSCUMJWBNSPJN-BIIVOSGPSA-N 1 2 270.293 -2.729 20 0 CAADLO [NH3+][C@@H](Cc1nn[nH]n1)C(=O)N1CCC[C@@](F)(CO)CC1 ZINC001157935318 779918469 /nfs/dbraw/zinc/91/84/69/779918469.db2.gz UAPYLLRGUSCGOZ-KWQFWETISA-N 1 2 286.311 -1.217 20 0 CAADLO COC(=O)[C@@H]([NH3+])CC(=O)N1CC[C@@H](O)[C@@H](CO)C1 ZINC001157935008 779918535 /nfs/dbraw/zinc/91/85/35/779918535.db2.gz QAVCUUJLQMCSLE-HRDYMLBCSA-N 1 2 260.290 -1.922 20 0 CAADLO COC(=O)[C@@H]([NH3+])CC(=O)N1CC[C@H](O)[C@@H](CO)C1 ZINC001157935009 779918712 /nfs/dbraw/zinc/91/87/12/779918712.db2.gz QAVCUUJLQMCSLE-VGMNWLOBSA-N 1 2 260.290 -1.922 20 0 CAADLO CCNC(=O)c1ccc(-n2[nH]c(=O)nc2C[NH3+])nn1 ZINC001157941050 779919642 /nfs/dbraw/zinc/91/96/42/779919642.db2.gz UBKARSMYGTWLCO-UHFFFAOYSA-N 1 2 263.261 -1.029 20 0 CAADLO COC(=O)[C@@H]([NH3+])CC(=O)N1CC[C@@H](O)[C@](C)(CO)C1 ZINC001157947617 779920862 /nfs/dbraw/zinc/92/08/62/779920862.db2.gz VUAFPNYNWRNLOI-SBMIAAHKSA-N 1 2 274.317 -1.531 20 0 CAADLO COC(=O)[C@@H]([NH3+])CC(=O)N1CC[C@H](O)[C@@](C)(CO)C1 ZINC001157947616 779921178 /nfs/dbraw/zinc/92/11/78/779921178.db2.gz VUAFPNYNWRNLOI-HOTUBEGUSA-N 1 2 274.317 -1.531 20 0 CAADLO [NH3+][C@@H](Cc1nn[nH]n1)C(=O)N1CCc2n[nH]cc2C1 ZINC001157988531 779923339 /nfs/dbraw/zinc/92/33/39/779923339.db2.gz FQFOJBAJZMCHSG-ZETCQYMHSA-N 1 2 262.277 -1.623 20 0 CAADLO CC(C)(C)N(C[C@@H](O)CO)C(=O)[C@@H]([NH3+])Cc1nn[nH]n1 ZINC001158016452 779924417 /nfs/dbraw/zinc/92/44/17/779924417.db2.gz XVPKTECRXQJJNN-SFYZADRCSA-N 1 2 286.336 -1.950 20 0 CAADLO COC(=O)[C@@H]([NH3+])CC(=O)N1CCC2(CC1)COCC(=O)N2 ZINC001158327300 779932153 /nfs/dbraw/zinc/93/21/53/779932153.db2.gz YGMJRLLZUNIHBT-VIFPVBQESA-N 1 2 299.327 -1.616 20 0 CAADLO CCC(=O)N[C@H](C)C(=O)NCCC[NH2+]Cc1nnn(C)n1 ZINC001158662619 779937761 /nfs/dbraw/zinc/93/77/61/779937761.db2.gz AEIMDWFAOZDNKZ-SECBINFHSA-N 1 2 297.363 -1.279 20 0 CAADLO C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)[C@@H]([NH3+])Cc1nnn[n-]1 ZINC001158626464 779937973 /nfs/dbraw/zinc/93/79/73/779937973.db2.gz PNMYBERJDAWJGU-YIZRAAEISA-N 1 2 267.337 -1.380 20 0 CAADLO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)[C@@H]([NH3+])Cc1nnn[n-]1 ZINC001158626464 779937976 /nfs/dbraw/zinc/93/79/76/779937976.db2.gz PNMYBERJDAWJGU-YIZRAAEISA-N 1 2 267.337 -1.380 20 0 CAADLO [NH3+][C@@H](Cc1nn[nH]n1)C(=O)N1CCCC(=O)CC1 ZINC001158658123 779938071 /nfs/dbraw/zinc/93/80/71/779938071.db2.gz ISOSQEPZRXILQG-QMMMGPOBSA-N 1 2 252.278 -1.349 20 0 CAADLO CNC(=O)NCC(=O)NCCC[NH2+]Cc1nnn(C)n1 ZINC001159341373 779946767 /nfs/dbraw/zinc/94/67/67/779946767.db2.gz UOWRZVNBNWJHEX-UHFFFAOYSA-N 1 2 284.324 -2.265 20 0 CAADLO COC(=O)[C@H]1C(=O)NCCN1Cc1c[nH+]cn1C ZINC001204389008 779952397 /nfs/dbraw/zinc/95/23/97/779952397.db2.gz KOZMYMHPHFBSQF-SECBINFHSA-N 1 2 252.274 -1.107 20 0 CAADLO CN1C[C@@H]2CN(C(=O)[C@@H]([NH3+])Cc3nn[nH]n3)C[C@@H]2C1=O ZINC001159886210 779953310 /nfs/dbraw/zinc/95/33/10/779953310.db2.gz JWSBKYDYBNWBEM-CSMHCCOUSA-N 1 2 279.304 -2.384 20 0 CAADLO COC(=O)[C@@H]([NH3+])CC(=O)N1C[C@H]2CN(C)C(=O)[C@H]2C1 ZINC001159887537 779953452 /nfs/dbraw/zinc/95/34/52/779953452.db2.gz WOVKQNPNSSARPL-VGMNWLOBSA-N 1 2 269.301 -1.577 20 0 CAADLO COC(=O)[C@@H]([NH3+])CC(=O)N1CCN(S(C)(=O)=O)CC1 ZINC001160432210 779958033 /nfs/dbraw/zinc/95/80/33/779958033.db2.gz OWARTRUFUNKSIB-QMMMGPOBSA-N 1 2 293.345 -2.019 20 0 CAADLO [NH3+][C@@H](Cc1nn[nH]n1)C(=O)N1CCC2(C1)OCCO2 ZINC001160470708 779961458 /nfs/dbraw/zinc/96/14/58/779961458.db2.gz FMFTZHPIYKZBIT-ZETCQYMHSA-N 1 2 268.277 -1.955 20 0 CAADLO CN(C)C(=O)CN(C)C(=O)[C@@H]([NH3+])Cc1nn[nH]n1 ZINC001160503674 779964330 /nfs/dbraw/zinc/96/43/30/779964330.db2.gz BOMUAGQIBOKCBR-LURJTMIESA-N 1 2 255.282 -2.384 20 0 CAADLO Cn1ncc2c1CN(C(=O)[C@@H]([NH3+])Cc1nn[nH]n1)C2 ZINC001160565202 779966957 /nfs/dbraw/zinc/96/69/57/779966957.db2.gz OCEBLPPCFFJIEZ-ZETCQYMHSA-N 1 2 262.277 -1.655 20 0 CAADLO CCOC(=O)[C@H]1CN(C(=O)C[C@H]([NH3+])C(=O)OC)CCO1 ZINC001160596625 779968080 /nfs/dbraw/zinc/96/80/80/779968080.db2.gz JQUQHKWTQKRYNN-DTWKUNHWSA-N 1 2 288.300 -1.333 20 0 CAADLO Cn1nnc(C[NH2+]CCCNC(=O)c2cnc[nH]c2=O)n1 ZINC001160639440 779971161 /nfs/dbraw/zinc/97/11/61/779971161.db2.gz COQLEFWFGMIIMV-UHFFFAOYSA-N 1 2 292.303 -1.385 20 0 CAADLO COC(=O)[C@@H]([NH3+])CC(=O)N1CCN2C(=O)OC[C@H]2C1 ZINC001160640761 779972210 /nfs/dbraw/zinc/97/22/10/779972210.db2.gz OOCQVODCVPEAJK-SFYZADRCSA-N 1 2 271.273 -1.460 20 0 CAADLO [NH3+][C@@H](Cc1nn[nH]n1)C(=O)N1CCN2C(=O)CC[C@@H]2C1 ZINC001160647368 779973912 /nfs/dbraw/zinc/97/39/12/779973912.db2.gz JBJSXCHPPGUERG-SFYZADRCSA-N 1 2 279.304 -2.097 20 0 CAADLO COC(=O)[C@@H]([NH3+])CC(=O)N1CCO[C@@H](C(N)=O)C1 ZINC001160704331 779976359 /nfs/dbraw/zinc/97/63/59/779976359.db2.gz JPHQJQXZFJTJJQ-NKWVEPMBSA-N 1 2 259.262 -2.411 20 0 CAADLO CCN(CCn1cccn1)C(=O)[C@@H]([NH3+])Cc1nn[nH]n1 ZINC001160693392 779976530 /nfs/dbraw/zinc/97/65/30/779976530.db2.gz LYUOHNONBBONDS-VIFPVBQESA-N 1 2 278.320 -1.185 20 0 CAADLO [NH3+][C@@H](Cc1nn[nH]n1)C(=O)N1CCC(=O)C(F)(F)C1 ZINC001160663396 779976618 /nfs/dbraw/zinc/97/66/18/779976618.db2.gz GFPGFGUKLJFUDI-YFKPBYRVSA-N 1 2 274.231 -1.494 20 0 CAADLO CC(C)[C@@H]1COCCN1C(=O)[C@@H]([NH3+])Cc1nn[nH]n1 ZINC001160669808 779977085 /nfs/dbraw/zinc/97/70/85/779977085.db2.gz MOSVGHHMKLCBKD-IUCAKERBSA-N 1 2 268.321 -1.047 20 0 CAADLO [NH3+][C@@H](Cc1nn[nH]n1)C(=O)N1CCO[C@H](C(F)(F)F)C1 ZINC001160705705 779978574 /nfs/dbraw/zinc/97/85/74/779978574.db2.gz QKMFJRMWROKGRD-WDSKDSINSA-N 1 2 294.237 -1.141 20 0 CAADLO COC(=O)[C@H](C)N(C)C(=O)[C@@H]([NH3+])Cc1nn[nH]n1 ZINC001160718141 779978877 /nfs/dbraw/zinc/97/88/77/779978877.db2.gz BJDGWHCHEMMLFW-WDSKDSINSA-N 1 2 256.266 -1.911 20 0 CAADLO [NH3+][C@@H](Cc1nn[nH]n1)C(=O)N1CCN2C(=O)COC[C@H]2C1 ZINC001160790261 779980816 /nfs/dbraw/zinc/98/08/16/779980816.db2.gz MLCLOVDEOKYEBZ-SFYZADRCSA-N 1 2 295.303 -2.861 20 0 CAADLO COC(=O)C[C@@H]1CCCN(C(=O)[C@@H]([NH3+])Cc2nn[nH]n2)C1 ZINC001160833251 779982329 /nfs/dbraw/zinc/98/23/29/779982329.db2.gz PEGFYZPUASWBKB-IUCAKERBSA-N 1 2 296.331 -1.129 20 0 CAADLO COC(=O)C[C@H]1CCCN(C(=O)[C@@H]([NH3+])Cc2nn[nH]n2)C1 ZINC001160833250 779982367 /nfs/dbraw/zinc/98/23/67/779982367.db2.gz PEGFYZPUASWBKB-BDAKNGLRSA-N 1 2 296.331 -1.129 20 0 CAADLO COC(=O)[C@@H]([NH3+])CC(=O)N1CCN(C)[C@H](C(=O)OC)C1 ZINC001160870221 779984104 /nfs/dbraw/zinc/98/41/04/779984104.db2.gz AVVNMSBVSYTYKH-IUCAKERBSA-N 1 2 287.316 -1.808 20 0 CAADLO COC(=O)[C@@H]([NH3+])CC(=O)N1CCN(C)[C@@H](C(=O)OC)C1 ZINC001160870218 779984243 /nfs/dbraw/zinc/98/42/43/779984243.db2.gz AVVNMSBVSYTYKH-DTWKUNHWSA-N 1 2 287.316 -1.808 20 0 CAADLO CCOC(=O)[C@H]1[C@@H]2CN(C(=O)[C@@H]([NH3+])Cc3nn[nH]n3)C[C@@H]21 ZINC001160878276 779984961 /nfs/dbraw/zinc/98/49/61/779984961.db2.gz IREZXOCGMMJLDA-PYHGXSLLSA-N 1 2 294.315 -1.663 20 0 CAADLO COC(=O)[C@@H]([NH3+])CC(=O)N1CC(=O)N(C)C[C@@H]1C ZINC001160941566 779987619 /nfs/dbraw/zinc/98/76/19/779987619.db2.gz MVGFSYVOVSODDX-YUMQZZPRSA-N 1 2 257.290 -1.434 20 0 CAADLO NC(=S)C1CCN(C(=O)[C@@H]([NH3+])Cc2nn[nH]n2)CC1 ZINC001161030643 779991114 /nfs/dbraw/zinc/99/11/14/779991114.db2.gz CWMPVGVIASEFAS-ZETCQYMHSA-N 1 2 283.361 -1.406 20 0 CAADLO CCOC(=O)[C@H]1COCCN1C(=O)C[C@H]([NH3+])C(=O)OC ZINC001161093417 779995782 /nfs/dbraw/zinc/99/57/82/779995782.db2.gz NOBYLIHUIRICLZ-DTWKUNHWSA-N 1 2 288.300 -1.333 20 0 CAADLO CCN(CCC(=O)OC)C(=O)[C@@H]([NH3+])Cc1nn[nH]n1 ZINC001161132544 779996781 /nfs/dbraw/zinc/99/67/81/779996781.db2.gz OVSLDAWJTYQECV-ZETCQYMHSA-N 1 2 270.293 -1.519 20 0 CAADLO CO[C@@H](C)C1CN(C(=O)[C@@H]([NH3+])Cc2nn[nH]n2)C1 ZINC001161147075 779999072 /nfs/dbraw/zinc/99/90/72/779999072.db2.gz UWVZKGVBCXWBJK-XPUUQOCRSA-N 1 2 254.294 -1.437 20 0 CAADLO COC(=O)[C@]1([NH3+])CCN(C(=O)c2nc(N)cn2C)C1 ZINC001161139184 779999389 /nfs/dbraw/zinc/99/93/89/779999389.db2.gz MTTQEHUEPOGSRC-NSHDSACASA-N 1 2 267.289 -1.281 20 0 CAADLO COC(=O)[C@@H]([NH3+])CC(=O)N1Cc2ccnn2CC[C@@H]1CO ZINC001161171520 780000782 /nfs/dbraw/zinc/00/07/82/780000782.db2.gz POQLAPLXRPKYQV-MNOVXSKESA-N 1 2 296.327 -1.133 20 0 CAADLO CN(C(=O)[C@@H]([NH3+])Cc1nn[nH]n1)[C@@H]1CCC2(C1)OCCO2 ZINC001161220313 780001672 /nfs/dbraw/zinc/00/16/72/780001672.db2.gz XQIUBJHOFGBWBC-BDAKNGLRSA-N 1 2 296.331 -1.177 20 0 CAADLO CN(C(=O)[C@@H]([NH3+])Cc1nn[nH]n1)[C@H]1CCC2(C1)OCCO2 ZINC001161220315 780001956 /nfs/dbraw/zinc/00/19/56/780001956.db2.gz XQIUBJHOFGBWBC-IUCAKERBSA-N 1 2 296.331 -1.177 20 0 CAADLO CC(=O)N[C@@H]1CCCN(C(=O)[C@@H]([NH3+])Cc2nn[nH]n2)C1 ZINC001161271161 780005436 /nfs/dbraw/zinc/00/54/36/780005436.db2.gz WCAXXFSMLORSHG-BDAKNGLRSA-N 1 2 281.320 -1.803 20 0 CAADLO [NH3+][C@@H](Cc1nnn[n-]1)C(=O)N1CC[N@@H+]2CC[C@@H]2C1 ZINC001161420046 780011480 /nfs/dbraw/zinc/01/14/80/780011480.db2.gz CYPBKQJVFYRUPV-SFYZADRCSA-N 1 2 251.294 -2.014 20 0 CAADLO [NH3+][C@@H](Cc1nnn[n-]1)C(=O)N1CC[N@H+]2CC[C@@H]2C1 ZINC001161420046 780011486 /nfs/dbraw/zinc/01/14/86/780011486.db2.gz CYPBKQJVFYRUPV-SFYZADRCSA-N 1 2 251.294 -2.014 20 0 CAADLO CC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])Cc1nn[nH]n1 ZINC001161527191 780021058 /nfs/dbraw/zinc/02/10/58/780021058.db2.gz WQQVQFUUUFWQGB-YUMQZZPRSA-N 1 2 252.278 -1.351 20 0 CAADLO COCCOC1CN(C(=O)[C@@H]([NH3+])Cc2nn[nH]n2)C1 ZINC001161570929 780023077 /nfs/dbraw/zinc/02/30/77/780023077.db2.gz MQYJTGRWQKSRQE-QMMMGPOBSA-N 1 2 270.293 -2.057 20 0 CAADLO C[C@H]1C[N@H+](CCO)CCN1C(=O)c1cn(C)nn1 ZINC001161634770 780024687 /nfs/dbraw/zinc/02/46/87/780024687.db2.gz OKCRXCPXRVPGKL-VIFPVBQESA-N 1 2 253.306 -1.046 20 0 CAADLO C[C@H]1C[N@@H+](CCO)CCN1C(=O)c1cn(C)nn1 ZINC001161634770 780024694 /nfs/dbraw/zinc/02/46/94/780024694.db2.gz OKCRXCPXRVPGKL-VIFPVBQESA-N 1 2 253.306 -1.046 20 0 CAADLO Cn1nnnc1C[NH2+]CCCNC(=O)c1cnn[nH]1 ZINC001161691496 780026232 /nfs/dbraw/zinc/02/62/32/780026232.db2.gz QLQHBVRGXOKAOX-UHFFFAOYSA-N 1 2 265.281 -1.762 20 0 CAADLO CCOC(=O)[C@H]([NH3+])CNc1ccc(S(N)(=O)=O)nn1 ZINC001161951117 780028352 /nfs/dbraw/zinc/02/83/52/780028352.db2.gz YPFOOXBFNAEGOD-ZCFIWIBFSA-N 1 2 289.317 -1.574 20 0 CAADLO CCOC(=O)[C@H]([NH3+])CNc1cncc(C(N)=O)n1 ZINC001161950089 780028504 /nfs/dbraw/zinc/02/85/04/780028504.db2.gz KAKCWOICZPUSCP-ZCFIWIBFSA-N 1 2 253.262 -1.122 20 0 CAADLO [NH3+][C@@H]1NCN(c2n[nH]c(Cl)c3ncnc2-3)[C@H]2NCN[C@H]21 ZINC001162439750 780043694 /nfs/dbraw/zinc/04/36/94/780043694.db2.gz OHATWANADXHIST-NBEYISGCSA-N 1 2 295.738 -1.497 20 0 CAADLO CS(=O)(=O)c1ccc(N2CN[C@H]([NH3+])[C@H]3NCN[C@H]32)nc1 ZINC001162443867 780048617 /nfs/dbraw/zinc/04/86/17/780048617.db2.gz ABYRGEHVFRHTLM-VWYCJHECSA-N 1 2 298.372 -2.018 20 0 CAADLO Cc1nc2cnc(N3CN[C@H]([NH3+])[C@@H]4NCN[C@H]43)nc2[nH]1 ZINC001162446528 780050623 /nfs/dbraw/zinc/05/06/23/780050623.db2.gz IUSOCEVYOZOTGM-NRPADANISA-N 1 2 275.320 -1.890 20 0 CAADLO NC(=O)C1CCN(c2cc(NC[C@@H](O)CO)nc[nH+]2)CC1 ZINC001163349577 780057875 /nfs/dbraw/zinc/05/78/75/780057875.db2.gz FYIFETIALRWQJB-SNVBAGLBSA-N 1 2 295.343 -1.057 20 0 CAADLO NC(=O)C1CCN(c2cc(NC[C@@H](O)CO)[nH+]cn2)CC1 ZINC001163349577 780057865 /nfs/dbraw/zinc/05/78/65/780057865.db2.gz FYIFETIALRWQJB-SNVBAGLBSA-N 1 2 295.343 -1.057 20 0 CAADLO Cn1nnc(C[NH2+]CCCNC(=O)c2csnn2)n1 ZINC001163452014 780059463 /nfs/dbraw/zinc/05/94/63/780059463.db2.gz TVNZHRICAAQJJK-UHFFFAOYSA-N 1 2 282.333 -1.029 20 0 CAADLO Cn1nnc(C[NH2+]CC2(CCNC(=O)CC(N)=O)CC2)n1 ZINC001163911541 780063183 /nfs/dbraw/zinc/06/31/83/780063183.db2.gz LCZZXQBRQASEDJ-UHFFFAOYSA-N 1 2 295.347 -1.538 20 0 CAADLO Cn1nnc(C[NH2+]CCCNC(=O)[C@@H]2CC[C@H]2C(N)=O)n1 ZINC001163922380 780064611 /nfs/dbraw/zinc/06/46/11/780064611.db2.gz FCAVJDLPSCHDRJ-RKDXNWHRSA-N 1 2 295.347 -1.683 20 0 CAADLO Cn1nnc(C[NH2+]CCCNC(=O)[C@@H]2CN(C)C(=O)N2)n1 ZINC001163939268 780065230 /nfs/dbraw/zinc/06/52/30/780065230.db2.gz HYLFJJAQBOYZLT-QMMMGPOBSA-N 1 2 296.335 -2.170 20 0 CAADLO Cn1nnc(C[NH2+]CCCNC(=O)c2nnn(C)n2)n1 ZINC001164148061 780069660 /nfs/dbraw/zinc/06/96/60/780069660.db2.gz JGKQJZCXIHQFSQ-UHFFFAOYSA-N 1 2 280.296 -2.357 20 0 CAADLO COC(=O)[C@@H]1C[C@H](Nc2ccnc(C(N)=O)c2)C[NH2+]1 ZINC001164308470 780071981 /nfs/dbraw/zinc/07/19/81/780071981.db2.gz LLVNUGURONURMP-WPRPVWTQSA-N 1 2 264.285 -1.082 20 0 CAADLO Cn1nnc(C[NH2+]CCCNC(=O)[C@H]2CCC(=O)N2C)n1 ZINC001164477117 780073522 /nfs/dbraw/zinc/07/35/22/780073522.db2.gz MGUGCEVDAZVKHF-SECBINFHSA-N 1 2 295.347 -1.573 20 0 CAADLO CCc1nc(C[NH2+]CCCNC(=O)[C@H]2CNC(=O)N2)no1 ZINC001165468795 780081922 /nfs/dbraw/zinc/08/19/22/780081922.db2.gz UFUZDYZDHBLRAY-MRVPVSSYSA-N 1 2 296.331 -1.091 20 0 CAADLO CCc1nc(C[NH2+]CCCNC(=O)[C@@H]2CNC(=O)N2)no1 ZINC001165468796 780082205 /nfs/dbraw/zinc/08/22/05/780082205.db2.gz UFUZDYZDHBLRAY-QMMMGPOBSA-N 1 2 296.331 -1.091 20 0 CAADLO Cn1nnc(C[NH2+]CCCNC(=O)C2(C(N)=O)CC2)n1 ZINC001165595930 780083104 /nfs/dbraw/zinc/08/31/04/780083104.db2.gz GFASKKSNECROBW-UHFFFAOYSA-N 1 2 281.320 -1.929 20 0 CAADLO COCCc1nc(C[NH2+]CCCNC(=O)C(N)=O)no1 ZINC001165618821 780086514 /nfs/dbraw/zinc/08/65/14/780086514.db2.gz CNWKDYRLZNLVAL-UHFFFAOYSA-N 1 2 285.304 -1.660 20 0 CAADLO Cn1nnc(C[NH2+]CCCNC(=O)c2cn(C)c(=O)[nH]2)n1 ZINC001165837534 780088955 /nfs/dbraw/zinc/08/89/55/780088955.db2.gz KHLNXTBPPRWNRE-UHFFFAOYSA-N 1 2 294.319 -1.441 20 0 CAADLO Cn1nnc(C[NH2+]CCCNC(=O)[C@]2(C)CCNC2=O)n1 ZINC001166554149 780091254 /nfs/dbraw/zinc/09/12/54/780091254.db2.gz XNQJVXVRYTVHPE-LBPRGKRZSA-N 1 2 295.347 -1.668 20 0 CAADLO Cn1nnc(C[NH2+]CC2(CCNC(=O)C(N)=O)CC2)n1 ZINC001166923480 780098156 /nfs/dbraw/zinc/09/81/56/780098156.db2.gz JPHFJRBRUXHFJE-UHFFFAOYSA-N 1 2 281.320 -1.929 20 0 CAADLO CCCNC(=O)C[NH+]1CC([C@@H](C)NC(=O)C(N)=O)C1 ZINC001276420483 780101078 /nfs/dbraw/zinc/10/10/78/780101078.db2.gz BWJARDJZQTYRJY-MRVPVSSYSA-N 1 2 270.333 -1.566 20 0 CAADLO CCCNC(=O)C[NH+]1CC([C@H](C)NC(=O)C(N)=O)C1 ZINC001276420484 780101306 /nfs/dbraw/zinc/10/13/06/780101306.db2.gz BWJARDJZQTYRJY-QMMMGPOBSA-N 1 2 270.333 -1.566 20 0 CAADLO C[C@@H](NC(=O)[C@@]1(C)CCNC1=O)C1C[NH+](CC(N)=O)C1 ZINC001276433457 780101730 /nfs/dbraw/zinc/10/17/30/780101730.db2.gz VHRFLLRJNDSCEQ-OQPBUACISA-N 1 2 282.344 -1.566 20 0 CAADLO C[C@H](NC(=O)[C@]1(C)CCNC1=O)C1C[NH+](CC(N)=O)C1 ZINC001276433455 780101721 /nfs/dbraw/zinc/10/17/21/780101721.db2.gz VHRFLLRJNDSCEQ-ISVAXAHUSA-N 1 2 282.344 -1.566 20 0 CAADLO CNC(=O)C[NH+]1CC([C@H](C)NC(=O)C2(C(=O)NC)CC2)C1 ZINC001276440447 780102512 /nfs/dbraw/zinc/10/25/12/780102512.db2.gz WXKGZDXADJFKSQ-VIFPVBQESA-N 1 2 296.371 -1.305 20 0 CAADLO CNC(=O)C[NH+]1CC([C@@H](C)NC(=O)C2(C(=O)NC)CC2)C1 ZINC001276440446 780102605 /nfs/dbraw/zinc/10/26/05/780102605.db2.gz WXKGZDXADJFKSQ-SECBINFHSA-N 1 2 296.371 -1.305 20 0 CAADLO CC[N@@H+](CCOCCO)Cc1cn(CC(N)=O)nn1 ZINC001205503611 780104796 /nfs/dbraw/zinc/10/47/96/780104796.db2.gz DGCFKLMFPKYCJC-UHFFFAOYSA-N 1 2 271.321 -1.406 20 0 CAADLO CC[N@H+](CCOCCO)Cc1cn(CC(N)=O)nn1 ZINC001205503611 780104791 /nfs/dbraw/zinc/10/47/91/780104791.db2.gz DGCFKLMFPKYCJC-UHFFFAOYSA-N 1 2 271.321 -1.406 20 0 CAADLO Cc1nonc1C[N@H+]1C[C@@H](C)[C@H](NC(=O)CNC(N)=O)C1 ZINC001205936910 780107496 /nfs/dbraw/zinc/10/74/96/780107496.db2.gz BIQJGEJFPHNWED-VXNVDRBHSA-N 1 2 296.331 -1.017 20 0 CAADLO Cc1nonc1C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CNC(N)=O)C1 ZINC001205936910 780107503 /nfs/dbraw/zinc/10/75/03/780107503.db2.gz BIQJGEJFPHNWED-VXNVDRBHSA-N 1 2 296.331 -1.017 20 0 CAADLO CNC(=O)C[N@H+](C)C[C@@H]1O[C@H]2OC(C)(C)O[C@H]2[C@@H]1O ZINC001205925714 780108208 /nfs/dbraw/zinc/10/82/08/780108208.db2.gz YPFCGSZBRODDHS-VFRUTBLMSA-N 1 2 274.317 -1.099 20 0 CAADLO CNC(=O)C[N@@H+](C)C[C@@H]1O[C@H]2OC(C)(C)O[C@H]2[C@@H]1O ZINC001205925714 780108213 /nfs/dbraw/zinc/10/82/13/780108213.db2.gz YPFCGSZBRODDHS-VFRUTBLMSA-N 1 2 274.317 -1.099 20 0 CAADLO CO[C@@H](C)C(=O)N[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1C ZINC001206332051 780109163 /nfs/dbraw/zinc/10/91/63/780109163.db2.gz BOYHTKRMDLHTSO-HRDYMLBCSA-N 1 2 286.332 -1.347 20 0 CAADLO CO[C@@H](C)C(=O)N[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1C ZINC001206332051 780109167 /nfs/dbraw/zinc/10/91/67/780109167.db2.gz BOYHTKRMDLHTSO-HRDYMLBCSA-N 1 2 286.332 -1.347 20 0 CAADLO CO[C@H](C)C(=O)N[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1C ZINC001206332052 780109316 /nfs/dbraw/zinc/10/93/16/780109316.db2.gz BOYHTKRMDLHTSO-IWSPIJDZSA-N 1 2 286.332 -1.347 20 0 CAADLO CO[C@H](C)C(=O)N[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1C ZINC001206332052 780109320 /nfs/dbraw/zinc/10/93/20/780109320.db2.gz BOYHTKRMDLHTSO-IWSPIJDZSA-N 1 2 286.332 -1.347 20 0 CAADLO C[C@H](O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CS(C)(=O)=O)C1 ZINC001206364624 780109615 /nfs/dbraw/zinc/10/96/15/780109615.db2.gz KOTWEJCUAJTGHU-KXUCPTDWSA-N 1 2 278.374 -1.152 20 0 CAADLO C[C@H](O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CS(C)(=O)=O)C1 ZINC001206364624 780109620 /nfs/dbraw/zinc/10/96/20/780109620.db2.gz KOTWEJCUAJTGHU-KXUCPTDWSA-N 1 2 278.374 -1.152 20 0 CAADLO C[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1NC(=O)c1cn[nH]c1 ZINC001206155702 780109882 /nfs/dbraw/zinc/10/98/82/780109882.db2.gz RIKKMMZRFGIPLF-VXNVDRBHSA-N 1 2 294.315 -1.345 20 0 CAADLO C[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1NC(=O)c1cn[nH]c1 ZINC001206155702 780109884 /nfs/dbraw/zinc/10/98/84/780109884.db2.gz RIKKMMZRFGIPLF-VXNVDRBHSA-N 1 2 294.315 -1.345 20 0 CAADLO C[C@@H]1C[N@H+](Cc2nc(=O)n(C)[nH]2)C[C@H]1NC(=O)CC(N)=O ZINC001206746516 780111723 /nfs/dbraw/zinc/11/17/23/780111723.db2.gz GSGWSGNFZMMQNH-HTQZYQBOSA-N 1 2 296.331 -2.080 20 0 CAADLO C[C@@H]1C[N@@H+](Cc2nc(=O)n(C)[nH]2)C[C@H]1NC(=O)CC(N)=O ZINC001206746516 780111724 /nfs/dbraw/zinc/11/17/24/780111724.db2.gz GSGWSGNFZMMQNH-HTQZYQBOSA-N 1 2 296.331 -2.080 20 0 CAADLO C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1NC(=O)C(C)(C)C(N)=O ZINC001207649830 780118484 /nfs/dbraw/zinc/11/84/84/780118484.db2.gz JQCGMUCLNWJXML-HTQZYQBOSA-N 1 2 270.333 -1.580 20 0 CAADLO C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1NC(=O)C(C)(C)C(N)=O ZINC001207649830 780118487 /nfs/dbraw/zinc/11/84/87/780118487.db2.gz JQCGMUCLNWJXML-HTQZYQBOSA-N 1 2 270.333 -1.580 20 0 CAADLO C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1NC(=O)C(=O)NCC(F)F ZINC001207799686 780120815 /nfs/dbraw/zinc/12/08/15/780120815.db2.gz HQFHLIQRBJRGSR-RNFRBKRXSA-N 1 2 292.286 -1.711 20 0 CAADLO C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1NC(=O)C(=O)NCC(F)F ZINC001207799686 780120819 /nfs/dbraw/zinc/12/08/19/780120819.db2.gz HQFHLIQRBJRGSR-RNFRBKRXSA-N 1 2 292.286 -1.711 20 0 CAADLO CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)[C@@H]1CCC(=O)N1 ZINC000088659908 780124019 /nfs/dbraw/zinc/12/40/19/780124019.db2.gz KWFYIQXLYLNPHQ-DTWKUNHWSA-N 1 2 269.301 -1.372 20 0 CAADLO CCCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(N)=O)C1 ZINC001208449762 780126094 /nfs/dbraw/zinc/12/60/94/780126094.db2.gz DHVUFRCHTVKELS-RKDXNWHRSA-N 1 2 270.333 -1.566 20 0 CAADLO CCCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C(N)=O)C1 ZINC001208449762 780126102 /nfs/dbraw/zinc/12/61/02/780126102.db2.gz DHVUFRCHTVKELS-RKDXNWHRSA-N 1 2 270.333 -1.566 20 0 CAADLO CC[C@H](C)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(N)=O)C1 ZINC001208450250 780126348 /nfs/dbraw/zinc/12/63/48/780126348.db2.gz QSXQNBSLCWLBHO-KXUCPTDWSA-N 1 2 284.360 -1.177 20 0 CAADLO CC[C@H](C)NC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C(N)=O)C1 ZINC001208450250 780126358 /nfs/dbraw/zinc/12/63/58/780126358.db2.gz QSXQNBSLCWLBHO-KXUCPTDWSA-N 1 2 284.360 -1.177 20 0 CAADLO CNC(=O)NC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(N)=O)C1 ZINC001208455349 780126582 /nfs/dbraw/zinc/12/65/82/780126582.db2.gz LWWBSTTZWODVRM-BWZBUEFSSA-N 1 2 299.331 -2.248 20 0 CAADLO CNC(=O)NC(=O)[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)C(N)=O)C1 ZINC001208455349 780126587 /nfs/dbraw/zinc/12/65/87/780126587.db2.gz LWWBSTTZWODVRM-BWZBUEFSSA-N 1 2 299.331 -2.248 20 0 CAADLO CCCCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(N)=O)C1 ZINC001208449960 780126764 /nfs/dbraw/zinc/12/67/64/780126764.db2.gz JERCUIPGGMFINN-NXEZZACHSA-N 1 2 284.360 -1.176 20 0 CAADLO CCCCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C(N)=O)C1 ZINC001208449960 780126768 /nfs/dbraw/zinc/12/67/68/780126768.db2.gz JERCUIPGGMFINN-NXEZZACHSA-N 1 2 284.360 -1.176 20 0 CAADLO CNC(=O)C1(C(=O)N[C@@H]2C[N@H+](CC(N)=O)C[C@H]2C)CC1 ZINC001209456605 780133996 /nfs/dbraw/zinc/13/39/96/780133996.db2.gz KOQSCCHXEIFZSN-RKDXNWHRSA-N 1 2 282.344 -1.566 20 0 CAADLO CNC(=O)C1(C(=O)N[C@@H]2C[N@@H+](CC(N)=O)C[C@H]2C)CC1 ZINC001209456605 780133999 /nfs/dbraw/zinc/13/39/99/780133999.db2.gz KOQSCCHXEIFZSN-RKDXNWHRSA-N 1 2 282.344 -1.566 20 0 CAADLO C[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1NC(=O)c1cnon1 ZINC001209635881 780135851 /nfs/dbraw/zinc/13/58/51/780135851.db2.gz YVBQCGOMUVVFBT-HTRCEHHLSA-N 1 2 296.287 -1.685 20 0 CAADLO C[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1NC(=O)c1cnon1 ZINC001209635881 780135855 /nfs/dbraw/zinc/13/58/55/780135855.db2.gz YVBQCGOMUVVFBT-HTRCEHHLSA-N 1 2 296.287 -1.685 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(=O)NCC2CC2)C1 ZINC001209823423 780137482 /nfs/dbraw/zinc/13/74/82/780137482.db2.gz LDEYJADRAGFBLY-WCABBAIRSA-N 1 2 296.371 -1.177 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1C[C@@H](C)[C@H](NC(=O)C(=O)NCC2CC2)C1 ZINC001209823423 780137489 /nfs/dbraw/zinc/13/74/89/780137489.db2.gz LDEYJADRAGFBLY-WCABBAIRSA-N 1 2 296.371 -1.177 20 0 CAADLO CNS(=O)(=O)CC(=O)N[C@@H]1C[N@H+](CC(N)=O)C[C@H]1C ZINC001211083580 780141075 /nfs/dbraw/zinc/14/10/75/780141075.db2.gz HBWNLRNTRVJHIQ-HTQZYQBOSA-N 1 2 292.361 -2.543 20 0 CAADLO CNS(=O)(=O)CC(=O)N[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1C ZINC001211083580 780141083 /nfs/dbraw/zinc/14/10/83/780141083.db2.gz HBWNLRNTRVJHIQ-HTQZYQBOSA-N 1 2 292.361 -2.543 20 0 CAADLO CNS(=O)(=O)CC(=O)N[C@@H]1C[N@H+](CCF)C[C@H]1C ZINC001211083924 780141588 /nfs/dbraw/zinc/14/15/88/780141588.db2.gz NXVRCSSSXYOWPI-RKDXNWHRSA-N 1 2 281.353 -1.058 20 0 CAADLO CNS(=O)(=O)CC(=O)N[C@@H]1C[N@@H+](CCF)C[C@H]1C ZINC001211083924 780141592 /nfs/dbraw/zinc/14/15/92/780141592.db2.gz NXVRCSSSXYOWPI-RKDXNWHRSA-N 1 2 281.353 -1.058 20 0 CAADLO C[C@H](NS(C)(=O)=O)C(=O)NCc1c[nH+]cn1C ZINC000291333730 780142428 /nfs/dbraw/zinc/14/24/28/780142428.db2.gz VXXMTDJYUZSYMF-ZETCQYMHSA-N 1 2 260.319 -1.026 20 0 CAADLO CO[C@@H]1C[N@H+](CCO)C[C@H]1NC(=O)CCc1cnn[nH]1 ZINC001213467723 780144226 /nfs/dbraw/zinc/14/42/26/780144226.db2.gz GWSNEFUSUYOPNV-GHMZBOCLSA-N 1 2 283.332 -1.455 20 0 CAADLO CO[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)CCc1cnn[nH]1 ZINC001213467723 780144231 /nfs/dbraw/zinc/14/42/31/780144231.db2.gz GWSNEFUSUYOPNV-GHMZBOCLSA-N 1 2 283.332 -1.455 20 0 CAADLO CO[C@@H]1C[N@H+](CCNC(=O)C2CC2)C[C@H]1NC(=O)C(N)=O ZINC001213352885 780144282 /nfs/dbraw/zinc/14/42/82/780144282.db2.gz HRPAZVBVEBDBCR-NXEZZACHSA-N 1 2 298.343 -2.187 20 0 CAADLO CO[C@@H]1C[N@@H+](CCNC(=O)C2CC2)C[C@H]1NC(=O)C(N)=O ZINC001213352885 780144286 /nfs/dbraw/zinc/14/42/86/780144286.db2.gz HRPAZVBVEBDBCR-NXEZZACHSA-N 1 2 298.343 -2.187 20 0 CAADLO Cn1ncc(C[NH2+][C@H]2CCN(S(C)(=O)=O)C2)n1 ZINC000400164912 780154556 /nfs/dbraw/zinc/15/45/56/780154556.db2.gz IDZCSZAUHWSBRK-QMMMGPOBSA-N 1 2 259.335 -1.061 20 0 CAADLO O=C1CCC(=O)N1CC[N@@H+]1CCN2C(=O)NC[C@H]2C1 ZINC000175940287 780145973 /nfs/dbraw/zinc/14/59/73/780145973.db2.gz UQISGSVCRFZZJM-VIFPVBQESA-N 1 2 266.301 -1.155 20 0 CAADLO O=C1CCC(=O)N1CC[N@H+]1CCN2C(=O)NC[C@H]2C1 ZINC000175940287 780145980 /nfs/dbraw/zinc/14/59/80/780145980.db2.gz UQISGSVCRFZZJM-VIFPVBQESA-N 1 2 266.301 -1.155 20 0 CAADLO CCn1ncnc1C[N@H+]1C[C@@H]2[C@@H](CNC(=O)C(N)=O)[C@@H]2C1 ZINC001276708426 780149772 /nfs/dbraw/zinc/14/97/72/780149772.db2.gz OYEGTKHNIZREDI-OWUUHHOZSA-N 1 2 292.343 -1.423 20 0 CAADLO CCn1ncnc1C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C(N)=O)[C@@H]2C1 ZINC001276708426 780149778 /nfs/dbraw/zinc/14/97/78/780149778.db2.gz OYEGTKHNIZREDI-OWUUHHOZSA-N 1 2 292.343 -1.423 20 0 CAADLO C[C@H](c1nnnn1C)[N@H+]1C[C@@H]2[C@@H](CNC(=O)C(N)=O)[C@@H]2C1 ZINC001276708033 780150132 /nfs/dbraw/zinc/15/01/32/780150132.db2.gz LYDNJFCBQVZUKA-BGZDPUMWSA-N 1 2 293.331 -1.950 20 0 CAADLO C[C@H](c1nnnn1C)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C(N)=O)[C@@H]2C1 ZINC001276708033 780150136 /nfs/dbraw/zinc/15/01/36/780150136.db2.gz LYDNJFCBQVZUKA-BGZDPUMWSA-N 1 2 293.331 -1.950 20 0 CAADLO CC(=O)N[C@@H]1C[N@H+](CCNS(C)(=O)=O)C[C@@H]1O ZINC001219078999 780188291 /nfs/dbraw/zinc/18/82/91/780188291.db2.gz MRFOVGVAWCVCCF-BDAKNGLRSA-N 1 2 265.335 -2.283 20 0 CAADLO CC(=O)N[C@@H]1C[N@@H+](CCNS(C)(=O)=O)C[C@@H]1O ZINC001219078999 780188295 /nfs/dbraw/zinc/18/82/95/780188295.db2.gz MRFOVGVAWCVCCF-BDAKNGLRSA-N 1 2 265.335 -2.283 20 0 CAADLO CCC(=O)N1CCO[C@@H]2C[N@@H+]([C@H](C)C(=O)NC(N)=O)C[C@@H]21 ZINC001217165367 780161216 /nfs/dbraw/zinc/16/12/16/780161216.db2.gz FFFYBQBVDPAAEJ-KXUCPTDWSA-N 1 2 298.343 -1.109 20 0 CAADLO CCC(=O)N1CCO[C@@H]2C[N@H+]([C@H](C)C(=O)NC(N)=O)C[C@@H]21 ZINC001217165367 780161219 /nfs/dbraw/zinc/16/12/19/780161219.db2.gz FFFYBQBVDPAAEJ-KXUCPTDWSA-N 1 2 298.343 -1.109 20 0 CAADLO CNC(=O)CC(=O)N1CCO[C@@H]2C[N@@H+]([C@H](C)C(N)=O)C[C@@H]21 ZINC001217712846 780162233 /nfs/dbraw/zinc/16/22/33/780162233.db2.gz HQICWOSSAVWOTP-KXUCPTDWSA-N 1 2 298.343 -2.092 20 0 CAADLO CNC(=O)CC(=O)N1CCO[C@@H]2C[N@H+]([C@H](C)C(N)=O)C[C@@H]21 ZINC001217712846 780162238 /nfs/dbraw/zinc/16/22/38/780162238.db2.gz HQICWOSSAVWOTP-KXUCPTDWSA-N 1 2 298.343 -2.092 20 0 CAADLO [NH3+]CCCO[C@H](C[NH+]1CCOCC1)CS(=O)(=O)[O-] ZINC001217842261 780163332 /nfs/dbraw/zinc/16/33/32/780163332.db2.gz YRDQUUHOULSICA-SNVBAGLBSA-N 1 2 282.362 -1.060 20 0 CAADLO [NH3+]CCCO[C@@H](C[NH+]1CCOCC1)CS(=O)(=O)[O-] ZINC001217842254 780163342 /nfs/dbraw/zinc/16/33/42/780163342.db2.gz YRDQUUHOULSICA-JTQLQIEISA-N 1 2 282.362 -1.060 20 0 CAADLO C[S@@](=O)CC[C@H]([NH3+])C(=O)N=c1ncnc2[nH][nH]cc1-2 ZINC001218517768 780167296 /nfs/dbraw/zinc/16/72/96/780167296.db2.gz KYCJGJUYIHAELC-ZDVLTJLQSA-N 1 2 282.329 -1.239 20 0 CAADLO CCOC(=O)c1n[nH]cc1NC(=O)[C@@H]([NH3+])Cc1nn[nH]n1 ZINC001218548543 780168688 /nfs/dbraw/zinc/16/86/88/780168688.db2.gz BJFQZNCFAZAGGF-YFKPBYRVSA-N 1 2 294.275 -1.392 20 0 CAADLO NC(=O)NCCC[C@@H]([NH3+])C(=O)N=c1ncnc2[nH][nH]cc1-2 ZINC001218518752 780168882 /nfs/dbraw/zinc/16/88/82/780168882.db2.gz UBMBZBZGKSMHQL-SSDOTTSWSA-N 1 2 292.303 -1.559 20 0 CAADLO Cn1nc2c(c1NC(=O)[C@@H]([NH3+])Cc1nn[nH]n1)CCC2 ZINC001218529075 780169017 /nfs/dbraw/zinc/16/90/17/780169017.db2.gz ZDXQKJZLWYRUNB-ZETCQYMHSA-N 1 2 276.304 -1.070 20 0 CAADLO COc1cc(NC(=O)[C@@H]([NH3+])Cc2nn[nH]n2)ncn1 ZINC001218535826 780169466 /nfs/dbraw/zinc/16/94/66/780169466.db2.gz MIORRNASBMUWFZ-YFKPBYRVSA-N 1 2 264.249 -1.493 20 0 CAADLO [NH3+][C@@H](Cc1nn[nH]n1)C(=O)Nc1ncnc2[nH]ccc21 ZINC001218559739 780169859 /nfs/dbraw/zinc/16/98/59/780169859.db2.gz PETLZCKJLPPPQS-LURJTMIESA-N 1 2 273.260 -1.021 20 0 CAADLO Cc1noc(NC(=O)[C@@H]([NH3+])Cc2nn[nH]n2)c1C(N)=O ZINC001218551654 780169876 /nfs/dbraw/zinc/16/98/76/780169876.db2.gz RPXPVWHMWJQYCQ-BYPYZUCNSA-N 1 2 280.248 -1.896 20 0 CAADLO CC(=O)OC[C@H]([NH3+])C(=O)Nc1cn[nH]c1C(N)=O ZINC001218564615 780170061 /nfs/dbraw/zinc/17/00/61/780170061.db2.gz LAKUMNWGZOVKFS-YFKPBYRVSA-N 1 2 255.234 -1.663 20 0 CAADLO [NH3+][C@@H](Cc1nn[nH]n1)C(=O)Nc1[nH]nc2nccnc21 ZINC001218568708 780171428 /nfs/dbraw/zinc/17/14/28/780171428.db2.gz MNVAQURXAGZDPF-BYPYZUCNSA-N 1 2 274.248 -1.674 20 0 CAADLO [NH3+][C@@H](Cc1nn[nH]n1)C(=O)Nc1noc2nccnc12 ZINC001218573744 780172131 /nfs/dbraw/zinc/17/21/31/780172131.db2.gz KRRKUKRMBDOGDB-BYPYZUCNSA-N 1 2 275.232 -1.361 20 0 CAADLO N=c1c(N)c(Cl)ccn1C(=O)[C@@H]([NH3+])Cc1nn[nH]n1 ZINC001218566829 780172211 /nfs/dbraw/zinc/17/22/11/780172211.db2.gz KZCCOVYDXWHERX-YFKPBYRVSA-N 1 2 282.695 -1.074 20 0 CAADLO CSc1nc(NC(=O)[C@@H]([NH3+])Cc2nn[nH]n2)cc(=O)[nH]1 ZINC001218584100 780173095 /nfs/dbraw/zinc/17/30/95/780173095.db2.gz NHGQZEJMIKFEHZ-BYPYZUCNSA-N 1 2 296.316 -1.074 20 0 CAADLO Cn1ncc2cc(NC(=O)[C@@H]([NH3+])Cc3nn[nH]n3)cnc21 ZINC001218615188 780175339 /nfs/dbraw/zinc/17/53/39/780175339.db2.gz MGNOKYQHSQKKQA-QMMMGPOBSA-N 1 2 287.287 -1.010 20 0 CAADLO CC(=O)Nc1cc(NC(=O)[C@@H]([NH3+])Cc2nn[nH]n2)ncn1 ZINC001218609192 780175608 /nfs/dbraw/zinc/17/56/08/780175608.db2.gz CMDMWUMMCOHSRQ-LURJTMIESA-N 1 2 291.275 -1.543 20 0 CAADLO COC(=O)c1n[nH]c(C)c1NC(=O)[C@@H]([NH3+])Cc1nn[nH]n1 ZINC001218639012 780177835 /nfs/dbraw/zinc/17/78/35/780177835.db2.gz AFDVADRWTLAQQO-YFKPBYRVSA-N 1 2 294.275 -1.474 20 0 CAADLO [NH3+][C@@H](Cc1nn[nH]n1)C(=O)Nc1cn[nH]c(=O)c1 ZINC001218652258 780178989 /nfs/dbraw/zinc/17/89/89/780178989.db2.gz KQZYZPRJAHINBX-YFKPBYRVSA-N 1 2 250.222 -1.796 20 0 CAADLO Nc1cc[nH]c(=O)c1NC(=O)[C@@H]([NH3+])Cc1nn[nH]n1 ZINC001218679181 780180068 /nfs/dbraw/zinc/18/00/68/780180068.db2.gz PFAODWYHUPIKFE-YFKPBYRVSA-N 1 2 264.249 -1.609 20 0 CAADLO Nc1cnc(Cl)c(NC(=O)[C@@H]([NH3+])Cc2nn[nH]n2)n1 ZINC001218673843 780180478 /nfs/dbraw/zinc/18/04/78/780180478.db2.gz HDOUVHODAHJXND-VKHMYHEASA-N 1 2 283.683 -1.266 20 0 CAADLO CCOc1cc(N)n(C(=O)C[C@H]([NH3+])C(=O)OC)c(=N)n1 ZINC001218680810 780181561 /nfs/dbraw/zinc/18/15/61/780181561.db2.gz LFRBBDNAMROJFI-LURJTMIESA-N 1 2 283.288 -1.126 20 0 CAADLO Cc1ncn(C)c1NC(=O)[C@@H]([NH3+])Cc1nn[nH]n1 ZINC001218697605 780181746 /nfs/dbraw/zinc/18/17/46/780181746.db2.gz HJACDGGTWZZZHT-LURJTMIESA-N 1 2 250.266 -1.250 20 0 CAADLO CCOc1cc(N)n(C(=O)[C@@H]2COCC[NH2+]2)c(=N)n1 ZINC001218680793 780181824 /nfs/dbraw/zinc/18/18/24/780181824.db2.gz KRKAGZILQLRKOH-ZETCQYMHSA-N 1 2 267.289 -1.028 20 0 CAADLO COCn1cc(NC(=O)[C@@H]([NH3+])Cc2nn[nH]n2)cn1 ZINC001218701559 780181850 /nfs/dbraw/zinc/18/18/50/780181850.db2.gz VWYMXVHPBIUVOW-ZETCQYMHSA-N 1 2 266.265 -1.491 20 0 CAADLO O=C(NC1C(=O)N=CN=C1[O-])[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001218702572 780182450 /nfs/dbraw/zinc/18/24/50/780182450.db2.gz UHHUMKQSYJYLMF-LYFYHCNISA-N 1 2 265.273 -1.224 20 0 CAADLO CN=c1c(N)cc(Cl)nn1C(=O)[C@@H]([NH3+])Cc1nn[nH]n1 ZINC001218743397 780182853 /nfs/dbraw/zinc/18/28/53/780182853.db2.gz TYYZWWVDWZEWHD-YFKPBYRVSA-N 1 2 297.710 -1.628 20 0 CAADLO CCN=c1ncc(N)cn1C(=O)[C@@H]([NH3+])COC(C)=O ZINC001218739814 780183193 /nfs/dbraw/zinc/18/31/93/780183193.db2.gz JNUBYNRYNPXCSN-VIFPVBQESA-N 1 2 267.289 -1.084 20 0 CAADLO [NH3+][C@@H](Cc1nn[nH]n1)C(=O)Nc1ncccc1CCO ZINC001218790374 780184399 /nfs/dbraw/zinc/18/43/99/780184399.db2.gz HFOCTIAEXIMLEJ-QMMMGPOBSA-N 1 2 277.288 -1.362 20 0 CAADLO NS(=O)(=O)c1cncc(NC(=O)[C@@H]2COCC[NH2+]2)c1 ZINC001218751312 780184700 /nfs/dbraw/zinc/18/47/00/780184700.db2.gz WLCKUBHLXGEFPD-VIFPVBQESA-N 1 2 286.313 -1.344 20 0 CAADLO CCOC(=O)c1nc(NC(=O)[C@@H]([NH3+])Cc2nn[nH]n2)c[nH]1 ZINC001218764955 780184743 /nfs/dbraw/zinc/18/47/43/780184743.db2.gz SMVGLLKBCBSPBN-YFKPBYRVSA-N 1 2 294.275 -1.392 20 0 CAADLO CNC(=O)c1cccnc1NC(=O)[C@@H]([NH3+])Cc1nn[nH]n1 ZINC001218764190 780184908 /nfs/dbraw/zinc/18/49/08/780184908.db2.gz MSQQZZDNWSOVHG-ZETCQYMHSA-N 1 2 290.287 -1.537 20 0 CAADLO C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)Nc1ccc2[nH]nnc2c1 ZINC001218876626 780185703 /nfs/dbraw/zinc/18/57/03/780185703.db2.gz KJLMMSYDCTUFBP-XPUUQOCRSA-N 1 2 292.299 -1.279 20 0 CAADLO NC(=O)Cc1cccc(NC(=O)[C@@H]([NH3+])Cc2nn[nH]n2)c1 ZINC001218954385 780185901 /nfs/dbraw/zinc/18/59/01/780185901.db2.gz KSPHQCCTVMVJPR-VIFPVBQESA-N 1 2 289.299 -1.264 20 0 CAADLO COCC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@@H]1O ZINC001219077291 780186171 /nfs/dbraw/zinc/18/61/71/780186171.db2.gz QHFRNBOGOKPCFX-ZJUUUORDSA-N 1 2 271.317 -1.974 20 0 CAADLO COCC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@@H]1O ZINC001219077291 780186179 /nfs/dbraw/zinc/18/61/79/780186179.db2.gz QHFRNBOGOKPCFX-ZJUUUORDSA-N 1 2 271.317 -1.974 20 0 CAADLO CCC(=O)N[C@@H]1C[N@H+](CCNS(C)(=O)=O)C[C@@H]1O ZINC001219077276 780186451 /nfs/dbraw/zinc/18/64/51/780186451.db2.gz POIAMLNUOQDHGJ-BDAKNGLRSA-N 1 2 279.362 -1.893 20 0 CAADLO CCC(=O)N[C@@H]1C[N@@H+](CCNS(C)(=O)=O)C[C@@H]1O ZINC001219077276 780186453 /nfs/dbraw/zinc/18/64/53/780186453.db2.gz POIAMLNUOQDHGJ-BDAKNGLRSA-N 1 2 279.362 -1.893 20 0 CAADLO CCCS(=O)(=O)CC[N@@H+]1CC[C@](O)(C(N)=O)C1 ZINC000310300500 780186678 /nfs/dbraw/zinc/18/66/78/780186678.db2.gz QEXICVSKBRHQPB-SNVBAGLBSA-N 1 2 264.347 -1.267 20 0 CAADLO CCCS(=O)(=O)CC[N@H+]1CC[C@](O)(C(N)=O)C1 ZINC000310300500 780186684 /nfs/dbraw/zinc/18/66/84/780186684.db2.gz QEXICVSKBRHQPB-SNVBAGLBSA-N 1 2 264.347 -1.267 20 0 CAADLO COCCC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCCC2)C[C@@H]1O ZINC001219080450 780187334 /nfs/dbraw/zinc/18/73/34/780187334.db2.gz KEVYEHMDONFHPL-NEPJUHHUSA-N 1 2 299.371 -1.193 20 0 CAADLO COCCC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCCC2)C[C@@H]1O ZINC001219080450 780187341 /nfs/dbraw/zinc/18/73/41/780187341.db2.gz KEVYEHMDONFHPL-NEPJUHHUSA-N 1 2 299.371 -1.193 20 0 CAADLO CCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC(=O)NC)C[C@@H]1O ZINC001219082396 780187703 /nfs/dbraw/zinc/18/77/03/780187703.db2.gz STRAWPZROMJWHA-YIZRAAEISA-N 1 2 286.332 -1.598 20 0 CAADLO CCC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)NC(=O)NC)C[C@@H]1O ZINC001219082396 780187707 /nfs/dbraw/zinc/18/77/07/780187707.db2.gz STRAWPZROMJWHA-YIZRAAEISA-N 1 2 286.332 -1.598 20 0 CAADLO COCCCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(C)=O)[C@@H](O)C1 ZINC001219079180 780187939 /nfs/dbraw/zinc/18/79/39/780187939.db2.gz RBLGPLPPKVIDAZ-WCQGTBRESA-N 1 2 287.360 -1.291 20 0 CAADLO COCCCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(C)=O)[C@@H](O)C1 ZINC001219079180 780187943 /nfs/dbraw/zinc/18/79/43/780187943.db2.gz RBLGPLPPKVIDAZ-WCQGTBRESA-N 1 2 287.360 -1.291 20 0 CAADLO CCNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@@H](NC(C)=O)[C@@H](O)C1 ZINC001219081779 780188077 /nfs/dbraw/zinc/18/80/77/780188077.db2.gz DVGDKCUSRRINCA-SFGNSQDASA-N 1 2 286.332 -1.598 20 0 CAADLO CCNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(C)=O)[C@@H](O)C1 ZINC001219081779 780188083 /nfs/dbraw/zinc/18/80/83/780188083.db2.gz DVGDKCUSRRINCA-SFGNSQDASA-N 1 2 286.332 -1.598 20 0 CAADLO COCCC(=O)N[C@@H]1C[N@H+](CC(=O)N(C)C2CC2)C[C@@H]1O ZINC001219080606 780188257 /nfs/dbraw/zinc/18/82/57/780188257.db2.gz MHSUGXMLKCLVRG-NEPJUHHUSA-N 1 2 299.371 -1.195 20 0 CAADLO COCCC(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)C2CC2)C[C@@H]1O ZINC001219080606 780188260 /nfs/dbraw/zinc/18/82/60/780188260.db2.gz MHSUGXMLKCLVRG-NEPJUHHUSA-N 1 2 299.371 -1.195 20 0 CAADLO COCCC(=O)N[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@@H]1O ZINC001219083659 780188998 /nfs/dbraw/zinc/18/89/98/780188998.db2.gz GKBPIIQESPFYPS-ZJUUUORDSA-N 1 2 273.333 -1.728 20 0 CAADLO COCCC(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@@H]1O ZINC001219083659 780189005 /nfs/dbraw/zinc/18/90/05/780189005.db2.gz GKBPIIQESPFYPS-ZJUUUORDSA-N 1 2 273.333 -1.728 20 0 CAADLO CCNC(=O)C[N@H+]1C[C@@H](NC(=O)CCOC)[C@@H](O)C1 ZINC001219083982 780189048 /nfs/dbraw/zinc/18/90/48/780189048.db2.gz RHIXUFBBHGBVFH-ZJUUUORDSA-N 1 2 273.333 -1.680 20 0 CAADLO CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)CCOC)[C@@H](O)C1 ZINC001219083982 780189055 /nfs/dbraw/zinc/18/90/55/780189055.db2.gz RHIXUFBBHGBVFH-ZJUUUORDSA-N 1 2 273.333 -1.680 20 0 CAADLO CC[C@@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)COC)[C@@H](O)C1 ZINC001219084073 780189161 /nfs/dbraw/zinc/18/91/61/780189161.db2.gz SWNRXNPLVGUEAJ-VGMNWLOBSA-N 1 2 259.306 -1.942 20 0 CAADLO CC[C@@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)COC)[C@@H](O)C1 ZINC001219084073 780189164 /nfs/dbraw/zinc/18/91/64/780189164.db2.gz SWNRXNPLVGUEAJ-VGMNWLOBSA-N 1 2 259.306 -1.942 20 0 CAADLO COCC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCN(C)C2=O)C[C@@H]1O ZINC001219083643 780189475 /nfs/dbraw/zinc/18/94/75/780189475.db2.gz FRTIUZGIVNUNEG-BBBLOLIVSA-N 1 2 271.317 -1.975 20 0 CAADLO COCC(=O)N[C@@H]1C[N@H+]([C@@H]2CCN(C)C2=O)C[C@@H]1O ZINC001219083643 780189479 /nfs/dbraw/zinc/18/94/79/780189479.db2.gz FRTIUZGIVNUNEG-BBBLOLIVSA-N 1 2 271.317 -1.975 20 0 CAADLO CCCC[C@@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)COC)[C@@H](O)C1 ZINC001219083655 780189783 /nfs/dbraw/zinc/18/97/83/780189783.db2.gz GFWMYIQJVSHDMG-VWYCJHECSA-N 1 2 287.360 -1.162 20 0 CAADLO COCCC(=O)N[C@@H]1C[N@H+](CC(=O)NC(C)C)C[C@@H]1O ZINC001219083695 780189522 /nfs/dbraw/zinc/18/95/22/780189522.db2.gz HTEGSUPTXXGFQV-MNOVXSKESA-N 1 2 287.360 -1.291 20 0 CAADLO COCCC(=O)N[C@@H]1C[N@@H+](CC(=O)NC(C)C)C[C@@H]1O ZINC001219083695 780189528 /nfs/dbraw/zinc/18/95/28/780189528.db2.gz HTEGSUPTXXGFQV-MNOVXSKESA-N 1 2 287.360 -1.291 20 0 CAADLO C[C@H](C(=O)NC(N)=O)[N@H+]1C[C@@H](NC(=O)C2CCC2)[C@@H](O)C1 ZINC001219089599 780189696 /nfs/dbraw/zinc/18/96/96/780189696.db2.gz LVBDHJVTIQZLFO-QNSHHTMESA-N 1 2 298.343 -1.469 20 0 CAADLO C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H](NC(=O)C2CCC2)[C@@H](O)C1 ZINC001219089599 780189701 /nfs/dbraw/zinc/18/97/01/780189701.db2.gz LVBDHJVTIQZLFO-QNSHHTMESA-N 1 2 298.343 -1.469 20 0 CAADLO CCCC[C@@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)COC)[C@@H](O)C1 ZINC001219083655 780189789 /nfs/dbraw/zinc/18/97/89/780189789.db2.gz GFWMYIQJVSHDMG-VWYCJHECSA-N 1 2 287.360 -1.162 20 0 CAADLO C[C@@H](C(=O)NC(N)=O)[N@H+]1C[C@@H](NC(=O)C2CCC2)[C@@H](O)C1 ZINC001219089600 780190082 /nfs/dbraw/zinc/19/00/82/780190082.db2.gz LVBDHJVTIQZLFO-SFGNSQDASA-N 1 2 298.343 -1.469 20 0 CAADLO C[C@@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H](NC(=O)C2CCC2)[C@@H](O)C1 ZINC001219089600 780190086 /nfs/dbraw/zinc/19/00/86/780190086.db2.gz LVBDHJVTIQZLFO-SFGNSQDASA-N 1 2 298.343 -1.469 20 0 CAADLO CCN1CC[C@@H]([N@H+]2C[C@@H](NC(=O)COC)[C@@H](O)C2)C1=O ZINC001219093272 780190596 /nfs/dbraw/zinc/19/05/96/780190596.db2.gz PJXPNLBCZMBXKM-MXWKQRLJSA-N 1 2 285.344 -1.585 20 0 CAADLO CCN1CC[C@@H]([N@@H+]2C[C@@H](NC(=O)COC)[C@@H](O)C2)C1=O ZINC001219093272 780190602 /nfs/dbraw/zinc/19/06/02/780190602.db2.gz PJXPNLBCZMBXKM-MXWKQRLJSA-N 1 2 285.344 -1.585 20 0 CAADLO CCN1CC[C@H]([N@H+]2C[C@@H](NC(=O)COC)[C@@H](O)C2)C1=O ZINC001219093273 780190881 /nfs/dbraw/zinc/19/08/81/780190881.db2.gz PJXPNLBCZMBXKM-VWYCJHECSA-N 1 2 285.344 -1.585 20 0 CAADLO CCN1CC[C@H]([N@@H+]2C[C@@H](NC(=O)COC)[C@@H](O)C2)C1=O ZINC001219093273 780190885 /nfs/dbraw/zinc/19/08/85/780190885.db2.gz PJXPNLBCZMBXKM-VWYCJHECSA-N 1 2 285.344 -1.585 20 0 CAADLO COCC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCC(=O)NC2=O)C[C@@H]1O ZINC001219091470 780190930 /nfs/dbraw/zinc/19/09/30/780190930.db2.gz NTNFYJFVLMSIQL-HLTSFMKQSA-N 1 2 285.300 -2.401 20 0 CAADLO COCC(=O)N[C@@H]1C[N@H+]([C@@H]2CCC(=O)NC2=O)C[C@@H]1O ZINC001219091470 780190933 /nfs/dbraw/zinc/19/09/33/780190933.db2.gz NTNFYJFVLMSIQL-HLTSFMKQSA-N 1 2 285.300 -2.401 20 0 CAADLO CCN1CC[C@H]([N@H+]2C[C@@H](NC(=O)CCOC)[C@@H](O)C2)C1=O ZINC001219095016 780191113 /nfs/dbraw/zinc/19/11/13/780191113.db2.gz FIHZZGTXLDHEER-WOPDTQHZSA-N 1 2 299.371 -1.195 20 0 CAADLO CCN1CC[C@H]([N@@H+]2C[C@@H](NC(=O)CCOC)[C@@H](O)C2)C1=O ZINC001219095016 780191116 /nfs/dbraw/zinc/19/11/16/780191116.db2.gz FIHZZGTXLDHEER-WOPDTQHZSA-N 1 2 299.371 -1.195 20 0 CAADLO COCCC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)N(C)C)C[C@@H]1O ZINC001219095845 780191242 /nfs/dbraw/zinc/19/12/42/780191242.db2.gz YYCRPPCXPRGOQC-MXWKQRLJSA-N 1 2 287.360 -1.339 20 0 CAADLO COCCC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)N(C)C)C[C@@H]1O ZINC001219095845 780191246 /nfs/dbraw/zinc/19/12/46/780191246.db2.gz YYCRPPCXPRGOQC-MXWKQRLJSA-N 1 2 287.360 -1.339 20 0 CAADLO CCCC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@@H]1O ZINC001219103045 780192188 /nfs/dbraw/zinc/19/21/88/780192188.db2.gz MZUJNCXUSFZQLI-BBBLOLIVSA-N 1 2 255.318 -1.164 20 0 CAADLO CCCC(=O)N[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@@H]1O ZINC001219103045 780192194 /nfs/dbraw/zinc/19/21/94/780192194.db2.gz MZUJNCXUSFZQLI-BBBLOLIVSA-N 1 2 255.318 -1.164 20 0 CAADLO CC(=O)NCC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCCNC2=O)C[C@@H]1O ZINC001219104798 780192203 /nfs/dbraw/zinc/19/22/03/780192203.db2.gz DEXMTMRSSKZYNO-MXWKQRLJSA-N 1 2 298.343 -2.438 20 0 CAADLO CC(=O)NCC(=O)N[C@@H]1C[N@H+]([C@@H]2CCCNC2=O)C[C@@H]1O ZINC001219104798 780192205 /nfs/dbraw/zinc/19/22/05/780192205.db2.gz DEXMTMRSSKZYNO-MXWKQRLJSA-N 1 2 298.343 -2.438 20 0 CAADLO CC(=O)NCC(=O)N[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@@H]1O ZINC001219104774 780192542 /nfs/dbraw/zinc/19/25/42/780192542.db2.gz CIIWNBOXGVIDOZ-ZJUUUORDSA-N 1 2 286.332 -2.628 20 0 CAADLO CC(=O)NCC(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@@H]1O ZINC001219104774 780192547 /nfs/dbraw/zinc/19/25/47/780192547.db2.gz CIIWNBOXGVIDOZ-ZJUUUORDSA-N 1 2 286.332 -2.628 20 0 CAADLO CC(=O)NCC(=O)N[C@@H]1C[N@@H+]([C@H]2CCCNC2=O)C[C@@H]1O ZINC001219104799 780192627 /nfs/dbraw/zinc/19/26/27/780192627.db2.gz DEXMTMRSSKZYNO-VWYCJHECSA-N 1 2 298.343 -2.438 20 0 CAADLO CC(=O)NCC(=O)N[C@@H]1C[N@H+]([C@H]2CCCNC2=O)C[C@@H]1O ZINC001219104799 780192630 /nfs/dbraw/zinc/19/26/30/780192630.db2.gz DEXMTMRSSKZYNO-VWYCJHECSA-N 1 2 298.343 -2.438 20 0 CAADLO CC(=O)NCC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@@H]1O ZINC001219104879 780192781 /nfs/dbraw/zinc/19/27/81/780192781.db2.gz IBVPVIRRUXLJOD-MNOVXSKESA-N 1 2 298.343 -2.484 20 0 CAADLO CC(=O)NCC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@@H]1O ZINC001219104879 780192784 /nfs/dbraw/zinc/19/27/84/780192784.db2.gz IBVPVIRRUXLJOD-MNOVXSKESA-N 1 2 298.343 -2.484 20 0 CAADLO COCCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(N)=O)C[C@@H]1O ZINC001219097604 780192855 /nfs/dbraw/zinc/19/28/55/780192855.db2.gz VUYCQMASCGJFMW-YIZRAAEISA-N 1 2 259.306 -1.942 20 0 CAADLO COCCC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(N)=O)C[C@@H]1O ZINC001219097604 780192859 /nfs/dbraw/zinc/19/28/59/780192859.db2.gz VUYCQMASCGJFMW-YIZRAAEISA-N 1 2 259.306 -1.942 20 0 CAADLO CCCC(=O)N[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@@H]1O ZINC001219103046 780192931 /nfs/dbraw/zinc/19/29/31/780192931.db2.gz MZUJNCXUSFZQLI-UTLUCORTSA-N 1 2 255.318 -1.164 20 0 CAADLO CCCC(=O)N[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@@H]1O ZINC001219103046 780192935 /nfs/dbraw/zinc/19/29/35/780192935.db2.gz MZUJNCXUSFZQLI-UTLUCORTSA-N 1 2 255.318 -1.164 20 0 CAADLO CCOCC(=O)N[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@@H]1O ZINC001219135478 780193352 /nfs/dbraw/zinc/19/33/52/780193352.db2.gz ACQAYSBJCVUFCH-ZJUUUORDSA-N 1 2 273.333 -1.728 20 0 CAADLO CCOCC(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@@H]1O ZINC001219135478 780193357 /nfs/dbraw/zinc/19/33/57/780193357.db2.gz ACQAYSBJCVUFCH-ZJUUUORDSA-N 1 2 273.333 -1.728 20 0 CAADLO CC(C)CC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCC(=O)NC2=O)C[C@@H]1O ZINC001219121173 780193544 /nfs/dbraw/zinc/19/35/44/780193544.db2.gz RMWFZRJGUUFYLN-MXWKQRLJSA-N 1 2 297.355 -1.001 20 0 CAADLO CC(C)CC(=O)N[C@@H]1C[N@H+]([C@@H]2CCC(=O)NC2=O)C[C@@H]1O ZINC001219121173 780193546 /nfs/dbraw/zinc/19/35/46/780193546.db2.gz RMWFZRJGUUFYLN-MXWKQRLJSA-N 1 2 297.355 -1.001 20 0 CAADLO CC(C)CC(=O)N[C@@H]1C[N@@H+]([C@H]2CCC(=O)NC2=O)C[C@@H]1O ZINC001219121174 780194273 /nfs/dbraw/zinc/19/42/73/780194273.db2.gz RMWFZRJGUUFYLN-VWYCJHECSA-N 1 2 297.355 -1.001 20 0 CAADLO CC(C)CC(=O)N[C@@H]1C[N@H+]([C@H]2CCC(=O)NC2=O)C[C@@H]1O ZINC001219121174 780194277 /nfs/dbraw/zinc/19/42/77/780194277.db2.gz RMWFZRJGUUFYLN-VWYCJHECSA-N 1 2 297.355 -1.001 20 0 CAADLO CC(=O)NCC(=O)N[C@@H]1C[N@H+](Cc2ocnc2C)C[C@@H]1O ZINC001219111961 780194341 /nfs/dbraw/zinc/19/43/41/780194341.db2.gz MUTYLFJIHLQOPJ-MNOVXSKESA-N 1 2 296.327 -1.220 20 0 CAADLO CC(=O)NCC(=O)N[C@@H]1C[N@@H+](Cc2ocnc2C)C[C@@H]1O ZINC001219111961 780194342 /nfs/dbraw/zinc/19/43/42/780194342.db2.gz MUTYLFJIHLQOPJ-MNOVXSKESA-N 1 2 296.327 -1.220 20 0 CAADLO CCOCC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@@H]1O ZINC001219134439 780194372 /nfs/dbraw/zinc/19/43/72/780194372.db2.gz ISWQHAVXIIAYNZ-MNOVXSKESA-N 1 2 285.344 -1.584 20 0 CAADLO CCOCC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@@H]1O ZINC001219134439 780194376 /nfs/dbraw/zinc/19/43/76/780194376.db2.gz ISWQHAVXIIAYNZ-MNOVXSKESA-N 1 2 285.344 -1.584 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)CNC(C)=O)[C@@H](O)C1 ZINC001219112129 780194480 /nfs/dbraw/zinc/19/44/80/780194480.db2.gz VCKPSJJWNMKMMJ-QNSHHTMESA-N 1 2 286.332 -2.582 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CNC(C)=O)[C@@H](O)C1 ZINC001219112129 780194485 /nfs/dbraw/zinc/19/44/85/780194485.db2.gz VCKPSJJWNMKMMJ-QNSHHTMESA-N 1 2 286.332 -2.582 20 0 CAADLO CCOCC(=O)N[C@@H]1C[N@@H+]([C@H](CC)C(N)=O)C[C@@H]1O ZINC001219145646 780194960 /nfs/dbraw/zinc/19/49/60/780194960.db2.gz ZTZBZKYBXACBKN-BBBLOLIVSA-N 1 2 273.333 -1.552 20 0 CAADLO CCOCC(=O)N[C@@H]1C[N@H+]([C@H](CC)C(N)=O)C[C@@H]1O ZINC001219145646 780194962 /nfs/dbraw/zinc/19/49/62/780194962.db2.gz ZTZBZKYBXACBKN-BBBLOLIVSA-N 1 2 273.333 -1.552 20 0 CAADLO CC(C)=CC(=O)N[C@@H]1C[N@@H+]([C@H]2CCC(=O)NC2=O)C[C@@H]1O ZINC001219143634 780195315 /nfs/dbraw/zinc/19/53/15/780195315.db2.gz SIMJSDQWKSCTBW-VWYCJHECSA-N 1 2 295.339 -1.081 20 0 CAADLO CC(C)=CC(=O)N[C@@H]1C[N@H+]([C@H]2CCC(=O)NC2=O)C[C@@H]1O ZINC001219143634 780195320 /nfs/dbraw/zinc/19/53/20/780195320.db2.gz SIMJSDQWKSCTBW-VWYCJHECSA-N 1 2 295.339 -1.081 20 0 CAADLO CCOCC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCN(C)C2=O)C[C@@H]1O ZINC001219144977 780195357 /nfs/dbraw/zinc/19/53/57/780195357.db2.gz BQMXKRJPZGKIPC-MXWKQRLJSA-N 1 2 285.344 -1.585 20 0 CAADLO CCOCC(=O)N[C@@H]1C[N@H+]([C@@H]2CCN(C)C2=O)C[C@@H]1O ZINC001219144977 780195360 /nfs/dbraw/zinc/19/53/60/780195360.db2.gz BQMXKRJPZGKIPC-MXWKQRLJSA-N 1 2 285.344 -1.585 20 0 CAADLO CCOCC(=O)N[C@@H]1C[N@@H+]([C@H]2CCN(CC)C2=O)C[C@@H]1O ZINC001219145533 780195607 /nfs/dbraw/zinc/19/56/07/780195607.db2.gz UACSSAIVARGCGY-WOPDTQHZSA-N 1 2 299.371 -1.195 20 0 CAADLO CCOCC(=O)N[C@@H]1C[N@H+]([C@H]2CCN(CC)C2=O)C[C@@H]1O ZINC001219145533 780195611 /nfs/dbraw/zinc/19/56/11/780195611.db2.gz UACSSAIVARGCGY-WOPDTQHZSA-N 1 2 299.371 -1.195 20 0 CAADLO CCOCC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCC(=O)NC2=O)C[C@@H]1O ZINC001219143615 780195714 /nfs/dbraw/zinc/19/57/14/780195714.db2.gz RNOBSXHVSXRGMB-BBBLOLIVSA-N 1 2 299.327 -2.011 20 0 CAADLO CCOCC(=O)N[C@@H]1C[N@H+]([C@@H]2CCC(=O)NC2=O)C[C@@H]1O ZINC001219143615 780195719 /nfs/dbraw/zinc/19/57/19/780195719.db2.gz RNOBSXHVSXRGMB-BBBLOLIVSA-N 1 2 299.327 -2.011 20 0 CAADLO CC(C)=CC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)NC(N)=O)C[C@@H]1O ZINC001219148360 780195830 /nfs/dbraw/zinc/19/58/30/780195830.db2.gz BNQCKACHRSEWTI-BBBLOLIVSA-N 1 2 298.343 -1.303 20 0 CAADLO CC(C)=CC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)NC(N)=O)C[C@@H]1O ZINC001219148360 780195838 /nfs/dbraw/zinc/19/58/38/780195838.db2.gz BNQCKACHRSEWTI-BBBLOLIVSA-N 1 2 298.343 -1.303 20 0 CAADLO CCOCC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCCNC2=O)C[C@@H]1O ZINC001219143081 780195872 /nfs/dbraw/zinc/19/58/72/780195872.db2.gz AZLMDIRTYDPWQF-MXWKQRLJSA-N 1 2 285.344 -1.537 20 0 CAADLO CCOCC(=O)N[C@@H]1C[N@H+]([C@@H]2CCCNC2=O)C[C@@H]1O ZINC001219143081 780195877 /nfs/dbraw/zinc/19/58/77/780195877.db2.gz AZLMDIRTYDPWQF-MXWKQRLJSA-N 1 2 285.344 -1.537 20 0 CAADLO CCOCC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@@H]1O ZINC001219136097 780196037 /nfs/dbraw/zinc/19/60/37/780196037.db2.gz PBWMVEILVACCNC-BBBLOLIVSA-N 1 2 271.317 -1.927 20 0 CAADLO CCOCC(=O)N[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@@H]1O ZINC001219136097 780196041 /nfs/dbraw/zinc/19/60/41/780196041.db2.gz PBWMVEILVACCNC-BBBLOLIVSA-N 1 2 271.317 -1.927 20 0 CAADLO CSCC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCCNC2=O)C[C@@H]1O ZINC001219156782 780196337 /nfs/dbraw/zinc/19/63/37/780196337.db2.gz JEEFFGSHYMQPEZ-BBBLOLIVSA-N 1 2 287.385 -1.211 20 0 CAADLO CSCC(=O)N[C@@H]1C[N@H+]([C@@H]2CCCNC2=O)C[C@@H]1O ZINC001219156782 780196340 /nfs/dbraw/zinc/19/63/40/780196340.db2.gz JEEFFGSHYMQPEZ-BBBLOLIVSA-N 1 2 287.385 -1.211 20 0 CAADLO CSCC(=O)N[C@@H]1C[N@@H+]([C@H]2CCCNC2=O)C[C@@H]1O ZINC001219156784 780197021 /nfs/dbraw/zinc/19/70/21/780197021.db2.gz JEEFFGSHYMQPEZ-UTLUCORTSA-N 1 2 287.385 -1.211 20 0 CAADLO CSCC(=O)N[C@@H]1C[N@H+]([C@H]2CCCNC2=O)C[C@@H]1O ZINC001219156784 780197025 /nfs/dbraw/zinc/19/70/25/780197025.db2.gz JEEFFGSHYMQPEZ-UTLUCORTSA-N 1 2 287.385 -1.211 20 0 CAADLO CSCCC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@@H]1O ZINC001219160975 780197174 /nfs/dbraw/zinc/19/71/74/780197174.db2.gz LPOUEDSLXJLZNU-BBBLOLIVSA-N 1 2 287.385 -1.211 20 0 CAADLO CSCCC(=O)N[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@@H]1O ZINC001219160975 780197179 /nfs/dbraw/zinc/19/71/79/780197179.db2.gz LPOUEDSLXJLZNU-BBBLOLIVSA-N 1 2 287.385 -1.211 20 0 CAADLO Cc1ncc(C[N@H+]2C[C@@H](NC(=O)CNC(N)=O)[C@@H](O)C2)o1 ZINC001219169062 780197966 /nfs/dbraw/zinc/19/79/66/780197966.db2.gz UQEQDDCLIOAHTB-ZJUUUORDSA-N 1 2 297.315 -1.687 20 0 CAADLO Cc1ncc(C[N@@H+]2C[C@@H](NC(=O)CNC(N)=O)[C@@H](O)C2)o1 ZINC001219169062 780197970 /nfs/dbraw/zinc/19/79/70/780197970.db2.gz UQEQDDCLIOAHTB-ZJUUUORDSA-N 1 2 297.315 -1.687 20 0 CAADLO NC(=O)NCC(=O)N[C@@H]1C[N@H+](Cc2ccccn2)C[C@@H]1O ZINC001219167302 780198715 /nfs/dbraw/zinc/19/87/15/780198715.db2.gz QAIUAPLHAUKSFA-MNOVXSKESA-N 1 2 293.327 -1.589 20 0 CAADLO NC(=O)NCC(=O)N[C@@H]1C[N@@H+](Cc2ccccn2)C[C@@H]1O ZINC001219167302 780198718 /nfs/dbraw/zinc/19/87/18/780198718.db2.gz QAIUAPLHAUKSFA-MNOVXSKESA-N 1 2 293.327 -1.589 20 0 CAADLO Cn1cc(C[N@H+]2C[C@@H](NC(=O)CNC(N)=O)[C@@H](O)C2)cn1 ZINC001219166967 780198819 /nfs/dbraw/zinc/19/88/19/780198819.db2.gz AWYPDTDBZVBJFD-ZJUUUORDSA-N 1 2 296.331 -2.250 20 0 CAADLO Cn1cc(C[N@@H+]2C[C@@H](NC(=O)CNC(N)=O)[C@@H](O)C2)cn1 ZINC001219166967 780198822 /nfs/dbraw/zinc/19/88/22/780198822.db2.gz AWYPDTDBZVBJFD-ZJUUUORDSA-N 1 2 296.331 -2.250 20 0 CAADLO NC(=O)NCC(=O)N[C@@H]1C[N@H+](Cc2cccnc2)C[C@@H]1O ZINC001219167028 780198842 /nfs/dbraw/zinc/19/88/42/780198842.db2.gz DXWJJMLTUDBAKD-MNOVXSKESA-N 1 2 293.327 -1.589 20 0 CAADLO NC(=O)NCC(=O)N[C@@H]1C[N@@H+](Cc2cccnc2)C[C@@H]1O ZINC001219167028 780198845 /nfs/dbraw/zinc/19/88/45/780198845.db2.gz DXWJJMLTUDBAKD-MNOVXSKESA-N 1 2 293.327 -1.589 20 0 CAADLO NC(=O)NCC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCCNC2=O)C[C@@H]1O ZINC001219168806 780198888 /nfs/dbraw/zinc/19/88/88/780198888.db2.gz NARACPOSSCUXAS-HLTSFMKQSA-N 1 2 299.331 -2.905 20 0 CAADLO NC(=O)NCC(=O)N[C@@H]1C[N@H+]([C@@H]2CCCNC2=O)C[C@@H]1O ZINC001219168806 780198891 /nfs/dbraw/zinc/19/88/91/780198891.db2.gz NARACPOSSCUXAS-HLTSFMKQSA-N 1 2 299.331 -2.905 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)CNC(N)=O)[C@@H](O)C1 ZINC001219169052 780198921 /nfs/dbraw/zinc/19/89/21/780198921.db2.gz UGEQMLHCZLPRRO-PRJMDXOYSA-N 1 2 287.320 -3.050 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CNC(N)=O)[C@@H](O)C1 ZINC001219169052 780198924 /nfs/dbraw/zinc/19/89/24/780198924.db2.gz UGEQMLHCZLPRRO-PRJMDXOYSA-N 1 2 287.320 -3.050 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)CCn2cccn2)[C@@H](O)C1 ZINC001219208057 780199957 /nfs/dbraw/zinc/19/99/57/780199957.db2.gz LKBPUZVCAFUHNF-MXWKQRLJSA-N 1 2 295.343 -1.692 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)CCn2cccn2)[C@@H](O)C1 ZINC001219208057 780199959 /nfs/dbraw/zinc/19/99/59/780199959.db2.gz LKBPUZVCAFUHNF-MXWKQRLJSA-N 1 2 295.343 -1.692 20 0 CAADLO CC(C)C(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)NC(N)=O)C[C@@H]1O ZINC001219199253 780200573 /nfs/dbraw/zinc/20/05/73/780200573.db2.gz BMYPVWLVZOGROP-HLTSFMKQSA-N 1 2 286.332 -1.613 20 0 CAADLO CC(C)C(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)NC(N)=O)C[C@@H]1O ZINC001219199253 780200575 /nfs/dbraw/zinc/20/05/75/780200575.db2.gz BMYPVWLVZOGROP-HLTSFMKQSA-N 1 2 286.332 -1.613 20 0 CAADLO CC(C)OCCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(N)=O)C[C@@H]1O ZINC001219225031 780201480 /nfs/dbraw/zinc/20/14/80/780201480.db2.gz QVAFCYKESSOSRM-AXFHLTTASA-N 1 2 287.360 -1.163 20 0 CAADLO CC(C)OCCC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(N)=O)C[C@@H]1O ZINC001219225031 780201483 /nfs/dbraw/zinc/20/14/83/780201483.db2.gz QVAFCYKESSOSRM-AXFHLTTASA-N 1 2 287.360 -1.163 20 0 CAADLO CC(C)OCCC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(N)=O)C[C@@H]1O ZINC001219225032 780201674 /nfs/dbraw/zinc/20/16/74/780201674.db2.gz QVAFCYKESSOSRM-MXWKQRLJSA-N 1 2 287.360 -1.163 20 0 CAADLO CC(C)OCCC(=O)N[C@@H]1C[N@H+]([C@H](C)C(N)=O)C[C@@H]1O ZINC001219225032 780201680 /nfs/dbraw/zinc/20/16/80/780201680.db2.gz QVAFCYKESSOSRM-MXWKQRLJSA-N 1 2 287.360 -1.163 20 0 CAADLO CN(C)C(=O)C[N@H+]1C[C@@H](NC(=O)COCC2CC2)[C@@H](O)C1 ZINC001219253166 780202707 /nfs/dbraw/zinc/20/27/07/780202707.db2.gz HJHNIMWLFLZKPB-NEPJUHHUSA-N 1 2 299.371 -1.338 20 0 CAADLO CN(C)C(=O)C[N@@H+]1C[C@@H](NC(=O)COCC2CC2)[C@@H](O)C1 ZINC001219253166 780202714 /nfs/dbraw/zinc/20/27/14/780202714.db2.gz HJHNIMWLFLZKPB-NEPJUHHUSA-N 1 2 299.371 -1.338 20 0 CAADLO CCOCCCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(N)=O)C[C@@H]1O ZINC001219248568 780202912 /nfs/dbraw/zinc/20/29/12/780202912.db2.gz ZRXOCQVSYNRDKF-AXFHLTTASA-N 1 2 287.360 -1.162 20 0 CAADLO CCOCCCC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(N)=O)C[C@@H]1O ZINC001219248568 780202918 /nfs/dbraw/zinc/20/29/18/780202918.db2.gz ZRXOCQVSYNRDKF-AXFHLTTASA-N 1 2 287.360 -1.162 20 0 CAADLO CCNC(=O)C[N@H+]1C[C@@H](NC(=O)C[C@H]2CCCO2)[C@@H](O)C1 ZINC001219237662 780202971 /nfs/dbraw/zinc/20/29/71/780202971.db2.gz GCGNNTHPQPHODR-UTUOFQBUSA-N 1 2 299.371 -1.147 20 0 CAADLO CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)C[C@H]2CCCO2)[C@@H](O)C1 ZINC001219237662 780202973 /nfs/dbraw/zinc/20/29/73/780202973.db2.gz GCGNNTHPQPHODR-UTUOFQBUSA-N 1 2 299.371 -1.147 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)CNC(=O)C2CC2)[C@@H](O)C1 ZINC001219256096 780203240 /nfs/dbraw/zinc/20/32/40/780203240.db2.gz BSVJIZIWQRAGNA-SFGNSQDASA-N 1 2 298.343 -2.452 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)CNC(=O)C2CC2)[C@@H](O)C1 ZINC001219256096 780203245 /nfs/dbraw/zinc/20/32/45/780203245.db2.gz BSVJIZIWQRAGNA-SFGNSQDASA-N 1 2 298.343 -2.452 20 0 CAADLO CNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)COCC2CC2)[C@@H](O)C1 ZINC001219253214 780203898 /nfs/dbraw/zinc/20/38/98/780203898.db2.gz KCXWIGIIBVSTBO-WCQGTBRESA-N 1 2 299.371 -1.291 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)COCC2CC2)[C@@H](O)C1 ZINC001219253214 780203902 /nfs/dbraw/zinc/20/39/02/780203902.db2.gz KCXWIGIIBVSTBO-WCQGTBRESA-N 1 2 299.371 -1.291 20 0 CAADLO COCCCC(=O)N[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@@H]1O ZINC001219257708 780204313 /nfs/dbraw/zinc/20/43/13/780204313.db2.gz PSDCYHRQNAWEIJ-VWYCJHECSA-N 1 2 285.344 -1.537 20 0 CAADLO COCCCC(=O)N[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@@H]1O ZINC001219257708 780204315 /nfs/dbraw/zinc/20/43/15/780204315.db2.gz PSDCYHRQNAWEIJ-VWYCJHECSA-N 1 2 285.344 -1.537 20 0 CAADLO CO[C@H](C)C(=O)N[C@@H]1C[N@H+](CC(=O)N2CCCC2)C[C@@H]1O ZINC001219272282 780204375 /nfs/dbraw/zinc/20/43/75/780204375.db2.gz DZGJQYUAVZFTPR-UTUOFQBUSA-N 1 2 299.371 -1.195 20 0 CAADLO CO[C@H](C)C(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCCC2)C[C@@H]1O ZINC001219272282 780204383 /nfs/dbraw/zinc/20/43/83/780204383.db2.gz DZGJQYUAVZFTPR-UTUOFQBUSA-N 1 2 299.371 -1.195 20 0 CAADLO COCCCC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCCNC2=O)C[C@@H]1O ZINC001219257764 780204567 /nfs/dbraw/zinc/20/45/67/780204567.db2.gz SJMPJFLANSEGAA-UTUOFQBUSA-N 1 2 299.371 -1.147 20 0 CAADLO COCCCC(=O)N[C@@H]1C[N@H+]([C@@H]2CCCNC2=O)C[C@@H]1O ZINC001219257764 780204575 /nfs/dbraw/zinc/20/45/75/780204575.db2.gz SJMPJFLANSEGAA-UTUOFQBUSA-N 1 2 299.371 -1.147 20 0 CAADLO CC[C@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)CCCOC)[C@@H](O)C1 ZINC001219263216 780204971 /nfs/dbraw/zinc/20/49/71/780204971.db2.gz DEAGKLKQZSKGND-MXWKQRLJSA-N 1 2 287.360 -1.162 20 0 CAADLO CC[C@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)CCCOC)[C@@H](O)C1 ZINC001219263216 780204975 /nfs/dbraw/zinc/20/49/75/780204975.db2.gz DEAGKLKQZSKGND-MXWKQRLJSA-N 1 2 287.360 -1.162 20 0 CAADLO COCCCC(=O)N[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@@H]1O ZINC001219257491 780205111 /nfs/dbraw/zinc/20/51/11/780205111.db2.gz GAKFECVYQGUXRI-MNOVXSKESA-N 1 2 287.360 -1.338 20 0 CAADLO COCCCC(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@@H]1O ZINC001219257491 780205118 /nfs/dbraw/zinc/20/51/18/780205118.db2.gz GAKFECVYQGUXRI-MNOVXSKESA-N 1 2 287.360 -1.338 20 0 CAADLO COCCCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(N)=O)C[C@@H]1O ZINC001219257918 780205221 /nfs/dbraw/zinc/20/52/21/780205221.db2.gz ZTFGHCYILNNAOH-AEJSXWLSSA-N 1 2 273.333 -1.552 20 0 CAADLO COCCCC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(N)=O)C[C@@H]1O ZINC001219257918 780205224 /nfs/dbraw/zinc/20/52/24/780205224.db2.gz ZTFGHCYILNNAOH-AEJSXWLSSA-N 1 2 273.333 -1.552 20 0 CAADLO CO[C@@H](C)C(=O)N[C@@H]1C[N@H+](CC(=O)N2CCCC2)C[C@@H]1O ZINC001219272281 780205419 /nfs/dbraw/zinc/20/54/19/780205419.db2.gz DZGJQYUAVZFTPR-TUAOUCFPSA-N 1 2 299.371 -1.195 20 0 CAADLO CO[C@@H](C)C(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCCC2)C[C@@H]1O ZINC001219272281 780205423 /nfs/dbraw/zinc/20/54/23/780205423.db2.gz DZGJQYUAVZFTPR-TUAOUCFPSA-N 1 2 299.371 -1.195 20 0 CAADLO COCCCC(=O)N[C@@H]1C[N@@H+]([C@H]2CCCNC2=O)C[C@@H]1O ZINC001219257765 780205434 /nfs/dbraw/zinc/20/54/34/780205434.db2.gz SJMPJFLANSEGAA-WOPDTQHZSA-N 1 2 299.371 -1.147 20 0 CAADLO COCCCC(=O)N[C@@H]1C[N@H+]([C@H]2CCCNC2=O)C[C@@H]1O ZINC001219257765 780205437 /nfs/dbraw/zinc/20/54/37/780205437.db2.gz SJMPJFLANSEGAA-WOPDTQHZSA-N 1 2 299.371 -1.147 20 0 CAADLO CC[C@@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)COC(C)C)[C@@H](O)C1 ZINC001219314696 780207248 /nfs/dbraw/zinc/20/72/48/780207248.db2.gz HQOYFCMPSLFFHE-VWYCJHECSA-N 1 2 287.360 -1.163 20 0 CAADLO CC[C@@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)COC(C)C)[C@@H](O)C1 ZINC001219314696 780207252 /nfs/dbraw/zinc/20/72/52/780207252.db2.gz HQOYFCMPSLFFHE-VWYCJHECSA-N 1 2 287.360 -1.163 20 0 CAADLO CC(C)OCC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@@H]1O ZINC001219311459 780207370 /nfs/dbraw/zinc/20/73/70/780207370.db2.gz ZQFONKYJJYITCX-NEPJUHHUSA-N 1 2 299.371 -1.195 20 0 CAADLO CC(C)OCC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@@H]1O ZINC001219311459 780207377 /nfs/dbraw/zinc/20/73/77/780207377.db2.gz ZQFONKYJJYITCX-NEPJUHHUSA-N 1 2 299.371 -1.195 20 0 CAADLO CNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)COC(C)C)[C@@H](O)C1 ZINC001219312904 780207414 /nfs/dbraw/zinc/20/74/14/780207414.db2.gz QWMAHFHXIHCVBN-AXFHLTTASA-N 1 2 287.360 -1.293 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)COC(C)C)[C@@H](O)C1 ZINC001219312904 780207421 /nfs/dbraw/zinc/20/74/21/780207421.db2.gz QWMAHFHXIHCVBN-AXFHLTTASA-N 1 2 287.360 -1.293 20 0 CAADLO CC(C)OCC(=O)N[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@@H]1O ZINC001219311208 780207500 /nfs/dbraw/zinc/20/75/00/780207500.db2.gz SDENNKUZGFQKEP-VWYCJHECSA-N 1 2 285.344 -1.539 20 0 CAADLO CC(C)OCC(=O)N[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@@H]1O ZINC001219311208 780207507 /nfs/dbraw/zinc/20/75/07/780207507.db2.gz SDENNKUZGFQKEP-VWYCJHECSA-N 1 2 285.344 -1.539 20 0 CAADLO CCN(C)C(=O)C[N@H+]1C[C@@H](NC(=O)[C@H]2CCOC2)[C@@H](O)C1 ZINC001219312358 780208091 /nfs/dbraw/zinc/20/80/91/780208091.db2.gz GDXWZHZYECBHAM-TUAOUCFPSA-N 1 2 299.371 -1.338 20 0 CAADLO CCN(C)C(=O)C[N@@H+]1C[C@@H](NC(=O)[C@H]2CCOC2)[C@@H](O)C1 ZINC001219312358 780208100 /nfs/dbraw/zinc/20/81/00/780208100.db2.gz GDXWZHZYECBHAM-TUAOUCFPSA-N 1 2 299.371 -1.338 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)CC(F)(F)F)[C@@H](O)C1 ZINC001219306686 780208177 /nfs/dbraw/zinc/20/81/77/780208177.db2.gz XABHYDKSKZDYIN-QYNIQEEDSA-N 1 2 283.250 -1.026 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)CC(F)(F)F)[C@@H](O)C1 ZINC001219306686 780208180 /nfs/dbraw/zinc/20/81/80/780208180.db2.gz XABHYDKSKZDYIN-QYNIQEEDSA-N 1 2 283.250 -1.026 20 0 CAADLO CCCOCC(=O)N[C@@H]1C[N@@H+]([C@H](CC)C(N)=O)C[C@@H]1O ZINC001219316751 780208697 /nfs/dbraw/zinc/20/86/97/780208697.db2.gz WOVPFCVLXNFQTG-MXWKQRLJSA-N 1 2 287.360 -1.162 20 0 CAADLO CCCOCC(=O)N[C@@H]1C[N@H+]([C@H](CC)C(N)=O)C[C@@H]1O ZINC001219316751 780208703 /nfs/dbraw/zinc/20/87/03/780208703.db2.gz WOVPFCVLXNFQTG-MXWKQRLJSA-N 1 2 287.360 -1.162 20 0 CAADLO CC(C)OCC(=O)N[C@@H]1C[N@@H+]([C@H]2CCN(C)C2=O)C[C@@H]1O ZINC001219315304 780209063 /nfs/dbraw/zinc/20/90/63/780209063.db2.gz ZLCOGNWMIUCGFE-WOPDTQHZSA-N 1 2 299.371 -1.197 20 0 CAADLO CC(C)OCC(=O)N[C@@H]1C[N@H+]([C@H]2CCN(C)C2=O)C[C@@H]1O ZINC001219315304 780209072 /nfs/dbraw/zinc/20/90/72/780209072.db2.gz ZLCOGNWMIUCGFE-WOPDTQHZSA-N 1 2 299.371 -1.197 20 0 CAADLO CCCOCC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCN(C)C2=O)C[C@@H]1O ZINC001219316263 780209706 /nfs/dbraw/zinc/20/97/06/780209706.db2.gz FFVUKIVRPVOCSE-UTUOFQBUSA-N 1 2 299.371 -1.195 20 0 CAADLO CCCOCC(=O)N[C@@H]1C[N@H+]([C@@H]2CCN(C)C2=O)C[C@@H]1O ZINC001219316263 780209712 /nfs/dbraw/zinc/20/97/12/780209712.db2.gz FFVUKIVRPVOCSE-UTUOFQBUSA-N 1 2 299.371 -1.195 20 0 CAADLO CCOCCC(=O)N[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@@H]1O ZINC001219347529 780210367 /nfs/dbraw/zinc/21/03/67/780210367.db2.gz MVWGZCJSGLCMGB-MNOVXSKESA-N 1 2 287.360 -1.338 20 0 CAADLO CCOCCC(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@@H]1O ZINC001219347529 780210370 /nfs/dbraw/zinc/21/03/70/780210370.db2.gz MVWGZCJSGLCMGB-MNOVXSKESA-N 1 2 287.360 -1.338 20 0 CAADLO CO[C@H](C)CC(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@@H]1O ZINC001219338976 780211412 /nfs/dbraw/zinc/21/14/12/780211412.db2.gz NIVOCSLDTXIXKH-MXWKQRLJSA-N 1 2 287.360 -1.339 20 0 CAADLO CO[C@H](C)CC(=O)N[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@@H]1O ZINC001219338976 780211406 /nfs/dbraw/zinc/21/14/06/780211406.db2.gz NIVOCSLDTXIXKH-MXWKQRLJSA-N 1 2 287.360 -1.339 20 0 CAADLO CCOCCC(=O)N[C@@H]1C[N@H+](CC(=O)NC2CC2)C[C@@H]1O ZINC001219347687 780211520 /nfs/dbraw/zinc/21/15/20/780211520.db2.gz PIYLUSNQSOIJDT-NEPJUHHUSA-N 1 2 299.371 -1.147 20 0 CAADLO CCOCCC(=O)N[C@@H]1C[N@@H+](CC(=O)NC2CC2)C[C@@H]1O ZINC001219347687 780211526 /nfs/dbraw/zinc/21/15/26/780211526.db2.gz PIYLUSNQSOIJDT-NEPJUHHUSA-N 1 2 299.371 -1.147 20 0 CAADLO COCCCCC(=O)N[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@@H]1O ZINC001219335396 780211742 /nfs/dbraw/zinc/21/17/42/780211742.db2.gz ZJJAKQWFNYNAAZ-WOPDTQHZSA-N 1 2 299.371 -1.147 20 0 CAADLO COCCCCC(=O)N[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@@H]1O ZINC001219335396 780211748 /nfs/dbraw/zinc/21/17/48/780211748.db2.gz ZJJAKQWFNYNAAZ-WOPDTQHZSA-N 1 2 299.371 -1.147 20 0 CAADLO COC[C@@H](C)C(=O)N[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@@H]1O ZINC001219355964 780212932 /nfs/dbraw/zinc/21/29/32/780212932.db2.gz RZGMNEWWYUBYSD-MXWKQRLJSA-N 1 2 287.360 -1.482 20 0 CAADLO COC[C@@H](C)C(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@@H]1O ZINC001219355964 780212937 /nfs/dbraw/zinc/21/29/37/780212937.db2.gz RZGMNEWWYUBYSD-MXWKQRLJSA-N 1 2 287.360 -1.482 20 0 CAADLO CCC(=O)NCC(=O)N[C@@H]1C[N@H+](CCF)C[C@@H]1O ZINC001219376127 780214246 /nfs/dbraw/zinc/21/42/46/780214246.db2.gz PQZXLKXNQXWMPZ-BDAKNGLRSA-N 1 2 261.297 -1.357 20 0 CAADLO CCC(=O)NCC(=O)N[C@@H]1C[N@@H+](CCF)C[C@@H]1O ZINC001219376127 780214249 /nfs/dbraw/zinc/21/42/49/780214249.db2.gz PQZXLKXNQXWMPZ-BDAKNGLRSA-N 1 2 261.297 -1.357 20 0 CAADLO CCNC(=O)C[N@H+]1C[C@@H](NC(=O)CC(N)=O)[C@@H](O)C1 ZINC001219403333 780216107 /nfs/dbraw/zinc/21/61/07/780216107.db2.gz ZZXYWYAWLHPETP-SFYZADRCSA-N 1 2 272.305 -2.841 20 0 CAADLO CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)CC(N)=O)[C@@H](O)C1 ZINC001219403333 780216116 /nfs/dbraw/zinc/21/61/16/780216116.db2.gz ZZXYWYAWLHPETP-SFYZADRCSA-N 1 2 272.305 -2.841 20 0 CAADLO CN(C)C(=O)C[N@H+]1C[C@@H](NC(=O)CC(N)=O)[C@@H](O)C1 ZINC001219402521 780216488 /nfs/dbraw/zinc/21/64/88/780216488.db2.gz AQGLFXACQNLOTP-SFYZADRCSA-N 1 2 272.305 -2.889 20 0 CAADLO CN(C)C(=O)C[N@@H+]1C[C@@H](NC(=O)CC(N)=O)[C@@H](O)C1 ZINC001219402521 780216490 /nfs/dbraw/zinc/21/64/90/780216490.db2.gz AQGLFXACQNLOTP-SFYZADRCSA-N 1 2 272.305 -2.889 20 0 CAADLO NC(=O)CC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@@H]1O ZINC001219402817 780216533 /nfs/dbraw/zinc/21/65/33/780216533.db2.gz JVZVGBSWYPTTBD-BDAKNGLRSA-N 1 2 284.316 -2.745 20 0 CAADLO NC(=O)CC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@@H]1O ZINC001219402817 780216534 /nfs/dbraw/zinc/21/65/34/780216534.db2.gz JVZVGBSWYPTTBD-BDAKNGLRSA-N 1 2 284.316 -2.745 20 0 CAADLO NC(=O)CC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCCC2)C[C@@H]1O ZINC001219402732 780216814 /nfs/dbraw/zinc/21/68/14/780216814.db2.gz GQVUZPCLDYWWSP-ZJUUUORDSA-N 1 2 298.343 -2.355 20 0 CAADLO NC(=O)CC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCCC2)C[C@@H]1O ZINC001219402732 780216820 /nfs/dbraw/zinc/21/68/20/780216820.db2.gz GQVUZPCLDYWWSP-ZJUUUORDSA-N 1 2 298.343 -2.355 20 0 CAADLO Cn1nccc1C[N@H+]1C[C@@H](NC(=O)CC(N)=O)[C@@H](O)C1 ZINC001219403272 780217718 /nfs/dbraw/zinc/21/77/18/780217718.db2.gz XVOMGRIFQLGDTJ-ZJUUUORDSA-N 1 2 281.316 -2.043 20 0 CAADLO Cn1nccc1C[N@@H+]1C[C@@H](NC(=O)CC(N)=O)[C@@H](O)C1 ZINC001219403272 780217722 /nfs/dbraw/zinc/21/77/22/780217722.db2.gz XVOMGRIFQLGDTJ-ZJUUUORDSA-N 1 2 281.316 -2.043 20 0 CAADLO C[C@@H](C(=O)NC1CC1)[N@H+]1C[C@@H](NC(=O)CC(N)=O)[C@@H](O)C1 ZINC001219404600 780217734 /nfs/dbraw/zinc/21/77/34/780217734.db2.gz XODCGCGFBFYPNM-SFGNSQDASA-N 1 2 298.343 -2.310 20 0 CAADLO C[C@@H](C(=O)NC1CC1)[N@@H+]1C[C@@H](NC(=O)CC(N)=O)[C@@H](O)C1 ZINC001219404600 780217740 /nfs/dbraw/zinc/21/77/40/780217740.db2.gz XODCGCGFBFYPNM-SFGNSQDASA-N 1 2 298.343 -2.310 20 0 CAADLO CNC(=O)C[N@H+]1C[C@@H](NC(=O)CC(N)=O)[C@@H](O)C1 ZINC001219403177 780217783 /nfs/dbraw/zinc/21/77/83/780217783.db2.gz UDEIHSIUFOTWKV-RQJHMYQMSA-N 1 2 258.278 -3.231 20 0 CAADLO CNC(=O)C[N@@H+]1C[C@@H](NC(=O)CC(N)=O)[C@@H](O)C1 ZINC001219403177 780217789 /nfs/dbraw/zinc/21/77/89/780217789.db2.gz UDEIHSIUFOTWKV-RQJHMYQMSA-N 1 2 258.278 -3.231 20 0 CAADLO CCCCOCC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@@H]1O ZINC001219407830 780217888 /nfs/dbraw/zinc/21/78/88/780217888.db2.gz JTIPADLAGIXSHB-UTUOFQBUSA-N 1 2 299.371 -1.147 20 0 CAADLO CCCCOCC(=O)N[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@@H]1O ZINC001219407830 780217891 /nfs/dbraw/zinc/21/78/91/780217891.db2.gz JTIPADLAGIXSHB-UTUOFQBUSA-N 1 2 299.371 -1.147 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)CC(N)=O)[C@@H](O)C1 ZINC001219404537 780217919 /nfs/dbraw/zinc/21/79/19/780217919.db2.gz VVTVPWMXAYKWBS-QYNIQEEDSA-N 1 2 258.278 -3.103 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)CC(N)=O)[C@@H](O)C1 ZINC001219404537 780217926 /nfs/dbraw/zinc/21/79/26/780217926.db2.gz VVTVPWMXAYKWBS-QYNIQEEDSA-N 1 2 258.278 -3.103 20 0 CAADLO CCCCOCC(=O)N[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@@H]1O ZINC001219407831 780218298 /nfs/dbraw/zinc/21/82/98/780218298.db2.gz JTIPADLAGIXSHB-WOPDTQHZSA-N 1 2 299.371 -1.147 20 0 CAADLO CCCCOCC(=O)N[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@@H]1O ZINC001219407831 780218302 /nfs/dbraw/zinc/21/83/02/780218302.db2.gz JTIPADLAGIXSHB-WOPDTQHZSA-N 1 2 299.371 -1.147 20 0 CAADLO CCN1CC[C@@H]([N@H+]2C[C@@H](NC(=O)CC(N)=O)[C@@H](O)C2)C1=O ZINC001219413553 780219142 /nfs/dbraw/zinc/21/91/42/780219142.db2.gz ULKPSBIPVUCERZ-BBBLOLIVSA-N 1 2 298.343 -2.356 20 0 CAADLO CCN1CC[C@@H]([N@@H+]2C[C@@H](NC(=O)CC(N)=O)[C@@H](O)C2)C1=O ZINC001219413553 780219149 /nfs/dbraw/zinc/21/91/49/780219149.db2.gz ULKPSBIPVUCERZ-BBBLOLIVSA-N 1 2 298.343 -2.356 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)/C=C\C2CC2)[C@@H](O)C1 ZINC001219420944 780219174 /nfs/dbraw/zinc/21/91/74/780219174.db2.gz ZKVJHHJZUPHDAG-SFGGJRESSA-N 1 2 267.329 -1.012 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)/C=C\C2CC2)[C@@H](O)C1 ZINC001219420944 780219184 /nfs/dbraw/zinc/21/91/84/780219184.db2.gz ZKVJHHJZUPHDAG-SFGGJRESSA-N 1 2 267.329 -1.012 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)/C=C/C2CC2)[C@@H](O)C1 ZINC001219420943 780219434 /nfs/dbraw/zinc/21/94/34/780219434.db2.gz ZKVJHHJZUPHDAG-NYIKTPFZSA-N 1 2 267.329 -1.012 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)/C=C/C2CC2)[C@@H](O)C1 ZINC001219420943 780219442 /nfs/dbraw/zinc/21/94/42/780219442.db2.gz ZKVJHHJZUPHDAG-NYIKTPFZSA-N 1 2 267.329 -1.012 20 0 CAADLO Cc1ncc(C[N@H+]2C[C@@H](NC(=O)CC(N)=O)[C@@H](O)C2)o1 ZINC001219413597 780219871 /nfs/dbraw/zinc/21/98/71/780219871.db2.gz WNGZMUVRBJJEMQ-ZJUUUORDSA-N 1 2 282.300 -1.480 20 0 CAADLO Cc1ncc(C[N@@H+]2C[C@@H](NC(=O)CC(N)=O)[C@@H](O)C2)o1 ZINC001219413597 780219877 /nfs/dbraw/zinc/21/98/77/780219877.db2.gz WNGZMUVRBJJEMQ-ZJUUUORDSA-N 1 2 282.300 -1.480 20 0 CAADLO NC(=O)CC(=O)N[C@@H]1C[N@H+](Cc2ccns2)C[C@@H]1O ZINC001219413264 780220059 /nfs/dbraw/zinc/22/00/59/780220059.db2.gz NLBLNQMKEXFLLR-BDAKNGLRSA-N 1 2 284.341 -1.320 20 0 CAADLO NC(=O)CC(=O)N[C@@H]1C[N@@H+](Cc2ccns2)C[C@@H]1O ZINC001219413264 780220066 /nfs/dbraw/zinc/22/00/66/780220066.db2.gz NLBLNQMKEXFLLR-BDAKNGLRSA-N 1 2 284.341 -1.320 20 0 CAADLO CCN1CC[C@H]([N@H+]2C[C@@H](NC(=O)CC(N)=O)[C@@H](O)C2)C1=O ZINC001219413554 780220137 /nfs/dbraw/zinc/22/01/37/780220137.db2.gz ULKPSBIPVUCERZ-UTLUCORTSA-N 1 2 298.343 -2.356 20 0 CAADLO CCN1CC[C@H]([N@@H+]2C[C@@H](NC(=O)CC(N)=O)[C@@H](O)C2)C1=O ZINC001219413554 780220140 /nfs/dbraw/zinc/22/01/40/780220140.db2.gz ULKPSBIPVUCERZ-UTLUCORTSA-N 1 2 298.343 -2.356 20 0 CAADLO C[C@H](C(=O)N(C)C)[N@H+]1C[C@@H](NC(=O)CC(N)=O)[C@@H](O)C1 ZINC001219412885 780220281 /nfs/dbraw/zinc/22/02/81/780220281.db2.gz HSOABKBXKWIHTI-HLTSFMKQSA-N 1 2 286.332 -2.500 20 0 CAADLO C[C@H](C(=O)N(C)C)[N@@H+]1C[C@@H](NC(=O)CC(N)=O)[C@@H](O)C1 ZINC001219412885 780220286 /nfs/dbraw/zinc/22/02/86/780220286.db2.gz HSOABKBXKWIHTI-HLTSFMKQSA-N 1 2 286.332 -2.500 20 0 CAADLO Cc1nccnc1C[N@H+]1C[C@@H](NC(=O)CC(N)=O)[C@@H](O)C1 ZINC001219412863 780220561 /nfs/dbraw/zinc/22/05/61/780220561.db2.gz GMSMTTLQCULTMY-MNOVXSKESA-N 1 2 293.327 -1.678 20 0 CAADLO Cc1nccnc1C[N@@H+]1C[C@@H](NC(=O)CC(N)=O)[C@@H](O)C1 ZINC001219412863 780220566 /nfs/dbraw/zinc/22/05/66/780220566.db2.gz GMSMTTLQCULTMY-MNOVXSKESA-N 1 2 293.327 -1.678 20 0 CAADLO CCOCC[N@H+]1C[C@@H](NC(=O)CCc2nc[nH]n2)[C@@H](O)C1 ZINC001219433042 780221001 /nfs/dbraw/zinc/22/10/01/780221001.db2.gz ZKWXQOCWKOZYMW-MNOVXSKESA-N 1 2 297.359 -1.065 20 0 CAADLO CCOCC[N@@H+]1C[C@@H](NC(=O)CCc2nc[nH]n2)[C@@H](O)C1 ZINC001219433042 780221003 /nfs/dbraw/zinc/22/10/03/780221003.db2.gz ZKWXQOCWKOZYMW-MNOVXSKESA-N 1 2 297.359 -1.065 20 0 CAADLO CNC(=O)C[N@H+]1C[C@@H](NC(=O)/C=C/C2CC2)[C@@H](O)C1 ZINC001219429029 780221078 /nfs/dbraw/zinc/22/10/78/780221078.db2.gz VJJGRESVWCDBDT-ZJRFNNFUSA-N 1 2 267.329 -1.140 20 0 CAADLO CNC(=O)C[N@@H+]1C[C@@H](NC(=O)/C=C/C2CC2)[C@@H](O)C1 ZINC001219429029 780221082 /nfs/dbraw/zinc/22/10/82/780221082.db2.gz VJJGRESVWCDBDT-ZJRFNNFUSA-N 1 2 267.329 -1.140 20 0 CAADLO C/C=C(\C)C(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)NC(N)=O)C[C@@H]1O ZINC001219448299 780221214 /nfs/dbraw/zinc/22/12/14/780221214.db2.gz SLRVQZZFCMHEIP-TZJCRSHLSA-N 1 2 298.343 -1.303 20 0 CAADLO C/C=C(\C)C(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)NC(N)=O)C[C@@H]1O ZINC001219448299 780221217 /nfs/dbraw/zinc/22/12/17/780221217.db2.gz SLRVQZZFCMHEIP-TZJCRSHLSA-N 1 2 298.343 -1.303 20 0 CAADLO C/C=C(/C)C(=O)N[C@@H]1C[N@@H+]([C@H]2CCC(=O)NC2=O)C[C@@H]1O ZINC001219443659 780221928 /nfs/dbraw/zinc/22/19/28/780221928.db2.gz WRKIUTOXTRICSO-LXZBWRQPSA-N 1 2 295.339 -1.081 20 0 CAADLO C/C=C(/C)C(=O)N[C@@H]1C[N@H+]([C@H]2CCC(=O)NC2=O)C[C@@H]1O ZINC001219443659 780221933 /nfs/dbraw/zinc/22/19/33/780221933.db2.gz WRKIUTOXTRICSO-LXZBWRQPSA-N 1 2 295.339 -1.081 20 0 CAADLO C/C=C(/C)C(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)NC(N)=O)C[C@@H]1O ZINC001219448300 780221969 /nfs/dbraw/zinc/22/19/69/780221969.db2.gz SLRVQZZFCMHEIP-WAANEEPBSA-N 1 2 298.343 -1.303 20 0 CAADLO C/C=C(/C)C(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)NC(N)=O)C[C@@H]1O ZINC001219448300 780221973 /nfs/dbraw/zinc/22/19/73/780221973.db2.gz SLRVQZZFCMHEIP-WAANEEPBSA-N 1 2 298.343 -1.303 20 0 CAADLO C/C=C(\C)C(=O)N[C@@H]1C[N@@H+]([C@H]2CCC(=O)NC2=O)C[C@@H]1O ZINC001219443661 780222174 /nfs/dbraw/zinc/22/21/74/780222174.db2.gz WRKIUTOXTRICSO-OVUNTSNTSA-N 1 2 295.339 -1.081 20 0 CAADLO C/C=C(\C)C(=O)N[C@@H]1C[N@H+]([C@H]2CCC(=O)NC2=O)C[C@@H]1O ZINC001219443661 780222178 /nfs/dbraw/zinc/22/21/78/780222178.db2.gz WRKIUTOXTRICSO-OVUNTSNTSA-N 1 2 295.339 -1.081 20 0 CAADLO CCNC(=O)CC(=O)N[C@@H]1C[N@H+](CC(=O)NC)C[C@@H]1O ZINC001219494463 780222905 /nfs/dbraw/zinc/22/29/05/780222905.db2.gz RIXIIYGAXDCWIY-BDAKNGLRSA-N 1 2 286.332 -2.580 20 0 CAADLO CCNC(=O)CC(=O)N[C@@H]1C[N@@H+](CC(=O)NC)C[C@@H]1O ZINC001219494463 780222910 /nfs/dbraw/zinc/22/29/10/780222910.db2.gz RIXIIYGAXDCWIY-BDAKNGLRSA-N 1 2 286.332 -2.580 20 0 CAADLO CCNC(=O)CC(=O)N[C@@H]1C[N@H+](CCF)C[C@@H]1O ZINC001219495951 780223564 /nfs/dbraw/zinc/22/35/64/780223564.db2.gz VXNFASZYYJGBRL-BDAKNGLRSA-N 1 2 261.297 -1.357 20 0 CAADLO CCNC(=O)CC(=O)N[C@@H]1C[N@@H+](CCF)C[C@@H]1O ZINC001219495951 780223568 /nfs/dbraw/zinc/22/35/68/780223568.db2.gz VXNFASZYYJGBRL-BDAKNGLRSA-N 1 2 261.297 -1.357 20 0 CAADLO CCNC(=O)CC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(N)=O)C[C@@H]1O ZINC001219496019 780223767 /nfs/dbraw/zinc/22/37/67/780223767.db2.gz XVAYJDZBQLYONU-YIZRAAEISA-N 1 2 286.332 -2.452 20 0 CAADLO CCNC(=O)CC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(N)=O)C[C@@H]1O ZINC001219496019 780223771 /nfs/dbraw/zinc/22/37/71/780223771.db2.gz XVAYJDZBQLYONU-YIZRAAEISA-N 1 2 286.332 -2.452 20 0 CAADLO CNC(=O)CC(=O)N[C@@H]1C[N@H+](Cc2cnn(C)c2)C[C@@H]1O ZINC001219508227 780224536 /nfs/dbraw/zinc/22/45/36/780224536.db2.gz RPDZPRHIJDYHEV-MNOVXSKESA-N 1 2 295.343 -1.783 20 0 CAADLO CNC(=O)CC(=O)N[C@@H]1C[N@@H+](Cc2cnn(C)c2)C[C@@H]1O ZINC001219508227 780224542 /nfs/dbraw/zinc/22/45/42/780224542.db2.gz RPDZPRHIJDYHEV-MNOVXSKESA-N 1 2 295.343 -1.783 20 0 CAADLO CNC(=O)CC(=O)N[C@@H]1C[N@H+](Cc2conc2C)C[C@@H]1O ZINC001219508039 780224829 /nfs/dbraw/zinc/22/48/29/780224829.db2.gz JWZGTLRGWZDYCG-MNOVXSKESA-N 1 2 296.327 -1.220 20 0 CAADLO CNC(=O)CC(=O)N[C@@H]1C[N@@H+](Cc2conc2C)C[C@@H]1O ZINC001219508039 780224833 /nfs/dbraw/zinc/22/48/33/780224833.db2.gz JWZGTLRGWZDYCG-MNOVXSKESA-N 1 2 296.327 -1.220 20 0 CAADLO CNC(=O)CC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(N)=O)C[C@@H]1O ZINC001219508089 780224843 /nfs/dbraw/zinc/22/48/43/780224843.db2.gz LZUBPGZGIGDPGJ-PRJMDXOYSA-N 1 2 272.305 -2.842 20 0 CAADLO CNC(=O)CC(=O)N[C@@H]1C[N@H+]([C@H](C)C(N)=O)C[C@@H]1O ZINC001219508089 780224847 /nfs/dbraw/zinc/22/48/47/780224847.db2.gz LZUBPGZGIGDPGJ-PRJMDXOYSA-N 1 2 272.305 -2.842 20 0 CAADLO CNC(=O)CC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@@H]1O ZINC001219507890 780224945 /nfs/dbraw/zinc/22/49/45/780224945.db2.gz BQZDBCUVDWDPMY-ZJUUUORDSA-N 1 2 298.343 -2.484 20 0 CAADLO CNC(=O)CC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@@H]1O ZINC001219507890 780224948 /nfs/dbraw/zinc/22/49/48/780224948.db2.gz BQZDBCUVDWDPMY-ZJUUUORDSA-N 1 2 298.343 -2.484 20 0 CAADLO CC[C@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)CC(=O)NC)[C@@H](O)C1 ZINC001219505930 780225363 /nfs/dbraw/zinc/22/53/63/780225363.db2.gz RKXWIDWCNTYWCK-HLTSFMKQSA-N 1 2 286.332 -2.452 20 0 CAADLO CC[C@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)CC(=O)NC)[C@@H](O)C1 ZINC001219505930 780225372 /nfs/dbraw/zinc/22/53/72/780225372.db2.gz RKXWIDWCNTYWCK-HLTSFMKQSA-N 1 2 286.332 -2.452 20 0 CAADLO CNC(=O)CC(=O)N[C@@H]1C[N@H+](Cc2cncs2)C[C@@H]1O ZINC001219510576 780226207 /nfs/dbraw/zinc/22/62/07/780226207.db2.gz VUWHVHUSOQFTRC-ZJUUUORDSA-N 1 2 298.368 -1.060 20 0 CAADLO CNC(=O)CC(=O)N[C@@H]1C[N@@H+](Cc2cncs2)C[C@@H]1O ZINC001219510576 780226213 /nfs/dbraw/zinc/22/62/13/780226213.db2.gz VUWHVHUSOQFTRC-ZJUUUORDSA-N 1 2 298.368 -1.060 20 0 CAADLO CNC(=O)CC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)NC)C[C@@H]1O ZINC001219510112 780226626 /nfs/dbraw/zinc/22/66/26/780226626.db2.gz ISGGVXLGJVXQLB-YIZRAAEISA-N 1 2 286.332 -2.582 20 0 CAADLO CNC(=O)CC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC)C[C@@H]1O ZINC001219510112 780226620 /nfs/dbraw/zinc/22/66/20/780226620.db2.gz ISGGVXLGJVXQLB-YIZRAAEISA-N 1 2 286.332 -2.582 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)CCn2ccnn2)[C@@H](O)C1 ZINC001219517313 780227298 /nfs/dbraw/zinc/22/72/98/780227298.db2.gz ULKRCJKHVFTHQB-AEJSXWLSSA-N 1 2 296.331 -2.297 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)CCn2ccnn2)[C@@H](O)C1 ZINC001219517313 780227303 /nfs/dbraw/zinc/22/73/03/780227303.db2.gz ULKRCJKHVFTHQB-AEJSXWLSSA-N 1 2 296.331 -2.297 20 0 CAADLO CNC(=O)CN1C[C@@H](NC(=O)CCc2[nH]cc[nH+]2)[C@@H](O)C1 ZINC001219543547 780228274 /nfs/dbraw/zinc/22/82/74/780228274.db2.gz NAANFEPJLNJIGP-ZJUUUORDSA-N 1 2 295.343 -1.750 20 0 CAADLO CN1CC[C@H]([N@H+]2C[C@@H](NC(=O)CC(C)(C)O)[C@@H](O)C2)C1=O ZINC001219552714 780228316 /nfs/dbraw/zinc/22/83/16/780228316.db2.gz HUHFHCWDYQSYOB-VWYCJHECSA-N 1 2 299.371 -1.461 20 0 CAADLO CN1CC[C@H]([N@@H+]2C[C@@H](NC(=O)CC(C)(C)O)[C@@H](O)C2)C1=O ZINC001219552714 780228319 /nfs/dbraw/zinc/22/83/19/780228319.db2.gz HUHFHCWDYQSYOB-VWYCJHECSA-N 1 2 299.371 -1.461 20 0 CAADLO CNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)CC(C)(C)O)[C@@H](O)C1 ZINC001219552837 780228360 /nfs/dbraw/zinc/22/83/60/780228360.db2.gz LIXCPFBCCJYPEY-AEJSXWLSSA-N 1 2 287.360 -1.557 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)CC(C)(C)O)[C@@H](O)C1 ZINC001219552837 780228362 /nfs/dbraw/zinc/22/83/62/780228362.db2.gz LIXCPFBCCJYPEY-AEJSXWLSSA-N 1 2 287.360 -1.557 20 0 CAADLO NC(=O)CN1C[C@@H](NC(=O)CCc2[nH]cc[nH+]2)[C@@H](O)C1 ZINC001219543720 780228483 /nfs/dbraw/zinc/22/84/83/780228483.db2.gz QUCCAVWZJVTBSH-BDAKNGLRSA-N 1 2 281.316 -2.011 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)CC(C)(C)O)[C@@H](O)C1 ZINC001219552839 780228555 /nfs/dbraw/zinc/22/85/55/780228555.db2.gz LIXCPFBCCJYPEY-BBBLOLIVSA-N 1 2 287.360 -1.557 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CC(C)(C)O)[C@@H](O)C1 ZINC001219552839 780228561 /nfs/dbraw/zinc/22/85/61/780228561.db2.gz LIXCPFBCCJYPEY-BBBLOLIVSA-N 1 2 287.360 -1.557 20 0 CAADLO C[C@H](C(N)=O)N1C[C@@H](NC(=O)CCc2[nH]cc[nH+]2)[C@@H](O)C1 ZINC001219551128 780229139 /nfs/dbraw/zinc/22/91/39/780229139.db2.gz ROQYSXXDHXYTKL-BBBLOLIVSA-N 1 2 295.343 -1.623 20 0 CAADLO CN1CC[C@@H]([N@H+]2C[C@@H](NC(=O)CC(C)(C)O)[C@@H](O)C2)C1=O ZINC001219552713 780229474 /nfs/dbraw/zinc/22/94/74/780229474.db2.gz HUHFHCWDYQSYOB-MXWKQRLJSA-N 1 2 299.371 -1.461 20 0 CAADLO CN1CC[C@@H]([N@@H+]2C[C@@H](NC(=O)CC(C)(C)O)[C@@H](O)C2)C1=O ZINC001219552713 780229481 /nfs/dbraw/zinc/22/94/81/780229481.db2.gz HUHFHCWDYQSYOB-MXWKQRLJSA-N 1 2 299.371 -1.461 20 0 CAADLO CNC(=O)NCCC(=O)N[C@@H]1C[N@H+](CCF)C[C@@H]1O ZINC001219571276 780233965 /nfs/dbraw/zinc/23/39/65/780233965.db2.gz MEXXLJKUDBHYPL-BDAKNGLRSA-N 1 2 276.312 -1.564 20 0 CAADLO CNC(=O)NCCC(=O)N[C@@H]1C[N@@H+](CCF)C[C@@H]1O ZINC001219571276 780233973 /nfs/dbraw/zinc/23/39/73/780233973.db2.gz MEXXLJKUDBHYPL-BDAKNGLRSA-N 1 2 276.312 -1.564 20 0 CAADLO [NH3+][C@@H](Cc1nn[nH]n1)C(=O)NCCC(=O)N1CCOCC1 ZINC001219573165 780234409 /nfs/dbraw/zinc/23/44/09/780234409.db2.gz GFQJTZQBUKFNPF-QMMMGPOBSA-N 1 2 297.319 -2.565 20 0 CAADLO O=C(CC1(O)CCC1)N[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@@H]1O ZINC001219593118 780234847 /nfs/dbraw/zinc/23/48/47/780234847.db2.gz DCNKHTQYANHABF-VWYCJHECSA-N 1 2 297.355 -1.659 20 0 CAADLO O=C(CC1(O)CCC1)N[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@@H]1O ZINC001219593118 780234855 /nfs/dbraw/zinc/23/48/55/780234855.db2.gz DCNKHTQYANHABF-VWYCJHECSA-N 1 2 297.355 -1.659 20 0 CAADLO CC[C@@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)CC2(O)CCC2)[C@@H](O)C1 ZINC001219594274 780235268 /nfs/dbraw/zinc/23/52/68/780235268.db2.gz JENCTHDOTLPAON-VWYCJHECSA-N 1 2 299.371 -1.283 20 0 CAADLO CC[C@@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)CC2(O)CCC2)[C@@H](O)C1 ZINC001219594274 780235274 /nfs/dbraw/zinc/23/52/74/780235274.db2.gz JENCTHDOTLPAON-VWYCJHECSA-N 1 2 299.371 -1.283 20 0 CAADLO O=C(CC1(O)CCC1)N[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@@H]1O ZINC001219593117 780235427 /nfs/dbraw/zinc/23/54/27/780235427.db2.gz DCNKHTQYANHABF-MXWKQRLJSA-N 1 2 297.355 -1.659 20 0 CAADLO O=C(CC1(O)CCC1)N[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@@H]1O ZINC001219593117 780235431 /nfs/dbraw/zinc/23/54/31/780235431.db2.gz DCNKHTQYANHABF-MXWKQRLJSA-N 1 2 297.355 -1.659 20 0 CAADLO CC[C@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)CC2(O)CCC2)[C@@H](O)C1 ZINC001219594273 780235544 /nfs/dbraw/zinc/23/55/44/780235544.db2.gz JENCTHDOTLPAON-MXWKQRLJSA-N 1 2 299.371 -1.283 20 0 CAADLO CC[C@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)CC2(O)CCC2)[C@@H](O)C1 ZINC001219594273 780235546 /nfs/dbraw/zinc/23/55/46/780235546.db2.gz JENCTHDOTLPAON-MXWKQRLJSA-N 1 2 299.371 -1.283 20 0 CAADLO CCNC(=O)C[N@H+]1C[C@@H](NC(=O)CC2(O)CCC2)[C@@H](O)C1 ZINC001219593140 780235655 /nfs/dbraw/zinc/23/56/55/780235655.db2.gz DVGBBADIKHFMBW-MNOVXSKESA-N 1 2 299.371 -1.411 20 0 CAADLO CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)CC2(O)CCC2)[C@@H](O)C1 ZINC001219593140 780235659 /nfs/dbraw/zinc/23/56/59/780235659.db2.gz DVGBBADIKHFMBW-MNOVXSKESA-N 1 2 299.371 -1.411 20 0 CAADLO COCC1(CC(=O)N[C@@H]2C[N@@H+]([C@@H](C)C(N)=O)C[C@@H]2O)CC1 ZINC001219598418 780237220 /nfs/dbraw/zinc/23/72/20/780237220.db2.gz WWFQBZJXXFIUIX-AXFHLTTASA-N 1 2 299.371 -1.162 20 0 CAADLO COCC1(CC(=O)N[C@@H]2C[N@H+]([C@@H](C)C(N)=O)C[C@@H]2O)CC1 ZINC001219598418 780237223 /nfs/dbraw/zinc/23/72/23/780237223.db2.gz WWFQBZJXXFIUIX-AXFHLTTASA-N 1 2 299.371 -1.162 20 0 CAADLO CS(=O)(=O)CCNC(=O)[C@@H]([NH3+])Cc1nn[nH]n1 ZINC001219608087 780238011 /nfs/dbraw/zinc/23/80/11/780238011.db2.gz OLNXMLMWXFAYNJ-YFKPBYRVSA-N 1 2 262.295 -2.770 20 0 CAADLO CNS(=O)(=O)CCC(=O)N[C@@H]1C[N@H+](CCF)C[C@@H]1O ZINC001219615166 780238725 /nfs/dbraw/zinc/23/87/25/780238725.db2.gz FWDLHIOVVMOHIF-BDAKNGLRSA-N 1 2 297.352 -1.944 20 0 CAADLO CNS(=O)(=O)CCC(=O)N[C@@H]1C[N@@H+](CCF)C[C@@H]1O ZINC001219615166 780238735 /nfs/dbraw/zinc/23/87/35/780238735.db2.gz FWDLHIOVVMOHIF-BDAKNGLRSA-N 1 2 297.352 -1.944 20 0 CAADLO COC(=O)[C@@H]([NH3+])CCC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC001219671702 780247012 /nfs/dbraw/zinc/24/70/12/780247012.db2.gz OJVUHFWMFBGMMS-SFYZADRCSA-N 1 2 278.330 -1.430 20 0 CAADLO C[C@@H](O)[C@H]1C(=O)N[C@@H]1[C@H](C)C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC001219694143 780248847 /nfs/dbraw/zinc/24/88/47/780248847.db2.gz FWFMKHBQDCRCSA-RNWYCLNJSA-N 1 2 299.371 -1.435 20 0 CAADLO C[C@@H](O)[C@H]1C(=O)N[C@@H]1[C@H](C)C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC001219694143 780248850 /nfs/dbraw/zinc/24/88/50/780248850.db2.gz FWFMKHBQDCRCSA-RNWYCLNJSA-N 1 2 299.371 -1.435 20 0 CAADLO CCOC(=O)CCNC(=O)[C@@H]([NH3+])Cc1nn[nH]n1 ZINC001219691881 780248875 /nfs/dbraw/zinc/24/88/75/780248875.db2.gz YZQUIPHSWDOFRK-LURJTMIESA-N 1 2 256.266 -1.861 20 0 CAADLO C[C@@H](O)[C@H]1C(=O)N[C@@H]1[C@@H](C)C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC001219694141 780249038 /nfs/dbraw/zinc/24/90/38/780249038.db2.gz FWFMKHBQDCRCSA-LZQZFOIKSA-N 1 2 299.371 -1.435 20 0 CAADLO C[C@@H](O)[C@H]1C(=O)N[C@@H]1[C@@H](C)C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC001219694141 780249046 /nfs/dbraw/zinc/24/90/46/780249046.db2.gz FWFMKHBQDCRCSA-LZQZFOIKSA-N 1 2 299.371 -1.435 20 0 CAADLO COC(=O)[C@@H](N)CC(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC001219694508 780250024 /nfs/dbraw/zinc/25/00/24/780250024.db2.gz KFHKMTRFPHDFDE-IUCAKERBSA-N 1 2 259.306 -1.676 20 0 CAADLO COC(=O)[C@@H](N)CC(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC001219694508 780250027 /nfs/dbraw/zinc/25/00/27/780250027.db2.gz KFHKMTRFPHDFDE-IUCAKERBSA-N 1 2 259.306 -1.676 20 0 CAADLO C[N@@H+]1CCO[C@H](CNC(=O)Cn2cccc(N)c2=O)C1 ZINC001219694665 780250207 /nfs/dbraw/zinc/25/02/07/780250207.db2.gz LFHMNDTVXCPZDR-SNVBAGLBSA-N 1 2 280.328 -1.123 20 0 CAADLO C[N@H+]1CCO[C@H](CNC(=O)Cn2cccc(N)c2=O)C1 ZINC001219694665 780250214 /nfs/dbraw/zinc/25/02/14/780250214.db2.gz LFHMNDTVXCPZDR-SNVBAGLBSA-N 1 2 280.328 -1.123 20 0 CAADLO COC(=O)[C@@H](N)CC(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC001219694507 780250408 /nfs/dbraw/zinc/25/04/08/780250408.db2.gz KFHKMTRFPHDFDE-BDAKNGLRSA-N 1 2 259.306 -1.676 20 0 CAADLO COC(=O)[C@@H](N)CC(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC001219694507 780250416 /nfs/dbraw/zinc/25/04/16/780250416.db2.gz KFHKMTRFPHDFDE-BDAKNGLRSA-N 1 2 259.306 -1.676 20 0 CAADLO CS(=O)(=O)NCCC(=O)N[C@@H]1C[N@H+](CCF)C[C@@H]1O ZINC001219735197 780253859 /nfs/dbraw/zinc/25/38/59/780253859.db2.gz ZIRGRGPSJHYWIR-BDAKNGLRSA-N 1 2 297.352 -1.944 20 0 CAADLO CS(=O)(=O)NCCC(=O)N[C@@H]1C[N@@H+](CCF)C[C@@H]1O ZINC001219735197 780253863 /nfs/dbraw/zinc/25/38/63/780253863.db2.gz ZIRGRGPSJHYWIR-BDAKNGLRSA-N 1 2 297.352 -1.944 20 0 CAADLO O=C(CCc1cnc[nH]1)N[C@@H]1C[N@H+](CCO)C[C@@H]1O ZINC001219774565 780261172 /nfs/dbraw/zinc/26/11/72/780261172.db2.gz TWKUWYFXIMNZFG-MNOVXSKESA-N 1 2 268.317 -1.504 20 0 CAADLO O=C(CCc1cnc[nH]1)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001219774565 780261176 /nfs/dbraw/zinc/26/11/76/780261176.db2.gz TWKUWYFXIMNZFG-MNOVXSKESA-N 1 2 268.317 -1.504 20 0 CAADLO [NH3+][C@@H](Cc1nn[nH]n1)C(=O)N[C@@H]1c2ccccc2C[C@@H]1O ZINC001219865975 780271828 /nfs/dbraw/zinc/27/18/28/780271828.db2.gz YGBFPKDRMBWQKP-JBLDHEPKSA-N 1 2 288.311 -1.156 20 0 CAADLO CC(C)OC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])Cc1nn[nH]n1 ZINC001219880502 780273344 /nfs/dbraw/zinc/27/33/44/780273344.db2.gz BVKGSEUSYDZWHR-BQBZGAKWSA-N 1 2 270.293 -1.474 20 0 CAADLO Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N[C@@H]1SC(=O)[N-]C1=O ZINC001219904083 780275074 /nfs/dbraw/zinc/27/50/74/780275074.db2.gz PODBANDMNVNWHY-IMTBSYHQSA-N 1 2 283.313 -1.285 20 0 CAADLO O=C(N[C@@H]1SC(=O)NC1=O)[C@@]12C[NH2+]C[C@@H]1CCN2 ZINC001219903791 780275708 /nfs/dbraw/zinc/27/57/08/780275708.db2.gz HJYSCJCNYXUIHZ-WVBSTYLSSA-N 1 2 270.314 -1.637 20 0 CAADLO Nc1ccccc1CNC(=O)[C@@H]([NH3+])Cc1nn[nH]n1 ZINC001219925265 780277092 /nfs/dbraw/zinc/27/70/92/780277092.db2.gz HWZGHLGUCNJZLW-VIFPVBQESA-N 1 2 261.289 -1.032 20 0 CAADLO COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)c2cn[nH]n2)[C@@H](O)C1 ZINC001219936149 780279160 /nfs/dbraw/zinc/27/91/60/780279160.db2.gz QPXNVOIUBDIVFN-SFGNSQDASA-N 1 2 285.304 -2.413 20 0 CAADLO COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)c2cn[nH]n2)[C@@H](O)C1 ZINC001219936149 780279168 /nfs/dbraw/zinc/27/91/68/780279168.db2.gz QPXNVOIUBDIVFN-SFGNSQDASA-N 1 2 285.304 -2.413 20 0 CAADLO COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)c2cnn[nH]2)[C@@H](O)C1 ZINC001219936149 780279177 /nfs/dbraw/zinc/27/91/77/780279177.db2.gz QPXNVOIUBDIVFN-SFGNSQDASA-N 1 2 285.304 -2.413 20 0 CAADLO COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)c2cnn[nH]2)[C@@H](O)C1 ZINC001219936149 780279187 /nfs/dbraw/zinc/27/91/87/780279187.db2.gz QPXNVOIUBDIVFN-SFGNSQDASA-N 1 2 285.304 -2.413 20 0 CAADLO COC(=O)[C@@H]([NH3+])CCC(=O)N[C@@H]1C=CS(=O)(=O)C1 ZINC001219945291 780279722 /nfs/dbraw/zinc/27/97/22/780279722.db2.gz GVLOBYNCLGGVHM-SFYZADRCSA-N 1 2 276.314 -1.306 20 0 CAADLO Cc1nonc1CNC(=O)[C@@H]([NH3+])Cc1nn[nH]n1 ZINC001219948212 780280588 /nfs/dbraw/zinc/28/05/88/780280588.db2.gz OVSYHWJHVJLAFQ-YFKPBYRVSA-N 1 2 252.238 -1.923 20 0 CAADLO NC(=O)NCCCCC(=O)N[C@@H]1C[N@H+](CCF)C[C@@H]1O ZINC001219963352 780282741 /nfs/dbraw/zinc/28/27/41/780282741.db2.gz PGNFTHFXPNQVCI-ZJUUUORDSA-N 1 2 290.339 -1.044 20 0 CAADLO NC(=O)NCCCCC(=O)N[C@@H]1C[N@@H+](CCF)C[C@@H]1O ZINC001219963352 780282749 /nfs/dbraw/zinc/28/27/49/780282749.db2.gz PGNFTHFXPNQVCI-ZJUUUORDSA-N 1 2 290.339 -1.044 20 0 CAADLO Cn1c(=O)[nH]c(=O)c(N=O)c1NC(=O)[C@@H]1COCC[NH2+]1 ZINC001219984450 780288244 /nfs/dbraw/zinc/28/82/44/780288244.db2.gz KPJPKEHJAUGWOH-YFKPBYRVSA-N 1 2 283.244 -1.189 20 0 CAADLO COCC(C)(C)C(=O)N[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@@H]1O ZINC001220006255 780289113 /nfs/dbraw/zinc/28/91/13/780289113.db2.gz SJJZMPOQAQADES-MXWKQRLJSA-N 1 2 299.371 -1.291 20 0 CAADLO COCC(C)(C)C(=O)N[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@@H]1O ZINC001220006255 780289120 /nfs/dbraw/zinc/28/91/20/780289120.db2.gz SJJZMPOQAQADES-MXWKQRLJSA-N 1 2 299.371 -1.291 20 0 CAADLO CNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)C2(COC)CC2)[C@@H](O)C1 ZINC001220005750 780289210 /nfs/dbraw/zinc/28/92/10/780289210.db2.gz GWKHQJQQINOHCD-AXFHLTTASA-N 1 2 299.371 -1.291 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)C2(COC)CC2)[C@@H](O)C1 ZINC001220005750 780289215 /nfs/dbraw/zinc/28/92/15/780289215.db2.gz GWKHQJQQINOHCD-AXFHLTTASA-N 1 2 299.371 -1.291 20 0 CAADLO CN1C[C@@H](NC(=O)[C@@H]([NH3+])Cc2nn[nH]n2)CCC1=O ZINC001220005363 780289227 /nfs/dbraw/zinc/28/92/27/780289227.db2.gz YILZBQXWVUQBIR-BQBZGAKWSA-N 1 2 267.293 -2.194 20 0 CAADLO C[C@@H](O)[C@H]1C(=O)N[C@@H]1[C@H](C)C(=O)NC1C[NH+](C)C1 ZINC001220012740 780291603 /nfs/dbraw/zinc/29/16/03/780291603.db2.gz BGAGDUHVKYVZKR-MVHNUAHISA-N 1 2 255.318 -1.452 20 0 CAADLO [NH3+]C[C@@H]([NH3+])c1ccc(C(=O)N[C@@H]2CO[N-]C2=O)cc1 ZINC001220027699 780293470 /nfs/dbraw/zinc/29/34/70/780293470.db2.gz BAIPHJOOBJIEJW-NXEZZACHSA-N 1 2 264.285 -1.195 20 0 CAADLO COC(=O)[C@@H]([NH3+])CC(=O)N[C@H]1CCC(=O)NC1=O ZINC001220028457 780293837 /nfs/dbraw/zinc/29/38/37/780293837.db2.gz TUKJARKOWPSSMB-WDSKDSINSA-N 1 2 257.246 -2.202 20 0 CAADLO [NH3+][C@@H](Cc1nn[nH]n1)C(=O)N[C@H]1CCC(=O)NC1=O ZINC001220028370 780293857 /nfs/dbraw/zinc/29/38/57/780293857.db2.gz QBLDZRZHPKGCPN-WHFBIAKZSA-N 1 2 267.249 -3.009 20 0 CAADLO Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N[C@@H]1CO[N-]C1=O ZINC001220028543 780294072 /nfs/dbraw/zinc/29/40/72/780294072.db2.gz WPEBUHFAYBEZOY-JGVFFNPUSA-N 1 2 253.262 -2.164 20 0 CAADLO [NH3+][C@@H](Cc1nn[nH]n1)C(=O)N[C@@H]1CCC(=O)NC1=O ZINC001220028369 780294482 /nfs/dbraw/zinc/29/44/82/780294482.db2.gz QBLDZRZHPKGCPN-CRCLSJGQSA-N 1 2 267.249 -3.009 20 0 CAADLO N[C@@H](C[NH+]1CCC([NH3+])CC1)C(=O)N[C@@H]1CO[N-]C1=O ZINC001220028171 780294640 /nfs/dbraw/zinc/29/46/40/780294640.db2.gz MSFWLXGTXGJDSA-DTWKUNHWSA-N 1 2 271.321 -2.717 20 0 CAADLO N[C@H](C[NH+]1CCC([NH3+])CC1)C(=O)N[C@@H]1CO[N-]C1=O ZINC001220028172 780294722 /nfs/dbraw/zinc/29/47/22/780294722.db2.gz MSFWLXGTXGJDSA-RKDXNWHRSA-N 1 2 271.321 -2.717 20 0 CAADLO COC(=O)[C@@H]([NH3+])CC(=O)N[C@@H]1CCC(=O)NC1=O ZINC001220028456 780294997 /nfs/dbraw/zinc/29/49/97/780294997.db2.gz TUKJARKOWPSSMB-NTSWFWBYSA-N 1 2 257.246 -2.202 20 0 CAADLO CCCCOC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])Cc1nn[nH]n1 ZINC001220049684 780297906 /nfs/dbraw/zinc/29/79/06/780297906.db2.gz OHHWYIIYBOFMBC-YUMQZZPRSA-N 1 2 284.320 -1.083 20 0 CAADLO CC(C)C[C@H](NC(=O)C[NH3+])C(=O)NCc1nn[nH]n1 ZINC001220073330 780299446 /nfs/dbraw/zinc/29/94/46/780299446.db2.gz BMCFRSJDGAVPTL-ZETCQYMHSA-N 1 2 269.309 -1.695 20 0 CAADLO CC(C)(C)OC[C@H]([NH3+])C(=O)NCC(=O)NCc1nn[nH]n1 ZINC001220074263 780300512 /nfs/dbraw/zinc/30/05/12/780300512.db2.gz SJWVQPIVXNDFKF-ZETCQYMHSA-N 1 2 299.335 -1.926 20 0 CAADLO [NH3+]CC(=O)N1CCC[C@H]1C(=O)NCc1nn[nH]n1 ZINC001220074001 780301605 /nfs/dbraw/zinc/30/16/05/780301605.db2.gz OMVNSOCWFRBKDT-LURJTMIESA-N 1 2 253.266 -2.234 20 0 CAADLO C[C@H]1[C@H](NC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])C(=O)N1S(=O)(=O)[O-] ZINC001220101505 780302387 /nfs/dbraw/zinc/30/23/87/780302387.db2.gz QMOPVCTXXCVGIV-AXMZGBSTSA-N 1 2 292.317 -2.949 20 0 CAADLO COC(=O)[C@H](CCC(=O)[O-])NC(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001220104963 780303930 /nfs/dbraw/zinc/30/39/30/780303930.db2.gz QILUIHWRCSOOJN-BDAKNGLRSA-N 1 2 298.299 -1.198 20 0 CAADLO COC(=O)[C@H](CCC(=O)[O-])NC(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+] ZINC001220104959 780303996 /nfs/dbraw/zinc/30/39/96/780303996.db2.gz QEUKMLOZHDJGER-FXQIFTODSA-N 1 2 273.289 -1.944 20 0 CAADLO [NH3+][C@@H](Cc1nn[nH]n1)C(=O)NCc1cccc(F)n1 ZINC001220125108 780307312 /nfs/dbraw/zinc/30/73/12/780307312.db2.gz YLAUJMOKCVGGOZ-ZETCQYMHSA-N 1 2 265.252 -1.080 20 0 CAADLO N=C(NC(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+])SCCS(=O)(=O)[O-] ZINC001220127296 780308199 /nfs/dbraw/zinc/30/81/99/780308199.db2.gz PEBNRWMPWOHNGU-WDSKDSINSA-N 1 2 296.374 -1.795 20 0 CAADLO [NH3+][C@@H](Cc1nn[nH]n1)C(=O)NCCOC(F)(F)F ZINC001220139053 780309163 /nfs/dbraw/zinc/30/91/63/780309163.db2.gz MERDDBQLJRQRBD-BYPYZUCNSA-N 1 2 268.199 -1.278 20 0 CAADLO CS(=O)(=O)[C@H]1C[C@H](NC(=O)[C@@H]([NH3+])Cc2nn[nH]n2)C1 ZINC001220139741 780309312 /nfs/dbraw/zinc/30/93/12/780309312.db2.gz WOLZPCGQODWEHZ-ACZMJKKPSA-N 1 2 288.333 -2.239 20 0 CAADLO C[C@@H](CC(N)=O)C(=O)N[C@@H]1C[N@H+](CCF)C[C@@H]1O ZINC001220137968 780309966 /nfs/dbraw/zinc/30/99/66/780309966.db2.gz NEOKJSQWFRNEGA-YIZRAAEISA-N 1 2 261.297 -1.371 20 0 CAADLO C[C@@H](CC(N)=O)C(=O)N[C@@H]1C[N@@H+](CCF)C[C@@H]1O ZINC001220137968 780309970 /nfs/dbraw/zinc/30/99/70/780309970.db2.gz NEOKJSQWFRNEGA-YIZRAAEISA-N 1 2 261.297 -1.371 20 0 CAADLO CO[C@@H]1COCC[C@H]1NC(=O)[C@@H]([NH3+])Cc1nn[nH]n1 ZINC001220141098 780310081 /nfs/dbraw/zinc/31/00/81/780310081.db2.gz GBVZHKVIDAGHMY-XLPZGREQSA-N 1 2 270.293 -2.010 20 0 CAADLO CS(=O)(=O)N1CC(NC(=O)[C@@H]([NH3+])Cc2nn[nH]n2)C1 ZINC001220145922 780311946 /nfs/dbraw/zinc/31/19/46/780311946.db2.gz WKMKQJIYEWDLCN-LURJTMIESA-N 1 2 289.321 -3.171 20 0 CAADLO [NH3+][C@@H](Cc1nn[nH]n1)C(=O)NCc1cc[nH]c(=O)c1 ZINC001220148093 780312057 /nfs/dbraw/zinc/31/20/57/780312057.db2.gz OPVXMMVZRHEFAQ-ZETCQYMHSA-N 1 2 263.261 -1.514 20 0 CAADLO COC(=O)[C@@H]([NH3+])CC(=O)NC1CC(CO)(CO)C1 ZINC001220152068 780312441 /nfs/dbraw/zinc/31/24/41/780312441.db2.gz SIWWWEOLGLQAKJ-QMMMGPOBSA-N 1 2 260.290 -1.874 20 0 CAADLO CN(C)C(=O)C[N@H+]1C[C@@H](NC(=O)CCCF)[C@@H](O)C1 ZINC001220156495 780314453 /nfs/dbraw/zinc/31/44/53/780314453.db2.gz XTHHCLLBZPCTDS-ZJUUUORDSA-N 1 2 275.324 -1.014 20 0 CAADLO CN(C)C(=O)C[N@@H+]1C[C@@H](NC(=O)CCCF)[C@@H](O)C1 ZINC001220156495 780314457 /nfs/dbraw/zinc/31/44/57/780314457.db2.gz XTHHCLLBZPCTDS-ZJUUUORDSA-N 1 2 275.324 -1.014 20 0 CAADLO O=C(CCCF)N[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@@H]1O ZINC001220154807 780314779 /nfs/dbraw/zinc/31/47/79/780314779.db2.gz MZWJMNDHGXHLPT-BBBLOLIVSA-N 1 2 273.308 -1.214 20 0 CAADLO O=C(CCCF)N[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@@H]1O ZINC001220154807 780314786 /nfs/dbraw/zinc/31/47/86/780314786.db2.gz MZWJMNDHGXHLPT-BBBLOLIVSA-N 1 2 273.308 -1.214 20 0 CAADLO COC(=O)[C@@H]([NH3+])CC(=O)N[C@H]1COCCC12OCCO2 ZINC001220173567 780315697 /nfs/dbraw/zinc/31/56/97/780315697.db2.gz PTGZLYXFYSJVIB-IUCAKERBSA-N 1 2 288.300 -1.475 20 0 CAADLO N=C(NC(=O)[C@@H]([NH3+])Cc1nn[nH]n1)c1ccc(F)cn1 ZINC001220170884 780315963 /nfs/dbraw/zinc/31/59/63/780315963.db2.gz XPZZYFHEDKFYHX-LURJTMIESA-N 1 2 278.251 -1.255 20 0 CAADLO Cc1ncc(CNC(=O)[C@@H]([NH3+])Cc2nn[nH]n2)cn1 ZINC001220177652 780317148 /nfs/dbraw/zinc/31/71/48/780317148.db2.gz SKLJHGNDNOWIOJ-QMMMGPOBSA-N 1 2 262.277 -1.516 20 0 CAADLO [NH3+][C@@H](Cc1nn[nH]n1)C(=O)N[C@H]1COCC[C@@H]1O ZINC001220181674 780317301 /nfs/dbraw/zinc/31/73/01/780317301.db2.gz YCBIHDVDGVJCLN-ACZMJKKPSA-N 1 2 256.266 -2.665 20 0 CAADLO Cn1ccc(CNC(=O)[C@@H]([NH3+])Cc2nn[nH]n2)cc1=O ZINC001220179903 780317470 /nfs/dbraw/zinc/31/74/70/780317470.db2.gz VLBIWMYYJHPMEP-QMMMGPOBSA-N 1 2 277.288 -1.915 20 0 CAADLO CC1(C)C[C@H](CNC(=O)[C@@H]([NH3+])Cc2nn[nH]n2)O1 ZINC001220200805 780318859 /nfs/dbraw/zinc/31/88/59/780318859.db2.gz VPNMGRCLHYFVKP-RQJHMYQMSA-N 1 2 254.294 -1.247 20 0 CAADLO O=C(NCC1([NH+]2CCCC2)COC1)[C@@H]1CNC(=O)N1 ZINC001220197509 780319322 /nfs/dbraw/zinc/31/93/22/780319322.db2.gz HJVZXSADSLNSKU-VIFPVBQESA-N 1 2 268.317 -1.351 20 0 CAADLO CCOC(=O)CC1(NC(=O)C[C@H]([NH3+])C(=O)OC)COC1 ZINC001220215077 780320410 /nfs/dbraw/zinc/32/04/10/780320410.db2.gz LOSWENLGCATLLI-QMMMGPOBSA-N 1 2 288.300 -1.285 20 0 CAADLO CCOC(=O)CC1(NC(=O)[C@@H]([NH3+])Cc2nn[nH]n2)COC1 ZINC001220215408 780322384 /nfs/dbraw/zinc/32/23/84/780322384.db2.gz VXWYSNVZIURBKN-ZETCQYMHSA-N 1 2 298.303 -2.092 20 0 CAADLO COC(=O)[C@@H]([NH3+])CC(=O)NC[C@@H]1CC(=O)N(C)C1 ZINC001220245334 780325251 /nfs/dbraw/zinc/32/52/51/780325251.db2.gz OJOPVLPDJHRFQY-YUMQZZPRSA-N 1 2 257.290 -1.529 20 0 CAADLO NC(=O)C1(C(=O)N[C@@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@@H]2O)CC1 ZINC001220245524 780325450 /nfs/dbraw/zinc/32/54/50/780325450.db2.gz FHFVFGRMUNQXGD-HLTSFMKQSA-N 1 2 296.327 -2.698 20 0 CAADLO NC(=O)C1(C(=O)N[C@@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@@H]2O)CC1 ZINC001220245524 780325453 /nfs/dbraw/zinc/32/54/53/780325453.db2.gz FHFVFGRMUNQXGD-HLTSFMKQSA-N 1 2 296.327 -2.698 20 0 CAADLO CN(C)C(=O)C[N@H+]1C[C@@H](NC(=O)C2(C(N)=O)CC2)[C@@H](O)C1 ZINC001220246597 780326983 /nfs/dbraw/zinc/32/69/83/780326983.db2.gz YYJOFTYTWZWBHM-BDAKNGLRSA-N 1 2 298.343 -2.499 20 0 CAADLO CN(C)C(=O)C[N@@H+]1C[C@@H](NC(=O)C2(C(N)=O)CC2)[C@@H](O)C1 ZINC001220246597 780326984 /nfs/dbraw/zinc/32/69/84/780326984.db2.gz YYJOFTYTWZWBHM-BDAKNGLRSA-N 1 2 298.343 -2.499 20 0 CAADLO COC(=O)[C@@H]([NH3+])CC(=O)NCCS(=O)(=O)N(C)C ZINC001220268664 780328024 /nfs/dbraw/zinc/32/80/24/780328024.db2.gz NWYCUVSSIJMUTN-ZETCQYMHSA-N 1 2 281.334 -2.116 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)C2(C(N)=O)CC2)[C@@H](O)C1 ZINC001220258006 780328657 /nfs/dbraw/zinc/32/86/57/780328657.db2.gz ZNFDTWKLFFRLFT-HLTSFMKQSA-N 1 2 298.343 -2.452 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)C2(C(N)=O)CC2)[C@@H](O)C1 ZINC001220258006 780328668 /nfs/dbraw/zinc/32/86/68/780328668.db2.gz ZNFDTWKLFFRLFT-HLTSFMKQSA-N 1 2 298.343 -2.452 20 0 CAADLO COCCC[N@H+]1C[C@@H](NC(=O)C2=NC(=O)N(C)C2)[C@@H](O)C1 ZINC001220275147 780329279 /nfs/dbraw/zinc/32/92/79/780329279.db2.gz QCPASLALWUSVAI-KOLCDFICSA-N 1 2 298.343 -1.063 20 0 CAADLO COCCC[N@@H+]1C[C@@H](NC(=O)C2=NC(=O)N(C)C2)[C@@H](O)C1 ZINC001220275147 780329282 /nfs/dbraw/zinc/32/92/82/780329282.db2.gz QCPASLALWUSVAI-KOLCDFICSA-N 1 2 298.343 -1.063 20 0 CAADLO COC(=O)[C@@H]([NH3+])CC(=O)NCCc1cnn(C)c1 ZINC001220276988 780329580 /nfs/dbraw/zinc/32/95/80/780329580.db2.gz WGZBTHVRSCLVJR-VIFPVBQESA-N 1 2 254.290 -1.031 20 0 CAADLO COCCn1c[nH+]cc1CNC(=O)[C@@H]1CNC(=O)N1 ZINC001220274477 780330709 /nfs/dbraw/zinc/33/07/09/780330709.db2.gz DNSGEGPLHHJWPA-VIFPVBQESA-N 1 2 267.289 -1.173 20 0 CAADLO CN(C)C(=O)C[N@H+]1C[C@@H](NC(=O)C2(CF)CC2)[C@@H](O)C1 ZINC001220336339 780339406 /nfs/dbraw/zinc/33/94/06/780339406.db2.gz QPBJVZUYOWBIMG-ZJUUUORDSA-N 1 2 287.335 -1.014 20 0 CAADLO CN(C)C(=O)C[N@@H+]1C[C@@H](NC(=O)C2(CF)CC2)[C@@H](O)C1 ZINC001220336339 780339410 /nfs/dbraw/zinc/33/94/10/780339410.db2.gz QPBJVZUYOWBIMG-ZJUUUORDSA-N 1 2 287.335 -1.014 20 0 CAADLO [NH3+]CC[C@H]([NH3+])C(=O)NCCCC[P@@](=O)([O-])O ZINC001220375292 780341437 /nfs/dbraw/zinc/34/14/37/780341437.db2.gz MGVGHFXOXAHAGD-ZETCQYMHSA-N 1 2 253.239 -1.263 20 0 CAADLO [NH3+]CC[C@H]([NH3+])C(=O)NCCCC[P@](=O)([O-])O ZINC001220375292 780341444 /nfs/dbraw/zinc/34/14/44/780341444.db2.gz MGVGHFXOXAHAGD-ZETCQYMHSA-N 1 2 253.239 -1.263 20 0 CAADLO Cn1ncc(CCC(=O)N[C@@H]2C[N@H+](CCF)C[C@@H]2O)n1 ZINC001220373840 780341724 /nfs/dbraw/zinc/34/17/24/780341724.db2.gz DJWIZMNTDXFMEF-MNOVXSKESA-N 1 2 285.323 -1.122 20 0 CAADLO Cn1ncc(CCC(=O)N[C@@H]2C[N@@H+](CCF)C[C@@H]2O)n1 ZINC001220373840 780341726 /nfs/dbraw/zinc/34/17/26/780341726.db2.gz DJWIZMNTDXFMEF-MNOVXSKESA-N 1 2 285.323 -1.122 20 0 CAADLO C[C@@H](O)C[N@H+]1C[C@@H](NC(=O)CCc2cnn[nH]2)[C@@H](O)C1 ZINC001220389566 780342724 /nfs/dbraw/zinc/34/27/24/780342724.db2.gz PTDSOFMPDOSVDX-IEBDPFPHSA-N 1 2 283.332 -1.721 20 0 CAADLO C[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)CCc2cnn[nH]2)[C@@H](O)C1 ZINC001220389566 780342728 /nfs/dbraw/zinc/34/27/28/780342728.db2.gz PTDSOFMPDOSVDX-IEBDPFPHSA-N 1 2 283.332 -1.721 20 0 CAADLO CN1CCOC[C@@H]1CNC(=O)[C@@H]([NH3+])Cc1nn[nH]n1 ZINC001220381987 780342921 /nfs/dbraw/zinc/34/29/21/780342921.db2.gz OSXKWTAWEKEKQJ-YUMQZZPRSA-N 1 2 269.309 -2.484 20 0 CAADLO COCC[N@H+]1C[C@@H](NC(=O)CCc2cnn[nH]2)[C@@H](O)C1 ZINC001220389439 780342968 /nfs/dbraw/zinc/34/29/68/780342968.db2.gz JYBXPWMLYWBDRH-MNOVXSKESA-N 1 2 283.332 -1.455 20 0 CAADLO COCC[N@@H+]1C[C@@H](NC(=O)CCc2cnn[nH]2)[C@@H](O)C1 ZINC001220389439 780342973 /nfs/dbraw/zinc/34/29/73/780342973.db2.gz JYBXPWMLYWBDRH-MNOVXSKESA-N 1 2 283.332 -1.455 20 0 CAADLO CO[C@H](C)C[N@H+]1C[C@@H](NC(=O)CCc2cnn[nH]2)[C@@H](O)C1 ZINC001220389573 780343618 /nfs/dbraw/zinc/34/36/18/780343618.db2.gz QCWQDZKZDHMJGI-JLLWLGSASA-N 1 2 297.359 -1.067 20 0 CAADLO CO[C@H](C)C[N@@H+]1C[C@@H](NC(=O)CCc2cnn[nH]2)[C@@H](O)C1 ZINC001220389573 780343623 /nfs/dbraw/zinc/34/36/23/780343623.db2.gz QCWQDZKZDHMJGI-JLLWLGSASA-N 1 2 297.359 -1.067 20 0 CAADLO CC[N@H+]1C[C@@H](NC(=O)CCc2cnn[nH]2)[C@@H](O)C1 ZINC001220391909 780344854 /nfs/dbraw/zinc/34/48/54/780344854.db2.gz ULDFRFCUDKMILH-ZJUUUORDSA-N 1 2 253.306 -1.082 20 0 CAADLO CC[N@@H+]1C[C@@H](NC(=O)CCc2cnn[nH]2)[C@@H](O)C1 ZINC001220391909 780344861 /nfs/dbraw/zinc/34/48/61/780344861.db2.gz ULDFRFCUDKMILH-ZJUUUORDSA-N 1 2 253.306 -1.082 20 0 CAADLO O=C(CCc1cnn[nH]1)N[C@@H]1C[N@H+](CCCO)C[C@@H]1O ZINC001220391600 780344973 /nfs/dbraw/zinc/34/49/73/780344973.db2.gz LFZKMIBJZKBEBO-MNOVXSKESA-N 1 2 283.332 -1.719 20 0 CAADLO O=C(CCc1cnn[nH]1)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001220391600 780344979 /nfs/dbraw/zinc/34/49/79/780344979.db2.gz LFZKMIBJZKBEBO-MNOVXSKESA-N 1 2 283.332 -1.719 20 0 CAADLO COC[C@H](C)[N@H+]1C[C@@H](NC(=O)CCc2cnn[nH]2)[C@@H](O)C1 ZINC001220391396 780345316 /nfs/dbraw/zinc/34/53/16/780345316.db2.gz HVJXRMVXQKGTLK-WCQGTBRESA-N 1 2 297.359 -1.067 20 0 CAADLO COC[C@H](C)[N@@H+]1C[C@@H](NC(=O)CCc2cnn[nH]2)[C@@H](O)C1 ZINC001220391396 780345321 /nfs/dbraw/zinc/34/53/21/780345321.db2.gz HVJXRMVXQKGTLK-WCQGTBRESA-N 1 2 297.359 -1.067 20 0 CAADLO COC(=O)[C@H]1CC[C@H](NC(=O)[C@@H]([NH3+])Cc2nn[nH]n2)C1 ZINC001220405926 780346930 /nfs/dbraw/zinc/34/69/30/780346930.db2.gz GRVNETOJXGVMNG-FXQIFTODSA-N 1 2 282.304 -1.473 20 0 CAADLO COC(=O)[C@@H]([NH3+])CC(=O)N[C@H](CO)C(F)(F)F ZINC001220447930 780349574 /nfs/dbraw/zinc/34/95/74/780349574.db2.gz RVGUFOXMOXMTQV-CRCLSJGQSA-N 1 2 258.196 -1.084 20 0 CAADLO CC(C)[C@H](NC(=O)[C@@H]1COCC[NH2+]1)C(=O)N1CCOCC1 ZINC001220453667 780350051 /nfs/dbraw/zinc/35/00/51/780350051.db2.gz ILDGRIOOWBUMOA-RYUDHWBXSA-N 1 2 299.371 -1.026 20 0 CAADLO [NH3+][C@@H](Cc1nn[nH]n1)C(=O)N[C@H](CO)C(F)(F)F ZINC001220447922 780350064 /nfs/dbraw/zinc/35/00/64/780350064.db2.gz RREIAFPBHXPYKN-IUYQGCFVSA-N 1 2 268.199 -1.891 20 0 CAADLO [NH3+][C@@H](Cc1nn[nH]n1)C(=O)NCC(=O)Cc1ccccc1 ZINC001220462536 780351320 /nfs/dbraw/zinc/35/13/20/780351320.db2.gz FJVHBITXERRBJQ-NSHDSACASA-N 1 2 288.311 -1.003 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)CC(=O)N(C)C)[C@@H](O)C1 ZINC001220508343 780357385 /nfs/dbraw/zinc/35/73/85/780357385.db2.gz IGEOWFVFWQXEBG-HLTSFMKQSA-N 1 2 286.332 -2.500 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)CC(=O)N(C)C)[C@@H](O)C1 ZINC001220508343 780357394 /nfs/dbraw/zinc/35/73/94/780357394.db2.gz IGEOWFVFWQXEBG-HLTSFMKQSA-N 1 2 286.332 -2.500 20 0 CAADLO C[C@@H]([NH3+])C(=O)NCCC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)[O-] ZINC001220551078 780363838 /nfs/dbraw/zinc/36/38/38/780363838.db2.gz PNDANIPUZKMATJ-APPZFPTMSA-N 1 2 297.315 -1.625 20 0 CAADLO C[C@@H]([NH3+])C(=O)NCCC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)[O-] ZINC001220551078 780363839 /nfs/dbraw/zinc/36/38/39/780363839.db2.gz PNDANIPUZKMATJ-APPZFPTMSA-N 1 2 297.315 -1.625 20 0 CAADLO COC(=O)[C@@H](NC(=O)[C@@H]([NH3+])Cc1nn[nH]n1)C(F)(F)F ZINC001220587383 780368734 /nfs/dbraw/zinc/36/87/34/780368734.db2.gz CJZGKADEDJNTSX-WVZVXSGGSA-N 1 2 296.209 -1.710 20 0 CAADLO [NH3+][C@@H](Cc1nn[nH]n1)C(=O)N[C@H]1NC(=O)c2ccccc21 ZINC001220620226 780370988 /nfs/dbraw/zinc/37/09/88/780370988.db2.gz QMTGLMICZCITGC-WCBMZHEXSA-N 1 2 287.283 -1.372 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)CCn2cnnn2)[C@@H](O)C1 ZINC001220603206 780371533 /nfs/dbraw/zinc/37/15/33/780371533.db2.gz CZWDEDIAMALNBE-YIZRAAEISA-N 1 2 297.319 -2.902 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)CCn2cnnn2)[C@@H](O)C1 ZINC001220603206 780371539 /nfs/dbraw/zinc/37/15/39/780371539.db2.gz CZWDEDIAMALNBE-YIZRAAEISA-N 1 2 297.319 -2.902 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)CCn2cccc2)[C@@H](O)C1 ZINC001220612140 780372784 /nfs/dbraw/zinc/37/27/84/780372784.db2.gz LPSOIQFJEWSQRE-TUAOUCFPSA-N 1 2 294.355 -1.087 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)CCn2cccc2)[C@@H](O)C1 ZINC001220612140 780372795 /nfs/dbraw/zinc/37/27/95/780372795.db2.gz LPSOIQFJEWSQRE-TUAOUCFPSA-N 1 2 294.355 -1.087 20 0 CAADLO O=C(CCn1cnccc1=O)N[C@@H]1C[N@@H+](CCF)C[C@@H]1O ZINC001220653915 780375041 /nfs/dbraw/zinc/37/50/41/780375041.db2.gz YFBHUSZUSHEDMQ-MNOVXSKESA-N 1 2 298.318 -1.236 20 0 CAADLO O=C(CCn1cnccc1=O)N[C@@H]1C[N@H+](CCF)C[C@@H]1O ZINC001220653915 780375050 /nfs/dbraw/zinc/37/50/50/780375050.db2.gz YFBHUSZUSHEDMQ-MNOVXSKESA-N 1 2 298.318 -1.236 20 0 CAADLO COC(=O)[C@@H]([NH3+])CC(=O)NC[C@@H](C)CNC(C)=O ZINC001220756838 780379281 /nfs/dbraw/zinc/37/92/81/780379281.db2.gz LMVSTWVPNKLPBT-CBAPKCEASA-N 1 2 259.306 -1.235 20 0 CAADLO CC1(C)[C@H](O)C[C@@H]1NC(=O)[C@@H]([NH3+])Cc1nn[nH]n1 ZINC001220766478 780379607 /nfs/dbraw/zinc/37/96/07/780379607.db2.gz SZHVHWFTUULZFQ-LYFYHCNISA-N 1 2 254.294 -1.655 20 0 CAADLO COC(=O)[C@H](Cc1c[nH+]cn1C)NC(=O)[C@@H]1CNC(=O)N1 ZINC001220770187 780380810 /nfs/dbraw/zinc/38/08/10/780380810.db2.gz VKRUVVVEYVFLLV-IUCAKERBSA-N 1 2 295.299 -1.698 20 0 CAADLO Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)NCC(=O)CCC(=O)[O-] ZINC001220848702 780386075 /nfs/dbraw/zinc/38/60/75/780386075.db2.gz GMDZAZNGILCIBT-JTQLQIEISA-N 1 2 282.300 -1.160 20 0 CAADLO CCOC(=O)[C@H](C)CNC(=O)[C@@H]([NH3+])Cc1nn[nH]n1 ZINC001220848858 780387066 /nfs/dbraw/zinc/38/70/66/780387066.db2.gz KSHPEERZCPWXRO-RQJHMYQMSA-N 1 2 270.293 -1.615 20 0 CAADLO CC(=O)OC[C@H]([NH3+])C(=O)NCCN1CC[NH2+]CC1=O ZINC001220871919 780387773 /nfs/dbraw/zinc/38/77/73/780387773.db2.gz CSPAGEQWIWJFQZ-VIFPVBQESA-N 1 2 272.305 -2.575 20 0 CAADLO COc1cncc(CNC(=O)[C@@H]([NH3+])Cc2nn[nH]n2)c1 ZINC001220870042 780388453 /nfs/dbraw/zinc/38/84/53/780388453.db2.gz FWACHTXCDXBGQP-VIFPVBQESA-N 1 2 277.288 -1.211 20 0 CAADLO CC[N@H+]1C[C@@H](NC(=O)[C@@H](C)CS(C)(=O)=O)[C@@H](O)C1 ZINC001221101992 780403949 /nfs/dbraw/zinc/40/39/49/780403949.db2.gz DVEMXFDAFVDPBM-AEJSXWLSSA-N 1 2 278.374 -1.152 20 0 CAADLO CC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)CS(C)(=O)=O)[C@@H](O)C1 ZINC001221101992 780403958 /nfs/dbraw/zinc/40/39/58/780403958.db2.gz DVEMXFDAFVDPBM-AEJSXWLSSA-N 1 2 278.374 -1.152 20 0 CAADLO COC(=O)[C@@H]1C[C@@H]1CNC(=O)[C@@H]([NH3+])Cc1nn[nH]n1 ZINC001220882026 780392207 /nfs/dbraw/zinc/39/22/07/780392207.db2.gz RDJGJZQBYHGVSB-QYNIQEEDSA-N 1 2 268.277 -2.005 20 0 CAADLO COC(=O)[C@H]1C[C@H]1CNC(=O)[C@@H]([NH3+])Cc1nn[nH]n1 ZINC001220882021 780393193 /nfs/dbraw/zinc/39/31/93/780393193.db2.gz RDJGJZQBYHGVSB-ACZMJKKPSA-N 1 2 268.277 -2.005 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)CCNC(N)=O)[C@@H](O)C1 ZINC001220935423 780395680 /nfs/dbraw/zinc/39/56/80/780395680.db2.gz FRFVYZXCTGSYJY-PRJMDXOYSA-N 1 2 287.320 -2.920 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)CCNC(N)=O)[C@@H](O)C1 ZINC001220935423 780395693 /nfs/dbraw/zinc/39/56/93/780395693.db2.gz FRFVYZXCTGSYJY-PRJMDXOYSA-N 1 2 287.320 -2.920 20 0 CAADLO NC(=O)NCCC(=O)N[C@@H]1C[N@H+](C/C=C\Cl)C[C@@H]1O ZINC001220935446 780396238 /nfs/dbraw/zinc/39/62/38/780396238.db2.gz GXPGUXUSVUKNLL-LGSOUNPISA-N 1 2 290.751 -1.041 20 0 CAADLO NC(=O)NCCC(=O)N[C@@H]1C[N@@H+](C/C=C\Cl)C[C@@H]1O ZINC001220935446 780396248 /nfs/dbraw/zinc/39/62/48/780396248.db2.gz GXPGUXUSVUKNLL-LGSOUNPISA-N 1 2 290.751 -1.041 20 0 CAADLO NC(=O)NCCC(=O)N[C@@H]1C[N@H+](C/C=C/Cl)C[C@@H]1O ZINC001220935447 780397145 /nfs/dbraw/zinc/39/71/45/780397145.db2.gz GXPGUXUSVUKNLL-XKAWMOSTSA-N 1 2 290.751 -1.041 20 0 CAADLO NC(=O)NCCC(=O)N[C@@H]1C[N@@H+](C/C=C/Cl)C[C@@H]1O ZINC001220935447 780397155 /nfs/dbraw/zinc/39/71/55/780397155.db2.gz GXPGUXUSVUKNLL-XKAWMOSTSA-N 1 2 290.751 -1.041 20 0 CAADLO NC(=O)NCCC(=O)N[C@@H]1C[N@H+](CCF)C[C@@H]1O ZINC001220937830 780399245 /nfs/dbraw/zinc/39/92/45/780399245.db2.gz BZYHOULNXXFQRW-SFYZADRCSA-N 1 2 262.285 -1.824 20 0 CAADLO NC(=O)NCCC(=O)N[C@@H]1C[N@@H+](CCF)C[C@@H]1O ZINC001220937830 780399256 /nfs/dbraw/zinc/39/92/56/780399256.db2.gz BZYHOULNXXFQRW-SFYZADRCSA-N 1 2 262.285 -1.824 20 0 CAADLO NC(=O)NCCC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@@H]1O ZINC001220938491 780399480 /nfs/dbraw/zinc/39/94/80/780399480.db2.gz WGLAWNRWUMCABH-HLTSFMKQSA-N 1 2 299.331 -2.905 20 0 CAADLO NC(=O)NCCC(=O)N[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@@H]1O ZINC001220938491 780399488 /nfs/dbraw/zinc/39/94/88/780399488.db2.gz WGLAWNRWUMCABH-HLTSFMKQSA-N 1 2 299.331 -2.905 20 0 CAADLO [NH3+][C@@H](Cc1nn[nH]n1)C(=O)NCC1(c2cnccn2)CC1 ZINC001220992090 780400090 /nfs/dbraw/zinc/40/00/90/780400090.db2.gz DHBZNKJCVGYUHV-QMMMGPOBSA-N 1 2 288.315 -1.293 20 0 CAADLO C[C@@H]1C[C@@H](NC(=O)[C@@H]([NH3+])Cc2nn[nH]n2)CCO1 ZINC001221008278 780402028 /nfs/dbraw/zinc/40/20/28/780402028.db2.gz PXIVWNNRCVVUAG-CSMHCCOUSA-N 1 2 254.294 -1.247 20 0 CAADLO [NH3+][C@@H](Cc1nn[nH]n1)C(=O)NC1(c2cnccn2)CC1 ZINC001221082534 780403362 /nfs/dbraw/zinc/40/33/62/780403362.db2.gz XQUXFLZPFOJMFC-ZETCQYMHSA-N 1 2 274.288 -1.335 20 0 CAADLO COC(=O)c1ccc(CNC(=O)[C@@H]([NH3+])Cc2nn[nH]n2)[nH]1 ZINC001221079483 780403395 /nfs/dbraw/zinc/40/33/95/780403395.db2.gz BNWPHJBPHGVJDW-ZETCQYMHSA-N 1 2 293.287 -1.499 20 0 CAADLO Nc1c2c(=O)nccc-2[n-]n1C(=O)[C@@H]([NH3+])CC[NH3+] ZINC001221236433 780407269 /nfs/dbraw/zinc/40/72/69/780407269.db2.gz FZWJDLBESIQGKS-YFKPBYRVSA-N 1 2 250.262 -1.425 20 0 CAADLO COCCC(=O)N1C[C@H]2CC[N@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001221216473 780407280 /nfs/dbraw/zinc/40/72/80/780407280.db2.gz YDRVDAABSQGVPB-NXEZZACHSA-N 1 2 298.343 -1.250 20 0 CAADLO COCCC(=O)N1C[C@H]2CC[N@@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001221216473 780407282 /nfs/dbraw/zinc/40/72/82/780407282.db2.gz YDRVDAABSQGVPB-NXEZZACHSA-N 1 2 298.343 -1.250 20 0 CAADLO [NH3+][C@@H](Cc1nn[nH]n1)C(=O)N[C@@H]1CCOC[C@@H]1F ZINC001221243378 780408217 /nfs/dbraw/zinc/40/82/17/780408217.db2.gz IBNIRTIYJYUGPP-LYFYHCNISA-N 1 2 258.257 -1.687 20 0 CAADLO CC(=O)N[C@@H](C)C(=O)N1C[C@H]2CC[N@H+](CC(N)=O)C[C@H]21 ZINC001221243881 780408342 /nfs/dbraw/zinc/40/83/42/780408342.db2.gz ULAOYNMWOPMCQO-JMJZKYOTSA-N 1 2 282.344 -1.471 20 0 CAADLO CC(=O)N[C@@H](C)C(=O)N1C[C@H]2CC[N@@H+](CC(N)=O)C[C@H]21 ZINC001221243881 780408345 /nfs/dbraw/zinc/40/83/45/780408345.db2.gz ULAOYNMWOPMCQO-JMJZKYOTSA-N 1 2 282.344 -1.471 20 0 CAADLO COC(=O)[C@@H]([NH3+])CC(=O)Nc1ncc(C)[nH]c1=O ZINC001221329539 780414372 /nfs/dbraw/zinc/41/43/72/780414372.db2.gz RIPMGRVVURNCJM-LURJTMIESA-N 1 2 254.246 -1.093 20 0 CAADLO CC(=O)OC[C@H]([NH3+])C(=O)n1cc(N)c(=O)nc1N ZINC001221330206 780414763 /nfs/dbraw/zinc/41/47/63/780414763.db2.gz NJRQCJXISRKFHA-LURJTMIESA-N 1 2 255.234 -1.819 20 0 CAADLO COc1cnccc1CCNC(=O)[C@@H]([NH3+])Cc1nn[nH]n1 ZINC001221335495 780416182 /nfs/dbraw/zinc/41/61/82/780416182.db2.gz HEKSSVVCSMKRPB-VIFPVBQESA-N 1 2 291.315 -1.168 20 0 CAADLO [NH3+][C@@H](Cc1nn[nH]n1)C(=O)NC[C@@H]1CNC(=O)O1 ZINC001221371479 780419236 /nfs/dbraw/zinc/41/92/36/780419236.db2.gz YKPBEEIZQSXJRI-UHNVWZDZSA-N 1 2 255.238 -2.706 20 0 CAADLO CCC(=O)N[C@H](C)C(=O)N1C[C@H]2CC[N@H+](CC(N)=O)C[C@H]21 ZINC001221565832 780421669 /nfs/dbraw/zinc/42/16/69/780421669.db2.gz NJMKQDAFARWAGX-GMTAPVOTSA-N 1 2 296.371 -1.081 20 0 CAADLO CCC(=O)N[C@H](C)C(=O)N1C[C@H]2CC[N@@H+](CC(N)=O)C[C@H]21 ZINC001221565832 780421672 /nfs/dbraw/zinc/42/16/72/780421672.db2.gz NJMKQDAFARWAGX-GMTAPVOTSA-N 1 2 296.371 -1.081 20 0 CAADLO COCCOCC(=O)N1C[C@H]2CC[N@H+](CC(N)=O)C[C@H]21 ZINC001221449953 780421717 /nfs/dbraw/zinc/42/17/17/780421717.db2.gz DCRWBMFDBPZWMM-GHMZBOCLSA-N 1 2 285.344 -1.333 20 0 CAADLO COCCOCC(=O)N1C[C@H]2CC[N@@H+](CC(N)=O)C[C@H]21 ZINC001221449953 780421722 /nfs/dbraw/zinc/42/17/22/780421722.db2.gz DCRWBMFDBPZWMM-GHMZBOCLSA-N 1 2 285.344 -1.333 20 0 CAADLO NC(=O)CC(=O)N1C[C@H]2CC[N@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001221455991 780421846 /nfs/dbraw/zinc/42/18/46/780421846.db2.gz BJWJTERTYNENLA-HTQZYQBOSA-N 1 2 297.315 -2.411 20 0 CAADLO NC(=O)CC(=O)N1C[C@H]2CC[N@@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001221455991 780421847 /nfs/dbraw/zinc/42/18/47/780421847.db2.gz BJWJTERTYNENLA-HTQZYQBOSA-N 1 2 297.315 -2.411 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)COCCOC)[C@@H]2C1 ZINC001221449065 780421905 /nfs/dbraw/zinc/42/19/05/780421905.db2.gz VSSPUQIWHDZSRK-VXGBXAGGSA-N 1 2 299.371 -1.072 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)COCCOC)[C@@H]2C1 ZINC001221449065 780421907 /nfs/dbraw/zinc/42/19/07/780421907.db2.gz VSSPUQIWHDZSRK-VXGBXAGGSA-N 1 2 299.371 -1.072 20 0 CAADLO CCNC(=O)CCC(=O)N1C[C@H]2CC[N@H+](CC(N)=O)C[C@H]21 ZINC001221438670 780422157 /nfs/dbraw/zinc/42/21/57/780422157.db2.gz XEDFOGBBLCKAAU-GHMZBOCLSA-N 1 2 296.371 -1.079 20 0 CAADLO CCNC(=O)CCC(=O)N1C[C@H]2CC[N@@H+](CC(N)=O)C[C@H]21 ZINC001221438670 780422158 /nfs/dbraw/zinc/42/21/58/780422158.db2.gz XEDFOGBBLCKAAU-GHMZBOCLSA-N 1 2 296.371 -1.079 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C)CC(N)=O)[C@@H]2C1 ZINC001221731646 780422974 /nfs/dbraw/zinc/42/29/74/780422974.db2.gz MWXNRCYMVXOQSE-GMTAPVOTSA-N 1 2 296.371 -1.223 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C)CC(N)=O)[C@@H]2C1 ZINC001221731646 780422978 /nfs/dbraw/zinc/42/29/78/780422978.db2.gz MWXNRCYMVXOQSE-GMTAPVOTSA-N 1 2 296.371 -1.223 20 0 CAADLO CCN(CC)C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C(N)=O)[C@@H]2C1 ZINC001221786455 780423165 /nfs/dbraw/zinc/42/31/65/780423165.db2.gz XYFZNBHLWHAXOY-GHMZBOCLSA-N 1 2 296.371 -1.127 20 0 CAADLO CCN(CC)C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C(N)=O)[C@@H]2C1 ZINC001221786455 780423171 /nfs/dbraw/zinc/42/31/71/780423171.db2.gz XYFZNBHLWHAXOY-GHMZBOCLSA-N 1 2 296.371 -1.127 20 0 CAADLO COC[C@@H](OC)C(=O)N1C[C@H]2CC[N@H+](CC(N)=O)C[C@H]21 ZINC001221805906 780423244 /nfs/dbraw/zinc/42/32/44/780423244.db2.gz NHOHQPUQCTYIIO-GMTAPVOTSA-N 1 2 285.344 -1.334 20 0 CAADLO COC[C@@H](OC)C(=O)N1C[C@H]2CC[N@@H+](CC(N)=O)C[C@H]21 ZINC001221805906 780423249 /nfs/dbraw/zinc/42/32/49/780423249.db2.gz NHOHQPUQCTYIIO-GMTAPVOTSA-N 1 2 285.344 -1.334 20 0 CAADLO CC[C@@H](NC(C)=O)C(=O)N1C[C@H]2CC[N@H+](CC(N)=O)C[C@H]21 ZINC001221826025 780423352 /nfs/dbraw/zinc/42/33/52/780423352.db2.gz XHRODBDHIZACJP-IJLUTSLNSA-N 1 2 296.371 -1.081 20 0 CAADLO CC[C@@H](NC(C)=O)C(=O)N1C[C@H]2CC[N@@H+](CC(N)=O)C[C@H]21 ZINC001221826025 780423357 /nfs/dbraw/zinc/42/33/57/780423357.db2.gz XHRODBDHIZACJP-IJLUTSLNSA-N 1 2 296.371 -1.081 20 0 CAADLO CNC(=O)C1(C(=O)N2C[C@H]3CC[N@H+](CC(N)=O)C[C@H]32)CC1 ZINC001221871160 780423744 /nfs/dbraw/zinc/42/37/44/780423744.db2.gz ZWUSRRYAUMCOFW-NXEZZACHSA-N 1 2 294.355 -1.469 20 0 CAADLO CNC(=O)C1(C(=O)N2C[C@H]3CC[N@@H+](CC(N)=O)C[C@H]32)CC1 ZINC001221871160 780423748 /nfs/dbraw/zinc/42/37/48/780423748.db2.gz ZWUSRRYAUMCOFW-NXEZZACHSA-N 1 2 294.355 -1.469 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](COC)OC)[C@@H]2C1 ZINC001221804493 780423752 /nfs/dbraw/zinc/42/37/52/780423752.db2.gz KEFSUYRCHUIJQN-IJLUTSLNSA-N 1 2 299.371 -1.074 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](COC)OC)[C@@H]2C1 ZINC001221804493 780423753 /nfs/dbraw/zinc/42/37/53/780423753.db2.gz KEFSUYRCHUIJQN-IJLUTSLNSA-N 1 2 299.371 -1.074 20 0 CAADLO CC(=O)NC(C)(C)C(=O)N1C[C@H]2CC[N@H+](CC(N)=O)C[C@H]21 ZINC001221874991 780424971 /nfs/dbraw/zinc/42/49/71/780424971.db2.gz HNMFGQVFRBAYEW-GHMZBOCLSA-N 1 2 296.371 -1.081 20 0 CAADLO CC(=O)NC(C)(C)C(=O)N1C[C@H]2CC[N@@H+](CC(N)=O)C[C@H]21 ZINC001221874991 780424975 /nfs/dbraw/zinc/42/49/75/780424975.db2.gz HNMFGQVFRBAYEW-GHMZBOCLSA-N 1 2 296.371 -1.081 20 0 CAADLO Cc1nc(CC(=O)NCC2CC[NH+](CC(N)=O)CC2)n[nH]1 ZINC001223133992 780428433 /nfs/dbraw/zinc/42/84/33/780428433.db2.gz DZVSKWMRTHHCEB-UHFFFAOYSA-N 1 2 294.359 -1.031 20 0 CAADLO NC(=O)C(=O)NCC1CC[NH+](Cc2cnon2)CC1 ZINC001224302944 780433646 /nfs/dbraw/zinc/43/36/46/780433646.db2.gz DHDSELJARRWFGZ-UHFFFAOYSA-N 1 2 267.289 -1.117 20 0 CAADLO NC(=O)C[NH+]1CCC(CNC(=O)Cc2nnc[nH]2)CC1 ZINC001225136018 780436079 /nfs/dbraw/zinc/43/60/79/780436079.db2.gz RIAFJVIMVCOLQT-UHFFFAOYSA-N 1 2 280.332 -1.339 20 0 CAADLO Cn1nnc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)CC(N)=O)n1 ZINC001225500408 780438319 /nfs/dbraw/zinc/43/83/19/780438319.db2.gz CLZKXXNIPOMLSI-RKDXNWHRSA-N 1 2 295.347 -1.398 20 0 CAADLO Cn1cc(C[NH+]2CCC(NC(=O)CNC(N)=O)CC2)nn1 ZINC001226010357 780441121 /nfs/dbraw/zinc/44/11/21/780441121.db2.gz IXRDTQFJPWAXPG-UHFFFAOYSA-N 1 2 295.347 -1.436 20 0 CAADLO Cn1[nH]c(C[NH+]2CCC(NC(=O)CC(N)=O)CC2)nc1=O ZINC001226699406 780443834 /nfs/dbraw/zinc/44/38/34/780443834.db2.gz NUIAVDULAFFXRP-UHFFFAOYSA-N 1 2 296.331 -1.936 20 0 CAADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)CC(N)=O)CC1 ZINC001226698296 780444104 /nfs/dbraw/zinc/44/41/04/780444104.db2.gz CDFTUARSAICGTM-UHFFFAOYSA-N 1 2 291.373 -1.513 20 0 CAADLO Cn1c[nH+]c(CCNC(=O)NCCN2C(=O)CNC2=O)c1 ZINC001227245057 780446139 /nfs/dbraw/zinc/44/61/39/780446139.db2.gz FOCCLTIQPSXRBZ-UHFFFAOYSA-N 1 2 294.315 -1.186 20 0 CAADLO CN(C)C(=O)C[NH+]1CC2(C[C@H]2C(=O)Nc2nnnn2C)C1 ZINC001277330111 780451873 /nfs/dbraw/zinc/45/18/73/780451873.db2.gz FFMCVCPHSKIKBV-QMMMGPOBSA-N 1 2 293.331 -1.441 20 0 CAADLO CN(C)C(=O)CNC(=O)[C@@H]1CC12C[NH+](CC(=O)N(C)C)C2 ZINC001277334294 780452259 /nfs/dbraw/zinc/45/22/59/780452259.db2.gz LTSOVFAMTBKPOH-JTQLQIEISA-N 1 2 296.371 -1.399 20 0 CAADLO C[C@H](C[C@H](C)NC(=O)C(N)=O)NC(=O)Cc1c[nH]c[nH+]1 ZINC001281450290 780454705 /nfs/dbraw/zinc/45/47/05/780454705.db2.gz YWFOLOJHMJZGTG-SFYZADRCSA-N 1 2 281.316 -1.163 20 0 CAADLO COCC(=O)N(C)C[C@H]1CC[N@@H+]1[C@@H](C)C(=O)NC(N)=O ZINC001230547320 780458009 /nfs/dbraw/zinc/45/80/09/780458009.db2.gz GPPXVJWNBWEWPH-DTWKUNHWSA-N 1 2 286.332 -1.251 20 0 CAADLO COCC(=O)N(C)C[C@H]1CC[N@H+]1[C@@H](C)C(=O)NC(N)=O ZINC001230547320 780458010 /nfs/dbraw/zinc/45/80/10/780458010.db2.gz GPPXVJWNBWEWPH-DTWKUNHWSA-N 1 2 286.332 -1.251 20 0 CAADLO COCC(=O)N(C)C[C@@H]1CC[N@@H+]1[C@@H](C)C(=O)NC(N)=O ZINC001230547321 780458017 /nfs/dbraw/zinc/45/80/17/780458017.db2.gz GPPXVJWNBWEWPH-IUCAKERBSA-N 1 2 286.332 -1.251 20 0 CAADLO COCC(=O)N(C)C[C@@H]1CC[N@H+]1[C@@H](C)C(=O)NC(N)=O ZINC001230547321 780458019 /nfs/dbraw/zinc/45/80/19/780458019.db2.gz GPPXVJWNBWEWPH-IUCAKERBSA-N 1 2 286.332 -1.251 20 0 CAADLO CC(=O)NCC(=O)N(C)C[C@H]1CC[N@@H+]1CC(=O)NC1CC1 ZINC001230621302 780458111 /nfs/dbraw/zinc/45/81/11/780458111.db2.gz MYZXPAFRAHSQSI-GFCCVEGCSA-N 1 2 296.371 -1.066 20 0 CAADLO CC(=O)NCC(=O)N(C)C[C@H]1CC[N@H+]1CC(=O)NC1CC1 ZINC001230621302 780458115 /nfs/dbraw/zinc/45/81/15/780458115.db2.gz MYZXPAFRAHSQSI-GFCCVEGCSA-N 1 2 296.371 -1.066 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)CNC(C)=O ZINC001230622127 780458152 /nfs/dbraw/zinc/45/81/52/780458152.db2.gz WHHZXBGMTODOQK-JTQLQIEISA-N 1 2 270.333 -1.599 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)CNC(C)=O ZINC001230622127 780458155 /nfs/dbraw/zinc/45/81/55/780458155.db2.gz WHHZXBGMTODOQK-JTQLQIEISA-N 1 2 270.333 -1.599 20 0 CAADLO COCC(=O)N(C)C[C@@H]1CC[N@@H+]1CCNS(C)(=O)=O ZINC001230544101 780458184 /nfs/dbraw/zinc/45/81/84/780458184.db2.gz JHFBNPBJXXAZQD-JTQLQIEISA-N 1 2 293.389 -1.285 20 0 CAADLO COCC(=O)N(C)C[C@@H]1CC[N@H+]1CCNS(C)(=O)=O ZINC001230544101 780458189 /nfs/dbraw/zinc/45/81/89/780458189.db2.gz JHFBNPBJXXAZQD-JTQLQIEISA-N 1 2 293.389 -1.285 20 0 CAADLO COCC(=O)N(C)C[C@@H]1CC[N@@H+]1[C@H](C)C(=O)NC(N)=O ZINC001230547319 780458198 /nfs/dbraw/zinc/45/81/98/780458198.db2.gz GPPXVJWNBWEWPH-BDAKNGLRSA-N 1 2 286.332 -1.251 20 0 CAADLO COCC(=O)N(C)C[C@@H]1CC[N@H+]1[C@H](C)C(=O)NC(N)=O ZINC001230547319 780458202 /nfs/dbraw/zinc/45/82/02/780458202.db2.gz GPPXVJWNBWEWPH-BDAKNGLRSA-N 1 2 286.332 -1.251 20 0 CAADLO CC(=O)NCC(=O)N(C)C[C@@H]1CC[N@@H+]1CC(=O)NC1CC1 ZINC001230621303 780458270 /nfs/dbraw/zinc/45/82/70/780458270.db2.gz MYZXPAFRAHSQSI-LBPRGKRZSA-N 1 2 296.371 -1.066 20 0 CAADLO CC(=O)NCC(=O)N(C)C[C@@H]1CC[N@H+]1CC(=O)NC1CC1 ZINC001230621303 780458274 /nfs/dbraw/zinc/45/82/74/780458274.db2.gz MYZXPAFRAHSQSI-LBPRGKRZSA-N 1 2 296.371 -1.066 20 0 CAADLO CC(=O)NCC(=O)N(C)C[C@H]1CC[N@H+]1CC(=O)N(C)C ZINC001230621791 780458377 /nfs/dbraw/zinc/45/83/77/780458377.db2.gz TUSFNDCLCARDOY-LLVKDONJSA-N 1 2 284.360 -1.257 20 0 CAADLO CC(=O)NCC(=O)N(C)C[C@H]1CC[N@@H+]1CC(=O)N(C)C ZINC001230621791 780458380 /nfs/dbraw/zinc/45/83/80/780458380.db2.gz TUSFNDCLCARDOY-LLVKDONJSA-N 1 2 284.360 -1.257 20 0 CAADLO CC(=O)NCC(=O)N(C)C[C@@H]1CC[N@@H+]1[C@H]1CCNC1=O ZINC001230629564 780459068 /nfs/dbraw/zinc/45/90/68/780459068.db2.gz OQFNOYZGXMQKNM-QWRGUYRKSA-N 1 2 282.344 -1.456 20 0 CAADLO CC(=O)NCC(=O)N(C)C[C@@H]1CC[N@H+]1[C@H]1CCNC1=O ZINC001230629564 780459070 /nfs/dbraw/zinc/45/90/70/780459070.db2.gz OQFNOYZGXMQKNM-QWRGUYRKSA-N 1 2 282.344 -1.456 20 0 CAADLO CCCNC(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)CNC(N)=O ZINC001230731171 780459226 /nfs/dbraw/zinc/45/92/26/780459226.db2.gz RWKWOWISNKETQU-JTQLQIEISA-N 1 2 299.375 -1.286 20 0 CAADLO CCCNC(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)CNC(N)=O ZINC001230731171 780459229 /nfs/dbraw/zinc/45/92/29/780459229.db2.gz RWKWOWISNKETQU-JTQLQIEISA-N 1 2 299.375 -1.286 20 0 CAADLO CC(=O)NCC(=O)N(C)C[C@H]1CC[N@@H+]1[C@H]1CCNC1=O ZINC001230629563 780459558 /nfs/dbraw/zinc/45/95/58/780459558.db2.gz OQFNOYZGXMQKNM-MNOVXSKESA-N 1 2 282.344 -1.456 20 0 CAADLO CC(=O)NCC(=O)N(C)C[C@H]1CC[N@H+]1[C@H]1CCNC1=O ZINC001230629563 780459563 /nfs/dbraw/zinc/45/95/63/780459563.db2.gz OQFNOYZGXMQKNM-MNOVXSKESA-N 1 2 282.344 -1.456 20 0 CAADLO CC[C@@H](C(N)=O)[N@@H+]1CC[C@H]1CN(C)C(=O)CNC(N)=O ZINC001230734200 780460096 /nfs/dbraw/zinc/46/00/96/780460096.db2.gz BCOPANSEVRGPRX-IUCAKERBSA-N 1 2 285.348 -1.549 20 0 CAADLO CC[C@@H](C(N)=O)[N@H+]1CC[C@H]1CN(C)C(=O)CNC(N)=O ZINC001230734200 780460101 /nfs/dbraw/zinc/46/01/01/780460101.db2.gz BCOPANSEVRGPRX-IUCAKERBSA-N 1 2 285.348 -1.549 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+]1CC[C@H]1CN(C)C(=O)CNC(C)=O ZINC001230642561 780460117 /nfs/dbraw/zinc/46/01/17/780460117.db2.gz UTDUBYBKUUIGFF-KOLCDFICSA-N 1 2 284.360 -1.210 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+]1CC[C@H]1CN(C)C(=O)CNC(C)=O ZINC001230642561 780460120 /nfs/dbraw/zinc/46/01/20/780460120.db2.gz UTDUBYBKUUIGFF-KOLCDFICSA-N 1 2 284.360 -1.210 20 0 CAADLO CC[C@H](C(N)=O)[N@@H+]1CC[C@H]1CN(C)C(=O)CNC(N)=O ZINC001230734199 780460527 /nfs/dbraw/zinc/46/05/27/780460527.db2.gz BCOPANSEVRGPRX-DTWKUNHWSA-N 1 2 285.348 -1.549 20 0 CAADLO CC[C@H](C(N)=O)[N@H+]1CC[C@H]1CN(C)C(=O)CNC(N)=O ZINC001230734199 780460534 /nfs/dbraw/zinc/46/05/34/780460534.db2.gz BCOPANSEVRGPRX-DTWKUNHWSA-N 1 2 285.348 -1.549 20 0 CAADLO CN(C)C(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)Cn1cnnn1 ZINC001230750060 780460546 /nfs/dbraw/zinc/46/05/46/780460546.db2.gz SCICCMDQRXJMRC-JTQLQIEISA-N 1 2 295.347 -1.706 20 0 CAADLO CN(C)C(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)Cn1cnnn1 ZINC001230750060 780460548 /nfs/dbraw/zinc/46/05/48/780460548.db2.gz SCICCMDQRXJMRC-JTQLQIEISA-N 1 2 295.347 -1.706 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)CN1CCCC1=O ZINC001230737877 780460638 /nfs/dbraw/zinc/46/06/38/780460638.db2.gz AQLMJGBQRPKRHF-NSHDSACASA-N 1 2 296.371 -1.113 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)CN1CCCC1=O ZINC001230737877 780460643 /nfs/dbraw/zinc/46/06/43/780460643.db2.gz AQLMJGBQRPKRHF-NSHDSACASA-N 1 2 296.371 -1.113 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+]1CC[C@@H]1CN(C)C(=O)CNC(N)=O ZINC001230734827 780460906 /nfs/dbraw/zinc/46/09/06/780460906.db2.gz IFWPHNCSBGOWKG-RKDXNWHRSA-N 1 2 285.348 -1.678 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+]1CC[C@@H]1CN(C)C(=O)CNC(N)=O ZINC001230734827 780460911 /nfs/dbraw/zinc/46/09/11/780460911.db2.gz IFWPHNCSBGOWKG-RKDXNWHRSA-N 1 2 285.348 -1.678 20 0 CAADLO CC(=O)N(C)CC(=O)N(C)C[C@@H]1CC[N@@H+]1[C@H]1CCNC1=O ZINC001230829653 780460963 /nfs/dbraw/zinc/46/09/63/780460963.db2.gz QQHYPQUIGLITPX-RYUDHWBXSA-N 1 2 296.371 -1.114 20 0 CAADLO CC(=O)N(C)CC(=O)N(C)C[C@@H]1CC[N@H+]1[C@H]1CCNC1=O ZINC001230829653 780460965 /nfs/dbraw/zinc/46/09/65/780460965.db2.gz QQHYPQUIGLITPX-RYUDHWBXSA-N 1 2 296.371 -1.114 20 0 CAADLO CC(=O)N(C)CC(=O)N(C)C[C@@H]1CC[N@H+]1[C@@H](C)C(N)=O ZINC001230829056 780460995 /nfs/dbraw/zinc/46/09/95/780460995.db2.gz HVJYAPNZSWUOIX-ONGXEEELSA-N 1 2 284.360 -1.129 20 0 CAADLO CC(=O)N(C)CC(=O)N(C)C[C@@H]1CC[N@@H+]1[C@@H](C)C(N)=O ZINC001230829056 780461000 /nfs/dbraw/zinc/46/10/00/780461000.db2.gz HVJYAPNZSWUOIX-ONGXEEELSA-N 1 2 284.360 -1.129 20 0 CAADLO CC[C@H](C(N)=O)[N@@H+]1CC[C@H]1CN(C)C(=O)Cn1cnnn1 ZINC001230753640 780461016 /nfs/dbraw/zinc/46/10/16/780461016.db2.gz YJAJADSKZNUTFF-VHSXEESVSA-N 1 2 295.347 -1.530 20 0 CAADLO CC[C@H](C(N)=O)[N@H+]1CC[C@H]1CN(C)C(=O)Cn1cnnn1 ZINC001230753640 780461020 /nfs/dbraw/zinc/46/10/20/780461020.db2.gz YJAJADSKZNUTFF-VHSXEESVSA-N 1 2 295.347 -1.530 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)CN1CCCC1=O ZINC001230737873 780461059 /nfs/dbraw/zinc/46/10/59/780461059.db2.gz AQLMJGBQRPKRHF-LLVKDONJSA-N 1 2 296.371 -1.113 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)CN1CCCC1=O ZINC001230737873 780461063 /nfs/dbraw/zinc/46/10/63/780461063.db2.gz AQLMJGBQRPKRHF-LLVKDONJSA-N 1 2 296.371 -1.113 20 0 CAADLO CC(=O)N(C)CC(=O)N(C)C[C@H]1CC[N@H+]1[C@H](C)C(N)=O ZINC001230829055 780461135 /nfs/dbraw/zinc/46/11/35/780461135.db2.gz HVJYAPNZSWUOIX-MWLCHTKSSA-N 1 2 284.360 -1.129 20 0 CAADLO CC(=O)N(C)CC(=O)N(C)C[C@H]1CC[N@@H+]1[C@H](C)C(N)=O ZINC001230829055 780461137 /nfs/dbraw/zinc/46/11/37/780461137.db2.gz HVJYAPNZSWUOIX-MWLCHTKSSA-N 1 2 284.360 -1.129 20 0 CAADLO CN(C[C@H]1CC[N@@H+]1[C@H]1CCN(C)C1=O)C(=O)CNC(N)=O ZINC001230734223 780461357 /nfs/dbraw/zinc/46/13/57/780461357.db2.gz BOMMTIDBKVLPDH-ZJUUUORDSA-N 1 2 297.359 -1.582 20 0 CAADLO CN(C[C@H]1CC[N@H+]1[C@H]1CCN(C)C1=O)C(=O)CNC(N)=O ZINC001230734223 780461361 /nfs/dbraw/zinc/46/13/61/780461361.db2.gz BOMMTIDBKVLPDH-ZJUUUORDSA-N 1 2 297.359 -1.582 20 0 CAADLO CN(C[C@H]1CC[N@@H+]1[C@H]1CCNC1=O)C(=O)Cn1cnnn1 ZINC001230749984 780461408 /nfs/dbraw/zinc/46/14/08/780461408.db2.gz RNQYCLZTLGPHQZ-ZJUUUORDSA-N 1 2 293.331 -1.906 20 0 CAADLO CN(C[C@H]1CC[N@H+]1[C@H]1CCNC1=O)C(=O)Cn1cnnn1 ZINC001230749984 780461413 /nfs/dbraw/zinc/46/14/13/780461413.db2.gz RNQYCLZTLGPHQZ-ZJUUUORDSA-N 1 2 293.331 -1.906 20 0 CAADLO CC(=O)N(C)CC(=O)N(C)C[C@H]1CC[N@@H+]1[C@@H]1CCNC1=O ZINC001230829655 780461522 /nfs/dbraw/zinc/46/15/22/780461522.db2.gz QQHYPQUIGLITPX-VXGBXAGGSA-N 1 2 296.371 -1.114 20 0 CAADLO CC(=O)N(C)CC(=O)N(C)C[C@H]1CC[N@H+]1[C@@H]1CCNC1=O ZINC001230829655 780461524 /nfs/dbraw/zinc/46/15/24/780461524.db2.gz QQHYPQUIGLITPX-VXGBXAGGSA-N 1 2 296.371 -1.114 20 0 CAADLO CC(=O)N(C)CC(=O)N(C)C[C@@H]1CC[N@H+]1[C@H](C)C(N)=O ZINC001230829054 780461571 /nfs/dbraw/zinc/46/15/71/780461571.db2.gz HVJYAPNZSWUOIX-KOLCDFICSA-N 1 2 284.360 -1.129 20 0 CAADLO CC(=O)N(C)CC(=O)N(C)C[C@@H]1CC[N@@H+]1[C@H](C)C(N)=O ZINC001230829054 780461576 /nfs/dbraw/zinc/46/15/76/780461576.db2.gz HVJYAPNZSWUOIX-KOLCDFICSA-N 1 2 284.360 -1.129 20 0 CAADLO CN(C[C@@H]1CC[N@@H+]1[C@@H]1CCNC1=O)C(=O)Cn1cnnn1 ZINC001230749983 780461626 /nfs/dbraw/zinc/46/16/26/780461626.db2.gz RNQYCLZTLGPHQZ-VHSXEESVSA-N 1 2 293.331 -1.906 20 0 CAADLO CN(C[C@@H]1CC[N@H+]1[C@@H]1CCNC1=O)C(=O)Cn1cnnn1 ZINC001230749983 780461630 /nfs/dbraw/zinc/46/16/30/780461630.db2.gz RNQYCLZTLGPHQZ-VHSXEESVSA-N 1 2 293.331 -1.906 20 0 CAADLO CC(=O)N(C)CC(=O)N(C)C[C@H]1CC[N@H+]1[C@@H](C)C(N)=O ZINC001230829053 780461731 /nfs/dbraw/zinc/46/17/31/780461731.db2.gz HVJYAPNZSWUOIX-GXSJLCMTSA-N 1 2 284.360 -1.129 20 0 CAADLO CC(=O)N(C)CC(=O)N(C)C[C@H]1CC[N@@H+]1[C@@H](C)C(N)=O ZINC001230829053 780461736 /nfs/dbraw/zinc/46/17/36/780461736.db2.gz HVJYAPNZSWUOIX-GXSJLCMTSA-N 1 2 284.360 -1.129 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CC[C@@H]1CN(C)C(=O)Cn1cnnn1 ZINC001230750495 780461770 /nfs/dbraw/zinc/46/17/70/780461770.db2.gz YGHYVHNMEZQATA-RKDXNWHRSA-N 1 2 281.320 -1.920 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CC[C@@H]1CN(C)C(=O)Cn1cnnn1 ZINC001230750495 780461772 /nfs/dbraw/zinc/46/17/72/780461772.db2.gz YGHYVHNMEZQATA-RKDXNWHRSA-N 1 2 281.320 -1.920 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CC[C@H]1CN(C)C(=O)CNC(N)=O ZINC001230735559 780461806 /nfs/dbraw/zinc/46/18/06/780461806.db2.gz VHPVFYZFZUUYRT-SFYZADRCSA-N 1 2 271.321 -1.939 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CC[C@H]1CN(C)C(=O)CNC(N)=O ZINC001230735559 780461809 /nfs/dbraw/zinc/46/18/09/780461809.db2.gz VHPVFYZFZUUYRT-SFYZADRCSA-N 1 2 271.321 -1.939 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+]1CC[C@H]1CN(C)C(=O)Cn1cnnn1 ZINC001230748708 780461818 /nfs/dbraw/zinc/46/18/18/780461818.db2.gz IMGHQOCHQVQJRZ-ZJUUUORDSA-N 1 2 295.347 -1.660 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+]1CC[C@H]1CN(C)C(=O)Cn1cnnn1 ZINC001230748708 780461822 /nfs/dbraw/zinc/46/18/22/780461822.db2.gz IMGHQOCHQVQJRZ-ZJUUUORDSA-N 1 2 295.347 -1.660 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)CN(C)C(C)=O ZINC001230819215 780461842 /nfs/dbraw/zinc/46/18/42/780461842.db2.gz OWYVVGBMAGFPDD-LLVKDONJSA-N 1 2 284.360 -1.257 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)CN(C)C(C)=O ZINC001230819215 780461846 /nfs/dbraw/zinc/46/18/46/780461846.db2.gz OWYVVGBMAGFPDD-LLVKDONJSA-N 1 2 284.360 -1.257 20 0 CAADLO COC(=O)NCC(=O)N(C)C[C@H]1CC[N@@H+]1[C@@H]1CCNC1=O ZINC001230915411 780462479 /nfs/dbraw/zinc/46/24/79/780462479.db2.gz GLJDABFOHIYCTQ-NXEZZACHSA-N 1 2 298.343 -1.236 20 0 CAADLO COC(=O)NCC(=O)N(C)C[C@H]1CC[N@H+]1[C@@H]1CCNC1=O ZINC001230915411 780462483 /nfs/dbraw/zinc/46/24/83/780462483.db2.gz GLJDABFOHIYCTQ-NXEZZACHSA-N 1 2 298.343 -1.236 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CC[C@H]1CN(C)C(=O)CNC(=O)C1CC1 ZINC001230877284 780462635 /nfs/dbraw/zinc/46/26/35/780462635.db2.gz YIAFPIOREIPETE-KOLCDFICSA-N 1 2 296.371 -1.081 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CC[C@H]1CN(C)C(=O)CNC(=O)C1CC1 ZINC001230877284 780462637 /nfs/dbraw/zinc/46/26/37/780462637.db2.gz YIAFPIOREIPETE-KOLCDFICSA-N 1 2 296.371 -1.081 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CC[C@@H]1CN(C)C(=O)CNC(=O)C1CC1 ZINC001230877285 780463341 /nfs/dbraw/zinc/46/33/41/780463341.db2.gz YIAFPIOREIPETE-MWLCHTKSSA-N 1 2 296.371 -1.081 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CC[C@@H]1CN(C)C(=O)CNC(=O)C1CC1 ZINC001230877285 780463346 /nfs/dbraw/zinc/46/33/46/780463346.db2.gz YIAFPIOREIPETE-MWLCHTKSSA-N 1 2 296.371 -1.081 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)CNC(=O)C1CC1 ZINC001230845319 780463351 /nfs/dbraw/zinc/46/33/51/780463351.db2.gz YXWRFIJLJIXDRK-NSHDSACASA-N 1 2 296.371 -1.209 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)CNC(=O)C1CC1 ZINC001230845319 780463356 /nfs/dbraw/zinc/46/33/56/780463356.db2.gz YXWRFIJLJIXDRK-NSHDSACASA-N 1 2 296.371 -1.209 20 0 CAADLO CC(=O)NCC(=O)NCCC[N@@H+](C)Cc1nncn1C ZINC001231259243 780464154 /nfs/dbraw/zinc/46/41/54/780464154.db2.gz WCKVIHQECAAMBL-UHFFFAOYSA-N 1 2 282.348 -1.111 20 0 CAADLO CC(=O)NCC(=O)NCCC[N@H+](C)Cc1nncn1C ZINC001231259243 780464159 /nfs/dbraw/zinc/46/41/59/780464159.db2.gz WCKVIHQECAAMBL-UHFFFAOYSA-N 1 2 282.348 -1.111 20 0 CAADLO CCC(=O)NCC(=O)N(C)C[C@@H]1CC[N@@H+]1[C@@H]1CCNC1=O ZINC001231226014 780464363 /nfs/dbraw/zinc/46/43/63/780464363.db2.gz LTOPXYMBFJNSTQ-WDEREUQCSA-N 1 2 296.371 -1.066 20 0 CAADLO CCC(=O)NCC(=O)N(C)C[C@@H]1CC[N@H+]1[C@@H]1CCNC1=O ZINC001231226014 780464369 /nfs/dbraw/zinc/46/43/69/780464369.db2.gz LTOPXYMBFJNSTQ-WDEREUQCSA-N 1 2 296.371 -1.066 20 0 CAADLO CC(=O)NCC(=O)NCCC[N@@H+](C)Cc1nc(=O)n(C)[nH]1 ZINC001231258671 780464443 /nfs/dbraw/zinc/46/44/43/780464443.db2.gz JTXQFULYBYFLHU-UHFFFAOYSA-N 1 2 298.347 -1.817 20 0 CAADLO CC(=O)NCC(=O)NCCC[N@H+](C)Cc1nc(=O)n(C)[nH]1 ZINC001231258671 780464450 /nfs/dbraw/zinc/46/44/50/780464450.db2.gz JTXQFULYBYFLHU-UHFFFAOYSA-N 1 2 298.347 -1.817 20 0 CAADLO CN(C[C@@H]1CC[N@@H+]1[C@@H]1CCNC1=O)C(=O)CC(N)=O ZINC001231398259 780465692 /nfs/dbraw/zinc/46/56/92/780465692.db2.gz BOYAKQUUBSYYTN-DTWKUNHWSA-N 1 2 268.317 -1.717 20 0 CAADLO CN(C[C@@H]1CC[N@H+]1[C@@H]1CCNC1=O)C(=O)CC(N)=O ZINC001231398259 780465695 /nfs/dbraw/zinc/46/56/95/780465695.db2.gz BOYAKQUUBSYYTN-DTWKUNHWSA-N 1 2 268.317 -1.717 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)CC(N)=O ZINC001231398301 780465719 /nfs/dbraw/zinc/46/57/19/780465719.db2.gz CMXHQGQGJZVQHX-QMMMGPOBSA-N 1 2 256.306 -1.860 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)CC(N)=O ZINC001231398301 780465725 /nfs/dbraw/zinc/46/57/25/780465725.db2.gz CMXHQGQGJZVQHX-QMMMGPOBSA-N 1 2 256.306 -1.860 20 0 CAADLO CN(C[C@H]1CC[N@@H+]1[C@H]1CCNC1=O)C(=O)CC(N)=O ZINC001231398258 780465777 /nfs/dbraw/zinc/46/57/77/780465777.db2.gz BOYAKQUUBSYYTN-BDAKNGLRSA-N 1 2 268.317 -1.717 20 0 CAADLO CN(C[C@H]1CC[N@H+]1[C@H]1CCNC1=O)C(=O)CC(N)=O ZINC001231398258 780465784 /nfs/dbraw/zinc/46/57/84/780465784.db2.gz BOYAKQUUBSYYTN-BDAKNGLRSA-N 1 2 268.317 -1.717 20 0 CAADLO C[C@H](C(=O)NC(N)=O)[N@@H+]1CC[C@H]1CN(C)C(=O)CC(N)=O ZINC001231358645 780465828 /nfs/dbraw/zinc/46/58/28/780465828.db2.gz GZBBGWFZLKTMGF-SFYZADRCSA-N 1 2 299.331 -2.022 20 0 CAADLO C[C@H](C(=O)NC(N)=O)[N@H+]1CC[C@H]1CN(C)C(=O)CC(N)=O ZINC001231358645 780465836 /nfs/dbraw/zinc/46/58/36/780465836.db2.gz GZBBGWFZLKTMGF-SFYZADRCSA-N 1 2 299.331 -2.022 20 0 CAADLO CN(C[C@H]1CC[N@@H+]1[C@@H]1CCNC1=O)C(=O)CC(N)=O ZINC001231398261 780465938 /nfs/dbraw/zinc/46/59/38/780465938.db2.gz BOYAKQUUBSYYTN-RKDXNWHRSA-N 1 2 268.317 -1.717 20 0 CAADLO CN(C[C@H]1CC[N@H+]1[C@@H]1CCNC1=O)C(=O)CC(N)=O ZINC001231398261 780465945 /nfs/dbraw/zinc/46/59/45/780465945.db2.gz BOYAKQUUBSYYTN-RKDXNWHRSA-N 1 2 268.317 -1.717 20 0 CAADLO C[C@H](C(=O)NC(N)=O)[N@@H+]1CC[C@@H]1CN(C)C(=O)CC(N)=O ZINC001231358640 780466476 /nfs/dbraw/zinc/46/64/76/780466476.db2.gz GZBBGWFZLKTMGF-HTQZYQBOSA-N 1 2 299.331 -2.022 20 0 CAADLO C[C@H](C(=O)NC(N)=O)[N@H+]1CC[C@@H]1CN(C)C(=O)CC(N)=O ZINC001231358640 780466477 /nfs/dbraw/zinc/46/64/77/780466477.db2.gz GZBBGWFZLKTMGF-HTQZYQBOSA-N 1 2 299.331 -2.022 20 0 CAADLO C[C@@H](C(=O)NC(N)=O)[N@@H+]1CC[C@@H]1CN(C)C(=O)CC(N)=O ZINC001231358644 780466511 /nfs/dbraw/zinc/46/65/11/780466511.db2.gz GZBBGWFZLKTMGF-JGVFFNPUSA-N 1 2 299.331 -2.022 20 0 CAADLO C[C@@H](C(=O)NC(N)=O)[N@H+]1CC[C@@H]1CN(C)C(=O)CC(N)=O ZINC001231358644 780466513 /nfs/dbraw/zinc/46/65/13/780466513.db2.gz GZBBGWFZLKTMGF-JGVFFNPUSA-N 1 2 299.331 -2.022 20 0 CAADLO CN(C[C@H]1CC[N@@H+]1CC(=O)N1CCC1)C(=O)CC(N)=O ZINC001231398781 780467294 /nfs/dbraw/zinc/46/72/94/780467294.db2.gz PQNKWANKXCKAHI-SNVBAGLBSA-N 1 2 282.344 -1.373 20 0 CAADLO CN(C[C@H]1CC[N@H+]1CC(=O)N1CCC1)C(=O)CC(N)=O ZINC001231398781 780467299 /nfs/dbraw/zinc/46/72/99/780467299.db2.gz PQNKWANKXCKAHI-SNVBAGLBSA-N 1 2 282.344 -1.373 20 0 CAADLO CC(=O)NCC(=O)N(C)C1C[NH+](CCOCCO)C1 ZINC001277548229 780467314 /nfs/dbraw/zinc/46/73/14/780467314.db2.gz JWNURGJZJNITLI-UHFFFAOYSA-N 1 2 273.333 -1.726 20 0 CAADLO CN(C[C@H]1CC[N@@H+]1[C@@H]1CCC(=O)NC1=O)C(=O)CC(N)=O ZINC001231399452 780467572 /nfs/dbraw/zinc/46/75/72/780467572.db2.gz ZSDIVNMYDKSEOQ-RKDXNWHRSA-N 1 2 296.327 -1.800 20 0 CAADLO CN(C[C@H]1CC[N@H+]1[C@@H]1CCC(=O)NC1=O)C(=O)CC(N)=O ZINC001231399452 780467576 /nfs/dbraw/zinc/46/75/76/780467576.db2.gz ZSDIVNMYDKSEOQ-RKDXNWHRSA-N 1 2 296.327 -1.800 20 0 CAADLO CN(C[C@@H]1CC[N@@H+]1CC(=O)NCC1CC1)C(=O)CC(N)=O ZINC001231398973 780467640 /nfs/dbraw/zinc/46/76/40/780467640.db2.gz USJRQTQREQDFTN-NSHDSACASA-N 1 2 296.371 -1.079 20 0 CAADLO CN(C[C@@H]1CC[N@H+]1CC(=O)NCC1CC1)C(=O)CC(N)=O ZINC001231398973 780467646 /nfs/dbraw/zinc/46/76/46/780467646.db2.gz USJRQTQREQDFTN-NSHDSACASA-N 1 2 296.371 -1.079 20 0 CAADLO NC(=O)[C@@H]1C[N@H+](Cc2c[nH]c(=O)[nH]c2=O)CCO1 ZINC001231702883 780467853 /nfs/dbraw/zinc/46/78/53/780467853.db2.gz GJJWDMJVPVOQKY-ZETCQYMHSA-N 1 2 254.246 -1.426 20 0 CAADLO NC(=O)[C@@H]1C[N@@H+](Cc2c[nH]c(=O)[nH]c2=O)CCO1 ZINC001231702883 780467855 /nfs/dbraw/zinc/46/78/55/780467855.db2.gz GJJWDMJVPVOQKY-ZETCQYMHSA-N 1 2 254.246 -1.426 20 0 CAADLO Cc1ccnc(C[N@H+](C)CCOCCNC(=O)C(N)=O)n1 ZINC001277520764 780468005 /nfs/dbraw/zinc/46/80/05/780468005.db2.gz LLAIDOANDWGVDT-UHFFFAOYSA-N 1 2 295.343 -1.165 20 0 CAADLO Cc1ccnc(C[N@@H+](C)CCOCCNC(=O)C(N)=O)n1 ZINC001277520764 780468008 /nfs/dbraw/zinc/46/80/08/780468008.db2.gz LLAIDOANDWGVDT-UHFFFAOYSA-N 1 2 295.343 -1.165 20 0 CAADLO COC[C@@H]1COCC[N@@H+]1Cc1cn(C)c(=O)n(C)c1=O ZINC001231771750 780469124 /nfs/dbraw/zinc/46/91/24/780469124.db2.gz DEGXPZPNMRYJLD-LLVKDONJSA-N 1 2 283.328 -1.069 20 0 CAADLO COC[C@@H]1COCC[N@H+]1Cc1cn(C)c(=O)n(C)c1=O ZINC001231771750 780469130 /nfs/dbraw/zinc/46/91/30/780469130.db2.gz DEGXPZPNMRYJLD-LLVKDONJSA-N 1 2 283.328 -1.069 20 0 CAADLO COC[C@H](O)C[NH+]1CC(N(C)C(=O)c2cn[nH]n2)C1 ZINC001277626066 780470132 /nfs/dbraw/zinc/47/01/32/780470132.db2.gz RBCGZJGPHDPFOL-SECBINFHSA-N 1 2 269.305 -1.432 20 0 CAADLO CN(C(=O)[C@H]1CCC(=O)NC1)C1C[NH+](CCOCCO)C1 ZINC001277618145 780470176 /nfs/dbraw/zinc/47/01/76/780470176.db2.gz NKPIQDIWMKJBMD-NSHDSACASA-N 1 2 299.371 -1.336 20 0 CAADLO COC[C@@H](O)C[NH+]1CC(N(C)C(=O)c2cn[nH]n2)C1 ZINC001277626067 780470374 /nfs/dbraw/zinc/47/03/74/780470374.db2.gz RBCGZJGPHDPFOL-VIFPVBQESA-N 1 2 269.305 -1.432 20 0 CAADLO CN(C(=O)CC(N)=O)[C@@H](C[NH2+]Cc1nnn(C)n1)C1CC1 ZINC001277630046 780470420 /nfs/dbraw/zinc/47/04/20/780470420.db2.gz UUVZDNDBJWTPSA-VIFPVBQESA-N 1 2 295.347 -1.588 20 0 CAADLO CN(C(=O)[C@@]1(C)CCNC1=O)C1C[NH+](CCOCCO)C1 ZINC001277660606 780472160 /nfs/dbraw/zinc/47/21/60/780472160.db2.gz VXCQPHHJXDCQKW-AWEZNQCLSA-N 1 2 299.371 -1.336 20 0 CAADLO C[C@@H](c1nncn1C)[N@H+](C)CCCNC(=O)CNC(N)=O ZINC001233713234 780473448 /nfs/dbraw/zinc/47/34/48/780473448.db2.gz MIIZUCCWVKLSHV-VIFPVBQESA-N 1 2 297.363 -1.018 20 0 CAADLO C[C@@H](c1nncn1C)[N@@H+](C)CCCNC(=O)CNC(N)=O ZINC001233713234 780473455 /nfs/dbraw/zinc/47/34/55/780473455.db2.gz MIIZUCCWVKLSHV-VIFPVBQESA-N 1 2 297.363 -1.018 20 0 CAADLO Cn1cnnc1C[N@H+](C)CCCNC(=O)CNC(N)=O ZINC001233706140 780473467 /nfs/dbraw/zinc/47/34/67/780473467.db2.gz SNRCKWFPIVUPFP-UHFFFAOYSA-N 1 2 283.336 -1.579 20 0 CAADLO Cn1cnnc1C[N@@H+](C)CCCNC(=O)CNC(N)=O ZINC001233706140 780473474 /nfs/dbraw/zinc/47/34/74/780473474.db2.gz SNRCKWFPIVUPFP-UHFFFAOYSA-N 1 2 283.336 -1.579 20 0 CAADLO CCNC(=O)CC(=O)N(C)C[C@@H]1CC[N@@H+]1[C@H]1CCNC1=O ZINC001233818934 780474396 /nfs/dbraw/zinc/47/43/96/780474396.db2.gz IIEPKZADEMIYQC-QWRGUYRKSA-N 1 2 296.371 -1.066 20 0 CAADLO CCNC(=O)CC(=O)N(C)C[C@@H]1CC[N@H+]1[C@H]1CCNC1=O ZINC001233818934 780474402 /nfs/dbraw/zinc/47/44/02/780474402.db2.gz IIEPKZADEMIYQC-QWRGUYRKSA-N 1 2 296.371 -1.066 20 0 CAADLO CCNC(=O)CC(=O)N(C)C[C@H]1CC[N@@H+]1[C@@H]1CCNC1=O ZINC001233818932 780474570 /nfs/dbraw/zinc/47/45/70/780474570.db2.gz IIEPKZADEMIYQC-GHMZBOCLSA-N 1 2 296.371 -1.066 20 0 CAADLO CCNC(=O)CC(=O)N(C)C[C@H]1CC[N@H+]1[C@@H]1CCNC1=O ZINC001233818932 780474577 /nfs/dbraw/zinc/47/45/77/780474577.db2.gz IIEPKZADEMIYQC-GHMZBOCLSA-N 1 2 296.371 -1.066 20 0 CAADLO Cn1cnnc1C[N@H+](C)CCCNC(=O)Cn1cnnn1 ZINC001233774371 780474701 /nfs/dbraw/zinc/47/47/01/780474701.db2.gz GQUKWXMROXAZGJ-UHFFFAOYSA-N 1 2 293.335 -1.560 20 0 CAADLO Cn1cnnc1C[N@@H+](C)CCCNC(=O)Cn1cnnn1 ZINC001233774371 780474711 /nfs/dbraw/zinc/47/47/11/780474711.db2.gz GQUKWXMROXAZGJ-UHFFFAOYSA-N 1 2 293.335 -1.560 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)CN1CCOCC1 ZINC001233750784 780475309 /nfs/dbraw/zinc/47/53/09/780475309.db2.gz IEORBOBCTCJRJL-LBPRGKRZSA-N 1 2 298.387 -1.403 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)CN1CCOCC1 ZINC001233750784 780475312 /nfs/dbraw/zinc/47/53/12/780475312.db2.gz IEORBOBCTCJRJL-LBPRGKRZSA-N 1 2 298.387 -1.403 20 0 CAADLO Cc1nnc(C[N@H+](C)CCCNC(=O)Cn2cnnn2)[nH]1 ZINC001233752018 780475689 /nfs/dbraw/zinc/47/56/89/780475689.db2.gz YGDLAHIYSASGDV-UHFFFAOYSA-N 1 2 293.335 -1.262 20 0 CAADLO Cc1nnc(C[N@@H+](C)CCCNC(=O)Cn2cnnn2)[nH]1 ZINC001233752018 780475693 /nfs/dbraw/zinc/47/56/93/780475693.db2.gz YGDLAHIYSASGDV-UHFFFAOYSA-N 1 2 293.335 -1.262 20 0 CAADLO CNC(=O)CC(=O)N(C)C[C@H]1CC[N@@H+]1[C@@H](C)C(=O)NC ZINC001233879095 780476198 /nfs/dbraw/zinc/47/61/98/780476198.db2.gz DPRIATBFKBZJHY-VHSXEESVSA-N 1 2 284.360 -1.210 20 0 CAADLO CNC(=O)CC(=O)N(C)C[C@H]1CC[N@H+]1[C@@H](C)C(=O)NC ZINC001233879095 780476201 /nfs/dbraw/zinc/47/62/01/780476201.db2.gz DPRIATBFKBZJHY-VHSXEESVSA-N 1 2 284.360 -1.210 20 0 CAADLO CCNC(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H](C)NC(N)=O ZINC001233891992 780476351 /nfs/dbraw/zinc/47/63/51/780476351.db2.gz ZENZMCJERGHMKW-VHSXEESVSA-N 1 2 299.375 -1.288 20 0 CAADLO CCNC(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H](C)NC(N)=O ZINC001233891992 780476357 /nfs/dbraw/zinc/47/63/57/780476357.db2.gz ZENZMCJERGHMKW-VHSXEESVSA-N 1 2 299.375 -1.288 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CC[C@H]1CN(C)C(=O)CN1CN=NC1=O ZINC001233846120 780476504 /nfs/dbraw/zinc/47/65/04/780476504.db2.gz DRKCNYDFDAXVSI-BDAKNGLRSA-N 1 2 296.331 -1.610 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CC[C@H]1CN(C)C(=O)CN1CN=NC1=O ZINC001233846120 780476511 /nfs/dbraw/zinc/47/65/11/780476511.db2.gz DRKCNYDFDAXVSI-BDAKNGLRSA-N 1 2 296.331 -1.610 20 0 CAADLO C[C@H](NC(N)=O)C(=O)N(C)C[C@@H]1CC[N@@H+]1CC(=O)N(C)C ZINC001233891995 780476731 /nfs/dbraw/zinc/47/67/31/780476731.db2.gz ZGHPTDPSQOGGRV-UWVGGRQHSA-N 1 2 299.375 -1.336 20 0 CAADLO C[C@H](NC(N)=O)C(=O)N(C)C[C@@H]1CC[N@H+]1CC(=O)N(C)C ZINC001233891995 780476738 /nfs/dbraw/zinc/47/67/38/780476738.db2.gz ZGHPTDPSQOGGRV-UWVGGRQHSA-N 1 2 299.375 -1.336 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CC[C@@H]1CN(C)C(=O)CN1CN=NC1=O ZINC001233846125 780476978 /nfs/dbraw/zinc/47/69/78/780476978.db2.gz DRKCNYDFDAXVSI-RKDXNWHRSA-N 1 2 296.331 -1.610 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CC[C@@H]1CN(C)C(=O)CN1CN=NC1=O ZINC001233846125 780476982 /nfs/dbraw/zinc/47/69/82/780476982.db2.gz DRKCNYDFDAXVSI-RKDXNWHRSA-N 1 2 296.331 -1.610 20 0 CAADLO CNC(=O)CC(=O)N(C)C[C@@H]1CC[N@@H+]1[C@@H](C)C(=O)NC ZINC001233879094 780477002 /nfs/dbraw/zinc/47/70/02/780477002.db2.gz DPRIATBFKBZJHY-UWVGGRQHSA-N 1 2 284.360 -1.210 20 0 CAADLO CNC(=O)CC(=O)N(C)C[C@@H]1CC[N@H+]1[C@@H](C)C(=O)NC ZINC001233879094 780477005 /nfs/dbraw/zinc/47/70/05/780477005.db2.gz DPRIATBFKBZJHY-UWVGGRQHSA-N 1 2 284.360 -1.210 20 0 CAADLO CNC(=O)CC(=O)N(C)C[C@@H]1CC[N@@H+]1[C@H]1CCNC1=O ZINC001233897017 780477200 /nfs/dbraw/zinc/47/72/00/780477200.db2.gz AVACVDRGLAYYOT-UWVGGRQHSA-N 1 2 282.344 -1.456 20 0 CAADLO CNC(=O)CC(=O)N(C)C[C@@H]1CC[N@H+]1[C@H]1CCNC1=O ZINC001233897017 780477204 /nfs/dbraw/zinc/47/72/04/780477204.db2.gz AVACVDRGLAYYOT-UWVGGRQHSA-N 1 2 282.344 -1.456 20 0 CAADLO CNC(=O)CC(=O)N(C)C[C@H]1CC[N@@H+]1[C@@H](C)C(N)=O ZINC001233881876 780477420 /nfs/dbraw/zinc/47/74/20/780477420.db2.gz VGADARWNFIKRNZ-DTWKUNHWSA-N 1 2 270.333 -1.471 20 0 CAADLO CNC(=O)CC(=O)N(C)C[C@H]1CC[N@H+]1[C@@H](C)C(N)=O ZINC001233881876 780477424 /nfs/dbraw/zinc/47/74/24/780477424.db2.gz VGADARWNFIKRNZ-DTWKUNHWSA-N 1 2 270.333 -1.471 20 0 CAADLO CNC(=O)CC(=O)N(C)C[C@H]1CC[N@@H+]1CC(=O)NC1CC1 ZINC001233898324 780478183 /nfs/dbraw/zinc/47/81/83/780478183.db2.gz QEMPRZWJWWPILJ-LLVKDONJSA-N 1 2 296.371 -1.066 20 0 CAADLO CNC(=O)CC(=O)N(C)C[C@H]1CC[N@H+]1CC(=O)NC1CC1 ZINC001233898324 780478189 /nfs/dbraw/zinc/47/81/89/780478189.db2.gz QEMPRZWJWWPILJ-LLVKDONJSA-N 1 2 296.371 -1.066 20 0 CAADLO CNC(=O)CC(=O)N(C)C[C@@H]1CC[N@@H+]1CC(=O)NC1CC1 ZINC001233898326 780478671 /nfs/dbraw/zinc/47/86/71/780478671.db2.gz QEMPRZWJWWPILJ-NSHDSACASA-N 1 2 296.371 -1.066 20 0 CAADLO CNC(=O)CC(=O)N(C)C[C@@H]1CC[N@H+]1CC(=O)NC1CC1 ZINC001233898326 780478676 /nfs/dbraw/zinc/47/86/76/780478676.db2.gz QEMPRZWJWWPILJ-NSHDSACASA-N 1 2 296.371 -1.066 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)CCNC(=O)NC ZINC001234060766 780478783 /nfs/dbraw/zinc/47/87/83/780478783.db2.gz VCYIJFJYZAGSDI-SNVBAGLBSA-N 1 2 299.375 -1.416 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)CCNC(=O)NC ZINC001234060766 780478787 /nfs/dbraw/zinc/47/87/87/780478787.db2.gz VCYIJFJYZAGSDI-SNVBAGLBSA-N 1 2 299.375 -1.416 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)CCn1ccnn1 ZINC001233906902 780478860 /nfs/dbraw/zinc/47/88/60/780478860.db2.gz LUCLXYZBPCTBKW-NSHDSACASA-N 1 2 294.359 -1.053 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)CCn1ccnn1 ZINC001233906902 780478862 /nfs/dbraw/zinc/47/88/62/780478862.db2.gz LUCLXYZBPCTBKW-NSHDSACASA-N 1 2 294.359 -1.053 20 0 CAADLO CNC(=O)NCCC(=O)N(C)C[C@@H]1CC[N@@H+]1[C@H](C)C(N)=O ZINC001234111118 780479990 /nfs/dbraw/zinc/47/99/90/780479990.db2.gz HAYCJBPHYFMCBP-ZJUUUORDSA-N 1 2 299.375 -1.288 20 0 CAADLO CNC(=O)NCCC(=O)N(C)C[C@@H]1CC[N@H+]1[C@H](C)C(N)=O ZINC001234111118 780479997 /nfs/dbraw/zinc/47/99/97/780479997.db2.gz HAYCJBPHYFMCBP-ZJUUUORDSA-N 1 2 299.375 -1.288 20 0 CAADLO CNC(=O)NCCC(=O)N(C)C[C@H]1CC[N@@H+]1[C@H](C)C(N)=O ZINC001234111114 780480251 /nfs/dbraw/zinc/48/02/51/780480251.db2.gz HAYCJBPHYFMCBP-NXEZZACHSA-N 1 2 299.375 -1.288 20 0 CAADLO CNC(=O)NCCC(=O)N(C)C[C@H]1CC[N@H+]1[C@H](C)C(N)=O ZINC001234111114 780480254 /nfs/dbraw/zinc/48/02/54/780480254.db2.gz HAYCJBPHYFMCBP-NXEZZACHSA-N 1 2 299.375 -1.288 20 0 CAADLO CNC(=O)NCCC(=O)N(C)C[C@@H]1CC[N@@H+]1[C@@H](C)C(N)=O ZINC001234111116 780480451 /nfs/dbraw/zinc/48/04/51/780480451.db2.gz HAYCJBPHYFMCBP-UWVGGRQHSA-N 1 2 299.375 -1.288 20 0 CAADLO CNC(=O)NCCC(=O)N(C)C[C@@H]1CC[N@H+]1[C@@H](C)C(N)=O ZINC001234111116 780480455 /nfs/dbraw/zinc/48/04/55/780480455.db2.gz HAYCJBPHYFMCBP-UWVGGRQHSA-N 1 2 299.375 -1.288 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)Cn1ncnn1 ZINC001234357478 780481232 /nfs/dbraw/zinc/48/12/32/780481232.db2.gz SLXVTPBILVLOBM-SECBINFHSA-N 1 2 281.320 -2.048 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)Cn1ncnn1 ZINC001234357478 780481236 /nfs/dbraw/zinc/48/12/36/780481236.db2.gz SLXVTPBILVLOBM-SECBINFHSA-N 1 2 281.320 -2.048 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)C[C@@H](C)NC(N)=O ZINC001234275077 780481377 /nfs/dbraw/zinc/48/13/77/780481377.db2.gz BCFINHBPZZCNRO-ZJUUUORDSA-N 1 2 299.375 -1.288 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)C[C@@H](C)NC(N)=O ZINC001234275077 780481381 /nfs/dbraw/zinc/48/13/81/780481381.db2.gz BCFINHBPZZCNRO-ZJUUUORDSA-N 1 2 299.375 -1.288 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)C[C@@H](C)NC(N)=O ZINC001234275073 780482125 /nfs/dbraw/zinc/48/21/25/780482125.db2.gz BCFINHBPZZCNRO-NXEZZACHSA-N 1 2 299.375 -1.288 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)C[C@@H](C)NC(N)=O ZINC001234275073 780482128 /nfs/dbraw/zinc/48/21/28/780482128.db2.gz BCFINHBPZZCNRO-NXEZZACHSA-N 1 2 299.375 -1.288 20 0 CAADLO CN(C[C@@H]1CC[N@@H+]1[C@H]1CCNC1=O)C(=O)Cn1ncnn1 ZINC001234377195 780483943 /nfs/dbraw/zinc/48/39/43/780483943.db2.gz CRAXAXGJQZKUFC-UWVGGRQHSA-N 1 2 293.331 -1.906 20 0 CAADLO CN(C[C@@H]1CC[N@H+]1[C@H]1CCNC1=O)C(=O)Cn1ncnn1 ZINC001234377195 780483948 /nfs/dbraw/zinc/48/39/48/780483948.db2.gz CRAXAXGJQZKUFC-UWVGGRQHSA-N 1 2 293.331 -1.906 20 0 CAADLO CCNC(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)Cn1ncnn1 ZINC001234377063 780484081 /nfs/dbraw/zinc/48/40/81/780484081.db2.gz ATZZXCCTGCAADX-SNVBAGLBSA-N 1 2 295.347 -1.658 20 0 CAADLO CCNC(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)Cn1ncnn1 ZINC001234377063 780484085 /nfs/dbraw/zinc/48/40/85/780484085.db2.gz ATZZXCCTGCAADX-SNVBAGLBSA-N 1 2 295.347 -1.658 20 0 CAADLO CN(C[C@@H]1CC[N@@H+]1[C@@H]1CCNC1=O)C(=O)Cn1ncnn1 ZINC001234377197 780484284 /nfs/dbraw/zinc/48/42/84/780484284.db2.gz CRAXAXGJQZKUFC-VHSXEESVSA-N 1 2 293.331 -1.906 20 0 CAADLO CN(C[C@@H]1CC[N@H+]1[C@@H]1CCNC1=O)C(=O)Cn1ncnn1 ZINC001234377197 780484288 /nfs/dbraw/zinc/48/42/88/780484288.db2.gz CRAXAXGJQZKUFC-VHSXEESVSA-N 1 2 293.331 -1.906 20 0 CAADLO CN(C[C@H]1CC[N@@H+]1CCF)C(=O)Cn1cnc(C(N)=O)n1 ZINC001234414487 780485643 /nfs/dbraw/zinc/48/56/43/780485643.db2.gz PAACMMWMZLUGPO-SECBINFHSA-N 1 2 298.322 -1.121 20 0 CAADLO CN(C[C@H]1CC[N@H+]1CCF)C(=O)Cn1cnc(C(N)=O)n1 ZINC001234414487 780485644 /nfs/dbraw/zinc/48/56/44/780485644.db2.gz PAACMMWMZLUGPO-SECBINFHSA-N 1 2 298.322 -1.121 20 0 CAADLO CC(=O)NCC[N@@H+]1C[C@@H]2COC[C@H](C1)N2CC(=O)N(C)C ZINC001277905940 780487099 /nfs/dbraw/zinc/48/70/99/780487099.db2.gz OLFFSJHWEDKPBN-BETUJISGSA-N 1 2 298.387 -1.404 20 0 CAADLO CC(=O)NCC[N@H+]1C[C@@H]2COC[C@H](C1)N2CC(=O)N(C)C ZINC001277905940 780487103 /nfs/dbraw/zinc/48/71/03/780487103.db2.gz OLFFSJHWEDKPBN-BETUJISGSA-N 1 2 298.387 -1.404 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CC[C@@H]1CN(C)C(=O)Cn1nccn1 ZINC001234573753 780487487 /nfs/dbraw/zinc/48/74/87/780487487.db2.gz LXVFZECPVDHNMT-NXEZZACHSA-N 1 2 280.332 -1.315 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CC[C@@H]1CN(C)C(=O)Cn1nccn1 ZINC001234573753 780487493 /nfs/dbraw/zinc/48/74/93/780487493.db2.gz LXVFZECPVDHNMT-NXEZZACHSA-N 1 2 280.332 -1.315 20 0 CAADLO CCNC(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)Cn1nccn1 ZINC001234573350 780487790 /nfs/dbraw/zinc/48/77/90/780487790.db2.gz INKIILWKFBRGLT-NSHDSACASA-N 1 2 294.359 -1.053 20 0 CAADLO CCNC(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)Cn1nccn1 ZINC001234573350 780487794 /nfs/dbraw/zinc/48/77/94/780487794.db2.gz INKIILWKFBRGLT-NSHDSACASA-N 1 2 294.359 -1.053 20 0 CAADLO CC[C@@H](C(N)=O)[N@@H+]1CC[C@H]1CN(C)C(=O)CNC(=O)NC ZINC001235054928 780488437 /nfs/dbraw/zinc/48/84/37/780488437.db2.gz WUNQTZBIKHLMIG-UWVGGRQHSA-N 1 2 299.375 -1.288 20 0 CAADLO CC[C@@H](C(N)=O)[N@H+]1CC[C@H]1CN(C)C(=O)CNC(=O)NC ZINC001235054928 780488438 /nfs/dbraw/zinc/48/84/38/780488438.db2.gz WUNQTZBIKHLMIG-UWVGGRQHSA-N 1 2 299.375 -1.288 20 0 CAADLO CNC(=O)NCC(=O)N(C)C[C@@H]1CC[N@@H+]1[C@H](C)C(N)=O ZINC001235051031 780488649 /nfs/dbraw/zinc/48/86/49/780488649.db2.gz JKBSKWNYQPQOOG-BDAKNGLRSA-N 1 2 285.348 -1.678 20 0 CAADLO CNC(=O)NCC(=O)N(C)C[C@@H]1CC[N@H+]1[C@H](C)C(N)=O ZINC001235051031 780488656 /nfs/dbraw/zinc/48/86/56/780488656.db2.gz JKBSKWNYQPQOOG-BDAKNGLRSA-N 1 2 285.348 -1.678 20 0 CAADLO Cc1nonc1C[NH2+][C@@H](C)CN(C)C(=O)C(N)=O ZINC001277921793 780488839 /nfs/dbraw/zinc/48/88/39/780488839.db2.gz JRFVDKXBUSBIEJ-LURJTMIESA-N 1 2 255.278 -1.200 20 0 CAADLO CC[C@H](C(N)=O)[N@@H+]1CC[C@H]1CN(C)C(=O)CNC(=O)NC ZINC001235054932 780488990 /nfs/dbraw/zinc/48/89/90/780488990.db2.gz WUNQTZBIKHLMIG-VHSXEESVSA-N 1 2 299.375 -1.288 20 0 CAADLO CC[C@H](C(N)=O)[N@H+]1CC[C@H]1CN(C)C(=O)CNC(=O)NC ZINC001235054932 780488992 /nfs/dbraw/zinc/48/89/92/780488992.db2.gz WUNQTZBIKHLMIG-VHSXEESVSA-N 1 2 299.375 -1.288 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)CNC(=O)NC ZINC001235002114 780489043 /nfs/dbraw/zinc/48/90/43/780489043.db2.gz CRIDKMPELFPLQE-VIFPVBQESA-N 1 2 285.348 -1.806 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)CNC(=O)NC ZINC001235002114 780489052 /nfs/dbraw/zinc/48/90/52/780489052.db2.gz CRIDKMPELFPLQE-VIFPVBQESA-N 1 2 285.348 -1.806 20 0 CAADLO CNC(=O)NCC(=O)N(C)C[C@H]1CC[N@@H+]1[C@H](C)C(N)=O ZINC001235051042 780489396 /nfs/dbraw/zinc/48/93/96/780489396.db2.gz JKBSKWNYQPQOOG-RKDXNWHRSA-N 1 2 285.348 -1.678 20 0 CAADLO CNC(=O)NCC(=O)N(C)C[C@H]1CC[N@H+]1[C@H](C)C(N)=O ZINC001235051042 780489402 /nfs/dbraw/zinc/48/94/02/780489402.db2.gz JKBSKWNYQPQOOG-RKDXNWHRSA-N 1 2 285.348 -1.678 20 0 CAADLO CCNC(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)CNC(=O)NC ZINC001235022771 780489514 /nfs/dbraw/zinc/48/95/14/780489514.db2.gz DCNKMWLLRSMQLD-JTQLQIEISA-N 1 2 299.375 -1.416 20 0 CAADLO CCNC(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)CNC(=O)NC ZINC001235022771 780489519 /nfs/dbraw/zinc/48/95/19/780489519.db2.gz DCNKMWLLRSMQLD-JTQLQIEISA-N 1 2 299.375 -1.416 20 0 CAADLO CNC(=O)NCC(=O)N(C)C[C@H]1CC[N@@H+]1[C@H]1CCNC1=O ZINC001235051123 780489547 /nfs/dbraw/zinc/48/95/47/780489547.db2.gz KGXJQKKZYKFMLK-ZJUUUORDSA-N 1 2 297.359 -1.663 20 0 CAADLO CNC(=O)NCC(=O)N(C)C[C@H]1CC[N@H+]1[C@H]1CCNC1=O ZINC001235051123 780489552 /nfs/dbraw/zinc/48/95/52/780489552.db2.gz KGXJQKKZYKFMLK-ZJUUUORDSA-N 1 2 297.359 -1.663 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1CC[C@H]1CN(C)C(=O)C(C)(C)C(N)=O ZINC001235590078 780491778 /nfs/dbraw/zinc/49/17/78/780491778.db2.gz XBYXOJVWWSHRLP-BDAKNGLRSA-N 1 2 284.360 -1.096 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1CC[C@H]1CN(C)C(=O)C(C)(C)C(N)=O ZINC001235590078 780491784 /nfs/dbraw/zinc/49/17/84/780491784.db2.gz XBYXOJVWWSHRLP-BDAKNGLRSA-N 1 2 284.360 -1.096 20 0 CAADLO CN(C[C@@H]1CC[N@@H+]1[C@H]1CCNC1=O)C(=O)C(C)(C)C(N)=O ZINC001235615817 780492065 /nfs/dbraw/zinc/49/20/65/780492065.db2.gz HPVKWRGFHSPYGI-UWVGGRQHSA-N 1 2 296.371 -1.081 20 0 CAADLO CN(C[C@@H]1CC[N@H+]1[C@H]1CCNC1=O)C(=O)C(C)(C)C(N)=O ZINC001235615817 780492068 /nfs/dbraw/zinc/49/20/68/780492068.db2.gz HPVKWRGFHSPYGI-UWVGGRQHSA-N 1 2 296.371 -1.081 20 0 CAADLO C[C@@H](O)C[N@@H+]1C[C@@H]2COC[C@H](C1)N2S(=O)(=O)N(C)C ZINC001277963915 780494587 /nfs/dbraw/zinc/49/45/87/780494587.db2.gz YMZKMWFNVKDXAJ-MXWKQRLJSA-N 1 2 293.389 -1.441 20 0 CAADLO C[C@@H](O)C[N@H+]1C[C@@H]2COC[C@H](C1)N2S(=O)(=O)N(C)C ZINC001277963915 780494589 /nfs/dbraw/zinc/49/45/89/780494589.db2.gz YMZKMWFNVKDXAJ-MXWKQRLJSA-N 1 2 293.389 -1.441 20 0 CAADLO NC(=O)CN1C[C@@H]2COC[C@H](C1)N2CCn1cc[nH+]c1 ZINC001277981023 780496680 /nfs/dbraw/zinc/49/66/80/780496680.db2.gz FKKDWOOJGIINTH-TXEJJXNPSA-N 1 2 279.344 -1.247 20 0 CAADLO CN(C)S(=O)(=O)N1CC2(C1)CCC[N@H+](CC(N)=O)C2 ZINC001277985584 780497487 /nfs/dbraw/zinc/49/74/87/780497487.db2.gz IIBFNVVCZPAAGK-UHFFFAOYSA-N 1 2 290.389 -1.324 20 0 CAADLO CN(C)S(=O)(=O)N1CC2(C1)CCC[N@@H+](CC(N)=O)C2 ZINC001277985584 780497494 /nfs/dbraw/zinc/49/74/94/780497494.db2.gz IIBFNVVCZPAAGK-UHFFFAOYSA-N 1 2 290.389 -1.324 20 0 CAADLO CN(C)C(=O)C[N@H+]1C[C@H]2CC[C@@H](C1)N2CC(N)=O ZINC001277982512 780497738 /nfs/dbraw/zinc/49/77/38/780497738.db2.gz XUOZNKFYQGMJBQ-AOOOYVTPSA-N 1 2 254.334 -1.292 20 0 CAADLO CN(C)C(=O)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2CC(N)=O ZINC001277982512 780497741 /nfs/dbraw/zinc/49/77/41/780497741.db2.gz XUOZNKFYQGMJBQ-AOOOYVTPSA-N 1 2 254.334 -1.292 20 0 CAADLO CN(C)S(=O)(=O)N1CC[C@H]2[C@@H]1CC[N@@H+]2CC(N)=O ZINC001277986191 780497946 /nfs/dbraw/zinc/49/79/46/780497946.db2.gz VWJWLQPULPIBIZ-IUCAKERBSA-N 1 2 276.362 -1.573 20 0 CAADLO CN(C)S(=O)(=O)N1CC[C@H]2[C@@H]1CC[N@H+]2CC(N)=O ZINC001277986191 780497950 /nfs/dbraw/zinc/49/79/50/780497950.db2.gz VWJWLQPULPIBIZ-IUCAKERBSA-N 1 2 276.362 -1.573 20 0 CAADLO CC[C@@H](C(N)=O)[N@@H+]1C[C@@H]2OCCN(CC(=O)N(C)C)[C@H]2C1 ZINC001278029392 780498885 /nfs/dbraw/zinc/49/88/85/780498885.db2.gz RSQYSFPVRIZOOD-SRVKXCTJSA-N 1 2 298.387 -1.277 20 0 CAADLO CC[C@@H](C(N)=O)[N@H+]1C[C@@H]2OCCN(CC(=O)N(C)C)[C@H]2C1 ZINC001278029392 780498889 /nfs/dbraw/zinc/49/88/89/780498889.db2.gz RSQYSFPVRIZOOD-SRVKXCTJSA-N 1 2 298.387 -1.277 20 0 CAADLO CC[C@H](C(N)=O)[NH+]1CC2(CN(C(=O)c3ncnn3C)C2)C1 ZINC001278029904 780499018 /nfs/dbraw/zinc/49/90/18/780499018.db2.gz XMNDWQNOJSAHBZ-SECBINFHSA-N 1 2 292.343 -1.163 20 0 CAADLO NC(=O)CC(=O)NC[C@H](CO)[NH2+]Cc1coc(C2CC2)n1 ZINC001278054471 780501724 /nfs/dbraw/zinc/50/17/24/780501724.db2.gz RHYORIWTQASFKI-SECBINFHSA-N 1 2 296.327 -1.006 20 0 CAADLO Cn1ncnc1C[NH2+][C@@H](CO)CNC(=O)C(=O)C(C)(C)C ZINC001278054595 780502093 /nfs/dbraw/zinc/50/20/93/780502093.db2.gz UFKLRDYQVSYWCQ-SECBINFHSA-N 1 2 297.359 -1.003 20 0 CAADLO CC(C)n1cc(C[NH2+][C@@H](CO)CNC(=O)CC(N)=O)nn1 ZINC001278061046 780503042 /nfs/dbraw/zinc/50/30/42/780503042.db2.gz IDZRBPRVHCSZSO-SNVBAGLBSA-N 1 2 298.347 -1.699 20 0 CAADLO Cn1ncnc1C[NH2+][C@@H](CO)CNC(=O)CC(N)=O ZINC001278061946 780503242 /nfs/dbraw/zinc/50/32/42/780503242.db2.gz ODOGUXCDQDZTJY-SSDOTTSWSA-N 1 2 270.293 -2.743 20 0 CAADLO O=C(CCc1nc[nH]n1)NC[C@H](CO)[NH2+]CCF ZINC001278061774 780503381 /nfs/dbraw/zinc/50/33/81/780503381.db2.gz NYFUXNYGBMVJPT-MRVPVSSYSA-N 1 2 259.285 -1.227 20 0 CAADLO Cn1nnnc1NC(=O)[C@@H]1[C@@H]2CC[C@@H](C[C@H]2O)[N@@H+]1C ZINC001278090587 780505931 /nfs/dbraw/zinc/50/59/31/780505931.db2.gz QHMDSQCFQVQVLO-KDXUFGMBSA-N 1 2 266.305 -1.008 20 0 CAADLO Cn1nnnc1NC(=O)[C@@H]1[C@@H]2CC[C@@H](C[C@H]2O)[N@H+]1C ZINC001278090587 780505937 /nfs/dbraw/zinc/50/59/37/780505937.db2.gz QHMDSQCFQVQVLO-KDXUFGMBSA-N 1 2 266.305 -1.008 20 0 CAADLO Cn1ncnc1C[NH2+][C@@H](CO)CNC(=O)[C@H]1CCNC1=O ZINC001278127660 780507964 /nfs/dbraw/zinc/50/79/64/780507964.db2.gz CBVJIPQDDCQBGO-BDAKNGLRSA-N 1 2 296.331 -2.482 20 0 CAADLO Cc1nc(C[NH2+][C@H](CO)CNC(=O)[C@@H]2CCNC2=O)co1 ZINC001278129318 780508259 /nfs/dbraw/zinc/50/82/59/780508259.db2.gz LPGPKLWMQIWOBF-GXSJLCMTSA-N 1 2 296.327 -1.314 20 0 CAADLO Cc1nc(C[NH2+][C@H](CO)CNC(=O)[C@H]2CCNC2=O)co1 ZINC001278129323 780508291 /nfs/dbraw/zinc/50/82/91/780508291.db2.gz LPGPKLWMQIWOBF-ONGXEEELSA-N 1 2 296.327 -1.314 20 0 CAADLO Cn1cc(C[NH2+][C@H](CO)CNC(=O)C(N)=O)nn1 ZINC001278147258 780509785 /nfs/dbraw/zinc/50/97/85/780509785.db2.gz KNEVPAMLXLXFLE-ZETCQYMHSA-N 1 2 256.266 -3.133 20 0 CAADLO Cn1cc(C[NH2+][C@@H](CO)CNC(=O)C(N)=O)nn1 ZINC001278147251 780510026 /nfs/dbraw/zinc/51/00/26/780510026.db2.gz KNEVPAMLXLXFLE-SSDOTTSWSA-N 1 2 256.266 -3.133 20 0 CAADLO CC[N@H+]1C[C@@H]2C(C(=O)NCCS(C)(=O)=O)=NO[C@@H]2C1 ZINC001278160265 780511087 /nfs/dbraw/zinc/51/10/87/780511087.db2.gz IRLXYZJGLMPPMJ-DTWKUNHWSA-N 1 2 289.357 -1.146 20 0 CAADLO CC[N@@H+]1C[C@@H]2C(C(=O)NCCS(C)(=O)=O)=NO[C@@H]2C1 ZINC001278160265 780511093 /nfs/dbraw/zinc/51/10/93/780511093.db2.gz IRLXYZJGLMPPMJ-DTWKUNHWSA-N 1 2 289.357 -1.146 20 0 CAADLO O=C(CCc1cnn[nH]1)NC[C@H](CO)[NH2+]CCF ZINC001278155157 780511780 /nfs/dbraw/zinc/51/17/80/780511780.db2.gz NIVHLBSWUJKIEL-SECBINFHSA-N 1 2 259.285 -1.227 20 0 CAADLO CCOCCS(=O)(=O)N[C@@H]1C[NH2+]CCC1=O ZINC001238628968 780519965 /nfs/dbraw/zinc/51/99/65/780519965.db2.gz WHMBBAGMFFWSSH-MRVPVSSYSA-N 1 2 250.320 -1.127 20 0 CAADLO COC(=O)CS(=O)(=O)N[C@@H]1C[NH2+]CCC1=O ZINC001238629570 780520016 /nfs/dbraw/zinc/52/00/16/780520016.db2.gz ZVVBLNNVFDVJBL-ZCFIWIBFSA-N 1 2 250.276 -1.990 20 0 CAADLO Cc1ncc(S(=O)(=O)N[C@H]2C[NH2+]CCC2=O)n1C ZINC001238627392 780520029 /nfs/dbraw/zinc/52/00/29/780520029.db2.gz ZNNWNLVXMIZSAO-QMMMGPOBSA-N 1 2 272.330 -1.062 20 0 CAADLO Cc1ncc(S(=O)(=O)N[C@@H]2C[NH2+]CCC2=O)n1C ZINC001238627389 780520268 /nfs/dbraw/zinc/52/02/68/780520268.db2.gz ZNNWNLVXMIZSAO-MRVPVSSYSA-N 1 2 272.330 -1.062 20 0 CAADLO CCOC(=O)CS(=O)(=O)N[C@@H]1C[NH2+]CCC1=O ZINC001238626696 780520575 /nfs/dbraw/zinc/52/05/75/780520575.db2.gz IAGBGNZDSGEFRL-SSDOTTSWSA-N 1 2 264.303 -1.600 20 0 CAADLO CCOC(=O)[C@H]([NH3+])CNS(=O)(=O)c1cnn(C)c1 ZINC001238838991 780523585 /nfs/dbraw/zinc/52/35/85/780523585.db2.gz BGKUQJZFGHOJFF-MRVPVSSYSA-N 1 2 276.318 -1.411 20 0 CAADLO O=C1CCNC[C@@H]1[NH2+]C[C@@H](O)CN1CCOCC1 ZINC001245998989 780538879 /nfs/dbraw/zinc/53/88/79/780538879.db2.gz VTMWOOOYMQGNJJ-MNOVXSKESA-N 1 2 257.334 -1.800 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@](C)(NC(=O)C(=O)NCC2CC2)C1 ZINC001278433620 780545703 /nfs/dbraw/zinc/54/57/03/780545703.db2.gz LIVKUCLTSKUHKR-CQSZACIVSA-N 1 2 296.371 -1.161 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@](C)(NC(=O)C(=O)NCC2CC2)C1 ZINC001278433620 780545708 /nfs/dbraw/zinc/54/57/08/780545708.db2.gz LIVKUCLTSKUHKR-CQSZACIVSA-N 1 2 296.371 -1.161 20 0 CAADLO COC(=O)[C@@H]1C[C@H](NCc2noc(C(=O)N(C)C)n2)C[NH2+]1 ZINC001246179374 780546827 /nfs/dbraw/zinc/54/68/27/780546827.db2.gz MLMQJAXNAACHBV-YUMQZZPRSA-N 1 2 297.315 -1.236 20 0 CAADLO COC(=O)[C@@H]1C[C@@H](NC2(C(=O)OC)COC2)C[NH2+]1 ZINC001246221961 780547972 /nfs/dbraw/zinc/54/79/72/780547972.db2.gz GYQFKZMFRVRVQF-SFYZADRCSA-N 1 2 258.274 -1.579 20 0 CAADLO COC(=O)[C@@H]1C[C@@H](NCc2noc(C(N)=O)n2)C[NH2+]1 ZINC001246239899 780549300 /nfs/dbraw/zinc/54/93/00/780549300.db2.gz DZSKLZWJWXMPSF-RITPCOANSA-N 1 2 269.261 -1.838 20 0 CAADLO COC(=O)[C@@H]1C[C@@H](Nc2cc(=O)[nH]c(=O)n2C)C[NH2+]1 ZINC001246236851 780550116 /nfs/dbraw/zinc/55/01/16/780550116.db2.gz BEMXGGPJWZMNKU-RQJHMYQMSA-N 1 2 268.273 -1.199 20 0 CAADLO COC(=O)[C@@H]1C[C@@H]([NH2+][C@H]2CNCCC2=O)CCN1 ZINC001246293289 780550914 /nfs/dbraw/zinc/55/09/14/780550914.db2.gz PLWMQLYKNNNFLE-GUBZILKMSA-N 1 2 255.318 -1.199 20 0 CAADLO COC(=O)c1ncc(=O)[nH]c1N[C@H]1C[NH2+][C@H](C(=O)OC)C1 ZINC001246282103 780551253 /nfs/dbraw/zinc/55/12/53/780551253.db2.gz AKSBLVTWWCCJJH-RQJHMYQMSA-N 1 2 296.283 -1.128 20 0 CAADLO COC(=O)[C@@H](CC(N)=O)N[C@H]1C[NH2+][C@H](C(=O)OC)C1 ZINC001246355836 780552098 /nfs/dbraw/zinc/55/20/98/780552098.db2.gz DTNYQFHJQZDVTJ-GJMOJQLCSA-N 1 2 273.289 -2.104 20 0 CAADLO COC(=O)[C@H](CON)N[C@H]1C[NH2+][C@H](C(=O)OC)C1 ZINC001246498651 780555371 /nfs/dbraw/zinc/55/53/71/780555371.db2.gz ZVDBQHFNIHYRES-CSMHCCOUSA-N 1 2 261.278 -2.089 20 0 CAADLO COC(=O)[C@@H](CON)N[C@H]1C[NH2+][C@H](C(=O)OC)C1 ZINC001246498657 780555532 /nfs/dbraw/zinc/55/55/32/780555532.db2.gz ZVDBQHFNIHYRES-GJMOJQLCSA-N 1 2 261.278 -2.089 20 0 CAADLO COC(=O)[C@@H]1C[C@@H](N[C@]2(C(=O)OC)CCOC2)C[NH2+]1 ZINC001246493942 780555657 /nfs/dbraw/zinc/55/56/57/780555657.db2.gz GUUSPZBQFOABBQ-VDDIYKPWSA-N 1 2 272.301 -1.188 20 0 CAADLO COC(=O)[C@@H]1C[C@@H](N[C@@]2(C(=O)OC)CCOC2)C[NH2+]1 ZINC001246493941 780555808 /nfs/dbraw/zinc/55/58/08/780555808.db2.gz GUUSPZBQFOABBQ-PTRXPTGYSA-N 1 2 272.301 -1.188 20 0 CAADLO COC(=O)[C@@H]1C[C@H](N(C)CC(=O)N2CCOCC2)C[NH2+]1 ZINC001246527251 780557354 /nfs/dbraw/zinc/55/73/54/780557354.db2.gz MCPAWTTZLZKYKK-QWRGUYRKSA-N 1 2 285.344 -1.320 20 0 CAADLO COC(=O)[C@@H]1CC[C@@H]([NH+]2CCN(CC(N)=O)CC2)CN1 ZINC001246848269 780562725 /nfs/dbraw/zinc/56/27/25/780562725.db2.gz YAQKOHHZJKWKJN-MNOVXSKESA-N 1 2 284.360 -1.617 20 0 CAADLO COC(=O)[C@@H]1C[C@@H](N2CCNC(=O)[C@H]2C(=O)OC)C[NH2+]1 ZINC001247005578 780565836 /nfs/dbraw/zinc/56/58/36/780565836.db2.gz SGQUIXNUSYEUMT-VGMNWLOBSA-N 1 2 285.300 -2.137 20 0 CAADLO COC(=O)[C@@H](O)C[N@H+]1CCN(C)[C@H](C(=O)OC)C1 ZINC001252427871 780586609 /nfs/dbraw/zinc/58/66/09/780586609.db2.gz LLKUQGIITKTHPS-IUCAKERBSA-N 1 2 260.290 -1.691 20 0 CAADLO O=C1O[C@H]2C[C@@H]1N(C[C@H](O)C[NH+]1CCOCC1)C2 ZINC001251024617 780569474 /nfs/dbraw/zinc/56/94/74/780569474.db2.gz QBOWJUDBZCFFSE-VWYCJHECSA-N 1 2 256.302 -1.321 20 0 CAADLO CNC(=O)c1nccnc1NC[C@@H](O)C[NH+]1CCOCC1 ZINC001251010801 780569668 /nfs/dbraw/zinc/56/96/68/780569668.db2.gz DABQKVNZELWAJX-SNVBAGLBSA-N 1 2 295.343 -1.059 20 0 CAADLO O=C1CN(C[C@@H](O)C[NH+]2CCOCC2)C[C@@H]2CCCN12 ZINC001251018302 780569886 /nfs/dbraw/zinc/56/98/86/780569886.db2.gz FUVRROROWOECHF-STQMWFEESA-N 1 2 283.372 -1.014 20 0 CAADLO O=C1C[N@H+](C[C@@H](O)CN2CCOCC2)C[C@@H]2CCCN12 ZINC001251018302 780569892 /nfs/dbraw/zinc/56/98/92/780569892.db2.gz FUVRROROWOECHF-STQMWFEESA-N 1 2 283.372 -1.014 20 0 CAADLO O=C1C[N@@H+](C[C@@H](O)CN2CCOCC2)C[C@@H]2CCCN12 ZINC001251018302 780569897 /nfs/dbraw/zinc/56/98/97/780569897.db2.gz FUVRROROWOECHF-STQMWFEESA-N 1 2 283.372 -1.014 20 0 CAADLO O=C1CN(C[C@H](O)C[NH+]2CCOCC2)C[C@H]2CCCN12 ZINC001251018294 780570304 /nfs/dbraw/zinc/57/03/04/780570304.db2.gz FUVRROROWOECHF-CHWSQXEVSA-N 1 2 283.372 -1.014 20 0 CAADLO O=C1C[N@H+](C[C@H](O)CN2CCOCC2)C[C@H]2CCCN12 ZINC001251018294 780570309 /nfs/dbraw/zinc/57/03/09/780570309.db2.gz FUVRROROWOECHF-CHWSQXEVSA-N 1 2 283.372 -1.014 20 0 CAADLO O=C1C[N@@H+](C[C@H](O)CN2CCOCC2)C[C@H]2CCCN12 ZINC001251018294 780570314 /nfs/dbraw/zinc/57/03/14/780570314.db2.gz FUVRROROWOECHF-CHWSQXEVSA-N 1 2 283.372 -1.014 20 0 CAADLO C[C@@H]1CNC(=O)CN1C[C@H](O)C[NH+]1CCOCC1 ZINC001251021455 780570352 /nfs/dbraw/zinc/57/03/52/780570352.db2.gz MCWWLJHGSPTPCF-GHMZBOCLSA-N 1 2 257.334 -1.500 20 0 CAADLO C[C@@H]1CN(C[C@@H](O)C[NH+]2CCOCC2)CC(=O)N1 ZINC001251011478 780570587 /nfs/dbraw/zinc/57/05/87/780570587.db2.gz LBYMVKGPINWEIH-MNOVXSKESA-N 1 2 257.334 -1.500 20 0 CAADLO Cc1cc(NC[C@@H](O)C[NH+]2CCOCC2)n(N)c(=O)c1 ZINC001251040495 780571234 /nfs/dbraw/zinc/57/12/34/780571234.db2.gz TYOYXCIZEHLZRO-LLVKDONJSA-N 1 2 282.344 -1.024 20 0 CAADLO COC(=O)C1(NC[C@@H](O)C[NH+]2CCOCC2)COC1 ZINC001251038471 780571535 /nfs/dbraw/zinc/57/15/35/780571535.db2.gz XDRJYAPKRLYGPG-SNVBAGLBSA-N 1 2 274.317 -1.789 20 0 CAADLO Cc1ncc(NC[C@@H](O)C[NH+]2CCOCC2)c(=O)[nH]1 ZINC001251045240 780572805 /nfs/dbraw/zinc/57/28/05/780572805.db2.gz FZCYIGXFJJXKHP-MNOVXSKESA-N 1 2 268.317 -1.333 20 0 CAADLO Cc1ncc(NC[C@@H](O)C[NH+]2CCOCC2)c(=O)[nH]1 ZINC001251045239 780572900 /nfs/dbraw/zinc/57/29/00/780572900.db2.gz FZCYIGXFJJXKHP-GHMZBOCLSA-N 1 2 268.317 -1.333 20 0 CAADLO Cc1ncc(NC[C@H](O)C[NH+]2CCOCC2)c(=O)[nH]1 ZINC001251045242 780573298 /nfs/dbraw/zinc/57/32/98/780573298.db2.gz FZCYIGXFJJXKHP-WDEREUQCSA-N 1 2 268.317 -1.333 20 0 CAADLO CC1(C)COCC[N@@H+]1CCNC(=O)CN1C(=O)CNC1=O ZINC001251590799 780575978 /nfs/dbraw/zinc/57/59/78/780575978.db2.gz YUHRUBCXQGYYJR-UHFFFAOYSA-N 1 2 298.343 -1.235 20 0 CAADLO CC1(C)COCC[N@H+]1CCNC(=O)CN1C(=O)CNC1=O ZINC001251590799 780575982 /nfs/dbraw/zinc/57/59/82/780575982.db2.gz YUHRUBCXQGYYJR-UHFFFAOYSA-N 1 2 298.343 -1.235 20 0 CAADLO C[C@H](O)C[NH2+]CCC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)[O-] ZINC001251971419 780580049 /nfs/dbraw/zinc/58/00/49/780580049.db2.gz FXOZGCQMESXMMH-WPRPVWTQSA-N 1 2 284.316 -1.118 20 0 CAADLO C[C@H](O)C[NH2+]CCC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)[O-] ZINC001251971419 780580054 /nfs/dbraw/zinc/58/00/54/780580054.db2.gz FXOZGCQMESXMMH-WPRPVWTQSA-N 1 2 284.316 -1.118 20 0 CAADLO OC[C@@H](O)C[N@@H+]1CCOC[C@](O)(C(F)(F)F)C1 ZINC001252057153 780581033 /nfs/dbraw/zinc/58/10/33/780581033.db2.gz WBDQZZDCPVKWSC-YUMQZZPRSA-N 1 2 259.224 -1.035 20 0 CAADLO OC[C@@H](O)C[N@H+]1CCOC[C@](O)(C(F)(F)F)C1 ZINC001252057153 780581037 /nfs/dbraw/zinc/58/10/37/780581037.db2.gz WBDQZZDCPVKWSC-YUMQZZPRSA-N 1 2 259.224 -1.035 20 0 CAADLO COC(=O)[C@@H]1C[C@@H]2COC[C@H](C1)[N@@H+]2C[C@H](O)CO ZINC001252061328 780582552 /nfs/dbraw/zinc/58/25/52/780582552.db2.gz GFKGLFRHWOUXLC-MMWGEVLESA-N 1 2 259.302 -1.008 20 0 CAADLO COC(=O)[C@@H]1C[C@@H]2COC[C@H](C1)[N@H+]2C[C@H](O)CO ZINC001252061328 780582553 /nfs/dbraw/zinc/58/25/53/780582553.db2.gz GFKGLFRHWOUXLC-MMWGEVLESA-N 1 2 259.302 -1.008 20 0 CAADLO COC(=O)[C@@H](Cc1c[nH+]cn1C)NC[C@H](O)CO ZINC001252073272 780582895 /nfs/dbraw/zinc/58/28/95/780582895.db2.gz DRAAMZNAVHCWAF-VHSXEESVSA-N 1 2 257.290 -1.553 20 0 CAADLO CN(C)C(=O)c1[nH]nc2c1C[N@H+](C[C@H](O)CO)CC2 ZINC001252059626 780582958 /nfs/dbraw/zinc/58/29/58/780582958.db2.gz FIYKCVZPHXCISY-QMMMGPOBSA-N 1 2 268.317 -1.177 20 0 CAADLO CN(C)C(=O)c1[nH]nc2c1C[N@@H+](C[C@H](O)CO)CC2 ZINC001252059626 780582961 /nfs/dbraw/zinc/58/29/61/780582961.db2.gz FIYKCVZPHXCISY-QMMMGPOBSA-N 1 2 268.317 -1.177 20 0 CAADLO CCOC(=O)[C@H](Cc1c[nH]c[nH+]1)NC[C@H](O)CO ZINC001252075467 780583734 /nfs/dbraw/zinc/58/37/34/780583734.db2.gz NOSSMYMDJOLMIU-UWVGGRQHSA-N 1 2 257.290 -1.173 20 0 CAADLO CCOC(=O)[C@H](Cc1c[nH+]c[nH]1)NC[C@H](O)CO ZINC001252075467 780583739 /nfs/dbraw/zinc/58/37/39/780583739.db2.gz NOSSMYMDJOLMIU-UWVGGRQHSA-N 1 2 257.290 -1.173 20 0 CAADLO COC(=O)[C@H](O)C[NH+]1CCN([C@@H]2CCOC2)CC1 ZINC001252408280 780584432 /nfs/dbraw/zinc/58/44/32/780584432.db2.gz ZTZKIZFPZMZINV-GHMZBOCLSA-N 1 2 258.318 -1.073 20 0 CAADLO CCOC(=O)CN1CC[NH+](C[C@@H](O)C(=O)OC)CC1 ZINC001252407554 780584611 /nfs/dbraw/zinc/58/46/11/780584611.db2.gz IYPVCCVEYALDFN-SNVBAGLBSA-N 1 2 274.317 -1.299 20 0 CAADLO COC(=O)[C@H](O)C[N@@H+]1CCC[C@@H](NC(=O)C[NH+](C)C)C1 ZINC001252423520 780585083 /nfs/dbraw/zinc/58/50/83/780585083.db2.gz RHFNKOBBJXWRSA-GHMZBOCLSA-N 1 2 287.360 -1.338 20 0 CAADLO COC(=O)[C@H](O)CN1CCC[C@@H](NC(=O)C[NH+](C)C)C1 ZINC001252423520 780585096 /nfs/dbraw/zinc/58/50/96/780585096.db2.gz RHFNKOBBJXWRSA-GHMZBOCLSA-N 1 2 287.360 -1.338 20 0 CAADLO COC(=O)[C@H](O)C[N@@H+]1CCC[C@@H](NC(=O)CN(C)C)C1 ZINC001252423520 780585103 /nfs/dbraw/zinc/58/51/03/780585103.db2.gz RHFNKOBBJXWRSA-GHMZBOCLSA-N 1 2 287.360 -1.338 20 0 CAADLO COC(=O)[C@H](O)C[N@H+]1CCC[C@@H](NC(=O)CN(C)C)C1 ZINC001252423520 780585105 /nfs/dbraw/zinc/58/51/05/780585105.db2.gz RHFNKOBBJXWRSA-GHMZBOCLSA-N 1 2 287.360 -1.338 20 0 CAADLO COC(=O)[C@@H](O)C[N@@H+]1CCC[C@@H](NC(=O)C[NH+](C)C)C1 ZINC001252423521 780585576 /nfs/dbraw/zinc/58/55/76/780585576.db2.gz RHFNKOBBJXWRSA-MNOVXSKESA-N 1 2 287.360 -1.338 20 0 CAADLO COC(=O)[C@@H](O)CN1CCC[C@@H](NC(=O)C[NH+](C)C)C1 ZINC001252423521 780585584 /nfs/dbraw/zinc/58/55/84/780585584.db2.gz RHFNKOBBJXWRSA-MNOVXSKESA-N 1 2 287.360 -1.338 20 0 CAADLO COC(=O)[C@@H](O)C[N@@H+]1CCC[C@@H](NC(=O)CN(C)C)C1 ZINC001252423521 780585589 /nfs/dbraw/zinc/58/55/89/780585589.db2.gz RHFNKOBBJXWRSA-MNOVXSKESA-N 1 2 287.360 -1.338 20 0 CAADLO COC(=O)[C@@H](O)C[N@H+]1CCC[C@@H](NC(=O)CN(C)C)C1 ZINC001252423521 780585593 /nfs/dbraw/zinc/58/55/93/780585593.db2.gz RHFNKOBBJXWRSA-MNOVXSKESA-N 1 2 287.360 -1.338 20 0 CAADLO COC(=O)[C@@H](O)CN[C@@H](Cc1c[nH]c[nH+]1)C(=O)OC ZINC001252436638 780586359 /nfs/dbraw/zinc/58/63/59/780586359.db2.gz ZZSBLHWIUACRFB-IUCAKERBSA-N 1 2 271.273 -1.383 20 0 CAADLO COC(=O)[C@@H](O)CN[C@@H](Cc1c[nH+]c[nH]1)C(=O)OC ZINC001252436638 780586366 /nfs/dbraw/zinc/58/63/66/780586366.db2.gz ZZSBLHWIUACRFB-IUCAKERBSA-N 1 2 271.273 -1.383 20 0 CAADLO COC(=O)[C@H](O)C[NH2+]CCNC(=O)C(F)(F)F ZINC001252436734 780586491 /nfs/dbraw/zinc/58/64/91/780586491.db2.gz JWJQBHJLJODQIA-RXMQYKEDSA-N 1 2 258.196 -1.212 20 0 CAADLO COC(=O)[C@@H](O)C[N@@H+]1CCN(C)[C@H](C(=O)OC)C1 ZINC001252427871 780586603 /nfs/dbraw/zinc/58/66/03/780586603.db2.gz LLKUQGIITKTHPS-IUCAKERBSA-N 1 2 260.290 -1.691 20 0 CAADLO COC(=O)[C@H](O)CN[C@H](Cc1c[nH]c[nH+]1)C(=O)OC ZINC001252454299 780587481 /nfs/dbraw/zinc/58/74/81/780587481.db2.gz ZZSBLHWIUACRFB-RKDXNWHRSA-N 1 2 271.273 -1.383 20 0 CAADLO COC(=O)[C@H](O)CN[C@H](Cc1c[nH+]c[nH]1)C(=O)OC ZINC001252454299 780587485 /nfs/dbraw/zinc/58/74/85/780587485.db2.gz ZZSBLHWIUACRFB-RKDXNWHRSA-N 1 2 271.273 -1.383 20 0 CAADLO COc1cccc(OC[C@H](O)C[NH2+]C(C(N)=O)C(N)=O)c1 ZINC001253971389 780597715 /nfs/dbraw/zinc/59/77/15/780597715.db2.gz GFXNQRRFWNKXHJ-MRVPVSSYSA-N 1 2 297.311 -1.636 20 0 CAADLO CC(=O)NC[C@@]1(O)CC[N@@H+](Cc2cn(C)nn2)C1 ZINC001278752771 780598131 /nfs/dbraw/zinc/59/81/31/780598131.db2.gz MSNCDQNACTWDEW-NSHDSACASA-N 1 2 253.306 -1.112 20 0 CAADLO CC(=O)NC[C@@]1(O)CC[N@H+](Cc2cn(C)nn2)C1 ZINC001278752771 780598139 /nfs/dbraw/zinc/59/81/39/780598139.db2.gz MSNCDQNACTWDEW-NSHDSACASA-N 1 2 253.306 -1.112 20 0 CAADLO Cc1nnc(C[N@@H+]2CC[C@](O)(CNC(=O)CC(N)=O)C2)o1 ZINC001278765787 780599762 /nfs/dbraw/zinc/59/97/62/780599762.db2.gz CFVSEOQRIGCLSD-LBPRGKRZSA-N 1 2 297.315 -1.694 20 0 CAADLO Cc1nnc(C[N@H+]2CC[C@](O)(CNC(=O)CC(N)=O)C2)o1 ZINC001278765787 780599766 /nfs/dbraw/zinc/59/97/66/780599766.db2.gz CFVSEOQRIGCLSD-LBPRGKRZSA-N 1 2 297.315 -1.694 20 0 CAADLO Cc1nnc(C[N@@H+]2CC[C@@](O)(CNC(=O)CC(N)=O)C2)o1 ZINC001278765786 780599840 /nfs/dbraw/zinc/59/98/40/780599840.db2.gz CFVSEOQRIGCLSD-GFCCVEGCSA-N 1 2 297.315 -1.694 20 0 CAADLO Cc1nnc(C[N@H+]2CC[C@@](O)(CNC(=O)CC(N)=O)C2)o1 ZINC001278765786 780599845 /nfs/dbraw/zinc/59/98/45/780599845.db2.gz CFVSEOQRIGCLSD-GFCCVEGCSA-N 1 2 297.315 -1.694 20 0 CAADLO [NH3+][C@@H]1NCN([C@@H]2CCS(=O)(=O)C2)[C@@H]2NCN[C@@H]21 ZINC001254327556 780602952 /nfs/dbraw/zinc/60/29/52/780602952.db2.gz WCMUPPBEAWLRQE-BGZDPUMWSA-N 1 2 261.351 -2.834 20 0 CAADLO CCc1cnc(C[N@@H+]2CC[C@@](O)(CNC(=O)C(N)=O)C2)o1 ZINC001278800823 780607410 /nfs/dbraw/zinc/60/74/10/780607410.db2.gz QFBRHCMPYMEEKK-CYBMUJFWSA-N 1 2 296.327 -1.225 20 0 CAADLO CCc1cnc(C[N@H+]2CC[C@@](O)(CNC(=O)C(N)=O)C2)o1 ZINC001278800823 780607414 /nfs/dbraw/zinc/60/74/14/780607414.db2.gz QFBRHCMPYMEEKK-CYBMUJFWSA-N 1 2 296.327 -1.225 20 0 CAADLO [NH3+][C@@H]1NCN([C@H]2C[C@@H]3CC(=O)C[C@@H]3C2)[C@H]2NCN[C@H]21 ZINC001254940463 780610488 /nfs/dbraw/zinc/61/04/88/780610488.db2.gz MBDIVLWHNJTMQI-XTDHYXMOSA-N 1 2 265.361 -1.263 20 0 CAADLO CCOCCC[NH+]1CC(O)(CNC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001278907584 780620034 /nfs/dbraw/zinc/62/00/34/780620034.db2.gz QFDQZLFBNAEEMU-MNOVXSKESA-N 1 2 299.371 -1.303 20 0 CAADLO CCOC(=O)N1CC[C@H]([NH2+]C(C(N)=O)C(N)=O)C1 ZINC001256014150 780620453 /nfs/dbraw/zinc/62/04/53/780620453.db2.gz LXSCOVGVIBCGRU-LURJTMIESA-N 1 2 258.278 -1.854 20 0 CAADLO C[C@H](O)C[NH+]1CC(O)(CNC(=O)Cc2ncc[nH]2)C1 ZINC001278919566 780620833 /nfs/dbraw/zinc/62/08/33/780620833.db2.gz UPRYUUFAPCOHML-VIFPVBQESA-N 1 2 268.317 -1.504 20 0 CAADLO NC(=O)NC(=O)C[N@@H+]1CCC[C@@]2(C1)NC(=O)NC2=O ZINC001256206649 780621012 /nfs/dbraw/zinc/62/10/12/780621012.db2.gz ZLVVMLGGNCSJDS-JTQLQIEISA-N 1 2 269.261 -2.145 20 0 CAADLO NC(=O)NC(=O)C[N@H+]1CCC[C@@]2(C1)NC(=O)NC2=O ZINC001256206649 780621016 /nfs/dbraw/zinc/62/10/16/780621016.db2.gz ZLVVMLGGNCSJDS-JTQLQIEISA-N 1 2 269.261 -2.145 20 0 CAADLO NC(=O)CN1CC(O)(CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001278919133 780621151 /nfs/dbraw/zinc/62/11/51/780621151.db2.gz LNWVYBKSTIHECD-UHFFFAOYSA-N 1 2 267.289 -2.400 20 0 CAADLO CCOCCC[NH+]1CC(O)(CNC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001278923058 780621420 /nfs/dbraw/zinc/62/14/20/780621420.db2.gz SWDMFXCMRBRMBZ-NSHDSACASA-N 1 2 299.371 -1.146 20 0 CAADLO C[C@@H](O)C[NH+]1CC(O)(CNC(=O)C(=O)NCC2CC2)C1 ZINC001278918365 780621632 /nfs/dbraw/zinc/62/16/32/780621632.db2.gz CMQWZNGOGQFCCO-SECBINFHSA-N 1 2 285.344 -1.944 20 0 CAADLO NC(=O)NC(=O)C[N@@H+]1CCC[C@]2(C1)NC(=O)NC2=O ZINC001256206650 780621683 /nfs/dbraw/zinc/62/16/83/780621683.db2.gz ZLVVMLGGNCSJDS-SNVBAGLBSA-N 1 2 269.261 -2.145 20 0 CAADLO NC(=O)NC(=O)C[N@H+]1CCC[C@]2(C1)NC(=O)NC2=O ZINC001256206650 780621689 /nfs/dbraw/zinc/62/16/89/780621689.db2.gz ZLVVMLGGNCSJDS-SNVBAGLBSA-N 1 2 269.261 -2.145 20 0 CAADLO [NH3+][C@@H]1NCN(C2CCS(=O)(=O)CC2)[C@H]2NCN[C@H]21 ZINC001256383534 780623932 /nfs/dbraw/zinc/62/39/32/780623932.db2.gz JYDPUFXWUIYZOT-IVZWLZJFSA-N 1 2 275.378 -2.444 20 0 CAADLO O=C(NCCCn1cc[nH+]c1)C(=O)NC[C@@H]1COCCO1 ZINC001256812880 780626732 /nfs/dbraw/zinc/62/67/32/780626732.db2.gz GDOGZFQRRAJUEN-LLVKDONJSA-N 1 2 296.327 -1.079 20 0 CAADLO O=C(NCCn1cc[nH+]c1)C(=O)N1CC[C@@](F)(CO)C1 ZINC001256874236 780627073 /nfs/dbraw/zinc/62/70/73/780627073.db2.gz NVSRGASWENQUPD-LBPRGKRZSA-N 1 2 284.291 -1.068 20 0 CAADLO CN(C)C(=O)CCCNC(=O)C(=O)NCCn1cc[nH+]c1 ZINC001256873616 780627423 /nfs/dbraw/zinc/62/74/23/780627423.db2.gz IYBRYYXDXSBYDC-UHFFFAOYSA-N 1 2 295.343 -1.016 20 0 CAADLO C[C@@H](Cn1cncn1)NC(=O)C(=O)NCCn1cc[nH+]c1 ZINC001256874393 780627488 /nfs/dbraw/zinc/62/74/88/780627488.db2.gz PWSZKVUSPJTDDP-JTQLQIEISA-N 1 2 291.315 -1.204 20 0 CAADLO Cn1cnc(C(=O)N2CC[NH+](CCCO)CC2)n1 ZINC001258291689 780632720 /nfs/dbraw/zinc/63/27/20/780632720.db2.gz DJLGMDWOTPWYBK-UHFFFAOYSA-N 1 2 253.306 -1.045 20 0 CAADLO C[C@@]1(NC(=O)CC(N)=O)CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001299520758 780634895 /nfs/dbraw/zinc/63/48/95/780634895.db2.gz RCPWCTJZJHFSJO-CYBMUJFWSA-N 1 2 293.327 -1.134 20 0 CAADLO COCCS(=O)(=O)NCC[NH+]1CC2(COC2)C1 ZINC001259974728 780645655 /nfs/dbraw/zinc/64/56/55/780645655.db2.gz IPWBOQGOLSUNOM-UHFFFAOYSA-N 1 2 264.347 -1.116 20 0 CAADLO COC(=O)[C@H](Cc1c[nH+]cn1C)NS(N)(=O)=O ZINC001260083614 780647563 /nfs/dbraw/zinc/64/75/63/780647563.db2.gz AOGAPXKMRGSTKU-ZETCQYMHSA-N 1 2 262.291 -1.703 20 0 CAADLO CO[C@@H]1COC[C@H]1[NH2+]Cc1cn(CC(N)=O)nn1 ZINC001261481118 780665336 /nfs/dbraw/zinc/66/53/36/780665336.db2.gz MMVMMTYBVGBMBN-RKDXNWHRSA-N 1 2 255.278 -1.733 20 0 CAADLO CC(C)([NH3+])CNC(=O)Cn1[nH]cc2c(=O)ncnc1-2 ZINC001261489883 780666369 /nfs/dbraw/zinc/66/63/69/780666369.db2.gz HYNBYFCQYVMDNX-UHFFFAOYSA-N 1 2 264.289 -1.075 20 0 CAADLO O=C(NC[C@@H]1C[NH+]2CCN1CC2)c1cn[nH]c(=O)c1 ZINC001261760099 780682566 /nfs/dbraw/zinc/68/25/66/780682566.db2.gz AFSDGRZUDJWSTO-SNVBAGLBSA-N 1 2 263.301 -1.088 20 0 CAADLO CC[NH+]1CCN(C(=O)C(=O)N[C@@H]2CCN(C(C)=O)C2)CC1 ZINC001261771292 780682733 /nfs/dbraw/zinc/68/27/33/780682733.db2.gz RROADZOYLIFHBE-GFCCVEGCSA-N 1 2 296.371 -1.113 20 0 CAADLO O=C(C[C@@H]1NC(=O)NC1=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC001261773068 780683019 /nfs/dbraw/zinc/68/30/19/780683019.db2.gz RPRUKRJWJZOPGX-ZJUUUORDSA-N 1 2 296.327 -1.482 20 0 CAADLO C[C@H](C(=O)N1CC[N@H+](C)[C@@H](CO)C1)N1C(=O)CCC1=O ZINC001262185778 780703096 /nfs/dbraw/zinc/70/30/96/780703096.db2.gz AEGSUWMZLYCLQV-NXEZZACHSA-N 1 2 283.328 -1.341 20 0 CAADLO C[C@H](C(=O)N1CC[N@@H+](C)[C@@H](CO)C1)N1C(=O)CCC1=O ZINC001262185778 780703100 /nfs/dbraw/zinc/70/31/00/780703100.db2.gz AEGSUWMZLYCLQV-NXEZZACHSA-N 1 2 283.328 -1.341 20 0 CAADLO Cn1c[nH+]cc1[C@H](CO)NC(=O)[C@H]1OCCN(C)C1=O ZINC001262185002 780703416 /nfs/dbraw/zinc/70/34/16/780703416.db2.gz YWYMQNHVTSMJNP-WCBMZHEXSA-N 1 2 282.300 -1.573 20 0 CAADLO COC[C@@H]1NC(=O)N(C[C@@H]2CN(C)CC[N@@H+]2C)C1=O ZINC001262201093 780704625 /nfs/dbraw/zinc/70/46/25/780704625.db2.gz NNUZMVQEUBGAAO-UWVGGRQHSA-N 1 2 270.333 -1.201 20 0 CAADLO COC[C@@H]1NC(=O)N(C[C@@H]2CN(C)CC[N@H+]2C)C1=O ZINC001262201093 780704628 /nfs/dbraw/zinc/70/46/28/780704628.db2.gz NNUZMVQEUBGAAO-UWVGGRQHSA-N 1 2 270.333 -1.201 20 0 CAADLO C[C@H](O)[C@H](O)C[N@@H+]1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC001262239638 780705878 /nfs/dbraw/zinc/70/58/78/780705878.db2.gz FSHASBDGSFTFAD-LPEHRKFASA-N 1 2 266.363 -1.306 20 0 CAADLO C[C@H](O)[C@H](O)C[N@H+]1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC001262239638 780705885 /nfs/dbraw/zinc/70/58/85/780705885.db2.gz FSHASBDGSFTFAD-LPEHRKFASA-N 1 2 266.363 -1.306 20 0 CAADLO COCC[NH+]1CCN(C(=O)C(=O)N2CC=C[C@@H]2CO)CC1 ZINC001262531548 780712963 /nfs/dbraw/zinc/71/29/63/780712963.db2.gz CYEGKLGCPYQGRS-GFCCVEGCSA-N 1 2 297.355 -1.464 20 0 CAADLO CNS(=O)(=O)CC(=O)NCCc1[nH+]ccn1C ZINC001263918684 780733043 /nfs/dbraw/zinc/73/30/43/780733043.db2.gz OVFKOBORJRXFOR-UHFFFAOYSA-N 1 2 260.319 -1.372 20 0 CAADLO COC[C@H]1C[NH2+]CCN1C(=O)CCc1nn[nH]n1 ZINC001263261961 780725827 /nfs/dbraw/zinc/72/58/27/780725827.db2.gz UXZKKWCPUUDRAA-MRVPVSSYSA-N 1 2 254.294 -1.421 20 0 CAADLO CCOC(=O)[C@H](N)C(=O)N[C@@H](C)[C@H]1CN(C)CC[N@@H+]1C ZINC001263306511 780725936 /nfs/dbraw/zinc/72/59/36/780725936.db2.gz ZUACFYGPYYWKCB-HBNTYKKESA-N 1 2 286.376 -1.373 20 0 CAADLO CCOC(=O)[C@H](N)C(=O)N[C@@H](C)[C@H]1CN(C)CC[N@H+]1C ZINC001263306511 780725942 /nfs/dbraw/zinc/72/59/42/780725942.db2.gz ZUACFYGPYYWKCB-HBNTYKKESA-N 1 2 286.376 -1.373 20 0 CAADLO CCOC(=O)[C@H](N)C(=O)N[C@H](C)[C@@H]1CN(C)CC[N@@H+]1C ZINC001263306512 780726406 /nfs/dbraw/zinc/72/64/06/780726406.db2.gz ZUACFYGPYYWKCB-OUAUKWLOSA-N 1 2 286.376 -1.373 20 0 CAADLO CCOC(=O)[C@H](N)C(=O)N[C@H](C)[C@@H]1CN(C)CC[N@H+]1C ZINC001263306512 780726411 /nfs/dbraw/zinc/72/64/11/780726411.db2.gz ZUACFYGPYYWKCB-OUAUKWLOSA-N 1 2 286.376 -1.373 20 0 CAADLO COC[C@@H]1C[NH2+]CCN1C(=O)CCc1nn[nH]n1 ZINC001263261962 780726829 /nfs/dbraw/zinc/72/68/29/780726829.db2.gz UXZKKWCPUUDRAA-QMMMGPOBSA-N 1 2 254.294 -1.421 20 0 CAADLO CN(C[C@@H]1CC[N@@H+]1[C@@H]1CCCNC1=O)C(=O)C(N)=O ZINC001263809323 780729936 /nfs/dbraw/zinc/72/99/36/780729936.db2.gz KKMQBJFFQOZBPO-DTWKUNHWSA-N 1 2 268.317 -1.717 20 0 CAADLO CN(C[C@@H]1CC[N@H+]1[C@@H]1CCCNC1=O)C(=O)C(N)=O ZINC001263809323 780729943 /nfs/dbraw/zinc/72/99/43/780729943.db2.gz KKMQBJFFQOZBPO-DTWKUNHWSA-N 1 2 268.317 -1.717 20 0 CAADLO CN(C[C@H]1CC[N@@H+]1[C@@H]1CCCN(C)C1=O)C(=O)C(N)=O ZINC001263809923 780730058 /nfs/dbraw/zinc/73/00/58/780730058.db2.gz QNSSULGUBLEPEP-NXEZZACHSA-N 1 2 282.344 -1.375 20 0 CAADLO CN(C[C@H]1CC[N@H+]1[C@@H]1CCCN(C)C1=O)C(=O)C(N)=O ZINC001263809923 780730064 /nfs/dbraw/zinc/73/00/64/780730064.db2.gz QNSSULGUBLEPEP-NXEZZACHSA-N 1 2 282.344 -1.375 20 0 CAADLO Cn1cc[nH+]c1CCC(=O)N[C@H]1CN(C)NC1=O ZINC001263773506 780730202 /nfs/dbraw/zinc/73/02/02/780730202.db2.gz WQXKTFOZITUTIN-QMMMGPOBSA-N 1 2 251.290 -1.186 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CC[C@@H]1CN(C)C(=O)C1(C(N)=O)CC1 ZINC001263809932 780730562 /nfs/dbraw/zinc/73/05/62/780730562.db2.gz QSMWYPBEIXAFJG-DTWKUNHWSA-N 1 2 282.344 -1.342 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CC[C@@H]1CN(C)C(=O)C1(C(N)=O)CC1 ZINC001263809932 780730564 /nfs/dbraw/zinc/73/05/64/780730564.db2.gz QSMWYPBEIXAFJG-DTWKUNHWSA-N 1 2 282.344 -1.342 20 0 CAADLO CN(C[C@H]1CC[N@@H+]1[C@H]1CCCNC1=O)C(=O)C(N)=O ZINC001263809320 780730605 /nfs/dbraw/zinc/73/06/05/780730605.db2.gz KKMQBJFFQOZBPO-BDAKNGLRSA-N 1 2 268.317 -1.717 20 0 CAADLO CN(C[C@H]1CC[N@H+]1[C@H]1CCCNC1=O)C(=O)C(N)=O ZINC001263809320 780730608 /nfs/dbraw/zinc/73/06/08/780730608.db2.gz KKMQBJFFQOZBPO-BDAKNGLRSA-N 1 2 268.317 -1.717 20 0 CAADLO CN(C[C@@H]1CC[N@@H+]1[C@H]1CCCNC1=O)C(=O)C(N)=O ZINC001263809325 780730651 /nfs/dbraw/zinc/73/06/51/780730651.db2.gz KKMQBJFFQOZBPO-IUCAKERBSA-N 1 2 268.317 -1.717 20 0 CAADLO CN(C[C@@H]1CC[N@H+]1[C@H]1CCCNC1=O)C(=O)C(N)=O ZINC001263809325 780730652 /nfs/dbraw/zinc/73/06/52/780730652.db2.gz KKMQBJFFQOZBPO-IUCAKERBSA-N 1 2 268.317 -1.717 20 0 CAADLO CN(C[C@@H]1CC[N@@H+]1[C@@H]1CCCN(C)C1=O)C(=O)C(N)=O ZINC001263809925 780730656 /nfs/dbraw/zinc/73/06/56/780730656.db2.gz QNSSULGUBLEPEP-VHSXEESVSA-N 1 2 282.344 -1.375 20 0 CAADLO CN(C[C@@H]1CC[N@H+]1[C@@H]1CCCN(C)C1=O)C(=O)C(N)=O ZINC001263809925 780730657 /nfs/dbraw/zinc/73/06/57/780730657.db2.gz QNSSULGUBLEPEP-VHSXEESVSA-N 1 2 282.344 -1.375 20 0 CAADLO C[C@@H]1C[N@H+](CCNC(=O)Cn2ncnn2)[C@H](C)CO1 ZINC001263860652 780731650 /nfs/dbraw/zinc/73/16/50/780731650.db2.gz BTQGWCJSNMVBPU-NXEZZACHSA-N 1 2 268.321 -1.102 20 0 CAADLO C[C@@H]1C[N@@H+](CCNC(=O)Cn2ncnn2)[C@H](C)CO1 ZINC001263860652 780731654 /nfs/dbraw/zinc/73/16/54/780731654.db2.gz BTQGWCJSNMVBPU-NXEZZACHSA-N 1 2 268.321 -1.102 20 0 CAADLO C[C@H]1C[N@H+](CCNC(=O)Cn2ncnn2)[C@@H](C)CO1 ZINC001263860653 780731966 /nfs/dbraw/zinc/73/19/66/780731966.db2.gz BTQGWCJSNMVBPU-UWVGGRQHSA-N 1 2 268.321 -1.102 20 0 CAADLO C[C@H]1C[N@@H+](CCNC(=O)Cn2ncnn2)[C@@H](C)CO1 ZINC001263860653 780731970 /nfs/dbraw/zinc/73/19/70/780731970.db2.gz BTQGWCJSNMVBPU-UWVGGRQHSA-N 1 2 268.321 -1.102 20 0 CAADLO C[N@@H+]1CCN(C(=O)c2cnn(CCO)c2)C[C@@H]1CO ZINC001263870838 780732976 /nfs/dbraw/zinc/73/29/76/780732976.db2.gz KLSDOKAMCQTNMS-LLVKDONJSA-N 1 2 268.317 -1.376 20 0 CAADLO C[N@H+]1CCN(C(=O)c2cnn(CCO)c2)C[C@@H]1CO ZINC001263870838 780732981 /nfs/dbraw/zinc/73/29/81/780732981.db2.gz KLSDOKAMCQTNMS-LLVKDONJSA-N 1 2 268.317 -1.376 20 0 CAADLO CN(CCOCC[N@H+](C)Cc1cn(C)nn1)C(=O)C(N)=O ZINC001264108330 780734929 /nfs/dbraw/zinc/73/49/29/780734929.db2.gz DJCUTATVCMEZKR-UHFFFAOYSA-N 1 2 298.347 -1.793 20 0 CAADLO CN(CCOCC[N@@H+](C)Cc1cn(C)nn1)C(=O)C(N)=O ZINC001264108330 780734933 /nfs/dbraw/zinc/73/49/33/780734933.db2.gz DJCUTATVCMEZKR-UHFFFAOYSA-N 1 2 298.347 -1.793 20 0 CAADLO CC(C)NC(=O)NCC[N@@H+]1CC[C@H]1CN(C)C(=O)C(N)=O ZINC001264370505 780736517 /nfs/dbraw/zinc/73/65/17/780736517.db2.gz DPXNPIFLAIXMBS-JTQLQIEISA-N 1 2 299.375 -1.288 20 0 CAADLO CC(C)NC(=O)NCC[N@H+]1CC[C@H]1CN(C)C(=O)C(N)=O ZINC001264370505 780736519 /nfs/dbraw/zinc/73/65/19/780736519.db2.gz DPXNPIFLAIXMBS-JTQLQIEISA-N 1 2 299.375 -1.288 20 0 CAADLO CNC(=O)C1(C(=O)N(C)C[C@H]2CC[N@@H+]2[C@@H](C)C(N)=O)CC1 ZINC001264374168 780736884 /nfs/dbraw/zinc/73/68/84/780736884.db2.gz AZCAXCODUDUFJD-VHSXEESVSA-N 1 2 296.371 -1.081 20 0 CAADLO CNC(=O)C1(C(=O)N(C)C[C@H]2CC[N@H+]2[C@@H](C)C(N)=O)CC1 ZINC001264374168 780736890 /nfs/dbraw/zinc/73/68/90/780736890.db2.gz AZCAXCODUDUFJD-VHSXEESVSA-N 1 2 296.371 -1.081 20 0 CAADLO CNC(=O)C1(C(=O)N(C)C[C@@H]2CC[N@@H+]2[C@@H](C)C(N)=O)CC1 ZINC001264374167 780737507 /nfs/dbraw/zinc/73/75/07/780737507.db2.gz AZCAXCODUDUFJD-UWVGGRQHSA-N 1 2 296.371 -1.081 20 0 CAADLO CNC(=O)C1(C(=O)N(C)C[C@@H]2CC[N@H+]2[C@@H](C)C(N)=O)CC1 ZINC001264374167 780737512 /nfs/dbraw/zinc/73/75/12/780737512.db2.gz AZCAXCODUDUFJD-UWVGGRQHSA-N 1 2 296.371 -1.081 20 0 CAADLO COCCc1noc(C[N@H+](C)CCCNC(=O)C(N)=O)n1 ZINC001265030921 780741696 /nfs/dbraw/zinc/74/16/96/780741696.db2.gz PGONKMVYJNFKIH-UHFFFAOYSA-N 1 2 299.331 -1.318 20 0 CAADLO COCCc1noc(C[N@@H+](C)CCCNC(=O)C(N)=O)n1 ZINC001265030921 780741698 /nfs/dbraw/zinc/74/16/98/780741698.db2.gz PGONKMVYJNFKIH-UHFFFAOYSA-N 1 2 299.331 -1.318 20 0 CAADLO CC[N@H+](CCCNC(=O)CC(N)=O)[C@H](C)c1nnnn1C ZINC001265106978 780743370 /nfs/dbraw/zinc/74/33/70/780743370.db2.gz VLBKYWUTZRSMKC-SECBINFHSA-N 1 2 297.363 -1.025 20 0 CAADLO CC[N@@H+](CCCNC(=O)CC(N)=O)[C@H](C)c1nnnn1C ZINC001265106978 780743373 /nfs/dbraw/zinc/74/33/73/780743373.db2.gz VLBKYWUTZRSMKC-SECBINFHSA-N 1 2 297.363 -1.025 20 0 CAADLO CC[N@H+](CCCNC(=O)[C@@H](C)S(C)(=O)=O)CC(N)=O ZINC001265119968 780744167 /nfs/dbraw/zinc/74/41/67/780744167.db2.gz WJJWTWDWQCHVKD-SECBINFHSA-N 1 2 293.389 -1.267 20 0 CAADLO CCCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)CC(N)=O)C1 ZINC001265207273 780744144 /nfs/dbraw/zinc/74/41/44/780744144.db2.gz DGJXFUVVFAABIP-JTQLQIEISA-N 1 2 284.360 -1.031 20 0 CAADLO CCCNC(=O)C[N@H+]1CCC[C@H](NC(=O)CC(N)=O)C1 ZINC001265207273 780744146 /nfs/dbraw/zinc/74/41/46/780744146.db2.gz DGJXFUVVFAABIP-JTQLQIEISA-N 1 2 284.360 -1.031 20 0 CAADLO CC[N@@H+](CCCNC(=O)[C@@H](C)S(C)(=O)=O)CC(N)=O ZINC001265119968 780744168 /nfs/dbraw/zinc/74/41/68/780744168.db2.gz WJJWTWDWQCHVKD-SECBINFHSA-N 1 2 293.389 -1.267 20 0 CAADLO COCCOCC(=O)N[C@H]1CC[N@@H+]([C@H](C)C(N)=O)C1 ZINC001265277965 780744658 /nfs/dbraw/zinc/74/46/58/780744658.db2.gz XPNVWBYLHVRHLV-ZJUUUORDSA-N 1 2 273.333 -1.286 20 0 CAADLO COCCOCC(=O)N[C@H]1CC[N@H+]([C@H](C)C(N)=O)C1 ZINC001265277965 780744659 /nfs/dbraw/zinc/74/46/59/780744659.db2.gz XPNVWBYLHVRHLV-ZJUUUORDSA-N 1 2 273.333 -1.286 20 0 CAADLO COCCOCC(=O)N[C@@H]1CC[N@@H+]([C@H](C)C(N)=O)C1 ZINC001265277962 780744826 /nfs/dbraw/zinc/74/48/26/780744826.db2.gz XPNVWBYLHVRHLV-NXEZZACHSA-N 1 2 273.333 -1.286 20 0 CAADLO COCCOCC(=O)N[C@@H]1CC[N@H+]([C@H](C)C(N)=O)C1 ZINC001265277962 780744834 /nfs/dbraw/zinc/74/48/34/780744834.db2.gz XPNVWBYLHVRHLV-NXEZZACHSA-N 1 2 273.333 -1.286 20 0 CAADLO COCCOCC(=O)N[C@@H]1CC[N@@H+]([C@@H](C)C(N)=O)C1 ZINC001265277964 780745483 /nfs/dbraw/zinc/74/54/83/780745483.db2.gz XPNVWBYLHVRHLV-VHSXEESVSA-N 1 2 273.333 -1.286 20 0 CAADLO COCCOCC(=O)N[C@@H]1CC[N@H+]([C@@H](C)C(N)=O)C1 ZINC001265277964 780745486 /nfs/dbraw/zinc/74/54/86/780745486.db2.gz XPNVWBYLHVRHLV-VHSXEESVSA-N 1 2 273.333 -1.286 20 0 CAADLO NC(=O)NC(=O)C[N@@H+]1CC[C@@H](NC(=O)C2CC2)C1 ZINC001265266654 780745584 /nfs/dbraw/zinc/74/55/84/780745584.db2.gz WHNVJUCRYOGHHH-MRVPVSSYSA-N 1 2 254.290 -1.218 20 0 CAADLO NC(=O)NC(=O)C[N@H+]1CC[C@@H](NC(=O)C2CC2)C1 ZINC001265266654 780745588 /nfs/dbraw/zinc/74/55/88/780745588.db2.gz WHNVJUCRYOGHHH-MRVPVSSYSA-N 1 2 254.290 -1.218 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)C(=O)NCC(F)F)C1 ZINC001265292469 780746141 /nfs/dbraw/zinc/74/61/41/780746141.db2.gz NJXMFAFJXKOMRT-BQBZGAKWSA-N 1 2 292.286 -1.568 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)C(=O)NCC(F)F)C1 ZINC001265292469 780746145 /nfs/dbraw/zinc/74/61/45/780746145.db2.gz NJXMFAFJXKOMRT-BQBZGAKWSA-N 1 2 292.286 -1.568 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)CCCNC(=O)C2CC2)C1 ZINC001265288478 780746379 /nfs/dbraw/zinc/74/63/79/780746379.db2.gz URSGJTZOBHCBOM-NSHDSACASA-N 1 2 296.371 -1.031 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)CCCNC(=O)C2CC2)C1 ZINC001265288478 780746381 /nfs/dbraw/zinc/74/63/81/780746381.db2.gz URSGJTZOBHCBOM-NSHDSACASA-N 1 2 296.371 -1.031 20 0 CAADLO CCN(CC)C(=O)C[N@@H+]1CC[C@H](NC(=O)C(N)=O)C1 ZINC001265301426 780746709 /nfs/dbraw/zinc/74/67/09/780746709.db2.gz KLJDFRUUAQXOAF-VIFPVBQESA-N 1 2 270.333 -1.469 20 0 CAADLO CCN(CC)C(=O)C[N@H+]1CC[C@H](NC(=O)C(N)=O)C1 ZINC001265301426 780746713 /nfs/dbraw/zinc/74/67/13/780746713.db2.gz KLJDFRUUAQXOAF-VIFPVBQESA-N 1 2 270.333 -1.469 20 0 CAADLO O=C(N[C@H]1CC[N@@H+](CCOCCO)C1)c1cnn[nH]1 ZINC001265293222 780747624 /nfs/dbraw/zinc/74/76/24/780747624.db2.gz WWGDKEPVFAFUOB-VIFPVBQESA-N 1 2 269.305 -1.382 20 0 CAADLO O=C(N[C@H]1CC[N@H+](CCOCCO)C1)c1cnn[nH]1 ZINC001265293222 780747629 /nfs/dbraw/zinc/74/76/29/780747629.db2.gz WWGDKEPVFAFUOB-VIFPVBQESA-N 1 2 269.305 -1.382 20 0 CAADLO C[N@@H+]1CCN(C(=O)c2nccnc2N)[C@H](CO)C1 ZINC000701060092 780751561 /nfs/dbraw/zinc/75/15/61/780751561.db2.gz GGOOAHDPQCCAOD-QMMMGPOBSA-N 1 2 251.290 -1.193 20 0 CAADLO C[N@H+]1CCN(C(=O)c2nccnc2N)[C@H](CO)C1 ZINC000701060092 780751563 /nfs/dbraw/zinc/75/15/63/780751563.db2.gz GGOOAHDPQCCAOD-QMMMGPOBSA-N 1 2 251.290 -1.193 20 0 CAADLO C[N@@H+]1CCN(C(=O)c2nccnc2N)[C@@H](CO)C1 ZINC000701060087 780751574 /nfs/dbraw/zinc/75/15/74/780751574.db2.gz GGOOAHDPQCCAOD-MRVPVSSYSA-N 1 2 251.290 -1.193 20 0 CAADLO C[N@H+]1CCN(C(=O)c2nccnc2N)[C@@H](CO)C1 ZINC000701060087 780751579 /nfs/dbraw/zinc/75/15/79/780751579.db2.gz GGOOAHDPQCCAOD-MRVPVSSYSA-N 1 2 251.290 -1.193 20 0 CAADLO COCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2nnn(C)n2)C1 ZINC001265525935 780753134 /nfs/dbraw/zinc/75/31/34/780753134.db2.gz NXRWADXQZZMBSD-OCAPTIKFSA-N 1 2 254.294 -1.407 20 0 CAADLO CCNC(=O)C[N@@H+]1CCCC[C@H]1CNC(=O)C(N)=O ZINC001265650666 780754221 /nfs/dbraw/zinc/75/42/21/780754221.db2.gz CFDJLQCBZCDDEQ-VIFPVBQESA-N 1 2 270.333 -1.422 20 0 CAADLO CCNC(=O)C[N@H+]1CCCC[C@H]1CNC(=O)C(N)=O ZINC001265650666 780754226 /nfs/dbraw/zinc/75/42/26/780754226.db2.gz CFDJLQCBZCDDEQ-VIFPVBQESA-N 1 2 270.333 -1.422 20 0 CAADLO C[C@H](CNC(=O)C(C)(C)C(N)=O)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001265788129 780758113 /nfs/dbraw/zinc/75/81/13/780758113.db2.gz GQXDGMHFVDPJAS-SSDOTTSWSA-N 1 2 298.347 -1.786 20 0 CAADLO C[C@H](NC(N)=O)C(=O)NCCC[N@H+](C)Cc1cnn(C)n1 ZINC001265831569 780760555 /nfs/dbraw/zinc/76/05/55/780760555.db2.gz KGVOOHKMCRHEDQ-VIFPVBQESA-N 1 2 297.363 -1.190 20 0 CAADLO C[C@H](NC(N)=O)C(=O)NCCC[N@@H+](C)Cc1cnn(C)n1 ZINC001265831569 780760561 /nfs/dbraw/zinc/76/05/61/780760561.db2.gz KGVOOHKMCRHEDQ-VIFPVBQESA-N 1 2 297.363 -1.190 20 0 CAADLO C[C@@H](CNC(=O)C(=O)NCC1CC1)[NH2+]Cc1ncnn1C ZINC001265843742 780762194 /nfs/dbraw/zinc/76/21/94/780762194.db2.gz MGPPGVVDNCDSDC-VIFPVBQESA-N 1 2 294.359 -1.064 20 0 CAADLO Cn1cc(C[N@H+](C)CCCNC(=O)[C@@H]2CCNC2=O)nn1 ZINC001265901993 780763245 /nfs/dbraw/zinc/76/32/45/780763245.db2.gz GXNRFOUQPOKPFH-NSHDSACASA-N 1 2 294.359 -1.111 20 0 CAADLO Cn1cc(C[N@@H+](C)CCCNC(=O)[C@@H]2CCNC2=O)nn1 ZINC001265901993 780763251 /nfs/dbraw/zinc/76/32/51/780763251.db2.gz GXNRFOUQPOKPFH-NSHDSACASA-N 1 2 294.359 -1.111 20 0 CAADLO CNC(=O)C[NH2+][C@H]1CCN(C(=O)Cc2ncn[nH]2)C1 ZINC001265940467 780765026 /nfs/dbraw/zinc/76/50/26/780765026.db2.gz YIXSOCVRFRSYBO-QMMMGPOBSA-N 1 2 266.305 -1.716 20 0 CAADLO CC[N@H+](CCCNC(=O)CS(C)(=O)=O)[C@H](C)C(N)=O ZINC001266025810 780767189 /nfs/dbraw/zinc/76/71/89/780767189.db2.gz WNYVQGKJLNZQNS-SECBINFHSA-N 1 2 293.389 -1.267 20 0 CAADLO CC[N@@H+](CCCNC(=O)CS(C)(=O)=O)[C@H](C)C(N)=O ZINC001266025810 780767195 /nfs/dbraw/zinc/76/71/95/780767195.db2.gz WNYVQGKJLNZQNS-SECBINFHSA-N 1 2 293.389 -1.267 20 0 CAADLO CC[N@H+](CCCNC(=O)CS(C)(=O)=O)[C@@H](C)C(N)=O ZINC001266025811 780767260 /nfs/dbraw/zinc/76/72/60/780767260.db2.gz WNYVQGKJLNZQNS-VIFPVBQESA-N 1 2 293.389 -1.267 20 0 CAADLO CC[N@@H+](CCCNC(=O)CS(C)(=O)=O)[C@@H](C)C(N)=O ZINC001266025811 780767266 /nfs/dbraw/zinc/76/72/66/780767266.db2.gz WNYVQGKJLNZQNS-VIFPVBQESA-N 1 2 293.389 -1.267 20 0 CAADLO Cn1nnc(C[N@@H+]2CCC[C@H]2CCCNC(=O)C(N)=O)n1 ZINC001266232434 780771453 /nfs/dbraw/zinc/77/14/53/780771453.db2.gz XSAYKFNHZWICSF-SECBINFHSA-N 1 2 295.347 -1.444 20 0 CAADLO Cn1nnc(C[N@H+]2CCC[C@H]2CCCNC(=O)C(N)=O)n1 ZINC001266232434 780771458 /nfs/dbraw/zinc/77/14/58/780771458.db2.gz XSAYKFNHZWICSF-SECBINFHSA-N 1 2 295.347 -1.444 20 0 CAADLO CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)CC(N)=O)C1 ZINC001266211221 780772336 /nfs/dbraw/zinc/77/23/36/780772336.db2.gz BLCICOFWHBEQRY-SECBINFHSA-N 1 2 270.333 -1.422 20 0 CAADLO CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)CC(N)=O)C1 ZINC001266211221 780772343 /nfs/dbraw/zinc/77/23/43/780772343.db2.gz BLCICOFWHBEQRY-SECBINFHSA-N 1 2 270.333 -1.422 20 0 CAADLO CNC(=O)NC(=O)C[N@H+]1CC=C(CNC(=O)COC)CC1 ZINC001279466164 780773149 /nfs/dbraw/zinc/77/31/49/780773149.db2.gz WHQUEPPQCJCSTB-UHFFFAOYSA-N 1 2 298.343 -1.163 20 0 CAADLO CNC(=O)NC(=O)C[N@@H+]1CC=C(CNC(=O)COC)CC1 ZINC001279466164 780773152 /nfs/dbraw/zinc/77/31/52/780773152.db2.gz WHQUEPPQCJCSTB-UHFFFAOYSA-N 1 2 298.343 -1.163 20 0 CAADLO C[C@@H](NC(=O)CC(N)=O)[C@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001280227215 780778612 /nfs/dbraw/zinc/77/86/12/780778612.db2.gz QFDQGOINLDVWPW-SFYZADRCSA-N 1 2 281.316 -1.163 20 0 CAADLO C[C@@H](NC(=O)Cc1[nH]cc[nH+]1)[C@H](C)NC(=O)CC(N)=O ZINC001280227213 780779291 /nfs/dbraw/zinc/77/92/91/780779291.db2.gz QFDQGOINLDVWPW-JGVFFNPUSA-N 1 2 281.316 -1.163 20 0 CAADLO COCCC[N@@H+]1CCOC[C@H]1CNC(=O)[C@H]1CCNC1=O ZINC001280412527 780780006 /nfs/dbraw/zinc/78/00/06/780780006.db2.gz OYFJLSYARNNQGR-NEPJUHHUSA-N 1 2 299.371 -1.024 20 0 CAADLO COCCC[N@H+]1CCOC[C@H]1CNC(=O)[C@H]1CCNC1=O ZINC001280412527 780780013 /nfs/dbraw/zinc/78/00/13/780780013.db2.gz OYFJLSYARNNQGR-NEPJUHHUSA-N 1 2 299.371 -1.024 20 0 CAADLO COC[C@@H](O)C[NH+]1CC2(C1)C[C@@H](NC(=O)C(N)=O)CO2 ZINC001280968930 780789744 /nfs/dbraw/zinc/78/97/44/780789744.db2.gz MIBUHWJQVQIPFL-BDAKNGLRSA-N 1 2 287.316 -2.562 20 0 CAADLO NC(=O)CC(=O)N[C@@H](CO)CNC(=O)Cn1cc[nH+]c1 ZINC001281094754 780793694 /nfs/dbraw/zinc/79/36/94/780793694.db2.gz VJWBAZJKPUBSSQ-MRVPVSSYSA-N 1 2 283.288 -2.648 20 0 CAADLO Cn1c[nH+]cc1CCC(=O)NC[C@@H](CO)NC(=O)C(N)=O ZINC001281106985 780795047 /nfs/dbraw/zinc/79/50/47/780795047.db2.gz DRZFSMOIJTVKRD-QMMMGPOBSA-N 1 2 297.315 -2.569 20 0 CAADLO CNC(=O)CC(=O)N[C@@H](CO)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001281111778 780796028 /nfs/dbraw/zinc/79/60/28/780796028.db2.gz OPJILJGTHXZIFL-MRVPVSSYSA-N 1 2 297.315 -2.318 20 0 CAADLO C[C@@H]1[C@H](NC(=O)CCn2cc[nH+]c2)CCN1C(=O)C(N)=O ZINC001281149037 780797665 /nfs/dbraw/zinc/79/76/65/780797665.db2.gz MXSQWGSDXOHELI-NXEZZACHSA-N 1 2 293.327 -1.136 20 0 CAADLO C[C@H]1[C@H](NC(=O)CCn2cc[nH+]c2)CCN1C(=O)C(N)=O ZINC001281149040 780798273 /nfs/dbraw/zinc/79/82/73/780798273.db2.gz MXSQWGSDXOHELI-VHSXEESVSA-N 1 2 293.327 -1.136 20 0 CAADLO C[C@H](C[C@H](C)NC(=O)Cc1c[nH]c[nH+]1)NC(=O)C(N)=O ZINC001281450289 780802762 /nfs/dbraw/zinc/80/27/62/780802762.db2.gz YWFOLOJHMJZGTG-JGVFFNPUSA-N 1 2 281.316 -1.163 20 0 CAADLO CN(C(=O)Cc1c[nH+]c[nH]1)C1CC(NC(=O)CC(N)=O)C1 ZINC001281355733 780803055 /nfs/dbraw/zinc/80/30/55/780803055.db2.gz GCRZEZKNIOYLLC-UHFFFAOYSA-N 1 2 293.327 -1.067 20 0 CAADLO NC(=O)C(=O)NCC1(CCNC(=O)Cn2cc[nH+]c2)CC1 ZINC001281539251 780804203 /nfs/dbraw/zinc/80/42/03/780804203.db2.gz MBKHKUBGEPTLQB-UHFFFAOYSA-N 1 2 293.327 -1.229 20 0 CAADLO NC(=O)C(=O)N[C@H]1C[C@@H](CNC(=O)CCn2cc[nH+]c2)C1 ZINC001282080214 780810736 /nfs/dbraw/zinc/81/07/36/780810736.db2.gz FLEAKNZGYBUEFL-AOOOYVTPSA-N 1 2 293.327 -1.231 20 0 CAADLO NC(=O)CC(=O)NC[C@H]1C[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001282069526 780811078 /nfs/dbraw/zinc/81/10/78/780811078.db2.gz WSTQMSJXGNIRSJ-DTORHVGOSA-N 1 2 293.327 -1.161 20 0 CAADLO C[C@@H](NC(=O)C(N)=O)[C@H](C)[NH2+]Cc1nnnn1C(C)(C)C ZINC001282181602 780813172 /nfs/dbraw/zinc/81/31/72/780813172.db2.gz BAIBACFIYQCMIF-JGVFFNPUSA-N 1 2 297.363 -1.104 20 0 CAADLO C[C@@]1(C(=O)NC2(CCO)C[NH+](CCCO)C2)CCNC1=O ZINC001282537783 780820925 /nfs/dbraw/zinc/82/09/25/780820925.db2.gz MQVHAFAPLXECTG-CYBMUJFWSA-N 1 2 299.371 -1.552 20 0 CAADLO CC[NH+]1CC(CCO)(NC(=O)CN2CC(=O)N(C)C2=O)C1 ZINC001282539939 780821125 /nfs/dbraw/zinc/82/11/25/780821125.db2.gz TYCCTQGWSLMJIK-UHFFFAOYSA-N 1 2 298.343 -1.547 20 0 CAADLO C[C@]1(C(=O)NC2(CCO)C[NH+](CCCO)C2)CCNC1=O ZINC001282537784 780821184 /nfs/dbraw/zinc/82/11/84/780821184.db2.gz MQVHAFAPLXECTG-ZDUSSCGKSA-N 1 2 299.371 -1.552 20 0 CAADLO C[C@H](O)C[NH+]1CC(CCO)(NC(=O)c2cn[nH]c2)C1 ZINC001282506004 780822085 /nfs/dbraw/zinc/82/20/85/780822085.db2.gz SAGCHYSCYZRAOA-VIFPVBQESA-N 1 2 268.317 -1.043 20 0 CAADLO C[C@H](NC(=O)C(N)=O)C1C[NH+](CC(=O)NCC2CCC2)C1 ZINC001282734754 780823956 /nfs/dbraw/zinc/82/39/56/780823956.db2.gz HKIXEVGTOPJJRF-VIFPVBQESA-N 1 2 296.371 -1.176 20 0 CAADLO CC(=O)NCC(=O)NCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001282890415 780827290 /nfs/dbraw/zinc/82/72/90/780827290.db2.gz CDKMSOKZQCXUNE-NXEZZACHSA-N 1 2 293.327 -1.118 20 0 CAADLO CC(=O)NCC(=O)NCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001282890415 780827298 /nfs/dbraw/zinc/82/72/98/780827298.db2.gz CDKMSOKZQCXUNE-NXEZZACHSA-N 1 2 293.327 -1.118 20 0 CAADLO COC(=O)NCC(=O)NCCNC(=O)Cc1[nH]c[nH+]c1C ZINC001282928754 780830614 /nfs/dbraw/zinc/83/06/14/780830614.db2.gz YNZCWQJTRAGIJJ-UHFFFAOYSA-N 1 2 297.315 -1.151 20 0 CAADLO CN1C[C@H](C(=O)NCCNC(=O)Cn2cc[nH+]c2)NC1=O ZINC001283093216 780841042 /nfs/dbraw/zinc/84/10/42/780841042.db2.gz HOKJIGVKRNBQLI-SECBINFHSA-N 1 2 294.315 -1.861 20 0 CAADLO COC[C@H](OC)C(=O)NCCNC(=O)Cn1cc[nH+]c1 ZINC001283094286 780842435 /nfs/dbraw/zinc/84/24/35/780842435.db2.gz YHFHASNDALLYAM-JTQLQIEISA-N 1 2 284.316 -1.223 20 0 CAADLO O=C(CCn1cc[nH+]c1)NCCNC(=O)[C@H]1CCNC1=O ZINC001283127647 780842513 /nfs/dbraw/zinc/84/25/13/780842513.db2.gz RMQACGAKGFFJKI-JTQLQIEISA-N 1 2 293.327 -1.358 20 0 CAADLO Cc1nn[nH]c1C(=O)NCCNC(=O)Cn1cc[nH+]c1 ZINC001283093451 780842529 /nfs/dbraw/zinc/84/25/29/780842529.db2.gz KECKJKNEAKDTKB-UHFFFAOYSA-N 1 2 277.288 -1.144 20 0 CAADLO COC[C@@H](OC)C(=O)NCCNC(=O)Cn1cc[nH+]c1 ZINC001283094287 780842862 /nfs/dbraw/zinc/84/28/62/780842862.db2.gz YHFHASNDALLYAM-SNVBAGLBSA-N 1 2 284.316 -1.223 20 0 CAADLO COC(=O)NCC(=O)NCCCNC(=O)Cn1cc[nH+]c1 ZINC001283195690 780847069 /nfs/dbraw/zinc/84/70/69/780847069.db2.gz PXJIIKYFDIUPTJ-UHFFFAOYSA-N 1 2 297.315 -1.138 20 0 CAADLO O=C(Cn1cc[nH+]c1)NCCCNC(=O)[C@H]1CNC(=O)N1 ZINC001283290577 780848172 /nfs/dbraw/zinc/84/81/72/780848172.db2.gz TZAPOTIQMGUCDI-SECBINFHSA-N 1 2 294.315 -1.813 20 0 CAADLO O=C(Cc1c[nH]c[nH+]1)NCCCNC(=O)[C@@H]1CCC(=O)N1 ZINC001283306286 780850469 /nfs/dbraw/zinc/85/04/69/780850469.db2.gz LDCCZIRLBVQNKR-JTQLQIEISA-N 1 2 293.327 -1.147 20 0 CAADLO C[N@H+](CCOCCNC(=O)C(N)=O)Cc1ncccn1 ZINC001283406660 780852410 /nfs/dbraw/zinc/85/24/10/780852410.db2.gz GTODCBOIZJOLGY-UHFFFAOYSA-N 1 2 281.316 -1.474 20 0 CAADLO C[N@@H+](CCOCCNC(=O)C(N)=O)Cc1ncccn1 ZINC001283406660 780852415 /nfs/dbraw/zinc/85/24/15/780852415.db2.gz GTODCBOIZJOLGY-UHFFFAOYSA-N 1 2 281.316 -1.474 20 0 CAADLO Cc1nnc(C[NH2+][C@H](C)CN(C)C(=O)C(N)=O)o1 ZINC001283663694 780856063 /nfs/dbraw/zinc/85/60/63/780856063.db2.gz FSHCKEWVNRMEFN-ZCFIWIBFSA-N 1 2 255.278 -1.200 20 0 CAADLO Cc1nnc(C[NH2+][C@@H](C)CN(C)C(=O)C(N)=O)o1 ZINC001283663693 780856337 /nfs/dbraw/zinc/85/63/37/780856337.db2.gz FSHCKEWVNRMEFN-LURJTMIESA-N 1 2 255.278 -1.200 20 0 CAADLO Cn1[nH]c(C[NH2+][C@@H](CO)CNC(=O)C2CC2)nc1=O ZINC001283722477 780857601 /nfs/dbraw/zinc/85/76/01/780857601.db2.gz HTSDYRIKHQCDRY-MRVPVSSYSA-N 1 2 269.305 -1.915 20 0 CAADLO Cn1[nH]c(C[NH2+]CCNC(=O)C[C@H]2CCC(=O)N2)nc1=O ZINC001135223829 781353956 /nfs/dbraw/zinc/35/39/56/781353956.db2.gz YRTGHHLLFLHUPD-MRVPVSSYSA-N 1 2 296.331 -2.017 20 0 CAADLO CN(C)c1noc(C[NH2+]CCNC(=O)c2cnn(C)n2)n1 ZINC001135283290 781357922 /nfs/dbraw/zinc/35/79/22/781357922.db2.gz RNZXTJWMSUNOMK-UHFFFAOYSA-N 1 2 294.319 -1.216 20 0 CAADLO Cc1nonc1C[NH2+]CCNC(=O)C1CC(=O)NC(=O)C1 ZINC001135269599 781358339 /nfs/dbraw/zinc/35/83/39/781358339.db2.gz OYBDRNBQMPKMQN-UHFFFAOYSA-N 1 2 295.299 -1.363 20 0 CAADLO Cc1noc(C[NH2+]CCNC(=O)C2CC(=O)NC(=O)C2)n1 ZINC001135269609 781358443 /nfs/dbraw/zinc/35/84/43/781358443.db2.gz PGVVWSQWHRTFPS-UHFFFAOYSA-N 1 2 295.299 -1.363 20 0 CAADLO O=C(NCC[NH2+]Cc1csnn1)C1CC(=O)NC(=O)C1 ZINC001135269664 781358692 /nfs/dbraw/zinc/35/86/92/781358692.db2.gz QTGVJVARUUGIBI-UHFFFAOYSA-N 1 2 297.340 -1.203 20 0 CAADLO O=C(CC[NH+]1CCOCC1)NCC[NH2+]Cc1n[nH]c(=O)[n-]1 ZINC001135352223 781363103 /nfs/dbraw/zinc/36/31/03/781363103.db2.gz DBGGADBTWPHQHK-UHFFFAOYSA-N 1 2 298.347 -1.562 20 0 CAADLO O=C(CN1CC(=O)NC1=O)NCC[NH2+]Cc1cnsn1 ZINC001135440998 781368004 /nfs/dbraw/zinc/36/80/04/781368004.db2.gz WQPHDQNSPLFTCK-UHFFFAOYSA-N 1 2 298.328 -1.704 20 0 CAADLO O=C(Cn1[nH]cc2c(=O)ncnc1-2)NCC[NH2+]CCO ZINC001135465676 781368248 /nfs/dbraw/zinc/36/82/48/781368248.db2.gz NTGYGLMBFDDHQS-UHFFFAOYSA-N 1 2 280.288 -2.231 20 0 CAADLO O=C(C[NH2+]CCNC(=O)c1ncn[nH]1)Nc1cnccn1 ZINC001135520856 781370016 /nfs/dbraw/zinc/37/00/16/781370016.db2.gz PSRIHIMPWRMASH-UHFFFAOYSA-N 1 2 290.287 -1.447 20 0 CAADLO O=C(C[NH2+]CCNC(=O)c1nc[nH]n1)Nc1cnccn1 ZINC001135520856 781370025 /nfs/dbraw/zinc/37/00/25/781370025.db2.gz PSRIHIMPWRMASH-UHFFFAOYSA-N 1 2 290.287 -1.447 20 0 CAADLO C[C@H]([NH2+]CCNC(=O)c1nnc[nH]1)c1nnnn1C ZINC001135520180 781370805 /nfs/dbraw/zinc/37/08/05/781370805.db2.gz HQKFYEXQWYNONF-LURJTMIESA-N 1 2 265.281 -1.591 20 0 CAADLO O=C(C[NH2+]CCNC(=O)c1ncn[nH]1)Nc1nncs1 ZINC001135521173 781371146 /nfs/dbraw/zinc/37/11/46/781371146.db2.gz VWDZLYWVNBAJEF-UHFFFAOYSA-N 1 2 296.316 -1.386 20 0 CAADLO O=C(C[NH2+]CCNC(=O)c1nc[nH]n1)Nc1nncs1 ZINC001135521173 781371154 /nfs/dbraw/zinc/37/11/54/781371154.db2.gz VWDZLYWVNBAJEF-UHFFFAOYSA-N 1 2 296.316 -1.386 20 0 CAADLO Cn1cnnc1C[NH2+]CCNC(=O)c1nnc[nH]1 ZINC001135519849 781371486 /nfs/dbraw/zinc/37/14/86/781371486.db2.gz CJUGDBCZLTVHIF-UHFFFAOYSA-N 1 2 250.266 -1.547 20 0 CAADLO O=C(NCC[NH2+]Cc1nnc2n1CCOC2)c1nnc[nH]1 ZINC001135519808 781371600 /nfs/dbraw/zinc/37/16/00/781371600.db2.gz AUGNKESBLRKIML-UHFFFAOYSA-N 1 2 292.303 -1.554 20 0 CAADLO Cn1[nH]c(C[NH2+]CCNC(=O)c2ccncn2)nc1=O ZINC001135542415 781373406 /nfs/dbraw/zinc/37/34/06/781373406.db2.gz BULCQBGWOYSOAD-UHFFFAOYSA-N 1 2 277.288 -1.582 20 0 CAADLO Cc1noc(C[NH2+]CCNC(=O)CCn2cnnn2)n1 ZINC001135677547 781380218 /nfs/dbraw/zinc/38/02/18/781380218.db2.gz ODIGGGZFTXJDOY-UHFFFAOYSA-N 1 2 280.292 -1.339 20 0 CAADLO CCc1noc(C[NH2+]CCNC(=O)CCn2cnnn2)n1 ZINC001135681708 781381747 /nfs/dbraw/zinc/38/17/47/781381747.db2.gz QPXYPERINYWJEQ-UHFFFAOYSA-N 1 2 294.319 -1.085 20 0 CAADLO Cn1[nH]c(C[NH2+]CCNC(=O)[C@@]2(C)CCOC2)nc1=O ZINC001135781744 781385578 /nfs/dbraw/zinc/38/55/78/781385578.db2.gz REEPCVAERVNOIP-LBPRGKRZSA-N 1 2 283.332 -1.259 20 0 CAADLO Cn1[nH]c(C[NH2+]CCNC(=O)[C@]2(C)CCOC2)nc1=O ZINC001135781743 781386241 /nfs/dbraw/zinc/38/62/41/781386241.db2.gz REEPCVAERVNOIP-GFCCVEGCSA-N 1 2 283.332 -1.259 20 0 CAADLO C[C@H]1OCC[C@@H]1C(=O)NCC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001135782105 781386382 /nfs/dbraw/zinc/38/63/82/781386382.db2.gz XLZGHFAPNWEMII-BDAKNGLRSA-N 1 2 283.332 -1.261 20 0 CAADLO Cn1nnnc1C[NH2+]CCNC(=O)C(=O)NCC1CC1 ZINC001135900310 781387172 /nfs/dbraw/zinc/38/71/72/781387172.db2.gz HSHOLYIYUDDIQZ-UHFFFAOYSA-N 1 2 281.320 -2.058 20 0 CAADLO C[C@@H]([NH2+]CCNC(=O)C(=O)NCC1CC1)c1nnnn1C ZINC001135906688 781387581 /nfs/dbraw/zinc/38/75/81/781387581.db2.gz DKHUGMKBDRXOQB-MRVPVSSYSA-N 1 2 295.347 -1.497 20 0 CAADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@@H](CO)NC(N)=O ZINC001136226663 781396976 /nfs/dbraw/zinc/39/69/76/781396976.db2.gz HUCIRIJVOOWTQW-JGVFFNPUSA-N 1 2 255.278 -1.583 20 0 CAADLO NC(=O)C(=O)N[C@H]1CC[N@H+](Cc2ccc(F)cn2)C[C@H]1O ZINC001090531231 781397906 /nfs/dbraw/zinc/39/79/06/781397906.db2.gz JLBUTUKVENKLIX-WDEREUQCSA-N 1 2 296.302 -1.243 20 0 CAADLO NC(=O)C(=O)N[C@H]1CC[N@@H+](Cc2ccc(F)cn2)C[C@H]1O ZINC001090531231 781397915 /nfs/dbraw/zinc/39/79/15/781397915.db2.gz JLBUTUKVENKLIX-WDEREUQCSA-N 1 2 296.302 -1.243 20 0 CAADLO NC(=O)C(=O)N[C@@H]1CC[N@H+](Cc2ccc(F)cn2)C[C@@H]1O ZINC001090531229 781398320 /nfs/dbraw/zinc/39/83/20/781398320.db2.gz JLBUTUKVENKLIX-MNOVXSKESA-N 1 2 296.302 -1.243 20 0 CAADLO NC(=O)C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(F)cn2)C[C@@H]1O ZINC001090531229 781398328 /nfs/dbraw/zinc/39/83/28/781398328.db2.gz JLBUTUKVENKLIX-MNOVXSKESA-N 1 2 296.302 -1.243 20 0 CAADLO NC(=O)C(=O)N[C@H]1CC[N@H+](Cc2cncc(F)c2)C[C@H]1O ZINC001090531010 781398780 /nfs/dbraw/zinc/39/87/80/781398780.db2.gz HMANGFRXCJZXNH-WDEREUQCSA-N 1 2 296.302 -1.243 20 0 CAADLO NC(=O)C(=O)N[C@H]1CC[N@@H+](Cc2cncc(F)c2)C[C@H]1O ZINC001090531010 781398785 /nfs/dbraw/zinc/39/87/85/781398785.db2.gz HMANGFRXCJZXNH-WDEREUQCSA-N 1 2 296.302 -1.243 20 0 CAADLO Cc1nc(C[N@@H+]2CC[C@H](NC(=O)C(N)=O)[C@@H](O)C2)oc1C ZINC001090531016 781399186 /nfs/dbraw/zinc/39/91/86/781399186.db2.gz HPNOGRBZTNNASI-UWVGGRQHSA-N 1 2 296.327 -1.172 20 0 CAADLO Cc1nc(C[N@H+]2CC[C@H](NC(=O)C(N)=O)[C@@H](O)C2)oc1C ZINC001090531016 781399196 /nfs/dbraw/zinc/39/91/96/781399196.db2.gz HPNOGRBZTNNASI-UWVGGRQHSA-N 1 2 296.327 -1.172 20 0 CAADLO Cc1csc(C[N@@H+]2CC[C@H](NC(=O)C(N)=O)[C@H](O)C2)n1 ZINC001090532029 781400444 /nfs/dbraw/zinc/40/04/44/781400444.db2.gz PWVQRZBIGUWTPX-DTWKUNHWSA-N 1 2 298.368 -1.012 20 0 CAADLO Cc1csc(C[N@H+]2CC[C@H](NC(=O)C(N)=O)[C@H](O)C2)n1 ZINC001090532029 781400448 /nfs/dbraw/zinc/40/04/48/781400448.db2.gz PWVQRZBIGUWTPX-DTWKUNHWSA-N 1 2 298.368 -1.012 20 0 CAADLO Cn1nncc1C[N@@H+]1CC[C@@H](NC(=O)C(N)=O)[C@@H](O)C1 ZINC001090533297 781401869 /nfs/dbraw/zinc/40/18/69/781401869.db2.gz YUAXFKWKHYQJBK-BDAKNGLRSA-N 1 2 282.304 -2.648 20 0 CAADLO Cn1nncc1C[N@H+]1CC[C@@H](NC(=O)C(N)=O)[C@@H](O)C1 ZINC001090533297 781401875 /nfs/dbraw/zinc/40/18/75/781401875.db2.gz YUAXFKWKHYQJBK-BDAKNGLRSA-N 1 2 282.304 -2.648 20 0 CAADLO Cc1ncc(C[N@@H+]2CC[C@H](NC(=O)C(N)=O)[C@@H](O)C2)cn1 ZINC001090533006 781402192 /nfs/dbraw/zinc/40/21/92/781402192.db2.gz HGGJVFWMPAOYCT-QWRGUYRKSA-N 1 2 293.327 -1.678 20 0 CAADLO Cc1ncc(C[N@H+]2CC[C@H](NC(=O)C(N)=O)[C@@H](O)C2)cn1 ZINC001090533006 781402193 /nfs/dbraw/zinc/40/21/93/781402193.db2.gz HGGJVFWMPAOYCT-QWRGUYRKSA-N 1 2 293.327 -1.678 20 0 CAADLO Cc1ncc(C[N@@H+]2CC[C@@H](NC(=O)C(N)=O)[C@@H](O)C2)cn1 ZINC001090533005 781402447 /nfs/dbraw/zinc/40/24/47/781402447.db2.gz HGGJVFWMPAOYCT-MNOVXSKESA-N 1 2 293.327 -1.678 20 0 CAADLO Cc1ncc(C[N@H+]2CC[C@@H](NC(=O)C(N)=O)[C@@H](O)C2)cn1 ZINC001090533005 781402451 /nfs/dbraw/zinc/40/24/51/781402451.db2.gz HGGJVFWMPAOYCT-MNOVXSKESA-N 1 2 293.327 -1.678 20 0 CAADLO CCn1ccc(C[N@@H+]2CC[C@H](NC(=O)C(N)=O)[C@@H](O)C2)n1 ZINC001090534605 781403879 /nfs/dbraw/zinc/40/38/79/781403879.db2.gz PSSMFTABTBHFOX-QWRGUYRKSA-N 1 2 295.343 -1.560 20 0 CAADLO CCn1ccc(C[N@H+]2CC[C@H](NC(=O)C(N)=O)[C@@H](O)C2)n1 ZINC001090534605 781403889 /nfs/dbraw/zinc/40/38/89/781403889.db2.gz PSSMFTABTBHFOX-QWRGUYRKSA-N 1 2 295.343 -1.560 20 0 CAADLO Cc1cnc(C[N@@H+]2CC[C@@H](NC(=O)C(N)=O)[C@H](O)C2)cn1 ZINC001090536092 781404502 /nfs/dbraw/zinc/40/45/02/781404502.db2.gz ADLJEKODKNYBCM-GHMZBOCLSA-N 1 2 293.327 -1.678 20 0 CAADLO Cc1cnc(C[N@H+]2CC[C@@H](NC(=O)C(N)=O)[C@H](O)C2)cn1 ZINC001090536092 781404507 /nfs/dbraw/zinc/40/45/07/781404507.db2.gz ADLJEKODKNYBCM-GHMZBOCLSA-N 1 2 293.327 -1.678 20 0 CAADLO Cc1nc(C[N@@H+]2CC[C@@H](NC(=O)C(N)=O)[C@H](O)C2)c(C)o1 ZINC001090534991 781405310 /nfs/dbraw/zinc/40/53/10/781405310.db2.gz RMBLDISLZPZHQA-MWLCHTKSSA-N 1 2 296.327 -1.172 20 0 CAADLO Cc1nc(C[N@H+]2CC[C@@H](NC(=O)C(N)=O)[C@H](O)C2)c(C)o1 ZINC001090534991 781405321 /nfs/dbraw/zinc/40/53/21/781405321.db2.gz RMBLDISLZPZHQA-MWLCHTKSSA-N 1 2 296.327 -1.172 20 0 CAADLO Cc1cnc(C[N@@H+]2CC[C@H](NC(=O)C(N)=O)[C@@H](O)C2)cn1 ZINC001090536094 781406087 /nfs/dbraw/zinc/40/60/87/781406087.db2.gz ADLJEKODKNYBCM-QWRGUYRKSA-N 1 2 293.327 -1.678 20 0 CAADLO Cc1cnc(C[N@H+]2CC[C@H](NC(=O)C(N)=O)[C@@H](O)C2)cn1 ZINC001090536094 781406094 /nfs/dbraw/zinc/40/60/94/781406094.db2.gz ADLJEKODKNYBCM-QWRGUYRKSA-N 1 2 293.327 -1.678 20 0 CAADLO Cc1nc(C[N@@H+]2CC[C@H](NC(=O)C(N)=O)[C@@H](O)C2)c(C)o1 ZINC001090534992 781406274 /nfs/dbraw/zinc/40/62/74/781406274.db2.gz RMBLDISLZPZHQA-ONGXEEELSA-N 1 2 296.327 -1.172 20 0 CAADLO Cc1nc(C[N@H+]2CC[C@H](NC(=O)C(N)=O)[C@@H](O)C2)c(C)o1 ZINC001090534992 781406279 /nfs/dbraw/zinc/40/62/79/781406279.db2.gz RMBLDISLZPZHQA-ONGXEEELSA-N 1 2 296.327 -1.172 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2conc2C)[C@H](O)C1 ZINC001090536505 781406895 /nfs/dbraw/zinc/40/68/95/781406895.db2.gz FGKLPFPNXXSYGZ-WDEREUQCSA-N 1 2 296.327 -1.106 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)c2conc2C)[C@H](O)C1 ZINC001090536505 781406900 /nfs/dbraw/zinc/40/69/00/781406900.db2.gz FGKLPFPNXXSYGZ-WDEREUQCSA-N 1 2 296.327 -1.106 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2conc2C)[C@H](O)C1 ZINC001090536502 781407210 /nfs/dbraw/zinc/40/72/10/781407210.db2.gz FGKLPFPNXXSYGZ-GHMZBOCLSA-N 1 2 296.327 -1.106 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2conc2C)[C@H](O)C1 ZINC001090536502 781407218 /nfs/dbraw/zinc/40/72/18/781407218.db2.gz FGKLPFPNXXSYGZ-GHMZBOCLSA-N 1 2 296.327 -1.106 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2conc2C)[C@@H](O)C1 ZINC001090536503 781407862 /nfs/dbraw/zinc/40/78/62/781407862.db2.gz FGKLPFPNXXSYGZ-MNOVXSKESA-N 1 2 296.327 -1.106 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2conc2C)[C@@H](O)C1 ZINC001090536503 781407866 /nfs/dbraw/zinc/40/78/66/781407866.db2.gz FGKLPFPNXXSYGZ-MNOVXSKESA-N 1 2 296.327 -1.106 20 0 CAADLO Cc1nocc1C(=O)N[C@H]1CC[N@H+](CC(N)=O)C[C@@H]1O ZINC001090539289 781408067 /nfs/dbraw/zinc/40/80/67/781408067.db2.gz WUBUEAISXZCXSM-UWVGGRQHSA-N 1 2 282.300 -1.367 20 0 CAADLO Cc1nocc1C(=O)N[C@H]1CC[N@@H+](CC(N)=O)C[C@@H]1O ZINC001090539289 781408074 /nfs/dbraw/zinc/40/80/74/781408074.db2.gz WUBUEAISXZCXSM-UWVGGRQHSA-N 1 2 282.300 -1.367 20 0 CAADLO CCc1nocc1C(=O)N[C@@H]1CC[N@H+](CC(N)=O)C[C@@H]1O ZINC001090557322 781408895 /nfs/dbraw/zinc/40/88/95/781408895.db2.gz YCMPTNFJYHQWDD-MNOVXSKESA-N 1 2 296.327 -1.113 20 0 CAADLO CCc1nocc1C(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C[C@@H]1O ZINC001090557322 781408899 /nfs/dbraw/zinc/40/88/99/781408899.db2.gz YCMPTNFJYHQWDD-MNOVXSKESA-N 1 2 296.327 -1.113 20 0 CAADLO CCc1nocc1C(=O)N[C@H]1CC[N@H+](CC(N)=O)C[C@H]1O ZINC001090557324 781408924 /nfs/dbraw/zinc/40/89/24/781408924.db2.gz YCMPTNFJYHQWDD-WDEREUQCSA-N 1 2 296.327 -1.113 20 0 CAADLO CCc1nocc1C(=O)N[C@H]1CC[N@@H+](CC(N)=O)C[C@H]1O ZINC001090557324 781408928 /nfs/dbraw/zinc/40/89/28/781408928.db2.gz YCMPTNFJYHQWDD-WDEREUQCSA-N 1 2 296.327 -1.113 20 0 CAADLO O=C(N[C@@H]1CC[N@@H+](CCO)C[C@H]1O)c1[nH]ncc1F ZINC001090555702 781409193 /nfs/dbraw/zinc/40/91/93/781409193.db2.gz OFPPCMCXYINQRV-RKDXNWHRSA-N 1 2 272.280 -1.294 20 0 CAADLO O=C(N[C@@H]1CC[N@H+](CCO)C[C@H]1O)c1[nH]ncc1F ZINC001090555702 781409197 /nfs/dbraw/zinc/40/91/97/781409197.db2.gz OFPPCMCXYINQRV-RKDXNWHRSA-N 1 2 272.280 -1.294 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)CC2=CCOCC2)[C@@H](O)C1 ZINC001090545285 781409238 /nfs/dbraw/zinc/40/92/38/781409238.db2.gz ZYPKNMKTRKBDLW-RYUDHWBXSA-N 1 2 297.355 -1.240 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)CC2=CCOCC2)[C@@H](O)C1 ZINC001090545285 781409244 /nfs/dbraw/zinc/40/92/44/781409244.db2.gz ZYPKNMKTRKBDLW-RYUDHWBXSA-N 1 2 297.355 -1.240 20 0 CAADLO CCc1ncoc1C(=O)N[C@H]1CC[N@H+](CC(N)=O)C[C@@H]1O ZINC001090563276 781409268 /nfs/dbraw/zinc/40/92/68/781409268.db2.gz NWDWTSHUCGDRGS-UWVGGRQHSA-N 1 2 296.327 -1.113 20 0 CAADLO CCc1ncoc1C(=O)N[C@H]1CC[N@@H+](CC(N)=O)C[C@@H]1O ZINC001090563276 781409271 /nfs/dbraw/zinc/40/92/71/781409271.db2.gz NWDWTSHUCGDRGS-UWVGGRQHSA-N 1 2 296.327 -1.113 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2n[nH]cc2F)[C@@H](O)C1 ZINC001090553822 781409550 /nfs/dbraw/zinc/40/95/50/781409550.db2.gz RWDCEYAYPWODEF-SFYZADRCSA-N 1 2 285.279 -1.801 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)c2n[nH]cc2F)[C@@H](O)C1 ZINC001090553822 781409554 /nfs/dbraw/zinc/40/95/54/781409554.db2.gz RWDCEYAYPWODEF-SFYZADRCSA-N 1 2 285.279 -1.801 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2n[nH]cc2F)[C@@H](O)C1 ZINC001090553007 781409963 /nfs/dbraw/zinc/40/99/63/781409963.db2.gz ISAPBDPAPRGTQR-IUCAKERBSA-N 1 2 299.306 -1.540 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)c2n[nH]cc2F)[C@@H](O)C1 ZINC001090553007 781409967 /nfs/dbraw/zinc/40/99/67/781409967.db2.gz ISAPBDPAPRGTQR-IUCAKERBSA-N 1 2 299.306 -1.540 20 0 CAADLO Cn1cc(C(=O)N[C@H]2CC[N@H+](CC(N)=O)C[C@@H]2O)[nH]c1=O ZINC001090553613 781410139 /nfs/dbraw/zinc/41/01/39/781410139.db2.gz PBVOTQNYYBSYQU-CBAPKCEASA-N 1 2 297.315 -2.224 20 0 CAADLO Cn1cc(C(=O)N[C@H]2CC[N@@H+](CC(N)=O)C[C@@H]2O)[nH]c1=O ZINC001090553613 781410141 /nfs/dbraw/zinc/41/01/41/781410141.db2.gz PBVOTQNYYBSYQU-CBAPKCEASA-N 1 2 297.315 -2.224 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)CC2=CCOCC2)[C@@H](O)C1 ZINC001090545283 781410327 /nfs/dbraw/zinc/41/03/27/781410327.db2.gz ZYPKNMKTRKBDLW-NEPJUHHUSA-N 1 2 297.355 -1.240 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)CC2=CCOCC2)[C@@H](O)C1 ZINC001090545283 781410335 /nfs/dbraw/zinc/41/03/35/781410335.db2.gz ZYPKNMKTRKBDLW-NEPJUHHUSA-N 1 2 297.355 -1.240 20 0 CAADLO Cc1nc(C)c(C(=O)N[C@H]2CC[N@H+](CC(N)=O)C[C@H]2O)[nH]1 ZINC001090578017 781410998 /nfs/dbraw/zinc/41/09/98/781410998.db2.gz VDOBNWFVXOXQHY-VHSXEESVSA-N 1 2 295.343 -1.323 20 0 CAADLO Cc1nc(C)c(C(=O)N[C@H]2CC[N@@H+](CC(N)=O)C[C@H]2O)[nH]1 ZINC001090578017 781411004 /nfs/dbraw/zinc/41/10/04/781411004.db2.gz VDOBNWFVXOXQHY-VHSXEESVSA-N 1 2 295.343 -1.323 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ccnnc2)[C@H](O)C1 ZINC001090590201 781411586 /nfs/dbraw/zinc/41/15/86/781411586.db2.gz RHFVZHOOKYWAPN-GHMZBOCLSA-N 1 2 293.327 -1.612 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2ccnnc2)[C@H](O)C1 ZINC001090590201 781411593 /nfs/dbraw/zinc/41/15/93/781411593.db2.gz RHFVZHOOKYWAPN-GHMZBOCLSA-N 1 2 293.327 -1.612 20 0 CAADLO Cc1ccn(CC(=O)N[C@H]2CC[N@H+](CC(N)=O)C[C@H]2O)n1 ZINC001090579412 781411639 /nfs/dbraw/zinc/41/16/39/781411639.db2.gz FKQUMEADLIEQJK-WDEREUQCSA-N 1 2 295.343 -1.772 20 0 CAADLO Cc1ccn(CC(=O)N[C@H]2CC[N@@H+](CC(N)=O)C[C@H]2O)n1 ZINC001090579412 781411644 /nfs/dbraw/zinc/41/16/44/781411644.db2.gz FKQUMEADLIEQJK-WDEREUQCSA-N 1 2 295.343 -1.772 20 0 CAADLO Cc1ccn(CC(=O)N[C@@H]2CC[N@H+](CC(N)=O)C[C@H]2O)n1 ZINC001090579409 781411912 /nfs/dbraw/zinc/41/19/12/781411912.db2.gz FKQUMEADLIEQJK-GHMZBOCLSA-N 1 2 295.343 -1.772 20 0 CAADLO Cc1ccn(CC(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C[C@H]2O)n1 ZINC001090579409 781411918 /nfs/dbraw/zinc/41/19/18/781411918.db2.gz FKQUMEADLIEQJK-GHMZBOCLSA-N 1 2 295.343 -1.772 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)c2ccnnc2)[C@@H](O)C1 ZINC001090589754 781412234 /nfs/dbraw/zinc/41/22/34/781412234.db2.gz OTKBUOOPUDUIGY-UWVGGRQHSA-N 1 2 279.300 -1.873 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)c2ccnnc2)[C@@H](O)C1 ZINC001090589754 781412237 /nfs/dbraw/zinc/41/22/37/781412237.db2.gz OTKBUOOPUDUIGY-UWVGGRQHSA-N 1 2 279.300 -1.873 20 0 CAADLO CCn1ccc(C(=O)N[C@@H]2CC[N@H+](CC(N)=O)C[C@H]2O)n1 ZINC001090622077 781413052 /nfs/dbraw/zinc/41/30/52/781413052.db2.gz VDGODCKEAGUGQG-MWLCHTKSSA-N 1 2 295.343 -1.447 20 0 CAADLO CCn1ccc(C(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C[C@H]2O)n1 ZINC001090622077 781413054 /nfs/dbraw/zinc/41/30/54/781413054.db2.gz VDGODCKEAGUGQG-MWLCHTKSSA-N 1 2 295.343 -1.447 20 0 CAADLO CCc1oncc1C(=O)N[C@@H]1CC[N@H+](CC(N)=O)C[C@H]1O ZINC001090617249 781413381 /nfs/dbraw/zinc/41/33/81/781413381.db2.gz TTXSYDKHQQYWNJ-NXEZZACHSA-N 1 2 296.327 -1.113 20 0 CAADLO CCc1oncc1C(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C[C@H]1O ZINC001090617249 781413387 /nfs/dbraw/zinc/41/33/87/781413387.db2.gz TTXSYDKHQQYWNJ-NXEZZACHSA-N 1 2 296.327 -1.113 20 0 CAADLO CCn1ccc(C(=O)N[C@@H]2CC[N@H+](CC(N)=O)C[C@@H]2O)n1 ZINC001090622075 781413636 /nfs/dbraw/zinc/41/36/36/781413636.db2.gz VDGODCKEAGUGQG-KOLCDFICSA-N 1 2 295.343 -1.447 20 0 CAADLO CCn1ccc(C(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C[C@@H]2O)n1 ZINC001090622075 781413638 /nfs/dbraw/zinc/41/36/38/781413638.db2.gz VDGODCKEAGUGQG-KOLCDFICSA-N 1 2 295.343 -1.447 20 0 CAADLO CCc1oncc1C(=O)N[C@@H]1CC[N@H+](CC(N)=O)C[C@@H]1O ZINC001090617258 781413710 /nfs/dbraw/zinc/41/37/10/781413710.db2.gz TTXSYDKHQQYWNJ-ZJUUUORDSA-N 1 2 296.327 -1.113 20 0 CAADLO CCc1oncc1C(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C[C@@H]1O ZINC001090617258 781413715 /nfs/dbraw/zinc/41/37/15/781413715.db2.gz TTXSYDKHQQYWNJ-ZJUUUORDSA-N 1 2 296.327 -1.113 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2nc(C)c[nH]2)[C@@H](O)C1 ZINC001090629787 781414662 /nfs/dbraw/zinc/41/46/62/781414662.db2.gz JEGCFDFLFVWCTA-ZJUUUORDSA-N 1 2 295.343 -1.371 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2nc(C)c[nH]2)[C@@H](O)C1 ZINC001090629787 781414666 /nfs/dbraw/zinc/41/46/66/781414666.db2.gz JEGCFDFLFVWCTA-ZJUUUORDSA-N 1 2 295.343 -1.371 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2nc(C)c[nH]2)[C@H](O)C1 ZINC001090629781 781414719 /nfs/dbraw/zinc/41/47/19/781414719.db2.gz JEGCFDFLFVWCTA-NXEZZACHSA-N 1 2 295.343 -1.371 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2nc(C)c[nH]2)[C@H](O)C1 ZINC001090629781 781414723 /nfs/dbraw/zinc/41/47/23/781414723.db2.gz JEGCFDFLFVWCTA-NXEZZACHSA-N 1 2 295.343 -1.371 20 0 CAADLO Cc1c[nH]c(C(=O)N[C@H]2CC[N@H+](CC(N)=O)C[C@H]2O)n1 ZINC001090632133 781414905 /nfs/dbraw/zinc/41/49/05/781414905.db2.gz CZVXQKHRPXYEIM-DTWKUNHWSA-N 1 2 281.316 -1.632 20 0 CAADLO Cc1c[nH]c(C(=O)N[C@H]2CC[N@@H+](CC(N)=O)C[C@H]2O)n1 ZINC001090632133 781414908 /nfs/dbraw/zinc/41/49/08/781414908.db2.gz CZVXQKHRPXYEIM-DTWKUNHWSA-N 1 2 281.316 -1.632 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cc2cscn2)[C@@H](O)C1 ZINC001090628241 781415353 /nfs/dbraw/zinc/41/53/53/781415353.db2.gz NDGREGBKBDYYTM-ZJUUUORDSA-N 1 2 298.368 -1.278 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)Cc2cscn2)[C@@H](O)C1 ZINC001090628241 781415357 /nfs/dbraw/zinc/41/53/57/781415357.db2.gz NDGREGBKBDYYTM-ZJUUUORDSA-N 1 2 298.368 -1.278 20 0 CAADLO Cc1n[nH]c(C)c1C(=O)N[C@@H]1CC[N@H+](CC(N)=O)C[C@@H]1O ZINC001090647358 781416180 /nfs/dbraw/zinc/41/61/80/781416180.db2.gz OPPMLRAUVOSTPD-ZJUUUORDSA-N 1 2 295.343 -1.323 20 0 CAADLO Cc1n[nH]c(C)c1C(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C[C@@H]1O ZINC001090647358 781416185 /nfs/dbraw/zinc/41/61/85/781416185.db2.gz OPPMLRAUVOSTPD-ZJUUUORDSA-N 1 2 295.343 -1.323 20 0 CAADLO Cn1ncc(C(=O)N[C@H]2CC[N@H+](CCF)C[C@@H]2O)n1 ZINC001090644529 781416512 /nfs/dbraw/zinc/41/65/12/781416512.db2.gz NNGZXOLEDJUCNR-WPRPVWTQSA-N 1 2 271.296 -1.050 20 0 CAADLO Cn1ncc(C(=O)N[C@H]2CC[N@@H+](CCF)C[C@@H]2O)n1 ZINC001090644529 781416517 /nfs/dbraw/zinc/41/65/17/781416517.db2.gz NNGZXOLEDJUCNR-WPRPVWTQSA-N 1 2 271.296 -1.050 20 0 CAADLO CC1(C(=O)N[C@@H]2CC[N@H+](CC(N)=O)C[C@H]2O)CCOCC1 ZINC001090653410 781416741 /nfs/dbraw/zinc/41/67/41/781416741.db2.gz ZLGVFSVRKMJPBJ-GHMZBOCLSA-N 1 2 299.371 -1.160 20 0 CAADLO CC1(C(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C[C@H]2O)CCOCC1 ZINC001090653410 781416743 /nfs/dbraw/zinc/41/67/43/781416743.db2.gz ZLGVFSVRKMJPBJ-GHMZBOCLSA-N 1 2 299.371 -1.160 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ccncn2)[C@H](O)C1 ZINC001090649529 781416831 /nfs/dbraw/zinc/41/68/31/781416831.db2.gz FIWUQROEUYBCQZ-MWLCHTKSSA-N 1 2 293.327 -1.612 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2ccncn2)[C@H](O)C1 ZINC001090649529 781416835 /nfs/dbraw/zinc/41/68/35/781416835.db2.gz FIWUQROEUYBCQZ-MWLCHTKSSA-N 1 2 293.327 -1.612 20 0 CAADLO Cn1ncc(C(=O)N[C@H]2CC[N@H+](CCF)C[C@H]2O)n1 ZINC001090644528 781416859 /nfs/dbraw/zinc/41/68/59/781416859.db2.gz NNGZXOLEDJUCNR-WCBMZHEXSA-N 1 2 271.296 -1.050 20 0 CAADLO Cn1ncc(C(=O)N[C@H]2CC[N@@H+](CCF)C[C@H]2O)n1 ZINC001090644528 781416862 /nfs/dbraw/zinc/41/68/62/781416862.db2.gz NNGZXOLEDJUCNR-WCBMZHEXSA-N 1 2 271.296 -1.050 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cnn(C)n2)[C@H](O)C1 ZINC001090644580 781416995 /nfs/dbraw/zinc/41/69/95/781416995.db2.gz OCVAGMHVEJCKMX-WCBMZHEXSA-N 1 2 296.331 -2.274 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cnn(C)n2)[C@H](O)C1 ZINC001090644580 781416998 /nfs/dbraw/zinc/41/69/98/781416998.db2.gz OCVAGMHVEJCKMX-WCBMZHEXSA-N 1 2 296.331 -2.274 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2ccncn2)[C@@H](O)C1 ZINC001090649530 781417325 /nfs/dbraw/zinc/41/73/25/781417325.db2.gz FIWUQROEUYBCQZ-ONGXEEELSA-N 1 2 293.327 -1.612 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)c2ccncn2)[C@@H](O)C1 ZINC001090649530 781417328 /nfs/dbraw/zinc/41/73/28/781417328.db2.gz FIWUQROEUYBCQZ-ONGXEEELSA-N 1 2 293.327 -1.612 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cnon2)[C@H](O)C1 ZINC001090660440 781418153 /nfs/dbraw/zinc/41/81/53/781418153.db2.gz RRKOMQGHETWPNN-HTRCEHHLSA-N 1 2 269.261 -2.280 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cnon2)[C@H](O)C1 ZINC001090660440 781418157 /nfs/dbraw/zinc/41/81/57/781418157.db2.gz RRKOMQGHETWPNN-HTRCEHHLSA-N 1 2 269.261 -2.280 20 0 CAADLO CN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)c2cnon2)[C@@H](O)C1 ZINC001090660147 781418226 /nfs/dbraw/zinc/41/82/26/781418226.db2.gz OJCMLOPDTSHTGQ-WPRPVWTQSA-N 1 2 297.315 -1.677 20 0 CAADLO CN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)c2cnon2)[C@@H](O)C1 ZINC001090660147 781418234 /nfs/dbraw/zinc/41/82/34/781418234.db2.gz OJCMLOPDTSHTGQ-WPRPVWTQSA-N 1 2 297.315 -1.677 20 0 CAADLO O=C(N[C@H]1CC[N@@H+](CCO)C[C@H]1O)c1nc[nH]n1 ZINC001090657412 781418468 /nfs/dbraw/zinc/41/84/68/781418468.db2.gz AGFZMKHAXCXKEP-JGVFFNPUSA-N 1 2 255.278 -2.038 20 0 CAADLO O=C(N[C@H]1CC[N@H+](CCO)C[C@H]1O)c1nc[nH]n1 ZINC001090657412 781418478 /nfs/dbraw/zinc/41/84/78/781418478.db2.gz AGFZMKHAXCXKEP-JGVFFNPUSA-N 1 2 255.278 -2.038 20 0 CAADLO CN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)c2cnon2)[C@H](O)C1 ZINC001090660146 781418950 /nfs/dbraw/zinc/41/89/50/781418950.db2.gz OJCMLOPDTSHTGQ-WCBMZHEXSA-N 1 2 297.315 -1.677 20 0 CAADLO CN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)c2cnon2)[C@H](O)C1 ZINC001090660146 781418957 /nfs/dbraw/zinc/41/89/57/781418957.db2.gz OJCMLOPDTSHTGQ-WCBMZHEXSA-N 1 2 297.315 -1.677 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cnon2)[C@H](O)C1 ZINC001090659826 781419004 /nfs/dbraw/zinc/41/90/04/781419004.db2.gz LSRCKHCARZEHGH-VXNVDRBHSA-N 1 2 283.288 -2.019 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cnon2)[C@H](O)C1 ZINC001090659826 781419012 /nfs/dbraw/zinc/41/90/12/781419012.db2.gz LSRCKHCARZEHGH-VXNVDRBHSA-N 1 2 283.288 -2.019 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2ncccn2)[C@H](O)C1 ZINC001090661237 781419075 /nfs/dbraw/zinc/41/90/75/781419075.db2.gz ZUFUCLUKQREGJW-VHSXEESVSA-N 1 2 293.327 -1.612 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)c2ncccn2)[C@H](O)C1 ZINC001090661237 781419078 /nfs/dbraw/zinc/41/90/78/781419078.db2.gz ZUFUCLUKQREGJW-VHSXEESVSA-N 1 2 293.327 -1.612 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cnon2)[C@@H](O)C1 ZINC001090659823 781419322 /nfs/dbraw/zinc/41/93/22/781419322.db2.gz LSRCKHCARZEHGH-APPZFPTMSA-N 1 2 283.288 -2.019 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cnon2)[C@@H](O)C1 ZINC001090659823 781419323 /nfs/dbraw/zinc/41/93/23/781419323.db2.gz LSRCKHCARZEHGH-APPZFPTMSA-N 1 2 283.288 -2.019 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ncccc2F)[C@@H](O)C1 ZINC001090676322 781420215 /nfs/dbraw/zinc/42/02/15/781420215.db2.gz NKWDJPBLKIBOSA-ZJUUUORDSA-N 1 2 296.302 -1.129 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)c2ncccc2F)[C@@H](O)C1 ZINC001090676322 781420222 /nfs/dbraw/zinc/42/02/22/781420222.db2.gz NKWDJPBLKIBOSA-ZJUUUORDSA-N 1 2 296.302 -1.129 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cccnn2)[C@H](O)C1 ZINC001090667996 781420295 /nfs/dbraw/zinc/42/02/95/781420295.db2.gz QPUNZCBEOFXIMV-WCBMZHEXSA-N 1 2 279.300 -1.873 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)c2cccnn2)[C@H](O)C1 ZINC001090667996 781420299 /nfs/dbraw/zinc/42/02/99/781420299.db2.gz QPUNZCBEOFXIMV-WCBMZHEXSA-N 1 2 279.300 -1.873 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2nccs2)[C@H](O)C1 ZINC001090672463 781420353 /nfs/dbraw/zinc/42/03/53/781420353.db2.gz UCBPNZBJTQLFCC-HTQZYQBOSA-N 1 2 284.341 -1.207 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)c2nccs2)[C@H](O)C1 ZINC001090672463 781420360 /nfs/dbraw/zinc/42/03/60/781420360.db2.gz UCBPNZBJTQLFCC-HTQZYQBOSA-N 1 2 284.341 -1.207 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)c2nccs2)[C@H](O)C1 ZINC001090672464 781420403 /nfs/dbraw/zinc/42/04/03/781420403.db2.gz UCBPNZBJTQLFCC-JGVFFNPUSA-N 1 2 284.341 -1.207 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)c2nccs2)[C@H](O)C1 ZINC001090672464 781420406 /nfs/dbraw/zinc/42/04/06/781420406.db2.gz UCBPNZBJTQLFCC-JGVFFNPUSA-N 1 2 284.341 -1.207 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cc2ccco2)[C@@H](O)C1 ZINC001090664803 781420580 /nfs/dbraw/zinc/42/05/80/781420580.db2.gz MLUJKOMGHLXHEA-MNOVXSKESA-N 1 2 281.312 -1.141 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)Cc2ccco2)[C@@H](O)C1 ZINC001090664803 781420584 /nfs/dbraw/zinc/42/05/84/781420584.db2.gz MLUJKOMGHLXHEA-MNOVXSKESA-N 1 2 281.312 -1.141 20 0 CAADLO CCn1cc(C(=O)N[C@H]2CC[N@H+](CC(N)=O)C[C@@H]2O)nn1 ZINC001090682813 781420642 /nfs/dbraw/zinc/42/06/42/781420642.db2.gz MZYPRAOLRKTVGX-WPRPVWTQSA-N 1 2 296.331 -2.052 20 0 CAADLO CCn1cc(C(=O)N[C@H]2CC[N@@H+](CC(N)=O)C[C@@H]2O)nn1 ZINC001090682813 781420647 /nfs/dbraw/zinc/42/06/47/781420647.db2.gz MZYPRAOLRKTVGX-WPRPVWTQSA-N 1 2 296.331 -2.052 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ncccc2F)[C@H](O)C1 ZINC001090676319 781420683 /nfs/dbraw/zinc/42/06/83/781420683.db2.gz NKWDJPBLKIBOSA-NXEZZACHSA-N 1 2 296.302 -1.129 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)c2ncccc2F)[C@H](O)C1 ZINC001090676319 781420684 /nfs/dbraw/zinc/42/06/84/781420684.db2.gz NKWDJPBLKIBOSA-NXEZZACHSA-N 1 2 296.302 -1.129 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cccnn2)[C@H](O)C1 ZINC001090667852 781420794 /nfs/dbraw/zinc/42/07/94/781420794.db2.gz PAKZOLSEXAAICI-GXSJLCMTSA-N 1 2 293.327 -1.612 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cccnn2)[C@H](O)C1 ZINC001090667852 781420799 /nfs/dbraw/zinc/42/07/99/781420799.db2.gz PAKZOLSEXAAICI-GXSJLCMTSA-N 1 2 293.327 -1.612 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)c2nccs2)[C@@H](O)C1 ZINC001090672466 781420919 /nfs/dbraw/zinc/42/09/19/781420919.db2.gz UCBPNZBJTQLFCC-YUMQZZPRSA-N 1 2 284.341 -1.207 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)c2nccs2)[C@@H](O)C1 ZINC001090672466 781420926 /nfs/dbraw/zinc/42/09/26/781420926.db2.gz UCBPNZBJTQLFCC-YUMQZZPRSA-N 1 2 284.341 -1.207 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)Cc2ncc[nH]2)[C@@H](O)C1 ZINC001090675877 781420990 /nfs/dbraw/zinc/42/09/90/781420990.db2.gz LCZQDPRIKZYOCE-IUCAKERBSA-N 1 2 281.316 -2.011 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)Cc2ncc[nH]2)[C@@H](O)C1 ZINC001090675877 781420991 /nfs/dbraw/zinc/42/09/91/781420991.db2.gz LCZQDPRIKZYOCE-IUCAKERBSA-N 1 2 281.316 -2.011 20 0 CAADLO COc1ccc(C(=O)N[C@@H]2CC[N@H+](CC(N)=O)C[C@H]2O)o1 ZINC001090673258 781421004 /nfs/dbraw/zinc/42/10/04/781421004.db2.gz KAGNUVMKENAVBL-RKDXNWHRSA-N 1 2 297.311 -1.062 20 0 CAADLO COc1ccc(C(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C[C@H]2O)o1 ZINC001090673258 781421009 /nfs/dbraw/zinc/42/10/09/781421009.db2.gz KAGNUVMKENAVBL-RKDXNWHRSA-N 1 2 297.311 -1.062 20 0 CAADLO Cc1nc(C(=O)N[C@H]2CC[N@H+](CC(N)=O)C[C@@H]2O)c(C)o1 ZINC001090676960 781421016 /nfs/dbraw/zinc/42/10/16/781421016.db2.gz WIUYKQLRHQRIHU-UWVGGRQHSA-N 1 2 296.327 -1.058 20 0 CAADLO Cc1nc(C(=O)N[C@H]2CC[N@@H+](CC(N)=O)C[C@@H]2O)c(C)o1 ZINC001090676960 781421021 /nfs/dbraw/zinc/42/10/21/781421021.db2.gz WIUYKQLRHQRIHU-UWVGGRQHSA-N 1 2 296.327 -1.058 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2oncc2C)[C@@H](O)C1 ZINC001090690898 781422189 /nfs/dbraw/zinc/42/21/89/781422189.db2.gz VLPDRYJGHNHERV-UWVGGRQHSA-N 1 2 296.327 -1.106 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)c2oncc2C)[C@@H](O)C1 ZINC001090690898 781422194 /nfs/dbraw/zinc/42/21/94/781422194.db2.gz VLPDRYJGHNHERV-UWVGGRQHSA-N 1 2 296.327 -1.106 20 0 CAADLO Cc1cnoc1C(=O)N[C@@H]1CC[N@H+](CC(N)=O)C[C@H]1O ZINC001090691205 781422312 /nfs/dbraw/zinc/42/23/12/781422312.db2.gz AHAAFUUMDVCIFN-RKDXNWHRSA-N 1 2 282.300 -1.367 20 0 CAADLO Cc1cnoc1C(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C[C@H]1O ZINC001090691205 781422315 /nfs/dbraw/zinc/42/23/15/781422315.db2.gz AHAAFUUMDVCIFN-RKDXNWHRSA-N 1 2 282.300 -1.367 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)Cc2nc[nH]n2)[C@@H](O)C1 ZINC001090708801 781423755 /nfs/dbraw/zinc/42/37/55/781423755.db2.gz YNIZPUYHWACSOV-IUCAKERBSA-N 1 2 296.331 -2.355 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)Cc2nc[nH]n2)[C@@H](O)C1 ZINC001090708801 781423761 /nfs/dbraw/zinc/42/37/61/781423761.db2.gz YNIZPUYHWACSOV-IUCAKERBSA-N 1 2 296.331 -2.355 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cc2nc[nH]n2)[C@H](O)C1 ZINC001090708623 781424784 /nfs/dbraw/zinc/42/47/84/781424784.db2.gz WAOFLBUDQHZEKI-HTQZYQBOSA-N 1 2 282.304 -2.616 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)Cc2nc[nH]n2)[C@H](O)C1 ZINC001090708623 781424790 /nfs/dbraw/zinc/42/47/90/781424790.db2.gz WAOFLBUDQHZEKI-HTQZYQBOSA-N 1 2 282.304 -2.616 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)Cc2nc[nH]n2)[C@H](O)C1 ZINC001090708624 781424917 /nfs/dbraw/zinc/42/49/17/781424917.db2.gz WAOFLBUDQHZEKI-JGVFFNPUSA-N 1 2 282.304 -2.616 20 0 CAADLO NC(=O)C[N@H+]1CC[C@H](NC(=O)Cc2nc[nH]n2)[C@H](O)C1 ZINC001090708624 781424921 /nfs/dbraw/zinc/42/49/21/781424921.db2.gz WAOFLBUDQHZEKI-JGVFFNPUSA-N 1 2 282.304 -2.616 20 0 CAADLO O=C(Cc1nc[nH]n1)N[C@@H]1CC[N@@H+](CCF)C[C@H]1O ZINC001090707774 781425248 /nfs/dbraw/zinc/42/52/48/781425248.db2.gz NUJBAUNXNHCMAL-RKDXNWHRSA-N 1 2 271.296 -1.132 20 0 CAADLO O=C(Cc1nc[nH]n1)N[C@@H]1CC[N@H+](CCF)C[C@H]1O ZINC001090707774 781425257 /nfs/dbraw/zinc/42/52/57/781425257.db2.gz NUJBAUNXNHCMAL-RKDXNWHRSA-N 1 2 271.296 -1.132 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cc2nc[nH]n2)[C@H](O)C1 ZINC001090708802 781425322 /nfs/dbraw/zinc/42/53/22/781425322.db2.gz YNIZPUYHWACSOV-RKDXNWHRSA-N 1 2 296.331 -2.355 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)Cc2nc[nH]n2)[C@H](O)C1 ZINC001090708802 781425330 /nfs/dbraw/zinc/42/53/30/781425330.db2.gz YNIZPUYHWACSOV-RKDXNWHRSA-N 1 2 296.331 -2.355 20 0 CAADLO CCc1cc(C(=O)N[C@@H]2CC[N@H+](CC(N)=O)C[C@H]2O)no1 ZINC001090739148 781426150 /nfs/dbraw/zinc/42/61/50/781426150.db2.gz GBYYXICTHGRHIC-MWLCHTKSSA-N 1 2 296.327 -1.113 20 0 CAADLO CCc1cc(C(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C[C@H]2O)no1 ZINC001090739148 781426156 /nfs/dbraw/zinc/42/61/56/781426156.db2.gz GBYYXICTHGRHIC-MWLCHTKSSA-N 1 2 296.327 -1.113 20 0 CAADLO CCn1cnc(C(=O)N[C@H]2CC[N@H+](CC(N)=O)C[C@H]2O)c1 ZINC001090734577 781427143 /nfs/dbraw/zinc/42/71/43/781427143.db2.gz NLEUHTKCVAEONZ-GXSJLCMTSA-N 1 2 295.343 -1.447 20 0 CAADLO CCn1cnc(C(=O)N[C@H]2CC[N@@H+](CC(N)=O)C[C@H]2O)c1 ZINC001090734577 781427151 /nfs/dbraw/zinc/42/71/51/781427151.db2.gz NLEUHTKCVAEONZ-GXSJLCMTSA-N 1 2 295.343 -1.447 20 0 CAADLO CCc1cc(C(=O)N[C@H]2CC[N@H+](CC(N)=O)C[C@H]2O)no1 ZINC001090739146 781427321 /nfs/dbraw/zinc/42/73/21/781427321.db2.gz GBYYXICTHGRHIC-GXSJLCMTSA-N 1 2 296.327 -1.113 20 0 CAADLO CCc1cc(C(=O)N[C@H]2CC[N@@H+](CC(N)=O)C[C@H]2O)no1 ZINC001090739146 781427326 /nfs/dbraw/zinc/42/73/26/781427326.db2.gz GBYYXICTHGRHIC-GXSJLCMTSA-N 1 2 296.327 -1.113 20 0 CAADLO CCc1nc[nH]c1C(=O)N[C@H]1CC[N@H+](CC(N)=O)C[C@@H]1O ZINC001090764141 781428867 /nfs/dbraw/zinc/42/88/67/781428867.db2.gz BVENKYCWGWVMCS-UWVGGRQHSA-N 1 2 295.343 -1.378 20 0 CAADLO CCc1nc[nH]c1C(=O)N[C@H]1CC[N@@H+](CC(N)=O)C[C@@H]1O ZINC001090764141 781428871 /nfs/dbraw/zinc/42/88/71/781428871.db2.gz BVENKYCWGWVMCS-UWVGGRQHSA-N 1 2 295.343 -1.378 20 0 CAADLO CCc1nc[nH]c1C(=O)N[C@@H]1CC[N@H+](CC(N)=O)C[C@@H]1O ZINC001090764143 781429035 /nfs/dbraw/zinc/42/90/35/781429035.db2.gz BVENKYCWGWVMCS-ZJUUUORDSA-N 1 2 295.343 -1.378 20 0 CAADLO CCc1nc[nH]c1C(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C[C@@H]1O ZINC001090764143 781429039 /nfs/dbraw/zinc/42/90/39/781429039.db2.gz BVENKYCWGWVMCS-ZJUUUORDSA-N 1 2 295.343 -1.378 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ccc(=O)[nH]c2)[C@H](O)C1 ZINC001090779305 781430651 /nfs/dbraw/zinc/43/06/51/781430651.db2.gz CYROTLSXFJTKNN-NXEZZACHSA-N 1 2 294.311 -1.563 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)c2ccc(=O)[nH]c2)[C@H](O)C1 ZINC001090779305 781430656 /nfs/dbraw/zinc/43/06/56/781430656.db2.gz CYROTLSXFJTKNN-NXEZZACHSA-N 1 2 294.311 -1.563 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cn2cncn2)[C@H](O)C1 ZINC001090786827 781430686 /nfs/dbraw/zinc/43/06/86/781430686.db2.gz JEGVVEZSLIDBQG-RKDXNWHRSA-N 1 2 282.304 -2.685 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)Cn2cncn2)[C@H](O)C1 ZINC001090786827 781430690 /nfs/dbraw/zinc/43/06/90/781430690.db2.gz JEGVVEZSLIDBQG-RKDXNWHRSA-N 1 2 282.304 -2.685 20 0 CAADLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ccc(=O)[nH]c2)[C@@H](O)C1 ZINC001090779310 781431346 /nfs/dbraw/zinc/43/13/46/781431346.db2.gz CYROTLSXFJTKNN-ZJUUUORDSA-N 1 2 294.311 -1.563 20 0 CAADLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)c2ccc(=O)[nH]c2)[C@@H](O)C1 ZINC001090779310 781431351 /nfs/dbraw/zinc/43/13/51/781431351.db2.gz CYROTLSXFJTKNN-ZJUUUORDSA-N 1 2 294.311 -1.563 20 0 CAADLO Cc1nccc(C(=O)N[C@H]2CC[N@H+](CC(N)=O)C[C@@H]2O)n1 ZINC001090820019 781435626 /nfs/dbraw/zinc/43/56/26/781435626.db2.gz LQKWINZBBUTWPD-ONGXEEELSA-N 1 2 293.327 -1.565 20 0 CAADLO Cc1nccc(C(=O)N[C@H]2CC[N@@H+](CC(N)=O)C[C@@H]2O)n1 ZINC001090820019 781435630 /nfs/dbraw/zinc/43/56/30/781435630.db2.gz LQKWINZBBUTWPD-ONGXEEELSA-N 1 2 293.327 -1.565 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2ccn(C)n2)[C@@H](O)C1 ZINC001090809185 781436097 /nfs/dbraw/zinc/43/60/97/781436097.db2.gz SMPAOVPLTVEWQZ-ONGXEEELSA-N 1 2 295.343 -1.669 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)c2ccn(C)n2)[C@@H](O)C1 ZINC001090809185 781436101 /nfs/dbraw/zinc/43/61/01/781436101.db2.gz SMPAOVPLTVEWQZ-ONGXEEELSA-N 1 2 295.343 -1.669 20 0 CAADLO NC(=O)CN1CC[C@@H](NC(=O)Cn2cc[nH+]c2)[C@H](O)C1 ZINC001090847394 781436826 /nfs/dbraw/zinc/43/68/26/781436826.db2.gz UFKUKFUSEQADAX-NXEZZACHSA-N 1 2 281.316 -2.080 20 0 CAADLO Cc1nc[nH]c1C(=O)N[C@H]1CC[N@H+](CC(N)=O)C[C@@H]1O ZINC001090847684 781437049 /nfs/dbraw/zinc/43/70/49/781437049.db2.gz AIDBQYROZMOBJN-IUCAKERBSA-N 1 2 281.316 -1.632 20 0 CAADLO Cc1nc[nH]c1C(=O)N[C@H]1CC[N@@H+](CC(N)=O)C[C@@H]1O ZINC001090847684 781437052 /nfs/dbraw/zinc/43/70/52/781437052.db2.gz AIDBQYROZMOBJN-IUCAKERBSA-N 1 2 281.316 -1.632 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2nonc2C)[C@@H](O)C1 ZINC001090851240 781437117 /nfs/dbraw/zinc/43/71/17/781437117.db2.gz AWDXARBXPCYUSV-BDAKNGLRSA-N 1 2 297.315 -1.711 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2nonc2C)[C@@H](O)C1 ZINC001090851240 781437119 /nfs/dbraw/zinc/43/71/19/781437119.db2.gz AWDXARBXPCYUSV-BDAKNGLRSA-N 1 2 297.315 -1.711 20 0 CAADLO NC(=O)CN1CC[C@H](NC(=O)Cn2cc[nH+]c2)[C@@H](O)C1 ZINC001090847395 781437265 /nfs/dbraw/zinc/43/72/65/781437265.db2.gz UFKUKFUSEQADAX-UWVGGRQHSA-N 1 2 281.316 -2.080 20 0 CAADLO Cc1nonc1C(=O)N[C@H]1CC[N@H+](CC(N)=O)C[C@H]1O ZINC001090852180 781437742 /nfs/dbraw/zinc/43/77/42/781437742.db2.gz NYCHIRIGTXLKTO-JGVFFNPUSA-N 1 2 283.288 -1.972 20 0 CAADLO Cc1nonc1C(=O)N[C@H]1CC[N@@H+](CC(N)=O)C[C@H]1O ZINC001090852180 781437747 /nfs/dbraw/zinc/43/77/47/781437747.db2.gz NYCHIRIGTXLKTO-JGVFFNPUSA-N 1 2 283.288 -1.972 20 0 CAADLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2nonc2C)[C@H](O)C1 ZINC001090851241 781437905 /nfs/dbraw/zinc/43/79/05/781437905.db2.gz AWDXARBXPCYUSV-DTWKUNHWSA-N 1 2 297.315 -1.711 20 0 CAADLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)c2nonc2C)[C@H](O)C1 ZINC001090851241 781437909 /nfs/dbraw/zinc/43/79/09/781437909.db2.gz AWDXARBXPCYUSV-DTWKUNHWSA-N 1 2 297.315 -1.711 20 0 CAADLO CCOC(=O)C[C@@H]1C(=O)NCCN1C(=O)[C@@H]1COCC[NH2+]1 ZINC001160441758 781439042 /nfs/dbraw/zinc/43/90/42/781439042.db2.gz XJJXLZOGCANOEI-VHSXEESVSA-N 1 2 299.327 -1.745 20 0 CAADLO NC(=O)C[N@@H+]1CCCO[C@H](CNC(=O)Cn2cnnn2)C1 ZINC001149145131 781447419 /nfs/dbraw/zinc/44/74/19/781447419.db2.gz XLFNGLYXEXUURA-SECBINFHSA-N 1 2 297.319 -2.635 20 0 CAADLO NC(=O)C[N@H+]1CCCO[C@H](CNC(=O)Cn2cnnn2)C1 ZINC001149145131 781447421 /nfs/dbraw/zinc/44/74/21/781447421.db2.gz XLFNGLYXEXUURA-SECBINFHSA-N 1 2 297.319 -2.635 20 0 CAADLO Cc1c[nH]c(CCNC(=O)[C@@H]2CC(=O)NC(=O)N2)[nH+]1 ZINC001144336188 781449595 /nfs/dbraw/zinc/44/95/95/781449595.db2.gz MAROMZSLJLUWBW-ZETCQYMHSA-N 1 2 265.273 -1.025 20 0 CAADLO O=C(N[C@@H](CO)Cc1c[nH]c[nH+]1)[C@@H]1CC(=O)NC(=O)N1 ZINC001144336606 781449684 /nfs/dbraw/zinc/44/96/84/781449684.db2.gz YJZUPOZMFDHFMG-SFYZADRCSA-N 1 2 281.272 -1.973 20 0 CAADLO O=C(N[C@@H](CO)Cc1c[nH+]c[nH]1)[C@@H]1CC(=O)NC(=O)N1 ZINC001144336606 781449687 /nfs/dbraw/zinc/44/96/87/781449687.db2.gz YJZUPOZMFDHFMG-SFYZADRCSA-N 1 2 281.272 -1.973 20 0 CAADLO O=C([C@@H]1CC(=O)NC(=O)N1)N1CCc2[nH+]ccn2CC1 ZINC001144333710 781449741 /nfs/dbraw/zinc/44/97/41/781449741.db2.gz WIWUJTZURMIHTE-QMMMGPOBSA-N 1 2 277.284 -1.134 20 0 CAADLO COCCn1c[nH+]cc1CNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001144336510 781450405 /nfs/dbraw/zinc/45/04/05/781450405.db2.gz UILXQQGTHRSIIC-VIFPVBQESA-N 1 2 295.299 -1.256 20 0 CAADLO [NH3+][C@@H](Cc1nn[nH]n1)C(=O)N1CC(N2CCNC(=O)C2)C1 ZINC001160638157 781457471 /nfs/dbraw/zinc/45/74/71/781457471.db2.gz XFTCDVFWBUHMGR-QMMMGPOBSA-N 1 2 294.319 -3.288 20 0 CAADLO C[C@H]1COCC[N@@H+]1CCNC(=O)CCCS(N)(=O)=O ZINC001144594173 781460429 /nfs/dbraw/zinc/46/04/29/781460429.db2.gz AQHDMHSQPLQIHI-JTQLQIEISA-N 1 2 293.389 -1.108 20 0 CAADLO C[C@H]1COCC[N@H+]1CCNC(=O)CCCS(N)(=O)=O ZINC001144594173 781460432 /nfs/dbraw/zinc/46/04/32/781460432.db2.gz AQHDMHSQPLQIHI-JTQLQIEISA-N 1 2 293.389 -1.108 20 0 CAADLO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)[C@H]1C[C@H]1C(N)=O ZINC001144613100 781460648 /nfs/dbraw/zinc/46/06/48/781460648.db2.gz NLEPNWFGUKGKTL-AXFHLTTASA-N 1 2 268.361 -1.140 20 0 CAADLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)C[C@@H]1NC(=O)NC1=O ZINC001144612526 781461101 /nfs/dbraw/zinc/46/11/01/781461101.db2.gz FAFRCCHECIYBBZ-ZJUUUORDSA-N 1 2 297.359 -1.663 20 0 CAADLO COC(=O)[C@@H]1C[C@@H]([N@@H+]2CCOC[C@](C)(O)C2)CN1 ZINC001246592859 781463949 /nfs/dbraw/zinc/46/39/49/781463949.db2.gz QUOWGBWJFQQICK-JFGNBEQYSA-N 1 2 258.318 -1.027 20 0 CAADLO COC(=O)[C@@H]1C[C@@H]([N@H+]2CCOC[C@](C)(O)C2)CN1 ZINC001246592859 781463953 /nfs/dbraw/zinc/46/39/53/781463953.db2.gz QUOWGBWJFQQICK-JFGNBEQYSA-N 1 2 258.318 -1.027 20 0 CAADLO COC(=O)[C@@H]1C[C@H]([N@@H+]2CC[C@@H](O)[C@@](C)(CO)C2)CN1 ZINC001246590270 781464141 /nfs/dbraw/zinc/46/41/41/781464141.db2.gz JBKUQWRTMXAVHT-MEWQQHAOSA-N 1 2 272.345 -1.045 20 0 CAADLO COC(=O)[C@@H]1C[C@H]([N@H+]2CC[C@@H](O)[C@@](C)(CO)C2)CN1 ZINC001246590270 781464144 /nfs/dbraw/zinc/46/41/44/781464144.db2.gz JBKUQWRTMXAVHT-MEWQQHAOSA-N 1 2 272.345 -1.045 20 0 CAADLO COC(=O)[C@@H]1C[C@H]([N@@H+]2CCOC[C@](C)(O)C2)CN1 ZINC001246592852 781464479 /nfs/dbraw/zinc/46/44/79/781464479.db2.gz QUOWGBWJFQQICK-JBLDHEPKSA-N 1 2 258.318 -1.027 20 0 CAADLO COC(=O)[C@@H]1C[C@H]([N@H+]2CCOC[C@](C)(O)C2)CN1 ZINC001246592852 781464482 /nfs/dbraw/zinc/46/44/82/781464482.db2.gz QUOWGBWJFQQICK-JBLDHEPKSA-N 1 2 258.318 -1.027 20 0 CAADLO Cn1cncc1CC(=O)NCCC[NH2+]Cc1nnn(C)n1 ZINC001171238479 781467341 /nfs/dbraw/zinc/46/73/41/781467341.db2.gz POKQZBIFMMJBMI-UHFFFAOYSA-N 1 2 292.347 -1.218 20 0 CAADLO O=C(NCCn1cc[nH+]c1)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO ZINC001144895642 781468013 /nfs/dbraw/zinc/46/80/13/781468013.db2.gz WGXHRLHXMXHWFB-HRDYMLBCSA-N 1 2 287.272 -3.357 20 0 CAADLO COCCC1(C(=O)N[C@@H]2CC[N@H+](CC(N)=O)C[C@@H]2O)CC1 ZINC001099873801 781480479 /nfs/dbraw/zinc/48/04/79/781480479.db2.gz APEBTEBCHLYELY-MNOVXSKESA-N 1 2 299.371 -1.160 20 0 CAADLO COCCC1(C(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C[C@@H]2O)CC1 ZINC001099873801 781480488 /nfs/dbraw/zinc/48/04/88/781480488.db2.gz APEBTEBCHLYELY-MNOVXSKESA-N 1 2 299.371 -1.160 20 0 CAADLO COC(=O)[C@@H]1C[C@H](N2C[C@@H](F)C[C@H]2C(N)=O)C[NH2+]1 ZINC001246805682 781481779 /nfs/dbraw/zinc/48/17/79/781481779.db2.gz RXBWSCXDILZZOV-JBDRJPRFSA-N 1 2 259.281 -1.212 20 0 CAADLO O=C(NCCOc1cc[nH+]cc1)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1 ZINC001146631897 781488919 /nfs/dbraw/zinc/48/89/19/781488919.db2.gz JMVOJLHLRHNVGD-JHJVBQTASA-N 1 2 294.307 -1.011 20 0 CAADLO C[N@@H+]1CCO[C@H](CNC(=O)C2=C[C@@H](O)[C@@H](O)[C@H](O)C2)C1 ZINC001146626691 781489300 /nfs/dbraw/zinc/48/93/00/781489300.db2.gz OWWLNSLUMQDKSK-DDHJBXDOSA-N 1 2 286.328 -2.154 20 0 CAADLO C[N@H+]1CCO[C@H](CNC(=O)C2=C[C@@H](O)[C@@H](O)[C@H](O)C2)C1 ZINC001146626691 781489305 /nfs/dbraw/zinc/48/93/05/781489305.db2.gz OWWLNSLUMQDKSK-DDHJBXDOSA-N 1 2 286.328 -2.154 20 0 CAADLO CCN(C(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1)C1C[NH+](C)C1 ZINC001146626237 781489666 /nfs/dbraw/zinc/48/96/66/781489666.db2.gz DCQAPODNJODPCD-IJLUTSLNSA-N 1 2 270.329 -1.438 20 0 CAADLO Cn1ncnc1C(=O)NCC[NH+]1CC2(COC2)C1 ZINC001147001516 781497276 /nfs/dbraw/zinc/49/72/76/781497276.db2.gz KWXNSZQTCPRNOR-UHFFFAOYSA-N 1 2 251.290 -1.123 20 0 CAADLO C[C@@H]1CCN(C(=O)C(=O)NCC[NH2+]Cc2nncn2C)C1 ZINC001147167944 781502734 /nfs/dbraw/zinc/50/27/34/781502734.db2.gz ODJVVAAAPOJZRW-SNVBAGLBSA-N 1 2 294.359 -1.111 20 0 CAADLO C[C@H]1CCN(C(=O)C(=O)NCC[NH2+]Cc2cn(C)nn2)C1 ZINC001147177177 781504029 /nfs/dbraw/zinc/50/40/29/781504029.db2.gz ZNUPURQZHZSMLP-JTQLQIEISA-N 1 2 294.359 -1.111 20 0 CAADLO COCc1noc(C[NH2+]CCNC(=O)Cc2nc[nH]n2)n1 ZINC001147277879 781508087 /nfs/dbraw/zinc/50/80/87/781508087.db2.gz OYYFADWKAAKFRX-UHFFFAOYSA-N 1 2 295.303 -1.217 20 0 CAADLO C[N@@H+]1CCO[C@@H](CNC(=O)c2cc3n(n2)CCNC3=O)C1 ZINC001147549218 781513048 /nfs/dbraw/zinc/51/30/48/781513048.db2.gz NKMAEIACKWKJCQ-VIFPVBQESA-N 1 2 293.327 -1.313 20 0 CAADLO C[N@H+]1CCO[C@@H](CNC(=O)c2cc3n(n2)CCNC3=O)C1 ZINC001147549218 781513055 /nfs/dbraw/zinc/51/30/55/781513055.db2.gz NKMAEIACKWKJCQ-VIFPVBQESA-N 1 2 293.327 -1.313 20 0 CAADLO NC(=O)C[NH2+]CCNC(=O)[C@H]1CCc2[nH]nnc2C1 ZINC001147688578 781516747 /nfs/dbraw/zinc/51/67/47/781516747.db2.gz OUTHMZKVCCNWKR-ZETCQYMHSA-N 1 2 266.305 -1.899 20 0 CAADLO NC(=O)C[NH2+]CCNC(=O)[C@H]1CCc2nn[nH]c2C1 ZINC001147688578 781516754 /nfs/dbraw/zinc/51/67/54/781516754.db2.gz OUTHMZKVCCNWKR-ZETCQYMHSA-N 1 2 266.305 -1.899 20 0 CAADLO CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCc2nn[nH]c2C1 ZINC001147687233 781516794 /nfs/dbraw/zinc/51/67/94/781516794.db2.gz CDZVWJVZJVVYIB-SECBINFHSA-N 1 2 294.359 -1.249 20 0 CAADLO Cc1cc(=O)c(C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@H]32)c[nH]1 ZINC001147648791 781516998 /nfs/dbraw/zinc/51/69/98/781516998.db2.gz ILOFOQRSOPBLKK-VWYCJHECSA-N 1 2 278.316 -2.184 20 0 CAADLO Cc1cc(=O)c(C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)c[nH]1 ZINC001147648788 781517463 /nfs/dbraw/zinc/51/74/63/781517463.db2.gz ILOFOQRSOPBLKK-DCAQKATOSA-N 1 2 278.316 -2.184 20 0 CAADLO Cc1cc(=O)c(C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@@H]32)c[nH]1 ZINC001147648789 781517659 /nfs/dbraw/zinc/51/76/59/781517659.db2.gz ILOFOQRSOPBLKK-GARJFASQSA-N 1 2 278.316 -2.184 20 0 CAADLO C[N@@H+]1CCO[C@@H](CNC(=O)c2cc(=O)[nH]c(=O)[nH]2)C1 ZINC001147701075 781518157 /nfs/dbraw/zinc/51/81/57/781518157.db2.gz MPGHKJNSFSBTFZ-ZETCQYMHSA-N 1 2 268.273 -1.052 20 0 CAADLO C[N@H+]1CCO[C@@H](CNC(=O)c2cc(=O)[nH]c(=O)[nH]2)C1 ZINC001147701075 781518162 /nfs/dbraw/zinc/51/81/62/781518162.db2.gz MPGHKJNSFSBTFZ-ZETCQYMHSA-N 1 2 268.273 -1.052 20 0 CAADLO COC(=O)[C@@H]1C[N@H+](C)CCN1C(=O)c1cc(=O)[nH]c(=O)[nH]1 ZINC001147696154 781518516 /nfs/dbraw/zinc/51/85/16/781518516.db2.gz OASKYNUQOAXSJD-QMMMGPOBSA-N 1 2 296.283 -1.183 20 0 CAADLO COC(=O)[C@@H]1C[N@@H+](C)CCN1C(=O)c1cc(=O)[nH]c(=O)[nH]1 ZINC001147696154 781518523 /nfs/dbraw/zinc/51/85/23/781518523.db2.gz OASKYNUQOAXSJD-QMMMGPOBSA-N 1 2 296.283 -1.183 20 0 CAADLO O=C(N[C@@H](CO)Cc1c[nH]c[nH+]1)c1cc(=O)[nH]c(=O)[nH]1 ZINC001147700788 781519092 /nfs/dbraw/zinc/51/90/92/781519092.db2.gz GBJRDUFQVXTLLW-SSDOTTSWSA-N 1 2 279.256 -1.056 20 0 CAADLO CC(C)(C(N)=O)C(=O)N[C@@H]1CC[N@H+](CC(N)=O)C[C@H]1O ZINC001099888694 781519584 /nfs/dbraw/zinc/51/95/84/781519584.db2.gz YTHVPIOARGHVAA-HTQZYQBOSA-N 1 2 286.332 -2.465 20 0 CAADLO CC(C)(C(N)=O)C(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C[C@H]1O ZINC001099888694 781519588 /nfs/dbraw/zinc/51/95/88/781519588.db2.gz YTHVPIOARGHVAA-HTQZYQBOSA-N 1 2 286.332 -2.465 20 0 CAADLO NC(=O)c1nccnc1C(=O)NCC[NH+]1CC2(COC2)C1 ZINC001147759674 781520156 /nfs/dbraw/zinc/52/01/56/781520156.db2.gz GOXHDKOPSOQOAE-UHFFFAOYSA-N 1 2 291.311 -1.363 20 0 CAADLO CC(C)(C(N)=O)C(=O)N[C@H]1CC[N@H+](CC(N)=O)C[C@@H]1O ZINC001099888697 781520639 /nfs/dbraw/zinc/52/06/39/781520639.db2.gz YTHVPIOARGHVAA-YUMQZZPRSA-N 1 2 286.332 -2.465 20 0 CAADLO CC(C)(C(N)=O)C(=O)N[C@H]1CC[N@@H+](CC(N)=O)C[C@@H]1O ZINC001099888697 781520647 /nfs/dbraw/zinc/52/06/47/781520647.db2.gz YTHVPIOARGHVAA-YUMQZZPRSA-N 1 2 286.332 -2.465 20 0 CAADLO Cn1c[nH+]cc1CC(=O)NCCNCc1nnn(C)n1 ZINC001147900764 781525254 /nfs/dbraw/zinc/52/52/54/781525254.db2.gz VOFZRNGDMYSDDH-UHFFFAOYSA-N 1 2 278.320 -1.608 20 0 CAADLO Cn1cncc1CC(=O)NCC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001147900515 781525513 /nfs/dbraw/zinc/52/55/13/781525513.db2.gz PDPBFCLCTIMVKE-UHFFFAOYSA-N 1 2 293.331 -1.710 20 0 CAADLO Cn1cccc(C(=O)NCC[NH2+]Cc2nc(O)n[nH]2)c1=O ZINC001148297407 781529880 /nfs/dbraw/zinc/52/98/80/781529880.db2.gz WBWGVTIZXBDMGA-UHFFFAOYSA-N 1 2 292.299 -1.271 20 0 CAADLO O=C(NCC[NH2+]Cc1ncccn1)[C@@H]1CCC(=O)N1 ZINC001148417638 781533570 /nfs/dbraw/zinc/53/35/70/781533570.db2.gz FRKWULNKYIGXFS-VIFPVBQESA-N 1 2 263.301 -1.039 20 0 CAADLO O=C(NCC[NH2+]Cc1cnon1)[C@@H]1CCC(=O)N1 ZINC001148428306 781534474 /nfs/dbraw/zinc/53/44/74/781534474.db2.gz ZYNTZKYLBIGJEL-QMMMGPOBSA-N 1 2 253.262 -1.446 20 0 CAADLO Cn1[nH]c(C[NH2+]CCNC(=O)[C@@H]2CCC(=O)N2)nc1=O ZINC001148418254 781535849 /nfs/dbraw/zinc/53/58/49/781535849.db2.gz XKOMZLSKHCHLFD-ZETCQYMHSA-N 1 2 282.304 -2.407 20 0 CAADLO Cc1[nH+]c[nH]c1CNC(=O)Cn1cnc(C(N)=O)n1 ZINC001148761476 781539159 /nfs/dbraw/zinc/53/91/59/781539159.db2.gz QCJNCIDQCORRTJ-UHFFFAOYSA-N 1 2 263.261 -1.275 20 0 CAADLO CCC[N@H+](C)CC(=O)NCCNCc1nc(=O)n(C)[nH]1 ZINC001148638740 781539224 /nfs/dbraw/zinc/53/92/24/781539224.db2.gz PQIHIMREXRDFGO-UHFFFAOYSA-N 1 2 284.364 -1.344 20 0 CAADLO CCC[N@@H+](C)CC(=O)NCCNCc1nc(=O)n(C)[nH]1 ZINC001148638740 781539228 /nfs/dbraw/zinc/53/92/28/781539228.db2.gz PQIHIMREXRDFGO-UHFFFAOYSA-N 1 2 284.364 -1.344 20 0 CAADLO CCC(=O)NC[C@H]1C[N@H+](CC(=O)NC(N)=O)CCCO1 ZINC001148959477 781540311 /nfs/dbraw/zinc/54/03/11/781540311.db2.gz APAGJWXZFVCEEV-VIFPVBQESA-N 1 2 286.332 -1.202 20 0 CAADLO CCC(=O)NC[C@H]1C[N@@H+](CC(=O)NC(N)=O)CCCO1 ZINC001148959477 781540315 /nfs/dbraw/zinc/54/03/15/781540315.db2.gz APAGJWXZFVCEEV-VIFPVBQESA-N 1 2 286.332 -1.202 20 0 CAADLO COCC(=O)NC[C@@H]1C[N@H+](CC(N)=O)CCCO1 ZINC001149002348 781540707 /nfs/dbraw/zinc/54/07/07/781540707.db2.gz IJQOWCSBROJEHC-SECBINFHSA-N 1 2 259.306 -1.675 20 0 CAADLO COCC(=O)NC[C@@H]1C[N@@H+](CC(N)=O)CCCO1 ZINC001149002348 781540710 /nfs/dbraw/zinc/54/07/10/781540710.db2.gz IJQOWCSBROJEHC-SECBINFHSA-N 1 2 259.306 -1.675 20 0 CAADLO CNC(=O)C[N@@H+]1CCCO[C@@H](CNC(=O)COC)C1 ZINC001148935979 781541429 /nfs/dbraw/zinc/54/14/29/781541429.db2.gz XHYOXFZIQATRET-JTQLQIEISA-N 1 2 273.333 -1.414 20 0 CAADLO CNC(=O)C[N@H+]1CCCO[C@@H](CNC(=O)COC)C1 ZINC001148935979 781541433 /nfs/dbraw/zinc/54/14/33/781541433.db2.gz XHYOXFZIQATRET-JTQLQIEISA-N 1 2 273.333 -1.414 20 0 CAADLO CC(=O)N1CCO[C@H](C(=O)NCC[NH2+]Cc2cnon2)C1 ZINC001149529644 781541834 /nfs/dbraw/zinc/54/18/34/781541834.db2.gz BXMXYPBGUMNVLO-NSHDSACASA-N 1 2 297.315 -1.477 20 0 CAADLO NC(=O)NC(=O)C[N@@H+]1CCCO[C@@H](CNC(=O)C2CC2)C1 ZINC001148970543 781542566 /nfs/dbraw/zinc/54/25/66/781542566.db2.gz ZZHOEJSBNVMYLH-JTQLQIEISA-N 1 2 298.343 -1.202 20 0 CAADLO NC(=O)NC(=O)C[N@H+]1CCCO[C@@H](CNC(=O)C2CC2)C1 ZINC001148970543 781542571 /nfs/dbraw/zinc/54/25/71/781542571.db2.gz ZZHOEJSBNVMYLH-JTQLQIEISA-N 1 2 298.343 -1.202 20 0 CAADLO COCCC(=O)NC[C@H]1C[N@H+](CC(N)=O)CCCO1 ZINC001148970482 781542786 /nfs/dbraw/zinc/54/27/86/781542786.db2.gz ZKGKFCWJTKLNOI-JTQLQIEISA-N 1 2 273.333 -1.285 20 0 CAADLO COCCC(=O)NC[C@H]1C[N@@H+](CC(N)=O)CCCO1 ZINC001148970482 781542795 /nfs/dbraw/zinc/54/27/95/781542795.db2.gz ZKGKFCWJTKLNOI-JTQLQIEISA-N 1 2 273.333 -1.285 20 0 CAADLO CNC(=O)C[N@@H+]1CCCO[C@H](CNC(=O)CCOC)C1 ZINC001148968946 781542894 /nfs/dbraw/zinc/54/28/94/781542894.db2.gz HLTQMONDNGEASP-LLVKDONJSA-N 1 2 287.360 -1.024 20 0 CAADLO CNC(=O)C[N@H+]1CCCO[C@H](CNC(=O)CCOC)C1 ZINC001148968946 781542900 /nfs/dbraw/zinc/54/29/00/781542900.db2.gz HLTQMONDNGEASP-LLVKDONJSA-N 1 2 287.360 -1.024 20 0 CAADLO C[C@]12CN(C(=O)C(N)=O)C[C@H]1C[N@H+](Cc1cnon1)C2 ZINC001091971932 781544637 /nfs/dbraw/zinc/54/46/37/781544637.db2.gz UDGIYHJMSFUDGL-PELKAZGASA-N 1 2 279.300 -1.165 20 0 CAADLO C[C@]12CN(C(=O)C(N)=O)C[C@H]1C[N@@H+](Cc1cnon1)C2 ZINC001091971932 781544641 /nfs/dbraw/zinc/54/46/41/781544641.db2.gz UDGIYHJMSFUDGL-PELKAZGASA-N 1 2 279.300 -1.165 20 0 CAADLO Cn1ncc(C[N@@H+]2C[C@@H]3CN(C(=O)C(N)=O)C[C@]3(C)C2)n1 ZINC001091968420 781544667 /nfs/dbraw/zinc/54/46/67/781544667.db2.gz RAOXITYJTQJLFH-RNCFNFMXSA-N 1 2 292.343 -1.419 20 0 CAADLO Cn1ncc(C[N@H+]2C[C@@H]3CN(C(=O)C(N)=O)C[C@]3(C)C2)n1 ZINC001091968420 781544672 /nfs/dbraw/zinc/54/46/72/781544672.db2.gz RAOXITYJTQJLFH-RNCFNFMXSA-N 1 2 292.343 -1.419 20 0 CAADLO Cc1nc(N2CC[C@H](NC(=O)CC(N)=O)[C@H](O)C2)cc[nH+]1 ZINC001092134662 781546122 /nfs/dbraw/zinc/54/61/22/781546122.db2.gz OVGIPBNZHLCLKG-VHSXEESVSA-N 1 2 293.327 -1.284 20 0 CAADLO CC(=O)N1CC(n2cc(C[NH2+][C@@H]3CCNC3=O)nn2)C1 ZINC001093295037 781552785 /nfs/dbraw/zinc/55/27/85/781552785.db2.gz OVWGYZSTOGFIIN-LLVKDONJSA-N 1 2 278.316 -1.341 20 0 CAADLO CC(=O)NCC(=O)NCCNc1nc(N(C)C)nc(C)[nH+]1 ZINC001093455211 781555398 /nfs/dbraw/zinc/55/53/98/781555398.db2.gz BMGZGAZJSBMNHO-UHFFFAOYSA-N 1 2 295.347 -1.090 20 0 CAADLO Cn1ncc2c1nc[nH+]c2NCCNC(=O)CNC(N)=O ZINC001093501129 781556746 /nfs/dbraw/zinc/55/67/46/781556746.db2.gz SAVPUWQDSGNCJH-UHFFFAOYSA-N 1 2 292.303 -1.440 20 0 CAADLO Cc1nc(N(C)C)nc(NCCNC(=O)CC(N)=O)[nH+]1 ZINC001093538729 781558064 /nfs/dbraw/zinc/55/80/64/781558064.db2.gz OGRBIISAVLDDIA-UHFFFAOYSA-N 1 2 281.320 -1.350 20 0 CAADLO CNS(=O)(=O)CC(=O)NCCNc1cc[nH+]c(C)n1 ZINC001093660691 781558291 /nfs/dbraw/zinc/55/82/91/781558291.db2.gz BGEZHFVWFSYIET-UHFFFAOYSA-N 1 2 287.345 -1.138 20 0 CAADLO Cc1nc(N(C)C)nc(NCCNC(=O)C(N)=O)[nH+]1 ZINC001094079522 781562745 /nfs/dbraw/zinc/56/27/45/781562745.db2.gz MNOOUCVOCWXYTP-UHFFFAOYSA-N 1 2 267.293 -1.741 20 0 CAADLO Cc1nc(NCCNC(=O)[C@H]2CNC(=O)N2)cc[nH+]1 ZINC001094104712 781562822 /nfs/dbraw/zinc/56/28/22/781562822.db2.gz RPTTZIJXDNCKJU-MRVPVSSYSA-N 1 2 264.289 -1.005 20 0 CAADLO C[N@@H+]1CCc2ncnc(NCCNC(=O)C(N)=O)c2C1 ZINC001094079442 781563236 /nfs/dbraw/zinc/56/32/36/781563236.db2.gz HVFYGVVKJGEZNH-UHFFFAOYSA-N 1 2 278.316 -1.522 20 0 CAADLO C[N@H+]1CCc2ncnc(NCCNC(=O)C(N)=O)c2C1 ZINC001094079442 781563241 /nfs/dbraw/zinc/56/32/41/781563241.db2.gz HVFYGVVKJGEZNH-UHFFFAOYSA-N 1 2 278.316 -1.522 20 0 CAADLO Cc1nc(NCCNC(=O)[C@@H]2CC(=O)NC(=O)N2)cc[nH+]1 ZINC001094169212 781563684 /nfs/dbraw/zinc/56/36/84/781563684.db2.gz WPZOZXFCMIQQHD-QMMMGPOBSA-N 1 2 292.299 -1.089 20 0 CAADLO O=C(NCc1cn(C2C[NH+](CCO)C2)nn1)[C@H]1CCCO1 ZINC001094273202 781563709 /nfs/dbraw/zinc/56/37/09/781563709.db2.gz LUPHOQRILRFWJW-GFCCVEGCSA-N 1 2 295.343 -1.078 20 0 CAADLO O=C(NCc1cn(C2C[NH+](CCO)C2)nn1)[C@@H]1CCOC1 ZINC001094279742 781563919 /nfs/dbraw/zinc/56/39/19/781563919.db2.gz RHYNNARXIBJSTG-SNVBAGLBSA-N 1 2 295.343 -1.220 20 0 CAADLO O=C(NCc1cn(C2C[NH+](CCO)C2)nn1)c1cn[nH]c1 ZINC001094276695 781563951 /nfs/dbraw/zinc/56/39/51/781563951.db2.gz VCJUFKPOUYNORI-UHFFFAOYSA-N 1 2 291.315 -1.220 20 0 CAADLO O=C(N[C@H]1CC(=O)N(C2C[NH+](CCO)C2)C1)[C@@H]1CCOC1 ZINC001094714141 781566948 /nfs/dbraw/zinc/56/69/48/781566948.db2.gz QLPOQNPLZOFRBO-MNOVXSKESA-N 1 2 297.355 -1.584 20 0 CAADLO O=C(N[C@H]1CC(=O)N(C2C[NH+](CCO)C2)C1)[C@H]1CCOC1 ZINC001094714142 781567379 /nfs/dbraw/zinc/56/73/79/781567379.db2.gz QLPOQNPLZOFRBO-QWRGUYRKSA-N 1 2 297.355 -1.584 20 0 CAADLO O=C(N[C@@H]1CC(=O)N(C2C[NH+](CCO)C2)C1)c1ccon1 ZINC001094709414 781567403 /nfs/dbraw/zinc/56/74/03/781567403.db2.gz KVDZVGWMTSYPLL-SECBINFHSA-N 1 2 294.311 -1.318 20 0 CAADLO CCC(=O)N[C@H]1CC(=O)N(C2C[NH+](CCO)C2)C1 ZINC001094686066 781567454 /nfs/dbraw/zinc/56/74/54/781567454.db2.gz FLVWKRHGNZOXIU-VIFPVBQESA-N 1 2 255.318 -1.210 20 0 CAADLO O=C(N[C@H]1CC(=O)N(C2C[NH+](CCO)C2)C1)c1cn[nH]c1 ZINC001094707505 781567527 /nfs/dbraw/zinc/56/75/27/781567527.db2.gz MRAFCCYPCNHZSB-JTQLQIEISA-N 1 2 293.327 -1.583 20 0 CAADLO O=C(N[C@H]1CC(=O)N(C2C[NH+](CCO)C2)C1)C1CC1 ZINC001094691882 781567795 /nfs/dbraw/zinc/56/77/95/781567795.db2.gz MDVDLJUDVPXTND-JTQLQIEISA-N 1 2 267.329 -1.210 20 0 CAADLO O=C(N[C@@H]1CC(=O)N(C2C[NH+](CCO)C2)C1)C1CC1 ZINC001094691883 781568277 /nfs/dbraw/zinc/56/82/77/781568277.db2.gz MDVDLJUDVPXTND-SNVBAGLBSA-N 1 2 267.329 -1.210 20 0 CAADLO C[N@@H+]1CCc2ncnc(NCCCNC(=O)C(N)=O)c2C1 ZINC001094742106 781568356 /nfs/dbraw/zinc/56/83/56/781568356.db2.gz NESXMXUJWRMJBT-UHFFFAOYSA-N 1 2 292.343 -1.132 20 0 CAADLO C[N@H+]1CCc2ncnc(NCCCNC(=O)C(N)=O)c2C1 ZINC001094742106 781568362 /nfs/dbraw/zinc/56/83/62/781568362.db2.gz NESXMXUJWRMJBT-UHFFFAOYSA-N 1 2 292.343 -1.132 20 0 CAADLO O=C(N[C@@H]1CC(=O)N(C2C[NH+](CCO)C2)C1)c1ncc[nH]1 ZINC001094734182 781568586 /nfs/dbraw/zinc/56/85/86/781568586.db2.gz RURCLWVJUIBWLC-SECBINFHSA-N 1 2 293.327 -1.583 20 0 CAADLO O=C(N[C@@H]1CC(=O)N(C2C[NH+](CCO)C2)C1)[C@H]1CCCO1 ZINC001094700528 781568708 /nfs/dbraw/zinc/56/87/08/781568708.db2.gz DPONUIUKAVCASB-ZYHUDNBSSA-N 1 2 297.355 -1.441 20 0 CAADLO O=C(N[C@@H]1CC(=O)N(C2C[NH+](CCO)C2)C1)c1cnco1 ZINC001094767845 781568964 /nfs/dbraw/zinc/56/89/64/781568964.db2.gz JNURKMODGKNXTC-SECBINFHSA-N 1 2 294.311 -1.318 20 0 CAADLO O=C(N[C@H]1CC(=O)N(C2C[NH+](CCO)C2)C1)c1cnon1 ZINC001094799605 781569475 /nfs/dbraw/zinc/56/94/75/781569475.db2.gz MKQHRJAFSYHOFU-QMMMGPOBSA-N 1 2 295.299 -1.923 20 0 CAADLO COCC[NH+]1CC(N2C[C@@H](NC(=O)C(N)=O)CC2=O)C1 ZINC001094778390 781570253 /nfs/dbraw/zinc/57/02/53/781570253.db2.gz CIDXGMULJHAXOC-QMMMGPOBSA-N 1 2 284.316 -2.481 20 0 CAADLO NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1COCCO1)C2 ZINC001095192703 781579541 /nfs/dbraw/zinc/57/95/41/781579541.db2.gz RPEMTXRTCGIFKS-RCWTZXSCSA-N 1 2 283.328 -1.391 20 0 CAADLO NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1COCCO1)C2 ZINC001095192703 781579549 /nfs/dbraw/zinc/57/95/49/781579549.db2.gz RPEMTXRTCGIFKS-RCWTZXSCSA-N 1 2 283.328 -1.391 20 0 CAADLO CNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1COCCO1)C2 ZINC001095191301 781579860 /nfs/dbraw/zinc/57/98/60/781579860.db2.gz BLGUHZPCYCCQTM-RHYQMDGZSA-N 1 2 297.355 -1.131 20 0 CAADLO CNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1COCCO1)C2 ZINC001095191301 781579865 /nfs/dbraw/zinc/57/98/65/781579865.db2.gz BLGUHZPCYCCQTM-RHYQMDGZSA-N 1 2 297.355 -1.131 20 0 CAADLO COc1cccc2c1C[C@@H]([NH2+]C(C(N)=O)C(N)=O)CO2 ZINC001173147211 781580086 /nfs/dbraw/zinc/58/00/86/781580086.db2.gz FFGYXRNZCDRPJU-SSDOTTSWSA-N 1 2 279.296 -1.073 20 0 CAADLO CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N1CCNC(=O)C1 ZINC001095070743 781580244 /nfs/dbraw/zinc/58/02/44/781580244.db2.gz JSNKKGQXFKLKTR-WOPDTQHZSA-N 1 2 294.355 -1.314 20 0 CAADLO CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N1CCNC(=O)C1 ZINC001095070743 781580255 /nfs/dbraw/zinc/58/02/55/781580255.db2.gz JSNKKGQXFKLKTR-WOPDTQHZSA-N 1 2 294.355 -1.314 20 0 CAADLO NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC(=O)N1)C2 ZINC001095240979 781581876 /nfs/dbraw/zinc/58/18/76/781581876.db2.gz LSYHMMGOVFKDBZ-IMSYWVGJSA-N 1 2 280.328 -1.528 20 0 CAADLO NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC(=O)N1)C2 ZINC001095240979 781581902 /nfs/dbraw/zinc/58/19/02/781581902.db2.gz LSYHMMGOVFKDBZ-IMSYWVGJSA-N 1 2 280.328 -1.528 20 0 CAADLO NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCNC(=O)C1)C2 ZINC001095291939 781582710 /nfs/dbraw/zinc/58/27/10/781582710.db2.gz SYKIEOJLKHOAIS-ZNSHCXBVSA-N 1 2 294.355 -1.281 20 0 CAADLO NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCNC(=O)C1)C2 ZINC001095291939 781582721 /nfs/dbraw/zinc/58/27/21/781582721.db2.gz SYKIEOJLKHOAIS-ZNSHCXBVSA-N 1 2 294.355 -1.281 20 0 CAADLO O=C(CN1C(=O)CNC1=O)NCC[NH2+]Cc1cnon1 ZINC001150340135 781583193 /nfs/dbraw/zinc/58/31/93/781583193.db2.gz YDGGWPHNXWYZGI-UHFFFAOYSA-N 1 2 282.260 -2.173 20 0 CAADLO O=C(CN1C(=O)CNC1=O)NCC[NH2+]Cc1csnn1 ZINC001150349787 781583550 /nfs/dbraw/zinc/58/35/50/781583550.db2.gz GHNGDZKPJMQVHJ-UHFFFAOYSA-N 1 2 298.328 -1.704 20 0 CAADLO CN(C)c1noc(C[NH2+]CCNC(=O)CCNC(N)=O)n1 ZINC001150423023 781585860 /nfs/dbraw/zinc/58/58/60/781585860.db2.gz BKVGBYWVXNLLHQ-UHFFFAOYSA-N 1 2 299.335 -1.600 20 0 CAADLO Cn1nnc(C(=O)N[C@H](CO)Cc2c[nH]c[nH+]2)n1 ZINC001174951027 781585960 /nfs/dbraw/zinc/58/59/60/781585960.db2.gz XACGXGOUCADKRF-ZETCQYMHSA-N 1 2 251.250 -1.733 20 0 CAADLO Cn1nnc(C(=O)N[C@H](CO)Cc2c[nH+]c[nH]2)n1 ZINC001174951027 781585968 /nfs/dbraw/zinc/58/59/68/781585968.db2.gz XACGXGOUCADKRF-ZETCQYMHSA-N 1 2 251.250 -1.733 20 0 CAADLO O=C(CN1C(=O)CCC1=O)N[C@H](CO)Cc1c[nH]c[nH+]1 ZINC001174941043 781586220 /nfs/dbraw/zinc/58/62/20/781586220.db2.gz MXPMMQXWDVKUBN-VIFPVBQESA-N 1 2 280.284 -1.422 20 0 CAADLO O=C(CN1C(=O)CCC1=O)N[C@H](CO)Cc1c[nH+]c[nH]1 ZINC001174941043 781586227 /nfs/dbraw/zinc/58/62/27/781586227.db2.gz MXPMMQXWDVKUBN-VIFPVBQESA-N 1 2 280.284 -1.422 20 0 CAADLO C[C@@H](CC(N)=O)C(=O)N[C@H](CO)Cc1c[nH]c[nH+]1 ZINC001174950867 781586484 /nfs/dbraw/zinc/58/64/84/781586484.db2.gz UFCDOESIKLSBLO-CBAPKCEASA-N 1 2 254.290 -1.059 20 0 CAADLO C[C@@H](CC(N)=O)C(=O)N[C@H](CO)Cc1c[nH+]c[nH]1 ZINC001174950867 781586492 /nfs/dbraw/zinc/58/64/92/781586492.db2.gz UFCDOESIKLSBLO-CBAPKCEASA-N 1 2 254.290 -1.059 20 0 CAADLO NC(=O)NCCC(=O)NCC[NH2+]Cc1cnsn1 ZINC001150424562 781588013 /nfs/dbraw/zinc/58/80/13/781588013.db2.gz TUBBTKQESMXLRT-UHFFFAOYSA-N 1 2 272.334 -1.198 20 0 CAADLO C[N@@H+]1CCCn2nc(C(=O)N[C@@H](CO)C(N)=O)cc2C1 ZINC001175104791 781588997 /nfs/dbraw/zinc/58/89/97/781588997.db2.gz OHSRVEPTJHKKLZ-JTQLQIEISA-N 1 2 281.316 -1.705 20 0 CAADLO C[N@H+]1CCCn2nc(C(=O)N[C@@H](CO)C(N)=O)cc2C1 ZINC001175104791 781589005 /nfs/dbraw/zinc/58/90/05/781589005.db2.gz OHSRVEPTJHKKLZ-JTQLQIEISA-N 1 2 281.316 -1.705 20 0 CAADLO C[N@@H+]1CCCn2nc(C(=O)NC(CO)(CO)CO)cc2C1 ZINC001175094657 781589311 /nfs/dbraw/zinc/58/93/11/781589311.db2.gz MEDYRGLMPOEFEF-UHFFFAOYSA-N 1 2 298.343 -1.836 20 0 CAADLO C[N@H+]1CCCn2nc(C(=O)NC(CO)(CO)CO)cc2C1 ZINC001175094657 781589315 /nfs/dbraw/zinc/58/93/15/781589315.db2.gz MEDYRGLMPOEFEF-UHFFFAOYSA-N 1 2 298.343 -1.836 20 0 CAADLO C[N@@H+]1CCCn2nc(C(=O)N[C@H](CO)C(N)=O)cc2C1 ZINC001175104792 781590095 /nfs/dbraw/zinc/59/00/95/781590095.db2.gz OHSRVEPTJHKKLZ-SNVBAGLBSA-N 1 2 281.316 -1.705 20 0 CAADLO C[N@H+]1CCCn2nc(C(=O)N[C@H](CO)C(N)=O)cc2C1 ZINC001175104792 781590097 /nfs/dbraw/zinc/59/00/97/781590097.db2.gz OHSRVEPTJHKKLZ-SNVBAGLBSA-N 1 2 281.316 -1.705 20 0 CAADLO CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@H](O)C[C@@H]1CO ZINC001176385831 781599712 /nfs/dbraw/zinc/59/97/12/781599712.db2.gz XMFVZPFOBGBKFY-IJLUTSLNSA-N 1 2 296.327 -1.589 20 0 CAADLO CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@H](O)C[C@@H]1CO ZINC001176385831 781599717 /nfs/dbraw/zinc/59/97/17/781599717.db2.gz XMFVZPFOBGBKFY-IJLUTSLNSA-N 1 2 296.327 -1.589 20 0 CAADLO CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@H]1CNC(=O)C1 ZINC001176379756 781600371 /nfs/dbraw/zinc/60/03/71/781600371.db2.gz HWTAPZRNDLKORH-GXSJLCMTSA-N 1 2 293.327 -1.291 20 0 CAADLO CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H]1CNC(=O)C1 ZINC001176379756 781600380 /nfs/dbraw/zinc/60/03/80/781600380.db2.gz HWTAPZRNDLKORH-GXSJLCMTSA-N 1 2 293.327 -1.291 20 0 CAADLO CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@H]1CCC(=O)N1 ZINC001176379551 781600671 /nfs/dbraw/zinc/60/06/71/781600671.db2.gz CQILSPGBFQGMIC-GXSJLCMTSA-N 1 2 293.327 -1.148 20 0 CAADLO CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H]1CCC(=O)N1 ZINC001176379551 781600677 /nfs/dbraw/zinc/60/06/77/781600677.db2.gz CQILSPGBFQGMIC-GXSJLCMTSA-N 1 2 293.327 -1.148 20 0 CAADLO COC(=O)CNC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(C)=O ZINC001176381405 781600797 /nfs/dbraw/zinc/60/07/97/781600797.db2.gz XODFMZDUIDRKAJ-SECBINFHSA-N 1 2 268.273 -1.254 20 0 CAADLO COC(=O)CNC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(C)=O ZINC001176381405 781600802 /nfs/dbraw/zinc/60/08/02/781600802.db2.gz XODFMZDUIDRKAJ-SECBINFHSA-N 1 2 268.273 -1.254 20 0 CAADLO CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCCNC(=O)C1 ZINC001176345164 781600829 /nfs/dbraw/zinc/60/08/29/781600829.db2.gz MJCKODNAEAYQAT-LLVKDONJSA-N 1 2 293.327 -1.195 20 0 CAADLO CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCCNC(=O)C1 ZINC001176345164 781600832 /nfs/dbraw/zinc/60/08/32/781600832.db2.gz MJCKODNAEAYQAT-LLVKDONJSA-N 1 2 293.327 -1.195 20 0 CAADLO CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)NCC(=O)CCO ZINC001176385369 781601422 /nfs/dbraw/zinc/60/14/22/781601422.db2.gz PKKCKKIMDVJWLR-LLVKDONJSA-N 1 2 282.300 -1.475 20 0 CAADLO CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)NCC(=O)CCO ZINC001176385369 781601426 /nfs/dbraw/zinc/60/14/26/781601426.db2.gz PKKCKKIMDVJWLR-LLVKDONJSA-N 1 2 282.300 -1.475 20 0 CAADLO CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@H]1CCC(=O)N1 ZINC001176379552 781601465 /nfs/dbraw/zinc/60/14/65/781601465.db2.gz CQILSPGBFQGMIC-MWLCHTKSSA-N 1 2 293.327 -1.148 20 0 CAADLO CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@H]1CCC(=O)N1 ZINC001176379552 781601473 /nfs/dbraw/zinc/60/14/73/781601473.db2.gz CQILSPGBFQGMIC-MWLCHTKSSA-N 1 2 293.327 -1.148 20 0 CAADLO CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCNC(=O)[C@@H]1C ZINC001176354490 781601986 /nfs/dbraw/zinc/60/19/86/781601986.db2.gz DGYCUAQAFUIMFK-GZMMTYOYSA-N 1 2 293.327 -1.196 20 0 CAADLO CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCNC(=O)[C@@H]1C ZINC001176354490 781601992 /nfs/dbraw/zinc/60/19/92/781601992.db2.gz DGYCUAQAFUIMFK-GZMMTYOYSA-N 1 2 293.327 -1.196 20 0 CAADLO CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N(C)C[C@@H](O)CO ZINC001176357745 781602019 /nfs/dbraw/zinc/60/20/19/781602019.db2.gz WRFIJUXZJIHYLM-GHMZBOCLSA-N 1 2 284.316 -1.732 20 0 CAADLO CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N(C)C[C@@H](O)CO ZINC001176357745 781602023 /nfs/dbraw/zinc/60/20/23/781602023.db2.gz WRFIJUXZJIHYLM-GHMZBOCLSA-N 1 2 284.316 -1.732 20 0 CAADLO CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@H]1CNC(=O)O1 ZINC001176399726 781602080 /nfs/dbraw/zinc/60/20/80/781602080.db2.gz RTXNYTWOOCGJEP-VHSXEESVSA-N 1 2 295.299 -1.319 20 0 CAADLO CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@H]1CNC(=O)O1 ZINC001176399726 781602084 /nfs/dbraw/zinc/60/20/84/781602084.db2.gz RTXNYTWOOCGJEP-VHSXEESVSA-N 1 2 295.299 -1.319 20 0 CAADLO CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC(CO)C1 ZINC001176354457 781602354 /nfs/dbraw/zinc/60/23/54/781602354.db2.gz CDIOQOJIOYRYFB-LLVKDONJSA-N 1 2 266.301 -1.092 20 0 CAADLO CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC(CO)C1 ZINC001176354457 781602358 /nfs/dbraw/zinc/60/23/58/781602358.db2.gz CDIOQOJIOYRYFB-LLVKDONJSA-N 1 2 266.301 -1.092 20 0 CAADLO CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@H]1CNC(=O)O1 ZINC001176399725 781602467 /nfs/dbraw/zinc/60/24/67/781602467.db2.gz RTXNYTWOOCGJEP-NXEZZACHSA-N 1 2 295.299 -1.319 20 0 CAADLO CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H]1CNC(=O)O1 ZINC001176399725 781602471 /nfs/dbraw/zinc/60/24/71/781602471.db2.gz RTXNYTWOOCGJEP-NXEZZACHSA-N 1 2 295.299 -1.319 20 0 CAADLO C[C@H]([NH2+]CCS(=O)(=O)N(C)C)c1nnnn1C ZINC001176793841 781603497 /nfs/dbraw/zinc/60/34/97/781603497.db2.gz WLEDFGPLWURMBA-ZETCQYMHSA-N 1 2 262.339 -1.248 20 0 CAADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CNC(C)=O ZINC001176602518 781603762 /nfs/dbraw/zinc/60/37/62/781603762.db2.gz JEUNMFNBAHGCRO-VIFPVBQESA-N 1 2 267.289 -1.681 20 0 CAADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CNC(C)=O ZINC001176602518 781603767 /nfs/dbraw/zinc/60/37/67/781603767.db2.gz JEUNMFNBAHGCRO-VIFPVBQESA-N 1 2 267.289 -1.681 20 0 CAADLO CN(C)S(=O)(=O)CCNC(=O)Cc1c[nH]c[nH+]1 ZINC001176836933 781605164 /nfs/dbraw/zinc/60/51/64/781605164.db2.gz SQEVXDYXQKPVAW-UHFFFAOYSA-N 1 2 260.319 -1.040 20 0 CAADLO O=C(Cc1c[nH+]c[nH]1)N1CC(N2CCNC(=O)C2)C1 ZINC001176831036 781606418 /nfs/dbraw/zinc/60/64/18/781606418.db2.gz LPPFDVPHHICUFG-UHFFFAOYSA-N 1 2 263.301 -1.405 20 0 CAADLO CC(=O)NCC(=O)N1CC[C@H]2OCC[N@H+](CCO)[C@@H]2C1 ZINC001176893568 781607303 /nfs/dbraw/zinc/60/73/03/781607303.db2.gz LCIISJHMZIBUKP-VXGBXAGGSA-N 1 2 285.344 -1.584 20 0 CAADLO CC(=O)NCC(=O)N1CC[C@H]2OCC[N@@H+](CCO)[C@@H]2C1 ZINC001176893568 781607307 /nfs/dbraw/zinc/60/73/07/781607307.db2.gz LCIISJHMZIBUKP-VXGBXAGGSA-N 1 2 285.344 -1.584 20 0 CAADLO CNS(=O)(=O)CCNC(=O)CCn1cc[nH+]c1 ZINC001176878763 781607828 /nfs/dbraw/zinc/60/78/28/781607828.db2.gz JMVHOVIBERKVKV-UHFFFAOYSA-N 1 2 260.319 -1.061 20 0 CAADLO CC(=O)NCC(=O)N1CC[C@H]2OCC[N@H+](CCO)[C@H]2C1 ZINC001176893566 781607889 /nfs/dbraw/zinc/60/78/89/781607889.db2.gz LCIISJHMZIBUKP-NWDGAFQWSA-N 1 2 285.344 -1.584 20 0 CAADLO CC(=O)NCC(=O)N1CC[C@H]2OCC[N@@H+](CCO)[C@H]2C1 ZINC001176893566 781607892 /nfs/dbraw/zinc/60/78/92/781607892.db2.gz LCIISJHMZIBUKP-NWDGAFQWSA-N 1 2 285.344 -1.584 20 0 CAADLO CC(=O)N(C)CC(=O)N1CC[C@@H]2OCC[N@H+](CCO)[C@@H]2C1 ZINC001176931343 781609453 /nfs/dbraw/zinc/60/94/53/781609453.db2.gz ZDHCGODXCSMFJL-OLZOCXBDSA-N 1 2 299.371 -1.241 20 0 CAADLO CC(=O)N(C)CC(=O)N1CC[C@@H]2OCC[N@@H+](CCO)[C@@H]2C1 ZINC001176931343 781609454 /nfs/dbraw/zinc/60/94/54/781609454.db2.gz ZDHCGODXCSMFJL-OLZOCXBDSA-N 1 2 299.371 -1.241 20 0 CAADLO NC(=O)NCC(=O)N1CC[C@@H]2OCC[N@H+](CCO)[C@@H]2C1 ZINC001176906813 781611578 /nfs/dbraw/zinc/61/15/78/781611578.db2.gz MISCHGNUWVCQHV-ZJUUUORDSA-N 1 2 286.332 -2.051 20 0 CAADLO NC(=O)NCC(=O)N1CC[C@@H]2OCC[N@@H+](CCO)[C@@H]2C1 ZINC001176906813 781611581 /nfs/dbraw/zinc/61/15/81/781611581.db2.gz MISCHGNUWVCQHV-ZJUUUORDSA-N 1 2 286.332 -2.051 20 0 CAADLO NC(=O)NCC(=O)N1CC[C@H]2OCC[N@H+](CCO)[C@@H]2C1 ZINC001176906810 781611942 /nfs/dbraw/zinc/61/19/42/781611942.db2.gz MISCHGNUWVCQHV-NXEZZACHSA-N 1 2 286.332 -2.051 20 0 CAADLO NC(=O)NCC(=O)N1CC[C@H]2OCC[N@@H+](CCO)[C@@H]2C1 ZINC001176906810 781611949 /nfs/dbraw/zinc/61/19/49/781611949.db2.gz MISCHGNUWVCQHV-NXEZZACHSA-N 1 2 286.332 -2.051 20 0 CAADLO CCC(=O)NCC(=O)N1CC[C@H]2OCC[N@H+](CCO)[C@H]2C1 ZINC001176961583 781613134 /nfs/dbraw/zinc/61/31/34/781613134.db2.gz BMJUFDGQBQSAOM-NWDGAFQWSA-N 1 2 299.371 -1.193 20 0 CAADLO CCC(=O)NCC(=O)N1CC[C@H]2OCC[N@@H+](CCO)[C@H]2C1 ZINC001176961583 781613137 /nfs/dbraw/zinc/61/31/37/781613137.db2.gz BMJUFDGQBQSAOM-NWDGAFQWSA-N 1 2 299.371 -1.193 20 0 CAADLO CCNC(=O)CC(=O)N1CC[C@H]2OCC[N@H+](CCO)[C@H]2C1 ZINC001176992863 781613249 /nfs/dbraw/zinc/61/32/49/781613249.db2.gz BITHXKWNEXNKGK-NWDGAFQWSA-N 1 2 299.371 -1.193 20 0 CAADLO CCNC(=O)CC(=O)N1CC[C@H]2OCC[N@@H+](CCO)[C@H]2C1 ZINC001176992863 781613252 /nfs/dbraw/zinc/61/32/52/781613252.db2.gz BITHXKWNEXNKGK-NWDGAFQWSA-N 1 2 299.371 -1.193 20 0 CAADLO COCCC[N@@H+]1CCO[C@H]2CCN(C(=O)C(N)=O)C[C@H]21 ZINC001177072515 781614072 /nfs/dbraw/zinc/61/40/72/781614072.db2.gz HTMUBJVHIKYOFP-MNOVXSKESA-N 1 2 285.344 -1.190 20 0 CAADLO COCCC[N@H+]1CCO[C@H]2CCN(C(=O)C(N)=O)C[C@H]21 ZINC001177072515 781614075 /nfs/dbraw/zinc/61/40/75/781614075.db2.gz HTMUBJVHIKYOFP-MNOVXSKESA-N 1 2 285.344 -1.190 20 0 CAADLO NC(=O)CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(N)=O ZINC001110199834 781615876 /nfs/dbraw/zinc/61/58/76/781615876.db2.gz QZRIOLLIZFKNOB-UTLUCORTSA-N 1 2 282.344 -1.151 20 0 CAADLO NC(=O)CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(N)=O ZINC001110199834 781615880 /nfs/dbraw/zinc/61/58/80/781615880.db2.gz QZRIOLLIZFKNOB-UTLUCORTSA-N 1 2 282.344 -1.151 20 0 CAADLO CC[C@H]1COCC[N@@H+]1CCNC(=O)C1(O)COC1 ZINC001177133705 781616122 /nfs/dbraw/zinc/61/61/22/781616122.db2.gz SSTRIWVCYUBBNX-JTQLQIEISA-N 1 2 258.318 -1.025 20 0 CAADLO CC[C@H]1COCC[N@H+]1CCNC(=O)C1(O)COC1 ZINC001177133705 781616128 /nfs/dbraw/zinc/61/61/28/781616128.db2.gz SSTRIWVCYUBBNX-JTQLQIEISA-N 1 2 258.318 -1.025 20 0 CAADLO CN(CC(=O)N[C@@H](CO)C(N)=O)c1cccc[nH+]1 ZINC001177413735 781619317 /nfs/dbraw/zinc/61/93/17/781619317.db2.gz IMNPUTBDJBKFLN-QMMMGPOBSA-N 1 2 252.274 -1.520 20 0 CAADLO CN(CC(=O)N[C@@H]1C[C@H](CO)[C@@H](O)[C@H]1O)c1cccc[nH+]1 ZINC001177413972 781619589 /nfs/dbraw/zinc/61/95/89/781619589.db2.gz MWZXHQDYMYSXGQ-MHWZDGSBSA-N 1 2 295.339 -1.263 20 0 CAADLO Cc1nonc1C(=O)NCCC[NH2+]Cc1nnn(C)n1 ZINC001177443517 781621696 /nfs/dbraw/zinc/62/16/96/781621696.db2.gz FCOGVWATSLHXCG-UHFFFAOYSA-N 1 2 280.292 -1.189 20 0 CAADLO C[C@H](C(=O)N[C@@H]1C[C@H](CO)[C@@H](O)[C@H]1O)n1cc[nH+]c1 ZINC001177927067 781627150 /nfs/dbraw/zinc/62/71/50/781627150.db2.gz NWJJRWZNOMBXRC-ILAIQSSSSA-N 1 2 269.301 -1.337 20 0 CAADLO O=C(CCc1[nH]cc[nH+]1)NC[C@H]1CNC(=O)CO1 ZINC001177997934 781628261 /nfs/dbraw/zinc/62/82/61/781628261.db2.gz HIDPKIKFLDTLCW-QMMMGPOBSA-N 1 2 252.274 -1.027 20 0 CAADLO O=C(CCc1[nH]cc[nH+]1)N1CC(N2CCNC(=O)C2)C1 ZINC001177995290 781628335 /nfs/dbraw/zinc/62/83/35/781628335.db2.gz ZVRUKQSKRVNWOI-UHFFFAOYSA-N 1 2 277.328 -1.015 20 0 CAADLO NC(=O)[C@H](CO)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001178118664 781630013 /nfs/dbraw/zinc/63/00/13/781630013.db2.gz CTDFNCZJDXFBJA-YUMQZZPRSA-N 1 2 252.274 -1.592 20 0 CAADLO O=C(N[C@@H]1C[C@H](CO)[C@@H](O)[C@H]1O)[C@H]1CCc2[nH+]ccn2C1 ZINC001178119805 781630079 /nfs/dbraw/zinc/63/00/79/781630079.db2.gz WPTVOFOQPGCVFN-ZDHGETPDSA-N 1 2 295.339 -1.336 20 0 CAADLO CN1C[C@@H](C(=O)N[C@@H](CO)Cc2c[nH]c[nH+]2)CC1=O ZINC001178529243 781636177 /nfs/dbraw/zinc/63/61/77/781636177.db2.gz UHMWRBKFUDSOPE-WCBMZHEXSA-N 1 2 266.301 -1.092 20 0 CAADLO CN1C[C@@H](C(=O)N[C@@H](CO)Cc2c[nH+]c[nH]2)CC1=O ZINC001178529243 781636182 /nfs/dbraw/zinc/63/61/82/781636182.db2.gz UHMWRBKFUDSOPE-WCBMZHEXSA-N 1 2 266.301 -1.092 20 0 CAADLO C[NH+]1CCN(CC(=O)N[C@@H](CO)Cc2c[nH]cn2)CC1 ZINC001178953077 781640674 /nfs/dbraw/zinc/64/06/74/781640674.db2.gz BFJBBRQFYLRGMN-GFCCVEGCSA-N 1 2 281.360 -1.323 20 0 CAADLO C[NH+]1CCN(CC(=O)N2C[C@@H]3COC[C@H](C2)C3=O)CC1 ZINC001178951988 781642099 /nfs/dbraw/zinc/64/20/99/781642099.db2.gz VIKVFSPMODVHER-TXEJJXNPSA-N 1 2 281.356 -1.092 20 0 CAADLO C[NH+]1CCN(CC(=O)Nc2cn[nH]c2C(N)=O)CC1 ZINC001178945824 781642342 /nfs/dbraw/zinc/64/23/42/781642342.db2.gz BYTSGUWLTIBXNL-UHFFFAOYSA-N 1 2 266.305 -1.306 20 0 CAADLO C[N@@H+]1CCO[C@@H](CNC(=O)Cc2nc(N)n[nH]2)C1 ZINC001180250547 781657535 /nfs/dbraw/zinc/65/75/35/781657535.db2.gz MHUXGMARQFFIJF-ZETCQYMHSA-N 1 2 254.294 -1.624 20 0 CAADLO C[N@H+]1CCO[C@@H](CNC(=O)Cc2nc(N)n[nH]2)C1 ZINC001180250547 781657540 /nfs/dbraw/zinc/65/75/40/781657540.db2.gz MHUXGMARQFFIJF-ZETCQYMHSA-N 1 2 254.294 -1.624 20 0 CAADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)Cc1nc(N)n[nH]1 ZINC001180252305 781658242 /nfs/dbraw/zinc/65/82/42/781658242.db2.gz YBXIEKAKFLSBKO-MRVPVSSYSA-N 1 2 268.321 -1.234 20 0 CAADLO C[C@@H]1COCC[N@H+]1CCNC(=O)Cc1nc(N)n[nH]1 ZINC001180252305 781658250 /nfs/dbraw/zinc/65/82/50/781658250.db2.gz YBXIEKAKFLSBKO-MRVPVSSYSA-N 1 2 268.321 -1.234 20 0 CAADLO CC(C)[NH+]1CCN(CC(=O)Nc2c(N)c(=O)c2=O)CC1 ZINC001180343372 781659693 /nfs/dbraw/zinc/65/96/93/781659693.db2.gz UQRXBOVMQYZDLB-UHFFFAOYSA-N 1 2 280.328 -1.171 20 0 CAADLO C[NH+]1CC(NC(=O)CCC(=O)N2CCNC(=O)CC2)C1 ZINC001180268514 781660000 /nfs/dbraw/zinc/66/00/00/781660000.db2.gz KEQZCVBCYKVXNI-UHFFFAOYSA-N 1 2 282.344 -1.455 20 0 CAADLO COC(=O)[C@@H]1C[N@H+](C)CCN1C(=O)CN1C(=O)CNC1=O ZINC001180384427 781662375 /nfs/dbraw/zinc/66/23/75/781662375.db2.gz KYIUVXQVCKOMGZ-QMMMGPOBSA-N 1 2 298.299 -2.146 20 0 CAADLO COC(=O)[C@@H]1C[N@@H+](C)CCN1C(=O)CN1C(=O)CNC1=O ZINC001180384427 781662381 /nfs/dbraw/zinc/66/23/81/781662381.db2.gz KYIUVXQVCKOMGZ-QMMMGPOBSA-N 1 2 298.299 -2.146 20 0 CAADLO O=C(CN1C(=O)CNC1=O)N1CCc2[nH+]ccn2CC1 ZINC001180384302 781662480 /nfs/dbraw/zinc/66/24/80/781662480.db2.gz HGTPGTJOAVCHBR-UHFFFAOYSA-N 1 2 277.284 -1.180 20 0 CAADLO C[N@@H+]1CCO[C@H](CNC(=O)[C@H]2CSCC(=O)N2)C1 ZINC001180556178 781668482 /nfs/dbraw/zinc/66/84/82/781668482.db2.gz ONMZNKCKEBRNPI-RKDXNWHRSA-N 1 2 273.358 -1.335 20 0 CAADLO C[N@H+]1CCO[C@H](CNC(=O)[C@H]2CSCC(=O)N2)C1 ZINC001180556178 781668483 /nfs/dbraw/zinc/66/84/83/781668483.db2.gz ONMZNKCKEBRNPI-RKDXNWHRSA-N 1 2 273.358 -1.335 20 0 CAADLO NC(=O)C1CC[NH+](CCC(=O)NCc2n[nH]c(=O)[nH]2)CC1 ZINC001180612528 781671212 /nfs/dbraw/zinc/67/12/12/781671212.db2.gz QNAFKUDFNYAVRA-UHFFFAOYSA-N 1 2 296.331 -1.286 20 0 CAADLO C[N@@H+]1CCO[C@@H](C(=O)Nc2[nH]c(=O)nc3[nH]c(=O)[nH]c32)C1 ZINC001180762376 781676270 /nfs/dbraw/zinc/67/62/70/781676270.db2.gz BFAKSNZIEQJNMJ-RXMQYKEDSA-N 1 2 294.271 -1.015 20 0 CAADLO C[N@H+]1CCO[C@@H](C(=O)Nc2[nH]c(=O)nc3[nH]c(=O)[nH]c32)C1 ZINC001180762376 781676275 /nfs/dbraw/zinc/67/62/75/781676275.db2.gz BFAKSNZIEQJNMJ-RXMQYKEDSA-N 1 2 294.271 -1.015 20 0 CAADLO C[N@@H+]1CCO[C@@H](C(=O)NC2(CO)CCOCC2)C1 ZINC001180760274 781676587 /nfs/dbraw/zinc/67/65/87/781676587.db2.gz NSKIAYWXNBHYDT-SNVBAGLBSA-N 1 2 258.318 -1.025 20 0 CAADLO C[N@H+]1CCO[C@@H](C(=O)NC2(CO)CCOCC2)C1 ZINC001180760274 781676590 /nfs/dbraw/zinc/67/65/90/781676590.db2.gz NSKIAYWXNBHYDT-SNVBAGLBSA-N 1 2 258.318 -1.025 20 0 CAADLO CCc1nnc(C[NH2+][C@@H]2CCN(C(=O)CNC(N)=O)C2)o1 ZINC001180906617 781682751 /nfs/dbraw/zinc/68/27/51/781682751.db2.gz OHQVSMRIDHLFOB-MRVPVSSYSA-N 1 2 296.331 -1.009 20 0 CAADLO NC(=O)NCC(=O)N1CC[C@@H]([NH2+]Cc2csnn2)C1 ZINC001180897087 781683141 /nfs/dbraw/zinc/68/31/41/781683141.db2.gz BKPSUEWNTDMOTB-SSDOTTSWSA-N 1 2 284.345 -1.103 20 0 CAADLO O=C(NCC[NH+]1CC2(COC2)C1)[C@H]1COCCO1 ZINC001181006227 781685460 /nfs/dbraw/zinc/68/54/60/781685460.db2.gz WOQQTRBJKXNEPA-SNVBAGLBSA-N 1 2 256.302 -1.150 20 0 CAADLO C[C@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1CC(=O)N(C)C(=O)N1 ZINC001181135531 781688936 /nfs/dbraw/zinc/68/89/36/781688936.db2.gz KSALITFKIGJTGT-UWVGGRQHSA-N 1 2 298.343 -1.236 20 0 CAADLO C[C@H]1COCC[N@H+]1CCNC(=O)[C@@H]1CC(=O)N(C)C(=O)N1 ZINC001181135531 781688938 /nfs/dbraw/zinc/68/89/38/781688938.db2.gz KSALITFKIGJTGT-UWVGGRQHSA-N 1 2 298.343 -1.236 20 0 CAADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1CC(=O)N(C)C(=O)N1 ZINC001181135532 781689151 /nfs/dbraw/zinc/68/91/51/781689151.db2.gz KSALITFKIGJTGT-ZJUUUORDSA-N 1 2 298.343 -1.236 20 0 CAADLO C[C@@H]1COCC[N@H+]1CCNC(=O)[C@@H]1CC(=O)N(C)C(=O)N1 ZINC001181135532 781689153 /nfs/dbraw/zinc/68/91/53/781689153.db2.gz KSALITFKIGJTGT-ZJUUUORDSA-N 1 2 298.343 -1.236 20 0 CAADLO Nc1cc(CC(=O)NC[C@@H]2CNC(=O)CO2)cc[nH+]1 ZINC001181278909 781690976 /nfs/dbraw/zinc/69/09/76/781690976.db2.gz CMXSFFGNSDHZNL-SECBINFHSA-N 1 2 264.285 -1.163 20 0 CAADLO COC(=O)CC(=O)N1CC[N@H+](C)C[C@@H]1C(=O)OC ZINC001181385893 781692836 /nfs/dbraw/zinc/69/28/36/781692836.db2.gz QDXAGOMCNDBRER-MRVPVSSYSA-N 1 2 258.274 -1.135 20 0 CAADLO COC(=O)CC(=O)N1CC[N@@H+](C)C[C@@H]1C(=O)OC ZINC001181385893 781692843 /nfs/dbraw/zinc/69/28/43/781692843.db2.gz QDXAGOMCNDBRER-MRVPVSSYSA-N 1 2 258.274 -1.135 20 0 CAADLO [NH3+][C@@H]1NCN(C(=O)C(=O)Cc2ccccc2)[C@H]2NCN[C@H]21 ZINC001181380609 781692920 /nfs/dbraw/zinc/69/29/20/781692920.db2.gz KRYHBVNTZWLKKR-YNEHKIRRSA-N 1 2 289.339 -1.683 20 0 CAADLO COC(=O)[C@@H]1C[N@H+](C)CCN1C(=O)COC(C)=O ZINC001181400073 781693103 /nfs/dbraw/zinc/69/31/03/781693103.db2.gz RIQPSCMDDMLPIU-VIFPVBQESA-N 1 2 258.274 -1.135 20 0 CAADLO COC(=O)[C@@H]1C[N@@H+](C)CCN1C(=O)COC(C)=O ZINC001181400073 781693111 /nfs/dbraw/zinc/69/31/11/781693111.db2.gz RIQPSCMDDMLPIU-VIFPVBQESA-N 1 2 258.274 -1.135 20 0 CAADLO COC(=O)[C@H]1C[N@H+](C)CCN1C(=O)COC(C)=O ZINC001181400072 781693386 /nfs/dbraw/zinc/69/33/86/781693386.db2.gz RIQPSCMDDMLPIU-SECBINFHSA-N 1 2 258.274 -1.135 20 0 CAADLO COC(=O)[C@H]1C[N@@H+](C)CCN1C(=O)COC(C)=O ZINC001181400072 781693388 /nfs/dbraw/zinc/69/33/88/781693388.db2.gz RIQPSCMDDMLPIU-SECBINFHSA-N 1 2 258.274 -1.135 20 0 CAADLO C[NH+]1CCC(O)(C(=O)NCc2n[nH]c(=O)[nH]2)CC1 ZINC001182035741 781704928 /nfs/dbraw/zinc/70/49/28/781704928.db2.gz CKZZQVGWLIOQST-UHFFFAOYSA-N 1 2 255.278 -1.417 20 0 CAADLO CC(=O)N[C@@H](CCO)C(=O)NCCn1cc[nH+]c1 ZINC001182095225 781709681 /nfs/dbraw/zinc/70/96/81/781709681.db2.gz MQXXPEXZUVTEIH-JTQLQIEISA-N 1 2 254.290 -1.114 20 0 CAADLO CC(=O)N[C@H](CCO)C(=O)NCCc1cn(C)c[nH+]1 ZINC001182134708 781710131 /nfs/dbraw/zinc/71/01/31/781710131.db2.gz KPMILWUXNWEYHR-LLVKDONJSA-N 1 2 268.317 -1.034 20 0 CAADLO CC(=O)N[C@H](CCO)C(=O)NCC1([NH+]2CCCC2)COC1 ZINC001182135283 781711417 /nfs/dbraw/zinc/71/14/17/781711417.db2.gz TXEMYWJRBHODRP-GFCCVEGCSA-N 1 2 299.371 -1.146 20 0 CAADLO CC(=O)N[C@@H](CCO)C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC001182139353 781711757 /nfs/dbraw/zinc/71/17/57/781711757.db2.gz ROKSZBRLRMGECX-PWSUYJOCSA-N 1 2 287.360 -1.290 20 0 CAADLO CC(=O)N[C@@H](CCO)C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC001182139353 781711765 /nfs/dbraw/zinc/71/17/65/781711765.db2.gz ROKSZBRLRMGECX-PWSUYJOCSA-N 1 2 287.360 -1.290 20 0 CAADLO NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CNC(N)=O)C2 ZINC001110275766 781717762 /nfs/dbraw/zinc/71/77/62/781717762.db2.gz VVJGDSMYLDAZMI-PRJMDXOYSA-N 1 2 269.305 -2.139 20 0 CAADLO NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CNC(N)=O)C2 ZINC001110275766 781717767 /nfs/dbraw/zinc/71/77/67/781717767.db2.gz VVJGDSMYLDAZMI-PRJMDXOYSA-N 1 2 269.305 -2.139 20 0 CAADLO NC(=O)[C@H]1C[C@H]1C(=O)N[C@@H](CO)Cc1c[nH]c[nH+]1 ZINC001182385077 781719204 /nfs/dbraw/zinc/71/92/04/781719204.db2.gz KHQVJVWRYJAIOP-HRDYMLBCSA-N 1 2 252.274 -1.449 20 0 CAADLO NC(=O)[C@H]1C[C@H]1C(=O)N[C@@H](CO)Cc1c[nH+]c[nH]1 ZINC001182385077 781719207 /nfs/dbraw/zinc/71/92/07/781719207.db2.gz KHQVJVWRYJAIOP-HRDYMLBCSA-N 1 2 252.274 -1.449 20 0 CAADLO NC(=O)[C@@H]1C[C@H]1C(=O)N[C@@H](CO)Cc1c[nH]c[nH+]1 ZINC001182385078 781719279 /nfs/dbraw/zinc/71/92/79/781719279.db2.gz KHQVJVWRYJAIOP-IWSPIJDZSA-N 1 2 252.274 -1.449 20 0 CAADLO NC(=O)[C@@H]1C[C@H]1C(=O)N[C@@H](CO)Cc1c[nH+]c[nH]1 ZINC001182385078 781719287 /nfs/dbraw/zinc/71/92/87/781719287.db2.gz KHQVJVWRYJAIOP-IWSPIJDZSA-N 1 2 252.274 -1.449 20 0 CAADLO COC(=O)[C@@H]1C[N@H+](C)CCN1C(=O)[C@H]1C[C@H]1C(N)=O ZINC001182382039 781719750 /nfs/dbraw/zinc/71/97/50/781719750.db2.gz UGIVLJVAZOQUDG-VGMNWLOBSA-N 1 2 269.301 -1.577 20 0 CAADLO COC(=O)[C@@H]1C[N@@H+](C)CCN1C(=O)[C@H]1C[C@H]1C(N)=O ZINC001182382039 781719755 /nfs/dbraw/zinc/71/97/55/781719755.db2.gz UGIVLJVAZOQUDG-VGMNWLOBSA-N 1 2 269.301 -1.577 20 0 CAADLO COC(=O)[C@H](Cc1c[nH+]cn1C)NC(=O)[C@@H]1C[C@@H]1C(N)=O ZINC001182393979 781721503 /nfs/dbraw/zinc/72/15/03/781721503.db2.gz YGVUBSICCYYAMO-AEJSXWLSSA-N 1 2 294.311 -1.258 20 0 CAADLO O=C(N[C@@H](CO)Cc1c[nH]c[nH+]1)C1CS(=O)(=O)C1 ZINC001182816207 781728521 /nfs/dbraw/zinc/72/85/21/781728521.db2.gz RPVNFEVGTFLUGN-SECBINFHSA-N 1 2 273.314 -1.526 20 0 CAADLO O=C(N[C@@H](CO)Cc1c[nH+]c[nH]1)C1CS(=O)(=O)C1 ZINC001182816207 781728527 /nfs/dbraw/zinc/72/85/27/781728527.db2.gz RPVNFEVGTFLUGN-SECBINFHSA-N 1 2 273.314 -1.526 20 0 CAADLO [NH3+][C@@H]1NCN(C(=O)C2CS(=O)(=O)C2)[C@@H]2NCN[C@@H]21 ZINC001182817294 781729903 /nfs/dbraw/zinc/72/99/03/781729903.db2.gz UKHXVFSIJYWNPD-PRJMDXOYSA-N 1 2 275.334 -3.450 20 0 CAADLO CN1C[C@@H](C(=O)N[C@@H](CO)Cc2c[nH]c[nH+]2)NC1=O ZINC001183075333 781737902 /nfs/dbraw/zinc/73/79/02/781737902.db2.gz SZYWWJAVKKCKJL-BDAKNGLRSA-N 1 2 267.289 -1.547 20 0 CAADLO CN1C[C@@H](C(=O)N[C@@H](CO)Cc2c[nH+]c[nH]2)NC1=O ZINC001183075333 781737908 /nfs/dbraw/zinc/73/79/08/781737908.db2.gz SZYWWJAVKKCKJL-BDAKNGLRSA-N 1 2 267.289 -1.547 20 0 CAADLO C[C@@H]1CN(C(=O)Cc2ncn[nH]2)C[C@@]1(C)C[NH2+]CC(N)=O ZINC001183117538 781738364 /nfs/dbraw/zinc/73/83/64/781738364.db2.gz LRAKJJSQOTURSY-NOZJJQNGSA-N 1 2 294.359 -1.093 20 0 CAADLO [NH3+][C@@H]1NCN(C(=O)[C@H](O)C(F)(F)F)[C@H]2NCN[C@H]21 ZINC001183199984 781740894 /nfs/dbraw/zinc/74/08/94/781740894.db2.gz ABHWGOKMGHVIJO-UNTFVMJOSA-N 1 2 269.227 -2.571 20 0 CAADLO CS(=O)(=O)N(CC[NH3+])C(=O)[C@H](CO)C(F)(F)F ZINC001183278437 781741367 /nfs/dbraw/zinc/74/13/67/781741367.db2.gz HBOVIIYPPBDXNX-YFKPBYRVSA-N 1 2 278.252 -1.096 20 0 CAADLO CS(=O)(=O)N(CC[NH3+])C(=O)[C@@H](CO)C(F)(F)F ZINC001183278436 781741486 /nfs/dbraw/zinc/74/14/86/781741486.db2.gz HBOVIIYPPBDXNX-RXMQYKEDSA-N 1 2 278.252 -1.096 20 0 CAADLO CO[C@@H](C[NH+]1CC(O)(C(N)=O)C1)C1CCOCC1 ZINC001183620511 781746851 /nfs/dbraw/zinc/74/68/51/781746851.db2.gz SPMXYWASIPDXRI-JTQLQIEISA-N 1 2 258.318 -1.040 20 0 CAADLO CC(=O)N[C@H](C(=O)NCC[N@@H+]1CCOC[C@H]1C)[C@@H](C)O ZINC001183703062 781750514 /nfs/dbraw/zinc/75/05/14/781750514.db2.gz LZGQDQJNMHGRNO-FOGDFJRCSA-N 1 2 287.360 -1.291 20 0 CAADLO CC(=O)N[C@H](C(=O)NCC[N@H+]1CCOC[C@H]1C)[C@@H](C)O ZINC001183703062 781750523 /nfs/dbraw/zinc/75/05/23/781750523.db2.gz LZGQDQJNMHGRNO-FOGDFJRCSA-N 1 2 287.360 -1.291 20 0 CAADLO CC(=O)N[C@H](C(=O)NCCc1cn(C)c[nH+]1)[C@@H](C)O ZINC001183702472 781750558 /nfs/dbraw/zinc/75/05/58/781750558.db2.gz KGOLEIZQVBDCNV-KCJUWKMLSA-N 1 2 268.317 -1.036 20 0 CAADLO CC(=O)N[C@H](C(=O)NCC[N@@H+]1CCOC[C@@H]1C)[C@@H](C)O ZINC001183703063 781750874 /nfs/dbraw/zinc/75/08/74/781750874.db2.gz LZGQDQJNMHGRNO-UMNHJUIQSA-N 1 2 287.360 -1.291 20 0 CAADLO CC(=O)N[C@H](C(=O)NCC[N@H+]1CCOC[C@@H]1C)[C@@H](C)O ZINC001183703063 781750879 /nfs/dbraw/zinc/75/08/79/781750879.db2.gz LZGQDQJNMHGRNO-UMNHJUIQSA-N 1 2 287.360 -1.291 20 0 CAADLO CC(=O)N[C@H](C(=O)NCCc1[nH+]ccn1C)[C@@H](C)O ZINC001183703911 781751929 /nfs/dbraw/zinc/75/19/29/781751929.db2.gz XTQWPFVEULAAJC-KCJUWKMLSA-N 1 2 268.317 -1.036 20 0 CAADLO O=C(C[C@@H]1NC(=O)CNC1=O)N[C@@H](CO)Cc1c[nH]c[nH+]1 ZINC001183726532 781753511 /nfs/dbraw/zinc/75/35/11/781753511.db2.gz FWSGWVKWXWEBSU-BDAKNGLRSA-N 1 2 295.299 -2.566 20 0 CAADLO O=C(C[C@@H]1NC(=O)CNC1=O)N[C@@H](CO)Cc1c[nH+]c[nH]1 ZINC001183726532 781753513 /nfs/dbraw/zinc/75/35/13/781753513.db2.gz FWSGWVKWXWEBSU-BDAKNGLRSA-N 1 2 295.299 -2.566 20 0 CAADLO CO[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC(N)=O ZINC001110341111 781758603 /nfs/dbraw/zinc/75/86/03/781758603.db2.gz BTHQGSHCCZICRJ-KYXWUPHJSA-N 1 2 298.343 -1.062 20 0 CAADLO CO[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC(N)=O ZINC001110341111 781758604 /nfs/dbraw/zinc/75/86/04/781758604.db2.gz BTHQGSHCCZICRJ-KYXWUPHJSA-N 1 2 298.343 -1.062 20 0 CAADLO CNS(=O)(=O)CC(=O)NCC[NH2+]Cc1cnsn1 ZINC001151373180 781759887 /nfs/dbraw/zinc/75/98/87/781759887.db2.gz KMSBEKBPVDTIRO-UHFFFAOYSA-N 1 2 293.374 -1.707 20 0 CAADLO CNS(=O)(=O)CC(=O)NCC[NH2+]Cc1ncc(C)o1 ZINC001151373831 781760509 /nfs/dbraw/zinc/76/05/09/781760509.db2.gz ZGDMZCUQIQOAMA-UHFFFAOYSA-N 1 2 290.345 -1.262 20 0 CAADLO C[C@@H]1NC(=O)[C@H](CCC(=O)NCCn2cc[nH+]c2)NC1=O ZINC001184063699 781760590 /nfs/dbraw/zinc/76/05/90/781760590.db2.gz RCXJURQUJQIIJI-UWVGGRQHSA-N 1 2 293.327 -1.217 20 0 CAADLO COC(=O)[C@H]1C[N@H+](C)CCN1C(=O)C1(CO)COC1 ZINC001184044755 781761568 /nfs/dbraw/zinc/76/15/68/781761568.db2.gz ZHGKUVXXZKJCAC-SECBINFHSA-N 1 2 272.301 -1.689 20 0 CAADLO COC(=O)[C@H]1C[N@@H+](C)CCN1C(=O)C1(CO)COC1 ZINC001184044755 781761582 /nfs/dbraw/zinc/76/15/82/781761582.db2.gz ZHGKUVXXZKJCAC-SECBINFHSA-N 1 2 272.301 -1.689 20 0 CAADLO COC(=O)[C@H](Cc1c[nH+]cn1C)NC(=O)C1(CO)COC1 ZINC001184047640 781763103 /nfs/dbraw/zinc/76/31/03/781763103.db2.gz UGSPBCLUOHPGPJ-JTQLQIEISA-N 1 2 297.311 -1.371 20 0 CAADLO CC(C)CC(=O)C(=O)N1CN[C@H]([NH3+])[C@@H]2NCN[C@H]21 ZINC001184331770 781766513 /nfs/dbraw/zinc/76/65/13/781766513.db2.gz BDOJZSHDGPAHTJ-GUBZILKMSA-N 1 2 255.322 -1.879 20 0 CAADLO CC(=O)[C@H](C)CC(=O)N1CN[C@H]([NH3+])[C@H]2NCN[C@@H]21 ZINC001184343741 781766652 /nfs/dbraw/zinc/76/66/52/781766652.db2.gz IRMWNBXXFXVPFP-ZAVXEINISA-N 1 2 255.322 -1.879 20 0 CAADLO CC(=O)[C@H](C)CC(=O)N1CN[C@H]([NH3+])[C@@H]2NCN[C@H]21 ZINC001184343738 781766804 /nfs/dbraw/zinc/76/68/04/781766804.db2.gz IRMWNBXXFXVPFP-LFRFXUESSA-N 1 2 255.322 -1.879 20 0 CAADLO CC(C)CC(=O)C(=O)N1CN[C@H]([NH3+])[C@H]2NCN[C@H]21 ZINC001184331776 781766835 /nfs/dbraw/zinc/76/68/35/781766835.db2.gz BDOJZSHDGPAHTJ-UTLUCORTSA-N 1 2 255.322 -1.879 20 0 CAADLO COC(=O)[C@H]1C[N@H+](C)CCN1C(=O)[C@@H]1CCC(=O)N1C ZINC001184310085 781767245 /nfs/dbraw/zinc/76/72/45/781767245.db2.gz JFUZHKNZEXJDPI-VHSXEESVSA-N 1 2 283.328 -1.077 20 0 CAADLO COC(=O)[C@H]1C[N@@H+](C)CCN1C(=O)[C@@H]1CCC(=O)N1C ZINC001184310085 781767249 /nfs/dbraw/zinc/76/72/49/781767249.db2.gz JFUZHKNZEXJDPI-VHSXEESVSA-N 1 2 283.328 -1.077 20 0 CAADLO CSCC[C@H](NC(=O)C[N@@H+]1CC[C@@H](O)C1)C(N)=O ZINC001186055526 781799312 /nfs/dbraw/zinc/79/93/12/781799312.db2.gz ROMNFCKMWLJNFC-BDAKNGLRSA-N 1 2 275.374 -1.224 20 0 CAADLO CSCC[C@H](NC(=O)C[N@H+]1CC[C@@H](O)C1)C(N)=O ZINC001186055526 781799316 /nfs/dbraw/zinc/79/93/16/781799316.db2.gz ROMNFCKMWLJNFC-BDAKNGLRSA-N 1 2 275.374 -1.224 20 0 CAADLO CN(CCC[N@H+](C)Cc1nc(=O)n(C)[nH]1)C(=O)CC(N)=O ZINC001273495976 781773358 /nfs/dbraw/zinc/77/33/58/781773358.db2.gz PKVMMNKXKLXPMF-UHFFFAOYSA-N 1 2 298.347 -1.736 20 0 CAADLO CN(CCC[N@@H+](C)Cc1nc(=O)n(C)[nH]1)C(=O)CC(N)=O ZINC001273495976 781773367 /nfs/dbraw/zinc/77/33/67/781773367.db2.gz PKVMMNKXKLXPMF-UHFFFAOYSA-N 1 2 298.347 -1.736 20 0 CAADLO CC(=O)NCCCNS(=O)(=O)N1CC[NH+](C)CC1 ZINC001185216463 781775066 /nfs/dbraw/zinc/77/50/66/781775066.db2.gz ZOFPQKWFKFRRPQ-UHFFFAOYSA-N 1 2 278.378 -1.406 20 0 CAADLO CN1CC[N@H+](C)C[C@H]1C(=O)Nc1c(N)c(=O)c1=O ZINC001185245412 781776064 /nfs/dbraw/zinc/77/60/64/781776064.db2.gz VNOAAHPNGPQCOB-LURJTMIESA-N 1 2 252.274 -1.951 20 0 CAADLO CN1CC[N@@H+](C)C[C@H]1C(=O)Nc1c(N)c(=O)c1=O ZINC001185245412 781776065 /nfs/dbraw/zinc/77/60/65/781776065.db2.gz VNOAAHPNGPQCOB-LURJTMIESA-N 1 2 252.274 -1.951 20 0 CAADLO CN1CC[N@H+](C)C[C@H]1C(=O)Nc1cn[nH]c1C(N)=O ZINC001185245401 781776848 /nfs/dbraw/zinc/77/68/48/781776848.db2.gz VECHIOYDYVTWRR-QMMMGPOBSA-N 1 2 266.305 -1.307 20 0 CAADLO CN1CC[N@@H+](C)C[C@H]1C(=O)Nc1cn[nH]c1C(N)=O ZINC001185245401 781776854 /nfs/dbraw/zinc/77/68/54/781776854.db2.gz VECHIOYDYVTWRR-QMMMGPOBSA-N 1 2 266.305 -1.307 20 0 CAADLO CN1CC[N@H+](C)C[C@@H]1C(=O)NCc1n[nH]c(=O)[nH]1 ZINC001185264223 781782143 /nfs/dbraw/zinc/78/21/43/781782143.db2.gz XRTQIDGKZOEJDJ-SSDOTTSWSA-N 1 2 254.294 -1.628 20 0 CAADLO CN1CC[N@@H+](C)C[C@@H]1C(=O)NCc1n[nH]c(=O)[nH]1 ZINC001185264223 781782152 /nfs/dbraw/zinc/78/21/52/781782152.db2.gz XRTQIDGKZOEJDJ-SSDOTTSWSA-N 1 2 254.294 -1.628 20 0 CAADLO NC(=O)C(=O)N1CCC[C@H](n2cc(C[NH2+]CCF)nn2)C1 ZINC001185993048 781791925 /nfs/dbraw/zinc/79/19/25/781791925.db2.gz VPEYIOKOZHKQPL-JTQLQIEISA-N 1 2 298.322 -1.014 20 0 CAADLO O=C(C[N@H+]1CC[C@@H](O)C1)Nc1ncnc2n[nH]nc21 ZINC001186034199 781792038 /nfs/dbraw/zinc/79/20/38/781792038.db2.gz QBZBEQQBSMACFL-ZCFIWIBFSA-N 1 2 263.261 -1.247 20 0 CAADLO O=C(C[N@@H+]1CC[C@@H](O)C1)Nc1ncnc2n[nH]nc21 ZINC001186034199 781792045 /nfs/dbraw/zinc/79/20/45/781792045.db2.gz QBZBEQQBSMACFL-ZCFIWIBFSA-N 1 2 263.261 -1.247 20 0 CAADLO NC(=O)c1n[nH]cc1NC(=O)C[N@@H+]1CC[C@H](O)C1 ZINC001186033188 781792162 /nfs/dbraw/zinc/79/21/62/781792162.db2.gz DYODSGNABSCXTO-LURJTMIESA-N 1 2 253.262 -1.486 20 0 CAADLO NC(=O)c1n[nH]cc1NC(=O)C[N@H+]1CC[C@H](O)C1 ZINC001186033188 781792168 /nfs/dbraw/zinc/79/21/68/781792168.db2.gz DYODSGNABSCXTO-LURJTMIESA-N 1 2 253.262 -1.486 20 0 CAADLO O=C(C[N@H+]1CC[C@H](O)C1)N[C@H]1COCCC12OCCO2 ZINC001186048363 781795646 /nfs/dbraw/zinc/79/56/46/781795646.db2.gz GQXVBVACOBWGLQ-QWRGUYRKSA-N 1 2 286.328 -1.299 20 0 CAADLO O=C(C[N@@H+]1CC[C@H](O)C1)N[C@H]1COCCC12OCCO2 ZINC001186048363 781795655 /nfs/dbraw/zinc/79/56/55/781795655.db2.gz GQXVBVACOBWGLQ-QWRGUYRKSA-N 1 2 286.328 -1.299 20 0 CAADLO O=C(C[N@H+]1CC[C@H](O)C1)N[C@@H]1CCC(=O)NC1=O ZINC001186049094 781795993 /nfs/dbraw/zinc/79/59/93/781795993.db2.gz JZNDHDZLYDLDKO-JGVFFNPUSA-N 1 2 255.274 -2.026 20 0 CAADLO O=C(C[N@@H+]1CC[C@H](O)C1)N[C@@H]1CCC(=O)NC1=O ZINC001186049094 781795998 /nfs/dbraw/zinc/79/59/98/781795998.db2.gz JZNDHDZLYDLDKO-JGVFFNPUSA-N 1 2 255.274 -2.026 20 0 CAADLO COC(=O)[C@@H](NC(=O)C[N@@H+]1CC[C@@H](O)C1)[C@@H](C)O ZINC001186047694 781796732 /nfs/dbraw/zinc/79/67/32/781796732.db2.gz BMTVTCOVZOFGAP-MRTMQBJTSA-N 1 2 260.290 -1.908 20 0 CAADLO COC(=O)[C@@H](NC(=O)C[N@H+]1CC[C@@H](O)C1)[C@@H](C)O ZINC001186047694 781796742 /nfs/dbraw/zinc/79/67/42/781796742.db2.gz BMTVTCOVZOFGAP-MRTMQBJTSA-N 1 2 260.290 -1.908 20 0 CAADLO CN1CCC[C@H](NC(=O)C[N@@H+]2CC[C@@H](O)C2)C1=O ZINC001186055932 781798261 /nfs/dbraw/zinc/79/82/61/781798261.db2.gz WIFPHJZJNRUUCS-ZJUUUORDSA-N 1 2 255.318 -1.210 20 0 CAADLO CN1CCC[C@H](NC(=O)C[N@H+]2CC[C@@H](O)C2)C1=O ZINC001186055932 781798267 /nfs/dbraw/zinc/79/82/67/781798267.db2.gz WIFPHJZJNRUUCS-ZJUUUORDSA-N 1 2 255.318 -1.210 20 0 CAADLO CN(C)S(=O)(=O)CCNC(=O)C[N@@H+]1CC[C@@H](O)C1 ZINC001186054865 781799232 /nfs/dbraw/zinc/79/92/32/781799232.db2.gz IURCMRBFYOVNTK-SECBINFHSA-N 1 2 279.362 -1.939 20 0 CAADLO CN(C)S(=O)(=O)CCNC(=O)C[N@H+]1CC[C@@H](O)C1 ZINC001186054865 781799238 /nfs/dbraw/zinc/79/92/38/781799238.db2.gz IURCMRBFYOVNTK-SECBINFHSA-N 1 2 279.362 -1.939 20 0 CAADLO O=C(C[N@H+]1CC[C@@H](O)C1)Nc1[nH]c(=O)nc2[nH]c(=O)[nH]c21 ZINC001186054683 781800239 /nfs/dbraw/zinc/80/02/39/781800239.db2.gz GNCQYJIDJQJPPJ-RXMQYKEDSA-N 1 2 294.271 -1.279 20 0 CAADLO O=C(C[N@@H+]1CC[C@@H](O)C1)Nc1[nH]c(=O)nc2[nH]c(=O)[nH]c21 ZINC001186054683 781800247 /nfs/dbraw/zinc/80/02/47/781800247.db2.gz GNCQYJIDJQJPPJ-RXMQYKEDSA-N 1 2 294.271 -1.279 20 0 CAADLO COC(=O)[C@H]1CC[N@H+](CC(=O)N[C@H](CO)C(N)=O)C1 ZINC001186115613 781802529 /nfs/dbraw/zinc/80/25/29/781802529.db2.gz GAEXFCUEYKQFAN-JGVFFNPUSA-N 1 2 273.289 -2.556 20 0 CAADLO COC(=O)[C@H]1CC[N@@H+](CC(=O)N[C@H](CO)C(N)=O)C1 ZINC001186115613 781802536 /nfs/dbraw/zinc/80/25/36/781802536.db2.gz GAEXFCUEYKQFAN-JGVFFNPUSA-N 1 2 273.289 -2.556 20 0 CAADLO COC(=O)[C@H]1CC[N@H+](CC(=O)Nc2nnnn2C)C1 ZINC001186099702 781802955 /nfs/dbraw/zinc/80/29/55/781802955.db2.gz YZDCHWZJAXOUEZ-ZETCQYMHSA-N 1 2 268.277 -1.357 20 0 CAADLO COC(=O)[C@H]1CC[N@@H+](CC(=O)Nc2nnnn2C)C1 ZINC001186099702 781802963 /nfs/dbraw/zinc/80/29/63/781802963.db2.gz YZDCHWZJAXOUEZ-ZETCQYMHSA-N 1 2 268.277 -1.357 20 0 CAADLO [NH3+][C@@H]1NCN(C(=O)c2ccc(O)c(F)c2)[C@@H]2NCN[C@H]21 ZINC001186241931 781804318 /nfs/dbraw/zinc/80/43/18/781804318.db2.gz GFOXDGPZHOMFQR-AXFHLTTASA-N 1 2 281.291 -1.336 20 0 CAADLO C[NH+]1CC2(C1)COCC(=O)N2C[C@H]1CCC(=O)N1 ZINC001273524616 781808822 /nfs/dbraw/zinc/80/88/22/781808822.db2.gz CJYLGBWFBYMPJY-SECBINFHSA-N 1 2 253.302 -1.192 20 0 CAADLO Cn1cnnc1CN1C(=O)COCC12C[NH+](C)C2 ZINC001273524697 781810235 /nfs/dbraw/zinc/81/02/35/781810235.db2.gz FQQMERLCUXELCE-UHFFFAOYSA-N 1 2 251.290 -1.142 20 0 CAADLO CC(=O)N[C@H](C)C(=O)O[C@H](C)C(=O)NC1C[NH+](C)C1 ZINC001186727215 781811437 /nfs/dbraw/zinc/81/14/37/781811437.db2.gz XGUCCIWUIXLETI-HTQZYQBOSA-N 1 2 271.317 -1.127 20 0 CAADLO CNC(=O)C[NH2+][C@@H]1CCN(C(=O)Cc2ncn[nH]2)C1 ZINC001186968988 781814320 /nfs/dbraw/zinc/81/43/20/781814320.db2.gz YIXSOCVRFRSYBO-MRVPVSSYSA-N 1 2 266.305 -1.716 20 0 CAADLO [NH3+][C@@H]1NCN(C(=O)CN2CCC(=O)C2)[C@@H]2NCN[C@H]21 ZINC001187337279 781819232 /nfs/dbraw/zinc/81/92/32/781819232.db2.gz KSIWUUKNJDLQOX-AXFHLTTASA-N 1 2 268.321 -3.220 20 0 CAADLO CCN(C(=O)CNC(=O)[C@@H]1CCC(=O)N1)C1C[NH+](C)C1 ZINC001187519102 781822302 /nfs/dbraw/zinc/82/23/02/781822302.db2.gz JDPPJRVCIYKTCA-JTQLQIEISA-N 1 2 282.344 -1.456 20 0 CAADLO [NH3+][C@@H]1NCN(C(=O)C2(C(=O)C3CC3)CC2)[C@H]2NCN[C@H]21 ZINC001187652192 781827688 /nfs/dbraw/zinc/82/76/88/781827688.db2.gz CYIWSKYGORVFGC-JMJZKYOTSA-N 1 2 279.344 -1.735 20 0 CAADLO COC(=O)CCS(=O)(=O)NCC[NH+]1CC2(COC2)C1 ZINC001188409600 781840470 /nfs/dbraw/zinc/84/04/70/781840470.db2.gz MOGXYGNCNUQVRV-UHFFFAOYSA-N 1 2 292.357 -1.199 20 0 CAADLO Cn1nncc1C[N@H+](C)[C@H]1CCN(C(=O)CNC(N)=O)C1 ZINC001188829537 781844811 /nfs/dbraw/zinc/84/48/11/781844811.db2.gz VWVSGHSYZOTCCV-VIFPVBQESA-N 1 2 295.347 -1.484 20 0 CAADLO Cn1nncc1C[N@@H+](C)[C@H]1CCN(C(=O)CNC(N)=O)C1 ZINC001188829537 781844821 /nfs/dbraw/zinc/84/48/21/781844821.db2.gz VWVSGHSYZOTCCV-VIFPVBQESA-N 1 2 295.347 -1.484 20 0 CAADLO COCCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(N)=O ZINC001110404112 781848899 /nfs/dbraw/zinc/84/88/99/781848899.db2.gz ABKCQZHAVXZRBT-MXWKQRLJSA-N 1 2 285.344 -1.144 20 0 CAADLO COCCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(N)=O ZINC001110404112 781848914 /nfs/dbraw/zinc/84/89/14/781848914.db2.gz ABKCQZHAVXZRBT-MXWKQRLJSA-N 1 2 285.344 -1.144 20 0 CAADLO CCCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)C(N)=O)[C@@H]2C1 ZINC001188985977 781849203 /nfs/dbraw/zinc/84/92/03/781849203.db2.gz ZKOMMGBLJDBNCQ-VHSXEESVSA-N 1 2 282.344 -1.469 20 0 CAADLO CCCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)C(N)=O)[C@@H]2C1 ZINC001188985977 781849212 /nfs/dbraw/zinc/84/92/12/781849212.db2.gz ZKOMMGBLJDBNCQ-VHSXEESVSA-N 1 2 282.344 -1.469 20 0 CAADLO CCN(C(=O)c1cc(=O)n(C)c(=O)n1C)C1C[NH+](C)C1 ZINC001189427622 781857054 /nfs/dbraw/zinc/85/70/54/781857054.db2.gz CMRNZOPUAYZDAR-UHFFFAOYSA-N 1 2 280.328 -1.140 20 0 CAADLO CCN(CC[NH2+]Cc1nncn1C)C(=O)C(N)=O ZINC001273581802 781859693 /nfs/dbraw/zinc/85/96/93/781859693.db2.gz JWZVBXNCQOKGRA-UHFFFAOYSA-N 1 2 254.294 -1.762 20 0 CAADLO CCN(CC[NH2+]Cc1nnc2n1CCOC2)C(=O)C(N)=O ZINC001273581831 781860310 /nfs/dbraw/zinc/86/03/10/781860310.db2.gz LDMJAUSERONWSU-UHFFFAOYSA-N 1 2 296.331 -1.768 20 0 CAADLO Cn1nncc1C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC(N)=O)C2 ZINC001110414609 781863977 /nfs/dbraw/zinc/86/39/77/781863977.db2.gz AAZLLAGYBOLAMR-IEBDPFPHSA-N 1 2 292.343 -1.088 20 0 CAADLO Cn1nncc1C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC(N)=O)C2 ZINC001110414609 781863984 /nfs/dbraw/zinc/86/39/84/781863984.db2.gz AAZLLAGYBOLAMR-IEBDPFPHSA-N 1 2 292.343 -1.088 20 0 CAADLO CCC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)NC(N)=O)C[C@H]1O ZINC001190561362 781874963 /nfs/dbraw/zinc/87/49/63/781874963.db2.gz PAZVAZGTNACLLP-BWZBUEFSSA-N 1 2 272.305 -1.859 20 0 CAADLO CCC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)NC(N)=O)C[C@H]1O ZINC001190561362 781874972 /nfs/dbraw/zinc/87/49/72/781874972.db2.gz PAZVAZGTNACLLP-BWZBUEFSSA-N 1 2 272.305 -1.859 20 0 CAADLO COCCCNC(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(C)=O)C1 ZINC001190573180 781875323 /nfs/dbraw/zinc/87/53/23/781875323.db2.gz LXABWWCIQORCMC-GHMZBOCLSA-N 1 2 273.333 -1.680 20 0 CAADLO COCCCNC(=O)C[N@H+]1C[C@@H](O)[C@H](NC(C)=O)C1 ZINC001190573180 781875324 /nfs/dbraw/zinc/87/53/24/781875324.db2.gz LXABWWCIQORCMC-GHMZBOCLSA-N 1 2 273.333 -1.680 20 0 CAADLO C[C@@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2CC2)C1 ZINC001190594923 781878560 /nfs/dbraw/zinc/87/85/60/781878560.db2.gz YVBCNDDQKYNTOH-NBEYISGCSA-N 1 2 284.316 -1.859 20 0 CAADLO C[C@@H](C(=O)NC(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)C2CC2)C1 ZINC001190594923 781878566 /nfs/dbraw/zinc/87/85/66/781878566.db2.gz YVBCNDDQKYNTOH-NBEYISGCSA-N 1 2 284.316 -1.859 20 0 CAADLO COCCC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCN(C)C2=O)C[C@H]1O ZINC001190609199 781878577 /nfs/dbraw/zinc/87/85/77/781878577.db2.gz BFYUEUUZGWGCKD-GMTAPVOTSA-N 1 2 285.344 -1.585 20 0 CAADLO COCCC(=O)N[C@@H]1C[N@H+]([C@@H]2CCN(C)C2=O)C[C@H]1O ZINC001190609199 781878580 /nfs/dbraw/zinc/87/85/80/781878580.db2.gz BFYUEUUZGWGCKD-GMTAPVOTSA-N 1 2 285.344 -1.585 20 0 CAADLO COCCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(N)=O)C[C@H]1O ZINC001190610498 781879112 /nfs/dbraw/zinc/87/91/12/781879112.db2.gz VUYCQMASCGJFMW-DJLDLDEBSA-N 1 2 259.306 -1.942 20 0 CAADLO COCCC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(N)=O)C[C@H]1O ZINC001190610498 781879122 /nfs/dbraw/zinc/87/91/22/781879122.db2.gz VUYCQMASCGJFMW-DJLDLDEBSA-N 1 2 259.306 -1.942 20 0 CAADLO CCN(CC)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)COC)C1 ZINC001190593427 781879402 /nfs/dbraw/zinc/87/94/02/781879402.db2.gz MWLGTADPGVQAHP-GHMZBOCLSA-N 1 2 287.360 -1.338 20 0 CAADLO CCN(CC)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)COC)C1 ZINC001190593427 781879408 /nfs/dbraw/zinc/87/94/08/781879408.db2.gz MWLGTADPGVQAHP-GHMZBOCLSA-N 1 2 287.360 -1.338 20 0 CAADLO COCCC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)N(C)C)C[C@H]1O ZINC001190602532 781879608 /nfs/dbraw/zinc/87/96/08/781879608.db2.gz YYCRPPCXPRGOQC-GMTAPVOTSA-N 1 2 287.360 -1.339 20 0 CAADLO COCCC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)N(C)C)C[C@H]1O ZINC001190602532 781879613 /nfs/dbraw/zinc/87/96/13/781879613.db2.gz YYCRPPCXPRGOQC-GMTAPVOTSA-N 1 2 287.360 -1.339 20 0 CAADLO COCC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCCNC2=O)C[C@H]1O ZINC001190594322 781879681 /nfs/dbraw/zinc/87/96/81/781879681.db2.gz UCCUTIPZSJHXOS-OPRDCNLKSA-N 1 2 271.317 -1.927 20 0 CAADLO COCC(=O)N[C@@H]1C[N@H+]([C@@H]2CCCNC2=O)C[C@H]1O ZINC001190594322 781879690 /nfs/dbraw/zinc/87/96/90/781879690.db2.gz UCCUTIPZSJHXOS-OPRDCNLKSA-N 1 2 271.317 -1.927 20 0 CAADLO C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC2CC2)C1 ZINC001190626538 781880199 /nfs/dbraw/zinc/88/01/99/781880199.db2.gz IHKPRKGATSWJOM-SZEHBUNVSA-N 1 2 298.343 -1.469 20 0 CAADLO C[C@H](C(=O)NC(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)CC2CC2)C1 ZINC001190626538 781880202 /nfs/dbraw/zinc/88/02/02/781880202.db2.gz IHKPRKGATSWJOM-SZEHBUNVSA-N 1 2 298.343 -1.469 20 0 CAADLO CCN1CC[C@@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)CCOC)C2)C1=O ZINC001190638708 781880420 /nfs/dbraw/zinc/88/04/20/781880420.db2.gz FIHZZGTXLDHEER-IJLUTSLNSA-N 1 2 299.371 -1.195 20 0 CAADLO CCN1CC[C@@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)CCOC)C2)C1=O ZINC001190638708 781880429 /nfs/dbraw/zinc/88/04/29/781880429.db2.gz FIHZZGTXLDHEER-IJLUTSLNSA-N 1 2 299.371 -1.195 20 0 CAADLO COCCC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCCNC2=O)C[C@H]1O ZINC001190633839 781880552 /nfs/dbraw/zinc/88/05/52/781880552.db2.gz MQZRIQUEEHEWPL-GMTAPVOTSA-N 1 2 285.344 -1.537 20 0 CAADLO COCCC(=O)N[C@@H]1C[N@H+]([C@@H]2CCCNC2=O)C[C@H]1O ZINC001190633839 781880559 /nfs/dbraw/zinc/88/05/59/781880559.db2.gz MQZRIQUEEHEWPL-GMTAPVOTSA-N 1 2 285.344 -1.537 20 0 CAADLO COCCC(=O)N[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@H]1O ZINC001190633294 781880628 /nfs/dbraw/zinc/88/06/28/781880628.db2.gz HAVOKOSJXDNMNM-KXUCPTDWSA-N 1 2 271.317 -1.927 20 0 CAADLO COCCC(=O)N[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@H]1O ZINC001190633294 781880636 /nfs/dbraw/zinc/88/06/36/781880636.db2.gz HAVOKOSJXDNMNM-KXUCPTDWSA-N 1 2 271.317 -1.927 20 0 CAADLO CCN1CC[C@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)CCOC)C2)C1=O ZINC001190638707 781880857 /nfs/dbraw/zinc/88/08/57/781880857.db2.gz FIHZZGTXLDHEER-GRYCIOLGSA-N 1 2 299.371 -1.195 20 0 CAADLO CCN1CC[C@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)CCOC)C2)C1=O ZINC001190638707 781880865 /nfs/dbraw/zinc/88/08/65/781880865.db2.gz FIHZZGTXLDHEER-GRYCIOLGSA-N 1 2 299.371 -1.195 20 0 CAADLO COCCC(=O)N[C@@H]1C[N@H+](CC(=O)NC2CC2)C[C@H]1O ZINC001190634014 781881167 /nfs/dbraw/zinc/88/11/67/781881167.db2.gz QDDUOFMMHQNDDG-GHMZBOCLSA-N 1 2 285.344 -1.537 20 0 CAADLO COCCC(=O)N[C@@H]1C[N@@H+](CC(=O)NC2CC2)C[C@H]1O ZINC001190634014 781881172 /nfs/dbraw/zinc/88/11/72/781881172.db2.gz QDDUOFMMHQNDDG-GHMZBOCLSA-N 1 2 285.344 -1.537 20 0 CAADLO COCC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1O ZINC001190639116 781881383 /nfs/dbraw/zinc/88/13/83/781881383.db2.gz NTNFYJFVLMSIQL-IWSPIJDZSA-N 1 2 285.300 -2.401 20 0 CAADLO COCC(=O)N[C@@H]1C[N@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1O ZINC001190639116 781881389 /nfs/dbraw/zinc/88/13/89/781881389.db2.gz NTNFYJFVLMSIQL-IWSPIJDZSA-N 1 2 285.300 -2.401 20 0 CAADLO CC[C@@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)COC)C1 ZINC001190645956 781881422 /nfs/dbraw/zinc/88/14/22/781881422.db2.gz SWNRXNPLVGUEAJ-HRDYMLBCSA-N 1 2 259.306 -1.942 20 0 CAADLO CC[C@@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)COC)C1 ZINC001190645956 781881428 /nfs/dbraw/zinc/88/14/28/781881428.db2.gz SWNRXNPLVGUEAJ-HRDYMLBCSA-N 1 2 259.306 -1.942 20 0 CAADLO COCC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCN(C)C2=O)C[C@H]1O ZINC001190645102 781881844 /nfs/dbraw/zinc/88/18/44/781881844.db2.gz FRTIUZGIVNUNEG-OPRDCNLKSA-N 1 2 271.317 -1.975 20 0 CAADLO COCC(=O)N[C@@H]1C[N@H+]([C@@H]2CCN(C)C2=O)C[C@H]1O ZINC001190645102 781881856 /nfs/dbraw/zinc/88/18/56/781881856.db2.gz FRTIUZGIVNUNEG-OPRDCNLKSA-N 1 2 271.317 -1.975 20 0 CAADLO CCCC[C@@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)COC)C1 ZINC001190645134 781882058 /nfs/dbraw/zinc/88/20/58/781882058.db2.gz GFWMYIQJVSHDMG-OUAUKWLOSA-N 1 2 287.360 -1.162 20 0 CAADLO CCCC[C@@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)COC)C1 ZINC001190645134 781882065 /nfs/dbraw/zinc/88/20/65/781882065.db2.gz GFWMYIQJVSHDMG-OUAUKWLOSA-N 1 2 287.360 -1.162 20 0 CAADLO CC(=O)NCC(=O)N[C@@H]1C[N@H+](Cc2cnoc2C)C[C@H]1O ZINC001190709299 781882358 /nfs/dbraw/zinc/88/23/58/781882358.db2.gz HSDZBMRGDNDFSV-VXGBXAGGSA-N 1 2 296.327 -1.220 20 0 CAADLO CC(=O)NCC(=O)N[C@@H]1C[N@@H+](Cc2cnoc2C)C[C@H]1O ZINC001190709299 781882364 /nfs/dbraw/zinc/88/23/64/781882364.db2.gz HSDZBMRGDNDFSV-VXGBXAGGSA-N 1 2 296.327 -1.220 20 0 CAADLO COCC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)NC2CC2)C[C@H]1O ZINC001190651216 781882496 /nfs/dbraw/zinc/88/24/96/781882496.db2.gz FPNBEFFIECLLEN-FBIMIBRVSA-N 1 2 285.344 -1.539 20 0 CAADLO COCC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)NC2CC2)C[C@H]1O ZINC001190651216 781882502 /nfs/dbraw/zinc/88/25/02/781882502.db2.gz FPNBEFFIECLLEN-FBIMIBRVSA-N 1 2 285.344 -1.539 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)COC)C1 ZINC001190646175 781882583 /nfs/dbraw/zinc/88/25/83/781882583.db2.gz XZRWMNJOOGGURO-IWSPIJDZSA-N 1 2 259.306 -2.071 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)COC)C1 ZINC001190646175 781882587 /nfs/dbraw/zinc/88/25/87/781882587.db2.gz XZRWMNJOOGGURO-IWSPIJDZSA-N 1 2 259.306 -2.071 20 0 CAADLO CC(=O)NCC(=O)N[C@@H]1C[N@H+](CC(=O)NC2CC2)C[C@H]1O ZINC001190709599 781882595 /nfs/dbraw/zinc/88/25/95/781882595.db2.gz SOYPBPBFXDLRKB-GHMZBOCLSA-N 1 2 298.343 -2.438 20 0 CAADLO CC(=O)NCC(=O)N[C@@H]1C[N@@H+](CC(=O)NC2CC2)C[C@H]1O ZINC001190709599 781882599 /nfs/dbraw/zinc/88/25/99/781882599.db2.gz SOYPBPBFXDLRKB-GHMZBOCLSA-N 1 2 298.343 -2.438 20 0 CAADLO CCN(C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)COC)C1)C1CC1 ZINC001190650871 781882983 /nfs/dbraw/zinc/88/29/83/781882983.db2.gz COHPIOBSWRDPDP-VXGBXAGGSA-N 1 2 299.371 -1.195 20 0 CAADLO CCN(C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)COC)C1)C1CC1 ZINC001190650871 781882990 /nfs/dbraw/zinc/88/29/90/781882990.db2.gz COHPIOBSWRDPDP-VXGBXAGGSA-N 1 2 299.371 -1.195 20 0 CAADLO CC(=O)NCC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(N)=O)C[C@H]1O ZINC001190709373 781883612 /nfs/dbraw/zinc/88/36/12/781883612.db2.gz KHWJBSRGTBICIU-NBEYISGCSA-N 1 2 272.305 -2.842 20 0 CAADLO CC(=O)NCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(N)=O)C[C@H]1O ZINC001190709373 781883619 /nfs/dbraw/zinc/88/36/19/781883619.db2.gz KHWJBSRGTBICIU-NBEYISGCSA-N 1 2 272.305 -2.842 20 0 CAADLO NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCc1nnc[nH]1)C2 ZINC001110431071 781887850 /nfs/dbraw/zinc/88/78/50/781887850.db2.gz ZWYCJAPWNIXFRS-BBBLOLIVSA-N 1 2 292.343 -1.056 20 0 CAADLO NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCc1nnc[nH]1)C2 ZINC001110431071 781887858 /nfs/dbraw/zinc/88/78/58/781887858.db2.gz ZWYCJAPWNIXFRS-BBBLOLIVSA-N 1 2 292.343 -1.056 20 0 CAADLO CCOCC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1O ZINC001190842491 781888607 /nfs/dbraw/zinc/88/86/07/781888607.db2.gz ISWQHAVXIIAYNZ-GHMZBOCLSA-N 1 2 285.344 -1.584 20 0 CAADLO CCOCC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1O ZINC001190842491 781888616 /nfs/dbraw/zinc/88/86/16/781888616.db2.gz ISWQHAVXIIAYNZ-GHMZBOCLSA-N 1 2 285.344 -1.584 20 0 CAADLO CC(C)=CC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(N)=O)C[C@H]1O ZINC001190820702 781889043 /nfs/dbraw/zinc/88/90/43/781889043.db2.gz CCQRLAWQCHQFQS-IVZWLZJFSA-N 1 2 255.318 -1.012 20 0 CAADLO CC(C)=CC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(N)=O)C[C@H]1O ZINC001190820702 781889047 /nfs/dbraw/zinc/88/90/47/781889047.db2.gz CCQRLAWQCHQFQS-IVZWLZJFSA-N 1 2 255.318 -1.012 20 0 CAADLO CCOCC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCN(C)C2=O)C[C@H]1O ZINC001190830396 781889667 /nfs/dbraw/zinc/88/96/67/781889667.db2.gz BQMXKRJPZGKIPC-GMTAPVOTSA-N 1 2 285.344 -1.585 20 0 CAADLO CCOCC(=O)N[C@@H]1C[N@H+]([C@@H]2CCN(C)C2=O)C[C@H]1O ZINC001190830396 781889672 /nfs/dbraw/zinc/88/96/72/781889672.db2.gz BQMXKRJPZGKIPC-GMTAPVOTSA-N 1 2 285.344 -1.585 20 0 CAADLO CCOCC(=O)N[C@@H]1C[N@@H+]([C@H]2CCN(C)C2=O)C[C@H]1O ZINC001190830397 781889688 /nfs/dbraw/zinc/88/96/88/781889688.db2.gz BQMXKRJPZGKIPC-OUAUKWLOSA-N 1 2 285.344 -1.585 20 0 CAADLO CCOCC(=O)N[C@@H]1C[N@H+]([C@H]2CCN(C)C2=O)C[C@H]1O ZINC001190830397 781889695 /nfs/dbraw/zinc/88/96/95/781889695.db2.gz BQMXKRJPZGKIPC-OUAUKWLOSA-N 1 2 285.344 -1.585 20 0 CAADLO CNC(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C=C(C)C)C1 ZINC001190842515 781890747 /nfs/dbraw/zinc/89/07/47/781890747.db2.gz JXNMYBLZCWBMLF-NXEZZACHSA-N 1 2 255.318 -1.140 20 0 CAADLO CNC(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C=C(C)C)C1 ZINC001190842515 781890755 /nfs/dbraw/zinc/89/07/55/781890755.db2.gz JXNMYBLZCWBMLF-NXEZZACHSA-N 1 2 255.318 -1.140 20 0 CAADLO CCOCC(=O)N[C@@H]1C[N@@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1O ZINC001190851355 781891555 /nfs/dbraw/zinc/89/15/55/781891555.db2.gz RNOBSXHVSXRGMB-KXUCPTDWSA-N 1 2 299.327 -2.011 20 0 CAADLO CCOCC(=O)N[C@@H]1C[N@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1O ZINC001190851355 781891561 /nfs/dbraw/zinc/89/15/61/781891561.db2.gz RNOBSXHVSXRGMB-KXUCPTDWSA-N 1 2 299.327 -2.011 20 0 CAADLO CCOCC(=O)N[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@H]1O ZINC001190851300 781891753 /nfs/dbraw/zinc/89/17/53/781891753.db2.gz PBWMVEILVACCNC-KXUCPTDWSA-N 1 2 271.317 -1.927 20 0 CAADLO CCOCC(=O)N[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@H]1O ZINC001190851300 781891762 /nfs/dbraw/zinc/89/17/62/781891762.db2.gz PBWMVEILVACCNC-KXUCPTDWSA-N 1 2 271.317 -1.927 20 0 CAADLO CCOCC(=O)N[C@@H]1C[N@@H+]([C@H]2CCN(CC)C2=O)C[C@H]1O ZINC001190861049 781891896 /nfs/dbraw/zinc/89/18/96/781891896.db2.gz UACSSAIVARGCGY-GRYCIOLGSA-N 1 2 299.371 -1.195 20 0 CAADLO CCOCC(=O)N[C@@H]1C[N@H+]([C@H]2CCN(CC)C2=O)C[C@H]1O ZINC001190861049 781891906 /nfs/dbraw/zinc/89/19/06/781891906.db2.gz UACSSAIVARGCGY-GRYCIOLGSA-N 1 2 299.371 -1.195 20 0 CAADLO CSCCC(=O)N[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@H]1O ZINC001190961479 781892473 /nfs/dbraw/zinc/89/24/73/781892473.db2.gz LPOUEDSLXJLZNU-KXUCPTDWSA-N 1 2 287.385 -1.211 20 0 CAADLO CSCCC(=O)N[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@H]1O ZINC001190961479 781892479 /nfs/dbraw/zinc/89/24/79/781892479.db2.gz LPOUEDSLXJLZNU-KXUCPTDWSA-N 1 2 287.385 -1.211 20 0 CAADLO CC[C@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CSC)C1 ZINC001190914591 781892626 /nfs/dbraw/zinc/89/26/26/781892626.db2.gz VXXCIVFDUIKRNP-IWSPIJDZSA-N 1 2 275.374 -1.225 20 0 CAADLO CC[C@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)CSC)C1 ZINC001190914591 781892630 /nfs/dbraw/zinc/89/26/30/781892630.db2.gz VXXCIVFDUIKRNP-IWSPIJDZSA-N 1 2 275.374 -1.225 20 0 CAADLO CSCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)N(C)C)C[C@H]1O ZINC001190913903 781892851 /nfs/dbraw/zinc/89/28/51/781892851.db2.gz MXTOFNJVIUGZOI-IVZWLZJFSA-N 1 2 289.401 -1.013 20 0 CAADLO CSCC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)N(C)C)C[C@H]1O ZINC001190913903 781892858 /nfs/dbraw/zinc/89/28/58/781892858.db2.gz MXTOFNJVIUGZOI-IVZWLZJFSA-N 1 2 289.401 -1.013 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CNC(N)=O)C1 ZINC001190968514 781893159 /nfs/dbraw/zinc/89/31/59/781893159.db2.gz IAKGBKFQSQAOSQ-FSDSQADBSA-N 1 2 273.293 -3.310 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)CNC(N)=O)C1 ZINC001190968514 781893162 /nfs/dbraw/zinc/89/31/62/781893162.db2.gz IAKGBKFQSQAOSQ-FSDSQADBSA-N 1 2 273.293 -3.310 20 0 CAADLO CSCC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)N(C)C)C[C@H]1O ZINC001190913904 781893398 /nfs/dbraw/zinc/89/33/98/781893398.db2.gz MXTOFNJVIUGZOI-OPRDCNLKSA-N 1 2 289.401 -1.013 20 0 CAADLO CSCC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)N(C)C)C[C@H]1O ZINC001190913904 781893409 /nfs/dbraw/zinc/89/34/09/781893409.db2.gz MXTOFNJVIUGZOI-OPRDCNLKSA-N 1 2 289.401 -1.013 20 0 CAADLO CSCCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(N)=O)C[C@H]1O ZINC001190930426 781893726 /nfs/dbraw/zinc/89/37/26/781893726.db2.gz SUCXMUDKVHBMRF-DJLDLDEBSA-N 1 2 275.374 -1.225 20 0 CAADLO CSCCC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(N)=O)C[C@H]1O ZINC001190930426 781893736 /nfs/dbraw/zinc/89/37/36/781893736.db2.gz SUCXMUDKVHBMRF-DJLDLDEBSA-N 1 2 275.374 -1.225 20 0 CAADLO CSCCC(=O)N[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]1O ZINC001190961150 781893752 /nfs/dbraw/zinc/89/37/52/781893752.db2.gz FDDKRRKQLXWHAE-NXEZZACHSA-N 1 2 289.401 -1.011 20 0 CAADLO CSCCC(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1O ZINC001190961150 781893761 /nfs/dbraw/zinc/89/37/61/781893761.db2.gz FDDKRRKQLXWHAE-NXEZZACHSA-N 1 2 289.401 -1.011 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CNC(N)=O)C1 ZINC001190968815 781893941 /nfs/dbraw/zinc/89/39/41/781893941.db2.gz IAKGBKFQSQAOSQ-RRKCRQDMSA-N 1 2 273.293 -3.310 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)CNC(N)=O)C1 ZINC001190968815 781893948 /nfs/dbraw/zinc/89/39/48/781893948.db2.gz IAKGBKFQSQAOSQ-RRKCRQDMSA-N 1 2 273.293 -3.310 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CNC(N)=O)C1 ZINC001190978264 781895239 /nfs/dbraw/zinc/89/52/39/781895239.db2.gz UGEQMLHCZLPRRO-XLPZGREQSA-N 1 2 287.320 -3.050 20 0 CAADLO CNC(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CNC(N)=O)C1 ZINC001190978264 781895241 /nfs/dbraw/zinc/89/52/41/781895241.db2.gz UGEQMLHCZLPRRO-XLPZGREQSA-N 1 2 287.320 -3.050 20 0 CAADLO NC(=O)NCC(=O)N[C@@H]1C[N@H+](Cc2cccnc2)C[C@H]1O ZINC001190952223 781895272 /nfs/dbraw/zinc/89/52/72/781895272.db2.gz DXWJJMLTUDBAKD-GHMZBOCLSA-N 1 2 293.327 -1.589 20 0 CAADLO NC(=O)NCC(=O)N[C@@H]1C[N@@H+](Cc2cccnc2)C[C@H]1O ZINC001190952223 781895280 /nfs/dbraw/zinc/89/52/80/781895280.db2.gz DXWJJMLTUDBAKD-GHMZBOCLSA-N 1 2 293.327 -1.589 20 0 CAADLO CN1CC[C@@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)CNC(N)=O)C2)C1=O ZINC001190978145 781895805 /nfs/dbraw/zinc/89/58/05/781895805.db2.gz SUPMZECZIRFBEU-IWSPIJDZSA-N 1 2 299.331 -2.953 20 0 CAADLO CN1CC[C@@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)CNC(N)=O)C2)C1=O ZINC001190978145 781895813 /nfs/dbraw/zinc/89/58/13/781895813.db2.gz SUPMZECZIRFBEU-IWSPIJDZSA-N 1 2 299.331 -2.953 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CNC(N)=O)C1 ZINC001190978261 781896056 /nfs/dbraw/zinc/89/60/56/781896056.db2.gz UGEQMLHCZLPRRO-BWZBUEFSSA-N 1 2 287.320 -3.050 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CNC(N)=O)C1 ZINC001190978261 781896065 /nfs/dbraw/zinc/89/60/65/781896065.db2.gz UGEQMLHCZLPRRO-BWZBUEFSSA-N 1 2 287.320 -3.050 20 0 CAADLO CC(C)C(=O)N[C@@H]1C[N@H+](CCNS(C)(=O)=O)C[C@H]1O ZINC001191041561 781896724 /nfs/dbraw/zinc/89/67/24/781896724.db2.gz GSOVDJVHUPLEAT-NXEZZACHSA-N 1 2 293.389 -1.647 20 0 CAADLO CC(C)C(=O)N[C@@H]1C[N@@H+](CCNS(C)(=O)=O)C[C@H]1O ZINC001191041561 781896730 /nfs/dbraw/zinc/89/67/30/781896730.db2.gz GSOVDJVHUPLEAT-NXEZZACHSA-N 1 2 293.389 -1.647 20 0 CAADLO NC(=O)NCC(=O)N[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@H]1O ZINC001190952660 781896842 /nfs/dbraw/zinc/89/68/42/781896842.db2.gz NTJVZJMGOVUDBG-GJMOJQLCSA-N 1 2 285.304 -3.296 20 0 CAADLO NC(=O)NCC(=O)N[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@H]1O ZINC001190952660 781896845 /nfs/dbraw/zinc/89/68/45/781896845.db2.gz NTJVZJMGOVUDBG-GJMOJQLCSA-N 1 2 285.304 -3.296 20 0 CAADLO CN(C)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CNC(N)=O)C1 ZINC001190952652 781896916 /nfs/dbraw/zinc/89/69/16/781896916.db2.gz NMSNNOAULWXBNW-HTQZYQBOSA-N 1 2 287.320 -3.096 20 0 CAADLO CN(C)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CNC(N)=O)C1 ZINC001190952652 781896920 /nfs/dbraw/zinc/89/69/20/781896920.db2.gz NMSNNOAULWXBNW-HTQZYQBOSA-N 1 2 287.320 -3.096 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCn2cccn2)C1 ZINC001191096573 781898588 /nfs/dbraw/zinc/89/85/88/781898588.db2.gz LKBPUZVCAFUHNF-GMTAPVOTSA-N 1 2 295.343 -1.692 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCn2cccn2)C1 ZINC001191096573 781898597 /nfs/dbraw/zinc/89/85/97/781898597.db2.gz LKBPUZVCAFUHNF-GMTAPVOTSA-N 1 2 295.343 -1.692 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCn2cccn2)C1 ZINC001191096574 781898717 /nfs/dbraw/zinc/89/87/17/781898717.db2.gz LKBPUZVCAFUHNF-HBNTYKKESA-N 1 2 295.343 -1.692 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCn2cccn2)C1 ZINC001191096574 781898722 /nfs/dbraw/zinc/89/87/22/781898722.db2.gz LKBPUZVCAFUHNF-HBNTYKKESA-N 1 2 295.343 -1.692 20 0 CAADLO C[C@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCn2cncn2)C1 ZINC001191120657 781899661 /nfs/dbraw/zinc/89/96/61/781899661.db2.gz GRSHXIQZIKLOKM-OPRDCNLKSA-N 1 2 296.331 -2.297 20 0 CAADLO C[C@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCn2cncn2)C1 ZINC001191120657 781899669 /nfs/dbraw/zinc/89/96/69/781899669.db2.gz GRSHXIQZIKLOKM-OPRDCNLKSA-N 1 2 296.331 -2.297 20 0 CAADLO CC(=O)N(C)CC(=O)N[C@@H]1C[N@H+]([C@H](C)C(N)=O)C[C@H]1O ZINC001191185155 781900804 /nfs/dbraw/zinc/90/08/04/781900804.db2.gz DHZWUUZUKXZUOY-SZEHBUNVSA-N 1 2 286.332 -2.500 20 0 CAADLO CC(=O)N(C)CC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(N)=O)C[C@H]1O ZINC001191185155 781900811 /nfs/dbraw/zinc/90/08/11/781900811.db2.gz DHZWUUZUKXZUOY-SZEHBUNVSA-N 1 2 286.332 -2.500 20 0 CAADLO CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)COCC2CC2)C1 ZINC001191300296 781903955 /nfs/dbraw/zinc/90/39/55/781903955.db2.gz KCXWIGIIBVSTBO-YUSALJHKSA-N 1 2 299.371 -1.291 20 0 CAADLO CNC(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)COCC2CC2)C1 ZINC001191300296 781903962 /nfs/dbraw/zinc/90/39/62/781903962.db2.gz KCXWIGIIBVSTBO-YUSALJHKSA-N 1 2 299.371 -1.291 20 0 CAADLO CC[C@@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)COCC2CC2)C1 ZINC001191293678 781905160 /nfs/dbraw/zinc/90/51/60/781905160.db2.gz GGKILPIUGDDNQN-GRYCIOLGSA-N 1 2 299.371 -1.162 20 0 CAADLO CC[C@@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)COCC2CC2)C1 ZINC001191293678 781905165 /nfs/dbraw/zinc/90/51/65/781905165.db2.gz GGKILPIUGDDNQN-GRYCIOLGSA-N 1 2 299.371 -1.162 20 0 CAADLO COCCCC(=O)N[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]1O ZINC001191328044 781905494 /nfs/dbraw/zinc/90/54/94/781905494.db2.gz GAKFECVYQGUXRI-GHMZBOCLSA-N 1 2 287.360 -1.338 20 0 CAADLO COCCCC(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1O ZINC001191328044 781905501 /nfs/dbraw/zinc/90/55/01/781905501.db2.gz GAKFECVYQGUXRI-GHMZBOCLSA-N 1 2 287.360 -1.338 20 0 CAADLO C[C@@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CNC(=O)C2CC2)C1 ZINC001191314265 781905572 /nfs/dbraw/zinc/90/55/72/781905572.db2.gz BSVJIZIWQRAGNA-FXBDTBDDSA-N 1 2 298.343 -2.452 20 0 CAADLO C[C@@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)CNC(=O)C2CC2)C1 ZINC001191314265 781905580 /nfs/dbraw/zinc/90/55/80/781905580.db2.gz BSVJIZIWQRAGNA-FXBDTBDDSA-N 1 2 298.343 -2.452 20 0 CAADLO O=C(CNC(=O)C1CC1)N[C@@H]1C[N@@H+](CCF)C[C@H]1O ZINC001191314792 781905712 /nfs/dbraw/zinc/90/57/12/781905712.db2.gz KQTFTMWSIJAILE-NXEZZACHSA-N 1 2 273.308 -1.357 20 0 CAADLO O=C(CNC(=O)C1CC1)N[C@@H]1C[N@H+](CCF)C[C@H]1O ZINC001191314792 781905716 /nfs/dbraw/zinc/90/57/16/781905716.db2.gz KQTFTMWSIJAILE-NXEZZACHSA-N 1 2 273.308 -1.357 20 0 CAADLO O=S1(=O)CCC(O)(C[N@@H+]2C[C@@H](O)[C@@H](O)C2)CC1 ZINC001191401442 781906457 /nfs/dbraw/zinc/90/64/57/781906457.db2.gz YKQIYYAOHAWWSZ-DTORHVGOSA-N 1 2 265.331 -2.037 20 0 CAADLO O=S1(=O)CCC(O)(C[N@H+]2C[C@@H](O)[C@@H](O)C2)CC1 ZINC001191401442 781906464 /nfs/dbraw/zinc/90/64/64/781906464.db2.gz YKQIYYAOHAWWSZ-DTORHVGOSA-N 1 2 265.331 -2.037 20 0 CAADLO COCCCC(=O)N[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@H]1O ZINC001191328361 781907104 /nfs/dbraw/zinc/90/71/04/781907104.db2.gz PSDCYHRQNAWEIJ-OUAUKWLOSA-N 1 2 285.344 -1.537 20 0 CAADLO COCCCC(=O)N[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@H]1O ZINC001191328361 781907111 /nfs/dbraw/zinc/90/71/11/781907111.db2.gz PSDCYHRQNAWEIJ-OUAUKWLOSA-N 1 2 285.344 -1.537 20 0 CAADLO CO[C@H](C)C(=O)N[C@@H]1C[N@H+](CC(=O)N2CCCC2)C[C@H]1O ZINC001191422954 781907293 /nfs/dbraw/zinc/90/72/93/781907293.db2.gz DZGJQYUAVZFTPR-IJLUTSLNSA-N 1 2 299.371 -1.195 20 0 CAADLO CO[C@H](C)C(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCCC2)C[C@H]1O ZINC001191422954 781907296 /nfs/dbraw/zinc/90/72/96/781907296.db2.gz DZGJQYUAVZFTPR-IJLUTSLNSA-N 1 2 299.371 -1.195 20 0 CAADLO CC[C@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCOC)C1 ZINC001191334560 781907415 /nfs/dbraw/zinc/90/74/15/781907415.db2.gz DEAGKLKQZSKGND-GMTAPVOTSA-N 1 2 287.360 -1.162 20 0 CAADLO CC[C@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCOC)C1 ZINC001191334560 781907420 /nfs/dbraw/zinc/90/74/20/781907420.db2.gz DEAGKLKQZSKGND-GMTAPVOTSA-N 1 2 287.360 -1.162 20 0 CAADLO CO[C@H](C)C(=O)N[C@@H]1C[N@H+](CCNC(=O)C2CC2)C[C@H]1O ZINC001191431956 781908717 /nfs/dbraw/zinc/90/87/17/781908717.db2.gz CYVPNOSVASCCAR-YUSALJHKSA-N 1 2 299.371 -1.291 20 0 CAADLO CO[C@H](C)C(=O)N[C@@H]1C[N@@H+](CCNC(=O)C2CC2)C[C@H]1O ZINC001191431956 781908722 /nfs/dbraw/zinc/90/87/22/781908722.db2.gz CYVPNOSVASCCAR-YUSALJHKSA-N 1 2 299.371 -1.291 20 0 CAADLO C[N@@H+]1CCO[C@@H](CNC(=O)c2ncc[nH]c2=O)C1 ZINC001191512211 781910735 /nfs/dbraw/zinc/91/07/35/781910735.db2.gz BSFBHBODCNDUKU-QMMMGPOBSA-N 1 2 252.274 -1.170 20 0 CAADLO C[N@H+]1CCO[C@@H](CNC(=O)c2ncc[nH]c2=O)C1 ZINC001191512211 781910745 /nfs/dbraw/zinc/91/07/45/781910745.db2.gz BSFBHBODCNDUKU-QMMMGPOBSA-N 1 2 252.274 -1.170 20 0 CAADLO CCCOCC(=O)N[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@H]1O ZINC001191573415 781912929 /nfs/dbraw/zinc/91/29/29/781912929.db2.gz LTFOCEMCYOUABW-OUAUKWLOSA-N 1 2 285.344 -1.537 20 0 CAADLO CCCOCC(=O)N[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@H]1O ZINC001191573415 781912937 /nfs/dbraw/zinc/91/29/37/781912937.db2.gz LTFOCEMCYOUABW-OUAUKWLOSA-N 1 2 285.344 -1.537 20 0 CAADLO CCCOCC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)NC)C[C@H]1O ZINC001191581535 781912968 /nfs/dbraw/zinc/91/29/68/781912968.db2.gz YMFVNVQEDYDUHC-GMTAPVOTSA-N 1 2 287.360 -1.291 20 0 CAADLO CCCOCC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)NC)C[C@H]1O ZINC001191581535 781912975 /nfs/dbraw/zinc/91/29/75/781912975.db2.gz YMFVNVQEDYDUHC-GMTAPVOTSA-N 1 2 287.360 -1.291 20 0 CAADLO CCCOCC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@H]1O ZINC001191573413 781913284 /nfs/dbraw/zinc/91/32/84/781913284.db2.gz LTFOCEMCYOUABW-GMTAPVOTSA-N 1 2 285.344 -1.537 20 0 CAADLO CCCOCC(=O)N[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@H]1O ZINC001191573413 781913291 /nfs/dbraw/zinc/91/32/91/781913291.db2.gz LTFOCEMCYOUABW-GMTAPVOTSA-N 1 2 285.344 -1.537 20 0 CAADLO CNC(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)COC(C)C)C1 ZINC001191573668 781913336 /nfs/dbraw/zinc/91/33/36/781913336.db2.gz QWMAHFHXIHCVBN-HBNTYKKESA-N 1 2 287.360 -1.293 20 0 CAADLO CNC(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)COC(C)C)C1 ZINC001191573668 781913343 /nfs/dbraw/zinc/91/33/43/781913343.db2.gz QWMAHFHXIHCVBN-HBNTYKKESA-N 1 2 287.360 -1.293 20 0 CAADLO CC(C)OCC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCCNC2=O)C[C@H]1O ZINC001191565003 781913802 /nfs/dbraw/zinc/91/38/02/781913802.db2.gz OTUKISAASJUILJ-IJLUTSLNSA-N 1 2 299.371 -1.149 20 0 CAADLO CC(C)OCC(=O)N[C@@H]1C[N@H+]([C@@H]2CCCNC2=O)C[C@H]1O ZINC001191565003 781913811 /nfs/dbraw/zinc/91/38/11/781913811.db2.gz OTUKISAASJUILJ-IJLUTSLNSA-N 1 2 299.371 -1.149 20 0 CAADLO CCCOCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC)C[C@H]1O ZINC001191581536 781913901 /nfs/dbraw/zinc/91/39/01/781913901.db2.gz YMFVNVQEDYDUHC-HBNTYKKESA-N 1 2 287.360 -1.291 20 0 CAADLO CCCOCC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)NC)C[C@H]1O ZINC001191581536 781913907 /nfs/dbraw/zinc/91/39/07/781913907.db2.gz YMFVNVQEDYDUHC-HBNTYKKESA-N 1 2 287.360 -1.291 20 0 CAADLO CO[C@H](C)CC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1O ZINC001191651216 781915311 /nfs/dbraw/zinc/91/53/11/781915311.db2.gz CUYVZGLBVCLPMO-IJLUTSLNSA-N 1 2 299.371 -1.195 20 0 CAADLO CO[C@H](C)CC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1O ZINC001191651216 781915315 /nfs/dbraw/zinc/91/53/15/781915315.db2.gz CUYVZGLBVCLPMO-IJLUTSLNSA-N 1 2 299.371 -1.195 20 0 CAADLO CCNC(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2=COCCC2)C1 ZINC001191651891 781915410 /nfs/dbraw/zinc/91/54/10/781915410.db2.gz LYIJBMZWFWPGAE-VXGBXAGGSA-N 1 2 297.355 -1.022 20 0 CAADLO CCNC(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C2=COCCC2)C1 ZINC001191651891 781915413 /nfs/dbraw/zinc/91/54/13/781915413.db2.gz LYIJBMZWFWPGAE-VXGBXAGGSA-N 1 2 297.355 -1.022 20 0 CAADLO CCNC(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H](C)OC)C1 ZINC001191657976 781916437 /nfs/dbraw/zinc/91/64/37/781916437.db2.gz CPVZXRRGKFRQGO-GMTAPVOTSA-N 1 2 287.360 -1.291 20 0 CAADLO CCNC(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H](C)OC)C1 ZINC001191657976 781916443 /nfs/dbraw/zinc/91/64/43/781916443.db2.gz CPVZXRRGKFRQGO-GMTAPVOTSA-N 1 2 287.360 -1.291 20 0 CAADLO CO[C@H](C)CC(=O)N[C@@H]1C[N@H+](CC(=O)NC2CC2)C[C@H]1O ZINC001191658247 781916825 /nfs/dbraw/zinc/91/68/25/781916825.db2.gz DFCBONLNYWEFNJ-YUSALJHKSA-N 1 2 299.371 -1.149 20 0 CAADLO CO[C@H](C)CC(=O)N[C@@H]1C[N@@H+](CC(=O)NC2CC2)C[C@H]1O ZINC001191658247 781916828 /nfs/dbraw/zinc/91/68/28/781916828.db2.gz DFCBONLNYWEFNJ-YUSALJHKSA-N 1 2 299.371 -1.149 20 0 CAADLO CCOCCC(=O)N[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]1O ZINC001191705330 781916878 /nfs/dbraw/zinc/91/68/78/781916878.db2.gz MVWGZCJSGLCMGB-GHMZBOCLSA-N 1 2 287.360 -1.338 20 0 CAADLO CCOCCC(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1O ZINC001191705330 781916888 /nfs/dbraw/zinc/91/68/88/781916888.db2.gz MVWGZCJSGLCMGB-GHMZBOCLSA-N 1 2 287.360 -1.338 20 0 CAADLO CO[C@H](C)CC(=O)N[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]1O ZINC001191659449 781916942 /nfs/dbraw/zinc/91/69/42/781916942.db2.gz NIVOCSLDTXIXKH-GMTAPVOTSA-N 1 2 287.360 -1.339 20 0 CAADLO CO[C@H](C)CC(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1O ZINC001191659449 781916952 /nfs/dbraw/zinc/91/69/52/781916952.db2.gz NIVOCSLDTXIXKH-GMTAPVOTSA-N 1 2 287.360 -1.339 20 0 CAADLO CCNC(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@H](C)OC)C1 ZINC001191657977 781917857 /nfs/dbraw/zinc/91/78/57/781917857.db2.gz CPVZXRRGKFRQGO-HBNTYKKESA-N 1 2 287.360 -1.291 20 0 CAADLO CCNC(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C[C@H](C)OC)C1 ZINC001191657977 781917862 /nfs/dbraw/zinc/91/78/62/781917862.db2.gz CPVZXRRGKFRQGO-HBNTYKKESA-N 1 2 287.360 -1.291 20 0 CAADLO